COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131529	0	39	-2.0	-112.33	350.77	4.57	-107.76
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131529	1	39	-2.0	-112.28	350.80	4.58	-107.70
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131529	1	40	-1.0	-41.09	346.57	4.84	-36.25
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131530	0	36	-2.0	-115.24	335.33	3.80	-111.44
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131530	1	36	-2.0	-115.17	335.37	3.81	-111.36
COC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131530	1	37	-1.0	-52.41	333.53	3.89	-48.52
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCC2=C1	REAL300020131531	0	35	-2.0	-111.20	316.47	2.99	-108.21
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCC2=C1	REAL300020131531	1	36	-1.0	-45.35	314.67	3.08	-42.27
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCC2=C1	REAL300020131531	1	36	-1.0	-45.42	314.64	3.09	-42.33
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2CC1	REAL300020131532	0	39	-1.0	-45.26	334.82	5.70	-39.56
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2CC1	REAL300020131532	1	38	-2.0	-113.53	335.04	5.55	-107.98
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2CC1	REAL300020131532	1	39	-1.0	-45.35	334.79	5.70	-39.65
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL300020131533	0	30	-2.0	-118.94	289.05	3.41	-115.53
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL300020131533	1	30	-2.0	-118.95	289.09	3.42	-115.53
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[O-]	REAL300020131534	0	32	-3.0	-174.96	314.01	2.86	-172.10
O=[N+]([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[O-]	REAL300020131534	1	33	-2.0	-88.76	312.07	2.95	-85.81
O=[N+]([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[O-]	REAL300020131534	1	33	-2.0	-88.78	312.06	2.95	-85.83
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)N=C1	REAL300020131535	0	29	-2.0	-102.02	292.41	1.77	-100.25
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)N=C1	REAL300020131535	1	29	-2.0	-102.02	292.45	1.79	-100.23
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131536	0	31	-2.0	-107.07	301.38	3.54	-103.53
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131536	1	31	-2.0	-107.01	301.41	3.55	-103.46
N#CC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131536	1	32	-1.0	-47.49	299.50	3.63	-43.86
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131537	0	31	-2.0	-102.83	301.37	3.54	-99.29
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131537	1	31	-2.0	-102.86	301.40	3.55	-99.31
N#CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131537	1	32	-1.0	-42.57	299.37	3.63	-38.94
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1F	REAL300020131538	0	30	-2.0	-108.68	302.78	3.73	-104.95
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1F	REAL300020131538	1	30	-2.0	-108.66	302.82	3.74	-104.92
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131539	0	31	-2.0	-118.42	298.65	3.42	-115.00
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131539	1	31	-2.0	-118.39	298.68	3.42	-114.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Br	REAL300020131540	0	33	-2.0	-106.48	320.04	4.33	-102.15
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Br	REAL300020131540	1	34	-1.0	-42.24	318.19	4.43	-37.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Br	REAL300020131540	1	33	-2.0	-106.48	320.07	4.34	-102.14
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300020131541	0	30	-2.0	-110.14	297.04	3.84	-106.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300020131541	1	30	-2.0	-110.18	297.07	3.84	-106.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1NC(C)=O	REAL300020131542	0	41	-2.0	-128.43	364.63	1.45	-126.98
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1NC(C)=O	REAL300020131542	1	42	-1.0	-49.44	363.07	1.53	-47.91
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1NC(C)=O	REAL300020131542	1	42	-1.0	-49.35	363.10	1.54	-47.81
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020131543	0	34	-2.0	-103.78	326.54	2.93	-100.85
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020131543	1	35	-1.0	-40.70	324.59	3.03	-37.67
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020131543	1	35	-1.0	-40.64	324.61	3.03	-37.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131544	0	32	-3.0	-186.10	313.54	3.73	-182.37
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131544	1	33	-2.0	-92.47	311.56	3.83	-88.64
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131544	1	33	-2.0	-92.45	311.58	3.83	-88.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131544	1	32	-3.0	-186.06	313.58	3.74	-182.32
CC1=C(C)C(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1C	REAL300020131545	0	46	-1.0	-48.97	349.77	5.90	-43.07
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C	REAL300020131545	1	45	-2.0	-114.91	357.21	6.30	-108.61
CC1=C(C)C(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C	REAL300020131545	1	46	-1.0	-49.01	349.74	5.90	-43.11
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020131546	0	34	-2.0	-106.89	329.85	5.22	-101.67
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020131546	1	34	-2.0	-106.89	329.89	5.22	-101.67
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCCOC2=C1	REAL300020131547	0	39	-2.0	-113.09	343.37	3.09	-110.00
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCCOC2=C1	REAL300020131547	1	40	-1.0	-44.85	341.50	3.18	-41.67
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCCOC2=C1	REAL300020131547	1	40	-1.0	-44.78	341.52	3.18	-41.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020131548	0	35	-2.0	-109.88	324.76	4.34	-105.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020131548	1	35	-2.0	-109.88	324.80	4.35	-105.53
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020131548	1	36	-1.0	-40.55	322.87	4.43	-36.12
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300020131549	0	27	-2.0	-104.21	294.15	2.86	-101.35
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300020131549	1	27	-2.0	-104.19	294.19	2.88	-101.31
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020131550	0	36	-2.0	-107.56	340.28	5.65	-101.91
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020131550	1	36	-2.0	-107.58	340.31	5.67	-101.91
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131551	0	49	-1.0	-53.51	389.34	6.83	-46.68
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131551	1	48	-2.0	-111.82	386.88	7.14	-104.68
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131551	1	49	-1.0	-53.60	389.36	6.81	-46.79
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CCCCC2)C=C1	REAL300020131552	0	46	-2.0	-111.73	382.41	6.94	-104.79
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CCCCC2)C=C1	REAL300020131552	1	47	-1.0	-43.90	380.49	7.05	-36.85
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CCCCC2)C=C1	REAL300020131552	1	47	-1.0	-43.85	380.51	7.05	-36.80
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CCCCC2)C=C1	REAL300020131552	1	46	-2.0	-111.65	382.45	6.96	-104.69
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020131553	0	33	-2.0	-103.28	319.30	4.14	-99.14
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020131553	1	34	-1.0	-41.48	317.36	4.24	-37.24
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020131553	1	33	-2.0	-103.25	319.34	4.15	-99.10
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCCCC2=C1	REAL300020131554	0	40	-2.0	-114.97	343.26	5.63	-109.34
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCCCC2=C1	REAL300020131554	1	41	-1.0	-45.75	341.48	5.74	-40.01
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCCCC2=C1	REAL300020131554	1	41	-1.0	-45.74	341.51	5.74	-40.00
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131555	0	32	-3.0	-174.66	309.00	3.71	-170.95
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131555	1	33	-2.0	-95.99	306.99	3.81	-92.18
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131555	1	33	-2.0	-95.96	307.02	3.81	-92.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131555	1	32	-3.0	-174.60	309.03	3.72	-170.88
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131556	0	38	-2.0	-118.74	338.28	2.22	-116.52
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131556	1	38	-2.0	-118.68	338.32	2.23	-116.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020131557	0	38	-2.0	-110.86	339.27	2.35	-108.51
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020131557	1	39	-1.0	-45.13	337.34	2.45	-42.68
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020131557	1	39	-1.0	-45.10	337.36	2.45	-42.65
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCCC2=C1	REAL300020131558	0	37	-2.0	-115.07	326.10	5.04	-110.03
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCCC2=C1	REAL300020131558	1	38	-1.0	-45.13	324.14	5.15	-39.98
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCCC2=C1	REAL300020131558	1	38	-1.0	-45.10	324.17	5.15	-39.95
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131559	0	32	-2.0	-102.48	293.63	2.09	-100.39
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131559	1	32	-2.0	-102.42	293.67	2.10	-100.32
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020131560	0	30	-2.0	-102.34	312.46	4.12	-98.22
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300020131560	1	30	-2.0	-102.31	312.49	4.13	-98.18
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020131560	1	31	-1.0	-39.07	310.52	4.21	-34.86
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131561	0	32	-3.0	-189.88	309.01	3.70	-186.18
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131561	1	33	-2.0	-113.57	307.21	3.79	-109.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131561	1	32	-3.0	-189.81	309.05	3.71	-186.10
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131561	1	33	-2.0	-113.52	307.23	3.79	-109.73
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300020131562	0	30	-2.0	-101.19	293.24	3.26	-97.93
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300020131562	1	30	-2.0	-101.18	293.28	3.28	-97.90
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300020131562	1	31	-1.0	-38.98	291.31	3.36	-35.62
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1Cl	REAL300020131563	0	30	-2.0	-106.06	310.41	4.23	-101.83
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1Cl	REAL300020131563	1	30	-2.0	-106.04	310.45	4.23	-101.81
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020131564	0	33	-2.0	-107.48	319.28	4.15	-103.33
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020131564	1	33	-2.0	-107.46	319.31	4.16	-103.30
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020131564	1	34	-1.0	-45.97	317.51	4.25	-41.72
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131565	0	33	-2.0	-113.08	301.95	3.81	-109.27
CC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131565	1	34	-1.0	-45.06	300.19	3.91	-41.15
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131565	1	33	-2.0	-113.01	301.99	3.82	-109.19
O=S(=O)(C=CC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131566	0	35	-1.0	-43.56	312.25	4.48	-39.08
O=S(=O)(C=CC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131566	1	35	-1.0	-43.55	312.22	4.48	-39.07
O=S(=O)(C=CC1=CC=CC=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131566	1	34	-2.0	-111.84	312.46	4.32	-107.52
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL300020131567	0	33	-2.0	-113.16	305.16	4.57	-108.59
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300020131567	1	33	-2.0	-113.15	305.20	4.57	-108.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020131568	0	30	-2.0	-107.98	297.27	3.66	-104.32
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020131568	1	30	-2.0	-107.97	297.31	3.68	-104.29
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020131568	1	31	-1.0	-44.87	295.52	3.76	-41.11
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131569	0	35	-2.0	-110.50	323.30	3.63	-106.87
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131569	1	35	-2.0	-110.44	323.34	3.64	-106.80
CC(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131569	1	36	-1.0	-49.59	321.29	3.73	-45.86
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131570	0	36	-2.0	-111.79	317.45	4.58	-107.21
CC1=CC=C(C)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131570	1	37	-1.0	-42.38	313.27	4.85	-37.53
CC1=CC=C(C)C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131570	1	37	-1.0	-42.38	313.30	4.85	-37.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131571	0	36	-2.0	-114.38	318.96	4.35	-110.03
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131571	1	37	-1.0	-45.53	317.11	4.45	-41.08
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020131571	1	37	-1.0	-45.46	317.14	4.45	-41.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020131571	1	36	-2.0	-114.30	319.00	4.36	-109.94
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL300020131572	0	30	-2.0	-101.38	303.13	3.71	-97.67
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL300020131572	1	31	-1.0	-39.03	301.19	3.80	-35.23
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL300020131572	1	30	-2.0	-101.40	303.17	3.72	-97.68
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL300020131572	1	31	-1.0	-39.02	301.21	3.80	-35.22
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131573	0	35	-2.0	-121.81	321.81	3.55	-118.26
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131573	1	35	-2.0	-121.78	321.85	3.56	-118.22
CC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131573	1	36	-1.0	-56.02	320.01	3.64	-52.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020131574	0	36	-2.0	-111.27	317.45	4.57	-106.70
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020131574	1	37	-1.0	-42.62	313.28	4.86	-37.76
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020131574	1	37	-1.0	-42.59	313.25	4.86	-37.73
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131575	0	39	-2.0	-106.38	357.17	4.73	-101.65
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131575	1	39	-2.0	-106.35	357.21	4.75	-101.60
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1Cl	REAL300020131576	0	30	-2.0	-109.07	308.87	4.16	-104.91
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1Cl	REAL300020131576	1	30	-2.0	-109.02	308.91	4.18	-104.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020131577	0	36	-2.0	-108.75	336.06	3.89	-104.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020131577	1	36	-2.0	-108.74	336.09	3.90	-104.84
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020131577	1	37	-1.0	-52.86	334.19	3.99	-48.87
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131578	0	42	-2.0	-112.35	356.76	5.46	-106.89
CC(C)(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131578	1	43	-1.0	-44.27	354.83	5.56	-38.71
CC(C)(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131578	1	43	-1.0	-44.21	354.86	5.57	-38.64
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131578	1	42	-2.0	-112.34	356.80	5.47	-106.87
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131579	0	39	-2.0	-112.07	340.78	5.06	-107.01
CC(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131579	1	40	-1.0	-44.21	338.85	5.17	-39.04
CC(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131579	1	40	-1.0	-44.23	338.88	5.17	-39.06
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131580	0	42	-2.0	-111.77	359.23	5.73	-106.04
CCC(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131580	1	43	-1.0	-44.05	357.35	5.83	-38.22
CCC(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131580	1	43	-1.0	-44.03	357.37	5.84	-38.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131581	0	36	-3.0	-190.62	337.15	3.50	-187.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131581	1	36	-3.0	-190.60	337.19	3.51	-187.09
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131582	0	36	-3.0	-171.37	340.46	5.00	-166.37
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131582	1	37	-2.0	-93.94	338.46	5.09	-88.85
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131582	1	37	-2.0	-93.91	338.48	5.09	-88.82
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)S1	REAL300020131583	0	27	-2.0	-103.95	289.52	2.76	-101.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL300020131583	1	27	-2.0	-103.94	289.55	2.77	-101.17
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131584	0	39	-2.0	-111.65	344.94	5.36	-106.29
CCCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131584	1	40	-1.0	-44.09	343.02	5.46	-38.63
CCCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131584	1	40	-1.0	-44.08	343.05	5.46	-38.62
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131585	0	34	-2.0	-117.54	308.81	2.92	-114.62
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131585	1	34	-2.0	-117.48	308.85	2.94	-114.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131586	0	35	-3.0	-193.72	329.08	4.35	-189.37
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131586	1	36	-2.0	-92.37	323.04	4.33	-88.04
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131586	1	36	-2.0	-92.35	323.05	4.33	-88.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131586	1	35	-3.0	-193.69	329.12	4.36	-189.33
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131587	0	41	-2.0	-120.03	365.18	1.81	-118.22
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131587	1	41	-2.0	-120.06	365.21	1.82	-118.24
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1F	REAL300020131588	0	30	-2.0	-107.25	298.61	3.32	-103.93
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1F	REAL300020131588	1	30	-2.0	-107.25	298.64	3.33	-103.92
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1	REAL300020131589	0	30	-2.0	-102.73	314.01	4.17	-98.56
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1	REAL300020131589	1	30	-2.0	-102.79	314.05	4.19	-98.60
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1	REAL300020131589	1	31	-1.0	-40.20	312.11	4.25	-35.95
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020131590	0	30	-2.0	-111.55	293.68	3.71	-107.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020131590	1	30	-2.0	-111.56	293.71	3.71	-107.85
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020131591	0	30	-2.0	-107.92	301.84	3.77	-104.15
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020131591	1	30	-2.0	-107.94	301.88	3.78	-104.16
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020131591	1	31	-1.0	-44.82	300.09	3.86	-40.96
O=[N+]([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131592	0	32	-2.0	-108.10	308.76	3.82	-104.28
O=[N+]([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131592	1	32	-2.0	-108.12	308.80	3.83	-104.29
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131593	0	35	-2.0	-104.56	324.25	4.58	-99.98
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131593	1	35	-2.0	-104.54	324.29	4.58	-99.96
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020131594	0	32	-2.0	-102.14	321.21	4.19	-97.95
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020131594	1	32	-2.0	-102.09	321.25	4.21	-97.88
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CS1	REAL300020131595	0	27	-2.0	-109.62	272.48	2.15	-107.47
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CS1	REAL300020131595	1	27	-2.0	-109.59	272.51	2.16	-107.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131596	0	34	-2.0	-109.89	310.05	2.43	-107.46
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131596	1	35	-1.0	-45.10	308.12	2.54	-42.56
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131596	1	35	-1.0	-45.14	308.09	2.54	-42.60
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131597	0	32	-2.0	-122.18	301.64	4.55	-117.63
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131597	1	32	-2.0	-122.19	301.67	4.55	-117.64
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131598	0	32	-3.0	-180.36	322.08	4.28	-176.08
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131598	1	32	-3.0	-180.26	322.12	4.28	-175.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020131599	0	32	-3.0	-185.18	321.51	4.10	-181.08
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020131599	1	33	-2.0	-89.97	319.54	4.19	-85.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020131599	1	32	-3.0	-185.11	321.55	4.11	-181.00
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020131599	1	33	-2.0	-89.96	319.56	4.19	-85.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131600	0	33	-2.0	-112.46	301.95	3.82	-108.64
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131600	1	34	-1.0	-44.78	300.03	3.92	-40.86
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131600	1	34	-1.0	-44.76	300.06	3.92	-40.84
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131600	1	33	-2.0	-112.42	301.99	3.83	-108.59
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131601	0	37	-2.0	-109.69	331.89	3.37	-106.32
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131601	1	38	-1.0	-44.87	329.97	3.47	-41.40
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131601	1	38	-1.0	-44.88	329.95	3.46	-41.42
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020131602	0	30	-2.0	-107.75	292.45	3.27	-104.48
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020131602	1	30	-2.0	-107.73	292.49	3.29	-104.44
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020131603	0	30	-2.0	-108.34	286.95	3.21	-105.13
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020131603	1	30	-2.0	-108.29	286.99	3.22	-105.07
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020131603	1	31	-1.0	-45.93	285.19	3.30	-42.63
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL300020131604	0	30	-2.0	-102.15	293.37	3.28	-98.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL300020131604	1	30	-2.0	-102.13	293.41	3.29	-98.84
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131605	0	42	-2.0	-112.79	344.06	5.83	-106.96
CC1=CC(C)=C(C)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131605	1	43	-1.0	-48.47	336.42	5.47	-43.00
CC1=CC(C)=C(C)C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020131605	1	43	-1.0	-48.41	336.45	5.47	-42.94
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL300020131606	0	36	-2.0	-113.00	325.03	2.30	-110.70
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL300020131606	1	37	-1.0	-48.04	323.07	2.40	-45.64
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCOC2=C1	REAL300020131606	1	37	-1.0	-48.02	323.08	2.40	-45.62
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020131607	0	40	-1.0	-48.84	324.87	5.07	-43.77
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020131607	1	39	-2.0	-111.65	332.09	5.49	-106.16
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020131607	1	40	-1.0	-48.83	324.84	5.06	-43.77
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131608	0	45	-2.0	-113.14	372.24	6.24	-106.90
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131608	1	46	-1.0	-41.79	368.06	6.51	-35.28
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131608	1	46	-1.0	-41.72	368.10	6.51	-35.21
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131608	1	45	-2.0	-113.12	372.28	6.24	-106.88
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020131609	0	30	-2.0	-104.95	297.27	3.66	-101.29
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020131609	1	31	-1.0	-41.78	295.35	3.76	-38.02
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020131609	1	30	-2.0	-104.90	297.31	3.68	-101.22
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020131609	1	31	-1.0	-41.77	295.37	3.76	-38.01
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020131610	0	30	-2.0	-105.05	301.84	3.77	-101.28
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020131610	1	31	-1.0	-41.69	299.92	3.87	-37.82
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020131610	1	30	-2.0	-105.00	301.87	3.78	-101.22
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131611	0	32	-2.0	-99.23	308.78	3.81	-95.42
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131611	1	32	-2.0	-99.20	308.81	3.82	-95.38
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020131612	0	30	-2.0	-112.03	280.54	3.14	-108.89
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020131612	1	31	-1.0	-44.63	278.63	3.24	-41.39
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020131612	1	30	-2.0	-111.97	280.58	3.16	-108.81
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020131612	1	31	-1.0	-44.62	278.65	3.24	-41.38
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131613	0	37	-2.0	-116.85	336.61	2.04	-114.81
CC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131613	1	38	-1.0	-52.83	334.45	2.15	-50.68
CC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131613	1	38	-1.0	-52.81	334.47	2.15	-50.66
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131613	1	37	-2.0	-116.86	336.65	2.06	-114.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131614	0	30	-2.0	-111.15	294.37	2.94	-108.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131614	1	30	-2.0	-111.10	294.41	2.96	-108.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131615	0	38	-3.0	-187.12	341.40	5.01	-182.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131615	1	39	-2.0	-91.05	337.73	5.30	-85.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020131615	1	39	-2.0	-91.04	337.77	5.30	-85.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020131615	1	38	-3.0	-187.06	341.44	5.02	-182.04
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131616	0	34	-2.0	-110.42	325.54	3.46	-106.96
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131616	1	34	-2.0	-110.42	325.57	3.47	-106.95
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131617	0	33	-2.0	-106.23	317.33	4.54	-101.69
CC1=CC=C(Br)C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131617	1	34	-1.0	-38.51	313.14	4.81	-33.70
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131617	1	33	-2.0	-106.19	317.36	4.54	-101.65
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131618	0	32	-2.0	-112.85	318.35	5.07	-107.78
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131618	1	32	-2.0	-112.85	318.38	5.07	-107.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131619	0	32	-3.0	-183.62	314.48	3.77	-179.85
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131619	1	32	-3.0	-183.54	314.51	3.78	-179.76
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)SC(Cl)=C1	REAL300020131620	0	27	-2.0	-101.62	303.39	3.30	-98.32
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)SC(Cl)=C1	REAL300020131620	1	27	-2.0	-101.60	303.42	3.31	-98.29
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131621	0	45	-2.0	-111.41	384.01	6.64	-104.77
CC(C)CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131621	1	46	-1.0	-43.95	382.13	6.75	-37.20
CC(C)CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131621	1	46	-1.0	-43.89	382.15	6.75	-37.14
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131622	0	35	-2.0	-108.11	318.79	4.41	-103.70
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131622	1	35	-2.0	-108.09	318.82	4.41	-103.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1F	REAL300020131623	0	30	-2.0	-110.36	292.44	3.27	-107.09
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1F	REAL300020131623	1	30	-2.0	-110.29	292.48	3.28	-107.01
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131624	0	38	-3.0	-170.30	352.58	5.28	-165.02
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131624	1	39	-2.0	-93.17	350.70	5.39	-87.78
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131624	1	38	-3.0	-170.26	352.62	5.30	-164.96
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131625	0	40	-2.0	-116.68	357.20	2.85	-113.83
CCC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131625	1	41	-1.0	-52.60	355.03	2.96	-49.64
CCC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131625	1	41	-1.0	-52.57	355.06	2.96	-49.61
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131625	1	40	-2.0	-116.64	357.23	2.86	-113.78
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2N1	REAL300020131626	0	34	-2.0	-106.12	316.29	-0.04	-106.16
O=C1NC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2N1	REAL300020131626	1	35	-1.0	-44.10	314.32	0.06	-44.04
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2N1	REAL300020131626	1	34	-2.0	-106.13	316.33	-0.03	-106.16
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300020131627	0	37	-2.0	-108.09	351.47	3.82	-104.27
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300020131627	1	38	-1.0	-46.17	349.55	3.93	-42.24
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300020131627	1	38	-1.0	-46.22	349.52	3.93	-42.29
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131628	0	34	-2.0	-109.97	320.75	4.17	-105.80
CSC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131628	1	35	-1.0	-44.92	318.78	4.26	-40.66
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131628	1	34	-2.0	-109.90	320.79	4.18	-105.72
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020131629	0	35	-2.0	-107.44	322.59	1.59	-105.85
O=C1CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020131629	1	36	-1.0	-45.56	320.66	1.70	-43.86
O=C1CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020131629	1	36	-1.0	-45.50	320.68	1.70	-43.80
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020131630	0	38	-2.0	-108.57	340.36	2.34	-106.23
O=C1CCC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020131630	1	39	-1.0	-46.65	338.43	2.43	-44.22
O=C1CCC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020131630	1	39	-1.0	-46.61	338.45	2.43	-44.18
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1OCC	REAL300020131631	0	44	-2.0	-111.49	382.98	4.19	-107.30
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OCC	REAL300020131631	1	45	-1.0	-44.84	381.11	4.29	-40.55
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OCC	REAL300020131631	1	45	-1.0	-44.77	381.14	4.29	-40.48
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=NN=N2)C=C1	REAL300020131632	0	36	-1.0	-50.88	326.89	3.42	-47.46
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=NN=N2)C=C1	REAL300020131632	1	35	-2.0	-107.51	328.81	3.32	-104.19
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=NN=N2)C=C1	REAL300020131632	1	36	-1.0	-50.85	326.86	3.42	-47.43
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131633	0	29	-3.0	-183.16	302.20	2.72	-180.44
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131633	1	29	-3.0	-183.10	302.23	2.73	-180.37
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300020131634	0	33	-2.0	-105.73	312.30	0.65	-105.08
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2O1	REAL300020131634	1	33	-2.0	-105.69	312.33	0.66	-105.03
O=C1NC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300020131634	1	34	-1.0	-49.27	310.36	0.74	-48.53
COC(=O)CCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131635	0	32	-2.0	-107.35	299.22	1.72	-105.63
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131636	0	35	-3.0	-184.77	324.44	4.48	-180.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131636	1	36	-2.0	-90.11	320.24	4.75	-85.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131636	1	36	-2.0	-90.11	320.27	4.75	-85.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131636	1	35	-3.0	-184.70	324.47	4.49	-180.21
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131637	0	36	-2.0	-110.35	317.24	2.18	-108.17
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131637	1	36	-2.0	-110.35	317.28	2.19	-108.16
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131638	0	38	-2.0	-118.05	357.15	-0.68	-118.73
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131638	1	38	-2.0	-117.97	357.19	-0.67	-118.64
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131638	1	39	-1.0	-46.28	355.36	-0.58	-46.86
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131639	0	38	-2.0	-104.88	341.26	5.12	-99.76
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020131639	1	38	-2.0	-104.85	341.30	5.12	-99.73
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2CC1C	REAL300020131640	0	44	-2.0	-121.35	375.13	4.72	-116.63
CC(=O)N1C2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2CC1C	REAL300020131640	1	45	-1.0	-47.26	373.39	4.81	-42.45
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2CC1C	REAL300020131640	1	44	-2.0	-121.35	375.17	4.74	-116.61
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131641	0	36	-2.0	-106.72	335.31	3.81	-102.91
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131641	1	36	-2.0	-106.66	335.34	3.82	-102.84
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131642	0	37	-2.0	-110.86	336.98	1.42	-109.44
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131642	1	37	-2.0	-110.85	337.01	1.43	-109.42
CNC(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131642	1	38	-1.0	-50.58	334.99	1.52	-49.06
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131643	0	35	-2.0	-113.45	334.79	-1.91	-115.36
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131643	1	35	-2.0	-113.39	334.82	-1.90	-115.29
O=C1CCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131644	0	41	-2.0	-119.49	358.34	4.26	-115.23
O=C1CCCN1C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131644	1	42	-1.0	-48.25	355.89	4.35	-43.90
O=C1CCCN1C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131644	1	42	-1.0	-48.25	355.92	4.36	-43.89
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131645	0	44	-2.0	-126.08	373.21	4.73	-121.35
CC(=O)N1CCCC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131645	1	45	-1.0	-50.15	371.32	4.77	-45.38
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020131645	1	44	-2.0	-126.06	373.24	4.75	-121.31
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131646	0	34	-2.0	-110.57	315.05	-0.08	-110.65
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131646	1	34	-2.0	-110.54	315.08	-0.06	-110.60
NC(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131646	1	35	-1.0	-50.48	313.05	0.02	-50.46
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131647	0	41	-2.0	-121.49	359.45	4.17	-117.32
CC(=O)N1CCC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131647	1	42	-1.0	-49.25	357.55	4.26	-44.99
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020131647	1	41	-2.0	-121.41	359.48	4.19	-117.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131648	0	36	-2.0	-111.96	323.45	4.58	-107.38
CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131648	1	37	-1.0	-44.30	321.57	4.68	-39.62
CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131648	1	37	-1.0	-44.28	321.59	4.69	-39.59
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020131649	0	36	-2.0	-116.10	326.49	5.42	-110.68
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020131649	1	37	-1.0	-46.51	324.45	5.51	-41.00
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020131649	1	36	-2.0	-116.02	326.52	5.44	-110.58
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=CS1	REAL300020131650	0	33	-2.0	-119.58	320.13	3.46	-116.12
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=CS1	REAL300020131650	1	33	-2.0	-119.64	320.16	3.46	-116.18
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131651	0	40	-2.0	-110.88	357.12	3.65	-107.23
COCCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131651	1	41	-1.0	-44.63	355.19	3.75	-40.88
COCCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131651	1	41	-1.0	-44.57	355.22	3.75	-40.82
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131652	0	36	-3.0	-170.56	340.08	3.99	-166.57
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131652	1	37	-2.0	-93.89	338.16	4.09	-89.80
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131652	1	37	-2.0	-94.01	338.14	4.08	-89.93
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131653	0	44	-2.0	-113.84	385.59	3.38	-110.46
COCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020131653	1	45	-1.0	-47.04	383.73	3.48	-43.56
COCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131653	1	45	-1.0	-47.12	383.72	3.48	-43.64
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300020131654	0	41	-2.0	-115.08	364.78	7.26	-107.82
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300020131654	1	42	-1.0	-46.97	362.83	7.36	-39.61
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300020131654	1	41	-2.0	-115.06	364.82	7.28	-107.78
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131655	0	42	-2.0	-111.89	361.76	5.82	-106.07
CC(C)CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131655	1	43	-1.0	-44.00	359.87	5.93	-38.07
CC(C)CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131655	1	43	-1.0	-44.00	359.89	5.93	-38.07
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020131656	0	30	-2.0	-104.08	286.95	3.21	-100.87
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020131656	1	31	-1.0	-41.83	285.02	3.31	-38.52
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020131656	1	31	-1.0	-41.80	285.04	3.31	-38.49
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020131656	1	30	-2.0	-104.05	286.98	3.22	-100.83
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1F	REAL300020131657	0	30	-2.0	-116.59	286.05	3.20	-113.39
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1F	REAL300020131657	1	30	-2.0	-116.52	286.08	3.21	-113.31
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C(Cl)C=C2N1	REAL300020131659	0	35	-2.0	-106.46	335.67	2.16	-104.30
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C(Cl)C=C2N1	REAL300020131659	1	35	-2.0	-106.49	335.71	2.17	-104.32
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C2=NC=CC=C12	REAL300020131660	0	35	-2.0	-106.93	322.93	3.65	-103.28
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C2=NC=CC=C12	REAL300020131660	1	35	-2.0	-106.83	322.96	3.65	-103.18
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C2=NC=CC=C12	REAL300020131660	1	36	-1.0	-43.27	322.61	3.80	-39.47
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C2N=C1	REAL300020131661	0	38	-2.0	-127.80	341.87	4.42	-123.38
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C2N=C1	REAL300020131661	1	38	-2.0	-127.76	341.90	4.43	-123.33
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131662	0	40	-2.0	-109.17	353.39	4.17	-105.00
CCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131662	1	41	-1.0	-44.48	351.47	4.27	-40.21
CCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131662	1	41	-1.0	-44.48	351.45	4.26	-40.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020131663	0	33	-2.0	-111.80	315.09	4.37	-107.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020131663	1	33	-2.0	-111.75	315.13	4.38	-107.37
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1OC(F)(F)F	REAL300020131664	0	34	-2.0	-113.66	325.30	3.41	-110.25
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1OC(F)(F)F	REAL300020131664	1	34	-2.0	-113.65	325.34	3.42	-110.23
O=C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2N1	REAL300020131665	0	36	-2.0	-108.16	331.27	0.37	-107.79
O=C1COC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2N1	REAL300020131665	1	37	-1.0	-44.09	329.39	0.47	-43.62
O=C1COC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2N1	REAL300020131665	1	37	-1.0	-44.11	329.41	0.47	-43.64
O=C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2N1	REAL300020131665	1	36	-2.0	-108.15	331.31	0.38	-107.77
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131666	0	35	-2.0	-117.14	334.73	-1.89	-119.03
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131666	1	35	-2.0	-117.09	334.76	-1.88	-118.97
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131666	1	36	-1.0	-54.99	332.98	-1.80	-56.79
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131667	0	38	-2.0	-107.99	343.38	3.56	-104.43
CN1C(=O)CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131667	1	39	-1.0	-45.06	341.51	3.66	-41.40
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020131667	1	38	-2.0	-107.97	343.41	3.58	-104.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020131668	0	36	-2.0	-118.53	331.09	3.86	-114.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020131668	1	36	-2.0	-118.48	331.13	3.85	-114.63
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2NC1=O	REAL300020131669	0	36	-2.0	-105.16	337.09	0.14	-105.02
O=C1NC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2NC1=O	REAL300020131669	1	37	-1.0	-45.54	335.11	0.22	-45.32
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2NC1=O	REAL300020131669	1	36	-2.0	-105.12	337.13	0.15	-104.97
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C1=O	REAL300020131670	0	37	-2.0	-105.27	346.39	2.41	-102.86
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C1=O	REAL300020131670	1	37	-2.0	-105.21	346.42	2.42	-102.79
O=C1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300020131671	0	35	-2.0	-104.48	328.23	4.64	-99.84
O=C1C=CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300020131671	1	36	-1.0	-47.79	326.18	4.72	-43.07
O=C1C=CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2O1	REAL300020131671	1	36	-1.0	-47.77	326.20	4.73	-43.04
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131672	0	36	-2.0	-107.57	334.69	3.10	-104.47
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020131672	1	36	-2.0	-107.52	334.72	3.11	-104.41
CN1C(=O)OC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131672	1	37	-1.0	-42.82	332.69	3.20	-39.62
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020131673	0	34	-2.0	-106.02	326.54	2.94	-103.08
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020131673	1	34	-2.0	-105.98	326.57	2.95	-103.03
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020131673	1	35	-1.0	-44.48	324.77	3.03	-41.45
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131674	0	36	-2.0	-118.67	341.25	0.66	-118.01
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131674	1	36	-2.0	-118.67	341.28	0.67	-118.00
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131675	0	33	-2.0	-103.07	302.43	3.97	-99.10
CC1=CC(F)=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131675	1	34	-1.0	-39.66	298.28	4.26	-35.40
CC1=CC(F)=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131675	1	34	-1.0	-39.70	298.26	4.26	-35.44
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131676	0	38	-2.0	-113.18	357.16	-0.69	-113.87
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131676	1	38	-2.0	-113.18	357.20	-0.68	-113.86
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1Cl	REAL300020131677	0	30	-2.0	-103.43	300.08	3.79	-99.64
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1Cl	REAL300020131677	1	30	-2.0	-103.36	300.11	3.79	-99.57
O=C(C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1)N1CCCC1	REAL300020131678	0	42	-2.0	-118.68	366.47	2.47	-116.21
O=C(C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1)N1CCCC1	REAL300020131678	1	42	-2.0	-118.67	366.51	2.49	-116.18
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020131679	0	37	-2.0	-126.81	342.40	2.08	-124.73
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020131679	1	37	-2.0	-126.81	342.44	2.10	-124.71
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131680	0	36	-2.0	-122.22	341.24	0.67	-121.55
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131680	1	36	-2.0	-122.21	341.28	0.68	-121.53
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131680	1	37	-1.0	-57.60	339.50	0.76	-56.84
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300020131681	0	39	-2.0	-114.43	354.76	5.84	-108.59
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300020131681	1	39	-2.0	-114.34	354.80	5.86	-108.48
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300020131681	1	40	-1.0	-46.68	352.96	5.94	-40.74
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)N1CCC2=CC=CC=C2C1	REAL300020131682	0	40	-1.0	-44.43	331.99	4.33	-40.10
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)N1CCC2=CC=CC=C2C1	REAL300020131682	1	40	-1.0	-44.47	331.96	4.34	-40.13
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020131683	0	38	-2.0	-112.79	344.73	2.40	-110.39
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020131683	1	38	-2.0	-112.79	344.77	2.42	-110.37
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020131684	0	41	-2.0	-109.32	354.72	3.10	-106.22
COC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020131684	1	42	-1.0	-42.14	350.59	3.38	-38.76
COC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020131684	1	42	-1.0	-42.13	350.64	3.38	-38.75
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131685	0	33	-3.0	-187.94	315.66	3.05	-184.89
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131685	1	33	-3.0	-187.87	315.69	3.06	-184.81
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020131686	0	30	-2.0	-118.34	298.01	2.71	-115.63
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020131686	1	30	-2.0	-118.28	298.05	2.72	-115.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Br)=C1	REAL300020131687	0	33	-2.0	-110.43	318.45	4.51	-105.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Br)=C1	REAL300020131687	1	33	-2.0	-110.39	318.48	4.51	-105.88
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020131688	0	35	-2.0	-109.02	322.49	-0.70	-109.72
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(N)=O	REAL300020131688	1	35	-2.0	-108.94	322.53	-0.69	-109.63
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131689	0	37	-2.0	-91.46	329.12	2.78	-88.68
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131689	1	36	-3.0	-184.07	333.21	2.52	-181.55
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131689	1	37	-2.0	-91.50	329.08	2.78	-88.72
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131690	0	36	-2.0	-111.67	348.41	4.37	-107.30
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131690	1	36	-2.0	-111.62	348.45	4.37	-107.25
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131691	0	41	-2.0	-111.46	365.51	2.64	-108.82
COCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131691	1	42	-1.0	-47.05	363.60	2.74	-44.31
COCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131691	1	42	-1.0	-47.07	363.57	2.74	-44.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131692	0	34	-2.0	-107.94	326.06	3.00	-104.94
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131692	1	35	-1.0	-46.49	324.19	3.10	-43.39
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020131692	1	35	-1.0	-46.42	324.21	3.10	-43.32
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020131692	1	34	-2.0	-107.92	326.10	3.01	-104.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131693	0	34	-2.0	-107.94	316.26	2.52	-105.42
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131693	1	35	-1.0	-47.66	314.38	2.62	-45.04
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020131693	1	34	-2.0	-107.86	316.29	2.53	-105.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131694	0	37	-2.0	-111.25	330.11	3.19	-108.06
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020131694	1	38	-1.0	-45.38	328.20	3.29	-42.09
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131694	1	38	-1.0	-45.43	328.18	3.28	-42.15
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131695	0	40	-2.0	-111.08	351.96	4.11	-106.97
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020131695	1	41	-1.0	-45.11	350.05	4.21	-40.90
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131695	1	41	-1.0	-45.12	350.03	4.21	-40.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020131696	0	37	-2.0	-106.11	331.13	0.60	-105.51
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020131696	1	38	-1.0	-44.09	329.21	0.70	-43.39
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(N)=O	REAL300020131696	1	37	-2.0	-106.09	331.17	0.61	-105.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020131697	0	38	-2.0	-107.92	342.36	0.52	-107.40
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020131697	1	39	-1.0	-47.85	340.43	0.62	-47.23
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(N)=O	REAL300020131697	1	39	-1.0	-47.87	340.46	0.62	-47.25
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131698	0	30	-2.0	-108.26	285.10	0.85	-107.41
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131698	1	30	-2.0	-108.29	285.13	0.86	-107.43
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131699	0	35	-2.0	-98.27	324.26	4.58	-93.69
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131699	1	35	-2.0	-98.27	324.29	4.58	-93.69
O=S(=O)(CCC1=CC=CC=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131700	0	36	-2.0	-107.45	325.17	4.69	-102.76
O=S(=O)(CCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131700	1	37	-1.0	-43.55	325.64	4.77	-38.78
O=S(=O)(CCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131700	1	37	-1.0	-43.58	325.61	4.77	-38.81
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1C	REAL300020131701	0	38	-2.0	-109.94	344.43	0.79	-109.15
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1C	REAL300020131701	1	38	-2.0	-109.85	344.46	0.80	-109.05
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131702	0	33	-2.0	-106.25	312.76	4.44	-101.81
CC1=CC=C(Cl)C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131702	1	34	-1.0	-38.62	308.58	4.71	-33.91
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131702	1	33	-2.0	-106.20	312.80	4.44	-101.76
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131703	0	43	-2.0	-109.35	373.49	4.87	-104.48
CC(C)COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131703	1	44	-1.0	-44.53	371.57	4.96	-39.57
CC(C)COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131703	1	44	-1.0	-44.55	371.55	4.96	-39.59
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=N2)C=C1	REAL300020131704	0	40	-2.0	-111.07	362.52	4.93	-106.14
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=N2)C=C1	REAL300020131704	1	40	-2.0	-111.06	362.55	4.95	-106.11
O=S(=O)(CCOC1=CC=C(F)C=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131705	0	37	-2.0	-103.27	340.05	3.56	-99.71
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020131706	0	41	-2.0	-110.08	356.02	3.28	-106.80
O=C1CCCC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020131706	1	42	-1.0	-45.17	354.28	3.37	-41.80
O=C1CCCC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020131706	1	42	-1.0	-45.17	354.30	3.37	-41.80
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131707	0	40	-2.0	-110.21	351.85	3.94	-106.27
COC1=C(C)C=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020131707	1	41	-1.0	-45.15	352.21	4.13	-41.02
COC1=C(C)C=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131707	1	41	-1.0	-45.18	352.18	4.12	-41.06
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C3=CC=CC1=C23	REAL300020131708	0	38	-2.0	-110.04	344.09	2.99	-107.05
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C3=CC=CC1=C23	REAL300020131708	1	38	-2.0	-109.93	344.12	3.01	-106.92
O=C1NC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C3=CC=CC1=C23	REAL300020131708	1	39	-1.0	-50.80	341.24	2.69	-48.11
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131709	0	32	-3.0	-178.74	318.12	3.39	-175.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131709	1	32	-3.0	-178.66	318.15	3.40	-175.26
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131710	0	31	-2.0	-99.80	316.75	3.95	-95.85
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020131710	1	31	-2.0	-99.77	316.79	3.96	-95.81
N#CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131710	1	32	-1.0	-43.51	314.83	4.05	-39.46
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020131711	0	31	-2.0	-100.37	316.77	3.95	-96.42
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020131711	1	31	-2.0	-100.36	316.81	3.96	-96.40
N#CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020131711	1	32	-1.0	-38.72	314.80	4.04	-34.68
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131712	0	38	-3.0	-186.63	340.46	5.01	-181.62
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131712	1	39	-2.0	-91.91	340.14	5.39	-86.52
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131712	1	39	-2.0	-91.95	340.12	5.39	-86.56
O=C1OCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131713	0	34	-2.0	-115.89	318.91	3.51	-112.38
O=C1OCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020131713	1	34	-2.0	-115.87	318.94	3.53	-112.34
O=C1OCC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131713	1	35	-1.0	-45.08	316.92	3.60	-41.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CN=C12	REAL300020131714	0	39	-2.0	-113.87	345.85	2.93	-110.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CN=C12	REAL300020131714	1	39	-2.0	-113.81	345.89	2.94	-110.87
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CN=C12	REAL300020131714	1	40	-1.0	-47.04	345.53	3.09	-43.95
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131715	0	33	-2.0	-109.17	316.01	4.26	-104.91
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131715	1	34	-1.0	-45.35	314.16	4.35	-41.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020131715	1	33	-2.0	-109.14	316.04	4.26	-104.88
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1F	REAL300020131716	0	30	-2.0	-113.74	302.21	3.71	-110.03
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1F	REAL300020131716	1	30	-2.0	-113.73	302.24	3.72	-110.01
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1Br	REAL300020131717	0	30	-2.0	-102.18	303.43	3.92	-98.26
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1Br	REAL300020131717	1	30	-2.0	-102.17	303.46	3.92	-98.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020131718	0	43	-2.0	-111.36	369.88	4.74	-106.62
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020131718	1	44	-1.0	-45.23	369.47	4.89	-40.34
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020131718	1	44	-1.0	-45.23	369.45	4.89	-40.34
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131719	0	36	-2.0	-104.46	337.02	3.61	-100.85
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131719	1	36	-2.0	-104.50	337.05	3.62	-100.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020131720	0	40	-2.0	-117.45	349.91	4.81	-112.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020131720	1	40	-2.0	-117.43	349.95	4.82	-112.61
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020131720	1	41	-1.0	-47.14	349.59	4.96	-42.18
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131721	0	33	-2.0	-109.12	307.27	3.85	-105.27
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131721	1	34	-1.0	-46.30	305.42	3.95	-42.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020131721	1	33	-2.0	-109.07	307.30	3.86	-105.21
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131722	0	33	-2.0	-103.96	312.76	4.42	-99.54
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131722	1	34	-1.0	-39.62	308.56	4.70	-34.92
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131722	1	34	-1.0	-39.60	308.61	4.71	-34.89
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131723	0	33	-2.0	-117.13	307.45	3.86	-113.27
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131723	1	33	-2.0	-117.09	307.48	3.88	-113.21
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131724	0	33	-2.0	-106.22	302.44	3.97	-102.25
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131724	1	33	-2.0	-106.20	302.47	3.98	-102.22
CC1=CC=C(F)C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131724	1	34	-1.0	-38.58	298.24	4.26	-34.32
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CCCl)C=C1	REAL300020131725	0	36	-2.0	-110.11	340.60	5.20	-104.91
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CCCl)C=C1	REAL300020131725	1	37	-1.0	-44.14	338.71	5.31	-38.83
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CCCl)C=C1	REAL300020131725	1	37	-1.0	-44.07	338.73	5.31	-38.76
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CCCl)C=C1	REAL300020131725	1	36	-2.0	-110.10	340.63	5.21	-104.89
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131726	0	35	-2.0	-123.62	314.17	5.40	-118.22
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131726	1	35	-2.0	-123.56	314.21	5.40	-118.16
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C(F)C=C2N1	REAL300020131727	0	38	-2.0	-113.01	345.85	2.38	-110.63
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C(F)C=C2N1	REAL300020131727	1	38	-2.0	-113.01	345.89	2.39	-110.62
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131728	0	40	-2.0	-120.26	352.68	3.00	-117.26
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131728	1	40	-2.0	-120.18	352.72	3.01	-117.17
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131728	1	41	-1.0	-57.22	349.61	3.09	-54.13
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2CCCC2)C=C1	REAL300020131729	0	44	-2.0	-109.66	374.61	5.33	-104.33
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2CCCC2)C=C1	REAL300020131729	1	45	-1.0	-43.68	372.83	5.44	-38.24
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2CCCC2)C=C1	REAL300020131729	1	45	-1.0	-43.72	372.82	5.44	-38.28
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131730	0	38	-2.0	-127.71	341.81	4.43	-123.28
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131730	1	38	-2.0	-127.71	341.85	4.44	-123.27
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131731	0	46	-2.0	-109.17	392.45	5.47	-103.70
CC(C)CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131731	1	47	-1.0	-44.32	390.54	5.57	-38.75
CC(C)CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131731	1	47	-1.0	-44.36	390.51	5.57	-38.79
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131732	0	40	-2.0	-112.72	366.40	4.07	-108.65
COC(=O)COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131732	1	41	-1.0	-50.91	364.48	4.16	-46.75
COC(=O)COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131732	1	41	-1.0	-50.94	364.45	4.16	-46.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020131733	0	29	-3.0	-184.65	300.66	2.74	-181.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020131733	1	29	-3.0	-184.59	300.70	2.75	-181.84
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020131734	0	33	-2.0	-112.14	322.88	5.04	-107.10
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020131734	1	33	-2.0	-112.13	322.91	5.05	-107.08
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131735	0	39	-2.0	-113.73	356.74	1.43	-112.30
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131735	1	39	-2.0	-113.69	356.78	1.43	-112.26
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131735	1	40	-1.0	-47.72	352.55	1.71	-46.01
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020131736	0	32	-2.0	-98.79	321.90	4.39	-94.40
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020131736	1	32	-2.0	-98.73	321.94	4.38	-94.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131737	0	36	-3.0	-196.21	336.29	3.77	-192.44
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131737	1	37	-2.0	-120.11	334.38	3.87	-116.24
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131737	1	37	-2.0	-120.23	334.36	3.87	-116.36
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL300020131738	0	38	-2.0	-112.95	330.65	4.52	-108.43
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL300020131738	1	38	-2.0	-112.93	330.69	4.53	-108.40
CC1=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL300020131738	1	39	-1.0	-53.77	331.58	4.12	-49.65
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)C=CS1	REAL300020131739	0	27	-2.0	-106.64	292.85	2.71	-103.93
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C=CS1	REAL300020131739	1	27	-2.0	-106.62	292.89	2.71	-103.91
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1O	REAL300020131740	0	37	-2.0	-108.71	344.14	1.83	-106.88
COC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1O	REAL300020131740	1	38	-1.0	-48.12	342.23	1.92	-46.20
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131741	0	43	-2.0	-118.89	383.95	2.93	-115.96
CC(=O)NCCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131741	1	44	-1.0	-51.43	382.03	3.04	-48.39
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131741	1	43	-2.0	-118.85	383.99	2.95	-115.90
CC(=O)NCCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131741	1	44	-1.0	-51.42	382.05	3.04	-48.38
O=[N+]([O-])C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131742	0	32	-2.0	-114.42	305.48	4.60	-109.82
O=[N+]([O-])C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131742	1	32	-2.0	-114.40	305.52	4.60	-109.80
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131743	0	42	-3.0	-190.61	364.25	6.33	-184.28
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131743	1	43	-2.0	-97.26	360.70	6.03	-91.23
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131743	1	43	-2.0	-97.18	360.74	6.03	-91.15
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131744	0	41	-3.0	-186.36	361.56	5.76	-180.60
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131744	1	42	-2.0	-96.91	359.79	5.43	-91.48
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131744	1	41	-3.0	-186.30	361.60	5.76	-180.54
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020131745	0	40	-2.0	-113.22	354.73	6.56	-106.66
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020131745	1	41	-1.0	-45.82	352.75	6.65	-39.17
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020131745	1	40	-2.0	-113.15	354.77	6.57	-106.58
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020131745	1	41	-1.0	-45.77	352.78	6.65	-39.12
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131746	0	32	-2.0	-120.33	313.94	4.51	-115.82
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131746	1	32	-2.0	-120.33	313.97	4.51	-115.82
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131747	0	41	-2.0	-121.50	371.29	2.81	-118.69
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131747	1	41	-2.0	-121.54	371.33	2.82	-118.72
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131747	1	42	-1.0	-57.19	369.50	2.90	-54.29
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020131748	0	38	-1.0	-43.30	321.34	3.50	-39.80
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020131748	1	37	-2.0	-109.17	325.51	3.22	-105.95
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020131748	1	38	-1.0	-43.28	321.29	3.49	-39.79
COC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020131749	0	41	-1.0	-41.83	341.51	4.22	-37.61
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131749	1	40	-2.0	-109.82	345.57	3.95	-105.87
COC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131749	1	41	-1.0	-41.80	341.46	4.21	-37.59
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131750	0	41	-2.0	-122.05	368.59	3.12	-118.93
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131750	1	41	-2.0	-122.01	368.63	3.13	-118.88
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131750	1	42	-1.0	-57.59	366.71	3.22	-54.37
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131751	0	34	-2.0	-115.81	311.65	1.50	-114.31
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131751	1	34	-2.0	-115.82	311.69	1.52	-114.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131752	0	38	-3.0	-180.42	334.19	5.56	-174.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131752	1	39	-2.0	-95.70	335.63	4.93	-90.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131752	1	39	-2.0	-95.66	335.66	4.93	-90.73
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)N=C2C=CC=CN21	REAL300020131753	0	33	-2.0	-116.58	320.05	4.05	-112.53
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)N=C2C=CC=CN21	REAL300020131753	1	33	-2.0	-116.51	320.08	4.06	-112.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131754	0	39	-3.0	-197.81	359.44	4.27	-193.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131754	1	39	-3.0	-197.73	359.48	4.28	-193.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300020131755	0	34	-4.0	-283.72	337.41	4.27	-279.45
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300020131755	1	35	-3.0	-173.65	335.41	4.35	-169.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300020131755	1	34	-4.0	-283.66	337.45	4.28	-279.38
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300020131755	1	35	-3.0	-173.58	335.43	4.35	-169.23
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131756	0	33	-2.0	-104.86	328.42	2.91	-101.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131756	1	33	-2.0	-104.80	328.46	2.92	-101.88
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131757	0	39	-3.0	-190.73	353.26	5.60	-185.13
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131757	1	40	-2.0	-97.66	350.26	5.32	-92.34
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131757	1	40	-2.0	-97.55	350.29	5.32	-92.23
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131758	0	36	-2.0	-110.59	345.63	0.69	-109.90
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131758	1	36	-2.0	-110.49	345.67	0.70	-109.79
CS(=O)(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131758	1	37	-1.0	-44.95	343.72	0.79	-44.16
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131759	0	38	-2.0	-122.62	340.72	5.77	-116.85
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020131759	1	38	-2.0	-122.62	340.76	5.77	-116.85
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131760	0	34	-2.0	-103.38	318.36	3.51	-99.87
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131760	1	34	-2.0	-103.40	318.39	3.53	-99.87
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=C(F)C=C1F	REAL300020131761	0	30	-2.0	-108.37	295.45	3.48	-104.89
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=C(F)C=C1F	REAL300020131761	1	30	-2.0	-108.32	295.49	3.50	-104.82
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131762	0	40	-2.0	-117.67	376.66	2.07	-115.60
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131762	1	40	-2.0	-117.60	376.70	2.08	-115.52
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131763	0	40	-2.0	-108.90	374.03	2.13	-106.77
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131763	1	40	-2.0	-108.81	374.07	2.14	-106.67
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300020131764	0	32	-3.0	-178.42	312.02	2.84	-175.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300020131764	1	32	-3.0	-178.32	312.05	2.86	-175.46
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2NC=CC=C12	REAL300020131765	0	33	-2.0	-131.95	308.74	2.34	-129.61
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2NC=CC=C12	REAL300020131765	1	33	-2.0	-131.80	308.78	2.35	-129.45
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131766	0	36	-2.0	-115.86	340.80	3.84	-112.02
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131766	1	36	-2.0	-115.83	340.84	3.86	-111.97
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131767	0	40	-2.0	-119.90	352.07	4.51	-115.39
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131767	1	40	-2.0	-119.87	352.11	4.53	-115.34
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300020131768	0	33	-2.0	-100.78	324.86	4.20	-96.58
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300020131768	1	34	-1.0	-38.41	323.01	4.29	-34.12
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300020131768	1	33	-2.0	-100.73	324.90	4.22	-96.51
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131769	0	46	-2.0	-109.10	396.38	5.73	-103.37
CCCCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131769	1	47	-1.0	-44.43	394.47	5.83	-38.60
CCCCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131769	1	47	-1.0	-44.47	394.44	5.83	-38.64
O=[N+]([O-])C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131770	0	32	-2.0	-121.49	314.27	5.31	-116.18
O=[N+]([O-])C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131770	1	32	-2.0	-121.46	314.30	5.31	-116.15
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2C=NN=N2)=C1	REAL300020131771	0	35	-2.0	-120.71	328.88	3.31	-117.40
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2C=NN=N2)=C1	REAL300020131771	1	35	-2.0	-120.68	328.91	3.33	-117.35
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2C=NN=N2)=C1	REAL300020131771	1	36	-1.0	-47.73	326.94	3.41	-44.32
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020131772	0	43	-2.0	-117.06	371.77	5.74	-111.32
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020131772	1	43	-2.0	-117.01	371.81	5.74	-111.27
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020131772	1	44	-1.0	-46.64	371.44	5.89	-40.75
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(Br)=C1	REAL300020131773	0	29	-2.0	-102.74	296.86	1.94	-100.80
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(Br)=C1	REAL300020131773	1	29	-2.0	-102.71	296.90	1.96	-100.75
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131774	0	39	-1.0	-47.92	352.36	-0.02	-47.94
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131774	1	39	-1.0	-47.92	352.33	-0.02	-47.94
CS(=O)(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131774	1	38	-2.0	-114.19	354.10	-0.15	-114.34
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131775	0	44	-2.0	-111.49	387.37	3.61	-107.88
CCOCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131775	1	45	-1.0	-47.09	385.45	3.70	-43.39
CCOCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131775	1	45	-1.0	-47.11	385.43	3.70	-43.41
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131776	0	36	-2.0	-123.70	346.73	0.72	-122.98
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131776	1	36	-2.0	-123.73	346.77	0.73	-123.00
O=[N+]([O-])C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131777	0	32	-2.0	-125.71	306.57	4.77	-120.94
O=[N+]([O-])C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131777	1	32	-2.0	-125.67	306.60	4.78	-120.89
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131778	0	36	-3.0	-198.05	337.93	2.79	-195.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131778	1	36	-3.0	-197.98	337.96	2.80	-195.18
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020131779	0	37	-2.0	-111.48	341.11	4.25	-107.23
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020131779	1	37	-2.0	-111.41	341.15	4.27	-107.14
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020131780	0	40	-2.0	-109.70	366.53	4.70	-105.00
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020131780	1	40	-2.0	-109.72	366.57	4.71	-105.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(Cl)C=C1F	REAL300020131781	0	32	-3.0	-176.04	326.60	4.30	-171.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(Cl)C=C1F	REAL300020131781	1	32	-3.0	-175.98	326.64	4.31	-171.67
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(F)=C1	REAL300020131782	0	29	-2.0	-102.41	281.95	1.42	-100.99
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(F)=C1	REAL300020131782	1	29	-2.0	-102.40	281.99	1.43	-100.97
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CC=C1F	REAL300020131783	0	30	-2.0	-110.43	307.33	3.82	-106.61
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CC=C1F	REAL300020131783	1	30	-2.0	-110.43	307.37	3.83	-106.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020131784	0	36	-2.0	-108.43	334.97	4.67	-103.76
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020131784	1	37	-1.0	-46.27	333.13	4.77	-41.50
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020131784	1	37	-1.0	-46.15	333.15	4.77	-41.38
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131785	0	40	-2.0	-108.29	360.80	4.06	-104.23
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131785	1	41	-1.0	-45.65	358.90	4.15	-41.50
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020131785	1	40	-2.0	-108.28	360.83	4.07	-104.21
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131786	0	33	-2.0	-110.24	328.59	2.80	-107.44
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131786	1	33	-2.0	-110.19	328.63	2.81	-107.38
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131787	0	38	-2.0	-101.02	334.07	5.64	-95.38
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131787	1	38	-2.0	-100.96	334.09	5.66	-95.30
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NC=CC=C12	REAL300020131788	0	35	-2.0	-112.68	316.70	3.57	-109.11
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=NC=CC=C12	REAL300020131788	1	35	-2.0	-112.70	316.74	3.57	-109.13
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NC=CC=C12	REAL300020131788	1	36	-1.0	-45.40	316.42	3.72	-41.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)N=C1Cl	REAL300020131789	0	29	-2.0	-103.57	305.70	2.28	-101.29
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)N=C1Cl	REAL300020131789	1	29	-2.0	-103.54	305.73	2.28	-101.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300020131790	0	39	-3.0	-171.41	360.15	4.69	-166.72
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300020131790	1	40	-2.0	-93.86	358.30	4.79	-89.07
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300020131790	1	40	-2.0	-93.91	358.28	4.79	-89.12
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131791	0	30	-2.0	-119.47	284.56	2.23	-117.24
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131791	1	30	-2.0	-119.43	284.60	2.24	-117.19
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020131792	0	41	-1.0	-43.10	343.60	4.42	-38.68
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020131792	1	40	-2.0	-109.02	347.36	4.13	-104.89
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020131792	1	41	-1.0	-43.11	343.56	4.42	-38.69
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020131793	0	38	-2.0	-106.89	346.87	2.87	-104.02
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020131793	1	38	-2.0	-106.90	346.91	2.88	-104.02
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020131794	0	34	-2.0	-102.10	320.30	0.11	-101.99
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020131794	1	34	-2.0	-102.12	320.33	0.13	-101.99
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131795	0	30	-2.0	-99.59	296.49	1.66	-97.93
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131795	1	30	-2.0	-99.61	296.53	1.67	-97.94
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CCCCl)C=C1	REAL300020131796	0	39	-2.0	-112.71	362.09	5.98	-106.73
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CCCCl)C=C1	REAL300020131796	1	40	-1.0	-45.52	360.17	6.09	-39.43
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CCCCl)C=C1	REAL300020131796	1	40	-1.0	-45.46	360.19	6.09	-39.37
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1F	REAL300020131797	0	30	-2.0	-115.20	292.32	3.27	-111.93
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1F	REAL300020131797	1	30	-2.0	-115.15	292.36	3.28	-111.87
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020131798	0	34	-2.0	-114.59	318.53	2.71	-111.88
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020131798	1	34	-2.0	-114.59	318.56	2.73	-111.86
O=[N+]([O-])C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131799	0	32	-2.0	-114.65	315.82	5.05	-109.60
O=[N+]([O-])C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131799	1	32	-2.0	-114.65	315.85	5.05	-109.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131800	0	35	-3.0	-175.95	329.72	4.52	-171.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131800	1	35	-3.0	-175.89	329.75	4.52	-171.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131800	1	36	-2.0	-86.46	325.45	4.78	-81.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCCO2	REAL300020131801	0	36	-2.0	-117.39	323.68	2.77	-114.62
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCCO2	REAL300020131801	1	36	-2.0	-117.37	323.72	2.79	-114.58
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1C	REAL300020131802	0	33	-2.0	-124.37	304.24	2.02	-122.35
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1C	REAL300020131802	1	33	-2.0	-124.29	304.28	2.03	-122.26
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131803	0	36	-3.0	-169.31	346.30	4.05	-165.26
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131803	1	37	-2.0	-93.09	344.44	4.15	-88.94
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020131803	1	36	-3.0	-169.26	346.34	4.06	-165.20
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1OC(F)F	REAL300020131804	0	34	-2.0	-113.38	318.56	3.19	-110.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1OC(F)F	REAL300020131804	1	34	-2.0	-113.30	318.60	3.20	-110.10
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131805	0	39	-2.0	-114.87	357.20	4.73	-110.14
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131805	1	39	-2.0	-114.88	357.23	4.74	-110.14
CCOC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131805	1	40	-1.0	-52.20	355.31	4.82	-47.38
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131806	0	33	-2.0	-108.66	306.63	1.71	-106.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131806	1	33	-2.0	-108.62	306.66	1.72	-106.90
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131807	0	42	-2.0	-106.19	378.67	5.53	-100.66
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131807	1	42	-2.0	-106.13	378.71	5.54	-100.59
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131808	0	37	-2.0	-113.57	335.61	2.87	-110.70
COCC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131808	1	38	-1.0	-46.24	333.86	2.96	-43.28
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131808	1	37	-2.0	-113.56	335.65	2.88	-110.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1F	REAL300020131809	0	33	-2.0	-109.33	324.76	4.20	-105.13
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1F	REAL300020131809	1	33	-2.0	-109.29	324.80	4.21	-105.08
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)N=C2SC=CN21	REAL300020131810	0	30	-2.0	-111.87	312.62	3.24	-108.63
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131811	0	39	-3.0	-197.14	358.14	4.68	-192.46
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131811	1	40	-2.0	-98.49	356.24	4.78	-93.71
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131811	1	40	-2.0	-98.48	356.22	4.78	-93.70
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2COCC2=C1	REAL300020131812	0	35	-2.0	-111.06	316.52	2.44	-108.62
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2COCC2=C1	REAL300020131812	1	36	-1.0	-45.82	314.58	2.54	-43.28
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2COCC2=C1	REAL300020131812	1	35	-2.0	-110.97	316.55	2.45	-108.52
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131813	0	39	-2.0	-104.09	361.74	4.75	-99.34
CCOC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131813	1	40	-1.0	-42.28	359.78	4.84	-37.44
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131813	1	39	-2.0	-104.07	361.77	4.76	-99.31
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1Cl	REAL300020131814	0	30	-2.0	-105.88	300.08	3.77	-102.11
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1Cl	REAL300020131814	1	30	-2.0	-105.83	300.12	3.78	-102.05
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2)=CO1	REAL300020131815	0	39	-2.0	-115.26	356.95	2.21	-113.05
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2)=CO1	REAL300020131815	1	39	-2.0	-115.19	356.98	2.22	-112.97
CC1=NC(C2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=CO1	REAL300020131815	1	40	-1.0	-51.23	354.96	2.30	-48.93
O=S(=O)(CCOCC(F)(F)F)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131816	0	33	-2.0	-104.23	318.86	1.38	-102.85
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300020131817	0	38	-2.0	-111.43	337.46	3.74	-107.69
CC1CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2O1	REAL300020131817	1	39	-1.0	-45.62	335.68	3.86	-41.76
CC1CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300020131817	1	39	-1.0	-45.67	335.67	3.86	-41.81
O=C1NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C12	REAL300020131818	0	34	-2.0	-104.21	324.85	0.00	-104.21
O=C1NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C12	REAL300020131818	1	34	-2.0	-104.24	324.89	0.01	-104.23
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131819	0	30	-2.0	-106.21	280.96	0.19	-106.02
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131819	1	30	-2.0	-106.13	281.00	0.21	-105.92
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131820	0	34	-2.0	-114.29	310.04	2.44	-111.85
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131820	1	34	-2.0	-114.23	310.08	2.45	-111.78
COC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131820	1	35	-1.0	-48.29	308.28	2.53	-45.76
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131821	0	33	-2.0	-110.80	296.03	3.92	-106.88
CC1=CC=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131821	1	34	-1.0	-42.48	291.92	4.17	-38.31
CC1=CC=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131821	1	34	-1.0	-42.52	291.95	4.17	-38.35
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131822	0	36	-2.0	-115.92	342.18	1.37	-114.55
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131822	1	36	-2.0	-115.85	342.21	1.38	-114.47
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020131823	0	30	-2.0	-118.06	285.39	0.68	-117.38
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020131823	1	30	-2.0	-118.01	285.42	0.69	-117.32
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131824	0	30	-2.0	-104.05	279.76	0.83	-103.22
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131824	1	30	-2.0	-104.03	279.79	0.84	-103.19
COC1=CC=C(OCCCS(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131825	0	45	-1.0	-44.46	385.11	3.64	-40.82
COC1=CC=C(OCCCS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131825	1	44	-2.0	-106.04	384.64	3.56	-102.48
COC1=CC=C(OCCCS(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131825	1	45	-1.0	-44.49	385.08	3.64	-40.85
O=S(=O)(CC1CCCO1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131826	0	34	-2.0	-111.50	299.90	1.35	-110.15
O=S(=O)(CC1CCCCO1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131827	0	37	-2.0	-110.60	317.40	2.43	-108.17
CC1CC(C)CN(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020131828	0	42	-1.0	-43.69	337.13	3.53	-40.16
CC1CC(C)CN(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020131828	1	42	-1.0	-43.67	337.10	3.53	-40.14
CCCCN(C)S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131829	0	38	-1.0	-41.50	311.27	2.47	-39.03
CCCCN(C)S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131829	1	38	-1.0	-41.51	311.26	2.47	-39.04
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(F)C=C1F	REAL300020131830	0	36	-2.0	-104.41	345.35	3.89	-100.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(F)C=C1F	REAL300020131830	1	36	-2.0	-104.39	345.38	3.90	-100.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020131831	0	33	-2.0	-116.73	307.46	3.87	-112.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020131831	1	33	-2.0	-116.65	307.50	3.88	-112.77
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131832	0	33	-2.0	-105.16	307.26	3.84	-101.32
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131832	1	34	-1.0	-42.05	305.41	3.94	-38.11
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131832	1	34	-1.0	-42.10	305.43	3.94	-38.16
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131832	1	33	-2.0	-105.10	307.30	3.85	-101.25
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020131833	0	33	-2.0	-106.50	320.09	1.93	-104.57
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020131833	1	33	-2.0	-106.44	320.13	1.94	-104.50
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=CN=C21	REAL300020131834	0	35	-2.0	-127.23	320.48	3.77	-123.46
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=CN=C21	REAL300020131834	1	35	-2.0	-127.17	320.52	3.79	-123.38
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=CC=C2)=N1	REAL300020131835	0	36	-2.0	-121.51	347.39	3.78	-117.73
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=CC=C2)=N1	REAL300020131835	1	36	-2.0	-121.45	347.42	3.79	-117.66
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C=C1F	REAL300020131836	0	30	-2.0	-101.95	298.76	3.32	-98.63
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C=C1F	REAL300020131836	1	30	-2.0	-101.97	298.80	3.33	-98.64
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300020131837	0	32	-3.0	-181.04	317.63	3.60	-177.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300020131837	1	32	-3.0	-180.95	317.67	3.61	-177.34
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131838	0	39	-2.0	-114.53	344.88	4.47	-110.06
COC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131838	1	40	-1.0	-52.86	340.69	4.18	-48.68
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020131838	1	39	-2.0	-114.50	344.91	4.47	-110.03
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131839	0	34	-2.0	-112.04	323.16	3.01	-109.03
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131839	1	34	-2.0	-112.00	323.19	3.01	-108.99
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN=C1Cl	REAL300020131840	0	32	-2.0	-103.28	311.19	2.36	-100.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN=C1Cl	REAL300020131840	1	32	-2.0	-103.26	311.23	2.37	-100.89
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1C	REAL300020131841	0	41	-1.0	-43.49	338.44	4.07	-39.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C	REAL300020131841	1	40	-2.0	-110.50	341.18	3.82	-106.68
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C	REAL300020131841	1	41	-1.0	-43.53	338.40	4.06	-39.47
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131842	0	39	-2.0	-121.09	357.51	4.58	-116.51
COC(=O)CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131842	1	40	-1.0	-48.57	355.58	4.69	-43.88
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131842	1	39	-2.0	-121.03	357.55	4.59	-116.44
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)N1CCOCC1	REAL300020131843	0	34	-1.0	-42.32	286.72	-0.04	-42.36
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)N1CCOCC1	REAL300020131843	1	34	-1.0	-42.35	286.69	-0.04	-42.39
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131844	0	41	-2.0	-135.05	359.72	4.20	-130.85
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020131844	1	41	-2.0	-135.02	359.76	4.21	-130.81
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131844	1	42	-1.0	-64.41	359.10	4.36	-60.05
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131845	0	42	-2.0	-111.18	358.65	3.78	-107.40
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131845	1	42	-2.0	-111.17	358.68	3.79	-107.38
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)SC=C1	REAL300020131846	0	30	-2.0	-110.70	288.78	2.97	-107.73
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)SC=C1	REAL300020131846	1	30	-2.0	-110.71	288.81	2.98	-107.73
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131847	0	36	-2.0	-108.75	352.07	4.31	-104.44
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131847	1	36	-2.0	-108.73	352.10	4.32	-104.41
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131848	0	39	-2.0	-110.67	339.05	3.05	-107.62
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020131848	1	39	-2.0	-110.62	339.09	3.06	-107.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131849	0	39	-2.0	-107.34	351.35	4.34	-103.00
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020131849	1	39	-2.0	-107.27	351.38	4.35	-102.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020131850	0	35	-2.0	-100.36	324.76	4.33	-96.03
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020131850	1	35	-2.0	-100.34	324.80	4.34	-96.00
CC1CCN(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020131851	0	39	-1.0	-42.01	316.83	3.02	-38.99
CC1CCN(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020131851	1	39	-1.0	-42.10	316.83	3.02	-39.08
O=C1NCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131852	0	38	-2.0	-123.67	340.13	1.60	-122.07
O=C1NCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020131852	1	38	-2.0	-123.61	340.17	1.61	-122.00
O=C1NCCC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131852	1	39	-1.0	-58.80	338.22	1.70	-57.10
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131853	0	39	-2.0	-124.39	365.59	1.33	-123.06
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131853	1	40	-1.0	-55.61	363.70	1.46	-54.15
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131853	1	39	-2.0	-124.35	365.62	1.34	-123.01
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131854	0	34	-2.0	-104.66	316.82	4.31	-100.35
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131854	1	34	-2.0	-104.68	316.85	4.32	-100.36
CC1=CC=C(C#N)C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131854	1	35	-1.0	-38.90	312.60	4.58	-34.32
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131855	0	37	-2.0	-121.39	341.73	2.15	-119.24
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131855	1	38	-1.0	-46.29	339.32	2.24	-44.05
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131855	1	37	-2.0	-121.34	341.77	2.16	-119.18
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020131856	0	35	-2.0	-107.78	332.93	4.50	-103.28
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020131856	1	35	-2.0	-107.71	332.96	4.51	-103.20
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC(Cl)=C2O1	REAL300020131857	0	38	-2.0	-108.95	354.32	4.27	-104.68
CC1CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC(Cl)=C2O1	REAL300020131857	1	39	-1.0	-46.65	352.55	4.38	-42.27
CC1CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC(Cl)=C2O1	REAL300020131857	1	39	-1.0	-46.62	352.57	4.38	-42.24
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020131858	0	40	-2.0	-133.04	355.41	2.94	-130.10
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020131858	1	41	-1.0	-61.25	352.23	2.99	-58.26
CC(=O)NC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C	REAL300020131858	1	41	-1.0	-61.24	351.89	2.98	-58.26
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131859	0	44	-2.0	-137.56	372.18	4.73	-132.83
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020131859	1	44	-2.0	-137.57	372.21	4.74	-132.83
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131859	1	45	-1.0	-53.74	371.69	4.89	-48.85
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131860	0	34	-2.0	-112.83	318.22	3.61	-109.22
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131860	1	34	-2.0	-112.74	318.26	3.62	-109.12
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131861	0	34	-2.0	-101.87	316.79	4.30	-97.57
CC1=CC(C#N)=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131861	1	35	-1.0	-40.61	312.98	4.58	-36.03
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131861	1	34	-2.0	-101.85	316.83	4.31	-97.54
CN(CC1CC1)S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131862	0	36	-1.0	-42.22	308.55	2.90	-39.32
CN(CC1CC1)S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131862	1	36	-1.0	-42.22	308.58	2.90	-39.32
O=C1OCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131863	0	39	-2.0	-118.53	349.24	3.21	-115.32
O=C1OCCN1C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131863	1	40	-1.0	-57.08	347.25	3.31	-53.77
O=C1OCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131863	1	39	-2.0	-118.44	349.27	3.23	-115.21
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC	REAL300020131864	0	40	-2.0	-110.12	362.63	3.85	-106.27
COC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC	REAL300020131864	1	41	-1.0	-44.94	360.71	3.94	-41.00
COC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC	REAL300020131864	1	41	-1.0	-44.95	360.73	3.94	-41.01
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC	REAL300020131864	1	40	-2.0	-110.08	362.66	3.87	-106.21
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020131865	0	31	-2.0	-106.68	306.85	3.60	-103.08
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020131865	1	31	-2.0	-106.66	306.88	3.61	-103.05
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300020131866	0	35	-2.0	-110.56	324.20	0.80	-109.76
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2O1	REAL300020131866	1	35	-2.0	-110.58	324.23	0.82	-109.76
CC1=NC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300020131866	1	36	-1.0	-45.57	322.17	0.90	-44.67
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131867	0	36	-2.0	-109.43	325.31	2.22	-107.21
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131867	1	36	-2.0	-109.38	325.34	2.24	-107.14
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CN=C2C=C1	REAL300020131868	0	35	-2.0	-113.45	321.51	3.53	-109.92
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CN=C2C=C1	REAL300020131868	1	36	-1.0	-49.39	319.45	3.61	-45.78
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CN=C2C=C1	REAL300020131868	1	35	-2.0	-113.38	321.55	3.54	-109.84
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131869	0	36	-2.0	-112.86	339.92	1.91	-110.95
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131869	1	36	-2.0	-112.82	339.96	1.92	-110.90
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1	REAL300020131870	0	36	-2.0	-122.08	324.51	1.57	-120.51
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1	REAL300020131870	1	36	-2.0	-122.01	324.55	1.59	-120.42
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020131871	0	33	-2.0	-111.29	322.37	4.95	-106.34
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020131871	1	33	-2.0	-111.35	322.41	4.96	-106.39
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)N1CCCCC1	REAL300020131872	0	36	-1.0	-43.25	295.58	2.39	-40.86
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)N1CCCCC1	REAL300020131872	1	36	-1.0	-43.30	295.47	2.39	-40.91
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL300020131873	0	39	-2.0	-114.63	352.75	4.52	-110.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL300020131873	1	39	-2.0	-114.57	352.78	4.53	-110.04
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131874	0	41	-2.0	-106.09	363.14	2.78	-103.31
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131875	0	34	-2.0	-108.09	337.68	4.43	-103.66
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131875	1	34	-2.0	-108.10	337.72	4.45	-103.65
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C(F)=C1	REAL300020131876	0	30	-2.0	-96.02	299.54	3.33	-92.69
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C(F)=C1	REAL300020131876	1	30	-2.0	-96.02	299.58	3.34	-92.68
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131877	0	41	-2.0	-109.16	363.17	4.98	-104.18
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131877	1	41	-2.0	-109.16	363.20	5.00	-104.16
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131877	1	42	-1.0	-48.29	361.16	5.08	-43.21
CC(C)OCCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131878	0	36	-2.0	-105.35	319.56	1.67	-103.68
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1C	REAL300020131879	0	37	-2.0	-114.62	341.71	3.24	-111.38
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1C	REAL300020131879	1	37	-2.0	-114.63	341.75	3.25	-111.38
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131880	0	45	-2.0	-112.32	370.99	5.93	-106.39
CCC(C)(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131880	1	46	-1.0	-44.08	369.11	6.03	-38.05
CCC(C)(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131880	1	46	-1.0	-44.01	369.13	6.03	-37.98
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131880	1	45	-2.0	-112.25	371.02	5.94	-106.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020131881	0	32	-3.0	-172.00	322.06	4.27	-167.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020131881	1	32	-3.0	-171.94	322.10	4.28	-167.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131882	0	32	-3.0	-173.61	313.52	3.74	-169.87
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131882	1	33	-2.0	-95.11	311.53	3.84	-91.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020131882	1	32	-3.0	-173.55	313.56	3.75	-169.80
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131883	0	38	-2.0	-120.28	347.03	2.56	-117.72
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131883	1	38	-2.0	-120.29	347.06	2.57	-117.72
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131883	1	39	-1.0	-47.21	344.70	2.62	-44.59
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC=C2F)N=C1	REAL300020131884	0	37	-2.0	-114.69	345.51	4.41	-110.28
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC=C2F)N=C1	REAL300020131884	1	37	-2.0	-114.65	345.55	4.43	-110.22
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C(F)=C1	REAL300020131885	0	30	-2.0	-102.11	307.55	3.81	-98.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C(F)=C1	REAL300020131885	1	30	-2.0	-102.07	307.58	3.82	-98.25
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C(F)=C1	REAL300020131885	1	31	-1.0	-38.93	305.62	3.91	-35.02
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131886	0	40	-2.0	-121.26	347.92	3.35	-117.91
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131886	1	41	-1.0	-48.74	345.37	3.45	-45.29
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131886	1	41	-1.0	-48.74	345.39	3.45	-45.29
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C)=C1F	REAL300020131887	0	36	-2.0	-106.25	327.59	4.47	-101.78
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C)=C1F	REAL300020131887	1	37	-1.0	-42.52	325.65	4.58	-37.94
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C)=C1F	REAL300020131887	1	37	-1.0	-42.47	325.68	4.58	-37.89
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(Br)=C1	REAL300020131888	0	30	-2.0	-101.61	307.55	3.81	-97.80
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(Br)=C1	REAL300020131888	1	31	-1.0	-39.02	305.61	3.90	-35.12
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(Br)=C1	REAL300020131888	1	30	-2.0	-101.55	307.58	3.82	-97.73
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131889	0	41	-2.0	-116.69	368.29	3.89	-112.80
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131889	1	41	-2.0	-116.69	368.32	3.90	-112.79
O=C1NC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300020131890	0	33	-2.0	-101.82	325.36	1.22	-100.60
O=C1NC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2O1	REAL300020131890	1	33	-2.0	-101.80	325.39	1.22	-100.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131891	0	29	-3.0	-177.07	301.26	2.83	-174.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131891	1	29	-3.0	-177.04	301.30	2.84	-174.20
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131892	0	39	-2.0	-121.79	345.29	4.10	-117.69
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131892	1	39	-2.0	-121.71	345.32	4.11	-117.60
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131893	0	32	-3.0	-179.98	315.43	3.77	-176.21
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131893	1	32	-3.0	-179.91	315.46	3.78	-176.13
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131893	1	33	-2.0	-87.89	313.54	3.87	-84.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020131894	0	35	-3.0	-185.70	334.77	4.41	-181.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020131894	1	35	-3.0	-185.66	334.80	4.42	-181.24
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131895	0	44	-2.0	-109.12	373.35	5.20	-103.92
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131895	1	44	-2.0	-109.06	373.38	5.21	-103.85
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131895	1	45	-1.0	-47.92	371.16	5.29	-42.63
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1	REAL300020131896	0	34	-2.0	-111.46	323.94	1.48	-109.98
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1	REAL300020131896	1	34	-2.0	-111.41	323.98	1.49	-109.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020131897	0	32	-3.0	-175.60	314.47	3.77	-171.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020131897	1	32	-3.0	-175.62	314.51	3.79	-171.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131898	0	32	-3.0	-172.10	321.49	4.11	-167.99
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131898	1	33	-2.0	-92.83	319.50	4.19	-88.64
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020131898	1	33	-2.0	-92.85	319.53	4.19	-88.66
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131899	0	33	-2.0	-107.87	300.93	3.96	-103.91
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131899	1	33	-2.0	-107.83	300.96	3.96	-103.87
CC1=C(F)C=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131899	1	34	-1.0	-48.35	297.34	3.68	-44.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020131900	0	33	-2.0	-109.32	320.04	4.34	-104.98
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020131900	1	34	-1.0	-45.27	318.20	4.44	-40.83
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Br	REAL300020131900	1	34	-1.0	-45.22	318.22	4.44	-40.78
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020131901	0	39	-2.0	-109.30	351.36	4.33	-104.97
COC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020131901	1	40	-1.0	-46.66	349.43	4.42	-42.24
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C	REAL300020131901	1	39	-2.0	-109.30	351.40	4.34	-104.96
COC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C	REAL300020131901	1	40	-1.0	-46.59	349.45	4.43	-42.16
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020131902	0	33	-2.0	-110.21	327.82	2.82	-107.39
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020131902	1	33	-2.0	-110.18	327.85	2.83	-107.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131903	0	36	-2.0	-103.71	339.87	3.82	-99.89
COC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131903	1	37	-1.0	-42.59	337.90	3.92	-38.67
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131903	1	36	-2.0	-103.67	339.91	3.83	-99.84
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131904	0	32	-2.0	-108.84	305.80	1.72	-107.12
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131904	1	32	-2.0	-108.77	305.83	1.73	-107.04
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131905	0	34	-2.0	-114.71	322.80	4.31	-110.40
N#CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131905	1	35	-1.0	-48.87	320.92	4.42	-44.45
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131905	1	34	-2.0	-114.66	322.84	4.32	-110.34
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1O	REAL300020131906	0	38	-2.0	-124.24	346.96	-0.69	-124.93
CCOC(=O)C1CCN(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020131907	0	45	-1.0	-44.49	372.45	3.97	-40.52
CCOC(=O)C1CCN(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020131907	1	45	-1.0	-44.55	372.46	3.97	-40.58
CCOC(=O)N1CCN(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020131908	0	44	-1.0	-45.41	365.34	2.05	-43.36
CCOC(=O)N1CCN(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020131908	1	44	-1.0	-45.49	365.29	2.05	-43.44
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131909	0	35	-3.0	-177.51	338.45	4.90	-172.61
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131909	1	36	-2.0	-86.65	334.18	5.17	-81.48
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131909	1	35	-3.0	-177.46	338.49	4.92	-172.54
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131910	0	36	-2.0	-105.34	334.77	4.92	-100.42
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131910	1	37	-1.0	-37.96	330.59	5.19	-32.77
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131910	1	36	-2.0	-105.34	334.81	4.92	-100.42
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131911	0	36	-2.0	-113.40	323.44	4.58	-108.82
CCC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131911	1	37	-1.0	-45.15	321.69	4.67	-40.48
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131911	1	36	-2.0	-113.39	323.47	4.59	-108.80
CCC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131911	1	37	-1.0	-45.08	321.71	4.67	-40.41
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2S1	REAL300020131912	0	33	-2.0	-109.27	336.19	5.08	-104.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL300020131912	1	33	-2.0	-109.20	336.22	5.09	-104.11
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131913	0	33	-2.0	-108.92	308.36	3.88	-105.04
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131913	1	33	-2.0	-108.88	308.40	3.88	-105.00
CC1=CC(F)=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131913	1	34	-1.0	-45.51	306.53	3.98	-41.53
CC(C)(C)CCS(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131914	0	39	-1.0	-42.31	320.96	3.45	-38.86
CC(C)(C)CCS(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131914	1	39	-1.0	-42.30	320.92	3.44	-38.86
CC(C)(C)CCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131914	1	38	-2.0	-106.54	320.49	3.37	-103.17
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131915	0	36	-2.0	-108.14	338.44	2.60	-105.54
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131915	1	36	-2.0	-108.06	338.47	2.60	-105.46
O=C1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020131916	0	36	-2.0	-106.74	331.94	2.20	-104.54
O=C1C=CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020131916	1	37	-1.0	-46.95	329.97	2.28	-44.67
O=C1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020131916	1	36	-2.0	-106.75	331.97	2.21	-104.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(F)=C1F	REAL300020131917	0	32	-3.0	-177.06	319.83	3.80	-173.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(F)=C1F	REAL300020131917	1	32	-3.0	-177.01	319.86	3.81	-173.20
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(F)=C1F	REAL300020131917	1	33	-2.0	-104.28	317.85	3.89	-100.39
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131918	0	34	-3.0	-173.82	337.20	4.37	-169.45
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131918	1	34	-3.0	-173.71	337.24	4.38	-169.33
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC2=CC=C(Cl)C=C12	REAL300020131919	0	33	-2.0	-112.77	333.89	5.01	-107.76
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC2=CC=C(Cl)C=C12	REAL300020131919	1	33	-2.0	-112.75	333.93	5.03	-107.72
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131920	0	40	-2.0	-118.72	363.48	3.60	-115.12
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131920	1	40	-2.0	-118.63	363.52	3.60	-115.03
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131921	0	42	-2.0	-113.27	368.44	5.12	-108.15
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131921	1	42	-2.0	-113.26	368.48	5.12	-108.14
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131921	1	43	-1.0	-41.14	364.06	5.39	-35.75
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300020131922	0	41	-2.0	-111.87	357.98	4.39	-107.48
CC1(C)CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2O1	REAL300020131922	1	42	-1.0	-44.88	356.13	4.50	-40.38
CC1(C)CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300020131922	1	42	-1.0	-44.87	356.11	4.49	-40.38
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(F)C=C1F	REAL300020131923	0	33	-2.0	-108.35	312.74	3.91	-104.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(F)C=C1F	REAL300020131923	1	33	-2.0	-108.33	312.77	3.92	-104.41
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C=CC2=CC=CC=C21	REAL300020131924	0	36	-2.0	-119.04	332.33	6.20	-112.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=CC2=CC=CC=C21	REAL300020131924	1	36	-2.0	-119.04	332.37	6.21	-112.83
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL300020131925	0	36	-2.0	-119.84	321.59	5.47	-114.37
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300020131925	1	36	-2.0	-119.81	321.62	5.47	-114.34
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL300020131925	1	37	-1.0	-48.11	321.27	5.61	-42.50
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2C=CSC2=C1	REAL300020131926	0	32	-2.0	-110.38	312.53	2.62	-107.76
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2C=CSC2=C1	REAL300020131926	1	32	-2.0	-110.37	312.57	2.63	-107.74
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020131927	0	35	-2.0	-103.94	340.56	5.00	-98.94
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020131927	1	35	-2.0	-103.90	340.60	5.00	-98.90
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020131928	0	34	-2.0	-99.23	337.18	4.33	-94.90
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020131928	1	34	-2.0	-99.21	337.22	4.34	-94.87
N#CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020131928	1	35	-1.0	-44.82	335.21	4.42	-40.40
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131929	0	37	-2.0	-110.12	358.40	2.23	-107.89
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131929	1	37	-2.0	-110.11	358.43	2.23	-107.88
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131930	0	33	-2.0	-107.19	313.70	4.44	-102.75
CC1=C(Br)C=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131930	1	34	-1.0	-47.70	310.14	4.14	-43.56
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131930	1	33	-2.0	-107.18	313.74	4.44	-102.74
CC1=C(Br)C=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131930	1	34	-1.0	-47.63	310.17	4.16	-43.47
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131931	0	33	-3.0	-181.29	318.72	1.41	-179.88
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131931	1	33	-3.0	-181.18	318.76	1.43	-179.75
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1CCCC2	REAL300020131932	0	40	-2.0	-115.03	335.85	5.77	-109.26
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1CCCC2	REAL300020131932	1	41	-1.0	-50.29	332.35	5.46	-44.83
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1CCCC2	REAL300020131932	1	41	-1.0	-50.27	332.38	5.47	-44.80
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131933	0	35	-3.0	-175.46	331.18	4.48	-170.98
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131933	1	36	-2.0	-94.39	329.30	4.59	-89.80
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131933	1	35	-3.0	-175.39	331.22	4.49	-170.90
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131934	0	37	-2.0	-111.71	350.43	2.66	-109.05
CC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131934	1	38	-1.0	-46.99	349.64	2.76	-44.23
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020131934	1	37	-2.0	-111.70	350.46	2.67	-109.03
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020131935	0	36	-2.0	-106.86	341.95	2.86	-104.00
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020131935	1	36	-2.0	-106.86	341.99	2.87	-103.99
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131936	0	32	-2.0	-100.17	315.18	3.88	-96.29
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131936	1	32	-2.0	-100.14	315.21	3.90	-96.24
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131937	0	35	-2.0	-118.19	334.10	4.11	-114.08
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131937	1	35	-2.0	-118.13	334.13	4.11	-114.02
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131938	0	42	-2.0	-111.21	371.28	4.68	-106.53
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020131938	1	42	-2.0	-111.28	371.32	4.69	-106.59
CC(C)N1N=CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131938	1	43	-1.0	-45.98	369.18	4.77	-41.21
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131939	0	35	-2.0	-98.87	336.28	4.97	-93.90
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131939	1	35	-2.0	-98.84	336.32	4.98	-93.86
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131939	1	36	-1.0	-35.08	332.59	5.21	-29.87
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131940	0	33	-2.0	-120.67	323.28	3.84	-116.83
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131940	1	33	-2.0	-120.71	323.32	3.84	-116.87
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)SC=C1	REAL300020131941	0	31	-2.0	-117.50	302.72	1.43	-116.07
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)SC=C1	REAL300020131941	1	31	-2.0	-117.46	302.75	1.43	-116.03
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131942	0	39	-2.0	-121.69	362.71	1.56	-120.13
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131942	1	39	-2.0	-121.62	362.75	1.58	-120.04
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131942	1	40	-1.0	-57.25	360.96	1.66	-55.59
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)OC2=CC=C(F)C=C21	REAL300020131943	0	36	-2.0	-114.04	337.30	4.25	-109.79
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)OC2=CC=C(F)C=C21	REAL300020131943	1	36	-2.0	-114.05	337.33	4.26	-109.79
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL300020131944	0	33	-2.0	-116.08	310.31	3.54	-112.54
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL300020131944	1	33	-2.0	-116.05	310.34	3.55	-112.50
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=CC=C2C=C1	REAL300020131945	0	38	-2.0	-128.98	342.06	4.38	-124.60
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=CC=C2C=C1	REAL300020131945	1	38	-2.0	-128.96	342.10	4.39	-124.57
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131946	0	41	-2.0	-106.80	363.85	2.64	-104.16
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131946	1	42	-1.0	-44.96	361.95	2.75	-42.21
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C2=CC=CC=C21	REAL300020131947	0	36	-2.0	-111.13	335.96	5.89	-105.24
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C2=CC=CC=C21	REAL300020131947	1	36	-2.0	-111.07	336.00	5.89	-105.18
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(F)=C1F	REAL300020131948	0	36	-2.0	-98.91	346.16	3.88	-95.03
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(F)=C1F	REAL300020131948	1	36	-2.0	-98.88	346.20	3.90	-94.98
COC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(F)=C1F	REAL300020131948	1	37	-1.0	-42.68	344.18	3.98	-38.70
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)SC2=CC=CC(F)=C21	REAL300020131949	0	36	-2.0	-115.84	338.04	5.35	-110.49
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)SC2=CC=CC(F)=C21	REAL300020131949	1	36	-2.0	-115.76	338.08	5.36	-110.40
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020131950	0	35	-2.0	-108.15	334.57	4.51	-103.64
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020131950	1	35	-2.0	-108.12	334.61	4.52	-103.60
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131951	0	32	-2.0	-115.66	313.79	1.90	-113.76
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131951	1	32	-2.0	-115.62	313.82	1.90	-113.72
O=[N+]([O-])C1=CC=CC=C1CCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131952	0	38	-2.0	-120.14	344.72	5.09	-115.05
O=[N+]([O-])C1=CC=CC=C1CCS(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131952	1	39	-1.0	-46.50	345.07	5.15	-41.35
O=[N+]([O-])C1=CC=CC=C1CCS(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131952	1	39	-1.0	-46.52	345.03	5.15	-41.37
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=NC2=C1Cl	REAL300020131953	0	35	-2.0	-101.92	341.54	3.11	-98.81
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=NC2=C1Cl	REAL300020131953	1	35	-2.0	-101.94	341.58	3.12	-98.82
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=CC=C1Br	REAL300020131954	0	30	-2.0	-114.11	300.18	4.08	-110.03
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=CC=C1Br	REAL300020131954	1	30	-2.0	-114.09	300.22	4.09	-110.00
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2N=C(Cl)SC2=C1	REAL300020131955	0	32	-2.0	-103.96	328.82	3.05	-100.91
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2N=C(Cl)SC2=C1	REAL300020131955	1	32	-2.0	-103.92	328.86	3.07	-100.85
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2N=C(Cl)SC2=C1	REAL300020131955	1	33	-1.0	-42.03	326.95	3.15	-38.88
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131956	0	30	-2.0	-101.94	296.58	2.06	-99.88
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131956	1	30	-2.0	-101.95	296.61	2.07	-99.88
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)N=C1Cl	REAL300020131957	0	30	-2.0	-118.79	300.90	1.96	-116.83
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)N=C1Cl	REAL300020131957	1	30	-2.0	-118.76	300.93	1.97	-116.79
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131958	0	38	-2.0	-115.89	339.53	1.75	-114.14
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131958	1	38	-2.0	-115.89	339.56	1.76	-114.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1F	REAL300020131959	0	32	-3.0	-178.96	329.72	4.23	-174.73
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1F	REAL300020131959	1	33	-2.0	-105.18	327.73	4.32	-100.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1F	REAL300020131959	1	32	-3.0	-178.90	329.75	4.25	-174.65
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1F	REAL300020131959	1	33	-2.0	-105.24	327.75	4.32	-100.92
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NON=C21	REAL300020131960	0	31	-2.0	-117.22	296.39	1.88	-115.34
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=NON=C21	REAL300020131960	1	31	-2.0	-117.24	296.42	1.89	-115.35
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131961	0	31	-2.0	-101.32	302.77	0.97	-100.35
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131961	1	31	-2.0	-101.29	302.80	0.97	-100.32
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131962	0	29	-2.0	-108.11	289.07	0.97	-107.14
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131962	1	29	-2.0	-108.11	289.11	0.98	-107.13
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020131963	0	36	-2.0	-103.96	347.86	4.19	-99.77
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020131963	1	36	-2.0	-103.97	347.89	4.20	-99.77
COC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020131963	1	37	-1.0	-41.75	345.89	4.28	-37.47
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131964	0	35	-2.0	-97.71	328.34	4.63	-93.08
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131964	1	35	-2.0	-97.65	328.37	4.63	-93.02
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131964	1	36	-1.0	-35.41	324.64	4.88	-30.53
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131965	0	35	-3.0	-191.06	319.05	4.34	-186.72
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131965	1	36	-2.0	-113.54	315.84	4.58	-108.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131965	1	36	-2.0	-113.45	315.87	4.58	-108.87
COCCOCCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131966	0	37	-2.0	-108.08	332.92	0.18	-107.90
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300020131967	0	37	-2.0	-131.75	345.16	1.01	-130.74
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300020131967	1	37	-2.0	-131.75	345.19	1.02	-130.73
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300020131967	1	38	-1.0	-63.92	343.38	1.10	-62.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1F	REAL300020131968	0	35	-3.0	-188.19	333.85	4.35	-183.84
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1F	REAL300020131968	1	36	-2.0	-93.32	331.87	4.45	-88.87
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1F	REAL300020131968	1	36	-2.0	-93.27	331.89	4.45	-88.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1F	REAL300020131968	1	35	-3.0	-188.12	333.89	4.37	-183.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131969	0	35	-3.0	-173.97	324.42	4.48	-169.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131969	1	36	-2.0	-94.29	321.44	4.70	-89.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131969	1	36	-2.0	-94.36	321.41	4.70	-89.66
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2F)N=C1	REAL300020131970	0	40	-2.0	-111.60	365.15	5.18	-106.42
CC1=CN(C2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2F)N=C1	REAL300020131970	1	41	-1.0	-44.98	362.26	5.10	-39.88
CC1=CN(C2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2F)N=C1	REAL300020131970	1	41	-1.0	-44.96	362.29	5.11	-39.85
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2F)N=C1	REAL300020131970	1	40	-2.0	-111.58	365.19	5.19	-106.39
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020131971	0	31	-2.0	-107.24	309.83	3.81	-103.43
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020131971	1	31	-2.0	-107.24	309.87	3.83	-103.41
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1	REAL300020131972	0	43	-2.0	-111.10	376.46	3.81	-107.29
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1	REAL300020131972	1	43	-2.0	-111.06	376.50	3.83	-107.23
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131973	0	33	-2.0	-110.58	312.76	3.91	-106.67
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020131973	1	33	-2.0	-110.55	312.80	3.92	-106.63
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020131974	0	36	-2.0	-100.45	336.06	3.89	-96.56
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020131974	1	36	-2.0	-100.42	336.10	3.90	-96.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1C	REAL300020131975	0	38	-3.0	-195.83	346.51	4.90	-190.93
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1C	REAL300020131975	1	39	-2.0	-115.35	339.79	4.86	-110.49
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1C	REAL300020131975	1	39	-2.0	-115.34	339.81	4.86	-110.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1C	REAL300020131975	1	38	-3.0	-195.77	346.54	4.91	-190.86
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=C(Cl)C=C21	REAL300020131976	0	36	-2.0	-120.24	338.28	5.96	-114.28
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=C(Cl)C=C21	REAL300020131976	1	36	-2.0	-120.22	338.32	5.98	-114.24
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131977	0	36	-2.0	-113.55	345.63	0.69	-112.86
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020131977	1	36	-2.0	-113.58	345.67	0.70	-112.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020131978	0	34	-3.0	-185.86	335.57	4.79	-181.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020131978	1	34	-3.0	-185.79	335.60	4.80	-180.99
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2S1	REAL300020131979	0	33	-2.0	-109.26	325.88	4.64	-104.62
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2S1	REAL300020131979	1	33	-2.0	-109.20	325.92	4.65	-104.55
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1CC	REAL300020131980	0	42	-2.0	-114.73	357.60	5.71	-109.02
CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1CC	REAL300020131980	1	43	-1.0	-44.75	355.76	5.81	-38.94
CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1CC	REAL300020131980	1	43	-1.0	-44.74	355.79	5.81	-38.93
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131981	0	32	-3.0	-176.03	320.74	3.83	-172.20
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131981	1	32	-3.0	-175.97	320.78	3.84	-172.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1F	REAL300020131982	0	35	-2.0	-101.11	333.60	4.47	-96.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1F	REAL300020131982	1	35	-2.0	-101.10	333.64	4.48	-96.62
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1F	REAL300020131982	1	36	-1.0	-38.58	331.65	4.57	-34.01
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C=CN=C1Cl	REAL300020131983	0	29	-2.0	-107.57	299.51	2.59	-104.98
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=CN=C1Cl	REAL300020131983	1	29	-2.0	-107.54	299.55	2.60	-104.94
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131984	0	36	-2.0	-119.40	325.99	3.52	-115.88
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131984	1	36	-2.0	-119.38	326.03	3.53	-115.85
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131985	0	35	-2.0	-103.06	331.29	1.97	-101.09
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131985	1	35	-2.0	-103.04	331.32	1.98	-101.06
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(Cl)C=C1Cl	REAL300020131986	0	29	-2.0	-99.17	305.97	2.33	-96.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(Cl)C=C1Cl	REAL300020131986	1	29	-2.0	-99.13	306.01	2.33	-96.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C(=O)[O-]	REAL300020131987	0	38	-3.0	-196.28	343.49	5.09	-191.19
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1C(=O)[O-]	REAL300020131987	1	39	-2.0	-118.56	339.41	5.35	-113.21
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C(=O)[O-]	REAL300020131987	1	39	-2.0	-118.61	339.38	5.35	-113.26
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131988	0	35	-3.0	-186.51	334.32	4.39	-182.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131988	1	35	-3.0	-186.47	334.36	4.41	-182.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020131989	0	35	-3.0	-182.65	340.77	4.84	-177.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020131989	1	35	-3.0	-182.56	340.81	4.85	-177.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131990	0	35	-3.0	-201.76	334.04	4.39	-197.37
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131990	1	35	-3.0	-201.68	334.08	4.41	-197.27
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300020131991	0	30	-2.0	-98.85	307.79	3.62	-95.23
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300020131991	1	30	-2.0	-98.79	307.82	3.63	-95.16
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131992	0	38	-2.0	-122.03	343.63	4.41	-117.62
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131992	1	38	-2.0	-122.00	343.66	4.42	-117.58
CCC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131992	1	39	-1.0	-56.13	341.73	4.51	-51.62
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131993	0	37	-2.0	-106.78	340.30	0.75	-106.03
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131993	1	37	-2.0	-106.70	340.34	0.76	-105.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C([N+](=O)[O-])=N1	REAL300020131994	0	35	-2.0	-117.70	330.86	3.98	-113.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C([N+](=O)[O-])=N1	REAL300020131994	1	35	-2.0	-117.66	330.90	3.98	-113.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1Br	REAL300020131995	0	30	-2.0	-104.60	303.44	3.92	-100.68
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1Br	REAL300020131995	1	30	-2.0	-104.49	303.47	3.92	-100.57
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Br	REAL300020131996	0	33	-2.0	-111.45	315.23	4.41	-107.04
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Br	REAL300020131996	1	33	-2.0	-111.41	315.27	4.42	-106.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131997	0	38	-3.0	-193.00	343.33	4.89	-188.11
CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131997	1	39	-2.0	-92.49	341.37	4.99	-87.50
CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131997	1	39	-2.0	-92.51	341.39	4.99	-87.52
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCOCC2)N=C1	REAL300020131998	0	41	-2.0	-109.03	357.71	1.68	-107.35
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCOCC2)N=C1	REAL300020131998	1	41	-2.0	-109.03	357.74	1.69	-107.34
CN(C1CCCC1)S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131999	0	39	-1.0	-41.79	316.21	3.06	-38.73
CN(C1CCCC1)S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131999	1	39	-1.0	-41.79	316.17	3.06	-38.73
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)N1CCC2(CCCCC2)CC1	REAL300020132000	0	49	-1.0	-42.01	364.83	4.88	-37.13
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)N1CCC2(CCCCC2)CC1	REAL300020132000	1	49	-1.0	-42.03	364.80	4.88	-37.15
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C#N	REAL300020132001	0	34	-2.0	-120.10	317.80	3.93	-116.17
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C#N	REAL300020132001	1	34	-2.0	-120.04	317.83	3.93	-116.11
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132002	0	36	-2.0	-86.85	325.40	3.90	-82.95
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132002	1	35	-3.0	-172.84	329.06	3.65	-169.19
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132002	1	36	-2.0	-86.88	325.36	3.90	-82.98
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132003	0	39	-2.0	-112.34	353.54	4.79	-107.55
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132003	1	39	-2.0	-112.29	353.58	4.80	-107.49
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132004	0	36	-2.0	-121.96	328.04	3.88	-118.08
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132004	1	36	-2.0	-121.95	328.07	3.90	-118.05
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCOC2)N=C1	REAL300020132005	0	38	-2.0	-107.14	338.60	0.89	-106.25
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCOC2)N=C1	REAL300020132005	1	38	-2.0	-107.08	338.64	0.90	-106.18
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC(F)F)C=C1	REAL300020132006	0	37	-2.0	-112.86	344.90	3.69	-109.17
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL300020132006	1	38	-1.0	-50.05	342.99	3.79	-46.26
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC(F)F)C=C1	REAL300020132006	1	38	-1.0	-50.07	342.96	3.78	-46.29
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020132007	0	33	-2.0	-118.04	306.36	3.85	-114.19
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020132007	1	33	-2.0	-117.97	306.40	3.86	-114.11
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132008	0	36	-2.0	-105.27	329.60	0.76	-104.51
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132008	1	36	-2.0	-105.19	329.63	0.77	-104.42
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN2CCCCC2=N1	REAL300020132009	0	37	-2.0	-126.02	326.49	3.17	-122.85
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN2CCCCC2=N1	REAL300020132009	1	37	-2.0	-125.92	326.53	3.18	-122.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1CC(=O)[O-]	REAL300020132010	0	39	-3.0	-199.57	359.47	3.83	-195.74
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1CC(=O)[O-]	REAL300020132010	1	40	-2.0	-120.42	357.60	3.93	-116.49
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1CC(=O)[O-]	REAL300020132010	1	40	-2.0	-120.37	357.63	3.93	-116.44
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132011	0	37	-2.0	-113.51	335.63	2.87	-110.64
COCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132011	1	38	-1.0	-44.79	333.70	2.97	-41.82
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132011	1	37	-2.0	-113.49	335.66	2.88	-110.61
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132012	0	35	-2.0	-111.26	319.81	0.13	-111.13
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132012	1	35	-2.0	-111.21	319.85	0.14	-111.07
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020132013	0	33	-2.0	-112.81	312.41	4.28	-108.53
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020132013	1	33	-2.0	-112.76	312.45	4.29	-108.47
CC1CCN(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020132014	0	36	-1.0	-43.20	302.81	2.15	-41.05
CC1CCN(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020132014	1	36	-1.0	-43.26	302.77	2.15	-41.11
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(C)O1	REAL300020132015	0	33	-2.0	-108.90	303.53	2.72	-106.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(C)O1	REAL300020132015	1	33	-2.0	-108.87	303.56	2.73	-106.14
O=C1COC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C2N1	REAL300020132016	0	36	-2.0	-117.20	326.79	0.82	-116.38
O=C1COC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C2N1	REAL300020132016	1	36	-2.0	-117.18	326.83	0.84	-116.34
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCCC2=C1	REAL300020132017	0	38	-2.0	-112.88	334.25	3.77	-109.11
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCCC2=C1	REAL300020132017	1	39	-1.0	-44.56	332.32	3.87	-40.69
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCCC2=C1	REAL300020132017	1	39	-1.0	-44.58	332.30	3.86	-40.72
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020132018	0	43	-2.0	-111.21	378.88	5.76	-105.45
COC(=O)C1(C2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020132018	1	44	-1.0	-46.93	377.09	5.87	-41.06
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC1	REAL300020132018	1	43	-2.0	-111.24	378.91	5.78	-105.46
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132019	0	39	-2.0	-107.93	363.61	4.79	-103.14
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132019	1	39	-2.0	-107.89	363.64	4.80	-103.09
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132020	0	37	-2.0	-110.74	327.16	3.17	-107.57
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132020	1	37	-2.0	-110.70	327.19	3.17	-107.53
COCC1=CC=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132020	1	38	-1.0	-48.47	323.78	2.90	-45.57
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(=O)OC)O1	REAL300020132021	0	39	-2.0	-101.79	353.48	3.69	-98.10
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(=O)OC)O1	REAL300020132021	1	39	-2.0	-101.76	353.53	3.69	-98.07
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132022	0	40	-2.0	-110.25	349.81	3.99	-106.26
CC(C)OC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132022	1	41	-1.0	-44.96	348.71	4.14	-40.82
CC(C)OC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132022	1	41	-1.0	-45.02	348.69	4.13	-40.89
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020132023	0	30	-2.0	-112.05	285.14	1.96	-110.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020132023	1	30	-2.0	-112.05	285.18	1.97	-110.08
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132024	0	33	-2.0	-112.62	314.18	3.56	-109.06
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132024	1	33	-2.0	-112.57	314.21	3.57	-109.00
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300020132025	0	33	-2.0	-108.98	306.60	1.80	-107.18
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300020132025	1	34	-1.0	-47.06	304.70	1.90	-45.16
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300020132025	1	33	-2.0	-108.92	306.64	1.82	-107.10
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL300020132026	0	38	-2.0	-127.51	334.18	4.90	-122.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL300020132026	1	38	-2.0	-127.49	334.21	4.91	-122.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C1=CC=NO1	REAL300020132027	0	36	-2.0	-113.88	329.82	5.15	-108.73
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1C1=CC=NO1	REAL300020132027	1	36	-2.0	-113.83	329.86	5.15	-108.68
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132028	0	32	-2.0	-97.36	313.28	3.84	-93.52
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132028	1	32	-2.0	-97.32	313.32	3.85	-93.47
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132029	0	35	-3.0	-182.60	335.27	4.89	-177.71
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132029	1	36	-2.0	-105.23	332.53	5.09	-100.14
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132029	1	35	-3.0	-182.53	335.31	4.89	-177.64
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(Cl)=C1	REAL300020132030	0	30	-2.0	-102.49	303.69	3.72	-98.77
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(Cl)=C1	REAL300020132030	1	30	-2.0	-102.48	303.72	3.74	-98.74
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(C)O1	REAL300020132031	0	36	-2.0	-104.14	338.38	2.70	-101.44
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(C)O1	REAL300020132031	1	36	-2.0	-104.06	338.42	2.71	-101.35
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(Cl)=C1	REAL300020132032	0	29	-2.0	-102.66	292.29	1.84	-100.82
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(Cl)=C1	REAL300020132032	1	29	-2.0	-102.66	292.33	1.85	-100.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1Cl	REAL300020132033	0	35	-3.0	-187.70	340.24	4.66	-183.04
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1Cl	REAL300020132033	1	36	-2.0	-91.02	338.26	4.76	-86.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1Cl	REAL300020132033	1	35	-3.0	-187.61	340.28	4.67	-182.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)N=C1C	REAL300020132034	0	36	-2.0	-124.51	326.26	2.93	-121.58
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)N=C1C	REAL300020132034	1	36	-2.0	-124.41	326.29	2.94	-121.47
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132035	0	33	-2.0	-110.87	318.45	4.51	-106.36
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132035	1	33	-2.0	-110.88	318.49	4.52	-106.36
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132036	0	33	-2.0	-112.21	315.09	4.36	-107.85
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132036	1	33	-2.0	-112.22	315.13	4.38	-107.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020132037	0	36	-3.0	-189.70	337.03	3.91	-185.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020132037	1	36	-3.0	-189.61	337.07	3.93	-185.68
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132038	0	33	-2.0	-110.66	320.43	1.88	-108.78
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132038	1	33	-2.0	-110.61	320.47	1.89	-108.72
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132039	0	42	-2.0	-111.13	360.03	3.70	-107.43
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132039	1	42	-2.0	-111.11	360.06	3.71	-107.40
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1C	REAL300020132040	0	40	-2.0	-114.24	363.58	4.17	-110.07
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1C	REAL300020132040	1	40	-2.0	-114.24	363.61	4.18	-110.06
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132041	0	38	-2.0	-107.90	340.23	5.08	-102.82
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132041	1	38	-2.0	-107.93	340.27	5.08	-102.85
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=CC=C1Cl	REAL300020132042	0	30	-2.0	-115.03	296.60	3.94	-111.09
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=CC=C1Cl	REAL300020132042	1	30	-2.0	-115.06	296.63	3.95	-111.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=N1	REAL300020132043	0	32	-2.0	-110.90	310.44	2.47	-108.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=N1	REAL300020132043	1	32	-2.0	-110.91	310.47	2.47	-108.44
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132044	0	35	-2.0	-108.08	329.59	3.33	-104.75
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132044	1	35	-2.0	-108.04	329.63	3.34	-104.70
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020132045	0	37	-2.0	-111.09	345.62	4.33	-106.76
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020132045	1	37	-2.0	-111.07	345.65	4.35	-106.72
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020132046	0	34	-2.0	-108.09	335.75	4.62	-103.47
CSC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020132046	1	35	-1.0	-46.21	333.87	4.72	-41.49
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020132046	1	34	-2.0	-108.10	335.79	4.63	-103.47
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132047	0	32	-2.0	-107.80	310.56	1.72	-106.08
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132047	1	32	-2.0	-107.74	310.59	1.74	-106.00
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020132048	0	37	-2.0	-101.52	341.78	0.86	-100.66
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020132048	1	37	-2.0	-101.48	341.82	0.87	-100.61
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132049	0	32	-2.0	-105.83	318.68	3.47	-102.36
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132049	1	32	-2.0	-105.80	318.71	3.48	-102.32
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132050	0	41	-1.0	-49.50	364.33	-0.21	-49.71
CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132050	1	40	-2.0	-111.11	363.19	-0.25	-111.36
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132050	1	41	-1.0	-49.55	364.29	-0.21	-49.76
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN=C1Cl	REAL300020132051	0	33	-2.0	-101.51	321.39	1.10	-100.41
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN=C1Cl	REAL300020132051	1	33	-2.0	-101.55	321.43	1.12	-100.43
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132052	0	39	-2.0	-107.39	356.48	4.11	-103.28
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020132052	1	39	-2.0	-107.40	356.52	4.12	-103.28
CCN1C(=O)OC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132052	1	40	-1.0	-42.59	354.56	4.20	-38.39
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC3=C2N1CCC3	REAL300020132053	0	42	-2.0	-110.61	364.73	4.61	-106.00
O=C1CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC3=C2N1CCC3	REAL300020132053	1	43	-1.0	-45.86	362.87	4.67	-41.19
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC3=C2N1CCC3	REAL300020132053	1	42	-2.0	-110.58	364.77	4.62	-105.96
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)N=C1	REAL300020132054	0	32	-2.0	-100.53	316.05	2.46	-98.07
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)N=C1	REAL300020132054	1	32	-2.0	-100.46	316.08	2.47	-97.99
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132055	0	36	-2.0	-108.32	341.75	3.87	-104.45
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132055	1	36	-2.0	-108.31	341.79	3.88	-104.43
O=S(=O)(F)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132056	0	33	-2.0	-108.86	325.91	0.37	-108.49
O=S(=O)(F)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132056	1	33	-2.0	-108.88	325.95	0.38	-108.50
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132057	0	45	-2.0	-110.85	378.94	4.59	-106.26
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132057	1	45	-2.0	-110.79	378.98	4.61	-106.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1F	REAL300020132058	0	37	-2.0	-107.95	330.63	3.25	-104.70
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1F	REAL300020132058	1	38	-1.0	-46.59	326.68	3.53	-43.06
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1F	REAL300020132058	1	38	-1.0	-46.61	326.73	3.53	-43.08
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1F	REAL300020132058	1	37	-2.0	-107.98	330.67	3.26	-104.72
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020132059	0	31	-2.0	-102.34	314.43	4.11	-98.23
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020132059	1	31	-2.0	-102.34	314.47	4.11	-98.23
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C2OC=CC2=CC=C1	REAL300020132060	0	33	-2.0	-120.97	308.48	3.46	-117.51
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C2OC=CC2=CC=C1	REAL300020132060	1	33	-2.0	-120.86	308.51	3.48	-117.38
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132061	0	35	-2.0	-108.10	330.50	2.00	-106.10
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132061	1	35	-2.0	-108.12	330.53	2.02	-106.10
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)O1	REAL300020132062	0	27	-2.0	-106.11	284.93	1.87	-104.24
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)O1	REAL300020132062	1	27	-2.0	-106.07	284.96	1.88	-104.19
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(C2=CC=CC=C2)S1	REAL300020132063	0	39	-2.0	-125.71	363.74	4.56	-121.15
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(C2=CC=CC=C2)S1	REAL300020132063	1	39	-2.0	-125.69	363.78	4.57	-121.12
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL300020132064	0	39	-2.0	-126.00	356.59	2.12	-123.88
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL300020132064	1	39	-2.0	-125.97	356.62	2.13	-123.84
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020132065	0	38	-2.0	-105.84	340.24	5.09	-100.75
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020132065	1	38	-2.0	-105.84	340.28	5.09	-100.75
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020132065	1	39	-1.0	-37.59	339.16	5.47	-32.12
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C(F)=CC(F)=C1F	REAL300020132066	0	30	-2.0	-107.95	301.62	3.54	-104.41
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C(F)=CC(F)=C1F	REAL300020132066	1	30	-2.0	-107.93	301.66	3.56	-104.37
O=S(=O)(CC1CCCOC1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132067	0	37	-2.0	-106.79	313.70	1.94	-104.85
O=S(=O)(CC1CCCOC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132067	1	38	-1.0	-43.28	314.18	2.00	-41.28
O=S(=O)(CC1CCCOC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132067	1	38	-1.0	-43.29	314.14	2.00	-41.29
CN(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132068	0	39	-1.0	-46.15	329.32	3.63	-42.52
CN(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132068	1	39	-1.0	-46.21	329.31	3.63	-42.58
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132068	1	38	-2.0	-114.59	333.05	3.56	-111.03
O=S(=O)(CCC1=CC=CS1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132069	0	33	-2.0	-106.31	315.40	3.79	-102.52
O=S(=O)(CCC1=CC=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132069	1	34	-1.0	-42.43	315.89	3.86	-38.57
O=S(=O)(CCC1=CC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132069	1	34	-1.0	-42.42	315.85	3.86	-38.56
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132070	0	42	-2.0	-112.01	372.63	5.50	-106.51
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132070	1	42	-2.0	-112.01	372.67	5.51	-106.50
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132070	1	43	-1.0	-40.65	368.43	5.76	-34.89
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1Cl	REAL300020132071	0	30	-2.0	-103.35	315.72	4.25	-99.10
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1Cl	REAL300020132071	1	30	-2.0	-103.36	315.76	4.26	-99.10
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132072	0	30	-2.0	-104.83	309.54	3.36	-101.47
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132072	1	30	-2.0	-104.81	309.57	3.37	-101.44
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(OC)=C1	REAL300020132073	0	40	-2.0	-112.41	363.53	3.59	-108.82
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(OC)=C1	REAL300020132073	1	40	-2.0	-112.39	363.57	3.61	-108.78
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)F)=C1	REAL300020132074	0	33	-2.0	-112.36	312.73	4.01	-108.35
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(F)F)=C1	REAL300020132074	1	33	-2.0	-112.32	312.76	4.03	-108.29
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)F)=C1	REAL300020132074	1	34	-1.0	-47.85	310.98	4.11	-43.74
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1F	REAL300020132075	0	33	-2.0	-106.89	324.79	4.20	-102.69
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1F	REAL300020132075	1	33	-2.0	-106.81	324.82	4.21	-102.60
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132076	0	33	-2.0	-108.77	323.27	4.43	-104.34
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132076	1	33	-2.0	-108.73	323.30	4.44	-104.29
CC1=CC(Br)=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132076	1	34	-1.0	-44.52	321.43	4.53	-39.99
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC(F)F)N=C1	REAL300020132077	0	33	-2.0	-108.36	319.62	1.99	-106.37
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC(F)F)N=C1	REAL300020132077	1	33	-2.0	-108.33	319.66	2.00	-106.33
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132078	0	34	-2.0	-115.83	316.63	4.20	-111.63
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132078	1	34	-2.0	-115.85	316.67	4.21	-111.64
O=S(=O)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132079	0	33	-2.0	-112.25	325.91	0.38	-111.87
O=S(=O)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132079	1	33	-2.0	-112.20	325.95	0.39	-111.81
O=S(=O)(F)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132079	1	34	-1.0	-48.18	325.39	0.34	-47.84
COC(=O)C(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020132080	0	42	-2.0	-115.91	370.91	5.91	-110.00
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300020132081	0	38	-2.0	-107.72	349.98	4.42	-103.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300020132081	1	38	-2.0	-107.72	350.02	4.44	-103.28
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=CS1	REAL300020132082	0	36	-2.0	-120.03	335.77	4.33	-115.70
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C)=CS1	REAL300020132082	1	36	-2.0	-119.96	335.80	4.34	-115.62
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020132083	0	34	-2.0	-104.34	316.26	2.52	-101.82
COC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020132083	1	35	-1.0	-42.77	314.32	2.61	-40.16
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020132083	1	34	-2.0	-104.36	316.30	2.53	-101.83
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=CS1	REAL300020132084	0	29	-2.0	-116.56	293.24	3.55	-113.01
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=CS1	REAL300020132084	1	29	-2.0	-116.55	293.28	3.56	-112.99
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132085	0	29	-2.0	-99.08	273.98	-0.39	-99.47
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132085	1	29	-2.0	-99.06	274.01	-0.38	-99.44
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CN=C21	REAL300020132086	0	35	-2.0	-106.69	324.90	2.27	-104.42
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CN=C21	REAL300020132086	1	35	-2.0	-106.67	324.93	2.28	-104.39
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020132087	0	29	-2.0	-101.28	301.71	2.91	-98.37
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020132087	1	29	-2.0	-101.24	301.75	2.92	-98.32
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2OCC1	REAL300020132088	0	39	-2.0	-112.33	342.59	4.58	-107.75
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2OCC1	REAL300020132088	1	40	-1.0	-46.15	341.42	4.77	-41.38
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2OCC1	REAL300020132088	1	40	-1.0	-46.18	341.39	4.77	-41.41
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132089	0	38	-2.0	-112.18	347.72	1.36	-110.82
COC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132089	1	39	-1.0	-49.48	345.56	1.48	-48.00
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132089	1	38	-2.0	-112.12	347.75	1.37	-110.75
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020132090	0	36	-2.0	-100.25	344.03	3.97	-96.28
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020132090	1	36	-2.0	-100.21	344.06	3.99	-96.22
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2CCCN12	REAL300020132091	0	34	-2.0	-117.97	308.67	2.58	-115.39
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2CCCN12	REAL300020132091	1	34	-2.0	-117.93	308.71	2.59	-115.34
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132092	0	31	-2.0	-104.65	314.47	4.11	-100.54
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132092	1	31	-2.0	-104.62	314.50	4.11	-100.51
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC(F)(F)F)N=C1	REAL300020132093	0	33	-2.0	-106.73	324.50	2.21	-104.52
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC(F)(F)F)N=C1	REAL300020132093	1	33	-2.0	-106.69	324.54	2.22	-104.47
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132094	0	36	-2.0	-106.99	305.95	4.97	-102.02
CCC1=CC=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132094	1	37	-1.0	-49.04	307.31	4.37	-44.67
CCC1=CC=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132094	1	37	-1.0	-49.04	307.34	4.37	-44.67
O=S(=O)(CCCCCl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132095	0	33	-1.0	-42.95	304.37	3.15	-39.80
O=S(=O)(CCCCCl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132095	1	33	-1.0	-42.94	304.33	3.15	-39.79
O=S(=O)(CCCCCl)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132095	1	32	-2.0	-104.21	303.91	3.08	-101.13
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132096	0	33	-2.0	-104.03	317.33	4.52	-99.51
CC1=CC(Br)=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132096	1	34	-1.0	-39.54	313.16	4.81	-34.73
CC1=CC(Br)=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132096	1	34	-1.0	-39.50	313.18	4.81	-34.69
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=CC=CC(F)=C12	REAL300020132097	0	34	-2.0	-125.12	318.93	3.22	-121.90
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=CC=CC(F)=C12	REAL300020132097	1	34	-2.0	-125.07	318.98	3.23	-121.84
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132098	0	43	-2.0	-110.81	370.74	4.60	-106.21
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132098	1	43	-2.0	-110.79	370.77	4.61	-106.18
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1F	REAL300020132099	0	30	-2.0	-108.73	307.34	3.83	-104.90
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1F	REAL300020132099	1	30	-2.0	-108.77	307.38	3.84	-104.93
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=CC=C12	REAL300020132100	0	38	-2.0	-127.63	338.43	4.32	-123.31
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=CC=C12	REAL300020132100	1	38	-2.0	-127.61	338.47	4.33	-123.28
CC(C)(C#N)CCS(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132101	0	37	-1.0	-43.75	320.24	3.06	-40.69
CC(C)(C#N)CCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132101	1	36	-2.0	-102.68	319.78	2.99	-99.69
CC(C)(C#N)CCS(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132101	1	37	-1.0	-43.78	320.21	3.06	-40.72
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132102	0	34	-2.0	-114.71	331.81	0.44	-114.27
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132102	1	34	-2.0	-114.69	331.84	0.45	-114.24
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132102	1	35	-1.0	-44.78	329.84	0.53	-44.25
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NSN=C21	REAL300020132103	0	31	-2.0	-117.74	305.32	1.44	-116.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=NSN=C21	REAL300020132103	1	31	-2.0	-117.71	305.35	1.45	-116.26
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132104	0	33	-2.0	-108.88	305.12	0.61	-108.27
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132104	1	33	-2.0	-108.85	305.15	0.62	-108.23
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Br)=C1F	REAL300020132105	0	30	-2.0	-113.36	306.62	3.82	-109.54
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Br)=C1F	REAL300020132105	1	30	-2.0	-113.29	306.66	3.83	-109.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020132106	0	40	-2.0	-108.10	362.61	3.86	-104.24
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020132106	1	40	-2.0	-108.03	362.65	3.87	-104.16
COCCOCCOCCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132107	0	44	-2.0	-110.26	388.40	0.51	-109.75
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)OCO2	REAL300020132108	0	36	-2.0	-107.09	322.04	2.57	-104.52
CC1=CC2=C(C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1)OCO2	REAL300020132108	1	37	-1.0	-40.10	317.91	2.84	-37.26
CC1=CC2=C(C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1)OCO2	REAL300020132108	1	37	-1.0	-40.09	317.95	2.84	-37.25
CCCC(CC)S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132109	0	39	-1.0	-40.08	302.94	3.85	-36.23
CCCC(CC)S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132109	1	39	-1.0	-40.13	302.90	3.85	-36.28
CCCC(CC)S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132109	1	38	-2.0	-108.10	319.61	3.89	-104.21
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132110	0	36	-2.0	-112.77	330.74	4.34	-108.43
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132110	1	36	-2.0	-112.82	330.78	4.35	-108.47
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020132111	0	35	-3.0	-184.67	342.78	4.77	-179.90
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020132111	1	36	-2.0	-105.03	336.51	4.73	-100.30
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020132111	1	35	-3.0	-184.59	342.82	4.78	-179.81
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132112	0	40	-2.0	-112.33	351.65	2.97	-109.36
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132112	1	40	-2.0	-112.28	351.68	2.98	-109.30
CN(C)C(=O)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132112	1	41	-1.0	-51.26	349.03	3.07	-48.19
O=C1CCC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020132113	0	36	-2.0	-117.52	341.75	4.70	-112.82
O=C1CCC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020132113	1	36	-2.0	-117.50	341.79	4.71	-112.79
O=S(=O)(CC1=CC=CC(Cl)=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132114	0	33	-2.0	-107.82	320.41	4.41	-103.41
O=S(=O)(CC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132114	1	34	-1.0	-42.58	320.85	4.51	-38.07
O=S(=O)(CC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132114	1	34	-1.0	-42.62	320.81	4.51	-38.11
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132115	0	33	-2.0	-115.58	325.21	0.63	-114.95
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132115	1	33	-2.0	-115.61	325.24	0.64	-114.97
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132116	0	37	-2.0	-111.13	341.44	2.16	-108.97
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132116	1	37	-2.0	-111.07	341.47	2.18	-108.89
CC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132116	1	38	-1.0	-46.54	340.29	2.25	-44.29
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020132117	0	38	-2.0	-108.55	352.36	2.91	-105.64
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020132117	1	38	-2.0	-108.52	352.40	2.91	-105.61
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)F)C(F)=C1	REAL300020132118	0	34	-2.0	-107.55	326.01	2.79	-104.76
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)F)C(F)=C1	REAL300020132118	1	35	-1.0	-43.54	324.15	2.89	-40.65
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)F)C(F)=C1	REAL300020132118	1	34	-2.0	-107.55	326.05	2.80	-104.75
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300020132119	0	33	-2.0	-100.39	324.87	4.21	-96.18
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300020132119	1	33	-2.0	-100.31	324.90	4.22	-96.09
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300020132119	1	34	-1.0	-43.27	322.94	4.30	-38.97
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132120	0	35	-2.0	-116.22	337.34	-1.25	-117.47
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132120	1	35	-2.0	-116.19	337.37	-1.24	-117.43
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132121	0	34	-2.0	-115.88	303.80	5.00	-110.88
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132121	1	34	-2.0	-115.82	303.82	5.01	-110.81
N#CCC1=CC=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132121	1	35	-1.0	-43.07	310.06	4.61	-38.46
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132122	0	34	-2.0	-114.07	322.79	4.31	-109.76
N#CCC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132122	1	35	-1.0	-47.42	320.95	4.41	-43.01
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132122	1	34	-2.0	-114.04	322.83	4.32	-109.72
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1Cl	REAL300020132123	0	30	-2.0	-104.31	310.41	4.22	-100.09
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1Cl	REAL300020132123	1	30	-2.0	-104.24	310.44	4.23	-100.01
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132124	0	37	-1.0	-44.24	313.72	4.64	-39.60
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132124	1	36	-2.0	-103.64	317.07	4.90	-98.74
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132124	1	37	-1.0	-44.25	313.68	4.64	-39.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(N)=NO1	REAL300020132125	0	31	-2.0	-102.28	288.08	0.51	-101.77
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(N)=NO1	REAL300020132125	1	31	-2.0	-102.22	288.12	0.52	-101.70
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132126	0	34	-2.0	-112.72	325.54	3.46	-109.26
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132126	1	34	-2.0	-112.72	325.57	3.46	-109.26
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNC(C(F)(F)F)=C1	REAL300020132127	0	31	-2.0	-105.90	308.05	1.91	-103.99
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNC(C(F)(F)F)=C1	REAL300020132127	1	31	-2.0	-105.81	308.08	1.93	-103.88
O=S(=O)(CCC1CC2=CC=CC=C2C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132128	0	44	-1.0	-44.43	369.14	6.57	-37.86
O=S(=O)(CCC1CC2=CC=CC=C2C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132128	1	44	-1.0	-44.42	369.10	6.57	-37.85
O=S(=O)(CCC1CC2=CC=CC=C2C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132128	1	43	-2.0	-107.63	368.66	6.49	-101.14
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020132129	0	41	-2.0	-111.22	361.79	3.92	-107.30
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132130	0	37	-2.0	-112.33	325.52	3.21	-109.12
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132130	1	37	-2.0	-112.32	325.55	3.22	-109.10
COC1=CC=C(C)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132130	1	38	-1.0	-41.69	321.33	3.49	-38.20
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020132131	0	37	-2.0	-105.86	341.11	3.77	-102.09
COC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020132131	1	38	-1.0	-46.49	337.62	3.49	-43.00
COC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020132131	1	38	-1.0	-46.47	337.65	3.49	-42.98
O=[N+]([O-])C1=CC(Cl)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132132	0	32	-2.0	-101.88	330.42	4.37	-97.51
O=[N+]([O-])C1=CC(Cl)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132132	1	32	-2.0	-101.88	330.45	4.38	-97.50
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CCCCC1	REAL300020132133	0	35	-1.0	-44.69	295.70	3.58	-41.11
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CCCCC1	REAL300020132133	1	35	-1.0	-44.68	295.66	3.58	-41.10
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CCCCC1	REAL300020132133	1	34	-2.0	-110.27	295.90	3.43	-106.84
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132134	0	28	-2.0	-101.00	293.05	2.70	-98.30
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132134	1	28	-2.0	-100.99	293.09	2.71	-98.28
O=[N+]([O-])C1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020132135	0	32	-2.0	-98.50	326.68	4.25	-94.25
O=[N+]([O-])C1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020132135	1	32	-2.0	-98.47	326.72	4.26	-94.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132136	0	32	-2.0	-109.13	297.15	1.97	-107.16
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132136	1	32	-2.0	-109.17	297.19	1.98	-107.19
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2N=C1	REAL300020132137	0	35	-2.0	-113.08	321.74	3.50	-109.58
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2N=C1	REAL300020132137	1	35	-2.0	-113.01	321.78	3.52	-109.49
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020132138	0	36	-2.0	-111.30	340.80	3.87	-107.43
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020132138	1	36	-2.0	-111.26	340.83	3.88	-107.38
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132139	0	36	-2.0	-105.39	339.85	3.83	-101.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132139	1	36	-2.0	-105.35	339.89	3.84	-101.51
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132140	0	38	-2.0	-118.46	356.69	5.00	-113.46
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132140	1	38	-2.0	-118.34	356.73	5.00	-113.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C#N	REAL300020132141	0	34	-2.0	-103.12	320.51	4.04	-99.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C#N	REAL300020132141	1	34	-2.0	-103.08	320.55	4.05	-99.03
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C#N	REAL300020132141	1	35	-1.0	-42.19	318.54	4.13	-38.06
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(Cl)C(F)=C1	REAL300020132142	0	29	-2.0	-97.07	298.28	1.82	-95.25
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(Cl)C(F)=C1	REAL300020132142	1	29	-2.0	-97.08	298.32	1.83	-95.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020132143	0	34	-2.0	-114.33	315.53	2.51	-111.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020132143	1	34	-2.0	-114.33	315.56	2.52	-111.81
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CC(F)(F)F)C=C1	REAL300020132144	0	36	-2.0	-110.56	341.57	4.93	-105.63
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CC(F)(F)F)C=C1	REAL300020132144	1	37	-1.0	-44.76	339.62	5.03	-39.73
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CC(F)(F)F)C=C1	REAL300020132144	1	36	-2.0	-110.45	341.60	4.94	-105.51
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2OC1	REAL300020132145	0	36	-2.0	-111.53	326.25	3.66	-107.87
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)C=C1	REAL300020132146	0	33	-2.0	-109.66	314.72	4.07	-105.59
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)C=C1	REAL300020132146	1	34	-1.0	-44.89	310.81	4.11	-40.78
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)C=C1	REAL300020132146	1	33	-2.0	-109.59	314.76	4.08	-105.51
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300020132147	0	40	-2.0	-117.70	354.74	6.56	-111.14
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300020132147	1	41	-1.0	-48.71	352.95	6.65	-42.06
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300020132147	1	40	-2.0	-117.65	354.78	6.57	-111.08
COC1CN(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020132148	0	34	-1.0	-44.58	301.47	-0.22	-44.80
COC1CN(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020132148	1	34	-1.0	-44.58	301.43	-0.23	-44.81
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)N(C)N=C1	REAL300020132149	0	33	-2.0	-105.28	297.43	1.62	-103.66
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)N(C)N=C1	REAL300020132149	1	33	-2.0	-105.23	297.47	1.63	-103.60
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132150	0	39	-2.0	-115.25	362.66	4.77	-110.48
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132150	1	39	-2.0	-115.22	362.70	4.79	-110.43
O=S(=O)(CCC1=CC=CC(Cl)=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132151	0	36	-2.0	-105.97	341.90	5.20	-100.77
O=S(=O)(CCC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132151	1	37	-1.0	-44.53	342.38	5.28	-39.25
O=S(=O)(CCC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132151	1	37	-1.0	-44.53	342.34	5.28	-39.25
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020132152	0	28	-2.0	-102.83	284.47	1.68	-101.15
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020132152	1	28	-2.0	-102.85	284.51	1.69	-101.16
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC=C1	REAL300020132153	0	27	-2.0	-107.41	271.65	2.05	-105.36
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC=C1	REAL300020132153	1	27	-2.0	-107.38	271.68	2.06	-105.32
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132154	0	41	-2.0	-120.64	363.88	2.66	-117.98
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132154	1	41	-2.0	-120.63	363.91	2.67	-117.96
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300020132155	0	35	-3.0	-175.35	325.02	4.25	-171.10
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300020132155	1	36	-2.0	-98.46	326.19	4.40	-94.06
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300020132155	1	36	-2.0	-98.41	326.21	4.40	-94.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300020132155	1	35	-3.0	-175.23	325.05	4.26	-170.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132156	0	33	-2.0	-105.06	307.74	-0.17	-105.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132156	1	33	-2.0	-104.99	307.78	-0.16	-105.15
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1F	REAL300020132157	0	30	-2.0	-110.43	302.77	3.72	-106.71
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1F	REAL300020132157	1	30	-2.0	-110.45	302.80	3.73	-106.72
O=S(=O)(CCCOCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132158	0	44	-1.0	-44.32	381.16	4.83	-39.49
O=S(=O)(CCCOCC1=CC=CC=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132158	1	43	-2.0	-106.90	380.70	4.75	-102.15
O=S(=O)(CCCOCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132158	1	44	-1.0	-44.35	381.12	4.82	-39.53
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132159	0	41	-2.0	-107.91	358.67	4.27	-103.64
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132160	0	39	-2.0	-112.24	358.08	5.91	-106.33
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132160	1	39	-2.0	-112.22	358.11	5.92	-106.30
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132161	0	39	-2.0	-112.26	353.91	5.62	-106.64
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132161	1	39	-2.0	-112.21	353.94	5.63	-106.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC2=CC=CC=C12	REAL300020132162	0	33	-2.0	-113.34	317.10	4.50	-108.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC2=CC=CC=C12	REAL300020132162	1	33	-2.0	-113.30	317.14	4.51	-108.79
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132163	0	42	-2.0	-116.83	379.36	5.50	-111.33
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132163	1	43	-1.0	-48.26	377.52	5.60	-42.66
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132163	1	42	-2.0	-116.80	379.39	5.51	-111.29
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020132164	0	42	-2.0	-109.83	373.25	5.26	-104.57
CCOC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020132164	1	43	-1.0	-46.88	371.29	5.35	-41.53
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C	REAL300020132164	1	42	-2.0	-109.79	373.29	5.27	-104.52
CCOC(=O)C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C	REAL300020132164	1	43	-1.0	-46.82	371.31	5.35	-41.47
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C2O1	REAL300020132165	0	41	-2.0	-123.94	358.26	4.36	-119.58
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C2O1	REAL300020132165	1	41	-2.0	-123.94	358.30	4.37	-119.57
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020132166	0	34	-2.0	-98.86	337.21	4.33	-94.53
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020132166	1	34	-2.0	-98.81	337.24	4.34	-94.47
N#CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020132166	1	35	-1.0	-45.13	335.24	4.42	-40.71
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCO2	REAL300020132167	0	33	-2.0	-115.49	307.15	1.77	-113.72
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCO2	REAL300020132167	1	33	-2.0	-115.44	307.18	1.78	-113.66
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132168	0	36	-2.0	-102.38	334.77	4.90	-97.48
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132168	1	37	-1.0	-39.39	330.91	5.21	-34.18
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132168	1	37	-1.0	-39.32	330.94	5.22	-34.10
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132169	0	37	-2.0	-114.63	331.90	3.37	-111.26
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132169	1	37	-2.0	-114.57	331.93	3.38	-111.19
CCOC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132169	1	38	-1.0	-48.47	330.13	3.46	-45.01
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C=CC(F)=C1F	REAL300020132170	0	30	-2.0	-111.36	302.88	3.99	-107.37
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=CC(F)=C1F	REAL300020132170	1	30	-2.0	-111.30	302.92	4.01	-107.29
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132171	0	36	-2.0	-137.83	324.95	0.73	-137.10
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132171	1	36	-2.0	-137.85	324.98	0.74	-137.11
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020132172	0	39	-2.0	-115.83	347.85	6.08	-109.75
CC1=CC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020132172	1	40	-1.0	-46.78	345.80	6.16	-40.62
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020132172	1	39	-2.0	-115.78	347.88	6.09	-109.69
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C=CS1	REAL300020132173	0	27	-2.0	-107.46	288.53	2.60	-104.86
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=CS1	REAL300020132173	1	27	-2.0	-107.43	288.56	2.60	-104.83
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132174	0	30	-2.0	-110.14	294.11	2.81	-107.33
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132174	1	30	-2.0	-110.15	294.15	2.82	-107.33
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132175	0	43	-2.0	-115.87	376.53	3.50	-112.37
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132175	1	44	-1.0	-52.00	374.80	3.61	-48.39
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132175	1	44	-1.0	-51.98	374.81	3.61	-48.37
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132175	1	43	-2.0	-115.82	376.57	3.51	-112.31
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNN=C1Cl	REAL300020132176	0	27	-2.0	-106.52	278.83	-0.05	-106.57
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNN=C1Cl	REAL300020132176	1	27	-2.0	-106.45	278.86	-0.03	-106.48
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C(Cl)C=CN=C12	REAL300020132177	0	35	-2.0	-118.31	335.06	4.20	-114.11
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C(Cl)C=CN=C12	REAL300020132177	1	35	-2.0	-118.27	335.10	4.22	-114.05
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)N=C1F	REAL300020132178	0	29	-2.0	-107.30	287.47	1.25	-106.05
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)N=C1F	REAL300020132178	1	29	-2.0	-107.23	287.50	1.26	-105.97
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132179	0	37	-2.0	-107.81	348.78	3.45	-104.36
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132179	1	37	-2.0	-107.74	348.82	3.46	-104.28
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132179	1	38	-1.0	-42.26	347.17	3.55	-38.71
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132180	0	39	-2.0	-107.02	345.08	2.21	-104.81
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132180	1	39	-2.0	-106.94	345.11	2.21	-104.73
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132181	0	39	-2.0	-106.14	349.73	1.69	-104.45
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132181	1	39	-2.0	-106.08	349.76	1.70	-104.38
COC1=CC=C2C=C(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CCC2=C1	REAL300020132182	0	43	-1.0	-46.52	364.27	5.00	-41.52
COC1=CC=C2C=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC2=C1	REAL300020132182	1	43	-1.0	-46.56	364.24	5.00	-41.56
COC1=CC=C2C=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)CCC2=C1	REAL300020132182	1	42	-2.0	-112.49	364.48	4.84	-107.65
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2CC2)C=C1	REAL300020132183	0	38	-2.0	-110.03	341.08	4.10	-105.93
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2CC2)C=C1	REAL300020132183	1	39	-1.0	-43.88	339.19	4.21	-39.67
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2CC2)C=C1	REAL300020132183	1	39	-1.0	-43.85	339.17	4.20	-39.65
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2O1	REAL300020132184	0	33	-2.0	-109.45	316.73	3.61	-105.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2O1	REAL300020132184	1	33	-2.0	-109.41	316.76	3.62	-105.79
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C2=CC=CC=C2S1	REAL300020132185	0	33	-2.0	-114.68	331.85	5.20	-109.48
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C2=CC=CC=C2S1	REAL300020132185	1	33	-2.0	-114.70	331.88	5.22	-109.48
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132186	0	29	-2.0	-104.56	289.04	1.44	-103.12
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132186	1	29	-2.0	-104.53	289.08	1.45	-103.08
O=[N+]([O-])C1=CC(F)=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132187	0	32	-2.0	-105.82	324.19	5.14	-100.68
O=[N+]([O-])C1=CC(F)=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132187	1	32	-2.0	-105.81	324.23	5.14	-100.67
O=C1NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132188	0	27	-2.0	-103.95	277.38	-0.97	-104.92
O=C1NC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132188	1	28	-1.0	-42.10	275.73	-0.89	-42.99
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1O	REAL300020132189	0	34	-2.0	-109.05	328.97	1.85	-107.20
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSN=C1C1=CC=CC=C1	REAL300020132190	0	36	-2.0	-106.04	333.98	4.61	-101.43
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSN=C1C1=CC=CC=C1	REAL300020132190	1	36	-2.0	-106.02	334.01	4.62	-101.40
O=S(=O)(N=S1(=O)CCCC1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132191	0	34	-2.0	-139.18	311.70	0.42	-138.76
O=S(=O)(N=S1(=O)CCCC1)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132191	1	34	-2.0	-139.10	311.73	0.42	-138.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)C=C1	REAL300020132192	0	37	-2.0	-112.20	329.77	5.24	-106.96
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)C=C1	REAL300020132192	1	38	-1.0	-44.42	327.85	5.35	-39.07
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)C=C1	REAL300020132192	1	38	-1.0	-44.39	327.88	5.35	-39.04
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)C=C1	REAL300020132192	1	37	-2.0	-112.18	329.80	5.25	-106.93
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=CS1	REAL300020132193	0	27	-2.0	-109.36	278.83	2.19	-107.17
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=CS1	REAL300020132193	1	27	-2.0	-109.33	278.86	2.19	-107.14
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2NC1=O	REAL300020132194	0	39	-2.0	-106.78	351.61	2.88	-103.90
CC1=CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2NC1=O	REAL300020132194	1	40	-1.0	-46.65	350.02	2.97	-43.68
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300020132194	1	39	-2.0	-106.78	351.64	2.89	-103.89
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN=C1OCC(F)F	REAL300020132195	0	36	-2.0	-123.40	341.37	1.56	-121.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN=C1OCC(F)F	REAL300020132195	1	36	-2.0	-123.34	341.41	1.57	-121.77
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL300020132196	0	33	-2.0	-111.24	319.19	1.99	-109.25
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL300020132196	1	33	-2.0	-111.25	319.22	2.01	-109.24
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C12	REAL300020132197	0	39	-2.0	-112.59	345.38	4.74	-107.85
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C12	REAL300020132197	1	39	-2.0	-112.50	345.42	4.75	-107.75
O=C1CCCC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C12	REAL300020132197	1	40	-1.0	-49.98	343.48	4.84	-45.14
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132198	0	31	-2.0	-99.82	307.25	3.58	-96.24
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132198	1	31	-2.0	-99.82	307.29	3.59	-96.23
N#CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132198	1	32	-1.0	-44.31	305.32	3.67	-40.64
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020132199	0	40	-2.0	-108.54	351.16	3.70	-104.84
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)CCCCC1	REAL300020132200	0	45	-2.0	-112.43	366.11	4.69	-107.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(F)C=C1[N+](=O)[O-]	REAL300020132201	0	35	-2.0	-103.90	330.25	4.38	-99.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(F)C=C1[N+](=O)[O-]	REAL300020132201	1	35	-2.0	-103.86	330.28	4.39	-99.47
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132202	0	35	-3.0	-181.04	328.54	4.54	-176.50
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132202	1	36	-2.0	-89.77	324.86	4.77	-85.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132202	1	36	-2.0	-89.78	324.84	4.77	-85.01
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C2=NON=C21	REAL300020132203	0	31	-2.0	-110.13	313.43	2.42	-107.71
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C2=NON=C21	REAL300020132203	1	31	-2.0	-110.10	313.47	2.45	-107.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020132204	0	34	-3.0	-203.28	332.73	5.56	-197.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020132204	1	34	-3.0	-203.17	332.77	5.56	-197.61
COCC1(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020132205	0	34	-2.0	-109.47	293.71	1.73	-107.74
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132206	0	30	-2.0	-136.23	285.90	-0.91	-137.14
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132206	1	30	-2.0	-136.19	285.94	-0.91	-137.10
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(F)C=C1C	REAL300020132207	0	39	-2.0	-111.10	356.83	4.40	-106.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(F)C=C1C	REAL300020132207	1	39	-2.0	-110.97	356.87	4.41	-106.56
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)S1	REAL300020132208	0	30	-2.0	-102.13	313.13	3.34	-98.79
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)S1	REAL300020132208	1	30	-2.0	-102.13	313.16	3.35	-98.78
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C2OCCCN2N=C1	REAL300020132209	0	35	-2.0	-116.10	317.54	0.05	-116.05
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C2OCCCN2N=C1	REAL300020132209	1	35	-2.0	-116.04	317.57	0.06	-115.98
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132210	0	33	-2.0	-112.24	310.66	3.77	-108.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132210	1	33	-2.0	-112.22	310.70	3.78	-108.44
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN=C1C	REAL300020132211	0	38	-2.0	-104.15	346.78	2.48	-101.67
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN=C1C	REAL300020132211	1	38	-2.0	-104.15	346.82	2.49	-101.66
O=[N+]([O-])C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132212	0	31	-2.0	-100.04	303.92	2.01	-98.03
O=[N+]([O-])C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132212	1	31	-2.0	-100.01	303.96	2.02	-97.99
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132213	0	32	-2.0	-101.94	308.10	2.52	-99.42
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132213	1	32	-2.0	-101.91	308.14	2.52	-99.39
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(Br)N1C	REAL300020132214	0	33	-2.0	-119.67	321.16	2.58	-117.09
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(Br)N1C	REAL300020132214	1	33	-2.0	-119.59	321.20	2.59	-117.00
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020132215	0	36	-2.0	-104.29	334.97	4.66	-99.63
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020132215	1	37	-1.0	-41.60	333.11	4.76	-36.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020132215	1	36	-2.0	-104.22	335.01	4.67	-99.55
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132216	0	39	-2.0	-117.05	357.50	4.58	-112.47
COC(=O)CC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132216	1	40	-1.0	-48.35	355.75	4.67	-43.68
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132216	1	39	-2.0	-116.99	357.53	4.59	-112.40
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2ON=C(Cl)C2=C1	REAL300020132217	0	32	-2.0	-100.86	320.29	3.01	-97.85
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2ON=C(Cl)C2=C1	REAL300020132217	1	32	-2.0	-100.82	320.33	3.02	-97.80
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2ON=C(Cl)C2=C1	REAL300020132217	1	33	-1.0	-40.29	318.37	3.11	-37.18
COCCN(C)S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132218	0	36	-1.0	-42.74	300.20	0.19	-42.55
COCCN(C)S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132218	1	36	-1.0	-42.71	300.17	0.19	-42.52
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)N1CC2CCC1C2	REAL300020132219	0	37	-1.0	-44.65	305.85	2.78	-41.87
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)N1CC2CCC1C2	REAL300020132219	1	37	-1.0	-44.69	305.82	2.78	-41.91
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020132220	0	39	-2.0	-112.23	346.84	4.62	-107.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=NN1C	REAL300020132221	0	33	-2.0	-107.47	301.21	1.37	-106.10
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=NN1C	REAL300020132221	1	33	-2.0	-107.42	301.25	1.38	-106.04
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132222	0	34	-2.0	-112.54	311.64	4.23	-108.31
C=CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132222	1	35	-1.0	-45.07	309.64	4.33	-40.74
C=CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132222	1	35	-1.0	-45.06	309.67	4.33	-40.73
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132223	0	43	-2.0	-124.85	374.50	4.01	-120.84
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132223	1	43	-2.0	-124.77	374.54	4.02	-120.75
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132223	1	44	-1.0	-60.36	372.32	4.09	-56.27
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132224	0	33	-2.0	-109.67	303.93	1.50	-108.17
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132224	1	33	-2.0	-109.60	303.96	1.52	-108.08
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132225	0	37	-2.0	-111.10	352.36	3.38	-107.72
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132225	1	37	-2.0	-111.07	352.40	3.39	-107.68
COCC1=CC(Cl)=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132225	1	38	-1.0	-45.02	350.51	3.48	-41.54
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132226	0	30	-2.0	-100.74	296.41	1.74	-99.00
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132226	1	30	-2.0	-100.75	296.44	1.75	-99.00
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132227	0	38	-2.0	-109.06	328.83	3.11	-105.95
O=C1C=NC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020132228	0	35	-2.0	-108.38	326.97	0.33	-108.05
O=C1C=NC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020132228	1	35	-2.0	-108.33	327.00	0.35	-107.98
O=C1C=NC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020132228	1	36	-1.0	-43.26	324.93	0.44	-42.82
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNN=C1C(F)(F)F	REAL300020132229	0	30	-2.0	-107.67	296.22	0.66	-107.01
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNN=C1C(F)(F)F	REAL300020132229	1	30	-2.0	-107.67	296.26	0.68	-106.99
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=NN1C1=CC=CC=C1	REAL300020132230	0	36	-2.0	-108.14	326.87	3.08	-105.06
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=NN1C1=CC=CC=C1	REAL300020132230	1	36	-2.0	-108.07	326.90	3.08	-104.99
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=CC=C12	REAL300020132231	0	44	-2.0	-116.54	375.01	5.32	-111.22
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=CC=C12	REAL300020132231	1	44	-2.0	-116.51	375.05	5.32	-111.19
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)CCCC1	REAL300020132232	0	42	-2.0	-111.56	353.87	4.26	-107.30
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SC(Cl)=NC2=C1	REAL300020132233	0	32	-2.0	-108.87	328.73	3.06	-105.81
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2SC(Cl)=NC2=C1	REAL300020132233	1	32	-2.0	-108.81	328.77	3.07	-105.74
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SC(Cl)=NC2=C1	REAL300020132233	1	33	-1.0	-40.68	326.64	3.14	-37.54
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020132234	0	38	-2.0	-112.45	354.32	2.78	-109.67
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020132234	1	38	-2.0	-112.46	354.36	2.79	-109.67
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300020132235	0	38	-2.0	-102.49	351.69	1.71	-100.78
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300020132235	1	38	-2.0	-102.55	351.73	1.72	-100.83
O=C1CCOC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020132236	0	37	-2.0	-117.93	336.54	2.90	-115.03
O=C1CCOC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020132236	1	38	-1.0	-53.31	334.62	3.00	-50.31
O=C1CCOC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020132236	1	38	-1.0	-53.26	334.64	3.00	-50.26
O=C1CCOC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020132236	1	37	-2.0	-117.89	336.58	2.91	-114.98
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020132237	0	34	-2.0	-105.25	326.07	3.00	-102.25
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020132237	1	34	-2.0	-105.21	326.10	3.01	-102.20
COC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020132237	1	35	-1.0	-42.60	324.13	3.10	-39.50
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132238	0	34	-2.0	-119.30	332.13	-0.22	-119.52
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132238	1	34	-2.0	-119.22	332.17	-0.21	-119.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020132239	0	32	-3.0	-200.32	312.65	3.73	-196.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020132239	1	32	-3.0	-200.32	312.68	3.74	-196.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)NC=N1	REAL300020132240	0	27	-2.0	-114.49	279.90	1.14	-113.35
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)NC=N1	REAL300020132240	1	27	-2.0	-114.44	279.94	1.15	-113.29
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=CSC2=CC=C1	REAL300020132241	0	32	-2.0	-121.55	311.74	2.56	-118.99
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=CSC2=CC=C1	REAL300020132241	1	32	-2.0	-121.50	311.78	2.57	-118.93
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCOC2=C1	REAL300020132242	0	35	-2.0	-115.53	316.35	2.98	-112.55
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCOC2=C1	REAL300020132242	1	36	-1.0	-49.31	314.38	3.08	-46.23
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCOC2=C1	REAL300020132242	1	35	-2.0	-115.46	316.39	2.99	-112.47
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020132243	0	37	-2.0	-110.20	330.60	5.30	-104.90
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020132243	1	38	-1.0	-45.59	331.06	5.39	-40.20
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020132243	1	38	-1.0	-45.62	331.02	5.38	-40.24
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020132244	0	36	-2.0	-121.98	331.06	5.45	-116.53
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020132244	1	36	-2.0	-121.95	331.10	5.46	-116.49
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OC(F)(F)O2	REAL300020132245	0	33	-2.0	-115.98	320.69	2.21	-113.77
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OC(F)(F)O2	REAL300020132245	1	33	-2.0	-115.98	320.73	2.22	-113.76
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132246	0	33	-2.0	-111.36	307.67	4.64	-106.72
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132246	1	33	-2.0	-111.32	307.71	4.66	-106.66
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1OC(F)F	REAL300020132247	0	34	-2.0	-107.62	324.96	3.27	-104.35
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1OC(F)F	REAL300020132247	1	34	-2.0	-107.63	325.00	3.28	-104.35
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCC2	REAL300020132248	0	35	-2.0	-121.13	316.80	2.97	-118.16
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCC2	REAL300020132248	1	35	-2.0	-121.08	316.84	2.98	-118.10
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132249	0	39	-2.0	-112.94	362.96	4.63	-108.31
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132249	1	39	-2.0	-112.93	363.00	4.65	-108.28
COC(=O)CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132249	1	40	-1.0	-50.31	361.10	4.73	-45.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC(C)=C2S1	REAL300020132250	0	39	-2.0	-114.21	350.45	6.16	-108.05
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC(C)=C2S1	REAL300020132250	1	39	-2.0	-114.17	350.49	6.17	-108.00
CCC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)OC	REAL300020132251	0	36	-2.0	-108.48	312.88	1.79	-106.69
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132252	0	43	-2.0	-110.20	369.23	4.58	-105.62
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132253	0	42	-2.0	-110.09	352.04	3.03	-107.06
O=S(=O)(CCOCC1CC1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132254	0	37	-2.0	-105.42	330.96	2.50	-102.92
O=S(=O)(CCC1=CC=C(Cl)C=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132255	0	36	-2.0	-104.34	341.90	5.21	-99.13
O=S(=O)(CCC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132255	1	37	-1.0	-43.00	342.38	5.29	-37.71
O=S(=O)(CCC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132255	1	37	-1.0	-43.01	342.34	5.29	-37.72
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020132256	0	33	-2.0	-118.45	310.46	4.09	-114.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020132256	1	33	-2.0	-118.39	310.49	4.11	-114.28
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CN=C1Cl	REAL300020132257	0	29	-2.0	-103.08	305.59	2.34	-100.74
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CN=C1Cl	REAL300020132257	1	29	-2.0	-103.09	305.62	2.34	-100.75
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Br	REAL300020132258	0	30	-2.0	-103.76	304.14	1.29	-102.47
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Br	REAL300020132258	1	30	-2.0	-103.74	304.17	1.30	-102.44
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132259	0	35	-2.0	-110.81	324.40	1.59	-109.22
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020132259	1	35	-2.0	-110.75	324.43	1.60	-109.15
CN1N=NC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132259	1	36	-1.0	-43.49	322.26	1.68	-41.81
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020132260	0	37	-2.0	-136.08	342.73	1.86	-134.22
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020132260	1	37	-2.0	-136.06	342.77	1.86	-134.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020132261	0	35	-3.0	-182.56	333.97	4.38	-178.18
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020132261	1	36	-2.0	-103.54	327.81	4.34	-99.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020132261	1	35	-3.0	-182.51	334.00	4.39	-178.12
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CC1	REAL300020132262	0	37	-2.0	-108.61	325.45	2.46	-106.15
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132263	0	34	-2.0	-112.79	315.21	3.00	-109.79
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132263	1	34	-2.0	-112.74	315.25	3.01	-109.73
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OC(F)(F)OC2=C1	REAL300020132264	0	33	-2.0	-100.90	320.17	2.25	-98.65
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OC(F)(F)OC2=C1	REAL300020132264	1	34	-1.0	-38.71	318.25	2.34	-36.37
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OC(F)(F)OC2=C1	REAL300020132264	1	33	-2.0	-100.88	320.20	2.26	-98.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020132265	0	38	-2.0	-109.71	343.10	4.98	-104.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020132265	1	38	-2.0	-109.68	343.14	4.99	-104.69
CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020132265	1	39	-1.0	-40.28	341.15	5.08	-35.20
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132266	0	46	-2.0	-119.73	384.98	5.26	-114.47
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132266	1	46	-2.0	-119.68	385.01	5.27	-114.41
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CCOCC1	REAL300020132267	0	44	-2.0	-109.10	363.28	1.58	-107.52
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020132268	0	33	-2.0	-101.86	323.80	0.37	-101.49
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020132268	1	33	-2.0	-101.88	323.84	0.38	-101.50
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132269	0	29	-2.0	-101.70	277.48	1.09	-100.61
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132269	1	29	-2.0	-101.68	277.52	1.10	-100.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300020132270	0	34	-2.0	-107.10	330.62	1.30	-105.80
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300020132270	1	34	-2.0	-107.10	330.66	1.31	-105.79
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020132271	0	33	-2.0	-106.25	316.01	4.24	-102.01
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020132271	1	34	-1.0	-42.19	314.15	4.35	-37.84
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020132271	1	33	-2.0	-106.24	316.04	4.25	-101.99
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020132271	1	34	-1.0	-42.15	314.18	4.35	-37.80
O=C1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020132272	0	36	-2.0	-121.10	328.67	4.13	-116.97
O=C1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020132272	1	36	-2.0	-121.05	328.70	4.14	-116.91
O=C1CCC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020132272	1	37	-1.0	-46.10	326.81	4.22	-41.88
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2)=N1	REAL300020132273	0	39	-2.0	-110.98	366.79	4.62	-106.36
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2)=N1	REAL300020132273	1	39	-2.0	-110.92	366.82	4.63	-106.29
CC1=CSC(C2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=N1	REAL300020132273	1	40	-1.0	-44.22	364.80	4.71	-39.51
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132274	0	39	-2.0	-117.11	361.11	4.48	-112.63
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132274	1	39	-2.0	-117.02	361.14	4.50	-112.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C([N+](=O)[O-])S1	REAL300020132275	0	32	-2.0	-117.23	315.12	4.34	-112.89
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C([N+](=O)[O-])S1	REAL300020132275	1	32	-2.0	-117.25	315.15	4.34	-112.91
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132276	0	35	-2.0	-128.11	322.12	-0.82	-128.93
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132276	1	35	-2.0	-128.01	322.15	-0.82	-128.83
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2S1	REAL300020132277	0	33	-2.0	-104.82	322.57	1.33	-103.49
O=C1NC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2S1	REAL300020132277	1	34	-1.0	-46.54	320.71	1.43	-45.11
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2S1	REAL300020132277	1	33	-2.0	-104.79	322.60	1.34	-103.45
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN=C1F	REAL300020132278	0	29	-2.0	-115.16	281.05	1.32	-113.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN=C1F	REAL300020132278	1	29	-2.0	-115.11	281.09	1.33	-113.78
O=S(=O)(CCC1CCCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132279	0	43	-1.0	-42.15	346.41	4.94	-37.21
O=S(=O)(CCC1CCCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132279	1	43	-1.0	-42.18	346.38	4.94	-37.24
O=S(=O)(CCC1CCCCC1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132279	1	42	-2.0	-106.65	345.95	4.87	-101.78
O=S(=O)(CCC1CCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132280	0	40	-1.0	-42.03	329.93	4.36	-37.67
O=S(=O)(CCC1CCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132280	1	40	-1.0	-42.12	329.89	4.35	-37.77
O=S(=O)(CCC1CCCC1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132280	1	39	-2.0	-106.44	329.46	4.28	-102.16
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)N=C1	REAL300020132281	0	29	-2.0	-101.07	281.96	1.29	-99.78
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)N=C1	REAL300020132281	1	29	-2.0	-101.02	282.00	1.30	-99.72
O=S(=O)(CCOCC1CCC1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132282	0	40	-2.0	-105.47	347.53	3.04	-102.43
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NC(Cl)=CC=C2S1	REAL300020132283	0	32	-2.0	-110.49	331.14	3.12	-107.37
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NC(Cl)=CC=C2S1	REAL300020132283	1	32	-2.0	-110.41	331.17	3.13	-107.28
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=CS1	REAL300020132284	0	28	-2.0	-113.84	290.95	2.54	-111.30
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=CS1	REAL300020132284	1	28	-2.0	-113.78	290.99	2.56	-111.22
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)N1CCCOCC1	REAL300020132285	0	37	-1.0	-46.17	297.37	0.53	-45.64
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)N1CCCOCC1	REAL300020132285	1	37	-1.0	-46.24	297.36	0.53	-45.71
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C(C)C	REAL300020132286	0	39	-2.0	-108.78	330.04	2.21	-106.57
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300020132287	0	30	-2.0	-102.00	303.13	3.71	-98.29
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300020132287	1	30	-2.0	-101.97	303.17	3.72	-98.25
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300020132287	1	31	-1.0	-38.94	301.20	3.81	-35.13
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCCCO2	REAL300020132288	0	39	-2.0	-120.63	342.23	3.49	-117.14
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCCCO2	REAL300020132288	1	39	-2.0	-120.61	342.27	3.50	-117.11
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300020132289	0	37	-2.0	-115.19	345.66	1.00	-114.19
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300020132289	1	38	-1.0	-51.03	343.84	1.10	-49.93
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300020132289	1	37	-2.0	-115.16	345.70	1.02	-114.14
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCCC2	REAL300020132290	0	38	-2.0	-120.64	332.73	4.34	-116.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCCC2	REAL300020132290	1	38	-2.0	-120.52	332.77	4.35	-116.17
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132291	0	40	-2.0	-112.47	353.68	2.12	-110.35
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132291	1	40	-2.0	-112.46	353.71	2.14	-110.32
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020132292	0	39	-2.0	-110.83	362.66	4.80	-106.03
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020132292	1	39	-2.0	-110.82	362.70	4.81	-106.01
COC1CCN(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020132293	0	40	-1.0	-46.29	327.99	1.40	-44.89
COC1CCN(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020132293	1	40	-1.0	-46.32	327.96	1.40	-44.92
O=S(=O)(CCC1=CC=C(F)C=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132294	0	36	-2.0	-104.39	331.58	4.76	-99.63
O=S(=O)(CCC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132294	1	37	-1.0	-43.46	332.06	4.84	-38.62
O=S(=O)(CCC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132294	1	37	-1.0	-43.50	332.02	4.83	-38.67
O=S(=O)(CCC1=CC=CC=C1F)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132295	0	36	-2.0	-111.10	330.74	4.73	-106.37
O=S(=O)(CCC1=CC=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132295	1	37	-1.0	-43.36	331.21	4.80	-38.56
O=S(=O)(CCC1=CC=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132295	1	37	-1.0	-43.41	331.18	4.80	-38.61
O=S(=O)(CCC1=CC=CC=C1Cl)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132296	0	36	-2.0	-109.77	337.84	5.07	-104.70
O=S(=O)(CCC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132296	1	37	-1.0	-42.66	338.33	5.14	-37.52
O=S(=O)(CCC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132296	1	37	-1.0	-42.69	338.30	5.14	-37.55
CCC1CCN(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020132297	0	42	-1.0	-43.67	334.61	3.64	-40.03
CCC1CCN(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020132297	1	42	-1.0	-43.68	334.57	3.64	-40.04
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132298	0	37	-2.0	-122.41	336.48	0.58	-121.83
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132298	1	37	-2.0	-122.42	336.52	0.59	-121.83
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132298	1	38	-1.0	-56.89	334.50	0.68	-56.21
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(=O)NC1=O	REAL300020132299	0	33	-2.0	-115.47	308.95	-0.16	-115.63
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)CCOC1	REAL300020132300	0	44	-2.0	-109.39	356.82	2.05	-107.34
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC3=C2N1CC3	REAL300020132301	0	42	-2.0	-111.05	364.79	4.57	-106.48
O=C1CCC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC3=C2N1CC3	REAL300020132301	1	43	-1.0	-47.31	362.76	4.65	-42.66
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC3=C2N1CC3	REAL300020132301	1	42	-2.0	-111.03	364.82	4.58	-106.45
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C2)=N1	REAL300020132302	0	42	-2.0	-112.26	373.61	3.04	-109.22
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=N1	REAL300020132302	1	43	-1.0	-49.43	370.10	2.73	-46.70
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C2)=N1	REAL300020132302	1	42	-2.0	-112.26	373.65	3.05	-109.21
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=N1	REAL300020132302	1	43	-1.0	-49.44	370.13	2.74	-46.70
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020132303	0	41	-2.0	-115.74	366.25	2.33	-113.41
COC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020132303	1	42	-1.0	-51.61	362.97	2.32	-49.29
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132304	0	35	-2.0	-95.59	336.29	4.97	-90.62
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132304	1	35	-2.0	-95.57	336.32	4.98	-90.59
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020132305	0	40	-2.0	-111.50	350.41	4.47	-107.03
CCOC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CC1	REAL300020132306	0	40	-2.0	-109.91	343.96	3.49	-106.42
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=CC2=NC=CC=C21	REAL300020132307	0	37	-2.0	-120.43	347.05	4.95	-115.48
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=CC2=NC=CC=C21	REAL300020132307	1	37	-2.0	-120.40	347.08	4.95	-115.45
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)N1C	REAL300020132308	0	33	-2.0	-109.82	299.91	2.11	-107.71
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)N1C	REAL300020132308	1	33	-2.0	-109.77	299.95	2.13	-107.64
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020132309	0	36	-2.0	-113.93	345.37	3.88	-110.05
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020132309	1	36	-2.0	-113.86	345.41	3.90	-109.96
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132310	0	43	-2.0	-115.38	370.57	4.80	-110.58
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132310	1	43	-2.0	-115.40	370.61	4.82	-110.58
CCC(C)OC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132310	1	44	-1.0	-48.65	369.45	4.94	-43.71
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CCCC1	REAL300020132311	0	43	-2.0	-107.56	354.21	3.47	-104.09
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CCCCC1	REAL300020132312	0	46	-2.0	-108.27	370.81	4.01	-104.26
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1CCC1=CC=CC=C1	REAL300020132313	0	43	-2.0	-111.33	382.98	5.46	-105.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL300020132313	1	43	-2.0	-111.26	383.02	5.47	-105.79
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132314	0	35	-2.0	-114.05	325.79	5.24	-108.81
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132314	1	35	-2.0	-114.05	325.83	5.25	-108.80
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1CC1CC1	REAL300020132315	0	43	-2.0	-125.79	379.38	5.09	-120.70
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1CC1CC1	REAL300020132315	1	43	-2.0	-125.79	379.42	5.10	-120.69
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020132316	0	36	-2.0	-107.71	337.99	2.51	-105.20
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020132316	1	36	-2.0	-107.69	338.02	2.52	-105.17
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020132317	0	41	-2.0	-117.39	365.53	3.71	-113.68
CC(=O)N1CC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020132317	1	42	-1.0	-47.38	362.09	3.71	-43.67
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C1	REAL300020132317	1	41	-2.0	-117.39	365.57	3.72	-113.67
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2CC2)S1	REAL300020132318	0	33	-2.0	-109.26	320.29	2.64	-106.62
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CC2)S1	REAL300020132318	1	33	-2.0	-109.23	320.33	2.65	-106.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1[N+](=O)[O-]	REAL300020132319	0	38	-2.0	-108.29	344.62	5.46	-102.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1[N+](=O)[O-]	REAL300020132319	1	38	-2.0	-108.26	344.65	5.46	-102.80
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1[N+](=O)[O-]	REAL300020132319	1	39	-1.0	-49.48	340.28	5.75	-43.73
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020132320	0	38	-3.0	-200.99	350.05	5.82	-195.17
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020132320	1	39	-2.0	-123.32	347.66	5.89	-117.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020132320	1	38	-3.0	-200.93	350.08	5.83	-195.10
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132321	0	33	-2.0	-98.73	322.15	1.76	-96.97
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132321	1	33	-2.0	-98.65	322.19	1.77	-96.88
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)N=C1F	REAL300020132322	0	29	-2.0	-108.06	297.92	1.74	-106.32
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)N=C1F	REAL300020132322	1	29	-2.0	-108.05	297.96	1.75	-106.30
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300020132323	0	40	-2.0	-123.80	346.65	6.55	-117.25
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300020132323	1	40	-2.0	-123.75	346.68	6.55	-117.20
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300020132323	1	41	-1.0	-54.64	343.72	6.24	-48.40
O=S(=O)(CCC1=C(F)C=CC=C1F)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132324	0	36	-2.0	-112.78	335.80	4.75	-108.03
O=S(=O)(CCC1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132324	1	37	-1.0	-45.56	336.29	4.82	-40.74
O=S(=O)(CCC1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132324	1	37	-1.0	-45.52	336.25	4.82	-40.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1F	REAL300020132325	0	33	-2.0	-115.74	312.63	3.91	-111.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1F	REAL300020132325	1	33	-2.0	-115.69	312.66	3.92	-111.77
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)N=C1F	REAL300020132326	0	29	-2.0	-108.27	302.52	1.81	-106.46
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)N=C1F	REAL300020132326	1	29	-2.0	-108.23	302.55	1.83	-106.40
CCC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)C=C1OC	REAL300020132327	0	44	-1.0	-41.63	363.13	4.96	-36.67
CCC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(C)C=C1OC	REAL300020132327	1	43	-2.0	-110.35	366.79	4.70	-105.65
CCC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)C=C1OC	REAL300020132327	1	44	-1.0	-41.66	363.09	4.96	-36.70
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020132328	0	32	-2.0	-123.41	308.91	2.04	-121.37
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020132328	1	32	-2.0	-123.38	308.94	2.05	-121.33
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=N1	REAL300020132329	0	42	-2.0	-109.55	368.45	3.90	-105.65
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C)=N1	REAL300020132329	1	42	-2.0	-109.53	368.49	3.91	-105.62
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132330	0	43	-2.0	-107.89	375.64	4.65	-103.24
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132331	0	31	-3.0	-180.46	306.00	1.77	-178.69
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132331	1	31	-3.0	-180.35	306.04	1.77	-178.58
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132332	0	34	-2.0	-107.34	309.20	3.39	-103.95
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132332	1	34	-2.0	-107.33	309.26	3.40	-103.93
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(C)C	REAL300020132333	0	46	-2.0	-112.41	390.50	5.39	-107.02
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(C)C	REAL300020132333	1	47	-1.0	-43.87	388.66	5.49	-38.38
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(C)C	REAL300020132333	1	47	-1.0	-43.86	388.65	5.49	-38.37
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132334	0	42	-2.0	-109.37	358.77	5.40	-103.97
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132334	1	42	-2.0	-109.39	358.80	5.41	-103.98
CC(C)(C)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132334	1	43	-1.0	-46.06	356.83	5.50	-40.56
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132335	0	31	-2.0	-100.95	307.80	3.60	-97.35
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132335	1	31	-2.0	-100.94	307.84	3.62	-97.32
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1F	REAL300020132336	0	37	-2.0	-133.63	349.39	2.06	-131.57
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1F	REAL300020132336	1	37	-2.0	-133.55	349.43	2.07	-131.48
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C(F)(F)F	REAL300020132337	0	33	-2.0	-105.03	313.69	1.77	-103.26
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C(F)(F)F	REAL300020132337	1	33	-2.0	-104.98	313.73	1.78	-103.20
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=NC=NC=C12	REAL300020132338	0	32	-2.0	-110.17	303.82	2.18	-107.99
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2NC=NC=C12	REAL300020132338	1	32	-2.0	-122.91	303.71	2.33	-120.58
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=NC=NC=C12	REAL300020132338	1	32	-2.0	-110.17	303.85	2.19	-107.98
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL300020132339	0	34	-2.0	-119.61	314.29	3.11	-116.50
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL300020132339	1	34	-2.0	-119.51	314.32	3.12	-116.39
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132340	0	40	-2.0	-110.08	341.54	3.26	-106.82
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132340	1	40	-2.0	-110.06	341.57	3.27	-106.79
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C(C)(C)C)=N1	REAL300020132341	0	42	-2.0	-106.92	345.68	3.88	-103.04
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C(C)(C)C)=N1	REAL300020132341	1	42	-2.0	-106.85	345.70	3.89	-102.96
CCC(C)(C)CCS(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132342	0	42	-1.0	-42.26	335.18	3.95	-38.31
CCC(C)(C)CCS(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132342	1	42	-1.0	-42.28	335.14	3.95	-38.33
CCC(C)(C)CCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132342	1	41	-2.0	-106.71	334.72	3.88	-102.83
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCCC2)N=C1	REAL300020132343	0	40	-2.0	-110.44	347.95	3.50	-106.94
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCCC2)N=C1	REAL300020132343	1	40	-2.0	-110.45	347.99	3.51	-106.94
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132344	0	33	-2.0	-102.70	314.84	2.03	-100.67
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132344	1	33	-2.0	-102.69	314.87	2.05	-100.64
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Br)=N1	REAL300020132345	0	30	-2.0	-108.93	305.78	1.35	-107.58
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Br)=N1	REAL300020132345	1	30	-2.0	-108.94	305.82	1.36	-107.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CC1C1=CC=CC(F)=C1	REAL300020132346	0	37	-2.0	-109.81	337.02	5.38	-104.43
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC1C1=CC=CC(F)=C1	REAL300020132346	1	38	-1.0	-46.17	337.47	5.45	-40.72
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC1C1=CC=CC(F)=C1	REAL300020132346	1	38	-1.0	-46.18	337.43	5.45	-40.73
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1(COCC2=CC=CC=C2)CC1	REAL300020132347	0	44	-2.0	-115.17	387.47	5.64	-109.53
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CCCCC1	REAL300020132348	0	43	-2.0	-137.30	368.18	2.55	-134.75
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1)C1CCCCC1	REAL300020132348	1	43	-2.0	-137.27	368.22	2.55	-134.72
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1O	REAL300020132349	0	31	-2.0	-105.08	296.73	0.90	-104.18
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132350	0	40	-2.0	-111.39	357.75	5.92	-105.47
C=CCCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132350	1	41	-1.0	-44.26	355.83	6.02	-38.24
C=CCCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132350	1	41	-1.0	-44.24	355.86	6.03	-38.21
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132351	0	36	-2.0	-106.98	319.40	2.44	-104.54
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132351	1	36	-2.0	-106.88	319.42	2.44	-104.44
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132352	0	35	-2.0	-110.35	325.56	3.61	-106.74
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132352	1	35	-2.0	-110.34	325.59	3.63	-106.71
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132353	0	30	-2.0	-104.01	285.75	0.49	-103.52
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132353	1	30	-2.0	-103.94	285.78	0.51	-103.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C#N)=C1	REAL300020132354	0	34	-2.0	-117.63	320.05	4.09	-113.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C#N)=C1	REAL300020132354	1	34	-2.0	-117.64	320.08	4.10	-113.54
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132355	0	34	-2.0	-114.02	312.03	4.36	-109.66
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132355	1	34	-2.0	-114.00	312.06	4.37	-109.63
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(C(F)F)=C1	REAL300020132356	0	33	-2.0	-105.56	317.22	4.04	-101.52
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(C(F)F)=C1	REAL300020132356	1	34	-1.0	-41.40	315.30	4.13	-37.27
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(C(F)F)=C1	REAL300020132356	1	34	-1.0	-41.43	315.32	4.13	-37.30
O=S(=O)(C=CC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132357	0	35	-1.0	-42.43	328.98	5.00	-37.43
O=S(=O)(C=CC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132357	1	35	-1.0	-42.42	328.94	5.00	-37.42
O=S(=O)(C=CC1=CC=CC(Cl)=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132357	1	34	-2.0	-107.56	329.19	4.84	-102.72
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1CC	REAL300020132358	0	46	-2.0	-110.93	395.09	5.66	-105.27
CCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1CC	REAL300020132358	1	47	-1.0	-43.54	393.23	5.76	-37.78
CCCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1CC	REAL300020132358	1	47	-1.0	-43.59	393.22	5.76	-37.83
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132359	0	37	-2.0	-114.08	344.30	5.09	-108.99
N#CCCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132359	1	38	-1.0	-48.86	342.38	5.20	-43.66
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132359	1	37	-2.0	-113.98	344.33	5.10	-108.88
N#CCCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132359	1	38	-1.0	-48.80	342.40	5.20	-43.60
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132360	0	36	-2.0	-104.49	327.40	5.33	-99.16
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132360	1	37	-1.0	-44.36	324.02	5.07	-39.29
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132360	1	37	-1.0	-44.29	324.05	5.07	-39.22
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132361	0	30	-2.0	-101.85	299.79	-1.06	-102.91
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132361	1	30	-2.0	-101.81	299.83	-1.05	-102.86
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020132362	0	43	-2.0	-112.91	352.59	3.35	-109.56
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NS1	REAL300020132363	0	26	-2.0	-103.59	267.29	0.85	-102.74
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NS1	REAL300020132363	1	26	-2.0	-103.61	267.32	0.86	-102.75
CC(C)(CCS(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CC1	REAL300020132364	0	43	-1.0	-42.19	344.66	4.70	-37.49
CC(C)(CCS(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CC1	REAL300020132364	1	43	-1.0	-42.21	344.62	4.70	-37.51
CC(C)(CCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CC1	REAL300020132364	1	42	-2.0	-106.72	344.19	4.62	-102.10
O=S(=O)(C=CC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132365	0	35	-1.0	-44.92	326.50	4.90	-40.02
O=S(=O)(C=CC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132365	1	35	-1.0	-44.92	326.46	4.90	-40.02
O=S(=O)(C=CC1=CC=CC=C1Cl)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132365	1	34	-2.0	-111.93	326.70	4.75	-107.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132366	0	36	-3.0	-179.05	337.22	3.50	-175.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132366	1	36	-3.0	-178.99	337.25	3.51	-175.48
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(N)=O)O1	REAL300020132367	0	34	-2.0	-107.25	320.05	-1.25	-108.50
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(N)=O)O1	REAL300020132367	1	34	-2.0	-107.20	320.09	-1.24	-108.44
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132368	0	39	-2.0	-106.48	327.45	5.74	-100.74
CCCC1=CC=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132368	1	40	-1.0	-49.64	328.91	5.14	-44.50
CCCC1=CC=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132368	1	40	-1.0	-49.64	328.94	5.14	-44.50
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC=C1C(F)F	REAL300020132369	0	30	-2.0	-113.47	294.94	3.28	-110.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC=C1C(F)F	REAL300020132369	1	30	-2.0	-113.50	294.98	3.28	-110.22
O=S(=O)(CCC1=CC=CC(F)=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132370	0	36	-2.0	-106.37	331.58	4.76	-101.61
O=S(=O)(CCC1=CC=CC(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132370	1	37	-1.0	-45.37	332.06	4.84	-40.53
O=S(=O)(CCC1=CC=CC(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132370	1	37	-1.0	-45.41	332.02	4.83	-40.58
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(Cl)O1	REAL300020132371	0	29	-3.0	-173.55	309.12	2.69	-170.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(Cl)O1	REAL300020132371	1	29	-3.0	-173.47	309.14	2.69	-170.78
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=NC=C21	REAL300020132372	0	35	-2.0	-120.69	316.79	3.65	-117.04
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=NC=C21	REAL300020132372	1	35	-2.0	-120.68	316.83	3.65	-117.03
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132373	0	37	-2.0	-112.85	341.96	3.34	-109.51
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132373	1	37	-2.0	-112.89	341.99	3.35	-109.54
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020132374	0	31	-2.0	-114.14	306.37	3.56	-110.58
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020132374	1	31	-2.0	-114.11	306.40	3.57	-110.54
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020132375	0	29	-2.0	-113.61	279.34	-0.54	-114.15
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020132375	1	29	-2.0	-113.55	279.38	-0.52	-114.07
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132376	0	33	-2.0	-102.91	335.11	2.41	-100.50
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132376	1	33	-2.0	-102.88	335.14	2.43	-100.45
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020132377	0	44	-2.0	-109.09	376.11	3.22	-105.87
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020132377	1	45	-1.0	-45.92	374.16	3.33	-42.59
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020132377	1	45	-1.0	-45.88	374.18	3.32	-42.56
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020132378	0	44	-2.0	-135.38	381.38	5.08	-130.30
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020132378	1	44	-2.0	-135.29	381.41	5.09	-130.20
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020132378	1	45	-1.0	-51.95	379.45	5.19	-46.76
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCC2)N=C1	REAL300020132379	0	37	-2.0	-110.09	330.45	2.83	-107.26
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCC2)N=C1	REAL300020132379	1	37	-2.0	-110.12	330.48	2.84	-107.28
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1C1CCC1	REAL300020132380	0	37	-2.0	-107.69	327.84	3.02	-104.67
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1C1CCC1	REAL300020132380	1	37	-2.0	-107.67	327.87	3.04	-104.63
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1CC1CCC1	REAL300020132381	0	40	-2.0	-108.30	349.75	3.76	-104.54
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1CC1CCC1	REAL300020132381	1	40	-2.0	-108.26	349.79	3.77	-104.49
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020132382	0	30	-3.0	-202.32	319.51	2.74	-199.58
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020132382	1	31	-2.0	-90.76	316.95	2.76	-88.00
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020132382	1	31	-2.0	-90.72	316.99	2.77	-87.95
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=NN2C1	REAL300020132383	0	41	-2.0	-116.55	355.59	1.15	-115.40
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=NN2C1	REAL300020132383	1	41	-2.0	-116.53	355.63	1.16	-115.37
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2=CC=CC=C2)S1	REAL300020132384	0	36	-2.0	-112.28	347.38	4.05	-108.23
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2=CC=CC=C2)S1	REAL300020132384	1	36	-2.0	-112.25	347.42	4.06	-108.19
O=C1COC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020132385	0	36	-2.0	-108.86	331.26	0.37	-108.49
O=C1COC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020132385	1	36	-2.0	-108.87	331.30	0.39	-108.48
O=C1COC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020132385	1	37	-1.0	-47.90	329.36	0.47	-47.43
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)C=CO1	REAL300020132386	0	27	-2.0	-109.26	282.31	1.82	-107.44
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C=CO1	REAL300020132386	1	27	-2.0	-109.27	282.34	1.84	-107.43
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132387	0	34	-2.0	-101.53	326.42	2.69	-98.84
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132387	1	34	-2.0	-101.52	326.46	2.70	-98.82
COC1=C(F)C=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132387	1	35	-1.0	-41.47	324.47	2.79	-38.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2CCCCN12	REAL300020132388	0	37	-2.0	-116.10	324.93	3.17	-112.93
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2CCCCN12	REAL300020132388	1	37	-2.0	-116.04	324.96	3.17	-112.87
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132389	0	34	-2.0	-108.37	321.73	2.57	-105.80
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132389	1	34	-2.0	-108.36	321.76	2.58	-105.78
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020132390	0	46	-2.0	-110.77	382.87	5.23	-105.54
COC1=CC(C(C)C)=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020132390	1	47	-1.0	-48.83	381.05	4.92	-43.91
COC1=CC(C(C)C)=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020132390	1	47	-1.0	-48.88	381.02	4.92	-43.96
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132391	0	40	-2.0	-115.71	355.00	4.54	-111.17
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132391	1	40	-2.0	-115.66	355.04	4.55	-111.11
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132392	0	33	-2.0	-107.03	303.44	3.84	-103.19
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132392	1	33	-2.0	-107.01	303.48	3.85	-103.16
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C2O1	REAL300020132393	0	38	-2.0	-123.06	337.80	3.71	-119.35
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C2O1	REAL300020132393	1	38	-2.0	-123.07	337.84	3.74	-119.33
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132394	0	38	-2.0	-109.60	349.22	2.80	-106.80
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132394	1	38	-2.0	-109.56	349.26	2.81	-106.75
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020132395	0	38	-2.0	-114.91	348.79	5.35	-109.56
N#CC1(C2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020132395	1	39	-1.0	-45.68	346.94	5.45	-40.23
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC1	REAL300020132395	1	38	-2.0	-114.92	348.83	5.36	-109.56
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132396	0	34	-2.0	-114.58	317.01	3.81	-110.77
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132396	1	34	-2.0	-114.60	317.04	3.82	-110.78
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C=CC2=C1OCCO2	REAL300020132397	0	36	-2.0	-116.84	334.22	3.76	-113.08
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=CC2=C1OCCO2	REAL300020132397	1	36	-2.0	-116.76	334.26	3.77	-112.99
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020132398	0	44	-2.0	-134.14	379.98	4.76	-129.38
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020132398	1	44	-2.0	-134.11	380.01	4.77	-129.34
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020132398	1	45	-1.0	-63.33	378.59	4.89	-58.44
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC=C1Cl	REAL300020132399	0	27	-2.0	-107.28	285.98	2.58	-104.70
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC=C1Cl	REAL300020132399	1	27	-2.0	-107.28	286.01	2.59	-104.69
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132400	0	30	-2.0	-100.51	302.50	1.26	-99.25
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132400	1	30	-2.0	-100.45	302.54	1.27	-99.18
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=C1	REAL300020132401	0	32	-2.0	-101.49	314.45	2.30	-99.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=C1	REAL300020132401	1	32	-2.0	-101.42	314.48	2.31	-99.11
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132402	0	35	-2.0	-126.28	321.23	2.74	-123.54
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132402	1	35	-2.0	-126.18	321.26	2.76	-123.42
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132403	0	32	-2.0	-100.07	294.47	0.48	-99.59
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132403	1	32	-2.0	-100.07	294.51	0.49	-99.58
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)N1C[C@@H]2CCC[C@@H]2C1	REAL300020132404	0	40	-1.0	-45.47	323.07	3.18	-42.29
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)N1C[C@@H]2CCC[C@@H]2C1	REAL300020132404	1	40	-1.0	-45.49	323.03	3.17	-42.32
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NON=C2C=C1	REAL300020132405	0	31	-2.0	-100.12	295.43	1.93	-98.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NON=C2C=C1	REAL300020132405	1	31	-2.0	-100.10	295.47	1.94	-98.16
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NON=C2C=C1	REAL300020132405	1	32	-1.0	-43.02	293.18	2.00	-41.02
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2S1	REAL300020132406	0	33	-2.0	-114.90	319.38	4.58	-110.32
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2S1	REAL300020132406	1	33	-2.0	-114.86	319.42	4.59	-110.27
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2NC=C(Cl)C=C12	REAL300020132407	0	33	-2.0	-124.99	325.45	2.85	-122.14
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2NC=C(Cl)C=C12	REAL300020132407	1	33	-2.0	-124.97	325.49	2.86	-122.11
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132408	0	37	-2.0	-106.98	331.47	2.91	-104.07
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132408	1	37	-2.0	-106.98	331.51	2.92	-104.06
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1F	REAL300020132409	0	39	-2.0	-108.60	336.45	5.50	-103.10
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1F	REAL300020132409	1	40	-1.0	-44.96	330.50	5.40	-39.56
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1F	REAL300020132409	1	40	-1.0	-44.94	330.52	5.41	-39.53
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1OC	REAL300020132410	0	38	-2.0	-112.79	332.18	3.17	-109.62
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1OC	REAL300020132410	1	38	-2.0	-112.75	332.23	3.17	-109.58
O=C1NCCOC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020132411	0	39	-2.0	-114.34	348.86	0.37	-113.97
O=C1NCCOC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020132411	1	40	-1.0	-52.44	347.01	0.46	-51.98
O=C1NCCOC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020132411	1	40	-1.0	-52.36	347.02	0.47	-51.89
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=CC=CC=C12	REAL300020132412	0	33	-2.0	-114.62	310.32	3.42	-111.20
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=CC=CC=C12	REAL300020132412	1	33	-2.0	-114.55	310.35	3.44	-111.11
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1OC	REAL300020132413	0	38	-2.0	-120.54	340.01	3.47	-117.07
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1OC	REAL300020132413	1	38	-2.0	-120.48	340.05	3.48	-117.00
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C2CCCC2)=N1	REAL300020132414	0	43	-2.0	-114.45	369.35	4.04	-110.41
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C2CCCC2)=N1	REAL300020132414	1	43	-2.0	-114.46	369.38	4.05	-110.41
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2S1	REAL300020132415	0	34	-2.0	-115.01	331.40	5.08	-109.93
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2S1	REAL300020132415	1	34	-2.0	-114.99	331.43	5.09	-109.90
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C2CC2)=N1	REAL300020132416	0	37	-2.0	-111.76	335.81	3.07	-108.69
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C2CC2)=N1	REAL300020132416	1	37	-2.0	-111.72	335.85	3.09	-108.63
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)F)C=C1	REAL300020132417	0	34	-2.0	-111.31	319.80	2.71	-108.60
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)F)C=C1	REAL300020132417	1	35	-1.0	-44.80	317.85	2.82	-41.98
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)F)C=C1	REAL300020132417	1	35	-1.0	-44.72	317.87	2.82	-41.90
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=CC2=C1OCO2	REAL300020132418	0	33	-2.0	-119.55	309.98	2.34	-117.21
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=CC2=C1OCO2	REAL300020132418	1	33	-2.0	-119.58	310.02	2.35	-117.23
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=CC=C21	REAL300020132419	0	35	-2.0	-129.92	325.09	1.54	-128.38
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=CC=C21	REAL300020132419	1	35	-2.0	-129.95	325.13	1.55	-128.40
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C21	REAL300020132420	0	37	-2.0	-111.12	321.22	5.12	-106.00
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C21	REAL300020132420	1	37	-2.0	-111.07	321.26	5.12	-105.95
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN=C1N	REAL300020132421	0	34	-2.0	-111.31	308.55	0.85	-110.46
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN=C1N	REAL300020132421	1	34	-2.0	-111.30	308.59	0.86	-110.44
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN=C1N	REAL300020132421	1	35	-1.0	-47.09	306.91	0.95	-46.14
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132422	0	30	-2.0	-108.58	297.84	-0.99	-109.57
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132422	1	30	-2.0	-108.57	297.88	-0.98	-109.55
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)N=CN1	REAL300020132423	0	30	-2.0	-121.76	279.48	1.22	-120.54
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)N=CN1	REAL300020132423	1	30	-2.0	-121.68	279.52	1.23	-120.45
CC1(C)CCCN(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020132424	0	42	-1.0	-42.18	332.35	3.61	-38.57
CC1(C)CCCN(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020132424	1	42	-1.0	-42.20	332.32	3.61	-38.59
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=COC2=C(F)C=C1	REAL300020132425	0	33	-2.0	-108.77	314.27	3.53	-105.24
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=COC2=C(F)C=C1	REAL300020132425	1	33	-2.0	-108.73	314.30	3.54	-105.19
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C2CCC2)=N1	REAL300020132426	0	40	-2.0	-113.23	352.06	3.55	-109.68
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C2CCC2)=N1	REAL300020132426	1	40	-2.0	-113.21	352.10	3.55	-109.66
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132427	0	48	-2.0	-113.13	393.47	7.12	-106.01
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132427	1	49	-1.0	-49.72	391.68	6.80	-42.92
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132427	1	48	-2.0	-113.06	393.52	7.12	-105.94
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)SC=C1	REAL300020132428	0	27	-2.0	-106.90	286.38	2.67	-104.23
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)SC=C1	REAL300020132428	1	27	-2.0	-106.86	286.42	2.68	-104.18
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2CCC2)N=C1	REAL300020132429	0	40	-2.0	-110.82	354.52	3.78	-107.04
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2CCC2)N=C1	REAL300020132429	1	40	-2.0	-110.85	354.55	3.79	-107.06
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(C2CC2)C=CS1	REAL300020132430	0	34	-2.0	-115.28	318.67	4.25	-111.03
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(C2CC2)C=CS1	REAL300020132430	1	34	-2.0	-115.29	318.71	4.27	-111.02
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132431	0	43	-2.0	-125.57	370.36	1.54	-124.03
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132431	1	44	-1.0	-52.83	368.42	1.64	-51.19
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132431	1	43	-2.0	-125.54	370.39	1.55	-123.99
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL300020132432	0	39	-2.0	-136.11	345.97	4.34	-131.77
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL300020132432	1	39	-2.0	-136.13	346.00	4.36	-131.77
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132433	0	39	-2.0	-113.59	344.93	5.36	-108.23
CCCC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132433	1	40	-1.0	-45.10	343.19	5.45	-39.65
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132433	1	39	-2.0	-113.51	344.97	5.37	-108.14
CCCC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132433	1	40	-1.0	-45.14	343.21	5.45	-39.69
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132434	0	36	-2.0	-103.97	335.83	1.55	-102.42
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132434	1	36	-2.0	-103.90	335.86	1.56	-102.34
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132435	0	31	-2.0	-111.93	305.06	3.49	-108.44
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132435	1	31	-2.0	-111.88	305.09	3.49	-108.39
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132436	0	37	-2.0	-110.52	326.26	2.67	-107.85
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132436	1	37	-2.0	-110.55	326.30	2.68	-107.87
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020132437	0	34	-2.0	-97.27	336.99	4.49	-92.78
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020132437	1	34	-2.0	-97.20	337.02	4.50	-92.70
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)N1C[C@@H]2CC[C@@H]2C1	REAL300020132438	0	37	-1.0	-42.87	305.42	2.58	-40.29
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)N1C[C@@H]2CC[C@@H]2C1	REAL300020132438	1	37	-1.0	-42.93	305.38	2.58	-40.35
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132439	0	36	-2.0	-110.52	310.32	4.82	-105.70
CC1=CC=CC(C)=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132439	1	37	-1.0	-43.40	303.76	4.80	-38.60
CC1=CC=CC(C)=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132439	1	37	-1.0	-43.40	303.79	4.80	-38.60
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132440	0	39	-2.0	-103.88	327.58	3.04	-100.84
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132440	1	39	-2.0	-103.85	327.62	3.04	-100.81
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132441	0	39	-2.0	-110.50	345.06	2.85	-107.65
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132441	1	39	-2.0	-110.44	345.09	2.86	-107.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNN=C1C1CCC1	REAL300020132442	0	37	-2.0	-109.85	329.09	2.23	-107.62
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNN=C1C1CCC1	REAL300020132442	1	37	-2.0	-109.83	329.13	2.25	-107.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL300020132443	0	35	-2.0	-101.63	331.47	2.96	-98.67
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL300020132443	1	35	-2.0	-101.58	331.50	2.97	-98.61
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132444	0	41	-2.0	-109.84	354.81	3.96	-105.88
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132444	1	41	-2.0	-109.79	354.85	3.97	-105.82
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(F)=C1F	REAL300020132445	0	32	-2.0	-94.33	319.57	3.89	-90.44
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(F)=C1F	REAL300020132445	1	32	-2.0	-94.29	319.60	3.90	-90.39
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300020132446	0	33	-2.0	-101.53	326.02	4.21	-97.32
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300020132446	1	33	-2.0	-101.46	326.05	4.23	-97.23
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CF)C=C1	REAL300020132447	0	33	-2.0	-112.51	308.54	3.95	-108.56
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CF)C=C1	REAL300020132447	1	34	-1.0	-44.56	306.61	4.06	-40.50
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CF)C=C1	REAL300020132447	1	33	-2.0	-112.47	308.58	3.97	-108.50
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(C(F)(F)F)SC=C1	REAL300020132448	0	30	-2.0	-108.35	302.12	3.52	-104.83
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(C(F)(F)F)SC=C1	REAL300020132448	1	30	-2.0	-108.29	302.16	3.52	-104.77
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C(F)(F)F)=C1	REAL300020132449	0	30	-2.0	-102.14	312.27	3.25	-98.89
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C(F)(F)F)=C1	REAL300020132449	1	30	-2.0	-102.13	312.31	3.26	-98.87
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132450	0	33	-2.0	-105.58	302.72	1.36	-104.22
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132450	1	33	-2.0	-105.55	302.76	1.37	-104.18
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)N1CCC(F)(F)CC1	REAL300020132451	0	36	-1.0	-41.02	306.92	2.49	-38.53
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)N1CCC(F)(F)CC1	REAL300020132451	1	36	-1.0	-41.01	306.89	2.49	-38.52
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020132452	0	36	-2.0	-111.83	312.63	4.46	-107.37
CC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020132452	1	37	-1.0	-43.09	310.25	4.68	-38.41
CC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020132452	1	37	-1.0	-43.01	310.30	4.69	-38.32
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C(F)F	REAL300020132453	0	33	-2.0	-117.15	300.52	4.47	-112.68
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1C(F)F	REAL300020132453	1	33	-2.0	-117.19	300.55	4.47	-112.72
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132454	0	41	-2.0	-121.41	365.13	5.18	-116.23
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132454	1	41	-2.0	-121.40	365.16	5.19	-116.21
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132454	1	42	-1.0	-55.90	363.32	5.27	-50.63
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2CCC1	REAL300020132455	0	42	-1.0	-44.80	349.00	6.37	-38.43
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2CCC1	REAL300020132455	1	42	-1.0	-44.81	348.96	6.37	-38.44
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2CCC1	REAL300020132455	1	41	-2.0	-115.59	349.22	6.22	-109.37
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132456	0	40	-2.0	-114.88	360.79	4.83	-110.05
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020132456	1	40	-2.0	-114.80	360.82	4.84	-109.96
CC1(C)OC(=O)C2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132456	1	41	-1.0	-43.78	358.87	4.92	-38.86
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2OC1	REAL300020132457	0	36	-2.0	-106.62	343.00	4.18	-102.44
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132458	0	35	-2.0	-105.85	339.33	3.62	-102.23
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132458	1	35	-2.0	-105.86	339.36	3.63	-102.23
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132459	0	39	-2.0	-112.05	358.98	4.79	-107.26
CC(=O)OCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132459	1	40	-1.0	-46.92	357.08	4.89	-42.03
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132459	1	39	-2.0	-112.03	359.02	4.80	-107.23
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020132460	0	31	-2.0	-109.47	313.16	4.00	-105.47
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020132460	1	31	-2.0	-109.43	313.20	4.01	-105.42
O=C1CCC(=O)N1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132461	0	39	-2.0	-120.71	354.70	3.11	-117.60
O=C1CCC(=O)N1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132461	1	39	-2.0	-120.66	354.74	3.12	-117.54
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC=C1C(F)(F)F	REAL300020132462	0	30	-2.0	-109.03	300.31	3.41	-105.62
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC=C1C(F)(F)F	REAL300020132462	1	30	-2.0	-109.05	300.32	3.41	-105.64
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2CC2)=C1	REAL300020132463	0	37	-2.0	-114.03	329.76	5.25	-108.78
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2CC2)=C1	REAL300020132463	1	38	-1.0	-44.08	327.94	5.34	-38.74
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2CC2)=C1	REAL300020132463	1	37	-2.0	-113.96	329.80	5.26	-108.70
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=CS1	REAL300020132464	0	31	-2.0	-113.91	302.81	1.58	-112.33
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=CS1	REAL300020132464	1	31	-2.0	-113.87	302.85	1.59	-112.28
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1C(F)(F)F	REAL300020132465	0	33	-2.0	-106.93	311.76	4.63	-102.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1C(F)(F)F	REAL300020132465	1	33	-2.0	-106.92	311.84	4.63	-102.29
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132466	0	36	-2.0	-106.88	345.52	3.46	-103.42
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132466	1	36	-2.0	-106.86	345.55	3.47	-103.39
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)C=C1F	REAL300020132467	0	37	-2.0	-116.12	335.26	5.30	-110.82
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)C=C1F	REAL300020132467	1	37	-2.0	-116.09	335.30	5.31	-110.78
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1C1CCCC1	REAL300020132468	0	40	-2.0	-108.44	345.36	3.75	-104.69
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1C1CCCC1	REAL300020132468	1	40	-2.0	-108.42	345.40	3.77	-104.65
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132469	0	39	-2.0	-107.07	340.52	3.02	-104.05
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132469	1	39	-2.0	-107.07	340.55	3.03	-104.04
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132470	0	39	-2.0	-117.03	351.76	0.66	-116.37
CNC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132470	1	40	-1.0	-53.47	349.60	0.80	-52.67
CNC(=O)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132470	1	40	-1.0	-53.43	349.62	0.80	-52.63
CN(C(C)(C)C)S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132471	0	38	-1.0	-49.31	301.88	2.62	-46.69
CN(C(C)(C)C)S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132471	1	38	-1.0	-49.32	301.87	2.62	-46.70
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132472	0	33	-2.0	-119.98	334.48	-0.36	-120.34
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132472	1	33	-2.0	-119.96	334.52	-0.35	-120.31
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C2=N1	REAL300020132473	0	35	-2.0	-121.61	324.15	1.50	-120.11
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C2=N1	REAL300020132473	1	35	-2.0	-121.58	324.18	1.51	-120.07
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020132474	0	33	-2.0	-112.18	306.63	2.74	-109.44
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020132474	1	33	-2.0	-112.12	306.67	2.75	-109.37
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)O1	REAL300020132475	0	30	-2.0	-104.32	304.40	2.36	-101.96
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)O1	REAL300020132475	1	30	-2.0	-104.30	304.44	2.37	-101.93
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132476	0	34	-2.0	-105.12	321.49	3.05	-102.07
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132476	1	34	-2.0	-105.07	321.53	3.06	-102.01
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C2CCOCC2)=N1	REAL300020132477	0	44	-2.0	-110.80	378.88	2.28	-108.52
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C2CCOCC2)=N1	REAL300020132477	1	44	-2.0	-110.79	378.92	2.29	-108.50
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132478	0	36	-2.0	-112.51	333.76	4.68	-107.83
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132478	1	37	-1.0	-48.26	332.01	4.77	-43.49
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132478	1	36	-2.0	-112.49	333.79	4.69	-107.80
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC(F)F)=C1	REAL300020132479	0	34	-2.0	-111.62	319.80	2.72	-108.90
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC(F)F)=C1	REAL300020132479	1	34	-2.0	-111.60	319.84	2.74	-108.86
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC(F)F)=C1	REAL300020132479	1	35	-1.0	-46.95	317.94	2.82	-44.13
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)N1CCC(C2=CC=CC=C2)CC1	REAL300020132480	0	46	-1.0	-42.36	373.36	5.88	-36.48
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)N1CCC(C2=CC=CC=C2)CC1	REAL300020132480	1	46	-1.0	-42.33	373.37	5.88	-36.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132481	0	31	-2.0	-108.15	304.33	1.59	-106.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132481	1	31	-2.0	-108.14	304.37	1.60	-106.54
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020132482	0	41	-2.0	-127.21	352.01	5.49	-121.72
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020132482	1	41	-2.0	-127.18	352.05	5.49	-121.69
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)N1CCC(C(F)(F)F)CC1	REAL300020132483	0	39	-1.0	-41.29	333.38	3.33	-37.96
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)N1CCC(C(F)(F)F)CC1	REAL300020132483	1	39	-1.0	-41.25	333.38	3.33	-37.92
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CCF)N=C1	REAL300020132484	0	33	-2.0	-105.38	313.22	1.84	-103.54
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CCF)N=C1	REAL300020132484	1	33	-2.0	-105.32	313.26	1.85	-103.47
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132485	0	40	-2.0	-113.83	357.46	3.83	-110.00
CCOCC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132485	1	41	-1.0	-46.26	355.72	3.93	-42.33
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132485	1	40	-2.0	-113.73	357.50	3.84	-109.89
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020132486	0	33	-2.0	-106.08	332.22	2.60	-103.48
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020132486	1	33	-2.0	-106.09	332.25	2.62	-103.47
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132487	0	40	-2.0	-109.39	360.22	4.33	-105.06
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132487	1	40	-2.0	-109.39	360.26	4.35	-105.04
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCCCC2)N=C1	REAL300020132488	0	43	-2.0	-109.98	366.94	4.08	-105.90
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCCCC2)N=C1	REAL300020132488	1	43	-2.0	-109.93	366.97	4.09	-105.84
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020132489	0	41	-2.0	-109.58	369.22	5.99	-103.59
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020132489	1	42	-1.0	-44.64	367.44	6.09	-38.55
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020132489	1	42	-1.0	-44.64	367.47	6.09	-38.55
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1CF	REAL300020132490	0	33	-2.0	-113.93	302.23	4.06	-109.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1CF	REAL300020132490	1	33	-2.0	-113.91	302.27	4.06	-109.85
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1CF	REAL300020132490	1	34	-1.0	-44.47	296.86	4.37	-40.10
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132491	0	42	-2.0	-114.53	369.23	6.07	-108.46
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132491	1	42	-2.0	-114.44	369.27	6.07	-108.37
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132491	1	43	-1.0	-45.62	366.23	6.01	-39.61
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2C=CC=CN12	REAL300020132492	0	33	-2.0	-115.81	306.04	3.53	-112.28
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2C=CC=CN12	REAL300020132492	1	33	-2.0	-115.79	306.08	3.54	-112.25
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SC=NC2=C1	REAL300020132493	0	32	-2.0	-113.69	311.50	2.54	-111.15
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2SC=NC2=C1	REAL300020132493	1	32	-2.0	-113.70	311.53	2.55	-111.15
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SC=NC2=C1	REAL300020132493	1	33	-1.0	-49.32	309.49	2.63	-46.69
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020132494	0	32	-2.0	-109.81	301.26	0.01	-109.80
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020132494	1	32	-2.0	-109.78	301.29	0.02	-109.76
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020132495	0	33	-2.0	-105.23	322.21	2.06	-103.17
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020132495	1	33	-2.0	-105.17	322.25	2.07	-103.10
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)N=C1F	REAL300020132496	0	32	-2.0	-106.59	321.56	2.42	-104.17
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)N=C1F	REAL300020132496	1	32	-2.0	-106.57	321.59	2.43	-104.14
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)O1	REAL300020132497	0	27	-2.0	-105.63	280.29	1.76	-103.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)O1	REAL300020132497	1	27	-2.0	-105.58	280.33	1.77	-103.81
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CN=C(Cl)C=C21	REAL300020132498	0	35	-2.0	-119.67	333.75	4.12	-115.55
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CN=C(Cl)C=C21	REAL300020132498	1	35	-2.0	-119.66	333.79	4.12	-115.54
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CN=C(Cl)C=C21	REAL300020132498	1	36	-1.0	-53.01	333.45	4.26	-48.75
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020132499	0	39	-2.0	-120.87	339.31	5.99	-114.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020132499	1	39	-2.0	-120.82	339.35	6.00	-114.82
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020132499	1	40	-1.0	-48.10	339.00	6.14	-41.96
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCCF)C=C1	REAL300020132500	0	37	-2.0	-110.98	338.47	3.51	-107.47
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCCF)C=C1	REAL300020132500	1	38	-1.0	-47.15	336.56	3.61	-43.54
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCCF)C=C1	REAL300020132500	1	38	-1.0	-47.19	336.53	3.61	-43.58
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCCF)C=C1	REAL300020132500	1	37	-2.0	-110.90	338.50	3.53	-107.37
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132501	0	44	-2.0	-107.74	384.69	4.62	-103.12
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132501	1	45	-1.0	-45.65	383.23	4.76	-40.89
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020132501	1	44	-2.0	-107.70	384.73	4.63	-103.07
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1F	REAL300020132502	0	30	-2.0	-106.46	308.06	3.75	-102.71
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1F	REAL300020132502	1	30	-2.0	-106.43	308.10	3.76	-102.67
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020132503	0	36	-2.0	-125.70	344.17	-0.56	-126.26
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020132503	1	36	-2.0	-125.66	344.20	-0.55	-126.21
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL300020132504	0	40	-2.0	-115.24	356.24	4.61	-110.63
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL300020132504	1	40	-2.0	-115.20	356.27	4.62	-110.58
O=S(=O)(C=CC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132505	0	35	-1.0	-41.94	318.65	4.55	-37.39
O=S(=O)(C=CC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132505	1	35	-1.0	-41.91	318.62	4.55	-37.36
O=S(=O)(C=CC1=CC=C(F)C=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132505	1	34	-2.0	-107.25	318.86	4.39	-102.86
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)S1	REAL300020132506	0	34	-2.0	-112.29	324.37	4.46	-107.83
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)S1	REAL300020132506	1	34	-2.0	-112.24	324.40	4.47	-107.77
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020132507	0	33	-2.0	-99.50	325.99	3.96	-95.54
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020132507	1	33	-2.0	-99.50	326.03	3.97	-95.53
COC1=CC=C(C=C(C)S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132508	0	42	-1.0	-43.84	353.05	4.22	-39.62
COC1=CC=C(C=C(C)S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132508	1	42	-1.0	-43.90	353.02	4.20	-39.70
COC1=CC=C(C=C(C)S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132508	1	41	-2.0	-110.75	358.18	4.25	-106.50
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)C=NS1	REAL300020132509	0	26	-2.0	-100.16	284.48	1.56	-98.60
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C=NS1	REAL300020132509	1	26	-2.0	-100.11	284.51	1.57	-98.54
CC1=COC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132510	0	30	-2.0	-111.16	285.14	1.81	-109.35
CC1=COC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132510	1	30	-2.0	-111.14	285.17	1.82	-109.32
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132511	0	40	-2.0	-110.79	367.21	5.04	-105.75
COC(=O)C=CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132511	1	41	-1.0	-46.99	365.21	5.14	-41.85
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132511	1	40	-2.0	-110.85	367.25	5.05	-105.80
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1OC	REAL300020132512	0	35	-2.0	-110.08	333.55	1.16	-108.92
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1OC	REAL300020132512	1	35	-2.0	-110.05	333.58	1.16	-108.89
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C([O-])C=C1Cl	REAL300020132513	0	30	-3.0	-174.16	317.13	2.18	-171.98
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C([O-])C=C1Cl	REAL300020132513	1	31	-2.0	-83.16	314.15	1.88	-81.28
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(F)C(Cl)=C1	REAL300020132514	0	29	-2.0	-96.65	298.18	1.78	-94.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(F)C(Cl)=C1	REAL300020132514	1	29	-2.0	-96.65	298.21	1.79	-94.86
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(OC(F)F)=C1	REAL300020132515	0	34	-2.0	-110.25	326.03	2.79	-107.46
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(OC(F)F)=C1	REAL300020132515	1	35	-1.0	-43.11	323.55	2.87	-40.24
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(OC(F)F)=C1	REAL300020132515	1	34	-2.0	-110.26	326.06	2.80	-107.46
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132516	0	36	-2.0	-111.17	324.96	3.08	-108.09
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132516	1	36	-2.0	-111.11	325.00	3.09	-108.02
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132517	0	37	-2.0	-119.85	334.26	4.91	-114.94
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020132517	1	37	-2.0	-119.82	334.30	4.92	-114.90
CN1C=CC2=CC(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132517	1	38	-1.0	-50.11	332.26	5.00	-45.11
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1C(F)(F)F	REAL300020132518	0	33	-2.0	-112.07	311.23	4.55	-107.52
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1C(F)(F)F	REAL300020132518	1	33	-2.0	-111.98	311.27	4.55	-107.43
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(Cl)S1	REAL300020132519	0	27	-2.0	-100.00	305.61	3.23	-96.77
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(Cl)S1	REAL300020132519	1	27	-2.0	-99.96	305.65	3.24	-96.72
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020132520	0	30	-2.0	-104.66	300.43	1.19	-103.47
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020132520	1	30	-2.0	-104.63	300.46	1.20	-103.43
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132521	0	43	-2.0	-114.37	372.70	5.53	-108.84
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132521	1	43	-2.0	-114.33	372.74	5.55	-108.78
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1)C(F)F	REAL300020132522	0	35	-2.0	-108.97	333.22	3.82	-105.15
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1)C(F)F	REAL300020132522	1	35	-2.0	-108.89	333.26	3.83	-105.06
O=C(C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1)C(F)F	REAL300020132522	1	36	-1.0	-44.47	331.65	3.94	-40.53
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020132523	0	41	-2.0	-115.42	369.28	5.99	-109.43
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020132523	1	41	-2.0	-115.37	369.32	6.00	-109.37
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020132523	1	42	-1.0	-43.90	367.27	6.09	-37.81
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132524	0	36	-2.0	-119.94	317.23	5.00	-114.94
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132524	1	36	-2.0	-119.93	317.26	5.00	-114.93
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)OC=C1	REAL300020132525	0	28	-2.0	-108.59	284.70	1.59	-107.00
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)OC=C1	REAL300020132525	1	28	-2.0	-108.60	284.74	1.60	-107.00
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C1(F)F	REAL300020132526	0	35	-2.0	-107.09	335.41	1.72	-105.37
O=C1NC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1(F)F	REAL300020132526	1	36	-1.0	-49.97	333.50	1.83	-48.14
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C1(F)F	REAL300020132526	1	35	-2.0	-107.08	335.45	1.73	-105.35
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C2=NSN=C21	REAL300020132527	0	31	-2.0	-111.49	322.05	1.93	-109.56
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C2=NSN=C21	REAL300020132527	1	31	-2.0	-111.41	322.08	1.94	-109.47
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132528	0	39	-2.0	-115.53	362.46	2.19	-113.34
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132528	1	39	-2.0	-115.50	362.50	2.21	-113.29
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132528	1	38	-3.0	-186.07	359.17	1.07	-185.00
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132529	0	32	-2.0	-100.13	308.29	2.54	-97.59
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132529	1	32	-2.0	-100.10	308.32	2.55	-97.55
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132530	0	41	-2.0	-115.39	364.21	4.77	-110.62
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132530	1	41	-2.0	-115.42	364.25	4.78	-110.64
C=C(C)COC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132530	1	42	-1.0	-49.18	362.11	4.85	-44.33
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C2CC2)=N1	REAL300020132531	0	40	-2.0	-112.12	357.35	3.94	-108.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C2CC2)=N1	REAL300020132531	1	40	-2.0	-112.10	357.38	3.95	-108.15
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=NSN=C2C=C1	REAL300020132532	0	34	-2.0	-115.24	318.79	2.49	-112.75
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=NSN=C2C=C1	REAL300020132532	1	34	-2.0	-115.20	318.82	2.49	-112.71
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300020132533	0	36	-2.0	-109.95	343.19	5.92	-104.03
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300020132533	1	37	-1.0	-44.76	341.15	6.00	-38.76
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300020132533	1	36	-2.0	-109.95	343.22	5.93	-104.02
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(=O)NC(=O)N1	REAL300020132534	0	33	-2.0	-114.77	303.61	-1.14	-115.91
CC(=O)OC1CCN(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020132535	0	39	-1.0	-44.72	336.98	2.36	-42.36
CC(=O)OC1CCN(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020132535	1	39	-1.0	-44.70	337.00	2.36	-42.34
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(Cl)S1	REAL300020132536	0	33	-2.0	-113.28	336.86	4.07	-109.21
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(Cl)S1	REAL300020132536	1	33	-2.0	-113.24	336.90	4.08	-109.16
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132537	0	43	-2.0	-110.04	367.23	4.35	-105.69
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132537	1	43	-2.0	-109.99	367.27	4.36	-105.63
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)OC=C1	REAL300020132538	0	27	-2.0	-106.96	279.31	1.65	-105.31
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)OC=C1	REAL300020132538	1	27	-2.0	-106.89	279.35	1.66	-105.23
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CS1	REAL300020132539	0	27	-2.0	-104.74	289.35	2.66	-102.08
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CS1	REAL300020132539	1	27	-2.0	-104.71	289.39	2.67	-102.04
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132540	0	44	-2.0	-117.86	385.37	3.44	-114.42
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132540	1	44	-2.0	-117.92	385.41	3.45	-114.47
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1Cl	REAL300020132541	0	36	-2.0	-115.12	339.39	5.97	-109.15
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1Cl	REAL300020132541	1	36	-2.0	-115.09	339.43	5.98	-109.11
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132542	0	38	-2.0	-108.55	332.82	0.88	-107.67
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132542	1	38	-2.0	-108.50	332.86	0.90	-107.60
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C1CC1	REAL300020132543	0	37	-2.0	-113.02	324.10	5.31	-107.71
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C1CC1	REAL300020132543	1	38	-1.0	-43.61	320.46	5.53	-38.08
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1C1CC1	REAL300020132543	1	37	-2.0	-113.06	324.13	5.32	-107.74
CC1(C)CCN(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020132544	0	42	-1.0	-43.51	329.88	3.26	-40.25
CC1(C)CCN(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020132544	1	42	-1.0	-43.52	329.85	3.26	-40.26
CC(=O)OCC1CCN(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020132545	0	45	-1.0	-45.52	373.08	4.00	-41.52
CC(=O)OCC1CCN(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020132545	1	45	-1.0	-45.50	373.08	4.00	-41.50
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)N1CCN(CC(F)F)CC1	REAL300020132546	0	41	-1.0	-45.18	340.86	1.02	-44.16
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)N1CCN(CC(F)F)CC1	REAL300020132546	1	41	-1.0	-45.19	340.86	1.02	-44.17
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=N1	REAL300020132547	0	36	-2.0	-104.64	323.39	0.57	-104.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C)=N1	REAL300020132547	1	36	-2.0	-104.59	323.43	0.59	-104.00
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132548	0	36	-2.0	-115.86	327.96	0.95	-114.91
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132548	1	36	-2.0	-115.78	328.00	0.96	-114.82
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132549	0	33	-2.0	-108.77	323.26	0.80	-107.97
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132549	1	33	-2.0	-108.75	323.30	0.82	-107.93
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020132550	0	36	-2.0	-106.48	327.86	0.55	-105.93
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020132550	1	36	-2.0	-106.50	327.90	0.57	-105.93
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132551	0	39	-2.0	-109.02	347.96	3.24	-105.78
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132551	1	39	-2.0	-108.97	348.00	3.25	-105.72
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132552	0	39	-2.0	-110.64	344.15	2.87	-107.77
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132552	1	39	-2.0	-110.58	344.19	2.90	-107.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C(F)(F)F)=N1	REAL300020132553	0	29	-2.0	-107.51	307.88	1.12	-106.39
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C(F)(F)F)=N1	REAL300020132553	1	29	-2.0	-107.42	307.92	1.13	-106.29
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=CO1	REAL300020132554	0	28	-2.0	-111.16	283.51	1.54	-109.62
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=CO1	REAL300020132554	1	28	-2.0	-111.15	283.54	1.56	-109.59
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)SC=C1	REAL300020132555	0	28	-2.0	-107.29	292.60	2.48	-104.81
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)SC=C1	REAL300020132555	1	28	-2.0	-107.23	292.63	2.48	-104.75
O=S(=O)(C=CC1=CC=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132556	0	35	-1.0	-42.06	343.22	5.41	-36.65
O=S(=O)(C=CC1=CC=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132556	1	35	-1.0	-42.05	343.18	5.41	-36.64
O=S(=O)(C=CC1=CC=C(Cl)C=C1Cl)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132556	1	34	-2.0	-105.92	343.42	5.26	-100.66
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132557	0	36	-2.0	-106.48	322.27	2.40	-104.08
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132557	1	36	-2.0	-106.45	322.30	2.42	-104.03
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020132558	0	38	-2.0	-104.01	347.33	2.51	-101.50
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020132558	1	38	-2.0	-104.01	347.36	2.52	-101.49
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020132559	0	39	-3.0	-179.14	355.14	5.58	-173.56
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020132559	1	40	-2.0	-103.65	353.22	5.69	-97.96
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC1	REAL300020132559	1	39	-3.0	-179.10	355.17	5.59	-173.51
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132560	0	33	-2.0	-113.50	319.84	4.91	-108.59
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132560	1	33	-2.0	-113.50	319.88	4.92	-108.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1CC1CC1	REAL300020132561	0	37	-2.0	-105.36	332.75	3.26	-102.10
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1CC1CC1	REAL300020132561	1	37	-2.0	-105.30	332.79	3.28	-102.02
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1C1=CC=CC=C1	REAL300020132562	0	37	-2.0	-113.12	332.49	4.36	-108.76
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1C1=CC=CC=C1	REAL300020132562	1	37	-2.0	-113.11	332.53	4.37	-108.74
COC1=NOC(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132563	0	33	-2.0	-102.77	311.60	-0.53	-103.30
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=NN1C(C)C	REAL300020132564	0	39	-2.0	-108.70	345.03	2.89	-105.81
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=NN1C(C)C	REAL300020132564	1	39	-2.0	-108.65	345.07	2.89	-105.76
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2CC2(F)F)=C1	REAL300020132565	0	37	-2.0	-113.41	340.40	5.34	-108.07
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2CC2(F)F)=C1	REAL300020132565	1	38	-1.0	-46.87	338.63	5.44	-41.43
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2CC2(F)F)=C1	REAL300020132565	1	37	-2.0	-113.36	340.44	5.35	-108.01
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(C(F)F)=C1	REAL300020132566	0	32	-2.0	-107.47	307.89	2.17	-105.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(C(F)F)=C1	REAL300020132566	1	32	-2.0	-107.52	307.93	2.18	-105.34
O=S(=O)(F)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132567	0	30	-2.0	-107.76	319.95	-0.73	-108.49
O=S(=O)(F)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132567	1	30	-2.0	-107.75	319.99	-0.72	-108.47
CC(C)C1CC(CS(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020132568	0	43	-1.0	-42.32	351.01	4.90	-37.42
CC(C)C1CC(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020132568	1	42	-2.0	-107.77	350.52	4.82	-102.95
CC(C)C1CC(CS(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020132568	1	43	-1.0	-42.33	350.97	4.90	-37.43
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2(F)F)C=C1	REAL300020132569	0	37	-2.0	-114.94	342.05	5.37	-109.57
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2(F)F)C=C1	REAL300020132569	1	38	-1.0	-45.45	340.12	5.48	-39.97
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2(F)F)C=C1	REAL300020132569	1	37	-2.0	-114.87	342.08	5.38	-109.49
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=CC(Cl)=CC=C12	REAL300020132570	0	34	-2.0	-113.63	331.00	3.60	-110.03
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=CC(Cl)=CC=C12	REAL300020132570	1	34	-2.0	-113.55	331.04	3.61	-109.94
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020132571	0	39	-3.0	-180.54	354.45	5.60	-174.94
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020132571	1	40	-2.0	-100.12	351.17	5.67	-94.45
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C1	REAL300020132571	1	39	-3.0	-180.50	354.49	5.59	-174.91
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL300020132572	0	31	-2.0	-112.77	291.56	0.29	-112.48
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL300020132572	1	31	-2.0	-112.77	291.60	0.30	-112.47
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)F)=CC=C1F	REAL300020132573	0	33	-2.0	-120.00	320.20	4.13	-115.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)F)=CC=C1F	REAL300020132573	1	33	-2.0	-119.89	320.23	4.14	-115.75
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSN=C1	REAL300020132574	0	26	-2.0	-101.34	266.20	0.73	-100.61
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSN=C1	REAL300020132574	1	26	-2.0	-101.33	266.24	0.76	-100.57
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2CC2(F)F)C=C1	REAL300020132575	0	34	-2.0	-124.85	328.44	2.41	-122.44
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2CC2(F)F)C=C1	REAL300020132575	1	34	-2.0	-124.78	328.47	2.42	-122.36
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C1CC1(F)F	REAL300020132576	0	37	-2.0	-118.45	336.37	5.44	-113.01
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1C1CC1(F)F	REAL300020132576	1	37	-2.0	-118.45	336.41	5.44	-113.01
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C1CC1(F)F	REAL300020132576	1	38	-1.0	-44.05	332.72	5.67	-38.38
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1Cl	REAL300020132577	0	33	-2.0	-110.04	327.60	4.74	-105.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1Cl	REAL300020132577	1	33	-2.0	-110.01	327.63	4.76	-105.25
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300020132578	0	37	-2.0	-112.92	348.45	4.19	-108.73
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300020132578	1	37	-2.0	-112.87	348.49	4.20	-108.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C(F)F)=C1	REAL300020132579	0	37	-2.0	-111.41	331.56	3.64	-107.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C(F)F)=C1	REAL300020132579	1	37	-2.0	-111.40	331.59	3.65	-107.75
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C(F)F)=C1	REAL300020132579	1	38	-1.0	-48.06	325.08	3.93	-44.13
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020132580	0	43	-2.0	-114.86	379.91	5.67	-109.19
COC(=O)C1CC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020132580	1	44	-1.0	-48.44	378.10	5.78	-42.66
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C1	REAL300020132580	1	43	-2.0	-114.86	379.95	5.67	-109.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020132581	0	38	-2.0	-127.92	338.27	4.31	-123.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020132581	1	38	-2.0	-127.94	338.30	4.32	-123.62
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300020132582	0	35	-3.0	-175.90	327.06	3.82	-172.08
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300020132582	1	35	-3.0	-175.81	327.11	3.83	-171.98
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132583	0	43	-2.0	-121.40	370.01	5.14	-116.26
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132583	1	43	-2.0	-121.42	370.05	5.15	-116.27
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(Cl)S1	REAL300020132584	0	30	-2.0	-102.11	307.09	3.53	-98.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(Cl)S1	REAL300020132584	1	30	-2.0	-102.02	307.12	3.53	-98.49
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CS1	REAL300020132585	0	26	-2.0	-106.17	267.13	0.25	-105.92
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CS1	REAL300020132585	1	26	-2.0	-106.10	267.16	0.26	-105.84
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCCCN2N=C1	REAL300020132586	0	37	-2.0	-110.60	326.27	2.45	-108.15
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCCCN2N=C1	REAL300020132586	1	37	-2.0	-110.53	326.31	2.47	-108.06
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132587	0	33	-2.0	-117.13	307.45	3.86	-113.27
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132587	1	33	-2.0	-117.09	307.48	3.88	-113.21
CCCN(CC1=NC(=O)C2=C(C=CS2)N1)C(=O)CCC1=N[N-]N=N1	REAL300020132588	0	40	-1.0	-63.28	352.87	3.79	-59.49
CCCN(CC1=NC(=O)C2=C(C=CS2)N1)C(=O)CCC1=NN=N[N-]1	REAL300020132588	1	40	-1.0	-63.28	352.93	3.80	-59.48
CN(CCC=C1C2=CC=CC=C2CCC2=CC=CC=C21)C(=O)CCC1=N[N-]N=N1	REAL300020132589	0	53	-1.0	-43.52	422.83	11.10	-32.42
CN(CCC=C1C2=CC=CC=C2CCC2=CC=CC=C21)C(=O)CCC1=NN=N[N-]1	REAL300020132589	1	53	-1.0	-43.52	422.88	11.12	-32.40
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=NC(C3=CC=CS3)=NO2)CC1	REAL300020132590	0	43	-1.0	-44.30	371.79	2.10	-42.20
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=NC(C3=CC=CS3)=NO2)CC1	REAL300020132590	1	43	-1.0	-44.27	371.74	2.08	-42.19
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCCCC2)N=C1	REAL300020132591	0	40	-1.0	-39.57	322.30	3.27	-36.30
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCCCC2)N=C1	REAL300020132591	1	40	-1.0	-39.62	322.35	3.28	-36.34
COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020132592	0	40	-1.0	-42.37	340.42	2.83	-39.54
COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020132592	1	40	-1.0	-42.42	340.48	2.85	-39.57
O=C(CCC1=N[N-]N=N1)NC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300020132593	0	38	-1.0	-47.54	334.57	1.19	-46.35
O=C(CCC1=NN=N[N-]1)NC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300020132593	1	38	-1.0	-47.56	334.62	1.20	-46.36
CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C(=O)CCC1=N[N-]N=N1	REAL300020132594	0	47	-1.0	-55.78	386.94	4.35	-51.43
CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C(=O)CCC1=NN=N[N-]1	REAL300020132594	1	47	-1.0	-55.75	387.00	4.36	-51.39
CS(=O)(=O)NC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132595	0	34	-1.0	-45.38	305.40	-0.72	-46.10
CS(=O)(=O)NC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132595	1	34	-1.0	-45.43	305.46	-0.70	-46.13
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(NC(=O)C2CC2)=C1	REAL300020132596	0	37	-1.0	-43.74	318.41	3.07	-40.67
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(NC(=O)C2CC2)=C1	REAL300020132596	1	37	-1.0	-43.74	318.47	3.08	-40.66
NC(=O)C1=CC=C(CN(C(=O)CCC2=N[N-]N=N2)C2CC2)C=C1	REAL300020132597	0	40	-1.0	-48.41	325.99	2.61	-45.80
NC(=O)C1=CC=C(CN(C(=O)CCC2=NN=N[N-]2)C2CC2)C=C1	REAL300020132597	1	40	-1.0	-48.39	326.04	2.62	-45.77
COC1=CC=C(C2CCCN2C(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020132598	0	44	-1.0	-44.78	357.94	5.36	-39.42
COC1=CC=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020132598	1	44	-1.0	-44.80	358.00	5.37	-39.43
C[NH+]1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020132599	0	44	0.0	-67.38	343.93	3.65	-63.73
C[NH+]1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020132599	1	44	0.0	-67.41	343.98	3.66	-63.75
CC1=NC(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)=CS1	REAL300020132600	0	35	-1.0	-47.75	316.39	4.01	-43.74
CC1=NC(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)=CS1	REAL300020132600	1	35	-1.0	-47.74	316.33	4.00	-43.74
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C2CC2)C=C1	REAL300020132601	0	40	-1.0	-39.66	326.65	4.79	-34.87
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C2CC2)C=C1	REAL300020132601	1	40	-1.0	-39.70	326.71	4.81	-34.89
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1NC(=O)C1=CC=CO1	REAL300020132602	0	37	-1.0	-40.93	342.74	3.43	-37.50
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1NC(=O)C1=CC=CO1	REAL300020132602	1	37	-1.0	-40.91	342.79	3.45	-37.46
C[NH+]1CCN(C2=CC=C(C(F)(F)F)C=C2NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020132603	0	47	0.0	-69.81	384.58	5.23	-64.58
C[NH+]1CCN(C2=CC=C(C(F)(F)F)C=C2NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020132603	1	47	0.0	-69.78	384.64	5.25	-64.53
CN1CCN(C2=CC=C(C(F)(F)F)C=C2NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020132603	1	46	-1.0	-39.55	382.93	2.81	-36.74
CN1CCN(C2=CC=C(C(F)(F)F)C=C2NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020132603	1	46	-1.0	-39.57	382.98	2.82	-36.75
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)NC2=CC=C(F)C=C2)CC1	REAL300020132604	0	42	-1.0	-43.68	346.95	4.40	-39.28
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)NC2=CC=C(F)C=C2)CC1	REAL300020132604	1	42	-1.0	-43.68	347.01	4.41	-39.27
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1NC(=O)C1=CC=CC=C1	REAL300020132605	0	40	-1.0	-42.31	340.88	4.90	-37.41
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1NC(=O)C1=CC=CC=C1	REAL300020132605	1	40	-1.0	-42.28	340.94	4.92	-37.36
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)NNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132606	0	47	-1.0	-46.76	407.14	1.13	-45.63
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)NNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132606	1	47	-1.0	-46.68	407.20	1.14	-45.54
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300020132607	0	45	-1.0	-47.21	392.29	0.54	-46.67
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300020132607	1	45	-1.0	-47.21	392.34	0.56	-46.65
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCCCC2)C=C1	REAL300020132608	0	41	-1.0	-39.99	324.51	3.85	-36.14
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCCCC2)C=C1	REAL300020132608	1	41	-1.0	-40.03	324.57	3.87	-36.16
COC1=CC(C(=O)NNC(=O)CCC2=N[N-]N=N2)=CC=C1OCCC(C)C	REAL300020132609	0	50	-1.0	-42.18	411.43	3.65	-38.53
COC1=CC(C(=O)NNC(=O)CCC2=NN=N[N-]2)=CC=C1OCCC(C)C	REAL300020132609	1	50	-1.0	-42.18	411.48	3.67	-38.51
COC1=CC(C(=O)NNC(=O)CCC2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020132610	0	44	-1.0	-42.60	368.76	2.17	-40.43
COC1=CC(C(=O)NNC(=O)CCC2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020132610	1	44	-1.0	-42.58	368.82	2.18	-40.40
CC(C)C1=CC=C(S(=O)(=O)N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020132611	0	50	-1.0	-43.58	408.01	4.45	-39.13
CC(C)C1=CC=C(S(=O)(=O)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020132611	1	50	-1.0	-43.61	408.06	4.47	-39.14
CC1=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)SC(N2CCOCC2)=N1	REAL300020132612	0	42	-1.0	-41.00	362.62	-0.91	-41.91
CC1=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)SC(N2CCOCC2)=N1	REAL300020132612	1	42	-1.0	-41.08	362.68	-0.89	-41.97
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1	REAL300020132613	0	38	-2.0	-97.56	345.02	-2.38	-99.94
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1	REAL300020132613	1	38	-2.0	-97.57	345.08	-2.37	-99.94
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2=NN=C3CCCCCN32)=C1	REAL300020132614	0	45	-1.0	-56.69	358.49	6.32	-50.37
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=NN=C3CCCCCN32)=C1	REAL300020132614	1	45	-1.0	-56.74	358.55	6.33	-50.41
CCOC1=CC=C(CN(C)C(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020132615	0	43	-1.0	-43.62	355.35	4.92	-38.70
CCOC1=CC=C(CN(C)C(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020132615	1	43	-1.0	-43.60	355.41	4.94	-38.66
CN(CC1=CC=CC=C1Br)C(=O)CCC1=N[N-]N=N1	REAL300020132616	0	32	-1.0	-41.78	285.48	5.30	-36.48
CN(CC1=CC=CC=C1Br)C(=O)CCC1=NN=N[N-]1	REAL300020132616	1	32	-1.0	-41.80	285.54	5.32	-36.48
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300020132617	0	40	-1.0	-43.84	334.11	5.74	-38.10
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300020132617	1	40	-1.0	-43.84	334.17	5.76	-38.08
O=C(CCC1=NN=N[N-]1)N1CCN(C2=NC=C(C(F)(F)F)C=C2Cl)CC1	REAL300020132618	0	40	-1.0	-39.52	360.70	4.70	-34.82
O=C(CCC1=N[N-]N=N1)N1CCN(C2=NC=C(C(F)(F)F)C=C2Cl)CC1	REAL300020132618	1	40	-1.0	-39.48	360.65	4.68	-34.80
CN(CC1=CC=C(C(C)(C)C)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020132619	0	44	-1.0	-40.97	350.91	7.13	-33.84
CN(CC1=CC=C(C(C)(C)C)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020132619	1	44	-1.0	-40.99	350.97	7.14	-33.85
O=C(CCC1=N[N-]N=N1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1	REAL300020132620	0	41	-1.0	-46.31	356.30	2.78	-43.53
O=C(CCC1=NN=N[N-]1)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1	REAL300020132620	1	41	-1.0	-46.27	356.35	2.80	-43.47
CC1=CC(Cl)=CC(C)=C1OC(C)C(=O)NNC(=O)CCC1=N[N-]N=N1	REAL300020132621	0	43	-1.0	-41.56	378.45	4.61	-36.95
CC1=CC(Cl)=CC(C)=C1OC(C)C(=O)NNC(=O)CCC1=NN=N[N-]1	REAL300020132621	1	43	-1.0	-41.60	378.51	4.63	-36.97
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(CN2C=CC=N2)C=C1	REAL300020132622	0	39	-1.0	-43.89	341.42	4.36	-39.53
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(CN2C=CC=N2)C=C1	REAL300020132622	1	39	-1.0	-43.90	341.36	4.35	-39.55
CC1=CC=C(NC(=O)C(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1C	REAL300020132623	0	40	-1.0	-40.69	346.31	0.93	-39.76
CC1=CC=C(NC(=O)C(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1C	REAL300020132623	1	40	-1.0	-40.66	346.25	0.92	-39.74
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(Cl)C=C1Cl	REAL300020132624	0	29	-1.0	-38.89	288.72	3.62	-35.27
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(Cl)C=C1Cl	REAL300020132624	1	29	-1.0	-38.91	288.78	3.64	-35.27
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020132625	0	47	0.0	-66.03	361.44	4.50	-61.53
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020132625	1	47	0.0	-66.02	361.50	4.50	-61.52
CCCCN(C)S(=O)(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132626	0	46	-1.0	-44.83	392.58	2.97	-41.86
CCCCN(C)S(=O)(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132626	1	46	-1.0	-44.81	392.64	2.99	-41.82
CC1=CC(N2CCCC2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020132627	0	41	-1.0	-40.29	323.11	3.81	-36.48
CC1=CC(N2CCCC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020132627	1	41	-1.0	-40.28	323.17	3.82	-36.46
CC1=CC(Br)=CC=C1NC(=O)CNC(=O)CCC1=N[N-]N=N1	REAL300020132628	0	36	-1.0	-42.09	330.55	2.58	-39.51
CC1=CC(Br)=CC=C1NC(=O)CNC(=O)CCC1=NN=N[N-]1	REAL300020132628	1	36	-1.0	-42.09	330.60	2.60	-39.49
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020132629	0	42	-1.0	-40.58	349.26	6.95	-33.63
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020132629	1	42	-1.0	-40.58	349.32	6.96	-33.62
O=C(CCC1=N[N-]N=N1)N1CCC(C2=NC3=CC=CC=C3S2)CC1	REAL300020132630	0	41	-1.0	-44.98	347.66	5.87	-39.11
O=C(CCC1=NN=N[N-]1)N1CCC(C2=NC3=CC=CC=C3S2)CC1	REAL300020132630	1	41	-1.0	-44.97	347.72	5.88	-39.09
CN(CC1=CC=C2OCCOC2=C1)C(=O)CCC1=N[N-]N=N1	REAL300020132631	0	38	-1.0	-46.06	319.20	3.96	-42.10
CN(CC1=CC=C2OCCOC2=C1)C(=O)CCC1=NN=N[N-]1	REAL300020132631	1	38	-1.0	-46.02	319.26	3.98	-42.04
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020132632	0	32	-1.0	-38.66	296.36	4.16	-34.50
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020132632	1	32	-1.0	-38.66	296.42	4.17	-34.49
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CC=C(Cl)C=C1Cl	REAL300020132633	0	30	-1.0	-40.19	299.64	2.43	-37.76
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=CC=C(Cl)C=C1Cl	REAL300020132633	1	30	-1.0	-40.23	299.70	2.45	-37.78
CC(C)NS(=O)(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132634	0	40	-1.0	-44.81	348.33	0.25	-44.56
CC(C)NS(=O)(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132634	1	40	-1.0	-44.80	348.38	0.26	-44.54
CNS(=O)(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132635	0	34	-1.0	-45.43	308.08	-1.25	-46.68
CNS(=O)(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132635	1	34	-1.0	-45.46	308.14	-1.24	-46.70
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1	REAL300020132636	0	40	-2.0	-97.58	364.46	2.12	-95.46
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1	REAL300020132636	1	40	-2.0	-97.54	364.51	2.14	-95.40
CC(OC1=CC=CC(Br)=C1)C(=O)NNC(=O)CCC1=N[N-]N=N1	REAL300020132637	0	37	-1.0	-43.96	342.66	3.22	-40.74
CC(OC1=CC=CC(Br)=C1)C(=O)NNC(=O)CCC1=NN=N[N-]1	REAL300020132637	1	37	-1.0	-43.92	342.72	3.23	-40.69
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C(S(=O)(=O)N2CCCC2)=C1	REAL300020132638	0	41	-1.0	-49.07	359.76	1.96	-47.11
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C(S(=O)(=O)N2CCCC2)=C1	REAL300020132638	1	41	-1.0	-49.06	359.81	1.97	-47.09
O=C(CCC1=N[N-]N=N1)N1CCC(C(O)(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300020132639	0	53	-1.0	-41.78	405.84	7.39	-34.39
O=C(CCC1=NN=N[N-]1)N1CCC(C(O)(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300020132639	1	53	-1.0	-41.78	405.90	7.40	-34.38
CC1=CC=CC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2C)=C1	REAL300020132640	0	44	-1.0	-39.17	348.52	5.07	-34.10
CC1=CC=CC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2C)=C1	REAL300020132640	1	44	-1.0	-39.13	348.58	5.09	-34.04
COC1=CC=C(C(CNC(=O)CCC2=N[N-]N=N2)[NH+]2CCCC2)C=C1	REAL300020132641	0	49	0.0	-62.39	383.37	5.07	-57.32
COC1=CC=C(C(CNC(=O)CCC2=NN=N[N-]2)[NH+]2CCCC2)C=C1	REAL300020132641	1	49	0.0	-62.41	383.42	5.09	-57.32
O=C(CCC1=N[N-]N=N1)NCC1([NH+]2CCCCC2)CCCCC1	REAL300020132642	0	51	0.0	-56.98	353.01	6.24	-50.74
O=C(CCC1=NN=N[N-]1)NCC1([NH+]2CCCCC2)CCCCC1	REAL300020132642	1	51	0.0	-56.99	353.07	6.27	-50.72
COC1=CC=C(C(CNC(=O)CCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300020132643	0	45	0.0	-62.93	353.09	4.75	-58.18
COC1=CC=C(C(CNC(=O)CCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300020132643	1	45	0.0	-62.95	353.15	4.76	-58.19
CC1=CC(Br)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020132644	0	29	-1.0	-38.20	270.61	4.04	-34.16
CC1=CC(Br)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020132644	1	29	-1.0	-38.22	270.66	4.06	-34.16
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CC2=C(CCCCC2)S1	REAL300020132645	0	40	-1.0	-40.36	343.44	3.67	-36.69
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=CC2=C(CCCCC2)S1	REAL300020132645	1	40	-1.0	-40.42	343.49	3.69	-36.73
O=C(CCC1=N[N-]N=N1)N1CCN(C2=C(F)C(F)=C(F)C(F)=C2F)CC1	REAL300020132646	0	38	-1.0	-38.68	335.37	4.24	-34.44
O=C(CCC1=NN=N[N-]1)N1CCN(C2=C(F)C(F)=C(F)C(F)=C2F)CC1	REAL300020132646	1	38	-1.0	-38.70	335.43	4.26	-34.44
COC1=CC=CC(C(CNC(=O)CCC2=N[N-]N=N2)[NH+]2CCCC2)=C1	REAL300020132647	0	49	0.0	-58.30	380.20	5.74	-52.56
COC1=CC=CC(C(CNC(=O)CCC2=NN=N[N-]2)[NH+]2CCCC2)=C1	REAL300020132647	1	49	0.0	-58.31	380.26	5.75	-52.56
CN(C)C(CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020132648	0	40	-1.0	-39.88	328.49	3.11	-36.77
CN(C)C(CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020132648	1	40	-1.0	-39.88	328.55	3.13	-36.75
CCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1S(=O)(=O)N1CCCC1	REAL300020132649	0	48	-1.0	-52.94	400.66	2.46	-50.48
CCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1S(=O)(=O)N1CCCC1	REAL300020132649	1	48	-1.0	-52.95	400.72	2.47	-50.48
NS(=O)(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)S1	REAL300020132650	0	31	-1.0	-45.67	304.17	-3.20	-48.87
NS(=O)(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)S1	REAL300020132650	1	31	-1.0	-45.68	304.22	-3.18	-48.86
O=C(CCC1=N[N-]N=N1)NCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020132651	0	42	-1.0	-40.66	348.48	6.67	-33.99
O=C(CCC1=NN=N[N-]1)NCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020132651	1	42	-1.0	-40.65	348.54	6.69	-33.96
CCN(CC)S(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1C	REAL300020132652	0	46	-1.0	-51.46	376.12	2.73	-48.73
CCN(CC)S(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1C	REAL300020132652	1	46	-1.0	-51.48	376.17	2.74	-48.74
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1S(=O)(=O)N1CCCCC1	REAL300020132653	0	47	-1.0	-50.14	371.96	2.89	-47.25
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1S(=O)(=O)N1CCCCC1	REAL300020132653	1	47	-1.0	-50.13	372.02	2.91	-47.22
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1S(=O)(=O)N1CCCCCC1	REAL300020132654	0	50	-1.0	-51.78	389.62	3.91	-47.87
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1S(=O)(=O)N1CCCCCC1	REAL300020132654	1	50	-1.0	-51.80	389.67	3.92	-47.88
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300020132655	0	40	-1.0	-50.79	334.16	1.08	-49.71
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300020132655	1	40	-1.0	-50.82	334.22	1.10	-49.72
CCOC1=CC=C(NC(=O)C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)C=C1	REAL300020132656	0	47	-1.0	-47.58	394.55	4.81	-42.77
CCOC1=CC=C(NC(=O)C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)C=C1	REAL300020132656	1	47	-1.0	-47.53	394.61	4.83	-42.70
O=C(CCC1=N[N-]N=N1)NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300020132657	0	51	0.0	-70.25	403.39	3.21	-67.04
O=C(CCC1=NN=N[N-]1)NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300020132657	1	51	0.0	-70.25	403.45	3.22	-67.03
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300020132658	0	47	-1.0	-42.54	379.17	3.28	-39.26
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300020132658	1	47	-1.0	-42.59	379.23	3.29	-39.30
COC1=CC=CC=C1C(CNC(=O)CCC1=N[N-]N=N1)[NH+]1CCCC1	REAL300020132659	0	49	0.0	-55.43	376.95	5.46	-49.97
COC1=CC=CC=C1C(CNC(=O)CCC1=NN=N[N-]1)[NH+]1CCCC1	REAL300020132659	1	49	0.0	-55.45	377.01	5.48	-49.97
CC1CC[NH+](C(CNC(=O)CCC2=N[N-]N=N2)C2=CC=CS2)CC1	REAL300020132660	0	48	0.0	-57.95	382.01	6.20	-51.75
CC1CC[NH+](C(CNC(=O)CCC2=NN=N[N-]2)C2=CC=CS2)CC1	REAL300020132660	1	48	0.0	-57.96	382.06	6.21	-51.75
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020132661	0	35	-1.0	-40.01	313.81	4.52	-35.49
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020132661	1	35	-1.0	-40.00	313.87	4.54	-35.46
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=NC3=CC=CC=C3S2)C1	REAL300020132662	0	41	-1.0	-44.78	346.27	5.78	-39.00
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=NC3=CC=CC=C3S2)C1	REAL300020132662	1	41	-1.0	-44.77	346.33	5.80	-38.97
CCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1S(=O)(=O)N(CC)CC	REAL300020132663	0	50	-1.0	-44.07	406.36	2.93	-41.14
CCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1S(=O)(=O)N(CC)CC	REAL300020132663	1	50	-1.0	-44.11	406.41	2.94	-41.17
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300020132664	0	41	-1.0	-39.51	345.17	4.56	-34.95
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300020132664	1	41	-1.0	-39.51	345.23	4.58	-34.93
O=C(CCC1=N[N-]N=N1)NC1=CC=C2OC3(CCCC3)OC2=C1	REAL300020132665	0	39	-1.0	-43.78	323.21	4.02	-39.76
O=C(CCC1=NN=N[N-]1)NC1=CC=C2OC3(CCCC3)OC2=C1	REAL300020132665	1	39	-1.0	-43.77	323.27	4.04	-39.73
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=CC=C(Br)S2)CC1	REAL300020132666	0	38	-1.0	-38.95	340.84	3.90	-35.05
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=CC=C(Br)S2)CC1	REAL300020132666	1	38	-1.0	-38.91	340.90	3.91	-35.00
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=C(F)C=CC=C2Cl)CC1	REAL300020132667	0	41	-1.0	-40.45	346.00	4.41	-36.04
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=C(F)C=CC=C2Cl)CC1	REAL300020132667	1	41	-1.0	-40.46	346.06	4.42	-36.04
O=C(CCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=CC=C1N1CCCCC1	REAL300020132668	0	44	-1.0	-39.61	366.16	5.47	-34.14
O=C(CCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=CC=C1N1CCCCC1	REAL300020132668	1	44	-1.0	-39.64	366.22	5.48	-34.16
O=C(CCC1=N[N-]N=N1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020132669	0	45	-1.0	-41.32	369.08	7.33	-33.99
O=C(CCC1=NN=N[N-]1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020132669	1	45	-1.0	-41.32	369.14	7.34	-33.98
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300020132670	0	41	-1.0	-39.90	342.86	4.77	-35.13
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300020132670	1	41	-1.0	-39.88	342.92	4.79	-35.09
C=CCN(CC1=CC=C(Cl)S1)C(=O)CCC1=N[N-]N=N1	REAL300020132671	0	33	-1.0	-41.28	316.91	6.04	-35.24
C=CCN(CC1=CC=C(Cl)S1)C(=O)CCC1=NN=N[N-]1	REAL300020132671	1	33	-1.0	-41.22	316.97	6.06	-35.16
COC1=CC=C(C(C)(C)C)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020132672	0	42	-1.0	-41.22	335.65	4.34	-36.88
COC1=CC=C(C(C)(C)C)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020132672	1	42	-1.0	-41.18	335.71	4.36	-36.82
COC1=CC(C(=O)NNC(=O)CCC2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020132673	0	42	-1.0	-42.04	362.18	0.57	-41.47
COC1=CC(C(=O)NNC(=O)CCC2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020132673	1	42	-1.0	-42.07	362.24	0.59	-41.48
CCOC1=CC(C(=O)NNC(=O)CCC2=N[N-]N=N2)=CC(OCC)=C1OCC	REAL300020132674	0	51	-1.0	-41.49	427.74	3.36	-38.13
CCOC1=CC(C(=O)NNC(=O)CCC2=NN=N[N-]2)=CC(OCC)=C1OCC	REAL300020132674	1	51	-1.0	-41.48	427.80	3.38	-38.10
O=C(CCC1=N[N-]N=N1)NNC(=O)C1COC2=CC=CC=C2O1	REAL300020132675	0	36	-1.0	-43.56	318.07	1.57	-41.99
O=C(CCC1=NN=N[N-]1)NNC(=O)C1COC2=CC=CC=C2O1	REAL300020132675	1	36	-1.0	-43.56	318.13	1.58	-41.98
CCCOC1=CC=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1OCCC	REAL300020132676	0	52	-1.0	-41.52	420.53	6.17	-35.35
CCCOC1=CC=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1OCCC	REAL300020132676	1	52	-1.0	-41.51	420.59	6.18	-35.33
COC1=CC=C(CCNC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020132677	0	40	-1.0	-44.13	337.83	2.66	-41.47
COC1=CC=C(CCNC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020132677	1	40	-1.0	-44.12	337.89	2.68	-41.44
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CCOC1=CC=CC=C1OCC(=O)NNC(=O)CCC1=N[N-]N=N1	REAL300020132681	0	41	-1.0	-47.92	355.04	2.70	-45.22
CCOC1=CC=CC=C1OCC(=O)NNC(=O)CCC1=NN=N[N-]1	REAL300020132681	1	41	-1.0	-47.93	355.10	2.71	-45.22
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132682	0	41	-1.0	-46.97	365.11	-0.56	-47.53
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132682	1	41	-1.0	-46.95	365.17	-0.55	-47.50
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CCN(CC)S(=O)(=O)C1=CC=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132683	1	49	-1.0	-43.65	411.88	3.26	-40.39
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CN(CC1=CC=C(Br)S1)C(=O)CCC1=N[N-]N=N1	REAL300020132686	0	29	-1.0	-41.33	287.58	4.63	-36.70
CN(CC1=CC=C(Br)S1)C(=O)CCC1=NN=N[N-]1	REAL300020132686	1	29	-1.0	-41.34	287.64	4.66	-36.68
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CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300020132688	1	32	-1.0	-40.29	291.34	4.05	-36.24
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CSC1=NC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2S1	REAL300020132689	1	32	-1.0	-42.52	307.24	3.24	-39.28
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CC1=CC=CC=C1C[NH+]1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020132690	1	45	0.0	-62.26	346.88	6.92	-55.34
CC1=CC=C(C)C(S(=O)(=O)N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020132691	0	47	-1.0	-43.54	372.06	3.47	-40.07
CC1=CC=C(C)C(S(=O)(=O)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020132691	1	47	-1.0	-43.54	372.12	3.48	-40.06
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COC1=CC=C(S(=O)(=O)N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020132693	0	45	-1.0	-44.93	377.24	1.83	-43.10
COC1=CC=C(S(=O)(=O)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020132693	1	45	-1.0	-44.89	377.30	1.84	-43.05
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CC1=CC=C(SC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)C(C)=C1	REAL300020132696	1	43	-1.0	-41.13	371.52	7.91	-33.22
CC1=CC=CC(OC2=CC=CC=C2NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132697	0	40	-1.0	-40.24	342.12	6.20	-34.04
CC1=CC=CC(OC2=CC=CC=C2NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132697	1	40	-1.0	-40.25	342.17	6.21	-34.04
CC1=CC=C(C)C(SC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)=C1	REAL300020132698	0	43	-1.0	-40.68	372.02	7.93	-32.75
CC1=CC=C(C)C(SC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)=C1	REAL300020132698	1	43	-1.0	-40.71	372.08	7.94	-32.77
O=C(CCC1=N[N-]N=N1)NNC(=O)COC1=CC=C(F)C=C1	REAL300020132699	0	34	-1.0	-44.08	310.35	2.09	-41.99
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O=C(CCC1=NN=N[N-]1)NCC(C1=CNC2=CC=CC=C12)C1=CC=CC=C1Cl	REAL300020132700	1	46	-1.0	-43.14	396.57	7.21	-35.93
CC1=CC=CC(OC2=CC=C(Cl)C=C2NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132701	0	40	-1.0	-40.31	356.57	6.69	-33.62
CC1=CC=CC(OC2=CC=C(Cl)C=C2NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132701	1	40	-1.0	-40.30	356.63	6.71	-33.59
CC1=CC=CC(OC(C)C(=O)NNC(=O)CCC2=N[N-]N=N2)=C1C	REAL300020132702	0	43	-1.0	-43.50	358.47	3.85	-39.65
CC1=CC=CC(OC(C)C(=O)NNC(=O)CCC2=NN=N[N-]2)=C1C	REAL300020132702	1	43	-1.0	-43.51	358.52	3.86	-39.65
CC(OC1=CC=CC=C1F)C(=O)NNC(=O)CCC1=N[N-]N=N1	REAL300020132703	0	37	-1.0	-47.30	326.80	2.68	-44.62
CC(OC1=CC=CC=C1F)C(=O)NNC(=O)CCC1=NN=N[N-]1	REAL300020132703	1	37	-1.0	-47.32	326.85	2.69	-44.63
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CCN1N=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL300020132705	0	41	-1.0	-41.69	356.23	1.82	-39.87
CCN1N=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL300020132705	1	41	-1.0	-41.72	356.29	1.84	-39.88
CN1N=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL300020132706	0	38	-1.0	-41.85	335.16	0.91	-40.94
CN1N=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL300020132706	1	38	-1.0	-41.90	335.22	0.92	-40.98
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CC(C)N1N=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL300020132708	0	44	-1.0	-41.45	375.37	2.56	-38.89
CC(C)N1N=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL300020132708	1	44	-1.0	-41.48	375.42	2.58	-38.90
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C(S(=O)(=O)N2CCOCC2)=C1	REAL300020132709	0	42	-1.0	-49.04	361.49	0.05	-48.99
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C(S(=O)(=O)N2CCOCC2)=C1	REAL300020132709	1	42	-1.0	-49.09	361.55	0.06	-49.03
CCCN1N=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL300020132710	0	44	-1.0	-41.40	377.73	2.57	-38.83
CCCN1N=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL300020132710	1	44	-1.0	-41.46	377.79	2.58	-38.88
COC1=CC(OC)=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020132711	0	34	-1.0	-42.49	305.00	1.85	-40.64
COC1=CC(OC)=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020132711	1	34	-1.0	-42.47	305.06	1.87	-40.60
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O=C(CCC1=NN=N[N-]1)NC1=CC=CC(I)=C1	REAL300020132715	1	26	-1.0	-40.50	259.62	3.68	-36.82
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COC1=CC(NC(=O)C2=CC=CC=C2)=C(OC)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020132717	0	48	-1.0	-44.63	400.08	3.43	-41.20
COC1=CC(NC(=O)C2=CC=CC=C2)=C(OC)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020132717	1	48	-1.0	-44.62	400.14	3.45	-41.17
O=C(CCC1=N[N-]N=N1)N1CCN(CCOC2=CC=CC=C2)CC1	REAL300020132718	0	45	-1.0	-40.82	358.45	3.70	-37.12
O=C(CCC1=NN=N[N-]1)N1CCN(CCOC2=CC=CC=C2)CC1	REAL300020132718	1	45	-1.0	-40.87	358.51	3.72	-37.15
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC(F)(F)F)C=C1	REAL300020132719	0	30	-1.0	-38.05	277.51	2.36	-35.69
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC(F)(F)F)C=C1	REAL300020132719	1	30	-1.0	-38.04	277.57	2.38	-35.66
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CN(C)S(=O)(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132721	0	37	-1.0	-44.44	328.10	0.53	-43.91
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132721	1	37	-1.0	-44.46	328.16	0.55	-43.91
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O=C(CCC1=NN=N[N-]1)N1CC=C(C2=CN=C3NC=CC=C23)CC1	REAL300020132724	1	40	-1.0	-50.54	335.89	5.80	-44.74
CCC(C)(C)C1=CC=C(OC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)C=C1	REAL300020132725	0	52	-1.0	-40.65	411.37	8.22	-32.43
CCC(C)(C)C1=CC=C(OC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)C=C1	REAL300020132725	1	52	-1.0	-40.68	411.43	8.23	-32.45
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(S(=O)(=O)N2CCOCC2)=C1	REAL300020132726	0	42	-1.0	-44.51	359.45	0.16	-44.35
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(S(=O)(=O)N2CCOCC2)=C1	REAL300020132726	1	42	-1.0	-44.51	359.51	0.17	-44.34
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300020132727	0	41	-1.0	-51.10	369.79	0.73	-50.37
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300020132727	1	41	-1.0	-51.15	369.85	0.75	-50.40
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=CC=C2F)CC1	REAL300020132728	0	38	-1.0	-41.26	307.07	3.76	-37.50
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=CC=C2F)CC1	REAL300020132728	1	38	-1.0	-41.27	307.13	3.77	-37.50
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CN(CC1=CC=C(Br)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020132739	0	32	-1.0	-40.45	296.07	5.43	-35.02
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CC1=CC=CC(CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020132752	0	44	-1.0	-39.22	349.12	4.53	-34.69
CC1=CC=CC(CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020132752	1	44	-1.0	-39.24	349.18	4.54	-34.70
CC1=CC=CC(C[NH+]2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020132752	1	45	0.0	-63.04	352.16	6.92	-56.12
CC1=CC=CC(C[NH+]2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020132752	1	45	0.0	-63.03	352.22	6.94	-56.09
N#CC1=C(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)OC(C2=CC=CO2)=N1	REAL300020132753	0	42	-1.0	-43.14	364.96	0.26	-42.88
N#CC1=C(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)OC(C2=CC=CO2)=N1	REAL300020132753	1	42	-1.0	-43.09	364.91	0.24	-42.85
CNS(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1C	REAL300020132754	0	37	-1.0	-49.16	323.13	-0.33	-49.49
CNS(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1C	REAL300020132754	1	37	-1.0	-49.18	323.19	-0.32	-49.50
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CC(C)(C)NS(=O)(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132756	0	43	-1.0	-42.56	354.08	0.52	-42.04
CC(C)(C)NS(=O)(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132756	1	43	-1.0	-42.57	354.14	0.53	-42.04
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O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300020132758	0	32	-1.0	-45.32	298.59	2.08	-43.24
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300020132758	1	32	-1.0	-45.29	298.65	2.09	-43.20
COC1=CC=CC=C1N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020132759	0	42	-1.0	-40.61	332.48	3.34	-37.27
COC1=CC=CC=C1N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020132759	1	42	-1.0	-40.60	332.53	3.35	-37.25
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O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CC1	REAL300020132760	1	43	-1.0	-42.11	372.83	6.77	-35.34
CC(C)(C)C1CCC2=C(C=C(C(=O)NNC(=O)CCC3=N[N-]N=N3)S2)C1	REAL300020132761	0	49	-1.0	-39.99	395.22	5.11	-34.88
CC(C)(C)C1CCC2=C(C=C(C(=O)NNC(=O)CCC3=NN=N[N-]3)S2)C1	REAL300020132761	1	49	-1.0	-39.98	395.28	5.13	-34.85
CN(CCOC1=CC=C(Br)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020132762	0	36	-1.0	-39.69	324.64	5.12	-34.57
CN(CCOC1=CC=C(Br)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020132762	1	36	-1.0	-39.71	324.70	5.13	-34.58
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=C(Br)S1	REAL300020132763	0	26	-2.0	-87.49	283.08	0.46	-87.03
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=C(Br)S1	REAL300020132763	1	26	-2.0	-87.46	283.14	0.47	-86.99
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CC=C(Br)S1	REAL300020132763	1	27	-1.0	-38.75	284.17	1.18	-37.57
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=CC=C(Br)S1	REAL300020132763	1	27	-1.0	-38.75	284.23	1.20	-37.55
CC1CCC2=C(C=C(C(=O)NNC(=O)CCC3=N[N-]N=N3)S2)C1	REAL300020132764	0	40	-1.0	-40.21	346.95	3.67	-36.54
CC1CCC2=C(C=C(C(=O)NNC(=O)CCC3=NN=N[N-]3)S2)C1	REAL300020132764	1	40	-1.0	-40.18	347.01	3.68	-36.50
CC1=CC(Br)=CC=C1NC(=O)CN(C)C(=O)CCC1=N[N-]N=N1	REAL300020132765	0	39	-1.0	-48.49	349.47	4.93	-43.56
CC1=CC(Br)=CC=C1NC(=O)CN(C)C(=O)CCC1=NN=N[N-]1	REAL300020132765	1	39	-1.0	-48.51	349.53	4.95	-43.56
CC1=CC=C(SCC(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132766	0	37	-1.0	-42.53	334.94	3.27	-39.26
CC1=CC=C(SCC(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132766	1	37	-1.0	-42.53	335.00	3.29	-39.24
CC1=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020132767	0	39	-1.0	-41.04	354.33	2.99	-38.05
CC1=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020132767	1	39	-1.0	-41.03	354.27	2.98	-38.05
CC1=C(C(=O)[N-]NC(=O)CCC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020132767	1	38	-2.0	-93.25	353.18	2.25	-91.00
CC1=C(C(=O)[N-]NC(=O)CCC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020132767	1	38	-2.0	-93.26	353.12	2.24	-91.02
CN(CC(=O)NC1=CC=C(Cl)C(Cl)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020132768	0	36	-1.0	-46.73	341.30	4.41	-42.32
CN(CC(=O)NC1=CC=C(Cl)C(Cl)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020132768	1	36	-1.0	-46.71	341.36	4.42	-42.29
COC1=CC=CC(NC(=O)CN(C)C(=O)CCC2=N[N-]N=N2)=C1	REAL300020132769	0	40	-1.0	-51.95	339.16	2.72	-49.23
COC1=CC=CC(NC(=O)CN(C)C(=O)CCC2=NN=N[N-]2)=C1	REAL300020132769	1	40	-1.0	-51.97	339.22	2.73	-49.24
CC(C)CC1=CC=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132770	0	44	-1.0	-39.01	356.22	6.22	-32.79
CC(C)CC1=CC=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132770	1	44	-1.0	-38.99	356.27	6.23	-32.76
CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020132771	0	35	-1.0	-40.94	313.51	5.81	-35.13
CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020132771	1	35	-1.0	-40.93	313.57	5.82	-35.11
CN(CC1COC2=CC=CC=C2O1)C(=O)CCC1=N[N-]N=N1	REAL300020132772	0	38	-1.0	-42.57	317.76	4.11	-38.46
CN(CC1COC2=CC=CC=C2O1)C(=O)CCC1=NN=N[N-]1	REAL300020132772	1	38	-1.0	-42.58	317.82	4.12	-38.46
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)C2CCCO2)CC1	REAL300020132773	0	41	-1.0	-45.73	323.85	2.91	-42.82
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)C2CCCO2)CC1	REAL300020132773	1	41	-1.0	-45.74	323.91	2.93	-42.81
COC1=CC(NC(=O)CCC2=N[N-]N=N2)=C(OC)C=C1Cl	REAL300020132774	0	34	-1.0	-39.53	305.81	1.84	-37.69
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=C(OC)C=C1Cl	REAL300020132774	1	34	-1.0	-39.55	305.87	1.86	-37.69
O=C(CCC1=N[N-]N=N1)N1CCC(C2=NC3=CC=CC=C3O2)CC1	REAL300020132775	0	41	-1.0	-46.11	338.43	3.39	-42.72
O=C(CCC1=NN=N[N-]1)N1CCC(C2=NC3=CC=CC=C3O2)CC1	REAL300020132775	1	41	-1.0	-46.09	338.49	3.41	-42.68
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020132776	0	40	-1.0	-42.52	326.94	4.51	-38.01
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020132776	1	40	-1.0	-42.50	327.00	4.53	-37.97
CCOC1=CC=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020132777	0	41	-1.0	-42.80	350.86	1.55	-41.25
CCOC1=CC=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020132777	1	41	-1.0	-42.80	350.92	1.56	-41.24
CCCCOC1=CC=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020132778	0	47	-1.0	-42.40	393.86	3.13	-39.27
CCCCOC1=CC=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020132778	1	47	-1.0	-42.37	393.92	3.15	-39.22
CCCOC1=CC=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020132779	0	44	-1.0	-42.40	372.36	2.35	-40.05
CCCOC1=CC=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020132779	1	44	-1.0	-42.42	372.42	2.37	-40.05
O=C(CCC1=N[N-]N=N1)NCC(C1=CC=CO1)N1CCCCC1	REAL300020132780	0	44	-1.0	-39.99	346.83	2.67	-37.32
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CC1=CC=CC(NC(=S)NNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132814	0	35	-1.0	-42.50	313.86	4.11	-38.39
CC1=CC=CC(NC(=S)NNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132814	1	35	-1.0	-42.49	313.92	4.12	-38.37
CC1=CC=CC(OC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)=C1	REAL300020132815	0	40	-1.0	-41.19	341.56	6.09	-35.10
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CC1=CC=C(OCC(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132816	0	37	-1.0	-44.13	325.34	2.70	-41.43
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CCOC1=CC=C(OC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)C=C1	REAL300020132817	0	44	-1.0	-41.25	371.50	5.63	-35.62
CCOC1=CC=C(OC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)C=C1	REAL300020132817	1	44	-1.0	-41.23	371.55	5.65	-35.58
COC1=CC=C(NC(C)=O)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020132818	0	37	-1.0	-43.20	315.29	0.90	-42.30
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CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1I	REAL300020132822	0	29	-1.0	-40.64	276.82	4.22	-36.42
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1I	REAL300020132822	1	29	-1.0	-40.65	276.88	4.23	-36.42
CCOC1=CC=C(CCNC(=O)CCC2=N[N-]N=N2)C=C1OCC	REAL300020132823	0	46	-1.0	-43.92	381.55	4.50	-39.42
CCOC1=CC=C(CCNC(=O)CCC2=NN=N[N-]2)C=C1OCC	REAL300020132823	1	46	-1.0	-43.89	381.60	4.52	-39.37
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CC(C)CCOC1=CC=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132826	0	46	-1.0	-40.55	382.22	3.77	-36.78
CC(C)CCOC1=CC=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132826	1	46	-1.0	-40.54	382.28	3.78	-36.76
CN(C)S(=O)(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132827	0	37	-1.0	-44.85	326.98	0.58	-44.27
CN(C)S(=O)(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132827	1	37	-1.0	-44.83	327.03	0.59	-44.24
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CCCOC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132829	0	38	-1.0	-40.46	329.85	4.94	-35.52
CCCOC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132829	1	38	-1.0	-40.45	329.91	4.96	-35.49
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COC1=CC(OC)=CC(C(=O)NNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132832	0	38	-1.0	-42.90	329.33	0.02	-42.88
COC1=CC(OC)=CC(C(=O)NNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132832	1	38	-1.0	-42.93	329.39	0.03	-42.90
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1S(=O)(=O)N1CCCCC1	REAL300020132833	0	48	-1.0	-52.04	390.99	2.44	-49.60
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1S(=O)(=O)N1CCCCC1	REAL300020132833	1	48	-1.0	-52.04	391.05	2.45	-49.59
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1S(=O)(=O)N1CCOCC1	REAL300020132834	0	46	-1.0	-52.36	383.48	-0.01	-52.37
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1S(=O)(=O)N1CCOCC1	REAL300020132834	1	46	-1.0	-52.32	383.54	0.01	-52.31
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O=C(CCC1=NN=N[N-]1)NNC(=O)C12CC3CC(CC(C3)C1)C2	REAL300020132835	1	44	-1.0	-39.47	335.26	3.34	-36.13
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CCCCC1=CC=C(NC(=S)NNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132839	1	44	-1.0	-42.11	378.14	6.40	-35.71
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CC1=CC(C(=O)NNC(=O)CCC2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL300020132841	1	44	-1.0	-42.71	377.06	5.41	-37.30
CC1=CC=C(C(C)C)C(OCC(=O)NNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132842	0	46	-1.0	-43.93	383.96	4.66	-39.27
CC1=CC=C(C(C)C)C(OCC(=O)NNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132842	1	46	-1.0	-43.96	384.02	4.67	-39.29
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CN(C1=CC=CC=C1)S(=O)(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132844	0	44	-1.0	-44.33	384.71	4.06	-40.27
CN(C1=CC=CC=C1)S(=O)(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132844	1	44	-1.0	-44.30	384.77	4.08	-40.22
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COC1=CC(C)=C(CN(C)C(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020132846	0	43	-1.0	-44.80	348.47	5.16	-39.64
COC1=CC(C)=C(CN(C)C(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020132846	1	43	-1.0	-44.82	348.53	5.17	-39.65
CC(C)(C)C1=CC=C(OCCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132847	0	45	-1.0	-40.86	363.65	4.63	-36.23
CC(C)(C)C1=CC=C(OCCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132847	1	45	-1.0	-40.87	363.71	4.65	-36.22
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CC1=CC=C(NC(=O)C(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132850	0	37	-1.0	-40.59	329.30	0.41	-40.18
CC1=CC=C(NC(=O)C(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132850	1	37	-1.0	-40.56	329.25	0.39	-40.17
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O=C(CCC1=NN=N[N-]1)NCC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300020132853	1	45	-1.0	-44.97	386.00	0.28	-44.69
CC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C(C)=C2)CC1	REAL300020132854	0	50	0.0	-65.33	379.17	5.17	-60.16
CC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C(C)=C2)CC1	REAL300020132854	1	50	0.0	-65.33	379.22	5.18	-60.15
COC1=CC=C(OCCN(C)C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132855	0	40	-1.0	-41.37	332.85	3.78	-37.59
COC1=CC=C(OCCN(C)C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132855	1	40	-1.0	-41.43	332.91	3.79	-37.64
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1S(N)(=O)=O	REAL300020132856	0	34	-1.0	-44.72	301.03	-1.77	-46.49
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1S(N)(=O)=O	REAL300020132856	1	34	-1.0	-44.71	301.08	-1.76	-46.47
CC1=CC(S(N)(=O)=O)=CC(NC(=O)CCC2=N[N-]N=N2)=C1C	REAL300020132857	0	37	-1.0	-47.69	321.20	-1.07	-48.76
CC1=CC(S(N)(=O)=O)=CC(NC(=O)CCC2=NN=N[N-]2)=C1C	REAL300020132857	1	37	-1.0	-47.68	321.25	-1.06	-48.74
CC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020132858	0	47	0.0	-66.16	361.16	4.28	-61.88
CC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020132858	1	47	0.0	-66.18	361.21	4.30	-61.88
CC(C)NC(=O)CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020132859	0	44	-1.0	-44.61	349.53	0.58	-44.03
CC(C)NC(=O)CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020132859	1	44	-1.0	-44.60	349.59	0.59	-44.01
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O=C(CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1)N1CCCC1	REAL300020132860	1	45	-1.0	-45.00	353.02	2.15	-42.85
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300020132861	0	44	-1.0	-41.35	367.19	5.03	-36.32
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O=C(CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1)NC1=CC=C(F)C=C1	REAL300020132862	1	45	-1.0	-46.05	369.48	2.70	-43.35
CC1=CC=CC(C)=C1NC(=O)CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020132863	0	51	-1.0	-45.09	399.75	4.31	-40.78
CC1=CC=CC(C)=C1NC(=O)CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020132863	1	51	-1.0	-45.10	399.81	4.33	-40.77
CCC1=CC=CC=C1NC(=O)CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020132864	0	51	-1.0	-45.32	401.44	4.30	-41.02
CCC1=CC=CC=C1NC(=O)CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020132864	1	51	-1.0	-45.31	401.50	4.32	-40.99
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=CC=CS2)CC1	REAL300020132865	0	38	-1.0	-38.89	319.16	3.18	-35.71
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=CC=CS2)CC1	REAL300020132865	1	38	-1.0	-38.88	319.22	3.20	-35.68
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CN=CN1C1=CC=CC=C1	REAL300020132866	0	37	-1.0	-42.96	328.69	3.88	-39.08
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=CN=CN1C1=CC=CC=C1	REAL300020132866	1	37	-1.0	-42.99	328.75	3.90	-39.09
O=C(CCC1=NN=N[N-]1)NC1=CC=C2N=C(N3CCOCC3)SC2=C1	REAL300020132867	0	41	-1.0	-43.25	352.43	2.14	-41.11
O=C(CCC1=N[N-]N=N1)NC1=CC=C2N=C(N3CCOCC3)SC2=C1	REAL300020132867	1	41	-1.0	-43.21	352.37	2.13	-41.08
COC1=CC=C(CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1OC	REAL300020132868	0	49	-1.0	-43.13	387.17	3.24	-39.89
COC1=CC=C(CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1OC	REAL300020132868	1	49	-1.0	-43.13	387.23	3.25	-39.88
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC=C1N1CCOCC1	REAL300020132869	0	39	-1.0	-39.18	339.04	2.61	-36.57
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC=C1N1CCOCC1	REAL300020132869	1	39	-1.0	-39.13	339.10	2.63	-36.50
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=CC=C2)=CS1	REAL300020132870	0	32	-1.0	-39.43	294.60	4.48	-34.95
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=CC=C2)=CS1	REAL300020132870	1	32	-1.0	-39.44	294.54	4.46	-34.98
COC1=CC=CC(C(=O)N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1OC	REAL300020132871	0	48	-1.0	-46.40	384.93	4.25	-42.15
COC1=CC=CC(C(=O)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1OC	REAL300020132871	1	48	-1.0	-46.46	384.99	4.26	-42.20
CC1=C(CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)N2C=CC(C)=CC2=N1	REAL300020132872	0	50	-1.0	-44.07	395.74	5.65	-38.42
CC1=C(CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)N2C=CC(C)=CC2=N1	REAL300020132872	1	50	-1.0	-44.05	395.79	5.67	-38.38
COC1=CC=C(CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1F	REAL300020132873	0	45	-1.0	-43.79	364.16	3.41	-40.38
COC1=CC=C(CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1F	REAL300020132873	1	45	-1.0	-43.79	364.21	3.42	-40.37
CN(C)C1=CC=CC(C(=O)NNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132874	0	38	-1.0	-41.98	322.88	1.82	-40.16
CN(C)C1=CC=CC(C(=O)NNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132874	1	38	-1.0	-41.96	322.93	1.84	-40.12
CC(=O)N1CCC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020132875	0	37	-1.0	-44.50	308.43	3.47	-41.03
CC(=O)N1CCC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020132875	1	37	-1.0	-44.48	308.49	3.48	-41.00
CC1=CC=CC(NC(=O)CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1C	REAL300020132876	0	51	-1.0	-49.47	393.20	3.69	-45.78
CC1=CC=CC(NC(=O)CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1C	REAL300020132876	1	51	-1.0	-49.47	393.25	3.70	-45.77
O=C(CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1)NC1=CC=CC=C1Cl	REAL300020132877	0	45	-1.0	-44.00	377.72	3.27	-40.73
O=C(CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1)NC1=CC=CC=C1Cl	REAL300020132877	1	45	-1.0	-43.94	377.77	3.28	-40.66
CN(CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020132878	0	49	-1.0	-44.42	409.87	9.70	-34.72
CN(CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020132878	1	49	-1.0	-44.36	409.81	9.69	-34.67
CN(CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CS1)C(=O)CCC1=NN=N[N-]1	REAL300020132879	0	46	-1.0	-45.01	402.31	9.04	-35.97
CN(CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CS1)C(=O)CCC1=N[N-]N=N1	REAL300020132879	1	46	-1.0	-45.00	402.25	9.02	-35.98
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2SCCS2)=C1	REAL300020132880	0	35	-1.0	-43.66	318.66	5.57	-38.09
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2SCCS2)=C1	REAL300020132880	1	35	-1.0	-43.63	318.72	5.58	-38.05
COC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020132881	0	41	-1.0	-42.52	349.49	1.81	-40.71
COC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020132881	1	41	-1.0	-42.52	349.55	1.83	-40.69
CC(C1=CC=C(N2C=NC=N2)C=C1)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020132882	0	41	-1.0	-44.78	338.86	7.76	-37.02
CC(C1=CC=C(N2C=NC=N2)C=C1)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020132882	1	41	-1.0	-44.76	338.80	7.74	-37.02
CC1=CC(CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=NO1	REAL300020132883	0	40	-1.0	-41.50	326.51	2.19	-39.31
CC1=CC(CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=NO1	REAL300020132883	1	40	-1.0	-41.52	326.57	2.20	-39.32
COC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020132884	0	37	-1.0	-42.74	326.09	2.17	-40.57
COC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020132884	1	37	-1.0	-42.76	326.15	2.19	-40.57
CN(CC1=NC2=CC=CC=C2S1)C(=O)CCC1=N[N-]N=N1	REAL300020132885	0	34	-1.0	-42.29	307.35	4.27	-38.02
CN(CC1=NC2=CC=CC=C2S1)C(=O)CCC1=NN=N[N-]1	REAL300020132885	1	34	-1.0	-42.30	307.40	4.28	-38.02
COC1=CC=C(CN(C(=O)CCC2=N[N-]N=N2)C2CC2)C=C1	REAL300020132886	0	40	-1.0	-42.12	321.06	5.13	-36.99
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CCCCC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(C)C)C=C1	REAL300020132920	1	50	-1.0	-38.58	391.96	7.62	-30.96
CCN(CC)S(=O)(=O)C1=CC(C)=C(C)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020132921	0	49	-1.0	-46.64	402.96	3.68	-42.96
CCN(CC)S(=O)(=O)C1=CC(C)=C(C)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020132921	1	49	-1.0	-46.63	403.02	3.69	-42.94
O=C(CCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300020132922	0	32	-1.0	-38.42	309.29	4.60	-33.82
O=C(CCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300020132922	1	32	-1.0	-38.41	309.35	4.62	-33.79
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COC1=CC=C(C2CCCN2C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020132933	0	40	-1.0	-42.29	328.70	5.44	-36.85
COC1=CC=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020132933	1	40	-1.0	-42.30	328.76	5.46	-36.84
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020132934	0	42	-1.0	-44.88	343.69	5.31	-39.57
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CC1=CC(S(=O)(=O)N(C)C)=CC(NC(=O)CCC2=N[N-]N=N2)=C1C	REAL300020132935	0	43	-1.0	-46.66	362.59	1.97	-44.69
CC1=CC(S(=O)(=O)N(C)C)=CC(NC(=O)CCC2=NN=N[N-]2)=C1C	REAL300020132935	1	43	-1.0	-46.70	362.64	1.98	-44.72
CCCCC1=C(CN(C)C(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020132936	0	47	-1.0	-41.60	377.77	8.06	-33.54
CCCCC1=C(CN(C)C(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020132936	1	47	-1.0	-41.61	377.82	8.08	-33.53
NC(=O)CSC1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020132937	0	34	-1.0	-49.23	307.24	0.64	-48.59
NC(=O)CSC1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020132937	1	34	-1.0	-49.22	307.30	0.66	-48.56
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O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1OC1=CC=CC=C1Cl	REAL300020133043	1	37	-1.0	-40.61	333.21	6.05	-34.56
CC(NC(=O)CCC1=N[N-]N=N1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020133044	0	45	-1.0	-41.22	367.31	7.46	-33.76
CC(NC(=O)CCC1=NN=N[N-]1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020133044	1	45	-1.0	-41.19	367.37	7.47	-33.72
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020133045	0	39	-1.0	-40.96	314.83	0.91	-40.05
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020133045	1	39	-1.0	-40.98	314.88	0.92	-40.06
CC1=NC(C2=CC=C3C(=C2)CCN3C(=O)CCC2=NN=N[N-]2)=CS1	REAL300020133046	0	39	-1.0	-41.56	336.64	5.96	-35.60
CC1=NC(C2=CC=C3C(=C2)CCN3C(=O)CCC2=N[N-]N=N2)=CS1	REAL300020133046	1	39	-1.0	-41.59	336.58	5.95	-35.64
O=C(CCC1=N[N-]N=N1)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020133047	0	42	0.0	-64.50	339.34	5.20	-59.30
O=C(CCC1=N[N-]N=N1)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020133047	1	42	0.0	-64.61	339.09	5.16	-59.45
O=C(CCC1=NN=N[N-]1)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020133047	1	42	0.0	-64.54	339.39	5.21	-59.33
O=C(CCC1=NN=N[N-]1)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020133047	1	42	0.0	-64.61	339.15	5.18	-59.43
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020133048	0	38	-1.0	-46.65	331.95	5.30	-41.35
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020133048	1	38	-1.0	-46.68	332.00	5.31	-41.37
CN(CC1=CC=C(N2CCCC2)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020133049	0	44	-1.0	-41.35	352.29	5.31	-36.04
CN(CC1=CC=C(N2CCCC2)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020133049	1	44	-1.0	-41.33	352.34	5.32	-36.01
CC1=NC(C2=CC=C(CCNC(=O)CCC3=NN=N[N-]3)S2)=CS1	REAL300020133050	0	38	-1.0	-43.51	356.91	4.13	-39.38
CC1=NC(C2=CC=C(CCNC(=O)CCC3=N[N-]N=N3)S2)=CS1	REAL300020133050	1	38	-1.0	-43.52	356.85	4.11	-39.41
CCN(CC)C(=O)CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020133051	0	47	-1.0	-44.34	366.89	2.73	-41.61
CCN(CC)C(=O)CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020133051	1	47	-1.0	-44.36	366.95	2.74	-41.62
CN(CCOC1=CC=CC(Cl)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020133052	0	36	-1.0	-40.23	321.29	4.96	-35.27
CN(CCOC1=CC=CC(Cl)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020133052	1	36	-1.0	-40.23	321.34	4.97	-35.26
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=CSC=C2)CC1	REAL300020133053	0	38	-1.0	-39.01	318.73	3.04	-35.97
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=CSC=C2)CC1	REAL300020133053	1	38	-1.0	-39.01	318.79	3.06	-35.95
COC(=O)CNC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133054	0	39	-1.0	-43.25	342.97	1.81	-41.44
COC(=O)CNC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133054	1	39	-1.0	-43.25	343.02	1.83	-41.42
O=C(CCC1=N[N-]N=N1)OC1=CC=C(N2CCCC2=O)C=C1	REAL300020133055	0	36	-1.0	-46.06	309.22	5.99	-40.07
O=C(CCC1=NN=N[N-]1)OC1=CC=C(N2CCCC2=O)C=C1	REAL300020133055	1	36	-1.0	-46.06	309.28	6.00	-40.06
CC1OC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2NC1=O	REAL300020133056	0	35	-1.0	-42.97	302.61	0.57	-42.40
CC1OC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2NC1=O	REAL300020133056	1	35	-1.0	-42.96	302.66	0.59	-42.37
COC1=CC=C(C2CCCN2C(=O)CCC2=N[N-]N=N2)C(OC)=C1	REAL300020133057	0	44	-1.0	-43.30	354.63	4.79	-38.51
COC1=CC=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)C(OC)=C1	REAL300020133057	1	44	-1.0	-43.28	354.69	4.80	-38.48
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1N1CCCC1=O	REAL300020133058	0	37	-1.0	-47.20	315.68	4.35	-42.85
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1N1CCCC1=O	REAL300020133058	1	37	-1.0	-47.16	315.74	4.36	-42.80
CN(CC1=CC=CC=C1N1CCCC1)C(=O)CCC1=N[N-]N=N1	REAL300020133059	0	44	-1.0	-40.86	342.23	5.67	-35.19
CN(CC1=CC=CC=C1N1CCCC1)C(=O)CCC1=NN=N[N-]1	REAL300020133059	1	44	-1.0	-40.85	342.29	5.69	-35.16
CN(CC1=CC=CC=C1N1CCCCC1)C(=O)CCC1=N[N-]N=N1	REAL300020133060	0	47	-1.0	-39.63	356.11	7.69	-31.94
CN(CC1=CC=CC=C1N1CCCCC1)C(=O)CCC1=NN=N[N-]1	REAL300020133060	1	47	-1.0	-39.61	356.16	7.70	-31.91
CC1=CC=CC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020133061	0	41	-1.0	-39.38	325.21	4.44	-34.94
CC1=CC=CC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020133061	1	41	-1.0	-39.40	325.27	4.45	-34.95
O=C(CCC1=N[N-]N=N1)N1CCC2=C(C=CS2)C1C1=CC=CS1	REAL300020133062	0	37	-1.0	-39.64	329.34	6.69	-32.95
O=C(CCC1=NN=N[N-]1)N1CCC2=C(C=CS2)C1C1=CC=CS1	REAL300020133062	1	37	-1.0	-39.65	329.39	6.71	-32.94
CNC(=O)C1=CC=C(CN(C)C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133063	0	39	-1.0	-44.46	331.21	3.09	-41.37
CNC(=O)C1=CC=C(CN(C)C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133063	1	39	-1.0	-44.47	331.27	3.10	-41.37
O=C(CCC1=N[N-]N=N1)NCC1=CC=NC(OC2=CC=C(F)C=C2)=C1	REAL300020133064	0	39	-1.0	-40.97	350.74	3.11	-37.86
O=C(CCC1=NN=N[N-]1)NCC1=CC=NC(OC2=CC=C(F)C=C2)=C1	REAL300020133064	1	39	-1.0	-40.96	350.79	3.12	-37.84
CC1=NOC(C)=C1S(=O)(=O)N1CCCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020133065	0	46	-1.0	-50.58	365.94	2.10	-48.48
CC1=NOC(C)=C1S(=O)(=O)N1CCCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020133065	1	46	-1.0	-50.57	365.99	2.11	-48.46
CS(=O)(=O)C1=CC=C(NCCNC(=O)CCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020133066	0	42	-1.0	-52.88	378.85	0.05	-52.83
CS(=O)(=O)C1=CC=C(NCCNC(=O)CCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020133066	1	42	-1.0	-52.85	378.91	0.07	-52.78
CN1C=CN=C1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020133067	0	39	-1.0	-43.36	351.00	5.24	-38.12
CN1C=CN=C1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020133067	1	39	-1.0	-43.37	351.06	5.26	-38.11
CN(CC1=CN(CC2=CC=CC=C2)N=C1)C(=O)CCC1=NN=N[N-]1	REAL300020133068	0	42	-1.0	-47.00	359.98	6.50	-40.50
CN(CC1=CN(CC2=CC=CC=C2)N=C1)C(=O)CCC1=N[N-]N=N1	REAL300020133068	1	42	-1.0	-47.00	359.93	6.48	-40.52
O=C(CCC1=N[N-]N=N1)NCC1=NN=C2C=CC(C(F)(F)F)=CN21	REAL300020133069	0	34	-1.0	-43.38	317.84	3.99	-39.39
O=C(CCC1=NN=N[N-]1)NCC1=NN=C2C=CC(C(F)(F)F)=CN21	REAL300020133069	1	34	-1.0	-43.42	317.89	4.01	-39.41
CC(CNC(=O)CCC1=N[N-]N=N1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020133070	0	45	-1.0	-40.06	363.64	7.21	-32.85
CC(CNC(=O)CCC1=NN=N[N-]1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020133070	1	45	-1.0	-40.05	363.70	7.23	-32.82
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CC=C2OCCOC2=C1	REAL300020133071	0	36	-1.0	-43.28	314.85	0.59	-42.69
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=CC=C2OCCOC2=C1	REAL300020133071	1	36	-1.0	-43.28	314.91	0.61	-42.67
CN(C(=O)C1CSCN1C(=O)CCC1=N[N-]N=N1)C1CC1	REAL300020133072	0	38	-1.0	-49.03	318.47	4.20	-44.83
CN(C(=O)C1CSCN1C(=O)CCC1=NN=N[N-]1)C1CC1	REAL300020133072	1	38	-1.0	-49.04	318.53	4.21	-44.83
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020133073	0	32	-1.0	-39.00	307.03	4.51	-34.49
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300020133073	1	32	-1.0	-38.98	307.09	4.53	-34.45
COC(=O)C1=CC(C(=O)OC)=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133074	0	38	-1.0	-45.23	341.34	3.89	-41.34
COC(=O)C1=CC(C(=O)OC)=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020133074	1	38	-1.0	-45.22	341.40	3.90	-41.32
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CC(C2=CC=CC=C2)=NN1	REAL300020133075	0	37	-1.0	-41.36	331.84	1.49	-39.87
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=CC(C2=CC=CC=C2)=NN1	REAL300020133075	1	37	-1.0	-41.37	331.90	1.51	-39.86
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC(F)F)C(Cl)=C1	REAL300020133076	0	30	-1.0	-41.11	286.78	2.71	-38.40
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC(F)F)C(Cl)=C1	REAL300020133076	1	30	-1.0	-41.12	286.84	2.73	-38.39
O=C(CCC1=N[N-]N=N1)N1CSCC1C(=O)NCC1CC1	REAL300020133077	0	38	-1.0	-47.32	328.80	3.53	-43.79
O=C(CCC1=NN=N[N-]1)N1CSCC1C(=O)NCC1CC1	REAL300020133077	1	38	-1.0	-47.32	328.86	3.55	-43.77
O=C(CCC1=N[N-]N=N1)N1CCC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020133078	0	48	0.0	-67.15	383.25	8.48	-58.67
O=C(CCC1=N[N-]N=N1)N1CCC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020133078	1	48	0.0	-67.33	383.25	8.47	-58.86
O=C(CCC1=NN=N[N-]1)N1CCC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020133078	1	48	0.0	-67.16	383.31	8.50	-58.66
O=C(CCC1=NN=N[N-]1)N1CCC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020133078	1	48	0.0	-67.29	383.31	8.48	-58.81
O=C(CCC1=N[N-]N=N1)N1CCCN(CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020133078	1	47	-1.0	-41.12	376.51	5.68	-35.44
O=C(CCC1=NN=N[N-]1)N1CCCN(CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020133078	1	47	-1.0	-41.12	376.57	5.69	-35.43
COC1=CC=C(C(CNC(=O)CCC2=N[N-]N=N2)N2CCOCC2)C=C1	REAL300020133079	0	49	-1.0	-40.67	378.41	1.04	-39.63
COC1=CC=C(C(CNC(=O)CCC2=NN=N[N-]2)N2CCOCC2)C=C1	REAL300020133079	1	49	-1.0	-40.73	378.46	1.06	-39.67
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC(F)=C(Cl)C=C1Cl	REAL300020133080	0	32	-1.0	-38.40	310.88	4.56	-33.84
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC(F)=C(Cl)C=C1Cl	REAL300020133080	1	32	-1.0	-38.43	310.94	4.58	-33.85
O=C(CCC1=N[N-]N=N1)N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020133081	0	45	0.0	-60.25	344.49	7.48	-52.77
O=C(CCC1=N[N-]N=N1)N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020133081	1	45	0.0	-60.24	344.56	7.48	-52.76
O=C(CCC1=NN=N[N-]1)N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020133081	1	45	0.0	-60.28	344.55	7.49	-52.79
O=C(CCC1=NN=N[N-]1)N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020133081	1	45	0.0	-60.22	344.61	7.49	-52.73
COC1=CC=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020133082	0	38	-1.0	-43.02	329.01	0.64	-42.38
COC1=CC=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020133082	1	38	-1.0	-43.01	329.06	0.65	-42.36
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=CN3C=CSC3=N2)C=C1	REAL300020133083	0	36	-1.0	-50.86	328.00	5.94	-44.92
O=C(CCC1=N[N-]N=N1)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300020133084	0	45	0.0	-56.96	361.75	6.80	-50.16
O=C(CCC1=NN=N[N-]1)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300020133084	1	45	0.0	-56.99	361.81	6.82	-50.17
O=C(CCC1=N[N-]N=N1)NCC(C1=CC=CC=C1Cl)N1CCCC1	REAL300020133084	1	44	-1.0	-38.95	363.09	4.61	-34.34
O=C(CCC1=NN=N[N-]1)NCC(C1=CC=CC=C1Cl)N1CCCC1	REAL300020133084	1	44	-1.0	-38.95	363.15	4.63	-34.32
N#CC1=CC=C(C[N@H+]2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020133085	0	46	0.0	-71.34	365.35	7.87	-63.47
N#CC1=CC=C(C[N@@H+]2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020133085	1	46	0.0	-71.33	365.40	7.88	-63.45
N#CC1=CC=C(C[N@H+]2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020133085	1	46	0.0	-71.34	365.41	7.89	-63.45
N#CC1=CC=C(C[N@@H+]2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020133085	1	46	0.0	-71.36	365.46	7.90	-63.46
N#CC1=CC=C(CN2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020133085	1	45	-1.0	-43.42	358.58	5.07	-38.35
N#CC1=CC=C(CN2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020133085	1	45	-1.0	-43.46	358.64	5.08	-38.38
O=C(CCC1=N[N-]N=N1)N1CSCC1C(=O)N1CCCC1	REAL300020133086	0	38	-1.0	-47.16	319.16	4.34	-42.82
O=C(CCC1=NN=N[N-]1)N1CSCC1C(=O)N1CCCC1	REAL300020133086	1	38	-1.0	-47.17	319.22	4.36	-42.81
CCC(C)NC(=O)C1CSCN1C(=O)CCC1=N[N-]N=N1	REAL300020133087	0	40	-1.0	-47.69	338.10	3.82	-43.87
CCC(C)NC(=O)C1CSCN1C(=O)CCC1=NN=N[N-]1	REAL300020133087	1	40	-1.0	-47.72	338.16	3.83	-43.89
COC(=O)C1=C(C)OC(CN(C)C(=O)CCC2=N[N-]N=N2)=C1	REAL300020133088	0	38	-1.0	-44.88	331.66	4.41	-40.47
COC(=O)C1=C(C)OC(CN(C)C(=O)CCC2=NN=N[N-]2)=C1	REAL300020133088	1	38	-1.0	-44.88	331.72	4.43	-40.45
COC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020133089	0	35	-1.0	-49.45	313.71	-3.05	-52.50
COC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020133089	1	35	-1.0	-49.45	313.77	-3.03	-52.48
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020133090	0	36	-1.0	-45.36	314.02	4.39	-40.97
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020133090	1	36	-1.0	-45.37	314.08	4.40	-40.97
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CN1C2=CC=CC=C2N=C1C1CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020133198	0	42	-1.0	-49.83	347.16	5.79	-44.04
CN1C2=CC=CC=C2N=C1C1CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020133198	1	42	-1.0	-49.83	347.22	5.80	-44.03
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)N2CCCC2)CC1	REAL300020133199	0	42	-1.0	-44.01	324.38	2.96	-41.05
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)N2CCCC2)CC1	REAL300020133199	1	42	-1.0	-43.98	324.44	2.97	-41.01
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(COCC(F)(F)F)C=C1	REAL300020133200	0	39	-1.0	-42.32	354.07	3.86	-38.46
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(COCC(F)(F)F)C=C1	REAL300020133200	1	39	-1.0	-42.31	354.13	3.87	-38.44
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020133201	0	43	-1.0	-40.44	338.12	3.57	-36.87
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020133201	1	43	-1.0	-40.45	338.18	3.59	-36.86
CC(C)(C)OC(=O)NC1(CNC(=O)CCC2=N[N-]N=N2)CCCCCC1	REAL300020133202	0	55	-1.0	-42.73	402.51	4.41	-38.32
CC(C)(C)OC(=O)NC1(CNC(=O)CCC2=NN=N[N-]2)CCCCCC1	REAL300020133202	1	55	-1.0	-42.68	402.57	4.42	-38.26
COC1=CC(NC(=O)CCC2=N[N-]N=N2)=C(C(=O)N(C)C)C=C1OC	REAL300020133203	0	44	-1.0	-46.16	363.21	1.96	-44.20
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=C(C(=O)N(C)C)C=C1OC	REAL300020133203	1	44	-1.0	-46.18	363.27	1.98	-44.20
CCC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(C)C)C=C1	REAL300020133204	0	44	-1.0	-38.65	348.90	6.04	-32.61
CCC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(C)C)C=C1	REAL300020133204	1	44	-1.0	-38.65	348.96	6.06	-32.59
CC(C)C1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(C)C)C=C1	REAL300020133205	0	47	-1.0	-38.52	366.24	6.53	-31.99
CC(C)C1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(C)C)C=C1	REAL300020133205	1	47	-1.0	-38.52	366.30	6.55	-31.97
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(C)C)C=C1	REAL300020133206	0	42	-1.0	-39.74	331.74	4.25	-35.49
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(C)C)C=C1	REAL300020133206	1	42	-1.0	-39.77	331.80	4.26	-35.51
CN1C=CN=C1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020133207	0	39	-1.0	-44.34	334.26	4.72	-39.62
CN1C=CN=C1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020133207	1	39	-1.0	-44.36	334.32	4.73	-39.63
CN1C=CN=C1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020133208	0	39	-1.0	-43.76	340.67	4.79	-38.97
CN1C=CN=C1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020133208	1	39	-1.0	-43.76	340.73	4.80	-38.96
CN1C=CN=C1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020133209	0	39	-1.0	-45.73	340.67	4.79	-40.94
CN1C=CN=C1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020133209	1	39	-1.0	-45.77	340.73	4.80	-40.97
COC1=CC(OC)=CC(C(NC(=O)CCC2=N[N-]N=N2)C2=NC=CN2C)=C1	REAL300020133210	0	47	-1.0	-46.72	393.23	3.32	-43.40
COC1=CC(OC)=CC(C(NC(=O)CCC2=NN=N[N-]2)C2=NC=CN2C)=C1	REAL300020133210	1	47	-1.0	-46.76	393.29	3.33	-43.43
CC(C)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020133211	0	38	-1.0	-38.31	322.74	5.12	-33.19
CC(C)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020133211	1	38	-1.0	-38.28	322.80	5.14	-33.14
O=C(CCC1=N[N-]N=N1)NC1=CC=C(NC(=O)C2=CC=CO2)C=C1	REAL300020133212	0	37	-1.0	-44.66	327.90	2.60	-42.06
O=C(CCC1=NN=N[N-]1)NC1=CC=C(NC(=O)C2=CC=CO2)C=C1	REAL300020133212	1	37	-1.0	-44.65	327.95	2.61	-42.04
O=C(CCC1=N[N-]N=N1)N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020133213	0	42	-1.0	-43.48	340.56	5.10	-38.38
O=C(CCC1=NN=N[N-]1)N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020133213	1	42	-1.0	-43.44	340.62	5.11	-38.33
O=C(CCC1=N[N-]N=N1)NNC(=O)CC1=CC=CC2=CC=CC=C21	REAL300020133214	0	39	-1.0	-43.83	337.70	4.26	-39.57
O=C(CCC1=NN=N[N-]1)NNC(=O)CC1=CC=CC2=CC=CC=C21	REAL300020133214	1	39	-1.0	-43.82	337.76	4.28	-39.54
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020133215	0	42	-1.0	-45.17	340.20	5.07	-40.10
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020133215	1	42	-1.0	-45.21	340.26	5.08	-40.13
O=C(CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1)NCC1=CC=CC=C1	REAL300020133216	0	48	-1.0	-44.20	388.77	2.76	-41.44
O=C(CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1)NCC1=CC=CC=C1	REAL300020133216	1	48	-1.0	-44.23	388.83	2.78	-41.45
CS(=O)(=O)NC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133217	0	34	-1.0	-45.14	305.04	-0.71	-45.85
CS(=O)(=O)NC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133217	1	34	-1.0	-45.13	305.10	-0.69	-45.82
O=C(CCC1=NN=N[N-]1)NCCC1=CN(C2=CC=CC=C2)N=C1	REAL300020133218	0	39	-1.0	-45.28	337.97	4.67	-40.61
O=C(CCC1=N[N-]N=N1)NCCC1=CN(C2=CC=CC=C2)N=C1	REAL300020133218	1	39	-1.0	-45.23	337.92	4.66	-40.57
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(OCC(F)(F)F)C=C1	REAL300020133219	0	36	-1.0	-41.20	328.52	3.39	-37.81
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(OCC(F)(F)F)C=C1	REAL300020133219	1	36	-1.0	-41.20	328.57	3.40	-37.80
O=C(CCC1=N[N-]N=N1)NC1=CC=C(NC(=O)C2CC2)C=C1	REAL300020133220	0	37	-1.0	-48.15	318.76	3.06	-45.09
O=C(CCC1=NN=N[N-]1)NC1=CC=C(NC(=O)C2CC2)C=C1	REAL300020133220	1	37	-1.0	-48.11	318.82	3.07	-45.04
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)CN2CCOCC2)CC1	REAL300020133221	0	46	-1.0	-43.83	357.50	0.44	-43.39
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)CN2CCOCC2)CC1	REAL300020133221	1	46	-1.0	-43.82	357.56	0.46	-43.36
O=C(CCC1=N[N-]N=N1)NC1=CC=C(NC(=O)CN2CCOCC2)C=C1	REAL300020133222	0	46	-1.0	-45.01	375.31	0.25	-44.76
O=C(CCC1=NN=N[N-]1)NC1=CC=C(NC(=O)CN2CCOCC2)C=C1	REAL300020133222	1	46	-1.0	-45.03	375.36	0.27	-44.76
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300020133223	0	38	-1.0	-50.73	328.15	1.08	-49.65
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300020133223	1	38	-1.0	-50.76	328.20	1.10	-49.66
CS(=O)(=O)NC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133224	0	37	-1.0	-45.68	331.17	-0.59	-46.27
CS(=O)(=O)NC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020133224	1	37	-1.0	-45.68	331.23	-0.58	-46.26
CC(=O)NC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020133225	0	33	-1.0	-44.09	302.60	2.11	-41.98
CC(=O)NC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020133225	1	33	-1.0	-44.11	302.66	2.12	-41.99
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(Cl)=C1N1CCOCC1	REAL300020133226	0	39	-1.0	-38.31	326.41	2.16	-36.15
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(Cl)=C1N1CCOCC1	REAL300020133226	1	39	-1.0	-38.33	326.47	2.17	-36.16
CC1=CC=C(C2=NOC(CN3CCN(C(=O)CCC4=NN=N[N-]4)CC3)=N2)C=C1	REAL300020133227	0	49	-1.0	-44.01	402.30	3.76	-40.25
CC1=CC=C(C2=NOC(CN3CCN(C(=O)CCC4=N[N-]N=N4)CC3)=N2)C=C1	REAL300020133227	1	49	-1.0	-44.00	402.24	3.74	-40.26
COC1=CC=C(C2=NOC(CN3CCN(C(=O)CCC4=NN=N[N-]4)CC3)=N2)C=C1	REAL300020133228	0	50	-1.0	-44.15	410.34	2.39	-41.76
COC1=CC=C(C2=NOC(CN3CCN(C(=O)CCC4=N[N-]N=N4)CC3)=N2)C=C1	REAL300020133228	1	50	-1.0	-44.17	410.28	2.37	-41.80
O=C(CCC1=NN=N[N-]1)NCC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300020133229	0	49	-1.0	-44.14	415.61	8.64	-35.50
O=C(CCC1=N[N-]N=N1)NCC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300020133229	1	49	-1.0	-44.15	415.55	8.63	-35.52
CC1=CC=C(S(=O)(=O)N2CCC(NC(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020133230	0	47	-1.0	-44.79	393.83	2.66	-42.13
CC1=CC=C(S(=O)(=O)N2CCC(NC(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020133230	1	47	-1.0	-44.81	393.89	2.67	-42.14
O=C(CCC1=N[N-]N=N1)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2)C=C1	REAL300020133231	0	41	-1.0	-44.64	366.65	2.41	-42.23
O=C(CCC1=NN=N[N-]1)NC1=CC=C(S(=O)(=O)NC2=CC=CC=C2)C=C1	REAL300020133231	1	41	-1.0	-44.67	366.72	2.41	-42.26
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2=NN=NN2C2CC2)=C1	REAL300020133232	0	38	-1.0	-53.49	329.44	3.55	-49.94
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=NN=NN2C2CC2)=C1	REAL300020133232	1	38	-1.0	-53.47	329.50	3.56	-49.91
O=C(CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1)NC1=CC=CC=C1	REAL300020133233	0	45	-1.0	-45.79	363.00	2.62	-43.17
O=C(CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1)NC1=CC=CC=C1	REAL300020133233	1	45	-1.0	-45.83	363.05	2.64	-43.19
NC(=O)C1=CC=C(N2CCCC2)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133234	0	42	-1.0	-51.15	336.52	0.33	-50.82
NC(=O)C1=CC=C(N2CCCC2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020133234	1	42	-1.0	-51.14	336.58	0.34	-50.80
O=C(CCC1=N[N-]N=N1)NC1=CC=C(NC(=O)NC2CC2)C=C1	REAL300020133235	0	39	-1.0	-49.70	334.43	1.84	-47.86
O=C(CCC1=NN=N[N-]1)NC1=CC=C(NC(=O)NC2CC2)C=C1	REAL300020133235	1	39	-1.0	-49.70	334.49	1.85	-47.85
CC1=CC(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)=C(C)S1	REAL300020133236	0	35	-1.0	-38.41	325.11	5.27	-33.14
CC1=CC(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)=C(C)S1	REAL300020133236	1	35	-1.0	-38.45	325.17	5.28	-33.17
O=C(CCC1=N[N-]N=N1)NCC1CC2C3=CC=CC=C3C1C1=CC=CC=C12	REAL300020133237	0	47	-1.0	-41.44	376.40	8.15	-33.29
O=C(CCC1=NN=N[N-]1)NCC1CC2C3=CC=CC=C3C1C1=CC=CC=C12	REAL300020133237	1	47	-1.0	-41.42	376.46	8.16	-33.26
CCN(CC1=CC=C2OCOC2=C1)C(=O)CCC1=N[N-]N=N1	REAL300020133238	0	38	-1.0	-45.94	320.76	4.38	-41.56
CCN(CC1=CC=C2OCOC2=C1)C(=O)CCC1=NN=N[N-]1	REAL300020133238	1	38	-1.0	-45.96	320.81	4.40	-41.56
CC[NH+](CC)C(CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020133239	0	47	0.0	-58.19	348.99	6.09	-52.10
CC[NH+](CC)C(CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020133239	1	47	0.0	-58.19	349.04	6.11	-52.08
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300020133240	0	40	-1.0	-43.40	327.43	3.59	-39.81
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300020133240	1	40	-1.0	-43.42	327.48	3.60	-39.82
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1SC1=CC=CC=C1	REAL300020133241	0	37	-1.0	-39.76	328.81	6.69	-33.07
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1SC1=CC=CC=C1	REAL300020133241	1	37	-1.0	-39.79	328.86	6.70	-33.09
CN(CC1=CC=CC=C1OC(F)(F)F)C(=O)CCC1=N[N-]N=N1	REAL300020133242	0	36	-1.0	-43.89	313.79	5.92	-37.97
CN(CC1=CC=CC=C1OC(F)(F)F)C(=O)CCC1=NN=N[N-]1	REAL300020133242	1	36	-1.0	-43.88	313.85	5.94	-37.94
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1N1CCCCCC1	REAL300020133243	0	44	-1.0	-38.81	334.56	4.68	-34.13
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1N1CCCCCC1	REAL300020133243	1	44	-1.0	-38.78	334.61	4.69	-34.09
CC(C)NC(=O)NC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133244	0	41	-1.0	-50.00	344.94	1.77	-48.23
CC(C)NC(=O)NC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133244	1	41	-1.0	-50.03	345.00	1.79	-48.24
COCCNC(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020133245	0	43	-1.0	-45.89	348.01	0.92	-44.97
COCCNC(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020133245	1	43	-1.0	-45.84	348.07	0.94	-44.90
O=C(CCC1=N[N-]N=N1)NCC#CC1=CC=CC(C(F)(F)F)=C1	REAL300020133246	0	34	-1.0	-40.12	323.95	5.17	-34.95
O=C(CCC1=NN=N[N-]1)NCC#CC1=CC=CC(C(F)(F)F)=C1	REAL300020133246	1	34	-1.0	-40.14	324.01	5.19	-34.95
O=C(CCC1=N[N-]N=N1)NC1=CC=C(NC(=O)NC2=CC=CC=C2)C=C1	REAL300020133247	0	42	-1.0	-46.08	358.23	3.81	-42.27
O=C(CCC1=NN=N[N-]1)NC1=CC=C(NC(=O)NC2=CC=CC=C2)C=C1	REAL300020133247	1	42	-1.0	-46.06	358.29	3.82	-42.24
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=CN3C=CC=CC3=N2)C=C1	REAL300020133248	0	39	-1.0	-51.02	337.57	6.73	-44.29
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=CN3C=CC=CC3=N2)C=C1	REAL300020133248	1	39	-1.0	-51.03	337.63	6.74	-44.29
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=NN=C3CCCCCN32)C1	REAL300020133249	0	48	-1.0	-45.10	366.36	6.47	-38.63
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=NN=C3CCCCCN32)C1	REAL300020133249	1	48	-1.0	-45.08	366.41	6.48	-38.60
COC(=O)C1=CC=CC(C#CC2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)=C1	REAL300020133250	0	44	-1.0	-47.38	395.44	8.42	-38.96
COC(=O)C1=CC=CC(C#CC2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)=C1	REAL300020133250	1	44	-1.0	-47.34	395.50	8.43	-38.91
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CC(C1=CC=C(Cl)C(Cl)=C1)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020133600	1	35	-1.0	-41.39	319.04	6.72	-34.67
CC(C1=CC=C(C(F)(F)F)C=C1)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020133601	0	38	-1.0	-40.10	323.12	5.99	-34.11
CC(C1=CC=C(C(F)(F)F)C=C1)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020133601	1	38	-1.0	-40.10	323.18	6.01	-34.09
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CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133604	1	52	-1.0	-41.55	416.93	7.26	-34.29
CC(C1=CC=CC(C(F)(F)F)=C1)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020133605	0	38	-1.0	-40.75	324.84	6.23	-34.52
CC(C1=CC=CC(C(F)(F)F)=C1)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020133605	1	38	-1.0	-40.78	324.90	6.25	-34.53
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CC1CCC[N@H+](CC2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)C1	REAL300020133756	1	51	0.0	-64.71	398.47	7.07	-57.64
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)C1	REAL300020133756	1	51	0.0	-64.78	398.41	7.07	-57.71
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020133757	0	51	0.0	-55.14	392.04	7.29	-47.85
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020133757	1	51	0.0	-54.01	387.93	7.90	-46.11
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020133757	1	51	0.0	-55.19	392.10	7.30	-47.89
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020133757	1	51	0.0	-54.05	387.99	7.92	-46.13
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020133758	0	51	0.0	-53.14	381.21	6.87	-46.27
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020133758	1	51	0.0	-52.28	383.17	7.76	-44.52
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020133758	1	51	0.0	-53.14	381.27	6.88	-46.26
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020133758	1	51	0.0	-52.27	383.22	7.77	-44.50
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COC(=O)CNS(=O)(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133761	0	40	-1.0	-47.52	362.84	-0.30	-47.82
COC(=O)CNS(=O)(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020133761	1	40	-1.0	-47.51	362.89	-0.28	-47.79
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CCC(C)NC(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133870	0	45	-1.0	-44.15	376.80	3.59	-40.56
CCC(C)NC(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133870	1	45	-1.0	-44.15	376.86	3.60	-40.55
CCCOC1=CC=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020133871	0	46	-1.0	-41.89	377.17	4.45	-37.44
CCCOC1=CC=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020133871	1	46	-1.0	-41.91	377.23	4.46	-37.45
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020133872	0	40	-1.0	-51.87	337.34	3.41	-48.46
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020133872	1	40	-1.0	-51.90	337.40	3.42	-48.48
CCCCCOC1=CC=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020133873	0	52	-1.0	-41.63	420.17	6.01	-35.62
CCCCCOC1=CC=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020133873	1	52	-1.0	-41.62	420.23	6.02	-35.60
NS(=O)(=O)NCC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020133874	0	39	-1.0	-48.75	325.79	-3.00	-51.75
NS(=O)(=O)NCC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020133874	1	39	-1.0	-48.74	325.84	-2.98	-51.72
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O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=C(F)C=C2)CCCC1	REAL300020133875	1	42	-1.0	-39.65	337.03	6.39	-33.26
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2)C1	REAL300020133876	0	54	0.0	-65.13	419.19	7.65	-57.48
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)C1	REAL300020133876	1	54	0.0	-65.10	419.25	7.66	-57.44
CCOC(=O)NC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133877	0	37	-1.0	-46.46	320.66	1.72	-44.74
CCOC(=O)NC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133877	1	37	-1.0	-46.46	320.71	1.74	-44.72
CC1=CC=C(CNC(=O)C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1F	REAL300020133878	0	49	-1.0	-45.63	401.09	5.56	-40.07
CC1=CC=C(CNC(=O)C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1F	REAL300020133878	1	49	-1.0	-45.67	401.15	5.58	-40.09
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300020133879	0	40	-1.0	-43.18	332.02	4.44	-38.74
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300020133879	1	40	-1.0	-43.17	332.08	4.46	-38.71
CC[NH+](CC)CCNC(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133880	0	51	0.0	-75.11	398.71	4.06	-71.05
CC[NH+](CC)CCNC(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020133880	1	51	0.0	-75.07	398.77	4.07	-71.00
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C(=O)NCC2=CC=CC=N2)=C1	REAL300020133881	0	42	-1.0	-53.07	364.60	2.86	-50.21
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C(=O)NCC2=CC=CC=N2)=C1	REAL300020133881	1	42	-1.0	-52.98	364.66	2.87	-50.11
COC(=O)C1=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2O1	REAL300020133882	0	35	-1.0	-43.58	315.78	3.75	-39.83
COC(=O)C1=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2O1	REAL300020133882	1	35	-1.0	-43.59	315.84	3.76	-39.83
CS(=O)(=O)NC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133883	0	37	-1.0	-46.45	331.17	-0.59	-47.04
CS(=O)(=O)NC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133883	1	37	-1.0	-46.44	331.23	-0.58	-47.02
CCCC(=O)NC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133884	0	42	-1.0	-43.45	355.49	3.18	-40.27
CCCC(=O)NC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020133884	1	42	-1.0	-43.46	355.55	3.19	-40.27
CC1CC(C)C[NH+](CCCCNC(=O)CCC2=N[N-]N=N2)C1	REAL300020133885	0	50	0.0	-63.22	381.93	5.59	-57.63
CC1CC(C)C[NH+](CCCCNC(=O)CCC2=NN=N[N-]2)C1	REAL300020133885	1	50	0.0	-63.22	381.98	5.60	-57.62
CCN1C=NN=C1C1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020133886	0	38	-1.0	-50.01	324.95	6.14	-43.87
CCN1C=NN=C1C1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020133886	1	38	-1.0	-50.00	325.00	6.15	-43.85
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O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=NNC3=C2CCCC3)=C1	REAL300020133887	1	43	-1.0	-48.71	353.15	4.89	-43.82
CC1=CC2=C(CC(C)(C)CC2NC(=O)CCC2=N[N-]N=N2)O1	REAL300020133888	0	42	-1.0	-42.62	333.62	4.29	-38.33
CC1=CC2=C(CC(C)(C)CC2NC(=O)CCC2=NN=N[N-]2)O1	REAL300020133888	1	42	-1.0	-42.64	333.67	4.31	-38.33
CCNC(=O)C1=CC=C(C)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133889	0	39	-1.0	-51.70	328.23	2.60	-49.10
CCNC(=O)C1=CC=C(C)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020133889	1	39	-1.0	-51.71	328.29	2.62	-49.09
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(N2CCNC2=O)=C1	REAL300020133890	0	36	-1.0	-49.28	304.04	1.31	-47.97
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(N2CCNC2=O)=C1	REAL300020133890	1	36	-1.0	-49.31	304.10	1.32	-47.99
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(N2CCCCC2)N=C1	REAL300020133891	0	43	-1.0	-40.31	348.27	3.36	-36.95
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(N2CCCCC2)N=C1	REAL300020133891	1	43	-1.0	-40.34	348.33	3.38	-36.96
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300020133891	1	44	0.0	-55.70	348.88	3.50	-52.20
CC(C)OC1=CC=CC=C1C(C)NC(=O)CCC1=N[N-]N=N1	REAL300020133892	0	42	-1.0	-41.67	342.13	4.48	-37.19
CC(C)OC1=CC=CC=C1C(C)NC(=O)CCC1=NN=N[N-]1	REAL300020133892	1	42	-1.0	-41.69	342.19	4.49	-37.20
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)C2=CC(F)=CC=C2F)CC1	REAL300020133893	0	41	-1.0	-47.09	345.92	6.34	-40.75
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)C2=CC(F)=CC=C2F)CC1	REAL300020133893	1	41	-1.0	-47.11	345.98	6.36	-40.75
CC(C)(C)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020133894	0	41	-1.0	-38.67	325.06	5.25	-33.42
CC(C)(C)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020133894	1	41	-1.0	-38.66	325.12	5.26	-33.40
O=C(CCC1=N[N-]N=N1)NC1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300020133895	0	39	-1.0	-49.50	343.61	5.20	-44.30
O=C(CCC1=NN=N[N-]1)NC1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300020133895	1	39	-1.0	-49.45	343.67	5.21	-44.24
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=NC=C3CCCCN32)C=C1	REAL300020133896	0	43	-1.0	-43.27	349.13	6.05	-37.22
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=NC=C3CCCCN32)C=C1	REAL300020133896	1	43	-1.0	-43.25	349.19	6.07	-37.18
CC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020133897	0	43	-1.0	-44.64	361.00	5.43	-39.21
CC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020133897	1	43	-1.0	-44.66	361.06	5.44	-39.22
CC1=CC=C(C(=O)NCC(F)(F)F)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020133898	0	39	-1.0	-48.16	347.52	3.05	-45.11
CC1=CC=C(C(=O)NCC(F)(F)F)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020133898	1	39	-1.0	-48.14	347.58	3.06	-45.08
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1OCC(N)=O	REAL300020133899	0	38	-1.0	-50.21	329.10	-0.27	-50.48
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1OCC(N)=O	REAL300020133899	1	38	-1.0	-50.23	329.16	-0.26	-50.49
CCNC(=O)C1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133900	0	39	-1.0	-46.88	335.55	1.81	-45.07
CCNC(=O)C1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020133900	1	39	-1.0	-46.88	335.61	1.83	-45.05
O=C(CCC1=N[N-]N=N1)NCCNC(=O)C1=CC=CC=C1C(F)(F)F	REAL300020133901	0	39	-1.0	-48.02	344.33	2.18	-45.84
O=C(CCC1=NN=N[N-]1)NCCNC(=O)C1=CC=CC=C1C(F)(F)F	REAL300020133901	1	39	-1.0	-48.01	344.39	2.20	-45.81
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2=CC=CC(F)=C2)N=C1	REAL300020133902	0	36	-1.0	-41.75	324.25	3.07	-38.68
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2=CC=CC(F)=C2)N=C1	REAL300020133902	1	36	-1.0	-41.72	324.20	3.05	-38.67
O=C(CCC1=N[N-]N=N1)NCCS(=O)(=O)NCC1=CC=CC=C1	REAL300020133903	0	40	-1.0	-49.16	357.59	-0.24	-49.40
O=C(CCC1=NN=N[N-]1)NCCS(=O)(=O)NCC1=CC=CC=C1	REAL300020133903	1	40	-1.0	-49.18	357.65	-0.23	-49.41
COC(=O)CNC(=O)CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133904	0	42	-1.0	-46.83	367.42	2.50	-44.33
COC(=O)CNC(=O)CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133904	1	42	-1.0	-46.84	367.48	2.52	-44.32
COC1=CC=C(OC(F)F)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133905	0	34	-1.0	-43.31	298.73	1.56	-41.75
COC1=CC=C(OC(F)F)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020133905	1	34	-1.0	-43.31	298.79	1.57	-41.74
O=C(CCC1=N[N-]N=N1)N1CCC(C[NH+]2CCOCC2)CC1	REAL300020133906	0	46	0.0	-67.23	343.62	4.24	-62.99
O=C(CCC1=NN=N[N-]1)N1CCC(C[NH+]2CCOCC2)CC1	REAL300020133906	1	46	0.0	-67.21	343.67	4.26	-62.95
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300020133907	0	35	-1.0	-43.14	312.86	1.11	-42.03
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300020133907	1	35	-1.0	-43.14	312.80	1.09	-42.05
COC1=CC(C(C)NC(=O)CCC2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020133908	0	44	-1.0	-42.55	366.96	2.68	-39.87
COC1=CC(C(C)NC(=O)CCC2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020133908	1	44	-1.0	-42.52	367.01	2.69	-39.83
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1NC(=O)C1=CC=CC(F)=C1	REAL300020133909	0	44	-1.0	-47.95	378.55	4.07	-43.88
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1NC(=O)C1=CC=CC(F)=C1	REAL300020133909	1	44	-1.0	-47.93	378.61	4.08	-43.85
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300020133910	0	42	-1.0	-42.34	361.62	4.28	-38.06
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300020133910	1	42	-1.0	-42.32	361.68	4.30	-38.02
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(OCC(F)(F)F)=C1	REAL300020133911	0	36	-1.0	-42.33	328.52	3.39	-38.94
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(OCC(F)(F)F)=C1	REAL300020133911	1	36	-1.0	-42.36	328.57	3.40	-38.96
CC1=CC=C(CNC(=O)C2=CC=CC(CNC(=O)CCC3=N[N-]N=N3)=C2)C=C1	REAL300020133912	0	49	-1.0	-45.94	416.87	5.50	-40.44
CC1=CC=C(CNC(=O)C2=CC=CC(CNC(=O)CCC3=NN=N[N-]3)=C2)C=C1	REAL300020133912	1	49	-1.0	-45.93	416.92	5.51	-40.42
CCCC(=O)NC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133913	0	42	-1.0	-45.14	355.76	3.17	-41.97
CCCC(=O)NC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133913	1	42	-1.0	-45.14	355.81	3.18	-41.96
O=C(CCC1=N[N-]N=N1)N1CC=C(C2=CNC3=CC(F)=CC=C23)CC1	REAL300020133914	0	41	-1.0	-43.48	347.45	6.57	-36.91
O=C(CCC1=NN=N[N-]1)N1CC=C(C2=CNC3=CC(F)=CC=C23)CC1	REAL300020133914	1	41	-1.0	-43.51	347.50	6.58	-36.93
CC(C)(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020133915	0	38	-1.0	-39.42	328.57	5.15	-34.27
CC(C)(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020133915	1	38	-1.0	-39.41	328.62	5.16	-34.25
COC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1OCC(=O)N(C)C	REAL300020133916	0	47	-1.0	-51.19	394.21	3.28	-47.91
COC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1OCC(=O)N(C)C	REAL300020133916	1	47	-1.0	-51.22	394.27	3.29	-47.93
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CC1CN(C(CNC(=O)CCC2=NN=N[N-]2)C2=C(F)C=CC=C2Cl)CCO1	REAL300020133918	1	48	-1.0	-42.25	395.94	3.81	-38.44
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133919	0	37	-1.0	-47.51	325.91	-0.41	-47.92
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020133919	1	37	-1.0	-47.53	325.97	-0.40	-47.93
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(NC(=O)NC2CC2)C=C1	REAL300020133920	0	45	-1.0	-45.64	377.93	2.76	-42.88
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(NC(=O)NC2CC2)C=C1	REAL300020133920	1	45	-1.0	-45.60	377.99	2.78	-42.82
O=C(CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1)N1CCCC1	REAL300020133921	0	46	-1.0	-44.84	357.28	4.96	-39.88
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CC1=CC=C(C2=NNC(C(=O)NNC(=O)CCC3=N[N-]N=N3)=C2)C=C1	REAL300020133923	0	40	-1.0	-41.26	353.24	2.17	-39.09
CC1=CC=C(C2=NNC(C(=O)NNC(=O)CCC3=NN=N[N-]3)=C2)C=C1	REAL300020133923	1	40	-1.0	-41.25	353.30	2.18	-39.07
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CCN(CCNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1C	REAL300020133925	1	43	-1.0	-39.48	348.36	4.12	-35.36
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CCC(=O)NC1=CC=C(C)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133927	0	39	-1.0	-42.73	326.70	3.19	-39.54
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CC1=CC=C(C(=O)NC2=CC=CC=C2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020133928	1	43	-1.0	-53.18	361.10	5.45	-47.73
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COCCOC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020133930	0	39	-1.0	-42.15	340.17	-0.39	-42.54
COCCOC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020133930	1	39	-1.0	-42.14	340.11	-0.41	-42.55
CCOC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020133931	0	40	-1.0	-41.75	338.19	2.81	-38.94
CCOC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020133931	1	40	-1.0	-41.79	338.24	2.83	-38.96
COC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1OCCC(C)C	REAL300020133932	0	49	-1.0	-41.28	398.75	4.92	-36.36
COC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1OCCC(C)C	REAL300020133932	1	49	-1.0	-41.26	398.81	4.93	-36.33
CCNC(=O)COC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020133933	0	47	-1.0	-50.72	398.33	2.14	-48.58
CCNC(=O)COC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020133933	1	47	-1.0	-50.71	398.39	2.15	-48.56
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CC(C)OC1=CC=CC(C(C)NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133937	0	42	-1.0	-39.91	344.34	4.38	-35.53
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COC1=CC(C(C)NC(=O)CCC2=NN=N[N-]2)=CC=C1OC1CCCC1	REAL300020133938	1	50	-1.0	-41.85	398.50	5.62	-36.23
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020133939	0	39	-1.0	-52.81	319.85	3.23	-49.58
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020133939	1	39	-1.0	-52.81	319.91	3.24	-49.57
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020133940	0	40	-1.0	-42.63	336.20	3.91	-38.72
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020133940	1	40	-1.0	-42.65	336.25	3.92	-38.73
NC(=O)CNC(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133941	0	40	-1.0	-46.30	351.09	-2.00	-48.30
NC(=O)CNC(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133941	1	40	-1.0	-46.28	351.15	-1.99	-48.27
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COCCOC1=CC=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020133943	0	47	-1.0	-44.29	389.30	2.94	-41.35
COCCOC1=CC=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020133943	1	47	-1.0	-44.27	389.36	2.96	-41.31
CCC(=O)NC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020133944	0	39	-1.0	-43.70	333.99	2.41	-41.29
CCC(=O)NC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020133944	1	39	-1.0	-43.76	334.05	2.43	-41.33
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O=C(CCC1=NN=N[N-]1)NC1=CC=C(CN2CCCC2=O)C=C1	REAL300020133945	1	40	-1.0	-44.58	339.00	4.36	-40.22
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300020133946	0	37	-2.0	-92.24	353.76	1.72	-90.52
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300020133946	1	37	-2.0	-92.24	353.82	1.73	-90.51
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C(NS(=O)(=O)C2=CC=CS2)=C1	REAL300020133946	1	38	-1.0	-42.08	359.97	1.61	-40.47
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C(NS(=O)(=O)C2=CC=CS2)=C1	REAL300020133946	1	38	-1.0	-42.12	360.03	1.62	-40.50
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O=C(CCC1=NN=N[N-]1)N1CCCC(C(=O)NCC2CC2)C1	REAL300020133947	1	43	-1.0	-40.17	346.40	3.39	-36.78
CCCCOC1=CC=C(CCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133948	0	45	-1.0	-41.27	373.44	5.27	-36.00
CCCCOC1=CC=C(CCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133948	1	45	-1.0	-41.25	373.50	5.29	-35.96
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1OCC(=O)NC1CC1	REAL300020133949	0	45	-1.0	-49.39	382.36	2.88	-46.51
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1OCC(=O)NC1CC1	REAL300020133949	1	45	-1.0	-49.35	382.41	2.90	-46.45
O=C(CCC1=N[N-]N=N1)OC1=CC=C(NC(=O)C2CC2)C=C1	REAL300020133950	0	36	-1.0	-43.84	318.46	5.36	-38.48
O=C(CCC1=NN=N[N-]1)OC1=CC=C(NC(=O)C2CC2)C=C1	REAL300020133950	1	36	-1.0	-43.83	318.51	5.37	-38.46
COC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1OCC(F)(F)F	REAL300020133951	0	40	-1.0	-43.31	357.76	3.28	-40.03
COC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1OCC(F)(F)F	REAL300020133951	1	40	-1.0	-43.31	357.82	3.29	-40.02
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2=NC=C(Cl)C=C2Cl)C=C1	REAL300020133952	0	36	-1.0	-41.11	350.61	4.08	-37.03
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2=NC=C(Cl)C=C2Cl)C=C1	REAL300020133952	1	36	-1.0	-41.13	350.56	4.07	-37.06
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CS1)C1=CC=C(Cl)C=C1	REAL300020133953	0	36	-1.0	-39.37	341.58	6.22	-33.15
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CS1)C1=CC=C(Cl)C=C1	REAL300020133953	1	36	-1.0	-39.33	341.64	6.23	-33.10
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(NC(=O)C2=CC=CC=C2)=C1	REAL300020133954	0	40	-1.0	-47.73	343.32	4.59	-43.14
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(NC(=O)C2=CC=CC=C2)=C1	REAL300020133954	1	40	-1.0	-47.81	343.37	4.61	-43.20
COC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1OCC(N)=O	REAL300020133955	0	41	-1.0	-51.19	354.92	-0.14	-51.33
COC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1OCC(N)=O	REAL300020133955	1	41	-1.0	-51.25	354.98	-0.13	-51.38
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020133956	0	54	-1.0	-43.10	419.21	2.10	-41.00
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020133956	1	54	-1.0	-43.13	419.27	2.11	-41.02
CC1=CC=CN2C=C(C3=CC=C(NC(=O)CCC4=N[N-]N=N4)C=C3)N=C12	REAL300020133957	0	42	-1.0	-50.78	359.01	7.32	-43.46
CC1=CC=CN2C=C(C3=CC=C(NC(=O)CCC4=NN=N[N-]4)C=C3)N=C12	REAL300020133957	1	42	-1.0	-50.86	359.06	7.34	-43.52
O=C(CCC1=N[N-]N=N1)NCC1=NN=C2C(Cl)=CC(C(F)(F)F)=CN12	REAL300020133958	0	34	-1.0	-42.35	334.61	4.46	-37.89
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CC1CN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2F)CC(C)O1	REAL300020133962	0	45	-1.0	-41.73	363.67	3.40	-38.33
CC1CN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2F)CC(C)O1	REAL300020133962	1	45	-1.0	-41.68	363.73	3.42	-38.26
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133963	0	48	0.0	-61.37	368.41	6.82	-54.55
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020133963	1	48	0.0	-60.71	368.08	6.82	-53.89
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133963	1	48	0.0	-61.37	368.47	6.83	-54.54
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020133963	1	48	0.0	-60.77	368.14	6.84	-53.93
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC=C1OCC(=O)NCC1CCCO1	REAL300020133964	0	51	-1.0	-53.02	425.09	2.69	-50.33
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC=C1OCC(=O)NCC1CCCO1	REAL300020133964	1	51	-1.0	-53.03	425.14	2.70	-50.33
O=C(CCC1=N[N-]N=N1)NC(CN1C=NC2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300020133965	0	45	-1.0	-47.46	385.93	8.62	-38.84
O=C(CCC1=NN=N[N-]1)NC(CN1C=NC2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300020133965	1	45	-1.0	-47.49	385.99	8.64	-38.85
O=C(CCC1=NN=N[N-]1)NC1=CC(F)=CC=C1NC(=O)C1=CC=CC=N1	REAL300020133966	0	39	-1.0	-42.47	345.45	3.28	-39.19
O=C(CCC1=N[N-]N=N1)NC1=CC(F)=CC=C1NC(=O)C1=CC=CC=N1	REAL300020133966	1	39	-1.0	-42.48	345.39	3.26	-39.22
CC(C)(C)OC(=O)NC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020133967	0	46	-1.0	-41.69	360.97	2.63	-39.06
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CN1CCCC1=NS(=O)(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134020	1	44	-1.0	-49.13	370.13	2.69	-46.44
O=C(CCC1=N[N-]N=N1)N1CCN(C2=NS(=O)(=O)C3=CC=CC=C32)CC1	REAL300020134021	0	42	-1.0	-51.82	353.31	2.04	-49.78
O=C(CCC1=NN=N[N-]1)N1CCN(C2=NS(=O)(=O)C3=CC=CC=C32)CC1	REAL300020134021	1	42	-1.0	-51.82	353.36	2.06	-49.76
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(N2CCSCC2)C=C1	REAL300020134022	0	42	-1.0	-39.65	351.67	3.85	-35.80
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(N2CCSCC2)C=C1	REAL300020134022	1	42	-1.0	-39.68	351.73	3.86	-35.82
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300020134023	0	39	-1.0	-42.79	354.10	4.61	-38.18
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300020134023	1	39	-1.0	-42.80	354.15	4.62	-38.18
CCCOCC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020134024	0	42	-1.0	-38.97	350.68	4.33	-34.64
CCCOCC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020134024	1	42	-1.0	-38.96	350.74	4.35	-34.61
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC2CCCO2)C=C1	REAL300020134025	0	41	-1.0	-43.59	339.83	3.18	-40.41
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC2CCCO2)C=C1	REAL300020134025	1	41	-1.0	-43.61	339.89	3.19	-40.42
CC[NH+](CC)CC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020134026	0	47	0.0	-61.80	365.85	5.62	-56.18
CC[NH+](CC)CC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134026	1	47	0.0	-61.83	365.90	5.64	-56.19
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)NCC2=CC=C(F)C=C2)CC1	REAL300020134027	0	46	-1.0	-45.87	380.79	4.92	-40.95
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)NCC2=CC=C(F)C=C2)CC1	REAL300020134027	1	46	-1.0	-45.88	380.85	4.93	-40.95
O=C(CCC1=N[N-]N=N1)N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020134028	0	42	-1.0	-42.04	339.88	7.11	-34.93
O=C(CCC1=NN=N[N-]1)N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020134028	1	42	-1.0	-42.01	339.94	7.12	-34.89
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300020134029	0	39	-1.0	-46.24	337.93	4.09	-42.15
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300020134029	1	39	-1.0	-46.25	337.87	4.07	-42.18
CC(C)C1=NC=CN1CC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020134030	0	45	-1.0	-45.82	372.46	6.53	-39.29
CC(C)C1=NC=CN1CC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134030	1	45	-1.0	-45.81	372.52	6.54	-39.27
C[N@@H+]1CCCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020134031	0	47	0.0	-67.11	354.59	4.60	-62.51
C[N@H+]1CCCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020134031	1	47	0.0	-63.75	361.26	4.53	-59.22
C[N@@H+]1CCCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020134031	1	47	0.0	-67.08	354.65	4.61	-62.47
C[N@H+]1CCCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020134031	1	47	0.0	-63.75	361.31	4.54	-59.21
CC1=CC=C(S(=O)(=O)N(C)C(C)C)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020134032	0	46	-1.0	-46.89	383.24	2.80	-44.09
CC1=CC=C(S(=O)(=O)N(C)C(C)C)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020134032	1	46	-1.0	-46.90	383.30	2.81	-44.09
O=C(CCC1=N[N-]N=N1)NCCOC1=CC=C(C(F)(F)F)C=C1	REAL300020134033	0	36	-1.0	-41.23	326.21	3.31	-37.92
O=C(CCC1=NN=N[N-]1)NCCOC1=CC=C(C(F)(F)F)C=C1	REAL300020134033	1	36	-1.0	-41.23	326.27	3.33	-37.90
COC1=CC=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020134034	0	40	-1.0	-42.30	333.82	2.73	-39.57
COC1=CC=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020134034	1	40	-1.0	-42.29	333.88	2.74	-39.55
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020134035	0	48	0.0	-64.94	371.33	6.42	-58.52
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020134035	1	48	0.0	-64.95	371.39	6.44	-58.51
CCCOC1=CC=C(OC2=NC=CC=C2CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134036	0	49	-1.0	-44.21	416.01	4.09	-40.12
CCCOC1=CC=C(OC2=NC=CC=C2CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134036	1	49	-1.0	-44.23	415.96	4.08	-40.15
O=C(CCC1=N[N-]N=N1)NCCC1=CSC2=CC=CC=C12	REAL300020134037	0	35	-1.0	-41.67	315.43	4.81	-36.86
O=C(CCC1=NN=N[N-]1)NCCC1=CSC2=CC=CC=C12	REAL300020134037	1	35	-1.0	-41.69	315.49	4.83	-36.86
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(N2CCOCC2)C=C1C(F)(F)F	REAL300020134038	0	45	-1.0	-42.04	371.72	2.93	-39.11
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(N2CCOCC2)C=C1C(F)(F)F	REAL300020134038	1	45	-1.0	-42.06	371.77	2.94	-39.12
CN1C=CN=C1COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134039	0	40	-1.0	-47.34	343.30	4.27	-43.07
CN1C=CN=C1COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134039	1	40	-1.0	-47.34	343.36	4.28	-43.06
O=C(CCC1=N[N-]N=N1)N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020134040	0	40	-1.0	-39.61	327.90	6.95	-32.66
O=C(CCC1=NN=N[N-]1)N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020134040	1	40	-1.0	-39.64	327.95	6.96	-32.68
CC1CN(CC2=CC=CC=C2NC(=O)CCC2=N[N-]N=N2)CC(C)O1	REAL300020134041	0	48	-1.0	-40.73	380.47	3.33	-37.40
CC1CN(CC2=CC=CC=C2NC(=O)CCC2=NN=N[N-]2)CC(C)O1	REAL300020134041	1	48	-1.0	-40.79	380.53	3.35	-37.44
NC(=O)C1CC[NH+](CC2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)CC1	REAL300020134042	0	49	0.0	-79.11	387.62	3.01	-76.10
NC(=O)C1CC[NH+](CC2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)CC1	REAL300020134042	1	49	0.0	-79.13	387.68	3.02	-76.11
N#CCC1=CC=C(OCC2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)C=C1	REAL300020134043	0	44	-1.0	-46.97	385.02	7.03	-39.94
N#CCC1=CC=C(OCC2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)C=C1	REAL300020134043	1	44	-1.0	-46.97	385.08	7.05	-39.92
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020134044	0	45	0.0	-68.64	373.51	7.42	-61.22
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020134044	1	45	0.0	-68.61	373.57	7.44	-61.17
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020134045	0	51	0.0	-56.13	396.14	5.49	-50.64
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020134045	1	51	0.0	-56.16	396.19	5.50	-50.66
CCOCCCNC(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020134046	0	46	-1.0	-51.62	386.49	2.50	-49.12
CCOCCCNC(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134046	1	46	-1.0	-51.61	386.55	2.52	-49.09
CC(C)(C)OC(=O)NC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1F	REAL300020134047	0	43	-1.0	-40.54	359.23	2.94	-37.60
CC(C)(C)OC(=O)NC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1F	REAL300020134047	1	43	-1.0	-40.51	359.29	2.95	-37.56
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020134048	0	43	-1.0	-42.25	346.06	6.39	-35.86
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020134048	1	43	-1.0	-42.24	346.11	6.40	-35.84
O=C(CCC1=N[N-]N=N1)N1CCC(C2=NC3=CC(Cl)=CC=C3O2)CC1	REAL300020134049	0	41	-1.0	-42.52	355.15	3.89	-38.63
O=C(CCC1=NN=N[N-]1)N1CCC(C2=NC3=CC(Cl)=CC=C3O2)CC1	REAL300020134049	1	41	-1.0	-42.49	355.21	3.91	-38.58
CN(CCCC1=CC(C2=CC=C(F)C=C2)=NN1)C(=O)CCC1=N[N-]N=N1	REAL300020134050	0	45	-1.0	-44.63	384.22	6.32	-38.31
CN(CCCC1=CC(C2=CC=C(F)C=C2)=NN1)C(=O)CCC1=NN=N[N-]1	REAL300020134050	1	45	-1.0	-44.65	384.27	6.33	-38.32
CN1CCCC1=NS(=O)(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134051	0	44	-1.0	-50.26	369.75	2.68	-47.58
CN1CCCC1=NS(=O)(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134051	1	44	-1.0	-50.23	369.81	2.70	-47.53
COCCOC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020134052	0	40	-1.0	-42.67	342.57	2.19	-40.48
COCCOC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134052	1	40	-1.0	-42.68	342.63	2.21	-40.47
CCN1C2=C(C=CC=C2)C2=C1C=CC(CN(C)C(=O)CCC1=N[N-]N=N1)=C2	REAL300020134053	0	48	-1.0	-44.04	396.35	9.54	-34.50
CCN1C2=C(C=CC=C2)C2=C1C=CC(CN(C)C(=O)CCC1=NN=N[N-]1)=C2	REAL300020134053	1	48	-1.0	-44.07	396.41	9.56	-34.51
CC(C)NC(=O)C(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020134054	0	43	-1.0	-40.70	347.46	0.76	-39.94
CC(C)NC(=O)C(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020134054	1	43	-1.0	-40.69	347.52	0.77	-39.92
O=C(CCC1=N[N-]N=N1)NCCCN1N=C2CCCCN2C1=O	REAL300020134055	0	42	-1.0	-48.46	350.72	3.34	-45.12
O=C(CCC1=NN=N[N-]1)NCCCN1N=C2CCCCN2C1=O	REAL300020134055	1	42	-1.0	-48.48	350.78	3.36	-45.12
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C(=O)NCC2=CC=C(F)C=C2)C=C1	REAL300020134056	0	43	-1.0	-45.72	375.94	4.77	-40.95
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C(=O)NCC2=CC=C(F)C=C2)C=C1	REAL300020134056	1	43	-1.0	-45.73	375.99	4.79	-40.94
O=C(CCC1=N[N-]N=N1)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300020134057	0	44	0.0	-62.29	350.89	3.95	-58.34
O=C(CCC1=NN=N[N-]1)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300020134057	1	44	0.0	-62.27	350.95	3.97	-58.30
O=C(CCC1=N[N-]N=N1)NC1CCN(CC2=CC=CC=N2)CC1	REAL300020134057	1	43	-1.0	-42.10	347.61	1.49	-40.61
O=C(CCC1=NN=N[N-]1)NC1CCN(CC2=CC=CC=N2)CC1	REAL300020134057	1	43	-1.0	-42.09	347.67	1.51	-40.58
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(C(=O)N2CCNC(=O)C2)C=C1	REAL300020134058	0	44	-1.0	-47.56	368.65	0.64	-46.92
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(C(=O)N2CCNC(=O)C2)C=C1	REAL300020134058	1	44	-1.0	-47.58	368.71	0.66	-46.92
O=C(CCC1=N[N-]N=N1)NCC1=CC=NC(N2CCCCC2)=C1	REAL300020134059	0	43	-1.0	-40.16	348.29	3.37	-36.79
O=C(CCC1=NN=N[N-]1)NCC1=CC=NC(N2CCCCC2)=C1	REAL300020134059	1	43	-1.0	-40.14	348.35	3.39	-36.75
O=C(CCC1=NN=N[N-]1)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300020134059	1	44	0.0	-57.55	349.13	3.69	-53.86
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300020134060	0	39	-1.0	-40.46	349.25	7.25	-33.21
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300020134060	1	39	-1.0	-40.42	349.31	7.26	-33.16
CC1=CC=C(Br)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020134061	0	29	-1.0	-40.55	271.61	4.10	-36.45
CC1=CC=C(Br)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020134061	1	29	-1.0	-40.51	271.67	4.12	-36.39
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(OC2CCCC2)N=C1	REAL300020134062	0	42	-1.0	-40.14	350.50	2.57	-37.57
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(OC2CCCC2)N=C1	REAL300020134062	1	42	-1.0	-40.13	350.45	2.56	-37.57
COC1=CC=CC(OC2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=N2)=C1	REAL300020134063	0	43	-1.0	-44.38	373.83	2.35	-42.03
COC1=CC=CC(OC2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=N2)=C1	REAL300020134063	1	43	-1.0	-44.38	373.77	2.33	-42.05
CN(C)C(=O)COC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020134064	0	40	-1.0	-55.50	339.29	3.42	-52.08
CN(C)C(=O)COC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134064	1	40	-1.0	-55.47	339.35	3.43	-52.04
COC1=CC=C(OC2=CC(CNC(=O)CCC3=N[N-]N=N3)=CC=N2)C=C1	REAL300020134065	0	43	-1.0	-42.48	373.82	2.33	-40.15
COC1=CC=C(OC2=CC(CNC(=O)CCC3=NN=N[N-]3)=CC=N2)C=C1	REAL300020134065	1	43	-1.0	-42.47	373.88	2.35	-40.12
CC(C)C1=CC=C(OC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020134066	0	49	-1.0	-40.61	381.88	7.15	-33.46
CC(C)C1=CC=C(OC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020134066	1	49	-1.0	-40.61	381.93	7.17	-33.44
CC1=NN(C2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=N2)C(C)=C1	REAL300020134067	0	41	-1.0	-43.62	353.01	4.65	-38.97
CC1=NN(C2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=N2)C(C)=C1	REAL300020134067	1	41	-1.0	-43.60	352.95	4.64	-38.96
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C(=O)NCC2=CC=CC=C2F)C=C1	REAL300020134068	0	43	-1.0	-46.79	375.20	4.73	-42.06
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C(=O)NCC2=CC=CC=C2F)C=C1	REAL300020134068	1	43	-1.0	-46.83	375.25	4.75	-42.08
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(N2CCC3=CC=CC=C3C2)N=C1	REAL300020134069	0	47	-1.0	-41.09	383.75	5.11	-35.98
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(N2CCC3=CC=CC=C3C2)N=C1	REAL300020134069	1	47	-1.0	-41.12	383.81	5.12	-36.00
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1	REAL300020134069	1	48	0.0	-59.66	387.47	5.79	-53.87
O=C(CCC1=N[N-]N=N1)NCCS(=O)(=O)NC1=CC=CC=C1	REAL300020134070	0	37	-1.0	-47.83	334.92	-0.45	-48.28
O=C(CCC1=NN=N[N-]1)NCCS(=O)(=O)NC1=CC=CC=C1	REAL300020134070	1	37	-1.0	-47.85	334.98	-0.44	-48.29
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300020134071	0	47	-1.0	-47.88	396.68	4.10	-43.78
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300020134071	1	47	-1.0	-47.88	396.74	4.11	-43.77
CCCCOC1=CC=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020134072	0	49	-1.0	-41.72	398.67	5.23	-36.49
CCCCOC1=CC=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020134072	1	49	-1.0	-41.76	398.73	5.24	-36.52
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CN(CC1=CC=CC=C1)C(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020134074	0	48	-1.0	-44.57	378.21	6.04	-38.53
CN(CC1=CC=CC=C1)C(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020134074	1	48	-1.0	-44.57	378.27	6.06	-38.51
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COC1=CC=C(OC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020134077	0	44	-1.0	-41.81	351.16	4.53	-37.28
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CC(C)(C)C1=CC=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134078	1	48	-1.0	-41.44	375.48	8.50	-32.94
COC1=CC(C(=O)N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=CC=C1C	REAL300020134079	0	47	-1.0	-43.07	375.95	4.51	-38.56
COC1=CC(C(=O)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=CC=C1C	REAL300020134079	1	47	-1.0	-43.06	376.00	4.53	-38.53
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CCOCCOCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020134081	0	43	-1.0	-42.42	364.19	3.49	-38.93
CCOCCOCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134081	1	43	-1.0	-42.44	364.25	3.51	-38.93
CCCN(CCC)C(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134082	0	48	-1.0	-42.28	383.81	5.72	-36.56
CCCN(CCC)C(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134082	1	48	-1.0	-42.26	383.86	5.73	-36.53
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COC1=CC(OC)=C(CNC(=O)CCC2=N[N-]N=N2)C(OC)=C1	REAL300020134084	0	41	-1.0	-43.69	343.37	0.72	-42.97
COC1=CC(OC)=C(CNC(=O)CCC2=NN=N[N-]2)C(OC)=C1	REAL300020134084	1	41	-1.0	-43.62	343.42	0.74	-42.88
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1OC1CCCC1	REAL300020134085	0	40	-1.0	-40.59	324.30	4.89	-35.70
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1OC1CCCC1	REAL300020134085	1	40	-1.0	-40.58	324.36	4.90	-35.68
COC(=O)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020134086	0	42	-1.0	-40.61	370.35	3.84	-36.77
COC(=O)CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020134086	1	42	-1.0	-40.62	370.41	3.85	-36.77
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CC1CCCN(S(=O)(=O)C2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2)C1	REAL300020134088	0	50	-1.0	-44.19	415.04	3.31	-40.88
CC1CCCN(S(=O)(=O)C2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)C1	REAL300020134088	1	50	-1.0	-44.18	415.10	3.32	-40.86
COC1=CC(C(C)NC(=O)CCC2=N[N-]N=N2)=CC=C1OCC1=CC=NC=C1	REAL300020134089	0	49	-1.0	-44.47	410.47	4.93	-39.54
COC1=CC(C(C)NC(=O)CCC2=NN=N[N-]2)=CC=C1OCC1=CC=NC=C1	REAL300020134089	1	49	-1.0	-44.45	410.52	4.95	-39.50
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O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(CN2CCOCC2)=C1	REAL300020134090	1	45	-1.0	-40.36	366.51	1.80	-38.56
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(N2CCOC2=O)=C1	REAL300020134091	0	38	-1.0	-51.85	326.28	2.76	-49.09
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(N2CCOC2=O)=C1	REAL300020134091	1	38	-1.0	-51.85	326.34	2.77	-49.08
CN(CCCC1=CC(C2=CC=CC=C2)=NN1)C(=O)CCC1=N[N-]N=N1	REAL300020134092	0	45	-1.0	-46.37	377.81	6.25	-40.12
CN(CCCC1=CC(C2=CC=CC=C2)=NN1)C(=O)CCC1=NN=N[N-]1	REAL300020134092	1	45	-1.0	-46.38	377.87	6.27	-40.11
CN(CCCCCC1=CC(C2=CC=CC=C2)=NN1)C(=O)CCC1=N[N-]N=N1	REAL300020134093	0	51	-1.0	-46.35	420.81	7.81	-38.54
CN(CCCCCC1=CC(C2=CC=CC=C2)=NN1)C(=O)CCC1=NN=N[N-]1	REAL300020134093	1	51	-1.0	-46.38	420.86	7.83	-38.55
CCOC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020134094	0	40	-1.0	-42.55	347.95	3.10	-39.45
CCOC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020134094	1	40	-1.0	-42.55	348.00	3.11	-39.44
CCOC1=CC=CC=C1OC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020134095	0	46	-1.0	-44.34	395.95	3.78	-40.56
CCOC1=CC=CC=C1OC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020134095	1	46	-1.0	-44.32	395.89	3.76	-40.56
CCC(C)C(NC(=O)CCC1=N[N-]N=N1)C1=NC2=CC=CC=C2N1	REAL300020134096	0	44	-1.0	-40.61	355.46	4.35	-36.26
CCC(C)C(NC(=O)CCC1=NN=N[N-]1)C1=NC2=CC=CC=C2N1	REAL300020134096	1	44	-1.0	-40.56	355.51	4.36	-36.20
O=C(CCC1=N[N-]N=N1)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300020134097	0	56	0.0	-66.19	433.41	5.53	-60.66
O=C(CCC1=NN=N[N-]1)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300020134097	1	56	0.0	-66.22	433.46	5.54	-60.68
CCCOC1=CC=CC=C1OC1=NC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020134098	0	49	-1.0	-46.11	416.43	4.59	-41.52
CCCOC1=CC=CC=C1OC1=NC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020134098	1	49	-1.0	-46.08	416.37	4.58	-41.50
COCCOCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020134099	0	40	-1.0	-42.48	342.34	2.53	-39.95
COCCOCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134099	1	40	-1.0	-42.45	342.39	2.54	-39.91
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(F)C=C1)C1=CC=CC=C1Cl	REAL300020134100	0	39	-1.0	-40.40	348.54	7.30	-33.10
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(F)C=C1)C1=CC=CC=C1Cl	REAL300020134100	1	39	-1.0	-40.37	348.60	7.31	-33.06
O=C(CCC1=N[N-]N=N1)NCCNC1=NC=CC=C1C(F)(F)F	REAL300020134101	0	36	-1.0	-42.05	323.98	2.18	-39.87
O=C(CCC1=NN=N[N-]1)NCCNC1=NC=CC=C1C(F)(F)F	REAL300020134101	1	36	-1.0	-42.07	324.03	2.19	-39.88
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020134102	0	42	-1.0	-51.69	343.55	3.00	-48.69
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134102	1	42	-1.0	-51.67	343.61	3.02	-48.65
O=C(CCC1=NN=N[N-]1)N1CCN(C2=NC=C(Cl)C=C2Cl)CC1	REAL300020134103	0	37	-1.0	-39.24	337.82	4.39	-34.85
O=C(CCC1=N[N-]N=N1)N1CCN(C2=NC=C(Cl)C=C2Cl)CC1	REAL300020134103	1	37	-1.0	-39.26	337.77	4.37	-34.89
CN(C)C(=O)COC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020134104	0	43	-1.0	-51.00	365.78	3.53	-47.47
CN(C)C(=O)COC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134104	1	43	-1.0	-51.00	365.84	3.55	-47.45
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020134105	0	32	-1.0	-39.96	308.24	5.82	-34.14
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020134105	1	32	-1.0	-39.97	308.31	5.83	-34.14
CC(C)NC(=O)C1=CC=C(Cl)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020134106	0	39	-1.0	-45.38	342.40	3.52	-41.86
CC(C)NC(=O)C1=CC=C(Cl)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020134106	1	39	-1.0	-45.36	342.46	3.53	-41.83
O=C(CCC1=NN=N[N-]1)NC1=CC=CN=C1OCC1=CC=CC=C1	REAL300020134107	0	39	-1.0	-40.86	339.75	3.41	-37.45
O=C(CCC1=N[N-]N=N1)NC1=CC=CN=C1OCC1=CC=CC=C1	REAL300020134107	1	39	-1.0	-40.87	339.69	3.40	-37.47
O=C(CCC1=N[N-]N=N1)N1CCC(C2=NN=C3CCCN32)CC1	REAL300020134108	0	42	-1.0	-52.05	336.69	5.72	-46.33
O=C(CCC1=NN=N[N-]1)N1CCC(C2=NN=C3CCCN32)CC1	REAL300020134108	1	42	-1.0	-52.02	336.75	5.74	-46.28
O=C(CCC1=N[N-]N=N1)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300020134109	0	53	0.0	-68.19	409.06	5.32	-62.87
O=C(CCC1=NN=N[N-]1)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300020134109	1	53	0.0	-68.20	409.12	5.33	-62.87
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=CC=CC(Cl)=C1	REAL300020134110	0	36	-1.0	-40.59	315.94	6.66	-33.93
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=CC=CC(Cl)=C1	REAL300020134110	1	36	-1.0	-40.55	316.00	6.68	-33.87
O=C(CCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=CNC1=O	REAL300020134111	0	29	-1.0	-49.49	276.31	1.62	-47.87
O=C(CCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=CNC1=O	REAL300020134111	1	29	-1.0	-49.49	276.37	1.63	-47.86
O=C(CCC1=NN=N[N-]1)NCC1=NC(C2=CC=CC=C2)=CS1	REAL300020134112	0	35	-1.0	-42.07	320.74	3.46	-38.61
O=C(CCC1=N[N-]N=N1)NCC1=NC(C2=CC=CC=C2)=CS1	REAL300020134112	1	35	-1.0	-42.02	320.69	3.45	-38.57
CS(=O)(=O)NCC1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL300020134113	0	40	-1.0	-51.56	321.25	0.86	-50.70
CS(=O)(=O)NCC1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL300020134113	1	40	-1.0	-51.55	321.31	0.88	-50.67
O=C(CCC1=N[N-]N=N1)NCCC(=O)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020134114	0	48	-1.0	-48.77	391.40	2.98	-45.79
O=C(CCC1=NN=N[N-]1)NCCC(=O)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020134114	1	48	-1.0	-48.81	391.46	2.99	-45.82
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C(NC(=O)CC2=CC=CC=C2)=C1	REAL300020134115	0	43	-1.0	-44.69	373.84	5.39	-39.30
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C(NC(=O)CC2=CC=CC=C2)=C1	REAL300020134115	1	43	-1.0	-44.70	373.90	5.40	-39.30
O=C(CCC1=N[N-]N=N1)NC(CCC1=CC=CC=C1)C1=CC=CC=C1	REAL300020134116	0	45	-1.0	-40.90	379.08	8.49	-32.41
O=C(CCC1=NN=N[N-]1)NC(CCC1=CC=CC=C1)C1=CC=CC=C1	REAL300020134116	1	45	-1.0	-40.92	379.14	8.50	-32.42
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)CC2=CNC3=CC=CC=C23)CC1	REAL300020134117	0	47	-1.0	-47.38	382.94	5.55	-41.83
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)CC2=CNC3=CC=CC=C23)CC1	REAL300020134117	1	47	-1.0	-47.38	383.00	5.57	-41.81
COC1=CC=C(Br)C(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020134118	0	33	-1.0	-40.53	305.30	2.58	-37.95
COC1=CC=C(Br)C(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134118	1	33	-1.0	-40.50	305.36	2.60	-37.90
C[NH+](C)CCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134119	0	42	0.0	-65.50	339.70	4.26	-61.24
C[NH+](C)CCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134119	1	42	0.0	-65.50	339.76	4.28	-61.22
CCN(CC)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134120	0	43	-1.0	-39.69	352.71	5.00	-34.69
CCN(CC)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134120	1	43	-1.0	-39.66	352.77	5.02	-34.64
CC(C)CCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020134121	0	44	-1.0	-38.67	366.21	6.71	-31.96
CC(C)CCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020134121	1	44	-1.0	-38.64	366.27	6.72	-31.92
CC1=CC=C(NC(=O)C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)N=C1	REAL300020134122	0	45	-1.0	-51.88	365.84	5.06	-46.82
CC1=CC=C(NC(=O)C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)N=C1	REAL300020134122	1	45	-1.0	-51.86	365.79	5.04	-46.82
CC1=CC=C(NC(=O)C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)N=C1	REAL300020134123	0	45	-1.0	-44.96	366.13	5.04	-39.92
CC1=CC=C(NC(=O)C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)N=C1	REAL300020134123	1	45	-1.0	-44.93	366.07	5.02	-39.91
O=C(CCC1=N[N-]N=N1)N(CC1=CC=C2OCOC2=C1)C1CCCC1	REAL300020134124	0	45	-1.0	-41.32	347.40	5.58	-35.74
O=C(CCC1=NN=N[N-]1)N(CC1=CC=C2OCOC2=C1)C1CCCC1	REAL300020134124	1	45	-1.0	-41.31	347.46	5.59	-35.72
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020134125	0	47	0.0	-61.65	375.06	7.80	-53.85
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020134125	1	47	0.0	-61.71	375.11	7.82	-53.89
CC1CCCCN1CC(=O)NC1=CC=C(F)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020134126	0	51	-1.0	-40.01	400.40	2.98	-37.03
CC1CCCCN1CC(=O)NC1=CC=C(F)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134126	1	51	-1.0	-40.01	400.46	3.00	-37.01
CC1CCCC[N@@H+]1CC(=O)NC1=CC=C(F)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134126	1	52	0.0	-62.63	402.04	5.15	-57.48
CC1CCCC[N@H+]1CC(=O)NC1=CC=C(F)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020134126	1	52	0.0	-61.87	407.90	5.49	-56.38
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1	REAL300020134127	0	39	-1.0	-39.61	365.98	7.77	-31.84
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1	REAL300020134127	1	39	-1.0	-39.57	366.03	7.78	-31.79
CCCNC(=O)C1=CC=C(Cl)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020134128	0	39	-1.0	-45.18	343.28	3.46	-41.72
CCCNC(=O)C1=CC=C(Cl)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020134128	1	39	-1.0	-45.19	343.33	3.47	-41.72
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020134129	0	37	-2.0	-88.80	327.52	1.04	-87.76
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020134129	1	37	-2.0	-88.74	327.47	1.02	-87.72
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC(F)F)C(F)=C1	REAL300020134130	0	30	-1.0	-41.29	276.99	2.22	-39.07
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC(F)F)C(F)=C1	REAL300020134130	1	30	-1.0	-41.32	277.04	2.23	-39.09
O=C(CCC1=N[N-]N=N1)NC1=NC(CC2=CC=C(Br)C=C2)=CS1	REAL300020134131	0	35	-1.0	-39.15	340.22	5.73	-33.42
O=C(CCC1=NN=N[N-]1)NC1=NC(CC2=CC=C(Br)C=C2)=CS1	REAL300020134131	1	35	-1.0	-39.16	340.27	5.75	-33.41
CC1=CC=C(C(=O)N2CC(C)CC(C)C2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020134132	0	52	-1.0	-52.68	399.41	6.71	-45.97
CC1=CC=C(C(=O)N2CC(C)CC(C)C2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020134132	1	52	-1.0	-52.65	399.47	6.72	-45.93
CCCOC1=CC=C(Cl)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020134133	0	36	-1.0	-40.21	319.58	4.25	-35.96
CCCOC1=CC=C(Cl)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020134133	1	36	-1.0	-40.23	319.64	4.26	-35.97
CCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1OCC(=O)N1CCCC1	REAL300020134134	0	53	-1.0	-52.29	431.42	7.05	-45.24
CCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1OCC(=O)N1CCCC1	REAL300020134134	1	53	-1.0	-52.32	431.48	7.07	-45.25
CCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1OCC(=O)N(C)C	REAL300020134135	0	49	-1.0	-52.47	404.03	5.75	-46.72
CCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1OCC(=O)N(C)C	REAL300020134135	1	49	-1.0	-52.51	404.08	5.77	-46.74
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2C=CC=N2)C(F)=C1	REAL300020134136	0	33	-1.0	-49.56	294.29	3.95	-45.61
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2C=CC=N2)C(F)=C1	REAL300020134136	1	33	-1.0	-49.56	294.24	3.93	-45.63
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2=CC=CC=C2F)S1	REAL300020134137	0	35	-1.0	-44.34	326.85	5.81	-38.53
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2=CC=CC=C2F)S1	REAL300020134137	1	35	-1.0	-44.34	326.79	5.79	-38.55
CC1=CC=C(CC2=CN=C(NC(=O)CCC3=NN=N[N-]3)S2)C=C1F	REAL300020134138	0	38	-1.0	-45.84	348.12	6.48	-39.36
CC1=CC=C(CC2=CN=C(NC(=O)CCC3=N[N-]N=N3)S2)C=C1F	REAL300020134138	1	38	-1.0	-45.81	348.06	6.47	-39.34
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300020134139	0	35	-1.0	-45.68	327.80	5.84	-39.84
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300020134139	1	35	-1.0	-45.65	327.75	5.83	-39.82
CC1=C(C2=CC=CC=C2)SC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020134140	0	35	-1.0	-43.71	317.22	5.41	-38.30
CC1=C(C2=CC=CC=C2)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020134140	1	35	-1.0	-43.68	317.28	5.43	-38.25
O=C(CCC1=NN=N[N-]1)NC1=NC=C(C2=CC=CC=C2)S1	REAL300020134141	0	32	-1.0	-43.61	296.01	4.85	-38.76
O=C(CCC1=N[N-]N=N1)NC1=NC=C(C2=CC=CC=C2)S1	REAL300020134141	1	32	-1.0	-43.66	295.96	4.84	-38.82
CC1=CC(Cl)=CC=C1CC1=CN=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020134142	0	38	-1.0	-44.61	350.56	6.62	-37.99
CC1=CC(Cl)=CC=C1CC1=CN=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020134142	1	38	-1.0	-44.59	350.50	6.61	-37.98
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300020134143	0	35	-1.0	-45.13	327.81	5.84	-39.29
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300020134143	1	35	-1.0	-45.14	327.75	5.83	-39.31
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2C=NC=N2)C(F)=C1	REAL300020134144	0	32	-1.0	-41.93	288.22	5.04	-36.89
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2C=NC=N2)C(F)=C1	REAL300020134144	1	32	-1.0	-41.91	288.17	5.03	-36.88
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C(=O)NC2CCCC2)C=C1	REAL300020134145	0	43	-1.0	-46.32	353.65	3.86	-42.46
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C(=O)NC2CCCC2)C=C1	REAL300020134145	1	43	-1.0	-46.30	353.70	3.88	-42.42
O=C(CCC1=N[N-]N=N1)NCC(=O)NC1=CC=C(Br)C=C1	REAL300020134146	0	33	-1.0	-42.29	311.76	1.70	-40.59
O=C(CCC1=NN=N[N-]1)NCC(=O)NC1=CC=C(Br)C=C1	REAL300020134146	1	33	-1.0	-42.34	311.82	1.72	-40.62
CCCC1=CC=C(S(=O)(=O)N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020134147	0	50	-1.0	-43.61	412.18	4.74	-38.87
CCCC1=CC=C(S(=O)(=O)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020134147	1	50	-1.0	-43.61	412.23	4.76	-38.85
COCCNC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020134148	0	40	-1.0	-47.85	355.75	1.29	-46.56
COCCNC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020134148	1	40	-1.0	-47.89	355.81	1.31	-46.58
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020134149	0	36	-1.0	-40.42	331.14	7.11	-33.31
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020134149	1	36	-1.0	-40.41	331.20	7.13	-33.28
CC1=CC=C(C(=O)N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1F	REAL300020134150	0	43	-1.0	-41.93	353.15	5.18	-36.75
CC1=CC=C(C(=O)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1F	REAL300020134150	1	43	-1.0	-41.90	353.21	5.19	-36.71
O=C(CCC1=N[N-]N=N1)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300020134151	0	45	0.0	-69.18	361.68	5.85	-63.33
O=C(CCC1=NN=N[N-]1)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300020134151	1	45	0.0	-69.19	361.73	5.86	-63.33
O=C(CCC1=N[N-]N=N1)NC1CCN(CC2=CC=C(F)C=C2)CC1	REAL300020134151	1	44	-1.0	-41.07	359.37	3.60	-37.47
O=C(CCC1=NN=N[N-]1)NC1CCN(CC2=CC=C(F)C=C2)CC1	REAL300020134151	1	44	-1.0	-41.08	359.42	3.62	-37.46
CCS(=O)(=O)NC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134152	0	37	-1.0	-44.36	326.51	0.19	-44.17
CCS(=O)(=O)NC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134152	1	37	-1.0	-44.32	326.57	0.21	-44.11
CC1=CC(C(=O)NC2CCCCC2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020134153	0	49	-1.0	-41.85	389.36	5.27	-36.58
CC1=CC(C(=O)NC2CCCCC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020134153	1	49	-1.0	-41.88	389.42	5.28	-36.60
CC1(C)CC2=C(SC(NC(=O)CCC3=N[N-]N=N3)=N2)C(=O)C1	REAL300020134154	0	37	-1.0	-42.57	318.63	3.34	-39.23
CC1(C)CC2=C(SC(NC(=O)CCC3=NN=N[N-]3)=N2)C(=O)C1	REAL300020134154	1	37	-1.0	-42.61	318.69	3.35	-39.26
CC(C)(C)C1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C=C1	REAL300020134155	0	44	-1.0	-38.96	370.72	6.80	-32.16
CC(C)(C)C1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C=C1	REAL300020134155	1	44	-1.0	-38.96	370.66	6.78	-32.18
COC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C=C1	REAL300020134156	0	36	-1.0	-40.29	324.05	3.77	-36.52
COC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C=C1	REAL300020134156	1	36	-1.0	-40.31	323.99	3.76	-36.55
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300020134157	0	34	-2.0	-92.61	336.00	4.04	-88.57
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300020134157	1	34	-2.0	-92.62	335.94	4.03	-88.59
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=C3OCCOC3=C2)=CS1	REAL300020134158	0	38	-1.0	-42.66	339.15	3.63	-39.03
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=C3OCCOC3=C2)=CS1	REAL300020134158	1	38	-1.0	-42.67	339.09	3.61	-39.06
CC1=C(C2=CC=CC=C2)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020134159	0	35	-1.0	-40.12	312.77	5.01	-35.11
CC1=C(C2=CC=CC=C2)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020134159	1	35	-1.0	-40.12	312.71	5.00	-35.12
CC1=C(C2=CC=CC(Cl)=C2)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020134160	0	35	-1.0	-40.26	330.99	5.57	-34.69
CC1=C(C2=CC=CC(Cl)=C2)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020134160	1	35	-1.0	-40.28	330.93	5.55	-34.73
CC1=C(C2=CC=C(C)C=C2)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020134161	0	38	-1.0	-39.91	335.66	5.73	-34.18
CC1=C(C2=CC=C(C)C=C2)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020134161	1	38	-1.0	-39.93	335.60	5.72	-34.21
COC1=CC=CC(CCNC(=O)CCC2=N[N-]N=N2)=C1OC	REAL300020134162	0	40	-1.0	-44.68	338.14	2.72	-41.96
COC1=CC=CC(CCNC(=O)CCC2=NN=N[N-]2)=C1OC	REAL300020134162	1	40	-1.0	-44.67	338.19	2.74	-41.93
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C(C(=O)NC2CC2)=C1	REAL300020134163	0	37	-1.0	-42.31	332.08	3.08	-39.23
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C(C(=O)NC2CC2)=C1	REAL300020134163	1	37	-1.0	-42.33	332.14	3.09	-39.24
COC1=CC=CC(OC)=C1OC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020134164	0	47	-1.0	-47.27	403.31	2.67	-44.60
COC1=CC=CC(OC)=C1OC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020134164	1	47	-1.0	-47.25	403.26	2.65	-44.60
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC2=CC=CC=C2)N=C1	REAL300020134165	0	39	-1.0	-40.74	340.46	3.30	-37.44
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC2=CC=CC=C2)N=C1	REAL300020134165	1	39	-1.0	-40.67	340.41	3.28	-37.39
CC(=O)N1CCN(C2=CC(CNC(=O)CCC3=N[N-]N=N3)=CC=N2)CC1	REAL300020134166	0	47	-1.0	-45.49	382.06	2.16	-43.33
CC(=O)N1CCN(C2=CC(CNC(=O)CCC3=NN=N[N-]3)=CC=N2)CC1	REAL300020134166	1	47	-1.0	-45.52	382.11	2.18	-43.34
COC1=CC=C(C(=O)NCCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134167	0	40	-1.0	-45.00	343.57	0.45	-44.55
COC1=CC=C(C(=O)NCCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134167	1	40	-1.0	-45.01	343.63	0.47	-44.54
O=C(CCC1=N[N-]N=N1)NC1=NC(CN2CCOCC2)=CS1	REAL300020134168	0	38	-1.0	-38.96	325.99	-0.25	-39.21
O=C(CCC1=NN=N[N-]1)NC1=NC(CN2CCOCC2)=CS1	REAL300020134168	1	38	-1.0	-38.99	326.05	-0.24	-39.23
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2=CC(Cl)=CC=C2Cl)S1	REAL300020134169	0	35	-1.0	-43.85	347.09	6.48	-37.37
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2=CC(Cl)=CC=C2Cl)S1	REAL300020134169	1	35	-1.0	-43.82	347.04	6.47	-37.35
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300020134170	0	35	-1.0	-43.93	333.05	6.11	-37.82
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300020134170	1	35	-1.0	-43.91	332.99	6.10	-37.81
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300020134171	0	35	-1.0	-44.40	342.69	6.40	-38.00
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300020134171	1	35	-1.0	-44.36	342.63	6.38	-37.98
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2=CC=C(Cl)C=C2Cl)S1	REAL300020134172	0	35	-1.0	-45.09	347.09	6.48	-38.61
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2=CC=C(Cl)C=C2Cl)S1	REAL300020134172	1	35	-1.0	-45.07	347.03	6.46	-38.61
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2=CC=CC(Cl)=C2Cl)S1	REAL300020134173	0	35	-1.0	-44.81	348.23	6.57	-38.24
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2=CC=CC(Cl)=C2Cl)S1	REAL300020134173	1	35	-1.0	-44.80	348.18	6.55	-38.25
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300020134174	0	38	-1.0	-45.21	360.12	6.78	-38.43
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300020134174	1	38	-1.0	-45.22	360.07	6.76	-38.46
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2=CC=C(F)C(F)=C2)S1	REAL300020134175	0	35	-1.0	-47.46	334.11	5.90	-41.56
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2=CC=C(F)C(F)=C2)S1	REAL300020134175	1	35	-1.0	-47.47	334.05	5.88	-41.59
CC1=CC=C(CC2=CN=C(NC(=O)CCC3=NN=N[N-]3)S2)C=C1Cl	REAL300020134176	0	38	-1.0	-44.97	356.86	6.88	-38.09
CC1=CC=C(CC2=CN=C(NC(=O)CCC3=N[N-]N=N3)S2)C=C1Cl	REAL300020134176	1	38	-1.0	-44.94	356.80	6.87	-38.07
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2=CC=C(OC(F)(F)F)C=C2)S1	REAL300020134177	0	39	-1.0	-45.16	367.39	5.57	-39.59
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2=CC=C(OC(F)(F)F)C=C2)S1	REAL300020134177	1	39	-1.0	-45.19	367.33	5.55	-39.64
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CC1=C(C2=NNC(=S)N2C2CC2)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020134178	1	39	-1.0	-45.13	351.70	5.24	-39.89
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CC(C1=CC=C(Cl)C=C1)N(C(=O)CCC1=N[N-]N=N1)C1CC1	REAL300020134262	0	39	-1.0	-40.16	323.16	6.61	-33.55
CC(C1=CC=C(Cl)C=C1)N(C(=O)CCC1=NN=N[N-]1)C1CC1	REAL300020134262	1	39	-1.0	-40.15	323.22	6.62	-33.53
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CC1=CC=CC(NC(=O)NC2=CC=CC(CNC(=O)CCC3=NN=N[N-]3)=C2)=C1	REAL300020134267	1	48	-1.0	-44.88	405.35	4.68	-40.20
CC(C)OC1=CC=C(CCC(C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134268	0	48	-1.0	-41.09	389.63	6.09	-35.00
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CN(CC1=CC=CC=C1)C(=O)CNC(=O)CCC1=N[N-]N=N1	REAL300020134270	0	39	-1.0	-43.35	333.70	3.26	-40.09
CN(CC1=CC=CC=C1)C(=O)CNC(=O)CCC1=NN=N[N-]1	REAL300020134270	1	39	-1.0	-43.36	333.76	3.27	-40.09
COC1=CC(C(C)NC(=O)CCC2=N[N-]N=N2)=CC=C1OCC1=CC=CC=C1	REAL300020134271	0	50	-1.0	-43.37	415.58	6.70	-36.67
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CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300020134277	1	45	-1.0	-42.68	379.18	5.12	-37.56
CN(C(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl)C1CCCCC1	REAL300020134278	0	49	-1.0	-46.90	400.04	6.36	-40.54
CN(C(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl)C1CCCCC1	REAL300020134278	1	49	-1.0	-46.90	400.10	6.37	-40.53
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CC1CCN(C(=O)C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)CC1	REAL300020134280	0	49	-1.0	-46.26	372.53	5.45	-40.81
CC1CCN(C(=O)C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)CC1	REAL300020134280	1	49	-1.0	-46.26	372.59	5.46	-40.80
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CN(CCCOC1=CC=C(Cl)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020134283	0	39	-1.0	-41.78	343.88	5.70	-36.08
CN(CCCOC1=CC=C(Cl)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020134283	1	39	-1.0	-41.78	343.94	5.71	-36.07
CCS(=O)(=O)NC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020134284	0	41	-1.0	-46.31	354.87	-0.45	-46.76
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CC1=CC=CC=C1OCCCN(C)C(=O)CCC1=NN=N[N-]1	REAL300020134287	1	42	-1.0	-42.87	347.01	5.93	-36.94
CN(CCCOC1=CC=CC(Cl)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020134288	0	39	-1.0	-42.92	343.61	5.68	-37.24
CN(CCCOC1=CC=CC(Cl)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020134288	1	39	-1.0	-42.89	343.67	5.69	-37.20
CC1=CC=CC(OC2=NC=CC=C2NC(=O)CCC2=NN=N[N-]2)=C1C	REAL300020134289	0	42	-1.0	-41.85	354.14	4.19	-37.66
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COC1=CC=CC(CC2CCCN2C(=O)CCC2=N[N-]N=N2)=C1	REAL300020134291	0	43	-1.0	-44.92	345.86	5.68	-39.24
COC1=CC=CC(CC2CCCN2C(=O)CCC2=NN=N[N-]2)=C1	REAL300020134291	1	43	-1.0	-44.91	345.92	5.70	-39.21
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CC1=C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C2=CC=CC=C2N1	REAL300020134292	1	46	-1.0	-43.92	362.27	6.80	-37.12
CN(CC1=CC=CC=C1)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134293	0	44	-1.0	-42.56	359.70	6.74	-35.82
CN(CC1=CC=CC=C1)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134293	1	44	-1.0	-42.58	359.76	6.75	-35.83
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CC1=C(C)OC(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)=N1	REAL300020134295	0	38	-1.0	-47.10	329.58	2.44	-44.66
CC1=C(C)OC(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)=N1	REAL300020134295	1	38	-1.0	-47.13	329.52	2.43	-44.70
COC1=CC=CC=C1OCCN(C)C(=O)CCC1=N[N-]N=N1	REAL300020134296	0	40	-1.0	-42.92	333.80	4.33	-38.59
COC1=CC=CC=C1OCCN(C)C(=O)CCC1=NN=N[N-]1	REAL300020134296	1	40	-1.0	-42.86	333.86	4.35	-38.51
CCS(=O)(=O)NC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1C	REAL300020134297	0	40	-1.0	-47.39	344.35	0.94	-46.45
CCS(=O)(=O)NC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1C	REAL300020134297	1	40	-1.0	-47.39	344.41	0.96	-46.43
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020134298	0	37	-1.0	-42.24	315.97	3.40	-38.84
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CC(NC(=O)CCC1=N[N-]N=N1)C1=C(Cl)C=CC(F)=C1Cl	REAL300020134299	0	32	-1.0	-40.11	302.59	4.62	-35.49
CC(NC(=O)CCC1=NN=N[N-]1)C1=C(Cl)C=CC(F)=C1Cl	REAL300020134299	1	32	-1.0	-40.10	302.64	4.63	-35.47
N#CCC1=CC=C(OCC2=CC=CC=C2NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134300	0	44	-1.0	-45.96	380.09	7.26	-38.70
N#CCC1=CC=C(OCC2=CC=CC=C2NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134300	1	44	-1.0	-45.97	380.15	7.27	-38.70
CC1=CC=C(C(=O)NC2=CC=CC(CNC(=O)CCC3=N[N-]N=N3)=C2)C=C1	REAL300020134301	0	46	-1.0	-44.81	391.05	5.38	-39.43
CC1=CC=C(C(=O)NC2=CC=CC(CNC(=O)CCC3=NN=N[N-]3)=C2)C=C1	REAL300020134301	1	46	-1.0	-44.84	391.11	5.40	-39.44
CC1=C(NC(=O)CCC2=N[N-]N=N2)C=CC=C1NC(=O)C1=CC=CC=C1	REAL300020134302	0	43	-1.0	-46.20	358.46	5.67	-40.53
CC1=C(NC(=O)CCC2=NN=N[N-]2)C=CC=C1NC(=O)C1=CC=CC=C1	REAL300020134302	1	43	-1.0	-46.24	358.52	5.68	-40.56
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(NC(=O)C2=CC=CC(F)=C2)=C1	REAL300020134303	0	43	-1.0	-46.29	376.07	4.76	-41.53
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(NC(=O)C2=CC=CC(F)=C2)=C1	REAL300020134303	1	43	-1.0	-46.30	376.12	4.78	-41.52
CCCNC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134304	0	39	-1.0	-42.09	331.13	2.46	-39.63
CCCNC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134304	1	39	-1.0	-42.09	331.19	2.46	-39.63
O=C(CCC1=N[N-]N=N1)NCCC1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300020134305	0	47	-1.0	-49.53	400.71	4.02	-45.51
O=C(CCC1=NN=N[N-]1)NCCC1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300020134305	1	47	-1.0	-49.54	400.77	4.04	-45.50
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300020134306	0	43	-1.0	-43.95	370.67	1.53	-42.42
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300020134306	1	43	-1.0	-43.96	370.73	1.55	-42.41
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCOCC2)C=C1C(F)(F)F	REAL300020134307	0	42	-1.0	-39.01	350.37	2.67	-36.34
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCOCC2)C=C1C(F)(F)F	REAL300020134307	1	42	-1.0	-39.01	350.42	2.68	-36.33
CN(C)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL300020134308	0	37	-1.0	-39.41	317.59	4.22	-35.19
CN(C)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL300020134308	1	37	-1.0	-39.41	317.64	4.24	-35.17
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020134309	0	40	-1.0	-53.15	331.80	1.85	-51.30
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020134309	1	40	-1.0	-53.08	331.86	1.88	-51.20
O=C(CCC1=N[N-]N=N1)N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020134310	0	37	-1.0	-38.80	323.30	4.76	-34.04
O=C(CCC1=NN=N[N-]1)N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020134310	1	37	-1.0	-38.81	323.36	4.78	-34.03
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(NC(=O)C2=CC=CC=N2)=C1	REAL300020134311	0	42	-1.0	-44.80	366.93	3.01	-41.79
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(NC(=O)C2=CC=CC=N2)=C1	REAL300020134311	1	42	-1.0	-44.81	366.87	3.00	-41.81
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(NC(=O)C2=CC=C(F)C=C2)=C1	REAL300020134312	0	43	-1.0	-44.09	376.05	4.76	-39.33
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(NC(=O)C2=CC=C(F)C=C2)=C1	REAL300020134312	1	43	-1.0	-44.11	376.11	4.78	-39.33
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(NC(=O)C2CCCC2)=C1	REAL300020134313	0	46	-1.0	-43.67	377.18	4.28	-39.39
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(NC(=O)C2CCCC2)=C1	REAL300020134313	1	46	-1.0	-43.67	377.24	4.30	-39.37
CN(C(=O)C1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1)C1CCCCC1	REAL300020134314	0	49	-1.0	-45.68	384.21	6.10	-39.58
CN(C(=O)C1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1)C1CCCCC1	REAL300020134314	1	49	-1.0	-45.70	384.27	6.12	-39.58
O=C(CCC1=N[N-]N=N1)NC1=CC=C(CN2CCOC2=O)C=C1	REAL300020134315	0	38	-1.0	-53.32	329.46	3.38	-49.94
O=C(CCC1=NN=N[N-]1)NC1=CC=C(CN2CCOC2=O)C=C1	REAL300020134315	1	38	-1.0	-53.30	329.52	3.40	-49.90
CC(C)N(C)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1F	REAL300020134316	0	40	-1.0	-42.31	329.23	3.37	-38.94
CC(C)N(C)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1F	REAL300020134316	1	40	-1.0	-42.34	329.29	3.38	-38.96
CN(C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1F)C1CCCCC1	REAL300020134317	0	47	-1.0	-42.27	371.07	5.22	-37.05
CN(C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1F)C1CCCCC1	REAL300020134317	1	47	-1.0	-42.32	371.13	5.23	-37.09
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1N1CCC(O)CC1	REAL300020134318	0	42	-1.0	-41.07	338.21	1.12	-39.95
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1N1CCC(O)CC1	REAL300020134318	1	42	-1.0	-41.09	338.27	1.14	-39.95
CC(C)CNC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020134319	0	42	-1.0	-47.36	362.52	3.72	-43.64
CC(C)CNC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020134319	1	42	-1.0	-47.32	362.58	3.73	-43.59
CN(C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1)C1CC[NH+](C)CC1	REAL300020134320	0	50	0.0	-67.22	381.05	6.10	-61.12
CN(C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1)C1CC[NH+](C)CC1	REAL300020134320	1	50	0.0	-67.26	381.10	6.12	-61.14
CC1=CC=C(C(CNC(=O)CCC2=N[N-]N=N2)N2CCOCC2)C=C1	REAL300020134321	0	48	-1.0	-40.29	373.54	2.34	-37.95
CC1=CC=C(C(CNC(=O)CCC2=NN=N[N-]2)N2CCOCC2)C=C1	REAL300020134321	1	48	-1.0	-40.30	373.60	2.35	-37.95
C=CCNC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134322	0	37	-1.0	-41.98	322.44	2.25	-39.73
C=CCNC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134322	1	37	-1.0	-42.02	322.50	2.26	-39.76
CC(C)N(CC1=CC=C(N(C)C)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020134323	0	46	-1.0	-42.53	355.90	6.38	-36.15
CC(C)N(CC1=CC=C(N(C)C)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020134323	1	46	-1.0	-42.54	355.96	6.39	-36.15
O=C(CCC1=N[N-]N=N1)NC1=CC(N2CCCC2=O)=CC=C1F	REAL300020134324	0	37	-1.0	-41.45	314.36	3.82	-37.63
O=C(CCC1=NN=N[N-]1)NC1=CC(N2CCCC2=O)=CC=C1F	REAL300020134324	1	37	-1.0	-41.43	314.42	3.84	-37.59
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC2=CC=CC=C2Cl)C=C1	REAL300020134325	0	40	-1.0	-41.65	356.21	6.43	-35.22
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC2=CC=CC=C2Cl)C=C1	REAL300020134325	1	40	-1.0	-41.67	356.27	6.44	-35.23
O=C(CCC1=N[N-]N=N1)NCC1(C2=CC=CC(Br)=C2)CCOCC1	REAL300020134326	0	43	-1.0	-39.64	356.47	4.36	-35.28
O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC(Br)=C2)CCOCC1	REAL300020134326	1	43	-1.0	-39.61	356.53	4.37	-35.24
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1CN1CCOCC1	REAL300020134327	0	42	-1.0	-39.91	339.34	2.32	-37.59
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1CN1CCOCC1	REAL300020134327	1	42	-1.0	-39.92	339.39	2.33	-37.59
O=C(CCC1=N[N-]N=N1)N(CC1=CC=C(Cl)C(Cl)=C1)C1CC1	REAL300020134328	0	36	-1.0	-39.58	328.60	7.20	-32.38
O=C(CCC1=NN=N[N-]1)N(CC1=CC=C(Cl)C(Cl)=C1)C1CC1	REAL300020134328	1	36	-1.0	-39.62	328.66	7.22	-32.40
CN(C)C(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020134329	0	39	-1.0	-46.12	327.56	2.84	-43.28
CN(C)C(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020134329	1	39	-1.0	-46.09	327.61	2.85	-43.24
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(OCC2=CC=CC(F)=C2)=C1	REAL300020134330	0	40	-1.0	-44.97	349.18	5.93	-39.04
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(OCC2=CC=CC(F)=C2)=C1	REAL300020134330	1	40	-1.0	-44.98	349.23	5.94	-39.04
CS(=O)(=O)CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020134331	0	38	-1.0	-50.56	342.61	0.90	-49.66
CS(=O)(=O)CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020134331	1	38	-1.0	-50.54	342.67	0.92	-49.62
COC1=CC=C(N2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020134332	0	45	-1.0	-42.11	347.94	4.51	-37.60
COC1=CC=C(N2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020134332	1	45	-1.0	-42.12	348.00	4.53	-37.59
O=C(CCC1=N[N-]N=N1)N1CCCN(C2=CC=CC=C2)CC1	REAL300020134333	0	41	-1.0	-42.26	323.84	4.98	-37.28
O=C(CCC1=NN=N[N-]1)N1CCCN(C2=CC=CC=C2)CC1	REAL300020134333	1	41	-1.0	-42.20	323.89	4.99	-37.21
O=C(CCC1=N[N-]N=N1)N1CCCN(C2=CC=C(F)C=C2)CC1	REAL300020134334	0	41	-1.0	-40.37	324.85	5.30	-35.07
O=C(CCC1=NN=N[N-]1)N1CCCN(C2=CC=C(F)C=C2)CC1	REAL300020134334	1	41	-1.0	-40.40	324.91	5.31	-35.09
O=C(CCC1=N[N-]N=N1)N1CCCN(C(=O)C2=CSC=C2)CC1	REAL300020134335	0	40	-1.0	-49.89	326.46	4.37	-45.52
O=C(CCC1=NN=N[N-]1)N1CCCN(C(=O)C2=CSC=C2)CC1	REAL300020134335	1	40	-1.0	-49.86	326.51	4.39	-45.47
CC1=CC(OC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)=CC(C)=C1	REAL300020134336	0	43	-1.0	-41.17	363.11	6.76	-34.41
CC1=CC(OC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)=CC(C)=C1	REAL300020134336	1	43	-1.0	-41.18	363.17	6.77	-34.41
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CC(C)(C)C1=NC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2N1	REAL300020135017	0	41	-1.0	-49.42	339.90	3.85	-45.57
CC(C)(C)C1=NC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2N1	REAL300020135017	1	41	-1.0	-49.40	339.95	3.87	-45.53
O=C(CCC1=N[N-]N=N1)NC1CCSC2=CC=C(Cl)C=C21	REAL300020135018	0	34	-1.0	-41.59	306.62	4.60	-36.99
O=C(CCC1=NN=N[N-]1)NC1CCSC2=CC=C(Cl)C=C21	REAL300020135018	1	34	-1.0	-41.56	306.68	4.62	-36.94
CC1=C(CC2=CC=CC=C2)SC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020135019	0	38	-1.0	-44.54	338.90	6.20	-38.34
CC1=C(CC2=CC=CC=C2)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020135019	1	38	-1.0	-44.50	338.96	6.22	-38.28
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300020135020	0	48	0.0	-64.47	361.04	6.50	-57.97
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300020135020	1	48	0.0	-64.48	361.09	6.52	-57.96
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(F)C=C1)C1CCCC1	REAL300020135021	0	42	-1.0	-39.57	346.09	6.50	-33.07
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(F)C=C1)C1CCCC1	REAL300020135021	1	42	-1.0	-39.60	346.15	6.52	-33.08
CN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020135022	0	35	-1.0	-44.04	313.78	5.83	-38.21
CN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020135022	1	35	-1.0	-44.05	313.84	5.84	-38.21
CC1CC2=CC=CC=C2N1CCNC(=O)CCC1=N[N-]N=N1	REAL300020135023	0	41	-1.0	-40.31	329.91	3.03	-37.28
CC1CC2=CC=CC=C2N1CCNC(=O)CCC1=NN=N[N-]1	REAL300020135023	1	41	-1.0	-40.29	329.97	3.05	-37.24
CC(CC1=CC=CC(Br)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020135024	0	35	-1.0	-41.27	318.66	5.07	-36.20
CC(CC1=CC=CC(Br)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020135024	1	35	-1.0	-41.28	318.72	5.09	-36.19
CC1=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL300020135025	0	42	-1.0	-42.60	358.73	5.13	-37.47
CC1=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300020135025	1	42	-1.0	-42.62	358.79	5.14	-37.48
O=C(CCC1=N[N-]N=N1)NCC(=O)N1CCN(C2=CC=CC=C2)CC1	REAL300020135026	0	45	-1.0	-42.20	362.80	2.21	-39.99
O=C(CCC1=NN=N[N-]1)NCC(=O)N1CCN(C2=CC=CC=C2)CC1	REAL300020135026	1	45	-1.0	-42.19	362.86	2.23	-39.96
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(F)C=C1)C1CCCO1	REAL300020135027	0	40	-1.0	-40.95	339.26	4.24	-36.71
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(F)C=C1)C1CCCO1	REAL300020135027	1	40	-1.0	-40.97	339.31	4.25	-36.72
C[NH+](C)CCN(CC1=CC=CC(C#N)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020135028	0	45	0.0	-72.47	373.51	7.40	-65.07
C[NH+](C)CCN(CC1=CC=CC(C#N)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020135028	1	45	0.0	-72.45	373.56	7.41	-65.04
CC1=NC(C2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)=CS1	REAL300020135029	0	38	-1.0	-42.16	342.12	4.14	-38.02
CC1=NC(C2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2)=CS1	REAL300020135029	1	38	-1.0	-42.14	342.06	4.12	-38.02
O=C(CCC1=N[N-]N=N1)NCCNS(=O)(=O)C1=CC=CC=C1	REAL300020135030	0	37	-1.0	-46.09	333.83	-0.96	-47.05
O=C(CCC1=NN=N[N-]1)NCCNS(=O)(=O)C1=CC=CC=C1	REAL300020135030	1	37	-1.0	-46.06	333.88	-0.94	-47.00
COC1=CC=C(OC)C(CCNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020135031	0	40	-1.0	-43.09	336.88	2.10	-40.99
COC1=CC=C(OC)C(CCNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020135031	1	40	-1.0	-43.06	336.94	2.11	-40.95
CC(CNC(=O)CCC1=N[N-]N=N1)COCC1=CC=CC=C1	REAL300020135032	0	42	-1.0	-40.33	352.75	4.32	-36.01
CC(CNC(=O)CCC1=NN=N[N-]1)COCC1=CC=CC=C1	REAL300020135032	1	42	-1.0	-40.34	352.81	4.34	-36.00
O=C(CCC1=N[N-]N=N1)NC1(C2=CC=C(Br)C=C2)CCC1	REAL300020135033	0	36	-1.0	-40.58	316.08	5.22	-35.36
O=C(CCC1=NN=N[N-]1)NC1(C2=CC=C(Br)C=C2)CCC1	REAL300020135033	1	36	-1.0	-40.60	316.14	5.24	-35.36
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(CN2CCCCC2=O)=C1	REAL300020135034	0	43	-1.0	-46.10	352.23	4.93	-41.17
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(CN2CCCCC2=O)=C1	REAL300020135034	1	43	-1.0	-46.09	352.29	4.94	-41.15
CN1CCC([NH+]2CCC(NC(=O)CCC3=N[N-]N=N3)CC2)CC1	REAL300020135035	0	50	0.0	-62.12	371.06	2.69	-59.43
CN1CCC([NH+]2CCC(NC(=O)CCC3=NN=N[N-]3)CC2)CC1	REAL300020135035	1	50	0.0	-62.14	371.12	2.71	-59.43
CC1=CC=C(C(=O)NC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300020135036	0	43	-1.0	-43.37	365.00	4.08	-39.29
CC1=CC=C(C(=O)NC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300020135036	1	43	-1.0	-43.39	365.05	4.10	-39.29
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL300020135037	0	49	-1.0	-42.84	395.69	4.96	-37.88
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL300020135037	1	49	-1.0	-42.79	395.75	4.98	-37.81
CC1=CC(C(=O)NCC(C)C)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020135038	0	45	-1.0	-41.44	367.48	4.05	-37.39
CC1=CC(C(=O)NCC(C)C)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020135038	1	45	-1.0	-41.42	367.54	4.08	-37.34
COC1=CC=CC(OC)=C1OC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020135039	0	48	-1.0	-44.71	382.40	5.28	-39.43
COC1=CC=CC(OC)=C1OC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020135039	1	48	-1.0	-44.72	382.46	5.30	-39.42
CC1=CC=CC(N2N=C(C(C)(C)C)C=C2NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020135040	0	48	-1.0	-41.14	390.51	8.00	-33.14
CC1=CC=CC(N2N=C(C(C)(C)C)C=C2NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020135040	1	48	-1.0	-41.12	390.45	7.98	-33.14
CC1CCC(C)[NH+]1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020135041	0	48	0.0	-55.20	339.62	5.55	-49.65
CC1CCC(C)[NH+]1C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020135041	1	48	0.0	-55.25	339.67	5.57	-49.68
CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020135042	0	35	-1.0	-38.09	315.79	4.96	-33.13
CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300020135042	1	35	-1.0	-38.10	315.85	4.97	-33.13
O=C(CCC1=N[N-]N=N1)NC1=CC=C(CN2C(=O)CSC2=O)C=C1	REAL300020135043	0	37	-1.0	-44.77	337.42	3.35	-41.42
O=C(CCC1=NN=N[N-]1)NC1=CC=C(CN2C(=O)CSC2=O)C=C1	REAL300020135043	1	37	-1.0	-44.78	337.47	3.37	-41.41
O=C(CCC1=N[N-]N=N1)NCCN1C(=O)COC2=CC=CC=C21	REAL300020135044	0	38	-1.0	-46.06	325.21	1.93	-44.13
O=C(CCC1=NN=N[N-]1)NCCN1C(=O)COC2=CC=CC=C21	REAL300020135044	1	38	-1.0	-46.05	325.26	1.95	-44.10
O=C(CCC1=N[N-]N=N1)N1CCN(CCN2CCNC2=O)CC1	REAL300020135045	0	44	-1.0	-49.57	349.58	-0.20	-49.77
O=C(CCC1=NN=N[N-]1)N1CCN(CCN2CCNC2=O)CC1	REAL300020135045	1	44	-1.0	-49.55	349.64	-0.19	-49.74
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC(F)=C1)CC1CCCO1	REAL300020135046	0	43	-1.0	-43.04	353.51	6.42	-36.62
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC(F)=C1)CC1CCCO1	REAL300020135046	1	43	-1.0	-43.08	353.57	6.43	-36.65
O=C(CCC1=N[N-]N=N1)NCCC1=CNC2=CC(F)=CC=C12	REAL300020135047	0	36	-1.0	-43.46	317.41	3.59	-39.87
O=C(CCC1=NN=N[N-]1)NCCC1=CNC2=CC(F)=CC=C12	REAL300020135047	1	36	-1.0	-43.51	317.46	3.60	-39.91
CC1=CC=C(CC2CCCN(C(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020135048	0	45	-1.0	-41.68	355.29	7.69	-33.99
CC1=CC=C(CC2CCCN(C(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020135048	1	45	-1.0	-41.67	355.35	7.70	-33.97
CCCC(C)NC(=O)C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020135049	0	48	-1.0	-40.18	377.57	4.37	-35.81
CCCC(C)NC(=O)C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020135049	1	48	-1.0	-40.16	377.62	4.38	-35.78
CCCCNC(=O)C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020135050	0	45	-1.0	-40.15	357.74	3.35	-36.80
CCCCNC(=O)C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020135050	1	45	-1.0	-40.11	357.80	3.36	-36.75
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC=C1N1CCOCC1	REAL300020135051	0	42	-1.0	-40.23	344.21	2.11	-38.12
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC=C1N1CCOCC1	REAL300020135051	1	42	-1.0	-40.22	344.27	2.11	-38.11
O=C(CCC1=N[N-]N=N1)N(C1CC1)C1CCCC2=CC=CC=C21	REAL300020135052	0	43	-1.0	-41.82	327.39	7.83	-33.99
O=C(CCC1=NN=N[N-]1)N(C1CC1)C1CCCC2=CC=CC=C21	REAL300020135052	1	43	-1.0	-41.77	327.45	7.84	-33.93
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300020135053	0	47	-1.0	-41.73	394.08	4.86	-36.87
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300020135053	1	47	-1.0	-41.75	394.13	4.88	-36.87
O=C(CCC1=N[N-]N=N1)NC1CCN(CC2=CC=CC=C2)C1=O	REAL300020135054	0	40	-1.0	-52.91	342.50	3.78	-49.13
O=C(CCC1=NN=N[N-]1)NC1CCN(CC2=CC=CC=C2)C1=O	REAL300020135054	1	40	-1.0	-52.92	342.56	3.80	-49.12
CSC1=CC2=C(C=C1NC(=O)CCC1=N[N-]N=N1)OCCO2	REAL300020135055	0	36	-1.0	-43.47	314.28	2.86	-40.61
CSC1=CC2=C(C=C1NC(=O)CCC1=NN=N[N-]1)OCCO2	REAL300020135055	1	36	-1.0	-43.44	314.34	2.88	-40.56
CC1=NN=C(SC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C(C)=C2)S1	REAL300020135056	0	38	-1.0	-44.09	354.96	4.53	-39.56
CC1=NN=C(SC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C(C)=C2)S1	REAL300020135056	1	38	-1.0	-44.12	355.02	4.54	-39.58
CC1=CC(SC2=NC=CC=N2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020135057	0	38	-1.0	-43.86	341.83	5.09	-38.77
CC1=CC(SC2=NC=CC=N2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020135057	1	38	-1.0	-43.83	341.77	5.09	-38.74
CC1=CSC(SC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C(C)=C2)=N1	REAL300020135058	0	39	-1.0	-40.93	357.77	5.19	-35.74
CC1=CSC(SC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C(C)=C2)=N1	REAL300020135058	1	39	-1.0	-40.93	357.83	5.20	-35.73
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(N2CCN(C(C)=O)CC2)=N1	REAL300020135059	0	48	-1.0	-42.72	389.26	1.16	-41.56
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(N2CCN(C(C)=O)CC2)=N1	REAL300020135059	1	48	-1.0	-42.72	389.20	1.14	-41.58
CC(C)(C)NC(=O)C1CSCN1C(=O)CCC1=N[N-]N=N1	REAL300020135060	0	40	-1.0	-47.21	330.45	3.27	-43.94
CC(C)(C)NC(=O)C1CSCN1C(=O)CCC1=NN=N[N-]1	REAL300020135060	1	40	-1.0	-47.23	330.51	3.28	-43.95
CC1=CC=C(NC(=O)C2CSCN2C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020135061	0	41	-1.0	-48.36	352.46	5.54	-42.82
CC1=CC=C(NC(=O)C2CSCN2C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020135061	1	41	-1.0	-48.39	352.52	5.55	-42.84
O=C(CCC1=N[N-]N=N1)N1CCC(N2N=NC3=C2CCCC3)CC1	REAL300020135062	0	45	-1.0	-48.58	353.35	4.74	-43.84
O=C(CCC1=NN=N[N-]1)N1CCC(N2N=NC3=C2CCCC3)CC1	REAL300020135062	1	45	-1.0	-48.61	353.40	4.75	-43.86
CN(CCC1=CC=CC2=CC=CC=C21)C(=O)CCC1=N[N-]N=N1	REAL300020135063	0	41	-1.0	-42.86	339.40	7.69	-35.17
CN(CCC1=CC=CC2=CC=CC=C21)C(=O)CCC1=NN=N[N-]1	REAL300020135063	1	41	-1.0	-42.91	339.46	7.71	-35.20
O=C(CCC1=N[N-]N=N1)N1CCOC(C2=CC=CC=C2Br)C1	REAL300020135064	0	37	-1.0	-41.11	323.23	4.78	-36.33
O=C(CCC1=NN=N[N-]1)N1CCOC(C2=CC=CC=C2Br)C1	REAL300020135064	1	37	-1.0	-41.17	323.29	4.79	-36.38
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2=CC(Cl)=CC=C2Cl)C(F)=C1	REAL300020135065	0	37	-1.0	-43.27	359.80	6.54	-36.73
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2=CC(Cl)=CC=C2Cl)C(F)=C1	REAL300020135065	1	37	-1.0	-43.27	359.86	6.56	-36.71
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020135066	0	49	0.0	-62.81	383.04	6.42	-56.39
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020135066	1	49	0.0	-62.81	383.09	6.43	-56.38
NS(=O)(=O)CC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020135067	0	34	-1.0	-49.86	310.05	-1.77	-51.63
NS(=O)(=O)CC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020135067	1	34	-1.0	-49.84	310.11	-1.76	-51.60
COC1=CC=C(N2CCC(N(C)C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020135068	0	48	-1.0	-41.03	371.28	4.37	-36.66
COC1=CC=C(N2CCC(N(C)C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020135068	1	48	-1.0	-41.03	371.34	4.39	-36.64
CN(C(=O)CCC1=NN=N[N-]1)C(C1=CN(C)N=C1)C1=CC=CC(F)=C1	REAL300020135069	0	42	-1.0	-44.74	353.20	5.81	-38.93
CN(C(=O)CCC1=N[N-]N=N1)C(C1=CN(C)N=C1)C1=CC=CC(F)=C1	REAL300020135069	1	42	-1.0	-44.75	353.15	5.80	-38.95
O=C(CCC1=N[N-]N=N1)N1CCC(C2=NC(C3=CC=C(F)C(F)=C3)=CN2)CC1	REAL300020135070	0	46	-1.0	-45.98	385.98	6.76	-39.22
O=C(CCC1=NN=N[N-]1)N1CCC(C2=NC(C3=CC=C(F)C(F)=C3)=CN2)CC1	REAL300020135070	1	46	-1.0	-45.95	386.04	6.78	-39.17
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020135071	0	35	-1.0	-42.40	330.48	4.37	-38.03
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020135071	1	35	-1.0	-42.40	330.54	4.39	-38.01
O=C(CCC1=N[N-]N=N1)NC1CC1C1=CC=CC=C1C(F)(F)F	REAL300020135072	0	36	-1.0	-42.13	318.49	4.92	-37.21
O=C(CCC1=NN=N[N-]1)NC1CC1C1=CC=CC=C1C(F)(F)F	REAL300020135072	1	36	-1.0	-42.14	318.55	4.93	-37.21
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C[NH+](C)CCN(CC1=CC=C(Br)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020135109	1	44	0.0	-64.28	374.05	7.65	-56.63
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C[NH+](C)CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020135111	1	47	0.0	-65.72	391.49	8.03	-57.69
CC[NH+](CC)CCN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020135112	0	50	0.0	-62.00	413.36	8.99	-53.01
CC[NH+](CC)CCN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020135112	1	50	0.0	-62.00	413.40	9.01	-52.99
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CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020135114	0	50	0.0	-61.58	383.79	8.21	-53.37
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020135114	1	50	0.0	-61.61	383.85	8.22	-53.39
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020135115	0	44	0.0	-60.47	369.43	7.54	-52.93
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020135115	1	44	0.0	-60.45	369.49	7.54	-52.91
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)CCC1=N[N-]N=N1	REAL300020135116	0	44	0.0	-69.68	359.29	7.11	-62.57
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)CCC1=NN=N[N-]1	REAL300020135116	1	44	0.0	-69.67	359.34	7.12	-62.55
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020135117	0	44	0.0	-64.16	365.40	7.14	-57.02
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020135117	1	44	0.0	-64.12	365.46	7.14	-56.98
C[NH+](C)CCN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020135118	0	47	0.0	-69.09	391.71	8.04	-61.05
C[NH+](C)CCN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020135118	1	47	0.0	-69.10	391.77	8.05	-61.05
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020135119	0	44	0.0	-60.87	359.11	7.09	-53.78
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CC(C)(C)SC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020135179	1	39	-1.0	-40.53	321.46	5.29	-35.24
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CC(CNC(=O)CCC1=N[N-]N=N1)C1=C(Cl)C=CC=C1Cl	REAL300020135181	0	35	-1.0	-40.77	315.58	4.66	-36.11
CC(CNC(=O)CCC1=NN=N[N-]1)C1=C(Cl)C=CC=C1Cl	REAL300020135181	1	35	-1.0	-40.82	315.64	4.68	-36.14
CCCC(NC(=O)CCC1=N[N-]N=N1)C(=O)NC1=CC=CC(N2CCCC2)=C1	REAL300020135182	0	54	-1.0	-42.16	423.32	3.82	-38.34
CCCC(NC(=O)CCC1=NN=N[N-]1)C(=O)NC1=CC=CC(N2CCCC2)=C1	REAL300020135182	1	54	-1.0	-42.13	423.38	3.84	-38.29
CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=C(Cl)C=CC=C1Cl	REAL300020135183	0	35	-1.0	-40.36	302.65	4.95	-35.41
CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=C(Cl)C=CC=C1Cl	REAL300020135183	1	35	-1.0	-40.35	302.71	4.97	-35.38
COC1=C(Cl)C=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020135184	0	30	-1.0	-39.04	297.27	3.09	-35.95
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O=C(CCC1=NN=N[N-]1)NCCC1=NC(C2=CC=NC=C2)=CS1	REAL300020135193	1	37	-1.0	-44.90	337.49	2.44	-42.46
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CCC(NC(=O)CCC1=N[N-]N=N1)C1=NN=C2CCCCCN21	REAL300020135200	0	44	-1.0	-43.61	342.30	4.24	-39.37
CCC(NC(=O)CCC1=NN=N[N-]1)C1=NN=C2CCCCCN21	REAL300020135200	1	44	-1.0	-43.61	342.36	4.26	-39.35
CCCS(=O)(=O)NC1=CC(NC(=O)CCC2=N[N-]N=N2)=C(F)C=C1F	REAL300020135201	0	40	-1.0	-46.16	359.20	1.16	-45.00
CCCS(=O)(=O)NC1=CC(NC(=O)CCC2=NN=N[N-]2)=C(F)C=C1F	REAL300020135201	1	40	-1.0	-46.19	359.26	1.17	-45.02
CN(CCCCCC1=CC(C2=CC=CC=C2)=NO1)C(=O)CCC1=NN=N[N-]1	REAL300020135202	0	50	-1.0	-47.47	416.43	9.08	-38.39
CN(CCCCCC1=CC(C2=CC=CC=C2)=NO1)C(=O)CCC1=N[N-]N=N1	REAL300020135202	1	50	-1.0	-47.51	416.37	9.06	-38.45
CC(C)(C)OC(=O)NCCC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020135203	0	52	-1.0	-43.92	426.99	3.91	-40.01
CC(C)(C)OC(=O)NCCC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020135203	1	52	-1.0	-43.97	427.05	3.93	-40.04
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CC1=NN(C2=CC=CC(C(F)(F)F)=C2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020135204	1	39	-1.0	-40.93	348.08	6.47	-34.46
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CC1=NN(C2=CC=CC(Br)=C2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020135205	1	36	-1.0	-40.28	330.36	6.07	-34.21
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O=C(CCC1=NN=N[N-]1)NCC(=O)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020135208	1	45	-1.0	-42.80	379.62	2.75	-40.05
CCC(CC)(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020135209	0	44	-1.0	-39.43	355.87	6.03	-33.40
CCC(CC)(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020135209	1	44	-1.0	-39.46	355.93	6.05	-33.41
COC1=CC=C(CCNC(=O)CCC2=N[N-]N=N2)C=C1OC(F)F	REAL300020135210	0	40	-1.0	-45.83	347.59	2.95	-42.88
COC1=CC=C(CCNC(=O)CCC2=NN=N[N-]2)C=C1OC(F)F	REAL300020135210	1	40	-1.0	-45.82	347.65	2.97	-42.85
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CC1=CC=C(CC(=O)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020135212	1	46	-1.0	-44.42	372.50	6.19	-38.23
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020135213	0	39	-1.0	-40.90	330.40	6.11	-34.79
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020135213	1	39	-1.0	-40.93	330.46	6.13	-34.80
O=C(CCC1=N[N-]N=N1)NC1=CC(C2CCCC2)=NN1C1=CC=CC=C1	REAL300020135214	0	46	-1.0	-41.13	371.57	7.93	-33.20
O=C(CCC1=NN=N[N-]1)NC1=CC(C2CCCC2)=NN1C1=CC=CC=C1	REAL300020135214	1	46	-1.0	-41.14	371.62	7.95	-33.19
CC(C)(CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020135215	0	38	-1.0	-38.76	328.57	5.15	-33.61
CC(C)(CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020135215	1	38	-1.0	-38.75	328.62	5.16	-33.59
O=C(CCC1=N[N-]N=N1)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1	REAL300020135216	0	51	0.0	-62.88	388.90	9.17	-53.71
O=C(CCC1=N[N-]N=N1)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1	REAL300020135216	1	51	0.0	-63.07	388.59	9.14	-53.93
O=C(CCC1=NN=N[N-]1)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1	REAL300020135216	1	51	0.0	-62.92	388.96	9.19	-53.73
O=C(CCC1=NN=N[N-]1)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1	REAL300020135216	1	51	0.0	-63.07	388.65	9.15	-53.92
O=C(CCC1=N[N-]N=N1)NC1(CC2=CC=C(Br)C=C2)CCCCC1	REAL300020135217	0	45	-1.0	-40.14	363.84	7.65	-32.49
O=C(CCC1=NN=N[N-]1)NC1(CC2=CC=C(Br)C=C2)CCCCC1	REAL300020135217	1	45	-1.0	-40.10	363.90	7.66	-32.44
CN(C)CC1=NC(C(C)(C)NC(=O)CCC2=N[N-]N=N2)=NO1	REAL300020135218	0	41	-1.0	-40.26	337.61	-1.83	-42.09
CN(C)CC1=NC(C(C)(C)NC(=O)CCC2=NN=N[N-]2)=NO1	REAL300020135218	1	41	-1.0	-40.21	337.67	-1.81	-42.02
NC(=O)C1=NN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)C=C1	REAL300020135219	0	37	-1.0	-46.34	327.46	0.55	-45.79
NC(=O)C1=NN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)C=C1	REAL300020135219	1	37	-1.0	-46.35	327.40	0.53	-45.82
CCCN(C(=O)CCC1=N[N-]N=N1)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020135220	0	52	-1.0	-49.36	404.22	7.50	-41.86
CCCN(C(=O)CCC1=NN=N[N-]1)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020135220	1	52	-1.0	-49.31	404.28	7.51	-41.80
O=C(CCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=NC=C2)=NO1	REAL300020135221	0	31	-2.0	-87.34	295.62	-1.57	-88.91
O=C(CCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=NC=C2)=NO1	REAL300020135221	1	31	-2.0	-87.35	295.68	-1.55	-88.90
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O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(NC(=O)NC2=CC=CC=C2)=C1	REAL300020135222	1	45	-1.0	-45.06	383.94	4.00	-41.06
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C(=O)NC2=CC=CC=N2)=C1	REAL300020135223	0	39	-1.0	-58.64	339.60	4.31	-54.33
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C(=O)NC2=CC=CC=N2)=C1	REAL300020135223	1	39	-1.0	-58.64	339.55	4.29	-54.35
CC1=CC=C(NC(=O)NCC2CCCN(C(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020135224	0	51	-1.0	-44.16	406.85	4.93	-39.23
CC1=CC=C(NC(=O)NCC2CCCN(C(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020135224	1	51	-1.0	-44.18	406.91	4.94	-39.24
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300020135225	0	35	-1.0	-44.82	342.69	6.39	-38.43
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300020135225	1	35	-1.0	-44.77	342.63	6.37	-38.40
CC(C)C(NC(=O)CCC1=NN=N[N-]1)C1=NC(C2=CC=CN=C2)=NO1	REAL300020135226	0	42	-1.0	-40.81	356.13	1.45	-39.36
CC(C)C(NC(=O)CCC1=N[N-]N=N1)C1=NC(C2=CC=CN=C2)=NO1	REAL300020135226	1	42	-1.0	-40.80	356.07	1.44	-39.36
CC(C)C(NC(=O)CCC1=N[N-]N=N1)C1=NC(C2=CC=NC=C2)=NO1	REAL300020135227	0	42	-1.0	-39.72	356.24	1.44	-38.28
CC(C)C(NC(=O)CCC1=NN=N[N-]1)C1=NC(C2=CC=NC=C2)=NO1	REAL300020135227	1	42	-1.0	-39.79	356.30	1.46	-38.33
CN(CCCC1=CC(C2=CC=C(F)C=C2)=NO1)C(=O)CCC1=NN=N[N-]1	REAL300020135228	0	44	-1.0	-47.24	379.83	7.58	-39.66
CN(CCCC1=CC(C2=CC=C(F)C=C2)=NO1)C(=O)CCC1=N[N-]N=N1	REAL300020135228	1	44	-1.0	-47.25	379.78	7.57	-39.68
O=C(CCC1=N[N-]N=N1)NC1=CN(CC2=CN3C=CC=CC3=N2)N=C1	REAL300020135229	0	39	-1.0	-52.91	342.11	4.69	-48.22
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CN(C)CC[NH+]1CCC(CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020135803	0	49	0.0	-64.08	371.29	2.35	-61.73
CN(C)CC[NH+]1CCC(CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020135803	1	49	0.0	-64.10	371.35	2.36	-61.74
C[NH+](C)CCN1CCC(CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020135803	1	49	0.0	-64.36	370.70	2.46	-61.90
C[NH+](C)CCN1CCC(CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020135803	1	49	0.0	-64.39	370.76	2.47	-61.92
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CCOC(=O)C1=CSC(CNC(=O)CCC2=N[N-]N=N2)=N1	REAL300020135805	0	34	-1.0	-43.08	320.42	1.27	-41.81
CCOC(=O)C1=CSC(CNC(=O)CCC2=NN=N[N-]2)=N1	REAL300020135805	1	34	-1.0	-43.09	320.48	1.29	-41.80
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O=C(CCC1=NN=N[N-]1)NCC(=O)NC1=CC=C(F)C(F)=C1	REAL300020135807	1	33	-1.0	-42.42	303.24	1.22	-41.20
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCCC2)C(Cl)=C1	REAL300020135808	0	38	-1.0	-38.99	320.34	3.49	-35.50
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCCC2)C(Cl)=C1	REAL300020135808	1	38	-1.0	-38.97	320.40	3.50	-35.47
O=C(CCC1=N[N-]N=N1)NCCC1=NC(C2=CC=CO2)=NN1	REAL300020135809	0	35	-1.0	-49.73	316.43	1.41	-48.32
O=C(CCC1=NN=N[N-]1)NCCC1=NC(C2=CC=CO2)=NN1	REAL300020135809	1	35	-1.0	-49.75	316.49	1.42	-48.33
CC1=CSC(NC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)=N1	REAL300020135810	0	37	-1.0	-41.18	329.40	3.63	-37.55
CC1=CSC(NC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)=N1	REAL300020135810	1	37	-1.0	-41.24	329.34	3.62	-37.62
CCC1=NC(CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=NO1	REAL300020135811	0	42	-1.0	-41.96	342.98	0.49	-41.47
CCC1=NC(CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=NO1	REAL300020135811	1	42	-1.0	-42.03	343.04	0.51	-41.52
CC(C)N1C(=S)NN=C1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020135812	0	45	-1.0	-47.76	365.26	6.14	-41.62
CC(C)N1C(=S)NN=C1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020135812	1	45	-1.0	-47.75	365.32	6.15	-41.60
O=C(CCC1=N[N-]N=N1)NCCC1=NC(C2=CC=CC=N2)=CS1	REAL300020135813	0	37	-1.0	-44.96	339.41	2.59	-42.37
O=C(CCC1=NN=N[N-]1)NCCC1=NC(C2=CC=CC=N2)=CS1	REAL300020135813	1	37	-1.0	-44.97	339.47	2.60	-42.37
O=C(CCC1=N[N-]N=N1)NCCNC(=O)C1=CC=C(F)C=C1	REAL300020135814	0	36	-1.0	-43.62	320.56	1.21	-42.41
O=C(CCC1=NN=N[N-]1)NCCNC(=O)C1=CC=C(F)C=C1	REAL300020135814	1	36	-1.0	-43.59	320.62	1.22	-42.37
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(NC2=CC=CC=C2)=C1	REAL300020135815	0	38	-1.0	-42.92	322.93	4.91	-38.01
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(NC2=CC=CC=C2)=C1	REAL300020135815	1	38	-1.0	-42.90	322.99	4.92	-37.98
CC(C)N1C2=CC=CC=C2N=C1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020135816	0	51	-1.0	-43.77	396.68	7.78	-35.99
CC(C)N1C2=CC=CC=C2N=C1C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020135816	1	51	-1.0	-43.77	396.73	7.79	-35.98
COC(=O)C1CC[NH+](CCCNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020135817	0	47	0.0	-71.68	373.45	4.28	-67.40
COC(=O)C1CC[NH+](CCCNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020135817	1	47	0.0	-71.73	373.50	4.29	-67.44
O=C(CCC1=N[N-]N=N1)N1CCCCC1C(=O)NC1=CC=C(Cl)C=C1Cl	REAL300020135818	0	43	-1.0	-45.03	375.42	6.92	-38.11
O=C(CCC1=NN=N[N-]1)N1CCCCC1C(=O)NC1=CC=C(Cl)C=C1Cl	REAL300020135818	1	43	-1.0	-45.08	375.48	6.93	-38.15
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1N1C=CC=C1	REAL300020135819	0	34	-1.0	-36.89	310.03	6.36	-30.53
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1N1C=CC=C1	REAL300020135819	1	34	-1.0	-36.96	310.09	6.38	-30.58
COC(=O)C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=C(O)C=C1	REAL300020135820	0	42	-1.0	-45.37	357.13	2.23	-43.14
COC(=O)C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=C(O)C=C1	REAL300020135820	1	42	-1.0	-45.35	357.19	2.24	-43.11
O=C(CCC1=N[N-]N=N1)NC(C(=O)NC1=NNC=C1)C1=CC=CC=C1	REAL300020135821	0	40	-1.0	-45.04	348.46	2.56	-42.48
O=C(CCC1=NN=N[N-]1)NC(C(=O)NC1=NNC=C1)C1=CC=CC=C1	REAL300020135821	1	40	-1.0	-45.03	348.51	2.57	-42.46
O=C(CCC1=N[N-]N=N1)N1CCC2=C(C1)C(C(F)(F)F)=NN2	REAL300020135822	0	33	-1.0	-42.54	294.43	2.33	-40.21
O=C(CCC1=NN=N[N-]1)N1CCC2=C(C1)C(C(F)(F)F)=NN2	REAL300020135822	1	33	-1.0	-42.54	294.49	2.34	-40.20
CCN(CC)C(=O)CN1CCCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020135823	0	50	-1.0	-50.40	379.79	3.99	-46.41
CCN(CC)C(=O)CN1CCCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020135823	1	50	-1.0	-50.42	379.84	4.00	-46.42
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020135823	1	51	0.0	-59.21	383.83	6.11	-53.10
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020135823	1	51	0.0	-59.49	383.67	6.09	-53.40
O=C(CN1CCCN(C(=O)CCC2=N[N-]N=N2)CC1)N1CCCC1	REAL300020135824	0	48	-1.0	-51.36	365.68	3.38	-47.98
O=C(CN1CCCN(C(=O)CCC2=NN=N[N-]2)CC1)N1CCCC1	REAL300020135824	1	48	-1.0	-51.34	365.74	3.39	-47.95
O=C(CCC1=N[N-]N=N1)NC1CC[NH+](CC2CCCO2)CC1	REAL300020135825	0	46	0.0	-61.29	352.27	3.23	-58.06
O=C(CCC1=NN=N[N-]1)NC1CC[NH+](CC2CCCO2)CC1	REAL300020135825	1	46	0.0	-61.29	352.33	3.24	-58.05
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	REAL300020135826	0	55	0.0	-72.07	419.87	5.10	-66.97
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	REAL300020135826	1	55	0.0	-72.08	419.93	5.11	-66.97
CCCC[N@H+](C)CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020135827	0	50	0.0	-66.00	371.38	6.99	-59.01
CCCC[N@@H+](C)CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020135827	1	50	0.0	-66.03	371.44	7.00	-59.03
CCCC[N@H+](C)CC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020135827	1	50	0.0	-65.98	371.44	7.00	-58.98
CCCC[N@@H+](C)CC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020135827	1	50	0.0	-66.05	371.50	7.01	-59.04
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020135828	0	57	0.0	-71.76	425.10	5.00	-66.76
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020135828	1	57	0.0	-71.74	425.15	5.02	-66.72
CCOCCCNC(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020135829	0	49	-1.0	-46.31	391.43	2.63	-43.68
CCOCCCNC(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020135829	1	49	-1.0	-46.33	391.49	2.65	-43.68
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=NC3=CC=CC=C3S2)CC1	REAL300020135830	0	43	-1.0	-43.38	361.48	3.76	-39.62
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=NC3=CC=CC=C3S2)CC1	REAL300020135830	1	43	-1.0	-43.38	361.54	3.77	-39.61
COC(=O)C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC(F)=C1	REAL300020135831	0	41	-1.0	-44.91	352.47	5.15	-39.76
COC(=O)C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC(F)=C1	REAL300020135831	1	41	-1.0	-44.92	352.53	5.16	-39.76
CC(C)(C)OC(=O)NCC(C)(NC(=O)CCC1=N[N-]N=N1)C1CC1	REAL300020135832	0	49	-1.0	-44.81	378.73	2.43	-42.38
CC(C)(C)OC(=O)NCC(C)(NC(=O)CCC1=NN=N[N-]1)C1CC1	REAL300020135832	1	49	-1.0	-44.78	378.78	2.44	-42.34
CN(C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1)S(C)(=O)=O	REAL300020135833	0	40	-1.0	-46.86	346.98	0.83	-46.03
CN(C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1)S(C)(=O)=O	REAL300020135833	1	40	-1.0	-46.88	347.04	0.84	-46.04
CCC1=C(C2=CC=C(Br)C=C2)NN=C1NC(=O)CCC1=N[N-]N=N1	REAL300020135834	0	39	-1.0	-43.55	353.37	5.61	-37.94
CCC1=C(C2=CC=C(Br)C=C2)NN=C1NC(=O)CCC1=NN=N[N-]1	REAL300020135834	1	39	-1.0	-43.53	353.43	5.63	-37.90
O=C(CCC1=N[N-]N=N1)NC1CCN(CC(F)(F)F)CC1	REAL300020135835	0	37	-1.0	-39.90	311.74	1.16	-38.74
O=C(CCC1=NN=N[N-]1)NC1CCN(CC(F)(F)F)CC1	REAL300020135835	1	37	-1.0	-39.90	311.80	1.18	-38.72
CCN1C2=CC=CC=C2N=C1C(C)NC(=O)CCC1=N[N-]N=N1	REAL300020135836	0	41	-1.0	-42.78	345.98	4.66	-38.12
CCN1C2=CC=CC=C2N=C1C(C)NC(=O)CCC1=NN=N[N-]1	REAL300020135836	1	41	-1.0	-42.80	346.03	4.67	-38.13
CN1CCN(C(=O)N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)CC1	REAL300020135837	0	47	-1.0	-43.38	355.62	1.50	-41.88
CN1CCN(C(=O)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)CC1	REAL300020135837	1	47	-1.0	-43.39	355.67	1.52	-41.87
CC(C)N1C=NN=C1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020135838	0	44	-1.0	-49.39	351.18	6.55	-42.84
CC(C)N1C=NN=C1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020135838	1	44	-1.0	-49.44	351.24	6.57	-42.87
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=C3CCCC3=C2)=CS1	REAL300020135839	0	39	-1.0	-39.97	340.13	6.39	-33.58
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=C3CCCC3=C2)=CS1	REAL300020135839	1	39	-1.0	-39.96	340.07	6.37	-33.59
CSC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C=C1	REAL300020135840	0	36	-1.0	-39.83	334.75	5.50	-34.33
CSC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C=C1	REAL300020135840	1	36	-1.0	-39.88	334.69	5.48	-34.40
CC1=CC=C(CN2N=CC=C2NC(=O)CCC2=NN=N[N-]2)O1	REAL300020135841	0	36	-1.0	-41.49	316.30	4.07	-37.42
CC1=CC=C(CN2N=CC=C2NC(=O)CCC2=N[N-]N=N2)O1	REAL300020135841	1	36	-1.0	-41.50	316.24	4.06	-37.44
CC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)S1	REAL300020135842	0	32	-1.0	-38.66	309.32	4.34	-34.32
CC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)S1	REAL300020135842	1	32	-1.0	-38.63	309.26	4.32	-34.31
CC1=C2N=C(NC(=O)CCC3=N[N-]N=N3)SC2=C(C)C=C1	REAL300020135843	0	34	-1.0	-40.98	304.64	4.45	-36.53
CC1=C2N=C(NC(=O)CCC3=NN=N[N-]3)SC2=C(C)C=C1	REAL300020135843	1	34	-1.0	-40.94	304.70	4.46	-36.48
CC(=O)NCC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C=C1	REAL300020135844	0	42	-1.0	-43.73	376.79	3.49	-40.24
CC(=O)NCC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C=C1	REAL300020135844	1	42	-1.0	-43.69	376.73	3.48	-40.21
O=C(CCC1=N[N-]N=N1)N(CCCN1CCOCC1)C1CCS(=O)(=O)C1	REAL300020135845	0	51	-1.0	-48.99	402.84	-0.22	-49.21
O=C(CCC1=NN=N[N-]1)N(CCCN1CCOCC1)C1CCS(=O)(=O)C1	REAL300020135845	1	51	-1.0	-49.00	402.90	-0.20	-49.20
CC(=O)NCCCC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C=C1	REAL300020135846	0	48	-1.0	-45.63	419.77	5.05	-40.58
CC(=O)NCCCC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C=C1	REAL300020135846	1	48	-1.0	-45.63	419.71	5.04	-40.59
CCC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)S1	REAL300020135847	0	35	-1.0	-38.43	330.81	5.12	-33.31
CCC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)S1	REAL300020135847	1	35	-1.0	-38.39	330.75	5.10	-33.29
COC1=CC=C(C)C=C1C1=CSC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020135848	0	39	-1.0	-41.76	343.18	4.88	-36.88
COC1=CC=C(C)C=C1C1=CSC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020135848	1	39	-1.0	-41.75	343.13	4.86	-36.89
CS(=O)(=O)NC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C=C1	REAL300020135849	0	40	-1.0	-44.92	368.13	1.19	-43.73
CS(=O)(=O)NC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C=C1	REAL300020135849	1	40	-1.0	-44.88	368.07	1.17	-43.71
CC(=O)NCC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)O1	REAL300020135850	0	39	-1.0	-42.67	361.59	1.76	-40.91
CC(=O)NCC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)O1	REAL300020135850	1	39	-1.0	-42.62	361.54	1.74	-40.88
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=C3OCCC3=C2)=CS1	REAL300020135851	0	37	-1.0	-40.42	330.54	4.32	-36.10
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=C3OCCC3=C2)=CS1	REAL300020135851	1	37	-1.0	-40.47	330.48	4.31	-36.16
COC(=O)C1=CC(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)=CN1	REAL300020135852	0	36	-1.0	-46.73	338.26	2.75	-43.98
COC(=O)C1=CC(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)=CN1	REAL300020135852	1	36	-1.0	-46.78	338.32	2.77	-44.01
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(NC(=O)CCC1=N[N-]N=N1)=N2	REAL300020135853	0	46	-1.0	-40.48	382.89	4.03	-36.45
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(NC(=O)CCC1=NN=N[N-]1)=N2	REAL300020135853	1	46	-1.0	-40.48	382.95	4.05	-36.43
C=CCN1C(=S)NN=C1C1=C(C)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020135854	0	39	-1.0	-45.46	362.58	5.63	-39.83
C=CCN1C(=S)NN=C1C1=C(C)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020135854	1	39	-1.0	-45.48	362.63	5.64	-39.84
CC(=O)NCC1=CC=C(C2=C(C)SC(NC(=O)CCC3=NN=N[N-]3)=N2)S1	REAL300020135855	0	42	-1.0	-42.91	387.43	3.33	-39.58
CC(=O)NCC1=CC=C(C2=C(C)SC(NC(=O)CCC3=N[N-]N=N3)=N2)S1	REAL300020135855	1	42	-1.0	-42.91	387.37	3.31	-39.60
CC1=NC(C)=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)S1	REAL300020135856	0	34	-1.0	-39.85	320.72	3.44	-36.41
CC1=NC(C)=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)S1	REAL300020135856	1	34	-1.0	-39.85	320.78	3.46	-36.39
CC1=CC(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)=C(C)O1	REAL300020135857	0	35	-1.0	-39.78	318.21	4.34	-35.44
CC1=CC(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)=C(C)O1	REAL300020135857	1	35	-1.0	-39.77	318.26	4.36	-35.41
CC(C)(C)C1=CC=C(C(C#N)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020135858	0	42	-1.0	-41.11	350.57	5.52	-35.59
CC(C)(C)C1=CC=C(C(C#N)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020135858	1	42	-1.0	-41.11	350.62	5.53	-35.58
COC1=C2N=C(NC(=O)CCC3=NN=N[N-]3)SC2=CC(F)=C1	REAL300020135859	0	32	-1.0	-39.94	299.23	2.49	-37.45
COC1=C2N=C(NC(=O)CCC3=N[N-]N=N3)SC2=CC(F)=C1	REAL300020135859	1	32	-1.0	-39.95	299.18	2.48	-37.47
CCOC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C=C1	REAL300020135860	0	39	-1.0	-40.10	345.91	4.70	-35.40
CCOC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C=C1	REAL300020135860	1	39	-1.0	-40.06	345.85	4.69	-35.37
CC(C)CC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C=C1	REAL300020135861	0	44	-1.0	-38.97	375.72	7.16	-31.81
CC(C)CC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C=C1	REAL300020135861	1	44	-1.0	-38.90	375.66	7.15	-31.75
CC1=CC=CC=C1C1=CSC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020135862	0	35	-1.0	-39.03	310.23	5.65	-33.38
CC1=CC=CC=C1C1=CSC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020135862	1	35	-1.0	-39.02	310.28	5.67	-33.35
COC1=CC=CC=C1C1=CSC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020135863	0	36	-1.0	-41.96	321.79	4.21	-37.75
COC1=CC=CC=C1C1=CSC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020135863	1	36	-1.0	-41.94	321.73	4.20	-37.74
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CNS(=O)(=O)C1=CC=CC(NC(=O)C(C)NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020135872	1	44	-1.0	-48.55	387.23	-1.91	-50.46
CS(=O)(=O)C1=CC=C(OCCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020135873	0	39	-1.0	-49.54	348.16	-0.17	-49.71
CS(=O)(=O)C1=CC=C(OCCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020135873	1	39	-1.0	-49.51	348.22	-0.15	-49.66
CCOC1=CC(N2CCOCC2)=C(OCC)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020135874	0	53	-1.0	-41.00	421.09	2.29	-38.71
CCOC1=CC(N2CCOCC2)=C(OCC)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020135874	1	53	-1.0	-41.04	421.15	2.30	-38.74
CC(CNC(=O)CCC1=N[N-]N=N1)SC1=CC=C(Br)C=C1	REAL300020135875	0	36	-1.0	-39.32	341.48	5.40	-33.92
CC(CNC(=O)CCC1=NN=N[N-]1)SC1=CC=C(Br)C=C1	REAL300020135875	1	36	-1.0	-39.30	341.54	5.42	-33.88
CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020135876	0	46	-1.0	-39.78	352.51	4.18	-35.60
CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020135876	1	46	-1.0	-39.78	352.57	4.19	-35.59
COC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(OC(F)F)=C1	REAL300020135877	0	36	-1.0	-42.45	323.88	2.92	-39.53
COC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(OC(F)F)=C1	REAL300020135877	1	36	-1.0	-42.48	323.94	2.94	-39.54
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CC1=CC=C2NC(C3CCCN3C(=O)CCC3=NN=N[N-]3)=NC2=C1	REAL300020135878	1	42	-1.0	-50.22	347.94	5.07	-45.15
CC1=CC=C2N=C(C3CCCN3C(=O)CCC3=N[N-]N=N3)NC2=C1	REAL300020135878	1	42	-1.0	-49.65	347.91	5.05	-44.60
CC1=CC=C2N=C(C3CCCN3C(=O)CCC3=NN=N[N-]3)NC2=C1	REAL300020135878	1	42	-1.0	-49.66	347.97	5.06	-44.60
CN(CCCC1=NN(C)C(C2=CC=CC=C2)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020135879	0	48	-1.0	-48.13	394.23	7.22	-40.91
CN(CCCC1=NN(C)C(C2=CC=CC=C2)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020135879	1	48	-1.0	-48.12	394.17	7.21	-40.91
O=C(CCC1=N[N-]N=N1)NCCNC(=O)C1=NC=CC=C1O	REAL300020135880	0	36	-1.0	-46.64	320.23	-2.00	-48.64
O=C(CCC1=NN=N[N-]1)NCCNC(=O)C1=NC=CC=C1O	REAL300020135880	1	36	-1.0	-46.67	320.28	-1.99	-48.66
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O=C(CCC1=NN=N[N-]1)NCCCC(=O)N1CCC2=CC=CC=C21	REAL300020135881	1	43	-1.0	-44.35	354.69	4.47	-39.88
CCN1C(=S)NN=C1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020135882	0	42	-1.0	-49.03	347.79	5.72	-43.31
CCN1C(=S)NN=C1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020135882	1	42	-1.0	-48.97	347.84	5.74	-43.23
N#CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020135883	0	33	-1.0	-42.32	313.10	4.19	-38.13
N#CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020135883	1	33	-1.0	-42.34	313.16	4.20	-38.14
N#CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020135884	0	30	-1.0	-42.12	306.27	4.17	-37.95
N#CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300020135884	1	30	-1.0	-42.14	306.33	4.19	-37.95
O=C(CCC1=N[N-]N=N1)N(CC1=CC=C2OCOC2=C1)C1CCCCC1	REAL300020135885	0	48	-1.0	-45.69	370.26	6.44	-39.25
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CC1=CC(C)=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C=C1C	REAL300020135886	0	41	-1.0	-39.16	354.06	6.42	-32.74
CC1=CC(C)=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C=C1C	REAL300020135886	1	41	-1.0	-39.18	354.12	6.43	-32.75
COC1=CC=C(OC)C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)=C1	REAL300020135887	0	40	-1.0	-42.23	351.24	3.51	-38.72
COC1=CC=C(OC)C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)=C1	REAL300020135887	1	40	-1.0	-42.25	351.18	3.49	-38.76
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=C3OCOC3=C2)=CS1	REAL300020135888	0	35	-1.0	-42.13	320.70	3.13	-39.00
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=C3OCOC3=C2)=CS1	REAL300020135888	1	35	-1.0	-42.10	320.65	3.12	-38.98
CC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C(C)=C1	REAL300020135889	0	38	-1.0	-38.89	337.08	5.88	-33.01
CC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C(C)=C1	REAL300020135889	1	38	-1.0	-38.84	337.13	5.89	-32.95
CCCCC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C=C1	REAL300020135890	0	44	-1.0	-39.02	380.48	7.48	-31.54
CCCCC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C=C1	REAL300020135890	1	44	-1.0	-39.03	380.42	7.46	-31.57
CC(C)C1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C(C(C)C)=C1	REAL300020135891	0	50	-1.0	-38.32	413.89	8.46	-29.86
CC(C)C1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C(C(C)C)=C1	REAL300020135891	1	50	-1.0	-38.30	413.95	8.48	-29.82
CC1=NN=C(COC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)O1	REAL300020135892	0	38	-1.0	-47.68	335.16	-1.23	-48.91
CC1=NN=C(COC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)O1	REAL300020135892	1	38	-1.0	-47.69	335.21	-1.21	-48.90
CC1=CC=C(C2=C(C)SC(NC(=O)CCC3=NN=N[N-]3)=N2)S1	REAL300020135893	0	35	-1.0	-39.44	326.90	4.96	-34.48
CC1=CC=C(C2=C(C)SC(NC(=O)CCC3=N[N-]N=N3)=N2)S1	REAL300020135893	1	35	-1.0	-39.43	326.84	4.95	-34.48
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C[NH+](C)C1CCN(C(C)(C)CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020135895	0	52	0.0	-60.04	375.35	2.83	-57.21
C[NH+](C)C1CCN(C(C)(C)CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020135895	1	52	0.0	-60.05	375.40	2.85	-57.20
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COC(=O)C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=NC=C1	REAL300020135897	0	40	-1.0	-45.22	341.05	3.33	-41.89
COC(=O)C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=NC=C1	REAL300020135897	1	40	-1.0	-45.22	341.11	3.35	-41.87
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CN1C(=S)NN=C1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020135899	0	39	-1.0	-49.33	331.35	5.00	-44.33
CN1C(=S)NN=C1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020135899	1	39	-1.0	-49.38	331.40	5.02	-44.36
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CC1(C)CN(C(=O)CCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020135901	0	48	0.0	-58.75	359.07	7.26	-51.49
CC1(C)CN(C(=O)CCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020135901	1	48	0.0	-58.73	358.95	7.25	-51.48
CC1(C)CN(C(=O)CCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020135901	1	48	0.0	-58.76	359.13	7.27	-51.49
CC1(C)CN(C(=O)CCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300020135901	1	48	0.0	-58.76	359.01	7.27	-51.49
CC1(C)CN(C(=O)CCC2=N[N-]N=N2)CCN1CC1=CC=CC=C1	REAL300020135901	1	47	-1.0	-38.92	356.82	5.02	-33.90
CC1(C)CN(C(=O)CCC2=NN=N[N-]2)CCN1CC1=CC=CC=C1	REAL300020135901	1	47	-1.0	-38.92	356.88	5.04	-33.88
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CCOC1=CC=CC=C1CN(CCCN1C=CN=C1)C(=O)CCC1=N[N-]N=N1	REAL300020136028	0	52	-1.0	-47.85	424.35	10.52	-37.33
CCOC1=CC=CC=C1CN(CCCN1C=CN=C1)C(=O)CCC1=NN=N[N-]1	REAL300020136028	1	52	-1.0	-47.83	424.41	10.53	-37.30
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COCCN(C(=O)CCC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL300020136030	0	39	-1.0	-45.33	324.98	-0.33	-45.66
COCCN(C(=O)CCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL300020136030	1	39	-1.0	-45.36	325.04	-0.32	-45.68
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N#CC1=CC=CC(OC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020136034	0	41	-1.0	-43.67	342.54	5.64	-38.03
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CN1C(=O)CCC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020136036	0	37	-1.0	-43.46	307.66	3.45	-40.01
CN1C(=O)CCC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020136036	1	37	-1.0	-43.49	307.72	3.47	-40.02
CC1=CC=CC(OC2=CC=CC=C2CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020136037	0	43	-1.0	-42.64	368.34	6.29	-36.35
CC1=CC=CC(OC2=CC=CC=C2CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020136037	1	43	-1.0	-42.64	368.40	6.30	-36.34
CC1CCN(C2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020136038	0	47	-1.0	-38.89	371.37	4.58	-34.31
CC1CCN(C2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020136038	1	47	-1.0	-38.90	371.43	4.59	-34.31
COC(=O)C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC(C)=C1	REAL300020136039	0	44	-1.0	-41.85	371.98	5.50	-36.35
COC(=O)C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC(C)=C1	REAL300020136039	1	44	-1.0	-41.85	372.04	5.52	-36.33
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC=C1OC1=CC=CC(F)=C1	REAL300020136040	0	40	-1.0	-43.09	353.34	5.69	-37.40
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC=C1OC1=CC=CC(F)=C1	REAL300020136040	1	40	-1.0	-43.09	353.40	5.71	-37.38
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1C1=CC=CC=C1	REAL300020136041	0	42	-1.0	-40.29	349.21	6.74	-33.55
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1C1=CC=CC=C1	REAL300020136041	1	42	-1.0	-40.32	349.26	6.76	-33.56
CNC(=O)CCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136042	0	40	-1.0	-45.20	342.48	1.16	-44.04
CNC(=O)CCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136042	1	40	-1.0	-45.17	342.54	1.19	-43.98
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)NC2=CC=C(Cl)C=C2)CC1	REAL300020136043	0	42	-1.0	-43.15	357.26	4.85	-38.30
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)NC2=CC=C(Cl)C=C2)CC1	REAL300020136043	1	42	-1.0	-43.18	357.31	4.87	-38.31
CC(C)N1C=NN=C1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020136044	0	44	-1.0	-44.60	351.22	6.54	-38.06
CC(C)N1C=NN=C1C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020136044	1	44	-1.0	-44.56	351.28	6.55	-38.01
CN1C2=CC=C(F)C=C2N=C1CCNC(=O)CCC1=N[N-]N=N1	REAL300020136045	0	38	-1.0	-46.86	332.84	3.85	-43.01
CN1C2=CC=C(F)C=C2N=C1CCNC(=O)CCC1=NN=N[N-]1	REAL300020136045	1	38	-1.0	-46.90	332.90	3.87	-43.03
CC1=CC=C(OC2=CC=CC=C2CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136046	0	43	-1.0	-42.46	367.58	6.27	-36.19
CC1=CC=C(OC2=CC=CC=C2CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136046	1	43	-1.0	-42.47	367.64	6.28	-36.19
COC(=O)C(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL300020136047	0	41	-1.0	-42.36	348.26	4.97	-37.39
COC(=O)C(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL300020136047	1	41	-1.0	-42.36	348.32	4.99	-37.37
CC1=CC=CC=C1OC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020136048	0	43	-1.0	-42.54	364.67	6.20	-36.34
CC1=CC=CC=C1OC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020136048	1	43	-1.0	-42.53	364.73	6.21	-36.32
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)CCC1=N[N-]N=N1	REAL300020136049	0	43	0.0	-56.44	348.47	5.21	-51.23
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)CCC1=NN=N[N-]1	REAL300020136049	1	43	0.0	-56.45	348.53	5.22	-51.23
COC1=CC=C(C2=NN=C(CNC(=O)CCC3=N[N-]N=N3)N2)C=C1	REAL300020136050	0	39	-1.0	-45.00	341.27	2.27	-42.73
COC1=CC=C(C2=NN=C(CNC(=O)CCC3=NN=N[N-]3)N2)C=C1	REAL300020136050	1	39	-1.0	-45.03	341.33	2.28	-42.75
CN(CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300020136051	0	52	-1.0	-42.19	396.39	5.70	-36.49
CN(CC1CCN(C(=O)CCC2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300020136051	1	52	-1.0	-42.20	396.45	5.71	-36.49
CC(C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1)N1CCOCC1	REAL300020136052	0	45	-1.0	-40.33	357.16	2.49	-37.84
CC(C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1)N1CCOCC1	REAL300020136052	1	45	-1.0	-40.34	357.22	2.51	-37.83
CC(C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1)[NH+]1CCOCC1	REAL300020136052	1	46	0.0	-64.34	357.74	4.58	-59.76
CN1C(=S)NN=C1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020136053	0	39	-1.0	-44.28	331.27	4.98	-39.30
CN1C(=S)NN=C1C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020136053	1	39	-1.0	-44.31	331.33	4.99	-39.32
CN1C(=S)[N-]N=C1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020136053	1	38	-2.0	-86.35	327.85	4.83	-81.52
CCN1C(=S)NN=C1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020136054	0	42	-1.0	-43.62	348.10	5.72	-37.90
CCN1C(=S)NN=C1C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020136054	1	42	-1.0	-43.65	348.16	5.73	-37.92
CCN1C(=S)[N-]N=C1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020136054	1	41	-2.0	-86.10	344.66	5.56	-80.54
CNS(=O)(=O)C1=CC=CC(NC(=O)CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020136055	0	41	-1.0	-52.88	367.34	-2.76	-55.64
CNS(=O)(=O)C1=CC=CC(NC(=O)CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020136055	1	41	-1.0	-52.89	367.40	-2.75	-55.64
CSCCC(NC(=O)CCC1=N[N-]N=N1)C1=NC2=CC=CC=C2N1	REAL300020136056	0	42	-1.0	-41.37	360.12	4.31	-37.06
CSCCC(NC(=O)CCC1=NN=N[N-]1)C1=NC2=CC=CC=C2N1	REAL300020136056	1	42	-1.0	-41.34	360.18	4.32	-37.02
O=C(CCC1=N[N-]N=N1)NC(COC1=CC=CC=C1)C1=CC=CC=C1	REAL300020136057	0	43	-1.0	-41.26	363.91	6.48	-34.78
O=C(CCC1=NN=N[N-]1)NC(COC1=CC=CC=C1)C1=CC=CC=C1	REAL300020136057	1	43	-1.0	-41.25	363.97	6.49	-34.76
O=C(CCC1=N[N-]N=N1)N(CC1=C(F)C=CC=C1F)C1CCCC1	REAL300020136058	0	42	-1.0	-43.08	329.56	7.04	-36.04
O=C(CCC1=NN=N[N-]1)N(CC1=C(F)C=CC=C1F)C1CCCC1	REAL300020136058	1	42	-1.0	-43.08	329.62	7.06	-36.02
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=C1OC(F)(F)F)C1CCCC1	REAL300020136059	0	46	-1.0	-43.66	368.42	8.16	-35.50
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=C1OC(F)(F)F)C1CCCC1	REAL300020136059	1	46	-1.0	-43.66	368.48	8.17	-35.49
CC1=C(C(=O)NC2=CC=C(OC(=O)CCC3=N[N-]N=N3)C=C2)SC=C1	REAL300020136060	0	39	-1.0	-42.64	351.98	6.57	-36.07
CC1=C(C(=O)NC2=CC=C(OC(=O)CCC3=NN=N[N-]3)C=C2)SC=C1	REAL300020136060	1	39	-1.0	-42.68	352.03	6.58	-36.10
N#CC1=CC=C(OC2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)C=C1	REAL300020136061	0	38	-1.0	-41.86	340.99	5.82	-36.04
N#CC1=CC=C(OC2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)C=C1	REAL300020136061	1	38	-1.0	-41.85	341.05	5.83	-36.02
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CC=CC2=NC=CC=C12	REAL300020136062	0	35	-1.0	-42.79	306.19	1.77	-41.02
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=CC=CC2=NC=CC=C12	REAL300020136062	1	35	-1.0	-42.82	306.25	1.79	-41.03
CC(C)(C)OC(=O)N1CCC(CCNC(=O)CCC2=N[N-]N=N2)C1	REAL300020136063	0	49	-1.0	-46.52	389.83	3.52	-43.00
CC(C)(C)OC(=O)N1CCC(CCNC(=O)CCC2=NN=N[N-]2)C1	REAL300020136063	1	49	-1.0	-46.54	389.89	3.53	-43.01
O=C(CCC1=NN=N[N-]1)NC1=CN(C2=CC=CC=C2Cl)N=C1	REAL300020136064	0	33	-1.0	-46.15	301.93	4.46	-41.69
O=C(CCC1=N[N-]N=N1)NC1=CN(C2=CC=CC=C2Cl)N=C1	REAL300020136064	1	33	-1.0	-46.17	301.87	4.45	-41.72
CCCCCCC(C)(NC(=O)CCC1=N[N-]N=N1)C(=O)OCC	REAL300020136065	0	49	-1.0	-43.09	389.91	5.72	-37.37
CCCCCCC(C)(NC(=O)CCC1=NN=N[N-]1)C(=O)OCC	REAL300020136065	1	49	-1.0	-43.09	389.97	5.73	-37.36
O=C(CCC1=N[N-]N=N1)N1CCCC(NS(=O)(=O)C2=CC=CC=C2)C1	REAL300020136066	0	44	-1.0	-45.07	367.43	1.96	-43.11
O=C(CCC1=NN=N[N-]1)N1CCCC(NS(=O)(=O)C2=CC=CC=C2)C1	REAL300020136066	1	44	-1.0	-45.06	367.48	1.98	-43.08
O=C(CCC1=NN=N[N-]1)NC1=NC2=C(OC(F)F)C=CC=C2S1	REAL300020136067	0	32	-1.0	-42.58	302.59	2.70	-39.88
O=C(CCC1=N[N-]N=N1)NC1=NC2=C(OC(F)F)C=CC=C2S1	REAL300020136067	1	32	-1.0	-42.54	302.53	2.68	-39.86
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(Cl)C=C1)C1CCC1	REAL300020136068	0	39	-1.0	-38.31	333.31	6.00	-32.31
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(Cl)C=C1)C1CCC1	REAL300020136068	1	39	-1.0	-38.35	333.37	6.01	-32.34
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(Cl)C=C1)C1CCCC1	REAL300020136069	0	42	-1.0	-39.19	356.41	6.95	-32.24
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(Cl)C=C1)C1CCCC1	REAL300020136069	1	42	-1.0	-39.20	356.47	6.97	-32.23
CC1(C)CN(C(CNC(=O)CCC2=N[N-]N=N2)C2=CC=C(Cl)C=C2)CCO1	REAL300020136070	0	51	-1.0	-39.33	413.23	4.31	-35.02
CC1(C)CN(C(CNC(=O)CCC2=NN=N[N-]2)C2=CC=C(Cl)C=C2)CCO1	REAL300020136070	1	51	-1.0	-39.37	413.28	4.32	-35.05
COC(=O)CCSCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020136071	0	42	-1.0	-42.84	374.84	6.19	-36.65
COC(=O)CCSCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020136071	1	42	-1.0	-42.87	374.90	6.20	-36.67
CC(C)(C)CN(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020136072	0	44	-1.0	-41.15	341.89	7.37	-33.78
CC(C)(C)CN(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020136072	1	44	-1.0	-41.17	341.94	7.38	-33.79
COC1=CC=CC=C1SCC(C)CNC(=O)CCC1=N[N-]N=N1	REAL300020136073	0	43	-1.0	-42.49	364.93	4.70	-37.79
COC1=CC=CC=C1SCC(C)CNC(=O)CCC1=NN=N[N-]1	REAL300020136073	1	43	-1.0	-42.49	364.99	4.71	-37.78
C[NH+](C)CCCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136074	0	45	0.0	-68.42	362.32	4.91	-63.51
C[NH+](C)CCCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136074	1	45	0.0	-68.43	362.38	4.93	-63.50
CSC1=CC=C(NC(=O)CN2C=C(NC(=O)CCC3=NN=N[N-]3)C=N2)C=C1	REAL300020136075	0	44	-1.0	-58.12	388.26	3.69	-54.43
CSC1=CC=C(NC(=O)CN2C=C(NC(=O)CCC3=N[N-]N=N3)C=N2)C=C1	REAL300020136075	1	44	-1.0	-58.07	388.20	3.67	-54.40
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC=C1SC1=CC=CC=C1	REAL300020136076	0	40	-1.0	-42.28	352.89	6.54	-35.74
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC=C1SC1=CC=CC=C1	REAL300020136076	1	40	-1.0	-42.29	352.95	6.56	-35.73
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(C(=O)NC2CC2)=C1	REAL300020136077	0	41	-1.0	-43.64	343.61	2.30	-41.34
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(C(=O)NC2CC2)=C1	REAL300020136077	1	41	-1.0	-43.64	343.67	2.32	-41.32
CC(C)COC1=CC=C(C(C)(C)CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136078	0	51	-1.0	-40.17	400.20	6.24	-33.93
CC(C)COC1=CC=C(C(C)(C)CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136078	1	51	-1.0	-40.17	400.26	6.26	-33.91
CCSC1=CC=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136079	0	39	-1.0	-39.59	336.74	5.40	-34.19
CCSC1=CC=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136079	1	39	-1.0	-39.61	336.79	5.41	-34.20
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020136080	0	47	0.0	-59.33	372.34	4.35	-54.98
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020136080	1	47	0.0	-59.31	372.39	4.36	-54.95
CN1CCN(C2=CC=CC=C2CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020136080	1	46	-1.0	-39.88	369.61	1.94	-37.94
CC(C)N(CCCNC(=O)CCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020136081	0	51	-1.0	-43.47	400.64	4.45	-39.02
CC(C)N(CCCNC(=O)CCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020136081	1	51	-1.0	-43.46	400.70	4.47	-38.99
CC(C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1)N1CCOCC1	REAL300020136082	0	45	-1.0	-40.06	357.07	2.59	-37.47
CC(C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1)N1CCOCC1	REAL300020136082	1	45	-1.0	-40.07	357.12	2.61	-37.46
O=C(CCC1=NN=N[N-]1)NCC1=NN=C(C2=CC=C(F)C=C2)N1	REAL300020136083	0	35	-1.0	-43.75	318.29	3.04	-40.71
O=C(CCC1=N[N-]N=N1)NCC1=NN=C(C2=CC=C(F)C=C2)N1	REAL300020136083	1	35	-1.0	-43.79	318.24	3.03	-40.76
O=C(CCC1=N[N-]N=N1)N1CCOC(C2=CC(F)=C(Cl)C=C2Cl)C1	REAL300020136084	0	37	-1.0	-38.56	342.48	5.31	-33.25
O=C(CCC1=NN=N[N-]1)N1CCOC(C2=CC(F)=C(Cl)C=C2Cl)C1	REAL300020136084	1	37	-1.0	-38.57	342.54	5.32	-33.25
CCSC1=CC=C(Cl)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020136085	0	33	-1.0	-40.21	307.97	5.09	-35.12
CCSC1=CC=C(Cl)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020136085	1	33	-1.0	-40.26	308.03	5.10	-35.16
O=C(CCC1=NN=N[N-]1)NNC(=O)C1CCN(C2=NC=CC=N2)CC1	REAL300020136086	0	43	-1.0	-44.85	358.78	2.25	-42.60
O=C(CCC1=N[N-]N=N1)NNC(=O)C1CCN(C2=NC=CC=N2)CC1	REAL300020136086	1	43	-1.0	-44.88	358.72	2.23	-42.65
CC(NC(=O)CCC1=N[N-]N=N1)C1=NC(C(C)(C)C)=CS1	REAL300020136087	0	40	-1.0	-40.13	342.12	3.04	-37.09
CC(NC(=O)CCC1=NN=N[N-]1)C1=NC(C(C)(C)C)=CS1	REAL300020136087	1	40	-1.0	-40.13	342.18	3.05	-37.08
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C(=O)N2CCCCC2)C(Cl)=C1	REAL300020136088	0	43	-1.0	-47.60	363.36	5.06	-42.54
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C(=O)N2CCCCC2)C(Cl)=C1	REAL300020136088	1	43	-1.0	-47.61	363.42	5.07	-42.54
COC1=CC=C(OC(C)C)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020136089	0	40	-1.0	-43.40	329.81	2.88	-40.52
COC1=CC=C(OC(C)C)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020136089	1	40	-1.0	-43.43	329.87	2.90	-40.53
CC(C)(C)C1=NN(C2=CC=CC=N2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020136090	0	44	-1.0	-43.21	365.66	6.87	-36.34
CC(C)(C)C1=NN(C2=CC=CC=N2)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020136090	1	44	-1.0	-43.24	365.60	6.85	-36.39
CC(C)(C)C1=CSC(CCNC(=O)CCC2=N[N-]N=N2)=N1	REAL300020136091	0	40	-1.0	-41.93	344.67	3.16	-38.77
CC(C)(C)C1=CSC(CCNC(=O)CCC2=NN=N[N-]2)=N1	REAL300020136091	1	40	-1.0	-41.94	344.72	3.18	-38.76
O=C(CCC1=N[N-]N=N1)NC(C1=NC=CS1)C1=CC=CC=C1	REAL300020136092	0	35	-1.0	-41.19	319.72	3.65	-37.54
O=C(CCC1=NN=N[N-]1)NC(C1=NC=CS1)C1=CC=CC=C1	REAL300020136092	1	35	-1.0	-41.19	319.77	3.67	-37.52
CC(NC(=O)CCC1=N[N-]N=N1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020136093	0	42	-1.0	-40.32	338.54	6.94	-33.38
CC(NC(=O)CCC1=NN=N[N-]1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020136093	1	42	-1.0	-40.31	338.59	6.95	-33.36
CCC(CC)(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020136094	0	41	-1.0	-38.77	348.29	6.67	-32.10
CCC(CC)(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300020136094	1	41	-1.0	-38.78	348.34	6.68	-32.10
CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCC1=N[N-]N=N1	REAL300020136095	0	54	-1.0	-43.56	415.54	3.45	-40.11
CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCC1=NN=N[N-]1	REAL300020136095	1	54	-1.0	-43.53	415.60	3.46	-40.07
CS(=O)(=O)C1=CC=CC=C1N1C=C(NC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020136096	0	39	-1.0	-51.16	336.79	2.30	-48.86
CS(=O)(=O)C1=CC=CC=C1N1C=C(NC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020136096	1	39	-1.0	-51.16	336.73	2.28	-48.88
CC(C)SC1=CC=C(Cl)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020136097	0	36	-1.0	-39.84	323.27	5.60	-34.24
CC(C)SC1=CC=C(Cl)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020136097	1	36	-1.0	-39.86	323.33	5.61	-34.25
CC(C)(C)OC(=O)N1CCCC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020136098	0	50	-1.0	-46.84	391.34	5.80	-41.04
CC(C)(C)OC(=O)N1CCCC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020136098	1	50	-1.0	-46.83	391.40	5.82	-41.01
CC1=C(C(C)NC(=O)CCC2=NN=N[N-]2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300020136099	0	41	-1.0	-39.09	377.43	5.56	-33.53
CC1=C(C(C)NC(=O)CCC2=N[N-]N=N2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300020136099	1	41	-1.0	-39.11	377.37	5.55	-33.56
CN(C(=O)CCC1=N[N-]N=N1)C1CCSC2=CC=C(Br)C=C21	REAL300020136100	0	37	-1.0	-39.61	330.15	7.29	-32.32
CN(C(=O)CCC1=NN=N[N-]1)C1CCSC2=CC=C(Br)C=C21	REAL300020136100	1	37	-1.0	-39.59	330.20	7.30	-32.29
COC(=O)CN1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020136101	0	49	-1.0	-44.11	392.75	2.25	-41.86
COC(=O)CN1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020136101	1	49	-1.0	-44.11	392.80	2.27	-41.84
CCCCNC(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020136102	0	45	-1.0	-45.71	357.41	3.37	-42.34
CCCCNC(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020136102	1	45	-1.0	-45.66	357.46	3.39	-42.27
CN(CC1CCN(C(=O)CCC2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020136103	0	49	-1.0	-42.43	383.71	4.89	-37.54
CN(CC1CCN(C(=O)CCC2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020136103	1	49	-1.0	-42.40	383.77	4.91	-37.49
CC(C1=CC=C(F)C=C1F)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020136104	0	44	-1.0	-39.68	355.98	5.32	-34.36
CC(C1=CC=C(F)C=C1F)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020136104	1	44	-1.0	-39.70	356.04	5.33	-34.37
COC1=CC=CC(C(C)N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020136105	0	48	-1.0	-40.80	374.54	4.28	-36.52
COC1=CC=CC(C(C)N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020136105	1	48	-1.0	-40.78	374.60	4.29	-36.49
CC[NH+]1CCN(C2CCN(C(=O)CCC3=N[N-]N=N3)C2)CC1	REAL300020136106	0	47	0.0	-63.81	354.55	3.31	-60.50
CC[NH+]1CCN(C2CCN(C(=O)CCC3=NN=N[N-]3)C2)CC1	REAL300020136106	1	47	0.0	-63.79	354.61	3.32	-60.47
COCCN(CC(=O)OC(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020136107	0	44	-1.0	-42.24	356.61	4.32	-37.92
COCCN(CC(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020136107	1	44	-1.0	-42.21	356.67	4.33	-37.88
CCCCCCCCCCCCNC(=O)CCC1=N[N-]N=N1	REAL300020136108	0	52	-1.0	-38.52	412.66	7.47	-31.05
CCCCCCCCCCCCNC(=O)CCC1=NN=N[N-]1	REAL300020136108	1	52	-1.0	-38.53	412.72	7.48	-31.05
C[NH+](C)CCNC(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136109	0	48	0.0	-72.71	393.50	3.11	-69.60
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CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020136187	1	50	0.0	-49.01	367.92	6.50	-42.51
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CC(C)C(CNC(=O)CCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020136190	1	48	-1.0	-39.99	373.21	2.11	-37.88
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CN(CC(=O)NCC1=CC=CS1)C(=O)CCC1=NN=N[N-]1	REAL300020136196	1	36	-1.0	-46.24	326.03	2.65	-43.59
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COC(=O)C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC2=CC=CC=C21	REAL300020136200	0	47	-1.0	-43.69	395.91	7.01	-36.68
COC(=O)C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC2=CC=CC=C21	REAL300020136200	1	47	-1.0	-43.67	395.96	7.03	-36.64
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CC(C)C(=O)NC1=CC=CC(OC(=O)CCC2=N[N-]N=N2)=C1	REAL300020136203	0	38	-1.0	-48.02	326.90	5.24	-42.78
CC(C)C(=O)NC1=CC=CC(OC(=O)CCC2=NN=N[N-]2)=C1	REAL300020136203	1	38	-1.0	-48.02	326.96	5.26	-42.76
CN1NC(C2=CC=CC=C2)=C2C(NC(=O)CCC3=NN=N[N-]3)=NN=C21	REAL300020136204	0	39	-1.0	-60.12	342.37	4.98	-55.14
CN1NC(C2=CC=CC=C2)=C2C(NC(=O)CCC3=N[N-]N=N3)=NN=C21	REAL300020136204	1	39	-1.0	-60.11	342.31	4.96	-55.15
COC1=CC=C2NC=C(CCNC(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020136205	0	40	-1.0	-46.52	340.54	2.81	-43.71
COC1=CC=C2NC=C(CCNC(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020136205	1	40	-1.0	-46.53	340.60	2.82	-43.71
CCC(CC1=CC=C(Cl)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020136206	0	38	-1.0	-41.59	327.94	5.59	-36.00
CCC(CC1=CC=C(Cl)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020136206	1	38	-1.0	-41.61	327.99	5.60	-36.01
COC(=O)C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC2=CC=CC=C2C=C1	REAL300020136207	0	47	-1.0	-44.18	396.64	7.09	-37.09
COC(=O)C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC2=CC=CC=C2C=C1	REAL300020136207	1	47	-1.0	-44.19	396.69	7.11	-37.08
CN(C)S(=O)(=O)C1=CC=C2CCN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020136208	0	41	-1.0	-49.21	350.66	2.83	-46.38
CN(C)S(=O)(=O)C1=CC=C2CCN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020136208	1	41	-1.0	-49.24	350.71	2.84	-46.40
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CCS(=O)(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020136209	1	35	-1.0	-46.74	314.00	1.00	-45.74
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O=C(CCC1=NN=N[N-]1)NCCN1CCN(C(=O)C2CCCCC2)CC1	REAL300020136210	1	54	-1.0	-43.39	411.44	2.67	-40.72
COCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020136211	0	39	-1.0	-39.27	344.86	3.76	-35.51
COCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020136211	1	39	-1.0	-39.28	344.92	3.77	-35.51
COC1=CC=C(C(=O)N2CCC(NC(=O)CCC3=N[N-]N=N3)CC2)C=C1OC	REAL300020136212	0	51	-1.0	-48.14	408.55	3.13	-45.01
COC1=CC=C(C(=O)N2CCC(NC(=O)CCC3=NN=N[N-]3)CC2)C=C1OC	REAL300020136212	1	51	-1.0	-48.12	408.61	3.14	-44.98
CC(C)OC1=C(Cl)C=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020136213	0	36	-1.0	-37.77	315.65	4.13	-33.64
CC(C)OC1=C(Cl)C=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020136213	1	36	-1.0	-37.76	315.71	4.14	-33.62
CN(CCOC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020136214	0	50	-1.0	-42.45	415.81	7.72	-34.73
CN(CCOC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020136214	1	50	-1.0	-42.47	415.87	7.73	-34.74
COC1=CC(F)=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020136215	0	40	-1.0	-41.92	338.22	2.81	-39.11
COC1=CC(F)=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020136215	1	40	-1.0	-41.90	338.28	2.82	-39.08
CNC(=O)CN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020136216	0	42	-1.0	-51.57	373.98	4.69	-46.88
CNC(=O)CN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020136216	1	42	-1.0	-51.58	374.03	4.70	-46.88
C[NH+](C)CCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020136217	0	42	0.0	-61.90	355.72	4.82	-57.08
C[NH+](C)CCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020136217	1	42	0.0	-61.93	355.78	4.84	-57.09
CN1CCN(S(=O)(=O)C2=CC=CC=C2CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020136218	0	49	-1.0	-49.83	397.39	1.04	-48.79
CN1CCN(S(=O)(=O)C2=CC=CC=C2CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020136218	1	49	-1.0	-49.81	397.45	1.07	-48.74
O=C(CCC1=N[N-]N=N1)NCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300020136219	0	39	-1.0	-51.42	351.28	0.53	-50.89
O=C(CCC1=NN=N[N-]1)NCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300020136219	1	39	-1.0	-51.43	351.34	0.55	-50.88
CC(=O)N(CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1)C(C)C	REAL300020136220	0	45	-1.0	-45.59	360.15	5.03	-40.56
CC(=O)N(CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1)C(C)C	REAL300020136220	1	45	-1.0	-45.59	360.20	5.05	-40.54
O=C(CCC1=N[N-]N=N1)N(CCC1=CC=C(Cl)C=C1)CC1CC1	REAL300020136221	0	42	-1.0	-40.35	364.91	8.56	-31.79
O=C(CCC1=NN=N[N-]1)N(CCC1=CC=C(Cl)C=C1)CC1CC1	REAL300020136221	1	42	-1.0	-40.32	364.97	8.58	-31.74
CCOC(=O)[C@H](CC1=CNC=N1)NC(=O)CCC1=N[N-]N=N1	REAL300020136222	0	38	-1.0	-42.33	325.69	3.01	-39.32
CCOC(=O)[C@H](CC1=CNC=N1)NC(=O)CCC1=NN=N[N-]1	REAL300020136222	1	38	-1.0	-42.33	325.73	3.02	-39.31
O=C(CCC1=N[N-]N=N1)NC(CC1=CC=CC=C1)C1=CC=CS1	REAL300020136223	0	39	-1.0	-40.60	347.08	6.64	-33.96
O=C(CCC1=NN=N[N-]1)NC(CC1=CC=CC=C1)C1=CC=CS1	REAL300020136223	1	39	-1.0	-40.60	347.13	6.66	-33.94
CC(C)C1=CC=C(CCCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136224	0	44	-1.0	-39.60	360.81	6.18	-33.42
CC(C)C1=CC=C(CCCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136224	1	44	-1.0	-39.61	360.86	6.19	-33.42
O=C(CCC1=N[N-]N=N1)NC1CCCN(CC2=CC=C(F)C=C2Cl)C1	REAL300020136225	0	44	-1.0	-42.09	375.44	4.14	-37.95
O=C(CCC1=NN=N[N-]1)NC1CCCN(CC2=CC=C(F)C=C2Cl)C1	REAL300020136225	1	44	-1.0	-42.09	375.50	4.15	-37.94
CCCOC1=CC=C(OC2CCCCC2NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136226	0	53	-1.0	-42.08	418.91	5.85	-36.23
CCCOC1=CC=C(OC2CCCCC2NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136226	1	53	-1.0	-42.09	418.97	5.86	-36.23
O=C(CCC1=N[N-]N=N1)N1CCC(OCCC2=CC=CC=C2)CC1	REAL300020136227	0	46	-1.0	-40.65	370.97	6.61	-34.04
O=C(CCC1=NN=N[N-]1)N1CCC(OCCC2=CC=CC=C2)CC1	REAL300020136227	1	46	-1.0	-40.58	371.03	6.63	-33.95
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020136228	0	43	-1.0	-45.82	348.08	2.22	-43.60
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020136228	1	43	-1.0	-45.80	348.14	2.24	-43.56
CC1=CSC(C2(NC(=O)CCC3=N[N-]N=N3)CCCC2)=N1	REAL300020136229	0	38	-1.0	-44.20	315.65	3.32	-40.88
CC1=CSC(C2(NC(=O)CCC3=NN=N[N-]3)CCCC2)=N1	REAL300020136229	1	38	-1.0	-44.20	315.71	3.33	-40.87
CC1=NC2=CC(=O)NN2C(C)=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020136230	0	38	-1.0	-46.85	324.09	0.73	-46.12
CC1=NC2=CC(=O)NN2C(C)=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020136230	1	38	-1.0	-46.87	324.03	0.71	-46.16
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020136230	1	37	-2.0	-91.85	321.12	-0.13	-91.98
CC(CNC(=O)OC(C)(C)C)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020136231	0	45	-1.0	-41.25	357.32	2.49	-38.76
CC(CNC(=O)OC(C)(C)C)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020136231	1	45	-1.0	-41.27	357.38	2.51	-38.76
CN(CC1=CC=CC=C1N1CCOCC1)C(=O)CCC1=N[N-]N=N1	REAL300020136232	0	45	-1.0	-40.33	348.89	5.54	-34.79
CN(CC1=CC=CC=C1N1CCOCC1)C(=O)CCC1=NN=N[N-]1	REAL300020136232	1	45	-1.0	-40.32	348.94	5.56	-34.76
COC1=CC(C)=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020136233	0	43	-1.0	-42.23	349.43	3.29	-38.94
COC1=CC(C)=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020136233	1	43	-1.0	-42.21	349.49	3.30	-38.91
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020136234	0	40	-1.0	-43.28	333.00	4.56	-38.72
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020136234	1	40	-1.0	-43.29	333.06	4.58	-38.71
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1NC(=O)C(C)(C)C	REAL300020136235	0	45	-1.0	-46.34	363.88	4.34	-42.00
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1NC(=O)C(C)(C)C	REAL300020136235	1	45	-1.0	-46.32	363.94	4.36	-41.96
NS(=O)(=O)C1=CC=C2CCN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020136236	0	35	-1.0	-50.48	310.14	-0.26	-50.74
NS(=O)(=O)C1=CC=C2CCN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020136236	1	35	-1.0	-50.48	310.20	-0.24	-50.72
CC1=CC=NC(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)=N1	REAL300020136237	0	37	-1.0	-44.70	322.52	4.50	-40.20
CC1=CC=NC(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)=N1	REAL300020136237	1	37	-1.0	-44.69	322.46	4.49	-40.20
CC1=CC=NC(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)=N1	REAL300020136238	0	37	-1.0	-47.91	322.59	4.51	-43.40
CC1=CC=NC(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)=N1	REAL300020136238	1	37	-1.0	-47.94	322.53	4.50	-43.44
COC(=O)N(C)CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136239	0	40	-1.0	-48.10	343.46	3.57	-44.53
COC(=O)N(C)CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136239	1	40	-1.0	-48.15	343.51	3.58	-44.57
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300020136240	0	49	0.0	-64.74	389.37	5.67	-59.07
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300020136240	1	49	0.0	-64.75	389.43	5.68	-59.07
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(OC2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300020136241	0	39	-1.0	-41.93	348.52	6.09	-35.84
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(OC2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300020136241	1	39	-1.0	-41.97	348.57	6.10	-35.87
CCN(C(=O)CCC1=N[N-]N=N1)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300020136242	0	41	-1.0	-41.48	339.22	6.81	-34.67
CCN(C(=O)CCC1=NN=N[N-]1)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300020136242	1	41	-1.0	-41.45	339.28	6.83	-34.62
CN1C2=CC=CC=C2N=C1CCCNC(=O)CCC1=N[N-]N=N1	REAL300020136243	0	41	-1.0	-46.37	347.01	4.53	-41.84
CN1C2=CC=CC=C2N=C1CCCNC(=O)CCC1=NN=N[N-]1	REAL300020136243	1	41	-1.0	-46.39	347.07	4.55	-41.84
CC1=CC=CC(NCC2CCCN2C(=O)CCC2=N[N-]N=N2)=N1	REAL300020136244	0	43	-1.0	-42.58	349.66	4.44	-38.14
CC1=CC=CC(NCC2CCCN2C(=O)CCC2=N[N-]N=N2)=[NH+]1	REAL300020136244	1	44	0.0	-52.55	352.62	4.89	-47.66
CC1=CC=CC(NCC2CCCN2C(=O)CCC2=NN=N[N-]2)=N1	REAL300020136244	1	43	-1.0	-42.60	349.72	4.46	-38.14
CC1=CC=CC(NCC2CCCN2C(=O)CCC2=NN=N[N-]2)=[NH+]1	REAL300020136244	1	44	0.0	-52.56	352.68	4.90	-47.66
O=C(CCC1=N[N-]N=N1)NCCCC1=CC=C(Br)C=C1F	REAL300020136245	0	35	-1.0	-40.54	327.34	4.90	-35.64
O=C(CCC1=NN=N[N-]1)NCCCC1=CC=C(Br)C=C1F	REAL300020136245	1	35	-1.0	-40.56	327.40	4.92	-35.64
COC1=CC=C(CCN(CC(C)C)C(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020136246	0	52	-1.0	-44.64	410.44	6.93	-37.71
COC1=CC=C(CCN(CC(C)C)C(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020136246	1	52	-1.0	-44.60	410.50	6.95	-37.65
COCCCN(CCC1=CC=C(OC)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020136247	0	49	-1.0	-44.24	401.83	5.63	-38.61
COCCCN(CCC1=CC=C(OC)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020136247	1	49	-1.0	-44.24	401.89	5.65	-38.59
N#CC1CN(C(=O)CCC2=N[N-]N=N2)CCN1CC1=CC=CC=C1	REAL300020136248	0	42	-1.0	-39.36	345.85	4.00	-35.36
N#CC1CN(C(=O)CCC2=NN=N[N-]2)CCN1CC1=CC=CC=C1	REAL300020136248	1	42	-1.0	-39.35	345.91	4.01	-35.34
CCC1CCC[N@@H+](C(C)(C)CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020136249	0	50	0.0	-55.54	361.04	5.20	-50.34
CCC1CCC[N@H+](C(C)(C)CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020136249	1	50	0.0	-55.88	360.67	5.20	-50.68
CCC1CCC[N@@H+](C(C)(C)CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020136249	1	50	0.0	-55.54	361.10	5.21	-50.33
CCC1CCC[N@H+](C(C)(C)CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020136249	1	50	0.0	-55.90	360.73	5.21	-50.69
CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020136250	0	52	-1.0	-44.09	413.70	1.45	-42.64
CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020136250	1	52	-1.0	-44.13	413.76	1.47	-42.66
O=C(CCC1=N[N-]N=N1)NC1CCN(C2=CC=CC=C2OC(F)F)C1	REAL300020136251	0	42	-1.0	-42.55	351.40	2.26	-40.29
O=C(CCC1=NN=N[N-]1)NC1CCN(C2=CC=CC=C2OC(F)F)C1	REAL300020136251	1	42	-1.0	-42.59	351.46	2.28	-40.31
CN(C(=O)CCC1=N[N-]N=N1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300020136252	0	45	0.0	-66.09	361.83	5.99	-60.10
CN(C(=O)CCC1=NN=N[N-]1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300020136252	1	45	0.0	-66.11	361.89	6.00	-60.11
CN(CC1=CC=CC=C1Br)C(=O)CCNC(=O)CCC1=N[N-]N=N1	REAL300020136253	0	42	-1.0	-48.78	371.87	5.08	-43.70
CN(CC1=CC=CC=C1Br)C(=O)CCNC(=O)CCC1=NN=N[N-]1	REAL300020136253	1	42	-1.0	-48.80	371.93	5.09	-43.71
CN(C(=O)CCC1=N[N-]N=N1)C1CCN(C2=CC=CC=C2Cl)C1=O	REAL300020136254	0	40	-1.0	-47.90	349.31	6.02	-41.88
CN(C(=O)CCC1=NN=N[N-]1)C1CCN(C2=CC=CC=C2Cl)C1=O	REAL300020136254	1	40	-1.0	-47.87	349.36	6.04	-41.83
CC(C)CC(CNC(=O)OC(C)(C)C)NC(=O)CCC1=N[N-]N=N1	REAL300020136255	0	51	-1.0	-40.62	392.78	2.45	-38.17
CC(C)CC(CNC(=O)OC(C)(C)C)NC(=O)CCC1=NN=N[N-]1	REAL300020136255	1	51	-1.0	-40.60	392.84	2.46	-38.14
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC1CCOCC1	REAL300020136256	0	46	-1.0	-43.43	362.40	6.41	-37.02
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC1CCOCC1	REAL300020136256	1	46	-1.0	-43.43	362.46	6.43	-37.00
CC(C)(C)N1N=CC2=C1N=C(NNC(=O)CCC1=N[N-]N=N1)NC2=O	REAL300020136257	0	42	-1.0	-41.63	357.86	3.61	-38.02
CC(C)(C)N1N=CC2=C1N=C(NNC(=O)CCC1=NN=N[N-]1)NC2=O	REAL300020136257	1	42	-1.0	-41.66	357.91	3.63	-38.03
O=C(CCC1=N[N-]N=N1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	REAL300020136258	0	32	-1.0	-39.60	290.46	3.76	-35.84
O=C(CCC1=NN=N[N-]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	REAL300020136258	1	32	-1.0	-39.61	290.52	3.77	-35.84
CN(C(=O)CCC1=N[N-]N=N1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300020136259	0	43	-1.0	-45.57	346.87	5.56	-40.01
CN(C(=O)CCC1=NN=N[N-]1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300020136259	1	43	-1.0	-45.62	346.93	5.57	-40.05
CC(C)(C)OC(=O)N1CCC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2C1	REAL300020136260	0	50	-1.0	-43.34	397.41	5.76	-37.58
CC(C)(C)OC(=O)N1CCC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2C1	REAL300020136260	1	50	-1.0	-43.37	397.46	5.78	-37.59
CC(C)(C)OC(=O)NCC(NC(=O)CCC1=N[N-]N=N1)C1CCCCC1	REAL300020136261	0	55	-1.0	-40.78	414.79	3.82	-36.96
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COC1=CC=C(C(C)CCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136346	0	42	-1.0	-41.02	344.35	3.89	-37.13
COC1=CC=C(C(C)CCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136346	1	42	-1.0	-41.06	344.40	3.90	-37.16
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C#CCN(C(=O)CCC1=NN=N[N-]1)C1CCOC2=CC=C(Br)C=C21	REAL300020136418	1	39	-1.0	-40.99	342.76	6.57	-34.42
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CC(C)(C)OC(=O)NCC1(NC(=O)CCC2=NN=N[N-]2)CCCC1	REAL300020136420	1	49	-1.0	-44.55	380.95	2.32	-42.23
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CC1=C(CNC(=O)CCC2=NN=N[N-]2)OC2=CC=C(F)C=C21	REAL300020136421	1	35	-1.0	-39.85	312.34	3.92	-35.93
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020136422	0	48	0.0	-62.42	370.23	6.44	-55.98
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020136422	1	48	0.0	-62.45	370.29	6.46	-55.99
CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)CCC1=N[N-]N=N1	REAL300020136423	0	51	-1.0	-40.12	386.02	2.56	-37.56
CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)CCC1=NN=N[N-]1	REAL300020136423	1	51	-1.0	-40.16	386.08	2.57	-37.59
CCC(C(=O)NNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020136424	0	39	-1.0	-40.84	332.51	3.26	-37.58
CCC(C(=O)NNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020136424	1	39	-1.0	-40.87	332.57	3.28	-37.59
COCCN(CC1=CC=C2OCOC2=C1)C(=O)CCC1=N[N-]N=N1	REAL300020136425	0	42	-1.0	-49.80	349.83	3.81	-45.99
COCCN(CC1=CC=C2OCOC2=C1)C(=O)CCC1=NN=N[N-]1	REAL300020136425	1	42	-1.0	-49.86	349.89	3.82	-46.04
CC1=NC2=CC=CC=C2N1CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1Cl	REAL300020136426	0	45	-1.0	-46.65	384.68	7.66	-38.99
CC1=NC2=CC=CC=C2N1CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1Cl	REAL300020136426	1	45	-1.0	-46.64	384.74	7.67	-38.97
COC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020136427	0	32	-1.0	-44.08	299.01	3.62	-40.46
COC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020136427	1	32	-1.0	-44.06	299.07	3.64	-40.42
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O=C(CCC1=NN=N[N-]1)NC1=CC=CC(CSC2CCCCC2)=C1	REAL300020136429	1	46	-1.0	-39.67	379.05	7.92	-31.75
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020136430	0	38	-1.0	-50.87	327.88	1.55	-49.32
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020136430	1	38	-1.0	-50.91	327.94	1.56	-49.35
CC1=CC=C(C(=O)NCCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020136431	0	39	-1.0	-44.38	335.56	1.82	-42.56
CC1=CC=C(C(=O)NCCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136431	1	39	-1.0	-44.32	335.62	1.83	-42.49
CC1=CC=CC=C1COC1=C(C)C=C(CN(C)C(=O)CCC2=N[N-]N=N2)C=C1C	REAL300020136432	0	55	-1.0	-43.35	446.31	10.40	-32.95
CC1=CC=CC=C1COC1=C(C)C=C(CN(C)C(=O)CCC2=NN=N[N-]2)C=C1C	REAL300020136432	1	55	-1.0	-43.39	446.37	10.42	-32.97
COC1=CC=CC=C1N1CCCC(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020136433	0	45	-1.0	-42.26	356.89	2.85	-39.41
COC1=CC=CC=C1N1CCCC(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020136433	1	45	-1.0	-42.28	356.95	2.86	-39.42
CCOC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1OC	REAL300020136434	0	40	-1.0	-41.76	338.19	2.81	-38.95
CCOC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1OC	REAL300020136434	1	40	-1.0	-41.79	338.24	2.83	-38.96
COC1=CC=C(C2(CNC(=O)CCC3=N[N-]N=N3)CCCCC2)C=C1OC	REAL300020136435	0	53	-1.0	-43.52	402.36	5.28	-38.24
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CC(C)CC(C)OC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=N1	REAL300020136436	1	47	-1.0	-40.46	386.20	3.37	-37.09
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CC1=CC=C(COC2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)C=C1	REAL300020136438	0	43	-1.0	-44.93	364.44	6.53	-38.40
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C[NH+](C)CCCOC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020136448	0	45	0.0	-67.02	362.57	4.91	-62.11
C[NH+](C)CCCOC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020136448	1	45	0.0	-67.01	362.63	4.92	-62.09
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COC(=O)CCCOC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020136450	1	45	-1.0	-44.91	385.96	4.55	-40.36
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CC1CCCC[N@@H+]1CC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020136452	0	51	0.0	-57.90	362.18	6.83	-51.07
CC1CCCC[N@H+]1CC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020136452	1	51	0.0	-57.87	362.23	6.84	-51.03
CC1CCCC[N@@H+]1CC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020136452	1	51	0.0	-57.91	362.24	6.85	-51.06
CC1CCCC[N@H+]1CC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020136452	1	51	0.0	-57.83	362.28	6.85	-50.98
O=C(CCC1=NN=N[N-]1)NC1=CC=C2C(=C1)CCN2C(=O)C1=CC=CN=C1	REAL300020136453	0	43	-1.0	-46.18	357.09	4.48	-41.70
O=C(CCC1=N[N-]N=N1)NC1=CC=C2C(=C1)CCN2C(=O)C1=CC=CN=C1	REAL300020136453	1	43	-1.0	-46.13	357.04	4.47	-41.66
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)NC2=CC=C(F)C(Cl)=C2)CC1	REAL300020136454	0	43	-1.0	-46.22	371.12	5.30	-40.92
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)NC2=CC=C(F)C(Cl)=C2)CC1	REAL300020136454	1	43	-1.0	-46.23	371.18	5.32	-40.91
CC(C)CC(C)(CNC(=O)OC(C)(C)C)NC(=O)CCC1=N[N-]N=N1	REAL300020136455	0	54	-1.0	-40.01	397.78	5.10	-34.91
CC(C)CC(C)(CNC(=O)OC(C)(C)C)NC(=O)CCC1=NN=N[N-]1	REAL300020136455	1	54	-1.0	-39.99	397.84	5.12	-34.87
CCOCCCN(CC(C)C(=O)OC)C(=O)CCC1=N[N-]N=N1	REAL300020136456	0	47	-1.0	-43.74	380.82	4.74	-39.00
CCOCCCN(CC(C)C(=O)OC)C(=O)CCC1=NN=N[N-]1	REAL300020136456	1	47	-1.0	-43.75	380.88	4.76	-38.99
CC1=C(C(C)NC(=O)CCC2=NN=N[N-]2)SC(C2=CC=C(C)C=C2)=N1	REAL300020136457	0	44	-1.0	-40.41	382.10	5.72	-34.69
CC1=C(C(C)NC(=O)CCC2=N[N-]N=N2)SC(C2=CC=C(C)C=C2)=N1	REAL300020136457	1	44	-1.0	-40.43	382.04	5.70	-34.73
CC1CCC(OC2=CC(CNC(=O)CCC3=N[N-]N=N3)=CC=N2)CC1	REAL300020136458	0	48	-1.0	-40.21	389.13	3.79	-36.42
CC1CCC(OC2=CC(CNC(=O)CCC3=NN=N[N-]3)=CC=N2)CC1	REAL300020136458	1	48	-1.0	-40.21	389.19	3.81	-36.40
O=C(CCC1=N[N-]N=N1)NCCCOC1CCCC2=CC=CC=C21	REAL300020136459	0	46	-1.0	-40.99	373.43	5.36	-35.63
O=C(CCC1=NN=N[N-]1)NCCCOC1CCCC2=CC=CC=C21	REAL300020136459	1	46	-1.0	-41.02	373.49	5.38	-35.64
CCC(C#N)OC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020136460	0	40	-1.0	-42.61	348.31	4.05	-38.56
CCC(C#N)OC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020136460	1	40	-1.0	-42.64	348.37	4.06	-38.58
NC(=O)C1C2=CC=CC=C2CCN1C(=O)CCC1=N[N-]N=N1	REAL300020136461	0	37	-1.0	-45.85	303.80	2.14	-43.71
NC(=O)C1C2=CC=CC=C2CCN1C(=O)CCC1=NN=N[N-]1	REAL300020136461	1	37	-1.0	-45.80	303.85	2.16	-43.64
O=C(CCC1=N[N-]N=N1)NCCS(=O)(=O)NCC1CCCCO1	REAL300020136462	0	44	-1.0	-50.54	372.75	-2.14	-52.68
O=C(CCC1=NN=N[N-]1)NCCS(=O)(=O)NCC1CCCCO1	REAL300020136462	1	44	-1.0	-50.57	372.80	-2.13	-52.70
CN(CC1=CSC=N1)CC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020136463	0	43	-1.0	-43.00	370.25	3.06	-39.94
CN(CC1=CSC=N1)CC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020136463	1	43	-1.0	-43.00	370.30	3.07	-39.93
O=C(CCC1=N[N-]N=N1)NCCCC(=O)N1CC2=CC=CC=C2C1	REAL300020136464	0	43	-1.0	-45.42	362.98	4.16	-41.26
O=C(CCC1=NN=N[N-]1)NCCCC(=O)N1CC2=CC=CC=C2C1	REAL300020136464	1	43	-1.0	-45.37	363.04	4.18	-41.19
CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2NC(=O)CCC2=N[N-]N=N2)C1	REAL300020136465	0	50	-1.0	-42.88	393.71	5.97	-36.91
CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2NC(=O)CCC2=NN=N[N-]2)C1	REAL300020136465	1	50	-1.0	-42.93	393.76	5.98	-36.95
O=C(CCC1=N[N-]N=N1)NCC1=NC(C2=CC=NC=C2)=NO1	REAL300020136466	0	33	-1.0	-40.83	303.64	-0.44	-41.27
O=C(CCC1=NN=N[N-]1)NCC1=NC(C2=CC=NC=C2)=NO1	REAL300020136466	1	33	-1.0	-40.82	303.69	-0.43	-41.25
CC(C)(CCCC1=CC=CC=C1)CNC(=O)CCC1=N[N-]N=N1	REAL300020136467	0	47	-1.0	-39.54	372.19	6.96	-32.58
CC(C)(CCCC1=CC=CC=C1)CNC(=O)CCC1=NN=N[N-]1	REAL300020136467	1	47	-1.0	-39.53	372.24	6.98	-32.55
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C=C1OCC(F)(F)F	REAL300020136468	0	33	-1.0	-40.07	307.34	3.47	-36.60
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C=C1OCC(F)(F)F	REAL300020136468	1	33	-1.0	-40.07	307.40	3.48	-36.59
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(NC(=O)C2=CC=NC=C2)C=C1	REAL300020136469	0	45	-1.0	-46.40	382.36	3.79	-42.61
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CCCN(C(=O)CCC1=NN=N[N-]1)C1CC(OCC)C12CCCCC2	REAL300020137007	1	55	-1.0	-41.27	389.33	7.55	-33.72
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CCOC1CC(N(C)C(=O)CCC2=NN=N[N-]2)C12CCCCC2	REAL300020137008	1	49	-1.0	-42.19	351.82	6.01	-36.18
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NC(=O)C1=CC=CC=C1OC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020137014	0	41	-1.0	-51.63	351.92	3.34	-48.29
NC(=O)C1=CC=CC=C1OC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020137014	1	41	-1.0	-51.64	351.98	3.35	-48.29
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O=C(CCC1=NN=N[N-]1)N1CC(CC2=C(F)C=CC=C2F)C1	REAL300020137015	1	36	-1.0	-41.95	318.37	5.77	-36.18
CN(C(=O)CCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020137016	0	39	-1.0	-41.41	327.84	7.73	-33.68
CN(C(=O)CCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020137016	1	39	-1.0	-41.41	327.89	7.74	-33.67
COCCNC(=O)CN1C=C(NC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020137017	0	40	-1.0	-54.48	347.85	-1.17	-55.65
COCCNC(=O)CN1C=C(NC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020137017	1	40	-1.0	-54.47	347.79	-1.18	-55.65
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CCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020137020	0	48	-1.0	-40.76	386.34	5.67	-35.09
CCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020137020	1	48	-1.0	-40.77	386.40	5.69	-35.08
CC1=CC=C(CCN(CC2=CC=CO2)C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020137021	0	45	-1.0	-42.57	375.36	8.17	-34.40
CC1=CC=C(CCN(CC2=CC=CO2)C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020137021	1	45	-1.0	-42.63	375.41	8.19	-34.44
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COC1=CC=CC=C1C1=CC=C(C(C)N(C)C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020137023	0	49	-1.0	-43.18	392.22	8.04	-35.14
COC1=CC=CC=C1C1=CC=C(C(C)N(C)C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020137023	1	49	-1.0	-43.20	392.28	8.05	-35.15
CC1CN(C(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2N(C)C1=O	REAL300020137024	0	40	-1.0	-44.05	326.15	5.25	-38.80
CC1CN(C(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2N(C)C1=O	REAL300020137024	1	40	-1.0	-44.04	326.21	5.26	-38.78
CNS(=O)(=O)C1=CC=C2CCN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020137025	0	38	-1.0	-50.14	332.52	0.96	-49.18
CNS(=O)(=O)C1=CC=C2CCN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020137025	1	38	-1.0	-50.17	332.58	0.97	-49.20
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O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300020137026	1	29	-1.0	-37.65	291.89	4.22	-33.43
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CC=CC(Br)=C1	REAL300020137027	0	30	-1.0	-40.96	291.69	2.02	-38.94
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=CC=CC(Br)=C1	REAL300020137027	1	30	-1.0	-40.94	291.75	2.04	-38.90
COC1=CC=C(OC(C)CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020137028	0	40	-1.0	-41.79	334.92	2.16	-39.63
COC1=CC=C(OC(C)CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020137028	1	40	-1.0	-41.83	334.98	2.18	-39.65
CSC1=CC=CC(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=C(F)C(F)=C2)=C1	REAL300020137029	0	43	-1.0	-43.03	385.42	7.87	-35.16
CSC1=CC=CC(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=C(F)C(F)=C2)=C1	REAL300020137029	1	43	-1.0	-43.00	385.48	7.89	-35.11
COC(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=C(OC)C(OC)=C1	REAL300020137030	0	40	-1.0	-44.84	348.19	2.65	-42.19
COC(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=C(OC)C(OC)=C1	REAL300020137030	1	40	-1.0	-44.81	348.24	2.67	-42.14
CCNS(=O)(=O)C1=CC=C2CCN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020137031	0	41	-1.0	-49.86	353.55	1.81	-48.05
CCNS(=O)(=O)C1=CC=C2CCN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020137031	1	41	-1.0	-49.85	353.61	1.83	-48.02
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COC1=CC(N2CCC(CNC(=O)CCC3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020137676	1	49	-1.0	-43.06	391.70	1.63	-41.43
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COC(=O)C(COC1CCC1)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020137678	1	42	-1.0	-40.95	343.96	4.28	-36.67
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CCCCN1CCC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C21	REAL300020137684	0	44	-1.0	-42.91	354.07	4.73	-38.18
CCCCN1CCC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C21	REAL300020137684	1	44	-1.0	-42.90	354.12	4.74	-38.16
C[NH+](C)CC1CN(C(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020137685	0	43	0.0	-62.88	338.05	5.59	-57.29
C[NH+](C)CC1CN(C(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020137685	1	43	0.0	-62.91	338.10	5.61	-57.30
CC1=CC(C2=NOC(C(C)NC(=O)CCC3=NN=N[N-]3)=N2)=CC=C1F	REAL300020137686	0	40	-1.0	-39.40	355.56	2.85	-36.55
CC1=CC(C2=NOC(C(C)NC(=O)CCC3=N[N-]N=N3)=N2)=CC=C1F	REAL300020137686	1	40	-1.0	-39.39	355.51	2.83	-36.56
CC1=C(C2=CC=C(Br)C=C2)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020137687	0	35	-1.0	-38.61	334.01	5.64	-32.97
CC1=C(C2=CC=C(Br)C=C2)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020137687	1	35	-1.0	-38.59	333.95	5.62	-32.97
CCCCNC1=CC=C(S(=O)(=O)N(C)C)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020137688	0	51	-1.0	-46.11	423.99	2.01	-44.10
CCCCNC1=CC=C(S(=O)(=O)N(C)C)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020137688	1	51	-1.0	-46.11	424.05	2.03	-44.08
COC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C=C1Cl	REAL300020137689	0	36	-1.0	-41.55	340.06	4.32	-37.23
COC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C=C1Cl	REAL300020137689	1	36	-1.0	-41.51	340.00	4.31	-37.20
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CC(=O)NC1=CC=C(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)C(F)=C1	REAL300020137691	0	39	-1.0	-44.96	353.98	3.35	-41.61
CC(=O)NC1=CC=C(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)C(F)=C1	REAL300020137691	1	39	-1.0	-44.95	353.92	3.34	-41.61
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300020137692	0	35	-1.0	-40.88	333.69	5.49	-35.39
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300020137692	1	35	-1.0	-40.83	333.64	5.47	-35.36
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=CC(Cl)=C2)=CS1	REAL300020137693	0	32	-1.0	-37.99	311.33	5.00	-32.99
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=CC(Cl)=C2)=CS1	REAL300020137693	1	32	-1.0	-37.99	311.27	4.98	-33.01
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=C(F)C=CC=C2F)=CS1	REAL300020137694	0	32	-1.0	-42.21	302.35	4.71	-37.50
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=C(F)C=CC=C2F)=CS1	REAL300020137694	1	32	-1.0	-42.19	302.30	4.70	-37.49
COC1=CC=C(F)C=C1C1=CSC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020137695	0	36	-1.0	-40.64	328.19	4.28	-36.36
COC1=CC=C(F)C=C1C1=CSC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020137695	1	36	-1.0	-40.62	328.13	4.27	-36.35
CCCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020137696	0	38	-1.0	-39.56	321.23	5.05	-34.51
CCCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020137696	1	38	-1.0	-39.56	321.29	5.07	-34.49
COC1=CC=C(OC(F)F)C(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020137697	0	37	-1.0	-41.97	325.26	1.59	-40.38
COC1=CC=C(OC(F)F)C(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020137697	1	37	-1.0	-41.98	325.31	1.61	-40.37
O=C(CCC1=N[N-]N=N1)NCC1=CC([N+](=O)[O-])=CC=C1Cl	REAL300020137698	0	31	-1.0	-41.16	300.20	3.82	-37.34
O=C(CCC1=NN=N[N-]1)NCC1=CC([N+](=O)[O-])=CC=C1Cl	REAL300020137698	1	31	-1.0	-41.16	300.26	3.83	-37.33
CCC(C)OC1=CC(C)=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020137699	0	45	-1.0	-41.01	367.96	5.07	-35.94
CCC(C)OC1=CC(C)=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020137699	1	45	-1.0	-41.04	368.02	5.09	-35.95
CC(C)C[C@H](NC(=O)CCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020137700	0	46	-1.0	-38.87	361.57	4.68	-34.19
CC(C)C[C@H](NC(=O)CCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020137700	1	46	-1.0	-38.89	361.62	4.70	-34.19
CC(NC(=O)CCC1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2)=N1	REAL300020137701	0	37	-1.0	-41.26	328.87	1.98	-39.28
CC(NC(=O)CCC1=N[N-]N=N1)C1=NOC(C2=CC=CC=C2)=N1	REAL300020137701	1	37	-1.0	-41.26	328.81	1.96	-39.30
CCCNC1=CC=C(Cl)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020137702	0	37	-1.0	-40.31	323.68	3.76	-36.55
CCCNC1=CC=C(Cl)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020137702	1	37	-1.0	-40.29	323.74	3.77	-36.52
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=C(O)C=C2)=CS1	REAL300020137703	0	33	-1.0	-40.40	305.55	1.61	-38.79
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=C(O)C=C2)=CS1	REAL300020137703	1	33	-1.0	-40.37	305.60	1.62	-38.75
CCNC1=CC=C(S(=O)(=O)C(F)F)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020137704	0	40	-1.0	-46.99	359.31	0.42	-46.57
CCNC1=CC=C(S(=O)(=O)C(F)F)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020137704	1	40	-1.0	-46.91	359.37	0.44	-46.47
COCCNC1=CC=C(S(C)(=O)=O)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020137705	0	44	-1.0	-49.58	379.73	-0.91	-50.49
COCCNC1=CC=C(S(C)(=O)=O)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020137705	1	44	-1.0	-49.53	379.78	-0.89	-50.42
CNS(=O)(=O)C1=CC=C(NCCOC)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020137706	0	46	-1.0	-47.74	395.63	-2.27	-50.01
CNS(=O)(=O)C1=CC=C(NCCOC)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020137706	1	46	-1.0	-47.79	395.69	-2.26	-50.05
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300020137707	0	26	-2.0	-91.76	272.16	0.72	-91.04
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300020137707	1	26	-2.0	-91.77	272.21	0.74	-91.03
O=C(CCC1=N[N-]N=N1)NC1CCN(C(=O)CCC2=CC=CC=C2)C1	REAL300020137708	0	46	-1.0	-43.99	383.43	5.06	-38.93
O=C(CCC1=NN=N[N-]1)NC1CCN(C(=O)CCC2=CC=CC=C2)C1	REAL300020137708	1	46	-1.0	-43.97	383.49	5.08	-38.89
O=C(CCC1=N[N-]N=N1)NC1=CC=CN(CC(F)(F)F)C1=O	REAL300020137709	0	32	-1.0	-54.59	296.38	3.44	-51.15
O=C(CCC1=NN=N[N-]1)NC1=CC=CN(CC(F)(F)F)C1=O	REAL300020137709	1	32	-1.0	-54.53	296.45	3.45	-51.08
CCCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020137710	0	48	-1.0	-40.90	393.78	5.99	-34.91
CCCCCOC1=CC(C)=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020137710	1	48	-1.0	-40.94	393.84	6.00	-34.94
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020137711	0	38	-1.0	-47.26	335.70	1.11	-46.15
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020137711	1	38	-1.0	-47.29	335.76	1.12	-46.17
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL300020137712	0	35	-1.0	-44.92	313.45	3.82	-41.10
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL300020137712	1	35	-1.0	-44.95	313.51	3.83	-41.12
COCCOCCN(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020137713	0	46	-1.0	-41.10	377.55	4.97	-36.13
COCCOCCN(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020137713	1	46	-1.0	-41.09	377.61	4.99	-36.10
O=C(CCC1=N[N-]N=N1)N(CCC1=CC=CC(F)=C1)C1CCCC1	REAL300020137714	0	45	-1.0	-42.44	360.32	8.18	-34.26
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CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020137969	0	47	0.0	-67.81	365.98	4.63	-63.18
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COC1=CC=C(S(=O)(=O)N2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020138032	0	48	-1.0	-44.13	383.03	2.92	-41.21
COC1=CC=C(S(=O)(=O)N2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020138032	1	48	-1.0	-44.13	383.06	2.92	-41.21
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CC(C)OC1=CC(CN(C(=O)CCC2=NN=N[N-]2)C2CC2)=CC=N1	REAL300020138033	1	45	-1.0	-40.50	366.77	4.69	-35.81
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CC(C)C(NC(=O)CCC1=NN=N[N-]1)C1=NC(C2=NNC=N2)=NO1	REAL300020138034	1	39	-1.0	-47.38	339.78	0.51	-46.87
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COCCCOC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138040	0	43	-1.0	-42.05	364.12	2.79	-39.26
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CC1CC[NH+](C2CCC(NC(=O)CCC3=NN=N[N-]3)CC2)CC1	REAL300020138042	1	51	0.0	-62.46	375.58	5.86	-56.60
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COC1=CC=CC(C(C)(C)CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138045	0	42	-1.0	-40.52	336.77	3.82	-36.70
COC1=CC=CC(C(C)(C)CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138045	1	42	-1.0	-40.59	336.82	3.83	-36.76
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2OC)C=C1	REAL300020138046	0	47	-1.0	-43.56	391.00	5.62	-37.94
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2OC)C=C1	REAL300020138046	1	47	-1.0	-43.56	391.05	5.64	-37.92
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O=C(CCC1=NN=N[N-]1)N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020138047	1	37	-1.0	-41.60	326.14	5.14	-36.46
CCOC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC(Cl)=C2)C=C1	REAL300020138048	0	46	-1.0	-41.15	400.60	7.48	-33.67
CCOC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC(Cl)=C2)C=C1	REAL300020138048	1	46	-1.0	-41.15	400.66	7.49	-33.66
COC1=CC=CC=C1NC(=O)CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020138049	0	49	-1.0	-45.74	391.54	2.04	-43.70
COC1=CC=CC=C1NC(=O)CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020138049	1	49	-1.0	-45.72	391.60	2.06	-43.66
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CN(CC(C)(C)CN1CCOCC1)C(=O)CCC1=N[N-]N=N1	REAL300020138052	0	47	-1.0	-40.45	346.96	2.74	-37.71
CN(CC(C)(C)CN1CCOCC1)C(=O)CCC1=NN=N[N-]1	REAL300020138052	1	47	-1.0	-40.49	347.01	2.76	-37.73
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCC1=N[N-]N=N1	REAL300020138052	1	48	0.0	-63.29	342.65	4.18	-59.11
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCC1=NN=N[N-]1	REAL300020138052	1	48	0.0	-63.33	342.70	4.20	-59.13
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CCOC(=O)CCC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020138054	0	44	-1.0	-41.27	352.07	5.80	-35.47
CCOC(=O)CCC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020138054	1	44	-1.0	-41.25	352.12	5.81	-35.44
CC(C)C[N@@H+]1CC2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2C1	REAL300020138055	0	45	0.0	-64.36	354.00	6.26	-58.10
CC(C)C[N@H+]1CC2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2C1	REAL300020138055	1	45	0.0	-65.19	351.26	6.21	-58.98
CC(C)C[N@@H+]1CC2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2C1	REAL300020138055	1	45	0.0	-64.38	354.06	6.28	-58.10
CC(C)C[N@H+]1CC2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2C1	REAL300020138055	1	45	0.0	-65.20	351.32	6.23	-58.97
CC(C)CN1CC2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2C1	REAL300020138055	1	44	-1.0	-39.26	351.01	3.83	-35.43
CC(C)CN1CC2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2C1	REAL300020138055	1	44	-1.0	-39.26	351.07	3.85	-35.41
COC(=O)C1=C2N=C(NC(=O)CCC3=N[N-]N=N3)NC2=CC=C1	REAL300020138056	0	35	-1.0	-46.07	311.37	4.78	-41.29
COC(=O)C1=C2N=C(NC(=O)CCC3=NN=N[N-]3)NC2=CC=C1	REAL300020138056	1	35	-1.0	-46.06	311.43	4.79	-41.27
CCC(CS(=O)(=O)C1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020138057	0	41	-1.0	-50.85	350.98	2.28	-48.57
CCC(CS(=O)(=O)C1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020138057	1	41	-1.0	-50.86	351.04	2.30	-48.56
O=C(CCC1=N[N-]N=N1)NC(C1=C(F)C=CC=C1F)C(F)(F)F	REAL300020138058	0	32	-1.0	-42.24	296.35	3.98	-38.26
O=C(CCC1=NN=N[N-]1)NC(C1=C(F)C=CC=C1F)C(F)(F)F	REAL300020138058	1	32	-1.0	-42.21	296.41	3.99	-38.22
COC(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)C(C(=O)OC)C1	REAL300020138059	0	41	-1.0	-50.01	339.31	5.02	-44.99
COC(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)C(C(=O)OC)C1	REAL300020138059	1	41	-1.0	-50.01	339.36	5.03	-44.98
O=C(CCC1=NN=N[N-]1)NC1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300020138060	0	36	-1.0	-44.23	328.36	5.72	-38.51
O=C(CCC1=N[N-]N=N1)NC1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300020138060	1	36	-1.0	-44.19	328.30	5.71	-38.48
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020138061	0	41	-1.0	-44.23	355.21	6.02	-38.21
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020138061	1	41	-1.0	-44.26	355.27	6.03	-38.23
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(N2CCOC2=O)C=C1	REAL300020138062	0	38	-1.0	-48.71	326.28	2.77	-45.94
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(N2CCOC2=O)C=C1	REAL300020138062	1	38	-1.0	-48.71	326.33	2.78	-45.93
CC(C)N1C=C2CCCC(NC(=O)CCC3=N[N-]N=N3)C2=N1	REAL300020138063	0	42	-1.0	-47.55	341.27	3.58	-43.97
CC(C)N1C=C2CCCC(NC(=O)CCC3=NN=N[N-]3)C2=N1	REAL300020138063	1	42	-1.0	-47.58	341.33	3.60	-43.98
COCCN1C=C2CCCC(NC(=O)CCC3=N[N-]N=N3)C2=N1	REAL300020138064	0	43	-1.0	-47.47	356.27	2.11	-45.36
COCCN1C=C2CCCC(NC(=O)CCC3=NN=N[N-]3)C2=N1	REAL300020138064	1	43	-1.0	-47.48	356.32	2.12	-45.36
O=C(CCC1=N[N-]N=N1)NCCN1C2=C(C=CC=C2)C2=C1C=CC=C2	REAL300020138065	0	42	-1.0	-44.12	357.85	6.77	-37.35
O=C(CCC1=NN=N[N-]1)NCCN1C2=C(C=CC=C2)C2=C1C=CC=C2	REAL300020138065	1	42	-1.0	-44.13	357.91	6.78	-37.35
CC(C)(C)OC(=O)NC1CCCC2CN(C(=O)CCC3=N[N-]N=N3)CC21	REAL300020138066	0	53	-1.0	-43.82	408.17	4.15	-39.67
CC(C)(C)OC(=O)NC1CCCC2CN(C(=O)CCC3=NN=N[N-]3)CC21	REAL300020138066	1	53	-1.0	-43.80	408.23	4.16	-39.64
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1=CC(Cl)=CC=C1Cl	REAL300020138067	0	39	-1.0	-40.29	358.90	7.75	-32.54
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1=CC(Cl)=CC=C1Cl	REAL300020138067	1	39	-1.0	-40.29	358.96	7.76	-32.53
COC1=CC=C(C2(CNC(=O)CCC3=N[N-]N=N3)CCC2)C=C1	REAL300020138068	0	43	-1.0	-40.78	349.31	4.45	-36.33
COC1=CC=C(C2(CNC(=O)CCC3=NN=N[N-]3)CCC2)C=C1	REAL300020138068	1	43	-1.0	-40.78	349.37	4.46	-36.32
CC1=CC=C(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020138069	0	41	-1.0	-39.39	325.24	4.45	-34.94
CC1=CC=C(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020138069	1	41	-1.0	-39.34	325.30	4.46	-34.88
CCOC(=O)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020138070	0	41	-1.0	-45.46	374.37	6.37	-39.09
CCOC(=O)CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020138070	1	41	-1.0	-45.47	374.43	6.38	-39.09
CC(C)(C)OC(=O)NC1(CNC(=O)CCC2=N[N-]N=N2)CCC1	REAL300020138071	0	46	-1.0	-43.50	366.93	1.73	-41.77
CC(C)(C)OC(=O)NC1(CNC(=O)CCC2=NN=N[N-]2)CCC1	REAL300020138071	1	46	-1.0	-43.49	366.98	1.75	-41.74
O=C(CCC1=N[N-]N=N1)N1CCC(OCC2CCOC2)CC1	REAL300020138072	0	44	-1.0	-41.20	345.73	2.98	-38.22
O=C(CCC1=NN=N[N-]1)N1CCC(OCC2CCOC2)CC1	REAL300020138072	1	44	-1.0	-41.18	345.79	3.00	-38.18
O=C(CCC1=N[N-]N=N1)NC1=CC=C(S(=O)(=O)CCO)C=C1	REAL300020138073	0	36	-1.0	-47.35	325.06	-2.33	-49.68
O=C(CCC1=NN=N[N-]1)NC1=CC=C(S(=O)(=O)CCO)C=C1	REAL300020138073	1	36	-1.0	-47.34	325.12	-2.31	-49.65
CC[C@@H](CO)N(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020138074	0	42	-1.0	-45.11	334.58	3.79	-41.32
CC[C@@H](CO)N(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020138074	1	42	-1.0	-45.08	334.64	3.81	-41.27
CC(=O)OCCCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138075	0	41	-1.0	-44.25	353.19	5.76	-38.49
CC(=O)OCCCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138075	1	41	-1.0	-44.25	353.24	5.77	-38.48
CC1=CC=NC(OC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020138076	0	42	-1.0	-41.71	342.84	3.64	-38.07
CC1=CC=NC(OC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020138076	1	42	-1.0	-41.67	342.90	3.65	-38.02
CN1C=C(C2=NC(C3COCCN3C(=O)CCC3=NN=N[N-]3)=NO2)C=N1	REAL300020138077	0	42	-1.0	-47.20	355.71	-0.14	-47.34
CN1C=C(C2=NC(C3COCCN3C(=O)CCC3=N[N-]N=N3)=NO2)C=N1	REAL300020138077	1	42	-1.0	-47.16	355.66	-0.16	-47.32
CN1C=C(C2=NC(C3CCCCCN3C(=O)CCC3=NN=N[N-]3)=NO2)C=N1	REAL300020138078	0	47	-1.0	-48.61	380.86	3.21	-45.40
CN1C=C(C2=NC(C3CCCCCN3C(=O)CCC3=N[N-]N=N3)=NO2)C=N1	REAL300020138078	1	47	-1.0	-48.59	380.80	3.20	-45.39
N#CC1=CC=C(N2C=CC(NC(=O)CCC3=NN=N[N-]3)=N2)C(Cl)=C1	REAL300020138079	0	34	-1.0	-44.32	327.50	5.85	-38.47
N#CC1=CC=C(N2C=CC(NC(=O)CCC3=N[N-]N=N3)=N2)C(Cl)=C1	REAL300020138079	1	34	-1.0	-44.36	327.45	5.83	-38.53
CC(C)(C)OC1=C(F)C=C(NC(=O)CCC2=N[N-]N=N2)C=C1F	REAL300020138080	0	39	-1.0	-40.27	327.58	4.02	-36.25
CC(C)(C)OC1=C(F)C=C(NC(=O)CCC2=NN=N[N-]2)C=C1F	REAL300020138080	1	39	-1.0	-40.28	327.64	4.03	-36.25
O=C(CCC1=N[N-]N=N1)NC1=NC(CC2=CC=CC=C2Br)=CS1	REAL300020138081	0	35	-1.0	-39.71	334.31	5.86	-33.85
O=C(CCC1=NN=N[N-]1)NC1=NC(CC2=CC=CC=C2Br)=CS1	REAL300020138081	1	35	-1.0	-39.77	334.37	5.88	-33.89
O=C(CCC1=N[N-]N=N1)NC1=NC(CC2=CC=CC=C2)=CS1	REAL300020138082	0	35	-1.0	-39.13	318.92	5.11	-34.02
O=C(CCC1=NN=N[N-]1)NC1=NC(CC2=CC=CC=C2)=CS1	REAL300020138082	1	35	-1.0	-39.16	318.98	5.12	-34.04
CC1=CC(C)=NC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020138083	0	42	-1.0	-43.09	341.20	4.62	-38.47
CC1=CC(C)=NC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020138083	1	42	-1.0	-43.07	341.26	4.63	-38.44
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300020138084	0	30	-1.0	-40.26	287.05	2.70	-37.56
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300020138084	1	30	-1.0	-40.28	287.10	2.71	-37.57
O=C(CCC1=N[N-]N=N1)NC1=C([O-])C(Cl)=CC(Cl)=C1Cl	REAL300020138085	0	26	-2.0	-84.88	290.42	2.29	-82.59
O=C(CCC1=NN=N[N-]1)NC1=C([O-])C(Cl)=CC(Cl)=C1Cl	REAL300020138085	1	26	-2.0	-84.91	290.47	2.31	-82.60
O=C(CCC1=N[N-]N=N1)NC(CO)C1=CC=CC(Br)=C1	REAL300020138086	0	33	-1.0	-39.44	305.20	0.97	-38.47
O=C(CCC1=NN=N[N-]1)NC(CO)C1=CC=CC(Br)=C1	REAL300020138086	1	33	-1.0	-39.48	305.26	0.98	-38.50
O=C(CCC1=N[N-]N=N1)N1CCC(O)(CN2CCOCC2)CC1	REAL300020138087	0	46	-1.0	-39.95	345.76	0.02	-39.93
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C[NH+]2CCOCC2)CC1	REAL300020138087	1	47	0.0	-62.84	345.33	1.78	-61.06
O=C(CCC1=NN=N[N-]1)N1CCC(O)(CN2CCOCC2)CC1	REAL300020138087	1	46	-1.0	-39.94	345.81	0.04	-39.90
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(F)(F)F)C=C1	REAL300020138088	0	36	-1.0	-40.29	319.12	3.16	-37.13
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(F)(F)F)C=C1	REAL300020138088	1	36	-1.0	-40.28	319.18	3.18	-37.10
CC1=C(NC(=O)CCC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020138089	0	35	-1.0	-41.01	315.98	4.27	-36.74
CC1=C(NC(=O)CCC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020138089	1	35	-1.0	-41.02	315.92	4.26	-36.76
CC(C)(C)OC(=O)N1CCCC(C)(CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020138090	0	52	-1.0	-43.48	395.02	4.70	-38.78
CC(C)(C)OC(=O)N1CCCC(C)(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020138090	1	52	-1.0	-43.47	395.07	4.72	-38.75
COC1=CC(Br)=CC=C1CCCNC(=O)CCC1=N[N-]N=N1	REAL300020138091	0	39	-1.0	-40.67	350.20	4.23	-36.44
COC1=CC(Br)=CC=C1CCCNC(=O)CCC1=NN=N[N-]1	REAL300020138091	1	39	-1.0	-40.71	350.25	4.24	-36.47
O=C(CCC1=N[N-]N=N1)N1CCCC(S(=O)(=O)N2CCOCC2)C1	REAL300020138092	0	45	-1.0	-43.28	358.64	0.17	-43.11
O=C(CCC1=NN=N[N-]1)N1CCCC(S(=O)(=O)N2CCOCC2)C1	REAL300020138092	1	45	-1.0	-43.29	358.70	0.19	-43.10
CCN1C2=CC=C(F)C=C2N=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138093	0	35	-1.0	-47.85	308.79	6.73	-41.12
CCN1C2=CC=C(F)C=C2N=C1NC(=O)CCC1=N[N-]N=N1	REAL300020138093	1	35	-1.0	-47.83	308.73	6.71	-41.12
O=C(CCC1=N[N-]N=N1)N1CCC(CCCN2C=CN=C2)CC1	REAL300020138094	0	45	-1.0	-44.48	357.78	7.43	-37.05
O=C(CCC1=NN=N[N-]1)N1CCC(CCCN2C=CN=C2)CC1	REAL300020138094	1	45	-1.0	-44.42	357.83	7.45	-36.97
CC(C)(C)OC(=O)N1CCC(CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020138095	0	46	-1.0	-45.38	368.98	2.82	-42.56
CC(C)(C)OC(=O)N1CCC(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020138095	1	46	-1.0	-45.41	369.04	2.84	-42.57
CCN(CC)S(=O)(=O)C1=CC=C(O)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138096	0	44	-1.0	-47.89	377.73	-0.45	-48.34
CCN(CC)S(=O)(=O)C1=CC=C(O)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138096	1	44	-1.0	-47.88	377.79	-0.43	-48.31
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138096	1	43	-2.0	-91.64	374.17	0.32	-91.32
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138096	1	43	-2.0	-91.60	374.23	0.34	-91.26
O=C(CCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1O	REAL300020138097	0	45	-1.0	-47.35	378.92	-0.17	-47.52
O=C(CCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1O	REAL300020138097	1	45	-1.0	-47.35	378.98	-0.16	-47.51
O=C(CCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300020138097	1	44	-2.0	-92.65	375.36	0.59	-92.06
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NS(=O)(=O)C1=CC=C(O)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138098	0	32	-1.0	-48.75	295.17	-5.20	-53.95
NS(=O)(=O)C1=CC=C(O)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138098	1	32	-1.0	-48.74	295.23	-5.19	-53.93
NS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138098	1	31	-2.0	-90.15	291.61	-4.43	-94.58
NS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138098	1	31	-2.0	-90.10	291.66	-4.42	-94.52
O=C(CCC1=N[N-]N=N1)N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300020138099	0	52	0.0	-67.17	386.68	5.62	-61.55
O=C(CCC1=NN=N[N-]1)N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300020138099	1	52	0.0	-67.17	386.74	5.64	-61.53
O=C(CCC1=N[N-]N=N1)N1CCC(CCCN2CCOCC2)CC1	REAL300020138099	1	51	-1.0	-40.77	384.20	3.36	-37.41
O=C(CCC1=NN=N[N-]1)N1CCC(CCCN2CCOCC2)CC1	REAL300020138099	1	51	-1.0	-40.80	384.26	3.37	-37.43
COC1=CC=C([N+](=O)[O-])C=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020138100	0	35	-1.0	-43.43	314.22	2.70	-40.73
COC1=CC=C([N+](=O)[O-])C=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020138100	1	35	-1.0	-43.37	314.28	2.71	-40.66
O=C(CCC1=N[N-]N=N1)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300020138101	0	52	0.0	-65.54	394.18	7.75	-57.79
O=C(CCC1=N[N-]N=N1)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300020138101	1	52	0.0	-63.98	398.26	7.31	-56.67
O=C(CCC1=NN=N[N-]1)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300020138101	1	52	0.0	-65.53	394.24	7.76	-57.77
O=C(CCC1=NN=N[N-]1)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300020138101	1	52	0.0	-63.98	398.31	7.33	-56.65
O=C(CCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1O	REAL300020138102	0	39	-1.0	-48.15	350.00	-2.31	-50.46
O=C(CCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1O	REAL300020138102	1	39	-1.0	-48.12	350.06	-2.30	-50.42
O=C(CCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300020138102	1	38	-2.0	-90.51	346.44	-1.55	-92.06
O=C(CCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300020138102	1	38	-2.0	-90.53	346.50	-1.53	-92.06
O=C(CCC1=N[N-]N=N1)NCCSCC1=CC=NC(Cl)=C1	REAL300020138103	0	35	-1.0	-43.57	335.54	3.48	-40.09
O=C(CCC1=NN=N[N-]1)NCCSCC1=CC=NC(Cl)=C1	REAL300020138103	1	35	-1.0	-43.58	335.60	3.49	-40.09
O=C(CCC1=N[N-]N=N1)N1CCNC(=O)C1C1=CC=CC=C1F	REAL300020138104	0	37	-1.0	-47.21	313.04	2.44	-44.77
O=C(CCC1=NN=N[N-]1)N1CCNC(=O)C1C1=CC=CC=C1F	REAL300020138104	1	37	-1.0	-47.22	313.09	2.45	-44.77
CC(CC1=CC=CC=C1C(F)(F)F)NC(=O)CCC1=N[N-]N=N1	REAL300020138105	0	38	-1.0	-41.57	326.05	5.03	-36.54
CC(CC1=CC=CC=C1C(F)(F)F)NC(=O)CCC1=NN=N[N-]1	REAL300020138105	1	38	-1.0	-41.57	326.10	5.04	-36.53
CC(C)(C)OC(=O)N1CCC2CCC(C1)N2C(=O)CCC1=N[N-]N=N1	REAL300020138106	0	50	-1.0	-51.40	373.45	5.04	-46.36
CC(C)(C)OC(=O)N1CCC2CCC(C1)N2C(=O)CCC1=NN=N[N-]1	REAL300020138106	1	50	-1.0	-51.35	373.50	5.06	-46.29
O=C(CCC1=N[N-]N=N1)NC1=C(Br)C2=NNC=C2C=C1	REAL300020138107	0	29	-1.0	-45.71	276.57	2.07	-43.64
O=C(CCC1=NN=N[N-]1)NC1=C(Br)C2=NNC=C2C=C1	REAL300020138107	1	29	-1.0	-45.69	276.62	2.09	-43.60
O=C(CCC1=N[N-]N=N1)N1CC=C(C2=CC=CC3=CC=CC=C32)C1	REAL300020138108	0	40	-1.0	-41.33	339.47	7.78	-33.55
O=C(CCC1=NN=N[N-]1)N1CC=C(C2=CC=CC3=CC=CC=C32)C1	REAL300020138108	1	40	-1.0	-41.33	339.53	7.79	-33.54
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CN=C1Br	REAL300020138109	0	28	-1.0	-38.62	266.42	1.90	-36.72
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CN=C1Br	REAL300020138109	1	28	-1.0	-38.57	266.36	1.89	-36.68
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C=C1NC1=CC=CC=C1F	REAL300020138110	0	38	-1.0	-37.38	332.69	5.28	-32.10
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C=C1NC1=CC=CC=C1F	REAL300020138110	1	38	-1.0	-37.39	332.75	5.29	-32.10
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1N1CCOCC1	REAL300020138111	0	42	-1.0	-40.79	339.55	2.77	-38.02
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1N1CCOCC1	REAL300020138111	1	42	-1.0	-40.75	339.61	2.79	-37.96
COC(=O)C1=CC=C2CCN(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020138112	0	39	-1.0	-44.08	328.80	5.64	-38.44
COC(=O)C1=CC=C2CCN(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020138112	1	39	-1.0	-44.10	328.86	5.65	-38.45
CC[N@H+](CCC1CCN(C(=O)CCC2=N[N-]N=N2)CC1)CC(C)C	REAL300020138113	0	56	0.0	-64.49	406.70	8.18	-56.31
CC[N@@H+](CCC1CCN(C(=O)CCC2=N[N-]N=N2)CC1)CC(C)C	REAL300020138113	1	56	0.0	-64.36	407.22	8.16	-56.20
CC[N@H+](CCC1CCN(C(=O)CCC2=NN=N[N-]2)CC1)CC(C)C	REAL300020138113	1	56	0.0	-64.45	406.76	8.19	-56.26
CC[N@@H+](CCC1CCN(C(=O)CCC2=NN=N[N-]2)CC1)CC(C)C	REAL300020138113	1	56	0.0	-64.38	407.28	8.17	-56.21
O=C(CCC1=N[N-]N=N1)NCC(=O)OCC1=CC=C(Cl)C=C1	REAL300020138114	0	35	-1.0	-39.68	329.51	4.29	-35.39
O=C(CCC1=NN=N[N-]1)NCC(=O)OCC1=CC=C(Cl)C=C1	REAL300020138114	1	35	-1.0	-39.68	329.57	4.30	-35.38
COC1=CC=C2CC(NC(=O)CCC3=N[N-]N=N3)CCC2=C1	REAL300020138115	0	40	-1.0	-41.69	327.60	3.80	-37.89
COC1=CC=C2CC(NC(=O)CCC3=NN=N[N-]3)CCC2=C1	REAL300020138115	1	40	-1.0	-41.72	327.66	3.82	-37.90
COC1=CC=CC(C2C(C3=CC=CC=C3)CCN2C(=O)CCC2=N[N-]N=N2)=C1	REAL300020138116	0	50	-1.0	-42.81	395.76	8.47	-34.34
COC1=CC=CC(C2C(C3=CC=CC=C3)CCN2C(=O)CCC2=NN=N[N-]2)=C1	REAL300020138116	1	50	-1.0	-42.81	395.81	8.48	-34.33
CC1=CC=C(N(C)C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020138117	0	47	-1.0	-41.17	363.08	6.85	-34.32
CC1=CC=C(N(C)C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020138117	1	47	-1.0	-41.12	363.13	6.87	-34.25
O=C(CCC1=N[N-]N=N1)N1CCN(C2CCCN(CC3=CC=CC=C3)C2=O)CC1	REAL300020138118	0	55	-1.0	-44.87	422.65	5.50	-39.37
O=C(CCC1=NN=N[N-]1)N1CCN(C2CCCN(CC3=CC=CC=C3)C2=O)CC1	REAL300020138118	1	55	-1.0	-44.87	422.71	5.51	-39.36
CCCC1=C(NC(=O)CCC2=N[N-]N=N2)C=NN1C1=CC=CC(F)=C1	REAL300020138119	0	42	-1.0	-41.95	356.78	5.74	-36.21
CCCC1=C(NC(=O)CCC2=NN=N[N-]2)C=NN1C1=CC=CC(F)=C1	REAL300020138119	1	42	-1.0	-41.87	356.85	5.75	-36.12
O=C(CCC1=N[N-]N=N1)N1CCC(COC2=CC=CC=C2)C1	REAL300020138120	0	40	-1.0	-40.87	332.26	5.31	-35.56
O=C(CCC1=NN=N[N-]1)N1CCC(COC2=CC=CC=C2)C1	REAL300020138120	1	40	-1.0	-40.86	332.32	5.32	-35.54
O=C(CCC1=N[N-]N=N1)NCCCOCCOCC1=CC=CC=C1	REAL300020138121	0	46	-1.0	-42.92	390.09	3.75	-39.17
O=C(CCC1=NN=N[N-]1)NCCCOCCOCC1=CC=CC=C1	REAL300020138121	1	46	-1.0	-42.91	390.15	3.77	-39.14
CCC1CCCCN1C1=CC=C2C(=C1)CCCN2C(=O)CCC1=N[N-]N=N1	REAL300020138122	0	54	-1.0	-40.03	402.20	7.70	-32.33
CCC1CCCCN1C1=CC=C2C(=C1)CCCN2C(=O)CCC1=NN=N[N-]1	REAL300020138122	1	54	-1.0	-40.04	402.26	7.71	-32.33
CCOC(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1SC1=CC=CC=C1	REAL300020138123	0	46	-1.0	-44.76	403.24	8.04	-36.72
CCOC(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1SC1=CC=CC=C1	REAL300020138123	1	46	-1.0	-44.74	403.30	8.06	-36.68
CC(C)(C)C1=NC=CC(CCCNC(=O)CCC2=N[N-]N=N2)=N1	REAL300020138124	0	45	-1.0	-42.75	372.42	4.14	-38.61
CC(C)(C)C1=NC=CC(CCCNC(=O)CCC2=NN=N[N-]2)=N1	REAL300020138124	1	45	-1.0	-42.73	372.48	4.16	-38.57
CCOC(=O)COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138125	0	39	-1.0	-46.35	339.24	4.42	-41.93
CCOC(=O)COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138125	1	39	-1.0	-46.42	339.29	4.43	-41.99
O=C(CCC1=N[N-]N=N1)N1CCCC(S(=O)(=O)NC2CCCC2)C1	REAL300020138126	0	47	-1.0	-42.59	377.79	1.79	-40.80
O=C(CCC1=NN=N[N-]1)N1CCCC(S(=O)(=O)NC2CCCC2)C1	REAL300020138126	1	47	-1.0	-42.57	377.85	1.80	-40.77
O=C(CCC1=N[N-]N=N1)NC1CCCN(CC2=CC=CC=N2)C1=O	REAL300020138127	0	42	-1.0	-49.65	350.39	2.73	-46.92
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CC1=CC(NC(=O)CCC2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL300020138177	1	39	-1.0	-42.97	331.38	5.85	-37.12
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CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCC1=N[N-]N=N1	REAL300020138180	0	40	-1.0	-41.53	339.39	-1.73	-43.26
CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCC1=NN=N[N-]1	REAL300020138180	1	40	-1.0	-41.50	339.44	-1.72	-43.22
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CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020138182	1	44	0.0	-64.63	351.00	5.77	-58.86
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020138182	1	44	0.0	-64.70	351.11	5.78	-58.92
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020138182	1	44	0.0	-64.66	351.06	5.78	-58.88
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COC(C1=CC=C(Br)C=C1)C(C)NC(=O)CCC1=N[N-]N=N1	REAL300020138192	0	39	-1.0	-40.64	346.26	4.48	-36.16
COC(C1=CC=C(Br)C=C1)C(C)NC(=O)CCC1=NN=N[N-]1	REAL300020138192	1	39	-1.0	-40.64	346.32	4.50	-36.14
COCCN1C=CC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C21	REAL300020138193	0	40	-1.0	-44.21	341.13	4.28	-39.93
COCCN1C=CC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C21	REAL300020138193	1	40	-1.0	-44.20	341.19	4.30	-39.90
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CC1=CC(Br)=CC2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020138196	0	36	-1.0	-38.88	313.08	6.11	-32.77
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CC1(C)CN(CC(F)(F)F)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020138197	0	40	-1.0	-39.25	319.87	3.16	-36.09
CC1(C)CN(CC(F)(F)F)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020138197	1	40	-1.0	-39.24	319.92	3.18	-36.06
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COC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(OC)=C1C(C)C	REAL300020138200	0	43	-1.0	-40.63	344.01	3.61	-37.02
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(OC)=C1C(C)C	REAL300020138200	1	43	-1.0	-40.61	344.07	3.62	-36.99
CCN1C2=CC(F)=CC=C2N=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138201	0	35	-1.0	-44.90	308.79	6.73	-38.17
CCN1C2=CC(F)=CC=C2N=C1NC(=O)CCC1=N[N-]N=N1	REAL300020138201	1	35	-1.0	-44.89	308.73	6.71	-38.18
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CC1=CC(NC(=O)CCC2=N[N-]N=N2)=NN1C1=CC=CC(F)=C1	REAL300020138203	0	36	-1.0	-44.02	316.32	5.23	-38.79
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=NN1C1=CC=CC(F)=C1	REAL300020138203	1	36	-1.0	-44.09	316.39	5.24	-38.85
O=C(CCC1=N[N-]N=N1)NC1CCN(C2=CC=C(F)C(Cl)=C2)C1	REAL300020138204	0	38	-1.0	-40.27	332.07	2.98	-37.29
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COC1=CC=C(CN(C(=O)CCC2=N[N-]N=N2)C2CCCCC2C)C=C1OC	REAL300020138207	0	56	-1.0	-45.74	381.78	5.97	-39.77
COC1=CC=C(CN(C(=O)CCC2=NN=N[N-]2)C2CCCCC2C)C=C1OC	REAL300020138207	1	56	-1.0	-45.74	381.84	5.99	-39.75
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300020138208	0	36	-1.0	-41.90	340.39	6.10	-35.80
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300020138208	1	36	-1.0	-41.86	340.45	6.12	-35.74
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300020138209	0	36	-1.0	-42.32	341.90	6.40	-35.92
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300020138209	1	36	-1.0	-42.33	341.96	6.41	-35.92
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=NN1C1=CC(C)=CC(C)=C1	REAL300020138210	0	42	-1.0	-43.11	352.68	6.48	-36.63
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300020138210	1	42	-1.0	-43.09	352.74	6.49	-36.60
CC(NC(=O)CCC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020138211	0	48	0.0	-62.75	378.71	6.55	-56.20
CC(NC(=O)CCC1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020138211	1	48	0.0	-65.95	378.01	6.39	-59.56
CC(NC(=O)CCC1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020138211	1	48	0.0	-62.76	378.76	6.57	-56.19
CC(NC(=O)CCC1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020138211	1	48	0.0	-65.98	378.07	6.41	-59.57
COC1=CC=C(C(OC)C(C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138212	0	43	-1.0	-43.11	353.69	2.72	-40.39
COC1=CC=C(C(OC)C(C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138212	1	43	-1.0	-43.14	353.74	2.74	-40.40
O=C(CCC1=N[N-]N=N1)NC(CCC1=CC=CC=C1)C(F)(F)F	REAL300020138213	0	38	-1.0	-40.10	335.42	5.58	-34.52
O=C(CCC1=NN=N[N-]1)NC(CCC1=CC=CC=C1)C(F)(F)F	REAL300020138213	1	38	-1.0	-40.12	335.48	5.60	-34.52
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020138214	0	37	-1.0	-43.05	312.91	2.41	-40.64
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020138214	1	37	-1.0	-43.02	312.97	2.43	-40.59
CC(=O)N1CCN(CC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020138215	0	48	-1.0	-47.87	383.56	2.91	-44.96
CC(=O)N1CCN(CC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020138215	1	48	-1.0	-47.86	383.62	2.92	-44.94
CN(C)C(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)C(C)(C)C1	REAL300020138216	0	44	-1.0	-42.49	331.24	3.44	-39.05
CN(C)C(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)C(C)(C)C1	REAL300020138216	1	44	-1.0	-42.52	331.30	3.46	-39.06
CC1=CC=C2NC3=C(CC(NC(=O)CCC4=N[N-]N=N4)CC3)C2=C1	REAL300020138217	0	43	-1.0	-41.89	351.59	5.14	-36.75
CC1=CC=C2NC3=C(CC(NC(=O)CCC4=NN=N[N-]4)CC3)C2=C1	REAL300020138217	1	43	-1.0	-41.86	351.65	5.15	-36.71
O=C(CCC1=N[N-]N=N1)NC1=CC=C2NC(C3=CC=CC=N3)=NC2=C1	REAL300020138218	0	38	-1.0	-44.34	333.73	3.32	-41.02
O=C(CCC1=NN=N[N-]1)NC1=CC=C2NC(C3=CC=CC=N3)=NC2=C1	REAL300020138218	1	38	-1.0	-44.34	333.79	3.33	-41.01
CC1C(C)N(C(=O)OC(C)(C)C)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020138219	0	49	-1.0	-39.34	366.96	4.96	-34.38
CC1C(C)N(C(=O)OC(C)(C)C)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020138219	1	49	-1.0	-39.34	367.02	4.98	-34.36
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC2=CC=CC=C21)C1=CC=CC=C1	REAL300020138220	0	45	-1.0	-41.55	372.80	10.35	-31.20
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O=C(CCC1=N[N-]N=N1)NCCSCC1=CC=C(Cl)C=C1Cl	REAL300020138221	0	36	-1.0	-41.13	354.58	5.76	-35.37
O=C(CCC1=NN=N[N-]1)NCCSCC1=CC=C(Cl)C=C1Cl	REAL300020138221	1	36	-1.0	-41.13	354.63	5.77	-35.36
O=C(CCC1=N[N-]N=N1)N1CCN2CCOC3=CC=CC1=C32	REAL300020138222	0	37	-1.0	-41.57	295.05	2.40	-39.17
O=C(CCC1=NN=N[N-]1)N1CCN2CCOC3=CC=CC1=C32	REAL300020138222	1	37	-1.0	-41.59	295.11	2.41	-39.18
CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CCC3=N[N-]N=N3)C2)CC1	REAL300020138223	0	53	-1.0	-43.82	400.60	5.59	-38.23
CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CCC3=NN=N[N-]3)C2)CC1	REAL300020138223	1	53	-1.0	-43.78	400.65	5.60	-38.18
O=C(CCC1=N[N-]N=N1)NCC1(CC2=CC=C(F)C=C2)CC1	REAL300020138224	0	39	-1.0	-41.66	333.70	5.52	-36.14
O=C(CCC1=NN=N[N-]1)NCC1(CC2=CC=C(F)C=C2)CC1	REAL300020138224	1	39	-1.0	-41.63	333.76	5.53	-36.10
CC(C)C1=CC=C(N2CC3=CC=C(NC(=O)CCC4=N[N-]N=N4)C=C3C2)C=C1	REAL300020138225	0	51	-1.0	-40.13	405.78	6.82	-33.31
CC(C)C1=CC=C(N2CC3=CC=C(NC(=O)CCC4=NN=N[N-]4)C=C3C2)C=C1	REAL300020138225	1	51	-1.0	-40.13	405.84	6.84	-33.29
CC(C)CS(=O)(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020138226	0	46	-1.0	-45.83	373.53	1.22	-44.61
CC(C)CS(=O)(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020138226	1	46	-1.0	-45.77	373.59	1.24	-44.53
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)CCC1=NN=N[N-]1	REAL300020138227	0	50	0.0	-63.52	384.72	5.37	-58.15
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)CCC1=N[N-]N=N1	REAL300020138227	1	50	0.0	-63.50	384.66	5.36	-58.14
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300020138228	0	39	-1.0	-39.31	361.06	6.80	-32.51
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300020138228	1	39	-1.0	-39.33	361.12	6.81	-32.52
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CN(C(=O)C1=CC=CC=C1)C1CC2CCC(C1)N2C(=O)CCC1=N[N-]N=N1	REAL300020138230	0	50	-1.0	-46.82	360.15	6.13	-40.69
CN(C(=O)C1=CC=CC=C1)C1CC2CCC(C1)N2C(=O)CCC1=NN=N[N-]1	REAL300020138230	1	50	-1.0	-46.83	360.21	6.15	-40.68
CC(C)(C)OC(=O)NC1CCC2=NC=C(NC(=O)CCC3=N[N-]N=N3)C=C2C1	REAL300020138231	0	52	-1.0	-45.04	415.07	3.09	-41.95
CC(C)(C)OC(=O)NC1CCC2=NC=C(NC(=O)CCC3=NN=N[N-]3)C=C2C1	REAL300020138231	1	52	-1.0	-45.04	415.13	3.11	-41.93
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O=C(CCC1=NN=N[N-]1)NC1=CC=CN=C1N1CCCCC1	REAL300020138232	1	40	-1.0	-38.39	319.81	3.95	-34.44
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CCN1N=C(C)C(NC(=O)CCC2=N[N-]N=N2)=C1C(=O)OC	REAL300020138234	0	38	-1.0	-44.68	332.96	2.65	-42.03
CCN1N=C(C)C(NC(=O)CCC2=NN=N[N-]2)=C1C(=O)OC	REAL300020138234	1	38	-1.0	-44.64	333.02	2.66	-41.98
CC(=O)OCCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138235	0	38	-1.0	-44.34	331.69	4.98	-39.36
CC(=O)OCCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138235	1	38	-1.0	-44.28	331.75	5.00	-39.28
CN1C=C(Br)C(=O)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138236	0	29	-1.0	-59.66	279.56	3.52	-56.14
CN1C=C(Br)C(=O)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138236	1	29	-1.0	-59.68	279.62	3.54	-56.14
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O=C(CCC1=NN=N[N-]1)NCC1=CC(OCC(F)F)=CC=N1	REAL300020138238	1	35	-1.0	-46.59	317.23	1.42	-45.17
COC1=CC2=CC(C)=C(NNC(=O)CCC3=N[N-]N=N3)N=C2C=C1	REAL300020138239	0	40	-1.0	-42.21	339.09	3.67	-38.54
COC1=CC2=CC(C)=C(NNC(=O)CCC3=NN=N[N-]3)N=C2C=C1	REAL300020138239	1	40	-1.0	-42.21	339.15	3.68	-38.53
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O=C(CCC1=NN=N[N-]1)N1CCC2(CC2C(=O)NCC2CC2)CC1	REAL300020138240	1	47	-1.0	-43.02	378.02	4.65	-38.37
COC1=CC=C(C(CO)N(C)C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138241	0	40	-1.0	-42.17	320.00	1.60	-40.57
COC1=CC=C(C(CO)N(C)C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138241	1	40	-1.0	-42.17	320.06	1.61	-40.56
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1C(O)C(F)(F)F	REAL300020138242	0	33	-1.0	-41.95	294.24	1.74	-40.21
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1C(O)C(F)(F)F	REAL300020138242	1	33	-1.0	-41.87	294.29	1.76	-40.11
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1CN1CCNC1=O	REAL300020138243	0	39	-1.0	-43.39	322.79	2.47	-40.92
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1CN1CCNC1=O	REAL300020138243	1	39	-1.0	-43.38	322.83	2.49	-40.89
COC(=O)C1=NNC(C2=CC=CC=C2CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138244	0	42	-1.0	-44.79	365.29	4.45	-40.34
COC(=O)C1=NNC(C2=CC=CC=C2CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138244	1	42	-1.0	-44.85	365.35	4.46	-40.39
O=C(CCC1=N[N-]N=N1)N1CCN(S(=O)(=O)CBr)CC1	REAL300020138245	0	34	-1.0	-44.20	311.60	0.14	-44.06
O=C(CCC1=NN=N[N-]1)N1CCN(S(=O)(=O)CBr)CC1	REAL300020138245	1	34	-1.0	-44.18	311.66	0.16	-44.02
CC1=NN(C2CC3CCC2C3)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138246	0	43	-1.0	-40.03	338.66	5.84	-34.19
CC1=NN(C2CC3CCC2C3)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138246	1	43	-1.0	-40.03	338.72	5.86	-34.17
COC(=O)CCN1CCN(C(=O)CCC2=N[N-]N=N2)C(C)C1	REAL300020138247	0	43	-1.0	-41.97	338.54	2.29	-39.68
COC(=O)CCN1CCN(C(=O)CCC2=NN=N[N-]2)C(C)C1	REAL300020138247	1	43	-1.0	-41.98	338.59	2.30	-39.68
COC(=O)CC[N@@H+]1CCN(C(=O)CCC2=N[N-]N=N2)C(C)C1	REAL300020138247	1	44	0.0	-68.56	343.83	4.88	-63.68
COC(=O)CC[N@H+]1CCN(C(=O)CCC2=N[N-]N=N2)C(C)C1	REAL300020138247	1	44	0.0	-69.16	342.01	4.64	-64.52
COC(=O)CC[N@@H+]1CCN(C(=O)CCC2=NN=N[N-]2)C(C)C1	REAL300020138247	1	44	0.0	-68.57	343.89	4.90	-63.67
COC(=O)CC[N@H+]1CCN(C(=O)CCC2=NN=N[N-]2)C(C)C1	REAL300020138247	1	44	0.0	-69.15	342.06	4.66	-64.49
O=C(CCC1=N[N-]N=N1)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300020138248	0	52	0.0	-65.01	410.88	6.44	-58.57
O=C(CCC1=NN=N[N-]1)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300020138248	1	52	0.0	-65.02	410.94	6.45	-58.57
C[C@H]1CN(C(=O)CCC2=N[N-]N=N2)CCN1S(C)(=O)=O	REAL300020138249	0	37	-1.0	-45.01	308.29	0.12	-44.89
C[C@H]1CN(C(=O)CCC2=NN=N[N-]2)CCN1S(C)(=O)=O	REAL300020138249	1	37	-1.0	-44.96	308.35	0.13	-44.83
CC1=NC(C2=CC3=C(CCN(C(=O)CCC4=NN=N[N-]4)C3)S2)=CS1	REAL300020138250	0	39	-1.0	-42.85	352.10	5.69	-37.16
CC1=NC(C2=CC3=C(CCN(C(=O)CCC4=N[N-]N=N4)C3)S2)=CS1	REAL300020138250	1	39	-1.0	-42.83	352.04	5.67	-37.16
NC(=O)C1=CC(OC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=CC=N1	REAL300020138251	0	43	-1.0	-44.96	353.74	0.36	-44.60
NC(=O)C1=CC(OC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=CC=N1	REAL300020138251	1	43	-1.0	-44.96	353.68	0.34	-44.62
COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCC1=N[N-]N=N1	REAL300020138252	0	44	-1.0	-45.26	370.51	1.46	-43.80
COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCC1=NN=N[N-]1	REAL300020138252	1	44	-1.0	-45.27	370.57	1.48	-43.79
CN(C(=O)CCC1=N[N-]N=N1)C(C(N)=O)C1=CC=CC(Br)=C1	REAL300020138253	0	36	-1.0	-43.38	321.38	1.84	-41.54
CN(C(=O)CCC1=NN=N[N-]1)C(C(N)=O)C1=CC=CC(Br)=C1	REAL300020138253	1	36	-1.0	-43.42	321.44	1.85	-41.57
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1	REAL300020138254	0	41	-1.0	-42.38	341.63	5.85	-36.53
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1	REAL300020138254	1	41	-1.0	-42.42	341.69	5.86	-36.56
COC(=O)CCN1CCN(C(=O)CCC2=N[N-]N=N2)CC1C	REAL300020138255	0	43	-1.0	-42.36	342.07	2.44	-39.92
COC(=O)CCN1CCN(C(=O)CCC2=NN=N[N-]2)CC1C	REAL300020138255	1	43	-1.0	-42.37	342.12	2.46	-39.91
COC(=O)CC[N@@H+]1CCN(C(=O)CCC2=N[N-]N=N2)CC1C	REAL300020138255	1	44	0.0	-67.98	339.62	4.71	-63.27
COC(=O)CC[N@H+]1CCN(C(=O)CCC2=N[N-]N=N2)CC1C	REAL300020138255	1	44	0.0	-67.95	339.62	4.69	-63.26
COC(=O)CC[N@@H+]1CCN(C(=O)CCC2=NN=N[N-]2)CC1C	REAL300020138255	1	44	0.0	-67.93	339.68	4.73	-63.20
COC(=O)CC[N@H+]1CCN(C(=O)CCC2=NN=N[N-]2)CC1C	REAL300020138255	1	44	0.0	-67.98	339.68	4.71	-63.27
CC(C)(C)OC(=O)N1C2CCC1(CNC(=O)CCC1=N[N-]N=N1)CC2	REAL300020138256	0	50	-1.0	-46.01	385.62	4.88	-41.13
CC(C)(C)OC(=O)N1C2CCC1(CNC(=O)CCC1=NN=N[N-]1)CC2	REAL300020138256	1	50	-1.0	-45.98	385.68	4.89	-41.09
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=NN1C1=CC=CC=C1Cl	REAL300020138257	0	36	-1.0	-44.90	325.15	5.87	-39.03
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=NN1C1=CC=CC=C1Cl	REAL300020138257	1	36	-1.0	-44.88	325.20	5.89	-38.99
CC(C)(C)OC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020138258	0	41	-1.0	-39.82	338.69	2.97	-36.85
CC(C)(C)OC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020138258	1	41	-1.0	-39.83	338.63	2.95	-36.88
COC(=O)C(C)(C)C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020138259	0	44	-1.0	-41.30	335.98	4.81	-36.49
COC(=O)C(C)(C)C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020138259	1	44	-1.0	-41.31	336.04	4.82	-36.49
COC1=CC=C(COCCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138260	0	40	-1.0	-42.98	342.55	2.08	-40.90
COC1=CC=C(COCCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138260	1	40	-1.0	-42.96	342.60	2.10	-40.86
CC1=CC=CC=C1CNC1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020138261	0	44	-1.0	-40.46	361.55	6.20	-34.26
CC1=CC=CC=C1CNC1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138261	1	44	-1.0	-40.47	361.61	6.21	-34.26
C[N@H+](CCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1)C1CC1	REAL300020138262	0	45	0.0	-66.32	361.61	6.73	-59.59
C[N@@H+](CCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1)C1CC1	REAL300020138262	1	45	0.0	-66.50	361.62	6.74	-59.76
C[N@H+](CCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1)C1CC1	REAL300020138262	1	45	0.0	-66.35	361.67	6.74	-59.61
C[N@@H+](CCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1)C1CC1	REAL300020138262	1	45	0.0	-66.52	361.68	6.75	-59.77
COC(C1=CC=CC=C1Cl)C(C)NC(=O)CCC1=N[N-]N=N1	REAL300020138263	0	39	-1.0	-39.56	328.85	3.53	-36.03
COC(C1=CC=CC=C1Cl)C(C)NC(=O)CCC1=NN=N[N-]1	REAL300020138263	1	39	-1.0	-39.60	328.91	3.54	-36.06
O=C(CCC1=N[N-]N=N1)NC1CC(=O)N(C2=C(F)C=CC=C2F)C1	REAL300020138264	0	37	-1.0	-47.62	333.82	3.67	-43.95
O=C(CCC1=NN=N[N-]1)NC1CC(=O)N(C2=C(F)C=CC=C2F)C1	REAL300020138264	1	37	-1.0	-47.63	333.87	3.69	-43.94
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=NN=C(C3CC3)N2)C1	REAL300020138265	0	42	-1.0	-46.31	340.67	5.16	-41.15
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=NN=C(C3CC3)N2)C1	REAL300020138265	1	42	-1.0	-46.31	340.72	5.17	-41.14
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C=C1OCC(F)F	REAL300020138266	0	33	-1.0	-43.02	300.78	3.32	-39.70
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C=C1OCC(F)F	REAL300020138266	1	33	-1.0	-43.01	300.84	3.34	-39.67
CN1C=NN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)C1=O	REAL300020138267	0	36	-1.0	-52.97	314.90	4.83	-48.14
CN1C=NN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)C1=O	REAL300020138267	1	36	-1.0	-52.97	314.95	4.85	-48.12
CCC1=NC2=CC=CC=C2N1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020138268	0	48	-1.0	-44.80	376.78	7.31	-37.49
CCC1=NC2=CC=CC=C2N1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020138268	1	48	-1.0	-44.84	376.84	7.33	-37.51
CCNS(=O)(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020138269	0	37	-1.0	-47.54	313.27	-1.23	-48.77
CCNS(=O)(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020138269	1	37	-1.0	-47.54	313.32	-1.21	-48.75
O=C(CCC1=N[N-]N=N1)NC1=CC=C(COC2=CC=CC=C2)C=C1	REAL300020138270	0	40	-1.0	-41.92	343.04	5.85	-36.07
O=C(CCC1=NN=N[N-]1)NC1=CC=C(COC2=CC=CC=C2)C=C1	REAL300020138270	1	40	-1.0	-41.92	343.10	5.86	-36.06
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=NN=C(C3CCCCC3)N2)C1	REAL300020138271	0	51	-1.0	-45.27	392.60	6.71	-38.56
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=NN=C(C3CCCCC3)N2)C1	REAL300020138271	1	51	-1.0	-45.31	392.65	6.72	-38.59
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(Cl)C(C(F)(F)F)=C1)C1CC1	REAL300020138272	0	39	-1.0	-39.50	351.94	6.38	-33.12
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(Cl)C(C(F)(F)F)=C1)C1CC1	REAL300020138272	1	39	-1.0	-39.51	352.00	6.39	-33.12
CC1=NC(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=C(Cl)C=C2)=NO1	REAL300020138273	0	37	-1.0	-43.39	343.25	2.39	-41.00
CC1=NC(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=C(Cl)C=C2)=NO1	REAL300020138273	1	37	-1.0	-43.42	343.31	2.40	-41.02
O=C(CCC1=N[N-]N=N1)NC1CCCOC2=CC(F)=CC=C21	REAL300020138274	0	37	-1.0	-39.17	307.22	4.31	-34.86
O=C(CCC1=NN=N[N-]1)NC1CCCOC2=CC(F)=CC=C21	REAL300020138274	1	37	-1.0	-39.18	307.28	4.33	-34.85
CC1C[NH+](CCOC2=CC=C(CCNC(=O)CCC3=N[N-]N=N3)C=C2)CC1C	REAL300020138275	0	58	0.0	-64.88	447.97	7.30	-57.58
CC1C[NH+](CCOC2=CC=C(CCNC(=O)CCC3=NN=N[N-]3)C=C2)CC1C	REAL300020138275	1	58	0.0	-64.92	448.03	7.32	-57.60
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020138276	0	50	0.0	-67.21	377.98	4.85	-62.36
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020138276	1	50	0.0	-67.22	378.03	4.86	-62.36
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COCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300020138294	1	36	-1.0	-40.70	318.92	2.89	-37.81
CCOC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1CCOCC1	REAL300020138295	0	42	-1.0	-39.63	334.80	2.25	-37.38
CCOC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1CCOCC1	REAL300020138295	1	42	-1.0	-39.62	334.86	2.26	-37.36
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CC(CC1=C(Cl)C=CC=C1Cl)NC(=O)CCC1=N[N-]N=N1	REAL300020138302	0	35	-1.0	-39.60	320.25	5.44	-34.16
CC(CC1=C(Cl)C=CC=C1Cl)NC(=O)CCC1=NN=N[N-]1	REAL300020138302	1	35	-1.0	-39.59	320.31	5.45	-34.14
CCCN(CCNC(=O)CCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020138303	0	48	-1.0	-44.75	383.38	3.73	-41.02
CCCN(CCNC(=O)CCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020138303	1	48	-1.0	-44.69	383.44	3.75	-40.94
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CC1=CC=C(CN2C=CC=C(NC(=O)CCC3=N[N-]N=N3)C2=O)C=C1	REAL300020138305	0	42	-1.0	-56.87	359.68	7.07	-49.80
CC1=CC=C(CN2C=CC=C(NC(=O)CCC3=NN=N[N-]3)C2=O)C=C1	REAL300020138305	1	42	-1.0	-56.84	359.73	7.09	-49.75
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O=C(CCC1=N[N-]N=N1)NC1CCN(C2=CC=C(Cl)C(F)=C2)C1	REAL300020138307	0	38	-1.0	-40.23	332.06	2.99	-37.24
O=C(CCC1=NN=N[N-]1)NC1CCN(C2=CC=C(Cl)C(F)=C2)C1	REAL300020138307	1	38	-1.0	-40.22	332.12	3.00	-37.22
O=C(CCC1=N[N-]N=N1)N1CCN(C(CO)C2=CC=C(Cl)C=C2)CC1	REAL300020138308	0	45	-1.0	-40.83	370.33	2.35	-38.48
O=C(CCC1=NN=N[N-]1)N1CCN(C(CO)C2=CC=C(Cl)C=C2)CC1	REAL300020138308	1	45	-1.0	-40.83	370.39	2.36	-38.47
COC1=CC=C(OC)C(CN(CCO)C(=O)CCC2=N[N-]N=N2)=C1	REAL300020138309	0	44	-1.0	-45.86	353.55	2.63	-43.23
COC1=CC=C(OC)C(CN(CCO)C(=O)CCC2=NN=N[N-]2)=C1	REAL300020138309	1	44	-1.0	-45.87	353.61	2.64	-43.23
COC1=CC=C(CN(CCO)C(=O)CCC2=N[N-]N=N2)C(OC)=C1	REAL300020138310	0	44	-1.0	-48.23	353.55	2.64	-45.59
COC1=CC=C(CN(CCO)C(=O)CCC2=NN=N[N-]2)C(OC)=C1	REAL300020138310	1	44	-1.0	-48.19	353.61	2.66	-45.53
O=C(CCC1=N[N-]N=N1)NNC1=CN=CC(Br)=C1	REAL300020138311	0	27	-1.0	-38.10	264.62	1.02	-37.08
O=C(CCC1=NN=N[N-]1)NNC1=CN=CC(Br)=C1	REAL300020138311	1	27	-1.0	-38.13	264.68	1.03	-37.10
CCOC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(O)=C1	REAL300020138312	0	36	-1.0	-40.27	318.36	1.41	-38.86
CCOC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(O)=C1	REAL300020138312	1	36	-1.0	-40.26	318.41	1.43	-38.83
NS(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1[O-]	REAL300020138313	0	31	-2.0	-86.54	291.94	-3.91	-90.45
NS(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1[O-]	REAL300020138313	1	31	-2.0	-86.55	292.00	-3.90	-90.45
NS(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1O	REAL300020138313	1	32	-1.0	-43.96	295.36	-4.75	-48.71
NS(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1O	REAL300020138313	1	32	-1.0	-43.92	295.42	-4.74	-48.66
O=C(CCC1=N[N-]N=N1)NC1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300020138314	0	40	-1.0	-42.10	343.81	4.30	-37.80
O=C(CCC1=NN=N[N-]1)NC1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300020138314	1	40	-1.0	-42.11	343.87	4.31	-37.80
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=CC(Br)=C1[O-]	REAL300020138315	0	26	-2.0	-79.48	274.58	1.79	-77.69
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=CC(Br)=C1[O-]	REAL300020138315	1	26	-2.0	-79.50	274.64	1.79	-77.71
COC1=CC=C(S(=O)(=O)N2CC(NC(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020138316	0	42	-1.0	-47.02	371.05	-0.39	-47.41
COC1=CC=C(S(=O)(=O)N2CC(NC(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020138316	1	42	-1.0	-47.02	371.11	-0.38	-47.40
CCOC(=O)CC1(CNC(=O)CCC2=N[N-]N=N2)CCCCC1	REAL300020138317	0	47	-1.0	-43.90	357.96	4.90	-39.00
CCOC(=O)CC1(CNC(=O)CCC2=NN=N[N-]2)CCCCC1	REAL300020138317	1	47	-1.0	-43.86	358.01	4.91	-38.95
CC(C)(C)OC(=O)N1CC(CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020138318	0	43	-1.0	-44.08	353.12	2.05	-42.03
CC(C)(C)OC(=O)N1CC(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020138318	1	43	-1.0	-44.07	353.17	2.07	-42.00
CN1CCC(CNC(=O)CCC2=N[N-]N=N2)C1C1=CC=C(Cl)C(F)=C1	REAL300020138319	0	44	-1.0	-40.54	380.46	4.23	-36.31
C[N@@H+]1CCC(CNC(=O)CCC2=NN=N[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300020138319	1	45	0.0	-75.89	361.18	5.09	-70.80
C[N@H+]1CCC(CNC(=O)CCC2=NN=N[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300020138319	1	45	0.0	-67.89	380.36	6.41	-61.48
CN1CCC(CNC(=O)CCC2=NN=N[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300020138319	1	44	-1.0	-40.56	380.52	4.25	-36.31
C[NH+](C)CCOC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=N1	REAL300020138320	0	44	0.0	-61.62	363.41	1.80	-59.82
C[NH+](C)CCOC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=N1	REAL300020138320	1	44	0.0	-61.62	363.47	1.81	-59.81
COC(=O)CCSC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138321	0	39	-1.0	-44.20	348.91	5.28	-38.92
COC(=O)CCSC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138321	1	39	-1.0	-44.22	348.96	5.29	-38.93
CC(C)CNS(=O)(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138322	0	46	-1.0	-44.38	396.27	1.18	-43.20
CC(C)CNS(=O)(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138322	1	46	-1.0	-44.39	396.33	1.19	-43.20
COC1=CC=C(CC(C)CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138323	0	42	-1.0	-40.78	344.88	4.10	-36.68
COC1=CC=C(CC(C)CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138323	1	42	-1.0	-40.80	344.94	4.11	-36.69
CC1=C(C(C)N(C)C(=O)CCC2=N[N-]N=N2)SC(C(C)C)=N1	REAL300020138324	0	43	-1.0	-40.45	354.20	4.88	-35.57
CC1=C(C(C)N(C)C(=O)CCC2=NN=N[N-]2)SC(C(C)C)=N1	REAL300020138324	1	43	-1.0	-40.42	354.26	4.89	-35.53
O=C(CCC1=N[N-]N=N1)NCC1(C2=CC=CC=C2Cl)CCCCC1	REAL300020138325	0	45	-1.0	-40.02	350.99	6.30	-33.72
O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2Cl)CCCCC1	REAL300020138325	1	45	-1.0	-40.04	351.04	6.32	-33.72
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300020138326	0	26	-2.0	-82.97	271.05	1.60	-81.37
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300020138326	1	26	-2.0	-82.97	271.11	1.61	-81.36
O=C(CCC1=N[N-]N=N1)NCCCN(C1CC1)S(=O)(=O)C1=CC=CC(F)=C1	REAL300020138327	0	47	-1.0	-44.90	404.83	3.00	-41.90
O=C(CCC1=NN=N[N-]1)NCCCN(C1CC1)S(=O)(=O)C1=CC=CC(F)=C1	REAL300020138327	1	47	-1.0	-44.88	404.89	3.02	-41.86
COC1=CC=C(CC(C)CN(C)C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138328	0	45	-1.0	-42.72	358.75	6.01	-36.71
COC1=CC=C(CC(C)CN(C)C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138328	1	45	-1.0	-42.75	358.81	6.02	-36.73
O=C(CCC1=N[N-]N=N1)NCC1(C2CCCCC2)CCCCC1	REAL300020138329	0	51	-1.0	-38.84	355.96	7.03	-31.81
O=C(CCC1=NN=N[N-]1)NCC1(C2CCCCC2)CCCCC1	REAL300020138329	1	51	-1.0	-38.84	356.03	7.04	-31.80
CN1CCOC(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=C(Cl)C=C2)C1	REAL300020138330	0	45	-1.0	-39.52	374.64	2.32	-37.20
CN1CCOC(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=C(Cl)C=C2)C1	REAL300020138330	1	45	-1.0	-39.52	374.69	2.34	-37.18
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COC1=CC=C(CN(C(=O)CCC2=N[N-]N=N2)[C@H](CO)C(C)C)C=C1	REAL300020138334	0	49	-1.0	-46.95	373.95	3.33	-43.62
COC1=CC=C(CN(C(=O)CCC2=NN=N[N-]2)[C@H](CO)C(C)C)C=C1	REAL300020138334	1	49	-1.0	-46.92	374.01	3.34	-43.58
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COC(=O)C(CNC(=O)CCC1=N[N-]N=N1)OC1=CC=C(F)C=C1	REAL300020138344	0	39	-1.0	-43.00	347.48	3.68	-39.32
COC(=O)C(CNC(=O)CCC1=NN=N[N-]1)OC1=CC=C(F)C=C1	REAL300020138344	1	39	-1.0	-43.04	347.54	3.69	-39.35
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CC(C)(C)C1=CC=C(C(C)(C)CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138346	0	50	-1.0	-39.63	383.48	6.84	-32.79
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CC1=C(C)SC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020138348	1	40	-1.0	-40.83	332.99	3.24	-37.59
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COC1=CC=C(C2=NNC(C(=O)NNC(=O)CCC3=N[N-]N=N3)=C2)C=C1OC	REAL300020138352	0	45	-1.0	-44.32	390.56	0.71	-43.61
COC1=CC=C(C2=NNC(C(=O)NNC(=O)CCC3=NN=N[N-]3)=C2)C=C1OC	REAL300020138352	1	45	-1.0	-44.35	390.62	0.73	-43.62
COC1=CC=CC=C1C1=NNC(C(=O)NNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138353	0	41	-1.0	-43.63	359.12	1.08	-42.55
COC1=CC=CC=C1C1=NNC(C(=O)NNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138353	1	41	-1.0	-43.63	359.18	1.09	-42.54
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CCC1=CC=C(C2=NNC(C(=O)NNC(=O)CCC3=N[N-]N=N3)=C2)C=C1	REAL300020138355	0	43	-1.0	-41.05	374.72	2.93	-38.12
CCC1=CC=C(C2=NNC(C(=O)NNC(=O)CCC3=NN=N[N-]3)=C2)C=C1	REAL300020138355	1	43	-1.0	-41.02	374.78	2.95	-38.07
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1	REAL300020138356	0	37	-1.0	-40.87	338.24	1.56	-39.31
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CC1=CC=C(C2=NNC(C(=O)NNC(=O)CCC3=N[N-]N=N3)=C2)C=C1C	REAL300020138357	0	43	-1.0	-41.58	370.27	2.69	-38.89
CC1=CC=C(C2=NNC(C(=O)NNC(=O)CCC3=NN=N[N-]3)=C2)C=C1C	REAL300020138357	1	43	-1.0	-41.52	370.33	2.70	-38.82
CC1=CC=C(C)C(C2=NNC(C(=O)NNC(=O)CCC3=N[N-]N=N3)=C2)=C1	REAL300020138358	0	43	-1.0	-41.19	368.56	3.03	-38.16
CC1=CC=C(C)C(C2=NNC(C(=O)NNC(=O)CCC3=NN=N[N-]3)=C2)=C1	REAL300020138358	1	43	-1.0	-41.21	368.61	3.05	-38.16
O=C(CCC1=N[N-]N=N1)NCCCC1=NN=C2CCCCN12	REAL300020138359	0	41	-1.0	-48.09	338.02	4.19	-43.90
O=C(CCC1=NN=N[N-]1)NCCCC1=NN=C2CCCCN12	REAL300020138359	1	41	-1.0	-48.08	338.07	4.21	-43.87
COC1=CC=C(C(C)(C)NC(=O)CCC2=N[N-]N=N2)C(O)=C1	REAL300020138360	0	40	-1.0	-41.44	320.77	0.74	-40.70
COC1=CC=C(C(C)(C)NC(=O)CCC2=NN=N[N-]2)C(O)=C1	REAL300020138360	1	40	-1.0	-41.41	320.83	0.75	-40.66
CC(C)(C)C1=NC(CCNC(=O)CCC2=N[N-]N=N2)=CS1	REAL300020138361	0	40	-1.0	-42.03	345.83	2.98	-39.05
CC(C)(C)C1=NC(CCNC(=O)CCC2=NN=N[N-]2)=CS1	REAL300020138361	1	40	-1.0	-42.03	345.89	3.00	-39.03
CCCCCCCCCCC(C)NC(=O)CCC1=N[N-]N=N1	REAL300020138362	0	52	-1.0	-39.05	410.92	7.69	-31.36
CCCCCCCCCCC(C)NC(=O)CCC1=NN=N[N-]1	REAL300020138362	1	52	-1.0	-39.05	410.97	7.71	-31.34
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020138363	0	46	-1.0	-42.38	372.11	3.71	-38.67
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138363	1	46	-1.0	-42.39	372.17	3.72	-38.67
O=C(CCC1=N[N-]N=N1)NCC(O)C1=CC=C(Cl)C(F)=C1	REAL300020138364	0	33	-1.0	-41.81	309.14	0.96	-40.85
O=C(CCC1=NN=N[N-]1)NCC(O)C1=CC=C(Cl)C(F)=C1	REAL300020138364	1	33	-1.0	-41.81	309.20	0.98	-40.83
CC(C)CN1N=CC(NC(=O)CCC2=N[N-]N=N2)=C1C(F)F	REAL300020138365	0	38	-1.0	-41.47	319.59	3.39	-38.08
CC(C)CN1N=CC(NC(=O)CCC2=NN=N[N-]2)=C1C(F)F	REAL300020138365	1	38	-1.0	-41.48	319.65	3.40	-38.08
COC1=CC(Br)=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138366	0	30	-1.0	-40.39	282.57	2.49	-37.90
COC1=CC(Br)=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138366	1	30	-1.0	-40.37	282.63	2.51	-37.86
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CCC1=N[N-]N=N1	REAL300020138367	0	46	-1.0	-44.49	383.02	-0.31	-44.80
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CCC1=NN=N[N-]1	REAL300020138367	1	46	-1.0	-44.50	383.07	-0.29	-44.79
CC(C)(C)OC(=O)C1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL300020138368	0	44	-1.0	-44.15	336.12	6.29	-37.86
CC(C)(C)OC(=O)C1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL300020138368	1	44	-1.0	-44.15	336.18	6.31	-37.84
CC(C)(C)OC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=N1	REAL300020138369	0	41	-1.0	-40.40	338.76	2.86	-37.54
CC(C)(C)OC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=N1	REAL300020138369	1	41	-1.0	-40.37	338.82	2.87	-37.50
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020138370	0	41	-1.0	-39.52	334.12	3.93	-35.59
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020138370	1	41	-1.0	-39.53	334.18	3.94	-35.59
COC(=O)CN1N=C(C)C(CNC(=O)CCC2=N[N-]N=N2)=C1C	REAL300020138371	0	41	-1.0	-46.55	354.69	2.49	-44.06
COC(=O)CN1N=C(C)C(CNC(=O)CCC2=NN=N[N-]2)=C1C	REAL300020138371	1	41	-1.0	-46.60	354.75	2.50	-44.10
N#CC1=CC=C(C2=CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020138372	0	38	-1.0	-41.69	329.75	6.79	-34.90
N#CC1=CC=C(C2=CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020138372	1	38	-1.0	-41.73	329.80	6.81	-34.92
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C(=O)N2CCCC(CO)C2)=C1	REAL300020138373	0	47	-1.0	-58.04	377.57	1.74	-56.30
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C(=O)N2CCCC(CO)C2)=C1	REAL300020138373	1	47	-1.0	-58.05	377.63	1.75	-56.30
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C(=O)N2CCCC(O)C2)=C1	REAL300020138374	0	44	-1.0	-51.72	357.47	1.13	-50.59
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C(=O)N2CCCC(O)C2)=C1	REAL300020138374	1	44	-1.0	-51.74	357.52	1.14	-50.60
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C(=O)N2CCC(O)CC2)=C1	REAL300020138375	0	44	-1.0	-55.50	358.21	1.15	-54.35
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C(=O)N2CCC(O)CC2)=C1	REAL300020138375	1	44	-1.0	-55.55	358.27	1.16	-54.39
O=C(CCC1=N[N-]N=N1)NC(CO)C1=CC=C(C(F)(F)F)C=C1	REAL300020138376	0	36	-1.0	-39.74	322.64	1.35	-38.39
O=C(CCC1=NN=N[N-]1)NC(CO)C1=CC=C(C(F)(F)F)C=C1	REAL300020138376	1	36	-1.0	-39.77	322.69	1.37	-38.40
CC(C)OC1=CC=CC(CN(C)C(=O)CCC2=N[N-]N=N2)=C1	REAL300020138377	0	42	-1.0	-44.83	344.01	5.65	-39.18
CC(C)OC1=CC=CC(CN(C)C(=O)CCC2=NN=N[N-]2)=C1	REAL300020138377	1	42	-1.0	-44.84	344.07	5.67	-39.17
O=C(CCC1=NN=N[N-]1)NCCC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300020138378	0	38	-1.0	-43.21	360.34	4.81	-38.40
O=C(CCC1=N[N-]N=N1)NCCC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300020138378	1	38	-1.0	-43.22	360.28	4.79	-38.43
O=C(CCC1=NN=N[N-]1)NC1=CC=NN1CC1=CN(C2=CC=CC=C2)N=C1	REAL300020138379	0	43	-1.0	-44.38	372.45	6.34	-38.04
O=C(CCC1=N[N-]N=N1)NC1=CC=NN1CC1=CN(C2=CC=CC=C2)N=C1	REAL300020138379	1	43	-1.0	-44.38	372.39	6.33	-38.05
COC1=CC=CC(CN2C=CC3=CC=C(NC(=O)CCC4=N[N-]N=N4)C=C32)=C1	REAL300020138380	0	47	-1.0	-47.24	394.77	7.46	-39.78
COC1=CC=CC(CN2C=CC3=CC=C(NC(=O)CCC4=NN=N[N-]4)C=C32)=C1	REAL300020138380	1	47	-1.0	-47.19	394.83	7.47	-39.72
CC(C)CCNS(=O)(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138381	0	46	-1.0	-44.55	389.69	1.65	-42.90
CC(C)CCNS(=O)(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138381	1	46	-1.0	-44.57	389.74	1.67	-42.90
O=C(CCC1=N[N-]N=N1)N1CCNC(=O)C1C1=CC=C(C(F)(F)F)C=C1	REAL300020138382	0	40	-1.0	-43.60	345.00	3.34	-40.26
O=C(CCC1=NN=N[N-]1)N1CCNC(=O)C1C1=CC=C(C(F)(F)F)C=C1	REAL300020138382	1	40	-1.0	-43.63	345.05	3.35	-40.28
C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300020138383	0	32	-1.0	-40.31	291.22	4.03	-36.28
C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300020138383	1	32	-1.0	-40.31	291.27	4.05	-36.26
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COC1=CC=C(CN2CCCN(C(=O)CCC3=N[N-]N=N3)CC2=O)C=C1	REAL300020138487	0	47	-1.0	-53.02	379.39	5.11	-47.91
COC1=CC=C(CN2CCCN(C(=O)CCC3=NN=N[N-]3)CC2=O)C=C1	REAL300020138487	1	47	-1.0	-53.03	379.45	5.12	-47.91
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O=C(CCC1=NN=N[N-]1)NC1(CC2=CC=CC=C2)CCCCC1	REAL300020138488	1	45	-1.0	-40.45	342.61	7.04	-33.41
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1OCC(=O)NC1=CC=CN=C1	REAL300020138489	0	43	-1.0	-52.20	371.15	3.43	-48.77
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1OCC(=O)NC1=CC=CN=C1	REAL300020138489	1	43	-1.0	-52.19	371.10	3.42	-48.77
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1NC(=O)CC[NH+](C)C	REAL300020138490	0	48	0.0	-73.97	383.36	4.40	-69.57
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1NC(=O)CC[NH+](C)C	REAL300020138490	1	48	0.0	-73.96	383.42	4.41	-69.55
CC(C)C1=CC=C(CC2CCN(C(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020138491	0	48	-1.0	-40.21	382.97	8.34	-31.87
CC(C)C1=CC=C(CC2CCN(C(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020138491	1	48	-1.0	-40.23	383.03	8.36	-31.87
CC1=CC=C(C(CC(F)(F)F)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138492	0	38	-1.0	-42.07	323.27	5.15	-36.92
CC1=CC=C(C(CC(F)(F)F)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138492	1	38	-1.0	-42.04	323.33	5.17	-36.87
O=C(CCC1=N[N-]N=N1)NC1=CC=C(NC(=O)C2=CC=CC(Cl)=C2)C(F)=C1	REAL300020138493	0	40	-1.0	-43.37	365.14	5.22	-38.15
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O=C(CCC1=NN=N[N-]1)N(CCCOC1=CC=CC=C1)C1CCOCC1	REAL300020138494	1	50	-1.0	-41.74	392.71	5.90	-35.84
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1N1CCC([NH+](C)C)C1	REAL300020138495	0	50	0.0	-66.46	387.41	5.49	-60.97
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1N1CCC([NH+](C)C)C1	REAL300020138495	1	50	0.0	-66.48	387.47	5.51	-60.97
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020138496	0	40	-1.0	-40.68	317.68	3.28	-37.40
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020138496	1	40	-1.0	-40.70	317.73	3.29	-37.41
CN(NC(=O)CCC1=N[N-]N=N1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020138497	0	52	-1.0	-44.57	405.63	3.66	-40.91
CN(NC(=O)CCC1=NN=N[N-]1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020138497	1	52	-1.0	-44.54	405.68	3.67	-40.87
CCOC(=O)[C@H](CC1=CC=C(O)C(O)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020138498	0	43	-1.0	-50.11	374.83	0.67	-49.44
CCOC(=O)[C@H](CC1=CC=C(O)C(O)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020138498	1	43	-1.0	-50.14	374.89	0.68	-49.46
O=C(CCC1=N[N-]N=N1)NCC1=NN=C(C2CC2)N1C1CC1	REAL300020138499	0	39	-1.0	-44.50	335.75	4.55	-39.95
O=C(CCC1=NN=N[N-]1)NCC1=NN=C(C2CC2)N1C1CC1	REAL300020138499	1	39	-1.0	-44.47	335.80	4.56	-39.91
O=C(CCC1=N[N-]N=N1)N1CCCN(C2=NC3=CC([N+](=O)[O-])=CC=C3N2)CC1	REAL300020138500	0	46	-1.0	-47.07	376.49	6.91	-40.16
O=C(CCC1=NN=N[N-]1)N1CCCN(C2=NC3=CC([N+](=O)[O-])=CC=C3N2)CC1	REAL300020138500	1	46	-1.0	-47.07	376.54	6.93	-40.14
O=C(CCC1=N[N-]N=N1)NC1=CNC(C(=O)N2CCCC2)=C1	REAL300020138501	0	38	-1.0	-43.59	314.99	1.95	-41.64
O=C(CCC1=NN=N[N-]1)NC1=CNC(C(=O)N2CCCC2)=C1	REAL300020138501	1	38	-1.0	-43.61	315.05	1.97	-41.64
CSC1CN(C(=O)CCC2=N[N-]N=N2)CC1[NH+]1CCCC1	REAL300020138502	0	43	0.0	-55.36	337.95	5.24	-50.12
CSC1CN(C(=O)CCC2=NN=N[N-]2)CC1[NH+]1CCCC1	REAL300020138502	1	43	0.0	-55.34	338.00	5.26	-50.08
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CCC1=N[N-]N=N1	REAL300020138503	0	44	-1.0	-41.56	358.29	3.84	-37.72
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)CCC1=NN=N[N-]1	REAL300020138503	1	44	-1.0	-41.59	358.34	3.86	-37.73
CCN(C(=O)CCC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020138504	0	48	0.0	-56.21	369.12	7.97	-48.24
CCN(C(=O)CCC1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020138504	1	48	0.0	-62.48	362.70	7.75	-54.73
CCN(C(=O)CCC1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020138504	1	48	0.0	-56.22	369.18	7.99	-48.23
CCN(C(=O)CCC1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020138504	1	48	0.0	-62.51	362.76	7.77	-54.74
CCC(CC)(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(OC)C(OC)=C1	REAL300020138505	0	52	-1.0	-42.62	397.85	4.72	-37.90
CCC(CC)(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(OC)C(OC)=C1	REAL300020138505	1	52	-1.0	-42.63	397.91	4.73	-37.90
COCC1=CC=C(C2CCCN2C(=O)CCC2=N[N-]N=N2)O1	REAL300020138506	0	40	-1.0	-46.58	337.04	3.79	-42.79
COCC1=CC=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)O1	REAL300020138506	1	40	-1.0	-46.59	337.09	3.80	-42.79
CC(C)(C)OC(=O)C1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL300020138507	0	44	-1.0	-44.15	336.12	6.29	-37.86
CC(C)(C)OC(=O)C1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL300020138507	1	44	-1.0	-44.15	336.18	6.31	-37.84
O=C(CCC1=N[N-]N=N1)NCC(O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020138508	0	43	-1.0	-42.14	360.73	3.80	-38.34
O=C(CCC1=NN=N[N-]1)NCC(O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020138508	1	43	-1.0	-42.14	360.79	3.81	-38.33
O=C(CCC1=N[N-]N=N1)NC1CCC(O)(C2=CC=CC=C2)CC1	REAL300020138509	0	43	-1.0	-40.68	337.55	3.25	-37.43
O=C(CCC1=NN=N[N-]1)NC1CCC(O)(C2=CC=CC=C2)CC1	REAL300020138509	1	43	-1.0	-40.67	337.60	3.27	-37.40
O=C(CCC1=N[N-]N=N1)N1CCCC(CC2=CSC3=CC=CC=C23)C1	REAL300020138510	0	45	-1.0	-44.04	371.01	8.44	-35.60
O=C(CCC1=NN=N[N-]1)N1CCCC(CC2=CSC3=CC=CC=C23)C1	REAL300020138510	1	45	-1.0	-44.08	371.07	8.45	-35.63
CC(O)(CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020138511	0	36	-1.0	-41.25	308.36	1.21	-40.04
CC(O)(CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020138511	1	36	-1.0	-41.21	308.42	1.22	-39.99
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020138512	0	37	-1.0	-45.15	319.88	4.44	-40.71
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020138512	1	37	-1.0	-45.15	319.94	4.46	-40.69
CC(C)N1N=CC2=C1C(NC(=O)CCC1=N[N-]N=N1)CCC2	REAL300020138513	0	42	-1.0	-38.99	339.30	4.39	-34.60
CC(C)N1N=CC2=C1C(NC(=O)CCC1=NN=N[N-]1)CCC2	REAL300020138513	1	42	-1.0	-38.96	339.36	4.41	-34.55
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(OCC2=CC=CC=C2F)C=C1	REAL300020138514	0	43	-1.0	-41.01	372.57	6.14	-34.87
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(OCC2=CC=CC=C2F)C=C1	REAL300020138514	1	43	-1.0	-41.02	372.63	6.16	-34.86
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020138515	0	43	-1.0	-44.73	377.80	5.95	-38.78
CC1=CC(NC(=O)C2=CC=CC(Cl)=C2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138515	1	43	-1.0	-44.75	377.85	5.97	-38.78
COCCN1C2=CC=CC=C2N=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138516	0	39	-1.0	-46.82	336.04	5.71	-41.11
COCCN1C2=CC=CC=C2N=C1NC(=O)CCC1=N[N-]N=N1	REAL300020138516	1	39	-1.0	-46.85	335.98	5.69	-41.16
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020138517	0	39	-1.0	-40.66	337.02	6.53	-34.13
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020138517	1	39	-1.0	-40.72	337.08	6.54	-34.18
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C(C)=C1	REAL300020138518	0	38	-1.0	-42.75	335.94	4.45	-38.30
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C(C)=C1	REAL300020138518	1	38	-1.0	-42.71	336.00	4.46	-38.25
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1OC(C)C	REAL300020138519	0	40	-1.0	-41.27	330.21	3.33	-37.94
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1OC(C)C	REAL300020138519	1	40	-1.0	-41.27	330.27	3.34	-37.93
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300020138520	0	41	-1.0	-52.47	354.20	1.20	-51.27
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300020138520	1	41	-1.0	-52.45	354.26	1.22	-51.23
COC(=O)C1=CN(C2CCN(C(=O)CCC3=NN=N[N-]3)C2)N=N1	REAL300020138521	0	38	-1.0	-45.86	331.70	1.99	-43.87
COC(=O)C1=CN(C2CCN(C(=O)CCC3=N[N-]N=N3)C2)N=N1	REAL300020138521	1	38	-1.0	-45.87	331.65	1.98	-43.89
CC1(C2=CC=C(F)C(F)=C2)CC1NC(=O)CCC1=N[N-]N=N1	REAL300020138522	0	36	-1.0	-39.94	320.37	5.16	-34.78
CC1(C2=CC=C(F)C(F)=C2)CC1NC(=O)CCC1=NN=N[N-]1	REAL300020138522	1	36	-1.0	-39.95	320.42	5.17	-34.78
O=C(CCC1=N[N-]N=N1)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1	REAL300020138523	0	43	-1.0	-44.75	371.65	5.24	-39.51
O=C(CCC1=NN=N[N-]1)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1	REAL300020138523	1	43	-1.0	-44.76	371.71	5.25	-39.51
CCCC1=C(NC(=O)CCC2=N[N-]N=N2)C=NN1C1=CC(C)=CC=N1	REAL300020138524	0	44	-1.0	-43.78	366.73	6.19	-37.59
CCCC1=C(NC(=O)CCC2=NN=N[N-]2)C=NN1C1=CC(C)=CC=N1	REAL300020138524	1	44	-1.0	-43.81	366.78	6.21	-37.60
CC1CCCCN1C1=CC=C2C(=C1)CCCN2C(=O)CCC1=N[N-]N=N1	REAL300020138525	0	51	-1.0	-39.99	383.51	7.05	-32.94
CC1CCCCN1C1=CC=C2C(=C1)CCCN2C(=O)CCC1=NN=N[N-]1	REAL300020138525	1	51	-1.0	-40.00	383.57	7.07	-32.93
CC1=CN(C2=CC=C(C#N)C=N2)N=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138526	0	36	-1.0	-45.73	331.09	5.35	-40.38
CC1=CN(C2=CC=C(C#N)C=N2)N=C1NC(=O)CCC1=N[N-]N=N1	REAL300020138526	1	36	-1.0	-45.74	331.04	5.34	-40.40
CC(C)(C)OC(=O)NCCN(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020138528	0	52	-1.0	-45.91	417.37	5.33	-40.58
CC(C)(C)OC(=O)NCCN(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020138528	1	52	-1.0	-45.85	417.42	5.35	-40.50
CC(C)OC1=C(CNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL300020138529	0	45	-1.0	-43.05	367.72	5.72	-37.33
CC(C)OC1=C(CNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL300020138529	1	45	-1.0	-43.04	367.77	5.74	-37.30
CCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C2=NC=CC=C12	REAL300020138530	0	38	-1.0	-42.72	321.64	3.45	-39.27
CCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C2=NC=CC=C12	REAL300020138530	1	38	-1.0	-42.66	321.58	3.43	-39.23
CCOC1=CC=C(C2=CN(C3CN(C(=O)CCC4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020138531	0	46	-1.0	-45.99	389.32	4.59	-41.40
CCOC1=CC=C(C2=CN(C3CN(C(=O)CCC4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020138531	1	46	-1.0	-46.00	389.38	4.60	-41.40
CC1(C2=CC=CC=C2)NC(=O)N(NC(=O)CCC2=N[N-]N=N2)C1=O	REAL300020138532	0	38	-1.0	-46.66	331.99	1.74	-44.92
CC1(C2=CC=CC=C2)NC(=O)N(NC(=O)CCC2=NN=N[N-]2)C1=O	REAL300020138532	1	38	-1.0	-46.64	332.05	1.76	-44.88
CN(C)C(=O)C1=CC(F)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020138533	0	36	-1.0	-42.34	311.03	2.79	-39.55
CN(C)C(=O)C1=CC(F)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138533	1	36	-1.0	-42.32	311.08	2.81	-39.51
O=C(CCC1=N[N-]N=N1)N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020138534	0	37	-1.0	-39.37	323.28	4.75	-34.62
O=C(CCC1=NN=N[N-]1)N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020138534	1	37	-1.0	-39.40	323.34	4.76	-34.64
O=C(CCC1=N[N-]N=N1)NCC1=CC2=CC(Br)=CC=C2N1	REAL300020138535	0	33	-1.0	-39.42	310.84	3.23	-36.19
O=C(CCC1=NN=N[N-]1)NCC1=CC2=CC(Br)=CC=C2N1	REAL300020138535	1	33	-1.0	-39.42	310.89	3.25	-36.17
CC(O)(C1CCN(C(=O)CCC2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020138536	0	39	-1.0	-40.26	311.35	1.80	-38.46
CC(O)(C1CCN(C(=O)CCC2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020138536	1	39	-1.0	-40.26	311.41	1.81	-38.45
COC1=CC=CC(S(C)(=O)=O)=C1NNC(=O)CCC1=N[N-]N=N1	REAL300020138537	0	38	-1.0	-46.55	332.07	-0.21	-46.76
COC1=CC=CC(S(C)(=O)=O)=C1NNC(=O)CCC1=NN=N[N-]1	REAL300020138537	1	38	-1.0	-46.62	332.13	-0.20	-46.82
CCOC1=C(Cl)C=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020138538	0	33	-1.0	-38.99	318.90	4.06	-34.93
CCOC1=C(Cl)C=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020138538	1	33	-1.0	-38.99	318.96	4.07	-34.92
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CC(C)(C)OC(=O)NCCCCNC(=O)CCC1=NN=N[N-]1	REAL300020138624	1	45	-1.0	-43.66	367.24	1.01	-42.65
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CC[NH+](CC)CCOCCN(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020138675	0	57	0.0	-63.40	432.13	8.26	-55.14
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CCCOC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(C)=C1	REAL300020138692	1	42	-1.0	-39.36	347.61	4.52	-34.84
O=C(CCC1=N[N-]N=N1)NCC(CO)CC1=CC=C(Br)C=C1	REAL300020138693	0	39	-1.0	-41.16	344.80	2.69	-38.47
O=C(CCC1=NN=N[N-]1)NCC(CO)CC1=CC=C(Br)C=C1	REAL300020138693	1	39	-1.0	-41.14	344.86	2.70	-38.44
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O=C(CCC1=NN=N[N-]1)NCC(CO)CC1=CC=CC(Br)=C1	REAL300020138694	1	39	-1.0	-39.99	343.88	2.68	-37.31
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COC1=CC=CC=C1C1=NC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=NO1	REAL300020138696	1	48	-1.0	-47.10	394.44	4.89	-42.21
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CC1=CC=C(N2N=CC(NC(=O)CCC3=NN=N[N-]3)=C2C(C)C)C=C1	REAL300020138697	1	45	-1.0	-43.40	362.31	6.35	-37.05
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O=C(CCC1=N[N-]N=N1)N1CCCN(C2=NN=C(C(F)(F)F)S2)CC1	REAL300020138698	1	39	-1.0	-39.40	346.28	3.45	-35.95
COC(=O)C1=C(C2CC2)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020138699	0	35	-1.0	-46.31	321.59	3.96	-42.35
COC(=O)C1=C(C2CC2)SC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020138699	1	35	-1.0	-46.32	321.53	3.94	-42.38
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O=C(CCC1=N[N-]N=N1)N1CCN(C2=NC(F)=C(F)C=C2F)CC1	REAL300020138700	1	37	-1.0	-39.89	318.44	3.26	-36.63
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O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC(F)=C2F)CCCC1	REAL300020138701	1	42	-1.0	-38.41	338.23	6.42	-31.99
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O=C(CCC1=NN=N[N-]1)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300020138702	1	46	0.0	-65.43	364.24	5.79	-59.64
O=C(CCC1=NN=N[N-]1)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300020138702	1	46	0.0	-66.16	364.49	5.83	-60.33
O=C(CCC1=N[N-]N=N1)NCC1CSCCN1CC1=CC=CC=C1	REAL300020138702	1	45	-1.0	-39.39	366.50	4.68	-34.71
O=C(CCC1=NN=N[N-]1)NCC1CSCCN1CC1=CC=CC=C1	REAL300020138702	1	45	-1.0	-39.39	366.56	4.69	-34.70
C[C@@H](CNC(=O)CCC1=N[N-]N=N1)OC1=CC=C(Cl)C=C1	REAL300020138703	0	36	-1.0	-40.08	322.12	3.40	-36.68
C[C@@H](CNC(=O)CCC1=NN=N[N-]1)OC1=CC=C(Cl)C=C1	REAL300020138703	1	36	-1.0	-40.09	322.18	3.41	-36.68
CC1=NOC(CC(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2)=N1	REAL300020138704	0	40	-1.0	-43.82	349.66	3.19	-40.63
CC1=NOC(CC(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2)=N1	REAL300020138704	1	40	-1.0	-43.77	349.72	3.21	-40.56
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CCCN1C=CN=C1CCCN(C)C(=O)CCC1=N[N-]N=N1	REAL300020138706	0	44	-1.0	-43.28	356.28	6.15	-37.13
CCCN1C=CN=C1CCCN(C)C(=O)CCC1=NN=N[N-]1	REAL300020138706	1	44	-1.0	-43.28	356.34	6.16	-37.12
CC(C)NS(=O)(=O)NCCNC(=O)CCC1=N[N-]N=N1	REAL300020138707	0	38	-1.0	-45.64	330.74	-4.04	-49.68
CC(C)NS(=O)(=O)NCCNC(=O)CCC1=NN=N[N-]1	REAL300020138707	1	38	-1.0	-45.67	330.80	-4.03	-49.70
CCOC(=O)C1=CSC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020138708	0	44	-1.0	-42.92	377.91	4.96	-37.96
CCOC(=O)C1=CSC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020138708	1	44	-1.0	-42.89	377.97	4.97	-37.92
COCCS(=O)(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138709	0	42	-1.0	-46.10	373.42	0.20	-45.90
COCCS(=O)(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138709	1	42	-1.0	-46.07	373.48	0.21	-45.86
CC1=CC=CC(COC2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2)=C1	REAL300020138710	0	46	-1.0	-40.97	390.26	6.64	-34.33
CC1=CC=CC(COC2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)=C1	REAL300020138710	1	46	-1.0	-40.97	390.32	6.66	-34.31
O=C(CCC1=N[N-]N=N1)N1CC2(CCCC2)C2=CC=CC(F)=C21	REAL300020138711	0	40	-1.0	-44.64	320.47	7.05	-37.59
O=C(CCC1=NN=N[N-]1)N1CC2(CCCC2)C2=CC=CC(F)=C21	REAL300020138711	1	40	-1.0	-44.65	320.52	7.06	-37.59
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300020138712	0	44	-1.0	-40.47	363.67	3.07	-37.40
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300020138712	1	44	-1.0	-40.47	363.73	3.09	-37.38
CCOC(=O)C1=C(N)N(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=N1	REAL300020138713	0	47	-1.0	-46.56	383.67	5.43	-41.13
CCOC(=O)C1=C(N)N(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=N1	REAL300020138713	1	47	-1.0	-46.50	383.73	5.44	-41.06
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(I)=C1	REAL300020138714	0	30	-1.0	-37.91	286.08	3.12	-34.79
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(I)=C1	REAL300020138714	1	30	-1.0	-37.94	286.14	3.13	-34.81
CC(C)CCOC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020138715	0	45	-1.0	-41.00	368.44	5.06	-35.94
CC(C)CCOC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020138715	1	45	-1.0	-41.00	368.50	5.08	-35.92
COC(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(Br)=C1F	REAL300020138716	0	32	-1.0	-41.42	311.71	3.84	-37.58
COC(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(Br)=C1F	REAL300020138716	1	32	-1.0	-41.43	311.77	3.86	-37.57
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCCC3=CC=CC=C32)S1	REAL300020138717	0	40	-2.0	-98.24	351.57	4.80	-93.44
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCCC3=CC=CC=C32)S1	REAL300020138717	1	40	-2.0	-98.20	351.63	4.81	-93.39
O=C(CCC1=N[N-]N=N1)NC1=NN=C(C2CCCC3=CC=CC=C32)S1	REAL300020138717	1	41	-1.0	-46.78	354.84	5.93	-40.85
CS(=O)(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)S1	REAL300020138718	0	32	-1.0	-47.12	310.68	-0.63	-47.75
CS(=O)(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)S1	REAL300020138718	1	32	-1.0	-47.12	310.74	-0.61	-47.73
O=C(CCC1=N[N-]N=N1)N1CCNC(=O)C1C1=CC=C(OC(F)(F)F)C=C1	REAL300020138719	0	41	-1.0	-44.04	352.25	2.12	-41.92
O=C(CCC1=NN=N[N-]1)N1CCNC(=O)C1C1=CC=C(OC(F)(F)F)C=C1	REAL300020138719	1	41	-1.0	-44.14	352.31	2.14	-42.00
COC(=O)C1=CSC(C2=CC=CC(CNC(=O)CCC3=NN=N[N-]3)=C2)=N1	REAL300020138720	0	41	-1.0	-43.45	378.22	4.14	-39.31
COC(=O)C1=CSC(C2=CC=CC(CNC(=O)CCC3=N[N-]N=N3)=C2)=N1	REAL300020138720	1	41	-1.0	-43.42	378.17	4.12	-39.30
COC(=O)CCN(CC1=CC=CC(Br)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020138721	0	41	-1.0	-41.76	367.61	6.94	-34.82
COC(=O)CCN(CC1=CC=CC(Br)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020138721	1	41	-1.0	-41.78	367.67	6.96	-34.82
O=C(CCC1=N[N-]N=N1)NC1CC(=O)N(C2=CC=CC=C2)C1	REAL300020138722	0	37	-1.0	-44.78	312.47	3.15	-41.63
O=C(CCC1=NN=N[N-]1)NC1CC(=O)N(C2=CC=CC=C2)C1	REAL300020138722	1	37	-1.0	-44.80	312.53	3.17	-41.63
CNC(=O)C(CC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020138723	0	39	-1.0	-48.34	334.21	2.21	-46.13
CNC(=O)C(CC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020138723	1	39	-1.0	-48.29	334.27	2.22	-46.07
O=C(CCC1=N[N-]N=N1)N1CCN(S(=O)(=O)C2=NNC=C2)CC1	REAL300020138724	0	38	-1.0	-47.16	329.66	-1.26	-48.42
O=C(CCC1=NN=N[N-]1)N1CCN(S(=O)(=O)C2=NNC=C2)CC1	REAL300020138724	1	38	-1.0	-47.18	329.72	-1.25	-48.43
CN(CC1=CC=C(Br)C(F)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020138725	0	32	-1.0	-39.42	301.78	5.47	-33.95
CN(CC1=CC=C(Br)C(F)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020138725	1	32	-1.0	-39.44	301.84	5.49	-33.95
CN(CC1=CC(Br)=CC=C1Cl)C(=O)CCC1=N[N-]N=N1	REAL300020138726	0	32	-1.0	-38.89	305.71	5.61	-33.28
CN(CC1=CC(Br)=CC=C1Cl)C(=O)CCC1=NN=N[N-]1	REAL300020138726	1	32	-1.0	-38.89	305.77	5.62	-33.27
CCC1=CC=C(C2CN(C(=O)CCC3=N[N-]N=N3)CCO2)C=C1	REAL300020138727	0	43	-1.0	-39.55	349.44	5.68	-33.87
CCC1=CC=C(C2CN(C(=O)CCC3=NN=N[N-]3)CCO2)C=C1	REAL300020138727	1	43	-1.0	-39.55	349.50	5.70	-33.85
CCC1=C(NC(=O)CCC2=N[N-]N=N2)C=NN1C1=CC=C(C(F)(F)F)C=C1	REAL300020138728	0	42	-1.0	-41.99	367.58	5.90	-36.09
CCC1=C(NC(=O)CCC2=NN=N[N-]2)C=NN1C1=CC=C(C(F)(F)F)C=C1	REAL300020138728	1	42	-1.0	-41.99	367.64	5.92	-36.07
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CC3CCC2C3)C=C1	REAL300020138729	0	42	-1.0	-40.10	322.66	3.81	-36.29
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CC3CCC2C3)C=C1	REAL300020138729	1	42	-1.0	-40.07	322.72	3.83	-36.24
CCCC1=C(NC(=O)CCC2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL300020138730	0	42	-1.0	-41.85	357.20	5.73	-36.12
CCCC1=C(NC(=O)CCC2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300020138730	1	42	-1.0	-41.85	357.26	5.75	-36.10
CCCC1=C(NC(=O)CCC2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL300020138731	0	45	-1.0	-43.21	369.18	6.62	-36.59
CCCC1=C(NC(=O)CCC2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL300020138731	1	45	-1.0	-43.19	369.24	6.64	-36.55
CCCC1=C(NC(=O)CCC2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL300020138732	0	45	-1.0	-43.40	372.19	6.34	-37.06
CCCC1=C(NC(=O)CCC2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300020138732	1	45	-1.0	-43.44	372.24	6.36	-37.08
O=C(CCC1=N[N-]N=N1)NCCC(O)C1=CC=C(Cl)C(Cl)=C1	REAL300020138733	0	36	-1.0	-42.42	339.79	2.07	-40.35
O=C(CCC1=NN=N[N-]1)NCCC(O)C1=CC=C(Cl)C(Cl)=C1	REAL300020138733	1	36	-1.0	-42.40	339.85	2.09	-40.31
CC1=CN=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300020138734	0	38	-1.0	-42.72	322.76	4.32	-38.40
CC1=CN=C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300020138734	1	38	-1.0	-42.70	322.82	4.34	-38.36
CS(=O)(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020138735	0	35	-1.0	-44.87	328.10	0.62	-44.25
CS(=O)(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020138735	1	35	-1.0	-44.83	328.16	0.63	-44.20
O=C(CCC1=N[N-]N=N1)NCC(CO)CC1=CC=CC=C1Br	REAL300020138736	0	39	-1.0	-41.16	340.24	2.40	-38.76
O=C(CCC1=NN=N[N-]1)NCC(CO)CC1=CC=CC=C1Br	REAL300020138736	1	39	-1.0	-41.16	340.29	2.41	-38.75
O=C(CCC1=N[N-]N=N1)N1CCN2C(Br)=CN=C2C1	REAL300020138737	0	30	-1.0	-40.20	275.92	3.28	-36.92
O=C(CCC1=NN=N[N-]1)N1CCN2C(Br)=CN=C2C1	REAL300020138737	1	30	-1.0	-40.23	275.97	3.30	-36.93
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=N[N-]N=N2)(C(N)=O)C1	REAL300020138738	0	44	-1.0	-52.08	366.41	-1.86	-53.94
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=NN=N[N-]2)(C(N)=O)C1	REAL300020138738	1	44	-1.0	-52.11	366.47	-1.85	-53.96
CCCN1C2=CC=CC=C2N(CC)C1=NC(=O)CCC1=N[N-]N=N1	REAL300020138739	0	44	-1.0	-45.66	355.52	8.28	-37.38
CCCN1C2=CC=CC=C2N(CC)C1=NC(=O)CCC1=NN=N[N-]1	REAL300020138739	1	44	-1.0	-45.64	355.57	8.29	-37.35
CC(C)N1N=CC2=C1CC(NC(=O)CCC1=N[N-]N=N1)CC2	REAL300020138740	0	42	-1.0	-42.38	342.24	3.70	-38.68
CC(C)N1N=CC2=C1CC(NC(=O)CCC1=NN=N[N-]1)CC2	REAL300020138740	1	42	-1.0	-42.41	342.30	3.72	-38.69
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)CCC2=N[N-]N=N2)=C1	REAL300020138741	0	48	0.0	-67.04	382.15	6.32	-60.72
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)CCC2=NN=N[N-]2)=C1	REAL300020138741	1	48	0.0	-67.05	382.21	6.33	-60.72
CC(CN(C)C(=O)CCC1=N[N-]N=N1)OC1=CC=C(Cl)C(Cl)=C1	REAL300020138742	0	39	-1.0	-39.23	353.19	6.04	-33.19
CC(CN(C)C(=O)CCC1=NN=N[N-]1)OC1=CC=C(Cl)C(Cl)=C1	REAL300020138742	1	39	-1.0	-39.23	353.25	6.06	-33.17
CN(CCOC1=CC=C(C(F)(F)F)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020138743	0	39	-1.0	-40.10	342.07	5.49	-34.61
CN(CCOC1=CC=C(C(F)(F)F)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020138743	1	39	-1.0	-40.09	342.12	5.51	-34.58
CCC(CN(C)C(=O)CCC1=N[N-]N=N1)OC1=CC=C(Cl)C(Cl)=C1	REAL300020138744	0	42	-1.0	-42.23	367.54	7.05	-35.18
CCC(CN(C)C(=O)CCC1=NN=N[N-]1)OC1=CC=C(Cl)C(Cl)=C1	REAL300020138744	1	42	-1.0	-42.25	367.60	7.06	-35.19
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COCCOCCOCCN(C)C(=O)CCC1=NN=N[N-]1	REAL300020138781	1	43	-1.0	-41.66	358.16	1.55	-40.11
COC(=O)C1=CC=C(C(C)C)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138782	0	41	-1.0	-46.76	343.48	5.37	-41.39
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CC(C)(CC1=CC=C(C(F)(F)F)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020138789	0	41	-1.0	-40.51	342.72	5.39	-35.12
CC(C)(CC1=CC=C(C(F)(F)F)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020138789	1	41	-1.0	-40.46	342.78	5.41	-35.05
CC1=NN(C)C(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1C#N	REAL300020138790	0	42	-1.0	-45.34	349.71	3.01	-42.33
CC1=NN(C)C(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1C#N	REAL300020138790	1	42	-1.0	-45.37	349.77	3.02	-42.35
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CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(N2C=C(Cl)C=N2)=N1	REAL300020138791	1	38	-1.0	-43.48	345.44	5.19	-38.29
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CC1COC(C2=CC=CC(Cl)=C2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020138792	1	40	-1.0	-39.89	342.23	5.57	-34.32
CCOC(=O)C(C)(CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020138793	0	44	-1.0	-42.43	360.14	6.25	-36.18
CCOC(=O)C(C)(CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020138793	1	44	-1.0	-42.43	360.20	6.27	-36.16
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC2=CC=CC=C2S1	REAL300020138794	0	35	-1.0	-39.96	313.74	5.03	-34.93
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC2=CC=CC=C2S1	REAL300020138794	1	35	-1.0	-39.98	313.80	5.05	-34.93
C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020138795	0	35	-1.0	-39.18	313.85	4.53	-34.65
C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020138795	1	35	-1.0	-39.18	313.91	4.55	-34.63
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020138796	0	46	-1.0	-47.90	362.66	3.04	-44.86
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020138796	1	46	-1.0	-47.88	362.72	3.05	-44.83
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CC(C)(C)OC(=O)N1CC2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2C1	REAL300020138797	1	50	-1.0	-43.01	408.83	5.04	-37.97
COC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(OC)=C1	REAL300020138798	0	36	-1.0	-40.50	314.95	2.64	-37.86
COC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(OC)=C1	REAL300020138798	1	36	-1.0	-40.56	315.00	2.65	-37.91
CC(=O)N1CCN(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)CC1	REAL300020138799	0	45	-1.0	-48.86	360.18	2.70	-46.16
CC(=O)N1CCN(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)CC1	REAL300020138799	1	45	-1.0	-48.82	360.23	2.72	-46.10
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CC(C)(C)OC(=O)NC1(C)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020138801	0	49	-1.0	-41.12	370.58	3.49	-37.63
CC(C)(C)OC(=O)NC1(C)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020138801	1	49	-1.0	-41.17	370.63	3.51	-37.66
COC1(C(F)(F)F)CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020138802	0	36	-1.0	-41.26	294.38	2.58	-38.68
COC1(C(F)(F)F)CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020138802	1	36	-1.0	-41.30	294.44	2.59	-38.71
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CC[NH+](CC)CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138805	0	44	0.0	-62.59	344.93	5.82	-56.77
CC[NH+](CC)CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138805	1	44	0.0	-62.61	344.99	5.84	-56.77
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NC1=NC(=O)NC=C1N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020138813	0	39	-1.0	-49.98	322.90	-0.98	-50.96
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CN1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2Br)CC1	REAL300020138815	0	43	-1.0	-38.23	365.27	2.44	-35.79
CN1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2Br)CC1	REAL300020138815	1	43	-1.0	-38.26	365.33	2.46	-35.80
CCN1C=C([C@H]2OCCC[C@@H]2NC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020138816	0	43	-1.0	-45.21	355.52	2.52	-42.69
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CCC1(C)OC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2O1	REAL300020138817	0	38	-1.0	-40.41	313.48	3.35	-37.06
CCC1(C)OC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2O1	REAL300020138817	1	38	-1.0	-40.37	313.53	3.36	-37.01
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CCC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C(OCC)=C2)CC1	REAL300020138819	0	57	0.0	-67.27	432.20	5.38	-61.89
CCC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C(OCC)=C2)CC1	REAL300020138819	1	57	0.0	-67.29	432.26	5.39	-61.90
COCC1=NOC(CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020138820	0	43	-1.0	-43.90	355.18	-1.02	-44.92
COCC1=NOC(CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020138820	1	43	-1.0	-43.90	355.23	-1.00	-44.90
CCOC1=CC(N2CCOC(C)(C)C2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020138821	0	52	-1.0	-39.74	407.25	3.49	-36.25
CCOC1=CC(N2CCOC(C)(C)C2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138821	1	52	-1.0	-39.75	407.31	3.51	-36.24
COC(=O)C(C)(CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020138822	0	41	-1.0	-40.87	343.63	4.58	-36.29
COC(=O)C(C)(CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020138822	1	41	-1.0	-40.88	343.69	4.59	-36.29
CC1=CC=C(N2C=C(NC(=O)CCC3=NN=N[N-]3)C=N2)C(C)=C1	REAL300020138823	0	39	-1.0	-43.22	332.40	5.37	-37.85
CC1=CC=C(N2C=C(NC(=O)CCC3=N[N-]N=N3)C=N2)C(C)=C1	REAL300020138823	1	39	-1.0	-43.20	332.34	5.35	-37.85
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COC(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=C(C)C=C1C	REAL300020138825	0	38	-1.0	-42.90	319.82	4.61	-38.29
COC(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=C(C)C=C1C	REAL300020138825	1	38	-1.0	-42.86	319.88	4.63	-38.23
CC(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020138826	0	38	-1.0	-40.18	333.43	5.06	-35.12
CC(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020138826	1	38	-1.0	-40.22	333.48	5.07	-35.15
CC1=CC=CC=C1C(C(C)NC(=O)CCC1=N[N-]N=N1)[NH+](C)C	REAL300020138827	0	47	0.0	-57.12	350.65	5.93	-51.19
CC1=CC=CC=C1C(C(C)NC(=O)CCC1=NN=N[N-]1)[NH+](C)C	REAL300020138827	1	47	0.0	-57.14	350.71	5.94	-51.20
N#CCC1(CN2C(=O)CCC3=CC(NC(=O)CCC4=N[N-]N=N4)=CC=C32)CC1	REAL300020138828	0	48	-1.0	-48.57	388.97	6.80	-41.77
N#CCC1(CN2C(=O)CCC3=CC(NC(=O)CCC4=NN=N[N-]4)=CC=C32)CC1	REAL300020138828	1	48	-1.0	-48.61	389.03	6.82	-41.79
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=C(F)C=C1F	REAL300020138829	0	26	-1.0	-36.86	264.41	3.35	-33.51
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COCC(C)OC1=CC=C(Cl)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020138830	0	40	-1.0	-42.77	349.37	3.46	-39.31
COCC(C)OC1=CC=C(Cl)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138830	1	40	-1.0	-42.78	349.43	3.48	-39.30
CCOC(=O)C1=C(NC(=O)CCC2=N[N-]N=N2)SC2=C1CCCC2	REAL300020138831	0	42	-1.0	-40.30	362.20	5.93	-34.37
CCOC(=O)C1=C(NC(=O)CCC2=NN=N[N-]2)SC2=C1CCCC2	REAL300020138831	1	42	-1.0	-40.36	362.26	5.94	-34.42
CC(=O)N1CCN(CC2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)CC1	REAL300020138832	0	48	-1.0	-45.29	384.52	2.98	-42.31
CC(=O)N1CCN(CC2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)CC1	REAL300020138832	1	48	-1.0	-45.30	384.58	3.00	-42.30
CC(C)(C)OC(=O)N1CCCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020138833	0	49	-1.0	-43.13	377.86	4.19	-38.94
CC(C)(C)OC(=O)N1CCCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020138833	1	49	-1.0	-43.15	377.92	4.20	-38.95
CC(=O)N1CCN(CC2=CC=CC=C2NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020138834	0	48	-1.0	-41.97	372.61	3.38	-38.59
CC(=O)N1CCN(CC2=CC=CC=C2NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020138834	1	48	-1.0	-41.98	372.67	3.41	-38.57
CC(C)(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020138835	0	41	-1.0	-39.97	346.01	5.52	-34.45
CC(C)(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020138835	1	41	-1.0	-39.97	346.07	5.54	-34.43
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC=CC=C2CO)CC1	REAL300020138836	0	43	-1.0	-41.90	340.12	3.70	-38.20
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC=CC=C2CO)CC1	REAL300020138836	1	43	-1.0	-41.87	340.18	3.71	-38.16
CC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1Br	REAL300020138837	0	32	-1.0	-40.07	294.25	3.77	-36.30
CC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1Br	REAL300020138837	1	32	-1.0	-40.06	294.31	3.78	-36.28
CC(C)OC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(Cl)=C1	REAL300020138838	0	36	-1.0	-37.98	314.11	4.02	-33.96
CC(C)OC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(Cl)=C1	REAL300020138838	1	36	-1.0	-38.01	314.17	4.04	-33.97
O=C(CCC1=N[N-]N=N1)NCCC1=CC=CC=C1OC(F)F	REAL300020138839	0	36	-1.0	-43.23	317.15	3.10	-40.13
O=C(CCC1=NN=N[N-]1)NCCC1=CC=CC=C1OC(F)F	REAL300020138839	1	36	-1.0	-43.21	317.21	3.12	-40.09
O=C(CCC1=N[N-]N=N1)NC1CCN(C2=CC=CC=C2C(F)(F)F)C1=O	REAL300020138840	0	40	-1.0	-52.72	351.53	4.55	-48.17
O=C(CCC1=NN=N[N-]1)NC1CCN(C2=CC=CC=C2C(F)(F)F)C1=O	REAL300020138840	1	40	-1.0	-52.68	351.58	4.57	-48.11
COC1=CC=C(CC(C)(C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138841	0	42	-1.0	-41.14	333.57	3.69	-37.45
COC1=CC=C(CC(C)(C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020138841	1	42	-1.0	-41.13	333.63	3.71	-37.42
CC(NC(=O)CCC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCCC1	REAL300020138842	0	45	-1.0	-40.11	340.23	6.63	-33.48
CC(NC(=O)CCC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCCC1	REAL300020138842	1	45	-1.0	-40.10	340.29	6.65	-33.45
COC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CCC1=N[N-]N=N1	REAL300020138843	0	42	-1.0	-47.18	360.32	4.75	-42.43
COC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CCC1=NN=N[N-]1	REAL300020138843	1	42	-1.0	-47.22	360.37	4.78	-42.44
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC(F)F)C2=CC=CN=C12	REAL300020138844	0	35	-1.0	-46.02	310.39	2.76	-43.26
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC(F)F)C2=CC=CN=C12	REAL300020138844	1	35	-1.0	-46.00	310.33	2.75	-43.25
O=C(CCC1=N[N-]N=N1)NC(CC1=CC=CC(Br)=C1)CC1CC1	REAL300020138845	0	42	-1.0	-42.12	364.58	7.27	-34.85
O=C(CCC1=NN=N[N-]1)NC(CC1=CC=CC(Br)=C1)CC1CC1	REAL300020138845	1	42	-1.0	-42.14	364.64	7.29	-34.85
O=C(CCC1=N[N-]N=N1)N1CCOC(C2=CC=C(F)C(Br)=C2)C1	REAL300020138846	0	37	-1.0	-39.63	333.58	4.90	-34.73
O=C(CCC1=NN=N[N-]1)N1CCOC(C2=CC=C(F)C(Br)=C2)C1	REAL300020138846	1	37	-1.0	-39.66	333.64	4.91	-34.75
COC(=O)C(C)(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020138847	0	38	-1.0	-42.24	352.04	5.10	-37.14
COC(=O)C(C)(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300020138847	1	38	-1.0	-42.24	352.10	5.13	-37.11
CCC(C)(O)CN(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020138848	0	45	-1.0	-43.19	353.05	4.65	-38.54
CCC(C)(O)CN(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020138848	1	45	-1.0	-43.21	353.10	4.67	-38.54
CC(C)(C)OC(=O)NCC1CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL300020138849	0	47	-1.0	-41.89	374.19	0.97	-40.92
CC(C)(C)OC(=O)NCC1CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL300020138849	1	47	-1.0	-41.89	374.24	0.98	-40.91
O=C(CCC1=N[N-]N=N1)NCC1=CC(Br)=CC=C1Br	REAL300020138850	0	29	-1.0	-38.61	297.34	3.81	-34.80
O=C(CCC1=NN=N[N-]1)NCC1=CC(Br)=CC=C1Br	REAL300020138850	1	29	-1.0	-38.57	297.39	3.82	-34.75
CC1=CC=C(SCC(C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020138851	0	39	-1.0	-42.02	339.27	5.57	-36.45
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COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OC)C(O)=C1	REAL300020138906	1	40	-1.0	-45.30	349.51	0.89	-44.41
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CCCOCC(CC1=CC=CC(Br)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020138908	0	45	-1.0	-41.28	394.42	6.01	-35.27
CCCOCC(CC1=CC=CC(Br)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020138908	1	45	-1.0	-41.27	394.47	6.03	-35.24
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CC(C)(C)OC(=O)C1=CC=CC=C1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020138912	1	54	-1.0	-41.28	414.56	8.75	-32.53
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COC1=CC(N2CCS(=O)(=O)CC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138916	1	45	-1.0	-48.52	372.65	-0.53	-49.05
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COC1=CC=C2CCN(C(=O)CCC3=N[N-]N=N3)CCC2=C1	REAL300020138922	0	40	-1.0	-39.96	318.04	4.90	-35.06
COC1=CC=C2CCN(C(=O)CCC3=NN=N[N-]3)CCC2=C1	REAL300020138922	1	40	-1.0	-39.97	318.09	4.92	-35.05
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CCOC(=O)N1CCCC(C(C)NC(=O)CCC2=N[N-]N=N2)C1	REAL300020138925	0	46	-1.0	-45.18	367.08	3.41	-41.77
CCOC(=O)N1CCCC(C(C)NC(=O)CCC2=NN=N[N-]2)C1	REAL300020138925	1	46	-1.0	-45.21	367.13	3.43	-41.78
COC(CCCC(C)(C)CNC(=O)CCC1=N[N-]N=N1)OC	REAL300020138926	0	48	-1.0	-41.27	371.70	2.92	-38.35
COC(CCCC(C)(C)CNC(=O)CCC1=NN=N[N-]1)OC	REAL300020138926	1	48	-1.0	-41.27	371.76	2.93	-38.34
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CCC(CN(CC)C(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020138928	0	44	-1.0	-40.40	346.97	7.42	-32.98
CCC(CN(CC)C(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020138928	1	44	-1.0	-40.38	347.02	7.44	-32.94
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O=C(CCC1=N[N-]N=N1)NCC1=CC=C(N2CCCS2(=O)=O)C(F)=C1	REAL300020138931	0	41	-1.0	-52.26	367.00	1.46	-50.80
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(N2CCCS2(=O)=O)C(F)=C1	REAL300020138931	1	41	-1.0	-52.29	367.06	1.47	-50.82
CCOC(=O)C(CC1=CC=CC=C1Cl)NC(=O)CCC1=N[N-]N=N1	REAL300020138932	0	41	-1.0	-43.85	368.65	5.96	-37.89
CCOC(=O)C(CC1=CC=CC=C1Cl)NC(=O)CCC1=NN=N[N-]1	REAL300020138932	1	41	-1.0	-43.82	368.71	5.98	-37.84
O=C(CCC1=N[N-]N=N1)NC(CC1CC1)C1=CC(F)=CC(Br)=C1	REAL300020138933	0	39	-1.0	-39.22	357.11	6.93	-32.29
O=C(CCC1=NN=N[N-]1)NC(CC1CC1)C1=CC(F)=CC(Br)=C1	REAL300020138933	1	39	-1.0	-39.22	357.16	6.95	-32.27
O=C(CCC1=N[N-]N=N1)N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020138934	0	37	-1.0	-40.57	317.83	4.41	-36.16
O=C(CCC1=NN=N[N-]1)N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020138934	1	37	-1.0	-40.55	317.89	4.42	-36.13
COC1=CC(OC)=C(NC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020138935	0	34	-1.0	-42.45	309.38	1.97	-40.48
COC1=CC(OC)=C(NC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300020138935	1	34	-1.0	-42.43	309.44	1.99	-40.44
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C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC(Cl)=CC=C1Cl	REAL300020138937	0	32	-1.0	-39.06	304.52	4.49	-34.57
C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC(Cl)=CC=C1Cl	REAL300020138937	1	32	-1.0	-39.05	304.58	4.50	-34.55
CCOC1=CC=C2OCCC(NC(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020138938	0	41	-1.0	-44.82	333.61	2.72	-42.10
CCOC1=CC=C2OCCC(NC(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020138938	1	41	-1.0	-44.86	333.66	2.73	-42.13
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CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)CCC1=NN=N[N-]1	REAL300020138939	1	42	-1.0	-41.51	357.64	0.51	-41.00
CN(C(=O)CCC1=N[N-]N=N1)C(C)(C)C[NH+]1CCCCCC1	REAL300020138940	0	50	0.0	-62.51	340.50	5.80	-56.71
CN(C(=O)CCC1=NN=N[N-]1)C(C)(C)C[NH+]1CCCCCC1	REAL300020138940	1	50	0.0	-62.52	340.56	5.81	-56.71
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CC1=CC(Br)=C2CCN(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020138942	0	36	-1.0	-39.01	313.40	6.15	-32.86
CC1=CC(Br)=C2CCN(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020138942	1	36	-1.0	-39.01	313.45	6.16	-32.85
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O=C(CCC1=NN=N[N-]1)NCC1=CC=C(F)C=C1Br	REAL300020138943	1	29	-1.0	-39.08	282.51	3.28	-35.80
CC(C)(C)OC(=O)NC1=CC=CC2=C1N(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020138944	0	47	-1.0	-45.81	374.31	6.73	-39.08
CC(C)(C)OC(=O)NC1=CC=CC2=C1N(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020138944	1	47	-1.0	-45.81	374.37	6.74	-39.07
CC(NC(=O)CCC1=N[N-]N=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300020138945	0	44	0.0	-60.95	336.80	5.25	-55.70
CC(NC(=O)CCC1=NN=N[N-]1)C(C1=CC=CC=C1)[NH+](C)C	REAL300020138945	1	44	0.0	-60.95	336.85	5.27	-55.68
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CN1C2=CC=CC=C2N=C1C(C)(C)NC(=O)CCC1=NN=N[N-]1	REAL300020138948	0	41	-1.0	-41.80	331.69	4.53	-37.27
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CN1C2=CC=C(Cl)C=C2N=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020138949	0	35	-1.0	-42.61	320.79	3.53	-39.08
CN1C2=CC=C(Cl)C=C2N=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020138949	1	35	-1.0	-42.59	320.85	3.54	-39.05
CC1=CC=C(C2=CN=C(NC(=O)CCC3=NN=N[N-]3)S2)C(C)=C1	REAL300020138950	0	38	-1.0	-43.43	337.67	6.18	-37.25
CC1=CC=C(C2=CN=C(NC(=O)CCC3=N[N-]N=N3)S2)C(C)=C1	REAL300020138950	1	38	-1.0	-43.39	337.62	6.17	-37.22
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CCOC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCC1=N[N-]N=N1	REAL300020138952	0	47	-1.0	-45.45	396.88	7.67	-37.78
CCOC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCC1=NN=N[N-]1	REAL300020138952	1	47	-1.0	-45.47	396.93	7.69	-37.78
CC1=CC(Br)=C(F)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020138953	0	29	-1.0	-40.02	276.27	4.09	-35.93
CC1=CC(Br)=C(F)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138953	1	29	-1.0	-40.06	276.33	4.11	-35.95
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O=C(CCC1=NN=N[N-]1)NCC1(CCOCC2=CC=CC=C2)CC1	REAL300020138956	1	46	-1.0	-41.13	384.89	5.52	-35.61
COC1=CC=CC=C1C(CNC(=O)CCC1=N[N-]N=N1)OC(C)C	REAL300020138957	0	46	-1.0	-41.23	375.18	3.52	-37.71
COC1=CC=CC=C1C(CNC(=O)CCC1=NN=N[N-]1)OC(C)C	REAL300020138957	1	46	-1.0	-41.21	375.23	3.54	-37.67
CC1(C)C(NC(=O)CCC2=N[N-]N=N2)CC1OCC1=CC=CC=C1	REAL300020138958	0	46	-1.0	-42.65	374.54	5.49	-37.16
CC1(C)C(NC(=O)CCC2=NN=N[N-]2)CC1OCC1=CC=CC=C1	REAL300020138958	1	46	-1.0	-42.64	374.60	5.50	-37.14
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O=C(CCC1=NN=N[N-]1)N1CC2=CC=CC(Br)=C2C1	REAL300020138959	1	30	-1.0	-39.93	281.27	4.84	-35.09
CC[NH+]1CCN(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)CC1	REAL300020138960	0	47	0.0	-67.30	361.62	4.33	-62.97
CC[NH+]1CCN(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)CC1	REAL300020138960	1	47	0.0	-67.30	361.67	4.35	-62.95
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COC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(OC)=N1	REAL300020139012	1	35	-1.0	-39.90	313.55	0.06	-39.84
CC(=O)NC1=C(C2=CC=CC=C2)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020139013	0	39	-1.0	-47.31	348.31	3.74	-43.57
CC(=O)NC1=C(C2=CC=CC=C2)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020139013	1	39	-1.0	-47.30	348.25	3.72	-43.58
CN(C)C1=CC=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020139014	0	47	-1.0	-41.13	364.24	6.69	-34.44
CN(C)C1=CC=C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020139014	1	47	-1.0	-41.13	364.30	6.71	-34.42
O=C(CCC1=N[N-]N=N1)N1CCS(=O)(=O)C2=CC=CC=C2C1	REAL300020139015	0	36	-1.0	-51.75	304.47	1.82	-49.93
O=C(CCC1=NN=N[N-]1)N1CCS(=O)(=O)C2=CC=CC=C2C1	REAL300020139015	1	36	-1.0	-51.73	304.53	1.84	-49.89
O=C(CCC1=N[N-]N=N1)N1CCN(C2CC2)C2=C(Cl)C=CC=C21	REAL300020139016	0	39	-1.0	-38.63	313.42	5.01	-33.62
O=C(CCC1=NN=N[N-]1)N1CCN(C2CC2)C2=C(Cl)C=CC=C21	REAL300020139016	1	39	-1.0	-38.64	313.48	5.03	-33.61
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020139017	0	36	-1.0	-45.69	308.29	2.60	-43.09
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020139017	1	36	-1.0	-45.68	308.23	2.58	-43.10
CC(=O)C1=C(C2=CC=CC=C2)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020139018	0	37	-1.0	-40.04	332.61	4.85	-35.19
CC(=O)C1=C(C2=CC=CC=C2)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020139018	1	37	-1.0	-40.07	332.55	4.83	-35.24
O=C(CCC1=N[N-]N=N1)N1CCC(=CC2=CC=C(F)C(F)=C2)CC1	REAL300020139019	0	40	-1.0	-40.95	334.13	6.99	-33.96
O=C(CCC1=NN=N[N-]1)N1CCC(=CC2=CC=C(F)C(F)=C2)CC1	REAL300020139019	1	40	-1.0	-40.95	334.19	7.00	-33.95
N#CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1OC1=CC=CC=C1	REAL300020139020	0	38	-1.0	-45.27	341.34	5.85	-39.42
N#CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1OC1=CC=CC=C1	REAL300020139020	1	38	-1.0	-45.26	341.40	5.86	-39.40
O=C(CCC1=N[N-]N=N1)NNC1=CC=CC=C1OC(F)(F)F	REAL300020139021	0	32	-1.0	-39.76	293.30	2.09	-37.67
O=C(CCC1=NN=N[N-]1)NNC1=CC=CC=C1OC(F)(F)F	REAL300020139021	1	32	-1.0	-39.77	293.35	2.11	-37.66
CCOC1CC(NC(=O)CCC2=N[N-]N=N2)C12CCOCC2	REAL300020139022	0	44	-1.0	-42.50	340.49	2.46	-40.04
CCOC1CC(NC(=O)CCC2=NN=N[N-]2)C12CCOCC2	REAL300020139022	1	44	-1.0	-42.47	340.55	2.48	-39.99
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C2=CC=CC=C21	REAL300020139023	0	38	-1.0	-41.67	332.71	6.45	-35.22
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C2=CC=CC=C21	REAL300020139023	1	38	-1.0	-41.67	332.76	6.47	-35.20
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1NCC1=CC=C(Cl)C=C1	REAL300020139024	0	41	-1.0	-41.12	361.14	6.01	-35.11
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1NCC1=CC=C(Cl)C=C1	REAL300020139024	1	41	-1.0	-41.09	361.20	6.02	-35.07
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC([N+](=O)[O-])=C1	REAL300020139025	0	44	-1.0	-55.35	367.77	5.85	-49.50
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC([N+](=O)[O-])=C1	REAL300020139025	1	44	-1.0	-55.34	367.83	5.87	-49.47
C=CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139026	0	45	-1.0	-47.51	363.85	5.16	-42.35
C=CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139026	1	45	-1.0	-47.52	363.91	5.18	-42.34
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139027	0	43	-1.0	-47.79	347.40	7.19	-40.60
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139027	1	43	-1.0	-47.75	347.46	7.21	-40.54
O=C(CCC1=CC=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139028	0	39	-1.0	-45.24	346.52	7.16	-38.08
O=C(CCC1=CC=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139028	1	39	-1.0	-45.19	346.57	7.19	-38.00
CC1=CC=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020139029	0	40	-1.0	-45.01	322.22	5.54	-39.47
CC1=CC=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020139029	1	40	-1.0	-44.97	322.28	5.57	-39.40
O=C(C1CCCN(C2=NC=CC=N2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139030	0	46	-1.0	-49.23	360.56	4.61	-44.62
O=C(C1CCCN(C2=NC=CC=N2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139030	1	46	-1.0	-49.19	360.50	4.59	-44.60
CS(=O)(=O)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139031	0	37	-1.0	-53.30	313.23	-1.40	-54.70
CS(=O)(=O)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139031	1	37	-1.0	-53.32	313.29	-1.38	-54.70
CC1=NNC(C)=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139032	0	42	-1.0	-47.49	336.46	3.76	-43.73
CC1=NNC(C)=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139032	1	42	-1.0	-47.52	336.52	3.79	-43.73
O=C(CC1=CN(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139033	0	43	-1.0	-53.44	353.56	6.66	-46.78
O=C(CC1=CN(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139033	1	43	-1.0	-53.42	353.50	6.64	-46.78
O=C(C1=CC=CC(CN2C(=O)CNC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139034	0	45	-1.0	-55.98	372.74	3.03	-52.95
O=C(C1=CC=CC(CN2C(=O)CNC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139034	1	45	-1.0	-55.99	372.80	3.06	-52.93
O=C(C1=CC2=CC=C(Br)C=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139035	0	37	-1.0	-43.22	322.13	5.50	-37.72
O=C(C1=CC2=CC=C(Br)C=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139035	1	37	-1.0	-43.19	322.19	5.53	-37.66
O=C(C1=CC2=CC(F)=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139036	0	37	-1.0	-44.98	307.26	4.96	-40.02
O=C(C1=CC2=CC(F)=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139036	1	37	-1.0	-44.98	307.32	4.99	-39.99
CC1=CC=C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020139037	0	46	-1.0	-46.52	362.97	6.29	-40.23
CC1=CC=C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020139037	1	46	-1.0	-46.50	363.03	6.32	-40.18
CC1=CC(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL300020139038	0	46	-1.0	-46.35	367.38	6.41	-39.94
CC1=CC(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020139038	1	46	-1.0	-46.46	367.44	6.44	-40.02
O=C(C1=CC2=CC(Br)=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139039	0	37	-1.0	-44.26	322.11	5.52	-38.74
O=C(C1=CC2=CC(Br)=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139039	1	37	-1.0	-44.28	322.17	5.54	-38.74
CC(=O)NC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL300020139040	0	43	-1.0	-51.55	364.26	4.11	-47.44
CC(=O)NC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300020139040	1	43	-1.0	-51.61	364.31	4.13	-47.48
O=C(C1=CC=C(C(F)(F)F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139041	0	35	-1.0	-44.95	305.26	3.78	-41.17
O=C(C1=CC=C(C(F)(F)F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139041	1	35	-1.0	-44.96	305.20	3.75	-41.21
O=C(CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1)N1CCOCC1	REAL300020139042	0	54	-1.0	-61.20	389.49	5.10	-56.10
O=C(CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1)N1CCOCC1	REAL300020139042	1	54	-1.0	-61.22	389.55	5.12	-56.10
CC1=CC(C)=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=NN21	REAL300020139043	0	41	-1.0	-56.69	336.75	4.57	-52.12
CC1=CC(C)=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=NN21	REAL300020139043	1	41	-1.0	-56.69	336.80	4.59	-52.10
O=C(C1=CC=CC(OCC2CCCO2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139044	0	48	-1.0	-52.95	377.12	5.07	-47.88
O=C(C1=CC=CC(OCC2CCCO2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139044	1	48	-1.0	-52.97	377.18	5.09	-47.88
CC1=CC=C(OC2=CC=C(OCC(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020139045	0	51	-1.0	-51.03	413.71	8.87	-42.16
CC1=CC=C(OC2=CC=C(OCC(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020139045	1	51	-1.0	-51.06	413.77	8.89	-42.17
O=C(C1=CC=C(C(F)(F)F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139046	0	35	-1.0	-38.92	303.99	4.49	-34.43
O=C(C1=CC=C(C(F)(F)F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139046	1	35	-1.0	-38.94	303.93	4.46	-34.48
CC1=CC=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=C1F	REAL300020139047	0	47	-1.0	-49.93	372.40	6.25	-43.68
CC1=CC=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=C1F	REAL300020139047	1	47	-1.0	-49.94	372.45	6.27	-43.67
O=C(C1=CC=CC(S(=O)(=O)NC2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139048	0	45	-1.0	-52.92	379.56	2.29	-50.63
O=C(C1=CC=CC(S(=O)(=O)NC2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139048	1	45	-1.0	-52.90	379.61	2.32	-50.58
O=C(CCNC(=O)C1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139049	0	40	-1.0	-55.62	343.29	2.89	-52.73
O=C(CCNC(=O)C1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139049	1	40	-1.0	-55.65	343.35	2.92	-52.73
O=C(CCCNC(=O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139050	0	46	-1.0	-50.57	372.64	4.68	-45.89
O=C(CCCNC(=O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139050	1	46	-1.0	-50.59	372.70	4.71	-45.88
COC1=CC=C(C(C)=O)C=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139051	0	45	-1.0	-53.90	364.02	5.21	-48.69
COC1=CC=C(C(C)=O)C=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139051	1	45	-1.0	-53.91	364.07	5.23	-48.68
O=C(COCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139052	0	40	-1.0	-51.30	329.18	5.86	-45.44
O=C(COCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139052	1	40	-1.0	-51.28	329.23	5.89	-45.39
CCC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139053	0	45	-1.0	-45.43	358.98	7.70	-37.73
CCC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139053	1	45	-1.0	-45.39	359.04	7.73	-37.66
COC1=CC=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020139054	0	47	-1.0	-48.08	375.15	5.52	-42.56
COC1=CC=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020139054	1	47	-1.0	-48.13	375.21	5.54	-42.59
COC1=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020139055	0	43	-1.0	-47.37	345.60	5.97	-41.40
COC1=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020139055	1	43	-1.0	-47.39	345.66	5.99	-41.40
O=C(C1=CC(Br)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139056	0	33	-1.0	-46.41	298.00	5.12	-41.29
O=C(C1=CC(Br)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139056	1	33	-1.0	-46.40	298.06	5.15	-41.25
CC(NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139057	0	45	-1.0	-51.86	377.25	1.71	-50.15
CC(NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139057	1	45	-1.0	-51.85	377.31	1.73	-50.12
N#CC1=CC=C(S(=O)(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139058	0	42	-1.0	-54.10	369.57	1.49	-52.61
N#CC1=CC=C(S(=O)(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139058	1	42	-1.0	-54.09	369.63	1.51	-52.58
CC1=NOC(C)=C1CSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139059	0	42	-1.0	-52.72	356.40	5.64	-47.08
CC1=NOC(C)=C1CSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139059	1	42	-1.0	-52.73	356.46	5.67	-47.06
CSCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020139060	0	43	-1.0	-43.27	360.73	6.95	-36.32
CSCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020139060	1	43	-1.0	-43.28	360.79	6.98	-36.30
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OC	REAL300020139061	0	41	-1.0	-43.06	349.21	4.30	-38.76
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OC	REAL300020139061	1	41	-1.0	-43.08	349.26	4.32	-38.76
O=C(CSCC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139062	0	40	-1.0	-49.96	345.50	6.92	-43.04
O=C(CSCC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139062	1	40	-1.0	-49.98	345.56	6.95	-43.03
CC1=CC=CC(CSCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139063	0	43	-1.0	-49.52	360.53	7.53	-41.99
CC1=CC=CC(CSCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139063	1	43	-1.0	-49.50	360.59	7.56	-41.94
CON=CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139064	0	40	-1.0	-46.11	333.98	4.55	-41.56
CON=CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139064	1	40	-1.0	-46.09	334.03	4.57	-41.52
CCCCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139065	0	54	-1.0	-49.58	426.94	7.65	-41.93
CCCCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139065	1	54	-1.0	-49.58	427.00	7.68	-41.90
CCCOC1=C(Cl)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020139066	0	50	-1.0	-42.97	414.42	6.97	-36.00
CCCOC1=C(Cl)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020139066	1	50	-1.0	-42.97	414.48	7.00	-35.97
CC(C1=CC=CC=C1)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020139067	0	50	-1.0	-47.72	387.08	6.69	-41.03
CC(C1=CC=CC=C1)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020139067	1	50	-1.0	-47.73	387.14	6.72	-41.01
O=C(CC1=CC=C2CCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139068	0	46	-1.0	-48.06	357.37	7.93	-40.13
O=C(CC1=CC=C2CCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139068	1	46	-1.0	-48.03	357.43	7.95	-40.08
CCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OCCC	REAL300020139069	0	53	-1.0	-46.99	415.27	7.09	-39.90
CCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OCCC	REAL300020139069	1	53	-1.0	-46.95	415.33	7.12	-39.83
O=C(CCC1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139070	0	39	-1.0	-46.95	321.63	6.28	-40.67
O=C(CCC1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139070	1	39	-1.0	-46.96	321.69	6.30	-40.66
O=C(C=CC1=CC=C(C2=CC=CC=C2F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139071	0	44	-1.0	-47.54	374.03	8.00	-39.54
O=C(C=CC1=CC=C(C2=CC=CC=C2F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139071	1	44	-1.0	-47.55	374.09	8.03	-39.52
COCCNS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139072	0	48	-1.0	-52.38	400.93	0.55	-51.83
COCCNS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139072	1	48	-1.0	-52.37	400.99	0.57	-51.80
CC1=CC=C(N2C=CN=C2SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020139073	0	50	-1.0	-47.89	413.46	9.09	-38.80
CC1=CC=C(N2C=CN=C2SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020139073	1	50	-1.0	-47.91	413.40	9.06	-38.85
COC1=CC=CC(N2C=CN=C2SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139074	0	48	-1.0	-48.25	404.57	7.19	-41.06
COC1=CC=CC(N2C=CN=C2SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139074	1	48	-1.0	-48.23	404.51	7.16	-41.07
CCCCOC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139075	0	53	-1.0	-44.82	423.30	5.05	-39.77
CCCCOC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139075	1	53	-1.0	-44.84	423.36	5.08	-39.76
O=C(CSCC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139076	0	40	-1.0	-49.34	360.39	7.48	-41.86
O=C(CSCC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139076	1	40	-1.0	-49.38	360.44	7.50	-41.88
O=C(CCCC1=NC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139077	0	44	-1.0	-53.64	369.23	6.45	-47.19
O=C(CCCC1=NC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139077	1	44	-1.0	-53.64	369.29	6.48	-47.16
CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139078	0	43	-1.0	-43.38	363.78	4.36	-39.02
CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139078	1	43	-1.0	-43.43	363.84	4.38	-39.05
O=C(CCCNC(=O)C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139079	0	46	-1.0	-49.34	389.40	5.22	-44.12
O=C(CCCNC(=O)C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139079	1	46	-1.0	-49.33	389.46	5.24	-44.09
O=C(CN1C(=O)C2CCCCC2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139080	0	46	-1.0	-51.91	362.72	4.67	-47.24
O=C(CN1C(=O)C2CCCCC2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139080	1	46	-1.0	-51.94	362.77	4.69	-47.25
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC(C)=CC=C1	REAL300020139081	0	50	-1.0	-47.56	395.28	9.05	-38.51
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC(C)=CC=C1	REAL300020139081	1	50	-1.0	-47.53	395.34	9.08	-38.45
CCCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139082	0	50	-1.0	-47.11	393.41	6.13	-40.98
CCCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139082	1	50	-1.0	-47.11	393.47	6.16	-40.95
CC1=CC(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020139083	0	46	-1.0	-49.91	381.48	6.94	-42.97
CC1=CC(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020139083	1	46	-1.0	-49.94	381.53	6.96	-42.98
O=C(CSC1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139084	0	39	-1.0	-49.93	341.42	6.64	-43.29
O=C(CSC1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139084	1	39	-1.0	-49.91	341.48	6.66	-43.25
CCOC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139085	0	48	-1.0	-45.37	387.44	6.31	-39.06
CCOC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139085	1	48	-1.0	-45.39	387.49	6.33	-39.06
O=C(COC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139086	0	43	-1.0	-52.85	349.60	7.62	-45.23
O=C(COC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139086	1	43	-1.0	-52.85	349.66	7.65	-45.20
O=C(CCSC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139087	0	40	-1.0	-46.15	334.86	6.70	-39.45
O=C(CCSC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139087	1	40	-1.0	-46.10	334.92	6.73	-39.37
O=C(C1=CC=CS1)N1CCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139088	0	44	-1.0	-60.04	357.89	5.01	-55.03
O=C(C1=CC=CS1)N1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139088	1	44	-1.0	-60.02	357.95	5.04	-54.98
CC1CCN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2[N+](=O)[O-])CC1	REAL300020139089	0	53	-1.0	-53.00	404.65	7.45	-45.55
CC1CCN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2[N+](=O)[O-])CC1	REAL300020139089	1	53	-1.0	-53.04	404.70	7.47	-45.57
CC1=CC=C(SCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139090	0	43	-1.0	-46.15	356.26	7.38	-38.77
CC1=CC=C(SCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139090	1	43	-1.0	-46.19	356.32	7.40	-38.79
CC1=CC(=O)OC2=CC(OCC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020139091	0	45	-1.0	-62.62	369.44	7.44	-55.18
CC1=CC(=O)OC2=CC(OCC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020139091	1	45	-1.0	-62.61	369.50	7.47	-55.14
CCC(OC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139092	0	43	-1.0	-49.86	332.68	6.25	-43.61
CCC(OC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139092	1	43	-1.0	-49.85	332.74	6.27	-43.58
CC1=CC=C(C)C(N2N=NN=C2SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139093	0	48	-1.0	-46.71	404.86	6.95	-39.76
CC1=CC=C(C)C(N2N=NN=C2SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139093	1	48	-1.0	-46.65	404.80	6.93	-39.72
O=C(C1=CC=C(OC(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139094	0	37	-1.0	-46.34	309.68	4.03	-42.31
O=C(C1=CC=C(OC(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139094	1	37	-1.0	-46.37	309.74	4.05	-42.32
CC1=CC=C(S(=O)(=O)NCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020139095	0	50	-1.0	-52.93	409.26	3.01	-49.92
CC1=CC=C(S(=O)(=O)NCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020139095	1	50	-1.0	-52.93	409.32	3.04	-49.89
CC1=CC=C(S(=O)(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020139096	0	47	-1.0	-51.75	387.21	2.32	-49.43
CC1=CC=C(S(=O)(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020139096	1	47	-1.0	-51.79	387.27	2.34	-49.45
CC1=CC=C(Cl)C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139097	0	40	-1.0	-52.65	341.03	6.55	-46.10
CC1=CC=C(Cl)C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139097	1	40	-1.0	-52.68	341.08	6.58	-46.10
O=C(COC1=CC=C2CCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139098	0	44	-1.0	-51.04	349.14	7.27	-43.77
O=C(COC1=CC=C2CCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139098	1	44	-1.0	-51.03	349.20	7.29	-43.74
O=C(CC1OC(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139099	0	40	-1.0	-58.37	331.91	6.39	-51.98
O=C(CC1OC(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139099	1	40	-1.0	-58.37	331.96	6.42	-51.95
CC1=CC(Cl)=CC=C1OC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139100	0	43	-1.0	-48.77	353.41	6.89	-41.88
CC1=CC(Cl)=CC=C1OC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139100	1	43	-1.0	-48.79	353.47	6.92	-41.87
COC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139101	0	37	-1.0	-40.82	317.34	4.57	-36.25
COC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139101	1	37	-1.0	-40.83	317.39	4.59	-36.24
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)S1	REAL300020139102	0	38	-1.0	-44.04	344.21	5.80	-38.24
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)S1	REAL300020139102	1	38	-1.0	-44.03	344.26	5.82	-38.21
O=C(C1=CC=C2SCC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139103	0	39	-1.0	-47.79	329.96	3.43	-44.36
O=C(C1=CC=C2SCC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139103	1	39	-1.0	-47.82	330.02	3.45	-44.37
CCCCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020139104	0	49	-1.0	-48.62	399.41	6.18	-42.44
CCCCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020139104	1	49	-1.0	-48.60	399.47	6.21	-42.39
CCCOC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139105	0	47	-1.0	-50.64	376.47	6.37	-44.27
CCCOC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139105	1	47	-1.0	-50.68	376.53	6.40	-44.28
CCN(CC)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139106	0	50	-1.0	-48.01	407.20	4.17	-43.84
CCN(CC)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139106	1	50	-1.0	-48.04	407.26	4.19	-43.85
CC1=CC(Br)=CC=C1SCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139107	0	40	-1.0	-46.73	352.98	7.14	-39.59
CC1=CC(Br)=CC=C1SCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139107	1	40	-1.0	-46.70	353.03	7.17	-39.53
O=C(C1=CC=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139108	0	39	-1.0	-49.22	315.57	6.70	-42.52
O=C(C1=CC=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139108	1	39	-1.0	-49.23	315.63	6.73	-42.50
O=C(C1=CC2=CC=CC=C2OC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139109	0	38	-1.0	-49.81	317.76	5.82	-43.99
O=C(C1=CC2=CC=CC=C2OC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139109	1	38	-1.0	-49.85	317.81	5.84	-44.01
CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020139110	0	47	-1.0	-47.53	372.27	5.47	-42.06
CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020139110	1	47	-1.0	-47.51	372.33	5.50	-42.01
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020139111	0	39	-1.0	-53.17	325.33	5.17	-48.00
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020139111	1	39	-1.0	-53.16	325.39	5.19	-47.97
CC(C)(C)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020139112	0	51	-1.0	-46.01	354.68	6.60	-39.41
CC(C)(C)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020139112	1	51	-1.0	-46.05	354.74	6.63	-39.42
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020139113	0	38	-1.0	-49.10	311.40	5.53	-43.57
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020139113	1	38	-1.0	-49.08	311.46	5.56	-43.52
O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139114	0	49	-1.0	-47.75	383.44	9.35	-38.40
O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139114	1	49	-1.0	-47.74	383.50	9.37	-38.37
O=C(C1=CC(F)=C(F)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139115	0	33	-1.0	-42.39	298.14	5.03	-37.36
O=C(C1=CC(F)=C(F)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139115	1	33	-1.0	-42.34	298.20	5.06	-37.28
COC1=CC(OC)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139116	0	45	-1.0	-49.98	359.14	3.29	-46.69
COC1=CC(OC)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139116	1	45	-1.0	-49.99	359.20	3.31	-46.68
CC1=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL300020139117	0	43	-1.0	-50.58	346.43	6.69	-43.89
CC1=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020139117	1	43	-1.0	-50.56	346.49	6.72	-43.84
O=C(COC1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139118	0	40	-1.0	-52.67	342.64	6.37	-46.30
O=C(COC1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139118	1	40	-1.0	-52.67	342.70	6.39	-46.28
COC1=CC=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139119	0	41	-1.0	-54.82	332.83	5.10	-49.72
COC1=CC=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139119	1	41	-1.0	-54.80	332.89	5.13	-49.67
COC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139120	0	48	-1.0	-47.25	387.66	2.44	-44.81
COC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139120	1	48	-1.0	-47.24	387.72	2.47	-44.77
CC(C)(C)C1=CC=C(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139121	0	52	-1.0	-44.67	405.16	5.54	-39.13
CC(C)(C)C1=CC=C(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139121	1	52	-1.0	-44.73	405.21	5.57	-39.16
CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020139122	0	43	-1.0	-50.75	341.98	6.56	-44.19
CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020139122	1	43	-1.0	-50.79	342.04	6.59	-44.20
CC1=CC=C(S(=O)(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139123	0	44	-1.0	-51.64	370.17	1.77	-49.87
CC1=CC=C(S(=O)(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139123	1	44	-1.0	-51.67	370.23	1.80	-49.87
O=C(COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139124	0	49	-1.0	-52.65	400.20	8.61	-44.04
O=C(COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139124	1	49	-1.0	-52.64	400.25	8.64	-44.00
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020139125	0	43	-1.0	-54.89	351.66	6.02	-48.87
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020139125	1	43	-1.0	-54.94	351.71	6.05	-48.89
COC1=CC=C(OC)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139126	0	41	-1.0	-50.01	328.98	3.30	-46.71
COC1=CC=C(OC)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139126	1	41	-1.0	-49.99	329.04	3.32	-46.67
O=C(C1=NNC(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139127	0	38	-1.0	-42.64	315.96	2.55	-40.09
O=C(C1=NNC(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139127	1	38	-1.0	-42.65	316.01	2.58	-40.07
O=C(COC1=CC=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139128	0	37	-1.0	-51.92	336.34	6.40	-45.52
O=C(COC1=CC=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139128	1	37	-1.0	-51.95	336.40	6.42	-45.53
O=C(C1=CC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139129	0	33	-1.0	-47.48	290.40	5.04	-42.44
O=C(C1=CC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139129	1	33	-1.0	-47.49	290.46	5.07	-42.42
CCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020139130	0	45	-1.0	-46.90	351.60	7.22	-39.68
CCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020139130	1	45	-1.0	-46.91	351.66	7.24	-39.67
O=C(CN1C=NC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139131	0	41	-1.0	-57.76	340.37	5.92	-51.84
O=C(CN1C=NC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139131	1	41	-1.0	-57.77	340.32	5.89	-51.88
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCOCC1	REAL300020139132	0	44	-1.0	-45.52	344.61	2.34	-43.18
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCOCC1	REAL300020139132	1	44	-1.0	-45.52	344.66	2.36	-43.16
O=C(C=CC1=CC=C(OC(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139133	0	41	-1.0	-40.02	342.66	5.53	-34.49
O=C(C=CC1=CC=C(OC(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139133	1	41	-1.0	-40.03	342.72	5.55	-34.48
O=C(CNC(=O)C1=CC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139134	0	37	-1.0	-46.78	313.24	1.21	-45.57
O=C(CNC(=O)C1=CC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139134	1	37	-1.0	-46.76	313.30	1.23	-45.53
O=C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139135	0	43	-1.0	-44.20	367.71	4.21	-39.99
O=C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139135	1	43	-1.0	-44.18	367.77	4.23	-39.95
O=C(CNC(=O)C1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139136	0	40	-1.0	-44.35	360.93	4.20	-40.15
O=C(CNC(=O)C1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139136	1	40	-1.0	-44.29	360.99	4.22	-40.07
COC1=CC=CC(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139137	0	44	-1.0	-46.81	358.52	2.52	-44.29
COC1=CC=CC(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139137	1	44	-1.0	-46.87	358.58	2.54	-44.33
O=C(CNC(=O)C1=CC=C2OCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139138	0	43	-1.0	-46.50	355.06	1.89	-44.61
O=C(CNC(=O)C1=CC=C2OCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139138	1	43	-1.0	-46.55	355.12	1.91	-44.64
O=C(CNC(=O)C1=CC=C(Br)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139139	0	37	-1.0	-45.26	334.93	1.93	-43.33
O=C(CNC(=O)C1=CC=C(Br)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139139	1	37	-1.0	-45.31	334.99	1.96	-43.35
COC1=CC(OC)=CC(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139140	0	48	-1.0	-47.93	387.98	1.83	-46.10
COC1=CC(OC)=CC(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139140	1	48	-1.0	-47.92	388.04	1.85	-46.07
CCOC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139141	0	47	-1.0	-45.21	380.27	3.45	-41.76
CCOC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139141	1	47	-1.0	-45.23	380.33	3.48	-41.75
CCOC(=O)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020139142	0	47	-1.0	-49.28	365.58	4.44	-44.84
CCOC(=O)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020139142	1	47	-1.0	-49.25	365.64	4.46	-44.79
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139143	0	49	-1.0	-42.77	378.66	5.26	-37.51
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139143	1	49	-1.0	-42.78	378.72	5.29	-37.49
CCCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139144	0	46	-1.0	-45.48	364.79	6.26	-39.22
CCCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139144	1	46	-1.0	-45.46	364.84	6.29	-39.17
O=C(CC1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139145	0	38	-1.0	-51.01	322.89	6.11	-44.90
O=C(CC1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139145	1	38	-1.0	-51.00	322.95	6.13	-44.87
O=C(CCSC1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139146	0	40	-1.0	-45.73	349.88	7.15	-38.58
O=C(CCSC1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139146	1	40	-1.0	-45.74	349.93	7.18	-38.56
CC1=CC(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020139147	0	45	-1.0	-45.75	373.20	4.40	-41.35
CC1=CC(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020139147	1	45	-1.0	-45.71	373.25	4.43	-41.28
CCOC(=O)C1=C(C)NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020139148	0	46	-1.0	-45.65	379.44	5.05	-40.60
CCOC(=O)C1=C(C)NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020139148	1	46	-1.0	-45.66	379.50	5.08	-40.58
O=C(CCN1C(=O)C2CCCCC2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139149	0	49	-1.0	-49.74	383.70	5.10	-44.64
O=C(CCN1C(=O)C2CCCCC2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139149	1	49	-1.0	-49.74	383.76	5.12	-44.62
CC1=NC2=CC=CC=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139150	0	41	-1.0	-46.71	330.54	5.39	-41.32
CC1=NC2=CC=CC=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139150	1	41	-1.0	-46.77	330.60	5.41	-41.36
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139151	0	39	-1.0	-38.22	331.69	6.60	-31.62
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139151	1	39	-1.0	-38.25	331.75	6.62	-31.63
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020139152	0	51	-1.0	-46.42	407.71	9.17	-37.25
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020139152	1	51	-1.0	-46.44	407.66	9.14	-37.30
O=C(C1=CC(C2=CC=CO2)=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139153	0	45	-1.0	-46.80	371.49	6.61	-40.19
O=C(C1=CC(C2=CC=CO2)=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139153	1	45	-1.0	-46.82	371.43	6.59	-40.23
O=C(C1=CC(C2=CC=CC=N2)=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139154	0	47	-1.0	-47.99	383.79	6.97	-41.02
O=C(C1=CC(C2=CC=CC=N2)=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139154	1	47	-1.0	-47.97	383.85	7.00	-40.97
O=C(CC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139155	0	36	-1.0	-47.21	315.96	6.06	-41.15
O=C(CC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139155	1	36	-1.0	-47.25	316.02	6.09	-41.16
O=C(C1=CC=C(F)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139156	0	33	-1.0	-35.69	288.54	4.93	-30.76
O=C(C1=CC=C(F)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139156	1	33	-1.0	-35.73	288.59	4.95	-30.78
O=C(CC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020139157	0	38	-1.0	-52.37	317.97	5.92	-46.45
O=C(CC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020139157	1	38	-1.0	-52.34	318.02	5.94	-46.40
O=C(CSC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139158	0	36	-1.0	-48.64	308.41	4.21	-44.43
O=C(CSC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139158	1	36	-1.0	-48.64	308.35	4.19	-44.45
O=C(COC1=CC(Cl)=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139159	0	37	-1.0	-49.33	351.52	6.85	-42.48
O=C(COC1=CC(Cl)=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139159	1	37	-1.0	-49.33	351.57	6.88	-42.45
COC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139160	0	44	-1.0	-45.54	358.45	2.53	-43.01
COC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139160	1	44	-1.0	-45.51	358.50	2.56	-42.95
O=C(C1=CC(=O)NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139161	0	39	-1.0	-47.09	324.25	3.57	-43.52
O=C(C1=CC(=O)NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139161	1	39	-1.0	-47.08	324.31	3.60	-43.48
O=C(COC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139162	0	51	-1.0	-52.09	414.88	8.64	-43.45
O=C(COC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139162	1	51	-1.0	-52.11	414.94	8.66	-43.45
CC1=CC=C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139163	0	43	-1.0	-46.13	345.94	5.74	-40.39
CC1=CC=C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139163	1	43	-1.0	-46.12	346.00	5.77	-40.35
O=C(CCSC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139164	0	40	-1.0	-45.26	351.59	7.22	-38.04
O=C(CCSC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139164	1	40	-1.0	-45.25	351.64	7.25	-38.00
O=C(NC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CO1	REAL300020139165	0	50	-1.0	-46.40	403.89	5.30	-41.10
O=C(NC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CO1	REAL300020139165	1	50	-1.0	-46.41	403.95	5.32	-41.09
COC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139166	0	41	-1.0	-51.29	333.11	4.65	-46.64
COC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139166	1	41	-1.0	-51.29	333.17	4.67	-46.62
O=C(CCC1=NC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139167	0	41	-1.0	-48.06	347.77	5.68	-42.38
O=C(CCC1=NC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139167	1	41	-1.0	-48.05	347.83	5.71	-42.34
O=C(COC1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139168	0	37	-1.0	-53.15	319.62	5.89	-47.26
O=C(COC1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139168	1	37	-1.0	-53.16	319.68	5.91	-47.25
O=C(C1=CC=CC=C1OCC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139169	0	47	-1.0	-51.65	399.08	8.53	-43.12
O=C(C1=CC=CC=C1OCC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139169	1	47	-1.0	-51.65	399.14	8.55	-43.10
CC1=CC=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139170	0	40	-1.0	-50.66	324.99	6.02	-44.64
CC1=CC=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139170	1	40	-1.0	-50.71	325.05	6.05	-44.66
CC1=CC=C(SCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020139171	0	46	-1.0	-46.49	373.28	7.92	-38.57
CC1=CC=C(SCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020139171	1	46	-1.0	-46.47	373.34	7.95	-38.52
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139172	0	39	-1.0	-45.52	325.29	5.10	-40.42
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139172	1	39	-1.0	-45.54	325.34	5.13	-40.41
O=C(C1=CC=C(COC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139173	0	47	-1.0	-47.02	381.77	7.72	-39.30
O=C(C1=CC=C(COC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139173	1	47	-1.0	-46.99	381.83	7.75	-39.24
O=C(C1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139174	0	47	-1.0	-46.69	381.17	7.70	-38.99
O=C(C1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139174	1	47	-1.0	-46.73	381.23	7.73	-39.00
CCOC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139175	0	43	-1.0	-49.01	346.03	5.66	-43.35
CCOC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139175	1	43	-1.0	-48.99	346.09	5.69	-43.30
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=C1C	REAL300020139176	0	50	-1.0	-47.60	397.27	9.38	-38.22
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=C1C	REAL300020139176	1	50	-1.0	-47.58	397.33	9.40	-38.18
CC1=NOC(C)=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139177	0	41	-1.0	-46.61	333.37	5.03	-41.58
CC1=NOC(C)=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139177	1	41	-1.0	-46.55	333.43	5.06	-41.49
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020139178	0	41	-1.0	-53.64	343.68	2.96	-50.68
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020139178	1	41	-1.0	-53.69	343.74	2.98	-50.71
CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139179	0	50	-1.0	-48.86	410.15	5.45	-43.41
CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139179	1	50	-1.0	-48.83	410.21	5.48	-43.35
CCOC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139180	0	44	-1.0	-51.06	354.97	5.57	-45.49
CCOC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139180	1	44	-1.0	-51.04	355.03	5.60	-45.44
CC1SC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2NC1=O	REAL300020139181	0	42	-1.0	-47.21	349.45	4.16	-43.05
CC1SC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2NC1=O	REAL300020139181	1	42	-1.0	-47.24	349.50	4.18	-43.06
O=C(COC1=CC=C2C=CC(=O)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139182	0	42	-1.0	-63.07	351.31	6.87	-56.20
O=C(COC1=CC=C2C=CC(=O)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139182	1	42	-1.0	-63.07	351.37	6.90	-56.17
COC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OCC#N	REAL300020139183	0	46	-1.0	-56.40	383.30	5.84	-50.56
COC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OCC#N	REAL300020139183	1	46	-1.0	-56.40	383.36	5.87	-50.53
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C2OCCOC2=C1	REAL300020139184	0	47	-1.0	-47.78	380.76	5.25	-42.53
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C2OCCOC2=C1	REAL300020139184	1	47	-1.0	-47.76	380.82	5.27	-42.49
O=C(C1=NOC(C2=CC=C(Cl)C=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139185	0	39	-1.0	-42.14	342.43	6.57	-35.57
O=C(C1=NOC(C2=CC=C(Cl)C=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139185	1	39	-1.0	-42.13	342.37	6.54	-35.59
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020139186	0	38	-1.0	-51.84	336.68	-0.07	-51.91
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020139186	1	38	-1.0	-51.83	336.74	-0.04	-51.87
CC(C)CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020139187	0	52	-1.0	-46.35	410.01	8.34	-38.01
CC(C)CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020139187	1	52	-1.0	-46.34	410.07	8.37	-37.97
CC1=CC(C)=CC(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139188	0	46	-1.0	-45.31	371.85	4.55	-40.76
CC1=CC(C)=CC(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139188	1	46	-1.0	-45.33	371.91	4.58	-40.75
O=C(CNC(=O)C1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139189	0	46	-1.0	-43.67	354.79	3.46	-40.21
O=C(CNC(=O)C1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139189	1	46	-1.0	-43.65	354.85	3.48	-40.17
CCOC1=CC=CC=C1C(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139190	0	47	-1.0	-48.36	378.20	4.68	-43.68
CCOC1=CC=CC=C1C(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139190	1	47	-1.0	-48.35	378.25	4.71	-43.64
O=C(CNC(=O)C1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139191	0	37	-1.0	-45.27	321.20	2.22	-43.05
O=C(CNC(=O)C1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139191	1	37	-1.0	-45.25	321.26	2.24	-43.01
O=C(C1=CC=C(COC2=CC=C(Cl)C=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139192	0	47	-1.0	-47.56	398.49	8.24	-39.32
O=C(C1=CC=C(COC2=CC=C(Cl)C=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139192	1	47	-1.0	-47.57	398.55	8.27	-39.30
O=C(CNC(=O)C1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139193	0	40	-1.0	-45.19	335.46	3.29	-41.90
O=C(CNC(=O)C1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139193	1	40	-1.0	-45.22	335.52	3.31	-41.91
O=C(C=CC1=CC=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139194	0	37	-1.0	-36.41	324.80	6.55	-29.86
O=C(C=CC1=CC=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139194	1	37	-1.0	-36.43	324.86	6.58	-29.85
CC1=NN(C2=CC=C(Cl)C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)C(C)=C1	REAL300020139195	0	45	-1.0	-44.40	381.45	7.47	-36.93
CC1=NN(C2=CC=C(Cl)C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C(C)=C1	REAL300020139195	1	45	-1.0	-44.38	381.39	7.44	-36.94
CCN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C1=O	REAL300020139196	0	44	-1.0	-43.84	353.05	5.29	-38.55
CCN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C1=O	REAL300020139196	1	44	-1.0	-43.84	353.11	5.32	-38.52
O=C(CSC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139197	0	37	-1.0	-47.16	329.95	6.49	-40.67
O=C(CSC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139197	1	37	-1.0	-47.13	330.01	6.51	-40.62
O=C(CC1=CSC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139198	0	42	-1.0	-54.22	358.40	6.43	-47.79
O=C(CC1=CSC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139198	1	42	-1.0	-54.21	358.34	6.41	-47.80
O=C(C1=CC=C2NC3=C(CCCC3)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139199	0	47	-1.0	-47.46	365.53	6.90	-40.56
O=C(C1=CC=C2NC3=C(CCCC3)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139199	1	47	-1.0	-47.47	365.59	6.93	-40.54
O=C(CCOC1=CC=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139200	0	40	-1.0	-44.57	345.84	5.69	-38.88
O=C(CCOC1=CC=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139200	1	40	-1.0	-44.61	345.89	5.72	-38.89
CCN1C2=CC=CC=C2N=C1SCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139201	0	46	-1.0	-47.49	385.95	7.50	-39.99
CCN1C2=CC=CC=C2N=C1SCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139201	1	46	-1.0	-47.48	385.89	7.47	-40.01
O=C(C1=CC=C(N2CCCC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139202	0	44	-1.0	-50.05	346.73	5.53	-44.52
O=C(C1=CC=C(N2CCCC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139202	1	44	-1.0	-50.09	346.79	5.55	-44.54
CC1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300020139203	0	50	-1.0	-47.00	386.35	7.54	-39.46
CC1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C1N2	REAL300020139203	1	50	-1.0	-47.05	386.41	7.57	-39.48
CC(C)COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139204	0	46	-1.0	-45.22	362.87	6.15	-39.07
CC(C)COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139204	1	46	-1.0	-45.25	362.93	6.17	-39.08
CC(C)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139205	0	45	-1.0	-45.42	351.62	7.13	-38.29
CC(C)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139205	1	45	-1.0	-45.38	351.68	7.15	-38.23
O=C(C1=CC=C(C2CCCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139206	0	49	-1.0	-45.09	372.27	8.24	-36.85
O=C(C1=CC=C(C2CCCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139206	1	49	-1.0	-45.11	372.33	8.26	-36.85
COCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139207	0	40	-1.0	-46.05	325.56	4.17	-41.88
COCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139207	1	40	-1.0	-46.07	325.62	4.20	-41.87
CC(C)OCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139208	0	46	-1.0	-45.76	367.69	5.89	-39.87
CC(C)OCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139208	1	46	-1.0	-45.76	367.75	5.92	-39.84
CN1C(=O)NC(=O)C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020139209	0	41	-1.0	-38.77	339.67	1.85	-36.92
CN1C(=O)NC(=O)C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020139209	1	41	-1.0	-38.77	339.73	1.88	-36.89
O=C(CC1=CC=C2CCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139210	0	43	-1.0	-48.37	340.21	7.34	-41.03
O=C(CC1=CC=C2CCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139210	1	43	-1.0	-48.35	340.26	7.37	-40.98
O=C(C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139211	0	47	-1.0	-52.77	371.09	6.62	-46.15
O=C(C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139211	1	47	-1.0	-52.78	371.15	6.65	-46.13
CSC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139212	0	37	-1.0	-45.63	310.59	5.45	-40.18
CSC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139212	1	37	-1.0	-45.64	310.64	5.48	-40.16
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139213	0	37	-1.0	-51.18	305.02	1.22	-49.96
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139213	1	37	-1.0	-51.22	305.07	1.25	-49.97
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=C1	REAL300020139214	0	47	-1.0	-47.77	378.57	8.48	-39.29
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=C1	REAL300020139214	1	47	-1.0	-47.78	378.62	8.50	-39.28
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=C(F)C=C1	REAL300020139215	0	47	-1.0	-40.13	380.22	8.42	-31.71
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=C(F)C=C1	REAL300020139215	1	47	-1.0	-40.18	380.27	8.45	-31.73
O=C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139216	0	39	-1.0	-42.26	347.62	6.42	-35.84
O=C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139216	1	39	-1.0	-42.28	347.68	6.44	-35.84
O=C(C1=CC=C(OC(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139217	0	37	-1.0	-44.34	316.42	4.24	-40.10
O=C(C1=CC=C(OC(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139217	1	37	-1.0	-44.34	316.48	4.27	-40.07
O=C(C1=CC(C2=CC=CN=C2)=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139218	0	47	-1.0	-47.38	381.32	6.70	-40.68
O=C(C1=CC(C2=CC=CN=C2)=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139218	1	47	-1.0	-47.36	381.26	6.68	-40.68
O=C(C1=CC(C2=CC=CS2)=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139219	0	45	-1.0	-45.86	379.12	7.54	-38.32
O=C(C1=CC(C2=CC=CS2)=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139219	1	45	-1.0	-45.83	379.06	7.52	-38.31
CC1=NN(C2=CC=CC=C2)C2=C1C=C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)S2	REAL300020139220	0	46	-1.0	-43.14	389.43	7.52	-35.62
CC1=NN(C2=CC=CC=C2)C2=C1C=C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)S2	REAL300020139220	1	46	-1.0	-43.15	389.49	7.55	-35.60
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139221	0	48	-1.0	-48.35	391.79	3.55	-44.80
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139221	1	48	-1.0	-48.37	391.85	3.58	-44.79
CC1=CC=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139222	0	40	-1.0	-50.22	323.66	6.06	-44.16
CC1=CC=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139222	1	40	-1.0	-50.24	323.72	6.09	-44.15
O=C(CCC(=O)N1CC(=O)NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139223	0	48	-1.0	-49.53	385.29	3.94	-45.59
O=C(CCC(=O)N1CC(=O)NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139223	1	48	-1.0	-49.52	385.35	3.97	-45.55
CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139224	0	40	-1.0	-53.88	323.98	3.29	-50.59
CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139224	1	40	-1.0	-53.88	324.04	3.32	-50.56
O=C(CCCC1=CNC2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139225	0	46	-1.0	-51.94	369.48	7.08	-44.86
O=C(CCCC1=CNC2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139225	1	46	-1.0	-51.94	369.53	7.11	-44.83
O=C(C1=CC=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139226	0	33	-1.0	-43.63	291.22	5.04	-38.59
O=C(C1=CC=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139226	1	33	-1.0	-43.62	291.27	5.06	-38.56
O=C(CC1=CNC2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139227	0	40	-1.0	-51.00	326.61	5.51	-45.49
O=C(CC1=CNC2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139227	1	40	-1.0	-51.01	326.67	5.53	-45.48
O=C(CNC(=O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139228	0	40	-1.0	-45.45	329.05	3.22	-42.23
O=C(CNC(=O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139228	1	40	-1.0	-45.49	329.11	3.24	-42.25
O=C(C1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139229	0	33	-1.0	-43.63	291.79	5.07	-38.56
O=C(C1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139229	1	33	-1.0	-43.63	291.84	5.09	-38.54
CN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139230	0	44	-1.0	-53.26	365.49	2.42	-50.84
CN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139230	1	44	-1.0	-53.19	365.55	2.45	-50.74
O=C(CCNS(=O)(=O)C1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139231	0	44	-1.0	-55.81	369.14	1.54	-54.27
O=C(CCNS(=O)(=O)C1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139231	1	44	-1.0	-55.85	369.20	1.57	-54.28
CCCCCC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139232	0	56	-1.0	-44.62	443.70	9.87	-34.75
CCCCCC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139232	1	56	-1.0	-44.68	443.76	9.89	-34.79
CCOC(=O)C1=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1	REAL300020139233	0	46	-1.0	-47.67	377.06	5.08	-42.59
CCOC(=O)C1=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020139233	1	46	-1.0	-47.75	377.12	5.11	-42.64
COC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)F	REAL300020139234	0	45	-1.0	-50.03	371.84	5.43	-44.60
COC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020139234	1	45	-1.0	-50.01	371.90	5.46	-44.55
CC(C)C(NC(=O)C1=C(F)C=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139235	0	49	-1.0	-48.06	388.47	5.14	-42.92
CC(C)C(NC(=O)C1=C(F)C=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139235	1	49	-1.0	-48.07	388.53	5.17	-42.90
CC(=O)C1=CC=C(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139236	0	48	-1.0	-56.04	388.66	6.35	-49.69
CC(=O)C1=CC=C(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139236	1	48	-1.0	-56.07	388.72	6.38	-49.69
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300020139237	0	47	-1.0	-47.76	367.28	5.14	-42.62
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300020139237	1	47	-1.0	-47.73	367.34	5.17	-42.56
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OCCC(C)C	REAL300020139238	0	53	-1.0	-46.84	411.51	6.68	-40.16
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OCCC(C)C	REAL300020139238	1	53	-1.0	-46.86	411.57	6.70	-40.16
CCCCCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139239	0	56	-1.0	-47.10	436.41	7.69	-39.41
CCCCCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139239	1	56	-1.0	-47.08	436.46	7.72	-39.36
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OCC1=CC=CC=C1	REAL300020139240	0	51	-1.0	-48.67	410.31	7.61	-41.06
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OCC1=CC=CC=C1	REAL300020139240	1	51	-1.0	-48.68	410.37	7.64	-41.04
O=C(CN1C(=O)COC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139241	0	42	-1.0	-54.86	341.14	4.15	-50.71
O=C(CN1C(=O)COC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139241	1	42	-1.0	-54.88	341.20	4.17	-50.71
O=C(CCNS(=O)(=O)C1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139242	0	44	-1.0	-53.71	372.54	1.85	-51.86
O=C(CCNS(=O)(=O)C1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139242	1	44	-1.0	-53.70	372.60	1.87	-51.83
O=C(C=CC1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020139243	0	54	-1.0	-55.18	420.31	7.98	-47.20
O=C(C=CC1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020139243	1	54	-1.0	-55.17	420.37	8.01	-47.16
O=C(CCCNS(=O)(=O)C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139244	0	47	-1.0	-53.88	398.75	2.67	-51.21
O=C(CCCNS(=O)(=O)C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139244	1	47	-1.0	-53.88	398.81	2.70	-51.18
CCC1=CC=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139245	0	43	-1.0	-50.15	345.29	6.81	-43.34
CCC1=CC=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139245	1	43	-1.0	-50.19	345.34	6.83	-43.36
O=C(COC1=CC=CC=C1CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139246	0	50	-1.0	-51.51	403.02	9.83	-41.68
O=C(COC1=CC=CC=C1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139246	1	50	-1.0	-51.53	403.08	9.86	-41.67
COC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300020139247	0	51	-1.0	-49.87	401.99	6.69	-43.18
COC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300020139247	1	51	-1.0	-49.85	402.05	6.71	-43.14
O=C(CN1CCCCCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139248	0	43	-1.0	-53.93	326.59	4.43	-49.50
O=C(CN1CCCCCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139248	1	43	-1.0	-53.93	326.65	4.45	-49.48
O=C(C1CC(=O)N(CC2=CC=CC=C2Cl)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139249	0	47	-1.0	-48.70	386.91	6.45	-42.25
O=C(C1CC(=O)N(CC2=CC=CC=C2Cl)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139249	1	47	-1.0	-48.68	386.97	6.47	-42.21
CCC1=CC=CC=C1N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020139250	0	50	-1.0	-56.99	385.92	7.32	-49.67
CCC1=CC=CC=C1N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020139250	1	50	-1.0	-56.97	385.98	7.34	-49.63
CC1=CC(NC(=O)CSCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020139251	0	43	-1.0	-58.33	368.76	4.30	-54.03
CC1=CC(NC(=O)CSCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020139251	1	43	-1.0	-58.31	368.82	4.33	-53.98
CCC1=C(C)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139252	0	39	-1.0	-37.93	320.89	5.51	-32.42
CCC1=C(C)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139252	1	39	-1.0	-37.97	320.94	5.53	-32.44
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020139253	0	39	-1.0	-54.00	340.36	2.33	-51.67
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020139253	1	39	-1.0	-54.00	340.42	2.36	-51.64
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139254	0	42	-1.0	-50.29	348.72	2.60	-47.69
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139254	1	42	-1.0	-50.32	348.77	2.63	-47.69
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139255	0	42	-1.0	-44.29	354.73	-1.01	-45.30
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139255	1	42	-1.0	-44.26	354.79	-0.98	-45.24
CC(=O)C1=CC=CC(S(=O)(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139256	0	46	-1.0	-60.62	390.06	1.52	-59.10
CC(=O)C1=CC=CC(S(=O)(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139256	1	46	-1.0	-60.62	390.12	1.54	-59.08
N#CCCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139257	0	45	-1.0	-57.37	388.96	1.96	-55.41
N#CCCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139257	1	45	-1.0	-57.37	389.02	1.99	-55.38
CCN1N=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020139258	0	41	-1.0	-46.54	336.50	3.81	-42.73
CCN1N=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020139258	1	41	-1.0	-46.51	336.44	3.78	-42.73
CC(SC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139259	0	40	-1.0	-47.20	329.47	6.29	-40.91
CC(SC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139259	1	40	-1.0	-47.22	329.52	6.32	-40.90
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OCC(C)C	REAL300020139260	0	50	-1.0	-42.68	412.66	6.72	-35.96
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OCC(C)C	REAL300020139260	1	50	-1.0	-42.67	412.72	6.75	-35.92
CN(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020139261	0	43	-1.0	-51.51	350.19	5.69	-45.82
CN(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020139261	1	43	-1.0	-51.52	350.25	5.71	-45.81
CC1=CC=C(NC(=O)CSCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139262	0	47	-1.0	-59.94	393.87	5.80	-54.14
CC1=CC=C(NC(=O)CSCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139262	1	47	-1.0	-59.99	393.92	5.82	-54.17
CSCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020139263	0	37	-1.0	-44.73	317.79	4.71	-40.02
CSCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020139263	1	37	-1.0	-44.67	317.85	4.73	-39.94
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C2OCCCOC2=C1	REAL300020139264	0	50	-1.0	-47.59	399.09	6.05	-41.54
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C2OCCCOC2=C1	REAL300020139264	1	50	-1.0	-47.58	399.15	6.07	-41.51
CCOC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)F	REAL300020139265	0	48	-1.0	-49.74	393.69	6.35	-43.39
CCOC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020139265	1	48	-1.0	-49.73	393.75	6.38	-43.35
CC(SCC(=O)NC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139266	0	47	-1.0	-59.67	395.06	5.62	-54.05
CC(SCC(=O)NC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139266	1	47	-1.0	-59.63	395.12	5.65	-53.98
O=C(C1=CC=C(COC2=CC=CC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139267	0	44	-1.0	-45.36	362.94	6.09	-39.27
O=C(C1=CC=C(COC2=CC=CC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139267	1	44	-1.0	-45.39	363.00	6.12	-39.27
CCCCOC1=C(Cl)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139268	0	50	-1.0	-42.68	414.06	6.83	-35.85
CCCCOC1=C(Cl)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139268	1	50	-1.0	-42.67	414.11	6.86	-35.81
CC1=CC(NC(=O)C(C)SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020139269	0	46	-1.0	-57.55	387.22	4.87	-52.68
CC1=CC(NC(=O)C(C)SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020139269	1	46	-1.0	-57.55	387.27	4.89	-52.66
CC1=CC=C(NC(=O)CSC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139270	0	50	-1.0	-59.65	409.71	6.20	-53.45
CC1=CC=C(NC(=O)CSC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139270	1	50	-1.0	-59.65	409.77	6.22	-53.43
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139271	0	40	-2.0	-95.13	340.05	1.33	-93.80
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139271	1	40	-2.0	-95.15	340.11	1.35	-93.80
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139272	0	41	-1.0	-51.25	355.17	1.17	-50.08
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139272	1	41	-1.0	-51.27	355.22	1.19	-50.08
O=C(CCNS(=O)(=O)C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139273	0	44	-1.0	-52.29	377.21	1.86	-50.43
O=C(CCNS(=O)(=O)C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139273	1	44	-1.0	-52.32	377.27	1.89	-50.43
CC1=CC=CC=C1C(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020139274	0	52	-1.0	-43.41	394.87	6.06	-37.35
CC1=CC=CC=C1C(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020139274	1	52	-1.0	-43.38	394.93	6.09	-37.29
O=C(CNS(=O)(=O)C1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139275	0	41	-1.0	-50.64	347.10	0.85	-49.79
O=C(CNS(=O)(=O)C1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139275	1	41	-1.0	-50.63	347.15	0.88	-49.75
C[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139276	0	44	-1.0	-53.95	370.01	1.60	-52.35
C[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139276	1	44	-1.0	-53.97	370.07	1.62	-52.35
CCCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020139277	0	54	-1.0	-49.47	427.30	7.79	-41.68
CCCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020139277	1	54	-1.0	-49.50	427.35	7.82	-41.68
O=C(CN1C2=CC=CC=C2N=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139278	0	42	-1.0	-52.85	359.54	6.52	-46.33
O=C(CN1C2=CC=CC=C2N=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139278	1	42	-1.0	-52.82	359.48	6.49	-46.33
CCC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139279	0	47	-1.0	-44.82	379.20	7.53	-37.29
CCC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139279	1	47	-1.0	-44.85	379.26	7.55	-37.30
O=C(CSC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139280	0	37	-1.0	-48.13	313.23	5.97	-42.16
O=C(CSC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139280	1	37	-1.0	-48.11	313.29	5.99	-42.12
COC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139281	0	40	-1.0	-48.75	322.98	4.79	-43.96
COC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139281	1	40	-1.0	-48.78	323.04	4.82	-43.96
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020139282	0	38	-1.0	-51.43	313.51	5.58	-45.85
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020139282	1	38	-1.0	-51.43	313.57	5.60	-45.83
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1C	REAL300020139283	0	44	-1.0	-44.95	347.56	3.83	-41.12
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1C	REAL300020139283	1	44	-1.0	-44.95	347.62	3.86	-41.09
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139284	0	45	-1.0	-58.28	379.32	4.55	-53.73
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139284	1	45	-1.0	-58.25	379.38	4.57	-53.68
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139285	0	50	-1.0	-54.82	395.35	5.65	-49.17
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139285	1	50	-1.0	-54.82	395.41	5.67	-49.15
COC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139286	0	47	-1.0	-48.66	374.85	5.46	-43.20
COC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139286	1	47	-1.0	-48.65	374.90	5.48	-43.17
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139287	0	57	-1.0	-56.07	415.98	5.83	-50.24
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139287	1	57	-1.0	-56.06	416.04	5.85	-50.21
O=C(CCNS(=O)(=O)C1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139288	0	41	-1.0	-53.40	362.75	0.80	-52.60
O=C(CCNS(=O)(=O)C1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139288	1	41	-1.0	-53.42	362.80	0.82	-52.60
CC1CCCCC12NC(=O)N(CC(=O)N1CCCC(C3=N[N-]N=N3)C1)C2=O	REAL300020139289	0	51	-1.0	-52.73	392.33	4.22	-48.51
CC1CCCCC12NC(=O)N(CC(=O)N1CCCC(C3=NN=N[N-]3)C1)C2=O	REAL300020139289	1	51	-1.0	-52.76	392.39	4.25	-48.51
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139290	0	40	-2.0	-104.93	356.06	0.99	-103.94
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139290	1	40	-2.0	-104.94	356.11	1.01	-103.93
O=C(CNS(=O)(=O)C1=C(F)C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139290	1	41	-1.0	-54.20	357.31	1.39	-52.81
O=C(CNS(=O)(=O)C1=C(F)C=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139290	1	41	-1.0	-54.24	357.36	1.42	-52.82
CC1=CC=C(OC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139291	0	43	-1.0	-50.06	339.51	6.41	-43.65
CC1=CC=C(OC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139291	1	43	-1.0	-50.10	339.56	6.44	-43.66
CC1=CC=CC(OC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139292	0	43	-1.0	-50.38	338.81	6.39	-43.99
CC1=CC=CC(OC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139292	1	43	-1.0	-50.38	338.86	6.41	-43.97
NC(=O)C1=CC=C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020139293	0	43	-1.0	-65.25	371.09	3.25	-62.00
NC(=O)C1=CC=C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020139293	1	43	-1.0	-65.30	371.14	3.28	-62.02
CC(C)CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C1=O	REAL300020139294	0	50	-1.0	-42.91	397.42	6.61	-36.30
CC(C)CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C1=O	REAL300020139294	1	50	-1.0	-42.92	397.48	6.64	-36.28
CCCCCN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C1=O	REAL300020139295	0	53	-1.0	-43.31	417.55	7.60	-35.71
CCCCCN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C1=O	REAL300020139295	1	53	-1.0	-43.31	417.61	7.63	-35.68
O=C(C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139296	0	50	-1.0	-52.26	390.21	4.69	-47.57
O=C(C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139296	1	50	-1.0	-52.30	390.26	4.71	-47.59
CCOC1=CC=CC=C1N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020139297	0	51	-1.0	-57.50	402.57	6.05	-51.45
CCOC1=CC=CC=C1N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020139297	1	51	-1.0	-57.49	402.63	6.08	-51.41
CNC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020139298	0	40	-1.0	-38.56	326.20	4.03	-34.53
CNC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020139298	1	40	-1.0	-38.58	326.26	4.06	-34.52
CC(C)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139299	0	46	-1.0	-38.08	363.64	7.85	-30.23
CC(C)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139299	1	46	-1.0	-38.10	363.70	7.87	-30.23
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCC(C2=CC=CC=C2)=N1	REAL300020139300	0	50	-1.0	-50.48	407.32	6.55	-43.93
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCC(C2=CC=CC=C2)=N1	REAL300020139300	1	50	-1.0	-50.43	407.37	6.58	-43.85
O=C(NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C1CC1	REAL300020139301	0	44	-1.0	-53.22	354.66	4.87	-48.35
O=C(NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C1CC1	REAL300020139301	1	44	-1.0	-53.23	354.72	4.90	-48.33
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139302	0	41	-1.0	-51.70	342.29	0.01	-51.69
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139302	1	41	-1.0	-51.70	342.35	0.04	-51.66
NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139303	0	38	-1.0	-54.70	328.42	-0.60	-55.30
NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139303	1	38	-1.0	-54.70	328.48	-0.57	-55.27
O=C(C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139304	0	40	-1.0	-48.43	355.28	7.35	-41.08
O=C(C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139304	1	40	-1.0	-48.45	355.34	7.37	-41.08
CCOC1=C(Cl)C=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139305	0	48	-1.0	-47.25	403.94	6.75	-40.50
CCOC1=C(Cl)C=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139305	1	48	-1.0	-47.21	403.99	6.78	-40.43
CCCOC1=C(Cl)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139306	0	47	-1.0	-42.74	392.56	6.05	-36.69
CCCOC1=C(Cl)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139306	1	47	-1.0	-42.71	392.61	6.08	-36.63
CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139307	0	46	-1.0	-56.83	389.26	1.51	-55.32
CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139307	1	46	-1.0	-56.83	389.32	1.53	-55.30
O=C(C=CC1=CC=C(Br)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139308	0	34	-1.0	-37.86	315.36	5.75	-32.11
O=C(C=CC1=CC=C(Br)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139308	1	34	-1.0	-37.84	315.42	5.78	-32.06
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139309	0	41	-1.0	-53.51	355.21	1.18	-52.33
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139309	1	41	-1.0	-53.50	355.27	1.21	-52.29
O=C(CCCC1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139310	0	39	-1.0	-48.49	327.83	6.13	-42.36
O=C(CCCC1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139310	1	39	-1.0	-48.48	327.89	6.16	-42.32
O=C(CN1C=CC(C(F)(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139311	0	36	-1.0	-57.75	316.15	3.81	-53.94
O=C(CN1C=CC(C(F)(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139311	1	36	-1.0	-57.74	316.09	3.79	-53.95
CC1=CC=C(C)N1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139312	0	47	-1.0	-44.70	378.49	8.48	-36.22
CC1=CC=C(C)N1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139312	1	47	-1.0	-44.72	378.55	8.51	-36.21
COC1=CC=CC=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139313	0	43	-1.0	-47.48	344.38	5.60	-41.88
COC1=CC=CC=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139313	1	43	-1.0	-47.49	344.44	5.63	-41.86
CCC1=CC=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020139314	0	50	-1.0	-48.97	391.04	7.07	-41.90
CCC1=CC=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020139314	1	50	-1.0	-48.98	391.09	7.10	-41.88
O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139315	0	50	-1.0	-52.55	407.56	9.67	-42.88
O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139315	1	50	-1.0	-52.57	407.62	9.69	-42.88
O=C(CSCC1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139316	0	37	-1.0	-49.35	329.36	5.96	-43.39
O=C(CSCC1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139316	1	37	-1.0	-49.36	329.42	5.98	-43.38
CC1=CC=CC(N2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2=O)=C1	REAL300020139317	0	47	-1.0	-44.59	379.47	6.21	-38.38
CC1=CC=CC(N2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2=O)=C1	REAL300020139317	1	47	-1.0	-44.62	379.52	6.24	-38.38
O=C(C=CC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139318	0	37	-1.0	-37.02	324.79	6.55	-30.47
O=C(C=CC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139318	1	37	-1.0	-37.04	324.85	6.58	-30.46
O=C(CCSC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139319	0	40	-1.0	-45.65	341.26	6.77	-38.88
O=C(CCSC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139319	1	40	-1.0	-45.67	341.32	6.80	-38.87
O=C(CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139320	0	49	-1.0	-56.00	399.14	4.63	-51.37
O=C(CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139320	1	49	-1.0	-55.99	399.20	4.66	-51.33
CC1=CC=C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139321	0	40	-1.0	-48.04	334.62	6.65	-41.39
CC1=CC=C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139321	1	40	-1.0	-48.03	334.68	6.67	-41.36
CC1=CC=C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020139322	0	43	-1.0	-47.70	353.09	7.19	-40.51
CC1=CC=C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020139322	1	43	-1.0	-47.71	353.15	7.22	-40.49
O=C(C1=CC2=C(CCCC2=O)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139323	0	42	-1.0	-53.11	338.60	2.99	-50.12
O=C(C1=CC2=C(CCCC2=O)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139323	1	42	-1.0	-53.14	338.66	3.02	-50.12
CC1=CC=C2C(=O)N(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C(=O)C2=C1	REAL300020139324	0	43	-1.0	-54.84	361.30	5.26	-49.58
CC1=CC=C2C(=O)N(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C(=O)C2=C1	REAL300020139324	1	43	-1.0	-54.81	361.36	5.29	-49.52
O=C(C1=C(N2C=NN=N2)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139325	0	35	-1.0	-47.62	312.06	3.94	-43.68
O=C(C1=C(N2C=NN=N2)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139325	1	35	-1.0	-47.57	312.00	3.91	-43.66
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139326	0	47	-1.0	-50.14	384.85	3.03	-47.11
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139326	1	47	-1.0	-50.14	384.90	3.06	-47.08
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)N(C)C	REAL300020139327	0	48	-1.0	-55.88	388.22	2.32	-53.56
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)N(C)C	REAL300020139327	1	48	-1.0	-55.93	388.28	2.34	-53.59
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139328	0	45	-1.0	-52.64	380.37	2.00	-50.64
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139328	1	45	-1.0	-52.63	380.43	2.02	-50.61
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139329	0	38	-1.0	-51.19	324.64	-0.60	-51.79
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139329	1	38	-1.0	-51.22	324.70	-0.57	-51.79
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139330	0	41	-1.0	-51.65	361.99	1.09	-50.56
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139330	1	41	-1.0	-51.63	362.05	1.11	-50.52
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020139331	0	44	-1.0	-52.35	369.01	2.67	-49.68
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020139331	1	44	-1.0	-52.37	369.07	2.70	-49.67
CC(C)(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139332	0	50	-1.0	-53.27	392.26	2.38	-50.89
CC(C)(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139332	1	50	-1.0	-53.27	392.32	2.41	-50.86
CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139333	0	44	-1.0	-52.93	367.57	1.45	-51.48
CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139333	1	44	-1.0	-52.89	367.62	1.47	-51.42
CC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139334	0	47	-1.0	-49.29	387.28	2.10	-47.19
CC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139334	1	47	-1.0	-49.30	387.33	2.12	-47.18
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139335	0	50	-1.0	-49.30	392.96	2.41	-46.89
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139335	1	50	-1.0	-49.36	393.01	2.44	-46.92
COC1=CC=C(S(=O)(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139336	0	46	-1.0	-51.29	384.84	2.58	-48.71
COC1=CC=C(S(=O)(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139336	1	46	-1.0	-51.28	384.90	2.61	-48.67
CC(OC1=CC=C(C#N)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139337	0	41	-1.0	-51.35	338.86	6.13	-45.22
CC(OC1=CC=C(C#N)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139337	1	41	-1.0	-51.36	338.91	6.16	-45.20
CCOC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1	REAL300020139338	0	44	-1.0	-44.68	375.38	6.69	-37.99
CCOC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020139338	1	44	-1.0	-44.66	375.44	6.72	-37.94
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C2CCCCC2=C1	REAL300020139339	0	51	-1.0	-45.13	399.05	8.58	-36.55
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCCC2=C1	REAL300020139339	1	51	-1.0	-45.10	399.10	8.60	-36.50
CN1C=NC2=C1C(=O)N(CC(=O)N1CCCC(C3=N[N-]N=N3)C1)C(=O)N2C	REAL300020139340	0	45	-1.0	-58.16	368.58	5.73	-52.43
CN1C=NC2=C1C(=O)N(CC(=O)N1CCCC(C3=NN=N[N-]3)C1)C(=O)N2C	REAL300020139340	1	45	-1.0	-58.16	368.64	5.76	-52.40
CC(OC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139341	0	40	-1.0	-49.28	324.50	5.80	-43.48
CC(OC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139341	1	40	-1.0	-49.27	324.56	5.82	-43.45
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C2CCCC2=C1	REAL300020139342	0	48	-1.0	-45.43	381.86	7.99	-37.44
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCC2=C1	REAL300020139342	1	48	-1.0	-45.42	381.92	8.02	-37.40
O=C(C1=CC2=NC=CN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139343	0	37	-1.0	-43.27	306.75	2.90	-40.37
O=C(C1=CC2=NC=CN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139343	1	37	-1.0	-43.22	306.69	2.88	-40.34
O=C(C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139344	0	47	-1.0	-50.99	380.79	0.98	-50.01
O=C(C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139344	1	47	-1.0	-50.95	380.84	1.00	-49.95
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139345	0	40	-1.0	-37.32	342.20	6.93	-30.39
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139345	1	40	-1.0	-37.40	342.25	6.96	-30.44
CCC1(CC)NC(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020139346	0	47	-1.0	-53.84	371.83	3.25	-50.59
CCC1(CC)NC(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020139346	1	47	-1.0	-53.81	371.89	3.27	-50.54
CCOC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1O	REAL300020139347	0	41	-1.0	-43.40	348.64	3.05	-40.35
CCOC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1O	REAL300020139347	1	41	-1.0	-43.43	348.69	3.08	-40.35
CCOC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1[O-]	REAL300020139347	1	40	-2.0	-87.23	345.07	3.97	-83.26
CCOC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1[O-]	REAL300020139347	1	40	-2.0	-87.25	345.13	4.00	-83.25
CC1=CC=C(C)C(N2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2=O)=C1	REAL300020139348	0	50	-1.0	-43.48	397.48	7.22	-36.26
CC1=CC=C(C)C(N2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2=O)=C1	REAL300020139348	1	50	-1.0	-43.48	397.54	7.24	-36.24
CCN1C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN=C1C1=CC=CO1	REAL300020139349	0	46	-1.0	-48.89	393.56	6.96	-41.93
CCN1C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=CO1	REAL300020139349	1	46	-1.0	-48.89	393.62	6.99	-41.90
CSCCC(NC(=O)C1=CC=CO1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139350	0	47	-1.0	-45.66	391.15	3.75	-41.91
CSCCC(NC(=O)C1=CC=CO1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139350	1	47	-1.0	-45.63	391.20	3.77	-41.86
O=C(CSCC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCOCC1	REAL300020139351	0	45	-1.0	-59.28	367.52	3.02	-56.26
O=C(CSCC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCOCC1	REAL300020139351	1	45	-1.0	-59.31	367.58	3.05	-56.26
O=C(CCNS(=O)(=O)C1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139352	0	44	-1.0	-51.32	387.58	2.33	-48.99
O=C(CCNS(=O)(=O)C1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139352	1	44	-1.0	-51.34	387.64	2.35	-48.99
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139353	0	52	-1.0	-49.57	394.27	8.05	-41.52
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139353	1	52	-1.0	-49.60	394.32	8.08	-41.52
O=C(NCC1=CC=CC=C1)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020139354	0	55	-1.0	-57.87	422.39	5.43	-52.44
O=C(NCC1=CC=CC=C1)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020139354	1	55	-1.0	-57.91	422.45	5.45	-52.46
CC1=NN=C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)N1CC1=CC=CC=C1	REAL300020139355	0	49	-1.0	-49.82	409.96	8.74	-41.08
CC1=NN=C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)N1CC1=CC=CC=C1	REAL300020139355	1	49	-1.0	-49.83	410.02	8.76	-41.07
CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139356	0	45	-1.0	-47.38	375.77	4.54	-42.84
CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139356	1	45	-1.0	-47.41	375.83	4.56	-42.85
CC1=CC=CC(C(=O)NC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139357	0	46	-1.0	-44.99	368.47	4.50	-40.49
CC1=CC=CC(C(=O)NC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139357	1	46	-1.0	-45.05	368.53	4.53	-40.52
CC(OC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139358	0	40	-1.0	-48.80	339.39	6.35	-42.45
CC(OC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139358	1	40	-1.0	-48.76	339.44	6.38	-42.38
O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139359	0	57	-1.0	-43.26	408.62	5.81	-37.45
O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139359	1	57	-1.0	-43.28	408.68	5.83	-37.45
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139360	0	50	-1.0	-48.00	409.67	8.23	-39.77
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139360	1	50	-1.0	-47.98	409.72	8.26	-39.72
CC1=CC=C(C)C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139361	0	46	-1.0	-46.58	366.05	6.50	-40.08
CC1=CC=C(C)C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139361	1	46	-1.0	-46.60	366.11	6.53	-40.07
COC1=CC=C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139362	0	44	-1.0	-46.50	354.03	4.35	-42.15
COC1=CC=C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139362	1	44	-1.0	-46.55	354.09	4.38	-42.17
CC1=CC=CC=C1OCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139363	0	43	-1.0	-46.38	344.61	5.82	-40.56
CC1=CC=CC=C1OCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139363	1	43	-1.0	-46.34	344.67	5.84	-40.50
O=C(COC1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139364	0	37	-1.0	-55.39	309.81	5.41	-49.98
O=C(COC1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139364	1	37	-1.0	-55.38	309.87	5.43	-49.95
O=C(COC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139365	0	37	-1.0	-49.35	324.92	5.99	-43.36
O=C(COC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139365	1	37	-1.0	-49.40	324.98	6.01	-43.39
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139366	0	47	-1.0	-51.38	377.79	8.77	-42.61
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139366	1	47	-1.0	-51.37	377.84	8.80	-42.57
CCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139367	0	44	-1.0	-49.46	368.11	1.47	-47.99
CCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139367	1	44	-1.0	-49.51	368.16	1.49	-48.02
C=CCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139368	0	45	-1.0	-49.24	380.91	2.01	-47.23
C=CCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139368	1	45	-1.0	-49.27	380.97	2.04	-47.23
O=C(CC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139369	0	42	-1.0	-49.47	340.82	7.71	-41.76
O=C(CC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139369	1	42	-1.0	-49.48	340.87	7.73	-41.75
CSC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139370	0	45	-1.0	-45.21	375.22	7.06	-38.15
CSC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139370	1	45	-1.0	-45.21	375.28	7.09	-38.12
O=C(C=CC1=CC=C(F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139371	0	37	-1.0	-45.96	326.04	6.50	-39.46
O=C(C=CC1=CC=C(F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139371	1	37	-1.0	-45.96	326.10	6.52	-39.44
O=C(C=CC1=CC=C(Br)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139372	0	37	-1.0	-45.37	339.55	7.01	-38.36
O=C(C=CC1=CC=C(Br)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139372	1	37	-1.0	-45.38	339.61	7.03	-38.35
CC(OC1=CC=CC(Cl)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139373	0	40	-1.0	-47.72	333.85	6.20	-41.52
CC(OC1=CC=CC(Cl)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139373	1	40	-1.0	-47.72	333.91	6.22	-41.50
O=C(C=CC1=CC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139374	0	37	-1.0	-49.44	321.78	6.45	-42.99
O=C(C=CC1=CC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139374	1	37	-1.0	-49.43	321.84	6.47	-42.96
N#CC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139375	0	38	-1.0	-39.19	324.25	6.33	-32.86
N#CC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139375	1	38	-1.0	-39.20	324.31	6.35	-32.85
O=C(C=CC1=C(Cl)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139376	0	37	-1.0	-46.90	334.31	6.85	-40.05
O=C(C=CC1=C(Cl)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139376	1	37	-1.0	-46.91	334.37	6.87	-40.04
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C(C)C	REAL300020139377	0	46	-1.0	-48.36	346.19	6.22	-42.14
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C(C)C	REAL300020139377	1	46	-1.0	-48.34	346.25	6.24	-42.10
NC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020139378	0	42	-1.0	-55.25	323.37	1.15	-54.10
NC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020139378	1	42	-1.0	-55.26	323.42	1.17	-54.09
CCOC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020139379	0	47	-1.0	-52.23	365.44	4.48	-47.75
CCOC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020139379	1	47	-1.0	-52.25	365.50	4.51	-47.74
O=C(COC1=CC=C(Br)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139380	0	37	-1.0	-53.60	331.10	6.03	-47.57
O=C(COC1=CC=C(Br)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139380	1	37	-1.0	-53.62	331.16	6.06	-47.56
CC(C)C1=CC=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139381	0	46	-1.0	-50.49	362.20	7.32	-43.17
CC(C)C1=CC=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139381	1	46	-1.0	-50.49	362.26	7.34	-43.15
CCCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020139382	0	53	-1.0	-47.09	415.26	7.05	-40.04
CCCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020139382	1	53	-1.0	-47.08	415.31	7.08	-40.00
CCCCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020139383	0	57	-1.0	-49.38	448.80	8.57	-40.81
CCCCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020139383	1	57	-1.0	-49.44	448.85	8.60	-40.84
O=C(C=CC1=NC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139384	0	39	-1.0	-46.43	338.43	5.65	-40.78
O=C(C=CC1=NC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139384	1	39	-1.0	-46.46	338.49	5.68	-40.78
O=C(C=CC1=NC2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139385	0	42	-1.0	-47.71	347.28	6.55	-41.16
O=C(C=CC1=NC2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139385	1	42	-1.0	-47.71	347.34	6.58	-41.13
CC1=CC=CC(C)=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139386	0	43	-1.0	-48.87	345.35	6.81	-42.06
CC1=CC=CC(C)=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139386	1	43	-1.0	-48.90	345.41	6.84	-42.06
CCC(C)C1=CC=CC=C1N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020139387	0	56	-1.0	-56.95	427.73	8.81	-48.14
CCC(C)C1=CC=CC=C1N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020139387	1	56	-1.0	-56.99	427.79	8.84	-48.15
O=C(CCNC(=O)C1=CC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139388	0	40	-1.0	-55.37	335.38	1.89	-53.48
O=C(CCNC(=O)C1=CC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139388	1	40	-1.0	-55.43	335.43	1.92	-53.51
O=C(CC1=CC=CC2=CC=CC=C21)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139389	0	49	-1.0	-47.34	396.32	6.01	-41.33
O=C(CC1=CC=CC2=CC=CC=C21)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139389	1	49	-1.0	-47.39	396.37	6.04	-41.35
O=C(CCNS(=O)(=O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139390	0	44	-1.0	-52.79	370.84	1.81	-50.98
O=C(CCNS(=O)(=O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139390	1	44	-1.0	-52.83	370.90	1.83	-51.00
COC1=CC=C(C=CC(=O)NC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139391	0	51	-1.0	-43.12	411.03	4.33	-38.79
COC1=CC=C(C=CC(=O)NC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139391	1	51	-1.0	-43.16	411.09	4.35	-38.81
O=C(COC1=C(Cl)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139392	0	37	-1.0	-50.19	339.59	6.56	-43.63
O=C(COC1=C(Cl)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139392	1	37	-1.0	-50.19	339.64	6.58	-43.61
N#CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139393	0	38	-1.0	-52.24	324.44	5.77	-46.47
N#CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139393	1	38	-1.0	-52.21	324.49	5.80	-46.41
CCCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139394	0	51	-1.0	-49.63	405.44	6.87	-42.76
CCCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139394	1	51	-1.0	-49.62	405.50	6.90	-42.72
O=C(CCC1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139395	0	39	-1.0	-45.97	328.68	6.61	-39.36
O=C(CCC1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139395	1	39	-1.0	-45.98	328.74	6.64	-39.34
O=C(CCC1=CC=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139396	0	39	-1.0	-45.55	337.40	6.87	-38.68
O=C(CCC1=CC=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139396	1	39	-1.0	-45.50	337.46	6.90	-38.60
COC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OC	REAL300020139397	0	45	-1.0	-47.28	382.08	5.80	-41.48
COC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OC	REAL300020139397	1	45	-1.0	-47.29	382.14	5.82	-41.47
O=C(C1=CC=C(C2SCCS2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139398	0	42	-1.0	-46.54	356.76	7.40	-39.14
O=C(C1=CC=C(C2SCCS2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139398	1	42	-1.0	-46.58	356.82	7.43	-39.15
CS(=O)(=O)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139399	0	42	-1.0	-56.73	355.52	2.66	-54.07
CS(=O)(=O)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139399	1	42	-1.0	-56.73	355.58	2.68	-54.05
O=C(C1=CC=CC(N2C=NN=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139400	0	38	-1.0	-60.30	317.60	4.60	-55.70
O=C(C1=CC=CC(N2C=NN=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139400	1	38	-1.0	-60.30	317.54	4.58	-55.72
CCN1C(=O)C(=O)NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020139401	0	45	-1.0	-53.35	363.42	3.98	-49.37
CCN1C(=O)C(=O)NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020139401	1	45	-1.0	-53.31	363.48	4.01	-49.30
CCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020139402	0	51	-1.0	-49.81	405.80	6.99	-42.82
CCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020139402	1	51	-1.0	-49.79	405.85	7.02	-42.77
COC1=CC(C=O)=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139403	0	43	-1.0	-60.34	355.98	4.84	-55.50
COC1=CC(C=O)=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139403	1	43	-1.0	-60.35	356.04	4.86	-55.49
CC(C)N(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139404	0	50	-1.0	-53.11	403.07	3.84	-49.27
CC(C)N(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139404	1	50	-1.0	-53.10	403.13	3.87	-49.23
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139405	0	47	-1.0	-52.98	386.74	2.08	-50.90
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139405	1	47	-1.0	-52.96	386.80	2.11	-50.85
CC1=NOC(C)=C1COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139406	0	52	-1.0	-52.10	423.22	7.49	-44.61
CC1=NOC(C)=C1COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139406	1	52	-1.0	-52.09	423.27	7.52	-44.57
O=C(CSCC1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139407	0	40	-1.0	-49.81	355.86	7.38	-42.43
O=C(CSCC1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139407	1	40	-1.0	-49.85	355.92	7.40	-42.45
O=C(CSCC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139408	0	40	-1.0	-49.42	355.82	7.37	-42.05
O=C(CSCC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139408	1	40	-1.0	-49.44	355.88	7.40	-42.04
O=C(C1=CC=C(CSC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139409	0	47	-1.0	-46.88	392.09	9.35	-37.53
O=C(C1=CC=C(CSC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139409	1	47	-1.0	-46.86	392.15	9.37	-37.49
COC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OCC(C)C	REAL300020139410	0	54	-1.0	-49.51	425.55	7.55	-41.96
COC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OCC(C)C	REAL300020139410	1	54	-1.0	-49.53	425.60	7.58	-41.95
CC1=CC(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020139411	0	44	-1.0	-44.69	366.53	6.67	-38.02
CC1=CC(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020139411	1	44	-1.0	-44.72	366.59	6.69	-38.03
O=C(CCCN1C(=O)OC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139412	0	45	-1.0	-58.39	370.69	6.54	-51.85
O=C(CCCN1C(=O)OC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139412	1	45	-1.0	-58.44	370.75	6.57	-51.87
O=C(CN1C(=O)OC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139413	0	39	-1.0	-56.85	328.13	5.28	-51.57
O=C(CN1C(=O)OC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139413	1	39	-1.0	-56.87	328.18	5.31	-51.56
O=C(COC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139414	0	37	-1.0	-49.95	310.03	5.43	-44.52
O=C(COC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139414	1	37	-1.0	-49.98	310.09	5.46	-44.52
O=C(C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139415	0	44	-1.0	-44.84	358.38	5.74	-39.10
O=C(C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139415	1	44	-1.0	-44.88	358.44	5.77	-39.11
O=C(CCCN1C(=O)C2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139416	0	46	-1.0	-56.21	382.41	5.83	-50.38
O=C(CCCN1C(=O)C2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139416	1	46	-1.0	-56.23	382.47	5.86	-50.37
COC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020139417	0	46	-1.0	-50.04	384.43	3.97	-46.07
COC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020139417	1	46	-1.0	-50.01	384.49	3.99	-46.02
O=C(CNC(=O)C1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139418	0	40	-1.0	-43.85	350.34	3.84	-40.01
O=C(CNC(=O)C1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139418	1	40	-1.0	-43.83	350.39	3.87	-39.96
O=C(CNC(=O)C1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139419	0	40	-1.0	-44.73	345.78	3.73	-41.00
O=C(CNC(=O)C1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139419	1	40	-1.0	-44.73	345.84	3.75	-40.98
CC(SC1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139420	0	40	-1.0	-45.76	350.27	7.00	-38.76
CC(SC1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139420	1	40	-1.0	-45.75	350.33	7.03	-38.72
O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139421	0	45	-1.0	-53.17	359.96	2.55	-50.62
O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139421	1	45	-1.0	-53.16	360.01	2.57	-50.59
O=C(CSC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139422	0	37	-1.0	-47.56	319.63	6.04	-41.52
O=C(CSC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139422	1	37	-1.0	-47.57	319.69	6.06	-41.51
O=C(C1=CC=C([N+](=O)[O-])S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139423	0	32	-1.0	-39.03	289.98	4.24	-34.79
O=C(C1=CC=C([N+](=O)[O-])S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139423	1	32	-1.0	-38.98	290.04	4.27	-34.71
O=C(C1COC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139424	0	39	-1.0	-48.39	314.16	4.70	-43.69
O=C(C1COC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139424	1	39	-1.0	-48.39	314.22	4.72	-43.67
O=C(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139425	0	42	-1.0	-48.05	357.25	3.89	-44.16
O=C(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139425	1	42	-1.0	-48.11	357.30	3.91	-44.20
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139426	0	44	-1.0	-49.24	365.20	2.48	-46.76
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139426	1	44	-1.0	-49.26	365.26	2.50	-46.76
CCOC1=CC=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139427	0	44	-1.0	-55.00	354.69	6.02	-48.98
CCOC1=CC=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139427	1	44	-1.0	-54.99	354.75	6.05	-48.94
CCC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139428	0	43	-1.0	-50.08	346.51	6.80	-43.28
CCC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139428	1	43	-1.0	-50.06	346.56	6.83	-43.23
CC1=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020139429	0	40	-1.0	-49.58	339.03	6.45	-43.13
CC1=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020139429	1	40	-1.0	-49.62	339.09	6.48	-43.14
N#CC1=CC=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139430	0	38	-1.0	-60.27	323.81	5.76	-54.51
N#CC1=CC=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139430	1	38	-1.0	-60.27	323.87	5.78	-54.49
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1NC(=O)C1=CC=CO1	REAL300020139431	0	47	-1.0	-59.57	381.84	5.27	-54.30
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1NC(=O)C1=CC=CO1	REAL300020139431	1	47	-1.0	-59.56	381.90	5.29	-54.27
COC1=CC=CC2=C1OC(=O)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020139432	0	42	-1.0	-52.65	346.97	5.54	-47.11
COC1=CC=CC2=C1OC(=O)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020139432	1	42	-1.0	-52.59	347.03	5.57	-47.02
CNS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139433	0	41	-1.0	-53.31	346.53	0.59	-52.72
CNS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139433	1	41	-1.0	-53.34	346.58	0.62	-52.72
CC1=CC=C(C)C(S(=O)(=O)NCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139434	0	50	-1.0	-53.70	406.97	3.38	-50.32
CC1=CC=C(C)C(S(=O)(=O)NCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139434	1	50	-1.0	-53.69	407.02	3.40	-50.29
CC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(C3=CC=CC=C3)N=C2C=C1	REAL300020139435	0	51	-1.0	-46.91	407.06	9.11	-37.80
CC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(C3=CC=CC=C3)N=C2C=C1	REAL300020139435	1	51	-1.0	-46.94	407.01	9.09	-37.85
NC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139436	0	45	-1.0	-56.56	355.63	2.60	-53.96
NC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139436	1	45	-1.0	-56.51	355.69	2.62	-53.89
O=C(COC1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139437	0	37	-1.0	-51.44	320.32	5.87	-45.57
O=C(COC1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139437	1	37	-1.0	-51.43	320.38	5.89	-45.54
C=CCC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020139438	0	48	-1.0	-54.23	388.53	7.09	-47.14
C=CCC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020139438	1	48	-1.0	-54.23	388.59	7.12	-47.11
O=C(CCC1NC(=O)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139439	0	38	-1.0	-55.46	314.04	-1.29	-56.75
O=C(CCC1NC(=O)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139439	1	38	-1.0	-55.50	314.10	-1.26	-56.76
CC(SCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=NC2=CC=CC=C2N1	REAL300020139440	0	46	-1.0	-51.51	381.18	6.21	-45.30
CC(SCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=NC2=CC=CC=C2N1	REAL300020139440	1	46	-1.0	-51.55	381.23	6.24	-45.31
N#CCCN1C=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020139441	0	48	-1.0	-44.10	401.17	9.12	-34.98
N#CCCN1C=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020139441	1	48	-1.0	-44.13	401.23	9.15	-34.98
CS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139442	0	39	-1.0	-55.11	343.30	2.42	-52.69
CS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139442	1	39	-1.0	-55.11	343.35	2.44	-52.67
CC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020139443	0	43	-1.0	-52.29	330.22	3.67	-48.62
CC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020139443	1	43	-1.0	-52.29	330.28	3.70	-48.59
COC1=CC(OC)=C(OC)C=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139444	0	49	-1.0	-42.17	389.75	4.51	-37.66
COC1=CC(OC)=C(OC)C=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139444	1	49	-1.0	-42.21	389.81	4.54	-37.67
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139445	0	47	-1.0	-48.16	385.67	2.09	-46.07
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139445	1	47	-1.0	-48.13	385.73	2.11	-46.02
O=C(C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139446	0	50	-1.0	-57.35	392.92	7.70	-49.65
O=C(C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139446	1	50	-1.0	-57.32	392.98	7.72	-49.60
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=O)C2CCCCC2C1=O	REAL300020139447	0	49	-1.0	-51.62	373.59	6.14	-45.48
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=O)C2CCCCC2C1=O	REAL300020139447	1	49	-1.0	-51.60	373.65	6.16	-45.44
CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139448	0	40	-1.0	-50.38	325.02	6.04	-44.34
CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139448	1	40	-1.0	-50.40	325.08	6.06	-44.34
O=C(CSC1=NC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139449	0	39	-1.0	-46.79	348.44	5.65	-41.14
O=C(CSC1=NC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139449	1	39	-1.0	-46.81	348.38	5.62	-41.19
O=C(NC1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020139450	0	52	-1.0	-55.87	400.43	6.28	-49.59
O=C(NC1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020139450	1	52	-1.0	-55.85	400.49	6.31	-49.54
CC1=C(C(C)C)C=C2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=COC2=C1	REAL300020139451	0	51	-1.0	-51.38	400.10	8.25	-43.13
CC1=C(C(C)C)C=C2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=COC2=C1	REAL300020139451	1	51	-1.0	-51.35	400.16	8.28	-43.07
CC1=CC=C2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=COC2=C1	REAL300020139452	0	42	-1.0	-51.34	343.96	6.47	-44.87
CC1=CC=C2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=COC2=C1	REAL300020139452	1	42	-1.0	-51.32	344.01	6.50	-44.82
CCC1=CC=C2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=COC2=C1	REAL300020139453	0	45	-1.0	-50.99	365.45	7.24	-43.75
CCC1=CC=C2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=COC2=C1	REAL300020139453	1	45	-1.0	-51.02	365.51	7.26	-43.76
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139454	0	45	-1.0	-53.13	364.02	7.92	-45.21
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139454	1	45	-1.0	-53.14	364.08	7.94	-45.20
O=C(CC1=COC2=CC3=C(C=C12)CCC3)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139455	0	46	-1.0	-51.92	368.10	7.70	-44.22
O=C(CC1=COC2=CC3=C(C=C12)CCC3)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139455	1	46	-1.0	-51.88	368.16	7.73	-44.15
O=C(COC1=CC=C(F)C=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139456	0	37	-1.0	-52.19	330.41	6.06	-46.13
O=C(COC1=CC=C(F)C=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139456	1	37	-1.0	-52.22	330.47	6.08	-46.14
CC(=O)C1=CC=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139457	0	42	-1.0	-60.09	344.88	5.77	-54.32
CC(=O)C1=CC=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139457	1	42	-1.0	-60.09	344.94	5.80	-54.29
CSC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139458	0	37	-1.0	-40.71	308.64	5.39	-35.32
CSC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139458	1	37	-1.0	-40.73	308.70	5.42	-35.31
O=C(CSC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139459	0	37	-1.0	-47.02	334.52	6.59	-40.43
O=C(CSC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139459	1	37	-1.0	-47.04	334.58	6.62	-40.42
O=C(COC1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139460	0	39	-1.0	-52.50	331.82	6.03	-46.47
O=C(COC1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139460	1	39	-1.0	-52.54	331.88	6.06	-46.48
O=C(CNC(=O)C1=CC=CC=C1OC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139461	0	44	-1.0	-48.19	366.10	4.03	-44.16
O=C(CNC(=O)C1=CC=CC=C1OC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139461	1	44	-1.0	-48.16	366.15	4.06	-44.10
CC(NC(=O)NC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139462	0	45	-1.0	-45.49	361.84	3.08	-42.41
CC(NC(=O)NC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139462	1	45	-1.0	-45.48	361.89	3.11	-42.37
CC1=CC=C2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=COC2=C1C	REAL300020139463	0	45	-1.0	-51.84	361.62	7.02	-44.82
CC1=CC=C2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=COC2=C1C	REAL300020139463	1	45	-1.0	-51.84	361.67	7.05	-44.79
O=C(C=CC1=CC=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139464	0	43	-1.0	-50.05	347.94	5.08	-44.97
O=C(C=CC1=CC=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139464	1	43	-1.0	-50.06	348.00	5.11	-44.95
O=C(CCNC1=NS(=O)(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139465	0	45	-1.0	-69.20	380.86	1.75	-67.45
O=C(CCNC1=NS(=O)(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139465	1	45	-1.0	-69.22	380.92	1.78	-67.44
CCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139466	0	48	-1.0	-49.97	383.94	6.07	-43.90
CCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139466	1	48	-1.0	-49.96	384.00	6.10	-43.86
CCOC1=C(Cl)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139467	0	44	-1.0	-42.98	371.06	5.25	-37.73
CCOC1=C(Cl)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139467	1	44	-1.0	-43.00	371.11	5.28	-37.72
CCOC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OC	REAL300020139468	0	48	-1.0	-47.07	403.93	6.72	-40.35
CCOC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OC	REAL300020139468	1	48	-1.0	-47.04	403.99	6.74	-40.30
CSC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020139469	0	39	-1.0	-51.74	333.52	5.94	-45.80
CSC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020139469	1	39	-1.0	-51.74	333.58	5.96	-45.78
O=C(C1=CC=CC2=CC=CN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139470	0	38	-1.0	-45.91	310.82	5.05	-40.86
O=C(C1=CC=CC2=CC=CN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139470	1	38	-1.0	-45.90	310.77	5.03	-40.87
CC1=CN2C(=O)C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C2C=C1	REAL300020139471	0	41	-1.0	-51.00	334.62	5.06	-45.94
CC1=CN2C(=O)C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C2C=C1	REAL300020139471	1	41	-1.0	-51.02	334.57	5.03	-45.99
CC(OC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139472	0	40	-1.0	-38.29	317.85	5.72	-32.57
CC(OC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139472	1	40	-1.0	-38.27	317.91	5.74	-32.53
COC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139473	0	40	-1.0	-49.61	324.17	4.73	-44.88
COC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139473	1	40	-1.0	-49.59	324.23	4.76	-44.83
CC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020139474	0	40	-1.0	-45.33	342.99	3.01	-42.32
CC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020139474	1	40	-1.0	-45.30	343.05	3.04	-42.26
O=C(COC1=CC=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139475	0	38	-1.0	-53.34	314.35	3.03	-50.31
O=C(COC1=CC=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139475	1	38	-1.0	-53.33	314.41	3.06	-50.27
O=C(C1=CC=C(C2=CC=CC=C2F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139476	0	40	-1.0	-45.42	339.00	6.53	-38.89
O=C(C1=CC=C(C2=CC=CC=C2F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139476	1	40	-1.0	-45.41	339.06	6.56	-38.85
O=C(C1=CN=CN1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139477	0	40	-1.0	-46.75	327.75	6.82	-39.93
O=C(C1=CN=CN1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139477	1	40	-1.0	-46.79	327.70	6.79	-40.00
CC1(C)NC(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020139478	0	41	-1.0	-53.66	337.00	1.32	-52.34
CC1(C)NC(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020139478	1	41	-1.0	-53.68	337.06	1.34	-52.34
COC1=CC=C(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139479	0	47	-1.0	-51.55	375.56	5.13	-46.42
COC1=CC=C(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139479	1	47	-1.0	-51.59	375.62	5.16	-46.43
CC(C)(C)C1=CC=C(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139480	0	55	-1.0	-50.07	422.24	8.17	-41.90
CC(C)(C)C1=CC=C(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139480	1	55	-1.0	-50.07	422.29	8.19	-41.88
CC1=CC=C(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139481	0	46	-1.0	-50.50	367.44	6.51	-43.99
CC1=CC=C(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139481	1	46	-1.0	-50.50	367.50	6.53	-43.97
CC1=CC=CC(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139482	0	46	-1.0	-50.77	367.44	6.51	-44.26
CC1=CC=CC(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139482	1	46	-1.0	-50.75	367.50	6.53	-44.22
CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139483	0	55	-1.0	-43.27	412.92	6.38	-36.89
CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139483	1	55	-1.0	-43.28	412.98	6.40	-36.88
CC(NC(=O)C1=CC=CO1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139484	0	40	-1.0	-42.39	331.37	1.86	-40.53
CC(NC(=O)C1=CC=CO1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139484	1	40	-1.0	-42.38	331.43	1.89	-40.49
O=C(C1=NN(C2=CC=CC=C2)C(=O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139485	0	44	-1.0	-44.47	357.90	5.55	-38.92
O=C(C1=NN(C2=CC=CC=C2)C(=O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139485	1	44	-1.0	-44.68	358.29	5.58	-39.10
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139486	0	50	-1.0	-52.94	406.66	4.14	-48.80
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139486	1	50	-1.0	-52.95	406.72	4.16	-48.79
O=C(COC1=CC=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139487	0	37	-1.0	-51.49	324.88	5.97	-45.52
O=C(COC1=CC=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139487	1	37	-1.0	-51.51	324.94	6.00	-45.51
O=C(CC12CC3CC(CC(C3)C1)C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139488	0	50	-1.0	-46.00	349.67	7.36	-38.64
O=C(CC12CC3CC(CC(C3)C1)C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139488	1	50	-1.0	-46.00	349.73	7.39	-38.61
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139489	0	45	-1.0	-52.45	355.74	4.90	-47.55
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139489	1	45	-1.0	-52.45	355.80	4.93	-47.52
O=C(CC1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139490	0	36	-1.0	-47.67	308.52	5.86	-41.81
O=C(CC1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139490	1	36	-1.0	-47.68	308.58	5.88	-41.80
CCC1=CC=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139491	0	43	-1.0	-50.64	346.51	6.80	-43.84
CCC1=CC=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139491	1	43	-1.0	-50.61	346.56	6.83	-43.78
O=C(CC1=CC=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139492	0	42	-1.0	-51.56	339.18	4.59	-46.97
O=C(CC1=CC=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139492	1	42	-1.0	-51.57	339.24	4.62	-46.95
O=C(C=CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139493	0	51	-1.0	-40.77	414.68	9.22	-31.55
O=C(C=CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139493	1	51	-1.0	-40.75	414.74	9.25	-31.50
CC1=CC=C(C)C(S(=O)(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139494	0	47	-1.0	-50.32	384.89	2.67	-47.65
CC1=CC=C(C)C(S(=O)(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139494	1	47	-1.0	-50.35	384.94	2.70	-47.65
CC(C)C(NC(=O)C1=CC=CC=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139495	0	49	-1.0	-44.53	390.49	5.84	-38.69
CC(C)C(NC(=O)C1=CC=CC=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139495	1	49	-1.0	-44.54	390.55	5.86	-38.68
CC1=CC(C)=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020139496	0	46	-1.0	-48.74	366.83	7.49	-41.25
CC1=CC(C)=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020139496	1	46	-1.0	-48.74	366.89	7.51	-41.23
O=C(CNS(=O)(=O)C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139497	0	41	-1.0	-50.91	365.49	1.62	-49.29
O=C(CNS(=O)(=O)C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139497	1	41	-1.0	-50.91	365.55	1.64	-49.27
COC1=CC=CC=C1C(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139498	0	44	-1.0	-48.39	356.34	3.76	-44.63
COC1=CC=CC=C1C(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139498	1	44	-1.0	-48.39	356.39	3.79	-44.60
O=C(CNS(=O)(=O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139499	0	41	-1.0	-52.08	348.80	1.11	-50.97
O=C(CNS(=O)(=O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139499	1	41	-1.0	-52.13	348.85	1.14	-50.99
O=C(CC1=CC=CC=C1)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139500	0	43	-1.0	-45.69	353.66	3.90	-41.79
O=C(CC1=CC=CC=C1)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139500	1	43	-1.0	-45.69	353.72	3.93	-41.76
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139501	0	43	-1.0	-56.07	367.90	4.41	-51.66
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139501	1	43	-1.0	-56.06	367.96	4.44	-51.62
O=C(CCNS(=O)(=O)C=CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139502	0	48	-1.0	-53.86	402.72	2.97	-50.89
O=C(CCNS(=O)(=O)C=CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139502	1	48	-1.0	-53.87	402.78	3.00	-50.87
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139503	0	44	-1.0	-48.82	382.12	2.09	-46.73
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139503	1	44	-1.0	-48.79	382.18	2.11	-46.68
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139504	0	48	-1.0	-50.73	394.88	0.87	-49.86
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139504	1	48	-1.0	-50.77	394.93	0.89	-49.88
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139505	0	47	-1.0	-39.26	386.75	2.24	-37.02
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139505	1	47	-1.0	-39.26	386.81	2.27	-36.99
CC1=CC=C(CN2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020139506	0	50	-1.0	-48.80	396.59	6.83	-41.97
CC1=CC=C(CN2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020139506	1	50	-1.0	-48.81	396.65	6.86	-41.95
CCOC1=CC=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020139507	0	51	-1.0	-49.46	399.51	5.85	-43.61
CCOC1=CC=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020139507	1	51	-1.0	-49.51	399.57	5.87	-43.64
O=C(C1=CC=C(OCC2CCCO2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139508	0	48	-1.0	-47.45	378.76	5.05	-42.40
O=C(C1=CC=C(OCC2CCCO2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139508	1	48	-1.0	-47.49	378.81	5.08	-42.41
COC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139509	0	43	-1.0	-41.40	358.25	6.59	-34.81
COC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139509	1	43	-1.0	-41.40	358.30	6.62	-34.78
CC1=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C(C)C	REAL300020139510	0	49	-1.0	-50.26	381.22	7.80	-42.46
CC1=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C(C)C	REAL300020139510	1	49	-1.0	-50.29	381.28	7.83	-42.46
O=C(COC1=CC=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139511	0	43	-1.0	-52.68	348.62	7.65	-45.03
O=C(COC1=CC=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139511	1	43	-1.0	-52.68	348.68	7.68	-45.00
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020139512	0	48	-1.0	-46.54	393.19	7.43	-39.11
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020139512	1	48	-1.0	-46.54	393.14	7.41	-39.13
CS(=O)(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139513	0	41	-1.0	-50.05	343.31	1.16	-48.89
CS(=O)(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139513	1	41	-1.0	-50.09	343.37	1.18	-48.91
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020139514	0	41	-1.0	-45.26	336.30	6.07	-39.19
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020139514	1	41	-1.0	-45.26	336.36	6.09	-39.17
O=C(CN1C(=O)C2=CC=CC([N+](=O)[O-])=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139515	0	42	-1.0	-61.30	363.04	6.14	-55.16
O=C(CN1C(=O)C2=CC=CC([N+](=O)[O-])=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139515	1	42	-1.0	-61.31	363.09	6.16	-55.15
O=C(CCN1C(=O)C2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139516	0	43	-1.0	-51.48	360.92	5.04	-46.44
O=C(CCN1C(=O)C2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139516	1	43	-1.0	-51.51	360.98	5.06	-46.45
CC1=CC=CC(C(=O)NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)C)=C1	REAL300020139517	0	52	-1.0	-44.02	399.35	5.99	-38.03
CC1=CC=CC(C(=O)NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)C)=C1	REAL300020139517	1	52	-1.0	-43.97	399.41	6.02	-37.95
CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139518	0	40	-1.0	-45.89	321.79	4.68	-41.21
CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139518	1	40	-1.0	-45.92	321.85	4.71	-41.21
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=C1OC	REAL300020139519	0	45	-1.0	-40.11	360.24	4.42	-35.69
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=C1OC	REAL300020139519	1	45	-1.0	-40.09	360.29	4.45	-35.64
CC(C)CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139520	0	49	-1.0	-45.28	382.35	6.78	-38.50
CC(C)CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139520	1	49	-1.0	-45.34	382.41	6.81	-38.53
CCCCCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139521	0	52	-1.0	-45.40	407.78	7.82	-37.58
CCCCCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139521	1	52	-1.0	-45.38	407.84	7.85	-37.53
CC(C)OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139522	0	43	-1.0	-45.83	337.97	5.27	-40.56
CC(C)OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139522	1	43	-1.0	-45.80	338.03	5.30	-40.50
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OCC(C)C	REAL300020139523	0	50	-1.0	-46.96	392.55	6.05	-40.91
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OCC(C)C	REAL300020139523	1	50	-1.0	-47.01	392.60	6.08	-40.93
CCC(C)C(NC(=O)C1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139524	0	52	-1.0	-43.30	392.48	5.95	-37.35
CCC(C)C(NC(=O)C1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139524	1	52	-1.0	-43.31	392.54	5.97	-37.34
O=C(C1=CC=CC=C1)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139525	0	45	-1.0	-48.84	364.36	7.60	-41.24
O=C(C1=CC=CC=C1)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139525	1	45	-1.0	-48.83	364.42	7.63	-41.20
O=C(C1=CC=C(Br)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139526	0	30	-1.0	-36.33	281.86	4.18	-32.15
O=C(C1=CC=C(Br)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139526	1	30	-1.0	-36.33	281.92	4.20	-32.13
O=C(C1=CC=C(N2C(=O)CCC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139527	0	43	-1.0	-54.18	357.03	5.04	-49.14
O=C(C1=CC=C(N2C(=O)CCC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139527	1	43	-1.0	-54.17	357.09	5.06	-49.11
O=C(C1=CC=CC(N2C(=O)CCC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139528	0	43	-1.0	-57.45	356.29	4.99	-52.46
O=C(C1=CC=CC(N2C(=O)CCC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139528	1	43	-1.0	-57.44	356.35	5.01	-52.43
O=C(C1CC(=O)N(CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139529	0	47	-1.0	-48.64	375.18	6.16	-42.48
O=C(C1CC(=O)N(CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139529	1	47	-1.0	-48.68	375.24	6.18	-42.50
O=C(CCCOC1=CC=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139530	0	43	-1.0	-51.18	367.37	6.47	-44.71
O=C(CCCOC1=CC=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139530	1	43	-1.0	-51.23	367.43	6.50	-44.73
CC1=C(C)C2=C(SCC(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020139531	0	44	-1.0	-46.76	376.30	6.50	-40.26
CC1=C(C)C2=C(SCC(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020139531	1	44	-1.0	-46.75	376.35	6.52	-40.23
CC1=CC=C(C)C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139532	0	47	-1.0	-44.90	373.65	7.43	-37.47
CC1=CC=C(C)C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139532	1	47	-1.0	-44.89	373.70	7.46	-37.43
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)F	REAL300020139533	0	41	-1.0	-46.81	338.84	3.93	-42.88
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020139533	1	41	-1.0	-46.82	338.90	3.96	-42.86
NS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139534	0	38	-1.0	-54.83	324.15	-0.62	-55.45
NS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139534	1	38	-1.0	-54.83	324.21	-0.60	-55.43
O=C(C1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139535	0	47	-1.0	-46.98	381.69	7.73	-39.25
O=C(C1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139535	1	47	-1.0	-46.99	381.75	7.76	-39.23
CCCCCOC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139536	0	57	-1.0	-44.94	451.97	8.69	-36.25
CCCCCOC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139536	1	57	-1.0	-44.96	452.03	8.71	-36.25
O=C(CCC1=NC(=O)C2=CC=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139537	0	44	-1.0	-53.75	360.57	4.26	-49.49
O=C(CCC1=NC(=O)C2=CC=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139537	1	44	-1.0	-53.72	360.63	4.29	-49.43
CCCC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139538	0	50	-1.0	-44.68	400.70	8.30	-36.38
CCCC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139538	1	50	-1.0	-44.67	400.76	8.33	-36.34
O=C(C=CC1=CC=CC=C1OC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139539	0	41	-1.0	-50.92	341.58	5.57	-45.35
O=C(C=CC1=CC=CC=C1OC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139539	1	41	-1.0	-50.92	341.64	5.59	-45.33
O=C(C1=CC(Br)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139540	0	33	-1.0	-44.48	306.68	5.54	-38.94
O=C(C1=CC(Br)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139540	1	33	-1.0	-44.48	306.74	5.56	-38.92
O=C(CC1=CC=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139541	0	36	-1.0	-47.08	325.28	6.37	-40.71
O=C(CC1=CC=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139541	1	36	-1.0	-47.10	325.34	6.39	-40.71
O=C(CN1C(=O)C2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139542	0	40	-1.0	-55.52	339.88	4.58	-50.94
O=C(CN1C(=O)C2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139542	1	40	-1.0	-55.52	339.94	4.60	-50.92
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020139543	0	41	-1.0	-44.54	342.71	6.15	-38.39
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020139543	1	41	-1.0	-44.50	342.77	6.18	-38.32
O=C(C1=CC2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139544	0	39	-1.0	-39.54	316.12	6.68	-32.86
O=C(C1=CC2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139544	1	39	-1.0	-39.59	316.18	6.70	-32.89
O=C(C1=CC=CC=C1I)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139545	0	33	-1.0	-46.35	296.18	5.50	-40.85
O=C(C1=CC=CC=C1I)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139545	1	33	-1.0	-46.35	296.23	5.52	-40.83
O=C(C1=CC=CC(OC2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139546	0	44	-1.0	-49.53	359.27	7.29	-42.24
O=C(C1=CC=CC(OC2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139546	1	44	-1.0	-49.50	359.32	7.32	-42.18
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL300020139547	0	38	-1.0	-45.17	327.20	5.17	-40.00
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300020139547	1	38	-1.0	-45.14	327.26	5.20	-39.94
NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020139548	0	37	-1.0	-52.01	310.16	3.15	-48.86
NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020139548	1	37	-1.0	-52.02	310.22	3.18	-48.84
O=C(C1=NC2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139549	0	38	-1.0	-46.65	310.70	5.66	-40.99
O=C(C1=NC2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139549	1	38	-1.0	-46.62	310.65	5.64	-40.98
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139550	0	45	-1.0	-45.20	346.62	6.76	-38.44
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139550	1	45	-1.0	-45.21	346.68	6.79	-38.42
O=C(C1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139551	0	35	-1.0	-44.46	298.67	5.11	-39.35
O=C(C1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139551	1	35	-1.0	-44.43	298.73	5.14	-39.29
O=C(C1=CC=C(OC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139552	0	44	-1.0	-45.41	359.29	7.30	-38.11
O=C(C1=CC=C(OC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139552	1	44	-1.0	-45.45	359.35	7.33	-38.12
O=C(C1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139553	0	36	-1.0	-47.27	308.98	5.43	-41.84
O=C(C1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139553	1	36	-1.0	-47.29	309.04	5.46	-41.83
O=C(C1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020139554	0	35	-1.0	-54.22	311.58	6.44	-47.78
O=C(C1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020139554	1	35	-1.0	-54.22	311.63	6.46	-47.76
CCOC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OCC)=C1OCC	REAL300020139555	0	54	-1.0	-45.18	427.33	6.35	-38.83
CCOC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OCC)=C1OCC	REAL300020139555	1	54	-1.0	-45.20	427.38	6.38	-38.82
O=C(C1=CC=C(I)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139556	0	33	-1.0	-43.48	298.27	5.54	-37.94
O=C(C1=CC=C(I)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139556	1	33	-1.0	-43.46	298.32	5.57	-37.89
O=C(C=CC1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139557	0	39	-1.0	-39.55	331.67	6.60	-32.95
O=C(C=CC1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139557	1	39	-1.0	-39.55	331.73	6.62	-32.93
O=C(CCCOC1=CC=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139558	0	43	-1.0	-51.73	378.83	6.92	-44.81
O=C(CCCOC1=CC=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139558	1	43	-1.0	-51.72	378.89	6.94	-44.78
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139559	0	40	-1.0	-51.25	349.36	6.71	-44.54
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139559	1	40	-1.0	-51.24	349.42	6.73	-44.51
O=C(C1=CC=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139560	0	33	-1.0	-36.24	301.95	5.43	-30.81
O=C(C1=CC=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139560	1	33	-1.0	-36.22	302.00	5.45	-30.77
COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139561	0	44	-1.0	-51.42	353.42	4.63	-46.79
COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139561	1	44	-1.0	-51.41	353.48	4.66	-46.75
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020139562	0	41	-1.0	-47.65	329.09	3.66	-43.99
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020139562	1	41	-1.0	-47.68	329.15	3.69	-43.99
CSC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139563	0	37	-1.0	-39.95	326.59	5.98	-33.97
CSC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139563	1	37	-1.0	-39.90	326.65	6.01	-33.89
O=C(CC1=C(Cl)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139564	0	36	-1.0	-46.04	322.80	6.30	-39.74
O=C(CC1=C(Cl)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139564	1	36	-1.0	-46.06	322.86	6.32	-39.74
O=C(CC1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139565	0	39	-1.0	-48.51	333.73	6.44	-42.07
O=C(CC1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139565	1	39	-1.0	-48.51	333.79	6.47	-42.04
COC1=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020139566	0	51	-1.0	-49.05	408.00	5.38	-43.67
COC1=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020139566	1	51	-1.0	-49.08	408.06	5.40	-43.68
COC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1	REAL300020139567	0	41	-1.0	-45.03	353.52	5.77	-39.26
COC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020139567	1	41	-1.0	-45.07	353.58	5.79	-39.28
CC1=CC(Cl)=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139568	0	40	-1.0	-49.28	340.39	6.57	-42.71
CC1=CC(Cl)=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139568	1	40	-1.0	-49.28	340.44	6.60	-42.68
O=C(C=CC1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139569	0	37	-1.0	-36.45	320.24	6.45	-30.00
O=C(C=CC1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139569	1	37	-1.0	-36.47	320.29	6.47	-30.00
COC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020139570	0	45	-1.0	-51.38	360.55	4.58	-46.80
COC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020139570	1	45	-1.0	-51.41	360.60	4.60	-46.81
COC1=CC=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139571	0	41	-1.0	-38.59	332.98	5.23	-33.36
COC1=CC=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139571	1	41	-1.0	-38.57	333.04	5.25	-33.32
O=C(C=CC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020139572	0	39	-1.0	-42.28	326.81	6.42	-35.86
O=C(C=CC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020139572	1	39	-1.0	-42.27	326.87	6.45	-35.82
COC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020139573	0	49	-1.0	-50.00	395.30	5.11	-44.89
COC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020139573	1	49	-1.0	-50.01	395.36	5.13	-44.88
CC1=NC(COC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=NO1	REAL300020139574	0	45	-1.0	-50.25	373.28	3.25	-47.00
CC1=NC(COC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=NO1	REAL300020139574	1	45	-1.0	-50.23	373.34	3.27	-46.96
O=C(C1=CC=CC(OC(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139575	0	37	-1.0	-46.02	309.16	4.01	-42.01
O=C(C1=CC=CC(OC(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139575	1	37	-1.0	-45.99	309.22	4.04	-41.95
O=C(CSC1=CC(Cl)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139576	0	37	-1.0	-47.48	344.93	6.92	-40.56
O=C(CSC1=CC(Cl)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139576	1	37	-1.0	-47.47	344.99	6.95	-40.52
O=C(CSC1=CC=CC2=CC=CC(Cl)=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139577	0	43	-1.0	-51.60	367.03	8.42	-43.18
O=C(CSC1=CC=CC2=CC=CC(Cl)=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139577	1	43	-1.0	-51.61	367.09	8.45	-43.16
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139578	0	46	-1.0	-49.31	368.89	8.85	-40.46
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139578	1	46	-1.0	-49.32	368.94	8.88	-40.44
O=C(C1=CC=CC(I)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139579	0	33	-1.0	-46.05	297.72	5.51	-40.54
O=C(C1=CC=CC(I)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139579	1	33	-1.0	-46.06	297.78	5.54	-40.52
COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139580	0	40	-1.0	-48.96	324.18	4.73	-44.23
COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139580	1	40	-1.0	-48.95	324.23	4.76	-44.19
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=NNC(=O)C=C1	REAL300020139581	0	42	-1.0	-47.99	349.05	2.79	-45.20
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=NNC(=O)C=C1	REAL300020139581	1	42	-1.0	-48.01	349.10	2.81	-45.20
COC1=CC=CC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139582	0	41	-1.0	-50.72	331.83	5.30	-45.42
COC1=CC=CC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139582	1	41	-1.0	-50.70	331.88	5.32	-45.38
O=C(CSC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139583	0	43	-1.0	-49.59	359.28	8.21	-41.38
O=C(CSC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139583	1	43	-1.0	-49.59	359.33	8.24	-41.35
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)N1CCCC(C3=N[N-]N=N3)C1)C=N2	REAL300020139584	0	45	-1.0	-57.07	368.57	5.53	-51.54
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)N1CCCC(C3=NN=N[N-]3)C1)C=N2	REAL300020139584	1	45	-1.0	-57.01	368.62	5.56	-51.45
O=C(C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139585	0	48	-1.0	-46.61	386.32	8.49	-38.12
O=C(C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139585	1	48	-1.0	-46.62	386.27	8.47	-38.15
O=C(CC1=CC=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139586	0	42	-1.0	-49.20	337.38	7.58	-41.62
O=C(CC1=CC=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139586	1	42	-1.0	-49.26	337.44	7.60	-41.66
CC1=NN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)C(C)=C1	REAL300020139587	0	46	-1.0	-48.96	369.07	6.60	-42.36
CC1=NN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)C(C)=C1	REAL300020139587	1	46	-1.0	-48.91	369.13	6.63	-42.28
O=C(CCCOC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139588	0	43	-1.0	-50.62	346.04	5.83	-44.79
O=C(CCCOC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139588	1	43	-1.0	-50.62	346.09	5.86	-44.76
O=C(C1=CC=C2N=CSC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139589	0	35	-1.0	-45.44	301.77	3.85	-41.59
O=C(C1=CC=C2N=CSC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139589	1	35	-1.0	-45.45	301.71	3.83	-41.62
CSCCC(NC(=O)C1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139590	0	50	-1.0	-44.36	404.21	5.65	-38.71
CSCCC(NC(=O)C1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139590	1	50	-1.0	-44.34	404.27	5.67	-38.67
CC1=CC=C(C(=O)NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)C)C=C1	REAL300020139591	0	52	-1.0	-43.96	393.66	5.87	-38.09
CC1=CC=C(C(=O)NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)C)C=C1	REAL300020139591	1	52	-1.0	-43.91	393.72	5.90	-38.01
CCOC1=CC=C(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139592	0	50	-1.0	-51.34	397.38	6.04	-45.30
CCOC1=CC=C(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139592	1	50	-1.0	-51.31	397.44	6.07	-45.24
CC(=O)C1=C(C)NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020139593	0	42	-1.0	-48.38	346.88	4.00	-44.38
CC(=O)C1=C(C)NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020139593	1	42	-1.0	-48.39	346.94	4.02	-44.37
O=C(C1=CC=C2OCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139594	0	36	-1.0	-38.54	296.06	3.10	-35.44
O=C(C1=CC=C2OCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139594	1	36	-1.0	-38.55	296.11	3.13	-35.42
O=C(C1=CC=C(Br)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139595	0	30	-1.0	-38.15	272.75	3.36	-34.79
O=C(C1=CC=C(Br)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139595	1	30	-1.0	-38.18	272.81	3.39	-34.79
CCCCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139596	0	49	-1.0	-45.43	386.28	7.04	-38.39
CCCCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139596	1	49	-1.0	-45.46	386.34	7.07	-38.39
O=C(C1=CN=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139597	0	32	-1.0	-42.62	286.71	3.21	-39.41
O=C(C1=CN=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139597	1	32	-1.0	-42.61	286.65	3.19	-39.42
O=C(CC1=C(F)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139598	0	36	-1.0	-47.16	314.06	5.90	-41.26
O=C(CC1=C(F)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139598	1	36	-1.0	-47.19	314.12	5.92	-41.27
O=C(C1=CC=CC(Cl)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139599	0	33	-1.0	-48.50	300.59	5.37	-43.13
O=C(C1=CC=CC(Cl)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139599	1	33	-1.0	-48.47	300.64	5.40	-43.07
O=C(C1=CC(Cl)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139600	0	33	-1.0	-44.71	302.12	5.43	-39.28
O=C(C1=CC(Cl)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139600	1	33	-1.0	-44.69	302.18	5.46	-39.23
O=C(C1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139601	0	33	-1.0	-42.30	302.44	5.40	-36.90
O=C(C1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139601	1	33	-1.0	-42.29	302.50	5.42	-36.87
O=C(CC1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139602	0	36	-1.0	-47.79	326.58	6.40	-41.39
O=C(CC1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139602	1	36	-1.0	-47.81	326.64	6.43	-41.38
CCN(CC)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139603	0	47	-1.0	-46.71	365.44	6.74	-39.97
CCN(CC)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139603	1	47	-1.0	-46.72	365.49	6.77	-39.95
COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020139604	0	41	-1.0	-51.85	332.64	4.03	-47.82
COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020139604	1	41	-1.0	-51.91	332.70	4.06	-47.85
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020139605	0	41	-1.0	-41.13	328.91	3.29	-37.84
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020139605	1	41	-1.0	-41.16	328.97	3.31	-37.85
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020139606	0	41	-1.0	-47.45	327.89	2.99	-44.46
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020139606	1	41	-1.0	-47.46	327.95	3.01	-44.45
CN(C)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139607	0	41	-1.0	-47.98	318.98	4.75	-43.23
CN(C)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139607	1	41	-1.0	-47.95	319.04	4.77	-43.18
CN(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139608	0	41	-1.0	-47.06	321.82	4.86	-42.20
CN(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139608	1	41	-1.0	-47.09	321.88	4.88	-42.21
O=C(C1=CC=C(C2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139609	0	43	-1.0	-46.39	344.64	7.86	-38.53
O=C(C1=CC=C(C2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139609	1	43	-1.0	-46.38	344.70	7.88	-38.50
O=C(C(C1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139610	0	46	-1.0	-47.52	361.74	8.38	-39.14
O=C(C(C1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139610	1	46	-1.0	-47.49	361.79	8.40	-39.09
O=C(CC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139611	0	36	-1.0	-47.27	311.40	5.96	-41.31
O=C(CC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139611	1	36	-1.0	-47.28	311.46	5.98	-41.30
O=C(COC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139612	0	37	-1.0	-49.50	320.35	5.88	-43.62
O=C(COC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139612	1	37	-1.0	-49.48	320.41	5.91	-43.57
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020139613	0	41	-1.0	-44.16	353.04	6.60	-37.56
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020139613	1	41	-1.0	-44.14	353.10	6.63	-37.51
CC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139614	0	49	-1.0	-42.53	388.98	5.71	-36.82
CC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139614	1	49	-1.0	-42.52	389.04	5.74	-36.78
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C1=O	REAL300020139615	0	41	-1.0	-44.02	331.99	4.38	-39.64
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C1=O	REAL300020139615	1	41	-1.0	-44.03	332.05	4.40	-39.63
O=C(COC1=CC=CC=C1)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139616	0	44	-1.0	-47.55	362.55	3.77	-43.78
O=C(COC1=CC=CC=C1)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139616	1	44	-1.0	-47.56	362.61	3.80	-43.76
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020139617	0	49	-1.0	-54.69	380.87	7.45	-47.24
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020139617	1	49	-1.0	-54.64	380.93	7.48	-47.16
COC1=CC=C(C(=O)NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)C)C=C1	REAL300020139618	0	53	-1.0	-44.12	401.67	4.51	-39.61
COC1=CC=C(C(=O)NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)C)C=C1	REAL300020139618	1	53	-1.0	-44.11	401.73	4.53	-39.58
CC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139619	0	44	-1.0	-45.10	357.70	6.75	-38.35
CC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139619	1	44	-1.0	-45.13	357.75	6.77	-38.36
O=C(CCC1=CNC2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139620	0	43	-1.0	-48.36	347.97	6.30	-42.06
O=C(CCC1=CNC2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139620	1	43	-1.0	-48.41	348.03	6.33	-42.08
CC1=CC(C)=NC(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020139621	0	41	-1.0	-49.94	348.92	4.75	-45.19
CC1=CC(C)=NC(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020139621	1	41	-1.0	-49.94	348.98	4.77	-45.17
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300020139622	0	44	-1.0	-48.31	384.91	3.63	-44.68
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300020139622	1	44	-1.0	-48.30	384.97	3.66	-44.64
CC1=CC=C(C)C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139623	0	43	-1.0	-47.71	353.10	7.19	-40.52
CC1=CC=C(C)C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139623	1	43	-1.0	-47.69	353.15	7.22	-40.47
O=C(COC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020139624	0	39	-1.0	-64.40	329.61	6.50	-57.90
O=C(COC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020139624	1	39	-1.0	-64.41	329.67	6.53	-57.88
O=C(C=CC1=CC(Cl)=C2OCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139625	0	40	-1.0	-47.81	346.23	5.12	-42.69
O=C(C=CC1=CC(Cl)=C2OCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139625	1	40	-1.0	-47.84	346.29	5.14	-42.70
O=C(CCN1NC(=O)C2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139626	0	45	-1.0	-50.29	371.27	3.34	-46.95
O=C(CCN1NC(=O)C2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139626	1	45	-1.0	-50.35	371.33	3.37	-46.98
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1CC1=CC=CO1	REAL300020139627	0	47	-1.0	-51.22	378.90	7.10	-44.12
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1CC1=CC=CO1	REAL300020139627	1	47	-1.0	-51.22	378.96	7.12	-44.10
CC(C)C(NC(=O)C1=CC=CS1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139628	0	46	-1.0	-43.73	365.82	4.20	-39.53
CC(C)C(NC(=O)C1=CC=CS1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139628	1	46	-1.0	-43.69	365.88	4.22	-39.47
CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139629	0	46	-1.0	-51.54	367.18	8.15	-43.39
CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139629	1	46	-1.0	-51.54	367.24	8.18	-43.36
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139630	0	47	-1.0	-44.98	384.10	4.16	-40.82
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139630	1	47	-1.0	-44.99	384.16	4.18	-40.81
O=C(CSC1=CC=C2CCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139631	0	44	-1.0	-48.45	358.75	7.86	-40.59
O=C(CSC1=CC=C2CCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139631	1	44	-1.0	-48.47	358.81	7.89	-40.58
O=C(COC1=CC=C(F)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139632	0	37	-1.0	-52.43	326.02	5.95	-46.48
O=C(COC1=CC=C(F)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139632	1	37	-1.0	-52.42	326.08	5.97	-46.45
O=C(NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CS1	REAL300020139633	0	44	-1.0	-52.85	373.90	5.42	-47.43
O=C(NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CS1	REAL300020139633	1	44	-1.0	-52.88	373.96	5.45	-47.43
O=C(CCNC(=O)C1=CSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139634	0	40	-1.0	-57.38	342.49	2.79	-54.59
O=C(CCNC(=O)C1=CSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139634	1	40	-1.0	-57.36	342.54	2.82	-54.54
O=C(CCCNC(=O)C1=CSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139635	0	43	-1.0	-50.44	363.98	3.60	-46.84
O=C(CCCNC(=O)C1=CSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139635	1	43	-1.0	-50.44	364.04	3.62	-46.82
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)C1=CC=CC=C1	REAL300020139636	0	46	-1.0	-55.87	370.51	5.04	-50.83
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)C1=CC=CC=C1	REAL300020139636	1	46	-1.0	-55.89	370.56	5.07	-50.82
CC(=O)NC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020139637	0	46	-1.0	-44.77	380.54	5.33	-39.44
CC(=O)NC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020139637	1	46	-1.0	-44.78	380.60	5.36	-39.42
CC(=O)NC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C)C=C1	REAL300020139638	0	49	-1.0	-45.55	384.49	5.48	-40.07
CC(=O)NC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C)C=C1	REAL300020139638	1	49	-1.0	-45.56	384.55	5.51	-40.05
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139639	0	42	-1.0	-49.72	357.06	6.94	-42.78
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139639	1	42	-1.0	-49.68	357.12	6.97	-42.71
O=C(C1=CC=C2OCCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139640	0	42	-1.0	-46.11	332.75	4.37	-41.74
O=C(C1=CC=C2OCCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139640	1	42	-1.0	-46.10	332.81	4.39	-41.71
O=C(CCCN1C(=O)CNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139641	0	41	-1.0	-56.36	337.59	1.18	-55.18
O=C(CCCN1C(=O)CNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139641	1	41	-1.0	-56.38	337.64	1.21	-55.17
O=C(C1=CC=C(C2SCCCS2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139642	0	45	-1.0	-46.07	373.91	7.97	-38.10
O=C(C1=CC=C(C2SCCCS2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139642	1	45	-1.0	-46.06	373.97	7.99	-38.07
COC1=CC=C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139643	0	41	-1.0	-48.96	342.69	5.26	-43.70
COC1=CC=C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139643	1	41	-1.0	-48.96	342.75	5.29	-43.67
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020139644	0	37	-1.0	-44.67	306.10	3.82	-40.85
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020139644	1	37	-1.0	-44.66	306.16	3.84	-40.82
O=C(C=CC1=NC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139645	0	39	-1.0	-49.00	328.75	3.00	-46.00
O=C(C=CC1=NC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139645	1	39	-1.0	-48.99	328.81	3.03	-45.96
O=C(C1=CC=C2OCC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139646	0	39	-1.0	-48.74	320.64	1.64	-47.10
O=C(C1=CC=C2OCC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139646	1	39	-1.0	-48.75	320.69	1.67	-47.08
CC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020139647	0	41	-1.0	-45.19	349.00	5.99	-39.20
CC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020139647	1	41	-1.0	-45.22	349.06	6.01	-39.21
O=C(C1=CC(Cl)=C2OCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139648	0	36	-1.0	-43.91	313.23	3.62	-40.29
O=C(C1=CC(Cl)=C2OCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139648	1	36	-1.0	-43.92	313.29	3.64	-40.28
O=C(C1=CC=C2SCCC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139649	0	42	-1.0	-48.33	346.49	3.79	-44.54
O=C(C1=CC=C2SCCC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139649	1	42	-1.0	-48.29	346.55	3.82	-44.47
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139650	0	40	-2.0	-91.09	346.49	1.40	-89.69
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139650	1	40	-2.0	-91.06	346.54	1.43	-89.63
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139651	0	43	-1.0	-48.34	363.89	5.64	-42.70
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139651	1	43	-1.0	-48.32	363.94	5.67	-42.65
CC1=CC=C(NC(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139652	0	40	-1.0	-40.34	326.18	3.55	-36.79
CC1=CC=C(NC(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139652	1	40	-1.0	-40.33	326.24	3.58	-36.75
CCOC1=CC=C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139653	0	44	-1.0	-48.66	364.55	6.19	-42.47
CCOC1=CC=C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139653	1	44	-1.0	-48.66	364.61	6.21	-42.45
O=C(CCC1=NC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139654	0	41	-1.0	-48.86	338.43	3.23	-45.63
O=C(CCC1=NC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139654	1	41	-1.0	-48.89	338.49	3.25	-45.64
O=C(C1=CC(Cl)=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139655	0	39	-1.0	-45.75	329.44	4.09	-41.66
O=C(C1=CC(Cl)=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139655	1	39	-1.0	-45.72	329.50	4.12	-41.60
O=C(CSC1=CC=C(C(F)(F)F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139656	0	39	-1.0	-45.12	350.25	5.36	-39.76
O=C(CSC1=CC=C(C(F)(F)F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139656	1	39	-1.0	-45.13	350.19	5.33	-39.80
O=C(C1=CC=C(CN2CCCC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139657	0	47	-1.0	-54.37	377.95	6.20	-48.17
O=C(C1=CC=C(CN2CCCC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139657	1	47	-1.0	-54.41	378.01	6.23	-48.18
O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139658	0	48	-1.0	-49.98	381.02	3.01	-46.97
O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139658	1	48	-1.0	-50.00	381.08	3.03	-46.97
NS(=O)(=O)C1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139659	0	44	-1.0	-51.79	370.33	1.21	-50.58
NS(=O)(=O)C1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139659	1	44	-1.0	-51.80	370.39	1.24	-50.56
CNS(=O)(=O)C1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139660	0	47	-1.0	-51.00	392.70	2.43	-48.57
CNS(=O)(=O)C1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139660	1	47	-1.0	-51.05	392.76	2.46	-48.59
O=C(CN1C=C(C(F)(F)F)C=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139661	0	39	-1.0	-53.82	337.60	4.96	-48.86
O=C(CN1C=C(C(F)(F)F)C=CC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139661	1	39	-1.0	-53.80	337.65	4.99	-48.81
COC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020139662	0	43	-1.0	-47.19	366.02	6.22	-40.97
COC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020139662	1	43	-1.0	-47.22	366.08	6.25	-40.97
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(S(=O)(=O)N(C)C)=C1C	REAL300020139663	0	50	-1.0	-42.73	389.93	3.39	-39.34
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(S(=O)(=O)N(C)C)=C1C	REAL300020139663	1	50	-1.0	-42.74	389.98	3.41	-39.33
O=C(C=CC1=CC=C(N2C=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139664	0	44	-1.0	-41.13	359.31	8.32	-32.81
O=C(C=CC1=CC=C(N2C=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139664	1	44	-1.0	-41.15	359.36	8.34	-32.81
O=C(C1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139665	0	45	-1.0	-48.87	378.87	2.26	-46.61
O=C(C1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139665	1	45	-1.0	-48.89	378.93	2.29	-46.60
CC1=CC(N2C=CN=C2SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020139666	0	50	-1.0	-47.86	417.89	9.21	-38.65
CC1=CC(N2C=CN=C2SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL300020139666	1	50	-1.0	-47.84	417.83	9.18	-38.66
CC1=CC=CC=C1N1C=CN=C1SCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139667	0	47	-1.0	-47.39	391.47	8.26	-39.13
CC1=CC=CC=C1N1C=CN=C1SCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139667	1	47	-1.0	-47.41	391.41	8.23	-39.18
CC1=CC=CC(N2C=CN=C2SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020139668	0	50	-1.0	-47.41	408.56	8.79	-38.62
CC1=CC=CC(N2C=CN=C2SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020139668	1	50	-1.0	-47.44	408.50	8.77	-38.67
CC1=CC=C(C)C(N2C=CN=C2SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139669	0	50	-1.0	-47.30	412.97	8.92	-38.38
CC1=CC=C(C)C(N2C=CN=C2SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139669	1	50	-1.0	-47.30	412.91	8.89	-38.41
O=C(CCC1=NC2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139670	0	44	-1.0	-47.90	356.54	6.61	-41.29
O=C(CCC1=NC2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139670	1	44	-1.0	-47.85	356.60	6.64	-41.21
CSC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1C1=CC=CC=C1	REAL300020139671	0	44	-1.0	-46.95	370.27	7.19	-39.76
CSC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1C1=CC=CC=C1	REAL300020139671	1	44	-1.0	-46.95	370.21	7.17	-39.78
CC1=NN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)C(C)=C1Cl	REAL300020139672	0	46	-1.0	-45.90	385.56	7.11	-38.79
CC1=NN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)C(C)=C1Cl	REAL300020139672	1	46	-1.0	-45.94	385.62	7.14	-38.80
O=C(C1=CC=C2NC(=O)COC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139673	0	39	-1.0	-39.52	319.13	1.62	-37.90
O=C(C1=CC=C2NC(=O)COC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139673	1	39	-1.0	-39.54	319.19	1.65	-37.89
COC1=CC=C(N2C=CN=C2SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139674	0	48	-1.0	-47.88	404.60	7.18	-40.70
COC1=CC=C(N2C=CN=C2SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139674	1	48	-1.0	-47.90	404.55	7.15	-40.75
O=C(C1=CC=C(N2C=CC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139675	0	40	-1.0	-49.88	328.29	5.65	-44.23
O=C(C1=CC=C(N2C=CC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139675	1	40	-1.0	-49.90	328.23	5.63	-44.27
CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020139676	0	40	-1.0	-52.66	345.41	6.66	-46.00
CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020139676	1	40	-1.0	-52.70	345.47	6.69	-46.01
CON(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139677	0	45	-1.0	-53.05	377.07	2.40	-50.65
CON(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139677	1	45	-1.0	-53.03	377.13	2.43	-50.60
O=C(COCC1=NC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139678	0	42	-1.0	-56.67	360.82	5.27	-51.40
O=C(COCC1=NC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139678	1	42	-1.0	-56.69	360.87	5.30	-51.39
O=C(C1=CC(Cl)=C2OCCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139679	0	42	-1.0	-44.34	349.43	4.92	-39.42
O=C(C1=CC(Cl)=C2OCCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139679	1	42	-1.0	-44.34	349.49	4.95	-39.39
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020139680	0	53	-1.0	-51.62	398.46	5.57	-46.05
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020139680	1	53	-1.0	-51.59	398.52	5.59	-46.00
O=C(C1=CC2=CC=C(F)C=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139681	0	36	-1.0	-39.35	313.78	5.93	-33.42
O=C(C1=CC2=CC=C(F)C=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139681	1	36	-1.0	-39.32	313.84	5.95	-33.37
O=C(C=CC1=CC(Cl)=C2OCCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139682	0	46	-1.0	-48.02	382.29	6.43	-41.59
O=C(C=CC1=CC(Cl)=C2OCCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139682	1	46	-1.0	-48.00	382.34	6.45	-41.55
CCC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139683	0	43	-1.0	-38.15	346.39	7.37	-30.78
CCC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139683	1	43	-1.0	-38.14	346.44	7.40	-30.74
COC1=CC=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1OC(F)F	REAL300020139684	0	45	-1.0	-53.71	372.68	5.55	-48.16
COC1=CC=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1OC(F)F	REAL300020139684	1	45	-1.0	-53.72	372.73	5.57	-48.15
CN1CC(=O)N(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020139685	0	44	-1.0	-56.57	360.01	3.58	-52.99
CN1CC(=O)N(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020139685	1	44	-1.0	-56.57	360.06	3.60	-52.97
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020139686	0	40	-1.0	-42.12	325.42	6.18	-35.94
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020139686	1	40	-1.0	-42.17	325.48	6.20	-35.97
O=C(CC1=CC=C(OC(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139687	0	40	-1.0	-50.94	333.92	5.02	-45.92
O=C(CC1=CC=C(OC(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139687	1	40	-1.0	-50.95	333.98	5.04	-45.91
O=C(C1=CC=C(F)C=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139688	0	33	-1.0	-36.23	295.65	5.09	-31.14
O=C(C1=CC=C(F)C=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139688	1	33	-1.0	-36.19	295.71	5.12	-31.07
O=C(C1=C2NC3=C(CCCC3)C2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139689	0	47	-1.0	-47.07	366.19	6.93	-40.14
O=C(C1=C2NC3=C(CCCC3)C2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139689	1	47	-1.0	-47.06	366.24	6.96	-40.10
CS(=O)(=O)N1CCC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020139690	0	45	-1.0	-51.78	368.13	3.14	-48.64
CS(=O)(=O)N1CCC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020139690	1	45	-1.0	-51.76	368.18	3.17	-48.59
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=C1OCCO2	REAL300020139691	0	43	-1.0	-46.65	344.22	3.47	-43.18
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=C1OCCO2	REAL300020139691	1	43	-1.0	-46.64	344.28	3.49	-43.15
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020139692	0	37	-1.0	-44.21	320.28	4.40	-39.81
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020139692	1	37	-1.0	-44.21	320.34	4.43	-39.78
CC1CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2N1S(C)(=O)=O	REAL300020139693	0	48	-1.0	-52.52	384.43	3.99	-48.53
CC1CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2N1S(C)(=O)=O	REAL300020139693	1	48	-1.0	-52.49	384.49	4.01	-48.48
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1F	REAL300020139694	0	43	-1.0	-48.76	353.88	6.15	-42.61
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1F	REAL300020139694	1	43	-1.0	-48.78	353.93	6.18	-42.60
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300020139695	0	45	-1.0	-65.38	372.80	2.81	-62.57
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300020139695	1	45	-1.0	-65.43	372.86	2.84	-62.59
O=C(C=CC1=C(Cl)C2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139696	0	40	-1.0	-47.52	355.38	7.88	-39.64
O=C(C=CC1=C(Cl)C2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139696	1	40	-1.0	-47.52	355.43	7.90	-39.62
COC(=O)C1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020139697	0	46	-1.0	-56.80	383.00	7.46	-49.34
COC(=O)C1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020139697	1	46	-1.0	-56.75	383.05	7.49	-49.26
O=C(CCN1C(=O)COC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139698	0	45	-1.0	-48.31	362.16	4.67	-43.64
O=C(CCN1C(=O)COC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139698	1	45	-1.0	-48.30	362.22	4.69	-43.61
O=C(C1=CC=CC(N2C=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139699	0	41	-1.0	-49.34	329.76	7.16	-42.18
O=C(C1=CC=CC(N2C=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139699	1	41	-1.0	-49.31	329.82	7.18	-42.13
CS(=O)(=O)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139700	0	42	-1.0	-58.06	354.96	2.62	-55.44
CS(=O)(=O)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139700	1	42	-1.0	-58.05	355.02	2.64	-55.41
COCC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139701	0	40	-1.0	-47.76	325.00	4.14	-43.62
COCC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139701	1	40	-1.0	-47.74	325.06	4.17	-43.57
CS(=O)(=O)N1CCCC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020139702	0	48	-1.0	-43.58	379.77	3.74	-39.84
CS(=O)(=O)N1CCCC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020139702	1	48	-1.0	-43.60	379.83	3.77	-39.83
O=C(C1=CC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139703	0	36	-1.0	-40.69	307.37	5.86	-34.83
O=C(C1=CC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139703	1	36	-1.0	-40.69	307.43	5.88	-34.81
CC(=O)NC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139704	0	43	-1.0	-53.37	350.75	4.33	-49.04
CC(=O)NC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139704	1	43	-1.0	-53.34	350.81	4.35	-48.99
CC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139705	0	43	-1.0	-50.37	352.69	3.46	-46.91
CC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139705	1	43	-1.0	-50.40	352.75	3.48	-46.92
O=C(C1=CC(C2=CC=CC=C2)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139706	0	40	-1.0	-46.66	335.29	6.86	-39.80
O=C(C1=CC(C2=CC=CC=C2)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139706	1	40	-1.0	-46.70	335.35	6.88	-39.82
O=C(CCCNC(=O)C1=CC=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139707	0	46	-1.0	-51.77	383.63	4.85	-46.92
O=C(CCCNC(=O)C1=CC=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139707	1	46	-1.0	-51.78	383.69	4.87	-46.91
O=C(C1=CC=C(N2C=NN=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139708	0	38	-1.0	-53.02	318.15	4.63	-48.39
O=C(C1=CC=C(N2C=NN=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139708	1	38	-1.0	-53.02	318.09	4.60	-48.42
O=C(CCC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139709	0	39	-1.0	-45.75	322.51	6.33	-39.42
O=C(CCC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139709	1	39	-1.0	-45.75	322.57	6.35	-39.40
CCOC1=CC=CC=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139710	0	46	-1.0	-47.47	366.23	6.53	-40.94
CCOC1=CC=CC=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139710	1	46	-1.0	-47.48	366.29	6.55	-40.93
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020139711	0	37	-1.0	-39.62	305.87	3.80	-35.82
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020139711	1	37	-1.0	-39.64	305.93	3.83	-35.81
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1)C1=CC=CS1	REAL300020139712	0	44	-1.0	-59.30	371.83	5.40	-53.90
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1)C1=CC=CS1	REAL300020139712	1	44	-1.0	-59.26	371.89	5.43	-53.83
CC1=CSC(=O)N1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139713	0	39	-1.0	-50.16	328.54	3.97	-46.19
CC1=CSC(=O)N1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139713	1	39	-1.0	-50.19	328.60	3.99	-46.20
CC(C)C1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139714	0	46	-1.0	-49.96	363.82	7.29	-42.67
CC(C)C1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139714	1	46	-1.0	-49.96	363.87	7.32	-42.64
O=C(C1=CC=C(CN2C(=O)CCC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139715	0	46	-1.0	-50.96	378.64	5.59	-45.37
O=C(C1=CC=C(CN2C(=O)CCC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139715	1	46	-1.0	-50.98	378.70	5.62	-45.36
O=C(C1=CC=C(CN2C(=O)CNC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139716	0	45	-1.0	-51.06	373.30	3.06	-48.00
O=C(C1=CC=C(CN2C(=O)CNC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139716	1	45	-1.0	-51.00	373.36	3.09	-47.91
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1)C1CC1	REAL300020139717	0	44	-1.0	-59.61	356.44	4.89	-54.72
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1)C1CC1	REAL300020139717	1	44	-1.0	-59.62	356.50	4.91	-54.71
CC(C)(C)C1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139718	0	51	-1.0	-45.26	392.30	8.58	-36.68
CC(C)(C)C1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139718	1	51	-1.0	-45.27	392.36	8.61	-36.66
CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139719	0	49	-1.0	-45.53	401.96	6.73	-38.80
CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139719	1	49	-1.0	-45.52	402.01	6.75	-38.77
COC1=CC=CC=C1C(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020139720	0	53	-1.0	-46.79	398.38	5.26	-41.53
COC1=CC=CC=C1C(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020139720	1	53	-1.0	-46.82	398.43	5.28	-41.54
COC1=CC=C(C)C=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139721	0	44	-1.0	-50.30	353.22	5.96	-44.34
COC1=CC=C(C)C=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139721	1	44	-1.0	-50.30	353.28	5.99	-44.31
CN1C(=O)C=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020139722	0	39	-1.0	-57.30	322.39	3.41	-53.89
CN1C(=O)C=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020139722	1	39	-1.0	-57.34	322.44	3.44	-53.90
O=C(C1=CC=CC(N2CCCC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139723	0	44	-1.0	-62.07	346.71	5.51	-56.56
O=C(C1=CC=CC(N2CCCC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139723	1	44	-1.0	-62.06	346.76	5.54	-56.52
O=C(CSC1=CC=C(F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139724	0	37	-1.0	-46.76	325.91	6.09	-40.67
O=C(CSC1=CC=C(F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139724	1	37	-1.0	-46.80	325.97	6.12	-40.68
CSC1=NC(C)=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020139725	0	47	-1.0	-46.95	382.93	5.75	-41.20
CSC1=NC(C)=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020139725	1	47	-1.0	-46.97	382.99	5.78	-41.19
NC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139726	0	39	-1.0	-49.82	316.94	0.45	-49.37
NC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139726	1	39	-1.0	-49.81	317.00	0.48	-49.33
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020139727	0	45	-1.0	-46.50	365.12	7.52	-38.98
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020139727	1	45	-1.0	-46.51	365.18	7.54	-38.97
CCOC1=CC=CC=C1OCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139728	0	50	-1.0	-54.31	397.14	6.65	-47.66
CCOC1=CC=CC=C1OCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139728	1	50	-1.0	-54.29	397.19	6.68	-47.61
O=C(C1=CC=C2CCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139729	0	43	-1.0	-38.76	332.60	6.91	-31.85
O=C(C1=CC=C2CCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139729	1	43	-1.0	-38.77	332.65	6.94	-31.83
CC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300020139730	0	50	-1.0	-49.44	414.62	9.82	-39.62
CC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300020139730	1	50	-1.0	-49.41	414.68	9.84	-39.57
O=C(CCCCC1=NC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139731	0	47	-1.0	-50.50	390.73	7.23	-43.27
O=C(CCCCC1=NC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139731	1	47	-1.0	-50.52	390.79	7.26	-43.26
NC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139732	0	42	-1.0	-51.17	345.61	0.66	-50.51
NC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139732	1	42	-1.0	-51.15	345.67	0.69	-50.46
O=C(CC1OC2=CC=CC=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139733	0	42	-1.0	-50.03	343.00	3.47	-46.56
O=C(CC1OC2=CC=CC=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139733	1	42	-1.0	-50.00	343.05	3.50	-46.50
O=C(C1=CC(C2CC2)=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139734	0	45	-1.0	-45.62	359.78	6.86	-38.76
O=C(C1=CC(C2CC2)=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139734	1	45	-1.0	-45.61	359.84	6.88	-38.73
CC(C)(C)OC(=O)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139735	0	46	-1.0	-52.72	361.20	2.21	-50.51
CC(C)(C)OC(=O)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139735	1	46	-1.0	-52.70	361.26	2.23	-50.47
CC1=CC=NN1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139736	0	43	-1.0	-49.00	345.99	5.99	-43.01
CC1=CC=NN1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139736	1	43	-1.0	-49.00	346.04	6.01	-42.99
O=C(CC1CCS(=O)(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139737	0	39	-1.0	-57.63	317.16	1.09	-56.54
O=C(CC1CCS(=O)(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139737	1	39	-1.0	-57.64	317.22	1.12	-56.52
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139738	0	50	-1.0	-50.36	391.77	4.65	-45.71
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139738	1	50	-1.0	-50.39	391.82	4.67	-45.72
O=C(CCCCC1CCSS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139739	0	44	-1.0	-49.04	363.32	8.00	-41.04
O=C(CCCCC1CCSS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139739	1	44	-1.0	-49.04	363.38	8.02	-41.02
CC(C)CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139740	0	48	-1.0	-47.02	375.87	8.12	-38.90
CC(C)CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139740	1	48	-1.0	-47.04	375.93	8.15	-38.89
O=C(C1=CC=C(Cl)C(N2CCCC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139741	0	44	-1.0	-52.81	371.70	6.57	-46.24
O=C(C1=CC=C(Cl)C(N2CCCC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139741	1	44	-1.0	-52.79	371.75	6.60	-46.19
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139742	0	50	-1.0	-46.19	389.73	4.60	-41.59
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139742	1	50	-1.0	-46.20	389.79	4.62	-41.58
COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020139743	0	40	-1.0	-50.92	330.43	4.83	-46.09
COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020139743	1	40	-1.0	-50.90	330.49	4.85	-46.05
NC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139744	0	41	-1.0	-45.67	337.97	2.72	-42.95
NC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139744	1	41	-1.0	-45.65	338.03	2.75	-42.90
O=C(COC1=CC=C(Cl)C2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139745	0	43	-1.0	-50.81	363.01	8.08	-42.73
O=C(COC1=CC=C(Cl)C2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139745	1	43	-1.0	-50.81	363.07	8.11	-42.70
COC1=CC=C(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139746	0	40	-1.0	-41.67	322.01	4.71	-36.96
COC1=CC=C(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139746	1	40	-1.0	-41.72	322.07	4.73	-36.99
CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139747	0	41	-1.0	-49.92	347.07	0.61	-49.31
CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139747	1	41	-1.0	-49.92	347.12	0.64	-49.28
O=C(CCC1=NC(C2=CC=CC=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139748	0	44	-1.0	-47.46	367.02	4.90	-42.56
O=C(CCC1=NC(C2=CC=CC=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139748	1	44	-1.0	-47.44	366.96	4.88	-42.56
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139749	0	39	-1.0	-48.27	327.74	4.66	-43.61
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139749	1	39	-1.0	-48.33	327.79	4.68	-43.65
COC1=CC=C(C)C=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139750	0	43	-1.0	-48.93	344.39	5.46	-43.47
COC1=CC=C(C)C=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139750	1	43	-1.0	-48.94	344.44	5.48	-43.46
O=C(CSC1CCS(=O)(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139751	0	40	-1.0	-55.63	343.23	1.84	-53.79
O=C(CSC1CCS(=O)(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139751	1	40	-1.0	-55.59	343.28	1.87	-53.72
O=C(C1=CC=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139752	0	38	-1.0	-46.74	310.19	4.85	-41.89
O=C(C1=CC=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139752	1	38	-1.0	-46.71	310.13	4.82	-41.89
O=C(C1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020139753	0	35	-1.0	-58.31	296.04	5.95	-52.36
O=C(C1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020139753	1	35	-1.0	-58.27	296.10	5.98	-52.29
O=C(C1=NC(Cl)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139754	0	32	-1.0	-44.65	296.84	4.25	-40.40
O=C(C1=NC(Cl)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139754	1	32	-1.0	-44.68	296.78	4.23	-40.45
O=C(C1=CC(Cl)=NC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139755	0	32	-1.0	-41.03	299.25	3.56	-37.47
O=C(C1=CC(Cl)=NC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139755	1	32	-1.0	-41.07	299.19	3.54	-37.53
O=C(C1=C(C2=CC=CC=C2)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139756	0	40	-1.0	-38.77	335.05	7.20	-31.57
O=C(C1=C(C2=CC=CC=C2)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139756	1	40	-1.0	-38.78	335.11	7.23	-31.55
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2)=N1	REAL300020139757	0	42	-1.0	-39.92	353.30	6.03	-33.89
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC=C2)=N1	REAL300020139757	1	42	-1.0	-39.94	353.24	6.01	-33.93
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=CS2)=N1	REAL300020139758	0	39	-1.0	-40.36	346.71	5.10	-35.26
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=CS2)=N1	REAL300020139758	1	39	-1.0	-40.25	346.65	5.08	-35.17
CC(C)C1=NC2=CC=CC=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139759	0	47	-1.0	-45.82	368.99	6.61	-39.21
CC(C)C1=NC2=CC=CC=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139759	1	47	-1.0	-45.81	369.04	6.63	-39.18
CN(C)C(=O)COC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139760	0	47	-1.0	-53.01	377.80	5.50	-47.51
CN(C)C(=O)COC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139760	1	47	-1.0	-53.03	377.85	5.52	-47.51
CC1=CC=C(C2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)SC=C2)C=C1	REAL300020139761	0	43	-1.0	-40.38	359.01	7.67	-32.71
CC1=CC=C(C2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)SC=C2)C=C1	REAL300020139761	1	43	-1.0	-40.39	359.07	7.69	-32.70
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=C(F)C=C2)=N1	REAL300020139762	0	42	-1.0	-37.76	360.76	6.07	-31.69
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=C(F)C=C2)=N1	REAL300020139762	1	42	-1.0	-37.81	360.70	6.04	-31.77
CS(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139763	0	38	-1.0	-62.58	314.35	4.37	-58.21
CS(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139763	1	38	-1.0	-62.61	314.41	4.40	-58.21
O=C(C(=CC1=CC=C(F)C=C1)C1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139764	0	44	-1.0	-37.81	373.69	8.27	-29.54
O=C(C(=CC1=CC=C(F)C=C1)C1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139764	1	44	-1.0	-37.83	373.74	8.29	-29.54
NC(=O)COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139765	0	41	-1.0	-55.60	338.52	1.86	-53.74
NC(=O)COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139765	1	41	-1.0	-55.60	338.58	1.88	-53.72
N#CCSC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139766	0	38	-1.0	-44.04	329.45	5.99	-38.05
N#CCSC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139766	1	38	-1.0	-44.07	329.51	6.02	-38.05
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139767	0	42	-1.0	-42.85	344.33	5.20	-37.65
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139767	1	42	-1.0	-42.84	344.38	5.23	-37.61
O=C(C1CC(=O)N(C2=CC=CC=C2Cl)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139768	0	44	-1.0	-48.75	369.88	6.56	-42.19
O=C(C1CC(=O)N(C2=CC=CC=C2Cl)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139768	1	44	-1.0	-48.76	369.94	6.59	-42.17
N#CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139769	0	44	-1.0	-46.94	361.95	7.94	-39.00
N#CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139769	1	44	-1.0	-46.98	362.01	7.97	-39.01
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=CC=CC(F)=C21	REAL300020139770	0	39	-1.0	-40.24	327.84	6.46	-33.78
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=CC=CC(F)=C21	REAL300020139770	1	39	-1.0	-40.25	327.90	6.48	-33.77
O=C(C1=CC(F)=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139771	0	33	-1.0	-42.08	308.94	5.51	-36.57
O=C(C1=CC(F)=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139771	1	33	-1.0	-42.10	309.00	5.54	-36.56
COCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=CC=CC(F)=C21	REAL300020139772	0	43	-1.0	-48.42	361.51	5.51	-42.91
COCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=CC=CC(F)=C21	REAL300020139772	1	43	-1.0	-48.39	361.57	5.53	-42.86
CC1=CC(CSC2=NC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020139773	0	45	-1.0	-54.36	384.62	5.91	-48.45
CC1=CC(CSC2=NC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020139773	1	45	-1.0	-54.31	384.56	5.89	-48.42
O=C(C1=CC(C2=CC=CC=C2)=NN1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139774	0	50	-1.0	-46.87	402.00	9.19	-37.68
O=C(C1=CC(C2=CC=CC=C2)=NN1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139774	1	50	-1.0	-46.89	401.94	9.16	-37.73
O=C(C1=CC2=CC([N+](=O)[O-])=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139775	0	38	-1.0	-37.36	334.56	6.44	-30.92
O=C(C1=CC2=CC([N+](=O)[O-])=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139775	1	38	-1.0	-37.39	334.62	6.46	-30.93
O=C(C=CC1=C(Cl)N=C2SC=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139776	0	37	-1.0	-44.39	338.32	6.04	-38.35
O=C(C=CC1=C(Cl)N=C2SC=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139776	1	37	-1.0	-44.45	338.38	6.06	-38.39
CN1C2=C(C=CC=C2)C2=C1SC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020139777	0	43	-1.0	-41.77	360.41	7.39	-34.38
CN1C2=C(C=CC=C2)C2=C1SC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020139777	1	43	-1.0	-41.80	360.47	7.42	-34.38
O=C(CN1N=C(C2=CC=CC=C2)OC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139778	0	42	-1.0	-54.82	358.21	3.31	-51.51
O=C(CN1N=C(C2=CC=CC=C2)OC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139778	1	42	-1.0	-54.78	358.15	3.28	-51.50
O=C(C1=CC=CC=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139779	0	43	-1.0	-48.34	347.53	7.88	-40.46
O=C(C1=CC=CC=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139779	1	43	-1.0	-48.31	347.59	7.90	-40.41
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139780	0	44	-1.0	-43.81	363.09	7.18	-36.63
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139780	1	44	-1.0	-43.79	363.15	7.21	-36.58
O=C(C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139781	0	40	-1.0	-37.75	362.73	7.35	-30.40
O=C(C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139781	1	40	-1.0	-37.79	362.79	7.38	-30.41
O=C(C1=CC=C(C2=CC=CC=C2Cl)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139782	0	40	-1.0	-43.30	347.45	6.96	-36.34
O=C(C1=CC=C(C2=CC=CC=C2Cl)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139782	1	40	-1.0	-43.31	347.51	6.99	-36.32
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139783	0	39	-1.0	-45.09	351.13	6.60	-38.49
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139783	1	39	-1.0	-45.09	351.07	6.58	-38.51
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1Br	REAL300020139784	0	41	-1.0	-44.38	348.37	3.74	-40.64
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1Br	REAL300020139784	1	41	-1.0	-44.42	348.43	3.77	-40.65
CC(C)N1N=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C21	REAL300020139785	0	51	-1.0	-46.12	407.43	7.18	-38.94
CC(C)N1N=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C21	REAL300020139785	1	51	-1.0	-46.14	407.49	7.20	-38.94
O=C(C1=CN=CN1C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139786	0	40	-1.0	-45.89	330.49	6.94	-38.95
O=C(C1=CN=CN1C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139786	1	40	-1.0	-45.86	330.43	6.92	-38.94
O=C(C1=CC(C2=CC=CC=C2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139787	0	40	-1.0	-44.12	328.41	4.84	-39.28
O=C(C1=CC(C2=CC=CC=C2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139787	1	40	-1.0	-44.15	328.47	4.86	-39.29
COC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020139788	0	45	-1.0	-41.15	362.44	4.54	-36.61
COC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020139788	1	45	-1.0	-41.11	362.50	4.56	-36.55
CC1=NOC(C)=C1CSC1=NC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139789	0	48	-1.0	-41.83	404.82	6.56	-35.27
CC1=NOC(C)=C1CSC1=NC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139789	1	48	-1.0	-41.83	404.76	6.54	-35.29
O=C(C1=CC=CS1)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139790	0	42	-1.0	-54.55	364.10	6.99	-47.56
O=C(C1=CC=CS1)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139790	1	42	-1.0	-54.57	364.16	7.02	-47.55
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139791	0	41	-1.0	-54.12	340.06	5.09	-49.03
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139791	1	41	-1.0	-54.14	340.12	5.11	-49.03
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=C(N=CNC2=O)O1	REAL300020139792	0	38	-1.0	-59.96	323.92	1.33	-58.63
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=C(N=CNC2=O)O1	REAL300020139792	1	38	-1.0	-59.93	323.98	1.36	-58.57
O=C(C1=C(N2C=CC=C2)SC2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139793	0	48	-1.0	-48.35	386.24	9.18	-39.17
O=C(C1=C(N2C=CC=C2)SC2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139793	1	48	-1.0	-48.34	386.29	9.21	-39.13
CCS(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139794	0	41	-1.0	-63.03	336.17	5.34	-57.69
CCS(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139794	1	41	-1.0	-63.00	336.23	5.37	-57.63
O=C(C1=CC2=C(CCCCC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139795	0	43	-1.0	-38.88	341.04	6.66	-32.22
O=C(C1=CC2=C(CCCCC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139795	1	43	-1.0	-38.91	341.10	6.69	-32.22
O=C(C1=CC2=C(CCCC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139796	0	40	-1.0	-44.98	323.82	6.06	-38.92
O=C(C1=CC2=C(CCCC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139796	1	40	-1.0	-44.97	323.88	6.08	-38.89
O=C(C1=CC2=C(CCC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139797	0	37	-1.0	-38.60	306.11	5.44	-33.16
O=C(C1=CC2=C(CCC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139797	1	37	-1.0	-38.65	306.16	5.47	-33.18
CC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=C(C)C=C1	REAL300020139798	0	54	-1.0	-48.71	429.70	10.50	-38.21
CC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=C(C)C=C1	REAL300020139798	1	54	-1.0	-48.71	429.76	10.52	-38.19
O=C(C1=CC=C(C2=CC=C(F)C=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139799	0	40	-1.0	-45.17	344.66	7.18	-37.99
O=C(C1=CC=C(C2=CC=C(F)C=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139799	1	40	-1.0	-45.16	344.72	7.21	-37.95
CCCCC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139800	0	48	-1.0	-47.13	380.55	8.44	-38.69
CCCCC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139800	1	48	-1.0	-47.16	380.61	8.46	-38.70
O=C(C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139801	0	41	-1.0	-60.91	344.37	8.02	-52.89
O=C(C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139801	1	41	-1.0	-60.94	344.31	7.99	-52.95
O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139802	0	41	-1.0	-52.73	346.25	1.96	-50.77
O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139802	1	41	-1.0	-52.73	346.31	1.98	-50.75
CC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=C1	REAL300020139803	0	51	-1.0	-49.01	411.54	9.96	-39.05
CC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=C1	REAL300020139803	1	51	-1.0	-48.94	411.60	9.99	-38.95
O=C(C1=NC2=CC=CC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139804	0	37	-1.0	-45.69	306.21	3.68	-42.01
O=C(C1=NC2=CC=CC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139804	1	37	-1.0	-45.71	306.15	3.65	-42.06
CC1=CC=CC(C(=O)NC2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139805	0	50	-1.0	-47.72	403.03	7.40	-40.32
CC1=CC=CC(C(=O)NC2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139805	1	50	-1.0	-47.74	403.09	7.42	-40.32
O=C(CC12CC3CC(CC(O)(C3)C1)C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139806	0	51	-1.0	-45.26	360.39	4.01	-41.25
O=C(CC12CC3CC(CC(O)(C3)C1)C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139806	1	51	-1.0	-45.26	360.45	4.04	-41.22
O=C(C1=CC=C(SC(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139807	0	37	-1.0	-44.75	326.77	5.89	-38.86
O=C(C1=CC=C(SC(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139807	1	37	-1.0	-44.73	326.83	5.92	-38.81
CC1=NC(C2=CC=CC=C2)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020139808	0	42	-1.0	-46.17	358.40	6.03	-40.14
CC1=NC(C2=CC=CC=C2)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020139808	1	42	-1.0	-46.17	358.34	6.00	-40.17
COC1=CC=C2OC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020139809	0	43	-1.0	-44.35	345.98	5.14	-39.21
COC1=CC=C2OC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020139809	1	43	-1.0	-44.37	346.04	5.17	-39.20
CC(=O)CCC1=CC=C2OC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020139810	0	50	-1.0	-44.22	403.23	7.88	-36.34
CC(=O)CCC1=CC=C2OC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020139810	1	50	-1.0	-44.22	403.28	7.91	-36.31
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=C(Br)C=C21	REAL300020139811	0	39	-1.0	-38.69	337.01	6.37	-32.32
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=C(Br)C=C21	REAL300020139811	1	39	-1.0	-38.73	337.07	6.40	-32.33
CCOC1=CC=C2OC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020139812	0	46	-1.0	-44.03	367.83	6.07	-37.96
CCOC1=CC=C2OC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020139812	1	46	-1.0	-44.06	367.89	6.09	-37.97
COCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020139813	0	43	-1.0	-43.65	349.68	4.79	-38.86
COCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020139813	1	43	-1.0	-43.68	349.73	4.82	-38.86
CC(C)OCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020139814	0	49	-1.0	-43.69	391.80	6.51	-37.18
CC(C)OCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020139814	1	49	-1.0	-43.68	391.86	6.54	-37.14
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=C(F)C=C21	REAL300020139815	0	39	-1.0	-42.45	322.93	5.92	-36.53
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=C(F)C=C21	REAL300020139815	1	39	-1.0	-42.47	322.99	5.94	-36.53
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=C(F)C=CC=C12	REAL300020139816	0	39	-1.0	-44.61	322.86	5.91	-38.70
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=C(F)C=CC=C12	REAL300020139816	1	39	-1.0	-44.61	322.92	5.94	-38.67
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=C(Cl)C=C21	REAL300020139817	0	39	-1.0	-38.71	332.45	6.27	-32.44
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=C(Cl)C=C21	REAL300020139817	1	39	-1.0	-38.73	332.51	6.29	-32.44
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020139818	0	53	-1.0	-43.85	397.30	5.46	-38.39
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020139818	1	53	-1.0	-43.78	397.36	5.49	-38.29
CCC1=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020139819	0	46	-1.0	-40.36	377.01	8.02	-32.34
CCC1=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020139819	1	46	-1.0	-40.39	377.07	8.05	-32.34
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139820	0	46	-1.0	-49.17	374.96	7.46	-41.71
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139820	1	46	-1.0	-49.12	374.90	7.43	-41.69
O=C(CCCC1=CC=C(Br)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139821	0	39	-1.0	-48.77	349.47	6.84	-41.93
O=C(CCCC1=CC=C(Br)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139821	1	39	-1.0	-48.77	349.53	6.87	-41.90
CC(C)(C)OC(=O)NCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139822	0	49	-1.0	-48.95	382.67	3.00	-45.95
CC(C)(C)OC(=O)NCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139822	1	49	-1.0	-49.05	382.73	3.03	-46.02
O=C(CCSC1=NC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139823	0	42	-1.0	-51.71	370.15	6.42	-45.29
O=C(CCSC1=NC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139823	1	42	-1.0	-51.74	370.09	6.39	-45.35
CC(=O)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020139824	0	45	-1.0	-51.30	352.75	5.32	-45.98
CC(=O)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020139824	1	45	-1.0	-51.28	352.81	5.34	-45.94
O=C(C1=CC=CC=C1SCC1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139825	0	44	-1.0	-51.10	377.31	8.33	-42.77
O=C(C1=CC=CC=C1SCC1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139825	1	44	-1.0	-51.17	377.37	8.36	-42.81
O=C(C1=CC=CN=C1N1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139826	0	44	-1.0	-49.42	345.28	4.64	-44.78
O=C(C1=CC=CN=C1N1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139826	1	44	-1.0	-49.43	345.33	4.66	-44.77
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139827	0	44	-1.0	-51.75	359.88	5.67	-46.08
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139827	1	44	-1.0	-51.75	359.82	5.64	-46.11
CC(C)(C)C1=CC=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139828	0	49	-1.0	-49.22	374.76	7.87	-41.35
CC(C)(C)C1=CC=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139828	1	49	-1.0	-49.19	374.81	7.90	-41.29
COC1=CC=C(OC)C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139829	0	44	-1.0	-50.22	352.46	4.07	-46.15
COC1=CC=C(OC)C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139829	1	44	-1.0	-50.21	352.52	4.09	-46.12
CC1(C)NC(=O)N(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020139830	0	47	-1.0	-54.73	379.52	2.57	-52.16
CC1(C)NC(=O)N(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020139830	1	47	-1.0	-54.76	379.58	2.59	-52.17
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139831	0	47	-1.0	-53.90	393.76	9.31	-44.59
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139831	1	47	-1.0	-53.90	393.82	9.33	-44.57
O=C(C1=CC=C(N2C=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139832	0	41	-1.0	-46.14	330.68	7.20	-38.94
O=C(C1=CC=C(N2C=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139832	1	41	-1.0	-46.08	330.73	7.22	-38.86
O=C(CN1C=CC(=O)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139833	0	36	-1.0	-57.98	303.56	1.25	-56.73
O=C(CN1C=CC(=O)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139833	1	36	-1.0	-57.97	303.62	1.28	-56.69
CC1=CC=C(C2=NC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020139834	0	45	-1.0	-54.18	379.83	7.11	-47.07
CC1=CC=C(C2=NC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020139834	1	45	-1.0	-54.18	379.77	7.08	-47.10
CC1=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C(C#N)C(=O)N1	REAL300020139835	0	46	-1.0	-56.29	372.51	4.37	-51.92
CC1=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C(C#N)C(=O)N1	REAL300020139835	1	46	-1.0	-56.28	372.57	4.40	-51.88
O=C(C1=C(Cl)C2=C(SC=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139836	0	33	-1.0	-38.49	312.57	5.40	-33.09
O=C(C1=C(Cl)C2=C(SC=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139836	1	33	-1.0	-38.52	312.63	5.43	-33.09
CC1=CC=CC(C2=NC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020139837	0	45	-1.0	-54.13	379.81	7.10	-47.03
CC1=CC=CC(C2=NC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)=C1	REAL300020139837	1	45	-1.0	-54.17	379.76	7.07	-47.10
O=C(CN1C=NC2=C(OC3=CC=CC=C32)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139838	0	44	-1.0	-65.00	368.16	6.42	-58.58
O=C(CN1C=NC2=C(OC3=CC=CC=C32)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139838	1	44	-1.0	-64.99	368.10	6.39	-58.60
COC1=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020139839	0	47	-1.0	-48.07	375.07	4.85	-43.22
COC1=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020139839	1	47	-1.0	-48.05	375.13	4.88	-43.17
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC3CC(CC(C3)C1)C2	REAL300020139840	0	47	-1.0	-46.43	326.39	6.13	-40.30
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC3CC(CC(C3)C1)C2	REAL300020139840	1	47	-1.0	-46.43	326.44	6.15	-40.28
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020139841	0	40	-1.0	-46.27	319.98	4.48	-41.79
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020139841	1	40	-1.0	-46.27	320.04	4.51	-41.76
O=C(C1C2=CC=CC=C2OC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139842	0	45	-1.0	-51.68	357.78	7.47	-44.21
O=C(C1C2=CC=CC=C2OC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139842	1	45	-1.0	-51.69	357.83	7.50	-44.19
O=C(C1=CC=CC=C1OC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139843	0	44	-1.0	-52.55	359.59	7.55	-45.00
O=C(C1=CC=CC=C1OC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139843	1	44	-1.0	-52.52	359.65	7.57	-44.95
O=C(C1=CC(C2=CC=NC=C2)=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139844	0	47	-1.0	-46.90	381.43	6.70	-40.20
O=C(C1=CC(C2=CC=NC=C2)=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139844	1	47	-1.0	-46.96	381.48	6.72	-40.24
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2)CCCC1	REAL300020139845	0	46	-1.0	-45.71	355.36	8.11	-37.60
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2)CCCC1	REAL300020139845	1	46	-1.0	-45.73	355.42	8.14	-37.59
O=C(COC1=CC=C(N2CCCC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139846	0	48	-1.0	-54.82	381.43	6.47	-48.35
O=C(COC1=CC=C(N2CCCC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139846	1	48	-1.0	-54.79	381.49	6.49	-48.30
O=C(CCC1=CC=C(C2=CC=CC=C2F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139847	0	46	-1.0	-50.64	384.74	8.23	-42.41
O=C(CCC1=CC=C(C2=CC=CC=C2F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139847	1	46	-1.0	-50.62	384.79	8.26	-42.36
O=C(C1COC2=CC=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139848	0	41	-1.0	-44.55	325.04	5.16	-39.39
O=C(C1COC2=CC=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139848	1	41	-1.0	-44.54	325.10	5.19	-39.35
CC(=O)C1=C(C)OC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139849	0	44	-1.0	-47.87	358.71	5.70	-42.17
CC(=O)C1=C(C)OC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139849	1	44	-1.0	-47.87	358.76	5.72	-42.15
CC1=NN(C)C(C)=C1C(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139850	0	41	-1.0	-46.57	332.44	3.49	-43.08
CC1=NN(C)C(C)=C1C(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139850	1	41	-1.0	-46.56	332.50	3.52	-43.04
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020139851	0	43	-1.0	-48.66	342.63	6.05	-42.61
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020139851	1	43	-1.0	-48.64	342.69	6.07	-42.57
O=C(C1COC2=CC=C(Cl)C=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139852	0	41	-1.0	-43.45	341.78	5.66	-37.79
O=C(C1COC2=CC=C(Cl)C=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139852	1	41	-1.0	-43.46	341.84	5.69	-37.77
CC1=NC(C2=CNC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=CS1	REAL300020139853	0	40	-1.0	-41.46	341.32	4.17	-37.29
CC1=NC(C2=CNC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=CS1	REAL300020139853	1	40	-1.0	-41.48	341.38	4.20	-37.28
O=C(C1=CC=CC=C1NC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139854	0	45	-1.0	-48.28	359.34	6.71	-41.57
O=C(C1=CC=CC=C1NC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139854	1	45	-1.0	-48.28	359.40	6.74	-41.54
CC1=NN(CC(C)C)C(C)=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139855	0	54	-1.0	-47.89	419.64	7.44	-40.45
CC1=NN(CC(C)C)C(C)=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139855	1	54	-1.0	-47.89	419.70	7.46	-40.43
CC1=CC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020139856	0	45	-1.0	-56.55	370.53	5.84	-50.71
CC1=CC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020139856	1	45	-1.0	-56.56	370.58	5.87	-50.69
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300020139857	0	42	-1.0	-37.63	371.07	6.52	-31.11
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300020139857	1	42	-1.0	-37.65	371.02	6.49	-31.16
O=C(C1=CC2=CC=CC=C2C(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139858	0	39	-1.0	-46.38	326.13	3.64	-42.74
O=C(C1=CC2=CC=CC=C2C(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139858	1	39	-1.0	-46.42	326.19	3.67	-42.75
O=C(CCC1=NC2=CC=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139859	0	42	-1.0	-47.67	342.31	4.94	-42.73
O=C(CCC1=NC2=CC=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139859	1	42	-1.0	-47.71	342.37	4.97	-42.74
CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139860	0	45	-1.0	-59.24	362.03	7.02	-52.22
CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139860	1	45	-1.0	-59.30	362.09	7.04	-52.26
O=C(C1=CC2=C(S1)C1=C(C=CC=C1)S2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139861	0	39	-1.0	-40.46	344.88	7.34	-33.12
O=C(C1=CC2=C(S1)C1=C(C=CC=C1)S2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139861	1	39	-1.0	-40.47	344.94	7.36	-33.11
O=C(CCC1=NC(C2=CSC=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139862	0	41	-1.0	-46.99	357.23	3.79	-43.20
O=C(CCC1=NC(C2=CSC=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139862	1	41	-1.0	-46.99	357.17	3.77	-43.22
CC(=O)C1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020139863	0	45	-1.0	-53.40	371.51	6.80	-46.60
CC(=O)C1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020139863	1	45	-1.0	-53.42	371.57	6.83	-46.59
O=C(C1=CC=C(C2=NC3=CC=CC=C3S2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139864	0	42	-1.0	-50.90	365.31	6.13	-44.77
O=C(C1=CC=C(C2=NC3=CC=CC=C3S2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139864	1	42	-1.0	-50.93	365.26	6.10	-44.83
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=C1C=CC1=C2C=CC=C1	REAL300020139865	0	45	-1.0	-45.14	362.43	8.11	-37.03
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=C1C=CC1=C2C=CC=C1	REAL300020139865	1	45	-1.0	-45.11	362.48	8.14	-36.97
CC1=CC=CC(NC2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020139866	0	51	-1.0	-49.19	397.71	8.19	-41.00
CC1=CC=CC(NC2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020139866	1	51	-1.0	-49.20	397.77	8.22	-40.98
CN(C)C1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139867	0	47	-1.0	-46.69	368.62	6.68	-40.01
CN(C)C1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139867	1	47	-1.0	-46.72	368.67	6.71	-40.01
CC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=N1	REAL300020139868	0	38	-1.0	-47.02	326.45	4.36	-42.66
CC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=N1	REAL300020139868	1	38	-1.0	-46.99	326.51	4.39	-42.60
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020139869	0	39	-1.0	-42.65	315.78	5.75	-36.90
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020139869	1	39	-1.0	-42.63	315.84	5.77	-36.86
CNC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=NS1	REAL300020139870	0	37	-1.0	-43.87	316.00	1.80	-42.07
CNC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=NS1	REAL300020139870	1	37	-1.0	-43.83	316.05	1.82	-42.01
CCOC1=CC=CC=C1C(=O)NCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139871	0	53	-1.0	-53.61	421.83	6.16	-47.45
CCOC1=CC=CC=C1C(=O)NCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139871	1	53	-1.0	-53.57	421.88	6.19	-47.38
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139872	0	49	-1.0	-54.12	390.01	7.51	-46.61
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139872	1	49	-1.0	-54.06	390.07	7.53	-46.53
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139873	0	52	-1.0	-44.15	395.49	5.55	-38.60
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139873	1	52	-1.0	-44.11	395.54	5.57	-38.54
CCOC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139874	0	44	-1.0	-51.02	358.75	3.55	-47.47
CCOC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139874	1	44	-1.0	-51.00	358.81	3.58	-47.42
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2Cl)=NO1	REAL300020139875	0	42	-1.0	-44.42	360.61	7.02	-37.40
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2Cl)=NO1	REAL300020139875	1	42	-1.0	-44.39	360.55	6.99	-37.40
CC(=O)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020139876	0	43	-1.0	-47.30	328.00	3.53	-43.77
CC(=O)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020139876	1	43	-1.0	-47.27	328.06	3.56	-43.71
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139877	0	50	-1.0	-47.07	395.16	7.07	-40.00
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139877	1	50	-1.0	-47.07	395.22	7.10	-39.97
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139878	0	48	-1.0	-46.50	385.80	4.58	-41.92
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139878	1	48	-1.0	-46.47	385.86	4.61	-41.86
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139879	0	47	-1.0	-47.09	376.74	6.18	-40.91
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139879	1	47	-1.0	-47.08	376.79	6.21	-40.87
CCS(=O)(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020139880	0	47	-1.0	-50.58	372.00	2.18	-48.40
CCS(=O)(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020139880	1	47	-1.0	-50.60	372.06	2.20	-48.40
O=C(CC1=CSC(N2CCCC2=O)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139881	0	43	-1.0	-60.97	362.68	4.88	-56.09
O=C(CC1=CSC(N2CCCC2=O)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139881	1	43	-1.0	-60.97	362.74	4.90	-56.07
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139882	0	43	-1.0	-45.90	350.39	5.17	-40.73
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139882	1	43	-1.0	-45.91	350.44	5.20	-40.71
O=C(NC1=CC=CC=C1)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020139883	0	52	-1.0	-50.44	398.17	6.25	-44.19
O=C(NC1=CC=CC=C1)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020139883	1	52	-1.0	-50.47	398.22	6.27	-44.20
CON(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139884	0	45	-1.0	-49.12	377.61	2.42	-46.70
CON(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139884	1	45	-1.0	-49.11	377.67	2.45	-46.66
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139885	0	42	-1.0	-48.49	365.92	6.26	-42.23
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139885	1	42	-1.0	-48.52	365.97	6.28	-42.24
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020139886	0	51	-1.0	-46.03	410.27	9.47	-36.56
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020139886	1	51	-1.0	-46.03	410.33	9.50	-36.53
CC1=CC2=CC=CC=C2N1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139887	0	43	-1.0	-51.28	347.73	7.33	-43.95
CC1=CC2=CC=CC=C2N1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139887	1	43	-1.0	-51.29	347.78	7.36	-43.93
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139888	0	49	-1.0	-46.59	399.26	7.31	-39.28
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139888	1	49	-1.0	-46.63	399.32	7.33	-39.30
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139889	0	49	-1.0	-48.28	412.57	7.78	-40.50
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139889	1	49	-1.0	-48.28	412.63	7.80	-40.48
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139890	0	46	-1.0	-46.29	374.63	6.82	-39.47
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139890	1	46	-1.0	-46.27	374.69	6.85	-39.42
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139891	0	46	-1.0	-44.14	395.67	7.19	-36.95
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139891	1	46	-1.0	-44.13	395.73	7.22	-36.91
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139892	0	43	-1.0	-45.38	370.10	6.68	-38.70
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139892	1	43	-1.0	-45.38	370.16	6.71	-38.67
CC1CCN(C2=CC=C([N+](=O)[O-])C=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020139893	0	53	-1.0	-47.35	410.19	7.23	-40.12
CC1CCN(C2=CC=C([N+](=O)[O-])C=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020139893	1	53	-1.0	-47.41	410.25	7.26	-40.15
O=C(C1=CC=CC=C1N1CCCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139894	0	44	-1.0	-55.16	353.92	6.16	-49.00
O=C(C1=CC=CC=C1N1CCCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139894	1	44	-1.0	-55.18	353.98	6.19	-48.99
O=C(C1=CC=C2C(=O)N3CCCC3=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139895	0	45	-1.0	-45.71	361.95	5.72	-39.99
O=C(C1=CC=C2C(=O)N3CCCC3=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139895	1	45	-1.0	-45.69	362.01	5.74	-39.95
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139896	0	50	-1.0	-49.09	400.93	8.09	-41.00
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139896	1	50	-1.0	-49.13	400.99	8.12	-41.01
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139897	0	47	-1.0	-46.92	400.14	8.04	-38.88
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139897	1	47	-1.0	-46.93	400.19	8.07	-38.86
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=C1C(=O)N1CCCC1=N2	REAL300020139898	0	45	-1.0	-47.61	368.01	5.57	-42.04
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=C1C(=O)N1CCCC1=N2	REAL300020139898	1	45	-1.0	-47.65	368.07	5.59	-42.06
O=C(CC1=CSC(C2=CC=CC=C2Cl)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139899	0	42	-1.0	-53.19	368.76	6.73	-46.46
O=C(CC1=CSC(C2=CC=CC=C2Cl)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139899	1	42	-1.0	-53.17	368.70	6.70	-46.47
O=C(C1=CC(N2CCCC2)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139900	0	44	-1.0	-46.17	343.23	4.02	-42.15
O=C(C1=CC(N2CCCC2)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139900	1	44	-1.0	-46.14	343.29	4.05	-42.09
CC1=NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2N=C1C	REAL300020139901	0	43	-1.0	-50.30	344.46	3.93	-46.37
CC1=NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2N=C1C	REAL300020139901	1	43	-1.0	-50.32	344.51	3.96	-46.36
O=C(CC1=CSC(C2=CC=CN=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139902	0	41	-1.0	-56.63	353.44	4.67	-51.96
O=C(CC1=CSC(C2=CC=CN=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139902	1	41	-1.0	-56.63	353.38	4.65	-51.98
O=C(CC1=CSC(C2=CC=CS2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139903	0	39	-1.0	-54.60	350.05	5.46	-49.14
O=C(CC1=CSC(C2=CC=CS2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139903	1	39	-1.0	-54.56	349.99	5.43	-49.13
CCC1=CC=C(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020139904	0	45	-1.0	-45.28	377.29	7.52	-37.76
CCC1=CC=C(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020139904	1	45	-1.0	-45.28	377.23	7.50	-37.78
O=C(CCN1C=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139905	0	42	-1.0	-47.54	343.45	7.03	-40.51
O=C(CCN1C=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139905	1	42	-1.0	-47.58	343.51	7.05	-40.53
O=C(CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139906	0	44	-1.0	-54.80	369.35	4.83	-49.97
O=C(CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139906	1	44	-1.0	-54.80	369.40	4.85	-49.95
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139907	0	45	-1.0	-43.85	376.71	5.76	-38.09
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139907	1	45	-1.0	-43.87	376.77	5.79	-38.08
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139908	0	46	-1.0	-44.91	381.05	6.89	-38.02
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139908	1	46	-1.0	-44.92	381.11	6.92	-38.00
O=C(CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139909	0	44	-1.0	-45.73	383.74	5.42	-40.31
O=C(CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139909	1	44	-1.0	-45.74	383.69	5.40	-40.34
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=NO1	REAL300020139910	0	42	-1.0	-45.12	348.27	6.65	-38.47
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=NO1	REAL300020139910	1	42	-1.0	-45.11	348.21	6.63	-38.48
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=C(F)C=CC=C2Cl)=NO1	REAL300020139911	0	42	-1.0	-47.22	370.01	7.00	-40.22
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=C(F)C=CC=C2Cl)=NO1	REAL300020139911	1	42	-1.0	-47.22	369.96	6.97	-40.25
CC1=NOC(C(C)C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139912	0	41	-1.0	-42.56	335.74	4.93	-37.63
CC1=NOC(C(C)C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139912	1	41	-1.0	-42.59	335.79	4.95	-37.64
O=C(C1CCCN(C2=CN=CC=N2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139913	0	46	-1.0	-48.39	356.89	3.32	-45.07
O=C(C1CCCN(C2=CN=CC=N2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139913	1	46	-1.0	-48.41	356.83	3.29	-45.12
O=C(CN1C=C(Br)C(=O)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139914	0	36	-1.0	-55.48	324.20	1.89	-53.59
O=C(CN1C=C(Br)C(=O)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139914	1	36	-1.0	-55.45	324.26	1.91	-53.54
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=C1C(=O)N(C)C=N2	REAL300020139915	0	41	-1.0	-47.14	342.27	4.95	-42.19
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=C1C(=O)N(C)C=N2	REAL300020139915	1	41	-1.0	-47.14	342.33	4.98	-42.16
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139916	0	44	-1.0	-48.47	367.60	2.21	-46.26
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139916	1	44	-1.0	-48.47	367.66	2.23	-46.24
CC1=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2N1C1=CC=CC=C1	REAL300020139917	0	49	-1.0	-43.82	399.37	8.97	-34.85
CC1=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2N1C1=CC=CC=C1	REAL300020139917	1	49	-1.0	-43.85	399.43	9.00	-34.85
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139918	0	42	-1.0	-52.63	358.72	1.06	-51.57
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139918	1	42	-1.0	-52.64	358.78	1.09	-51.55
COC(=O)C1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(C(C)=O)=C1C	REAL300020139919	0	48	-1.0	-58.95	396.12	4.98	-53.97
COC(=O)C1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(C(C)=O)=C1C	REAL300020139919	1	48	-1.0	-58.96	396.17	5.01	-53.95
O=C(CCN1C(=O)CCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139920	0	39	-1.0	-53.73	321.41	2.89	-50.84
O=C(CCN1C(=O)CCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139920	1	39	-1.0	-53.72	321.47	2.92	-50.80
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139921	0	53	-1.0	-48.45	418.40	4.90	-43.55
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139921	1	53	-1.0	-48.43	418.46	4.92	-43.51
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020139922	0	35	-1.0	-45.69	304.78	4.05	-41.64
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020139922	1	35	-1.0	-45.65	304.83	4.08	-41.57
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020139923	0	47	-1.0	-46.18	382.35	8.35	-37.83
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020139923	1	47	-1.0	-46.20	382.41	8.37	-37.83
O=C(C1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139924	0	50	-1.0	-50.22	408.34	9.10	-41.12
O=C(C1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139924	1	50	-1.0	-50.23	408.28	9.08	-41.15
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139925	0	48	-1.0	-54.47	375.54	8.49	-45.98
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139925	1	48	-1.0	-54.47	375.60	8.51	-45.96
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139926	0	50	-1.0	-51.01	374.14	7.45	-43.56
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139926	1	50	-1.0	-50.97	374.20	7.48	-43.49
O=C(CCN1CCSC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139927	0	38	-1.0	-52.63	319.56	3.18	-49.45
O=C(CCN1CCSC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139927	1	38	-1.0	-52.64	319.62	3.20	-49.44
O=C(CN1C2=CC=CC=C2OCCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139928	0	45	-1.0	-57.64	360.54	4.87	-52.77
O=C(CN1C2=CC=CC=C2OCCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139928	1	45	-1.0	-57.65	360.60	4.90	-52.75
CN1CC(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020139929	0	38	-1.0	-55.41	317.45	2.31	-53.10
CN1CC(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020139929	1	38	-1.0	-55.43	317.51	2.34	-53.09
O=C(C1=CC(F)=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139930	0	33	-1.0	-44.37	295.82	5.09	-39.28
O=C(C1=CC(F)=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139930	1	33	-1.0	-44.42	295.88	5.11	-39.31
CC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020139931	0	47	-1.0	-45.36	374.68	7.29	-38.07
CC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020139931	1	47	-1.0	-45.36	374.74	7.31	-38.05
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OCC(N)=O	REAL300020139932	0	45	-1.0	-57.98	367.67	1.61	-56.37
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OCC(N)=O	REAL300020139932	1	45	-1.0	-57.98	367.73	1.64	-56.34
O=C(CN1C(=O)C=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139933	0	41	-1.0	-54.07	337.16	4.17	-49.90
O=C(CN1C(=O)C=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139933	1	41	-1.0	-54.09	337.10	4.14	-49.95
O=C(CN1C=NC2=C(C=CS2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139934	0	38	-1.0	-58.27	330.92	5.01	-53.26
O=C(CN1C=NC2=C(C=CS2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139934	1	38	-1.0	-58.24	330.87	4.99	-53.25
O=C(CCN1C=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139935	0	43	-1.0	-45.52	348.88	7.43	-38.09
O=C(CCN1C=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139935	1	43	-1.0	-45.54	348.93	7.46	-38.08
O=C(CC1=NOC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139936	0	38	-1.0	-54.24	318.06	4.78	-49.46
O=C(CC1=NOC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139936	1	38	-1.0	-54.29	318.11	4.80	-49.49
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139937	0	46	-1.0	-40.83	377.79	0.41	-40.42
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139937	1	46	-1.0	-40.87	377.85	0.43	-40.44
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139938	0	46	-1.0	-52.54	379.42	5.85	-46.69
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139938	1	46	-1.0	-52.52	379.48	5.87	-46.65
CCC1=C(C)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020139939	0	39	-1.0	-38.07	320.87	5.52	-32.55
CCC1=C(C)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020139939	1	39	-1.0	-38.06	320.93	5.55	-32.51
O=C(C1=CC2=C(CCCCCC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139940	0	46	-1.0	-38.13	349.34	6.93	-31.20
O=C(C1=CC2=C(CCCCCC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139940	1	46	-1.0	-38.10	349.40	6.96	-31.14
CCCC1=C(CC)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020139941	0	45	-1.0	-38.20	363.08	7.03	-31.17
CCCC1=C(CC)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020139941	1	45	-1.0	-38.19	363.13	7.06	-31.13
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)C1	REAL300020139942	0	52	-1.0	-37.75	392.01	8.05	-29.70
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)C1	REAL300020139942	1	52	-1.0	-37.80	392.07	8.08	-29.72
CC1CCC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)C1	REAL300020139943	0	43	-1.0	-38.01	343.74	6.61	-31.40
CC1CCC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)C1	REAL300020139943	1	43	-1.0	-38.01	343.80	6.63	-31.38
CCCC1=C(C)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139944	0	42	-1.0	-37.83	343.37	6.31	-31.52
CCCC1=C(C)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139944	1	42	-1.0	-37.82	343.42	6.34	-31.48
O=C(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139945	0	45	-1.0	-55.46	370.90	7.76	-47.70
O=C(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139945	1	45	-1.0	-55.43	370.96	7.78	-47.65
O=C(C1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139946	0	35	-1.0	-45.29	312.89	5.58	-39.71
O=C(C1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139946	1	35	-1.0	-45.28	312.95	5.61	-39.67
O=C(C1=CC(Cl)=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020139947	0	35	-1.0	-53.31	311.24	6.43	-46.88
O=C(C1=CC(Cl)=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020139947	1	35	-1.0	-53.30	311.30	6.46	-46.84
O=C(C1=C(Cl)C2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139948	0	36	-1.0	-40.16	321.67	6.36	-33.80
O=C(C1=C(Cl)C2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139948	1	36	-1.0	-40.15	321.73	6.38	-33.77
O=C(C1=C(Cl)C2=CC=C(Cl)C=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139949	0	36	-1.0	-37.45	338.02	6.83	-30.62
O=C(C1=C(Cl)C2=CC=C(Cl)C=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139949	1	36	-1.0	-37.44	338.07	6.85	-30.59
O=C(C1=C(Cl)C2=CC=C(F)C=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139950	0	36	-1.0	-37.70	327.72	6.40	-31.30
O=C(C1=C(Cl)C2=CC=C(F)C=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139950	1	36	-1.0	-37.70	327.78	6.42	-31.28
CCCCN1N=C(C)C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020139951	0	49	-1.0	-45.46	409.86	7.13	-38.33
CCCCN1N=C(C)C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020139951	1	49	-1.0	-45.47	409.91	7.15	-38.32
O=C(CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139952	0	49	-1.0	-59.41	403.08	7.48	-51.93
O=C(CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139952	1	49	-1.0	-59.40	403.13	7.50	-51.90
CC(=O)NC(=CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139953	0	44	-1.0	-55.57	359.50	6.58	-48.99
CC(=O)NC(=CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139953	1	44	-1.0	-55.56	359.56	6.60	-48.96
O=C(C1=CN(CC2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139954	0	43	-1.0	-50.63	353.67	6.04	-44.59
O=C(C1=CN(CC2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139954	1	43	-1.0	-50.63	353.61	6.02	-44.61
O=C(C1=CN(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139955	0	40	-1.0	-46.87	328.12	5.57	-41.30
O=C(C1=CN(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139955	1	40	-1.0	-46.89	328.07	5.55	-41.34
CC1=CC=C(OCC2=NC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020139956	0	49	-1.0	-57.19	411.37	6.59	-50.60
CC1=CC=C(OCC2=NC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020139956	1	49	-1.0	-57.18	411.42	6.62	-50.56
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020139957	0	36	-1.0	-44.95	297.54	5.31	-39.64
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020139957	1	36	-1.0	-44.96	297.60	5.33	-39.63
O=C(C1=CNC2=CC([N+](=O)[O-])=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139958	0	39	-1.0	-52.72	331.30	5.16	-47.56
O=C(C1=CNC2=CC([N+](=O)[O-])=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139958	1	39	-1.0	-52.75	331.35	5.19	-47.56
CC1=C(C)C2=C(N=CN(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=O)S1	REAL300020139959	0	44	-1.0	-57.72	368.71	6.40	-51.32
CC1=C(C)C2=C(N=CN(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=O)S1	REAL300020139959	1	44	-1.0	-57.72	368.76	6.43	-51.29
O=C(C1=CC=CC=C1SCC1=CC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139960	0	44	-1.0	-53.22	367.84	7.36	-45.86
O=C(C1=CC=CC=C1SCC1=CC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139960	1	44	-1.0	-53.21	367.90	7.39	-45.82
COC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020139961	0	43	-1.0	-48.98	344.28	5.49	-43.49
COC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020139961	1	43	-1.0	-49.00	344.34	5.52	-43.48
CSC1=CC=CC(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)=C1	REAL300020139962	0	48	-1.0	-58.00	384.75	6.51	-51.49
CSC1=CC=CC(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)=C1	REAL300020139962	1	48	-1.0	-58.06	384.81	6.53	-51.53
O=C(C1CC2=CC=CC=C2C(=O)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139963	0	40	-1.0	-41.86	325.27	6.28	-35.58
O=C(C1CC2=CC=CC=C2C(=O)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139963	1	40	-1.0	-41.89	325.33	6.30	-35.59
O=C(C1CC(=O)N(C2CCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139964	0	47	-1.0	-53.75	352.94	4.90	-48.85
O=C(C1CC(=O)N(C2CCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139964	1	47	-1.0	-53.76	353.00	4.92	-48.84
CCN(CC)S(=O)(=O)C1=CN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020139965	0	51	-1.0	-49.84	411.04	3.49	-46.35
CCN(CC)S(=O)(=O)C1=CN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020139965	1	51	-1.0	-49.83	411.10	3.52	-46.31
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020139966	0	47	-1.0	-54.91	391.93	2.04	-52.87
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020139966	1	47	-1.0	-54.90	391.98	2.07	-52.83
CC1=C(C)C=C2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=COC2=C1	REAL300020139967	0	45	-1.0	-51.74	361.57	7.02	-44.72
CC1=C(C)C=C2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=COC2=C1	REAL300020139967	1	45	-1.0	-51.71	361.63	7.04	-44.67
O=C(C1=CC2=C(S1)C1=CC=CC=C1CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139968	0	44	-1.0	-41.68	362.17	8.22	-33.46
O=C(C1=CC2=C(S1)C1=CC=CC=C1CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139968	1	44	-1.0	-41.65	362.23	8.25	-33.40
O=C(C1=CC2=C(S1)C1=CC=CC=C1OC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139969	0	42	-1.0	-41.53	352.71	6.34	-35.19
O=C(C1=CC2=C(S1)C1=CC=CC=C1OC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139969	1	42	-1.0	-41.52	352.76	6.36	-35.16
CSC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1C1=CC=C(F)C=C1	REAL300020139970	0	44	-1.0	-45.78	377.46	7.22	-38.56
CSC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1C1=CC=C(F)C=C1	REAL300020139970	1	44	-1.0	-45.77	377.40	7.20	-38.57
O=C(C1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139971	0	39	-1.0	-49.84	344.35	2.38	-47.46
O=C(C1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139971	1	39	-1.0	-49.88	344.40	2.40	-47.48
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)O1	REAL300020139972	0	42	-1.0	-43.91	345.14	4.98	-38.93
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CC=C2)O1	REAL300020139972	1	42	-1.0	-43.88	345.08	4.95	-38.93
O=C(CCCC1=NC2=CC=CC=C2C(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139973	0	47	-1.0	-57.96	382.14	5.50	-52.46
O=C(CCCC1=NC2=CC=CC=C2C(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139973	1	47	-1.0	-57.97	382.20	5.53	-52.44
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020139974	0	44	-1.0	-44.88	381.11	1.11	-43.77
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020139974	1	44	-1.0	-44.85	381.17	1.14	-43.71
CC1=NN(C)C(C)=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139975	0	45	-1.0	-48.64	357.99	5.03	-43.61
CC1=NN(C)C(C)=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139975	1	45	-1.0	-48.69	358.05	5.06	-43.63
O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139976	0	48	-1.0	-52.67	375.00	3.47	-49.20
O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139976	1	48	-1.0	-52.64	375.06	3.50	-49.14
CC1(C2=CC=CC=C2)NC(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020139977	0	48	-1.0	-54.54	389.83	4.43	-50.11
CC1(C2=CC=CC=C2)NC(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020139977	1	48	-1.0	-54.56	389.89	4.45	-50.11
CC1=CC=C(C2(C)NC(=O)N(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=O)C=C1	REAL300020139978	0	51	-1.0	-54.74	411.21	5.09	-49.65
CC1=CC=C(C2(C)NC(=O)N(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020139978	1	51	-1.0	-54.74	411.26	5.11	-49.63
CC1(C2CC2)NC(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020139979	0	45	-1.0	-53.80	363.88	3.32	-50.48
CC1(C2CC2)NC(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020139979	1	45	-1.0	-53.83	363.93	3.35	-50.48
CC1CC1C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020139980	0	44	-1.0	-48.79	356.22	7.08	-41.71
CC1CC1C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020139980	1	44	-1.0	-48.80	356.28	7.11	-41.69
COC1=CC(C#N)=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139981	0	42	-1.0	-55.83	353.62	5.50	-50.33
COC1=CC(C#N)=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139981	1	42	-1.0	-55.79	353.68	5.53	-50.26
CC1=CC=CC2=C1N=CN(CC(=O)N1CCCC(C3=NN=N[N-]3)C1)C2=O	REAL300020139982	0	44	-1.0	-57.78	360.54	6.76	-51.02
CC1=CC=CC2=C1N=CN(CC(=O)N1CCCC(C3=N[N-]N=N3)C1)C2=O	REAL300020139982	1	44	-1.0	-57.79	360.49	6.74	-51.05
CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020139983	0	43	-1.0	-52.75	347.03	7.08	-45.67
CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020139983	1	43	-1.0	-52.73	347.09	7.10	-45.63
O=C(C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139984	0	50	-1.0	-53.32	404.69	9.99	-43.33
O=C(C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139984	1	50	-1.0	-53.32	404.75	10.01	-43.31
O=C(C1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139985	0	44	-1.0	-46.31	363.83	7.31	-39.00
O=C(C1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139985	1	44	-1.0	-46.34	363.89	7.34	-39.00
CC1=NC(COC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=CS1	REAL300020139986	0	46	-1.0	-46.94	386.87	5.54	-41.40
CC1=NC(COC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=CS1	REAL300020139986	1	46	-1.0	-46.94	386.93	5.56	-41.38
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139987	0	45	-1.0	-46.74	359.95	6.92	-39.82
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139987	1	45	-1.0	-46.73	359.89	6.89	-39.84
CC1CC1C1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020139988	0	46	-1.0	-46.14	368.91	7.44	-38.70
CC1CC1C1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020139988	1	46	-1.0	-46.10	368.97	7.47	-38.63
O=C(CCN1N=NC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139989	0	43	-1.0	-50.91	357.58	3.58	-47.33
O=C(CCN1N=NC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139989	1	43	-1.0	-50.87	357.63	3.60	-47.27
O=C(CC1=COC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139990	0	42	-1.0	-56.79	350.57	4.06	-52.73
O=C(CC1=COC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139990	1	42	-1.0	-56.83	350.52	4.04	-52.79
O=C(C1=NOC(C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139991	0	39	-1.0	-42.95	325.71	6.05	-36.90
O=C(C1=NOC(C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139991	1	39	-1.0	-42.93	325.65	6.02	-36.91
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(F)C=C1	REAL300020139992	0	42	-1.0	-44.57	348.39	6.81	-37.76
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(F)C=C1	REAL300020139992	1	42	-1.0	-44.56	348.45	6.83	-37.73
O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139993	0	41	-1.0	-81.97	345.59	2.08	-79.89
O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139993	1	41	-1.0	-81.95	345.65	2.10	-79.85
CC1=NC(C2=CC=CS2)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139994	0	42	-1.0	-44.87	354.56	5.97	-38.90
CC1=NC(C2=CC=CS2)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139994	1	42	-1.0	-44.86	354.51	5.94	-38.92
CC(=O)N1CCC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020139995	0	44	-1.0	-49.95	346.38	5.32	-44.63
CC(=O)N1CCC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020139995	1	44	-1.0	-49.96	346.43	5.35	-44.61
O=C(C1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139996	0	45	-1.0	-56.76	366.32	2.91	-53.85
O=C(C1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139996	1	45	-1.0	-56.80	366.37	2.94	-53.86
O=C(CN1N=NC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139997	0	40	-1.0	-56.33	336.59	3.03	-53.30
O=C(CN1N=NC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139997	1	40	-1.0	-56.36	336.64	3.06	-53.30
CCOC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1OC	REAL300020139998	0	46	-1.0	-53.00	375.92	6.09	-46.91
CCOC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OC	REAL300020139998	1	46	-1.0	-53.01	375.98	6.12	-46.89
O=C(C1=NC=CN=C1C1=NC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139999	0	43	-1.0	-48.90	369.29	3.74	-45.16
O=C(C1=NC=CN=C1C1=NC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139999	1	43	-1.0	-48.91	369.35	3.77	-45.14
COC1=CC=C(C2=NC(C)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020140000	0	46	-1.0	-39.77	383.77	5.30	-34.47
COC1=CC=C(C2=NC(C)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020140000	1	46	-1.0	-39.77	383.71	5.27	-34.50
NC(=O)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020140001	0	42	-1.0	-48.55	320.65	0.97	-47.58
NC(=O)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020140001	1	42	-1.0	-48.53	320.71	1.00	-47.53
CSCC1=NC2=CC=CC=C2N1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140002	0	46	-1.0	-56.74	386.51	7.27	-49.47
CSCC1=NC2=CC=CC=C2N1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140002	1	46	-1.0	-56.79	386.57	7.29	-49.50
CN1C2=C(C(=O)N(C)C1=O)N(CCC(=O)N1CCCC(C3=N[N-]N=N3)C1)C=N2	REAL300020140003	0	48	-1.0	-52.41	390.17	6.09	-46.32
CN1C2=C(C(=O)N(C)C1=O)N(CCC(=O)N1CCCC(C3=NN=N[N-]3)C1)C=N2	REAL300020140003	1	48	-1.0	-52.41	390.23	6.11	-46.30
CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC(C3=N[N-]N=N3)C1)C2=O	REAL300020140004	0	51	-1.0	-53.69	391.08	3.72	-49.97
CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC(C3=NN=N[N-]3)C1)C2=O	REAL300020140004	1	51	-1.0	-53.72	391.13	3.75	-49.97
O=C(C1=CC2=C(Cl)C=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140005	0	36	-1.0	-46.38	323.31	6.32	-40.06
O=C(C1=CC2=C(Cl)C=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140005	1	36	-1.0	-46.38	323.37	6.34	-40.04
CCCN1C(=O)N(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020140006	0	52	-1.0	-51.28	418.59	8.33	-42.95
CCCN1C(=O)N(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020140006	1	52	-1.0	-51.27	418.65	8.36	-42.91
CC1=CC=C(C2=NN(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020140007	0	44	-1.0	-55.26	367.79	5.07	-50.19
CC1=CC=C(C2=NN(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020140007	1	44	-1.0	-55.29	367.85	5.10	-50.19
O=C(CCC1=NC(C2=CC=CS2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140008	0	41	-1.0	-47.40	357.93	3.91	-43.49
O=C(CCC1=NC(C2=CC=CS2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140008	1	41	-1.0	-47.38	357.87	3.88	-43.50
COC1=CC=C(Cl)C=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140009	0	40	-1.0	-48.08	339.71	5.30	-42.78
COC1=CC=C(Cl)C=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140009	1	40	-1.0	-48.13	339.76	5.33	-42.80
O=C(C1=CC=C(Cl)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140010	0	33	-1.0	-37.19	293.07	5.01	-32.18
O=C(C1=CC=C(Cl)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140010	1	33	-1.0	-37.15	293.12	5.04	-32.11
NC(=O)COC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140011	0	45	-1.0	-49.84	371.50	3.36	-46.48
NC(=O)COC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140011	1	45	-1.0	-49.88	371.56	3.38	-46.50
COCCN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300020140012	0	42	-1.0	-44.32	345.82	2.05	-42.27
COCCN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300020140012	1	42	-1.0	-44.34	345.88	2.07	-42.27
NC(=O)COC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140013	0	41	-1.0	-52.33	338.09	2.07	-50.26
NC(=O)COC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140013	1	41	-1.0	-52.32	338.15	2.09	-50.23
O=C(C1=CC=C(C2=CC=C(Cl)C=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140014	0	40	-1.0	-44.68	354.99	7.64	-37.04
O=C(C1=CC=C(C2=CC=C(Cl)C=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140014	1	40	-1.0	-44.67	355.04	7.66	-37.01
O=C(C1=CC=C(C2=CC=C3OCCOC3=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140015	0	46	-1.0	-47.87	382.76	6.28	-41.59
O=C(C1=CC=C(C2=CC=C3OCCOC3=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140015	1	46	-1.0	-47.87	382.81	6.31	-41.56
O=C(C1=CC2=C(F)C=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140016	0	36	-1.0	-47.22	313.81	5.91	-41.31
O=C(C1=CC2=C(F)C=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140016	1	36	-1.0	-47.24	313.87	5.94	-41.30
O=C(C1=CC=C(C2=CC=CC=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140017	0	40	-1.0	-40.52	338.28	7.13	-33.39
O=C(C1=CC=C(C2=CC=CC=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140017	1	40	-1.0	-40.52	338.34	7.15	-33.37
CC1=CC=CC2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN21	REAL300020140018	0	39	-1.0	-48.18	317.85	6.27	-41.91
CC1=CC=CC2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN21	REAL300020140018	1	39	-1.0	-48.18	317.79	6.25	-41.93
O=C(CC1=CSC(C2=CC=CC(F)=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140019	0	42	-1.0	-56.65	364.82	6.50	-50.15
O=C(CC1=CSC(C2=CC=CC(F)=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140019	1	42	-1.0	-56.64	364.76	6.48	-50.16
O=C(CC1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140020	0	42	-1.0	-52.32	375.15	6.95	-45.37
O=C(CC1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140020	1	42	-1.0	-52.31	375.09	6.93	-45.38
O=C(C1=NN(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140021	0	39	-1.0	-43.94	326.17	4.68	-39.26
O=C(C1=NN(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140021	1	39	-1.0	-43.96	326.11	4.65	-39.31
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=C1C(=O)CC(C)(C)C2	REAL300020140022	0	49	-1.0	-52.80	375.71	5.80	-47.00
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=C1C(=O)CC(C)(C)C2	REAL300020140022	1	49	-1.0	-52.87	375.77	5.83	-47.04
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL300020140023	0	49	-1.0	-45.85	399.70	5.77	-40.08
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL300020140023	1	49	-1.0	-45.85	399.76	5.79	-40.06
CCC1=C(C(=O)OC)C(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL300020140024	0	46	-1.0	-48.55	373.91	5.34	-43.21
CCC1=C(C(=O)OC)C(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL300020140024	1	46	-1.0	-48.57	373.96	5.36	-43.21
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=C1C(=O)CCC2	REAL300020140025	0	43	-1.0	-49.43	343.68	4.42	-45.01
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=C1C(=O)CCC2	REAL300020140025	1	43	-1.0	-49.46	343.74	4.44	-45.02
O=C(C1=CC2=CC(F)=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140026	0	36	-1.0	-37.76	313.77	5.92	-31.84
O=C(C1=CC2=CC(F)=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140026	1	36	-1.0	-37.74	313.83	5.95	-31.79
O=C(C1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140027	0	47	-1.0	-47.34	376.34	7.43	-39.91
O=C(C1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140027	1	47	-1.0	-47.34	376.39	7.46	-39.88
O=C(CC1=CSC(C2=CC=CC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140028	0	41	-1.0	-60.40	353.78	4.54	-55.86
O=C(CC1=CSC(C2=CC=CC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140028	1	41	-1.0	-60.38	353.84	4.57	-55.81
O=C(C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140029	0	48	-1.0	-51.22	395.94	6.80	-44.42
O=C(C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140029	1	48	-1.0	-51.22	395.88	6.78	-44.44
O=C(C1=CC=C(Br)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140030	0	33	-1.0	-37.08	297.63	5.11	-31.97
O=C(C1=CC=C(Br)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140030	1	33	-1.0	-37.11	297.69	5.14	-31.97
O=C(C1=CC(Cl)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140031	0	33	-1.0	-46.72	293.43	5.02	-41.70
O=C(C1=CC(Cl)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140031	1	33	-1.0	-46.70	293.49	5.04	-41.66
CCCCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140032	0	45	-1.0	-45.47	356.38	7.44	-38.03
CCCCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140032	1	45	-1.0	-45.45	356.44	7.47	-37.98
O=C(C1=CC=C2CC3=CC=CC=C3C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140033	0	44	-1.0	-46.27	354.79	8.56	-37.71
O=C(C1=CC=C2CC3=CC=CC=C3C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140033	1	44	-1.0	-46.36	354.85	8.58	-37.78
CCN1C(=O)C2=CC=CC=C2N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020140034	0	48	-1.0	-55.21	386.28	6.43	-48.78
CCN1C(=O)C2=CC=CC=C2N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020140034	1	48	-1.0	-55.29	386.33	6.45	-48.84
CC1=CC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1F	REAL300020140035	0	45	-1.0	-48.99	378.67	6.29	-42.70
CC1=CC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1F	REAL300020140035	1	45	-1.0	-49.02	378.73	6.31	-42.71
O=C(CC1=CSC(NC(=O)C2=CC=CO2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140036	0	43	-1.0	-55.47	374.45	3.73	-51.74
O=C(CC1=CSC(NC(=O)C2=CC=CO2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140036	1	43	-1.0	-55.44	374.39	3.70	-51.74
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020140037	0	35	-1.0	-40.46	315.68	-1.65	-42.11
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020140037	1	35	-1.0	-40.47	315.74	-1.62	-42.09
NC(=O)CSC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140038	0	41	-1.0	-49.09	346.11	2.32	-46.77
NC(=O)CSC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140038	1	41	-1.0	-49.12	346.17	2.35	-46.77
COC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OCC(N)=O	REAL300020140039	0	49	-1.0	-60.44	400.67	3.11	-57.33
COC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OCC(N)=O	REAL300020140039	1	49	-1.0	-60.43	400.73	3.14	-57.29
O=C(C1=CC2=CC=CC=C2OC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140040	0	39	-1.0	-38.96	320.88	5.09	-33.87
O=C(C1=CC2=CC=CC=C2OC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140040	1	39	-1.0	-38.97	320.94	5.12	-33.85
O=C(C1=CSC(C2=CC=C(F)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140041	0	39	-1.0	-45.50	340.81	6.15	-39.35
O=C(C1=CSC(C2=CC=C(F)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140041	1	39	-1.0	-45.49	340.75	6.13	-39.36
O=C(COC1=CC=CC(N2CCCC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140042	0	48	-1.0	-64.57	381.39	6.47	-58.10
O=C(COC1=CC=CC(N2CCCC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140042	1	48	-1.0	-64.59	381.45	6.49	-58.10
CC1=NC(COC2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020140043	0	46	-1.0	-52.01	387.48	5.81	-46.20
CC1=NC(COC2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020140043	1	46	-1.0	-52.01	387.54	5.83	-46.18
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140044	0	37	-1.0	-40.95	311.45	3.89	-37.06
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140044	1	37	-1.0	-40.94	311.51	3.92	-37.02
CCOC1=CC([N+](=O)[O-])=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020140045	0	46	-1.0	-53.46	374.99	6.04	-47.42
CCOC1=CC([N+](=O)[O-])=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020140045	1	46	-1.0	-53.46	375.05	6.07	-47.39
O=C(C1=CC=CC=C1OCC1=CSC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140046	0	43	-1.0	-51.45	365.53	5.10	-46.35
O=C(C1=CC=CC=C1OCC1=CSC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140046	1	43	-1.0	-51.48	365.59	5.12	-46.36
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=C(N=CN(C)C2=O)O1	REAL300020140047	0	41	-1.0	-60.55	344.06	3.08	-57.47
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=C(N=CN(C)C2=O)O1	REAL300020140047	1	41	-1.0	-60.52	344.00	3.06	-57.46
CC(C)NC(=O)NC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140048	0	48	-1.0	-47.02	382.97	3.91	-43.11
CC(C)NC(=O)NC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140048	1	48	-1.0	-46.99	383.03	3.93	-43.06
O=C(C1=CC(Br)=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140049	0	31	-1.0	-46.70	275.81	3.37	-43.33
O=C(C1=CC(Br)=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140049	1	31	-1.0	-46.67	275.87	3.40	-43.27
COC1=CC=C(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020140050	0	43	-1.0	-46.11	363.90	5.39	-40.72
COC1=CC=C(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020140050	1	43	-1.0	-46.11	363.84	5.36	-40.75
O=C(C1=CN=C2SC=CN2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140051	0	35	-1.0	-57.55	309.89	3.61	-53.94
O=C(C1=CN=C2SC=CN2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140051	1	35	-1.0	-57.49	309.83	3.59	-53.90
O=C(C1=CN=C2SCCN2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140052	0	37	-1.0	-47.44	313.45	3.25	-44.19
O=C(C1=CN=C2SCCN2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140052	1	37	-1.0	-47.47	313.40	3.22	-44.25
O=C(C1=CC2=CC(Cl)=CC=C2OC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140053	0	39	-1.0	-38.57	337.20	5.58	-32.99
O=C(C1=CC2=CC(Cl)=CC=C2OC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140053	1	39	-1.0	-38.53	337.26	5.61	-32.92
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1CC1=CC=CC=C1	REAL300020140054	0	50	-1.0	-49.62	394.47	8.89	-40.73
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1CC1=CC=CC=C1	REAL300020140054	1	50	-1.0	-49.64	394.53	8.92	-40.72
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1S(N)(=O)=O	REAL300020140055	0	41	-1.0	-55.71	339.71	0.11	-55.60
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1S(N)(=O)=O	REAL300020140055	1	41	-1.0	-55.69	339.77	0.14	-55.55
CC1=NC(CSCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020140056	0	39	-1.0	-51.75	345.71	4.55	-47.20
CC1=NC(CSCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020140056	1	39	-1.0	-51.74	345.77	4.58	-47.16
O=C(CCSC1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140057	0	40	-1.0	-46.28	340.63	6.74	-39.54
O=C(CCSC1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140057	1	40	-1.0	-46.31	340.68	6.77	-39.54
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140058	0	40	-1.0	-44.45	330.77	4.09	-40.36
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140058	1	40	-1.0	-44.52	330.83	4.12	-40.40
C#CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140059	0	43	-1.0	-53.39	373.34	1.93	-51.46
C#CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140059	1	43	-1.0	-53.33	373.40	1.96	-51.37
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OCC(N)=O	REAL300020140060	0	49	-1.0	-52.43	400.35	1.40	-51.03
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OCC(N)=O	REAL300020140060	1	49	-1.0	-52.43	400.40	1.43	-51.00
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140061	0	37	-1.0	-36.61	336.96	6.97	-29.64
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140061	1	37	-1.0	-36.61	337.02	6.99	-29.62
COC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020140062	0	43	-1.0	-48.41	351.83	5.63	-42.78
COC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020140062	1	43	-1.0	-48.38	351.89	5.66	-42.72
O=C(CSC1=NC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140063	0	39	-1.0	-50.27	338.73	2.94	-47.33
O=C(CSC1=NC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140063	1	39	-1.0	-50.25	338.67	2.91	-47.34
O=C(CSC1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140064	0	37	-1.0	-50.30	328.20	6.40	-43.90
O=C(CSC1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140064	1	37	-1.0	-50.34	328.26	6.43	-43.91
CCOC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC	REAL300020140065	0	48	-1.0	-50.00	383.94	6.07	-43.93
CCOC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC	REAL300020140065	1	48	-1.0	-50.02	384.00	6.10	-43.92
O=C(C1=CC=CC=C1OCC1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140066	0	47	-1.0	-50.69	391.84	9.14	-41.55
O=C(C1=CC=CC=C1OCC1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140066	1	47	-1.0	-50.68	391.90	9.17	-41.51
COC1=CC=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140067	0	43	-1.0	-47.27	345.57	5.54	-41.73
COC1=CC=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140067	1	43	-1.0	-47.29	345.63	5.57	-41.72
O=C(COC1=CC(Cl)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140068	0	37	-1.0	-50.12	336.35	6.41	-43.71
O=C(COC1=CC(Cl)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140068	1	37	-1.0	-50.10	336.40	6.43	-43.67
O=C(C1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140069	0	33	-1.0	-41.85	302.36	5.41	-36.44
O=C(C1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140069	1	33	-1.0	-41.86	302.42	5.43	-36.43
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020140070	0	45	-1.0	-45.69	361.76	3.56	-42.13
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020140070	1	45	-1.0	-45.68	361.82	3.59	-42.09
O=C(C1=CC(=O)C2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140071	0	38	-1.0	-40.50	319.26	4.99	-35.51
O=C(C1=CC(=O)C2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140071	1	38	-1.0	-40.53	319.32	5.01	-35.52
COC1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140072	0	43	-1.0	-50.03	345.52	6.33	-43.70
COC1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140072	1	43	-1.0	-50.05	345.58	6.36	-43.69
O=C(COC1=CC=CC=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140073	0	47	-1.0	-52.70	382.32	9.05	-43.65
O=C(COC1=CC=CC=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140073	1	47	-1.0	-52.70	382.38	9.07	-43.63
O=C(CCOC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140074	0	40	-1.0	-46.18	324.53	5.07	-41.11
O=C(CCOC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140074	1	40	-1.0	-46.19	324.59	5.09	-41.10
COC1=CC2=NC(C)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020140075	0	45	-1.0	-47.79	359.74	4.75	-43.04
COC1=CC2=NC(C)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020140075	1	45	-1.0	-47.81	359.80	4.78	-43.03
COC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020140076	0	48	-1.0	-53.48	386.61	4.57	-48.91
COC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020140076	1	48	-1.0	-53.48	386.67	4.59	-48.89
CC1=CC=C(C)C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140077	0	43	-1.0	-50.05	345.07	6.73	-43.32
CC1=CC=C(C)C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140077	1	43	-1.0	-50.05	345.13	6.75	-43.30
CC(C)COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140078	0	46	-1.0	-45.42	363.39	6.17	-39.25
CC(C)COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140078	1	46	-1.0	-45.45	363.45	6.19	-39.26
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1CC(F)(F)F	REAL300020140079	0	43	-1.0	-50.07	353.04	6.27	-43.80
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1CC(F)(F)F	REAL300020140079	1	43	-1.0	-50.07	353.09	6.30	-43.77
O=C(CN1N=C(C2=CC=CS2)OC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140080	0	39	-1.0	-54.84	349.17	2.31	-52.53
O=C(CN1N=C(C2=CC=CS2)OC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140080	1	39	-1.0	-54.83	349.11	2.28	-52.55
O=C(CNC(=O)C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140081	0	40	-1.0	-44.19	335.45	3.29	-40.90
O=C(CNC(=O)C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140081	1	40	-1.0	-44.21	335.51	3.31	-40.90
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140082	0	46	-1.0	-45.25	358.23	2.98	-42.27
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140082	1	46	-1.0	-45.27	358.29	3.00	-42.27
CC(C)(C)C1=CC=C(C(=O)NCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140083	0	55	-1.0	-56.72	427.29	6.22	-50.50
CC(C)(C)C1=CC=C(C(=O)NCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140083	1	55	-1.0	-56.68	427.34	6.24	-50.44
COC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140084	0	43	-1.0	-46.67	345.60	5.56	-41.11
COC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140084	1	43	-1.0	-46.70	345.66	5.58	-41.12
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140085	0	39	-1.0	-51.57	331.14	1.98	-49.59
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140085	1	39	-1.0	-51.61	331.20	2.01	-49.60
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140086	0	46	-1.0	-47.48	376.32	8.12	-39.36
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140086	1	46	-1.0	-47.49	376.38	8.15	-39.34
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020140087	0	38	-1.0	-44.08	313.90	5.60	-38.48
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020140087	1	38	-1.0	-44.06	313.95	5.63	-38.43
CN(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140088	0	44	-1.0	-50.73	378.17	2.87	-47.86
CN(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140088	1	44	-1.0	-50.75	378.22	2.90	-47.85
O=C(C1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140089	0	36	-1.0	-43.78	309.20	5.44	-38.34
O=C(C1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140089	1	36	-1.0	-43.77	309.26	5.47	-38.30
CC1=CC=C(C(C)C)C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140090	0	49	-1.0	-50.26	383.61	7.98	-42.28
CC1=CC=C(C(C)C)C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140090	1	49	-1.0	-50.25	383.67	8.01	-42.24
O=C(CCOC1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140091	0	40	-1.0	-46.34	330.77	5.14	-41.20
O=C(CCOC1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140091	1	40	-1.0	-46.32	330.82	5.17	-41.15
O=C(CCC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140092	0	39	-1.0	-45.21	332.83	6.78	-38.43
O=C(CCC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140092	1	39	-1.0	-45.17	332.89	6.80	-38.37
N#CC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140093	0	40	-1.0	-48.01	336.95	6.65	-41.36
N#CC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140093	1	40	-1.0	-48.02	337.01	6.68	-41.34
O=C(CC1=CC(Cl)=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140094	0	42	-1.0	-51.53	355.14	5.12	-46.41
O=C(CC1=CC(Cl)=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140094	1	42	-1.0	-51.50	355.20	5.15	-46.35
O=C(CCCC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140095	0	48	-1.0	-46.41	358.35	7.19	-39.22
O=C(CCCC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140095	1	48	-1.0	-46.42	358.40	7.21	-39.21
O=C(C1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140096	0	35	-1.0	-51.24	298.76	5.11	-46.13
O=C(C1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140096	1	35	-1.0	-51.24	298.82	5.14	-46.10
COC1=CC=CC=C1OCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140097	0	44	-1.0	-47.86	353.78	4.97	-42.89
COC1=CC=CC=C1OCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140097	1	44	-1.0	-47.88	353.84	4.99	-42.89
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1CCCCC1	REAL300020140098	0	53	-1.0	-41.20	390.83	8.13	-33.07
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1CCCCC1	REAL300020140098	1	53	-1.0	-41.20	390.89	8.16	-33.04
CCN1C(C)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020140099	0	43	-1.0	-48.36	336.73	5.94	-42.42
CCN1C(C)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020140099	1	43	-1.0	-48.38	336.79	5.97	-42.41
CNS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140100	0	45	-1.0	-42.88	380.05	2.11	-40.77
CNS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140100	1	45	-1.0	-42.91	380.11	2.13	-40.78
COC(=O)C1=C(C)NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020140101	0	43	-1.0	-45.81	357.58	4.12	-41.69
COC(=O)C1=C(C)NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020140101	1	43	-1.0	-45.85	357.64	4.14	-41.71
O=C(C1=CSC2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140102	0	40	-1.0	-46.30	323.40	6.09	-40.21
O=C(C1=CSC2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140102	1	40	-1.0	-46.32	323.46	6.11	-40.21
CC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300020140103	0	46	-1.0	-57.17	340.92	4.40	-52.77
CC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020140103	1	46	-1.0	-57.21	340.98	4.42	-52.79
O=C(C1=CN(CC2=CC=CC=C2Cl)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140104	0	43	-1.0	-47.44	366.49	6.50	-40.94
O=C(C1=CN(CC2=CC=CC=C2Cl)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140104	1	43	-1.0	-47.42	366.43	6.47	-40.95
NC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140105	0	49	-1.0	-55.40	388.25	2.67	-52.73
NC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140105	1	49	-1.0	-55.44	388.31	2.70	-52.74
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140106	0	50	-1.0	-58.36	396.62	3.05	-55.31
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140106	1	50	-1.0	-58.38	396.68	3.08	-55.30
CC1OC2=CC=CC=C2N(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020140107	0	48	-1.0	-49.61	381.44	5.28	-44.33
CC1OC2=CC=CC=C2N(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020140107	1	48	-1.0	-49.62	381.50	5.31	-44.31
O=C(C1=CC=C(C#CC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140108	0	45	-1.0	-46.27	379.47	9.62	-36.65
O=C(C1=CC=C(C#CC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140108	1	45	-1.0	-46.28	379.53	9.64	-36.64
CS(=O)(=O)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140109	0	44	-1.0	-50.60	338.63	2.16	-48.44
CS(=O)(=O)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140109	1	44	-1.0	-50.62	338.69	2.19	-48.43
CS(=O)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140110	0	41	-1.0	-64.59	345.59	3.66	-60.93
CS(=O)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140110	1	41	-1.0	-64.61	345.64	3.68	-60.93
CC1=CC=C(NC2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140111	0	48	-1.0	-48.51	383.59	7.52	-40.99
CC1=CC=C(NC2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140111	1	48	-1.0	-48.50	383.65	7.55	-40.95
C=CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020140112	0	48	-1.0	-45.98	385.22	5.70	-40.28
C=CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020140112	1	48	-1.0	-45.98	385.28	5.72	-40.26
CC(C)=CC1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020140113	0	46	-1.0	-47.15	349.42	6.85	-40.30
CC(C)=CC1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020140113	1	46	-1.0	-47.15	349.48	6.88	-40.27
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140114	0	45	-1.0	-49.12	366.86	3.81	-45.31
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140114	1	45	-1.0	-49.13	366.91	3.83	-45.30
COC1=CC=C(C)C=C1N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020140115	0	51	-1.0	-50.97	404.56	5.87	-45.10
COC1=CC=C(C)C=C1N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020140115	1	51	-1.0	-50.93	404.62	5.89	-45.04
O=C(C1=CSC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140116	0	39	-1.0	-45.89	334.11	6.06	-39.83
O=C(C1=CSC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140116	1	39	-1.0	-45.93	334.06	6.03	-39.90
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300020140117	0	42	-1.0	-39.39	370.02	6.54	-32.85
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300020140117	1	42	-1.0	-39.38	369.96	6.52	-32.86
O=C(CC1=CSC(C2=CSC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140118	0	39	-1.0	-53.06	349.46	5.36	-47.70
O=C(CC1=CSC(C2=CSC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140118	1	39	-1.0	-53.12	349.40	5.34	-47.78
CN1C=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140119	0	34	-1.0	-43.70	293.64	4.48	-39.22
CN1C=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140119	1	34	-1.0	-43.70	293.70	4.50	-39.20
O=C(C1CC(=O)N(C2=CC=CC3=CC=CC=C32)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140120	0	50	-1.0	-51.30	398.71	8.45	-42.85
O=C(C1CC(=O)N(C2=CC=CC3=CC=CC=C32)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140120	1	50	-1.0	-51.27	398.77	8.48	-42.79
O=C(NC1=CC=CC=C1)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140121	0	49	-1.0	-54.98	394.61	5.65	-49.33
O=C(NC1=CC=CC=C1)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140121	1	49	-1.0	-54.98	394.67	5.67	-49.31
O=C(NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1)C1=CC=CC=C1	REAL300020140122	0	50	-1.0	-46.18	404.37	6.92	-39.26
O=C(NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1)C1=CC=CC=C1	REAL300020140122	1	50	-1.0	-46.15	404.42	6.95	-39.20
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=C1OC(C)C2	REAL300020140123	0	45	-1.0	-47.46	357.01	4.34	-43.12
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=C1OC(C)C2	REAL300020140123	1	45	-1.0	-47.44	357.07	4.36	-43.08
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020140124	0	56	-1.0	-52.73	402.62	5.78	-46.95
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020140124	1	56	-1.0	-52.76	402.68	5.81	-46.95
CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020140125	0	43	-1.0	-50.13	345.06	6.73	-43.40
CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020140125	1	43	-1.0	-50.16	345.12	6.75	-43.41
CC(C)(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C(C)(C)C)=C1O	REAL300020140126	0	58	-1.0	-45.49	420.28	7.13	-38.36
CC(C)(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C(C)(C)C)=C1O	REAL300020140126	1	58	-1.0	-45.46	420.34	7.16	-38.30
CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140127	0	44	-1.0	-52.82	369.75	2.45	-50.37
CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140127	1	44	-1.0	-52.76	369.81	2.48	-50.28
CCOC1=CC=CC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140128	0	44	-1.0	-50.84	353.68	6.22	-44.62
CCOC1=CC=CC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140128	1	44	-1.0	-50.84	353.74	6.25	-44.59
CC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020140129	0	40	-1.0	-47.60	338.88	7.02	-40.58
CC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020140129	1	40	-1.0	-47.61	338.94	7.05	-40.56
CC1=CC=CC(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140130	0	43	-1.0	-46.15	345.94	5.74	-40.41
CC1=CC=CC(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140130	1	43	-1.0	-46.11	346.00	5.77	-40.34
O=C(CNC(=O)C1=CC=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140131	0	40	-1.0	-44.63	350.35	3.83	-40.80
O=C(CNC(=O)C1=CC=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140131	1	40	-1.0	-44.70	350.41	3.86	-40.84
COC1=CC=C(SCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140132	0	44	-1.0	-46.47	364.33	5.99	-40.48
COC1=CC=C(SCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140132	1	44	-1.0	-46.48	364.39	6.02	-40.46
O=C(C1=CC=C2CCC3=C2C1=CC=C3)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140133	0	43	-1.0	-50.46	339.08	7.80	-42.66
O=C(C1=CC=C2CCC3=C2C1=CC=C3)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140133	1	43	-1.0	-50.47	339.14	7.83	-42.64
O=C(C1=CC=C(F)C=C1)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020140134	0	50	-1.0	-47.81	392.27	6.43	-41.38
O=C(C1=CC=C(F)C=C1)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020140134	1	50	-1.0	-47.84	392.32	6.45	-41.39
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(CC2=CC=C(F)C=C2)=N1	REAL300020140135	0	45	-1.0	-40.19	383.27	6.81	-33.38
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(CC2=CC=C(F)C=C2)=N1	REAL300020140135	1	45	-1.0	-40.23	383.33	6.84	-33.39
O=C(C=CC1=CC(Cl)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140136	0	37	-1.0	-46.76	334.45	6.88	-39.88
O=C(C=CC1=CC(Cl)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140136	1	37	-1.0	-46.77	334.50	6.90	-39.87
O=C(CC1=CC(F)=CC2=C1OCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140137	0	42	-1.0	-51.34	344.42	4.64	-46.70
O=C(CC1=CC(F)=CC2=C1OCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140137	1	42	-1.0	-51.37	344.48	4.67	-46.70
O=C(CCN1C=NC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140138	0	44	-1.0	-52.19	361.39	6.42	-45.77
O=C(CCN1C=NC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140138	1	44	-1.0	-52.23	361.34	6.40	-45.83
COC1=CC=C2C(=C1)OC(=O)C(CCC(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2C	REAL300020140139	0	51	-1.0	-56.42	405.95	7.44	-48.98
COC1=CC=C2C(=C1)OC(=O)C(CCC(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2C	REAL300020140139	1	51	-1.0	-56.39	406.00	7.46	-48.93
CC1=CC=CC2=C1N=CN(CCC(=O)N1CCCC(C3=NN=N[N-]3)C1)C2=O	REAL300020140140	0	47	-1.0	-51.79	381.57	7.25	-44.54
CC1=CC=CC2=C1N=CN(CCC(=O)N1CCCC(C3=N[N-]N=N3)C1)C2=O	REAL300020140140	1	47	-1.0	-51.77	381.51	7.23	-44.54
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C2C=NN(C(C)C)C2=N1	REAL300020140141	0	47	-1.0	-45.94	375.15	5.75	-40.19
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C2C=NN(C(C)C)C2=N1	REAL300020140141	1	47	-1.0	-46.03	375.21	5.77	-40.26
O=C(C1=CC=C2NC(=O)CCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140142	0	41	-1.0	-48.18	330.34	3.63	-44.55
O=C(C1=CC=C2NC(=O)CCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140142	1	41	-1.0	-48.23	330.40	3.66	-44.57
COC1=CC=C(N2C(C)=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C)C=C1	REAL300020140143	0	51	-1.0	-47.78	408.15	7.78	-40.00
COC1=CC=C(N2C(C)=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C)C=C1	REAL300020140143	1	51	-1.0	-47.81	408.21	7.80	-40.01
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140144	0	39	-1.0	-51.93	329.46	-1.24	-53.17
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140144	1	39	-1.0	-51.96	329.52	-1.22	-53.18
CSC1=CC=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140145	0	39	-1.0	-55.82	334.68	6.94	-48.88
CSC1=CC=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140145	1	39	-1.0	-55.84	334.74	6.97	-48.87
O=C(CC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140146	0	39	-1.0	-47.76	333.40	6.44	-41.32
O=C(CC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140146	1	39	-1.0	-47.79	333.45	6.46	-41.33
COC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020140147	0	41	-1.0	-49.36	348.89	5.80	-43.56
COC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020140147	1	41	-1.0	-49.39	348.95	5.82	-43.57
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1)C1=CC=CN=C1	REAL300020140148	0	46	-1.0	-49.55	374.72	4.65	-44.90
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1)C1=CC=CN=C1	REAL300020140148	1	46	-1.0	-49.52	374.66	4.62	-44.90
CC(C)(C)C(=O)N1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140149	0	49	-1.0	-60.12	360.77	5.49	-54.63
CC(C)(C)C(=O)N1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140149	1	49	-1.0	-60.09	360.83	5.52	-54.57
O=C(C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140150	0	50	-1.0	-49.78	407.41	7.52	-42.26
O=C(C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140150	1	50	-1.0	-49.75	407.47	7.54	-42.21
CC1=NNC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020140151	0	38	-1.0	-54.65	309.22	1.43	-53.22
CC1=NNC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020140151	1	38	-1.0	-54.70	309.28	1.46	-53.24
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300020140152	0	43	-1.0	-55.66	363.82	5.44	-50.22
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300020140152	1	43	-1.0	-55.64	363.88	5.47	-50.17
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140153	0	42	-1.0	-43.32	353.04	5.48	-37.84
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140153	1	42	-1.0	-43.36	353.10	5.50	-37.86
COC1=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(C)N=C2C=C1	REAL300020140154	0	45	-1.0	-45.46	359.68	4.75	-40.71
COC1=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(C)N=C2C=C1	REAL300020140154	1	45	-1.0	-45.46	359.74	4.78	-40.68
O=C(COC1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020140155	0	54	-1.0	-58.65	420.29	7.39	-51.26
O=C(COC1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020140155	1	54	-1.0	-58.64	420.35	7.41	-51.23
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020140156	0	41	-1.0	-46.46	348.59	0.85	-45.61
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020140156	1	41	-1.0	-46.49	348.65	0.87	-45.62
CC1CN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=N2)CC(C)O1	REAL300020140157	0	51	-1.0	-46.89	393.88	4.14	-42.75
CC1CN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=N2)CC(C)O1	REAL300020140157	1	51	-1.0	-46.85	393.82	4.12	-42.73
O=C(CN1C=C(Br)C=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140158	0	36	-1.0	-53.66	320.14	4.60	-49.06
O=C(CN1C=C(Br)C=CC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140158	1	36	-1.0	-53.67	320.20	4.62	-49.05
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140159	0	41	-1.0	-50.17	356.52	0.58	-49.59
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140159	1	41	-1.0	-50.17	356.58	0.60	-49.57
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140160	0	43	-1.0	-50.84	362.31	3.00	-47.84
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140160	1	43	-1.0	-50.81	362.36	3.02	-47.79
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140161	0	40	-1.0	-37.78	345.16	5.35	-32.43
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140161	1	40	-1.0	-37.76	345.21	5.38	-32.38
O=C(CCC1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140162	0	39	-1.0	-45.56	332.83	6.77	-38.79
O=C(CCC1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140162	1	39	-1.0	-45.58	332.89	6.79	-38.79
O=C(C1=CC=C(OCC(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140163	0	40	-1.0	-48.00	341.36	5.15	-42.85
O=C(C1=CC=C(OCC(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140163	1	40	-1.0	-48.04	341.42	5.17	-42.87
CCOC1=CC=C(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020140164	0	46	-1.0	-45.77	385.70	6.31	-39.46
CCOC1=CC=C(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020140164	1	46	-1.0	-45.84	385.64	6.29	-39.55
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140165	0	45	-1.0	-45.24	375.63	1.86	-43.38
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140165	1	45	-1.0	-45.25	375.69	1.89	-43.36
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140166	0	48	-1.0	-51.16	393.62	6.55	-44.61
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140166	1	48	-1.0	-51.21	393.68	6.57	-44.64
COC1=CC=C(C(=O)NCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140167	0	50	-1.0	-50.98	402.08	4.01	-46.97
COC1=CC=C(C(=O)NCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140167	1	50	-1.0	-50.97	402.13	4.04	-46.93
O=C(CCOC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140168	0	40	-1.0	-45.00	345.83	5.69	-39.31
O=C(CCOC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140168	1	40	-1.0	-45.05	345.89	5.72	-39.33
COC1=CC=C2OCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=C1	REAL300020140169	0	45	-1.0	-45.30	354.58	4.44	-40.86
COC1=CC=C2OCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=C1	REAL300020140169	1	45	-1.0	-45.31	354.63	4.46	-40.85
O=C(CNS(=O)(=O)C1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140170	0	38	-1.0	-50.83	340.73	0.12	-50.71
O=C(CNS(=O)(=O)C1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140170	1	38	-1.0	-50.88	340.79	0.14	-50.74
CCOC1=CC=CC=C1C(=O)N1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140171	0	54	-1.0	-67.78	414.40	7.77	-60.01
CCOC1=CC=CC=C1C(=O)N1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140171	1	54	-1.0	-67.76	414.46	7.79	-59.97
COC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=C1OCCO2	REAL300020140172	0	47	-1.0	-51.06	377.09	4.97	-46.09
COC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=C1OCCO2	REAL300020140172	1	47	-1.0	-51.08	377.15	4.99	-46.09
O=C(CN1C2=CC=CC=C2N=C1SC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140173	0	43	-1.0	-56.08	376.23	7.24	-48.84
O=C(CN1C2=CC=CC=C2N=C1SC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140173	1	43	-1.0	-56.11	376.18	7.21	-48.90
CC1=CC(C)=NC2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NN21	REAL300020140174	0	40	-1.0	-55.02	330.84	6.59	-48.43
CC1=CC(C)=NC2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NN21	REAL300020140174	1	40	-1.0	-55.00	330.90	6.61	-48.39
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020140175	0	43	-1.0	-46.41	346.74	6.02	-40.39
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020140175	1	43	-1.0	-46.42	346.80	6.04	-40.38
O=C(CSC1=CC=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140176	0	43	-1.0	-51.23	357.72	5.11	-46.12
O=C(CSC1=CC=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140176	1	43	-1.0	-51.25	357.78	5.14	-46.11
COC1=CC=C(Br)C=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140177	0	41	-1.0	-40.55	353.14	5.93	-34.62
COC1=CC=C(Br)C=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140177	1	41	-1.0	-40.59	353.20	5.95	-34.64
CC1=C(C)C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020140178	0	43	-1.0	-42.36	342.69	5.63	-36.73
CC1=C(C)C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020140178	1	43	-1.0	-42.34	342.75	5.66	-36.68
O=C(C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140179	0	46	-1.0	-39.73	388.53	7.42	-32.31
O=C(C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140179	1	46	-1.0	-39.74	388.58	7.45	-32.29
CCCN1C2=CC=C(OC)C=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020140180	0	53	-1.0	-52.51	420.01	7.75	-44.76
CCCN1C2=CC=C(OC)C=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020140180	1	53	-1.0	-52.51	420.06	7.78	-44.73
O=C(C1=CC(N2CCOCC2)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140181	0	45	-1.0	-41.37	348.72	2.34	-39.03
O=C(C1=CC(N2CCOCC2)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140181	1	45	-1.0	-41.33	348.77	2.37	-38.96
O=C(C1=CSC(C2=CC=CS2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140182	0	36	-1.0	-44.79	325.74	5.09	-39.70
O=C(C1=CSC(C2=CC=CS2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140182	1	36	-1.0	-44.73	325.68	5.07	-39.66
O=C(C1=CC=CC=C1COC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140183	0	47	-1.0	-47.70	378.09	7.82	-39.88
O=C(C1=CC=CC=C1COC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140183	1	47	-1.0	-47.70	378.15	7.85	-39.85
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1CC1	REAL300020140184	0	44	-1.0	-48.17	343.54	6.55	-41.62
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1CC1	REAL300020140184	1	44	-1.0	-48.18	343.60	6.58	-41.60
O=C(C1=NN(CC2=CC=CC=C2)C(=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140185	0	45	-1.0	-41.19	373.47	5.78	-35.41
O=C(C1=NN(CC2=CC=CC=C2)C(=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140185	1	45	-1.0	-41.17	373.53	5.80	-35.37
N#CCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140186	0	42	-1.0	-45.38	354.13	5.95	-39.43
N#CCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140186	1	42	-1.0	-45.37	354.19	5.98	-39.39
O=C(C1=C(CSC2=CC=CC=C2)C=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140187	0	44	-1.0	-48.17	369.73	7.68	-40.49
O=C(C1=C(CSC2=CC=CC=C2)C=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140187	1	44	-1.0	-48.17	369.79	7.70	-40.47
CCN1C(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020140188	0	46	-1.0	-56.34	376.10	7.09	-49.25
CCN1C(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020140188	1	46	-1.0	-56.37	376.16	7.11	-49.26
CC1=NC(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C#N)C(C)=C1C	REAL300020140189	0	46	-1.0	-52.50	383.97	6.27	-46.23
CC1=NC(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C#N)C(C)=C1C	REAL300020140189	1	46	-1.0	-52.52	384.02	6.29	-46.23
CC1=CC(C)=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020140190	0	43	-1.0	-45.15	342.99	6.17	-38.98
CC1=CC(C)=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020140190	1	43	-1.0	-45.13	343.04	6.19	-38.94
NS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140191	0	42	-1.0	-43.89	357.59	0.90	-42.99
NS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140191	1	42	-1.0	-43.93	357.65	0.92	-43.01
CC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020140192	0	42	-1.0	-45.77	351.56	7.37	-38.40
CC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020140192	1	42	-1.0	-45.80	351.62	7.39	-38.41
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(S(N)(=O)=O)=C1C	REAL300020140193	0	44	-1.0	-54.35	355.61	0.61	-53.74
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(S(N)(=O)=O)=C1C	REAL300020140193	1	44	-1.0	-54.38	355.67	0.64	-53.74
CC1=NC(C2=CC=C(C)C=C2)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020140194	0	48	-1.0	-49.48	394.06	7.27	-42.21
CC1=NC(C2=CC=C(C)C=C2)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020140194	1	48	-1.0	-49.45	394.00	7.25	-42.20
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140195	0	44	-1.0	-39.16	365.38	1.57	-37.59
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140195	1	44	-1.0	-39.12	365.43	1.59	-37.53
CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020140196	0	44	-1.0	-47.50	350.94	4.57	-42.93
CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020140196	1	44	-1.0	-47.49	351.00	4.60	-42.89
CNS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC	REAL300020140197	0	45	-1.0	-56.48	366.48	0.47	-56.01
CNS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC	REAL300020140197	1	45	-1.0	-56.45	366.54	0.50	-55.95
CCC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140198	0	50	-1.0	-49.15	407.90	2.93	-46.22
CCC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140198	1	50	-1.0	-49.14	407.96	2.96	-46.18
O=C(NC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CSC=C1	REAL300020140199	0	44	-1.0	-47.11	372.97	5.64	-41.47
O=C(NC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CSC=C1	REAL300020140199	1	44	-1.0	-47.10	373.03	5.66	-41.44
CSC1=NC(C2CC2)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C#N	REAL300020140200	0	44	-1.0	-51.26	373.57	6.05	-45.21
CSC1=NC(C2CC2)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020140200	1	44	-1.0	-51.25	373.63	6.08	-45.17
CC1=CC2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN2C=C1	REAL300020140201	0	39	-1.0	-48.52	318.84	6.44	-42.08
CC1=CC2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN2C=C1	REAL300020140201	1	39	-1.0	-48.57	318.90	6.47	-42.10
O=C(C1=CC=C2C(=O)N3CCCCCC3=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140202	0	51	-1.0	-50.38	391.84	6.75	-43.63
O=C(C1=CC=C2C(=O)N3CCCCCC3=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140202	1	51	-1.0	-50.33	391.89	6.78	-43.55
CCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140203	0	43	-1.0	-45.56	343.29	5.48	-40.08
CCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140203	1	43	-1.0	-45.54	343.34	5.51	-40.03
CCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020140204	0	50	-1.0	-47.10	393.76	6.27	-40.83
CCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020140204	1	50	-1.0	-47.08	393.82	6.30	-40.78
CSCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140205	0	40	-1.0	-46.13	336.61	6.33	-39.80
CSCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140205	1	40	-1.0	-46.16	336.67	6.36	-39.80
O=C(C1=CC=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140206	0	39	-1.0	-48.24	315.03	3.60	-44.64
O=C(C1=CC=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140206	1	39	-1.0	-48.19	315.09	3.63	-44.56
O=C(C=CC1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140207	0	40	-1.0	-36.65	342.19	6.93	-29.72
O=C(C=CC1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140207	1	40	-1.0	-36.65	342.25	6.96	-29.69
O=C(C1=CC=C(C2=NC3=CC=CC=C3S2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140208	0	42	-1.0	-42.65	374.17	6.79	-35.86
O=C(C1=CC=C(C2=NC3=CC=CC=C3S2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140208	1	42	-1.0	-42.64	374.11	6.77	-35.87
O=C(CCCSC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140209	0	43	-1.0	-49.16	373.12	8.00	-41.16
O=C(CCCSC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140209	1	43	-1.0	-49.21	373.18	8.03	-41.18
O=C(C1CC(=O)N(C2=CC=CC=C2F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140210	0	44	-1.0	-49.79	360.14	5.88	-43.91
O=C(C1CC(=O)N(C2=CC=CC=C2F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140210	1	44	-1.0	-49.87	360.20	5.90	-43.97
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140211	0	49	-1.0	-44.22	416.98	7.87	-36.35
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140211	1	49	-1.0	-44.23	417.04	7.89	-36.34
CC(=O)NC1=CC(NC(C)=O)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140212	0	47	-1.0	-60.22	379.67	2.17	-58.05
CC(=O)NC1=CC(NC(C)=O)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140212	1	47	-1.0	-60.21	379.73	2.20	-58.01
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140213	0	42	-1.0	-57.71	349.50	6.03	-51.68
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140213	1	42	-1.0	-57.71	349.56	6.05	-51.66
N#CC1=CC=C(N2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)N=C1	REAL300020140214	0	48	-1.0	-39.61	382.13	5.60	-34.01
N#CC1=CC=C(N2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)N=C1	REAL300020140214	1	48	-1.0	-39.58	382.07	5.57	-34.01
O=C(C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140215	0	47	-1.0	-48.27	382.09	8.08	-40.19
O=C(C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140215	1	47	-1.0	-48.22	382.15	8.11	-40.11
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1N1C=CC=C1	REAL300020140216	0	44	-1.0	-38.48	351.20	7.84	-30.64
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1N1C=CC=C1	REAL300020140216	1	44	-1.0	-38.48	351.26	7.86	-30.62
O=C(CC1=CC=C2OCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140217	0	41	-1.0	-49.70	330.56	5.28	-44.42
O=C(CC1=CC=C2OCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140217	1	41	-1.0	-49.69	330.62	5.30	-44.39
O=C(CNC(=O)NC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140218	0	42	-1.0	-46.24	343.76	2.44	-43.80
O=C(CNC(=O)NC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140218	1	42	-1.0	-46.28	343.82	2.46	-43.82
O=C(C=CC1=CC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140219	0	40	-1.0	-46.66	333.72	6.52	-40.14
O=C(C=CC1=CC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140219	1	40	-1.0	-46.68	333.78	6.54	-40.14
O=C(C=CC1=CC=C2OCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140220	0	42	-1.0	-48.26	339.35	5.80	-42.46
O=C(C=CC1=CC=C2OCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140220	1	42	-1.0	-48.24	339.41	5.82	-42.42
CC1OC2=CC=CC=C2N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020140221	0	45	-1.0	-50.54	361.72	4.80	-45.74
CC1OC2=CC=CC=C2N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020140221	1	45	-1.0	-50.50	361.77	4.82	-45.68
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(NC(=O)C2=CC=CO2)=C1	REAL300020140222	0	44	-1.0	-47.41	375.28	4.24	-43.17
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(NC(=O)C2=CC=CO2)=C1	REAL300020140222	1	44	-1.0	-47.41	375.34	4.26	-43.15
CC(NC(=O)C1=CC=CS1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140223	0	40	-1.0	-44.70	339.70	2.86	-41.84
CC(NC(=O)C1=CC=CS1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140223	1	40	-1.0	-44.65	339.76	2.88	-41.77
O=C(C1=CC(C2=CC=CO2)=NN1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140224	0	47	-1.0	-46.63	386.12	7.17	-39.46
O=C(C1=CC(C2=CC=CO2)=NN1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140224	1	47	-1.0	-46.64	386.06	7.14	-39.50
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140225	0	43	-2.0	-98.49	361.46	2.00	-96.49
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140225	1	43	-2.0	-98.48	361.52	2.03	-96.45
O=C(C=CC1=CC=C(N2CCCC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140226	0	48	-1.0	-43.10	381.22	7.06	-36.04
O=C(C=CC1=CC=C(N2CCCC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140226	1	48	-1.0	-43.09	381.27	7.09	-36.00
CC1=NN(C)C(Cl)=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140227	0	40	-1.0	-46.26	345.08	4.72	-41.54
CC1=NN(C)C(Cl)=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140227	1	40	-1.0	-46.29	345.13	4.75	-41.54
CC1=CC=C(C2=CN=C(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020140228	0	48	-1.0	-47.55	392.65	5.40	-42.15
CC1=CC=C(C2=CN=C(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020140228	1	48	-1.0	-47.58	392.71	5.43	-42.15
CC1=CC=C(C)N1C1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140229	0	47	-1.0	-44.95	393.46	8.96	-35.99
CC1=CC=C(C)N1C1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140229	1	47	-1.0	-44.97	393.52	8.98	-35.99
CC1=NN(C)C2=C1C=C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)S2	REAL300020140230	0	39	-1.0	-39.86	330.95	4.05	-35.81
CC1=NN(C)C2=C1C=C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)S2	REAL300020140230	1	39	-1.0	-39.86	331.01	4.07	-35.79
O=C(C1=CC(C2=CC=CC=C2Cl)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140231	0	40	-1.0	-44.83	340.78	5.51	-39.32
O=C(C1=CC(C2=CC=CC=C2Cl)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140231	1	40	-1.0	-44.86	340.83	5.53	-39.33
O=C(CCOC1=CC=CC=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140232	0	50	-1.0	-46.93	403.31	8.84	-38.09
O=C(CCOC1=CC=CC=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140232	1	50	-1.0	-46.94	403.37	8.87	-38.07
CS(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140233	0	38	-1.0	-58.29	322.69	3.04	-55.25
CS(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140233	1	38	-1.0	-58.30	322.75	3.07	-55.23
O=C(C1=NN(C2=CC=CC=C2)C2=C1CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140234	0	47	-1.0	-48.10	375.66	8.01	-40.09
O=C(C1=NN(C2=CC=CC=C2)C2=C1CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140234	1	47	-1.0	-48.11	375.72	8.03	-40.08
O=C(C1=CC=C(N2CCNC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140235	0	43	-1.0	-56.72	341.89	3.14	-53.58
O=C(C1=CC=C(N2CCNC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140235	1	43	-1.0	-56.77	341.94	3.16	-53.61
CC(C)N1N=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020140236	0	44	-1.0	-45.52	356.58	5.07	-40.45
CC(C)N1N=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020140236	1	44	-1.0	-45.50	356.52	5.04	-40.46
O=C(C1=C(COC2=CC=CC=C2)C=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140237	0	44	-1.0	-46.42	359.90	6.11	-40.31
O=C(C1=C(COC2=CC=CC=C2)C=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140237	1	44	-1.0	-46.40	359.96	6.14	-40.26
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C12	REAL300020140238	0	46	-1.0	-43.85	364.73	3.18	-40.67
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C12	REAL300020140238	1	46	-1.0	-43.89	364.78	3.21	-40.68
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C12	REAL300020140239	0	44	-1.0	-43.96	354.87	3.39	-40.57
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C12	REAL300020140239	1	44	-1.0	-43.97	354.93	3.42	-40.55
COC1=CC=C(C2=NNC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140240	0	44	-1.0	-50.60	359.12	3.67	-46.93
COC1=CC=C(C2=NNC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140240	1	44	-1.0	-50.64	359.18	3.69	-46.95
O=C(C1=CNN=C1C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140241	0	40	-1.0	-49.86	336.08	4.44	-45.42
O=C(C1=CNN=C1C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140241	1	40	-1.0	-49.85	336.14	4.46	-45.39
O=C(C1=CNN=C1C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140242	0	40	-1.0	-49.48	346.41	4.89	-44.59
O=C(C1=CNN=C1C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140242	1	40	-1.0	-49.47	346.47	4.92	-44.55
O=C(C1=CNN=C1C1=CC=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140243	0	46	-1.0	-53.31	375.98	3.59	-49.72
O=C(C1=CNN=C1C1=CC=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140243	1	46	-1.0	-53.32	376.04	3.62	-49.70
O=C(C=CC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140244	0	51	-1.0	-39.48	414.74	9.21	-30.27
O=C(C=CC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140244	1	51	-1.0	-39.47	414.80	9.23	-30.24
CN1C=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140245	0	36	-1.0	-44.65	302.10	4.59	-40.06
CN1C=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140245	1	36	-1.0	-44.64	302.15	4.62	-40.02
O=C(C1CCN(C2=NC3=CC=CC=C3O2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140246	0	50	-1.0	-51.94	391.44	3.53	-48.41
O=C(C1CCN(C2=NC3=CC=CC=C3O2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140246	1	50	-1.0	-51.95	391.38	3.50	-48.45
CSC1=NC(C)=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020140247	0	45	-1.0	-51.84	374.77	3.99	-47.85
CSC1=NC(C)=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020140247	1	45	-1.0	-51.79	374.83	4.01	-47.78
CSC1=NC(C)=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300020140247	1	44	-2.0	-93.42	371.53	2.85	-90.57
CSC1=NC(C)=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300020140247	1	44	-2.0	-93.44	371.59	2.87	-90.57
O=C(NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1)C1CC1	REAL300020140248	0	41	-1.0	-46.68	347.33	4.03	-42.65
O=C(NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1)C1CC1	REAL300020140248	1	41	-1.0	-46.69	347.39	4.06	-42.63
O=C(CC1SC2=CC=C(Cl)C=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140249	0	42	-1.0	-46.91	367.83	4.95	-41.96
O=C(CC1SC2=CC=C(Cl)C=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140249	1	42	-1.0	-46.85	367.88	4.98	-41.87
O=C(C1CC(=O)N(C2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140250	0	44	-1.0	-56.66	344.67	5.49	-51.17
O=C(C1CC(=O)N(C2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140250	1	44	-1.0	-56.70	344.73	5.51	-51.19
O=C(C1=CN(C2=CC=C(Cl)C=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140251	0	39	-1.0	-43.18	341.15	5.25	-37.93
O=C(C1=CN(C2=CC=C(Cl)C=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140251	1	39	-1.0	-43.18	341.10	5.23	-37.95
O=C(C1=CSC2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140252	0	36	-1.0	-39.81	307.65	5.86	-33.95
O=C(C1=CSC2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140252	1	36	-1.0	-39.86	307.71	5.88	-33.98
N#CC1=CC=CC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140253	0	38	-1.0	-40.80	322.33	6.15	-34.65
N#CC1=CC=CC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140253	1	38	-1.0	-40.78	322.39	6.18	-34.60
CNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140254	0	44	-1.0	-48.51	364.63	1.23	-47.28
CNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140254	1	44	-1.0	-48.49	364.68	1.25	-47.24
CC1CN(CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CC(C)O1	REAL300020140255	0	55	-1.0	-46.51	417.15	5.31	-41.20
CC1CN(CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020140255	1	55	-1.0	-46.50	417.21	5.34	-41.16
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020140255	1	56	0.0	-80.83	423.82	7.26	-73.57
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140256	0	41	-1.0	-45.38	336.71	5.52	-39.86
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140256	1	41	-1.0	-45.38	336.77	5.55	-39.83
C#CCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140257	0	43	-1.0	-50.30	373.88	1.95	-48.35
C#CCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140257	1	43	-1.0	-50.34	373.93	1.98	-48.36
COCCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140258	0	48	-1.0	-49.79	401.47	0.57	-49.22
COCCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140258	1	48	-1.0	-49.73	401.53	0.59	-49.14
CC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140259	0	50	-1.0	-48.99	404.41	3.82	-45.17
CC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140259	1	50	-1.0	-49.07	404.47	3.85	-45.22
COC1=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020140260	0	42	-1.0	-46.32	340.04	4.95	-41.37
COC1=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020140260	1	42	-1.0	-46.32	339.99	4.93	-41.39
CC1=NN(C)C(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140261	0	36	-1.0	-44.65	315.09	3.35	-41.30
CC1=NN(C)C(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140261	1	36	-1.0	-44.69	315.15	3.38	-41.31
CC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020140262	0	45	-1.0	-45.41	352.82	7.38	-38.03
CC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020140262	1	45	-1.0	-45.49	352.87	7.40	-38.09
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OCC(N)=O	REAL300020140263	0	45	-1.0	-49.61	387.79	2.27	-47.34
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OCC(N)=O	REAL300020140263	1	45	-1.0	-49.61	387.84	2.30	-47.31
CC1=CC=C(S(=O)(=O)NC2CC2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140264	0	48	-1.0	-50.13	397.08	2.92	-47.21
CC1=CC=C(S(=O)(=O)NC2CC2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140264	1	48	-1.0	-50.10	397.13	2.94	-47.16
O=C(C1=C(C2CC2)N(C2=CC=C(F)C=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140265	0	46	-1.0	-45.28	374.78	6.30	-38.98
O=C(C1=C(C2CC2)N(C2=CC=C(F)C=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140265	1	46	-1.0	-45.28	374.84	6.33	-38.95
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1	REAL300020140266	0	39	-1.0	-46.59	327.61	4.39	-42.20
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020140266	1	39	-1.0	-46.60	327.66	4.42	-42.18
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2C=NN(C(C)C)C2=N1	REAL300020140267	0	47	-1.0	-47.43	378.93	5.73	-41.70
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2C=NN(C(C)C)C2=N1	REAL300020140267	1	47	-1.0	-47.44	378.99	5.76	-41.68
O=C(C1=CNN=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140268	0	40	-1.0	-50.80	329.62	4.37	-46.43
O=C(C1=CNN=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140268	1	40	-1.0	-50.85	329.68	4.40	-46.45
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140269	0	45	-1.0	-48.18	378.79	4.80	-43.38
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140269	1	45	-1.0	-48.22	378.84	4.83	-43.39
CC1=CC=CC(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020140270	0	46	-1.0	-46.65	361.62	6.36	-40.29
CC1=CC=CC(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020140270	1	46	-1.0	-46.63	361.67	6.38	-40.25
CS(=O)(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020140271	0	44	-1.0	-51.10	350.60	1.30	-49.80
CS(=O)(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020140271	1	44	-1.0	-51.15	350.65	1.33	-49.82
O=C(NC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL300020140272	0	44	-1.0	-47.57	372.29	5.68	-41.89
O=C(NC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300020140272	1	44	-1.0	-47.55	372.34	5.71	-41.84
CC1=CC=C(N2C=NN=C2SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020140273	0	49	-1.0	-48.22	408.60	9.69	-38.53
CC1=CC=C(N2C=NN=C2SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020140273	1	49	-1.0	-48.26	408.54	9.67	-38.59
O=C(C1=CC=CC2=NC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140274	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	REAL300020140274	1	38	-1.0	-47.67	308.96	4.75	-42.92
CC1=C(C=C(C#N)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(C#N)N1C	REAL300020140275	0	43	-1.0	-48.65	363.57	6.03	-42.62
CC1=C(C=C(C#N)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(C#N)N1C	REAL300020140275	1	43	-1.0	-48.62	363.63	6.06	-42.56
O=C(C=CC1=CC=CC2=CC=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140276	0	42	-1.0	-43.65	344.32	6.48	-37.17
O=C(C=CC1=CC=CC2=CC=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140276	1	42	-1.0	-43.61	344.37	6.50	-37.11
CC1=NN(C)C2=NC(C)=C(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)C(C)=C12	REAL300020140277	0	53	-1.0	-49.56	409.83	6.84	-42.72
CC1=NN(C)C2=NC(C)=C(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)C(C)=C12	REAL300020140277	1	53	-1.0	-49.57	409.89	6.86	-42.71
O=C(COC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140278	0	48	-1.0	-51.38	392.31	8.20	-43.18
O=C(COC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140278	1	48	-1.0	-51.39	392.37	8.23	-43.16
CC(=O)NC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140279	0	44	-1.0	-42.90	359.22	4.85	-38.05
CC(=O)NC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140279	1	44	-1.0	-42.93	359.28	4.88	-38.05
O=C(C1=CC(Cl)=C(Cl)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140280	0	31	-1.0	-41.91	287.94	3.67	-38.24
O=C(C1=CC(Cl)=C(Cl)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140280	1	31	-1.0	-41.94	288.00	3.70	-38.24
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020140281	0	46	-1.0	-44.92	376.60	6.79	-38.13
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020140281	1	46	-1.0	-44.89	376.66	6.82	-38.07
O=C(C1CC(=O)NC2=CC(F)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140282	0	41	-1.0	-39.68	336.47	3.63	-36.05
O=C(C1CC(=O)NC2=CC(F)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140282	1	41	-1.0	-39.65	336.53	3.66	-35.99
O=C(CC1=CC=CC=C1)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140283	0	46	-1.0	-57.90	375.79	4.58	-53.32
O=C(CC1=CC=CC=C1)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140283	1	46	-1.0	-57.90	375.85	4.60	-53.30
CCOC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140284	0	40	-1.0	-41.45	321.36	4.90	-36.55
CCOC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140284	1	40	-1.0	-41.45	321.42	4.93	-36.52
CCOC1=NC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140285	0	39	-1.0	-51.30	319.04	2.40	-48.90
CCOC1=NC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140285	1	39	-1.0	-51.26	318.98	2.38	-48.88
O=C(C1=CC=C(C(F)(F)F)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140286	0	36	-1.0	-55.00	317.64	2.40	-52.60
O=C(C1=CC=C(C(F)(F)F)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140286	1	36	-1.0	-54.97	317.70	2.43	-52.54
O=C(CCC1CC2=CC=CC=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140287	0	47	-1.0	-47.58	371.73	5.14	-42.44
O=C(CCC1CC2=CC=CC=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140287	1	47	-1.0	-47.64	371.79	5.17	-42.47
CC(C)(OC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140288	0	43	-1.0	-47.97	327.76	5.63	-42.34
CC(C)(OC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140288	1	43	-1.0	-48.00	327.81	5.66	-42.34
O=C(C1=NN(C2=CC=CC=C2)C(=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140289	0	42	-1.0	-43.68	347.10	5.46	-38.22
O=C(C1=NN(C2=CC=CC=C2)C(=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140289	1	42	-1.0	-43.69	347.16	5.49	-38.20
O=C(C1=CC=CN=C1OCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140290	0	39	-1.0	-53.44	338.61	2.87	-50.57
O=C(C1=CC=CN=C1OCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140290	1	39	-1.0	-53.44	338.55	2.84	-50.60
O=C(C(SC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140291	0	47	-1.0	-48.15	392.63	9.40	-38.75
O=C(C(SC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140291	1	47	-1.0	-48.17	392.69	9.43	-38.74
O=C(C1=CC=CC=C1OCC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140292	0	47	-1.0	-52.24	388.76	8.08	-44.16
O=C(C1=CC=CC=C1OCC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140292	1	47	-1.0	-52.27	388.82	8.10	-44.17
O=C(C1=CC=CC=C1OCCOC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140293	0	51	-1.0	-56.66	408.58	8.38	-48.28
O=C(C1=CC=CC=C1OCCOC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140293	1	51	-1.0	-56.62	408.64	8.41	-48.21
CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020140294	0	38	-1.0	-57.78	320.72	6.06	-51.72
CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020140294	1	38	-1.0	-57.77	320.78	6.09	-51.68
COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1OC(F)F	REAL300020140295	0	41	-1.0	-51.68	333.47	4.75	-46.93
COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1OC(F)F	REAL300020140295	1	41	-1.0	-51.68	333.53	4.77	-46.91
O=C(C1=CC=CC=C1OC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140296	0	37	-1.0	-41.28	309.26	4.25	-37.03
O=C(C1=CC=CC=C1OC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140296	1	37	-1.0	-41.29	309.32	4.27	-37.02
CC1=CC=CC=C1COC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140297	0	50	-1.0	-54.88	394.85	9.24	-45.64
CC1=CC=CC=C1COC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140297	1	50	-1.0	-54.87	394.91	9.27	-45.60
CS(=O)(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140298	0	39	-1.0	-47.55	319.69	2.59	-44.96
CS(=O)(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140298	1	39	-1.0	-47.57	319.75	2.62	-44.95
O=C(C1=CC=CC=C1SC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140299	0	37	-1.0	-40.19	318.25	5.65	-34.54
O=C(C1=CC=CC=C1SC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140299	1	37	-1.0	-40.17	318.30	5.67	-34.50
CC1=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(N2C=CC=C2)S1	REAL300020140300	0	44	-1.0	-48.05	363.77	7.91	-40.14
CC1=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(N2C=CC=C2)S1	REAL300020140300	1	44	-1.0	-48.03	363.82	7.94	-40.09
CCSC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140301	0	40	-1.0	-40.71	330.10	6.25	-34.46
CCSC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140301	1	40	-1.0	-40.72	330.16	6.27	-34.45
CC1=NOC(CSC2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140302	0	46	-1.0	-54.13	388.04	7.48	-46.65
CC1=NOC(CSC2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140302	1	46	-1.0	-54.16	388.10	7.51	-46.65
CC1=NC(COC2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020140303	0	45	-1.0	-58.60	370.25	4.13	-54.47
CC1=NC(COC2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020140303	1	45	-1.0	-58.64	370.31	4.16	-54.48
O=C(C1=C(N2C=CC=C2)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140304	0	38	-1.0	-49.56	324.70	6.38	-43.18
O=C(C1=C(N2C=CC=C2)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140304	1	38	-1.0	-49.52	324.76	6.41	-43.11
COC1=CC(Br)=C(OC)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140305	0	41	-1.0	-46.63	354.35	4.11	-42.52
COC1=CC(Br)=C(OC)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140305	1	41	-1.0	-46.64	354.41	4.14	-42.50
COC1=CC=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140306	0	37	-1.0	-41.34	307.02	4.11	-37.23
COC1=CC=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140306	1	37	-1.0	-41.37	307.08	4.13	-37.24
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N1	REAL300020140307	0	43	-1.0	-50.81	346.91	6.04	-44.77
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N1	REAL300020140307	1	43	-1.0	-50.79	346.97	6.06	-44.73
O=C(CCC1=NC=C(C2=CC=CC=C2Cl)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140308	0	45	-1.0	-47.40	386.60	5.12	-42.28
O=C(CCC1=NC=C(C2=CC=CC=C2Cl)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140308	1	45	-1.0	-47.41	386.66	5.15	-42.26
O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140309	0	45	-1.0	-46.84	387.97	5.24	-41.60
O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140309	1	45	-1.0	-46.85	388.03	5.27	-41.58
O=C(CCC1=NC=C(C2=CC=C(F)C=C2F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140310	0	45	-1.0	-46.39	385.19	4.87	-41.52
O=C(CCC1=NC=C(C2=CC=C(F)C=C2F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140310	1	45	-1.0	-46.45	385.25	4.90	-41.55
O=C(C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140311	0	48	-1.0	-47.66	396.12	7.48	-40.18
O=C(C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140311	1	48	-1.0	-47.66	396.06	7.46	-40.20
COC1=CC=C(N2N=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C)C=C1	REAL300020140312	0	46	-1.0	-47.09	370.22	4.47	-42.62
COC1=CC=C(N2N=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C)C=C1	REAL300020140312	1	46	-1.0	-47.10	370.28	4.49	-42.61
CC1=CC=C(C2=NNC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020140313	0	43	-1.0	-44.10	349.81	5.53	-38.57
CC1=CC=C(C2=NNC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020140313	1	43	-1.0	-44.09	349.87	5.56	-38.53
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140314	0	40	-1.0	-37.76	345.15	5.36	-32.40
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140314	1	40	-1.0	-37.77	345.21	5.39	-32.38
NC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140315	0	39	-1.0	-54.81	318.99	0.47	-54.34
NC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140315	1	39	-1.0	-54.81	319.05	0.50	-54.31
O=C(C1=NOC(C2=CC=CC(Cl)=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140316	0	39	-1.0	-43.15	342.43	6.56	-36.59
O=C(C1=NOC(C2=CC=CC(Cl)=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140316	1	39	-1.0	-43.13	342.38	6.53	-36.60
O=C(C1=NOC(C2=CC=CC=C2F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140317	0	39	-1.0	-44.23	333.79	6.19	-38.04
O=C(C1=NOC(C2=CC=CC=C2F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140317	1	39	-1.0	-44.24	333.73	6.16	-38.08
CCOC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020140318	0	46	-1.0	-43.03	347.87	2.04	-40.99
CCOC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020140318	1	46	-1.0	-43.02	347.92	2.07	-40.95
O=C(C1CC(=O)NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140319	0	41	-1.0	-53.87	330.56	3.60	-50.27
O=C(C1CC(=O)NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140319	1	41	-1.0	-53.87	330.62	3.63	-50.24
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020140320	0	43	-1.0	-44.67	363.47	6.54	-38.13
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020140320	1	43	-1.0	-44.70	363.53	6.56	-38.14
O=C(C=CC1=CC=C(C2=CC=CC(Cl)=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140321	0	44	-1.0	-43.42	388.46	9.24	-34.18
O=C(C=CC1=CC=C(C2=CC=CC(Cl)=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140321	1	44	-1.0	-43.41	388.51	9.27	-34.14
CC(C)C1=CC=C(C2=NOC(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020140322	0	53	-1.0	-46.62	427.19	6.82	-39.80
CC(C)C1=CC=C(C2=NOC(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020140322	1	53	-1.0	-46.62	427.13	6.80	-39.82
CC1=CC=CC(COC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020140323	0	50	-1.0	-46.73	402.59	8.37	-38.36
CC1=CC=CC(COC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020140323	1	50	-1.0	-46.75	402.64	8.39	-38.36
CC1=NN(C)C2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020140324	0	41	-1.0	-46.70	336.27	4.17	-42.53
CC1=NN(C)C2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020140324	1	41	-1.0	-46.76	336.33	4.20	-42.56
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020140325	0	43	-1.0	-47.75	352.64	5.27	-42.48
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020140325	1	43	-1.0	-47.75	352.70	5.29	-42.46
COC1=C(OC)C(OC)=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020140326	0	49	-1.0	-45.55	397.46	4.12	-41.43
COC1=C(OC)C(OC)=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020140326	1	49	-1.0	-45.56	397.51	4.14	-41.42
O=C(CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140327	0	48	-1.0	-50.48	386.69	8.12	-42.36
O=C(CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140327	1	48	-1.0	-50.50	386.75	8.14	-42.36
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)O1	REAL300020140328	0	45	-1.0	-54.22	372.02	4.63	-49.59
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CC=C2)O1	REAL300020140328	1	45	-1.0	-54.23	371.97	4.60	-49.63
O=C(C1=CN(CC2=CC=CC=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140329	0	42	-1.0	-47.83	349.34	5.19	-42.64
O=C(C1=CN(CC2=CC=CC=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140329	1	42	-1.0	-47.84	349.28	5.16	-42.68
COC1=CC=CC=C1C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020140330	0	43	-1.0	-44.97	356.61	5.50	-39.47
COC1=CC=CC=C1C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020140330	1	43	-1.0	-44.98	356.55	5.47	-39.51
CC(C)C1=CC=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140331	0	46	-1.0	-50.60	363.82	7.27	-43.33
CC(C)C1=CC=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140331	1	46	-1.0	-50.60	363.88	7.30	-43.30
O=C(NC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140332	0	37	-1.0	-40.38	304.01	2.78	-37.60
O=C(NC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140332	1	37	-1.0	-40.41	304.06	2.81	-37.60
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C12	REAL300020140333	0	48	-1.0	-45.16	380.60	6.09	-39.07
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C12	REAL300020140333	1	48	-1.0	-45.19	380.66	6.12	-39.07
CC1=NN(C)C2=NC(C)=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C12	REAL300020140334	0	44	-1.0	-46.27	352.88	4.65	-41.62
CC1=NN(C)C2=NC(C)=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C12	REAL300020140334	1	44	-1.0	-46.29	352.94	4.68	-41.61
O=C(C1=CC=CN=C1SC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140335	0	36	-1.0	-49.76	316.86	4.49	-45.27
O=C(C1=CC=CN=C1SC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140335	1	36	-1.0	-49.72	316.80	4.47	-45.25
O=C(C1=CC=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140336	0	36	-1.0	-51.14	303.64	5.37	-45.77
O=C(C1=CC=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140336	1	36	-1.0	-51.11	303.70	5.40	-45.71
NC(=O)NC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020140337	0	45	-1.0	-54.48	366.63	2.32	-52.16
NC(=O)NC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020140337	1	45	-1.0	-54.46	366.69	2.35	-52.11
CN1C(=O)N(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020140338	0	46	-1.0	-51.84	375.31	6.63	-45.21
CN1C(=O)N(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020140338	1	46	-1.0	-51.84	375.37	6.66	-45.18
O=C(C1=C(S(=O)(=O)N2CCCC2)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140339	0	45	-1.0	-49.37	364.66	2.85	-46.52
O=C(C1=C(S(=O)(=O)N2CCCC2)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140339	1	45	-1.0	-49.41	364.72	2.87	-46.54
O=C(C1=CC2=C(OC(F)F)C=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140340	0	41	-1.0	-48.21	340.11	4.45	-43.76
O=C(C1=CC2=C(OC(F)F)C=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140340	1	41	-1.0	-48.23	340.16	4.48	-43.75
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140341	0	45	-1.0	-47.69	371.26	4.72	-42.97
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140341	1	45	-1.0	-47.70	371.32	4.75	-42.95
O=C(C1=CC(C2=CC=C(F)C=C2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140342	0	40	-1.0	-38.02	334.83	4.91	-33.11
O=C(C1=CC(C2=CC=C(F)C=C2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140342	1	40	-1.0	-38.05	334.89	4.94	-33.11
CC1=CC=C(C(=O)N2CCCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2)C=C1	REAL300020140343	0	53	-1.0	-48.30	407.26	7.04	-41.26
CC1=CC=C(C(=O)N2CCCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020140343	1	53	-1.0	-48.36	407.32	7.06	-41.30
CC1=NOC2=NC(C)=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C12	REAL300020140344	0	40	-1.0	-45.51	327.44	1.99	-43.52
CC1=NOC2=NC(C)=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C12	REAL300020140344	1	40	-1.0	-45.53	327.50	2.02	-43.51
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C12	REAL300020140345	0	44	-1.0	-43.54	366.84	3.16	-40.38
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C12	REAL300020140345	1	44	-1.0	-43.55	366.78	3.13	-40.42
O=C(C1=CC=C(CN2C=CC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140346	0	43	-1.0	-48.82	354.33	6.13	-42.69
O=C(C1=CC=C(CN2C=CC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140346	1	43	-1.0	-48.82	354.28	6.10	-42.72
CC(C)(C)C(=O)NCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140347	0	48	-1.0	-49.08	375.69	3.62	-45.46
CC(C)(C)C(=O)NCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140347	1	48	-1.0	-49.08	375.75	3.64	-45.44
NC(=O)NC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL300020140348	0	42	-1.0	-52.71	357.48	1.33	-51.38
NC(=O)NC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300020140348	1	42	-1.0	-52.69	357.54	1.35	-51.34
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020140349	0	35	-1.0	-48.13	308.08	-2.24	-50.37
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020140349	1	35	-1.0	-48.13	308.14	-2.21	-50.34
O=C(C1CC(C2=CC=CC(F)=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140350	0	41	-1.0	-52.43	341.90	6.05	-46.38
O=C(C1CC(C2=CC=CC(F)=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140350	1	41	-1.0	-52.43	341.95	6.07	-46.36
O=C(C1=CC=C(CN2C=NC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140351	0	42	-1.0	-51.28	349.09	7.56	-43.72
O=C(C1=CC=C(CN2C=NC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140351	1	42	-1.0	-51.36	349.03	7.53	-43.83
O=C(C1=CC=C(N2CCOCC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140352	0	45	-1.0	-47.17	351.48	2.67	-44.50
O=C(C1=CC=C(N2CCOCC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140352	1	45	-1.0	-47.17	351.43	2.64	-44.53
CC1=CC=CC(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)=C1C	REAL300020140353	0	50	-1.0	-50.04	390.31	7.40	-42.64
CC1=CC=CC(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)=C1C	REAL300020140353	1	50	-1.0	-50.07	390.37	7.43	-42.64
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=O)OC2=CC=CC=C21	REAL300020140354	0	42	-1.0	-60.80	338.68	6.12	-54.68
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=O)OC2=CC=CC=C21	REAL300020140354	1	42	-1.0	-60.84	338.74	6.15	-54.69
CC1=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC(=O)N1	REAL300020140355	0	42	-1.0	-53.97	341.40	0.89	-53.08
CC1=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC(=O)N1	REAL300020140355	1	42	-1.0	-53.91	341.46	0.91	-53.00
O=C(C1CC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140356	0	38	-1.0	-40.18	317.38	6.24	-33.94
O=C(C1CC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140356	1	38	-1.0	-40.17	317.44	6.27	-33.90
CC1=CC(N2C(C)=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C)=NO1	REAL300020140357	0	46	-1.0	-51.08	372.86	7.42	-43.66
CC1=CC(N2C(C)=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C)=NO1	REAL300020140357	1	46	-1.0	-51.09	372.92	7.45	-43.64
CN1C(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020140358	0	43	-1.0	-57.06	354.26	6.12	-50.94
CN1C(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020140358	1	43	-1.0	-57.12	354.31	6.15	-50.97
O=C(C1=CC=C(SC(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140359	0	37	-1.0	-45.31	320.19	5.69	-39.62
O=C(C1=CC=C(SC(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140359	1	37	-1.0	-45.33	320.25	5.72	-39.61
O=C(C=CC1=CC=CC2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140360	0	43	-1.0	-49.50	346.77	8.09	-41.41
O=C(C=CC1=CC=CC2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140360	1	43	-1.0	-49.53	346.83	8.12	-41.41
O=C(CCN1C=NC2=C(C=CS2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140361	0	41	-1.0	-52.90	351.95	5.52	-47.38
O=C(CCN1C=NC2=C(C=CS2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140361	1	41	-1.0	-52.87	351.89	5.49	-47.38
O=C(C1=CC=CC(N2CCCS2(=O)=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140362	0	45	-1.0	-69.26	365.45	2.89	-66.37
O=C(C1=CC=CC(N2CCCS2(=O)=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140362	1	45	-1.0	-69.27	365.51	2.91	-66.36
O=C(C1=CC=C(OCC(F)(F)F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140363	0	39	-1.0	-37.13	338.99	2.59	-34.54
O=C(C1=CC=C(OCC(F)(F)F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140363	1	39	-1.0	-37.15	338.93	2.57	-34.58
CC1=CC=C(CNC(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140364	0	48	-1.0	-45.32	390.98	3.26	-42.06
CC1=CC=C(CNC(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140364	1	48	-1.0	-45.33	391.04	3.28	-42.05
O=C(CNC(=O)NCC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140365	0	45	-1.0	-45.69	375.99	2.65	-43.04
O=C(CNC(=O)NCC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140365	1	45	-1.0	-45.71	376.05	2.68	-43.03
O=C(C=CC1=CC=C(SC(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140366	0	41	-1.0	-38.66	359.66	7.39	-31.27
O=C(C=CC1=CC=C(SC(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140366	1	41	-1.0	-38.62	359.71	7.42	-31.20
CCC(C)C1=CC=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140367	0	49	-1.0	-50.55	380.65	7.98	-42.57
CCC(C)C1=CC=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140367	1	49	-1.0	-50.55	380.71	8.00	-42.55
O=C(C1=CC2=CC(Br)=CC=C2OC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140368	0	39	-1.0	-38.44	341.77	5.70	-32.74
O=C(C1=CC2=CC(Br)=CC=C2OC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140368	1	39	-1.0	-38.44	341.82	5.72	-32.72
O=C(CN1C(=O)COC2=CC=C(Cl)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140369	0	42	-1.0	-52.89	357.88	4.67	-48.22
O=C(CN1C(=O)COC2=CC=C(Cl)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140369	1	42	-1.0	-52.93	357.94	4.69	-48.24
O=C(C1=CC2=CC=CC=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140370	0	39	-1.0	-48.69	321.60	3.52	-45.17
O=C(C1=CC2=CC=CC=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140370	1	39	-1.0	-48.70	321.66	3.55	-45.15
CC(C)(C)C1=CC=C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140371	0	49	-1.0	-47.49	389.34	8.28	-39.21
CC(C)(C)C1=CC=C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140371	1	49	-1.0	-47.48	389.40	8.30	-39.18
CC1=CC=C2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020140372	0	41	-1.0	-40.26	338.24	6.91	-33.35
CC1=CC=C2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020140372	1	41	-1.0	-40.25	338.30	6.94	-33.31
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140373	0	41	-1.0	-50.53	343.10	1.12	-49.41
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140373	1	41	-1.0	-50.57	343.16	1.15	-49.42
COC1=CC=C(C2=NOC(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020140374	0	48	-1.0	-47.37	396.47	4.22	-43.15
COC1=CC=C(C2=NOC(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020140374	1	48	-1.0	-47.38	396.41	4.19	-43.19
COC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020140375	0	43	-1.0	-47.26	361.63	6.11	-41.15
COC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020140375	1	43	-1.0	-47.26	361.69	6.13	-41.13
COC1=CC=CC=C1N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020140376	0	48	-1.0	-57.70	380.72	5.13	-52.57
COC1=CC=CC=C1N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020140376	1	48	-1.0	-57.75	380.78	5.15	-52.60
C=CCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300020140377	0	45	-2.0	-79.65	385.39	6.25	-73.40
C=CCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300020140377	1	45	-2.0	-79.64	385.45	6.28	-73.36
CN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300020140378	0	41	-2.0	-84.97	351.56	4.65	-80.32
CN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300020140378	1	41	-2.0	-84.97	351.62	4.68	-80.29
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140379	0	43	-1.0	-47.47	338.07	6.08	-41.39
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140379	1	43	-1.0	-47.46	338.13	6.11	-41.35
O=C(C1=CC=CC=C1CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140380	0	46	-1.0	-48.55	364.73	8.60	-39.95
O=C(C1=CC=CC=C1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140380	1	46	-1.0	-48.54	364.79	8.62	-39.92
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC3CC(CC(Br)(C3)C1)C2	REAL300020140381	0	47	-1.0	-45.22	345.91	6.66	-38.56
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC3CC(CC(Br)(C3)C1)C2	REAL300020140381	1	47	-1.0	-45.22	345.97	6.68	-38.54
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC3CC(CC(Cl)(C3)C1)C2	REAL300020140382	0	47	-1.0	-45.39	341.41	6.55	-38.84
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC3CC(CC(Cl)(C3)C1)C2	REAL300020140382	1	47	-1.0	-45.37	341.47	6.57	-38.80
O=C(CN1N=C2C=CC=CN2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140383	0	39	-1.0	-59.33	328.37	5.11	-54.22
O=C(CN1N=C2C=CC=CN2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140383	1	39	-1.0	-59.37	328.43	5.13	-54.24
O=C(C1=CC2=C(N1)SC=C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140384	0	34	-1.0	-44.43	291.19	3.97	-40.46
O=C(C1=CC2=C(N1)SC=C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140384	1	34	-1.0	-44.45	291.24	4.00	-40.45
O=C(C1=C(C(F)(F)F)C2=CC=CC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140385	0	41	-1.0	-47.50	342.31	5.53	-41.97
O=C(C1=C(C(F)(F)F)C2=CC=CC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140385	1	41	-1.0	-47.46	342.25	5.51	-41.95
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(F)C=C2)CCC1	REAL300020140386	0	43	-1.0	-47.09	335.86	6.66	-40.43
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(F)C=C2)CCC1	REAL300020140386	1	43	-1.0	-47.13	335.92	6.68	-40.45
CC(=O)N1CC2=CC=CC=C2CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140387	0	47	-1.0	-58.80	364.42	7.36	-51.44
CC(=O)N1CC2=CC=CC=C2CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140387	1	47	-1.0	-58.78	364.48	7.39	-51.39
CC1=CC(C=C(C#N)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1CC(C)C	REAL300020140388	0	54	-1.0	-46.65	415.81	8.21	-38.44
CC1=CC(C=C(C#N)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1CC(C)C	REAL300020140388	1	54	-1.0	-46.64	415.87	8.23	-38.41
COCCN1C(C)=CC(C=C(C#N)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020140389	0	52	-1.0	-46.21	417.55	6.21	-40.00
COCCN1C(C)=CC(C=C(C#N)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020140389	1	52	-1.0	-46.23	417.61	6.23	-40.00
CC1=CC(C)=NN1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140390	0	42	-1.0	-46.89	338.74	4.47	-42.42
CC1=CC(C)=NN1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140390	1	42	-1.0	-46.86	338.80	4.49	-42.37
O=C(C1=CC=CC(CN2C(=O)CSC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140391	0	44	-1.0	-50.77	376.21	5.22	-45.55
O=C(C1=CC=CC(CN2C(=O)CSC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140391	1	44	-1.0	-50.77	376.27	5.24	-45.53
O=C(C1CCN(C2=NN3N=NN=C3C=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140392	0	48	-1.0	-48.62	375.29	4.37	-44.25
O=C(C1CCN(C2=NN3N=NN=C3C=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140392	1	48	-1.0	-48.64	375.23	4.34	-44.30
CC(C)(C)C(=O)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140393	0	45	-1.0	-56.09	354.22	2.83	-53.26
CC(C)(C)C(=O)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140393	1	45	-1.0	-56.14	354.28	2.86	-53.28
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(F)C=C2)CCCC1	REAL300020140394	0	46	-1.0	-46.23	345.04	7.66	-38.57
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(F)C=C2)CCCC1	REAL300020140394	1	46	-1.0	-46.29	345.09	7.68	-38.61
N#CC1=CC=CC=C1SC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140395	0	45	-1.0	-56.88	388.05	8.72	-48.16
N#CC1=CC=CC=C1SC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140395	1	45	-1.0	-56.82	388.10	8.75	-48.07
O=C(C1=C2CCCC2=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140396	0	45	-1.0	-46.68	359.59	6.73	-39.95
O=C(C1=C2CCCC2=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140396	1	45	-1.0	-46.73	359.64	6.76	-39.97
CC1=CC=NC2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NN21	REAL300020140397	0	37	-1.0	-54.87	308.95	5.96	-48.91
CC1=CC=NC2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NN21	REAL300020140397	1	37	-1.0	-54.85	309.01	5.98	-48.87
CC12CCC(=O)N1C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CS2	REAL300020140398	0	42	-1.0	-54.18	340.28	4.03	-50.15
CC12CCC(=O)N1C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CS2	REAL300020140398	1	42	-1.0	-54.17	340.34	4.06	-50.11
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2=CC=CC=C2C(=O)O1	REAL300020140399	0	43	-1.0	-43.91	338.29	6.02	-37.89
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2=CC=CC=C2C(=O)O1	REAL300020140399	1	43	-1.0	-43.90	338.35	6.04	-37.86
CS(=O)(=O)N1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140400	0	41	-1.0	-51.74	326.89	0.91	-50.83
CS(=O)(=O)N1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140400	1	41	-1.0	-51.69	326.95	0.94	-50.75
O=C(C1=CNC(=S)N1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140401	0	41	-1.0	-51.00	356.02	7.07	-43.93
O=C(C1=CNC(=S)N1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140401	1	41	-1.0	-51.05	356.08	7.09	-43.96
O=C(CN1C(=S)NN=C1C1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140402	0	40	-1.0	-53.65	356.29	6.26	-47.39
O=C(CN1C(=S)NN=C1C1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140402	1	40	-1.0	-53.65	356.34	6.29	-47.36
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140402	1	39	-2.0	-104.83	352.87	6.10	-98.73
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140402	1	39	-2.0	-104.85	352.92	6.13	-98.72
CC(=O)C1=CN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140403	0	39	-1.0	-49.87	314.76	4.29	-45.58
CC(=O)C1=CN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140403	1	39	-1.0	-49.85	314.81	4.31	-45.54
CSC1=NC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020140404	0	35	-1.0	-40.93	315.26	4.40	-36.53
CSC1=NC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020140404	1	35	-1.0	-40.92	315.20	4.38	-36.54
CC12CC3CC(C)(C1)CC(C(=O)N1CCCC(C4=N[N-]N=N4)C1)(C3)C2	REAL300020140405	0	53	-1.0	-46.34	365.70	7.06	-39.28
CC12CC3CC(C)(C1)CC(C(=O)N1CCCC(C4=NN=N[N-]4)C1)(C3)C2	REAL300020140405	1	53	-1.0	-46.36	365.76	7.09	-39.27
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140406	0	43	-1.0	-48.04	361.00	6.21	-41.83
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140406	1	43	-1.0	-48.05	360.94	6.18	-41.87
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL300020140407	0	43	-1.0	-49.76	346.14	7.09	-42.67
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL300020140407	1	43	-1.0	-49.73	346.20	7.11	-42.62
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(F)=C2)CCC1	REAL300020140408	0	43	-1.0	-51.11	335.81	6.65	-44.46
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(F)=C2)CCC1	REAL300020140408	1	43	-1.0	-51.13	335.87	6.67	-44.46
CC1=CC=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2)=C1	REAL300020140409	0	46	-1.0	-47.51	350.81	7.27	-40.24
CC1=CC=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2)=C1	REAL300020140409	1	46	-1.0	-47.50	350.87	7.29	-40.21
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Br)C=C2)CC1	REAL300020140410	0	40	-1.0	-47.12	341.28	6.99	-40.13
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Br)C=C2)CC1	REAL300020140410	1	40	-1.0	-47.12	341.34	7.01	-40.11
CC1=NOC(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020140411	0	41	-1.0	-46.54	342.96	3.83	-42.71
CC1=NOC(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020140411	1	41	-1.0	-46.54	342.90	3.81	-42.73
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140412	0	48	-1.0	-50.29	384.33	6.40	-43.89
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140412	1	48	-1.0	-50.27	384.27	6.38	-43.89
O=C(C1=CC=CN=C1NC1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140413	0	44	-1.0	-51.66	358.88	7.24	-44.42
O=C(C1=CC=CN=C1NC1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140413	1	44	-1.0	-51.62	358.83	7.21	-44.41
CCOC1=CC=C(NC2=NC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140414	0	51	-1.0	-48.51	402.69	7.38	-41.13
CCOC1=CC=C(NC2=NC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140414	1	51	-1.0	-48.47	402.63	7.36	-41.11
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N1C=CC=C1	REAL300020140415	0	41	-1.0	-47.03	329.87	5.72	-41.31
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N1C=CC=C1	REAL300020140415	1	41	-1.0	-47.03	329.82	5.69	-41.34
O=C(NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CC=C1	REAL300020140416	0	47	-1.0	-54.44	381.52	6.40	-48.04
O=C(NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CC=C1	REAL300020140416	1	47	-1.0	-54.45	381.58	6.42	-48.03
COC1=CC(OC)=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020140417	0	45	-1.0	-45.93	359.87	3.47	-42.46
COC1=CC(OC)=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020140417	1	45	-1.0	-45.93	359.93	3.50	-42.43
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1OC	REAL300020140418	0	43	-1.0	-53.53	354.08	5.17	-48.36
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OC	REAL300020140418	1	43	-1.0	-53.49	354.14	5.20	-48.29
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCC1	REAL300020140419	0	43	-1.0	-47.06	328.16	6.52	-40.54
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCC1	REAL300020140419	1	43	-1.0	-47.09	328.22	6.55	-40.54
O=C(CCC1=NN=C(C2=CSC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140420	0	41	-1.0	-48.21	357.73	1.10	-47.11
O=C(CCC1=NN=C(C2=CSC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140420	1	41	-1.0	-48.23	357.79	1.12	-47.11
CC1=CC=C(C)C(C(=O)C2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140421	0	51	-1.0	-59.31	410.11	10.56	-48.75
CC1=CC=C(C)C(C(=O)C2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140421	1	51	-1.0	-59.31	410.16	10.59	-48.72
CN(C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1)S(C)(=O)=O	REAL300020140422	0	44	-1.0	-46.07	358.47	3.12	-42.95
CN(C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020140422	1	44	-1.0	-46.06	358.53	3.14	-42.92
CC(C)N1C=NN=C1SCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140423	0	42	-1.0	-48.08	353.42	6.54	-41.54
CC(C)N1C=NN=C1SCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140423	1	42	-1.0	-48.04	353.37	6.52	-41.52
O=C(CSC1=NN=NN1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140424	0	45	-1.0	-45.21	373.41	5.02	-40.19
O=C(CSC1=NN=NN1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140424	1	45	-1.0	-45.18	373.35	4.99	-40.19
O=C(CSC1=NN=NN1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140425	0	39	-1.0	-46.14	339.89	3.76	-42.38
O=C(CSC1=NN=NN1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140425	1	39	-1.0	-46.12	339.83	3.74	-42.38
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020140426	0	38	-1.0	-45.80	320.53	3.29	-42.51
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020140426	1	38	-1.0	-45.85	320.48	3.26	-42.59
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140427	0	48	-1.0	-56.05	393.47	8.51	-47.54
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140427	1	48	-1.0	-56.07	393.53	8.53	-47.54
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020140428	0	51	-1.0	-56.65	410.98	9.05	-47.60
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020140428	1	51	-1.0	-56.63	411.04	9.07	-47.56
COC1=CC=C(C2=C(C)SC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020140429	0	47	-1.0	-47.42	387.80	6.98	-40.44
COC1=CC=C(C2=C(C)SC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020140429	1	47	-1.0	-47.39	387.85	7.00	-40.39
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140430	0	47	-1.0	-52.99	366.58	6.70	-46.29
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140430	1	47	-1.0	-53.01	366.64	6.72	-46.29
CCC1=NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2N=C1CC	REAL300020140431	0	49	-1.0	-50.18	383.48	5.29	-44.89
CCC1=NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2N=C1CC	REAL300020140431	1	49	-1.0	-50.17	383.54	5.32	-44.85
CSC1=CC=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140432	0	40	-1.0	-45.24	328.24	6.07	-39.17
CSC1=CC=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140432	1	40	-1.0	-45.20	328.30	6.10	-39.10
COC1=CC=CC=C1C=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020140433	0	51	-1.0	-47.57	410.16	8.56	-39.01
COC1=CC=CC=C1C=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020140433	1	51	-1.0	-47.55	410.22	8.58	-38.97
O=C(C(=CC1=CC=CC(Cl)=C1)C1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140434	0	44	-1.0	-38.67	381.45	8.63	-30.04
O=C(C(=CC1=CC=CC(Cl)=C1)C1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140434	1	44	-1.0	-38.70	381.51	8.66	-30.04
COC1=CC=C2C(=C1)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C(C)N2C1CC1	REAL300020140435	0	51	-1.0	-53.33	405.41	7.54	-45.79
COC1=CC=C2C(=C1)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C(C)N2C1CC1	REAL300020140435	1	51	-1.0	-53.29	405.47	7.56	-45.73
O=C(C1=C(C2=CC=CC=C2)C=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140436	0	40	-1.0	-47.40	326.79	6.43	-40.97
O=C(C1=C(C2=CC=CC=C2)C=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140436	1	40	-1.0	-47.45	326.84	6.45	-41.00
CC1=C2C(=CC=C1)SC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2Cl	REAL300020140437	0	39	-1.0	-40.39	336.67	6.77	-33.62
CC1=C2C(=CC=C1)SC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2Cl	REAL300020140437	1	39	-1.0	-40.36	336.73	6.79	-33.57
O=C(C1C2CC3CC(C2)CC1C3)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140438	0	47	-1.0	-46.00	326.60	6.32	-39.68
O=C(C1C2CC3CC(C2)CC1C3)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140438	1	47	-1.0	-46.02	326.66	6.34	-39.68
CC1=CC=C(C)N1C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020140439	0	44	-1.0	-51.01	362.68	7.70	-43.31
CC1=CC=C(C)N1C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020140439	1	44	-1.0	-51.00	362.73	7.73	-43.27
CN1C2=CC=CC=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020140440	0	50	-1.0	-51.50	402.44	9.59	-41.91
CN1C2=CC=CC=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020140440	1	50	-1.0	-51.51	402.50	9.61	-41.90
CC1=CC=CC=C1OCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140441	0	46	-1.0	-50.42	366.11	6.59	-43.83
CC1=CC=CC=C1OCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140441	1	46	-1.0	-50.43	366.16	6.61	-43.82
O=C(C1=CC=CN=C1N1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140442	0	39	-1.0	-55.15	322.40	5.19	-49.96
O=C(C1=CC=CN=C1N1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140442	1	39	-1.0	-55.15	322.34	5.17	-49.98
CC1=CN2C=C(CSCC(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020140443	0	46	-1.0	-56.78	387.49	7.99	-48.79
CC1=CN2C=C(CSCC(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020140443	1	46	-1.0	-56.81	387.55	8.02	-48.79
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140444	0	48	-1.0	-52.20	394.63	7.19	-45.01
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140444	1	48	-1.0	-52.21	394.58	7.17	-45.04
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=NN=CN1	REAL300020140445	0	38	-1.0	-48.51	319.79	6.99	-41.52
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=NN=CN1	REAL300020140445	1	38	-1.0	-48.47	319.84	7.01	-41.46
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=NC(C(F)(F)F)=NN1	REAL300020140446	0	41	-1.0	-43.50	361.65	6.90	-36.60
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=NC(C(F)(F)F)=NN1	REAL300020140446	1	41	-1.0	-43.52	361.70	6.93	-36.59
O=C(C1=CC=C(N2C=NC=N2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140447	0	38	-1.0	-45.80	319.91	6.20	-39.60
O=C(C1=CC=C(N2C=NC=N2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140447	1	38	-1.0	-45.79	319.85	6.18	-39.61
CC1=NOC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020140448	0	37	-1.0	-43.70	308.78	1.77	-41.93
CC1=NOC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020140448	1	37	-1.0	-43.73	308.83	1.80	-41.93
O=C(CCCOC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140449	0	43	-1.0	-50.31	352.48	5.92	-44.39
O=C(CCCOC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140449	1	43	-1.0	-50.30	352.54	5.94	-44.36
O=C(C1=CC=CS1)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140450	0	47	-1.0	-59.43	371.08	6.75	-52.68
O=C(C1=CC=CS1)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140450	1	47	-1.0	-59.36	371.14	6.78	-52.58
O=C(C1=CC=CC=C1CCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140451	0	49	-1.0	-49.57	390.73	9.59	-39.98
O=C(C1=CC=CC=C1CCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140451	1	49	-1.0	-49.61	390.78	9.62	-39.99
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300020140452	0	40	-1.0	-47.23	336.72	6.88	-40.35
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300020140452	1	40	-1.0	-47.23	336.78	6.91	-40.32
CC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(C)N=C2C=C1	REAL300020140453	0	44	-1.0	-47.22	351.92	6.04	-41.18
CC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(C)N=C2C=C1	REAL300020140453	1	44	-1.0	-47.18	351.98	6.06	-41.12
O=C(C1=CC=CN=C1SC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140454	0	43	-1.0	-50.67	367.27	7.04	-43.63
O=C(C1=CC=CN=C1SC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140454	1	43	-1.0	-50.65	367.21	7.01	-43.64
O=C(C1CC2CCCC(C1)C2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140455	0	45	-1.0	-50.57	330.71	5.27	-45.30
O=C(C1CC2CCCC(C1)C2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140455	1	45	-1.0	-50.59	330.76	5.30	-45.29
CC1=CC=C(C2=NNC(=S)N2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140456	0	46	-1.0	-53.82	385.07	7.75	-46.07
CC1=CC=C(C2=NNC(=S)N2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140456	1	46	-1.0	-53.85	385.12	7.78	-46.07
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140456	1	45	-2.0	-107.57	381.65	7.59	-99.98
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140456	1	45	-2.0	-107.57	381.70	7.62	-99.95
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140457	0	41	-2.0	-99.42	354.85	5.54	-93.88
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140457	1	41	-2.0	-99.48	354.90	5.56	-93.92
O=C(CN1C(=O)C2=CC=CC=C2NC1=S)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140457	1	42	-1.0	-56.81	357.96	5.97	-50.84
O=C(CN1C(=O)C2=CC=CC=C2NC1=S)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140457	1	42	-1.0	-56.81	358.01	6.00	-50.81
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140458	0	45	-1.0	-49.37	372.89	6.01	-43.36
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140458	1	45	-1.0	-49.40	372.94	6.03	-43.37
O=C(C1=CC=CC=C1N1C=NN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140459	0	38	-1.0	-63.31	314.21	4.88	-58.43
O=C(C1=CC=CC=C1N1C=NN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140459	1	38	-1.0	-63.32	314.15	4.86	-58.46
O=C(C(CC1=CC=CC=C1)N1C=NN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140460	0	44	-1.0	-40.52	358.20	6.17	-34.35
O=C(C(CC1=CC=CC=C1)N1C=NN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140460	1	44	-1.0	-40.52	358.14	6.15	-34.37
CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC(C3=N[N-]N=N3)C1)C2=O	REAL300020140461	0	54	-1.0	-53.56	409.18	4.36	-49.20
CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC(C3=NN=N[N-]3)C1)C2=O	REAL300020140461	1	54	-1.0	-53.56	409.24	4.38	-49.18
O=C(C1=CC=C(COC2=CC=C(F)C=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140462	0	44	-1.0	-45.61	369.61	6.27	-39.34
O=C(C1=CC=C(COC2=CC=C(F)C=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140462	1	44	-1.0	-45.65	369.67	6.29	-39.36
O=C(COC1=CC=C2OC3=C(CCCC3)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140463	0	50	-1.0	-54.22	394.56	8.38	-45.84
O=C(COC1=CC=C2OC3=C(CCCC3)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140463	1	50	-1.0	-54.25	394.62	8.41	-45.84
CN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020140464	0	40	-1.0	-44.96	336.24	3.71	-41.25
CN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020140464	1	40	-1.0	-44.94	336.30	3.73	-41.21
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020140465	0	47	-1.0	-51.57	358.42	6.96	-44.61
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020140465	1	47	-1.0	-51.56	358.48	6.98	-44.58
CCOC1=CC=C(OC(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140466	0	50	-1.0	-50.32	372.69	5.77	-44.55
CCOC1=CC=C(OC(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140466	1	50	-1.0	-50.26	372.75	5.80	-44.46
O=C(C1=CC=C(N2C=CC=N2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140467	0	39	-1.0	-41.05	326.04	4.96	-36.09
O=C(C1=CC=C(N2C=CC=N2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140467	1	39	-1.0	-41.02	325.98	4.94	-36.08
CC1=CC=C(S(=O)(=O)N(C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020140468	0	50	-1.0	-58.63	408.41	4.29	-54.34
CC1=CC=C(S(=O)(=O)N(C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020140468	1	50	-1.0	-58.66	408.47	4.32	-54.34
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020140469	0	36	-1.0	-44.14	317.24	4.24	-39.90
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020140469	1	36	-1.0	-44.15	317.30	4.27	-39.88
CN1N=CC2=C1N=CN(CCC(=O)N1CCCC(C3=NN=N[N-]3)C1)C2=O	REAL300020140470	0	44	-1.0	-54.09	364.65	5.14	-48.95
CN1N=CC2=C1N=CN(CCC(=O)N1CCCC(C3=N[N-]N=N3)C1)C2=O	REAL300020140470	1	44	-1.0	-54.02	364.59	5.12	-48.90
CC1=NN2C(=C1)N=CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2C	REAL300020140471	0	41	-1.0	-43.68	336.25	4.50	-39.18
CC1=NN2C(=C1)N=CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2C	REAL300020140471	1	41	-1.0	-43.64	336.31	4.52	-39.12
O=C(C1CC=CCC1C1=NC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140472	0	49	-1.0	-48.12	397.07	7.71	-40.41
O=C(C1CC=CCC1C1=NC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140472	1	49	-1.0	-48.19	397.13	7.74	-40.45
CN1C(=O)C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C2N(C)C1=O	REAL300020140473	0	44	-1.0	-39.03	359.03	3.93	-35.10
CN1C(=O)C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C2N(C)C1=O	REAL300020140473	1	44	-1.0	-39.04	359.09	3.95	-35.09
O=C(CCCNC(=O)NC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140474	0	54	-1.0	-50.40	415.59	3.79	-46.61
O=C(CCCNC(=O)NC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140474	1	54	-1.0	-50.39	415.65	3.81	-46.58
CC(C)C(NC(=O)NCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140475	0	54	-1.0	-43.75	411.42	4.02	-39.73
CC(C)C(NC(=O)NCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140475	1	54	-1.0	-43.75	411.47	4.04	-39.71
O=C(C1=CC=C2NC(=O)C(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140476	0	39	-1.0	-41.59	326.47	1.44	-40.15
O=C(C1=CC=C2NC(=O)C(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140476	1	39	-1.0	-41.62	326.53	1.46	-40.16
O=C(C1=CC(F)=C(F)C(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140477	0	33	-1.0	-35.60	295.30	4.68	-30.92
O=C(C1=CC(F)=C(F)C(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140477	1	33	-1.0	-35.57	295.36	4.71	-30.86
CC1CCC2=C(C1)SC=C2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140478	0	43	-1.0	-45.89	343.37	6.70	-39.19
CC1CCC2=C(C1)SC=C2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140478	1	43	-1.0	-45.84	343.43	6.73	-39.11
CCCCC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020140479	0	51	-1.0	-45.63	377.44	7.66	-37.97
CCCCC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020140479	1	51	-1.0	-45.62	377.50	7.68	-37.94
O=C(CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1)N1CCOCC1	REAL300020140480	0	57	-1.0	-44.00	414.71	5.30	-38.70
O=C(CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1)N1CCOCC1	REAL300020140480	1	57	-1.0	-43.99	414.76	5.33	-38.66
O=C(C1=CC=C(CN2C=CC=CC2=O)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140481	0	43	-1.0	-63.53	358.16	5.58	-57.95
O=C(C1=CC=C(CN2C=CC=CC2=O)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140481	1	43	-1.0	-63.50	358.22	5.61	-57.89
CC(NC(=O)C(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140482	0	45	-1.0	-43.39	350.50	2.76	-40.63
CC(NC(=O)C(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140482	1	45	-1.0	-43.41	350.55	2.78	-40.63
CC1=CC=C(SC2=NC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020140483	0	49	-1.0	-50.91	406.33	8.26	-42.65
CC1=CC=C(SC2=NC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020140483	1	49	-1.0	-50.94	406.27	8.23	-42.71
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(=O)N1CCS2	REAL300020140484	0	39	-1.0	-49.28	316.00	2.93	-46.35
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(=O)N1CCS2	REAL300020140484	1	39	-1.0	-49.32	316.05	2.95	-46.37
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140485	0	46	-1.0	-54.47	390.21	5.71	-48.76
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140485	1	46	-1.0	-54.46	390.15	5.68	-48.78
O=C(C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140486	0	47	-1.0	-51.16	387.93	7.55	-43.61
O=C(C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140486	1	47	-1.0	-51.14	387.99	7.57	-43.57
CC1=CC=C(C2=NNC(=S)N2CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140487	0	49	-1.0	-48.31	405.14	8.38	-39.93
CC1=CC=C(C2=NNC(=S)N2CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140487	1	49	-1.0	-48.36	405.19	8.40	-39.96
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140487	1	48	-2.0	-92.49	401.55	8.22	-84.27
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140487	1	48	-2.0	-92.48	401.61	8.25	-84.23
CCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300020140488	0	44	-2.0	-78.98	372.12	5.69	-73.29
CCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300020140488	1	44	-2.0	-79.00	372.18	5.71	-73.29
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140489	0	48	-1.0	-45.78	385.48	7.07	-38.71
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140489	1	48	-1.0	-45.82	385.54	7.09	-38.73
O=C(NC1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020140490	0	50	-1.0	-46.65	401.91	7.41	-39.24
O=C(NC1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020140490	1	50	-1.0	-46.62	401.97	7.44	-39.18
CC1=NN(C)C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140491	0	42	-1.0	-52.10	336.59	4.24	-47.86
CC1=NN(C)C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140491	1	42	-1.0	-52.11	336.65	4.27	-47.84
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140492	0	45	-1.0	-61.87	359.86	7.39	-54.48
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140492	1	45	-1.0	-61.86	359.92	7.42	-54.44
CN(C(=O)C1=CC=CS1)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140493	0	47	-1.0	-58.54	378.73	6.89	-51.65
CN(C(=O)C1=CC=CS1)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140493	1	47	-1.0	-58.52	378.79	6.91	-51.61
O=C(CC1=CC=CC2=CC=CN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140494	0	41	-1.0	-51.90	334.73	5.98	-45.92
O=C(CC1=CC=CC2=CC=CN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140494	1	41	-1.0	-51.93	334.68	5.96	-45.97
O=C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140495	0	45	-1.0	-53.87	388.81	8.35	-45.52
O=C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140495	1	45	-1.0	-53.88	388.86	8.38	-45.50
CC1=CC=C(SC2=NC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020140496	0	49	-1.0	-50.60	406.43	8.30	-42.30
CC1=CC=C(SC2=NC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020140496	1	49	-1.0	-50.57	406.37	8.27	-42.30
O=C(COC1=CC=C2NC(=O)CCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140497	0	45	-1.0	-53.58	363.43	4.53	-49.05
O=C(COC1=CC=C2NC(=O)CCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140497	1	45	-1.0	-53.60	363.49	4.56	-49.04
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=C(C(C)C)C=C1	REAL300020140498	0	56	-1.0	-47.02	438.85	10.41	-36.61
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=C(C(C)C)C=C1	REAL300020140498	1	56	-1.0	-47.02	438.91	10.43	-36.59
CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140499	0	55	-1.0	-44.27	423.17	6.16	-38.11
CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140499	1	55	-1.0	-44.31	423.23	6.18	-38.13
CC1OC2=CC=CC=C2OC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140500	0	42	-1.0	-52.41	321.14	5.15	-47.26
CC1OC2=CC=CC=C2OC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140500	1	42	-1.0	-52.46	321.20	5.18	-47.28
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140501	0	38	-1.0	-52.33	321.65	4.61	-47.72
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140501	1	38	-1.0	-52.35	321.71	4.64	-47.71
CC(C)C1=CC=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020140502	0	46	-1.0	-44.49	360.89	6.80	-37.69
CC(C)C1=CC=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020140502	1	46	-1.0	-44.48	360.95	6.83	-37.65
O=C(C1CCCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140503	0	43	-1.0	-48.12	331.04	6.91	-41.21
O=C(C1CCCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140503	1	43	-1.0	-48.07	331.10	6.94	-41.13
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Br)=C2)CC1	REAL300020140504	0	40	-1.0	-49.16	340.15	6.89	-42.27
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Br)=C2)CC1	REAL300020140504	1	40	-1.0	-49.21	340.20	6.91	-42.30
CC(OC1=CC=CC(F)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140505	0	40	-1.0	-47.88	323.54	5.74	-42.14
CC(OC1=CC=CC(F)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140505	1	40	-1.0	-47.87	323.60	5.77	-42.10
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140506	0	38	-1.0	-43.87	322.79	4.27	-39.60
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140506	1	38	-1.0	-43.84	322.85	4.30	-39.54
CC1=CC=C(C(=O)CCC(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020140507	0	49	-1.0	-47.86	413.98	7.47	-40.39
CC1=CC=C(C(=O)CCC(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020140507	1	49	-1.0	-47.88	414.04	7.50	-40.38
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140508	0	44	-2.0	-91.88	375.44	6.04	-85.84
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140508	1	44	-2.0	-91.91	375.49	6.06	-85.85
O=C(CCN1C(=O)C2=CC=CC=C2NC1=S)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140508	1	45	-1.0	-54.75	378.63	6.48	-48.27
O=C(CCN1C(=O)C2=CC=CC=C2NC1=S)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140508	1	45	-1.0	-54.78	378.68	6.50	-48.28
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140509	0	41	-1.0	-44.70	347.00	5.96	-38.74
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140509	1	41	-1.0	-44.70	347.06	5.99	-38.71
O=C(CCCOC1=CC=C2NC(=O)CCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140510	0	51	-1.0	-54.03	405.88	5.02	-49.01
O=C(CCCOC1=CC=C2NC(=O)CCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140510	1	51	-1.0	-54.03	405.93	5.04	-48.99
CCCCCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140511	0	50	-1.0	-46.18	385.15	7.91	-38.27
CCCCCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140511	1	50	-1.0	-46.17	385.20	7.93	-38.24
CN(C)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140512	0	45	-1.0	-39.88	355.68	6.35	-33.53
CN(C)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140512	1	45	-1.0	-39.90	355.73	6.38	-33.52
CC1=CC=C2C(=O)N(C(C)C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(=O)C2=C1	REAL300020140513	0	46	-1.0	-45.52	371.60	6.44	-39.08
CC1=CC=C2C(=O)N(C(C)C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(=O)C2=C1	REAL300020140513	1	46	-1.0	-45.54	371.66	6.46	-39.08
O=C(CCN1C(=O)C2=CC=CC=C2S1(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140514	0	44	-1.0	-53.58	377.65	2.12	-51.46
O=C(CCN1C(=O)C2=CC=CC=C2S1(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140514	1	44	-1.0	-53.58	377.71	2.14	-51.44
O=C(C=CC1=CC=C(C2=CC=C(Cl)C=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140515	0	44	-1.0	-40.63	388.45	9.24	-31.39
O=C(C=CC1=CC=C(C2=CC=C(Cl)C=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140515	1	44	-1.0	-40.63	388.51	9.27	-31.36
O=C(C1=CC=CN1CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140516	0	44	-1.0	-48.59	350.94	7.74	-40.85
O=C(C1=CC=CN1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140516	1	44	-1.0	-48.59	351.00	7.77	-40.82
O=C(C1=CSC(COC2=CC=C(F)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140517	0	43	-1.0	-48.15	372.64	5.64	-42.51
O=C(C1=CSC(COC2=CC=C(F)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140517	1	43	-1.0	-48.14	372.70	5.66	-42.48
NC(=O)C1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020140518	0	46	-1.0	-49.63	373.51	2.21	-47.42
NC(=O)C1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020140518	1	46	-1.0	-49.64	373.56	2.23	-47.41
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1NS(C)(=O)=O	REAL300020140519	0	44	-1.0	-58.61	358.04	1.81	-56.80
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1NS(C)(=O)=O	REAL300020140519	1	44	-1.0	-58.60	358.09	1.83	-56.77
CC1=NOC(C)=C1CSC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140520	0	49	-1.0	-54.04	404.35	8.03	-46.01
CC1=NOC(C)=C1CSC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140520	1	49	-1.0	-54.00	404.41	8.05	-45.95
O=C(COC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140521	0	47	-1.0	-53.77	390.12	5.77	-48.00
O=C(COC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140521	1	47	-1.0	-53.78	390.06	5.74	-48.04
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC(C)=CC=C1	REAL300020140522	0	46	-1.0	-46.50	367.96	6.67	-39.83
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC(C)=CC=C1	REAL300020140522	1	46	-1.0	-46.53	368.02	6.70	-39.83
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCCC1	REAL300020140523	0	46	-1.0	-46.58	340.62	7.60	-38.98
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCCC1	REAL300020140523	1	46	-1.0	-46.60	340.68	7.63	-38.97
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300020140524	0	49	-1.0	-43.61	377.25	8.36	-35.25
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300020140524	1	49	-1.0	-43.58	377.31	8.38	-35.20
CC1=NN(C2=NC(C)=CC(C)=N2)C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140525	0	53	-1.0	-59.88	425.23	9.08	-50.80
CC1=NN(C2=NC(C)=CC(C)=N2)C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140525	1	53	-1.0	-59.87	425.28	9.11	-50.76
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=N1	REAL300020140526	0	42	-1.0	-48.53	343.84	5.77	-42.76
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=N1	REAL300020140526	1	42	-1.0	-48.50	343.78	5.75	-42.75
O=C(C1=CN(C2=CC=CC=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140527	0	39	-1.0	-47.31	324.09	4.71	-42.60
O=C(C1=CN(C2=CC=CC=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140527	1	39	-1.0	-47.33	324.03	4.69	-42.64
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(=O)N1C1=CC=CC=C1S2	REAL300020140528	0	43	-1.0	-44.14	354.39	5.61	-38.53
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(=O)N1C1=CC=CC=C1S2	REAL300020140528	1	43	-1.0	-44.15	354.45	5.63	-38.52
O=C(C1=C(F)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140529	0	33	-1.0	-49.11	296.36	5.07	-44.04
O=C(C1=C(F)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140529	1	33	-1.0	-49.13	296.42	5.10	-44.03
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(F)=C2)CCCC1	REAL300020140530	0	46	-1.0	-43.80	344.60	7.40	-36.40
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(F)=C2)CCCC1	REAL300020140530	1	46	-1.0	-43.77	344.66	7.43	-36.34
CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140531	0	50	-1.0	-56.15	381.75	4.97	-51.18
CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140531	1	50	-1.0	-56.19	381.81	4.99	-51.20
CCS(=O)(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140532	0	44	-1.0	-49.14	364.76	2.07	-47.07
CCS(=O)(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140532	1	44	-1.0	-49.16	364.82	2.09	-47.07
CC(C)C1=CC=C(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020140533	0	48	-1.0	-45.16	394.57	8.00	-37.16
CC(C)C1=CC=C(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020140533	1	48	-1.0	-45.15	394.51	7.98	-37.17
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020140534	0	46	-1.0	-46.32	366.77	6.67	-39.65
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020140534	1	46	-1.0	-46.34	366.82	6.69	-39.65
CCCS(=O)(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140535	0	47	-1.0	-48.99	386.26	2.85	-46.14
CCCS(=O)(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140535	1	47	-1.0	-49.00	386.31	2.88	-46.12
COC1=CC=CC(C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N2N=NN=C2C)=C1	REAL300020140536	0	49	-1.0	-43.98	400.12	5.11	-38.87
COC1=CC=CC(C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N2N=NN=C2C)=C1	REAL300020140536	1	49	-1.0	-43.98	400.18	5.13	-38.85
O=C(CSCC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCCCC1	REAL300020140537	0	47	-1.0	-58.63	376.36	5.44	-53.19
O=C(CSCC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCCCC1	REAL300020140537	1	47	-1.0	-58.64	376.41	5.47	-53.17
O=C(C1=CC=CC=C1SC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140538	0	37	-1.0	-37.32	324.82	5.84	-31.48
O=C(C1=CC=CC=C1SC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140538	1	37	-1.0	-37.31	324.88	5.87	-31.44
O=C(CCC1=NC(C2=CC=CO2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140539	0	41	-1.0	-49.12	348.51	2.92	-46.20
O=C(CCC1=NC(C2=CC=CO2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140539	1	41	-1.0	-49.11	348.45	2.90	-46.21
O=C(CN1N=NC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140540	0	41	-1.0	-55.36	346.35	4.39	-50.97
O=C(CN1N=NC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140540	1	41	-1.0	-55.42	346.41	4.41	-51.01
CC(=O)NCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140541	0	45	-1.0	-51.89	359.94	3.14	-48.75
CC(=O)NCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140541	1	45	-1.0	-51.93	360.00	3.16	-48.77
O=C(C=CC1=CC=C(C2=CC=CC=C2F)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140542	0	44	-1.0	-40.58	381.10	8.88	-31.70
O=C(C=CC1=CC=C(C2=CC=CC=C2F)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140542	1	44	-1.0	-40.55	381.16	8.91	-31.64
O=C(CSC1=CC=CC=[N+]1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020140543	0	37	-1.0	-72.15	319.15	4.45	-67.70
O=C(CSC1=CC=CC=[N+]1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020140543	1	37	-1.0	-72.16	319.20	4.48	-67.68
O=C(C1=CC=CC=C1CSC1=NCCS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140544	0	45	-1.0	-50.45	385.56	5.58	-44.87
O=C(C1=CC=CC=C1CSC1=NCCS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140544	1	45	-1.0	-50.41	385.62	5.61	-44.80
COCCN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020140545	0	44	-1.0	-50.31	348.66	2.29	-48.02
COCCN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020140545	1	44	-1.0	-50.26	348.72	2.32	-47.94
CC1=CC=CC(C2=NNC(=S)N2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140546	0	46	-1.0	-53.88	385.14	7.76	-46.12
CC1=CC=CC(C2=NNC(=S)N2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140546	1	46	-1.0	-53.86	385.20	7.78	-46.08
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140546	1	45	-2.0	-105.74	381.66	7.58	-98.16
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140546	1	45	-2.0	-105.78	381.71	7.61	-98.17
O=C(C1CC(=O)N(C2CC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140547	0	41	-1.0	-52.76	319.55	3.75	-49.01
O=C(C1CC(=O)N(C2CC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140547	1	41	-1.0	-52.79	319.61	3.78	-49.01
O=C(CN1C(=O)C2=CC=CC=C2S1(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140548	0	41	-1.0	-60.34	356.64	1.58	-58.76
O=C(CN1C(=O)C2=CC=CC=C2S1(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140548	1	41	-1.0	-60.29	356.70	1.60	-58.69
O=C(CN1N=NC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140549	0	41	-1.0	-53.38	363.08	4.91	-48.47
O=C(CN1N=NC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140549	1	41	-1.0	-53.36	363.14	4.93	-48.43
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300020140550	0	43	-1.0	-46.65	376.86	4.32	-42.33
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300020140550	1	43	-1.0	-46.65	376.92	4.35	-42.30
CC(C)C1CCC(C)CC1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140551	0	55	-1.0	-49.34	403.78	7.78	-41.56
CC(C)C1CCC(C)CC1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140551	1	55	-1.0	-49.34	403.84	7.81	-41.53
CN(C(=O)CSCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020140552	0	53	-1.0	-59.15	414.56	6.76	-52.39
CN(C(=O)CSCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020140552	1	53	-1.0	-59.14	414.62	6.78	-52.36
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020140553	0	38	-1.0	-39.86	319.82	4.15	-35.71
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020140553	1	38	-1.0	-39.87	319.77	4.12	-35.75
CC(C)C(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020140554	0	49	-1.0	-54.14	371.29	5.03	-49.11
CC(C)C(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020140554	1	49	-1.0	-54.12	371.34	5.06	-49.06
O=C(C1=CC2=C(NC(=O)C=C2C(F)(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140555	0	39	-1.0	-37.34	341.60	2.29	-35.05
O=C(C1=CC2=C(NC(=O)C=C2C(F)(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140555	1	39	-1.0	-37.34	341.65	2.32	-35.02
CC1=CC=CC(C2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140556	0	46	-1.0	-48.91	369.40	8.58	-40.33
CC1=CC=CC(C2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140556	1	46	-1.0	-48.96	369.46	8.60	-40.36
O=C(C1=CN=C2C(=C1)C(=O)NC(=O)N2C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140557	0	45	-1.0	-37.89	366.50	3.46	-34.43
O=C(C1=CN=C2C(=C1)C(=O)NC(=O)N2C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140557	1	45	-1.0	-37.86	366.56	3.48	-34.38
CC1=NN(CCC#N)C(C)=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140558	0	49	-1.0	-50.93	400.66	6.39	-44.54
CC1=NN(CCC#N)C(C)=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140558	1	49	-1.0	-50.93	400.72	6.41	-44.52
CSCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140559	0	53	-1.0	-38.78	416.33	4.00	-34.78
CSCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140559	1	53	-1.0	-38.80	416.39	4.02	-34.78
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140560	0	52	-1.0	-43.01	380.88	3.14	-39.87
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140560	1	52	-1.0	-43.05	380.94	3.16	-39.89
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140561	0	55	-1.0	-38.01	406.53	3.89	-34.12
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140561	1	55	-1.0	-37.97	406.59	3.92	-34.05
O=C(CN1C=CC=C(C(F)(F)F)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140562	0	39	-1.0	-59.97	336.66	5.02	-54.95
O=C(CN1C=CC=C(C(F)(F)F)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140562	1	39	-1.0	-59.97	336.71	5.04	-54.93
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Br)C=C2)CCC1	REAL300020140563	0	43	-1.0	-46.44	350.76	7.22	-39.22
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Br)C=C2)CCC1	REAL300020140563	1	43	-1.0	-46.46	350.82	7.24	-39.22
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CS2)O1	REAL300020140564	0	42	-1.0	-54.09	363.54	3.58	-50.51
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CS2)O1	REAL300020140564	1	42	-1.0	-54.12	363.49	3.55	-50.57
O=C(C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140565	0	37	-1.0	-42.57	325.37	5.72	-36.85
O=C(C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140565	1	37	-1.0	-42.58	325.42	5.75	-36.83
CC(C)(C)C1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(C)(C)C)=C1	REAL300020140566	0	61	-1.0	-48.57	450.93	10.21	-38.36
CC(C)(C)C1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(C)(C)C)=C1	REAL300020140566	1	61	-1.0	-48.53	450.99	10.23	-38.30
CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140567	0	46	-1.0	-43.75	357.50	2.21	-41.54
CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140567	1	46	-1.0	-43.81	357.55	2.24	-41.57
O=C(NC1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140568	0	37	-1.0	-39.30	321.50	3.39	-35.91
O=C(NC1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140568	1	37	-1.0	-39.31	321.56	3.42	-35.89
O=C(C1CC(=O)N(C2=CC=C(F)C=C2F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140569	0	44	-1.0	-47.75	366.56	5.96	-41.79
O=C(C1CC(=O)N(C2=CC=C(F)C=C2F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140569	1	44	-1.0	-47.70	366.62	5.98	-41.72
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CO2)S1	REAL300020140570	0	39	-1.0	-47.20	333.86	4.93	-42.27
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CO2)S1	REAL300020140570	1	39	-1.0	-47.22	333.80	4.90	-42.32
O=C(C1=NOC(C2=CC=CS2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140571	0	36	-1.0	-42.87	317.73	5.21	-37.66
O=C(C1=NOC(C2=CC=CS2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140571	1	36	-1.0	-42.85	317.67	5.18	-37.67
CCC1=CC=CC=C1N1C=NN=C1SCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140572	0	49	-1.0	-47.84	408.28	9.66	-38.18
CCC1=CC=CC=C1N1C=NN=C1SCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140572	1	49	-1.0	-47.80	408.22	9.64	-38.16
O=C(CSCC1=CC(=O)N2C=CSC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140573	0	42	-1.0	-58.30	375.76	5.89	-52.41
O=C(CSCC1=CC(=O)N2C=CSC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140573	1	42	-1.0	-58.31	375.82	5.91	-52.40
O=C(NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1)NC1=CC=CC=C1	REAL300020140574	0	46	-1.0	-48.34	387.06	4.83	-43.51
O=C(NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1)NC1=CC=CC=C1	REAL300020140574	1	46	-1.0	-48.35	387.11	4.85	-43.50
O=C(CN1N=C2CCCCCN2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140575	0	46	-1.0	-57.48	362.14	5.46	-52.02
O=C(CN1N=C2CCCCCN2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140575	1	46	-1.0	-57.49	362.20	5.48	-52.01
CC1=NOC(CSC2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020140576	0	45	-1.0	-54.84	378.67	4.84	-50.00
CC1=NOC(CSC2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020140576	1	45	-1.0	-54.85	378.72	4.86	-49.99
CN1C(=O)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020140577	0	44	-1.0	-55.32	347.89	5.33	-49.99
CN1C(=O)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020140577	1	44	-1.0	-55.36	347.95	5.36	-50.00
CC1=CC=C(N2C=NN=C2SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140578	0	46	-1.0	-48.37	391.67	9.17	-39.20
CC1=CC=C(N2C=NN=C2SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140578	1	46	-1.0	-48.32	391.61	9.14	-39.18
CC1=CC=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020140579	0	40	-1.0	-45.17	322.22	5.56	-39.61
CC1=CC=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020140579	1	40	-1.0	-45.20	322.27	5.59	-39.61
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=C1OCC1=CC=CN=C1	REAL300020140580	0	52	-1.0	-48.17	418.92	7.54	-40.63
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=C1OCC1=CC=CN=C1	REAL300020140580	1	52	-1.0	-48.18	418.86	7.51	-40.67
CC1=NN=NN1C(=CC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140581	0	45	-1.0	-50.15	379.30	6.08	-44.07
CC1=NN=NN1C(=CC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140581	1	45	-1.0	-50.15	379.36	6.10	-44.05
CCOC1=CC=C(C=C(C#N)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140582	0	45	-1.0	-42.83	368.57	5.87	-36.96
CCOC1=CC=C(C=C(C#N)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140582	1	45	-1.0	-42.76	368.62	5.90	-36.86
CCCN1C(C)=CC(C=C(C#N)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020140583	0	51	-1.0	-46.55	405.37	7.92	-38.63
CCCN1C(C)=CC(C=C(C#N)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020140583	1	51	-1.0	-46.54	405.42	7.94	-38.60
CC1=CC(C=C(C#N)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1CCC(C)C	REAL300020140584	0	57	-1.0	-46.31	444.45	9.21	-37.10
CC1=CC(C=C(C#N)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1CCC(C)C	REAL300020140584	1	57	-1.0	-46.34	444.51	9.23	-37.11
CCCCN1C(C)=CC(C=C(C#N)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020140585	0	54	-1.0	-46.51	426.88	8.70	-37.81
CCCCN1C(C)=CC(C=C(C#N)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020140585	1	54	-1.0	-46.57	426.93	8.72	-37.85
COCC(C)N1C(C)=CC(C=C(C#N)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020140586	0	55	-1.0	-46.10	428.67	6.57	-39.53
COCC(C)N1C(C)=CC(C=C(C#N)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020140586	1	55	-1.0	-46.09	428.73	6.60	-39.49
COC1=CC=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020140587	0	41	-1.0	-45.28	330.25	4.18	-41.10
COC1=CC=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020140587	1	41	-1.0	-45.27	330.31	4.21	-41.06
O=C(C1=CC2=CC(Cl)=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140588	0	37	-1.0	-44.41	317.56	5.41	-39.00
O=C(C1=CC2=CC(Cl)=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140588	1	37	-1.0	-44.40	317.62	5.44	-38.96
O=C(C1=CC2=CC=CC=C2C=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140589	0	40	-1.0	-48.96	327.19	4.23	-44.73
O=C(C1=CC2=CC=CC=C2C=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140589	1	40	-1.0	-48.94	327.24	4.25	-44.69
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140590	0	53	-1.0	-50.75	416.74	5.68	-45.07
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140590	1	53	-1.0	-50.75	416.80	5.70	-45.05
CN1N=CC2=C1N=C(CCC(=O)N1CCCC(C3=N[N-]N=N3)C1)NC2=O	REAL300020140591	0	44	-1.0	-50.97	363.88	3.45	-47.52
CN1N=CC2=C1N=C(CCC(=O)N1CCCC(C3=NN=N[N-]3)C1)NC2=O	REAL300020140591	1	44	-1.0	-50.96	363.93	3.48	-47.48
NC(=O)C1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(F)C=C1	REAL300020140592	0	46	-1.0	-48.92	379.54	2.27	-46.65
NC(=O)C1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(F)C=C1	REAL300020140592	1	46	-1.0	-48.92	379.60	2.29	-46.63
O=C(C1=CC=CC=C1)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140593	0	50	-1.0	-59.47	382.83	7.75	-51.72
O=C(C1=CC=CC=C1)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140593	1	50	-1.0	-59.48	382.89	7.77	-51.71
O=C(C1=CC(Br)=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140594	0	34	-1.0	-46.32	302.33	2.50	-43.82
O=C(C1=CC(Br)=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140594	1	34	-1.0	-46.31	302.39	2.53	-43.78
O=C(C1=CC(Br)=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020140594	1	33	-2.0	-95.09	299.85	3.36	-91.73
O=C(C1=CC(Br)=CC=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020140594	1	33	-2.0	-95.14	299.91	3.38	-91.76
O=C(C1=CC(Cl)=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140595	0	34	-1.0	-46.48	297.77	2.40	-44.08
O=C(C1=CC(Cl)=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140595	1	34	-1.0	-46.47	297.83	2.42	-44.05
O=C(C1=CC(Cl)=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020140595	1	33	-2.0	-95.16	295.29	3.25	-91.91
O=C(C1=CC(Cl)=CC=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020140595	1	33	-2.0	-95.13	295.35	3.28	-91.85
O=C(CCNC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140596	0	41	-1.0	-47.99	329.68	4.36	-43.63
O=C(CCNC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140596	1	41	-1.0	-48.01	329.74	4.38	-43.63
CC1=CC=CC=C1NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140597	0	44	-1.0	-48.15	347.54	5.17	-42.98
CC1=CC=CC=C1NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140597	1	44	-1.0	-48.19	347.60	5.20	-42.99
O=C(C1=CC(Cl)=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140598	0	33	-1.0	-44.25	306.14	5.53	-38.72
O=C(C1=CC(Cl)=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140598	1	33	-1.0	-44.29	306.19	5.56	-38.73
O=C(C1=CSC(C2=CC=CO2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140599	0	36	-1.0	-47.40	316.66	4.10	-43.30
O=C(C1=CSC(C2=CC=CO2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140599	1	36	-1.0	-47.41	316.60	4.07	-43.34
COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1O	REAL300020140600	0	38	-1.0	-51.57	310.15	1.91	-49.66
COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1O	REAL300020140600	1	38	-1.0	-51.66	310.21	1.94	-49.72
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(O)=C1	REAL300020140601	0	38	-1.0	-39.74	310.44	1.16	-38.58
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(O)=C1	REAL300020140601	1	38	-1.0	-39.74	310.50	1.19	-38.55
O=C(C1=CC=C(Cl)C=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140602	0	34	-1.0	-37.77	297.76	2.35	-35.42
O=C(C1=CC=C(Cl)C=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140602	1	34	-1.0	-37.73	297.82	2.38	-35.35
O=C(C1=CC=C(Cl)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020140602	1	33	-2.0	-95.21	293.87	3.66	-91.55
O=C(C1=CC=C(Cl)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020140602	1	33	-2.0	-95.17	293.93	3.69	-91.48
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140603	0	33	-2.0	-83.14	293.90	2.92	-80.22
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140603	1	33	-2.0	-83.17	293.95	2.95	-80.22
O=C(C1=CC=C(O)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140603	1	34	-1.0	-44.60	297.46	2.15	-42.45
CC(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(O)C(C(C)C)=C1	REAL300020140604	0	52	-1.0	-48.09	397.10	6.49	-41.60
CC(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(O)C(C(C)C)=C1	REAL300020140604	1	52	-1.0	-48.14	397.16	6.52	-41.62
O=C(CC1=CN2C=CC=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140605	0	39	-1.0	-59.52	320.83	6.05	-53.47
O=C(CC1=CN2C=CC=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140605	1	39	-1.0	-59.55	320.89	6.07	-53.48
CC1=CC(C)=C2C(=C1)SC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2Cl	REAL300020140606	0	42	-1.0	-40.14	356.62	7.40	-32.74
CC1=CC(C)=C2C(=C1)SC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2Cl	REAL300020140606	1	42	-1.0	-40.13	356.68	7.43	-32.70
O=C(C1=C(O)C2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140607	0	40	-1.0	-49.73	327.06	4.35	-45.38
O=C(C1=C(O)C2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140607	1	40	-1.0	-49.75	327.11	4.37	-45.38
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140607	1	39	-2.0	-108.77	323.50	5.19	-103.58
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140607	1	39	-2.0	-108.80	323.56	5.21	-103.59
CC(C)(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(O)C(C(C)(C)C)=C1	REAL300020140608	0	58	-1.0	-47.36	424.24	7.59	-39.77
CC(C)(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(O)C(C(C)(C)C)=C1	REAL300020140608	1	58	-1.0	-47.32	424.30	7.61	-39.71
COC1=CC=C(O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140609	0	38	-1.0	-48.64	310.51	1.17	-47.47
COC1=CC=C(O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140609	1	38	-1.0	-48.64	310.57	1.19	-47.45
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140610	0	35	-2.0	-83.44	304.03	4.17	-79.27
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140610	1	35	-2.0	-83.42	304.09	4.19	-79.23
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C(C)C1=CC=CC=C1	REAL300020140611	0	53	-1.0	-47.55	396.17	8.61	-38.94
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C(C)C1=CC=CC=C1	REAL300020140611	1	53	-1.0	-47.55	396.23	8.64	-38.91
O=C(C1=CC=C(F)C=C1)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140612	0	45	-1.0	-54.07	378.48	7.90	-46.17
O=C(C1=CC=C(F)C=C1)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140612	1	45	-1.0	-54.10	378.53	7.92	-46.18
CC(OC1=CC=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140613	0	40	-1.0	-55.13	322.84	5.74	-49.39
CC(OC1=CC=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140613	1	40	-1.0	-55.09	322.89	5.77	-49.32
O=C(COC1=CC=C(F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140614	0	37	-1.0	-48.35	326.20	5.93	-42.42
O=C(COC1=CC=C(F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140614	1	37	-1.0	-48.33	326.26	5.96	-42.37
O=C(CCOCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140615	0	36	-1.0	-44.82	309.79	2.97	-41.85
O=C(CCOCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140615	1	36	-1.0	-44.75	309.85	3.00	-41.75
CNC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140616	0	44	-1.0	-45.96	359.90	4.22	-41.74
CNC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140616	1	44	-1.0	-45.99	359.96	4.24	-41.75
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300020140617	0	52	-1.0	-46.96	382.76	6.49	-40.47
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300020140617	1	52	-1.0	-47.01	382.81	6.51	-40.50
O=C(C=CC1=CC=C(OCC2=CC=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140618	0	50	-1.0	-42.60	409.57	7.46	-35.14
O=C(C=CC1=CC=C(OCC2=CC=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140618	1	50	-1.0	-42.59	409.52	7.44	-35.15
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=O)CCC1=O	REAL300020140619	0	39	-1.0	-46.18	311.02	3.78	-42.40
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=O)CCC1=O	REAL300020140619	1	39	-1.0	-46.21	311.08	3.81	-42.40
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020140620	0	49	-1.0	-45.41	380.74	7.08	-38.33
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020140620	1	49	-1.0	-45.41	380.79	7.10	-38.31
O=C(C1=CC=C(N2C=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140621	0	40	-1.0	-48.30	326.33	6.84	-41.46
O=C(C1=CC=C(N2C=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140621	1	40	-1.0	-48.32	326.39	6.87	-41.45
CSC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140622	0	45	-1.0	-44.05	378.38	5.93	-38.12
CSC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140622	1	45	-1.0	-44.05	378.43	5.96	-38.09
CSC1=NC(C2=CC=CO2)=NC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140623	0	45	-1.0	-46.76	388.25	5.37	-41.39
CSC1=NC(C2=CC=CO2)=NC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140623	1	45	-1.0	-46.72	388.19	5.34	-41.38
CSC1=NC(C(C)C)=NC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140624	0	47	-1.0	-43.68	389.34	5.45	-38.23
CSC1=NC(C(C)C)=NC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140624	1	47	-1.0	-43.65	389.39	5.48	-38.17
CCOC1=CC=C(C2=NC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020140625	0	49	-1.0	-53.42	409.72	6.67	-46.75
CCOC1=CC=C(C2=NC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020140625	1	49	-1.0	-53.42	409.66	6.65	-46.77
O=C(C1CCN(C2=NN3C=NN=C3C=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140626	0	49	-1.0	-44.82	379.96	7.48	-37.34
O=C(C1CCN(C2=NN3C=NN=C3C=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140626	1	49	-1.0	-44.82	379.90	7.45	-37.37
NS(=O)(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020140627	0	43	-1.0	-51.46	343.84	-1.37	-52.83
NS(=O)(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020140627	1	43	-1.0	-51.39	343.90	-1.34	-52.73
C=CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140628	0	41	-1.0	-45.83	334.69	5.26	-40.57
C=CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140628	1	41	-1.0	-45.86	334.75	5.29	-40.57
C=CCOC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140629	0	41	-1.0	-41.72	334.27	5.48	-36.24
C=CCOC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140629	1	41	-1.0	-41.71	334.32	5.51	-36.20
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020140630	0	49	-1.0	-45.23	392.51	7.31	-37.92
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020140630	1	49	-1.0	-45.19	392.57	7.34	-37.85
CN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2N(C)C1=O	REAL300020140631	0	44	-1.0	-43.85	357.45	4.83	-39.02
CN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2N(C)C1=O	REAL300020140631	1	44	-1.0	-43.87	357.51	4.85	-39.02
CC1=C(C)C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2N1	REAL300020140632	0	43	-1.0	-40.80	343.87	5.66	-35.14
CC1=C(C)C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2N1	REAL300020140632	1	43	-1.0	-40.84	343.93	5.68	-35.16
O=C(CCNC(=O)C1=CC2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140633	0	49	-1.0	-58.38	397.22	6.14	-52.24
O=C(CCNC(=O)C1=CC2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140633	1	49	-1.0	-58.37	397.27	6.17	-52.20
NC(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140634	0	37	-1.0	-57.72	304.46	1.20	-56.52
NC(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140634	1	37	-1.0	-57.74	304.52	1.23	-56.51
O=C(C1=C(C2CC2)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140635	0	47	-1.0	-45.29	370.61	7.28	-38.01
O=C(C1=C(C2CC2)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140635	1	47	-1.0	-45.31	370.67	7.31	-38.00
O=C(C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140636	0	39	-1.0	-46.76	350.91	2.59	-44.17
O=C(C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140636	1	39	-1.0	-46.78	350.97	2.61	-44.17
O=C(C1=CC=CC(NC2=NC=CC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140637	0	43	-1.0	-52.65	351.69	6.97	-45.68
O=C(C1=CC=CC(NC2=NC=CC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140637	1	43	-1.0	-52.69	351.63	6.94	-45.75
O=C(C1CC(=O)N(C2CCS(=O)(=O)C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140638	0	47	-1.0	-58.45	373.50	0.93	-57.52
O=C(C1CC(=O)N(C2CCS(=O)(=O)C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140638	1	47	-1.0	-58.38	373.55	0.95	-57.43
NC(=O)COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140639	0	41	-1.0	-55.67	337.99	1.83	-53.84
NC(=O)COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140639	1	41	-1.0	-55.66	338.05	1.86	-53.80
COC1=CC=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020140640	0	48	-1.0	-49.68	377.66	4.91	-44.77
COC1=CC=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020140640	1	48	-1.0	-49.65	377.71	4.94	-44.71
O=C(CN1CCS(=O)(=O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140641	0	41	-1.0	-54.06	328.84	-1.02	-55.08
O=C(CN1CCS(=O)(=O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140641	1	41	-1.0	-54.06	328.90	-1.00	-55.06
O=C(CNC(=O)C1=CNC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140642	0	46	-1.0	-61.07	378.06	3.34	-57.73
O=C(CNC(=O)C1=CNC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140642	1	46	-1.0	-61.06	378.12	3.36	-57.70
O=C(C1=C(Cl)C2=C(Cl)C=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140643	0	36	-1.0	-40.20	333.77	6.65	-33.55
O=C(C1=C(Cl)C2=C(Cl)C=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140643	1	36	-1.0	-40.19	333.83	6.68	-33.51
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140644	0	48	-1.0	-52.89	391.51	5.92	-46.97
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140644	1	48	-1.0	-52.91	391.57	5.95	-46.96
O=C(CCC1=CC=C(OC(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140645	0	43	-1.0	-48.38	355.36	5.84	-42.54
O=C(CCC1=CC=C(OC(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140645	1	43	-1.0	-48.40	355.42	5.87	-42.53
O=C(C1=C(C2CC2)N(C2=CC=CC=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140646	0	46	-1.0	-47.48	368.81	6.14	-41.34
O=C(C1=C(C2CC2)N(C2=CC=CC=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140646	1	46	-1.0	-47.44	368.87	6.17	-41.27
O=C(C1CC(=O)N(CC2=CC=CO2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140647	0	44	-1.0	-52.78	359.05	4.40	-48.38
O=C(C1CC(=O)N(CC2=CC=CO2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140647	1	44	-1.0	-52.71	359.10	4.43	-48.28
CC1=NOC(C)=C1COC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140648	0	49	-1.0	-56.58	395.94	7.39	-49.19
CC1=NOC(C)=C1COC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140648	1	49	-1.0	-56.60	396.00	7.42	-49.18
O=C(C1=CC(C2=CC=CO2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140649	0	37	-1.0	-45.63	311.53	2.96	-42.67
O=C(C1=CC(C2=CC=CO2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140649	1	37	-1.0	-45.66	311.59	2.98	-42.68
O=C(C1=NNC2=CC=C([N+](=O)[O-])C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140650	0	38	-1.0	-42.39	323.87	4.34	-38.05
O=C(C1=NNC2=CC=C([N+](=O)[O-])C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140650	1	38	-1.0	-42.41	323.93	4.37	-38.04
O=C(CN1C=C([N+](=O)[O-])C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140651	0	35	-1.0	-56.54	305.12	3.58	-52.96
O=C(CN1C=C([N+](=O)[O-])C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140651	1	35	-1.0	-56.49	305.07	3.55	-52.94
COC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140652	0	41	-1.0	-51.39	336.89	2.63	-48.76
COC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140652	1	41	-1.0	-51.43	336.95	2.65	-48.78
O=C(C1=CC=C(N2C=CN=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140653	0	39	-1.0	-46.35	322.85	6.02	-40.33
O=C(C1=CC=C(N2C=CN=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140653	1	39	-1.0	-46.36	322.90	6.04	-40.32
CCCS(=O)(=O)N1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140654	0	47	-1.0	-64.27	367.79	3.34	-60.93
CCCS(=O)(=O)N1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140654	1	47	-1.0	-64.33	367.85	3.36	-60.97
O=C(CN1N=CC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140655	0	41	-1.0	-58.88	341.52	4.45	-54.43
O=C(CN1N=CC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140655	1	41	-1.0	-58.87	341.58	4.47	-54.40
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2)CC1	REAL300020140656	0	40	-1.0	-49.28	335.58	6.78	-42.50
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2)CC1	REAL300020140656	1	40	-1.0	-49.32	335.64	6.81	-42.51
CN1C=CN=C1SCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020140657	0	44	-1.0	-46.68	377.78	6.48	-40.20
CN1C=CN=C1SCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020140657	1	44	-1.0	-46.68	377.72	6.45	-40.23
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=NC=CC(C)=C12	REAL300020140658	0	41	-1.0	-45.09	333.16	5.04	-40.05
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=NC=CC(C)=C12	REAL300020140658	1	41	-1.0	-45.08	333.22	5.07	-40.01
CC1NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN(C2=CC=CC=C2)C1=O	REAL300020140659	0	46	-1.0	-44.23	375.86	3.99	-40.24
CC1NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN(C2=CC=CC=C2)C1=O	REAL300020140659	1	46	-1.0	-44.25	375.91	4.01	-40.24
O=C(C1=CC=C2NC3=C(CCCCC3)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140660	0	50	-1.0	-46.83	379.51	7.37	-39.46
O=C(C1=CC=C2NC3=C(CCCCC3)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140660	1	50	-1.0	-46.84	379.57	7.39	-39.45
CCOC1=CC=C(C2=NC(C)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020140661	0	49	-1.0	-39.51	405.62	6.24	-33.27
CCOC1=CC=C(C2=NC(C)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020140661	1	49	-1.0	-39.50	405.57	6.21	-33.29
O=C(C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140662	0	42	-1.0	-48.53	353.86	5.85	-42.68
O=C(C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140662	1	42	-1.0	-48.49	353.80	5.82	-42.67
CC1=CC=C(N2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C3=C2CCC3)C=C1	REAL300020140663	0	50	-1.0	-49.05	397.09	8.70	-40.35
CC1=CC=C(N2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020140663	1	50	-1.0	-49.08	397.15	8.72	-40.36
O=C(C1=CC=CN=C1)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020140664	0	49	-1.0	-58.43	379.61	4.65	-53.78
O=C(C1=CC=CN=C1)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020140664	1	49	-1.0	-58.48	379.55	4.63	-53.85
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1Cl	REAL300020140665	0	34	-1.0	-41.45	304.53	4.71	-36.74
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1Cl	REAL300020140665	1	34	-1.0	-41.44	304.59	4.74	-36.70
O=C(C1=C2CCCCCN2C(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140666	0	53	-1.0	-50.42	397.43	9.09	-41.33
O=C(C1=C2CCCCCN2C(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140666	1	53	-1.0	-50.38	397.38	9.07	-41.31
COC1=CC=C(CSCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020140667	0	46	-1.0	-58.08	394.62	7.59	-50.49
COC1=CC=C(CSCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020140667	1	46	-1.0	-58.07	394.68	7.61	-50.46
CC(C)(C)C1=CC=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020140668	0	49	-1.0	-44.33	376.83	7.21	-37.12
CC(C)(C)C1=CC=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020140668	1	49	-1.0	-44.34	376.88	7.23	-37.11
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1N1C=NN=N1	REAL300020140669	0	41	-1.0	-53.54	331.10	5.30	-48.24
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1N1C=NN=N1	REAL300020140669	1	41	-1.0	-53.55	331.05	5.27	-48.28
O=C(C1=CC=C(Cl)C2=CC=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140670	0	38	-1.0	-51.66	325.02	5.48	-46.18
O=C(C1=CC=C(Cl)C2=CC=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140670	1	38	-1.0	-51.65	324.97	5.45	-46.20
CC(C)(C)C1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020140671	0	52	-1.0	-46.96	395.08	8.62	-38.34
CC(C)(C)C1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020140671	1	52	-1.0	-46.98	395.14	8.65	-38.33
CC(C)CN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020140672	0	46	-1.0	-47.24	352.84	4.50	-42.74
CC(C)CN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020140672	1	46	-1.0	-47.24	352.90	4.52	-42.72
O=C(C1=NNC2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140673	0	40	-1.0	-42.83	311.22	3.87	-38.96
O=C(C1=NNC2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140673	1	40	-1.0	-42.81	311.28	3.90	-38.91
O=C(CC1C2=CC=CC=C2OC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140674	0	48	-1.0	-56.24	375.16	9.47	-46.77
O=C(CC1C2=CC=CC=C2OC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140674	1	48	-1.0	-56.22	375.21	9.50	-46.72
O=C(C1=CC=CC(S(=O)(=O)NCC2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140675	0	48	-1.0	-52.96	399.05	3.01	-49.95
O=C(C1=CC=CC(S(=O)(=O)NCC2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140675	1	48	-1.0	-52.96	399.11	3.04	-49.92
O=C(COC1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140676	0	39	-1.0	-57.95	331.83	6.03	-51.92
O=C(COC1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140676	1	39	-1.0	-57.96	331.89	6.06	-51.90
CC1=NN(C)C2=NC(C)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020140677	0	44	-1.0	-45.53	356.44	4.77	-40.76
CC1=NN(C)C2=NC(C)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020140677	1	44	-1.0	-45.57	356.50	4.79	-40.78
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020140678	0	43	-1.0	-45.08	353.15	6.09	-38.99
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020140678	1	43	-1.0	-45.04	353.21	6.11	-38.93
O=C(C1=COC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140679	0	30	-1.0	-42.90	273.20	3.22	-39.68
O=C(C1=COC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140679	1	30	-1.0	-42.88	273.26	3.25	-39.63
CCOC1=CC=C(C2=NOC(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020140680	0	51	-1.0	-47.13	418.33	5.14	-41.99
CCOC1=CC=C(C2=NOC(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020140680	1	51	-1.0	-47.12	418.27	5.12	-42.00
O=C(COC1=CC=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140681	0	37	-1.0	-54.14	316.22	5.48	-48.66
O=C(COC1=CC=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140681	1	37	-1.0	-54.12	316.28	5.50	-48.62
O=C(C1=CC=C(OCC2=CC=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140682	0	46	-1.0	-49.33	376.60	5.98	-43.35
O=C(C1=CC=C(OCC2=CC=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140682	1	46	-1.0	-49.30	376.55	5.95	-43.35
O=C(C1=CC=CC=C1OCC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140683	0	46	-1.0	-54.20	373.94	6.81	-47.39
O=C(C1=CC=CC=C1OCC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140683	1	46	-1.0	-54.20	374.00	6.84	-47.36
O=C(C1CCCN1S(=O)(=O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140684	0	48	-1.0	-62.05	382.83	4.79	-57.26
O=C(C1CCCN1S(=O)(=O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140684	1	48	-1.0	-62.05	382.88	4.81	-57.24
O=C(C1=CNC(=S)N1C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140685	0	41	-1.0	-49.89	362.41	7.16	-42.73
O=C(C1=CNC(=S)N1C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140685	1	41	-1.0	-49.90	362.47	7.19	-42.71
CC1=CC=CC=C1C(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(N)=O	REAL300020140686	0	48	-1.0	-45.40	372.98	2.60	-42.80
CC1=CC=CC=C1C(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(N)=O	REAL300020140686	1	48	-1.0	-45.36	373.04	2.62	-42.74
CC1=CC=C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020140687	0	46	-1.0	-46.42	366.02	6.49	-39.93
CC1=CC=C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020140687	1	46	-1.0	-46.45	366.08	6.51	-39.94
CCCC1=CC=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020140688	0	53	-1.0	-48.86	412.53	7.85	-41.01
CCCC1=CC=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020140688	1	53	-1.0	-48.87	412.59	7.88	-40.99
O=C(C1CCN(C2=CN=CC=N2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140689	0	46	-1.0	-49.23	356.51	3.34	-45.89
O=C(C1CCN(C2=CN=CC=N2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140689	1	46	-1.0	-49.19	356.45	3.32	-45.87
CCCCC1=CC=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020140690	0	56	-1.0	-48.85	434.03	8.63	-40.22
CCCCC1=CC=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020140690	1	56	-1.0	-48.86	434.09	8.66	-40.20
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020140691	0	49	-1.0	-46.26	387.78	7.35	-38.91
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020140691	1	49	-1.0	-46.27	387.84	7.37	-38.90
CN1C(=O)NC(=O)C2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C21	REAL300020140692	0	48	-1.0	-52.45	385.77	5.44	-47.01
CN1C(=O)NC(=O)C2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C21	REAL300020140692	1	48	-1.0	-52.45	385.83	5.47	-46.98
O=C(C1CC(=O)N(C2=CC=C3CCCC3=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140693	0	51	-1.0	-42.26	390.99	7.42	-34.84
O=C(C1CC(=O)N(C2=CC=C3CCCC3=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140693	1	51	-1.0	-42.27	391.04	7.44	-34.83
O=C(CC1=CC=C(N2C=NN=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140694	0	41	-1.0	-54.33	343.04	5.66	-48.67
O=C(CC1=CC=C(N2C=NN=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140694	1	41	-1.0	-54.31	342.98	5.63	-48.68
O=C(CCC(=O)C1=CC=CS1)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140695	0	46	-1.0	-47.86	392.19	6.66	-41.20
O=C(CCC(=O)C1=CC=CS1)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140695	1	46	-1.0	-47.84	392.25	6.68	-41.16
O=C(C1CCC(C(F)(F)F)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140696	0	40	-1.0	-54.66	328.40	1.97	-52.69
O=C(C1CCC(C(F)(F)F)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140696	1	40	-1.0	-54.67	328.46	1.99	-52.68
CCOC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1C	REAL300020140697	0	44	-1.0	-43.41	357.46	5.54	-37.87
CCOC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1C	REAL300020140697	1	44	-1.0	-43.38	357.51	5.57	-37.81
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020140698	0	49	-1.0	-45.93	400.73	7.49	-38.44
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020140698	1	49	-1.0	-45.90	400.79	7.51	-38.39
CC1=CC=CC(C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(N)=O)=C1	REAL300020140699	0	48	-1.0	-46.44	377.61	2.53	-43.91
CC1=CC=CC(C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(N)=O)=C1	REAL300020140699	1	48	-1.0	-46.48	377.67	2.55	-43.93
CC(OC1=CC=CC=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140700	0	40	-1.0	-52.82	332.64	6.21	-46.61
CC(OC1=CC=CC=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140700	1	40	-1.0	-52.86	332.70	6.23	-46.63
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=N1	REAL300020140701	0	46	-1.0	-49.64	367.42	7.43	-42.21
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=N1	REAL300020140701	1	46	-1.0	-49.56	367.36	7.41	-42.15
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=NC=CS1	REAL300020140702	0	43	-1.0	-49.93	358.97	6.63	-43.30
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=NC=CS1	REAL300020140702	1	43	-1.0	-49.93	358.91	6.60	-43.33
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CN=C1	REAL300020140703	0	46	-1.0	-49.02	368.76	6.58	-42.44
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CN=C1	REAL300020140703	1	46	-1.0	-49.06	368.81	6.60	-42.46
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1CC1=CC=CC=N1	REAL300020140704	0	49	-1.0	-45.23	390.40	7.32	-37.91
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1CC1=CC=CC=N1	REAL300020140704	1	49	-1.0	-45.22	390.46	7.34	-37.88
O=C(CCOC1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140705	0	40	-1.0	-44.88	330.95	5.13	-39.75
O=C(CCOC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140705	1	40	-1.0	-44.92	331.01	5.16	-39.76
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020140706	0	46	-1.0	-46.61	366.02	6.67	-39.94
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020140706	1	46	-1.0	-46.61	366.08	6.69	-39.92
O=C(CCOC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140707	0	40	-1.0	-45.57	330.95	5.14	-40.43
O=C(CCOC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140707	1	40	-1.0	-45.57	331.01	5.16	-40.41
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020140708	0	49	-1.0	-45.50	382.13	6.86	-38.64
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020140708	1	49	-1.0	-45.49	382.19	6.88	-38.61
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020140709	0	46	-1.0	-45.73	386.12	7.27	-38.46
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020140709	1	46	-1.0	-45.69	386.18	7.30	-38.39
CCCCNC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140710	0	47	-1.0	-44.98	368.28	5.83	-39.15
CCCCNC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140710	1	47	-1.0	-44.97	368.33	5.85	-39.12
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020140711	0	43	-1.0	-46.01	363.27	6.53	-39.48
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020140711	1	43	-1.0	-46.04	363.33	6.55	-39.49
O=C(C1=CC=C(CN2CCCCC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140712	0	50	-1.0	-48.91	390.91	6.80	-42.11
O=C(C1=CC=C(CN2CCCCC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140712	1	50	-1.0	-48.93	390.97	6.83	-42.10
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1)C1CCCCC1	REAL300020140713	0	53	-1.0	-40.65	405.70	6.64	-34.01
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1)C1CCCCC1	REAL300020140713	1	53	-1.0	-40.70	405.75	6.67	-34.03
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC1=O	REAL300020140714	0	36	-1.0	-55.87	304.07	0.69	-55.18
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC1=O	REAL300020140714	1	36	-1.0	-55.87	304.12	0.71	-55.16
CCN(CC)C(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020140715	0	54	-1.0	-52.96	395.51	5.72	-47.24
CCN(CC)C(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020140715	1	54	-1.0	-52.96	395.57	5.74	-47.22
CN1C=C(S(=O)(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020140716	0	41	-1.0	-53.72	353.40	-1.15	-54.87
CN1C=C(S(=O)(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020140716	1	41	-1.0	-53.71	353.34	-1.17	-54.88
CN(C)C(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020140717	0	48	-1.0	-53.87	357.40	3.81	-50.06
CN(C)C(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020140717	1	48	-1.0	-53.92	357.46	3.83	-50.09
CC1=CC=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(Cl)C2=C1	REAL300020140718	0	40	-1.0	-46.22	339.30	6.03	-40.19
CC1=CC=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(Cl)C2=C1	REAL300020140718	1	40	-1.0	-46.23	339.35	6.06	-40.17
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=N1	REAL300020140719	0	45	-1.0	-48.44	363.36	6.67	-41.77
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=N1	REAL300020140719	1	45	-1.0	-48.43	363.30	6.64	-41.79
O=C(NC1CC1)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020140720	0	49	-1.0	-54.81	376.88	4.32	-50.49
O=C(NC1CC1)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020140720	1	49	-1.0	-54.80	376.94	4.35	-50.45
O=C(C1=CSC(CC2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140721	0	42	-1.0	-42.92	374.53	7.28	-35.64
O=C(C1=CSC(CC2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140721	1	42	-1.0	-42.93	374.59	7.31	-35.62
CC(C)COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140722	0	53	-1.0	-52.02	423.33	8.09	-43.93
CC(C)COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140722	1	53	-1.0	-52.02	423.28	8.07	-43.95
O=C(C1=CC=C2NC(=O)CCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140723	0	44	-1.0	-48.12	345.93	4.56	-43.56
O=C(C1=CC=C2NC(=O)CCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140723	1	44	-1.0	-48.05	345.99	4.59	-43.46
O=C(CCOC1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140724	0	40	-1.0	-44.61	341.27	5.59	-39.02
O=C(CCOC1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140724	1	40	-1.0	-44.63	341.33	5.61	-39.02
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(CC2=CC=CC=C2)=N1	REAL300020140725	0	45	-1.0	-38.91	377.86	6.72	-32.19
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(CC2=CC=CC=C2)=N1	REAL300020140725	1	45	-1.0	-38.89	377.92	6.74	-32.15
CC1=CC=C([N+](=O)[O-])C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140726	0	45	-1.0	-48.51	372.00	7.19	-41.32
CC1=CC=C([N+](=O)[O-])C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140726	1	45	-1.0	-48.47	372.06	7.21	-41.26
CC(OCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140727	0	43	-1.0	-50.86	345.39	6.31	-44.55
CC(OCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140727	1	43	-1.0	-50.86	345.45	6.34	-44.52
O=C(C1=NN(C2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140728	0	40	-1.0	-47.71	328.41	6.19	-41.52
O=C(C1=NN(C2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140728	1	40	-1.0	-47.77	328.35	6.16	-41.61
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)S(C)(=O)=O	REAL300020140729	0	37	-1.0	-63.51	312.43	-0.11	-63.62
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020140729	1	37	-1.0	-63.48	312.49	-0.09	-63.57
CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140730	0	53	-1.0	-47.08	400.15	7.20	-39.88
CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140730	1	53	-1.0	-47.05	400.20	7.22	-39.83
O=C(CCN1C=CC=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140731	0	39	-1.0	-54.38	319.87	4.51	-49.87
O=C(CCN1C=CC=CC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140731	1	39	-1.0	-54.45	319.92	4.54	-49.91
O=C(C1CC(=O)N(C2CCCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140732	0	50	-1.0	-54.01	370.14	5.52	-48.49
O=C(C1CC(=O)N(C2CCCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140732	1	50	-1.0	-54.03	370.20	5.54	-48.49
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140733	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	REAL300020140733	1	42	-1.0	-51.02	357.83	6.21	-44.81
O=C(CC1=CC=C(N2C=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140734	0	44	-1.0	-49.53	355.56	8.22	-41.31
O=C(CC1=CC=C(N2C=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140734	1	44	-1.0	-49.52	355.62	8.25	-41.27
CC1=CC=C(N2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C(C)C)C=C1	REAL300020140735	0	52	-1.0	-46.69	397.12	7.47	-39.22
CC1=CC=C(N2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C(C)C)C=C1	REAL300020140735	1	52	-1.0	-46.67	397.17	7.49	-39.18
O=C(COC1=CC=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140736	0	40	-1.0	-56.00	341.06	6.40	-49.60
O=C(COC1=CC=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140736	1	40	-1.0	-55.99	341.12	6.42	-49.57
CC1=CC(C(F)(F)F)=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)OC2=N1	REAL300020140737	0	41	-1.0	-43.60	353.97	3.62	-39.98
CC1=CC(C(F)(F)F)=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)OC2=N1	REAL300020140737	1	41	-1.0	-43.64	354.02	3.64	-40.00
CN(C)S(=O)(=O)C1=CNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140738	0	42	-1.0	-53.33	351.88	0.69	-52.64
CN(C)S(=O)(=O)C1=CNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140738	1	42	-1.0	-53.36	351.93	0.71	-52.65
O=C(C1=CC2=CC(Br)=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140739	0	36	-1.0	-38.20	319.74	5.80	-32.40
O=C(C1=CC2=CC(Br)=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140739	1	36	-1.0	-38.16	319.80	5.82	-32.34
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020140740	0	47	-1.0	-45.52	377.11	0.97	-44.55
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020140740	1	47	-1.0	-45.55	377.17	0.99	-44.56
CC1=NC2=CC(F)=CC=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140741	0	41	-1.0	-44.42	336.93	5.46	-38.96
CC1=NC2=CC(F)=CC=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140741	1	41	-1.0	-44.44	336.99	5.48	-38.96
CC(C)NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140742	0	47	-1.0	-52.83	391.03	2.12	-50.71
CC(C)NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140742	1	47	-1.0	-52.81	391.09	2.14	-50.67
COC1=C2OC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=CC=C1	REAL300020140743	0	40	-1.0	-46.39	327.96	4.46	-41.93
COC1=C2OC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=CC=C1	REAL300020140743	1	40	-1.0	-46.38	328.02	4.48	-41.90
O=C(C1=CC(Cl)=CC=C1N1C=NN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140744	0	38	-1.0	-60.31	331.03	5.35	-54.96
O=C(C1=CC(Cl)=CC=C1N1C=NN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140744	1	38	-1.0	-60.32	330.98	5.32	-55.00
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140745	0	40	-1.0	-46.52	334.77	6.24	-40.28
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140745	1	40	-1.0	-46.55	334.71	6.22	-40.33
O=C(CCOC1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140746	0	40	-1.0	-46.50	356.48	6.06	-40.44
O=C(CCOC1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140746	1	40	-1.0	-46.52	356.54	6.08	-40.44
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2C(=O)NN(C)C2=N1	REAL300020140747	0	42	-1.0	-59.85	345.30	2.65	-57.20
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2C(=O)NN(C)C2=N1	REAL300020140747	1	42	-1.0	-59.83	345.36	2.68	-57.15
O=C(CCOC1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140748	0	40	-1.0	-45.55	340.57	5.63	-39.92
O=C(CCOC1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140748	1	40	-1.0	-45.52	340.63	5.65	-39.87
CC1=NN(C2=CC=CC=C2)C2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020140749	0	48	-1.0	-49.11	393.29	7.70	-41.41
CC1=NN(C2=CC=CC=C2)C2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020140749	1	48	-1.0	-49.11	393.35	7.72	-41.39
O=C(CCCNC(=O)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140750	0	43	-1.0	-49.55	347.78	3.15	-46.40
O=C(CCCNC(=O)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140750	1	43	-1.0	-49.55	347.83	3.18	-46.37
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=N1	REAL300020140751	0	48	-1.0	-47.44	377.00	7.01	-40.43
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=N1	REAL300020140751	1	48	-1.0	-47.43	376.94	6.99	-40.44
CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020140752	0	38	-1.0	-46.72	330.19	-1.13	-47.85
CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020140752	1	38	-1.0	-46.71	330.25	-1.10	-47.81
CC1=CC=CC(C)=C1OCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140753	0	46	-1.0	-46.48	366.29	6.61	-39.87
CC1=CC=CC(C)=C1OCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140753	1	46	-1.0	-46.50	366.35	6.63	-39.87
O=C(C1CC(=O)N(CC(F)(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140754	0	40	-1.0	-51.12	334.26	3.60	-47.52
O=C(C1CC(=O)N(CC(F)(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140754	1	40	-1.0	-51.12	334.32	3.62	-47.50
COC1=NN(C)C2=NC(C)=C(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)C(C)=C12	REAL300020140755	0	54	-1.0	-48.73	424.53	4.38	-44.35
COC1=NN(C)C2=NC(C)=C(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)C(C)=C12	REAL300020140755	1	54	-1.0	-48.73	424.59	4.41	-44.32
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1)C1=CC=C(F)C=C1	REAL300020140756	0	47	-1.0	-41.07	386.06	6.48	-34.59
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1)C1=CC=C(F)C=C1	REAL300020140756	1	47	-1.0	-41.06	386.12	6.50	-34.56
CC(C)NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020140757	0	47	-1.0	-52.77	389.14	2.05	-50.72
CC(C)NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020140757	1	47	-1.0	-52.78	389.20	2.08	-50.70
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1C	REAL300020140758	0	46	-1.0	-46.27	366.09	6.95	-39.32
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1C	REAL300020140758	1	46	-1.0	-46.27	366.15	6.98	-39.29
CC1=NN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=N2)C(C)=C1	REAL300020140759	0	45	-1.0	-46.77	364.90	6.31	-40.46
CC1=NN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=N2)C(C)=C1	REAL300020140759	1	45	-1.0	-46.70	364.84	6.28	-40.42
O=C(C1=C(Cl)C2=CC(Cl)=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140760	0	37	-1.0	-45.60	334.63	5.88	-39.72
O=C(C1=C(Cl)C2=CC(Cl)=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140760	1	37	-1.0	-45.60	334.68	5.90	-39.70
CN(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020140761	0	40	-1.0	-47.68	319.45	4.30	-43.38
CN(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020140761	1	40	-1.0	-47.71	319.40	4.28	-43.43
CCN1N=C(C(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140762	0	45	-1.0	-43.65	350.82	4.90	-38.75
CCN1N=C(C(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140762	1	45	-1.0	-43.71	350.88	4.93	-38.78
CC1=CC=C(C2=NC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020140763	0	42	-1.0	-58.41	362.85	5.31	-53.10
CC1=CC=C(C2=NC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)O1	REAL300020140763	1	42	-1.0	-58.44	362.80	5.28	-53.16
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=CS1	REAL300020140764	0	40	-1.0	-53.05	331.78	3.80	-49.25
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=CS1	REAL300020140764	1	40	-1.0	-53.04	331.83	3.82	-49.22
O=C(CCNS(=O)(=O)C1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140765	0	43	-1.0	-53.06	365.88	0.03	-53.03
O=C(CCNS(=O)(=O)C1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140765	1	43	-1.0	-53.04	365.82	0.00	-53.04
O=C(C1=CC=C(CN2C=CC=N2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140766	0	40	-1.0	-47.90	335.77	4.64	-43.26
O=C(C1=CC=C(CN2C=CC=N2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140766	1	40	-1.0	-47.86	335.71	4.61	-43.25
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=C1OC(F)F	REAL300020140767	0	43	-1.0	-47.12	347.12	5.45	-41.67
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=C1OC(F)F	REAL300020140767	1	43	-1.0	-47.16	347.18	5.48	-41.68
O=C(C1=CC=C(OC2CCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140768	0	47	-1.0	-45.91	363.07	6.61	-39.30
O=C(C1=CC=C(OC2CCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140768	1	47	-1.0	-45.92	363.12	6.63	-39.29
O=C(CC1=CC=CC=C1)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020140769	0	53	-1.0	-54.16	411.58	7.45	-46.71
O=C(CC1=CC=CC=C1)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020140769	1	53	-1.0	-54.19	411.64	7.48	-46.71
CN(C)S(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140770	0	48	-1.0	-42.64	399.04	3.93	-38.71
CN(C)S(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140770	1	48	-1.0	-42.69	399.10	3.95	-38.74
CCNS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140771	0	48	-1.0	-42.49	401.09	2.95	-39.54
CCNS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140771	1	48	-1.0	-42.53	401.15	2.98	-39.55
CC1=CC=CC(NC(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140772	0	45	-1.0	-46.14	365.19	3.11	-43.03
CC1=CC=CC(NC(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140772	1	45	-1.0	-46.16	365.25	3.14	-43.02
COCC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140773	0	40	-1.0	-45.91	317.91	4.28	-41.63
COCC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140773	1	40	-1.0	-45.92	317.97	4.30	-41.62
NS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020140774	0	38	-1.0	-56.03	341.34	-0.44	-56.47
NS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020140774	1	38	-1.0	-56.06	341.40	-0.41	-56.47
CC(C)(C)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020140775	0	46	-1.0	-47.76	350.44	4.34	-43.42
CC(C)(C)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020140775	1	46	-1.0	-47.75	350.49	4.36	-43.39
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=C(F)C=C2)=NO1	REAL300020140776	0	42	-1.0	-43.43	356.93	6.52	-36.91
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=C(F)C=C2)=NO1	REAL300020140776	1	42	-1.0	-43.46	356.88	6.50	-36.96
CC1=CC(C)=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C(C)=C1	REAL300020140777	0	53	-1.0	-49.51	413.23	8.57	-40.94
CC1=CC(C)=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C(C)=C1	REAL300020140777	1	53	-1.0	-49.53	413.29	8.60	-40.93
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2F)CCCC1	REAL300020140778	0	46	-1.0	-43.60	333.54	7.23	-36.37
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2F)CCCC1	REAL300020140778	1	46	-1.0	-43.63	333.60	7.25	-36.38
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C(F)C=C1	REAL300020140779	0	42	-1.0	-45.71	347.13	5.24	-40.47
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C(F)C=C1	REAL300020140779	1	42	-1.0	-45.73	347.19	5.26	-40.47
O=C(C1=CNC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140780	0	39	-1.0	-55.46	319.66	4.41	-51.05
O=C(C1=CNC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140780	1	39	-1.0	-55.45	319.72	4.43	-51.02
O=C(C1=CC=C(C2=CC=CC=C2F)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140781	0	40	-1.0	-39.26	346.82	7.25	-32.01
O=C(C1=CC=C(C2=CC=CC=C2F)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140781	1	40	-1.0	-39.25	346.87	7.28	-31.97
CC(=O)NC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020140782	0	36	-1.0	-40.42	311.04	2.37	-38.05
CC(=O)NC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020140782	1	36	-1.0	-40.44	310.99	2.35	-38.09
O=C(C1=CC=C(S(=O)(=O)N2CCOCC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140783	0	46	-1.0	-47.06	382.20	0.37	-46.69
O=C(C1=CC=C(S(=O)(=O)N2CCOCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140783	1	46	-1.0	-47.07	382.26	0.39	-46.68
O=C(C1CC1)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020140784	0	47	-1.0	-52.76	361.24	5.19	-47.57
O=C(C1CC1)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020140784	1	47	-1.0	-52.80	361.29	5.22	-47.58
O=C(COC1=CC(NC(=O)C2CC2)=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140785	0	48	-1.0	-54.24	390.77	5.82	-48.42
O=C(COC1=CC(NC(=O)C2CC2)=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140785	1	48	-1.0	-54.26	390.83	5.85	-48.41
O=C(C1=NOC(C2=CC=CC=C2Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140786	0	39	-1.0	-43.66	342.27	6.57	-37.09
O=C(C1=NOC(C2=CC=CC=C2Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140786	1	39	-1.0	-43.67	342.21	6.54	-37.13
O=C(CCC1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020140787	0	56	-1.0	-53.76	432.77	8.29	-45.47
O=C(CCC1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020140787	1	56	-1.0	-53.75	432.82	8.31	-45.44
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1NC(=O)C1=CC=CC=C1	REAL300020140788	0	50	-1.0	-62.00	397.08	7.22	-54.78
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1NC(=O)C1=CC=CC=C1	REAL300020140788	1	50	-1.0	-62.04	397.13	7.25	-54.79
CC(C)C(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140789	0	46	-1.0	-52.40	365.48	4.78	-47.62
CC(C)C(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140789	1	46	-1.0	-52.38	365.53	4.80	-47.58
O=C(COC1=CC(NC(=O)C2=CC=CO2)=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140790	0	48	-1.0	-62.22	399.90	5.38	-56.84
O=C(COC1=CC(NC(=O)C2=CC=CO2)=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140790	1	48	-1.0	-62.25	399.95	5.41	-56.84
CC(C)CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140791	0	50	-1.0	-49.21	409.15	2.92	-46.29
CC(C)CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140791	1	50	-1.0	-49.21	409.20	2.94	-46.27
O=C(C1=CC2=C(F)C=C(Br)C=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140792	0	37	-1.0	-44.07	328.63	5.58	-38.49
O=C(C1=CC2=C(F)C=C(Br)C=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140792	1	37	-1.0	-44.07	328.69	5.61	-38.46
O=C(C1=CC2=CC=C(Cl)C=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140793	0	37	-1.0	-43.31	317.56	5.40	-37.91
O=C(C1=CC2=CC=C(Cl)C=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140793	1	37	-1.0	-43.28	317.62	5.42	-37.86
O=C(C1=CC=C2NC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140794	0	37	-1.0	-49.78	306.03	1.24	-48.54
O=C(C1=CC=C2NC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140794	1	37	-1.0	-49.79	306.09	1.27	-48.52
CC1=CC=C(C2=NOC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020140795	0	42	-1.0	-42.28	347.36	6.33	-35.95
CC1=CC=C(C2=NOC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020140795	1	42	-1.0	-42.29	347.30	6.30	-35.99
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1=CC=CC=C1	REAL300020140796	0	44	-1.0	-58.68	369.35	3.11	-55.57
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1=CC=CC=C1	REAL300020140796	1	44	-1.0	-58.76	369.41	3.14	-55.62
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140797	0	50	-1.0	-50.99	392.23	9.15	-41.84
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140797	1	50	-1.0	-51.01	392.29	9.17	-41.84
CC(C)C1=NOC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020140798	0	43	-1.0	-45.86	349.94	2.91	-42.95
CC(C)C1=NOC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020140798	1	43	-1.0	-45.83	350.00	2.93	-42.90
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140799	0	44	-1.0	-58.78	375.94	5.28	-53.50
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140799	1	44	-1.0	-58.77	376.00	5.31	-53.46
O=C(C1=NN(C2=CC=CC=C2F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140800	0	40	-1.0	-51.12	331.94	6.33	-44.79
O=C(C1=NN(C2=CC=CC=C2F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140800	1	40	-1.0	-51.10	331.88	6.31	-44.79
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCOCC1	REAL300020140801	0	47	-1.0	-46.40	346.22	5.15	-41.25
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCOCC1	REAL300020140801	1	47	-1.0	-46.36	346.28	5.18	-41.18
CCCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140802	0	45	-1.0	-54.60	366.13	4.80	-49.80
CCCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140802	1	45	-1.0	-54.59	366.19	4.82	-49.77
CC1=NC(C)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020140803	0	41	-1.0	-56.54	333.49	2.68	-53.86
CC1=NC(C)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020140803	1	41	-1.0	-56.51	333.54	2.70	-53.81
CC1=CC=C(C2=NC(C)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)O1	REAL300020140804	0	42	-1.0	-41.53	359.32	4.92	-36.61
CC1=CC=C(C2=NC(C)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)O1	REAL300020140804	1	42	-1.0	-41.49	359.26	4.90	-36.59
O=C(C1CC(=O)N(CC2=CC=CC=N2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140805	0	46	-1.0	-53.85	373.25	4.46	-49.39
O=C(C1CC(=O)N(CC2=CC=CC=N2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140805	1	46	-1.0	-53.81	373.31	4.48	-49.33
O=C(C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140806	0	45	-1.0	-55.01	375.79	6.98	-48.03
O=C(C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140806	1	45	-1.0	-55.01	375.73	6.96	-48.05
CC(C)(C)C1=NOC(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020140807	0	49	-1.0	-53.98	390.86	4.23	-49.75
CC(C)(C)C1=NOC(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020140807	1	49	-1.0	-54.01	390.92	4.26	-49.75
CC(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140808	0	41	-1.0	-52.20	337.46	5.93	-46.27
CC(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140808	1	41	-1.0	-52.19	337.52	5.95	-46.24
CN1C2=CC=CC=C2C(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140809	0	40	-1.0	-45.43	349.20	6.67	-38.76
CN1C2=CC=CC=C2C(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140809	1	40	-1.0	-45.43	349.26	6.69	-38.74
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1=CC=CN=C1	REAL300020140810	0	43	-1.0	-49.53	363.32	1.36	-48.17
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1=CC=CN=C1	REAL300020140810	1	43	-1.0	-49.52	363.26	1.34	-48.18
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020140811	0	38	-1.0	-53.59	329.51	-0.56	-54.15
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020140811	1	38	-1.0	-53.60	329.57	-0.53	-54.13
COC1=CC=C(C2=NOC(CCCC(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020140812	0	51	-1.0	-56.03	417.97	5.00	-51.03
COC1=CC=C(C2=NOC(CCCC(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020140812	1	51	-1.0	-56.01	417.91	4.98	-51.03
O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140813	0	52	-1.0	-52.05	382.07	4.98	-47.07
O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140813	1	52	-1.0	-52.08	382.13	5.01	-47.07
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140814	0	40	-1.0	-45.69	344.90	6.58	-39.11
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140814	1	40	-1.0	-45.67	344.96	6.61	-39.06
O=C(C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140815	0	42	-1.0	-64.02	356.63	6.85	-57.17
O=C(C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140815	1	42	-1.0	-64.01	356.57	6.83	-57.18
CC1=CC=C(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020140816	0	39	-1.0	-47.33	338.86	4.94	-42.39
CC1=CC=C(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)O1	REAL300020140816	1	39	-1.0	-47.34	338.81	4.91	-42.43
O=C(C(C1=CC=CC=C1)N1CCCCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140817	0	50	-1.0	-55.97	382.42	8.24	-47.73
O=C(C(C1=CC=CC=C1)N1CCCCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140817	1	50	-1.0	-55.98	382.47	8.27	-47.71
CC1=NOC(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020140818	0	40	-1.0	-54.02	329.17	2.63	-51.39
CC1=NOC(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020140818	1	40	-1.0	-54.02	329.23	2.66	-51.36
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140819	0	45	-1.0	-53.91	381.51	7.08	-46.83
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140819	1	45	-1.0	-53.93	381.57	7.11	-46.82
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=C1C(=O)CCC2	REAL300020140820	0	42	-1.0	-50.77	334.27	5.23	-45.54
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=C1C(=O)CCC2	REAL300020140820	1	42	-1.0	-50.81	334.33	5.26	-45.55
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140821	0	45	-1.0	-54.87	363.49	4.73	-50.14
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140821	1	45	-1.0	-54.90	363.55	4.75	-50.15
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1F	REAL300020140822	0	43	-1.0	-47.12	360.85	6.26	-40.86
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1F	REAL300020140822	1	43	-1.0	-47.09	360.91	6.29	-40.80
O=C(C1=CC=CC(OCC2=CC=CS2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140823	0	44	-1.0	-46.78	371.40	6.78	-40.00
O=C(C1=CC=CC(OCC2=CC=CS2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140823	1	44	-1.0	-46.76	371.46	6.80	-39.96
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140824	0	40	-2.0	-86.38	335.36	-0.31	-86.69
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140824	1	40	-2.0	-86.34	335.31	-0.34	-86.68
O=C(C1=CSC(CC2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140825	0	42	-1.0	-44.22	357.79	6.76	-37.46
O=C(C1=CSC(CC2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140825	1	42	-1.0	-44.26	357.85	6.79	-37.47
CC(C)NC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140826	0	48	-1.0	-49.10	380.99	3.56	-45.54
CC(C)NC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140826	1	48	-1.0	-49.08	381.05	3.59	-45.49
CCC(CC)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020140827	0	49	-1.0	-46.83	372.31	5.89	-40.94
CCC(CC)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020140827	1	49	-1.0	-46.87	372.37	5.92	-40.95
O=C(C1=CNC=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140828	0	41	-1.0	-53.91	338.04	6.04	-47.87
O=C(C1=CNC=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140828	1	41	-1.0	-53.94	338.09	6.06	-47.88
O=C(C1=CSC(C2=CC=CC(Cl)=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140829	0	39	-1.0	-46.64	351.14	6.59	-40.05
O=C(C1=CSC(C2=CC=CC(Cl)=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140829	1	39	-1.0	-46.62	351.08	6.57	-40.05
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C12	REAL300020140830	0	50	-1.0	-43.35	394.69	4.86	-38.49
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C12	REAL300020140830	1	50	-1.0	-43.39	394.74	4.88	-38.51
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C12	REAL300020140831	0	50	-1.0	-43.31	396.76	4.74	-38.57
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C12	REAL300020140831	1	50	-1.0	-43.34	396.81	4.77	-38.57
O=C(OCC1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020140832	0	54	-1.0	-52.72	425.35	7.53	-45.19
O=C(OCC1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020140832	1	54	-1.0	-52.74	425.40	7.55	-45.19
O=C(CCNC(=O)OCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140833	0	47	-1.0	-53.60	388.09	4.16	-49.44
O=C(CCNC(=O)OCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140833	1	47	-1.0	-53.66	388.15	4.18	-49.48
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CC1=CC=CC=C1	REAL300020140834	0	46	-1.0	-46.69	374.14	6.54	-40.15
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CC1=CC=CC=C1	REAL300020140834	1	46	-1.0	-46.70	374.20	6.56	-40.14
N#CC(=CC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140835	0	38	-1.0	-42.34	323.77	5.69	-36.65
N#CC(=CC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140835	1	38	-1.0	-42.34	323.83	5.72	-36.62
NC(=S)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140836	0	37	-1.0	-50.46	318.18	3.67	-46.79
NC(=S)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140836	1	37	-1.0	-50.45	318.24	3.69	-46.76
O=C(C=CC1=C(F)C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140837	0	37	-1.0	-48.66	317.22	6.09	-42.57
O=C(C=CC1=C(F)C=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140837	1	37	-1.0	-48.69	317.28	6.11	-42.58
O=C(C1=CC(F)=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140838	0	33	-1.0	-42.17	297.65	5.11	-37.06
O=C(C1=CC(F)=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140838	1	33	-1.0	-42.18	297.71	5.13	-37.05
O=C(C1=CC=CC=C1N1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140839	0	40	-1.0	-56.08	324.46	6.04	-50.04
O=C(C1=CC=CC=C1N1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140839	1	40	-1.0	-56.08	324.40	6.01	-50.07
O=C(CCOC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140840	0	40	-1.0	-45.11	341.27	5.59	-39.52
O=C(CCOC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140840	1	40	-1.0	-45.10	341.32	5.61	-39.49
O=C(C1=CC=C(CN2C=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140841	0	43	-1.0	-52.87	353.78	7.71	-45.16
O=C(C1=CC=C(CN2C=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140841	1	43	-1.0	-52.86	353.83	7.74	-45.12
O=C(C1=C(Br)C2=CC=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140842	0	37	-1.0	-45.98	322.24	5.45	-40.53
O=C(C1=C(Br)C2=CC=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140842	1	37	-1.0	-45.99	322.30	5.47	-40.52
O=C(C1=CC=CN=C1SCC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140843	0	46	-1.0	-40.08	394.05	7.86	-32.22
O=C(C1=CC=CN=C1SCC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140843	1	46	-1.0	-40.15	394.00	7.84	-32.31
O=C(C1=CC=C(C2=CC=CC=C2)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140844	0	43	-1.0	-40.13	350.79	7.89	-32.24
O=C(C1=CC=C(C2=CC=CC=C2)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140844	1	43	-1.0	-40.14	350.85	7.92	-32.22
O=C(C1=CC=CN=C1N1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140845	0	47	-1.0	-49.02	364.29	5.38	-43.64
O=C(C1=CC=CN=C1N1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140845	1	47	-1.0	-49.02	364.34	5.40	-43.62
O=C(CCOCC1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140846	0	44	-1.0	-46.55	347.30	2.96	-43.59
O=C(CCOCC1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140846	1	44	-1.0	-46.53	347.36	2.99	-43.54
O=C(COCCOC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140847	0	44	-1.0	-54.81	359.10	5.61	-49.20
O=C(COCCOC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140847	1	44	-1.0	-54.82	359.16	5.64	-49.18
COC1=CC=CC(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140848	0	44	-1.0	-53.40	358.68	5.16	-48.24
COC1=CC=CC(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140848	1	44	-1.0	-53.41	358.74	5.19	-48.22
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020140849	0	36	-1.0	-46.70	307.08	2.96	-43.74
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020140849	1	36	-1.0	-46.64	307.02	2.93	-43.71
CC1=CC=C(N2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020140850	0	42	-1.0	-46.96	345.49	5.39	-41.57
CC1=CC=C(N2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020140850	1	42	-1.0	-46.99	345.43	5.36	-41.63
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CC1=CC=CC=C1	REAL300020140851	0	49	-1.0	-46.63	392.28	7.18	-39.45
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CC1=CC=CC=C1	REAL300020140851	1	49	-1.0	-46.64	392.34	7.21	-39.43
COCCS(=O)(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140852	0	39	-1.0	-61.86	331.35	-0.52	-62.38
COCCS(=O)(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140852	1	39	-1.0	-61.83	331.41	-0.50	-62.33
O=C(C1CCCN(C2=NC3=CC=CC=C3S2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140853	0	50	-1.0	-49.76	400.75	6.55	-43.21
O=C(C1CCCN(C2=NC3=CC=CC=C3S2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140853	1	50	-1.0	-49.79	400.69	6.52	-43.27
O=C(CC1=CC2=CC=CC=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140854	0	42	-1.0	-56.41	345.02	4.50	-51.91
O=C(CC1=CC2=CC=CC=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140854	1	42	-1.0	-56.36	345.07	4.52	-51.84
CC1=CC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(=O)N2C=C1	REAL300020140855	0	41	-1.0	-58.12	339.94	5.12	-53.00
CC1=CC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(=O)N2C=C1	REAL300020140855	1	41	-1.0	-58.21	340.00	5.14	-53.07
O=C(C1=CN=C(C2=CC=CC=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140856	0	39	-1.0	-39.35	334.70	5.36	-33.99
O=C(C1=CN=C(C2=CC=CC=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140856	1	39	-1.0	-39.34	334.64	5.34	-34.00
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CC1=CC=CC=C1	REAL300020140857	0	52	-1.0	-46.92	413.39	7.98	-38.94
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CC1=CC=CC=C1	REAL300020140857	1	52	-1.0	-46.95	413.45	8.00	-38.95
O=C(CCCN1C(=O)CCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140858	0	42	-1.0	-55.66	342.90	3.70	-51.96
O=C(CCCN1C(=O)CCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140858	1	42	-1.0	-55.67	342.96	3.72	-51.95
O=C(CCOC1=CC=C(F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140859	0	40	-1.0	-47.15	347.16	5.65	-41.50
O=C(CCOC1=CC=C(F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140859	1	40	-1.0	-47.17	347.22	5.68	-41.49
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CS2)O1	REAL300020140860	0	39	-1.0	-43.85	336.18	3.92	-39.93
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CS2)O1	REAL300020140860	1	39	-1.0	-43.88	336.12	3.89	-39.99
O=C(C1=CC(C2=CC=CC(F)=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140861	0	39	-1.0	-40.15	332.37	5.71	-34.44
O=C(C1=CC(C2=CC=CC(F)=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140861	1	39	-1.0	-40.12	332.32	5.68	-34.44
O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140862	0	52	-1.0	-44.03	381.47	4.81	-39.22
O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140862	1	52	-1.0	-44.04	381.53	4.84	-39.20
O=C(CCS(=O)(=O)C1=CC=C2CCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140863	0	49	-1.0	-50.83	400.88	5.19	-45.64
O=C(CCS(=O)(=O)C1=CC=C2CCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140863	1	49	-1.0	-50.79	400.94	5.22	-45.57
O=C(C1=CC2=CC=CC(Br)=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140864	0	36	-1.0	-43.94	319.45	5.65	-38.29
O=C(C1=CC2=CC=CC(Br)=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140864	1	36	-1.0	-43.95	319.50	5.67	-38.28
O=C(C1=NN(C2=CC=CC=C2F)C2=C1CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140865	0	47	-1.0	-53.22	381.88	8.15	-45.07
O=C(C1=NN(C2=CC=CC=C2F)C2=C1CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140865	1	47	-1.0	-53.22	381.93	8.18	-45.04
CC(C)CC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140866	0	53	-1.0	-44.63	417.41	8.74	-35.89
CC(C)CC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140866	1	53	-1.0	-44.63	417.47	8.77	-35.86
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140867	0	41	-1.0	-54.80	351.50	5.68	-49.12
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140867	1	41	-1.0	-54.86	351.44	5.65	-49.21
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140868	0	48	-1.0	-66.35	400.59	5.00	-61.35
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140868	1	48	-1.0	-66.38	400.65	5.03	-61.35
CCN1CCN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)C1=O	REAL300020140869	0	44	-1.0	-59.94	355.19	3.73	-56.21
CCN1CCN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)C1=O	REAL300020140869	1	44	-1.0	-59.91	355.25	3.76	-56.15
COC1=CC=C2NC=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020140870	0	44	-1.0	-53.67	356.12	4.78	-48.89
COC1=CC=C2NC=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020140870	1	44	-1.0	-53.73	356.18	4.80	-48.93
O=C(C1CCN(C2=NC=CC=N2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140871	0	46	-1.0	-50.62	358.03	5.46	-45.16
O=C(C1CCN(C2=NC=CC=N2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140871	1	46	-1.0	-50.57	357.97	5.44	-45.13
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020140872	0	47	-1.0	-47.17	377.67	8.35	-38.82
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020140872	1	47	-1.0	-47.18	377.72	8.37	-38.81
O=C(C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140873	0	42	-1.0	-53.63	353.76	7.53	-46.10
O=C(C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140873	1	42	-1.0	-53.68	353.82	7.56	-46.12
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(S(N)(=O)=O)=C(C)O1	REAL300020140874	0	41	-1.0	-51.28	348.80	-0.71	-51.99
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(S(N)(=O)=O)=C(C)O1	REAL300020140874	1	41	-1.0	-51.28	348.86	-0.69	-51.97
CN(C)C1=NC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140875	0	40	-1.0	-48.39	321.98	3.39	-45.00
CN(C)C1=NC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140875	1	40	-1.0	-48.42	322.04	3.42	-45.00
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC(C(C)C)=C1	REAL300020140876	0	56	-1.0	-41.49	433.95	10.27	-31.22
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC(C(C)C)=C1	REAL300020140876	1	56	-1.0	-41.49	434.01	10.30	-31.19
CCC1=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020140877	0	43	-1.0	-49.48	359.07	7.15	-42.33
CCC1=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020140877	1	43	-1.0	-49.53	359.12	7.17	-42.36
CC(OC1=CC=C2CCCC2=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140878	0	47	-1.0	-50.53	361.85	7.57	-42.96
CC(OC1=CC=C2CCCC2=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140878	1	47	-1.0	-50.54	361.90	7.60	-42.94
O=C(CCCC1=NC(C2=CC=C(F)C=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140879	0	47	-1.0	-54.19	394.92	5.75	-48.44
O=C(CCCC1=NC(C2=CC=C(F)C=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140879	1	47	-1.0	-54.16	394.86	5.73	-48.43
O=C(C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140880	0	50	-1.0	-46.43	401.99	9.21	-37.22
O=C(C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140880	1	50	-1.0	-46.45	401.94	9.18	-37.27
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140881	0	40	-1.0	-38.26	348.72	6.72	-31.54
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140881	1	40	-1.0	-38.26	348.78	6.74	-31.52
CC(OC1=CC=C(F)C=C1Br)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140882	0	40	-1.0	-51.35	343.43	6.38	-44.97
CC(OC1=CC=C(F)C=C1Br)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140882	1	40	-1.0	-51.36	343.48	6.40	-44.96
O=C(CCCC1=NC(C2=CC=CS2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140883	0	44	-1.0	-56.02	379.43	4.69	-51.33
O=C(CCCC1=NC(C2=CC=CS2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140883	1	44	-1.0	-56.01	379.37	4.67	-51.34
CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1I	REAL300020140884	0	36	-1.0	-46.86	312.77	6.00	-40.86
CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1I	REAL300020140884	1	36	-1.0	-46.91	312.83	6.02	-40.89
COC1=CC(OC)=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C1OC	REAL300020140885	0	49	-1.0	-47.49	393.01	3.51	-43.98
COC1=CC(OC)=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C1OC	REAL300020140885	1	49	-1.0	-47.51	393.07	3.53	-43.98
COC1=CC=CC(COC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140886	0	47	-1.0	-52.09	374.90	5.61	-46.48
COC1=CC=CC(COC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140886	1	47	-1.0	-52.10	374.96	5.64	-46.46
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140887	0	47	-1.0	-56.98	389.14	3.01	-53.97
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140887	1	47	-1.0	-56.96	389.20	3.03	-53.93
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C(C)C)=N1	REAL300020140888	0	41	-1.0	-37.78	337.73	4.32	-33.46
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C(C)C)=N1	REAL300020140888	1	41	-1.0	-37.80	337.79	4.35	-33.45
CCCC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020140889	0	41	-1.0	-37.90	338.99	4.47	-33.43
CCCC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020140889	1	41	-1.0	-37.91	339.04	4.49	-33.42
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140890	0	48	-1.0	-54.63	392.79	5.52	-49.11
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140890	1	48	-1.0	-54.65	392.85	5.54	-49.11
N#CC1=CC=CC=C1COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140891	0	48	-1.0	-48.43	399.19	8.13	-40.30
N#CC1=CC=CC=C1COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140891	1	48	-1.0	-48.42	399.24	8.16	-40.26
O=C(C1=CC=C(N2CCOC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140892	0	42	-1.0	-57.59	336.86	4.46	-53.13
O=C(C1=CC=C(N2CCOC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140892	1	42	-1.0	-57.60	336.91	4.49	-53.11
O=C(C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140893	0	42	-1.0	-47.51	356.67	6.25	-41.26
O=C(C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140893	1	42	-1.0	-47.49	356.61	6.22	-41.27
O=C(C1=CC=CC(N2CCNC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140894	0	43	-1.0	-64.67	340.75	3.09	-61.58
O=C(C1=CC=CC(N2CCNC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140894	1	43	-1.0	-64.63	340.81	3.12	-61.51
CC1=NN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020140895	0	45	-1.0	-48.65	360.58	5.90	-42.75
CC1=NN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020140895	1	45	-1.0	-48.65	360.64	5.92	-42.73
CC1=CC(NC(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020140896	0	36	-1.0	-41.36	300.78	2.01	-39.35
CC1=CC(NC(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020140896	1	36	-1.0	-41.32	300.84	2.04	-39.28
O=C(NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C1=CNC(=O)C=C1	REAL300020140897	0	47	-1.0	-57.76	384.15	3.32	-54.44
O=C(NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C1=CNC(=O)C=C1	REAL300020140897	1	47	-1.0	-57.75	384.20	3.35	-54.40
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL300020140898	0	46	-1.0	-43.69	354.92	7.85	-35.84
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL300020140898	1	46	-1.0	-43.72	354.98	7.87	-35.85
CC(C)OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020140899	0	42	-1.0	-37.88	339.55	3.03	-34.85
CC(C)OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020140899	1	42	-1.0	-37.84	339.50	3.00	-34.84
O=C(CC1=NN2C=CC=NC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140900	0	37	-1.0	-62.76	311.88	5.35	-57.41
O=C(CC1=NN2C=CC=NC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140900	1	37	-1.0	-62.75	311.94	5.38	-57.37
O=C(C1=CN=C2NC(=O)NC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140901	0	38	-1.0	-38.88	321.05	-0.17	-39.05
O=C(C1=CN=C2NC(=O)NC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140901	1	38	-1.0	-38.90	321.11	-0.15	-39.05
CC(C)CS(=O)(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140902	0	44	-1.0	-49.56	356.54	2.49	-47.07
CC(C)CS(=O)(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140902	1	44	-1.0	-49.50	356.59	2.52	-46.98
O=C(C1=CC(Cl)=C(Br)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140903	0	31	-1.0	-41.86	292.44	3.76	-38.10
O=C(C1=CC(Cl)=C(Br)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140903	1	31	-1.0	-41.86	292.49	3.78	-38.08
C=CCNS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020140904	0	45	-1.0	-52.34	378.58	1.75	-50.59
C=CCNS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020140904	1	45	-1.0	-52.34	378.64	1.77	-50.57
O=C(C1=CC(C2=CC=CC=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140905	0	39	-1.0	-42.35	325.95	5.65	-36.70
O=C(C1=CC(C2=CC=CC=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140905	1	39	-1.0	-42.36	325.89	5.63	-36.73
O=C(CC1=CC=C(OC(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140906	0	40	-1.0	-47.84	340.67	5.23	-42.61
O=C(CC1=CC=C(OC(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140906	1	40	-1.0	-47.82	340.73	5.25	-42.57
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020140907	0	47	-1.0	-46.63	377.90	6.86	-39.77
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020140907	1	47	-1.0	-46.60	377.84	6.83	-39.77
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140908	0	49	-1.0	-52.97	397.40	7.61	-45.36
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140908	1	49	-1.0	-53.02	397.45	7.64	-45.38
N#CC1=CC=C(CSCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140909	0	41	-1.0	-52.03	359.95	7.25	-44.78
N#CC1=CC=C(CSCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140909	1	41	-1.0	-52.01	360.00	7.27	-44.74
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020140910	0	47	-1.0	-56.89	383.11	4.10	-52.79
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020140910	1	47	-1.0	-56.88	383.05	4.08	-52.80
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300020140911	0	41	-1.0	-52.04	338.85	3.94	-48.10
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300020140911	1	41	-1.0	-51.99	338.91	3.97	-48.02
O=C(C1=CC=CC(N2CCOC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140912	0	42	-1.0	-64.83	338.62	4.48	-60.35
O=C(C1=CC=CC(N2CCOC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140912	1	42	-1.0	-64.82	338.67	4.51	-60.31
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C(C)(C)C	REAL300020140913	0	45	-1.0	-46.12	342.11	4.39	-41.73
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C(C)(C)C	REAL300020140913	1	45	-1.0	-46.13	342.17	4.42	-41.71
CC1=NN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020140914	0	43	-1.0	-47.34	350.75	6.23	-41.11
CC1=NN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020140914	1	43	-1.0	-47.33	350.80	6.26	-41.07
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140915	0	49	-1.0	-54.38	393.84	7.63	-46.75
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140915	1	49	-1.0	-54.38	393.89	7.66	-46.72
O=C(CS(=O)(=O)C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140916	0	42	-1.0	-63.64	339.58	2.33	-61.31
O=C(CS(=O)(=O)C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140916	1	42	-1.0	-63.62	339.63	2.35	-61.27
CCOC1=CC=CC2=C1OCC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020140917	0	46	-1.0	-42.94	367.56	5.73	-37.21
CCOC1=CC=CC2=C1OCC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020140917	1	46	-1.0	-42.97	367.62	5.75	-37.22
O=C(C1=CC([N+](=O)[O-])=CC=C1OC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140918	0	46	-1.0	-44.50	383.81	8.86	-35.64
O=C(C1=CC([N+](=O)[O-])=CC=C1OC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140918	1	46	-1.0	-44.54	383.87	8.88	-35.66
COC1=CC=CC=C1C1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140919	0	44	-1.0	-46.47	355.71	4.43	-42.04
COC1=CC=CC=C1C1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140919	1	44	-1.0	-46.44	355.76	4.46	-41.98
COC1=CC=C(C2=NNC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C(OC)=C1	REAL300020140920	0	48	-1.0	-46.66	385.13	3.72	-42.94
COC1=CC=C(C2=NNC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C(OC)=C1	REAL300020140920	1	48	-1.0	-46.68	385.19	3.75	-42.93
O=C(C1=CC(C2=CC=CS2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140921	0	37	-1.0	-38.73	320.61	3.97	-34.76
O=C(C1=CC(C2=CC=CS2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140921	1	37	-1.0	-38.72	320.67	4.00	-34.72
COC1=CC(C#N)=CC=C1OCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140922	0	48	-1.0	-55.33	396.10	6.16	-49.17
COC1=CC(C#N)=CC=C1OCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140922	1	48	-1.0	-55.37	396.16	6.18	-49.19
CC(C)CC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140923	0	42	-1.0	-43.03	332.81	3.90	-39.13
CC(C)CC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140923	1	42	-1.0	-43.09	332.87	3.92	-39.17
COCCOC(=O)C1=C(C)NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020140924	0	50	-1.0	-48.69	413.85	4.30	-44.39
COCCOC(=O)C1=C(C)NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020140924	1	50	-1.0	-48.68	413.91	4.33	-44.35
CC(NC(=O)C1=CC=CC(Cl)=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140925	0	43	-1.0	-44.25	374.84	4.82	-39.43
CC(NC(=O)C1=CC=CC(Cl)=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140925	1	43	-1.0	-44.21	374.90	4.85	-39.36
O=C(C1=CC2=CC([N+](=O)[O-])=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140926	0	38	-1.0	-43.82	326.34	5.73	-38.09
O=C(C1=CC2=CC([N+](=O)[O-])=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140926	1	38	-1.0	-43.80	326.40	5.76	-38.04
CCC(OC1=CC=CC=C1C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140927	0	46	-1.0	-49.76	351.98	6.96	-42.80
CCC(OC1=CC=CC=C1C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140927	1	46	-1.0	-49.77	352.04	6.99	-42.78
O=C(C1=CC(C2=CC=C3OCOC3=C2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140928	0	43	-1.0	-41.85	354.48	3.51	-38.34
O=C(C1=CC(C2=CC=C3OCOC3=C2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140928	1	43	-1.0	-41.77	354.53	3.53	-38.24
CCOC1=CC=CC=C1C1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140929	0	47	-1.0	-46.34	377.56	5.36	-40.98
CCOC1=CC=CC=C1C1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140929	1	47	-1.0	-46.33	377.62	5.38	-40.95
O=C(CC1=CC=C(N2C=CC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140930	0	43	-1.0	-52.59	353.09	6.67	-45.92
O=C(CC1=CC=C(N2C=CC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140930	1	43	-1.0	-52.56	353.03	6.64	-45.92
O=C(CCCOC1=CC=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140931	0	49	-1.0	-52.29	391.07	8.17	-44.12
O=C(CCCOC1=CC=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140931	1	49	-1.0	-52.35	391.13	8.20	-44.15
CC(C)(C)N1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020140932	0	45	-1.0	-46.30	350.04	4.64	-41.66
CC(C)(C)N1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020140932	1	45	-1.0	-46.29	349.98	4.61	-41.68
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C	REAL300020140933	0	42	-1.0	-46.47	333.38	4.16	-42.31
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C	REAL300020140933	1	42	-1.0	-46.54	333.44	4.19	-42.35
COC1=CC=C2C(=C1)C=CN2CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140934	0	44	-1.0	-53.06	357.38	6.15	-46.91
COC1=CC=C2C(=C1)C=CN2CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140934	1	44	-1.0	-53.03	357.44	6.18	-46.85
O=C(C1=CC2=C(Cl)C(Cl)=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140935	0	37	-1.0	-46.25	332.63	5.86	-40.39
O=C(C1=CC2=C(Cl)C(Cl)=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140935	1	37	-1.0	-46.24	332.69	5.88	-40.36
CC(OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1)C1=CC=CC=C1	REAL300020140936	0	49	-1.0	-45.61	397.79	6.05	-39.56
CC(OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1)C1=CC=CC=C1	REAL300020140936	1	49	-1.0	-45.67	397.74	6.03	-39.64
CC1=CC=C(C)N1C1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020140937	0	46	-1.0	-55.89	376.65	7.81	-48.08
CC1=CC=C(C)N1C1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020140937	1	46	-1.0	-55.88	376.71	7.84	-48.04
O=C(CCSC1=CC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140938	0	40	-1.0	-45.71	354.06	7.26	-38.45
O=C(CCSC1=CC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140938	1	40	-1.0	-45.71	354.12	7.28	-38.43
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020140939	0	42	-1.0	-45.23	331.70	6.68	-38.55
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020140939	1	42	-1.0	-45.26	331.75	6.71	-38.55
COC1=CC(C(C)=O)=CC=C1OCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140940	0	52	-1.0	-59.26	416.45	6.18	-53.08
COC1=CC(C(C)=O)=CC=C1OCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140940	1	52	-1.0	-59.28	416.50	6.20	-53.08
CC(=O)NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020140941	0	43	-1.0	-60.16	341.09	4.11	-56.05
CC(=O)NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020140941	1	43	-1.0	-60.19	341.15	4.13	-56.06
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C(C)(C)C	REAL300020140942	0	45	-1.0	-48.34	344.42	5.07	-43.27
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C(C)(C)C	REAL300020140942	1	45	-1.0	-48.34	344.47	5.09	-43.25
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300020140943	0	47	-1.0	-55.90	383.25	4.09	-51.81
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300020140943	1	47	-1.0	-55.87	383.31	4.11	-51.76
CC(C)CS(=O)(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140944	0	41	-1.0	-63.03	334.43	1.97	-61.06
CC(C)CS(=O)(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140944	1	41	-1.0	-63.06	334.48	1.99	-61.07
O=C(CCS(=O)(=O)C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140945	0	45	-1.0	-49.17	361.68	2.83	-46.34
O=C(CCS(=O)(=O)C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140945	1	45	-1.0	-49.21	361.74	2.86	-46.35
N#CC1=CC=C(CS(=O)(=O)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140946	0	43	-1.0	-67.95	378.41	3.81	-64.14
N#CC1=CC=C(CS(=O)(=O)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140946	1	43	-1.0	-68.00	378.47	3.84	-64.16
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020140947	0	40	-1.0	-49.48	320.63	5.26	-44.22
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020140947	1	40	-1.0	-49.43	320.69	5.28	-44.15
CC(C)C1=CC=C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140948	0	46	-1.0	-47.52	373.41	7.89	-39.63
CC(C)C1=CC=C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140948	1	46	-1.0	-47.58	373.47	7.91	-39.67
O=C(C1=C(Br)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140949	0	30	-1.0	-37.02	279.57	4.07	-32.95
O=C(C1=C(Br)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140949	1	30	-1.0	-37.02	279.62	4.10	-32.92
O=C(C1=CC2=CC(Cl)=C(Cl)C=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140950	0	37	-1.0	-42.94	332.68	5.86	-37.08
O=C(C1=CC2=CC(Cl)=C(Cl)C=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140950	1	37	-1.0	-42.97	332.73	5.89	-37.08
O=C(C1=NC(N2CCCC2)=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140951	0	43	-1.0	-42.29	354.33	5.54	-36.75
O=C(C1=NC(N2CCCC2)=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140951	1	43	-1.0	-42.32	354.27	5.51	-36.81
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140952	0	48	-1.0	-49.14	382.20	8.63	-40.51
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140952	1	48	-1.0	-49.16	382.25	8.66	-40.50
O=C(C1=CC=C(C2=CC=CC=C2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140953	0	43	-1.0	-50.75	345.68	4.95	-45.80
O=C(C1=CC=C(C2=CC=CC=C2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140953	1	43	-1.0	-50.70	345.62	4.93	-45.77
O=C(NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1)C1=CC=NC=C1	REAL300020140954	0	43	-1.0	-39.57	362.75	3.82	-35.75
O=C(NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1)C1=CC=NC=C1	REAL300020140954	1	43	-1.0	-39.59	362.69	3.79	-35.80
CC1=NN(C)C2=NC(C)=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C(C)=C12	REAL300020140955	0	50	-1.0	-54.57	389.44	6.03	-48.54
CC1=NN(C)C2=NC(C)=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C(C)=C12	REAL300020140955	1	50	-1.0	-54.55	389.50	6.05	-48.50
O=C(CCN1C2=C(C=CC=C2)C2=C1C=CC=C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140956	0	49	-1.0	-46.34	394.84	9.50	-36.84
O=C(CCN1C2=C(C=CC=C2)C2=C1C=CC=C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140956	1	49	-1.0	-46.38	394.89	9.53	-36.85
CC(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140957	0	45	-1.0	-51.27	369.97	3.46	-47.81
CC(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140957	1	45	-1.0	-51.27	370.03	3.49	-47.78
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300020140958	0	36	-1.0	-39.91	318.63	5.92	-33.99
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300020140958	1	36	-1.0	-39.92	318.69	5.95	-33.97
O=C(C1=CC2=C(CCC2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140959	0	40	-1.0	-49.10	320.36	3.22	-45.88
O=C(C1=CC2=C(CCC2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140959	1	40	-1.0	-49.10	320.42	3.24	-45.86
O=C(C(OC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140960	0	47	-1.0	-51.39	374.83	8.58	-42.81
O=C(C(OC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140960	1	47	-1.0	-51.44	374.88	8.60	-42.84
O=C(CN1CCCCCCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140961	0	46	-1.0	-52.35	339.44	5.29	-47.06
O=C(CN1CCCCCCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140961	1	46	-1.0	-52.31	339.50	5.32	-46.99
CN1C(=O)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020140962	0	42	-1.0	-47.92	340.24	5.27	-42.65
CN1C(=O)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020140962	1	42	-1.0	-47.96	340.30	5.30	-42.66
CC1=NN(C(C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020140963	0	45	-1.0	-43.98	355.26	5.13	-38.85
CC1=NN(C(C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020140963	1	45	-1.0	-43.96	355.32	5.16	-38.80
COC(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020140964	0	38	-1.0	-45.46	320.16	4.12	-41.34
COC(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020140964	1	38	-1.0	-45.45	320.11	4.09	-41.36
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140965	0	49	-1.0	-52.73	407.71	8.05	-44.68
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140965	1	49	-1.0	-52.71	407.77	8.08	-44.63
O=C(CC1=NN(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140966	0	42	-1.0	-57.41	348.39	5.28	-52.13
O=C(CC1=NN(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140966	1	42	-1.0	-57.44	348.45	5.30	-52.14
O=C(CC1NC(=O)N(C2=CC=C(F)C=C2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140967	0	45	-1.0	-45.64	369.90	3.73	-41.91
O=C(CC1NC(=O)N(C2=CC=C(F)C=C2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140967	1	45	-1.0	-45.61	369.96	3.76	-41.85
O=C(C1=CC=C(N2C=CNC2=S)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140968	0	41	-1.0	-58.96	352.55	7.17	-51.79
O=C(C1=CC=C(N2C=CNC2=S)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140968	1	41	-1.0	-58.99	352.61	7.19	-51.80
COC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020140969	0	48	-1.0	-47.96	392.45	6.10	-41.86
COC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020140969	1	48	-1.0	-47.88	392.50	6.12	-41.76
CC1=NN=NN1C(CC1=CC=CC(F)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140970	0	47	-1.0	-55.30	383.42	5.82	-49.48
CC1=NN=NN1C(CC1=CC=CC(F)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140970	1	47	-1.0	-55.32	383.47	5.85	-49.47
CCCCCCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140971	0	53	-1.0	-46.14	406.64	8.69	-37.45
CCCCCCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140971	1	53	-1.0	-46.17	406.70	8.71	-37.46
COC(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140972	0	39	-1.0	-52.73	324.73	5.07	-47.66
COC(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140972	1	39	-1.0	-52.72	324.79	5.09	-47.63
CC(NC(=O)C1CCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140973	0	46	-1.0	-40.90	354.73	3.42	-37.48
CC(NC(=O)C1CCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140973	1	46	-1.0	-40.91	354.78	3.45	-37.46
O=C(CCCCC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140974	0	45	-1.0	-46.60	380.39	8.45	-38.15
O=C(CCCCC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140974	1	45	-1.0	-46.64	380.45	8.47	-38.17
CC(C)(C)C1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140975	0	42	-1.0	-38.02	330.99	3.73	-34.29
CC(C)(C)C1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140975	1	42	-1.0	-38.00	331.05	3.75	-34.25
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140976	0	46	-1.0	-47.71	373.89	3.72	-43.99
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140976	1	46	-1.0	-47.71	373.95	3.75	-43.96
CC1=CC=C(C2=NNC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020140977	0	40	-1.0	-39.90	333.45	3.78	-36.12
CC1=CC=C(C2=NNC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020140977	1	40	-1.0	-39.89	333.51	3.81	-36.08
O=C(CCCOC1=CC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140978	0	43	-1.0	-52.58	366.45	6.50	-46.08
O=C(CCCOC1=CC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140978	1	43	-1.0	-52.60	366.51	6.53	-46.07
COC1=CC=CC(CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N2N=NN=C2C)=C1	REAL300020140979	0	51	-1.0	-55.68	406.51	5.05	-50.63
COC1=CC=CC(CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N2N=NN=C2C)=C1	REAL300020140979	1	51	-1.0	-55.70	406.57	5.08	-50.62
CC1=NN=NN1C(CC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140980	0	47	-1.0	-54.55	387.55	6.08	-48.47
CC1=NN=NN1C(CC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140980	1	47	-1.0	-54.58	387.61	6.11	-48.47
O=C(C1=NN(CC2=CC=CC=C2)C(=O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140981	0	47	-1.0	-43.48	382.84	5.82	-37.66
O=C(C1=NN(CC2=CC=CC=C2)C(=O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140981	1	47	-1.0	-43.50	382.90	5.85	-37.65
O=C(NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CS1	REAL300020140982	0	47	-1.0	-49.13	400.52	5.58	-43.55
O=C(NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CS1	REAL300020140982	1	47	-1.0	-49.13	400.57	5.60	-43.53
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=NC2=NN1	REAL300020140983	0	38	-1.0	-53.50	313.13	2.95	-50.55
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=NC2=NN1	REAL300020140983	1	38	-1.0	-53.45	313.18	2.97	-50.48
CC1=C(S(=O)(=O)N2CCCC2)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020140984	0	48	-1.0	-42.25	390.31	2.49	-39.76
CC1=C(S(=O)(=O)N2CCCC2)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020140984	1	48	-1.0	-42.24	390.37	2.52	-39.72
CC(C)(C)N1C=C(C(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020140985	0	44	-1.0	-45.94	361.31	4.34	-41.60
CC(C)(C)N1C=C(C(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020140985	1	44	-1.0	-45.93	361.37	4.37	-41.56
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=C2NC=NC2=NC=N1	REAL300020140986	0	42	-1.0	-51.18	336.24	4.23	-46.95
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=C2NC=NC2=NC=N1	REAL300020140986	1	42	-1.0	-51.21	336.30	4.25	-46.96
O=C(C1=C(Cl)N=C2C=CC=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140987	0	36	-1.0	-48.67	318.21	5.34	-43.33
O=C(C1=C(Cl)N=C2C=CC=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140987	1	36	-1.0	-48.67	318.15	5.31	-43.36
O=C(C1=NC(N2CCOCC2)=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140988	0	44	-1.0	-42.84	360.74	4.24	-38.60
O=C(C1=NC(N2CCOCC2)=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140988	1	44	-1.0	-42.79	360.68	4.21	-38.58
O=C(C1=NC(NCC2=CC=CO2)=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140989	0	43	-1.0	-44.60	374.23	6.14	-38.46
O=C(C1=NC(NCC2=CC=CO2)=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140989	1	43	-1.0	-44.58	374.18	6.11	-38.47
O=C(CN1C=CC([N+](=O)[O-])=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140990	0	35	-1.0	-63.98	305.39	4.52	-59.46
O=C(CN1C=CC([N+](=O)[O-])=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140990	1	35	-1.0	-64.00	305.34	4.50	-59.50
COC1=CC(N2C=NN=N2)=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140991	0	42	-1.0	-52.60	355.79	5.45	-47.15
COC1=CC(N2C=NN=N2)=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140991	1	42	-1.0	-52.61	355.73	5.43	-47.18
O=C(CCCC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140992	0	42	-1.0	-48.69	354.30	7.55	-41.14
O=C(CCCC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140992	1	42	-1.0	-48.67	354.35	7.57	-41.10
O=C(CCOC1=CC=C(F)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140993	0	40	-1.0	-44.22	347.01	5.70	-38.52
O=C(CCOC1=CC=C(F)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140993	1	40	-1.0	-44.24	347.07	5.73	-38.51
O=C(CCOC1=CC(Cl)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140994	0	40	-1.0	-45.48	357.33	6.16	-39.32
O=C(CCOC1=CC(Cl)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140994	1	40	-1.0	-45.45	357.39	6.19	-39.26
CC(C)C(=O)NC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020140995	0	45	-1.0	-53.44	374.36	4.04	-49.40
CC(C)C(=O)NC1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020140995	1	45	-1.0	-53.43	374.42	4.06	-49.37
O=C(C1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140996	0	46	-1.0	-48.76	376.06	5.94	-42.82
O=C(C1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140996	1	46	-1.0	-48.72	376.01	5.92	-42.80
O=C(C1=CC=C(OC2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140997	0	43	-1.0	-47.11	354.99	4.75	-42.36
O=C(C1=CC=C(OC2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140997	1	43	-1.0	-47.10	354.93	4.72	-42.38
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C(C)(C)C	REAL300020140998	0	48	-1.0	-46.36	359.07	4.99	-41.37
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C(C)(C)C	REAL300020140998	1	48	-1.0	-46.37	359.13	5.01	-41.36
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(Br)=C1	REAL300020140999	0	33	-1.0	-38.50	291.29	4.21	-34.29
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(Br)=C1	REAL300020140999	1	33	-1.0	-38.49	291.34	4.23	-34.26
O=C(CCCN1C=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141000	0	45	-1.0	-56.64	364.94	7.83	-48.81
O=C(CCCN1C=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141000	1	45	-1.0	-56.61	365.00	7.86	-48.75
O=C(CSCC1=COC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141001	0	46	-1.0	-55.04	395.85	5.29	-49.75
O=C(CSCC1=COC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141001	1	46	-1.0	-55.02	395.79	5.26	-49.76
CCCCS(=O)(=O)N1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141002	0	50	-1.0	-64.43	389.29	4.12	-60.31
CCCCS(=O)(=O)N1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141002	1	50	-1.0	-64.50	389.35	4.14	-60.36
CCCCS(=O)(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020141003	0	53	-1.0	-50.43	415.01	3.75	-46.68
CCCCS(=O)(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141003	1	53	-1.0	-50.44	415.07	3.78	-46.66
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141004	0	47	-1.0	-54.41	379.14	7.02	-47.39
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141004	1	47	-1.0	-54.36	379.20	7.05	-47.31
CC(C)(C)N1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C1CC1	REAL300020141005	0	49	-1.0	-48.07	375.28	6.50	-41.57
CC(C)(C)N1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C1CC1	REAL300020141005	1	49	-1.0	-48.03	375.33	6.53	-41.50
O=C(C1=C(Cl)C2=CC=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141006	0	37	-1.0	-46.30	318.46	5.34	-40.96
O=C(C1=C(Cl)C2=CC=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141006	1	37	-1.0	-46.34	318.51	5.37	-40.97
O=C(C1=C(Cl)C2=CC(F)=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141007	0	37	-1.0	-46.42	324.03	5.38	-41.04
O=C(C1=C(Cl)C2=CC(F)=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141007	1	37	-1.0	-46.37	324.09	5.41	-40.96
O=C(CN1CCCS1(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141008	0	38	-1.0	-56.59	317.10	0.18	-56.41
O=C(CN1CCCS1(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141008	1	38	-1.0	-56.55	317.16	0.20	-56.35
CC(SCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141009	0	43	-1.0	-49.26	354.69	7.26	-42.00
CC(SCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141009	1	43	-1.0	-49.25	354.75	7.28	-41.97
CCCOC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141010	0	43	-1.0	-45.24	342.76	5.45	-39.79
CCCOC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141010	1	43	-1.0	-45.25	342.82	5.47	-39.78
O=C(CC1=CSC2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141011	0	39	-1.0	-49.17	331.06	6.81	-42.36
O=C(CC1=CSC2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141011	1	39	-1.0	-49.16	331.12	6.83	-42.33
O=C(C1=CSC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141012	0	32	-1.0	-41.29	289.40	4.19	-37.10
O=C(C1=CSC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141012	1	32	-1.0	-41.30	289.46	4.21	-37.09
O=C(C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141013	0	47	-1.0	-43.75	389.24	5.89	-37.86
O=C(C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141013	1	47	-1.0	-43.77	389.30	5.91	-37.86
O=C(C1CCCC(C(F)(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141014	0	42	-1.0	-35.89	332.70	5.78	-30.11
O=C(C1CCCC(C(F)(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141014	1	42	-1.0	-35.86	332.76	5.80	-30.06
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC=C1	REAL300020141015	0	36	-1.0	-41.58	301.92	5.41	-36.17
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC=C1	REAL300020141015	1	36	-1.0	-41.58	301.98	5.43	-36.15
O=C(C1CC(C2=CC=CC=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141016	0	41	-1.0	-53.81	334.86	5.97	-47.84
O=C(C1CC(C2=CC=CC=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141016	1	41	-1.0	-53.79	334.92	5.99	-47.80
O=C(C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141017	0	47	-1.0	-42.41	386.36	8.04	-34.37
O=C(C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141017	1	47	-1.0	-42.45	386.42	8.06	-34.39
O=C(C1=CC2=C(C=CC=C2)C2=C1N=CC=C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141018	0	44	-1.0	-47.30	355.13	7.16	-40.14
O=C(C1=CC2=C(C=CC=C2)C2=C1N=CC=C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141018	1	44	-1.0	-47.29	355.07	7.14	-40.15
O=C(C1=CN(C2=CC=C(Cl)C=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141019	0	40	-1.0	-45.32	345.20	6.10	-39.22
O=C(C1=CN(C2=CC=C(Cl)C=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141019	1	40	-1.0	-45.30	345.14	6.07	-39.23
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141020	0	52	-1.0	-49.22	397.72	8.33	-40.89
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141020	1	52	-1.0	-49.29	397.78	8.36	-40.93
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141021	0	52	-1.0	-49.26	393.30	8.02	-41.24
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141021	1	52	-1.0	-49.34	393.36	8.04	-41.30
CC1=CC=C(OC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020141022	0	43	-1.0	-52.26	358.43	6.98	-45.28
CC1=CC=C(OC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020141022	1	43	-1.0	-52.28	358.49	7.01	-45.27
CC1=CC(OC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C(C)C	REAL300020141023	0	52	-1.0	-49.90	394.76	8.17	-41.73
CC1=CC(OC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C(C)C	REAL300020141023	1	52	-1.0	-49.93	394.81	8.20	-41.73
CC(C)OC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141024	0	47	-1.0	-39.69	373.58	6.84	-32.85
CC(C)OC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141024	1	47	-1.0	-39.72	373.64	6.87	-32.85
CCCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141025	0	47	-1.0	-39.34	376.27	6.97	-32.37
CCCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141025	1	47	-1.0	-39.35	376.33	6.99	-32.36
O=C(CC(F)(F)F)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141026	0	36	-1.0	-46.34	311.07	1.33	-45.01
O=C(CC(F)(F)F)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141026	1	36	-1.0	-46.29	311.13	1.36	-44.93
CC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1Cl	REAL300020141027	0	39	-1.0	-51.74	333.61	4.34	-47.40
CC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1Cl	REAL300020141027	1	39	-1.0	-51.72	333.67	4.36	-47.36
COCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300020141028	0	43	-1.0	-45.31	352.50	4.05	-41.26
COCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300020141028	1	43	-1.0	-45.34	352.56	4.08	-41.26
CC(C)C1=NN(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141029	0	42	-1.0	-49.00	336.37	4.11	-44.89
CC(C)C1=NN(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141029	1	42	-1.0	-49.00	336.43	4.13	-44.87
CC(C)C1=NC=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141030	0	40	-1.0	-42.59	321.13	4.41	-38.18
CC(C)C1=NC=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141030	1	40	-1.0	-42.60	321.19	4.43	-38.17
CC1=NN(C(C)(C)C)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141031	0	48	-1.0	-46.39	370.45	5.21	-41.18
CC1=NN(C(C)(C)C)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141031	1	48	-1.0	-46.39	370.51	5.24	-41.15
O=C(CCC1=CC=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141032	0	36	-1.0	-44.68	323.34	5.95	-38.73
O=C(CCC1=CC=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141032	1	36	-1.0	-44.66	323.40	5.98	-38.68
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1S(C)(=O)=O	REAL300020141033	0	42	-1.0	-58.42	342.61	2.59	-55.83
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1S(C)(=O)=O	REAL300020141033	1	42	-1.0	-58.37	342.67	2.62	-55.75
O=C(CC1=CC=CC(F)=C1)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141034	0	43	-1.0	-46.42	360.08	3.97	-42.45
O=C(CC1=CC=CC(F)=C1)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141034	1	43	-1.0	-46.41	360.13	4.00	-42.41
CC(C)C1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141035	0	48	-1.0	-45.29	376.32	8.19	-37.10
CC(C)C1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141035	1	48	-1.0	-45.31	376.38	8.21	-37.10
O=C(COC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141036	0	40	-1.0	-49.92	342.34	6.36	-43.56
O=C(COC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141036	1	40	-1.0	-49.91	342.40	6.39	-43.52
CCOC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC=C2)=C1	REAL300020141037	0	47	-1.0	-44.20	389.49	7.55	-36.65
CCOC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2)=C1	REAL300020141037	1	47	-1.0	-44.21	389.55	7.58	-36.63
CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020141038	0	39	-1.0	-37.67	319.42	2.13	-35.54
CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020141038	1	39	-1.0	-37.61	319.36	2.10	-35.51
O=C(CCN1CCCS1(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141039	0	41	-1.0	-56.26	338.36	0.79	-55.47
O=C(CCN1CCCS1(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141039	1	41	-1.0	-56.25	338.41	0.81	-55.44
O=C(CC1=CSC(C2=NC=CC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141040	0	40	-1.0	-60.85	350.07	3.76	-57.09
O=C(CC1=CSC(C2=NC=CC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141040	1	40	-1.0	-60.81	350.12	3.78	-57.03
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=NC=CC=N2)=N1	REAL300020141041	0	40	-1.0	-49.06	345.95	3.33	-45.73
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=NC=CC=N2)=N1	REAL300020141041	1	40	-1.0	-49.07	346.00	3.36	-45.71
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC1CCCC1	REAL300020141042	0	51	-1.0	-47.16	394.34	6.56	-40.60
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC1CCCC1	REAL300020141042	1	51	-1.0	-47.16	394.40	6.58	-40.58
CC(SC1=NN=CN1C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141043	0	39	-1.0	-48.12	326.36	5.75	-42.37
CC(SC1=NN=CN1C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141043	1	39	-1.0	-48.13	326.30	5.73	-42.40
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141044	0	40	-1.0	-47.08	349.30	6.68	-40.40
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141044	1	40	-1.0	-47.11	349.36	6.71	-40.40
COC1=CC=C(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141045	0	44	-1.0	-52.59	358.65	5.15	-47.44
COC1=CC=C(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141045	1	44	-1.0	-52.61	358.70	5.17	-47.44
CN1C=C(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=N1	REAL300020141046	0	39	-1.0	-49.90	339.19	3.85	-46.05
CN1C=C(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=N1	REAL300020141046	1	39	-1.0	-49.89	339.13	3.83	-46.06
O=C(CN1C=C(Br)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141047	0	33	-1.0	-53.56	296.65	3.47	-50.09
O=C(CN1C=C(Br)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141047	1	33	-1.0	-53.62	296.59	3.44	-50.18
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC=C2)=C1	REAL300020141048	0	44	-1.0	-43.98	368.04	6.46	-37.52
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2)=C1	REAL300020141048	1	44	-1.0	-43.98	368.10	6.49	-37.49
CC(NC(=O)C1=COC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141049	0	40	-1.0	-46.24	330.45	1.81	-44.43
CC(NC(=O)C1=COC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141049	1	40	-1.0	-46.25	330.51	1.84	-44.41
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(C)=C1C(C)=O	REAL300020141050	0	48	-1.0	-49.04	382.28	6.06	-42.98
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(C)=C1C(C)=O	REAL300020141050	1	48	-1.0	-49.03	382.33	6.09	-42.94
CC1=CC(C)=C(C(=O)CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020141051	0	53	-1.0	-55.38	420.67	8.78	-46.60
CC1=CC(C)=C(C(=O)CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020141051	1	53	-1.0	-55.40	420.73	8.80	-46.60
CC1=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2)=CC(C)=C1	REAL300020141052	0	49	-1.0	-46.81	369.61	7.83	-38.98
CC1=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2)=CC(C)=C1	REAL300020141052	1	49	-1.0	-46.79	369.67	7.85	-38.94
CCN1C(=O)NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2C1=O	REAL300020141053	0	45	-1.0	-39.62	366.50	3.96	-35.66
CCN1C(=O)NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2C1=O	REAL300020141053	1	45	-1.0	-39.64	366.56	3.99	-35.65
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020141054	0	36	-1.0	-53.03	313.92	3.25	-49.78
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=N1	REAL300020141054	1	36	-1.0	-53.00	313.86	3.22	-49.78
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020141055	0	42	-1.0	-55.13	354.62	3.48	-51.65
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020141055	1	42	-1.0	-55.15	354.68	3.50	-51.65
O=C(C1=C2NC(=O)C3=CC=CC=C3N2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141056	0	42	-1.0	-43.03	349.00	4.23	-38.80
O=C(C1=C2NC(=O)C3=CC=CC=C3N2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141056	1	42	-1.0	-43.05	349.06	4.26	-38.79
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141057	0	47	-1.0	-49.17	372.48	6.06	-43.11
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141057	1	47	-1.0	-49.15	372.53	6.09	-43.06
CC(SC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141058	0	40	-1.0	-45.64	354.84	7.11	-38.53
CC(SC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141058	1	40	-1.0	-45.64	354.89	7.13	-38.51
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020141059	0	42	-1.0	-49.03	350.56	6.50	-42.53
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020141059	1	42	-1.0	-49.09	350.62	6.53	-42.56
CCOC1=CC=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020141060	0	44	-1.0	-45.04	352.11	5.11	-39.93
CCOC1=CC=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020141060	1	44	-1.0	-45.04	352.17	5.13	-39.91
CC1=CC(OC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020141061	0	43	-1.0	-48.94	352.57	6.78	-42.16
CC1=CC(OC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020141061	1	43	-1.0	-48.98	352.63	6.81	-42.17
CC1=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=CC(C)=C1	REAL300020141062	0	46	-1.0	-48.16	361.24	7.60	-40.56
CC1=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=CC(C)=C1	REAL300020141062	1	46	-1.0	-48.14	361.30	7.63	-40.51
CCC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141063	0	43	-1.0	-49.11	344.28	4.09	-45.02
CCC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141063	1	43	-1.0	-49.09	344.34	4.11	-44.98
CC(=O)NC1=C(C)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141064	0	43	-1.0	-53.27	339.89	5.60	-47.67
CC(=O)NC1=C(C)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141064	1	43	-1.0	-53.27	339.95	5.62	-47.65
O=C(CCCOCCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141065	0	49	-1.0	-49.57	393.12	7.10	-42.47
O=C(CCCOCCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141065	1	49	-1.0	-49.54	393.18	7.12	-42.42
CCC(=O)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020141066	0	46	-1.0	-47.23	350.28	4.41	-42.82
CCC(=O)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020141066	1	46	-1.0	-47.25	350.34	4.44	-42.81
CCCS(=O)(=O)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141067	0	50	-1.0	-50.94	381.64	3.83	-47.11
CCCS(=O)(=O)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141067	1	50	-1.0	-50.94	381.69	3.86	-47.08
CCC(=O)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141068	0	46	-1.0	-59.07	345.61	5.68	-53.39
CCC(=O)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141068	1	46	-1.0	-59.04	345.67	5.70	-53.34
O=C(C1=CC=CC2=C1OCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141069	0	36	-1.0	-41.53	297.22	3.13	-38.40
O=C(C1=CC=CC2=C1OCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141069	1	36	-1.0	-41.55	297.28	3.16	-38.39
O=C(C1CC(C2=CC=C(Cl)C=C2Cl)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141070	0	41	-1.0	-55.33	363.56	7.11	-48.22
O=C(C1CC(C2=CC=C(Cl)C=C2Cl)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141070	1	41	-1.0	-55.31	363.62	7.14	-48.17
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141071	0	52	-1.0	-50.10	397.45	8.35	-41.75
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141071	1	52	-1.0	-50.07	397.51	8.37	-41.70
CC1=CC=C(Cl)C(OC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141072	0	43	-1.0	-52.31	354.87	6.91	-45.40
CC1=CC=C(Cl)C(OC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141072	1	43	-1.0	-52.28	354.93	6.94	-45.34
CC(C)C1=CC(OC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1	REAL300020141073	0	49	-1.0	-49.40	377.32	7.60	-41.80
CC(C)C1=CC(OC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1	REAL300020141073	1	49	-1.0	-49.38	377.38	7.62	-41.76
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC2=CC=CC=C12	REAL300020141074	0	41	-1.0	-45.33	329.04	6.14	-39.19
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C12	REAL300020141074	1	41	-1.0	-45.31	329.10	6.16	-39.15
CC1=CC(C)=CC(C(=O)N2CCCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2)=C1	REAL300020141075	0	56	-1.0	-49.19	428.03	7.67	-41.52
CC1=CC(C)=CC(C(=O)N2CCCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2)=C1	REAL300020141075	1	56	-1.0	-49.20	428.08	7.69	-41.51
N#CC1=CC=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141076	0	38	-1.0	-54.73	324.46	5.76	-48.97
N#CC1=CC=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141076	1	38	-1.0	-54.77	324.52	5.78	-48.99
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141077	0	44	-1.0	-52.99	374.35	1.53	-51.46
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141077	1	44	-1.0	-53.02	374.41	1.55	-51.47
COC1=CC=C2OC(C)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020141078	0	43	-1.0	-49.25	353.34	5.08	-44.17
COC1=CC=C2OC(C)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020141078	1	43	-1.0	-49.28	353.40	5.11	-44.17
O=C(C1=NOC(C2=CC=NC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141079	0	38	-1.0	-43.30	320.79	4.27	-39.03
O=C(C1=NOC(C2=CC=NC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141079	1	38	-1.0	-43.27	320.85	4.30	-38.97
CC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020141080	0	46	-1.0	-59.05	338.13	4.06	-54.99
CC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020141080	1	46	-1.0	-59.06	338.19	4.08	-54.98
O=C(C1=CC=C(C2=CN=CO2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141081	0	39	-1.0	-49.30	323.12	2.79	-46.51
O=C(C1=CC=C(C2=CN=CO2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141081	1	39	-1.0	-49.31	323.07	2.77	-46.54
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020141082	0	45	-1.0	-52.21	383.42	6.63	-45.58
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020141082	1	45	-1.0	-52.15	383.48	6.66	-45.49
CC1=NN2C=CC=NC2=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141083	0	38	-1.0	-54.37	318.76	4.16	-50.21
CC1=NN2C=CC=NC2=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141083	1	38	-1.0	-54.39	318.82	4.19	-50.20
CC(C)SC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141084	0	43	-1.0	-44.99	346.68	6.78	-38.21
CC(C)SC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141084	1	43	-1.0	-45.00	346.74	6.81	-38.19
O=C(C1=CC=C(SCC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141085	0	47	-1.0	-46.25	391.96	9.33	-36.92
O=C(C1=CC=C(SCC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141085	1	47	-1.0	-46.26	392.01	9.36	-36.90
O=C(CSCC1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141086	0	39	-1.0	-51.96	334.08	5.01	-46.95
O=C(CSCC1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141086	1	39	-1.0	-51.94	334.14	5.03	-46.91
O=C(CSCC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141087	0	39	-1.0	-51.16	334.01	5.11	-46.05
O=C(CSCC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141087	1	39	-1.0	-51.13	334.06	5.13	-46.00
CC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1Br	REAL300020141088	0	39	-1.0	-51.70	337.56	4.42	-47.28
CC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1Br	REAL300020141088	1	39	-1.0	-51.73	337.62	4.45	-47.28
O=C(C1=CC=NC(N2C=CN=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141089	0	39	-1.0	-48.35	323.05	6.12	-42.23
O=C(C1=CC=NC(N2C=CN=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141089	1	39	-1.0	-48.35	323.10	6.14	-42.21
O=C(CCSCC1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141090	0	42	-1.0	-47.92	355.75	5.77	-42.15
O=C(CCSCC1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141090	1	42	-1.0	-47.92	355.81	5.79	-42.13
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(F)C=C1[N+](=O)[O-]	REAL300020141091	0	37	-1.0	-42.34	313.30	3.37	-38.97
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(F)C=C1[N+](=O)[O-]	REAL300020141091	1	37	-1.0	-42.35	313.36	3.40	-38.95
O=C(C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141092	0	44	-1.0	-48.06	364.88	6.14	-41.92
O=C(C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141092	1	44	-1.0	-48.07	364.94	6.17	-41.90
COC1=CC=C(Cl)C=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141093	0	41	-1.0	-40.72	348.58	5.82	-34.90
COC1=CC=C(Cl)C=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141093	1	41	-1.0	-40.65	348.63	5.85	-34.80
O=C(C1=CC2=CC=CC([N+](=O)[O-])=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141094	0	39	-1.0	-47.12	326.62	5.62	-41.50
O=C(C1=CC2=CC=CC([N+](=O)[O-])=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141094	1	39	-1.0	-47.11	326.68	5.65	-41.46
O=C(C1=NOC2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141095	0	39	-1.0	-43.18	307.56	4.96	-38.22
O=C(C1=NOC2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141095	1	39	-1.0	-43.20	307.62	4.99	-38.21
COC1=CC=C(C(=O)CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141096	0	48	-1.0	-59.41	387.12	6.18	-53.23
COC1=CC=C(C(=O)CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141096	1	48	-1.0	-59.42	387.17	6.21	-53.21
CC(SC1=CC=CC=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141097	0	40	-1.0	-37.24	342.19	6.77	-30.47
CC(SC1=CC=CC=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141097	1	40	-1.0	-37.25	342.25	6.79	-30.46
CC1=NN2C(=C1C(=O)N1CCCC(C3=N[N-]N=N3)C1)N=C(C)C=C2C	REAL300020141098	0	44	-1.0	-54.29	361.64	5.33	-48.96
CC1=NN2C(=C1C(=O)N1CCCC(C3=NN=N[N-]3)C1)N=C(C)C=C2C	REAL300020141098	1	44	-1.0	-54.28	361.69	5.35	-48.93
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2)CCCCC1	REAL300020141099	0	49	-1.0	-49.49	371.09	7.99	-41.50
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2)CCCCC1	REAL300020141099	1	49	-1.0	-49.51	371.15	8.01	-41.50
CC(=O)NC1=CC=C(SC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141100	0	47	-1.0	-53.68	390.01	5.39	-48.29
CC(=O)NC1=CC=C(SC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141100	1	47	-1.0	-53.67	390.07	5.42	-48.25
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141101	0	40	-1.0	-46.91	358.58	7.25	-39.66
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141101	1	40	-1.0	-46.94	358.64	7.28	-39.66
COC1=CC=C(SC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141102	0	44	-1.0	-47.35	363.04	5.78	-41.57
COC1=CC=C(SC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141102	1	44	-1.0	-47.34	363.10	5.80	-41.54
O=C(CCCOC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141103	0	43	-1.0	-49.81	362.80	6.37	-43.44
O=C(CCCOC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141103	1	43	-1.0	-49.83	362.86	6.39	-43.44
O=C(CCOC1=CC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141104	0	40	-1.0	-45.45	344.96	5.74	-39.71
O=C(CCOC1=CC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141104	1	40	-1.0	-45.42	345.02	5.76	-39.66
O=C(CCOC1=CC=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141105	0	40	-1.0	-43.92	357.33	6.15	-37.77
O=C(CCOC1=CC=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141105	1	40	-1.0	-43.91	357.39	6.18	-37.73
CC1=CC=CC(NC(=O)N2CCCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2)=C1	REAL300020141106	0	55	-1.0	-51.67	419.31	6.85	-44.82
CC1=CC=CC(NC(=O)N2CCCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2)=C1	REAL300020141106	1	55	-1.0	-51.72	419.37	6.88	-44.84
O=C(CC1CCCC(C(F)(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141107	0	45	-1.0	-45.77	344.90	6.40	-39.37
O=C(CC1CCCC(C(F)(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141107	1	45	-1.0	-45.75	344.96	6.42	-39.33
CC(C)CC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020141108	0	51	-1.0	-42.49	373.71	3.92	-38.57
CC(C)CC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020141108	1	51	-1.0	-42.50	373.76	3.94	-38.56
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141109	0	48	-1.0	-55.39	388.11	7.25	-48.14
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141109	1	48	-1.0	-55.38	388.05	7.22	-48.16
O=C(CCC1=CC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141110	0	39	-1.0	-45.82	332.21	6.68	-39.14
O=C(CCC1=CC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141110	1	39	-1.0	-45.77	332.27	6.71	-39.06
O=C(C1=CC=C(Br)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141111	0	33	-1.0	-36.13	306.50	5.53	-30.60
O=C(C1=CC=C(Br)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141111	1	33	-1.0	-36.13	306.56	5.56	-30.57
CC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141112	0	36	-1.0	-43.18	310.22	5.66	-37.52
CC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141112	1	36	-1.0	-43.19	310.27	5.68	-37.51
CN1N=C(C(C)(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141113	0	45	-1.0	-43.84	349.62	4.65	-39.19
CN1N=C(C(C)(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141113	1	45	-1.0	-43.82	349.56	4.63	-39.19
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141114	0	42	-1.0	-49.68	369.52	8.01	-41.67
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141114	1	42	-1.0	-49.70	369.58	8.03	-41.67
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=C(Br)C=N1	REAL300020141115	0	36	-1.0	-43.38	314.34	3.76	-39.62
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=C(Br)C=N1	REAL300020141115	1	36	-1.0	-43.37	314.28	3.73	-39.64
CC(C)NC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141116	0	48	-1.0	-53.24	382.79	3.61	-49.63
CC(C)NC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141116	1	48	-1.0	-53.26	382.85	3.64	-49.62
CC1=NC2=CC(F)=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2N=C1C	REAL300020141117	0	43	-1.0	-44.09	351.08	4.27	-39.82
CC1=NC2=CC(F)=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2N=C1C	REAL300020141117	1	43	-1.0	-44.12	351.13	4.30	-39.82
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141118	0	45	-1.0	-55.83	370.98	5.81	-50.02
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141118	1	45	-1.0	-55.79	371.04	5.84	-49.95
CC(=O)NC1=CC(F)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141119	0	40	-1.0	-45.23	330.45	3.63	-41.60
CC(=O)NC1=CC(F)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141119	1	40	-1.0	-45.30	330.51	3.66	-41.64
COC1=CC=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141120	0	41	-1.0	-53.61	333.11	4.66	-48.95
COC1=CC=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141120	1	41	-1.0	-53.64	333.17	4.69	-48.95
O=C(C1=CC2=CC=C(OC(F)(F)F)C=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141121	0	41	-1.0	-43.25	346.74	4.69	-38.56
O=C(C1=CC2=CC=C(OC(F)(F)F)C=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141121	1	41	-1.0	-43.26	346.80	4.71	-38.55
O=C(C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1)N1CCCC1	REAL300020141122	0	45	-1.0	-50.67	354.42	3.89	-46.78
O=C(C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1)N1CCCC1	REAL300020141122	1	45	-1.0	-50.70	354.48	3.91	-46.79
O=C(CCCNC(=O)OCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141123	0	50	-1.0	-50.18	409.59	4.96	-45.22
O=C(CCCNC(=O)OCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141123	1	50	-1.0	-50.18	409.65	4.99	-45.19
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1)C1=CC=CO1	REAL300020141124	0	44	-1.0	-49.39	365.69	4.44	-44.95
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1)C1=CC=CO1	REAL300020141124	1	44	-1.0	-49.38	365.75	4.46	-44.92
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141125	0	55	0.0	-73.92	409.18	7.16	-66.76
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141125	1	55	0.0	-73.93	409.24	7.18	-66.75
COC(=O)C(C)SC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141126	0	46	-1.0	-53.16	379.42	6.87	-46.29
COC(=O)C(C)SC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141126	1	46	-1.0	-53.19	379.48	6.89	-46.30
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1F	REAL300020141127	0	41	-1.0	-45.70	347.27	6.23	-39.47
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1F	REAL300020141127	1	41	-1.0	-45.71	347.33	6.25	-39.46
CC1=NN2C(=C1)N=C(C)C=C2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141128	0	41	-1.0	-51.14	340.12	4.54	-46.60
CC1=NN2C(=C1)N=C(C)C=C2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141128	1	41	-1.0	-51.15	340.18	4.57	-46.58
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=C(Cl)C=N1	REAL300020141129	0	36	-1.0	-43.52	309.72	3.65	-39.87
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=C(Cl)C=N1	REAL300020141129	1	36	-1.0	-43.53	309.66	3.63	-39.90
CC(C)SC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141130	0	43	-1.0	-40.71	346.29	6.79	-33.92
CC(C)SC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141130	1	43	-1.0	-40.70	346.35	6.82	-33.88
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141131	0	56	0.0	-80.58	422.08	5.51	-75.07
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141131	1	56	0.0	-80.54	422.13	5.53	-75.01
O=C(C1=C2NC=NC2=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141132	0	36	-1.0	-44.32	300.47	4.16	-40.16
O=C(C1=C2NC=NC2=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141132	1	36	-1.0	-44.35	300.53	4.18	-40.17
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020141133	0	57	-1.0	-44.69	413.43	4.31	-40.38
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020141133	1	57	-1.0	-44.67	413.49	4.34	-40.33
CCC1=NOC(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020141134	0	43	-1.0	-53.94	350.63	3.23	-50.71
CCC1=NOC(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020141134	1	43	-1.0	-53.97	350.68	3.25	-50.72
CCCC1=NOC(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020141135	0	46	-1.0	-53.79	372.12	4.00	-49.79
CCCC1=NOC(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020141135	1	46	-1.0	-53.77	372.18	4.02	-49.75
CCCCC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141136	0	53	-1.0	-44.65	422.20	9.09	-35.56
CCCCC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141136	1	53	-1.0	-44.68	422.26	9.11	-35.57
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300020141137	0	47	-1.0	-39.96	390.53	8.89	-31.07
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300020141137	1	47	-1.0	-39.92	390.59	8.91	-31.01
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(C)=C1C(=O)OC	REAL300020141138	0	49	-1.0	-49.36	395.22	6.12	-43.24
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(C)=C1C(=O)OC	REAL300020141138	1	49	-1.0	-49.33	395.28	6.15	-43.18
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(C)=C1C(C)=O	REAL300020141139	0	45	-1.0	-49.02	360.78	5.28	-43.74
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(C)=C1C(C)=O	REAL300020141139	1	45	-1.0	-49.00	360.84	5.31	-43.69
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=C(Br)O1	REAL300020141140	0	40	-1.0	-52.65	351.15	4.38	-48.27
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=C(Br)O1	REAL300020141140	1	40	-1.0	-52.70	351.21	4.41	-48.29
CN(C)C1=NC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)S1	REAL300020141141	0	40	-1.0	-46.41	349.82	4.84	-41.57
CN(C)C1=NC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)S1	REAL300020141141	1	40	-1.0	-46.41	349.76	4.81	-41.60
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC(C)=CC=C1	REAL300020141142	0	45	-1.0	-48.24	360.41	5.81	-42.43
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC(C)=CC=C1	REAL300020141142	1	45	-1.0	-48.28	360.47	5.84	-42.44
O=C(CCN1C=C(Br)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141143	0	36	-1.0	-44.09	318.81	4.05	-40.04
O=C(CCN1C=C(Br)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141143	1	36	-1.0	-44.10	318.76	4.03	-40.07
NC(=O)C1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020141144	0	44	-1.0	-59.79	363.33	3.58	-56.21
NC(=O)C1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020141144	1	44	-1.0	-59.83	363.38	3.61	-56.22
CCN(CC)C1=NC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)S1	REAL300020141145	0	46	-1.0	-46.09	392.54	6.73	-39.36
CCN(CC)C1=NC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)S1	REAL300020141145	1	46	-1.0	-46.04	392.49	6.70	-39.34
O=C(C1=CC=C([N+](=O)[O-])C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141146	0	35	-1.0	-47.76	302.40	5.12	-42.64
O=C(C1=CC=C([N+](=O)[O-])C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141146	1	35	-1.0	-47.77	302.46	5.15	-42.62
CC(C)(C)NS(=O)(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141147	0	43	-1.0	-57.38	338.62	0.24	-57.14
CC(C)(C)NS(=O)(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141147	1	43	-1.0	-57.39	338.68	0.27	-57.12
CC(C)(C)C1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCCC2)C=C1	REAL300020141148	0	61	-1.0	-46.69	430.65	9.83	-36.86
CC(C)(C)C1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCCC2)C=C1	REAL300020141148	1	61	-1.0	-46.63	430.71	9.85	-36.78
CC1=CC=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCCC2)=C1	REAL300020141149	0	52	-1.0	-47.24	375.06	8.14	-39.10
CC1=CC=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCCC2)=C1	REAL300020141149	1	52	-1.0	-47.18	375.12	8.16	-39.02
O=C(CCCS(=O)(=O)N1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141150	0	47	-1.0	-58.71	380.40	2.44	-56.27
O=C(CCCS(=O)(=O)N1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141150	1	47	-1.0	-58.69	380.46	2.47	-56.22
CC(C(=O)N(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CC=N1	REAL300020141151	0	46	-1.0	-53.83	368.72	3.89	-49.94
CC(C(=O)N(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CC=N1	REAL300020141151	1	46	-1.0	-53.87	368.67	3.87	-50.00
O=C(CCN1C=C(Cl)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141152	0	36	-1.0	-44.16	314.18	3.95	-40.21
O=C(CCN1C=C(Cl)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141152	1	36	-1.0	-44.23	314.13	3.92	-40.31
CC1=CC=C(C)N1C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020141153	0	44	-1.0	-39.30	368.18	7.63	-31.67
CC1=CC=C(C)N1C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020141153	1	44	-1.0	-39.25	368.24	7.65	-31.60
O=C(C1=NOC(C2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141154	0	41	-1.0	-40.80	335.21	5.29	-35.51
O=C(C1=NOC(C2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141154	1	41	-1.0	-40.80	335.27	5.32	-35.48
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141155	0	46	-2.0	-97.05	383.01	3.02	-94.03
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141155	1	46	-2.0	-97.06	383.07	3.05	-94.01
CCC(=O)NC(CCSC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141156	0	46	-1.0	-58.45	369.32	4.74	-53.71
CCC(=O)NC(CCSC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141156	1	46	-1.0	-58.44	369.37	4.77	-53.67
N#CC1=C(N)N(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020141157	0	43	-1.0	-48.29	362.48	5.04	-43.25
N#CC1=C(N)N(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)N=C1	REAL300020141157	1	43	-1.0	-48.25	362.42	5.01	-43.24
O=C(CC1=CC=C(F)C(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141158	0	36	-1.0	-48.37	321.68	6.09	-42.28
O=C(CC1=CC=C(F)C(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141158	1	36	-1.0	-48.38	321.74	6.12	-42.26
CC(C)OC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020141159	0	42	-1.0	-42.31	355.68	3.61	-38.70
CC(C)OC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020141159	1	42	-1.0	-42.28	355.62	3.58	-38.70
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020141160	0	42	-1.0	-45.38	327.13	6.57	-38.81
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020141160	1	42	-1.0	-45.35	327.19	6.60	-38.75
O=C(CCC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141161	0	45	-1.0	-46.79	362.18	8.50	-38.29
O=C(CCC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141161	1	45	-1.0	-46.80	362.24	8.53	-38.27
O=C(C1=CC(F)=CC2=C1NC(=S)N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141162	0	37	-1.0	-51.08	326.50	4.21	-46.87
O=C(C1=CC(F)=CC2=C1NC(=S)N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141162	1	37	-1.0	-51.08	326.56	4.23	-46.85
CC(=O)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141163	0	43	-1.0	-58.76	322.98	4.95	-53.81
CC(=O)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141163	1	43	-1.0	-58.76	323.03	4.97	-53.79
O=C(CNC(=O)NC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141164	0	48	-1.0	-45.08	371.97	2.32	-42.76
O=C(CNC(=O)NC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141164	1	48	-1.0	-45.09	372.02	2.34	-42.75
O=C(C1=CN=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141165	0	38	-1.0	-48.79	306.92	4.82	-43.97
O=C(C1=CN=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141165	1	38	-1.0	-48.79	306.87	4.79	-44.00
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCC2=C(C=CS2)C1	REAL300020141166	0	47	-1.0	-45.47	382.66	6.08	-39.39
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1	REAL300020141166	1	47	-1.0	-45.47	382.71	6.10	-39.37
CC(C)S(=O)(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141167	0	38	-1.0	-63.04	314.71	0.98	-62.06
CC(C)S(=O)(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141167	1	38	-1.0	-63.08	314.77	1.01	-62.07
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141168	0	40	-1.0	-40.43	345.98	6.15	-34.28
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141168	1	40	-1.0	-40.47	345.92	6.12	-34.35
CCCC(C)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020141169	0	49	-1.0	-47.37	373.01	5.59	-41.78
CCCC(C)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020141169	1	49	-1.0	-47.39	373.07	5.62	-41.77
O=C(C1=CC(Cl)=CC2=CC=CN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141170	0	38	-1.0	-51.98	329.09	5.54	-46.44
O=C(C1=CC(Cl)=CC2=CC=CN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141170	1	38	-1.0	-52.01	329.04	5.51	-46.50
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C(C)C=C1	REAL300020141171	0	45	-1.0	-47.48	362.13	5.85	-41.63
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C(C)C=C1	REAL300020141171	1	45	-1.0	-47.52	362.19	5.87	-41.65
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC(Cl)=C1	REAL300020141172	0	42	-1.0	-48.55	355.74	5.65	-42.90
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC(Cl)=C1	REAL300020141172	1	42	-1.0	-48.55	355.79	5.68	-42.87
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC=C1	REAL300020141173	0	42	-1.0	-48.19	338.92	5.13	-43.06
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC=C1	REAL300020141173	1	42	-1.0	-48.19	338.98	5.16	-43.03
CC(C)C(=O)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141174	0	49	-1.0	-58.72	362.57	6.09	-52.63
CC(C)C(=O)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141174	1	49	-1.0	-58.76	362.63	6.12	-52.64
O=C(C1=CC=CN=C1SC1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141175	0	46	-1.0	-49.89	368.85	6.94	-42.95
O=C(C1=CC=CN=C1SC1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141175	1	46	-1.0	-49.89	368.79	6.92	-42.97
CCCC(=O)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020141176	0	49	-1.0	-53.41	372.27	5.21	-48.20
CCCC(=O)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020141176	1	49	-1.0	-53.40	372.32	5.23	-48.17
O=C(C1=CNC=C1C1=CC=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141177	0	38	-1.0	-53.80	342.58	5.76	-48.04
O=C(C1=CNC=C1C1=CC=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141177	1	38	-1.0	-53.79	342.64	5.79	-48.00
CCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2S1(=O)=O	REAL300020141178	0	44	-1.0	-50.18	375.06	1.79	-48.39
CCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2S1(=O)=O	REAL300020141178	1	44	-1.0	-50.19	375.12	1.82	-48.37
O=C(C1=CC(F)=CC2=NC=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141179	0	37	-1.0	-49.67	310.10	3.20	-46.47
O=C(C1=CC(F)=CC2=NC=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141179	1	37	-1.0	-49.63	310.05	3.18	-46.45
CCOC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141180	0	40	-1.0	-45.60	321.26	4.65	-40.95
CCOC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141180	1	40	-1.0	-45.60	321.32	4.67	-40.93
CC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020141181	0	33	-1.0	-41.43	296.79	2.21	-39.22
CC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020141181	1	33	-1.0	-41.42	296.85	2.23	-39.19
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1)NC1CC1	REAL300020141182	0	46	-1.0	-48.83	370.49	3.63	-45.20
O=C(NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1)NC1CC1	REAL300020141182	1	46	-1.0	-48.87	370.55	3.65	-45.22
CCS(=O)(=O)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020141183	0	47	-1.0	-53.93	372.28	2.18	-51.75
CCS(=O)(=O)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020141183	1	47	-1.0	-53.93	372.34	2.21	-51.72
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=NC2=CC=CC=C2S1	REAL300020141184	0	43	-1.0	-53.08	362.20	6.49	-46.59
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=NC2=CC=CC=C2S1	REAL300020141184	1	43	-1.0	-53.09	362.14	6.46	-46.63
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1N1CCNC1=O	REAL300020141185	0	46	-1.0	-52.02	369.24	4.34	-47.68
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1N1CCNC1=O	REAL300020141185	1	46	-1.0	-52.02	369.30	4.37	-47.65
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2)CCOCC1	REAL300020141186	0	47	-1.0	-43.23	363.22	5.68	-37.55
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2)CCOCC1	REAL300020141186	1	47	-1.0	-43.24	363.28	5.71	-37.53
O=C(CC1=CC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141187	0	39	-1.0	-52.67	322.55	5.97	-46.70
O=C(CC1=CC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141187	1	39	-1.0	-52.69	322.61	5.99	-46.70
O=C(CSC1=NN=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141188	0	32	-1.0	-45.95	296.42	2.27	-43.68
O=C(CSC1=NN=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141188	1	32	-1.0	-45.95	296.36	2.24	-43.71
O=C(C=CC1=CC2=CC=CN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141189	0	42	-1.0	-49.52	344.62	6.30	-43.22
O=C(C=CC1=CC2=CC=CN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141189	1	42	-1.0	-49.51	344.67	6.32	-43.19
O=C(CCN1C=CN=C1)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141190	0	50	-1.0	-52.62	406.17	6.64	-45.98
O=C(CCN1C=CN=C1)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141190	1	50	-1.0	-52.65	406.23	6.67	-45.98
CCC1=NOC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020141191	0	40	-1.0	-43.30	330.26	2.52	-40.78
CCC1=NOC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020141191	1	40	-1.0	-43.25	330.32	2.54	-40.71
CC1=NN(C2=CC=CC=C2)C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020141192	0	48	-1.0	-47.08	393.08	8.47	-38.61
CC1=NN(C2=CC=CC=C2)C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020141192	1	48	-1.0	-47.09	393.13	8.49	-38.60
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300020141193	0	45	-1.0	-52.18	380.72	6.38	-45.80
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300020141193	1	45	-1.0	-52.20	380.67	6.36	-45.84
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=CC=C(F)C=C21	REAL300020141194	0	39	-1.0	-38.20	329.78	6.57	-31.63
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=CC=C(F)C=C21	REAL300020141194	1	39	-1.0	-38.18	329.84	6.60	-31.58
CC(C)(C)CC(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141195	0	45	-1.0	-43.36	346.85	2.80	-40.56
CC(C)(C)CC(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141195	1	45	-1.0	-43.37	346.91	2.82	-40.55
O=C(CSCC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141196	0	39	-1.0	-51.62	334.02	5.11	-46.51
O=C(CSCC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141196	1	39	-1.0	-51.61	333.96	5.08	-46.53
O=C(CC1=CC=C2OCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141197	0	39	-1.0	-51.38	320.74	4.10	-47.28
O=C(CC1=CC=C2OCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141197	1	39	-1.0	-51.41	320.80	4.12	-47.29
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020141198	0	39	-1.0	-45.44	325.19	5.60	-39.84
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020141198	1	39	-1.0	-45.44	325.25	5.62	-39.82
COC1=CC=CC(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141199	0	43	-1.0	-45.87	339.14	5.10	-40.77
COC1=CC=CC(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141199	1	43	-1.0	-45.83	339.20	5.13	-40.70
CCSCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141200	0	43	-1.0	-45.96	358.08	7.22	-38.74
CCSCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141200	1	43	-1.0	-45.97	358.14	7.24	-38.73
COC(=O)COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141201	0	43	-1.0	-51.90	355.77	5.35	-46.55
COC(=O)COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141201	1	43	-1.0	-51.91	355.82	5.37	-46.54
COC(=O)COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141202	0	43	-1.0	-51.96	356.30	5.37	-46.59
COC(=O)COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141202	1	43	-1.0	-51.96	356.35	5.39	-46.57
O=C(C1=CC2=C(C=CS2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141203	0	33	-1.0	-38.77	297.49	4.92	-33.85
O=C(C1=CC2=C(C=CS2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141203	1	33	-1.0	-38.79	297.55	4.95	-33.84
COC1=CC=C2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC(=O)OC2=C1	REAL300020141204	0	45	-1.0	-55.15	368.83	6.14	-49.01
COC1=CC=C2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020141204	1	45	-1.0	-55.20	368.89	6.17	-49.03
CC1=NN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020141205	0	38	-1.0	-45.77	328.92	3.62	-42.15
CC1=NN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020141205	1	38	-1.0	-45.80	328.98	3.65	-42.15
CSC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2C=CC=CN12	REAL300020141206	0	40	-1.0	-51.29	338.08	6.81	-44.48
CSC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2C=CC=CN12	REAL300020141206	1	40	-1.0	-51.28	338.03	6.78	-44.50
O=C(CCNC(=O)OCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141207	0	40	-1.0	-51.90	347.77	1.56	-50.34
O=C(CCNC(=O)OCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141207	1	40	-1.0	-51.88	347.83	1.59	-50.29
O=C(CCCOC1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141208	0	43	-1.0	-54.51	352.26	5.91	-48.60
O=C(CCCOC1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141208	1	43	-1.0	-54.53	352.32	5.93	-48.60
O=C(C1=CC=C(NC2CC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141209	0	41	-1.0	-47.12	329.61	3.95	-43.17
O=C(C1=CC=C(NC2CC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141209	1	41	-1.0	-47.10	329.56	3.92	-43.18
CN1N=NN=C1SCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141210	0	38	-1.0	-55.75	329.65	2.88	-52.87
CN1N=NN=C1SCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141210	1	38	-1.0	-55.73	329.59	2.85	-52.88
O=C(CCOCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141211	0	43	-1.0	-45.55	350.13	5.55	-40.00
O=C(CCOCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141211	1	43	-1.0	-45.53	350.19	5.58	-39.95
CC(=O)NCC(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141212	0	40	-1.0	-47.97	332.33	-1.41	-49.38
CC(=O)NCC(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141212	1	40	-1.0	-48.01	332.39	-1.38	-49.39
CCNC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020141213	0	48	-1.0	-58.78	362.49	2.42	-56.36
CCNC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020141213	1	48	-1.0	-58.80	362.55	2.44	-56.36
CC(C)C(OC1=CC=CC=C1C#N)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141214	0	47	-1.0	-59.75	366.38	7.16	-52.59
CC(C)C(OC1=CC=CC=C1C#N)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141214	1	47	-1.0	-59.81	366.44	7.18	-52.63
CC(SC1=NN=NN1C1CC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141215	0	42	-1.0	-41.96	354.05	4.29	-37.67
CC(SC1=NN=NN1C1CC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141215	1	42	-1.0	-41.98	354.00	4.26	-37.72
CCCOC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141216	0	43	-1.0	-40.49	360.69	6.29	-34.20
CCCOC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141216	1	43	-1.0	-40.50	360.75	6.32	-34.18
C=CC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141217	0	44	-1.0	-50.07	364.83	3.99	-46.08
C=CC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141217	1	44	-1.0	-50.09	364.89	4.02	-46.07
COC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=C1OC	REAL300020141218	0	51	-1.0	-49.27	409.31	5.48	-43.79
COC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=C1OC	REAL300020141218	1	51	-1.0	-49.26	409.37	5.51	-43.75
O=C(CN1C=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141219	0	40	-1.0	-51.50	327.86	6.87	-44.63
O=C(CN1C=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141219	1	40	-1.0	-51.52	327.92	6.89	-44.63
O=C(C1CCN(C2=CC=C(Cl)C=C2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141220	0	44	-1.0	-48.18	358.32	6.10	-42.08
O=C(C1CCN(C2=CC=C(Cl)C=C2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141220	1	44	-1.0	-48.17	358.38	6.12	-42.05
O=C(C1=CC=NC(OCC2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141221	0	46	-1.0	-47.78	379.34	5.18	-42.60
O=C(C1=CC=NC(OCC2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141221	1	46	-1.0	-47.79	379.29	5.15	-42.64
NC(=O)C1CCCN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)C1	REAL300020141222	0	52	-1.0	-51.04	398.56	2.28	-48.76
NC(=O)C1CCCN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)C1	REAL300020141222	1	52	-1.0	-51.04	398.62	2.31	-48.73
O=C(CCCOC1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141223	0	43	-1.0	-52.07	352.48	5.91	-46.16
O=C(CCCOC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141223	1	43	-1.0	-52.05	352.54	5.94	-46.11
CCN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=CC=CC=C21	REAL300020141224	0	43	-1.0	-45.46	339.78	6.84	-38.62
CCN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C21	REAL300020141224	1	43	-1.0	-45.45	339.83	6.86	-38.59
CC(NC(=O)C1CCCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141225	0	49	-1.0	-40.68	373.11	4.10	-36.58
CC(NC(=O)C1CCCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141225	1	49	-1.0	-40.70	373.17	4.12	-36.58
CC1=CC=C(C2=NOC(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)C=C1F	REAL300020141226	0	47	-1.0	-47.17	393.72	5.61	-41.56
CC1=CC=C(C2=NOC(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C=C1F	REAL300020141226	1	47	-1.0	-47.14	393.67	5.59	-41.55
CC1=CC(C2=NOC(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)=CC=C1F	REAL300020141227	0	47	-1.0	-46.03	393.71	5.61	-40.42
CC1=CC(C2=NOC(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)=CC=C1F	REAL300020141227	1	47	-1.0	-46.06	393.65	5.59	-40.47
CC1=CC=C2OC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020141228	0	39	-1.0	-43.66	319.61	5.75	-37.91
CC1=CC=C2OC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020141228	1	39	-1.0	-43.67	319.67	5.78	-37.89
O=C(C1=CC=CO1)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141229	0	47	-1.0	-60.17	362.11	5.90	-54.27
O=C(C1=CC=CO1)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141229	1	47	-1.0	-60.24	362.16	5.92	-54.32
CCCCCCOC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141230	0	55	-1.0	-48.50	432.02	8.80	-39.70
CCCCCCOC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141230	1	55	-1.0	-48.49	432.08	8.83	-39.66
O=C(C1=CC=CN1CC1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141231	0	41	-1.0	-48.85	343.77	6.86	-41.99
O=C(C1=CC=CN1CC1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141231	1	41	-1.0	-48.86	343.82	6.88	-41.98
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141232	0	40	-1.0	-48.69	345.14	6.71	-41.98
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141232	1	40	-1.0	-48.62	345.08	6.68	-41.94
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=CC=CC=C21	REAL300020141233	0	40	-1.0	-45.54	317.94	5.94	-39.60
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C21	REAL300020141233	1	40	-1.0	-45.54	318.00	5.97	-39.57
O=C(CCC1=CC=C(C2=CC=CC=C2)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141234	0	47	-1.0	-46.57	378.91	7.57	-39.00
O=C(CCC1=CC=C(C2=CC=CC=C2)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141234	1	47	-1.0	-46.61	378.97	7.59	-39.02
O=C(C1=CC2=C(OC(F)(F)F)C=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141235	0	41	-1.0	-46.70	346.95	4.70	-42.00
O=C(C1=CC2=C(OC(F)(F)F)C=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141235	1	41	-1.0	-46.74	347.00	4.73	-42.01
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020141236	0	42	-1.0	-45.62	335.94	6.76	-38.86
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020141236	1	42	-1.0	-45.58	335.99	6.79	-38.79
CC1=CNC(=O)N1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141237	0	44	-1.0	-54.99	360.93	5.25	-49.74
CC1=CNC(=O)N1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141237	1	44	-1.0	-54.97	360.98	5.27	-49.70
O=C(CNC(=O)NCC1=CC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141238	0	42	-1.0	-46.23	350.37	0.72	-45.51
O=C(CNC(=O)NCC1=CC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141238	1	42	-1.0	-46.23	350.42	0.75	-45.48
CCCC(=O)N1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141239	0	46	-1.0	-58.68	353.47	5.41	-53.27
CCCC(=O)N1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141239	1	46	-1.0	-58.70	353.53	5.43	-53.27
CC1=CC=C(C)C(OCCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141240	0	52	-1.0	-48.30	409.05	8.05	-40.25
CC1=CC=C(C)C(OCCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141240	1	52	-1.0	-48.36	409.11	8.07	-40.29
CC(C)(C)C1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020141241	0	41	-1.0	-44.24	337.05	4.17	-40.07
CC(C)(C)C1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020141241	1	41	-1.0	-44.23	336.99	4.15	-40.08
COC1=CC=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141242	0	39	-1.0	-56.35	323.98	5.21	-51.14
COC1=CC=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141242	1	39	-1.0	-56.37	324.03	5.24	-51.13
CC(C)OC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141243	0	43	-1.0	-38.88	360.72	6.23	-32.65
CC(C)OC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141243	1	43	-1.0	-38.91	360.78	6.25	-32.66
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141244	0	40	-1.0	-49.43	334.82	6.26	-43.17
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141244	1	40	-1.0	-49.42	334.76	6.24	-43.18
O=C(CN1CCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141245	0	42	-1.0	-47.11	332.66	4.86	-42.25
O=C(CN1CCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141245	1	42	-1.0	-47.17	332.72	4.89	-42.28
O=C(C1CCC[N@@H+]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141246	0	49	0.0	-60.95	366.75	7.28	-53.67
O=C(C1CCC[N@H+]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141246	1	49	0.0	-61.56	366.86	7.24	-54.32
O=C(CNC1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141247	0	38	-1.0	-48.23	321.94	4.27	-43.96
O=C(CNC1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141247	1	38	-1.0	-48.23	322.00	4.29	-43.94
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC=C1	REAL300020141248	0	45	-1.0	-57.02	364.73	5.61	-51.41
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC=C1	REAL300020141248	1	45	-1.0	-57.01	364.79	5.64	-51.37
COC1=CC=C(Cl)C=C1NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141249	0	45	-1.0	-48.57	374.83	4.30	-44.27
COC1=CC=C(Cl)C=C1NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141249	1	45	-1.0	-48.51	374.89	4.33	-44.18
O=C(C1=C(Cl)N=C(N2CCCC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141250	0	41	-1.0	-41.15	347.76	3.70	-37.45
O=C(C1=C(Cl)N=C(N2CCCC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141250	1	41	-1.0	-41.14	347.70	3.67	-37.47
COC1=CC=C(N2C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020141251	0	44	-1.0	-49.71	357.85	5.48	-44.23
COC1=CC=C(N2C=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020141251	1	44	-1.0	-49.74	357.79	5.46	-44.28
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020141252	0	45	-1.0	-45.67	368.27	7.71	-37.96
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020141252	1	45	-1.0	-45.65	368.33	7.73	-37.92
CC1=CC=CC=C1C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020141253	0	50	-1.0	-45.39	354.83	5.40	-39.99
CC1=CC=CC=C1C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020141253	1	50	-1.0	-45.41	354.89	5.42	-39.99
CC1=CC=CC(OCCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141254	0	49	-1.0	-48.13	388.94	7.29	-40.84
CC1=CC=CC(OCCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141254	1	49	-1.0	-48.09	389.00	7.31	-40.78
O=C(CC1=CC=CC=C1)N1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141255	0	50	-1.0	-60.02	391.98	7.62	-52.40
O=C(CC1=CC=CC=C1)N1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141255	1	50	-1.0	-59.96	392.04	7.65	-52.31
CC(OC1=CC=CC(C#N)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141256	0	41	-1.0	-54.03	338.00	6.08	-47.95
CC(OC1=CC=CC(C#N)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141256	1	41	-1.0	-53.98	338.05	6.10	-47.88
O=C(C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141257	0	50	-1.0	-54.12	401.76	8.65	-45.47
O=C(C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141257	1	50	-1.0	-54.12	401.70	8.63	-45.49
NC(=O)C1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141258	0	41	-1.0	-57.59	338.06	2.16	-55.43
NC(=O)C1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141258	1	41	-1.0	-57.60	338.12	2.18	-55.42
O=C(C1=NC=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141259	0	38	-1.0	-48.72	314.07	4.97	-43.75
O=C(C1=NC=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141259	1	38	-1.0	-48.74	314.01	4.94	-43.80
O=C(C1=CC(F)=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020141260	0	35	-1.0	-53.73	300.92	5.98	-47.75
O=C(C1=CC(F)=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020141260	1	35	-1.0	-53.74	300.98	6.00	-47.74
O=C(C1=CC2=CC=CN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141261	0	38	-1.0	-39.91	311.25	4.82	-35.09
O=C(C1=CC2=CC=CN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141261	1	38	-1.0	-39.88	311.19	4.79	-35.09
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(F)=C2)CCCCC1	REAL300020141262	0	49	-1.0	-50.83	360.77	7.54	-43.29
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(F)=C2)CCCCC1	REAL300020141262	1	49	-1.0	-50.88	360.82	7.57	-43.31
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300020141263	0	47	-1.0	-47.63	393.86	9.02	-38.61
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300020141263	1	47	-1.0	-47.65	393.92	9.04	-38.61
O=C(C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141264	0	43	-1.0	-47.45	370.02	6.64	-40.81
O=C(C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141264	1	43	-1.0	-47.41	369.96	6.61	-40.80
N#CCOC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141265	0	38	-1.0	-45.99	320.72	4.67	-41.32
N#CCOC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141265	1	38	-1.0	-45.93	320.78	4.70	-41.23
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1	REAL300020141266	0	41	-1.0	-51.25	359.43	2.63	-48.62
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020141266	1	41	-1.0	-51.30	359.49	2.65	-48.65
CC(C)(C)C(=O)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020141267	0	52	-1.0	-48.61	381.44	5.14	-43.47
CC(C)(C)C(=O)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020141267	1	52	-1.0	-48.62	381.50	5.17	-43.45
CCOC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020141268	0	39	-1.0	-44.57	334.03	3.60	-40.97
CCOC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020141268	1	39	-1.0	-44.59	333.97	3.58	-41.01
O=C(C1=CSC(C2=CC=C(Cl)S2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141269	0	36	-1.0	-44.75	342.78	5.70	-39.05
O=C(C1=CSC(C2=CC=C(Cl)S2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141269	1	36	-1.0	-44.75	342.72	5.67	-39.08
O=C(CC1=CSC(C2=CC=C(Cl)S2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141270	0	39	-1.0	-53.65	367.10	6.06	-47.59
O=C(CC1=CSC(C2=CC=C(Cl)S2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141270	1	39	-1.0	-53.64	367.05	6.04	-47.60
CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141271	0	53	-1.0	-55.58	392.61	6.13	-49.45
CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141271	1	53	-1.0	-55.56	392.67	6.16	-49.40
CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141272	0	49	-1.0	-42.06	364.59	3.48	-38.58
CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141272	1	49	-1.0	-42.02	364.64	3.50	-38.52
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141273	0	41	-1.0	-49.58	325.25	5.63	-43.95
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141273	1	41	-1.0	-49.54	325.31	5.66	-43.88
COCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020141274	0	47	-1.0	-51.81	380.40	6.12	-45.69
COCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020141274	1	47	-1.0	-51.81	380.46	6.15	-45.66
O=C(C1=C(C2CC2)OC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141275	0	46	-1.0	-44.79	376.97	6.53	-38.26
O=C(C1=C(C2CC2)OC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141275	1	46	-1.0	-44.82	376.91	6.50	-38.32
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(F)C=C2)CCCCC1	REAL300020141276	0	49	-1.0	-46.67	360.86	7.57	-39.10
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(F)C=C2)CCCCC1	REAL300020141276	1	49	-1.0	-46.69	360.92	7.60	-39.09
COC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCOCC2)C=C1	REAL300020141277	0	51	-1.0	-47.78	375.71	4.45	-43.33
COC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCOCC2)C=C1	REAL300020141277	1	51	-1.0	-47.76	375.77	4.47	-43.29
C=CCOC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020141278	0	40	-1.0	-44.54	346.93	4.19	-40.35
C=CCOC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020141278	1	40	-1.0	-44.59	346.88	4.16	-40.43
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(F)=C2)CCOCC1	REAL300020141279	0	47	-1.0	-43.31	352.90	5.24	-38.07
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(F)=C2)CCOCC1	REAL300020141279	1	47	-1.0	-43.33	352.95	5.26	-38.07
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(F)C=C2)CCOCC1	REAL300020141280	0	47	-1.0	-46.14	352.63	5.23	-40.91
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(F)C=C2)CCOCC1	REAL300020141280	1	47	-1.0	-46.17	352.69	5.25	-40.92
O=C(C1=CC=C(OCC2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141281	0	44	-1.0	-45.15	353.47	6.26	-38.89
O=C(C1=CC=C(OCC2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141281	1	44	-1.0	-45.18	353.52	6.29	-38.89
CCCS(=O)(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141282	0	38	-1.0	-63.63	319.18	1.20	-62.43
CCCS(=O)(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141282	1	38	-1.0	-63.61	319.24	1.23	-62.38
O=C(CSCC1=CC=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141283	0	40	-1.0	-49.19	369.91	7.81	-41.38
O=C(CSCC1=CC=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141283	1	40	-1.0	-49.17	369.97	7.83	-41.34
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=C(C)C=CC(C)=C12	REAL300020141284	0	45	-1.0	-44.20	353.34	7.00	-37.20
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=C(C)C=CC(C)=C12	REAL300020141284	1	45	-1.0	-44.17	353.39	7.02	-37.15
O=C(C1=CN=C(C2=CC=CC=C2F)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141285	0	39	-1.0	-41.48	339.26	5.63	-35.85
O=C(C1=CN=C(C2=CC=CC=C2F)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141285	1	39	-1.0	-41.46	339.21	5.61	-35.85
O=C(C1=CC=CN=C1SC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141286	0	36	-1.0	-38.52	323.47	4.69	-33.83
O=C(C1=CC=CN=C1SC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141286	1	36	-1.0	-38.45	323.41	4.67	-33.78
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)O1	REAL300020141287	0	48	-1.0	-44.02	386.76	6.38	-37.64
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CC=C2)O1	REAL300020141287	1	48	-1.0	-44.01	386.70	6.36	-37.65
CCCCCCCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141288	0	56	-1.0	-46.11	428.14	9.47	-36.64
CCCCCCCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141288	1	56	-1.0	-46.12	428.20	9.49	-36.63
NC(=O)C1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141289	0	34	-1.0	-42.77	296.06	0.18	-42.59
NC(=O)C1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141289	1	34	-1.0	-42.77	296.11	0.20	-42.57
COCCOC1=NC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141290	0	43	-1.0	-53.82	352.66	1.76	-52.06
COCCOC1=NC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141290	1	43	-1.0	-53.79	352.61	1.73	-52.06
O=C(CCSC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141291	0	40	-1.0	-45.17	356.15	7.33	-37.84
O=C(CCSC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141291	1	40	-1.0	-45.19	356.21	7.35	-37.84
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020141292	0	50	-1.0	-48.38	403.75	6.30	-42.08
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020141292	1	50	-1.0	-48.42	403.80	6.33	-42.09
O=C(C1CCN(C2=CC=C(F)C=C2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141293	0	44	-1.0	-48.71	348.01	5.65	-43.06
O=C(C1CCN(C2=CC=C(F)C=C2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141293	1	44	-1.0	-48.73	348.07	5.67	-43.06
CC1=CC(C)=CC(N2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=O)=C1	REAL300020141294	0	50	-1.0	-48.88	384.36	6.90	-41.98
CC1=CC(C)=CC(N2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020141294	1	50	-1.0	-48.90	384.42	6.92	-41.98
CCN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141295	0	44	-1.0	-48.38	347.31	6.57	-41.81
CCN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141295	1	44	-1.0	-48.44	347.36	6.59	-41.85
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CN=C2)=N1	REAL300020141296	0	42	-1.0	-55.41	347.56	3.93	-51.48
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CN=C2)=N1	REAL300020141296	1	42	-1.0	-55.40	347.51	3.90	-51.50
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CCC#N	REAL300020141297	0	40	-1.0	-48.93	334.94	4.08	-44.85
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CCC#N	REAL300020141297	1	40	-1.0	-48.91	334.99	4.11	-44.80
O=C(CCCC[NH+]1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141298	0	48	0.0	-69.83	361.60	6.50	-63.33
O=C(CCCC[NH+]1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141298	1	48	0.0	-69.84	361.66	6.53	-63.31
CC1=CSC(C(O)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)(F)F)=N1	REAL300020141299	0	42	-1.0	-44.60	358.17	2.70	-41.90
CC1=CSC(C(O)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)(F)F)=N1	REAL300020141299	1	42	-1.0	-44.62	358.23	2.73	-41.89
CCOC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141300	0	43	-1.0	-49.99	343.28	6.17	-43.82
CCOC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141300	1	43	-1.0	-49.98	343.34	6.19	-43.79
O=C(CNC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020141301	0	40	-1.0	-58.32	330.47	4.56	-53.76
O=C(CNC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020141301	1	40	-1.0	-58.33	330.53	4.58	-53.75
O=C(C1=CC=C2NC(=O)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141302	0	36	-1.0	-51.09	302.32	1.95	-49.14
O=C(C1=CC=C2NC(=O)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141302	1	36	-1.0	-51.08	302.38	1.98	-49.10
N#CC1=CC=CC=C1COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141303	0	48	-1.0	-47.70	398.66	8.11	-39.59
N#CC1=CC=CC=C1COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141303	1	48	-1.0	-47.68	398.71	8.14	-39.54
CC(C)OC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141304	0	43	-1.0	-40.90	358.00	6.17	-34.73
CC(C)OC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141304	1	43	-1.0	-40.93	358.06	6.19	-34.74
CCC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020141305	0	38	-1.0	-51.90	321.61	4.06	-47.84
CCC1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020141305	1	38	-1.0	-51.88	321.67	4.09	-47.79
O=C(C1=CC(Br)=C2OCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141306	0	36	-1.0	-43.76	317.81	3.72	-40.04
O=C(C1=CC(Br)=C2OCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141306	1	36	-1.0	-43.78	317.87	3.75	-40.03
CC(=O)NC1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141307	0	40	-1.0	-47.10	333.03	3.38	-43.72
CC(=O)NC1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141307	1	40	-1.0	-47.11	333.09	3.41	-43.70
CC(=O)NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020141308	0	40	-1.0	-55.65	328.70	3.39	-52.26
CC(=O)NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020141308	1	40	-1.0	-55.62	328.76	3.42	-52.20
O=C(C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141309	0	40	-1.0	-45.36	362.85	6.85	-38.51
O=C(C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141309	1	40	-1.0	-45.35	362.80	6.83	-38.52
CC1=C(C)C2=C(NC(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)=NC2=O)S1	REAL300020141310	0	47	-1.0	-52.46	388.53	4.70	-47.76
CC1=C(C)C2=C(NC(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)=NC2=O)S1	REAL300020141310	1	47	-1.0	-52.46	388.59	4.73	-47.73
CC1=NOC(Cl)=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141311	0	38	-1.0	-44.95	328.85	4.84	-40.11
CC1=NOC(Cl)=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141311	1	38	-1.0	-44.94	328.91	4.87	-40.07
COCCOC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141312	0	44	-1.0	-44.07	354.99	4.26	-39.81
COCCOC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141312	1	44	-1.0	-44.12	355.05	4.28	-39.84
O=C(C1=CC=C(OCC2CCCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141313	0	53	-1.0	-45.53	404.44	8.04	-37.49
O=C(C1=CC=C(OCC2CCCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141313	1	53	-1.0	-45.53	404.50	8.06	-37.47
COCCOC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141314	0	44	-1.0	-47.52	354.89	3.92	-43.60
COCCOC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141314	1	44	-1.0	-47.53	354.95	3.95	-43.58
CCSC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020141315	0	39	-1.0	-46.06	330.40	4.74	-41.32
CCSC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020141315	1	39	-1.0	-46.06	330.35	4.71	-41.35
O=C(CCNC(=O)C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141316	0	43	-1.0	-56.51	357.58	3.96	-52.55
O=C(CCNC(=O)C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141316	1	43	-1.0	-56.51	357.64	3.99	-52.52
CC1=CC=C(C)N1C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C	REAL300020141317	0	47	-1.0	-48.25	382.14	6.84	-41.41
CC1=CC=C(C)N1C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C	REAL300020141317	1	47	-1.0	-48.23	382.08	6.82	-41.41
CCOC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141318	0	46	-1.0	-46.50	367.45	6.48	-40.02
CCOC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141318	1	46	-1.0	-46.49	367.51	6.51	-39.98
CNC(=O)COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020141319	0	48	-1.0	-57.97	389.61	3.05	-54.92
CNC(=O)COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020141319	1	48	-1.0	-57.96	389.66	3.08	-54.88
CC1=CC=C(OCC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)C(C)=C1	REAL300020141320	0	50	-1.0	-44.98	404.69	7.62	-37.36
CC1=CC=C(OCC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)O2)C(C)=C1	REAL300020141320	1	50	-1.0	-44.98	404.74	7.64	-37.34
CC1=CC=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300020141321	0	43	-1.0	-47.39	340.29	6.96	-40.43
CC1=CC=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020141321	1	43	-1.0	-47.39	340.34	6.99	-40.40
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Br)=C2)CCC1	REAL300020141322	0	43	-1.0	-49.67	350.71	7.19	-42.48
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Br)=C2)CCC1	REAL300020141322	1	43	-1.0	-49.64	350.76	7.22	-42.42
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=C(C)C=CC=C12	REAL300020141323	0	42	-1.0	-44.01	337.54	6.52	-37.49
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=C(C)C=CC=C12	REAL300020141323	1	42	-1.0	-44.02	337.60	6.55	-37.47
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=C1N(C)C(=O)N(C)C2=O	REAL300020141324	0	46	-1.0	-45.98	359.74	4.79	-41.19
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=C1N(C)C(=O)N(C)C2=O	REAL300020141324	1	46	-1.0	-45.98	359.79	4.82	-41.16
O=C(C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141325	0	47	-1.0	-47.05	397.91	8.21	-38.84
O=C(C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141325	1	47	-1.0	-47.04	397.96	8.24	-38.80
O=C(CN1C=CC2=CC=C(Cl)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141326	0	40	-1.0	-51.04	344.57	7.38	-43.66
O=C(CN1C=CC2=CC=C(Cl)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141326	1	40	-1.0	-51.02	344.63	7.40	-43.62
O=C(CCC1=CC(F)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141327	0	39	-1.0	-46.11	327.96	6.35	-39.76
O=C(CCC1=CC(F)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141327	1	39	-1.0	-46.14	328.02	6.38	-39.76
CC1=C(C)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)S1	REAL300020141328	0	39	-1.0	-53.61	327.85	4.22	-49.39
CC1=C(C)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)S1	REAL300020141328	1	39	-1.0	-53.60	327.91	4.25	-49.35
O=C(CCCNC(=O)C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141329	0	46	-1.0	-49.64	379.08	4.77	-44.87
O=C(CCCNC(=O)C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141329	1	46	-1.0	-49.65	379.14	4.79	-44.86
O=C(C1=NN2C=C(Br)C=NC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141330	0	34	-1.0	-47.12	309.06	6.03	-41.09
O=C(C1=NN2C=C(Br)C=NC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141330	1	34	-1.0	-47.13	309.01	6.01	-41.12
CSC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020141331	0	36	-1.0	-46.02	308.94	3.87	-42.15
CSC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020141331	1	36	-1.0	-46.01	308.88	3.84	-42.17
CC(C)NC(=O)CN(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141332	0	47	-1.0	-57.76	366.07	1.00	-56.76
CC(C)NC(=O)CN(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141332	1	47	-1.0	-57.73	366.13	1.02	-56.71
CC(C)OC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020141333	0	42	-1.0	-45.64	359.83	3.50	-42.14
CC(C)OC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020141333	1	42	-1.0	-45.63	359.77	3.47	-42.16
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C(F)C=C1	REAL300020141334	0	36	-1.0	-40.09	308.31	5.47	-34.62
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C(F)C=C1	REAL300020141334	1	36	-1.0	-40.13	308.37	5.50	-34.63
CC(OC1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141335	0	42	-1.0	-41.31	360.27	7.39	-33.92
CC(OC1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141335	1	42	-1.0	-41.30	360.32	7.41	-33.89
COC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C21	REAL300020141336	0	42	-1.0	-42.29	340.29	4.68	-37.61
COC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=CC=CC=C21	REAL300020141336	1	42	-1.0	-42.27	340.23	4.66	-37.61
O=C(C1=CC=C(N2NC(=O)CCC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141337	0	45	-1.0	-52.25	366.01	3.40	-48.85
O=C(C1=CC=C(N2NC(=O)CCC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141337	1	45	-1.0	-52.21	366.07	3.43	-48.78
O=C(C1=CC=C(C2=CC=NC=C2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141338	0	42	-1.0	-60.23	348.38	3.30	-56.93
O=C(C1=CC=C(C2=CC=NC=C2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141338	1	42	-1.0	-60.25	348.44	3.33	-56.92
O=C(C1=C(Br)C(C2CC2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141339	0	37	-1.0	-37.44	323.55	4.01	-33.43
O=C(C1=C(Br)C(C2CC2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141339	1	37	-1.0	-37.47	323.60	4.04	-33.43
COCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020141340	0	36	-1.0	-44.28	309.61	2.00	-42.28
COCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020141340	1	36	-1.0	-44.24	309.67	2.03	-42.21
O=C(C(C1=CC=CC=C1)N1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141341	0	43	-1.0	-44.04	341.12	6.17	-37.87
O=C(C(C1=CC=CC=C1)N1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141341	1	43	-1.0	-44.06	341.06	6.15	-37.91
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC1=CC=CC=C1	REAL300020141342	0	44	-1.0	-48.12	345.36	4.47	-43.65
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020141342	1	44	-1.0	-48.11	345.42	4.49	-43.62
C[N@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020141342	1	45	0.0	-69.85	346.95	6.75	-63.10
C[N@@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020141342	1	45	0.0	-69.84	347.04	6.76	-63.08
O=C(C1=CSC(C2=CC=CC=C2F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141343	0	39	-1.0	-45.85	338.18	6.07	-39.78
O=C(C1=CSC(C2=CC=CC=C2F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141343	1	39	-1.0	-45.84	338.13	6.04	-39.80
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1	REAL300020141344	0	38	-1.0	-43.85	319.52	5.76	-38.09
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020141344	1	38	-1.0	-43.85	319.58	5.78	-38.07
O=C(C1=CC=CN(CC2=CC=CC=C2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141345	0	46	-1.0	-56.64	374.35	7.29	-49.35
O=C(C1=CC=CN(CC2=CC=CC=C2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141345	1	46	-1.0	-56.63	374.40	7.31	-49.32
CS(=O)(=O)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2C=CC=CN21	REAL300020141346	0	42	-1.0	-56.47	355.08	3.11	-53.36
CS(=O)(=O)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2C=CC=CN21	REAL300020141346	1	42	-1.0	-56.51	355.02	3.08	-53.43
O=C(C1=CC2=C(N1)SC(Br)=C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141347	0	34	-1.0	-42.72	312.82	4.72	-38.00
O=C(C1=CC2=C(N1)SC(Br)=C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141347	1	34	-1.0	-42.71	312.88	4.75	-37.96
CCCCN(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141348	0	50	-1.0	-46.55	386.63	7.34	-39.21
CCCCN(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141348	1	50	-1.0	-46.53	386.68	7.36	-39.17
CCCN(CC)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141349	0	50	-1.0	-46.45	386.94	7.49	-38.96
CCCN(CC)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141349	1	50	-1.0	-46.48	387.00	7.52	-38.96
O=C(C1=CN=NN1C1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141350	0	39	-1.0	-45.14	335.04	4.66	-40.48
O=C(C1=CN=NN1C1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141350	1	39	-1.0	-45.13	334.99	4.63	-40.50
O=C(C1=CSC(C2=CC=CC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141351	0	38	-1.0	-49.39	329.89	4.19	-45.20
O=C(C1=CSC(C2=CC=CC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141351	1	38	-1.0	-49.42	329.95	4.22	-45.20
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2C(C(C)C)=NOC2=N1	REAL300020141352	0	46	-1.0	-45.17	368.04	3.27	-41.90
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2C(C(C)C)=NOC2=N1	REAL300020141352	1	46	-1.0	-45.17	368.10	3.29	-41.88
O=C(C1CCC[N@H+](CC2=CC=CN=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141353	0	51	0.0	-71.03	384.93	6.45	-64.58
O=C(C1CCC[N@@H+](CC2=CC=CN=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141353	1	51	0.0	-56.66	385.01	6.45	-50.21
O=C(C1CCC[N@H+](CC2=CC=CN=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141353	1	51	0.0	-71.02	384.88	6.42	-64.60
O=C(C1CCC[N@@H+](CC2=CC=CN=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141353	1	51	0.0	-56.62	384.95	6.42	-50.20
O=C(C(C1=CC=CC=C1)N1CCSCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141354	0	49	-1.0	-46.18	383.41	6.18	-40.00
O=C(C(C1=CC=CC=C1)N1CCSCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141354	1	49	-1.0	-46.18	383.46	6.20	-39.98
O=C(C(C1=CC=CC=C1)[NH+]1CCSCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141354	1	50	0.0	-59.88	383.12	8.06	-51.82
CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1NC(=O)C1=CC=NC=C1	REAL300020141355	0	49	-1.0	-59.89	391.29	7.26	-52.63
CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1NC(=O)C1=CC=NC=C1	REAL300020141355	1	49	-1.0	-59.87	391.24	7.23	-52.64
CC1=NN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020141356	0	36	-1.0	-42.88	319.18	3.46	-39.42
CC1=NN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020141356	1	36	-1.0	-42.85	319.24	3.49	-39.36
O=C(C1=C(C2CC2)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141357	0	37	-1.0	-38.62	308.41	5.55	-33.07
O=C(C1=C(C2CC2)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141357	1	37	-1.0	-38.63	308.46	5.58	-33.05
N#CC1=CC=C(NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141358	0	39	-1.0	-48.13	328.33	4.11	-44.02
N#CC1=CC=C(NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141358	1	39	-1.0	-48.12	328.39	4.13	-43.99
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020141359	0	36	-1.0	-40.70	299.57	0.25	-40.45
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020141359	1	36	-1.0	-40.68	299.51	0.23	-40.45
CC1=NN(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020141360	0	43	-1.0	-56.92	349.55	6.20	-50.72
CC1=NN(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020141360	1	43	-1.0	-56.91	349.60	6.22	-50.69
O=C(C1=CN=C(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141361	0	41	-1.0	-44.39	339.70	5.72	-38.67
O=C(C1=CN=C(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141361	1	41	-1.0	-44.35	339.64	5.69	-38.66
CC(C)(C)OC(=O)NCCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141362	0	58	-1.0	-52.19	447.16	5.34	-46.85
CC(C)(C)OC(=O)NCCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141362	1	58	-1.0	-52.19	447.22	5.36	-46.83
O=C(CC1=C2C=CC=CC2=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141364	0	39	-1.0	-53.55	321.56	4.00	-49.55
O=C(CC1=C2C=CC=CC2=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141364	1	39	-1.0	-53.56	321.61	4.02	-49.54
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=NC=C2)=N1	REAL300020141365	0	42	-1.0	-51.65	347.70	3.93	-47.72
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=NC=C2)=N1	REAL300020141365	1	42	-1.0	-51.68	347.76	3.95	-47.73
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CC(C)OC(C)C1	REAL300020141366	0	54	-1.0	-48.11	391.21	4.10	-44.01
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CC(C)OC(C)C1	REAL300020141366	1	54	-1.0	-48.03	391.27	4.13	-43.90
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CC(C)OC(C)C1	REAL300020141366	1	55	0.0	-61.42	377.78	5.64	-55.78
COC(=O)NC(CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141367	0	46	-1.0	-38.49	351.65	1.87	-36.62
COC(=O)NC(CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141367	1	46	-1.0	-38.47	351.71	1.90	-36.57
O=C(C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141368	0	52	0.0	-55.00	397.14	8.30	-46.70
O=C(C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141368	1	52	0.0	-71.31	397.24	8.31	-63.00
O=C(C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141368	1	52	0.0	-55.03	397.20	8.32	-46.71
O=C(C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141368	1	52	0.0	-71.30	397.30	8.34	-62.96
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141369	0	52	0.0	-76.96	390.51	8.24	-68.72
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141369	1	52	0.0	-76.92	390.57	8.27	-68.65
O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141370	0	52	0.0	-73.09	391.01	8.26	-64.83
O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141370	1	52	0.0	-70.55	380.89	8.10	-62.45
O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141370	1	52	0.0	-73.07	391.07	8.28	-64.79
O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141370	1	52	0.0	-70.63	380.95	8.13	-62.50
C#CC[NH+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141371	0	44	0.0	-75.05	339.35	5.89	-69.16
C#CCN1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141371	1	43	-1.0	-47.32	335.83	3.52	-43.80
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141372	0	48	0.0	-59.95	350.28	6.15	-53.80
CCC[N@H+]1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141372	1	48	0.0	-63.08	342.25	5.79	-57.29
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300020141373	0	51	0.0	-60.86	354.48	6.61	-54.25
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)[NH+]1CCCCC1	REAL300020141373	1	51	0.0	-60.88	354.42	6.59	-54.29
NC1=NC([O-])=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020141374	0	34	-2.0	-107.17	301.82	-1.80	-108.97
NC1=NC([O-])=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020141374	1	34	-2.0	-107.15	301.88	-1.78	-108.93
O=C(C1=CC=C(OC2=CC=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141375	0	43	-1.0	-47.56	352.27	5.51	-42.05
O=C(C1=CC=C(OC2=CC=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141375	1	43	-1.0	-47.56	352.21	5.49	-42.07
CN1C=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020141376	0	43	-1.0	-51.52	349.05	7.23	-44.29
CN1C=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020141376	1	43	-1.0	-51.52	349.11	7.26	-44.26
CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141377	0	49	-1.0	-45.44	382.68	5.64	-39.80
CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141377	1	49	-1.0	-45.38	382.73	5.67	-39.71
O=C(C1=CC=C(F)C(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141378	0	36	-1.0	-45.62	314.76	5.49	-40.13
O=C(C1=CC=C(F)C(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141378	1	36	-1.0	-45.61	314.82	5.52	-40.09
O=C(C1=CC=C(Br)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141379	0	33	-1.0	-41.85	297.47	5.11	-36.74
O=C(C1=CC=C(Br)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141379	1	33	-1.0	-41.85	297.53	5.13	-36.72
COC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCC2)C=C1	REAL300020141380	0	50	-1.0	-46.45	368.13	6.89	-39.56
COC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCC2)C=C1	REAL300020141380	1	50	-1.0	-46.45	368.18	6.91	-39.54
CC(OCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141381	0	43	-1.0	-50.86	345.39	6.31	-44.55
CC(OCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141381	1	43	-1.0	-50.86	345.45	6.34	-44.52
O=C(OCC1=CC=CC=C1)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141382	0	54	-1.0	-57.47	419.50	8.16	-49.31
O=C(OCC1=CC=CC=C1)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141382	1	54	-1.0	-57.47	419.56	8.18	-49.29
CS(=O)(=O)C1=CC=C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141383	0	46	-1.0	-53.52	385.22	2.59	-50.93
CS(=O)(=O)C1=CC=C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141383	1	46	-1.0	-53.51	385.27	2.61	-50.90
CCS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141384	0	42	-1.0	-52.18	352.62	2.88	-49.30
CCS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141384	1	42	-1.0	-52.20	352.68	2.90	-49.30
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141385	0	46	-1.0	-43.99	357.17	2.18	-41.81
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141385	1	46	-1.0	-44.01	357.22	2.21	-41.80
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141386	0	50	-1.0	-56.63	382.42	4.98	-51.65
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141386	1	50	-1.0	-56.65	382.47	5.00	-51.65
CC(C)(C)OC(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141387	0	43	-1.0	-44.60	339.07	1.54	-43.06
CC(C)(C)OC(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141387	1	43	-1.0	-44.66	339.13	1.57	-43.09
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141388	0	46	-1.0	-44.00	357.15	2.20	-41.80
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141388	1	46	-1.0	-43.99	357.21	2.23	-41.76
O=C(C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141389	0	42	-1.0	-48.89	356.56	6.85	-42.04
O=C(C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141389	1	42	-1.0	-48.87	356.51	6.83	-42.04
O=C(C1=CN(C2=CC=CC=C2F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141390	0	40	-1.0	-48.80	333.57	5.78	-43.02
O=C(C1=CN(C2=CC=CC=C2F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141390	1	40	-1.0	-48.78	333.52	5.76	-43.02
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020141391	0	40	-1.0	-36.75	329.88	6.79	-29.96
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020141391	1	40	-1.0	-36.76	329.93	6.81	-29.95
CC(=O)CCC1=CC=C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141392	0	51	-1.0	-49.34	412.01	7.20	-42.14
CC(=O)CCC1=CC=C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141392	1	51	-1.0	-49.34	412.07	7.23	-42.11
CC(=O)C1=CC=CC(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141393	0	48	-1.0	-58.96	388.81	6.32	-52.64
CC(=O)C1=CC=CC(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141393	1	48	-1.0	-58.98	388.86	6.35	-52.63
O=C(CNC(=O)OCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141394	0	44	-1.0	-45.60	365.92	3.48	-42.12
O=C(CNC(=O)OCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141394	1	44	-1.0	-45.63	365.98	3.50	-42.13
CC(C)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141395	0	45	-1.0	-45.12	340.09	7.03	-38.09
CC(C)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141395	1	45	-1.0	-45.14	340.15	7.05	-38.09
CCCCC(NC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141396	0	44	-1.0	-56.87	340.50	1.33	-55.54
CCCCC(NC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141396	1	44	-1.0	-56.80	340.55	1.35	-55.45
O=C(CCC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020141397	0	41	-1.0	-52.14	335.60	6.65	-45.49
O=C(CCC1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020141397	1	41	-1.0	-52.14	335.65	6.67	-45.47
CC1=NN(C(F)F)C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141398	0	42	-1.0	-51.13	348.66	4.38	-46.75
CC1=NN(C(F)F)C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141398	1	42	-1.0	-51.15	348.72	4.40	-46.75
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C2OCCOC2=C1	REAL300020141399	0	48	-1.0	-46.90	357.12	5.08	-41.82
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C2OCCOC2=C1	REAL300020141399	1	48	-1.0	-46.91	357.18	5.11	-41.80
O=C(CCN1C=C([N+](=O)[O-])C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141400	0	38	-1.0	-46.71	327.28	4.16	-42.55
O=C(CCN1C=C([N+](=O)[O-])C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141400	1	38	-1.0	-46.73	327.22	4.13	-42.60
CC1=NC([N+](=O)[O-])=CN1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141401	0	41	-1.0	-51.33	346.75	6.45	-44.88
CC1=NC([N+](=O)[O-])=CN1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141401	1	41	-1.0	-51.29	346.81	6.48	-44.81
CCN(CC)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020141402	0	46	-1.0	-47.30	361.96	6.17	-41.13
CCN(CC)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020141402	1	46	-1.0	-47.31	361.90	6.15	-41.16
COC1=CC=C(C)C=C1N1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020141403	0	47	-1.0	-49.72	375.90	6.53	-43.19
COC1=CC=C(C)C=C1N1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020141403	1	47	-1.0	-49.69	375.84	6.51	-43.18
CN1C(=O)NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020141404	0	40	-1.0	-42.71	327.97	3.28	-39.43
CN1C(=O)NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020141404	1	40	-1.0	-42.73	328.03	3.30	-39.43
CN(C)C(=O)CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020141405	0	42	-1.0	-58.88	344.30	1.79	-57.09
CN(C)C(=O)CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020141405	1	42	-1.0	-58.89	344.24	1.76	-57.13
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020141406	0	57	0.0	-75.98	416.33	6.68	-69.30
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020141406	1	57	0.0	-75.96	416.39	6.70	-69.26
O=C(CN1C(=O)CN2C(=CC3=CC=CC=C32)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141407	0	47	-1.0	-53.28	387.08	6.08	-47.20
O=C(CN1C(=O)CN2C(=CC3=CC=CC=C32)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141407	1	47	-1.0	-53.31	387.14	6.10	-47.21
O=C(CC1=CSC(CC2=CC=C(F)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141408	0	45	-1.0	-54.18	387.89	7.16	-47.02
O=C(CC1=CSC(CC2=CC=C(F)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141408	1	45	-1.0	-54.24	387.94	7.19	-47.05
CC1=CC=CC=C1N1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=C1CCC2	REAL300020141409	0	50	-1.0	-50.17	398.94	8.59	-41.58
CC1=CC=CC=C1N1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=C1CCC2	REAL300020141409	1	50	-1.0	-50.16	399.00	8.61	-41.55
N#CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020141410	0	38	-1.0	-54.91	340.41	6.27	-48.64
N#CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020141410	1	38	-1.0	-54.93	340.47	6.30	-48.63
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=C(Cl)S2)=N1	REAL300020141411	0	39	-1.0	-38.12	363.59	5.72	-32.40
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=C(Cl)S2)=N1	REAL300020141411	1	39	-1.0	-38.13	363.54	5.70	-32.43
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC(Cl)=C1	REAL300020141412	0	36	-1.0	-39.02	318.66	5.92	-33.10
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC(Cl)=C1	REAL300020141412	1	36	-1.0	-39.04	318.71	5.94	-33.10
CC(C)OC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141413	0	46	-1.0	-49.78	363.95	6.28	-43.50
CC(C)OC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141413	1	46	-1.0	-49.81	364.01	6.31	-43.50
O=C(COCCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141414	0	43	-1.0	-49.49	350.67	6.64	-42.85
O=C(COCCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141414	1	43	-1.0	-49.47	350.73	6.67	-42.80
COC1=CC=CC=C1C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020141415	0	43	-1.0	-47.36	360.84	5.62	-41.74
COC1=CC=CC=C1C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020141415	1	43	-1.0	-47.38	360.78	5.60	-41.78
O=C(C1CC(=O)N(CCN2CCOCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141416	0	53	-1.0	-50.04	406.72	1.76	-48.28
O=C(C1CC(=O)N(CCN2CCOCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141416	1	53	-1.0	-50.01	406.78	1.78	-48.23
NS(=O)(=O)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141417	0	41	-1.0	-55.61	348.76	0.10	-55.51
NS(=O)(=O)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141417	1	41	-1.0	-55.61	348.81	0.13	-55.48
CC(OCC1CCCO1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141418	0	44	-1.0	-54.16	342.35	3.67	-50.49
CC(OCC1CCCO1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141418	1	44	-1.0	-54.21	342.41	3.70	-50.51
O=C(C1=CC=C(C2=CC=CS2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141419	0	40	-1.0	-59.63	345.65	4.10	-55.53
O=C(C1=CC=C(C2=CC=CS2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141419	1	40	-1.0	-59.67	345.59	4.07	-55.60
CC(C)CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020141420	0	41	-1.0	-45.63	337.49	5.20	-40.43
CC(C)CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020141420	1	41	-1.0	-45.61	337.55	5.22	-40.39
CC1=CC=C(CCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141421	0	48	-1.0	-46.90	380.50	8.50	-38.40
CC1=CC=C(CCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141421	1	48	-1.0	-46.93	380.56	8.52	-38.41
CC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020141422	0	35	-1.0	-43.00	306.25	2.33	-40.67
CC1=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1	REAL300020141422	1	35	-1.0	-43.80	301.90	2.88	-40.92
CC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020141422	1	35	-1.0	-42.99	306.30	2.36	-40.63
CC1=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1	REAL300020141422	1	35	-1.0	-43.80	301.96	2.90	-40.90
O=C(C1=CN(C2=CC=CC=C2Cl)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141423	0	40	-1.0	-47.46	341.29	6.33	-41.13
O=C(C1=CN(C2=CC=CC=C2Cl)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141423	1	40	-1.0	-47.47	341.23	6.30	-41.17
O=C(COC1=CC=C([N+](=O)[O-])C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141424	0	39	-1.0	-55.87	336.30	6.04	-49.83
O=C(COC1=CC=C([N+](=O)[O-])C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141424	1	39	-1.0	-55.90	336.36	6.07	-49.83
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020141425	0	39	-1.0	-55.67	332.35	6.44	-49.23
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020141425	1	39	-1.0	-55.68	332.41	6.47	-49.21
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020141426	0	56	-1.0	-48.25	417.28	6.42	-41.83
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141426	1	56	-1.0	-48.26	417.34	6.45	-41.81
COC1=CC=C2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)COC2=C1	REAL300020141427	0	45	-1.0	-45.83	354.57	4.46	-41.37
COC1=CC=C2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)COC2=C1	REAL300020141427	1	45	-1.0	-45.82	354.62	4.49	-41.33
O=C(C1=CN(C2=CC=CC=C2Cl)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141428	0	39	-1.0	-46.40	336.56	5.28	-41.12
O=C(C1=CN(C2=CC=CC=C2Cl)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141428	1	39	-1.0	-46.39	336.50	5.26	-41.13
O=C(CCCC1=CC=C2CC3=CC=CC=C3C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141429	0	53	-1.0	-51.72	421.82	11.15	-40.57
O=C(CCCC1=CC=C2CC3=CC=CC=C3C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141429	1	53	-1.0	-51.73	421.88	11.17	-40.56
O=C(C1=CSC(C2CC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141430	0	36	-1.0	-45.76	306.02	4.45	-41.31
O=C(C1=CSC(C2CC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141430	1	36	-1.0	-45.74	306.08	4.48	-41.26
O=C(CCCOC1=CC=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141431	0	43	-1.0	-53.42	358.71	5.98	-47.44
O=C(CCCOC1=CC=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141431	1	43	-1.0	-53.41	358.77	6.01	-47.40
O=C(CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141432	0	46	-1.0	-47.71	387.71	4.25	-43.46
O=C(CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141432	1	46	-1.0	-47.69	387.65	4.22	-43.47
NS(=O)(=O)C1=CN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020141433	0	41	-1.0	-50.96	353.54	-1.69	-52.65
NS(=O)(=O)C1=CN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020141433	1	41	-1.0	-50.95	353.48	-1.72	-52.67
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C1=CC=C(F)C=C1	REAL300020141434	0	44	-1.0	-46.38	350.59	7.11	-39.27
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C1=CC=C(F)C=C1	REAL300020141434	1	44	-1.0	-46.33	350.64	7.14	-39.19
CC(C)CN1N=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020141435	0	47	-1.0	-46.65	374.01	5.51	-41.14
CC(C)CN1N=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020141435	1	47	-1.0	-46.67	373.95	5.49	-41.18
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C(C)(C)C)=N1	REAL300020141436	0	44	-1.0	-38.18	356.62	4.76	-33.42
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C(C)(C)C)=N1	REAL300020141436	1	44	-1.0	-38.19	356.68	4.79	-33.40
O=C(NC1CC1)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020141437	0	41	-1.0	-42.31	334.08	2.76	-39.55
O=C(NC1CC1)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141437	1	41	-1.0	-42.31	334.14	2.78	-39.53
CC1=NN=C2C=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN12	REAL300020141438	0	38	-1.0	-47.56	311.53	5.49	-42.07
CC1=NN=C2C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN12	REAL300020141438	1	38	-1.0	-47.57	311.58	5.51	-42.06
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300020141439	0	40	-1.0	-40.97	339.67	6.25	-34.72
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300020141439	1	40	-1.0	-41.01	339.73	6.28	-34.73
O=C(CSCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020141440	0	42	-1.0	-57.26	375.90	7.24	-50.02
O=C(CSCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020141440	1	42	-1.0	-57.26	375.95	7.27	-49.99
CC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020141441	0	43	-1.0	-51.60	349.75	7.53	-44.07
CC1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020141441	1	43	-1.0	-51.60	349.81	7.56	-44.04
CCCCN(CC)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141442	0	53	-1.0	-46.60	408.43	8.28	-38.32
CCCCN(CC)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141442	1	53	-1.0	-46.60	408.49	8.31	-38.29
O=C(C1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141443	0	39	-1.0	-61.30	330.88	5.13	-56.17
O=C(C1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141443	1	39	-1.0	-61.30	330.94	5.16	-56.14
NS(=O)(=O)C1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020141444	0	38	-1.0	-59.40	331.39	-2.27	-61.67
NS(=O)(=O)C1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020141444	1	38	-1.0	-59.42	331.33	-2.29	-61.71
CCOC(CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1)OCC	REAL300020141445	0	49	-1.0	-48.35	391.45	3.09	-45.26
CCOC(CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1)OCC	REAL300020141445	1	49	-1.0	-48.34	391.40	3.07	-45.27
O=C(CSCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141446	0	42	-1.0	-58.13	359.15	6.71	-51.42
O=C(CSCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141446	1	42	-1.0	-58.15	359.21	6.73	-51.42
CCN1C=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020141447	0	46	-1.0	-51.11	370.91	8.14	-42.97
CCN1C=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020141447	1	46	-1.0	-51.09	370.97	8.16	-42.93
O=C(C1=CC=CC=C1OC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141448	0	43	-1.0	-53.59	349.70	6.37	-47.22
O=C(C1=CC=CC=C1OC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141448	1	43	-1.0	-53.58	349.65	6.35	-47.23
O=C(C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141449	0	41	-1.0	-48.27	362.64	6.75	-41.52
O=C(C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141449	1	41	-1.0	-48.24	362.58	6.72	-41.52
O=C(C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141450	0	41	-1.0	-47.68	362.61	6.75	-40.93
O=C(C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141450	1	41	-1.0	-47.66	362.55	6.73	-40.93
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020141451	0	42	-1.0	-47.99	343.37	6.85	-41.14
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020141451	1	42	-1.0	-47.97	343.42	6.87	-41.10
O=C(CCC1=NC(C2=NNC=N2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141452	0	40	-1.0	-54.42	342.39	1.98	-52.44
O=C(CCC1=NC(C2=NNC=N2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141452	1	40	-1.0	-54.40	342.44	2.00	-52.40
CC(OCC1CCCCO1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141453	0	47	-1.0	-39.18	360.45	4.59	-34.59
CC(OCC1CCCCO1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141453	1	47	-1.0	-39.19	360.50	4.62	-34.57
O=C(CCCOC1=CC=CC(Cl)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141454	0	43	-1.0	-53.93	377.28	6.87	-47.06
O=C(CCCOC1=CC=CC(Cl)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141454	1	43	-1.0	-53.93	377.34	6.90	-47.03
CC(=O)CCC1=CC=C(OC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141455	0	51	-1.0	-53.80	405.68	7.86	-45.94
CC(=O)CCC1=CC=C(OC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141455	1	51	-1.0	-53.85	405.74	7.89	-45.96
CC1=CC=C(C2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)C(C)=C1	REAL300020141456	0	45	-1.0	-38.51	370.15	7.08	-31.43
CC1=CC=C(C2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)C(C)=C1	REAL300020141456	1	45	-1.0	-38.50	370.21	7.10	-31.40
CC1=C2OC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=CC=C1	REAL300020141457	0	39	-1.0	-41.99	319.68	5.71	-36.28
CC1=C2OC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=CC=C1	REAL300020141457	1	39	-1.0	-42.01	319.74	5.74	-36.27
CC(C)(C)C1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2)C=C1	REAL300020141458	0	55	-1.0	-46.76	402.99	8.84	-37.92
CC(C)(C)C1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2)C=C1	REAL300020141458	1	55	-1.0	-46.73	403.04	8.86	-37.87
CC(=O)C1=CC=CC(OC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141459	0	45	-1.0	-59.91	359.93	6.18	-53.73
CC(=O)C1=CC=CC(OC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141459	1	45	-1.0	-59.90	359.99	6.20	-53.70
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020141460	0	40	-1.0	-41.90	323.40	4.16	-37.74
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020141460	1	40	-1.0	-41.91	323.46	4.18	-37.73
N#CCCCS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141461	0	46	-1.0	-61.14	394.98	4.18	-56.96
N#CCCCS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141461	1	46	-1.0	-61.11	395.03	4.21	-56.90
N#CC1=CC=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020141462	0	45	-1.0	-50.15	368.89	6.03	-44.12
N#CC1=CC=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020141462	1	45	-1.0	-50.15	368.94	6.06	-44.09
CC1=CC=CC=C1C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141463	0	45	-1.0	-45.14	327.15	6.09	-39.05
CC1=CC=CC=C1C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141463	1	45	-1.0	-45.15	327.20	6.11	-39.04
COC1=CC=CC=C1C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141464	0	46	-1.0	-45.51	336.50	5.70	-39.81
COC1=CC=CC=C1C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141464	1	46	-1.0	-45.50	336.56	5.72	-39.78
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020141465	0	43	-1.0	-36.66	362.16	7.73	-28.93
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020141465	1	43	-1.0	-36.63	362.21	7.76	-28.87
O=C(CC1=CC(Cl)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141466	0	36	-1.0	-46.26	325.35	6.39	-39.87
O=C(CC1=CC(Cl)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141466	1	36	-1.0	-46.22	325.41	6.42	-39.80
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020141467	0	34	-1.0	-46.71	297.96	0.30	-46.41
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020141467	1	34	-1.0	-46.73	298.02	0.33	-46.40
NS(=O)(=O)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141468	0	41	-1.0	-57.08	348.20	0.07	-57.01
NS(=O)(=O)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141468	1	41	-1.0	-57.09	348.26	0.10	-56.99
CN(C)C1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141469	0	40	-1.0	-42.22	317.64	3.89	-38.33
CN(C)C1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141469	1	40	-1.0	-42.23	317.70	3.92	-38.31
CC1=NN(C)C(C)=C1C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141470	0	45	-1.0	-39.78	341.98	4.40	-35.38
CC1=NN(C)C(C)=C1C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141470	1	45	-1.0	-39.79	342.04	4.43	-35.36
COC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141471	0	45	-1.0	-45.67	365.62	5.40	-40.27
COC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141471	1	45	-1.0	-45.68	365.68	5.42	-40.26
COC1=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020141472	0	43	-1.0	-55.07	359.11	6.11	-48.96
COC1=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020141472	1	43	-1.0	-55.09	359.17	6.13	-48.96
CC(C)C1=CC=C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141473	0	49	-1.0	-45.85	384.73	7.00	-38.85
CC(C)C1=CC=C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141473	1	49	-1.0	-45.86	384.79	7.02	-38.84
O=C(C1=CC=CC2=C1OCCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141474	0	39	-1.0	-50.68	315.46	4.02	-46.66
O=C(C1=CC=CC2=C1OCCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141474	1	39	-1.0	-50.67	315.52	4.05	-46.62
CC1=CC=C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020141475	0	43	-1.0	-45.23	366.39	6.42	-38.81
CC1=CC=C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020141475	1	43	-1.0	-45.25	366.45	6.45	-38.80
O=C(C1=CC(Br)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141476	0	30	-1.0	-35.58	281.63	4.04	-31.54
O=C(C1=CC(Br)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141476	1	30	-1.0	-35.58	281.69	4.07	-31.51
O=C(CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141477	0	47	-1.0	-48.97	397.80	3.25	-45.72
O=C(CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141477	1	47	-1.0	-48.96	397.85	3.28	-45.68
CC(C)(C)CC(=O)N1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141478	0	52	-1.0	-57.05	385.16	6.39	-50.66
CC(C)(C)CC(=O)N1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141478	1	52	-1.0	-57.06	385.22	6.42	-50.64
COC1=CC=C(C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NO2)C(F)=C1	REAL300020141479	0	43	-1.0	-43.65	363.22	5.49	-38.16
COC1=CC=C(C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NO2)C(F)=C1	REAL300020141479	1	43	-1.0	-43.68	363.16	5.47	-38.21
CS(=O)(=O)NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020141480	0	41	-1.0	-55.11	354.96	1.63	-53.48
CS(=O)(=O)NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020141480	1	41	-1.0	-55.10	355.01	1.65	-53.45
O=C(C1=CC=C(N2CCOCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141481	0	46	-1.0	-46.51	354.31	3.26	-43.25
O=C(C1=CC=C(N2CCOCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141481	1	46	-1.0	-46.53	354.37	3.29	-43.24
CN1C=CN=C1SCC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141482	0	47	-1.0	-51.98	395.79	7.96	-44.02
CN1C=CN=C1SCC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141482	1	47	-1.0	-51.97	395.73	7.94	-44.03
COC1=CC=C(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141483	0	46	-1.0	-50.18	367.07	6.33	-43.85
COC1=CC=C(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141483	1	46	-1.0	-50.21	367.13	6.35	-43.86
CCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1Cl	REAL300020141484	0	45	-1.0	-52.90	379.29	7.75	-45.15
CCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1Cl	REAL300020141484	1	45	-1.0	-52.89	379.34	7.78	-45.11
O=C(CCC1=CC=C(Br)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141485	0	39	-1.0	-45.94	342.82	6.90	-39.04
O=C(CCC1=CC=C(Br)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141485	1	39	-1.0	-45.94	342.88	6.93	-39.01
CCN(CC1=CC=CC=C1)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141486	0	54	-1.0	-47.72	420.32	9.56	-38.16
CCN(CC1=CC=CC=C1)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141486	1	54	-1.0	-47.70	420.38	9.59	-38.11
CC(CC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141487	0	42	-1.0	-36.65	337.87	6.64	-30.01
CC(CC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141487	1	42	-1.0	-36.66	337.93	6.67	-29.99
CC(CC1=CC=CC(F)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141488	0	42	-1.0	-45.70	337.88	6.64	-39.06
CC(CC1=CC=CC(F)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141488	1	42	-1.0	-45.72	337.94	6.67	-39.05
C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020141489	0	41	-1.0	-50.97	354.28	3.25	-47.72
C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020141489	1	41	-1.0	-51.00	354.34	3.28	-47.72
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCCC1=O	REAL300020141490	0	46	-1.0	-58.48	343.57	6.28	-52.20
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCCC1=O	REAL300020141490	1	46	-1.0	-58.52	343.62	6.30	-52.22
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)OC1(C)C	REAL300020141491	0	40	-1.0	-48.85	321.79	4.45	-44.40
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)OC1(C)C	REAL300020141491	1	40	-1.0	-48.80	321.85	4.48	-44.32
COC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141492	0	37	-1.0	-39.02	316.24	4.49	-34.53
COC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141492	1	37	-1.0	-38.99	316.30	4.51	-34.48
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141493	0	38	-1.0	-44.68	316.24	5.74	-38.94
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141493	1	38	-1.0	-44.71	316.30	5.76	-38.95
O=C(CCCCC1SCC2NC(=O)NC12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141494	0	50	-1.0	-58.61	396.94	3.05	-55.56
O=C(CCCCC1SCC2NC(=O)NC12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141494	1	50	-1.0	-58.61	397.00	3.08	-55.53
CCN(C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300020141495	0	50	-1.0	-46.90	375.19	6.99	-39.91
CCN(C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020141495	1	50	-1.0	-46.87	375.25	7.02	-39.85
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141496	0	43	-2.0	-96.50	361.52	2.24	-94.26
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141496	1	43	-2.0	-96.52	361.57	2.26	-94.26
O=C(C1=CC=NC(N2C=NC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141497	0	38	-1.0	-51.99	320.33	6.30	-45.69
O=C(C1=CC=NC(N2C=NC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141497	1	38	-1.0	-51.98	320.28	6.28	-45.70
O=C(C1=CC=CC=C1N1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141498	0	46	-1.0	-48.49	352.00	3.51	-44.98
O=C(C1=CC=CC=C1N1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141498	1	46	-1.0	-48.46	352.06	3.54	-44.92
O=C(C1=CC=CN=C1N1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141499	0	45	-1.0	-48.76	354.76	3.06	-45.70
O=C(C1=CC=CN=C1N1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141499	1	45	-1.0	-48.73	354.70	3.03	-45.70
O=C(CC1C(=O)NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141500	0	41	-1.0	-55.84	331.65	5.17	-50.67
O=C(CC1C(=O)NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141500	1	41	-1.0	-55.79	331.71	5.20	-50.59
O=C(C1=NN(C2=CC=CC=C2Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141501	0	40	-1.0	-49.93	336.13	6.62	-43.31
O=C(C1=NN(C2=CC=CC=C2Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141501	1	40	-1.0	-49.91	336.07	6.59	-43.32
CCC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020141502	0	38	-1.0	-38.05	317.49	3.69	-34.36
CCC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020141502	1	38	-1.0	-38.00	317.54	3.71	-34.29
O=C(C1=CN=C(C2=CC=CC=C2Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141503	0	39	-1.0	-40.04	347.12	6.29	-33.75
O=C(C1=CN=C(C2=CC=CC=C2Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141503	1	39	-1.0	-40.03	347.06	6.27	-33.76
COC1=CC=C(Cl)C=C1NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141504	0	42	-1.0	-46.89	352.70	3.62	-43.27
COC1=CC=C(Cl)C=C1NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141504	1	42	-1.0	-46.89	352.76	3.64	-43.25
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C1=CC=CC=C1	REAL300020141505	0	47	-1.0	-48.51	378.06	7.48	-41.03
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C1=CC=CC=C1	REAL300020141505	1	47	-1.0	-48.52	378.12	7.51	-41.01
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020141506	0	48	0.0	-47.44	367.22	6.25	-41.19
CCN(CC)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020141506	1	47	-1.0	-43.58	364.39	3.98	-39.60
CCN(CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020141506	1	47	-1.0	-43.59	364.45	4.00	-39.59
CN(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020141507	0	41	-1.0	-43.62	329.61	3.91	-39.71
CN(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020141507	1	41	-1.0	-43.62	329.67	3.94	-39.68
O=C(CCCOC1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141508	0	43	-1.0	-52.78	362.07	6.39	-46.39
O=C(CCCOC1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141508	1	43	-1.0	-52.74	362.13	6.42	-46.32
CC(C)C1=NC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020141509	0	40	-1.0	-42.35	338.26	4.81	-37.54
CC(C)C1=NC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020141509	1	40	-1.0	-42.37	338.32	4.84	-37.53
O=C(C1=CC=C(C2=CC=CO2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141510	0	40	-1.0	-58.20	338.35	3.25	-54.95
O=C(C1=CC=C(C2=CC=CO2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141510	1	40	-1.0	-58.15	338.29	3.22	-54.93
O=C(CCCOCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141511	0	46	-1.0	-50.82	371.59	6.30	-44.52
O=C(CCCOCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141511	1	46	-1.0	-50.84	371.65	6.33	-44.51
O=C(C1=CC=C(S(=O)(=O)C2CCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141512	0	49	-1.0	-51.08	394.01	4.78	-46.30
O=C(C1=CC=C(S(=O)(=O)C2CCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141512	1	49	-1.0	-51.08	394.06	4.81	-46.27
CCCN(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141513	0	47	-1.0	-46.53	365.13	6.55	-39.98
CCCN(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141513	1	47	-1.0	-46.57	365.18	6.58	-39.99
CS(=O)(=O)C1=CC=C(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141514	0	49	-1.0	-58.29	406.75	3.37	-54.92
CS(=O)(=O)C1=CC=C(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141514	1	49	-1.0	-58.28	406.81	3.39	-54.89
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141515	0	38	-1.0	-58.84	326.74	5.93	-52.91
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141515	1	38	-1.0	-58.84	326.80	5.96	-52.88
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141516	0	54	0.0	-76.67	404.86	8.39	-68.28
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141516	1	54	0.0	-77.36	404.92	8.41	-68.95
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141516	1	54	0.0	-76.65	404.91	8.42	-68.23
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141516	1	54	0.0	-77.38	404.97	8.44	-68.94
CCCN(CC)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020141517	0	49	-1.0	-47.24	383.46	6.93	-40.31
CCCN(CC)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020141517	1	49	-1.0	-47.24	383.40	6.91	-40.33
COC1=CC=CC2=C1OCC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020141518	0	43	-1.0	-46.70	349.30	4.91	-41.79
COC1=CC=CC2=C1OCC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020141518	1	43	-1.0	-46.70	349.36	4.94	-41.76
CC1=NOC(Cl)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141519	0	35	-1.0	-48.60	307.42	4.02	-44.58
CC1=NOC(Cl)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141519	1	35	-1.0	-48.57	307.48	4.04	-44.53
O=C(C1=C(C2=CC=C(F)C=C2)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141520	0	40	-1.0	-37.23	341.44	7.27	-29.96
O=C(C1=C(C2=CC=C(F)C=C2)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141520	1	40	-1.0	-37.20	341.50	7.29	-29.91
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141521	0	49	-1.0	-47.48	390.47	6.95	-40.53
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141521	1	49	-1.0	-47.46	390.53	6.97	-40.49
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141522	0	50	-1.0	-50.55	398.25	9.33	-41.22
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141522	1	50	-1.0	-50.55	398.31	9.36	-41.19
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020141523	0	35	-1.0	-45.27	315.35	-1.61	-46.88
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020141523	1	35	-1.0	-45.24	315.40	-1.58	-46.82
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141524	0	42	-1.0	-53.68	355.93	7.52	-46.16
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141524	1	42	-1.0	-53.69	355.99	7.55	-46.14
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020141525	0	48	-1.0	-45.59	349.36	6.83	-38.76
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020141525	1	48	-1.0	-45.58	349.41	6.86	-38.72
CC1=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020141526	0	50	-1.0	-53.36	404.07	4.88	-48.48
CC1=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020141526	1	50	-1.0	-53.31	404.01	4.86	-48.45
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(S(N)(=O)=O)S1	REAL300020141527	0	38	-1.0	-50.01	337.64	-0.82	-50.83
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(S(N)(=O)=O)S1	REAL300020141527	1	38	-1.0	-50.01	337.70	-0.80	-50.81
NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=N1	REAL300020141528	0	34	-1.0	-43.02	295.96	1.83	-41.19
NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=N1	REAL300020141528	1	34	-1.0	-43.00	295.90	1.80	-41.20
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=S)NN=C1C1=CC=CS1	REAL300020141529	0	43	-1.0	-56.23	363.03	6.02	-50.21
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=S)NN=C1C1=CC=CS1	REAL300020141529	1	43	-1.0	-56.20	363.09	6.04	-50.16
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020141529	1	42	-2.0	-108.44	361.20	6.00	-102.44
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020141529	1	42	-2.0	-108.41	361.26	6.03	-102.38
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020141530	0	37	-1.0	-37.95	315.42	4.27	-33.68
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020141530	1	37	-1.0	-38.00	315.47	4.30	-33.70
O=C(C1=CC=C2OCOC2=C1)N1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141531	0	50	-1.0	-59.32	390.22	4.85	-54.47
O=C(C1=CC=C2OCOC2=C1)N1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141531	1	50	-1.0	-59.32	390.28	4.87	-54.45
COC1=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2)=CC=C1C	REAL300020141532	0	50	-1.0	-48.61	379.17	6.66	-41.95
COC1=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2)=CC=C1C	REAL300020141532	1	50	-1.0	-48.62	379.23	6.68	-41.94
O=C(C1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141533	0	45	-1.0	-52.00	384.14	2.33	-49.67
O=C(C1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141533	1	45	-1.0	-52.01	384.20	2.35	-49.66
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=C(Br)C=N1	REAL300020141534	0	39	-1.0	-46.18	320.57	4.76	-41.42
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=C(Br)C=N1	REAL300020141534	1	39	-1.0	-46.19	320.52	4.74	-41.45
CC(C)(C)OC(=O)N1CSCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141535	0	48	-1.0	-51.57	380.39	4.63	-46.94
CC(C)(C)OC(=O)N1CSCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141535	1	48	-1.0	-51.63	380.45	4.65	-46.98
O=C(C1=CC2=C(Br)C=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141536	0	37	-1.0	-46.65	321.85	5.49	-41.16
O=C(C1=CC2=C(Br)C=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141536	1	37	-1.0	-46.69	321.91	5.52	-41.17
O=C(CC1=CNC2=CC(F)=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141537	0	40	-1.0	-50.51	333.02	5.58	-44.93
O=C(CC1=CNC2=CC(F)=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141537	1	40	-1.0	-50.49	333.08	5.60	-44.89
COC1=CC(N2C=CC=C2)=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141538	0	45	-1.0	-40.32	377.36	7.81	-32.51
COC1=CC(N2C=CC=C2)=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141538	1	45	-1.0	-40.34	377.42	7.83	-32.51
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020141539	0	39	-1.0	-45.93	325.94	5.18	-40.75
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020141539	1	39	-1.0	-45.93	326.00	5.21	-40.72
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141540	0	52	0.0	-76.96	390.51	8.24	-68.72
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141540	1	52	0.0	-76.92	390.57	8.27	-68.65
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(C2=CC=CC=C2)=N1	REAL300020141541	0	43	-1.0	-45.57	349.55	5.96	-39.61
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(C2=CC=CC=C2)=N1	REAL300020141541	1	43	-1.0	-45.56	349.61	5.98	-39.58
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020141542	0	36	-1.0	-45.40	301.73	-0.48	-45.88
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020141542	1	36	-1.0	-45.40	301.67	-0.51	-45.91
CN(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141543	0	44	-1.0	-46.67	334.09	3.60	-43.07
CN(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141543	1	44	-1.0	-46.66	334.14	3.63	-43.03
C[NH+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141543	1	45	0.0	-60.04	338.42	6.37	-53.67
O=C(C(OC1=CC=C(Cl)C=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141544	0	47	-1.0	-49.54	391.56	9.10	-40.44
O=C(C(OC1=CC=C(Cl)C=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141544	1	47	-1.0	-49.55	391.61	9.13	-40.42
CC(OC1=CC=C(F)C(F)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141545	0	40	-1.0	-47.80	330.10	5.84	-41.96
CC(OC1=CC=C(F)C(F)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141545	1	40	-1.0	-47.79	330.16	5.86	-41.93
O=C(C1=CC=CN1CC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141546	0	43	-1.0	-49.15	346.06	5.98	-43.17
O=C(C1=CC=CN1CC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141546	1	43	-1.0	-49.13	346.12	6.00	-43.13
O=C(CNS(=O)(=O)C1=CC=C2COCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141547	0	46	-1.0	-53.02	384.77	0.41	-52.61
O=C(CNS(=O)(=O)C1=CC=C2COCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141547	1	46	-1.0	-53.02	384.83	0.44	-52.58
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300020141548	0	54	0.0	-76.35	387.82	7.69	-68.66
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300020141548	1	54	0.0	-76.30	390.09	7.85	-68.45
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020141548	1	54	0.0	-76.34	387.87	7.71	-68.63
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020141548	1	54	0.0	-76.30	390.15	7.88	-68.42
O=C(C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141549	0	41	-1.0	-42.74	360.24	4.99	-37.75
O=C(C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141549	1	41	-1.0	-42.74	360.18	4.96	-37.78
CC1=CC=C(I)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141550	0	36	-1.0	-45.99	313.66	6.11	-39.88
CC1=CC=C(I)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141550	1	36	-1.0	-46.00	313.72	6.14	-39.86
CCCNC(=O)NC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141551	0	51	-1.0	-53.35	408.89	4.56	-48.79
CCCNC(=O)NC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141551	1	51	-1.0	-53.36	408.95	4.58	-48.78
CC1CCC(NS(=O)(=O)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020141552	0	50	-1.0	-57.27	387.09	2.06	-55.21
CC1CCC(NS(=O)(=O)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141552	1	50	-1.0	-57.32	387.15	2.09	-55.23
COCCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020141553	0	46	-1.0	-38.53	374.59	2.00	-36.53
COCCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020141553	1	46	-1.0	-38.55	374.53	1.98	-36.57
O=C(CC1CCCC1)NC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020141554	0	59	-1.0	-47.71	434.37	7.05	-40.66
O=C(CC1CCCC1)NC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141554	1	59	-1.0	-47.71	434.43	7.08	-40.63
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC2=CC=CC=C21	REAL300020141555	0	46	-1.0	-48.51	336.45	6.70	-41.81
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC2=CC=CC=C21	REAL300020141555	1	46	-1.0	-48.50	336.51	6.72	-41.78
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141556	0	43	-1.0	-39.17	365.99	7.82	-31.35
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141556	1	43	-1.0	-39.21	366.04	7.84	-31.37
O=C(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141557	0	45	-1.0	-53.80	384.42	5.11	-48.69
O=C(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141557	1	45	-1.0	-53.80	384.36	5.08	-48.72
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141558	0	42	-1.0	-45.76	346.67	5.04	-40.72
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141558	1	42	-1.0	-45.74	346.61	5.02	-40.72
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141559	0	42	-1.0	-46.45	351.43	5.80	-40.65
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141559	1	42	-1.0	-46.42	351.37	5.77	-40.65
O=C(C1=CSC(CC2=CC=C(F)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141560	0	42	-1.0	-43.34	364.21	6.83	-36.51
O=C(C1=CSC(CC2=CC=C(F)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141560	1	42	-1.0	-43.36	364.27	6.86	-36.50
CCCOC1=CC=C(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020141561	0	49	-1.0	-45.62	407.20	7.12	-38.50
CCCOC1=CC=C(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020141561	1	49	-1.0	-45.56	407.14	7.09	-38.47
O=C(CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141562	0	47	-1.0	-49.56	395.99	2.60	-46.96
O=C(CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141562	1	47	-1.0	-49.55	396.04	2.62	-46.93
CC1=CC=C2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CNC2=C1	REAL300020141563	0	43	-1.0	-51.15	347.99	6.16	-44.99
CC1=CC=C2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CNC2=C1	REAL300020141563	1	43	-1.0	-51.13	348.04	6.19	-44.94
O=C(C1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCCC1	REAL300020141564	0	53	-1.0	-55.73	391.08	5.92	-49.81
O=C(C1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCCC1	REAL300020141564	1	53	-1.0	-55.77	391.14	5.94	-49.83
CC1=NC(CN2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=CS1	REAL300020141565	0	50	-1.0	-50.85	395.83	3.78	-47.07
CC1=NC(CN2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=CS1	REAL300020141565	1	50	-1.0	-50.89	395.89	3.81	-47.08
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=CS1	REAL300020141565	1	51	0.0	-75.38	397.77	6.00	-69.38
O=C(CCN1C=CNC(=O)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141566	0	39	-1.0	-58.70	325.57	2.50	-56.20
O=C(CCN1C=CNC(=O)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141566	1	39	-1.0	-58.69	325.63	2.53	-56.16
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141566	1	38	-2.0	-92.80	322.17	1.37	-91.43
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141566	1	38	-2.0	-92.83	322.23	1.39	-91.44
CCC(C)C(=O)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020141567	0	52	-1.0	-53.64	385.00	5.42	-48.22
CCC(C)C(=O)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020141567	1	52	-1.0	-53.67	385.06	5.45	-48.22
CS(=O)(=O)NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020141568	0	41	-1.0	-55.47	345.94	1.14	-54.33
CS(=O)(=O)NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020141568	1	41	-1.0	-55.51	346.00	1.17	-54.34
O=C(CCNC(=O)C1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141569	0	49	-1.0	-55.81	376.94	4.14	-51.67
O=C(CCNC(=O)C1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141569	1	49	-1.0	-55.82	377.00	4.17	-51.65
CS(=O)(=O)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020141570	0	39	-1.0	-50.62	336.60	1.00	-49.62
CS(=O)(=O)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020141570	1	39	-1.0	-50.59	336.65	1.03	-49.56
O=C(NC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1)C1CCCC1	REAL300020141571	0	56	-1.0	-49.36	414.81	6.33	-43.03
O=C(NC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1)C1CCCC1	REAL300020141571	1	56	-1.0	-49.35	414.87	6.35	-43.00
CCC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020141572	0	38	-1.0	-47.55	324.43	3.31	-44.24
CCC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020141572	1	38	-1.0	-47.59	324.48	3.34	-44.25
CCC1=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1	REAL300020141572	1	38	-1.0	-43.21	323.39	3.61	-39.60
CCC1=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1	REAL300020141572	1	38	-1.0	-43.24	323.45	3.64	-39.60
O=C(C1=CC=C(N2C=NN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141573	0	39	-1.0	-51.46	321.35	7.43	-44.03
O=C(C1=CC=C(N2C=NN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141573	1	39	-1.0	-51.44	321.29	7.40	-44.04
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141574	0	38	-1.0	-43.58	317.12	5.70	-37.88
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141574	1	38	-1.0	-43.59	317.17	5.73	-37.86
NS(=O)(=O)C1=CC=C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141575	0	45	-1.0	-52.11	378.75	0.02	-52.09
NS(=O)(=O)C1=CC=C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141575	1	45	-1.0	-52.12	378.81	0.05	-52.07
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=C(Cl)C=CC=C1Cl	REAL300020141576	0	39	-1.0	-44.03	326.66	6.42	-37.61
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=C(Cl)C=CC=C1Cl	REAL300020141576	1	39	-1.0	-44.04	326.71	6.44	-37.60
CC1=CC=CC=C1C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020141577	0	52	-1.0	-45.46	363.31	7.78	-37.68
CC1=CC=CC=C1C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020141577	1	52	-1.0	-45.46	363.36	7.81	-37.65
CC1=NC(S(=O)(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1C	REAL300020141578	0	44	-1.0	-54.72	372.33	0.00	-54.72
CC1=NC(S(=O)(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1C	REAL300020141578	1	44	-1.0	-54.69	372.39	0.02	-54.67
CC1=NC(S(=O)(=O)NCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1C	REAL300020141579	0	47	-1.0	-56.73	394.32	0.68	-56.05
CC1=NC(S(=O)(=O)NCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1C	REAL300020141579	1	47	-1.0	-56.75	394.38	0.70	-56.05
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141580	0	50	-1.0	-43.14	388.02	5.83	-37.31
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141580	1	50	-1.0	-43.12	388.08	5.85	-37.27
CCN(CC)C(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141581	0	48	-1.0	-58.83	375.34	5.45	-53.38
CCN(CC)C(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141581	1	48	-1.0	-58.85	375.40	5.47	-53.38
COCCS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141582	0	46	-1.0	-51.63	386.30	1.95	-49.68
COCCS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141582	1	46	-1.0	-51.67	386.35	1.98	-49.69
O=C(CC1CCCC1)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141583	0	46	-1.0	-43.90	356.85	3.53	-40.37
O=C(CC1CCCC1)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141583	1	46	-1.0	-44.00	356.91	3.55	-40.45
CC(C)COC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020141584	0	53	-1.0	-51.88	407.04	5.93	-45.95
CC(C)COC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141584	1	53	-1.0	-51.87	407.10	5.96	-45.91
CC(=O)N(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC1=CC=CC=C1	REAL300020141585	0	49	-1.0	-48.04	391.41	6.85	-41.19
CC(=O)N(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020141585	1	49	-1.0	-48.08	391.47	6.87	-41.21
CC(=O)C1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020141586	0	47	-1.0	-47.53	379.61	6.15	-41.38
CC(=O)C1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020141586	1	47	-1.0	-47.58	379.67	6.17	-41.41
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2)CCCCC1	REAL300020141587	0	49	-1.0	-46.17	371.19	8.03	-38.14
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2)CCCCC1	REAL300020141587	1	49	-1.0	-46.20	371.25	8.05	-38.15
O=C(C1=CC=CC=C1OCC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141588	0	44	-1.0	-52.06	350.57	7.13	-44.93
O=C(C1=CC=CC=C1OCC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141588	1	44	-1.0	-52.07	350.63	7.15	-44.92
CC1=CC=CC(N2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=N2)=C1	REAL300020141589	0	42	-1.0	-47.49	345.55	5.38	-42.11
CC1=CC=CC(N2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=N2)=C1	REAL300020141589	1	42	-1.0	-47.47	345.49	5.36	-42.11
O=C(C1=CSC(C2=C(F)C=CC=C2F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141590	0	39	-1.0	-47.98	340.06	6.18	-41.80
O=C(C1=CSC(C2=C(F)C=CC=C2F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141590	1	39	-1.0	-48.06	340.00	6.15	-41.91
CC(C)(C)C1=NOC(C2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020141591	0	50	-1.0	-57.07	400.02	6.30	-50.77
CC(C)(C)C1=NOC(C2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020141591	1	50	-1.0	-57.10	399.96	6.28	-50.82
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020141592	0	45	-2.0	-116.10	379.60	2.10	-114.00
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020141592	1	45	-2.0	-116.08	379.66	2.12	-113.96
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC(C2=NC=CC=N2)=N1	REAL300020141592	1	46	-1.0	-60.61	381.97	3.27	-57.34
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC(C2=NC=CC=N2)=N1	REAL300020141592	1	46	-1.0	-60.60	382.03	3.30	-57.30
CCC(C)N1N=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(C)N=C21	REAL300020141593	0	50	-1.0	-47.65	395.34	6.31	-41.34
CCC(C)N1N=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(C)N=C21	REAL300020141593	1	50	-1.0	-47.65	395.39	6.34	-41.31
O=C(CC1=CC=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141594	0	36	-1.0	-47.64	315.96	6.05	-41.59
O=C(CC1=CC=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141594	1	36	-1.0	-47.62	316.02	6.07	-41.55
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CO2)O1	REAL300020141595	0	42	-1.0	-56.50	353.51	2.55	-53.95
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CO2)O1	REAL300020141595	1	42	-1.0	-56.50	353.45	2.53	-53.97
COC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2)C=C1	REAL300020141596	0	47	-1.0	-48.72	359.09	5.90	-42.82
COC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2)C=C1	REAL300020141596	1	47	-1.0	-48.68	359.15	5.93	-42.75
O=C(CCC1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141597	0	39	-1.0	-45.54	348.02	7.23	-38.31
O=C(CCC1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141597	1	39	-1.0	-45.57	348.08	7.25	-38.32
O=C(C1=CC=C(OCC2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141598	0	46	-1.0	-45.84	378.69	5.17	-40.67
O=C(C1=CC=C(OCC2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141598	1	46	-1.0	-45.81	378.64	5.14	-40.67
CCC(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141599	0	56	-1.0	-58.97	419.79	8.86	-50.11
CCC(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141599	1	56	-1.0	-59.08	419.85	8.89	-50.19
O=C(C1=CN=C(C2=NC=CC=N2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141600	0	37	-1.0	-44.57	325.62	2.67	-41.90
O=C(C1=CN=C(C2=NC=CC=N2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141600	1	37	-1.0	-44.59	325.67	2.69	-41.90
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1C(C)C	REAL300020141601	0	51	-1.0	-47.51	404.10	9.05	-38.46
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1C(C)C	REAL300020141601	1	51	-1.0	-47.43	404.15	9.08	-38.35
CCN1C=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141602	0	37	-1.0	-43.93	315.59	5.38	-38.55
CCN1C=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141602	1	37	-1.0	-43.90	315.64	5.40	-38.50
O=C(C=CC1=CC=C(OC2=CC=CN=C2)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141603	0	47	-1.0	-49.95	395.16	7.17	-42.78
O=C(C=CC1=CC=C(OC2=CC=CN=C2)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141603	1	47	-1.0	-49.94	395.11	7.14	-42.80
CC1=CC=C(CCC(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141604	0	49	-1.0	-44.87	396.44	5.37	-39.50
CC1=CC=C(CCC(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141604	1	49	-1.0	-44.86	396.50	5.40	-39.46
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=O)NC2(CCCC2)C1=O	REAL300020141605	0	48	-1.0	-43.33	371.64	3.61	-39.72
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=O)NC2(CCCC2)C1=O	REAL300020141605	1	48	-1.0	-43.32	371.70	3.63	-39.69
O=C(C1=CC=NC(OC2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141606	0	43	-1.0	-49.27	354.28	4.76	-44.51
O=C(C1=CC=NC(OC2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141606	1	43	-1.0	-49.30	354.22	4.73	-44.57
CC(C)OC1=CC=C(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020141607	0	49	-1.0	-46.56	403.40	6.92	-39.64
CC(C)OC1=CC=C(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020141607	1	49	-1.0	-46.59	403.34	6.90	-39.69
N#CC1=CC=CC(OCC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)OC=C2)=C1	REAL300020141608	0	45	-1.0	-45.16	380.78	6.51	-38.65
N#CC1=CC=CC(OCC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)OC=C2)=C1	REAL300020141608	1	45	-1.0	-45.20	380.84	6.53	-38.67
CCN1N=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020141609	0	42	-1.0	-46.38	340.70	4.35	-42.03
CCN1N=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020141609	1	42	-1.0	-46.40	340.76	4.38	-42.02
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(C2=CSC=C2)O1	REAL300020141610	0	42	-1.0	-53.78	362.74	3.51	-50.27
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(C2=CSC=C2)O1	REAL300020141610	1	42	-1.0	-53.80	362.68	3.49	-50.31
O=C(CCC1=CC=CC(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141611	0	39	-1.0	-48.35	327.93	6.34	-42.01
O=C(CCC1=CC=CC(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141611	1	39	-1.0	-48.35	327.99	6.37	-41.98
O=C(C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141612	0	44	-1.0	-46.33	376.03	7.81	-38.52
O=C(C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141612	1	44	-1.0	-46.34	376.09	7.84	-38.50
COC1=CC=CC=C1C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020141613	0	47	-1.0	-50.05	357.24	5.95	-44.10
COC1=CC=CC=C1C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020141613	1	47	-1.0	-50.04	357.29	5.97	-44.07
CC1=NN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1[N+](=O)[O-]	REAL300020141614	0	44	-1.0	-46.21	370.38	5.23	-40.98
CC1=NN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1[N+](=O)[O-]	REAL300020141614	1	44	-1.0	-46.23	370.43	5.26	-40.97
COC1=CC=CC=C1C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020141615	0	44	-1.0	-49.55	346.79	5.71	-43.84
COC1=CC=CC=C1C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141615	1	44	-1.0	-49.51	346.85	5.74	-43.77
O=C(C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141616	0	43	-1.0	-50.72	362.40	6.27	-44.45
O=C(C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141616	1	43	-1.0	-50.75	362.34	6.25	-44.50
O=C(C1=CC=C(C(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141617	0	36	-1.0	-46.22	302.65	5.31	-40.91
O=C(C1=CC=C(C(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141617	1	36	-1.0	-46.26	302.71	5.34	-40.92
O=C(C(OC1CCCC1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141618	0	50	-1.0	-49.78	386.37	8.17	-41.61
O=C(C(OC1CCCC1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141618	1	50	-1.0	-49.75	386.42	8.20	-41.55
CC(C)(C)C1=CC=C(CCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141619	0	57	-1.0	-46.62	435.27	10.13	-36.49
CC(C)(C)C1=CC=C(CCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141619	1	57	-1.0	-46.64	435.33	10.16	-36.48
CC1=CC=CC=C1C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020141620	0	43	-1.0	-46.08	334.69	6.77	-39.31
CC1=CC=CC=C1C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141620	1	43	-1.0	-46.08	334.75	6.80	-39.28
CCCCCCCCCC=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141621	0	54	-1.0	-45.97	418.70	9.26	-36.71
CCCCCCCCCC=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141621	1	54	-1.0	-45.99	418.75	9.29	-36.70
CN1C=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020141622	0	40	-1.0	-43.74	324.89	6.20	-37.54
CN1C=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020141622	1	40	-1.0	-43.74	324.95	6.23	-37.51
CC(C)(C)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020141623	0	41	-1.0	-45.35	336.49	4.83	-40.52
CC(C)(C)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020141623	1	41	-1.0	-45.37	336.43	4.80	-40.57
CC(C)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020141624	0	38	-1.0	-42.01	317.54	4.30	-37.71
CC(C)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020141624	1	38	-1.0	-42.03	317.59	4.33	-37.70
O=C(C1=CSC(C2=CC=C3OCOC3=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141625	0	42	-1.0	-46.48	360.56	4.75	-41.73
O=C(C1=CSC(C2=CC=C3OCOC3=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141625	1	42	-1.0	-46.46	360.50	4.72	-41.74
O=C(C1=CC=C(N2CCCC2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141626	0	43	-1.0	-45.60	338.86	3.59	-42.01
O=C(C1=CC=C(N2CCCC2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141626	1	43	-1.0	-45.63	338.80	3.56	-42.07
COC1=CC=C(CN2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020141627	0	51	-1.0	-51.35	407.80	5.58	-45.77
COC1=CC=C(CN2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020141627	1	51	-1.0	-51.34	407.86	5.61	-45.73
O=C(CNC1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141628	0	38	-1.0	-46.66	324.32	4.22	-42.44
O=C(CNC1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141628	1	38	-1.0	-46.63	324.37	4.24	-42.39
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=C([N+](=O)[O-])C=N1	REAL300020141629	0	41	-1.0	-48.17	328.06	4.84	-43.33
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=C([N+](=O)[O-])C=N1	REAL300020141629	1	41	-1.0	-48.17	328.00	4.82	-43.35
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2NN=CC2=C1	REAL300020141630	0	39	-1.0	-49.56	319.19	3.80	-45.76
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2NN=CC2=C1	REAL300020141630	1	39	-1.0	-49.54	319.25	3.82	-45.72
CC1=CC2=CNN=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141630	1	39	-1.0	-58.64	319.16	3.89	-54.75
CC1=CC2=CNN=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141630	1	39	-1.0	-58.63	319.22	3.92	-54.71
CCC(CC)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020141631	0	48	-1.0	-47.16	362.68	7.24	-39.92
CCC(CC)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020141631	1	48	-1.0	-47.19	362.74	7.27	-39.92
CC(NC(=O)C1=C2C=CC=CC2=NN1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141632	0	46	-1.0	-46.84	374.11	2.54	-44.30
CC(NC(=O)C1=C2C=CC=CC2=NN1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141632	1	46	-1.0	-46.76	374.17	2.56	-44.20
O=C(C1CCCN1S(=O)(=O)C1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141633	0	45	-1.0	-62.60	382.15	3.53	-59.07
O=C(C1CCCN1S(=O)(=O)C1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141633	1	45	-1.0	-62.57	382.21	3.55	-59.02
COC(=O)CSCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141634	0	39	-1.0	-47.39	334.68	4.63	-42.76
COC(=O)CSCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141634	1	39	-1.0	-47.42	334.73	4.65	-42.77
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)NCC#N	REAL300020141635	0	45	-1.0	-56.46	380.03	1.90	-54.56
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)NCC#N	REAL300020141635	1	45	-1.0	-56.43	380.09	1.93	-54.50
O=C(CCNC(=O)C1=C2C=CC=CC2=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141636	0	46	-1.0	-58.39	378.20	2.59	-55.80
O=C(CCNC(=O)C1=C2C=CC=CC2=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141636	1	46	-1.0	-58.40	378.26	2.61	-55.79
O=C(CNS(=O)(=O)C1=CC=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141637	0	38	-1.0	-48.94	357.73	0.72	-48.22
O=C(CNS(=O)(=O)C1=CC=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141637	1	38	-1.0	-49.01	357.79	0.74	-48.27
CC(NC(=O)CC1CCCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141638	0	52	-1.0	-41.22	391.79	4.79	-36.43
CC(NC(=O)CC1CCCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141638	1	52	-1.0	-41.25	391.85	4.82	-36.43
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CCCCC2)=N1	REAL300020141639	0	49	-1.0	-49.54	377.95	6.02	-43.52
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CCCCC2)=N1	REAL300020141639	1	49	-1.0	-49.53	378.01	6.04	-43.49
O=C(CCC1CCCC1)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141640	0	49	-1.0	-43.93	379.36	4.30	-39.63
O=C(CCC1CCCC1)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141640	1	49	-1.0	-43.94	379.41	4.33	-39.61
CC1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141641	0	43	-1.0	-47.57	350.04	6.22	-41.35
CC1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141641	1	43	-1.0	-47.54	350.10	6.25	-41.29
CC(C)(C)N1C=CN=C1SCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141642	0	46	-1.0	-46.60	369.37	6.12	-40.48
CC(C)(C)N1C=CN=C1SCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141642	1	46	-1.0	-46.62	369.32	6.09	-40.53
CC1=NC=CN1CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141643	0	42	-1.0	-54.83	337.85	5.63	-49.20
CC1=NC=CN1CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141643	1	42	-1.0	-54.81	337.91	5.65	-49.16
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141643	1	43	0.0	-65.99	341.24	6.10	-59.89
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141643	1	43	0.0	-65.96	341.30	6.12	-59.84
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Br)=C1	REAL300020141644	0	42	-1.0	-48.82	333.32	6.55	-42.27
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Br)=C1	REAL300020141644	1	42	-1.0	-48.81	333.38	6.58	-42.23
CS(=O)(=O)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020141645	0	45	-1.0	-54.00	379.34	3.28	-50.72
CS(=O)(=O)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020141645	1	45	-1.0	-53.96	379.40	3.31	-50.65
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141646	0	44	-1.0	-54.99	347.37	5.56	-49.43
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141646	1	44	-1.0	-54.99	347.42	5.59	-49.40
O=C(C1=NN(C2=CC=CC=C2)C(C2CC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141647	0	46	-1.0	-49.31	374.01	7.94	-41.37
O=C(C1=NN(C2=CC=CC=C2)C(C2CC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141647	1	46	-1.0	-49.31	374.07	7.96	-41.35
CC(C)(C)C1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020141648	0	44	-1.0	-49.35	361.45	4.94	-44.41
CC(C)(C)C1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020141648	1	44	-1.0	-49.40	361.51	4.96	-44.44
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1F	REAL300020141649	0	42	-1.0	-49.00	334.55	6.71	-42.29
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1F	REAL300020141649	1	42	-1.0	-48.97	334.60	6.73	-42.24
CC1(C)CC2=C(SC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C2=CC=CC=C21	REAL300020141650	0	50	-1.0	-41.54	396.53	9.03	-32.51
CC1(C)CC2=C(SC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C2=CC=CC=C21	REAL300020141650	1	50	-1.0	-41.52	396.59	9.05	-32.47
COCCOCC(=O)NC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020141651	0	57	-1.0	-45.99	439.32	4.00	-41.99
COCCOCC(=O)NC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141651	1	57	-1.0	-46.01	439.38	4.03	-41.98
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020141652	0	35	-1.0	-42.13	313.43	4.94	-37.19
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020141652	1	35	-1.0	-42.10	313.48	4.97	-37.13
O=C(C1=CN=C(CC2=CC=C(F)C=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141653	0	42	-1.0	-37.61	364.76	6.15	-31.46
O=C(C1=CN=C(CC2=CC=C(F)C=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141653	1	42	-1.0	-37.64	364.82	6.17	-31.47
O=C(CN1C2=CC=CC=C2CCCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141654	0	47	-1.0	-51.95	365.38	6.69	-45.26
O=C(CN1C2=CC=CC=C2CCCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141654	1	47	-1.0	-51.95	365.43	6.72	-45.23
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141655	0	38	-1.0	-54.23	327.05	4.65	-49.58
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141655	1	38	-1.0	-54.26	327.11	4.67	-49.59
O=C(CC1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141656	0	36	-1.0	-47.63	311.40	5.94	-41.69
O=C(CC1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141656	1	36	-1.0	-47.68	311.46	5.97	-41.71
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1C(C)CCC1C	REAL300020141657	0	48	0.0	-60.26	338.60	5.66	-54.60
O=C(C1=CN=C2C(=C1)C=NN2C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141658	0	48	-1.0	-46.80	380.00	6.53	-40.27
O=C(C1=CN=C2C(=C1)C=NN2C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141658	1	48	-1.0	-46.78	379.95	6.50	-40.28
O=C(C1=NN(C2=CC=CC=C2Cl)C(C2CC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141659	0	46	-1.0	-53.19	391.18	8.73	-44.46
O=C(C1=NN(C2=CC=CC=C2Cl)C(C2CC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141659	1	46	-1.0	-53.22	391.24	8.75	-44.47
O=C(C1=CC=C(CN2C=C(Cl)C=N2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141660	0	40	-1.0	-47.68	352.82	5.13	-42.55
O=C(C1=CC=C(CN2C=C(Cl)C=N2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141660	1	40	-1.0	-47.64	352.76	5.10	-42.54
CC1=NSC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020141661	0	37	-1.0	-43.22	317.06	3.15	-40.07
CC1=NSC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020141661	1	37	-1.0	-43.23	317.12	3.17	-40.06
O=C(C1=CC(Br)=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141662	0	39	-1.0	-45.66	333.86	4.20	-41.46
O=C(C1=CC(Br)=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141662	1	39	-1.0	-45.70	333.92	4.23	-41.47
COC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141663	0	37	-1.0	-38.99	320.80	4.59	-34.40
COC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141663	1	37	-1.0	-38.97	320.86	4.62	-34.35
O=C(CC1CCCCC1)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141664	0	49	-1.0	-43.79	373.47	4.15	-39.64
O=C(CC1CCCCC1)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141664	1	49	-1.0	-43.82	373.53	4.18	-39.64
CC1=NOC(C)=C1C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141665	0	41	-1.0	-37.32	318.03	4.37	-32.95
CC1=NOC(C)=C1C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141665	1	41	-1.0	-37.33	318.09	4.39	-32.94
CS(=O)(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020141666	0	42	-1.0	-49.63	313.99	1.40	-48.23
CS(=O)(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020141666	1	42	-1.0	-49.60	314.05	1.42	-48.18
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141667	0	43	-1.0	-40.34	373.36	8.12	-32.22
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141667	1	43	-1.0	-40.36	373.42	8.15	-32.21
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C([N+](=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300020141668	0	43	-1.0	-40.50	363.61	7.22	-33.28
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C([N+](=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300020141668	1	43	-1.0	-40.53	363.67	7.25	-33.28
CC(C)OC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141669	0	46	-1.0	-49.12	362.76	6.34	-42.78
CC(C)OC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141669	1	46	-1.0	-49.06	362.81	6.37	-42.69
O=C(C1=CC=C(N2C=CN=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141670	0	38	-1.0	-46.01	317.69	5.49	-40.52
O=C(C1=CC=C(N2C=CN=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141670	1	38	-1.0	-46.00	317.74	5.52	-40.48
CC1=CC=CN2C=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C12	REAL300020141671	0	42	-1.0	-59.47	342.05	6.64	-52.83
CC1=CC=CN2C=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C12	REAL300020141671	1	42	-1.0	-59.47	342.11	6.67	-52.80
O=C(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141672	0	39	-1.0	-57.61	354.29	7.01	-50.60
O=C(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141672	1	39	-1.0	-57.62	354.34	7.03	-50.59
CC1=CC=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCC2)=C1	REAL300020141673	0	49	-1.0	-46.07	359.60	8.00	-38.07
CC1=CC=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCC2)=C1	REAL300020141673	1	49	-1.0	-46.10	359.65	8.03	-38.07
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141674	0	41	-1.0	-46.99	331.37	3.57	-43.42
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141674	1	41	-1.0	-46.99	331.43	3.60	-43.39
CC(C)C1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2)C=C1	REAL300020141675	0	52	-1.0	-46.80	387.01	8.44	-38.36
CC(C)C1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2)C=C1	REAL300020141675	1	52	-1.0	-46.77	387.06	8.47	-38.30
CN1C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN=C1C1=CC=CS1	REAL300020141676	0	43	-1.0	-48.28	378.27	6.81	-41.47
CN1C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=CS1	REAL300020141676	1	43	-1.0	-48.29	378.32	6.83	-41.46
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141677	0	46	-1.0	-48.39	376.76	9.09	-39.30
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141677	1	46	-1.0	-48.36	376.71	9.07	-39.29
COC1=CC=C(CCCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141678	0	52	-1.0	-49.92	410.10	7.90	-42.02
COC1=CC=C(CCCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141678	1	52	-1.0	-49.88	410.15	7.93	-41.95
CCSC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020141679	0	39	-1.0	-37.30	329.66	4.78	-32.52
CCSC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020141679	1	39	-1.0	-37.29	329.60	4.75	-32.54
CN(C)C(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141680	0	43	-1.0	-48.55	341.61	4.25	-44.30
CN(C)C(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141680	1	43	-1.0	-48.55	341.67	4.27	-44.28
O=C(C1CCOC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141681	0	41	-1.0	-48.79	322.20	5.06	-43.73
O=C(C1CCOC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141681	1	41	-1.0	-48.77	322.26	5.09	-43.68
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141682	0	55	-1.0	-41.75	402.46	5.34	-36.41
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141682	1	55	-1.0	-41.77	402.51	5.37	-36.40
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141683	0	42	-1.0	-53.39	357.67	2.14	-51.25
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141683	1	42	-1.0	-53.40	357.73	2.16	-51.24
CCCC(=O)N1CSCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141684	0	44	-1.0	-55.14	353.24	5.50	-49.64
CCCC(=O)N1CSCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141684	1	44	-1.0	-55.13	353.29	5.52	-49.61
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141685	0	43	-1.0	-45.56	362.10	6.05	-39.51
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141685	1	43	-1.0	-45.57	362.16	6.08	-39.49
O=C(C1=CC=C(OCC2CC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141686	0	43	-1.0	-43.41	350.23	3.58	-39.83
O=C(C1=CC=C(OCC2CC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141686	1	43	-1.0	-43.41	350.18	3.56	-39.85
CC(C)C(SCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141687	0	49	-1.0	-48.28	389.51	8.45	-39.83
CC(C)C(SCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141687	1	49	-1.0	-48.28	389.57	8.47	-39.81
O=C(C1=CC([N+](=O)[O-])=CC2=C1OCCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141688	0	41	-1.0	-46.20	342.19	4.92	-41.28
O=C(C1=CC([N+](=O)[O-])=CC2=C1OCCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141688	1	41	-1.0	-46.21	342.25	4.95	-41.26
CCC1=CC=C(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141689	0	45	-1.0	-46.43	352.59	7.22	-39.21
CCC1=CC=C(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141689	1	45	-1.0	-46.39	352.64	7.24	-39.15
O=C(CCC1=CC=CC(OC2CCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141690	0	53	-1.0	-47.00	410.17	8.44	-38.56
O=C(CCC1=CC=CC(OC2CCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141690	1	53	-1.0	-47.04	410.22	8.47	-38.57
O=C(COC1=CC=CC=C1OCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141691	0	44	-1.0	-57.71	374.26	6.49	-51.22
O=C(COC1=CC=CC=C1OCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141691	1	44	-1.0	-57.72	374.32	6.51	-51.21
CC(C)(C)C(=O)N1CSCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141692	0	47	-1.0	-53.88	360.91	4.62	-49.26
CC(C)(C)C(=O)N1CSCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141692	1	47	-1.0	-53.85	360.96	4.65	-49.20
O=C(NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C1CCCC1	REAL300020141693	0	53	-1.0	-48.67	416.01	6.15	-42.52
O=C(NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C1CCCC1	REAL300020141693	1	53	-1.0	-48.71	416.07	6.18	-42.53
CCCCCS(=O)(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141694	0	44	-1.0	-63.70	362.18	2.76	-60.94
CCCCCS(=O)(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141694	1	44	-1.0	-63.67	362.23	2.79	-60.88
CCCCC(=O)N1CSCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141695	0	47	-1.0	-55.37	374.73	6.28	-49.09
CCCCC(=O)N1CSCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141695	1	47	-1.0	-55.34	374.79	6.30	-49.04
CCC=C(C)C(=O)N1CSCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141696	0	48	-1.0	-56.49	381.15	6.44	-50.05
CCC=C(C)C(=O)N1CSCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141696	1	48	-1.0	-56.50	381.20	6.46	-50.04
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020141697	0	45	-1.0	-43.27	349.66	7.06	-36.21
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020141697	1	45	-1.0	-43.26	349.72	7.08	-36.18
CC(OC1=CC=CC=C1CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141698	0	53	-1.0	-40.13	416.61	10.18	-29.95
CC(OC1=CC=CC=C1CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141698	1	53	-1.0	-40.16	416.67	10.20	-29.96
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)C1CCCCC1	REAL300020141699	0	52	-1.0	-54.02	396.31	5.32	-48.70
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)C1CCCCC1	REAL300020141699	1	52	-1.0	-54.01	396.37	5.34	-48.67
O=C(CCC1=CC=CC=C1OC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141700	0	43	-1.0	-46.84	360.88	6.10	-40.74
O=C(CCC1=CC=CC=C1OC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141700	1	43	-1.0	-46.84	360.94	6.12	-40.72
O=C(C1=CN=C(C2=CC=CC=N2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141701	0	38	-1.0	-46.25	330.11	3.59	-42.66
O=C(C1=CN=C(C2=CC=CC=N2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141701	1	38	-1.0	-46.25	330.16	3.62	-42.63
CC(C)OC1=CC=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141702	0	47	-1.0	-38.45	372.88	6.77	-31.68
CC(C)OC1=CC=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141702	1	47	-1.0	-38.49	372.94	6.80	-31.69
CC1=CC=CC=C1C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020141703	0	42	-1.0	-47.52	347.72	6.25	-41.27
CC1=CC=CC=C1C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020141703	1	42	-1.0	-47.52	347.78	6.28	-41.24
O=C(C1=CSC(C2=CC=CC=C2Cl)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141704	0	39	-1.0	-46.32	344.86	6.38	-39.94
O=C(C1=CSC(C2=CC=CC=C2Cl)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141704	1	39	-1.0	-46.33	344.80	6.35	-39.98
CC(C)(C)C1=CC=C(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141705	0	54	-1.0	-48.34	413.77	9.35	-38.99
CC(C)(C)C1=CC=C(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141705	1	54	-1.0	-48.33	413.82	9.38	-38.95
CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141706	0	46	-1.0	-43.75	357.50	2.21	-41.54
CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141706	1	46	-1.0	-43.81	357.55	2.24	-41.57
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141707	0	40	-1.0	-47.30	350.82	6.73	-40.57
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141707	1	40	-1.0	-47.36	350.87	6.75	-40.61
O=C(C1=CC=C(Br)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141708	0	32	-1.0	-38.78	286.19	4.10	-34.68
O=C(C1=CC=C(Br)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141708	1	32	-1.0	-38.78	286.13	4.08	-34.70
CC1CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C)(C)C1	REAL300020141709	0	51	-1.0	-45.98	366.48	7.15	-38.83
CC1CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C)(C)C1	REAL300020141709	1	51	-1.0	-45.96	366.54	7.17	-38.79
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300020141710	0	43	-1.0	-51.63	357.59	7.26	-44.37
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300020141710	1	43	-1.0	-51.62	357.64	7.29	-44.33
COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020141711	0	42	-1.0	-55.24	350.23	6.19	-49.05
COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020141711	1	42	-1.0	-55.20	350.28	6.21	-48.99
CCCCCCC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141712	0	50	-1.0	-45.75	377.11	7.59	-38.16
CCCCCCC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141712	1	50	-1.0	-45.78	377.16	7.61	-38.17
NS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141713	0	41	-1.0	-55.98	348.90	0.39	-55.59
NS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141713	1	41	-1.0	-55.98	348.96	0.42	-55.56
CC[NH+](CC)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141714	0	51	0.0	-62.27	366.44	7.57	-54.70
CCN(CC)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141714	1	50	-1.0	-45.81	372.32	5.50	-40.31
CCN(CC)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141714	1	50	-1.0	-45.81	372.37	5.52	-40.29
O=C(C1NC2=CC=CC=C2S(=O)(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141715	0	41	-1.0	-59.90	340.00	-1.21	-61.11
O=C(C1NC2=CC=CC=C2S(=O)(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141715	1	41	-1.0	-59.91	340.06	-1.19	-61.10
CCOC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020141716	0	51	-1.0	-50.22	414.87	6.66	-43.56
CCOC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020141716	1	51	-1.0	-50.24	414.93	6.69	-43.55
O=C([C@H]1COCC(=O)N1CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141717	0	48	-1.0	-48.27	377.13	4.41	-43.86
O=C([C@H]1COCC(=O)N1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141717	1	48	-1.0	-48.33	377.19	4.43	-43.90
O=C(NCCCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141718	0	46	-1.0	-41.15	373.40	4.45	-36.70
O=C(NCCCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141718	1	46	-1.0	-41.16	373.46	4.47	-36.69
CCCN(CCC)C(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141719	0	51	-1.0	-44.89	396.85	6.18	-38.71
CCCN(CCC)C(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141719	1	51	-1.0	-44.91	396.90	6.20	-38.71
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=NNC=N2)=N1	REAL300020141720	0	38	-1.0	-45.98	331.15	3.06	-42.92
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=NNC=N2)=N1	REAL300020141720	1	38	-1.0	-46.03	331.20	3.08	-42.95
COC1=CC=CC=C1NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141721	0	42	-1.0	-48.78	335.95	3.10	-45.68
COC1=CC=CC=C1NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141721	1	42	-1.0	-48.76	336.00	3.13	-45.63
CC(C)(C)CC(=O)N1CSCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141722	0	50	-1.0	-53.57	384.94	6.40	-47.17
CC(C)(C)CC(=O)N1CSCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141722	1	50	-1.0	-53.54	385.00	6.42	-47.12
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141723	0	45	-1.0	-50.36	350.48	0.27	-50.09
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141723	1	45	-1.0	-50.37	350.54	0.29	-50.08
O=C(CNC(=O)NCC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141724	0	45	-1.0	-45.12	386.31	3.10	-42.02
O=C(CNC(=O)NCC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141724	1	45	-1.0	-45.10	386.37	3.13	-41.97
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Cl	REAL300020141725	0	40	-1.0	-44.85	338.61	7.14	-37.71
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Cl	REAL300020141725	1	40	-1.0	-44.84	338.66	7.17	-37.67
N#CC1=CC=C(OCC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020141726	0	45	-1.0	-48.44	384.02	6.60	-41.84
N#CC1=CC=C(OCC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020141726	1	45	-1.0	-48.44	384.08	6.62	-41.82
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1I	REAL300020141727	0	36	-1.0	-46.06	315.78	6.07	-39.99
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1I	REAL300020141727	1	36	-1.0	-46.06	315.84	6.09	-39.97
COC1=CC=CC=C1C(C)=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141728	0	44	-1.0	-47.41	352.66	6.06	-41.35
COC1=CC=CC=C1C(C)=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141728	1	44	-1.0	-47.42	352.71	6.09	-41.33
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)C1CCCC1	REAL300020141729	0	49	-1.0	-54.34	378.88	4.63	-49.71
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)C1CCCC1	REAL300020141729	1	49	-1.0	-54.33	378.94	4.65	-49.68
CC(SC1=CC=C(C#N)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141730	0	41	-1.0	-48.44	354.45	6.88	-41.56
CC(SC1=CC=C(C#N)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141730	1	41	-1.0	-48.46	354.51	6.91	-41.55
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(CC(C)C)=N1	REAL300020141731	0	44	-1.0	-38.26	355.20	4.97	-33.29
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(CC(C)C)=N1	REAL300020141731	1	44	-1.0	-38.27	355.25	5.00	-33.27
CC1(C)CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020141732	0	49	-1.0	-47.83	364.30	7.75	-40.08
CC1(C)CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020141732	1	49	-1.0	-47.79	364.36	7.77	-40.02
O=C(CC1=CNC2=CC(Cl)=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141733	0	40	-1.0	-50.13	343.33	6.01	-44.12
O=C(CC1=CNC2=CC(Cl)=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141733	1	40	-1.0	-50.13	343.38	6.03	-44.10
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141734	0	43	-1.0	-55.66	354.08	6.71	-48.95
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141734	1	43	-1.0	-55.65	354.14	6.74	-48.91
CC1CCN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=N2)CC1	REAL300020141735	0	50	-1.0	-46.08	381.19	5.72	-40.36
CC1CCN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=N2)CC1	REAL300020141735	1	50	-1.0	-46.10	381.13	5.70	-40.40
O=C(C1=CC=C(N2CCCC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141736	0	44	-1.0	-46.29	343.59	4.37	-41.92
O=C(C1=CC=C(N2CCCC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141736	1	44	-1.0	-46.32	343.54	4.34	-41.98
O=C(OCC(F)(F)F)N1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141737	0	44	-1.0	-54.21	368.31	4.33	-49.88
O=C(OCC(F)(F)F)N1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141737	1	44	-1.0	-54.21	368.37	4.35	-49.86
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C2OCCOC2=C1	REAL300020141738	0	45	-1.0	-47.90	354.52	4.93	-42.97
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C2OCCOC2=C1	REAL300020141738	1	45	-1.0	-47.98	354.57	4.96	-43.02
CC(C)CC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141739	0	52	-1.0	-44.38	406.85	5.96	-38.42
CC(C)CC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141739	1	52	-1.0	-44.45	406.90	5.99	-38.46
O=C(CSCC1CCCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141740	0	44	-1.0	-50.13	354.10	4.97	-45.16
O=C(CSCC1CCCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141740	1	44	-1.0	-50.08	354.15	5.00	-45.08
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C(F)F	REAL300020141741	0	36	-1.0	-51.44	302.70	2.90	-48.54
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C(F)F	REAL300020141741	1	36	-1.0	-51.41	302.75	2.93	-48.48
CC(=O)NC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=C(F)C=CC=C1F	REAL300020141742	0	46	-1.0	-55.24	381.38	5.35	-49.89
CC(=O)NC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=C(F)C=CC=C1F	REAL300020141742	1	46	-1.0	-55.23	381.44	5.37	-49.86
CCCS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141743	0	47	-1.0	-50.26	388.39	2.66	-47.60
CCCS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141743	1	47	-1.0	-50.24	388.45	2.69	-47.55
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=C(C#N)C=C1	REAL300020141744	0	48	-1.0	-49.37	399.58	8.86	-40.51
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=C(C#N)C=C1	REAL300020141744	1	48	-1.0	-49.41	399.64	8.89	-40.52
CC(C)CCC(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141745	0	45	-1.0	-44.00	354.22	2.97	-41.03
CC(C)CCC(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141745	1	45	-1.0	-43.94	354.27	3.00	-40.94
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141746	0	45	-1.0	-59.85	361.58	3.59	-56.26
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141746	1	45	-1.0	-59.81	361.53	3.57	-56.24
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141746	1	44	-2.0	-109.48	358.09	2.67	-106.81
O=C(COCC(=O)N1CCCC(C2=NN=N[N-]2)C1)NCC1=CC=CN=C1	REAL300020141747	0	46	-1.0	-62.96	384.21	3.33	-59.63
O=C(COCC(=O)N1CCCC(C2=N[N-]N=N2)C1)NCC1=CC=CN=C1	REAL300020141747	1	46	-1.0	-63.03	384.15	3.30	-59.73
O=C(C1=CC=CC(CN2CCOCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141748	0	49	-1.0	-47.76	379.43	3.53	-44.23
O=C(C1=CC=CC(CN2CCOCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141748	1	49	-1.0	-47.80	379.48	3.56	-44.24
CCC[NH+](CCC)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141749	0	53	0.0	-69.47	388.35	7.10	-62.37
CCC[NH+](CCC)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141749	1	53	0.0	-69.44	388.41	7.13	-62.31
CCN(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141750	0	47	-1.0	-46.83	359.26	4.97	-41.86
CC[N@H+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141750	1	48	0.0	-59.25	357.73	7.08	-52.17
CC[N@@H+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141750	1	48	0.0	-58.62	358.45	7.08	-51.54
CCN(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141750	1	47	-1.0	-46.82	359.31	4.99	-41.83
O=C(CC1=CSC(C2=NNC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141751	0	38	-1.0	-61.76	335.15	3.50	-58.26
O=C(CC1=CSC(C2=NNC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141751	1	38	-1.0	-61.80	335.20	3.53	-58.27
CCOC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OCC(=O)OC	REAL300020141752	0	50	-1.0	-54.17	406.77	6.02	-48.15
CCOC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OCC(=O)OC	REAL300020141752	1	50	-1.0	-54.13	406.82	6.05	-48.08
CC(=O)NCC(=O)N1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141753	0	47	-1.0	-57.71	370.63	2.29	-55.42
CC(=O)NCC(=O)N1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141753	1	47	-1.0	-57.73	370.69	2.32	-55.41
N#CC1=CC=C(OC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020141754	0	45	-1.0	-50.26	380.06	7.69	-42.57
N#CC1=CC=C(OC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020141754	1	45	-1.0	-50.30	380.12	7.72	-42.58
COC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141755	0	46	-1.0	-45.17	381.18	6.04	-39.13
COC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141755	1	46	-1.0	-45.17	381.13	6.01	-39.16
O=C(C1CCCN1C1=C2C=CSC2=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141756	0	46	-1.0	-59.14	367.08	4.67	-54.47
O=C(C1CCCN1C1=C2C=CSC2=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141756	1	46	-1.0	-59.12	367.03	4.64	-54.48
CC(C)COC1=NC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141757	0	45	-1.0	-51.42	360.64	3.89	-47.53
CC(C)COC1=NC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141757	1	45	-1.0	-51.35	360.58	3.86	-47.49
CCC(NC1=NN=NN1C1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141758	0	49	-1.0	-42.31	388.85	6.37	-35.94
CCC(NC1=NN=NN1C1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141758	1	49	-1.0	-42.25	388.79	6.34	-35.91
N#CC1=CC=C(N2CCCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141759	0	46	-1.0	-48.69	361.20	5.17	-43.52
N#CC1=CC=C(N2CCCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141759	1	46	-1.0	-48.77	361.26	5.19	-43.58
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141760	0	53	-1.0	-40.73	391.89	2.69	-38.04
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141760	1	53	-1.0	-40.77	391.95	2.72	-38.05
CCCN(CCC)C(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141761	0	54	-1.0	-58.35	418.34	6.96	-51.39
CCCN(CCC)C(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141761	1	54	-1.0	-58.38	418.40	6.99	-51.39
CCCNC(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141762	0	45	-1.0	-58.59	358.78	3.18	-55.41
CCCNC(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141762	1	45	-1.0	-58.64	358.84	3.20	-55.44
CC(C)NC(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141763	0	45	-1.0	-58.83	357.91	3.21	-55.62
CC(C)NC(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141763	1	45	-1.0	-58.81	357.97	3.24	-55.57
O=C(C1=CC(F)=C(F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141764	0	33	-1.0	-41.60	288.91	4.60	-37.00
O=C(C1=CC(F)=C(F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141764	1	33	-1.0	-41.63	288.97	4.62	-37.01
COC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141765	0	41	-1.0	-47.00	334.86	2.59	-44.41
COC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141765	1	41	-1.0	-47.03	334.91	2.61	-44.42
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300020141766	0	44	-2.0	-93.73	371.64	-1.60	-95.33
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300020141766	1	44	-2.0	-93.72	371.70	-1.58	-95.30
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC1=NN=C(C2CC2)O1	REAL300020141766	1	45	-1.0	-51.73	374.94	0.10	-51.63
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC1=NN=C(C2CC2)O1	REAL300020141766	1	45	-1.0	-51.76	375.00	0.13	-51.63
CN1CCN(C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2)CC1	REAL300020141767	0	53	-1.0	-46.82	398.72	3.73	-43.09
CN1CCN(C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2)CC1	REAL300020141767	1	53	-1.0	-46.79	398.78	3.76	-43.03
C[NH+]1CCN(C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2)CC1	REAL300020141767	1	54	0.0	-66.33	401.87	6.12	-60.21
O=C(C1=CC=C(CSC2=NNC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141768	0	43	-1.0	-52.70	369.67	6.51	-46.19
O=C(C1=CC=C(CSC2=NNC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141768	1	43	-1.0	-52.72	369.73	6.54	-46.18
COC1=CC=CC=C1C(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141769	0	46	-1.0	-48.40	357.41	6.06	-42.34
COC1=CC=CC=C1C(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141769	1	46	-1.0	-48.38	357.47	6.09	-42.29
CCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141770	0	50	-1.0	-51.77	403.23	7.40	-44.37
CCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141770	1	50	-1.0	-51.80	403.17	7.37	-44.43
O=C(C1=CN=C(C2=CC=C3OCOC3=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141771	0	42	-1.0	-39.19	359.82	3.98	-35.21
O=C(C1=CN=C(C2=CC=C3OCOC3=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141771	1	42	-1.0	-39.17	359.76	3.96	-35.21
N#CCCN(C(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141772	0	50	-1.0	-50.56	412.03	7.56	-43.00
N#CCCN(C(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141772	1	50	-1.0	-50.55	412.09	7.59	-42.96
CC1=CC=C(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141773	0	45	-1.0	-45.77	331.77	6.74	-39.03
CC1=CC=C(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141773	1	45	-1.0	-45.79	331.83	6.77	-39.02
O=C(CC(C1=CC=CC=C1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141774	0	42	-1.0	-44.82	345.30	6.87	-37.95
O=C(CC(C1=CC=CC=C1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141774	1	42	-1.0	-44.83	345.35	6.90	-37.93
CCOC1=CC=CC=C1C(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(C)=O	REAL300020141775	0	53	-1.0	-46.48	414.01	4.81	-41.67
CCOC1=CC=CC=C1C(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(C)=O	REAL300020141775	1	53	-1.0	-46.48	414.07	4.83	-41.65
O=C(C1=CSC(C2=CN=CC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141776	0	37	-1.0	-48.74	324.68	2.33	-46.41
O=C(C1=CSC(C2=CN=CC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141776	1	37	-1.0	-48.71	324.74	2.35	-46.36
O=C(CC(C1=CC=CC=C1)N1CCOC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141777	0	48	-1.0	-62.22	379.20	6.35	-55.87
O=C(CC(C1=CC=CC=C1)N1CCOC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141777	1	48	-1.0	-62.26	379.26	6.38	-55.88
O=C(NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1)C1=CC=CO1	REAL300020141778	0	41	-1.0	-47.56	354.22	3.69	-43.87
O=C(NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1)C1=CC=CO1	REAL300020141778	1	41	-1.0	-47.55	354.28	3.71	-43.84
O=CC1=CC=CC(OCC2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141779	0	49	-1.0	-50.76	397.38	7.49	-43.27
O=CC1=CC=CC(OCC2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141779	1	49	-1.0	-50.79	397.44	7.51	-43.28
O=C(CCN1CCN(C(=O)C2CCCO2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141780	0	56	-1.0	-56.75	420.64	3.43	-53.32
O=C(CCN1CCN(C(=O)C2CCCO2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141780	1	56	-1.0	-56.73	420.70	3.45	-53.28
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141780	1	57	0.0	-88.18	422.94	5.64	-82.54
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141780	1	57	0.0	-88.19	422.99	5.67	-82.52
CNC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=N1	REAL300020141781	0	37	-1.0	-42.85	316.82	2.76	-40.09
CNC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=N1	REAL300020141781	1	37	-1.0	-42.86	316.76	2.73	-40.13
NC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020141782	0	44	-1.0	-44.24	361.34	3.07	-41.17
NC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020141782	1	44	-1.0	-44.28	361.28	3.05	-41.23
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300020141783	0	58	0.0	-62.88	426.71	9.58	-53.30
O=C(C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141784	0	41	-1.0	-54.19	352.77	4.23	-49.96
O=C(C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141784	1	41	-1.0	-54.21	352.83	4.26	-49.95
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC2=CC=CN=C21	REAL300020141785	0	47	-1.0	-51.74	382.93	5.88	-45.86
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC2=CC=CN=C21	REAL300020141785	1	47	-1.0	-51.72	382.87	5.85	-45.87
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC(Cl)=C1	REAL300020141786	0	45	-1.0	-47.94	376.52	6.37	-41.57
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC(Cl)=C1	REAL300020141786	1	45	-1.0	-47.96	376.58	6.39	-41.57
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C2OCCOC2=C1	REAL300020141787	0	48	-1.0	-46.02	383.81	4.31	-41.71
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C2OCCOC2=C1	REAL300020141787	1	48	-1.0	-46.02	383.87	4.33	-41.69
CC(C)OC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141788	0	43	-1.0	-41.46	339.43	5.61	-35.85
CC(C)OC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141788	1	43	-1.0	-41.45	339.49	5.64	-35.81
O=C(C1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141789	0	43	-1.0	-46.52	371.93	5.26	-41.26
O=C(C1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141789	1	43	-1.0	-46.51	371.88	5.23	-41.28
O=C(C1=CC2=C(CCCC2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141790	0	43	-1.0	-48.17	335.77	3.85	-44.32
O=C(C1=CC2=C(CCCC2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141790	1	43	-1.0	-48.17	335.82	3.88	-44.29
O=C(CC1=COC(C2=CC=CS2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141791	0	39	-1.0	-57.12	341.55	3.01	-54.11
O=C(CC1=COC(C2=CC=CS2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141791	1	39	-1.0	-57.13	341.49	2.98	-54.15
O=C(C1=CC(C2=CC=CC=C2)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141792	0	43	-1.0	-47.20	359.56	8.31	-38.89
O=C(C1=CC(C2=CC=CC=C2)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141792	1	43	-1.0	-47.20	359.62	8.34	-38.86
CCCC(=O)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141793	0	49	-1.0	-59.15	367.11	6.44	-52.71
CCCC(=O)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141793	1	49	-1.0	-59.12	367.17	6.47	-52.65
CC1(C)CC(=O)C2=C(C1)NC(=O)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020141794	0	48	-1.0	-60.47	380.91	4.02	-56.45
CC1(C)CC(=O)C2=C(C1)NC(=O)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020141794	1	48	-1.0	-60.51	380.97	4.05	-56.46
O=C(CN1C=C2C=CC=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141795	0	39	-1.0	-60.44	321.75	5.10	-55.34
O=C(CN1C=C2C=CC=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141795	1	39	-1.0	-60.43	321.70	5.07	-55.36
O=C(C1CCCCN1CC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141796	0	50	-1.0	-46.01	371.55	4.13	-41.88
O=C(C1CCCCN1CC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141796	1	50	-1.0	-45.95	371.61	4.15	-41.80
O=C(C1CCCC[N@@H+]1CC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141796	1	51	0.0	-65.82	382.32	6.55	-59.27
O=C(C1CCCC[N@H+]1CC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141796	1	51	0.0	-66.18	371.27	6.04	-60.14
O=C(C(SC1=CC=CC=C1F)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141797	0	47	-1.0	-53.06	388.48	9.08	-43.98
O=C(C(SC1=CC=CC=C1F)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141797	1	47	-1.0	-53.10	388.54	9.11	-43.99
O=C(C=CC1=CC=CC=C1OCC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141798	0	57	-1.0	-50.97	436.91	9.61	-41.36
O=C(C=CC1=CC=CC=C1OCC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141798	1	57	-1.0	-50.93	436.97	9.63	-41.30
O=C(C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141799	0	41	-1.0	-55.41	352.36	5.39	-50.02
O=C(C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141799	1	41	-1.0	-55.42	352.30	5.36	-50.06
CC1=NC2=C(C(=O)NN2C)C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141800	0	48	-1.0	-56.22	381.29	3.76	-52.46
CC1=NC2=C(C(=O)NN2C)C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141800	1	48	-1.0	-56.23	381.35	3.79	-52.44
O=C(CCCCCC1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141801	0	45	-1.0	-48.24	370.78	7.68	-40.56
O=C(CCCCCC1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141801	1	45	-1.0	-48.28	370.84	7.71	-40.57
O=C(C1=CC(F)=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141802	0	35	-1.0	-44.67	304.54	5.16	-39.51
O=C(C1=CC(F)=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141802	1	35	-1.0	-44.68	304.60	5.19	-39.49
CCC1=CC=C(C2=NC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020141803	0	48	-1.0	-53.92	401.27	7.88	-46.04
CCC1=CC=C(C2=NC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020141803	1	48	-1.0	-53.86	401.21	7.85	-46.01
CC(C)COC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2)C=C1	REAL300020141804	0	56	-1.0	-48.08	419.72	8.23	-39.85
CC(C)COC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2)C=C1	REAL300020141804	1	56	-1.0	-48.08	419.78	8.26	-39.82
CC1=CC=CC(COC2=CC=CC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020141805	0	53	-1.0	-50.96	427.38	9.41	-41.55
CC1=CC=CC(COC2=CC=CC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020141805	1	53	-1.0	-50.93	427.44	9.43	-41.50
CC1=CC=CC=C1COC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141806	0	53	-1.0	-50.76	422.11	9.40	-41.36
CC1=CC=CC=C1COC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141806	1	53	-1.0	-50.76	422.17	9.42	-41.34
O=C(C1=CC=C(C2=CC=C(F)C=C2)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141807	0	43	-1.0	-39.61	357.16	7.96	-31.65
O=C(C1=CC=C(C2=CC=C(F)C=C2)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141807	1	43	-1.0	-39.64	357.22	7.99	-31.65
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141808	0	49	-1.0	-43.65	369.50	2.68	-40.97
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141808	1	49	-1.0	-43.63	369.56	2.70	-40.93
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141809	0	53	-1.0	-45.00	414.03	5.27	-39.73
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141809	1	53	-1.0	-44.98	414.09	5.30	-39.68
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141810	0	52	-1.0	-43.03	393.90	3.53	-39.50
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141810	1	52	-1.0	-43.03	393.96	3.56	-39.47
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141811	0	48	-1.0	-52.63	377.14	5.18	-47.45
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141811	1	48	-1.0	-52.67	377.19	5.20	-47.47
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020141812	0	53	-1.0	-53.32	391.81	4.79	-48.53
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020141812	1	53	-1.0	-53.35	391.87	4.81	-48.54
CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020141813	0	56	-1.0	-39.13	416.53	5.19	-33.94
CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020141813	1	56	-1.0	-39.16	416.59	5.21	-33.95
CC(C)N(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020141814	0	55	-1.0	-48.04	413.93	6.17	-41.87
CC(C)N(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020141814	1	55	-1.0	-48.07	413.99	6.19	-41.88
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141815	0	53	-1.0	-44.95	414.18	5.29	-39.66
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141815	1	53	-1.0	-44.98	414.24	5.32	-39.66
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141816	0	53	-1.0	-43.59	414.24	3.92	-39.67
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141816	1	53	-1.0	-43.59	414.30	3.94	-39.65
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141817	0	52	-1.0	-43.05	381.01	3.10	-39.95
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141817	1	52	-1.0	-43.08	381.07	3.13	-39.95
CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141818	0	52	-1.0	-43.19	392.59	3.46	-39.73
CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141818	1	52	-1.0	-43.19	392.65	3.49	-39.70
O=C(C1=CC=C2NC(C(F)F)=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141819	0	39	-1.0	-46.29	331.42	4.10	-42.19
O=C(C1=CC=C2NC(C(F)F)=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141819	1	39	-1.0	-46.24	331.48	4.12	-42.12
COC1=CC([N+](=O)[O-])=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1SC	REAL300020141820	0	43	-1.0	-52.86	364.24	6.31	-46.55
COC1=CC([N+](=O)[O-])=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1SC	REAL300020141820	1	43	-1.0	-52.82	364.29	6.33	-46.49
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020141821	0	46	-1.0	-53.28	359.82	4.43	-48.85
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020141821	1	46	-1.0	-53.29	359.87	4.46	-48.83
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141822	0	55	-1.0	-43.02	399.96	4.35	-38.67
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141822	1	55	-1.0	-43.04	400.02	4.37	-38.67
CNC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020141823	0	39	-1.0	-45.59	323.66	1.00	-44.59
CNC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020141823	1	39	-1.0	-45.55	323.60	0.97	-44.58
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141824	0	47	-1.0	-51.93	381.73	6.60	-45.33
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141824	1	47	-1.0	-51.96	381.67	6.57	-45.39
O=C(C1=C(CN2C(=O)CC3=CC=CC=C32)C=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141825	0	48	-1.0	-51.13	393.10	7.38	-43.75
O=C(C1=C(CN2C(=O)CC3=CC=CC=C32)C=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141825	1	48	-1.0	-51.10	393.15	7.40	-43.70
CC1CC2=CC=CC=C2N1CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC=C1	REAL300020141826	0	52	-1.0	-47.29	406.53	6.97	-40.32
CC1CC2=CC=CC=C2N1CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC=C1	REAL300020141826	1	52	-1.0	-47.28	406.58	7.00	-40.28
CCCN(CCC)C(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141827	0	55	-1.0	-47.85	421.91	7.55	-40.30
CCCN(CCC)C(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141827	1	55	-1.0	-47.82	421.96	7.57	-40.25
O=CC1=CC=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141828	0	39	-1.0	-53.59	325.71	5.13	-48.46
O=CC1=CC=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141828	1	39	-1.0	-53.58	325.77	5.15	-48.43
O=CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141829	0	39	-1.0	-52.54	326.72	5.11	-47.43
O=CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141829	1	39	-1.0	-52.58	326.78	5.13	-47.45
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1CCCCC1	REAL300020141830	0	54	-1.0	-60.80	391.16	4.85	-55.95
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1CCCCC1	REAL300020141830	1	54	-1.0	-60.82	391.21	4.87	-55.95
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020141831	0	42	-1.0	-45.88	316.81	6.13	-39.75
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020141831	1	42	-1.0	-45.87	316.86	6.15	-39.72
O=C(C1=NN(C2=CC=C(F)C=C2)C=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141832	0	42	-1.0	-57.48	356.76	5.62	-51.86
O=C(C1=NN(C2=CC=C(F)C=C2)C=CC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141832	1	42	-1.0	-57.51	356.81	5.64	-51.87
COC(=O)C1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141833	0	45	-1.0	-48.58	370.91	6.93	-41.65
COC(=O)C1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141833	1	45	-1.0	-48.57	370.96	6.95	-41.62
O=C(CC1OCCC2=C1SC=C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141834	0	41	-1.0	-47.83	336.39	5.46	-42.37
O=C(CC1OCCC2=C1SC=C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141834	1	41	-1.0	-47.82	336.44	5.48	-42.34
CC(C)C(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141835	0	48	-1.0	-47.98	366.93	7.74	-40.24
CC(C)C(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141835	1	48	-1.0	-47.98	366.99	7.77	-40.21
COCCN1C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C(C)=C1C	REAL300020141836	0	53	-1.0	-42.33	418.53	7.21	-35.12
COCCN1C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C(C)=C1C	REAL300020141836	1	53	-1.0	-42.29	418.59	7.24	-35.05
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020141837	0	36	-1.0	-46.19	305.90	5.53	-40.66
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020141837	1	36	-1.0	-46.16	305.96	5.56	-40.60
CN(C)C(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141838	0	43	-1.0	-58.35	340.39	4.21	-54.14
CN(C)C(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141838	1	43	-1.0	-58.38	340.45	4.23	-54.15
O=C(C1=CC2=C(CCOC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141839	0	38	-1.0	-38.15	313.94	3.61	-34.54
O=C(C1=CC2=C(CCOC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141839	1	38	-1.0	-38.16	314.00	3.64	-34.52
N#CC1=CC=C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141840	0	38	-1.0	-49.85	334.06	6.35	-43.50
N#CC1=CC=C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141840	1	38	-1.0	-49.82	334.12	6.38	-43.44
O=C(C1=CC=CC=C1CSC1=NNC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141841	0	43	-1.0	-55.88	365.67	6.45	-49.43
O=C(C1=CC=CC=C1CSC1=NNC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141841	1	43	-1.0	-55.87	365.73	6.47	-49.40
O=CC1=CC=C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141842	0	42	-1.0	-51.67	347.64	4.81	-46.86
O=CC1=CC=C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141842	1	42	-1.0	-51.64	347.69	4.84	-46.80
O=CC1=CC=CC(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141843	0	42	-1.0	-50.07	347.83	4.81	-45.26
O=CC1=CC=CC(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141843	1	42	-1.0	-50.05	347.89	4.83	-45.22
COC(=O)NC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141844	0	41	-1.0	-47.72	336.82	2.99	-44.73
COC(=O)NC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141844	1	41	-1.0	-47.71	336.88	3.02	-44.69
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141845	0	59	0.0	-54.83	436.62	8.69	-46.14
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141845	1	59	0.0	-57.51	430.18	8.54	-48.97
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141845	1	59	0.0	-54.91	436.68	8.71	-46.20
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141845	1	59	0.0	-57.52	430.24	8.56	-48.96
C[NH+](C)CCN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020141846	0	49	0.0	-69.03	373.85	4.48	-64.55
C[NH+](C)CCN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020141846	1	49	0.0	-69.07	373.91	4.51	-64.56
O=C(NC(=CC1=CC=CO1)C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141847	0	48	-1.0	-48.34	395.80	7.39	-40.95
O=C(NC(=CC1=CC=CO1)C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141847	1	48	-1.0	-48.32	395.86	7.41	-40.91
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1S(N)(=O)=O	REAL300020141848	0	41	-1.0	-49.50	339.46	0.12	-49.38
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1S(N)(=O)=O	REAL300020141848	1	41	-1.0	-49.44	339.52	0.15	-49.29
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020141849	0	53	-1.0	-46.93	393.52	3.82	-43.11
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020141849	1	53	-1.0	-46.88	393.58	3.84	-43.04
COC1=CC=CC(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141850	0	41	-1.0	-50.47	342.68	5.25	-45.22
COC1=CC=CC(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141850	1	41	-1.0	-50.51	342.73	5.28	-45.23
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020141851	0	56	0.0	-57.93	410.80	6.48	-51.45
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020141851	1	56	0.0	-57.72	407.13	6.86	-50.86
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020141851	1	56	0.0	-57.92	410.86	6.51	-51.41
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020141851	1	56	0.0	-57.74	407.19	6.89	-50.85
CCN(CC)S(=O)(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141852	0	43	-1.0	-57.71	351.47	1.53	-56.18
CCN(CC)S(=O)(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141852	1	43	-1.0	-57.75	351.53	1.56	-56.19
O=C(C1=CSC2=CN=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141853	0	33	-1.0	-44.63	291.16	4.82	-39.81
O=C(C1=CSC2=CN=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141853	1	33	-1.0	-44.66	291.22	4.85	-39.81
CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141854	0	42	-1.0	-56.02	356.35	2.89	-53.13
CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141854	1	42	-1.0	-56.02	356.41	2.91	-53.11
O=C(CSC1=NN=NN1CC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141855	0	38	-1.0	-47.07	348.66	3.37	-43.70
O=C(CSC1=NN=NN1CC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141855	1	38	-1.0	-47.13	348.61	3.35	-43.78
CC(C)C1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020141856	0	39	-1.0	-41.15	338.25	3.50	-37.65
CC(C)C1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020141856	1	39	-1.0	-41.16	338.31	3.52	-37.64
CC(=O)NCCNC(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141857	0	46	-1.0	-51.34	376.60	-0.04	-51.38
CC(=O)NCCNC(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141857	1	46	-1.0	-51.35	376.65	-0.01	-51.36
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141858	0	57	0.0	-74.65	424.54	7.32	-67.33
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141858	1	57	0.0	-74.63	424.60	7.34	-67.29
O=C(C1CCCCN1CC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141859	0	50	-1.0	-50.38	379.84	4.28	-46.10
O=C(C1CCCCN1CC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141859	1	50	-1.0	-50.39	379.90	4.31	-46.08
O=C(C1CCCC[N@@H+]1CC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141859	1	51	0.0	-62.13	381.35	6.39	-55.74
O=C(C1CCCC[N@H+]1CC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141859	1	51	0.0	-66.31	381.79	6.49	-59.82
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141860	0	55	0.0	-63.83	400.79	8.63	-55.20
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141860	1	55	0.0	-60.82	407.89	8.92	-51.90
CCCCCC[N@H+](C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141861	0	50	0.0	-66.47	374.02	6.90	-59.57
CCCCCC[N@@H+](C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141861	1	50	0.0	-66.49	374.02	6.91	-59.58
O=C(CCC1=NC2=CC=CNC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141862	0	41	-1.0	-63.51	336.18	4.43	-59.08
O=C(CCC1=NC2=CC=CNC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141862	1	41	-1.0	-63.49	336.24	4.45	-59.04
O=C(CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020141863	0	42	-1.0	-53.20	373.32	4.38	-48.82
O=C(CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020141863	1	42	-1.0	-53.18	373.38	4.41	-48.77
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020141864	0	42	-1.0	-46.87	341.97	6.75	-40.12
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020141864	1	42	-1.0	-46.89	342.03	6.77	-40.12
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141865	0	42	-1.0	-53.88	364.76	3.30	-50.58
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141865	1	42	-1.0	-53.87	364.82	3.33	-50.54
O=C(CN1CCC(=O)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141866	0	38	-1.0	-53.98	312.22	0.87	-53.11
O=C(CN1CCC(=O)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141866	1	38	-1.0	-53.97	312.27	0.90	-53.07
COCCC1=CC=C(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141867	0	53	-1.0	-51.02	422.63	6.36	-44.66
COCCC1=CC=C(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141867	1	53	-1.0	-51.02	422.69	6.38	-44.64
O=C(CN1CC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141868	0	41	-1.0	-58.20	338.49	5.18	-53.02
O=C(CN1CC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141868	1	41	-1.0	-58.21	338.55	5.21	-53.00
O=C(CNC(=O)OCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141869	0	37	-1.0	-45.00	325.64	0.90	-44.10
O=C(CNC(=O)OCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141869	1	37	-1.0	-44.98	325.70	0.92	-44.06
CCC1=C2NC=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=CC=C1	REAL300020141870	0	46	-1.0	-51.11	369.52	6.92	-44.19
CCC1=C2NC=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=CC=C1	REAL300020141870	1	46	-1.0	-51.15	369.58	6.94	-44.21
O=CC1=CC=CC(OCC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020141871	0	49	-1.0	-55.34	404.47	7.42	-47.92
O=CC1=CC=CC(OCC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020141871	1	49	-1.0	-55.32	404.53	7.45	-47.87
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(COC2=CC=C(C=O)C=C2)=C1	REAL300020141872	0	49	-1.0	-48.83	403.95	6.54	-42.29
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(COC2=CC=C(C=O)C=C2)=C1	REAL300020141872	1	49	-1.0	-48.79	404.01	6.56	-42.23
O=CC1=CC=C(OCC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CO2)C=C1	REAL300020141873	0	46	-1.0	-53.75	386.56	5.69	-48.06
O=CC1=CC=C(OCC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CO2)C=C1	REAL300020141873	1	46	-1.0	-53.70	386.62	5.71	-47.99
COC1=CC(C=O)=C([N+](=O)[O-])C=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141874	0	45	-1.0	-59.21	380.57	6.59	-52.62
COC1=CC(C=O)=C([N+](=O)[O-])C=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141874	1	45	-1.0	-59.14	380.63	6.61	-52.53
O=CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020141875	0	41	-1.0	-62.44	352.62	6.26	-56.18
O=CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020141875	1	41	-1.0	-62.41	352.68	6.28	-56.13
O=CC1=CC=C(OC(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141876	0	39	-1.0	-45.54	332.89	5.12	-40.42
O=CC1=CC=C(OC(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141876	1	39	-1.0	-45.56	332.95	5.15	-40.41
CCCC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020141877	0	41	-1.0	-47.50	345.77	4.10	-43.40
CCCC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020141877	1	41	-1.0	-47.52	345.83	4.13	-43.39
CCCC1=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1	REAL300020141877	1	41	-1.0	-42.88	344.89	4.39	-38.49
CCCC1=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1	REAL300020141877	1	41	-1.0	-42.89	344.95	4.42	-38.47
O=C(C1=CNN=C1C1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141878	0	39	-1.0	-52.73	322.79	2.80	-49.93
O=C(C1=CNN=C1C1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141878	1	39	-1.0	-52.70	322.84	2.82	-49.88
CN(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020141879	0	44	-1.0	-44.43	357.77	4.71	-39.72
CN(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020141879	1	44	-1.0	-44.44	357.82	4.73	-39.71
C[NH+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020141879	1	45	0.0	-64.26	358.27	6.92	-57.34
COC1=CC=C(CN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020141880	0	47	-1.0	-52.50	383.18	5.34	-47.16
COC1=CC=C(CN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=N2)C=C1	REAL300020141880	1	47	-1.0	-52.49	383.12	5.32	-47.17
COC1=NC=NC(OC)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141881	0	39	-1.0	-48.26	328.19	-0.32	-48.58
COC1=NC=NC(OC)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141881	1	39	-1.0	-48.25	328.13	-0.34	-48.59
CC1OC2=C(C=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC1=O	REAL300020141882	0	42	-1.0	-52.95	338.30	3.32	-49.63
CC1OC2=C(C=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC1=O	REAL300020141882	1	42	-1.0	-52.93	338.36	3.35	-49.58
O=C(C1=CC=CC(C(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141883	0	36	-1.0	-47.62	302.09	5.28	-42.34
O=C(C1=CC=CC(C(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141883	1	36	-1.0	-47.60	302.15	5.31	-42.29
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N2N=CC=C2N1	REAL300020141884	0	42	-1.0	-68.70	343.55	3.72	-64.98
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N2N=CC=C2N1	REAL300020141884	1	42	-1.0	-68.73	343.60	3.74	-64.99
CC1=CC=C(N2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C3=C2CCC3)C(C)=C1	REAL300020141885	0	53	-1.0	-49.34	419.61	9.22	-40.12
CC1=CC=C(N2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C(C)=C1	REAL300020141885	1	53	-1.0	-49.34	419.67	9.24	-40.10
O=C(C(OC1=CC=C(F)C(F)=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141886	0	47	-1.0	-51.43	387.84	8.70	-42.73
O=C(C(OC1=CC=C(F)C(F)=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141886	1	47	-1.0	-51.39	387.90	8.73	-42.66
CCC1=CC=CC=C1OC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141887	0	53	-1.0	-50.74	416.81	10.04	-40.70
CCC1=CC=CC=C1OC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141887	1	53	-1.0	-50.77	416.87	10.07	-40.70
O=C(C1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141888	0	47	-1.0	-47.03	398.54	8.24	-38.79
O=C(C1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141888	1	47	-1.0	-47.03	398.60	8.27	-38.76
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1CC1CC1	REAL300020141889	0	47	-1.0	-48.15	369.29	7.56	-40.59
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1CC1CC1	REAL300020141889	1	47	-1.0	-48.16	369.34	7.59	-40.57
O=C(C1=CC=C(C2=NOC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141890	0	38	-1.0	-48.83	320.81	3.06	-45.77
O=C(C1=CC=C(C2=NOC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141890	1	38	-1.0	-48.80	320.75	3.03	-45.77
O=C(CC1=CC=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141891	0	39	-1.0	-48.01	323.76	6.12	-41.89
O=C(CC1=CC=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141891	1	39	-1.0	-47.97	323.81	6.14	-41.83
O=C(CCCC1=CC=C2NC(=O)CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141892	0	47	-1.0	-52.57	379.60	5.49	-47.08
O=C(CCCC1=CC=C2NC(=O)CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141892	1	47	-1.0	-52.56	379.66	5.52	-47.04
O=C(CC1=COC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141893	0	42	-1.0	-54.66	367.31	4.60	-50.06
O=C(CC1=COC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141893	1	42	-1.0	-54.69	367.25	4.57	-50.12
CCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141894	0	45	-1.0	-45.35	349.20	7.34	-38.01
CCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141894	1	45	-1.0	-45.35	349.26	7.36	-37.99
O=C(CN1N=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141895	0	39	-1.0	-53.17	323.45	5.01	-48.16
O=C(CN1N=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141895	1	39	-1.0	-53.13	323.39	4.99	-48.14
O=C(C1=CC=C(N2CCCC2)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141896	0	45	-1.0	-36.84	348.74	4.77	-32.07
O=C(C1=CC=C(N2CCCC2)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141896	1	45	-1.0	-36.86	348.80	4.79	-32.07
O=C(C1=CC=C(N2CCOCC2)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141897	0	46	-1.0	-39.53	362.29	3.50	-36.03
O=C(C1=CC=C(N2CCOCC2)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141897	1	46	-1.0	-39.52	362.35	3.52	-36.00
O=C(CCCC1=CC=C2NC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141898	0	46	-1.0	-54.25	373.35	3.85	-50.40
O=C(CCCC1=CC=C2NC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141898	1	46	-1.0	-54.27	373.40	3.87	-50.40
O=C(COC1=CC=CC=C1OCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141899	0	51	-1.0	-56.43	414.60	9.08	-47.35
O=C(COC1=CC=CC=C1OCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141899	1	51	-1.0	-56.39	414.65	9.10	-47.29
CC1CC2=CC=CC=C2N1CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CO1	REAL300020141900	0	52	-1.0	-46.35	392.10	6.54	-39.81
CC1CC2=CC=CC=C2N1CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CO1	REAL300020141900	1	52	-1.0	-46.38	392.15	6.56	-39.82
CC1=CC=C(N2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C3=C2CCC3)C(F)=C1	REAL300020141901	0	50	-1.0	-52.86	395.92	8.70	-44.16
CC1=CC=C(N2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C(F)=C1	REAL300020141901	1	50	-1.0	-52.87	395.98	8.72	-44.15
CCN(CC)C(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141902	0	49	-1.0	-50.23	379.63	6.11	-44.12
CCN(CC)C(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141902	1	49	-1.0	-50.22	379.68	6.14	-44.08
CCN(C)C(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141903	0	46	-1.0	-58.50	361.82	5.23	-53.27
CCN(C)C(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141903	1	46	-1.0	-58.48	361.88	5.25	-53.23
CCCN(CC)C(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141904	0	52	-1.0	-47.68	403.83	6.94	-40.74
CCCN(CC)C(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141904	1	52	-1.0	-47.66	403.89	6.96	-40.70
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020141905	0	45	-1.0	-56.48	372.60	5.09	-51.39
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020141905	1	45	-1.0	-56.51	372.66	5.11	-51.40
COC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(F)=C2)C(F)=C1	REAL300020141906	0	47	-1.0	-40.80	388.30	7.37	-33.43
COC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(F)=C2)C(F)=C1	REAL300020141906	1	47	-1.0	-40.81	388.35	7.39	-33.42
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141907	0	42	-1.0	-44.38	362.55	7.52	-36.86
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141907	1	42	-1.0	-44.37	362.61	7.55	-36.82
O=C(C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141908	0	40	-1.0	-48.30	360.30	7.18	-41.12
O=C(C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141908	1	40	-1.0	-48.31	360.24	7.15	-41.16
O=C(C1=NNC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141909	0	38	-1.0	-46.65	314.49	4.78	-41.87
O=C(C1=NNC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141909	1	38	-1.0	-46.65	314.55	4.80	-41.85
O=C(C1=CC2=C(C=CS2)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141910	0	34	-1.0	-45.60	290.96	3.95	-41.65
O=C(C1=CC2=C(C=CS2)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141910	1	34	-1.0	-45.58	291.02	3.97	-41.61
CN(C(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1)C1=CC=CC=C1	REAL300020141911	0	50	-1.0	-52.71	391.23	7.35	-45.36
CN(C(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1)C1=CC=CC=C1	REAL300020141911	1	50	-1.0	-52.69	391.28	7.37	-45.32
O=C(CCCC1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141912	0	41	-1.0	-52.58	331.75	5.24	-47.34
O=C(CCCC1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141912	1	41	-1.0	-52.56	331.80	5.27	-47.29
O=C(NC1CC1)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020141913	0	44	-1.0	-40.59	344.42	3.11	-37.48
O=C(NC1CC1)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020141913	1	44	-1.0	-40.59	344.48	3.14	-37.45
O=C(CNC1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141914	0	41	-1.0	-47.68	346.26	4.68	-43.00
O=C(CNC1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141914	1	41	-1.0	-47.64	346.32	4.71	-42.93
O=C(C1=C(OC(F)F)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141915	0	34	-1.0	-41.18	299.51	3.12	-38.06
O=C(C1=C(OC(F)F)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141915	1	34	-1.0	-41.14	299.56	3.15	-37.99
O=C(CC1=CC=CC(OC(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141916	0	40	-1.0	-51.02	333.93	5.02	-46.00
O=C(CC1=CC=CC(OC(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141916	1	40	-1.0	-51.01	333.98	5.04	-45.97
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCN(C)CC1	REAL300020141917	0	46	-1.0	-36.08	335.54	0.36	-35.72
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCN(C)CC1	REAL300020141917	1	46	-1.0	-36.10	335.60	0.39	-35.71
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CC[NH+](C)CC1	REAL300020141917	1	47	0.0	-54.80	337.57	2.66	-52.14
CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(F)=C2)C=C1C	REAL300020141918	0	49	-1.0	-40.37	389.15	9.11	-31.26
CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(F)=C2)C=C1C	REAL300020141918	1	49	-1.0	-40.39	389.21	9.13	-31.26
COCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141919	0	51	-1.0	-55.16	415.36	5.97	-49.19
COCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141919	1	51	-1.0	-55.10	415.30	5.94	-49.16
COC(=O)N(C)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141920	0	43	-1.0	-54.66	347.46	3.58	-51.08
COC(=O)N(C)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141920	1	43	-1.0	-54.66	347.52	3.61	-51.05
O=C(C1CCN(C2=CC=C3OCCOC3=C2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141921	0	50	-1.0	-52.17	389.13	4.73	-47.44
O=C(C1CCN(C2=CC=C3OCCOC3=C2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141921	1	50	-1.0	-52.18	389.18	4.75	-47.43
COC1=CC=C(NC(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141922	0	41	-1.0	-41.17	334.28	2.17	-39.00
COC1=CC=C(NC(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141922	1	41	-1.0	-41.16	334.33	2.19	-38.97
CC(C)(C)OC(=O)NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020141923	0	50	-1.0	-52.51	394.42	4.71	-47.80
CC(C)(C)OC(=O)NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020141923	1	50	-1.0	-52.51	394.47	4.73	-47.78
O=C(CNC(=O)N1CCC2=CC=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141924	0	49	-1.0	-45.87	385.24	5.20	-40.67
O=C(CNC(=O)N1CCC2=CC=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141924	1	49	-1.0	-45.89	385.30	5.22	-40.67
O=C(CCNC(=O)N1CCC2=CC=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141925	0	52	-1.0	-57.33	407.37	5.87	-51.46
O=C(CCNC(=O)N1CCC2=CC=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141925	1	52	-1.0	-57.32	407.42	5.90	-51.42
O=C(C1=CC=C(OCC(F)(F)C(F)F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141926	0	42	-1.0	-38.89	363.58	3.54	-35.35
O=C(C1=CC=C(OCC(F)(F)C(F)F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141926	1	42	-1.0	-38.88	363.52	3.51	-35.37
CC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(C3=CC=CN=C3)N=C2C=C1	REAL300020141927	0	50	-1.0	-47.59	402.05	7.32	-40.27
CC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(C3=CC=CN=C3)N=C2C=C1	REAL300020141927	1	50	-1.0	-47.60	401.99	7.29	-40.31
CN1C=C(C2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)C=N1	REAL300020141928	0	39	-1.0	-41.66	338.64	3.11	-38.55
CN1C=C(C2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)C=N1	REAL300020141928	1	39	-1.0	-41.68	338.59	3.08	-38.60
O=C(C1CC(C2=CC(F)=CC=C2F)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141929	0	41	-1.0	-57.82	343.79	6.08	-51.74
O=C(C1CC(C2=CC(F)=CC=C2F)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141929	1	41	-1.0	-57.83	343.85	6.11	-51.72
O=C(C1CC(=O)N(C2=CC=C(F)C=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141930	0	44	-1.0	-48.51	354.57	5.69	-42.82
O=C(C1CC(=O)N(C2=CC=C(F)C=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141930	1	44	-1.0	-48.53	354.62	5.71	-42.82
O=C(CN1N=CC2=C1N=CNC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141931	0	38	-1.0	-59.45	323.18	2.70	-56.75
O=C(CN1N=CC2=C1N=CNC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141931	1	38	-1.0	-59.47	323.24	2.73	-56.74
O=C(C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141932	0	41	-1.0	-43.98	362.43	4.20	-39.78
O=C(C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141932	1	41	-1.0	-43.94	362.37	4.18	-39.76
CCS(=O)(=O)NC(CCSC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141933	0	47	-1.0	-62.01	393.09	1.16	-60.85
CCS(=O)(=O)NC(CCSC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141933	1	47	-1.0	-62.02	393.14	1.18	-60.84
CC1=NC2=C(C(=O)N(C)N2)C(C)=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141934	0	51	-1.0	-51.18	401.65	5.03	-46.15
CC1=NC2=C(C(=O)N(C)N2)C(C)=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141934	1	51	-1.0	-51.19	401.71	5.05	-46.14
CC1=CC=C2OC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=N1	REAL300020141935	0	38	-1.0	-41.24	314.93	3.96	-37.28
CC1=CC=C2OC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=N1	REAL300020141935	1	38	-1.0	-41.25	314.98	3.99	-37.26
CC1=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300020141936	0	50	-1.0	-52.73	404.17	4.87	-47.86
CC1=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300020141936	1	50	-1.0	-52.76	404.22	4.89	-47.87
CN(C)C1=NC=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141937	0	40	-1.0	-43.93	343.15	4.09	-39.84
CN(C)C1=NC=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141937	1	40	-1.0	-43.92	343.09	4.07	-39.85
O=C(C1CC1C1=CC=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141938	0	40	-1.0	-49.28	352.79	7.67	-41.61
O=C(C1CC1C1=CC=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141938	1	40	-1.0	-49.25	352.85	7.69	-41.56
CSC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020141939	0	34	-1.0	-40.27	299.29	4.46	-35.81
CSC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020141939	1	34	-1.0	-40.27	299.35	4.49	-35.78
CC(C)COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141940	0	49	-1.0	-48.60	387.63	7.16	-41.44
CC(C)COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141940	1	49	-1.0	-48.63	387.69	7.18	-41.45
CC1=NNC(C)=C1C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141941	0	42	-1.0	-50.64	321.62	3.10	-47.54
CC1=NNC(C)=C1C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141941	1	42	-1.0	-50.70	321.68	3.13	-47.57
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C2C1	REAL300020141942	0	48	-1.0	-49.53	364.28	5.36	-44.17
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020141942	1	49	0.0	-46.95	364.74	7.47	-39.48
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020141942	1	49	0.0	-65.43	365.60	7.54	-57.89
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C2C1	REAL300020141942	1	48	-1.0	-49.55	364.33	5.39	-44.16
CS(=O)(=O)NC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141943	0	44	-1.0	-55.29	368.06	2.17	-53.12
CS(=O)(=O)NC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141943	1	44	-1.0	-55.25	368.11	2.19	-53.06
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141944	0	53	-1.0	-55.57	392.54	6.12	-49.45
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141944	1	53	-1.0	-55.59	392.60	6.14	-49.45
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141945	0	53	-1.0	-55.53	392.75	6.15	-49.38
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141945	1	53	-1.0	-55.57	392.81	6.18	-49.39
CCC1=CC=C(N2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C3=C2CCC3)C=C1	REAL300020141946	0	53	-1.0	-48.81	418.58	9.46	-39.35
CCC1=CC=C(N2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020141946	1	53	-1.0	-48.79	418.63	9.49	-39.30
COC1=CC=CC=C1CC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141947	0	49	-1.0	-49.25	379.14	6.82	-42.43
COC1=CC=CC=C1CC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141947	1	49	-1.0	-49.25	379.19	6.84	-42.41
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2Cl)CCOCC1	REAL300020141948	0	47	-1.0	-44.03	345.53	5.51	-38.52
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2Cl)CCOCC1	REAL300020141948	1	47	-1.0	-44.03	345.58	5.53	-38.50
O=C(CCC1=NC2=CC(Cl)=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141949	0	41	-1.0	-46.96	364.52	6.17	-40.79
O=C(CCC1=NC2=CC(Cl)=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141949	1	41	-1.0	-46.98	364.58	6.20	-40.78
O=C(C1=CC=C(CN2C=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141950	0	44	-1.0	-49.20	359.09	8.00	-41.20
O=C(C1=CC=C(CN2C=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141950	1	44	-1.0	-49.23	359.15	8.03	-41.20
O=C(C1=CN=C(C2=CC=CO2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141951	0	36	-1.0	-40.87	318.13	3.48	-37.39
O=C(C1=CN=C(C2=CC=CO2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141951	1	36	-1.0	-40.87	318.07	3.46	-37.41
N#CCN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=CC=CC=C21	REAL300020141952	0	41	-1.0	-49.02	339.13	6.58	-42.44
N#CCN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C21	REAL300020141952	1	41	-1.0	-49.00	339.19	6.61	-42.39
CC1=CC(C)=C(C)C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141953	0	49	-1.0	-46.87	383.73	7.03	-39.84
CC1=CC(C)=C(C)C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141953	1	49	-1.0	-46.86	383.79	7.06	-39.80
O=C(C1=CC=C(N2CCCCCC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141954	0	50	-1.0	-38.40	372.25	5.55	-32.85
O=C(C1=CC=C(N2CCCCCC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141954	1	50	-1.0	-38.37	372.20	5.52	-32.85
O=C(CCC1=CC(Br)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141955	0	36	-1.0	-44.63	327.76	5.96	-38.67
O=C(CCC1=CC(Br)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141955	1	36	-1.0	-44.64	327.82	5.98	-38.66
CCC(CC)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020141956	0	48	-1.0	-48.95	379.33	7.73	-41.22
CCC(CC)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020141956	1	48	-1.0	-48.93	379.39	7.75	-41.18
N#CC1=C(F)C=CC=C1OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020141957	0	45	-1.0	-52.54	384.07	7.66	-44.88
N#CC1=C(F)C=CC=C1OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020141957	1	45	-1.0	-52.55	384.13	7.69	-44.86
O=C(CC1=CC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141958	0	36	-1.0	-47.34	312.32	5.92	-41.42
O=C(CC1=CC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141958	1	36	-1.0	-47.35	312.38	5.94	-41.41
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Cl	REAL300020141959	0	42	-1.0	-43.61	319.44	6.18	-37.43
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Cl	REAL300020141959	1	42	-1.0	-43.69	319.50	6.20	-37.49
CC1=C2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CNC2=CC=C1	REAL300020141960	0	43	-1.0	-51.06	340.82	5.89	-45.17
CC1=C2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CNC2=CC=C1	REAL300020141960	1	43	-1.0	-51.06	340.88	5.91	-45.15
O=C(C1=CN=C(C2CC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141961	0	36	-1.0	-44.44	308.15	4.00	-40.44
O=C(C1=CN=C(C2CC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141961	1	36	-1.0	-44.44	308.20	4.03	-40.41
CN1N=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020141962	0	38	-1.0	-46.89	314.69	2.92	-43.97
CN1N=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020141962	1	38	-1.0	-46.87	314.63	2.90	-43.97
CCOC1=CC2=C(C=C1C1CC1C(=O)N1CCCC(C3=N[N-]N=N3)C1)OC(C)C2	REAL300020141963	0	55	-1.0	-52.40	420.88	7.54	-44.86
CCOC1=CC2=C(C=C1C1CC1C(=O)N1CCCC(C3=NN=N[N-]3)C1)OC(C)C2	REAL300020141963	1	55	-1.0	-52.38	420.94	7.57	-44.81
COC1=CC=CC=C1CC(C)=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141964	0	47	-1.0	-38.78	368.27	7.00	-31.78
COC1=CC=CC=C1CC(C)=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141964	1	47	-1.0	-38.78	368.32	7.02	-31.76
O=C(C1=CC=C(C2=CC=C(Cl)C=C2)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141965	0	43	-1.0	-39.22	367.48	8.42	-30.80
O=C(C1=CC=C(C2=CC=C(Cl)C=C2)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141965	1	43	-1.0	-39.27	367.54	8.45	-30.82
CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(F)=C2)C=C1	REAL300020141966	0	46	-1.0	-40.42	371.96	8.58	-31.84
CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(F)=C2)C=C1	REAL300020141966	1	46	-1.0	-40.40	372.02	8.61	-31.79
COC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(F)=C2)C=C1	REAL300020141967	0	47	-1.0	-41.28	380.00	7.21	-34.07
COC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(F)=C2)C=C1	REAL300020141967	1	47	-1.0	-41.27	380.06	7.24	-34.03
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020141968	0	48	-1.0	-48.07	392.66	5.33	-42.74
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020141968	1	48	-1.0	-48.05	392.72	5.35	-42.70
O=C(C1=CC=CC2=C1OCC(=O)N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141969	0	39	-1.0	-41.75	320.83	1.88	-39.87
O=C(C1=CC=CC2=C1OCC(=O)N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141969	1	39	-1.0	-41.76	320.89	1.90	-39.86
CC(=O)C1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141970	0	35	-1.0	-41.52	303.62	3.89	-37.63
CC(=O)C1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141970	1	35	-1.0	-41.48	303.68	3.91	-37.57
O=C(C1=CC(Br)=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141971	0	39	-1.0	-45.90	336.83	7.31	-38.59
O=C(C1=CC(Br)=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141971	1	39	-1.0	-45.89	336.89	7.34	-38.55
O=C(C1=CC=C(N2C=CC=N2)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141972	0	40	-1.0	-53.03	333.16	5.82	-47.21
O=C(C1=CC=C(N2C=CC=N2)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141972	1	40	-1.0	-53.05	333.10	5.79	-47.26
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC=C1Cl	REAL300020141973	0	42	-1.0	-50.47	355.35	5.81	-44.66
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC=C1Cl	REAL300020141973	1	42	-1.0	-50.48	355.40	5.83	-44.65
O=C(C(SC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141974	0	47	-1.0	-46.33	399.03	9.47	-36.86
O=C(C(SC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141974	1	47	-1.0	-46.31	399.09	9.50	-36.81
COC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020141975	0	43	-1.0	-46.03	321.08	4.88	-41.15
COC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020141975	1	43	-1.0	-46.05	321.13	4.91	-41.14
CC1=CC=C2C(=C1)SC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2Cl	REAL300020141976	0	39	-1.0	-39.95	343.06	7.01	-32.94
CC1=CC=C2C(=C1)SC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2Cl	REAL300020141976	1	39	-1.0	-39.91	343.12	7.04	-32.87
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=NN1C	REAL300020141977	0	40	-1.0	-46.02	332.16	1.80	-44.22
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=NN1C	REAL300020141977	1	40	-1.0	-45.98	332.21	1.83	-44.15
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020141978	0	49	-1.0	-47.46	402.84	2.75	-44.71
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020141978	1	49	-1.0	-47.45	402.90	2.77	-44.68
O=CC1=CC=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020141979	0	39	-1.0	-59.43	326.84	5.07	-54.36
O=CC1=CC=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020141979	1	39	-1.0	-59.44	326.90	5.10	-54.34
CN1C(=O)CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1C1=CC=CC=C1	REAL300020141980	0	50	-1.0	-57.71	372.81	6.50	-51.21
CN1C(=O)CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1C1=CC=CC=C1	REAL300020141980	1	50	-1.0	-57.70	372.87	6.53	-51.17
CN(C(=O)C1=CC=CO1)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141981	0	47	-1.0	-59.03	381.72	6.58	-52.45
CN(C(=O)C1=CC=CO1)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141981	1	47	-1.0	-58.99	381.78	6.60	-52.39
COC1=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCC2)=CC=C1C	REAL300020141982	0	53	-1.0	-46.22	387.82	7.38	-38.84
COC1=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCC2)=CC=C1C	REAL300020141982	1	53	-1.0	-46.24	387.87	7.41	-38.83
CC1=CC=C(N2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C3=C2CCCC3)C=C1	REAL300020141983	0	53	-1.0	-49.12	408.39	9.08	-40.04
CC1=CC=C(N2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C3=C2CCCC3)C=C1	REAL300020141983	1	53	-1.0	-49.08	408.45	9.11	-39.97
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC2=CN=CC=C21	REAL300020141984	0	47	-1.0	-48.64	378.98	5.83	-42.81
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC2=CN=CC=C21	REAL300020141984	1	47	-1.0	-48.68	378.92	5.80	-42.88
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020141985	0	37	-1.0	-38.56	314.56	4.23	-34.33
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020141985	1	37	-1.0	-38.57	314.62	4.25	-34.32
O=C(C1=CC=C(OC2=CC=C(F)C=C2F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141986	0	44	-1.0	-47.65	370.93	7.41	-40.24
O=C(C1=CC=C(OC2=CC=C(F)C=C2F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141986	1	44	-1.0	-47.67	370.99	7.43	-40.24
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC2=NC=CC=C12	REAL300020141987	0	47	-1.0	-49.45	378.85	5.71	-43.74
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC2=NC=CC=C12	REAL300020141987	1	47	-1.0	-49.53	378.80	5.68	-43.85
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300020141988	0	52	-1.0	-43.77	408.30	6.01	-37.76
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300020141988	1	52	-1.0	-43.77	408.36	6.04	-37.73
O=C(C1=CSC(C2=CC=C3OCCOC3=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141989	0	45	-1.0	-47.03	378.99	5.24	-41.79
O=C(C1=CSC(C2=CC=C3OCCOC3=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141989	1	45	-1.0	-46.98	378.93	5.21	-41.77
COC(=O)N[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020141990	0	43	-1.0	-43.22	326.13	1.08	-42.14
COC(=O)N[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020141990	1	43	-1.0	-43.21	326.19	1.10	-42.11
CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020141991	0	43	-1.0	-45.91	341.82	5.41	-40.50
CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020141991	1	43	-1.0	-45.92	341.87	5.44	-40.48
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2Cl)=N1	REAL300020141992	0	43	-1.0	-50.28	361.25	6.39	-43.89
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2Cl)=N1	REAL300020141992	1	43	-1.0	-50.26	361.19	6.37	-43.89
COC1=CC=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCC2)=C1	REAL300020141993	0	50	-1.0	-45.39	367.69	6.64	-38.75
COC1=CC=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCC2)=C1	REAL300020141993	1	50	-1.0	-45.39	367.74	6.66	-38.73
O=C(C1=CC=CC(OC2CCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141994	0	47	-1.0	-46.70	364.27	6.63	-40.07
O=C(C1=CC=CC(OC2CCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141994	1	47	-1.0	-46.69	364.33	6.66	-40.03
CC(C)(C)OC(=O)NCCOCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141995	0	50	-1.0	-54.96	395.70	2.66	-52.30
CC(C)(C)OC(=O)NCCOCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141995	1	50	-1.0	-54.96	395.76	2.69	-52.27
CC(C)(C)OC(=O)N(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300020141996	0	49	-1.0	-56.70	389.88	5.68	-51.02
CC(C)(C)OC(=O)N(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020141996	1	49	-1.0	-56.75	389.93	5.70	-51.05
CC(OC1=CC=CC=C1Br)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141997	0	40	-1.0	-52.55	337.02	6.32	-46.23
CC(OC1=CC=CC=C1Br)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141997	1	40	-1.0	-52.47	337.08	6.34	-46.13
O=C(CN1N=CN2N=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141998	0	38	-1.0	-55.60	322.97	3.59	-52.01
O=C(CN1N=CN2N=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141998	1	38	-1.0	-55.60	323.02	3.61	-51.99
O=C(CC1CCC2=CC=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141999	0	46	-1.0	-48.91	352.82	7.85	-41.06
O=C(CC1CCC2=CC=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141999	1	46	-1.0	-48.91	352.88	7.87	-41.04
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=CC=C1	REAL300020142000	0	44	-1.0	-44.61	351.94	6.59	-38.02
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=CC=C1	REAL300020142000	1	44	-1.0	-44.61	352.00	6.62	-37.99
O=C(C1=C(C2=CC=CC=C2)OC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142001	0	39	-1.0	-48.70	325.15	2.79	-45.91
O=C(C1=C(C2=CC=CC=C2)OC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142001	1	39	-1.0	-48.68	325.10	2.77	-45.91
CC(C)COC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142002	0	46	-1.0	-41.24	362.96	6.39	-34.85
CC(C)COC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142002	1	46	-1.0	-41.28	363.02	6.41	-34.87
CCOC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020142003	0	39	-1.0	-42.23	335.55	2.71	-39.52
CCOC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020142003	1	39	-1.0	-42.24	335.49	2.68	-39.56
CS(=O)(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142004	0	38	-1.0	-62.51	319.82	0.80	-61.71
CS(=O)(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142004	1	38	-1.0	-62.51	319.88	0.83	-61.68
CCCC(CC1CCCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142005	0	54	-1.0	-46.09	387.52	7.97	-38.12
CCCC(CC1CCCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142005	1	54	-1.0	-46.07	387.58	7.99	-38.08
O=C(CC1CCCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142006	0	46	-1.0	-45.72	348.92	7.70	-38.02
O=C(CC1CCCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142006	1	46	-1.0	-45.69	348.98	7.72	-37.97
O=C(CC1CCC(C2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142007	0	52	-1.0	-46.65	384.73	8.96	-37.69
O=C(CC1CCC(C2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142007	1	52	-1.0	-46.71	384.79	8.99	-37.72
CCC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020142008	0	48	-1.0	-46.42	358.11	7.32	-39.10
CCC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020142008	1	48	-1.0	-46.44	358.17	7.34	-39.10
CC1(C)CCC(C)(C)C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020142009	0	55	-1.0	-46.13	399.49	8.59	-37.54
CC1(C)CCC(C)(C)C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020142009	1	55	-1.0	-46.15	399.54	8.61	-37.54
O=C(CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142010	0	42	-1.0	-46.33	367.29	7.02	-39.31
O=C(CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142010	1	42	-1.0	-46.29	367.35	7.05	-39.24
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N(C)C1=O	REAL300020142011	0	39	-1.0	-48.74	317.05	2.74	-46.00
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N(C)C1=O	REAL300020142011	1	39	-1.0	-48.80	317.11	2.76	-46.04
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142012	0	40	-1.0	-51.60	339.04	6.28	-45.32
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142012	1	40	-1.0	-51.62	339.10	6.30	-45.32
CN1C(=O)C(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020142013	0	37	-1.0	-51.83	319.65	1.71	-50.12
CN1C(=O)C(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020142013	1	37	-1.0	-51.83	319.71	1.73	-50.10
O=C(CCCCCNC(=O)NC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142014	0	60	-1.0	-52.41	458.55	5.34	-47.07
O=C(CCCCCNC(=O)NC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142014	1	60	-1.0	-52.38	458.61	5.37	-47.01
CN1C(=O)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1C1=CC=CC(Cl)=C1	REAL300020142015	0	47	-1.0	-47.75	379.12	6.47	-41.28
CN1C(=O)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1C1=CC=CC(Cl)=C1	REAL300020142015	1	47	-1.0	-47.74	379.17	6.50	-41.24
CC(=O)NCC(=O)N1CCC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020142016	0	51	-1.0	-50.34	405.37	3.68	-46.66
CC(=O)NCC(=O)N1CCC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020142016	1	51	-1.0	-50.38	405.43	3.71	-46.67
COC1=C(OC)C=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020142017	0	45	-1.0	-47.02	359.51	4.11	-42.91
COC1=C(OC)C=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020142017	1	45	-1.0	-47.03	359.57	4.14	-42.89
O=C(CC1=CC=C(Br)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142018	0	33	-1.0	-46.96	306.60	5.29	-41.67
O=C(CC1=CC=C(Br)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142018	1	33	-1.0	-46.94	306.66	5.32	-41.62
O=C(CCCN1C=CC=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142019	0	42	-1.0	-58.91	341.40	5.33	-53.58
O=C(CCCN1C=CC=CC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142019	1	42	-1.0	-58.90	341.46	5.35	-53.55
COC1=CC=C(S(=O)(=O)CC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142020	0	49	-1.0	-44.41	398.57	3.11	-41.30
COC1=CC=C(S(=O)(=O)CC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142020	1	49	-1.0	-44.45	398.63	3.14	-41.31
O=C(C1=CC=CC(N2C=CC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142021	0	40	-1.0	-49.33	328.94	5.67	-43.66
O=C(C1=CC=CC(N2C=CC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142021	1	40	-1.0	-49.32	328.88	5.64	-43.68
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCCC1	REAL300020142022	0	48	0.0	-59.63	334.94	5.50	-54.13
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)[NH+]1CCCCCC1	REAL300020142022	1	48	0.0	-59.64	334.88	5.48	-54.16
O=C(CC1=CC=C(Cl)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142023	0	35	-1.0	-49.93	306.44	4.10	-45.83
O=C(CC1=CC=C(Cl)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142023	1	35	-1.0	-49.89	306.38	4.07	-45.82
COCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142024	0	44	-1.0	-48.20	355.42	3.95	-44.25
COCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142024	1	44	-1.0	-48.20	355.47	3.98	-44.22
CCN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300020142025	0	38	-1.0	-43.18	312.43	2.95	-40.23
CCN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300020142025	1	38	-1.0	-43.20	312.49	2.98	-40.22
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142026	0	49	-1.0	-45.36	382.02	4.04	-41.32
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142026	1	49	-1.0	-45.32	382.08	4.07	-41.25
CC(=O)C1=CC=C(S(=O)(=O)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020142027	0	44	-1.0	-63.87	379.48	3.02	-60.85
CC(=O)C1=CC=C(S(=O)(=O)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020142027	1	44	-1.0	-63.87	379.53	3.05	-60.82
CC1=CC(OC(F)F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142028	0	37	-1.0	-41.45	321.83	3.82	-37.63
CC1=CC(OC(F)F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020142028	1	37	-1.0	-41.45	321.89	3.84	-37.61
CC1CCCCC1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142029	0	46	-1.0	-49.83	348.85	6.21	-43.62
CC1CCCCC1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142029	1	46	-1.0	-49.82	348.91	6.24	-43.58
CC(CSC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142030	0	43	-1.0	-45.62	352.01	7.14	-38.48
CC(CSC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142030	1	43	-1.0	-45.59	352.06	7.16	-38.43
O=C(CC1=CC=CC=C1OC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142031	0	40	-1.0	-50.41	332.74	5.07	-45.34
O=C(CC1=CC=CC=C1OC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142031	1	40	-1.0	-50.40	332.80	5.10	-45.30
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142032	0	52	-1.0	-44.13	407.20	5.88	-38.25
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142032	1	52	-1.0	-44.16	407.25	5.90	-38.26
CC(C)C1=CC=C2C(=C1)SC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2Cl	REAL300020142033	0	45	-1.0	-39.39	381.67	8.27	-31.12
CC(C)C1=CC=C2C(=C1)SC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2Cl	REAL300020142033	1	45	-1.0	-39.36	381.72	8.30	-31.06
CC1CCC(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)CC1	REAL300020142034	0	53	-1.0	-48.10	396.29	6.31	-41.79
CC1CCC(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)CC1	REAL300020142034	1	53	-1.0	-48.09	396.34	6.34	-41.75
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300020142035	0	43	-1.0	-47.71	360.38	3.81	-43.90
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300020142035	1	43	-1.0	-47.68	360.44	3.84	-43.84
CCC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142036	0	45	-1.0	-45.50	351.05	7.23	-38.27
CCC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142036	1	45	-1.0	-45.49	351.11	7.25	-38.24
O=C(C1=CSC(C2=COC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142037	0	36	-1.0	-46.49	317.53	4.09	-42.40
O=C(C1=CSC(C2=COC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142037	1	36	-1.0	-46.46	317.47	4.06	-42.40
O=C(C1=C(S(=O)(=O)C(F)F)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142038	0	36	-1.0	-46.94	325.18	1.75	-45.19
O=C(C1=C(S(=O)(=O)C(F)F)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142038	1	36	-1.0	-46.91	325.23	1.77	-45.14
CCCC(CC1CCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142039	0	51	-1.0	-46.04	371.17	7.53	-38.51
CCCC(CC1CCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142039	1	51	-1.0	-46.06	371.23	7.56	-38.50
CC(C)C1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCC2)C=C1	REAL300020142040	0	55	-1.0	-46.27	398.87	9.52	-36.75
CC(C)C1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCC2)C=C1	REAL300020142040	1	55	-1.0	-46.26	398.92	9.55	-36.71
CC1=CC=CC=C1N1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020142041	0	43	-1.0	-47.19	348.22	6.52	-40.67
CC1=CC=CC=C1N1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020142041	1	43	-1.0	-47.18	348.16	6.49	-40.69
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020142042	0	46	-1.0	-53.17	374.99	6.76	-46.41
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020142042	1	46	-1.0	-53.20	375.05	6.78	-46.42
COC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020142043	0	43	-1.0	-38.88	333.17	1.70	-37.18
COC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020142043	1	43	-1.0	-38.92	333.23	1.73	-37.19
COC1=CC=C(C=O)C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142044	0	43	-1.0	-60.05	354.02	5.41	-54.64
COC1=CC=C(C=O)C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142044	1	43	-1.0	-60.00	354.08	5.43	-54.57
COC1=CC=CC=C1CC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142045	0	49	-1.0	-47.08	361.03	6.05	-41.03
COC1=CC=CC=C1CC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142045	1	49	-1.0	-47.10	361.09	6.08	-41.02
O=C(C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142046	0	47	-1.0	-50.14	383.40	6.97	-43.17
O=C(C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142046	1	47	-1.0	-50.14	383.46	6.99	-43.15
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC2=CC=CN=C2C=C1	REAL300020142047	0	47	-1.0	-45.67	380.37	5.53	-40.14
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC2=CC=CN=C2C=C1	REAL300020142047	1	47	-1.0	-45.67	380.31	5.51	-40.16
O=C(C=CC1=CC=C(N2CCOCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142048	0	50	-1.0	-39.79	387.21	4.74	-35.05
O=C(C=CC1=CC=C(N2CCOCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142048	1	50	-1.0	-39.81	387.27	4.77	-35.04
O=C(C1=CC=CC=C1)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142049	0	50	-1.0	-52.98	383.67	6.33	-46.65
O=C(C1=CC=CC=C1)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142049	1	50	-1.0	-53.02	383.73	6.36	-46.66
O=C(C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142050	0	44	-1.0	-46.48	370.05	7.36	-39.12
O=C(C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142050	1	44	-1.0	-46.51	370.10	7.39	-39.12
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142051	0	42	-1.0	-54.85	356.99	4.15	-50.70
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142051	1	42	-1.0	-54.86	356.93	4.12	-50.74
O=C(CC1=CC=C(Cl)C=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142052	0	36	-1.0	-46.75	329.08	6.43	-40.32
O=C(CC1=CC=C(Cl)C=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142052	1	36	-1.0	-46.72	329.14	6.45	-40.27
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1F	REAL300020142053	0	39	-1.0	-39.05	313.41	5.85	-33.20
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1F	REAL300020142053	1	39	-1.0	-39.09	313.46	5.88	-33.21
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C(F)C(Cl)=C1	REAL300020142054	0	42	-1.0	-43.48	361.90	5.71	-37.77
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C(F)C(Cl)=C1	REAL300020142054	1	42	-1.0	-43.47	361.96	5.74	-37.73
CN1C=C(C2=CN=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020142055	0	42	-1.0	-49.94	345.08	3.93	-46.01
CN1C=C(C2=CN=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020142055	1	42	-1.0	-49.95	345.14	3.96	-45.99
CC(C)(CCCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142056	0	51	-1.0	-46.81	381.90	8.18	-38.63
CC(C)(CCCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142056	1	51	-1.0	-46.81	381.96	8.21	-38.60
O=C(C1=CC=C(N2CCC(O)CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142057	0	49	-1.0	-47.38	373.76	2.32	-45.06
O=C(C1=CC=C(N2CCC(O)CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142057	1	49	-1.0	-47.38	373.82	2.35	-45.03
CC(C)C1=NC=CN1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142058	0	45	-1.0	-45.53	358.31	5.85	-39.68
CC(C)C1=NC=CN1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142058	1	45	-1.0	-45.54	358.37	5.88	-39.66
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142058	1	46	0.0	-61.33	355.69	6.33	-55.00
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142058	1	46	0.0	-61.32	355.75	6.36	-54.96
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020142059	0	48	0.0	-58.48	372.24	6.92	-51.56
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020142059	1	48	0.0	-58.50	372.29	6.95	-51.55
CC(C)(C)CNC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142060	0	52	-1.0	-49.49	405.81	5.80	-43.69
CC(C)(C)CNC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142060	1	52	-1.0	-49.52	405.87	5.82	-43.70
CC(C)(C)CC1=NC(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=NO1	REAL300020142061	0	53	-1.0	-52.98	419.53	6.40	-46.58
CC(C)(C)CC1=NC(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=NO1	REAL300020142061	1	53	-1.0	-52.97	419.47	6.37	-46.60
CN(CC(C)(C)C)C(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142062	0	55	-1.0	-57.86	410.42	7.10	-50.76
CN(CC(C)(C)C)C(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142062	1	55	-1.0	-57.90	410.47	7.13	-50.77
COC1=CC=CC(F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142063	0	37	-1.0	-52.17	309.80	4.00	-48.17
COC1=CC=CC(F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142063	1	37	-1.0	-52.14	309.86	4.03	-48.11
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CN(C)N=C2)=N1	REAL300020142064	0	42	-1.0	-42.33	358.13	3.82	-38.51
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CN(C)N=C2)=N1	REAL300020142064	1	42	-1.0	-42.30	358.07	3.79	-38.51
O=CNC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142065	0	37	-1.0	-55.04	304.06	2.58	-52.46
O=CNC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142065	1	37	-1.0	-55.05	304.12	2.60	-52.45
O=C(C1=CC(I)=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142066	0	31	-1.0	-46.33	282.35	3.84	-42.49
O=C(C1=CC(I)=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142066	1	31	-1.0	-46.32	282.41	3.87	-42.45
COC1=CC=C(C2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC(=O)N2C)C=C1	REAL300020142067	0	54	-1.0	-49.08	413.06	5.75	-43.33
COC1=CC=C(C2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC(=O)N2C)C=C1	REAL300020142067	1	54	-1.0	-49.10	413.12	5.78	-43.32
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142068	0	54	-1.0	-43.61	397.43	4.67	-38.94
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142068	1	54	-1.0	-43.60	397.49	4.69	-38.91
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020142069	0	42	-1.0	-49.04	329.20	6.44	-42.60
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020142069	1	42	-1.0	-49.05	329.26	6.46	-42.59
O=C(C1=CC=NC=C1)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142070	0	49	-1.0	-48.92	378.05	4.56	-44.36
O=C(C1=CC=NC=C1)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142070	1	49	-1.0	-48.85	377.99	4.53	-44.32
CCN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020142071	0	49	-1.0	-52.42	376.66	5.36	-47.06
CCN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020142071	1	49	-1.0	-52.44	376.72	5.38	-47.06
CC(C)(C)OC(=O)N1CCOCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142072	0	51	-1.0	-52.90	383.88	3.74	-49.16
CC(C)(C)OC(=O)N1CCOCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142072	1	51	-1.0	-52.91	383.94	3.76	-49.15
CC1=NN=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)O1	REAL300020142073	0	41	-1.0	-49.27	343.37	1.11	-48.16
CC1=NN=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)O1	REAL300020142073	1	41	-1.0	-49.26	343.42	1.14	-48.12
O=C(CC1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142074	0	38	-1.0	-52.47	322.89	6.11	-46.36
O=C(CC1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142074	1	38	-1.0	-52.48	322.95	6.13	-46.35
CC1=NNC(C)=C1CC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142075	0	45	-1.0	-46.85	344.45	3.83	-43.02
CC1=NNC(C)=C1CC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142075	1	45	-1.0	-46.84	344.50	3.86	-42.98
CC(C)(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020142076	0	41	-1.0	-42.42	328.79	5.04	-37.38
CC(C)(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020142076	1	41	-1.0	-42.39	328.73	5.01	-37.38
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020142077	0	40	-1.0	-45.61	318.29	4.34	-41.27
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020142077	1	40	-1.0	-45.62	318.35	4.36	-41.26
COC1=CC=C2SC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020142078	0	43	-1.0	-40.61	352.91	5.79	-34.82
COC1=CC=C2SC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020142078	1	43	-1.0	-40.65	352.96	5.81	-34.84
CC1=NC(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=NN1	REAL300020142079	0	42	-1.0	-49.52	347.58	5.17	-44.35
CC1=NC(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=NN1	REAL300020142079	1	42	-1.0	-49.49	347.64	5.19	-44.30
O=C(C1=CC(C2=CC=CC=C2)=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142080	0	39	-1.0	-43.79	331.48	5.64	-38.15
O=C(C1=CC(C2=CC=CC=C2)=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142080	1	39	-1.0	-43.76	331.42	5.62	-38.14
O=C(C1=C(F)C=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142081	0	33	-1.0	-45.47	293.19	4.75	-40.72
O=C(C1=C(F)C=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142081	1	33	-1.0	-45.47	293.25	4.78	-40.69
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142082	0	38	-1.0	-57.82	315.90	6.58	-51.24
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142082	1	38	-1.0	-57.81	315.96	6.60	-51.21
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142083	0	46	-1.0	-45.40	381.76	5.30	-40.10
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142083	1	46	-1.0	-45.41	381.81	5.32	-40.09
O=C(NCC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142084	0	40	-1.0	-41.06	336.81	2.97	-38.09
O=C(NCC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142084	1	40	-1.0	-41.03	336.87	2.99	-38.04
O=C(C1=NNC(=O)C=C1)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142085	0	49	-1.0	-56.66	379.26	3.76	-52.90
O=C(C1=NNC(=O)C=C1)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142085	1	49	-1.0	-56.70	379.31	3.79	-52.91
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCCC1=O	REAL300020142086	0	43	-1.0	-43.20	331.41	5.48	-37.72
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCCC1=O	REAL300020142086	1	43	-1.0	-43.19	331.47	5.51	-37.68
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(C2=CC=CC=C2)=N1	REAL300020142087	0	42	-1.0	-43.30	345.28	3.99	-39.31
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(C2=CC=CC=C2)=N1	REAL300020142087	1	42	-1.0	-43.30	345.23	3.97	-39.33
CC(C)C(CC1CCCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142088	0	54	-1.0	-45.66	379.46	7.77	-37.89
CC(C)C(CC1CCCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142088	1	54	-1.0	-45.69	379.52	7.80	-37.89
CCN1N=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020142089	0	39	-1.0	-44.12	336.90	4.25	-39.87
CCN1N=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020142089	1	39	-1.0	-44.11	336.96	4.27	-39.84
CC(C)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1F	REAL300020142090	0	48	-1.0	-53.71	391.26	7.61	-46.10
CC(C)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1F	REAL300020142090	1	48	-1.0	-53.72	391.32	7.64	-46.08
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142091	0	45	0.0	-72.40	358.74	5.46	-66.94
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142091	1	45	0.0	-72.39	358.68	5.43	-66.96
COC1=CC=CC(NC2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142092	0	49	-1.0	-49.83	389.33	6.35	-43.48
COC1=CC=CC(NC2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142092	1	49	-1.0	-49.85	389.39	6.38	-43.47
O=C(C1=CC=C(C2=CC=CC=C2)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142093	0	41	-1.0	-39.37	332.05	6.30	-33.07
O=C(C1=CC=C(C2=CC=CC=C2)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142093	1	41	-1.0	-39.37	332.10	6.33	-33.04
O=C(C1CC1C1=C(F)C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142094	0	40	-1.0	-46.63	326.24	6.70	-39.93
O=C(C1CC1C1=C(F)C=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142094	1	40	-1.0	-46.66	326.29	6.73	-39.93
CC1=NN(CCCl)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142095	0	42	-1.0	-45.53	357.81	4.94	-40.59
CC1=NN(CCCl)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142095	1	42	-1.0	-45.49	357.86	4.97	-40.52
CC1=CC=C(N2C=CN=C2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142096	0	43	-1.0	-52.78	349.05	7.43	-45.35
CC1=CC=C(N2C=CN=C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142096	1	43	-1.0	-52.75	349.10	7.45	-45.30
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC1=CC=NC=C1	REAL300020142097	0	46	-1.0	-50.69	372.16	6.20	-44.49
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC1=CC=NC=C1	REAL300020142097	1	46	-1.0	-50.71	372.22	6.22	-44.49
N#CC1=CC=C(OCC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020142098	0	48	-1.0	-51.10	402.66	8.12	-42.98
N#CC1=CC=C(OCC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020142098	1	48	-1.0	-51.10	402.72	8.15	-42.95
CC1=NN(C)C=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142099	0	42	-1.0	-48.64	339.56	4.58	-44.06
CC1=NN(C)C=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142099	1	42	-1.0	-48.62	339.61	4.61	-44.01
O=C(C1=C(C2CCCO2)OC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142100	0	40	-1.0	-47.04	320.38	1.46	-45.58
O=C(C1=C(C2CCCO2)OC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142100	1	40	-1.0	-47.07	320.33	1.43	-45.64
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(F)=C1	REAL300020142101	0	42	-1.0	-46.88	335.94	6.77	-40.11
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(F)=C1	REAL300020142101	1	42	-1.0	-46.87	336.00	6.80	-40.07
CCC(CC1CCCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142102	0	51	-1.0	-45.26	372.01	7.43	-37.83
CCC(CC1CCCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142102	1	51	-1.0	-45.24	372.07	7.45	-37.79
CCC(CC1=CC=CC(Br)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142103	0	45	-1.0	-45.22	366.46	7.61	-37.61
CCC(CC1=CC=CC(Br)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142103	1	45	-1.0	-45.22	366.52	7.63	-37.59
CC1=NC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020142104	0	38	-1.0	-45.93	322.32	3.97	-41.96
CC1=NC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020142104	1	38	-1.0	-45.97	322.37	4.00	-41.97
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142105	0	47	-1.0	-51.97	377.01	5.75	-46.22
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142105	1	47	-1.0	-51.98	377.06	5.78	-46.20
N#CCC1=CC=C(OC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020142106	0	48	-1.0	-52.15	399.66	8.43	-43.72
N#CCC1=CC=C(OC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020142106	1	48	-1.0	-52.15	399.72	8.45	-43.70
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1C	REAL300020142107	0	43	-1.0	-44.43	340.35	7.21	-37.22
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C	REAL300020142107	1	43	-1.0	-44.44	340.40	7.24	-37.20
O=C(C=CC1=CSC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142108	0	34	-1.0	-36.22	315.23	5.62	-30.60
O=C(C=CC1=CSC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142108	1	34	-1.0	-36.18	315.28	5.64	-30.54
CN(C)S(=O)(=O)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020142109	0	41	-1.0	-45.33	349.31	1.57	-43.76
CN(C)S(=O)(=O)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020142109	1	41	-1.0	-45.32	349.36	1.60	-43.72
O=C(CC1CCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142110	0	43	-1.0	-45.68	336.06	7.20	-38.48
O=C(CC1CCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142110	1	43	-1.0	-45.66	336.12	7.22	-38.44
CC1CCCC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142111	0	46	-1.0	-49.21	352.00	6.09	-43.12
CC1CCCC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142111	1	46	-1.0	-49.23	352.06	6.12	-43.11
O=C(C1=CC(Cl)=NC(N2CCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142112	0	44	-1.0	-35.41	360.74	4.81	-30.60
O=C(C1=CC(Cl)=NC(N2CCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142112	1	44	-1.0	-35.38	360.69	4.78	-30.60
CC1=CC=CC=C1C(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142113	0	45	-1.0	-45.06	347.00	7.22	-37.84
CC1=CC=CC=C1C(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142113	1	45	-1.0	-45.06	347.06	7.25	-37.81
CC(NS(C)(=O)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142114	0	37	-1.0	-44.67	305.02	-1.72	-46.39
CC(NS(C)(=O)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142114	1	37	-1.0	-44.67	305.07	-1.69	-46.36
O=C(C1=CSC(C2=CC=C(O)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142115	0	40	-1.0	-46.84	345.39	3.21	-43.63
O=C(C1=CSC(C2=CC=C(O)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142115	1	40	-1.0	-46.87	345.45	3.23	-43.64
O=C(C1=CC=CC=C1OC1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142116	0	44	-1.0	-51.62	347.60	6.33	-45.29
O=C(C1=CC=CC=C1OC1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142116	1	44	-1.0	-51.62	347.66	6.36	-45.26
COC1=CC=C(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(C)O2)C=C1	REAL300020142117	0	46	-1.0	-44.07	374.58	4.28	-39.79
COC1=CC=C(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(C)O2)C=C1	REAL300020142117	1	46	-1.0	-44.07	374.52	4.25	-39.82
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(Cl)C=C2)CC2CCC1C2	REAL300020142118	0	53	-1.0	-50.39	392.34	9.76	-40.63
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(Cl)C=C2)CC2CCC1C2	REAL300020142118	1	53	-1.0	-50.40	392.40	9.79	-40.61
O=C(CCNC(=O)C1=NC=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142119	0	43	-1.0	-57.44	357.21	0.74	-56.70
O=C(CCNC(=O)C1=NC=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142119	1	43	-1.0	-57.44	357.27	0.76	-56.68
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142119	1	42	-2.0	-107.61	353.65	1.74	-105.87
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142119	1	42	-2.0	-107.66	353.70	1.76	-105.90
CC1=CC(F)=CC=C1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020142120	0	46	-1.0	-46.69	378.59	8.64	-38.05
CC1=CC(F)=CC=C1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020142120	1	46	-1.0	-46.69	378.64	8.67	-38.02
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020142121	0	35	-1.0	-41.95	317.99	5.05	-36.90
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020142121	1	35	-1.0	-41.96	318.05	5.07	-36.89
O=C(C1=CC=CC(OC2=CC=NC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142122	0	43	-1.0	-49.76	354.34	5.57	-44.19
O=C(C1=CC=CC(OC2=CC=NC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142122	1	43	-1.0	-49.79	354.40	5.59	-44.20
O=C(C1CSC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142123	0	38	-1.0	-46.37	314.41	6.04	-40.33
O=C(C1CSC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142123	1	38	-1.0	-46.36	314.47	6.07	-40.29
O=C(C1CCS(=O)(=O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142124	0	39	-1.0	-42.04	314.30	0.88	-41.16
O=C(C1CCS(=O)(=O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142124	1	39	-1.0	-42.12	314.36	0.91	-41.21
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020142125	0	36	-1.0	-50.36	314.44	0.25	-50.11
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020142125	1	36	-1.0	-50.35	314.50	0.28	-50.07
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142126	0	43	-1.0	-42.06	343.29	5.64	-36.42
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142126	1	43	-1.0	-42.05	343.35	5.67	-36.38
CC(CC1CCCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142127	0	48	-1.0	-44.93	353.07	6.82	-38.11
CC(CC1CCCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142127	1	48	-1.0	-44.92	353.13	6.84	-38.08
CC1=CC=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1C	REAL300020142128	0	43	-1.0	-45.39	338.53	6.07	-39.32
CC1=CC=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1C	REAL300020142128	1	43	-1.0	-45.40	338.59	6.10	-39.30
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=CC(F)=C1	REAL300020142129	0	40	-1.0	-43.49	328.00	5.58	-37.91
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=CC(F)=C1	REAL300020142129	1	40	-1.0	-43.47	328.05	5.60	-37.87
CC1=CC=C(OCC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020142130	0	49	-1.0	-50.37	397.70	6.52	-43.85
CC1=CC=C(OCC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020142130	1	49	-1.0	-50.36	397.76	6.55	-43.81
CC1=NOC(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020142131	0	38	-1.0	-56.87	320.72	1.44	-55.43
CC1=NOC(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020142131	1	38	-1.0	-56.92	320.78	1.47	-55.45
CCC(CC1CCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142132	0	48	-1.0	-45.31	355.04	6.86	-38.45
CCC(CC1CCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142132	1	48	-1.0	-45.31	355.10	6.88	-38.43
O=C(C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142133	0	43	-1.0	-44.30	368.24	6.06	-38.24
O=C(C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142133	1	43	-1.0	-44.29	368.30	6.09	-38.20
CC1=CC=C(N2CCCC2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142134	0	48	-1.0	-48.91	369.97	6.18	-42.73
CC1=CC=C(N2CCCC2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142134	1	48	-1.0	-48.90	370.03	6.20	-42.70
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCN1C(=O)C1=CC=CC=C1	REAL300020142135	0	50	-1.0	-60.82	373.75	6.81	-54.01
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCN1C(=O)C1=CC=CC=C1	REAL300020142135	1	50	-1.0	-60.83	373.81	6.84	-53.99
CCC(OC1CCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142136	0	46	-1.0	-47.63	350.82	6.10	-41.53
CCC(OC1CCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142136	1	46	-1.0	-47.59	350.87	6.13	-41.46
CC(OC1CCCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142137	0	46	-1.0	-49.21	347.71	5.92	-43.29
CC(OC1CCCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142137	1	46	-1.0	-49.20	347.77	5.94	-43.26
CC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCOCC2)C=C1	REAL300020142138	0	50	-1.0	-46.23	367.63	5.82	-40.41
CC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCOCC2)C=C1	REAL300020142138	1	50	-1.0	-46.22	367.69	5.85	-40.37
CCC1=NC(C)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142139	0	40	-1.0	-42.35	321.53	3.66	-38.69
CCC1=NC(C)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142139	1	40	-1.0	-42.34	321.59	3.69	-38.65
O=C(C1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142140	0	47	-1.0	-49.62	387.63	7.76	-41.86
O=C(C1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142140	1	47	-1.0	-49.65	387.69	7.79	-41.86
N#CCOC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142141	0	41	-1.0	-52.61	345.39	5.44	-47.17
N#CCOC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142141	1	41	-1.0	-52.64	345.45	5.47	-47.17
CCCCCCC(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142142	0	50	-1.0	-45.92	378.02	7.37	-38.55
CCCCCCC(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142142	1	50	-1.0	-45.91	378.07	7.40	-38.51
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)S(C)(=O)=O	REAL300020142143	0	38	-1.0	-64.64	298.73	0.09	-64.55
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020142143	1	38	-1.0	-64.70	298.79	0.12	-64.58
O=C(C1=CC=CC=C1OC1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142144	0	47	-1.0	-52.61	361.22	7.61	-45.00
O=C(C1=CC=CC=C1OC1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142144	1	47	-1.0	-52.57	361.28	7.63	-44.94
O=C(CN1C(=O)CCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142145	0	44	-1.0	-52.35	349.95	6.03	-46.32
O=C(CN1C(=O)CCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142145	1	44	-1.0	-52.33	350.01	6.06	-46.27
O=C(C1CC1C1=CC=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142146	0	46	-1.0	-49.85	356.47	8.80	-41.05
O=C(C1CC1C1=CC=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142146	1	46	-1.0	-49.80	356.53	8.82	-40.98
N#CC1=CC=CC(OCCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142147	0	47	-1.0	-49.19	388.38	7.00	-42.19
N#CC1=CC=CC(OCCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142147	1	47	-1.0	-49.23	388.44	7.03	-42.20
COC1=CC=C(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142148	0	43	-1.0	-37.72	338.39	5.13	-32.59
COC1=CC=C(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142148	1	43	-1.0	-37.72	338.45	5.16	-32.56
CC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(C)C)=N1	REAL300020142149	0	43	-1.0	-42.69	342.02	4.32	-38.37
CC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(C)C)=N1	REAL300020142149	1	43	-1.0	-42.67	342.08	4.34	-38.33
CC(C)COC1=CC=C(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142150	0	55	-1.0	-45.51	405.17	7.62	-37.89
CC(C)COC1=CC=C(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142150	1	55	-1.0	-45.49	405.23	7.64	-37.85
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020142151	0	50	0.0	-65.31	376.92	4.54	-60.77
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020142151	1	50	0.0	-65.01	377.36	4.56	-60.45
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020142151	1	50	0.0	-65.29	376.98	4.56	-60.73
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020142151	1	50	0.0	-64.99	377.42	4.58	-60.41
CC1=CC=C(NC(=O)N(C)C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142152	0	48	-1.0	-46.84	379.52	5.03	-41.81
CC1=CC=C(NC(=O)N(C)C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142152	1	48	-1.0	-46.83	379.58	5.06	-41.77
CCC(SC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142153	0	43	-1.0	-46.75	349.35	7.02	-39.73
CCC(SC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142153	1	43	-1.0	-46.77	349.40	7.05	-39.72
CN(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020142154	0	40	-1.0	-45.29	319.83	4.28	-41.01
CN(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020142154	1	40	-1.0	-45.33	319.78	4.26	-41.07
CS(=O)(=O)NC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142155	0	44	-1.0	-50.04	364.54	2.22	-47.82
CS(=O)(=O)NC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142155	1	44	-1.0	-50.05	364.59	2.25	-47.80
O=C(CC1=NOC(C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142156	0	42	-1.0	-55.41	348.91	6.59	-48.82
O=C(CC1=NOC(C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142156	1	42	-1.0	-55.44	348.85	6.57	-48.87
O=C(C1=CSC(I)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142157	0	30	-1.0	-44.68	288.70	4.67	-40.01
O=C(C1=CSC(I)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142157	1	30	-1.0	-44.70	288.76	4.69	-40.01
O=C(C1=CC(F)=CC=C1N1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142158	0	46	-1.0	-46.05	364.04	3.99	-42.06
O=C(C1=CC(F)=CC=C1N1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142158	1	46	-1.0	-46.04	364.09	4.02	-42.02
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C)=C1	REAL300020142159	0	37	-1.0	-42.05	311.20	3.75	-38.30
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C)=C1	REAL300020142159	1	37	-1.0	-42.03	311.26	3.78	-38.25
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCN(C(=O)C2=CC=CC=C2)C1	REAL300020142160	0	53	-1.0	-56.98	389.26	6.54	-50.44
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCN(C(=O)C2=CC=CC=C2)C1	REAL300020142160	1	53	-1.0	-56.96	389.32	6.56	-50.40
CC1=CC=C(C2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CO2)C=C1	REAL300020142161	0	42	-1.0	-48.57	351.66	3.78	-44.79
CC1=CC=C(C2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CO2)C=C1	REAL300020142161	1	42	-1.0	-48.60	351.60	3.76	-44.84
O=C(C1CC12CCOC1=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142162	0	45	-1.0	-47.29	349.00	6.44	-40.85
O=C(C1CC12CCOC1=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142162	1	45	-1.0	-47.27	349.06	6.47	-40.80
O=C(C1=CN(C2CCCCC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142163	0	46	-1.0	-47.46	354.05	5.41	-42.05
O=C(C1=CN(C2CCCCC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142163	1	46	-1.0	-47.48	353.99	5.39	-42.09
CNC(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142164	0	40	-1.0	-58.01	326.39	2.70	-55.31
CNC(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142164	1	40	-1.0	-58.02	326.45	2.73	-55.29
CC1=CC=CC(Cl)=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142165	0	40	-1.0	-50.00	343.64	6.74	-43.26
CC1=CC=CC(Cl)=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142165	1	40	-1.0	-49.98	343.69	6.77	-43.21
CC1=C(C)N(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)S1	REAL300020142166	0	42	-1.0	-49.56	346.81	4.63	-44.93
CC1=C(C)N(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)S1	REAL300020142166	1	42	-1.0	-49.55	346.87	4.66	-44.89
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(F)=C2)CC1	REAL300020142167	0	40	-1.0	-50.76	325.26	6.34	-44.42
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(F)=C2)CC1	REAL300020142167	1	40	-1.0	-50.75	325.31	6.37	-44.38
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1CC	REAL300020142168	0	41	-1.0	-47.01	323.00	3.28	-43.73
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1CC	REAL300020142168	1	41	-1.0	-47.02	323.06	3.31	-43.71
O=C(C1CC1C1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142169	0	40	-1.0	-45.57	355.32	7.78	-37.79
O=C(C1CC1C1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142169	1	40	-1.0	-45.58	355.38	7.81	-37.77
CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142170	0	49	-1.0	-44.89	400.18	5.99	-38.90
CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142170	1	49	-1.0	-44.92	400.24	6.02	-38.90
N#CC1=CC=CC(OCC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020142171	0	48	-1.0	-51.59	402.06	8.09	-43.50
N#CC1=CC=CC(OCC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020142171	1	48	-1.0	-51.57	402.12	8.11	-43.46
O=C(CCC1=CC(Cl)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142172	0	36	-1.0	-44.64	323.17	5.85	-38.79
O=C(CCC1=CC(Cl)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142172	1	36	-1.0	-44.65	323.23	5.87	-38.78
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142173	0	52	-1.0	-49.13	406.29	6.83	-42.30
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142173	1	52	-1.0	-49.12	406.35	6.85	-42.27
CC(C)=CCOC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142174	0	47	-1.0	-45.75	371.87	6.62	-39.13
CC(C)=CCOC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142174	1	47	-1.0	-45.70	371.93	6.65	-39.05
O=C(C1=CC=CC(OC2=NC=CS2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142175	0	40	-1.0	-45.65	343.96	3.15	-42.50
O=C(C1=CC=CC(OC2=NC=CS2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142175	1	40	-1.0	-45.63	343.90	3.13	-42.50
O=C(C1=CC=CC(OC2=CN=CC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142176	0	42	-1.0	-52.03	349.04	2.89	-49.14
O=C(C1=CC=CC(OC2=CN=CC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142176	1	42	-1.0	-52.05	348.98	2.87	-49.18
O=C(C1=CC=CN=C1SCC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142177	0	52	-1.0	-39.77	409.67	8.03	-31.74
O=C(C1=CC=CN=C1SCC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142177	1	52	-1.0	-39.74	409.61	8.01	-31.73
O=C(CC1=CNC2=CC=C(F)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142178	0	40	-1.0	-52.00	333.07	5.56	-46.44
O=C(CC1=CNC2=CC=C(F)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142178	1	40	-1.0	-52.01	333.13	5.58	-46.43
N#CC1=CC=CC=C1OCC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142179	0	48	-1.0	-54.05	401.44	8.13	-45.92
N#CC1=CC=CC=C1OCC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142179	1	48	-1.0	-54.04	401.50	8.15	-45.89
CC(OC1=CC=CC(Br)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142180	0	40	-1.0	-47.62	338.42	6.30	-41.32
CC(OC1=CC=CC(Br)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142180	1	40	-1.0	-47.63	338.47	6.33	-41.30
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(F)=C1	REAL300020142181	0	39	-1.0	-49.89	316.11	5.84	-44.05
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(F)=C1	REAL300020142181	1	39	-1.0	-49.87	316.17	5.87	-44.00
O=C(CCN1C(=O)CCC2=CC(F)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142182	0	47	-1.0	-49.52	377.27	6.65	-42.87
O=C(CCN1C(=O)CCC2=CC(F)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142182	1	47	-1.0	-49.46	377.33	6.68	-42.78
O=C(C1=CNC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142183	0	31	-1.0	-39.27	275.94	2.84	-36.43
O=C(C1=CNC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142183	1	31	-1.0	-39.27	276.00	2.86	-36.41
CCC1=NC(COC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=NO1	REAL300020142184	0	48	-1.0	-49.57	394.76	4.02	-45.55
CCC1=NC(COC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=NO1	REAL300020142184	1	48	-1.0	-49.57	394.82	4.04	-45.53
O=C(CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142185	0	44	-1.0	-46.72	384.36	2.75	-43.97
O=C(CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142185	1	44	-1.0	-46.69	384.42	2.77	-43.92
COC1=CC=CC(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142186	0	37	-1.0	-50.58	319.30	4.39	-46.19
COC1=CC=CC(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142186	1	37	-1.0	-50.57	319.36	4.41	-46.16
CC(O)(CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142187	0	43	-1.0	-38.46	335.73	3.55	-34.91
CC(O)(CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142187	1	43	-1.0	-38.43	335.79	3.58	-34.85
CC(C)C1=NN(C)C(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142188	0	42	-1.0	-44.66	356.75	4.65	-40.01
CC(C)C1=NN(C)C(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142188	1	42	-1.0	-44.66	356.81	4.67	-39.99
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142189	0	50	-1.0	-54.73	414.34	-1.15	-55.88
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142189	1	50	-1.0	-54.75	414.40	-1.12	-55.87
CC(C)(NC(=O)NC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142190	0	48	-1.0	-44.97	368.38	4.19	-40.78
CC(C)(NC(=O)NC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142190	1	48	-1.0	-45.02	368.44	4.22	-40.80
O=C(CC1OCCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142191	0	44	-1.0	-49.31	343.23	6.35	-42.96
O=C(CC1OCCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142191	1	44	-1.0	-49.29	343.29	6.37	-42.92
CN1CCC(=O)NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020142192	0	46	-1.0	-51.14	356.51	2.29	-48.85
CN1CCC(=O)NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020142192	1	46	-1.0	-51.12	356.56	2.32	-48.80
CC(C)(NS(C)(=O)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142193	0	40	-1.0	-48.33	308.52	-0.84	-49.17
CC(C)(NS(C)(=O)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142193	1	40	-1.0	-48.32	308.58	-0.82	-49.14
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(SC2=CC=CC=C2)CCCC1	REAL300020142194	0	47	-1.0	-44.64	358.90	7.53	-37.11
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(SC2=CC=CC=C2)CCCC1	REAL300020142194	1	47	-1.0	-44.64	358.95	7.56	-37.08
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC(Cl)=C2)CCCC1	REAL300020142195	0	49	-1.0	-48.42	380.11	8.30	-40.12
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC(Cl)=C2)CCCC1	REAL300020142195	1	49	-1.0	-48.43	380.17	8.32	-40.11
O=C(C1=CC(N2CCNC2=O)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142196	0	43	-1.0	-51.18	357.99	3.65	-47.53
O=C(C1=CC(N2CCNC2=O)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142196	1	43	-1.0	-51.20	358.05	3.68	-47.52
O=C(CC(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142197	0	52	-1.0	-50.21	407.77	10.19	-40.02
O=C(CC(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142197	1	52	-1.0	-50.26	407.83	10.22	-40.04
COCCOCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020142198	0	47	-1.0	-49.09	384.70	4.61	-44.48
COCCOCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020142198	1	47	-1.0	-49.05	384.76	4.63	-44.42
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142199	0	50	-1.0	-52.03	400.82	0.48	-51.55
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142199	1	50	-1.0	-52.03	400.88	0.51	-51.52
O=C(C1=CC=CC(N2C=CC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142200	0	39	-1.0	-45.54	325.63	5.78	-39.76
O=C(C1=CC=CC(N2C=CC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142200	1	39	-1.0	-45.57	325.58	5.76	-39.81
CC1=CC=C(NC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)N=N1	REAL300020142201	0	46	-1.0	-61.46	372.78	5.94	-55.52
CC1=CC=C(NC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)N=N1	REAL300020142201	1	46	-1.0	-61.49	372.72	5.92	-55.57
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2F)CC1	REAL300020142202	0	40	-1.0	-51.99	324.19	6.30	-45.69
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2F)CC1	REAL300020142202	1	40	-1.0	-52.02	324.25	6.33	-45.69
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1NC(=O)NC(C)(C)C	REAL300020142203	0	54	-1.0	-60.17	411.53	4.79	-55.38
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1NC(=O)NC(C)(C)C	REAL300020142203	1	54	-1.0	-60.14	411.59	4.82	-55.32
COC1=CC=C(COCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142204	0	47	-1.0	-46.54	379.60	4.84	-41.70
COC1=CC=C(COCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142204	1	47	-1.0	-46.56	379.65	4.86	-41.70
O=C(C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142205	0	43	-1.0	-50.13	367.14	7.21	-42.92
O=C(C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142205	1	43	-1.0	-50.15	367.08	7.18	-42.97
N#CC1=CC=C(NC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020142206	0	46	-1.0	-49.31	381.97	7.14	-42.17
N#CC1=CC=C(NC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020142206	1	46	-1.0	-49.27	382.03	7.16	-42.11
O=C(C1=CC=CC(NC2=CN=CC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142207	0	43	-1.0	-47.73	349.47	3.89	-43.84
O=C(C1=CC=CC(NC2=CN=CC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142207	1	43	-1.0	-47.72	349.42	3.86	-43.86
O=C(CCSC1=CC=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142208	0	46	-1.0	-48.36	379.39	5.86	-42.50
O=C(CCSC1=CC=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142208	1	46	-1.0	-48.35	379.45	5.88	-42.47
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020142209	0	47	-1.0	-43.16	373.74	5.50	-37.66
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020142209	1	47	-1.0	-43.19	373.79	5.53	-37.66
O=C(C1=CC(N2C=CC=N2)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142210	0	39	-1.0	-45.17	323.58	4.69	-40.48
O=C(C1=CC(N2C=CC=N2)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142210	1	39	-1.0	-45.15	323.52	4.66	-40.49
O=C(C1=CC2=C(CCCCC2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142211	0	46	-1.0	-52.69	349.27	4.28	-48.41
O=C(C1=CC2=C(CCCCC2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142211	1	46	-1.0	-52.73	349.33	4.31	-48.42
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142212	0	50	-1.0	-49.41	380.85	4.61	-44.80
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142212	1	50	-1.0	-49.43	380.91	4.64	-44.79
O=C(C1=CC2=C(C=CO2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142213	0	33	-1.0	-46.09	287.87	3.76	-42.33
O=C(C1=CC2=C(C=CO2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142213	1	33	-1.0	-46.11	287.93	3.78	-42.33
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N(C)CC1=CC=CC=C1	REAL300020142214	0	47	-1.0	-37.03	354.10	4.55	-32.48
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300020142214	1	48	0.0	-65.01	363.61	7.11	-57.90
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300020142214	1	48	0.0	-65.79	363.66	7.13	-58.66
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N(C)CC1=CC=CC=C1	REAL300020142214	1	47	-1.0	-37.05	354.16	4.57	-32.48
COC1=CC=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142215	0	37	-1.0	-40.74	321.90	4.67	-36.07
COC1=CC=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142215	1	37	-1.0	-40.73	321.96	4.70	-36.03
O=C(C1=CSC(NC2=CC=CC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142216	0	40	-1.0	-42.88	341.96	5.78	-37.10
O=C(C1=CSC(NC2=CC=CC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142216	1	40	-1.0	-42.88	341.91	5.75	-37.13
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142217	0	35	-1.0	-41.59	314.83	5.60	-35.99
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142217	1	35	-1.0	-41.60	314.89	5.63	-35.97
O=C(C1=NN(C2=CC=C(F)C=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142218	0	39	-1.0	-42.45	332.59	4.74	-37.71
O=C(C1=NN(C2=CC=C(F)C=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142218	1	39	-1.0	-42.44	332.53	4.72	-37.72
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020142219	0	45	-1.0	-47.16	368.57	7.71	-39.45
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020142219	1	45	-1.0	-47.16	368.62	7.73	-39.43
CC(C)C1=CC=C(C(C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142220	0	51	-1.0	-45.09	389.77	8.63	-36.46
CC(C)C1=CC=C(C(C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142220	1	51	-1.0	-45.12	389.82	8.66	-36.46
CC(CC1=CC=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142221	0	42	-1.0	-46.13	338.22	6.65	-39.48
CC(CC1=CC=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142221	1	42	-1.0	-46.07	338.28	6.67	-39.40
CC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020142222	0	39	-1.0	-61.30	317.82	2.74	-58.56
CC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020142222	1	39	-1.0	-61.34	317.88	2.76	-58.58
O=C(CCS(=O)C1=CC=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142223	0	47	-1.0	-63.10	391.40	3.49	-59.61
O=C(CCS(=O)C1=CC=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142223	1	47	-1.0	-63.04	391.46	3.52	-59.52
O=C(C1=C(F)C=C(OC(F)F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142224	0	37	-1.0	-48.81	325.94	4.26	-44.55
O=C(C1=C(F)C=C(OC(F)F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142224	1	37	-1.0	-48.80	326.00	4.28	-44.52
CC1=C(Cl)C=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142225	0	40	-1.0	-50.94	337.71	6.49	-44.45
CC1=C(Cl)C=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142225	1	40	-1.0	-50.93	337.77	6.52	-44.41
COC1=CC=C(SCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020142226	0	48	-1.0	-48.43	393.59	5.92	-42.51
COC1=CC=C(SCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020142226	1	48	-1.0	-48.43	393.65	5.94	-42.49
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142227	0	45	-1.0	-36.62	370.21	7.58	-29.04
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142227	1	45	-1.0	-36.63	370.27	7.60	-29.03
O=C(C1=CC(=O)NC2=CC=C(F)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142228	0	39	-1.0	-48.21	330.79	3.61	-44.60
O=C(C1=CC(=O)NC2=CC=C(F)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142228	1	39	-1.0	-48.22	330.85	3.63	-44.59
CC(C)(C)OC(=O)NC(C)(C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142229	0	55	-1.0	-48.13	409.24	3.95	-44.18
CC(C)(C)OC(=O)NC(C)(C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142229	1	55	-1.0	-48.09	409.30	3.97	-44.12
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(F)=C1	REAL300020142230	0	42	-1.0	-50.49	319.06	6.00	-44.49
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(F)=C1	REAL300020142230	1	42	-1.0	-50.50	319.12	6.03	-44.47
CC(C)CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020142231	0	48	-1.0	-46.76	368.78	7.71	-39.05
CC(C)CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020142231	1	48	-1.0	-46.75	368.84	7.74	-39.01
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142232	0	45	-1.0	-36.28	369.54	7.54	-28.74
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142232	1	45	-1.0	-36.28	369.60	7.57	-28.71
O=C(C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142233	0	41	-1.0	-56.19	356.00	6.64	-49.55
O=C(C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142233	1	41	-1.0	-56.22	355.95	6.61	-49.61
O=C(C1=COC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142234	0	39	-1.0	-44.45	327.14	4.13	-40.32
O=C(C1=COC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142234	1	39	-1.0	-44.49	327.09	4.11	-40.38
CSC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020142235	0	40	-1.0	-47.26	333.42	6.42	-40.84
CSC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020142235	1	40	-1.0	-47.26	333.48	6.44	-40.82
CN(C)C(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142236	0	45	-1.0	-49.53	356.66	4.10	-45.43
CN(C)C(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142236	1	45	-1.0	-49.55	356.71	4.13	-45.42
O=C(CC1=CSC(C2=COC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142237	0	39	-1.0	-53.62	341.55	4.43	-49.19
O=C(CC1=CSC(C2=COC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142237	1	39	-1.0	-53.61	341.50	4.41	-49.20
O=C(C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142238	0	42	-1.0	-49.74	363.19	5.72	-44.02
O=C(C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142238	1	42	-1.0	-49.76	363.14	5.70	-44.06
O=C(C1=CC=C([N+](=O)[O-])C=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142239	0	35	-1.0	-45.15	314.83	5.65	-39.50
O=C(C1=CC=C([N+](=O)[O-])C=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142239	1	35	-1.0	-45.14	314.89	5.67	-39.47
O=C(C1CCCN1CC1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142240	0	47	-1.0	-49.59	367.86	4.09	-45.50
O=C(C1CCCN1CC1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142240	1	47	-1.0	-49.60	367.91	4.12	-45.48
O=C(C1=CC=CC=C1CN1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142241	0	43	-1.0	-50.89	347.61	6.11	-44.78
O=C(C1=CC=CC=C1CN1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142241	1	43	-1.0	-50.85	347.55	6.08	-44.77
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OCC1=CN(C)N=C1	REAL300020142242	0	51	-1.0	-52.69	413.73	5.42	-47.27
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OCC1=CN(C)N=C1	REAL300020142242	1	51	-1.0	-52.68	413.67	5.40	-47.28
O=C(CCC1=NC(C2=COC=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142243	0	41	-1.0	-48.25	348.97	2.87	-45.38
O=C(CCC1=NC(C2=COC=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142243	1	41	-1.0	-48.22	348.91	2.84	-45.38
O=C(C1=CC=NC(N2C=CC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142244	0	39	-1.0	-52.07	325.62	4.96	-47.11
O=C(C1=CC=NC(N2C=CC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142244	1	39	-1.0	-52.04	325.57	4.93	-47.11
O=C(C1CC2COCC(C1)C2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142245	0	43	-1.0	-50.34	324.09	3.45	-46.89
O=C(C1CC2COCC(C1)C2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142245	1	43	-1.0	-50.35	324.15	3.47	-46.88
O=C(C1=CSC(CC2=CC=CC=C2F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142246	0	42	-1.0	-45.66	363.20	6.79	-38.87
O=C(C1=CSC(CC2=CC=CC=C2F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142246	1	42	-1.0	-45.68	363.25	6.81	-38.87
CC(C)(CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142247	0	45	-1.0	-45.16	337.10	6.49	-38.67
CC(C)(CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142247	1	45	-1.0	-45.14	337.15	6.52	-38.62
O=C(CC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142248	0	38	-1.0	-50.12	336.77	6.53	-43.59
O=C(CC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142248	1	38	-1.0	-50.09	336.83	6.55	-43.54
CC(C)C(CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142249	0	48	-1.0	-44.60	355.24	7.18	-37.42
CC(C)C(CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142249	1	48	-1.0	-44.59	355.29	7.20	-37.39
CC(=O)N[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(N)=O	REAL300020142250	0	40	-1.0	-56.99	329.51	-1.82	-58.81
CC(=O)N[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(N)=O	REAL300020142250	1	40	-1.0	-56.99	329.56	-1.80	-58.79
O=C(CC1CN(CC2=CC=CC=C2)CCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142251	0	52	-1.0	-50.92	402.21	5.45	-45.47
O=C(CC1CN(CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142251	1	52	-1.0	-50.91	402.27	5.48	-45.43
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142251	1	53	0.0	-77.56	404.58	7.73	-69.83
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142251	1	53	0.0	-76.11	394.18	7.22	-68.89
O=C(C1=CC=CC=C1CN1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142252	0	49	-1.0	-46.81	377.86	3.65	-43.16
O=C(C1=CC=CC=C1CN1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142252	1	49	-1.0	-46.80	377.92	3.68	-43.12
COC1=CC=C(NC2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020142253	0	45	-1.0	-41.49	376.40	5.13	-36.36
COC1=CC=C(NC2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020142253	1	45	-1.0	-41.47	376.34	5.11	-36.36
O=C(CC1=CNC2=CC=C(Cl)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142254	0	40	-1.0	-51.08	343.38	6.00	-45.08
O=C(CC1=CNC2=CC=C(Cl)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142254	1	40	-1.0	-51.07	343.44	6.02	-45.05
O=C(C1=CC=CC(N2C=CN=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142255	0	40	-1.0	-51.06	325.87	6.80	-44.26
O=C(C1=CC=CC(N2C=CN=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142255	1	40	-1.0	-51.07	325.93	6.83	-44.24
O=C(CCSCC1=NC2=CC=CC=C2C(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142256	0	48	-1.0	-51.62	405.26	6.10	-45.52
O=C(CCSCC1=NC2=CC=CC=C2C(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142256	1	48	-1.0	-51.64	405.32	6.12	-45.52
COC1=CC=CC(CC2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC3CCC2C3)=C1	REAL300020142257	0	57	-1.0	-54.83	406.52	8.07	-46.76
COC1=CC=CC(CC2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC3CCC2C3)=C1	REAL300020142257	1	57	-1.0	-54.81	406.57	8.09	-46.72
CCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020142258	0	45	-1.0	-48.30	363.96	7.03	-41.27
CCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020142258	1	45	-1.0	-48.35	364.02	7.06	-41.29
O=C(C1=CC2=CC(F)=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142259	0	36	-1.0	-38.15	304.96	5.23	-32.92
O=C(C1=CC2=CC(F)=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142259	1	36	-1.0	-38.17	305.02	5.26	-32.91
O=C(CCCC1=NC(C2CC2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142260	0	44	-1.0	-54.45	360.53	4.13	-50.32
O=C(CCCC1=NC(C2CC2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142260	1	44	-1.0	-54.51	360.58	4.16	-50.35
CC(OC1=CC=CN=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142261	0	39	-1.0	-51.86	312.43	3.97	-47.89
CC(OC1=CC=CN=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142261	1	39	-1.0	-51.87	312.37	3.95	-47.92
CC1=CSC(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020142262	0	42	-1.0	-47.85	356.79	5.93	-41.92
CC1=CSC(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020142262	1	42	-1.0	-47.86	356.73	5.91	-41.95
O=C(CNC(C1=CC=CC=C1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142263	0	44	-1.0	-47.75	364.89	4.69	-43.06
O=C(CNC(C1=CC=CC=C1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142263	1	44	-1.0	-47.73	364.94	4.72	-43.01
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=C1CCC2	REAL300020142264	0	45	-1.0	-54.66	368.98	1.28	-53.38
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=C1CCC2	REAL300020142264	1	45	-1.0	-54.68	369.04	1.31	-53.37
O=C(CN1CCN(C2=CC=CC=N2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142265	0	49	-1.0	-49.71	376.38	3.12	-46.59
O=C(CN1CCN(C2=CC=CC=N2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142265	1	49	-1.0	-49.71	376.44	3.14	-46.57
CN(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=C(F)C=CC=C1Cl	REAL300020142266	0	44	-1.0	-44.89	353.46	5.89	-39.00
CN(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=C(F)C=CC=C1Cl	REAL300020142266	1	44	-1.0	-44.90	353.52	5.92	-38.98
C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142267	0	44	-1.0	-41.63	374.05	6.53	-35.10
C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142267	1	44	-1.0	-41.63	374.11	6.56	-35.07
CCOC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020142268	0	39	-1.0	-46.56	319.43	2.12	-44.44
CCOC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020142268	1	39	-1.0	-46.56	319.38	2.10	-44.46
CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142269	0	52	-1.0	-49.38	385.70	3.35	-46.03
CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142269	1	52	-1.0	-49.40	385.76	3.38	-46.02
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020142270	0	44	-1.0	-48.84	338.59	6.75	-42.09
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020142270	1	44	-1.0	-48.79	338.64	6.78	-42.01
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020142271	0	42	-1.0	-46.35	357.42	5.73	-40.62
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020142271	1	42	-1.0	-46.38	357.47	5.76	-40.62
O=C(C1=CC(=O)NC2=CC(F)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142272	0	39	-1.0	-44.29	330.60	3.61	-40.68
O=C(C1=CC(=O)NC2=CC(F)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142272	1	39	-1.0	-44.35	330.65	3.64	-40.71
CC1=NC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020142273	0	34	-1.0	-38.45	296.74	3.60	-34.85
CC1=NC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020142273	1	34	-1.0	-38.47	296.80	3.62	-34.85
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CC2=CC=CC=C2C1	REAL300020142274	0	41	-1.0	-45.20	323.38	3.35	-41.85
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CC2=CC=CC=C2C1	REAL300020142274	1	41	-1.0	-45.22	323.44	3.37	-41.85
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC2=C1C(=O)NC(=O)N2	REAL300020142275	0	41	-1.0	-43.54	336.51	1.42	-42.12
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC2=C1C(=O)NC(=O)N2	REAL300020142275	1	41	-1.0	-43.48	336.57	1.44	-42.04
CC(C)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC(F)=C1	REAL300020142276	0	48	-1.0	-53.36	390.19	7.54	-45.82
CC(C)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC(F)=C1	REAL300020142276	1	48	-1.0	-53.31	390.25	7.56	-45.75
O=C(C1=CC=NC(N2CCCCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142277	0	46	-1.0	-42.88	357.25	6.19	-36.69
O=C(C1=CC=NC(N2CCCCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142277	1	46	-1.0	-42.91	357.20	6.17	-36.74
CC1=NOC(C)=C1CC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142278	0	44	-1.0	-47.84	342.86	5.12	-42.72
CC1=NOC(C)=C1CC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142278	1	44	-1.0	-47.85	342.92	5.14	-42.71
CC1=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C2C=C1	REAL300020142279	0	41	-1.0	-46.61	332.65	5.64	-40.97
CC1=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C2C=C1	REAL300020142279	1	41	-1.0	-46.62	332.70	5.66	-40.96
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2C=CC=CN12	REAL300020142280	0	39	-1.0	-49.92	316.50	6.36	-43.56
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2C=CC=CN12	REAL300020142280	1	39	-1.0	-49.98	316.56	6.39	-43.59
O=C(C1CC2=CC(F)=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142281	0	38	-1.0	-49.20	312.23	5.55	-43.65
O=C(C1CC2=CC(F)=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142281	1	38	-1.0	-49.19	312.29	5.58	-43.61
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142282	0	45	0.0	-71.60	348.97	6.35	-65.25
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142282	1	45	0.0	-71.58	349.03	6.38	-65.20
CC[NH+]1CCN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142283	0	50	0.0	-70.01	368.38	3.80	-66.21
CC[NH+]1CCN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142283	1	50	0.0	-70.04	368.44	3.83	-66.21
CC1=CC=C(N2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)N=C1	REAL300020142284	0	50	-1.0	-39.28	382.82	5.83	-33.45
CC1=CC=C(N2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)N=C1	REAL300020142284	1	50	-1.0	-39.29	382.88	5.85	-33.44
COCCNS(=O)(=O)C1=CNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142285	0	46	-1.0	-55.83	387.23	-1.21	-57.04
COCCNS(=O)(=O)C1=CNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142285	1	46	-1.0	-55.83	387.29	-1.19	-57.02
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142286	0	45	-1.0	-53.85	371.25	0.25	-53.60
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142286	1	45	-1.0	-53.84	371.31	0.28	-53.56
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020142287	0	42	-1.0	-51.38	367.13	-4.01	-55.39
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020142287	1	42	-1.0	-51.44	367.18	-3.98	-55.42
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020142287	1	41	-2.0	-87.14	365.65	-4.50	-91.64
O=C(C1CCCC[N@@H+]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142288	0	52	0.0	-61.53	387.37	8.31	-53.22
O=C(C1CCCC[N@H+]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142288	1	52	0.0	-61.63	387.63	8.31	-53.32
O=C(C1CCCCN1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142288	1	51	-1.0	-48.51	385.97	6.24	-42.27
O=C(C1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142289	0	46	-1.0	-53.31	372.23	3.59	-49.72
O=C(C1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142289	1	46	-1.0	-53.29	372.28	3.62	-49.67
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2F)O1	REAL300020142290	0	42	-1.0	-46.40	349.55	5.32	-41.08
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CC=C2F)O1	REAL300020142290	1	42	-1.0	-46.40	349.49	5.29	-41.11
O=C(CCSC1=CC=C2OCCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142291	0	49	-1.0	-48.13	397.71	6.65	-41.48
O=C(CCSC1=CC=C2OCCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142291	1	49	-1.0	-48.14	397.77	6.68	-41.46
CC(CCC1=CC=CC(F)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142292	0	45	-1.0	-38.24	359.43	7.43	-30.81
CC(CCC1=CC=CC(F)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142292	1	45	-1.0	-38.23	359.49	7.46	-30.77
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(=O)NC1=O	REAL300020142293	0	35	-1.0	-42.32	297.16	-3.38	-45.70
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(=O)NC1=O	REAL300020142293	1	35	-1.0	-42.29	297.22	-3.36	-45.65
NC(=O)C1=NC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142294	0	35	-1.0	-47.62	297.54	-1.09	-48.71
NC(=O)C1=NC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142294	1	35	-1.0	-47.67	297.48	-1.12	-48.79
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142295	0	51	-1.0	-51.28	402.69	4.57	-46.71
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142295	1	51	-1.0	-51.33	402.75	4.60	-46.73
COC(=O)C1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142296	0	45	-1.0	-45.68	340.30	5.24	-40.44
COC(=O)C1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142296	1	45	-1.0	-45.66	340.36	5.26	-40.40
CC1=CC=C(N2[N-]C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=O)C=C1	REAL300020142297	0	43	-2.0	-90.59	355.21	5.35	-85.24
CC1=CC=C(N2[N-]C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=O)C=C1	REAL300020142297	1	43	-2.0	-90.58	355.27	5.37	-85.21
O=C(C1=NOC(C2=CC=CC(F)=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142298	0	38	-1.0	-42.41	328.21	3.64	-38.77
O=C(C1=NOC(C2=CC=CC(F)=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142298	1	38	-1.0	-42.44	328.15	3.61	-38.83
O=C(C1=C(Cl)C=C2NC(=O)CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142299	0	38	-1.0	-48.84	327.15	3.38	-45.46
O=C(C1=C(Cl)C=C2NC(=O)CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142299	1	38	-1.0	-48.84	327.21	3.41	-45.43
CSC1=CC=C(OC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142300	0	44	-1.0	-49.74	358.23	6.74	-43.00
CSC1=CC=C(OC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142300	1	44	-1.0	-49.77	358.29	6.77	-43.00
CCCNC(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142301	0	46	-1.0	-57.25	369.38	4.30	-52.95
CCCNC(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142301	1	46	-1.0	-57.23	369.44	4.33	-52.90
CC1=NN=C(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020142302	0	41	-1.0	-55.75	342.82	1.07	-54.68
CC1=NN=C(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020142302	1	41	-1.0	-55.79	342.88	1.09	-54.70
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=O)C2C3CCC(O3)C2C1=O	REAL300020142303	0	48	-1.0	-50.82	355.25	3.69	-47.13
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=O)C2C3CCC(O3)C2C1=O	REAL300020142303	1	48	-1.0	-50.77	355.31	3.71	-47.06
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142304	0	47	-1.0	-52.92	376.49	5.32	-47.60
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142304	1	47	-1.0	-52.86	376.43	5.30	-47.56
O=C(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142305	0	42	-1.0	-54.51	368.55	3.36	-51.15
O=C(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142305	1	42	-1.0	-54.50	368.60	3.39	-51.11
CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(C)C)=N1	REAL300020142306	0	45	-1.0	-48.75	357.82	4.98	-43.77
CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(C)C)=N1	REAL300020142306	1	45	-1.0	-48.69	357.88	5.00	-43.69
O=C(CCCOC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142307	0	42	-1.0	-51.18	340.97	4.08	-47.10
O=C(CCCOC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142307	1	42	-1.0	-51.12	340.92	4.05	-47.07
CCC1=CC=C(C(C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142308	0	48	-1.0	-45.26	372.43	8.15	-37.11
CCC1=CC=C(C(C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142308	1	48	-1.0	-45.27	372.49	8.17	-37.10
CCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C)C=C1	REAL300020142309	0	48	-1.0	-48.12	369.65	7.97	-40.15
CCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C)C=C1	REAL300020142309	1	48	-1.0	-48.10	369.71	8.00	-40.10
O=C(C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1)N1CCCC1	REAL300020142310	0	46	-1.0	-45.92	355.14	4.45	-41.47
O=C(C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1)N1CCCC1	REAL300020142310	1	46	-1.0	-45.91	355.08	4.42	-41.49
O=C(C1=CC=NC(OCC(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142311	0	39	-1.0	-47.54	339.01	2.59	-44.95
O=C(C1=CC=NC(OCC(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142311	1	39	-1.0	-47.54	338.95	2.56	-44.98
CC(C)CNC(=O)N1CCCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142312	0	57	-1.0	-61.94	425.94	5.79	-56.15
CC(C)CNC(=O)N1CCCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142312	1	57	-1.0	-61.96	425.99	5.82	-56.14
COCC(=O)N[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020142313	0	46	-1.0	-44.96	348.33	1.78	-43.18
COCC(=O)N[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020142313	1	46	-1.0	-44.99	348.39	1.80	-43.19
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300020142314	0	57	0.0	-73.88	424.48	7.20	-66.68
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020142314	1	57	0.0	-73.88	424.54	7.23	-66.65
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142315	0	54	0.0	-73.83	403.04	6.52	-67.31
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142315	1	54	0.0	-73.83	403.10	6.55	-67.28
CC[NH+](CC)CCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142316	0	48	0.0	-72.13	368.41	6.25	-65.88
CC[NH+](CC)CCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142316	1	48	0.0	-72.15	368.47	6.27	-65.88
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142317	0	53	0.0	-73.72	400.83	5.95	-67.77
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142317	1	53	0.0	-73.71	400.89	5.98	-67.73
O=C(CCN1CCN(C2=CC=CC=N2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142317	1	52	-1.0	-49.12	398.25	3.67	-45.45
O=C(CCN1CCN(C2=CC=CC=N2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142317	1	52	-1.0	-49.13	398.31	3.69	-45.44
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020142318	0	54	0.0	-56.32	407.47	5.76	-50.56
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020142318	1	54	0.0	-56.33	407.52	5.79	-50.54
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CS2)CCCCC1	REAL300020142319	0	46	-1.0	-43.88	347.52	6.80	-37.08
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CS2)CCCCC1	REAL300020142319	1	46	-1.0	-43.89	347.58	6.82	-37.07
O=C(COC1=CC=CC=C1)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142320	0	54	-1.0	-52.91	419.15	7.28	-45.63
O=C(COC1=CC=CC=C1)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142320	1	54	-1.0	-52.85	419.21	7.31	-45.54
CC(C)=CCSC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142321	0	47	-1.0	-40.86	380.29	8.20	-32.66
CC(C)=CCSC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142321	1	47	-1.0	-40.83	380.35	8.23	-32.60
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)C1	REAL300020142322	0	54	-1.0	-58.09	418.08	4.37	-53.72
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)C1	REAL300020142322	1	54	-1.0	-58.11	418.14	4.40	-53.71
CC1=C2NC=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=CC=C1	REAL300020142323	0	43	-1.0	-51.29	347.81	6.14	-45.15
CC1=C2NC=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=CC=C1	REAL300020142323	1	43	-1.0	-51.24	347.87	6.17	-45.07
O=C(C1=CC(N2CCNC2=O)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142324	0	43	-1.0	-52.94	349.37	3.24	-49.70
O=C(C1=CC(N2CCNC2=O)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142324	1	43	-1.0	-52.96	349.43	3.26	-49.70
CCC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C)C=C1	REAL300020142325	0	46	-1.0	-44.10	359.95	8.04	-36.06
CCC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C)C=C1	REAL300020142325	1	46	-1.0	-44.09	360.01	8.07	-36.02
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142326	0	35	-2.0	-86.73	311.06	1.76	-84.97
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142326	1	35	-2.0	-86.70	311.11	1.78	-84.92
CC(C)NC1=NC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142327	0	43	-1.0	-45.36	341.41	4.46	-40.90
CC(C)NC1=NC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142327	1	43	-1.0	-45.35	341.47	4.49	-40.86
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Br)=C1C=O	REAL300020142328	0	36	-1.0	-44.87	314.64	4.01	-40.86
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Br)=C1C=O	REAL300020142328	1	36	-1.0	-44.87	314.70	4.04	-40.83
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142329	0	53	0.0	-70.94	363.15	4.86	-66.08
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142329	1	53	0.0	-70.96	363.21	4.89	-66.07
CC(SCC1=NC2=CC=CC=C2C(=O)N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142330	0	48	-1.0	-57.11	399.82	5.79	-51.32
CC(SCC1=NC2=CC=CC=C2C(=O)N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142330	1	48	-1.0	-57.12	399.88	5.81	-51.31
CC(=O)NC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1F	REAL300020142331	0	46	-1.0	-44.94	375.38	4.66	-40.28
CC(=O)NC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1F	REAL300020142331	1	46	-1.0	-44.91	375.44	4.68	-40.23
O=C(C1CN(CC2=CC=CC=C2)CCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142332	0	49	-1.0	-47.77	378.47	4.73	-43.04
O=C(C1CN(CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142332	1	49	-1.0	-47.81	378.53	4.75	-43.06
O=C(C1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142332	1	50	0.0	-71.08	373.14	6.83	-64.25
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142332	1	50	0.0	-71.85	372.97	6.80	-65.05
CC(C)CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020142333	0	44	-1.0	-46.47	350.00	4.24	-42.23
CC(C)CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020142333	1	44	-1.0	-46.47	349.94	4.21	-42.26
O=C(CCN1C(=O)CCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142334	0	47	-1.0	-50.36	370.89	6.60	-43.76
O=C(CCN1C(=O)CCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142334	1	47	-1.0	-50.37	370.95	6.62	-43.75
CC(C)C1=CC=C(N2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=O)C=C1	REAL300020142335	0	53	-1.0	-48.51	401.78	7.50	-41.01
CC(C)C1=CC=C(N2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020142335	1	53	-1.0	-48.53	401.84	7.52	-41.01
O=C(C1=CC=CC(NC2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142336	0	45	-1.0	-50.47	359.25	6.68	-43.79
O=C(C1=CC=CC(NC2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142336	1	45	-1.0	-50.49	359.30	6.71	-43.78
O=C(CN(CC1=CC=CN=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142337	0	50	-1.0	-51.49	391.30	7.46	-44.03
O=C(CN(CC1=CC=CN=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142337	1	50	-1.0	-51.54	391.24	7.43	-44.11
CC(C)CNC(=O)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142338	0	54	-1.0	-46.69	406.97	4.95	-41.74
CC(C)CNC(=O)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142338	1	54	-1.0	-46.69	407.03	4.98	-41.71
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300020142339	0	43	-1.0	-47.78	365.68	0.53	-47.25
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300020142339	1	43	-1.0	-47.80	365.73	0.56	-47.24
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020142340	0	54	0.0	-75.59	407.45	5.78	-69.81
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020142340	1	54	0.0	-75.61	407.51	5.80	-69.81
O=C(C1=CC(N2CCOC2=O)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142341	0	42	-1.0	-53.80	346.47	4.62	-49.18
O=C(C1=CC(N2CCOC2=O)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142341	1	42	-1.0	-53.81	346.52	4.64	-49.17
CC1=C2NC=C(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=CC=C1	REAL300020142342	0	46	-1.0	-48.53	369.20	6.95	-41.58
CC1=C2NC=C(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=CC=C1	REAL300020142342	1	46	-1.0	-48.50	369.26	6.97	-41.53
CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142343	0	57	-1.0	-53.24	422.54	4.77	-48.47
CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142343	1	57	-1.0	-53.21	422.60	4.79	-48.42
CN1CCN(C2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)CC1	REAL300020142344	0	46	-1.0	-44.31	368.88	1.54	-42.77
CN1CCN(C2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)CC1	REAL300020142344	1	46	-1.0	-44.33	368.94	1.57	-42.76
O=C(C1=CC=CC=C1OC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142345	0	50	-1.0	-52.57	377.37	8.17	-44.40
O=C(C1=CC=CC=C1OC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142345	1	50	-1.0	-52.59	377.43	8.20	-44.39
CC(C)(C)C(=O)NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142346	0	52	-1.0	-49.48	411.42	5.50	-43.98
CC(C)(C)C(=O)NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142346	1	52	-1.0	-49.51	411.48	5.53	-43.98
CCCCCCCCOCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142347	0	51	-1.0	-49.10	398.25	7.52	-41.58
CCCCCCCCOCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142347	1	51	-1.0	-49.09	398.31	7.55	-41.54
CCS(=O)(=O)NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142348	0	47	-1.0	-56.12	391.89	2.16	-53.96
CCS(=O)(=O)NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142348	1	47	-1.0	-56.11	391.95	2.18	-53.93
O=C(C1=C(CCC(F)(F)F)OC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142349	0	38	-1.0	-40.97	324.90	3.08	-37.89
O=C(C1=C(CCC(F)(F)F)OC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142349	1	38	-1.0	-40.95	324.84	3.06	-37.89
CCC(CC)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020142350	0	48	-1.0	-48.15	347.39	6.73	-41.42
CCC(CC)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020142350	1	48	-1.0	-48.15	347.45	6.75	-41.40
O=C(C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142351	0	38	-1.0	-53.87	333.52	6.92	-46.95
O=C(C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142351	1	38	-1.0	-53.85	333.58	6.94	-46.91
O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142352	0	44	-1.0	-54.54	359.81	4.92	-49.62
O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142352	1	44	-1.0	-54.53	359.86	4.94	-49.59
O=C(C1=CC=C(F)C(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142353	0	33	-1.0	-41.97	297.45	5.10	-36.87
O=C(C1=CC=C(F)C(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142353	1	33	-1.0	-41.97	297.50	5.12	-36.85
O=C(COC1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142354	0	37	-1.0	-48.22	337.05	6.38	-41.84
O=C(COC1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142354	1	37	-1.0	-48.18	337.10	6.40	-41.78
CC1=NC(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=CS1	REAL300020142355	0	42	-1.0	-53.88	353.81	5.86	-48.02
CC1=NC(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=CS1	REAL300020142355	1	42	-1.0	-53.88	353.76	5.84	-48.04
O=C(CCN1C(=O)C2C3CCC(O3)C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142356	0	48	-1.0	-49.89	370.35	2.93	-46.96
O=C(CCN1C(=O)C2C3CCC(O3)C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142356	1	48	-1.0	-49.88	370.41	2.95	-46.93
O=C(C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142357	0	43	-1.0	-48.15	363.04	8.01	-40.14
O=C(C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142357	1	43	-1.0	-48.14	363.10	8.04	-40.10
O=C(NC1CCCC1)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142358	0	55	-1.0	-52.54	410.64	5.58	-46.96
O=C(NC1CCCC1)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142358	1	55	-1.0	-52.57	410.70	5.60	-46.97
O=C(C1=CN(CC2=CC=CC=N2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142359	0	41	-1.0	-50.11	343.95	3.36	-46.75
O=C(C1=CN(CC2=CC=CC=N2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142359	1	41	-1.0	-50.09	344.01	3.38	-46.71
CC1=C(C)C=C2OC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020142360	0	42	-1.0	-42.27	336.53	6.26	-36.01
CC1=C(C)C=C2OC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020142360	1	42	-1.0	-42.26	336.59	6.29	-35.97
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142361	0	50	-1.0	-61.43	384.61	7.37	-54.06
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142361	1	50	-1.0	-61.49	384.67	7.40	-54.09
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(NC(C)=O)=C1OC	REAL300020142362	0	48	-1.0	-54.82	384.78	2.72	-52.10
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(NC(C)=O)=C1OC	REAL300020142362	1	48	-1.0	-54.85	384.83	2.75	-52.10
CC(CCC1=CC=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142363	0	45	-1.0	-50.30	359.79	7.48	-42.82
CC(CCC1=CC=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142363	1	45	-1.0	-50.29	359.85	7.50	-42.79
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020142364	0	42	-1.0	-44.72	340.22	6.58	-38.14
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020142364	1	42	-1.0	-44.73	340.27	6.60	-38.13
CC1=NOC(C(F)(F)F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142365	0	35	-1.0	-40.91	309.70	3.82	-37.09
CC1=NOC(C(F)(F)F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142365	1	35	-1.0	-40.88	309.75	3.85	-37.03
O=C(C1=CNN=C1C1=CC=CC(OC(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142366	0	44	-1.0	-51.11	367.19	4.15	-46.96
O=C(C1=CNN=C1C1=CC=CC(OC(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142366	1	44	-1.0	-51.13	367.25	4.17	-46.96
O=C(C1=CNC=C1C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142367	0	41	-1.0	-53.96	344.43	6.11	-47.85
O=C(C1=CNC=C1C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142367	1	41	-1.0	-53.96	344.49	6.13	-47.83
CCCCCCC(C)(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142368	0	53	-1.0	-35.38	379.74	7.15	-28.23
CCCCCCC(C)(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142368	1	53	-1.0	-35.40	379.80	7.17	-28.23
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1F	REAL300020142369	0	39	-1.0	-44.03	318.89	5.86	-38.17
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1F	REAL300020142369	1	39	-1.0	-44.03	318.94	5.89	-38.14
O=C(C1CCN(C2=CC=CC(Cl)=C2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142370	0	44	-1.0	-62.96	365.74	6.89	-56.07
O=C(C1CCN(C2=CC=CC(Cl)=C2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142370	1	44	-1.0	-62.96	365.80	6.92	-56.04
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142371	0	43	-1.0	-46.38	366.89	6.74	-39.64
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142371	1	43	-1.0	-46.39	366.95	6.77	-39.62
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020142372	0	59	-1.0	-42.95	430.22	5.62	-37.33
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020142372	1	59	-1.0	-42.97	430.28	5.64	-37.33
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(F)=C1	REAL300020142373	0	39	-1.0	-36.75	321.50	5.96	-30.79
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(F)=C1	REAL300020142373	1	39	-1.0	-36.73	321.56	5.98	-30.75
CCCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1F	REAL300020142374	0	48	-1.0	-54.16	392.17	7.97	-46.19
CCCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1F	REAL300020142374	1	48	-1.0	-54.20	392.23	7.99	-46.21
CCCC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142375	0	38	-1.0	-44.50	319.05	3.78	-40.72
CCCC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020142375	1	38	-1.0	-44.48	319.11	3.80	-40.68
CC(C)(C)C(=O)N1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142376	0	50	-1.0	-48.85	370.68	3.84	-45.01
CC(C)(C)C(=O)N1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142376	1	50	-1.0	-48.84	370.73	3.87	-44.97
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020142377	0	39	-1.0	-48.59	326.44	6.29	-42.30
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020142377	1	39	-1.0	-48.61	326.50	6.31	-42.30
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020142378	0	52	-1.0	-43.75	406.99	8.86	-34.89
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020142378	1	52	-1.0	-43.75	407.05	8.88	-34.87
CCC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020142379	0	46	-1.0	-44.00	373.78	7.98	-36.02
CCC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020142379	1	46	-1.0	-43.98	373.83	8.00	-35.98
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC2=CC=CC=C2C1	REAL300020142380	0	46	-1.0	-37.22	338.84	6.90	-30.32
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC2=CC=CC=C2C1	REAL300020142380	1	46	-1.0	-37.24	338.90	6.92	-30.32
O=C(C1=CC=C(OC2CCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142381	0	44	-1.0	-45.66	346.11	5.99	-39.67
O=C(C1=CC=C(OC2CCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142381	1	44	-1.0	-45.65	346.17	6.01	-39.64
CC1=CC=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142382	0	36	-1.0	-43.25	309.35	5.67	-37.58
CC1=CC=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142382	1	36	-1.0	-43.26	309.41	5.70	-37.56
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020142383	0	48	-1.0	-46.43	357.95	8.18	-38.25
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020142383	1	48	-1.0	-46.43	358.00	8.20	-38.23
CN1C=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020142384	0	44	-1.0	-40.93	358.34	7.72	-33.21
CN1C=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020142384	1	44	-1.0	-40.91	358.39	7.74	-33.17
O=C(C1=CN=C2C=CSC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142385	0	35	-1.0	-45.28	301.54	3.89	-41.39
O=C(C1=CN=C2C=CSC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142385	1	35	-1.0	-45.27	301.48	3.87	-41.40
CC1=NOC(C2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020142386	0	41	-1.0	-55.41	338.52	4.74	-50.67
CC1=NOC(C2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020142386	1	41	-1.0	-55.45	338.46	4.71	-50.74
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142387	0	43	-1.0	-61.05	368.63	-1.04	-62.09
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142387	1	43	-1.0	-61.06	368.69	-1.02	-62.08
O=C(C1=CNC=C1C1=CC=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142388	0	47	-1.0	-56.61	382.45	5.20	-51.41
O=C(C1=CNC=C1C1=CC=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142388	1	47	-1.0	-56.59	382.50	5.22	-51.37
O=CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020142389	0	39	-1.0	-53.68	347.17	5.73	-47.95
O=CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020142389	1	39	-1.0	-53.67	347.22	5.75	-47.92
CC1=CC=C(CN2C(=O)CCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142390	0	50	-1.0	-53.40	397.81	7.30	-46.10
CC1=CC=C(CN2C(=O)CCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142390	1	50	-1.0	-53.41	397.86	7.32	-46.09
O=C(C1=CC(C2=CC=CC=N2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142391	0	38	-1.0	-42.73	322.37	3.90	-38.83
O=C(C1=CC(C2=CC=CC=N2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142391	1	38	-1.0	-42.74	322.43	3.93	-38.81
CC(C)(C)C(=O)CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020142392	0	46	-1.0	-55.71	369.34	4.04	-51.67
CC(C)(C)C(=O)CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020142392	1	46	-1.0	-55.69	369.29	4.02	-51.67
NC(=O)C1=CC(S(=O)(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1	REAL300020142393	0	43	-1.0	-57.57	372.65	-4.38	-61.95
NC(=O)C1=CC(S(=O)(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1	REAL300020142393	1	43	-1.0	-57.54	372.71	-4.36	-61.90
O=C(C1CCSC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142394	0	41	-1.0	-47.58	329.32	6.58	-41.00
O=C(C1CCSC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142394	1	41	-1.0	-47.58	329.38	6.61	-40.97
CC(C)(C)OC(=O)N(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC1CCCO1	REAL300020142395	0	57	-1.0	-53.09	436.34	6.08	-47.01
CC(C)(C)OC(=O)N(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1CCCO1	REAL300020142395	1	57	-1.0	-53.10	436.40	6.11	-46.99
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142396	0	43	-1.0	-56.32	359.18	6.68	-49.64
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142396	1	43	-1.0	-56.32	359.24	6.70	-49.62
O=C(C(C1=CC=CC(F)=C1)N1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142397	0	49	-1.0	-49.45	380.55	3.90	-45.55
O=C(C(C1=CC=CC(F)=C1)N1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142397	1	49	-1.0	-49.44	380.61	3.92	-45.52
O=C(C1=CC=CC(F)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142398	0	33	-1.0	-49.50	291.21	4.96	-44.54
O=C(C1=CC=CC(F)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142398	1	33	-1.0	-49.45	291.27	4.99	-44.46
CCOC1=C(F)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142399	0	40	-1.0	-48.56	328.46	5.11	-43.45
CCOC1=C(F)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142399	1	40	-1.0	-48.53	328.52	5.13	-43.40
O=C(C1=CC=CC=C1SC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142400	0	44	-1.0	-50.30	370.02	8.53	-41.77
O=C(C1=CC=CC=C1SC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142400	1	44	-1.0	-50.33	370.07	8.55	-41.78
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020142401	0	43	-1.0	-57.17	350.38	6.19	-50.98
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020142401	1	43	-1.0	-57.16	350.44	6.21	-50.95
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C1=CC=CC=C1	REAL300020142402	0	44	-1.0	-46.30	346.01	7.04	-39.26
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C1=CC=CC=C1	REAL300020142402	1	44	-1.0	-46.30	346.07	7.07	-39.23
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1N1C=NC=N1	REAL300020142403	0	42	-1.0	-49.42	341.78	7.93	-41.49
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1N1C=NC=N1	REAL300020142403	1	42	-1.0	-49.40	341.72	7.90	-41.50
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142404	0	42	-1.0	-49.56	341.43	7.61	-41.95
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142404	1	42	-1.0	-49.53	341.37	7.59	-41.94
CC1=NC(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1	REAL300020142405	0	36	-1.0	-50.49	313.35	2.99	-47.50
CC1=NC(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1	REAL300020142405	1	36	-1.0	-50.49	313.41	3.02	-47.47
CC(C)(C)C(=O)NC1=NC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142406	0	47	-1.0	-46.15	379.13	3.30	-42.85
CC(C)(C)C(=O)NC1=NC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142406	1	47	-1.0	-46.18	379.08	3.28	-42.90
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020142407	0	44	-1.0	-53.89	363.77	4.89	-49.00
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020142407	1	44	-1.0	-53.89	363.82	4.92	-48.97
O=C(C1=CC(C2CC2)=NC2=CC=C(F)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142408	0	45	-1.0	-46.96	365.14	6.88	-40.08
O=C(C1=CC(C2CC2)=NC2=CC=C(F)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142408	1	45	-1.0	-46.96	365.20	6.90	-40.06
O=C(C1CC12CCC1=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142409	0	44	-1.0	-44.32	345.71	7.64	-36.68
O=C(C1CC12CCC1=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142409	1	44	-1.0	-44.31	345.76	7.67	-36.64
COCCCOC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142410	0	47	-1.0	-47.38	376.44	4.52	-42.86
COCCCOC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142410	1	47	-1.0	-47.37	376.50	4.54	-42.83
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C1CC1	REAL300020142411	0	40	-1.0	-43.09	323.12	4.82	-38.27
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C1CC1	REAL300020142411	1	40	-1.0	-43.08	323.18	4.84	-38.24
CC1=NN(C)C(C)=C1CC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142412	0	48	-1.0	-41.26	365.49	5.04	-36.22
CC1=NN(C)C(C)=C1CC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142412	1	48	-1.0	-41.26	365.55	5.06	-36.20
O=C(C1=CC2=CC=CC(F)=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142413	0	36	-1.0	-46.73	304.56	5.09	-41.64
O=C(C1=CC2=CC=CC(F)=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142413	1	36	-1.0	-46.73	304.61	5.12	-41.61
O=C(C1=C(C2=CC=C3OCCOC3=C2)OC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142414	0	45	-1.0	-52.15	374.56	2.05	-50.10
O=C(C1=C(C2=CC=C3OCCOC3=C2)OC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142414	1	45	-1.0	-52.12	374.50	2.02	-50.10
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1NC(=O)CC(C)C	REAL300020142415	0	52	-1.0	-49.31	399.80	6.29	-43.02
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1NC(=O)CC(C)C	REAL300020142415	1	52	-1.0	-49.34	399.86	6.32	-43.02
CC1=CC=CC(C)=C1NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142416	0	44	-1.0	-45.11	345.50	5.14	-39.97
CC1=CC=CC(C)=C1NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142416	1	44	-1.0	-45.07	345.55	5.17	-39.90
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC(F)F	REAL300020142417	0	45	-1.0	-47.62	371.49	3.96	-43.66
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC(F)F	REAL300020142417	1	45	-1.0	-47.55	371.54	3.99	-43.56
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142418	0	50	-1.0	-54.46	383.96	6.38	-48.08
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142418	1	50	-1.0	-54.43	384.01	6.41	-48.02
O=C(C1=CC=C(OC2CCOCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142419	0	48	-1.0	-46.06	371.56	4.80	-41.26
O=C(C1=CC=C(OC2CCOCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142419	1	48	-1.0	-46.07	371.62	4.83	-41.24
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1N1CCNC1=O	REAL300020142420	0	47	-1.0	-51.15	378.95	2.81	-48.34
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1N1CCNC1=O	REAL300020142420	1	47	-1.0	-51.12	379.01	2.84	-48.28
CC(C)CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020142421	0	49	-1.0	-48.04	387.08	5.55	-42.49
CC(C)CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020142421	1	49	-1.0	-48.09	387.14	5.58	-42.51
O=C(C1=CNC(=O)C(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142422	0	33	-1.0	-48.44	299.77	2.14	-46.30
O=C(C1=CNC(=O)C(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142422	1	33	-1.0	-48.46	299.83	2.16	-46.30
O=C(C=CC1=CC(Br)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142423	0	34	-1.0	-36.31	315.18	5.65	-30.66
O=C(C=CC1=CC(Br)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142423	1	34	-1.0	-36.34	315.24	5.68	-30.66
CCC(CC)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCOCC1	REAL300020142424	0	54	-1.0	-45.28	371.25	4.78	-40.50
CCC(CC)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCOCC1	REAL300020142424	1	54	-1.0	-45.25	371.31	4.81	-40.44
CCC(CC)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCOCC1	REAL300020142424	1	55	0.0	-59.48	371.50	5.36	-54.12
O=C(C1=CC=CC(C2=CSC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142425	0	39	-1.0	-42.87	332.50	5.15	-37.72
O=C(C1=CC=CC(C2=CSC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142425	1	39	-1.0	-42.88	332.45	5.13	-37.75
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2CCCC2)=N1	REAL300020142426	0	45	-1.0	-37.83	361.71	5.60	-32.23
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2CCCC2)=N1	REAL300020142426	1	45	-1.0	-37.86	361.76	5.63	-32.23
O=C(C1CC12CCCC1=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142427	0	47	-1.0	-46.01	357.53	8.29	-37.72
O=C(C1CC12CCCC1=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142427	1	47	-1.0	-46.02	357.58	8.31	-37.71
CC(CC(=O)C1=CC=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142428	0	44	-1.0	-46.66	356.13	6.64	-40.02
CC(CC(=O)C1=CC=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142428	1	44	-1.0	-46.66	356.19	6.67	-39.99
CCCCCCC(C)(CCC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142429	0	56	-1.0	-47.01	402.38	7.95	-39.06
CCCCCCC(C)(CCC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142429	1	56	-1.0	-47.03	402.43	7.97	-39.06
COC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142430	0	37	-1.0	-45.25	331.43	4.93	-40.32
COC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142430	1	37	-1.0	-45.24	331.49	4.95	-40.29
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020142431	0	45	-1.0	-49.44	364.64	7.45	-41.99
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020142431	1	45	-1.0	-49.46	364.70	7.48	-41.98
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=S)NC(C2CC2)=N1	REAL300020142432	0	42	-1.0	-59.38	357.20	5.55	-53.83
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=S)NC(C2CC2)=N1	REAL300020142432	1	42	-1.0	-59.40	357.26	5.57	-53.83
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020142433	0	41	-2.0	-102.15	350.66	1.92	-100.23
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020142433	1	41	-2.0	-102.21	350.60	1.89	-100.32
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC(C2=CC=CO2)=N1	REAL300020142433	1	42	-1.0	-56.06	353.14	3.23	-52.83
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC(C2=CC=CO2)=N1	REAL300020142433	1	42	-1.0	-56.05	353.08	3.21	-52.84
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC(C(C)(C)C)=N1	REAL300020142434	0	47	-1.0	-54.13	371.76	3.73	-50.40
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC(C(C)(C)C)=N1	REAL300020142434	1	47	-1.0	-54.09	371.82	3.76	-50.33
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC(C(C)C)=N1	REAL300020142435	0	44	-1.0	-54.86	356.25	3.24	-51.62
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC(C(C)C)=N1	REAL300020142435	1	44	-1.0	-54.85	356.31	3.26	-51.59
O=C(C1=CC(C2=CC=CC=C2O)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142436	0	41	-1.0	-45.64	337.12	2.27	-43.37
O=C(C1=CC(C2=CC=CC=C2O)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142436	1	41	-1.0	-45.65	337.18	2.29	-43.36
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020142437	0	44	-2.0	-110.00	364.81	3.51	-106.49
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020142437	1	44	-2.0	-109.99	364.87	3.53	-106.46
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142438	0	40	-2.0	-106.52	341.74	4.28	-102.24
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142438	1	40	-2.0	-106.52	341.80	4.30	-102.22
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=O)=N1	REAL300020142439	0	44	-2.0	-97.93	370.72	5.75	-92.18
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=O)=N1	REAL300020142439	1	44	-2.0	-97.95	370.78	5.77	-92.18
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142440	0	40	-2.0	-113.74	338.63	4.33	-109.41
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142440	1	40	-2.0	-113.70	338.69	4.35	-109.35
CC1=CC(F)=CC2=C1NC=C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2=O	REAL300020142441	0	42	-1.0	-64.08	349.65	5.26	-58.82
CC1=CC(F)=CC2=C1NC=C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2=O	REAL300020142441	1	42	-1.0	-64.08	349.70	5.29	-58.79
COC1=CC=C(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020142442	0	47	-1.0	-39.40	367.52	5.03	-34.37
COC1=CC=C(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020142442	1	47	-1.0	-39.38	367.57	5.06	-34.32
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142443	0	47	-1.0	-52.91	381.57	5.92	-46.99
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142443	1	47	-1.0	-52.90	381.63	5.95	-46.95
CC1=CC2=C(C=C1C)OC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020142444	0	44	-1.0	-50.85	344.71	6.72	-44.13
CC1=CC2=C(C=C1C)OC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020142444	1	44	-1.0	-50.88	344.76	6.75	-44.13
O=C(C1=CC(Cl)=CC=C1OC1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142445	0	47	-1.0	-48.74	381.06	7.86	-40.88
O=C(C1=CC(Cl)=CC=C1OC1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142445	1	47	-1.0	-48.69	381.12	7.88	-40.81
O=C(C1=CC=C(F)C=C1OC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142446	0	37	-1.0	-39.81	315.66	4.33	-35.48
O=C(C1=CC=C(F)C=C1OC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142446	1	37	-1.0	-39.79	315.72	4.35	-35.44
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142447	0	50	-1.0	-55.58	400.74	5.68	-49.90
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142447	1	50	-1.0	-55.57	400.80	5.70	-49.87
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020142448	0	37	-1.0	-47.63	306.99	3.29	-44.34
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020142448	1	37	-1.0	-47.64	307.04	3.32	-44.32
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300020142449	0	53	-1.0	-47.54	418.41	9.74	-37.80
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300020142449	1	53	-1.0	-47.52	418.47	9.76	-37.76
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC2=CC=CC=C21	REAL300020142450	0	42	-1.0	-58.27	341.81	4.07	-54.20
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC2=CC=CC=C21	REAL300020142450	1	42	-1.0	-58.30	341.87	4.09	-54.21
O=C(C1=C(F)C=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142451	0	33	-1.0	-48.71	300.64	5.17	-43.54
O=C(C1=C(F)C=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142451	1	33	-1.0	-48.71	300.70	5.19	-43.52
O=C(C1CC1C1=CC=CC(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142452	0	40	-1.0	-55.12	333.88	6.85	-48.27
O=C(C1CC1C1=CC=CC(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142452	1	40	-1.0	-55.14	333.94	6.87	-48.27
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020142453	0	45	-1.0	-46.97	348.43	6.99	-39.98
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020142453	1	45	-1.0	-46.90	348.49	7.02	-39.88
O=C(CCCCC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142454	0	45	-1.0	-46.64	375.83	8.34	-38.30
O=C(CCCCC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142454	1	45	-1.0	-46.66	375.89	8.37	-38.29
CCCOC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142455	0	49	-1.0	-46.18	388.95	7.29	-38.89
CCCOC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142455	1	49	-1.0	-46.17	389.01	7.31	-38.86
O=C(CC1=CC(F)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142456	0	36	-1.0	-47.97	306.53	5.56	-42.41
O=C(CC1=CC(F)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142456	1	36	-1.0	-47.99	306.59	5.58	-42.41
CCC(OC1=CC=CC(C)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142457	0	46	-1.0	-38.11	354.28	6.93	-31.18
CCC(OC1=CC=CC(C)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142457	1	46	-1.0	-38.14	354.34	6.95	-31.19
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020142458	0	43	-1.0	-36.56	362.25	7.72	-28.84
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020142458	1	43	-1.0	-36.56	362.31	7.75	-28.81
O=C(NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)OCC(F)(F)F	REAL300020142459	0	44	-1.0	-50.53	378.34	4.01	-46.52
O=C(NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)OCC(F)(F)F	REAL300020142459	1	44	-1.0	-50.50	378.39	4.03	-46.47
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1	REAL300020142460	0	43	-1.0	-48.94	361.48	7.57	-41.37
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1	REAL300020142460	1	43	-1.0	-48.98	361.53	7.60	-41.38
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=C(Br)C=N1	REAL300020142461	0	42	-1.0	-41.39	353.41	5.20	-36.19
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=C(Br)C=N1	REAL300020142461	1	42	-1.0	-41.38	353.36	5.18	-36.20
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142462	0	45	-1.0	-51.42	350.16	2.48	-48.94
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142462	1	45	-1.0	-51.45	350.22	2.51	-48.94
CCC1=CC=C(C(=O)N2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)O1	REAL300020142463	0	53	-1.0	-52.43	410.96	6.34	-46.09
CCC1=CC=C(C(=O)N2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)O1	REAL300020142463	1	53	-1.0	-52.49	411.01	6.36	-46.13
O=C(C1SCCC2=C1C=CS2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142464	0	38	-1.0	-46.94	323.30	5.86	-41.08
O=C(C1SCCC2=C1C=CS2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142464	1	38	-1.0	-46.96	323.36	5.89	-41.07
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020142465	0	49	-1.0	-53.97	380.53	3.50	-50.47
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020142465	1	49	-1.0	-54.02	380.59	3.53	-50.49
CC(C)N1C=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142466	0	40	-1.0	-43.74	334.33	5.91	-37.83
CC(C)N1C=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142466	1	40	-1.0	-43.78	334.39	5.93	-37.85
O=C(C1=CC=CC=C1CN1C=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142467	0	42	-1.0	-52.26	342.24	7.55	-44.71
O=C(C1=CC=CC=C1CN1C=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142467	1	42	-1.0	-52.29	342.18	7.53	-44.76
CC(C)(OC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142468	0	43	-1.0	-44.28	326.62	5.16	-39.12
CC(C)(OC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142468	1	43	-1.0	-44.29	326.68	5.18	-39.11
CC(C)(C)OC(=O)N(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC1CC1	REAL300020142469	0	53	-1.0	-52.93	407.28	6.92	-46.01
CC(C)(C)OC(=O)N(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1CC1	REAL300020142469	1	53	-1.0	-52.95	407.34	6.95	-46.00
NC(=O)CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020142470	0	36	-1.0	-58.83	304.97	-1.61	-60.44
NC(=O)CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020142470	1	36	-1.0	-58.78	304.91	-1.63	-60.41
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Br	REAL300020142471	0	42	-1.0	-47.33	347.19	7.20	-40.13
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Br	REAL300020142471	1	42	-1.0	-47.37	347.25	7.23	-40.14
CCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1F	REAL300020142472	0	45	-1.0	-54.36	370.66	7.20	-47.16
CCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1F	REAL300020142472	1	45	-1.0	-54.34	370.71	7.22	-47.12
COC1=CC=C(C2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020142473	0	43	-1.0	-39.14	364.10	4.67	-34.47
COC1=CC=C(C2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020142473	1	43	-1.0	-39.18	364.04	4.64	-34.54
O=C(C1=CN(CC2=CC=CS2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142474	0	39	-1.0	-46.61	339.57	4.30	-42.31
O=C(C1=CN(CC2=CC=CS2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142474	1	39	-1.0	-46.61	339.51	4.27	-42.34
O=C(C1CCC2=CNN=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142475	0	40	-1.0	-41.36	312.98	3.33	-38.03
O=C(C1CCC2=CNN=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142475	1	40	-1.0	-41.40	313.04	3.36	-38.04
O=C(C(C1=CC=CC=C1F)N1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142476	0	49	-1.0	-44.08	371.19	3.17	-40.91
O=C(C(C1=CC=CC=C1F)N1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142476	1	49	-1.0	-44.07	371.24	3.19	-40.88
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142477	0	49	-1.0	-46.58	391.80	5.43	-41.15
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142477	1	49	-1.0	-46.61	391.85	5.46	-41.15
O=C(C1CCC(C2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142478	0	49	-1.0	-48.62	362.86	8.05	-40.57
O=C(C1CCC(C2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142478	1	49	-1.0	-48.64	362.91	8.08	-40.56
CC(C)(C)C(=O)NC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020142479	0	48	-1.0	-53.12	393.28	4.59	-48.53
CC(C)(C)C(=O)NC1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020142479	1	48	-1.0	-53.16	393.34	4.62	-48.54
C#CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142480	0	39	-1.0	-47.75	327.58	5.22	-42.53
C#CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142480	1	39	-1.0	-47.75	327.63	5.25	-42.50
O=C(C1CCCN(C2=C3C=CSC3=NC=N2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142481	0	49	-1.0	-50.25	389.94	6.14	-44.11
O=C(C1CCCN(C2=C3C=CSC3=NC=N2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142481	1	49	-1.0	-50.25	389.88	6.11	-44.14
O=C(C1CC1C1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142482	0	46	-1.0	-46.61	336.71	6.68	-39.93
O=C(C1CC1C1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142482	1	46	-1.0	-46.58	336.76	6.71	-39.87
CC(C)CC(=O)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142483	0	45	-1.0	-55.81	354.01	2.95	-52.86
CC(C)CC(=O)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142483	1	45	-1.0	-55.81	354.07	2.97	-52.84
CC(CSC(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142484	0	36	-1.0	-43.83	316.90	4.74	-39.09
CC(CSC(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142484	1	36	-1.0	-43.80	316.96	4.76	-39.04
O=C(C1SCCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142485	0	41	-1.0	-40.72	330.92	6.68	-34.04
O=C(C1SCCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142485	1	41	-1.0	-40.71	330.98	6.71	-34.00
O=C(CCC1=NN=CN1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142486	0	45	-1.0	-49.60	367.53	8.46	-41.14
O=C(CCC1=NN=CN1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142486	1	45	-1.0	-49.59	367.59	8.48	-41.11
O=C(C1=CC=C(Cl)C(N2CCNC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142487	0	43	-1.0	-54.61	365.72	4.18	-50.43
O=C(C1=CC=C(Cl)C(N2CCNC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142487	1	43	-1.0	-54.62	365.78	4.21	-50.41
CC(C)(C)OC(=O)N1CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142488	0	50	-1.0	-52.73	389.65	4.84	-47.89
CC(C)(C)OC(=O)N1CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142488	1	50	-1.0	-52.72	389.71	4.87	-47.85
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142489	0	52	0.0	-73.86	394.84	8.40	-65.46
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142489	1	52	0.0	-74.13	395.91	8.44	-65.69
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142489	1	52	0.0	-73.89	394.90	8.43	-65.46
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142489	1	52	0.0	-74.17	395.97	8.47	-65.70
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020142490	0	45	-1.0	-50.00	362.34	7.49	-42.51
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020142490	1	45	-1.0	-50.04	362.40	7.52	-42.52
CC(C)(C)CC1=NC(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=NO1	REAL300020142491	0	53	-1.0	-47.19	420.45	6.45	-40.74
CC(C)(C)CC1=NC(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=NO1	REAL300020142491	1	53	-1.0	-47.21	420.39	6.43	-40.78
CN1C=C(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020142492	0	43	-1.0	-53.53	350.09	5.74	-47.79
CN1C=C(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020142492	1	43	-1.0	-53.52	350.04	5.72	-47.80
CC(C)C1=NN(C)C2=C1C=C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)S2	REAL300020142493	0	45	-1.0	-45.72	373.30	5.38	-40.34
CC(C)C1=NN(C)C2=C1C=C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)S2	REAL300020142493	1	45	-1.0	-45.73	373.36	5.40	-40.33
CC1=CC=C2C(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CNC2=C1	REAL300020142494	0	46	-1.0	-48.39	369.35	6.96	-41.43
CC1=CC=C2C(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CNC2=C1	REAL300020142494	1	46	-1.0	-48.40	369.41	6.98	-41.42
O=C(C1=CC=CC2=CN=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142495	0	38	-1.0	-50.61	310.08	4.93	-45.68
O=C(C1=CC=CC2=CN=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142495	1	38	-1.0	-50.59	310.02	4.91	-45.68
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C)=C1Br	REAL300020142496	0	37	-1.0	-38.07	334.04	4.22	-33.85
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C)=C1Br	REAL300020142496	1	37	-1.0	-38.09	334.10	4.24	-33.85
CCOC(C)C1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142497	0	42	-1.0	-46.63	351.82	2.97	-43.66
CCOC(C)C1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020142497	1	42	-1.0	-46.65	351.87	2.99	-43.66
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142498	0	53	-1.0	-47.06	401.25	5.61	-41.45
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142498	1	53	-1.0	-47.11	401.31	5.63	-41.48
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1NC(=O)OC(C)(C)C	REAL300020142499	0	53	-1.0	-56.58	407.08	5.48	-51.10
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1NC(=O)OC(C)(C)C	REAL300020142499	1	53	-1.0	-56.60	407.14	5.50	-51.10
COCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020142500	0	43	-1.0	-40.19	353.04	1.40	-38.79
COCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020142500	1	43	-1.0	-40.22	352.98	1.38	-38.84
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300020142501	0	43	-1.0	-44.27	357.56	6.93	-37.34
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300020142501	1	43	-1.0	-44.26	357.62	6.96	-37.30
CCCCCCCCCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142502	0	62	-1.0	-46.15	471.14	11.03	-35.12
CCCCCCCCCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142502	1	62	-1.0	-46.12	471.20	11.06	-35.06
CC1=C(Br)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142503	0	36	-1.0	-45.11	306.86	5.55	-39.56
CC1=C(Br)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142503	1	36	-1.0	-45.10	306.91	5.58	-39.52
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142504	0	50	-1.0	-49.04	401.82	5.57	-43.47
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142504	1	50	-1.0	-49.07	401.88	5.59	-43.48
O=C(C1=CC(OCC2=CC=CC=C2)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142505	0	46	-1.0	-41.82	376.30	6.80	-35.02
O=C(C1=CC(OCC2=CC=CC=C2)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142505	1	46	-1.0	-41.86	376.24	6.77	-35.09
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020142506	0	50	-1.0	-45.30	399.57	3.29	-42.01
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020142506	1	50	-1.0	-45.26	399.63	3.32	-41.94
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)S1	REAL300020142507	0	36	-1.0	-47.54	325.30	5.78	-41.76
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)S1	REAL300020142507	1	36	-1.0	-47.52	325.36	5.81	-41.71
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142508	0	44	-1.0	-45.86	362.77	3.15	-42.71
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142508	1	44	-1.0	-45.86	362.82	3.18	-42.68
CCC(OC1CCCC(C)C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142509	0	52	-1.0	-49.07	382.04	7.06	-42.01
CCC(OC1CCCC(C)C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142509	1	52	-1.0	-49.08	382.10	7.08	-42.00
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142510	0	48	-1.0	-55.85	385.26	3.54	-52.31
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142510	1	48	-1.0	-55.87	385.32	3.57	-52.30
CC(CCOC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142511	0	46	-1.0	-49.94	361.90	6.20	-43.74
CC(CCOC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142511	1	46	-1.0	-49.92	361.95	6.23	-43.69
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020142512	0	36	-1.0	-46.15	309.93	5.62	-40.53
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020142512	1	36	-1.0	-46.16	309.99	5.65	-40.51
O=C(C1CC(=O)N(C2=CNN=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142513	0	41	-1.0	-55.48	328.76	2.01	-53.47
O=C(C1CC(=O)N(C2=CNN=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142513	1	41	-1.0	-55.46	328.81	2.04	-53.42
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142514	0	52	0.0	-68.14	372.52	6.90	-61.24
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142514	1	52	0.0	-68.88	373.30	6.92	-61.96
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142514	1	52	0.0	-68.11	372.58	6.92	-61.19
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142514	1	52	0.0	-68.92	373.36	6.95	-61.97
O=C(C1=CC=CC(C(F)(F)F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142515	0	36	-1.0	-52.18	314.29	5.48	-46.70
O=C(C1=CC=CC(C(F)(F)F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142515	1	36	-1.0	-52.20	314.34	5.50	-46.70
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C(F)(F)F)C=C1C=O	REAL300020142516	0	46	-1.0	-52.71	384.19	6.31	-46.40
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1C=O	REAL300020142516	1	46	-1.0	-52.73	384.25	6.33	-46.40
CC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C2C=C1	REAL300020142517	0	48	-1.0	-46.05	381.13	7.51	-38.54
CC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C2C=C1	REAL300020142517	1	48	-1.0	-46.03	381.19	7.54	-38.49
CC(C)OC1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142518	0	43	-1.0	-43.86	358.74	5.83	-38.03
CC(C)OC1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142518	1	43	-1.0	-43.86	358.80	5.86	-38.00
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142519	0	51	-1.0	-54.33	403.61	4.50	-49.83
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142519	1	51	-1.0	-54.33	403.67	4.52	-49.81
CN1C=CN=C1CN1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142520	0	51	-1.0	-55.14	384.02	4.22	-50.92
CN1C=CN=C1CN1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142520	1	51	-1.0	-55.16	384.08	4.24	-50.92
O=C(C1=CNN=C1C1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142521	0	39	-1.0	-51.07	324.76	2.62	-48.45
O=C(C1=CNN=C1C1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142521	1	39	-1.0	-51.07	324.82	2.65	-48.42
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(N)C([N+](=O)[O-])=C1	REAL300020142522	0	40	-1.0	-46.07	328.44	3.94	-42.13
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(N)C([N+](=O)[O-])=C1	REAL300020142522	1	40	-1.0	-46.04	328.49	3.97	-42.07
O=C(C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142523	0	46	-1.0	-48.45	377.81	6.67	-41.78
O=C(C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142523	1	46	-1.0	-48.49	377.87	6.70	-41.79
CC(C)(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020142524	0	41	-1.0	-43.87	328.58	4.68	-39.19
CC(C)(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020142524	1	41	-1.0	-43.88	328.53	4.66	-39.22
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020142525	0	53	-1.0	-45.47	402.37	4.38	-41.09
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020142525	1	53	-1.0	-45.44	402.43	4.41	-41.03
CS(=O)(=O)CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142526	0	42	-1.0	-49.30	344.08	2.08	-47.22
CS(=O)(=O)CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142526	1	42	-1.0	-49.34	344.14	2.11	-47.23
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142527	0	52	-1.0	-47.31	394.80	5.24	-42.07
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142527	1	52	-1.0	-47.34	394.85	5.26	-42.08
CC(C)OCCS(=O)(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142528	0	47	-1.0	-53.55	388.41	-0.44	-53.99
CC(C)OCCS(=O)(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142528	1	47	-1.0	-53.54	388.47	-0.41	-53.95
O=C(C1=CC=C(OC2=CC=CC=C2Cl)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142529	0	43	-1.0	-47.42	371.89	5.20	-42.22
O=C(C1=CC=C(OC2=CC=CC=C2Cl)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142529	1	43	-1.0	-47.42	371.83	5.18	-42.24
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020142530	0	46	-1.0	-48.00	370.64	5.50	-42.50
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020142530	1	46	-1.0	-48.04	370.70	5.52	-42.52
O=C(C1CCCCN1CC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142531	0	51	-1.0	-47.62	392.46	6.29	-41.33
O=C(C1CCCCN1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142531	1	51	-1.0	-47.63	392.52	6.31	-41.32
O=C(C1CCCC[N@H+]1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142531	1	52	0.0	-64.77	392.83	8.31	-56.46
O=C(C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142531	1	52	0.0	-68.79	385.86	8.03	-60.76
O=C(C1CCCN1CC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142532	0	48	-1.0	-49.77	374.74	5.39	-44.38
O=C(C1CCCN1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142532	1	48	-1.0	-49.76	374.80	5.41	-44.35
O=C(C1CCC[N@H+]1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142532	1	49	0.0	-68.38	379.66	7.71	-60.67
O=C(C1CCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142532	1	49	0.0	-64.57	373.16	7.34	-57.23
O=C(C1=C(F)N2C=CC=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142533	0	36	-1.0	-46.76	303.41	5.78	-40.98
O=C(C1=C(F)N2C=CC=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142533	1	36	-1.0	-46.72	303.35	5.75	-40.97
COC(=O)C1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020142534	0	38	-1.0	-59.49	326.75	2.03	-57.46
COC(=O)C1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020142534	1	38	-1.0	-59.46	326.69	2.01	-57.45
CC(C1=CC=CC=C1)C(C)(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142535	0	46	-1.0	-37.13	342.94	4.34	-32.79
CC(C1=CC=CC=C1)C(C)(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142535	1	46	-1.0	-37.12	343.00	4.37	-32.75
CC1C(=O)NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2N1C	REAL300020142536	0	46	-1.0	-46.02	359.75	2.13	-43.89
CC1C(=O)NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2N1C	REAL300020142536	1	46	-1.0	-46.01	359.81	2.16	-43.85
O=C(C1=C(Cl)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142537	0	33	-1.0	-47.73	305.75	5.46	-42.27
O=C(C1=C(Cl)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142537	1	33	-1.0	-47.74	305.81	5.48	-42.26
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142538	0	49	-1.0	-48.35	405.00	8.37	-39.98
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142538	1	49	-1.0	-48.36	405.05	8.40	-39.96
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142538	1	48	-2.0	-92.59	401.64	8.21	-84.38
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142538	1	48	-2.0	-92.59	401.70	8.23	-84.36
O=C(CSC1=N[N-]C(=S)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142539	0	32	-2.0	-80.99	316.06	2.70	-78.29
O=C(CSC1=N[N-]C(=S)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142539	1	32	-2.0	-80.99	316.12	2.73	-78.26
O=C(CSC1=NNC(=S)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142539	1	33	-1.0	-46.76	319.48	2.84	-43.92
O=C(CSC1=NNC(=S)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142539	1	33	-1.0	-46.78	319.54	2.87	-43.91
O=C(CC1=COC2=CC(F)=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142540	0	39	-1.0	-50.05	328.91	5.86	-44.19
O=C(CC1=COC2=CC(F)=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142540	1	39	-1.0	-50.06	328.97	5.89	-44.17
O=C(C1=CC=C(Br)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142541	0	35	-1.0	-53.79	316.14	6.54	-47.25
O=C(C1=CC=C(Br)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142541	1	35	-1.0	-53.78	316.19	6.57	-47.21
O=C(CCC1=CC(Cl)=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142542	0	39	-1.0	-44.83	350.05	7.24	-37.59
O=C(CCC1=CC(Cl)=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142542	1	39	-1.0	-44.87	350.11	7.27	-37.60
O=C(C1=CC=C(Br)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142543	0	32	-1.0	-36.32	286.89	3.20	-33.12
O=C(C1=CC=C(Br)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142543	1	32	-1.0	-36.34	286.84	3.18	-33.16
CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142544	0	50	-1.0	-44.58	385.68	4.60	-39.98
CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142544	1	50	-1.0	-44.56	385.74	4.63	-39.93
O=C(C1=C(F)C(F)=CC(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142545	0	33	-1.0	-45.32	299.43	4.81	-40.51
O=C(C1=C(F)C(F)=CC(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142545	1	33	-1.0	-45.33	299.49	4.84	-40.49
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)S1	REAL300020142546	0	36	-1.0	-47.53	320.67	5.67	-41.86
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)S1	REAL300020142546	1	36	-1.0	-47.54	320.73	5.69	-41.85
CC1=NC(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020142547	0	41	-1.0	-51.85	343.85	4.76	-47.09
CC1=NC(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020142547	1	41	-1.0	-51.86	343.90	4.78	-47.08
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=NN1	REAL300020142548	0	36	-1.0	-47.72	312.65	2.43	-45.29
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=NN1	REAL300020142548	1	36	-1.0	-47.75	312.71	2.45	-45.30
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142549	0	53	-1.0	-45.56	392.55	6.66	-38.90
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142549	1	53	-1.0	-45.55	392.60	6.68	-38.87
O=C(CC=CC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142550	0	40	-1.0	-48.47	332.16	6.83	-41.64
O=C(CC=CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142550	1	40	-1.0	-48.47	332.22	6.86	-41.61
CCC1=CC=C(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142551	0	48	-1.0	-45.78	355.14	7.34	-38.44
CCC1=CC=C(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142551	1	48	-1.0	-45.76	355.20	7.36	-38.40
CC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C2C(C)=C1	REAL300020142552	0	51	-1.0	-46.24	401.25	8.34	-37.90
CC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C2C(C)=C1	REAL300020142552	1	51	-1.0	-46.26	401.31	8.36	-37.90
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2C=NN(C)C2=N1	REAL300020142553	0	41	-1.0	-47.43	335.99	4.14	-43.29
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2C=NN(C)C2=N1	REAL300020142553	1	41	-1.0	-47.44	336.05	4.16	-43.28
CNS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020142554	0	41	-1.0	-52.70	344.75	0.42	-52.28
CNS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020142554	1	41	-1.0	-52.74	344.81	0.44	-52.30
O=C(C1CC(OCC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142555	0	47	-1.0	-51.47	375.75	6.67	-44.80
O=C(C1CC(OCC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142555	1	47	-1.0	-51.44	375.81	6.70	-44.74
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142556	0	55	-1.0	-49.43	427.61	11.03	-38.40
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142556	1	55	-1.0	-49.41	427.67	11.05	-38.36
CCC(OC1=CC=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142557	0	43	-1.0	-39.75	339.12	6.32	-33.43
CCC(OC1=CC=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142557	1	43	-1.0	-39.75	339.18	6.35	-33.40
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020142558	0	39	-1.0	-35.63	340.72	6.80	-28.83
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020142558	1	39	-1.0	-35.64	340.78	6.83	-28.81
O=C(C1=CC=C(N2C=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142559	0	40	-1.0	-47.16	327.87	6.53	-40.63
O=C(C1=CC=C(N2C=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142559	1	40	-1.0	-47.19	327.82	6.51	-40.68
CC1=CC(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020142560	0	45	-1.0	-48.74	367.30	7.42	-41.32
CC1=CC(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020142560	1	45	-1.0	-48.73	367.36	7.45	-41.28
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(S(=O)(=O)N(C)C)O1	REAL300020142561	0	44	-1.0	-48.70	370.10	1.36	-47.34
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(S(=O)(=O)N(C)C)O1	REAL300020142561	1	44	-1.0	-48.69	370.16	1.38	-47.31
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020142562	0	45	-1.0	-48.02	356.87	8.07	-39.95
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020142562	1	45	-1.0	-48.01	356.92	8.10	-39.91
O=C(C1=CC2=CC=CC(Cl)=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142563	0	36	-1.0	-44.37	314.88	5.55	-38.82
O=C(C1=CC2=CC=CC(Cl)=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142563	1	36	-1.0	-44.38	314.94	5.58	-38.80
O=C(C1=NC=CC=C1OCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142564	0	39	-1.0	-46.73	335.83	5.00	-41.73
O=C(C1=NC=CC=C1OCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142564	1	39	-1.0	-46.74	335.77	4.97	-41.77
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020142565	0	45	-1.0	-44.25	368.57	7.48	-36.77
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020142565	1	45	-1.0	-44.28	368.63	7.50	-36.78
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142566	0	53	-1.0	-45.85	395.24	4.83	-41.02
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142566	1	53	-1.0	-45.82	395.30	4.86	-40.96
CCC(C)OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142567	0	46	-1.0	-45.36	359.71	6.07	-39.29
CCC(C)OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142567	1	46	-1.0	-45.36	359.76	6.10	-39.26
CN1N=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020142568	0	38	-1.0	-47.29	314.40	3.59	-43.70
CN1N=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020142568	1	38	-1.0	-47.25	314.34	3.57	-43.68
COC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020142569	0	38	-1.0	-50.18	321.16	3.31	-46.87
COC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020142569	1	38	-1.0	-50.17	321.10	3.29	-46.88
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020142570	0	43	-2.0	-106.90	367.81	4.66	-102.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020142570	1	43	-2.0	-106.90	367.86	4.69	-102.21
O=C(CCOC1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142571	0	44	-1.0	-45.20	343.31	2.79	-42.41
O=C(CCOC1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142571	1	44	-1.0	-45.19	343.37	2.81	-42.38
CC1=CC(O)=CC(=O)N1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142572	0	43	-1.0	-53.57	346.10	2.07	-51.50
CC1=CC(O)=CC(=O)N1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142572	1	43	-1.0	-53.59	346.16	2.10	-51.49
CC1=CC(O)=CC(=O)N1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142573	0	40	-1.0	-58.10	326.78	1.64	-56.46
CC1=CC(O)=CC(=O)N1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142573	1	40	-1.0	-58.10	326.84	1.66	-56.44
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020142574	0	45	-1.0	-55.73	370.39	3.30	-52.43
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020142574	1	45	-1.0	-55.78	370.45	3.32	-52.46
CC1=CC(F)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020142575	0	38	-1.0	-51.61	327.12	6.14	-45.47
CC1=CC(F)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020142575	1	38	-1.0	-51.59	327.18	6.17	-45.42
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CNC(=O)NC1=O	REAL300020142576	0	36	-1.0	-59.55	306.22	-0.65	-60.20
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CNC(=O)NC1=O	REAL300020142576	1	36	-1.0	-59.62	306.28	-0.62	-60.24
COC1=CC=CC(C(C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142577	0	46	-1.0	-47.71	359.03	5.98	-41.73
COC1=CC=CC(C(C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142577	1	46	-1.0	-47.70	359.09	6.01	-41.69
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1OC(F)F	REAL300020142578	0	44	-1.0	-46.91	362.28	6.33	-40.58
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1OC(F)F	REAL300020142578	1	44	-1.0	-46.92	362.34	6.36	-40.56
CNS(=O)(=O)C1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142579	0	38	-1.0	-42.74	338.10	-0.45	-43.19
CNS(=O)(=O)C1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142579	1	38	-1.0	-42.79	338.16	-0.43	-43.22
O=C(C1=CC=C(OC2=CC=CC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142580	0	41	-1.0	-42.63	341.16	6.52	-36.11
O=C(C1=CC=C(OC2=CC=CC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142580	1	41	-1.0	-42.65	341.21	6.55	-36.10
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NC2=CC=CC=C21	REAL300020142581	0	41	-1.0	-45.24	328.15	5.27	-39.97
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NC2=CC=CC=C21	REAL300020142581	1	41	-1.0	-45.23	328.21	5.29	-39.94
CNS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL300020142582	0	41	-1.0	-49.22	351.14	-0.46	-49.68
CNS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL300020142582	1	41	-1.0	-49.22	351.19	-0.43	-49.65
CC1=C(Br)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142583	0	33	-1.0	-42.10	301.30	4.75	-37.35
CC1=C(Br)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142583	1	33	-1.0	-42.13	301.36	4.78	-37.35
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(F)C=C1F	REAL300020142584	0	36	-1.0	-36.78	303.37	5.18	-31.60
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(F)C=C1F	REAL300020142584	1	36	-1.0	-36.80	303.43	5.20	-31.60
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142585	0	51	-1.0	-56.53	408.74	8.86	-47.67
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142585	1	51	-1.0	-56.52	408.80	8.89	-47.63
COC1=CC=C(OC)C(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142586	0	44	-1.0	-48.17	354.84	4.12	-44.05
COC1=CC=C(OC)C(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142586	1	44	-1.0	-48.18	354.90	4.15	-44.03
O=C(C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142587	0	45	-1.0	-46.31	372.57	5.28	-41.03
O=C(C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142587	1	45	-1.0	-46.33	372.51	5.25	-41.08
O=C(C1=CC=C(F)C(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142588	0	33	-1.0	-49.70	289.33	4.64	-45.06
O=C(C1=CC=C(F)C(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142588	1	33	-1.0	-49.72	289.39	4.67	-45.05
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)OC2=CC=CC=C21	REAL300020142589	0	41	-1.0	-56.26	338.76	6.39	-49.87
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)OC2=CC=CC=C21	REAL300020142589	1	41	-1.0	-56.24	338.81	6.42	-49.82
NC(=O)C1=CC=C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142590	0	44	-1.0	-49.41	358.98	1.87	-47.54
NC(=O)C1=CC=C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142590	1	44	-1.0	-49.42	359.04	1.90	-47.52
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=CC(F)=C1	REAL300020142591	0	44	-1.0	-44.68	358.35	6.66	-38.02
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=CC(F)=C1	REAL300020142591	1	44	-1.0	-44.65	358.41	6.68	-37.97
CC1=CC=C2NC=C(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020142592	0	46	-1.0	-48.48	369.34	6.97	-41.51
CC1=CC=C2NC=C(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020142592	1	46	-1.0	-48.52	369.40	7.00	-41.52
O=C(C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142593	0	43	-1.0	-49.36	364.99	6.77	-42.59
O=C(C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142593	1	43	-1.0	-49.37	365.05	6.80	-42.57
O=C(C1=CC(Cl)=CC=C1OC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142594	0	37	-1.0	-40.21	327.09	4.84	-35.37
O=C(C1=CC(Cl)=CC=C1OC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142594	1	37	-1.0	-40.24	327.15	4.86	-35.38
COC1=CC=C(C2=NNC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1OC	REAL300020142595	0	48	-1.0	-42.02	387.09	4.05	-37.97
COC1=CC=C(C2=NNC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1OC	REAL300020142595	1	48	-1.0	-41.99	387.15	4.08	-37.91
CC1=NOC(C(F)F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142596	0	35	-1.0	-45.13	304.01	3.74	-41.39
CC1=NOC(C(F)F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142596	1	35	-1.0	-45.15	304.07	3.77	-41.38
O=C(CCC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142597	0	39	-1.0	-45.14	337.40	6.88	-38.26
O=C(CCC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142597	1	39	-1.0	-45.15	337.46	6.91	-38.24
COC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142598	0	40	-1.0	-43.23	335.45	4.85	-38.38
COC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142598	1	40	-1.0	-43.25	335.51	4.88	-38.37
CCC(OC1=CC=CC=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142599	0	43	-1.0	-38.33	348.92	6.79	-31.54
CCC(OC1=CC=CC=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142599	1	43	-1.0	-38.36	348.97	6.82	-31.54
O=C(C1=CNC=C1)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142600	0	43	-1.0	-48.82	350.94	5.58	-43.24
O=C(C1=CNC=C1)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142600	1	43	-1.0	-48.81	351.00	5.61	-43.20
O=C(C1=C(Br)C=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142601	0	30	-1.0	-37.88	269.77	3.27	-34.61
O=C(C1=C(Br)C=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142601	1	30	-1.0	-37.89	269.83	3.30	-34.59
COCCOC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142602	0	44	-1.0	-43.26	372.81	4.84	-38.42
COCCOC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142602	1	44	-1.0	-43.26	372.87	4.86	-38.40
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC2=CC=CC=C2O1	REAL300020142603	0	42	-1.0	-52.27	341.32	6.48	-45.79
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2O1	REAL300020142603	1	42	-1.0	-52.27	341.38	6.51	-45.76
CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142604	0	58	-1.0	-49.96	434.71	4.10	-45.86
CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142604	1	58	-1.0	-49.97	434.76	4.13	-45.84
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142604	1	59	0.0	-79.14	437.04	6.31	-72.83
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142604	1	59	0.0	-79.17	437.09	6.34	-72.83
NC(=O)C1=CC=CC(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142605	0	44	-1.0	-51.28	359.09	1.86	-49.42
NC(=O)C1=CC=CC(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142605	1	44	-1.0	-51.30	359.15	1.89	-49.41
O=C(C1=CC=C(CS(=O)(=O)C(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142606	0	42	-1.0	-52.26	368.57	3.06	-49.20
O=C(C1=CC=C(CS(=O)(=O)C(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142606	1	42	-1.0	-52.22	368.63	3.08	-49.14
CN1C(=O)NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020142607	0	36	-1.0	-56.01	302.76	1.03	-54.98
CN1C(=O)NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020142607	1	36	-1.0	-56.03	302.82	1.06	-54.97
CC1=CC=C(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020142608	0	49	-1.0	-50.87	384.43	7.05	-43.82
CC1=CC=C(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020142608	1	49	-1.0	-50.87	384.49	7.07	-43.80
CC(C)C1=NN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142609	0	42	-1.0	-43.59	331.16	4.05	-39.54
CC(C)C1=NN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142609	1	42	-1.0	-43.58	331.21	4.08	-39.50
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(C2=CN(C)N=C2)O1	REAL300020142610	0	42	-1.0	-47.21	350.49	2.70	-44.51
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(C2=CN(C)N=C2)O1	REAL300020142610	1	42	-1.0	-47.24	350.43	2.67	-44.57
CC(C)C1=NN=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020142611	0	43	-1.0	-47.69	350.48	0.53	-47.16
CC(C)C1=NN=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020142611	1	43	-1.0	-47.68	350.54	0.55	-47.13
CC(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C	REAL300020142612	0	42	-1.0	-48.19	332.17	4.55	-43.64
CC(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C	REAL300020142612	1	42	-1.0	-48.21	332.23	4.58	-43.63
COCCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142613	0	47	-1.0	-47.38	376.96	4.55	-42.83
COCCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142613	1	47	-1.0	-47.41	377.02	4.58	-42.83
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2)CC1	REAL300020142614	0	43	-1.0	-49.12	343.38	7.18	-41.94
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2)CC1	REAL300020142614	1	43	-1.0	-49.15	343.44	7.20	-41.95
O=C(C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142615	0	46	-1.0	-41.94	383.58	6.74	-35.20
O=C(C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142615	1	46	-1.0	-41.94	383.64	6.76	-35.18
CC(CS(C)(=O)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142616	0	38	-1.0	-49.68	312.37	0.65	-49.03
CC(CS(C)(=O)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142616	1	38	-1.0	-49.66	312.42	0.68	-48.98
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300020142617	0	53	-1.0	-49.83	375.62	9.24	-40.59
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300020142617	1	53	-1.0	-49.82	375.68	9.27	-40.55
O=C(C1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142618	0	44	-1.0	-47.95	373.79	7.78	-40.17
O=C(C1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142618	1	44	-1.0	-47.91	373.84	7.80	-40.11
CC(=O)N1CCC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142619	0	43	-1.0	-53.64	325.65	3.04	-50.60
CC(=O)N1CCC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142619	1	43	-1.0	-53.66	325.71	3.07	-50.59
N#CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142620	0	45	-1.0	-51.45	387.55	8.69	-42.76
N#CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142620	1	45	-1.0	-51.43	387.61	8.72	-42.71
CSCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020142621	0	40	-1.0	-45.25	341.88	6.35	-38.90
CSCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020142621	1	40	-1.0	-45.26	341.94	6.38	-38.88
O=C(C1=CC=CC(Cl)=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142622	0	35	-1.0	-58.23	316.04	5.83	-52.40
O=C(C1=CC=CC(Cl)=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142622	1	35	-1.0	-58.17	316.09	5.85	-52.32
O=C(CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1)NC1CCCCC1	REAL300020142623	0	53	-1.0	-60.62	414.90	4.30	-56.32
O=C(CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1)NC1CCCCC1	REAL300020142623	1	53	-1.0	-60.64	414.84	4.28	-56.36
COC1=CC=C(C(C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142624	0	46	-1.0	-46.70	359.02	5.99	-40.71
COC1=CC=C(C(C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142624	1	46	-1.0	-46.65	359.08	6.02	-40.63
CCSC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142625	0	40	-1.0	-46.96	346.84	6.76	-40.20
CCSC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142625	1	40	-1.0	-46.94	346.89	6.79	-40.15
N#CCSC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142626	0	38	-1.0	-51.54	330.94	6.02	-45.52
N#CCSC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142626	1	38	-1.0	-51.57	330.99	6.05	-45.52
CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020142627	0	41	-1.0	-52.58	330.07	6.19	-46.39
CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020142627	1	41	-1.0	-52.56	330.12	6.22	-46.34
O=C(C1=NC2=CC(Cl)=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142628	0	38	-1.0	-45.43	327.70	6.15	-39.28
O=C(C1=NC2=CC(Cl)=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142628	1	38	-1.0	-45.44	327.64	6.12	-39.32
CC(C)(C)OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142629	0	46	-1.0	-46.09	350.33	5.57	-40.52
CC(C)(C)OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142629	1	46	-1.0	-46.12	350.38	5.59	-40.53
O=C(C1=CN(C2=CC=CC(Cl)=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142630	0	40	-1.0	-47.14	343.51	8.09	-39.05
O=C(C1=CN(C2=CC=CC(Cl)=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142630	1	40	-1.0	-47.13	343.45	8.06	-39.07
CC1=CC=C(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142631	0	42	-1.0	-48.75	349.71	6.93	-41.82
CC1=CC=C(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020142631	1	42	-1.0	-48.75	349.76	6.95	-41.80
CC1(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)NC(=O)NC1=O	REAL300020142632	0	45	-1.0	-49.91	365.96	1.47	-48.44
CC1(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)NC(=O)NC1=O	REAL300020142632	1	45	-1.0	-49.89	366.01	1.49	-48.40
CC1=NC2=CC=CC=C2N1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142633	0	42	-1.0	-55.15	341.79	6.21	-48.94
CC1=NC2=CC=CC=C2N1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142633	1	42	-1.0	-55.18	341.85	6.24	-48.94
COC1=C2OC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C(C=O)C=C1	REAL300020142634	0	42	-1.0	-44.46	351.14	4.22	-40.24
COC1=C2OC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C(C=O)C=C1	REAL300020142634	1	42	-1.0	-44.43	351.19	4.24	-40.19
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020142635	0	40	-1.0	-36.28	340.28	7.24	-29.04
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020142635	1	40	-1.0	-36.31	340.33	7.26	-29.05
COC(=O)COC1=C(C)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020142636	0	49	-1.0	-48.81	398.62	6.86	-41.95
COC(=O)COC1=C(C)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020142636	1	49	-1.0	-48.80	398.68	6.89	-41.91
O=C(C1=CC(OC2=CC=CC=C2)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142637	0	43	-1.0	-40.52	354.36	6.35	-34.17
O=C(C1=CC(OC2=CC=CC=C2)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142637	1	43	-1.0	-40.49	354.30	6.32	-34.17
CC1=CC=C(SC2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCC2)C=C1	REAL300020142638	0	50	-1.0	-45.10	380.62	8.24	-36.86
CC1=CC=C(SC2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCC2)C=C1	REAL300020142638	1	50	-1.0	-45.07	380.67	8.26	-36.81
O=C(C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142639	0	45	-1.0	-45.89	375.43	7.30	-38.59
O=C(C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142639	1	45	-1.0	-45.88	375.49	7.33	-38.55
O=C(C1=CC(C(F)(F)F)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142640	0	36	-1.0	-46.63	312.92	5.45	-41.18
O=C(C1=CC(C(F)(F)F)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142640	1	36	-1.0	-46.64	312.98	5.48	-41.16
CC(SC1=CC=CC=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142641	0	39	-1.0	-47.15	325.33	5.17	-41.98
CC(SC1=CC=CC=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142641	1	39	-1.0	-47.14	325.27	5.15	-41.99
O=C(C=CSCC1=CC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142642	0	38	-1.0	-46.69	331.27	5.38	-41.31
O=C(C=CSCC1=CC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142642	1	38	-1.0	-46.66	331.33	5.40	-41.26
O=C(CC1=CC=CC(I)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142643	0	36	-1.0	-47.24	322.45	6.53	-40.71
O=C(CC1=CC=CC(I)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142643	1	36	-1.0	-47.23	322.51	6.55	-40.68
COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020142644	0	40	-1.0	-48.31	338.03	5.14	-43.17
COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020142644	1	40	-1.0	-48.32	338.09	5.17	-43.15
O=C(C1=CC(F)=CC([N+](=O)[O-])=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142645	0	35	-1.0	-44.87	319.83	5.61	-39.26
O=C(C1=CC(F)=CC([N+](=O)[O-])=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142645	1	35	-1.0	-44.87	319.88	5.64	-39.23
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142646	0	49	-1.0	-47.02	415.99	7.83	-39.19
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142646	1	49	-1.0	-47.02	416.05	7.85	-39.17
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2	REAL300020142647	0	50	-1.0	-48.79	360.54	6.82	-41.97
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2	REAL300020142647	1	50	-1.0	-48.75	360.60	6.85	-41.90
COC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020142648	0	45	-1.0	-47.68	371.88	5.46	-42.22
COC1=CC=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020142648	1	45	-1.0	-47.66	371.94	5.49	-42.17
CC1=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020142649	0	42	-1.0	-45.10	355.55	7.43	-37.67
CC1=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020142649	1	42	-1.0	-45.13	355.61	7.45	-37.68
CS(=O)(=O)NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020142650	0	41	-1.0	-54.85	351.85	-0.24	-55.09
CS(=O)(=O)NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020142650	1	41	-1.0	-54.83	351.91	-0.21	-55.04
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020142651	0	50	-1.0	-46.76	388.00	6.30	-40.46
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020142651	1	50	-1.0	-46.75	387.94	6.28	-40.47
O=C(CCCCNC(=O)OCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142652	0	53	-1.0	-53.88	431.05	5.73	-48.15
O=C(CCCCNC(=O)OCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142652	1	53	-1.0	-53.95	431.11	5.75	-48.20
CCC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142653	0	41	-1.0	-49.84	333.57	5.72	-44.12
CCC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142653	1	41	-1.0	-49.88	333.63	5.74	-44.14
CC(C)CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020142654	0	55	-1.0	-52.36	411.10	6.71	-45.65
CC(C)CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020142654	1	55	-1.0	-52.42	411.16	6.73	-45.69
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142655	0	50	-1.0	-43.75	407.92	6.20	-37.55
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142655	1	50	-1.0	-43.73	407.98	6.23	-37.50
O=C(COCC=CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142656	0	44	-1.0	-51.85	360.28	7.12	-44.73
O=C(COCC=CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142656	1	44	-1.0	-51.86	360.34	7.15	-44.71
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142657	0	45	-1.0	-42.95	384.32	1.88	-41.07
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142657	1	45	-1.0	-42.94	384.37	1.91	-41.03
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=NC=C2)=NO1	REAL300020142658	0	41	-1.0	-44.45	345.75	4.68	-39.77
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=NC=C2)=NO1	REAL300020142658	1	41	-1.0	-44.46	345.81	4.71	-39.75
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020142659	0	37	-1.0	-45.38	305.60	3.79	-41.59
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020142659	1	37	-1.0	-45.35	305.66	3.82	-41.53
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142660	0	39	-1.0	-51.66	333.56	4.18	-47.48
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142660	1	39	-1.0	-51.62	333.62	4.20	-47.42
CC(CC1=CC=C(F)C(Br)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142661	0	42	-1.0	-37.88	358.47	7.23	-30.65
CC(CC1=CC=C(F)C(Br)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142661	1	42	-1.0	-37.84	358.53	7.26	-30.58
CC1=C(S(N)(=O)=O)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020142662	0	38	-1.0	-52.09	328.04	-1.61	-53.70
CC1=C(S(N)(=O)=O)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020142662	1	38	-1.0	-52.10	328.09	-1.58	-53.68
CN1C=NC(S(=O)(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142663	0	41	-1.0	-54.36	352.84	0.21	-54.15
CN1C=NC(S(=O)(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142663	1	41	-1.0	-54.37	352.78	0.18	-54.19
CCC(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142664	0	45	-1.0	-45.25	349.10	7.01	-38.24
CCC(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142664	1	45	-1.0	-45.20	349.16	7.04	-38.16
O=C(CC1=CC=C([N+](=O)[O-])C=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142665	0	38	-1.0	-49.73	340.58	6.59	-43.14
O=C(CC1=CC=C([N+](=O)[O-])C=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142665	1	38	-1.0	-49.75	340.63	6.61	-43.14
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142666	0	41	-1.0	-50.02	344.32	6.93	-43.09
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142666	1	41	-1.0	-50.03	344.38	6.96	-43.07
O=C(C1=CN=C(CC2=CC=CC=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142667	0	42	-1.0	-38.02	358.34	6.08	-31.94
O=C(C1=CN=C(CC2=CC=CC=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142667	1	42	-1.0	-37.98	358.39	6.11	-31.87
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142668	0	43	-1.0	-46.03	364.76	7.75	-38.28
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020142668	1	43	-1.0	-46.05	364.82	7.77	-38.28
O=C(C1=CC=CC(Cl)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142669	0	33	-1.0	-50.88	292.90	5.00	-45.88
O=C(C1=CC=CC(Cl)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142669	1	33	-1.0	-50.87	292.96	5.02	-45.85
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142670	0	42	-1.0	-38.17	340.64	6.02	-32.15
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020142670	1	42	-1.0	-38.11	340.70	6.05	-32.06
N#CC1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020142671	0	34	-1.0	-47.35	307.63	5.07	-42.28
N#CC1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020142671	1	34	-1.0	-47.36	307.69	5.10	-42.26
O=C(C1=C(F)C=C(Br)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142672	0	33	-1.0	-45.14	308.07	5.31	-39.83
O=C(C1=C(F)C=C(Br)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142672	1	33	-1.0	-45.13	308.13	5.33	-39.80
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142673	0	44	-1.0	-43.68	358.59	6.26	-37.42
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142673	1	44	-1.0	-43.63	358.53	6.24	-37.39
O=C(C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142674	0	43	-1.0	-42.65	368.47	4.63	-38.02
O=C(C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142674	1	43	-1.0	-42.65	368.53	4.65	-38.00
CC1=CC=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142675	0	36	-1.0	-47.18	307.95	5.64	-41.54
CC1=CC=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142675	1	36	-1.0	-47.21	308.01	5.67	-41.54
O=C(C1=CNN=C1C1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142676	0	40	-1.0	-50.67	344.69	5.10	-45.57
O=C(C1=CNN=C1C1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142676	1	40	-1.0	-50.73	344.74	5.13	-45.60
O=C(C1=CNN=C1C1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142677	0	40	-1.0	-48.91	338.76	5.06	-43.85
O=C(C1=CNN=C1C1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142677	1	40	-1.0	-48.93	338.81	5.09	-43.84
O=C(C1=CNN=C1C1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142678	0	40	-1.0	-49.50	330.88	4.54	-44.96
O=C(C1=CNN=C1C1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142678	1	40	-1.0	-49.52	330.94	4.56	-44.96
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=C(Cl)SC(Cl)=C1	REAL300020142679	0	38	-1.0	-43.89	358.49	6.29	-37.60
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=C(Cl)SC(Cl)=C1	REAL300020142679	1	38	-1.0	-43.90	358.55	6.32	-37.58
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CSC2=CC=CC=C12	REAL300020142680	0	44	-1.0	-46.74	370.03	7.43	-39.31
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CSC2=CC=CC=C12	REAL300020142680	1	44	-1.0	-46.73	370.09	7.46	-39.27
O=C(CC1=CC=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142681	0	36	-1.0	-49.04	306.50	5.54	-43.50
O=C(CC1=CC=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142681	1	36	-1.0	-49.02	306.56	5.57	-43.45
O=C(CC1=CC=C(F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142682	0	36	-1.0	-49.36	307.38	5.56	-43.80
O=C(CC1=CC=C(F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142682	1	36	-1.0	-49.36	307.44	5.58	-43.78
O=C(CC1=C(F)C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142683	0	36	-1.0	-48.17	305.32	5.50	-42.67
O=C(CC1=C(F)C=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142683	1	36	-1.0	-48.19	305.38	5.53	-42.66
O=C(C1=CC(F)=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142684	0	36	-1.0	-42.70	315.39	5.50	-37.20
O=C(C1=CC(F)=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142684	1	36	-1.0	-42.72	315.44	5.53	-37.19
O=C(CCCC1=CSC2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142685	0	45	-1.0	-50.57	373.92	8.37	-42.20
O=C(CCCC1=CSC2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142685	1	45	-1.0	-50.58	373.98	8.40	-42.18
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142686	0	43	-1.0	-43.97	363.25	6.29	-37.68
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142686	1	43	-1.0	-44.00	363.20	6.27	-37.73
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=N2)=NO1	REAL300020142687	0	41	-1.0	-49.44	348.04	4.82	-44.62
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=N2)=NO1	REAL300020142687	1	41	-1.0	-49.46	348.10	4.85	-44.61
CC1=CC=C(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020142688	0	49	-1.0	-50.34	387.51	7.25	-43.09
CC1=CC=C(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020142688	1	49	-1.0	-50.34	387.57	7.28	-43.06
O=C(C1CC1CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142689	0	43	-1.0	-48.67	347.31	7.65	-41.02
O=C(C1CC1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142689	1	43	-1.0	-48.61	347.37	7.68	-40.93
O=C(CC1=CC=CC(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142690	0	36	-1.0	-52.03	306.42	5.55	-46.48
O=C(CC1=CC=CC(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142690	1	36	-1.0	-52.04	306.48	5.58	-46.46
CC(C)CC(C)OCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142691	0	48	-1.0	-44.44	369.96	5.37	-39.07
CC(C)CC(C)OCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142691	1	48	-1.0	-44.43	370.01	5.39	-39.04
O=C(CCCC1=C(Cl)SC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142692	0	39	-1.0	-47.85	360.00	7.14	-40.71
O=C(CCCC1=C(Cl)SC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142692	1	39	-1.0	-47.88	360.06	7.16	-40.72
O=C(OCC1=CC=CC=C1)N1CCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142693	0	51	-1.0	-58.23	409.07	6.95	-51.28
O=C(OCC1=CC=CC=C1)N1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142693	1	51	-1.0	-58.24	409.12	6.98	-51.26
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020142694	0	49	-2.0	-109.98	395.53	6.13	-103.85
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020142694	1	49	-2.0	-110.02	395.59	6.15	-103.87
CCN(CC)C(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142695	0	45	-1.0	-45.29	353.85	4.66	-40.63
CCN(CC)C(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142695	1	45	-1.0	-45.29	353.91	4.69	-40.60
O=C(C1=CC=CC(OC(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142696	0	37	-1.0	-42.94	315.90	4.23	-38.71
O=C(C1=CC=CC(OC(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142696	1	37	-1.0	-42.93	315.96	4.25	-38.68
CC1=CC(Cl)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142697	0	36	-1.0	-45.47	308.06	5.59	-39.88
CC1=CC(Cl)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142697	1	36	-1.0	-45.46	308.12	5.61	-39.85
CC1=CC=C(I)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142698	0	36	-1.0	-43.03	315.83	6.15	-36.88
CC1=CC=C(I)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142698	1	36	-1.0	-43.03	315.88	6.18	-36.85
O=C(CCSC1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142699	0	39	-1.0	-50.16	333.00	5.14	-45.02
O=C(CCSC1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142699	1	39	-1.0	-50.16	332.95	5.12	-45.04
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142700	0	44	-1.0	-45.93	368.17	-0.80	-46.73
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142700	1	44	-1.0	-45.90	368.11	-0.82	-46.72
COC(=O)NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020142701	0	44	-1.0	-47.51	373.85	3.59	-43.92
COC(=O)NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020142701	1	44	-1.0	-47.55	373.91	3.61	-43.94
O=C(C1=CC=C(Br)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142702	0	33	-1.0	-41.71	306.57	5.51	-36.20
O=C(C1=CC=C(Br)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142702	1	33	-1.0	-41.72	306.63	5.53	-36.19
O=C(C1=CC=NC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142703	0	32	-1.0	-45.49	284.67	3.28	-42.21
O=C(C1=CC=NC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142703	1	32	-1.0	-45.52	284.61	3.26	-42.26
COC1=C(S(N)(=O)=O)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142704	0	39	-1.0	-44.04	344.82	-2.21	-46.25
COC1=C(S(N)(=O)=O)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142704	1	39	-1.0	-44.05	344.87	-2.19	-46.24
CSC1=NC(=O)NC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142705	0	39	-1.0	-48.41	334.27	1.48	-46.93
CSC1=NC(=O)NC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142705	1	39	-1.0	-48.39	334.33	1.51	-46.88
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020142706	0	42	0.0	-49.03	336.86	5.40	-43.63
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020142706	1	42	0.0	-49.04	336.92	5.43	-43.61
CN(C)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020142706	1	41	-1.0	-38.40	334.60	2.92	-35.48
CN(C)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020142706	1	41	-1.0	-38.41	334.66	2.95	-35.46
COC1=CC=C2OCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020142707	0	43	-1.0	-40.93	349.94	4.36	-36.57
COC1=CC=C2OCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020142707	1	43	-1.0	-40.93	349.99	4.38	-36.55
O=C(C1=CC(C2=CC=CC=C2F)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142708	0	40	-1.0	-45.75	332.92	4.98	-40.77
O=C(C1=CC(C2=CC=CC=C2F)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142708	1	40	-1.0	-45.74	332.98	5.01	-40.73
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC3CC(CC(F)(C3)C1)C2	REAL300020142709	0	47	-1.0	-48.99	331.56	6.13	-42.86
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC3CC(CC(F)(C3)C1)C2	REAL300020142709	1	47	-1.0	-48.99	331.61	6.15	-42.84
CC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142710	0	43	-1.0	-42.00	341.71	4.49	-37.51
CC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142710	1	43	-1.0	-42.05	341.77	4.51	-37.54
O=C(C1=NN(C2CCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142711	0	43	-1.0	-43.25	335.58	5.50	-37.75
O=C(C1=NN(C2CCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142711	1	43	-1.0	-43.26	335.53	5.48	-37.78
CC1=NC(CC(C)C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142712	0	44	-1.0	-43.08	344.29	4.64	-38.44
CC1=NC(CC(C)C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020142712	1	44	-1.0	-43.08	344.35	4.67	-38.41
CC(C)CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020142713	0	48	-1.0	-47.30	339.35	6.01	-41.29
CC(C)CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020142713	1	48	-1.0	-47.29	339.40	6.03	-41.26
CC(C)CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCCCC1=O	REAL300020142714	0	52	-1.0	-55.55	381.91	7.44	-48.11
CC(C)CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCCCC1=O	REAL300020142714	1	52	-1.0	-55.56	381.97	7.47	-48.09
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142715	0	45	-1.0	-42.57	375.48	3.88	-38.69
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142715	1	45	-1.0	-42.58	375.54	3.91	-38.67
CC(CSC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142716	0	43	-1.0	-45.07	357.72	7.16	-37.91
CC(CSC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142716	1	43	-1.0	-45.11	357.78	7.19	-37.92
CCC1=NOC(CC)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142717	0	44	-1.0	-50.17	354.18	5.73	-44.44
CCC1=NOC(CC)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142717	1	44	-1.0	-50.17	354.24	5.76	-44.41
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142718	0	44	-1.0	-48.84	342.16	5.97	-42.87
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142718	1	44	-1.0	-48.86	342.22	6.00	-42.86
CC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020142719	0	38	-1.0	-49.87	320.94	3.84	-46.03
CC1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020142719	1	38	-1.0	-49.89	320.99	3.87	-46.02
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142720	0	43	-1.0	-47.47	359.21	4.26	-43.21
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142720	1	43	-1.0	-47.43	359.27	4.28	-43.15
CN1C=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020142721	0	46	-1.0	-48.62	370.42	8.02	-40.60
CN1C=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020142721	1	46	-1.0	-48.68	370.48	8.05	-40.63
O=C(CCC1=CC=C2OCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142722	0	44	-1.0	-47.33	351.99	6.11	-41.22
O=C(CCC1=CC=C2OCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142722	1	44	-1.0	-47.38	352.05	6.14	-41.24
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=CC=N2)CC1	REAL300020142723	0	54	-1.0	-48.02	419.58	5.13	-42.89
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC=N2)CC1	REAL300020142723	1	54	-1.0	-47.99	419.64	5.16	-42.83
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=CC=C2)CC1	REAL300020142724	0	55	-1.0	-45.85	421.93	5.70	-40.15
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC=C2)CC1	REAL300020142724	1	55	-1.0	-45.82	421.98	5.72	-40.10
CCCCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020142725	0	50	-1.0	-46.10	364.25	7.18	-38.92
CCCCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020142725	1	50	-1.0	-46.12	364.30	7.21	-38.91
COC1=C(F)C=CC(F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142726	0	37	-1.0	-47.35	319.76	4.16	-43.19
COC1=C(F)C=CC(F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142726	1	37	-1.0	-47.33	319.82	4.19	-43.14
CC(O)C1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020142727	0	39	-1.0	-59.37	322.12	-0.44	-59.81
CC(O)C1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020142727	1	39	-1.0	-59.39	322.18	-0.41	-59.80
O=C(C1=CC=NN1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142728	0	43	-1.0	-44.80	331.91	5.13	-39.67
O=C(C1=CC=NN1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142728	1	43	-1.0	-44.78	331.85	5.10	-39.68
COC1=CC=C(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142729	0	46	-1.0	-45.79	339.88	5.36	-40.43
COC1=CC=C(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142729	1	46	-1.0	-45.82	339.94	5.38	-40.44
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCN(C2=NC=CC=N2)CC1	REAL300020142730	0	53	-1.0	-49.37	415.97	5.37	-44.00
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCN(C2=NC=CC=N2)CC1	REAL300020142730	1	53	-1.0	-49.37	415.91	5.35	-44.02
CCOCCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020142731	0	49	-1.0	-46.87	360.76	4.92	-41.95
CCOCCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020142731	1	49	-1.0	-46.82	360.81	4.95	-41.87
O=C(C1=CN=CC(OCC(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142732	0	39	-1.0	-50.73	329.81	3.11	-47.62
O=C(C1=CN=CC(OCC(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142732	1	39	-1.0	-50.69	329.75	3.08	-47.61
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142733	0	45	-1.0	-45.10	354.21	7.04	-38.06
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142733	1	45	-1.0	-45.06	354.27	7.06	-38.00
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020142734	0	44	-1.0	-51.16	362.62	1.36	-49.80
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020142734	1	44	-1.0	-51.14	362.68	1.38	-49.76
CCC1=NC(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=NN1	REAL300020142735	0	45	-1.0	-49.02	369.02	5.79	-43.23
CCC1=NC(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=NN1	REAL300020142735	1	45	-1.0	-49.00	369.08	5.82	-43.18
O=C(C1=CC(Br)=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142736	0	35	-1.0	-41.44	319.39	5.70	-35.74
O=C(C1=CC(Br)=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142736	1	35	-1.0	-41.49	319.44	5.72	-35.77
COC(=O)C1=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1	REAL300020142737	0	43	-1.0	-48.14	355.20	4.16	-43.98
COC(=O)C1=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020142737	1	43	-1.0	-48.16	355.26	4.18	-43.98
O=C(C#CC1=CC=C2OCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142738	0	38	-1.0	-47.25	328.55	4.79	-42.46
O=C(C#CC1=CC=C2OCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142738	1	38	-1.0	-47.25	328.61	4.82	-42.43
O=C(C=CC1=CC=CC(CO)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142739	0	41	-1.0	-40.32	336.31	3.25	-37.07
O=C(C=CC1=CC=CC(CO)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142739	1	41	-1.0	-40.34	336.37	3.27	-37.07
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142740	0	48	-1.0	-59.63	371.59	3.49	-56.14
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142740	1	48	-1.0	-59.67	371.65	3.51	-56.16
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S(=O)(=O)CCO1	REAL300020142741	0	38	-1.0	-61.14	317.83	-0.11	-61.25
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S(=O)(=O)CCO1	REAL300020142741	1	38	-1.0	-61.12	317.89	-0.09	-61.21
CC1=CC=C(C2=CN=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020142742	0	45	-1.0	-45.27	361.22	6.68	-38.59
CC1=CC=C(C2=CN=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020142742	1	45	-1.0	-45.26	361.16	6.66	-38.60
COC1=CC=C(C2=CN=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020142743	0	46	-1.0	-45.95	369.27	5.30	-40.65
COC1=CC=C(C2=CN=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020142743	1	46	-1.0	-45.96	369.21	5.28	-40.68
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142744	0	43	-1.0	-50.62	365.60	6.12	-44.50
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142744	1	43	-1.0	-50.61	365.66	6.15	-44.46
CC1=CC=CC(I)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142745	0	36	-1.0	-45.93	320.00	6.13	-39.80
CC1=CC=CC(I)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142745	1	36	-1.0	-45.95	320.05	6.15	-39.80
O=C(C1=CN=CC(C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142746	0	42	-1.0	-45.21	339.19	6.09	-39.12
O=C(C1=CN=CC(C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142746	1	42	-1.0	-45.19	339.14	6.06	-39.13
O=C(C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142747	0	42	-1.0	-44.88	356.54	6.53	-38.35
O=C(C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142747	1	42	-1.0	-44.88	356.49	6.50	-38.38
O=C(C1=CC=C(F)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142748	0	35	-1.0	-54.57	301.26	5.98	-48.59
O=C(C1=CC=C(F)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142748	1	35	-1.0	-54.57	301.32	6.01	-48.56
CCC(CC1=CC=CC=C1Br)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142749	0	45	-1.0	-43.74	363.48	7.51	-36.23
CCC(CC1=CC=CC=C1Br)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142749	1	45	-1.0	-43.73	363.53	7.53	-36.20
O=C(C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142750	0	47	-1.0	-41.27	375.12	5.95	-35.32
O=C(C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142750	1	47	-1.0	-41.25	375.07	5.92	-35.33
COC1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1F	REAL300020142751	0	37	-1.0	-51.84	316.07	3.99	-47.85
COC1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1F	REAL300020142751	1	37	-1.0	-51.89	316.13	4.01	-47.88
CCC(CC)N1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142752	0	45	-1.0	-44.58	347.73	5.31	-39.27
CCC(CC)N1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142752	1	45	-1.0	-44.61	347.67	5.28	-39.33
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2)CCC1	REAL300020142753	0	46	-1.0	-49.92	352.94	7.38	-42.54
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2)CCC1	REAL300020142753	1	46	-1.0	-49.91	353.00	7.41	-42.50
COC1=CC=C(Br)C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142754	0	40	-1.0	-47.96	341.83	5.21	-42.75
COC1=CC=C(Br)C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142754	1	40	-1.0	-47.94	341.89	5.23	-42.71
CC1=CC2=C(N3CCCC3C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020142755	0	49	-1.0	-53.77	391.55	6.46	-47.31
CC1=CC2=C(N3CCCC3C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020142755	1	49	-1.0	-53.75	391.49	6.44	-47.31
O=C(C1CCCC2=NNC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142756	0	40	-1.0	-48.41	313.21	3.33	-45.08
O=C(C1CCCC2=NNC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142756	1	40	-1.0	-48.41	313.27	3.35	-45.06
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020142757	0	36	-1.0	-39.62	308.12	3.50	-36.12
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020142757	1	36	-1.0	-39.63	308.18	3.52	-36.11
CC1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020142758	0	36	-1.0	-46.28	303.43	5.21	-41.07
CC1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020142758	1	36	-1.0	-46.29	303.49	5.23	-41.06
CCOCCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020142759	0	46	-1.0	-46.60	348.84	4.50	-42.10
CCOCCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020142759	1	46	-1.0	-46.61	348.90	4.53	-42.08
CCCOC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142760	0	46	-1.0	-49.43	367.52	6.46	-42.97
CCCOC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142760	1	46	-1.0	-49.40	367.58	6.49	-42.91
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142761	0	43	-1.0	-45.82	364.72	6.36	-39.46
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142761	1	43	-1.0	-45.87	364.66	6.34	-39.53
O=C(C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142762	0	52	-1.0	-46.31	405.32	9.44	-36.87
O=C(C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142762	1	52	-1.0	-46.31	405.38	9.47	-36.84
O=C(C1=CC=CC(OCC(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142763	0	40	-1.0	-47.97	340.83	5.11	-42.86
O=C(C1=CC=CC(OCC(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142763	1	40	-1.0	-47.92	340.89	5.14	-42.78
COCCCS(=O)(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142764	0	44	-1.0	-56.98	367.82	-1.34	-58.32
COCCCS(=O)(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142764	1	44	-1.0	-56.97	367.88	-1.31	-58.28
CCC(CC)N1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020142765	0	45	-1.0	-43.89	351.91	5.69	-38.20
CCC(CC)N1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020142765	1	45	-1.0	-43.92	351.85	5.67	-38.25
N#CC1=CC=CC=C1NC(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142766	0	47	-1.0	-57.44	390.40	5.75	-51.69
N#CC1=CC=CC=C1NC(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142766	1	47	-1.0	-57.40	390.46	5.78	-51.62
CC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142767	0	46	-1.0	-58.47	350.72	0.20	-58.27
CC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142767	1	46	-1.0	-58.47	350.78	0.23	-58.24
O=C(C1=CC=C(SC2CCOC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142768	0	44	-1.0	-52.06	362.98	6.59	-45.47
O=C(C1=CC=C(SC2CCOC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142768	1	44	-1.0	-52.07	363.04	6.62	-45.45
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC=N1	REAL300020142769	0	35	-1.0	-46.32	295.47	4.38	-41.94
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC=N1	REAL300020142769	1	35	-1.0	-46.33	295.42	4.35	-41.98
COC1=CC=C(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020142770	0	50	-1.0	-47.01	370.98	5.10	-41.91
COC1=CC=C(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020142770	1	50	-1.0	-47.07	371.03	5.12	-41.95
CC1=CC=CC(C2=CN=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020142771	0	45	-1.0	-45.00	360.62	6.75	-38.25
CC1=CC=CC(C2=CN=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020142771	1	45	-1.0	-45.03	360.57	6.73	-38.30
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020142772	0	39	-1.0	-42.91	327.79	5.06	-37.85
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020142772	1	39	-1.0	-42.91	327.85	5.08	-37.83
CC1(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)NC(=O)NC1=O	REAL300020142773	0	45	-1.0	-49.30	364.93	1.20	-48.10
CC1(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)NC(=O)NC1=O	REAL300020142773	1	45	-1.0	-49.35	364.99	1.23	-48.12
CC1(C)C(=O)NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020142774	0	44	-1.0	-47.46	353.80	3.95	-43.51
CC1(C)C(=O)NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020142774	1	44	-1.0	-47.42	353.86	3.97	-43.45
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)N1CCCC(C3=N[N-]N=N3)C1)C2=O	REAL300020142775	0	54	-1.0	-53.16	404.54	4.91	-48.25
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)N1CCCC(C3=NN=N[N-]3)C1)C2=O	REAL300020142775	1	54	-1.0	-53.16	404.60	4.94	-48.22
O=C(C1=C(F)C=CC(OC(F)F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142776	0	37	-1.0	-49.29	325.84	4.27	-45.02
O=C(C1=C(F)C=CC(OC(F)F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142776	1	37	-1.0	-49.30	325.89	4.29	-45.01
CC(C)OC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020142777	0	42	-1.0	-46.83	339.09	3.03	-43.80
CC(C)OC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020142777	1	42	-1.0	-46.87	339.03	3.00	-43.87
O=C(CSC1=NC2=CC=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142778	0	40	-1.0	-46.94	342.64	4.89	-42.05
O=C(CSC1=NC2=CC=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142778	1	40	-1.0	-46.95	342.70	4.92	-42.03
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142779	0	35	-2.0	-79.10	305.59	3.00	-76.10
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142779	1	35	-2.0	-79.09	305.64	3.02	-76.07
O=C(C1=CC(O)=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142779	1	36	-1.0	-49.24	309.15	2.24	-47.00
O=C(C1=CC(O)=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142779	1	36	-1.0	-49.22	309.21	2.27	-46.95
N#CC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020142780	0	33	-1.0	-38.43	300.76	4.23	-34.20
N#CC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020142780	1	33	-1.0	-38.42	300.71	4.20	-34.22
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142781	0	44	-1.0	-57.90	369.61	6.38	-51.52
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142781	1	44	-1.0	-57.91	369.56	6.35	-51.56
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142782	0	49	-2.0	-91.28	410.98	3.63	-87.65
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020142782	1	49	-2.0	-91.30	411.04	3.66	-87.64
CC(C)CC1=NN=C(NC(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142782	1	50	-1.0	-51.53	414.29	4.77	-46.76
CNC(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020142783	0	39	-1.0	-45.64	321.37	1.84	-43.80
CNC(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020142783	1	39	-1.0	-45.64	321.31	1.82	-43.82
CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020142784	0	39	-1.0	-47.21	330.32	6.53	-40.68
CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020142784	1	39	-1.0	-47.21	330.37	6.56	-40.65
CCCN1N=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020142785	0	45	-1.0	-45.72	362.16	5.10	-40.62
CCCN1N=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020142785	1	45	-1.0	-45.75	362.22	5.13	-40.62
O=C(C1=CC=NC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142786	0	32	-1.0	-45.00	286.87	3.21	-41.79
O=C(C1=CC=NC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142786	1	32	-1.0	-45.00	286.81	3.18	-41.82
O=C(C1=CC=C(F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142787	0	33	-1.0	-42.07	293.04	5.00	-37.07
O=C(C1=CC=C(F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142787	1	33	-1.0	-42.04	293.10	5.02	-37.02
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300020142788	0	40	-1.0	-45.98	339.89	6.90	-39.08
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300020142788	1	40	-1.0	-45.97	339.95	6.93	-39.04
O=C(C1=CN(CC2=CC=CC(F)=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142789	0	42	-1.0	-47.66	355.75	5.25	-42.41
O=C(C1=CN(CC2=CC=CC(F)=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142789	1	42	-1.0	-47.63	355.70	5.23	-42.40
O=C(C1=CC=C(F)C=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142790	0	36	-1.0	-47.38	310.78	5.48	-41.90
O=C(C1=CC=C(F)C=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142790	1	36	-1.0	-47.32	310.84	5.50	-41.82
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142791	0	40	-1.0	-45.70	341.37	3.83	-41.87
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142791	1	40	-1.0	-45.72	341.43	3.85	-41.87
CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020142792	0	40	-1.0	-46.66	338.13	3.76	-42.90
CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020142792	1	40	-1.0	-46.72	338.19	3.79	-42.93
O=C(C1=C(F)C=C2NC(=O)CCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142793	0	41	-1.0	-52.08	336.42	3.69	-48.39
O=C(C1=C(F)C=C2NC(=O)CCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142793	1	41	-1.0	-52.07	336.47	3.71	-48.36
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(SC2=CC=CC=C2)=N1	REAL300020142794	0	46	-1.0	-41.98	387.58	7.56	-34.42
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(SC2=CC=CC=C2)=N1	REAL300020142794	1	46	-1.0	-41.94	387.64	7.59	-34.35
O=C(CCC1=NC(C2CCCC2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142795	0	47	-1.0	-45.68	373.22	4.21	-41.47
O=C(CCC1=NC(C2CCCC2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142795	1	47	-1.0	-45.66	373.27	4.23	-41.43
CCCC(O)(CCC)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142796	0	48	-1.0	-49.63	355.47	4.38	-45.25
CCCC(O)(CCC)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142796	1	48	-1.0	-49.63	355.52	4.41	-45.22
O=C(CSC1=CC=C(O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142797	0	38	-1.0	-49.11	324.24	3.11	-46.00
O=C(CSC1=CC=C(O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142797	1	38	-1.0	-49.10	324.29	3.13	-45.97
CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142798	0	52	-1.0	-46.81	411.59	7.30	-39.51
CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142798	1	52	-1.0	-46.83	411.65	7.32	-39.51
CC(C)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020142799	0	41	-1.0	-46.00	324.98	5.29	-40.71
CC(C)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020142799	1	41	-1.0	-45.98	325.04	5.31	-40.67
O=C(CC1=CC=C(F)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142800	0	36	-1.0	-47.55	314.95	5.92	-41.63
O=C(CC1=CC=C(F)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142800	1	36	-1.0	-47.53	315.01	5.95	-41.58
CCOCCS(=O)(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142801	0	44	-1.0	-53.70	368.14	-1.18	-54.88
CCOCCS(=O)(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142801	1	44	-1.0	-53.73	368.19	-1.16	-54.89
CC(C)(C)OC(=O)NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NS1	REAL300020142802	0	45	-1.0	-39.97	368.43	2.00	-37.97
CC(C)(C)OC(=O)NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NS1	REAL300020142802	1	45	-1.0	-39.91	368.49	2.02	-37.89
CCC1=NNC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1CC	REAL300020142803	0	44	-1.0	-54.74	349.97	2.82	-51.92
CCC1=NNC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1CC	REAL300020142803	1	44	-1.0	-54.73	350.03	2.85	-51.88
O=C(CC1=CC(F)=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142804	0	36	-1.0	-47.79	312.86	5.60	-42.19
O=C(CC1=CC(F)=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142804	1	36	-1.0	-47.77	312.91	5.62	-42.15
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020142805	0	36	-1.0	-43.86	305.90	5.53	-38.33
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020142805	1	36	-1.0	-43.83	305.96	5.56	-38.27
COC1=CC=CC(OC)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142806	0	41	-1.0	-53.15	332.69	3.30	-49.85
COC1=CC=CC(OC)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142806	1	41	-1.0	-53.18	332.75	3.33	-49.85
O=C(C1=NOC(C2=CC=C(F)C=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142807	0	39	-1.0	-42.55	332.11	6.12	-36.43
O=C(C1=NOC(C2=CC=C(F)C=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142807	1	39	-1.0	-42.55	332.05	6.09	-36.46
O=C(C1=CC=CC=C1COC1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142808	0	51	-1.0	-46.26	392.86	5.53	-40.73
O=C(C1=CC=CC=C1COC1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142808	1	51	-1.0	-46.23	392.91	5.56	-40.67
COC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020142809	0	44	-1.0	-51.32	353.14	5.39	-45.93
COC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020142809	1	44	-1.0	-51.31	353.20	5.41	-45.90
CCN1N=C(C(F)(F)F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C(F)F	REAL300020142810	0	42	-1.0	-50.92	366.66	4.73	-46.19
CCN1N=C(C(F)(F)F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C(F)F	REAL300020142810	1	42	-1.0	-50.92	366.72	4.75	-46.17
O=C(C1=CNN=C1C1=C(F)C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142811	0	40	-1.0	-53.37	342.50	4.45	-48.92
O=C(C1=CNN=C1C1=C(F)C=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142811	1	40	-1.0	-53.38	342.56	4.48	-48.90
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020142812	0	47	-1.0	-40.45	369.63	5.87	-34.58
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020142812	1	47	-1.0	-40.48	369.68	5.90	-34.58
CC(O)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020142813	0	43	-1.0	-43.34	346.84	4.06	-39.28
CC(O)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020142813	1	43	-1.0	-43.37	346.89	4.08	-39.29
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020142814	0	53	0.0	-64.96	389.94	5.12	-59.84
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020142814	1	53	0.0	-65.41	389.89	5.09	-60.32
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020142814	1	53	0.0	-64.99	389.99	5.15	-59.84
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020142814	1	53	0.0	-65.41	389.95	5.12	-60.29
CCC(OC1CCCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142815	0	49	-1.0	-47.72	367.81	6.68	-41.04
CCC(OC1CCCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142815	1	49	-1.0	-47.73	367.87	6.70	-41.03
O=C(C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142816	0	43	-1.0	-58.58	369.05	6.62	-51.96
O=C(C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142816	1	43	-1.0	-58.58	368.99	6.60	-51.98
O=C(CN1C=C(C2CC2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142817	0	39	-1.0	-59.88	320.67	3.61	-56.27
O=C(CN1C=C(C2CC2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142817	1	39	-1.0	-59.85	320.73	3.63	-56.22
O=C(CCCC1=CC=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142818	0	42	-1.0	-48.99	358.90	7.66	-41.33
O=C(CCCC1=CC=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142818	1	42	-1.0	-48.98	358.95	7.68	-41.30
COCCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020142819	0	46	-1.0	-46.62	338.91	3.96	-42.66
COCCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020142819	1	46	-1.0	-46.62	338.96	3.98	-42.64
CCS(=O)(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142820	0	37	-1.0	-55.31	312.65	-1.21	-56.52
CCS(=O)(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142820	1	37	-1.0	-55.30	312.70	-1.18	-56.48
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142821	0	42	-1.0	-46.33	358.93	-2.17	-48.50
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142821	1	42	-1.0	-46.34	358.99	-2.14	-48.48
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020142822	0	55	-1.0	-42.81	398.60	4.44	-38.37
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020142822	1	55	-1.0	-42.80	398.65	4.46	-38.34
CC(C)(C)OC(=O)N(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020142823	0	53	-1.0	-54.00	419.91	7.82	-46.18
CC(C)(C)OC(=O)N(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020142823	1	53	-1.0	-54.05	419.97	7.84	-46.21
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142824	0	55	-1.0	-43.33	407.57	4.59	-38.74
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142824	1	55	-1.0	-43.37	407.63	4.62	-38.75
CC(C)(C)OC(=O)N1CCCC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142825	0	57	-1.0	-50.91	434.23	6.16	-44.75
CC(C)(C)OC(=O)N1CCCC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142825	1	57	-1.0	-50.94	434.29	6.18	-44.76
O=C(CSC1=NC=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142826	0	42	-1.0	-48.16	354.64	6.61	-41.55
O=C(CSC1=NC=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142826	1	42	-1.0	-48.13	354.58	6.58	-41.55
CC1=CC=C(C2=NC(SCC(=O)N3CCCC(C4=N[N-]N=N4)C3)=NN2)C=C1	REAL300020142827	0	46	-1.0	-50.11	392.65	6.66	-43.45
CC1=CC=C(C2=NC(SCC(=O)N3CCCC(C4=NN=N[N-]4)C3)=NN2)C=C1	REAL300020142827	1	46	-1.0	-50.08	392.71	6.69	-43.39
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142828	0	46	-2.0	-91.22	392.05	2.86	-88.36
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020142828	1	46	-2.0	-91.25	392.11	2.88	-88.37
CC(C)C1=NN=C(NC(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142828	1	47	-1.0	-51.62	395.35	3.99	-47.63
CC(C)C1=NN=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020142829	0	41	-1.0	-42.21	340.94	0.39	-41.82
CC(C)C1=NN=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020142829	1	41	-1.0	-42.23	341.00	0.42	-41.81
CC(C)(C)OC1=CC=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020142830	0	51	-1.0	-45.50	394.18	6.43	-39.07
CC(C)(C)OC1=CC=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020142830	1	51	-1.0	-45.51	394.24	6.45	-39.06
CC1=CC=C(N2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(C(C)(C)C)=N2)C=C1	REAL300020142831	0	55	-1.0	-45.85	425.68	8.61	-37.24
CC1=CC=C(N2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(C(C)(C)C)=N2)C=C1	REAL300020142831	1	55	-1.0	-45.87	425.62	8.58	-37.29
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142832	0	52	-1.0	-46.31	404.35	7.95	-38.36
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142832	1	52	-1.0	-46.36	404.29	7.93	-38.43
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(Br)S1	REAL300020142833	0	33	-1.0	-46.08	302.89	4.92	-41.16
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(Br)S1	REAL300020142833	1	33	-1.0	-46.04	302.94	4.94	-41.10
CSC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(Cl)C=C1Cl	REAL300020142834	0	37	-1.0	-43.44	341.54	6.41	-37.03
CSC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(Cl)C=C1Cl	REAL300020142834	1	37	-1.0	-43.46	341.60	6.43	-37.03
O=C(C1=CC=C2SC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142835	0	36	-1.0	-38.20	306.90	5.78	-32.42
O=C(C1=CC=C2SC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142835	1	36	-1.0	-38.18	306.96	5.81	-32.37
CC(OC1CCCCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142836	0	49	-1.0	-48.51	354.70	6.23	-42.28
CC(OC1CCCCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142836	1	49	-1.0	-48.57	354.75	6.26	-42.31
CC(=O)NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020142837	0	43	-1.0	-49.79	364.71	4.31	-45.48
CC(=O)NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020142837	1	43	-1.0	-49.79	364.77	4.33	-45.46
O=C(C1=CC=C(C2CC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142838	0	37	-1.0	-38.43	311.79	5.73	-32.70
O=C(C1=CC=C(C2CC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142838	1	37	-1.0	-38.43	311.85	5.76	-32.67
CC1=C(I)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142839	0	36	-1.0	-44.84	312.61	6.00	-38.84
CC1=C(I)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142839	1	36	-1.0	-44.84	312.67	6.03	-38.81
O=C(CCC1=NN=C(C2CCCC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142840	0	47	-1.0	-47.48	373.55	1.81	-45.67
O=C(CCC1=NN=C(C2CCCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142840	1	47	-1.0	-47.54	373.61	1.83	-45.71
CC1=CC=C(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020142841	0	46	-1.0	-52.49	383.47	7.06	-45.43
CC1=CC=C(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020142841	1	46	-1.0	-52.48	383.53	7.08	-45.40
O=C(CCCC1=CC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142842	0	42	-1.0	-48.79	353.80	7.48	-41.31
O=C(CCCC1=CC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142842	1	42	-1.0	-48.79	353.86	7.51	-41.28
CC(CNC(=O)OC(C)(C)C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142843	0	52	-1.0	-48.23	397.44	3.75	-44.48
CC(CNC(=O)OC(C)(C)C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142843	1	52	-1.0	-48.20	397.49	3.77	-44.43
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142844	0	45	-1.0	-55.20	386.17	1.96	-53.24
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142844	1	45	-1.0	-55.12	386.23	1.98	-53.14
O=C(C1=CC(F)=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142845	0	33	-1.0	-42.20	293.08	5.00	-37.20
O=C(C1=CC(F)=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142845	1	33	-1.0	-42.21	293.14	5.03	-37.18
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142846	0	48	-1.0	-48.66	397.44	8.28	-40.38
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142846	1	48	-1.0	-48.67	397.50	8.30	-40.37
O=C(CC1=CN=C2NC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142847	0	39	-1.0	-59.90	320.98	4.74	-55.16
O=C(CC1=CN=C2NC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142847	1	39	-1.0	-59.90	321.04	4.76	-55.14
COC1=CC=CC(OC)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142848	0	44	-1.0	-49.97	351.01	4.19	-45.78
COC1=CC=CC(OC)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142848	1	44	-1.0	-50.02	351.07	4.21	-45.81
O=C(CC1=NN(C2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142849	0	43	-1.0	-57.81	352.77	6.61	-51.20
O=C(CC1=NN(C2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142849	1	43	-1.0	-57.84	352.82	6.63	-51.21
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142850	0	47	-1.0	-54.10	368.50	3.46	-50.64
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142850	1	47	-1.0	-54.11	368.56	3.49	-50.62
O=C(C1=CC=C(Cl)C=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142851	0	33	-1.0	-36.04	305.95	5.53	-30.51
O=C(C1=CC=C(Cl)C=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142851	1	33	-1.0	-36.03	306.01	5.56	-30.47
CC(C)(C)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142852	0	48	-1.0	-47.45	370.87	7.76	-39.69
CC(C)(C)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142852	1	48	-1.0	-47.46	370.93	7.78	-39.68
CC(C)OC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142853	0	42	-1.0	-43.65	333.32	3.42	-40.23
CC(C)OC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142853	1	42	-1.0	-43.64	333.26	3.40	-40.24
CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142854	0	52	-1.0	-51.72	385.94	3.20	-48.52
CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142854	1	52	-1.0	-51.72	386.00	3.22	-48.50
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020142855	0	56	-1.0	-47.38	412.42	4.27	-43.11
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020142855	1	56	-1.0	-47.34	412.48	4.30	-43.04
CC1=NN(C)C(C)=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142856	0	43	-1.0	-51.56	351.55	4.31	-47.25
CC1=NN(C)C(C)=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142856	1	43	-1.0	-51.56	351.61	4.34	-47.22
O=C(C1=CN2C(=NN=C2C(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142857	0	38	-1.0	-48.23	324.67	5.65	-42.58
O=C(C1=CN2C(=NN=C2C(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142857	1	38	-1.0	-48.24	324.73	5.67	-42.57
CS(=O)(=O)N1CCN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142858	0	46	-1.0	-49.61	360.20	-1.07	-50.68
CS(=O)(=O)N1CCN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142858	1	46	-1.0	-49.61	360.26	-1.05	-50.66
O=C(C1=CN(C2=CC=CN=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142859	0	39	-1.0	-47.65	323.16	3.79	-43.86
O=C(C1=CN(C2=CC=CN=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142859	1	39	-1.0	-47.66	323.10	3.76	-43.90
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142860	0	45	-1.0	-54.49	369.18	8.26	-46.23
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142860	1	45	-1.0	-54.54	369.24	8.28	-46.26
CC(C)(C)OC(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142861	0	48	-1.0	-51.98	379.61	7.12	-44.86
CC(C)(C)OC(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142861	1	48	-1.0	-52.06	379.67	7.14	-44.92
CC1CCCC(OCCCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020142862	0	58	-1.0	-48.48	435.38	8.26	-40.22
CC1CCCC(OCCCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020142862	1	58	-1.0	-48.49	435.43	8.28	-40.21
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142863	0	50	-1.0	-46.46	398.04	0.03	-46.43
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142863	1	50	-1.0	-46.46	398.10	0.06	-46.40
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1CCOCC1	REAL300020142864	0	47	-1.0	-46.40	366.41	3.73	-42.67
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1CCOCC1	REAL300020142864	1	47	-1.0	-46.43	366.47	3.76	-42.67
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142865	0	50	-1.0	-53.22	392.98	1.99	-51.23
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142865	1	50	-1.0	-53.30	393.04	2.01	-51.29
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142866	0	43	-1.0	-49.91	354.64	7.28	-42.63
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142866	1	43	-1.0	-49.94	354.58	7.26	-42.68
CCCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020142867	0	46	-1.0	-45.14	359.99	5.69	-39.45
CCCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020142867	1	46	-1.0	-45.14	360.05	5.71	-39.43
O=C(C(O)CCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142868	0	43	-1.0	-46.93	343.20	4.68	-42.25
O=C(C(O)CCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142868	1	43	-1.0	-46.91	343.26	4.71	-42.20
O=C([C@H](O)C1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142869	0	37	-1.0	-43.73	307.38	2.98	-40.75
O=C([C@H](O)C1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142869	1	37	-1.0	-43.73	307.44	3.01	-40.72
COC1=CC=CC(C(O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142870	0	41	-1.0	-45.72	326.27	2.42	-43.30
COC1=CC=CC(C(O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142870	1	41	-1.0	-45.74	326.33	2.44	-43.30
O=C(C1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142871	0	35	-1.0	-45.03	310.48	5.45	-39.58
O=C(C1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142871	1	35	-1.0	-45.07	310.54	5.48	-39.59
COC(=O)CC(C)(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142872	0	44	-1.0	-52.28	334.05	4.88	-47.40
COC(=O)CC(C)(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142872	1	44	-1.0	-52.28	334.11	4.90	-47.38
CN1C=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020142873	0	39	-1.0	-44.42	318.99	5.78	-38.64
CN1C=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020142873	1	39	-1.0	-44.44	318.93	5.75	-38.69
CCN1N=CC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142874	0	40	-1.0	-47.59	328.34	4.45	-43.14
CCN1N=CC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142874	1	40	-1.0	-47.61	328.40	4.48	-43.13
O=C(C1=NC(Cl)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142875	0	32	-1.0	-46.77	288.35	3.87	-42.90
O=C(C1=NC(Cl)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142875	1	32	-1.0	-46.80	288.29	3.85	-42.95
COC(=O)C1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142876	0	42	-1.0	-52.34	349.48	6.09	-46.25
COC(=O)C1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142876	1	42	-1.0	-52.34	349.54	6.12	-46.22
O=C(C1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142877	0	35	-1.0	-55.98	314.89	5.97	-50.01
O=C(C1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142877	1	35	-1.0	-55.97	314.95	6.00	-49.97
O=C(C1=CC=NC(OC2CCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142878	0	43	-1.0	-46.87	345.21	3.67	-43.20
O=C(C1=CC=NC(OC2CCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142878	1	43	-1.0	-46.85	345.15	3.65	-43.20
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CC(C)C	REAL300020142879	0	45	-1.0	-45.69	346.23	4.61	-41.08
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CC(C)C	REAL300020142879	1	45	-1.0	-45.69	346.29	4.64	-41.05
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142880	0	44	-1.0	-45.81	361.73	7.22	-38.59
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142880	1	44	-1.0	-45.83	361.79	7.25	-38.58
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142881	0	59	-1.0	-52.32	439.55	7.09	-45.23
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142881	1	59	-1.0	-52.33	439.61	7.11	-45.22
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142882	0	55	-1.0	-54.18	425.40	9.16	-45.02
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142882	1	55	-1.0	-54.18	425.46	9.19	-44.99
CSC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020142883	0	37	-1.0	-44.68	315.85	5.47	-39.21
CSC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020142883	1	37	-1.0	-44.69	315.90	5.49	-39.20
O=C(C1=CC([N+](=O)[O-])=CC=C1SCCO)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142884	0	43	-1.0	-46.20	369.69	3.59	-42.61
O=C(C1=CC([N+](=O)[O-])=CC=C1SCCO)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142884	1	43	-1.0	-46.23	369.75	3.62	-42.61
O=C(C(O)C1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142885	0	37	-1.0	-44.62	330.26	4.14	-40.48
O=C(C(O)C1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142885	1	37	-1.0	-44.62	330.32	4.16	-40.46
O=C(C1=CC=CC(Br)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142886	0	33	-2.0	-102.25	297.91	3.36	-98.89
O=C(C1=CC=CC(Br)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142886	1	33	-2.0	-102.20	297.96	3.38	-98.82
O=C(C1=CC(OCC2=CC=CC=C2)=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142887	0	48	-1.0	-47.84	392.32	5.13	-42.71
O=C(C1=CC(OCC2=CC=CC=C2)=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142887	1	48	-1.0	-47.82	392.37	5.16	-42.66
O=C(C1=CC(OC2=CC=CC=C2)=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142888	0	45	-1.0	-47.68	369.20	4.63	-43.05
O=C(C1=CC(OC2=CC=CC=C2)=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142888	1	45	-1.0	-47.66	369.25	4.65	-43.01
CC(C)(C)NC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(O)=C1	REAL300020142889	0	52	-1.0	-44.98	407.27	1.46	-43.52
CC(C)(C)NC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(O)=C1	REAL300020142889	1	52	-1.0	-45.01	407.33	1.49	-43.52
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(O)=C1	REAL300020142890	0	51	-1.0	-42.27	402.82	2.11	-40.16
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(O)=C1	REAL300020142890	1	51	-1.0	-42.31	402.88	2.14	-40.17
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C([O-])=C1	REAL300020142890	1	50	-2.0	-108.17	396.50	3.80	-104.37
O=C(C1=CC=C2N=S=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142891	0	34	-1.0	-39.14	294.90	2.75	-36.39
O=C(C1=CC=C2N=S=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142891	1	34	-1.0	-39.13	294.96	2.78	-36.35
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020142892	0	38	-1.0	-53.30	330.30	-0.55	-53.85
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020142892	1	38	-1.0	-53.27	330.36	-0.53	-53.80
CN(C)CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020142893	0	40	-1.0	-43.16	323.90	1.98	-41.18
CN(C)CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020142893	1	40	-1.0	-43.14	323.96	2.00	-41.14
O=C(CSCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142894	0	33	-1.0	-50.62	298.14	4.27	-46.35
O=C(CSCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142894	1	33	-1.0	-50.63	298.19	4.29	-46.34
O=C(C1=CN=C(C2=CC=CN=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142895	0	38	-1.0	-40.20	329.69	3.57	-36.63
O=C(C1=CN=C(C2=CC=CN=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142895	1	38	-1.0	-40.22	329.63	3.55	-36.67
O=C(COC1=CC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142896	0	37	-1.0	-52.91	324.00	6.00	-46.91
O=C(COC1=CC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142896	1	37	-1.0	-52.92	324.06	6.02	-46.90
CC1=CC=C(C(C)C(O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142897	0	46	-1.0	-45.63	351.76	4.71	-40.92
CC1=CC=C(C(C)C(O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142897	1	46	-1.0	-45.59	351.82	4.73	-40.86
O=C(C1=CC=CC(Br)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142898	0	32	-1.0	-42.88	285.92	4.03	-38.85
O=C(C1=CC=CC(Br)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142898	1	32	-1.0	-42.92	285.86	4.01	-38.91
O=C(C1=CC=CN=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142899	0	35	-1.0	-51.32	300.49	3.74	-47.58
O=C(C1=CC=CN=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142899	1	35	-1.0	-51.33	300.43	3.71	-47.62
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142900	0	35	-2.0	-109.23	300.99	4.93	-104.30
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142900	1	35	-2.0	-109.30	301.05	4.96	-104.34
O=C(C1=CC(C2=CC=CC=N2)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142901	0	42	-1.0	-49.79	357.16	6.83	-42.96
O=C(C1=CC(C2=CC=CC=N2)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142901	1	42	-1.0	-49.83	357.10	6.81	-43.02
CCOC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1O	REAL300020142902	0	45	-1.0	-49.31	365.51	4.01	-45.30
CCOC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1O	REAL300020142902	1	45	-1.0	-49.32	365.57	4.04	-45.28
CC(C)CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020142903	0	49	-1.0	-45.22	372.82	5.95	-39.27
CC(C)CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020142903	1	49	-1.0	-45.18	372.88	5.98	-39.20
O=C(C1=CSC(C2=NC=CC=C2F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142904	0	38	-1.0	-48.67	333.66	4.18	-44.49
O=C(C1=CSC(C2=NC=CC=C2F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142904	1	38	-1.0	-48.68	333.71	4.21	-44.47
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)C=C1Br	REAL300020142905	0	39	-1.0	-43.00	327.50	6.24	-36.76
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)C=C1Br	REAL300020142905	1	39	-1.0	-42.96	327.55	6.26	-36.70
COC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020142906	0	41	-1.0	-48.80	339.16	5.31	-43.49
COC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020142906	1	41	-1.0	-48.80	339.22	5.34	-43.46
O=C(C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142907	0	42	-1.0	-56.34	354.59	7.28	-49.06
O=C(C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142907	1	42	-1.0	-56.31	354.53	7.26	-49.05
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=C1F	REAL300020142908	0	39	-1.0	-44.11	315.74	5.71	-38.40
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=C1F	REAL300020142908	1	39	-1.0	-44.08	315.79	5.74	-38.34
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142909	0	57	-1.0	-48.32	430.70	6.91	-41.41
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142909	1	57	-1.0	-48.40	430.76	6.94	-41.46
CC1=C(C)NC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020142910	0	38	-1.0	-60.66	307.98	2.59	-58.07
CC1=C(C)NC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020142910	1	38	-1.0	-60.64	308.04	2.62	-58.02
O=C(CC(O)C1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142911	0	40	-1.0	-50.30	329.21	4.05	-46.25
O=C(CC(O)C1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142911	1	40	-1.0	-50.31	329.27	4.07	-46.24
COC(=O)C1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020142912	0	37	-1.0	-42.62	314.99	2.28	-40.34
COC(=O)C1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020142912	1	37	-1.0	-42.58	314.94	2.26	-40.32
CC1(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC(=O)N1	REAL300020142913	0	43	-1.0	-50.80	333.52	2.41	-48.39
CC1(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC(=O)N1	REAL300020142913	1	43	-1.0	-50.80	333.57	2.44	-48.36
O=C(C1=CC=CN2C(=O)NN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142914	0	36	-1.0	-48.42	299.54	2.65	-45.77
O=C(C1=CC=CN2C(=O)NN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142914	1	36	-1.0	-48.43	299.59	2.67	-45.76
CC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142915	0	36	-1.0	-43.42	304.78	5.57	-37.85
CC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142915	1	36	-1.0	-43.40	304.83	5.59	-37.81
CS(=O)(=O)C1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142916	0	43	-1.0	-57.88	364.30	2.88	-55.00
CS(=O)(=O)C1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142916	1	43	-1.0	-57.89	364.36	2.91	-54.98
O=C(C1=CN=C2SCC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142917	0	38	-1.0	-46.13	325.62	1.57	-44.56
O=C(C1=CN=C2SCC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142917	1	38	-1.0	-46.13	325.56	1.54	-44.59
CCCCCCCCCCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142918	0	62	-1.0	-46.39	450.98	9.84	-36.55
CCCCCCCCCCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142918	1	62	-1.0	-46.41	451.04	9.87	-36.54
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142919	0	53	-1.0	-49.35	412.66	5.85	-43.50
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142919	1	53	-1.0	-49.31	412.72	5.88	-43.43
O=C(C1=NC=CN2C(Br)=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142920	0	35	-1.0	-43.11	316.25	4.28	-38.83
O=C(C1=NC=CN2C(Br)=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142920	1	35	-1.0	-43.08	316.20	4.26	-38.82
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300020142921	0	51	-1.0	-40.92	406.90	7.78	-33.14
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300020142921	1	51	-1.0	-40.94	406.95	7.81	-33.13
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142922	0	46	-1.0	-47.43	366.86	7.30	-40.13
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142922	1	46	-1.0	-47.47	366.92	7.33	-40.14
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CS2)=N1	REAL300020142923	0	40	-1.0	-50.52	341.69	4.97	-45.55
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CS2)=N1	REAL300020142923	1	40	-1.0	-50.49	341.63	4.95	-45.54
CC(C)[C@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142924	0	48	-1.0	-35.55	350.49	6.53	-29.02
CC(C)[C@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142924	1	48	-1.0	-35.52	350.55	6.55	-28.97
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142925	0	40	-1.0	-43.39	339.82	5.89	-37.50
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142925	1	40	-1.0	-43.34	339.88	5.91	-37.43
CC(CC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142926	0	42	-1.0	-36.13	352.76	7.20	-28.93
CC(CC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142926	1	42	-1.0	-36.11	352.82	7.23	-28.88
O=C(C1=CC=CC=C1CCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142927	0	42	-1.0	-46.79	346.84	6.95	-39.84
O=C(C1=CC=CC=C1CCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142927	1	42	-1.0	-46.79	346.90	6.97	-39.82
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142928	0	45	-1.0	-53.79	367.67	3.30	-50.49
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142928	1	45	-1.0	-53.81	367.73	3.33	-50.48
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020142929	0	45	-1.0	-50.09	366.37	3.13	-46.96
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020142929	1	45	-1.0	-50.08	366.43	3.15	-46.93
CC1=C2OC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=CC(Br)=C1	REAL300020142930	0	39	-1.0	-41.76	340.93	6.34	-35.42
CC1=C2OC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=CC(Br)=C1	REAL300020142930	1	39	-1.0	-41.75	340.99	6.36	-35.39
COCCOC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C21	REAL300020142931	0	49	-1.0	-44.38	395.47	5.20	-39.18
COCCOC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC2=CC=CC=C21	REAL300020142931	1	49	-1.0	-44.37	395.41	5.18	-39.19
CCN1C=C(C(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020142932	0	38	-1.0	-46.72	322.98	3.20	-43.52
CCN1C=C(C(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020142932	1	38	-1.0	-46.73	323.03	3.23	-43.50
O=C(CCN1C=CC2=CC(Cl)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142933	0	43	-1.0	-44.97	365.71	7.96	-37.01
O=C(CCN1C=CC2=CC(Cl)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142933	1	43	-1.0	-44.92	365.77	7.99	-36.93
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142934	0	40	-1.0	-44.34	338.83	6.88	-37.46
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142934	1	40	-1.0	-44.30	338.89	6.90	-37.40
O=C(C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142935	0	42	-1.0	-41.23	365.21	6.27	-34.96
O=C(C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142935	1	42	-1.0	-41.24	365.15	6.25	-34.99
O=C(C1=CC2=CC(F)=CC=C2OC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142936	0	39	-1.0	-38.75	326.89	5.13	-33.62
O=C(C1=CC2=CC(F)=CC=C2OC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142936	1	39	-1.0	-38.70	326.95	5.16	-33.54
O=C(C1COC2=CC=C(F)C=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142937	0	41	-1.0	-43.82	331.46	5.22	-38.60
O=C(C1COC2=CC=C(F)C=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142937	1	41	-1.0	-43.80	331.52	5.25	-38.55
CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020142938	0	36	-1.0	-48.38	304.08	5.49	-42.89
CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020142938	1	36	-1.0	-48.37	304.14	5.52	-42.85
CCC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020142939	0	41	-1.0	-39.65	336.33	5.74	-33.91
CCC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020142939	1	41	-1.0	-39.65	336.39	5.77	-33.88
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020142940	0	50	-1.0	-45.32	390.64	5.41	-39.91
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020142940	1	50	-1.0	-45.28	390.70	5.44	-39.84
CC1(C)OCC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CO1	REAL300020142941	0	44	-1.0	-52.70	320.80	3.06	-49.64
CC1(C)OCC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CO1	REAL300020142941	1	44	-1.0	-52.73	320.85	3.09	-49.64
CCC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020142942	0	48	-1.0	-45.30	360.83	7.23	-38.07
CCC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020142942	1	48	-1.0	-45.31	360.89	7.25	-38.06
O=C(C1=CC=C(Cl)C(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142943	0	33	-1.0	-41.83	306.56	5.51	-36.32
O=C(C1=CC=C(Cl)C(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142943	1	33	-1.0	-41.80	306.62	5.53	-36.27
O=C(C1=C2N=CC(Br)=CN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142944	0	35	-1.0	-51.25	314.82	3.97	-47.28
O=C(C1=C2N=CC(Br)=CN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142944	1	35	-1.0	-51.31	314.77	3.95	-47.36
O=C(C1=CSC(C2CCCO2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142945	0	40	-1.0	-41.71	333.52	3.27	-38.44
O=C(C1=CSC(C2CCCO2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142945	1	40	-1.0	-41.69	333.58	3.30	-38.39
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020142946	0	36	-1.0	-50.13	322.12	0.93	-49.20
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020142946	1	36	-1.0	-50.10	322.18	0.96	-49.14
CC1=C(Br)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020142947	0	38	-1.0	-44.54	330.51	6.07	-38.47
CC1=C(Br)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020142947	1	38	-1.0	-44.54	330.57	6.09	-38.45
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142948	0	45	-1.0	-47.24	391.02	8.79	-38.45
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142948	1	45	-1.0	-47.24	391.08	8.82	-38.42
O=C(C1=NC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142949	0	35	-1.0	-48.71	302.63	3.85	-44.86
O=C(C1=NC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142949	1	35	-1.0	-48.70	302.57	3.83	-44.87
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142950	0	43	-1.0	-44.47	350.70	5.73	-38.74
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142950	1	43	-1.0	-44.51	350.76	5.76	-38.75
CC(=O)C1=C(C)NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C(C)C	REAL300020142951	0	48	-1.0	-48.73	373.66	5.47	-43.26
CC(=O)C1=C(C)NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C(C)C	REAL300020142951	1	48	-1.0	-48.76	373.72	5.49	-43.27
CC1=CN(CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NO2)N=C1	REAL300020142952	0	42	-1.0	-49.05	351.83	4.79	-44.26
CC1=CN(CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NO2)N=C1	REAL300020142952	1	42	-1.0	-49.06	351.88	4.82	-44.24
CNS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL300020142953	0	38	-1.0	-49.91	329.35	-1.33	-51.24
CNS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL300020142953	1	38	-1.0	-49.94	329.41	-1.30	-51.24
O=C(C1=CC=C(CC2=NN=CN2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142954	0	42	-1.0	-54.18	347.28	6.30	-47.88
O=C(C1=CC=C(CC2=NN=CN2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142954	1	42	-1.0	-54.14	347.34	6.33	-47.81
O=C(C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142955	0	44	-1.0	-47.16	368.29	6.11	-41.05
O=C(C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142955	1	44	-1.0	-47.18	368.34	6.13	-41.05
CC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=NN2C=C1	REAL300020142956	0	39	-1.0	-50.38	320.42	4.92	-45.46
CC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=NN2C=C1	REAL300020142956	1	39	-1.0	-50.33	320.36	4.89	-45.44
O=C(C1=NN(CCO)C(=O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142957	0	41	-1.0	-44.91	335.34	-0.51	-45.42
O=C(C1=NN(CCO)C(=O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142957	1	41	-1.0	-44.92	335.39	-0.48	-45.40
COC(=O)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020142958	0	45	-1.0	-55.29	340.55	5.24	-50.05
COC(=O)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020142958	1	45	-1.0	-55.32	340.61	5.27	-50.05
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142959	0	46	0.0	-69.32	339.94	3.67	-65.65
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142959	1	46	0.0	-69.32	339.99	3.69	-65.63
CC(CN1CCOCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142959	1	45	-1.0	-46.04	342.14	1.72	-44.32
CC(CN1CCOCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142959	1	45	-1.0	-46.05	342.20	1.75	-44.30
COC(=O)C1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142960	0	38	-1.0	-41.27	319.76	3.33	-37.94
COC(=O)C1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142960	1	38	-1.0	-41.24	319.70	3.30	-37.94
CN(C)S(=O)(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142961	0	40	-1.0	-49.45	333.29	0.52	-48.93
CN(C)S(=O)(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142961	1	40	-1.0	-49.48	333.35	0.54	-48.94
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCC(O)CC1	REAL300020142962	0	47	-1.0	-47.11	364.53	1.43	-45.68
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCC(O)CC1	REAL300020142962	1	47	-1.0	-47.07	364.59	1.45	-45.62
CN1C=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020142963	0	35	-1.0	-56.72	296.65	4.43	-52.29
CN1C=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020142963	1	35	-1.0	-56.76	296.59	4.40	-52.36
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC1=CC=C2NC(=O)NC2=N1	REAL300020142964	0	46	-1.0	-55.30	381.63	2.02	-53.28
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC1=CC=C2NC(=O)NC2=N1	REAL300020142964	1	46	-1.0	-55.31	381.69	2.05	-53.26
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142965	0	45	-1.0	-51.98	366.61	8.37	-43.61
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142965	1	45	-1.0	-51.96	366.56	8.35	-43.61
NS(=O)(=O)C1=CC=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CC=C12	REAL300020142966	0	43	-1.0	-49.35	363.60	-0.06	-49.41
NS(=O)(=O)C1=CC=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CC=C12	REAL300020142966	1	43	-1.0	-49.38	363.54	-0.08	-49.46
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CN=C1	REAL300020142967	0	41	-1.0	-48.95	306.15	4.29	-44.66
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CN=C1	REAL300020142967	1	41	-1.0	-48.94	306.09	4.27	-44.67
O=C(C1=CC(I)=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142968	0	34	-1.0	-46.02	308.82	2.97	-43.05
O=C(C1=CC(I)=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142968	1	34	-1.0	-46.04	308.88	3.00	-43.04
O=C(C1=CC(I)=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142968	1	33	-2.0	-95.23	306.34	3.83	-91.40
O=C(C1=CC(I)=CC=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142968	1	33	-2.0	-95.25	306.40	3.86	-91.39
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142969	0	35	-2.0	-90.73	303.15	4.17	-86.56
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142969	1	35	-2.0	-90.70	303.21	4.19	-86.51
O=C(C1=CC=C(Br)C=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142970	0	34	-1.0	-37.64	302.32	2.46	-35.18
O=C(C1=CC=C(Br)C=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142970	1	34	-1.0	-37.66	302.38	2.48	-35.18
O=C(C1=CC=C(Br)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142970	1	33	-2.0	-95.27	298.44	3.77	-91.50
O=C(C1=CC=C(Br)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142970	1	33	-2.0	-95.28	298.49	3.79	-91.49
O=C(C1=CC2=C(C=C1O)OCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142971	0	37	-1.0	-45.52	308.12	0.60	-44.92
O=C(C1=CC2=C(C=C1O)OCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142971	1	37	-1.0	-45.49	308.17	0.62	-44.87
CCC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1O	REAL300020142972	0	40	-1.0	-47.29	323.77	3.43	-43.86
CCC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1O	REAL300020142972	1	40	-1.0	-47.26	323.82	3.45	-43.81
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142973	0	39	-2.0	-101.73	337.77	5.61	-96.12
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142973	1	39	-2.0	-101.75	337.83	5.63	-96.12
O=C(C1=C(O)C2=CC=CC=C2C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142973	1	40	-1.0	-46.87	341.31	4.78	-42.09
O=C(C1=C(O)C2=CC=CC=C2C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142973	1	40	-1.0	-46.89	341.37	4.80	-42.09
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(O)=C1O	REAL300020142974	0	38	-1.0	-51.56	311.86	0.52	-51.04
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(O)=C1O	REAL300020142974	1	38	-1.0	-51.60	311.91	0.55	-51.05
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(O)=C1C	REAL300020142975	0	40	-1.0	-49.23	318.11	3.11	-46.12
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(O)=C1C	REAL300020142975	1	40	-1.0	-49.16	318.17	3.14	-46.02
CC(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(O)=C1	REAL300020142976	0	43	-1.0	-39.31	341.14	3.77	-35.54
CC(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(O)=C1	REAL300020142976	1	43	-1.0	-39.29	341.20	3.79	-35.50
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=N1	REAL300020142977	0	35	-1.0	-48.62	305.93	3.75	-44.87
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=N1	REAL300020142977	1	35	-1.0	-48.64	305.99	3.78	-44.86
CCCCS(=O)(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142978	0	43	-1.0	-54.92	355.64	0.37	-54.55
CCCCS(=O)(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142978	1	43	-1.0	-54.95	355.70	0.40	-54.55
O=C(C1=CC=C(N2C=CN=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142979	0	39	-1.0	-52.92	322.18	4.25	-48.67
O=C(C1=CC=C(N2C=CN=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142979	1	39	-1.0	-52.94	322.12	4.23	-48.71
C=CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020142980	0	43	-1.0	-45.66	343.99	7.28	-38.38
C=CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020142980	1	43	-1.0	-45.68	344.05	7.31	-38.37
COC(=O)C1=CC=CC=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142981	0	45	-1.0	-50.84	362.25	6.66	-44.18
COC(=O)C1=CC=CC=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142981	1	45	-1.0	-50.82	362.31	6.69	-44.13
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142982	0	55	-1.0	-43.62	402.35	4.61	-39.01
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142982	1	55	-1.0	-43.62	402.41	4.63	-38.99
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020142983	0	36	-1.0	-37.99	310.79	5.67	-32.32
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020142983	1	36	-1.0	-37.97	310.84	5.70	-32.27
CC1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1F	REAL300020142984	0	36	-1.0	-50.44	307.10	5.33	-45.11
CC1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1F	REAL300020142984	1	36	-1.0	-50.40	307.15	5.35	-45.05
CC1=C(C(=O)NC2=CC=C(O)C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=NO1	REAL300020142985	0	47	-1.0	-56.01	389.75	2.21	-53.80
CC1=C(C(=O)NC2=CC=C(O)C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=NO1	REAL300020142985	1	47	-1.0	-56.06	389.81	2.24	-53.82
O=C(C1=C(O)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142986	0	34	-1.0	-50.39	300.78	2.23	-48.16
O=C(C1=C(O)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142986	1	34	-1.0	-50.38	300.84	2.25	-48.13
O=C(C1=C([O-])C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142986	1	33	-2.0	-97.62	297.25	3.00	-94.62
O=C(C1=C([O-])C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142986	1	33	-2.0	-97.62	297.30	3.02	-94.60
CCC1=CC=C(O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142987	0	40	-1.0	-48.67	323.93	3.30	-45.37
CCC1=CC=C(O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142987	1	40	-1.0	-48.66	323.99	3.33	-45.33
CC(C)C1=CC=C(O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142988	0	43	-1.0	-48.09	341.18	3.78	-44.31
CC(C)C1=CC=C(O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142988	1	43	-1.0	-48.13	341.24	3.80	-44.33
O=C(C1=CC(CCC2=CC=CC=C2)=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142989	0	50	-1.0	-49.65	405.33	7.11	-42.54
O=C(C1=CC(CCC2=CC=CC=C2)=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142989	1	50	-1.0	-49.60	405.39	7.13	-42.47
O=C(C1=CC(CC2=CC=CC=C2)=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142990	0	47	-1.0	-49.10	383.88	6.31	-42.79
O=C(C1=CC(CC2=CC=CC=C2)=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142990	1	47	-1.0	-49.09	383.94	6.34	-42.75
O=C(C(C1=CC=CC=C1)N1CCC(O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142991	0	52	-1.0	-48.35	394.40	3.00	-45.35
O=C(C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142991	1	53	0.0	-62.32	394.28	4.94	-57.38
O=C(C(C1=CC=CC=C1)N1CCC(O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142991	1	52	-1.0	-48.40	394.45	3.02	-45.38
COC1=CC(C)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1O	REAL300020142992	0	41	-1.0	-48.97	332.69	2.60	-46.37
COC1=CC(C)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1O	REAL300020142992	1	41	-1.0	-48.94	332.75	2.63	-46.31
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(C)(C)C)=N1	REAL300020142993	0	45	-1.0	-47.39	346.86	4.50	-42.89
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(C)(C)C)=N1	REAL300020142993	1	45	-1.0	-47.42	346.80	4.48	-42.94
O=C(C1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142994	0	40	-1.0	-45.94	345.09	6.70	-39.24
O=C(C1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142994	1	40	-1.0	-45.98	345.04	6.68	-39.30
N#CC1=CC=C(NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020142995	0	38	-1.0	-51.25	323.11	3.20	-48.05
N#CC1=CC=C(NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020142995	1	38	-1.0	-51.22	323.05	3.17	-48.05
O=C(C1=CC=CC=C1NCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142996	0	48	-1.0	-46.25	385.15	7.28	-38.97
O=C(C1=CC=CC=C1NCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142996	1	48	-1.0	-46.20	385.21	7.31	-38.89
O=C(C1=CC=CC(C2OCCO2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142997	0	42	-1.0	-40.21	337.91	4.07	-36.14
O=C(C1=CC=CC(C2OCCO2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142997	1	42	-1.0	-40.23	337.97	4.09	-36.14
C[N@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCSC1	REAL300020142998	0	43	0.0	-69.74	329.68	5.42	-64.32
C[N@@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCSC1	REAL300020142998	1	43	0.0	-70.88	329.63	5.38	-65.50
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCSC1	REAL300020142998	1	42	-1.0	-46.75	329.84	3.17	-43.58
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCSC1	REAL300020142998	1	42	-1.0	-46.78	329.90	3.19	-43.59
CCOC(=O)C1=C2N=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2N=C1	REAL300020142999	0	44	-1.0	-53.63	375.12	5.02	-48.61
CCOC(=O)C1=C2N=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2N=C1	REAL300020142999	1	44	-1.0	-53.62	375.07	4.99	-48.63
NC(=O)C1=C2N=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2N=C1	REAL300020143000	0	39	-1.0	-56.20	333.45	0.15	-56.05
NC(=O)C1=C2N=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2N=C1	REAL300020143000	1	39	-1.0	-56.19	333.39	0.13	-56.06
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL300020143001	0	35	-1.0	-51.23	308.15	-2.49	-53.72
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL300020143001	1	35	-1.0	-51.27	308.21	-2.47	-53.74
O=C(C1=NN(C2=CC=CC=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143002	0	39	-1.0	-46.11	323.63	7.02	-39.09
O=C(C1=NN(C2=CC=CC=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143002	1	39	-1.0	-46.09	323.57	6.99	-39.10
CC(C)CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C(F)F	REAL300020143003	0	45	-1.0	-43.10	363.33	5.24	-37.86
CC(C)CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C(F)F	REAL300020143003	1	45	-1.0	-43.10	363.38	5.27	-37.83
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143004	0	51	-1.0	-48.44	402.22	9.37	-39.07
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143004	1	51	-1.0	-48.45	402.27	9.40	-39.05
CC1=CN2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C2C=C1	REAL300020143005	0	39	-1.0	-49.02	314.31	5.34	-43.68
CC1=CN2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C2C=C1	REAL300020143005	1	39	-1.0	-49.04	314.25	5.31	-43.73
COC(=O)C1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143006	0	42	-1.0	-51.05	342.12	5.80	-45.25
COC(=O)C1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143006	1	42	-1.0	-51.02	342.17	5.83	-45.19
CN(C)C1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143007	0	39	-1.0	-40.83	313.77	3.22	-37.61
CN(C)C1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143007	1	39	-1.0	-40.84	313.71	3.20	-37.64
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)F)=N1	REAL300020143008	0	36	-1.0	-53.81	306.89	3.07	-50.74
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)F)=N1	REAL300020143008	1	36	-1.0	-53.79	306.95	3.10	-50.69
O=C(C1=CC=NC(Cl)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143009	0	32	-1.0	-48.67	288.20	3.21	-45.46
O=C(C1=CC=NC(Cl)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143009	1	32	-1.0	-48.64	288.14	3.18	-45.46
CC(OC1=CC=CC(CO)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143010	0	44	-1.0	-51.87	349.93	3.01	-48.86
CC(OC1=CC=CC(CO)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143010	1	44	-1.0	-51.87	349.99	3.03	-48.84
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143011	0	38	-1.0	-49.93	348.08	-0.01	-49.94
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143011	1	38	-1.0	-49.85	348.14	0.02	-49.83
CC1=CC=C(CC2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020143012	0	45	-1.0	-44.43	379.21	7.44	-36.99
CC1=CC=C(CC2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020143012	1	45	-1.0	-44.41	379.27	7.46	-36.95
CC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143013	0	39	-1.0	-43.59	312.86	5.95	-37.64
CC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143013	1	39	-1.0	-43.56	312.92	5.97	-37.59
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020143014	0	39	-1.0	-35.46	330.20	6.46	-29.00
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020143014	1	39	-1.0	-35.45	330.26	6.48	-28.97
CC(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020143015	0	49	-1.0	-46.19	384.40	7.68	-38.51
CC(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020143015	1	49	-1.0	-46.20	384.46	7.71	-38.49
CSCC1=NOC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020143016	0	41	-1.0	-46.74	352.35	2.89	-43.85
CSCC1=NOC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020143016	1	41	-1.0	-46.74	352.41	2.92	-43.82
O=C(C1=CC2=CC=C(Br)C=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143017	0	39	-1.0	-37.79	337.93	7.31	-30.48
O=C(C1=CC2=CC=C(Br)C=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143017	1	39	-1.0	-37.79	337.98	7.33	-30.46
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020143018	0	48	-1.0	-46.41	332.70	5.98	-40.43
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020143018	1	48	-1.0	-46.39	332.76	6.00	-40.39
O=C(CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1)NC1CCCC1	REAL300020143019	0	50	-1.0	-60.47	396.67	3.78	-56.69
O=C(CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1)NC1CCCC1	REAL300020143019	1	50	-1.0	-60.49	396.62	3.75	-56.74
O=C(C1OCCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143020	0	41	-1.0	-48.86	315.53	5.45	-43.41
O=C(C1OCCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143020	1	41	-1.0	-48.88	315.58	5.47	-43.41
O=C(C1=CC(C2=CC=C3OCCC3=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143021	0	44	-1.0	-42.81	361.88	5.49	-37.32
O=C(C1=CC(C2=CC=C3OCCC3=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143021	1	44	-1.0	-42.84	361.82	5.47	-37.37
CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143022	0	55	-1.0	-43.14	414.09	4.24	-38.90
CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143022	1	55	-1.0	-43.19	414.15	4.27	-38.92
CNC(=O)COC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143023	0	47	-1.0	-59.18	384.69	4.29	-54.89
CNC(=O)COC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143023	1	47	-1.0	-59.18	384.74	4.31	-54.87
CS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143024	0	39	-1.0	-57.38	334.88	1.99	-55.39
CS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143024	1	39	-1.0	-57.35	334.94	2.02	-55.33
CC1(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(=O)NC1=O	REAL300020143025	0	44	-1.0	-50.70	352.41	0.02	-50.68
CC1(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(=O)NC1=O	REAL300020143025	1	44	-1.0	-50.70	352.46	0.05	-50.65
CC(C)OC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020143026	0	42	-1.0	-44.51	336.14	4.02	-40.49
CC(C)OC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020143026	1	42	-1.0	-44.50	336.08	3.99	-40.51
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C1=CC=CC=N1	REAL300020143027	0	46	-1.0	-49.25	369.28	6.15	-43.10
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C1=CC=CC=N1	REAL300020143027	1	46	-1.0	-49.23	369.23	6.13	-43.10
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC=C1C1=CC=CC=N1	REAL300020143028	0	45	-1.0	-52.14	355.07	7.49	-44.65
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC=C1C1=CC=CC=N1	REAL300020143028	1	45	-1.0	-52.12	355.13	7.52	-44.60
COC1=CC=C2NC(C)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020143029	0	44	-1.0	-53.21	357.44	4.53	-48.68
COC1=CC=C2NC(C)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020143029	1	44	-1.0	-53.22	357.50	4.55	-48.67
CC1=NN(C)C(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020143030	0	41	-1.0	-55.55	331.43	2.84	-52.71
CC1=NN(C)C(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020143030	1	41	-1.0	-55.50	331.49	2.86	-52.64
CC(C)(C)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143031	0	45	-1.0	-44.45	330.21	7.09	-37.36
CC(C)(C)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143031	1	45	-1.0	-44.45	330.27	7.12	-37.33
O=C(C1=CC2=CC=CC=C2C(Cl)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143032	0	38	-1.0	-44.62	325.72	6.09	-38.53
O=C(C1=CC2=CC=CC=C2C(Cl)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143032	1	38	-1.0	-44.64	325.66	6.06	-38.58
CCCOC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OCCC	REAL300020143033	0	56	-1.0	-50.92	440.16	8.09	-42.83
CCCOC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OCCC	REAL300020143033	1	56	-1.0	-50.94	440.21	8.11	-42.83
CC(C)(C)OC(=O)N1CCSCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143034	0	54	-1.0	-47.86	407.71	6.37	-41.49
CC(C)(C)OC(=O)N1CCSCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143034	1	54	-1.0	-47.91	407.77	6.39	-41.52
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1NC(=O)OC(C)(C)C	REAL300020143035	0	53	-1.0	-46.80	406.99	5.50	-41.30
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1NC(=O)OC(C)(C)C	REAL300020143035	1	53	-1.0	-46.76	407.05	5.52	-41.24
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020143036	0	53	-1.0	-52.39	391.39	5.06	-47.33
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020143036	1	53	-1.0	-52.42	391.45	5.08	-47.34
O=C(CC1=CC(Br)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143037	0	36	-1.0	-47.53	321.42	6.10	-41.43
O=C(CC1=CC(Br)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143037	1	36	-1.0	-47.52	321.48	6.13	-41.39
O=C(CC1=CC(Cl)=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143038	0	36	-1.0	-45.90	329.17	6.44	-39.46
O=C(CC1=CC(Cl)=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143038	1	36	-1.0	-45.93	329.22	6.47	-39.46
O=C(CC1=CC=CC=C1I)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143039	0	36	-1.0	-46.41	317.89	6.34	-40.07
O=C(CC1=CC=CC=C1I)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143039	1	36	-1.0	-46.36	317.94	6.36	-40.00
O=C(CC1=CC(F)=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143040	0	36	-1.0	-46.19	318.83	6.00	-40.19
O=C(CC1=CC(F)=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143040	1	36	-1.0	-46.20	318.88	6.02	-40.18
CC(C)C1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020143041	0	41	-1.0	-42.70	348.39	3.66	-39.04
CC(C)C1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020143041	1	41	-1.0	-42.72	348.44	3.69	-39.03
CC(C)C1=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1	REAL300020143041	1	41	-1.0	-42.37	343.87	4.22	-38.15
CC(C)C1=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1	REAL300020143041	1	41	-1.0	-42.34	343.93	4.24	-38.10
O=C(CSC1=CC=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143042	0	37	-1.0	-48.67	334.48	6.57	-42.10
O=C(CSC1=CC=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143042	1	37	-1.0	-48.68	334.54	6.59	-42.09
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020143043	0	56	-1.0	-53.94	410.05	5.26	-48.68
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020143043	1	56	-1.0	-54.01	410.10	5.29	-48.72
O=C(C1CCCC2=C1C=CS2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143044	0	40	-1.0	-47.32	322.46	6.03	-41.29
O=C(C1CCCC2=C1C=CS2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143044	1	40	-1.0	-47.35	322.52	6.05	-41.30
O=C(C1CCN2C=NC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143045	0	40	-1.0	-40.66	313.52	5.46	-35.20
O=C(C1CCN2C=NC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143045	1	40	-1.0	-40.70	313.58	5.49	-35.21
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143046	0	55	-1.0	-38.55	400.99	3.56	-34.99
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143046	1	55	-1.0	-38.55	401.05	3.59	-34.96
CN(C)C(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020143047	0	45	-1.0	-45.03	370.21	4.61	-40.42
CN(C)C(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020143047	1	45	-1.0	-45.07	370.27	4.63	-40.44
CC(C)C1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020143048	0	38	-1.0	-44.55	318.33	3.60	-40.95
CC(C)C1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020143048	1	38	-1.0	-44.56	318.39	3.63	-40.93
COCCOC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143049	0	47	-1.0	-52.60	379.65	4.93	-47.67
COCCOC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143049	1	47	-1.0	-52.63	379.71	4.96	-47.67
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020143050	0	53	-1.0	-45.11	414.03	5.33	-39.78
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020143050	1	53	-1.0	-45.10	414.09	5.36	-39.74
CC1=CC=C(C(O)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)(F)F)O1	REAL300020143051	0	43	-1.0	-44.05	359.72	4.00	-40.05
CC1=CC=C(C(O)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)(F)F)O1	REAL300020143051	1	43	-1.0	-44.06	359.78	4.03	-40.03
CCCCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020143052	0	45	-1.0	-45.62	357.08	5.12	-40.50
CCCCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020143052	1	45	-1.0	-45.64	357.14	5.15	-40.49
O=C(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143053	0	36	-1.0	-45.14	322.31	5.86	-39.28
O=C(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143053	1	36	-1.0	-45.12	322.36	5.88	-39.24
CC(C)(C)C1=CC=C(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143054	0	54	-1.0	-45.80	388.45	8.22	-37.58
CC(C)(C)C1=CC=C(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143054	1	54	-1.0	-45.84	388.51	8.25	-37.59
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020143055	0	41	-1.0	-51.76	334.15	6.44	-45.32
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020143055	1	41	-1.0	-51.74	334.21	6.46	-45.28
CC1=NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020143056	0	41	-1.0	-40.08	332.77	5.40	-34.68
CC1=NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020143056	1	41	-1.0	-40.10	332.83	5.43	-34.67
CC(C)COC1=CC=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143057	0	50	-1.0	-53.08	396.53	7.07	-46.01
CC(C)COC1=CC=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143057	1	50	-1.0	-53.10	396.59	7.09	-46.01
O=C(CCCNC(=O)C1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143058	0	45	-1.0	-51.21	367.68	2.95	-48.26
O=C(CCCNC(=O)C1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143058	1	45	-1.0	-51.26	367.62	2.92	-48.34
O=C(C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143059	0	38	-1.0	-41.84	336.82	6.09	-35.75
O=C(C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143059	1	38	-1.0	-41.81	336.88	6.11	-35.70
O=C(C1=CC(Cl)=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143060	0	33	-1.0	-42.06	307.94	5.54	-36.52
O=C(C1=CC(Cl)=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143060	1	33	-1.0	-42.04	308.00	5.56	-36.48
O=C(C1=CC(F)=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143061	0	33	-1.0	-43.90	290.44	4.65	-39.25
O=C(C1=CC(F)=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143061	1	33	-1.0	-43.90	290.49	4.68	-39.22
O=C(C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143062	0	45	-1.0	-45.68	378.29	7.90	-37.78
O=C(C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143062	1	45	-1.0	-45.68	378.23	7.88	-37.80
CC1=C(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020143063	0	42	-1.0	-48.59	346.34	6.67	-41.92
CC1=C(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020143063	1	42	-1.0	-48.57	346.40	6.70	-41.87
CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143064	0	50	-1.0	-47.79	391.71	5.00	-42.79
CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143064	1	50	-1.0	-47.76	391.77	5.03	-42.73
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143065	0	53	-1.0	-56.82	390.13	5.68	-51.14
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143065	1	53	-1.0	-56.80	390.18	5.71	-51.09
O=C(C1CCC[N@@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143066	0	49	0.0	-61.03	352.29	6.44	-54.59
O=C(C1CCC[N@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143066	1	49	0.0	-62.59	354.56	6.54	-56.05
C=CC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020143067	0	44	-1.0	-54.63	342.24	4.21	-50.42
C=CC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020143067	1	44	-1.0	-54.65	342.29	4.23	-50.42
CC1(C)CCC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(=O)N2)C1	REAL300020143068	0	49	-1.0	-57.37	377.31	4.82	-52.55
CC1(C)CCC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(=O)N2)C1	REAL300020143068	1	49	-1.0	-57.39	377.37	4.85	-52.54
O=C(CC1=CC=CC(OC(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143069	0	40	-1.0	-48.19	340.67	5.23	-42.96
O=C(CC1=CC=CC(OC(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143069	1	40	-1.0	-48.20	340.72	5.25	-42.95
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(OCC2=CC=CC=C2)CCOCC1	REAL300020143070	0	51	-1.0	-44.35	384.01	5.52	-38.83
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(OCC2=CC=CC=C2)CCOCC1	REAL300020143070	1	51	-1.0	-44.41	384.06	5.54	-38.87
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCCS1(=O)=O	REAL300020143071	0	47	-1.0	-51.04	363.03	2.07	-48.97
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCCS1(=O)=O	REAL300020143071	1	47	-1.0	-51.08	363.09	2.09	-48.99
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020143072	0	47	-1.0	-45.41	371.79	4.71	-40.70
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020143072	1	47	-1.0	-45.44	371.85	4.74	-40.70
CC1=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=CC=C1	REAL300020143073	0	40	-1.0	-44.98	322.06	5.53	-39.45
CC1=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=CC=C1	REAL300020143073	1	40	-1.0	-45.04	322.12	5.56	-39.48
CC(CSCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143074	0	46	-1.0	-44.63	377.22	8.00	-36.63
CC(CSCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143074	1	46	-1.0	-44.64	377.28	8.03	-36.61
CCC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143075	0	43	-1.0	-55.41	334.68	3.64	-51.77
CCC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143075	1	43	-1.0	-55.40	334.74	3.66	-51.74
O=C(CN1C=CC(=O)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143076	0	38	-1.0	-70.05	326.84	5.93	-64.12
O=C(CN1C=CC(=O)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143076	1	38	-1.0	-70.05	326.90	5.96	-64.09
CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143077	0	47	-1.0	-45.46	387.30	9.02	-36.44
CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143077	1	47	-1.0	-45.50	387.36	9.05	-36.45
N#CC1=CC=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300020143078	0	41	-1.0	-54.93	339.68	6.66	-48.27
N#CC1=CC=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020143078	1	41	-1.0	-54.94	339.74	6.69	-48.25
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020143079	0	55	-1.0	-42.67	399.56	4.26	-38.41
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020143079	1	55	-1.0	-42.68	399.62	4.29	-38.39
CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143080	0	50	-1.0	-53.34	386.84	0.60	-52.74
CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143080	1	50	-1.0	-53.39	386.89	0.63	-52.76
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=NC2=CC=CC=C21	REAL300020143081	0	42	-1.0	-51.38	337.68	6.27	-45.11
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=NC2=CC=CC=C21	REAL300020143081	1	42	-1.0	-51.37	337.74	6.30	-45.07
CC1=NC(Cl)=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143082	0	38	-1.0	-50.01	323.35	4.52	-45.49
CC1=NC(Cl)=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143082	1	38	-1.0	-50.02	323.41	4.55	-45.47
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC(C)=CC=C1C	REAL300020143083	0	49	-1.0	-46.10	390.39	7.68	-38.42
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC(C)=CC=C1C	REAL300020143083	1	49	-1.0	-46.11	390.44	7.70	-38.41
CC(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143084	0	41	-1.0	-46.23	324.83	4.49	-41.74
CC(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143084	1	41	-1.0	-46.20	324.89	4.51	-41.69
CC1=C(C2CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020143085	0	40	-1.0	-47.95	324.47	6.47	-41.48
CC1=C(C2CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020143085	1	40	-1.0	-47.94	324.52	6.49	-41.45
O=C(CSCC1=CSC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143086	0	36	-1.0	-51.54	323.74	3.82	-47.72
O=C(CSCC1=CSC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143086	1	36	-1.0	-51.50	323.79	3.85	-47.65
CC1=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL300020143087	0	45	-1.0	-45.74	358.88	7.57	-38.17
CC1=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020143087	1	45	-1.0	-45.69	358.94	7.59	-38.10
O=C(CC1=CC=C(C(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143088	0	39	-1.0	-49.61	326.85	6.31	-43.30
O=C(CC1=CC=C(C(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143088	1	39	-1.0	-49.58	326.90	6.33	-43.25
CC1(C)CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020143089	0	48	-1.0	-46.43	348.52	6.63	-39.80
CC1(C)CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020143089	1	48	-1.0	-46.43	348.57	6.65	-39.78
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143090	0	49	-1.0	-51.21	398.70	7.02	-44.19
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143090	1	49	-1.0	-51.23	398.76	7.05	-44.18
O=C(C1=NN(C2=CC=C(Cl)C=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143091	0	39	-1.0	-42.15	342.91	5.20	-36.95
O=C(C1=NN(C2=CC=C(Cl)C=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143091	1	39	-1.0	-42.13	342.85	5.17	-36.96
COC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C2C=C1	REAL300020143092	0	49	-1.0	-50.06	388.03	6.11	-43.95
COC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C2C=C1	REAL300020143092	1	49	-1.0	-50.04	388.09	6.13	-43.91
O=C(CC1=CSC2=NC=CN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143093	0	36	-1.0	-53.47	311.68	5.08	-48.39
O=C(CC1=CSC2=NC=CN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143093	1	36	-1.0	-53.47	311.63	5.05	-48.42
CC(C)(C)OC(=O)N1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143094	0	51	-1.0	-44.87	387.87	4.26	-40.61
CC(C)(C)OC(=O)N1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143094	1	51	-1.0	-44.86	387.93	4.29	-40.57
CN1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020143095	0	40	-1.0	-49.86	328.28	3.30	-46.56
CN1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020143095	1	40	-1.0	-49.87	328.34	3.33	-46.54
CC1=NN=C2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CN12	REAL300020143096	0	42	-1.0	-41.69	328.66	5.19	-36.50
CC1=NN=C2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CN12	REAL300020143096	1	42	-1.0	-41.70	328.71	5.21	-36.49
CC(C)CC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143097	0	49	-1.0	-38.13	384.62	8.62	-29.51
CC(C)CC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143097	1	49	-1.0	-38.16	384.67	8.64	-29.52
CCSC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143098	0	43	-1.0	-48.57	356.35	7.30	-41.27
CCSC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143098	1	43	-1.0	-48.56	356.41	7.33	-41.23
O=C(CC1=CC=C(Br)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143099	0	36	-1.0	-48.47	321.68	6.10	-42.37
O=C(CC1=CC=C(Br)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143099	1	36	-1.0	-48.43	321.74	6.13	-42.30
CC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143100	0	36	-1.0	-43.28	305.64	5.54	-37.74
CC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143100	1	36	-1.0	-43.30	305.70	5.57	-37.73
CC1=NN=C(C2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020143101	0	41	-1.0	-61.76	338.67	1.76	-60.00
CC1=NN=C(C2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020143101	1	41	-1.0	-61.73	338.72	1.79	-59.94
CC(C)(C)OC(=O)N1CCOC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143102	0	54	-1.0	-52.10	411.79	4.96	-47.14
CC(C)(C)OC(=O)N1CCOC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143102	1	54	-1.0	-52.10	411.84	4.98	-47.12
O=C(C1=CC=C(C2=CC=CO2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143103	0	37	-1.0	-45.55	322.92	5.36	-40.19
O=C(C1=CC=C(C2=CC=CO2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143103	1	37	-1.0	-45.53	322.98	5.39	-40.14
O=C(CCCOC1=CC=C2OCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143104	0	46	-1.0	-53.80	372.10	4.48	-49.32
O=C(CCCOC1=CC=C2OCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143104	1	46	-1.0	-53.76	372.16	4.50	-49.26
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143105	0	58	-1.0	-49.90	442.28	8.91	-40.99
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143105	1	58	-1.0	-49.95	442.33	8.93	-41.02
O=C(CCCOC1=CC=C2CCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143106	0	50	-1.0	-51.20	391.60	7.76	-43.44
O=C(CCCOC1=CC=C2CCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143106	1	50	-1.0	-51.20	391.66	7.78	-43.42
CC(C)(C)C1CCC(=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020143107	0	52	-1.0	-45.47	372.97	7.52	-37.95
CC(C)(C)C1CCC(=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020143107	1	52	-1.0	-45.45	373.02	7.55	-37.90
COC1=CC=CC(C2=NNC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020143108	0	44	-1.0	-42.25	357.96	4.14	-38.11
COC1=CC=CC(C2=NNC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020143108	1	44	-1.0	-42.21	358.01	4.17	-38.04
CC(C)CC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143109	0	51	-1.0	-45.29	397.24	8.94	-36.35
CC(C)CC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143109	1	51	-1.0	-45.30	397.30	8.97	-36.33
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300020143110	0	44	-1.0	-42.93	374.96	7.59	-35.34
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300020143110	1	44	-1.0	-42.91	374.90	7.56	-35.35
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1F	REAL300020143111	0	42	-1.0	-48.22	340.94	6.77	-41.45
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1F	REAL300020143111	1	42	-1.0	-48.24	341.00	6.79	-41.45
O=C(CSCC1=CSC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143112	0	36	-1.0	-51.54	323.74	3.82	-47.72
O=C(CSCC1=CSC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143112	1	36	-1.0	-51.50	323.79	3.85	-47.65
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020143113	0	52	-1.0	-47.37	384.52	9.48	-37.89
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020143113	1	52	-1.0	-47.38	384.58	9.51	-37.87
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC(Cl)=CC=C2N1	REAL300020143114	0	40	-1.0	-49.84	344.70	5.76	-44.08
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC(Cl)=CC=C2N1	REAL300020143114	1	40	-1.0	-49.87	344.76	5.78	-44.09
CS(=O)(=O)NC1=CC=C(O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143115	0	42	-1.0	-58.37	358.28	-1.54	-59.91
CS(=O)(=O)NC1=CC=C(O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143115	1	42	-1.0	-58.39	358.34	-1.51	-59.90
O=C(C1=CC2=C(C=C1O)CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143116	0	44	-1.0	-48.35	343.80	4.29	-44.06
O=C(C1=CC2=C(C=C1O)CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143116	1	44	-1.0	-48.34	343.85	4.31	-44.03
CCOC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020143117	0	42	-1.0	-42.84	331.51	4.92	-37.92
CCOC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020143117	1	42	-1.0	-42.85	331.57	4.95	-37.90
O=C(C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC1=CC2=CNN=C2C=C1	REAL300020143118	0	44	-1.0	-52.44	367.19	3.03	-49.41
O=C(C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC1=CC2=CNN=C2C=C1	REAL300020143118	1	44	-1.0	-52.42	367.25	3.05	-49.37
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1(O)CCC1	REAL300020143119	0	37	-1.0	-38.45	297.47	1.24	-37.21
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1(O)CCC1	REAL300020143119	1	37	-1.0	-38.41	297.52	1.27	-37.14
O=C(C1=CC(Cl)=NC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143120	0	35	-1.0	-41.59	322.30	4.22	-37.37
O=C(C1=CC(Cl)=NC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143120	1	35	-1.0	-41.59	322.25	4.20	-37.39
CC(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020143121	0	45	-1.0	-48.27	351.84	7.37	-40.90
CC(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020143121	1	45	-1.0	-48.26	351.90	7.40	-40.86
O=C(C1=CC=C(CCC(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143122	0	42	-1.0	-47.38	353.02	7.05	-40.33
O=C(C1=CC=C(CCC(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143122	1	42	-1.0	-47.39	353.07	7.07	-40.32
CC(C)(C)OC(=O)N(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020143123	0	50	-1.0	-51.66	387.15	5.80	-45.86
CC(C)(C)OC(=O)N(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020143123	1	50	-1.0	-51.66	387.20	5.82	-45.84
CCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(OC)C=C1	REAL300020143124	0	49	-1.0	-46.49	378.72	6.65	-39.84
CCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(OC)C=C1	REAL300020143124	1	49	-1.0	-46.48	378.78	6.67	-39.81
O=C(C1=CC=CC2=C1OC(=O)N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143125	0	36	-1.0	-59.77	302.89	1.97	-57.80
O=C(C1=CC=CC2=C1OC(=O)N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143125	1	36	-1.0	-59.72	302.95	2.00	-57.72
CC(C)(C)C1CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020143126	0	54	-1.0	-46.23	383.31	7.71	-38.52
CC(C)(C)C1CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020143126	1	54	-1.0	-46.24	383.36	7.73	-38.51
CC1=CC=C(F)C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143127	0	40	-1.0	-54.72	331.22	6.08	-48.64
CC1=CC=C(F)C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143127	1	40	-1.0	-54.72	331.28	6.10	-48.62
CC1=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=C1Cl	REAL300020143128	0	43	-1.0	-49.66	357.78	7.03	-42.63
CC1=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=C1Cl	REAL300020143128	1	43	-1.0	-49.66	357.84	7.06	-42.60
O=C(COC1=CC=C2CCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143129	0	47	-1.0	-50.73	366.31	7.84	-42.89
O=C(COC1=CC=C2CCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143129	1	47	-1.0	-50.71	366.37	7.86	-42.85
O=C(CCCOC1=CC=C2CCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143130	0	53	-1.0	-50.80	408.77	8.32	-42.48
O=C(CCCOC1=CC=C2CCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143130	1	53	-1.0	-50.79	408.82	8.35	-42.44
CN(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020143131	0	41	-1.0	-40.64	327.98	4.90	-35.74
CN(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020143131	1	41	-1.0	-40.63	328.04	4.93	-35.70
CCOC(=O)NCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143132	0	43	-1.0	-49.34	349.68	1.92	-47.42
CCOC(=O)NCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143132	1	43	-1.0	-49.38	349.74	1.94	-47.44
CC1(C)CCCCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143133	0	48	-1.0	-45.97	341.27	6.34	-39.63
CC1(C)CCCCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143133	1	48	-1.0	-45.91	341.33	6.37	-39.54
O=C(CC1CSCCS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143134	0	38	-1.0	-48.52	317.12	5.31	-43.21
O=C(CC1CSCCS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143134	1	38	-1.0	-48.55	317.18	5.34	-43.21
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020143135	0	44	-1.0	-48.57	359.90	0.56	-48.01
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020143135	1	44	-1.0	-48.58	359.96	0.58	-48.00
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCSCC1	REAL300020143136	0	42	-1.0	-35.26	320.47	2.80	-32.46
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCSCC1	REAL300020143136	1	42	-1.0	-35.30	320.53	2.83	-32.47
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCSCC1	REAL300020143136	1	43	0.0	-64.16	327.35	5.10	-59.06
NC(=O)C1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020143137	0	36	-1.0	-40.77	314.60	0.60	-40.17
NC(=O)C1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020143137	1	36	-1.0	-40.85	314.54	0.58	-40.27
O=C(C1=C2CCCCN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143138	0	40	-1.0	-46.37	314.64	3.83	-42.54
O=C(C1=C2CCCCN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143138	1	40	-1.0	-46.36	314.69	3.85	-42.51
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC=C(C)C=C21	REAL300020143139	0	43	-1.0	-43.66	346.97	5.65	-38.01
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC=C(C)C=C21	REAL300020143139	1	43	-1.0	-43.65	347.03	5.67	-37.98
COC1=CC=C(C2=NNC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020143140	0	44	-1.0	-40.22	357.88	4.14	-36.08
COC1=CC=C(C2=NNC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020143140	1	44	-1.0	-40.17	357.93	4.17	-36.00
O=C(CC1=CNC2=CC(Br)=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143141	0	40	-1.0	-50.13	347.89	6.11	-44.02
O=C(CC1=CNC2=CC(Br)=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143141	1	40	-1.0	-50.12	347.94	6.14	-43.98
O=C(CC1=CSC2=CC=C(Cl)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143142	0	39	-1.0	-48.28	347.85	7.32	-40.96
O=C(CC1=CSC2=CC=C(Cl)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143142	1	39	-1.0	-48.28	347.91	7.35	-40.93
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020143143	0	56	-1.0	-48.35	400.72	5.42	-42.93
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020143143	1	56	-1.0	-48.33	400.77	5.45	-42.88
CC(C)(C)OC(=O)N1CCCC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143144	0	56	-1.0	-51.62	402.36	5.73	-45.89
CC(C)(C)OC(=O)N1CCCC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143144	1	56	-1.0	-51.60	402.42	5.75	-45.85
CC1=NC(Cl)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143145	0	35	-1.0	-43.79	299.97	3.68	-40.11
CC1=NC(Cl)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143145	1	35	-1.0	-43.80	300.03	3.71	-40.09
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(SC2=CC=CC=C2)CC1	REAL300020143146	0	41	-1.0	-45.21	338.81	6.94	-38.27
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(SC2=CC=CC=C2)CC1	REAL300020143146	1	41	-1.0	-45.22	338.87	6.97	-38.25
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1CCOCC1	REAL300020143147	0	46	-1.0	-63.56	361.40	1.39	-62.17
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1CCOCC1	REAL300020143147	1	46	-1.0	-63.54	361.46	1.41	-62.13
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CCC(C)C	REAL300020143148	0	48	-1.0	-45.40	374.65	5.63	-39.77
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CCC(C)C	REAL300020143148	1	48	-1.0	-45.44	374.71	5.65	-39.79
O=C(C1=CC(F)=C(F)C=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143149	0	33	-1.0	-41.95	302.16	5.12	-36.83
O=C(C1=CC(F)=C(F)C=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143149	1	33	-1.0	-41.93	302.22	5.15	-36.78
O=C(CCC1=CC=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143150	0	39	-1.0	-46.37	327.93	6.35	-40.02
O=C(CCC1=CC=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143150	1	39	-1.0	-46.42	327.99	6.37	-40.05
CC1=CC=C(C(C)C)C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143151	0	52	-1.0	-46.33	404.59	7.77	-38.56
CC1=CC=C(C(C)C)C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143151	1	52	-1.0	-46.34	404.65	7.80	-38.54
CC(C)C1=CC=CC=C1OCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143152	0	49	-1.0	-46.17	383.18	7.11	-39.06
CC(C)C1=CC=CC=C1OCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143152	1	49	-1.0	-46.21	383.24	7.13	-39.08
CN1N=C2CCCCC2=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143153	0	43	-1.0	-43.82	339.34	4.71	-39.11
CN1N=C2CCCCC2=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143153	1	43	-1.0	-43.80	339.40	4.73	-39.07
O=C(C1=CSC(C2=CC=NC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143154	0	38	-1.0	-46.26	329.77	4.30	-41.96
O=C(C1=CSC(C2=CC=NC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143154	1	38	-1.0	-46.28	329.83	4.32	-41.96
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143155	0	58	-1.0	-52.61	416.98	4.06	-48.55
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143155	1	58	-1.0	-52.60	417.03	4.09	-48.51
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143156	0	45	-1.0	-46.98	373.20	4.68	-42.30
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143156	1	45	-1.0	-46.92	373.25	4.70	-42.22
CCCC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCO1	REAL300020143157	0	46	-1.0	-47.12	349.98	4.84	-42.28
CCCC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCO1	REAL300020143157	1	46	-1.0	-47.14	350.03	4.87	-42.27
O=C(CCCC1=CSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143158	0	39	-1.0	-48.34	327.58	5.97	-42.37
O=C(CCCC1=CSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143158	1	39	-1.0	-48.35	327.64	5.99	-42.36
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143159	0	48	-1.0	-42.22	382.48	3.36	-38.86
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143159	1	48	-1.0	-42.27	382.53	3.38	-38.89
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143160	0	47	-1.0	-48.78	368.19	4.01	-44.77
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143160	1	47	-1.0	-48.75	368.24	4.03	-44.72
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC1CCCC1	REAL300020143162	0	51	-1.0	-47.86	394.45	6.55	-41.31
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC1CCCC1	REAL300020143162	1	51	-1.0	-47.88	394.51	6.57	-41.31
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143163	0	42	-1.0	-50.48	364.23	6.26	-44.22
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143163	1	42	-1.0	-50.47	364.17	6.23	-44.24
COC1=CC2=NNN=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143164	0	39	-1.0	-42.07	319.24	1.38	-40.69
COC1=CC2=NNN=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143164	1	39	-1.0	-42.07	319.29	1.41	-40.66
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143165	0	39	-1.0	-55.42	353.52	6.99	-48.43
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143165	1	39	-1.0	-55.43	353.58	7.02	-48.41
O=C(CC1=CC=C2CC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143166	0	41	-1.0	-51.13	336.64	3.88	-47.25
O=C(CC1=CC=C2CC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143166	1	41	-1.0	-51.12	336.69	3.91	-47.21
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(NC(=O)OC(C)(C)C)=N1	REAL300020143167	0	49	-1.0	-41.52	398.68	3.99	-37.53
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(NC(=O)OC(C)(C)C)=N1	REAL300020143167	1	49	-1.0	-41.52	398.74	4.02	-37.50
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143168	0	42	-1.0	-43.38	347.53	6.32	-37.06
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143168	1	42	-1.0	-43.39	347.47	6.29	-37.10
O=C(C1CCN2C(=CN=C2C2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143169	0	50	-1.0	-42.19	387.69	7.95	-34.24
O=C(C1CCN2C(=CN=C2C2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143169	1	50	-1.0	-42.16	387.75	7.97	-34.19
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020143170	0	49	-1.0	-46.43	390.43	7.53	-38.90
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020143170	1	49	-1.0	-46.41	390.49	7.56	-38.85
O=C(C1=CN=C(OCC2CC2)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143171	0	43	-1.0	-41.99	367.27	4.29	-37.70
O=C(C1=CN=C(OCC2CC2)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143171	1	43	-1.0	-41.98	367.22	4.26	-37.72
O=C(C1=CSC(CC2=CC=CC(F)=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143172	0	42	-1.0	-50.17	364.15	6.81	-43.36
O=C(C1=CSC(CC2=CC=CC(F)=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143172	1	42	-1.0	-50.19	364.21	6.84	-43.35
CC1=CC=C(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143173	0	39	-1.0	-41.54	323.31	6.08	-35.46
CC1=CC=C(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143173	1	39	-1.0	-41.55	323.36	6.10	-35.45
CN1N=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020143174	0	37	-1.0	-43.76	309.49	2.11	-41.65
CN1N=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020143174	1	37	-1.0	-43.80	309.44	2.09	-41.71
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC(C#N)=C1	REAL300020143175	0	44	-1.0	-54.68	367.88	6.94	-47.74
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC(C#N)=C1	REAL300020143175	1	44	-1.0	-54.67	367.93	6.97	-47.70
CO[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020143176	0	40	-1.0	-49.89	321.67	5.24	-44.65
CO[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020143176	1	40	-1.0	-49.89	321.73	5.26	-44.63
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1C	REAL300020143177	0	39	-1.0	-48.10	321.79	6.06	-42.04
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1C	REAL300020143177	1	39	-1.0	-48.11	321.85	6.08	-42.03
O=C(C1=CC2=NSN=C2C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143178	0	36	-1.0	-48.01	320.47	3.51	-44.50
O=C(C1=CC2=NSN=C2C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143178	1	36	-1.0	-48.02	320.42	3.48	-44.54
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020143179	0	43	-1.0	-45.87	357.59	7.23	-38.64
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020143179	1	43	-1.0	-45.81	357.53	7.21	-38.60
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143180	0	45	-1.0	-46.65	379.77	7.72	-38.93
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143180	1	45	-1.0	-46.69	379.83	7.74	-38.95
O=C(C1=CNN=C1C1=CC=C2OCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143181	0	43	-1.0	-49.41	353.99	3.23	-46.18
O=C(C1=CNN=C1C1=CC=C2OCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143181	1	43	-1.0	-49.40	354.05	3.26	-46.14
O=C(CN1C=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143182	0	39	-1.0	-54.96	322.42	6.47	-48.49
O=C(CN1C=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143182	1	39	-1.0	-54.95	322.47	6.49	-48.46
CCC1=NC2=CC=CC=C2N1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143183	0	45	-1.0	-54.62	361.03	6.80	-47.82
CCC1=NC2=CC=CC=C2N1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143183	1	45	-1.0	-54.67	361.09	6.83	-47.84
O=C(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NCC(F)(F)F	REAL300020143184	0	36	-1.0	-56.45	311.58	2.79	-53.66
O=C(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NCC(F)(F)F	REAL300020143184	1	36	-1.0	-56.47	311.64	2.82	-53.65
O=C(C1=CC=C(C2=CC=CS2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143185	0	37	-1.0	-38.85	330.69	6.30	-32.55
O=C(C1=CC=C(C2=CC=CS2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143185	1	37	-1.0	-38.86	330.74	6.32	-32.54
CC(=O)N[C@@H](CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143186	0	45	-1.0	-55.07	343.02	4.12	-50.95
CC(=O)N[C@@H](CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143186	1	45	-1.0	-55.08	343.08	4.15	-50.93
O=C(C1=CC=C(SC2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143187	0	41	-1.0	-45.23	341.11	7.02	-38.21
O=C(C1=CC=C(SC2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143187	1	41	-1.0	-45.20	341.16	7.04	-38.16
O=C(CCC1=CC(F)=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143188	0	39	-1.0	-45.14	339.71	6.80	-38.34
O=C(CCC1=CC(F)=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143188	1	39	-1.0	-45.12	339.77	6.83	-38.29
O=C(C1=CC2=NNN=C2C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143189	0	35	-1.0	-39.69	295.98	1.76	-37.93
O=C(C1=CC2=NNN=C2C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143189	1	35	-1.0	-39.69	296.04	1.79	-37.90
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020143190	0	55	0.0	-63.01	395.21	8.24	-54.77
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020143190	1	55	0.0	-63.03	395.27	8.27	-54.76
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1CCCC1	REAL300020143191	0	52	-1.0	-45.79	399.93	7.11	-38.68
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1CCCC1	REAL300020143191	1	52	-1.0	-45.80	399.99	7.13	-38.67
CC(C)COC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020143192	0	45	-1.0	-41.91	377.15	4.20	-37.71
CC(C)COC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020143192	1	45	-1.0	-41.91	377.10	4.17	-37.74
O=C(C1=NC=CN=C1SC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143193	0	42	-1.0	-43.34	361.22	5.72	-37.62
O=C(C1=NC=CN=C1SC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143193	1	42	-1.0	-43.32	361.17	5.69	-37.63
O=C(CCCCC1=NNN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143194	0	41	-1.0	-48.63	332.89	2.88	-45.75
O=C(CCCCC1=NNN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143194	1	41	-1.0	-48.69	332.95	2.91	-45.78
CCC(CC)N1N=C(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143197	0	48	-1.0	-43.74	370.23	5.84	-37.90
CCC(CC)N1N=C(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143197	1	48	-1.0	-43.78	370.29	5.87	-37.91
CC1=CC(C)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020143198	0	45	-1.0	-47.78	350.20	7.16	-40.62
CC1=CC(C)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020143198	1	45	-1.0	-47.76	350.26	7.19	-40.57
CC1=CC(Br)=CC(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143199	0	36	-1.0	-43.50	330.83	6.18	-37.32
CC1=CC(Br)=CC(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143199	1	36	-1.0	-43.50	330.89	6.20	-37.30
CC(CCCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143200	0	48	-1.0	-37.04	373.96	8.12	-28.92
CC(CCCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143200	1	48	-1.0	-37.08	374.02	8.14	-28.94
O=C(C1=CC(OC(F)F)=CC(OC(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143201	0	41	-1.0	-48.40	347.40	3.53	-44.87
O=C(C1=CC(OC(F)F)=CC(OC(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143201	1	41	-1.0	-48.41	347.46	3.56	-44.85
O=C(C1CCC2=C(Cl)C=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143202	0	40	-1.0	-46.85	327.93	6.73	-40.12
O=C(C1CCC2=C(Cl)C=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143202	1	40	-1.0	-46.89	327.99	6.76	-40.13
CC1=CC=C(CC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143203	0	45	-1.0	-36.88	352.87	7.25	-29.63
CC1=CC=C(CC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143203	1	45	-1.0	-36.91	352.93	7.28	-29.63
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143204	0	46	-1.0	-53.38	381.19	-1.04	-54.42
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143204	1	46	-1.0	-53.28	381.25	-1.02	-54.30
CS(=O)(=O)C1=CC=CC(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143205	0	39	-1.0	-48.13	338.91	2.91	-45.22
CS(=O)(=O)C1=CC=CC(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143205	1	39	-1.0	-48.15	338.97	2.94	-45.21
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC2=CN=CN21	REAL300020143206	0	39	-1.0	-45.23	319.31	6.24	-38.99
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC2=C[NH+]=CN21	REAL300020143206	1	40	0.0	-69.39	322.68	6.76	-62.63
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC2=CN=CN21	REAL300020143206	1	39	-1.0	-45.20	319.37	6.26	-38.94
CN(C)C1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N(C)C2=NC=N1	REAL300020143207	0	46	-1.0	-45.28	361.18	5.22	-40.06
CN(C)C1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N(C)C2=NC=N1	REAL300020143207	1	46	-1.0	-45.29	361.23	5.25	-40.04
O=C(CCC1=CC=C2NC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143208	0	43	-1.0	-48.76	347.43	6.29	-42.47
O=C(CCC1=CC=C2NC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143208	1	43	-1.0	-48.78	347.49	6.31	-42.47
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(OC)C=C1	REAL300020143209	0	46	-1.0	-47.51	360.50	5.79	-41.72
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(OC)C=C1	REAL300020143209	1	46	-1.0	-47.55	360.56	5.82	-41.73
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(F)C=C2F)CCC1	REAL300020143210	0	43	-1.0	-51.86	340.99	6.65	-45.21
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(F)C=C2F)CCC1	REAL300020143210	1	43	-1.0	-51.87	341.05	6.68	-45.19
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=C(Cl)C=C1	REAL300020143211	0	44	-1.0	-43.48	368.51	7.11	-36.37
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=C(Cl)C=C1	REAL300020143211	1	44	-1.0	-43.44	368.57	7.13	-36.31
O=C(CCCC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143212	0	48	-1.0	-50.42	383.68	9.28	-41.14
O=C(CCCC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143212	1	48	-1.0	-50.42	383.73	9.31	-41.11
C=CCCOCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143213	0	46	-1.0	-46.42	367.49	5.40	-41.02
C=CCCOCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143213	1	46	-1.0	-46.42	367.55	5.43	-40.99
CC(C)C(NS(C)(=O)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143214	0	43	-1.0	-50.76	336.64	-0.26	-51.02
CC(C)C(NS(C)(=O)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143214	1	43	-1.0	-50.85	336.70	-0.24	-51.09
CC(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(=O)N1	REAL300020143215	0	42	-1.0	-42.61	340.21	3.53	-39.08
CC(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(=O)N1	REAL300020143215	1	42	-1.0	-42.65	340.26	3.56	-39.09
CC(C)(C)OCC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143216	0	49	-1.0	-46.36	374.06	6.39	-39.97
CC(C)(C)OCC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143216	1	49	-1.0	-46.36	374.12	6.41	-39.95
CCC(C)N1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020143217	0	45	-1.0	-47.83	352.34	5.47	-42.36
CCC(C)N1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020143217	1	45	-1.0	-47.84	352.40	5.49	-42.35
CC1=C(C)N2C(=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=O)S1	REAL300020143218	0	41	-1.0	-50.81	340.28	4.88	-45.93
CC1=C(C)N2C(=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=O)S1	REAL300020143218	1	41	-1.0	-50.78	340.23	4.86	-45.92
O=C(C(F)CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143219	0	39	-1.0	-37.73	321.24	6.23	-31.50
O=C(C(F)CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143219	1	39	-1.0	-37.69	321.29	6.26	-31.43
O=C(C1=CC=CC(Cl)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143220	0	33	-2.0	-103.33	293.52	3.25	-100.08
O=C(C1=CC=CC(Cl)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143220	1	33	-2.0	-103.30	293.57	3.27	-100.03
COC1=CC=C(SC)C(OC)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143221	0	45	-1.0	-51.08	375.40	4.45	-46.63
COC1=CC=C(SC)C(OC)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143221	1	45	-1.0	-51.08	375.46	4.47	-46.61
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(Cl)C=C1	REAL300020143222	0	43	-1.0	-44.32	363.68	7.09	-37.23
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(Cl)C=C1	REAL300020143222	1	43	-1.0	-44.29	363.74	7.11	-37.18
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300020143223	0	42	-1.0	-38.37	365.98	6.15	-32.22
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300020143223	1	42	-1.0	-38.38	365.92	6.13	-32.25
O=C(C1=CC=C(C2=CN=CC=N2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143224	0	40	-1.0	-42.76	331.45	3.45	-39.31
O=C(C1=CC=C(C2=CN=CC=N2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143224	1	40	-1.0	-42.75	331.50	3.47	-39.28
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143225	0	48	-1.0	-46.74	401.27	8.50	-38.24
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143225	1	48	-1.0	-46.77	401.33	8.53	-38.24
O=C(C1=CN=C2OCC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143226	0	38	-1.0	-46.80	316.28	-1.39	-48.19
O=C(C1=CN=C2OCC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143226	1	38	-1.0	-46.81	316.22	-1.42	-48.23
CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1O	REAL300020143227	0	40	-1.0	-50.42	325.80	3.35	-47.07
CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1O	REAL300020143227	1	40	-1.0	-50.43	325.86	3.38	-47.05
N#CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020143228	0	34	-1.0	-47.10	306.68	5.25	-41.85
N#CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020143228	1	34	-1.0	-47.13	306.73	5.27	-41.86
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143229	0	40	-1.0	-48.27	356.46	4.96	-43.31
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143229	1	40	-1.0	-48.26	356.51	4.99	-43.27
CN1N=NN=C1SCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143230	0	35	-1.0	-46.22	307.97	2.12	-44.10
CN1N=NN=C1SCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143230	1	35	-1.0	-46.22	307.92	2.09	-44.13
O=C(CC(O)C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143231	0	40	-1.0	-49.04	339.72	4.47	-44.57
O=C(CC(O)C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143231	1	40	-1.0	-49.02	339.78	4.50	-44.52
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020143232	0	43	-1.0	-47.86	349.64	5.45	-42.41
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020143232	1	43	-1.0	-47.93	349.59	5.42	-42.51
O=C(C1=CC([N+](=O)[O-])=CC=C1OC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143233	0	39	-1.0	-42.47	338.54	4.97	-37.50
O=C(C1=CC([N+](=O)[O-])=CC=C1OC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143233	1	39	-1.0	-42.54	338.59	4.99	-37.55
CC(C)(C)SC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020143234	0	45	-1.0	-46.15	361.42	6.80	-39.35
CC(C)(C)SC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020143234	1	45	-1.0	-46.14	361.37	6.77	-39.37
O=C(C1=CC=C(C(F)(F)F)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143235	0	36	-1.0	-36.16	323.89	5.91	-30.25
O=C(C1=CC=C(C(F)(F)F)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143235	1	36	-1.0	-36.18	323.95	5.94	-30.24
CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1CC	REAL300020143236	0	45	-1.0	-45.94	347.46	6.99	-38.95
CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1CC	REAL300020143236	1	45	-1.0	-45.99	347.51	7.02	-38.97
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143237	0	48	-1.0	-50.16	378.95	5.52	-44.64
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143237	1	48	-1.0	-50.19	379.01	5.55	-44.64
N#CCC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143238	0	40	-1.0	-46.40	331.19	6.31	-40.09
N#CCC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143238	1	40	-1.0	-46.40	331.24	6.33	-40.07
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020143239	0	56	-1.0	-56.54	399.76	5.89	-50.65
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020143239	1	56	-1.0	-56.54	399.82	5.92	-50.62
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143240	0	44	-1.0	-48.22	375.98	7.82	-40.40
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143240	1	44	-1.0	-48.21	376.03	7.84	-40.37
O=C(C1=COC(C2=CC=CC=C2Cl)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143241	0	39	-1.0	-45.86	335.53	4.96	-40.90
O=C(C1=COC(C2=CC=CC=C2Cl)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143241	1	39	-1.0	-45.87	335.47	4.94	-40.93
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=NC(C)=NC(N)=C12	REAL300020143242	0	42	-1.0	-43.27	345.69	3.43	-39.84
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=NC(C)=NC(N)=C12	REAL300020143242	1	42	-1.0	-43.22	345.75	3.46	-39.76
CC1=NC(N)=NC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143243	0	39	-1.0	-43.40	318.99	2.99	-40.41
CC1=NC(N)=NC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143243	1	39	-1.0	-43.40	319.05	3.02	-40.38
O=C(C1=CC=CC=C1OC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143244	0	37	-1.0	-38.76	316.00	4.47	-34.29
O=C(C1=CC=CC=C1OC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143244	1	37	-1.0	-38.82	316.06	4.50	-34.32
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143245	0	45	-1.0	-50.69	371.59	1.75	-48.94
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143245	1	45	-1.0	-50.67	371.65	1.77	-48.90
O=C(C1CC(=O)N(C2=C(F)C=CC=C2F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143246	0	44	-1.0	-52.88	366.32	6.05	-46.83
O=C(C1CC(=O)N(C2=C(F)C=CC=C2F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143246	1	44	-1.0	-52.89	366.38	6.08	-46.81
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300020143247	0	38	-1.0	-41.38	330.12	6.07	-35.31
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300020143247	1	38	-1.0	-41.36	330.18	6.10	-35.26
CSC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143248	0	40	-1.0	-47.99	332.14	6.35	-41.64
CSC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143248	1	40	-1.0	-48.00	332.20	6.38	-41.62
COCCOC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020143249	0	43	-1.0	-48.77	353.11	1.39	-47.38
COCCOC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020143249	1	43	-1.0	-48.75	353.06	1.37	-47.38
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020143250	0	38	-1.0	-41.47	317.67	4.90	-36.57
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020143250	1	38	-1.0	-41.51	317.72	4.93	-36.58
O=C(C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143251	0	48	-1.0	-51.37	374.14	3.87	-47.50
O=C(C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143251	1	48	-1.0	-51.37	374.19	3.89	-47.48
COC1=NC(C)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143252	0	39	-1.0	-50.72	318.60	2.07	-48.65
COC1=NC(C)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143252	1	39	-1.0	-50.71	318.66	2.10	-48.61
COCC1=NN=C(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020143253	0	45	-1.0	-56.06	377.11	0.15	-55.91
COCC1=NN=C(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020143253	1	45	-1.0	-55.98	377.17	0.17	-55.81
CC1=CSC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(=O)N12	REAL300020143254	0	38	-1.0	-48.44	319.31	4.13	-44.31
CC1=CSC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(=O)N12	REAL300020143254	1	38	-1.0	-48.44	319.25	4.11	-44.33
O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143255	0	40	-1.0	-45.11	362.61	7.42	-37.69
O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143255	1	40	-1.0	-45.09	362.56	7.40	-37.69
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC1=CC=C(Cl)C=C1	REAL300020143256	0	45	-1.0	-48.35	367.00	7.96	-40.39
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1=CC=C(Cl)C=C1	REAL300020143256	1	45	-1.0	-48.35	367.06	7.98	-40.37
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143257	0	43	-1.0	-47.85	360.67	0.57	-47.28
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143257	1	43	-1.0	-47.85	360.72	0.59	-47.26
O=C(C=CC1=CC=C(O)C(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143258	0	39	-1.0	-50.81	325.19	1.03	-49.78
O=C(C=CC1=CC=C(O)C(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143258	1	39	-1.0	-50.75	325.25	1.06	-49.69
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143259	0	38	-1.0	-50.24	320.82	0.32	-49.92
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143259	1	38	-1.0	-50.22	320.88	0.35	-49.87
CN1C=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020143260	0	38	-1.0	-48.60	313.90	4.99	-43.61
CN1C=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020143260	1	38	-1.0	-48.60	313.84	4.96	-43.64
CC(O)C(NC(=O)C1CCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143261	0	50	-1.0	-44.56	374.13	1.15	-43.41
CC(O)C(NC(=O)C1CCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143261	1	50	-1.0	-44.56	374.19	1.17	-43.39
CC(O)C(NC(=O)C1CC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143262	0	44	-1.0	-44.81	344.38	-0.10	-44.91
CC(O)C(NC(=O)C1CC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143262	1	44	-1.0	-44.83	344.44	-0.07	-44.90
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C2=CC=CC=C2)S1	REAL300020143263	0	42	-1.0	-48.32	359.54	6.04	-42.28
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C2=CC=CC=C2)S1	REAL300020143263	1	42	-1.0	-48.29	359.60	6.06	-42.23
COC1=C(C)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020143264	0	43	-1.0	-45.27	342.27	5.29	-39.98
COC1=C(C)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020143264	1	43	-1.0	-45.29	342.33	5.32	-39.97
O=C(C1=CC=C(C(F)(F)F)C=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143265	0	37	-1.0	-46.55	321.10	2.92	-43.63
O=C(C1=CC=C(C(F)(F)F)C=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143265	1	37	-1.0	-46.53	321.15	2.95	-43.58
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143265	1	36	-2.0	-93.72	315.82	4.15	-89.57
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143265	1	36	-2.0	-93.70	315.87	4.17	-89.53
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)=C1	REAL300020143266	0	49	-1.0	-44.08	390.71	8.32	-35.76
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)O2)=C1	REAL300020143266	1	49	-1.0	-44.10	390.76	8.34	-35.76
O=C(C1=CC=C(F)C(Cl)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143267	0	33	-1.0	-48.47	298.77	5.04	-43.43
O=C(C1=CC=C(F)C(Cl)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143267	1	33	-1.0	-48.46	298.83	5.06	-43.40
O=C(C1=CN=CN=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143268	0	41	-1.0	-44.83	336.29	5.82	-39.01
O=C(C1=CN=CN=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143268	1	41	-1.0	-44.79	336.23	5.79	-39.00
O=C(C1=C(Br)N=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143269	0	29	-1.0	-46.66	274.82	2.14	-44.52
O=C(C1=C(Br)N=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143269	1	29	-1.0	-46.66	274.77	2.11	-44.55
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1N=NN=C1C(C)(C)C	REAL300020143270	0	46	-1.0	-57.08	354.92	3.53	-53.55
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1N=NN=C1C(C)(C)C	REAL300020143270	1	46	-1.0	-57.10	354.86	3.51	-53.59
O=C(C1=CSC(NC2CC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143271	0	38	-1.0	-40.55	322.76	4.00	-36.55
O=C(C1=CSC(NC2CC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143271	1	38	-1.0	-40.52	322.70	3.97	-36.55
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143272	0	49	-1.0	-44.92	399.77	3.40	-41.52
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143272	1	49	-1.0	-44.94	399.83	3.43	-41.51
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(F)C=C1	REAL300020143273	0	43	-1.0	-44.70	353.35	6.63	-38.07
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(F)C=C1	REAL300020143273	1	43	-1.0	-44.65	353.41	6.66	-37.99
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(C)C=C1	REAL300020143274	0	46	-1.0	-46.50	368.35	7.24	-39.26
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(C)C=C1	REAL300020143274	1	46	-1.0	-46.53	368.41	7.27	-39.26
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC(Cl)=C1	REAL300020143275	0	43	-1.0	-42.27	363.79	7.08	-35.19
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC(Cl)=C1	REAL300020143275	1	43	-1.0	-42.30	363.85	7.11	-35.19
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC(C)=CC(C)=C1	REAL300020143276	0	49	-1.0	-47.22	391.26	7.93	-39.29
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC(C)=CC(C)=C1	REAL300020143276	1	49	-1.0	-47.20	391.32	7.95	-39.25
NC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143277	0	37	-1.0	-55.46	312.51	3.43	-52.03
NC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143277	1	37	-1.0	-55.47	312.57	3.45	-52.02
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143278	0	50	-1.0	-48.48	400.58	8.43	-40.05
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143278	1	50	-1.0	-48.47	400.64	8.46	-40.01
O=C(C1=CC=NC(OC2CCCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143279	0	49	-1.0	-43.32	380.55	4.94	-38.38
O=C(C1=CC=NC(OC2CCCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143279	1	49	-1.0	-43.32	380.49	4.92	-38.40
O=C(C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143280	0	44	-1.0	-46.00	385.45	8.96	-37.04
O=C(C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143280	1	44	-1.0	-46.01	385.51	8.99	-37.02
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C(C)C1CC1	REAL300020143281	0	46	-1.0	-48.21	363.94	6.31	-41.90
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C(C)C1CC1	REAL300020143281	1	46	-1.0	-48.22	363.99	6.34	-41.88
CC1=CC=C(SC2CCCC2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143282	0	50	-1.0	-49.47	392.72	8.77	-40.70
CC1=CC=C(SC2CCCC2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143282	1	50	-1.0	-49.44	392.78	8.80	-40.64
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143283	0	53	-1.0	-54.87	416.78	5.68	-49.19
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143283	1	53	-1.0	-54.82	416.83	5.70	-49.12
O=C(C1=NC=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143284	0	35	-1.0	-41.71	298.56	4.23	-37.48
O=C(C1=NC=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143284	1	35	-1.0	-41.74	298.50	4.21	-37.53
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143285	0	48	-1.0	-46.02	380.17	7.15	-38.87
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143285	1	48	-1.0	-46.04	380.22	7.18	-38.86
CCOC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143286	0	40	-1.0	-39.03	338.09	5.41	-33.62
CCOC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143286	1	40	-1.0	-39.05	338.15	5.44	-33.61
CC1=CN2C(=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=O)S1	REAL300020143287	0	38	-1.0	-48.10	326.79	4.38	-43.72
CC1=CN2C(=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=O)S1	REAL300020143287	1	38	-1.0	-48.04	326.74	4.35	-43.69
CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(=O)N1	REAL300020143288	0	39	-1.0	-43.42	322.39	2.84	-40.58
CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(=O)N1	REAL300020143288	1	39	-1.0	-43.48	322.45	2.86	-40.62
N#CC1=CC=CC=C1OC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143289	0	45	-1.0	-56.21	380.71	7.95	-48.26
N#CC1=CC=CC=C1OC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143289	1	45	-1.0	-56.20	380.77	7.98	-48.22
O=C(C1=CC(OCC(F)F)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143290	0	39	-1.0	-45.37	329.40	4.06	-41.31
O=C(C1=CC(OCC(F)F)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143290	1	39	-1.0	-45.39	329.34	4.04	-41.35
O=C(C1=CN=C(OC2=CC=CC=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143291	0	42	-1.0	-40.06	351.48	3.72	-36.34
O=C(C1=CN=C(OC2=CC=CC=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143291	1	42	-1.0	-40.10	351.42	3.70	-36.40
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=N1	REAL300020143292	0	43	-1.0	-50.36	350.43	5.87	-44.49
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=N1	REAL300020143292	1	43	-1.0	-50.35	350.37	5.85	-44.50
COC1=C2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CNC2=CC=C1	REAL300020143293	0	44	-1.0	-52.48	354.70	4.83	-47.65
COC1=C2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CNC2=CC=C1	REAL300020143293	1	44	-1.0	-52.50	354.76	4.85	-47.65
CCCCCCCCC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143294	0	56	-1.0	-45.70	420.10	9.15	-36.55
CCCCCCCCC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143294	1	56	-1.0	-45.70	420.16	9.18	-36.52
C=CCOC1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143295	0	40	-1.0	-45.01	329.16	5.12	-39.89
C=CCOC1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143295	1	40	-1.0	-45.00	329.10	5.09	-39.91
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2CCCCC2)=N1	REAL300020143296	0	48	-1.0	-37.49	380.40	6.19	-31.30
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2CCCCC2)=N1	REAL300020143296	1	48	-1.0	-37.53	380.45	6.22	-31.31
O=C(C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143297	0	38	-1.0	-44.21	323.96	4.11	-40.10
O=C(C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143297	1	38	-1.0	-44.22	324.01	4.13	-40.09
N#CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020143298	0	40	-1.0	-40.13	328.66	6.22	-33.91
N#CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020143298	1	40	-1.0	-40.17	328.71	6.25	-33.92
CC1=CC(Br)=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143299	0	39	-1.0	-47.08	332.73	6.54	-40.54
CC1=CC(Br)=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143299	1	39	-1.0	-47.07	332.79	6.57	-40.50
COC1=CC=C(N2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C)C=C1	REAL300020143300	0	47	-1.0	-47.68	376.43	5.87	-41.81
COC1=CC=C(N2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C)C=C1	REAL300020143300	1	47	-1.0	-47.69	376.49	5.89	-41.80
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL300020143301	0	43	-1.0	-49.77	360.41	7.73	-42.04
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL300020143301	1	43	-1.0	-49.79	360.47	7.75	-42.04
COC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCC2)C=C1OC	REAL300020143302	0	54	-1.0	-47.57	397.04	6.54	-41.03
COC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCC2)C=C1OC	REAL300020143302	1	54	-1.0	-47.57	397.09	6.56	-41.01
CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020143303	0	42	-1.0	-43.82	351.08	4.32	-39.50
CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020143303	1	42	-1.0	-43.83	351.14	4.34	-39.49
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143304	0	49	-1.0	-52.91	400.84	6.96	-45.95
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143304	1	49	-1.0	-52.92	400.78	6.93	-45.99
COCCC1=NN=C(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020143305	0	48	-1.0	-54.25	397.98	0.89	-53.36
COCCC1=NN=C(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020143305	1	48	-1.0	-54.25	398.04	0.92	-53.33
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C(C)C	REAL300020143306	0	42	-1.0	-45.74	335.32	4.25	-41.49
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C(C)C	REAL300020143306	1	42	-1.0	-45.79	335.37	4.27	-41.52
CCC(C)OC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020143307	0	45	-1.0	-46.75	360.34	3.85	-42.90
CCC(C)OC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020143307	1	45	-1.0	-46.78	360.28	3.83	-42.95
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NO2)=C1	REAL300020143308	0	48	-1.0	-52.22	398.02	6.10	-46.12
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NO2)=C1	REAL300020143308	1	48	-1.0	-52.25	398.08	6.13	-46.12
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143309	0	45	-1.0	-46.74	374.94	7.45	-39.29
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143309	1	45	-1.0	-46.76	375.00	7.47	-39.29
CC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL300020143310	0	43	-1.0	-46.75	346.31	7.26	-39.49
CC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020143310	1	43	-1.0	-46.78	346.37	7.29	-39.49
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143311	0	50	-1.0	-49.06	390.28	8.89	-40.17
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143311	1	50	-1.0	-49.03	390.33	8.91	-40.12
CC(C)CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(=O)N1	REAL300020143312	0	45	-1.0	-47.81	359.82	4.54	-43.27
CC(C)CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(=O)N1	REAL300020143312	1	45	-1.0	-47.76	359.88	4.56	-43.20
COC(=O)C1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143313	0	35	-1.0	-41.40	302.89	2.55	-38.85
COC(=O)C1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143313	1	35	-1.0	-41.41	302.83	2.53	-38.88
CC1=CC=CC(C2=NOC(SCC(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020143314	0	45	-1.0	-48.36	388.82	5.28	-43.08
CC1=CC=CC(C2=NOC(SCC(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020143314	1	45	-1.0	-48.30	388.76	5.26	-43.04
O=C(C1=CC(Br)=NC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143315	0	32	-1.0	-43.82	293.33	3.28	-40.54
O=C(C1=CC(Br)=NC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143315	1	32	-1.0	-43.78	293.27	3.26	-40.52
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143316	0	40	-1.0	-47.21	336.74	6.80	-40.41
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143316	1	40	-1.0	-47.21	336.79	6.83	-40.38
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(F)C=C2F)CCCC1	REAL300020143317	0	46	-1.0	-41.78	340.45	7.28	-34.50
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(F)C=C2F)CCCC1	REAL300020143317	1	46	-1.0	-41.85	340.50	7.31	-34.54
CC1=NC(COC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=NO1	REAL300020143318	0	45	-1.0	-50.71	373.40	3.24	-47.47
CC1=NC(COC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=NO1	REAL300020143318	1	45	-1.0	-50.70	373.45	3.26	-47.44
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020143319	0	37	-1.0	-44.74	315.39	4.28	-40.46
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020143319	1	37	-1.0	-44.74	315.45	4.30	-40.44
CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1S(C)(=O)=O	REAL300020143320	0	45	-1.0	-57.13	357.32	3.33	-53.80
CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1S(C)(=O)=O	REAL300020143320	1	45	-1.0	-57.12	357.38	3.35	-53.77
CCC1=NN(C)C(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143321	0	39	-1.0	-44.47	336.42	4.09	-40.38
CCC1=NN(C)C(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143321	1	39	-1.0	-44.47	336.48	4.11	-40.36
CN1C(=O)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1C1=CC=C(F)C=C1	REAL300020143322	0	47	-1.0	-53.36	376.46	6.08	-47.28
CN1C(=O)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1C1=CC=C(F)C=C1	REAL300020143322	1	47	-1.0	-53.39	376.52	6.11	-47.28
COC1=C(Br)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143323	0	34	-1.0	-37.29	311.07	3.42	-33.87
COC1=C(Br)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143323	1	34	-1.0	-37.30	311.13	3.45	-33.85
N#CC1=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020143324	0	40	-1.0	-39.48	337.61	7.08	-32.40
N#CC1=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020143324	1	40	-1.0	-39.47	337.66	7.11	-32.36
O=C(C1COC2=CC=C(Br)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143325	0	38	-1.0	-49.22	325.56	4.86	-44.36
O=C(C1COC2=CC=C(Br)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143325	1	38	-1.0	-49.24	325.62	4.88	-44.36
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL300020143326	0	41	-1.0	-49.15	347.49	0.54	-48.61
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL300020143326	1	41	-1.0	-49.19	347.54	0.56	-48.63
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=C(F)C=CC=C1F	REAL300020143327	0	36	-1.0	-48.01	306.63	5.18	-42.83
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=C(F)C=CC=C1F	REAL300020143327	1	36	-1.0	-47.99	306.69	5.20	-42.79
N#CC1=CC=C(C2CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143328	0	41	-1.0	-49.22	342.86	7.15	-42.07
N#CC1=CC=C(C2CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143328	1	41	-1.0	-49.27	342.92	7.18	-42.09
O=C(C1=CN=CC(I)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143329	0	32	-1.0	-42.45	293.19	3.68	-38.77
O=C(C1=CN=CC(I)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143329	1	32	-1.0	-42.46	293.14	3.66	-38.80
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N1CCCC(C3=N[N-]N=N3)C1)C2=O	REAL300020143330	0	54	-1.0	-53.20	408.35	4.27	-48.93
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N1CCCC(C3=NN=N[N-]3)C1)C2=O	REAL300020143330	1	54	-1.0	-53.13	408.41	4.30	-48.83
COC1=CC=C(COCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143331	0	50	-1.0	-52.18	401.13	5.62	-46.56
COC1=CC=C(COCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143331	1	50	-1.0	-52.19	401.19	5.64	-46.55
O=C(C1=CC(Br)=CC2=CC=CN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143332	0	38	-1.0	-51.94	333.65	5.64	-46.30
O=C(C1=CC(Br)=CC2=CC=CN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143332	1	38	-1.0	-51.97	333.60	5.62	-46.35
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300020143333	0	51	-1.0	-47.61	406.58	9.00	-38.61
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300020143333	1	51	-1.0	-47.61	406.63	9.03	-38.58
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143334	0	42	-1.0	-47.04	358.27	6.92	-40.12
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143334	1	42	-1.0	-47.06	358.33	6.95	-40.11
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CC(C)C	REAL300020143335	0	48	-1.0	-45.69	374.95	5.84	-39.85
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CC(C)C	REAL300020143335	1	48	-1.0	-45.73	375.01	5.87	-39.86
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC1CCCC1	REAL300020143336	0	46	-1.0	-45.27	359.81	3.80	-41.47
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC1CCCC1	REAL300020143336	1	46	-1.0	-45.30	359.87	3.82	-41.48
O=C(C1=CC=C([N+](=O)[O-])C2=CC=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143337	0	40	-1.0	-50.86	333.62	5.63	-45.23
O=C(C1=CC=C([N+](=O)[O-])C2=CC=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143337	1	40	-1.0	-50.86	333.56	5.60	-45.26
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143338	0	42	-1.0	-55.53	354.71	6.17	-49.36
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143338	1	42	-1.0	-55.53	354.77	6.20	-49.33
CC(C)NC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143339	0	46	-1.0	-50.53	369.05	4.39	-46.14
CC(C)NC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143339	1	46	-1.0	-50.50	369.11	4.41	-46.09
O=C(C1=CC=CC(C2=NNC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143340	0	39	-1.0	-54.10	324.36	5.28	-48.82
O=C(C1=CC=CC(C2=NNC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143340	1	39	-1.0	-54.07	324.42	5.31	-48.76
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143341	0	56	-1.0	-49.87	426.81	6.30	-43.57
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143341	1	56	-1.0	-49.90	426.87	6.32	-43.58
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1Cl	REAL300020143342	0	43	-1.0	-47.44	363.59	7.31	-40.13
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1Cl	REAL300020143342	1	43	-1.0	-47.45	363.64	7.33	-40.12
O=C(C1=CN(C2=CC=CC(Cl)=C2F)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143343	0	39	-1.0	-45.84	343.99	5.23	-40.61
O=C(C1=CN(C2=CC=CC(Cl)=C2F)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143343	1	39	-1.0	-45.84	343.94	5.20	-40.64
O=C(C1=CC=CC(C2=COC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143344	0	40	-1.0	-48.35	329.51	6.03	-42.32
O=C(C1=CC=CC(C2=COC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143344	1	40	-1.0	-48.31	329.57	6.06	-42.25
COC1=CC2=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C2C=C1	REAL300020143345	0	46	-1.0	-51.52	366.72	6.87	-44.65
COC1=CC2=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C2C=C1	REAL300020143345	1	46	-1.0	-51.56	366.77	6.90	-44.66
CC(C)(C)OC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020143346	0	49	-1.0	-49.97	373.81	7.11	-42.86
CC(C)(C)OC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020143346	1	49	-1.0	-50.03	373.87	7.13	-42.90
O=C(C1=C(N2C=CC=C2)SC2=C1CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143347	0	45	-1.0	-48.68	369.08	8.62	-40.06
O=C(C1=C(N2C=CC=C2)SC2=C1CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143347	1	45	-1.0	-48.71	369.13	8.65	-40.06
O=C(C1=CC=CC(C2CCOC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143348	0	44	-1.0	-47.26	345.28	5.05	-42.21
O=C(C1=CC=CC(C2CCOC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143348	1	44	-1.0	-47.23	345.34	5.07	-42.16
COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1F	REAL300020143349	0	37	-1.0	-53.96	305.49	3.80	-50.16
COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1F	REAL300020143349	1	37	-1.0	-53.99	305.55	3.83	-50.16
O=C(CN1C=NC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143350	0	42	-1.0	-60.47	350.83	7.16	-53.31
O=C(CN1C=NC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143350	1	42	-1.0	-60.49	350.77	7.14	-53.35
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143351	0	49	-1.0	-54.57	389.27	7.07	-47.50
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143351	1	49	-1.0	-54.55	389.33	7.09	-47.46
CC(SC1=NC2=CC=CC=C2S1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143352	0	42	-1.0	-46.35	362.26	6.40	-39.95
CC(SC1=NC2=CC=CC=C2S1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143352	1	42	-1.0	-46.29	362.20	6.37	-39.92
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143353	0	56	-1.0	-57.25	421.11	6.19	-51.06
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143353	1	56	-1.0	-57.28	421.17	6.21	-51.07
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020143354	0	42	-1.0	-43.44	346.13	5.52	-37.92
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020143354	1	42	-1.0	-43.44	346.07	5.49	-37.95
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020143355	0	42	-1.0	-46.33	345.41	6.57	-39.76
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020143355	1	42	-1.0	-46.31	345.47	6.59	-39.72
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2)=C1	REAL300020143356	0	47	-1.0	-47.62	378.28	5.25	-42.37
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2)=C1	REAL300020143356	1	47	-1.0	-47.64	378.34	5.27	-42.37
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143357	0	46	-1.0	-57.27	388.25	0.54	-56.73
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143357	1	46	-1.0	-57.36	388.30	0.56	-56.80
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143358	0	37	-1.0	-50.69	320.01	-2.51	-53.20
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143358	1	37	-1.0	-50.67	319.96	-2.53	-53.20
CN(C(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CC=C1	REAL300020143359	0	50	-1.0	-48.49	390.16	7.42	-41.07
CN(C(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CC=C1	REAL300020143359	1	50	-1.0	-48.48	390.22	7.44	-41.04
O=C(CC1=CNC2=CC=CC(Br)=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143360	0	40	-1.0	-50.85	342.56	5.94	-44.91
O=C(CC1=CNC2=CC=CC(Br)=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143360	1	40	-1.0	-50.88	342.62	5.96	-44.92
COC1=CC=C(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143361	0	40	-1.0	-42.06	331.40	4.70	-37.36
COC1=CC=C(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143361	1	40	-1.0	-42.07	331.45	4.73	-37.34
O=C(C1=NN(C2=CC=CC=C2F)C(=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143362	0	42	-1.0	-50.18	359.87	5.40	-44.78
O=C(C1=NN(C2=CC=CC=C2F)C(=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143362	1	42	-1.0	-50.14	359.93	5.42	-44.72
O=C(NC1CC1)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143363	0	44	-1.0	-47.39	358.54	4.45	-42.94
O=C(NC1CC1)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143363	1	44	-1.0	-47.39	358.60	4.47	-42.92
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1O	REAL300020143364	0	42	-1.0	-46.01	339.33	1.46	-44.55
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1O	REAL300020143364	1	42	-1.0	-45.98	339.39	1.48	-44.50
O=C(C1=CN2C(=O)NN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143365	0	36	-1.0	-46.67	306.68	2.93	-43.74
O=C(C1=CN2C(=O)NN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143365	1	36	-1.0	-46.73	306.74	2.95	-43.78
CC(=O)CCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143366	0	46	-1.0	-49.71	365.35	6.26	-43.45
CC(=O)CCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143366	1	46	-1.0	-49.72	365.41	6.28	-43.44
O=C(C1CCN(C2=CN=CC3=NN=NN32)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143367	0	48	-1.0	-52.80	369.47	4.11	-48.69
O=C(C1CCN(C2=CN=CC3=NN=NN32)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143367	1	48	-1.0	-52.75	369.41	4.09	-48.66
N#CC1=CC(Cl)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020143368	0	34	-1.0	-44.88	326.59	5.84	-39.04
N#CC1=CC(Cl)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020143368	1	34	-1.0	-44.89	326.65	5.86	-39.03
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(CC1Br)C2	REAL300020143369	0	40	-1.0	-47.65	310.68	5.34	-42.31
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(CC1Br)C2	REAL300020143369	1	40	-1.0	-47.65	310.73	5.36	-42.29
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020143370	0	40	-1.0	-49.48	320.63	5.26	-44.22
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020143370	1	40	-1.0	-49.43	320.69	5.28	-44.15
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020143371	0	36	-1.0	-43.70	309.94	5.62	-38.08
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020143371	1	36	-1.0	-43.67	310.00	5.65	-38.02
O=C(C1=CC=CC(C2=C(F)C=CC=C2F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143372	0	43	-1.0	-50.56	362.87	8.16	-42.40
O=C(C1=CC=CC(C2=C(F)C=CC=C2F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143372	1	43	-1.0	-50.58	362.93	8.18	-42.40
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143373	0	48	-1.0	-52.11	398.26	4.68	-47.43
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143373	1	48	-1.0	-52.09	398.32	4.70	-47.39
CC(C)CC1=CC=C(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143374	0	51	-1.0	-46.23	390.85	8.46	-37.77
CC(C)CC1=CC=C(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143374	1	51	-1.0	-46.22	390.90	8.49	-37.73
O=C(C1=CC(F)=C(Cl)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143375	0	33	-1.0	-43.92	299.32	5.06	-38.86
O=C(C1=CC(F)=C(Cl)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143375	1	33	-1.0	-43.87	299.38	5.09	-38.78
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143376	0	35	-1.0	-48.27	304.70	2.96	-45.31
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143376	1	35	-1.0	-48.26	304.64	2.94	-45.32
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(N(C)C)=N1	REAL300020143377	0	40	-1.0	-40.37	330.90	4.00	-36.37
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(N(C)C)=N1	REAL300020143377	1	40	-1.0	-40.35	330.95	4.03	-36.32
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143378	0	44	-1.0	-43.57	360.85	4.82	-38.75
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143378	1	44	-1.0	-43.53	360.91	4.84	-38.69
CC1=C(C#N)C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020143379	0	36	-1.0	-50.84	313.10	4.06	-46.78
CC1=C(C#N)C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020143379	1	36	-1.0	-50.84	313.16	4.09	-46.75
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C21	REAL300020143380	0	45	-1.0	-50.74	334.33	4.72	-46.02
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C21	REAL300020143380	1	45	-1.0	-50.76	334.38	4.74	-46.02
CN1C(=O)OC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020143381	0	39	-1.0	-61.78	325.26	4.42	-57.36
CN1C(=O)OC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020143381	1	39	-1.0	-61.80	325.31	4.45	-57.35
O=C(C1CCC2=NNC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143382	0	40	-1.0	-39.26	312.98	3.33	-35.93
O=C(C1CCC2=NNC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143382	1	40	-1.0	-39.26	313.04	3.36	-35.90
O=C(C1=CN=C(C2CCCO2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143383	0	40	-1.0	-45.24	333.98	2.57	-42.67
O=C(C1=CN=C(C2CCCO2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143383	1	40	-1.0	-45.25	334.04	2.60	-42.65
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143384	0	38	-1.0	-51.85	318.79	5.11	-46.74
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143384	1	38	-1.0	-51.82	318.74	5.08	-46.74
O=C(CCC1=CN=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143385	0	38	-1.0	-45.90	317.42	4.57	-41.33
O=C(CCC1=CN=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143385	1	38	-1.0	-45.90	317.36	4.54	-41.36
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020143386	0	49	-1.0	-50.66	399.57	7.70	-42.96
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020143386	1	49	-1.0	-50.63	399.63	7.73	-42.90
CC1=NC2=CC=NN2C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143387	0	41	-1.0	-43.58	335.76	4.47	-39.11
CC1=NC2=CC=NN2C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143387	1	41	-1.0	-43.56	335.82	4.50	-39.06
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143388	0	39	-1.0	-46.80	330.10	3.63	-43.17
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143388	1	39	-1.0	-46.78	330.04	3.61	-43.17
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143389	0	45	-1.0	-45.12	348.91	1.44	-43.68
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143389	1	45	-1.0	-45.12	348.85	1.41	-43.71
CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020143390	0	36	-1.0	-47.91	307.56	5.58	-42.33
CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020143390	1	36	-1.0	-47.94	307.61	5.61	-42.33
O=C(C1CCC2CCCCC2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143391	0	49	-1.0	-45.78	356.37	7.13	-38.65
O=C(C1CCC2CCCCC2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143391	1	49	-1.0	-45.77	356.43	7.16	-38.61
O=C(C1=CC=C(Cl)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143392	0	33	-1.0	-42.04	293.05	5.01	-37.03
O=C(C1=CC=C(Cl)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143392	1	33	-1.0	-42.02	293.11	5.03	-36.99
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143393	0	49	-1.0	-45.03	378.41	2.98	-42.05
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143393	1	49	-1.0	-44.95	378.47	3.00	-41.95
O=C(CCCC1=CC(F)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143394	0	42	-1.0	-49.10	349.43	7.12	-41.98
O=C(CCCC1=CC(F)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143394	1	42	-1.0	-49.13	349.49	7.14	-41.99
COC1=CC=C(CC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143395	0	46	-1.0	-37.68	360.96	5.88	-31.80
COC1=CC=C(CC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143395	1	46	-1.0	-37.69	361.02	5.90	-31.79
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143396	0	47	-1.0	-51.62	381.28	6.43	-45.19
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143396	1	47	-1.0	-51.59	381.34	6.45	-45.14
CC(C)(C)SCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143397	0	45	-1.0	-49.07	357.23	6.44	-42.63
CC(C)(C)SCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143397	1	45	-1.0	-49.06	357.28	6.47	-42.59
CC(C)CC1=CC=C(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143398	0	54	-1.0	-48.12	418.72	9.71	-38.41
CC(C)CC1=CC=C(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143398	1	54	-1.0	-48.14	418.77	9.74	-38.40
CC1=NOC(C)=C1C(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143399	0	44	-1.0	-45.66	341.04	5.29	-40.37
CC1=NOC(C)=C1C(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143399	1	44	-1.0	-45.64	341.09	5.32	-40.32
CC(C)(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020143400	0	48	-1.0	-48.46	363.60	7.60	-40.86
CC(C)(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020143400	1	48	-1.0	-48.49	363.66	7.62	-40.87
COC1=CC=C(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020143401	0	50	-1.0	-51.22	395.36	5.67	-45.55
COC1=CC=C(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020143401	1	50	-1.0	-51.21	395.42	5.70	-45.51
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143402	0	42	-1.0	-55.48	352.08	2.83	-52.65
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143402	1	42	-1.0	-55.47	352.14	2.86	-52.61
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143403	0	41	-1.0	-50.05	340.13	0.33	-49.72
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143403	1	41	-1.0	-50.09	340.19	0.36	-49.73
CC1=NNC(C)=C1C(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143404	0	45	-1.0	-46.57	343.39	4.03	-42.54
CC1=NNC(C)=C1C(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143404	1	45	-1.0	-46.57	343.44	4.06	-42.51
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143405	0	43	-1.0	-43.83	338.83	5.23	-38.60
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143405	1	43	-1.0	-43.86	338.77	5.20	-38.66
O=C(C1CCCN(CC(F)(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143406	0	44	-1.0	-47.94	339.15	3.01	-44.93
O=C(C1CCCN(CC(F)(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143406	1	44	-1.0	-47.98	339.21	3.04	-44.94
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143407	0	39	-1.0	-59.53	322.97	4.37	-55.16
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143407	1	39	-1.0	-59.54	322.91	4.34	-55.20
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143408	0	45	-1.0	-46.44	356.82	4.51	-41.93
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143408	1	45	-1.0	-46.46	356.88	4.53	-41.93
CCC(C)N1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020143409	0	49	-1.0	-45.17	374.14	6.15	-39.02
CCC(C)N1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020143409	1	49	-1.0	-45.18	374.20	6.18	-39.00
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143410	0	46	-1.0	-45.64	391.95	6.01	-39.63
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143410	1	46	-1.0	-45.66	392.00	6.03	-39.63
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1CCCC1	REAL300020143411	0	46	-1.0	-45.78	357.10	5.58	-40.20
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1CCCC1	REAL300020143411	1	46	-1.0	-45.77	357.16	5.60	-40.17
CCC1=CSC(N2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=N2)=N1	REAL300020143412	0	42	-1.0	-48.29	359.48	5.17	-43.12
CCC1=CSC(N2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=N2)=N1	REAL300020143412	1	42	-1.0	-48.24	359.42	5.14	-43.10
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143413	0	39	-1.0	-67.35	323.84	5.82	-61.53
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143413	1	39	-1.0	-67.38	323.90	5.84	-61.54
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143414	0	59	-1.0	-48.57	424.14	6.09	-42.48
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143414	1	59	-1.0	-48.56	424.19	6.12	-42.44
O=C(C(C1=CC=CC=C1)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143415	0	43	-1.0	-46.83	341.07	7.28	-39.55
O=C(C(C1=CC=CC=C1)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143415	1	43	-1.0	-46.84	341.12	7.30	-39.54
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=C(F)C=CC=C1F	REAL300020143416	0	39	-1.0	-46.64	314.82	5.79	-40.85
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=C(F)C=CC=C1F	REAL300020143416	1	39	-1.0	-46.65	314.87	5.81	-40.84
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020143417	0	45	-1.0	-47.09	354.78	7.06	-40.03
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020143417	1	45	-1.0	-47.10	354.84	7.09	-40.01
N#CCOC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143418	0	41	-1.0	-53.64	345.38	5.44	-48.20
N#CCOC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143418	1	41	-1.0	-53.62	345.44	5.47	-48.15
CC1=CC=C(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)N1C	REAL300020143419	0	43	-1.0	-47.65	356.34	5.72	-41.93
CC1=CC=C(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)N1C	REAL300020143419	1	43	-1.0	-47.62	356.29	5.69	-41.93
CN1C(=O)CCC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020143420	0	44	-1.0	-48.16	347.15	5.35	-42.81
CN1C(=O)CCC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020143420	1	44	-1.0	-48.14	347.21	5.37	-42.77
CC1=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C	REAL300020143421	0	42	-1.0	-48.55	336.63	4.45	-44.10
CC1=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C	REAL300020143421	1	42	-1.0	-48.56	336.69	4.47	-44.09
COC1CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020143422	0	46	-1.0	-46.51	344.88	4.87	-41.64
COC1CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020143422	1	46	-1.0	-46.48	344.94	4.89	-41.59
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CCOC1CCCCO1	REAL300020143423	0	54	-1.0	-46.76	421.79	4.97	-41.79
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CCOC1CCCCO1	REAL300020143423	1	54	-1.0	-46.73	421.85	5.00	-41.73
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143424	0	38	-1.0	-44.84	317.62	4.90	-39.94
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143424	1	38	-1.0	-44.83	317.56	4.88	-39.95
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143425	0	39	-1.0	-50.96	332.50	2.44	-48.52
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143425	1	39	-1.0	-50.91	332.45	2.42	-48.49
O=C(CCC1=CC(Br)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143426	0	39	-1.0	-45.71	342.85	6.91	-38.80
O=C(CCC1=CC(Br)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143426	1	39	-1.0	-45.71	342.91	6.93	-38.78
CCC(CC)N1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020143427	0	48	-1.0	-44.94	372.83	6.38	-38.56
CCC(CC)N1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020143427	1	48	-1.0	-44.93	372.89	6.40	-38.53
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1CCCCC1	REAL300020143428	0	49	-1.0	-47.40	375.93	6.73	-40.67
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1CCCCC1	REAL300020143428	1	49	-1.0	-47.44	375.98	6.76	-40.68
CC(CC1=CC=CC=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143429	0	42	-1.0	-45.23	345.32	6.99	-38.24
CC(CC1=CC=CC=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143429	1	42	-1.0	-45.25	345.38	7.01	-38.24
CC1=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C	REAL300020143430	0	40	-1.0	-49.95	325.30	4.23	-45.72
CC1=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C	REAL300020143430	1	40	-1.0	-49.94	325.36	4.25	-45.69
O=C(CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020143431	0	44	-1.0	-55.06	389.69	7.84	-47.22
O=C(CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020143431	1	44	-1.0	-55.07	389.75	7.87	-47.20
O=C(C1=CC=CN=C1OCC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143432	0	39	-1.0	-57.29	332.05	2.72	-54.57
O=C(C1=CC=CN=C1OCC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143432	1	39	-1.0	-57.31	331.99	2.70	-54.61
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143433	0	44	-1.0	-50.75	358.66	5.97	-44.78
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143433	1	44	-1.0	-50.72	358.72	6.00	-44.72
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC=C1F	REAL300020143434	0	36	-1.0	-44.05	306.20	5.41	-38.64
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC=C1F	REAL300020143434	1	36	-1.0	-44.09	306.26	5.43	-38.66
COCC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020143435	0	39	-1.0	-40.28	329.66	1.97	-38.31
COCC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020143435	1	39	-1.0	-40.30	329.72	2.00	-38.30
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(C2=CC(C)=CC=C2)=N1	REAL300020143436	0	46	-1.0	-45.53	370.22	6.62	-38.91
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(C2=CC(C)=CC=C2)=N1	REAL300020143436	1	46	-1.0	-45.52	370.28	6.65	-38.87
CC(C)(C)S(=O)(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143437	0	41	-1.0	-62.59	331.46	1.50	-61.09
CC(C)(C)S(=O)(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143437	1	41	-1.0	-62.60	331.52	1.53	-61.07
COC1=CC=CC=C1SCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143438	0	41	-1.0	-51.59	341.89	5.30	-46.29
COC1=CC=CC=C1SCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143438	1	41	-1.0	-51.61	341.95	5.32	-46.29
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143439	0	42	-1.0	-45.13	348.20	7.09	-38.04
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143439	1	42	-1.0	-45.14	348.26	7.12	-38.02
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143440	0	39	-1.0	-40.60	332.43	2.45	-38.15
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143440	1	39	-1.0	-40.58	332.37	2.42	-38.16
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=NC=C1	REAL300020143441	0	42	-1.0	-45.96	341.83	4.28	-41.68
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=NC=C1	REAL300020143441	1	42	-1.0	-45.94	341.89	4.30	-41.64
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143442	0	43	-1.0	-49.25	355.36	6.57	-42.68
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143442	1	43	-1.0	-49.25	355.42	6.59	-42.66
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143443	0	45	-1.0	-51.39	375.97	5.47	-45.92
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143443	1	45	-1.0	-51.38	376.03	5.50	-45.88
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020143444	0	42	-1.0	-47.02	337.43	6.56	-40.46
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020143444	1	42	-1.0	-47.02	337.48	6.58	-40.44
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020143445	0	42	-1.0	-51.65	342.11	6.56	-45.09
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020143445	1	42	-1.0	-51.67	342.17	6.59	-45.08
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143446	0	45	-1.0	-59.14	376.84	3.85	-55.29
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143446	1	45	-1.0	-59.16	376.90	3.87	-55.29
CCSC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143447	0	40	-1.0	-38.26	346.84	6.76	-31.50
CCSC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143447	1	40	-1.0	-38.26	346.89	6.78	-31.48
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCC(C)CC1	REAL300020143448	0	51	-1.0	-46.73	364.77	7.05	-39.68
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCC(C)CC1	REAL300020143448	1	51	-1.0	-46.76	364.83	7.08	-39.68
CC(C)CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1=O	REAL300020143449	0	46	-1.0	-42.72	363.26	4.40	-38.32
CC(C)CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1=O	REAL300020143449	1	46	-1.0	-42.71	363.32	4.43	-38.28
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C2NC(=O)CCC2=C1	REAL300020143450	0	49	-1.0	-48.60	395.95	5.27	-43.33
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C2NC(=O)CCC2=C1	REAL300020143450	1	49	-1.0	-48.61	396.01	5.30	-43.31
CC1=CC(C)=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143451	0	39	-1.0	-46.89	329.95	6.27	-40.62
CC1=CC(C)=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143451	1	39	-1.0	-46.87	330.01	6.29	-40.58
COCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020143452	0	47	-1.0	-47.78	376.15	5.19	-42.59
COCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020143452	1	47	-1.0	-47.71	376.20	5.22	-42.49
CNC1=NN=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020143453	0	36	-1.0	-53.11	312.51	1.69	-51.42
CNC1=NN=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020143453	1	36	-1.0	-53.08	312.57	1.71	-51.37
CCC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020143454	0	40	-1.0	-40.68	329.50	5.73	-34.95
CCC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020143454	1	40	-1.0	-40.66	329.56	5.75	-34.91
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143455	0	40	-1.0	-47.56	341.05	6.94	-40.62
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143455	1	40	-1.0	-47.54	341.11	6.97	-40.57
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143456	0	37	-1.0	-46.78	322.48	6.14	-40.64
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143456	1	37	-1.0	-46.79	322.54	6.16	-40.63
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1Cl	REAL300020143457	0	36	-1.0	-44.78	310.60	3.26	-41.52
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1Cl	REAL300020143457	1	36	-1.0	-44.79	310.54	3.23	-41.56
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020143458	0	44	-1.0	-52.56	346.18	6.44	-46.12
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020143458	1	44	-1.0	-52.54	346.24	6.47	-46.07
CC(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020143459	0	39	-1.0	-37.94	322.17	5.56	-32.38
CC(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020143459	1	39	-1.0	-37.93	322.23	5.58	-32.35
O=C(C1=CC=C(I)C(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143460	0	34	-1.0	-44.47	307.60	2.72	-41.75
O=C(C1=CC=C(I)C(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143460	1	34	-1.0	-44.49	307.66	2.75	-41.74
O=C(C1=CC=C(I)C([O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143460	1	33	-2.0	-81.81	304.60	3.50	-78.31
O=C(C1=CC=C(I)C([O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143460	1	33	-2.0	-81.80	304.66	3.52	-78.28
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143461	0	47	-1.0	-47.89	370.58	7.55	-40.34
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143461	1	47	-1.0	-47.90	370.64	7.58	-40.32
O=C(C1=C(F)C=CC=C1SC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143462	0	44	-1.0	-49.97	375.89	8.53	-41.44
O=C(C1=C(F)C=CC=C1SC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143462	1	44	-1.0	-49.96	375.95	8.56	-41.40
COC1=CC=CC=C1C(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143463	0	39	-1.0	-44.03	324.01	5.01	-39.02
COC1=CC=CC=C1C(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143463	1	39	-1.0	-44.03	324.07	5.03	-39.00
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143464	0	40	-1.0	-39.51	338.23	6.23	-33.28
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143464	1	40	-1.0	-39.56	338.17	6.21	-33.35
CC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020143465	0	40	-1.0	-42.51	325.58	3.59	-38.92
CC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020143465	1	40	-1.0	-42.49	325.63	3.62	-38.87
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020143472	0	47	-1.0	-46.09	357.81	6.06	-40.03
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020143472	1	47	-1.0	-46.10	357.87	6.09	-40.01
CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020143475	0	49	-1.0	-50.93	397.97	5.91	-45.02
CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020143475	1	49	-1.0	-50.92	398.02	5.93	-44.99
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020143475	1	50	0.0	-68.94	401.15	6.38	-62.56
C=CCOC1=CC(OC)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143485	0	45	-1.0	-41.37	363.66	4.81	-36.56
C=CCOC1=CC(OC)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143485	1	45	-1.0	-41.40	363.72	4.84	-36.56
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020143486	0	52	-1.0	-48.27	413.43	3.04	-45.23
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020143486	1	52	-1.0	-48.31	413.49	3.06	-45.25
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143487	0	43	-1.0	-47.97	363.76	5.79	-42.18
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143487	1	43	-1.0	-47.99	363.82	5.82	-42.17
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143488	0	47	-1.0	-46.26	390.71	6.51	-39.75
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143488	1	47	-1.0	-46.24	390.77	6.54	-39.70
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143489	0	44	-1.0	-48.33	354.27	1.73	-46.60
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143489	1	44	-1.0	-48.34	354.21	1.71	-46.63
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143490	0	45	-1.0	-49.38	376.30	8.03	-41.35
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143490	1	45	-1.0	-49.38	376.36	8.05	-41.33
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300020143491	0	37	-1.0	-44.29	314.67	1.70	-42.59
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300020143491	1	37	-1.0	-44.27	314.61	1.68	-42.59
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143492	0	53	-1.0	-54.83	401.58	8.57	-46.26
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143492	1	53	-1.0	-54.82	401.64	8.60	-46.22
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NN=C1C1=CC=CC=C1	REAL300020143493	0	43	-1.0	-43.93	346.57	5.38	-38.55
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NN=C1C1=CC=CC=C1	REAL300020143493	1	43	-1.0	-43.92	346.62	5.41	-38.51
CC1=C(C2=CC=CC=C2)NN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143493	1	43	-1.0	-41.77	345.20	5.55	-36.22
N#CC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143494	0	41	-1.0	-46.23	349.84	3.61	-42.62
N#CC1=CC=C(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143494	1	41	-1.0	-46.18	349.90	3.64	-42.54
CC1=CC(C)=NC(=O)N1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143495	0	41	-1.0	-63.26	332.61	2.87	-60.39
CC1=CC(C)=NC(=O)N1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143495	1	41	-1.0	-63.22	332.67	2.89	-60.33
CC1=C(Br)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020143496	0	36	-1.0	-46.53	318.12	2.62	-43.91
CC1=C(Br)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020143496	1	36	-1.0	-46.52	318.18	2.65	-43.87
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143497	0	41	-2.0	-85.31	332.55	0.97	-84.34
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143497	1	41	-2.0	-85.30	332.61	0.99	-84.31
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143498	0	47	-1.0	-55.04	392.31	2.46	-52.58
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143498	1	47	-1.0	-55.01	392.37	2.49	-52.52
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(C2CC2)=N1	REAL300020143499	0	39	-1.0	-39.02	317.71	2.60	-36.42
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(C2CC2)=N1	REAL300020143499	1	39	-1.0	-39.01	317.77	2.63	-36.38
O=C(C1=CC=CC(I)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143500	0	33	-2.0	-99.83	304.18	3.84	-95.99
O=C(C1=CC=CC(I)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143500	1	33	-2.0	-99.81	304.24	3.86	-95.95
O=C(C1=CC=CC(I)=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143500	1	34	-1.0	-48.20	307.73	2.99	-45.21
O=C(C1=CC=CC(I)=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143500	1	34	-1.0	-48.19	307.78	3.02	-45.17
O=C(C1=CC(Cl)=CC=C1SC1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143501	0	47	-1.0	-47.20	386.62	8.56	-38.64
O=C(C1=CC(Cl)=CC=C1SC1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143501	1	47	-1.0	-47.18	386.68	8.59	-38.59
O=C(CC1=CC=C2COCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143502	0	41	-1.0	-49.39	330.64	4.73	-44.66
O=C(CC1=CC=C2COCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143502	1	41	-1.0	-49.35	330.70	4.76	-44.59
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020143503	0	35	-1.0	-42.36	303.10	4.49	-37.87
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020143503	1	35	-1.0	-42.39	303.16	4.51	-37.88
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143504	0	44	-1.0	-55.49	371.27	1.61	-53.88
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143504	1	44	-1.0	-55.45	371.33	1.63	-53.82
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143505	0	40	-1.0	-47.30	350.29	7.25	-40.05
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143505	1	40	-1.0	-47.25	350.34	7.27	-39.98
CC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1C	REAL300020143506	0	40	-1.0	-45.83	323.17	2.57	-43.26
CC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1C	REAL300020143506	1	40	-1.0	-45.83	323.23	2.59	-43.24
CC1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143507	0	36	-1.0	-45.43	312.61	5.69	-39.74
CC1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143507	1	36	-1.0	-45.43	312.67	5.72	-39.71
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020143508	0	41	-1.0	-45.14	340.64	6.49	-38.65
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020143508	1	41	-1.0	-45.20	340.70	6.51	-38.69
CN1N=NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020143509	0	38	-1.0	-47.16	313.74	3.05	-44.11
CN1N=NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020143509	1	38	-1.0	-47.18	313.69	3.02	-44.16
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143510	0	43	-1.0	-52.63	348.69	7.10	-45.53
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143510	1	43	-1.0	-52.61	348.63	7.08	-45.53
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143511	0	44	-1.0	-39.50	367.48	7.02	-32.48
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143511	1	44	-1.0	-39.55	367.54	7.04	-32.51
COC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2)C=C1OC	REAL300020143512	0	51	-1.0	-48.57	388.33	5.82	-42.75
COC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2)C=C1OC	REAL300020143512	1	51	-1.0	-48.57	388.39	5.84	-42.73
CC1(C)CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCO1	REAL300020143513	0	46	-1.0	-46.24	340.27	4.49	-41.75
CC1(C)CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCO1	REAL300020143513	1	46	-1.0	-46.23	340.32	4.51	-41.72
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143514	0	41	-1.0	-49.62	347.25	5.81	-43.81
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143514	1	41	-1.0	-49.57	347.31	5.83	-43.74
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143515	0	46	-1.0	-46.75	389.83	8.34	-38.41
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143515	1	46	-1.0	-46.74	389.89	8.37	-38.37
CCC(CC)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(OC)C(OC)=C1	REAL300020143516	0	56	-1.0	-52.17	406.13	5.96	-46.21
CCC(CC)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(OC)C(OC)=C1	REAL300020143516	1	56	-1.0	-52.11	406.19	5.99	-46.12
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143517	0	54	-1.0	-56.24	409.50	7.22	-49.02
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143517	1	54	-1.0	-56.23	409.56	7.25	-48.98
CC1CCN(C(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020143518	0	43	-1.0	-45.46	335.06	3.66	-41.80
CC1CCN(C(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020143518	1	43	-1.0	-45.46	335.12	3.68	-41.78
CC1CCCN(C(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143519	0	43	-1.0	-41.32	326.40	3.49	-37.83
CC1CCCN(C(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143519	1	43	-1.0	-41.32	326.46	3.51	-37.81
O=C(C1=COC(C2CCOCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143520	0	43	-1.0	-40.74	342.97	1.90	-38.84
O=C(C1=COC(C2CCOCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143520	1	43	-1.0	-40.79	343.03	1.92	-38.87
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143521	0	44	-2.0	-106.03	370.49	1.51	-104.52
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143521	1	44	-2.0	-106.00	370.55	1.53	-104.47
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143521	1	45	-1.0	-50.09	376.55	-0.13	-50.22
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143521	1	45	-1.0	-50.14	376.61	-0.10	-50.24
CNC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020143522	0	40	-1.0	-48.80	325.58	4.38	-44.42
CNC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020143522	1	40	-1.0	-48.78	325.64	4.40	-44.38
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143523	0	46	-1.0	-37.88	363.67	4.34	-33.54
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143523	1	46	-1.0	-37.85	363.61	4.31	-33.54
O=C(C1=CC(Cl)=CC=C1SC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143524	0	44	-1.0	-39.14	377.67	8.89	-30.25
O=C(C1=CC(Cl)=CC=C1SC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143524	1	44	-1.0	-39.15	377.73	8.92	-30.23
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020143525	0	50	-1.0	-47.85	389.65	3.28	-44.57
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020143525	1	50	-1.0	-47.85	389.70	3.31	-44.54
NC(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020143526	0	36	-1.0	-45.85	299.45	0.36	-45.49
NC(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020143526	1	36	-1.0	-45.81	299.39	0.34	-45.47
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143527	0	44	-1.0	-52.34	371.10	8.48	-43.86
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143527	1	44	-1.0	-52.34	371.16	8.51	-43.83
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143528	0	56	-1.0	-40.32	391.65	5.96	-34.36
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143528	1	56	-1.0	-40.30	391.71	5.96	-34.34
O=C(C1=C(C2CCCC2)N=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143529	0	42	-1.0	-38.05	338.34	4.88	-33.17
O=C(C1=C(C2CCCC2)N=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143529	1	42	-1.0	-38.06	338.40	4.90	-33.16
COC1=CC=C(C(=O)CCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143530	0	51	-1.0	-49.65	408.61	6.96	-42.69
COC1=CC=C(C(=O)CCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143530	1	51	-1.0	-49.69	408.67	6.99	-42.70
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C2=CC=CC=C2)O1	REAL300020143531	0	42	-1.0	-48.14	346.78	3.43	-44.71
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C2=CC=CC=C2)O1	REAL300020143531	1	42	-1.0	-48.14	346.84	3.45	-44.69
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143532	0	49	-1.0	-56.70	401.47	7.15	-49.55
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143532	1	49	-1.0	-56.70	401.52	7.18	-49.52
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143533	0	48	-1.0	-56.91	394.20	4.45	-52.46
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143533	1	48	-1.0	-56.92	394.26	4.48	-52.44
CC1=CC(Cl)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020143534	0	39	-1.0	-47.44	323.82	6.10	-41.34
CC1=CC(Cl)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020143534	1	39	-1.0	-47.46	323.88	6.13	-41.33
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143535	0	38	-1.0	-45.21	318.86	5.16	-40.05
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143535	1	38	-1.0	-45.29	318.92	5.18	-40.11
CC(C)C1CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCO1	REAL300020143536	0	49	-1.0	-45.57	357.94	5.23	-40.34
CC(C)C1CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCO1	REAL300020143536	1	49	-1.0	-45.56	358.00	5.26	-40.30
CC1=C(C(=O)NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CO1	REAL300020143537	0	40	-1.0	-45.87	330.71	2.00	-43.87
CC1=C(C(=O)NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CO1	REAL300020143537	1	40	-1.0	-45.89	330.77	2.02	-43.87
O=C(CSC1=NN=C2C=CC=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143538	0	39	-1.0	-51.46	338.55	6.49	-44.97
O=C(CSC1=NN=C2C=CC=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143538	1	39	-1.0	-51.43	338.50	6.46	-44.97
CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)O1	REAL300020143539	0	40	-1.0	-40.11	344.82	6.17	-33.94
CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)O1	REAL300020143539	1	40	-1.0	-40.13	344.88	6.20	-33.93
CCC1=NN=C(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143540	0	40	-1.0	-44.22	319.76	3.48	-40.74
CCC1=NN=C(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143540	1	40	-1.0	-44.19	319.82	3.51	-40.68
CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N=N1	REAL300020143541	0	40	-1.0	-44.33	320.63	3.59	-40.74
CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N=N1	REAL300020143541	1	40	-1.0	-44.32	320.69	3.62	-40.70
CC1(CN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=N2)COC1	REAL300020143543	0	43	-1.0	-48.67	342.88	2.06	-46.61
CC1(CN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=N2)COC1	REAL300020143543	1	43	-1.0	-48.65	342.83	2.04	-46.61
N#CC1CC2(C1)CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020143544	0	41	-1.0	-51.95	330.33	5.92	-46.03
N#CC1CC2(C1)CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020143544	1	41	-1.0	-51.94	330.38	5.94	-46.00
COC1=CC2=C(C=C1C(=O)N1CCCC(C3=N[N-]N=N3)C1)OCO2	REAL300020143545	0	40	-1.0	-48.30	326.57	2.72	-45.58
COC1=CC2=C(C=C1C(=O)N1CCCC(C3=NN=N[N-]3)C1)OCO2	REAL300020143545	1	40	-1.0	-48.32	326.63	2.75	-45.57
CCC1CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCO1	REAL300020143546	0	46	-1.0	-46.28	347.47	4.92	-41.36
CCC1CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCO1	REAL300020143546	1	46	-1.0	-46.27	347.52	4.94	-41.33
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1N1C=NN=N1	REAL300020143547	0	42	-1.0	-50.90	345.34	4.18	-46.72
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1N1C=NN=N1	REAL300020143547	1	42	-1.0	-50.86	345.28	4.15	-46.71
CN1CCC2=NC3=CC=CC=C3C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020143548	0	50	-1.0	-45.68	385.95	4.09	-41.59
CN1CCC2=NC3=CC=CC=C3C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020143548	1	50	-1.0	-45.66	386.00	4.11	-41.55
CC(C)(C)C(Br)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143549	0	38	-1.0	-44.52	303.13	4.53	-39.99
CC(C)(C)C(Br)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143549	1	38	-1.0	-44.53	303.19	4.56	-39.97
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143550	0	35	-2.0	-87.10	303.33	4.16	-82.94
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143550	1	35	-2.0	-87.07	303.39	4.19	-82.88
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1O	REAL300020143551	0	38	-1.0	-46.70	310.65	1.59	-45.11
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1O	REAL300020143551	1	38	-1.0	-46.74	310.71	1.62	-45.12
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143552	0	33	-2.0	-90.76	296.17	2.54	-88.22
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143552	1	33	-2.0	-90.74	296.23	2.57	-88.17
O=C(CCC1=CC=C(O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143553	0	40	-1.0	-46.73	327.12	3.41	-43.32
O=C(CCC1=CC=C(O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143553	1	40	-1.0	-46.77	327.18	3.43	-43.34
O=C(C1=CC=C(O)C(C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143554	0	44	-1.0	-47.43	359.56	5.35	-42.08
O=C(C1=CC=C(O)C(C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143554	1	44	-1.0	-47.47	359.62	5.37	-42.10
CCN1CCC2=NC3=CC=CC=C3C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020143555	0	53	-1.0	-45.79	403.34	4.80	-40.99
CCN1CCC2=NC3=CC=CC=C3C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020143555	1	53	-1.0	-45.75	403.40	4.82	-40.93
O=C(CC1=CC=C(O)C=C1)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143556	0	44	-1.0	-47.54	364.66	1.03	-46.51
O=C(CC1=CC=C(O)C=C1)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143556	1	44	-1.0	-47.49	364.72	1.06	-46.43
CC1=CC=C(C(=O)NCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(O)=C1	REAL300020143557	0	47	-1.0	-59.32	381.38	3.09	-56.23
CC1=CC=C(C(=O)NCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(O)=C1	REAL300020143557	1	47	-1.0	-59.33	381.43	3.11	-56.22
O=C(CCCC1=CC=C(O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143558	0	43	-1.0	-50.87	348.59	4.17	-46.70
O=C(CCCC1=CC=C(O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143558	1	43	-1.0	-50.87	348.65	4.20	-46.67
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143559	0	33	-2.0	-85.85	289.79	2.49	-83.36
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143559	1	33	-2.0	-85.85	289.84	2.52	-83.33
CCCCC(ON=C(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143560	0	48	-1.0	-49.15	374.72	6.64	-42.51
CCCCC(ON=C(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143560	1	48	-1.0	-49.09	374.78	6.67	-42.42
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143561	0	46	-1.0	-47.18	363.82	6.37	-40.81
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143561	1	46	-1.0	-47.11	363.76	6.34	-40.77
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1CCCCC1	REAL300020143562	0	49	-1.0	-45.26	375.67	6.11	-39.15
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1CCCCC1	REAL300020143562	1	49	-1.0	-45.29	375.73	6.14	-39.15
O=C(C1=CC(=O)NC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143563	0	33	-1.0	-39.76	296.03	1.91	-37.85
O=C(C1=CC(=O)NC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143563	1	33	-1.0	-39.80	296.08	1.93	-37.87
COC1=CC=C(CC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020143564	0	50	-1.0	-40.54	390.20	5.77	-34.77
COC1=CC=C(CC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020143564	1	50	-1.0	-40.55	390.25	5.80	-34.75
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020143565	0	56	-1.0	-52.12	405.10	6.80	-45.32
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020143565	1	56	-1.0	-52.11	405.16	6.83	-45.28
O=C(C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143566	0	43	-1.0	-64.27	354.35	6.15	-58.12
O=C(C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143566	1	43	-1.0	-64.27	354.41	6.18	-58.09
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1C(C)C	REAL300020143567	0	50	-1.0	-45.16	381.37	5.38	-39.78
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1C(C)C	REAL300020143567	1	50	-1.0	-45.17	381.43	5.40	-39.77
O=C(CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143568	0	43	-1.0	-51.36	363.80	7.33	-44.03
O=C(CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143568	1	43	-1.0	-51.38	363.85	7.36	-44.02
O=C(C1=CC2=NC=CN=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143569	0	36	-1.0	-49.38	301.70	1.88	-47.50
O=C(C1=CC2=NC=CN=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143569	1	36	-1.0	-49.42	301.64	1.86	-47.56
CN1C=NC(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020143570	0	42	-1.0	-51.10	348.66	6.57	-44.53
CN1C=NC(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020143570	1	42	-1.0	-51.11	348.61	6.54	-44.57
CC(O)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020143571	0	43	-1.0	-46.05	334.87	4.50	-41.55
CC(O)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020143571	1	43	-1.0	-46.03	334.93	4.53	-41.50
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020143572	0	33	-1.0	-45.02	294.04	2.69	-42.33
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020143572	1	33	-1.0	-45.05	293.98	2.67	-42.38
O=C(C1=CC2=C(C=N1)OCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143573	0	40	-1.0	-45.65	318.54	4.09	-41.56
O=C(C1=CC2=C(C=N1)OCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143573	1	40	-1.0	-45.66	318.59	4.11	-41.55
COC1=CC(Br)=CC=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143574	0	43	-1.0	-46.29	365.67	6.23	-40.06
COC1=CC(Br)=CC=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143574	1	43	-1.0	-46.29	365.73	6.25	-40.04
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143575	0	55	0.0	-73.25	425.62	9.94	-63.31
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143575	1	55	0.0	-74.70	423.86	9.88	-64.82
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143575	1	55	0.0	-73.24	425.67	9.97	-63.27
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143575	1	55	0.0	-74.71	423.92	9.91	-64.80
CC(C)(C)OC(=O)NC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020143576	0	53	-1.0	-53.05	402.57	5.54	-47.51
CC(C)(C)OC(=O)NC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020143576	1	53	-1.0	-53.05	402.63	5.57	-47.48
CN1C=C(C2=CC=C(F)C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020143577	0	43	-1.0	-54.43	356.84	5.82	-48.61
CN1C=C(C2=CC=C(F)C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020143577	1	43	-1.0	-54.43	356.78	5.79	-48.64
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1	REAL300020143578	0	37	-1.0	-55.24	317.13	5.10	-50.14
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020143578	1	37	-1.0	-55.19	317.18	5.12	-50.07
CC1=CC(Br)=C2OC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020143579	0	39	-1.0	-43.22	340.82	6.32	-36.90
CC1=CC(Br)=C2OC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020143579	1	39	-1.0	-43.17	340.88	6.35	-36.82
O=C(C1=CSC(C2=CC=C(F)C(F)=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143580	0	39	-1.0	-47.63	347.22	6.20	-41.43
O=C(C1=CSC(C2=CC=C(F)C(F)=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143580	1	39	-1.0	-47.65	347.16	6.18	-41.47
CC(C)(C)OC(=O)NCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143581	0	52	-1.0	-52.86	404.16	3.77	-49.09
CC(C)(C)OC(=O)NCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143581	1	52	-1.0	-52.84	404.22	3.79	-49.05
CC(C)CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143582	0	42	-1.0	-45.72	331.28	4.63	-41.09
CC(C)CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143582	1	42	-1.0	-45.70	331.22	4.60	-41.10
O=C(C1=C(C2=CC=CC(C(F)(F)F)=C2)OC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143583	0	42	-1.0	-51.38	369.15	3.92	-47.46
O=C(C1=C(C2=CC=CC(C(F)(F)F)=C2)OC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143583	1	42	-1.0	-51.38	369.09	3.90	-47.48
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(SC2=CC=CC=C2)=C1	REAL300020143584	0	47	-1.0	-51.20	385.92	9.09	-42.11
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(SC2=CC=CC=C2)=C1	REAL300020143584	1	47	-1.0	-51.23	385.98	9.11	-42.12
O=C(COCCNC(=O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143585	0	47	-1.0	-56.22	385.69	4.34	-51.88
O=C(COCCNC(=O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143585	1	47	-1.0	-56.17	385.75	4.36	-51.81
CCOC1=CC=C(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020143586	0	56	-1.0	-46.67	414.68	6.94	-39.73
CCOC1=CC=C(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020143586	1	56	-1.0	-46.67	414.74	6.96	-39.71
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(F)=C1	REAL300020143587	0	49	-1.0	-45.76	398.58	7.58	-38.18
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(F)=C1	REAL300020143587	1	49	-1.0	-45.81	398.64	7.61	-38.20
CC1=NN(C(C)(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143588	0	45	-1.0	-47.61	353.99	4.82	-42.79
CC1=NN(C(C)(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143588	1	45	-1.0	-47.62	354.04	4.85	-42.77
CC(C)OC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143589	0	41	-1.0	-38.66	333.74	1.96	-36.70
CC(C)OC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143589	1	41	-1.0	-38.63	333.68	1.94	-36.69
O=C(C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143590	0	39	-1.0	-49.61	335.65	5.47	-44.14
O=C(C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143590	1	39	-1.0	-49.61	335.71	5.50	-44.11
COCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020143591	0	43	-1.0	-47.77	349.31	2.74	-45.03
COCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020143591	1	43	-1.0	-47.78	349.36	2.76	-45.02
O=C(C1=CC=C(F)C(F)=C1)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143592	0	45	-1.0	-56.50	385.32	7.97	-48.53
O=C(C1=CC=C(F)C(F)=C1)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143592	1	45	-1.0	-56.52	385.38	7.99	-48.53
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143593	0	35	-2.0	-97.04	305.12	3.86	-93.18
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143593	1	35	-2.0	-97.01	305.18	3.89	-93.12
O=C(C1=CC=C(SC2=CC=C(Cl)C=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143594	0	41	-1.0	-42.65	368.77	7.51	-35.14
O=C(C1=CC=C(SC2=CC=C(Cl)C=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143594	1	41	-1.0	-42.65	368.82	7.54	-35.11
O=C(C1CCCCS1(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143595	0	39	-1.0	-62.01	311.97	1.70	-60.31
O=C(C1CCCCS1(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143595	1	39	-1.0	-62.00	312.03	1.72	-60.28
O=C(C1=CC=CC(Br)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143596	0	33	-1.0	-48.27	304.80	5.47	-42.80
O=C(C1=CC=CC(Br)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143596	1	33	-1.0	-48.26	304.85	5.50	-42.76
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020143597	0	49	-1.0	-44.90	398.53	7.58	-37.32
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020143597	1	49	-1.0	-44.93	398.59	7.60	-37.33
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)N2N=CN=C2N1C	REAL300020143598	0	45	-1.0	-45.35	351.82	7.60	-37.75
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)N2N=CN=C2N1C	REAL300020143598	1	45	-1.0	-45.34	351.76	7.58	-37.76
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N(C)CC(F)(F)F	REAL300020143599	0	40	-1.0	-49.07	313.94	2.19	-46.88
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N(C)CC(F)(F)F	REAL300020143599	1	40	-1.0	-49.06	313.99	2.22	-46.84
O=C(C1=CC(F)=CC2=NNN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143600	0	35	-1.0	-47.71	299.11	1.86	-45.85
O=C(C1=CC(F)=CC2=NNN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143600	1	35	-1.0	-47.69	299.16	1.89	-45.80
CCCCOC1=CC(OCCC)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143601	0	56	-1.0	-40.41	437.11	7.54	-32.87
CCCCOC1=CC(OCCC)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143601	1	56	-1.0	-40.42	437.17	7.56	-32.86
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC(C3=CC=CC=C3)(C1)C2	REAL300020143602	0	44	-1.0	-46.10	347.07	7.69	-38.41
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(C3=CC=CC=C3)(C1)C2	REAL300020143602	1	44	-1.0	-46.11	347.13	7.71	-38.40
CC(O)(CN1C(=O)C(C)(C)C2=CC=CC=C21)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143603	0	54	-1.0	-48.11	414.98	4.66	-43.45
CC(O)(CN1C(=O)C(C)(C)C2=CC=CC=C21)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143603	1	54	-1.0	-48.14	415.03	4.68	-43.46
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020143604	0	52	-1.0	-45.96	403.67	7.96	-38.00
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020143604	1	52	-1.0	-45.95	403.72	7.98	-37.97
O=C(C1=NN2CCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143605	0	38	-1.0	-42.86	306.01	1.91	-40.95
O=C(C1=NN2CCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143605	1	38	-1.0	-42.82	305.95	1.88	-40.94
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020143606	0	41	-1.0	-45.05	337.88	6.47	-38.58
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020143606	1	41	-1.0	-45.09	337.94	6.50	-38.59
COC1=CC=C2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020143607	0	44	-1.0	-52.94	345.56	5.68	-47.26
COC1=CC=C2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020143607	1	44	-1.0	-52.94	345.61	5.70	-47.24
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143608	0	42	-1.0	-38.59	358.63	3.47	-35.12
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143608	1	42	-1.0	-38.62	358.57	3.44	-35.18
O=C(C1=CC(Br)=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143609	0	33	-1.0	-43.61	304.72	5.20	-38.41
O=C(C1=CC(Br)=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143609	1	33	-1.0	-43.59	304.78	5.22	-38.37
COC(=O)C12CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CC1)C2	REAL300020143610	0	46	-1.0	-52.13	351.28	5.51	-46.62
COC(=O)C12CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CC1)C2	REAL300020143610	1	46	-1.0	-52.17	351.34	5.53	-46.64
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OCCC(C)C)=C1	REAL300020143611	0	53	-1.0	-40.81	411.32	6.33	-34.48
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OCCC(C)C)=C1	REAL300020143611	1	53	-1.0	-40.79	411.38	6.36	-34.43
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1Cl	REAL300020143612	0	49	-1.0	-48.39	380.13	7.37	-41.02
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1Cl	REAL300020143612	1	49	-1.0	-48.38	380.18	7.40	-40.98
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C(CC)CC	REAL300020143613	0	51	-1.0	-45.52	389.88	6.35	-39.17
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C(CC)CC	REAL300020143613	1	51	-1.0	-45.57	389.94	6.38	-39.19
N#CCCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020143614	0	47	-1.0	-48.31	389.27	6.95	-41.36
N#CCCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020143614	1	47	-1.0	-48.37	389.21	6.92	-41.45
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1(O)CCCC1	REAL300020143615	0	40	-1.0	-42.38	313.99	2.44	-39.94
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1(O)CCCC1	REAL300020143615	1	40	-1.0	-42.36	314.05	2.46	-39.90
CC(C)(COC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143616	0	46	-1.0	-43.87	385.53	6.82	-37.05
CC(C)(COC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143616	1	46	-1.0	-43.88	385.59	6.85	-37.03
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143617	0	38	-1.0	-43.83	341.16	7.12	-36.71
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143617	1	38	-1.0	-43.79	341.21	7.14	-36.65
CCN1C=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020143618	0	38	-1.0	-45.60	317.67	5.25	-40.35
CCN1C=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020143618	1	38	-1.0	-45.60	317.62	5.23	-40.37
CC1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020143619	0	33	-1.0	-37.46	294.93	4.56	-32.90
CC1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020143619	1	33	-1.0	-37.46	294.99	4.58	-32.88
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1CCOCC1	REAL300020143620	0	40	-1.0	-39.55	313.23	3.24	-36.31
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1CCOCC1	REAL300020143620	1	40	-1.0	-39.49	313.29	3.27	-36.22
COC1=CC(OC2CC2)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143621	0	45	-1.0	-50.14	359.91	4.98	-45.16
COC1=CC(OC2CC2)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143621	1	45	-1.0	-50.11	359.96	5.01	-45.10
O=C(C1=CC=C(C2CCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143622	0	43	-1.0	-45.52	335.62	7.01	-38.51
O=C(C1=CC=C(C2CCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143622	1	43	-1.0	-45.52	335.68	7.03	-38.49
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1C	REAL300020143623	0	52	-1.0	-46.84	404.06	8.37	-38.47
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1C	REAL300020143623	1	52	-1.0	-46.82	404.12	8.40	-38.42
CCCCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1CC	REAL300020143624	0	48	-1.0	-45.69	378.61	5.84	-39.85
CCCCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1CC	REAL300020143624	1	48	-1.0	-45.72	378.67	5.86	-39.86
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143625	0	38	-2.0	-78.11	317.37	1.21	-76.90
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143625	1	38	-2.0	-78.09	317.42	1.24	-76.85
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CCC(C)C	REAL300020143626	0	51	-1.0	-45.45	396.17	6.34	-39.11
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CCC(C)C	REAL300020143626	1	51	-1.0	-45.47	396.23	6.36	-39.11
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=NC=CS1	REAL300020143627	0	32	-1.0	-42.02	288.50	2.67	-39.35
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=NC=CS1	REAL300020143627	1	32	-1.0	-42.02	288.44	2.65	-39.37
CN1N=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143628	0	33	-1.0	-41.68	288.63	2.71	-38.97
CN1N=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143628	1	33	-1.0	-41.70	288.58	2.68	-39.02
O=C(C1=CC(F)=C(C(F)(F)F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143629	0	36	-1.0	-41.42	317.57	5.47	-35.95
O=C(C1=CC(F)=C(C(F)(F)F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143629	1	36	-1.0	-41.45	317.63	5.49	-35.96
CC(C)CC1=CC=C([C@H](C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143630	0	51	-1.0	-46.41	390.36	8.43	-37.98
CC(C)CC1=CC=C([C@H](C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143630	1	51	-1.0	-46.40	390.41	8.45	-37.95
O=C(CC1=CC=C2NC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143631	0	40	-1.0	-52.51	330.45	2.25	-50.26
O=C(CC1=CC=C2NC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143631	1	40	-1.0	-52.51	330.51	2.28	-50.23
O=C(C1=CC=CC(Br)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143632	0	33	-1.0	-50.62	297.31	5.10	-45.52
O=C(C1=CC=CC(Br)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143632	1	33	-1.0	-50.62	297.37	5.12	-45.50
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(Cl)S1	REAL300020143633	0	32	-1.0	-41.70	288.48	3.59	-38.11
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(Cl)S1	REAL300020143633	1	32	-1.0	-41.68	288.42	3.57	-38.11
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1(O)CCCCC1	REAL300020143634	0	43	-1.0	-38.39	326.26	3.77	-34.62
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1(O)CCCCC1	REAL300020143634	1	43	-1.0	-38.39	326.31	3.80	-34.59
CCCOC1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143635	0	42	-1.0	-44.57	337.76	5.34	-39.23
CCCOC1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143635	1	42	-1.0	-44.56	337.70	5.31	-39.25
COCCOC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143636	0	47	-1.0	-51.63	379.66	4.93	-46.70
COCCOC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143636	1	47	-1.0	-51.65	379.71	4.96	-46.69
CC(C)CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020143637	0	52	-1.0	-46.93	414.54	7.96	-38.97
CC(C)CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020143637	1	52	-1.0	-46.94	414.48	7.93	-39.01
CCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC(C)C)=C1	REAL300020143638	0	53	-1.0	-40.82	412.17	6.68	-34.14
CCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC(C)C)=C1	REAL300020143638	1	53	-1.0	-40.79	412.23	6.71	-34.08
CCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC2CCCC2)=C1	REAL300020143639	0	57	-1.0	-41.12	437.18	8.27	-32.85
CCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC2CCCC2)=C1	REAL300020143639	1	57	-1.0	-41.08	437.24	8.29	-32.79
CC(=O)NCC1CCN2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020143640	0	50	-1.0	-54.82	393.83	2.91	-51.91
CC(=O)NCC1CCN2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020143640	1	50	-1.0	-54.84	393.88	2.94	-51.90
O=C(C1=C(C2=CC=CC=C2)N(CCO)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143641	0	47	-1.0	-46.77	379.83	3.08	-43.69
O=C(C1=C(C2=CC=CC=C2)N(CCO)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143641	1	47	-1.0	-46.77	379.77	3.05	-43.72
C[NH+](C)C(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020143642	0	48	0.0	-74.69	360.00	7.18	-67.51
C[NH+](C)C(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020143642	1	48	0.0	-74.66	360.06	7.21	-67.45
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)S1	REAL300020143643	0	32	-1.0	-39.36	296.85	4.16	-35.20
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)S1	REAL300020143643	1	32	-1.0	-39.40	296.90	4.19	-35.21
COC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1F	REAL300020143644	0	43	-1.0	-48.61	327.90	4.83	-43.78
COC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1F	REAL300020143644	1	43	-1.0	-48.65	327.96	4.86	-43.79
CCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OCCC)=C1	REAL300020143645	0	53	-1.0	-40.41	415.61	6.74	-33.67
CCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OCCC)=C1	REAL300020143645	1	53	-1.0	-40.42	415.67	6.77	-33.65
O=C(C1=CN=C(OCC2=CC=CC=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143646	0	45	-1.0	-39.59	373.52	4.09	-35.50
O=C(C1=CN=C(OCC2=CC=CC=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143646	1	45	-1.0	-39.59	373.46	4.07	-35.52
CC1=C(Br)C=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143647	0	39	-1.0	-47.46	329.56	6.44	-41.02
CC1=C(Br)C=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143647	1	39	-1.0	-47.46	329.61	6.47	-40.99
CCC1=NN(C)C(CC)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143648	0	48	-1.0	-51.65	375.06	5.61	-46.04
CCC1=NN(C)C(CC)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143648	1	48	-1.0	-51.72	375.12	5.64	-46.08
CCOC1=C(Cl)C=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143649	0	43	-1.0	-46.34	358.46	6.25	-40.09
CCOC1=C(Cl)C=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143649	1	43	-1.0	-46.34	358.52	6.28	-40.06
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1Cl	REAL300020143650	0	46	-1.0	-47.18	382.83	7.44	-39.74
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1Cl	REAL300020143650	1	46	-1.0	-47.23	382.89	7.46	-39.77
O=C(C1=CC=C(C2=NNC=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143651	0	37	-1.0	-48.02	322.16	3.67	-44.35
O=C(C1=CC=C(C2=NNC=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143651	1	37	-1.0	-48.03	322.22	3.69	-44.34
CC1=CN2C=CN=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=N1	REAL300020143652	0	38	-1.0	-48.46	316.42	4.38	-44.08
CC1=CN2C=CN=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=N1	REAL300020143652	1	38	-1.0	-48.44	316.48	4.41	-44.03
O=C(C1=CC=NC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143653	0	35	-1.0	-47.69	299.91	3.66	-44.03
O=C(C1=CC=NC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143653	1	35	-1.0	-47.70	299.85	3.63	-44.07
C#CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020143654	0	55	-1.0	-58.66	407.80	6.74	-51.92
C#CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020143654	1	55	-1.0	-58.64	407.85	6.76	-51.88
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143655	0	52	0.0	-62.79	361.10	7.48	-55.31
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143655	1	52	0.0	-58.46	364.87	6.86	-51.60
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143655	1	52	0.0	-62.78	361.04	7.45	-55.33
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143655	1	52	0.0	-58.54	364.81	6.84	-51.70
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143656	0	40	-1.0	-48.81	334.21	6.21	-42.60
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143656	1	40	-1.0	-48.85	334.27	6.24	-42.61
O=C(CCOCC(F)(F)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143657	0	39	-1.0	-44.38	340.12	4.09	-40.29
O=C(CCOCC(F)(F)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143657	1	39	-1.0	-44.39	340.17	4.12	-40.27
COC1=CC=CC(C(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020143658	0	49	-1.0	-47.94	395.79	6.96	-40.98
COC1=CC=CC(C(=O)C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020143658	1	49	-1.0	-47.97	395.85	6.99	-40.98
O=C(C1=CC2=CC(Br)=CN=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143659	0	37	-1.0	-39.24	328.05	4.52	-34.72
O=C(C1=CC2=CC(Br)=CN=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143659	1	37	-1.0	-39.20	328.00	4.49	-34.71
CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(O)=C1	REAL300020143660	0	40	-1.0	-47.03	323.41	3.73	-43.30
CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(O)=C1	REAL300020143660	1	40	-1.0	-46.99	323.47	3.76	-43.23
O=C(C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143661	0	45	-1.0	-53.39	367.40	6.40	-46.99
O=C(C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143661	1	45	-1.0	-53.32	367.45	6.42	-46.90
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL300020143662	0	50	-1.0	-47.26	399.92	3.12	-44.14
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL300020143662	1	50	-1.0	-47.19	399.97	3.15	-44.04
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143663	0	54	-1.0	-48.28	412.99	6.18	-42.10
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143663	1	54	-1.0	-48.29	413.05	6.20	-42.09
O=C(C1=CNN=C1C1=CC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143664	0	43	-1.0	-57.89	359.34	5.66	-52.23
O=C(C1=CNN=C1C1=CC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143664	1	43	-1.0	-57.92	359.39	5.68	-52.24
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300020143665	0	43	-1.0	-45.16	369.11	7.56	-37.60
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300020143665	1	43	-1.0	-45.16	369.17	7.59	-37.57
O=C(C1C2CCC(O2)C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143666	0	41	-1.0	-44.58	307.33	3.12	-41.46
O=C(C1C2CCC(O2)C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143666	1	41	-1.0	-44.59	307.38	3.15	-41.44
CCC(=O)C1=CC=C(OCCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143667	0	54	-1.0	-50.75	430.44	7.91	-42.84
CCC(=O)C1=CC=C(OCCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143667	1	54	-1.0	-50.76	430.50	7.93	-42.83
O=C(C1=CN(CC(F)(F)F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143668	0	36	-1.0	-52.79	311.61	3.54	-49.25
O=C(C1=CN(CC(F)(F)F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143668	1	36	-1.0	-52.76	311.56	3.51	-49.25
CC(OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CC=C1	REAL300020143669	0	50	-1.0	-47.40	396.67	8.32	-39.08
CC(OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CC=C1	REAL300020143669	1	50	-1.0	-47.42	396.73	8.34	-39.08
CC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020143670	0	43	-1.0	-48.65	341.50	4.10	-44.55
CC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020143670	1	43	-1.0	-48.74	341.56	4.13	-44.61
CC(=O)NC1=CC=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143671	0	43	-1.0	-54.26	344.25	3.95	-50.31
CC(=O)NC1=CC=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143671	1	43	-1.0	-54.31	344.31	3.97	-50.34
CC(C)(C)OC(=O)NCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143672	0	55	-1.0	-50.40	425.67	4.56	-45.84
CC(C)(C)OC(=O)NCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143672	1	55	-1.0	-50.37	425.72	4.58	-45.79
CC(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020143673	0	42	-1.0	-45.77	343.69	6.76	-39.01
CC(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020143673	1	42	-1.0	-45.76	343.75	6.79	-38.97
C#CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020143674	0	44	-1.0	-49.81	323.62	5.90	-43.91
C#CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020143674	1	44	-1.0	-49.84	323.68	5.93	-43.91
O=C(C1=CC(N2CCNC(=O)C2)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143675	0	45	-1.0	-55.49	355.40	0.74	-54.75
O=C(C1=CC(N2CCNC(=O)C2)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143675	1	45	-1.0	-55.52	355.46	0.77	-54.75
CC1C(=O)CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020143676	0	47	-1.0	-49.58	335.89	5.39	-44.19
CC1C(=O)CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020143676	1	47	-1.0	-49.59	335.95	5.41	-44.18
CCCN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=CC=CC=C21	REAL300020143677	0	46	-1.0	-45.68	361.28	7.60	-38.08
CCCN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C21	REAL300020143677	1	46	-1.0	-45.69	361.34	7.62	-38.07
O=C(CC1CCC2(CC1)OCCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143678	0	48	-1.0	-48.23	360.03	4.61	-43.62
O=C(CC1CCC2(CC1)OCCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143678	1	48	-1.0	-48.21	360.09	4.64	-43.57
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020143679	0	43	-1.0	-47.90	358.08	7.31	-40.59
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020143679	1	43	-1.0	-47.80	358.14	7.33	-40.47
O=C(C1=CNN=C1C1=CSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143680	0	37	-1.0	-40.64	320.55	3.38	-37.26
O=C(C1=CNN=C1C1=CSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143680	1	37	-1.0	-40.61	320.61	3.41	-37.20
CC1=CC=C(C2=NNC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=C1C	REAL300020143681	0	46	-1.0	-40.00	366.86	6.05	-33.95
CC1=CC=C(C2=NNC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=C1C	REAL300020143681	1	46	-1.0	-39.99	366.92	6.07	-33.92
COC1C2CC3CC1CC(C(=O)N1CCCC(C4=N[N-]N=N4)C1)(C3)C2	REAL300020143682	0	51	-1.0	-45.12	355.81	5.22	-39.90
COC1C2CC3CC1CC(C(=O)N1CCCC(C4=NN=N[N-]4)C1)(C3)C2	REAL300020143682	1	51	-1.0	-45.14	355.86	5.24	-39.90
CN1C=C(C2=NN(C)C=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143683	0	43	-1.0	-56.07	357.94	3.63	-52.44
CN1C=C(C2=NN(C)C=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143683	1	43	-1.0	-56.11	357.88	3.61	-52.50
CC1=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C2=CC=CC=C2)O1	REAL300020143684	0	46	-1.0	-48.07	373.77	7.80	-40.27
CC1=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C2=CC=CC=C2)O1	REAL300020143684	1	46	-1.0	-48.05	373.83	7.83	-40.22
CCCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020143685	0	42	-1.0	-43.82	346.90	6.99	-36.83
CCCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020143685	1	42	-1.0	-43.82	346.96	7.02	-36.80
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300020143686	0	43	-1.0	-48.17	363.90	7.36	-40.81
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300020143686	1	43	-1.0	-48.19	363.96	7.38	-40.81
CCCCCC(C)(CC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143687	0	50	-1.0	-35.38	358.24	6.36	-29.02
CCCCCC(C)(CC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143687	1	50	-1.0	-35.38	358.30	6.39	-28.99
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143688	0	39	-1.0	-44.54	340.82	5.23	-39.31
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143688	1	39	-1.0	-44.51	340.76	5.21	-39.30
CN1C=C(C2=NNC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143689	0	40	-1.0	-55.39	334.81	2.28	-53.11
CN1C=C(C2=NNC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143689	1	40	-1.0	-55.38	334.86	2.31	-53.07
CC1=CC2=C(Br)C=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020143690	0	39	-1.0	-40.89	341.47	6.24	-34.65
CC1=CC2=C(Br)C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020143690	1	39	-1.0	-40.84	341.52	6.26	-34.58
O=C(C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CC(O)=C1	REAL300020143691	0	46	-1.0	-47.84	377.34	4.81	-43.03
O=C(C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CC(O)=C1	REAL300020143691	1	46	-1.0	-47.83	377.40	4.84	-42.99
O=C(C1=CNC(=O)C2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143692	0	39	-1.0	-47.39	323.79	3.69	-43.70
O=C(C1=CNC(=O)C2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143692	1	39	-1.0	-47.38	323.85	3.71	-43.67
COC1=CC=C(SCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143693	0	47	-1.0	-50.87	385.86	6.78	-44.09
COC1=CC=C(SCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143693	1	47	-1.0	-50.83	385.92	6.80	-44.03
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCS(=O)(=O)C1	REAL300020143694	0	44	-1.0	-55.69	348.14	-0.55	-56.24
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020143694	1	44	-1.0	-55.70	348.20	-0.53	-56.23
COC1=CC=CC(CC(O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143695	0	44	-1.0	-46.37	350.64	3.18	-43.19
COC1=CC=CC(CC(O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143695	1	44	-1.0	-46.34	350.69	3.20	-43.14
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143696	0	38	-1.0	-51.63	344.06	5.24	-46.39
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143696	1	38	-1.0	-51.67	344.12	5.27	-46.40
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143697	0	47	-1.0	-60.62	364.29	4.67	-55.95
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143697	1	47	-1.0	-60.61	364.35	4.70	-55.91
CC1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCN1C(=O)OC(C)(C)C	REAL300020143698	0	53	-1.0	-51.15	390.80	5.09	-46.06
CC1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCN1C(=O)OC(C)(C)C	REAL300020143698	1	53	-1.0	-51.20	390.85	5.11	-46.09
O=C(CC1=CC=C(Br)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143699	0	36	-1.0	-47.80	330.80	6.51	-41.29
O=C(CC1=CC=C(Br)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143699	1	36	-1.0	-47.79	330.86	6.53	-41.26
NC(=O)C1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143700	0	43	-1.0	-40.38	321.41	1.26	-39.12
NC(=O)C1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143700	1	43	-1.0	-40.38	321.47	1.29	-39.09
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143701	0	43	-1.0	-49.57	353.53	6.97	-42.60
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143701	1	43	-1.0	-49.57	353.48	6.94	-42.63
O=C(CCCC1=CC=C(O)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143702	0	43	-1.0	-52.46	354.85	4.26	-48.20
O=C(CCCC1=CC=C(O)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143702	1	43	-1.0	-52.45	354.91	4.29	-48.16
CC1=CC=C(Br)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143703	0	35	-1.0	-46.12	310.25	3.84	-42.28
CC1=CC=C(Br)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143703	1	35	-1.0	-46.11	310.19	3.81	-42.30
COC(=O)C1=CC(O)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143704	0	40	-1.0	-51.24	336.38	2.24	-49.00
COC(=O)C1=CC(O)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143704	1	40	-1.0	-51.22	336.43	2.27	-48.95
O=C(C1=NOC2=C1CCCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143705	0	42	-1.0	-42.55	320.76	5.48	-37.07
O=C(C1=NOC2=C1CCCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143705	1	42	-1.0	-42.56	320.81	5.51	-37.05
CC(=O)[C@@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020143706	0	44	-1.0	-54.82	331.74	5.21	-49.61
CC(=O)[C@@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020143706	1	44	-1.0	-54.86	331.80	5.24	-49.62
COC1=CC(C)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143707	0	40	-1.0	-41.47	320.91	4.63	-36.84
COC1=CC(C)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143707	1	40	-1.0	-41.52	320.97	4.66	-36.86
O=C(C1=CC(Cl)=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143708	0	32	-1.0	-42.28	297.48	3.61	-38.67
O=C(C1=CC(Cl)=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143708	1	32	-1.0	-42.25	297.43	3.58	-38.67
O=C(C1=NNN=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143709	0	39	-1.0	-39.86	318.32	3.54	-36.32
O=C(C1=NNN=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143709	1	39	-1.0	-39.91	318.38	3.56	-36.35
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N1C=NN=C1	REAL300020143710	0	39	-1.0	-51.23	327.90	5.98	-45.25
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N1C=NN=C1	REAL300020143710	1	39	-1.0	-51.24	327.84	5.95	-45.29
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2F)CC1	REAL300020143711	0	43	-1.0	-49.89	340.41	7.33	-42.56
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2F)CC1	REAL300020143711	1	43	-1.0	-49.82	340.46	7.35	-42.47
COC1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020143712	0	41	-1.0	-49.86	342.35	3.98	-45.88
COC1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020143712	1	41	-1.0	-49.89	342.41	4.01	-45.88
CC1=CC=CC=C1C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020143713	0	46	-1.0	-46.02	340.85	6.92	-39.10
CC1=CC=CC=C1C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020143713	1	46	-1.0	-46.01	340.91	6.95	-39.06
COC1=CC=C(OC)C(C2CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143714	0	48	-1.0	-50.08	379.91	5.40	-44.68
COC1=CC=C(OC)C(C2CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143714	1	48	-1.0	-50.09	379.97	5.42	-44.67
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020143715	0	36	-1.0	-43.93	315.73	2.57	-41.36
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN=C1Br	REAL300020143715	1	36	-1.0	-43.95	315.67	2.54	-41.41
COCCOC1=CC(OC)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143716	0	48	-1.0	-43.56	384.38	3.59	-39.97
COCCOC1=CC(OC)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143716	1	48	-1.0	-43.58	384.44	3.61	-39.97
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OCC2CC2)=C1	REAL300020143717	0	48	-1.0	-41.22	382.44	5.80	-35.42
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OCC2CC2)=C1	REAL300020143717	1	48	-1.0	-41.23	382.49	5.83	-35.40
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1F	REAL300020143718	0	42	-1.0	-54.73	338.81	6.27	-48.46
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1F	REAL300020143718	1	42	-1.0	-54.66	338.87	6.30	-48.36
COCCN1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143719	0	40	-1.0	-45.76	323.48	2.13	-43.63
COCCN1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143719	1	40	-1.0	-45.72	323.42	2.11	-43.61
O=C(C1=C(C2=CC=CC=C2)SC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143720	0	39	-1.0	-48.53	337.74	5.35	-43.18
O=C(C1=C(C2=CC=CC=C2)SC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143720	1	39	-1.0	-48.51	337.68	5.32	-43.19
CC(C)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC1=CC=C(Cl)C=C1	REAL300020143721	0	48	-1.0	-47.34	377.15	8.26	-39.08
CC(C)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1=CC=C(Cl)C=C1	REAL300020143721	1	48	-1.0	-47.32	377.21	8.29	-39.03
O=C(C1=CC=C(Cl)C=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143722	0	36	-1.0	-47.13	321.11	5.92	-41.21
O=C(C1=CC=C(Cl)C=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143722	1	36	-1.0	-47.13	321.16	5.94	-41.19
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020143723	0	39	-1.0	-39.72	331.26	5.16	-34.56
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020143723	1	39	-1.0	-39.68	331.31	5.19	-34.49
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143724	0	51	-1.0	-44.84	387.72	4.21	-40.63
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143724	1	51	-1.0	-44.87	387.77	4.23	-40.64
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020143725	0	44	-1.0	-49.53	367.22	4.59	-44.94
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020143725	1	44	-1.0	-49.52	367.16	4.57	-44.95
CC1=CC2=C(C=C1C)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CO2	REAL300020143726	0	44	-1.0	-47.93	341.16	5.47	-42.46
CC1=CC2=C(C=C1C)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CO2	REAL300020143726	1	44	-1.0	-47.91	341.22	5.49	-42.42
O=C(C1=CC=C(OC(F)F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143727	0	36	-1.0	-44.80	303.73	3.07	-41.73
O=C(C1=CC=C(OC(F)F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143727	1	36	-1.0	-44.78	303.68	3.04	-41.74
CC1=C(Br)SC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143728	0	33	-1.0	-35.85	299.69	4.78	-31.07
CC1=C(Br)SC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143728	1	33	-1.0	-35.85	299.75	4.81	-31.04
CCOC(=O)CON=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=NN1	REAL300020143729	0	46	-1.0	-38.14	381.75	3.91	-34.23
CCOC(=O)CON=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=NN1	REAL300020143729	1	46	-1.0	-38.14	381.81	3.94	-34.20
O=C(C1=CC(O)=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143730	0	37	-1.0	-50.59	314.65	2.51	-48.08
O=C(C1=CC(O)=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143730	1	37	-1.0	-50.62	314.71	2.54	-48.08
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300020143731	0	45	-1.0	-52.11	363.47	6.82	-45.29
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300020143731	1	45	-1.0	-52.09	363.42	6.79	-45.30
CC1CN(C2=CC=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)CC(C)O1	REAL300020143732	0	51	-1.0	-47.11	391.55	3.80	-43.31
CC1CN(C2=CC=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)CC(C)O1	REAL300020143732	1	51	-1.0	-47.14	391.60	3.83	-43.31
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(=O)NC1=O	REAL300020143733	0	37	-1.0	-42.77	315.52	-1.24	-44.01
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(=O)NC1=O	REAL300020143733	1	37	-1.0	-42.77	315.58	-1.21	-43.98
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(=O)[N-]C1=O	REAL300020143733	1	36	-2.0	-83.85	311.73	-3.08	-86.93
CC1=CC=C(N2C=NN=C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143734	0	42	-1.0	-56.10	345.01	8.26	-47.84
CC1=CC=C(N2C=NN=C2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143734	1	42	-1.0	-56.17	344.95	8.23	-47.94
O=C(CC1=C2CCCCC2=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143735	0	43	-1.0	-51.42	337.33	4.14	-47.28
O=C(CC1=C2CCCCC2=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143735	1	43	-1.0	-51.39	337.39	4.17	-47.22
O=C(C1=CN=C(Cl)C(C2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143736	0	39	-1.0	-42.20	328.32	5.01	-37.19
O=C(C1=CN=C(Cl)C(C2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143736	1	39	-1.0	-42.24	328.26	4.98	-37.26
CC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N=C1C	REAL300020143737	0	43	-1.0	-44.67	341.69	4.36	-40.31
CC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N=C1C	REAL300020143737	1	43	-1.0	-44.66	341.75	4.39	-40.27
O=C(C1=NN(CC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143738	0	43	-1.0	-49.48	353.96	6.70	-42.78
O=C(C1=NN(CC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143738	1	43	-1.0	-49.52	353.90	6.67	-42.85
COCCN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020143739	0	40	-1.0	-47.75	327.65	2.75	-45.00
COCCN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020143739	1	40	-1.0	-47.70	327.60	2.73	-44.97
CC(C)(C)OC(=O)NCC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143740	0	53	-1.0	-50.32	417.84	4.87	-45.45
CC(C)(C)OC(=O)NCC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143740	1	53	-1.0	-50.29	417.90	4.89	-45.40
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020143741	0	54	-1.0	-41.72	416.74	7.39	-34.33
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020143741	1	54	-1.0	-41.71	416.80	7.41	-34.30
C=CCSC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143742	0	41	-1.0	-40.72	342.91	6.81	-33.91
C=CCSC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143742	1	41	-1.0	-40.70	342.97	6.84	-33.86
O=C(C(O)C(O)C1=NC2=CC=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143743	0	44	-1.0	-40.64	355.48	0.21	-40.43
O=C(C(O)C(O)C1=NC2=CC=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143743	1	44	-1.0	-40.64	355.54	0.24	-40.40
CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020143744	0	39	-1.0	-47.88	334.20	6.64	-41.24
CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020143744	1	39	-1.0	-47.88	334.25	6.66	-41.22
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(F)C=C2)CC1	REAL300020143745	0	43	-1.0	-50.67	350.09	7.28	-43.39
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(F)C=C2)CC1	REAL300020143745	1	43	-1.0	-50.64	350.15	7.30	-43.34
O=C(CCCCN1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143746	0	48	-1.0	-47.80	366.03	2.51	-45.29
O=C(CCCCN1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143746	1	48	-1.0	-47.82	366.09	2.54	-45.28
O=C(CCCC[NH+]1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143746	1	49	0.0	-73.13	368.54	4.79	-68.34
O=C(CCCC[NH+]1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143746	1	49	0.0	-73.17	368.60	4.81	-68.36
CS(=O)C1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143747	0	41	-1.0	-56.68	336.22	4.68	-52.00
CS(=O)C1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143747	1	41	-1.0	-56.67	336.28	4.70	-51.97
CSC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020143748	0	39	-1.0	-63.82	334.57	6.78	-57.04
CSC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020143748	1	39	-1.0	-63.83	334.63	6.80	-57.03
CC(=O)CCC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143749	0	48	-1.0	-53.80	391.21	7.50	-46.30
CC(=O)CCC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143749	1	48	-1.0	-53.79	391.26	7.52	-46.27
COC1=CC=C(OC)C(NC(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143750	0	45	-1.0	-43.94	362.77	1.57	-42.37
COC1=CC=C(OC)C(NC(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143750	1	45	-1.0	-43.87	362.83	1.60	-42.27
O=C(C1=CC=C(C(F)(F)F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143751	0	36	-1.0	-44.78	314.71	5.50	-39.28
O=C(C1=CC=C(C(F)(F)F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143751	1	36	-1.0	-44.77	314.77	5.53	-39.24
CC(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020143752	0	44	-1.0	-37.32	353.65	6.86	-30.46
CC(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020143752	1	44	-1.0	-37.32	353.70	6.89	-30.43
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2Cl)CC1	REAL300020143753	0	43	-1.0	-48.28	349.08	7.70	-40.58
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2Cl)CC1	REAL300020143753	1	43	-1.0	-48.25	349.14	7.72	-40.53
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300020143754	0	47	-1.0	-51.04	389.40	6.98	-44.06
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300020143754	1	47	-1.0	-51.03	389.45	7.01	-44.02
O=C(CC1=CC=C(Br)C=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143755	0	37	-1.0	-50.57	325.80	3.26	-47.31
O=C(CC1=CC=C(Br)C=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143755	1	37	-1.0	-50.61	325.86	3.29	-47.32
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143756	0	51	-1.0	-47.27	387.13	4.20	-43.07
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143756	1	51	-1.0	-47.31	387.20	4.21	-43.10
O=C(CC1=CC2=NNC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143757	0	39	-1.0	-55.59	320.95	4.16	-51.43
O=C(CC1=CC2=NNC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143757	1	39	-1.0	-55.62	321.01	4.19	-51.43
CC(O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143758	0	52	-1.0	-46.63	399.27	0.48	-46.15
CC(O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143758	1	52	-1.0	-46.64	399.33	0.50	-46.14
O=C(C1COCCN1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143759	0	49	-1.0	-44.95	354.25	2.59	-42.36
O=C(C1COCCN1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143759	1	49	-1.0	-44.94	354.30	2.62	-42.32
O=C(C1=CSC(C(F)(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143760	0	32	-1.0	-43.26	295.53	3.37	-39.89
O=C(C1=CSC(C(F)(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143760	1	32	-1.0	-43.24	295.47	3.35	-39.89
CC1=NC(C#N)=C(N2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)O1	REAL300020143761	0	48	-1.0	-52.78	384.41	1.19	-51.59
CC1=NC(C#N)=C(N2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)O1	REAL300020143761	1	48	-1.0	-52.79	384.46	1.22	-51.57
CN(C)C1=CC=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143762	0	47	-1.0	-46.52	368.60	6.66	-39.86
CN(C)C1=CC=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143762	1	47	-1.0	-46.52	368.66	6.69	-39.83
CN1N=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143763	0	35	-1.0	-41.70	299.48	3.90	-37.80
CN1N=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143763	1	35	-1.0	-41.69	299.42	3.88	-37.81
COC1=NC(C)=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143764	0	39	-1.0	-46.33	334.15	3.19	-43.14
COC1=NC(C)=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143764	1	39	-1.0	-46.37	334.20	3.21	-43.16
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143765	0	49	-1.0	-43.35	371.38	2.74	-40.61
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143765	1	49	-1.0	-43.37	371.44	2.77	-40.60
COCCOC1=CC=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143766	0	48	-1.0	-40.61	388.46	5.43	-35.18
COCCOC1=CC=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143766	1	48	-1.0	-40.57	388.52	5.45	-35.12
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143767	0	43	-1.0	-49.20	356.82	6.74	-42.46
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143767	1	43	-1.0	-49.18	356.88	6.77	-42.41
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CN(C)C2=CC=CC=C12	REAL300020143768	0	46	-1.0	-40.81	365.51	7.60	-33.21
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CN(C)C2=CC=CC=C12	REAL300020143768	1	46	-1.0	-40.83	365.56	7.63	-33.20
COC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020143769	0	40	-1.0	-44.10	334.71	4.89	-39.21
COC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020143769	1	40	-1.0	-44.08	334.76	4.91	-39.17
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020143770	0	46	-1.0	-51.02	359.51	6.21	-44.81
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020143770	1	46	-1.0	-51.03	359.57	6.23	-44.80
CCCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020143771	0	45	-1.0	-48.08	358.63	5.22	-42.86
CCCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020143771	1	45	-1.0	-48.06	358.69	5.24	-42.82
CN1N=C2C=CC=CC2=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143772	0	39	-1.0	-44.87	322.68	4.51	-40.36
CN1N=C2C=CC=CC2=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143772	1	39	-1.0	-44.86	322.62	4.49	-40.37
CC1=COC(C2=CC=CC=C2)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143773	0	43	-1.0	-48.45	352.65	7.02	-41.43
CC1=COC(C2=CC=CC=C2)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143773	1	43	-1.0	-48.42	352.71	7.05	-41.37
CCOC1=C2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CNC2=CC=C1	REAL300020143774	0	47	-1.0	-52.47	376.61	5.77	-46.70
CCOC1=C2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CNC2=CC=C1	REAL300020143774	1	47	-1.0	-52.48	376.67	5.79	-46.69
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(CC2CC2)=N1	REAL300020143775	0	42	-1.0	-42.63	338.92	3.06	-39.57
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(CC2CC2)=N1	REAL300020143775	1	42	-1.0	-42.64	338.98	3.09	-39.55
O=C(C1=CNC(=O)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143776	0	35	-1.0	-55.60	305.42	3.13	-52.47
O=C(C1=CNC(=O)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143776	1	35	-1.0	-55.67	305.48	3.16	-52.51
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143776	1	34	-2.0	-82.27	302.06	1.98	-80.29
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143776	1	34	-2.0	-82.25	302.12	2.01	-80.24
CC(C)(C)C1=CN=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020143777	0	47	-1.0	-46.56	374.56	3.70	-42.86
CC(C)(C)C1=CN=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020143777	1	47	-1.0	-46.54	374.62	3.73	-42.81
O=C(CC1=CC=C(F)C=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143778	0	36	-1.0	-47.18	318.76	5.98	-41.20
O=C(CC1=CC=C(F)C=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143778	1	36	-1.0	-47.20	318.81	6.01	-41.19
O=C(C1=NNC2=C1CCCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143779	0	43	-1.0	-47.57	324.17	4.31	-43.26
O=C(C1=NNC2=C1CCCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143779	1	43	-1.0	-47.54	324.22	4.34	-43.20
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(CC2CC2)=N1	REAL300020143780	0	42	-1.0	-44.11	349.41	5.23	-38.88
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(CC2CC2)=N1	REAL300020143780	1	42	-1.0	-44.14	349.47	5.26	-38.88
CC1=C(C)C=C2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=COC2=C1	REAL300020143781	0	42	-1.0	-49.97	336.98	6.13	-43.84
CC1=C(C)C=C2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=COC2=C1	REAL300020143781	1	42	-1.0	-49.95	337.04	6.16	-43.79
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC(C(F)(F)F)=N1	REAL300020143782	0	37	-1.0	-41.29	322.23	4.22	-37.07
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC(C(F)(F)F)=N1	REAL300020143782	1	37	-1.0	-41.24	322.28	4.24	-37.00
COCC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143783	0	43	-1.0	-48.28	349.77	5.17	-43.11
COCC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143783	1	43	-1.0	-48.25	349.83	5.20	-43.05
C=CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020143784	0	43	-1.0	-46.04	343.42	7.02	-39.02
C=CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020143784	1	43	-1.0	-46.08	343.48	7.05	-39.03
COCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020143785	0	44	-1.0	-39.41	370.27	4.43	-34.98
COCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020143785	1	44	-1.0	-39.43	370.33	4.45	-34.98
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143786	0	45	-1.0	-49.85	376.33	8.03	-41.82
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143786	1	45	-1.0	-49.82	376.39	8.06	-41.76
O=C(C1=CN2C=C(C(F)(F)F)N=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143787	0	39	-1.0	-44.95	341.94	6.10	-38.85
O=C(C1=CN2C=C(C(F)(F)F)N=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143787	1	39	-1.0	-44.95	341.88	6.08	-38.87
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC=C2C)=N1	REAL300020143788	0	45	-1.0	-39.59	371.35	6.66	-32.93
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2C)=N1	REAL300020143788	1	45	-1.0	-39.55	371.41	6.68	-32.87
COC1=NC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143789	0	39	-1.0	-49.71	325.37	0.65	-49.06
COC1=NC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143789	1	39	-1.0	-49.69	325.43	0.68	-49.01
CCCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020143790	0	46	-1.0	-38.02	379.42	6.75	-31.27
CCCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020143790	1	46	-1.0	-38.00	379.47	6.77	-31.23
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143791	0	45	-1.0	-54.84	369.69	3.46	-51.38
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143791	1	45	-1.0	-54.86	369.75	3.48	-51.38
O=C(CCC1=CC=CC2=C1OCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143792	0	42	-1.0	-48.71	342.13	4.90	-43.81
O=C(CCC1=CC=CC2=C1OCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143792	1	42	-1.0	-48.71	342.18	4.92	-43.79
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143793	0	43	-1.0	-49.51	360.52	0.59	-48.92
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143793	1	43	-1.0	-49.54	360.46	0.56	-48.98
CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143794	0	40	-1.0	-50.40	342.39	-1.28	-51.68
CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143794	1	40	-1.0	-50.39	342.33	-1.31	-51.70
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C(F)(F)F)O1	REAL300020143795	0	36	-1.0	-37.66	312.28	4.49	-33.17
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C(F)(F)F)O1	REAL300020143795	1	36	-1.0	-37.66	312.34	4.52	-33.14
CCSCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020143796	0	39	-1.0	-43.90	333.84	5.22	-38.68
CCSCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020143796	1	39	-1.0	-43.83	333.90	5.24	-38.59
CC(C)(C)OC(=O)N1CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C1	REAL300020143797	0	54	-1.0	-49.97	421.09	6.75	-43.22
CC(C)(C)OC(=O)N1CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C1	REAL300020143797	1	54	-1.0	-49.94	421.15	6.77	-43.17
O=C(C1=CN=C(C(F)(F)F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143798	0	34	-1.0	-41.65	300.99	2.80	-38.85
O=C(C1=CN=C(C(F)(F)F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143798	1	34	-1.0	-41.67	300.93	2.78	-38.89
CN(C)C1=NOC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020143799	0	42	-1.0	-47.40	343.97	4.09	-43.31
CN(C)C1=NOC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020143799	1	42	-1.0	-47.41	344.02	4.11	-43.30
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC(F)=C2)CCC1	REAL300020143800	0	46	-1.0	-53.48	356.44	7.37	-46.11
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC(F)=C2)CCC1	REAL300020143800	1	46	-1.0	-53.53	356.50	7.39	-46.14
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(OC)C=C1	REAL300020143801	0	50	-1.0	-46.15	390.28	5.82	-40.33
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(OC)C=C1	REAL300020143801	1	50	-1.0	-46.17	390.34	5.85	-40.32
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1C	REAL300020143802	0	49	-1.0	-46.25	386.48	7.69	-38.56
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1C	REAL300020143802	1	49	-1.0	-46.24	386.54	7.71	-38.53
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020143803	0	46	-1.0	-44.55	386.92	7.24	-37.31
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020143803	1	46	-1.0	-44.52	386.98	7.27	-37.25
CC(C)(C)OCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020143804	0	45	-1.0	-43.45	357.48	4.28	-39.17
CC(C)(C)OCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020143804	1	45	-1.0	-43.45	357.54	4.31	-39.14
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CCOCC2=CC=CC=C2)CC1	REAL300020143805	0	50	-1.0	-47.95	400.16	7.30	-40.65
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CCOCC2=CC=CC=C2)CC1	REAL300020143805	1	50	-1.0	-47.99	400.21	7.32	-40.67
C[C@H](OCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143806	0	43	-1.0	-39.14	345.27	6.32	-32.82
C[C@H](OCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143806	1	43	-1.0	-39.14	345.33	6.35	-32.79
CC(C)(C)OC(=O)N1CCCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143807	0	56	-1.0	-54.51	401.51	7.08	-47.43
CC(C)(C)OC(=O)N1CCCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143807	1	56	-1.0	-54.56	401.57	7.10	-47.46
O=C(C1=CC=C(C2=CN=CN=C2)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143808	0	41	-1.0	-40.80	340.80	5.95	-34.85
O=C(C1=CC=C(C2=CN=CN=C2)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143808	1	41	-1.0	-40.81	340.74	5.92	-34.89
O=C(C1=CC(=O)NC(C2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143809	0	40	-1.0	-47.06	328.91	3.74	-43.32
O=C(C1=CC(=O)NC(C2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143809	1	40	-1.0	-47.03	328.97	3.77	-43.26
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=N1	REAL300020143810	0	35	-1.0	-42.26	303.37	3.70	-38.56
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=N1	REAL300020143810	1	35	-1.0	-42.22	303.42	3.72	-38.50
O=C(C1CCCN1C(=O)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143811	0	40	-1.0	-53.95	331.08	3.39	-50.56
O=C(C1CCCN1C(=O)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143811	1	40	-1.0	-54.01	331.13	3.42	-50.59
O=C(C1CC12CCS(=O)(=O)CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143812	0	43	-1.0	-55.63	346.35	2.19	-53.44
O=C(C1CC12CCS(=O)(=O)CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143812	1	43	-1.0	-55.62	346.40	2.22	-53.40
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020143813	0	37	-1.0	-53.11	320.68	-2.47	-55.58
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020143813	1	37	-1.0	-53.08	320.62	-2.50	-55.58
O=C(C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC=N1)C1=CC=CC=C1	REAL300020143814	0	42	-1.0	-53.71	350.66	6.19	-47.52
O=C(C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC=N1)C1=CC=CC=C1	REAL300020143814	1	42	-1.0	-53.72	350.72	6.22	-47.50
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CN(C(=O)OC(C)(C)C)C1	REAL300020143815	0	53	-1.0	-54.31	409.58	5.26	-49.05
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CN(C(=O)OC(C)(C)C)C1	REAL300020143815	1	53	-1.0	-54.36	409.64	5.28	-49.08
CC1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143816	0	56	-1.0	-55.41	413.57	6.75	-48.66
CC1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143816	1	56	-1.0	-55.40	413.63	6.77	-48.63
O=C(CC1=CC=CC=C1CO)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143817	0	40	-1.0	-49.93	320.68	2.84	-47.09
O=C(CC1=CC=CC=C1CO)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143817	1	40	-1.0	-49.93	320.74	2.87	-47.06
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143818	0	49	-1.0	-46.86	390.32	9.67	-37.19
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143818	1	49	-1.0	-46.88	390.37	9.70	-37.18
COC1=CC=C(CN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=N2)C=C1OC	REAL300020143819	0	51	-1.0	-50.52	412.71	5.24	-45.28
COC1=CC=C(CN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=N2)C=C1OC	REAL300020143819	1	51	-1.0	-50.54	412.65	5.22	-45.32
CC1=CC=C(C2=CNC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020143820	0	41	-1.0	-53.86	347.42	5.95	-47.91
CC1=CC=C(C2=CNC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020143820	1	41	-1.0	-53.83	347.48	5.98	-47.85
CCN1C=C(C2=NNC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143821	0	43	-1.0	-55.26	356.33	3.17	-52.09
CCN1C=C(C2=NNC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143821	1	43	-1.0	-55.35	356.39	3.19	-52.16
N#CC1=C(F)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143822	0	34	-1.0	-57.66	295.77	4.73	-52.93
N#CC1=C(F)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143822	1	34	-1.0	-57.60	295.83	4.76	-52.84
O=C(CCCCCC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143823	0	48	-1.0	-49.13	387.01	8.67	-40.46
O=C(CCCCCC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143823	1	48	-1.0	-49.10	387.07	8.70	-40.40
O=C(C1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143824	0	36	-1.0	-35.40	326.30	5.97	-29.43
O=C(C1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143824	1	36	-1.0	-35.45	326.36	5.99	-29.46
CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCCC(C4=N[N-]N=N4)C1)(C2)C3	REAL300020143825	0	56	-1.0	-46.15	386.87	7.58	-38.57
CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCCC(C4=NN=N[N-]4)C1)(C2)C3	REAL300020143825	1	56	-1.0	-46.15	386.93	7.60	-38.55
CC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020143826	0	42	-1.0	-46.02	354.70	7.39	-38.63
CC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020143826	1	42	-1.0	-45.94	354.76	7.41	-38.53
O=C(C1=CN=C(CC2=CC=CC=C2F)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143827	0	42	-1.0	-40.22	363.80	6.12	-34.10
O=C(C1=CN=C(CC2=CC=CC=C2F)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143827	1	42	-1.0	-40.23	363.86	6.15	-34.08
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=C1Cl	REAL300020143828	0	41	-1.0	-39.71	343.55	4.31	-35.40
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=C1Cl	REAL300020143828	1	41	-1.0	-39.71	343.60	4.33	-35.38
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020143829	0	53	-1.0	-55.58	404.48	5.55	-50.03
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020143829	1	53	-1.0	-55.61	404.53	5.57	-50.04
O=C(C(O)CC1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143830	0	43	-1.0	-48.89	360.37	4.88	-44.01
O=C(C(O)CC1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143830	1	43	-1.0	-48.86	360.43	4.91	-43.95
CC(C)(C)C1=NN=C2C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN21	REAL300020143831	0	47	-1.0	-45.71	371.84	6.96	-38.75
CC(C)(C)C1=NN=C2C=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN21	REAL300020143831	1	47	-1.0	-45.69	371.78	6.93	-38.76
CCCCOC1=CC(OC)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143832	0	50	-1.0	-40.91	393.75	5.81	-35.10
CCCCOC1=CC(OC)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143832	1	50	-1.0	-40.85	393.81	5.84	-35.01
COC1=CC=C(F)C=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143833	0	40	-1.0	-48.72	329.39	4.85	-43.87
COC1=CC=C(F)C=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143833	1	40	-1.0	-48.67	329.45	4.88	-43.79
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=N1	REAL300020143834	0	40	-1.0	-48.10	332.81	4.44	-43.66
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=N1	REAL300020143834	1	40	-1.0	-48.14	332.87	4.47	-43.67
O=C(CC1(CSC2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143835	0	47	-1.0	-47.01	383.09	8.65	-38.36
O=C(CC1(CSC2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143835	1	47	-1.0	-46.99	383.14	8.67	-38.32
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143836	0	43	-1.0	-47.62	346.90	6.88	-40.74
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143836	1	43	-1.0	-47.60	346.84	6.85	-40.75
O=C(CCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020143837	0	47	-1.0	-48.51	385.71	7.72	-40.79
O=C(CCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020143837	1	47	-1.0	-48.50	385.77	7.74	-40.76
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC(C(F)(F)F)(C1)C2	REAL300020143838	0	37	-1.0	-44.24	307.52	5.09	-39.15
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(C(F)(F)F)(C1)C2	REAL300020143838	1	37	-1.0	-44.22	307.58	5.11	-39.11
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143839	0	33	-2.0	-87.36	297.48	-0.96	-88.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143839	1	33	-2.0	-87.39	297.53	-0.94	-88.33
O=C(C1=CNC2=C(F)C=C(F)C=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143840	0	39	-1.0	-57.83	337.25	4.58	-53.25
O=C(C1=CNC2=C(F)C=C(F)C=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143840	1	39	-1.0	-57.86	337.30	4.61	-53.25
O=C(C1=CC=NC2=CC=NC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143841	0	37	-1.0	-48.53	304.04	3.00	-45.53
O=C(C1=CC=NC2=CC=NC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143841	1	37	-1.0	-48.53	303.98	2.97	-45.56
O=C(C1=C(F)C=CC(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143842	0	33	-1.0	-49.29	293.10	4.74	-44.55
O=C(C1=C(F)C=CC(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143842	1	33	-1.0	-49.31	293.15	4.77	-44.54
O=C(C1=C(C2=CC=C(F)C=C2)OC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143843	0	39	-1.0	-48.09	331.55	2.85	-45.24
O=C(C1=C(C2=CC=C(F)C=C2)OC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143843	1	39	-1.0	-48.03	331.49	2.83	-45.20
CCN1C=C(C2=NN(C)C=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143844	0	46	-1.0	-56.07	379.38	4.52	-51.55
CCN1C=C(C2=NN(C)C=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143844	1	46	-1.0	-56.08	379.32	4.49	-51.59
O=C(CCC1=CN=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143845	0	44	-1.0	-47.66	354.06	6.63	-41.03
O=C(CCC1=CN=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143845	1	44	-1.0	-47.64	354.00	6.61	-41.03
COC(=O)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143846	0	42	-1.0	-50.56	346.89	5.86	-44.70
COC(=O)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143846	1	42	-1.0	-50.54	346.95	5.88	-44.66
O=C(C1=CC=C(C2=NNC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143847	0	39	-1.0	-50.48	325.01	5.29	-45.19
O=C(C1=CC=C(C2=NNC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143847	1	39	-1.0	-50.48	325.07	5.31	-45.17
COC1=CC2=CC=C([C@H](C)C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020143848	0	49	-1.0	-38.99	384.05	7.40	-31.59
COC1=CC2=CC=C([C@H](C)C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020143848	1	49	-1.0	-39.01	384.10	7.43	-31.58
CC(NC(=O)CC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143849	0	48	-1.0	-42.78	365.28	3.44	-39.34
CC(NC(=O)CC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143849	1	48	-1.0	-42.76	365.34	3.46	-39.30
CCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020143850	0	47	-1.0	-47.72	374.78	6.91	-40.81
CCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020143850	1	47	-1.0	-47.72	374.84	6.94	-40.78
CC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300020143851	0	50	-1.0	-47.62	392.82	7.53	-40.09
CC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300020143851	1	50	-1.0	-47.63	392.88	7.56	-40.07
O=C(C1=C(I)C=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143852	0	30	-1.0	-40.80	281.52	2.13	-38.67
O=C(C1=C(I)C=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143852	1	30	-1.0	-40.81	281.58	2.15	-38.66
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1OC	REAL300020143853	0	50	-1.0	-48.86	397.26	6.22	-42.64
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1OC	REAL300020143853	1	50	-1.0	-48.89	397.32	6.25	-42.64
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=N1	REAL300020143854	0	40	-1.0	-45.92	349.56	4.92	-41.00
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=N1	REAL300020143854	1	40	-1.0	-45.91	349.62	4.95	-40.96
CC1=NC=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020143855	0	34	-1.0	-38.25	300.69	3.67	-34.58
CC1=NC=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020143855	1	34	-1.0	-38.26	300.75	3.70	-34.56
O=C(C1=COC(C2CCCCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143856	0	45	-1.0	-41.27	352.04	4.28	-36.99
O=C(C1=COC(C2CCCCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143856	1	45	-1.0	-41.24	352.10	4.31	-36.93
NC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143857	0	37	-1.0	-44.45	311.12	3.14	-41.31
NC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143857	1	37	-1.0	-44.44	311.18	3.17	-41.27
O=C(CNC(=O)C1=CC=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143858	0	40	-1.0	-45.40	339.96	3.35	-42.05
O=C(CNC(=O)C1=CC=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143858	1	40	-1.0	-45.39	340.02	3.38	-42.01
O=C(CNC(=O)C1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143859	0	39	-1.0	-45.34	324.26	1.47	-43.87
O=C(CNC(=O)C1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143859	1	39	-1.0	-45.28	324.20	1.44	-43.84
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143860	0	43	-1.0	-53.43	354.09	4.89	-48.54
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143860	1	43	-1.0	-53.41	354.03	4.86	-48.55
CCOC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143861	0	38	-1.0	-38.53	313.60	1.04	-37.49
CCOC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143861	1	38	-1.0	-38.52	313.55	1.01	-37.51
N#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020143862	0	34	-1.0	-38.56	304.66	5.17	-33.39
N#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020143862	1	34	-1.0	-38.53	304.72	5.19	-33.34
O=C(C1=CNN=C1C1=CC=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143863	0	37	-1.0	-49.45	335.79	4.27	-45.18
O=C(C1=CNN=C1C1=CC=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143863	1	37	-1.0	-49.45	335.84	4.29	-45.16
CC1=CN(C2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(C)=NN2C)N=C1	REAL300020143864	0	46	-1.0	-52.89	376.00	5.55	-47.34
CC1=CN(C2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(C)=NN2C)N=C1	REAL300020143864	1	46	-1.0	-52.93	375.94	5.53	-47.40
O=C(C1=NC=CC(Cl)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143865	0	32	-1.0	-49.19	287.83	3.96	-45.23
O=C(C1=NC=CC(Cl)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143865	1	32	-1.0	-49.20	287.77	3.94	-45.26
O=C(CNC(=O)C1=CC=C(Br)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143866	0	37	-1.0	-43.98	342.83	2.95	-41.03
O=C(CNC(=O)C1=CC=C(Br)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143866	1	37	-1.0	-43.97	342.89	2.98	-40.99
O=C(CNC(=O)C1=CC=CC(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143867	0	41	-1.0	-46.74	340.07	0.37	-46.37
O=C(CNC(=O)C1=CC=CC(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143867	1	41	-1.0	-46.73	340.13	0.39	-46.34
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143868	0	40	-1.0	-43.81	341.87	3.36	-40.45
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143868	1	40	-1.0	-43.80	341.93	3.38	-40.42
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143869	0	40	-1.0	-45.38	341.74	3.34	-42.04
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143869	1	40	-1.0	-45.40	341.80	3.37	-42.03
O=C(CNC(=O)C1=CC2=C(CCC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143870	0	44	-1.0	-45.59	367.07	4.24	-41.35
O=C(CNC(=O)C1=CC2=C(CCC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143870	1	44	-1.0	-45.63	367.13	4.26	-41.37
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143871	0	40	-1.0	-48.44	354.79	3.54	-44.90
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143871	1	40	-1.0	-48.47	354.85	3.56	-44.91
O=C(C1=COC(CC2CC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143872	0	39	-1.0	-41.11	321.19	3.34	-37.77
O=C(C1=COC(CC2CC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143872	1	39	-1.0	-41.10	321.25	3.36	-37.74
C=CCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020143873	0	46	-1.0	-47.38	365.11	7.80	-39.58
C=CCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020143873	1	46	-1.0	-47.36	365.17	7.83	-39.53
CCOC(=O)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143874	0	52	-1.0	-45.18	412.24	3.41	-41.77
CCOC(=O)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143874	1	52	-1.0	-45.15	412.29	3.43	-41.72
O=C(C1COCCN1CC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143875	0	42	-1.0	-46.56	328.12	1.14	-45.42
O=C(C1COCCN1CC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143875	1	42	-1.0	-46.55	328.18	1.17	-45.38
CN1CCC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020143876	0	42	-1.0	-45.88	328.78	4.23	-41.65
CN1CCC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020143876	1	42	-1.0	-45.90	328.84	4.25	-41.65
N#CC(=CC1=CC=C(O)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143877	0	39	-1.0	-43.92	328.31	2.80	-41.12
N#CC(=CC1=CC=C(O)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143877	1	39	-1.0	-43.93	328.36	2.83	-41.10
CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN(C)C1=O	REAL300020143878	0	42	-1.0	-47.31	341.68	4.80	-42.51
CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN(C)C1=O	REAL300020143878	1	42	-1.0	-47.28	341.74	4.83	-42.45
CSCC(C)C(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020143879	0	53	-1.0	-51.11	410.59	6.04	-45.07
CSCC(C)C(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020143879	1	53	-1.0	-51.12	410.65	6.07	-45.05
O=C(C1=CN2C(=S)NN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143880	0	36	-1.0	-48.52	318.39	5.53	-42.99
O=C(C1=CN2C(=S)NN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143880	1	36	-1.0	-48.55	318.45	5.55	-43.00
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143880	1	35	-2.0	-90.24	315.29	5.39	-84.85
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143880	1	35	-2.0	-90.23	315.35	5.42	-84.81
N#CC1=CC=CC(N2C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020143881	0	41	-1.0	-53.18	349.24	6.59	-46.59
N#CC1=CC=CC(N2C=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020143881	1	41	-1.0	-53.18	349.18	6.56	-46.62
CC1=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(Br)S1	REAL300020143882	0	36	-1.0	-45.28	324.92	5.53	-39.75
CC1=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(Br)S1	REAL300020143882	1	36	-1.0	-45.27	324.98	5.55	-39.72
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143883	0	49	-1.0	-44.34	393.16	5.32	-39.02
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143883	1	49	-1.0	-44.36	393.21	5.34	-39.02
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=N1	REAL300020143884	0	41	-1.0	-50.10	314.58	4.80	-45.30
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=N1	REAL300020143884	1	41	-1.0	-50.10	314.53	4.78	-45.32
O=C(CC1CC1(Cl)Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143885	0	33	-1.0	-44.26	298.70	5.04	-39.22
O=C(CC1CC1(Cl)Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143885	1	33	-1.0	-44.26	298.76	5.07	-39.19
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143886	0	43	-1.0	-47.30	353.57	6.95	-40.35
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143886	1	43	-1.0	-47.27	353.51	6.92	-40.35
O=C(C(F)C1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143887	0	39	-1.0	-47.09	336.09	6.45	-40.64
O=C(C(F)C1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143887	1	39	-1.0	-47.08	336.15	6.48	-40.60
O=C(C1=CC2=C(C=N1)CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143888	0	42	-1.0	-41.19	327.14	6.00	-35.19
O=C(C1=CC2=C(C=N1)CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143888	1	42	-1.0	-41.20	327.20	6.02	-35.18
CCC(C)(C)C1CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020143889	0	57	-1.0	-45.90	390.50	7.98	-37.92
CCC(C)(C)C1CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020143889	1	57	-1.0	-45.86	390.56	8.00	-37.86
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N=C1	REAL300020143890	0	42	-1.0	-48.85	343.38	4.20	-44.65
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N=C1	REAL300020143890	1	42	-1.0	-48.86	343.32	4.17	-44.69
CC(C)(CC(=O)C1=CC=CC=C1)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143891	0	50	-1.0	-54.88	380.21	7.91	-46.97
CC(C)(CC(=O)C1=CC=CC=C1)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143891	1	50	-1.0	-54.91	380.27	7.93	-46.98
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143892	0	43	-1.0	-55.27	344.03	3.18	-52.09
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143892	1	43	-1.0	-55.23	344.09	3.20	-52.03
COC1=COC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020143893	0	36	-1.0	-40.63	301.82	2.76	-37.87
COC1=COC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020143893	1	36	-1.0	-40.62	301.88	2.79	-37.83
O=C(C1=CC2=CC=NC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143894	0	37	-1.0	-45.80	306.17	3.07	-42.73
O=C(C1=CC2=CC=NC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143894	1	37	-1.0	-45.80	306.11	3.04	-42.76
CC1=CN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC2=C1	REAL300020143895	0	40	-1.0	-39.67	328.81	6.92	-32.75
CC1=CN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC2=C1	REAL300020143895	1	40	-1.0	-39.71	328.87	6.94	-32.77
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C2=CC=CC=C2Cl)=NO1	REAL300020143896	0	44	-1.0	-48.25	363.57	6.22	-42.03
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C2=CC=CC=C2Cl)=NO1	REAL300020143896	1	44	-1.0	-48.23	363.63	6.25	-41.98
O=C(C1=CN=C(C2OCCO2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143897	0	38	-1.0	-46.48	323.98	1.25	-45.23
O=C(C1=CN=C(C2OCCO2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143897	1	38	-1.0	-46.47	324.03	1.27	-45.20
CC(O)C1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020143898	0	36	-1.0	-44.37	308.26	-0.30	-44.67
CC(O)C1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020143898	1	36	-1.0	-44.39	308.31	-0.27	-44.66
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143899	0	42	-2.0	-91.58	366.64	3.13	-88.45
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143899	1	42	-2.0	-88.39	366.49	3.30	-85.09
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143899	1	42	-2.0	-91.59	366.69	3.16	-88.43
NS(=O)(=O)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(Cl)S1	REAL300020143900	0	35	-1.0	-55.61	329.96	-0.66	-56.27
NS(=O)(=O)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(Cl)S1	REAL300020143900	1	35	-1.0	-55.63	330.02	-0.63	-56.26
CCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=N1	REAL300020143901	0	44	-1.0	-43.81	346.85	5.48	-38.33
CCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=N1	REAL300020143901	1	44	-1.0	-43.83	346.90	5.51	-38.32
O=C(C1=CC=CC=C1NC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143902	0	51	-1.0	-45.09	384.08	6.80	-38.29
O=C(C1=CC=CC=C1NC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143902	1	51	-1.0	-45.09	384.14	6.82	-38.27
CC(C)(C)C1=NN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020143903	0	40	-1.0	-42.03	332.70	3.65	-38.38
CC(C)(C)C1=NN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020143903	1	40	-1.0	-42.06	332.65	3.62	-38.44
O=C(C1=CC2=CC=CC(Br)=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143904	0	39	-1.0	-44.92	333.38	7.14	-37.78
O=C(C1=CC2=CC=CC(Br)=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143904	1	39	-1.0	-44.93	333.44	7.16	-37.77
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020143905	0	42	-1.0	-47.35	348.75	6.79	-40.56
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020143905	1	42	-1.0	-47.36	348.81	6.81	-40.55
CC1=CC=C2OC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2=C1	REAL300020143906	0	44	-1.0	-51.00	343.74	6.87	-44.13
CC1=CC=C2OC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2=C1	REAL300020143906	1	44	-1.0	-51.03	343.80	6.89	-44.14
O=C(C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143907	0	41	-1.0	-48.90	367.03	7.25	-41.65
O=C(C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143907	1	41	-1.0	-48.90	367.08	7.28	-41.62
CCN1N=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(C)N=C21	REAL300020143908	0	44	-1.0	-46.15	355.65	5.04	-41.11
CCN1N=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(C)N=C21	REAL300020143908	1	44	-1.0	-46.09	355.70	5.06	-41.03
CC(O)(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143909	0	46	-1.0	-38.50	358.09	4.40	-34.10
CC(O)(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143909	1	46	-1.0	-38.51	358.14	4.43	-34.08
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020143910	0	39	-1.0	-52.46	320.61	5.74	-46.72
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020143910	1	39	-1.0	-52.47	320.67	5.77	-46.70
COCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C2=CC=CC=C2)S1	REAL300020143911	0	46	-1.0	-48.43	393.40	5.08	-43.35
COCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C2=CC=CC=C2)S1	REAL300020143911	1	46	-1.0	-48.42	393.46	5.10	-43.32
CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2C(C(C)C)=NOC2=N1	REAL300020143912	0	49	-1.0	-44.42	388.99	4.17	-40.25
CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2C(C(C)C)=NOC2=N1	REAL300020143912	1	49	-1.0	-44.41	389.05	4.19	-40.22
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143913	0	46	-1.0	-46.59	359.52	7.98	-38.61
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143913	1	46	-1.0	-46.62	359.58	8.01	-38.61
O=C(C1=CC2=C(N=C(N3CCCC3)S2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143914	0	44	-1.0	-44.07	372.41	4.82	-39.25
O=C(C1=CC2=C(N=C(N3CCCC3)S2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143914	1	44	-1.0	-44.08	372.36	4.79	-39.29
O=C(C1=CC=C(Cl)C2=NC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143915	0	38	-1.0	-46.13	325.46	5.41	-40.72
O=C(C1=CC=C(Cl)C2=NC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143915	1	38	-1.0	-46.12	325.40	5.38	-40.74
COCCOC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143916	0	43	-1.0	-47.41	350.41	2.06	-45.35
COCCOC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143916	1	43	-1.0	-47.46	350.35	2.04	-45.42
CC1=NC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2N1	REAL300020143917	0	39	-1.0	-47.56	318.94	3.95	-43.61
CC1=NC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2N1	REAL300020143917	1	39	-1.0	-47.58	318.99	3.97	-43.61
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(Br)C=C1[N+](=O)[O-]	REAL300020143918	0	37	-1.0	-41.95	328.18	3.92	-38.03
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(Br)C=C1[N+](=O)[O-]	REAL300020143918	1	37	-1.0	-41.96	328.24	3.94	-38.02
O=C(C1=C2NC=CC(=O)N2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143919	0	36	-1.0	-52.43	303.82	2.24	-50.19
O=C(C1=C2NC=CC(=O)N2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143919	1	36	-1.0	-52.44	303.88	2.27	-50.17
CCOC(=O)OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143920	0	43	-1.0	-47.31	358.36	6.36	-40.95
CCOC(=O)OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143920	1	43	-1.0	-47.31	358.42	6.39	-40.92
COC1=CC=C(C(=O)N2CCCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143921	0	51	-1.0	-47.96	396.17	5.06	-42.90
COC1=CC=C(C(=O)N2CCCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143921	1	51	-1.0	-47.99	396.23	5.09	-42.90
O=C(C1=CC=C(OC2=CC=CC=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143922	0	43	-1.0	-40.80	354.10	6.37	-34.43
O=C(C1=CC=C(OC2=CC=CC=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143922	1	43	-1.0	-40.78	354.04	6.35	-34.43
CC1=CC=CC(OC2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143923	0	47	-1.0	-53.78	377.05	8.84	-44.94
CC1=CC=CC(OC2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143923	1	47	-1.0	-53.78	377.10	8.86	-44.92
CN1N=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CN=C21	REAL300020143924	0	37	-1.0	-58.26	307.49	2.19	-56.07
CN1N=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CN=C21	REAL300020143924	1	37	-1.0	-58.30	307.43	2.16	-56.14
O=C(C1=CC=CC=C1OC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143925	0	43	-1.0	-54.22	350.61	6.45	-47.77
O=C(C1=CC=CC=C1OC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143925	1	43	-1.0	-54.23	350.67	6.47	-47.76
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CSC(C2=CC=CS2)=N1	REAL300020143926	0	45	-1.0	-40.25	370.94	6.22	-34.03
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CSC(C2=CC=CS2)=N1	REAL300020143926	1	45	-1.0	-40.24	370.83	6.19	-34.05
O=C(C1CCN(CC(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143927	0	44	-1.0	-47.02	332.69	2.90	-44.12
O=C(C1CCN(CC(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143927	1	44	-1.0	-47.02	332.75	2.92	-44.10
O=C(C1C2C3CC4C5CC(C2C35)C41)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143928	0	46	-1.0	-47.76	324.86	6.80	-40.96
O=C(C1C2C3CC4C5CC(C2C35)C41)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143928	1	46	-1.0	-47.79	324.92	6.83	-40.96
O=C(C1=CC=NC=C1OC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143929	0	43	-1.0	-49.70	355.09	5.67	-44.03
O=C(C1=CC=NC=C1OC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143929	1	43	-1.0	-49.64	355.03	5.65	-43.99
O=C(C1=NC=CC=C1OC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143930	0	43	-1.0	-44.38	350.14	7.46	-36.92
O=C(C1=NC=CC=C1OC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143930	1	43	-1.0	-44.41	350.08	7.43	-36.98
CC1=NN(C)C(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143931	0	36	-1.0	-44.47	319.28	3.44	-41.03
CC1=NN(C)C(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143931	1	36	-1.0	-44.49	319.34	3.46	-41.03
CC(SC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(N)=O	REAL300020143932	0	44	-1.0	-50.31	364.72	2.79	-47.52
CC(SC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(N)=O	REAL300020143932	1	44	-1.0	-50.33	364.77	2.81	-47.52
O=C(CC1=C(F)C=CC(Br)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143933	0	36	-1.0	-47.56	325.92	6.11	-41.45
O=C(CC1=C(F)C=CC(Br)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143933	1	36	-1.0	-47.55	325.97	6.14	-41.41
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143934	0	44	-1.0	-56.98	357.67	5.81	-51.17
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143934	1	44	-1.0	-57.00	357.73	5.83	-51.17
CC1=C(F)C=CC(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143935	0	36	-1.0	-44.48	314.81	5.59	-38.89
CC1=C(F)C=CC(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143935	1	36	-1.0	-44.47	314.87	5.61	-38.86
CC(C)N1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020143936	0	41	-1.0	-45.71	328.53	2.71	-43.00
CC(C)N1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020143936	1	41	-1.0	-45.68	328.47	2.68	-43.00
CCOC(CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N)OCC	REAL300020143937	0	52	-1.0	-45.56	409.03	2.77	-42.79
CCOC(CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N)OCC	REAL300020143937	1	52	-1.0	-45.54	408.97	2.75	-42.79
COC1=CC=C2OC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020143938	0	40	-1.0	-42.85	328.75	4.24	-38.61
COC1=CC=C2OC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020143938	1	40	-1.0	-42.85	328.80	4.26	-38.59
CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2C(CC(C)(C)C)=NOC2=N1	REAL300020143939	0	55	-1.0	-43.85	418.06	5.88	-37.97
CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2C(CC(C)(C)C)=NOC2=N1	REAL300020143939	1	55	-1.0	-43.83	418.12	5.91	-37.92
CCCC1=NOC2=NC(CC)=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C12	REAL300020143940	0	49	-1.0	-44.23	387.16	4.30	-39.93
CCCC1=NOC2=NC(CC)=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C12	REAL300020143940	1	49	-1.0	-44.27	387.22	4.32	-39.95
CC(C)C(NC(=O)C(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143941	0	51	-1.0	-42.43	375.31	4.12	-38.31
CC(C)C(NC(=O)C(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143941	1	51	-1.0	-42.43	375.37	4.15	-38.28
CC(C)(COCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143942	0	49	-1.0	-44.94	377.86	6.33	-38.61
CC(C)(COCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143942	1	49	-1.0	-44.94	377.91	6.35	-38.59
O=C([C@@H](O)CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143943	0	40	-1.0	-38.00	322.10	3.91	-34.09
O=C([C@@H](O)CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143943	1	40	-1.0	-38.01	322.16	3.93	-34.08
CNC1=NC(C)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020143944	0	39	-1.0	-44.30	318.14	4.40	-39.90
CNC1=NC(C)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020143944	1	39	-1.0	-44.30	318.20	4.43	-39.87
O=C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143945	0	43	-1.0	-60.53	366.22	2.61	-57.92
O=C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143945	1	43	-1.0	-60.52	366.28	2.63	-57.89
O=C(C1=C(C2(O)CCOCC2)OC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143946	0	45	-1.0	-44.78	348.32	1.89	-42.89
O=C(C1=C(C2(O)CCOCC2)OC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143946	1	45	-1.0	-44.75	348.37	1.91	-42.84
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)F)CCCCC1	REAL300020143947	0	42	-1.0	-45.18	309.56	4.98	-40.20
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)F)CCCCC1	REAL300020143947	1	42	-1.0	-45.18	309.62	5.00	-40.18
O=C(C1=CC(Br)=CC2=NNN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143948	0	35	-1.0	-47.70	313.91	2.42	-45.28
O=C(C1=CC(Br)=CC2=NNN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143948	1	35	-1.0	-47.73	313.96	2.44	-45.29
CC(C)C(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020143949	0	55	-1.0	-53.38	410.87	4.53	-48.85
CC(C)C(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020143949	1	55	-1.0	-53.36	410.93	4.56	-48.80
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CN2N=NN=C2N1C	REAL300020143950	0	41	-1.0	-45.82	328.89	4.38	-41.44
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CN2N=NN=C2N1C	REAL300020143950	1	41	-1.0	-45.82	328.83	4.35	-41.47
O=C(C1=CN=CC(N2C=CN=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143951	0	38	-1.0	-49.26	317.41	2.56	-46.70
O=C(C1=CN=CC(N2C=CN=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143951	1	38	-1.0	-49.23	317.35	2.53	-46.70
O=C(C1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143952	0	36	-1.0	-45.78	330.74	6.74	-39.04
O=C(C1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143952	1	36	-1.0	-45.78	330.68	6.71	-39.07
CC(C)[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143953	0	46	-1.0	-42.54	380.23	4.47	-38.07
CC(C)[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143953	1	46	-1.0	-42.57	380.28	4.49	-38.08
CN1C=C(OC2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143954	0	44	-1.0	-54.38	360.07	6.01	-48.37
CN1C=C(OC2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143954	1	44	-1.0	-54.39	360.01	5.98	-48.41
COC1=CC=CC=C1N1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020143955	0	47	-1.0	-49.05	376.85	5.49	-43.56
COC1=CC=CC=C1N1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020143955	1	47	-1.0	-49.09	376.91	5.51	-43.58
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143956	0	49	-1.0	-50.74	391.71	6.35	-44.39
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143956	1	49	-1.0	-50.75	391.77	6.37	-44.38
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1Cl	REAL300020143957	0	36	-1.0	-50.84	312.16	0.69	-50.15
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1Cl	REAL300020143957	1	36	-1.0	-50.81	312.10	0.66	-50.15
O=C(CC1=CC=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143958	0	33	-1.0	-46.92	301.97	5.18	-41.74
O=C(CC1=CC=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143958	1	33	-1.0	-46.95	302.03	5.21	-41.74
CCC(C)CCC(O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143959	0	48	-1.0	-50.16	365.65	4.32	-45.84
CCC(C)CCC(O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143959	1	48	-1.0	-50.20	365.71	4.34	-45.86
NC1=C(F)C=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143960	0	35	-1.0	-40.94	306.03	3.11	-37.83
NC1=C(F)C=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143960	1	35	-1.0	-40.95	306.09	3.13	-37.82
CCC(O)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020143961	0	43	-1.0	-38.55	345.34	4.05	-34.50
CCC(O)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020143961	1	43	-1.0	-38.59	345.40	4.07	-34.52
CCC1=NC2=CC=CC=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020143962	0	47	-1.0	-45.34	371.28	6.60	-38.74
CCC1=NC2=CC=CC=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020143962	1	47	-1.0	-45.36	371.34	6.63	-38.73
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020143963	0	44	-1.0	-52.15	366.06	2.34	-49.81
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020143963	1	44	-1.0	-52.17	366.12	2.36	-49.81
O=C(C1=NN2C=CC(Cl)=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143964	0	36	-1.0	-45.72	315.24	5.22	-40.50
O=C(C1=NN2C=CC(Cl)=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143964	1	36	-1.0	-45.74	315.19	5.20	-40.54
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020143965	0	40	-1.0	-53.30	339.80	0.59	-52.71
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020143965	1	40	-1.0	-53.35	339.86	0.62	-52.73
O=C(C1=CC=C2NC(=O)NC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143966	0	36	-1.0	-46.84	300.49	1.31	-45.53
O=C(C1=CC=C2NC(=O)NC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143966	1	36	-1.0	-46.83	300.54	1.34	-45.49
CC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CC2)=N1	REAL300020143967	0	41	-1.0	-43.24	330.82	4.66	-38.58
CC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CC2)=N1	REAL300020143967	1	41	-1.0	-43.27	330.87	4.68	-38.59
CC1=CC=C2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CSC2=C1	REAL300020143968	0	39	-1.0	-39.66	329.08	6.50	-33.16
CC1=CC=C2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CSC2=C1	REAL300020143968	1	39	-1.0	-39.68	329.14	6.53	-33.15
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300020143969	0	42	-1.0	-46.17	369.02	6.99	-39.18
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300020143969	1	42	-1.0	-46.15	368.97	6.97	-39.18
O=C(CN1CCC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143970	0	44	-1.0	-58.37	353.49	5.84	-52.53
O=C(CN1CCC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143970	1	44	-1.0	-58.35	353.55	5.86	-52.49
CC1=C(Cl)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143971	0	36	-1.0	-45.21	302.86	5.47	-39.74
CC1=C(Cl)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143971	1	36	-1.0	-45.24	302.91	5.49	-39.75
CC1=CC(=O)N(CC(C)(O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020143972	0	46	-1.0	-46.31	357.62	3.15	-43.16
CC1=CC(=O)N(CC(C)(O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020143972	1	46	-1.0	-46.29	357.68	3.17	-43.12
CN(C)C1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020143973	0	43	-1.0	-41.84	356.55	5.78	-36.06
CN(C)C1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020143973	1	43	-1.0	-41.90	356.61	5.80	-36.10
NC1=NC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020143974	0	36	-1.0	-54.17	309.31	2.42	-51.75
NC1=NC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020143974	1	36	-1.0	-54.14	309.26	2.40	-51.74
O=C(C1=CC=CN1C1=C(Cl)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143975	0	41	-1.0	-47.81	365.31	8.59	-39.22
O=C(C1=CC=CN1C1=C(Cl)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143975	1	41	-1.0	-47.76	365.36	8.62	-39.14
O=C(C1CC[NH+](C2CC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143976	0	46	0.0	-69.94	339.46	5.92	-64.02
O=C(C1CC[NH+](C2CC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143976	1	46	0.0	-69.95	339.52	5.94	-64.01
CC(C)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020143977	0	43	-1.0	-46.68	339.98	3.79	-42.89
CC(C)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020143977	1	43	-1.0	-46.69	339.92	3.77	-42.92
O=C(C1=CC=C(OC(F)(F)Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143978	0	37	-1.0	-42.98	326.91	4.75	-38.23
O=C(C1=CC=C(OC(F)(F)Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143978	1	37	-1.0	-42.98	326.97	4.78	-38.20
CN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C1=O	REAL300020143979	0	44	-1.0	-57.06	348.93	5.00	-52.06
CN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C1=O	REAL300020143979	1	44	-1.0	-57.06	348.98	5.02	-52.04
O=C(C1=CC2=CC=CC=C2N1CC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143980	0	43	-1.0	-46.69	357.53	7.18	-39.51
O=C(C1=CC2=CC=CC=C2N1CC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143980	1	43	-1.0	-46.70	357.59	7.21	-39.49
O=C(C1=CNC=C1C1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143981	0	41	-1.0	-55.77	344.46	6.12	-49.65
O=C(C1=CNC=C1C1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143981	1	41	-1.0	-55.75	344.51	6.14	-49.61
CCCCCCCCCC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143982	0	59	-1.0	-45.70	441.60	9.93	-35.77
CCCCCCCCCC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143982	1	59	-1.0	-45.73	441.66	9.96	-35.77
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CNC2=CC=CC=C12	REAL300020143983	0	46	-1.0	-49.76	364.08	6.82	-42.94
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CNC2=CC=CC=C12	REAL300020143983	1	46	-1.0	-49.78	364.14	6.84	-42.94
N#CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020143984	0	34	-1.0	-44.51	296.67	4.84	-39.67
N#CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020143984	1	34	-1.0	-44.53	296.73	4.87	-39.66
O=C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143985	0	44	-1.0	-60.76	376.96	0.30	-60.46
O=C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143985	1	44	-1.0	-60.81	377.02	0.32	-60.49
O=C(C1=CC(O)=C2C=CSC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143986	0	37	-1.0	-40.94	316.21	2.88	-38.06
O=C(C1=CC(O)=C2C=CSC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143986	1	37	-1.0	-40.90	316.26	2.90	-38.00
O=C(C1=NC2=CC=CN=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143987	0	34	-1.0	-45.08	297.65	1.99	-43.09
O=C(C1=NC2=CC=CN=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143987	1	34	-1.0	-45.04	297.59	1.97	-43.07
NC1=C(Cl)C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020143988	0	35	-1.0	-36.98	311.81	3.44	-33.54
NC1=C(Cl)C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020143988	1	35	-1.0	-36.94	311.86	3.46	-33.48
O=C(C1=CC=C(NCC2CC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143989	0	44	-1.0	-44.86	352.27	4.59	-40.27
O=C(C1=CC=C(NCC2CC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143989	1	44	-1.0	-44.90	352.21	4.56	-40.34
CN1C=C2C(=N1)CCCC2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143990	0	43	-1.0	-49.45	336.18	4.66	-44.79
CN1C=C2C(=N1)CCCC2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143990	1	43	-1.0	-49.42	336.24	4.69	-44.73
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2CC2)=N1	REAL300020143991	0	39	-1.0	-38.22	327.52	4.59	-33.63
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2CC2)=N1	REAL300020143991	1	39	-1.0	-38.23	327.58	4.62	-33.61
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CN=CC(Br)=C2)CC1	REAL300020143992	0	39	-1.0	-46.28	335.27	5.13	-41.15
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CN=CC(Br)=C2)CC1	REAL300020143992	1	39	-1.0	-46.31	335.21	5.11	-41.20
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020143993	0	49	-1.0	-44.42	384.81	4.48	-39.94
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020143993	1	49	-1.0	-44.40	384.87	4.50	-39.90
O=C(CC1=C(Br)C(=O)NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143994	0	36	-1.0	-55.66	316.56	2.86	-52.80
O=C(CC1=C(Br)C(=O)NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143994	1	36	-1.0	-55.66	316.61	2.88	-52.78
COC1=CC=CC(C(C)CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143995	0	52	-1.0	-48.96	402.84	7.44	-41.52
COC1=CC=CC(C(C)CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143995	1	52	-1.0	-48.96	402.90	7.47	-41.49
CC1=CC(F)=CC(N2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=N2)=C1	REAL300020143996	0	42	-1.0	-44.26	351.96	5.45	-38.81
CC1=CC(F)=CC(N2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=N2)=C1	REAL300020143996	1	42	-1.0	-44.27	351.90	5.42	-38.85
CC1=NC2=C(CCCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020143997	0	42	-1.0	-46.12	333.12	5.68	-40.44
CC1=NC2=C(CCCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020143997	1	42	-1.0	-46.14	333.18	5.70	-40.44
O=C(C1=CC(C2=CC=C(Cl)C=C2)=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143998	0	41	-1.0	-49.14	348.43	6.82	-42.32
O=C(C1=CC(C2=CC=C(Cl)C=C2)=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143998	1	41	-1.0	-49.17	348.48	6.85	-42.32
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=CC(C)=C(C)C=C21	REAL300020143999	0	45	-1.0	-41.40	362.40	7.71	-33.69
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=CC(C)=C(C)C=C21	REAL300020143999	1	45	-1.0	-41.42	362.45	7.74	-33.68
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL300020144000	0	43	-1.0	-46.32	349.49	7.16	-39.16
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL300020144000	1	43	-1.0	-46.36	349.55	7.19	-39.17
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(C)=C1	REAL300020144001	0	52	-1.0	-46.34	413.53	8.17	-38.17
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(C)=C1	REAL300020144001	1	52	-1.0	-46.35	413.59	8.19	-38.16
O=C(CC1CC(C2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144002	0	46	-1.0	-47.45	359.39	8.02	-39.43
O=C(CC1CC(C2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144002	1	46	-1.0	-47.47	359.45	8.04	-39.43
O=C(CCCC1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144003	0	46	-1.0	-47.28	349.52	4.82	-42.46
O=C(CCCC1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144003	1	46	-1.0	-47.24	349.58	4.84	-42.40
O=C(C1=CC=CC(C2CCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144004	0	43	-1.0	-46.48	336.26	7.02	-39.46
O=C(C1=CC=CC(C2CCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144004	1	43	-1.0	-46.47	336.32	7.05	-39.42
CSC1=C(F)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144005	0	37	-1.0	-49.54	318.65	5.55	-43.99
CSC1=C(F)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144005	1	37	-1.0	-49.56	318.71	5.57	-43.99
COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020144006	0	39	-1.0	-53.15	317.75	3.10	-50.05
COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020144006	1	39	-1.0	-53.17	317.80	3.12	-50.05
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1CC1=CC=CC=C1	REAL300020144007	0	46	-1.0	-48.27	369.19	6.29	-41.98
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1CC1=CC=CC=C1	REAL300020144007	1	46	-1.0	-48.30	369.24	6.31	-41.99
C[C@H](OC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144008	0	40	-1.0	-48.69	338.77	6.33	-42.36
C[C@H](OC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144008	1	40	-1.0	-48.68	338.83	6.35	-42.33
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CN(C)N=C1	REAL300020144009	0	40	-1.0	-54.03	324.78	2.97	-51.06
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CN(C)N=C1	REAL300020144009	1	40	-1.0	-54.04	324.72	2.95	-51.09
CC1=NOC(C)=C1C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144010	0	44	-1.0	-42.74	329.03	4.43	-38.31
CC1=NOC(C)=C1C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144010	1	44	-1.0	-42.78	329.09	4.46	-38.32
O=C(C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144011	0	40	-1.0	-49.54	358.85	8.59	-40.95
O=C(C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144011	1	40	-1.0	-49.50	358.79	8.56	-40.94
CC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020144012	0	41	-1.0	-46.12	323.87	5.43	-40.69
CC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020144012	1	41	-1.0	-46.16	323.93	5.46	-40.70
COC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1O	REAL300020144013	0	45	-1.0	-53.42	364.18	2.46	-50.96
COC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1O	REAL300020144013	1	45	-1.0	-53.42	364.24	2.48	-50.94
O=C(C1=CC=NN1CC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144014	0	36	-1.0	-43.82	301.32	3.31	-40.51
O=C(C1=CC=NN1CC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144014	1	36	-1.0	-43.79	301.26	3.29	-40.50
O=C(C1CCC(C(F)(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144015	0	42	-1.0	-45.51	332.75	5.78	-39.73
O=C(C1CCC(C(F)(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144015	1	42	-1.0	-45.45	332.81	5.81	-39.64
CC(=O)NC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144016	0	43	-1.0	-50.76	347.88	4.53	-46.23
CC(=O)NC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144016	1	43	-1.0	-50.81	347.94	4.55	-46.26
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C1CC1	REAL300020144017	0	44	-1.0	-38.58	347.41	5.88	-32.70
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C1CC1	REAL300020144017	1	44	-1.0	-38.54	347.47	5.91	-32.63
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OCCO	REAL300020144018	0	45	-1.0	-50.67	362.32	1.50	-49.17
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OCCO	REAL300020144018	1	45	-1.0	-50.64	362.38	1.52	-49.12
O=C(C1=CC=C(F)C2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144019	0	39	-1.0	-45.80	320.03	6.71	-39.09
O=C(C1=CC=C(F)C2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144019	1	39	-1.0	-45.79	320.09	6.74	-39.05
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=COC=C2)=N1	REAL300020144020	0	40	-1.0	-52.11	334.39	3.85	-48.26
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=COC=C2)=N1	REAL300020144020	1	40	-1.0	-52.14	334.33	3.83	-48.31
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144021	0	46	-1.0	-56.53	349.97	4.82	-51.71
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144021	1	46	-1.0	-56.54	350.03	4.85	-51.69
CC1=CSC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020144022	0	38	-1.0	-46.44	322.65	3.95	-42.49
CC1=CSC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020144022	1	38	-1.0	-46.45	322.71	3.97	-42.48
COC(CNC(=O)OC(C)(C)C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144023	0	53	-1.0	-49.11	407.49	2.92	-46.19
COC(CNC(=O)OC(C)(C)C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144023	1	53	-1.0	-49.06	407.54	2.94	-46.12
O=C(C1=NN(C2=CC=NC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144024	0	39	-1.0	-46.64	323.46	4.40	-42.24
O=C(C1=NN(C2=CC=NC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144024	1	39	-1.0	-46.58	323.51	4.43	-42.15
CN(CCO)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144025	0	48	-1.0	-48.36	393.74	0.08	-48.28
CN(CCO)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144025	1	48	-1.0	-48.36	393.80	0.10	-48.26
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(S(N)(=O)=O)O1	REAL300020144026	0	38	-1.0	-50.35	328.72	-1.67	-52.02
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(S(N)(=O)=O)O1	REAL300020144026	1	38	-1.0	-50.27	328.77	-1.64	-51.91
O=C(C1=COC(C2CCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144027	0	39	-1.0	-41.25	316.15	3.11	-38.14
O=C(C1=COC(C2CCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144027	1	39	-1.0	-41.26	316.21	3.13	-38.13
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CN=C1	REAL300020144028	0	44	-1.0	-50.29	344.31	5.25	-45.04
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CN=C1	REAL300020144028	1	44	-1.0	-50.29	344.25	5.23	-45.06
CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144029	0	53	-1.0	-43.98	407.91	5.06	-38.92
CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144029	1	53	-1.0	-44.00	407.96	5.09	-38.91
CC1=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020144030	0	42	-1.0	-52.06	347.78	6.53	-45.53
CC1=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020144030	1	42	-1.0	-52.08	347.83	6.56	-45.52
CC1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1C1=CC=CC=C1	REAL300020144031	0	43	-1.0	-46.88	339.30	7.31	-39.57
CC1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1C1=CC=CC=C1	REAL300020144031	1	43	-1.0	-46.93	339.36	7.34	-39.59
CC1=CC=CN=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144032	0	38	-1.0	-46.83	311.08	4.83	-42.00
CC1=CC=CN=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144032	1	38	-1.0	-46.86	311.03	4.81	-42.05
CSC1=CC=CC(F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144033	0	37	-1.0	-51.87	319.74	5.56	-46.31
CSC1=CC=CC(F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144033	1	37	-1.0	-51.89	319.80	5.59	-46.30
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020144034	0	43	-2.0	-114.78	360.09	4.86	-109.92
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020144034	1	43	-2.0	-114.80	360.14	4.88	-109.92
CC(C)CC(=O)NC(CC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144035	0	49	-1.0	-51.37	379.65	1.21	-50.16
CC(C)CC(=O)NC(CC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144035	1	49	-1.0	-51.40	379.71	1.23	-50.17
C[Si](C)(C)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144036	0	48	-1.0	-49.25	387.53	9.93	-39.32
C[Si](C)(C)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144036	1	48	-1.0	-49.27	387.59	9.96	-39.31
CC(C)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020144037	0	38	-1.0	-41.62	302.83	4.61	-37.01
CC(C)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020144037	1	38	-1.0	-41.62	302.88	4.63	-36.99
COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144038	0	45	-1.0	-47.78	350.07	5.49	-42.29
COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144038	1	45	-1.0	-47.80	350.12	5.52	-42.28
O=C(C1=CC=C(Br)C2=C1OCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144039	0	41	-1.0	-39.99	341.82	6.00	-33.99
O=C(C1=CC=C(Br)C2=C1OCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144039	1	41	-1.0	-40.02	341.88	6.02	-34.00
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144040	0	37	-1.0	-44.02	331.51	6.54	-37.48
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144040	1	37	-1.0	-44.04	331.57	6.56	-37.48
CC1=NC(CN2N=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C)=NO1	REAL300020144041	0	43	-1.0	-49.27	358.20	1.27	-48.00
CC1=NC(CN2N=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C)=NO1	REAL300020144041	1	43	-1.0	-49.24	358.26	1.29	-47.95
CC1=NC(CN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=N2)=NO1	REAL300020144042	0	40	-1.0	-51.15	340.86	0.67	-50.48
CC1=NC(CN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=N2)=NO1	REAL300020144042	1	40	-1.0	-51.14	340.91	0.69	-50.45
CCSC1=NC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144043	0	38	-1.0	-41.09	319.30	3.81	-37.28
CCSC1=NC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144043	1	38	-1.0	-41.09	319.25	3.78	-37.31
CCC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020144044	0	36	-1.0	-42.83	313.71	3.15	-39.68
CCC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020144044	1	36	-1.0	-42.85	313.77	3.18	-39.67
O=C(C1=NN(CC(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144045	0	36	-1.0	-50.56	305.61	4.00	-46.56
O=C(C1=NN(CC(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144045	1	36	-1.0	-50.53	305.56	3.98	-46.55
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1CC1=CC=C(F)C=C1	REAL300020144046	0	48	-1.0	-48.10	389.47	6.31	-41.79
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1CC1=CC=C(F)C=C1	REAL300020144046	1	48	-1.0	-48.12	389.53	6.34	-41.78
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020144047	0	49	-2.0	-110.81	395.60	6.13	-104.68
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020144047	1	49	-2.0	-110.74	395.65	6.15	-104.59
O=C(CC1=CC=CN=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144048	0	35	-1.0	-50.83	307.49	4.07	-46.76
O=C(CC1=CC=CN=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144048	1	35	-1.0	-50.82	307.43	4.04	-46.78
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CC2=CC=CC=C2C1=O	REAL300020144049	0	45	-1.0	-45.98	357.22	6.30	-39.68
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CC2=CC=CC=C2C1=O	REAL300020144049	1	45	-1.0	-45.94	357.27	6.32	-39.62
CN1N=CC2=C1N(C)C=C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2=O	REAL300020144050	0	42	-1.0	-62.69	342.84	4.32	-58.37
CN1N=CC2=C1N(C)C=C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2=O	REAL300020144050	1	42	-1.0	-62.74	342.90	4.34	-58.40
CC1=C(S(N)(=O)=O)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020144051	0	38	-1.0	-38.82	348.15	-0.36	-39.18
CC1=C(S(N)(=O)=O)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020144051	1	38	-1.0	-38.85	348.20	-0.34	-39.19
COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020144052	0	39	-1.0	-62.16	329.28	4.62	-57.54
COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020144052	1	39	-1.0	-62.13	329.34	4.64	-57.49
O=C(C1=CC(Cl)=CC(Br)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144053	0	33	-1.0	-44.83	315.07	5.64	-39.19
O=C(C1=CC(Cl)=CC(Br)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144053	1	33	-1.0	-44.85	315.13	5.66	-39.19
O=C(C1=CC=C(Br)C(Cl)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144054	0	33	-1.0	-47.71	312.29	5.57	-42.14
O=C(C1=CC=C(Br)C(Cl)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144054	1	33	-1.0	-47.75	312.35	5.60	-42.15
COC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144055	0	49	-1.0	-52.72	393.14	8.96	-43.76
COC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144055	1	49	-1.0	-52.66	393.19	8.99	-43.67
O=C(OCC1=CC=CC=C1)N1CCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144056	0	51	-1.0	-58.17	409.24	6.95	-51.22
O=C(OCC1=CC=CC=C1)N1CCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144056	1	51	-1.0	-58.14	409.29	6.98	-51.16
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC(F)=CC=C21	REAL300020144057	0	40	-1.0	-56.19	330.90	6.21	-49.98
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC(F)=CC=C21	REAL300020144057	1	40	-1.0	-56.19	330.95	6.23	-49.96
N#CCCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020144058	0	47	-1.0	-62.59	389.08	8.34	-54.25
N#CCCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020144058	1	47	-1.0	-62.55	389.14	8.36	-54.19
CC1=NC2=CC=CC=C2C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144059	0	44	-1.0	-45.97	351.35	5.91	-40.06
CC1=NC2=CC=CC=C2C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144059	1	44	-1.0	-45.94	351.41	5.94	-40.00
O=C(C1=CN=NN1C1=C(Cl)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144060	0	39	-1.0	-46.02	352.32	5.34	-40.68
O=C(C1=CN=NN1C1=C(Cl)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144060	1	39	-1.0	-45.97	352.26	5.31	-40.66
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL300020144061	0	46	-1.0	-47.30	325.65	3.43	-43.87
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL300020144061	1	46	-1.0	-47.32	325.70	3.45	-43.87
O=C(C1CC(C2=C(F)C=CC=C2F)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144062	0	41	-1.0	-55.49	349.04	6.03	-49.46
O=C(C1CC(C2=C(F)C=CC=C2F)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144062	1	41	-1.0	-55.49	349.10	6.05	-49.44
O=C(C1=NC(C2=CC=CC=C2)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144063	0	39	-1.0	-41.65	333.75	5.17	-36.48
O=C(C1=NC(C2=CC=CC=C2)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144063	1	39	-1.0	-41.60	333.69	5.15	-36.45
CCC1=CSC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020144064	0	38	-1.0	-49.37	322.40	3.92	-45.45
CCC1=CSC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020144064	1	38	-1.0	-49.37	322.45	3.94	-45.43
O=C(C1=CC=NC(OC2=CC=C(F)C=C2F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144065	0	43	-1.0	-39.93	368.43	4.83	-35.10
O=C(C1=CC=NC(OC2=CC=C(F)C=C2F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144065	1	43	-1.0	-39.91	368.37	4.81	-35.10
CN1N=CC2=C1CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CC2	REAL300020144066	0	43	-1.0	-38.74	335.02	4.60	-34.14
CN1N=CC2=C1CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CC2	REAL300020144066	1	43	-1.0	-38.72	335.08	4.63	-34.09
CS(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144067	0	41	-1.0	-58.09	346.88	4.03	-54.06
CS(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144067	1	41	-1.0	-58.12	346.94	4.06	-54.06
CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020144068	0	39	-1.0	-52.32	332.19	4.08	-48.24
CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=N1	REAL300020144068	1	39	-1.0	-52.31	332.13	4.06	-48.25
O=C([C@H]1C[C@@H]1C1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144069	0	40	-1.0	-49.44	328.29	6.83	-42.61
O=C([C@H]1C[C@@H]1C1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144069	1	40	-1.0	-49.46	328.34	6.86	-42.60
O=C(CCCOC1=CC=C2CCC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144070	0	51	-1.0	-55.98	405.86	5.03	-50.95
O=C(CCCOC1=CC=C2CCC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144070	1	51	-1.0	-56.01	405.92	5.05	-50.96
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1CC1=CC=C(F)C=C1	REAL300020144071	0	45	-1.0	-48.46	367.99	5.60	-42.86
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1CC1=CC=C(F)C=C1	REAL300020144071	1	45	-1.0	-48.48	368.04	5.62	-42.86
O=C(C1=CC=CC2=C1NC1=CC=CC=C1C2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144072	0	45	-1.0	-46.96	365.73	6.55	-40.41
O=C(C1=CC=CC2=C1NC1=CC=CC=C1C2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144072	1	45	-1.0	-47.01	365.79	6.58	-40.43
O=C(C1=CC=C(N2C(=O)CCC2=O)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144073	0	45	-1.0	-58.12	380.08	6.13	-51.99
O=C(C1=CC=C(N2C(=O)CCC2=O)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144073	1	45	-1.0	-58.08	380.14	6.16	-51.92
O=C(C1=CC=CC(CN2C=CN=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144074	0	43	-1.0	-52.39	353.85	7.70	-44.69
O=C(C1=CC=CC(CN2C=CN=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144074	1	43	-1.0	-52.35	353.90	7.73	-44.62
O=C(C1=NC2=NC=CN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144075	0	36	-1.0	-48.14	300.54	2.82	-45.32
O=C(C1=NC2=NC=CN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144075	1	36	-1.0	-48.15	300.49	2.79	-45.36
CC1=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020144076	0	38	-1.0	-41.37	314.18	2.09	-39.28
CC1=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020144076	1	38	-1.0	-41.38	314.23	2.11	-39.27
O=C(C1=NC2=CC=CC=C2N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144077	0	36	-1.0	-49.76	303.12	3.02	-46.74
O=C(C1=NC2=CC=CC=C2N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144077	1	36	-1.0	-49.77	303.07	3.00	-46.77
CC1=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C2O1	REAL300020144078	0	38	-1.0	-56.28	314.85	2.11	-54.17
CC1=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C2O1	REAL300020144078	1	38	-1.0	-56.31	314.91	2.13	-54.18
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1CO	REAL300020144079	0	40	-1.0	-48.41	317.81	2.54	-45.87
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1CO	REAL300020144079	1	40	-1.0	-48.41	317.87	2.56	-45.85
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144080	0	42	-1.0	-60.32	350.15	5.79	-54.53
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144080	1	42	-1.0	-60.38	350.21	5.82	-54.56
CN1C=NC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C21	REAL300020144081	0	39	-1.0	-47.01	313.16	5.61	-41.40
CN1C=NC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C21	REAL300020144081	1	39	-1.0	-47.03	313.10	5.58	-41.45
COC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020144082	0	35	-1.0	-42.02	302.78	3.10	-38.92
COC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020144082	1	35	-1.0	-42.00	302.72	3.08	-38.92
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144083	0	37	-1.0	-43.41	315.47	3.15	-40.26
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144083	1	37	-1.0	-43.42	315.52	3.17	-40.25
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)S(C)(=O)=O	REAL300020144084	0	41	-1.0	-45.45	323.32	1.01	-44.44
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)S(C)(=O)=O	REAL300020144084	1	41	-1.0	-45.46	323.38	1.04	-44.42
CCOC1=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020144085	0	43	-1.0	-40.72	350.91	1.83	-38.89
CCOC1=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020144085	1	43	-1.0	-40.69	350.96	1.85	-38.84
COC1=CC=CN=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144086	0	39	-1.0	-50.88	318.03	2.96	-47.92
COC1=CC=CN=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144086	1	39	-1.0	-50.89	318.08	2.98	-47.91
O=C(C1=C(Br)OC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144087	0	30	-1.0	-46.55	273.46	3.24	-43.31
O=C(C1=C(Br)OC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144087	1	30	-1.0	-46.57	273.52	3.26	-43.31
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Br	REAL300020144088	0	42	-1.0	-48.21	329.36	6.13	-42.08
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Br	REAL300020144088	1	42	-1.0	-48.22	329.41	6.16	-42.06
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(O)C=C1	REAL300020144089	0	36	-1.0	-45.02	307.50	1.60	-43.42
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(O)C=C1	REAL300020144089	1	36	-1.0	-45.05	307.56	1.62	-43.43
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C([O-])C=C1	REAL300020144089	1	35	-2.0	-84.42	303.94	2.38	-82.04
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C([O-])C=C1	REAL300020144089	1	35	-2.0	-84.42	304.00	2.40	-82.02
O=C(C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020144090	0	44	-1.0	-58.53	366.06	7.14	-51.39
O=C(C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020144090	1	44	-1.0	-58.53	366.00	7.11	-51.42
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144091	0	44	-1.0	-45.95	368.07	6.56	-39.39
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144091	1	44	-1.0	-45.95	368.13	6.59	-39.36
N#CC1=CC=CC(C2=NOC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020144092	0	40	-1.0	-46.14	346.85	6.03	-40.11
N#CC1=CC=CC(C2=NOC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020144092	1	40	-1.0	-46.15	346.79	6.00	-40.15
CC1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020144093	0	36	-1.0	-48.54	318.75	5.73	-42.81
CC1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020144093	1	36	-1.0	-48.55	318.80	5.76	-42.79
O=C(C1CCCN1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144094	0	45	-1.0	-50.37	348.10	5.36	-45.01
O=C(C1CCCN1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144094	1	45	-1.0	-50.39	348.16	5.38	-45.01
O=C(C1=C(F)C=CC(Br)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144095	0	33	-1.0	-48.06	307.39	5.29	-42.77
O=C(C1=C(F)C=CC(Br)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144095	1	33	-1.0	-48.04	307.45	5.31	-42.73
O=C(CC1=CC=CC(N2CCCC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144096	0	47	-1.0	-54.93	372.03	6.56	-48.37
O=C(CC1=CC=CC(N2CCCC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144096	1	47	-1.0	-54.92	372.09	6.58	-48.34
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1Cl	REAL300020144097	0	36	-1.0	-50.55	311.62	5.58	-44.97
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1Cl	REAL300020144097	1	36	-1.0	-50.54	311.68	5.61	-44.93
O=C(C1CC2CCCC(C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144098	0	46	-1.0	-45.52	329.53	6.23	-39.29
O=C(C1CC2CCCC(C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144098	1	46	-1.0	-45.49	329.58	6.26	-39.23
CC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C1=CC=CC=C1	REAL300020144099	0	46	-1.0	-55.36	374.29	6.96	-48.40
CC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C1=CC=CC=C1	REAL300020144099	1	46	-1.0	-55.38	374.34	6.98	-48.40
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144100	0	46	-1.0	-52.15	361.28	7.96	-44.19
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144100	1	46	-1.0	-52.12	361.34	7.99	-44.13
O=C(OCC1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144101	0	51	-1.0	-47.50	407.82	6.60	-40.90
O=C(OCC1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144101	1	51	-1.0	-47.55	407.88	6.62	-40.93
O=C(C1=CNN=C1C1=COC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144102	0	37	-1.0	-51.27	313.29	2.55	-48.72
O=C(C1=CNN=C1C1=COC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144102	1	37	-1.0	-51.27	313.35	2.57	-48.70
O=C(C1=CC2=NC=CN=C2C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144103	0	37	-1.0	-49.76	312.90	2.96	-46.80
O=C(C1=CC2=NC=CN=C2C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144103	1	37	-1.0	-49.76	312.84	2.93	-46.83
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1CC1CCCC1	REAL300020144104	0	48	-1.0	-47.62	370.70	5.35	-42.27
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1CC1CCCC1	REAL300020144104	1	48	-1.0	-47.66	370.76	5.38	-42.28
O=C(C1=CC=C(OC2CCOC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144105	0	45	-1.0	-47.48	355.15	4.06	-43.42
O=C(C1=CC=C(OC2CCOC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144105	1	45	-1.0	-47.49	355.21	4.08	-43.41
CC(C)(C)C(=O)NC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144106	0	55	-1.0	-39.95	409.55	5.66	-34.29
CC(C)(C)C(=O)NC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144106	1	55	-1.0	-39.97	409.61	5.68	-34.29
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=C(Cl)S2)=N1	REAL300020144107	0	40	-1.0	-51.17	361.74	5.55	-45.62
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=C(Cl)S2)=N1	REAL300020144107	1	40	-1.0	-51.16	361.69	5.52	-45.64
O=C(C1CC(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144108	0	39	-1.0	-49.45	315.42	5.33	-44.12
O=C(C1CC(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144108	1	39	-1.0	-49.43	315.47	5.36	-44.07
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC(F)F)=C1	REAL300020144109	0	41	-1.0	-42.16	338.66	3.59	-38.57
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC(F)F)=C1	REAL300020144109	1	41	-1.0	-42.12	338.72	3.61	-38.51
CC(C)NC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020144110	0	54	-1.0	-59.19	395.73	4.22	-54.97
CC(C)NC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020144110	1	54	-1.0	-59.14	395.79	4.24	-54.90
O=C(C1=CC=CC=C1)C1=CC(F)=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144111	0	45	-1.0	-48.92	384.65	7.96	-40.96
O=C(C1=CC=CC=C1)C1=CC(F)=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144111	1	45	-1.0	-48.95	384.70	7.98	-40.97
CC(C)(C)C1=CC=C(C(O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144112	0	55	-1.0	-47.16	421.06	6.21	-40.95
CC(C)(C)C1=CC=C(C(O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144112	1	55	-1.0	-47.18	421.12	6.24	-40.94
O=C(C1=CC=C(N2C=CN=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144113	0	39	-1.0	-42.77	320.47	5.91	-36.86
O=C(C1=CC=C(N2C=CN=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144113	1	39	-1.0	-42.77	320.53	5.94	-36.83
CC1=CC(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144114	0	39	-1.0	-57.82	320.29	4.66	-53.16
CC1=CC(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144114	1	39	-1.0	-57.82	320.35	4.69	-53.13
CC1=CC=CC(Cl)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144115	0	39	-1.0	-46.87	325.74	6.39	-40.48
CC1=CC=CC(Cl)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144115	1	39	-1.0	-46.90	325.79	6.42	-40.48
CN(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CN=CN1C	REAL300020144116	0	44	-1.0	-41.40	330.15	3.10	-38.30
CN(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CN=CN1C	REAL300020144116	1	44	-1.0	-41.42	330.21	3.13	-38.29
CCNC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144117	0	41	-1.0	-43.02	340.83	4.76	-38.26
CCNC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144117	1	41	-1.0	-43.02	340.88	4.78	-38.24
O=C(C1=CC(F)=CC=C1N1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144118	0	40	-1.0	-53.26	330.84	6.09	-47.17
O=C(C1=CC(F)=CC=C1N1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144118	1	40	-1.0	-53.29	330.78	6.07	-47.22
O=C(C1CCC(=O)C2=CC=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144119	0	40	-1.0	-46.89	319.03	4.65	-42.24
O=C(C1CCC(=O)C2=CC=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144119	1	40	-1.0	-46.89	319.09	4.67	-42.22
CC1(C)COC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020144120	0	44	-1.0	-42.05	347.78	5.43	-36.62
CC1(C)COC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020144120	1	44	-1.0	-42.05	347.83	5.46	-36.59
O=C(CC1=CC=CC(Cl)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144121	0	36	-1.0	-48.86	323.80	6.34	-42.52
O=C(CC1=CC=CC(Cl)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144121	1	36	-1.0	-48.83	323.86	6.36	-42.47
CC1=CC=CC=C1N1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C(C)C	REAL300020144122	0	52	-1.0	-45.34	401.01	8.04	-37.30
CC1=CC=CC=C1N1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C(C)C	REAL300020144122	1	52	-1.0	-45.36	401.06	8.06	-37.30
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020144123	0	52	-1.0	-52.83	410.31	4.09	-48.74
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020144123	1	52	-1.0	-52.80	410.37	4.11	-48.69
O=C(C1=CC(C2CC2)=CN=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144124	0	39	-1.0	-46.71	329.63	5.18	-41.53
O=C(C1=CC(C2CC2)=CN=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144124	1	39	-1.0	-46.73	329.57	5.15	-41.58
O=C(CCC1=CNC(=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144125	0	39	-1.0	-52.35	320.70	3.14	-49.21
O=C(CCC1=CNC(=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144125	1	39	-1.0	-52.36	320.76	3.17	-49.19
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(SC(F)F)=N1	REAL300020144126	0	39	-1.0	-51.80	353.80	4.97	-46.83
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(SC(F)F)=N1	REAL300020144126	1	39	-1.0	-51.80	353.86	5.00	-46.80
O=C(C1=CC=CN=C1OCC1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144127	0	46	-1.0	-42.56	382.75	5.56	-37.00
O=C(C1=CC=CN=C1OCC1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144127	1	46	-1.0	-42.53	382.70	5.53	-37.00
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1CC1=CC=C(F)C=C1F	REAL300020144128	0	45	-1.0	-52.73	375.18	5.67	-47.06
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1CC1=CC=C(F)C=C1F	REAL300020144128	1	45	-1.0	-52.80	375.24	5.70	-47.10
NC(=O)C1=CC=CC=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144129	0	43	-1.0	-53.98	341.72	2.96	-51.02
NC(=O)C1=CC=CC=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144129	1	43	-1.0	-54.02	341.78	2.98	-51.04
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCCC2)CCCCC1	REAL300020144130	0	55	-1.0	-49.20	364.53	7.79	-41.41
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCCC2)CCCCC1	REAL300020144130	1	55	-1.0	-49.24	364.59	7.81	-41.43
O=C(CN1C=CC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144131	0	42	-1.0	-56.60	345.19	6.29	-50.31
O=C(CN1C=CC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144131	1	42	-1.0	-56.58	345.25	6.31	-50.27
CC1CCC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144132	0	46	-1.0	-49.12	352.01	6.09	-43.03
CC1CCC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144132	1	46	-1.0	-49.11	352.06	6.12	-42.99
O=C(CC1=CC=C(I)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144133	0	36	-1.0	-46.99	322.45	6.54	-40.45
O=C(CC1=CC=C(I)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144133	1	36	-1.0	-46.99	322.51	6.56	-40.43
NC(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144134	0	40	-1.0	-53.40	329.21	2.22	-51.18
NC(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144134	1	40	-1.0	-53.39	329.27	2.24	-51.15
CC1=CC=CC2=C1C(C)CC2CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144135	0	49	-1.0	-49.54	366.83	8.24	-41.30
CC1=CC=CC2=C1C(C)CC2CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144135	1	49	-1.0	-49.50	366.89	8.27	-41.23
O=C(C=CC1=CC=CC=C1N1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144136	0	44	-1.0	-56.02	361.13	7.41	-48.61
O=C(C=CC1=CC=CC=C1N1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144136	1	44	-1.0	-55.99	361.07	7.38	-48.61
O=C(CCOCC(F)(F)C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144137	0	39	-1.0	-47.09	334.38	3.99	-43.10
O=C(CCOCC(F)(F)C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144137	1	39	-1.0	-47.09	334.44	4.01	-43.08
CC(C)(C)CC(CNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144138	0	61	-1.0	-51.38	424.04	5.60	-45.78
CC(C)(C)CC(CNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144138	1	61	-1.0	-51.42	424.09	5.63	-45.79
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144139	0	38	-1.0	-56.68	318.63	6.07	-50.61
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144139	1	38	-1.0	-56.69	318.68	6.10	-50.59
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCOCC1	REAL300020144140	0	45	-1.0	-45.35	324.97	2.90	-42.45
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCOCC1	REAL300020144140	1	45	-1.0	-45.34	325.02	2.93	-42.41
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCC(O)CC1	REAL300020144141	0	49	-1.0	-47.34	343.07	2.63	-44.71
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCC(O)CC1	REAL300020144141	1	49	-1.0	-47.38	343.13	2.66	-44.72
O=C(C1CCCC2=C(O)C=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144142	0	44	-1.0	-49.41	340.59	4.13	-45.28
O=C(C1CCCC2=C(O)C=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144142	1	44	-1.0	-49.41	340.65	4.16	-45.25
COCCOC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144143	0	50	-1.0	-39.37	383.25	4.08	-35.29
COCCOC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144143	1	50	-1.0	-39.42	383.30	4.11	-35.31
COC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C(F)C=C1	REAL300020144144	0	41	-1.0	-45.82	336.85	4.25	-41.57
COC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C(F)C=C1	REAL300020144144	1	41	-1.0	-45.87	336.91	4.27	-41.60
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N2C=C(Br)C=CC2=N1	REAL300020144145	0	39	-1.0	-44.73	344.01	6.10	-38.63
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N2C=C(Br)C=CC2=N1	REAL300020144145	1	39	-1.0	-44.71	344.07	6.12	-38.59
O=C(C(F)CC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144146	0	45	-1.0	-36.46	341.65	6.42	-30.04
O=C(C(F)CC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144146	1	45	-1.0	-36.48	341.70	6.44	-30.04
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2C)=NO1	REAL300020144147	0	45	-1.0	-45.04	363.59	7.20	-37.84
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2C)=NO1	REAL300020144147	1	45	-1.0	-45.03	363.64	7.22	-37.81
CC1=C(C(C)C)N=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144148	0	44	-1.0	-49.81	363.46	5.25	-44.56
CC1=C(C(C)C)N=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144148	1	44	-1.0	-49.81	363.52	5.28	-44.53
O=C(C1=CN=C2NC=C(Br)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144149	0	36	-1.0	-53.62	322.15	4.54	-49.08
O=C(C1=CN=C2NC=C(Br)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144149	1	36	-1.0	-53.66	322.21	4.57	-49.09
O=C(CC1=CC2=CNN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144150	0	39	-1.0	-53.90	320.92	4.15	-49.75
O=C(CC1=CC2=CNN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144150	1	39	-1.0	-53.90	320.98	4.18	-49.72
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144151	0	53	-1.0	-51.75	404.56	5.19	-46.56
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144151	1	53	-1.0	-51.71	404.62	5.21	-46.50
O=C(C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144152	0	45	-1.0	-42.15	373.31	5.24	-36.91
O=C(C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144152	1	45	-1.0	-42.15	373.26	5.22	-36.93
COC1CCCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144153	0	46	-1.0	-49.37	344.88	4.87	-44.50
COC1CCCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144153	1	46	-1.0	-49.43	344.94	4.89	-44.54
O=C(C1CC2=CC=C(F)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144154	0	37	-1.0	-45.46	302.92	5.87	-39.59
O=C(C1CC2=CC=C(F)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144154	1	37	-1.0	-45.46	302.97	5.90	-39.56
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144155	0	42	-1.0	-53.42	355.41	6.36	-47.06
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144155	1	42	-1.0	-53.42	355.46	6.38	-47.04
CC1=NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2N1C	REAL300020144156	0	42	-1.0	-49.39	339.21	5.58	-43.81
CC1=NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2N1C	REAL300020144156	1	42	-1.0	-49.39	339.26	5.60	-43.79
CC(C)(C#N)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144157	0	43	-1.0	-47.80	347.04	6.39	-41.41
CC(C)(C#N)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144157	1	43	-1.0	-47.81	347.10	6.42	-41.39
CC(C)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020144158	0	51	-1.0	-44.46	357.26	7.07	-37.39
CC(C)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020144158	1	51	-1.0	-44.41	357.32	7.09	-37.32
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144159	0	52	0.0	-77.65	390.41	8.21	-69.44
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144159	1	52	0.0	-77.60	390.46	8.23	-69.37
CC(C)(C)OC(=O)N1CC2(CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144160	0	51	-1.0	-50.10	398.92	5.40	-44.70
CC(C)(C)OC(=O)N1CC2(CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144160	1	51	-1.0	-50.13	398.98	5.43	-44.70
CN1N=C(C(F)F)C2=C1SC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020144161	0	39	-1.0	-40.21	345.03	4.38	-35.83
CN1N=C(C(F)F)C2=C1SC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020144161	1	39	-1.0	-40.12	345.09	4.41	-35.71
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144162	0	46	-1.0	-52.38	363.45	7.97	-44.41
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144162	1	46	-1.0	-52.35	363.51	7.99	-44.36
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144163	0	46	-1.0	-45.73	347.46	3.33	-42.40
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144163	1	46	-1.0	-45.74	347.52	3.36	-42.38
CC(C)CN1C=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020144164	0	49	-1.0	-51.45	380.22	8.12	-43.33
CC(C)CN1C=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020144164	1	49	-1.0	-51.39	380.28	8.15	-43.24
O=C(C1=CC2=CC=CC=C2C(=O)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144165	0	38	-1.0	-46.58	319.80	5.99	-40.59
O=C(C1=CC2=CC=CC=C2C(=O)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144165	1	38	-1.0	-46.59	319.86	6.02	-40.57
O=C(C1=C(C(F)(F)F)SC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144166	0	32	-1.0	-49.00	296.61	2.70	-46.30
O=C(C1=C(C(F)(F)F)SC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144166	1	32	-1.0	-49.05	296.55	2.67	-46.38
O=C(C1=CC=C2C=CCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144167	0	41	-1.0	-46.18	325.73	6.81	-39.37
O=C(C1=CC=C2C=CCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144167	1	41	-1.0	-46.19	325.78	6.84	-39.35
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144168	0	46	-1.0	-48.14	381.63	6.28	-41.86
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144168	1	46	-1.0	-48.18	381.69	6.31	-41.87
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020144169	0	46	-1.0	-46.95	356.36	5.86	-41.09
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020144169	1	46	-1.0	-46.94	356.42	5.89	-41.05
CC(C)CC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144170	0	45	-1.0	-46.29	347.61	6.99	-39.30
CC(C)CC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144170	1	45	-1.0	-46.25	347.67	7.02	-39.23
N#CC1=CC=C(CC(C#N)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144171	0	41	-1.0	-46.63	352.04	6.44	-40.19
N#CC1=CC=C(CC(C#N)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144171	1	41	-1.0	-46.62	352.10	6.47	-40.15
O=C(C1=NN(C2CCCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144172	0	46	-1.0	-46.58	354.22	6.07	-40.51
O=C(C1=NN(C2CCCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144172	1	46	-1.0	-46.61	354.17	6.04	-40.57
COC1=CC=C(OC)C(C2=NOC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2)=C1	REAL300020144173	0	49	-1.0	-58.68	389.60	4.74	-53.94
COC1=CC=C(OC)C(C2=NOC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2)=C1	REAL300020144173	1	49	-1.0	-58.69	389.66	4.77	-53.92
COC1=CC=CC(C2=NOC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2)=C1	REAL300020144174	0	45	-1.0	-59.91	364.39	5.24	-54.67
COC1=CC=CC(C2=NOC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2)=C1	REAL300020144174	1	45	-1.0	-59.88	364.45	5.27	-54.61
O=C(CCSCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144175	0	43	-1.0	-45.24	360.80	7.62	-37.62
O=C(CCSCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144175	1	43	-1.0	-45.24	360.85	7.65	-37.59
O=C(C1=C(F)C=CC(O)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144176	0	34	-1.0	-50.54	297.63	1.84	-48.70
O=C(C1=C(F)C=CC(O)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144176	1	34	-1.0	-50.56	297.69	1.86	-48.70
O=C(C1=C(F)C=CC([O-])=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144176	1	33	-2.0	-91.04	294.06	2.59	-88.45
O=C(C1=C(F)C=CC([O-])=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144176	1	33	-2.0	-91.05	294.12	2.61	-88.44
O=C(C(F)=CC1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144177	0	43	-1.0	-37.93	333.12	6.30	-31.63
O=C(C(F)=CC1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144177	1	43	-1.0	-37.95	333.18	6.32	-31.63
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(SC(F)(F)F)=N1	REAL300020144178	0	39	-1.0	-48.89	360.38	5.17	-43.72
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(SC(F)(F)F)=N1	REAL300020144178	1	39	-1.0	-48.88	360.44	5.20	-43.68
O=C(CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020144179	0	38	-1.0	-48.29	340.61	6.49	-41.80
O=C(CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020144179	1	38	-1.0	-48.27	340.67	6.51	-41.76
CC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C=O	REAL300020144180	0	41	-1.0	-49.58	328.73	5.33	-44.25
CC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C=O	REAL300020144180	1	41	-1.0	-49.61	328.79	5.36	-44.25
CC1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020144181	0	33	-1.0	-37.13	298.60	4.63	-32.50
CC1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020144181	1	33	-1.0	-37.14	298.66	4.65	-32.49
CCCOC1=NC(C)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144182	0	45	-1.0	-41.15	361.99	3.79	-37.36
CCCOC1=NC(C)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144182	1	45	-1.0	-41.13	362.05	3.82	-37.31
CCOC1=NC(C)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144183	0	42	-1.0	-41.80	341.68	3.01	-38.79
CCOC1=NC(C)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144183	1	42	-1.0	-41.84	341.74	3.03	-38.81
O=C(C1=NC(Br)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144184	0	32	-1.0	-46.59	292.94	3.95	-42.64
O=C(C1=NC(Br)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144184	1	32	-1.0	-46.60	292.88	3.93	-42.67
O=C(C1=NC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144185	0	32	-1.0	-40.85	283.96	3.92	-36.93
O=C(C1=NC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144185	1	32	-1.0	-40.80	283.91	3.89	-36.91
O=C(C1=CC=C(C2=NOC(C(F)F)=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144186	0	41	-1.0	-47.68	355.88	4.08	-43.60
O=C(C1=CC=C(C2=NOC(C(F)F)=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144186	1	41	-1.0	-47.70	355.82	4.05	-43.65
CC(C)(C)OC(=O)C1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144187	0	46	-1.0	-49.99	366.94	4.98	-45.01
CC(C)(C)OC(=O)C1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144187	1	46	-1.0	-49.97	366.99	5.01	-44.96
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144188	0	53	-1.0	-50.59	410.00	5.32	-45.27
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144188	1	53	-1.0	-50.59	410.05	5.35	-45.24
O=C(CC1=CC=CC(C(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144189	0	39	-1.0	-50.50	328.84	6.37	-44.13
O=C(CC1=CC=CC(C(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144189	1	39	-1.0	-50.51	328.89	6.39	-44.12
C=CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020144190	0	57	-1.0	-56.41	413.85	6.72	-49.69
C=CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020144190	1	57	-1.0	-56.39	413.90	6.74	-49.65
O=C(C1CC(C2=CC=CN=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144191	0	40	-1.0	-56.36	330.00	4.20	-52.16
O=C(C1CC(C2=CC=CN=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144191	1	40	-1.0	-56.29	329.94	4.17	-52.12
CC(C)(C)N1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020144192	0	41	-1.0	-46.43	328.05	3.29	-43.14
CC(C)(C)N1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020144192	1	41	-1.0	-46.40	327.99	3.27	-43.13
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144193	0	49	0.0	-77.24	372.77	7.42	-69.82
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144193	1	49	0.0	-77.22	372.83	7.45	-69.77
O=C(C1=CC(Br)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144194	0	30	-1.0	-36.05	270.48	1.78	-34.27
O=C(C1=CC(Br)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144194	1	30	-1.0	-36.03	270.54	1.81	-34.22
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144195	0	58	-1.0	-48.53	436.12	2.64	-45.89
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144195	1	58	-1.0	-48.51	436.18	2.67	-45.84
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144195	1	59	0.0	-70.15	437.73	4.86	-65.29
CC(C)N1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144196	0	45	-1.0	-38.33	332.88	2.15	-36.18
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144196	1	46	0.0	-64.84	330.75	4.35	-60.49
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144196	1	46	0.0	-46.15	330.87	4.38	-41.77
CC(C)N1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144196	1	45	-1.0	-38.33	332.93	2.17	-36.16
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144196	1	46	0.0	-64.87	330.80	4.38	-60.49
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144196	1	46	0.0	-46.16	330.92	4.40	-41.76
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)C=C1Cl	REAL300020144197	0	39	-1.0	-43.12	323.47	6.15	-36.97
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)C=C1Cl	REAL300020144197	1	39	-1.0	-43.06	323.53	6.18	-36.88
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2Cl)=NO1	REAL300020144198	0	45	-1.0	-43.34	379.44	7.67	-35.67
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2Cl)=NO1	REAL300020144198	1	45	-1.0	-43.31	379.38	7.64	-35.67
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=NO1	REAL300020144199	0	45	-1.0	-44.40	372.38	7.18	-37.22
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=NO1	REAL300020144199	1	45	-1.0	-44.40	372.32	7.16	-37.24
O=C(NC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1)C1CC1	REAL300020144200	0	50	-1.0	-48.48	381.84	5.20	-43.28
O=C(NC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1)C1CC1	REAL300020144200	1	50	-1.0	-48.46	381.90	5.23	-43.23
CN(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OCC1=CC=CC=C1	REAL300020144201	0	50	-1.0	-50.09	408.00	6.76	-43.33
CN(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OCC1=CC=CC=C1	REAL300020144201	1	50	-1.0	-50.05	408.06	6.78	-43.27
N#CCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020144202	0	43	-1.0	-50.10	349.43	7.09	-43.01
N#CCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020144202	1	43	-1.0	-50.05	349.49	7.11	-42.94
O=C(C1COC2=CC=C(Cl)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144203	0	38	-1.0	-49.27	321.00	4.75	-44.52
O=C(C1COC2=CC=C(Cl)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144203	1	38	-1.0	-49.28	321.05	4.78	-44.50
COC1=CC(C)=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144204	0	39	-1.0	-44.77	315.85	4.25	-40.52
COC1=CC(C)=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144204	1	39	-1.0	-44.77	315.79	4.22	-40.55
O=C(C1=CC=NN1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144205	0	40	-1.0	-47.48	323.37	5.51	-41.97
O=C(C1=CC=NN1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144205	1	40	-1.0	-47.47	323.32	5.48	-41.99
CN1C=C(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020144206	0	41	-1.0	-48.41	341.33	3.95	-44.46
CN1C=C(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020144206	1	41	-1.0	-48.37	341.39	3.97	-44.40
CN(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144207	0	47	-1.0	-55.39	390.99	3.40	-51.99
CN(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144207	1	47	-1.0	-55.37	391.05	3.42	-51.95
CS(=O)(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020144208	0	39	-1.0	-44.21	308.80	1.03	-43.18
CS(=O)(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020144208	1	39	-1.0	-44.22	308.86	1.06	-43.16
O=C(C1CCN(CC(F)(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144209	0	41	-1.0	-44.77	325.85	2.33	-42.44
O=C(C1CCN(CC(F)(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144209	1	41	-1.0	-44.80	325.91	2.36	-42.44
O=C(C1=CC=C(CO)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144210	0	37	-1.0	-44.62	306.96	1.98	-42.64
O=C(C1=CC=C(CO)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144210	1	37	-1.0	-44.66	307.02	2.01	-42.65
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144211	0	51	0.0	-76.64	376.19	7.27	-69.37
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144211	1	51	0.0	-76.66	376.25	7.30	-69.36
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300020144212	0	54	-1.0	-49.21	421.54	6.72	-42.49
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300020144212	1	54	-1.0	-49.24	421.60	6.75	-42.49
CCSCC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144213	0	43	-1.0	-46.61	354.38	7.17	-39.44
CCSCC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144213	1	43	-1.0	-46.60	354.43	7.19	-39.41
O=C(C1=CN=NN1C1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144214	0	39	-1.0	-46.89	325.67	4.12	-42.77
O=C(C1=CN=NN1C1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144214	1	39	-1.0	-46.83	325.62	4.09	-42.74
CS(=O)(=O)CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020144215	0	48	-1.0	-62.76	394.43	4.02	-58.74
CS(=O)(=O)CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020144215	1	48	-1.0	-62.78	394.49	4.04	-58.74
CCCC(CCCS(C)(=O)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144216	0	50	-1.0	-55.00	398.65	3.36	-51.64
CCCC(CCCS(C)(=O)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144216	1	50	-1.0	-55.02	398.71	3.39	-51.63
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OCC(C)C)=C1	REAL300020144217	0	50	-1.0	-41.04	392.37	5.70	-35.34
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OCC(C)C)=C1	REAL300020144217	1	50	-1.0	-40.99	392.43	5.72	-35.27
O=C(C1CC2=CC(Br)=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144218	0	38	-1.0	-48.75	327.12	6.12	-42.63
O=C(C1CC2=CC(Br)=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144218	1	38	-1.0	-48.76	327.18	6.14	-42.62
O=C(CCC1=CC2=CC=CC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144219	0	44	-1.0	-48.41	357.30	6.62	-41.79
O=C(CCC1=CC2=CC=CC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144219	1	44	-1.0	-48.44	357.25	6.60	-41.84
CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020144220	0	40	-1.0	-48.94	328.57	3.38	-45.56
CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020144220	1	40	-1.0	-48.98	328.63	3.41	-45.57
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2Br)CC1	REAL300020144221	0	40	-1.0	-48.31	334.81	6.74	-41.57
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2Br)CC1	REAL300020144221	1	40	-1.0	-48.26	334.87	6.77	-41.49
O=C(C=CC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144222	0	39	-1.0	-45.15	335.53	5.88	-39.27
O=C(C=CC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144222	1	39	-1.0	-45.15	335.58	5.90	-39.25
N#CC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144223	0	43	-1.0	-45.76	352.98	6.86	-38.90
N#CC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144223	1	43	-1.0	-45.74	353.04	6.88	-38.86
CC(NC(=O)OC(C)(C)C)C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144224	0	52	-1.0	-51.28	396.42	3.80	-47.48
CC(NC(=O)OC(C)(C)C)C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144224	1	52	-1.0	-51.26	396.47	3.83	-47.43
CCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020144225	0	46	-1.0	-47.81	369.35	6.28	-41.53
CCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020144225	1	46	-1.0	-47.75	369.29	6.26	-41.49
CC(C)(C)OC(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144226	0	44	-1.0	-44.44	345.06	5.29	-39.15
CC(C)(C)OC(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144226	1	44	-1.0	-44.44	345.12	5.31	-39.13
CC(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020144227	0	52	-1.0	-46.75	402.45	4.12	-42.63
CC(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020144227	1	52	-1.0	-46.74	402.51	4.15	-42.59
CCCOC1=CC(OC)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144228	0	47	-1.0	-40.93	372.25	5.03	-35.90
CCCOC1=CC(OC)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144228	1	47	-1.0	-40.93	372.31	5.06	-35.87
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC(C)C)=C1	REAL300020144229	0	47	-1.0	-41.12	368.83	4.92	-36.20
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC(C)C)=C1	REAL300020144229	1	47	-1.0	-41.17	368.89	4.95	-36.22
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1F	REAL300020144230	0	42	-1.0	-50.06	334.69	6.29	-43.77
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1F	REAL300020144230	1	42	-1.0	-50.03	334.75	6.32	-43.71
CCOC(=O)C1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020144231	0	45	-1.0	-55.43	355.35	6.26	-49.17
CCOC(=O)C1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020144231	1	45	-1.0	-55.42	355.40	6.29	-49.13
O=C(C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144232	0	43	-1.0	-45.77	362.49	7.36	-38.41
O=C(C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144232	1	43	-1.0	-45.75	362.55	7.38	-38.37
CC(C)N1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020144233	0	49	-1.0	-46.76	387.10	7.08	-39.68
CC(C)N1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020144233	1	49	-1.0	-46.72	387.04	7.05	-39.67
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OCCOC(C)C)=C1	REAL300020144234	0	54	-1.0	-43.64	426.51	5.30	-38.34
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OCCOC(C)C)=C1	REAL300020144234	1	54	-1.0	-43.59	426.57	5.33	-38.26
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144235	0	45	0.0	-56.84	345.40	6.33	-50.51
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144235	1	45	0.0	-56.85	345.46	6.35	-50.50
O=C(C1=CC(O)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144236	0	34	-1.0	-48.29	293.64	2.02	-46.27
O=C(C1=CC(O)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144236	1	34	-1.0	-48.27	293.70	2.05	-46.22
COC(=CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144237	0	41	-1.0	-43.27	334.77	5.61	-37.66
COC(=CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144237	1	41	-1.0	-43.31	334.83	5.63	-37.68
NC(=O)C1=CC=CC=C1NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144238	0	42	-1.0	-56.94	336.78	0.85	-56.09
NC(=O)C1=CC=CC=C1NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144238	1	42	-1.0	-56.96	336.84	0.87	-56.09
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(Br)S1	REAL300020144239	0	32	-1.0	-41.33	293.12	3.69	-37.64
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(Br)S1	REAL300020144239	1	32	-1.0	-41.34	293.07	3.66	-37.68
C[NH+](C)CCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020144240	0	55	0.0	-73.02	426.15	7.74	-65.28
C[NH+](C)CCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020144240	1	55	0.0	-73.03	426.09	7.72	-65.31
O=C(C1=CC=CC(C2=NOC(C(F)(F)F)=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144241	0	41	-1.0	-44.14	361.86	4.17	-39.97
O=C(C1=CC=CC(C2=NOC(C(F)(F)F)=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144241	1	41	-1.0	-44.13	361.80	4.14	-39.99
O=C(C1=C(C2CC2)SC(Br)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144242	0	36	-1.0	-41.77	323.51	5.17	-36.60
O=C(C1=C(C2CC2)SC(Br)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144242	1	36	-1.0	-41.74	323.45	5.15	-36.59
O=C(CC1=CN=CN1CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144243	0	46	-1.0	-54.05	368.83	8.08	-45.97
O=C(CC1=CN=CN1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144243	1	46	-1.0	-54.03	368.89	8.11	-45.92
COC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144244	0	39	-1.0	-39.21	327.67	4.64	-34.57
COC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144244	1	39	-1.0	-39.23	327.73	4.66	-34.57
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OCC1=CC=CC=C1	REAL300020144245	0	47	-1.0	-53.99	386.67	6.37	-47.62
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OCC1=CC=CC=C1	REAL300020144245	1	47	-1.0	-54.02	386.72	6.39	-47.63
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1C	REAL300020144246	0	42	-1.0	-42.40	341.16	4.94	-37.46
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1C	REAL300020144246	1	42	-1.0	-42.38	341.22	4.97	-37.41
O=C(CCCCCN1C(=O)C2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144247	0	52	-1.0	-55.68	425.41	7.40	-48.28
O=C(CCCCCN1C(=O)C2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144247	1	52	-1.0	-55.70	425.46	7.42	-48.28
CCOC1=NC=CC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144248	0	42	-1.0	-48.82	342.61	2.84	-45.98
CCOC1=NC=CC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144248	1	42	-1.0	-48.82	342.66	2.87	-45.95
CC(C)(C)N1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020144249	0	52	-1.0	-48.55	388.16	6.80	-41.75
CC(C)(C)N1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020144249	1	52	-1.0	-48.62	388.10	6.78	-41.84
CC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020144250	0	39	-1.0	-47.33	327.64	6.44	-40.89
CC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020144250	1	39	-1.0	-47.32	327.69	6.47	-40.85
CC(O)(CN1CC2=CC=CC=C2C1=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144251	0	48	-1.0	-48.91	376.73	3.16	-45.75
CC(O)(CN1CC2=CC=CC=C2C1=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144251	1	48	-1.0	-48.90	376.78	3.18	-45.72
O=C(C1=CN=C2CCCCN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144252	0	40	-1.0	-46.00	309.93	4.44	-41.56
O=C(C1=CN=C2CCCCN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144252	1	40	-1.0	-45.99	309.99	4.47	-41.52
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1CCCC1	REAL300020144253	0	49	-1.0	-45.68	378.44	6.33	-39.35
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1CCCC1	REAL300020144253	1	49	-1.0	-45.61	378.49	6.35	-39.26
CCCCS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144254	0	48	-1.0	-51.78	395.62	4.45	-47.33
CCCCS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144254	1	48	-1.0	-51.81	395.68	4.47	-47.34
O=C(C1=CC=C(OCC(F)(F)F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144255	0	39	-1.0	-39.95	335.40	4.21	-35.74
O=C(C1=CC=C(OCC(F)(F)F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144255	1	39	-1.0	-39.91	335.35	4.18	-35.73
CC1=C(Br)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1C	REAL300020144256	0	39	-1.0	-56.05	334.03	4.35	-51.70
CC1=C(Br)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1C	REAL300020144256	1	39	-1.0	-56.08	334.08	4.38	-51.70
CC(C)(C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C(F)(F)F	REAL300020144257	0	45	-1.0	-44.95	359.82	6.96	-37.99
CC(C)(C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C(F)(F)F	REAL300020144257	1	45	-1.0	-44.94	359.88	6.99	-37.95
COC1=CC=C(C(=O)CCCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144258	0	54	-1.0	-57.03	430.11	7.74	-49.29
COC1=CC=C(C(=O)CCCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144258	1	54	-1.0	-57.02	430.17	7.77	-49.25
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020144259	0	36	-1.0	-38.22	306.77	5.57	-32.65
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020144259	1	36	-1.0	-38.20	306.83	5.60	-32.60
CCN1N=NC2=C1CCC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020144260	0	45	-1.0	-50.86	352.13	4.23	-46.63
CCN1N=NC2=C1CCC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020144260	1	45	-1.0	-50.86	352.19	4.25	-46.61
O=C(C1=CC2=CC=CC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144261	0	38	-1.0	-47.24	311.28	4.83	-42.41
O=C(C1=CC2=CC=CC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144261	1	38	-1.0	-47.28	311.22	4.81	-42.47
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(Br)=N1	REAL300020144262	0	32	-1.0	-35.81	296.24	2.80	-33.01
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(Br)=N1	REAL300020144262	1	32	-1.0	-35.81	296.30	2.82	-32.99
O=C(C1CCCS(=O)(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144263	0	39	-1.0	-50.13	314.48	0.92	-49.21
O=C(C1CCCS(=O)(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144263	1	39	-1.0	-50.12	314.54	0.95	-49.17
O=C(C1=C(C(F)(F)F)OC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144264	0	32	-1.0	-39.59	280.05	1.55	-38.04
O=C(C1=C(C(F)(F)F)OC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144264	1	32	-1.0	-39.57	279.99	1.52	-38.05
O=C(C1=CC=C2C(=C1)CCCCC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144265	0	45	-1.0	-39.14	353.00	6.59	-32.55
O=C(C1=CC=C2C(=C1)CCCCC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144265	1	45	-1.0	-39.14	353.05	6.62	-32.52
O=C(C1=CC=C2OC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144267	0	36	-1.0	-46.38	302.35	1.95	-44.43
O=C(C1=CC=C2OC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144267	1	36	-1.0	-46.38	302.41	1.97	-44.41
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1CC1=CC=NC=C1	REAL300020144268	0	44	-1.0	-50.08	359.99	3.90	-46.18
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1CC1=CC=NC=C1	REAL300020144268	1	44	-1.0	-50.10	360.05	3.92	-46.18
CC1=CC(Br)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020144269	0	36	-1.0	-44.00	324.88	6.09	-37.91
CC1=CC(Br)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020144269	1	36	-1.0	-44.02	324.94	6.11	-37.91
O=C(C1=CC(=O)C2=CC=C(F)C=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144270	0	38	-1.0	-38.26	325.41	5.07	-33.19
O=C(C1=CC(=O)C2=CC=C(F)C=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144270	1	38	-1.0	-38.24	325.47	5.09	-33.15
COCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144271	0	50	-1.0	-39.69	390.21	1.33	-38.36
COCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144271	1	50	-1.0	-39.68	390.26	1.35	-38.33
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144272	0	48	-1.0	-46.48	392.39	5.72	-40.76
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144272	1	48	-1.0	-46.45	392.44	5.74	-40.71
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOC1	REAL300020144273	0	51	-1.0	-55.64	385.40	2.35	-53.29
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOC1	REAL300020144273	1	51	-1.0	-55.61	385.46	2.38	-53.23
N#CC1=CC(F)=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300020144274	0	41	-1.0	-49.82	346.12	6.75	-43.07
N#CC1=CC(F)=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020144274	1	41	-1.0	-49.85	346.18	6.77	-43.08
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC(F)=CC(C#N)=C1	REAL300020144275	0	43	-1.0	-47.66	340.61	6.42	-41.24
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC(F)=CC(C#N)=C1	REAL300020144275	1	43	-1.0	-47.66	340.66	6.45	-41.21
NC(=O)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CO1	REAL300020144276	0	37	-1.0	-52.72	311.38	0.16	-52.56
NC(=O)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CO1	REAL300020144276	1	37	-1.0	-52.73	311.44	0.19	-52.54
CC(CNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144277	0	49	-1.0	-51.38	378.84	2.85	-48.53
CC(CNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144277	1	49	-1.0	-51.38	378.90	2.88	-48.50
O=C(C1=CC=CC2=CC=CC(Br)=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144278	0	39	-1.0	-50.44	324.58	7.55	-42.89
O=C(C1=CC=CC2=CC=CC(Br)=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144278	1	39	-1.0	-50.41	324.64	7.57	-42.84
CC(OC1=CC=C(C=O)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144279	0	42	-1.0	-55.56	341.15	5.46	-50.10
CC(OC1=CC=C(C=O)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144279	1	42	-1.0	-55.55	341.20	5.49	-50.06
O=C(C1=CN=C(Cl)C(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144280	0	32	-1.0	-35.44	301.08	3.67	-31.77
O=C(C1=CN=C(Cl)C(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144280	1	32	-1.0	-35.42	301.03	3.65	-31.77
O=C(C1=CC=C2OC(=O)NC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144281	0	35	-1.0	-41.74	296.51	2.00	-39.74
O=C(C1=CC=C2OC(=O)NC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144281	1	35	-1.0	-41.72	296.57	2.02	-39.70
CC(C)C1=CC=C2OC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020144282	0	45	-1.0	-40.88	359.42	6.87	-34.01
CC(C)C1=CC=C2OC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020144282	1	45	-1.0	-40.92	359.48	6.90	-34.02
CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144283	0	45	-1.0	-57.32	330.88	4.12	-53.20
CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144283	1	45	-1.0	-57.35	330.94	4.15	-53.20
O=C(C1=C2CCOCC2=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144284	0	38	-1.0	-39.86	303.35	2.72	-37.14
O=C(C1=C2CCOCC2=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144284	1	38	-1.0	-39.88	303.41	2.75	-37.13
O=C(C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144285	0	48	-1.0	-49.74	390.52	8.78	-40.96
O=C(C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144285	1	48	-1.0	-49.67	390.46	8.75	-40.92
CC1=CN=C(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020144286	0	39	-1.0	-56.75	326.56	1.38	-55.37
CC1=CN=C(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020144286	1	39	-1.0	-56.75	326.62	1.41	-55.34
COCC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144287	0	36	-1.0	-37.86	310.61	1.35	-36.51
COCC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144287	1	36	-1.0	-37.86	310.66	1.37	-36.49
O=C(NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1)C1CC1	REAL300020144288	0	43	-1.0	-50.24	351.01	4.56	-45.68
O=C(NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1)C1CC1	REAL300020144288	1	43	-1.0	-50.20	350.95	4.54	-45.66
O=C(C1=CC=C(C(F)(F)F)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144289	0	33	-1.0	-36.65	299.76	4.55	-32.10
O=C(C1=CC=C(C(F)(F)F)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144289	1	33	-1.0	-36.69	299.82	4.57	-32.12
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144290	0	52	0.0	-68.94	394.05	8.49	-60.45
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144290	1	52	0.0	-71.16	391.28	8.19	-62.97
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144290	1	52	0.0	-68.93	394.10	8.52	-60.41
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144290	1	52	0.0	-71.16	391.33	8.22	-62.94
O=C(NC1=CC=CC=C1)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144291	0	47	-1.0	-59.30	379.62	6.40	-52.90
O=C(NC1=CC=CC=C1)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144291	1	47	-1.0	-59.26	379.68	6.42	-52.84
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(C(C)C)O1	REAL300020144292	0	41	-1.0	-41.47	329.59	3.20	-38.27
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(C(C)C)O1	REAL300020144292	1	41	-1.0	-41.47	329.65	3.23	-38.24
O=C(COC1=CC=C(CO)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144293	0	41	-1.0	-52.54	336.44	2.69	-49.85
O=C(COC1=CC=C(CO)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144293	1	41	-1.0	-52.57	336.49	2.72	-49.85
O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144294	0	40	-1.0	-49.92	322.41	-3.68	-53.60
O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144294	1	40	-1.0	-49.91	322.46	-3.65	-53.56
O=C(C1=C(C(F)(F)F)N=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144295	0	32	-1.0	-46.74	297.28	2.75	-43.99
O=C(C1=C(C(F)(F)F)N=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144295	1	32	-1.0	-46.71	297.22	2.73	-43.98
NS(=O)(=O)CCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144296	0	43	-1.0	-59.32	356.02	-0.22	-59.54
NS(=O)(=O)CCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144296	1	43	-1.0	-59.32	356.08	-0.19	-59.51
O=C(C1CSC(C2=CC=CC=C2O)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144297	0	42	-1.0	-50.49	353.36	2.24	-48.25
O=C(C1CSC(C2=CC=CC=C2O)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144297	1	42	-1.0	-50.50	353.42	2.27	-48.23
CN(C)S(=O)(=O)N(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144298	0	42	-1.0	-58.57	346.17	0.24	-58.33
CN(C)S(=O)(=O)N(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144298	1	42	-1.0	-58.56	346.23	0.27	-58.29
NS(=O)(=O)CCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144299	0	46	-1.0	-55.77	377.52	0.56	-55.21
NS(=O)(=O)CCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144299	1	46	-1.0	-55.70	377.58	0.59	-55.11
CCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)S(N)(=O)=O	REAL300020144300	0	40	-1.0	-44.48	320.32	-0.86	-45.34
CCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)S(N)(=O)=O	REAL300020144300	1	40	-1.0	-44.48	320.38	-0.83	-45.31
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144301	0	41	-1.0	-51.35	348.84	-1.17	-52.52
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144301	1	41	-1.0	-51.35	348.90	-1.15	-52.50
CN1C=NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C21	REAL300020144302	0	38	-1.0	-48.44	313.20	5.79	-42.65
CN1C=NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C21	REAL300020144302	1	38	-1.0	-48.42	313.14	5.77	-42.65
COC1=CC2=C(C=C1OC)N(C)C(=O)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=N2	REAL300020144303	0	49	-1.0	-56.42	390.65	4.61	-51.81
COC1=CC2=C(C=C1OC)N(C)C(=O)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=N2	REAL300020144303	1	49	-1.0	-56.43	390.59	4.59	-51.84
O=C(C1=CN2C=CC(Br)=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144304	0	36	-1.0	-46.25	318.95	6.43	-39.82
O=C(C1=CN2C=CC(Br)=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144304	1	36	-1.0	-46.24	318.89	6.40	-39.84
CNS(=O)(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144305	0	46	-1.0	-50.43	363.28	-0.25	-50.68
CNS(=O)(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144305	1	46	-1.0	-50.44	363.33	-0.22	-50.66
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144306	0	52	0.0	-46.42	391.86	8.16	-38.26
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144306	1	52	0.0	-46.45	391.92	8.18	-38.27
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144307	0	50	-1.0	-55.25	388.79	5.09	-50.16
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144307	1	50	-1.0	-55.26	388.84	5.11	-50.15
CC1=CC=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(Cl)N=C12	REAL300020144308	0	41	-1.0	-49.31	346.90	6.10	-43.21
CC1=CC=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(Cl)N=C12	REAL300020144308	1	41	-1.0	-49.35	346.84	6.07	-43.28
CS(=O)(=O)C1=NC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020144309	0	37	-1.0	-51.79	322.28	-0.03	-51.82
CS(=O)(=O)C1=NC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020144309	1	37	-1.0	-51.77	322.23	-0.05	-51.82
O=C(C1CCCN(CC(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144310	0	44	-1.0	-46.36	341.07	3.50	-42.86
O=C(C1CCCN(CC(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144310	1	44	-1.0	-46.41	341.13	3.53	-42.88
O=C(C1=CC(Br)=CC2=C1NC(=O)N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144311	0	37	-1.0	-47.48	329.22	1.90	-45.58
O=C(C1=CC(Br)=CC2=C1NC(=O)N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144311	1	37	-1.0	-47.43	329.28	1.93	-45.50
N#CC1=CC=C(N2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2)C(F)=C1	REAL300020144312	0	46	-1.0	-38.06	376.35	5.68	-32.38
N#CC1=CC=C(N2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2)C(F)=C1	REAL300020144312	1	46	-1.0	-38.08	376.41	5.71	-32.37
NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC(F)(F)F	REAL300020144313	0	39	-1.0	-38.15	328.54	2.17	-35.98
NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC(F)(F)F	REAL300020144313	1	39	-1.0	-38.12	328.60	2.20	-35.92
CC(C)(C)OC(=O)N1CCOCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144314	0	54	-1.0	-44.35	402.09	3.76	-40.59
CC(C)(C)OC(=O)N1CCOCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144314	1	54	-1.0	-44.31	402.15	3.79	-40.52
N#CC1=CC=C(N2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)C(F)=C1	REAL300020144315	0	49	-1.0	-52.94	395.00	6.50	-46.44
N#CC1=CC=C(N2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)C(F)=C1	REAL300020144315	1	49	-1.0	-52.93	395.06	6.52	-46.41
CC1=CC=NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020144316	0	41	-1.0	-39.84	329.12	5.35	-34.49
CC1=CC=NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020144316	1	41	-1.0	-39.87	329.18	5.37	-34.50
CN1C(=O)C2=CC=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144317	0	42	-1.0	-45.83	343.77	5.35	-40.48
CN1C(=O)C2=CC=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144317	1	42	-1.0	-45.82	343.82	5.37	-40.45
O=C(C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144318	0	43	-1.0	-45.75	366.79	6.57	-39.18
O=C(C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144318	1	43	-1.0	-45.73	366.73	6.54	-39.19
O=C(C=CC1=CC=C(F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144319	0	37	-1.0	-46.57	316.16	6.05	-40.52
O=C(C=CC1=CC=C(F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144319	1	37	-1.0	-46.53	316.22	6.07	-40.46
CCC1=CC=CC=C1OCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144320	0	46	-1.0	-46.17	366.23	6.57	-39.60
CCC1=CC=CC=C1OCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144320	1	46	-1.0	-46.21	366.29	6.59	-39.62
O=C(C(O)C1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144321	0	40	-1.0	-44.00	336.26	4.14	-39.86
O=C(C(O)C1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144321	1	40	-1.0	-44.00	336.32	4.17	-39.83
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1OC	REAL300020144322	0	44	-1.0	-47.27	349.41	4.44	-42.83
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1OC	REAL300020144322	1	44	-1.0	-47.29	349.47	4.47	-42.82
O=C(C1=CC(F)=C(C(F)(F)F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144323	0	36	-1.0	-43.68	320.99	5.56	-38.12
O=C(C1=CC(F)=C(C(F)(F)F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144323	1	36	-1.0	-43.64	321.04	5.58	-38.06
COCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)C=C1C	REAL300020144324	0	46	-1.0	-56.34	361.28	4.49	-51.85
COCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)C=C1C	REAL300020144324	1	46	-1.0	-56.36	361.34	4.51	-51.85
CC1=NC=C2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CN21	REAL300020144325	0	43	-1.0	-38.79	333.68	5.23	-33.56
CC1=NC=C2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CN21	REAL300020144325	1	43	-1.0	-38.79	333.74	5.25	-33.54
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CN21	REAL300020144325	1	44	0.0	-64.07	339.37	5.77	-58.30
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CN21	REAL300020144325	1	44	0.0	-64.11	339.42	5.80	-58.31
O=C(C1=CC=C(OC(F)(F)F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144326	0	36	-1.0	-40.00	310.89	3.23	-36.77
O=C(C1=CC=C(OC(F)(F)F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144326	1	36	-1.0	-39.99	310.83	3.20	-36.79
CC1=NN=C(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144327	0	38	-1.0	-57.04	330.34	2.63	-54.41
CC1=NN=C(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144327	1	38	-1.0	-57.01	330.40	2.65	-54.36
COC1=CC=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300020144328	0	44	-1.0	-51.26	348.35	5.57	-45.69
COC1=CC=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020144328	1	44	-1.0	-51.28	348.40	5.60	-45.68
CCC1=CC=C2OC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020144329	0	42	-1.0	-41.05	342.15	6.39	-34.66
CCC1=CC=C2OC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020144329	1	42	-1.0	-41.03	342.20	6.41	-34.62
O=C(C1=CC(F)=C(Br)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144330	0	33	-1.0	-40.85	312.36	5.55	-35.30
O=C(C1=CC(F)=C(Br)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144330	1	33	-1.0	-40.87	312.42	5.58	-35.29
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1O	REAL300020144331	0	39	-1.0	-52.65	318.32	3.36	-49.29
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1O	REAL300020144331	1	39	-1.0	-52.69	318.38	3.39	-49.30
CCOC(=O)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC=CC=C21	REAL300020144332	0	49	-1.0	-47.51	397.91	7.18	-40.33
CCOC(=O)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC=CC=C21	REAL300020144332	1	49	-1.0	-47.57	397.96	7.20	-40.37
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144333	0	55	0.0	-77.92	413.42	9.12	-68.80
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144333	1	55	0.0	-68.39	404.39	8.98	-59.41
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144333	1	55	0.0	-77.94	413.48	9.15	-68.79
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144333	1	55	0.0	-68.40	404.44	9.01	-59.39
O=C(C1=COC(SC2=NC=CC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144334	0	38	-1.0	-47.72	335.20	2.38	-45.34
O=C(C1=COC(SC2=NC=CC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144334	1	38	-1.0	-47.74	335.14	2.36	-45.38
COC(=O)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC=CC=C21	REAL300020144335	0	46	-1.0	-47.44	376.04	6.26	-41.18
COC(=O)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC=CC=C21	REAL300020144335	1	46	-1.0	-47.46	376.10	6.28	-41.18
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)CC1	REAL300020144336	0	60	0.0	-72.19	420.91	5.75	-66.44
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)CC1	REAL300020144336	1	60	0.0	-72.19	420.97	5.78	-66.41
CC(CN1C=CC2=CC=CC=C21)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144337	0	46	-1.0	-44.57	362.87	7.80	-36.77
CC(CN1C=CC2=CC=CC=C21)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144337	1	46	-1.0	-44.55	362.93	7.83	-36.72
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144338	0	35	-2.0	-89.91	309.27	1.70	-88.21
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144338	1	35	-2.0	-89.89	309.33	1.73	-88.16
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(C(C)C)O1	REAL300020144339	0	42	-1.0	-44.59	336.30	5.55	-39.04
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(C(C)C)O1	REAL300020144339	1	42	-1.0	-44.57	336.36	5.58	-38.99
O=C(C(CO)C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144340	0	40	-1.0	-45.07	338.76	3.03	-42.04
O=C(C(CO)C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144340	1	40	-1.0	-45.07	338.81	3.06	-42.01
CC(C)OC1=NC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144341	0	42	-1.0	-51.52	339.17	3.33	-48.19
CC(C)OC1=NC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144341	1	42	-1.0	-51.52	339.11	3.31	-48.21
O=C(C1=CC=C(C(F)(F)F)C=C1N1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144342	0	48	-1.0	-46.33	382.19	5.97	-40.36
O=C(C1=CC=C(C(F)(F)F)C=C1N1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144342	1	48	-1.0	-46.32	382.25	6.00	-40.32
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(Br)C(=O)N1	REAL300020144343	0	36	-1.0	-46.72	317.30	2.70	-44.02
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(Br)C(=O)N1	REAL300020144343	1	36	-1.0	-46.73	317.36	2.73	-44.00
O=C(C1=NC=C(CC2=CC=CC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144344	0	42	-1.0	-47.11	349.68	5.37	-41.74
O=C(C1=NC=C(CC2=CC=CC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144344	1	42	-1.0	-47.09	349.62	5.35	-41.74
CC1=CSC(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020144345	0	38	-1.0	-42.98	320.35	3.64	-39.34
CC1=CSC(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020144345	1	38	-1.0	-42.94	320.41	3.66	-39.28
N#CC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144346	0	34	-1.0	-47.05	303.46	5.27	-41.78
N#CC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144346	1	34	-1.0	-47.05	303.51	5.29	-41.76
CC(C)CC1=CC=CC(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144347	0	51	-1.0	-45.63	390.86	8.45	-37.18
CC(C)CC1=CC=CC(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144347	1	51	-1.0	-45.65	390.92	8.48	-37.17
O=C(C1CCCC2CCCCC21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144348	0	49	-1.0	-46.18	346.39	6.97	-39.21
O=C(C1CCCC2CCCCC21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144348	1	49	-1.0	-46.17	346.44	6.99	-39.18
O=C(C1CCS(=O)(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144349	0	43	-1.0	-56.25	348.48	2.93	-53.32
O=C(C1CCS(=O)(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144349	1	43	-1.0	-56.26	348.54	2.96	-53.30
O=C(C1=CC(C(F)(F)F)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144350	0	33	-1.0	-35.77	290.14	2.27	-33.50
O=C(C1=CC(C(F)(F)F)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144350	1	33	-1.0	-35.78	290.20	2.29	-33.49
CC1=NC(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=CS1	REAL300020144351	0	42	-1.0	-48.62	354.88	5.87	-42.75
CC1=NC(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=CS1	REAL300020144351	1	42	-1.0	-48.62	354.82	5.84	-42.78
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Br)=C1OC	REAL300020144352	0	41	-1.0	-42.96	353.54	4.41	-38.55
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Br)=C1OC	REAL300020144352	1	41	-1.0	-42.95	353.60	4.44	-38.51
CN(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020144353	0	49	-1.0	-49.06	381.11	4.81	-44.25
CN(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020144353	1	49	-1.0	-49.01	381.17	4.83	-44.18
CC1=CC(CN2N=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C)=NO1	REAL300020144354	0	44	-1.0	-54.64	362.64	3.85	-50.79
CC1=CC(CN2N=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C)=NO1	REAL300020144354	1	44	-1.0	-54.66	362.70	3.88	-50.78
O=C(C1=CSC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144355	0	30	-1.0	-47.48	281.44	4.07	-43.41
O=C(C1=CSC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144355	1	30	-1.0	-47.50	281.50	4.10	-43.40
O=C(C(C1CCC1)C1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144356	0	46	-1.0	-46.92	342.18	6.67	-40.25
O=C(C(C1CCC1)C1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144356	1	46	-1.0	-46.87	342.24	6.70	-40.17
COC1=CC(C)=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144357	0	40	-1.0	-47.61	338.99	5.13	-42.48
COC1=CC(C)=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144357	1	40	-1.0	-47.57	339.05	5.16	-42.41
COC1=CC=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1F	REAL300020144358	0	43	-1.0	-50.16	350.84	5.57	-44.59
COC1=CC=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1F	REAL300020144358	1	43	-1.0	-50.20	350.89	5.60	-44.60
CCC(C)(C)C1CCC2(CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144359	0	58	-1.0	-46.42	408.11	8.70	-37.72
CCC(C)(C)C1CCC2(CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144359	1	58	-1.0	-46.43	408.17	8.72	-37.71
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC(F)=CC(Br)=C2)CC1	REAL300020144360	0	40	-1.0	-47.31	346.13	6.96	-40.35
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC(F)=CC(Br)=C2)CC1	REAL300020144360	1	40	-1.0	-47.29	346.19	6.99	-40.30
CC(O)(CSC1=CC=CC(F)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144361	0	44	-1.0	-42.66	363.05	4.14	-38.52
CC(O)(CSC1=CC=CC(F)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144361	1	44	-1.0	-42.66	363.10	4.16	-38.50
CN1C=CN=C1C(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020144362	0	42	-1.0	-45.48	348.56	5.00	-40.48
CN1C=CN=C1C(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020144362	1	42	-1.0	-45.50	348.62	5.02	-40.48
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144363	0	46	-1.0	-55.03	363.82	6.64	-48.39
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144363	1	46	-1.0	-55.02	363.88	6.67	-48.35
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144364	0	40	-1.0	-56.05	346.90	-0.24	-56.29
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144364	1	40	-1.0	-56.06	346.84	-0.27	-56.33
O=C(C1=CC([N+](=O)[O-])=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144365	0	35	-1.0	-46.44	302.41	5.12	-41.32
O=C(C1=CC([N+](=O)[O-])=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144365	1	35	-1.0	-46.46	302.47	5.15	-41.31
O=C(C1=C(Cl)C(Cl)=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144366	0	29	-1.0	-35.00	287.60	3.04	-31.96
O=C(C1=C(Cl)C(Cl)=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144366	1	29	-1.0	-35.00	287.54	3.01	-31.99
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CN=C2)=NO1	REAL300020144367	0	41	-1.0	-47.95	345.62	4.64	-43.31
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CN=C2)=NO1	REAL300020144367	1	41	-1.0	-48.00	345.56	4.62	-43.38
O=C(CC1=CC=C2N=CSC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144368	0	38	-1.0	-51.18	325.87	4.84	-46.34
O=C(CC1=CC=C2N=CSC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144368	1	38	-1.0	-51.15	325.82	4.82	-46.33
O=C(CCCS(=O)(=O)C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144369	0	45	-1.0	-57.69	393.55	4.55	-53.14
O=C(CCCS(=O)(=O)C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144369	1	45	-1.0	-57.73	393.61	4.58	-53.15
O=C(C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144370	0	42	-1.0	-44.18	344.08	7.12	-37.06
O=C(C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144370	1	42	-1.0	-44.18	344.14	7.15	-37.03
CNC1=NC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020144371	0	39	-1.0	-41.68	331.16	3.59	-38.09
CNC1=NC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020144371	1	39	-1.0	-41.67	331.10	3.57	-38.10
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144372	0	50	-1.0	-51.04	392.24	9.15	-41.89
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144372	1	50	-1.0	-51.03	392.30	9.18	-41.85
CN(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C21	REAL300020144373	0	46	-1.0	-42.81	364.98	5.46	-37.35
CN(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC2=CC=CC=C21	REAL300020144373	1	46	-1.0	-42.77	364.92	5.43	-37.34
CC1=CC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1C1CC1	REAL300020144374	0	43	-1.0	-55.71	338.31	5.58	-50.13
CC1=CC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1C1CC1	REAL300020144374	1	43	-1.0	-55.71	338.37	5.60	-50.11
COC(=O)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CO1	REAL300020144375	0	39	-1.0	-50.92	329.16	4.15	-46.77
COC(=O)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CO1	REAL300020144375	1	39	-1.0	-50.86	329.22	4.18	-46.68
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020144376	0	44	0.0	-52.70	344.57	4.90	-47.80
CN(C)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020144376	1	43	-1.0	-46.78	341.46	2.01	-44.77
CN(C)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020144376	1	43	-1.0	-46.78	341.51	2.03	-44.75
NC1=NC(C2CCCC2)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144377	0	46	-1.0	-41.89	360.15	3.85	-38.04
NC1=NC(C2CCCC2)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144377	1	46	-1.0	-41.90	360.21	3.87	-38.03
O=C(CC1=COC2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144378	0	39	-1.0	-51.24	322.59	5.80	-45.44
O=C(CC1=COC2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144378	1	39	-1.0	-51.26	322.64	5.82	-45.44
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144379	0	46	-1.0	-50.36	372.58	4.75	-45.61
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144379	1	46	-1.0	-50.35	372.64	4.78	-45.57
CC1=C(Br)C=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144380	0	38	-1.0	-40.80	335.02	6.23	-34.57
CC1=C(Br)C=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144380	1	38	-1.0	-40.81	335.08	6.25	-34.56
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1Br	REAL300020144381	0	36	-1.0	-41.59	324.82	6.07	-35.52
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1Br	REAL300020144381	1	36	-1.0	-41.64	324.88	6.10	-35.54
CN1N=CC=C1COCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144382	0	40	-1.0	-55.86	330.01	3.55	-52.31
CN1N=CC=C1COCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144382	1	40	-1.0	-55.88	330.07	3.57	-52.31
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144383	0	48	-1.0	-45.31	381.11	7.89	-37.42
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144383	1	48	-1.0	-45.29	381.16	7.91	-37.38
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020144384	0	40	-2.0	-108.91	341.75	4.28	-104.63
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020144384	1	40	-2.0	-108.92	341.81	4.31	-104.61
CC1=CC2=C(C)C=CN=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144385	0	44	-1.0	-45.48	350.58	6.18	-39.30
CC1=CC2=C(C)C=CN=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144385	1	44	-1.0	-45.46	350.64	6.21	-39.25
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL300020144386	0	41	-1.0	-43.88	346.70	6.16	-37.72
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL300020144386	1	41	-1.0	-43.88	346.76	6.18	-37.70
O=C(C1CCC(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144387	0	42	-1.0	-49.45	332.29	6.00	-43.45
O=C(C1CCC(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144387	1	42	-1.0	-49.47	332.35	6.03	-43.44
O=C(C1=CC(Cl)=CC(F)=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144388	0	33	-1.0	-43.30	312.79	5.59	-37.71
O=C(C1=CC(Cl)=CC(F)=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144388	1	33	-1.0	-43.30	312.84	5.62	-37.68
CC1=CSC(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020144389	0	41	-1.0	-51.02	344.15	4.73	-46.29
CC1=CSC(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020144389	1	41	-1.0	-51.03	344.20	4.76	-46.27
O=C(CSC1=NC=CN1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144390	0	47	-1.0	-48.07	396.76	8.41	-39.66
O=C(CSC1=NC=CN1CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144390	1	47	-1.0	-48.05	396.70	8.38	-39.67
O=CC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020144391	0	42	-1.0	-53.99	351.56	6.59	-47.40
O=CC1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020144391	1	42	-1.0	-53.98	351.62	6.61	-47.37
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12C3C(=O)C4C1C1CC4C3C12	REAL300020144392	0	42	-1.0	-46.22	318.40	5.54	-40.68
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12C3C(=O)C4C1C1CC4C3C12	REAL300020144392	1	42	-1.0	-46.31	318.46	5.56	-40.75
O=C(C1CCN(CC(F)(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144393	0	44	-1.0	-50.03	347.41	3.67	-46.36
O=C(C1CCN(CC(F)(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144393	1	44	-1.0	-50.02	347.46	3.69	-46.33
O=C(C1COCCN1CC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144394	0	42	-1.0	-45.89	335.04	1.34	-44.55
O=C(C1COCCN1CC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144394	1	42	-1.0	-45.90	335.09	1.36	-44.54
COCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020144395	0	36	-1.0	-39.97	307.78	1.27	-38.70
COCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020144395	1	36	-1.0	-40.01	307.84	1.30	-38.71
CS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144396	0	42	-1.0	-61.40	342.80	3.30	-58.10
CS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144396	1	42	-1.0	-61.41	342.85	3.33	-58.08
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1CC1	REAL300020144397	0	42	-1.0	-63.08	330.68	1.85	-61.23
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1CC1	REAL300020144397	1	42	-1.0	-63.09	330.74	1.87	-61.22
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCC2=CC=CC=C2C1	REAL300020144398	0	44	-1.0	-44.72	333.68	4.06	-40.66
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCC2=CC=CC=C2C1	REAL300020144398	1	44	-1.0	-44.75	333.74	4.08	-40.67
O=C(C1=CC(CC2=CC=CC=C2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144399	0	43	-1.0	-44.28	352.04	5.63	-38.65
O=C(C1=CC(CC2=CC=CC=C2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144399	1	43	-1.0	-44.27	352.10	5.65	-38.62
CC(C)(C)C(NC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144400	0	44	-1.0	-43.44	326.77	-0.26	-43.70
CC(C)(C)C(NC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144400	1	44	-1.0	-43.42	326.83	-0.23	-43.65
CC(C)C1=NN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144401	0	37	-1.0	-42.05	314.64	3.14	-38.91
CC(C)C1=NN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144401	1	37	-1.0	-42.06	314.70	3.17	-38.89
O=C(CCCC1=NC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144402	0	38	-1.0	-50.67	322.35	4.14	-46.53
O=C(CCCC1=NC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144402	1	38	-1.0	-50.70	322.41	4.16	-46.54
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020144403	0	39	-1.0	-55.00	334.98	1.96	-53.04
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020144403	1	39	-1.0	-55.02	335.04	1.99	-53.03
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCOC(CC)C1	REAL300020144404	0	51	-1.0	-46.50	374.25	3.37	-43.13
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCOC(CC)C1	REAL300020144404	1	51	-1.0	-46.50	374.31	3.39	-43.11
CCN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC1=CC=CC=C1Cl	REAL300020144405	0	47	-1.0	-49.08	379.61	5.81	-43.27
CCN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1Cl	REAL300020144405	1	47	-1.0	-49.03	379.66	5.84	-43.19
O=C(CC1=CSC(N2CCOCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144406	0	45	-1.0	-51.25	367.54	2.25	-49.00
O=C(CC1=CSC(N2CCOCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144406	1	45	-1.0	-51.26	367.60	2.27	-48.99
CCCCCCCCC(O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144407	0	57	-1.0	-45.10	437.75	6.24	-38.86
CCCCCCCCC(O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144407	1	57	-1.0	-45.10	437.80	6.26	-38.84
O=C(C1=CC2=C(Br)C(F)=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144408	0	37	-1.0	-47.14	327.64	5.55	-41.59
O=C(C1=CC2=C(Br)C(F)=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144408	1	37	-1.0	-47.14	327.70	5.58	-41.56
COC(=O)N[C@@H](CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144409	0	46	-1.0	-43.51	352.69	2.57	-40.94
COC(=O)N[C@@H](CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144409	1	46	-1.0	-43.49	352.74	2.60	-40.89
CC(C)(C)OC(=O)N1CC2CCC1C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020144410	0	57	-1.0	-50.45	412.50	6.35	-44.10
CC(C)(C)OC(=O)N1CC2CCC1C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020144410	1	57	-1.0	-50.47	412.55	6.37	-44.10
O=C(C1=C(F)C=CC(SCC2CC2)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144411	0	44	-1.0	-50.33	379.35	8.10	-42.23
O=C(C1=C(F)C=CC(SCC2CC2)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144411	1	44	-1.0	-50.35	379.40	8.13	-42.22
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020144412	0	49	-1.0	-41.50	386.74	3.74	-37.76
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020144412	1	49	-1.0	-41.51	386.79	3.76	-37.75
O=C(C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144413	0	43	-1.0	-39.78	370.66	6.87	-32.91
O=C(C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144413	1	43	-1.0	-39.77	370.61	6.85	-32.92
CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1(Cl)Cl	REAL300020144414	0	36	-1.0	-42.29	314.15	5.44	-36.85
CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1(Cl)Cl	REAL300020144414	1	36	-1.0	-42.35	314.21	5.46	-36.89
COCC1=NN(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144415	0	40	-1.0	-50.71	327.78	1.86	-48.85
COCC1=NN(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144415	1	40	-1.0	-50.71	327.84	1.88	-48.83
COC1=CC=CC=C1OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020144416	0	47	-1.0	-43.19	384.53	6.27	-36.92
COC1=CC=CC=C1OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020144416	1	47	-1.0	-43.19	384.47	6.24	-36.95
O=C(C1=CC2=CC=NC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144417	0	35	-1.0	-39.11	301.49	4.05	-35.06
O=C(C1=CC2=CC=NC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144417	1	35	-1.0	-39.03	301.43	4.03	-35.00
CC1(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020144418	0	44	-1.0	-47.34	331.25	4.10	-43.24
CC1(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020144418	1	44	-1.0	-47.32	331.30	4.13	-43.19
N#CC1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144419	0	34	-1.0	-49.20	295.07	4.85	-44.35
N#CC1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144419	1	34	-1.0	-49.18	295.12	4.87	-44.31
O=C(C1=CC=CC(C2=CN=CO2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144420	0	39	-1.0	-52.05	325.19	2.87	-49.18
O=C(C1=CC=CC(C2=CN=CO2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144420	1	39	-1.0	-52.05	325.14	2.85	-49.20
O=C(C1=CC=C(C2OCCO2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144421	0	42	-1.0	-47.05	337.79	4.08	-42.97
O=C(C1=CC=C(C2OCCO2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144421	1	42	-1.0	-47.04	337.84	4.11	-42.93
O=C(C1=C(O)C2=CC=CC=C2C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144422	0	39	-1.0	-44.47	318.44	4.36	-40.11
O=C(C1=C(O)C2=CC=CC=C2C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144422	1	39	-1.0	-44.51	318.49	4.38	-40.13
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144422	1	38	-2.0	-103.37	314.87	5.35	-98.02
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144422	1	38	-2.0	-103.32	314.93	5.38	-97.94
CC1=NN=C(CN2N=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C)O1	REAL300020144423	0	43	-1.0	-54.60	358.73	-1.32	-55.92
CC1=NN=C(CN2N=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C)O1	REAL300020144423	1	43	-1.0	-54.65	358.79	-1.29	-55.94
O=C(C1=C(F)C=CC=C1N1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144424	0	40	-1.0	-58.78	335.21	6.04	-52.74
O=C(C1=C(F)C=CC=C1N1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144424	1	40	-1.0	-58.72	335.15	6.01	-52.71
CC(=O)NC1=CC([N+](=O)[O-])=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144425	0	42	-1.0	-43.91	357.09	4.23	-39.68
CC(=O)NC1=CC([N+](=O)[O-])=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144425	1	42	-1.0	-43.90	357.14	4.26	-39.64
O=C(C1=NC2=CC=CC=C2N=C1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144426	0	44	-1.0	-44.87	361.55	5.10	-39.77
O=C(C1=NC2=CC=CC=C2N=C1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144426	1	44	-1.0	-44.89	361.61	5.12	-39.77
CCC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020144427	0	41	-1.0	-52.37	331.04	5.24	-47.13
CCC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020144427	1	41	-1.0	-52.37	331.10	5.27	-47.10
CN1C2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)C(=O)N(C)C1=O	REAL300020144428	0	42	-1.0	-50.53	353.21	3.83	-46.70
CN1C2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)C(=O)N(C)C1=O	REAL300020144428	1	42	-1.0	-50.49	353.26	3.86	-46.63
O=C(C1=CC(F)=C(N2CCOCC2)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144429	0	46	-1.0	-43.49	366.66	3.54	-39.95
O=C(C1=CC(F)=C(N2CCOCC2)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144429	1	46	-1.0	-43.51	366.71	3.57	-39.94
COC1=CC=C(OC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2)C=C1	REAL300020144430	0	47	-1.0	-41.07	383.43	5.65	-35.42
COC1=CC=C(OC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2)C=C1	REAL300020144430	1	47	-1.0	-41.10	383.37	5.62	-35.48
O=C(C(=CC1=CC=CC=C1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144431	0	40	-1.0	-41.57	324.64	6.19	-35.38
O=C(C(=CC1=CC=CC=C1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144431	1	40	-1.0	-41.60	324.70	6.22	-35.38
O=C(C(F)=CC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144432	0	40	-1.0	-38.58	344.52	6.89	-31.69
O=C(C(F)=CC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144432	1	40	-1.0	-38.54	344.57	6.91	-31.63
CC1=CNC(CC(N)=O)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144433	0	41	-1.0	-50.85	334.72	0.46	-50.39
CC1=CNC(CC(N)=O)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144433	1	41	-1.0	-50.86	334.78	0.48	-50.38
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C1=CC=CN=C1	REAL300020144434	0	42	-1.0	-50.47	340.54	4.26	-46.21
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C1=CC=CN=C1	REAL300020144434	1	42	-1.0	-50.45	340.48	4.24	-46.21
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC=C1C(N)=O	REAL300020144435	0	39	-1.0	-48.06	315.80	0.92	-47.14
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC=C1C(N)=O	REAL300020144435	1	39	-1.0	-48.07	315.86	0.94	-47.13
O=C(C1=CC2=CC=C(Br)C=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144436	0	36	-1.0	-38.66	328.66	6.47	-32.19
O=C(C1=CC2=CC=C(Br)C=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144436	1	36	-1.0	-38.64	328.72	6.50	-32.14
COC1=CC=CC(OC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2)=C1	REAL300020144437	0	47	-1.0	-41.55	383.58	5.74	-35.81
COC1=CC=CC(OC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2)=C1	REAL300020144437	1	47	-1.0	-41.55	383.52	5.72	-35.83
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2)CCOCC1	REAL300020144438	0	50	-1.0	-49.43	364.60	5.79	-43.64
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2)CCOCC1	REAL300020144438	1	50	-1.0	-49.45	364.66	5.82	-43.63
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL300020144439	0	43	-1.0	-48.72	355.82	7.50	-41.22
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL300020144439	1	43	-1.0	-48.72	355.88	7.52	-41.20
CC1CC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020144440	0	41	-1.0	-52.30	329.12	5.10	-47.20
CC1CC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020144440	1	41	-1.0	-52.35	329.18	5.12	-47.23
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(C)C)=N1	REAL300020144441	0	44	-1.0	-46.01	346.50	5.23	-40.78
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(C)C)=N1	REAL300020144441	1	44	-1.0	-45.97	346.55	5.26	-40.71
O=C(C1=CN(CC2CC2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144442	0	39	-1.0	-47.03	320.79	3.76	-43.27
O=C(C1=CN(CC2CC2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144442	1	39	-1.0	-47.03	320.73	3.73	-43.30
O=C(CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144443	0	49	-1.0	-54.24	394.47	8.82	-45.42
O=C(CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144443	1	49	-1.0	-54.19	394.41	8.80	-45.39
O=C(C1=CC2=CC=CN=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144444	0	35	-1.0	-44.05	301.38	3.93	-40.12
O=C(C1=CC2=CC=CN=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144444	1	35	-1.0	-44.06	301.33	3.90	-40.16
N#CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020144445	0	38	-1.0	-50.23	344.08	6.26	-43.97
N#CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020144445	1	38	-1.0	-50.22	344.14	6.29	-43.93
O=C(C1=CC2=CC=NC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144446	0	38	-1.0	-47.88	309.76	4.88	-43.00
O=C(C1=CC2=CC=NC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144446	1	38	-1.0	-47.88	309.70	4.85	-43.03
CC1=CC=C(Br)C=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144447	0	39	-1.0	-47.21	332.74	6.54	-40.67
CC1=CC=C(Br)C=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144447	1	39	-1.0	-47.20	332.79	6.57	-40.63
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=C1CCC2	REAL300020144448	0	43	-1.0	-39.57	335.62	6.91	-32.66
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=C1CCC2	REAL300020144448	1	43	-1.0	-39.52	335.68	6.93	-32.59
O=C(C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144449	0	42	-1.0	-39.47	352.22	7.15	-32.32
O=C(C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144449	1	42	-1.0	-39.51	352.27	7.17	-32.34
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C(C)C	REAL300020144450	0	42	-1.0	-48.22	334.30	4.85	-43.37
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C(C)C	REAL300020144450	1	42	-1.0	-48.25	334.36	4.88	-43.37
CCC(CC(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144451	0	38	-1.0	-43.07	300.01	4.32	-38.75
CCC(CC(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144451	1	38	-1.0	-43.06	300.06	4.35	-38.71
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CN(C)N=C1	REAL300020144452	0	42	-1.0	-47.10	341.97	2.90	-44.20
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CN(C)N=C1	REAL300020144452	1	42	-1.0	-47.05	341.92	2.88	-44.17
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144453	0	40	-1.0	-49.94	336.34	7.18	-42.76
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144453	1	40	-1.0	-49.92	336.39	7.21	-42.71
CC1=CC=C(F)C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144454	0	39	-1.0	-49.28	321.53	6.15	-43.13
CC1=CC=C(F)C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144454	1	39	-1.0	-49.28	321.59	6.18	-43.10
CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020144455	0	39	-1.0	-46.95	334.30	6.62	-40.33
CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020144455	1	39	-1.0	-46.97	334.36	6.65	-40.32
O=C(CC1=CC2=CC=CC=C2C(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144456	0	42	-1.0	-56.05	345.68	4.52	-51.53
O=C(CC1=CC2=CC=CC=C2C(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144456	1	42	-1.0	-56.08	345.74	4.54	-51.54
C=CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020144457	0	46	-1.0	-47.61	330.34	5.93	-41.68
C=CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020144457	1	46	-1.0	-47.62	330.39	5.96	-41.66
CC1=CN=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144458	0	41	-1.0	-46.72	332.39	5.12	-41.60
CC1=CN=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144458	1	41	-1.0	-46.69	332.45	5.15	-41.54
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(C(C)C)=N1	REAL300020144459	0	41	-1.0	-37.95	328.39	2.12	-35.83
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(C(C)C)=N1	REAL300020144459	1	41	-1.0	-38.00	328.45	2.14	-35.86
CC(F)(F)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144460	0	39	-1.0	-44.68	323.68	5.97	-38.71
CC(F)(F)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144460	1	39	-1.0	-44.70	323.74	6.00	-38.70
CC(C)CC(CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144461	0	50	-1.0	-45.30	364.42	6.90	-38.40
CC(C)CC(CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144461	1	50	-1.0	-45.28	364.47	6.93	-38.35
O=C(CC1COC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144462	0	42	-1.0	-54.17	337.91	5.41	-48.76
O=C(CC1COC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144462	1	42	-1.0	-54.20	337.97	5.44	-48.76
O=C(C1=CC=NC(OC(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144463	0	36	-1.0	-47.99	308.74	1.90	-46.09
O=C(C1=CC=NC(OC(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144463	1	36	-1.0	-47.97	308.68	1.88	-46.09
COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1OC	REAL300020144464	0	44	-1.0	-51.61	370.87	5.20	-46.41
COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1OC	REAL300020144464	1	44	-1.0	-51.61	370.93	5.23	-46.38
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020144465	0	50	-1.0	-53.94	379.55	4.11	-49.83
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020144465	1	50	-1.0	-53.90	379.61	4.14	-49.76
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1F	REAL300020144466	0	39	-1.0	-51.62	331.15	5.31	-46.31
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1F	REAL300020144466	1	39	-1.0	-51.63	331.20	5.34	-46.29
O=C(C1CC12CCSCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144467	0	41	-1.0	-45.93	320.28	6.01	-39.92
O=C(C1CC12CCSCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144467	1	41	-1.0	-45.96	320.34	6.04	-39.92
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020144468	0	38	-1.0	-38.70	321.74	3.75	-34.95
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020144468	1	38	-1.0	-38.70	321.80	3.77	-34.93
CC1=NC2=CC=NN2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144469	0	38	-1.0	-43.77	316.38	4.04	-39.73
CC1=NC2=CC=NN2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144469	1	38	-1.0	-43.79	316.43	4.07	-39.72
O=C(C1CC1C1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144470	0	40	-1.0	-50.11	336.07	7.16	-42.95
O=C(C1CC1C1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144470	1	40	-1.0	-50.13	336.12	7.18	-42.95
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2(CC2)C1	REAL300020144471	0	54	-1.0	-53.31	410.76	5.79	-47.52
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2(CC2)C1	REAL300020144471	1	54	-1.0	-53.30	410.82	5.82	-47.48
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144472	0	48	-1.0	-52.63	376.64	5.22	-47.41
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144472	1	48	-1.0	-52.63	376.70	5.24	-47.39
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC=C1Br	REAL300020144473	0	36	-1.0	-42.82	316.83	5.77	-37.05
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC=C1Br	REAL300020144473	1	36	-1.0	-42.81	316.88	5.80	-37.01
O=C(C1=CC=C(S(=O)(=O)C2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144474	0	43	-1.0	-49.28	362.06	3.74	-45.54
O=C(C1=CC=C(S(=O)(=O)C2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144474	1	43	-1.0	-49.27	362.12	3.76	-45.51
O=C(COC1=C(Cl)C=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144475	0	37	-1.0	-47.07	356.35	7.07	-40.00
O=C(COC1=C(Cl)C=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144475	1	37	-1.0	-47.07	356.41	7.10	-39.97
CC(=O)C1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020144476	0	37	-1.0	-56.84	315.27	1.89	-54.95
CC(=O)C1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020144476	1	37	-1.0	-56.82	315.33	1.92	-54.90
O=C([C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144477	0	48	-1.0	-62.39	384.59	4.84	-57.55
O=C([C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144477	1	48	-1.0	-62.38	384.65	4.87	-57.51
O=C(C1=C(Br)SC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144478	0	30	-1.0	-37.13	280.23	4.09	-33.04
O=C(C1=C(Br)SC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144478	1	30	-1.0	-37.14	280.29	4.11	-33.03
COC1=CC=C(OC(F)(F)F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144479	0	41	-1.0	-47.76	345.48	3.79	-43.97
COC1=CC=C(OC(F)(F)F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144479	1	41	-1.0	-47.73	345.54	3.82	-43.91
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC2=C1OC(F)(F)O2	REAL300020144480	0	39	-1.0	-44.57	327.63	4.16	-40.41
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC2=C1OC(F)(F)O2	REAL300020144480	1	39	-1.0	-44.52	327.68	4.19	-40.33
COC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020144481	0	40	-1.0	-49.22	340.20	5.29	-43.93
COC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020144481	1	40	-1.0	-49.24	340.26	5.31	-43.93
O=C(C1=CC2=C(CCCC2)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144482	0	41	-1.0	-46.89	317.63	5.17	-41.72
O=C(C1=CC2=C(CCCC2)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144482	1	41	-1.0	-46.91	317.68	5.20	-41.71
O=C(CC1=CC=C(O)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144483	0	37	-1.0	-50.99	311.95	2.67	-48.32
O=C(CC1=CC=C(O)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144483	1	37	-1.0	-50.97	312.01	2.70	-48.27
O=C(C(O)C1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144484	0	37	-1.0	-44.03	329.12	4.10	-39.93
O=C(C(O)C1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144484	1	37	-1.0	-44.04	329.18	4.12	-39.92
CN1N=C(C(F)(F)F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144485	0	36	-1.0	-41.37	308.11	3.18	-38.19
CN1N=C(C(F)(F)F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144485	1	36	-1.0	-41.41	308.05	3.15	-38.26
CC1=CC(F)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020144486	0	39	-1.0	-47.83	326.87	6.18	-41.65
CC1=CC(F)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020144486	1	39	-1.0	-47.85	326.93	6.21	-41.64
COC1COCCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144487	0	44	-1.0	-45.75	337.28	2.40	-43.35
COC1COCCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144487	1	44	-1.0	-45.74	337.34	2.43	-43.31
O=C(C1=CC=C(C(F)(F)F)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144488	0	34	-1.0	-42.25	295.13	3.68	-38.57
O=C(C1=CC=C(C(F)(F)F)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144488	1	34	-1.0	-42.22	295.19	3.70	-38.52
CC(C)(C)C(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020144489	0	48	-1.0	-56.70	379.49	5.00	-51.70
CC(C)(C)C(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020144489	1	48	-1.0	-56.69	379.44	4.97	-51.72
CC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020144490	0	39	-1.0	-43.27	327.51	6.24	-37.03
CC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020144490	1	39	-1.0	-43.27	327.57	6.26	-37.01
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1Cl	REAL300020144491	0	36	-1.0	-48.18	319.31	5.95	-42.23
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1Cl	REAL300020144491	1	36	-1.0	-48.16	319.37	5.98	-42.18
CC(C)(C)C(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144492	0	46	-1.0	-56.07	358.25	5.77	-50.30
CC(C)(C)C(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144492	1	46	-1.0	-56.04	358.31	5.79	-50.25
O=C(C1=CC=CN1CCN1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144493	0	50	-1.0	-48.09	382.08	3.23	-44.86
O=C(C1=CC=CN1CCN1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144493	1	50	-1.0	-48.18	382.14	3.25	-44.93
O=C(C1=C2CCCCC2=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144494	0	39	-1.0	-41.32	307.23	4.42	-36.90
O=C(C1=C2CCCCC2=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144494	1	39	-1.0	-41.35	307.28	4.45	-36.90
N#CC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144495	0	34	-1.0	-38.06	311.18	5.31	-32.75
N#CC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144495	1	34	-1.0	-38.07	311.24	5.34	-32.73
O=C(C1=CSC(I)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144496	0	29	-1.0	-40.32	282.80	3.33	-36.99
O=C(C1=CSC(I)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144496	1	29	-1.0	-40.34	282.74	3.31	-37.03
CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144497	0	48	-1.0	-44.94	376.68	0.61	-44.33
CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144497	1	48	-1.0	-44.96	376.73	0.64	-44.32
O=C(C1=CSC(NC2=CC(F)=CC(F)=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144498	0	41	-1.0	-38.65	359.67	5.97	-32.68
O=C(C1=CSC(NC2=CC(F)=CC(F)=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144498	1	41	-1.0	-38.65	359.62	5.95	-32.70
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)N2N=NN=C2N1C	REAL300020144499	0	44	-1.0	-44.64	350.11	5.17	-39.47
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)N2N=NN=C2N1C	REAL300020144499	1	44	-1.0	-44.62	350.05	5.15	-39.47
CN(C(=O)OC(C)(C)C)C(CC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144500	0	61	-1.0	-45.90	431.63	7.55	-38.35
CN(C(=O)OC(C)(C)C)C(CC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144500	1	61	-1.0	-45.88	431.69	7.57	-38.31
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144501	0	42	-1.0	-46.68	360.27	3.01	-43.67
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144501	1	42	-1.0	-46.66	360.32	3.04	-43.62
CC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)(C2=CC=CC(Cl)=C2)C1	REAL300020144502	0	46	-1.0	-44.21	366.68	7.72	-36.49
CC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)(C2=CC=CC(Cl)=C2)C1	REAL300020144502	1	46	-1.0	-44.18	366.73	7.75	-36.43
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020144503	0	42	-1.0	-42.71	337.26	6.51	-36.20
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020144503	1	42	-1.0	-42.67	337.32	6.54	-36.13
COCCN1C=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=N1	REAL300020144504	0	51	-1.0	-56.49	405.48	3.25	-53.24
COCCN1C=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=N1	REAL300020144504	1	51	-1.0	-56.49	405.42	3.22	-53.27
CC(OCCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144505	0	46	-1.0	-49.34	366.77	7.08	-42.26
CC(OCCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144505	1	46	-1.0	-49.34	366.82	7.11	-42.23
C=CCOC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144506	0	44	-1.0	-48.85	358.93	6.25	-42.60
C=CCOC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144506	1	44	-1.0	-48.92	358.99	6.28	-42.64
O=C(C1=CC(Cl)=NC(OC(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144507	0	36	-1.0	-45.03	325.68	2.32	-42.71
O=C(C1=CC(Cl)=NC(OC(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144507	1	36	-1.0	-45.02	325.62	2.30	-42.72
N#CC1=CC=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=C1Cl	REAL300020144508	0	45	-1.0	-48.73	382.27	6.37	-42.36
N#CC1=CC=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=C1Cl	REAL300020144508	1	45	-1.0	-48.78	382.33	6.39	-42.39
O=C(C1=CC=CC2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144509	0	43	-1.0	-46.49	329.42	6.88	-39.61
O=C(C1=CC=CC2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144509	1	43	-1.0	-46.49	329.48	6.91	-39.58
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1S(C)(=O)=O	REAL300020144510	0	43	-1.0	-58.01	357.16	1.79	-56.22
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1S(C)(=O)=O	REAL300020144510	1	43	-1.0	-58.02	357.22	1.82	-56.20
COC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144511	0	43	-1.0	-47.86	343.07	6.10	-41.76
COC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144511	1	43	-1.0	-47.83	343.13	6.12	-41.71
O=C(C1=CC=C2OC(F)(F)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144512	0	36	-1.0	-45.58	310.16	3.54	-42.04
O=C(C1=CC=C2OC(F)(F)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144512	1	36	-1.0	-45.59	310.22	3.57	-42.02
CCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020144513	0	47	-1.0	-40.66	372.27	5.02	-35.64
CCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020144513	1	47	-1.0	-40.63	372.33	5.05	-35.58
CCOC(=O)C1=C(C)NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144514	0	43	-1.0	-47.56	350.59	4.84	-42.72
CCOC(=O)C1=C(C)NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144514	1	43	-1.0	-47.55	350.65	4.87	-42.68
CC(=O)NC[C@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC(C)C	REAL300020144515	0	51	-1.0	-49.07	382.86	5.03	-44.04
CC(=O)NC[C@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC(C)C	REAL300020144515	1	51	-1.0	-49.06	382.92	5.06	-44.00
O=C(C1CCC1C1=CC=C(Cl)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144516	0	43	-1.0	-46.17	353.31	7.58	-38.59
O=C(C1CCC1C1=CC=C(Cl)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144516	1	43	-1.0	-46.18	353.36	7.61	-38.57
CCOCC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144517	0	42	-1.0	-40.60	351.52	2.94	-37.66
CCOCC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144517	1	42	-1.0	-40.60	351.58	2.97	-37.63
O=C(C1=COC2=C1C(=O)CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144518	0	39	-1.0	-61.71	317.40	4.59	-57.12
O=C(C1=COC2=C1C(=O)CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144518	1	39	-1.0	-61.74	317.46	4.62	-57.12
O=C(CC1=NC(C2=CC=CC=C2)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144519	0	42	-1.0	-51.54	357.83	6.19	-45.35
O=C(CC1=NC(C2=CC=CC=C2)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144519	1	42	-1.0	-51.55	357.77	6.16	-45.39
CC=CCOC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144520	0	47	-1.0	-49.61	380.64	7.11	-42.50
CC=CCOC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144520	1	47	-1.0	-49.62	380.69	7.14	-42.48
CN(C)C1=NC(Cl)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144521	0	37	-1.0	-40.20	327.34	3.69	-36.51
CN(C)C1=NC(Cl)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144521	1	37	-1.0	-40.16	327.28	3.66	-36.50
CC(=O)NC1=CC([N+](=O)[O-])=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144522	0	42	-1.0	-43.60	364.98	4.59	-39.01
CC(=O)NC1=CC([N+](=O)[O-])=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144522	1	42	-1.0	-43.62	365.03	4.62	-39.00
O=C(OCC1=CC=CC=C1)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL300020144523	0	47	-1.0	-44.12	392.96	7.27	-36.85
O=C(OCC1=CC=CC=C1)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL300020144523	1	47	-1.0	-44.17	393.01	7.30	-36.87
O=C(C1=NN(CCC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144524	0	46	-1.0	-48.49	375.39	7.46	-41.03
O=C(C1=NN(CCC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144524	1	46	-1.0	-48.46	375.33	7.44	-41.02
O=C(C1CCN(C2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144525	0	45	-1.0	-47.39	343.19	4.73	-42.66
O=C(C1CCN(C2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144525	1	45	-1.0	-47.40	343.25	4.76	-42.64
O=C(C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144526	0	42	-1.0	-39.07	356.61	5.52	-33.55
O=C(C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144526	1	42	-1.0	-39.07	356.67	5.54	-33.53
CC1=NN=NN1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020144527	0	41	-1.0	-50.27	341.34	4.49	-45.78
CC1=NN=NN1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020144527	1	41	-1.0	-50.28	341.40	4.52	-45.76
O=C(CC1=C(C2=CC=CC=C2)N=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144528	0	42	-1.0	-48.95	350.69	5.87	-43.08
O=C(CC1=C(C2=CC=CC=C2)N=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144528	1	42	-1.0	-48.95	350.63	5.85	-43.10
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144529	0	54	-1.0	-42.00	399.46	4.64	-37.36
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144529	1	54	-1.0	-41.99	399.52	4.66	-37.33
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144530	0	49	-1.0	-57.54	408.46	5.44	-52.10
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144530	1	49	-1.0	-57.55	408.51	5.47	-52.08
CC(C)CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)F)=N1	REAL300020144531	0	45	-1.0	-52.82	369.68	5.47	-47.35
CC(C)CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)F)=N1	REAL300020144531	1	45	-1.0	-52.75	369.74	5.50	-47.25
O=C(C1=CC=NN1CC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144532	0	36	-1.0	-45.75	307.61	3.53	-42.22
O=C(C1=CC=NN1CC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144532	1	36	-1.0	-45.71	307.55	3.50	-42.21
O=C(C1=CC(Cl)=C(Br)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144533	0	33	-1.0	-43.72	312.83	5.56	-38.16
O=C(C1=CC(Cl)=C(Br)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144533	1	33	-1.0	-43.71	312.89	5.59	-38.12
COC(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144534	0	42	-1.0	-50.98	349.48	6.10	-44.88
COC(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144534	1	42	-1.0	-50.94	349.53	6.13	-44.81
COC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1O	REAL300020144535	0	41	-1.0	-51.55	334.93	2.56	-48.99
COC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1O	REAL300020144535	1	41	-1.0	-51.51	334.99	2.59	-48.92
CC(OCC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144536	0	43	-1.0	-38.37	352.10	6.40	-31.97
CC(OCC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144536	1	43	-1.0	-38.38	352.15	6.42	-31.96
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC12CCCC2	REAL300020144537	0	41	-1.0	-42.54	324.43	5.53	-37.01
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC12CCCC2	REAL300020144537	1	41	-1.0	-42.48	324.49	5.55	-36.93
CCN(CC)C1=CC=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(=O)OC2=C1	REAL300020144538	0	52	-1.0	-50.91	412.50	8.11	-42.80
CCN(CC)C1=CC=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(=O)OC2=C1	REAL300020144538	1	52	-1.0	-50.93	412.56	8.13	-42.80
O=C(C1=CC=C(C(F)(F)F)C(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144539	0	36	-1.0	-43.85	312.11	2.96	-40.89
O=C(C1=CC=C(C(F)(F)F)C(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144539	1	36	-1.0	-43.87	312.17	2.99	-40.88
O=C(CCC1=CC=CC=C1N1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144540	0	52	-1.0	-47.11	401.41	5.67	-41.44
O=C(CCC1=CC=CC=C1N1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144540	1	52	-1.0	-47.11	401.47	5.70	-41.41
O=C(C1=CN=C(F)C(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144541	0	32	-1.0	-35.56	291.86	3.21	-32.35
O=C(C1=CN=C(F)C(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144541	1	32	-1.0	-35.55	291.80	3.19	-32.36
CN1C=C(C=C(C#N)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020144542	0	38	-1.0	-43.83	317.96	3.49	-40.34
CN1C=C(C=C(C#N)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020144542	1	38	-1.0	-43.90	318.02	3.52	-40.38
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144543	0	46	-1.0	-49.80	370.80	5.78	-44.02
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144543	1	46	-1.0	-49.75	370.86	5.80	-43.95
O=C(C1CCC2=NC=CN2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144544	0	40	-1.0	-46.60	314.39	4.76	-41.84
O=C(C1CCC2=NC=CN2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144544	1	40	-1.0	-46.62	314.45	4.79	-41.83
N#CC1=C(F)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020144545	0	34	-1.0	-43.41	302.54	4.87	-38.54
N#CC1=C(F)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020144545	1	34	-1.0	-43.43	302.60	4.90	-38.53
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144546	0	40	-1.0	-48.36	325.18	5.95	-42.41
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144546	1	40	-1.0	-48.37	325.23	5.98	-42.39
O=C(C1=CN(CC(O)CO)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144547	0	41	-1.0	-56.83	336.00	-2.42	-59.25
O=C(C1=CN(CC(O)CO)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144547	1	41	-1.0	-56.83	335.94	-2.44	-59.27
O=C(C1=CC(Cl)=C(F)C=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144548	0	33	-1.0	-41.75	312.04	5.56	-36.19
O=C(C1=CC(Cl)=C(F)C=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144548	1	33	-1.0	-41.77	312.10	5.59	-36.18
O=C(C1=C(Cl)C=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144549	0	33	-1.0	-43.14	322.49	5.94	-37.20
O=C(C1=C(Cl)C=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144549	1	33	-1.0	-43.14	322.55	5.96	-37.18
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144550	0	44	-1.0	-53.34	349.84	4.03	-49.31
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144550	1	44	-1.0	-53.34	349.90	4.05	-49.29
O=C(C1=CC=CC=C1)N1CCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144551	0	47	-1.0	-54.71	363.03	5.52	-49.19
O=C(C1=CC=CC=C1)N1CCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144551	1	47	-1.0	-54.69	363.08	5.55	-49.14
O=C(C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020144552	0	38	-1.0	-52.62	333.21	6.91	-45.71
O=C(C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020144552	1	38	-1.0	-52.59	333.27	6.94	-45.65
O=C(C1=NN(CCN2C=CC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144553	0	43	-1.0	-49.22	356.41	4.65	-44.57
O=C(C1=NN(CCN2C=CC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144553	1	43	-1.0	-49.24	356.35	4.62	-44.62
O=C(C1CCCC1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144554	0	46	-1.0	-48.26	341.20	7.25	-41.01
O=C(C1CCCC1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144554	1	46	-1.0	-48.23	341.26	7.27	-40.96
CCN1C(=O)C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CN=C1	REAL300020144555	0	49	-1.0	-51.06	381.81	4.97	-46.09
CCN1C(=O)C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CN=C1	REAL300020144555	1	49	-1.0	-51.07	381.75	4.95	-46.12
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144556	0	46	-1.0	-43.19	351.08	2.29	-40.90
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144556	1	46	-1.0	-43.24	351.14	2.31	-40.93
O=C([C@@H]1CCCC[C@@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144557	0	49	-1.0	-47.38	357.90	8.07	-39.31
O=C([C@@H]1CCCC[C@@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144557	1	49	-1.0	-47.39	357.96	8.09	-39.30
CC(=O)N[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020144558	0	45	-1.0	-43.01	332.88	2.94	-40.07
CC(=O)N[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020144558	1	45	-1.0	-42.98	332.94	2.96	-40.02
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCC1	REAL300020144559	0	36	-1.0	-36.69	285.52	3.94	-32.75
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCC1	REAL300020144559	1	36	-1.0	-36.71	285.58	3.96	-32.75
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144560	0	55	-1.0	-44.09	411.32	6.18	-37.91
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144560	1	55	-1.0	-44.11	411.37	6.20	-37.91
CC1=NSC(NC2CC2)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144561	0	41	-1.0	-42.99	347.16	3.45	-39.54
CC1=NSC(NC2CC2)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144561	1	41	-1.0	-42.97	347.22	3.48	-39.49
CCN1N=C(C)C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020144562	0	45	-1.0	-52.07	358.40	5.10	-46.97
CCN1N=C(C)C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020144562	1	45	-1.0	-52.07	358.46	5.12	-46.95
O=C(C1=CC2=CC=CC(F)=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144563	0	38	-1.0	-40.58	318.14	4.95	-35.63
O=C(C1=CC2=CC=CC(F)=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144563	1	38	-1.0	-40.60	318.08	4.92	-35.68
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144564	0	40	-1.0	-46.70	353.44	7.58	-39.12
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144564	1	40	-1.0	-46.71	353.50	7.61	-39.10
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144565	0	48	-1.0	-51.98	378.15	5.77	-46.21
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144565	1	48	-1.0	-52.00	378.21	5.80	-46.20
CSC1=NC=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020144566	0	35	-1.0	-40.64	319.04	4.51	-36.13
CSC1=NC=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020144566	1	35	-1.0	-40.67	318.98	4.48	-36.19
O=C(C1=C2OCCCN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144567	0	38	-1.0	-51.51	306.67	1.51	-50.00
O=C(C1=C2OCCCN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144567	1	38	-1.0	-51.51	306.61	1.48	-50.03
O=C(C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144568	0	46	-1.0	-48.18	375.88	8.17	-40.01
O=C(C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144568	1	46	-1.0	-48.22	375.93	8.19	-40.03
COC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144569	0	40	-1.0	-38.76	338.19	4.96	-33.80
COC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144569	1	40	-1.0	-38.80	338.25	4.99	-33.81
CCC1=C(Br)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144570	0	36	-1.0	-35.69	321.95	5.51	-30.18
CCC1=C(Br)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144570	1	36	-1.0	-35.70	322.01	5.54	-30.16
CC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020144571	0	40	-1.0	-46.72	330.15	6.63	-40.09
CC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020144571	1	40	-1.0	-46.75	330.20	6.65	-40.10
O=C(CC1=CSC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144572	0	33	-1.0	-46.10	304.02	4.92	-41.18
O=C(CC1=CSC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144572	1	33	-1.0	-46.12	304.08	4.95	-41.17
O=C(C1=C(NC2=CC=CC=C2)SC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144573	0	41	-1.0	-47.52	342.64	5.19	-42.33
O=C(C1=C(NC2=CC=CC=C2)SC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144573	1	41	-1.0	-47.53	342.59	5.16	-42.37
O=C(C1=CN(CCC2=CC=CC=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144574	0	45	-1.0	-46.55	370.84	5.98	-40.57
O=C(C1=CN(CCC2=CC=CC=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144574	1	45	-1.0	-46.55	370.78	5.96	-40.59
O=C(C1CCC(OCC2CCCO2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144575	0	54	-1.0	-47.08	407.24	5.23	-41.85
O=C(C1CCC(OCC2CCCO2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144575	1	54	-1.0	-47.03	407.30	5.25	-41.78
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1Br	REAL300020144576	0	33	-1.0	-41.95	282.40	4.10	-37.85
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1Br	REAL300020144576	1	33	-1.0	-41.95	282.46	4.12	-37.83
O=C(C1=CC=C2C(=C1)NC(=O)CNC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144577	0	42	-1.0	-49.45	343.84	0.40	-49.05
O=C(C1=CC=C2C(=C1)NC(=O)CNC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144577	1	42	-1.0	-49.51	343.90	0.42	-49.09
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020144578	0	48	-1.0	-48.84	355.47	7.73	-41.11
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020144578	1	48	-1.0	-48.83	355.52	7.76	-41.07
CN(C)C1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144579	0	41	-1.0	-44.07	344.34	5.46	-38.61
CN(C)C1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144579	1	41	-1.0	-44.12	344.40	5.49	-38.63
CN(C)C1=CC(C#N)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144580	0	42	-1.0	-45.42	339.79	5.12	-40.30
CN(C)C1=CC(C#N)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144580	1	42	-1.0	-45.42	339.85	5.15	-40.27
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=NN(C)C=C1	REAL300020144581	0	42	-1.0	-47.67	345.52	4.16	-43.51
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=NN(C)C=C1	REAL300020144581	1	42	-1.0	-47.65	345.47	4.14	-43.51
O=C(C1CCC2=CN=CN2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144582	0	40	-1.0	-47.10	314.42	5.49	-41.61
O=C(C1CCC2=CN=CN2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144582	1	40	-1.0	-47.11	314.48	5.52	-41.59
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144583	0	48	0.0	-79.02	371.34	7.20	-71.82
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144583	1	48	0.0	-79.01	371.40	7.22	-71.79
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CC2)=NO1	REAL300020144584	0	39	-1.0	-43.38	325.45	5.17	-38.21
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CC2)=NO1	REAL300020144584	1	39	-1.0	-43.36	325.51	5.20	-38.16
O=C(C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144585	0	38	-1.0	-46.47	331.97	6.03	-40.44
O=C(C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144585	1	38	-1.0	-46.49	332.03	6.06	-40.43
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=CC=C2)CC1	REAL300020144586	0	49	-1.0	-41.49	374.04	3.85	-37.64
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC=C2)CC1	REAL300020144586	1	49	-1.0	-41.46	374.10	3.87	-37.59
CC(C)(C)N1C=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020144587	0	41	-1.0	-51.52	327.37	5.57	-45.95
CC(C)(C)N1C=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020144587	1	41	-1.0	-51.56	327.31	5.55	-46.01
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(F)C=C2)CCOCC1	REAL300020144588	0	50	-1.0	-51.52	366.09	5.70	-45.82
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(F)C=C2)CCOCC1	REAL300020144588	1	50	-1.0	-51.50	366.15	5.73	-45.77
COC1=CC=CC(C(=O)CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144589	0	48	-1.0	-61.70	387.29	6.16	-55.54
COC1=CC=CC(C(=O)CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144589	1	48	-1.0	-61.71	387.35	6.19	-55.52
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=N1	REAL300020144590	0	41	-1.0	-48.39	338.40	4.27	-44.12
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=N1	REAL300020144590	1	41	-1.0	-48.38	338.35	4.25	-44.13
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020144591	0	40	-2.0	-108.62	352.07	4.74	-103.88
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020144591	1	40	-2.0	-108.66	352.13	4.76	-103.90
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020144592	0	40	-2.0	-109.32	345.09	4.25	-105.07
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020144592	1	40	-2.0	-109.34	345.15	4.28	-105.06
COC(=O)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020144593	0	39	-1.0	-41.14	335.01	4.95	-36.19
COC(=O)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020144593	1	39	-1.0	-41.16	335.07	4.97	-36.19
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C(F)(F)F)=N1	REAL300020144594	0	35	-1.0	-35.64	315.87	3.38	-32.26
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C(F)(F)F)=N1	REAL300020144594	1	35	-1.0	-35.62	315.92	3.41	-32.21
COC(=O)C1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144595	0	39	-1.0	-46.71	346.65	5.70	-41.01
COC(=O)C1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144595	1	39	-1.0	-46.70	346.70	5.73	-40.97
NC1=NC(Cl)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144596	0	34	-1.0	-43.11	294.63	2.04	-41.07
NC1=NC(Cl)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144596	1	34	-1.0	-43.07	294.57	2.02	-41.05
O=C(CC1=CNC2=CC=CC(Cl)=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144597	0	40	-1.0	-51.10	339.28	5.88	-45.22
O=C(CC1=CNC2=CC=CC(Cl)=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144597	1	40	-1.0	-51.13	339.34	5.90	-45.23
CCC1=CC=C(C#CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144598	0	41	-1.0	-44.89	345.35	7.56	-37.33
CCC1=CC=C(C#CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144598	1	41	-1.0	-44.87	345.41	7.58	-37.29
COC1=CC(Br)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020144599	0	41	-1.0	-39.57	347.47	4.25	-35.32
COC1=CC(Br)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020144599	1	41	-1.0	-39.58	347.52	4.27	-35.31
CC(C)(C)C1=NNC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144600	0	42	-1.0	-46.68	323.86	3.18	-43.50
CC(C)(C)C1=NNC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144600	1	42	-1.0	-46.69	323.92	3.20	-43.49
N#CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN=C1C(F)(F)F	REAL300020144601	0	36	-1.0	-42.85	322.42	3.89	-38.96
N#CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN=C1C(F)(F)F	REAL300020144601	1	36	-1.0	-42.85	322.36	3.86	-38.99
CC(C)C(=O)NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020144602	0	45	-1.0	-49.92	360.28	4.45	-45.47
CC(C)C(=O)NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020144602	1	45	-1.0	-49.93	360.22	4.42	-45.51
O=C(C1=CC=C(OC(F)F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144603	0	37	-1.0	-45.25	315.85	4.10	-41.15
O=C(C1=CC=C(OC(F)F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144603	1	37	-1.0	-45.28	315.91	4.13	-41.15
CC1=NC(C(C)C)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144604	0	44	-1.0	-45.37	343.96	5.04	-40.33
CC1=NC(C(C)C)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144604	1	44	-1.0	-45.35	344.02	5.06	-40.29
CCC1=NC(C(C)C)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144605	0	47	-1.0	-44.97	363.32	5.75	-39.22
CCC1=NC(C(C)C)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144605	1	47	-1.0	-44.97	363.38	5.78	-39.19
CC1CCCN(C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=N2)C1	REAL300020144606	0	50	-1.0	-45.71	381.44	5.73	-39.98
CC1CCCN(C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=N2)C1	REAL300020144606	1	50	-1.0	-45.70	381.39	5.70	-40.00
CN1C=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020144607	0	33	-1.0	-48.94	292.05	3.47	-45.47
CN1C=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020144607	1	33	-1.0	-48.92	292.00	3.44	-45.48
O=C(C1=CC=CC([N+](=O)[O-])=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144608	0	35	-1.0	-52.99	308.59	5.43	-47.56
O=C(C1=CC=CC([N+](=O)[O-])=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144608	1	35	-1.0	-52.99	308.64	5.46	-47.53
CN(CC=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300020144609	0	41	-1.0	-49.14	339.29	3.21	-45.93
CN(CC=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020144609	1	41	-1.0	-49.16	339.34	3.24	-45.92
O=C(C1=CN=C(OC2CCOCC2)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144610	0	47	-1.0	-42.78	388.26	3.14	-39.64
O=C(C1=CN=C(OC2CCOCC2)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144610	1	47	-1.0	-42.76	388.21	3.12	-39.64
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C2OCOC2=C1	REAL300020144611	0	42	-1.0	-48.06	333.42	4.43	-43.63
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C2OCOC2=C1	REAL300020144611	1	42	-1.0	-48.03	333.48	4.46	-43.57
CC1(C)C(=O)NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020144612	0	44	-1.0	-38.73	353.20	3.92	-34.81
CC1(C)C(=O)NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020144612	1	44	-1.0	-38.76	353.26	3.94	-34.82
NS(=O)(=O)C1=NNC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144613	0	35	-1.0	-59.35	302.95	-3.20	-62.55
NS(=O)(=O)C1=NNC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144613	1	35	-1.0	-59.30	303.01	-3.17	-62.47
CC(C)(C)CCC1(O)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144614	0	52	-1.0	-45.48	387.10	4.36	-41.12
CC(C)(C)CCC1(O)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144614	1	52	-1.0	-45.51	387.15	4.39	-41.12
O=C(C1=C(C2=CC=CC=C2)N=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144615	0	39	-1.0	-40.72	321.12	2.95	-37.77
O=C(C1=C(C2=CC=CC=C2)N=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144615	1	39	-1.0	-40.71	321.06	2.93	-37.78
CS(=O)(=O)CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020144616	0	45	-1.0	-50.12	370.48	3.34	-46.78
CS(=O)(=O)CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020144616	1	45	-1.0	-50.09	370.54	3.37	-46.72
CC1(C)OC(=O)C2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020144617	0	43	-1.0	-65.71	348.77	6.61	-59.10
CC1(C)OC(=O)C2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020144617	1	43	-1.0	-65.67	348.82	6.63	-59.04
CC(C)(O)C(OC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144618	0	47	-1.0	-55.04	355.50	3.90	-51.14
CC(C)(O)C(OC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144618	1	47	-1.0	-55.04	355.55	3.93	-51.11
O=C(C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144619	0	42	-1.0	-45.03	360.05	6.91	-38.12
O=C(C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144619	1	42	-1.0	-45.04	360.00	6.88	-38.16
CCOC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020144620	0	41	-1.0	-39.69	341.69	5.07	-34.62
CCOC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020144620	1	41	-1.0	-39.66	341.63	5.05	-34.61
CC1=CC(Cl)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020144621	0	38	-1.0	-44.28	329.29	6.11	-38.17
CC1=CC(Cl)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020144621	1	38	-1.0	-44.25	329.35	6.13	-38.12
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020144622	0	43	-1.0	-49.06	364.51	6.75	-42.31
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020144622	1	43	-1.0	-49.03	364.57	6.78	-42.25
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CCCC(C4=N[N-]N=N4)C3)[C@H]2C1	REAL300020144623	0	51	-1.0	-49.98	395.39	5.59	-44.39
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CCCC(C4=NN=N[N-]4)C3)[C@H]2C1	REAL300020144623	1	51	-1.0	-49.98	395.45	5.61	-44.37
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1OCCC2=C1C=CS2	REAL300020144624	0	44	-1.0	-50.17	349.19	6.21	-43.96
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1OCCC2=C1C=CS2	REAL300020144624	1	44	-1.0	-50.18	349.25	6.24	-43.94
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144625	0	51	-1.0	-51.36	386.45	6.27	-45.09
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144625	1	51	-1.0	-51.36	386.51	6.30	-45.06
O=C(C1=NOC(CN2CCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144626	0	44	-1.0	-43.14	348.04	3.01	-40.13
O=C(C1=NOC(CN2CCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144626	1	44	-1.0	-43.13	348.09	3.03	-40.10
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144626	1	45	0.0	-72.98	351.84	5.62	-67.36
CN1C=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020144627	0	39	-1.0	-44.42	318.99	5.78	-38.64
CN1C=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020144627	1	39	-1.0	-44.44	318.93	5.75	-38.69
CC(C)[C@H](NC(=O)COC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144628	0	53	-1.0	-44.72	411.57	5.79	-38.93
CC(C)[C@H](NC(=O)COC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144628	1	53	-1.0	-44.71	411.62	5.82	-38.89
CC(O)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020144629	0	40	-1.0	-43.96	328.97	3.57	-40.39
CC(O)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020144629	1	40	-1.0	-43.97	329.03	3.59	-40.38
O=C(C1=CC(Cl)=C(F)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144630	0	33	-1.0	-42.23	308.02	5.47	-36.76
O=C(C1=CC(Cl)=C(F)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144630	1	33	-1.0	-42.22	308.08	5.50	-36.72
O=C(C1=C(Cl)C=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144631	0	32	-1.0	-43.33	301.05	3.73	-39.60
O=C(C1=C(Cl)C=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144631	1	32	-1.0	-43.31	300.99	3.71	-39.60
COC1=CC(Cl)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144632	0	37	-1.0	-44.53	316.78	4.25	-40.28
COC1=CC(Cl)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144632	1	37	-1.0	-44.53	316.84	4.28	-40.25
C#CCCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144633	0	42	-1.0	-46.26	349.07	6.00	-40.26
C#CCCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144633	1	42	-1.0	-46.27	349.13	6.03	-40.24
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1I	REAL300020144634	0	33	-1.0	-44.27	299.78	3.09	-41.18
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1I	REAL300020144634	1	33	-1.0	-44.23	299.73	3.06	-41.17
O=C(COC1=CC=C(Cl)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144635	0	37	-1.0	-48.21	326.21	5.93	-42.28
O=C(COC1=CC=C(Cl)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144635	1	37	-1.0	-48.23	326.26	5.96	-42.27
COC1=CC=CC(N2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=N2)=C1	REAL300020144636	0	43	-1.0	-50.50	353.63	4.01	-46.49
COC1=CC=CC(N2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=N2)=C1	REAL300020144636	1	43	-1.0	-50.48	353.57	3.99	-46.49
O=C(C1=C(Cl)SC(Cl)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144637	0	29	-1.0	-38.85	285.53	3.47	-35.38
O=C(C1=C(Cl)SC(Cl)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144637	1	29	-1.0	-38.82	285.47	3.44	-35.38
O=C(CCN1C(=O)CCNC1=S)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144638	0	41	-1.0	-58.12	340.26	3.60	-54.52
O=C(CCN1C(=O)CCNC1=S)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144638	1	41	-1.0	-58.10	340.32	3.63	-54.47
NS(=O)(=O)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144639	0	43	-1.0	-52.53	344.12	-1.38	-53.91
NS(=O)(=O)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144639	1	43	-1.0	-52.57	344.18	-1.35	-53.92
CN1C=NN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020144640	0	39	-1.0	-54.43	324.30	4.41	-50.02
CN1C=NN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020144640	1	39	-1.0	-54.48	324.35	4.43	-50.05
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144641	0	40	-1.0	-49.66	338.34	-1.86	-51.52
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144641	1	40	-1.0	-49.62	338.40	-1.83	-51.45
O=C(C1=CC=NC(C2=NC=CN2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144642	0	39	-1.0	-52.72	325.38	3.09	-49.63
O=C(C1=CC=NC(C2=NC=CN2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144642	1	39	-1.0	-52.69	325.44	3.11	-49.58
O=C(CN1N=NC2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144643	0	42	-1.0	-56.35	332.67	3.83	-52.52
O=C(CN1N=NC2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144643	1	42	-1.0	-56.36	332.73	3.86	-52.50
NS(=O)(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144644	0	35	-1.0	-46.41	296.73	-1.97	-48.38
NS(=O)(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144644	1	35	-1.0	-46.44	296.79	-1.95	-48.39
CC1=NC=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020144645	0	40	-1.0	-46.36	327.08	4.23	-42.13
CC1=NC=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020144645	1	40	-1.0	-46.35	327.14	4.25	-42.10
O=C(CCN1C=NC=CC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144646	0	38	-1.0	-52.21	314.90	4.26	-47.95
O=C(CCN1C=NC=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144646	1	38	-1.0	-52.28	314.84	4.23	-48.05
O=C(NC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020144647	0	44	-1.0	-45.32	353.31	5.19	-40.13
O=C(NC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020144647	1	44	-1.0	-45.28	353.36	5.22	-40.06
CC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020144648	0	35	-1.0	-53.94	304.42	4.06	-49.88
CC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020144648	1	35	-1.0	-53.92	304.48	4.09	-49.83
O=C(CC1CCCS(=O)(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144649	0	42	-1.0	-55.71	333.32	1.74	-53.97
O=C(CC1CCCS(=O)(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144649	1	42	-1.0	-55.70	333.38	1.76	-53.94
COCCOCCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1	REAL300020144650	0	47	-1.0	-46.61	382.18	2.56	-44.05
COCCOCCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1	REAL300020144650	1	47	-1.0	-46.62	382.23	2.59	-44.03
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144651	0	46	-1.0	-48.48	362.86	7.26	-41.22
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144651	1	46	-1.0	-48.51	362.92	7.29	-41.22
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N2C=C(Cl)C=CC2=N1	REAL300020144652	0	42	-1.0	-44.87	360.83	6.72	-38.15
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N2C=C(Cl)C=CC2=N1	REAL300020144652	1	42	-1.0	-44.87	360.89	6.74	-38.13
O=C(C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144653	0	43	-1.0	-44.32	369.57	7.54	-36.78
O=C(C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144653	1	43	-1.0	-44.37	369.63	7.56	-36.81
CC(OCC1=CC=NC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144654	0	42	-1.0	-52.42	339.39	4.52	-47.90
CC(OCC1=CC=NC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144654	1	42	-1.0	-52.43	339.45	4.55	-47.88
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020144655	0	44	-1.0	-57.19	329.12	6.79	-50.40
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020144655	1	44	-1.0	-57.16	329.18	6.82	-50.34
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CN1C(C)C	REAL300020144656	0	43	-1.0	-47.94	336.69	6.01	-41.93
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CN1C(C)C	REAL300020144656	1	43	-1.0	-47.92	336.75	6.04	-41.88
O=C(C1=CC2=C(F)C=CC(F)=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144657	0	38	-1.0	-39.89	323.13	4.95	-34.94
O=C(C1=CC2=C(F)C=CC(F)=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144657	1	38	-1.0	-39.87	323.08	4.93	-34.94
O=C(C1=CC2=CC=CC=C2C(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144658	0	39	-1.0	-46.43	334.56	7.20	-39.23
O=C(C1=CC2=CC=CC=C2C(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144658	1	39	-1.0	-46.47	334.62	7.22	-39.25
O=C(CC1=CNC2=CN=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144659	0	39	-1.0	-52.33	321.34	3.75	-48.58
O=C(CC1=CNC2=CN=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144659	1	39	-1.0	-52.34	321.40	3.77	-48.57
O=C(C1CCCN(C2=CC=CC=C2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144660	0	47	-1.0	-50.63	369.10	6.33	-44.30
O=C(C1CCCN(C2=CC=CC=C2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144660	1	47	-1.0	-50.65	369.15	6.35	-44.30
NC(=O)C1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144661	0	43	-1.0	-51.39	350.64	3.04	-48.35
NC(=O)C1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144661	1	43	-1.0	-51.38	350.70	3.07	-48.31
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N(C(=O)OC(C)(C)C)C1CC1	REAL300020144662	0	53	-1.0	-47.69	395.20	5.84	-41.85
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N(C(=O)OC(C)(C)C)C1CC1	REAL300020144662	1	53	-1.0	-47.66	395.26	5.87	-41.79
CN1N=CC(I)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144663	0	33	-1.0	-41.99	304.11	3.41	-38.58
CN1N=CC(I)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144663	1	33	-1.0	-42.00	304.06	3.38	-38.62
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=CC=C(C#N)C=C12	REAL300020144664	0	40	-1.0	-39.53	344.23	6.88	-32.65
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=CC=C(C#N)C=C12	REAL300020144664	1	40	-1.0	-39.49	344.29	6.91	-32.58
CC(C)(C)OC(=O)N1CCCC1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144665	0	56	-1.0	-57.65	421.68	6.20	-51.45
CC(C)(C)OC(=O)N1CCCC1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144665	1	56	-1.0	-57.70	421.74	6.23	-51.47
O=C(C1=NN2CCCNC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144666	0	38	-1.0	-46.36	305.13	4.25	-42.11
O=C(C1=NN2CCCNC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144666	1	38	-1.0	-46.36	305.07	4.23	-42.13
O=C(C1=CN2C(Br)=CN=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144667	0	33	-1.0	-38.46	309.22	4.82	-33.64
O=C(C1=CN2C(Br)=CN=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144667	1	33	-1.0	-38.43	309.17	4.79	-33.64
COCCOCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144668	0	47	-1.0	-48.34	381.04	4.40	-43.94
COCCOCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144668	1	47	-1.0	-48.35	381.10	4.43	-43.92
O=C(C1CCC2=CC=CC(O)=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144669	0	41	-1.0	-52.48	324.55	4.45	-48.03
O=C(C1CCC2=CC=CC(O)=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144669	1	41	-1.0	-52.44	324.61	4.48	-47.96
O=C(C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144670	0	48	-1.0	-39.22	398.50	8.86	-30.36
O=C(C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144670	1	48	-1.0	-39.20	398.55	8.88	-30.32
O=C(C1=CC=C2C(=O)CCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144671	0	42	-1.0	-48.87	334.83	6.01	-42.86
O=C(C1=CC=C2C(=O)CCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144671	1	42	-1.0	-48.88	334.89	6.04	-42.84
CC1=CC=C(Br)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144672	0	39	-1.0	-44.27	331.32	6.18	-38.09
CC1=CC=C(Br)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144672	1	39	-1.0	-44.27	331.38	6.21	-38.06
O=C(C1=CC=CC(F)=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144673	0	33	-1.0	-49.13	295.14	5.05	-44.08
O=C(C1=CC=CC(F)=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144673	1	33	-1.0	-49.11	295.19	5.08	-44.03
O=C(C1=CC(F)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144674	0	33	-1.0	-44.86	291.80	4.99	-39.87
O=C(C1=CC(F)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144674	1	33	-1.0	-44.88	291.86	5.01	-39.87
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144675	0	44	-1.0	-38.72	366.24	4.83	-33.89
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144675	1	44	-1.0	-38.74	366.30	4.85	-33.89
O=C(C1=CN(C2=CC=NC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144676	0	39	-1.0	-46.72	323.56	3.80	-42.92
O=C(C1=CN(C2=CC=NC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144676	1	39	-1.0	-46.73	323.62	3.82	-42.91
O=C(C1=NOC(CN2C=CC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144677	0	39	-1.0	-49.33	329.94	4.11	-45.22
O=C(C1=NOC(CN2C=CC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144677	1	39	-1.0	-49.34	330.00	4.14	-45.20
CC1=CC=C2SN=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020144678	0	38	-1.0	-42.90	318.97	5.65	-37.25
CC1=CC=C2SN=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020144678	1	38	-1.0	-42.88	318.91	5.62	-37.26
NC1=CC=CC=C1S(=O)(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144679	0	43	-1.0	-50.82	359.11	-0.59	-51.41
NC1=CC=CC=C1S(=O)(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144679	1	43	-1.0	-50.82	359.17	-0.56	-51.38
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Br)=C1	REAL300020144680	0	39	-1.0	-48.59	331.00	6.39	-42.20
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Br)=C1	REAL300020144680	1	39	-1.0	-48.56	331.06	6.42	-42.14
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(Br)=C1	REAL300020144681	0	42	-1.0	-45.23	356.51	7.35	-37.88
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(Br)=C1	REAL300020144681	1	42	-1.0	-45.23	356.57	7.37	-37.86
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144682	0	46	-1.0	-49.69	365.75	5.59	-44.10
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144682	1	46	-1.0	-49.68	365.81	5.61	-44.07
COC(=O)C12CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CC1)CC2	REAL300020144683	0	49	-1.0	-48.50	360.65	5.78	-42.72
COC(=O)C12CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CC1)CC2	REAL300020144683	1	49	-1.0	-48.53	360.71	5.80	-42.73
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC(F)=C2)CCOCC1	REAL300020144684	0	50	-1.0	-48.73	370.97	5.86	-42.87
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC(F)=C2)CCOCC1	REAL300020144684	1	50	-1.0	-48.78	371.03	5.89	-42.89
CC1=CC=CC(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144685	0	36	-1.0	-47.16	309.57	5.58	-41.58
CC1=CC=CC(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144685	1	36	-1.0	-47.17	309.63	5.60	-41.57
O=C(CC1=C(Br)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144686	0	33	-1.0	-45.80	304.37	5.10	-40.70
O=C(CC1=C(Br)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144686	1	33	-1.0	-45.79	304.43	5.13	-40.66
COC1=CC=CC(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144687	0	44	-1.0	-46.83	354.06	4.38	-42.45
COC1=CC=CC(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144687	1	44	-1.0	-46.80	354.12	4.41	-42.39
CC1=NC(C2CC2)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144688	0	42	-1.0	-45.05	334.82	5.28	-39.77
CC1=NC(C2CC2)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144688	1	42	-1.0	-45.06	334.88	5.31	-39.75
O=C(C1=CN=C(OC2CCCCC2)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144689	0	49	-1.0	-41.90	397.31	5.53	-36.37
O=C(C1=CN=C(OC2CCCCC2)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144689	1	49	-1.0	-41.94	397.25	5.51	-36.43
COC1=CC=CC=C1C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020144690	0	53	-1.0	-48.68	379.92	7.00	-41.68
COC1=CC=CC=C1C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020144690	1	53	-1.0	-48.67	379.97	7.03	-41.64
CN(C)C1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020144691	0	48	-1.0	-48.87	370.83	6.76	-42.11
CN(C)C1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020144691	1	48	-1.0	-48.84	370.89	6.78	-42.06
O=C(C1=C(NC2=CC=CN=C2)SC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144692	0	40	-1.0	-48.84	336.86	3.40	-45.44
O=C(C1=C(NC2=CC=CN=C2)SC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144692	1	40	-1.0	-48.84	336.91	3.43	-45.41
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144693	0	44	-1.0	-53.42	351.65	4.60	-48.82
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144693	1	44	-1.0	-53.40	351.71	4.62	-48.78
CN1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300020144694	0	49	-1.0	-44.21	380.76	4.35	-39.86
CN1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C1N2	REAL300020144694	1	49	-1.0	-44.15	380.82	4.38	-39.77
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300020144694	1	50	0.0	-80.19	383.39	6.75	-73.44
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300020144694	1	50	0.0	-80.60	383.40	6.75	-73.85
O=C(C1CCCC2=C1NN=N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144695	0	39	-1.0	-50.70	306.86	1.98	-48.72
O=C(C1CCCC2=C1NN=N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144695	1	39	-1.0	-50.67	306.92	2.00	-48.67
CC(C)(C)OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020144696	0	45	-1.0	-40.00	345.22	4.47	-35.53
CC(C)(C)OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020144696	1	45	-1.0	-40.00	345.16	4.44	-35.56
O=C(C1=CNC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144697	0	34	-1.0	-44.83	296.31	3.40	-41.43
O=C(C1=CNC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144697	1	34	-1.0	-44.78	296.36	3.42	-41.36
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(Br)CC1	REAL300020144698	0	30	-1.0	-42.94	264.55	3.64	-39.30
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(Br)CC1	REAL300020144698	1	30	-1.0	-42.98	264.61	3.66	-39.32
CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020144699	0	57	-1.0	-54.68	415.57	7.58	-47.10
CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020144699	1	57	-1.0	-54.70	415.62	7.60	-47.10
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020144700	0	53	-1.0	-55.00	391.98	6.05	-48.95
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020144700	1	53	-1.0	-55.00	392.04	6.07	-48.93
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1F	REAL300020144701	0	38	-1.0	-49.10	333.41	5.95	-43.15
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1F	REAL300020144701	1	38	-1.0	-49.07	333.46	5.98	-43.09
CC1=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020144702	0	41	-1.0	-44.60	332.50	6.28	-38.32
CC1=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020144702	1	41	-1.0	-44.63	332.44	6.25	-38.38
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1C	REAL300020144703	0	40	-1.0	-45.06	324.66	4.39	-40.67
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1C	REAL300020144703	1	40	-1.0	-45.08	324.71	4.41	-40.67
CCS(=O)(=O)NC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144704	0	40	-1.0	-44.02	326.48	-0.85	-44.87
CCS(=O)(=O)NC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144704	1	40	-1.0	-44.01	326.54	-0.82	-44.83
O=C(C1=CC(=O)NC(C2CC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144705	0	39	-1.0	-43.34	327.18	2.83	-40.51
O=C(C1=CC(=O)NC(C2CC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144705	1	39	-1.0	-43.36	327.23	2.85	-40.51
CC1=CC(=O)NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020144706	0	42	-1.0	-48.88	339.51	4.01	-44.87
CC1=CC(=O)NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020144706	1	42	-1.0	-48.90	339.57	4.04	-44.86
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2Br)CC1	REAL300020144707	0	43	-1.0	-48.20	351.46	7.85	-40.35
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2Br)CC1	REAL300020144707	1	43	-1.0	-48.14	351.51	7.88	-40.26
CS(=O)(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020144708	0	43	-1.0	-53.22	325.28	-0.17	-53.39
CS(=O)(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020144708	1	43	-1.0	-53.23	325.34	-0.14	-53.37
O=C(CC1=CC=CC(Cl)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144709	0	36	-1.0	-50.66	316.31	5.99	-44.67
O=C(CC1=CC=CC(Cl)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144709	1	36	-1.0	-50.66	316.37	6.01	-44.65
CCC1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCN1C(=O)OC(C)(C)C	REAL300020144710	0	56	-1.0	-51.41	408.64	6.10	-45.31
CCC1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCN1C(=O)OC(C)(C)C	REAL300020144710	1	56	-1.0	-51.45	408.70	6.12	-45.33
CC(C)OC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020144711	0	46	-1.0	-49.89	360.74	6.77	-43.12
CC(C)OC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020144711	1	46	-1.0	-49.90	360.80	6.79	-43.11
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C2OCOC2=C1	REAL300020144712	0	45	-1.0	-45.85	338.30	4.57	-41.28
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C2OCOC2=C1	REAL300020144712	1	45	-1.0	-45.81	338.35	4.59	-41.22
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144713	0	37	-1.0	-40.84	327.56	3.43	-37.41
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144713	1	37	-1.0	-40.89	327.62	3.46	-37.43
O=C(C1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020144714	0	35	-1.0	-49.72	333.75	6.37	-43.35
O=C(C1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020144714	1	35	-1.0	-49.73	333.80	6.40	-43.33
CC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144715	0	39	-1.0	-45.28	328.18	6.13	-39.15
CC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144715	1	39	-1.0	-45.32	328.24	6.16	-39.16
O=C(C1=CC=C(C2CCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144716	0	46	-1.0	-45.24	354.06	7.62	-37.62
O=C(C1=CC=C(C2CCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144716	1	46	-1.0	-45.22	354.12	7.64	-37.58
O=C(C1CCN(C2=CC=CC=C2Cl)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144717	0	45	-1.0	-52.11	355.81	5.36	-46.75
O=C(C1CCN(C2=CC=CC=C2Cl)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144717	1	45	-1.0	-52.10	355.87	5.39	-46.71
CC1=CC=C2SC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020144718	0	39	-1.0	-40.17	327.87	6.44	-33.73
CC1=CC=C2SC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020144718	1	39	-1.0	-40.18	327.92	6.47	-33.71
O=C(CCCC1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144719	0	42	-1.0	-48.87	350.28	7.41	-41.46
O=C(CCCC1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144719	1	42	-1.0	-48.88	350.34	7.44	-41.44
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144720	0	48	-1.0	-64.88	374.26	6.43	-58.45
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144720	1	48	-1.0	-64.85	374.32	6.46	-58.39
O=C(COC1=CC(F)=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144721	0	37	-1.0	-48.65	316.41	5.48	-43.17
O=C(COC1=CC(F)=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144721	1	37	-1.0	-48.63	316.46	5.51	-43.12
O=C(C1CCN(C2=CC=CC=C2F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144722	0	45	-1.0	-54.19	347.63	4.83	-49.36
O=C(C1CCN(C2=CC=CC=C2F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144722	1	45	-1.0	-54.19	347.69	4.86	-49.33
COC(=O)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=CO1	REAL300020144723	0	42	-1.0	-52.32	354.64	4.95	-47.37
COC(=O)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=CO1	REAL300020144723	1	42	-1.0	-52.33	354.70	4.97	-47.36
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CN=C2)CCCC1	REAL300020144724	0	45	-1.0	-44.86	333.81	5.77	-39.09
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CN=C2)CCCC1	REAL300020144724	1	45	-1.0	-44.86	333.75	5.75	-39.11
O=C(C1=CC=C(C2=CCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144725	0	44	-1.0	-44.99	351.24	7.77	-37.22
O=C(C1=CC=C(C2=CCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144725	1	44	-1.0	-45.02	351.30	7.80	-37.22
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020144726	0	45	-1.0	-45.21	353.94	6.96	-38.25
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020144726	1	45	-1.0	-45.20	354.00	6.99	-38.21
O=C(C1=CON=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144727	0	32	-1.0	-49.24	284.26	3.05	-46.19
O=C(C1=CON=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144727	1	32	-1.0	-49.24	284.20	3.02	-46.22
CN(C)C1=NC(N)=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020144728	0	40	-1.0	-42.76	328.63	5.61	-37.15
CN(C)C1=NC(N)=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020144728	1	40	-1.0	-42.76	328.57	5.58	-37.18
C=CC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)(C2=CC=CC=C2)CC1	REAL300020144729	0	54	-1.0	-48.26	401.09	6.80	-41.46
C=CC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)(C2=CC=CC=C2)CC1	REAL300020144729	1	54	-1.0	-48.26	401.14	6.83	-41.43
O=C(NC1=CC=CC=C1)N1CCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144730	0	49	-1.0	-61.59	381.03	6.48	-55.11
O=C(NC1=CC=CC=C1)N1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144730	1	49	-1.0	-61.60	381.09	6.51	-55.09
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL300020144731	0	44	-1.0	-49.18	335.51	3.03	-46.15
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL300020144731	1	44	-1.0	-49.16	335.56	3.05	-46.11
O=C(C=CCN1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144732	0	43	-1.0	-37.82	336.75	1.58	-36.24
O=C(C=CCN1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144732	1	43	-1.0	-37.82	336.81	1.60	-36.22
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(Cl)C=N1	REAL300020144733	0	38	-1.0	-49.13	342.38	0.58	-48.55
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(Cl)C=N1	REAL300020144733	1	38	-1.0	-49.10	342.32	0.55	-48.55
O=C(C1CCC2=NN=CN2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144734	0	39	-1.0	-41.47	308.13	5.39	-36.08
O=C(C1CCC2=NN=CN2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144734	1	39	-1.0	-41.46	308.19	5.41	-36.05
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144735	0	42	-1.0	-52.11	354.11	4.40	-47.71
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144735	1	42	-1.0	-52.14	354.17	4.42	-47.72
COCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020144736	0	44	-1.0	-49.46	323.64	1.58	-47.88
COCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020144736	1	44	-1.0	-49.43	323.70	1.61	-47.82
CSCC1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144737	0	39	-1.0	-49.04	333.92	4.46	-44.58
CSCC1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144737	1	39	-1.0	-49.02	333.87	4.43	-44.59
O=C(C1CCCCCC(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144738	0	44	-1.0	-41.32	321.41	5.09	-36.23
O=C(C1CCCCCC(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144738	1	44	-1.0	-41.29	321.46	5.12	-36.17
CC(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020144739	0	41	-1.0	-41.07	325.28	5.37	-35.70
CC(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020144739	1	41	-1.0	-41.06	325.22	5.34	-35.72
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144740	0	55	-1.0	-52.44	407.98	3.18	-49.26
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144740	1	55	-1.0	-52.48	408.04	3.21	-49.27
CN(C)S(=O)(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144741	0	39	-1.0	-51.85	325.89	-1.68	-53.53
CN(C)S(=O)(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144741	1	39	-1.0	-51.88	325.95	-1.65	-53.53
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(Br)S1	REAL300020144742	0	32	-1.0	-39.96	294.14	3.71	-36.25
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(Br)S1	REAL300020144742	1	32	-1.0	-40.01	294.19	3.73	-36.28
O=C(CC1=CN=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144743	0	35	-1.0	-48.02	304.11	4.12	-43.90
O=C(CC1=CN=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144743	1	35	-1.0	-48.01	304.05	4.09	-43.92
O=C(C1=CC=CC=C1OC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144744	0	41	-1.0	-53.54	326.51	6.35	-47.19
O=C(C1=CC=CC=C1OC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144744	1	41	-1.0	-53.54	326.57	6.37	-47.17
O=C(C1=CN=C2NC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144745	0	36	-1.0	-46.31	301.11	0.51	-45.80
O=C(C1=CN=C2NC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144745	1	36	-1.0	-46.32	301.17	0.53	-45.79
O=C(C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144746	0	41	-1.0	-43.31	354.65	7.03	-36.28
O=C(C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144746	1	41	-1.0	-43.33	354.59	7.00	-36.33
CCOC(=O)C(C)(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144747	0	44	-1.0	-42.45	343.41	5.29	-37.16
CCOC(=O)C(C)(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144747	1	44	-1.0	-42.51	343.47	5.32	-37.19
CCOC(=O)NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=CS1	REAL300020144748	0	40	-1.0	-45.42	340.05	1.96	-43.46
CCOC(=O)NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=CS1	REAL300020144748	1	40	-1.0	-45.40	340.11	1.99	-43.41
O=C(C1=CC=NC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144749	0	35	-1.0	-46.01	305.92	3.81	-42.20
O=C(C1=CC=NC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144749	1	35	-1.0	-46.02	305.87	3.79	-42.23
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)O	REAL300020144750	0	53	-1.0	-42.98	390.22	0.26	-42.72
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)O	REAL300020144750	1	53	-1.0	-43.03	390.28	0.29	-42.74
O=C(C1=CC=CC2=C1NC(=O)N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144751	0	37	-1.0	-53.11	306.91	1.26	-51.85
O=C(C1=CC=CC2=C1NC(=O)N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144751	1	37	-1.0	-53.08	306.97	1.29	-51.79
CS(=O)(=O)C1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020144752	0	37	-1.0	-48.78	321.46	-1.02	-49.80
CS(=O)(=O)C1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020144752	1	37	-1.0	-48.82	321.40	-1.04	-49.86
CC1=CSC(NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020144753	0	44	-1.0	-47.71	365.45	5.34	-42.37
CC1=CSC(NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020144753	1	44	-1.0	-47.68	365.39	5.32	-42.36
NC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC(N2CCOCC2)=N1	REAL300020144754	0	45	-1.0	-46.43	360.71	3.49	-42.94
NC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC(N2CCOCC2)=N1	REAL300020144754	1	45	-1.0	-46.46	360.65	3.46	-43.00
O=C(C1=CN=C(OCC(F)F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144755	0	38	-1.0	-42.09	326.62	1.36	-40.73
O=C(C1=CN=C(OCC(F)F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144755	1	38	-1.0	-42.09	326.56	1.33	-40.76
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=CS1	REAL300020144756	0	38	-1.0	-47.90	320.93	3.57	-44.33
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=CS1	REAL300020144756	1	38	-1.0	-47.89	320.88	3.54	-44.35
CC1=CC=CC=C1C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020144757	0	49	-1.0	-46.10	350.16	7.29	-38.81
CC1=CC=CC=C1C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020144757	1	49	-1.0	-46.11	350.22	7.32	-38.79
O=C(C1=CN(C2CCOCC2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144758	0	43	-1.0	-45.19	340.62	2.18	-43.01
O=C(C1=CN(C2CCOCC2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144758	1	43	-1.0	-45.16	340.56	2.15	-43.01
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144759	0	47	-1.0	-57.60	372.72	1.42	-56.18
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144759	1	47	-1.0	-57.61	372.77	1.45	-56.16
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144760	0	52	-1.0	-54.30	408.97	4.78	-49.52
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144760	1	52	-1.0	-54.26	409.03	4.81	-49.45
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300020144761	0	47	-1.0	-53.36	355.39	3.75	-49.61
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300020144761	1	47	-1.0	-53.36	355.45	3.78	-49.58
CN1C=C(C2=NC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020144762	0	42	-1.0	-52.96	344.73	3.84	-49.12
CN1C=C(C2=NC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020144762	1	42	-1.0	-52.91	344.68	3.82	-49.09
O=C(C1=CNC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144763	0	40	-1.0	-47.68	329.65	5.73	-41.95
O=C(C1=CNC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144763	1	40	-1.0	-47.69	329.71	5.75	-41.94
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC(=O)C1	REAL300020144764	0	42	-1.0	-51.39	332.42	5.69	-45.70
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC(=O)C1	REAL300020144764	1	42	-1.0	-51.43	332.48	5.71	-45.72
CC1=CC=CC(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144765	0	36	-1.0	-46.79	313.85	5.68	-41.11
CC1=CC=CC(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144765	1	36	-1.0	-46.80	313.91	5.71	-41.09
O=C(C1=NC2=CC=CC=C2C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144766	0	38	-1.0	-47.18	326.28	5.98	-41.20
O=C(C1=NC2=CC=CC=C2C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144766	1	38	-1.0	-47.20	326.22	5.95	-41.25
O=C(C1=CC(C(F)(F)F)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144767	0	32	-1.0	-37.21	287.44	3.07	-34.14
O=C(C1=CC(C(F)(F)F)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144767	1	32	-1.0	-37.20	287.39	3.04	-34.16
O=C(C1=NC2=CN=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144768	0	34	-1.0	-43.23	297.45	3.08	-40.15
O=C(C1=NC2=CN=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144768	1	34	-1.0	-43.26	297.39	3.05	-40.21
CCOC(=O)C(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)=O	REAL300020144769	0	43	-1.0	-47.12	352.36	4.62	-42.50
CCOC(=O)C(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)=O	REAL300020144769	1	43	-1.0	-47.11	352.42	4.65	-42.46
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144770	0	50	0.0	-76.68	369.84	6.69	-69.99
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144770	1	50	0.0	-76.73	369.90	6.72	-70.01
COC1=C(Cl)C=C2NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020144771	0	41	-1.0	-52.78	348.19	4.30	-48.48
COC1=C(Cl)C=C2NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020144771	1	41	-1.0	-52.76	348.25	4.32	-48.44
O=C(C1CC(C2=CC=CC=C2)OC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144772	0	43	-1.0	-48.68	344.19	6.35	-42.33
O=C(C1CC(C2=CC=CC=C2)OC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144772	1	43	-1.0	-48.72	344.24	6.38	-42.34
CC1=C2SC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=CC=C1	REAL300020144773	0	39	-1.0	-45.30	327.75	6.48	-38.82
CC1=C2SC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=CC=C1	REAL300020144773	1	39	-1.0	-45.28	327.80	6.50	-38.78
CN1N=NC(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144774	0	32	-1.0	-42.15	292.56	1.44	-40.71
CN1N=NC(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144774	1	32	-1.0	-42.12	292.50	1.41	-40.71
O=C(C1=C(F)C=C(C(F)(F)F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144775	0	36	-1.0	-44.84	325.49	5.70	-39.14
O=C(C1=C(F)C=C(C(F)(F)F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144775	1	36	-1.0	-44.85	325.55	5.72	-39.13
CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1O	REAL300020144776	0	40	-1.0	-46.80	321.70	3.11	-43.69
CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1O	REAL300020144776	1	40	-1.0	-46.80	321.76	3.13	-43.67
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144777	0	49	0.0	-68.34	372.49	7.53	-60.81
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144777	1	49	0.0	-68.38	371.78	7.47	-60.91
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144777	1	49	0.0	-68.34	372.54	7.56	-60.78
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144777	1	49	0.0	-68.42	371.83	7.50	-60.92
O=C(C1=NC=C(Br)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144778	0	29	-1.0	-36.87	277.25	2.26	-34.61
O=C(C1=NC=C(Br)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144778	1	29	-1.0	-36.90	277.19	2.23	-34.67
O=C(C1=CC=CC2=C1NC(=O)C=C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144779	0	39	-1.0	-58.78	319.46	3.64	-55.14
O=C(C1=CC=CC2=C1NC(=O)C=C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144779	1	39	-1.0	-58.74	319.52	3.67	-55.07
O=C(CCOC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144780	0	46	-1.0	-46.99	370.59	7.37	-39.62
O=C(CCOC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144780	1	46	-1.0	-46.96	370.65	7.39	-39.57
O=C(C1=CC=CC=C1S(=O)(=O)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144781	0	39	-1.0	-52.94	336.76	4.33	-48.61
O=C(C1=CC=CC=C1S(=O)(=O)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144781	1	39	-1.0	-52.89	336.82	4.35	-48.54
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL300020144782	0	37	-1.0	-44.19	311.17	3.30	-40.89
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL300020144782	1	37	-1.0	-44.25	311.23	3.33	-40.92
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144783	0	52	-1.0	-43.04	384.56	3.68	-39.36
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144783	1	52	-1.0	-43.05	384.61	3.71	-39.34
COCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020144784	0	57	-1.0	-59.86	426.40	3.83	-56.03
COCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020144784	1	57	-1.0	-59.82	426.46	3.86	-55.96
O=C(C1=NC2=CC=CC=C2C=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144785	0	38	-1.0	-47.93	335.61	5.49	-42.44
O=C(C1=NC2=CC=CC=C2C=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144785	1	38	-1.0	-47.95	335.55	5.47	-42.48
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144786	0	46	-1.0	-38.29	377.35	8.45	-29.84
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144786	1	46	-1.0	-38.24	377.41	8.47	-29.77
CN1C=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CN=C21	REAL300020144787	0	38	-1.0	-56.49	314.53	5.00	-51.49
CN1C=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CN=C21	REAL300020144787	1	38	-1.0	-56.50	314.48	4.97	-51.53
O=C(C1=C(C2CC2)N=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144788	0	35	-1.0	-41.57	302.36	3.24	-38.33
O=C(C1=C(C2CC2)N=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144788	1	35	-1.0	-41.60	302.42	3.27	-38.33
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CC2)=N1	REAL300020144789	0	40	-1.0	-40.35	326.16	4.41	-35.94
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CC2)=N1	REAL300020144789	1	40	-1.0	-40.38	326.21	4.44	-35.94
O=C(C1=CC=C2NC(=O)CSC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144790	0	39	-1.0	-48.77	330.46	3.47	-45.30
O=C(C1=CC=C2NC(=O)CSC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144790	1	39	-1.0	-48.78	330.52	3.49	-45.29
CCCC1=NN=C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)N1N	REAL300020144791	0	44	-1.0	-46.52	371.57	4.54	-41.98
CCCC1=NN=C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)N1N	REAL300020144791	1	44	-1.0	-46.48	371.63	4.57	-41.91
CCCC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020144792	0	41	-1.0	-37.78	329.08	2.29	-35.49
CCCC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020144792	1	41	-1.0	-37.80	329.13	2.32	-35.48
CC1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020144793	0	56	-1.0	-47.52	411.04	5.83	-41.69
CC1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020144793	1	56	-1.0	-47.55	411.10	5.85	-41.70
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300020144794	0	46	-1.0	-44.93	340.95	5.96	-38.97
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300020144794	1	46	-1.0	-44.92	341.01	5.99	-38.93
CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020144795	0	41	-1.0	-52.06	338.91	6.64	-45.42
CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020144795	1	41	-1.0	-52.08	338.97	6.67	-45.41
CC1(C)COC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020144796	0	44	-1.0	-45.91	347.26	5.41	-40.50
CC1(C)COC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020144796	1	44	-1.0	-45.91	347.32	5.44	-40.47
CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=N1	REAL300020144797	0	38	-1.0	-51.59	325.22	4.62	-46.97
CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=N1	REAL300020144797	1	38	-1.0	-51.56	325.27	4.65	-46.91
COC1=CC=CC(CC2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCCC2)=C1	REAL300020144798	0	56	-1.0	-50.44	403.11	7.40	-43.04
COC1=CC=CC(CC2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCCC2)=C1	REAL300020144798	1	56	-1.0	-50.44	403.16	7.43	-43.01
CC(C)[NH+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144799	0	48	0.0	-70.42	348.65	5.91	-64.51
CC(C)[NH+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144799	1	48	0.0	-70.37	348.70	5.93	-64.44
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(F)(CC1)CC2	REAL300020144800	0	43	-1.0	-44.77	311.95	5.27	-39.50
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(F)(CC1)CC2	REAL300020144800	1	43	-1.0	-44.79	312.01	5.29	-39.50
O=C(C1CCOC(C2=CC=CC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144801	0	45	-1.0	-50.04	347.63	5.58	-44.46
O=C(C1CCOC(C2=CC=CC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144801	1	45	-1.0	-50.03	347.69	5.61	-44.42
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2)CC(=O)C1	REAL300020144802	0	42	-1.0	-54.10	348.87	6.17	-47.93
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2)CC(=O)C1	REAL300020144802	1	42	-1.0	-54.13	348.93	6.19	-47.94
CC(C)C(=O)N[C@@H](CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144803	0	43	-1.0	-46.38	342.20	-1.06	-47.44
CC(C)C(=O)N[C@@H](CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144803	1	43	-1.0	-46.42	342.25	-1.03	-47.45
CN1N=NC2=C1CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CC2	REAL300020144804	0	42	-1.0	-41.43	328.55	3.28	-38.15
CN1N=NC2=C1CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CC2	REAL300020144804	1	42	-1.0	-41.44	328.60	3.30	-38.14
COC1=CC=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NN=C21	REAL300020144805	0	40	-1.0	-43.09	326.26	2.77	-40.32
COC1=CC=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NN=C21	REAL300020144805	1	40	-1.0	-43.11	326.32	2.80	-40.31
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020144806	0	40	-2.0	-111.13	335.35	4.21	-106.92
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020144806	1	40	-2.0	-111.16	335.41	4.24	-106.92
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300020144807	0	45	-1.0	-56.24	374.28	3.59	-52.65
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300020144807	1	45	-1.0	-56.27	374.34	3.61	-52.66
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC(Cl)=C2)CCCCC1	REAL300020144808	0	52	-1.0	-48.62	390.34	8.62	-40.00
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC(Cl)=C2)CCCCC1	REAL300020144808	1	52	-1.0	-48.61	390.40	8.65	-39.96
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC(F)=C2)CCCCC1	REAL300020144809	0	52	-1.0	-48.88	380.03	8.17	-40.71
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC(F)=C2)CCCCC1	REAL300020144809	1	52	-1.0	-48.92	380.09	8.20	-40.72
CC(C)(C)OC(=O)N1CC(C(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144810	0	50	-1.0	-40.16	393.06	4.77	-35.39
CC(C)(C)OC(=O)N1CC(C(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144810	1	50	-1.0	-40.21	393.12	4.80	-35.41
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CS2)CCCCC1	REAL300020144811	0	49	-1.0	-49.98	364.52	7.35	-42.63
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CS2)CCCCC1	REAL300020144811	1	49	-1.0	-50.03	364.57	7.37	-42.66
CC1=NC(Cl)=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144812	0	35	-1.0	-40.39	317.09	4.14	-36.25
CC1=NC(Cl)=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144812	1	35	-1.0	-40.39	317.15	4.16	-36.23
CC1=NOC(CN2N=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C)=C1	REAL300020144813	0	44	-1.0	-48.15	363.56	3.91	-44.24
CC1=NOC(CN2N=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C)=C1	REAL300020144813	1	44	-1.0	-48.11	363.62	3.93	-44.18
CC1=CC(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020144814	0	45	-1.0	-45.29	350.18	7.23	-38.06
CC1=CC(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020144814	1	45	-1.0	-45.24	350.24	7.25	-37.99
CC(C)(C)C1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020144815	0	43	-1.0	-42.91	342.16	4.38	-38.53
CC(C)(C)C1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020144815	1	43	-1.0	-42.88	342.10	4.35	-38.53
CCOC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144816	0	42	-1.0	-46.33	347.14	6.03	-40.30
CCOC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144816	1	42	-1.0	-46.32	347.19	6.06	-40.26
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=CC(F)=CC=C21	REAL300020144817	0	39	-1.0	-39.99	330.33	6.53	-33.46
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=CC(F)=CC=C21	REAL300020144817	1	39	-1.0	-40.00	330.38	6.55	-33.45
O=C(C(O)C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144818	0	37	-1.0	-45.96	313.47	3.64	-42.32
O=C(C(O)C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144818	1	37	-1.0	-45.94	313.53	3.66	-42.28
O=C(C1=CN=NC(C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144819	0	41	-1.0	-38.83	336.65	5.17	-33.66
O=C(C1=CN=NC(C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144819	1	41	-1.0	-38.87	336.70	5.20	-33.67
COC1=CC=C(C2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CO2)C=C1	REAL300020144820	0	43	-1.0	-48.01	354.57	2.09	-45.92
COC1=CC=C(C2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CO2)C=C1	REAL300020144820	1	43	-1.0	-48.05	354.52	2.07	-45.98
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144821	0	47	-1.0	-46.96	369.73	6.92	-40.04
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144821	1	47	-1.0	-46.94	369.67	6.89	-40.05
CN1C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN=C1C1=CC=CC=C1	REAL300020144822	0	45	-1.0	-58.71	364.64	6.79	-51.92
CN1C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=CC=C1	REAL300020144822	1	45	-1.0	-58.73	364.70	6.81	-51.92
O=C(C1=CNN=C1C1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144823	0	39	-1.0	-54.67	323.62	3.29	-51.38
O=C(C1=CNN=C1C1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144823	1	39	-1.0	-54.65	323.68	3.32	-51.33
CC(=O)C1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=C(C)C=C2O1	REAL300020144824	0	47	-1.0	-51.07	384.37	7.08	-43.99
CC(=O)C1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=C(C)C=C2O1	REAL300020144824	1	47	-1.0	-51.13	384.42	7.11	-44.02
O=C(CCSC1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144825	0	40	-1.0	-44.74	351.59	7.21	-37.53
O=C(CCSC1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144825	1	40	-1.0	-44.72	351.65	7.24	-37.48
CN(C(=O)OC(C)(C)C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144826	0	50	-1.0	-45.25	398.47	5.82	-39.43
CN(C(=O)OC(C)(C)C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144826	1	50	-1.0	-45.22	398.53	5.84	-39.38
O=C(C1=CN=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144827	0	35	-1.0	-43.08	304.50	3.61	-39.47
O=C(C1=CN=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144827	1	35	-1.0	-43.11	304.45	3.58	-39.53
O=C(COCC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144828	0	39	-1.0	-52.96	324.06	4.10	-48.86
O=C(COCC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144828	1	39	-1.0	-52.97	324.12	4.13	-48.84
O=C(C(O)C1=CC=C(Cl)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144829	0	37	-1.0	-42.96	315.84	3.51	-39.45
O=C(C(O)C1=CC=C(Cl)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144829	1	37	-1.0	-42.94	315.90	3.53	-39.41
O=C(CC1(C(F)(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144830	0	36	-1.0	-47.61	300.07	4.79	-42.82
O=C(CC1(C(F)(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144830	1	36	-1.0	-47.64	300.13	4.81	-42.83
O=C(COCC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144831	0	39	-1.0	-53.46	324.07	4.10	-49.36
O=C(COCC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144831	1	39	-1.0	-53.47	324.01	4.08	-49.39
O=C(C1=CC(Cl)=NC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144832	0	32	-1.0	-41.80	301.51	3.71	-38.09
O=C(C1=CC(Cl)=NC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144832	1	32	-1.0	-41.80	301.46	3.68	-38.12
O=C(C1=CC2=C(N1)SC(Cl)=C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144833	0	34	-1.0	-42.76	308.21	4.60	-38.16
O=C(C1=CC2=C(N1)SC(Cl)=C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144833	1	34	-1.0	-42.82	308.27	4.63	-38.19
COC(C)(C)C1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144834	0	45	-1.0	-39.79	362.33	3.17	-36.62
COC(C)(C)C1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144834	1	45	-1.0	-39.79	362.39	3.19	-36.60
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144835	0	39	-1.0	-52.98	337.82	4.26	-48.72
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144835	1	39	-1.0	-52.98	337.88	4.28	-48.70
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144836	0	39	-1.0	-52.34	353.28	4.76	-47.58
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144836	1	39	-1.0	-52.34	353.34	4.78	-47.56
O=C([C@@H]1C[C@H]1C1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144837	0	40	-1.0	-51.76	327.61	6.80	-44.96
O=C([C@@H]1C[C@H]1C1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144837	1	40	-1.0	-51.79	327.66	6.82	-44.97
O=C([C@@H]1C[C@H]1C1=CC=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144838	0	40	-1.0	-48.25	343.38	7.38	-40.87
O=C([C@@H]1C[C@H]1C1=CC=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144838	1	40	-1.0	-48.28	343.43	7.40	-40.88
CN1C=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020144839	0	40	-1.0	-48.43	326.59	4.61	-43.82
CN1C=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020144839	1	40	-1.0	-48.44	326.53	4.58	-43.86
O=C(C1=NC2=NC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144840	0	37	-1.0	-49.93	305.92	4.71	-45.22
O=C(C1=NC2=NC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144840	1	37	-1.0	-49.96	305.86	4.68	-45.28
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=NC2=C(N)N=CN=C21	REAL300020144841	0	42	-1.0	-41.20	342.45	4.05	-37.15
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=NC2=C(N)N=CN=C21	REAL300020144841	1	42	-1.0	-41.15	342.51	4.08	-37.07
O=C(CC(C1=CC=C(O)C=C1)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144842	0	47	-1.0	-46.73	372.22	5.31	-41.42
O=C(CC(C1=CC=C(O)C=C1)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144842	1	47	-1.0	-46.72	372.28	5.34	-41.38
O=C(C1CCC2=NN=NN2CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144843	0	41	-1.0	-40.72	319.35	2.84	-37.88
O=C(C1CCC2=NN=NN2CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144843	1	41	-1.0	-40.77	319.41	2.87	-37.90
CC1(C2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)OCCO1	REAL300020144844	0	41	-1.0	-45.96	344.08	1.87	-44.09
CC1(C2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)OCCO1	REAL300020144844	1	41	-1.0	-45.93	344.02	1.85	-44.08
O=C(CCCC(O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144845	0	46	-1.0	-49.85	366.20	4.70	-45.15
O=C(CCCC(O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144845	1	46	-1.0	-49.86	366.26	4.73	-45.13
CC(C)(C)OC(=O)NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC=C1	REAL300020144846	0	47	-1.0	-46.19	368.95	3.14	-43.05
CC(C)(C)OC(=O)NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC=C1	REAL300020144846	1	47	-1.0	-46.19	369.01	3.17	-43.02
O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144847	0	50	-1.0	-50.88	381.53	5.34	-45.54
O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144847	1	50	-1.0	-50.89	381.59	5.37	-45.52
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144848	0	44	-1.0	-50.02	351.58	6.07	-43.95
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144848	1	44	-1.0	-50.04	351.64	6.09	-43.95
O=C(C1=CC=CC=C1NCC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144849	0	47	-1.0	-48.10	378.97	5.52	-42.58
O=C(C1=CC=CC=C1NCC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144849	1	47	-1.0	-48.13	378.91	5.49	-42.64
O=C(C1=CC=CC=C1NCC1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144850	0	48	-1.0	-47.52	398.48	7.71	-39.81
O=C(C1=CC=CC=C1NCC1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144850	1	48	-1.0	-47.51	398.54	7.74	-39.77
O=C(C1=CC=C(I)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144851	0	32	-1.0	-38.52	292.68	4.57	-33.95
O=C(C1=CC=C(I)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144851	1	32	-1.0	-38.57	292.62	4.55	-34.02
CC(C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C(F)(F)F	REAL300020144852	0	42	-1.0	-45.42	345.45	6.62	-38.80
CC(C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C(F)(F)F	REAL300020144852	1	42	-1.0	-45.41	345.51	6.64	-38.77
O=C(C1CCN2C=CN=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144853	0	40	-1.0	-48.20	314.63	4.81	-43.39
O=C(C1CCN2C=CN=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144853	1	40	-1.0	-48.19	314.69	4.83	-43.36
CC1=NC2=CC=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144854	0	41	-1.0	-46.25	330.54	5.41	-40.84
CC1=NC2=CC=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144854	1	41	-1.0	-46.17	330.60	5.43	-40.74
CC1=CC=C(OC2=CC=CC=C2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144855	0	50	-1.0	-51.01	404.55	9.03	-41.98
CC1=CC=C(OC2=CC=CC=C2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144855	1	50	-1.0	-51.02	404.60	9.05	-41.97
O=C(C1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144856	0	46	-1.0	-50.31	383.61	4.42	-45.89
O=C(C1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144856	1	46	-1.0	-50.31	383.67	4.45	-45.86
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144857	0	46	-1.0	-47.23	357.84	6.89	-40.34
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144857	1	46	-1.0	-47.21	357.90	6.91	-40.30
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CC2)=N1	REAL300020144858	0	42	-1.0	-46.16	337.53	5.56	-40.60
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CC2)=N1	REAL300020144858	1	42	-1.0	-46.16	337.59	5.59	-40.57
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020144859	0	41	-1.0	-63.75	355.49	3.46	-60.29
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020144859	1	41	-1.0	-63.74	355.55	3.48	-60.26
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020144860	0	38	-1.0	-52.08	330.86	7.03	-45.05
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020144860	1	38	-1.0	-52.07	330.92	7.06	-45.01
O=C([C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144861	0	43	-1.0	-52.96	355.40	7.57	-45.39
O=C([C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144861	1	43	-1.0	-52.99	355.46	7.60	-45.39
O=C([C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144862	0	43	-1.0	-47.03	360.58	7.77	-39.26
O=C([C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144862	1	43	-1.0	-47.04	360.64	7.80	-39.24
CC(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144863	0	44	-1.0	-39.62	341.87	5.90	-33.72
CC(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144863	1	44	-1.0	-39.63	341.93	5.93	-33.70
O=C(CC1CS(=O)(=O)C2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144864	0	44	-1.0	-59.01	366.02	3.09	-55.92
O=C(CC1CS(=O)(=O)C2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144864	1	44	-1.0	-59.01	366.08	3.12	-55.89
O=C(COCC1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144865	0	40	-1.0	-51.53	345.91	6.37	-45.16
O=C(COCC1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144865	1	40	-1.0	-51.52	345.97	6.40	-45.12
CC(CC1=CN(C)N=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144866	0	42	-1.0	-47.68	334.88	4.35	-43.33
CC(CC1=CN(C)N=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144866	1	42	-1.0	-47.70	334.83	4.33	-43.37
CC1=CC=C(OC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2)C=C1	REAL300020144867	0	46	-1.0	-41.15	375.66	7.01	-34.14
CC1=CC=C(OC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2)C=C1	REAL300020144867	1	46	-1.0	-41.11	375.60	6.99	-34.12
O=C(C1=CC(Br)=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144868	0	30	-1.0	-36.37	272.78	3.28	-33.09
O=C(C1=CC(Br)=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144868	1	30	-1.0	-36.39	272.83	3.30	-33.09
CC1=CC(OCC2=CC=CC=C2)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144869	0	47	-1.0	-43.16	393.82	7.55	-35.61
CC1=CC(OCC2=CC=CC=C2)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144869	1	47	-1.0	-43.13	393.88	7.58	-35.55
C[C@H]1CC[C@@](C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020144870	0	48	-1.0	-46.02	329.67	5.82	-40.20
C[C@H]1CC[C@@](C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020144870	1	48	-1.0	-46.02	329.72	5.84	-40.18
O=C(C1=CC=C(NC2=NC=CS2)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144871	0	41	-1.0	-39.70	348.89	4.89	-34.81
O=C(C1=CC=C(NC2=NC=CS2)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144871	1	41	-1.0	-39.70	348.83	4.87	-34.83
O=C(C1=CC=C(OC2=CC=CC(F)=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144872	0	43	-1.0	-40.62	359.89	6.47	-34.15
O=C(C1=CC=C(OC2=CC=CC(F)=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144872	1	43	-1.0	-40.59	359.83	6.44	-34.15
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1NC(N)=O	REAL300020144873	0	43	-1.0	-52.42	342.45	1.03	-51.39
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1NC(N)=O	REAL300020144873	1	43	-1.0	-52.40	342.51	1.06	-51.34
CCON1CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144874	0	48	-1.0	-47.31	359.88	3.80	-43.51
CCON1CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144874	1	48	-1.0	-47.31	359.94	3.82	-43.49
CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020144875	0	46	-1.0	-41.35	374.86	7.05	-34.30
CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020144875	1	46	-1.0	-41.37	374.80	7.03	-34.34
O=C(CC1=CC=CC=C1OC1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144876	0	50	-1.0	-48.47	388.05	7.69	-40.78
O=C(CC1=CC=CC=C1OC1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144876	1	50	-1.0	-48.47	388.11	7.72	-40.75
O=C(C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144877	0	43	-1.0	-40.26	370.21	6.93	-33.33
O=C(C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144877	1	43	-1.0	-40.28	370.16	6.91	-33.37
COC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020144878	0	44	-1.0	-48.38	370.34	6.32	-42.06
COC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020144878	1	44	-1.0	-48.40	370.40	6.35	-42.05
CC1=CC=CC(OC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2)=C1	REAL300020144879	0	46	-1.0	-41.25	374.89	7.09	-34.16
CC1=CC=CC(OC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2)=C1	REAL300020144879	1	46	-1.0	-41.17	374.83	7.06	-34.11
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144880	0	45	-1.0	-44.43	353.77	7.02	-37.41
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144880	1	45	-1.0	-44.46	353.83	7.04	-37.42
O=C(C1=C(N2C=CN=N2)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144881	0	36	-1.0	-59.78	316.27	3.63	-56.15
O=C(C1=C(N2C=CN=N2)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144881	1	36	-1.0	-59.78	316.21	3.61	-56.17
CC(C)(C)OC(=O)NCC1OCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144882	0	54	-1.0	-49.36	411.71	2.10	-47.26
CC(C)(C)OC(=O)NCC1OCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144882	1	54	-1.0	-49.32	411.77	2.12	-47.20
CC1=CC(C(=O)OC(C)(C)C)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144883	0	51	-1.0	-45.81	401.65	7.80	-38.01
CC1=CC(C(=O)OC(C)(C)C)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144883	1	51	-1.0	-45.77	401.71	7.83	-37.94
O=C(C=CC1=CC=C(C2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144884	0	44	-1.0	-46.64	352.69	8.05	-38.59
O=C(C=CC1=CC=C(C2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144884	1	44	-1.0	-46.69	352.74	8.07	-38.62
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144885	0	40	-1.0	-46.31	343.38	7.40	-38.91
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144885	1	40	-1.0	-46.29	343.44	7.42	-38.87
CC1=CC(Br)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144886	0	33	-1.0	-37.20	301.31	4.85	-32.35
CC1=CC(Br)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144886	1	33	-1.0	-37.20	301.37	4.87	-32.33
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144887	0	53	-1.0	-46.63	400.09	4.55	-42.08
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144887	1	53	-1.0	-46.67	400.14	4.58	-42.09
COC(=O)C1=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)OC=N1	REAL300020144888	0	41	-1.0	-51.39	344.66	1.57	-49.82
COC(=O)C1=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)OC=N1	REAL300020144888	1	41	-1.0	-51.40	344.60	1.54	-49.86
O=C(C1=C(Br)N=C2CCCCN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144889	0	40	-1.0	-46.44	339.90	5.15	-41.29
O=C(C1=C(Br)N=C2CCCCN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144889	1	40	-1.0	-46.46	339.95	5.17	-41.29
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144890	0	44	-1.0	-35.91	363.46	6.03	-29.88
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144890	1	44	-1.0	-35.91	363.51	6.05	-29.86
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144891	0	49	0.0	-70.20	362.08	6.44	-63.76
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144891	1	49	0.0	-70.25	362.13	6.47	-63.78
NS(=O)(=O)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020144892	0	35	-1.0	-42.47	310.50	-1.44	-43.91
NS(=O)(=O)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020144892	1	35	-1.0	-42.43	310.55	-1.41	-43.84
NS(=O)(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144893	0	37	-1.0	-60.69	313.03	-1.78	-62.47
NS(=O)(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144893	1	37	-1.0	-60.68	313.08	-1.76	-62.44
COC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1S(N)(=O)=O	REAL300020144894	0	46	-1.0	-57.28	385.82	0.70	-56.58
COC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1S(N)(=O)=O	REAL300020144894	1	46	-1.0	-57.26	385.88	0.73	-56.53
CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144895	0	53	-1.0	-48.84	410.08	-0.40	-49.24
CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144895	1	53	-1.0	-48.83	410.14	-0.38	-49.21
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144896	0	38	-2.0	-106.37	329.16	-1.55	-107.92
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144896	1	38	-2.0	-106.35	329.22	-1.52	-107.87
NS(=O)(=O)C1=CC=C(O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144896	1	39	-1.0	-51.63	335.22	-3.17	-54.80
NS(=O)(=O)C1=CC=C(O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144896	1	39	-1.0	-51.71	335.27	-3.15	-54.86
NS(=O)(=O)C1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144897	0	42	-1.0	-56.55	357.78	0.32	-56.23
NS(=O)(=O)C1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144897	1	42	-1.0	-56.52	357.84	0.35	-56.17
NS(=O)(=O)C1=CC=C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144898	0	42	-1.0	-54.10	367.37	0.93	-53.17
NS(=O)(=O)C1=CC=C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144898	1	42	-1.0	-54.12	367.43	0.95	-53.17
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020144899	0	38	-1.0	-48.08	337.67	-0.06	-48.14
NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020144899	1	38	-1.0	-48.07	337.73	-0.04	-48.11
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144900	0	41	-1.0	-48.78	351.88	4.17	-44.61
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144900	1	41	-1.0	-48.73	351.93	4.19	-44.54
C[N@@H+]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020144901	0	49	0.0	-78.87	372.71	7.34	-71.53
C[N@H+]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020144901	1	49	0.0	-73.04	368.05	7.18	-65.86
C[N@@H+]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020144901	1	49	0.0	-78.88	372.77	7.37	-71.51
C[N@H+]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020144901	1	49	0.0	-73.05	368.10	7.20	-65.85
CN(C)C1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144902	0	40	-1.0	-42.72	319.37	3.58	-39.14
CN(C)C1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144902	1	40	-1.0	-42.65	319.31	3.56	-39.09
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144903	0	53	0.0	-68.44	385.63	4.36	-64.08
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144903	1	53	0.0	-68.48	385.68	4.38	-64.10
CCOC(CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1)OCC	REAL300020144904	0	50	-1.0	-50.42	395.74	4.02	-46.40
CCOC(CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1)OCC	REAL300020144904	1	50	-1.0	-50.41	395.69	3.99	-46.42
CCC1(CN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=N2)COC1	REAL300020144905	0	46	-1.0	-48.38	360.86	2.89	-45.49
CCC1(CN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=N2)COC1	REAL300020144905	1	46	-1.0	-48.37	360.80	2.87	-45.50
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144906	0	56	0.0	-66.59	407.09	5.15	-61.44
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144906	1	56	0.0	-66.55	407.15	5.18	-61.37
O=C(C1=CN=CC(C(F)(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144907	0	34	-1.0	-40.52	299.32	2.60	-37.92
O=C(C1=CN=CC(C(F)(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144907	1	34	-1.0	-40.52	299.26	2.57	-37.95
CC(C)(C)OC(=O)N1CCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144908	0	47	-1.0	-60.21	364.22	4.77	-55.44
CC(C)(C)OC(=O)N1CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144908	1	47	-1.0	-60.21	364.28	4.79	-55.42
CNC1=NC=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020144909	0	42	-1.0	-45.54	340.53	4.66	-40.88
CNC1=NC=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020144909	1	42	-1.0	-45.52	340.48	4.64	-40.88
O=C(C1=CC(F)=CC(N2CCOCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144910	0	46	-1.0	-44.09	360.30	3.30	-40.79
O=C(C1=CC(F)=CC(N2CCOCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144910	1	46	-1.0	-44.06	360.36	3.32	-40.74
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020144911	0	33	-1.0	-39.33	293.14	3.29	-36.04
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020144911	1	33	-1.0	-39.34	293.09	3.26	-36.08
COC1=CC(Cl)=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144912	0	37	-1.0	-47.35	323.40	4.32	-43.03
COC1=CC(Cl)=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144912	1	37	-1.0	-47.38	323.46	4.35	-43.03
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144913	0	43	-1.0	-46.39	356.66	6.24	-40.15
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144913	1	43	-1.0	-46.36	356.72	6.27	-40.09
CCSC1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144914	0	39	-1.0	-43.71	323.75	5.15	-38.56
CCSC1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144914	1	39	-1.0	-43.69	323.69	5.13	-38.56
C[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020144915	0	43	-1.0	-55.04	350.95	5.88	-49.16
C[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020144915	1	43	-1.0	-55.05	351.01	5.91	-49.14
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CN(C)N=C1	REAL300020144916	0	42	-1.0	-47.76	335.06	4.57	-43.19
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CN(C)N=C1	REAL300020144916	1	42	-1.0	-47.77	335.01	4.55	-43.22
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020144917	0	42	-1.0	-49.33	332.12	7.20	-42.13
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020144917	1	42	-1.0	-49.36	332.17	7.23	-42.13
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144918	0	46	-1.0	-36.91	377.45	6.37	-30.54
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144918	1	46	-1.0	-36.88	377.51	6.40	-30.48
O=C(C1CC1(F)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144919	0	40	-1.0	-52.00	325.62	6.77	-45.23
O=C(C1CC1(F)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144919	1	40	-1.0	-52.02	325.68	6.79	-45.23
O=C(C1=C(Br)N=C2CCCN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144920	0	37	-1.0	-48.02	322.39	4.60	-43.42
O=C(C1=C(Br)N=C2CCCN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144920	1	37	-1.0	-48.06	322.44	4.62	-43.44
CC1=CC=CC2=C1OC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020144921	0	41	-1.0	-51.79	326.56	6.11	-45.68
CC1=CC=CC2=C1OC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020144921	1	41	-1.0	-51.78	326.62	6.14	-45.64
CN1C=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)O2)C=N1	REAL300020144922	0	40	-1.0	-47.44	336.13	4.43	-43.01
CN1C=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)C=N1	REAL300020144922	1	40	-1.0	-47.40	336.07	4.40	-43.00
O=C(C1CCC2=NN=C(C3=CC=CC=C3)N2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144923	0	49	-1.0	-42.10	380.99	7.78	-34.32
O=C(C1CCC2=NN=C(C3=CC=CC=C3)N2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144923	1	49	-1.0	-42.08	381.04	7.80	-34.28
O=C(CC1=CC2=CC(Cl)=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144924	0	40	-1.0	-50.42	343.36	5.84	-44.58
O=C(CC1=CC2=CC(Cl)=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144924	1	40	-1.0	-50.42	343.42	5.86	-44.56
CC(C)CC1=CNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144925	0	43	-1.0	-47.44	336.27	5.39	-42.05
CC(C)CC1=CNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144925	1	43	-1.0	-47.44	336.32	5.42	-42.02
CC1=CC=CC(C2=NN=C3CCC(C(=O)N4CCCC(C5=N[N-]N=N5)C4)CN32)=C1	REAL300020144926	0	52	-1.0	-41.89	401.52	8.40	-33.49
CC1=CC=CC(C2=NN=C3CCC(C(=O)N4CCCC(C5=NN=N[N-]5)C4)CN32)=C1	REAL300020144926	1	52	-1.0	-41.88	401.58	8.42	-33.46
N#CC1=C(Br)C=CC=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144927	0	38	-1.0	-62.00	343.50	6.26	-55.74
N#CC1=C(Br)C=CC=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144927	1	38	-1.0	-62.02	343.55	6.28	-55.74
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144928	0	43	-1.0	-44.50	348.59	5.77	-38.73
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144928	1	43	-1.0	-44.49	348.53	5.74	-38.75
O=C([C@@H]1C[C@H]1C1=CC=CC(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144929	0	41	-1.0	-49.57	333.11	3.91	-45.66
O=C([C@@H]1C[C@H]1C1=CC=CC(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144929	1	41	-1.0	-49.61	333.17	3.93	-45.68
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144930	0	50	-1.0	-49.09	380.26	6.88	-42.21
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144930	1	50	-1.0	-49.13	380.31	6.91	-42.22
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020144931	0	45	0.0	-81.07	351.73	4.33	-76.74
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020144931	1	45	0.0	-81.08	351.67	4.30	-76.78
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144932	0	43	-1.0	-46.42	359.72	7.47	-38.95
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144932	1	43	-1.0	-46.44	359.77	7.49	-38.95
CCC(O)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020144933	0	46	-1.0	-45.60	351.92	5.12	-40.48
CCC(O)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020144933	1	46	-1.0	-45.60	351.97	5.15	-40.45
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=C(Cl)C=CC=C12	REAL300020144934	0	40	-1.0	-43.54	338.32	5.99	-37.55
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=C(Cl)C=CC=C12	REAL300020144934	1	40	-1.0	-43.55	338.38	6.02	-37.53
CC(=O)C1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020144935	0	34	-1.0	-39.23	299.79	2.31	-36.92
CC(=O)C1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020144935	1	34	-1.0	-39.23	299.85	2.34	-36.89
CN1N=CC(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144936	0	33	-1.0	-42.68	297.66	2.92	-39.76
CN1N=CC(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144936	1	33	-1.0	-42.66	297.60	2.89	-39.77
CC1=CC=CC(CS(=O)(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144937	0	48	-1.0	-51.56	401.11	4.61	-46.95
CC1=CC=CC(CS(=O)(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144937	1	48	-1.0	-51.55	401.16	4.64	-46.91
O=C(C1=C(C2=CC=CC=C2)C=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144938	0	41	-1.0	-49.34	330.88	6.34	-43.00
O=C(C1=C(C2=CC=CC=C2)C=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144938	1	41	-1.0	-49.30	330.94	6.36	-42.94
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144939	0	40	-1.0	-45.18	353.99	7.73	-37.45
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144939	1	40	-1.0	-45.21	354.04	7.76	-37.45
O=C(C1=NN2CCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144940	0	40	-1.0	-43.78	314.58	4.46	-39.32
O=C(C1=NN2CCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144940	1	40	-1.0	-43.80	314.64	4.48	-39.32
CCCCCCOC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144941	0	48	-1.0	-48.82	371.47	6.40	-42.42
CCCCCCOC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144941	1	48	-1.0	-48.84	371.53	6.43	-42.41
O=C(C1CC(=O)N(CCC2=CC=C(F)C=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144942	0	50	-1.0	-48.36	403.40	7.02	-41.34
O=C(C1CC(=O)N(CCC2=CC=C(F)C=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144942	1	50	-1.0	-48.38	403.46	7.04	-41.34
O=C(CC1CSC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144943	0	42	-1.0	-52.90	347.44	6.78	-46.12
O=C(CC1CSC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144943	1	42	-1.0	-52.92	347.50	6.80	-46.12
O=C(C1=NC2=CC=NC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144944	0	37	-1.0	-45.82	305.88	3.86	-41.96
O=C(C1=NC2=CC=NC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144944	1	37	-1.0	-45.81	305.83	3.84	-41.97
C[C@]1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C[C@@H]1C1=CC=CC=C1	REAL300020144945	0	43	-1.0	-47.94	336.74	6.93	-41.01
C[C@]1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C[C@@H]1C1=CC=CC=C1	REAL300020144945	1	43	-1.0	-47.89	336.79	6.95	-40.94
CC1=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020144946	0	38	-1.0	-46.05	320.04	3.98	-42.07
CC1=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020144946	1	38	-1.0	-46.03	320.10	4.01	-42.02
O=C(C1=CC=CC(CC2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144947	0	46	-1.0	-48.61	373.33	8.90	-39.71
O=C(C1=CC=CC(CC2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144947	1	46	-1.0	-48.61	373.39	8.92	-39.69
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144948	0	52	0.0	-68.95	390.45	8.20	-60.75
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144948	1	52	0.0	-68.97	390.50	8.23	-60.74
CC(C)OC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020144949	0	45	-1.0	-45.66	365.23	6.69	-38.97
CC(C)OC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020144949	1	45	-1.0	-45.63	365.29	6.72	-38.91
CC1=CC=CC=C1N1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020144950	0	42	-1.0	-44.46	346.63	5.67	-38.79
CC1=CC=CC=C1N1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020144950	1	42	-1.0	-44.49	346.57	5.64	-38.85
CCOC1=CC=C(CC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144951	0	49	-1.0	-38.21	382.81	6.80	-31.41
CCOC1=CC=C(CC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144951	1	49	-1.0	-38.17	382.87	6.83	-31.34
O=C(C1CCC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144952	0	41	-1.0	-51.07	322.47	6.20	-44.87
O=C(C1CCC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144952	1	41	-1.0	-51.12	322.52	6.22	-44.90
O=C([C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144953	0	42	-1.0	-49.67	350.32	7.44	-42.23
O=C([C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144953	1	42	-1.0	-49.70	350.37	7.47	-42.23
CC1(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020144954	0	47	-1.0	-48.46	358.52	6.19	-42.27
CC1(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020144954	1	47	-1.0	-48.43	358.57	6.22	-42.21
CCCN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020144955	0	43	-1.0	-47.73	337.40	3.93	-43.80
CCCN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020144955	1	43	-1.0	-47.74	337.45	3.96	-43.78
CC(OC1=CC=CC=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144956	0	39	-1.0	-49.33	316.92	3.46	-45.87
CC(OC1=CC=CC=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144956	1	39	-1.0	-49.37	316.87	3.43	-45.94
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=C1CCCC2	REAL300020144957	0	43	-1.0	-49.79	333.05	5.15	-44.64
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=C1CCCC2	REAL300020144957	1	43	-1.0	-49.78	333.11	5.18	-44.60
CCC(CC)OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020144958	0	49	-1.0	-46.21	373.80	6.61	-39.60
CCC(CC)OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020144958	1	49	-1.0	-46.19	373.86	6.63	-39.56
O=C(CC1=CC=CC=C1OC1CCOC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144959	0	48	-1.0	-52.29	378.82	5.14	-47.15
O=C(CC1=CC=CC=C1OC1CCOC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144959	1	48	-1.0	-52.27	378.87	5.16	-47.11
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144960	0	44	-1.0	-49.43	370.48	6.30	-43.13
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144960	1	44	-1.0	-49.41	370.54	6.33	-43.08
O=C(CC1=CC=CC=C1S(=O)(=O)C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144961	0	42	-1.0	-54.24	354.78	3.19	-51.05
O=C(CC1=CC=CC=C1S(=O)(=O)C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144961	1	42	-1.0	-54.21	354.84	3.22	-50.99
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144962	0	41	-1.0	-51.97	342.93	7.14	-44.83
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144962	1	41	-1.0	-52.02	342.99	7.16	-44.86
CS(=O)(=O)C1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144963	0	38	-1.0	-45.41	311.74	1.74	-43.67
CS(=O)(=O)C1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144963	1	38	-1.0	-45.40	311.68	1.71	-43.69
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144964	0	42	-1.0	-54.43	328.64	4.79	-49.64
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144964	1	42	-1.0	-54.38	328.69	4.81	-49.57
O=C(C1=CSC(C2CCCCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144965	0	45	-1.0	-44.68	359.12	6.19	-38.49
O=C(C1=CSC(C2CCCCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144965	1	45	-1.0	-44.67	359.18	6.22	-38.45
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144966	0	40	-1.0	-46.41	338.81	7.29	-39.12
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144966	1	40	-1.0	-46.43	338.87	7.32	-39.11
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144967	0	44	-1.0	-50.75	350.46	6.11	-44.64
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144967	1	44	-1.0	-50.70	350.52	6.13	-44.57
CCC1=CC=CC=C1N1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020144968	0	45	-1.0	-44.57	358.94	6.22	-38.35
CCC1=CC=CC=C1N1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020144968	1	45	-1.0	-44.56	358.89	6.20	-38.36
CC1=CC(Cl)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144969	0	35	-1.0	-42.10	302.01	3.64	-38.46
CC1=CC(Cl)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144969	1	35	-1.0	-42.13	302.06	3.66	-38.47
O=C(C(O)C1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144970	0	39	-1.0	-45.44	325.42	3.80	-41.64
O=C(C(O)C1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144970	1	39	-1.0	-45.42	325.48	3.83	-41.59
O=C(C1=CN(C2=CC=CN=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144971	0	38	-1.0	-46.10	319.09	2.94	-43.16
O=C(C1=CN(C2=CC=CN=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144971	1	38	-1.0	-46.07	319.03	2.91	-43.16
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CCC2)=N1	REAL300020144972	0	43	-1.0	-49.35	341.32	4.84	-44.51
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CCC2)=N1	REAL300020144972	1	43	-1.0	-49.38	341.38	4.86	-44.52
O=C(CC1=CC=CC(C2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144973	0	43	-1.0	-47.82	343.92	7.55	-40.27
O=C(CC1=CC=CC(C2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144973	1	43	-1.0	-47.87	343.98	7.57	-40.30
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)S1	REAL300020144974	0	32	-1.0	-39.38	301.47	4.27	-35.11
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)S1	REAL300020144974	1	32	-1.0	-39.36	301.53	4.30	-35.06
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300020144975	0	36	-1.0	-41.02	330.40	6.22	-34.80
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300020144975	1	36	-1.0	-41.03	330.46	6.24	-34.79
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1CC1=CC=CC=C1	REAL300020144976	0	48	-1.0	-47.55	383.06	6.25	-41.30
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1CC1=CC=CC=C1	REAL300020144976	1	48	-1.0	-47.54	383.12	6.27	-41.27
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144977	0	52	-1.0	-49.83	404.17	4.02	-45.81
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144977	1	52	-1.0	-49.87	404.23	4.05	-45.82
O=C(C1=COC(C2=C(F)C=CC=C2F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144978	0	39	-1.0	-47.64	335.46	4.52	-43.12
O=C(C1=COC(C2=C(F)C=CC=C2F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144978	1	39	-1.0	-47.62	335.40	4.50	-43.12
O=C(C1=CC(=O)C2=CC=C(Cl)C=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144979	0	38	-1.0	-38.01	335.72	5.52	-32.49
O=C(C1=CC(=O)C2=CC=C(Cl)C=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144979	1	38	-1.0	-38.04	335.77	5.54	-32.50
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCC1	REAL300020144980	0	53	-1.0	-43.43	392.83	4.65	-38.78
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCC1	REAL300020144980	1	53	-1.0	-43.44	392.88	4.68	-38.76
CC(C)=CCOC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144981	0	50	-1.0	-49.77	398.22	7.69	-42.08
CC(C)=CCOC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144981	1	50	-1.0	-49.75	398.28	7.71	-42.04
O=C(C1=NN(C2=CC=CC=C2F)C2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144982	0	50	-1.0	-51.92	396.05	8.58	-43.34
O=C(C1=NN(C2=CC=CC=C2F)C2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144982	1	50	-1.0	-51.95	396.11	8.61	-43.34
COCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020144983	0	39	-1.0	-45.72	323.11	1.25	-44.47
COCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020144983	1	39	-1.0	-45.74	323.05	1.23	-44.51
O=C(C1=CC=C(S(=O)(=O)C2CCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144984	0	46	-1.0	-51.06	378.39	4.31	-46.75
O=C(C1=CC=C(S(=O)(=O)C2CCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144984	1	46	-1.0	-51.00	378.45	4.34	-46.66
O=C(C1=C(C(F)(F)F)N=C2C=CC=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144985	0	39	-1.0	-49.11	340.38	5.81	-43.30
O=C(C1=C(C(F)(F)F)N=C2C=CC=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144985	1	39	-1.0	-49.10	340.33	5.79	-43.31
O=C(C1=CC=CC=C1S(=O)(=O)C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144986	0	39	-1.0	-52.29	330.18	4.14	-48.15
O=C(C1=CC=CC=C1S(=O)(=O)C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144986	1	39	-1.0	-52.29	330.23	4.17	-48.12
O=C([C@@H]1COCC[C@@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144987	0	47	-1.0	-50.61	348.72	6.94	-43.67
O=C([C@@H]1COCC[C@@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144987	1	47	-1.0	-50.59	348.78	6.97	-43.62
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCCC1	REAL300020144988	0	39	-1.0	-43.49	299.03	4.45	-39.04
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCCC1	REAL300020144988	1	39	-1.0	-43.48	299.08	4.47	-39.01
COC1=CC=C2ON=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020144989	0	42	-1.0	-54.57	347.56	4.05	-50.52
COC1=CC=C2ON=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020144989	1	42	-1.0	-54.63	347.62	4.08	-50.55
O=C(CC1=NOC2=CC=C(F)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144990	0	38	-1.0	-52.58	324.55	4.83	-47.75
O=C(CC1=NOC2=CC=C(F)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144990	1	38	-1.0	-52.55	324.61	4.86	-47.69
COC1CCCCN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020144991	0	47	-1.0	-56.48	359.02	4.52	-51.96
COC1CCCCN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020144991	1	47	-1.0	-56.47	359.08	4.54	-51.93
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CSC=N1	REAL300020144992	0	49	-1.0	-47.14	399.06	2.06	-45.08
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CSC=N1	REAL300020144992	1	49	-1.0	-47.13	399.11	2.09	-45.04
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)NC(=O)OC(C)(C)C	REAL300020144993	0	58	-1.0	-47.48	421.32	5.36	-42.12
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)NC(=O)OC(C)(C)C	REAL300020144993	1	58	-1.0	-47.53	421.37	5.38	-42.15
CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020144994	0	50	-1.0	-57.17	382.43	4.14	-53.03
CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020144994	1	50	-1.0	-57.18	382.49	4.16	-53.02
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020144995	0	53	-1.0	-53.06	409.20	4.41	-48.65
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020144995	1	53	-1.0	-53.10	409.26	4.43	-48.67
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144996	0	50	-1.0	-47.07	395.58	8.49	-38.58
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144996	1	50	-1.0	-47.04	395.64	8.52	-38.52
O=C(C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144997	0	47	-1.0	-55.59	380.86	8.10	-47.49
O=C(C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144997	1	47	-1.0	-55.58	380.92	8.12	-47.46
CC1=CC=C(F)C(N2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C3=C2CCC3)=C1	REAL300020144998	0	50	-1.0	-51.38	405.18	8.88	-42.50
CC1=CC=C(F)C(N2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C3=C2CCC3)=C1	REAL300020144998	1	50	-1.0	-51.34	405.24	8.90	-42.44
CC1=CC=CC(F)=C1N1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=C1CCC2	REAL300020144999	0	50	-1.0	-49.96	396.89	8.83	-41.13
CC1=CC=CC(F)=C1N1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=C1CCC2	REAL300020144999	1	50	-1.0	-49.93	396.95	8.86	-41.07
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145000	0	47	-1.0	-51.81	381.76	8.05	-43.76
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145000	1	47	-1.0	-51.78	381.81	8.08	-43.70
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020145001	0	36	-1.0	-47.98	321.85	0.97	-47.01
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020145001	1	36	-1.0	-47.94	321.91	0.99	-46.95
CN1N=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020145002	0	42	-1.0	-53.37	344.66	5.32	-48.05
CN1N=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020145002	1	42	-1.0	-53.38	344.71	5.34	-48.04
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145003	0	41	-1.0	-44.54	335.44	6.32	-38.22
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145003	1	41	-1.0	-44.54	335.49	6.34	-38.20
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020145004	0	44	-1.0	-41.04	340.96	5.83	-35.21
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020145004	1	44	-1.0	-41.04	340.90	5.80	-35.24
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1N1C=CC=N1	REAL300020145005	0	43	-1.0	-49.28	343.69	6.56	-42.72
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1N1C=CC=N1	REAL300020145005	1	43	-1.0	-49.29	343.63	6.54	-42.75
O=C(C1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145006	0	46	-1.0	-47.85	376.58	5.96	-41.89
O=C(C1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145006	1	46	-1.0	-47.85	376.64	5.99	-41.86
O=C(C1=CNN=C1C1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145007	0	44	-1.0	-48.52	345.97	2.30	-46.22
O=C(C1=CNN=C1C1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145007	1	44	-1.0	-48.50	346.03	2.33	-46.17
CC1CCC(C)(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020145008	0	52	-1.0	-36.73	373.36	7.33	-29.40
CC1CCC(C)(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020145008	1	52	-1.0	-36.74	373.41	7.35	-29.39
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(SC2CCCC2)=N1	REAL300020145009	0	49	-1.0	-49.04	405.94	7.42	-41.62
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(SC2CCCC2)=N1	REAL300020145009	1	49	-1.0	-49.03	406.00	7.44	-41.59
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020145010	0	36	-2.0	-103.39	314.88	3.76	-99.63
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020145010	1	36	-2.0	-103.38	314.94	3.79	-99.59
O=C(C1=CC=CC(C(F)(F)F)=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145010	1	37	-1.0	-47.88	319.52	3.02	-44.86
O=C(C1=CC=CC(C(F)(F)F)=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145010	1	37	-1.0	-47.87	319.57	3.04	-44.83
O=C(C1=C(C(F)(F)F)N=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145011	0	33	-1.0	-51.43	286.70	3.38	-48.05
O=C(C1=C(C(F)(F)F)N=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145011	1	33	-1.0	-51.41	286.76	3.41	-48.00
O=C(C1=C(C(F)(F)F)NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145011	1	33	-1.0	-50.53	285.59	3.87	-46.66
O=C(C1=C(C(F)(F)F)NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145011	1	33	-1.0	-50.54	285.65	3.89	-46.65
CC(=O)NC(=CC1=CC=CS1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145012	0	41	-1.0	-55.65	349.63	5.52	-50.13
CC(=O)NC(=CC1=CC=CS1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145012	1	41	-1.0	-55.61	349.69	5.54	-50.07
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145013	0	38	-2.0	-94.11	325.66	2.04	-92.07
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145013	1	38	-2.0	-94.13	325.72	2.07	-92.06
CN1C=CN=C1[C@@H]1[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC(=O)N1C1CC1	REAL300020145014	0	54	-1.0	-45.46	415.81	5.51	-39.95
CN1C=CN=C1[C@@H]1[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC(=O)N1C1CC1	REAL300020145014	1	54	-1.0	-45.48	415.86	5.54	-39.94
COC(=O)C1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145015	0	38	-1.0	-41.63	319.96	4.16	-37.47
COC(=O)C1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145015	1	38	-1.0	-41.62	319.90	4.13	-37.49
CNC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145016	0	38	-1.0	-39.39	321.43	3.76	-35.63
CNC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145016	1	38	-1.0	-39.38	321.49	3.78	-35.60
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=C(F)C=CC=C2F)CCC1	REAL300020145017	0	43	-1.0	-48.90	329.88	6.87	-42.03
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=C(F)C=CC=C2F)CCC1	REAL300020145017	1	43	-1.0	-48.93	329.94	6.90	-42.03
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(OC2=CC=CC=C2)CC1	REAL300020145018	0	41	-1.0	-44.65	330.29	5.59	-39.06
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(OC2=CC=CC=C2)CC1	REAL300020145018	1	41	-1.0	-44.64	330.34	5.62	-39.02
C[C@@](O)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020145019	0	40	-1.0	-44.51	312.70	2.98	-41.53
C[C@@](O)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020145019	1	40	-1.0	-44.54	312.75	3.01	-41.53
CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CCOCC2)=N1	REAL300020145020	0	50	-1.0	-49.04	389.31	4.44	-44.60
CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CCOCC2)=N1	REAL300020145020	1	50	-1.0	-48.99	389.37	4.47	-44.52
CCOC(=O)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020145021	0	45	-1.0	-40.39	365.91	7.70	-32.69
CCOC(=O)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020145021	1	45	-1.0	-40.35	365.97	7.72	-32.63
O=C(C1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145022	0	53	-1.0	-47.41	412.38	8.32	-39.09
O=C(C1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145022	1	53	-1.0	-47.40	412.32	8.29	-39.11
O=C(C1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145023	0	39	-1.0	-53.24	343.81	2.35	-50.89
O=C(C1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145023	1	39	-1.0	-53.22	343.87	2.37	-50.85
CC1=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C	REAL300020145024	0	36	-1.0	-42.97	307.72	3.84	-39.13
CC1=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C	REAL300020145024	1	36	-1.0	-42.98	307.77	3.86	-39.12
CCN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1=O	REAL300020145025	0	43	-1.0	-47.41	333.70	3.85	-43.56
CCN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1=O	REAL300020145025	1	43	-1.0	-47.40	333.76	3.88	-43.52
O=C(CC1=NSC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145026	0	38	-1.0	-52.17	325.46	5.43	-46.74
O=C(CC1=NSC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145026	1	38	-1.0	-52.20	325.51	5.46	-46.74
COC1=C(Br)C=CC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145027	0	40	-1.0	-46.07	345.79	5.22	-40.85
COC1=C(Br)C=CC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145027	1	40	-1.0	-46.08	345.85	5.24	-40.84
O=C(CC1=NOC2=CC=C(Br)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145028	0	38	-1.0	-52.11	339.42	5.38	-46.73
O=C(CC1=NOC2=CC=C(Br)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145028	1	38	-1.0	-52.07	339.48	5.40	-46.67
CC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020145029	0	43	-1.0	-46.53	357.79	7.44	-39.09
CC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020145029	1	43	-1.0	-46.54	357.85	7.47	-39.07
O=C(C1=CC=CC=C1C1=CNN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145030	0	40	-1.0	-52.81	328.02	4.38	-48.43
O=C(C1=CC=CC=C1C1=CNN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145030	1	40	-1.0	-52.81	328.08	4.41	-48.40
O=C(CCSC1=C2N=CNC2=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145031	0	41	-1.0	-54.82	353.11	5.67	-49.15
O=C(CCSC1=C2N=CNC2=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145031	1	41	-1.0	-54.84	353.17	5.69	-49.15
CCOCN1N=C(C)C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020145032	0	49	-1.0	-52.85	391.29	3.74	-49.11
CCOCN1N=C(C)C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020145032	1	49	-1.0	-52.82	391.35	3.76	-49.06
CC(=CC1CCC(C)CC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145033	0	49	-1.0	-45.59	360.34	7.12	-38.47
CC(=CC1CCC(C)CC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145033	1	49	-1.0	-45.63	360.40	7.15	-38.48
CCOCN1N=C(C)C(CC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020145034	0	55	-1.0	-49.28	421.58	4.61	-44.67
CCOCN1N=C(C)C(CC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020145034	1	55	-1.0	-49.32	421.64	4.64	-44.68
COC1=CC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2C=C1	REAL300020145035	0	40	-1.0	-47.07	322.82	4.00	-43.07
COC1=CC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2C=C1	REAL300020145035	1	40	-1.0	-47.08	322.77	3.98	-43.10
COC1=CC=CC(S(=O)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145036	0	42	-1.0	-54.64	354.71	2.88	-51.76
COC1=CC=CC(S(=O)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145036	1	42	-1.0	-54.68	354.76	2.90	-51.78
O=C(C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145037	0	46	-1.0	-41.07	374.46	7.09	-33.98
O=C(C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145037	1	46	-1.0	-41.08	374.52	7.11	-33.97
CC1=C(Br)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020145038	0	33	-1.0	-35.80	300.43	4.74	-31.06
CC1=C(Br)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020145038	1	33	-1.0	-35.84	300.49	4.77	-31.07
CC1=C2OC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=CC=C1	REAL300020145039	0	39	-1.0	-41.31	320.68	5.62	-35.69
CC1=C2OC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=CC=C1	REAL300020145039	1	39	-1.0	-41.31	320.74	5.65	-35.66
CCC(CC1=CC=CC=C1C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145040	0	48	-1.0	-45.02	361.14	7.84	-37.18
CCC(CC1=CC=CC=C1C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145040	1	48	-1.0	-45.02	361.20	7.87	-37.15
CC1=CC(F)=CC(N2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C3=C2CCC3)=C1	REAL300020145041	0	50	-1.0	-47.20	403.46	8.76	-38.44
CC1=CC(F)=CC(N2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C3=C2CCC3)=C1	REAL300020145041	1	50	-1.0	-47.17	403.52	8.78	-38.39
O=C(CC1=CC=C(N2C=NN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145042	0	42	-1.0	-53.59	345.65	8.43	-45.16
O=C(CC1=CC=C(N2C=NN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145042	1	42	-1.0	-53.59	345.59	8.41	-45.18
O=C(CCC1=CC=CC(OC(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145043	0	43	-1.0	-48.20	355.32	5.83	-42.37
O=C(CCC1=CC=CC(OC(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145043	1	43	-1.0	-48.20	355.38	5.85	-42.35
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(Br)O1	REAL300020145044	0	33	-1.0	-42.16	293.77	4.08	-38.08
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(Br)O1	REAL300020145044	1	33	-1.0	-42.17	293.83	4.10	-38.07
C=CCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020145045	0	39	-1.0	-46.00	323.75	3.51	-42.49
C=CCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020145045	1	39	-1.0	-45.98	323.69	3.48	-42.50
O=C(C1=NC2=CN=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145046	0	37	-1.0	-45.55	305.89	3.88	-41.67
O=C(C1=NC2=CN=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145046	1	37	-1.0	-45.54	305.83	3.85	-41.69
CC(=O)NC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145047	0	43	-1.0	-58.23	350.77	4.33	-53.90
CC(=O)NC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145047	1	43	-1.0	-58.22	350.83	4.35	-53.87
C=C(Cl)CSC1=NC(C)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020145048	0	43	-1.0	-48.72	393.82	6.40	-42.32
C=C(Cl)CSC1=NC(C)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020145048	1	43	-1.0	-48.74	393.88	6.43	-42.31
COC(=O)N1CC2CCC1C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020145049	0	48	-1.0	-51.37	357.61	4.33	-47.04
COC(=O)N1CC2CCC1C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020145049	1	48	-1.0	-51.33	357.67	4.35	-46.98
COC(=O)N1CC2C=CC1C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020145050	0	46	-1.0	-52.79	352.39	4.21	-48.58
COC(=O)N1CC2C=CC1C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020145050	1	46	-1.0	-52.79	352.44	4.23	-48.56
C=CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020145051	0	44	-1.0	-46.98	321.45	3.54	-43.44
C=CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020145051	1	44	-1.0	-47.01	321.51	3.56	-43.45
O=C([C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145052	0	46	-1.0	-43.84	343.33	6.32	-37.52
O=C([C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145052	1	46	-1.0	-43.90	343.39	6.34	-37.56
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145053	0	53	-1.0	-48.82	413.43	3.98	-44.84
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145053	1	53	-1.0	-48.84	413.49	4.01	-44.83
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145054	0	47	-1.0	-52.03	369.73	3.87	-48.16
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145054	1	47	-1.0	-52.01	369.79	3.89	-48.12
CC(C)(C)N1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020145055	0	44	-1.0	-45.90	339.27	3.18	-42.72
CC(C)(C)N1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020145055	1	44	-1.0	-45.97	339.22	3.16	-42.81
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145056	0	49	-1.0	-47.64	392.26	7.51	-40.13
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145056	1	49	-1.0	-47.60	392.31	7.54	-40.06
CC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2)C=C1	REAL300020145057	0	46	-1.0	-47.47	350.79	7.26	-40.21
CC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2)C=C1	REAL300020145057	1	46	-1.0	-47.49	350.85	7.29	-40.20
O=C(C1=CC=CC2=CC=CC(O)=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145058	0	40	-1.0	-50.54	322.51	5.35	-45.19
O=C(C1=CC=CC2=CC=CC(O)=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145058	1	40	-1.0	-50.51	322.56	5.37	-45.14
O=C(CC1=NN=C(C2=CC=CC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145059	0	41	-1.0	-55.74	346.21	1.41	-54.33
O=C(CC1=NN=C(C2=CC=CC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145059	1	41	-1.0	-55.77	346.26	1.44	-54.33
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020145060	0	45	0.0	-82.41	351.93	4.98	-77.43
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020145060	1	45	0.0	-82.44	351.87	4.96	-77.48
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145061	0	45	0.0	-57.67	347.00	4.39	-53.28
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145061	1	45	0.0	-57.72	346.94	4.36	-53.36
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300020145062	0	36	-1.0	-47.82	323.98	5.98	-41.84
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300020145062	1	36	-1.0	-47.81	324.04	6.01	-41.80
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(=O)C2=CC=CC=C21	REAL300020145063	0	42	-1.0	-48.63	341.38	5.46	-43.17
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(=O)C2=CC=CC=C21	REAL300020145063	1	42	-1.0	-48.60	341.44	5.49	-43.11
O=C(C1=CC=C(SC(F)(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145064	0	34	-1.0	-41.89	311.85	4.40	-37.49
O=C(C1=CC=C(SC(F)(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145064	1	34	-1.0	-41.89	311.90	4.42	-37.47
O=C(C1=CC=CC(O)=C1OC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145065	0	38	-1.0	-50.23	324.26	2.59	-47.64
O=C(C1=CC=CC(O)=C1OC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145065	1	38	-1.0	-50.23	324.32	2.61	-47.62
CC(C)(C)OC(=O)CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020145066	0	51	-1.0	-55.75	380.40	7.16	-48.59
CC(C)(C)OC(=O)CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020145066	1	51	-1.0	-55.73	380.46	7.18	-48.55
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=C(Br)C=N1	REAL300020145067	0	39	-1.0	-44.62	333.37	4.52	-40.10
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=C(Br)C=N1	REAL300020145067	1	39	-1.0	-44.62	333.32	4.49	-40.13
CN1N=C2C=C(Br)C=CC2=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145068	0	39	-1.0	-42.23	343.88	5.12	-37.11
CN1N=C2C=C(Br)C=CC2=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145068	1	39	-1.0	-42.22	343.83	5.09	-37.13
O=C(C1=CSC2=CC(Cl)=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145069	0	35	-1.0	-52.18	319.74	4.55	-47.63
O=C(C1=CSC2=CC(Cl)=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145069	1	35	-1.0	-52.16	319.69	4.52	-47.64
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020145070	0	56	-1.0	-45.89	414.50	6.65	-39.24
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020145070	1	56	-1.0	-45.87	414.56	6.68	-39.19
O=C(C1=CNC2=C(F)C(F)=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145071	0	39	-1.0	-54.88	336.97	4.57	-50.31
O=C(C1=CNC2=C(F)C(F)=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145071	1	39	-1.0	-54.87	337.03	4.60	-50.27
O=C(C1=CN(C2=CC=C(F)C=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145072	0	40	-1.0	-45.70	334.87	5.65	-40.05
O=C(C1=CN(C2=CC=C(F)C=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145072	1	40	-1.0	-45.64	334.82	5.62	-40.02
CCOC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020145073	0	45	-1.0	-42.32	343.35	5.35	-36.97
CCOC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020145073	1	45	-1.0	-42.34	343.41	5.38	-36.96
O=C(C1=CN2CCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145074	0	41	-1.0	-48.46	318.53	5.72	-42.74
O=C(C1=CN2CCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145074	1	41	-1.0	-48.46	318.59	5.75	-42.71
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145075	0	38	-1.0	-51.36	323.85	6.10	-45.26
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145075	1	38	-1.0	-51.36	323.91	6.13	-45.23
CC1=C([N+](=O)[O-])C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020145076	0	40	-1.0	-42.01	334.69	6.01	-36.00
CC1=C([N+](=O)[O-])C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020145076	1	40	-1.0	-42.09	334.75	6.04	-36.05
O=C(CNS(=O)(=O)C1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145077	0	40	-1.0	-53.66	343.84	-0.65	-54.31
O=C(CNS(=O)(=O)C1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145077	1	40	-1.0	-53.68	343.78	-0.67	-54.35
CCNC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020145078	0	37	-1.0	-45.20	313.52	3.18	-42.02
CCNC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020145078	1	37	-1.0	-45.24	313.46	3.15	-42.09
NC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020145079	0	36	-1.0	-42.36	302.94	2.25	-40.11
NC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020145079	1	36	-1.0	-42.30	302.89	2.23	-40.07
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(NC2=CC=CC=C2)CC1	REAL300020145080	0	42	-1.0	-47.25	335.00	5.17	-42.08
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(NC2=CC=CC=C2)CC1	REAL300020145080	1	42	-1.0	-47.26	335.06	5.20	-42.06
O=C(CC1=CC=CC(CC(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145081	0	42	-1.0	-47.42	355.67	7.23	-40.19
O=C(CC1=CC=CC(CC(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145081	1	42	-1.0	-47.41	355.73	7.25	-40.16
CN1N=C(C2CC2)N=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145082	0	42	-1.0	-55.50	343.24	4.88	-50.62
CN1N=C(C2CC2)N=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145082	1	42	-1.0	-55.53	343.30	4.91	-50.62
O=C(C1CCC2=NC=NC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145083	0	41	-1.0	-46.56	323.90	5.00	-41.56
O=C(C1CCC2=NC=NC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145083	1	41	-1.0	-46.56	323.96	5.03	-41.53
CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1(F)Cl	REAL300020145084	0	36	-1.0	-50.76	305.71	5.00	-45.76
CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1(F)Cl	REAL300020145084	1	36	-1.0	-50.76	305.77	5.03	-45.73
COC1=CC=C2C(=C1)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C(C)N2C	REAL300020145085	0	47	-1.0	-53.91	377.57	6.12	-47.79
COC1=CC=C2C(=C1)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C(C)N2C	REAL300020145085	1	47	-1.0	-53.91	377.63	6.15	-47.76
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020145086	0	47	-1.0	-39.76	374.71	6.19	-33.57
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020145086	1	47	-1.0	-39.76	374.65	6.17	-33.59
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C2=C1CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145087	0	47	-1.0	-46.83	388.50	8.16	-38.67
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C2=C1CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145087	1	47	-1.0	-46.85	388.56	8.18	-38.67
O=C(C1=CC2=CC=CC(Cl)=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145088	0	36	-1.0	-44.53	322.87	6.27	-38.26
O=C(C1=CC2=CC=CC(Cl)=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145088	1	36	-1.0	-44.52	322.92	6.29	-38.23
O=C(C1CCC2=CC(Br)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145089	0	40	-1.0	-47.83	338.00	7.01	-40.82
O=C(C1CCC2=CC(Br)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145089	1	40	-1.0	-47.81	338.05	7.03	-40.78
O=C(CC1=C2C=CC=CN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145090	0	39	-1.0	-53.79	322.47	5.26	-48.53
O=C(CC1=C2C=CC=CN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145090	1	39	-1.0	-53.73	322.41	5.24	-48.49
CC1CCN2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020145091	0	43	-1.0	-46.22	335.37	4.42	-41.80
CC1CCN2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020145091	1	43	-1.0	-46.22	335.42	4.45	-41.77
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020145092	0	35	-2.0	-97.80	321.24	5.00	-92.80
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020145092	1	35	-2.0	-97.76	321.30	5.03	-92.73
COC1=C(Br)C=CC(F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145093	0	37	-1.0	-46.40	332.84	4.73	-41.67
COC1=C(Br)C=CC(F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145093	1	37	-1.0	-46.44	332.90	4.76	-41.68
O=C(CC1=CC=C2OCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145094	0	44	-1.0	-49.86	348.41	6.08	-43.78
O=C(CC1=CC=C2OCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145094	1	44	-1.0	-49.86	348.46	6.11	-43.75
CSC1=CC=C(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145095	0	46	-1.0	-49.79	377.78	8.05	-41.74
CSC1=CC=C(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145095	1	46	-1.0	-49.76	377.84	8.07	-41.69
O=C(CN1N=NN=C1C1=CSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145096	0	38	-1.0	-53.50	328.61	3.27	-50.23
O=C(CN1N=NN=C1C1=CSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145096	1	38	-1.0	-53.50	328.66	3.30	-50.20
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C(F)C(F)=C1	REAL300020145097	0	42	-1.0	-44.09	352.02	5.27	-38.82
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C(F)C(F)=C1	REAL300020145097	1	42	-1.0	-44.08	352.08	5.30	-38.78
O=C(C1=COC2=CC=C(F)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145098	0	36	-1.0	-39.86	305.68	5.02	-34.84
O=C(C1=COC2=CC=C(F)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145098	1	36	-1.0	-39.88	305.74	5.05	-34.83
CC(C)CN1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145099	0	42	-1.0	-43.35	321.36	4.35	-39.00
CC(C)CN1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145099	1	42	-1.0	-43.36	321.30	4.32	-39.04
CC1=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(Cl)C=C2C=C1	REAL300020145100	0	41	-1.0	-53.12	346.98	6.15	-46.97
CC1=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(Cl)C=C2C=C1	REAL300020145100	1	41	-1.0	-53.13	347.04	6.18	-46.95
CCOC(=O)C1CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020145101	0	51	-1.0	-50.05	391.02	7.29	-42.76
CCOC(=O)C1CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020145101	1	51	-1.0	-50.10	391.08	7.31	-42.79
O=C(C1CCCCC1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145102	0	46	-1.0	-46.95	340.51	6.97	-39.98
O=C(C1CCCCC1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145102	1	46	-1.0	-46.95	340.57	7.00	-39.95
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2F)CCC1	REAL300020145103	0	43	-1.0	-52.54	334.57	6.58	-45.96
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2F)CCC1	REAL300020145103	1	43	-1.0	-52.55	334.62	6.61	-45.94
CC(C)(C)OC(=O)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145104	0	47	-1.0	-54.07	366.56	6.07	-48.00
CC(C)(C)OC(=O)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145104	1	47	-1.0	-54.06	366.62	6.10	-47.96
O=C(CN1C=CC2=CC=C(F)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145105	0	40	-1.0	-51.71	334.27	6.94	-44.77
O=C(CN1C=CC2=CC=C(F)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145105	1	40	-1.0	-51.72	334.33	6.96	-44.76
O=C(C1=NN2CCOCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145106	0	38	-1.0	-47.86	305.47	2.05	-45.81
O=C(C1=NN2CCOCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145106	1	38	-1.0	-47.82	305.53	2.07	-45.75
CC(C)=CCCC(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145107	0	48	-1.0	-45.75	364.40	7.23	-38.52
CC(C)=CCCC(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145107	1	48	-1.0	-45.77	364.45	7.25	-38.52
CC1(C)CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020145108	0	44	-1.0	-39.82	347.30	5.69	-34.13
CC1(C)CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020145108	1	44	-1.0	-39.81	347.36	5.71	-34.10
CC(C)(C)OC(=O)COCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145109	0	45	-1.0	-58.12	358.68	5.28	-52.84
CC(C)(C)OC(=O)COCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145109	1	45	-1.0	-58.07	358.74	5.31	-52.76
O=C(C1=CC(Cl)=CC=C1N1C=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145110	0	39	-1.0	-53.85	336.28	7.92	-45.93
O=C(C1=CC(Cl)=CC=C1N1C=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145110	1	39	-1.0	-53.84	336.22	7.89	-45.95
CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)N=N1	REAL300020145111	0	44	-1.0	-53.70	357.05	5.72	-47.98
CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)N=N1	REAL300020145111	1	44	-1.0	-53.70	357.10	5.75	-47.95
O=C(C1=CC=CC2=CC=NC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145112	0	38	-1.0	-51.88	309.73	4.89	-46.99
O=C(C1=CC=CC2=CC=NC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145112	1	38	-1.0	-51.87	309.67	4.87	-47.00
O=C(C1=CC2=C(Br)C=NC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145113	0	35	-1.0	-36.49	321.90	4.61	-31.88
O=C(C1=CC2=C(Br)C=NC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145113	1	35	-1.0	-36.50	321.84	4.58	-31.92
CCCC1=CC=C(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145114	0	51	-1.0	-48.32	401.95	9.25	-39.07
CCCC1=CC=C(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145114	1	51	-1.0	-48.34	402.01	9.27	-39.07
O=C(C1=CC=C(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145115	0	42	-1.0	-47.68	341.56	6.31	-41.37
O=C(C1=CC=C(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145115	1	42	-1.0	-47.72	341.51	6.29	-41.43
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1N1CCOCC1	REAL300020145116	0	49	-1.0	-45.10	378.01	4.65	-40.45
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1N1CCOCC1	REAL300020145116	1	49	-1.0	-45.10	378.07	4.67	-40.43
O=C(C1=CN(C2CCC2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145117	0	39	-1.0	-45.96	313.35	3.32	-42.64
O=C(C1=CN(C2CCC2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145117	1	39	-1.0	-45.97	313.29	3.29	-42.68
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145118	0	50	-1.0	-47.58	386.94	3.47	-44.11
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145118	1	50	-1.0	-47.58	387.00	3.50	-44.08
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC2=CC=CC=C21	REAL300020145119	0	43	-1.0	-48.34	325.64	6.41	-41.93
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC2=CC=CC=C21	REAL300020145119	1	43	-1.0	-48.32	325.69	6.43	-41.89
O=C(C1CC1)N1CCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145120	0	44	-1.0	-59.81	343.52	5.87	-53.94
O=C(C1CC1)N1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145120	1	44	-1.0	-59.79	343.58	5.90	-53.89
COC(=O)C12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)C2	REAL300020145121	0	40	-1.0	-48.02	323.27	4.77	-43.25
COC(=O)C12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)C2	REAL300020145121	1	40	-1.0	-48.01	323.32	4.80	-43.21
O=C(C1=CC=CC2=CC(O)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145122	0	40	-1.0	-49.83	325.56	3.83	-46.00
O=C(C1=CC=CC2=CC(O)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145122	1	40	-1.0	-49.85	325.62	3.86	-45.99
O=C(C1=C(O)C2=NC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145123	0	39	-1.0	-54.57	321.56	2.50	-52.07
O=C(C1=C(O)C2=NC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145123	1	39	-1.0	-54.63	321.62	2.52	-52.11
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145123	1	38	-2.0	-116.27	318.12	3.29	-112.98
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145123	1	38	-2.0	-116.24	318.18	3.32	-112.92
O=C(C1=CC=C(C2=CNC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145124	0	40	-1.0	-53.19	328.67	5.65	-47.54
O=C(C1=CC=C(C2=CNC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145124	1	40	-1.0	-53.20	328.73	5.68	-47.52
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020145125	0	38	-1.0	-55.35	330.01	6.30	-49.05
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020145125	1	38	-1.0	-55.34	330.07	6.33	-49.01
O=C(C1COC2=CC=C(O)C=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145126	0	40	-1.0	-49.79	324.33	1.78	-48.01
O=C(C1COC2=CC=C(O)C=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145126	1	40	-1.0	-49.81	324.39	1.81	-48.00
CC(C)(C)OC(=O)C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145127	0	47	-1.0	-53.06	350.33	6.02	-47.04
CC(C)(C)OC(=O)C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145127	1	47	-1.0	-53.05	350.39	6.04	-47.01
O=C(C1=C(Cl)SC(Br)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145128	0	29	-1.0	-38.47	290.18	3.54	-34.93
O=C(C1=C(Cl)SC(Br)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145128	1	29	-1.0	-38.50	290.12	3.52	-34.98
O=C(CC1=CC=C(Br)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145129	0	38	-1.0	-52.18	339.10	6.58	-45.60
O=C(CC1=CC=C(Br)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145129	1	38	-1.0	-52.17	339.16	6.61	-45.56
CC(C)C(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145130	0	50	-1.0	-48.78	376.33	6.30	-42.48
CC(C)C(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145130	1	50	-1.0	-48.72	376.39	6.32	-42.40
COC(=O)C1=C(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)OC=N1	REAL300020145131	0	42	-1.0	-57.67	357.75	1.17	-56.50
COC(=O)C1=C(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)OC=N1	REAL300020145131	1	42	-1.0	-57.67	357.69	1.15	-56.52
C[N@@H+]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300020145132	0	49	0.0	-68.17	345.67	6.49	-61.68
C[N@H+]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300020145132	1	49	0.0	-72.75	363.63	7.22	-65.53
C[N@@H+]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300020145132	1	49	0.0	-68.16	345.72	6.52	-61.64
C[N@H+]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300020145132	1	49	0.0	-72.74	363.68	7.25	-65.49
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145133	0	45	0.0	-66.25	344.48	3.61	-62.64
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145133	1	45	0.0	-66.24	344.43	3.59	-62.65
CC(C)(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC=N1	REAL300020145134	0	42	-1.0	-44.98	322.67	4.50	-40.48
CC(C)(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC=N1	REAL300020145134	1	42	-1.0	-44.97	322.72	4.53	-40.44
CC1=C(C2=CC=CO2)N=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020145135	0	42	-1.0	-52.86	361.32	5.04	-47.82
CC1=C(C2=CC=CO2)N=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020145135	1	42	-1.0	-52.85	361.27	5.02	-47.83
O=C(CN1CC2=CC=CC=C2OC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145136	0	42	-1.0	-56.19	344.31	5.51	-50.68
O=C(CN1CC2=CC=CC=C2OC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145136	1	42	-1.0	-56.28	344.36	5.54	-50.74
CC1=C(C2=CC=CC=C2)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145137	0	43	-1.0	-40.45	358.37	7.70	-32.75
CC1=C(C2=CC=CC=C2)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145137	1	43	-1.0	-40.45	358.42	7.73	-32.72
CC1=NN(C(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145138	0	42	-1.0	-47.69	334.29	4.19	-43.50
CC1=NN(C(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145138	1	42	-1.0	-47.65	334.35	4.21	-43.44
O=C(CCC1=C(Cl)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145139	0	39	-1.0	-46.57	344.20	7.10	-39.47
O=C(CCC1=C(Cl)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145139	1	39	-1.0	-46.53	344.26	7.12	-39.41
O=C(C1=CC=C(C(F)F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145140	0	35	-1.0	-44.08	299.29	3.52	-40.56
O=C(C1=CC=C(C(F)F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145140	1	35	-1.0	-44.10	299.34	3.54	-40.56
O=C(C1=C2OCCOC2=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145141	0	36	-1.0	-41.57	305.09	1.98	-39.59
O=C(C1=C2OCCOC2=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145141	1	36	-1.0	-41.58	305.14	2.01	-39.57
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145142	0	46	-1.0	-39.72	380.00	8.49	-31.23
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145142	1	46	-1.0	-39.71	380.06	8.52	-31.19
O=C(CCCC1=C(F)C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145143	0	42	-1.0	-49.36	348.22	7.09	-42.27
O=C(CCCC1=C(F)C=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145143	1	42	-1.0	-49.37	348.28	7.12	-42.25
O=C(C1=CN=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145144	0	35	-1.0	-39.39	299.21	3.56	-35.83
O=C(C1=CN=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145144	1	35	-1.0	-39.38	299.15	3.53	-35.85
CC1=CC=CC=C1N1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C(F)F	REAL300020145145	0	46	-1.0	-47.66	376.37	7.05	-40.61
CC1=CC=CC=C1N1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C(F)F	REAL300020145145	1	46	-1.0	-47.66	376.43	7.07	-40.59
CC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCOCC2)C=C1C	REAL300020145146	0	53	-1.0	-46.39	384.90	6.38	-40.01
CC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCOCC2)C=C1C	REAL300020145146	1	53	-1.0	-46.42	384.95	6.40	-40.02
O=C(NC1=C(F)C=CC=C1F)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020145147	0	44	-1.0	-45.37	368.16	4.94	-40.43
O=C(NC1=C(F)C=CC=C1F)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020145147	1	44	-1.0	-45.34	368.22	4.97	-40.37
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300020145148	0	46	-1.0	-47.25	368.12	7.59	-39.66
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300020145148	1	46	-1.0	-47.20	368.18	7.61	-39.59
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(OC(F)(F)F)=C2)CCC1	REAL300020145149	0	47	-1.0	-50.02	375.40	6.37	-43.65
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(OC(F)(F)F)=C2)CCC1	REAL300020145149	1	47	-1.0	-50.03	375.46	6.40	-43.63
O=C(C1CCCCC1N1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145150	0	46	-1.0	-46.99	339.67	6.16	-40.83
O=C(C1CCCCC1N1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145150	1	46	-1.0	-46.98	339.62	6.13	-40.85
CC(C)C1CCC(C)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145151	0	51	-1.0	-44.82	344.44	7.40	-37.42
CC(C)C1CCC(C)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145151	1	51	-1.0	-44.85	344.50	7.42	-37.43
CC(C)(C)OC(=O)N1CCCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145152	0	56	-1.0	-58.41	417.35	6.36	-52.05
CC(C)(C)OC(=O)N1CCCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145152	1	56	-1.0	-58.40	417.41	6.39	-52.01
CC(C)(C)OC(=O)N(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020145153	0	53	-1.0	-47.69	404.73	6.10	-41.59
CC(C)(C)OC(=O)N(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020145153	1	53	-1.0	-47.64	404.79	6.13	-41.51
CC(C)(C)OC(=O)NCC1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145154	0	56	-1.0	-58.66	415.68	4.73	-53.93
CC(C)(C)OC(=O)NCC1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145154	1	56	-1.0	-58.68	415.73	4.75	-53.93
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300020145155	0	49	-1.0	-47.22	370.13	4.45	-42.77
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300020145155	1	49	-1.0	-47.17	370.18	4.47	-42.70
CC(CC1=CC=C(C#N)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145156	0	43	-1.0	-38.36	352.29	6.97	-31.39
CC(CC1=CC=C(C#N)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145156	1	43	-1.0	-38.42	352.34	7.00	-31.42
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(=O)C2=CC=CC=C21	REAL300020145157	0	41	-1.0	-51.66	339.71	6.45	-45.21
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(=O)C2=CC=CC=C21	REAL300020145157	1	41	-1.0	-51.61	339.76	6.47	-45.14
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145158	0	57	-1.0	-55.36	426.08	6.92	-48.44
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145158	1	57	-1.0	-55.34	426.14	6.95	-48.39
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145159	0	56	-1.0	-61.93	434.16	5.70	-56.23
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145159	1	56	-1.0	-61.92	434.22	5.73	-56.19
CC(C)(C)OC(=O)CCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145160	0	50	-1.0	-47.58	388.03	6.84	-40.74
CC(C)(C)OC(=O)CCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145160	1	50	-1.0	-47.60	388.09	6.86	-40.74
C[C@H](NC(=O)C1=CC=CO1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145161	0	40	-1.0	-46.18	331.35	1.85	-44.33
C[C@H](NC(=O)C1=CC=CO1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145161	1	40	-1.0	-46.20	331.41	1.88	-44.32
O=C(C1=NN(CCF)C(=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145162	0	38	-1.0	-42.76	319.02	3.09	-39.67
O=C(C1=NN(CCF)C(=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145162	1	38	-1.0	-42.74	319.08	3.11	-39.63
O=C(C1=CC(Cl)=NC(C2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145163	0	39	-1.0	-37.98	331.34	5.11	-32.87
O=C(C1=CC(Cl)=NC(C2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145163	1	39	-1.0	-37.99	331.40	5.14	-32.85
CC(C)(C)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145164	0	45	-1.0	-46.43	346.72	6.76	-39.67
CC(C)(C)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145164	1	45	-1.0	-46.42	346.78	6.79	-39.63
O=C(C1=CC=C2OCCOC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145165	0	38	-1.0	-45.61	309.31	1.80	-43.81
O=C(C1=CC=C2OCCOC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145165	1	38	-1.0	-45.64	309.25	1.77	-43.87
O=C(CCCC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145166	0	42	-1.0	-49.47	343.98	7.09	-42.38
O=C(CCCC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145166	1	42	-1.0	-49.44	344.03	7.12	-42.32
CS(=O)(=O)N1CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020145167	0	47	-1.0	-52.29	368.91	2.18	-50.11
CS(=O)(=O)N1CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020145167	1	47	-1.0	-52.32	368.97	2.20	-50.12
CC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1C	REAL300020145168	0	39	-1.0	-57.93	323.89	3.68	-54.25
CC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1C	REAL300020145168	1	39	-1.0	-57.95	323.95	3.71	-54.24
O=C(CC1OCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145169	0	41	-1.0	-49.67	329.12	5.57	-44.10
O=C(CC1OCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145169	1	41	-1.0	-49.64	329.17	5.60	-44.04
COC1=CC=C2CCCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020145170	0	47	-1.0	-52.17	360.37	6.20	-45.97
COC1=CC=C2CCCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020145170	1	47	-1.0	-52.22	360.42	6.23	-45.99
COC1=CN2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020145171	0	40	-1.0	-47.88	326.51	3.42	-44.46
COC1=CN2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020145171	1	40	-1.0	-47.93	326.45	3.40	-44.53
O=C(CCC1CCCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145172	0	48	-1.0	-45.96	347.93	6.82	-39.14
O=C(CCC1CCCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145172	1	48	-1.0	-45.95	347.98	6.84	-39.11
CC1(C)CC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020145173	0	44	-1.0	-43.09	348.48	5.71	-37.38
CC1(C)CC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020145173	1	44	-1.0	-43.07	348.54	5.73	-37.34
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145174	0	40	-1.0	-49.29	343.05	5.03	-44.26
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145174	1	40	-1.0	-49.28	343.11	5.05	-44.23
NC1=NC(C2CC2)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145175	0	40	-1.0	-42.47	324.99	3.00	-39.47
NC1=NC(C2CC2)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145175	1	40	-1.0	-42.47	325.04	3.02	-39.45
O=C(C1=CNC=C2N=C(C(F)(F)F)N=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145176	0	38	-1.0	-70.73	337.05	2.82	-67.91
O=C(C1=CNC=C2N=C(C(F)(F)F)N=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145176	1	38	-1.0	-70.73	337.11	2.85	-67.88
CN1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020145177	0	45	-1.0	-47.68	343.43	5.01	-42.67
CN1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020145177	1	45	-1.0	-47.66	343.49	5.03	-42.63
CN(C)C1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020145178	0	40	-1.0	-42.36	337.80	3.65	-38.71
CN(C)C1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020145178	1	40	-1.0	-42.35	337.74	3.62	-38.73
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145179	0	46	-1.0	-43.09	367.01	6.70	-36.39
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145179	1	46	-1.0	-43.01	367.07	6.73	-36.28
O=C(CC1=CC=CN=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145180	0	35	-1.0	-51.29	303.67	4.04	-47.25
O=C(CC1=CC=CN=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145180	1	35	-1.0	-51.28	303.61	4.01	-47.27
O=C(C1=C2NC(=O)COC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145181	0	39	-1.0	-52.49	318.46	1.88	-50.61
O=C(C1=C2NC(=O)COC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145181	1	39	-1.0	-52.47	318.52	1.91	-50.56
CC(=NO)C1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020145182	0	46	-1.0	-44.95	346.70	3.46	-41.49
CC(=NO)C1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020145182	1	46	-1.0	-44.92	346.76	3.49	-41.43
O=C(COC1=NSN=C1N1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145183	0	45	-1.0	-45.02	371.49	0.38	-44.64
O=C(COC1=NSN=C1N1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145183	1	45	-1.0	-44.98	371.44	0.35	-44.63
O=C(C1=C(C2=CC=CC=C2)SCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145184	0	43	-1.0	-47.18	349.79	5.98	-41.20
O=C(C1=C(C2=CC=CC=C2)SCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145184	1	43	-1.0	-47.20	349.85	6.00	-41.20
CC1=CN=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CN12	REAL300020145185	0	39	-1.0	-44.72	323.38	5.72	-39.00
CC1=CN=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CN12	REAL300020145185	1	39	-1.0	-44.72	323.44	5.74	-38.98
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(N2CCOCC2)CC1	REAL300020145186	0	43	-1.0	-47.12	320.85	0.61	-46.51
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(N2CCOCC2)CC1	REAL300020145186	1	43	-1.0	-47.12	320.90	0.63	-46.49
O=C(C1=C(C(F)(F)F)N=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145187	0	32	-1.0	-38.02	280.35	0.54	-37.48
O=C(C1=C(C(F)(F)F)N=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145187	1	32	-1.0	-38.04	280.29	0.51	-37.53
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020145188	0	55	-1.0	-50.28	429.08	7.06	-43.22
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020145188	1	55	-1.0	-50.25	429.14	7.08	-43.17
CC1CC2=C(NN=C2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145189	0	43	-1.0	-49.66	332.96	3.83	-45.83
CC1CC2=C(NN=C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145189	1	43	-1.0	-49.71	333.01	3.86	-45.85
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCO1	REAL300020145190	0	49	-1.0	-38.63	367.23	5.14	-33.49
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCO1	REAL300020145190	1	49	-1.0	-38.58	367.27	5.16	-33.42
O=C(CC(N1C=CN=C1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145191	0	39	-1.0	-48.70	328.96	5.74	-42.96
O=C(CC(N1C=CN=C1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145191	1	39	-1.0	-48.71	329.02	5.76	-42.95
O=C(C1=CC(N2C=CN=C2)=CC=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145192	0	41	-1.0	-50.81	336.97	4.25	-46.56
O=C(C1=CC(N2C=CN=C2)=CC=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145192	1	41	-1.0	-50.81	337.03	4.27	-46.54
O=C(C1=CSC(Br)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145193	0	29	-1.0	-41.21	276.25	2.90	-38.31
O=C(C1=CSC(Br)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145193	1	29	-1.0	-41.21	276.19	2.87	-38.34
CC(C)CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CN=C1	REAL300020145194	0	45	-1.0	-45.59	349.28	6.96	-38.63
CC(C)CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CN=C1	REAL300020145194	1	45	-1.0	-45.56	349.34	6.99	-38.57
CN1CCCC1C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1	REAL300020145195	0	45	-1.0	-40.84	353.62	1.85	-38.99
CN1CCCC1C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1	REAL300020145195	1	45	-1.0	-40.79	353.67	1.88	-38.91
CN1C(=O)CSC1=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145196	0	36	-1.0	-48.01	302.17	3.19	-44.82
CN1C(=O)CSC1=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145196	1	36	-1.0	-48.03	302.23	3.21	-44.82
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C2=CC=CC=C2)=NO1	REAL300020145197	0	44	-1.0	-46.59	351.84	5.59	-41.00
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C2=CC=CC=C2)=NO1	REAL300020145197	1	44	-1.0	-46.57	351.90	5.61	-40.96
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC1=C(F)C=CC=C1F	REAL300020145198	0	43	-1.0	-49.27	366.62	4.73	-44.54
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC1=C(F)C=CC=C1F	REAL300020145198	1	43	-1.0	-49.24	366.68	4.76	-44.48
CN(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020145199	0	44	-1.0	-45.41	354.64	4.84	-40.57
CN(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020145199	1	44	-1.0	-45.43	354.70	4.87	-40.56
C[NH+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020145199	1	45	0.0	-63.49	355.16	6.89	-56.60
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020145200	0	48	-1.0	-43.14	364.66	6.02	-37.12
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020145200	1	48	-1.0	-43.15	364.72	6.05	-37.10
CC1=CC=CC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N21	REAL300020145201	0	39	-1.0	-48.01	305.74	5.24	-42.77
CC1=CC=CC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N21	REAL300020145201	1	39	-1.0	-48.03	305.68	5.21	-42.82
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(=O)C2=CC=CC=C21	REAL300020145202	0	42	-1.0	-46.71	341.89	4.04	-42.67
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(=O)C2=CC=CC=C21	REAL300020145202	1	42	-1.0	-46.69	341.95	4.06	-42.63
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C21	REAL300020145203	0	48	-1.0	-52.07	361.41	6.02	-46.05
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C21	REAL300020145203	1	48	-1.0	-52.02	361.46	6.04	-45.98
CCN1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020145204	0	43	-1.0	-47.68	350.40	4.26	-43.42
CCN1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020145204	1	43	-1.0	-47.63	350.46	4.29	-43.34
CSC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145205	0	37	-1.0	-38.25	329.93	6.01	-32.24
CSC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145205	1	37	-1.0	-38.24	329.99	6.03	-32.21
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(NC2CC2)=N1	REAL300020145206	0	44	-1.0	-38.22	350.91	4.55	-33.67
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(NC2CC2)=N1	REAL300020145206	1	44	-1.0	-38.21	350.97	4.58	-33.63
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Br	REAL300020145207	0	40	-1.0	-46.26	335.93	5.19	-41.07
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Br	REAL300020145207	1	40	-1.0	-46.24	335.99	5.21	-41.03
CC1=CC=C(C2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)C=C1C	REAL300020145208	0	45	-1.0	-39.76	373.04	6.55	-33.21
CC1=CC=C(C2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)C=C1C	REAL300020145208	1	45	-1.0	-39.72	372.99	6.53	-33.19
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145209	0	42	-1.0	-47.30	355.67	5.35	-41.95
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145209	1	42	-1.0	-47.33	355.73	5.37	-41.96
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145210	0	42	-1.0	-44.12	348.61	5.28	-38.84
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145210	1	42	-1.0	-44.10	348.67	5.30	-38.80
O=C(C1CCC2(CC2(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145211	0	43	-1.0	-37.49	328.89	6.03	-31.46
O=C(C1CCC2(CC2(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145211	1	43	-1.0	-37.49	328.95	6.06	-31.43
O=C(C1=CC=C(C(F)F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145212	0	36	-1.0	-48.69	310.32	5.41	-43.28
O=C(C1=CC=C(C(F)F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145212	1	36	-1.0	-48.70	310.38	5.44	-43.26
O=C(CC1OCC2=CC(Cl)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145213	0	41	-1.0	-48.44	345.80	6.09	-42.35
O=C(CC1OCC2=CC(Cl)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145213	1	41	-1.0	-48.44	345.86	6.12	-42.32
O=C(C1=CC=C(OCC(F)(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145214	0	37	-1.0	-43.48	325.82	4.47	-39.01
O=C(C1=CC=C(OCC(F)(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145214	1	37	-1.0	-43.51	325.87	4.50	-39.01
NC1=C(Cl)C(F)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020145215	0	35	-1.0	-42.30	319.36	3.53	-38.77
NC1=C(Cl)C(F)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020145215	1	35	-1.0	-42.29	319.42	3.56	-38.73
CC(C)(C)OC(=O)N1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1C1CC1	REAL300020145216	0	57	-1.0	-53.99	424.79	7.56	-46.43
CC(C)(C)OC(=O)N1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1C1CC1	REAL300020145216	1	57	-1.0	-54.04	424.84	7.59	-46.45
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145217	0	44	-1.0	-53.52	368.26	1.22	-52.30
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145217	1	44	-1.0	-53.55	368.32	1.24	-52.31
O=C(NC1=CN=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020145218	0	39	-1.0	-43.85	338.08	2.20	-41.65
O=C(NC1=CN=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020145218	1	39	-1.0	-43.87	338.02	2.17	-41.70
O=C(C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145219	0	35	-1.0	-43.40	338.08	6.35	-37.05
O=C(C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145219	1	35	-1.0	-43.43	338.13	6.37	-37.06
COC1=CC=CC(O)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145220	0	38	-1.0	-53.06	314.26	1.16	-51.90
COC1=CC=CC(O)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145220	1	38	-1.0	-53.09	314.31	1.19	-51.90
O=C(C1=CSC(N2CCCCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145221	0	44	-1.0	-44.59	351.84	4.74	-39.85
O=C(C1=CSC(N2CCCCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145221	1	44	-1.0	-44.60	351.79	4.71	-39.89
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145222	0	40	-1.0	-44.15	336.67	3.17	-40.98
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145222	1	40	-1.0	-44.18	336.73	3.19	-40.99
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145223	0	53	-1.0	-54.23	386.31	7.20	-47.03
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145223	1	53	-1.0	-54.28	386.37	7.23	-47.05
O=C(C1=CC2=CN=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145224	0	38	-1.0	-46.42	311.11	4.91	-41.51
O=C(C1=CC2=CN=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145224	1	38	-1.0	-46.45	311.05	4.89	-41.56
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020145225	0	51	-1.0	-49.75	393.27	5.49	-44.26
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020145225	1	51	-1.0	-49.75	393.33	5.51	-44.24
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145226	0	47	-1.0	-54.80	380.41	1.99	-52.81
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145226	1	47	-1.0	-54.74	380.47	2.01	-52.73
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020145227	0	43	-1.0	-55.61	367.18	-1.27	-56.88
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020145227	1	43	-1.0	-55.56	367.24	-1.24	-56.80
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145228	0	36	-1.0	-39.47	301.73	0.51	-38.96
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145228	1	36	-1.0	-39.44	301.79	0.53	-38.91
CN1CCC(CC2=CC=CC=C2)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020145229	0	50	-1.0	-57.47	371.17	6.02	-51.45
CN1CCC(CC2=CC=CC=C2)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020145229	1	50	-1.0	-57.43	371.23	6.04	-51.39
CN1C(=O)[C@H](O)[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CC=C1	REAL300020145230	0	48	-1.0	-51.39	372.75	4.01	-47.38
CN1C(=O)[C@H](O)[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CC=C1	REAL300020145230	1	48	-1.0	-51.34	372.81	4.04	-47.30
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020145231	0	52	0.0	-76.81	408.35	5.55	-71.26
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020145231	1	52	0.0	-76.82	408.40	5.58	-71.24
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145232	0	41	-1.0	-46.74	339.05	4.80	-41.94
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145232	1	41	-1.0	-46.81	339.11	4.83	-41.98
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CCC1	REAL300020145233	0	52	-1.0	-42.55	379.84	6.73	-35.82
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CCC1	REAL300020145233	1	52	-1.0	-42.56	379.89	6.75	-35.81
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300020145234	0	44	-1.0	-49.71	364.84	6.07	-43.64
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300020145234	1	44	-1.0	-49.70	364.90	6.09	-43.61
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2F)=N1	REAL300020145235	0	42	-1.0	-42.10	358.84	6.23	-35.87
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC=C2F)=N1	REAL300020145235	1	42	-1.0	-42.10	358.78	6.21	-35.89
O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145236	0	38	-1.0	-45.61	320.45	7.13	-38.48
O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145236	1	38	-1.0	-45.62	320.39	7.10	-38.52
O=C(C1=C2N=CSC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145237	0	35	-1.0	-43.39	302.19	3.88	-39.51
O=C(C1=C2N=CSC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145237	1	35	-1.0	-43.41	302.13	3.86	-39.55
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL300020145238	0	36	-1.0	-53.89	313.61	0.05	-53.84
CS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL300020145238	1	36	-1.0	-53.85	313.66	0.08	-53.77
O=C([C@@H]1CSC[C@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145239	0	44	-1.0	-48.35	348.47	7.26	-41.09
O=C([C@@H]1CSC[C@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145239	1	44	-1.0	-48.37	348.53	7.28	-41.09
O=C(C1=COC2=CC=C(Cl)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145240	0	36	-1.0	-39.32	316.00	5.46	-33.86
O=C(C1=COC2=CC=C(Cl)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145240	1	36	-1.0	-39.30	316.06	5.49	-33.81
O=C(C1=CN(C2=CC=CC=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145241	0	40	-1.0	-44.35	326.99	7.62	-36.73
O=C(C1=CN(C2=CC=CC=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145241	1	40	-1.0	-44.39	326.94	7.59	-36.80
O=C(C1=CC=CC=C1NCC1=CC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145242	0	45	-1.0	-48.57	364.84	5.40	-43.17
O=C(C1=CC=CC=C1NCC1=CC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145242	1	45	-1.0	-48.61	364.89	5.43	-43.18
O=C(C1=CC=CC=C1NCCC1=CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145243	0	55	-1.0	-44.94	422.51	8.27	-36.67
O=C(C1=CC=CC=C1NCCC1=CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145243	1	55	-1.0	-44.98	422.57	8.30	-36.68
CNC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145244	0	38	-1.0	-42.73	319.33	3.93	-38.80
CNC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145244	1	38	-1.0	-42.75	319.39	3.96	-38.79
O=C(C1=CC=NC(NC2CCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145245	0	44	-1.0	-45.44	347.58	4.53	-40.91
O=C(C1=CC=NC(NC2CCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145245	1	44	-1.0	-45.49	347.52	4.50	-40.99
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145246	0	47	-1.0	-45.61	375.42	5.34	-40.27
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145246	1	47	-1.0	-45.59	375.36	5.31	-40.28
O=C(N[C@H]1C[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1)OCC1=CC=CC=C1	REAL300020145247	0	51	-1.0	-48.71	413.25	5.40	-43.31
O=C(N[C@H]1C[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1)OCC1=CC=CC=C1	REAL300020145247	1	51	-1.0	-48.71	413.31	5.42	-43.29
O=C(C1CCS(=O)(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145248	0	35	-1.0	-61.65	289.97	-2.11	-63.76
O=C(C1CCS(=O)(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145248	1	35	-1.0	-61.67	290.02	-2.08	-63.75
CC(C)(O)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020145249	0	49	-1.0	-48.77	348.40	3.26	-45.51
CC(C)(O)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020145249	1	49	-1.0	-48.73	348.46	3.28	-45.45
O=C(C=CC1CCCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145250	0	46	-1.0	-45.69	342.59	6.75	-38.94
O=C(C=CC1CCCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145250	1	46	-1.0	-45.66	342.65	6.77	-38.89
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020145251	0	38	-1.0	-50.80	324.36	5.98	-44.82
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020145251	1	38	-1.0	-50.84	324.42	6.00	-44.84
CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145252	0	52	-1.0	-46.42	388.07	4.03	-42.39
CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145252	1	52	-1.0	-46.44	388.13	4.06	-42.38
O=C(C1CCC2=CC=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145253	0	43	-1.0	-45.33	334.10	7.02	-38.31
O=C(C1CCC2=CC=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145253	1	43	-1.0	-45.34	334.16	7.04	-38.30
CC(COCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020145254	0	46	-1.0	-49.49	367.49	7.17	-42.32
CC(COCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020145254	1	46	-1.0	-49.55	367.55	7.19	-42.36
O=C(COCCC1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145255	0	43	-1.0	-50.05	357.09	6.71	-43.34
O=C(COCCC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145255	1	43	-1.0	-50.06	357.15	6.74	-43.32
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145256	0	56	-1.0	-46.27	424.23	4.89	-41.38
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145256	1	56	-1.0	-46.29	424.29	4.91	-41.38
O=C(C1CCOC2=CC=C(Br)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145257	0	41	-1.0	-49.37	343.52	5.67	-43.70
O=C(C1CCOC2=CC=C(Br)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145257	1	41	-1.0	-49.37	343.58	5.69	-43.68
CNC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020145258	0	42	-1.0	-47.43	352.98	2.41	-45.02
CNC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020145258	1	42	-1.0	-47.46	353.04	2.43	-45.03
O=C(CN1N=C2CCCCN2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145259	0	43	-1.0	-58.14	345.21	4.77	-53.37
O=C(CN1N=C2CCCCN2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145259	1	43	-1.0	-58.15	345.27	4.79	-53.36
O=C(C1=CC(F)=CC2=CC=NC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145260	0	38	-1.0	-47.02	316.08	4.96	-42.06
O=C(C1=CC(F)=CC2=CC=NC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145260	1	38	-1.0	-47.01	316.02	4.93	-42.08
O=C(C1=CC2=C(S1)C(=O)NC=C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145261	0	36	-1.0	-49.98	312.64	2.80	-47.18
O=C(C1=CC2=C(S1)C(=O)NC=C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145261	1	36	-1.0	-49.97	312.70	2.82	-47.15
O=C(C1=CN=C(C2=CC=CC=C2Cl)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145262	0	41	-1.0	-45.83	351.77	6.65	-39.18
O=C(C1=CN=C(C2=CC=CC=C2Cl)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145262	1	41	-1.0	-45.80	351.71	6.63	-39.17
CC1=NN=NN1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145263	0	41	-1.0	-48.27	337.34	4.44	-43.83
CC1=NN=NN1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145263	1	41	-1.0	-48.28	337.40	4.47	-43.81
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145264	0	48	-1.0	-49.00	399.01	8.06	-40.94
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145264	1	48	-1.0	-49.00	399.07	8.08	-40.92
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145265	0	49	-1.0	-51.31	390.07	6.67	-44.64
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145265	1	49	-1.0	-51.34	390.13	6.69	-44.65
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145266	0	54	-1.0	-53.23	419.93	8.51	-44.72
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145266	1	54	-1.0	-53.21	419.99	8.53	-44.68
O=C(CCCC1=CC=C2CCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145267	0	52	-1.0	-48.82	400.29	9.53	-39.29
O=C(CCCC1=CC=C2CCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145267	1	52	-1.0	-48.86	400.35	9.56	-39.30
O=C(C1=CC=CC2=C1OCCCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145268	0	42	-1.0	-52.11	333.99	4.69	-47.42
O=C(C1=CC=CC2=C1OCCCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145268	1	42	-1.0	-52.10	334.04	4.72	-47.38
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(N2C=NN=N2)CCCCC1	REAL300020145269	0	44	-1.0	-40.21	330.04	5.00	-35.21
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(N2C=NN=N2)CCCCC1	REAL300020145269	1	44	-1.0	-40.20	329.98	4.97	-35.23
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2Cl)CCC1	REAL300020145270	0	43	-1.0	-49.41	340.54	6.91	-42.50
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2Cl)CCC1	REAL300020145270	1	43	-1.0	-49.44	340.60	6.93	-42.51
CSC1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145271	0	36	-1.0	-43.84	302.29	4.29	-39.55
CSC1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145271	1	36	-1.0	-43.86	302.23	4.27	-39.59
O=C(C1=NSC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145272	0	29	-1.0	-45.39	271.17	3.14	-42.25
O=C(C1=NSC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145272	1	29	-1.0	-45.39	271.11	3.11	-42.28
O=C(C(CC1CCCO1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145273	0	43	-1.0	-48.90	341.24	4.68	-44.22
O=C(C(CC1CCCO1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145273	1	43	-1.0	-48.88	341.30	4.70	-44.18
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020145274	0	54	-1.0	-42.29	387.67	6.92	-35.37
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020145274	1	54	-1.0	-42.28	387.73	6.95	-35.33
CCC1=NC=CN1C(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145275	0	45	-1.0	-45.36	353.00	5.93	-39.43
CCC1=NC=CN1C(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145275	1	45	-1.0	-45.35	353.06	5.96	-39.39
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145275	1	46	0.0	-62.15	356.19	6.40	-55.75
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145275	1	46	0.0	-62.13	356.25	6.42	-55.71
CCCOC1=CC=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020145276	0	44	-1.0	-50.86	360.36	2.69	-48.17
CCCOC1=CC=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020145276	1	44	-1.0	-50.86	360.41	2.71	-48.15
O=C(N[C@@H](CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020145277	0	44	-1.0	-46.65	364.25	0.62	-46.03
O=C(N[C@@H](CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020145277	1	44	-1.0	-46.59	364.31	0.65	-45.94
O=C(CC1=CC=C(F)C=C1)N[C@@H](CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145278	0	47	-1.0	-48.24	389.09	1.29	-46.95
O=C(CC1=CC=C(F)C=C1)N[C@@H](CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145278	1	47	-1.0	-48.27	389.14	1.32	-46.95
O=C(N[C@@H](CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(F)=N1	REAL300020145279	0	43	-1.0	-53.34	359.38	-1.24	-54.58
O=C(N[C@@H](CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(F)=N1	REAL300020145279	1	43	-1.0	-53.36	359.32	-1.26	-54.62
O=C(C1=C2C=CC(Cl)=CN2C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145280	0	36	-1.0	-44.03	312.03	7.09	-36.94
O=C(C1=C2C=CC(Cl)=CN2C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145280	1	36	-1.0	-43.97	311.97	7.06	-36.91
O=C(CC1=CN2CCCCC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145281	0	43	-1.0	-56.88	337.67	5.74	-51.14
O=C(CC1=CN2CCCCC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145281	1	43	-1.0	-56.86	337.73	5.76	-51.10
CSC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020145282	0	36	-1.0	-44.59	305.35	4.56	-40.03
CSC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020145282	1	36	-1.0	-44.57	305.29	4.54	-40.03
CCC(CC)(COCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145283	0	55	-1.0	-45.22	409.03	7.28	-37.94
CCC(CC)(COCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145283	1	55	-1.0	-45.22	409.08	7.31	-37.91
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145284	0	58	0.0	-67.75	429.05	3.95	-63.80
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145284	1	58	0.0	-67.78	429.10	3.97	-63.81
COC1=CC=C(CN2N=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C)C=C1	REAL300020145285	0	49	-1.0	-49.75	391.08	4.83	-44.92
COC1=CC=C(CN2N=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C)C=C1	REAL300020145285	1	49	-1.0	-49.77	391.14	4.85	-44.92
O=C(CC1(CN2C=NN=N2)CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145286	0	50	-1.0	-41.31	367.24	6.36	-34.95
O=C(CC1(CN2C=NN=N2)CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145286	1	50	-1.0	-41.29	367.18	6.33	-34.96
N#CC1=CC(Br)=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145287	0	37	-1.0	-49.33	334.71	6.28	-43.05
N#CC1=CC(Br)=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145287	1	37	-1.0	-49.40	334.77	6.30	-43.10
O=C(C1=CN=C(C2=CC=CC(Cl)=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145288	0	39	-1.0	-39.00	351.43	5.87	-33.13
O=C(C1=CN=C(C2=CC=CC(Cl)=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145288	1	39	-1.0	-38.99	351.37	5.85	-33.14
O=C(C1=CN=C(C2=C(F)C=CC=C2F)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145289	0	39	-1.0	-43.87	342.88	5.62	-38.25
O=C(C1=CN=C(C2=C(F)C=CC=C2F)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145289	1	39	-1.0	-43.87	342.82	5.59	-38.28
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020145290	0	39	-1.0	-35.49	325.63	6.35	-29.14
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020145290	1	39	-1.0	-35.47	325.69	6.38	-29.09
COC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020145291	0	36	-1.0	-44.45	302.68	3.34	-41.11
COC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020145291	1	36	-1.0	-44.46	302.74	3.36	-41.10
CC(C)OC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020145292	0	43	-1.0	-44.27	359.42	5.93	-38.34
CC(C)OC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020145292	1	43	-1.0	-44.28	359.48	5.95	-38.33
O=C(CC1C2CC3CC(C2)CC1C3)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145293	0	50	-1.0	-46.68	348.48	7.22	-39.46
O=C(CC1C2CC3CC(C2)CC1C3)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145293	1	50	-1.0	-46.65	348.53	7.24	-39.41
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC3CC(C(=O)N1)C2C3	REAL300020145294	0	42	-1.0	-42.99	314.25	2.51	-40.48
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC3CC(C(=O)N1)C2C3	REAL300020145294	1	42	-1.0	-43.02	314.31	2.53	-40.49
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145295	0	47	-1.0	-52.53	370.96	2.93	-49.60
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145295	1	47	-1.0	-52.52	371.01	2.95	-49.57
NC(=O)C1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145296	0	36	-1.0	-66.02	307.60	0.27	-65.75
NC(=O)C1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145296	1	36	-1.0	-65.99	307.54	0.24	-65.75
CC1=CC=CC(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2C)=C1	REAL300020145297	0	47	-1.0	-46.55	366.16	7.68	-38.87
CC1=CC=CC(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2C)=C1	REAL300020145297	1	47	-1.0	-46.62	366.21	7.71	-38.91
O=C([C@@H]1CCO[C@H]1C1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145298	0	43	-1.0	-47.77	337.75	3.60	-44.17
O=C([C@@H]1CCO[C@H]1C1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145298	1	43	-1.0	-47.81	337.80	3.63	-44.18
O=C(C1=CC=CC(N2C=CNC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145299	0	41	-1.0	-51.33	333.76	4.59	-46.74
O=C(C1=CC=CC(N2C=CNC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145299	1	41	-1.0	-51.31	333.82	4.62	-46.69
O=C(C1=CC=C(N2C=CNC2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145300	0	41	-1.0	-56.74	333.04	4.57	-52.17
O=C(C1=CC=C(N2C=CNC2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145300	1	41	-1.0	-56.73	333.10	4.59	-52.14
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145301	0	49	-1.0	-53.65	392.69	3.26	-50.39
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145301	1	49	-1.0	-53.56	392.75	3.28	-50.28
O=C(CC1=CC=C2OC(F)(F)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145302	0	39	-1.0	-50.40	334.28	4.54	-45.86
O=C(CC1=CC=C2OC(F)(F)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145302	1	39	-1.0	-50.35	334.34	4.56	-45.79
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145303	0	51	-1.0	-39.38	386.83	6.95	-32.43
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145303	1	51	-1.0	-39.47	386.89	6.98	-32.49
CC(C)(C)N1N=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020145304	0	40	-1.0	-44.72	324.36	2.77	-41.95
CC(C)(C)N1N=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020145304	1	40	-1.0	-44.72	324.30	2.75	-41.97
O=C(CC12CCCCC1C2(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145305	0	43	-1.0	-51.80	331.77	6.26	-45.54
O=C(CC12CCCCC1C2(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145305	1	43	-1.0	-51.86	331.83	6.29	-45.57
CC1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020145306	0	39	-1.0	-43.09	326.46	6.20	-36.89
CC1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020145306	1	39	-1.0	-43.12	326.52	6.22	-36.90
O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145307	0	49	-1.0	-45.69	362.98	7.45	-38.24
O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145307	1	49	-1.0	-45.71	363.04	7.48	-38.23
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145308	0	47	-1.0	-49.79	372.58	6.88	-42.91
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145308	1	47	-1.0	-49.78	372.64	6.91	-42.87
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145309	0	50	-1.0	-49.99	405.94	8.72	-41.27
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145309	1	50	-1.0	-50.02	405.99	8.75	-41.27
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145310	0	36	-1.0	-51.42	311.72	4.74	-46.68
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145310	1	36	-1.0	-51.37	311.67	4.71	-46.66
CC(=O)NC(CCC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145311	0	48	-1.0	-55.82	365.14	4.83	-50.99
CC(=O)NC(CCC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145311	1	48	-1.0	-55.79	365.19	4.85	-50.94
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C#N	REAL300020145312	0	38	-1.0	-38.48	318.37	4.09	-34.39
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C#N	REAL300020145312	1	38	-1.0	-38.51	318.42	4.11	-34.40
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC(Br)=C1F	REAL300020145313	0	36	-1.0	-43.47	314.04	5.71	-37.76
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC(Br)=C1F	REAL300020145313	1	36	-1.0	-43.48	314.10	5.73	-37.75
CC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CN2C=C1	REAL300020145314	0	39	-1.0	-49.12	316.58	7.24	-41.88
CC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CN2C=C1	REAL300020145314	1	39	-1.0	-49.08	316.53	7.21	-41.87
O=C(C1=CC2=NC(Cl)=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145315	0	35	-1.0	-38.42	318.40	4.36	-34.06
O=C(C1=CC2=NC(Cl)=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145315	1	35	-1.0	-38.44	318.34	4.33	-34.11
O=C(C1=CC=C(F)C2=CC=NC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145316	0	38	-1.0	-47.45	315.38	4.94	-42.51
O=C(C1=CC=C(F)C2=CC=NC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145316	1	38	-1.0	-47.45	315.32	4.91	-42.54
O=C(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145317	0	36	-1.0	-44.21	334.96	5.85	-38.36
O=C(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145317	1	36	-1.0	-44.21	334.90	5.83	-38.38
O=C(CCC1=CSC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145318	0	36	-1.0	-45.30	325.47	5.74	-39.56
O=C(CCC1=CSC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145318	1	36	-1.0	-45.33	325.53	5.76	-39.57
O=C(CC(N1C=CC=N1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145319	0	39	-1.0	-49.70	327.37	4.52	-45.18
O=C(CC(N1C=CC=N1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145319	1	39	-1.0	-49.76	327.31	4.50	-45.26
N#CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020145320	0	43	-1.0	-56.68	327.47	5.42	-51.26
N#CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020145320	1	43	-1.0	-56.66	327.53	5.44	-51.22
O=C(C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145321	0	39	-1.0	-50.74	350.39	2.55	-48.19
O=C(C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145321	1	39	-1.0	-50.72	350.45	2.57	-48.15
O=C(C1=C(Cl)N=C2C=CSC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145322	0	35	-1.0	-47.21	317.18	4.32	-42.89
O=C(C1=C(Cl)N=C2C=CSC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145322	1	35	-1.0	-47.16	317.12	4.30	-42.86
O=C(C1CCC(=O)N(C2=CC=CC(F)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145323	0	47	-1.0	-50.35	378.54	6.39	-43.96
O=C(C1CCC(=O)N(C2=CC=CC(F)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145323	1	47	-1.0	-50.32	378.59	6.41	-43.91
O=C(C1=CN=NN1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145324	0	39	-1.0	-44.45	317.54	4.17	-40.28
O=C(C1=CN=NN1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145324	1	39	-1.0	-44.42	317.48	4.14	-40.28
CC(C)C1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCCC2)C=C1	REAL300020145325	0	58	-1.0	-46.75	414.68	9.44	-37.31
CC(C)C1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCCC2)C=C1	REAL300020145325	1	58	-1.0	-46.72	414.74	9.46	-37.26
CC(C)(CC(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145326	0	38	-1.0	-51.11	293.49	4.31	-46.80
CC(C)(CC(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145326	1	38	-1.0	-51.09	293.54	4.34	-46.75
O=C(C1COCC1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145327	0	44	-1.0	-47.12	332.88	4.71	-42.41
O=C(C1COCC1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145327	1	44	-1.0	-47.17	332.94	4.74	-42.43
CN1N=CC(C2CC2)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145328	0	40	-1.0	-43.73	327.57	4.45	-39.28
CN1N=CC(C2CC2)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145328	1	40	-1.0	-43.76	327.51	4.42	-39.34
CC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)(F)F	REAL300020145329	0	44	-1.0	-46.04	369.42	6.48	-39.56
CC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)(F)F	REAL300020145329	1	44	-1.0	-46.04	369.47	6.50	-39.54
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020145330	0	52	-1.0	-48.50	403.64	8.35	-40.15
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020145330	1	52	-1.0	-48.55	403.70	8.38	-40.17
COC1=NOC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145331	0	39	-1.0	-46.67	324.00	1.82	-44.85
COC1=NOC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145331	1	39	-1.0	-46.69	324.05	1.85	-44.84
O=C(C1=C(Cl)C=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145332	0	33	-1.0	-47.30	310.13	5.57	-41.73
O=C(C1=C(Cl)C=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145332	1	33	-1.0	-47.30	310.18	5.59	-41.71
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CC1	REAL300020145333	0	49	-1.0	-42.56	365.16	6.26	-36.30
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CC1	REAL300020145333	1	49	-1.0	-42.54	365.22	6.28	-36.26
CC(C)(C)OC(=O)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020145334	0	53	-1.0	-51.89	387.61	7.26	-44.63
CC(C)(C)OC(=O)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020145334	1	53	-1.0	-51.87	387.67	7.29	-44.58
CC(C)(C)OC(=O)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020145335	0	48	-1.0	-39.40	368.31	7.29	-32.11
CC(C)(C)OC(=O)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020145335	1	48	-1.0	-39.41	368.37	7.31	-32.10
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2CCC1C2	REAL300020145336	0	55	-1.0	-43.83	397.07	7.34	-36.49
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2CCC1C2	REAL300020145336	1	55	-1.0	-43.85	397.13	7.37	-36.48
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020145337	0	54	-1.0	-39.58	395.42	7.27	-32.31
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020145337	1	54	-1.0	-39.58	395.47	7.30	-32.28
C=C(C)CC(NC(C)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145338	0	43	-1.0	-55.12	337.64	4.05	-51.07
C=C(C)CC(NC(C)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145338	1	43	-1.0	-55.15	337.70	4.07	-51.08
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1(Br)Br	REAL300020145339	0	33	-1.0	-41.95	299.21	4.62	-37.33
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1(Br)Br	REAL300020145339	1	33	-1.0	-41.97	299.27	4.64	-37.33
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC(F)(F)CC1	REAL300020145340	0	43	-1.0	-44.20	326.71	4.07	-40.13
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC(F)(F)CC1	REAL300020145340	1	43	-1.0	-44.18	326.77	4.10	-40.08
CN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020145341	0	44	-1.0	-44.21	350.40	7.30	-36.91
CN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020145341	1	44	-1.0	-44.22	350.46	7.32	-36.90
CCCCCC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145342	0	45	-1.0	-42.95	356.63	4.95	-38.00
CCCCCC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145342	1	45	-1.0	-42.98	356.69	4.98	-38.00
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145343	0	43	-1.0	-50.02	338.68	2.84	-47.18
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145343	1	43	-1.0	-50.04	338.74	2.86	-47.18
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1CCOCC1	REAL300020145344	0	51	-1.0	-47.68	378.34	5.70	-41.98
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1CCOCC1	REAL300020145344	1	51	-1.0	-47.69	378.40	5.73	-41.96
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145345	0	39	-1.0	-40.66	332.36	5.71	-34.95
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145345	1	39	-1.0	-40.64	332.31	5.69	-34.95
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(NCC(F)(F)F)=N1	REAL300020145346	0	43	-1.0	-44.64	362.87	4.21	-40.43
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(NCC(F)(F)F)=N1	REAL300020145346	1	43	-1.0	-44.66	362.93	4.23	-40.43
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020145347	0	37	-1.0	-37.52	314.55	4.78	-32.74
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020145347	1	37	-1.0	-37.56	314.61	4.81	-32.75
CC1(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C)(C)C1	REAL300020145348	0	51	-1.0	-45.31	366.74	6.79	-38.52
CC1(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C)(C)C1	REAL300020145348	1	51	-1.0	-45.28	366.80	6.81	-38.47
O=C(CN1C=C(C2CC2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145349	0	40	-1.0	-54.63	326.28	4.99	-49.64
O=C(CN1C=C(C2CC2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145349	1	40	-1.0	-54.64	326.22	4.97	-49.67
O=C(C1=CC=CC2=C1COCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145350	0	41	-1.0	-40.15	322.56	4.53	-35.62
O=C(C1=CC=CC2=C1COCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145350	1	41	-1.0	-40.14	322.62	4.55	-35.59
CC(C)(C)N1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020145351	0	42	-1.0	-45.10	346.82	4.46	-40.64
CC(C)(C)N1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020145351	1	42	-1.0	-45.09	346.76	4.43	-40.66
CC1=CC(F)=CC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145352	0	39	-1.0	-43.37	319.66	5.75	-37.62
CC1=CC(F)=CC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145352	1	39	-1.0	-43.34	319.72	5.77	-37.57
CN1N=CC(C2CCC2)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145353	0	43	-1.0	-43.83	344.25	4.95	-38.88
CN1N=CC(C2CCC2)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145353	1	43	-1.0	-43.84	344.19	4.93	-38.91
C[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300020145354	0	49	-1.0	-41.00	371.11	4.54	-36.46
C[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300020145354	1	49	-1.0	-41.03	371.17	4.56	-36.47
COC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL300020145355	0	39	-1.0	-43.83	328.73	4.12	-39.71
COC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL300020145355	1	39	-1.0	-43.83	328.79	4.15	-39.68
O=C(C(CO)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145356	0	40	-1.0	-39.17	319.90	2.50	-36.67
O=C(C(CO)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145356	1	40	-1.0	-39.22	319.96	2.53	-36.69
O=C(C1CC[N@@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145357	0	46	0.0	-66.31	341.43	6.02	-60.29
O=C(C1CC[N@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145357	1	46	0.0	-66.46	339.93	5.86	-60.60
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145358	0	32	-1.0	-36.22	301.18	4.55	-31.67
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145358	1	32	-1.0	-36.22	301.13	4.52	-31.70
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145359	0	40	-1.0	-50.67	329.40	0.71	-49.96
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145359	1	40	-1.0	-50.66	329.46	0.74	-49.92
O=C(CC1=CN=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145360	0	41	-1.0	-51.18	332.66	5.83	-45.35
O=C(CC1=CN=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145360	1	41	-1.0	-51.17	332.61	5.81	-45.36
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CN1CCOCC1	REAL300020145361	0	46	-1.0	-45.77	351.48	2.18	-43.59
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CN1CCOCC1	REAL300020145361	1	46	-1.0	-45.80	351.54	2.20	-43.60
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145362	0	35	-1.0	-45.15	303.50	-0.49	-45.64
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145362	1	35	-1.0	-45.16	303.56	-0.46	-45.62
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145363	0	36	-1.0	-53.42	310.43	3.56	-49.86
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145363	1	36	-1.0	-53.42	310.49	3.59	-49.83
CN(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020145364	0	44	-1.0	-39.88	359.01	5.78	-34.10
CN(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020145364	1	44	-1.0	-39.89	359.07	5.81	-34.08
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145365	0	37	-1.0	-42.79	326.30	5.88	-36.91
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145365	1	37	-1.0	-42.79	326.36	5.90	-36.89
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(SCC(C)C)=N1	REAL300020145366	0	48	-1.0	-49.13	403.63	6.63	-42.50
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(SCC(C)C)=N1	REAL300020145366	1	48	-1.0	-49.07	403.69	6.65	-42.42
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=CC=C1Br	REAL300020145367	0	40	-1.0	-44.15	339.50	6.02	-38.13
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=CC=C1Br	REAL300020145367	1	40	-1.0	-44.18	339.56	6.04	-38.14
COC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145368	0	40	-1.0	-44.30	328.86	4.81	-39.49
COC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145368	1	40	-1.0	-44.35	328.91	4.83	-39.52
CC1=NNC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020145369	0	39	-1.0	-47.29	317.38	3.67	-43.62
CC1=NNC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020145369	1	39	-1.0	-47.29	317.43	3.70	-43.59
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145370	0	38	-1.0	-51.42	320.86	5.05	-46.37
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145370	1	38	-1.0	-51.40	320.80	5.02	-46.38
NC(=O)N=NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145371	0	39	-1.0	-49.84	331.67	-0.39	-50.23
NC(=O)N=NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145371	1	39	-1.0	-49.85	331.73	-0.36	-50.21
O=C(C1=CNC(=S)N1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145372	0	38	-1.0	-47.83	320.61	4.80	-43.03
O=C(C1=CNC(=S)N1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145372	1	38	-1.0	-47.81	320.67	4.83	-42.98
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145373	0	43	-1.0	-47.88	355.93	4.21	-43.67
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145373	1	43	-1.0	-47.89	355.99	4.24	-43.65
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145374	0	38	-1.0	-45.72	322.12	2.35	-43.37
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145374	1	38	-1.0	-45.73	322.07	2.32	-43.41
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145375	0	43	-1.0	-49.64	370.20	4.73	-44.91
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145375	1	43	-1.0	-49.69	370.26	4.76	-44.93
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145376	0	52	-1.0	-50.87	410.69	7.32	-43.55
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145376	1	52	-1.0	-50.85	410.75	7.35	-43.50
COCCCN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300020145377	0	45	-1.0	-44.99	367.60	2.78	-42.21
COCCCN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300020145377	1	45	-1.0	-44.97	367.66	2.80	-42.17
CC(C)(C)N1C=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020145378	0	42	-1.0	-47.38	351.72	5.47	-41.91
CC(C)(C)N1C=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020145378	1	42	-1.0	-47.38	351.67	5.44	-41.94
O=C(C1=C2C=CSC2=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145379	0	34	-1.0	-40.30	293.06	4.60	-35.70
O=C(C1=C2C=CSC2=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145379	1	34	-1.0	-40.31	293.00	4.58	-35.73
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145380	0	50	-1.0	-39.79	351.94	5.50	-34.29
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145380	1	50	-1.0	-39.81	352.00	5.53	-34.28
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145381	0	35	-1.0	-48.26	296.64	1.94	-46.32
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145381	1	35	-1.0	-48.26	296.58	1.91	-46.35
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145382	0	61	-1.0	-47.75	448.58	6.68	-41.07
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145382	1	61	-1.0	-47.79	448.63	6.71	-41.08
CC(C)(C)OC(=O)CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020145383	0	55	-1.0	-54.42	394.07	5.56	-48.86
CC(C)(C)OC(=O)CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020145383	1	55	-1.0	-54.41	394.13	5.58	-48.83
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020145384	0	47	-1.0	-47.90	374.53	5.91	-41.99
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020145384	1	47	-1.0	-47.87	374.58	5.94	-41.93
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145385	0	52	-1.0	-50.88	411.21	7.34	-43.54
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145385	1	52	-1.0	-50.86	411.27	7.37	-43.49
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145386	0	57	-1.0	-59.46	423.13	6.66	-52.80
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145386	1	57	-1.0	-59.43	423.19	6.69	-52.74
CC1=NN(C(C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145387	0	42	-1.0	-46.84	333.54	4.46	-42.38
CC1=NN(C(C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145387	1	42	-1.0	-46.81	333.60	4.49	-42.32
O=C(CCCC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145388	0	41	-1.0	-50.90	332.49	5.28	-45.62
O=C(CCCC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145388	1	41	-1.0	-50.96	332.43	5.26	-45.70
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020145389	0	40	-1.0	-44.60	337.34	4.83	-39.77
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020145389	1	40	-1.0	-44.65	337.40	4.86	-39.79
CC(C)(C)N1N=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020145390	0	43	-1.0	-54.15	348.03	3.02	-51.13
CC(C)(C)N1N=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020145390	1	43	-1.0	-54.16	348.09	3.05	-51.11
O=C(C1=CC=C2COCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145391	0	41	-1.0	-46.88	324.26	4.55	-42.33
O=C(C1=CC=C2COCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145391	1	41	-1.0	-46.89	324.32	4.57	-42.32
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145392	0	41	-1.0	-43.16	342.29	4.46	-38.70
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145392	1	41	-1.0	-43.22	342.34	4.48	-38.74
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145393	0	36	-1.0	-37.70	324.07	6.36	-31.34
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145393	1	36	-1.0	-37.73	324.13	6.39	-31.34
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145394	0	44	-1.0	-48.16	351.58	6.07	-42.09
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145394	1	44	-1.0	-48.18	351.64	6.09	-42.09
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145395	0	42	-1.0	-49.07	347.53	5.99	-43.08
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145395	1	42	-1.0	-49.07	347.59	6.02	-43.05
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145396	0	52	-1.0	-47.20	396.52	9.25	-37.95
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145396	1	52	-1.0	-47.18	396.58	9.27	-37.91
COCC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145397	0	39	-1.0	-45.67	320.48	2.31	-43.36
COCC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145397	1	39	-1.0	-45.65	320.43	2.29	-43.36
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCCCC1	REAL300020145398	0	42	-1.0	-42.99	311.82	5.20	-37.79
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCCCC1	REAL300020145398	1	42	-1.0	-42.99	311.88	5.23	-37.76
CN(C)C(=O)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020145399	0	49	-1.0	-50.29	365.49	4.70	-45.59
CN(C)C(=O)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020145399	1	49	-1.0	-50.28	365.55	4.72	-45.56
CC1=C(Br)C=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145400	0	35	-1.0	-41.93	303.66	3.76	-38.17
CC1=C(Br)C=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145400	1	35	-1.0	-41.91	303.72	3.78	-38.13
CC(C)[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CC2=CC=CC=C2C1=O	REAL300020145401	0	50	-1.0	-62.34	382.15	8.10	-54.24
CC(C)[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CC2=CC=CC=C2C1=O	REAL300020145401	1	50	-1.0	-62.38	382.21	8.13	-54.25
COC1=CC=C(OC(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145402	0	47	-1.0	-50.35	350.84	4.85	-45.50
COC1=CC=C(OC(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145402	1	47	-1.0	-50.34	350.90	4.87	-45.47
CC(C)CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020145403	0	48	-1.0	-46.12	385.11	8.23	-37.89
CC(C)CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020145403	1	48	-1.0	-46.14	385.16	8.26	-37.88
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145404	0	43	-1.0	-51.53	369.21	4.66	-46.87
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145404	1	43	-1.0	-51.48	369.27	4.69	-46.79
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020145405	0	46	-1.0	-47.34	365.19	4.70	-42.64
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020145405	1	46	-1.0	-47.34	365.25	4.72	-42.62
O=C(CC1=C(Cl)C=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145406	0	36	-1.0	-45.86	326.83	6.38	-39.48
O=C(CC1=C(Cl)C=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145406	1	36	-1.0	-45.89	326.89	6.41	-39.48
COC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020145407	0	40	-1.0	-49.93	337.71	5.21	-44.72
COC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020145407	1	40	-1.0	-49.92	337.76	5.23	-44.69
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145408	0	43	-1.0	-47.37	342.64	6.19	-41.18
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145408	1	43	-1.0	-47.40	342.69	6.21	-41.19
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300020145409	0	52	-1.0	-45.41	391.22	5.66	-39.75
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300020145409	1	52	-1.0	-45.38	391.28	5.68	-39.70
O=C(CCC1CC1(Cl)Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145410	0	36	-1.0	-47.15	319.21	5.79	-41.36
O=C(CCC1CC1(Cl)Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145410	1	36	-1.0	-47.14	319.26	5.82	-41.32
O=C(C(CC1COCCO1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145411	0	44	-1.0	-45.07	351.96	3.18	-41.89
O=C(C(CC1COCCO1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145411	1	44	-1.0	-45.06	352.02	3.20	-41.86
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145412	0	43	-1.0	-46.54	357.22	5.53	-41.01
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145412	1	43	-1.0	-46.52	357.28	5.55	-40.97
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145413	0	46	-1.0	-48.06	359.95	3.33	-44.73
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145413	1	46	-1.0	-48.10	360.01	3.35	-44.75
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145414	0	53	-1.0	-55.39	404.05	5.54	-49.85
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145414	1	53	-1.0	-55.39	404.10	5.56	-49.83
O=C(CC1=CC=C(Br)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145415	0	36	-1.0	-48.60	321.39	6.10	-42.50
O=C(CC1=CC=C(Br)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145415	1	36	-1.0	-48.59	321.44	6.12	-42.47
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145416	0	39	-1.0	-54.92	329.17	4.43	-50.49
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145416	1	39	-1.0	-54.92	329.12	4.41	-50.51
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(N2C=NN=N2)CCOCC1	REAL300020145417	0	42	-1.0	-40.18	320.69	2.54	-37.64
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(N2C=NN=N2)CCOCC1	REAL300020145417	1	42	-1.0	-40.17	320.63	2.51	-37.66
CC(C)N(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020145418	0	52	-1.0	-52.47	393.52	6.05	-46.42
CC(C)N(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020145418	1	52	-1.0	-52.43	393.58	6.08	-46.35
CC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300020145419	0	48	-1.0	-48.98	376.37	6.93	-42.05
CC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300020145419	1	48	-1.0	-49.02	376.42	6.96	-42.06
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145420	0	52	0.0	-73.52	373.85	5.23	-68.29
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145420	1	52	0.0	-72.85	374.52	5.22	-67.63
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145420	1	52	0.0	-73.48	373.79	5.21	-68.27
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145420	1	52	0.0	-72.83	374.46	5.20	-67.63
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300020145421	0	58	0.0	-76.14	430.93	7.12	-69.02
CC(C)[N@H+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300020145421	1	58	0.0	-70.00	416.13	6.84	-63.16
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300020145421	1	58	0.0	-76.15	430.87	7.10	-69.05
CC(C)[N@H+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300020145421	1	58	0.0	-69.96	416.07	6.81	-63.15
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CC1=CC=CC=C1	REAL300020145422	0	45	-1.0	-46.09	365.53	5.02	-41.07
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CC1=CC=CC=C1	REAL300020145422	1	45	-1.0	-46.06	365.47	4.99	-41.07
O=C(C1=C2CCCCN2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145423	0	41	-1.0	-42.09	320.36	5.79	-36.30
O=C(C1=C2CCCCN2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145423	1	41	-1.0	-42.04	320.42	5.82	-36.22
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020145424	0	46	-1.0	-43.75	371.19	7.64	-36.11
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020145424	1	46	-1.0	-43.74	371.13	7.62	-36.12
CCNC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020145425	0	37	-1.0	-38.65	314.07	2.45	-36.20
CCNC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020145425	1	37	-1.0	-38.62	314.01	2.43	-36.19
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C(Br)C=C1	REAL300020145426	0	36	-1.0	-39.88	323.20	6.03	-33.85
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C(Br)C=C1	REAL300020145426	1	36	-1.0	-39.84	323.25	6.05	-33.79
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145427	0	43	-1.0	-46.57	339.09	7.30	-39.27
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145427	1	43	-1.0	-46.62	339.15	7.32	-39.30
O=C(C1CC2=CC=CC=C2CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145428	0	41	-1.0	-48.58	322.50	5.73	-42.85
O=C(C1CC2=CC=CC=C2CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145428	1	41	-1.0	-48.62	322.56	5.75	-42.87
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020145429	0	46	-1.0	-47.88	343.24	5.55	-42.33
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020145429	1	46	-1.0	-47.92	343.30	5.57	-42.35
CC1CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020145430	0	41	-1.0	-45.65	326.94	5.06	-40.59
CC1CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020145430	1	41	-1.0	-45.66	327.00	5.08	-40.58
O=C(C1CC2(C1)CCCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145431	0	46	-1.0	-46.12	340.04	6.58	-39.54
O=C(C1CC2(C1)CCCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145431	1	46	-1.0	-46.12	340.10	6.61	-39.51
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145432	0	39	-1.0	-45.86	332.28	7.20	-38.66
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145432	1	39	-1.0	-45.86	332.34	7.22	-38.64
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145433	0	39	-1.0	-58.82	342.76	6.24	-52.58
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145433	1	39	-1.0	-58.86	342.71	6.21	-52.65
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CN(C)N=C1	REAL300020145434	0	47	-1.0	-50.73	380.73	6.29	-44.44
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CN(C)N=C1	REAL300020145434	1	47	-1.0	-50.72	380.68	6.26	-44.46
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020145435	0	42	-1.0	-49.30	366.13	5.81	-43.49
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020145435	1	42	-1.0	-49.28	366.07	5.79	-43.49
COCC1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145436	0	37	-1.0	-38.33	315.46	3.14	-35.19
COCC1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145436	1	37	-1.0	-38.35	315.51	3.17	-35.18
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145437	0	46	0.0	-67.74	357.94	5.07	-62.67
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145437	1	46	0.0	-67.73	358.00	5.09	-62.64
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145438	0	47	-1.0	-48.69	381.97	5.23	-43.46
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145438	1	47	-1.0	-48.71	381.91	5.20	-43.51
NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Br)=N1	REAL300020145439	0	34	-1.0	-42.95	300.55	1.91	-41.04
NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Br)=N1	REAL300020145439	1	34	-1.0	-42.91	300.49	1.89	-41.02
O=C(C1=NOC2=C1COCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145440	0	37	-1.0	-44.24	298.89	2.60	-41.64
O=C(C1=NOC2=C1COCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145440	1	37	-1.0	-44.25	298.95	2.63	-41.62
CC1=CN2C=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=N1	REAL300020145441	0	39	-1.0	-45.20	323.56	5.78	-39.42
CC1=CN2C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=N1	REAL300020145441	1	39	-1.0	-45.20	323.62	5.80	-39.40
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145442	0	47	-1.0	-48.86	382.49	8.79	-40.07
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145442	1	47	-1.0	-48.82	382.54	8.82	-40.00
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CNC2=C1	REAL300020145443	0	47	-1.0	-65.34	382.41	4.30	-61.04
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CNC2=C1	REAL300020145443	1	47	-1.0	-65.37	382.47	4.32	-61.05
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145444	0	41	-1.0	-53.29	334.63	3.22	-50.07
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145444	1	41	-1.0	-53.33	334.69	3.24	-50.09
CNC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020145445	0	38	-1.0	-40.31	308.73	3.26	-37.05
CNC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020145445	1	38	-1.0	-40.26	308.79	3.29	-36.97
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300020145446	0	56	-1.0	-54.79	425.09	3.15	-51.64
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300020145446	1	56	-1.0	-54.81	425.15	3.17	-51.64
O=C(C1CCC2C(C1)C2(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145447	0	40	-1.0	-49.95	312.68	5.59	-44.36
O=C(C1CCC2C(C1)C2(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145447	1	40	-1.0	-49.95	312.74	5.61	-44.34
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145448	0	44	-1.0	-54.71	350.86	1.31	-53.40
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145448	1	44	-1.0	-54.65	350.92	1.34	-53.31
COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300020145449	0	44	-1.0	-53.00	363.18	4.92	-48.08
COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300020145449	1	44	-1.0	-53.03	363.24	4.95	-48.08
CC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020145450	0	39	-1.0	-47.10	331.08	6.53	-40.57
CC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020145450	1	39	-1.0	-47.10	331.14	6.55	-40.55
O=C(C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)N1CCOCC1	REAL300020145451	0	48	-1.0	-47.65	372.46	3.81	-43.84
O=C(C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)N1CCOCC1	REAL300020145451	1	48	-1.0	-47.67	372.52	3.84	-43.83
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145452	0	42	-1.0	-56.89	347.60	4.87	-52.02
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145452	1	42	-1.0	-56.90	347.54	4.84	-52.06
CC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC=C1Cl	REAL300020145453	0	38	-1.0	-51.96	323.92	4.91	-47.05
CC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC=C1Cl	REAL300020145453	1	38	-1.0	-51.89	323.98	4.94	-46.95
NC1=C(Cl)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020145454	0	35	-1.0	-43.47	313.62	3.44	-40.03
NC1=C(Cl)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020145454	1	35	-1.0	-43.46	313.67	3.46	-40.00
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC(F)(F)CC1	REAL300020145455	0	45	-1.0	-46.52	326.99	5.44	-41.08
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC(F)(F)CC1	REAL300020145455	1	45	-1.0	-46.49	327.05	5.46	-41.03
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145456	0	36	-1.0	-43.49	317.03	3.35	-40.14
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145456	1	36	-1.0	-43.50	316.97	3.32	-40.18
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145457	0	45	-1.0	-49.07	335.76	5.32	-43.75
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145457	1	45	-1.0	-49.04	335.82	5.35	-43.69
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCOCC1	REAL300020145458	0	40	-1.0	-42.81	302.73	2.61	-40.20
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCOCC1	REAL300020145458	1	40	-1.0	-42.83	302.78	2.63	-40.20
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145459	0	36	-1.0	-44.53	321.33	5.88	-38.65
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145459	1	36	-1.0	-44.51	321.39	5.90	-38.61
CSCC[C@H](NC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145460	0	42	-1.0	-58.83	342.26	1.01	-57.82
CSCC[C@H](NC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145460	1	42	-1.0	-58.89	342.32	1.04	-57.85
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300020145461	0	46	-1.0	-45.92	353.27	7.77	-38.15
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300020145461	1	46	-1.0	-45.94	353.33	7.80	-38.14
CCCCCCCCCCCCC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145462	0	68	-1.0	-46.36	493.98	11.41	-34.95
CCCCCCCCCCCCC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145462	1	68	-1.0	-46.36	494.04	11.43	-34.93
CCN1C(=O)NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020145463	0	43	-1.0	-40.40	349.71	4.23	-36.17
CCN1C(=O)NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020145463	1	43	-1.0	-40.38	349.77	4.26	-36.12
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145464	0	44	-1.0	-41.53	354.82	4.90	-36.63
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145464	1	44	-1.0	-41.54	354.88	4.93	-36.61
CC1(C)CCCC(O)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145465	0	46	-1.0	-43.34	331.24	3.25	-40.09
CC1(C)CCCC(O)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145465	1	46	-1.0	-43.33	331.29	3.28	-40.05
COC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020145466	0	44	-1.0	-52.56	343.58	3.55	-49.01
COC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020145466	1	44	-1.0	-52.55	343.63	3.58	-48.97
O=C(CCC1=CC=CN=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145467	0	38	-1.0	-47.82	323.81	4.79	-43.03
O=C(CCC1=CC=CN=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145467	1	38	-1.0	-47.80	323.75	4.77	-43.03
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145468	0	56	-1.0	-53.75	413.96	6.64	-47.11
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145468	1	56	-1.0	-53.79	414.02	6.67	-47.12
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145469	0	45	-1.0	-48.98	382.88	6.62	-42.36
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145469	1	45	-1.0	-48.93	382.82	6.59	-42.34
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145470	0	56	-1.0	-46.10	432.26	3.04	-43.06
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145470	1	56	-1.0	-46.06	432.31	3.07	-42.99
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020145471	0	52	-1.0	-53.20	415.95	1.96	-51.24
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020145471	1	52	-1.0	-53.16	415.89	1.94	-51.22
CN1C(=O)CO[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CN=C1	REAL300020145472	0	47	-1.0	-44.99	362.31	2.69	-42.30
CN1C(=O)CO[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CN=C1	REAL300020145472	1	47	-1.0	-45.04	362.25	2.67	-42.37
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145473	0	48	-1.0	-39.65	362.82	5.29	-34.36
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145473	1	48	-1.0	-39.60	362.88	5.32	-34.28
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1(C)C	REAL300020145474	0	51	-1.0	-46.81	387.27	6.83	-39.98
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1(C)C	REAL300020145474	1	51	-1.0	-46.82	387.33	6.85	-39.97
CC(C)(C)OC(=O)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300020145475	0	54	-1.0	-49.23	403.36	7.52	-41.71
CC(C)(C)OC(=O)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020145475	1	54	-1.0	-49.26	403.41	7.55	-41.71
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020145476	0	40	-1.0	-53.36	349.39	1.73	-51.63
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020145476	1	40	-1.0	-53.35	349.45	1.75	-51.60
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145477	0	43	-1.0	-50.16	359.47	6.26	-43.90
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145477	1	43	-1.0	-50.17	359.53	6.28	-43.89
O=C(C1=CC(Br)=CNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145478	0	33	-1.0	-46.07	294.02	2.05	-44.02
O=C(C1=CC(Br)=CNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145478	1	33	-1.0	-46.06	294.08	2.07	-43.99
COCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020145479	0	46	-1.0	-50.16	331.90	3.97	-46.19
COCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020145479	1	46	-1.0	-50.13	331.96	3.99	-46.14
O=C(C1=CN=C2CCCCCN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145480	0	43	-1.0	-45.64	324.04	4.74	-40.90
O=C(C1=CN=C2CCCCCN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145480	1	43	-1.0	-45.61	324.10	4.76	-40.85
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145481	0	42	-1.0	-42.70	344.59	7.31	-35.39
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145481	1	42	-1.0	-42.70	344.64	7.34	-35.36
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020145482	0	39	-1.0	-45.62	331.22	0.82	-44.80
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020145482	1	39	-1.0	-45.63	331.27	0.85	-44.78
O=C(C1=CC2=CSC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145483	0	33	-1.0	-45.19	297.96	4.81	-40.38
O=C(C1=CC2=CSC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145483	1	33	-1.0	-45.21	298.01	4.83	-40.38
CC1=CC=CC=C1CC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145484	0	45	-1.0	-44.94	346.93	7.03	-37.91
CC1=CC=CC=C1CC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145484	1	45	-1.0	-44.93	346.99	7.06	-37.87
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(C(F)F)=C1	REAL300020145485	0	36	-1.0	-43.75	303.68	4.45	-39.30
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(C(F)F)=C1	REAL300020145485	1	36	-1.0	-43.77	303.73	4.48	-39.29
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145486	0	41	-1.0	-50.15	337.10	7.67	-42.48
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145486	1	41	-1.0	-50.13	337.15	7.70	-42.43
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145487	0	40	-1.0	-51.78	351.27	7.63	-44.15
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145487	1	40	-1.0	-51.81	351.33	7.65	-44.16
CC1=CC=C2OC=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020145488	0	42	-1.0	-51.30	344.02	6.48	-44.82
CC1=CC=C2OC=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020145488	1	42	-1.0	-51.32	344.08	6.50	-44.82
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020145489	0	40	-1.0	-49.12	327.20	5.32	-43.80
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020145489	1	40	-1.0	-49.11	327.26	5.35	-43.76
CCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020145490	0	45	-1.0	-49.54	367.69	7.74	-41.80
CCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020145490	1	45	-1.0	-49.52	367.75	7.77	-41.75
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=NN(C)C=C1	REAL300020145491	0	47	-1.0	-54.64	374.57	6.91	-47.73
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=NN(C)C=C1	REAL300020145491	1	47	-1.0	-54.62	374.52	6.88	-47.74
CC(C)C1=NC=CN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145492	0	42	-1.0	-52.29	337.30	5.29	-47.00
CC(C)C1=NC=CN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145492	1	42	-1.0	-52.27	337.36	5.31	-46.96
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145492	1	43	0.0	-60.34	335.98	5.91	-54.43
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145493	0	53	-1.0	-44.00	408.74	2.18	-41.82
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145493	1	53	-1.0	-44.03	408.79	2.21	-41.82
O=C(C1CN(C2CCOC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145494	0	43	-1.0	-45.39	332.23	0.52	-44.87
O=C(C1C[NH+](C2CCOC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145494	1	44	0.0	-74.34	336.61	3.54	-70.80
O=C(C1CN(C2CCOC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145494	1	43	-1.0	-45.41	332.29	0.55	-44.86
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145495	0	43	-1.0	-51.15	350.63	7.82	-43.33
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145495	1	43	-1.0	-51.18	350.69	7.84	-43.34
COC1=CC=C([C@]2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@H](O)C2)C=C1	REAL300020145496	0	48	-1.0	-46.92	368.73	2.42	-44.50
COC1=CC=C([C@]2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@H](O)C2)C=C1	REAL300020145496	1	48	-1.0	-46.92	368.79	2.45	-44.47
O=C(CN1CSCCSC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145497	0	40	-1.0	-47.45	329.33	3.19	-44.26
O=C(CN1CSCCSC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145497	1	40	-1.0	-47.45	329.38	3.22	-44.23
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300020145498	0	46	0.0	-77.23	317.79	4.81	-72.42
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC[NH+](CCC1)C2	REAL300020145498	1	46	0.0	-77.25	317.84	4.83	-72.42
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=C(F)C=CC=C1F	REAL300020145499	0	41	-1.0	-48.79	343.55	6.11	-42.68
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=C(F)C=CC=C1F	REAL300020145499	1	41	-1.0	-48.82	343.61	6.14	-42.68
O=C(C1=CN=C2COCCN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145500	0	38	-1.0	-45.82	302.32	2.06	-43.76
O=C(C1=CN=C2COCCN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145500	1	38	-1.0	-45.79	302.38	2.09	-43.70
N#CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020145501	0	41	-1.0	-55.36	318.94	3.10	-52.26
N#CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020145501	1	41	-1.0	-55.33	319.00	3.13	-52.20
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145502	0	49	-1.0	-57.01	389.71	5.54	-51.47
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145502	1	49	-1.0	-57.03	389.77	5.56	-51.47
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145503	0	54	-1.0	-61.37	405.42	3.24	-58.13
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145503	1	54	-1.0	-61.35	405.48	3.27	-58.08
O=C(C1CC(=O)NC2CCCCC21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145504	0	47	-1.0	-54.64	341.41	2.94	-51.70
O=C(C1CC(=O)NC2CCCCC21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145504	1	47	-1.0	-54.62	341.47	2.96	-51.66
N#CC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300020145505	0	36	-2.0	-101.76	320.92	-0.13	-101.89
N#CC1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300020145505	1	36	-2.0	-101.75	320.98	-0.10	-101.85
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145506	0	47	0.0	-70.52	352.68	4.10	-66.42
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145506	1	47	0.0	-70.55	352.73	4.13	-66.42
O=C(CC1=CC=C(Br)C(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145507	0	37	-1.0	-49.87	326.14	3.27	-46.60
O=C(CC1=CC=C(Br)C(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145507	1	37	-1.0	-49.94	326.20	3.30	-46.64
CC(C)(C)OC(=O)NCC(O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145508	0	50	-1.0	-51.89	392.23	0.66	-51.23
CC(C)(C)OC(=O)NCC(O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145508	1	50	-1.0	-51.88	392.29	0.68	-51.20
N#CC1=CN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300020145509	0	39	-2.0	-90.91	341.95	0.38	-90.53
N#CC1=CN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300020145509	1	39	-2.0	-90.93	342.01	0.41	-90.52
COC1=CC=C(CN2CCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145510	0	49	-1.0	-52.44	387.83	3.45	-48.99
COC1=CC=C(CN2CCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145510	1	49	-1.0	-52.45	387.89	3.48	-48.97
O=C(C1=CC(N2CCOCC2)=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145511	0	44	-1.0	-39.73	346.62	3.36	-36.37
O=C(C1=CC(N2CCOCC2)=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145511	1	44	-1.0	-39.69	346.56	3.33	-36.36
O=C(C1=C(O)C2=CC(O)=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145512	0	41	-1.0	-52.08	337.22	1.41	-50.67
O=C(C1=C(O)C2=CC(O)=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145512	1	41	-1.0	-52.07	337.28	1.43	-50.64
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145512	1	40	-2.0	-111.69	333.45	2.27	-109.42
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145512	1	40	-2.0	-111.65	333.50	2.30	-109.35
CC(C)(C)OC(=O)N1CC(O)CC1(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145513	0	54	-1.0	-61.21	398.53	2.30	-58.91
CC(C)(C)OC(=O)N1CC(O)CC1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145513	1	54	-1.0	-61.22	398.59	2.32	-58.90
CN(CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145514	0	47	-1.0	-46.63	367.53	5.30	-41.33
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145514	1	48	0.0	-68.55	369.43	7.60	-60.95
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145514	1	48	0.0	-68.50	369.47	7.61	-60.89
CN(CCC1=CC=CC=C1)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145514	1	47	-1.0	-46.65	367.59	5.33	-41.32
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145515	0	52	0.0	-69.19	398.37	3.81	-65.38
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145515	1	52	0.0	-70.57	398.42	3.81	-66.76
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145515	1	52	0.0	-69.21	398.43	3.83	-65.38
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145515	1	52	0.0	-70.55	398.48	3.84	-66.71
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CSCCSC1	REAL300020145516	0	43	-1.0	-47.14	336.24	3.24	-43.90
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CSCCSC1	REAL300020145516	1	43	-1.0	-47.12	336.30	3.27	-43.85
O=C(CCN1CSCCSC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145517	0	43	-1.0	-47.08	348.66	3.55	-43.53
O=C(CCN1CSCCSC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145517	1	43	-1.0	-47.05	348.71	3.58	-43.47
NC(=O)C1=CN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC1=O	REAL300020145518	0	43	-1.0	-50.54	357.13	-1.17	-51.71
NC(=O)C1=CN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC1=O	REAL300020145518	1	43	-1.0	-50.51	357.19	-1.14	-51.65
O=C(C1CC2=C(Cl)C=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145519	0	37	-1.0	-46.41	314.84	6.38	-40.03
O=C(C1CC2=C(Cl)C=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145519	1	37	-1.0	-46.45	314.90	6.41	-40.04
O=C(C1=CC=C(C2=CSN=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145520	0	38	-1.0	-51.93	325.67	4.43	-47.50
O=C(C1=CC=C(C2=CSN=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145520	1	38	-1.0	-51.95	325.73	4.46	-47.49
O=C(C1CCC2=CC=CC=C2CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145521	0	46	-1.0	-47.87	348.57	7.44	-40.43
O=C(C1CCC2=CC=CC=C2CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145521	1	46	-1.0	-47.89	348.63	7.47	-40.42
O=C(CC(C1CCC1)C1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145522	0	49	-1.0	-46.38	359.37	7.65	-38.73
O=C(CC(C1CCC1)C1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145522	1	49	-1.0	-46.40	359.43	7.67	-38.73
CC1=CC=C(COC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145523	0	46	-1.0	-39.32	367.09	7.01	-32.31
CC1=CC=C(COC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145523	1	46	-1.0	-39.28	367.15	7.03	-32.25
O=C(C1=CC2=CC(Br)=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145524	0	36	-1.0	-37.58	328.63	6.48	-31.10
O=C(C1=CC2=CC(Br)=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145524	1	36	-1.0	-37.65	328.69	6.50	-31.15
O=C(C1C2CCCCCCC21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145525	0	46	-1.0	-46.13	334.82	6.63	-39.50
O=C(C1C2CCCCCCC21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145525	1	46	-1.0	-46.12	334.88	6.66	-39.46
O=C(C1CCC(C2CC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145526	0	46	-1.0	-45.73	346.19	6.92	-38.81
O=C(C1CCC(C2CC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145526	1	46	-1.0	-45.72	346.25	6.94	-38.78
O=C(C1=C2SC=CC2=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145527	0	34	-1.0	-41.86	296.89	4.47	-37.39
O=C(C1=C2SC=CC2=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145527	1	34	-1.0	-41.84	296.84	4.44	-37.40
CCCCCCCCC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145528	0	53	-1.0	-45.85	401.61	8.30	-37.55
CCCCCCCCC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145528	1	53	-1.0	-45.84	401.67	8.33	-37.51
O=C(C[NH+]1CCC(CO)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146529	0	46	0.0	-68.72	343.70	2.33	-66.39
O=C(CN1CCC(CO)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146529	1	45	-1.0	-47.57	342.11	0.13	-47.44
O=C(CN1CCC(CO)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146529	1	45	-1.0	-47.55	342.17	0.16	-47.39
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146530	0	38	-1.0	-52.34	335.37	6.50	-45.84
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146530	1	38	-1.0	-52.36	335.43	6.53	-45.83
O=C(C1=CS(=O)(=O)CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146531	0	37	-1.0	-45.45	305.32	0.62	-44.83
O=C(C1=CS(=O)(=O)CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146531	1	37	-1.0	-45.45	305.38	0.64	-44.81
O=CC1=CC=C(C2=CC=C(O)C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020146532	0	43	-1.0	-51.39	364.42	3.42	-47.97
O=CC1=CC=C(C2=CC=C(O)C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020146532	1	43	-1.0	-51.43	364.48	3.44	-47.99
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020146532	1	42	-2.0	-102.81	360.88	4.19	-98.62
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020146532	1	42	-2.0	-102.80	360.94	4.21	-98.59
O=C(C1=CC=NC(Cl)=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146533	0	32	-1.0	-46.21	299.62	3.65	-42.56
O=C(C1=CC=NC(Cl)=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146533	1	32	-1.0	-46.21	299.57	3.63	-42.58
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146534	0	45	0.0	-69.49	319.47	1.76	-67.73
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146534	1	45	0.0	-71.77	319.51	1.73	-70.04
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146534	1	45	0.0	-69.48	319.53	1.78	-67.70
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146534	1	45	0.0	-71.79	319.56	1.76	-70.03
CC1CN2CCN1CC2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146534	1	44	-1.0	-45.94	315.27	-0.65	-46.59
CC1CN2CCN1CC2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146534	1	44	-1.0	-45.95	315.32	-0.62	-46.57
O=C(C1=NN2CCCC(O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146535	0	41	-1.0	-48.92	325.05	1.12	-47.80
O=C(C1=NN2CCCC(O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146535	1	41	-1.0	-48.92	325.10	1.15	-47.77
O=C(C1=C(F)N2C=C(Br)C=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146536	0	36	-1.0	-41.33	324.69	6.38	-34.95
O=C(C1=C(F)N2C=C(Br)C=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146536	1	36	-1.0	-41.35	324.63	6.35	-35.00
O=C(C1=C2N=CNC2=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146537	0	36	-1.0	-57.65	306.70	4.29	-53.36
O=C(C1=C2N=CNC2=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146537	1	36	-1.0	-57.63	306.76	4.32	-53.31
O=C(C1=C2NC=NC2=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146537	1	36	-1.0	-47.45	306.78	4.29	-43.16
O=C(C1=C2NC=NC2=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146537	1	36	-1.0	-47.43	306.84	4.32	-43.11
O=C(C1=NC=C(C(F)(F)F)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146538	0	35	-1.0	-37.26	318.77	4.82	-32.44
O=C(C1=NC=C(C(F)(F)F)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146538	1	35	-1.0	-37.25	318.71	4.79	-32.46
O=C(C1=CC2=NC=CN=C2C(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146539	0	37	-1.0	-47.29	327.02	3.63	-43.66
O=C(C1=CC2=NC=CN=C2C(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146539	1	37	-1.0	-47.26	326.97	3.60	-43.66
CC1=CC(C)=NN1CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146540	0	45	-1.0	-54.42	360.27	5.29	-49.13
CC1=CC(C)=NN1CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146540	1	45	-1.0	-54.44	360.33	5.31	-49.13
O=C(C1=NC=CC2=CC=CN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146541	0	37	-1.0	-55.56	306.15	4.02	-51.54
O=C(C1=NC=CC2=CC=CN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146541	1	37	-1.0	-55.55	306.10	4.00	-51.55
CC1=C(Br)C=CC(F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146542	0	36	-1.0	-45.38	318.08	5.68	-39.70
CC1=C(Br)C=CC(F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146542	1	36	-1.0	-45.32	318.14	5.71	-39.61
CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCS(=O)(=O)N1	REAL300020146543	0	41	-1.0	-57.82	325.80	-0.33	-58.15
CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCS(=O)(=O)N1	REAL300020146543	1	41	-1.0	-57.81	325.86	-0.31	-58.12
O=C(C1=CC=NC2=CC(Cl)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146544	0	38	-1.0	-45.21	325.85	5.31	-39.90
O=C(C1=CC=NC2=CC(Cl)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146544	1	38	-1.0	-45.25	325.79	5.28	-39.97
O=C(C1=CC=C2OCCNC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146545	0	42	-1.0	-51.18	338.27	1.65	-49.53
O=C(C1=CC=C2OCCNC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146545	1	42	-1.0	-51.18	338.33	1.67	-49.51
O=C(CC1C(=O)NC2=C(F)C=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146546	0	41	-1.0	-57.00	337.79	5.27	-51.73
O=C(CC1C(=O)NC2=C(F)C=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146546	1	41	-1.0	-56.99	337.85	5.30	-51.69
CC1=CC=CN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020146547	0	40	-1.0	-42.44	322.13	6.71	-35.73
CC1=CC=CN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020146547	1	40	-1.0	-42.46	322.19	6.74	-35.72
COC1=CC=CC(CC(C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146548	0	49	-1.0	-50.07	379.79	6.75	-43.32
COC1=CC=CC(CC(C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146548	1	49	-1.0	-50.06	379.85	6.78	-43.28
CC(C)C1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCO1	REAL300020146549	0	46	-1.0	-47.07	345.50	4.60	-42.47
CC(C)C1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCO1	REAL300020146549	1	46	-1.0	-47.07	345.56	4.62	-42.45
O=C(C1=CC=CC2=C1CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146550	0	41	-1.0	-47.61	322.55	4.45	-43.16
O=C(C1=CC=CC2=C1CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146550	1	41	-1.0	-47.60	322.61	4.48	-43.12
O=C(CC1CCCC(C(F)(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146551	0	43	-1.0	-51.67	347.97	5.50	-46.17
O=C(CC1CCCC(C(F)(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146551	1	43	-1.0	-51.69	348.03	5.53	-46.16
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CS(=O)(=O)C1	REAL300020146552	0	37	-1.0	-51.16	303.26	-0.21	-51.37
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CS(=O)(=O)C1	REAL300020146552	1	37	-1.0	-51.17	303.32	-0.18	-51.35
O=C(CC1CCC(C2CC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146553	0	44	-1.0	-51.00	343.32	5.71	-45.29
O=C(CC1CCC(C2CC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146553	1	44	-1.0	-51.00	343.38	5.74	-45.26
O=C([C@H]1CC[C@H](NC2=CN=CC=N2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146554	0	49	-1.0	-50.04	377.92	3.96	-46.08
O=C([C@H]1CC[C@H](NC2=CN=CC=N2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146554	1	49	-1.0	-50.06	377.86	3.92	-46.14
COC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146555	0	39	-1.0	-53.52	320.30	2.43	-51.09
COC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146555	1	39	-1.0	-53.47	320.36	2.46	-51.01
CC(C)(C1=NN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1)S(C)(=O)=O	REAL300020146556	0	43	-1.0	-60.71	359.84	-2.92	-63.63
CC(C)(C1=NN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1)S(C)(=O)=O	REAL300020146556	1	43	-1.0	-60.67	359.78	-2.94	-63.61
O=C([C@H]1CC[C@H](NC2=NC=CC=N2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146557	0	49	-1.0	-50.03	381.42	6.61	-43.42
O=C([C@H]1CC[C@H](NC2=NC=CC=N2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146557	1	49	-1.0	-50.03	381.36	6.58	-43.45
O=C(C1CS(=O)(=O)CC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146558	0	37	-1.0	-53.48	309.75	-2.75	-56.23
O=C(C1CS(=O)(=O)CC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146558	1	37	-1.0	-53.52	309.81	-2.72	-56.24
O=C(C1=NC=C(Br)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146559	0	31	-1.0	-39.26	283.33	2.91	-36.35
O=C(C1=NC=C(Br)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146559	1	31	-1.0	-39.19	283.28	2.89	-36.30
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146560	0	55	0.0	-72.77	424.34	7.95	-64.82
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146560	1	55	0.0	-72.81	424.40	7.97	-64.84
COC(=O)C1=CC=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020146561	0	42	-1.0	-61.66	351.77	5.51	-56.15
COC(=O)C1=CC=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020146561	1	42	-1.0	-61.67	351.83	5.53	-56.14
O=C(C1CCCN(CC(F)(F)F)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146562	0	43	-1.0	-49.72	347.80	4.19	-45.53
O=C(C1CCCN(CC(F)(F)F)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146562	1	43	-1.0	-49.72	347.85	4.21	-45.51
O=CC1=CNC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020146563	0	39	-1.0	-55.49	323.37	4.21	-51.28
O=CC1=CNC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020146563	1	39	-1.0	-55.51	323.43	4.23	-51.28
COC(=O)C1=CC(F)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146564	0	39	-1.0	-46.95	331.77	5.17	-41.78
COC(=O)C1=CC(F)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146564	1	39	-1.0	-47.00	331.82	5.19	-41.81
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146565	0	37	-2.0	-83.64	345.46	2.97	-80.67
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146565	1	37	-2.0	-83.62	345.52	3.00	-80.62
COC1=C(Cl)C=C(O)C(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146565	1	38	-1.0	-45.91	349.11	2.22	-43.69
COC1=C(Cl)C=C(O)C(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146565	1	38	-1.0	-45.91	349.16	2.24	-43.67
O=CC1=CC=CN1C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146566	0	46	-1.0	-50.79	380.74	7.88	-42.91
O=CC1=CC=CN1C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146566	1	46	-1.0	-50.75	380.80	7.91	-42.84
C=CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020146567	0	54	-1.0	-46.17	414.92	5.77	-40.40
C=CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020146567	1	54	-1.0	-46.20	414.97	5.79	-40.41
CC(C)C[NH+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020146568	0	51	0.0	-72.53	371.03	6.81	-65.72
CC(C)C[NH+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020146568	1	51	0.0	-72.50	371.09	6.84	-65.66
O=C(C1CC2(C1)CS(=O)(=O)C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146569	0	40	-1.0	-52.83	328.05	1.41	-51.42
O=C(C1CC2(C1)CS(=O)(=O)C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146569	1	40	-1.0	-52.81	328.10	1.43	-51.38
NS(=O)(=O)C1=C(Cl)OC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146570	0	35	-1.0	-40.67	323.79	-1.86	-42.53
NS(=O)(=O)C1=C(Cl)OC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146570	1	35	-1.0	-40.73	323.84	-1.83	-42.56
O=C(C1=CN(C(F)(F)CO)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146571	0	36	-1.0	-44.36	311.40	-0.98	-45.34
O=C(C1=CN(C(F)(F)CO)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146571	1	36	-1.0	-44.39	311.35	-1.00	-45.39
COC1=NSC(OC)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146572	0	37	-1.0	-48.66	323.74	-0.03	-48.69
COC1=NSC(OC)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146572	1	37	-1.0	-48.69	323.68	-0.06	-48.75
CN1N=C(C(F)(F)F)C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020146573	0	41	-1.0	-43.16	355.78	4.59	-38.57
CN1N=C(C(F)(F)F)C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020146573	1	41	-1.0	-43.16	355.72	4.56	-38.60
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CCC2=CC=CC=C2)CC1	REAL300020146574	0	46	-1.0	-47.47	364.80	7.99	-39.48
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CCC2=CC=CC=C2)CC1	REAL300020146574	1	46	-1.0	-47.50	364.85	8.02	-39.48
O=C(C1=CC=CC=C1S(=O)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146575	0	38	-1.0	-62.45	331.42	5.07	-57.38
O=C(C1=CC=CC=C1S(=O)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146575	1	38	-1.0	-62.44	331.48	5.09	-57.35
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOC2=CC=CC=C21	REAL300020146576	0	44	-1.0	-48.65	328.21	4.88	-43.77
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOC2=CC=CC=C21	REAL300020146576	1	44	-1.0	-48.66	328.26	4.90	-43.76
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCCO1	REAL300020146577	0	44	-1.0	-44.76	340.41	5.76	-39.00
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCCO1	REAL300020146577	1	44	-1.0	-44.75	340.47	5.78	-38.97
CC1=C(C)C2=C(CCC(C)(C(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)C(C)=C1O	REAL300020146578	0	54	-1.0	-39.68	395.95	4.88	-34.80
CC1=C(C)C2=C(CCC(C)(C(=O)N3CCCC(C4=NN=N[N-]4)C3)O2)C(C)=C1O	REAL300020146578	1	54	-1.0	-39.68	396.01	4.91	-34.77
COC1=CC(C=O)=CC(Cl)=C1OC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146579	0	46	-1.0	-44.54	385.98	5.78	-38.76
COC1=CC(C=O)=CC(Cl)=C1OC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146579	1	46	-1.0	-44.51	386.03	5.80	-38.71
O=C(C=CC1=CC=C(C2=CC=CC=C2Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146580	0	44	-1.0	-39.99	388.64	9.24	-30.75
O=C(C=CC1=CC=C(C2=CC=CC=C2Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146580	1	44	-1.0	-39.96	388.70	9.26	-30.70
O=C(C1=C2CCCNC2=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146581	0	39	-1.0	-43.97	312.69	1.71	-42.26
O=C(C1=C2CCCNC2=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146581	1	39	-1.0	-44.02	312.75	1.73	-42.29
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(CS(C)(=O)=O)=N1	REAL300020146582	0	44	-1.0	-59.64	384.59	1.46	-58.18
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(CS(C)(=O)=O)=N1	REAL300020146582	1	44	-1.0	-59.62	384.65	1.49	-58.13
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146583	0	33	-2.0	-94.96	311.26	3.80	-91.16
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146583	1	33	-2.0	-94.97	311.32	3.82	-91.15
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2NC1=O	REAL300020146584	0	42	-1.0	-46.59	343.32	4.14	-42.45
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2NC1=O	REAL300020146584	1	42	-1.0	-46.60	343.37	4.17	-42.43
CC1(O)CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020146585	0	46	-1.0	-48.36	339.05	2.78	-45.58
CC1(O)CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020146585	1	46	-1.0	-48.33	339.10	2.80	-45.53
O=C(C1=C(Cl)C=CN=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146586	0	32	-1.0	-47.83	291.42	3.23	-44.60
O=C(C1=C(Cl)C=CN=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146586	1	32	-1.0	-47.82	291.36	3.21	-44.61
CC1=CC(C=O)=C(O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146587	0	39	-1.0	-46.10	325.56	2.39	-43.71
CC1=CC(C=O)=C(O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146587	1	39	-1.0	-46.07	325.62	2.42	-43.65
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146587	1	38	-2.0	-92.18	320.90	3.13	-89.05
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146587	1	38	-2.0	-92.11	320.96	3.15	-88.96
COC(=O)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020146588	0	36	-1.0	-56.16	313.09	4.93	-51.23
COC(=O)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020146588	1	36	-1.0	-56.15	313.14	4.95	-51.20
O=C(CC1=CC=CC2=NSN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146589	0	37	-1.0	-51.77	318.94	3.76	-48.01
O=C(CC1=CC=CC2=NSN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146589	1	37	-1.0	-51.78	319.00	3.78	-48.00
COC12CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CC1)C(=O)C2	REAL300020146590	0	46	-1.0	-47.30	333.39	3.20	-44.10
COC12CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CC1)C(=O)C2	REAL300020146590	1	46	-1.0	-47.30	333.45	3.23	-44.07
CC(O)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020146591	0	40	-1.0	-44.42	318.64	3.12	-41.30
CC(O)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020146591	1	40	-1.0	-44.45	318.70	3.14	-41.31
CC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1I	REAL300020146592	0	33	-1.0	-41.07	302.93	2.66	-38.41
CC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1I	REAL300020146592	1	33	-1.0	-41.08	302.99	2.69	-38.39
CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146593	0	39	-1.0	-49.49	332.77	0.06	-49.43
CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146593	1	39	-1.0	-49.51	332.83	0.08	-49.43
COC1=CC=C2NC=CC2=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146594	0	41	-1.0	-54.50	334.69	3.93	-50.57
COC1=CC=C2NC=CC2=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146594	1	41	-1.0	-54.52	334.75	3.95	-50.57
O=C(CC1C=CS(=O)(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146595	0	37	-1.0	-53.70	308.27	0.88	-52.82
O=C(CC1C=CS(=O)(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146595	1	37	-1.0	-53.74	308.33	0.91	-52.83
CN(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C=O	REAL300020146596	0	43	-1.0	-51.24	346.25	4.04	-47.20
CN(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C=O	REAL300020146596	1	43	-1.0	-51.26	346.30	4.06	-47.20
CN1CCN2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2S1(=O)=O	REAL300020146597	0	42	-1.0	-60.79	348.42	-0.28	-61.07
CN1CCN2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2S1(=O)=O	REAL300020146597	1	42	-1.0	-60.76	348.37	-0.31	-61.07
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(O)C1	REAL300020146598	0	54	-1.0	-49.17	410.61	0.26	-48.91
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(O)C1	REAL300020146598	1	54	-1.0	-49.12	410.66	0.29	-48.83
CC1CC2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[N@@H+]2C1	REAL300020146599	0	49	0.0	-65.54	357.50	6.39	-59.15
CC1CC2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[N@H+]2C1	REAL300020146599	1	49	0.0	-69.43	357.19	6.40	-63.03
CC1CC2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[N@@H+]2C1	REAL300020146599	1	49	0.0	-65.56	357.56	6.41	-59.15
CC1CC2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[N@H+]2C1	REAL300020146599	1	49	0.0	-69.40	357.25	6.43	-62.97
O=C(C1=CN2C=CNC(=O)C2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146600	0	36	-1.0	-60.70	302.97	2.80	-57.90
O=C(C1=CN2C=CNC(=O)C2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146600	1	36	-1.0	-60.70	303.03	2.83	-57.87
O=C(C1=CSC2=CN=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146601	0	33	-1.0	-44.63	291.16	4.82	-39.81
O=C(C1=CSC2=CN=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146601	1	33	-1.0	-44.66	291.22	4.85	-39.81
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146602	0	49	0.0	-74.20	341.99	5.72	-68.48
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146602	1	49	0.0	-46.55	343.32	6.46	-40.09
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146602	1	49	0.0	-74.20	342.05	5.75	-68.45
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146602	1	49	0.0	-46.51	343.37	6.48	-40.03
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=NC=C2)CC2(CCC2)C1	REAL300020146603	0	49	-1.0	-47.58	370.86	6.66	-40.92
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=NC=C2)CC2(CCC2)C1	REAL300020146603	1	49	-1.0	-47.63	370.80	6.63	-41.00
CCOC(=O)NC1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146604	0	44	-1.0	-45.28	365.71	3.65	-41.63
CCOC(=O)NC1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146604	1	44	-1.0	-45.27	365.77	3.68	-41.59
CN1C=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2=O)C=N1	REAL300020146605	0	47	-1.0	-43.32	367.40	3.91	-39.41
CN1C=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2=O)C=N1	REAL300020146605	1	47	-1.0	-43.31	367.34	3.89	-39.42
CCOC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020146606	0	44	-1.0	-53.71	369.73	4.02	-49.69
CCOC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020146606	1	44	-1.0	-53.70	369.79	4.04	-49.66
COC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020146607	0	41	-1.0	-54.10	347.87	3.09	-51.01
COC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020146607	1	41	-1.0	-54.12	347.93	3.11	-51.01
CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020146608	0	40	-1.0	-48.62	338.04	3.89	-44.73
CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020146608	1	40	-1.0	-48.65	338.10	3.92	-44.73
O=C(CC1CC(=O)NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146609	0	44	-1.0	-49.56	348.52	4.43	-45.13
O=C(CC1CC(=O)NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146609	1	44	-1.0	-49.56	348.58	4.46	-45.10
COC(=O)NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020146610	0	41	-1.0	-53.35	339.54	2.69	-50.66
COC(=O)NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020146610	1	41	-1.0	-53.38	339.59	2.71	-50.67
COC(=O)C1CCCN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020146611	0	46	-1.0	-53.44	367.52	4.99	-48.45
COC(=O)C1CCCN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020146611	1	46	-1.0	-53.47	367.57	5.01	-48.46
CC1=C(Br)OC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146612	0	33	-1.0	-38.59	293.97	4.16	-34.43
CC1=C(Br)OC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146612	1	33	-1.0	-38.61	294.03	4.18	-34.43
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CN=C1F	REAL300020146613	0	36	-1.0	-48.59	304.88	2.19	-46.40
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CN=C1F	REAL300020146613	1	36	-1.0	-48.62	304.82	2.17	-46.45
COC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020146614	0	44	-1.0	-48.00	355.44	3.25	-44.75
COC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020146614	1	44	-1.0	-48.01	355.49	3.27	-44.74
O=C(C1=CC=C2C(=C1)NC(=O)N2CC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146615	0	47	-1.0	-42.25	381.46	5.80	-36.45
O=C(C1=CC=C2C(=C1)NC(=O)N2CC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146615	1	47	-1.0	-42.30	381.52	5.82	-36.48
CC1=C(Br)C=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146616	0	36	-1.0	-41.40	312.69	5.66	-35.74
CC1=C(Br)C=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146616	1	36	-1.0	-41.37	312.74	5.68	-35.69
CC1=CC(Cl)=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146617	0	35	-1.0	-42.38	303.20	4.55	-37.83
CC1=CC(Cl)=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146617	1	35	-1.0	-42.37	303.26	4.57	-37.80
CNC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146618	0	42	-1.0	-54.85	340.92	1.91	-52.94
CNC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146618	1	42	-1.0	-54.85	340.97	1.94	-52.91
CCOC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146619	0	44	-1.0	-43.91	374.35	4.08	-39.83
CCOC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146619	1	44	-1.0	-43.93	374.40	4.11	-39.82
CC1=NN(CC(F)F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146620	0	39	-1.0	-50.94	327.48	4.01	-46.93
CC1=NN(CC(F)F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146620	1	39	-1.0	-50.94	327.53	4.04	-46.90
CC(C)CN1C=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020146621	0	45	-1.0	-52.63	350.85	5.36	-47.27
CC(C)CN1C=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020146621	1	45	-1.0	-52.62	350.91	5.39	-47.23
O=C(C1=NC(Br)=C2C=CC=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146622	0	36	-1.0	-48.15	316.14	6.25	-41.90
O=C(C1=NC(Br)=C2C=CC=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146622	1	36	-1.0	-48.19	316.09	6.23	-41.96
O=C(CN1N=C(C(F)(F)F)C2=C1CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146623	0	44	-1.0	-55.23	370.25	3.70	-51.53
O=C(CN1N=C(C(F)(F)F)C2=C1CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146623	1	44	-1.0	-55.20	370.31	3.72	-51.48
CC1(C2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020146624	0	43	-1.0	-45.89	337.40	6.93	-38.96
CC1(C2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020146624	1	43	-1.0	-45.84	337.46	6.96	-38.88
CCC(C)(C)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146625	0	48	-1.0	-44.66	343.72	7.57	-37.09
CCC(C)(C)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146625	1	48	-1.0	-44.61	343.78	7.59	-37.02
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCSCC1	REAL300020146626	0	38	-1.0	-41.74	303.28	3.84	-37.90
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCSCC1	REAL300020146626	1	38	-1.0	-41.73	303.34	3.86	-37.87
CC(C)(C)CC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146627	0	48	-1.0	-46.66	348.87	7.33	-39.33
CC(C)(C)CC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146627	1	48	-1.0	-46.64	348.92	7.36	-39.28
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C3OCOC3=C2)CC1	REAL300020146628	0	43	-1.0	-53.22	346.03	5.02	-48.20
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C3OCOC3=C2)CC1	REAL300020146628	1	43	-1.0	-53.21	346.09	5.05	-48.16
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12C[C@H]1COC21CCC1	REAL300020146629	0	42	-1.0	-48.17	311.41	3.88	-44.29
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12C[C@H]1COC21CCC1	REAL300020146629	1	42	-1.0	-48.19	311.46	3.90	-44.29
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC2(CC1)OCCO2	REAL300020146630	0	48	-1.0	-37.57	343.57	3.62	-33.95
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC2(CC1)OCCO2	REAL300020146630	1	48	-1.0	-37.52	343.63	3.65	-33.87
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2N1	REAL300020146631	0	45	-1.0	-52.36	360.92	3.59	-48.77
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2N1	REAL300020146631	1	45	-1.0	-52.32	360.86	3.57	-48.75
CCC1CCC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(=O)N2)C1	REAL300020146632	0	49	-1.0	-57.57	381.17	5.20	-52.37
CCC1CCC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(=O)N2)C1	REAL300020146632	1	49	-1.0	-57.54	381.23	5.22	-52.32
CCS(=O)(=O)C1=CNC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146633	0	42	-1.0	-51.12	355.30	-0.18	-51.30
CCS(=O)(=O)C1=CNC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146633	1	42	-1.0	-51.07	355.36	-0.15	-51.22
O=C(C1=CC=C(Br)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146634	0	33	-1.0	-55.47	299.85	1.99	-53.48
O=C(C1=CC=C(Br)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146634	1	33	-1.0	-55.44	299.91	2.02	-53.42
O=C(C1=CC=C(C2CC2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146635	0	40	-1.0	-59.24	328.16	3.73	-55.51
O=C(C1=CC=C(C2CC2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146635	1	40	-1.0	-59.19	328.22	3.76	-55.43
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)S1	REAL300020146636	0	42	-1.0	-52.79	360.85	6.88	-45.91
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)S1	REAL300020146636	1	42	-1.0	-52.79	360.91	6.91	-45.88
CC1=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C(Br)C=C1	REAL300020146637	0	40	-1.0	-46.14	343.05	6.13	-40.01
CC1=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C(Br)C=C1	REAL300020146637	1	40	-1.0	-46.14	343.11	6.15	-39.99
CC(C)(C)C1=CC=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020146638	0	49	-1.0	-44.76	376.78	7.20	-37.56
CC(C)(C)C1=CC=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020146638	1	49	-1.0	-44.76	376.84	7.22	-37.54
CC1=CC=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1Br	REAL300020146639	0	40	-1.0	-46.85	339.81	6.04	-40.81
CC1=CC=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1Br	REAL300020146639	1	40	-1.0	-46.87	339.87	6.07	-40.80
O=C(CC1=CNC2=CN=C(Cl)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146640	0	39	-1.0	-53.20	338.19	4.17	-49.03
O=C(CC1=CNC2=CN=C(Cl)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146640	1	39	-1.0	-53.23	338.25	4.19	-49.04
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)OC2=C(F)C=C1	REAL300020146641	0	39	-1.0	-46.13	325.86	5.88	-40.25
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)OC2=C(F)C=C1	REAL300020146641	1	39	-1.0	-46.12	325.92	5.90	-40.22
CC(C)(C)OC(=O)NCCCSCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146642	0	56	-1.0	-49.03	448.90	5.17	-43.86
CC(C)(C)OC(=O)NCCCSCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146642	1	56	-1.0	-49.04	448.96	5.19	-43.85
CSCC[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020146643	0	56	-1.0	-52.47	439.09	5.27	-47.20
CSCC[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020146643	1	56	-1.0	-52.51	439.15	5.30	-47.21
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146644	0	56	-1.0	-39.86	420.21	4.62	-35.24
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146644	1	56	-1.0	-39.86	420.26	4.65	-35.21
C[C@@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCN1C(=O)OC(C)(C)C	REAL300020146645	0	56	-1.0	-50.54	413.12	6.01	-44.53
C[C@@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCN1C(=O)OC(C)(C)C	REAL300020146645	1	56	-1.0	-50.50	413.17	6.04	-44.46
O=C([C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146646	0	37	-1.0	-53.77	307.14	4.01	-49.76
O=C([C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146646	1	37	-1.0	-53.75	307.20	4.04	-49.71
CC1=C(C)N2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020146647	0	42	-1.0	-49.69	338.17	5.40	-44.29
CC1=C(C)N2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020146647	1	42	-1.0	-49.63	338.12	5.37	-44.26
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146648	0	40	-1.0	-48.37	325.59	4.42	-43.95
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146648	1	40	-1.0	-48.38	325.64	4.44	-43.94
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020146649	0	54	-1.0	-51.11	418.00	7.42	-43.69
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020146649	1	54	-1.0	-51.11	418.06	7.44	-43.67
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146650	0	56	-1.0	-54.51	424.84	6.13	-48.38
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146650	1	56	-1.0	-54.50	424.90	6.15	-48.35
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146651	0	56	-1.0	-49.36	416.24	5.36	-44.00
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146651	1	56	-1.0	-49.37	416.30	5.39	-43.98
CC(C)(C)C1=CC=C(CSCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146652	0	52	-1.0	-49.18	415.30	9.18	-40.00
CC(C)(C)C1=CC=C(CSCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146652	1	52	-1.0	-49.12	415.35	9.20	-39.92
O=C(C1=CC(C2=CC=CC=C2)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146653	0	42	-1.0	-41.80	339.41	6.93	-34.87
O=C(C1=CC(C2=CC=CC=C2)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146653	1	42	-1.0	-41.84	339.35	6.90	-34.94
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=NC=CC=C12	REAL300020146654	0	41	-1.0	-56.43	326.44	5.58	-50.85
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020146654	1	41	-1.0	-56.42	326.50	5.60	-50.82
O=C(C1=C2C=COC2=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146655	0	36	-1.0	-47.51	304.47	4.84	-42.67
O=C(C1=C2C=COC2=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146655	1	36	-1.0	-47.51	304.53	4.86	-42.65
C=CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020146656	0	46	-1.0	-44.95	331.13	6.24	-38.71
C=CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020146656	1	46	-1.0	-44.95	331.19	6.27	-38.68
O=C(C1=C2C=COC2=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146657	0	36	-1.0	-47.06	314.79	5.29	-41.77
O=C(C1=C2C=COC2=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146657	1	36	-1.0	-47.11	314.85	5.31	-41.80
CC(C)(C)OC(=O)N1C2CCC1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CC2	REAL300020146658	0	54	-1.0	-52.86	392.69	6.62	-46.24
CC(C)(C)OC(=O)N1C2CCC1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CC2	REAL300020146658	1	54	-1.0	-52.85	392.75	6.64	-46.21
O=C(C1=CC(Cl)=NC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146659	0	32	-1.0	-43.97	288.74	3.22	-40.75
O=C(C1=CC(Cl)=NC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146659	1	32	-1.0	-43.96	288.68	3.19	-40.77
O=C(C1=C(F)C=CC2=C1OCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146660	0	36	-1.0	-49.88	307.01	3.33	-46.55
O=C(C1=C(F)C=CC2=C1OCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146660	1	36	-1.0	-49.89	307.07	3.35	-46.54
COC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1C1=CC=CC=C1	REAL300020146661	0	46	-1.0	-42.91	367.81	6.64	-36.27
COC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1C1=CC=CC=C1	REAL300020146661	1	46	-1.0	-42.87	367.86	6.66	-36.21
CC1=CC(I)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146662	0	36	-1.0	-45.25	319.10	6.17	-39.08
CC1=CC(I)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146662	1	36	-1.0	-45.22	319.15	6.20	-39.02
O=C(C1=C2OC=CC2=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146663	0	36	-1.0	-48.19	304.94	4.88	-43.31
O=C(C1=C2OC=CC2=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146663	1	36	-1.0	-48.17	305.00	4.91	-43.26
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)OC2=CC=C1	REAL300020146664	0	39	-1.0	-41.90	319.12	5.68	-36.22
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)OC2=CC=C1	REAL300020146664	1	39	-1.0	-41.90	319.18	5.70	-36.20
CC(C)N1C=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146665	0	42	-1.0	-54.71	336.92	4.57	-50.14
CC(C)N1C=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146665	1	42	-1.0	-54.76	336.98	4.60	-50.16
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146666	0	39	-1.0	-47.13	336.85	6.08	-41.05
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146666	1	39	-1.0	-47.13	336.91	6.10	-41.03
CN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N(C(=O)OC(C)(C)C)CC1=O	REAL300020146667	0	54	-1.0	-53.39	409.31	4.09	-49.30
CN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N(C(=O)OC(C)(C)C)CC1=O	REAL300020146667	1	54	-1.0	-53.38	409.37	4.11	-49.27
COC1=CC=C(C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NN2C)C=C1OC	REAL300020146668	0	51	-1.0	-50.39	404.48	5.27	-45.12
COC1=CC=C(C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NN2C)C=C1OC	REAL300020146668	1	51	-1.0	-50.39	404.42	5.24	-45.15
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146669	0	52	0.0	-75.46	392.22	8.00	-67.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146669	1	52	0.0	-75.02	391.07	8.01	-67.01
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146669	1	52	0.0	-75.44	392.27	8.03	-67.41
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146669	1	52	0.0	-75.04	391.12	8.03	-67.01
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020146670	0	54	-1.0	-58.26	417.34	7.27	-50.99
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020146670	1	54	-1.0	-58.30	417.40	7.29	-51.01
COCCCOC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020146671	0	50	-1.0	-49.14	393.98	5.22	-43.92
COCCCOC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020146671	1	50	-1.0	-49.18	394.04	5.25	-43.93
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146672	0	56	-1.0	-54.12	426.10	5.75	-48.37
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146672	1	56	-1.0	-54.14	426.15	5.78	-48.36
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146673	0	55	-1.0	-46.99	409.24	4.45	-42.54
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146673	1	55	-1.0	-46.99	409.30	4.48	-42.51
CN1N=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146674	0	50	-1.0	-42.62	390.22	3.15	-39.47
CN1N=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146674	1	50	-1.0	-42.60	390.27	3.18	-39.42
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020146675	0	43	-1.0	-45.11	350.23	5.92	-39.19
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020146675	1	43	-1.0	-45.05	350.29	5.94	-39.11
CC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(C3=CC=CO3)N=C2C=C1	REAL300020146676	0	48	-1.0	-47.16	392.84	7.26	-39.90
CC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(C3=CC=CO3)N=C2C=C1	REAL300020146676	1	48	-1.0	-47.13	392.78	7.24	-39.89
CCC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146677	0	58	-1.0	-43.28	425.14	5.19	-38.09
CCC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146677	1	58	-1.0	-43.27	425.20	5.21	-38.06
CC(C)(C)OC(=O)NC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020146678	0	58	-1.0	-52.88	426.50	5.34	-47.54
CC(C)(C)OC(=O)NC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020146678	1	58	-1.0	-52.85	426.56	5.37	-47.48
CC1=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020146679	0	36	-1.0	-46.78	308.27	3.73	-43.05
CC1=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020146679	1	36	-1.0	-46.73	308.33	3.76	-42.97
O=C(C=CC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146680	0	37	-1.0	-37.14	320.22	6.45	-30.69
O=C(C=CC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146680	1	37	-1.0	-37.15	320.28	6.48	-30.67
CCOC1=CC2=C(C=C1C=CC(=O)N1CCCC(C3=N[N-]N=N3)C1)OC(C)C2	REAL300020146681	0	52	-1.0	-50.26	410.69	6.81	-43.45
CCOC1=CC2=C(C=C1C=CC(=O)N1CCCC(C3=NN=N[N-]3)C1)OC(C)C2	REAL300020146681	1	52	-1.0	-50.28	410.75	6.83	-43.45
CC(C)(C)C1=NC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146682	0	45	-1.0	-39.50	369.95	5.70	-33.80
CC(C)(C)C1=NC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146682	1	45	-1.0	-39.51	370.00	5.73	-33.78
O=C(C=CC1=CC=C(C2=CC=C(F)C=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146683	0	44	-1.0	-41.05	378.13	8.78	-32.27
O=C(C=CC1=CC=C(C2=CC=C(F)C=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146683	1	44	-1.0	-41.05	378.18	8.81	-32.24
CS(=O)(=O)NC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146684	0	45	-1.0	-43.36	376.71	2.65	-40.71
CS(=O)(=O)NC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146684	1	45	-1.0	-43.38	376.77	2.67	-40.71
O=C(C=CC1=CN=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146685	0	36	-1.0	-37.84	304.80	4.23	-33.61
O=C(C=CC1=CN=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146685	1	36	-1.0	-37.84	304.86	4.25	-33.59
CCC(C)OC1=CC=CC=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146686	0	50	-1.0	-50.96	393.34	7.70	-43.26
CCC(C)OC1=CC=CC=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146686	1	50	-1.0	-50.94	393.39	7.73	-43.21
O=C(C=CC1=NC2=CC(Cl)=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146687	0	42	-1.0	-47.20	363.97	7.06	-40.14
O=C(C=CC1=NC2=CC(Cl)=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146687	1	42	-1.0	-47.20	364.03	7.08	-40.12
O=C(C=CC1=CC=CC(OC2CCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146688	0	51	-1.0	-37.96	398.13	8.15	-29.81
O=C(C=CC1=CC=CC(OC2CCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146688	1	51	-1.0	-37.98	398.19	8.18	-29.80
O=C(C1=CNC=C1CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146689	0	44	-1.0	-52.47	353.34	6.80	-45.67
O=C(C1=CNC=C1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146689	1	44	-1.0	-52.48	353.39	6.83	-45.65
O=C(C1=CN2N=CC(Br)=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146690	0	36	-1.0	-38.12	320.19	4.90	-33.22
O=C(C1=CN2N=CC(Br)=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146690	1	36	-1.0	-38.08	320.13	4.87	-33.21
CCC1=CC=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146691	0	39	-1.0	-43.17	328.30	6.39	-36.78
CCC1=CC=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146691	1	39	-1.0	-43.13	328.36	6.41	-36.72
COC1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146692	0	37	-1.0	-44.37	321.34	4.36	-40.01
COC1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146692	1	37	-1.0	-44.38	321.40	4.38	-40.00
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146693	0	53	0.0	-63.04	411.65	7.62	-55.42
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146693	1	53	0.0	-63.04	411.71	7.65	-55.39
O=C(CC1=NN(CC(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146694	0	39	-1.0	-56.69	336.09	4.56	-52.13
O=C(CC1=NN(CC(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146694	1	39	-1.0	-56.69	336.14	4.59	-52.10
O=C(C1=C2C(Br)=CC=CN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146695	0	36	-1.0	-50.85	315.17	4.81	-46.04
O=C(C1=C2C(Br)=CC=CN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146695	1	36	-1.0	-50.87	315.11	4.79	-46.08
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=CC(Br)=CN=C21	REAL300020146696	0	39	-1.0	-44.60	336.93	5.76	-38.84
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=CC(Br)=CN=C21	REAL300020146696	1	39	-1.0	-44.57	336.87	5.74	-38.83
NC1=C(Br)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020146697	0	37	-1.0	-45.65	326.04	3.80	-41.85
NC1=C(Br)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020146697	1	37	-1.0	-45.66	326.10	3.83	-41.83
CC(C)CN1[N-]C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020146698	0	45	-2.0	-101.02	365.58	4.04	-96.98
CC(C)CN1[N-]C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020146698	1	45	-2.0	-101.00	365.64	4.07	-96.93
CC(C)CN1NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020146698	1	46	-1.0	-58.13	369.69	4.18	-53.95
CN1C=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020146699	0	36	-1.0	-48.68	319.24	3.89	-44.79
CN1C=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020146699	1	36	-1.0	-48.70	319.30	3.91	-44.79
CC1=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)C=CO1	REAL300020146700	0	39	-1.0	-56.37	325.88	4.69	-51.68
CC1=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)C=CO1	REAL300020146700	1	39	-1.0	-56.37	325.94	4.72	-51.65
CC(C)C1=NC=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146701	0	40	-1.0	-42.72	347.71	4.29	-38.43
CC(C)C1=NC=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146701	1	40	-1.0	-42.71	347.77	4.32	-38.39
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146702	0	41	-1.0	-49.09	341.96	6.72	-42.37
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146702	1	41	-1.0	-49.12	342.02	6.74	-42.38
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146703	0	41	-1.0	-51.90	352.64	7.19	-44.71
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146703	1	41	-1.0	-51.88	352.69	7.21	-44.67
O=C(C1=NC(C2CC2)=NC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146704	0	38	-1.0	-38.91	331.17	5.37	-33.54
O=C(C1=NC(C2CC2)=NC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146704	1	38	-1.0	-38.89	331.22	5.39	-33.50
O=C(CN1N=C(C(F)F)C=C1C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146705	0	39	-1.0	-54.76	343.37	4.36	-50.40
O=C(CN1N=C(C(F)F)C=C1C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146705	1	39	-1.0	-54.76	343.43	4.39	-50.37
CC(C)(C)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020146706	0	47	-1.0	-44.13	349.49	5.22	-38.91
CC(C)(C)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020146706	1	47	-1.0	-44.15	349.55	5.25	-38.90
O=C([C@H]1CC[C@@H](NC2=CC=CC=N2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146707	0	50	-1.0	-39.03	377.59	6.06	-32.97
O=C([C@H]1CC[C@@H](NC2=CC=CC=N2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146707	1	50	-1.0	-39.03	377.64	6.08	-32.95
O=C(C1=CC=C(C(F)(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146708	0	33	-1.0	-39.82	292.22	3.87	-35.95
O=C(C1=CC=C(C(F)(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146708	1	33	-1.0	-39.81	292.27	3.89	-35.92
CN(CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=NC=C1	REAL300020146709	0	48	-1.0	-57.15	382.01	4.69	-52.46
CN(CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=NC=C1	REAL300020146709	1	48	-1.0	-57.15	381.96	4.66	-52.49
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146710	0	46	-1.0	-39.41	360.11	8.32	-31.09
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146710	1	46	-1.0	-39.40	360.16	8.35	-31.05
CCC1=NOC(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146711	0	41	-1.0	-56.94	342.20	2.05	-54.89
CCC1=NOC(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146711	1	41	-1.0	-56.89	342.26	2.08	-54.81
O=C(CC1CCC(C(F)(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146712	0	40	-1.0	-54.61	330.20	4.63	-49.98
O=C(CC1CCC(C(F)(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146712	1	40	-1.0	-54.56	330.26	4.66	-49.90
COC1=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(C)N=C2C=C1	REAL300020146713	0	45	-1.0	-45.46	359.68	4.75	-40.71
COC1=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(C)N=C2C=C1	REAL300020146713	1	45	-1.0	-45.46	359.74	4.78	-40.68
CC1=CC=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146714	0	35	-1.0	-46.92	305.59	4.50	-42.42
CC1=CC=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146714	1	35	-1.0	-46.90	305.64	4.52	-42.38
O=C(C1=CC=C(OC(F)F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146715	0	37	-1.0	-52.03	315.16	4.08	-47.95
O=C(C1=CC=C(OC(F)F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146715	1	37	-1.0	-52.08	315.22	4.11	-47.97
O=C(C1=CN=NN1C1=CC=CC(Cl)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146716	0	39	-1.0	-43.18	348.84	5.23	-37.95
O=C(C1=CN=NN1C1=CC=CC(Cl)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146716	1	39	-1.0	-43.20	348.78	5.20	-38.00
O=C(CN1CC2=C(C=NN2C2=CC=CC=C2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146717	0	48	-1.0	-60.29	398.36	6.31	-53.98
O=C(CN1CC2=C(C=NN2C2=CC=CC=C2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146717	1	48	-1.0	-60.29	398.42	6.33	-53.96
CC1=CC2=CC=C(C)C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020146718	0	45	-1.0	-48.09	359.65	7.93	-40.16
CC1=CC2=CC=C(C)C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020146718	1	45	-1.0	-48.10	359.71	7.95	-40.15
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC(F)(F)F)=C1	REAL300020146719	0	40	-1.0	-38.72	337.41	5.14	-33.58
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC(F)(F)F)=C1	REAL300020146719	1	40	-1.0	-38.70	337.47	5.17	-33.53
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146720	0	48	-1.0	-50.96	386.85	5.39	-45.57
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146720	1	48	-1.0	-50.91	386.79	5.37	-45.54
CC1=NN(C)C=C1C1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146721	0	44	-1.0	-61.47	357.46	4.48	-56.99
CC1=NN(C)C=C1C1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146721	1	44	-1.0	-61.45	357.52	4.50	-56.95
O=C(C1=CC=NC(C2=CC=CO2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146722	0	39	-1.0	-49.18	326.51	4.45	-44.73
O=C(C1=CC=NC(C2=CC=CO2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146722	1	39	-1.0	-49.21	326.45	4.43	-44.78
O=C(CN1N=C(C(F)(F)F)C2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146723	0	46	-1.0	-53.61	378.50	6.05	-47.56
O=C(CN1N=C(C(F)(F)F)C2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146723	1	46	-1.0	-53.62	378.55	6.08	-47.54
O=C(C1=CC=NC(C2=CC=CC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146724	0	40	-1.0	-47.31	334.71	4.70	-42.61
O=C(C1=CC=NC(C2=CC=CC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146724	1	40	-1.0	-47.31	334.76	4.72	-42.59
CN1C(=O)CCC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020146725	0	44	-1.0	-51.47	345.76	5.29	-46.18
CN1C(=O)CCC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020146725	1	44	-1.0	-51.46	345.82	5.32	-46.14
O=C(C=CCl)NCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146726	0	37	-1.0	-54.08	324.52	1.93	-52.15
O=C(C=CCl)NCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146726	1	37	-1.0	-54.09	324.57	1.96	-52.13
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020146727	0	35	-1.0	-44.38	305.13	3.78	-40.60
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN=C1Br	REAL300020146727	1	35	-1.0	-44.38	305.07	3.76	-40.62
CC1=CC=C2CC(C)(C(=O)N3CCCC(C4=N[N-]N=N4)C3)OC(=O)C2=C1	REAL300020146728	0	46	-1.0	-43.67	359.74	6.68	-36.99
CC1=CC=C2CC(C)(C(=O)N3CCCC(C4=NN=N[N-]4)C3)OC(=O)C2=C1	REAL300020146728	1	46	-1.0	-43.70	359.80	6.70	-37.00
O=C(C1=CC(Br)=CN=C1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146729	0	39	-1.0	-42.39	336.29	5.62	-36.77
O=C(C1=CC(Br)=CN=C1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146729	1	39	-1.0	-42.41	336.35	5.64	-36.77
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(N2C=C(Br)C=N2)CC1	REAL300020146730	0	37	-1.0	-40.76	326.84	4.46	-36.30
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(N2C=C(Br)C=N2)CC1	REAL300020146730	1	37	-1.0	-40.76	326.78	4.43	-36.33
O=C(C1=CC(=O)NC2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146731	0	43	-1.0	-49.13	339.75	3.78	-45.35
O=C(C1=CC(=O)NC2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146731	1	43	-1.0	-49.13	339.81	3.81	-45.32
O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146732	0	50	-1.0	-52.35	376.72	2.13	-50.22
O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146732	1	50	-1.0	-52.39	376.78	2.16	-50.23
O=C(C1=CC=CC(NC2=NC=CS2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146733	0	41	-1.0	-41.04	343.48	4.83	-36.21
O=C(C1=CC=CC(NC2=NC=CS2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146733	1	41	-1.0	-41.05	343.42	4.80	-36.25
CCCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(=O)N1	REAL300020146734	0	42	-1.0	-48.02	343.55	3.60	-44.42
CCCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(=O)N1	REAL300020146734	1	42	-1.0	-48.02	343.61	3.63	-44.39
O=C(C1=CNC(=O)C(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146735	0	36	-1.0	-50.02	316.20	2.56	-47.46
O=C(C1=CNC(=O)C(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146735	1	36	-1.0	-50.01	316.26	2.58	-47.43
CCSC1=CNC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146736	0	40	-1.0	-57.40	340.05	3.34	-54.06
CCSC1=CNC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146736	1	40	-1.0	-57.38	340.11	3.36	-54.02
O=C(C1=C2NC(C(F)F)=NC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146737	0	39	-1.0	-48.61	331.86	4.18	-44.43
O=C(C1=C2NC(C(F)F)=NC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146737	1	39	-1.0	-48.62	331.91	4.20	-44.42
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCOC1CCCC2	REAL300020146738	0	44	-1.0	-49.86	313.14	3.55	-46.31
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCOC1CCCC2	REAL300020146738	1	44	-1.0	-49.88	313.20	3.58	-46.30
O=C(C1=CC2=CC=CC=C2OC1C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146739	0	42	-1.0	-47.28	348.36	5.87	-41.41
O=C(C1=CC2=CC=CC=C2OC1C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146739	1	42	-1.0	-47.32	348.42	5.89	-41.43
O=C(CC1=CC=CC(C(F)(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146740	0	38	-1.0	-56.90	327.89	4.85	-52.05
O=C(CC1=CC=CC(C(F)(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146740	1	38	-1.0	-56.88	327.95	4.88	-52.00
CCOC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146741	0	42	-1.0	-53.65	342.16	3.36	-50.29
CCOC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146741	1	42	-1.0	-53.62	342.21	3.39	-50.23
C[NH+]1CCC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020146742	0	46	0.0	-75.37	350.22	5.31	-70.06
C[NH+]1CCC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020146742	1	46	0.0	-75.35	350.28	5.34	-70.01
O=C(C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146743	0	44	-1.0	-44.26	371.74	7.46	-36.80
O=C(C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146743	1	44	-1.0	-44.24	371.80	7.48	-36.76
O=C(C1=CC(=O)NC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146744	0	33	-1.0	-48.77	299.05	2.02	-46.75
O=C(C1=CC(=O)NC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146744	1	33	-1.0	-48.75	299.10	2.04	-46.71
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=NN1	REAL300020146745	0	33	-1.0	-46.13	297.60	2.16	-43.97
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=NN1	REAL300020146745	1	33	-1.0	-46.12	297.65	2.19	-43.93
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146746	0	41	-1.0	-55.67	341.86	1.16	-54.51
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146746	1	41	-1.0	-55.65	341.80	1.13	-54.52
CC1=CC(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN=C1Cl	REAL300020146747	0	38	-1.0	-40.87	332.60	4.66	-36.21
CC1=CC(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN=C1Cl	REAL300020146747	1	38	-1.0	-40.85	332.54	4.64	-36.21
CC1=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CNC2=N1	REAL300020146748	0	38	-1.0	-61.86	317.15	3.34	-58.52
CC1=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CNC2=N1	REAL300020146748	1	38	-1.0	-61.85	317.21	3.36	-58.49
CC(C)C1CCC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(=O)N2)C1	REAL300020146749	0	52	-1.0	-57.44	397.78	5.67	-51.77
CC(C)C1CCC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(=O)N2)C1	REAL300020146749	1	52	-1.0	-57.43	397.84	5.69	-51.74
CC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=NC=CC=C12	REAL300020146750	0	41	-1.0	-56.29	340.25	4.78	-51.51
CC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020146750	1	41	-1.0	-56.28	340.31	4.81	-51.47
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146751	0	42	-1.0	-54.49	364.42	4.66	-49.83
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146751	1	42	-1.0	-54.44	364.48	4.69	-49.75
CCCOC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1C	REAL300020146752	0	49	-1.0	-48.25	386.01	7.15	-41.10
CCCOC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1C	REAL300020146752	1	49	-1.0	-48.22	386.06	7.18	-41.04
O=C(C1=CC=C(CN2CCCCC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146753	0	48	-1.0	-44.15	369.97	4.43	-39.72
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146753	1	49	0.0	-50.76	372.57	6.79	-43.97
O=C(C1=CC=C(CN2CCCCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146753	1	48	-1.0	-44.16	370.03	4.46	-39.70
C[C@H](NC(=O)CN1C=NN=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146754	0	41	-1.0	-54.55	340.58	1.09	-53.46
C[C@H](NC(=O)CN1C=NN=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146754	1	41	-1.0	-54.58	340.53	1.07	-53.51
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146755	0	48	-1.0	-47.97	373.36	7.18	-40.79
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146755	1	48	-1.0	-48.00	373.41	7.20	-40.80
O=C(C1=CC=C(CC2CC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146756	0	40	-1.0	-44.30	335.13	6.57	-37.73
O=C(C1=CC=C(CC2CC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146756	1	40	-1.0	-44.31	335.18	6.60	-37.71
COC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020146757	0	44	-1.0	-51.08	353.67	4.04	-47.04
COC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020146757	1	44	-1.0	-51.11	353.73	4.07	-47.04
O=C(C1=CC=CC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146758	0	42	-1.0	-47.15	340.22	7.06	-40.09
O=C(C1=CC=CC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146758	1	42	-1.0	-47.13	340.17	7.03	-40.10
O=C(C1=CC2=C(Br)C=C(F)C=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146759	0	37	-1.0	-43.66	328.27	5.56	-38.10
O=C(C1=CC2=C(Br)C=C(F)C=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146759	1	37	-1.0	-43.69	328.32	5.59	-38.10
O=C(CCCCCCCCC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146760	0	54	-1.0	-46.27	416.76	9.47	-36.80
O=C(CCCCCCCCC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146760	1	54	-1.0	-46.29	416.82	9.50	-36.79
CC12CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CC1)CO2	REAL300020146761	0	44	-1.0	-44.54	319.02	3.61	-40.93
CC12CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CC1)CO2	REAL300020146761	1	44	-1.0	-44.55	319.08	3.64	-40.91
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SN=N1	REAL300020146762	0	37	-1.0	-41.09	311.53	2.97	-38.12
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SN=N1	REAL300020146762	1	37	-1.0	-41.12	311.59	2.99	-38.13
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020146763	0	39	-2.0	-85.82	333.19	3.99	-81.83
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020146763	1	39	-2.0	-85.83	333.24	4.02	-81.81
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146764	0	33	-2.0	-103.38	299.90	3.21	-100.17
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146764	1	33	-2.0	-103.38	299.96	3.23	-100.15
CN1N=CC2=C1C=C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C(=O)N2	REAL300020146765	0	39	-1.0	-54.85	328.67	1.32	-53.53
CN1N=CC2=C1C=C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C(=O)N2	REAL300020146765	1	39	-1.0	-54.84	328.73	1.35	-53.49
O=C(C1CCCC2=C1NN=C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146766	0	40	-1.0	-49.35	314.07	3.38	-45.97
O=C(C1CCCC2=C1NN=C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146766	1	40	-1.0	-49.35	314.13	3.41	-45.94
COC1=C2C=CSC2=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146767	0	40	-1.0	-49.92	333.15	5.04	-44.88
COC1=C2C=CSC2=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146767	1	40	-1.0	-49.93	333.21	5.07	-44.86
CC1(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020146768	0	43	-1.0	-46.56	337.02	6.93	-39.63
CC1(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020146768	1	43	-1.0	-46.57	337.07	6.95	-39.62
CC1CCN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)C1	REAL300020146769	0	48	-1.0	-45.95	363.00	5.36	-40.59
CC1CCN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)C1	REAL300020146769	1	48	-1.0	-45.97	363.05	5.38	-40.59
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC(F)=CC(F)=C1	REAL300020146770	0	39	-1.0	-46.59	323.93	5.99	-40.60
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC(F)=CC(F)=C1	REAL300020146770	1	39	-1.0	-46.58	323.99	6.01	-40.57
O=C(C1=CC=C2C(=C1)CCS2(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146771	0	40	-1.0	-53.02	334.38	2.30	-50.72
O=C(C1=CC=C2C(=C1)CCS2(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146771	1	40	-1.0	-53.01	334.44	2.32	-50.69
O=C(C1=CC2=CC=C(Cl)C=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146772	0	36	-1.0	-38.86	324.10	6.36	-32.50
O=C(C1=CC2=CC=C(Cl)C=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146772	1	36	-1.0	-38.87	324.15	6.38	-32.49
O=C(C1=NOC(C2CCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146773	0	39	-1.0	-42.72	314.11	5.15	-37.57
O=C(C1=NOC(C2CCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146773	1	39	-1.0	-42.74	314.16	5.18	-37.56
O=C(C1=NOC=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146774	0	39	-1.0	-46.89	323.45	6.05	-40.84
O=C(C1=NOC=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146774	1	39	-1.0	-46.94	323.39	6.02	-40.92
CC(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020146775	0	45	-1.0	-48.20	373.17	8.01	-40.19
CC(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020146775	1	45	-1.0	-48.18	373.23	8.04	-40.14
O=C(COCC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146776	0	43	-1.0	-51.64	367.91	6.87	-44.77
O=C(COCC1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146776	1	43	-1.0	-51.66	367.97	6.89	-44.77
CC1(C)CC2(CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2)C1	REAL300020146777	0	46	-1.0	-45.78	347.17	6.57	-39.21
CC1(C)CC2(CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2)C1	REAL300020146777	1	46	-1.0	-45.75	347.23	6.59	-39.16
COC1=CC=CC(N2C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020146778	0	44	-1.0	-49.90	357.90	5.49	-44.41
COC1=CC=CC(N2C=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020146778	1	44	-1.0	-49.90	357.84	5.47	-44.43
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC(F)=CC(F)=C1	REAL300020146779	0	40	-1.0	-48.03	333.50	5.41	-42.62
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC(F)=CC(F)=C1	REAL300020146779	1	40	-1.0	-48.01	333.55	5.43	-42.58
C[C@@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C)(C)C1	REAL300020146780	0	48	-1.0	-45.73	350.34	6.35	-39.38
C[C@@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C)(C)C1	REAL300020146780	1	48	-1.0	-45.75	350.40	6.38	-39.37
CC1=C(Br)SC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146781	0	32	-1.0	-37.26	296.92	2.73	-34.53
CC1=C(Br)SC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146781	1	32	-1.0	-37.27	296.98	2.76	-34.51
CC(C)(C)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1	REAL300020146782	0	41	-1.0	-49.46	327.43	3.67	-45.79
CC(C)(C)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1	REAL300020146782	1	41	-1.0	-49.45	327.49	3.69	-45.76
COC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=CC(Cl)=C1	REAL300020146783	0	41	-1.0	-45.36	347.14	4.71	-40.65
COC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=CC(Cl)=C1	REAL300020146783	1	41	-1.0	-45.33	347.20	4.73	-40.60
O=C(C1=CC=C(C2=CC=CC=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146784	0	42	-1.0	-42.30	339.23	6.89	-35.41
O=C(C1=CC=C(C2=CC=CC=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146784	1	42	-1.0	-42.30	339.17	6.86	-35.44
O=C(C1=CN(CC2CCCO2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146785	0	43	-1.0	-47.14	346.62	2.46	-44.68
O=C(C1=CN(CC2CCCO2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146785	1	43	-1.0	-47.14	346.57	2.44	-44.70
O=C(C1=NN2C=CC(C(F)(F)F)=NC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146786	0	37	-1.0	-51.93	328.32	6.55	-45.38
O=C(C1=NN2C=CC(C(F)(F)F)=NC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146786	1	37	-1.0	-51.92	328.26	6.52	-45.40
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=N1	REAL300020146787	0	40	-1.0	-48.69	328.50	0.68	-48.01
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=N1	REAL300020146787	1	40	-1.0	-48.73	328.44	0.66	-48.07
CC1(C)C2CCC(C2)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146788	0	46	-1.0	-44.76	321.68	6.02	-38.74
CC1(C)C2CCC(C2)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146788	1	46	-1.0	-44.80	321.74	6.05	-38.75
NC(=O)C1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146789	0	40	-1.0	-55.27	329.22	2.21	-53.06
NC(=O)C1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146789	1	40	-1.0	-55.26	329.28	2.23	-53.03
CCC(=O)NC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146790	0	42	-1.0	-55.35	339.10	2.23	-53.12
CCC(=O)NC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146790	1	42	-1.0	-55.36	339.05	2.20	-53.16
CCC[C@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020146791	0	55	-1.0	-53.42	415.86	4.79	-48.63
CCC[C@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020146791	1	55	-1.0	-53.47	415.92	4.81	-48.66
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146792	0	53	-1.0	-47.01	401.50	5.63	-41.38
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146792	1	53	-1.0	-46.99	401.56	5.65	-41.34
CCC[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020146793	0	55	-1.0	-53.64	415.86	4.79	-48.85
CCC[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020146793	1	55	-1.0	-53.63	415.92	4.81	-48.82
CC(C)(C)OC(=O)NC1CC2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC21	REAL300020146794	0	57	-1.0	-53.93	423.30	5.07	-48.86
CC(C)(C)OC(=O)NC1CC2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC21	REAL300020146794	1	57	-1.0	-53.94	423.36	5.10	-48.84
NC1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020146795	0	35	-1.0	-39.55	303.21	2.91	-36.64
NC1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020146795	1	35	-1.0	-39.56	303.26	2.93	-36.63
CCC(C)C(C)NC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020146796	0	52	-1.0	-51.73	411.74	6.10	-45.63
CCC(C)C(C)NC1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020146796	1	52	-1.0	-51.73	411.80	6.12	-45.61
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146797	0	43	-1.0	-51.35	354.18	3.18	-48.17
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146797	1	43	-1.0	-51.37	354.24	3.21	-48.16
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146798	0	56	-1.0	-50.21	410.30	6.64	-43.57
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146798	1	56	-1.0	-50.19	410.36	6.67	-43.52
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H]2C[C@H]21	REAL300020146799	0	54	-1.0	-41.84	413.69	4.83	-37.01
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H]2C[C@H]21	REAL300020146799	1	54	-1.0	-41.85	413.74	4.85	-37.00
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020146800	0	56	-1.0	-55.41	402.39	6.67	-48.74
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020146800	1	56	-1.0	-55.42	402.45	6.70	-48.72
CC(C)(C)OC(=O)N1CCC2CCC21C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146801	0	54	-1.0	-55.83	392.45	6.34	-49.49
CC(C)(C)OC(=O)N1CCC2CCC21C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146801	1	54	-1.0	-55.86	392.50	6.36	-49.50
CCOC(=O)C1CC12CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020146802	0	46	-1.0	-46.05	366.66	6.61	-39.44
CCOC(=O)C1CC12CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020146802	1	46	-1.0	-46.03	366.72	6.64	-39.39
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(NC(=O)OC(C)(C)C)=N1	REAL300020146803	0	50	-1.0	-52.96	396.44	3.73	-49.23
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(NC(=O)OC(C)(C)C)=N1	REAL300020146803	1	50	-1.0	-52.96	396.50	3.76	-49.20
CC(C)(C)OC(=O)N1CC2CCC1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020146804	0	54	-1.0	-53.87	389.52	6.42	-47.45
CC(C)(C)OC(=O)N1CC2CCC1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020146804	1	54	-1.0	-53.80	389.58	6.45	-47.35
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146805	0	33	-2.0	-83.69	293.94	2.89	-80.80
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146805	1	33	-2.0	-83.71	294.00	2.92	-80.79
O=C(C1=CC=C(Cl)C(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146805	1	34	-1.0	-45.39	297.51	2.15	-43.24
O=C(C1=CC=C(Cl)C(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146805	1	34	-1.0	-45.40	297.56	2.17	-43.23
COC(=O)C1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL300020146806	0	43	-1.0	-48.21	357.79	4.54	-43.67
COC(=O)C1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL300020146806	1	43	-1.0	-48.25	357.85	4.56	-43.69
O=C(OCC1=CC=CC=C1)N1C(=O)CCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146807	0	50	-1.0	-63.32	405.54	7.78	-55.54
O=C(OCC1=CC=CC=C1)N1C(=O)CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146807	1	50	-1.0	-63.33	405.60	7.80	-55.53
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300020146808	0	35	-1.0	-37.99	313.78	4.07	-33.92
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300020146808	1	35	-1.0	-38.03	313.72	4.05	-33.98
CC#CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146809	0	51	-1.0	-41.11	398.40	4.13	-36.98
CC#CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146809	1	51	-1.0	-41.14	398.46	4.15	-36.99
CC(C)(C)OC(=O)N1CC(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146810	0	56	-1.0	-53.57	432.99	6.28	-47.29
CC(C)(C)OC(=O)N1CC(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146810	1	56	-1.0	-53.53	433.05	6.31	-47.22
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020146811	0	51	-1.0	-53.40	375.50	5.33	-48.07
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020146811	1	51	-1.0	-53.42	375.56	5.36	-48.06
CCOC1(OCC)CC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146812	0	50	-1.0	-45.78	376.32	4.80	-40.98
CCOC1(OCC)CC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146812	1	50	-1.0	-45.81	376.37	4.82	-40.99
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(Cl)=C1Cl	REAL300020146813	0	34	-1.0	-36.06	326.06	3.95	-32.11
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(Cl)=C1Cl	REAL300020146813	1	34	-1.0	-36.12	326.12	3.98	-32.14
COCC1CCN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)C1	REAL300020146814	0	52	-1.0	-45.53	401.26	4.58	-40.95
COCC1CCN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)C1	REAL300020146814	1	52	-1.0	-45.52	401.32	4.60	-40.92
CC(C)(C)OC(=O)N1CCCC2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2C1	REAL300020146815	0	57	-1.0	-57.59	421.68	6.77	-50.82
CC(C)(C)OC(=O)N1CCCC2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2C1	REAL300020146815	1	57	-1.0	-57.59	421.73	6.80	-50.79
O=C(CC(C(F)F)N1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146816	0	39	-1.0	-44.49	320.83	4.04	-40.45
O=C(CC(C(F)F)N1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146816	1	39	-1.0	-44.45	320.78	4.01	-40.44
NC1=NC2=C(N=CN2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020146817	0	40	-1.0	-64.05	337.02	3.58	-60.47
NC1=NC2=C(N=CN2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020146817	1	40	-1.0	-64.02	337.08	3.61	-60.41
CC(C)[C@H](NC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146818	0	47	-1.0	-44.95	353.66	5.64	-39.31
CC(C)[C@H](NC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146818	1	47	-1.0	-44.98	353.72	5.67	-39.31
O=C(C1=CC(NCC2=CC=CC=C2)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146819	0	47	-1.0	-41.74	381.37	6.08	-35.66
O=C(C1=CC(NCC2=CC=CC=C2)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146819	1	47	-1.0	-41.71	381.43	6.11	-35.60
C=CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146820	0	53	-1.0	-38.71	405.91	4.06	-34.65
C=CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146820	1	53	-1.0	-38.75	405.97	4.09	-34.66
CCCC[C@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020146821	0	58	-1.0	-53.35	437.39	5.58	-47.77
CCCC[C@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020146821	1	58	-1.0	-53.39	437.45	5.61	-47.78
COC1=CC=CC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146822	0	40	-1.0	-49.33	323.04	4.50	-44.83
COC1=CC=CC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146822	1	40	-1.0	-49.34	323.10	4.52	-44.82
CC(C)C1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146823	0	42	-1.0	-44.23	344.02	6.78	-37.45
CC(C)C1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146823	1	42	-1.0	-44.23	344.08	6.80	-37.43
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CS2)CC1	REAL300020146824	0	37	-1.0	-44.48	312.27	5.55	-38.93
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CS2)CC1	REAL300020146824	1	37	-1.0	-44.46	312.32	5.58	-38.88
CCC(C)(COCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146825	0	52	-1.0	-37.11	393.00	6.77	-30.34
CCC(C)(COCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146825	1	52	-1.0	-37.12	393.06	6.79	-30.33
N#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020146826	0	34	-1.0	-49.55	296.78	4.88	-44.67
N#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020146826	1	34	-1.0	-49.63	296.84	4.91	-44.72
CC1CN2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C(=O)N1	REAL300020146827	0	41	-1.0	-43.37	332.71	1.12	-42.25
CC1CN2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C(=O)N1	REAL300020146827	1	41	-1.0	-43.33	332.66	1.09	-42.24
NC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020146828	0	36	-1.0	-52.36	302.35	-0.46	-52.82
NC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020146828	1	36	-1.0	-52.32	302.30	-0.49	-52.81
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146829	0	50	-1.0	-40.70	407.58	3.97	-36.73
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146829	1	50	-1.0	-40.66	407.64	3.99	-36.67
CCCC[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020146830	0	58	-1.0	-53.58	437.35	5.57	-48.01
CCCC[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020146830	1	58	-1.0	-53.59	437.41	5.59	-48.00
O=C(C(CCC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146831	0	52	-1.0	-47.86	408.00	10.05	-37.81
O=C(C(CCC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146831	1	52	-1.0	-47.83	408.06	10.08	-37.75
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCOCC2)CC1	REAL300020146832	0	44	-1.0	-37.38	328.26	4.05	-33.33
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCOCC2)CC1	REAL300020146832	1	44	-1.0	-37.39	328.32	4.08	-33.31
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300020146833	0	51	0.0	-69.95	382.26	6.27	-63.68
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300020146833	1	51	0.0	-65.48	379.40	6.12	-59.36
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300020146833	1	51	0.0	-69.97	382.32	6.29	-63.68
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300020146833	1	51	0.0	-65.45	379.46	6.14	-59.31
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2CCC(C1)S2	REAL300020146834	0	44	-1.0	-44.32	312.98	5.31	-39.01
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2CCC(C1)S2	REAL300020146834	1	44	-1.0	-44.34	313.04	5.34	-39.00
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2CCC(C1)S2(=O)=O	REAL300020146835	0	46	-1.0	-60.41	332.79	1.81	-58.60
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2CCC(C1)S2(=O)=O	REAL300020146835	1	46	-1.0	-60.42	332.85	1.83	-58.59
O=C([C@@H]1CCO[C@H]1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146836	0	37	-1.0	-45.38	301.97	2.66	-42.72
O=C([C@@H]1CCO[C@H]1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146836	1	37	-1.0	-45.37	302.04	2.70	-42.67
COC1=C(F)C=CC(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146837	0	37	-1.0	-45.42	333.55	4.63	-40.79
COC1=C(F)C=CC(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146837	1	37	-1.0	-45.40	333.60	4.66	-40.74
O=C(C1=CC=C2C(=C1)C=CS2(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146838	0	38	-1.0	-49.68	326.66	2.07	-47.61
O=C(C1=CC=C2C(=C1)C=CS2(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146838	1	38	-1.0	-49.65	326.71	2.09	-47.56
O=C(C1=NC(Br)=C2CCCCN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146839	0	40	-1.0	-44.80	332.70	5.84	-38.96
O=C(C1=NC(Br)=C2CCCCN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146839	1	40	-1.0	-44.77	332.64	5.81	-38.96
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1Cl	REAL300020146840	0	39	-1.0	-41.96	339.94	4.82	-37.14
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1Cl	REAL300020146840	1	39	-1.0	-41.98	340.00	4.85	-37.13
O=C(CC(C(F)F)N1C=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146841	0	39	-1.0	-45.34	321.44	5.37	-39.97
O=C(CC(C(F)F)N1C=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146841	1	39	-1.0	-45.37	321.50	5.39	-39.98
O=C(C1=CC=C2N=C(C3CCCO3)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146842	0	46	-1.0	-46.92	371.14	2.34	-44.58
O=C(C1=CC=C2N=C(C3CCCO3)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146842	1	46	-1.0	-46.92	371.20	2.37	-44.55
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CS2)=NO1	REAL300020146843	0	39	-1.0	-44.80	338.92	5.49	-39.31
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CS2)=NO1	REAL300020146843	1	39	-1.0	-44.72	338.86	5.46	-39.26
O=C(C(O)CC1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146844	0	40	-1.0	-36.92	355.72	4.93	-31.99
O=C(C(O)CC1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146844	1	40	-1.0	-36.96	355.77	4.96	-32.00
O=C(C(O)C1=CC=CC2=C1OCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146845	0	42	-1.0	-45.53	324.95	3.15	-42.38
O=C(C(O)C1=CC=CC2=C1OCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146845	1	42	-1.0	-45.56	325.01	3.18	-42.38
NC(=O)C1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146846	0	36	-1.0	-46.05	299.72	0.27	-45.78
NC(=O)C1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146846	1	36	-1.0	-46.06	299.67	0.24	-45.82
O=C(C1=CC=C(F)C2=CC=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146847	0	38	-1.0	-51.86	316.49	5.09	-46.77
O=C(C1=CC=C(F)C2=CC=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146847	1	38	-1.0	-51.89	316.43	5.07	-46.82
O=C(C1=NN(CC(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146848	0	36	-1.0	-47.98	311.99	4.17	-43.81
O=C(C1=NN(CC(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146848	1	36	-1.0	-47.98	311.93	4.14	-43.84
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146849	0	44	-1.0	-48.54	361.33	6.35	-42.19
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146849	1	44	-1.0	-48.50	361.38	6.38	-42.12
O=C(CC1=CC=CN=C1)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146850	0	49	-1.0	-58.44	399.04	5.33	-53.11
O=C(CC1=CC=CN=C1)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146850	1	49	-1.0	-58.43	398.98	5.30	-53.13
O=C(C1=NN2C=CC=C(Br)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146851	0	36	-1.0	-43.68	319.15	5.27	-38.41
O=C(C1=NN2C=CC=C(Br)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146851	1	36	-1.0	-43.71	319.09	5.25	-38.46
O=C(C1=NC=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146852	0	32	-1.0	-37.50	293.69	4.55	-32.95
O=C(C1=NC=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146852	1	32	-1.0	-37.52	293.64	4.52	-33.00
O=C(C1=CC2=CC=CC=C2C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146853	0	38	-1.0	-42.80	311.05	5.78	-37.02
O=C(C1=CC2=CC=CC=C2C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146853	1	38	-1.0	-42.81	310.99	5.75	-37.06
O=C(C1COC2=CC(Cl)=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146854	0	41	-1.0	-43.86	341.78	5.68	-38.18
O=C(C1COC2=CC(Cl)=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146854	1	41	-1.0	-43.90	341.84	5.71	-38.19
O=C(C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146855	0	40	-1.0	-46.17	347.35	6.37	-39.80
O=C(C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146855	1	40	-1.0	-46.17	347.30	6.34	-39.83
O=C(CN1C=C(I)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146856	0	32	-1.0	-57.68	297.13	2.47	-55.21
O=C(CN1C=C(I)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146856	1	32	-1.0	-57.61	297.07	2.45	-55.16
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146857	0	40	-1.0	-50.45	348.91	7.42	-43.03
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146857	1	40	-1.0	-50.45	348.97	7.45	-43.00
O=C(C1=CN=C(C2=CC=C(Cl)C=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146858	0	39	-1.0	-37.16	351.42	5.88	-31.28
O=C(C1=CN=C(C2=CC=C(Cl)C=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146858	1	39	-1.0	-37.14	351.36	5.86	-31.28
O=C(C1=CC=C(C(F)(F)F)C(Cl)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146859	0	36	-1.0	-45.80	335.70	6.27	-39.53
O=C(C1=CC=C(C(F)(F)F)C(Cl)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146859	1	36	-1.0	-45.80	335.75	6.29	-39.51
O=C(COC1=CC=C(F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146860	0	36	-1.0	-47.06	307.56	2.87	-44.19
O=C(COC1=CC=C(F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146860	1	36	-1.0	-47.07	307.51	2.85	-44.22
CC1(C)COCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020146861	0	44	-1.0	-50.86	337.15	3.73	-47.13
CC1(C)COCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020146861	1	44	-1.0	-50.83	337.21	3.75	-47.08
CN1C=C(C2=NOC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2)C=N1	REAL300020146862	0	41	-1.0	-57.61	339.60	3.80	-53.81
CN1C=C(C2=NOC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2)C=N1	REAL300020146862	1	41	-1.0	-57.62	339.54	3.78	-53.84
O=C(CCCCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146863	0	38	-1.0	-46.61	317.28	5.17	-41.44
O=C(CCCCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146863	1	38	-1.0	-46.58	317.34	5.19	-41.39
O=C([C@H]1C[C@@H](OC(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146864	0	37	-1.0	-48.16	306.06	3.03	-45.13
O=C([C@H]1C[C@@H](OC(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146864	1	37	-1.0	-48.16	306.12	3.05	-45.11
CN1N=CC=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146865	0	36	-1.0	-42.51	299.54	2.70	-39.81
CN1N=CC=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146865	1	36	-1.0	-42.47	299.48	2.67	-39.80
COC1=CC=C(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020146866	0	39	-1.0	-38.89	329.10	2.13	-36.76
COC1=CC=C(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020146866	1	39	-1.0	-38.85	329.04	2.10	-36.75
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CSC=N1	REAL300020146867	0	32	-1.0	-41.68	285.61	3.16	-38.52
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CSC=N1	REAL300020146867	1	32	-1.0	-41.73	285.56	3.13	-38.60
CC(C)(C)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146868	0	44	-1.0	-45.99	341.98	6.00	-39.99
CC(C)(C)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146868	1	44	-1.0	-46.01	341.92	5.97	-40.04
COC1=CC=CC=C1C1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146869	0	43	-1.0	-42.45	361.95	5.10	-37.35
COC1=CC=CC=C1C1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146869	1	43	-1.0	-42.48	361.90	5.07	-37.41
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300020146870	0	40	-1.0	-46.55	314.56	5.56	-40.99
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300020146870	1	40	-1.0	-46.58	314.62	5.59	-40.99
O=C(C1=C2N(CCNS2(=O)=O)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146871	0	39	-1.0	-51.23	328.61	-2.44	-53.67
O=C(C1=C2N(CCNS2(=O)=O)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146871	1	39	-1.0	-51.17	328.55	-2.47	-53.64
CC(C)(C)N1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146872	0	42	-1.0	-43.06	317.44	4.09	-38.97
CC(C)(C)N1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146872	1	42	-1.0	-43.05	317.38	4.07	-38.98
CC1=NC2=C(CCCC2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020146873	0	45	-1.0	-53.70	348.77	4.30	-49.40
CC1=NC2=C(CCCC2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020146873	1	45	-1.0	-53.72	348.83	4.33	-49.39
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146874	0	44	-1.0	-49.65	358.11	3.21	-46.44
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146874	1	44	-1.0	-49.69	358.17	3.24	-46.45
CCCCCC1=CC=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146875	0	51	-1.0	-47.12	402.09	9.22	-37.90
CCCCCC1=CC=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146875	1	51	-1.0	-47.10	402.15	9.25	-37.85
O=C(C1COC2=C(F)C=C(F)C=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146876	0	41	-1.0	-44.44	337.76	5.31	-39.13
O=C(C1COC2=C(F)C=C(F)C=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146876	1	41	-1.0	-44.47	337.81	5.33	-39.14
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146877	0	48	-1.0	-55.81	374.56	7.47	-48.34
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146877	1	48	-1.0	-55.79	374.62	7.49	-48.30
CCCCC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146878	0	41	-1.0	-44.48	340.55	4.56	-39.92
CCCCC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146878	1	41	-1.0	-44.49	340.61	4.58	-39.91
CC(C)(C)OCC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146879	0	45	-1.0	-37.86	366.76	3.46	-34.40
CC(C)(C)OCC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146879	1	45	-1.0	-37.82	366.82	3.48	-34.34
CC1=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=CC=C1[N+](=O)[O-]	REAL300020146880	0	42	-1.0	-44.41	347.73	6.15	-38.26
CC1=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=CC=C1[N+](=O)[O-]	REAL300020146880	1	42	-1.0	-44.41	347.79	6.17	-38.24
COC1=CC(F)=CC(N2C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020146881	0	44	-1.0	-46.96	364.35	5.56	-41.40
COC1=CC(F)=CC(N2C=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020146881	1	44	-1.0	-46.98	364.30	5.54	-41.44
O=C(C(CCC1=CC=CC=C1)CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146882	0	55	-1.0	-50.11	430.97	11.07	-39.04
O=C(C(CCC1=CC=CC=C1)CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146882	1	55	-1.0	-50.07	431.02	11.09	-38.98
CC(=O)N1CSC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146883	0	38	-1.0	-56.93	306.66	3.85	-53.08
CC(=O)N1CSC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146883	1	38	-1.0	-56.95	306.72	3.87	-53.08
COCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCO1	REAL300020146884	0	44	-1.0	-39.31	322.73	3.52	-35.79
COCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCO1	REAL300020146884	1	44	-1.0	-39.29	322.79	3.54	-35.75
CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020146885	0	39	-1.0	-51.09	321.83	5.88	-45.21
CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020146885	1	39	-1.0	-51.10	321.89	5.90	-45.20
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12CCO[C@@H]1CCCCC2	REAL300020146886	0	47	-1.0	-47.46	310.36	3.44	-44.02
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12CCO[C@@H]1CCCCC2	REAL300020146886	1	47	-1.0	-47.47	310.41	3.47	-44.00
CN(C)C1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)SC2=CC=C1	REAL300020146887	0	44	-1.0	-40.65	360.95	5.28	-35.37
CN(C)C1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)SC2=CC=C1	REAL300020146887	1	44	-1.0	-40.68	361.01	5.30	-35.38
O=C(C1C2CC1(C1=CC=NC=C1)CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146888	0	46	-1.0	-48.99	353.80	6.40	-42.59
O=C(C1C2CC1(C1=CC=NC=C1)CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146888	1	46	-1.0	-49.02	353.75	6.38	-42.64
O=C([C@@H]1C[C@H]1C1=CC=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146889	0	40	-1.0	-51.03	334.02	6.87	-44.16
O=C([C@@H]1C[C@H]1C1=CC=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146889	1	40	-1.0	-51.06	334.08	6.89	-44.17
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=N1	REAL300020146890	0	36	-1.0	-38.01	312.65	1.61	-36.40
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=N1	REAL300020146890	1	36	-1.0	-38.03	312.59	1.58	-36.45
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C)(C)C1	REAL300020146891	0	56	-1.0	-53.30	416.57	6.05	-47.25
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C)(C)C1	REAL300020146891	1	56	-1.0	-53.32	416.63	6.08	-47.24
CCC1=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CNC2=N1	REAL300020146892	0	41	-1.0	-61.45	337.77	4.22	-57.23
CCC1=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CNC2=N1	REAL300020146892	1	41	-1.0	-61.49	337.82	4.25	-57.24
O=C(C1=C2N=C(CC3CC3)N=C2NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146893	0	45	-1.0	-64.58	369.11	5.86	-58.72
O=C(C1=C2N=C(CC3CC3)N=C2NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146893	1	45	-1.0	-64.59	369.16	5.88	-58.71
O=C(C(O)C1CCCCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146894	0	49	-1.0	-44.92	339.10	4.09	-40.83
O=C(C(O)C1CCCCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146894	1	49	-1.0	-44.92	339.16	4.12	-40.80
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(Cl)O1	REAL300020146895	0	35	-1.0	-48.52	324.52	-1.89	-50.41
NS(=O)(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(Cl)O1	REAL300020146895	1	35	-1.0	-48.50	324.57	-1.87	-50.37
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2CCCCC2=N1	REAL300020146896	0	45	-1.0	-44.35	346.17	5.69	-38.66
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2CCCCC2=N1	REAL300020146896	1	45	-1.0	-44.35	346.22	5.72	-38.63
CC[C@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020146897	0	52	-1.0	-53.50	394.39	4.05	-49.45
CC[C@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020146897	1	52	-1.0	-53.50	394.45	4.07	-49.43
CC[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020146898	0	52	-1.0	-53.68	394.36	4.03	-49.65
CC[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020146898	1	52	-1.0	-53.67	394.41	4.06	-49.61
O=C(C1CCN(CC2=CC=CC=C2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146899	0	47	-1.0	-45.22	373.19	6.23	-38.99
O=C(C1CCN(CC2=CC=CC=C2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146899	1	47	-1.0	-45.23	373.24	6.25	-38.98
O=C(C1=NN(C2=CC(F)=CC=C2F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146900	0	40	-1.0	-46.54	338.34	6.26	-40.28
O=C(C1=NN(C2=CC(F)=CC=C2F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146900	1	40	-1.0	-46.54	338.29	6.24	-40.30
O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146901	0	37	-1.0	-53.46	309.96	-2.74	-56.20
O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146901	1	37	-1.0	-53.50	310.02	-2.71	-56.21
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C21	REAL300020146902	0	51	-1.0	-57.36	396.55	5.70	-51.66
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C21	REAL300020146902	1	51	-1.0	-57.39	396.50	5.67	-51.72
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020146903	0	47	-1.0	-47.82	369.23	4.03	-43.79
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020146903	1	47	-1.0	-47.79	369.17	4.00	-43.79
O=C(C1CCC(O)(C2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146904	0	47	-1.0	-52.13	362.26	4.52	-47.61
O=C(C1CCC(O)(C2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146904	1	47	-1.0	-52.08	362.31	4.54	-47.54
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020146905	0	51	-1.0	-47.76	402.93	3.08	-44.68
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020146905	1	51	-1.0	-47.76	402.88	3.05	-44.71
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020146906	0	44	-1.0	-48.22	346.76	3.13	-45.09
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020146906	1	44	-1.0	-48.26	346.71	3.11	-45.15
CC1=C([C@@H]2OCC[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C	REAL300020146907	0	47	-1.0	-46.64	363.98	3.54	-43.10
CC1=C([C@@H]2OCC[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C	REAL300020146907	1	47	-1.0	-46.70	364.04	3.57	-43.13
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146908	0	53	-1.0	-50.28	400.19	4.98	-45.30
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146908	1	53	-1.0	-50.24	400.25	5.01	-45.23
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146909	0	47	-1.0	-48.35	359.52	4.07	-44.28
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146909	1	47	-1.0	-48.35	359.58	4.09	-44.26
O=C(C1=CC=C2N=C(C3CCCCC3)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146910	0	51	-1.0	-40.07	398.08	5.37	-34.70
O=C(C1=CC=C2N=C(C3CCCCC3)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146910	1	51	-1.0	-40.09	398.14	5.40	-34.69
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C1=CC=C(F)C=C1	REAL300020146911	0	43	-1.0	-48.11	352.05	6.11	-42.00
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C1=CC=C(F)C=C1	REAL300020146911	1	43	-1.0	-48.07	351.99	6.08	-41.99
O=C(C1CC(=O)N(CC2=CC=CC=C2F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146912	0	47	-1.0	-52.74	378.02	6.26	-46.48
O=C(C1CC(=O)N(CC2=CC=CC=C2F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146912	1	47	-1.0	-52.76	378.08	6.29	-46.47
O=C(C1CC12C(=O)NC1=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146913	0	42	-1.0	-58.32	339.49	5.88	-52.44
O=C(C1CC12C(=O)NC1=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146913	1	42	-1.0	-58.33	339.55	5.91	-52.42
COC1=CC=C(N2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020146914	0	43	-1.0	-44.72	353.91	4.04	-40.68
COC1=CC=C(N2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020146914	1	43	-1.0	-44.74	353.86	4.02	-40.72
CC(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C(C)C)O1	REAL300020146915	0	48	-1.0	-44.86	377.23	6.95	-37.91
CC(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C(C)C)O1	REAL300020146915	1	48	-1.0	-44.84	377.28	6.97	-37.87
COC1=CC=C(C=C(C#N)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020146916	0	46	-1.0	-44.13	376.12	4.86	-39.27
COC1=CC=C(C=C(C#N)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020146916	1	46	-1.0	-44.13	376.18	4.88	-39.25
O=C(CN1N=NN=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146917	0	41	-1.0	-54.50	338.16	4.27	-50.23
O=C(CN1N=NN=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146917	1	41	-1.0	-54.51	338.22	4.30	-50.21
O=C(C1=CN=C(C2=CC=CC=N2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146918	0	40	-1.0	-48.24	335.45	3.80	-44.44
O=C(C1=CN=C(C2=CC=CC=N2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146918	1	40	-1.0	-48.19	335.51	3.83	-44.36
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146919	0	44	-1.0	-51.74	368.19	7.08	-44.66
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146919	1	44	-1.0	-51.71	368.25	7.11	-44.60
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)N1	REAL300020146920	0	40	-1.0	-43.54	339.32	3.36	-40.18
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)O2)N1	REAL300020146920	1	40	-1.0	-43.55	339.38	3.39	-40.16
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)[N-]1	REAL300020146920	1	39	-2.0	-92.25	335.70	2.91	-89.34
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)O2)[N-]1	REAL300020146920	1	39	-2.0	-92.26	335.76	2.93	-89.33
COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020146921	0	43	-1.0	-49.01	340.92	5.23	-43.78
COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020146921	1	43	-1.0	-48.98	340.98	5.25	-43.73
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C(F)F	REAL300020146922	0	36	-1.0	-47.76	302.95	3.47	-44.29
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C(F)F	REAL300020146922	1	36	-1.0	-47.76	303.01	3.50	-44.26
O=C(C1CC1C1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146923	0	42	-1.0	-49.18	342.07	7.34	-41.84
O=C(C1CC1C1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146923	1	42	-1.0	-49.12	342.13	7.36	-41.76
O=C(C1=CC=C(F)C(C(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146924	0	36	-1.0	-46.51	307.10	5.33	-41.18
O=C(C1=CC=C(F)C(C(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146924	1	36	-1.0	-46.50	307.16	5.36	-41.14
CS(=O)(=O)C1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146925	0	45	-1.0	-52.88	376.79	3.78	-49.10
CS(=O)(=O)C1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146925	1	45	-1.0	-52.92	376.85	3.81	-49.11
CC(C)CC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146926	0	41	-1.0	-44.45	335.80	4.25	-40.20
CC(C)CC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146926	1	41	-1.0	-44.46	335.86	4.28	-40.18
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146927	0	48	-1.0	-53.61	363.98	6.82	-46.79
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146927	1	48	-1.0	-53.58	364.04	6.85	-46.73
O=C(C1=CN=C2CCCC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146928	0	41	-1.0	-47.06	330.58	4.24	-42.82
O=C(C1=CN=C2CCCC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146928	1	41	-1.0	-47.05	330.63	4.26	-42.79
O=C(C1=CN=C2SCCN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146929	0	35	-1.0	-46.64	295.09	3.52	-43.12
O=C(C1=CN=C2SCCN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146929	1	35	-1.0	-46.60	295.03	3.49	-43.11
CN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1S(N)(=O)=O	REAL300020146930	0	38	-1.0	-53.10	320.75	-1.65	-54.75
CN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1S(N)(=O)=O	REAL300020146930	1	38	-1.0	-53.12	320.69	-1.67	-54.79
O=C(C1=CC=C(C(F)F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146931	0	36	-1.0	-42.94	309.64	5.40	-37.54
O=C(C1=CC=C(C(F)F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146931	1	36	-1.0	-42.95	309.70	5.42	-37.53
O=C(C1=CSC(C2CCCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146932	0	46	-1.0	-37.84	364.16	7.42	-30.42
O=C(C1=CSC(C2CCCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146932	1	46	-1.0	-37.83	364.22	7.45	-30.38
CC(C)(C)CC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146933	0	44	-1.0	-44.46	352.52	4.82	-39.64
CC(C)(C)CC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146933	1	44	-1.0	-44.46	352.58	4.85	-39.61
COC(=O)C1=CC=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146934	0	42	-1.0	-46.90	342.82	5.71	-41.19
COC(=O)C1=CC=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146934	1	42	-1.0	-46.91	342.87	5.73	-41.18
COC12CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CC1)CC2	REAL300020146935	0	47	-1.0	-45.75	332.45	3.97	-41.78
COC12CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CC1)CC2	REAL300020146935	1	47	-1.0	-45.75	332.51	3.99	-41.76
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146936	0	50	-1.0	-48.45	385.14	4.82	-43.63
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146936	1	50	-1.0	-48.42	385.20	4.84	-43.58
CC(=O)N1CSC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146937	0	38	-1.0	-55.12	310.43	3.85	-51.27
CC(=O)N1CSC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146937	1	38	-1.0	-55.11	310.49	3.87	-51.24
CCOC1=CC=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1F	REAL300020146938	0	40	-1.0	-49.92	351.70	5.39	-44.53
CCOC1=CC=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1F	REAL300020146938	1	40	-1.0	-49.90	351.76	5.42	-44.48
O=C(C1=CNC2=CC(F)=C(F)C=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146939	0	39	-1.0	-60.47	338.38	4.58	-55.89
O=C(C1=CNC2=CC(F)=C(F)C=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146939	1	39	-1.0	-60.52	338.44	4.60	-55.92
O=C(C1=CC=C2SC=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146940	0	35	-1.0	-40.12	301.73	3.83	-36.29
O=C(C1=CC=C2SC=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146940	1	35	-1.0	-40.09	301.67	3.81	-36.28
O=C(CC1=NOC(C2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146941	0	39	-1.0	-54.19	322.53	5.22	-48.97
O=C(CC1=NOC(C2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146941	1	39	-1.0	-54.23	322.58	5.25	-48.98
O=C(C1=CC(F)=CC(Br)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146942	0	33	-1.0	-44.85	304.75	5.20	-39.65
O=C(C1=CC(F)=CC(Br)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146942	1	33	-1.0	-44.84	304.81	5.22	-39.62
O=C(C=CC1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146943	0	37	-1.0	-49.52	317.76	6.37	-43.15
O=C(C=CC1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146943	1	37	-1.0	-49.53	317.82	6.40	-43.13
O=C(C=CC1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146944	0	37	-1.0	-36.67	309.92	6.00	-30.67
O=C(C=CC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146944	1	37	-1.0	-36.65	309.98	6.02	-30.63
O=C(C=CC1=CC=C(Br)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146945	0	34	-1.0	-39.88	307.79	4.85	-35.03
O=C(C=CC1=CC=C(Br)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146945	1	34	-1.0	-39.86	307.85	4.87	-34.99
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC(Br)=C1	REAL300020146946	0	36	-1.0	-38.97	323.22	6.02	-32.95
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC(Br)=C1	REAL300020146946	1	36	-1.0	-38.92	323.28	6.05	-32.87
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N(C)C1=O	REAL300020146947	0	45	-1.0	-47.36	360.12	5.88	-41.48
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N(C)C1=O	REAL300020146947	1	45	-1.0	-47.37	360.17	5.91	-41.46
O=C(CC=CC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146948	0	40	-1.0	-47.90	347.04	7.39	-40.51
O=C(CC=CC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146948	1	40	-1.0	-47.87	347.10	7.42	-40.45
CSC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146949	0	43	-1.0	-46.15	356.31	7.28	-38.87
CSC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146949	1	43	-1.0	-46.15	356.37	7.31	-38.84
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146950	0	38	-1.0	-52.22	321.33	5.67	-46.55
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146950	1	38	-1.0	-52.25	321.38	5.70	-46.55
CP(C)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146951	0	42	-1.0	-50.66	350.50	4.02	-46.64
CP(C)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146951	1	42	-1.0	-50.67	350.56	4.04	-46.63
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020146952	0	38	-1.0	-52.76	326.52	0.07	-52.69
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020146952	1	38	-1.0	-52.78	326.47	0.05	-52.73
COC1=CC(C#N)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146953	0	38	-1.0	-39.83	320.31	4.39	-35.44
COC1=CC(C#N)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146953	1	38	-1.0	-39.85	320.37	4.41	-35.44
O=CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(Cl)S1	REAL300020146954	0	32	-1.0	-48.20	300.12	3.82	-44.38
O=CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020146954	1	32	-1.0	-48.20	300.18	3.84	-44.36
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CO1	REAL300020146955	0	54	-1.0	-52.77	412.63	2.24	-50.53
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CO1	REAL300020146955	1	54	-1.0	-52.80	412.69	2.26	-50.54
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C(Br)C=C1	REAL300020146956	0	40	-1.0	-43.32	342.96	6.12	-37.20
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C(Br)C=C1	REAL300020146956	1	40	-1.0	-43.33	343.02	6.14	-37.19
CC(C)C[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020146957	0	58	-1.0	-52.46	429.29	5.20	-47.26
CC(C)C[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020146957	1	58	-1.0	-52.45	429.35	5.23	-47.22
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146958	0	53	-1.0	-45.52	417.38	2.53	-42.99
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146958	1	53	-1.0	-45.48	417.44	2.55	-42.93
COC1=CC(=O)NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146959	0	37	-1.0	-50.80	308.73	0.89	-49.91
COC1=CC(=O)NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146959	1	37	-1.0	-50.79	308.79	0.92	-49.87
O=C(C1=NN2CCCCC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146960	0	42	-1.0	-42.33	335.68	4.27	-38.06
O=C(C1=NN2CCCCC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146960	1	42	-1.0	-42.34	335.74	4.30	-38.04
O=C(C1=CC(N2C=CC=C2)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146961	0	41	-1.0	-46.51	346.26	7.68	-38.83
O=C(C1=CC(N2C=CC=C2)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146961	1	41	-1.0	-46.50	346.32	7.71	-38.79
O=C(C1=NN(C2=CC=C(F)C(F)=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146962	0	40	-1.0	-49.82	341.11	6.31	-43.51
O=C(C1=NN(C2=CC=C(F)C(F)=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146962	1	40	-1.0	-49.82	341.05	6.28	-43.54
CCCCS(=O)(=O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146963	0	41	-1.0	-63.80	340.68	1.98	-61.82
CCCCS(=O)(=O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146963	1	41	-1.0	-63.78	340.73	2.01	-61.77
CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146964	0	54	-1.0	-46.46	409.40	4.73	-41.73
CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146964	1	54	-1.0	-46.42	409.45	4.75	-41.67
O=C(COC1CCCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146965	0	46	-1.0	-49.10	342.62	5.89	-43.21
O=C(COC1CCCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146965	1	46	-1.0	-49.11	342.68	5.92	-43.19
O=C(C1=CC=CC2=C1CCCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146966	0	46	-1.0	-46.94	342.57	7.25	-39.69
O=C(C1=CC=CC2=C1CCCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146966	1	46	-1.0	-46.95	342.63	7.28	-39.67
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCCC1	REAL300020146967	0	46	-1.0	-45.28	321.00	4.09	-41.19
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCCC1	REAL300020146967	1	46	-1.0	-45.30	321.05	4.12	-41.18
CC(=O)NC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020146968	0	45	-1.0	-54.87	327.72	3.35	-51.52
CC(=O)NC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020146968	1	45	-1.0	-54.89	327.78	3.38	-51.51
O=C(C1=CC=CC=C1C1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146969	0	43	-1.0	-47.22	332.43	6.94	-40.28
O=C(C1=CC=CC=C1C1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146969	1	43	-1.0	-47.23	332.49	6.97	-40.26
O=C(C1=NC=CC2=C(Br)C=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146970	0	38	-1.0	-44.52	333.17	5.38	-39.14
O=C(C1=NC=CC2=C(Br)C=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146970	1	38	-1.0	-44.55	333.11	5.36	-39.19
CC(C)(C)OC(=O)CN1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020146971	0	55	-1.0	-64.56	421.98	7.35	-57.21
CC(C)(C)OC(=O)CN1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020146971	1	55	-1.0	-64.53	422.04	7.37	-57.16
O=C(C1=CC=CC=C1N1C=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146972	0	41	-1.0	-50.78	333.76	7.43	-43.35
O=C(C1=CC=CC=C1N1C=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146972	1	41	-1.0	-50.81	333.81	7.46	-43.35
CCOC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020146973	0	46	-1.0	-53.06	370.40	7.05	-46.01
CCOC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020146973	1	46	-1.0	-53.09	370.46	7.07	-46.02
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)C1=CC=CC=C1	REAL300020146974	0	45	-1.0	-44.46	340.94	6.50	-37.96
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)C1=CC=CC=C1	REAL300020146974	1	45	-1.0	-44.50	341.00	6.52	-37.98
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146975	0	50	-1.0	-46.07	390.13	1.32	-44.75
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146975	1	50	-1.0	-46.10	390.19	1.34	-44.76
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146976	0	33	-2.0	-97.71	291.14	2.87	-94.84
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146976	1	33	-2.0	-97.68	291.20	2.89	-94.79
O=C(C1=CC(F)=CC(F)=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146976	1	34	-1.0	-45.51	293.65	1.97	-43.54
CC1(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020146977	0	43	-1.0	-45.36	336.36	6.91	-38.45
CC1(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020146977	1	43	-1.0	-45.36	336.41	6.94	-38.42
CC(C)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146978	0	42	-1.0	-37.53	340.73	6.22	-31.31
CC(C)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146978	1	42	-1.0	-37.58	340.79	6.24	-31.34
O=C(CCC1=CC=C2OCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146979	0	47	-1.0	-46.88	369.81	6.89	-39.99
O=C(CCC1=CC=C2OCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146979	1	47	-1.0	-46.87	369.87	6.91	-39.96
CC1=NN(C2=CC=CC=C2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146980	0	43	-1.0	-47.39	345.33	6.05	-41.34
CC1=NN(C2=CC=CC=C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146980	1	43	-1.0	-47.37	345.39	6.08	-41.29
O=C(C1=CNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1)C1=CC=CC=C1	REAL300020146981	0	43	-1.0	-56.26	351.75	6.00	-50.26
O=C(C1=CNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1)C1=CC=CC=C1	REAL300020146981	1	43	-1.0	-56.28	351.81	6.02	-50.26
O=C(C1=CC(=O)C(OCC2=CC=C(F)C=C2)=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146982	0	46	-1.0	-41.44	390.00	6.81	-34.63
O=C(C1=CC(=O)C(OCC2=CC=C(F)C=C2)=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146982	1	46	-1.0	-41.46	390.06	6.83	-34.63
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146983	0	43	-1.0	-44.48	352.94	5.84	-38.64
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146983	1	43	-1.0	-44.45	352.88	5.81	-38.64
CC(C)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OCC1=CC=CC=C1	REAL300020146984	0	53	-1.0	-50.67	412.59	5.31	-45.36
CC(C)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OCC1=CC=CC=C1	REAL300020146984	1	53	-1.0	-50.66	412.65	5.33	-45.33
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146985	0	49	-1.0	-39.25	403.44	2.08	-37.17
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146985	1	49	-1.0	-39.24	403.50	2.11	-37.13
CC(C)C[C@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020146986	0	58	-1.0	-52.22	429.32	5.22	-47.00
CC(C)C[C@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020146986	1	58	-1.0	-52.25	429.38	5.24	-47.01
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020146987	0	54	-1.0	-52.26	409.40	6.22	-46.04
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020146987	1	54	-1.0	-52.26	409.46	6.25	-46.01
O=C(CC1=C(Br)SC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146988	0	33	-1.0	-46.88	304.60	5.05	-41.83
O=C(CC1=C(Br)SC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146988	1	33	-1.0	-46.87	304.66	5.08	-41.79
O=C(C1=CC=C(OC2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146989	0	41	-1.0	-45.98	329.02	5.36	-40.62
O=C(C1=CC=C(OC2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146989	1	41	-1.0	-45.96	329.08	5.39	-40.57
O=C(C1=NC=CC2=NC=NC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146990	0	36	-1.0	-40.89	304.06	2.86	-38.03
O=C(C1=NC=CC2=NC=NC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146990	1	36	-1.0	-40.88	304.00	2.83	-38.05
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1(O)CCCCCC1	REAL300020146991	0	46	-1.0	-37.21	336.38	4.40	-32.81
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1(O)CCCCCC1	REAL300020146991	1	46	-1.0	-37.20	336.44	4.43	-32.77
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146992	0	50	-1.0	-47.63	389.62	7.63	-40.00
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146992	1	50	-1.0	-47.66	389.67	7.66	-40.00
O=C(C1=CC=C(C2CC(=O)C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146993	0	42	-1.0	-49.87	338.95	6.14	-43.73
O=C(C1=CC=C(C2CC(=O)C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146993	1	42	-1.0	-49.84	339.01	6.16	-43.68
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CC(C2=CC=CC=C2)C1	REAL300020146994	0	44	-1.0	-44.32	345.94	3.98	-40.34
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CC(C2=CC=CC=C2)C1	REAL300020146994	1	44	-1.0	-44.35	345.99	4.00	-40.35
O=C(CCC1=C2C=CC=CC2=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146995	0	42	-1.0	-47.74	342.96	4.84	-42.90
O=C(CCC1=C2C=CC=CC2=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146995	1	42	-1.0	-47.72	343.02	4.86	-42.86
O=C(C1=C(Cl)C([N+](=O)[O-])=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146996	0	32	-1.0	-43.09	294.62	3.37	-39.72
O=C(C1=C(Cl)C([N+](=O)[O-])=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146996	1	32	-1.0	-43.10	294.68	3.40	-39.70
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCC(C2=CC=CC=C2)CC1	REAL300020146997	0	59	-1.0	-49.94	422.84	7.66	-42.28
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCC(C2=CC=CC=C2)CC1	REAL300020146997	1	59	-1.0	-49.99	422.90	7.68	-42.31
O=C(C(O)C1(O)CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146998	0	42	-1.0	-45.34	309.66	-1.33	-46.67
O=C(C(O)C1(O)CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146998	1	42	-1.0	-45.36	309.72	-1.30	-46.66
COC1=C(Cl)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146999	0	37	-1.0	-49.06	319.45	4.66	-44.40
COC1=C(Cl)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146999	1	37	-1.0	-49.10	319.51	4.68	-44.42
CC1=CC=CC(NC(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147000	0	40	-1.0	-40.51	326.45	3.53	-36.98
CC1=CC=CC(NC(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147000	1	40	-1.0	-40.49	326.50	3.55	-36.94
CC(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C(C)C)N1	REAL300020147001	0	49	-1.0	-47.52	380.14	6.14	-41.38
CC(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C(C)C)N1	REAL300020147001	1	49	-1.0	-47.49	380.20	6.17	-41.32
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2CCCCN12	REAL300020147002	0	43	-1.0	-49.97	331.79	5.92	-44.05
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2CCCCN12	REAL300020147002	1	43	-1.0	-49.93	331.85	5.95	-43.98
CCCOC1=CC=C2NC=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020147003	0	50	-1.0	-53.46	399.48	6.50	-46.96
CCCOC1=CC=C2NC=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020147003	1	50	-1.0	-53.47	399.54	6.53	-46.94
N#CC1=C2CCCCN2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147004	0	42	-1.0	-44.88	335.56	5.93	-38.95
N#CC1=C2CCCCN2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147004	1	42	-1.0	-44.91	335.62	5.96	-38.95
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020147005	0	41	-1.0	-43.97	358.16	1.53	-42.44
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020147005	1	41	-1.0	-43.96	358.22	1.56	-42.40
COC(=O)C1=C2CCCCN2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147006	0	47	-1.0	-45.35	368.46	6.12	-39.23
COC(=O)C1=C2CCCCN2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147006	1	47	-1.0	-45.36	368.52	6.14	-39.22
CN1N=CC(Cl)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147007	0	36	-1.0	-49.71	312.32	3.49	-46.22
CN1N=CC(Cl)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147007	1	36	-1.0	-49.70	312.37	3.51	-46.19
O=C(C1CCC2=NNC(=O)N2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147008	0	40	-1.0	-53.45	319.64	2.45	-51.00
O=C(C1CCC2=NNC(=O)N2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147008	1	40	-1.0	-53.46	319.70	2.48	-50.98
CC1=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C(F)(F)F)O1	REAL300020147009	0	39	-1.0	-46.28	333.83	5.16	-41.12
CC1=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C(F)(F)F)O1	REAL300020147009	1	39	-1.0	-46.26	333.88	5.19	-41.07
O=C(C1=CN2CCOCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147010	0	39	-1.0	-49.09	309.87	3.33	-45.76
O=C(C1=CN2CCOCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147010	1	39	-1.0	-49.07	309.93	3.36	-45.71
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020147011	0	58	-1.0	-53.05	426.50	5.32	-47.73
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020147011	1	58	-1.0	-53.07	426.56	5.35	-47.72
CC1=CC(C(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020147012	0	38	-1.0	-42.06	323.39	5.12	-36.94
CC1=CC(C(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020147012	1	38	-1.0	-42.05	323.44	5.15	-36.90
COC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=CC1=O	REAL300020147013	0	43	-1.0	-63.94	346.89	4.86	-59.08
COC1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=CC1=O	REAL300020147013	1	43	-1.0	-63.96	346.95	4.88	-59.08
O=C(C1=CC2=CC=C(Cl)C(Cl)=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147014	0	39	-1.0	-47.85	355.25	4.73	-43.12
O=C(C1=CC2=CC=C(Cl)C(Cl)=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147014	1	39	-1.0	-47.81	355.31	4.75	-43.06
O=C(C(CC1=CC=CC=C1)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147015	0	46	-1.0	-44.71	351.94	7.57	-37.14
O=C(C(CC1=CC=CC=C1)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147015	1	46	-1.0	-44.71	352.00	7.60	-37.11
O=C(C1=CSC(C2=CC=CN=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147016	0	38	-1.0	-47.63	329.53	4.30	-43.33
O=C(C1=CSC(C2=CC=CN=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147016	1	38	-1.0	-47.64	329.48	4.27	-43.37
O=C(CN1N=CC=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147017	0	43	-1.0	-51.79	347.53	5.88	-45.91
O=C(CN1N=CC=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147017	1	43	-1.0	-51.86	347.48	5.85	-46.01
O=C([C@H]1CC[C@@H](N2C=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147018	0	47	-1.0	-52.51	350.14	7.11	-45.40
O=C([C@H]1CC[C@@H](N2C=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147018	1	47	-1.0	-52.43	350.20	7.13	-45.30
O=C(C1=C(C2=CC=CC=C2F)OC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147019	0	39	-1.0	-48.97	335.24	3.12	-45.85
O=C(C1=C(C2=CC=CC=C2F)OC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147019	1	39	-1.0	-48.98	335.18	3.10	-45.88
CC(O)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(Br)=C1	REAL300020147020	0	40	-1.0	-45.98	339.24	3.71	-42.27
CC(O)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(Br)=C1	REAL300020147020	1	40	-1.0	-46.00	339.30	3.73	-42.27
CC1=CC=C(OCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020147021	0	43	-1.0	-45.36	362.00	6.31	-39.05
CC1=CC=C(OCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020147021	1	43	-1.0	-45.37	362.06	6.33	-39.04
O=C(C1=C(Cl)C=C2NC(=O)COC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147022	0	39	-1.0	-47.23	335.62	2.15	-45.08
O=C(C1=C(Cl)C=C2NC(=O)COC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147022	1	39	-1.0	-47.25	335.68	2.17	-45.08
O=C(C1=CC=CN=C1OCCO)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147023	0	40	-1.0	-54.42	330.41	-0.62	-55.04
O=C(C1=CC=CN=C1OCCO)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147023	1	40	-1.0	-54.39	330.35	-0.65	-55.04
O=C(C1=CC=C(OC(F)(F)F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147024	0	37	-1.0	-37.25	322.37	4.30	-32.95
O=C(C1=CC=C(OC(F)(F)F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147024	1	37	-1.0	-37.26	322.42	4.32	-32.94
O=C(C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147025	0	44	-1.0	-43.98	370.11	8.21	-35.77
O=C(C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147025	1	44	-1.0	-43.97	370.17	8.24	-35.73
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(F)=C1F	REAL300020147026	0	35	-1.0	-43.80	313.85	4.62	-39.18
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(F)=C1F	REAL300020147026	1	35	-1.0	-43.81	313.90	4.65	-39.16
O=C(C1=C(O)C=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147027	0	40	-1.0	-48.74	330.21	3.99	-44.75
O=C(C1=C(O)C=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147027	1	40	-1.0	-48.70	330.26	4.01	-44.69
O=C(CCC1=CC=C(CO)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147028	0	43	-1.0	-48.15	348.92	3.59	-44.56
O=C(CCC1=CC=C(CO)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147028	1	43	-1.0	-48.15	348.97	3.61	-44.54
O=C(C1=NN2C=C(CCO)C=NC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147029	0	41	-1.0	-52.22	342.08	3.50	-48.72
O=C(C1=NN2C=C(CCO)C=NC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147029	1	41	-1.0	-52.20	342.03	3.48	-48.72
O=C(C1=NN2C(=C1)N=CC=C2C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147030	0	38	-1.0	-49.31	332.44	4.72	-44.59
O=C(C1=NN2C(=C1)N=CC=C2C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147030	1	38	-1.0	-49.31	332.39	4.70	-44.61
O=C(C1=C(Br)C=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147031	0	29	-1.0	-42.27	275.74	2.75	-39.52
O=C(C1=C(Br)C=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147031	1	29	-1.0	-42.29	275.68	2.72	-39.57
O=C(C1=C2C=NC=CN2C(C(F)(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147032	0	38	-1.0	-44.23	330.28	4.87	-39.36
O=C(C1=C2C=NC=CN2C(C(F)(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147032	1	38	-1.0	-44.23	330.22	4.85	-39.38
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147033	0	57	-1.0	-53.92	424.39	4.35	-49.57
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147033	1	57	-1.0	-53.88	424.45	4.38	-49.50
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147034	0	54	-1.0	-53.92	410.74	3.32	-50.60
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147034	1	54	-1.0	-53.92	410.80	3.34	-50.58
CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147035	0	51	-1.0	-59.99	399.66	2.36	-57.63
CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147035	1	51	-1.0	-60.03	399.71	2.38	-57.65
C#CCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147036	0	55	-1.0	-47.93	430.59	3.38	-44.55
C#CCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147036	1	55	-1.0	-47.99	430.65	3.41	-44.58
CC(C)[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020147037	0	55	-1.0	-53.40	410.91	4.55	-48.85
CC(C)[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020147037	1	55	-1.0	-53.31	410.97	4.57	-48.74
COC(=O)C[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020147038	0	55	-1.0	-55.51	431.55	4.09	-51.42
COC(=O)C[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020147038	1	55	-1.0	-55.44	431.61	4.11	-51.33
CC(C)(C)OC(=O)N1CCCC(F)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147039	0	53	-1.0	-48.19	398.71	5.35	-42.84
CC(C)(C)OC(=O)N1CCCC(F)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147039	1	53	-1.0	-48.19	398.77	5.37	-42.82
CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147040	0	56	-1.0	-50.09	410.01	6.65	-43.44
CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147040	1	56	-1.0	-50.12	410.07	6.68	-43.44
O=C(C1=C2NCCC(C(F)(F)F)N2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147041	0	42	-1.0	-48.32	347.91	3.04	-45.28
O=C(C1=C2NCCC(C(F)(F)F)N2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147041	1	42	-1.0	-48.35	347.85	3.01	-45.34
CC(C)NC1=NC=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147042	0	42	-1.0	-42.75	358.07	5.90	-36.85
CC(C)NC1=NC=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147042	1	42	-1.0	-42.74	358.02	5.87	-36.87
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@H]12	REAL300020147043	0	57	-1.0	-50.60	420.38	5.22	-45.38
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@H]12	REAL300020147043	1	57	-1.0	-50.64	420.44	5.25	-45.39
CC1CC(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020147044	0	59	-1.0	-46.65	424.09	6.74	-39.91
CC1CC(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020147044	1	59	-1.0	-46.69	424.15	6.76	-39.93
CC(C)[C@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020147045	0	55	-1.0	-53.04	410.67	5.05	-47.99
CC(C)[C@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020147045	1	55	-1.0	-52.98	410.73	5.07	-47.91
O=C(C1=CN=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147046	0	32	-1.0	-36.74	297.48	3.51	-33.23
O=C(C1=CN=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147046	1	32	-1.0	-36.74	297.42	3.48	-33.26
CN(C)C1=NC=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147047	0	39	-1.0	-43.56	335.80	6.17	-37.39
CN(C)C1=NC=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147047	1	39	-1.0	-43.52	335.74	6.15	-37.37
CC1=CN=C2C(=C1)C=NN2CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147048	0	41	-1.0	-55.01	339.77	4.85	-50.16
CC1=CN=C2C(=C1)C=NN2CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147048	1	41	-1.0	-54.98	339.71	4.83	-50.15
O=C(C1=CC=C(CN2C=C([N+](=O)[O-])C=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147049	0	45	-1.0	-53.42	384.50	6.84	-46.58
O=C(C1=CC=C(CN2C=C([N+](=O)[O-])C=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147049	1	45	-1.0	-53.43	384.44	6.82	-46.61
O=C(C1=CC=C(CN2C=NC([N+](=O)[O-])=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147050	0	44	-1.0	-58.23	379.84	9.84	-48.39
O=C(C1=CC=C(CN2C=NC([N+](=O)[O-])=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147050	1	44	-1.0	-58.19	379.78	9.82	-48.37
O=C(C1=CN(CC2CCCCO2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147051	0	47	-1.0	-51.88	367.36	4.32	-47.56
O=C(C1=CN(CC2CCCCO2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147051	1	47	-1.0	-51.91	367.31	4.29	-47.62
O=C(C1=CSC2=C1CCCCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147052	0	46	-1.0	-45.68	348.11	6.97	-38.71
O=C(C1=CSC2=C1CCCCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147052	1	46	-1.0	-45.67	348.17	6.99	-38.68
CC1(C)CCC2=C(C1)SC=C2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147053	0	46	-1.0	-45.87	358.26	7.02	-38.85
CC1(C)CCC2=C(C1)SC=C2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147053	1	46	-1.0	-45.90	358.32	7.05	-38.85
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCCCC1	REAL300020147054	0	49	-1.0	-48.27	343.71	5.09	-43.18
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCCCC1	REAL300020147054	1	49	-1.0	-48.32	343.77	5.11	-43.21
COC(=O)C1=C(C)NN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147055	0	39	-1.0	-45.76	327.88	2.82	-42.94
COC(=O)C1=C(C)NN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147055	1	39	-1.0	-45.77	327.93	2.85	-42.92
COC(=O)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NN=C1C	REAL300020147055	1	39	-1.0	-43.15	332.82	2.15	-41.00
COC(=O)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NN=C1C	REAL300020147055	1	39	-1.0	-43.15	332.88	2.17	-40.98
CC(C)C(O)C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147056	0	39	-1.0	-41.01	307.98	2.61	-38.40
CC(C)C(O)C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147056	1	39	-1.0	-41.00	308.03	2.63	-38.37
C#CC1=CC=CC(NC(=O)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147057	0	42	-1.0	-65.01	353.36	6.29	-58.72
C#CC1=CC=CC(NC(=O)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147057	1	42	-1.0	-65.00	353.41	6.32	-58.68
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C(O)C1=CC=CC=C1	REAL300020147058	0	40	-1.0	-39.39	330.26	3.93	-35.46
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C(O)C1=CC=CC=C1	REAL300020147058	1	40	-1.0	-39.41	330.32	3.95	-35.46
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)COC1	REAL300020147059	0	51	-1.0	-52.90	389.29	2.70	-50.20
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)COC1	REAL300020147059	1	51	-1.0	-52.97	389.35	2.73	-50.24
CC(C)(C)OC(=O)C12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)C2	REAL300020147060	0	49	-1.0	-47.25	377.88	6.79	-40.46
CC(C)(C)OC(=O)C12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)C2	REAL300020147060	1	49	-1.0	-47.27	377.94	6.82	-40.45
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1Cl	REAL300020147061	0	36	-1.0	-46.97	320.54	4.19	-42.78
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1Cl	REAL300020147061	1	36	-1.0	-46.92	320.48	4.17	-42.75
O=C(CN1CCCC(C(F)(F)F)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147062	0	43	-1.0	-53.11	351.08	4.64	-48.47
O=C(CN1CCCC(C(F)(F)F)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147062	1	43	-1.0	-53.12	351.13	4.67	-48.45
CC1=CC=CN2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020147063	0	39	-1.0	-48.94	319.17	5.34	-43.60
CC1=CC=CN2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020147063	1	39	-1.0	-48.95	319.11	5.31	-43.64
O=C(C1=CC=C2CCNC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147064	0	41	-1.0	-51.44	329.53	2.88	-48.56
O=C(C1=CC=C2CCNC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147064	1	41	-1.0	-51.44	329.58	2.91	-48.53
CN1N=CC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020147065	0	38	-1.0	-39.38	314.66	2.51	-36.87
CN1N=CC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020147065	1	38	-1.0	-39.44	314.61	2.49	-36.95
CC1=CC2=CC=NC=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147066	0	41	-1.0	-50.67	331.00	5.55	-45.12
CC1=CC2=CC=NC=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147066	1	41	-1.0	-50.66	330.95	5.53	-45.13
CC(C)(C)OCCOCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147067	0	49	-1.0	-46.02	379.99	3.88	-42.14
CC(C)(C)OCCOCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147067	1	49	-1.0	-46.00	380.05	3.91	-42.09
O=C(C1=NN2C=C(Br)C=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147068	0	36	-1.0	-44.90	319.77	5.32	-39.58
O=C(C1=NN2C=C(Br)C=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147068	1	36	-1.0	-44.84	319.71	5.29	-39.55
CC(C)C1CCC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)C1	REAL300020147069	0	49	-1.0	-37.95	379.80	7.82	-30.13
CC(C)C1CCC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)C1	REAL300020147069	1	49	-1.0	-37.93	379.86	7.85	-30.08
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=CC(Br)=C1	REAL300020147070	0	40	-1.0	-43.21	342.88	6.12	-37.09
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=CC(Br)=C1	REAL300020147070	1	40	-1.0	-43.22	342.94	6.15	-37.07
COC(=O)C1=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1	REAL300020147071	0	43	-1.0	-51.37	357.73	4.66	-46.71
COC(=O)C1=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1	REAL300020147071	1	43	-1.0	-51.39	357.79	4.68	-46.71
O=C(C1CCCC(NC2=CN=CC=N2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147072	0	49	-1.0	-40.50	373.13	4.22	-36.28
O=C(C1CCCC(NC2=CN=CC=N2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147072	1	49	-1.0	-40.50	373.07	4.20	-36.30
O=C(C1=CC=C(NC2=NC=CC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147073	0	43	-1.0	-50.51	350.78	6.86	-43.65
O=C(C1=CC=C(NC2=NC=CC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147073	1	43	-1.0	-50.51	350.72	6.83	-43.68
CN(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CSC=N1	REAL300020147074	0	40	-1.0	-49.25	322.19	1.33	-47.92
CN(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CSC=N1	REAL300020147074	1	40	-1.0	-49.26	322.24	1.36	-47.90
CC1=CC(Br)=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147075	0	38	-1.0	-50.43	331.09	5.05	-45.38
CC1=CC(Br)=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147075	1	38	-1.0	-50.41	331.14	5.07	-45.34
CC1(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NO2)CC1	REAL300020147076	0	38	-1.0	-42.65	314.29	2.63	-40.02
CC1(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NO2)CC1	REAL300020147076	1	38	-1.0	-42.65	314.23	2.61	-40.04
O=C(C1=CC=C2CCC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147077	0	41	-1.0	-48.93	329.75	3.59	-45.34
O=C(C1=CC=C2CCC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147077	1	41	-1.0	-48.87	329.80	3.62	-45.25
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147078	0	43	-1.0	-46.87	356.57	6.29	-40.58
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147078	1	43	-1.0	-46.85	356.63	6.32	-40.53
CC1=CC=CN2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C12	REAL300020147079	0	42	-1.0	-54.96	342.66	6.43	-48.53
CC1=CC=CN2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C12	REAL300020147079	1	42	-1.0	-54.92	342.71	6.45	-48.47
CC1(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020147080	0	44	-1.0	-50.23	334.42	3.50	-46.73
CC1(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020147080	1	44	-1.0	-50.23	334.48	3.52	-46.71
CC(C)(C)OC(=O)NCCCCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147081	0	56	-1.0	-53.91	448.73	5.19	-48.72
CC(C)(C)OC(=O)NCCCCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147081	1	56	-1.0	-53.90	448.78	5.21	-48.69
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL300020147082	0	47	-1.0	-44.68	368.51	7.68	-37.00
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL300020147082	1	47	-1.0	-44.65	368.57	7.71	-36.94
O=C(C1=C(CO)C2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147083	0	40	-1.0	-44.71	327.43	2.39	-42.32
O=C(C1=C(CO)C2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147083	1	40	-1.0	-44.72	327.48	2.42	-42.30
CS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147084	0	42	-1.0	-58.28	355.35	2.96	-55.32
CS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147084	1	42	-1.0	-58.30	355.41	2.98	-55.32
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=CO1	REAL300020147085	0	43	-1.0	-47.98	359.43	7.16	-40.82
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=CO1	REAL300020147085	1	43	-1.0	-47.98	359.49	7.18	-40.80
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Br)C=N2)CCC1	REAL300020147086	0	42	-1.0	-41.65	349.24	5.71	-35.94
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Br)C=N2)CCC1	REAL300020147086	1	42	-1.0	-41.57	349.18	5.68	-35.89
CC1=C(CC(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N1	REAL300020147087	0	46	-1.0	-42.72	374.21	6.77	-35.95
CC1=C(CC(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N1	REAL300020147087	1	46	-1.0	-42.72	374.26	6.80	-35.92
O=C(C1=C(Cl)C=CC=C1OCC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147088	0	44	-1.0	-51.16	372.81	6.90	-44.26
O=C(C1=C(Cl)C=CC=C1OCC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147088	1	44	-1.0	-51.14	372.87	6.92	-44.22
CC(=O)N[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020147089	0	45	-1.0	-42.86	333.61	2.73	-40.13
CC(=O)N[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020147089	1	45	-1.0	-42.83	333.67	2.75	-40.08
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CCCCC2)=NO1	REAL300020147090	0	48	-1.0	-42.95	377.67	6.80	-36.15
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CCCCC2)=NO1	REAL300020147090	1	48	-1.0	-42.94	377.73	6.83	-36.11
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CCCC2)=NO1	REAL300020147091	0	45	-1.0	-43.14	359.38	6.14	-37.00
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CCCC2)=NO1	REAL300020147091	1	45	-1.0	-43.13	359.43	6.17	-36.96
CC(C)COC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147092	0	46	-1.0	-40.58	380.79	6.97	-33.61
CC(C)COC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147092	1	46	-1.0	-40.58	380.85	6.99	-33.59
CN1C=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCO2)C=N1	REAL300020147093	0	44	-1.0	-38.13	340.06	3.26	-34.87
CN1C=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCO2)C=N1	REAL300020147093	1	44	-1.0	-38.12	340.00	3.23	-34.89
O=C(CC1=CC=C2OC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147094	0	39	-1.0	-52.72	326.46	2.94	-49.78
O=C(CC1=CC=C2OC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147094	1	39	-1.0	-52.69	326.51	2.97	-49.72
CC(C)(C)CN1C(=O)NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020147095	0	52	-1.0	-54.81	401.40	5.71	-49.10
CC(C)(C)CN1C(=O)NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020147095	1	52	-1.0	-54.77	401.46	5.73	-49.04
O=C(C1=C2COCCN2C(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147096	0	48	-1.0	-49.65	377.41	6.30	-43.35
O=C(C1=C2COCCN2C(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147096	1	48	-1.0	-49.70	377.35	6.28	-43.42
O=C(C1=C2C(=CC=C1)C=CN2CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147097	0	50	-1.0	-47.32	397.87	9.60	-37.72
O=C(C1=C2C(=CC=C1)C=CN2CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147097	1	50	-1.0	-47.32	397.93	9.63	-37.69
C=CCCCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147098	0	46	-1.0	-45.91	369.19	8.01	-37.90
C=CCCCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147098	1	46	-1.0	-45.91	369.25	8.03	-37.88
O=C(C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147099	0	43	-1.0	-40.67	361.54	6.79	-33.88
O=C(C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147099	1	43	-1.0	-40.66	361.48	6.77	-33.89
O=C(C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1)N1CCCCC1	REAL300020147100	0	50	-1.0	-58.64	382.71	6.30	-52.34
O=C(C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1)N1CCCCC1	REAL300020147100	1	50	-1.0	-58.59	382.77	6.32	-52.27
CCCCCCCSC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147101	0	55	-1.0	-44.87	439.54	10.21	-34.66
CCCCCCCSC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147101	1	55	-1.0	-44.87	439.60	10.24	-34.63
O=C(C1CCC2(CC2(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147102	0	43	-1.0	-37.49	328.89	6.03	-31.46
O=C(C1CCC2(CC2(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147102	1	43	-1.0	-37.49	328.95	6.06	-31.43
O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147103	0	45	-1.0	-60.80	363.29	2.52	-58.28
O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147103	1	45	-1.0	-60.78	363.35	2.55	-58.23
CCOC(=O)C1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147104	0	39	-1.0	-38.11	327.56	2.76	-35.35
CCOC(=O)C1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147104	1	39	-1.0	-38.12	327.62	2.78	-35.34
O=C(CSC1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147105	0	36	-1.0	-47.18	311.33	4.39	-42.79
O=C(CSC1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147105	1	36	-1.0	-47.20	311.27	4.37	-42.83
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147106	0	49	0.0	-68.34	372.49	7.53	-60.81
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147106	1	49	0.0	-68.38	371.78	7.47	-60.91
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147106	1	49	0.0	-68.34	372.54	7.56	-60.78
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147106	1	49	0.0	-68.42	371.83	7.50	-60.92
CC(C)(C)OC(=O)N1CCC(C(O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147107	0	57	-1.0	-46.53	416.16	3.98	-42.55
CC(C)(C)OC(=O)N1CCC(C(O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147107	1	57	-1.0	-46.52	416.22	4.00	-42.52
O=C(C1=CC=C(C2(O)COC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147108	0	42	-1.0	-46.05	336.31	1.51	-44.54
O=C(C1=CC=C(C2(O)COC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147108	1	42	-1.0	-46.02	336.37	1.53	-44.49
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1Cl	REAL300020147109	0	33	-1.0	-38.65	303.96	3.72	-34.93
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1Cl	REAL300020147109	1	33	-1.0	-38.64	303.90	3.69	-34.95
CC(C)(C)OC(=O)N1CC(C)(C)CC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147110	0	59	-1.0	-47.60	442.47	6.70	-40.90
CC(C)(C)OC(=O)N1CC(C)(C)CC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147110	1	59	-1.0	-47.59	442.53	6.72	-40.87
O=C(CC(C(F)F)N1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147111	0	45	-1.0	-45.54	344.44	1.88	-43.66
O=C(CC(C(F)F)N1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147111	1	45	-1.0	-45.56	344.50	1.90	-43.66
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(C2=CC=CN=C2)=N1	REAL300020147112	0	42	-1.0	-45.91	343.82	4.17	-41.74
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC(C2=CC=CN=C2)=N1	REAL300020147112	1	42	-1.0	-45.86	343.88	4.20	-41.66
CC1=CC(C)=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020147113	0	41	-1.0	-44.50	343.40	5.17	-39.33
CC1=CC(C)=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020147113	1	41	-1.0	-44.49	343.46	5.19	-39.30
O=C(C1=C2NCCCN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147114	0	39	-1.0	-47.72	310.59	1.89	-45.83
O=C(C1=C2NCCCN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147114	1	39	-1.0	-47.72	310.53	1.87	-45.85
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CN=C1C(F)(F)F	REAL300020147115	0	37	-1.0	-43.63	313.73	1.98	-41.65
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CN=C1C(F)(F)F	REAL300020147115	1	37	-1.0	-43.63	313.67	1.95	-41.68
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147116	0	53	-1.0	-54.39	395.58	5.32	-49.07
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147116	1	53	-1.0	-54.41	395.63	5.34	-49.07
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N=C1	REAL300020147117	0	44	-1.0	-45.60	353.52	6.18	-39.42
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N=C1	REAL300020147117	1	44	-1.0	-45.55	353.46	6.16	-39.39
CC1=CC=CC=C1CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020147118	0	55	-1.0	-47.88	423.45	10.51	-37.37
CC1=CC=CC=C1CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020147118	1	55	-1.0	-47.89	423.51	10.54	-37.35
COC1(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020147119	0	46	-1.0	-41.31	340.82	5.44	-35.87
COC1(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020147119	1	46	-1.0	-41.34	340.88	5.47	-35.87
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCO2)CCCO1	REAL300020147120	0	45	-1.0	-47.12	333.41	3.74	-43.38
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCO2)CCCO1	REAL300020147120	1	45	-1.0	-47.14	333.47	3.76	-43.38
O=C(C=CC1=CC=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147121	0	37	-1.0	-49.43	315.38	6.04	-43.39
O=C(C=CC1=CC=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147121	1	37	-1.0	-49.43	315.44	6.06	-43.37
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020147122	0	40	-1.0	-46.26	319.96	4.49	-41.77
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020147122	1	40	-1.0	-46.27	320.02	4.51	-41.76
CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147123	0	49	-1.0	-50.20	385.21	1.67	-48.53
CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147123	1	49	-1.0	-50.18	385.26	1.70	-48.48
O=C(CCC1=CN=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147124	0	38	-1.0	-45.45	332.33	5.10	-40.35
O=C(CCC1=CN=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147124	1	38	-1.0	-45.51	332.27	5.08	-40.43
O=C(C1=CC(F)=CC(OC(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147125	0	37	-1.0	-45.54	315.59	4.06	-41.48
O=C(C1=CC(F)=CC(OC(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147125	1	37	-1.0	-45.52	315.65	4.09	-41.43
CCCCCCCCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147126	0	57	-1.0	-45.35	442.38	10.57	-34.78
CCCCCCCCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147126	1	57	-1.0	-45.36	442.43	10.59	-34.77
O=C(C1C2CC1(C1=CC=CN=C1)CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147127	0	46	-1.0	-51.51	349.89	6.25	-45.26
O=C(C1C2CC1(C1=CC=CN=C1)CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147127	1	46	-1.0	-51.54	349.84	6.23	-45.31
COCC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020147128	0	46	-1.0	-44.92	343.89	4.73	-40.19
COCC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020147128	1	46	-1.0	-44.93	343.94	4.75	-40.18
CC(C)(C)C1=CN=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147129	0	44	-1.0	-45.99	358.03	5.42	-40.57
CC(C)(C)C1=CN=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147129	1	44	-1.0	-45.97	357.97	5.40	-40.57
CC1(C)OC(=O)C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020147130	0	43	-1.0	-48.51	350.23	6.11	-42.40
CC1(C)OC(=O)C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020147130	1	43	-1.0	-48.52	350.28	6.14	-42.38
O=C(C1=CC(C2=C(F)C=CC=C2F)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147131	0	39	-1.0	-46.08	333.73	5.76	-40.32
O=C(C1=CC(C2=C(F)C=CC=C2F)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147131	1	39	-1.0	-46.08	333.67	5.73	-40.35
NC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147132	0	39	-1.0	-46.43	334.59	1.01	-45.42
NC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147132	1	39	-1.0	-46.43	334.64	1.04	-45.39
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147133	0	50	-1.0	-52.82	386.37	0.59	-52.23
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147133	1	50	-1.0	-52.82	386.43	0.62	-52.20
O=C(C1=CC=CC(CCl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147134	0	36	-1.0	-47.07	308.48	5.70	-41.37
O=C(C1=CC=CC(CCl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147134	1	36	-1.0	-47.10	308.54	5.73	-41.37
N#CC1=C(N)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020147135	0	36	-1.0	-53.36	310.79	2.10	-51.26
N#CC1=C(N)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020147135	1	36	-1.0	-53.34	310.74	2.07	-51.27
CC1CCC(NC(=O)OC(C)(C)C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147136	0	56	-1.0	-53.39	413.08	5.44	-47.95
CC1CCC(NC(=O)OC(C)(C)C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147136	1	56	-1.0	-53.36	413.14	5.47	-47.89
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCCCO1	REAL300020147137	0	47	-1.0	-38.15	352.61	6.52	-31.63
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCCCO1	REAL300020147137	1	47	-1.0	-38.15	352.67	6.54	-31.61
C#CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCO1	REAL300020147138	0	42	-1.0	-44.62	307.31	4.32	-40.30
C#CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCO1	REAL300020147138	1	42	-1.0	-44.63	307.37	4.35	-40.28
CN1N=C(C2CCOCC2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147139	0	47	-1.0	-43.56	362.47	3.55	-40.01
CN1N=C(C2CCOCC2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147139	1	47	-1.0	-43.57	362.53	3.57	-40.00
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147140	0	43	-1.0	-51.11	350.43	6.99	-44.12
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147140	1	43	-1.0	-51.15	350.37	6.96	-44.19
O=C(C1=NN2C=CNC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147141	0	36	-1.0	-54.84	303.06	1.68	-53.16
O=C(C1=NN2C=CNC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147141	1	36	-1.0	-54.85	303.12	1.70	-53.15
COC(=O)C1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020147142	0	41	-1.0	-45.59	332.78	3.76	-41.83
COC(=O)C1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020147142	1	41	-1.0	-45.63	332.84	3.79	-41.84
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1F	REAL300020147143	0	43	-1.0	-50.25	354.39	6.76	-43.49
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1F	REAL300020147143	1	43	-1.0	-50.27	354.45	6.79	-43.48
CC(=O)NC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147144	0	46	-1.0	-41.76	355.26	3.18	-38.58
CC(=O)NC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147144	1	46	-1.0	-41.80	355.32	3.21	-38.59
CN(C)C(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020147145	0	42	-1.0	-45.65	337.61	3.55	-42.10
CN(C)C(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020147145	1	42	-1.0	-45.60	337.55	3.53	-42.07
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C2C1=O	REAL300020147146	0	41	-1.0	-40.63	335.25	5.67	-34.96
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C2C1=O	REAL300020147146	1	41	-1.0	-40.67	335.31	5.69	-34.98
CNC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147147	0	42	-1.0	-46.78	356.52	2.45	-44.33
CNC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147147	1	42	-1.0	-46.80	356.58	2.48	-44.32
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300020147148	0	40	-1.0	-51.37	329.74	4.75	-46.62
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300020147148	1	40	-1.0	-51.38	329.80	4.78	-46.60
CN1C=C(Br)C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147149	0	36	-1.0	-50.81	318.43	3.71	-47.10
CN1C=C(Br)C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147149	1	36	-1.0	-50.79	318.48	3.73	-47.06
O=C(C1CCC(C(F)(F)F)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147150	0	38	-1.0	-45.40	311.06	1.68	-43.72
O=C(C1CCC(C(F)(F)F)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147150	1	38	-1.0	-45.43	311.11	1.71	-43.72
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=CC=CC=C21	REAL300020147151	0	42	-1.0	-41.20	342.90	7.16	-34.04
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=CC=CC=C21	REAL300020147151	1	42	-1.0	-41.22	342.96	7.19	-34.03
C[C@H](CC1CCCCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147152	0	48	-1.0	-45.83	350.29	6.70	-39.13
C[C@H](CC1CCCCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147152	1	48	-1.0	-45.86	350.34	6.73	-39.13
O=C(CN1C=CC2=CC(Br)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147153	0	40	-1.0	-50.77	349.20	7.47	-43.30
O=C(CN1C=CC2=CC(Br)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147153	1	40	-1.0	-50.77	349.26	7.50	-43.27
O=C(C1=NN2C=CC=C(Br)C2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147154	0	35	-1.0	-47.47	314.28	5.09	-42.38
O=C(C1=NN2C=CC=C(Br)C2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147154	1	35	-1.0	-47.53	314.22	5.06	-42.47
CC1=CC(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020147155	0	39	-1.0	-51.20	325.36	4.03	-47.17
CC1=CC(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020147155	1	39	-1.0	-51.19	325.42	4.06	-47.13
CC1=CC=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C12	REAL300020147156	0	41	-1.0	-39.78	331.99	5.70	-34.08
CC1=CC=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C12	REAL300020147156	1	41	-1.0	-39.78	331.94	5.67	-34.11
CCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020147157	0	42	-1.0	-48.07	337.13	4.45	-43.62
CCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020147157	1	42	-1.0	-48.08	337.19	4.47	-43.61
CCCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020147158	0	42	-1.0	-45.60	335.59	4.34	-41.26
CCCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020147158	1	42	-1.0	-45.56	335.64	4.37	-41.19
COC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020147159	0	44	-1.0	-47.91	350.40	5.76	-42.15
COC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020147159	1	44	-1.0	-47.91	350.46	5.79	-42.12
CC(C)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020147160	0	46	-1.0	-49.68	346.24	3.26	-46.42
CC(C)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020147160	1	46	-1.0	-49.63	346.30	3.29	-46.34
CC1=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=CC(Br)=C1	REAL300020147161	0	40	-1.0	-43.85	343.32	6.15	-37.70
CC1=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=CC(Br)=C1	REAL300020147161	1	40	-1.0	-43.84	343.38	6.17	-37.67
NC1=C(Cl)N=CN=C1NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147162	0	38	-1.0	-44.23	326.14	1.52	-42.71
NC1=C(Cl)N=CN=C1NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147162	1	38	-1.0	-44.23	326.08	1.50	-42.73
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NN=C1C(F)(F)F	REAL300020147163	0	36	-1.0	-40.83	316.07	2.64	-38.19
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NN=C1C(F)(F)F	REAL300020147163	1	36	-1.0	-40.82	316.13	2.66	-38.16
CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147164	0	47	-1.0	-47.59	367.22	-0.08	-47.67
CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147164	1	47	-1.0	-47.58	367.28	-0.06	-47.64
O=C(C1=CC=NC=C1N1C=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147165	0	39	-1.0	-52.48	319.56	4.33	-48.15
O=C(C1=CC=NC=C1N1C=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147165	1	39	-1.0	-52.52	319.50	4.30	-48.22
O=C(C1=CSC(C2=CNC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147166	0	36	-1.0	-53.87	315.34	3.58	-50.29
O=C(C1=CSC(C2=CNC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147166	1	36	-1.0	-53.89	315.39	3.61	-50.28
NS(=O)(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020147167	0	38	-1.0	-43.48	302.17	-1.54	-45.02
NS(=O)(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020147167	1	38	-1.0	-43.47	302.22	-1.52	-44.99
O=C(CC1=NC(C(F)(F)F)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147168	0	35	-1.0	-50.03	320.13	3.56	-46.47
O=C(CC1=NC(C(F)(F)F)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147168	1	35	-1.0	-50.02	320.19	3.58	-46.44
CC1=CC=CC=C1C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020147169	0	49	-1.0	-48.09	378.36	8.90	-39.19
CC1=CC=CC=C1C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020147169	1	49	-1.0	-48.14	378.42	8.93	-39.21
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020147170	0	42	-1.0	-46.06	343.69	5.70	-40.36
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020147170	1	42	-1.0	-46.05	343.75	5.72	-40.33
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020147171	0	39	-1.0	-38.86	339.88	5.57	-33.29
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020147171	1	39	-1.0	-38.89	339.94	5.59	-33.30
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1(C)C	REAL300020147172	0	59	-1.0	-53.32	414.97	6.02	-47.30
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1(C)C	REAL300020147172	1	59	-1.0	-53.37	415.03	6.05	-47.32
O=C(C1=CC(Cl)=NC=C1OCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147173	0	39	-1.0	-49.58	353.06	3.91	-45.67
O=C(C1=CC(Cl)=NC=C1OCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147173	1	39	-1.0	-49.57	353.00	3.89	-45.68
CC(C)(C)OC(=O)N1OC2CCCC2C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147174	0	55	-1.0	-57.85	412.92	5.56	-52.29
CC(C)(C)OC(=O)N1OC2CCCC2C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147174	1	55	-1.0	-57.81	412.98	5.59	-52.22
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCOC1	REAL300020147175	0	54	-1.0	-43.38	403.09	2.42	-40.96
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCOC1	REAL300020147175	1	54	-1.0	-43.42	403.15	2.45	-40.97
CC[C@H](C)[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020147176	0	58	-1.0	-53.67	432.30	5.58	-48.09
CC[C@H](C)[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020147176	1	58	-1.0	-53.67	432.36	5.60	-48.07
CC1=CC(Cl)=CC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147177	0	39	-1.0	-43.22	329.98	6.18	-37.04
CC1=CC(Cl)=CC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147177	1	39	-1.0	-43.24	330.04	6.21	-37.03
CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147178	0	46	-1.0	-48.47	350.05	3.58	-44.89
CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147178	1	46	-1.0	-48.45	350.11	3.61	-44.84
O=C(C1CC2(C1)CC1(CCC1)C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147179	0	47	-1.0	-45.78	358.29	7.40	-38.38
O=C(C1CC2(C1)CC1(CCC1)C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147179	1	47	-1.0	-45.81	358.34	7.42	-38.39
CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147180	0	59	-1.0	-55.96	433.45	6.91	-49.05
CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147180	1	59	-1.0	-55.97	433.51	6.93	-49.04
O=C(C1=CC(C2CC2)=NC2=CC=NN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147181	0	42	-1.0	-49.16	349.01	5.68	-43.48
O=C(C1=CC(C2CC2)=NC2=CC=NN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147181	1	42	-1.0	-49.23	349.07	5.71	-43.52
O=C(CON=C1CCCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147182	0	46	-1.0	-49.27	353.55	6.14	-43.13
O=C(CON=C1CCCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147182	1	46	-1.0	-49.28	353.60	6.17	-43.11
O=C(CC(N1CCOCC1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147183	0	45	-1.0	-45.18	348.07	2.08	-43.10
O=C(CC(N1CCOCC1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147183	1	45	-1.0	-45.19	348.13	2.10	-43.09
COC(=O)C1(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147184	0	42	-1.0	-53.78	334.38	4.81	-48.97
COC(=O)C1(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147184	1	42	-1.0	-53.74	334.43	4.84	-48.90
O=C(C1=C2SC=CC2=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147185	0	35	-1.0	-48.14	299.96	3.94	-44.20
O=C(C1=C2SC=CC2=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147185	1	35	-1.0	-48.11	299.91	3.92	-44.19
CN1CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2NC1=O	REAL300020147186	0	43	-1.0	-41.27	344.25	3.58	-37.69
CN1CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2NC1=O	REAL300020147186	1	43	-1.0	-41.30	344.31	3.61	-37.69
CC1=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020147187	0	36	-1.0	-45.96	326.13	5.58	-40.38
CC1=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020147187	1	36	-1.0	-45.95	326.19	5.60	-40.35
CC(C)N1C=NN=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147188	0	41	-1.0	-56.01	330.58	5.60	-50.41
CC(C)N1C=NN=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147188	1	41	-1.0	-56.00	330.64	5.63	-50.37
COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147189	0	55	-1.0	-60.80	425.71	4.44	-56.36
COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147189	1	55	-1.0	-60.85	425.77	4.46	-56.39
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147190	0	52	-1.0	-50.38	405.51	4.13	-46.25
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147190	1	52	-1.0	-50.37	405.56	4.16	-46.21
CC1(C)C2CCC1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CC2	REAL300020147191	0	46	-1.0	-46.18	321.80	5.70	-40.48
CC1(C)C2CCC1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CC2	REAL300020147191	1	46	-1.0	-46.16	321.86	5.72	-40.44
CC(F)(F)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020147192	0	43	-1.0	-42.16	312.71	2.94	-39.22
CC(F)(F)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020147192	1	43	-1.0	-42.18	312.77	2.97	-39.21
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1N	REAL300020147193	0	41	-1.0	-43.32	335.73	2.50	-40.82
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1N	REAL300020147193	1	41	-1.0	-43.34	335.78	2.53	-40.81
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCO2)CCC1	REAL300020147194	0	44	-1.0	-50.88	316.14	4.01	-46.87
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCO2)CCC1	REAL300020147194	1	44	-1.0	-50.86	316.20	4.03	-46.83
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12CC(=O)N[C@H]1CCCC2	REAL300020147195	0	44	-1.0	-40.84	322.69	1.83	-39.01
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12CC(=O)N[C@H]1CCCC2	REAL300020147195	1	44	-1.0	-40.84	322.75	1.85	-38.99
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCCO2)CCCO1	REAL300020147196	0	48	-1.0	-47.48	343.56	3.85	-43.63
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCCO2)CCCO1	REAL300020147196	1	48	-1.0	-47.48	343.62	3.88	-43.60
CC1=CC=CC(C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2CCCCC2)=C1	REAL300020147197	0	55	-1.0	-47.03	411.49	9.55	-37.48
CC1=CC=CC(C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2CCCCC2)=C1	REAL300020147197	1	55	-1.0	-47.06	411.55	9.57	-37.49
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC(F)=C2)=N1	REAL300020147198	0	43	-1.0	-53.06	360.49	5.84	-47.22
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC(F)=C2)=N1	REAL300020147198	1	43	-1.0	-53.07	360.44	5.82	-47.25
CS(=O)(=O)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020147199	0	36	-1.0	-53.31	319.85	2.06	-51.25
CS(=O)(=O)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020147199	1	36	-1.0	-53.27	319.91	2.08	-51.19
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CSC=C2)=NO1	REAL300020147200	0	39	-1.0	-44.20	341.36	5.45	-38.75
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CSC=C2)=NO1	REAL300020147200	1	39	-1.0	-44.14	341.30	5.43	-38.71
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147201	0	41	-1.0	-50.48	349.19	6.41	-44.07
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147201	1	41	-1.0	-50.45	349.13	6.38	-44.07
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020147202	0	59	-1.0	-52.65	438.22	5.86	-46.79
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020147202	1	59	-1.0	-52.68	438.28	5.88	-46.80
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147203	0	51	-1.0	-48.26	390.70	1.85	-46.41
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147203	1	51	-1.0	-48.24	390.76	1.88	-46.36
O=C(C1=CC=C(C2CCC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147204	0	42	-1.0	-46.69	329.11	5.11	-41.58
O=C(C1=CC=C(C2CCC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147204	1	42	-1.0	-46.68	329.17	5.13	-41.55
CC1=CN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020147205	0	36	-1.0	-43.79	309.28	4.90	-38.89
CC1=CN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020147205	1	36	-1.0	-43.84	309.34	4.92	-38.92
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020147206	0	42	-1.0	-49.40	346.20	6.97	-42.43
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020147206	1	42	-1.0	-49.42	346.25	6.99	-42.43
O=C(C(O)C1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147207	0	37	-1.0	-48.07	313.94	3.64	-44.43
O=C(C(O)C1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147207	1	37	-1.0	-48.06	314.00	3.67	-44.39
CC1=CC=C2SC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=C1	REAL300020147208	0	41	-1.0	-40.08	338.17	6.92	-33.16
CC1=CC=C2SC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=C1	REAL300020147208	1	41	-1.0	-40.07	338.22	6.95	-33.12
O=C(CC1=CC=C(C2CCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147209	0	46	-1.0	-47.45	360.46	8.04	-39.41
O=C(CC1=CC=C(C2CCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147209	1	46	-1.0	-47.41	360.52	8.06	-39.35
O=C(C1=C(C(F)(F)F)OC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147210	0	39	-1.0	-45.39	341.31	6.18	-39.21
O=C(C1=C(C(F)(F)F)OC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147210	1	39	-1.0	-45.38	341.37	6.21	-39.17
O=C(C1=CC=NC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147211	0	41	-1.0	-44.38	336.59	6.49	-37.89
O=C(C1=CC=NC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147211	1	41	-1.0	-44.35	336.54	6.47	-37.88
O=C(C1=CC2=C(O)C=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147212	0	40	-1.0	-41.36	326.10	3.90	-37.46
O=C(C1=CC2=C(O)C=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147212	1	40	-1.0	-41.39	326.16	3.93	-37.46
CC(C)(C)OC(=O)N1C=CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147213	0	51	-1.0	-48.97	386.69	6.05	-42.92
CC(C)(C)OC(=O)N1C=CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147213	1	51	-1.0	-48.94	386.75	6.08	-42.86
CC(C)(C)OC(=O)N1CCOC2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C21	REAL300020147214	0	52	-1.0	-52.05	393.00	4.40	-47.65
CC(C)(C)OC(=O)N1CCOC2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C21	REAL300020147214	1	52	-1.0	-52.06	393.06	4.43	-47.63
COC[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020147215	0	53	-1.0	-51.70	412.98	2.67	-49.03
COC[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020147215	1	53	-1.0	-51.66	413.04	2.69	-48.97
CC1=CC(C2CC2)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147216	0	42	-1.0	-43.69	332.97	5.25	-38.44
CC1=CC(C2CC2)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147216	1	42	-1.0	-43.70	333.02	5.27	-38.43
O=C(C1=CC=C2CNC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147217	0	40	-1.0	-49.76	324.25	1.48	-48.28
O=C(C1=CC=C2CNC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147217	1	40	-1.0	-49.72	324.31	1.50	-48.22
O=C(C1C2CC1(C1=CC=CC=N1)CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147218	0	46	-1.0	-50.06	355.87	6.54	-43.52
O=C(C1C2CC1(C1=CC=CC=N1)CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147218	1	46	-1.0	-50.08	355.81	6.52	-43.56
O=C(C1=C2N[C@@H](C3CC3)C[C@@H](C(F)F)N2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147219	0	49	-1.0	-46.43	390.63	5.60	-40.83
O=C(C1=C2N[C@@H](C3CC3)C[C@@H](C(F)F)N2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147219	1	49	-1.0	-46.43	390.57	5.58	-40.85
CC(C)(C)OC(=O)N1CCCC2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C21	REAL300020147220	0	54	-1.0	-49.73	409.82	6.27	-43.46
CC(C)(C)OC(=O)N1CCCC2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C21	REAL300020147220	1	54	-1.0	-49.76	409.88	6.30	-43.46
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020147221	0	50	-1.0	-43.43	376.92	4.16	-39.27
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020147221	1	50	-1.0	-43.45	376.98	4.18	-39.27
COC(=O)C[C@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020147222	0	55	-1.0	-50.15	427.56	4.45	-45.70
COC(=O)C[C@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020147222	1	55	-1.0	-50.15	427.61	4.48	-45.67
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CO2	REAL300020147223	0	55	-1.0	-51.89	423.75	3.91	-47.98
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CO2	REAL300020147223	1	55	-1.0	-51.87	423.81	3.94	-47.93
CC1=NSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1NC(=O)OC(C)(C)C	REAL300020147224	0	49	-1.0	-39.40	395.79	2.99	-36.41
CC1=NSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1NC(=O)OC(C)(C)C	REAL300020147224	1	49	-1.0	-39.43	395.85	3.02	-36.41
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147225	0	56	-1.0	-45.89	411.60	5.27	-40.62
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147225	1	56	-1.0	-45.88	411.65	5.30	-40.58
CN1N=NC(CNC(=O)OC(C)(C)C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147226	0	52	-1.0	-44.92	419.00	1.26	-43.66
CN1N=NC(CNC(=O)OC(C)(C)C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147226	1	52	-1.0	-44.88	419.06	1.29	-43.59
O=C(C1=NN2C=C(Br)C=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147227	0	35	-1.0	-43.02	314.20	5.46	-37.56
O=C(C1=NN2C=C(Br)C=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147227	1	35	-1.0	-43.06	314.14	5.43	-37.63
O=C(C1=CSC(COC2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147228	0	43	-1.0	-46.34	365.82	5.55	-40.79
O=C(C1=CSC(COC2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147228	1	43	-1.0	-46.36	365.88	5.58	-40.78
CC1=CC=C(C(C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147229	0	45	-1.0	-45.51	350.95	7.38	-38.13
CC1=CC=C(C(C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147229	1	45	-1.0	-45.46	351.01	7.41	-38.05
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CN=CS1	REAL300020147230	0	32	-1.0	-41.49	288.32	2.73	-38.76
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CN=CS1	REAL300020147230	1	32	-1.0	-41.49	288.26	2.70	-38.79
O=C(C#CC12CC3CC(CC(C3)C1)C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147231	0	49	-1.0	-44.05	366.64	8.03	-36.02
O=C(C#CC12CC3CC(CC(C3)C1)C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147231	1	49	-1.0	-44.04	366.70	8.06	-35.98
O=C(C1=CC2=CC=C(Br)C(F)=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147232	0	37	-1.0	-42.57	327.81	5.54	-37.03
O=C(C1=CC2=CC=C(Br)C(F)=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147232	1	37	-1.0	-42.60	327.87	5.57	-37.03
CC1=C(C)C2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2)O1	REAL300020147233	0	40	-1.0	-39.72	322.64	4.39	-35.33
CC1=C(C)C2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2)O1	REAL300020147233	1	40	-1.0	-39.74	322.70	4.41	-35.33
CC1=C(Cl)C=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020147234	0	40	-1.0	-43.32	336.19	5.98	-37.34
CC1=C(Cl)C=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020147234	1	40	-1.0	-43.31	336.25	6.00	-37.31
COC1=CC=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N(C)C2=C1	REAL300020147235	0	44	-1.0	-46.73	348.47	5.25	-41.48
COC1=CC=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N(C)C2=C1	REAL300020147235	1	44	-1.0	-46.77	348.52	5.28	-41.49
O=C(C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020147236	0	37	-1.0	-56.07	332.38	4.66	-51.41
O=C(C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020147236	1	37	-1.0	-56.07	332.32	4.63	-51.44
COCC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020147237	0	39	-1.0	-47.76	320.56	0.43	-47.33
COCC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020147237	1	39	-1.0	-47.76	320.61	0.46	-47.30
COCC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300020147237	1	38	-2.0	-98.42	318.72	-0.60	-99.02
COCC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300020147237	1	38	-2.0	-98.39	318.78	-0.57	-98.96
NC(=O)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC=CC=C21	REAL300020147238	0	44	-1.0	-52.83	363.83	1.79	-51.04
NC(=O)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC=CC=C21	REAL300020147238	1	44	-1.0	-52.79	363.89	1.82	-50.97
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020147239	0	36	-1.0	-44.25	310.94	3.67	-40.58
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020147239	1	36	-1.0	-44.23	310.89	3.65	-40.58
O=C(C1=CN(C2CC2(F)F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147240	0	37	-1.0	-47.91	312.54	3.78	-44.13
O=C(C1=CN(C2CC2(F)F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147240	1	37	-1.0	-47.94	312.48	3.76	-44.18
CN1N=NC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C21	REAL300020147241	0	38	-1.0	-47.83	308.82	2.73	-45.10
CN1N=NC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C21	REAL300020147241	1	38	-1.0	-47.82	308.77	2.71	-45.11
CC(C)(C)OC(=O)N1CCC(C)(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147242	0	59	-1.0	-55.45	415.82	6.87	-48.58
CC(C)(C)OC(=O)N1CCC(C)(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147242	1	59	-1.0	-55.39	415.88	6.90	-48.49
O=C(COCCC1=CC=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147243	0	40	-1.0	-48.73	357.91	6.34	-42.39
O=C(COCCC1=CC=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147243	1	40	-1.0	-48.72	357.97	6.36	-42.36
CC1=CC=C(C)C(C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)C)=C1	REAL300020147244	0	51	-1.0	-47.64	384.39	8.04	-39.60
CC1=CC=C(C)C(C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)C)=C1	REAL300020147244	1	51	-1.0	-47.64	384.45	8.07	-39.57
O=C(C1=C(C2CCCC2)ON=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147245	0	52	-1.0	-43.77	415.61	9.07	-34.70
O=C(C1=C(C2CCCC2)ON=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147245	1	52	-1.0	-43.79	415.56	9.04	-34.75
CCC(F)(F)C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147246	0	41	-1.0	-53.42	307.15	4.43	-48.99
CCC(F)(F)C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147246	1	41	-1.0	-53.39	307.21	4.46	-48.93
O=C(C1=CN=C(C2CCOC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147247	0	40	-1.0	-44.67	332.86	2.41	-42.26
O=C(C1=CN=C(C2CCOC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147247	1	40	-1.0	-44.68	332.92	2.44	-42.24
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147248	0	40	-1.0	-52.82	326.70	4.53	-48.29
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147248	1	40	-1.0	-52.80	326.76	4.55	-48.25
COC1=CN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020147249	0	40	-1.0	-53.20	327.74	3.62	-49.58
COC1=CN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020147249	1	40	-1.0	-53.22	327.80	3.64	-49.58
O=C(C1CCCC2=C1NC=N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147250	0	40	-1.0	-48.88	313.62	4.53	-44.35
O=C(C1CCCC2=C1NC=N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147250	1	40	-1.0	-48.93	313.67	4.55	-44.38
O=C(C1CCN2N=CN=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147251	0	39	-1.0	-40.19	309.05	4.57	-35.62
O=C(C1CCN2N=CN=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147251	1	39	-1.0	-40.22	309.11	4.60	-35.62
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147252	0	43	-1.0	-53.43	363.29	5.60	-47.83
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147252	1	43	-1.0	-53.42	363.34	5.63	-47.79
O=C(C1=COC2=C1C(=O)NCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147253	0	38	-1.0	-64.66	313.25	1.30	-63.36
O=C(C1=COC2=C1C(=O)NCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147253	1	38	-1.0	-64.67	313.30	1.33	-63.34
O=C(C1=CC(C2=CC=C(F)C=C2)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147254	0	40	-1.0	-37.61	341.73	6.93	-30.68
O=C(C1=CC(C2=CC=C(F)C=C2)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147254	1	40	-1.0	-37.69	341.79	6.96	-30.73
CN1C=CC(C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NO2)=N1	REAL300020147255	0	39	-1.0	-47.30	330.62	3.81	-43.49
CN1C=CC(C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NO2)=N1	REAL300020147255	1	39	-1.0	-47.28	330.68	3.84	-43.44
O=C(COCCC1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147256	0	40	-1.0	-49.11	340.87	5.72	-43.39
O=C(COCCC1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147256	1	40	-1.0	-49.16	340.92	5.75	-43.41
CC1=CC(Br)=CC(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147257	0	42	-1.0	-47.19	350.08	7.10	-40.09
CC1=CC(Br)=CC(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147257	1	42	-1.0	-47.20	350.14	7.12	-40.08
O=C(C1=CN2C=CC=C(Br)C2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147258	0	36	-1.0	-50.85	318.97	6.40	-44.45
O=C(C1=CN2C=CC=C(Br)C2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147258	1	36	-1.0	-50.80	318.92	6.38	-44.42
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCOC1	REAL300020147259	0	44	-1.0	-50.64	329.89	3.03	-47.61
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCOC1	REAL300020147259	1	44	-1.0	-50.61	329.94	3.06	-47.55
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147260	0	47	-1.0	-47.84	358.67	8.14	-39.70
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147260	1	47	-1.0	-47.78	358.73	8.16	-39.62
CN1C=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020147261	0	40	-1.0	-48.11	324.29	6.20	-41.91
CN1C=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020147261	1	40	-1.0	-48.09	324.35	6.23	-41.86
O=C(C1=C(F)C=C2OC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147262	0	36	-1.0	-49.58	301.43	4.80	-44.78
O=C(C1=C(F)C=C2OC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147262	1	36	-1.0	-49.63	301.49	4.83	-44.80
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147263	0	52	-1.0	-46.99	413.32	3.04	-43.95
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147263	1	52	-1.0	-46.97	413.26	3.01	-43.96
CCN1N=CC(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147264	0	36	-1.0	-42.62	319.52	3.79	-38.83
CCN1N=CC(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147264	1	36	-1.0	-42.60	319.46	3.77	-38.83
CCN1C=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147265	0	36	-1.0	-42.73	313.09	4.29	-38.44
CCN1C=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147265	1	36	-1.0	-42.76	313.04	4.26	-38.50
CC(=O)N[C@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147266	0	46	-1.0	-41.02	354.22	3.15	-37.87
CC(=O)N[C@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147266	1	46	-1.0	-41.03	354.28	3.18	-37.85
O=C(C1=C(Cl)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147267	0	40	-1.0	-46.55	345.22	5.93	-40.62
O=C(C1=C(Cl)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147267	1	40	-1.0	-46.55	345.16	5.91	-40.64
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147268	0	43	-1.0	-47.11	343.26	7.45	-39.66
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147268	1	43	-1.0	-47.11	343.31	7.47	-39.64
O=C(C1=CC=C(C2CCCC(=O)N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147269	0	47	-1.0	-50.90	370.93	4.81	-46.09
O=C(C1=CC=C(C2CCCC(=O)N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147269	1	47	-1.0	-50.91	370.99	4.84	-46.07
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147270	0	46	-1.0	-52.09	378.97	7.12	-44.97
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147270	1	46	-1.0	-52.09	378.91	7.09	-45.00
CC1=C(C)C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2N=N1	REAL300020147271	0	43	-1.0	-42.51	341.51	4.75	-37.76
CC1=C(C)C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2N=N1	REAL300020147271	1	43	-1.0	-42.49	341.57	4.78	-37.71
O=C(C1CCCNS1(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147272	0	38	-1.0	-52.95	308.95	-1.15	-54.10
O=C(C1CCCNS1(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147272	1	38	-1.0	-52.92	309.00	-1.13	-54.05
CC1OC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C1C	REAL300020147273	0	44	-1.0	-46.05	347.55	5.64	-40.41
CC1OC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C1C	REAL300020147273	1	44	-1.0	-46.05	347.61	5.67	-40.38
CN1C=C(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300020147274	0	39	-1.0	-46.58	324.57	4.18	-42.40
CN1C=C(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300020147274	1	39	-1.0	-46.56	324.63	4.21	-42.35
CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147275	0	49	-1.0	-40.55	381.91	3.03	-37.52
CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147275	1	49	-1.0	-40.55	381.97	3.06	-37.49
COC1=CC=C2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CNC2=C1	REAL300020147276	0	44	-1.0	-51.82	356.04	4.80	-47.02
COC1=CC=C2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CNC2=C1	REAL300020147276	1	44	-1.0	-51.88	356.09	4.82	-47.06
CCCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL300020147277	0	42	-1.0	-44.38	337.02	5.70	-38.68
CCCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL300020147277	1	42	-1.0	-44.36	337.08	5.72	-38.64
CN1C=CC2=CC=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C21	REAL300020147278	0	39	-1.0	-46.96	318.35	4.32	-42.64
CN1C=CC2=CC=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C21	REAL300020147278	1	39	-1.0	-47.00	318.29	4.29	-42.71
O=C(CCC1=CC=C(Cl)C=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147279	0	39	-1.0	-45.03	349.97	7.23	-37.80
O=C(CCC1=CC=C(Cl)C=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147279	1	39	-1.0	-45.01	350.03	7.25	-37.76
CC(C)(C)OC(=O)NCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCOC1	REAL300020147280	0	57	-1.0	-49.36	427.98	3.22	-46.14
CC(C)(C)OC(=O)NCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCOC1	REAL300020147280	1	57	-1.0	-49.35	428.04	3.25	-46.10
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147281	0	59	-1.0	-55.94	433.37	6.90	-49.04
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147281	1	59	-1.0	-55.93	433.42	6.92	-49.01
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC(C)(C)C1	REAL300020147282	0	59	-1.0	-53.94	427.49	5.77	-48.17
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC(C)(C)C1	REAL300020147282	1	59	-1.0	-53.94	427.55	5.79	-48.15
CC1CCCC1(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147283	0	56	-1.0	-54.22	400.83	5.30	-48.92
CC1CCCC1(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147283	1	56	-1.0	-54.21	400.89	5.33	-48.88
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=NO1	REAL300020147284	0	48	-1.0	-44.21	392.36	7.85	-36.36
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=NO1	REAL300020147284	1	48	-1.0	-44.26	392.30	7.83	-36.43
CC1=CC=CC=C1C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300020147285	0	52	-1.0	-47.84	386.57	8.74	-39.10
CC1=CC=CC=C1C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020147285	1	52	-1.0	-47.85	386.63	8.77	-39.08
O=C(C1=C(C2CCC2)OC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147286	0	39	-1.0	-45.82	311.90	3.24	-42.58
O=C(C1=C(C2CCC2)OC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147286	1	39	-1.0	-45.81	311.84	3.21	-42.60
O=C(CCC1=C2CCCCC2=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147287	0	46	-1.0	-46.39	358.70	4.98	-41.41
O=C(CCC1=C2CCCCC2=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147287	1	46	-1.0	-46.36	358.76	5.00	-41.36
O=C(C1=C(F)C2=CC=CN=C2C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147288	0	38	-1.0	-47.36	334.14	5.53	-41.83
O=C(C1=C(F)C2=CC=CN=C2C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147288	1	38	-1.0	-47.34	334.08	5.50	-41.84
O=C(C=CC1=CC=C(C(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147289	0	37	-1.0	-41.79	320.71	5.21	-36.58
O=C(C=CC1=CC=C(C(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147289	1	37	-1.0	-41.77	320.76	5.23	-36.54
O=C(CCC1=CC=C(Cl)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147290	0	38	-1.0	-46.78	327.86	4.92	-41.86
O=C(CCC1=CC=C(Cl)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147290	1	38	-1.0	-46.80	327.81	4.90	-41.90
CC(C)(C)C1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147291	0	44	-1.0	-43.86	341.92	4.89	-38.97
CC(C)(C)C1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147291	1	44	-1.0	-43.84	341.87	4.87	-38.97
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147292	0	40	-1.0	-44.42	333.45	4.92	-39.50
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147292	1	40	-1.0	-44.42	333.51	4.94	-39.48
O=C(C=C1CCCC(C(F)(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147293	0	43	-1.0	-44.48	341.87	6.42	-38.06
O=C(C=C1CCCC(C(F)(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147293	1	43	-1.0	-44.50	341.93	6.44	-38.06
O=C(C=C1C2CC3CC(C2)CC1C3)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147294	0	48	-1.0	-37.36	345.51	7.25	-30.11
O=C(C=C1C2CC3CC(C2)CC1C3)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147294	1	48	-1.0	-37.40	345.57	7.28	-30.12
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020147295	0	42	-1.0	-38.60	351.63	7.40	-31.20
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020147295	1	42	-1.0	-38.60	351.69	7.42	-31.18
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147296	0	42	-1.0	-38.79	345.55	6.89	-31.90
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147296	1	42	-1.0	-38.78	345.61	6.92	-31.86
CCCCCCCCCC=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147297	0	54	-1.0	-45.97	418.70	9.26	-36.71
CCCCCCCCCC=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147297	1	54	-1.0	-45.99	418.75	9.29	-36.70
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)CO2	REAL300020147298	0	55	-1.0	-39.33	421.45	2.41	-36.92
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)CO2	REAL300020147298	1	55	-1.0	-39.31	421.51	2.43	-36.88
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147299	0	54	-1.0	-54.73	414.59	3.26	-51.47
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147299	1	54	-1.0	-54.69	414.65	3.29	-51.40
CC1=CC(Br)=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147300	0	35	-1.0	-43.65	309.96	4.02	-39.63
CC1=CC(Br)=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147300	1	35	-1.0	-43.74	309.91	4.00	-39.74
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020147301	0	42	-1.0	-44.19	348.72	6.82	-37.37
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020147301	1	42	-1.0	-44.17	348.78	6.85	-37.32
O=C(C1CCCC12CCOCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147302	0	47	-1.0	-47.05	335.44	4.47	-42.58
O=C(C1CCCC12CCOCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147302	1	47	-1.0	-47.05	335.50	4.50	-42.55
COC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020147303	0	39	-1.0	-42.16	335.22	2.29	-39.87
COC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020147303	1	39	-1.0	-42.21	335.16	2.27	-39.94
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147304	0	59	-1.0	-53.74	427.45	5.08	-48.66
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147304	1	59	-1.0	-53.75	427.51	5.10	-48.65
CC(C)(C)OC(=O)NCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCC1	REAL300020147305	0	59	-1.0	-52.15	441.37	5.71	-46.44
CC(C)(C)OC(=O)NCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCC1	REAL300020147305	1	59	-1.0	-52.14	441.43	5.74	-46.40
CC(C)(C)OC(=O)NC1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147306	0	54	-1.0	-49.37	409.78	3.41	-45.96
CC(C)(C)OC(=O)NC1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147306	1	54	-1.0	-49.38	409.84	3.43	-45.95
O=C(C1=CC2=NC=CC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147307	0	37	-1.0	-47.95	306.87	2.88	-45.07
O=C(C1=CC2=NC=CC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147307	1	37	-1.0	-47.95	306.81	2.86	-45.09
COCCC1=NC(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=NO1	REAL300020147308	0	48	-1.0	-46.51	397.95	3.63	-42.88
COCCC1=NC(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=NO1	REAL300020147308	1	48	-1.0	-46.53	397.90	3.61	-42.92
O=C(C1=CN(CC2CC(=O)C2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147309	0	41	-1.0	-52.71	340.09	3.34	-49.37
O=C(C1=CN(CC2CC(=O)C2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147309	1	41	-1.0	-52.67	340.03	3.32	-49.35
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N(C)N=C1	REAL300020147310	0	42	-1.0	-43.82	339.02	4.29	-39.53
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N(C)N=C1	REAL300020147310	1	42	-1.0	-43.82	338.97	4.27	-39.55
O=C(C1=NN2C(=C1)N=CC=C2C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147311	0	38	-1.0	-56.68	327.62	4.60	-52.08
O=C(C1=NN2C(=C1)N=CC=C2C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147311	1	38	-1.0	-56.67	327.67	4.63	-52.04
O=C(C1=CSC2=NC=CN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147312	0	33	-1.0	-45.34	291.27	4.18	-41.16
O=C(C1=CSC2=NC=CN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147312	1	33	-1.0	-45.38	291.21	4.16	-41.22
CC1(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CC1(F)F	REAL300020147313	0	43	-1.0	-47.09	347.73	7.04	-40.05
CC1(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC1(F)F	REAL300020147313	1	43	-1.0	-47.03	347.79	7.06	-39.97
O=C(CC1=CC2=CC=CN=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147314	0	41	-1.0	-52.09	335.88	5.84	-46.25
O=C(CC1=CC2=CC=CN=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147314	1	41	-1.0	-52.13	335.82	5.81	-46.32
O=C(C1=CN=C(C2CCC2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147315	0	42	-1.0	-46.00	337.87	3.36	-42.64
O=C(C1=CN=C(C2CCC2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147315	1	42	-1.0	-46.01	337.92	3.38	-42.63
NC(=O)C1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020147316	0	35	-1.0	-43.07	296.21	-1.50	-44.57
NC(=O)C1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020147316	1	35	-1.0	-43.16	296.15	-1.52	-44.68
CN1N=C(C2CCC2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147317	0	43	-1.0	-43.65	334.19	4.73	-38.92
CN1N=C(C2CCC2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147317	1	43	-1.0	-43.61	334.25	4.75	-38.86
O=C(C1=CC2=C(C=C(Cl)S2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147318	0	33	-1.0	-36.31	314.51	5.54	-30.77
O=C(C1=CC2=C(C=C(Cl)S2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147318	1	33	-1.0	-36.31	314.57	5.56	-30.75
O=C(C1=CC2=C(CCCC2)N=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147319	0	42	-1.0	-47.18	344.47	5.57	-41.61
O=C(C1=CC2=C(CCCC2)N=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147319	1	42	-1.0	-47.22	344.53	5.60	-41.62
COC(=O)C1CC2(C1)CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020147320	0	46	-1.0	-49.80	364.06	6.18	-43.62
COC(=O)C1CC2(C1)CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020147320	1	46	-1.0	-49.79	364.11	6.20	-43.59
O=C(C1=CC=C(C(F)(F)F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147321	0	36	-1.0	-44.14	322.29	5.85	-38.29
O=C(C1=CC=C(C(F)(F)F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147321	1	36	-1.0	-44.14	322.35	5.88	-38.26
O=C(C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147322	0	45	-1.0	-60.46	380.49	6.54	-53.92
O=C(C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147322	1	45	-1.0	-60.49	380.55	6.57	-53.92
CC(=O)NC1=CN=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147323	0	42	-1.0	-51.90	339.41	2.16	-49.74
CC(=O)NC1=CN=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147323	1	42	-1.0	-51.88	339.47	2.19	-49.69
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL300020147324	0	40	-1.0	-43.27	325.27	6.68	-36.59
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL300020147324	1	40	-1.0	-43.27	325.33	6.70	-36.57
CC1CCCN2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C12	REAL300020147325	0	46	-1.0	-53.41	358.51	5.98	-47.43
CC1CCCN2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C12	REAL300020147325	1	46	-1.0	-53.43	358.57	6.01	-47.42
CC1=CC(C)=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CN21	REAL300020147326	0	42	-1.0	-60.23	339.64	6.36	-53.87
CC1=CC(C)=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CN21	REAL300020147326	1	42	-1.0	-60.22	339.70	6.38	-53.84
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020147327	0	39	-1.0	-35.74	315.31	5.90	-29.84
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020147327	1	39	-1.0	-35.77	315.37	5.93	-29.84
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(Cl)S1	REAL300020147328	0	38	-1.0	-39.62	338.06	4.10	-35.52
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(Cl)S1	REAL300020147328	1	38	-1.0	-39.58	338.01	4.07	-35.51
O=C(CCC1=CC=C2OCC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147329	0	45	-1.0	-49.79	366.86	3.48	-46.31
O=C(CCC1=CC=C2OCC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147329	1	45	-1.0	-49.78	366.92	3.50	-46.28
O=C(CSCCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147330	0	36	-1.0	-47.59	318.85	5.02	-42.57
O=C(CSCCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147330	1	36	-1.0	-47.59	318.91	5.05	-42.54
O=C(C1CCCC2=NC=NN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147331	0	39	-1.0	-43.46	308.44	4.74	-38.72
O=C(C1CCCC2=NC=NN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147331	1	39	-1.0	-43.50	308.49	4.77	-38.73
CC(CCNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147332	0	52	-1.0	-48.06	399.13	3.40	-44.66
CC(CCNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147332	1	52	-1.0	-48.09	399.19	3.42	-44.67
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2(CCC2)C1	REAL300020147333	0	57	-1.0	-49.90	425.18	6.26	-43.64
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2(CCC2)C1	REAL300020147333	1	57	-1.0	-49.87	425.24	6.28	-43.59
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147334	0	56	-1.0	-56.84	421.44	6.19	-50.65
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147334	1	56	-1.0	-56.82	421.50	6.22	-50.60
NC1=NN2C=CC=CC2=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147335	0	38	-1.0	-49.51	317.57	3.32	-46.19
NC1=NN2C=CC=CC2=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147335	1	38	-1.0	-49.52	317.51	3.29	-46.23
C[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300020147336	0	49	-1.0	-46.26	369.96	4.42	-41.84
C[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300020147336	1	49	-1.0	-46.23	370.02	4.44	-41.79
O=C(CON1C(=O)C2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147337	0	41	-1.0	-57.33	354.03	5.58	-51.75
O=C(CON1C(=O)C2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147337	1	41	-1.0	-57.32	354.08	5.60	-51.72
O=C([C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147338	0	42	-1.0	-64.66	341.77	5.34	-59.32
O=C([C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147338	1	42	-1.0	-64.63	341.83	5.37	-59.26
CN1N=NC2=C1C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CCC2	REAL300020147339	0	42	-1.0	-50.89	325.21	3.20	-47.69
CN1N=NC2=C1C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CCC2	REAL300020147339	1	42	-1.0	-50.88	325.26	3.23	-47.65
O=C(C1=NC(Br)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147340	0	29	-1.0	-41.67	276.84	2.93	-38.74
O=C(C1=NC(Br)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147340	1	29	-1.0	-41.60	276.78	2.90	-38.70
CN1C=CN=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147341	0	36	-1.0	-49.02	301.04	4.32	-44.70
CN1C=CN=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147341	1	36	-1.0	-49.05	300.99	4.30	-44.75
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147342	0	50	-1.0	-55.21	382.84	5.55	-49.66
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147342	1	50	-1.0	-55.27	382.90	5.58	-49.69
CC(C)(OCC(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147343	0	39	-1.0	-46.41	316.44	3.47	-42.94
CC(C)(OCC(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147343	1	39	-1.0	-46.40	316.50	3.49	-42.91
O=C([C@@H]1CCC[C@H]1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147344	0	39	-1.0	-46.31	311.17	5.06	-41.25
O=C([C@@H]1CCC[C@H]1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147344	1	39	-1.0	-46.36	311.22	5.08	-41.28
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N=C1	REAL300020147345	0	41	-1.0	-45.71	333.80	5.44	-40.27
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N=C1	REAL300020147345	1	41	-1.0	-45.74	333.74	5.42	-40.32
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020147346	0	46	-1.0	-43.98	385.17	7.29	-36.69
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020147346	1	46	-1.0	-43.92	385.23	7.31	-36.61
O=C(C1=CC2=CC=C(Cl)C=C2OC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147347	0	39	-1.0	-39.28	337.19	5.60	-33.68
O=C(C1=CC2=CC=C(Cl)C=C2OC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147347	1	39	-1.0	-39.27	337.25	5.62	-33.65
CCOC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020147348	0	42	-1.0	-52.93	339.60	4.02	-48.91
CCOC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020147348	1	42	-1.0	-53.01	339.66	4.05	-48.96
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=NC=CC=C2C=C1	REAL300020147349	0	41	-1.0	-53.94	334.63	5.58	-48.36
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=NC=CC=C2C=C1	REAL300020147349	1	41	-1.0	-53.91	334.69	5.61	-48.30
CC1(C)C2CCC1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CC2	REAL300020147350	0	46	-1.0	-46.18	321.80	5.70	-40.48
CC1(C)C2CCC1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CC2	REAL300020147350	1	46	-1.0	-46.16	321.86	5.72	-40.44
CS(=O)(=O)C1CCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147351	0	42	-1.0	-52.92	333.77	1.56	-51.36
CS(=O)(=O)C1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147351	1	42	-1.0	-52.91	333.82	1.59	-51.32
O=C(C(O)C1=CC=C(C2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147352	0	44	-1.0	-46.48	345.59	5.27	-41.21
O=C(C(O)C1=CC=C(C2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147352	1	44	-1.0	-46.52	345.65	5.30	-41.22
COC1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020147353	0	37	-1.0	-47.69	316.23	3.98	-43.71
COC1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020147353	1	37	-1.0	-47.73	316.29	4.01	-43.72
CC1=CC=CC=C1C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020147354	0	55	-1.0	-47.59	403.44	9.29	-38.30
CC1=CC=CC=C1C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020147354	1	55	-1.0	-47.57	403.50	9.32	-38.25
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2)CCC2=CC=CC=C21	REAL300020147355	0	53	-1.0	-47.84	396.54	9.67	-38.17
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2)CCC2=CC=CC=C21	REAL300020147355	1	53	-1.0	-47.84	396.60	9.70	-38.14
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020147356	0	53	0.0	-73.30	393.60	8.32	-64.98
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020147356	1	53	0.0	-77.57	396.48	8.34	-69.23
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020147356	1	53	0.0	-73.30	393.65	8.34	-64.96
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020147356	1	53	0.0	-77.64	396.54	8.36	-69.28
CN1C=CC(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147357	0	42	-1.0	-55.87	322.06	3.97	-51.90
CN1C=CC(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147357	1	42	-1.0	-55.89	322.00	3.94	-51.95
CCC1=NN(C)C(CC)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147358	0	45	-1.0	-46.75	358.71	4.78	-41.97
CCC1=NN(C)C(CC)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147358	1	45	-1.0	-46.78	358.77	4.81	-41.97
CC1=CC=C2C(=C1)CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)S2(=O)=O	REAL300020147359	0	43	-1.0	-47.58	356.91	3.24	-44.34
CC1=CC=C2C(=C1)CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)S2(=O)=O	REAL300020147359	1	43	-1.0	-47.58	356.96	3.27	-44.31
O=C(C=CC1=CC=C(F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147360	0	36	-1.0	-47.75	304.77	4.11	-43.64
O=C(C=CC1=CC=C(F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147360	1	36	-1.0	-47.75	304.83	4.13	-43.62
O=C(CC(NC1CC1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147361	0	41	-1.0	-44.82	337.99	3.27	-41.55
O=C(CC(NC1CC1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147361	1	41	-1.0	-44.82	338.05	3.29	-41.53
O=C(C1CC[N@@H+]2CCOCC12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147362	0	44	0.0	-72.30	325.73	3.29	-69.01
O=C(C1CC[N@H+]2CCOCC12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147362	1	44	0.0	-62.75	318.79	3.24	-59.51
O=C(C1CC[N@@H+]2CCOCC12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147362	1	44	0.0	-72.30	325.79	3.31	-68.99
O=C(C1CC[N@H+]2CCOCC12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147362	1	44	0.0	-62.68	318.85	3.27	-59.41
COC1=CC=CC=C1C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NO1	REAL300020147363	0	43	-1.0	-45.48	349.44	5.66	-39.82
COC1=CC=CC=C1C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NO1	REAL300020147363	1	43	-1.0	-45.42	349.38	5.63	-39.79
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(CC2=CC=CC=C2)=NO1	REAL300020147364	0	45	-1.0	-42.65	368.77	7.18	-35.47
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(CC2=CC=CC=C2)=NO1	REAL300020147364	1	45	-1.0	-42.66	368.82	7.20	-35.46
O=C(C1=CC2=C(F)C(Br)=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147365	0	37	-1.0	-46.70	327.91	5.57	-41.13
O=C(C1=CC2=C(F)C(Br)=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147365	1	37	-1.0	-46.73	327.97	5.59	-41.14
COC1=CC(C)=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020147366	0	44	-1.0	-45.42	350.96	4.80	-40.62
COC1=CC(C)=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020147366	1	44	-1.0	-45.43	351.02	4.83	-40.60
O=C(C1=CC2=CC=C(Cl)C(F)=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147367	0	37	-1.0	-42.85	323.41	5.45	-37.40
O=C(C1=CC2=CC=C(Cl)C(F)=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147367	1	37	-1.0	-42.86	323.46	5.47	-37.39
CN1N=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CN=C21	REAL300020147368	0	37	-1.0	-39.08	306.52	4.22	-34.86
CN1N=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CN=C21	REAL300020147368	1	37	-1.0	-39.10	306.46	4.20	-34.90
O=C(C1=CC=C(C2(F)COC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147369	0	41	-1.0	-48.66	330.59	4.22	-44.44
O=C(C1=CC=C(C2(F)COC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147369	1	41	-1.0	-48.65	330.65	4.24	-44.41
CC1=C(Cl)C2=NC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020147370	0	41	-1.0	-45.60	344.71	6.01	-39.59
CC1=C(Cl)C2=NC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020147370	1	41	-1.0	-45.62	344.77	6.03	-39.59
O=C(CN1C=CC2=CC=C(Br)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147371	0	40	-1.0	-50.97	349.13	7.48	-43.49
O=C(CN1C=CC2=CC=C(Br)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147371	1	40	-1.0	-51.00	349.19	7.51	-43.49
O=C(C1CCOC2(CCOCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147372	0	48	-1.0	-36.16	351.24	3.16	-33.00
O=C(C1CCOC2(CCOCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147372	1	48	-1.0	-36.17	351.30	3.18	-32.99
O=C(C1=CC2=C(SC=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147373	0	33	-1.0	-43.93	296.91	4.82	-39.11
O=C(C1=CC2=C(SC=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147373	1	33	-1.0	-43.97	296.97	4.84	-39.13
CC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147374	0	36	-1.0	-47.68	304.04	5.55	-42.13
CC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147374	1	36	-1.0	-47.71	304.10	5.58	-42.13
COC1=NN2C(=NN=C2CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147375	0	44	-1.0	-50.97	365.53	3.00	-47.97
COC1=NN2C(=NN=C2CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147375	1	44	-1.0	-51.02	365.59	3.03	-47.99
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020147376	0	38	-2.0	-83.00	324.04	4.88	-78.12
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020147376	1	38	-2.0	-82.98	324.10	4.91	-78.07
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147377	0	55	-1.0	-43.03	415.40	4.32	-38.71
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147377	1	55	-1.0	-43.04	415.46	4.35	-38.69
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N1C	REAL300020147378	0	43	-1.0	-49.88	348.12	6.83	-43.05
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N1C	REAL300020147378	1	43	-1.0	-49.85	348.17	6.85	-43.00
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300020147379	0	33	-1.0	-37.67	302.93	2.33	-35.34
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300020147379	1	33	-1.0	-37.69	302.98	2.35	-35.34
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147380	0	33	-2.0	-99.13	290.23	2.48	-96.65
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147380	1	33	-2.0	-99.13	290.28	2.51	-96.62
O=C(C1=CC=C(F)C(O)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147380	1	34	-1.0	-50.45	293.79	1.73	-48.72
O=C(C1=CC=C(F)C(O)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147380	1	34	-1.0	-50.44	293.85	1.75	-48.69
O=C(C1=COC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147381	0	37	-1.0	-43.98	307.13	4.72	-39.26
O=C(C1=COC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147381	1	37	-1.0	-43.97	307.18	4.75	-39.22
O=C(C1CC(=O)C2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147382	0	40	-1.0	-47.16	324.63	5.31	-41.85
O=C(C1CC(=O)C2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147382	1	40	-1.0	-47.14	324.69	5.34	-41.80
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(Br)S1	REAL300020147383	0	33	-1.0	-42.51	301.47	4.89	-37.62
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(Br)S1	REAL300020147383	1	33	-1.0	-42.53	301.53	4.92	-37.61
COC1=CC(C)=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)OC2=C1	REAL300020147384	0	43	-1.0	-41.59	348.83	5.11	-36.48
COC1=CC(C)=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)OC2=C1	REAL300020147384	1	43	-1.0	-41.60	348.88	5.13	-36.47
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOC1	REAL300020147385	0	57	-1.0	-48.29	425.85	3.84	-44.45
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOC1	REAL300020147385	1	57	-1.0	-48.26	425.91	3.86	-44.40
O=C(C1=CC2=CC=NC=C2C(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147386	0	38	-1.0	-43.00	321.32	1.89	-41.11
O=C(C1=CC2=CC=NC=C2C(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147386	1	38	-1.0	-42.99	321.37	1.91	-41.08
CC(C)(C)OC(=O)N1CCSC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147387	0	48	-1.0	-52.19	381.75	4.82	-47.37
CC(C)(C)OC(=O)N1CCSC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147387	1	48	-1.0	-52.16	381.81	4.84	-47.32
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=NN=C1	REAL300020147388	0	41	-1.0	-49.93	326.73	6.70	-43.23
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=NN=C1	REAL300020147388	1	41	-1.0	-49.91	326.68	6.67	-43.24
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1(O)CCOCC1	REAL300020147389	0	41	-1.0	-38.23	317.88	1.36	-36.87
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1(O)CCOCC1	REAL300020147389	1	41	-1.0	-38.24	317.94	1.38	-36.86
O=C(C1=C(Br)C(C(F)(F)F)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147390	0	33	-1.0	-39.70	313.68	2.52	-37.18
O=C(C1=C(Br)C(C(F)(F)F)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147390	1	33	-1.0	-39.66	313.74	2.54	-37.12
O=C(CS(=O)(=O)CCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147391	0	38	-1.0	-61.82	337.32	1.59	-60.23
O=C(CS(=O)(=O)CCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147391	1	38	-1.0	-61.84	337.37	1.62	-60.22
CN(C)C1=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020147392	0	44	-1.0	-48.71	352.34	6.28	-42.43
CN(C)C1=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020147392	1	44	-1.0	-48.70	352.39	6.31	-42.39
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147393	0	36	-2.0	-83.42	312.71	3.52	-79.90
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147393	1	36	-2.0	-83.39	312.77	3.55	-79.84
CC1=CC(O)=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147393	1	37	-1.0	-44.20	315.04	2.78	-41.42
CC1=CC(O)=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147393	1	37	-1.0	-44.22	315.10	2.81	-41.41
O=C(C1=CC(=O)NC2=NC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147394	0	38	-1.0	-45.12	319.62	2.70	-42.42
O=C(C1=CC(=O)NC2=NC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147394	1	38	-1.0	-45.16	319.67	2.72	-42.44
O=C(C1=C(Cl)C=CC2=CNN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147395	0	36	-1.0	-57.85	317.13	3.81	-54.04
O=C(C1=C(Cl)C=CC2=CNN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147395	1	36	-1.0	-57.85	317.19	3.83	-54.02
O=C(C1=C(Br)N2C=CC=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147396	0	36	-1.0	-46.46	316.18	6.31	-40.15
O=C(C1=C(Br)N2C=CC=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147396	1	36	-1.0	-46.48	316.12	6.28	-40.20
O=C(C1=NC2=C(COCC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147397	0	37	-1.0	-40.66	310.15	1.67	-38.99
O=C(C1=NC2=C(COCC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147397	1	37	-1.0	-40.67	310.21	1.70	-38.97
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147398	0	59	-1.0	-52.47	437.65	7.55	-44.92
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147398	1	59	-1.0	-52.48	437.71	7.57	-44.91
CCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC1=CC=CC=C1	REAL300020147399	0	48	-1.0	-48.48	368.52	8.06	-40.42
CCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020147399	1	48	-1.0	-48.49	368.58	8.08	-40.41
CC(C)=CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1O	REAL300020147400	0	47	-1.0	-46.93	374.32	5.04	-41.89
CC(C)=CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1O	REAL300020147400	1	47	-1.0	-46.91	374.37	5.06	-41.85
O=C(C1=COC2=C1NC(=O)CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147401	0	41	-1.0	-52.89	328.28	2.20	-50.69
O=C(C1=COC2=C1NC(=O)CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147401	1	41	-1.0	-52.97	328.33	2.22	-50.75
O=C(C1=CN=C2SC=CN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147402	0	33	-1.0	-47.89	285.55	3.94	-43.95
O=C(C1=CN=C2SC=CN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147402	1	33	-1.0	-47.90	285.49	3.91	-43.99
CC1=NC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020147403	0	38	-1.0	-46.33	322.77	4.18	-42.15
CC1=NC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020147403	1	38	-1.0	-46.33	322.83	4.21	-42.12
O=C(C1=CC=CC=C1N1C=CC(C2CC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147404	0	47	-1.0	-57.65	376.81	8.09	-49.56
O=C(C1=CC=CC=C1N1C=CC(C2CC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147404	1	47	-1.0	-57.62	376.87	8.12	-49.50
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2=CC=CC=C2C1	REAL300020147405	0	43	-1.0	-37.01	328.18	6.57	-30.44
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2=CC=CC=C2C1	REAL300020147405	1	43	-1.0	-37.02	328.23	6.60	-30.42
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(Cl)=C1	REAL300020147406	0	39	-1.0	-35.98	331.39	6.40	-29.58
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(Cl)=C1	REAL300020147406	1	39	-1.0	-35.99	331.45	6.42	-29.57
CC(C)(NC1=CC=CC=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147407	0	43	-1.0	-45.77	326.19	3.76	-42.01
CC(C)(NC1=CC=CC=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147407	1	43	-1.0	-45.76	326.25	3.78	-41.98
CC1=CC=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CC=C12	REAL300020147408	0	41	-1.0	-48.36	332.01	5.50	-42.86
CC1=CC=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CC=C12	REAL300020147408	1	41	-1.0	-48.38	331.96	5.48	-42.90
O=C(C1=CC2=CC=CC=C2N=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147409	0	38	-1.0	-40.65	326.78	5.25	-35.40
O=C(C1=CC2=CC=CC=C2N=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147409	1	38	-1.0	-40.61	326.73	5.22	-35.39
O=C(C1=CC2=CC=C(F)C=C2N=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147410	0	38	-1.0	-38.75	333.20	5.31	-33.44
O=C(C1=CC2=CC=C(F)C=C2N=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147410	1	38	-1.0	-38.74	333.14	5.29	-33.45
O=C(C1=CC2=CC=C(F)C=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147411	0	39	-1.0	-54.79	331.86	3.73	-51.06
O=C(C1=CC2=CC=C(F)C=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147411	1	39	-1.0	-54.83	331.92	3.76	-51.07
O=C(C1=NC(F)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147412	0	32	-1.0	-44.99	286.39	3.79	-41.20
O=C(C1=NC(F)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147412	1	32	-1.0	-45.01	286.33	3.77	-41.24
O=C(CN1N=CC2=NC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147413	0	38	-1.0	-54.28	318.10	3.11	-51.17
O=C(CN1N=CC2=NC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147413	1	38	-1.0	-54.26	318.05	3.09	-51.17
CCC(C)N1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147414	0	42	-1.0	-44.63	327.31	4.42	-40.21
CCC(C)N1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147414	1	42	-1.0	-44.65	327.25	4.40	-40.25
O=C(CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147415	0	52	-1.0	-49.48	422.17	9.89	-39.59
O=C(CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147415	1	52	-1.0	-49.48	422.23	9.92	-39.56
O=C(C1=CN=CC2=CC=C(F)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147416	0	38	-1.0	-51.24	317.30	4.97	-46.27
O=C(C1=CN=CC2=CC=C(F)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147416	1	38	-1.0	-51.25	317.24	4.94	-46.31
COC1=C(Br)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147417	0	37	-1.0	-48.84	323.79	4.78	-44.06
COC1=C(Br)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147417	1	37	-1.0	-48.85	323.84	4.80	-44.05
CC1=C(O)C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020147418	0	40	-1.0	-46.21	314.87	2.85	-43.36
CC1=C(O)C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020147418	1	40	-1.0	-46.20	314.92	2.87	-43.33
N#CC1=CNC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300020147419	0	38	-1.0	-46.39	323.83	4.96	-41.43
N#CC1=CNC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020147419	1	38	-1.0	-46.35	323.89	4.98	-41.37
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147420	0	52	-1.0	-50.02	414.31	6.21	-43.81
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147420	1	52	-1.0	-50.10	414.37	6.23	-43.87
NC1=C2C=CN(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=CC=C1	REAL300020147421	0	42	-1.0	-52.41	342.66	4.74	-47.67
NC1=C2C=CN(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=CC=C1	REAL300020147421	1	42	-1.0	-52.39	342.72	4.77	-47.62
CC(C)(C)OC(=O)C1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147422	0	45	-1.0	-38.32	360.58	3.88	-34.44
CC(C)(C)OC(=O)C1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147422	1	45	-1.0	-38.34	360.64	3.91	-34.43
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=NNN=C2)CCC1	REAL300020147423	0	42	-1.0	-53.23	325.45	2.65	-50.58
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=NNN=C2)CCC1	REAL300020147423	1	42	-1.0	-53.29	325.51	2.67	-50.62
CC(C)(CC1=NNN=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147424	0	41	-1.0	-45.15	311.53	1.92	-43.23
CC(C)(CC1=NNN=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147424	1	41	-1.0	-45.16	311.59	1.94	-43.22
CCC(=O)N1CSC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147425	0	41	-1.0	-55.33	332.41	4.67	-50.66
CCC(=O)N1CSC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147425	1	41	-1.0	-55.34	332.47	4.70	-50.64
O=C(C1=C(C(F)(F)F)C2=CC(F)=CC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147426	0	41	-1.0	-46.95	348.40	5.56	-41.39
O=C(C1=C(C(F)(F)F)C2=CC(F)=CC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147426	1	41	-1.0	-46.93	348.34	5.53	-41.40
O=C(C1=CC2=C(S1)C(Br)=CS2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147427	0	33	-1.0	-38.88	318.93	5.55	-33.33
O=C(C1=CC2=C(S1)C(Br)=CS2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147427	1	33	-1.0	-38.88	318.99	5.57	-33.31
CC(C)OC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020147428	0	43	-1.0	-51.99	350.24	5.78	-46.21
CC(C)OC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020147428	1	43	-1.0	-52.01	350.30	5.81	-46.20
O=C(CC1=CN=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147429	0	35	-1.0	-48.62	310.93	4.29	-44.33
O=C(CC1=CN=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147429	1	35	-1.0	-48.57	310.87	4.27	-44.30
COC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)(N(C)C(=O)OC(C)(C)C)C1	REAL300020147430	0	57	-1.0	-56.90	423.71	5.07	-51.83
COC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)(N(C)C(=O)OC(C)(C)C)C1	REAL300020147430	1	57	-1.0	-56.95	423.76	5.09	-51.86
O=C(C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147431	0	47	-1.0	-47.07	379.33	7.99	-39.08
O=C(C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147431	1	47	-1.0	-47.07	379.39	8.01	-39.06
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC[C@H](O)C1	REAL300020147432	0	54	-1.0	-52.11	403.83	1.50	-50.61
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC[C@H](O)C1	REAL300020147432	1	54	-1.0	-52.12	403.88	1.53	-50.59
CC(C)(C)OC(=O)N1CC(C)(C)CCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147433	0	59	-1.0	-55.25	429.10	7.52	-47.73
CC(C)(C)OC(=O)N1CC(C)(C)CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147433	1	59	-1.0	-55.21	429.16	7.54	-47.67
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1(C)CC1	REAL300020147434	0	53	-1.0	-42.81	394.21	4.63	-38.18
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1(C)CC1	REAL300020147434	1	53	-1.0	-42.79	394.27	4.66	-38.13
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CO2	REAL300020147435	0	52	-1.0	-52.06	384.28	4.22	-47.84
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CO2	REAL300020147435	1	52	-1.0	-52.05	384.34	4.24	-47.81
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147436	0	53	-1.0	-47.53	403.22	4.11	-43.42
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147436	1	53	-1.0	-47.54	403.28	4.14	-43.40
O=C(C1CCCCN1CC1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147437	0	51	-1.0	-51.54	392.32	6.28	-45.26
O=C(C1CCCCN1CC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147437	1	51	-1.0	-51.54	392.38	6.31	-45.23
O=C(C1CCCC[N@H+]1CC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147437	1	52	0.0	-62.84	382.72	7.82	-55.02
O=C(C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147437	1	52	0.0	-62.77	382.69	7.84	-54.93
O=C(C1=CC2=C(CCCC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147438	0	40	-1.0	-39.59	314.67	5.33	-34.26
O=C(C1=CC2=C(CCCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147438	1	40	-1.0	-39.60	314.73	5.36	-34.24
O=C(C1=CC=C(C2=CNN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147439	0	40	-1.0	-50.55	327.58	4.42	-46.13
O=C(C1=CC=C(C2=CNN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147439	1	40	-1.0	-50.54	327.64	4.44	-46.10
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147440	0	48	-1.0	-46.03	371.62	4.04	-41.99
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147440	1	48	-1.0	-46.01	371.68	4.07	-41.94
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147441	0	52	-1.0	-44.14	404.73	4.83	-39.31
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147441	1	52	-1.0	-44.11	404.67	4.80	-39.31
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147442	0	51	-1.0	-47.70	393.39	5.49	-42.21
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147442	1	51	-1.0	-47.72	393.44	5.52	-42.20
C=CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147443	0	50	-1.0	-38.71	384.89	3.29	-35.42
C=CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147443	1	50	-1.0	-38.71	384.94	3.31	-35.40
CC1=CC(F)=CC=C1C(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147444	0	40	-1.0	-45.52	318.59	3.21	-42.31
CC1=CC(F)=CC=C1C(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147444	1	40	-1.0	-45.52	318.64	3.24	-42.28
CC1=CC=C2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CNC2=C1	REAL300020147445	0	40	-1.0	-53.05	324.18	5.14	-47.91
CC1=CC=C2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CNC2=C1	REAL300020147445	1	40	-1.0	-53.06	324.24	5.16	-47.90
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147446	0	50	-1.0	-46.65	381.04	-0.49	-47.14
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147446	1	50	-1.0	-46.66	381.10	-0.46	-47.12
CC(=O)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N1	REAL300020147447	0	42	-1.0	-57.43	350.05	5.09	-52.34
CC(=O)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N1	REAL300020147447	1	42	-1.0	-57.42	350.11	5.12	-52.30
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147448	0	57	-1.0	-48.43	423.69	4.99	-43.44
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147448	1	57	-1.0	-48.45	423.75	5.01	-43.44
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1Br	REAL300020147449	0	36	-1.0	-50.43	315.49	5.67	-44.76
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1Br	REAL300020147449	1	36	-1.0	-50.41	315.55	5.70	-44.71
CCC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1=O	REAL300020147450	0	44	-1.0	-47.53	326.63	5.13	-42.40
CCC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1=O	REAL300020147450	1	44	-1.0	-47.58	326.68	5.16	-42.42
O=C(C1=C2C=COC2=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147451	0	36	-1.0	-49.37	308.21	4.98	-44.39
O=C(C1=C2C=COC2=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147451	1	36	-1.0	-49.40	308.27	5.00	-44.40
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147452	0	53	-1.0	-43.34	398.33	5.53	-37.81
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147452	1	53	-1.0	-43.36	398.39	5.56	-37.80
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020147453	0	59	-1.0	-42.82	423.09	4.92	-37.90
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020147453	1	59	-1.0	-42.84	423.15	4.95	-37.89
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147454	0	54	-1.0	-55.59	401.85	6.21	-49.38
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147454	1	54	-1.0	-55.61	401.91	6.24	-49.37
CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147455	0	56	-1.0	-54.87	418.35	6.06	-48.81
CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147455	1	56	-1.0	-54.86	418.41	6.09	-48.77
O=C(C1=CC=C2N=CC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147456	0	38	-1.0	-46.37	316.51	1.60	-44.77
O=C(C1=CC=C2N=CC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147456	1	38	-1.0	-46.36	316.57	1.63	-44.73
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC12CCOCC2	REAL300020147457	0	42	-1.0	-38.68	334.23	3.75	-34.93
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC12CCOCC2	REAL300020147457	1	42	-1.0	-38.69	334.28	3.78	-34.91
O=C([C@@H]1CCO[C@H]1C1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147458	0	43	-1.0	-47.05	339.61	3.64	-43.41
O=C([C@@H]1CCO[C@H]1C1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147458	1	43	-1.0	-47.02	339.55	3.62	-43.40
C=CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020147459	0	57	-1.0	-57.80	427.00	5.97	-51.83
C=CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020147459	1	57	-1.0	-57.80	427.06	6.00	-51.80
CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147460	0	51	-1.0	-51.99	387.33	2.49	-49.50
CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147460	1	51	-1.0	-51.96	387.39	2.51	-49.45
COC(=O)C1=CC(OC)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147461	0	42	-1.0	-44.28	350.43	3.43	-40.85
COC(=O)C1=CC(OC)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147461	1	42	-1.0	-44.23	350.38	3.40	-40.83
COC1=CC=C(C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2CCCCC2)C=C1	REAL300020147462	0	56	-1.0	-47.56	418.35	8.11	-39.45
COC1=CC=C(C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2CCCCC2)C=C1	REAL300020147462	1	56	-1.0	-47.55	418.41	8.14	-39.41
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=NC=CC=C2C=C1	REAL300020147463	0	42	-1.0	-58.58	344.31	4.43	-54.15
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=NC=CC=C2C=C1	REAL300020147463	1	42	-1.0	-58.61	344.25	4.40	-54.21
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CC2(CCC2)C1	REAL300020147464	0	43	-1.0	-43.53	333.34	5.78	-37.75
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CC2(CCC2)C1	REAL300020147464	1	43	-1.0	-43.51	333.40	5.80	-37.71
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CN=C1	REAL300020147465	0	35	-1.0	-42.76	296.92	3.64	-39.12
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CN=C1	REAL300020147465	1	35	-1.0	-42.75	296.87	3.61	-39.14
COCC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020147466	0	47	-1.0	-44.20	345.94	2.76	-41.44
COCC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020147466	1	47	-1.0	-44.21	346.00	2.79	-41.42
CC1(C)CC(=O)NCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147467	0	43	-1.0	-46.38	320.32	1.84	-44.54
CC1(C)CC(=O)NCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147467	1	43	-1.0	-46.38	320.38	1.86	-44.52
CCC(O)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020147468	0	43	-1.0	-45.28	320.15	3.76	-41.52
CCC(O)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020147468	1	43	-1.0	-45.29	320.21	3.78	-41.51
CC(C)(C)C1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147469	0	43	-1.0	-52.88	337.09	4.86	-48.02
CC(C)(C)C1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147469	1	43	-1.0	-52.88	337.15	4.89	-47.99
O=C([C@@H]1CC2=CN=CN2C(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147470	0	38	-1.0	-58.80	309.09	2.76	-56.04
O=C([C@@H]1CC2=CN=CN2C(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147470	1	38	-1.0	-58.80	309.03	2.73	-56.07
O=C(C1=CC=C(OC2=CC=CC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147471	0	43	-1.0	-47.86	355.17	4.77	-43.09
O=C(C1=CC=C(OC2=CC=CC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147471	1	43	-1.0	-47.87	355.11	4.74	-43.13
CC1=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=NN2C(C(F)F)=C1	REAL300020147472	0	41	-1.0	-60.39	349.88	4.82	-55.57
CC1=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=NN2C(C(F)F)=C1	REAL300020147472	1	41	-1.0	-60.35	349.94	4.84	-55.51
O=C(C1=COC2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147473	0	40	-1.0	-47.91	316.02	5.27	-42.64
O=C(C1=COC2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147473	1	40	-1.0	-47.92	316.08	5.30	-42.62
O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147474	0	48	-1.0	-55.28	370.06	6.36	-48.92
O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147474	1	48	-1.0	-55.26	370.11	6.39	-48.87
CCC(C)C(=O)N1CSC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147475	0	47	-1.0	-43.41	369.19	5.27	-38.14
CCC(C)C(=O)N1CSC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147475	1	47	-1.0	-43.38	369.24	5.29	-38.09
CC(C)(C)C1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147476	0	41	-1.0	-40.59	328.59	4.53	-36.06
CC(C)(C)C1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147476	1	41	-1.0	-40.55	328.54	4.51	-36.04
O=C(C1=CC2=C(C=C1Cl)OCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147477	0	36	-1.0	-45.07	312.40	3.63	-41.44
O=C(C1=CC2=C(C=C1Cl)OCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147477	1	36	-1.0	-45.09	312.46	3.66	-41.43
O=C(C1=CN=CC2=C(C(F)(F)F)C=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147478	0	41	-1.0	-43.03	343.93	5.67	-37.36
O=C(C1=CN=CC2=C(C(F)(F)F)C=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147478	1	41	-1.0	-43.02	343.88	5.64	-37.38
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C2CCCCN21	REAL300020147479	0	49	-1.0	-50.84	371.11	6.21	-44.63
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C2CCCCN21	REAL300020147479	1	49	-1.0	-50.84	371.17	6.23	-44.61
CC1=NC2=NC=NN2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147480	0	37	-1.0	-52.15	312.52	6.02	-46.13
CC1=NC2=NC=NN2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147480	1	37	-1.0	-52.14	312.58	6.05	-46.09
CC1=CC(C2CCC2)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147481	0	45	-1.0	-43.59	349.24	5.73	-37.86
CC1=CC(C2CCC2)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147481	1	45	-1.0	-43.57	349.29	5.75	-37.82
CC(C)[C@@H]1C[C@H](CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020147482	0	52	-1.0	-45.33	389.93	8.84	-36.49
CC(C)[C@@H]1C[C@H](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020147482	1	52	-1.0	-45.35	389.98	8.86	-36.49
CC(=O)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2S1	REAL300020147483	0	41	-1.0	-54.43	352.22	6.45	-47.98
CC(=O)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2S1	REAL300020147483	1	41	-1.0	-54.47	352.28	6.48	-47.99
O=C(C1=CC=CC=C1)N1CSC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147484	0	45	-1.0	-60.42	359.18	6.62	-53.80
O=C(C1=CC=CC=C1)N1CSC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147484	1	45	-1.0	-60.43	359.24	6.64	-53.79
COC1=CC=CC2=C1CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CO2	REAL300020147485	0	45	-1.0	-45.72	353.35	4.51	-41.21
COC1=CC=CC2=C1CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CO2	REAL300020147485	1	45	-1.0	-45.70	353.41	4.54	-41.16
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=CC=C1F	REAL300020147486	0	40	-1.0	-44.90	326.79	5.54	-39.36
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=CC=C1F	REAL300020147486	1	40	-1.0	-44.87	326.85	5.57	-39.30
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=CC=C1Cl	REAL300020147487	0	40	-1.0	-44.37	335.49	5.94	-38.43
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=CC=C1Cl	REAL300020147487	1	40	-1.0	-44.36	335.54	5.97	-38.39
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(COC2=CC=CC=C2)=N1	REAL300020147488	0	46	-1.0	-42.30	385.87	5.52	-36.78
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(COC2=CC=CC=C2)=N1	REAL300020147488	1	46	-1.0	-42.33	385.93	5.55	-36.78
CC1=CC=C(Br)C(F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147489	0	36	-1.0	-47.71	320.63	5.77	-41.94
CC1=CC=C(Br)C(F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147489	1	36	-1.0	-47.70	320.69	5.80	-41.90
O=C(C1=NN2CCNC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147490	0	38	-1.0	-45.00	311.99	0.44	-44.56
O=C(C1=NN2CCNC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147490	1	38	-1.0	-45.02	311.93	0.42	-44.60
CC1=CC2=NC=CN=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147491	0	40	-1.0	-46.66	324.08	3.50	-43.16
CC1=CC2=NC=CN=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147491	1	40	-1.0	-46.69	324.14	3.52	-43.17
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147492	0	44	-1.0	-42.50	362.79	5.63	-36.87
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147492	1	44	-1.0	-42.52	362.85	5.66	-36.86
CC1=CC=C(N2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2=O)C=C1	REAL300020147493	0	47	-1.0	-45.57	382.41	6.01	-39.56
CC1=CC=C(N2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2=O)C=C1	REAL300020147493	1	47	-1.0	-45.57	382.46	6.04	-39.53
O=C(C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147494	0	42	-1.0	-43.11	357.65	6.73	-36.38
O=C(C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147494	1	42	-1.0	-43.12	357.59	6.70	-36.42
CC(=O)NC(CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147495	0	45	-1.0	-55.68	342.68	4.05	-51.63
CC(=O)NC(CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147495	1	45	-1.0	-55.64	342.74	4.07	-51.57
O=C(C1CCC2C(CC1)C2(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147496	0	43	-1.0	-45.59	330.98	6.14	-39.45
O=C(C1CCC2C(CC1)C2(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147496	1	43	-1.0	-45.54	331.04	6.17	-39.37
CCOC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CC1	REAL300020147497	0	43	-1.0	-42.19	335.25	5.28	-36.91
CCOC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CC1	REAL300020147497	1	43	-1.0	-42.25	335.31	5.31	-36.94
CC1=C(C)OC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147498	0	41	-1.0	-47.90	334.64	2.37	-45.53
CC1=C(C)OC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147498	1	41	-1.0	-47.89	334.70	2.40	-45.49
COCCOCCN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147499	0	47	-1.0	-48.84	383.13	2.98	-45.86
COCCOCCN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147499	1	47	-1.0	-48.86	383.07	2.96	-45.90
COCCOCCN1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147500	0	47	-1.0	-46.93	378.96	2.36	-44.57
COCCOCCN1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147500	1	47	-1.0	-46.89	378.90	2.34	-44.55
O=C(C1=CC=C(CCC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147501	0	49	-1.0	-46.73	394.79	9.69	-37.04
O=C(C1=CC=C(CCC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147501	1	49	-1.0	-46.70	394.84	9.71	-36.99
O=C(C1=C2CCCC2=NNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147502	0	39	-1.0	-54.28	318.93	1.98	-52.30
O=C(C1=C2CCCC2=NNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147502	1	39	-1.0	-54.27	318.98	2.00	-52.27
O=C(C1=CC=CC2=C1CNC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147503	0	38	-1.0	-47.11	314.24	1.96	-45.15
O=C(C1=CC=CC2=C1CNC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147503	1	38	-1.0	-47.06	314.30	1.98	-45.08
O=C(C1=NN(CCC(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147504	0	39	-1.0	-48.78	333.61	4.83	-43.95
O=C(C1=NN(CCC(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147504	1	39	-1.0	-48.79	333.55	4.80	-43.99
O=C(C1=CC=C(C(F)C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147505	0	39	-1.0	-45.48	334.65	6.23	-39.25
O=C(C1=CC=C(C(F)C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147505	1	39	-1.0	-45.48	334.71	6.25	-39.23
O=C(C1=CC=C(C2=CSC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147506	0	39	-1.0	-38.99	332.98	5.26	-33.73
O=C(C1=CC=C(C2=CSC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147506	1	39	-1.0	-39.03	332.92	5.23	-33.80
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147507	0	47	-1.0	-49.89	359.46	6.82	-43.07
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147507	1	47	-1.0	-49.92	359.51	6.85	-43.07
O=C(C(CC1CCCCC1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147508	0	55	-1.0	-45.89	408.19	9.45	-36.44
O=C(C(CC1CCCCC1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147508	1	55	-1.0	-45.88	408.25	9.47	-36.41
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C1=CC=CC=C1Cl	REAL300020147509	0	45	-1.0	-49.04	358.03	7.33	-41.71
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C1=CC=CC=C1Cl	REAL300020147509	1	45	-1.0	-49.04	358.09	7.35	-41.69
O=C(C1=CC=C(CC2CCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147510	0	46	-1.0	-45.51	361.57	7.96	-37.55
O=C(C1=CC=C(CC2CCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147510	1	46	-1.0	-45.47	361.62	7.99	-37.48
O=C(C1=CC=C(F)C(OC(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147511	0	37	-1.0	-46.25	322.68	4.31	-41.94
O=C(C1=CC=C(F)C(OC(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147511	1	37	-1.0	-46.19	322.74	4.34	-41.85
CN(C)C1=NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020147512	0	43	-1.0	-46.65	349.89	3.03	-43.62
CN(C)C1=NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020147512	1	43	-1.0	-46.67	349.83	3.01	-43.66
CS(=N)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147513	0	40	-1.0	-56.48	335.60	1.11	-55.37
CS(=N)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147513	1	40	-1.0	-56.53	335.66	1.14	-55.39
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147514	0	51	0.0	-80.70	345.22	5.17	-75.53
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147514	1	51	0.0	-71.21	350.75	5.72	-65.49
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147514	1	51	0.0	-80.65	345.28	5.20	-75.45
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147514	1	51	0.0	-71.20	350.81	5.74	-65.46
O=C(C1=CN(C2COC2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147515	0	37	-1.0	-45.50	303.97	0.42	-45.08
O=C(C1=CN(C2COC2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147515	1	37	-1.0	-45.53	303.91	0.40	-45.13
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C(F)C=C1F	REAL300020147516	0	36	-1.0	-46.45	309.23	5.22	-41.23
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C(F)C=C1F	REAL300020147516	1	36	-1.0	-46.48	309.29	5.25	-41.23
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020147517	0	50	-1.0	-40.11	405.36	3.89	-36.22
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020147517	1	50	-1.0	-40.11	405.42	3.92	-36.19
O=C(CCC1=CC=C(F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147518	0	38	-1.0	-47.55	317.42	4.44	-43.11
O=C(CCC1=CC=C(F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147518	1	38	-1.0	-47.62	317.36	4.42	-43.20
CC1=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C	REAL300020147519	0	36	-1.0	-42.92	311.52	3.94	-38.98
CC1=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C	REAL300020147519	1	36	-1.0	-42.86	311.57	3.96	-38.90
O=C(C1=CC=C(F)C(C(F)(F)F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147520	0	36	-1.0	-49.76	318.02	5.49	-44.27
O=C(C1=CC=C(F)C(C(F)(F)F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147520	1	36	-1.0	-49.74	318.08	5.52	-44.22
CC(=O)NCC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020147521	0	52	-1.0	-49.04	378.20	4.54	-44.50
CC(=O)NCC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020147521	1	52	-1.0	-49.03	378.26	4.56	-44.47
CC1(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C)(C)O1	REAL300020147522	0	49	-1.0	-45.46	362.11	5.15	-40.31
CC1(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C)(C)O1	REAL300020147522	1	49	-1.0	-45.43	362.17	5.18	-40.25
O=C(C1=CC=NC(Br)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147523	0	32	-1.0	-48.49	292.64	3.28	-45.21
O=C(C1=CC=NC(Br)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147523	1	32	-1.0	-48.50	292.58	3.25	-45.25
O=C(C1=C2C=C(Br)C=CC2=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147524	0	35	-1.0	-45.31	323.09	5.07	-40.24
O=C(C1=C2C=C(Br)C=CC2=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147524	1	35	-1.0	-45.32	323.03	5.04	-40.28
O=C(C1=C(C(F)F)N=C(C2CC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147525	0	39	-1.0	-39.79	329.18	2.86	-36.93
O=C(C1=C(C(F)F)N=C(C2CC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147525	1	39	-1.0	-39.79	329.24	2.88	-36.91
O=C(CCOC1=C(F)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147526	0	40	-1.0	-48.23	350.77	5.85	-42.38
O=C(CCOC1=C(F)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147526	1	40	-1.0	-48.26	350.83	5.87	-42.39
CS(C)(=O)=NC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020147527	0	39	-1.0	-57.71	337.78	1.58	-56.13
CS(C)(=O)=NC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020147527	1	39	-1.0	-57.72	337.83	1.61	-56.11
O=C(OCC1=CC=CC=C1)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147528	0	48	-1.0	-49.57	395.07	5.97	-43.60
O=C(OCC1=CC=CC=C1)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147528	1	48	-1.0	-49.55	395.13	5.99	-43.56
CC(C)CC(=O)N1CCCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147529	0	52	-1.0	-58.56	383.84	6.95	-51.61
CC(C)CC(=O)N1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147529	1	52	-1.0	-58.59	383.90	6.97	-51.62
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12OC3C4COCC3C1C42	REAL300020147530	0	41	-1.0	-46.28	315.03	2.80	-43.48
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12OC3C4COCC3C1C42	REAL300020147530	1	41	-1.0	-46.28	315.08	2.82	-43.46
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(CC(=O)C1)S2(=O)=O	REAL300020147531	0	42	-1.0	-52.20	325.14	0.99	-51.21
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(CC(=O)C1)S2(=O)=O	REAL300020147531	1	42	-1.0	-52.21	325.20	1.02	-51.19
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCO2)CCOCC1	REAL300020147532	0	48	-1.0	-43.97	341.76	2.65	-41.32
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCO2)CCOCC1	REAL300020147532	1	48	-1.0	-43.98	341.81	2.68	-41.30
O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147533	0	50	-1.0	-47.28	361.86	8.33	-38.95
O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147533	1	50	-1.0	-47.31	361.92	8.36	-38.95
O=C(CC1=CC(O)=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147534	0	37	-1.0	-49.78	327.02	3.21	-46.57
O=C(CC1=CC(O)=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147534	1	37	-1.0	-49.80	327.08	3.24	-46.56
O=C(CCCCC1=CC=CC(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147535	0	46	-1.0	-48.42	370.09	4.95	-43.47
O=C(CCCCC1=CC=CC(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147535	1	46	-1.0	-48.42	370.15	4.98	-43.44
O=C(C1=CN=C2CCCCC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147536	0	41	-1.0	-44.55	322.34	4.04	-40.51
O=C(C1=CN=C2CCCCC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147536	1	41	-1.0	-44.55	322.39	4.07	-40.48
CC1=C(C)NC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147537	0	40	-1.0	-44.42	327.55	3.98	-40.44
CC1=C(C)NC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147537	1	40	-1.0	-44.47	327.60	4.00	-40.47
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147538	0	54	-1.0	-55.65	419.85	5.33	-50.32
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147538	1	54	-1.0	-55.67	419.91	5.35	-50.32
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(O)C1	REAL300020147539	0	51	-1.0	-53.26	393.05	0.82	-52.44
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(O)C1	REAL300020147539	1	51	-1.0	-53.26	393.10	0.84	-52.42
O=C(C1=C(F)C=C(Br)C(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147540	0	33	-1.0	-43.92	313.64	5.35	-38.57
O=C(C1=C(F)C=C(Br)C(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147540	1	33	-1.0	-43.88	313.70	5.38	-38.50
CC(C)(C)OC(=O)N1CSCCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147541	0	51	-1.0	-52.76	389.93	6.02	-46.74
CC(C)(C)OC(=O)N1CSCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147541	1	51	-1.0	-52.75	389.98	6.04	-46.71
CS(C)(=O)=NC(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147542	0	35	-1.0	-59.53	298.88	-1.13	-60.66
CS(C)(=O)=NC(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147542	1	35	-1.0	-59.58	298.93	-1.10	-60.68
O=C(C=CCCCCCCCO)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147543	0	49	-1.0	-48.81	387.12	4.36	-44.45
O=C(C=CCCCCCCCO)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147543	1	49	-1.0	-48.81	387.18	4.38	-44.43
O=C(C#CC1CCC(=O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147544	0	40	-1.0	-49.99	329.15	5.48	-44.51
O=C(C#CC1CCC(=O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147544	1	40	-1.0	-49.99	329.21	5.51	-44.48
COC(=O)[C@@H]1[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(F)F	REAL300020147545	0	36	-1.0	-43.49	312.52	4.06	-39.43
COC(=O)[C@@H]1[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(F)F	REAL300020147545	1	36	-1.0	-43.49	312.57	4.09	-39.40
CC(C)(C)OC(=O)N1CC2=NNC=C2C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147546	0	51	-1.0	-56.40	391.30	3.64	-52.76
CC(C)(C)OC(=O)N1CC2=NNC=C2C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147546	1	51	-1.0	-56.36	391.36	3.66	-52.70
O=C(C1=CN2N=C(Br)N=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147547	0	35	-1.0	-44.41	318.03	4.80	-39.61
O=C(C1=CN2N=C(Br)N=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147547	1	35	-1.0	-44.39	317.97	4.78	-39.61
CC(C(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020147548	0	35	-1.0	-52.66	290.10	3.89	-48.77
CC(C(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020147548	1	35	-1.0	-52.67	290.16	3.91	-48.76
COC1(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)COC1	REAL300020147549	0	45	-1.0	-45.33	350.53	3.86	-41.47
COC1(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)COC1	REAL300020147549	1	45	-1.0	-45.36	350.59	3.88	-41.48
O=C(CN1CC(C(F)(F)F)CCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147550	0	43	-1.0	-53.95	352.51	4.58	-49.37
O=C(CN1CC(C(F)(F)F)CCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147550	1	43	-1.0	-54.00	352.57	4.60	-49.40
O=C(C1=CC2=C(C=C(Br)S2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147551	0	33	-1.0	-36.29	319.14	5.66	-30.63
O=C(C1=CC2=C(C=C(Br)S2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147551	1	33	-1.0	-36.24	319.20	5.68	-30.56
CCC1=NC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147552	0	37	-1.0	-42.69	318.24	4.22	-38.47
CCC1=NC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147552	1	37	-1.0	-42.69	318.30	4.24	-38.45
O=C(C=CC1=CC(Cl)=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147553	0	37	-1.0	-46.60	338.47	6.95	-39.65
O=C(C=CC1=CC(Cl)=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147553	1	37	-1.0	-46.58	338.52	6.98	-39.60
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2)S1	REAL300020147554	0	37	-1.0	-45.44	312.80	4.77	-40.67
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2)S1	REAL300020147554	1	37	-1.0	-45.45	312.86	4.80	-40.65
O=C(C1=CC2=C(SC(Br)=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147555	0	33	-1.0	-36.44	318.56	5.57	-30.87
O=C(C1=CC2=C(SC(Br)=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147555	1	33	-1.0	-36.49	318.61	5.60	-30.89
CC12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)C(C)(C)O2	REAL300020147556	0	44	-1.0	-44.31	324.71	3.50	-40.81
CC12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)C(C)(C)O2	REAL300020147556	1	44	-1.0	-44.36	324.76	3.53	-40.83
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL300020147557	0	40	-1.0	-37.05	340.27	6.80	-30.25
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL300020147557	1	40	-1.0	-37.08	340.33	6.82	-30.26
O=C(C1=CC=C(NS(=O)(=O)C2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147558	0	45	-1.0	-52.19	374.05	2.88	-49.31
O=C(C1=CC=C(NS(=O)(=O)C2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147558	1	45	-1.0	-52.18	374.10	2.90	-49.28
O=C(C1=CC=CC(NS(=O)(=O)C2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147559	0	45	-1.0	-48.47	374.86	2.95	-45.52
O=C(C1=CC=CC(NS(=O)(=O)C2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147559	1	45	-1.0	-48.45	374.92	2.97	-45.48
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147560	0	47	-1.0	-48.54	376.19	2.27	-46.27
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147560	1	47	-1.0	-48.50	376.25	2.29	-46.21
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CN=CN=C1	REAL300020147561	0	40	-1.0	-45.76	300.36	4.10	-41.66
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CN=CN=C1	REAL300020147561	1	40	-1.0	-45.83	300.30	4.08	-41.75
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCO2)CCCC1	REAL300020147562	0	47	-1.0	-47.44	331.95	5.27	-42.17
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCO2)CCCC1	REAL300020147562	1	47	-1.0	-47.47	332.01	5.29	-42.18
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020147563	0	49	-1.0	-51.39	369.67	4.71	-46.68
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020147563	1	49	-1.0	-51.39	369.73	4.74	-46.65
CC1=CC(F)=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147564	0	36	-1.0	-41.50	316.26	5.68	-35.82
CC1=CC(F)=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147564	1	36	-1.0	-41.50	316.32	5.71	-35.79
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H](C2CC2)C1	REAL300020147565	0	57	-1.0	-47.04	431.99	6.60	-40.44
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H](C2CC2)C1	REAL300020147565	1	57	-1.0	-47.10	432.05	6.63	-40.47
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CC=CCO1	REAL300020147566	0	38	-1.0	-40.64	300.08	3.74	-36.90
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CC=CCO1	REAL300020147566	1	38	-1.0	-40.69	300.13	3.77	-36.92
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CCC2	REAL300020147567	0	57	-1.0	-55.11	407.00	7.53	-47.58
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CCC2	REAL300020147567	1	57	-1.0	-55.11	407.05	7.56	-47.55
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147568	0	57	-1.0	-51.56	430.32	4.86	-46.70
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147568	1	57	-1.0	-51.56	430.38	4.88	-46.68
O=C(C1=COC2=C1CSC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147569	0	35	-1.0	-48.03	298.18	4.17	-43.86
O=C(C1=COC2=C1CSC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147569	1	35	-1.0	-48.01	298.23	4.20	-43.81
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147570	0	54	-1.0	-36.79	407.67	8.90	-27.89
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147570	1	54	-1.0	-36.80	407.73	8.93	-27.87
O=C(C1CNC(=O)CC12CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147571	0	45	-1.0	-39.21	332.34	0.27	-38.94
O=C(C1CNC(=O)CC12CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147571	1	45	-1.0	-39.19	332.40	0.30	-38.89
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C1=CC=C(Cl)C=C1	REAL300020147572	0	43	-1.0	-47.60	362.37	6.56	-41.04
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C1=CC=C(Cl)C=C1	REAL300020147572	1	43	-1.0	-47.58	362.31	6.54	-41.04
CC1=CC=C2OC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020147573	0	39	-1.0	-41.26	320.67	5.62	-35.64
CC1=CC=C2OC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020147573	1	39	-1.0	-41.25	320.72	5.65	-35.60
O=C(C1=CC=C2SCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147574	0	41	-1.0	-45.12	333.18	6.63	-38.49
O=C(C1=CC=C2SCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147574	1	41	-1.0	-45.16	333.24	6.65	-38.51
O=C(C1=CC=C2SCCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147575	0	44	-1.0	-44.89	350.20	7.23	-37.66
O=C(C1=CC=C2SCCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147575	1	44	-1.0	-44.88	350.26	7.26	-37.62
CC1=CC=C2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=COC2=C1	REAL300020147576	0	39	-1.0	-40.83	320.64	5.63	-35.20
CC1=CC=C2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=COC2=C1	REAL300020147576	1	39	-1.0	-40.80	320.70	5.66	-35.14
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147577	0	41	-1.0	-57.22	324.33	-0.35	-57.57
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147577	1	41	-1.0	-57.22	324.39	-0.33	-57.55
COC(=O)CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147578	0	45	-1.0	-49.35	368.85	6.69	-42.66
COC(=O)CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147578	1	45	-1.0	-49.38	368.90	6.72	-42.66
CC(C)=CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020147579	0	46	-1.0	-45.03	365.73	7.75	-37.28
CC(C)=CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020147579	1	46	-1.0	-45.06	365.78	7.78	-37.28
O=C(CC1=C(Br)N2C=CC=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147580	0	39	-1.0	-53.92	342.21	6.35	-47.57
O=C(CC1=C(Br)N2C=CC=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147580	1	39	-1.0	-53.93	342.27	6.37	-47.56
O=C(C1=CC2=C(C=C(Cl)S2)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147581	0	34	-1.0	-43.18	307.97	4.59	-38.59
O=C(C1=CC2=C(C=C(Cl)S2)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147581	1	34	-1.0	-43.15	308.03	4.61	-38.54
O=C(C1=C(F)C=CC(F)=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147582	0	33	-1.0	-47.36	306.27	5.20	-42.16
O=C(C1=C(F)C=CC(F)=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147582	1	33	-1.0	-47.37	306.32	5.23	-42.14
O=C(C1=CC=NC(C2=CC=CN=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147583	0	40	-1.0	-45.74	331.64	4.68	-41.06
O=C(C1=CC=NC(C2=CC=CN=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147583	1	40	-1.0	-45.73	331.58	4.66	-41.07
O=C(CC1=CC2=CC=CC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147584	0	41	-1.0	-52.23	335.91	5.81	-46.42
O=C(CC1=CC2=CC=CC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147584	1	41	-1.0	-52.24	335.85	5.79	-46.45
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2CC(F)(F)F)S1	REAL300020147585	0	43	-1.0	-45.77	369.95	7.10	-38.67
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2CC(F)(F)F)S1	REAL300020147585	1	43	-1.0	-45.76	370.00	7.13	-38.63
COC1(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020147586	0	44	-1.0	-40.92	331.81	3.01	-37.91
COC1(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020147586	1	44	-1.0	-40.93	331.87	3.04	-37.89
CC(C)(C)C1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020147587	0	43	-1.0	-53.92	348.77	3.05	-50.87
CC(C)(C)C1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020147587	1	43	-1.0	-53.94	348.72	3.03	-50.91
O=C(C1=CC2=C(C=CS2)N1CC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147588	0	44	-1.0	-44.25	360.00	7.48	-36.77
O=C(C1=CC2=C(C=CS2)N1CC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147588	1	44	-1.0	-44.21	360.06	7.51	-36.70
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147589	0	43	-1.0	-45.98	361.37	8.37	-37.61
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147589	1	43	-1.0	-45.99	361.42	8.39	-37.60
O=C(C1=NN(C2CC2(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147590	0	37	-1.0	-48.48	315.46	4.54	-43.94
O=C(C1=NN(C2CC2(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147590	1	37	-1.0	-48.51	315.40	4.51	-44.00
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147591	0	57	-1.0	-49.44	433.10	8.74	-40.70
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147591	1	57	-1.0	-49.43	433.16	8.77	-40.66
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CO1	REAL300020147592	0	50	-1.0	-50.98	400.10	3.13	-47.85
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CO1	REAL300020147592	1	50	-1.0	-50.99	400.15	3.15	-47.84
O=C(C(F)C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147593	0	36	-1.0	-47.17	303.76	5.52	-41.65
O=C(C(F)C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147593	1	36	-1.0	-47.18	303.82	5.54	-41.64
O=C(C1=CC2=C(C=C(Br)S2)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147594	0	34	-1.0	-43.18	312.60	4.70	-38.48
O=C(C1=CC2=C(C=C(Br)S2)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147594	1	34	-1.0	-43.16	312.66	4.73	-38.43
COC1=NC=CC(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147595	0	36	-1.0	-47.93	321.35	1.92	-46.01
COC1=NC=CC(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147595	1	36	-1.0	-47.94	321.29	1.89	-46.05
O=C(C1C2CC1(C1=CC=C(F)C=C1)CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147596	0	47	-1.0	-47.77	362.39	8.24	-39.53
O=C(C1C2CC1(C1=CC=C(F)C=C1)CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147596	1	47	-1.0	-47.80	362.45	8.26	-39.54
CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020147597	0	39	-1.0	-43.27	329.42	6.30	-36.97
CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020147597	1	39	-1.0	-43.28	329.48	6.33	-36.95
CCCC1=C(Br)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020147598	0	39	-1.0	-35.56	343.45	6.29	-29.27
CCCC1=C(Br)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020147598	1	39	-1.0	-35.56	343.51	6.32	-29.24
CSC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020147599	0	37	-1.0	-39.59	327.77	5.92	-33.67
CSC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020147599	1	37	-1.0	-39.60	327.82	5.94	-33.66
O=C(C1=CC2=C(N1)C(Br)=CS2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147600	0	34	-1.0	-43.08	312.39	4.56	-38.52
O=C(C1=CC2=C(N1)C(Br)=CS2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147600	1	34	-1.0	-43.05	312.44	4.58	-38.47
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC(Br)=C1F	REAL300020147601	0	37	-1.0	-47.40	330.30	4.74	-42.66
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC(Br)=C1F	REAL300020147601	1	37	-1.0	-47.36	330.36	4.77	-42.59
O=C(C1=CC(=O)NC(C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147602	0	43	-1.0	-47.52	353.73	5.09	-42.43
O=C(C1=CC(=O)NC(C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147602	1	43	-1.0	-47.55	353.67	5.06	-42.49
O=C(C1=COC2=CC(F)=CC(F)=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147603	0	36	-1.0	-50.81	311.50	5.08	-45.73
O=C(C1=COC2=CC(F)=CC(F)=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147603	1	36	-1.0	-50.81	311.55	5.10	-45.71
O=C(C1=CN(CCCF)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147604	0	38	-1.0	-49.56	317.53	3.09	-46.47
O=C(C1=CN(CCCF)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147604	1	38	-1.0	-49.60	317.47	3.07	-46.53
CCN1C=C(OC2=CN=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=N2)C=N1	REAL300020147605	0	45	-1.0	-42.69	369.59	3.22	-39.47
CCN1C=C(OC2=CN=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=N2)C=N1	REAL300020147605	1	45	-1.0	-42.79	369.53	3.20	-39.59
N#CC1=C2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN2N=C1	REAL300020147606	0	36	-1.0	-46.36	317.96	3.99	-42.37
N#CC1=C2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN2N=C1	REAL300020147606	1	36	-1.0	-46.32	317.90	3.97	-42.35
O=C(C1=NC=C(OCC2CC2)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147607	0	43	-1.0	-39.52	354.48	5.22	-34.30
O=C(C1=NC=C(OCC2CC2)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147607	1	43	-1.0	-39.50	354.42	5.19	-34.31
CN1N=CC2=C1SC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020147608	0	36	-1.0	-39.83	310.01	3.56	-36.27
CN1N=CC2=C1SC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020147608	1	36	-1.0	-39.85	309.96	3.54	-36.31
COC1=CC=CC=C1N1C=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147609	0	44	-1.0	-46.67	359.68	7.10	-39.57
COC1=CC=CC=C1N1C=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147609	1	44	-1.0	-46.64	359.62	7.08	-39.56
O=C(C1=CN=C(C2CCOCC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147610	0	45	-1.0	-43.88	355.85	3.09	-40.79
O=C(C1=CN=C(C2CCOCC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147610	1	45	-1.0	-43.92	355.90	3.12	-40.80
CC(=O)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N=C1	REAL300020147611	0	43	-1.0	-54.95	353.80	5.53	-49.42
CC(=O)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N=C1	REAL300020147611	1	43	-1.0	-54.96	353.85	5.55	-49.41
O=C(N1CC2=CC=CC=C2C1)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147612	0	48	-1.0	-44.42	383.56	6.33	-38.09
O=C(N1CC2=CC=CC=C2C1)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147612	1	48	-1.0	-44.42	383.62	6.35	-38.07
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C[C@@H]2CCC[C@@H]21	REAL300020147613	0	57	-1.0	-53.38	419.67	7.51	-45.87
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C[C@@H]2CCC[C@@H]21	REAL300020147613	1	57	-1.0	-53.39	419.73	7.54	-45.85
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Br)=C1C	REAL300020147614	0	39	-1.0	-43.79	325.68	6.12	-37.67
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Br)=C1C	REAL300020147614	1	39	-1.0	-43.83	325.74	6.15	-37.68
O=C(C1CC2C=CCC(C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147615	0	44	-1.0	-47.32	296.44	6.31	-41.01
O=C(C1CC2C=CCC(C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147615	1	44	-1.0	-47.28	296.49	6.33	-40.95
CC(C)CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020147616	0	52	-1.0	-46.90	403.48	8.38	-38.52
CC(C)CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020147616	1	52	-1.0	-46.92	403.54	8.41	-38.51
CC1CCN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020147617	0	51	-1.0	-45.53	383.52	6.28	-39.25
CC1CCN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020147617	1	51	-1.0	-45.48	383.58	6.30	-39.18
O=C(CC1=CC=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147618	0	35	-1.0	-47.86	304.03	4.09	-43.77
O=C(CC1=CC=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147618	1	35	-1.0	-47.91	304.09	4.11	-43.80
O=C(C1=CC2=CC=C(O)C=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147619	0	38	-1.0	-45.49	311.88	2.04	-43.45
O=C(C1=CC2=CC=C(O)C=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147619	1	38	-1.0	-45.49	311.93	2.07	-43.42
CC1=CC(=O)N2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2N1	REAL300020147620	0	39	-1.0	-50.49	325.08	2.79	-47.70
CC1=CC(=O)N2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2N1	REAL300020147620	1	39	-1.0	-50.44	325.14	2.82	-47.62
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147621	0	44	-1.0	-46.77	343.06	3.49	-43.28
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147621	1	44	-1.0	-46.79	343.12	3.52	-43.27
CS(=N)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147622	0	40	-1.0	-65.33	334.84	1.15	-64.18
CS(=N)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147622	1	40	-1.0	-65.30	334.90	1.18	-64.12
COC1=CC=C(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020147623	0	43	-1.0	-38.86	344.50	5.21	-33.65
COC1=CC=C(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020147623	1	43	-1.0	-38.86	344.56	5.24	-33.62
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC(F)(F)C1	REAL300020147624	0	40	-1.0	-48.52	322.46	4.69	-43.83
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC(F)(F)C1	REAL300020147624	1	40	-1.0	-48.55	322.52	4.71	-43.84
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=NN=CN1	REAL300020147625	0	41	-1.0	-42.87	325.05	4.21	-38.66
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=NN=CN1	REAL300020147625	1	41	-1.0	-42.91	325.11	4.24	-38.67
COC(F)(F)C(F)(F)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147626	0	43	-1.0	-44.77	366.64	5.19	-39.58
COC(F)(F)C(F)(F)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147626	1	43	-1.0	-44.72	366.70	5.22	-39.50
CC(C)(C)C1(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147627	0	48	-1.0	-45.90	339.68	5.87	-40.03
CC(C)(C)C1(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147627	1	48	-1.0	-45.94	339.74	5.90	-40.04
O=C(C1=COC(C2=CC=C(F)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147628	0	39	-1.0	-43.89	333.54	4.20	-39.69
O=C(C1=COC(C2=CC=C(F)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147628	1	39	-1.0	-43.88	333.49	4.18	-39.70
O=C(COCC1=NC(C2CC2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147629	0	42	-1.0	-57.36	352.14	2.97	-54.39
O=C(COCC1=NC(C2CC2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147629	1	42	-1.0	-57.39	352.20	3.00	-54.39
CN1CCC2=CC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020147630	0	45	-1.0	-48.74	355.44	5.28	-43.46
CN1CCC2=CC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020147630	1	45	-1.0	-48.74	355.49	5.30	-43.44
CC1=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C	REAL300020147631	0	42	-1.0	-48.49	338.38	4.39	-44.10
CC1=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C	REAL300020147631	1	42	-1.0	-48.49	338.43	4.42	-44.07
O=C(CN1C=NC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147632	0	33	-1.0	-53.48	297.32	4.99	-48.49
O=C(CN1C=NC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147632	1	33	-1.0	-53.50	297.26	4.97	-48.53
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12CCC[C@H]1CC(=O)C2	REAL300020147633	0	42	-1.0	-52.65	313.36	4.55	-48.10
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12CCC[C@H]1CC(=O)C2	REAL300020147633	1	42	-1.0	-52.64	313.42	4.58	-48.06
O=C(C1=CC=C2C(=C1)CNC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147634	0	38	-1.0	-48.19	312.15	1.91	-46.28
O=C(C1=CC=C2C(=C1)CNC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147634	1	38	-1.0	-48.20	312.20	1.94	-46.26
CCS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147635	0	44	-1.0	-49.60	364.57	2.01	-47.59
CCS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147635	1	44	-1.0	-49.66	364.63	2.04	-47.62
O=C(C1=CC2=C(Br)C=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147636	0	36	-1.0	-46.36	327.48	6.41	-39.95
O=C(C1=CC2=C(Br)C=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147636	1	36	-1.0	-46.36	327.54	6.44	-39.92
CC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020147637	0	56	-1.0	-48.29	414.33	6.42	-41.87
CC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020147637	1	56	-1.0	-48.30	414.38	6.44	-41.86
O=C([C@@H]1C[C@H]1C1=CC=C(Br)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147638	0	39	-1.0	-46.57	338.49	5.49	-41.08
O=C([C@@H]1C[C@H]1C1=CC=C(Br)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147638	1	39	-1.0	-46.56	338.44	5.47	-41.09
O=C(C1=CN(CCN2CCOCC2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147639	0	48	-1.0	-47.20	377.72	0.65	-46.55
O=C(C1=CN(CCN2CCOCC2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147639	1	48	-1.0	-47.24	377.78	0.68	-46.56
O=C(C1=CC=C(C(F)(F)F)N=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147640	0	35	-1.0	-39.08	312.47	3.72	-35.36
O=C(C1=CC=C(C(F)(F)F)N=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147640	1	35	-1.0	-39.10	312.41	3.69	-35.41
O=C(C1=NNC2=C1C(=O)NC=N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147641	0	35	-1.0	-52.69	293.86	2.72	-49.97
O=C(C1=NNC2=C1C(=O)NC=N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147641	1	35	-1.0	-52.69	293.92	2.74	-49.95
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147642	0	59	-1.0	-47.94	435.72	6.04	-41.90
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147642	1	59	-1.0	-47.98	435.78	6.07	-41.91
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147643	0	57	-1.0	-46.61	433.57	6.92	-39.69
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147643	1	57	-1.0	-46.63	433.62	6.95	-39.68
O=C(C1=COC2=C1C(O)CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147644	0	41	-1.0	-50.62	326.51	1.96	-48.66
O=C(C1=COC2=C1C(O)CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147644	1	41	-1.0	-50.67	326.57	1.98	-48.69
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147645	0	51	-1.0	-44.33	401.39	5.29	-39.04
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147645	1	51	-1.0	-44.28	401.45	5.31	-38.97
O=C(C1=CC=CC=C1C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147646	0	36	-1.0	-47.79	298.10	5.19	-42.60
O=C(C1=CC=CC=C1C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147646	1	36	-1.0	-47.81	298.16	5.22	-42.59
O=C(C1=CC(C2=CC=CN=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147647	0	38	-1.0	-41.44	320.96	3.88	-37.56
O=C(C1=CC(C2=CC=CN=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147647	1	38	-1.0	-41.40	320.90	3.85	-37.55
O=C(C(O)C1CCCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147648	0	46	-1.0	-44.67	329.32	3.86	-40.81
O=C(C(O)C1CCCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147648	1	46	-1.0	-44.66	329.38	3.88	-40.78
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147649	0	54	-1.0	-52.05	415.17	3.25	-48.80
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147649	1	54	-1.0	-52.10	415.23	3.27	-48.83
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CC	REAL300020147650	0	42	-1.0	-46.07	335.62	4.30	-41.77
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CC	REAL300020147650	1	42	-1.0	-46.04	335.68	4.32	-41.72
O=C(C(O)C1=CC(F)=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147651	0	37	-1.0	-45.37	309.62	3.25	-42.12
O=C(C(O)C1=CC(F)=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147651	1	37	-1.0	-45.33	309.68	3.28	-42.05
N#CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020147652	0	37	-1.0	-50.72	320.90	5.86	-44.86
N#CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020147652	1	37	-1.0	-50.73	320.96	5.88	-44.85
O=C(CC(C1=CC=CC=C1)C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147653	0	42	-1.0	-44.76	338.47	6.81	-37.95
O=C(CC(C1=CC=CC=C1)C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147653	1	42	-1.0	-44.71	338.53	6.84	-37.87
O=C(C1=CC=C2CCOCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147654	0	41	-1.0	-38.47	323.63	4.51	-33.96
O=C(C1=CC=C2CCOCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147654	1	41	-1.0	-38.49	323.69	4.54	-33.95
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(CO)C1	REAL300020147655	0	54	-1.0	-52.73	413.34	1.57	-51.16
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(CO)C1	REAL300020147655	1	54	-1.0	-52.72	413.40	1.60	-51.12
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1Cl	REAL300020147656	0	38	-1.0	-42.31	329.88	6.05	-36.26
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1Cl	REAL300020147656	1	38	-1.0	-42.31	329.94	6.07	-36.24
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2C(=O)CCCC2=N1	REAL300020147657	0	44	-1.0	-55.20	347.94	6.20	-49.00
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2C(=O)CCCC2=N1	REAL300020147657	1	44	-1.0	-55.25	347.99	6.22	-49.03
O=C(C1=CC2(C1)CCOCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147658	0	42	-1.0	-46.93	324.43	4.14	-42.79
O=C(C1=CC2(C1)CCOCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147658	1	42	-1.0	-46.94	324.49	4.16	-42.78
NC1=NC(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020147659	0	34	-1.0	-45.42	300.86	2.10	-43.32
NC1=NC(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020147659	1	34	-1.0	-45.40	300.80	2.08	-43.32
CCOCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020147660	0	39	-1.0	-44.88	331.47	2.97	-41.91
CCOCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020147660	1	39	-1.0	-44.84	331.52	2.99	-41.85
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1C1CCOC1	REAL300020147661	0	43	-1.0	-50.80	340.26	2.09	-48.71
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1C1CCOC1	REAL300020147661	1	43	-1.0	-50.81	340.31	2.12	-48.69
O=C(C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147662	0	49	-1.0	-40.53	388.84	7.91	-32.62
O=C(C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147662	1	49	-1.0	-40.48	388.90	7.93	-32.55
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020147663	0	38	-1.0	-46.64	313.58	4.83	-41.81
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020147663	1	38	-1.0	-46.68	313.64	4.86	-41.82
O=C(C1CCC2=NN=NN2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147664	0	38	-1.0	-41.46	302.89	2.31	-39.15
O=C(C1CCC2=NN=NN2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147664	1	38	-1.0	-41.46	302.95	2.33	-39.13
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=CC(Cl)=C1	REAL300020147665	0	40	-1.0	-43.35	338.31	6.02	-37.33
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=CC(Cl)=C1	REAL300020147665	1	40	-1.0	-43.34	338.37	6.04	-37.30
CC1=C(C)NC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147666	0	42	-1.0	-47.17	337.13	4.04	-43.13
CC1=C(C)NC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147666	1	42	-1.0	-47.20	337.18	4.07	-43.13
N#CCCCOC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147667	0	47	-1.0	-54.59	388.38	6.98	-47.61
N#CCCCOC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147667	1	47	-1.0	-54.60	388.44	7.00	-47.60
CN1C=CC(C(=O)NC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020147668	0	47	-1.0	-51.67	387.15	4.25	-47.42
CN1C=CC(C(=O)NC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020147668	1	47	-1.0	-51.65	387.09	4.23	-47.42
O=C(CN1N=NN=C1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147669	0	38	-1.0	-57.02	316.45	3.28	-53.74
O=C(CN1N=NN=C1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147669	1	38	-1.0	-57.03	316.51	3.30	-53.73
C[C@@H]1[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020147670	0	56	-1.0	-55.26	403.47	6.56	-48.70
C[C@@H]1[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020147670	1	56	-1.0	-55.27	403.52	6.58	-48.69
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCSC1	REAL300020147671	0	54	-1.0	-45.03	412.46	5.10	-39.93
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCSC1	REAL300020147671	1	54	-1.0	-45.00	412.52	5.13	-39.87
C[C@@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020147672	0	56	-1.0	-43.02	419.09	6.12	-36.90
C[C@@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020147672	1	56	-1.0	-42.99	419.15	6.14	-36.85
CC(C)(C)OC(=O)NCCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147673	0	50	-1.0	-53.60	405.73	3.63	-49.97
CC(C)(C)OC(=O)NCCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147673	1	50	-1.0	-53.62	405.79	3.66	-49.96
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL300020147674	0	43	-1.0	-48.33	351.28	7.10	-41.23
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL300020147674	1	43	-1.0	-48.30	351.34	7.13	-41.17
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC(F)=CC=C2F)CCC1	REAL300020147675	0	43	-1.0	-37.53	332.36	6.78	-30.75
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC(F)=CC=C2F)CCC1	REAL300020147675	1	43	-1.0	-37.52	332.42	6.80	-30.72
O=C(C(O)C1=CC=C(F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147676	0	37	-1.0	-44.97	309.91	3.24	-41.73
O=C(C(O)C1=CC=C(F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147676	1	37	-1.0	-45.01	309.97	3.27	-41.74
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CCO	REAL300020147677	0	39	-1.0	-46.24	318.87	-1.39	-47.63
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CCO	REAL300020147677	1	39	-1.0	-46.26	318.82	-1.41	-47.67
CCC1=NC(N)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147678	0	39	-1.0	-43.39	313.30	3.01	-40.38
CCC1=NC(N)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147678	1	39	-1.0	-43.37	313.36	3.04	-40.33
O=C(CC1(N2C=NN=N2)CCSCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147679	0	45	-1.0	-64.15	348.57	5.38	-58.77
O=C(CC1(N2C=NN=N2)CCSCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147679	1	45	-1.0	-64.15	348.51	5.36	-58.79
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020147680	0	37	-1.0	-47.61	317.43	1.72	-45.89
NC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020147680	1	37	-1.0	-47.56	317.48	1.75	-45.81
O=C(C=CC1=NC2=CC=CC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147681	0	41	-1.0	-47.95	342.30	4.63	-43.32
O=C(C=CC1=NC2=CC=CC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147681	1	41	-1.0	-47.96	342.36	4.65	-43.31
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147682	0	46	-1.0	-52.89	375.77	4.90	-47.99
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147682	1	46	-1.0	-52.94	375.83	4.93	-48.01
CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147683	0	52	-1.0	-52.85	419.13	6.63	-46.22
CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147683	1	52	-1.0	-52.87	419.18	6.66	-46.21
CN1C=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N(C)C1=O	REAL300020147684	0	43	-1.0	-54.36	349.28	4.30	-50.06
CN1C=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N(C)C1=O	REAL300020147684	1	43	-1.0	-54.34	349.34	4.33	-50.01
CCN1C=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147685	0	36	-1.0	-42.94	308.98	4.18	-38.76
CCN1C=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147685	1	36	-1.0	-42.94	308.92	4.15	-38.79
CN1N=CC=C1C1=NNC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147686	0	40	-1.0	-53.02	326.38	1.76	-51.26
CN1N=CC=C1C1=NNC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147686	1	40	-1.0	-52.97	326.44	1.78	-51.19
O=C(C1=NN=C2C=CC(Br)=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147687	0	35	-1.0	-45.89	311.01	5.90	-39.99
O=C(C1=NN=C2C=CC(Br)=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147687	1	35	-1.0	-45.87	310.95	5.87	-40.00
COC1=NC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020147688	0	36	-1.0	-47.95	315.96	1.81	-46.14
COC1=NC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020147688	1	36	-1.0	-47.98	315.91	1.78	-46.20
COC1=NSC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147689	0	37	-1.0	-38.47	323.37	1.96	-36.51
COC1=NSC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147689	1	37	-1.0	-38.49	323.43	1.98	-36.51
CC(C)N1N=CC2=C1NC(=O)C(C=CC(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020147690	0	49	-1.0	-51.27	396.03	5.50	-45.77
CC(C)N1N=CC2=C1NC(=O)C(C=CC(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020147690	1	49	-1.0	-51.36	396.09	5.53	-45.83
CC(C)CC1=NN=C2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=CN12	REAL300020147691	0	47	-1.0	-62.22	376.23	7.51	-54.71
CC(C)CC1=NN=C2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=CN12	REAL300020147691	1	47	-1.0	-62.24	376.29	7.54	-54.70
COC1(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020147692	0	40	-1.0	-42.20	313.78	4.41	-37.79
COC1(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020147692	1	40	-1.0	-42.21	313.84	4.44	-37.77
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL300020147693	0	46	-1.0	-46.60	334.92	4.05	-42.55
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL300020147693	1	46	-1.0	-46.56	334.98	4.07	-42.49
O=C(C1=CSC(CC(F)(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147694	0	35	-1.0	-47.25	316.64	4.08	-43.17
O=C(C1=CSC(CC(F)(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147694	1	35	-1.0	-47.23	316.69	4.10	-43.13
CC(C)(C)OC1CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C12CCC2	REAL300020147695	0	56	-1.0	-46.12	418.05	7.46	-38.66
CC(C)(C)OC1CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C12CCC2	REAL300020147695	1	56	-1.0	-46.11	418.11	7.48	-38.63
O=C(CCC1CCC(=O)NC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147696	0	43	-1.0	-51.63	334.16	2.44	-49.19
O=C(CCC1CCC(=O)NC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147696	1	43	-1.0	-51.61	334.22	2.46	-49.15
O=C(CC1CSC2=CC=CC=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147697	0	45	-1.0	-55.50	363.22	6.68	-48.82
O=C(CC1CSC2=CC=CC=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147697	1	45	-1.0	-55.50	363.28	6.70	-48.80
O=C(C1=COC2=C(F)C=C(F)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147698	0	36	-1.0	-46.95	312.10	5.09	-41.86
O=C(C1=COC2=C(F)C=C(F)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147698	1	36	-1.0	-46.94	312.16	5.12	-41.82
CCC1=CC=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C21	REAL300020147699	0	44	-1.0	-46.39	350.38	7.12	-39.27
CCC1=CC=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C21	REAL300020147699	1	44	-1.0	-46.37	350.33	7.09	-39.28
O=C(C1=CC=C(C2(C(F)(F)F)CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147700	0	43	-1.0	-46.21	356.86	7.30	-38.91
O=C(C1=CC=C(C2(C(F)(F)F)CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147700	1	43	-1.0	-46.22	356.92	7.33	-38.89
O=C(C1=CN(C2=NC(C3CC3)=NS2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147701	0	42	-1.0	-41.95	364.10	7.87	-34.08
O=C(C1=CN(C2=NC(C3CC3)=NS2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147701	1	42	-1.0	-41.91	364.04	7.85	-34.06
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCS(=O)(=O)CC1	REAL300020147702	0	42	-1.0	-52.59	315.93	0.97	-51.62
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCS(=O)(=O)CC1	REAL300020147702	1	42	-1.0	-52.63	315.99	0.99	-51.64
CC(F)(F)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147703	0	39	-1.0	-54.70	315.75	5.81	-48.89
CC(F)(F)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147703	1	39	-1.0	-54.65	315.80	5.84	-48.81
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(F)CCC(F)(F)CC1	REAL300020147704	0	39	-1.0	-43.19	306.36	4.79	-38.40
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(F)CCC(F)(F)CC1	REAL300020147704	1	39	-1.0	-43.19	306.41	4.82	-38.37
O=C(C1CCCN1C1CCS(=O)(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147705	0	48	-1.0	-53.57	368.53	0.34	-53.23
O=C(C1CCCN1C1CCS(=O)(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147705	1	48	-1.0	-53.59	368.58	0.36	-53.23
O=C(C1=CON=C1C1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147706	0	39	-1.0	-45.89	316.47	4.75	-41.14
O=C(C1=CON=C1C1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147706	1	39	-1.0	-45.91	316.53	4.77	-41.14
CC1(C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1C(F)(F)F	REAL300020147707	0	42	-1.0	-46.24	332.11	5.55	-40.69
CC1(C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1C(F)(F)F	REAL300020147707	1	42	-1.0	-46.26	332.17	5.58	-40.68
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2=CC=CC=C2NC1=O	REAL300020147708	0	44	-1.0	-44.04	337.82	3.81	-40.23
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2=CC=CC=C2NC1=O	REAL300020147708	1	44	-1.0	-44.01	337.87	3.84	-40.17
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL300020147709	0	49	-1.0	-52.06	364.03	7.65	-44.41
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL300020147709	1	49	-1.0	-52.05	364.09	7.68	-44.37
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCCC1CC(=O)CC2	REAL300020147710	0	45	-1.0	-47.74	321.51	4.71	-43.03
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCCC1CC(=O)CC2	REAL300020147710	1	45	-1.0	-47.75	321.57	4.74	-43.01
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(F)C=C2)CCCCO1	REAL300020147711	0	50	-1.0	-49.98	370.59	7.88	-42.10
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(F)C=C2)CCCCO1	REAL300020147711	1	50	-1.0	-49.99	370.65	7.91	-42.08
O=C(C1=CC=C2C(=C1)CCNC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147712	0	41	-1.0	-51.41	329.52	2.87	-48.54
O=C(C1=CC=C2C(=C1)CCNC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147712	1	41	-1.0	-51.40	329.58	2.89	-48.51
CC(C)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1=O	REAL300020147713	0	46	-1.0	-46.62	347.08	4.39	-42.23
CC(C)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1=O	REAL300020147713	1	46	-1.0	-46.63	347.14	4.42	-42.21
O=C(C1=CC=C2CNC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147714	0	38	-1.0	-51.51	312.84	1.92	-49.59
O=C(C1=CC=C2CNC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147714	1	38	-1.0	-51.49	312.90	1.95	-49.54
CCOC(=O)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020147715	0	38	-1.0	-50.14	333.73	3.99	-46.15
CCOC(=O)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020147715	1	38	-1.0	-50.11	333.67	3.97	-46.14
C[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020147716	0	45	-1.0	-45.63	368.28	7.71	-37.92
C[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020147716	1	45	-1.0	-45.63	368.33	7.73	-37.90
C[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C2OCOC2=C1	REAL300020147717	0	45	-1.0	-48.53	355.54	5.34	-43.19
C[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C2OCOC2=C1	REAL300020147717	1	45	-1.0	-48.55	355.60	5.36	-43.19
O=C(CC1CCCC2(CCC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147718	0	47	-1.0	-50.46	354.62	6.24	-44.22
O=C(CC1CCCC2(CCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147718	1	47	-1.0	-50.45	354.67	6.26	-44.19
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCCCO1	REAL300020147719	0	40	-1.0	-38.90	307.90	3.77	-35.13
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCCCO1	REAL300020147719	1	40	-1.0	-38.93	307.96	3.79	-35.14
O=C([C@@H]1CCO[C@H]1C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147720	0	44	-1.0	-46.85	349.59	5.46	-41.39
O=C([C@@H]1CCO[C@H]1C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147720	1	44	-1.0	-46.83	349.64	5.48	-41.35
CC1=NN(C(C)C)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147721	0	45	-1.0	-46.62	360.45	5.02	-41.60
CC1=NN(C(C)C)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147721	1	45	-1.0	-46.63	360.51	5.04	-41.59
O=C(C1=CON=C1C1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147722	0	40	-1.0	-48.43	324.97	2.91	-45.52
O=C(C1=CON=C1C1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147722	1	40	-1.0	-48.41	325.03	2.94	-45.47
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020147723	0	53	-1.0	-53.09	402.56	5.54	-47.55
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020147723	1	53	-1.0	-53.11	402.62	5.57	-47.54
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020147724	0	53	-1.0	-52.96	405.49	4.81	-48.15
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020147724	1	53	-1.0	-52.88	405.55	4.84	-48.04
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147725	0	53	-1.0	-43.88	405.31	5.50	-38.38
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147725	1	53	-1.0	-43.90	405.37	5.53	-38.37
CC1=C(Br)C=NN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147726	0	36	-1.0	-51.24	317.31	3.88	-47.36
CC1=C(Br)C=NN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147726	1	36	-1.0	-51.22	317.37	3.91	-47.31
O=C(C1CNC(=O)CC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147727	0	44	-1.0	-54.86	332.61	2.59	-52.27
O=C(C1CNC(=O)CC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147727	1	44	-1.0	-54.85	332.67	2.61	-52.24
O=C(CSC1=CC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147728	0	37	-1.0	-50.14	332.39	6.51	-43.63
O=C(CSC1=CC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147728	1	37	-1.0	-50.18	332.45	6.54	-43.64
O=C(C1=CNC2=CC(Cl)=C(Cl)C=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147729	0	39	-1.0	-59.32	357.54	5.42	-53.90
O=C(C1=CNC2=CC(Cl)=C(Cl)C=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147729	1	39	-1.0	-59.34	357.60	5.45	-53.89
COC1C[C@@H]2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@H]12	REAL300020147730	0	44	-1.0	-50.78	329.16	4.39	-46.39
COC1C[C@@H]2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@H]12	REAL300020147730	1	44	-1.0	-50.72	329.22	4.42	-46.30
O=C(CC1COCCN1CC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147731	0	45	-1.0	-46.79	353.11	1.98	-44.81
O=C(CC1COCCN1CC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147731	1	45	-1.0	-46.82	353.17	2.00	-44.82
CC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C2O1	REAL300020147732	0	39	-1.0	-41.81	321.40	5.66	-36.15
CC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C2O1	REAL300020147732	1	39	-1.0	-41.81	321.46	5.69	-36.12
C=C(F)C1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020147733	0	54	-1.0	-45.85	421.34	5.84	-40.01
C=C(F)C1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020147733	1	54	-1.0	-45.80	421.40	5.87	-39.93
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020147734	0	59	-1.0	-47.65	434.48	6.67	-40.98
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020147734	1	59	-1.0	-47.63	434.54	6.70	-40.93
C[C@@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CN1C(=O)OC(C)(C)C	REAL300020147735	0	56	-1.0	-55.80	405.75	6.52	-49.28
C[C@@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CN1C(=O)OC(C)(C)C	REAL300020147735	1	56	-1.0	-55.77	405.80	6.54	-49.23
CC1(C)C2CCC1(CC(=O)N1CCCC(C3=N[N-]N=N3)C1)CC2	REAL300020147736	0	49	-1.0	-46.12	347.07	6.71	-39.41
CC1(C)C2CCC1(CC(=O)N1CCCC(C3=NN=N[N-]3)C1)CC2	REAL300020147736	1	49	-1.0	-46.13	347.13	6.73	-39.40
O=C(CN1C=C(C2CCOC2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147737	0	44	-1.0	-56.29	351.86	3.50	-52.79
O=C(CN1C=C(C2CCOC2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147737	1	44	-1.0	-56.33	351.81	3.47	-52.86
O=C(C1CCC2(CCC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147738	0	46	-1.0	-45.89	340.00	6.53	-39.36
O=C(C1CCC2(CCC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147738	1	46	-1.0	-45.86	340.06	6.55	-39.31
CCC1=CC2=C(OCC2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147739	0	44	-1.0	-51.71	349.65	5.74	-45.97
CCC1=CC2=C(OCC2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147739	1	44	-1.0	-51.72	349.71	5.77	-45.95
O=C(CCC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147740	0	53	-1.0	-47.59	427.37	9.54	-38.05
O=C(CCC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147740	1	53	-1.0	-47.60	427.43	9.56	-38.04
O=C(C1=C2C=CSC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147741	0	36	-1.0	-39.01	306.20	5.76	-33.25
O=C(C1=C2C=CSC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147741	1	36	-1.0	-38.99	306.25	5.78	-33.21
O=C(C1=CC=C(CN2C=C(Cl)C=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147742	0	43	-1.0	-51.53	370.82	6.60	-44.93
O=C(C1=CC=C(CN2C=C(Cl)C=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147742	1	43	-1.0	-51.57	370.76	6.58	-44.99
O=C(C1=CC(C(F)(F)F)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147743	0	33	-1.0	-35.60	300.04	4.45	-31.15
O=C(C1=CC(C(F)(F)F)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147743	1	33	-1.0	-35.65	300.10	4.48	-31.17
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147744	0	40	-1.0	-49.67	336.92	-2.58	-52.25
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147744	1	40	-1.0	-49.72	336.98	-2.56	-52.28
O=C(C1=CC=CC(OCC2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147745	0	44	-1.0	-41.26	352.93	6.23	-35.03
O=C(C1=CC=CC(OCC2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147745	1	44	-1.0	-41.27	352.99	6.26	-35.01
CSC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020147746	0	37	-1.0	-38.16	325.30	5.94	-32.22
CSC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020147746	1	37	-1.0	-38.19	325.36	5.96	-32.23
CC1=C(Cl)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020147747	0	36	-1.0	-42.26	324.03	6.05	-36.21
CC1=C(Cl)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020147747	1	36	-1.0	-42.20	324.08	6.07	-36.13
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC=C1	REAL300020147748	0	50	-1.0	-50.55	396.27	3.19	-47.36
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC=C1	REAL300020147748	1	50	-1.0	-50.58	396.33	3.22	-47.36
CC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020147749	0	56	-1.0	-54.83	413.64	6.72	-48.11
CC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020147749	1	56	-1.0	-54.83	413.70	6.74	-48.09
O=C(C1=C2SC(C(F)F)=NC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147750	0	38	-1.0	-41.09	337.86	4.92	-36.17
O=C(C1=C2SC(C(F)F)=NC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147750	1	38	-1.0	-41.06	337.92	4.95	-36.11
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147751	0	55	-1.0	-53.39	393.74	4.37	-49.02
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147751	1	55	-1.0	-53.43	393.80	4.39	-49.04
CC(F)(F)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147752	0	39	-1.0	-47.54	323.12	5.94	-41.60
CC(F)(F)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147752	1	39	-1.0	-47.52	323.17	5.97	-41.55
O=C(C1=CC=C2C=CSC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147753	0	36	-1.0	-44.77	307.58	5.82	-38.95
O=C(C1=CC=C2C=CSC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147753	1	36	-1.0	-44.77	307.64	5.84	-38.93
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=N1	REAL300020147754	0	39	-1.0	-43.48	318.69	1.76	-41.72
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=N1	REAL300020147754	1	39	-1.0	-43.46	318.75	1.79	-41.67
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=NN2C)=N1	REAL300020147755	0	43	-1.0	-54.21	349.23	3.07	-51.14
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=NN2C)=N1	REAL300020147755	1	43	-1.0	-54.24	349.28	3.09	-51.15
CC1=NC=C2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2=N1	REAL300020147756	0	44	-1.0	-38.59	344.63	4.90	-33.69
CC1=NC=C2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2=N1	REAL300020147756	1	44	-1.0	-38.60	344.68	4.93	-33.67
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=CO1	REAL300020147757	0	39	-1.0	-48.76	334.47	5.17	-43.59
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020147757	1	39	-1.0	-48.76	334.53	5.20	-43.56
CCC1=NC=C2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2=N1	REAL300020147758	0	47	-1.0	-38.57	366.11	5.51	-33.06
CCC1=NC=C2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2=N1	REAL300020147758	1	47	-1.0	-38.56	366.17	5.53	-33.03
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)OC1=CC=CC=C1	REAL300020147759	0	37	-1.0	-42.59	309.77	5.38	-37.21
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)OC1=CC=CC=C1	REAL300020147759	1	37	-1.0	-42.60	309.83	5.40	-37.20
CC(NC(=O)OC(C)(C)C)C1=NOC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147760	0	52	-1.0	-51.81	414.32	3.25	-48.56
CC(NC(=O)OC(C)(C)C)C1=NOC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147760	1	52	-1.0	-51.82	414.37	3.28	-48.54
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147761	0	53	-1.0	-51.53	395.60	4.71	-46.82
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147761	1	53	-1.0	-51.53	395.66	4.73	-46.80
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147762	0	57	-1.0	-55.15	429.98	6.77	-48.38
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147762	1	57	-1.0	-55.09	430.04	6.80	-48.29
CC1=CN(CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020147763	0	46	-1.0	-51.74	375.63	6.77	-44.97
CC1=CN(CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)N=C1	REAL300020147763	1	46	-1.0	-51.74	375.57	6.74	-45.00
O=C([C@@H]1OCCC[C@@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147764	0	47	-1.0	-45.10	343.83	6.10	-39.00
O=C([C@@H]1OCCC[C@@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147764	1	47	-1.0	-45.15	343.89	6.13	-39.02
O=C([C@@H]1OCCC[C@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147765	0	47	-1.0	-51.04	352.01	6.29	-44.75
O=C([C@@H]1OCCC[C@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147765	1	47	-1.0	-51.01	352.06	6.32	-44.69
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCNS1(=O)=O	REAL300020147766	0	41	-1.0	-44.48	310.23	-0.58	-45.06
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCNS1(=O)=O	REAL300020147766	1	41	-1.0	-44.50	310.29	-0.55	-45.05
O=C(CCC1=CC=C(Br)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147767	0	36	-1.0	-44.61	327.96	6.06	-38.55
O=C(CCC1=CC=C(Br)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147767	1	36	-1.0	-44.64	328.02	6.09	-38.55
C[C@@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020147768	0	56	-1.0	-55.82	408.95	7.07	-48.75
C[C@@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020147768	1	56	-1.0	-55.83	409.01	7.10	-48.73
CC(C)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(F)F	REAL300020147769	0	41	-1.0	-42.21	311.63	4.92	-37.29
CC(C)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(F)F	REAL300020147769	1	41	-1.0	-42.23	311.69	4.95	-37.28
CN1C=CC(C23CC(CC2)C3C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020147770	0	47	-1.0	-53.73	365.57	5.98	-47.75
CN1C=CC(C23CC(CC2)C3C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020147770	1	47	-1.0	-53.78	365.51	5.95	-47.83
COC1=CC=C(Br)C(F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147771	0	37	-1.0	-50.43	330.30	4.59	-45.84
COC1=CC=C(Br)C(F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147771	1	37	-1.0	-50.41	330.36	4.61	-45.80
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2CC2CC2)S1	REAL300020147772	0	47	-1.0	-45.23	384.54	8.29	-36.94
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2CC2CC2)S1	REAL300020147772	1	47	-1.0	-45.22	384.60	8.32	-36.90
O=C(CCC=CBr)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147773	0	33	-1.0	-45.28	290.48	4.51	-40.77
O=C(CCC=CBr)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147773	1	33	-1.0	-45.34	290.53	4.53	-40.81
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147774	0	57	-1.0	-47.12	419.04	3.74	-43.38
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147774	1	57	-1.0	-47.14	419.10	3.77	-43.37
CC1=CC(F)=CC(C(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147775	0	42	-1.0	-36.95	336.63	6.57	-30.38
CC1=CC(F)=CC(C(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147775	1	42	-1.0	-36.97	336.68	6.59	-30.38
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147776	0	39	-1.0	-45.81	332.33	3.76	-42.05
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147776	1	39	-1.0	-45.84	332.27	3.74	-42.10
O=C(C1=CC2=C(C=CS2)N1CC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147777	0	40	-1.0	-45.99	348.04	6.31	-39.68
O=C(C1=CC2=C(C=CS2)N1CC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147777	1	40	-1.0	-46.00	348.10	6.33	-39.67
CC1(C)CCC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(Cl)N=C2C1	REAL300020147778	0	48	-1.0	-47.53	378.93	6.43	-41.10
CC1(C)CCC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(Cl)N=C2C1	REAL300020147778	1	48	-1.0	-47.55	378.99	6.46	-41.09
O=C(CC(C1=CC=CC=C1F)C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147779	0	42	-1.0	-47.97	343.56	6.78	-41.19
O=C(CC(C1=CC=CC=C1F)C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147779	1	42	-1.0	-47.99	343.62	6.81	-41.18
O=C(C1CCCC2=CC=NN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147780	0	40	-1.0	-46.00	307.57	4.45	-41.55
O=C(C1CCCC2=CC=NN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147780	1	40	-1.0	-45.99	307.63	4.48	-41.51
O=C(COC1=CC=CC=C1C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147781	0	40	-1.0	-56.89	336.17	6.31	-50.58
O=C(COC1=CC=CC=C1C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147781	1	40	-1.0	-56.87	336.23	6.34	-50.53
O=C(C1=CC=CC(C2CC2(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147782	0	40	-1.0	-51.83	328.75	6.59	-45.24
O=C(C1=CC=CC(C2CC2(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147782	1	40	-1.0	-51.83	328.80	6.62	-45.21
CC1=NC(C2CC2)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147783	0	41	-1.0	-42.62	331.41	4.62	-38.00
CC1=NC(C2CC2)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147783	1	41	-1.0	-42.55	331.47	4.64	-37.91
CCOC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)SC2=NC=C1	REAL300020147784	0	42	-1.0	-43.95	352.85	4.18	-39.77
CCOC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)SC2=NC=C1	REAL300020147784	1	42	-1.0	-43.92	352.79	4.15	-39.77
CC1=NN=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)N1C	REAL300020147785	0	41	-1.0	-52.14	331.47	5.08	-47.06
CC1=NN=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)N1C	REAL300020147785	1	41	-1.0	-52.21	331.53	5.10	-47.11
CCC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020147786	0	40	-1.0	-42.32	322.39	3.54	-38.78
CCC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020147786	1	40	-1.0	-42.32	322.44	3.56	-38.76
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147787	0	48	-1.0	-42.83	374.75	3.65	-39.18
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147787	1	48	-1.0	-42.82	374.81	3.67	-39.15
O=C([C@@H]1CO[C@@H]2CCCC[C@@H]21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147788	0	44	-1.0	-47.15	323.96	4.12	-43.03
O=C([C@@H]1CO[C@@H]2CCCC[C@@H]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147788	1	44	-1.0	-47.17	324.02	4.14	-43.03
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147789	0	54	-1.0	-54.14	408.47	6.00	-48.14
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147789	1	54	-1.0	-54.13	408.53	6.03	-48.10
O=C(C1CC2CC1C1C2C1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147790	0	41	-1.0	-46.97	314.54	5.88	-41.09
O=C(C1CC2CC1C1C2C1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147790	1	41	-1.0	-46.99	314.60	5.91	-41.08
O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147791	0	43	-1.0	-47.37	341.58	5.48	-41.89
O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147791	1	43	-1.0	-47.38	341.52	5.46	-41.92
O=C(C1CCC2(CC1)COCCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147792	0	48	-1.0	-47.28	349.44	3.62	-43.66
O=C(C1CCC2(CC1)COCCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147792	1	48	-1.0	-47.27	349.49	3.65	-43.62
O=C(C1=CC=NC2=NC=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147793	0	36	-1.0	-54.92	301.31	2.16	-52.76
O=C(C1=CC=NC2=NC=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147793	1	36	-1.0	-54.93	301.25	2.13	-52.80
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCCC1	REAL300020147794	0	59	-1.0	-52.40	410.30	7.01	-45.39
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCCC1	REAL300020147794	1	59	-1.0	-52.34	410.36	7.04	-45.30
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147795	0	36	-1.0	-41.80	323.57	5.85	-35.95
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147795	1	36	-1.0	-41.77	323.63	5.88	-35.89
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147796	0	59	-1.0	-49.59	440.77	5.40	-44.19
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147796	1	59	-1.0	-49.55	440.82	5.42	-44.13
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147797	0	44	-1.0	-48.04	350.41	7.25	-40.79
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147797	1	44	-1.0	-48.02	350.47	7.27	-40.75
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147798	0	39	-1.0	-47.29	328.60	-1.80	-49.09
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147798	1	39	-1.0	-47.29	328.55	-1.82	-49.11
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147799	0	40	-1.0	-50.17	312.91	5.58	-44.59
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147799	1	40	-1.0	-50.19	312.96	5.61	-44.58
CC1=NN(C2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147800	0	43	-1.0	-56.40	347.05	6.62	-49.78
CC1=NN(C2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147800	1	43	-1.0	-56.40	347.10	6.64	-49.76
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300020147801	0	43	-1.0	-45.92	342.49	6.90	-39.02
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300020147801	1	43	-1.0	-45.93	342.55	6.93	-39.00
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C(Br)O1	REAL300020147802	0	36	-1.0	-42.87	319.73	4.83	-38.04
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C(Br)O1	REAL300020147802	1	36	-1.0	-42.86	319.79	4.85	-38.01
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147803	0	47	-1.0	-51.69	359.10	5.72	-45.97
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147803	1	47	-1.0	-51.71	359.05	5.69	-46.02
CC12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)C1(CCC1)O2	REAL300020147804	0	45	-1.0	-34.29	332.87	4.44	-29.85
CC12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)C1(CCC1)O2	REAL300020147804	1	45	-1.0	-34.29	332.92	4.47	-29.82
CC12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)C1(CCOCC1)O2	REAL300020147805	0	49	-1.0	-46.73	353.82	2.84	-43.89
CC12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)C1(CCOCC1)O2	REAL300020147805	1	49	-1.0	-46.73	353.88	2.87	-43.86
CC1=COC(C(C)C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147806	0	42	-1.0	-46.01	340.92	5.51	-40.50
CC1=COC(C(C)C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147806	1	42	-1.0	-46.02	340.98	5.53	-40.49
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147807	0	57	-1.0	-57.49	410.01	6.82	-50.67
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147807	1	57	-1.0	-57.51	410.07	6.84	-50.67
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147808	0	41	-1.0	-50.69	328.91	2.07	-48.62
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147808	1	41	-1.0	-50.66	328.97	2.09	-48.57
O=C(C1=NNC2=CC=C(F)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147809	0	36	-1.0	-41.64	302.25	3.73	-37.91
O=C(C1=NNC2=CC=C(F)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147809	1	36	-1.0	-41.68	302.31	3.75	-37.93
COC1=CC=C(C23CC(CC2)C3C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147810	0	51	-1.0	-48.43	385.46	7.47	-40.96
COC1=CC=C(C23CC(CC2)C3C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147810	1	51	-1.0	-48.38	385.52	7.50	-40.88
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCOCC2)CCOCC1	REAL300020147811	0	51	-1.0	-50.38	346.08	2.77	-47.61
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCOCC2)CCOCC1	REAL300020147811	1	51	-1.0	-50.33	346.14	2.79	-47.54
O=C(C1=CC=CC=C1C1CC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147812	0	40	-1.0	-48.82	328.08	6.59	-42.23
O=C(C1=CC=CC=C1C1CC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147812	1	40	-1.0	-48.84	328.14	6.62	-42.22
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147813	0	37	-1.0	-43.33	308.94	3.08	-40.25
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147813	1	37	-1.0	-43.38	309.00	3.11	-40.27
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147814	0	37	-1.0	-47.21	315.36	3.35	-43.86
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147814	1	37	-1.0	-47.19	315.42	3.37	-43.82
CCC1=NN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020147815	0	39	-1.0	-42.99	336.40	4.13	-38.86
CCC1=NN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020147815	1	39	-1.0	-42.98	336.46	4.15	-38.83
O=C(CSC1=CC=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147816	0	37	-1.0	-49.47	319.60	6.02	-43.45
O=C(CSC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147816	1	37	-1.0	-49.49	319.66	6.05	-43.44
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147817	0	34	-1.0	-44.08	302.93	3.70	-40.38
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147817	1	34	-1.0	-44.08	302.98	3.72	-40.36
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147818	0	43	-1.0	-54.50	355.48	4.48	-50.02
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147818	1	43	-1.0	-54.51	355.54	4.50	-50.01
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147819	0	36	-1.0	-41.29	323.52	6.11	-35.18
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147819	1	36	-1.0	-41.29	323.58	6.14	-35.15
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147820	0	40	-1.0	-56.85	325.19	2.67	-54.18
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147820	1	40	-1.0	-56.83	325.13	2.65	-54.18
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147821	0	44	-1.0	-42.48	356.14	5.28	-37.20
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147821	1	44	-1.0	-42.49	356.20	5.30	-37.19
CCC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020147822	0	43	-1.0	-41.95	347.08	4.21	-37.74
CCC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020147822	1	43	-1.0	-41.97	347.13	4.23	-37.74
CC(C)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=CO1	REAL300020147823	0	42	-1.0	-47.64	356.80	5.80	-41.84
CC(C)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020147823	1	42	-1.0	-47.64	356.86	5.83	-41.81
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=CO1	REAL300020147824	0	39	-1.0	-47.71	339.53	5.32	-42.39
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020147824	1	39	-1.0	-47.69	339.59	5.34	-42.35
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCCO2)CC1	REAL300020147825	0	44	-1.0	-45.68	331.60	4.75	-40.93
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCCO2)CC1	REAL300020147825	1	44	-1.0	-45.70	331.66	4.77	-40.93
CC1(C)CCC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(Cl)N=C2C1	REAL300020147826	0	48	-1.0	-47.53	378.93	6.43	-41.10
CC1(C)CCC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(Cl)N=C2C1	REAL300020147826	1	48	-1.0	-47.55	378.99	6.46	-41.09
O=C(C1=CC(C2CC2)=NNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147827	0	39	-1.0	-52.87	325.69	2.38	-50.49
O=C(C1=CC(C2CC2)=NNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147827	1	39	-1.0	-52.85	325.75	2.41	-50.44
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300020147828	0	47	-1.0	-46.23	354.00	6.15	-40.08
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300020147828	1	47	-1.0	-46.17	354.06	6.17	-40.00
CC1=CC(C)=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020147829	0	43	-1.0	-45.06	343.43	6.20	-38.86
CC1=CC(C)=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020147829	1	43	-1.0	-45.05	343.49	6.22	-38.83
CC1=NC2=C(NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)S1	REAL300020147830	0	36	-1.0	-46.56	307.77	2.82	-43.74
CC1=NC2=C(NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)S1	REAL300020147830	1	36	-1.0	-46.56	307.82	2.85	-43.71
CC1(C)OCC2=C1NN=C2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147831	0	41	-1.0	-40.76	327.34	2.03	-38.73
CC1(C)OCC2=C1NN=C2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147831	1	41	-1.0	-40.75	327.40	2.06	-38.69
CC1(C)OCC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NN=C21	REAL300020147831	1	41	-1.0	-43.30	327.64	1.86	-41.44
CC1(C)OCC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NN=C21	REAL300020147831	1	41	-1.0	-43.32	327.70	1.88	-41.44
O=C(C1=CC(C2CCOCC2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147832	0	44	-1.0	-44.05	343.34	2.64	-41.41
O=C(C1=CC(C2CCOCC2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147832	1	44	-1.0	-44.04	343.40	2.66	-41.38
O=C(C1=CN(C2CCCC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147833	0	43	-1.0	-47.40	335.08	4.83	-42.57
O=C(C1=CN(C2CCCC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147833	1	43	-1.0	-47.39	335.03	4.80	-42.59
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020147834	0	51	-1.0	-42.67	376.39	6.48	-36.19
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020147834	1	51	-1.0	-42.67	376.45	6.50	-36.17
COC1=CC=C(N2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C(C)C)C=C1	REAL300020147835	0	53	-1.0	-46.93	405.65	6.09	-40.84
COC1=CC=C(N2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C(C)C)C=C1	REAL300020147835	1	53	-1.0	-46.88	405.70	6.11	-40.77
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147836	0	39	-1.0	-46.08	319.02	5.09	-40.99
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147836	1	39	-1.0	-46.11	319.08	5.12	-40.99
O=C(CCN1C=CC2=CC=CN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147837	0	42	-1.0	-48.81	343.89	6.65	-42.16
O=C(CCN1C=CC2=CC=CN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147837	1	42	-1.0	-48.80	343.84	6.62	-42.18
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020147838	0	38	-1.0	-52.02	322.13	6.65	-45.37
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020147838	1	38	-1.0	-52.03	322.19	6.67	-45.36
CCCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020147839	0	38	-1.0	-45.52	319.33	4.50	-41.02
CCCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020147839	1	38	-1.0	-45.53	319.39	4.53	-41.00
CC1=NN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020147840	0	36	-1.0	-43.05	314.94	3.39	-39.66
CC1=NN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020147840	1	36	-1.0	-43.08	315.00	3.41	-39.67
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL300020147841	0	43	-1.0	-45.52	335.76	5.08	-40.44
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL300020147841	1	43	-1.0	-45.56	335.81	5.10	-40.46
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147842	0	39	-1.0	-58.45	338.06	2.52	-55.93
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147842	1	39	-1.0	-58.43	338.12	2.55	-55.88
COC1=CC=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=N1	REAL300020147843	0	40	-1.0	-44.44	327.74	2.66	-41.78
COC1=CC=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=N1	REAL300020147843	1	40	-1.0	-44.40	327.79	2.69	-41.71
COC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020147844	0	39	-1.0	-45.60	335.90	4.92	-40.68
COC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020147844	1	39	-1.0	-45.58	335.95	4.94	-40.64
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147845	0	46	-1.0	-46.52	360.97	2.08	-44.44
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147845	1	46	-1.0	-46.57	361.03	2.10	-44.47
CC(C)(C)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1	REAL300020147846	0	42	-1.0	-45.90	332.05	4.39	-41.51
CC(C)(C)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1	REAL300020147846	1	42	-1.0	-45.97	332.11	4.42	-41.55
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147847	0	36	-1.0	-53.39	318.15	4.77	-48.62
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147847	1	36	-1.0	-53.34	318.09	4.74	-48.60
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020147848	0	39	-1.0	-38.32	352.52	5.57	-32.75
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020147848	1	39	-1.0	-38.32	352.57	5.60	-32.72
CCN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020147849	0	39	-1.0	-51.29	321.48	4.34	-46.95
CCN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020147849	1	39	-1.0	-51.32	321.54	4.37	-46.95
COC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1F	REAL300020147850	0	36	-1.0	-43.26	298.54	2.95	-40.31
COC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1F	REAL300020147850	1	36	-1.0	-43.23	298.48	2.92	-40.31
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147851	0	42	-1.0	-43.40	357.38	4.86	-38.54
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147851	1	42	-1.0	-43.43	357.44	4.89	-38.54
O=C(CSC1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147852	0	37	-1.0	-48.77	329.92	6.46	-42.31
O=C(CSC1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147852	1	37	-1.0	-48.71	329.97	6.49	-42.22
COCC1=CN=C(OC)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147853	0	43	-1.0	-50.09	353.37	1.16	-48.93
COCC1=CN=C(OC)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147853	1	43	-1.0	-50.11	353.31	1.13	-48.98
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147854	0	46	-1.0	-45.56	370.28	8.12	-37.44
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147854	1	46	-1.0	-45.56	370.34	8.15	-37.41
COC1=CC=C(C(C)=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147855	0	44	-1.0	-45.49	352.93	6.03	-39.46
COC1=CC=C(C(C)=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147855	1	44	-1.0	-45.55	352.98	6.06	-39.49
O=C(CN1N=NC(C2CC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147856	0	38	-1.0	-54.19	318.44	2.95	-51.24
O=C(CN1N=NC(C2CC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147856	1	38	-1.0	-54.17	318.50	2.97	-51.20
CC1(C)OC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020147857	0	42	-1.0	-47.77	336.92	4.68	-43.09
CC1(C)OC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020147857	1	42	-1.0	-47.76	336.97	4.71	-43.05
COC1=CC=C(C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)F)C=C1	REAL300020147858	0	46	-1.0	-46.60	368.53	6.05	-40.55
COC1=CC=C(C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)F)C=C1	REAL300020147858	1	46	-1.0	-46.62	368.59	6.08	-40.54
COC1=CC2=C(OCC2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147859	0	42	-1.0	-50.41	336.45	3.60	-46.81
COC1=CC2=C(OCC2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147859	1	42	-1.0	-50.45	336.51	3.62	-46.83
CC1=CC(=O)N(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020147860	0	41	-1.0	-52.64	336.52	4.84	-47.80
CC1=CC(=O)N(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020147860	1	41	-1.0	-52.64	336.58	4.87	-47.77
O=C(C1=C2OC=CC2=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147861	0	36	-1.0	-50.03	317.79	5.40	-44.63
O=C(C1=C2OC=CC2=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147861	1	36	-1.0	-50.06	317.85	5.42	-44.64
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C2=CC=C(F)C=C2)S1	REAL300020147862	0	42	-1.0	-47.75	365.97	6.10	-41.65
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C2=CC=C(F)C=C2)S1	REAL300020147862	1	42	-1.0	-47.76	366.02	6.13	-41.63
CC1=CSC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CN=C12	REAL300020147863	0	37	-1.0	-41.67	318.55	5.14	-36.53
CC1=CSC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CN=C12	REAL300020147863	1	37	-1.0	-41.72	318.49	5.11	-36.61
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147864	0	47	-1.0	-48.69	372.50	4.93	-43.76
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147864	1	47	-1.0	-48.71	372.55	4.96	-43.75
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020147865	0	50	-1.0	-60.45	396.60	2.98	-57.47
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020147865	1	50	-1.0	-60.45	396.66	3.00	-57.45
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147866	0	54	-1.0	-55.98	419.79	5.32	-50.66
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147866	1	54	-1.0	-56.00	419.85	5.35	-50.65
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147867	0	53	-1.0	-38.61	402.54	4.16	-34.45
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147867	1	53	-1.0	-38.60	402.60	4.18	-34.42
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147868	0	56	-1.0	-49.60	430.36	5.07	-44.53
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147868	1	56	-1.0	-49.61	430.42	5.09	-44.52
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147869	0	53	-1.0	-47.93	416.65	2.36	-45.57
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147869	1	53	-1.0	-47.92	416.71	2.39	-45.53
O=C(CC1=NN=C2COCCN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147870	0	40	-1.0	-55.65	323.75	2.90	-52.75
O=C(CC1=NN=C2COCCN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147870	1	40	-1.0	-55.67	323.81	2.93	-52.74
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(N)C(OC)=C1OC	REAL300020147871	0	47	-1.0	-44.23	377.32	1.80	-42.43
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(N)C(OC)=C1OC	REAL300020147871	1	47	-1.0	-44.22	377.38	1.83	-42.39
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147872	0	35	-1.0	-40.67	314.95	3.57	-37.10
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147872	1	35	-1.0	-40.63	315.01	3.60	-37.03
NC1=CC=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147873	0	35	-1.0	-42.44	304.25	3.09	-39.35
NC1=CC=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147873	1	35	-1.0	-42.47	304.31	3.11	-39.36
NC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147874	0	35	-1.0	-42.55	299.70	2.98	-39.57
NC1=CC=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147874	1	35	-1.0	-42.62	299.75	3.01	-39.61
NC1=CC=C(I)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147875	0	35	-1.0	-42.20	310.73	3.56	-38.64
NC1=CC=C(I)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147875	1	35	-1.0	-42.22	310.79	3.59	-38.63
NC1=C(Cl)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147876	0	35	-1.0	-43.81	297.15	3.04	-40.77
NC1=C(Cl)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147876	1	35	-1.0	-43.84	297.21	3.06	-40.78
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC=C1C(F)(F)F	REAL300020147877	0	38	-1.0	-44.03	318.08	3.66	-40.37
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC=C1C(F)(F)F	REAL300020147877	1	38	-1.0	-44.00	318.13	3.69	-40.31
NC1=CC(F)=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147878	0	35	-1.0	-41.42	295.47	2.59	-38.83
NC1=CC(F)=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147878	1	35	-1.0	-41.43	295.53	2.61	-38.82
CC1=CC(Br)=C(N)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147879	0	38	-1.0	-42.87	323.73	3.87	-39.00
CC1=CC(Br)=C(N)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147879	1	38	-1.0	-42.82	323.78	3.89	-38.93
NC1=C(Br)C=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147880	0	35	-1.0	-40.71	308.73	3.27	-37.44
NC1=C(Br)C=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147880	1	35	-1.0	-40.74	308.79	3.29	-37.45
NC1=C(Br)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147881	0	35	-1.0	-43.72	301.25	3.17	-40.55
NC1=C(Br)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147881	1	35	-1.0	-43.75	301.31	3.20	-40.55
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC(Cl)=C1Cl	REAL300020147882	0	35	-1.0	-42.20	312.34	3.50	-38.70
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC(Cl)=C1Cl	REAL300020147882	1	35	-1.0	-42.23	312.40	3.52	-38.71
CC1=CC=C(F)C(N)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147883	0	38	-1.0	-43.42	312.59	3.10	-40.32
CC1=CC=C(F)C(N)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147883	1	38	-1.0	-43.42	312.65	3.12	-40.30
NC1=C(I)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147884	0	35	-1.0	-43.54	307.18	3.65	-39.89
NC1=C(I)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147884	1	35	-1.0	-43.51	307.24	3.67	-39.84
CC1=CC(F)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020147885	0	38	-1.0	-42.90	308.14	3.33	-39.57
CC1=CC(F)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020147885	1	38	-1.0	-42.92	308.20	3.35	-39.57
NC1=C(F)C=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147886	0	35	-1.0	-40.80	310.59	3.21	-37.59
NC1=C(F)C=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147886	1	35	-1.0	-40.80	310.65	3.24	-37.56
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147887	0	38	-1.0	-42.72	322.04	3.47	-39.25
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147887	1	38	-1.0	-42.72	322.09	3.50	-39.22
CC1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020147888	0	38	-1.0	-42.42	323.03	3.88	-38.54
CC1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020147888	1	38	-1.0	-42.44	323.09	3.90	-38.54
NC1=CC(F)=C(Br)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147889	0	35	-1.0	-40.96	309.75	3.12	-37.84
NC1=CC(F)=C(Br)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147889	1	35	-1.0	-40.94	309.80	3.15	-37.79
CC1=CC(Cl)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020147890	0	38	-1.0	-42.57	318.47	3.77	-38.80
CC1=CC(Cl)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020147890	1	38	-1.0	-42.58	318.52	3.80	-38.78
CC1=CC(Cl)=C(N)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147891	0	38	-1.0	-43.01	319.62	3.73	-39.28
CC1=CC(Cl)=C(N)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147891	1	38	-1.0	-42.97	319.68	3.76	-39.21
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147892	0	35	-1.0	-41.06	305.34	3.02	-38.04
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147892	1	35	-1.0	-40.99	305.40	3.05	-37.94
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147893	0	35	-1.0	-40.62	319.05	3.71	-36.91
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147893	1	35	-1.0	-40.58	319.10	3.74	-36.84
CC1=CN(C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(N)C=C2F)N=C1	REAL300020147894	0	45	-1.0	-44.39	366.33	4.33	-40.06
CC1=CN(C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(N)C=C2F)N=C1	REAL300020147894	1	45	-1.0	-44.36	366.27	4.31	-40.05
COC1=CC(N)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1S(C)(=O)=O	REAL300020147895	0	45	-1.0	-52.67	369.96	-0.15	-52.82
COC1=CC(N)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1S(C)(=O)=O	REAL300020147895	1	45	-1.0	-52.73	370.02	-0.12	-52.85
CC1=C(Br)C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020147896	0	38	-1.0	-42.37	318.55	3.74	-38.63
CC1=C(Br)C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020147896	1	38	-1.0	-42.34	318.61	3.77	-38.57
CC1=C(F)C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020147897	0	38	-1.0	-42.55	305.79	3.26	-39.29
CC1=C(F)C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020147897	1	38	-1.0	-42.60	305.85	3.28	-39.32
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(N)=C1Cl	REAL300020147898	0	38	-1.0	-43.86	315.88	3.62	-40.24
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(N)=C1Cl	REAL300020147898	1	38	-1.0	-43.88	315.94	3.64	-40.24
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(N)C=C1F	REAL300020147899	0	38	-1.0	-42.33	309.74	3.16	-39.17
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(N)C=C1F	REAL300020147899	1	38	-1.0	-42.31	309.80	3.19	-39.12
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147900	0	35	-1.0	-40.77	304.64	3.13	-37.64
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147900	1	35	-1.0	-40.74	304.69	3.16	-37.58
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(N)=C1F	REAL300020147901	0	39	-1.0	-45.97	317.64	1.88	-44.09
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(N)=C1F	REAL300020147901	1	39	-1.0	-45.97	317.70	1.91	-44.06
COC1=C(F)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(N)=C1F	REAL300020147902	0	39	-1.0	-41.88	328.71	2.08	-39.80
COC1=C(F)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(N)=C1F	REAL300020147902	1	39	-1.0	-41.86	328.76	2.11	-39.75
NC1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020147903	0	37	-1.0	-42.81	315.79	1.23	-41.58
NC1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020147903	1	37	-1.0	-42.84	315.84	1.25	-41.59
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147904	0	35	-1.0	-40.98	314.64	3.43	-37.55
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147904	1	35	-1.0	-40.97	314.69	3.46	-37.51
NC1=CC(Br)=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147905	0	35	-1.0	-41.06	309.75	3.13	-37.93
NC1=CC(Br)=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147905	1	35	-1.0	-41.02	309.81	3.16	-37.86
COC1=CC(Br)=C(N)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147906	0	39	-1.0	-42.58	330.68	2.46	-40.12
COC1=CC(Br)=C(N)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147906	1	39	-1.0	-42.59	330.74	2.49	-40.10
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC(Cl)=C1F	REAL300020147907	0	35	-1.0	-42.74	304.43	3.06	-39.68
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC(Cl)=C1F	REAL300020147907	1	35	-1.0	-42.75	304.49	3.08	-39.67
COC1=CC(N)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020147908	0	39	-1.0	-43.26	332.87	2.45	-40.81
COC1=CC(N)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020147908	1	39	-1.0	-43.26	332.93	2.47	-40.79
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC(Br)=C1F	REAL300020147909	0	35	-1.0	-42.49	308.84	3.15	-39.34
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC(Br)=C1F	REAL300020147909	1	35	-1.0	-42.49	308.89	3.18	-39.31
CC1=C(F)C=CC(N)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147910	0	38	-1.0	-44.18	312.41	3.05	-41.13
CC1=C(F)C=CC(N)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147910	1	38	-1.0	-44.22	312.46	3.07	-41.15
COC1=CC(OC)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(N)=C1Cl	REAL300020147911	0	43	-1.0	-46.80	359.86	1.79	-45.01
COC1=CC(OC)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(N)=C1Cl	REAL300020147911	1	43	-1.0	-46.79	359.92	1.82	-44.97
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147912	0	32	-1.0	-40.72	301.10	4.45	-36.27
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147912	1	32	-1.0	-40.75	301.04	4.43	-36.32
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147913	0	48	-1.0	-53.41	397.77	-1.05	-54.46
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147913	1	48	-1.0	-53.43	397.83	-1.02	-54.45
O=C(C1=C(Cl)C=CC2=CC=NC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147914	0	38	-1.0	-49.56	330.33	5.42	-44.14
O=C(C1=C(Cl)C=CC2=CC=NC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147914	1	38	-1.0	-49.55	330.28	5.40	-44.15
CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147915	0	57	-1.0	-41.78	420.98	3.15	-38.63
CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147915	1	57	-1.0	-41.80	421.04	3.18	-38.62
O=C(CCC1=C(Br)SC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147916	0	36	-1.0	-45.04	325.09	5.81	-39.23
O=C(CCC1=C(Br)SC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147916	1	36	-1.0	-45.04	325.15	5.84	-39.20
CN1C=C(Br)C(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147917	0	36	-1.0	-65.18	321.59	4.45	-60.73
CN1C=C(Br)C(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147917	1	36	-1.0	-65.18	321.65	4.48	-60.70
CC(C)(C)OC1CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020147918	0	55	-1.0	-49.80	408.07	6.80	-43.00
CC(C)(C)OC1CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020147918	1	55	-1.0	-49.78	408.12	6.83	-42.95
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300020147919	0	44	0.0	-64.67	323.52	6.45	-58.22
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300020147919	1	44	0.0	-64.56	325.28	5.93	-58.63
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC(C1)CN2C1CC1	REAL300020147919	1	43	-1.0	-38.54	325.23	4.28	-34.26
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(C1)CN2C1CC1	REAL300020147919	1	43	-1.0	-38.52	325.29	4.31	-34.21
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=NNN=C2)CCOCC1	REAL300020147920	0	46	-1.0	-54.34	340.99	1.05	-53.29
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=NNN=C2)CCOCC1	REAL300020147920	1	46	-1.0	-54.27	341.04	1.07	-53.20
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147921	0	35	-1.0	-50.33	311.06	5.86	-44.47
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147921	1	35	-1.0	-50.33	311.00	5.83	-44.50
O=C(C1CC2=CC=CC=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147922	0	41	-1.0	-50.25	330.22	3.58	-46.67
O=C(C1CC2=CC=CC=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147922	1	41	-1.0	-50.25	330.28	3.60	-46.65
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC=C(F)C=C21	REAL300020147923	0	40	-1.0	-44.49	327.92	5.54	-38.95
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC=C(F)C=C21	REAL300020147923	1	40	-1.0	-44.51	327.98	5.57	-38.94
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147924	0	40	-1.0	-36.53	334.22	6.46	-30.07
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147924	1	40	-1.0	-36.52	334.28	6.48	-30.04
O=C(C=CCOC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147925	0	41	-1.0	-49.40	336.68	5.63	-43.77
O=C(C=CCOC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147925	1	41	-1.0	-49.45	336.74	5.65	-43.80
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300020147926	0	44	-1.0	-43.42	366.88	5.22	-38.20
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300020147926	1	44	-1.0	-43.39	366.94	5.25	-38.14
O=C(C1=C(CN2CCOCC2)C=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147927	0	46	-1.0	-39.79	359.22	2.13	-37.66
O=C(C1=C(CN2CCOCC2)C=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147927	1	46	-1.0	-39.77	359.28	2.15	-37.62
O=C(CC1CC(=O)NC(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147928	0	39	-1.0	-56.24	313.68	1.02	-55.22
O=C(CC1CC(=O)NC(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147928	1	39	-1.0	-56.23	313.74	1.05	-55.18
O=C(CC1=CC=CC(F)=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147929	0	37	-1.0	-47.55	310.71	2.72	-44.83
O=C(CC1=CC=CC(F)=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147929	1	37	-1.0	-47.56	310.76	2.74	-44.82
O=C(C1CC2CC(O)CC(C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147930	0	47	-1.0	-46.02	339.76	3.26	-42.76
O=C(C1CC2CC(O)CC(C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147930	1	47	-1.0	-46.05	339.81	3.29	-42.76
O=C(C1=CC2=C(N1)SC(Br)=N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147931	0	33	-1.0	-44.29	307.54	2.69	-41.60
O=C(C1=CC2=C(N1)SC(Br)=N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147931	1	33	-1.0	-44.30	307.60	2.71	-41.59
O=C(C1=CC(C2=CC=NC=C2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147932	0	39	-1.0	-44.55	323.65	3.07	-41.48
O=C(C1=CC(C2=CC=NC=C2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147932	1	39	-1.0	-44.57	323.70	3.09	-41.48
O=C(C1=CC2=CNN=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147933	0	33	-1.0	-46.32	287.13	2.24	-44.08
O=C(C1=CC2=CNN=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147933	1	33	-1.0	-46.30	287.18	2.27	-44.03
CC1=NSC(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147934	0	32	-1.0	-40.97	300.74	3.46	-37.51
CC1=NSC(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147934	1	32	-1.0	-41.00	300.79	3.49	-37.51
CC1=CN2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2=N1	REAL300020147935	0	43	-1.0	-39.33	335.50	5.30	-34.03
CC1=CN2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2=N1	REAL300020147935	1	43	-1.0	-39.36	335.55	5.33	-34.03
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147936	0	35	-1.0	-44.39	313.37	4.80	-39.59
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147936	1	35	-1.0	-44.36	313.32	4.77	-39.59
COC(=O)C1=CC(OC)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020147937	0	43	-1.0	-50.69	362.45	4.71	-45.98
COC(=O)C1=CC(OC)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020147937	1	43	-1.0	-50.67	362.51	4.73	-45.94
NC1=C(Br)C=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147938	0	34	-1.0	-41.28	296.60	1.27	-40.01
NC1=C(Br)C=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147938	1	34	-1.0	-41.32	296.66	1.29	-40.03
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147939	0	43	0.0	-83.66	337.80	2.59	-81.07
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147939	1	43	0.0	-83.70	337.86	2.62	-81.08
O=C(CCN1CCCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147940	0	48	-1.0	-45.16	362.01	5.76	-39.40
O=C(CCN1CCCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147940	1	48	-1.0	-45.19	362.07	5.78	-39.41
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147941	0	50	-1.0	-51.91	392.23	0.66	-51.25
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147941	1	50	-1.0	-51.86	392.29	0.68	-51.18
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(NC(=O)OC(C)(C)C)O1	REAL300020147942	0	49	-1.0	-41.82	388.74	1.71	-40.11
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(NC(=O)OC(C)(C)C)O1	REAL300020147942	1	49	-1.0	-41.86	388.79	1.74	-40.12
O=C(C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020147943	0	35	-1.0	-53.58	324.02	5.88	-47.70
O=C(C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020147943	1	35	-1.0	-53.57	324.08	5.91	-47.66
NS(=O)(=O)C1=CC2=C(SC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)S1	REAL300020147944	0	38	-1.0	-44.08	353.83	-0.12	-44.20
NS(=O)(=O)C1=CC2=C(SC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)S1	REAL300020147944	1	38	-1.0	-44.08	353.89	-0.09	-44.17
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020147945	0	43	-1.0	-51.82	356.90	5.85	-45.97
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020147945	1	43	-1.0	-51.84	356.95	5.88	-45.96
O=C(C(O)CC1=CC=NC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147946	0	39	-1.0	-44.31	330.20	2.46	-41.85
O=C(C(O)CC1=CC=NC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147946	1	39	-1.0	-44.29	330.26	2.49	-41.80
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN21	REAL300020147947	0	40	0.0	-64.94	326.26	6.28	-58.66
CC1=NC=C2C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN21	REAL300020147947	1	39	-1.0	-45.17	322.80	5.83	-39.34
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CN=C2)CC(F)(F)C1	REAL300020147948	0	42	-1.0	-46.69	336.21	4.89	-41.80
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CN=C2)CC(F)(F)C1	REAL300020147948	1	42	-1.0	-46.74	336.16	4.86	-41.88
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147949	0	36	-1.0	-46.44	312.41	4.40	-42.04
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147949	1	36	-1.0	-46.45	312.47	4.42	-42.03
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(O)C=C2)CC1	REAL300020147950	0	41	-1.0	-49.39	330.99	3.51	-45.88
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(O)C=C2)CC1	REAL300020147950	1	41	-1.0	-49.47	331.05	3.53	-45.94
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147951	0	50	-1.0	-41.51	388.94	0.68	-40.83
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147951	1	50	-1.0	-41.53	389.00	0.71	-40.82
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147952	0	41	-2.0	-112.86	336.50	-0.39	-113.25
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147952	1	41	-2.0	-112.83	336.55	-0.36	-113.19
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020147953	0	54	-1.0	-61.94	414.66	5.56	-56.38
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020147953	1	54	-1.0	-61.92	414.71	5.59	-56.33
CC1=C(I)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020147954	0	32	-1.0	-42.61	292.37	4.15	-38.46
CC1=C(I)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020147954	1	32	-1.0	-42.63	292.43	4.17	-38.46
CC1(C2=NOC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)COC1	REAL300020147955	0	40	-1.0	-36.74	323.91	2.39	-34.35
CC1(C2=NOC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)COC1	REAL300020147955	1	40	-1.0	-36.72	323.85	2.37	-34.35
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020147956	0	48	-1.0	-52.96	374.37	4.80	-48.16
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020147956	1	48	-1.0	-52.95	374.43	4.82	-48.13
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147957	0	47	-1.0	-41.63	375.70	2.79	-38.84
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147957	1	47	-1.0	-41.65	375.76	2.82	-38.83
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H](O)C1	REAL300020147958	0	54	-1.0	-57.93	415.60	2.17	-55.76
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H](O)C1	REAL300020147958	1	54	-1.0	-57.93	415.65	2.19	-55.74
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020147959	0	54	-1.0	-61.94	414.66	5.56	-56.38
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020147959	1	54	-1.0	-61.92	414.71	5.59	-56.33
O=C([C@H]1C[C@H](N2C=NN=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147960	0	39	-1.0	-51.54	311.36	6.34	-45.20
O=C([C@H]1C[C@H](N2C=NN=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147960	1	39	-1.0	-51.52	311.30	6.31	-45.21
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147961	0	46	0.0	-71.82	338.38	3.67	-68.15
CC[N@H+]1CCOCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147961	1	46	0.0	-71.84	338.37	3.64	-68.20
CCN1CCOCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147961	1	45	-1.0	-47.35	335.76	1.47	-45.88
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147961	1	46	0.0	-71.83	338.44	3.69	-68.14
CC[N@H+]1CCOCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147961	1	46	0.0	-71.83	338.42	3.67	-68.16
CCN1CCOCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147961	1	45	-1.0	-47.30	335.82	1.50	-45.80
COC(CF)(OC)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147962	0	47	-1.0	-45.36	372.34	4.90	-40.46
COC(CF)(OC)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147962	1	47	-1.0	-45.43	372.40	4.93	-40.50
CCOC(=O)CCC(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147963	0	41	-1.0	-38.97	341.44	4.96	-34.01
CCOC(=O)CCC(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147963	1	41	-1.0	-38.97	341.50	4.99	-33.98
COC1=CC(OC)=C(N)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147964	0	43	-1.0	-45.33	341.62	1.21	-44.12
COC1=CC(OC)=C(N)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147964	1	43	-1.0	-45.30	341.68	1.23	-44.07
COC(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020147965	0	42	-1.0	-48.79	349.22	5.69	-43.10
COC(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020147965	1	42	-1.0	-48.81	349.27	5.72	-43.09
C[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C2OCOC2=C1	REAL300020147966	0	42	-1.0	-46.73	335.77	4.45	-42.28
C[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C2OCOC2=C1	REAL300020147966	1	42	-1.0	-46.73	335.83	4.47	-42.26
CS(=O)(=O)N1CCC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147967	0	48	-1.0	-55.35	386.00	1.92	-53.43
CS(=O)(=O)N1CCC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147967	1	48	-1.0	-55.38	386.06	1.95	-53.43
CC1=CN(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)N=C1	REAL300020147968	0	43	-1.0	-48.94	350.82	6.33	-42.61
CC1=CN(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)N=C1	REAL300020147968	1	43	-1.0	-48.95	350.76	6.31	-42.64
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147969	0	42	-1.0	-38.85	344.17	6.70	-32.15
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147969	1	42	-1.0	-38.89	344.22	6.72	-32.17
N#CC1=CC=CC=C1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020147970	0	44	-1.0	-51.67	368.44	8.17	-43.50
N#CC1=CC=CC=C1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020147970	1	44	-1.0	-51.60	368.50	8.20	-43.40
O=C(C1=CC=CC2=CC(F)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147971	0	39	-1.0	-47.91	320.97	6.75	-41.16
O=C(C1=CC=CC2=CC(F)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147971	1	39	-1.0	-47.90	321.03	6.77	-41.13
CN1C(Br)=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147972	0	33	-1.0	-39.83	289.21	4.24	-35.59
CN1C(Br)=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147972	1	33	-1.0	-39.85	289.15	4.21	-35.64
O=C(CCC1=CSC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147973	0	36	-1.0	-44.93	327.73	5.90	-39.03
O=C(CCC1=CSC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147973	1	36	-1.0	-44.89	327.78	5.92	-38.97
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(CC2=CC=CC=C2)N1	REAL300020147974	0	50	-1.0	-49.26	400.99	8.06	-41.20
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(CC2=CC=CC=C2)N1	REAL300020147974	1	50	-1.0	-49.21	401.05	8.08	-41.13
O=C(C1=CC=NN1C1CC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147975	0	37	-1.0	-45.10	310.56	4.14	-40.96
O=C(C1=CC=NN1C1CC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147975	1	37	-1.0	-45.11	310.51	4.12	-40.99
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147976	0	46	-1.0	-49.23	351.64	4.84	-44.39
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147976	1	46	-1.0	-49.25	351.69	4.86	-44.39
CCOC1=CC=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020147977	0	47	-1.0	-44.17	376.98	5.18	-38.99
CCOC1=CC=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020147977	1	47	-1.0	-44.17	377.04	5.21	-38.96
CCC1=CC=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020147978	0	46	-1.0	-44.53	363.70	6.89	-37.64
CCC1=CC=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020147978	1	46	-1.0	-44.54	363.75	6.92	-37.62
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC(C)=CC(C)=C21	REAL300020147979	0	46	-1.0	-44.00	361.63	6.09	-37.91
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC(C)=CC(C)=C21	REAL300020147979	1	46	-1.0	-44.02	361.68	6.11	-37.91
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC=C(C(C)C)C=C21	REAL300020147980	0	49	-1.0	-44.33	380.87	7.36	-36.97
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC=C(C(C)C)C=C21	REAL300020147980	1	49	-1.0	-44.35	380.93	7.39	-36.96
COC1=CC=CC(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147981	0	37	-1.0	-50.17	323.58	4.48	-45.69
COC1=CC=CC(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147981	1	37	-1.0	-50.16	323.63	4.51	-45.65
O=C(C1=C(F)C=CC(Br)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147982	0	33	-1.0	-46.66	315.67	5.65	-41.01
O=C(C1=C(F)C=CC(Br)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147982	1	33	-1.0	-46.69	315.73	5.67	-41.02
CC1=CC(CC2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=CC=C1F	REAL300020147983	0	46	-1.0	-50.95	363.73	8.04	-42.91
CC1=CC(CC2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=CC=C1F	REAL300020147983	1	46	-1.0	-50.89	363.79	8.07	-42.82
CC1=CC(F)=CC=C1CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147984	0	46	-1.0	-51.17	356.00	7.44	-43.73
CC1=CC(F)=CC=C1CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147984	1	46	-1.0	-51.17	356.06	7.47	-43.70
O=C([C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147985	0	46	-1.0	-52.79	345.63	7.23	-45.56
O=C([C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147985	1	46	-1.0	-52.77	345.68	7.26	-45.51
COC(=O)C1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)SC2=CC=C1	REAL300020147986	0	42	-1.0	-44.75	357.50	6.32	-38.43
COC(=O)C1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)SC2=CC=C1	REAL300020147986	1	42	-1.0	-44.75	357.55	6.35	-38.40
COC(=O)C1=NC=CC=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147987	0	44	-1.0	-52.15	358.00	4.89	-47.26
COC(=O)C1=NC=CC=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147987	1	44	-1.0	-52.16	357.95	4.86	-47.30
CC12CC3(C)CC(O)(C1)CC(C(=O)N1CCCC(C4=N[N-]N=N4)C1)(C2)C3	REAL300020147988	0	54	-1.0	-47.22	376.49	3.72	-43.50
CC12CC3(C)CC(O)(C1)CC(C(=O)N1CCCC(C4=NN=N[N-]4)C1)(C2)C3	REAL300020147988	1	54	-1.0	-47.25	376.55	3.74	-43.51
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020147989	0	53	-1.0	-49.30	407.55	4.06	-45.24
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020147989	1	53	-1.0	-49.29	407.61	4.09	-45.20
CNC(=O)C1=CN=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020147990	0	43	-1.0	-53.97	354.97	2.42	-51.55
CNC(=O)C1=CN=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020147990	1	43	-1.0	-53.98	355.03	2.45	-51.53
O=C(C=CC1=CC=NC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147991	0	36	-1.0	-36.98	315.42	4.61	-32.37
O=C(C=CC1=CC=NC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147991	1	36	-1.0	-36.99	315.48	4.64	-32.35
COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020147992	0	39	-1.0	-45.67	311.09	1.88	-43.79
COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020147992	1	39	-1.0	-45.66	311.15	1.90	-43.76
COC1=CC=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020147993	0	42	-1.0	-44.99	335.45	2.41	-42.58
COC1=CC=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020147993	1	42	-1.0	-45.05	335.51	2.43	-42.62
O=C(C=CC1=CC=NC2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147994	0	42	-1.0	-39.73	342.26	6.23	-33.50
O=C(C=CC1=CC=NC2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147994	1	42	-1.0	-39.79	342.31	6.26	-33.53
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147995	0	40	-1.0	-36.53	334.22	6.46	-30.07
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147995	1	40	-1.0	-36.52	334.28	6.48	-30.04
CC(=CC1=CC=CS1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147996	0	37	-1.0	-44.43	309.61	5.18	-39.25
CC(=CC1=CC=CS1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147996	1	37	-1.0	-44.44	309.66	5.21	-39.23
NS(=O)(=O)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020147997	0	44	-1.0	-54.36	348.70	-0.19	-54.55
NS(=O)(=O)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020147997	1	44	-1.0	-54.39	348.76	-0.16	-54.55
O=C(C1=CC(C2=CC=CC=C2F)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147998	0	39	-1.0	-47.00	330.48	5.79	-41.21
O=C(C1=CC(C2=CC=CC=C2F)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147998	1	39	-1.0	-47.04	330.42	5.76	-41.28
O=C(C(O)C1=CC=C(F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147999	0	37	-1.0	-44.44	319.80	3.69	-40.75
O=C(C(O)C1=CC=C(F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147999	1	37	-1.0	-44.43	319.85	3.71	-40.72
CC1=CC=CC(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148000	0	39	-1.0	-40.25	323.33	6.07	-34.18
CC1=CC=CC(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148000	1	39	-1.0	-40.24	323.39	6.10	-34.14
COC1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020148001	0	38	-1.0	-40.12	323.94	2.47	-37.65
COC1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020148001	1	38	-1.0	-40.18	323.99	2.49	-37.69
O=C(C1=CC=C(Br)C2=CC=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148002	0	38	-1.0	-51.34	329.25	5.58	-45.76
O=C(C1=CC=C(Br)C2=CC=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148002	1	38	-1.0	-51.37	329.19	5.55	-45.82
CSC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020148003	0	40	-1.0	-48.96	350.18	6.93	-42.03
CSC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020148003	1	40	-1.0	-49.01	350.24	6.96	-42.05
CC1=CC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020148004	0	41	-1.0	-42.42	332.57	5.37	-37.05
CC1=CC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020148004	1	41	-1.0	-42.40	332.63	5.40	-37.00
COC1=C(F)C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1F	REAL300020148005	0	37	-1.0	-50.07	316.22	3.99	-46.08
COC1=C(F)C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1F	REAL300020148005	1	37	-1.0	-50.07	316.27	4.01	-46.06
O=C(C1=CC(=O)N(CC(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148006	0	39	-1.0	-51.01	338.03	4.65	-46.36
O=C(C1=CC(=O)N(CC(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148006	1	39	-1.0	-50.97	338.09	4.67	-46.30
O=C(C1=CN=CC(C2=COC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148007	0	39	-1.0	-39.75	324.01	4.27	-35.48
O=C(C1=CN=CC(C2=COC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148007	1	39	-1.0	-39.73	323.95	4.24	-35.49
C[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020148008	0	46	-1.0	-46.19	375.53	6.48	-39.71
C[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020148008	1	46	-1.0	-46.21	375.58	6.50	-39.71
CC1(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCS1(=O)=O	REAL300020148009	0	42	-1.0	-51.26	323.41	1.27	-49.99
CC1(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCS1(=O)=O	REAL300020148009	1	42	-1.0	-51.24	323.47	1.29	-49.95
COC1=CC(F)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020148010	0	39	-1.0	-42.80	318.58	1.98	-40.82
COC1=CC(F)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020148010	1	39	-1.0	-42.84	318.64	2.01	-40.83
O=C([C@H]1C[C@H](N2C=CN=N2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148011	0	39	-1.0	-56.53	313.26	3.15	-53.38
O=C([C@H]1C[C@H](N2C=CN=N2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148011	1	39	-1.0	-56.52	313.20	3.12	-53.40
CCCC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148012	0	45	-1.0	-47.28	359.05	7.66	-39.62
CCCC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148012	1	45	-1.0	-47.29	359.11	7.68	-39.61
CC(C)N1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020148013	0	42	-1.0	-52.08	335.52	4.93	-47.15
CC(C)N1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020148013	1	42	-1.0	-52.06	335.57	4.96	-47.10
O=C(CCCCN1C(=O)CCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148014	0	45	-1.0	-54.69	364.40	4.48	-50.21
O=C(CCCCN1C(=O)CCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148014	1	45	-1.0	-54.70	364.46	4.50	-50.20
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C1=CC=C(F)C=C1	REAL300020148015	0	45	-1.0	-36.04	353.53	7.06	-28.98
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C1=CC=C(F)C=C1	REAL300020148015	1	45	-1.0	-36.04	353.59	7.08	-28.96
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)COC1	REAL300020148016	0	51	-1.0	-41.24	390.15	1.02	-40.22
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)COC1	REAL300020148016	1	51	-1.0	-41.20	390.20	1.05	-40.15
O=C(C1COC2=C(Br)C=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148017	0	41	-1.0	-45.16	345.27	5.83	-39.33
O=C(C1COC2=C(Br)C=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148017	1	41	-1.0	-45.17	345.33	5.86	-39.31
C=CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020148018	0	44	-1.0	-45.03	323.54	3.91	-41.12
C=CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020148018	1	44	-1.0	-45.01	323.59	3.94	-41.07
CN1C=CC(N2C=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020148019	0	40	-1.0	-48.78	334.32	6.59	-42.19
CN1C=CC(N2C=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020148019	1	40	-1.0	-48.78	334.27	6.57	-42.21
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148020	0	40	-1.0	-36.73	323.89	6.29	-30.44
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148020	1	40	-1.0	-36.78	323.95	6.31	-30.47
CCCCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020148021	0	41	-1.0	-45.62	340.83	5.28	-40.34
CCCCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020148021	1	41	-1.0	-45.66	340.89	5.31	-40.35
O=C(CF)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148022	0	38	-1.0	-53.20	319.32	5.07	-48.13
O=C(CF)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148022	1	38	-1.0	-53.19	319.38	5.10	-48.09
CN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C#N)C=C1F	REAL300020148023	0	42	-1.0	-51.12	351.53	4.90	-46.22
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C#N)C=C1F	REAL300020148023	1	42	-1.0	-51.07	351.59	4.93	-46.14
CC1(C)CCC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148024	0	48	-1.0	-46.27	332.69	5.63	-40.64
CC1(C)CCC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148024	1	48	-1.0	-46.29	332.74	5.66	-40.63
CCC1=NC2=CC=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148025	0	44	-1.0	-45.86	351.80	6.18	-39.68
CCC1=NC2=CC=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148025	1	44	-1.0	-45.88	351.86	6.20	-39.68
CCCN1C(=O)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1C1=CC=CC=C1	REAL300020148026	0	53	-1.0	-50.35	412.48	7.75	-42.60
CCCN1C(=O)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1C1=CC=CC=C1	REAL300020148026	1	53	-1.0	-50.33	412.54	7.77	-42.56
COC1=CC=C(F)C=C1CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148027	0	47	-1.0	-50.61	375.31	6.47	-44.14
COC1=CC=C(F)C=C1CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148027	1	47	-1.0	-50.67	375.36	6.49	-44.18
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1C(F)(F)F	REAL300020148028	0	34	-1.0	-37.51	295.50	4.22	-33.29
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1C(F)(F)F	REAL300020148028	1	34	-1.0	-37.50	295.56	4.25	-33.25
O=C(C1=C(Cl)C=CC2=C1OCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148029	0	36	-1.0	-48.54	316.50	3.70	-44.84
O=C(C1=C(Cl)C=CC2=C1OCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148029	1	36	-1.0	-48.49	316.56	3.73	-44.76
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC(F)(F)CC1CCCC2	REAL300020148030	0	46	-1.0	-48.96	331.83	5.84	-43.12
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(F)(F)CC1CCCC2	REAL300020148030	1	46	-1.0	-48.95	331.89	5.87	-43.08
CC1=CC=CC(C2=NOC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020148031	0	42	-1.0	-42.58	347.41	6.32	-36.26
CC1=CC=CC(C2=NOC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020148031	1	42	-1.0	-42.61	347.35	6.29	-36.32
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148032	0	39	-1.0	-40.42	342.68	6.16	-34.26
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148032	1	39	-1.0	-40.38	342.63	6.14	-34.24
O=C(C1=CC(C2=CC=CC=C2Cl)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148033	0	39	-1.0	-44.93	338.35	6.33	-38.60
O=C(C1=CC(C2=CC=CC=C2Cl)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148033	1	39	-1.0	-44.94	338.29	6.31	-38.63
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020148034	0	53	-1.0	-46.75	399.24	3.66	-43.09
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020148034	1	53	-1.0	-46.79	399.30	3.68	-43.11
CN1N=NC=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148035	0	35	-1.0	-40.89	294.03	1.43	-39.46
CN1N=NC=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148035	1	35	-1.0	-40.90	293.97	1.41	-39.49
COC(=O)[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020148036	0	52	-1.0	-53.96	414.42	3.79	-50.17
COC(=O)[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020148036	1	52	-1.0	-53.94	414.48	3.81	-50.13
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC3CC(CC(O)(C3)C1)C2	REAL300020148037	0	48	-1.0	-50.96	336.15	2.75	-48.21
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC3CC(CC(O)(C3)C1)C2	REAL300020148037	1	48	-1.0	-50.96	336.21	2.77	-48.19
CC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1C(=O)OC(C)(C)C	REAL300020148038	0	50	-1.0	-59.39	384.57	5.48	-53.91
CC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1C(=O)OC(C)(C)C	REAL300020148038	1	50	-1.0	-59.41	384.63	5.50	-53.91
O=C(C1=CC2=NNC(=O)N2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148039	0	36	-1.0	-45.58	306.52	2.88	-42.70
O=C(C1=CC2=NNC(=O)N2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148039	1	36	-1.0	-45.59	306.58	2.91	-42.68
CN1C=CC(C2=NNC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020148040	0	40	-1.0	-47.44	333.74	2.45	-44.99
CN1C=CC(C2=NNC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020148040	1	40	-1.0	-47.46	333.79	2.48	-44.98
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC=C(C(F)(F)F)C=C21	REAL300020148041	0	43	-1.0	-42.71	364.20	5.97	-36.74
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC=C(C(F)(F)F)C=C21	REAL300020148041	1	43	-1.0	-42.72	364.26	6.00	-36.72
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=C(C)C=CC=C12	REAL300020148042	0	43	-1.0	-44.12	348.19	5.69	-38.43
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=C(C)C=CC=C12	REAL300020148042	1	43	-1.0	-44.11	348.25	5.72	-38.39
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(C2=CC=CC=C2)N1	REAL300020148043	0	44	-1.0	-46.87	353.68	6.52	-40.35
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(C2=CC=CC=C2)N1	REAL300020148043	1	44	-1.0	-46.85	353.73	6.54	-40.31
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(C2=CC=CC=C2)N1	REAL300020148044	0	47	-1.0	-47.07	375.31	7.26	-39.81
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(C2=CC=CC=C2)N1	REAL300020148044	1	47	-1.0	-47.04	375.37	7.28	-39.76
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCOC1CCOC2	REAL300020148045	0	42	-1.0	-50.98	306.23	1.33	-49.65
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCOC1CCOC2	REAL300020148045	1	42	-1.0	-51.01	306.29	1.35	-49.66
CC(=O)CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020148046	0	44	-1.0	-57.63	324.46	5.82	-51.81
CC(=O)CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020148046	1	44	-1.0	-57.62	324.52	5.84	-51.78
O=C(C(C1CC1)C1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148047	0	44	-1.0	-49.15	331.67	5.68	-43.47
O=C(C(C1CC1)C1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148047	1	44	-1.0	-49.13	331.72	5.71	-43.42
CCC1=CN2C(=N1)C=CC=C2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148048	0	42	-1.0	-47.36	343.68	6.25	-41.11
CCC1=CN2C(=N1)C=CC=C2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148048	1	42	-1.0	-47.34	343.73	6.27	-41.07
N#CC1CCCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148049	0	43	-1.0	-48.01	334.66	6.01	-42.00
N#CC1CCCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148049	1	43	-1.0	-48.02	334.72	6.04	-41.98
CCOC(=O)C12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)OC2	REAL300020148050	0	44	-1.0	-45.36	353.23	3.79	-41.57
CCOC(=O)C12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)OC2	REAL300020148050	1	44	-1.0	-45.37	353.28	3.81	-41.56
CC1(C)CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C)(C)O1	REAL300020148051	0	52	-1.0	-46.45	380.50	6.00	-40.45
CC1(C)CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C)(C)O1	REAL300020148051	1	52	-1.0	-46.49	380.56	6.02	-40.47
O=C(CC1CCN2C=NC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148052	0	43	-1.0	-54.47	333.27	6.35	-48.12
O=C(CC1CCN2C=NC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148052	1	43	-1.0	-54.49	333.33	6.38	-48.11
O=C(CCCCCN1C=NN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148053	0	43	-1.0	-59.98	350.15	4.98	-55.00
O=C(CCCCCN1C=NN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148053	1	43	-1.0	-59.97	350.10	4.96	-55.01
O=C(CCC1=NC=C(F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148054	0	37	-1.0	-46.27	312.48	3.51	-42.76
O=C(CCC1=NC=C(F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148054	1	37	-1.0	-46.25	312.53	3.53	-42.72
N#CC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020148055	0	40	-1.0	-47.83	354.03	7.09	-40.74
N#CC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020148055	1	40	-1.0	-47.83	354.09	7.11	-40.72
O=C(C1=CC=C2NC(=O)NCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148056	0	40	-1.0	-41.08	324.21	1.51	-39.57
O=C(C1=CC=C2NC(=O)NCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148056	1	40	-1.0	-41.10	324.27	1.53	-39.57
O=C(C(CC(F)(F)F)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148057	0	42	-1.0	-43.87	345.76	6.72	-37.15
O=C(C(CC(F)(F)F)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148057	1	42	-1.0	-43.90	345.82	6.74	-37.16
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC(F)=CC=C21	REAL300020148058	0	39	-1.0	-43.19	324.94	5.06	-38.13
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC(F)=CC=C21	REAL300020148058	1	39	-1.0	-43.23	324.88	5.03	-38.20
O=C(C1=COC2=C1CS(=O)(=O)C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148059	0	37	-1.0	-54.93	317.22	0.47	-54.46
O=C(C1=COC2=C1CS(=O)(=O)C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148059	1	37	-1.0	-54.94	317.27	0.50	-54.44
O=C(C1=CC=C(C2CCOC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148060	0	44	-1.0	-46.17	345.23	5.04	-41.13
O=C(C1=CC=C(C2CCOC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148060	1	44	-1.0	-46.16	345.29	5.07	-41.09
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CSC=C1Br	REAL300020148061	0	33	-1.0	-42.04	307.00	5.11	-36.93
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CSC=C1Br	REAL300020148061	1	33	-1.0	-42.03	307.06	5.14	-36.89
CN1C=C(C2=NOC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020148062	0	39	-1.0	-42.66	330.69	3.51	-39.15
CN1C=C(C2=NOC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020148062	1	39	-1.0	-42.63	330.63	3.48	-39.15
O=C(C1=CN=CC2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148063	0	42	-1.0	-44.72	324.33	5.00	-39.72
O=C(C1=CN=CC2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148063	1	42	-1.0	-44.71	324.39	5.03	-39.68
CC1=CC=CN2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C12	REAL300020148064	0	39	-1.0	-49.12	314.98	4.88	-44.24
CC1=CC=CN2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C12	REAL300020148064	1	39	-1.0	-49.15	314.93	4.85	-44.30
C=CCNC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148065	0	44	-1.0	-49.90	361.24	4.13	-45.77
C=CCNC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148065	1	44	-1.0	-49.90	361.29	4.15	-45.75
O=C(C1=CN=CC(C2=CC=CC=C2F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148066	0	42	-1.0	-39.59	350.49	6.33	-33.26
O=C(C1=CN=CC(C2=CC=CC=C2F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148066	1	42	-1.0	-39.58	350.43	6.30	-33.28
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC(C)=CC=C21	REAL300020148067	0	43	-1.0	-43.85	346.98	5.63	-38.22
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC(C)=CC=C21	REAL300020148067	1	43	-1.0	-43.84	347.04	5.66	-38.18
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300020148068	0	42	-1.0	-46.24	348.94	6.12	-40.12
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300020148068	1	42	-1.0	-46.24	348.99	6.14	-40.10
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC(Cl)=CC=C21	REAL300020148069	0	40	-1.0	-43.12	338.23	5.98	-37.14
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC(Cl)=CC=C21	REAL300020148069	1	40	-1.0	-43.14	338.29	6.00	-37.14
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC(F)=CC=C21	REAL300020148070	0	40	-1.0	-43.14	332.02	5.03	-38.11
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC(F)=CC=C21	REAL300020148070	1	40	-1.0	-43.19	332.07	5.06	-38.13
CC1=C2N=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CN2N=C1	REAL300020148071	0	38	-1.0	-43.54	314.68	4.84	-38.70
CC1=C2N=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CN2N=C1	REAL300020148071	1	38	-1.0	-43.51	314.62	4.81	-38.70
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC12CCC2	REAL300020148072	0	57	-1.0	-45.87	431.41	5.08	-40.79
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC12CCC2	REAL300020148072	1	57	-1.0	-45.91	431.47	5.10	-40.81
O=C(C1=CC(Br)=CC(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148073	0	33	-1.0	-45.42	305.34	5.22	-40.20
O=C(C1=CC(Br)=CC(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148073	1	33	-1.0	-45.44	305.40	5.24	-40.20
C[C@@H]1CCC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1C(=O)OC(C)(C)C	REAL300020148074	0	56	-1.0	-56.17	406.74	6.77	-49.40
C[C@@H]1CCC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1C(=O)OC(C)(C)C	REAL300020148074	1	56	-1.0	-56.17	406.80	6.80	-49.37
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148075	0	57	-1.0	-56.80	419.69	6.83	-49.97
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148075	1	57	-1.0	-56.72	419.75	6.85	-49.87
O=C(C1=CC=CC(F)=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148076	0	36	-1.0	-52.34	308.71	5.34	-47.00
O=C(C1=CC=CC(F)=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148076	1	36	-1.0	-52.35	308.77	5.37	-46.98
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148077	0	57	-1.0	-47.22	418.49	6.29	-40.93
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148077	1	57	-1.0	-47.19	418.55	6.30	-40.89
O=C(C1=C2SN=CC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148078	0	35	-1.0	-42.53	302.97	4.64	-37.89
O=C(C1=C2SN=CC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148078	1	35	-1.0	-42.51	302.91	4.62	-37.89
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCO1	REAL300020148079	0	57	-1.0	-45.37	424.30	3.15	-42.22
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCO1	REAL300020148079	1	57	-1.0	-45.38	424.36	3.18	-42.20
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020148080	0	57	-1.0	-46.65	423.30	6.17	-40.48
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020148080	1	57	-1.0	-46.66	423.36	6.19	-40.47
CCC(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020148081	0	55	-1.0	-46.13	416.29	4.64	-41.49
CCC(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020148081	1	55	-1.0	-46.20	416.35	4.67	-41.53
O=C(C1=CC=C(C(F)F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148082	0	35	-1.0	-40.82	296.78	4.39	-36.43
O=C(C1=CC=C(C(F)F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148082	1	35	-1.0	-40.85	296.72	4.36	-36.49
O=C(C1=C2SC=CC2=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148083	0	36	-1.0	-46.72	313.93	5.86	-40.86
O=C(C1=C2SC=CC2=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148083	1	36	-1.0	-46.74	313.99	5.89	-40.85
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C1=CC=CC=C1	REAL300020148084	0	46	-1.0	-48.15	365.88	8.48	-39.67
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C1=CC=CC=C1	REAL300020148084	1	46	-1.0	-48.13	365.94	8.51	-39.62
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148085	0	53	-1.0	-51.64	411.46	4.48	-47.16
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148085	1	53	-1.0	-51.62	411.51	4.50	-47.12
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)F)CCCO1	REAL300020148086	0	37	-1.0	-37.09	294.69	2.84	-34.25
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)F)CCCO1	REAL300020148086	1	37	-1.0	-37.11	294.75	2.87	-34.24
CC1=C(F)C=CC(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148087	0	36	-1.0	-44.07	319.09	5.69	-38.38
CC1=C(F)C=CC(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148087	1	36	-1.0	-44.04	319.14	5.72	-38.32
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148088	0	46	-1.0	-45.91	363.44	8.43	-37.48
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148088	1	46	-1.0	-45.90	363.50	8.46	-37.44
O=C(C1=COC2=C(Br)C=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148089	0	36	-1.0	-40.07	320.57	5.57	-34.50
O=C(C1=COC2=C(Br)C=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148089	1	36	-1.0	-40.07	320.63	5.60	-34.47
COC1=CC(OC)=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148090	0	41	-1.0	-48.84	344.59	3.59	-45.25
COC1=CC(OC)=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148090	1	41	-1.0	-48.86	344.65	3.62	-45.24
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148091	0	52	-1.0	-55.03	386.24	6.25	-48.78
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148091	1	52	-1.0	-54.99	386.29	6.28	-48.71
CC(C)(C)N1CCCC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1(=O)=O	REAL300020148092	0	53	-1.0	-40.77	378.32	3.39	-37.38
CC(C)(C)N1CCCC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1(=O)=O	REAL300020148092	1	53	-1.0	-40.79	378.38	3.42	-37.37
O=C(C1CCC1C1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148093	0	43	-1.0	-46.25	369.31	8.12	-38.13
O=C(C1CCC1C1=CC=C(Cl)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148093	1	43	-1.0	-46.23	369.37	8.14	-38.09
O=C(C1CCCC2=C1N=CS2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148094	0	39	-1.0	-47.77	318.99	4.23	-43.54
O=C(C1CCCC2=C1N=CS2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148094	1	39	-1.0	-47.75	319.05	4.26	-43.49
O=C(C1C2C=CC(C2)C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148095	0	48	-1.0	-50.19	343.97	7.78	-42.41
O=C(C1C2C=CC(C2)C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148095	1	48	-1.0	-50.19	344.03	7.80	-42.39
CC1(C)CCC(F)(F)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148096	0	45	-1.0	-44.93	326.41	5.59	-39.34
CC1(C)CCC(F)(F)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148096	1	45	-1.0	-44.92	326.46	5.62	-39.30
CC1=C(C#N)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020148097	0	37	-1.0	-52.73	325.93	5.32	-47.41
CC1=C(C#N)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020148097	1	37	-1.0	-52.68	325.99	5.35	-47.33
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020148098	0	38	-1.0	-57.93	316.23	6.58	-51.35
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020148098	1	38	-1.0	-57.93	316.29	6.61	-51.32
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148099	0	45	-1.0	-42.56	367.30	7.97	-34.59
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148099	1	45	-1.0	-42.54	367.24	7.95	-34.59
O=C(C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148100	0	43	-1.0	-48.31	358.44	7.24	-41.07
O=C(C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148100	1	43	-1.0	-48.29	358.50	7.26	-41.03
O=C(C1=CN=C(C(F)(F)F)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148101	0	32	-1.0	-35.45	296.36	2.77	-32.68
O=C(C1=CN=C(C(F)(F)F)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148101	1	32	-1.0	-35.42	296.31	2.75	-32.67
O=C([C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148102	0	47	-1.0	-51.71	364.06	5.95	-45.76
O=C([C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148102	1	47	-1.0	-51.72	364.11	5.98	-45.74
COC1=CC=C2NN=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020148103	0	40	-1.0	-44.62	325.23	2.96	-41.66
COC1=CC=C2NN=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020148103	1	40	-1.0	-44.61	325.29	2.98	-41.63
COC1=CC=C2NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020148104	0	44	-1.0	-46.10	350.39	4.73	-41.37
COC1=CC=C2NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020148104	1	44	-1.0	-46.07	350.45	4.75	-41.32
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CSC=C1Br	REAL300020148105	0	32	-1.0	-43.25	305.58	4.03	-39.22
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CSC=C1Br	REAL300020148105	1	32	-1.0	-43.27	305.64	4.06	-39.21
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148106	0	42	-1.0	-45.15	345.45	6.81	-38.34
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148106	1	42	-1.0	-45.16	345.50	6.84	-38.32
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148107	0	43	-1.0	-41.39	348.06	4.11	-37.28
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148107	1	43	-1.0	-41.32	348.12	4.14	-37.18
O=C(C1=CSC(Br)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148108	0	30	-1.0	-46.76	297.92	4.66	-42.10
O=C(C1=CSC(Br)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148108	1	30	-1.0	-46.79	297.98	4.68	-42.11
CC1CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1C	REAL300020148109	0	48	-1.0	-46.24	345.51	6.59	-39.65
CC1CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1C	REAL300020148109	1	48	-1.0	-46.22	345.57	6.61	-39.61
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC3CC(C1)C(=O)C(C3)C2	REAL300020148110	0	46	-1.0	-43.06	329.20	5.22	-37.84
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC3CC(C1)C(=O)C(C3)C2	REAL300020148110	1	46	-1.0	-43.09	329.25	5.25	-37.84
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CC2CCC1C2	REAL300020148111	0	43	-1.0	-43.71	313.32	5.35	-38.36
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CC2CCC1C2	REAL300020148111	1	43	-1.0	-43.72	313.38	5.37	-38.35
O=C(C1=CC=CC=C1CC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148112	0	39	-1.0	-47.17	323.43	6.01	-41.16
O=C(C1=CC=CC=C1CC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148112	1	39	-1.0	-47.17	323.48	6.04	-41.13
O=C(C1=NC=CC2=NC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148113	0	37	-1.0	-46.31	309.58	2.97	-43.34
O=C(C1=NC=CC2=NC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148113	1	37	-1.0	-46.30	309.52	2.94	-43.36
CCN(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020148114	0	52	-1.0	-49.05	402.92	5.86	-43.19
CCN(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020148114	1	52	-1.0	-49.04	402.98	5.88	-43.16
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC2CC21	REAL300020148115	0	57	-1.0	-52.49	411.58	5.77	-46.72
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC2CC21	REAL300020148115	1	57	-1.0	-52.49	411.63	5.79	-46.70
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)CCN1C=CN=N1	REAL300020148116	0	38	-1.0	-47.86	320.37	3.01	-44.85
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)CCN1C=CN=N1	REAL300020148116	1	38	-1.0	-47.87	320.31	2.98	-44.89
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148117	0	39	-1.0	-40.33	322.46	5.83	-34.50
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148117	1	39	-1.0	-40.31	322.51	5.86	-34.45
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)CCN1C=CC=N1	REAL300020148118	0	39	-1.0	-44.52	326.55	4.23	-40.29
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)CCN1C=CC=N1	REAL300020148118	1	39	-1.0	-44.47	326.50	4.20	-40.27
O=C(CC1CCS(=O)(=O)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148119	0	42	-1.0	-54.16	333.12	1.73	-52.43
O=C(CC1CCS(=O)(=O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148119	1	42	-1.0	-54.18	333.18	1.76	-52.42
O=C(C1=CN(CC(F)F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148120	0	36	-1.0	-50.07	306.74	3.31	-46.76
O=C(C1=CN(CC(F)F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148120	1	36	-1.0	-50.07	306.68	3.29	-46.78
CC1=NN=NN1C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020148121	0	44	-1.0	-55.66	351.85	4.80	-50.86
CC1=NN=NN1C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020148121	1	44	-1.0	-55.67	351.91	4.82	-50.85
O=C(C1CCCN1C1=CN=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148122	0	43	-1.0	-41.35	340.35	2.99	-38.36
O=C(C1CCCN1C1=CN=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148122	1	43	-1.0	-41.37	340.29	2.96	-38.41
CC1=CC=C(C=CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148123	0	43	-1.0	-48.75	347.11	7.43	-41.32
CC1=CC=C(C=CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148123	1	43	-1.0	-48.71	347.17	7.45	-41.26
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148124	0	38	-1.0	-51.14	323.63	0.18	-50.96
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148124	1	38	-1.0	-51.09	323.68	0.21	-50.88
O=C(C1CCCN2C=NN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148125	0	39	-1.0	-51.64	302.18	5.47	-46.17
O=C(C1CCCN2C=NN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148125	1	39	-1.0	-51.62	302.24	5.50	-46.12
CCOC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300020148126	0	49	-1.0	-43.10	377.12	6.68	-36.42
CCOC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300020148126	1	49	-1.0	-43.11	377.18	6.70	-36.41
COC1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020148127	0	37	-1.0	-39.28	325.87	4.46	-34.82
COC1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020148127	1	37	-1.0	-39.28	325.92	4.49	-34.79
CC(C)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1F	REAL300020148128	0	42	-1.0	-51.80	333.04	6.34	-45.46
CC(C)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1F	REAL300020148128	1	42	-1.0	-51.83	333.09	6.36	-45.47
CC(C)C1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148129	0	42	-1.0	-49.20	334.39	6.37	-42.83
CC(C)C1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148129	1	42	-1.0	-49.16	334.45	6.39	-42.77
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148130	0	39	-1.0	-51.08	322.97	6.77	-44.31
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148130	1	39	-1.0	-51.08	323.02	6.79	-44.29
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020148131	0	47	-1.0	-55.96	370.95	8.24	-47.72
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020148131	1	47	-1.0	-55.94	371.00	8.26	-47.68
O=C(C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148132	0	49	-1.0	-44.11	401.64	9.69	-34.42
O=C(C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148132	1	49	-1.0	-44.10	401.69	9.71	-34.39
O=C(C(CC1=CC=CC=C1)C1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148133	0	55	-1.0	-44.83	398.31	9.11	-35.72
O=C(C(CC1=CC=CC=C1)C1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148133	1	55	-1.0	-44.82	398.37	9.13	-35.69
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC2=CC=CC=C21	REAL300020148134	0	49	-1.0	-48.40	352.12	7.21	-41.19
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC2=CC=CC=C21	REAL300020148134	1	49	-1.0	-48.39	352.18	7.24	-41.15
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148135	0	39	-1.0	-45.97	330.20	6.12	-39.85
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148135	1	39	-1.0	-46.03	330.25	6.15	-39.88
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020148136	0	46	-1.0	-45.06	375.51	6.49	-38.57
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020148136	1	46	-1.0	-45.04	375.57	6.51	-38.53
COC(=O)C1=CSC2=C1NC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020148137	0	40	-1.0	-46.71	347.06	4.59	-42.12
COC(=O)C1=CSC2=C1NC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020148137	1	40	-1.0	-46.72	347.12	4.62	-42.10
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2)S1	REAL300020148138	0	40	-1.0	-44.95	347.34	4.75	-40.20
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2)S1	REAL300020148138	1	40	-1.0	-44.92	347.40	4.77	-40.15
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CN=CC=N1	REAL300020148139	0	34	-1.0	-41.92	290.31	2.50	-39.42
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CN=CC=N1	REAL300020148139	1	34	-1.0	-41.90	290.25	2.47	-39.43
COC1=CC=C(C#CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148140	0	39	-1.0	-45.15	331.92	5.43	-39.72
COC1=CC=C(C#CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148140	1	39	-1.0	-45.14	331.98	5.45	-39.69
O=C(C1=CON=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148141	0	39	-1.0	-47.46	322.85	5.65	-41.81
O=C(C1=CON=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148141	1	39	-1.0	-47.44	322.79	5.63	-41.81
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148142	0	56	-1.0	-39.86	420.21	4.62	-35.24
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148142	1	56	-1.0	-39.86	420.26	4.65	-35.21
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148143	0	49	-1.0	-41.29	387.79	3.00	-38.29
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148143	1	49	-1.0	-41.28	387.85	3.02	-38.26
O=C(C1CCC2=C(C1)C(C(F)(F)F)=NN2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148144	0	43	-1.0	-52.21	354.48	4.36	-47.85
O=C(C1CCC2=C(C1)C(C(F)(F)F)=NN2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148144	1	43	-1.0	-52.26	354.54	4.38	-47.88
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148145	0	47	-1.0	-48.50	365.26	7.96	-40.54
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148145	1	47	-1.0	-48.49	365.32	7.99	-40.50
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148146	0	47	-1.0	-47.99	366.51	8.02	-39.97
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148146	1	47	-1.0	-47.96	366.56	8.04	-39.92
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148147	0	47	-1.0	-52.04	386.46	6.20	-45.84
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148147	1	47	-1.0	-52.03	386.52	6.22	-45.81
O=C(C1=CC(C2=CC=C3OCCOC3=C2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148148	0	46	-1.0	-42.57	372.97	3.99	-38.58
O=C(C1=CC(C2=CC=C3OCCOC3=C2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148148	1	46	-1.0	-42.55	373.03	4.02	-38.53
O=C(CC(C1=CC=CC(F)=C1)C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148149	0	42	-1.0	-47.02	345.05	6.85	-40.17
O=C(CC(C1=CC=CC(F)=C1)C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148149	1	42	-1.0	-47.02	345.11	6.88	-40.14
CN1C(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1C1CC1	REAL300020148150	0	43	-1.0	-57.81	354.65	5.12	-52.69
CN1C(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1C1CC1	REAL300020148150	1	43	-1.0	-57.84	354.71	5.15	-52.69
CCN1C(C)=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020148151	0	42	-1.0	-58.19	344.59	4.59	-53.60
CCN1C(C)=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020148151	1	42	-1.0	-58.16	344.64	4.61	-53.55
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148152	0	47	-1.0	-47.64	377.19	8.70	-38.94
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148152	1	47	-1.0	-47.66	377.25	8.72	-38.94
CC1=CC(Cl)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020148153	0	36	-1.0	-44.33	324.89	6.08	-38.25
CC1=CC(Cl)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020148153	1	36	-1.0	-44.34	324.95	6.11	-38.23
NS(=O)(=O)C1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148154	0	35	-1.0	-43.58	315.73	-1.68	-45.26
NS(=O)(=O)C1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148154	1	35	-1.0	-43.60	315.78	-1.65	-45.25
CC(C)(C)C1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020148155	0	41	-1.0	-40.39	329.59	1.86	-38.53
CC(C)(C)C1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020148155	1	41	-1.0	-40.43	329.53	1.84	-38.59
O=C(C1=CN=C2C(=C1)C=CNC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148156	0	38	-1.0	-55.98	316.74	1.87	-54.11
O=C(C1=CN=C2C(=C1)C=CNC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148156	1	38	-1.0	-55.97	316.80	1.90	-54.07
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(F)=C1	REAL300020148157	0	42	-1.0	-50.42	324.95	6.01	-44.41
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(F)=C1	REAL300020148157	1	42	-1.0	-50.43	325.01	6.04	-44.39
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148158	0	46	-1.0	-48.03	358.19	6.80	-41.23
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148158	1	46	-1.0	-48.05	358.25	6.82	-41.23
COC1=CC=CC=C1N1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148159	0	44	-1.0	-49.50	352.36	5.03	-44.47
COC1=CC=CC=C1N1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148159	1	44	-1.0	-49.48	352.30	5.00	-44.48
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2F)=NO1	REAL300020148160	0	42	-1.0	-45.35	352.72	6.48	-38.87
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2F)=NO1	REAL300020148160	1	42	-1.0	-45.32	352.66	6.45	-38.87
COCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CCC1	REAL300020148161	0	44	-1.0	-49.93	326.75	3.83	-46.10
COCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CCC1	REAL300020148161	1	44	-1.0	-49.97	326.81	3.86	-46.11
O=C(C1CCOCC12CCCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148162	0	50	-1.0	-47.64	346.05	4.93	-42.71
O=C(C1CCOCC12CCCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148162	1	50	-1.0	-47.67	346.10	4.96	-42.71
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CC2CCC1CC2	REAL300020148163	0	46	-1.0	-43.40	327.65	5.83	-37.57
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CC2CCC1CC2	REAL300020148163	1	46	-1.0	-43.38	327.71	5.86	-37.52
CC(F)(F)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020148164	0	42	-1.0	-50.19	330.46	6.34	-43.85
CC(F)(F)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020148164	1	42	-1.0	-50.14	330.51	6.37	-43.77
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCOC1	REAL300020148165	0	44	-1.0	-48.33	331.83	5.06	-43.27
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCOC1	REAL300020148165	1	44	-1.0	-48.37	331.89	5.08	-43.29
CC1=CC=C(C2CCCCC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148166	0	52	-1.0	-47.00	375.61	8.63	-38.37
CC1=CC=C(C2CCCCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148166	1	52	-1.0	-46.99	375.66	8.65	-38.34
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148167	0	58	-1.0	-47.86	431.86	8.41	-39.45
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148167	1	58	-1.0	-47.93	431.92	8.43	-39.50
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148168	0	47	-1.0	-58.63	381.04	6.44	-52.19
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148168	1	47	-1.0	-58.64	381.10	6.46	-52.18
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148169	0	45	-1.0	-43.85	372.58	7.63	-36.22
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148169	1	45	-1.0	-43.86	372.64	7.65	-36.21
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148170	0	53	-1.0	-45.02	402.95	1.87	-43.15
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148170	1	53	-1.0	-45.04	403.01	1.89	-43.15
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020148171	0	56	-1.0	-47.16	422.36	5.91	-41.25
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020148171	1	56	-1.0	-47.17	422.41	5.94	-41.23
CCC(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020148172	0	45	-1.0	-58.81	357.58	4.15	-54.66
CCC(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020148172	1	45	-1.0	-58.80	357.64	4.18	-54.62
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148173	0	55	-1.0	-49.42	412.85	8.71	-40.71
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148173	1	55	-1.0	-49.40	412.91	8.73	-40.67
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148174	0	43	-1.0	-36.66	355.03	6.95	-29.71
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148174	1	43	-1.0	-36.64	355.08	6.98	-29.66
O=C(C1COC2=CC=C(Br)C=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148175	0	41	-1.0	-43.30	346.34	5.77	-37.53
O=C(C1COC2=CC=C(Br)C=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148175	1	41	-1.0	-43.33	346.40	5.79	-37.54
CC1=CC=C(OC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020148176	0	46	-1.0	-49.96	358.09	7.05	-42.91
CC1=CC=C(OC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020148176	1	46	-1.0	-49.97	358.15	7.08	-42.89
O=C(CN1C(=O)NC2(CCOCC2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148177	0	46	-1.0	-52.91	366.76	1.02	-51.89
O=C(CN1C(=O)NC2(CCOCC2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148177	1	46	-1.0	-52.94	366.82	1.04	-51.90
O=C(C1=CC=CC2=CC(Cl)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148178	0	39	-1.0	-47.86	331.27	7.18	-40.68
O=C(C1=CC=CC2=CC(Cl)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148178	1	39	-1.0	-47.84	331.32	7.20	-40.64
O=C(CC1CCC2=CC(Br)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148179	0	43	-1.0	-48.59	353.22	7.84	-40.75
O=C(CC1CCC2=CC(Br)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148179	1	43	-1.0	-48.62	353.28	7.87	-40.75
O=C(C1=CN=CC(C2=CC=C(F)C=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148180	0	42	-1.0	-45.34	346.22	6.07	-39.27
O=C(C1=CN=CC(C2=CC=C(F)C=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148180	1	42	-1.0	-45.32	346.17	6.05	-39.27
O=C(C1=C(Cl)SC2=C1SN=N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148181	0	31	-1.0	-42.57	306.85	3.11	-39.46
O=C(C1=C(Cl)SC2=C1SN=N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148181	1	31	-1.0	-42.58	306.79	3.09	-39.49
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148182	0	56	-1.0	-55.30	422.75	6.06	-49.24
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148182	1	56	-1.0	-55.30	422.81	6.09	-49.21
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148183	0	56	-1.0	-54.79	422.39	6.06	-48.73
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148183	1	56	-1.0	-54.81	422.45	6.08	-48.73
COC(=O)C1=COC2=C1NC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020148184	0	40	-1.0	-46.83	338.44	3.74	-43.09
COC(=O)C1=COC2=C1NC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020148184	1	40	-1.0	-46.82	338.50	3.76	-43.06
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020148185	0	46	-1.0	-45.57	376.22	6.14	-39.43
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020148185	1	46	-1.0	-45.58	376.27	6.17	-39.41
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C(C2=NNC=N2)S1	REAL300020148186	0	38	-1.0	-48.54	328.09	3.96	-44.58
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C(C2=NNC=N2)S1	REAL300020148186	1	38	-1.0	-48.52	328.15	3.98	-44.54
O=C(C1=CC(CC2=CC=CC=C2)=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148187	0	44	-1.0	-49.69	357.39	7.21	-42.48
O=C(C1=CC(CC2=CC=CC=C2)=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148187	1	44	-1.0	-49.70	357.45	7.24	-42.46
COC(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020148188	0	42	-1.0	-50.58	338.30	5.56	-45.02
COC(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020148188	1	42	-1.0	-50.57	338.36	5.58	-44.99
C=CCCC(CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148189	0	48	-1.0	-46.49	364.63	6.87	-39.62
C=CCCC(CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148189	1	48	-1.0	-46.59	364.69	6.90	-39.69
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCO1	REAL300020148190	0	54	-1.0	-48.36	402.53	2.88	-45.48
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCO1	REAL300020148190	1	54	-1.0	-48.34	402.58	2.91	-45.43
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CC1	REAL300020148191	0	51	-1.0	-53.54	385.01	4.48	-49.06
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CC1	REAL300020148191	1	51	-1.0	-53.56	385.06	4.51	-49.05
O=C(C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148192	0	46	-1.0	-48.44	375.92	7.03	-41.41
O=C(C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148192	1	46	-1.0	-48.48	375.98	7.05	-41.43
CC(C)(C)C1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020148193	0	43	-1.0	-39.64	331.63	4.03	-35.61
CC(C)(C)C1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020148193	1	43	-1.0	-39.66	331.69	4.05	-35.61
O=C(C1=CC=C(C2=CSC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148194	0	40	-1.0	-46.01	335.52	6.86	-39.15
O=C(C1=CC=C(C2=CSC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148194	1	40	-1.0	-46.01	335.58	6.89	-39.12
O=C(C1=CC=C2CCOC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148195	0	40	-1.0	-49.61	325.72	5.36	-44.25
O=C(C1=CC=C2CCOC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148195	1	40	-1.0	-49.67	325.78	5.39	-44.28
CC(C)COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020148196	0	48	-1.0	-48.61	361.32	5.97	-42.64
CC(C)COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020148196	1	48	-1.0	-48.60	361.38	6.00	-42.60
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148197	0	58	-1.0	-47.82	426.27	4.61	-43.21
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148197	1	58	-1.0	-47.89	426.32	4.64	-43.25
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148198	0	39	-1.0	-45.75	332.46	5.24	-40.51
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148198	1	39	-1.0	-45.70	332.51	5.26	-40.44
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CC2=NN1	REAL300020148199	0	38	-1.0	-46.72	312.99	2.83	-43.89
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CC2=NN1	REAL300020148199	1	38	-1.0	-46.75	313.05	2.86	-43.89
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148200	0	36	-1.0	-46.64	312.99	5.86	-40.78
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148200	1	36	-1.0	-46.65	312.94	5.83	-40.82
O=C(CCCCC1CSSC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148201	0	44	-1.0	-50.25	362.37	7.94	-42.31
O=C(CCCCC1CSSC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148201	1	44	-1.0	-50.31	362.42	7.96	-42.35
CNC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148202	0	45	-1.0	-55.58	345.31	2.63	-52.95
CNC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148202	1	45	-1.0	-55.61	345.36	2.65	-52.96
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148203	0	38	-1.0	-43.73	324.36	5.26	-38.47
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148203	1	38	-1.0	-43.70	324.30	5.24	-38.46
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148204	0	59	-1.0	-56.26	409.59	7.36	-48.90
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148204	1	59	-1.0	-56.24	409.65	7.38	-48.86
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300020148205	0	56	-1.0	-44.16	412.71	5.13	-39.03
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020148205	1	56	-1.0	-44.12	412.77	5.15	-38.97
O=C(C(CC1=CC=CC=C1)C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148206	0	49	-1.0	-44.91	391.34	9.23	-35.68
O=C(C(CC1=CC=CC=C1)C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148206	1	49	-1.0	-44.94	391.39	9.26	-35.68
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148207	0	49	-1.0	-48.16	390.16	8.20	-39.96
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148207	1	49	-1.0	-48.14	390.22	8.23	-39.91
O=C(C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148208	0	49	-1.0	-44.42	401.68	9.69	-34.73
O=C(C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148208	1	49	-1.0	-44.43	401.74	9.71	-34.72
CC1=CC2=CC=CN=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148209	0	41	-1.0	-54.98	333.74	5.69	-49.29
CC1=CC2=CC=CN=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148209	1	41	-1.0	-54.92	333.69	5.67	-49.25
O=C(CC1=CC(Br)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148210	0	33	-1.0	-46.55	306.37	5.17	-41.38
O=C(CC1=CC(Br)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148210	1	33	-1.0	-46.55	306.42	5.19	-41.36
CN1C=C(C2=CC=CC=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020148211	0	43	-1.0	-54.39	351.01	5.71	-48.68
CN1C=C(C2=CC=CC=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020148211	1	43	-1.0	-54.34	350.95	5.69	-48.65
O=C(C1=C(C2CCC2)ON=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148212	0	39	-1.0	-42.60	313.38	4.77	-37.83
O=C(C1=C(C2CCC2)ON=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148212	1	39	-1.0	-42.68	313.44	4.80	-37.88
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CN=C2C=C1	REAL300020148213	0	41	-1.0	-46.39	333.43	5.41	-40.98
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CN=C2C=C1	REAL300020148213	1	41	-1.0	-46.40	333.38	5.38	-41.02
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148214	0	44	-1.0	-41.60	371.73	8.73	-32.87
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148214	1	44	-1.0	-41.63	371.78	8.76	-32.87
COC1(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)COC1	REAL300020148215	0	45	-1.0	-50.36	350.94	3.75	-46.61
COC1(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)COC1	REAL300020148215	1	45	-1.0	-50.36	350.99	3.78	-46.58
COCCN1C=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020148216	0	47	-1.0	-50.74	380.44	6.17	-44.57
COCCN1C=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020148216	1	47	-1.0	-50.79	380.50	6.19	-44.60
CC(C)N1C=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020148217	0	46	-1.0	-51.36	364.84	7.60	-43.76
CC(C)N1C=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020148217	1	46	-1.0	-51.37	364.90	7.62	-43.75
C[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020148218	0	39	-1.0	-46.97	313.83	5.84	-41.13
C[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020148218	1	39	-1.0	-46.99	313.89	5.87	-41.12
CCC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300020148219	0	41	-1.0	-46.55	324.69	5.41	-41.14
CCC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020148219	1	41	-1.0	-46.50	324.75	5.44	-41.06
O=C(C1=CC=NN1CC1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148220	0	40	-1.0	-44.70	320.64	4.62	-40.08
O=C(C1=CC=NN1CC1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148220	1	40	-1.0	-44.67	320.59	4.60	-40.07
O=C(C1CCC(F)(F)CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148221	0	37	-1.0	-51.67	296.21	3.75	-47.92
O=C(C1CCC(F)(F)CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148221	1	37	-1.0	-51.68	296.27	3.78	-47.90
O=C(C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148222	0	49	-1.0	-44.52	391.32	9.23	-35.29
O=C(C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148222	1	49	-1.0	-44.53	391.38	9.26	-35.27
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148223	0	39	-1.0	-42.98	337.91	5.71	-37.27
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148223	1	39	-1.0	-42.98	337.85	5.68	-37.30
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148224	0	39	-1.0	-38.28	349.08	6.22	-32.06
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148224	1	39	-1.0	-38.31	349.03	6.19	-32.12
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148225	0	39	-1.0	-37.95	348.22	6.17	-31.78
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148225	1	39	-1.0	-37.93	348.16	6.14	-31.79
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)N2C)C=C1	REAL300020148226	0	52	-1.0	-53.70	415.18	8.60	-45.10
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)N2C)C=C1	REAL300020148226	1	52	-1.0	-53.68	415.23	8.62	-45.06
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC(F)=CC(F)=C21	REAL300020148227	0	40	-1.0	-41.57	336.28	5.04	-36.53
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC(F)=CC(F)=C21	REAL300020148227	1	40	-1.0	-41.59	336.34	5.07	-36.52
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148228	0	52	-1.0	-42.53	412.73	3.90	-38.63
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148228	1	52	-1.0	-42.56	412.79	3.92	-38.64
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148229	0	56	-1.0	-47.35	420.23	4.62	-42.73
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148229	1	56	-1.0	-47.34	420.29	4.65	-42.69
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148230	0	33	-1.0	-49.07	299.21	5.08	-43.99
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148230	1	33	-1.0	-49.05	299.27	5.10	-43.95
COC(=O)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148231	0	42	-1.0	-49.75	347.45	5.89	-43.86
COC(=O)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148231	1	42	-1.0	-49.79	347.50	5.91	-43.88
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148232	0	59	-1.0	-46.02	446.29	3.44	-42.58
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148232	1	59	-1.0	-46.02	446.35	3.47	-42.55
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(F)C(F)=C1F	REAL300020148233	0	35	-1.0	-40.30	300.79	2.68	-37.62
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(F)C(F)=C1F	REAL300020148233	1	35	-1.0	-40.33	300.85	2.70	-37.63
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148234	0	56	-1.0	-58.38	417.41	6.39	-51.99
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148234	1	56	-1.0	-58.37	417.47	6.42	-51.95
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148235	0	50	-1.0	-61.57	376.44	5.00	-56.57
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148235	1	50	-1.0	-61.58	376.50	5.03	-56.55
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148236	0	58	-1.0	-42.29	410.09	5.77	-36.52
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148236	1	58	-1.0	-42.32	410.15	5.79	-36.53
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148237	0	59	-1.0	-39.60	447.40	3.54	-36.06
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148237	1	59	-1.0	-39.62	447.45	3.57	-36.05
O=C(C1=C(Br)C=CN=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148238	0	32	-1.0	-47.37	295.73	3.32	-44.05
O=C(C1=C(Br)C=CN=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148238	1	32	-1.0	-47.36	295.67	3.29	-44.07
NC1=C(F)C=C(F)C(F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148239	0	35	-1.0	-43.15	305.70	2.69	-40.46
NC1=C(F)C=C(F)C(F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148239	1	35	-1.0	-43.17	305.76	2.71	-40.46
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL300020148240	0	49	-1.0	-44.30	394.60	0.81	-43.49
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL300020148240	1	49	-1.0	-44.27	394.66	0.83	-43.44
CN(C)C1=CC=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148241	0	41	-1.0	-47.24	341.88	5.44	-41.80
CN(C)C1=CC=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148241	1	41	-1.0	-47.21	341.94	5.46	-41.75
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148242	0	43	-1.0	-52.74	351.77	2.98	-49.76
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148242	1	43	-1.0	-52.73	351.82	3.01	-49.72
O=C(C1=NN2CC(F)CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148243	0	37	-1.0	-47.48	303.13	3.74	-43.74
O=C(C1=NN2CC(F)CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148243	1	37	-1.0	-47.45	303.19	3.77	-43.68
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020148244	0	49	-1.0	-53.07	380.63	3.87	-49.20
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020148244	1	49	-1.0	-53.08	380.69	3.90	-49.18
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCN(CCC1)S2(=O)=O	REAL300020148245	0	42	-1.0	-56.43	320.15	0.59	-55.84
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCN(CCC1)S2(=O)=O	REAL300020148245	1	42	-1.0	-56.42	320.20	0.61	-55.81
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148246	0	42	-1.0	-54.71	347.01	3.94	-50.77
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148246	1	42	-1.0	-54.68	346.95	3.92	-50.76
CC1=CC=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2(F)F)=C1	REAL300020148247	0	43	-1.0	-43.59	347.19	7.14	-36.45
CC1=CC=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2(F)F)=C1	REAL300020148247	1	43	-1.0	-43.58	347.24	7.16	-36.42
O=C(C1=C(C2CC2)ON=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148248	0	36	-1.0	-42.13	325.48	5.03	-37.10
O=C(C1=C(C2CC2)ON=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148248	1	36	-1.0	-42.17	325.53	5.06	-37.11
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148249	0	34	-1.0	-44.09	302.94	3.60	-40.49
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148249	1	34	-1.0	-44.13	303.00	3.62	-40.51
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N2)O1	REAL300020148250	0	37	-1.0	-46.59	303.15	3.80	-42.79
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N2)O1	REAL300020148250	1	37	-1.0	-46.61	303.20	3.82	-42.79
CC(C)C1=CNC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020148251	0	45	-1.0	-58.56	357.08	5.32	-53.24
CC(C)C1=CNC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020148251	1	45	-1.0	-58.54	357.13	5.34	-53.20
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148252	0	39	-1.0	-49.17	338.37	4.59	-44.58
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148252	1	39	-1.0	-49.13	338.43	4.61	-44.52
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148253	0	35	-1.0	-56.55	313.13	3.89	-52.66
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148253	1	35	-1.0	-56.56	313.19	3.91	-52.65
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148254	0	56	-1.0	-39.57	427.12	2.80	-36.77
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148254	1	56	-1.0	-39.60	427.18	2.82	-36.78
C#CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020148255	0	55	-1.0	-60.26	419.57	5.89	-54.37
C#CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020148255	1	55	-1.0	-60.28	419.63	5.92	-54.36
CCOC1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1N	REAL300020148256	0	42	-1.0	-42.29	354.21	3.42	-38.87
CCOC1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1N	REAL300020148256	1	42	-1.0	-42.33	354.27	3.44	-38.89
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148257	0	40	-1.0	-49.67	340.36	7.26	-42.41
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148257	1	40	-1.0	-49.64	340.41	7.29	-42.35
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148258	0	53	-1.0	-46.31	407.77	2.46	-43.85
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148258	1	53	-1.0	-46.33	407.83	2.48	-43.85
C=CCN(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020148259	0	53	-1.0	-49.06	415.73	6.41	-42.65
C=CCN(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020148259	1	53	-1.0	-49.04	415.79	6.44	-42.60
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148260	0	56	-1.0	-56.15	414.49	5.48	-50.67
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148260	1	56	-1.0	-56.12	414.55	5.51	-50.61
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CC2=CC=CC=C21	REAL300020148261	0	42	-1.0	-46.25	330.74	7.19	-39.06
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC2=CC=CC=C21	REAL300020148261	1	42	-1.0	-46.25	330.80	7.22	-39.03
COC1=CC=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020148262	0	42	-1.0	-46.32	342.46	2.99	-43.33
COC1=CC=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020148262	1	42	-1.0	-46.32	342.52	3.02	-43.30
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=C1CCOC2	REAL300020148263	0	41	-1.0	-44.29	324.26	2.79	-41.50
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=C1CCOC2	REAL300020148263	1	41	-1.0	-44.29	324.31	2.81	-41.48
COC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020148264	0	39	-1.0	-43.17	315.40	1.73	-41.44
COC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020148264	1	39	-1.0	-43.18	315.46	1.75	-41.43
CC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC(=O)CC2)C=C1	REAL300020148265	0	51	-1.0	-46.67	378.40	7.27	-39.40
CC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC(=O)CC2)C=C1	REAL300020148265	1	51	-1.0	-46.72	378.46	7.30	-39.42
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCOCC2)CC1(F)F	REAL300020148266	0	44	-1.0	-53.08	335.87	4.11	-48.97
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCOCC2)CC1(F)F	REAL300020148266	1	44	-1.0	-53.07	335.92	4.13	-48.94
O=C(C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148267	0	38	-1.0	-49.01	339.73	4.73	-44.28
O=C(C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148267	1	38	-1.0	-48.98	339.67	4.71	-44.27
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020148268	0	41	-1.0	-48.70	349.11	3.54	-45.16
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020148268	1	41	-1.0	-48.74	349.06	3.51	-45.23
CN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=C1C=CS2	REAL300020148269	0	37	-1.0	-44.59	309.79	5.04	-39.55
CN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=C1C=CS2	REAL300020148269	1	37	-1.0	-44.58	309.84	5.07	-39.51
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1CC(F)F	REAL300020148270	0	39	-1.0	-46.29	324.07	3.75	-42.54
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1CC(F)F	REAL300020148270	1	39	-1.0	-46.27	324.13	3.78	-42.49
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1CCC1	REAL300020148271	0	43	-1.0	-45.74	341.00	4.90	-40.84
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1CCC1	REAL300020148271	1	43	-1.0	-45.70	341.06	4.93	-40.77
O=C(C1=C2CCCCC2=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148272	0	41	-1.0	-44.94	321.38	4.74	-40.20
O=C(C1=C2CCCCC2=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148272	1	41	-1.0	-44.95	321.44	4.77	-40.18
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CO1	REAL300020148273	0	54	-1.0	-50.63	413.47	2.22	-48.41
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CO1	REAL300020148273	1	54	-1.0	-50.61	413.53	2.24	-48.37
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148274	0	53	-1.0	-46.68	407.18	1.98	-44.70
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148274	1	53	-1.0	-46.69	407.23	2.01	-44.68
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148275	0	56	-1.0	-54.22	421.77	6.18	-48.04
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148275	1	56	-1.0	-54.19	421.82	6.20	-47.99
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020148276	0	51	-1.0	-50.42	396.34	3.13	-47.29
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020148276	1	51	-1.0	-50.39	396.40	3.16	-47.23
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC(C)(C)C1	REAL300020148277	0	59	-1.0	-43.07	435.95	5.94	-37.13
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC(C)(C)C1	REAL300020148277	1	59	-1.0	-43.08	436.00	5.97	-37.11
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148278	0	57	-1.0	-40.00	420.26	2.94	-37.06
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148278	1	57	-1.0	-40.00	420.32	2.97	-37.03
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148279	0	59	-1.0	-39.69	432.25	5.11	-34.58
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148279	1	59	-1.0	-39.68	432.31	5.13	-34.55
CC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1C	REAL300020148280	0	42	-1.0	-52.88	336.30	4.43	-48.45
CC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1C	REAL300020148280	1	42	-1.0	-52.91	336.36	4.46	-48.45
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148281	0	56	-1.0	-51.42	407.32	5.56	-45.86
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148281	1	56	-1.0	-51.39	407.38	5.59	-45.80
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020148282	0	50	-1.0	-41.25	391.24	3.15	-38.10
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020148282	1	50	-1.0	-41.25	391.30	3.18	-38.07
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148283	0	36	-1.0	-51.47	316.58	5.69	-45.78
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148283	1	36	-1.0	-51.47	316.64	5.72	-45.75
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300020148284	0	40	-1.0	-51.25	341.37	6.87	-44.38
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300020148284	1	40	-1.0	-51.30	341.43	6.89	-44.41
CC(=O)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020148285	0	34	-1.0	-52.89	298.63	2.82	-50.07
CC(=O)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020148285	1	34	-1.0	-52.89	298.69	2.84	-50.05
COC1=NN(C)C(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148286	0	37	-1.0	-47.03	330.73	0.85	-46.18
COC1=NN(C)C(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148286	1	37	-1.0	-47.01	330.67	0.82	-46.19
CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020148287	0	40	-1.0	-60.03	328.83	3.32	-56.71
CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020148287	1	40	-1.0	-60.05	328.89	3.34	-56.71
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148288	0	57	-1.0	-49.57	435.97	2.83	-46.74
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148288	1	57	-1.0	-49.55	436.02	2.86	-46.69
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148289	0	36	-1.0	-49.78	316.23	4.64	-45.14
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148289	1	36	-1.0	-49.73	316.29	4.67	-45.06
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020148290	0	46	-1.0	-60.67	381.72	3.96	-56.71
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020148290	1	46	-1.0	-60.70	381.77	3.98	-56.72
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)SC2=C(C)S1	REAL300020148291	0	39	-1.0	-41.65	341.62	6.40	-35.25
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)SC2=C(C)S1	REAL300020148291	1	39	-1.0	-41.67	341.68	6.42	-35.25
O=C(C1CCCC2=NN=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148292	0	39	-1.0	-54.15	307.73	5.20	-48.95
O=C(C1CCCC2=NN=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148292	1	39	-1.0	-54.11	307.79	5.22	-48.89
CC1(C)CCCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020148293	0	46	-1.0	-49.44	343.58	5.52	-43.92
CC1(C)CCCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020148293	1	46	-1.0	-49.45	343.64	5.54	-43.91
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CN=C1	REAL300020148294	0	39	-1.0	-53.09	316.32	3.51	-49.58
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CN=C1	REAL300020148294	1	39	-1.0	-53.09	316.26	3.48	-49.61
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148295	0	57	-1.0	-55.75	421.70	6.31	-49.44
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148295	1	57	-1.0	-55.74	421.75	6.34	-49.40
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148296	0	56	-1.0	-55.10	412.47	4.16	-50.94
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148296	1	56	-1.0	-55.10	412.53	4.19	-50.91
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148297	0	36	-1.0	-47.19	340.25	6.89	-40.30
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148297	1	36	-1.0	-47.17	340.30	6.91	-40.26
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020148298	0	45	-1.0	-56.56	342.16	1.78	-54.78
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020148298	1	45	-1.0	-56.57	342.21	1.81	-54.76
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148299	0	40	-1.0	-51.43	334.34	6.93	-44.50
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148299	1	40	-1.0	-51.44	334.39	6.95	-44.49
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C3=O	REAL300020148300	0	49	-1.0	-62.04	389.64	7.36	-54.68
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C3=O	REAL300020148300	1	49	-1.0	-62.04	389.69	7.39	-54.65
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020148301	0	47	-1.0	-47.89	373.45	6.25	-41.64
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020148301	1	47	-1.0	-47.91	373.51	6.27	-41.64
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148302	0	41	-1.0	-56.71	341.07	5.37	-51.34
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148302	1	41	-1.0	-56.65	341.13	5.40	-51.25
COC1=CC2=NC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020148303	0	42	-1.0	-46.59	338.48	4.10	-42.49
COC1=CC2=NC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020148303	1	42	-1.0	-46.58	338.42	4.08	-42.50
CCSC1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148304	0	46	-1.0	-36.30	358.29	6.79	-29.51
CCSC1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148304	1	46	-1.0	-36.32	358.35	6.81	-29.51
CC1=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=N1	REAL300020148305	0	44	-1.0	-46.72	354.20	5.71	-41.01
CC1=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=N1	REAL300020148305	1	44	-1.0	-46.75	354.26	5.74	-41.01
CC1=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020148306	0	42	-1.0	-39.86	338.09	7.35	-32.51
CC1=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020148306	1	42	-1.0	-39.88	338.15	7.38	-32.50
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148307	0	56	-1.0	-54.82	422.26	6.05	-48.77
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148307	1	56	-1.0	-54.81	422.32	6.08	-48.73
O=C(CCC1=CC=CC(=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148308	0	39	-1.0	-51.36	320.71	3.03	-48.33
O=C(CCC1=CC=CC(=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148308	1	39	-1.0	-51.36	320.76	3.06	-48.30
O=C(C1=CSC(Cl)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148309	0	30	-1.0	-47.09	293.51	4.55	-42.54
O=C(C1=CSC(Cl)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148309	1	30	-1.0	-47.11	293.57	4.58	-42.53
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148310	0	45	-1.0	-52.88	360.90	3.83	-49.05
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148310	1	45	-1.0	-52.84	360.95	3.86	-48.98
CC1=NN(C2CCC2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148311	0	43	-1.0	-47.11	337.31	4.69	-42.42
CC1=NN(C2CCC2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148311	1	43	-1.0	-47.13	337.36	4.71	-42.42
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148312	0	40	-1.0	-40.66	335.66	5.69	-34.97
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148312	1	40	-1.0	-40.62	335.60	5.67	-34.95
O=C(C1=CNC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148313	0	31	-1.0	-52.37	278.09	2.99	-49.38
O=C(C1=CNC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148313	1	31	-1.0	-52.39	278.14	3.02	-49.37
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148314	0	43	-1.0	-58.64	367.91	4.40	-54.24
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148314	1	43	-1.0	-58.62	367.97	4.43	-54.19
CCC1=C(C)SC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148315	0	39	-1.0	-38.21	320.16	5.58	-32.63
CCC1=C(C)SC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148315	1	39	-1.0	-38.18	320.22	5.61	-32.57
O=C(C1CC(OC(F)(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148316	0	37	-1.0	-46.09	312.43	3.23	-42.86
O=C(C1CC(OC(F)(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148316	1	37	-1.0	-46.09	312.48	3.26	-42.83
CS(=O)(=O)C1=COC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148317	0	36	-1.0	-46.17	314.11	0.10	-46.07
CS(=O)(=O)C1=COC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148317	1	36	-1.0	-46.16	314.17	0.12	-46.04
O=C(CC1=CC=C2COCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148318	0	44	-1.0	-49.61	348.38	5.52	-44.09
O=C(CC1=CC=C2COCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148318	1	44	-1.0	-49.61	348.44	5.55	-44.06
O=C(CC1=CC=C2CCOCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148319	0	44	-1.0	-48.55	348.39	5.52	-43.03
O=C(CC1=CC=C2CCOCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148319	1	44	-1.0	-48.62	348.45	5.55	-43.07
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148320	0	42	-1.0	-45.61	345.63	6.16	-39.45
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148320	1	42	-1.0	-45.65	345.58	6.13	-39.52
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020148321	0	35	-1.0	-39.13	304.45	4.56	-34.57
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020148321	1	35	-1.0	-39.14	304.51	4.59	-34.55
COC1=CC(Br)=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148322	0	36	-1.0	-41.47	313.21	4.68	-36.79
COC1=CC(Br)=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148322	1	36	-1.0	-41.46	313.15	4.65	-36.81
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148323	0	42	-1.0	-55.67	353.13	2.06	-53.61
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148323	1	42	-1.0	-55.71	353.19	2.08	-53.63
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148324	0	40	-1.0	-43.28	334.43	5.70	-37.58
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148324	1	40	-1.0	-43.34	334.49	5.73	-37.61
CCC1=CC=C(N2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020148325	0	45	-1.0	-46.71	366.98	6.15	-40.56
CCC1=CC=C(N2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020148325	1	45	-1.0	-46.71	366.92	6.13	-40.58
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148326	0	48	-1.0	-48.17	399.32	3.87	-44.30
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148326	1	48	-1.0	-48.16	399.38	3.90	-44.26
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148327	0	48	-1.0	-53.49	399.97	3.89	-49.60
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148327	1	48	-1.0	-53.49	400.03	3.91	-49.58
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148328	0	38	-2.0	-84.28	334.57	3.07	-81.21
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148328	1	38	-2.0	-84.29	334.63	3.10	-81.19
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148329	0	43	-1.0	-42.56	370.90	6.98	-35.58
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148329	1	43	-1.0	-42.58	370.85	6.96	-35.62
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN(C)C1=O	REAL300020148330	0	39	-1.0	-47.43	319.67	4.07	-43.36
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN(C)C1=O	REAL300020148330	1	39	-1.0	-47.38	319.72	4.09	-43.29
O=C(CC1CCCC(F)(F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148331	0	42	-1.0	-48.06	325.63	5.84	-42.22
O=C(CC1CCCC(F)(F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148331	1	42	-1.0	-48.03	325.68	5.86	-42.17
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148332	0	54	-1.0	-47.99	410.95	9.34	-38.65
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148332	1	54	-1.0	-48.01	411.00	9.36	-38.65
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148333	0	44	-1.0	-45.12	355.70	6.16	-38.96
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148333	1	44	-1.0	-45.16	355.76	6.18	-38.98
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148334	0	41	-1.0	-48.66	343.71	4.51	-44.15
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148334	1	41	-1.0	-48.70	343.77	4.53	-44.17
CC1(C)CCC(=O)C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020148335	0	48	-1.0	-45.51	368.41	6.84	-38.67
CC1(C)CCC(=O)C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020148335	1	48	-1.0	-45.51	368.46	6.87	-38.64
CC1=CC(Cl)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020148336	0	33	-1.0	-37.58	297.20	4.74	-32.84
CC1=CC(Cl)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020148336	1	33	-1.0	-37.54	297.26	4.77	-32.77
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148337	0	35	-1.0	-42.82	322.40	4.65	-38.17
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148337	1	35	-1.0	-42.78	322.34	4.62	-38.16
O=C(C1CCC(=O)N(C2CC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148338	0	44	-1.0	-47.03	340.01	4.27	-42.76
O=C(C1CCC(=O)N(C2CC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148338	1	44	-1.0	-47.03	340.06	4.30	-42.73
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148339	0	49	-1.0	-49.15	378.67	4.27	-44.88
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148339	1	49	-1.0	-49.20	378.73	4.29	-44.91
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148340	0	46	-1.0	-50.95	366.56	5.92	-45.03
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148340	1	46	-1.0	-50.99	366.61	5.95	-45.04
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148341	0	40	-1.0	-47.24	342.79	7.22	-40.02
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148341	1	40	-1.0	-47.25	342.85	7.24	-40.01
N#CC1=CN=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148342	0	33	-1.0	-47.93	299.77	3.36	-44.57
N#CC1=CN=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148342	1	33	-1.0	-47.95	299.71	3.34	-44.61
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148343	0	38	-1.0	-64.80	310.20	3.01	-61.79
O=C(C1=C2C(=CC=C1)CNC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148343	1	38	-1.0	-64.85	310.25	3.03	-61.82
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148344	0	43	-1.0	-47.34	348.42	4.15	-43.19
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148344	1	43	-1.0	-47.36	348.48	4.18	-43.18
CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020148345	0	39	-1.0	-43.35	325.90	6.23	-37.12
CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020148345	1	39	-1.0	-43.34	325.96	6.25	-37.09
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148346	0	47	-1.0	-45.72	372.73	3.41	-42.31
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148346	1	47	-1.0	-45.77	372.67	3.39	-42.38
O=C(C1=CC=C(CC2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148347	0	43	-1.0	-45.47	344.98	7.44	-38.03
O=C(C1=CC=C(CC2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148347	1	43	-1.0	-45.48	345.04	7.47	-38.01
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148348	0	35	-1.0	-38.97	318.92	5.60	-33.37
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148348	1	35	-1.0	-38.98	318.86	5.58	-33.40
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148349	0	36	-1.0	-46.53	318.52	5.38	-41.15
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148349	1	36	-1.0	-46.57	318.58	5.40	-41.17
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148350	0	35	-1.0	-42.08	317.80	4.47	-37.61
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148350	1	35	-1.0	-42.09	317.75	4.45	-37.64
N#CC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020148351	0	40	-1.0	-48.81	342.36	6.65	-42.16
N#CC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020148351	1	40	-1.0	-48.82	342.42	6.68	-42.14
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148352	0	39	-1.0	-49.55	327.45	1.73	-47.82
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148352	1	39	-1.0	-49.58	327.51	1.76	-47.82
O=C(C1=CN=C2CCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148353	0	42	-1.0	-38.05	327.66	5.11	-32.94
O=C(C1=CN=C2CCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148353	1	42	-1.0	-38.03	327.72	5.13	-32.90
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148354	0	41	-1.0	-44.55	335.21	6.44	-38.11
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148354	1	41	-1.0	-44.56	335.27	6.47	-38.09
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148355	0	43	-1.0	-43.36	342.04	7.49	-35.87
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148355	1	43	-1.0	-43.36	342.10	7.52	-35.84
COCCN1C=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020148356	0	47	-1.0	-41.68	379.33	6.14	-35.54
COCCN1C=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020148356	1	47	-1.0	-41.72	379.39	6.16	-35.56
CC(C)N1C=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020148357	0	46	-1.0	-42.17	363.69	7.55	-34.62
CC(C)N1C=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020148357	1	46	-1.0	-42.13	363.75	7.58	-34.55
O=C(C=CC1=CC=C2OCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148358	0	40	-1.0	-49.76	329.51	4.61	-45.15
O=C(C=CC1=CC=C2OCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148358	1	40	-1.0	-49.80	329.57	4.63	-45.17
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148359	0	38	-1.0	-38.67	329.78	5.45	-33.22
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148359	1	38	-1.0	-38.65	329.73	5.42	-33.23
C=CCOCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020148360	0	49	-1.0	-43.26	363.69	5.58	-37.68
C=CCOCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020148360	1	49	-1.0	-43.26	363.75	5.60	-37.66
CC12CCCN1S(=O)(=O)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020148361	0	45	-1.0	-56.48	341.07	1.77	-54.71
CC12CCCN1S(=O)(=O)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020148361	1	45	-1.0	-56.47	341.13	1.79	-54.68
CN1N=CC(C(F)F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148362	0	36	-1.0	-46.00	308.65	3.11	-42.89
CN1N=CC(C(F)F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148362	1	36	-1.0	-46.01	308.59	3.08	-42.93
CC1=NN(C2CCC2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148363	0	43	-1.0	-44.30	337.84	4.98	-39.32
CC1=NN(C2CCC2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148363	1	43	-1.0	-44.36	337.90	5.00	-39.36
O=C(C1=CC=NN1CCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148364	0	39	-1.0	-44.67	328.29	4.19	-40.48
O=C(C1=CC=NN1CCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148364	1	39	-1.0	-44.67	328.24	4.16	-40.51
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148365	0	44	-1.0	-48.58	365.83	6.69	-41.89
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148365	1	44	-1.0	-48.60	365.89	6.71	-41.89
CC1(C)CCCOC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148366	0	46	-1.0	-48.43	338.46	5.16	-43.27
CC1(C)CCCOC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148366	1	46	-1.0	-48.48	338.51	5.18	-43.30
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148367	0	39	-1.0	-42.30	341.45	3.64	-38.66
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148367	1	39	-1.0	-42.26	341.51	3.67	-38.59
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148368	0	37	-1.0	-49.09	325.70	6.49	-42.60
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148368	1	37	-1.0	-49.13	325.76	6.51	-42.62
CC(=O)NC(COC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148369	0	46	-1.0	-53.28	359.08	2.60	-50.68
CC(=O)NC(COC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148369	1	46	-1.0	-53.28	359.14	2.62	-50.66
CC1(C)OCC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020148370	0	44	-1.0	-46.52	346.22	3.63	-42.89
CC1(C)OCC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020148370	1	44	-1.0	-46.51	346.28	3.65	-42.86
CCCCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148371	0	50	-1.0	-39.25	397.77	7.75	-31.50
CCCCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148371	1	50	-1.0	-39.23	397.82	7.78	-31.45
COC1=CC2=CC=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020148372	0	46	-1.0	-50.52	370.16	7.00	-43.52
COC1=CC2=CC=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020148372	1	46	-1.0	-50.56	370.22	7.03	-43.53
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148373	0	51	-1.0	-45.69	389.39	8.50	-37.19
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148373	1	51	-1.0	-45.65	389.45	8.53	-37.12
COC1=CC=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020148374	0	40	-1.0	-46.38	341.92	5.04	-41.34
COC1=CC=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020148374	1	40	-1.0	-46.41	341.97	5.06	-41.35
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148375	0	39	-1.0	-45.03	335.02	2.34	-42.69
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148375	1	39	-1.0	-45.01	335.08	2.37	-42.64
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148376	0	43	-1.0	-60.30	362.93	4.04	-56.26
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148376	1	43	-1.0	-60.30	362.99	4.07	-56.23
CC12CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CC1)OC2	REAL300020148377	0	44	-1.0	-45.07	322.96	4.17	-40.90
CC12CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CC1)OC2	REAL300020148377	1	44	-1.0	-45.07	323.02	4.20	-40.87
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148378	0	33	-1.0	-41.14	302.60	5.12	-36.02
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148378	1	33	-1.0	-41.13	302.66	5.15	-35.98
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148379	0	39	-1.0	-50.02	331.60	5.40	-44.62
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148379	1	39	-1.0	-50.05	331.66	5.42	-44.63
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148380	0	38	-1.0	-44.63	320.29	4.92	-39.71
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148380	1	38	-1.0	-44.59	320.23	4.90	-39.69
COC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020148381	0	42	-1.0	-41.74	354.11	4.78	-36.96
COC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020148381	1	42	-1.0	-41.76	354.16	4.80	-36.96
CC1=C(C)NC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148382	0	39	-1.0	-49.35	312.96	2.58	-46.77
CC1=C(C)NC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148382	1	39	-1.0	-49.34	313.02	2.61	-46.73
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148383	0	42	-1.0	-47.57	350.50	6.95	-40.62
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148383	1	42	-1.0	-47.59	350.56	6.97	-40.62
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(F)=C1	REAL300020148384	0	42	-1.0	-46.03	342.20	6.80	-39.23
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(F)=C1	REAL300020148384	1	42	-1.0	-45.98	342.26	6.83	-39.15
CC(C)(C)N1C=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020148385	0	45	-1.0	-51.50	357.54	5.28	-46.22
CC(C)(C)N1C=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020148385	1	45	-1.0	-51.48	357.48	5.26	-46.22
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148386	0	40	-1.0	-52.70	335.64	4.54	-48.16
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148386	1	40	-1.0	-52.69	335.70	4.57	-48.12
CC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)C(F)=C1	REAL300020148387	0	43	-1.0	-52.28	346.05	7.02	-45.26
CC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)C(F)=C1	REAL300020148387	1	43	-1.0	-52.27	346.11	7.05	-45.22
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020148388	0	33	-2.0	-94.81	300.09	3.20	-91.61
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020148388	1	33	-2.0	-94.83	300.15	3.23	-91.60
CCCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=NN1CC	REAL300020148389	0	44	-1.0	-46.84	349.06	4.18	-42.66
CCCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=NN1CC	REAL300020148389	1	44	-1.0	-46.83	349.12	4.20	-42.63
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=NNC=N2)=N1	REAL300020148390	0	41	-1.0	-46.23	350.52	3.77	-42.46
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=NNC=N2)=N1	REAL300020148390	1	41	-1.0	-46.20	350.58	3.80	-42.40
O=C(NC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCCCC1	REAL300020148391	0	52	-1.0	-46.86	397.76	6.48	-40.38
O=C(NC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCCCC1	REAL300020148391	1	52	-1.0	-46.85	397.82	6.51	-40.34
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148392	0	42	-1.0	-48.22	360.62	5.58	-42.64
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148392	1	42	-1.0	-48.21	360.57	5.55	-42.66
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148393	0	36	-1.0	-44.24	315.34	4.69	-39.55
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148393	1	36	-1.0	-44.24	315.40	4.72	-39.52
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148394	0	43	-1.0	-47.92	348.29	5.48	-42.44
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148394	1	43	-1.0	-47.89	348.35	5.51	-42.38
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148395	0	45	-1.0	-48.65	367.96	3.12	-45.53
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148395	1	45	-1.0	-48.66	368.02	3.14	-45.52
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148396	0	46	-1.0	-48.14	382.32	7.07	-41.07
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148396	1	46	-1.0	-48.11	382.38	7.10	-41.01
CC1=NNC2=C1CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CC2	REAL300020148397	0	43	-1.0	-49.46	334.53	3.93	-45.53
CC1=NNC2=C1CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CC2	REAL300020148397	1	43	-1.0	-49.44	334.59	3.95	-45.49
CC1=C2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2=NN1	REAL300020148397	1	43	-1.0	-47.75	334.85	3.92	-43.83
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148398	0	44	-1.0	-50.84	354.50	4.62	-46.22
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148398	1	44	-1.0	-50.82	354.55	4.65	-46.17
CSC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020148399	0	39	-1.0	-44.78	334.23	5.99	-38.79
CSC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020148399	1	39	-1.0	-44.76	334.28	6.01	-38.75
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148400	0	43	-1.0	-46.60	339.10	5.46	-41.14
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148400	1	43	-1.0	-46.64	339.15	5.48	-41.16
C=C1CCC1(C(=O)OC)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148401	0	40	-1.0	-43.80	321.88	4.49	-39.31
C=C1CCC1(C(=O)OC)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148401	1	40	-1.0	-43.79	321.93	4.52	-39.27
NS(=O)(=O)C1=COC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148402	0	35	-1.0	-43.89	307.51	-2.47	-46.36
NS(=O)(=O)C1=COC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148402	1	35	-1.0	-43.86	307.57	-2.45	-46.31
N#CC1=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=NN2C=C1	REAL300020148403	0	37	-1.0	-50.99	320.14	4.65	-46.34
N#CC1=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=NN2C=C1	REAL300020148403	1	37	-1.0	-50.98	320.08	4.63	-46.35
O=C(C1=CC(Cl)=NN1C1=NC=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148404	0	39	-1.0	-47.15	347.14	6.71	-40.44
O=C(C1=CC(Cl)=NN1C1=NC=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148404	1	39	-1.0	-47.18	347.08	6.68	-40.50
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148405	0	43	-1.0	-47.64	355.54	5.73	-41.91
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148405	1	43	-1.0	-47.61	355.59	5.76	-41.85
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148406	0	47	-1.0	-56.15	370.28	3.43	-52.72
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148406	1	47	-1.0	-56.16	370.34	3.45	-52.71
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148407	0	37	-1.0	-43.70	320.35	3.61	-40.09
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148407	1	37	-1.0	-43.71	320.41	3.64	-40.07
C[C@@H]1CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NN=C2[C@H](C)O1	REAL300020148408	0	44	-1.0	-41.70	350.03	2.53	-39.17
C[C@@H]1CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NN=C2[C@H](C)O1	REAL300020148408	1	44	-1.0	-41.66	350.08	2.55	-39.11
C[C@@H]1CC2=C(NN=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H](C)O1	REAL300020148408	1	44	-1.0	-42.00	344.81	2.97	-39.03
C[C@@H]1CC2=C(NN=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H](C)O1	REAL300020148408	1	44	-1.0	-42.03	344.87	3.00	-39.03
O=C(CCC1=C(Br)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148409	0	36	-1.0	-45.16	325.74	5.87	-39.29
O=C(CCC1=C(Br)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148409	1	36	-1.0	-45.16	325.80	5.90	-39.26
O=C(CCNC1=CN=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148410	0	39	-1.0	-50.31	319.64	2.44	-47.87
O=C(CCNC1=CN=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148410	1	39	-1.0	-50.31	319.58	2.41	-47.90
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148411	0	39	-1.0	-53.76	338.01	5.56	-48.20
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148411	1	39	-1.0	-53.78	338.07	5.59	-48.19
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148411	1	39	-1.0	-52.31	337.86	5.56	-46.75
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148411	1	39	-1.0	-52.32	337.91	5.59	-46.73
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148412	0	54	-1.0	-39.34	404.89	7.53	-31.81
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148412	1	54	-1.0	-39.29	404.94	7.55	-31.74
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148413	0	42	-1.0	-48.99	350.08	6.10	-42.89
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148413	1	42	-1.0	-48.96	350.02	6.07	-42.89
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148414	0	40	-1.0	-49.16	346.11	5.52	-43.64
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148414	1	40	-1.0	-49.19	346.05	5.50	-43.69
O=C(C1CCCC(F)(F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148415	0	42	-1.0	-45.01	308.66	5.12	-39.89
O=C(C1CCCC(F)(F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148415	1	42	-1.0	-45.01	308.71	5.15	-39.86
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148416	0	40	-1.0	-49.38	322.96	3.94	-45.44
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148416	1	40	-1.0	-49.39	323.02	3.96	-45.43
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148417	0	41	-1.0	-61.34	339.94	6.10	-55.24
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148417	1	41	-1.0	-61.36	340.00	6.12	-55.24
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148418	0	40	-1.0	-48.44	331.95	6.68	-41.76
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148418	1	40	-1.0	-48.42	332.01	6.70	-41.72
O=C(CCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1	REAL300020148419	0	52	-1.0	-57.74	414.07	6.85	-50.89
O=C(CCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1	REAL300020148419	1	52	-1.0	-57.77	414.13	6.87	-50.90
O=C(C1CCC2=CC=NN2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148420	0	40	-1.0	-46.39	315.15	3.90	-42.49
O=C(C1CCC2=CC=NN2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148420	1	40	-1.0	-46.39	315.21	3.93	-42.46
O=C(C1=C2C=NSC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148421	0	35	-1.0	-49.10	301.25	4.53	-44.57
O=C(C1=C2C=NSC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148421	1	35	-1.0	-49.08	301.19	4.50	-44.58
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020148422	0	39	-1.0	-53.30	343.43	2.43	-50.87
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020148422	1	39	-1.0	-53.34	343.48	2.45	-50.89
O=C(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148423	0	39	-1.0	-47.03	343.40	6.42	-40.61
O=C(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148423	1	39	-1.0	-47.04	343.46	6.44	-40.60
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(F)C(Br)=C1F	REAL300020148424	0	35	-1.0	-39.90	314.47	3.20	-36.70
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(F)C(Br)=C1F	REAL300020148424	1	35	-1.0	-39.91	314.52	3.22	-36.69
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C2CC2)=NO1	REAL300020148425	0	41	-1.0	-42.95	325.40	4.19	-38.76
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C2CC2)=NO1	REAL300020148425	1	41	-1.0	-42.95	325.46	4.22	-38.73
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020148426	0	49	-1.0	-44.56	394.16	2.91	-41.65
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020148426	1	49	-1.0	-44.58	394.21	2.93	-41.65
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148427	0	38	-1.0	-39.11	327.41	5.25	-33.86
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148427	1	38	-1.0	-39.12	327.47	5.28	-33.84
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300020148428	0	40	-1.0	-49.30	329.50	6.40	-42.90
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1(F)F	REAL300020148428	1	40	-1.0	-49.32	329.56	6.42	-42.90
CN(C)C1=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020148429	0	47	-1.0	-47.82	367.49	7.04	-40.78
CN(C)C1=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020148429	1	47	-1.0	-47.81	367.55	7.07	-40.74
COC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020148430	0	54	-1.0	-58.22	415.39	3.56	-54.66
COC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020148430	1	54	-1.0	-58.17	415.44	3.58	-54.59
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=NNN=C2)CCCC1	REAL300020148431	0	45	-1.0	-54.63	337.45	3.12	-51.51
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=NNN=C2)CCCC1	REAL300020148431	1	45	-1.0	-54.62	337.51	3.15	-51.47
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148432	0	54	-1.0	-46.39	406.72	6.51	-39.88
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148432	1	54	-1.0	-46.41	406.67	6.48	-39.93
C#CC1=CC=C(C2CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148433	0	42	-1.0	-48.14	349.28	7.95	-40.19
C#CC1=CC=C(C2CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148433	1	42	-1.0	-48.18	349.33	7.98	-40.20
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=N1	REAL300020148434	0	41	-1.0	-48.23	334.40	5.53	-42.70
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=N1	REAL300020148434	1	41	-1.0	-48.23	334.46	5.55	-42.68
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCC2)CC1(F)F	REAL300020148435	0	40	-1.0	-43.04	308.38	5.28	-37.76
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCC2)CC1(F)F	REAL300020148435	1	40	-1.0	-43.03	308.44	5.31	-37.72
CN1N=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C21	REAL300020148436	0	45	-1.0	-46.00	364.87	5.60	-40.40
CN1N=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C21	REAL300020148436	1	45	-1.0	-46.02	364.92	5.62	-40.40
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300020148437	0	43	-1.0	-47.02	335.40	5.80	-41.22
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300020148437	1	43	-1.0	-47.01	335.46	5.82	-41.19
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148438	0	53	-1.0	-56.27	402.68	3.82	-52.45
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148438	1	53	-1.0	-56.28	402.74	3.85	-52.43
COC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=C1OC	REAL300020148439	0	49	-1.0	-52.46	396.34	5.17	-47.29
COC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=C1OC	REAL300020148439	1	49	-1.0	-52.47	396.40	5.20	-47.27
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148440	0	49	-1.0	-53.49	376.66	4.54	-48.95
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148440	1	49	-1.0	-53.49	376.72	4.57	-48.92
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C)(C)C1	REAL300020148441	0	59	-1.0	-46.55	434.22	4.63	-41.92
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C)(C)C1	REAL300020148441	1	59	-1.0	-46.58	434.28	4.65	-41.93
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)(C2CC2)C1	REAL300020148442	0	57	-1.0	-52.82	417.02	5.97	-46.85
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)(C2CC2)C1	REAL300020148442	1	57	-1.0	-52.85	417.08	5.99	-46.86
O=C(C1=C2C(=O)NCCN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148443	0	38	-1.0	-58.68	310.80	0.62	-58.06
O=C(C1=C2C(=O)NCCN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148443	1	38	-1.0	-58.73	310.75	0.59	-58.14
CC=CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020148444	0	48	-1.0	-54.45	385.60	7.08	-47.37
CC=CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020148444	1	48	-1.0	-54.50	385.66	7.10	-47.40
O=C(C1CC(=O)CC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148445	0	42	-1.0	-45.58	318.38	5.12	-40.46
O=C(C1CC(=O)CC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148445	1	42	-1.0	-45.61	318.44	5.14	-40.47
CC1=CNC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020148446	0	39	-1.0	-41.61	318.71	4.40	-37.21
CC1=CNC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020148446	1	39	-1.0	-41.61	318.77	4.42	-37.19
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148447	0	57	-1.0	-52.12	430.58	4.58	-47.54
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148447	1	57	-1.0	-52.08	430.64	4.60	-47.48
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148448	0	57	-1.0	-53.98	412.92	5.95	-48.03
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148448	1	57	-1.0	-53.91	412.98	5.97	-47.94
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148449	0	40	-1.0	-47.98	334.25	3.11	-44.87
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148449	1	40	-1.0	-47.95	334.30	3.13	-44.82
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148450	0	50	-1.0	-52.63	373.49	7.07	-45.56
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148450	1	50	-1.0	-52.64	373.55	7.09	-45.55
CC1=NN=C(CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)O1	REAL300020148451	0	44	-1.0	-52.32	365.40	1.83	-50.49
CC1=NN=C(CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)O1	REAL300020148451	1	44	-1.0	-52.33	365.46	1.85	-50.48
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148452	0	39	-1.0	-39.98	334.53	7.20	-32.78
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148452	1	39	-1.0	-40.00	334.59	7.22	-32.78
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148453	0	45	-1.0	-48.18	363.25	8.12	-40.06
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148453	1	45	-1.0	-48.21	363.31	8.15	-40.06
CC1=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C2C(F)=C1	REAL300020148454	0	41	-1.0	-45.53	338.53	5.46	-40.07
CC1=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C2C(F)=C1	REAL300020148454	1	41	-1.0	-45.50	338.47	5.44	-40.06
CN1C=C(C2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CO2)C=N1	REAL300020148455	0	39	-1.0	-48.03	330.81	1.84	-46.19
CN1C=C(C2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CO2)C=N1	REAL300020148455	1	39	-1.0	-48.03	330.75	1.81	-46.22
COC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C(C)C=C1	REAL300020148456	0	44	-1.0	-47.74	351.55	4.84	-42.90
COC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C(C)C=C1	REAL300020148456	1	44	-1.0	-47.75	351.61	4.87	-42.88
CCCCOC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148457	0	49	-1.0	-48.56	389.03	7.24	-41.32
CCCCOC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148457	1	49	-1.0	-48.59	389.08	7.27	-41.32
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020148458	0	50	-1.0	-54.25	405.33	3.56	-50.69
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020148458	1	50	-1.0	-54.24	405.39	3.59	-50.65
COC1=NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020148459	0	42	-1.0	-39.18	343.38	3.33	-35.85
COC1=NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020148459	1	42	-1.0	-39.20	343.32	3.30	-35.90
CC1=CN2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C2S1	REAL300020148460	0	36	-1.0	-47.46	307.57	4.74	-42.72
CC1=CN2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C2S1	REAL300020148460	1	36	-1.0	-47.46	307.51	4.71	-42.75
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148461	0	43	-1.0	-45.39	363.86	5.78	-39.61
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148461	1	43	-1.0	-45.38	363.91	5.81	-39.57
O=C(C1=CC(Cl)=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148462	0	30	-1.0	-34.77	293.23	4.54	-30.23
O=C(C1=CC(Cl)=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148462	1	30	-1.0	-34.78	293.29	4.56	-30.22
CC(C)(C)C1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148463	0	44	-1.0	-40.62	341.24	5.86	-34.76
CC(C)(C)C1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148463	1	44	-1.0	-40.60	341.19	5.83	-34.77
COC1CC2(C1)CCC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CC2	REAL300020148464	0	50	-1.0	-47.88	373.47	5.50	-42.38
COC1CC2(C1)CCC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CC2	REAL300020148464	1	50	-1.0	-47.87	373.53	5.53	-42.34
CCCC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148465	0	51	-1.0	-48.07	394.94	8.83	-39.24
CCCC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148465	1	51	-1.0	-48.04	395.00	8.85	-39.19
CCC(C)(C)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148466	0	54	-1.0	-46.14	368.90	7.09	-39.05
CCC(C)(C)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148466	1	54	-1.0	-46.10	368.96	7.12	-38.98
CC1=CC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C2C=C1	REAL300020148467	0	41	-1.0	-46.72	332.62	5.48	-41.24
CC1=CC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C2C=C1	REAL300020148467	1	41	-1.0	-46.69	332.56	5.45	-41.24
CN1C=C(C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NO2)N=N1	REAL300020148468	0	38	-1.0	-50.11	324.59	2.61	-47.50
CN1C=C(C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NO2)N=N1	REAL300020148468	1	38	-1.0	-50.14	324.64	2.64	-47.50
O=C(C1CCC2(CC(=O)C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148469	0	45	-1.0	-51.49	342.00	5.58	-45.91
O=C(C1CCC2(CC(=O)C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148469	1	45	-1.0	-51.49	342.06	5.60	-45.89
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148470	0	40	-1.0	-44.60	325.94	4.18	-40.42
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148470	1	40	-1.0	-44.58	326.00	4.20	-40.38
CCC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148471	0	48	-1.0	-48.56	366.51	7.80	-40.76
CCC(CCC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148471	1	48	-1.0	-48.58	366.57	7.82	-40.76
COC1(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020148472	0	43	-1.0	-42.35	325.91	4.82	-37.53
COC1(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020148472	1	43	-1.0	-42.37	325.97	4.84	-37.53
O=C(CCC1=CC=C2CCOCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148473	0	47	-1.0	-46.68	369.81	6.35	-40.33
O=C(CCC1=CC=C2CCOCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148473	1	47	-1.0	-46.69	369.87	6.37	-40.32
O=C(C1CC12CCC(F)(F)CC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148474	0	43	-1.0	-48.13	333.74	6.27	-41.86
O=C(C1CC12CCC(F)(F)CC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148474	1	43	-1.0	-48.13	333.80	6.29	-41.84
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1Br	REAL300020148475	0	35	-1.0	-43.05	304.49	4.54	-38.51
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1Br	REAL300020148475	1	35	-1.0	-43.02	304.44	4.52	-38.50
CN(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020148476	0	43	-1.0	-44.98	350.90	5.71	-39.27
CN(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020148476	1	43	-1.0	-45.02	350.95	5.74	-39.28
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148477	0	37	-1.0	-44.85	320.85	4.29	-40.56
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148477	1	37	-1.0	-44.84	320.79	4.27	-40.57
COC(=O)C1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148478	0	36	-1.0	-39.33	316.17	4.07	-35.26
COC(=O)C1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148478	1	36	-1.0	-39.32	316.23	4.10	-35.22
CC(C)(C)C1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148479	0	44	-1.0	-43.86	341.92	4.89	-38.97
CC(C)(C)C1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148479	1	44	-1.0	-43.84	341.87	4.87	-38.97
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148480	0	41	-1.0	-44.55	358.18	6.58	-37.97
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148480	1	41	-1.0	-44.59	358.23	6.61	-37.98
N#CC1=CC=C(C2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CO2)C=C1	REAL300020148481	0	40	-1.0	-49.74	345.80	3.19	-46.55
N#CC1=CC=C(C2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CO2)C=C1	REAL300020148481	1	40	-1.0	-49.73	345.75	3.17	-46.56
COC1CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020148482	0	46	-1.0	-49.70	350.93	4.66	-45.04
COC1CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020148482	1	46	-1.0	-49.74	350.98	4.68	-45.06
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148483	0	57	-1.0	-49.22	425.20	6.67	-42.55
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148483	1	57	-1.0	-49.26	425.25	6.70	-42.56
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300020148484	0	43	-1.0	-44.77	355.43	6.50	-38.27
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300020148484	1	43	-1.0	-44.76	355.49	6.52	-38.24
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148485	0	53	-1.0	-43.38	406.26	4.09	-39.29
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148485	1	53	-1.0	-43.37	406.32	4.12	-39.25
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=NN21	REAL300020148486	0	47	-1.0	-54.65	367.79	5.91	-48.74
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=NN21	REAL300020148486	1	47	-1.0	-54.62	367.73	5.88	-48.74
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCCN1C(=O)CCCC2	REAL300020148487	0	47	-1.0	-56.22	340.74	4.31	-51.91
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCCN1C(=O)CCCC2	REAL300020148487	1	47	-1.0	-56.26	340.79	4.33	-51.93
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300020148488	0	43	-1.0	-47.58	349.02	7.18	-40.40
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300020148488	1	43	-1.0	-47.60	349.07	7.21	-40.39
O=C(C1CCC2(CC2(F)F)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148489	0	40	-1.0	-50.10	319.05	5.63	-44.47
O=C(C1CCC2(CC2(F)F)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148489	1	40	-1.0	-50.13	319.11	5.65	-44.48
O=C(C1CCCC2C1C2(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148490	0	40	-1.0	-43.89	311.61	5.46	-38.43
O=C(C1CCCC2C1C2(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148490	1	40	-1.0	-43.87	311.67	5.49	-38.38
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148491	0	44	-1.0	-53.08	345.93	6.05	-47.03
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148491	1	44	-1.0	-53.06	345.99	6.07	-46.99
O=C(CCC1=CC=CC(Br)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148492	0	39	-1.0	-47.23	342.24	6.89	-40.34
O=C(CCC1=CC=CC(Br)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148492	1	39	-1.0	-47.25	342.29	6.91	-40.34
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148493	0	51	-1.0	-44.63	344.27	6.85	-37.78
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148493	1	51	-1.0	-44.60	344.32	6.87	-37.73
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@@H]12	REAL300020148494	0	51	-1.0	-47.78	397.27	4.07	-43.71
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@@H]12	REAL300020148494	1	51	-1.0	-47.84	397.33	4.10	-43.74
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)F)=NN1C	REAL300020148495	0	39	-1.0	-50.60	328.56	3.64	-46.96
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)F)=NN1C	REAL300020148495	1	39	-1.0	-50.56	328.62	3.66	-46.90
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148496	0	44	-1.0	-59.68	337.77	3.94	-55.74
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148496	1	44	-1.0	-59.66	337.83	3.96	-55.70
CCC1=CC=C(C(=O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020148497	0	38	-1.0	-40.86	323.17	5.12	-35.74
CCC1=CC=C(C(=O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020148497	1	38	-1.0	-40.84	323.22	5.15	-35.69
COC1=CC(Br)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020148498	0	37	-1.0	-39.06	324.41	4.40	-34.66
COC1=CC(Br)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020148498	1	37	-1.0	-39.05	324.47	4.43	-34.62
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148499	0	51	-1.0	-46.35	393.50	4.01	-42.34
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148499	1	51	-1.0	-46.33	393.56	4.04	-42.29
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148500	0	54	-1.0	-50.94	411.62	5.80	-45.14
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148500	1	54	-1.0	-50.94	411.67	5.82	-45.12
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C12COC2	REAL300020148501	0	55	-1.0	-51.94	406.70	4.10	-47.84
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C12COC2	REAL300020148501	1	55	-1.0	-51.96	406.76	4.13	-47.83
O=C(C1=CC(C2CCCC2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148502	0	43	-1.0	-37.67	333.39	4.36	-33.31
O=C(C1=CC(C2CCCC2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148502	1	43	-1.0	-37.72	333.44	4.39	-33.33
CC1(C)OC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2NC1=O	REAL300020148503	0	45	-1.0	-39.42	360.86	3.00	-36.42
CC1(C)OC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2NC1=O	REAL300020148503	1	45	-1.0	-39.43	360.92	3.02	-36.41
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148504	0	41	-1.0	-48.17	326.49	3.58	-44.59
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148504	1	41	-1.0	-48.16	326.55	3.60	-44.56
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020148505	0	41	-1.0	-47.28	343.71	3.31	-43.97
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020148505	1	41	-1.0	-47.24	343.76	3.33	-43.91
COC(=O)C1=CC=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300020148506	0	45	-1.0	-46.50	364.82	7.17	-39.33
COC(=O)C1=CC=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020148506	1	45	-1.0	-46.51	364.88	7.19	-39.32
O=C(C1=CN=CC2=C1CCNC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148507	0	40	-1.0	-44.27	323.56	0.98	-43.29
O=C(C1=CN=CC2=C1CCNC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148507	1	40	-1.0	-44.27	323.61	1.00	-43.27
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NC=C1C(F)F	REAL300020148508	0	38	-1.0	-41.62	312.85	4.88	-36.74
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NC=C1C(F)F	REAL300020148508	1	38	-1.0	-41.67	312.91	4.91	-36.76
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148509	0	41	-1.0	-43.16	336.99	2.68	-40.48
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148509	1	41	-1.0	-43.18	337.04	2.70	-40.48
CN(C)C(=O)C1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148510	0	42	-1.0	-40.93	334.97	2.49	-38.44
CN(C)C(=O)C1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148510	1	42	-1.0	-40.92	334.91	2.47	-38.45
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148511	0	37	-1.0	-47.08	322.19	4.38	-42.70
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148511	1	37	-1.0	-47.07	322.13	4.36	-42.71
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148512	0	53	-1.0	-46.18	411.91	2.28	-43.90
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148512	1	53	-1.0	-46.13	411.97	2.31	-43.82
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148513	0	56	-1.0	-57.11	418.65	5.96	-51.15
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148513	1	56	-1.0	-57.13	418.70	5.98	-51.15
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148514	0	53	-1.0	-40.81	395.43	4.20	-36.61
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148514	1	53	-1.0	-40.79	395.48	4.23	-36.56
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148515	0	54	-1.0	-52.32	418.04	4.92	-47.40
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148515	1	54	-1.0	-52.37	418.09	4.94	-47.43
COC1=CC=CC=C1OC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148516	0	44	-1.0	-41.78	347.75	5.48	-36.30
COC1=CC=CC=C1OC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148516	1	44	-1.0	-41.80	347.80	5.51	-36.29
CC1=C(Cl)C=NN1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148517	0	36	-1.0	-51.28	313.02	3.79	-47.49
CC1=C(Cl)C=NN1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148517	1	36	-1.0	-51.23	313.08	3.81	-47.42
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C12CCC2	REAL300020148518	0	57	-1.0	-49.11	411.66	5.62	-43.49
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C12CCC2	REAL300020148518	1	57	-1.0	-49.07	411.72	5.64	-43.43
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148519	0	47	-1.0	-56.29	369.67	3.40	-52.89
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148519	1	47	-1.0	-56.25	369.73	3.42	-52.83
O=C(C1=C(F)C=C(Br)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020148520	0	35	-1.0	-49.84	326.68	6.20	-43.64
O=C(C1=C(F)C=C(Br)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020148520	1	35	-1.0	-49.86	326.74	6.23	-43.63
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)N(C)C	REAL300020148521	0	47	-1.0	-55.63	370.37	2.84	-52.79
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)N(C)C	REAL300020148521	1	47	-1.0	-55.63	370.43	2.86	-52.77
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N2C=C(C)SC2=N1	REAL300020148522	0	42	-1.0	-45.46	356.64	6.29	-39.17
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N2C=C(C)SC2=N1	REAL300020148522	1	42	-1.0	-45.46	356.70	6.31	-39.15
O=C(C1CCC(C2CCCO2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148523	0	45	-1.0	-50.35	344.66	3.98	-46.37
O=C(C1CCC(C2CCCO2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148523	1	45	-1.0	-50.32	344.72	4.00	-46.32
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148524	0	54	-1.0	-56.68	404.02	5.99	-50.69
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148524	1	54	-1.0	-56.68	404.08	6.01	-50.67
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148525	0	36	-1.0	-47.59	324.29	5.81	-41.78
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148525	1	36	-1.0	-47.63	324.35	5.83	-41.80
CC1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020148526	0	38	-1.0	-45.96	320.65	5.68	-40.28
CC1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020148526	1	38	-1.0	-45.96	320.71	5.71	-40.25
CN1N=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020148527	0	38	-1.0	-63.01	312.39	2.99	-60.02
CN1N=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020148527	1	38	-1.0	-63.02	312.33	2.96	-60.06
O=C(C1=CN=C2OCCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148528	0	40	-1.0	-45.85	318.52	1.89	-43.96
O=C(C1=CN=C2OCCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148528	1	40	-1.0	-45.83	318.46	1.86	-43.97
CCCNC(=O)OCC1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL300020149529	0	46	-1.0	-44.30	360.92	3.58	-40.72
CCCNC(=O)OCC1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL300020149529	1	46	-1.0	-44.28	360.98	3.60	-40.68
CC(C)C(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020149530	0	41	-1.0	-39.34	349.22	5.60	-33.74
CC(C)C(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020149530	1	41	-1.0	-39.31	349.27	5.61	-33.70
O=C(CCC1=N[N-]N=N1)N(CC1=C(Cl)C=CC=C1Cl)C1CC1	REAL300020149531	0	36	-1.0	-39.58	320.23	6.87	-32.71
O=C(CCC1=NN=N[N-]1)N(CC1=C(Cl)C=CC=C1Cl)C1CC1	REAL300020149531	1	36	-1.0	-39.60	320.29	6.89	-32.71
CC(C)(C)C1=CC=C(C2CCC(NC(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020149532	0	54	-1.0	-40.02	408.94	8.57	-31.45
CC(C)(C)C1=CC=C(C2CCC(NC(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020149532	1	54	-1.0	-40.06	409.00	8.59	-31.47
O=C(CCC1=N[N-]N=N1)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1	REAL300020149533	0	42	-1.0	-45.47	355.25	3.13	-42.34
O=C(CCC1=NN=N[N-]1)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1	REAL300020149533	1	42	-1.0	-45.47	355.31	3.14	-42.33
CC1(O)CCCCC1C1CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020149534	0	46	-1.0	-43.44	330.60	2.86	-40.58
CC1(O)CCCCC1C1CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020149534	1	46	-1.0	-43.37	330.66	2.88	-40.49
CS(=O)(=O)C1(CNC(=O)CCC2=N[N-]N=N2)CCCC1	REAL300020149535	0	38	-1.0	-48.90	312.02	0.14	-48.76
CS(=O)(=O)C1(CNC(=O)CCC2=NN=N[N-]2)CCCC1	REAL300020149535	1	38	-1.0	-48.89	312.08	0.15	-48.74
O=C(CCC1=N[N-]N=N1)NCC(N1CCOCC1)C(F)(F)F	REAL300020149536	0	38	-1.0	-39.78	311.88	-0.81	-40.59
O=C(CCC1=NN=N[N-]1)NCC(N1CCOCC1)C(F)(F)F	REAL300020149536	1	38	-1.0	-39.78	311.93	-0.79	-40.57
O=C(CCC1=N[N-]N=N1)NNC1=CC=C(N2C=CN=C2)N=N1	REAL300020149537	0	33	-1.0	-46.17	299.07	3.81	-42.36
O=C(CCC1=NN=N[N-]1)NNC1=CC=C(N2C=CN=C2)N=N1	REAL300020149537	1	33	-1.0	-46.16	299.12	3.83	-42.33
CC1CCN(C(=O)OC(C)(C)C)C(C)C1NC(=O)CCC1=N[N-]N=N1	REAL300020149538	0	52	-1.0	-48.35	396.40	4.86	-43.49
CC1CCN(C(=O)OC(C)(C)C)C(C)C1NC(=O)CCC1=NN=N[N-]1	REAL300020149538	1	52	-1.0	-48.34	396.45	4.88	-43.46
CCN(C)C(=O)OCC1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL300020149539	0	46	-1.0	-45.21	359.34	5.40	-39.81
CCN(C)C(=O)OCC1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL300020149539	1	46	-1.0	-45.20	359.40	5.41	-39.79
CC(C)NC(=O)OCC1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL300020149540	0	46	-1.0	-44.57	360.05	3.68	-40.89
CC(C)NC(=O)OCC1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL300020149540	1	46	-1.0	-44.54	360.11	3.70	-40.84
CNC(=O)COC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149541	0	40	-1.0	-50.61	347.61	1.55	-49.06
CNC(=O)COC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149541	1	40	-1.0	-50.61	347.66	1.56	-49.05
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCNC(=O)CCC1=N[N-]N=N1	REAL300020149542	0	40	-1.0	-44.83	365.26	0.45	-44.38
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCNC(=O)CCC1=NN=N[N-]1	REAL300020149542	1	40	-1.0	-44.85	365.32	0.47	-44.38
O=C(CCC1=NN=N[N-]1)NC1=NC2=C(Br)C=CC=C2S1	REAL300020149543	0	28	-1.0	-40.29	284.47	3.79	-36.50
O=C(CCC1=N[N-]N=N1)NC1=NC2=C(Br)C=CC=C2S1	REAL300020149543	1	28	-1.0	-40.30	284.41	3.78	-36.52
COCCCOC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149544	0	43	-1.0	-41.04	364.11	2.79	-38.25
COCCCOC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149544	1	43	-1.0	-41.03	364.17	2.81	-38.22
O=C(CCC1=N[N-]N=N1)NCC1=CC(F)=C(F)C=C1Br	REAL300020149545	0	29	-1.0	-38.44	288.53	3.41	-35.03
O=C(CCC1=NN=N[N-]1)NCC1=CC(F)=C(F)C=C1Br	REAL300020149545	1	29	-1.0	-38.45	288.58	3.42	-35.03
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)CCC2=N[N-]N=N2)S1	REAL300020149546	0	42	-2.0	-89.75	369.26	1.09	-88.66
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)CCC2=NN=N[N-]2)S1	REAL300020149546	1	42	-2.0	-89.74	369.32	1.10	-88.64
O=C(CCC1=N[N-]N=N1)NC1=NC(C2CCOCC2)=CS1	REAL300020149547	0	36	-1.0	-38.11	309.57	2.08	-36.03
O=C(CCC1=NN=N[N-]1)NC1=NC(C2CCOCC2)=CS1	REAL300020149547	1	36	-1.0	-38.11	309.63	2.09	-36.02
O=C(CCC1=N[N-]N=N1)N1CCCC1COC(=O)NC1CCCCC1	REAL300020149548	0	50	-1.0	-46.39	393.06	4.26	-42.13
O=C(CCC1=NN=N[N-]1)N1CCCC1COC(=O)NC1CCCCC1	REAL300020149548	1	50	-1.0	-46.39	393.12	4.27	-42.12
COC(=O)C1CN(C(=O)OC(C)(C)C)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020149549	0	52	-1.0	-52.27	404.11	6.13	-46.14
COC(=O)C1CN(C(=O)OC(C)(C)C)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020149549	1	52	-1.0	-52.30	404.17	6.14	-46.16
CCN(CC(=O)N1CCCCCC1)C(=O)CCC1=N[N-]N=N1	REAL300020149550	0	45	-1.0	-46.53	347.19	5.50	-41.03
CCN(CC(=O)N1CCCCCC1)C(=O)CCC1=NN=N[N-]1	REAL300020149550	1	45	-1.0	-46.51	347.24	5.51	-41.00
O=C(CCC1=N[N-]N=N1)NC1(CC2=CC=C(C(F)(F)F)C=C2)CCOC1	REAL300020149551	0	43	-1.0	-45.10	357.04	5.65	-39.45
O=C(CCC1=NN=N[N-]1)NC1(CC2=CC=C(C(F)(F)F)C=C2)CCOC1	REAL300020149551	1	43	-1.0	-45.12	357.10	5.66	-39.46
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=CC2=C1OCC(=O)N2	REAL300020149552	0	32	-1.0	-40.54	298.37	0.42	-40.12
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=CC2=C1OCC(=O)N2	REAL300020149552	1	32	-1.0	-40.54	298.43	0.43	-40.11
O=C(CCC1=N[N-]N=N1)NCCCCCNC(=O)OCC1=CC=CC=C1	REAL300020149553	0	49	-1.0	-45.36	415.57	3.73	-41.63
O=C(CCC1=NN=N[N-]1)NCCCCCNC(=O)OCC1=CC=CC=C1	REAL300020149553	1	49	-1.0	-45.36	415.63	3.74	-41.62
O=C(CCC1=N[N-]N=N1)N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020149554	0	43	-1.0	-39.38	336.05	7.22	-32.16
O=C(CCC1=NN=N[N-]1)N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020149554	1	43	-1.0	-39.36	336.11	7.23	-32.13
COC1(CNC(=O)CCC2=N[N-]N=N2)CCC(C2=CC=CC=C2)CC1	REAL300020149555	0	49	-1.0	-40.91	374.65	5.16	-35.75
COC1(CNC(=O)CCC2=NN=N[N-]2)CCC(C2=CC=CC=C2)CC1	REAL300020149555	1	49	-1.0	-40.94	374.71	5.17	-35.77
O=C(CCC1=N[N-]N=N1)NCC(F)(F)C1=CC=C(Cl)C=C1	REAL300020149556	0	32	-1.0	-38.51	305.72	4.10	-34.41
O=C(CCC1=NN=N[N-]1)NCC(F)(F)C1=CC=C(Cl)C=C1	REAL300020149556	1	32	-1.0	-38.53	305.78	4.12	-34.41
O=C(CCC1=N[N-]N=N1)NCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300020149557	0	39	-1.0	-46.42	345.43	3.05	-43.37
O=C(CCC1=NN=N[N-]1)NCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300020149557	1	39	-1.0	-46.42	345.48	3.07	-43.35
O=C(CCC1=N[N-]N=N1)NC1=CC(F)=C(N2CCOCC2)C=C1F	REAL300020149558	0	39	-1.0	-38.90	330.66	1.82	-37.08
O=C(CCC1=NN=N[N-]1)NC1=CC(F)=C(N2CCOCC2)C=C1F	REAL300020149558	1	39	-1.0	-38.92	330.72	1.84	-37.08
CC1=CC(=O)OC2=CC(N(C)C(=O)CCC3=N[N-]N=N3)=CC=C12	REAL300020149559	0	37	-1.0	-49.81	319.52	6.39	-43.42
CC1=CC(=O)OC2=CC(N(C)C(=O)CCC3=NN=N[N-]3)=CC=C12	REAL300020149559	1	37	-1.0	-49.82	319.57	6.40	-43.42
CC1=CC=CC(C2=CN=C(NC(=O)CCC3=NN=N[N-]3)S2)=C1	REAL300020149560	0	35	-1.0	-43.56	317.42	5.52	-38.04
CC1=CC=CC(C2=CN=C(NC(=O)CCC3=N[N-]N=N3)S2)=C1	REAL300020149560	1	35	-1.0	-43.59	317.36	5.50	-38.09
CC(C)(C)OC(=O)NC1C2CC1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020149561	0	47	-1.0	-42.18	366.91	3.60	-38.58
CC(C)(C)OC(=O)NC1C2CC1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020149561	1	47	-1.0	-42.20	366.97	3.60	-38.60
O=C(CCC1=N[N-]N=N1)NC1=C(O)C=C(Br)C=C1Cl	REAL300020149562	0	27	-1.0	-41.14	284.09	1.14	-40.00
O=C(CCC1=NN=N[N-]1)NC1=C(O)C=C(Br)C=C1Cl	REAL300020149562	1	27	-1.0	-41.17	284.15	1.15	-40.02
O=C(CCC1=N[N-]N=N1)NC1=C([O-])C=C(Br)C=C1Cl	REAL300020149562	1	26	-2.0	-88.01	280.53	1.90	-86.11
O=C(CCC1=NN=N[N-]1)NC1=C([O-])C=C(Br)C=C1Cl	REAL300020149562	1	26	-2.0	-88.01	280.59	1.91	-86.10
C[NH+](C)CC(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020149563	0	44	0.0	-61.01	361.32	6.93	-54.08
C[NH+](C)CC(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020149563	1	44	0.0	-61.03	361.38	6.95	-54.08
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2C(=O)NNC2=O)C=C1	REAL300020149564	0	34	-1.0	-46.32	296.87	0.17	-46.15
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2C(=O)NNC2=O)C=C1	REAL300020149564	1	34	-1.0	-46.35	296.93	0.18	-46.17
O=C(CCC1=N[N-]N=N1)NC1=CC(F)=C(F)C=C1N1CCOCC1	REAL300020149565	0	39	-1.0	-38.74	330.47	2.11	-36.63
O=C(CCC1=NN=N[N-]1)NC1=CC(F)=C(F)C=C1N1CCOCC1	REAL300020149565	1	39	-1.0	-38.72	330.52	2.13	-36.59
N#CC1=CC=C(OC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C(F)=C1	REAL300020149566	0	41	-1.0	-44.86	348.72	5.72	-39.14
N#CC1=CC=C(OC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C(F)=C1	REAL300020149566	1	41	-1.0	-44.89	348.77	5.74	-39.15
COCC[NH+](CCOC)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149567	0	52	0.0	-59.72	381.58	3.57	-56.15
COCC[NH+](CCOC)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149567	1	52	0.0	-59.73	381.64	3.58	-56.15
CON(C)C(=O)C1=CC(F)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149568	0	37	-1.0	-41.13	324.04	3.13	-38.00
CON(C)C(=O)C1=CC(F)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149568	1	37	-1.0	-41.14	324.09	3.14	-38.00
CN(C)C(=O)SC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1Cl	REAL300020149569	0	37	-1.0	-43.05	345.89	3.66	-39.39
CN(C)C(=O)SC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1Cl	REAL300020149569	1	37	-1.0	-43.06	345.95	3.68	-39.38
COC1=CC=C(CN2CCC(NC(=O)CCC3=N[N-]N=N3)C2=O)C(OC)=C1	REAL300020149570	0	48	-1.0	-51.18	398.87	2.46	-48.72
COC1=CC=C(CN2CCC(NC(=O)CCC3=NN=N[N-]3)C2=O)C(OC)=C1	REAL300020149570	1	48	-1.0	-51.18	398.93	2.47	-48.71
CCN(C)C(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149571	0	39	-1.0	-42.67	325.30	3.45	-39.22
CCN(C)C(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149571	1	39	-1.0	-42.66	325.36	3.46	-39.20
CCN(CC)C(=O)CN1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020149572	0	50	-1.0	-46.67	391.40	2.23	-44.44
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020149572	1	51	0.0	-64.64	393.35	4.44	-60.20
CCN(CC)C(=O)CN1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020149572	1	50	-1.0	-46.66	391.46	2.24	-44.42
O=C(CCC1=N[N-]N=N1)N1CCCCC1COC(=O)NC1CCOC1	REAL300020149573	0	48	-1.0	-44.09	374.17	2.48	-41.61
O=C(CCC1=NN=N[N-]1)N1CCCCC1COC(=O)NC1CCOC1	REAL300020149573	1	48	-1.0	-44.06	374.23	2.50	-41.56
COC1=CC=C(CN2C=C(NC(=O)CCC3=NN=N[N-]3)C=N2)C=C1	REAL300020149574	0	40	-1.0	-46.81	344.74	3.50	-43.31
COC1=CC=C(CN2C=C(NC(=O)CCC3=N[N-]N=N3)C=N2)C=C1	REAL300020149574	1	40	-1.0	-46.81	344.68	3.48	-43.33
CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1CC1=CC=CC=C1	REAL300020149575	0	44	-1.0	-40.56	346.74	4.46	-36.10
CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1CC1=CC=CC=C1	REAL300020149575	1	44	-1.0	-40.52	346.79	4.47	-36.05
C[N@@H+]1CCN(C(=O)CCC2=N[N-]N=N2)CC1CC1=CC=CC=C1	REAL300020149575	1	45	0.0	-67.38	349.29	6.72	-60.66
C[N@H+]1CCN(C(=O)CCC2=N[N-]N=N2)CC1CC1=CC=CC=C1	REAL300020149575	1	45	0.0	-67.50	349.24	6.73	-60.77
C[N@@H+]1CCN(C(=O)CCC2=NN=N[N-]2)CC1CC1=CC=CC=C1	REAL300020149575	1	45	0.0	-67.40	349.34	6.73	-60.67
C[N@H+]1CCN(C(=O)CCC2=NN=N[N-]2)CC1CC1=CC=CC=C1	REAL300020149575	1	45	0.0	-67.45	349.30	6.74	-60.71
CC(C)(C)OC(=O)NCCC1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL300020149576	0	52	-1.0	-40.78	394.95	3.82	-36.96
CC(C)(C)OC(=O)NCCC1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL300020149576	1	52	-1.0	-40.84	395.01	3.84	-37.00
O=C(CCC1=N[N-]N=N1)NC1C2CCC1CC1=CC=CC=C1C2	REAL300020149577	0	43	-1.0	-39.38	327.03	5.53	-33.85
O=C(CCC1=NN=N[N-]1)NC1C2CCC1CC1=CC=CC=C1C2	REAL300020149577	1	43	-1.0	-39.36	327.09	5.54	-33.82
O=C(CCC1=N[N-]N=N1)N1CCN(CC(F)(F)F)C(=O)C1	REAL300020149578	0	33	-1.0	-42.44	289.11	2.17	-40.27
O=C(CCC1=NN=N[N-]1)N1CCN(CC(F)(F)F)C(=O)C1	REAL300020149578	1	33	-1.0	-42.43	289.17	2.18	-40.25
COC1=CC=CC=C1OC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149579	0	44	-1.0	-42.73	350.95	5.13	-37.60
COC1=CC=CC=C1OC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149579	1	44	-1.0	-42.70	351.01	5.14	-37.56
CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149580	0	44	-1.0	-45.58	362.63	1.48	-44.10
CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149580	1	44	-1.0	-45.58	362.68	1.50	-44.08
CCC1=CC=C(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020149581	0	45	-1.0	-40.09	355.42	7.69	-32.40
CCC1=CC=C(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020149581	1	45	-1.0	-40.08	355.48	7.71	-32.37
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)CCC1=NN=N[N-]1)C2	REAL300020149582	0	49	0.0	-66.75	367.79	3.10	-63.65
CN(C)C(=O)CN1C2CCC1CC(NC(=O)CCC1=NN=N[N-]1)C2	REAL300020149582	1	48	-1.0	-45.66	356.97	2.30	-43.36
COCC1(CNC(=O)CCC2=N[N-]N=N2)CCCN1C(=O)OC(C)(C)C	REAL300020149583	0	53	-1.0	-46.69	408.81	4.15	-42.54
COCC1(CNC(=O)CCC2=NN=N[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300020149583	1	53	-1.0	-46.73	408.87	4.17	-42.56
O=C(CCC1=N[N-]N=N1)NC1=CC(F)=C(Br)C(Cl)=C1	REAL300020149584	0	26	-1.0	-37.59	273.60	3.69	-33.90
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CC[NH+](CC)CCOC(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149585	0	50	0.0	-68.92	396.64	6.64	-62.28
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O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=NNC(=O)[N-]2)=C1	REAL300020149630	1	32	-2.0	-94.50	293.64	-0.60	-95.10
CNS(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1[O-]	REAL300020149631	0	34	-2.0	-84.99	306.43	-2.63	-87.62
CNS(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1[O-]	REAL300020149631	1	34	-2.0	-85.00	306.49	-2.62	-87.62
CNS(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1O	REAL300020149631	1	35	-1.0	-43.76	317.72	-3.52	-47.28
CNS(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1O	REAL300020149631	1	35	-1.0	-43.76	317.77	-3.50	-47.26
CCOC(C)(OCC)C(=O)NNC(=O)CCC1=N[N-]N=N1	REAL300020149632	0	40	-1.0	-40.93	335.77	0.72	-40.21
CCOC(C)(OCC)C(=O)NNC(=O)CCC1=NN=N[N-]1	REAL300020149632	1	40	-1.0	-40.92	335.83	0.74	-40.18
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CN1C=C(CN(CCN2C=CN=C2)C(=O)CCC2=N[N-]N=N2)C=N1	REAL300020149634	0	42	-1.0	-45.03	356.57	5.97	-39.06
CN1C=C(CN(CCN2C=CN=C2)C(=O)CCC2=NN=N[N-]2)C=N1	REAL300020149634	1	42	-1.0	-45.04	356.62	5.97	-39.07
CC(C)NC(=O)C1=C2CC(CNC(=O)CCC3=N[N-]N=N3)CCN2N=C1	REAL300020149635	0	49	-1.0	-47.02	397.64	2.11	-44.91
CC(C)NC(=O)C1=C2CC(CNC(=O)CCC3=NN=N[N-]3)CCN2N=C1	REAL300020149635	1	49	-1.0	-47.04	397.69	2.12	-44.92
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CCC(NC(=O)CCC1=NN=N[N-]1)(C(=O)OC)C1=CC=C(Cl)C=C1	REAL300020149687	1	41	-1.0	-41.71	353.03	5.53	-36.18
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CC1(CC2CCCN2C(=O)CCC2=N[N-]N=N2)NC(=O)NC1=O	REAL300020149689	0	41	-1.0	-48.32	325.87	-0.95	-49.27
CC1(CC2CCCN2C(=O)CCC2=NN=N[N-]2)NC(=O)NC1=O	REAL300020149689	1	41	-1.0	-48.35	325.92	-0.93	-49.28
C=C(C)CN(CC1=CN(C(C)C)N=C1)C(=O)CCC1=NN=N[N-]1	REAL300020149690	0	45	-1.0	-45.69	366.18	5.93	-39.76
C=C(C)CN(CC1=CN(C(C)C)N=C1)C(=O)CCC1=N[N-]N=N1	REAL300020149690	1	45	-1.0	-45.68	366.12	5.92	-39.76
CC1(C)CN(C(=O)CCC2=N[N-]N=N2)C2=CC=C(Br)C=C21	REAL300020149691	0	36	-1.0	-38.33	313.85	6.20	-32.13
CC1(C)CN(C(=O)CCC2=NN=N[N-]2)C2=CC=C(Br)C=C21	REAL300020149691	1	36	-1.0	-38.34	313.91	6.22	-32.12
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C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149693	0	42	0.0	-66.20	341.28	6.11	-60.09
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149693	1	42	0.0	-66.53	341.09	6.12	-60.41
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149693	1	42	0.0	-66.28	341.34	6.13	-60.15
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149693	1	42	0.0	-66.57	341.15	6.14	-60.43
CN(CC1=CC=CC=C1)C1CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149693	1	41	-1.0	-40.11	339.72	3.76	-36.35
CN(CC1=CC=CC=C1)C1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149693	1	41	-1.0	-40.13	339.78	3.78	-36.35
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CCCCNC(=O)OCC1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL300020149697	0	49	-1.0	-44.19	382.42	4.35	-39.84
CCCCNC(=O)OCC1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL300020149697	1	49	-1.0	-44.19	382.48	4.37	-39.82
CCNC(=O)OCC1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL300020149698	0	43	-1.0	-44.47	339.42	2.82	-41.65
CCNC(=O)OCC1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL300020149698	1	43	-1.0	-44.45	339.48	2.83	-41.62
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C=C1OC1CCOCC1	REAL300020149699	0	41	-1.0	-38.96	340.46	3.24	-35.72
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C=C1OC1CCOCC1	REAL300020149699	1	41	-1.0	-38.95	340.51	3.27	-35.68
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC(OC(F)(F)F)=C1)C1CC1	REAL300020149700	0	40	-1.0	-38.74	343.16	5.28	-33.46
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC(OC(F)(F)F)=C1)C1CC1	REAL300020149700	1	40	-1.0	-38.75	343.22	5.29	-33.46
CN(CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020149701	0	38	-1.0	-40.94	352.58	6.81	-34.13
CN(CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020149701	1	38	-1.0	-40.94	352.64	6.82	-34.12
O=C(CCC1=N[N-]N=N1)NCC1=C(F)C=CC=C1N1CCCC1	REAL300020149702	0	41	-1.0	-42.26	332.93	3.14	-39.12
O=C(CCC1=NN=N[N-]1)NCC1=C(F)C=CC=C1N1CCCC1	REAL300020149702	1	41	-1.0	-42.23	332.98	3.15	-39.08
O=C(CCC1=N[N-]N=N1)N1CCC(C(F)(F)F)C(CO)C1	REAL300020149703	0	36	-1.0	-41.51	293.55	1.16	-40.35
O=C(CCC1=NN=N[N-]1)N1CCC(C(F)(F)F)C(CO)C1	REAL300020149703	1	36	-1.0	-41.47	293.61	1.18	-40.29
C[N@@H+]1CCC(OC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C1	REAL300020149704	0	46	0.0	-65.92	350.53	4.45	-61.47
C[N@H+]1CCC(OC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C1	REAL300020149704	1	46	0.0	-64.11	350.03	4.46	-59.65
C[N@@H+]1CCC(OC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C1	REAL300020149704	1	46	0.0	-65.91	350.59	4.46	-61.45
C[N@H+]1CCC(OC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C1	REAL300020149704	1	46	0.0	-64.11	350.09	4.48	-59.63
COCCNC(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149705	0	40	-1.0	-51.94	343.07	0.80	-51.14
COCCNC(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149705	1	40	-1.0	-51.91	343.12	0.81	-51.10
COCC1(CNC(=O)CCC2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020149706	0	56	-1.0	-42.65	422.21	4.01	-38.64
COCC1(CNC(=O)CCC2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020149706	1	56	-1.0	-42.64	422.27	4.03	-38.61
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC(O)C1=CC=CC=C1	REAL300020149707	0	46	-1.0	-43.09	377.32	6.45	-36.64
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC(O)C1=CC=CC=C1	REAL300020149707	1	46	-1.0	-43.04	377.38	6.47	-36.57
CN(CCC1=NC(C2=CC=CC=C2)=NO1)C(=O)CCC1=NN=N[N-]1	REAL300020149708	0	40	-1.0	-44.92	347.86	4.22	-40.70
CN(CCC1=NC(C2=CC=CC=C2)=NO1)C(=O)CCC1=N[N-]N=N1	REAL300020149708	1	40	-1.0	-44.96	347.81	4.21	-40.75
CCC1=CC=C(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1Cl	REAL300020149709	0	44	-1.0	-39.12	360.49	5.63	-33.49
CCC1=CC=C(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1Cl	REAL300020149709	1	44	-1.0	-39.11	360.55	5.65	-33.46
O=C(CCC1=N[N-]N=N1)N1CCCC([NH+]2CCOCC2)CC1	REAL300020149710	0	46	0.0	-62.23	333.74	4.11	-58.12
O=C(CCC1=NN=N[N-]1)N1CCCC([NH+]2CCOCC2)CC1	REAL300020149710	1	46	0.0	-62.25	333.80	4.12	-58.13
O=C(CCC1=N[N-]N=N1)N1CCCC(N2CCOCC2)CC1	REAL300020149710	1	45	-1.0	-41.10	332.73	1.94	-39.16
O=C(CCC1=NN=N[N-]1)N1CCCC(N2CCOCC2)CC1	REAL300020149710	1	45	-1.0	-41.08	332.79	1.95	-39.13
CC(C)(C)OC(=O)N1CCCC(C(=O)NNC(=O)CCC2=N[N-]N=N2)C1	REAL300020149711	0	50	-1.0	-43.36	399.20	2.34	-41.02
CC(C)(C)OC(=O)N1CCCC(C(=O)NNC(=O)CCC2=NN=N[N-]2)C1	REAL300020149711	1	50	-1.0	-43.38	399.25	2.35	-41.03
COC(=O)CC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020149712	0	38	-1.0	-42.97	329.24	4.21	-38.76
COC(=O)CC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020149712	1	38	-1.0	-43.02	329.29	4.22	-38.80
COC1=C(NC(=O)CCC2=N[N-]N=N2)C=C(Cl)C=C1C(N)=O	REAL300020149713	0	34	-1.0	-42.64	311.25	0.62	-42.02
COC1=C(NC(=O)CCC2=NN=N[N-]2)C=C(Cl)C=C1C(N)=O	REAL300020149713	1	34	-1.0	-42.64	311.30	0.63	-42.01
COC1=C(NC(=O)CCC2=N[N-]N=N2)C=C(Cl)C=C1C(=O)N(C)C	REAL300020149714	0	40	-1.0	-44.08	354.05	2.84	-41.24
COC1=C(NC(=O)CCC2=NN=N[N-]2)C=C(Cl)C=C1C(=O)N(C)C	REAL300020149714	1	40	-1.0	-44.10	354.11	2.86	-41.24
CN(C)S(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1F	REAL300020149715	0	37	-1.0	-42.11	327.42	0.47	-41.64
CN(C)S(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1F	REAL300020149715	1	37	-1.0	-42.14	327.47	0.48	-41.66
CNS(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1F	REAL300020149716	0	34	-1.0	-42.55	306.10	-1.47	-44.02
CNS(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1F	REAL300020149716	1	34	-1.0	-42.57	306.16	-1.45	-44.02
CN(CC1=CC=C(OCC(F)(F)F)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020149717	0	39	-1.0	-41.82	345.70	5.50	-36.32
CN(CC1=CC=C(OCC(F)(F)F)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020149717	1	39	-1.0	-41.78	345.75	5.51	-36.27
CC1=CC=CC=C1C(C)N(CC(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020149718	0	47	-1.0	-39.50	357.38	8.56	-30.94
CC1=CC=CC=C1C(C)N(CC(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020149718	1	47	-1.0	-39.49	357.43	8.58	-30.91
COCC1=C(C(=O)OC)SC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020149719	0	35	-1.0	-39.63	323.02	1.03	-38.60
COCC1=C(C(=O)OC)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020149719	1	35	-1.0	-39.63	323.08	1.04	-38.59
COCC1=C(C(=O)OC)SC([N-]C(=O)CCC2=N[N-]N=N2)=N1	REAL300020149719	1	34	-2.0	-86.45	319.73	-0.09	-86.54
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300020149720	0	44	0.0	-58.08	351.88	5.19	-52.89
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300020149720	1	44	0.0	-58.10	351.82	5.18	-52.92
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020149721	0	42	-1.0	-41.65	351.57	7.26	-34.39
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020149721	1	42	-1.0	-41.70	351.63	7.27	-34.43
CCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OC)C(OC)=C1	REAL300020149722	0	43	-1.0	-42.00	347.67	3.35	-38.65
CCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OC)C(OC)=C1	REAL300020149722	1	43	-1.0	-42.06	347.73	3.36	-38.70
C[NH+]1CCC(N(CC(O)CC(C)(C)C)C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149723	0	57	0.0	-60.48	414.39	5.50	-54.98
C[NH+]1CCC(N(CC(O)CC(C)(C)C)C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149723	1	57	0.0	-60.50	414.45	5.51	-54.99
CC(C)(CC(=O)N1CCN(C2=CC=CC=C2)CC1)NC(=O)CCC1=N[N-]N=N1	REAL300020149724	0	54	-1.0	-45.91	409.45	4.14	-41.77
CC(C)(CC(=O)N1CCN(C2=CC=CC=C2)CC1)NC(=O)CCC1=NN=N[N-]1	REAL300020149724	1	54	-1.0	-45.87	409.51	4.16	-41.71
CC1(C2CC2)NC(=O)N(C2=CC=CC(CNC(=O)CCC3=N[N-]N=N3)=C2)C1=O	REAL300020149725	0	48	-1.0	-45.70	395.50	3.40	-42.30
CC1(C2CC2)NC(=O)N(C2=CC=CC(CNC(=O)CCC3=NN=N[N-]3)=C2)C1=O	REAL300020149725	1	48	-1.0	-45.71	395.56	3.42	-42.29
CN(C)S(=O)(=O)C1=CC=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020149726	0	44	-1.0	-48.02	363.78	3.30	-44.72
CN(C)S(=O)(=O)C1=CC=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020149726	1	44	-1.0	-48.00	363.84	3.31	-44.69
CC1=NC(CN2N=NC(NC(=O)CCC3=N[N-]N=N3)=C2C)=NO1	REAL300020149727	0	36	-1.0	-52.60	322.57	0.15	-52.45
CC1=NC(CN2N=NC(NC(=O)CCC3=NN=N[N-]3)=C2C)=NO1	REAL300020149727	1	36	-1.0	-52.66	322.63	0.16	-52.50
CNS(=O)(=O)C1=CC=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020149728	0	41	-1.0	-43.41	343.64	1.36	-42.05
CNS(=O)(=O)C1=CC=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020149728	1	41	-1.0	-43.38	343.70	1.37	-42.01
O=C(CCC1=N[N-]N=N1)NC1CCCCCC1C1=CC=C(Cl)C=C1	REAL300020149729	0	45	-1.0	-40.88	360.38	7.72	-33.16
O=C(CCC1=NN=N[N-]1)NC1CCCCCC1C1=CC=C(Cl)C=C1	REAL300020149729	1	45	-1.0	-40.90	360.44	7.73	-33.17
CCOC(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=C(F)C=C1C	REAL300020149730	0	38	-1.0	-39.79	328.72	4.81	-34.98
CCOC(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=C(F)C=C1C	REAL300020149730	1	38	-1.0	-39.77	328.78	4.83	-34.94
CC(C)(C)OC(=O)N1CCC2=C(C=CC(NC(=O)CCC3=N[N-]N=N3)=C2F)C1	REAL300020149731	0	50	-1.0	-41.52	401.40	5.86	-35.66
CC(C)(C)OC(=O)N1CCC2=C(C=CC(NC(=O)CCC3=NN=N[N-]3)=C2F)C1	REAL300020149731	1	50	-1.0	-41.53	401.46	5.87	-35.66
O=C(CCC1=N[N-]N=N1)NC1=CC=C2SCCN(CC(F)F)C2=C1	REAL300020149732	0	39	-1.0	-42.31	334.10	4.09	-38.22
O=C(CCC1=NN=N[N-]1)NC1=CC=C2SCCN(CC(F)F)C2=C1	REAL300020149732	1	39	-1.0	-42.34	334.16	4.10	-38.24
O=C(CCC1=N[N-]N=N1)N1CCC2=C(Br)C=CC([N+](=O)[O-])=C2C1	REAL300020149733	0	35	-1.0	-42.51	314.32	5.92	-36.59
O=C(CCC1=NN=N[N-]1)N1CCC2=C(Br)C=CC([N+](=O)[O-])=C2C1	REAL300020149733	1	35	-1.0	-42.50	314.38	5.93	-36.57
CC12CCN(C(=O)CCC3=N[N-]N=N3)CC1C2(Cl)Cl	REAL300020149734	0	33	-1.0	-41.20	289.21	5.50	-35.70
CC12CCN(C(=O)CCC3=NN=N[N-]3)CC1C2(Cl)Cl	REAL300020149734	1	33	-1.0	-41.19	289.27	5.52	-35.67
CS(=O)(=O)C1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020149735	0	38	-1.0	-47.62	357.35	1.22	-46.40
CS(=O)(=O)C1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020149735	1	38	-1.0	-47.62	357.41	1.24	-46.38
COC(=O)C1=CN(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)N=N1	REAL300020149736	0	38	-1.0	-44.63	342.14	2.98	-41.65
COC(=O)C1=CN(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)N=N1	REAL300020149736	1	38	-1.0	-44.64	342.09	2.97	-41.67
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CC(=O)N1CCN(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2C)C1=O	REAL300020149743	1	44	-1.0	-45.46	367.38	5.11	-40.35
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CN(C)C1=NNC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020149744	1	43	-1.0	-43.76	346.93	5.51	-38.25
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COC1=CC(OC2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2)=CC(OC)=C1	REAL300020149765	0	48	-1.0	-43.13	406.99	4.23	-38.90
COC1=CC(OC2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)=CC(OC)=C1	REAL300020149765	1	48	-1.0	-43.14	407.04	4.24	-38.90
CC(C)(C)OC(=O)N1CCCOC(CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020149766	0	50	-1.0	-46.00	391.78	2.57	-43.43
CC(C)(C)OC(=O)N1CCCOC(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020149766	1	50	-1.0	-46.01	391.83	2.58	-43.43
CC(C)OC1=NC=C(Cl)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149767	0	35	-1.0	-38.21	315.95	1.79	-36.42
CC(C)OC1=NC=C(Cl)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149767	1	35	-1.0	-38.20	315.89	1.77	-36.43
CCNC(=O)N[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1OC	REAL300020149768	0	42	-1.0	-48.68	351.27	-1.05	-49.73
CCNC(=O)N[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1OC	REAL300020149768	1	42	-1.0	-48.70	351.33	-1.04	-49.74
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CC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC(NC(=O)OC(C)(C)C)=C1	REAL300020149770	0	49	-1.0	-44.10	401.09	3.61	-40.49
CC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC(NC(=O)OC(C)(C)C)=C1	REAL300020149770	1	49	-1.0	-44.10	401.15	3.62	-40.48
COC(=O)C1=CC(NNC(=O)CCC2=N[N-]N=N2)=CC=C1F	REAL300020149771	0	34	-1.0	-42.72	307.76	2.87	-39.85
COC(=O)C1=CC(NNC(=O)CCC2=NN=N[N-]2)=CC=C1F	REAL300020149771	1	34	-1.0	-42.70	307.81	2.89	-39.81
C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(C)(C)C)C=C1	REAL300020149772	0	44	-1.0	-38.96	351.32	5.86	-33.10
C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(C)(C)C)C=C1	REAL300020149772	1	44	-1.0	-38.96	351.38	5.87	-33.09
O=C(CCC1=NN=N[N-]1)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1	REAL300020149773	0	47	-1.0	-44.22	386.58	2.50	-41.72
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CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149774	0	38	-2.0	-91.14	351.56	1.04	-90.10
CC1=CC(CNC(=O)C(F)(F)F)=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149774	1	39	-1.0	-41.78	354.53	2.65	-39.13
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149774	1	38	-2.0	-91.13	351.61	1.06	-90.07
CC1=CC(CNC(=O)C(F)(F)F)=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149774	1	39	-1.0	-41.79	354.59	2.67	-39.12
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O=C(CCC1=NN=N[N-]1)NCC(C1=NN=CN1)C1=CC=CC=C1	REAL300020149775	1	38	-1.0	-46.32	324.85	4.42	-41.90
O=C(CCC1=N[N-]N=N1)NCC(C1=NNC=N1)C1=CC=CC=C1	REAL300020149775	1	38	-1.0	-44.92	329.25	3.84	-41.08
CC1=C(Br)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020149776	0	26	-1.0	-43.46	255.43	1.36	-42.10
CC1=C(Br)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020149776	1	26	-1.0	-43.46	255.49	1.37	-42.09
C[Si](C)(C)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149777	0	41	-1.0	-40.73	350.45	7.19	-33.54
C[Si](C)(C)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149777	1	41	-1.0	-40.77	350.50	7.21	-33.56
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O=C(CCC1=NN=N[N-]1)N1CCC2CN(C(=O)C(F)(F)F)CC2C1	REAL300020149778	1	40	-1.0	-42.10	334.17	3.43	-38.67
CC1=CC=CC=C1NC1(CNC(=O)CCC2=N[N-]N=N2)CCCC1	REAL300020149779	0	47	-1.0	-40.30	364.03	4.79	-35.51
CC1=CC=CC=C1NC1(CNC(=O)CCC2=NN=N[N-]2)CCCC1	REAL300020149779	1	47	-1.0	-40.32	364.09	4.80	-35.52
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CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149782	0	41	-1.0	-57.99	353.13	-1.56	-59.55
CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149782	1	41	-1.0	-58.04	353.19	-1.55	-59.59
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CC1=NC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2N1C(C)CO	REAL300020149784	0	42	-1.0	-44.07	345.33	1.59	-42.48
CC1=NC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2N1C(C)CO	REAL300020149784	1	42	-1.0	-44.10	345.39	1.61	-42.49
CC1=NC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2N1C(CO)CO	REAL300020149785	0	43	-1.0	-44.76	354.78	-0.45	-45.21
CC1=NC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2N1C(CO)CO	REAL300020149785	1	43	-1.0	-44.80	354.84	-0.44	-45.24
O=C(CCC1=N[N-]N=N1)NCC(=O)NCC[NH+]1CCCCC1	REAL300020149786	0	45	0.0	-67.71	355.78	1.30	-66.41
O=C(CCC1=NN=N[N-]1)NCC(=O)NCC[NH+]1CCCCC1	REAL300020149786	1	45	0.0	-67.73	355.84	1.31	-66.42
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CC(C)(C)OC(=O)N1CCCC1CCCNC(=O)CCC1=NN=N[N-]1	REAL300020149839	1	52	-1.0	-45.42	407.88	4.38	-41.04
O=C(CCC1=N[N-]N=N1)N1CCCC[C@H]1C(=O)NCC(F)F	REAL300020149840	0	39	-1.0	-47.32	322.88	3.32	-44.00
O=C(CCC1=NN=N[N-]1)N1CCCC[C@H]1C(=O)NCC(F)F	REAL300020149840	1	39	-1.0	-47.32	322.94	3.34	-43.98
CC1=CC=C(CC(CO)CNC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020149841	0	42	-1.0	-41.09	362.03	3.24	-37.85
CC1=CC=C(CC(CO)CNC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300020149841	1	42	-1.0	-41.07	362.09	3.25	-37.82
COC1=CC=C(CC(CO)CNC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020149842	0	43	-1.0	-41.88	372.45	2.01	-39.87
COC1=CC=C(CC(CO)CNC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300020149842	1	43	-1.0	-41.89	372.51	2.03	-39.86
CN(C)C(=O)NC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149843	0	38	-1.0	-45.46	320.44	2.32	-43.14
CN(C)C(=O)NC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149843	1	38	-1.0	-45.45	320.49	2.33	-43.12
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O=C(CCC1=NN=N[N-]1)NCC(CO)CC1=CC(Br)=CC=C1F	REAL300020149844	1	39	-1.0	-39.97	345.30	2.79	-37.18
CN1C=C(I)C(CNC(=O)CCC2=N[N-]N=N2)=N1	REAL300020149845	0	29	-1.0	-42.16	287.50	1.44	-40.72
CN1C=C(I)C(CNC(=O)CCC2=NN=N[N-]2)=N1	REAL300020149845	1	29	-1.0	-42.19	287.56	1.46	-40.73
CCCS(=O)(=O)NC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(F)=C1	REAL300020149846	0	40	-1.0	-43.57	356.58	0.99	-42.58
CCCS(=O)(=O)NC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(F)=C1	REAL300020149846	1	40	-1.0	-43.59	356.63	1.01	-42.58
O=C(CCC1=N[N-]N=N1)NC1CCOC(C2=CC=NC=C2)C1	REAL300020149847	0	39	-1.0	-40.53	321.97	2.40	-38.13
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O=C(CCC1=NN=N[N-]1)N1CC(=O)N(CCC(F)(F)F)C1	REAL300020149848	1	33	-1.0	-40.40	302.33	3.04	-37.36
CN(C(=O)CCC1=N[N-]N=N1)C1CC(NC(=O)OC(C)(C)C)C1	REAL300020149849	0	46	-1.0	-43.11	363.34	2.52	-40.59
CN(C(=O)CCC1=NN=N[N-]1)C1CC(NC(=O)OC(C)(C)C)C1	REAL300020149849	1	46	-1.0	-43.08	363.40	2.54	-40.54
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COCC(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020149851	1	39	-1.0	-39.73	342.33	4.26	-35.47
NC(=O)C1=CC=CC(CN(C(=O)CCC2=N[N-]N=N2)C2CC2)=C1	REAL300020149852	0	40	-1.0	-56.80	331.25	3.01	-53.79
NC(=O)C1=CC=CC(CN(C(=O)CCC2=NN=N[N-]2)C2CC2)=C1	REAL300020149852	1	40	-1.0	-56.81	331.31	3.02	-53.79
CCOC(=O)C1(S(C)=O)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149853	0	43	-1.0	-51.35	350.44	2.55	-48.80
CCOC(=O)C1(S(C)=O)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149853	1	43	-1.0	-51.41	350.49	2.56	-48.85
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149854	0	57	-1.0	-42.50	434.18	3.49	-39.01
CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149854	1	57	-1.0	-42.52	434.24	3.50	-39.02
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=NC(F)=C2)CC1	REAL300020149855	0	37	-1.0	-41.86	305.45	1.95	-39.91
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=NC(F)=C2)CC1	REAL300020149855	1	37	-1.0	-41.83	305.39	1.94	-39.89
O=C(CCC1=N[N-]N=N1)NC1CCC2=C1C=CC(F)=C2Br	REAL300020149856	0	33	-1.0	-39.59	306.09	4.55	-35.04
O=C(CCC1=NN=N[N-]1)NC1CCC2=C1C=CC(F)=C2Br	REAL300020149856	1	33	-1.0	-39.62	306.15	4.57	-35.05
O=C(CCC1=NN=N[N-]1)NC1=NC=C(C2CCOCC2)S1	REAL300020149857	0	36	-1.0	-43.40	314.03	2.86	-40.54
O=C(CCC1=N[N-]N=N1)NC1=NC=C(C2CCOCC2)S1	REAL300020149857	1	36	-1.0	-43.38	313.97	2.84	-40.54
O=C(CCC1=NN=N[N-]1)NC1=NN=C2C=CC(Br)=CN21	REAL300020149858	0	28	-1.0	-47.60	276.51	6.15	-41.45
O=C(CCC1=N[N-]N=N1)NC1=NN=C2C=CC(Br)=CN21	REAL300020149858	1	28	-1.0	-47.61	276.45	6.13	-41.48
CC(C)(C)CCC(NC(=O)CCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020149859	0	52	-1.0	-39.05	397.01	5.71	-33.34
CC(C)(C)CCC(NC(=O)CCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020149859	1	52	-1.0	-39.09	397.07	5.73	-33.36
CN(C(=O)CCC1=N[N-]N=N1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300020149860	0	38	-1.0	-45.86	327.87	7.02	-38.84
CN(C(=O)CCC1=NN=N[N-]1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300020149860	1	38	-1.0	-45.88	327.93	7.04	-38.84
O=C(CCC1=N[N-]N=N1)NNC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300020149861	0	30	-1.0	-42.56	288.09	3.49	-39.07
O=C(CCC1=NN=N[N-]1)NNC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300020149861	1	30	-1.0	-42.57	288.15	3.50	-39.07
COCCOC1(CNC(=O)CCC2=N[N-]N=N2)CCOCC1	REAL300020149862	0	44	-1.0	-39.89	349.42	-0.14	-40.03
COCCOC1(CNC(=O)CCC2=NN=N[N-]2)CCOCC1	REAL300020149862	1	44	-1.0	-39.87	349.48	-0.13	-40.00
O=C(CCC1=N[N-]N=N1)NCC1=CC(Br)=NO1	REAL300020149863	0	25	-1.0	-39.05	254.29	0.75	-38.30
O=C(CCC1=NN=N[N-]1)NCC1=CC(Br)=NO1	REAL300020149863	1	25	-1.0	-39.06	254.35	0.77	-38.29
CC(C)(C)OC(=O)NCC(O)CNC(=O)CCC1=N[N-]N=N1	REAL300020149864	0	43	-1.0	-43.36	356.28	-3.01	-46.37
CC(C)(C)OC(=O)NCC(O)CNC(=O)CCC1=NN=N[N-]1	REAL300020149864	1	43	-1.0	-43.36	356.34	-3.00	-46.36
CC(CO)N1C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2N=C1C(F)(F)F	REAL300020149865	0	42	-1.0	-40.70	363.75	1.92	-38.78
CC(CO)N1C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2N=C1C(F)(F)F	REAL300020149865	1	42	-1.0	-40.72	363.70	1.90	-38.82
CN(C)C1=NC=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020149866	0	39	-1.0	-41.59	329.13	3.68	-37.91
CN(C)C1=NC=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020149866	1	39	-1.0	-41.57	329.19	3.69	-37.88
CN(CC(O)CNC(=O)OC(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020149867	0	46	-1.0	-43.53	371.36	-0.26	-43.79
CN(CC(O)CNC(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020149867	1	46	-1.0	-43.52	371.42	-0.25	-43.77
C[NH+](C)CC(C)(C)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149868	0	50	0.0	-65.03	351.59	6.08	-58.95
C[NH+](C)CC(C)(C)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149868	1	50	0.0	-65.03	351.65	6.09	-58.94
O=C(CCC1=N[N-]N=N1)N1CCN2CCS(=O)(=O)CC2C1	REAL300020149869	0	38	-1.0	-47.81	311.31	-1.89	-49.70
O=C(CCC1=NN=N[N-]1)N1CCN2CCS(=O)(=O)CC2C1	REAL300020149869	1	38	-1.0	-47.81	311.37	-1.87	-49.68
O=C(CCC1=N[N-]N=N1)NC1COC2=CC=C(Br)C=C2C1=O	REAL300020149870	0	33	-1.0	-45.73	312.11	2.46	-43.27
O=C(CCC1=NN=N[N-]1)NC1COC2=CC=C(Br)C=C2C1=O	REAL300020149870	1	33	-1.0	-45.70	312.17	2.48	-43.22
O=C(CCC1=N[N-]N=N1)N1CCCN(C2=CC=CC(F)=C2F)CC1	REAL300020149871	0	41	-1.0	-40.75	334.38	5.00	-35.75
O=C(CCC1=NN=N[N-]1)N1CCCN(C2=CC=CC(F)=C2F)CC1	REAL300020149871	1	41	-1.0	-40.69	334.44	5.01	-35.68
CC1=NOC(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=N2)=N1	REAL300020149872	0	33	-1.0	-41.86	299.59	-0.00	-41.86
CC1=NOC(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=N2)=N1	REAL300020149872	1	33	-1.0	-41.89	299.65	0.01	-41.88
CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020149873	0	38	-1.0	-40.29	322.61	4.98	-35.31
CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020149873	1	38	-1.0	-40.31	322.66	5.00	-35.31
O=C(CCC1=N[N-]N=N1)NCC1=CC=NC(C(F)(F)F)=C1	REAL300020149874	0	31	-1.0	-41.05	292.97	2.04	-39.01
O=C(CCC1=NN=N[N-]1)NCC1=CC=NC(C(F)(F)F)=C1	REAL300020149874	1	31	-1.0	-41.03	293.03	2.05	-38.98
O=C(CCC1=N[N-]N=N1)NCCC1=CC=CC=C1N1CCOCC1	REAL300020149875	0	45	-1.0	-40.94	364.43	2.90	-38.04
O=C(CCC1=NN=N[N-]1)NCCC1=CC=CC=C1N1CCOCC1	REAL300020149875	1	45	-1.0	-40.93	364.49	2.91	-38.02
CC(CCO)N1C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2N=C1C(F)(F)F	REAL300020149876	0	45	-1.0	-43.42	382.73	2.52	-40.90
CC(CCO)N1C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2N=C1C(F)(F)F	REAL300020149876	1	45	-1.0	-43.44	382.67	2.50	-40.94
COC1=C(F)C(OC)=C(F)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149877	0	34	-1.0	-38.08	309.13	1.65	-36.43
COC1=C(F)C(OC)=C(F)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149877	1	34	-1.0	-38.09	309.19	1.66	-36.43
CCOC(=O)C1=CN(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)N=C1	REAL300020149878	0	45	-1.0	-44.07	373.72	5.14	-38.93
CCOC(=O)C1=CN(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)N=C1	REAL300020149878	1	45	-1.0	-44.05	373.66	5.13	-38.92
CC(C)(CC1CCCN(C(=O)CCC2=N[N-]N=N2)C1)C(N)=O	REAL300020149879	0	45	-1.0	-43.08	335.95	1.69	-41.39
CC(C)(CC1CCCN(C(=O)CCC2=NN=N[N-]2)C1)C(N)=O	REAL300020149879	1	45	-1.0	-43.05	336.00	1.70	-41.35
CN1C=C(Br)C(CNC(=O)CCC2=N[N-]N=N2)=N1	REAL300020149880	0	29	-1.0	-42.67	281.33	0.98	-41.69
CN1C=C(Br)C(CNC(=O)CCC2=NN=N[N-]2)=N1	REAL300020149880	1	29	-1.0	-42.68	281.39	0.99	-41.69
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300020149881	0	41	-1.0	-42.92	340.76	6.92	-36.00
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300020149881	1	41	-1.0	-42.93	340.81	6.94	-35.99
CCOC(=O)C1(C(=O)C2=CC=CC=C2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149882	0	50	-1.0	-43.94	391.73	7.32	-36.62
CCOC(=O)C1(C(=O)C2=CC=CC=C2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149882	1	50	-1.0	-43.99	391.78	7.34	-36.65
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(C(F)(F)F)=N1	REAL300020149883	0	31	-1.0	-43.19	292.27	1.87	-41.32
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(C(F)(F)F)=N1	REAL300020149883	1	31	-1.0	-43.19	292.33	1.88	-41.31
O=C(CCC1=N[N-]N=N1)NCCOC1=CC=C(F)C(Cl)=C1	REAL300020149884	0	33	-1.0	-40.88	310.07	2.87	-38.01
O=C(CCC1=NN=N[N-]1)NCCOC1=CC=C(F)C(Cl)=C1	REAL300020149884	1	33	-1.0	-40.89	310.13	2.89	-38.00
O=C(CCC1=N[N-]N=N1)NCC1(C2=CC=CC=C2Br)CCCCC1	REAL300020149885	0	45	-1.0	-39.93	353.88	6.36	-33.57
O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2Br)CCCCC1	REAL300020149885	1	45	-1.0	-39.92	353.93	6.37	-33.55
COC1=CC=C(N(CC2CC2)C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149886	0	40	-1.0	-40.49	334.05	5.99	-34.50
COC1=CC=C(N(CC2CC2)C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149886	1	40	-1.0	-40.50	334.11	6.00	-34.50
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC=CC(Br)=C2)C1	REAL300020149887	0	36	-1.0	-40.22	319.59	6.14	-34.08
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC=CC(Br)=C2)C1	REAL300020149887	1	36	-1.0	-40.21	319.64	6.15	-34.06
O=C(CCC1=N[N-]N=N1)NCCS(=O)(=O)C1CCOCC1	REAL300020149888	0	39	-1.0	-51.77	332.57	-1.80	-53.57
O=C(CCC1=NN=N[N-]1)NCCS(=O)(=O)C1CCOCC1	REAL300020149888	1	39	-1.0	-51.80	332.63	-1.79	-53.59
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020149889	0	52	0.0	-72.96	411.63	4.66	-68.30
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020149889	1	52	0.0	-73.02	411.69	4.67	-68.35
CN(CC1OCCC2=CC=CC=C21)C(=O)CCC1=N[N-]N=N1	REAL300020149890	0	40	-1.0	-40.82	323.13	4.96	-35.86
CN(CC1OCCC2=CC=CC=C21)C(=O)CCC1=NN=N[N-]1	REAL300020149890	1	40	-1.0	-40.81	323.19	4.97	-35.84
CC1=C(C2CCCCC2)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020149891	0	41	-1.0	-38.57	340.16	5.26	-33.31
CC1=C(C2CCCCC2)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020149891	1	41	-1.0	-38.58	340.22	5.27	-33.31
CN1C=C(C2CN(C(=O)CCC3=NN=N[N-]3)CC23CCOCC3)C=N1	REAL300020149892	0	47	-1.0	-42.74	362.47	3.27	-39.47
CN1C=C(C2CN(C(=O)CCC3=N[N-]N=N3)CC23CCOCC3)C=N1	REAL300020149892	1	47	-1.0	-42.76	362.41	3.26	-39.50
O=C(CCC1=N[N-]N=N1)NCC1=NC=C(C(F)(F)F)C=N1	REAL300020149893	0	30	-1.0	-39.66	286.63	0.84	-38.82
O=C(CCC1=NN=N[N-]1)NCC1=NC=C(C(F)(F)F)C=N1	REAL300020149893	1	30	-1.0	-39.69	286.69	0.85	-38.84
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CCC(CNC(=O)CCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020149905	1	45	-1.0	-40.36	357.89	1.22	-39.14
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CCOC1=NC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2O1	REAL300020149909	0	35	-1.0	-47.58	308.32	-0.55	-48.13
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CN(C)S(=O)(=O)C1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149920	1	40	-1.0	-45.72	353.24	0.70	-45.02
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C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCC2=N[N-]N=N2)CCC1	REAL300020149921	1	48	0.0	-59.56	366.85	5.98	-53.58
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CC1=NC=C(Br)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149925	0	28	-1.0	-38.75	265.75	2.23	-36.52
CC1=NC=C(Br)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149925	1	28	-1.0	-38.79	265.82	2.24	-36.55
COC1=CC=C2OCCN(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020149926	0	38	-1.0	-41.76	312.01	3.25	-38.51
COC1=CC=C2OCCN(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020149926	1	38	-1.0	-41.75	312.07	3.26	-38.49
COC1=CC=CC=C1C1=NN=C([N-]C(=O)CCC2=N[N-]N=N2)S1	REAL300020149927	0	34	-2.0	-101.92	317.53	2.30	-99.62
COC1=CC=CC=C1C1=NN=C([N-]C(=O)CCC2=NN=N[N-]2)S1	REAL300020149927	1	34	-2.0	-101.92	317.58	2.31	-99.61
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O=C(CCC1=NN=N[N-]1)N1CCC(C2=NC(C(F)(F)F)=CS2)CC1	REAL300020149928	1	38	-1.0	-40.64	340.23	4.47	-36.17
O=C(CCC1=N[N-]N=N1)NC(CCO)C1=CC=CC(C(F)(F)F)=C1	REAL300020149929	0	39	-1.0	-40.30	339.08	1.80	-38.50
O=C(CCC1=NN=N[N-]1)NC(CCO)C1=CC=CC(C(F)(F)F)=C1	REAL300020149929	1	39	-1.0	-40.25	339.14	1.82	-38.43
CC(C)(C)OC(=O)NCCC(NC(=O)CCC1=N[N-]N=N1)C(F)F	REAL300020149930	0	45	-1.0	-48.86	375.30	1.51	-47.35
CC(C)(C)OC(=O)NCCC(NC(=O)CCC1=NN=N[N-]1)C(F)F	REAL300020149930	1	45	-1.0	-48.89	375.36	1.52	-47.37
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O=C(CCC1=NN=N[N-]1)NC1=CC(C2CC(=O)NC(=O)C2)=CC=C1	REAL300020149931	1	39	-1.0	-46.83	332.29	1.66	-45.17
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(N2CCOC2=O)C=C1	REAL300020149932	0	41	-1.0	-48.89	343.79	3.59	-45.30
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(N2CCOC2=O)C=C1	REAL300020149932	1	41	-1.0	-48.88	343.85	3.61	-45.27
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1S(=O)(=O)C1CCCC1	REAL300020149933	0	45	-1.0	-53.15	369.40	3.63	-49.52
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1S(=O)(=O)C1CCCC1	REAL300020149933	1	45	-1.0	-53.14	369.45	3.65	-49.49
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CN(C(=O)CCC1=N[N-]N=N1)C(CO)C1=CC=C(Cl)C=C1	REAL300020149935	0	36	-1.0	-40.23	307.24	2.82	-37.41
CN(C(=O)CCC1=NN=N[N-]1)C(CO)C1=CC=C(Cl)C=C1	REAL300020149935	1	36	-1.0	-40.25	307.30	2.83	-37.42
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CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C(Br)=C1	REAL300020149937	0	32	-1.0	-39.45	302.12	4.20	-35.25
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C(Br)=C1	REAL300020149937	1	32	-1.0	-39.45	302.18	4.21	-35.24
O=C(CCC1=N[N-]N=N1)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL300020149938	0	46	0.0	-67.04	366.62	2.60	-64.44
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C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300020149940	1	39	-1.0	-42.27	336.84	4.72	-37.55
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CN(C(=O)OC(C)(C)C)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020149942	0	45	-1.0	-43.69	373.24	3.84	-39.85
CN(C(=O)OC(C)(C)C)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020149942	1	45	-1.0	-43.68	373.18	3.82	-39.86
COC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149943	0	47	-1.0	-42.20	360.70	3.33	-38.87
COC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149943	1	48	0.0	-64.40	350.87	5.07	-59.33
COC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149943	1	48	0.0	-64.93	362.28	5.52	-59.41
COC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149943	1	47	-1.0	-42.22	360.76	3.34	-38.88
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CC1COC(C2=CC=CC(C(F)(F)F)=C2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020149975	1	43	-1.0	-40.47	360.07	5.87	-34.60
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CCOC(=O)C1=CC(COC)=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149988	1	42	-1.0	-43.83	363.56	3.90	-39.93
COCC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(C(=O)OC)=C1	REAL300020149989	0	39	-1.0	-43.17	341.38	2.97	-40.20
COCC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(C(=O)OC)=C1	REAL300020149989	1	39	-1.0	-43.16	341.43	2.98	-40.18
CCN(CC(O)COC1=CC=C(CCOC)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020149990	0	53	-1.0	-45.90	432.36	3.60	-42.30
CCN(CC(O)COC1=CC=C(CCOC)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020149990	1	53	-1.0	-45.89	432.42	3.62	-42.27
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CC(C1=CC=C(F)C=C1)N1CCCC(NC(=O)CCC2=N[N-]N=N2)C1=O	REAL300020149992	0	46	-1.0	-51.27	372.93	5.06	-46.21
CC(C1=CC=C(F)C=C1)N1CCCC(NC(=O)CCC2=NN=N[N-]2)C1=O	REAL300020149992	1	46	-1.0	-51.28	372.99	5.07	-46.21
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CS(=O)(=O)CC1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020149994	0	41	-1.0	-50.50	334.38	1.06	-49.44
CS(=O)(=O)CC1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020149994	1	41	-1.0	-50.55	334.45	1.06	-49.49
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL300020149995	0	39	-1.0	-43.88	338.68	3.06	-40.82
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CN(C(=O)CCC1=N[N-]N=N1)C(C1=NC=CN1)C1=CC=CC=C1	REAL300020150085	0	39	-1.0	-45.60	325.03	4.25	-41.35
CN(C(=O)CCC1=NN=N[N-]1)C(C1=NC=CN1)C1=CC=CC=C1	REAL300020150085	1	39	-1.0	-45.56	325.08	4.27	-41.29
CCOC(=O)C1CCCC2=C1N=C(NC(=O)CCC1=N[N-]N=N1)S2	REAL300020150086	0	41	-1.0	-41.34	354.69	5.01	-36.33
CCOC(=O)C1CCCC2=C1N=C(NC(=O)CCC1=NN=N[N-]1)S2	REAL300020150086	1	41	-1.0	-41.31	354.75	5.03	-36.28
CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CCC1=N[N-]N=N1)CCO2	REAL300020150087	0	48	-1.0	-46.42	381.01	2.69	-43.73
CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CCC1=NN=N[N-]1)CCO2	REAL300020150087	1	48	-1.0	-46.44	381.06	2.71	-43.73
CCC(CC)NC1=CC=[NH+]C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020150088	0	43	0.0	-51.19	334.98	3.04	-48.15
CCC(CC)NC1=CC=[NH+]C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020150088	1	43	0.0	-51.15	334.92	3.03	-48.12
COC(=O)C1=CC=C(Br)C(NNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020150089	0	34	-1.0	-41.87	321.64	3.52	-38.35
COC(=O)C1=CC=C(Br)C(NNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020150089	1	34	-1.0	-41.87	321.70	3.54	-38.33
CNS(=O)(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020150090	0	37	-1.0	-48.58	311.84	-0.97	-49.55
CNS(=O)(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020150090	1	37	-1.0	-48.56	311.90	-0.96	-49.52
CN1C=NC(C2=CC=C(Br)C=C2)=C1NC(=O)CCC1=NN=N[N-]1	REAL300020150091	0	36	-1.0	-39.12	326.86	7.13	-31.99
CN1C=NC(C2=CC=C(Br)C=C2)=C1NC(=O)CCC1=N[N-]N=N1	REAL300020150091	1	36	-1.0	-39.08	326.80	7.12	-31.96
O=C(CCC1=N[N-]N=N1)N1CCCCCC1CC1=CC=CC=C1Cl	REAL300020150092	0	45	-1.0	-39.73	356.32	8.10	-31.63
O=C(CCC1=NN=N[N-]1)N1CCCCCC1CC1=CC=CC=C1Cl	REAL300020150092	1	45	-1.0	-39.75	356.38	8.11	-31.64
O=C(CCC1=N[N-]N=N1)N1CCCC(N2C=C(CO)N=N2)C1	REAL300020150093	0	39	-1.0	-44.86	321.06	-0.43	-45.29
O=C(CCC1=NN=N[N-]1)N1CCCC(N2C=C(CO)N=N2)C1	REAL300020150093	1	39	-1.0	-44.85	321.12	-0.42	-45.27
O=C(CCC1=N[N-]N=N1)NCC1CCN(C2=CC=CC=C2F)C1	REAL300020150094	0	41	-1.0	-43.44	340.08	3.27	-40.17
O=C(CCC1=NN=N[N-]1)NCC1CCN(C2=CC=CC=C2F)C1	REAL300020150094	1	41	-1.0	-43.45	340.14	3.29	-40.16
CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)CCC1=N[N-]N=N1	REAL300020150095	0	51	-1.0	-43.74	393.74	2.02	-41.72
CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)CCC1=NN=N[N-]1	REAL300020150095	1	51	-1.0	-43.74	393.79	2.04	-41.70
CS(=O)(=O)CC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020150096	0	38	-1.0	-55.77	314.57	1.08	-54.69
CS(=O)(=O)CC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020150096	1	38	-1.0	-55.75	314.63	1.10	-54.65
NC(=O)CCNC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020150097	0	40	-1.0	-50.53	347.32	-1.51	-52.04
NC(=O)CCNC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020150097	1	40	-1.0	-50.49	347.37	-1.49	-51.98
O=C(CCC1=N[N-]N=N1)N[C@@H]1CCCC2=C(F)C=C(F)C=C21	REAL300020150098	0	36	-1.0	-41.12	302.63	4.48	-36.64
O=C(CCC1=NN=N[N-]1)N[C@@H]1CCCC2=C(F)C=C(F)C=C21	REAL300020150098	1	36	-1.0	-41.13	302.69	4.50	-36.63
CC1(C)CN(C(=O)CCC2=N[N-]N=N2)CC(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300020150099	0	46	-1.0	-40.27	382.11	6.81	-33.46
CC1(C)CN(C(=O)CCC2=NN=N[N-]2)CC(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300020150099	1	46	-1.0	-40.31	382.17	6.82	-33.49
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CC1=CC(F)=CC=C1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020150101	0	42	-1.0	-40.61	336.61	6.91	-33.70
CC1=CC(F)=CC=C1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020150101	1	42	-1.0	-40.64	336.67	6.93	-33.71
CCOC1=CC=C(C(O)C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020150102	0	50	-1.0	-42.14	386.94	4.27	-37.87
CCOC1=CC=C(C(O)C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020150102	1	50	-1.0	-42.21	387.00	4.28	-37.93
CC(C)(C)OC(=O)N1CCC(C2CCCCN2C(=O)CCC2=N[N-]N=N2)C1	REAL300020150103	0	56	-1.0	-48.03	414.44	6.27	-41.76
CC(C)(C)OC(=O)N1CCC(C2CCCCN2C(=O)CCC2=NN=N[N-]2)C1	REAL300020150103	1	56	-1.0	-48.03	414.49	6.28	-41.75
O=C(CCC1=N[N-]N=N1)NCCC(=O)NC1=CC(Cl)=CC(Cl)=C1	REAL300020150104	0	36	-1.0	-47.65	346.33	2.72	-44.93
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CC1COCC[N@@H+]1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020150149	1	46	0.0	-61.81	334.99	3.57	-58.24
CC1COCC[N@H+]1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020150149	1	46	0.0	-61.82	334.94	3.57	-58.25
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CN(CCCCCCCCCCCO)C(=O)CCC1=NN=N[N-]1	REAL300020150278	1	53	-1.0	-41.99	420.73	5.49	-36.50
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CCS(=O)(=O)N1CCC(C(C)N(C)C(=O)CCC2=NN=N[N-]2)CC1	REAL300020150286	1	49	-1.0	-45.99	387.41	3.23	-42.76
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CC1=CC(NC(=O)CCC2=N[N-]N=N2)=NN1C1CCCCC1	REAL300020150289	0	42	-1.0	-42.42	337.06	5.23	-37.19
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=NN1C1CCCCC1	REAL300020150289	1	42	-1.0	-42.42	337.12	5.25	-37.17
COCC[N@H+](C)CCN1CC(NC(=O)CCC2=N[N-]N=N2)CC1=O	REAL300020150290	0	49	0.0	-69.65	390.84	1.93	-67.72
COCC[N@@H+](C)CCN1CC(NC(=O)CCC2=N[N-]N=N2)CC1=O	REAL300020150290	1	49	0.0	-69.19	390.97	1.92	-67.27
COCC[N@H+](C)CCN1CC(NC(=O)CCC2=NN=N[N-]2)CC1=O	REAL300020150290	1	49	0.0	-69.68	390.90	1.95	-67.73
COCC[N@@H+](C)CCN1CC(NC(=O)CCC2=NN=N[N-]2)CC1=O	REAL300020150290	1	49	0.0	-69.21	391.03	1.94	-67.27
CN(CCC[N@H+](C)CC1=CC=NC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020150291	0	46	0.0	-68.26	366.62	5.70	-62.56
CN(CCC[N@@H+](C)CC1=CC=NC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020150291	1	46	0.0	-68.57	366.62	5.70	-62.87
CN(CCC[N@H+](C)CC1=CC=NC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020150291	1	46	0.0	-68.24	366.68	5.71	-62.53
CN(CCC[N@@H+](C)CC1=CC=NC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020150291	1	46	0.0	-68.59	366.68	5.71	-62.88
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CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020150293	0	55	-1.0	-42.86	425.07	3.63	-39.23
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020150293	1	55	-1.0	-42.83	425.13	3.65	-39.18
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O=C(CCC1=N[N-]N=N1)N1CCOC(C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300020150295	0	41	-1.0	-39.67	352.54	4.02	-35.65
O=C(CCC1=NN=N[N-]1)N1CCOC(C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300020150295	1	41	-1.0	-39.65	352.60	4.04	-35.61
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1NC1=CC=C(F)C=C1	REAL300020150296	0	38	-1.0	-38.64	340.67	5.76	-32.88
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CC1(C)CCCC2=C1N=C(NC(=O)CCC1=NN=N[N-]1)S2	REAL300020150297	0	38	-1.0	-39.05	317.00	4.33	-34.72
CC1(C)CCCC2=C1N=C(NC(=O)CCC1=N[N-]N=N1)S2	REAL300020150297	1	38	-1.0	-39.06	316.94	4.32	-34.74
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CC1=C(NC(=O)CCC2=N[N-]N=N2)C=CC=C1N1C=NNC1=O	REAL300020150299	0	36	-1.0	-44.16	313.48	4.18	-39.98
CC1=C(NC(=O)CCC2=NN=N[N-]2)C=CC=C1N1C=NNC1=O	REAL300020150299	1	36	-1.0	-44.15	313.54	4.20	-39.95
COC(=O)C1=C(C(C)C)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020150300	0	37	-1.0	-45.67	332.23	3.82	-41.85
COC(=O)C1=C(C(C)C)SC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020150300	1	37	-1.0	-45.66	332.17	3.81	-41.85
CC(C)OCC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1O	REAL300020150301	0	40	-1.0	-40.95	337.16	1.39	-39.56
CC(C)OCC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1O	REAL300020150301	1	40	-1.0	-40.95	337.22	1.41	-39.54
CN(C(=O)CCC1=N[N-]N=N1)[C@H]1CC[C@@H](C(F)(F)F)CC1	REAL300020150302	0	38	-1.0	-41.21	299.25	5.12	-36.09
CN(C(=O)CCC1=NN=N[N-]1)[C@H]1CC[C@@H](C(F)(F)F)CC1	REAL300020150302	1	38	-1.0	-41.20	299.30	5.14	-36.06
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CC(C)OCC1=NC(C(C)NC(=O)CCC2=N[N-]N=N2)=NO1	REAL300020150304	0	40	-1.0	-41.53	345.12	-0.36	-41.89
CC(C)OCC1=NC(C(C)NC(=O)CCC2=NN=N[N-]2)=NO1	REAL300020150304	1	40	-1.0	-41.53	345.18	-0.35	-41.88
COC1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CC3(CC3)C2=C1	REAL300020150305	0	41	-1.0	-40.60	330.51	5.42	-35.18
COC1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CC3(CC3)C2=C1	REAL300020150305	1	41	-1.0	-40.58	330.57	5.44	-35.14
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300020150306	0	36	-1.0	-46.24	331.07	4.75	-41.49
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300020150306	1	36	-1.0	-46.22	331.02	4.74	-41.48
CNS(=O)(=O)C1=CC=C(O)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020150307	0	35	-1.0	-48.27	317.60	-3.99	-52.26
CNS(=O)(=O)C1=CC=C(O)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020150307	1	35	-1.0	-48.29	317.65	-3.98	-52.27
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020150307	1	34	-2.0	-90.45	314.03	-3.22	-93.67
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020150307	1	34	-2.0	-90.48	314.09	-3.21	-93.69
NC(=O)C1=CC=C(OCC(F)F)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020150308	0	37	-1.0	-57.96	329.62	0.05	-57.91
NC(=O)C1=CC=C(OCC(F)F)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020150308	1	37	-1.0	-57.97	329.68	0.06	-57.91
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(NS(=O)(=O)CC2=CC=CC=C2)=C1	REAL300020150309	0	44	-1.0	-54.48	390.28	3.10	-51.38
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(NS(=O)(=O)CC2=CC=CC=C2)=C1	REAL300020150309	1	44	-1.0	-54.50	390.33	3.12	-51.38
CC1CN(C2=CC=CC(F)=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020150310	0	41	-1.0	-39.68	324.77	4.41	-35.27
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CCN1N=NC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020150569	0	41	-1.0	-45.72	354.34	4.89	-40.83
CCN1N=NC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020150569	1	41	-1.0	-45.73	354.29	4.87	-40.86
CC(=O)NC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)C	REAL300020150570	0	42	-1.0	-41.94	342.54	3.31	-38.63
CC(=O)NC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)C	REAL300020150570	1	42	-1.0	-41.93	342.49	3.28	-38.65
CC(SC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150571	0	40	-1.0	-41.62	350.14	7.14	-34.48
CC(SC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150571	1	40	-1.0	-41.65	350.08	7.11	-34.54
CN(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020150572	0	43	-1.0	-45.41	368.87	6.82	-38.59
CN(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020150572	1	43	-1.0	-45.41	368.81	6.79	-38.62
CC1=CC=C(NC(=O)CSCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020150573	0	47	-1.0	-52.36	412.55	6.53	-45.83
CC1=CC=C(NC(=O)CSCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020150573	1	47	-1.0	-52.37	412.61	6.56	-45.81
CSCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020150574	0	37	-1.0	-50.77	339.46	5.61	-45.16
CSCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020150574	1	37	-1.0	-50.77	339.40	5.59	-45.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(COC2=CC=CC=C2)O1	REAL300020150575	0	44	-1.0	-44.25	384.29	6.99	-37.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(COC2=CC=CC=C2)O1	REAL300020150575	1	44	-1.0	-44.27	384.35	7.01	-37.26
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150576	0	40	-2.0	-90.91	356.14	2.64	-88.27
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150576	1	40	-2.0	-90.94	356.09	2.62	-88.32
CS(=O)(=O)NC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150576	1	41	-1.0	-59.61	356.95	2.62	-56.99
CS(=O)(=O)NC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150576	1	41	-1.0	-59.64	356.90	2.59	-57.05
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150577	0	41	-1.0	-47.93	373.40	2.00	-45.93
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150577	1	41	-1.0	-47.95	373.46	2.03	-45.92
CC1=CC=CC=C1C(=O)NC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)C	REAL300020150578	0	52	-1.0	-42.02	415.79	7.01	-35.01
CC1=CC=CC=C1C(=O)NC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)C	REAL300020150578	1	52	-1.0	-42.05	415.85	7.03	-35.02
O=C(CNS(=O)(=O)C1=CC=CC=C1F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150579	0	41	-1.0	-46.90	365.62	1.68	-45.22
O=C(CNS(=O)(=O)C1=CC=CC=C1F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150579	1	41	-1.0	-46.93	365.68	1.70	-45.23
CCC1=CC=C(C(=O)CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020150580	0	47	-1.0	-42.25	397.68	8.28	-33.97
CCC1=CC=C(C(=O)CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020150580	1	47	-1.0	-42.24	397.74	8.31	-33.93
O=C(CSC1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150581	0	37	-1.0	-42.40	331.76	6.71	-35.69
O=C(CSC1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150581	1	37	-1.0	-42.40	331.70	6.68	-35.72
COC1=CC=CC=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150582	0	40	-1.0	-43.40	341.56	5.59	-37.81
COC1=CC=CC=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150582	1	40	-1.0	-43.40	341.50	5.57	-37.83
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020150583	0	38	-1.0	-45.02	332.83	6.73	-38.29
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020150583	1	38	-1.0	-45.02	332.77	6.71	-38.31
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1C	REAL300020150584	0	44	-1.0	-52.11	366.24	4.98	-47.13
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1C	REAL300020150584	1	44	-1.0	-52.12	366.18	4.95	-47.17
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150585	0	45	-1.0	-51.16	397.83	5.32	-45.84
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150585	1	45	-1.0	-51.16	397.89	5.35	-45.81
COC1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020150586	0	47	-1.0	-53.72	393.33	6.22	-47.50
COC1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020150586	1	47	-1.0	-53.76	393.39	6.24	-47.52
O=C(CCNS(=O)(=O)C1=CC=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150587	0	41	-1.0	-48.11	381.25	1.56	-46.55
O=C(CCNS(=O)(=O)C1=CC=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150587	1	41	-1.0	-48.11	381.31	1.59	-46.52
CC1CCCCC12NC(=O)N(CC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C2=O	REAL300020150588	0	51	-1.0	-54.73	409.07	5.05	-49.68
CC1CCCCC12NC(=O)N(CC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C2=O	REAL300020150588	1	51	-1.0	-54.71	409.12	5.07	-49.64
CC1=CC=C(OC(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020150589	0	43	-1.0	-43.40	359.97	7.32	-36.08
CC1=CC=C(OC(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020150589	1	43	-1.0	-43.45	359.92	7.29	-36.16
CC1=CC=CC(OC(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020150590	0	43	-1.0	-57.91	361.30	7.30	-50.61
CC1=CC=CC(OC(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020150590	1	43	-1.0	-57.87	361.24	7.27	-50.60
CNC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020150591	0	40	-1.0	-45.51	346.28	5.23	-40.28
CNC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020150591	1	40	-1.0	-45.48	346.22	5.20	-40.28
CC(C)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020150592	0	46	-1.0	-52.21	383.27	8.67	-43.54
CC(C)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020150592	1	46	-1.0	-52.23	383.21	8.64	-43.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300020150593	0	44	-1.0	-61.75	375.47	6.05	-55.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300020150593	1	44	-1.0	-61.77	375.42	6.02	-55.75
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150594	0	41	-1.0	-47.27	358.42	1.21	-46.06
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150594	1	41	-1.0	-47.25	358.36	1.18	-46.07
NS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020150595	0	38	-1.0	-60.52	347.38	0.59	-59.93
NS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020150595	1	38	-1.0	-60.56	347.32	0.56	-60.00
O=C(CN1C(=O)CNC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150596	0	35	-1.0	-49.65	313.60	0.77	-48.88
O=C(CN1C(=O)CNC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150596	1	35	-1.0	-49.65	313.55	0.75	-48.90
O=C(C=CC1=CC=C(Br)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150597	0	34	-1.0	-45.97	334.69	6.57	-39.40
O=C(C=CC1=CC=C(Br)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150597	1	34	-1.0	-45.96	334.74	6.60	-39.36
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150598	0	41	-1.0	-49.79	373.41	2.00	-47.79
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150598	1	41	-1.0	-49.77	373.47	2.03	-47.74
O=C(CCCC1=CC=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150599	0	39	-1.0	-42.51	346.36	6.92	-35.59
O=C(CCCC1=CC=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150599	1	39	-1.0	-42.51	346.30	6.89	-35.62
O=C(CN1C=CC(C(F)(F)F)=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150600	0	36	-1.0	-50.05	334.79	4.65	-45.40
O=C(CN1C=CC(C(F)(F)F)=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150600	1	36	-1.0	-50.06	334.73	4.63	-45.43
CC1=CC=C(C)N1C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020150601	0	47	-1.0	-52.06	396.56	9.60	-42.46
CC1=CC=C(C)N1C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020150601	1	47	-1.0	-52.03	396.51	9.57	-42.46
COC1=CC=CC=C1CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150602	0	43	-1.0	-42.50	362.95	6.40	-36.10
COC1=CC=CC=C1CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150602	1	43	-1.0	-42.50	362.90	6.38	-36.12
CCC1=CC=C(N2CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2=O)C=C1	REAL300020150603	0	50	-1.0	-44.77	410.69	7.92	-36.85
CCC1=CC=C(N2CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2=O)C=C1	REAL300020150603	1	50	-1.0	-44.78	410.74	7.94	-36.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(CO)C=C1	REAL300020150604	0	37	-1.0	-43.19	321.44	2.88	-40.31
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(CO)C=C1	REAL300020150604	1	37	-1.0	-43.15	321.38	2.85	-40.30
O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150605	0	50	-1.0	-45.40	426.04	10.32	-35.08
O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150605	1	50	-1.0	-45.41	426.09	10.34	-35.07
O=C(CSCC1=CC=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150606	0	37	-1.0	-43.34	347.89	6.70	-36.64
O=C(CSCC1=CC=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150606	1	37	-1.0	-43.36	347.83	6.68	-36.68
CC1=CC=CC(N2N=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCC2=O)=C1	REAL300020150607	0	47	-1.0	-48.81	399.18	6.89	-41.92
CC1=CC=CC(N2N=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCC2=O)=C1	REAL300020150607	1	47	-1.0	-48.80	399.12	6.86	-41.94
O=C(C=CC1=CC=C(Br)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150608	0	37	-1.0	-51.39	344.36	7.35	-44.04
O=C(C=CC1=CC=C(Br)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150608	1	37	-1.0	-51.41	344.41	7.38	-44.03
O=C(CCSC1=CC=C(F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150609	0	40	-1.0	-40.86	359.77	7.54	-33.32
O=C(CCSC1=CC=C(F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150609	1	40	-1.0	-40.86	359.83	7.57	-33.29
CC1=CC=C(SCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020150610	0	40	-1.0	-42.31	353.16	7.38	-34.93
CC1=CC=C(SCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020150610	1	40	-1.0	-42.29	353.10	7.36	-34.93
CC1=CC=C(SCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020150611	0	43	-1.0	-54.20	371.66	7.95	-46.25
CC1=CC=C(SCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020150611	1	43	-1.0	-54.19	371.60	7.92	-46.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(CCCC2=O)NC1=O	REAL300020150612	0	42	-1.0	-67.99	356.41	4.33	-63.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(CCCC2=O)NC1=O	REAL300020150612	1	42	-1.0	-68.02	356.35	4.30	-63.72
CC1=CC=C2C(=O)N(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C(=O)C2=C1	REAL300020150613	0	43	-1.0	-60.12	379.82	6.10	-54.02
CC1=CC=C2C(=O)N(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C(=O)C2=C1	REAL300020150613	1	43	-1.0	-60.13	379.77	6.07	-54.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(N2C=NN=N2)C=CS1	REAL300020150614	0	35	-1.0	-69.58	322.44	5.10	-64.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(N2C=NN=N2)C=CS1	REAL300020150614	1	35	-1.0	-69.57	322.39	5.08	-64.49
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NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020150616	0	38	-1.0	-57.72	342.75	0.51	-57.21
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020150616	1	38	-1.0	-57.72	342.69	0.48	-57.24
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CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020150798	0	45	-1.0	-52.64	364.73	7.87	-44.77
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020150802	0	36	-1.0	-50.31	327.06	6.56	-43.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020150802	1	36	-1.0	-50.32	327.00	6.53	-43.79
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300020150803	1	35	-1.0	-45.97	332.03	7.29	-38.68
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O=C(C=CC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150804	1	39	-1.0	-53.94	351.24	7.40	-46.54
COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020150805	0	37	-1.0	-53.80	318.02	4.86	-48.94
COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020150805	1	37	-1.0	-53.81	317.96	4.83	-48.98
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150806	0	40	-1.0	-43.92	372.58	7.64	-36.28
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150806	1	40	-1.0	-43.96	372.64	7.67	-36.29
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COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020150809	0	41	-1.0	-43.21	347.23	4.77	-38.44
COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020150809	1	41	-1.0	-43.21	347.17	4.74	-38.47
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O=C(CC1=CC=CC(C(F)(F)F)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150812	0	39	-1.0	-42.84	351.96	7.23	-35.61
O=C(CC1=CC=CC(C(F)(F)F)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150812	1	39	-1.0	-42.86	351.91	7.20	-35.66
CCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020150813	0	39	-1.0	-53.08	331.50	6.99	-46.09
CCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020150813	1	39	-1.0	-53.05	331.44	6.96	-46.09
COC1=CC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1OC	REAL300020150814	0	51	-1.0	-45.28	426.48	6.14	-39.14
COC1=CC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1OC	REAL300020150814	1	51	-1.0	-45.27	426.54	6.16	-39.11
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CC1=CC(Cl)=CC=C1OCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150816	1	40	-1.0	-55.61	358.95	7.27	-48.34
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COC1=CC(OC)=CC(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151024	1	45	-1.0	-54.36	382.00	5.33	-49.03
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CCCCC1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151034	1	48	-1.0	-41.63	399.06	9.21	-32.42
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CC1=CC(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)N1C1=CC=CC=C1	REAL300020151037	1	51	-1.0	-46.52	431.16	10.77	-35.75
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COC1=CC=C2OC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C(C)C2=C1	REAL300020151042	0	43	-1.0	-50.46	367.16	5.93	-44.53
COC1=CC=C2OC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C(C)C2=C1	REAL300020151042	1	43	-1.0	-50.46	367.10	5.91	-44.55
CCOC1=CC=C2OC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C(C)C2=C1	REAL300020151043	0	46	-1.0	-43.65	389.01	6.86	-36.79
CCOC1=CC=C2OC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C(C)C2=C1	REAL300020151043	1	46	-1.0	-43.66	388.95	6.84	-36.82
COCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC2=CC=CC=C21	REAL300020151044	0	43	-1.0	-51.93	371.27	5.71	-46.22
COCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC2=CC=CC=C21	REAL300020151044	1	43	-1.0	-51.92	371.21	5.68	-46.24
CC(C)OCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC2=CC=CC=C21	REAL300020151045	0	49	-1.0	-52.23	413.39	7.43	-44.80
CC(C)OCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC2=CC=CC=C21	REAL300020151045	1	49	-1.0	-52.17	413.34	7.40	-44.77
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC2=CC=C(F)C=C21	REAL300020151046	0	39	-1.0	-48.16	344.11	6.71	-41.45
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC2=CC=C(F)C=C21	REAL300020151046	1	39	-1.0	-48.21	344.05	6.68	-41.53
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC2=C(F)C=CC=C12	REAL300020151047	0	39	-1.0	-49.85	344.03	6.70	-43.15
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC2=C(F)C=CC=C12	REAL300020151047	1	39	-1.0	-49.82	343.98	6.68	-43.14
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC2=CC=C(Cl)C=C21	REAL300020151048	0	39	-1.0	-47.77	354.32	7.16	-40.61
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC2=CC=C(Cl)C=C21	REAL300020151048	1	39	-1.0	-47.78	354.26	7.13	-40.65
CC(C)(C)OC(=O)N1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020151049	0	53	-1.0	-43.71	417.67	6.43	-37.28
CC(C)(C)OC(=O)N1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020151049	1	53	-1.0	-43.68	417.72	6.45	-37.23
CCC1=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C2O1	REAL300020151050	0	46	-1.0	-52.24	396.65	8.86	-43.38
CCC1=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C2O1	REAL300020151050	1	46	-1.0	-52.25	396.59	8.83	-43.42
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151051	0	46	-1.0	-45.02	393.47	8.23	-36.79
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151051	1	46	-1.0	-44.98	393.41	8.21	-36.77
CC(C)(C)OC(=O)NCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151052	0	49	-1.0	-44.29	401.17	3.77	-40.52
CC(C)(C)OC(=O)NCCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151052	1	49	-1.0	-44.29	401.23	3.79	-40.50
O=C(CCSC1=NC2=CC=CC=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151053	0	42	-1.0	-45.83	388.63	7.18	-38.65
O=C(CCSC1=NC2=CC=CC=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151053	1	42	-1.0	-45.80	388.58	7.15	-38.65
CC(=O)N1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC2=CC=CC=C21	REAL300020151054	0	45	-1.0	-46.91	375.65	6.25	-40.66
CC(=O)N1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC2=CC=CC=C21	REAL300020151054	1	45	-1.0	-46.92	375.59	6.22	-40.70
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CN=C1N1CCCC1	REAL300020151055	0	44	-1.0	-56.46	361.52	6.39	-50.07
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CN=C1N1CCCC1	REAL300020151055	1	44	-1.0	-56.43	361.46	6.37	-50.06
COC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151056	0	44	-1.0	-48.11	380.99	6.21	-41.90
COC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151056	1	44	-1.0	-48.08	380.94	6.19	-41.89
CC(C)(C)C1=CC=CC=C1OCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151057	0	49	-1.0	-56.05	393.26	8.55	-47.50
CC(C)(C)C1=CC=CC=C1OCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151057	1	49	-1.0	-56.08	393.32	8.57	-47.51
CC1=CC(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020151058	0	36	-1.0	-55.29	321.99	3.00	-52.29
CC1=CC(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NO1	REAL300020151058	1	36	-1.0	-55.31	321.93	2.98	-52.33
COC1=CC=C(OC)C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151059	0	44	-1.0	-44.81	371.03	4.87	-39.94
COC1=CC=C(OC)C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151059	1	44	-1.0	-44.77	370.97	4.84	-39.93
CC1(C)NC(=O)N(CCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1=O	REAL300020151060	0	47	-1.0	-48.73	397.99	3.33	-45.40
CC1(C)NC(=O)N(CCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1=O	REAL300020151060	1	47	-1.0	-48.78	398.05	3.35	-45.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2C=CC=C2)C=C1	REAL300020151061	0	41	-1.0	-53.30	349.33	8.33	-44.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2C=CC=C2)C=C1	REAL300020151061	1	41	-1.0	-53.30	349.28	8.30	-45.00
O=C(CN1C=CC(=O)NC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151062	0	36	-1.0	-52.26	322.12	2.10	-50.16
O=C(CN1C=CC(=O)NC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151062	1	36	-1.0	-52.26	322.07	2.08	-50.18
CC1=CC=C(C2=NC(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CS2)C=C1	REAL300020151063	0	45	-1.0	-47.18	398.30	7.88	-39.30
CC1=CC=C(C2=NC(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CS2)C=C1	REAL300020151063	1	45	-1.0	-47.14	398.24	7.85	-39.29
CC1=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C(C#N)C(=O)N1	REAL300020151064	0	46	-1.0	-53.16	389.64	5.06	-48.10
CC1=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C(C#N)C(=O)N1	REAL300020151064	1	46	-1.0	-53.18	389.70	5.09	-48.09
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CC1=CC=CC(C2=NC(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CS2)=C1	REAL300020151066	0	45	-1.0	-46.92	398.32	7.87	-39.05
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COC1=CC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1	REAL300020151067	0	47	-1.0	-43.48	393.58	5.63	-37.85
COC1=CC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1	REAL300020151067	1	47	-1.0	-43.51	393.63	5.65	-37.86
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COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C	REAL300020151069	0	40	-1.0	-41.69	338.14	5.59	-36.10
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C	REAL300020151069	1	40	-1.0	-41.69	338.08	5.57	-36.12
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CC(=O)C1=CC=C(C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)O2)C=C1	REAL300020151090	1	45	-1.0	-54.71	394.72	7.76	-46.95
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CN(C)C1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151093	0	47	-1.0	-41.88	386.14	7.45	-34.43
CN(C)C1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151093	1	47	-1.0	-41.86	386.08	7.43	-34.43
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CC1=NSC(N)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151094	1	34	-1.0	-43.21	311.81	1.58	-41.63
CC1=CC(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=N1	REAL300020151095	0	38	-1.0	-43.35	344.17	5.17	-38.18
CC1=CC(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=N1	REAL300020151095	1	38	-1.0	-43.39	344.11	5.15	-38.24
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC2=CC=CC=C21	REAL300020151096	0	39	-1.0	-49.96	337.60	6.65	-43.31
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC2=CC=CC=C21	REAL300020151096	1	39	-1.0	-49.99	337.55	6.63	-43.36
CNC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=NS1	REAL300020151097	0	37	-1.0	-50.35	334.04	2.62	-47.73
CNC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=NS1	REAL300020151097	1	37	-1.0	-50.37	333.98	2.59	-47.78
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151098	0	49	-1.0	-48.54	410.62	8.35	-40.19
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151098	1	49	-1.0	-48.52	410.57	8.32	-40.20
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151099	0	52	-1.0	-42.15	422.58	6.95	-35.20
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151099	1	52	-1.0	-42.15	422.64	6.97	-35.18
CCOC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151100	0	44	-1.0	-59.01	377.35	4.71	-54.30
CCOC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151100	1	44	-1.0	-58.97	377.29	4.69	-54.28
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=CC=C2Cl)=NO1	REAL300020151101	0	42	-1.0	-43.36	378.28	7.80	-35.56
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=CC=C2Cl)=NO1	REAL300020151101	1	42	-1.0	-43.36	378.22	7.77	-35.59
CC(=O)N1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020151102	0	43	-1.0	-47.28	350.35	4.61	-42.67
CC(=O)N1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020151102	1	43	-1.0	-47.22	350.30	4.58	-42.64
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CCS(=O)(=O)N1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020151104	0	47	-1.0	-46.05	390.44	3.08	-42.97
CCS(=O)(=O)N1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020151104	1	47	-1.0	-46.05	390.50	3.11	-42.94
O=C(CC1=CSC(N2CCCC2=O)=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151105	0	43	-1.0	-55.17	381.23	5.65	-49.52
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CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151106	0	43	-1.0	-50.31	368.95	6.86	-43.45
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151106	1	43	-1.0	-50.30	368.90	6.83	-43.47
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CC1=CC2=CC=CC=C2N1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151108	0	43	-1.0	-47.19	365.19	8.16	-39.03
CC1=CC2=CC=CC=C2N1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151108	1	43	-1.0	-47.23	365.13	8.14	-39.09
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151109	0	49	-1.0	-53.48	417.27	8.14	-45.34
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151109	1	49	-1.0	-53.46	417.21	8.12	-45.34
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151110	0	46	-1.0	-53.24	392.59	7.64	-45.60
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151110	1	46	-1.0	-53.22	392.53	7.62	-45.60
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151111	0	43	-1.0	-43.74	387.88	7.53	-36.21
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151111	1	43	-1.0	-43.71	387.83	7.51	-36.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1N1CCCC1=O	REAL300020151112	0	44	-1.0	-49.65	368.46	7.61	-42.04
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1N1CCCC1=O	REAL300020151112	1	44	-1.0	-49.66	368.40	7.59	-42.07
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCS(=O)(=O)C1	REAL300020151113	0	36	-1.0	-48.68	316.81	1.16	-47.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCS(=O)(=O)C1	REAL300020151113	1	36	-1.0	-48.69	316.75	1.14	-47.55
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C(=O)N3CCCC3=NC2=C1	REAL300020151114	1	45	-1.0	-48.18	380.44	6.84	-41.34
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CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151115	1	50	-1.0	-54.41	424.18	9.05	-45.36
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CCC1=CC=C(C2=NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CS2)C=C1	REAL300020151120	0	45	-1.0	-42.90	398.77	7.82	-35.08
CCC1=CC=C(C2=NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CS2)C=C1	REAL300020151120	1	45	-1.0	-42.89	398.71	7.79	-35.10
CCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020151121	0	36	-1.0	-51.20	324.07	6.15	-45.05
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COC(=O)C1=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC(C(C)=O)=C1C	REAL300020151133	1	48	-1.0	-49.54	416.83	5.74	-43.80
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CC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020151135	0	35	-1.0	-41.20	325.01	5.18	-36.02
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020151135	1	35	-1.0	-41.18	324.95	5.16	-36.02
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CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151137	0	48	-1.0	-48.20	394.37	9.23	-38.97
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151137	1	48	-1.0	-48.22	394.31	9.21	-39.01
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O=C(CN1C=NC2=C(C=CS2)C1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151147	1	38	-1.0	-51.58	349.37	5.82	-45.76
O=C(CCN1C=CC2=CC=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151148	0	43	-1.0	-42.08	367.44	8.23	-33.85
O=C(CCN1C=CC2=CC=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151148	1	43	-1.0	-42.08	367.38	8.21	-33.87
O=C(CC1=NOC2=CC=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151149	0	38	-1.0	-48.29	336.59	5.56	-42.73
O=C(CC1=NOC2=CC=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151149	1	38	-1.0	-48.28	336.53	5.54	-42.74
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151150	0	46	-1.0	-47.13	397.89	6.61	-40.52
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151150	1	46	-1.0	-47.15	397.95	6.63	-40.52
CCC1=C(C)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020151151	0	39	-1.0	-51.50	342.40	6.70	-44.80
CCC1=C(C)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020151151	1	39	-1.0	-51.47	342.35	6.67	-44.80
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(CCCCCC2)S1	REAL300020151152	0	46	-1.0	-51.72	369.93	8.06	-43.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(CCCCCC2)S1	REAL300020151152	1	46	-1.0	-51.72	369.87	8.04	-43.68
CCCC1=C(CC)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020151153	0	45	-1.0	-51.29	383.62	8.16	-43.13
CCCC1=C(CC)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020151153	1	45	-1.0	-51.33	383.56	8.14	-43.19
CC(C)(C)C1CCC2=C(C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)S2)C1	REAL300020151154	0	52	-1.0	-51.81	413.40	9.20	-42.61
CC(C)(C)C1CCC2=C(C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)S2)C1	REAL300020151154	1	52	-1.0	-51.83	413.45	9.23	-42.60
CC1CCC2=C(C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)S2)C1	REAL300020151155	0	43	-1.0	-51.75	365.17	7.78	-43.97
CC1CCC2=C(C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)S2)C1	REAL300020151155	1	43	-1.0	-51.81	365.11	7.76	-44.05
CCCC1=C(C)SC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151156	0	42	-1.0	-52.08	363.93	7.44	-44.64
CCCC1=C(C)SC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151156	1	42	-1.0	-52.10	363.87	7.42	-44.68
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300020151157	0	45	-1.0	-46.83	383.89	8.87	-37.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300020151157	1	45	-1.0	-46.80	383.84	8.85	-37.95
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SN=N1	REAL300020151158	0	31	-1.0	-44.23	288.85	2.73	-41.50
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SN=N1	REAL300020151158	1	31	-1.0	-44.25	288.80	2.71	-41.54
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300020151159	0	35	-1.0	-53.28	329.31	6.73	-46.55
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300020151159	1	35	-1.0	-53.28	329.25	6.71	-46.57
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300020151160	0	35	-1.0	-59.50	332.06	7.32	-52.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300020151160	1	35	-1.0	-59.49	332.01	7.30	-52.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)C2=CC=CC=C2S1	REAL300020151161	0	36	-1.0	-53.34	340.36	7.47	-45.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)C2=CC=CC=C2S1	REAL300020151161	1	36	-1.0	-53.35	340.30	7.45	-45.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)C2=CC=C(F)C=C2S1	REAL300020151162	0	36	-1.0	-50.14	346.75	7.54	-42.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)C2=CC=C(F)C=C2S1	REAL300020151162	1	36	-1.0	-50.19	346.70	7.51	-42.68
CCCCN1N=C(C)C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Cl	REAL300020151163	0	49	-1.0	-50.78	429.47	7.95	-42.83
CCCCN1N=C(C)C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020151163	1	49	-1.0	-50.75	429.53	7.98	-42.77
CN1C=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020151164	0	37	-1.0	-54.36	326.81	4.61	-49.75
CN1C=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020151164	1	37	-1.0	-54.33	326.75	4.58	-49.75
CC(=O)NC(=CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151165	0	44	-1.0	-48.52	372.03	6.71	-41.81
CC(=O)NC(=CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151165	1	44	-1.0	-48.53	371.98	6.68	-41.85
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020151166	0	43	-1.0	-43.93	375.07	7.18	-36.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020151166	1	43	-1.0	-43.93	375.01	7.16	-36.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020151167	0	40	-1.0	-43.80	349.59	6.72	-37.08
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020151167	1	40	-1.0	-43.79	349.53	6.69	-37.10
CN1C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300020151168	0	36	-1.0	-45.08	317.56	6.62	-38.46
CN1C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300020151168	1	36	-1.0	-45.09	317.50	6.60	-38.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CNC2=CC([N+](=O)[O-])=CC=C12	REAL300020151169	0	39	-1.0	-46.95	349.16	6.21	-40.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNC2=CC([N+](=O)[O-])=CC=C12	REAL300020151169	1	39	-1.0	-46.94	349.10	6.18	-40.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NC(Cl)=C1	REAL300020151170	0	32	-1.0	-40.80	300.67	4.22	-36.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NC(Cl)=C1	REAL300020151170	1	32	-1.0	-40.78	300.62	4.19	-36.59
CC1=C(C)C2=C(N=CN(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2=O)S1	REAL300020151171	0	44	-1.0	-63.13	387.22	7.23	-55.90
CC1=C(C)C2=C(N=CN(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2=O)S1	REAL300020151171	1	44	-1.0	-63.10	387.28	7.25	-55.85
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CC(=O)N1CCC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020151200	0	44	-1.0	-56.87	367.38	6.58	-50.29
CC(=O)N1CCC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020151200	1	44	-1.0	-56.89	367.33	6.56	-50.33
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CCOC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C([N+](=O)[O-])C=C1OC	REAL300020151203	0	46	-1.0	-52.20	395.46	6.95	-45.25
CCOC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C([N+](=O)[O-])C=C1OC	REAL300020151203	1	46	-1.0	-52.19	395.40	6.92	-45.27
NC(=O)N1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020151204	0	42	-1.0	-47.43	342.48	2.03	-45.40
NC(=O)N1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020151204	1	42	-1.0	-47.46	342.42	2.01	-45.45
CSCC1=NC2=CC=CC=C2N1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151205	0	46	-1.0	-57.97	404.82	8.13	-49.84
CSCC1=NC2=CC=CC=C2N1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151205	1	46	-1.0	-57.97	404.76	8.10	-49.87
CN1N=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1=O	REAL300020151206	0	37	-1.0	-47.20	320.30	2.76	-44.44
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CC1CCC2(CC1)NC(=O)N(CC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C2=O	REAL300020151207	1	51	-1.0	-47.86	409.62	4.57	-43.29
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CC1=CC=C(C2=NN(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=N2)C=C1	REAL300020151209	0	44	-1.0	-48.59	386.34	5.93	-42.66
CC1=CC=C(C2=NN(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=N2)C=C1	REAL300020151209	1	44	-1.0	-48.57	386.28	5.90	-42.67
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COC1=CC=C(Cl)C=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151211	0	40	-1.0	-42.83	358.27	6.10	-36.73
COC1=CC=C(Cl)C=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151211	1	40	-1.0	-42.82	358.22	6.08	-36.74
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NC(=O)COC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151213	0	45	-1.0	-63.27	391.07	4.14	-59.13
NC(=O)COC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151213	1	45	-1.0	-63.27	391.13	4.17	-59.10
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CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC2=C1C(=O)CC(C)(C)C2	REAL300020151222	0	49	-1.0	-61.99	394.26	6.49	-55.50
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC2=C1C(=O)CC(C)(C)C2	REAL300020151222	1	49	-1.0	-61.94	394.21	6.47	-55.47
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020151223	0	49	-1.0	-56.69	413.56	6.93	-49.76
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020151223	1	49	-1.0	-56.63	413.50	6.91	-49.72
CCC1=C(C(=O)OC)C(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020151224	0	46	-1.0	-56.11	393.11	6.04	-50.07
CCC1=C(C(=O)OC)C(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020151224	1	46	-1.0	-56.12	393.06	6.02	-50.10
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC2=C1C(=O)CCC2	REAL300020151225	0	43	-1.0	-62.84	357.42	5.58	-57.26
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC2=C1C(=O)CCC2	REAL300020151225	1	43	-1.0	-62.83	357.36	5.56	-57.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC(F)=CC=C2S1	REAL300020151226	0	36	-1.0	-40.18	334.12	7.05	-33.13
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O=C(CC1=CSC(C2=CC=CC=N2)=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151228	1	41	-1.0	-52.67	372.27	5.30	-47.37
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Br)C=C1F	REAL300020151229	0	33	-1.0	-55.82	314.46	6.26	-49.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Br)C=C1F	REAL300020151229	1	33	-1.0	-55.82	314.40	6.23	-49.59
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=CC=C1F	REAL300020151230	1	33	-1.0	-54.25	309.83	6.13	-48.12
CCCCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151231	0	45	-1.0	-40.82	374.51	8.55	-32.27
CCCCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151231	1	45	-1.0	-40.84	374.46	8.52	-32.32
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NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020151233	1	35	-1.0	-47.05	335.93	-0.54	-47.59
NC(=O)CSC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151234	0	41	-1.0	-69.62	361.81	3.48	-66.14
NC(=O)CSC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151234	1	41	-1.0	-69.53	361.75	3.46	-66.07
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2OC1	REAL300020151235	0	39	-1.0	-53.06	334.55	6.07	-46.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2OC1	REAL300020151235	1	39	-1.0	-53.04	334.49	6.04	-47.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300020151236	0	39	-1.0	-49.92	362.27	6.44	-43.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300020151236	1	39	-1.0	-49.92	362.21	6.42	-43.50
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=CN1	REAL300020151237	0	31	-1.0	-54.30	292.80	3.87	-50.43
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=CN1	REAL300020151237	1	31	-1.0	-54.29	292.74	3.85	-50.44
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC([N+](=O)[O-])=CN1	REAL300020151238	0	33	-1.0	-59.27	305.92	4.09	-55.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC([N+](=O)[O-])=CN1	REAL300020151238	1	33	-1.0	-59.26	305.86	4.06	-55.20
O=C(COC1=CC=CC(N2CCCC2=O)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151239	0	48	-1.0	-56.38	399.87	7.15	-49.23
O=C(COC1=CC=CC(N2CCCC2=O)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151239	1	48	-1.0	-56.34	399.92	7.17	-49.17
CC1=NC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151240	0	37	-1.0	-39.71	328.31	5.10	-34.61
CC1=NC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151240	1	37	-1.0	-39.72	328.25	5.07	-34.65
CCOC1=CC([N+](=O)[O-])=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020151241	0	46	-1.0	-52.30	395.46	6.94	-45.36
CCOC1=CC([N+](=O)[O-])=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020151241	1	46	-1.0	-52.26	395.40	6.91	-45.35
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1OCC1=CSC=N1	REAL300020151242	0	43	-1.0	-48.38	380.45	7.03	-41.35
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1OCC1=CSC=N1	REAL300020151242	1	43	-1.0	-48.42	380.39	7.00	-41.42
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=C(N=CN(C)C2=O)O1	REAL300020151243	0	41	-1.0	-66.34	362.26	3.86	-62.48
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=C(N=CN(C)C2=O)O1	REAL300020151243	1	41	-1.0	-66.29	362.20	3.83	-62.46
CC(C)NC(=O)NC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151244	0	48	-1.0	-51.71	396.66	5.20	-46.51
CC(C)NC(=O)NC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151244	1	48	-1.0	-51.74	396.60	5.18	-46.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Br)=CN1	REAL300020151245	0	31	-1.0	-54.25	297.42	3.98	-50.27
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Br)=CN1	REAL300020151245	1	31	-1.0	-54.16	297.37	3.95	-50.21
COC1=CC=C(C2=NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CS2)C=C1	REAL300020151246	0	43	-1.0	-51.02	385.30	5.68	-45.34
COC1=CC=C(C2=NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CS2)C=C1	REAL300020151246	1	43	-1.0	-51.03	385.25	5.66	-45.37
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C2SC=CN2C1=O	REAL300020151247	0	35	-1.0	-57.24	322.22	4.83	-52.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C2SCCN2C1=O	REAL300020151248	0	37	-1.0	-56.31	331.50	4.55	-51.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C2SCCN2C1=O	REAL300020151248	1	37	-1.0	-56.29	331.44	4.53	-51.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC(Cl)=CC=C2OC1	REAL300020151249	0	39	-1.0	-52.14	351.27	6.58	-45.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC(Cl)=CC=C2OC1	REAL300020151249	1	39	-1.0	-52.08	351.21	6.55	-45.53
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)N1CC1=CC=CC=C1	REAL300020151250	0	50	-1.0	-46.95	409.03	9.81	-37.14
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)N1CC1=CC=CC=C1	REAL300020151250	1	50	-1.0	-46.96	408.98	9.79	-37.17
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1S(N)(=O)=O	REAL300020151251	0	41	-1.0	-49.42	358.24	1.26	-48.16
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1S(N)(=O)=O	REAL300020151251	1	41	-1.0	-49.44	358.19	1.23	-48.21
CC1=NC(CSCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020151252	0	39	-1.0	-45.54	364.19	5.28	-40.26
CC1=NC(CSCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020151252	1	39	-1.0	-45.59	364.24	5.30	-40.29
CC1=C(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)O1	REAL300020151253	0	39	-1.0	-52.60	338.27	5.76	-46.84
CC1=C(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)O1	REAL300020151253	1	39	-1.0	-52.60	338.21	5.74	-46.86
O=C(CCSC1=CC=CC=C1F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151254	0	40	-1.0	-42.41	359.14	7.51	-34.90
O=C(CCSC1=CC=CC=C1F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151254	1	40	-1.0	-42.40	359.19	7.54	-34.86
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151255	0	40	-1.0	-47.24	346.50	5.41	-41.83
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151255	1	40	-1.0	-47.21	346.44	5.38	-41.83
C#CCNS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151256	0	43	-1.0	-58.16	391.74	3.07	-55.09
C#CCNS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151256	1	43	-1.0	-58.19	391.68	3.04	-55.15
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151257	0	37	-1.0	-50.19	356.59	7.79	-42.40
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151257	1	37	-1.0	-50.16	356.53	7.77	-42.39
COC1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020151258	0	43	-1.0	-53.35	370.31	6.39	-46.96
COC1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020151258	1	43	-1.0	-53.35	370.37	6.42	-46.93
O=C(CSC1=NC2=CC=CC=C2O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151259	0	39	-1.0	-45.82	357.23	3.68	-42.14
O=C(CSC1=NC2=CC=CC=C2O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151259	1	39	-1.0	-45.80	357.18	3.65	-42.15
O=C(CSC1=CC=CC=C1Cl)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151260	0	37	-1.0	-43.90	346.79	7.16	-36.74
O=C(CSC1=CC=CC=C1Cl)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151260	1	37	-1.0	-43.94	346.73	7.13	-36.81
CCOC1=CC(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1OC	REAL300020151261	0	48	-1.0	-55.54	403.55	6.86	-48.68
CCOC1=CC(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1OC	REAL300020151261	1	48	-1.0	-55.55	403.60	6.89	-48.66
COC1=CC=CC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151262	0	43	-1.0	-52.68	364.14	6.34	-46.34
COC1=CC=CC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151262	1	43	-1.0	-52.65	364.09	6.32	-46.33
O=C(COC1=CC(Cl)=CC=C1Cl)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151263	0	37	-1.0	-44.00	354.85	7.08	-36.92
O=C(COC1=CC(Cl)=CC=C1Cl)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151263	1	37	-1.0	-43.98	354.91	7.10	-36.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020151264	0	33	-1.0	-39.08	320.49	6.52	-32.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020151264	1	33	-1.0	-39.09	320.44	6.50	-32.59
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1OC	REAL300020151265	0	45	-1.0	-53.15	380.40	4.70	-48.45
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1OC	REAL300020151265	1	45	-1.0	-53.16	380.34	4.68	-48.48
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(=O)C2=CC=CC=C2O1	REAL300020151266	0	38	-1.0	-53.87	338.60	5.81	-48.06
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(=O)C2=CC=CC=C2O1	REAL300020151266	1	38	-1.0	-53.86	338.54	5.78	-48.08
COC1=CC2=CC=CC=C2C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151267	0	43	-1.0	-44.86	361.83	8.30	-36.56
COC1=CC2=CC=CC=C2C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151267	1	43	-1.0	-44.87	361.77	8.28	-36.59
O=C(COC1=CC=CC=C1C1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151268	0	47	-1.0	-45.84	400.89	9.75	-36.09
O=C(COC1=CC=CC=C1C1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151268	1	47	-1.0	-45.86	400.83	9.72	-36.14
O=C(CCOC1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151269	0	40	-1.0	-41.55	343.10	5.86	-35.69
O=C(CCOC1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151269	1	40	-1.0	-41.53	343.05	5.84	-35.69
COC1=CC2=NC(C)=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C=C1	REAL300020151270	0	45	-1.0	-46.99	375.13	5.95	-41.04
COC1=CC2=NC(C)=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C=C1	REAL300020151270	1	45	-1.0	-46.99	375.07	5.92	-41.07
COC1=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1OC	REAL300020151271	0	48	-1.0	-46.89	405.10	5.33	-41.56
COC1=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1OC	REAL300020151271	1	48	-1.0	-46.90	405.16	5.35	-41.55
CC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020151272	0	39	-1.0	-40.99	321.28	6.78	-34.21
CC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020151272	1	39	-1.0	-40.99	321.22	6.75	-34.24
CC1=CC=C(C)C(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151273	0	43	-1.0	-43.80	363.63	7.43	-36.37
CC1=CC=C(C)C(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151273	1	43	-1.0	-43.78	363.57	7.40	-36.38
CC(C)COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151274	0	46	-1.0	-53.14	381.48	7.28	-45.86
CC(C)COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151274	1	46	-1.0	-53.14	381.42	7.26	-45.88
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)N1CC(F)(F)F	REAL300020151275	0	43	-1.0	-47.45	369.58	7.27	-40.18
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)N1CC(F)(F)F	REAL300020151275	1	43	-1.0	-47.48	369.53	7.25	-40.23
O=C(CN1N=C(C2=CC=CS2)OC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151276	0	39	-1.0	-48.64	367.67	3.14	-45.50
O=C(CN1N=C(C2=CC=CS2)OC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151276	1	39	-1.0	-48.70	367.62	3.11	-45.59
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020151277	0	39	-1.0	-41.66	326.99	6.76	-34.90
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020151277	1	39	-1.0	-41.65	326.93	6.73	-34.92
O=C(CNC(=O)C1=CC=C(F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151278	0	40	-1.0	-41.85	353.98	4.12	-37.73
O=C(CNC(=O)C1=CC=C(F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151278	1	40	-1.0	-41.84	353.92	4.10	-37.74
CC(C)C(NC(=O)C1=CC=CO1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151279	0	46	-1.0	-43.93	382.82	4.40	-39.53
CC(C)C(NC(=O)C1=CC=CO1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151279	1	46	-1.0	-43.93	382.77	4.37	-39.56
COC1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151280	0	43	-1.0	-42.11	364.15	6.34	-35.77
COC1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151280	1	43	-1.0	-42.10	364.09	6.32	-35.78
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151281	0	39	-1.0	-59.72	349.26	3.09	-56.63
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151281	1	39	-1.0	-59.75	349.21	3.06	-56.69
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151282	0	46	-1.0	-43.29	394.83	8.89	-34.40
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151282	1	46	-1.0	-43.29	394.89	8.91	-34.38
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300020151283	0	38	-1.0	-40.81	335.41	6.85	-33.96
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300020151283	1	38	-1.0	-40.78	335.36	6.82	-33.96
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020151284	0	36	-1.0	-50.75	327.31	6.55	-44.20
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020151284	1	36	-1.0	-50.72	327.25	6.52	-44.20
O=C(CC1CC2CCC1C2)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151285	0	43	-1.0	-40.71	337.92	6.81	-33.90
O=C(CC1CC2CCC1C2)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151285	1	43	-1.0	-40.71	337.86	6.78	-33.93
CC1=CC=C(C(C)C)C(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151286	0	49	-1.0	-43.90	402.11	8.66	-35.24
CC1=CC=C(C(C)C)C(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151286	1	49	-1.0	-43.88	402.17	8.68	-35.20
O=C(CCOC1=CC=CC=C1F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151287	0	40	-1.0	-42.79	349.33	5.94	-36.85
O=C(CCOC1=CC=CC=C1F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151287	1	40	-1.0	-42.72	349.27	5.92	-36.80
O=C(CCC1=CC=C(Cl)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151288	0	39	-1.0	-40.66	351.38	7.56	-33.10
O=C(CCC1=CC=C(Cl)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151288	1	39	-1.0	-40.65	351.32	7.54	-33.11
N#CC1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151289	0	40	-1.0	-43.46	355.48	7.44	-36.02
N#CC1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151289	1	40	-1.0	-43.49	355.43	7.41	-36.08
O=C(CC1=CC(Cl)=C2OCCOC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151290	0	42	-1.0	-45.71	373.65	5.91	-39.80
O=C(CC1=CC(Cl)=C2OCCOC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151290	1	42	-1.0	-45.73	373.71	5.94	-39.79
O=C(CCCC1CCCCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151291	0	48	-1.0	-47.10	376.87	7.96	-39.14
O=C(CCCC1CCCCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151291	1	48	-1.0	-47.10	376.93	7.99	-39.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020151292	0	35	-1.0	-45.10	316.81	6.23	-38.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020151292	1	35	-1.0	-45.04	316.75	6.20	-38.84
COC1=CC=CC=C1OCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151293	0	44	-1.0	-43.77	372.31	5.74	-38.03
COC1=CC=CC=C1OCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151293	1	44	-1.0	-43.79	372.37	5.77	-38.02
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)N1C1CCCCC1	REAL300020151294	0	53	-1.0	-45.42	407.96	9.16	-36.26
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)N1C1CCCCC1	REAL300020151294	1	53	-1.0	-45.41	407.90	9.14	-36.27
CCN1C(C)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020151295	0	43	-1.0	-45.87	355.34	7.03	-38.84
CCN1C(C)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020151295	1	43	-1.0	-45.84	355.28	7.01	-38.83
CC1=CC=CC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151296	0	42	-1.0	-51.08	356.04	7.71	-43.37
CC1=CC=CC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151296	1	42	-1.0	-51.08	355.98	7.68	-43.40
CNS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151297	0	45	-1.0	-57.89	399.62	2.91	-54.98
CNS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151297	1	45	-1.0	-57.85	399.67	2.93	-54.92
COC(=O)C1=C(C)NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020151298	0	43	-1.0	-44.45	371.18	5.31	-39.14
COC(=O)C1=C(C)NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020151298	1	43	-1.0	-44.42	371.12	5.29	-39.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC2=C1CCCC2	REAL300020151299	0	40	-1.0	-53.53	339.57	7.11	-46.42
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC2=C1CCCC2	REAL300020151299	1	40	-1.0	-53.54	339.51	7.09	-46.45
CC(=O)NC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC1	REAL300020151300	0	46	-1.0	-54.01	364.93	5.53	-48.48
CC(=O)NC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC1	REAL300020151300	1	46	-1.0	-54.03	364.87	5.51	-48.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300020151301	0	43	-1.0	-44.84	387.62	7.64	-37.20
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300020151301	1	43	-1.0	-44.83	387.56	7.61	-37.22
CC1OC2=CC=CC=C2N(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1=O	REAL300020151302	0	48	-1.0	-53.40	400.77	6.23	-47.17
CC1OC2=CC=CC=C2N(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1=O	REAL300020151302	1	48	-1.0	-53.41	400.83	6.25	-47.16
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C#CC2=CC=CC=C2)C=C1	REAL300020151303	0	45	-1.0	-53.75	397.53	10.74	-43.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C#CC2=CC=CC=C2)C=C1	REAL300020151303	1	45	-1.0	-53.75	397.47	10.72	-43.03
CS(=O)(=O)N1CCCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151304	0	44	-1.0	-45.73	357.29	2.94	-42.79
CS(=O)(=O)N1CCCCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151304	1	44	-1.0	-45.73	357.23	2.92	-42.81
CS(=O)CC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151305	0	41	-1.0	-53.06	363.99	4.80	-48.26
CS(=O)CC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151305	1	41	-1.0	-53.03	363.94	4.78	-48.25
CC1=CC=C(NC2=CC=CC=C2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151306	0	48	-1.0	-54.60	400.36	8.86	-45.74
CC1=CC=C(NC2=CC=CC=C2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151306	1	48	-1.0	-54.58	400.31	8.84	-45.74
C=CCC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1OC	REAL300020151307	0	48	-1.0	-44.19	403.24	6.82	-37.37
C=CCC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1OC	REAL300020151307	1	48	-1.0	-44.18	403.18	6.80	-37.38
CC(C)=CC1C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1(C)C	REAL300020151308	0	46	-1.0	-41.03	368.69	7.84	-33.19
CC(C)=CC1C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1(C)C	REAL300020151308	1	46	-1.0	-41.01	368.63	7.82	-33.19
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151309	0	45	-1.0	-45.91	385.33	4.56	-41.35
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151309	1	45	-1.0	-45.93	385.38	4.59	-41.34
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(C2=CC=CC=C2)=N1	REAL300020151310	0	39	-1.0	-50.72	355.87	6.38	-44.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(C2=CC=CC=C2)=N1	REAL300020151310	1	39	-1.0	-50.70	355.81	6.35	-44.35
O=C(CC1=CSC(C2=CSC=C2)=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151311	0	39	-1.0	-46.08	367.95	6.13	-39.95
O=C(CC1=CSC(C2=CSC=C2)=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151311	1	39	-1.0	-46.07	367.89	6.10	-39.97
CN1C=C(Br)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151312	0	34	-1.0	-45.15	313.55	5.81	-39.34
CN1C=C(Br)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151312	1	34	-1.0	-45.16	313.49	5.79	-39.37
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC2=C1OC(C)C2	REAL300020151313	0	45	-1.0	-42.75	375.10	5.47	-37.28
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC2=C1OC(C)C2	REAL300020151313	1	45	-1.0	-42.73	375.04	5.44	-37.29
COCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020151314	0	37	-1.0	-50.80	328.40	3.45	-47.35
COCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020151314	1	37	-1.0	-50.81	328.35	3.43	-47.38
CN1C=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151315	0	34	-1.0	-45.18	308.92	5.71	-39.47
CN1C=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151315	1	34	-1.0	-45.19	308.87	5.69	-39.50
CC1=CC=C(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020151316	0	43	-1.0	-57.02	363.63	7.43	-49.59
CC1=CC=C(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020151316	1	43	-1.0	-57.02	363.57	7.40	-49.62
CCOC1=CC=CC=C1C=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151317	0	44	-1.0	-44.40	373.06	7.05	-37.35
CCOC1=CC=CC=C1C=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151317	1	44	-1.0	-44.41	373.01	7.02	-37.39
CC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020151318	0	40	-1.0	-53.46	358.54	7.86	-45.60
CC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020151318	1	40	-1.0	-53.45	358.48	7.83	-45.62
CC1=CC=CC(OCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151319	0	43	-1.0	-41.63	364.51	6.54	-35.09
CC1=CC=CC(OCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151319	1	43	-1.0	-41.65	364.45	6.52	-35.13
COC1=CC=C(SCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151320	0	44	-1.0	-41.89	382.84	6.77	-35.12
COC1=CC=C(SCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151320	1	44	-1.0	-41.90	382.90	6.79	-35.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300020151321	0	43	-1.0	-58.76	354.52	8.93	-49.83
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300020151321	1	43	-1.0	-58.77	354.46	8.91	-49.86
O=C(C=CC1=CC(Cl)=CC=C1Cl)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151322	0	37	-1.0	-52.76	354.11	7.70	-45.06
O=C(C=CC1=CC(Cl)=CC=C1Cl)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151322	1	37	-1.0	-52.75	354.05	7.68	-45.07
O=C(CC1=CC(F)=CC2=C1OCOC2)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151323	0	42	-1.0	-45.42	362.95	5.43	-39.99
O=C(CC1=CC(F)=CC2=C1OCOC2)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151323	1	42	-1.0	-45.42	362.90	5.41	-40.01
O=C(CCN1C=NC2=CC=CC=C2C1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151324	0	44	-1.0	-48.58	379.90	7.20	-41.38
O=C(CCN1C=NC2=CC=CC=C2C1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151324	1	44	-1.0	-48.53	379.85	7.17	-41.36
CC1=CC=CC2=C1N=CN(CCC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C2=O	REAL300020151325	0	47	-1.0	-48.27	400.06	8.03	-40.24
CC1=CC=CC2=C1N=CN(CCC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C2=O	REAL300020151325	1	47	-1.0	-48.26	400.00	8.00	-40.26
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C2C=NN(C(C)C)C2=N1	REAL300020151326	0	47	-1.0	-45.06	391.48	6.96	-38.10
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C2C=NN(C(C)C)C2=N1	REAL300020151326	1	47	-1.0	-45.09	391.42	6.94	-38.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2NC(=O)CCC2=C1	REAL300020151327	0	41	-1.0	-54.67	348.36	4.74	-49.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2NC(=O)CCC2=C1	REAL300020151327	1	41	-1.0	-54.69	348.30	4.72	-49.97
CN1C=C(S(N)(=O)=O)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151328	0	39	-1.0	-55.53	350.43	-0.11	-55.64
CN1C=C(S(N)(=O)=O)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151328	1	39	-1.0	-55.48	350.38	-0.13	-55.61
CSC1=CC=C([N+](=O)[O-])C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151329	0	39	-1.0	-62.25	355.51	7.81	-54.44
CSC1=CC=C([N+](=O)[O-])C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151329	1	39	-1.0	-62.23	355.45	7.79	-54.44
O=C(CC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151330	0	39	-1.0	-42.39	351.96	7.24	-35.15
O=C(CC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151330	1	39	-1.0	-42.40	351.91	7.21	-35.19
COC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020151331	0	41	-1.0	-52.06	368.55	6.61	-45.45
COC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020151331	1	41	-1.0	-52.01	368.49	6.59	-45.42
O=C(NC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1)C1=CC=CN=C1	REAL300020151332	0	46	-1.0	-52.12	395.45	5.81	-46.31
O=C(NC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1)C1=CC=CN=C1	REAL300020151332	1	46	-1.0	-52.13	395.40	5.78	-46.35
CC(C)(C)C(=O)N1CCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151333	0	49	-1.0	-50.16	383.51	6.04	-44.12
CC(C)(C)C(=O)N1CCCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151333	1	49	-1.0	-50.12	383.46	6.02	-44.10
CC1=NNC(=O)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020151334	0	38	-1.0	-49.03	320.76	2.62	-46.41
CC1=NNC(=O)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020151334	1	38	-1.0	-49.04	320.70	2.59	-46.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1	REAL300020151335	0	42	-1.0	-47.78	374.74	6.18	-41.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1	REAL300020151335	1	42	-1.0	-47.74	374.68	6.16	-41.58
COC1=CC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C(C)N=C2C=C1	REAL300020151336	0	45	-1.0	-44.64	375.08	5.93	-38.71
COC1=CC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C(C)N=C2C=C1	REAL300020151336	1	45	-1.0	-44.64	375.02	5.91	-38.73
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020151337	0	41	-1.0	-45.01	369.67	1.64	-43.37
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020151337	1	41	-1.0	-44.99	369.72	1.66	-43.33
CC1CN(C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=N2)CC(C)O1	REAL300020151338	0	51	-1.0	-51.34	412.66	5.25	-46.09
CC1CN(C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=N2)CC(C)O1	REAL300020151338	1	51	-1.0	-51.30	412.60	5.23	-46.07
O=C(CN1C=C(Br)C=CC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151339	0	36	-1.0	-48.05	338.64	5.42	-42.63
O=C(CN1C=C(Br)C=CC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151339	1	36	-1.0	-48.08	338.70	5.45	-42.63
CC(NS(=O)(=O)C1=CC=CS1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151340	0	41	-1.0	-43.82	378.03	1.60	-42.22
CC(NS(=O)(=O)C1=CC=CS1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151340	1	41	-1.0	-43.85	378.09	1.62	-42.23
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151341	0	43	-1.0	-56.06	380.82	3.77	-52.29
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151341	1	43	-1.0	-56.05	380.88	3.80	-52.25
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC(C2=CC=CC(Cl)=C2)=C1	REAL300020151342	0	40	-1.0	-50.30	366.49	6.04	-44.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC(C2=CC=CC(Cl)=C2)=C1	REAL300020151342	1	40	-1.0	-50.31	366.43	6.02	-44.29
O=C(CCC1=CC=CC(Cl)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151343	0	39	-1.0	-50.70	351.37	7.55	-43.15
O=C(CCC1=CC=CC(Cl)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151343	1	39	-1.0	-50.68	351.31	7.53	-43.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300020151344	0	40	-1.0	-55.67	359.45	6.26	-49.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300020151344	1	40	-1.0	-55.65	359.39	6.23	-49.42
COC1=CC=C(C(=O)NCCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151345	0	50	-1.0	-51.80	420.57	4.77	-47.03
COC1=CC=C(C(=O)NCCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151345	1	50	-1.0	-51.81	420.63	4.80	-47.01
COC1=CC=C2OCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2=C1	REAL300020151346	0	45	-1.0	-43.74	372.66	5.38	-38.36
COC1=CC=C2OCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2=C1	REAL300020151346	1	45	-1.0	-43.69	372.61	5.35	-38.34
O=C(CNS(=O)(=O)C1=CC=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151347	0	38	-1.0	-47.22	358.93	0.94	-46.28
O=C(CNS(=O)(=O)C1=CC=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151347	1	38	-1.0	-47.25	358.99	0.96	-46.29
COC1=CC(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC2=C1OCCO2	REAL300020151348	0	47	-1.0	-56.77	396.70	5.76	-51.01
COC1=CC(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC2=C1OCCO2	REAL300020151348	1	47	-1.0	-56.79	396.76	5.78	-51.01
CC1=CC(C)=NC2=NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NN21	REAL300020151349	0	40	-1.0	-60.90	352.71	6.88	-54.02
CC1=CC(C)=NC2=NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NN21	REAL300020151349	1	40	-1.0	-60.87	352.66	6.86	-54.01
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=CC=C1	REAL300020151350	0	43	-1.0	-45.83	365.68	7.18	-38.65
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=CC=C1	REAL300020151350	1	43	-1.0	-45.81	365.62	7.16	-38.65
O=C(CSC1=CC=C2OCCOC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151351	0	43	-1.0	-45.35	376.19	5.82	-39.53
O=C(CSC1=CC=C2OCCOC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151351	1	43	-1.0	-45.36	376.25	5.85	-39.51
CC1=C(C)C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2N1	REAL300020151352	0	43	-1.0	-44.48	361.28	6.77	-37.71
CC1=C(C)C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2N1	REAL300020151352	1	43	-1.0	-44.47	361.23	6.75	-37.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(N2CCOCC2)=CC=N1	REAL300020151353	0	45	-1.0	-52.73	370.10	2.68	-50.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(N2CCOCC2)=CC=N1	REAL300020151353	1	45	-1.0	-52.71	370.05	2.65	-50.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(C2=CC=CS2)=N1	REAL300020151354	0	36	-1.0	-50.70	347.49	5.40	-45.30
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(C2=CC=CS2)=N1	REAL300020151354	1	36	-1.0	-50.71	347.44	5.38	-45.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1COC1=CC=CC=C1	REAL300020151355	0	47	-1.0	-42.48	392.42	8.97	-33.51
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1COC1=CC=CC=C1	REAL300020151355	1	47	-1.0	-42.48	392.36	8.94	-33.54
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)N1C1CC1	REAL300020151356	0	44	-1.0	-43.71	364.37	7.64	-36.07
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)N1C1CC1	REAL300020151356	1	44	-1.0	-43.68	364.31	7.62	-36.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(CC2=CC=CC=C2)C(=O)C=C1	REAL300020151357	0	45	-1.0	-40.92	391.67	6.56	-34.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(CC2=CC=CC=C2)C(=O)C=C1	REAL300020151357	1	45	-1.0	-40.94	391.61	6.54	-34.40
N#CCOC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151358	0	42	-1.0	-59.50	373.76	6.76	-52.74
N#CCOC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151358	1	42	-1.0	-59.51	373.70	6.74	-52.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(CSC2=CC=CC=C2)C=CO1	REAL300020151359	0	44	-1.0	-53.74	390.91	8.47	-45.27
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(CSC2=CC=CC=C2)C=CO1	REAL300020151359	1	44	-1.0	-53.71	390.85	8.44	-45.27
CCN1C(=O)N(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C21	REAL300020151360	0	46	-1.0	-61.90	394.63	7.93	-53.97
CCN1C(=O)N(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C21	REAL300020151360	1	46	-1.0	-61.88	394.57	7.91	-53.97
CC1=NC(SCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C#N)C(C)=C1C	REAL300020151361	0	46	-1.0	-54.29	403.15	7.00	-47.29
CC1=NC(SCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C#N)C(C)=C1C	REAL300020151361	1	46	-1.0	-54.34	403.21	7.02	-47.32
CC1=CC(C)=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)NC2=C1	REAL300020151362	0	43	-1.0	-52.34	364.56	6.79	-45.55
CC1=CC(C)=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)NC2=C1	REAL300020151362	1	43	-1.0	-52.34	364.50	6.77	-45.57
NS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151363	0	42	-1.0	-58.52	377.19	1.69	-56.83
NS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151363	1	42	-1.0	-58.52	377.25	1.71	-56.81
CC1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020151364	0	42	-1.0	-50.69	370.10	8.15	-42.54
CC1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020151364	1	42	-1.0	-50.68	370.04	8.13	-42.55
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(S(N)(=O)=O)=C1C	REAL300020151365	0	44	-1.0	-49.25	375.16	1.79	-47.46
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(S(N)(=O)=O)=C1C	REAL300020151365	1	44	-1.0	-49.22	375.10	1.77	-47.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=CC(F)=C1	REAL300020151366	0	33	-1.0	-38.88	301.44	5.69	-33.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=CC(F)=C1	REAL300020151366	1	33	-1.0	-38.89	301.38	5.67	-33.22
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151367	0	44	-1.0	-56.07	385.35	2.57	-53.50
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151367	1	44	-1.0	-56.08	385.40	2.59	-53.49
CCOC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020151368	0	44	-1.0	-42.98	369.08	5.68	-37.30
CCOC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020151368	1	44	-1.0	-42.96	369.02	5.65	-37.31
CSC1=NC(C2CC2)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C#N	REAL300020151369	0	44	-1.0	-62.49	392.51	7.20	-55.29
CSC1=NC(C2CC2)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C#N	REAL300020151369	1	44	-1.0	-62.52	392.46	7.17	-55.35
CC1=CC2=NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN2C=C1	REAL300020151370	0	39	-1.0	-53.44	340.33	6.70	-46.74
CC1=CC2=NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN2C=C1	REAL300020151370	1	39	-1.0	-53.42	340.27	6.68	-46.74
CC(=O)C1=CNC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151371	0	36	-1.0	-66.68	318.67	3.80	-62.88
CC(=O)C1=CNC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151371	1	36	-1.0	-66.69	318.61	3.77	-62.92
CCCOC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151372	0	43	-1.0	-53.16	361.37	6.59	-46.57
CCCOC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151372	1	43	-1.0	-53.17	361.32	6.57	-46.60
CCCOC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OCC	REAL300020151373	0	50	-1.0	-42.58	412.44	7.40	-35.18
CCCOC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OCC	REAL300020151373	1	50	-1.0	-42.55	412.38	7.38	-35.17
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CSCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151374	1	40	-1.0	-41.95	354.69	7.41	-34.54
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CC1=CC=C(C2=CN=C(CCC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)O2)C=C1	REAL300020151393	0	48	-1.0	-53.19	411.16	6.17	-47.02
CC1=CC=C(C2=CN=C(CCC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)O2)C=C1	REAL300020151393	1	48	-1.0	-53.21	411.22	6.20	-47.01
CC1=NN(C)C2=C1C=C(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)S2	REAL300020151394	0	39	-1.0	-52.29	352.19	5.23	-47.06
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2CCNC2=O)C=C1	REAL300020151399	1	43	-1.0	-50.09	360.83	4.26	-45.83
CC(C)N1N=CC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN=C21	REAL300020151400	0	44	-1.0	-52.24	375.69	6.27	-45.97
CC(C)N1N=CC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN=C21	REAL300020151400	1	44	-1.0	-52.27	375.63	6.24	-46.03
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CC1=NOC2=NC(C(C)C)=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C12	REAL300020151402	0	46	-1.0	-44.32	382.81	4.30	-40.02
CC1=NOC2=NC(C(C)C)=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C12	REAL300020151402	1	46	-1.0	-44.29	382.75	4.28	-40.01
CC1=NOC2=NC(C3CC3)=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C12	REAL300020151403	0	44	-1.0	-47.78	368.67	4.62	-43.16
CC1=NOC2=NC(C3CC3)=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C12	REAL300020151403	1	44	-1.0	-47.79	368.61	4.59	-43.20
COC1=CC=C(C2=NNC=C2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151404	0	44	-1.0	-48.27	373.68	4.90	-43.37
COC1=CC=C(C2=NNC=C2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151404	1	44	-1.0	-48.28	373.62	4.87	-43.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CNN=C1C1=CC=C(F)C=C1	REAL300020151405	0	40	-1.0	-47.21	350.63	5.67	-41.54
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNN=C1C1=CC=C(F)C=C1	REAL300020151405	1	40	-1.0	-47.23	350.57	5.64	-41.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CNN=C1C1=CC=C(Cl)C=C1	REAL300020151406	0	40	-1.0	-46.97	360.95	6.12	-40.85
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNN=C1C1=CC=C(Cl)C=C1	REAL300020151406	1	40	-1.0	-46.94	360.89	6.09	-40.85
CN1C=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151407	0	36	-1.0	-49.00	324.22	5.74	-43.26
CN1C=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151407	1	36	-1.0	-48.98	324.17	5.71	-43.27
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)N1	REAL300020151408	0	45	-1.0	-47.14	393.25	4.75	-42.39
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)N1	REAL300020151408	1	45	-1.0	-47.10	393.30	4.77	-42.33
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)[N-]1	REAL300020151408	1	44	-2.0	-90.71	390.02	3.61	-87.10
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)[N-]1	REAL300020151408	1	44	-2.0	-90.72	390.08	3.63	-87.09
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(NC(=O)C2CC2)S1	REAL300020151409	0	41	-1.0	-55.16	367.79	5.17	-49.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(NC(=O)C2CC2)S1	REAL300020151409	1	41	-1.0	-55.17	367.73	5.14	-50.03
CC1=CC=C(F)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151410	0	36	-1.0	-41.81	310.62	6.32	-35.49
CC1=CC=C(F)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151410	1	36	-1.0	-41.83	310.56	6.30	-35.53
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL300020151411	0	44	-1.0	-48.20	367.17	6.50	-41.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL300020151411	1	44	-1.0	-48.19	367.11	6.48	-41.71
CCOC(=O)NCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151412	0	37	-1.0	-41.70	324.58	1.28	-40.42
CCOC(=O)NCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151412	1	37	-1.0	-41.71	324.53	1.26	-40.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL300020151413	0	39	-1.0	-47.23	362.63	5.78	-41.45
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL300020151413	1	39	-1.0	-47.18	362.57	5.76	-41.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC2=CC=CC=C12	REAL300020151414	0	36	-1.0	-55.78	322.98	6.88	-48.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC2=CC=CC=C12	REAL300020151414	1	36	-1.0	-55.77	322.93	6.86	-48.91
N#CC1=CC=CC=C1C=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151415	0	38	-1.0	-63.87	341.95	6.98	-56.89
N#CC1=CC=CC=C1C=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151415	1	38	-1.0	-63.94	341.89	6.95	-56.99
CNS(=O)(=O)C1=CC=C(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151416	0	44	-1.0	-46.75	380.79	2.42	-44.33
CNS(=O)(=O)C1=CC=C(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151416	1	44	-1.0	-46.76	380.73	2.40	-44.36
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151417	0	41	-1.0	-44.51	352.10	6.71	-37.80
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151417	1	41	-1.0	-44.50	352.05	6.68	-37.82
C#CCNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151418	0	43	-1.0	-46.13	391.95	3.03	-43.10
C#CCNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151418	1	43	-1.0	-46.16	392.01	3.06	-43.10
COC1=CC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=C2C=C1	REAL300020151419	0	42	-1.0	-51.58	361.41	5.32	-46.26
COC1=CC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=C2C=C1	REAL300020151419	1	42	-1.0	-51.60	361.36	5.29	-46.31
CC1=NN(C)C(Cl)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151420	0	36	-1.0	-42.94	332.79	4.21	-38.73
CC1=NN(C)C(Cl)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151420	1	36	-1.0	-42.92	332.73	4.18	-38.74
CC1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020151421	0	45	-1.0	-40.77	371.38	8.18	-32.59
CC1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020151421	1	45	-1.0	-40.78	371.32	8.15	-32.63
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1	REAL300020151422	0	39	-1.0	-41.86	346.27	5.51	-36.35
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1	REAL300020151422	1	39	-1.0	-41.87	346.22	5.49	-36.38
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C2C=NN(C(C)C)C2=N1	REAL300020151423	0	47	-1.0	-56.34	394.89	6.81	-49.53
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C2C=NN(C(C)C)C2=N1	REAL300020151423	1	47	-1.0	-56.39	394.83	6.79	-49.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CNN=C1C1=CC=CC=C1	REAL300020151424	0	40	-1.0	-48.35	344.22	5.60	-42.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNN=C1C1=CC=CC=C1	REAL300020151424	1	40	-1.0	-48.35	344.17	5.57	-42.78
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151425	0	45	-1.0	-49.72	397.04	5.59	-44.13
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151425	1	45	-1.0	-49.70	397.09	5.61	-44.09
CC1=CC=CC(OCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020151426	0	46	-1.0	-41.87	380.14	7.13	-34.74
CC1=CC=CC(OCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020151426	1	46	-1.0	-41.91	380.20	7.16	-34.75
CS(=O)(=O)N1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020151427	0	44	-1.0	-46.62	368.97	2.20	-44.42
CS(=O)(=O)N1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020151427	1	44	-1.0	-46.61	369.03	2.23	-44.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC2=NC=CC=C12	REAL300020151428	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	REAL300020151428	1	38	-1.0	-42.88	324.14	5.90	-36.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)O1	REAL300020151429	0	30	-1.0	-46.55	289.88	4.18	-42.37
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)O1	REAL300020151429	1	30	-1.0	-46.53	289.82	4.16	-42.37
CC1=C(C=C(C#N)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C(C#N)N1C	REAL300020151430	0	43	-1.0	-50.40	385.32	7.24	-43.16
CC1=C(C=C(C#N)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C(C#N)N1C	REAL300020151430	1	43	-1.0	-50.39	385.26	7.21	-43.18
O=C(C=CC1=CC=CC2=CC=CN=C12)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151431	0	42	-1.0	-62.78	363.94	7.29	-55.49
O=C(C=CC1=CC=CC2=CC=CN=C12)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151431	1	42	-1.0	-62.78	363.88	7.26	-55.52
CC(=O)NC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151432	0	44	-1.0	-60.94	379.33	5.65	-55.29
CC(=O)NC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151432	1	44	-1.0	-60.94	379.27	5.63	-55.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=C(Cl)N1	REAL300020151433	0	31	-1.0	-38.62	309.57	4.26	-34.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=C(Cl)N1	REAL300020151433	1	31	-1.0	-38.60	309.52	4.24	-34.36
CCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=C(F)C=C1	REAL300020151434	0	46	-1.0	-44.30	392.34	7.93	-36.37
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=C(F)C=C1	REAL300020151434	1	46	-1.0	-44.27	392.28	7.91	-36.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(=O)NC2=CC(F)=CC=C21	REAL300020151435	0	41	-1.0	-47.90	355.55	4.65	-43.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(=O)NC2=CC(F)=CC=C21	REAL300020151435	1	41	-1.0	-47.92	355.50	4.62	-43.30
O=C(CCNC(=O)CC1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151436	0	46	-1.0	-50.67	394.27	5.34	-45.33
O=C(CCNC(=O)CC1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151436	1	46	-1.0	-50.68	394.33	5.36	-45.32
CCOC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151437	0	40	-1.0	-48.33	337.80	6.92	-41.41
CCOC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151437	1	40	-1.0	-48.33	337.74	6.90	-41.43
CCOC1=NC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151438	0	39	-1.0	-45.35	335.21	4.36	-40.99
CCOC1=NC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151438	1	39	-1.0	-45.31	335.16	4.33	-40.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)NC1=O	REAL300020151439	0	36	-1.0	-50.38	329.97	3.68	-46.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)NC1=O	REAL300020151439	1	36	-1.0	-50.36	329.92	3.65	-46.71
O=C(CCC1CC2=CC=CC=C2NC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151440	0	47	-1.0	-44.66	390.22	5.90	-38.76
O=C(CCC1CC2=CC=CC=C2NC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151440	1	47	-1.0	-44.71	390.27	5.93	-38.78
CC(C)(OC1=CC=C(F)C=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151441	0	43	-1.0	-41.80	355.92	6.93	-34.87
CC(C)(OC1=CC=C(F)C=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151441	1	43	-1.0	-41.79	355.86	6.90	-34.89
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC=C2)C(=O)C=C1	REAL300020151442	0	42	-1.0	-49.55	368.34	6.10	-43.45
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC=C2)C(=O)C=C1	REAL300020151442	1	42	-1.0	-49.57	368.28	6.08	-43.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CN=C1OCC(F)(F)F	REAL300020151443	0	39	-1.0	-46.48	354.78	4.82	-41.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CN=C1OCC(F)(F)F	REAL300020151443	1	39	-1.0	-46.47	354.73	4.80	-41.67
CC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1[N+](=O)[O-]	REAL300020151444	0	38	-1.0	-70.23	335.54	8.01	-62.22
CC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1[N+](=O)[O-]	REAL300020151444	1	38	-1.0	-70.26	335.48	7.98	-62.28
COC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1OC(F)F	REAL300020151445	0	41	-1.0	-58.27	355.08	6.06	-52.21
COC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1OC(F)F	REAL300020151445	1	41	-1.0	-58.25	355.03	6.03	-52.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1OC(F)F	REAL300020151446	0	37	-1.0	-47.38	325.70	6.29	-41.09
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1OC(F)F	REAL300020151446	1	37	-1.0	-47.37	325.64	6.26	-41.11
CC1=CC=CC=C1COC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151447	0	50	-1.0	-50.84	412.64	10.56	-40.28
CC1=CC=CC=C1COC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151447	1	50	-1.0	-50.85	412.58	10.54	-40.31
CS(=O)(=O)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151448	0	39	-1.0	-48.33	336.16	4.02	-44.31
CS(=O)(=O)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151448	1	39	-1.0	-48.28	336.11	3.99	-44.29
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1SC(F)F	REAL300020151449	0	37	-1.0	-42.56	333.66	6.81	-35.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1SC(F)F	REAL300020151449	1	37	-1.0	-42.55	333.60	6.78	-35.77
CC1=C(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(N2C=CC=C2)S1	REAL300020151450	0	44	-1.0	-54.26	381.85	8.59	-45.67
CC1=C(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(N2C=CC=C2)S1	REAL300020151450	1	44	-1.0	-54.28	381.80	8.57	-45.71
CCSC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151451	0	40	-1.0	-43.32	345.52	7.42	-35.90
CCSC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151451	1	40	-1.0	-43.31	345.46	7.39	-35.92
CC1=NC(COC2=CC=CC=C2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020151452	0	45	-1.0	-64.73	389.29	5.50	-59.23
CC1=NC(COC2=CC=CC=C2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NO1	REAL300020151452	1	45	-1.0	-64.76	389.24	5.48	-59.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(N2C=CC=C2)C=CS1	REAL300020151453	0	38	-1.0	-46.40	339.17	7.52	-38.88
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(N2C=CC=C2)C=CS1	REAL300020151453	1	38	-1.0	-46.42	339.11	7.50	-38.92
COC1=CC=C(F)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151454	0	37	-1.0	-53.94	322.34	6.08	-47.86
COC1=CC=C(F)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151454	1	37	-1.0	-53.94	322.29	6.06	-47.88
CC1=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C2N1	REAL300020151455	0	43	-1.0	-45.01	365.20	6.83	-38.18
CC1=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C2N1	REAL300020151455	1	43	-1.0	-44.97	365.14	6.81	-38.16
COC1=CC=C(N2N=NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2C)C=C1	REAL300020151456	0	46	-1.0	-44.76	390.41	5.02	-39.74
COC1=CC=C(N2N=NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2C)C=C1	REAL300020151456	1	46	-1.0	-44.74	390.35	4.99	-39.75
CC1=CC=C(C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NN2)C=C1	REAL300020151457	0	43	-1.0	-52.23	371.15	6.21	-46.02
CC1=CC=C(C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NN2)C=C1	REAL300020151457	1	43	-1.0	-52.21	371.09	6.19	-46.02
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC(C2=CC=C(Cl)C=C2)=C1	REAL300020151458	0	40	-1.0	-51.43	366.48	6.05	-45.38
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC(C2=CC=C(Cl)C=C2)=C1	REAL300020151458	1	40	-1.0	-51.43	366.42	6.03	-45.40
NC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151459	0	39	-1.0	-63.14	337.84	1.62	-61.52
NC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151459	1	39	-1.0	-63.13	337.79	1.60	-61.53
CCOC(=O)NCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151460	0	40	-1.0	-46.87	346.71	1.89	-44.98
CCOC(=O)NCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151460	1	40	-1.0	-46.88	346.65	1.87	-45.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300020151461	0	39	-1.0	-49.19	363.97	7.08	-42.11
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300020151461	1	39	-1.0	-49.14	363.92	7.06	-42.08
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NOC(C2=CC=CC=C2F)=C1	REAL300020151462	0	39	-1.0	-49.68	355.32	6.72	-42.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NOC(C2=CC=CC=C2F)=C1	REAL300020151462	1	39	-1.0	-49.67	355.27	6.69	-42.98
CCOC(=O)NC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)C	REAL300020151463	0	46	-1.0	-41.36	376.78	3.33	-38.03
CCOC(=O)NC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)C	REAL300020151463	1	46	-1.0	-41.33	376.72	3.31	-38.02
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(=O)NC2=CC=CC=C21	REAL300020151464	0	41	-1.0	-47.90	349.13	4.58	-43.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(=O)NC2=CC=CC=C21	REAL300020151464	1	41	-1.0	-47.92	349.07	4.56	-43.36
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020151465	0	43	-1.0	-44.02	382.68	7.70	-36.32
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020151465	1	43	-1.0	-44.03	382.62	7.68	-36.35
CC1=CC=CC(COC2=CC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=C1	REAL300020151466	0	50	-1.0	-44.41	421.27	9.50	-34.91
CC1=CC=CC(COC2=CC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=C1	REAL300020151466	1	50	-1.0	-44.36	421.21	9.48	-34.88
CC1=NN(C)C2=NC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020151467	0	41	-1.0	-43.22	355.07	5.29	-37.93
CC1=NN(C)C2=NC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020151467	1	41	-1.0	-43.22	355.01	5.27	-37.95
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151468	0	43	-1.0	-44.48	373.95	6.05	-38.43
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151468	1	43	-1.0	-44.49	374.01	6.07	-38.42
CC1=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C(C2=CC=CC=C2)O1	REAL300020151469	0	45	-1.0	-48.08	390.50	5.40	-42.68
CC1=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C(C2=CC=CC=C2)O1	REAL300020151469	1	45	-1.0	-48.06	390.44	5.37	-42.69
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(CC2=CC=CC=C2)N=N1	REAL300020151470	0	42	-1.0	-49.61	371.14	5.74	-43.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(CC2=CC=CC=C2)N=N1	REAL300020151470	1	42	-1.0	-49.66	371.08	5.71	-43.95
COC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020151471	0	43	-1.0	-43.75	377.88	6.03	-37.72
COC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NO1	REAL300020151471	1	43	-1.0	-43.78	377.82	6.01	-37.77
CC(C)C1=CC=CC(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151472	0	46	-1.0	-44.00	382.36	7.95	-36.05
CC(C)C1=CC=CC(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151472	1	46	-1.0	-44.02	382.30	7.93	-36.09
O=C(NC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151473	0	37	-1.0	-45.91	326.01	3.80	-42.11
O=C(NC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151473	1	37	-1.0	-45.92	325.95	3.78	-42.14
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C12	REAL300020151474	0	48	-1.0	-47.53	398.62	7.16	-40.37
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C12	REAL300020151474	1	48	-1.0	-47.51	398.56	7.14	-40.37
CC1=NN(C)C2=NC(C)=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C12	REAL300020151475	0	44	-1.0	-46.50	370.55	5.73	-40.77
CC1=NN(C)C2=NC(C)=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C12	REAL300020151475	1	44	-1.0	-46.46	370.49	5.71	-40.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CN=C1SC(F)F	REAL300020151476	0	36	-1.0	-44.21	332.30	5.63	-38.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CN=C1SC(F)F	REAL300020151476	1	36	-1.0	-44.20	332.25	5.61	-38.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1C(F)(F)F	REAL300020151477	0	36	-1.0	-60.06	318.78	6.59	-53.47
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1C(F)(F)F	REAL300020151477	1	36	-1.0	-60.01	318.72	6.57	-53.44
NC(=O)NC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020151478	0	45	-1.0	-45.84	374.83	2.62	-43.22
NC(=O)NC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020151478	1	45	-1.0	-45.85	374.78	2.60	-43.25
CN1C(=O)N(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C21	REAL300020151479	0	46	-1.0	-57.28	393.79	7.39	-49.89
CN1C(=O)N(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C21	REAL300020151479	1	46	-1.0	-57.34	393.85	7.41	-49.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(OC(F)F)C=CC=C2N1	REAL300020151480	0	41	-1.0	-55.63	361.72	5.08	-50.55
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(OC(F)F)C=CC=C2N1	REAL300020151480	1	41	-1.0	-55.63	361.66	5.06	-50.57
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151481	0	45	-1.0	-43.89	389.77	5.50	-38.39
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151481	1	45	-1.0	-43.86	389.82	5.52	-38.34
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC(C2=CC=C(F)C=C2)=C1	REAL300020151482	0	40	-1.0	-51.86	356.16	5.60	-46.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC(C2=CC=C(F)C=C2)=C1	REAL300020151482	1	40	-1.0	-51.85	356.10	5.58	-46.27
CC1=NOC2=NC(C)=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C12	REAL300020151483	0	40	-1.0	-45.88	344.33	3.09	-42.79
CC1=NOC2=NC(C)=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C12	REAL300020151483	1	40	-1.0	-45.89	344.27	3.07	-42.82
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(CN2C=CC=N2)C=C1	REAL300020151484	0	43	-1.0	-59.35	372.39	7.21	-52.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(CN2C=CC=N2)C=C1	REAL300020151484	1	43	-1.0	-59.34	372.33	7.18	-52.16
CC(C)(C)C(=O)NCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151485	0	48	-1.0	-45.12	394.20	4.39	-40.73
CC(C)(C)C(=O)NCCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151485	1	48	-1.0	-45.11	394.25	4.42	-40.69
NC(=O)NC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CS1	REAL300020151486	0	42	-1.0	-59.50	376.02	2.11	-57.39
NC(=O)NC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CS1	REAL300020151486	1	42	-1.0	-59.55	375.96	2.09	-57.46
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020151487	0	35	-1.0	-53.52	329.43	-1.44	-54.96
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020151487	1	35	-1.0	-53.58	329.38	-1.46	-55.04
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(C2=CC=CC(F)=C2)=NO1	REAL300020151488	0	41	-1.0	-48.35	362.74	6.85	-41.50
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(C2=CC=CC(F)=C2)=NO1	REAL300020151488	1	41	-1.0	-48.39	362.79	6.87	-41.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(CN2C=NC=N2)C=C1	REAL300020151489	0	42	-1.0	-48.45	367.16	8.64	-39.81
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(CN2C=NC=N2)C=C1	REAL300020151489	1	42	-1.0	-48.46	367.10	8.61	-39.85
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2CCOCC2)N=C1	REAL300020151490	0	45	-1.0	-51.74	370.25	3.78	-47.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2CCOCC2)N=C1	REAL300020151490	1	45	-1.0	-51.72	370.20	3.75	-47.97
CC1=CC=CC(N2CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2=O)=C1C	REAL300020151491	0	50	-1.0	-46.06	412.59	8.30	-37.76
CC1=CC=CC(N2CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2=O)=C1C	REAL300020151491	1	50	-1.0	-46.07	412.64	8.33	-37.74
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N1C(=O)OC2=CC=CC=C21	REAL300020151492	0	42	-1.0	-58.79	359.98	6.91	-51.88
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1C(=O)OC2=CC=CC=C21	REAL300020151492	1	42	-1.0	-58.77	359.93	6.89	-51.88
CC1=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)NC(=O)N1	REAL300020151493	0	42	-1.0	-50.08	359.93	1.66	-48.42
CC1=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)NC(=O)N1	REAL300020151493	1	42	-1.0	-50.09	359.99	1.69	-48.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC2=CC=CC=C2S1	REAL300020151494	0	38	-1.0	-42.86	335.92	7.09	-35.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC2=CC=CC=C2S1	REAL300020151494	1	38	-1.0	-42.85	335.86	7.07	-35.78
CC1=CC(N2C(C)=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2C)=NO1	REAL300020151495	0	46	-1.0	-47.36	390.60	8.44	-38.92
CC1=CC(N2C(C)=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2C)=NO1	REAL300020151495	1	46	-1.0	-47.38	390.54	8.42	-38.96
CN1C(=O)N(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C21	REAL300020151496	0	43	-1.0	-51.00	372.82	6.97	-44.03
CN1C(=O)N(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C21	REAL300020151496	1	43	-1.0	-50.93	372.76	6.95	-43.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(SC(F)F)C=C1	REAL300020151497	0	37	-1.0	-41.83	338.28	6.82	-35.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(SC(F)F)C=C1	REAL300020151497	1	37	-1.0	-41.86	338.22	6.79	-35.07
O=C(C=CC1=CC=CC2=CC=CC=C12)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151498	0	43	-1.0	-55.84	366.43	8.91	-46.93
O=C(C=CC1=CC=CC2=CC=CC=C12)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151498	1	43	-1.0	-55.79	366.37	8.88	-46.91
O=C(CCN1C=NC2=C(C=CS2)C1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151499	0	41	-1.0	-51.35	370.49	6.29	-45.06
O=C(CCN1C=NC2=C(C=CS2)C1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151499	1	41	-1.0	-51.40	370.43	6.27	-45.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300020151500	0	45	-1.0	-71.89	385.82	4.15	-67.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300020151500	1	45	-1.0	-71.90	385.76	4.13	-67.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(OCC(F)(F)F)N=C1	REAL300020151501	0	39	-1.0	-40.75	357.15	3.68	-37.07
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(OCC(F)(F)F)N=C1	REAL300020151501	1	39	-1.0	-40.73	357.09	3.66	-37.07
CC1=CC=C(CNC(=O)NCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151502	0	48	-1.0	-42.78	409.49	4.09	-38.69
CC1=CC=C(CNC(=O)NCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151502	1	48	-1.0	-42.77	409.55	4.11	-38.66
O=C(CNC(=O)NCC1=CC=C(F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151503	0	45	-1.0	-43.07	394.50	3.48	-39.59
O=C(CNC(=O)NCC1=CC=C(F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151503	1	45	-1.0	-43.07	394.56	3.50	-39.57
CCC(C)C1=CC=CC=C1OCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151504	0	49	-1.0	-57.82	399.16	8.64	-49.18
CCC(C)C1=CC=CC=C1OCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151504	1	49	-1.0	-57.77	399.21	8.67	-49.10
O=C(CN1C(=O)COC2=CC=C(Cl)C=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151505	0	42	-1.0	-47.01	376.42	5.47	-41.54
O=C(CN1C(=O)COC2=CC=C(Cl)C=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151505	1	42	-1.0	-47.04	376.47	5.49	-41.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2NC1=O	REAL300020151506	0	39	-1.0	-54.19	337.79	4.92	-49.27
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2NC1=O	REAL300020151506	1	39	-1.0	-54.14	337.73	4.90	-49.24
CC(C)(C)C1=CC=C(SCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151507	0	49	-1.0	-41.83	407.85	9.00	-32.83
CC(C)(C)C1=CC=C(SCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151507	1	49	-1.0	-41.88	407.90	9.03	-32.85
CC1=CC=C2CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=C1	REAL300020151508	0	41	-1.0	-42.72	357.36	7.76	-34.96
CC1=CC=C2CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=C1	REAL300020151508	1	41	-1.0	-42.72	357.31	7.73	-34.99
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151509	0	41	-1.0	-56.67	361.87	2.28	-54.39
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151509	1	41	-1.0	-56.67	361.81	2.26	-54.41
COC1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020151510	0	43	-1.0	-52.37	380.11	6.87	-45.50
COC1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020151510	1	43	-1.0	-52.35	380.17	6.89	-45.46
COC1=CC=CC=C1N1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1=O	REAL300020151511	0	48	-1.0	-50.29	404.88	6.16	-44.13
COC1=CC=CC=C1N1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1=O	REAL300020151511	1	48	-1.0	-50.34	404.93	6.18	-44.16
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2[N-]C1=S	REAL300020151512	0	41	-2.0	-80.46	369.46	5.91	-74.55
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2[N-]C1=S	REAL300020151512	1	41	-2.0	-80.47	369.40	5.89	-74.58
CC1=CC=C(C(=O)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151513	0	38	-1.0	-45.85	330.77	6.09	-39.76
CC1=CC=C(C(=O)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151513	1	38	-1.0	-45.84	330.72	6.06	-39.78
CCCC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020151514	0	39	-1.0	-52.03	336.34	4.11	-47.92
CCCC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1	REAL300020151514	1	39	-1.0	-52.02	336.29	4.08	-47.94
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151515	0	43	-1.0	-41.28	366.24	7.38	-33.90
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151515	1	43	-1.0	-41.27	366.18	7.36	-33.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1CC1=CC=CC=C1	REAL300020151516	0	46	-1.0	-41.25	382.26	9.79	-31.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1CC1=CC=CC=C1	REAL300020151516	1	46	-1.0	-41.26	382.21	9.77	-31.49
CCC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020151517	0	42	-1.0	-43.87	350.94	7.41	-36.46
CCC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020151517	1	42	-1.0	-43.85	350.88	7.38	-36.47
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C12CC3CC(CC(Cl)(C3)C1)C2	REAL300020151518	0	47	-1.0	-40.58	369.14	7.91	-32.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CC3CC(CC(Cl)(C3)C1)C2	REAL300020151518	1	47	-1.0	-40.59	369.20	7.94	-32.65
O=C(CN1N=C2C=CC=CN2C1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151519	0	39	-1.0	-53.14	346.94	5.96	-47.18
O=C(CN1N=C2C=CC=CN2C1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151519	1	39	-1.0	-53.09	346.88	5.94	-47.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(N1)SC=C2	REAL300020151520	0	34	-1.0	-51.61	312.72	4.59	-47.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(N1)SC=C2	REAL300020151520	1	34	-1.0	-51.60	312.66	4.56	-47.04
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CC(=O)C1=CN(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151534	0	39	-1.0	-46.13	336.08	5.63	-40.50
CC(=O)C1=CN(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151534	1	39	-1.0	-46.14	336.02	5.61	-40.53
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CSC1=NC=C(Cl)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020151536	1	35	-1.0	-47.86	336.50	4.67	-43.19
CC12CC3CC(C)(C1)CC(C(=O)NC1=CC=CC(CC4=N[N-]N=N4)=C1)(C3)C2	REAL300020151537	0	53	-1.0	-39.67	393.74	8.44	-31.23
CC12CC3CC(C)(C1)CC(C(=O)NC1=CC=CC(CC4=NN=N[N-]4)=C1)(C3)C2	REAL300020151537	1	53	-1.0	-39.69	393.80	8.46	-31.23
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CC1=CC=CC(C2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCC2)=C1	REAL300020151540	0	46	-1.0	-40.54	373.21	8.60	-31.94
CC1=CC=CC(C2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCC2)=C1	REAL300020151540	1	46	-1.0	-40.51	373.15	8.58	-31.93
CC1=NOC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020151541	0	37	-1.0	-47.46	326.22	2.64	-44.82
CC1=NOC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020151541	1	37	-1.0	-47.44	326.17	2.61	-44.83
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CC1=NOC(C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)=N1	REAL300020151543	0	41	-1.0	-42.13	360.69	4.93	-37.20
CC1=NOC(C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=N1	REAL300020151543	1	41	-1.0	-42.15	360.64	4.91	-37.24
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CN1N=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1N1C=CC=C1	REAL300020151545	0	41	-1.0	-45.89	350.55	6.86	-39.03
CN1N=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1N1C=CC=C1	REAL300020151545	1	41	-1.0	-45.84	350.49	6.83	-39.01
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COC1=CC(OC)=C2NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC2=C1	REAL300020151547	0	45	-1.0	-53.34	381.39	4.08	-49.26
COC1=CC(OC)=C2NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=C1	REAL300020151547	1	45	-1.0	-53.40	381.33	4.06	-49.34
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C([N+](=O)[O-])C=C1OC	REAL300020151548	0	43	-1.0	-52.80	373.61	6.03	-46.77
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C([N+](=O)[O-])C=C1OC	REAL300020151548	1	43	-1.0	-52.74	373.55	6.00	-46.74
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=CC=CC=C2)CCC1	REAL300020151549	0	43	-1.0	-40.44	351.07	7.96	-32.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC=CC=C2)CCC1	REAL300020151549	1	43	-1.0	-40.44	351.01	7.94	-32.50
O=C(CCC1=NN=C(C2=CSC=C2)O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151550	0	41	-1.0	-53.61	376.24	1.87	-51.74
O=C(CCC1=NN=C(C2=CSC=C2)O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151550	1	41	-1.0	-53.58	376.30	1.90	-51.68
CN(C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)S(C)(=O)=O	REAL300020151551	0	44	-1.0	-71.56	380.20	4.62	-66.94
CN(C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)S(C)(=O)=O	REAL300020151551	1	44	-1.0	-71.55	380.15	4.59	-66.96
CC(C)N1C=NN=C1SCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151552	0	42	-1.0	-50.46	371.94	7.28	-43.18
CC(C)N1C=NN=C1SCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151552	1	42	-1.0	-50.49	371.88	7.26	-43.23
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O=C(CSC1=NN=NN1C1CCCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151553	1	45	-1.0	-43.24	391.82	5.71	-37.53
O=C(CSC1=NN=NN1C1CC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151554	0	39	-1.0	-50.71	358.36	4.49	-46.22
O=C(CSC1=NN=NN1C1CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151554	1	39	-1.0	-50.68	358.30	4.46	-46.22
COC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020151555	0	38	-1.0	-41.93	339.05	4.40	-37.53
COC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020151555	1	38	-1.0	-41.93	338.99	4.38	-37.55
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151556	0	48	-1.0	-46.82	405.33	9.56	-37.26
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151556	1	48	-1.0	-46.84	405.27	9.54	-37.30
CC1=C(C)SC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151557	0	36	-1.0	-51.98	322.24	5.97	-46.01
CC1=C(C)SC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151557	1	36	-1.0	-51.98	322.18	5.94	-46.04
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151558	0	47	-1.0	-46.70	385.18	7.47	-39.23
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151558	1	47	-1.0	-46.73	385.12	7.45	-39.28
CCC1=NC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2N=C1CC	REAL300020151559	0	49	-1.0	-44.85	404.42	6.49	-38.36
CCC1=NC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2N=C1CC	REAL300020151559	1	49	-1.0	-44.82	404.36	6.47	-38.35
CSC1=CC=C(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151560	0	40	-1.0	-43.29	344.37	7.28	-36.01
CSC1=CC=C(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151560	1	40	-1.0	-43.26	344.32	7.25	-36.01
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CC1=C2C(=CC=C1)SC(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=C2Cl	REAL300020151562	1	39	-1.0	-53.26	354.95	7.91	-45.35
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CC1=CC=C(C)N1C1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CS1	REAL300020151564	0	44	-1.0	-46.57	376.47	8.52	-38.05
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CC1=CC=CC=C1OCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151565	0	46	-1.0	-51.09	384.64	7.36	-43.73
CC1=CC=CC=C1OCCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151565	1	46	-1.0	-51.08	384.69	7.38	-43.70
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CC1=CN2C=C(CSCC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=C2C=C1	REAL300020151568	1	46	-1.0	-50.58	406.02	8.74	-41.84
CC1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C1=NN=CN1	REAL300020151569	0	38	-1.0	-54.63	341.29	7.30	-47.33
CC1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C1=NN=CN1	REAL300020151569	1	38	-1.0	-54.60	341.23	7.28	-47.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2C=NC=N2)N=C1	REAL300020151570	0	38	-1.0	-53.19	339.01	7.41	-45.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2C=NC=N2)N=C1	REAL300020151570	1	38	-1.0	-53.18	338.96	7.38	-45.80
CC1=NOC2=NC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020151571	0	37	-1.0	-42.27	327.05	2.98	-39.29
CC1=NOC2=NC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020151571	1	37	-1.0	-42.29	326.99	2.96	-39.33
O=C(CCCOC1=CC=C(F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151572	0	43	-1.0	-43.98	370.95	6.68	-37.30
O=C(CCCOC1=CC=C(F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151572	1	43	-1.0	-43.99	371.01	6.70	-37.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCCN1C(=O)C1=CC=CS1	REAL300020151573	0	47	-1.0	-50.55	391.07	7.49	-43.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCCN1C(=O)C1=CC=CS1	REAL300020151573	1	47	-1.0	-50.55	391.13	7.51	-43.04
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1CCC1=CC=CC=C1	REAL300020151574	0	49	-1.0	-42.16	403.63	10.70	-31.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1CCC1=CC=CC=C1	REAL300020151574	1	49	-1.0	-42.13	403.57	10.67	-31.46
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300020151575	0	40	-1.0	-40.56	359.94	7.92	-32.64
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300020151575	1	40	-1.0	-40.55	359.88	7.90	-32.65
CC1=CC2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C(C)N=C2C=C1	REAL300020151576	0	44	-1.0	-54.52	367.78	7.21	-47.31
CC1=CC2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C(C)N=C2C=C1	REAL300020151576	1	44	-1.0	-54.51	367.72	7.19	-47.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CN=C1SC1=CC=CC=C1	REAL300020151577	0	43	-1.0	-44.62	381.65	8.14	-36.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CN=C1SC1=CC=CC=C1	REAL300020151577	1	43	-1.0	-44.65	381.59	8.11	-36.54
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020151578	0	42	-1.0	-41.33	344.39	7.14	-34.19
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020151578	1	42	-1.0	-41.32	344.33	7.11	-34.21
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC2CCCC(C1)C2=O	REAL300020151579	0	45	-1.0	-43.54	351.01	6.31	-37.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC2CCCC(C1)C2=O	REAL300020151579	1	45	-1.0	-43.62	350.96	6.28	-37.34
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O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151580	1	41	-2.0	-92.80	373.37	6.34	-86.46
O=C(CN1C(=O)C2=CC=CC=C2NC1=S)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151580	1	42	-1.0	-60.95	376.52	6.81	-54.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NC2=NC=NN21	REAL300020151581	0	34	-1.0	-50.71	303.60	6.85	-43.86
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NC2=NC=NN21	REAL300020151581	1	34	-1.0	-50.73	303.54	6.83	-43.90
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151582	0	45	-1.0	-43.97	388.98	6.74	-37.23
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151582	1	45	-1.0	-43.98	388.92	6.71	-37.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1N1C=NN=N1	REAL300020151583	0	38	-1.0	-54.92	334.63	5.79	-49.13
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1N1C=NN=N1	REAL300020151583	1	38	-1.0	-54.92	334.57	5.77	-49.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(CC1=CC=CC=C1)N1C=NN=N1	REAL300020151584	0	44	-1.0	-43.47	381.73	6.88	-36.59
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(CC1=CC=CC=C1)N1C=NN=N1	REAL300020151584	1	44	-1.0	-43.48	381.67	6.85	-36.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(COC2=CC=C(F)C=C2)O1	REAL300020151585	0	44	-1.0	-43.18	390.69	7.05	-36.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(COC2=CC=C(F)C=C2)O1	REAL300020151585	1	44	-1.0	-43.13	390.75	7.08	-36.05
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C1=O	REAL300020151586	0	40	-1.0	-43.90	354.48	4.84	-39.06
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C1=O	REAL300020151586	1	40	-1.0	-43.93	354.42	4.81	-39.12
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020151587	0	47	-1.0	-44.75	377.87	8.18	-36.57
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020151587	1	47	-1.0	-44.75	377.81	8.16	-36.59
CCOC1=CC=C(OC(C)(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151588	0	50	-1.0	-50.48	400.16	7.08	-43.40
CCOC1=CC=C(OC(C)(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151588	1	50	-1.0	-50.41	400.22	7.11	-43.30
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2C=CC=N2)N=C1	REAL300020151589	0	39	-1.0	-53.69	344.20	6.05	-47.64
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2C=CC=N2)N=C1	REAL300020151589	1	39	-1.0	-53.70	344.14	6.03	-47.67
COC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020151590	0	36	-1.0	-50.47	337.76	5.36	-45.11
COC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020151590	1	36	-1.0	-50.43	337.70	5.34	-45.09
CN1N=CC2=C1N=CN(CCC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C2=O	REAL300020151591	0	44	-1.0	-50.67	383.15	5.92	-44.75
CN1N=CC2=C1N=CN(CCC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C2=O	REAL300020151591	1	44	-1.0	-50.68	383.09	5.89	-44.79
CC1=NN2C(=C1)N=CC(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=C2C	REAL300020151592	0	41	-1.0	-43.82	355.64	5.37	-38.45
CC1=NN2C(=C1)N=CC(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=C2C	REAL300020151592	1	41	-1.0	-43.78	355.58	5.35	-38.43
CN1C(=O)C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN=C2N(C)C1=O	REAL300020151593	0	44	-1.0	-43.33	377.21	5.13	-38.20
CN1C(=O)C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN=C2N(C)C1=O	REAL300020151593	1	44	-1.0	-43.30	377.15	5.11	-38.19
O=C(CCCNC(=O)NC1CCCCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151594	0	54	-1.0	-46.39	434.07	4.55	-41.84
O=C(CCCNC(=O)NC1CCCCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151594	1	54	-1.0	-46.39	434.12	4.58	-41.81
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300020151595	0	39	-1.0	-47.53	345.12	2.56	-44.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300020151595	1	39	-1.0	-47.55	345.06	2.54	-45.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=C(F)C(F)=C1F	REAL300020151596	0	33	-1.0	-53.07	312.01	5.81	-47.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=C(F)C(F)=C1F	REAL300020151596	1	33	-1.0	-53.12	311.95	5.79	-47.33
CC1CCC2=C(C1)SC=C2C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151597	0	43	-1.0	-53.41	360.38	7.72	-45.69
CC1CCC2=C(C1)SC=C2C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151597	1	43	-1.0	-53.42	360.32	7.70	-45.72
CCCCC1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020151598	0	51	-1.0	-39.55	396.18	8.57	-30.98
CCCCC1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020151598	1	51	-1.0	-39.51	396.24	8.59	-30.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC1(Cl)Cl	REAL300020151599	0	30	-1.0	-40.20	296.75	5.04	-35.16
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC1(Cl)Cl	REAL300020151599	1	30	-1.0	-40.23	296.69	5.02	-35.21
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(CN2C=CC=CC2=O)O1	REAL300020151600	0	43	-1.0	-61.25	379.94	6.51	-54.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(CN2C=CC=CC2=O)O1	REAL300020151600	1	43	-1.0	-61.26	379.88	6.48	-54.78
CC(NC(=O)C(C)(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151601	0	45	-1.0	-42.12	370.14	3.83	-38.29
CC(NC(=O)C(C)(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151601	1	45	-1.0	-42.12	370.08	3.81	-38.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CCC(=O)N1CCS2	REAL300020151602	0	39	-1.0	-44.88	340.52	4.13	-40.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C12CCC(=O)N1CCS2	REAL300020151602	1	39	-1.0	-44.87	340.46	4.10	-40.77
CC1=NC(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020151603	0	35	-1.0	-50.99	314.73	4.05	-46.94
CC1=NC(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020151603	1	35	-1.0	-50.97	314.67	4.03	-46.94
CC1=NN(C)C(C)=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151604	0	42	-1.0	-46.22	355.12	5.02	-41.20
CC1=NN(C)C(C)=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151604	1	42	-1.0	-46.24	355.06	4.99	-41.25
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151605	0	45	-1.0	-60.09	381.23	8.03	-52.06
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151605	1	45	-1.0	-60.10	381.17	8.00	-52.10
O=C(CC1=CC=CC2=CC=CN=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151606	0	41	-1.0	-46.57	353.25	6.76	-39.81
O=C(CC1=CC=CC2=CC=CN=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151606	1	41	-1.0	-46.50	353.20	6.73	-39.77
O=C(COC1=CC=C2NC(=O)CCC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151607	0	45	-1.0	-47.49	381.94	5.21	-42.28
O=C(COC1=CC=C2NC(=O)CCC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151607	1	45	-1.0	-47.45	381.99	5.23	-42.22
CC1OC2=CC=CC=C2OC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151608	0	42	-1.0	-39.79	351.98	5.61	-34.18
CC1OC2=CC=CC=C2OC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151608	1	42	-1.0	-39.77	351.92	5.59	-34.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL300020151609	0	38	-1.0	-45.46	341.37	5.47	-39.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL300020151609	1	38	-1.0	-45.45	341.32	5.45	-40.00
CC(C)C1=CC=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)NC2=C1	REAL300020151610	0	46	-1.0	-51.69	382.41	7.41	-44.28
CC(C)C1=CC=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)NC2=C1	REAL300020151610	1	46	-1.0	-51.70	382.36	7.39	-44.31
O=C(CNC(=O)C1CC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151611	0	37	-1.0	-42.12	322.73	2.53	-39.59
O=C(CNC(=O)C1CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151611	1	37	-1.0	-42.13	322.67	2.50	-39.63
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC2=CC=CC=C21	REAL300020151612	0	43	-1.0	-41.63	350.09	8.02	-33.61
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC2=CC=CC=C21	REAL300020151612	1	43	-1.0	-41.65	350.03	7.99	-33.66
COC1=NC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151613	0	36	-1.0	-45.19	313.36	3.44	-41.75
COC1=NC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151613	1	36	-1.0	-45.17	313.30	3.42	-41.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC=CC(Br)=C2)CC1	REAL300020151614	0	40	-1.0	-41.25	363.29	8.01	-33.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=CC=CC(Br)=C2)CC1	REAL300020151614	1	40	-1.0	-41.27	363.35	8.04	-33.23
CC(OC1=CC=CC(F)=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151615	0	40	-1.0	-59.43	346.29	6.69	-52.74
CC(OC1=CC=CC(F)=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151615	1	40	-1.0	-59.41	346.24	6.66	-52.75
CC1=NC(C(F)(F)F)=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151616	0	38	-1.0	-40.09	340.43	5.54	-34.55
CC1=NC(C(F)(F)F)=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151616	1	38	-1.0	-40.10	340.37	5.52	-34.58
CCCCSCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151617	0	39	-1.0	-41.88	340.74	6.16	-35.72
CCCCSCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151617	1	39	-1.0	-41.86	340.69	6.14	-35.72
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151618	0	41	-1.0	-43.83	362.40	7.15	-36.68
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151618	1	41	-1.0	-43.84	362.34	7.12	-36.72
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CC(C)C(=O)N1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020151650	1	49	-1.0	-46.82	388.46	5.88	-40.94
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CC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151653	0	52	-1.0	-41.17	409.55	4.42	-36.75
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151653	1	52	-1.0	-41.18	409.61	4.45	-36.73
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151654	0	55	-1.0	-41.96	431.33	5.47	-36.49
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151654	1	55	-1.0	-41.94	431.38	5.50	-36.44
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CC1=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C(C2=CC=CS2)O1	REAL300020151657	0	42	-1.0	-47.96	380.59	4.30	-43.66
CC1=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C(C2=CC=CS2)O1	REAL300020151657	1	42	-1.0	-47.99	380.53	4.27	-43.72
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CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151659	0	46	-1.0	-42.40	377.11	3.28	-39.12
CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151659	1	46	-1.0	-42.39	377.06	3.25	-39.14
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CCCN1C(C)=CC(C=C(C#N)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020151669	1	51	-1.0	-47.03	427.06	9.10	-37.93
COC1=CC=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)NC2=C1	REAL300020151670	0	41	-1.0	-52.01	351.78	4.80	-47.21
COC1=CC=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)NC2=C1	REAL300020151670	1	41	-1.0	-51.96	351.72	4.77	-47.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC(Cl)=CC=C2N1	REAL300020151671	0	37	-1.0	-51.72	339.08	6.02	-45.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC(Cl)=CC=C2N1	REAL300020151671	1	37	-1.0	-51.75	339.02	5.99	-45.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2C=C1O	REAL300020151672	0	40	-1.0	-43.53	343.50	6.29	-37.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2C=C1O	REAL300020151672	1	40	-1.0	-43.52	343.44	6.26	-37.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300020151672	1	39	-2.0	-100.95	339.93	7.28	-93.67
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300020151672	1	39	-2.0	-100.95	339.88	7.25	-93.70
CN1N=CC2=C1N=C(CCC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)NC2=O	REAL300020151673	0	44	-1.0	-47.44	382.40	4.23	-43.21
CN1N=CC2=C1N=C(CCC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)NC2=O	REAL300020151673	1	44	-1.0	-47.42	382.46	4.25	-43.17
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCCN1C(=O)C1=CC=CC=C1	REAL300020151674	0	50	-1.0	-59.78	396.11	8.40	-51.38
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCCN1C(=O)C1=CC=CC=C1	REAL300020151674	1	50	-1.0	-59.76	396.06	8.38	-51.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Br)=CC=C1O	REAL300020151675	0	34	-1.0	-51.35	318.75	4.62	-46.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Br)=CC=C1O	REAL300020151675	1	34	-1.0	-51.34	318.69	4.60	-46.74
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Br)=CC=C1[O-]	REAL300020151675	1	33	-2.0	-114.50	315.18	5.63	-108.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Br)=CC=C1[O-]	REAL300020151675	1	33	-2.0	-114.51	315.12	5.61	-108.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=CC=C1[O-]	REAL300020151676	0	33	-2.0	-114.53	310.61	5.52	-109.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=CC=C1O	REAL300020151676	1	34	-1.0	-51.46	314.18	4.52	-46.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=CC=C1[O-]	REAL300020151676	1	33	-2.0	-114.56	310.55	5.49	-109.07
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=CC=C1O	REAL300020151676	1	34	-1.0	-51.45	314.12	4.49	-46.96
O=C(CCNC1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151677	0	41	-1.0	-42.32	348.25	5.16	-37.16
O=C(CCNC1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151677	1	41	-1.0	-42.33	348.20	5.13	-37.20
CC1=CC=CC=C1NCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151678	0	44	-1.0	-42.39	366.06	5.96	-36.43
CC1=CC=CC=C1NCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151678	1	44	-1.0	-42.37	366.01	5.93	-36.44
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CNN=C2C=C1	REAL300020151679	0	36	-1.0	-46.41	314.40	4.28	-42.13
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CNN=C2C=C1	REAL300020151679	1	36	-1.0	-46.40	314.34	4.25	-42.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=CC=C1Br	REAL300020151680	0	33	-1.0	-50.23	321.61	6.70	-43.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=CC=C1Br	REAL300020151680	1	33	-1.0	-50.24	321.55	6.67	-43.57
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(C2=CC=CO2)=N1	REAL300020151681	0	36	-1.0	-52.26	338.41	4.41	-47.85
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(C2=CC=CO2)=N1	REAL300020151681	1	36	-1.0	-52.29	338.35	4.38	-47.91
CC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1O	REAL300020151682	0	37	-1.0	-55.38	317.52	4.71	-50.67
CC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1O	REAL300020151682	1	37	-1.0	-55.38	317.46	4.68	-50.70
COC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1O	REAL300020151683	0	38	-1.0	-58.74	326.65	3.76	-54.98
COC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1O	REAL300020151683	1	38	-1.0	-58.73	326.59	3.73	-55.00
COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(O)=C1	REAL300020151684	0	38	-1.0	-55.95	326.83	3.31	-52.64
COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(O)=C1	REAL300020151684	1	38	-1.0	-55.96	326.78	3.29	-52.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1[O-]	REAL300020151685	0	33	-2.0	-117.65	310.61	5.53	-112.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1[O-]	REAL300020151685	1	33	-2.0	-117.64	310.55	5.50	-112.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1O	REAL300020151685	1	34	-1.0	-52.89	314.18	4.52	-48.37
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1O	REAL300020151685	1	34	-1.0	-52.92	314.12	4.49	-48.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([O-])C(Cl)=C1	REAL300020151686	0	33	-2.0	-81.53	312.03	4.05	-77.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([O-])C(Cl)=C1	REAL300020151686	1	33	-2.0	-81.54	311.97	4.03	-77.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(O)C(Cl)=C1	REAL300020151686	1	34	-1.0	-41.33	315.59	3.28	-38.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(O)C(Cl)=C1	REAL300020151686	1	34	-1.0	-41.33	315.54	3.25	-38.08
CC(C)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(O)C(C(C)C)=C1	REAL300020151687	0	52	-1.0	-42.05	415.88	7.88	-34.17
CC(C)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(O)C(C(C)C)=C1	REAL300020151687	1	52	-1.0	-42.04	415.82	7.85	-34.19
O=C(CC1=CN2C=CC=CC2=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151688	0	39	-1.0	-51.75	339.36	6.84	-44.91
O=C(CC1=CN2C=CC=CC2=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151688	1	39	-1.0	-51.74	339.30	6.82	-44.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC(C2CC2)=C1	REAL300020151689	0	37	-1.0	-51.68	325.30	4.15	-47.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC(C2CC2)=C1	REAL300020151689	1	37	-1.0	-51.68	325.24	4.13	-47.55
CC1=CC(C)=C2C(=C1)SC(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=C2Cl	REAL300020151690	0	42	-1.0	-52.63	376.41	8.59	-44.04
CC1=CC(C)=C2C(=C1)SC(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=C2Cl	REAL300020151690	1	42	-1.0	-52.62	376.35	8.56	-44.06
CC1=CC=C(O)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151691	0	37	-1.0	-54.80	318.85	4.67	-50.13
CC1=CC=C(O)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151691	1	37	-1.0	-54.80	318.79	4.65	-50.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(O)C2=CC=CC=C2C=C1	REAL300020151692	0	40	-1.0	-43.97	342.40	6.34	-37.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(O)C2=CC=CC=C2C=C1	REAL300020151692	1	40	-1.0	-43.93	342.34	6.31	-37.62
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020151692	1	39	-2.0	-100.00	338.84	7.34	-92.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020151692	1	39	-2.0	-99.99	338.78	7.32	-92.67
COC1=CC=C(O)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151693	0	38	-1.0	-53.81	326.92	3.28	-50.53
COC1=CC=C(O)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151693	1	38	-1.0	-53.82	326.86	3.26	-50.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020151694	0	35	-2.0	-85.33	322.03	5.27	-80.06
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020151694	1	35	-2.0	-85.31	321.98	5.25	-80.06
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1O	REAL300020151695	0	37	-1.0	-42.85	319.67	3.45	-39.40
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1O	REAL300020151695	1	37	-1.0	-42.83	319.62	3.42	-39.41
CC(OC1=CC=CC=C1F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151696	0	40	-1.0	-47.25	346.11	6.69	-40.56
CC(OC1=CC=CC=C1F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151696	1	40	-1.0	-47.26	346.05	6.67	-40.59
O=C(COC1=CC=C(F)C(Cl)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151697	0	37	-1.0	-43.13	344.68	6.59	-36.54
O=C(COC1=CC=C(F)C(Cl)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151697	1	37	-1.0	-43.11	344.74	6.62	-36.49
O=C(CCOCC(F)(F)F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151698	0	36	-1.0	-41.16	328.26	3.73	-37.43
O=C(CCOCC(F)(F)F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151698	1	36	-1.0	-41.17	328.32	3.76	-37.41
CN1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1=O	REAL300020151699	0	40	-1.0	-44.73	331.29	3.80	-40.93
CN1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1=O	REAL300020151699	1	40	-1.0	-44.73	331.23	3.78	-40.95
CNC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151700	0	44	-1.0	-59.46	379.52	5.04	-54.42
CNC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151700	1	44	-1.0	-59.46	379.47	5.02	-54.44
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N1C(=O)CCC1=O	REAL300020151701	0	39	-1.0	-54.91	331.85	4.52	-50.39
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1C(=O)CCC1=O	REAL300020151701	1	39	-1.0	-54.95	331.79	4.49	-50.46
CC(C)C1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=CC=C1	REAL300020151702	0	49	-1.0	-44.45	396.71	8.32	-36.13
CC(C)C1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=CC=C1	REAL300020151702	1	49	-1.0	-44.39	396.65	8.29	-36.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2C=CN=C2)C=C1	REAL300020151703	0	40	-1.0	-55.27	344.36	7.92	-47.35
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2C=CN=C2)C=C1	REAL300020151703	1	40	-1.0	-55.27	344.42	7.95	-47.32
CSC1=NC(C2CC2)=NC(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151704	0	45	-1.0	-51.52	396.38	6.75	-44.77
CSC1=NC(C2CC2)=NC(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151704	1	45	-1.0	-51.61	396.32	6.73	-44.88
CSC1=NC(C(C)C)=NC(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151705	0	47	-1.0	-51.21	407.34	6.27	-44.94
CSC1=NC(C(C)C)=NC(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151705	1	47	-1.0	-51.20	407.28	6.25	-44.95
NS(=O)(=O)N1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020151706	0	43	-1.0	-46.62	362.28	-0.47	-47.09
NS(=O)(=O)N1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020151706	1	43	-1.0	-46.61	362.33	-0.45	-47.06
C=CCOC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151707	0	41	-1.0	-53.52	352.78	6.38	-47.14
C=CCOC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151707	1	41	-1.0	-53.52	352.72	6.35	-47.17
C=CCOC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151708	0	41	-1.0	-58.76	350.71	7.52	-51.24
C=CCOC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151708	1	41	-1.0	-58.78	350.65	7.49	-51.29
CN1C=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC1=O	REAL300020151709	0	36	-1.0	-65.75	313.78	4.37	-61.38
CN1C=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC1=O	REAL300020151709	1	36	-1.0	-65.75	313.72	4.34	-61.41
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=C2N(C)C1=O	REAL300020151710	0	44	-1.0	-42.90	378.86	5.28	-37.62
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=C2N(C)C1=O	REAL300020151710	1	44	-1.0	-42.88	378.81	5.26	-37.62
CC1=C(C)C2=CC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2N1	REAL300020151711	0	43	-1.0	-42.86	359.68	6.98	-35.88
CC1=C(C)C2=CC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2N1	REAL300020151711	1	43	-1.0	-42.90	359.63	6.95	-35.95
NC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151712	0	37	-1.0	-50.71	323.12	2.34	-48.37
NC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151712	1	37	-1.0	-50.73	323.06	2.31	-48.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1	REAL300020151713	0	47	-1.0	-52.10	393.71	8.37	-43.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1	REAL300020151713	1	47	-1.0	-52.14	393.66	8.35	-43.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL300020151714	0	43	-1.0	-47.11	370.57	8.09	-39.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL300020151714	1	43	-1.0	-47.06	370.51	8.06	-39.00
NC(=O)COC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151715	0	41	-1.0	-53.90	356.69	2.97	-50.93
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COC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151725	0	41	-1.0	-59.40	355.49	3.79	-55.61
COC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151725	1	41	-1.0	-59.36	355.44	3.76	-55.60
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CCCS(=O)(=O)N1CCCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151727	0	47	-1.0	-54.04	393.33	4.27	-49.77
CCCS(=O)(=O)N1CCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151727	1	47	-1.0	-54.06	393.39	4.30	-49.76
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CN1C=CN=C1SCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020151730	0	44	-1.0	-52.48	399.13	7.25	-45.23
CN1C=CN=C1SCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020151730	1	44	-1.0	-52.48	399.07	7.23	-45.25
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC2=NC=CC(C)=C12	REAL300020151731	0	41	-1.0	-44.33	351.43	6.16	-38.17
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC2=NC=CC(C)=C12	REAL300020151731	1	41	-1.0	-44.34	351.38	6.14	-38.20
CC1NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN(C2=CC=CC=C2)C1=O	REAL300020151732	0	46	-1.0	-42.66	394.86	5.30	-37.36
CC1NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN(C2=CC=CC=C2)C1=O	REAL300020151732	1	46	-1.0	-42.69	394.81	5.28	-37.41
CCN1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1=O	REAL300020151733	0	40	-1.0	-47.35	337.37	4.15	-43.20
CCN1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1=O	REAL300020151733	1	40	-1.0	-47.38	337.32	4.12	-43.26
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CC1=CC=C(N2N=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C3=C2CCC3)C=C1	REAL300020151735	0	50	-1.0	-46.92	418.53	9.23	-37.69
CC1=CC=C(N2N=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C3=C2CCC3)C=C1	REAL300020151735	1	50	-1.0	-46.89	418.47	9.20	-37.69
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCN(C(=O)C2=CC=CN=C2)CC1	REAL300020151736	0	49	-1.0	-47.19	396.88	5.42	-41.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCN(C(=O)C2=CC=CN=C2)CC1	REAL300020151736	1	49	-1.0	-47.22	396.83	5.40	-41.82
CN1C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(Cl)=C1Cl	REAL300020151737	0	34	-1.0	-41.47	324.32	6.04	-35.43
CN1C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(Cl)=C1Cl	REAL300020151737	1	34	-1.0	-41.49	324.26	6.01	-35.48
CC(C)(C)C1=CC=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)NC2=C1	REAL300020151738	0	49	-1.0	-51.55	398.34	7.82	-43.73
CC(C)(C)C1=CC=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)NC2=C1	REAL300020151738	1	49	-1.0	-51.54	398.28	7.79	-43.75
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1N1C=NN=N1	REAL300020151739	0	41	-1.0	-46.68	352.38	6.46	-40.22
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1N1C=NN=N1	REAL300020151739	1	41	-1.0	-46.69	352.32	6.43	-40.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C2=CC=CN=C12	REAL300020151740	0	38	-1.0	-59.47	342.08	6.79	-52.68
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C2=CC=CN=C12	REAL300020151740	1	38	-1.0	-59.47	342.03	6.76	-52.71
CC(C)(C)C1=CC=C(C2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2)C=C1	REAL300020151741	0	52	-1.0	-42.61	419.39	9.74	-32.87
CC(C)(C)C1=CC=C(C2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2)C=C1	REAL300020151741	1	52	-1.0	-42.62	419.33	9.71	-32.91
CC(C)CN1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1=O	REAL300020151742	0	46	-1.0	-47.00	374.31	5.45	-41.55
CC(C)CN1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1=O	REAL300020151742	1	46	-1.0	-46.99	374.25	5.43	-41.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC2=C1CCCC2	REAL300020151743	0	40	-1.0	-44.18	332.76	4.42	-39.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC2=C1CCCC2	REAL300020151743	1	40	-1.0	-44.12	332.70	4.39	-39.73
O=C(CC1C2=CC=CC=C2OC2=CC=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151744	0	48	-1.0	-50.22	393.42	10.19	-40.03
O=C(CC1C2=CC=CC=C2OC2=CC=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151744	1	48	-1.0	-50.19	393.36	10.17	-40.02
O=C(COC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151745	0	39	-1.0	-49.82	350.36	6.72	-43.10
O=C(COC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151745	1	39	-1.0	-49.85	350.30	6.69	-43.16
CC1=NN(C)C2=NC(C)=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020151746	0	44	-1.0	-42.47	371.36	5.96	-36.51
CC1=NN(C)C2=NC(C)=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020151746	1	44	-1.0	-42.45	371.30	5.94	-36.51
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=C(F)C=C1	REAL300020151747	0	43	-1.0	-44.32	372.36	7.25	-37.07
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=C(F)C=C1	REAL300020151747	1	43	-1.0	-44.28	372.31	7.23	-37.05
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=COC(Br)=C1	REAL300020151748	0	30	-1.0	-41.26	293.70	4.27	-36.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=COC(Br)=C1	REAL300020151748	1	30	-1.0	-41.26	293.64	4.25	-37.01
O=C(COC1=CC=C(F)C=C1F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151749	0	37	-1.0	-61.29	334.78	6.18	-55.11
O=C(COC1=CC=C(F)C=C1F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151749	1	37	-1.0	-61.29	334.73	6.15	-55.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300020151750	0	46	-1.0	-44.28	394.63	7.06	-37.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300020151750	1	46	-1.0	-44.29	394.58	7.04	-37.25
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1OCC1=CC=NC=C1	REAL300020151751	0	46	-1.0	-61.52	392.59	8.22	-53.30
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1OCC1=CC=NC=C1	REAL300020151751	1	46	-1.0	-61.52	392.53	8.19	-53.33
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNC(=S)N1C1=CC=C(F)C=C1	REAL300020151752	1	41	-1.0	-49.64	376.39	8.11	-41.53
CC1=CC=CC=C1C(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(N)=O	REAL300020151753	0	48	-1.0	-43.66	392.17	3.03	-40.63
CC1=CC=CC=C1C(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(N)=O	REAL300020151753	1	48	-1.0	-43.68	392.12	3.00	-40.68
CC1=CC=C(OCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020151754	0	46	-1.0	-41.68	384.52	7.26	-34.42
CC1=CC=C(OCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020151754	1	46	-1.0	-41.70	384.58	7.29	-34.41
CS(=O)(=O)CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151755	0	35	-1.0	-48.47	316.85	0.82	-47.65
CS(=O)(=O)CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151755	1	35	-1.0	-48.45	316.80	0.80	-47.65
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CN1N=CC=C1C=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151757	0	37	-1.0	-52.83	324.91	4.40	-48.43
CN1N=CC=C1C=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151757	1	37	-1.0	-52.86	324.85	4.37	-48.49
CCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=C(C)C=C1	REAL300020151758	0	49	-1.0	-43.33	407.74	8.52	-34.81
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=C(C)C=C1	REAL300020151758	1	49	-1.0	-43.34	407.68	8.50	-34.84
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC(C(F)(F)F)NC1=O	REAL300020151761	0	40	-1.0	-44.30	346.28	3.22	-41.08
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CCOC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1C	REAL300020151762	0	44	-1.0	-47.83	378.98	5.91	-41.92
CCOC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1C	REAL300020151762	1	44	-1.0	-47.84	378.92	5.89	-41.95
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2OCCC2=C1	REAL300020151763	0	38	-1.0	-53.37	324.51	5.40	-47.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2OCCC2=C1	REAL300020151763	1	38	-1.0	-53.39	324.45	5.38	-48.01
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CCCCCCOCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151800	0	45	-1.0	-42.81	373.79	6.64	-36.17
CCCCCCOCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151800	1	45	-1.0	-42.84	373.73	6.62	-36.22
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CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C2C(=O)NN(C)C2=N1	REAL300020151805	0	42	-1.0	-69.55	360.10	4.86	-64.69
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C2C(=O)NN(C)C2=N1	REAL300020151805	1	42	-1.0	-69.55	360.04	4.84	-64.71
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CC(C)C1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=CC=N1	REAL300020151808	0	48	-1.0	-53.94	392.12	8.15	-45.79
CC(C)C1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=CC=N1	REAL300020151808	1	48	-1.0	-53.93	392.07	8.13	-45.80
CNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020151809	0	38	-1.0	-52.83	351.86	-0.22	-53.05
CNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020151809	1	38	-1.0	-52.84	351.80	-0.24	-53.08
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020151809	1	37	-2.0	-88.12	348.85	-0.68	-88.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020151809	1	37	-2.0	-88.13	348.79	-0.70	-88.83
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CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=CC=C1C	REAL300020151813	1	46	-1.0	-45.71	384.08	8.02	-37.69
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=N2)C(C)=C1	REAL300020151814	0	45	-1.0	-43.38	383.71	7.52	-35.86
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=N2)C(C)=C1	REAL300020151814	1	45	-1.0	-43.39	383.65	7.50	-35.89
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)C2=CC(Cl)=CC=C2N1	REAL300020151815	0	37	-1.0	-41.00	353.14	6.54	-34.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)C2=CC(Cl)=CC=C2N1	REAL300020151815	1	37	-1.0	-41.00	353.09	6.52	-34.48
CN(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020151816	0	40	-1.0	-45.03	336.73	5.44	-39.59
CN(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020151816	1	40	-1.0	-44.98	336.67	5.42	-39.56
CCN1N=C(C(C)C)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151817	0	45	-1.0	-51.88	367.50	6.48	-45.40
CCN1N=C(C(C)C)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151817	1	45	-1.0	-51.91	367.45	6.45	-45.46
CC1=CC=C(C2=NC(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CS2)O1	REAL300020151818	0	42	-1.0	-50.95	381.35	6.06	-44.89
CC1=CC=C(C2=NC(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CS2)O1	REAL300020151818	1	42	-1.0	-50.95	381.29	6.04	-44.91
CN(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)C1=CC=CS1	REAL300020151819	0	40	-1.0	-49.33	354.03	4.92	-44.41
CN(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(=O)C1=CC=CS1	REAL300020151819	1	40	-1.0	-49.27	353.97	4.90	-44.37
O=C(CCNS(=O)(=O)C1=CC=CN=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151820	0	43	-1.0	-52.89	384.40	0.79	-52.10
O=C(CCNS(=O)(=O)C1=CC=CN=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151820	1	43	-1.0	-52.89	384.34	0.77	-52.12
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(CN2C=CC=N2)O1	REAL300020151821	0	40	-1.0	-54.59	357.11	5.41	-49.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(CN2C=CC=N2)O1	REAL300020151821	1	40	-1.0	-54.60	357.06	5.39	-49.21
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(C)=C1OC(F)F	REAL300020151822	0	43	-1.0	-54.10	366.97	6.63	-47.47
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(C)=C1OC(F)F	REAL300020151822	1	43	-1.0	-54.09	366.91	6.60	-47.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(OC2CCCC2)C=C1	REAL300020151823	0	47	-1.0	-52.20	382.58	7.76	-44.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(OC2CCCC2)C=C1	REAL300020151823	1	47	-1.0	-52.21	382.52	7.73	-44.48
CC1=CC=CC(NC(=O)NCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151824	0	45	-1.0	-43.74	383.46	3.98	-39.76
CC1=CC=CC(NC(=O)NCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151824	1	45	-1.0	-43.76	383.52	4.00	-39.76
COCC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151825	0	40	-1.0	-52.73	336.49	5.47	-47.26
COCC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151825	1	40	-1.0	-52.76	336.43	5.45	-47.31
NS(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020151826	0	38	-1.0	-49.98	359.76	0.34	-49.64
NS(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020151826	1	38	-1.0	-49.99	359.82	0.36	-49.63
CC(C)(C)N1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1=O	REAL300020151827	0	46	-1.0	-46.37	369.45	5.23	-41.14
CC(C)(C)N1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1=O	REAL300020151827	1	46	-1.0	-46.40	369.39	5.20	-41.20
COCCSCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151828	0	37	-1.0	-42.13	331.42	3.66	-38.47
COCCSCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151828	1	37	-1.0	-42.13	331.36	3.63	-38.50
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=C(F)C=C2)=NO1	REAL300020151829	0	42	-1.0	-49.65	374.89	7.29	-42.36
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=C(F)C=C2)=NO1	REAL300020151829	1	42	-1.0	-49.61	374.83	7.26	-42.35
O=C(CN1CCCCC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151830	0	40	-1.0	-47.33	333.45	4.57	-42.76
O=C(CN1CCCCC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151830	1	40	-1.0	-47.32	333.39	4.54	-42.78
O=C(CN1CCCNC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151831	0	39	-1.0	-49.16	328.76	2.44	-46.72
O=C(CN1CCCNC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151831	1	39	-1.0	-49.16	328.70	2.42	-46.74
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=CC=CC=C2F)CCCC1	REAL300020151832	0	46	-1.0	-39.19	367.64	8.72	-30.47
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC=CC=C2F)CCCC1	REAL300020151832	1	46	-1.0	-39.21	367.58	8.70	-30.51
CN1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1=O	REAL300020151833	0	37	-1.0	-44.35	315.79	3.12	-41.23
CN1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1=O	REAL300020151833	1	37	-1.0	-44.38	315.73	3.10	-41.28
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=NN1C1=CC=C(F)C=C1	REAL300020151834	0	42	-1.0	-43.98	367.07	5.80	-38.18
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=NN1C1=CC=C(F)C=C1	REAL300020151834	1	42	-1.0	-43.98	367.02	5.78	-38.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CNC2=CC=CC=C2C1=O	REAL300020151835	0	39	-1.0	-56.40	337.71	5.69	-50.71
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNC2=CC=CC=C2C1=O	REAL300020151835	1	39	-1.0	-56.38	337.66	5.66	-50.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2=CC=CC=C2F)S1	REAL300020151836	0	40	-1.0	-53.14	368.09	8.41	-44.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2=CC=CC=C2F)S1	REAL300020151836	1	40	-1.0	-53.15	368.04	8.38	-44.77
CC1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C#N	REAL300020151837	0	36	-1.0	-47.93	326.01	4.70	-43.23
CC1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C#N	REAL300020151837	1	36	-1.0	-47.91	325.95	4.67	-43.24
CC(=O)NC1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020151838	0	36	-1.0	-44.28	332.49	2.64	-41.64
CC(=O)NC1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020151838	1	36	-1.0	-44.27	332.43	2.61	-41.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCN(C(=O)C2CC2)C1	REAL300020151839	0	47	-1.0	-47.67	379.41	6.08	-41.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCN(C(=O)C2CC2)C1	REAL300020151839	1	47	-1.0	-47.72	379.47	6.10	-41.62
O=C(COC1=CC=CC(NC(=O)C2CC2)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151840	0	48	-1.0	-55.02	409.08	6.51	-48.51
O=C(COC1=CC=CC(NC(=O)C2CC2)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151840	1	48	-1.0	-55.02	409.13	6.53	-48.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL300020151841	0	39	-1.0	-49.08	363.81	7.09	-41.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL300020151841	1	39	-1.0	-49.07	363.75	7.06	-42.01
CC(C)C(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151842	0	46	-1.0	-61.81	384.32	5.93	-55.88
CC(C)C(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151842	1	46	-1.0	-61.80	384.27	5.90	-55.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC=C(Cl)C=C2N1	REAL300020151843	0	37	-1.0	-50.00	339.08	6.00	-44.00
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=C(Cl)C=C2N1	REAL300020151843	1	37	-1.0	-50.00	339.02	5.97	-44.03
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2NC(=O)NC2=C1	REAL300020151844	0	37	-1.0	-44.76	324.32	2.37	-42.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2NC(=O)NC2=C1	REAL300020151844	1	37	-1.0	-44.80	324.27	2.35	-42.45
CC1=CC=C(C2=NOC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)C=C1	REAL300020151845	0	42	-1.0	-47.44	368.67	7.24	-40.20
CC1=CC=C(C2=NOC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)C=C1	REAL300020151845	1	42	-1.0	-47.45	368.61	7.22	-40.23
CN(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)S(=O)(=O)C1=CC=CC=C1	REAL300020151846	0	44	-1.0	-56.86	387.88	3.94	-52.92
CN(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)S(=O)(=O)C1=CC=CC=C1	REAL300020151846	1	44	-1.0	-56.88	387.94	3.97	-52.91
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151847	0	50	-1.0	-44.35	412.67	10.04	-34.31
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151847	1	50	-1.0	-44.38	412.73	10.07	-34.31
CC(C)C1=NOC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020151848	0	43	-1.0	-50.89	368.46	3.68	-47.21
CC(C)C1=NOC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020151848	1	43	-1.0	-50.89	368.52	3.70	-47.19
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151849	0	44	-1.0	-50.71	394.47	6.06	-44.65
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151849	1	44	-1.0	-50.71	394.52	6.08	-44.63
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC=C2F)C=C1	REAL300020151850	0	40	-1.0	-56.75	354.49	6.88	-49.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC=C2F)C=C1	REAL300020151850	1	40	-1.0	-56.72	354.44	6.86	-49.86
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=CC=CC=C2)CCOCC1	REAL300020151851	0	47	-1.0	-40.97	372.83	6.47	-34.50
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC=CC=C2)CCOCC1	REAL300020151851	1	47	-1.0	-40.93	372.78	6.44	-34.49
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020151852	0	36	-1.0	-41.89	315.99	2.28	-39.61
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020151852	1	36	-1.0	-41.87	315.94	2.25	-39.62
CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151853	0	45	-1.0	-52.28	379.18	5.70	-46.58
CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151853	1	45	-1.0	-52.28	379.12	5.67	-46.61
CC1=NC(C)=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)N1	REAL300020151854	0	41	-1.0	-50.31	352.06	3.47	-46.84
CC1=NC(C)=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)N1	REAL300020151854	1	41	-1.0	-50.29	352.01	3.45	-46.84
CC1=CC=C(C2=NC(C)=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)S2)O1	REAL300020151855	0	42	-1.0	-53.32	377.35	6.01	-47.31
CC1=CC=C(C2=NC(C)=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)S2)O1	REAL300020151855	1	42	-1.0	-53.34	377.29	5.98	-47.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300020151856	0	46	-1.0	-45.83	392.41	5.29	-40.54
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300020151856	1	46	-1.0	-45.87	392.47	5.32	-40.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1	REAL300020151857	0	45	-1.0	-62.99	394.78	8.04	-54.95
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1	REAL300020151857	1	45	-1.0	-63.04	394.72	8.02	-55.02
CC(C)(C)C1=NOC(CCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020151858	0	49	-1.0	-47.15	409.37	5.01	-42.14
CC(C)(C)C1=NOC(CCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020151858	1	49	-1.0	-47.17	409.42	5.03	-42.14
CC(=O)C1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151859	0	41	-1.0	-46.45	354.52	6.65	-39.80
CC(=O)C1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151859	1	41	-1.0	-46.44	354.47	6.63	-39.81
CN(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)S(=O)(=O)C1=CC=CN=C1	REAL300020151860	0	43	-1.0	-53.66	383.24	2.15	-51.51
CN(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)S(=O)(=O)C1=CC=CN=C1	REAL300020151860	1	43	-1.0	-53.64	383.19	2.13	-51.51
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020151861	0	38	-1.0	-47.62	348.29	0.55	-47.07
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020151861	1	38	-1.0	-47.63	348.23	0.53	-47.10
CCCCC(CC)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151862	0	44	-1.0	-42.32	350.25	7.06	-35.26
CCCCC(CC)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151862	1	44	-1.0	-42.33	350.19	7.04	-35.29
COC(=O)N(C)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151863	0	37	-1.0	-47.18	323.74	3.24	-43.94
COC(=O)N(C)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151863	1	37	-1.0	-47.18	323.68	3.22	-43.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCN(C(=O)N2CCCC2)C1	REAL300020151864	0	52	-1.0	-49.17	403.25	5.76	-43.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCN(C(=O)N2CCCC2)C1	REAL300020151864	1	52	-1.0	-49.18	403.31	5.78	-43.40
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151865	0	40	-1.0	-51.02	352.27	7.74	-43.28
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151865	1	40	-1.0	-51.03	352.21	7.72	-43.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300020151866	0	42	-1.0	-59.45	378.24	7.40	-52.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300020151866	1	42	-1.0	-59.45	378.19	7.38	-52.07
CC1=CC=C(C2=NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CS2)O1	REAL300020151867	0	39	-1.0	-52.37	360.32	5.23	-47.14
CC1=CC=C(C2=NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CS2)O1	REAL300020151867	1	39	-1.0	-52.36	360.27	5.21	-47.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C1=CC=CC=C1)N1CCCCC1=O	REAL300020151868	0	50	-1.0	-48.89	401.41	9.10	-39.79
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C1=CC=CC=C1)N1CCCCC1=O	REAL300020151868	1	50	-1.0	-48.90	401.36	9.08	-39.82
CC1=NOC(CCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020151869	0	40	-1.0	-47.26	347.70	3.42	-43.84
CC1=NOC(CCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020151869	1	40	-1.0	-47.29	347.64	3.39	-43.90
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151870	0	45	-1.0	-46.63	400.00	7.86	-38.77
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151870	1	45	-1.0	-46.63	400.06	7.89	-38.74
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC2=C1C(=O)CCC2	REAL300020151871	0	42	-1.0	-57.99	354.94	6.07	-51.92
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC2=C1C(=O)CCC2	REAL300020151871	1	42	-1.0	-57.97	354.88	6.05	-51.92
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151872	0	45	-1.0	-47.29	376.67	5.54	-41.75
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151872	1	45	-1.0	-47.33	376.61	5.51	-41.82
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=C(F)C=C1F	REAL300020151873	0	43	-1.0	-46.67	379.52	7.40	-39.27
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=C(F)C=C1F	REAL300020151873	1	43	-1.0	-46.69	379.47	7.37	-39.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(OCC2=CC=CS2)=C1	REAL300020151874	0	44	-1.0	-53.09	389.82	7.92	-45.17
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(OCC2=CC=CS2)=C1	REAL300020151874	1	44	-1.0	-53.11	389.76	7.89	-45.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020151875	0	40	-2.0	-97.37	353.96	0.80	-96.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020151875	1	40	-2.0	-97.37	353.91	0.78	-96.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(CC2=CC=CC=C2)=N1	REAL300020151876	0	42	-1.0	-51.58	379.19	7.04	-44.54
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(CC2=CC=CC=C2)=N1	REAL300020151876	1	42	-1.0	-51.55	379.14	7.02	-44.53
CC(C)NC(=O)NC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151877	0	48	-1.0	-52.68	401.99	4.72	-47.96
CC(C)NC(=O)NC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151877	1	48	-1.0	-52.69	401.93	4.70	-47.99
CCC(CC)N1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1=O	REAL300020151878	0	49	-1.0	-46.60	393.73	6.83	-39.77
CCC(CC)N1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1=O	REAL300020151878	1	49	-1.0	-46.67	393.79	6.86	-39.81
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CNC=C1C1=CC=CC=C1	REAL300020151879	0	41	-1.0	-61.18	352.45	7.08	-54.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNC=C1C1=CC=CC=C1	REAL300020151879	1	41	-1.0	-61.19	352.39	7.06	-54.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(C2=CC=CC(Cl)=C2)=N1	REAL300020151880	0	39	-1.0	-50.97	372.60	6.89	-44.08
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(C2=CC=CC(Cl)=C2)=N1	REAL300020151880	1	39	-1.0	-50.95	372.54	6.86	-44.09
CCC(=O)NC(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151881	0	39	-1.0	-42.65	331.71	2.60	-40.05
CCC(=O)NC(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151881	1	39	-1.0	-42.64	331.65	2.57	-40.07
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151882	0	38	-1.0	-44.37	329.85	5.97	-38.40
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151882	1	38	-1.0	-44.36	329.79	5.94	-38.42
O=C(CCNC(=O)OCC1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151883	0	47	-1.0	-47.41	406.56	4.92	-42.49
O=C(CCNC(=O)OCC1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151883	1	47	-1.0	-47.45	406.62	4.94	-42.51
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1CC1=CC=CC=C1	REAL300020151884	0	46	-1.0	-45.31	390.14	7.66	-37.65
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1CC1=CC=CC=C1	REAL300020151884	1	46	-1.0	-45.31	390.08	7.63	-37.68
N#CC(=CC1=CC=C(F)C=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151885	0	38	-1.0	-45.74	346.33	6.91	-38.83
N#CC(=CC1=CC=C(F)C=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151885	1	38	-1.0	-45.76	346.27	6.88	-38.88
NC(=S)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151886	0	37	-1.0	-62.53	336.28	4.78	-57.75
NC(=S)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151886	1	37	-1.0	-62.51	336.23	4.76	-57.75
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020151887	0	32	-1.0	-51.12	292.78	3.34	-47.78
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020151887	1	32	-1.0	-51.16	292.73	3.31	-47.85
O=C(C=CC1=C(F)C=CC=C1F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151888	0	37	-1.0	-43.52	336.55	6.93	-36.59
O=C(C=CC1=C(F)C=CC=C1F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151888	1	37	-1.0	-43.51	336.49	6.91	-36.60
O=C(CCCC1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151889	0	42	-1.0	-42.55	356.13	7.82	-34.73
O=C(CCCC1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151889	1	42	-1.0	-42.56	356.07	7.80	-34.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2C=CNC2=CC=C1	REAL300020151890	0	37	-1.0	-58.97	317.70	5.58	-53.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2C=CNC2=CC=C1	REAL300020151890	1	37	-1.0	-59.00	317.65	5.55	-53.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=CC(Br)=C1	REAL300020151891	0	33	-1.0	-38.76	316.32	6.24	-32.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=CC(Br)=C1	REAL300020151891	1	33	-1.0	-38.72	316.26	6.21	-32.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1N1C=CC=N1	REAL300020151892	0	40	-1.0	-49.31	344.92	7.00	-42.31
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1N1C=CC=N1	REAL300020151892	1	40	-1.0	-49.31	344.86	6.98	-42.33
O=C(CCOC1=CC=C(Cl)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151893	0	40	-1.0	-40.54	359.77	6.36	-34.18
O=C(CCOC1=CC=C(Cl)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151893	1	40	-1.0	-40.55	359.83	6.39	-34.16
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(CN2C=CN=C2)C=C1	REAL300020151894	0	43	-1.0	-59.42	371.84	8.79	-50.63
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(CN2C=CN=C2)C=C1	REAL300020151894	1	43	-1.0	-59.41	371.90	8.82	-50.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Br)C2=CC=CC=C2N1	REAL300020151895	0	37	-1.0	-53.76	340.75	6.12	-47.64
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Br)C2=CC=CC=C2N1	REAL300020151895	1	37	-1.0	-53.79	340.69	6.10	-47.69
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL300020151896	0	43	-1.0	-59.32	367.24	9.05	-50.27
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL300020151896	1	43	-1.0	-59.30	367.18	9.02	-50.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CN=C1N1CCCCC1	REAL300020151897	0	47	-1.0	-45.96	380.68	7.15	-38.81
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CN=C1N1CCCCC1	REAL300020151897	1	47	-1.0	-45.98	380.62	7.13	-38.85
O=C(CCOCC1CCCO1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151898	0	44	-1.0	-42.60	365.77	3.72	-38.88
O=C(CCOCC1CCCO1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151898	1	44	-1.0	-42.63	365.83	3.75	-38.88
O=C(COCCOC1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151899	0	44	-1.0	-47.79	377.57	6.27	-41.52
O=C(COCCOC1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151899	1	44	-1.0	-47.76	377.63	6.29	-41.47
COC1=CC=CC(COCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151900	0	44	-1.0	-46.88	377.18	5.82	-41.06
COC1=CC=CC(COCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151900	1	44	-1.0	-46.88	377.24	5.85	-41.03
CN1N=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(F)(F)F	REAL300020151901	0	36	-1.0	-42.30	322.68	4.11	-38.19
CN1N=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(F)(F)F	REAL300020151901	1	36	-1.0	-42.29	322.63	4.09	-38.20
CC1=CC=C(N2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=N2)C=C1	REAL300020151902	0	42	-1.0	-48.61	367.31	5.94	-42.67
CC1=CC=C(N2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=N2)C=C1	REAL300020151902	1	42	-1.0	-48.62	367.25	5.91	-42.71
CCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1CC1=CC=CC=C1	REAL300020151903	0	49	-1.0	-51.72	408.46	8.23	-43.49
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1CC1=CC=CC=C1	REAL300020151903	1	49	-1.0	-51.72	408.40	8.21	-43.51
COCCS(=O)(=O)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151904	0	39	-1.0	-53.90	349.89	0.21	-53.69
COCCS(=O)(=O)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151904	1	39	-1.0	-53.92	349.83	0.18	-53.74
O=C(CC1=CC2=CC=CC=C2NC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151905	0	42	-1.0	-50.58	363.59	5.30	-45.28
O=C(CC1=CC2=CC=CC=C2NC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151905	1	42	-1.0	-50.51	363.54	5.28	-45.23
CC1=CC2=NC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C(=O)N2C=C1	REAL300020151906	0	41	-1.0	-53.18	352.40	6.37	-46.81
CC1=CC2=NC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C(=O)N2C=C1	REAL300020151906	1	41	-1.0	-53.18	352.34	6.34	-46.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C(C2=CC=CC=C2)S1	REAL300020151907	0	39	-1.0	-52.62	355.40	6.48	-46.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C(C2=CC=CC=C2)S1	REAL300020151907	1	39	-1.0	-52.66	355.34	6.45	-46.21
O=C(CCCN1C(=O)CCC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151908	0	42	-1.0	-49.81	361.41	4.47	-45.34
O=C(CCCN1C(=O)CCC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151908	1	42	-1.0	-49.80	361.47	4.49	-45.31
O=C(CCOC1=CC=C(F)C(Cl)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151909	0	40	-1.0	-41.95	365.63	6.41	-35.54
O=C(CCOC1=CC=C(F)C(Cl)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151909	1	40	-1.0	-41.98	365.69	6.44	-35.54
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C(C2=CC=CS2)O1	REAL300020151910	0	39	-1.0	-43.62	357.48	3.82	-39.80
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C(C2=CC=CS2)O1	REAL300020151910	1	39	-1.0	-43.59	357.42	3.79	-39.80
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL300020151911	0	39	-1.0	-47.88	353.68	6.63	-41.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL300020151911	1	39	-1.0	-47.93	353.62	6.61	-41.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCN(C(=O)N2CCCC2)CC1	REAL300020151912	0	52	-1.0	-48.59	403.04	5.87	-42.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCN(C(=O)N2CCCC2)CC1	REAL300020151912	1	52	-1.0	-48.54	403.10	5.90	-42.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC=CC(Br)=C2O1	REAL300020151913	0	36	-1.0	-49.18	341.14	6.58	-42.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=CC(Br)=C2O1	REAL300020151913	1	36	-1.0	-49.18	341.08	6.56	-42.62
CC(C)CC1=CC=C(C(=O)CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151914	0	53	-1.0	-41.99	435.92	9.53	-32.46
CC(C)CC1=CC=C(C(=O)CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151914	1	53	-1.0	-42.03	435.97	9.55	-32.48
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151915	0	41	-1.0	-49.61	369.99	6.51	-43.10
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151915	1	41	-1.0	-49.58	369.93	6.48	-43.10
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151916	0	48	-1.0	-57.35	419.06	5.71	-51.64
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151916	1	48	-1.0	-57.35	419.12	5.74	-51.61
CCN1CCN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)C1=O	REAL300020151917	0	44	-1.0	-58.31	373.51	4.55	-53.76
CCN1CCN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)C1=O	REAL300020151917	1	44	-1.0	-58.30	373.57	4.57	-53.73
COC1=CC=C2NC=C(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2=C1	REAL300020151918	0	44	-1.0	-57.51	374.71	5.58	-51.93
COC1=CC=C2NC=C(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2=C1	REAL300020151918	1	44	-1.0	-57.50	374.65	5.56	-51.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCN(C2=NC=CC=N2)CC1	REAL300020151919	0	46	-1.0	-44.95	376.71	6.34	-38.61
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCN(C2=NC=CC=N2)CC1	REAL300020151919	1	46	-1.0	-44.96	376.65	6.32	-38.64
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)S(C)(=O)=O	REAL300020151920	0	35	-1.0	-54.61	311.34	1.25	-53.36
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)S(C)(=O)=O	REAL300020151920	1	35	-1.0	-54.61	311.28	1.23	-53.38
O=C(CCC(=O)C1=CC=CC2=CC=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151921	0	47	-1.0	-44.75	396.14	9.12	-35.63
O=C(CCC(=O)C1=CC=CC2=CC=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151921	1	47	-1.0	-44.73	396.19	9.14	-35.59
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1	REAL300020151922	0	42	-1.0	-47.23	374.06	8.59	-38.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1	REAL300020151922	1	42	-1.0	-47.25	374.11	8.61	-38.64
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(S(N)(=O)=O)=C(C)O1	REAL300020151923	0	41	-1.0	-53.09	368.21	0.12	-52.97
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(S(N)(=O)=O)=C(C)O1	REAL300020151923	1	41	-1.0	-53.06	368.15	0.09	-52.97
CN(C)C1=NC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151924	0	40	-1.0	-43.23	338.00	5.23	-38.00
CN(C)C1=NC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151924	1	40	-1.0	-43.20	337.94	5.21	-37.99
CCC1=CC(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020151925	0	43	-1.0	-43.24	377.57	7.82	-35.42
CCC1=CC(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020151925	1	43	-1.0	-43.24	377.63	7.85	-35.39
CC(OC1=CC=C2CCCC2=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151926	0	47	-1.0	-43.47	385.42	8.53	-34.94
CC(OC1=CC=C2CCCC2=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151926	1	47	-1.0	-43.44	385.37	8.50	-34.94
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151927	0	40	-1.0	-55.80	370.33	7.62	-48.18
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151927	1	40	-1.0	-55.79	370.39	7.64	-48.15
O=C(CCCC1=NC(C2=CC=CS2)=NO1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151928	0	44	-1.0	-49.15	397.94	5.46	-43.69
O=C(CCCC1=NC(C2=CC=CS2)=NO1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151928	1	44	-1.0	-49.13	397.88	5.44	-43.69
COC1=CC=CC(COC(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151929	0	47	-1.0	-46.78	396.62	6.52	-40.26
COC1=CC=CC(COC(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151929	1	47	-1.0	-46.80	396.68	6.55	-40.25
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151930	0	47	-1.0	-50.03	407.61	3.77	-46.26
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151930	1	47	-1.0	-50.04	407.67	3.79	-46.25
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(C(C)C)=N1	REAL300020151931	0	41	-1.0	-50.31	355.90	5.37	-44.94
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C(C)C)=N1	REAL300020151931	1	41	-1.0	-50.31	355.84	5.34	-44.97
CCCC1=NC(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020151932	0	41	-1.0	-39.87	357.73	5.58	-34.29
CCCC1=NC(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020151932	1	41	-1.0	-39.86	357.67	5.56	-34.30
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151933	0	48	-1.0	-48.00	411.26	6.28	-41.72
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151933	1	48	-1.0	-48.04	411.32	6.30	-41.74
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C=CNC2=C1	REAL300020151934	0	37	-1.0	-43.83	319.86	5.59	-38.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C=CNC2=C1	REAL300020151934	1	37	-1.0	-43.81	319.80	5.57	-38.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2CCOC2=O)C=C1	REAL300020151935	0	42	-1.0	-66.28	357.15	5.63	-60.65
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2CCOC2=O)C=C1	REAL300020151935	1	42	-1.0	-66.23	357.10	5.60	-60.63
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL300020151936	0	42	-1.0	-44.56	377.79	7.39	-37.17
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL300020151936	1	42	-1.0	-44.55	377.73	7.36	-37.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(N2CCNC2=O)=C1	REAL300020151937	0	43	-1.0	-56.07	361.06	4.29	-51.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(N2CCNC2=O)=C1	REAL300020151937	1	43	-1.0	-56.08	361.00	4.26	-51.82
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)CC1	REAL300020151938	0	45	-1.0	-59.36	378.57	6.99	-52.37
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)CC1	REAL300020151938	1	45	-1.0	-59.37	378.51	6.97	-52.40
CC1=CC(NC(=O)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020151939	0	36	-1.0	-47.73	322.10	3.00	-44.73
CC1=CC(NC(=O)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NO1	REAL300020151939	1	36	-1.0	-47.73	322.04	2.97	-44.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL300020151940	0	46	-1.0	-43.84	383.98	9.30	-34.54
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL300020151940	1	46	-1.0	-43.84	383.92	9.28	-34.56
CC(C)OC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020151941	0	42	-1.0	-40.61	357.43	4.14	-36.47
CC(C)OC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020151941	1	42	-1.0	-40.56	357.38	4.11	-36.45
O=C(CC1=NN2C=CC=NC2=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151942	0	37	-1.0	-56.33	330.45	6.14	-50.19
O=C(CC1=NN2C=CC=NC2=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151942	1	37	-1.0	-56.34	330.39	6.12	-50.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300020151943	0	38	-1.0	-43.44	339.23	1.03	-42.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300020151943	1	38	-1.0	-43.48	339.17	1.01	-42.47
CC(C)CS(=O)(=O)CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151944	0	44	-1.0	-46.92	375.01	3.25	-43.67
CC(C)CS(=O)(=O)CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151944	1	44	-1.0	-46.88	375.07	3.28	-43.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=C(Br)N1	REAL300020151945	0	31	-1.0	-38.57	314.07	4.35	-34.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=C(Br)N1	REAL300020151945	1	31	-1.0	-38.58	314.01	4.32	-34.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C2=CC=CC=C2)=NO1	REAL300020151946	0	39	-1.0	-47.54	347.27	6.56	-40.98
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C2=CC=CC=C2)=NO1	REAL300020151946	1	39	-1.0	-47.53	347.22	6.54	-40.99
O=C(CC1=CC=C(OC(F)(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151947	0	40	-1.0	-42.29	359.18	6.01	-36.28
O=C(CC1=CC=C(OC(F)(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151947	1	40	-1.0	-42.34	359.23	6.03	-36.31
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020151948	0	47	-1.0	-51.75	396.91	7.99	-43.76
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020151948	1	47	-1.0	-51.74	396.85	7.96	-43.78
N#CC1=CC=C(CSCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151949	0	41	-1.0	-45.85	378.45	7.99	-37.86
N#CC1=CC=C(CSCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151949	1	41	-1.0	-45.85	378.51	8.01	-37.84
COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC(F)F	REAL300020151950	0	41	-1.0	-46.61	356.99	5.06	-41.55
COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC(F)F	REAL300020151950	1	41	-1.0	-46.63	356.93	5.04	-41.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(N2CCOC2=O)=C1	REAL300020151951	0	42	-1.0	-68.07	357.01	5.64	-62.43
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(N2CCOC2=O)=C1	REAL300020151951	1	42	-1.0	-68.06	356.95	5.61	-62.45
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C(C)(C)C	REAL300020151952	0	45	-1.0	-44.97	361.47	5.57	-39.40
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C(C)(C)C	REAL300020151952	1	45	-1.0	-44.92	361.41	5.55	-39.37
NC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN1	REAL300020151953	0	35	-1.0	-51.99	312.73	0.12	-51.87
NC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN1	REAL300020151953	1	35	-1.0	-52.00	312.67	0.09	-51.91
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)C=C1	REAL300020151954	0	43	-1.0	-58.80	368.83	7.34	-51.46
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)C=C1	REAL300020151954	1	43	-1.0	-58.77	368.77	7.32	-51.45
CC1=NN(C2=CC=C(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)C(C)=C1	REAL300020151955	0	49	-1.0	-48.30	412.30	8.41	-39.89
CC1=NN(C2=CC=C(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)C(C)=C1	REAL300020151955	1	49	-1.0	-48.33	412.35	8.43	-39.90
O=C(CS(=O)(=O)C1CCCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151956	0	42	-1.0	-54.49	358.09	3.04	-51.45
O=C(CS(=O)(=O)C1CCCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151956	1	42	-1.0	-54.49	358.15	3.07	-51.42
CCOC1=CC=CC2=C1OCC(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=C2	REAL300020151957	0	46	-1.0	-44.73	385.57	6.83	-37.90
CCOC1=CC=CC2=C1OCC(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=C2	REAL300020151957	1	46	-1.0	-44.73	385.51	6.80	-37.93
COC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020151958	0	44	-1.0	-52.65	380.64	5.03	-47.62
COC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1	REAL300020151958	1	44	-1.0	-52.62	380.58	5.01	-47.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC(C2=CC=CS2)=C1	REAL300020151959	0	37	-1.0	-52.75	343.01	4.66	-48.09
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC(C2=CC=CS2)=C1	REAL300020151959	1	37	-1.0	-52.73	342.95	4.64	-48.09
COC1=CC(C#N)=CC=C1OCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151960	0	48	-1.0	-48.55	414.58	6.92	-41.63
COC1=CC(C#N)=CC=C1OCCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151960	1	48	-1.0	-48.54	414.63	6.94	-41.60
CC(C)CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020151961	0	42	-1.0	-44.87	352.85	4.56	-40.31
CC(C)CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1	REAL300020151961	1	42	-1.0	-44.86	352.80	4.54	-40.32
COCCOC(=O)C1=C(C)NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020151962	0	50	-1.0	-45.36	426.67	5.45	-39.91
COCCOC(=O)C1=C(C)NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020151962	1	50	-1.0	-45.36	426.62	5.42	-39.94
CCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C	REAL300020151963	0	39	-1.0	-51.66	331.52	4.53	-47.13
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C	REAL300020151963	1	39	-1.0	-51.69	331.46	4.51	-47.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL300020151964	0	38	-1.0	-49.67	347.94	6.63	-43.04
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL300020151964	1	38	-1.0	-49.69	347.88	6.61	-43.08
CCC(OC1=CC=CC=C1C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151965	0	46	-1.0	-51.48	374.61	7.93	-43.55
CCC(OC1=CC=CC=C1C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151965	1	46	-1.0	-51.47	374.55	7.90	-43.57
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC(C2=CC=C3OCOC3=C2)=C1	REAL300020151966	0	43	-1.0	-52.36	375.79	4.20	-48.16
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC(C2=CC=C3OCOC3=C2)=C1	REAL300020151966	1	43	-1.0	-52.35	375.74	4.17	-48.18
CCOC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020151967	0	47	-1.0	-52.45	402.49	5.97	-46.48
CCOC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1	REAL300020151967	1	47	-1.0	-52.48	402.44	5.94	-46.54
CC(C)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020151968	0	39	-1.0	-51.57	333.90	3.96	-47.61
CC(C)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1	REAL300020151968	1	39	-1.0	-51.55	333.84	3.94	-47.61
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151969	0	43	-1.0	-47.03	371.59	7.44	-39.59
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151969	1	43	-1.0	-47.05	371.54	7.42	-39.63
O=C(CCCOC1=CC=CC2=CC=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151970	0	49	-1.0	-45.87	409.58	8.94	-36.93
O=C(CCCOC1=CC=CC2=CC=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151970	1	49	-1.0	-45.86	409.64	8.96	-36.90
CC(C)(C)N1N=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(F)(F)F	REAL300020151971	0	45	-1.0	-54.11	372.85	5.78	-48.33
CC(C)(C)N1N=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(F)(F)F	REAL300020151971	1	45	-1.0	-54.11	372.80	5.76	-48.35
O=C(CCC1=CC=NC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151972	0	38	-1.0	-42.17	329.51	5.28	-36.89
O=C(CCC1=CC=NC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151972	1	38	-1.0	-42.20	329.45	5.25	-36.95
CN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC1=O	REAL300020151973	0	36	-1.0	-44.15	313.07	4.38	-39.77
CN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC1=O	REAL300020151973	1	36	-1.0	-44.17	313.01	4.36	-39.81
CCCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C	REAL300020151974	0	42	-1.0	-52.19	353.02	5.31	-46.88
CCCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C	REAL300020151974	1	42	-1.0	-52.18	352.96	5.29	-46.89
COC1=CC=C2C(=C1)C=CN2CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151975	0	44	-1.0	-46.91	375.95	7.01	-39.90
COC1=CC=C2C(=C1)C=CN2CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151975	1	44	-1.0	-46.92	375.89	6.99	-39.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL300020151976	0	37	-1.0	-54.16	354.13	6.45	-47.71
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL300020151976	1	37	-1.0	-54.15	354.08	6.42	-47.73
CC1=CC=C(C)N1C1=NC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020151977	0	46	-1.0	-52.64	394.88	8.59	-44.05
CC1=CC=C(C)N1C1=NC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020151977	1	46	-1.0	-52.70	394.93	8.62	-44.08
CC(=O)NC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C	REAL300020151978	0	43	-1.0	-52.14	362.16	5.29	-46.85
CC(=O)NC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C	REAL300020151978	1	43	-1.0	-52.11	362.10	5.26	-46.85
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C(C)(C)C	REAL300020151979	0	45	-1.0	-54.21	365.84	5.60	-48.61
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C(C)(C)C	REAL300020151979	1	45	-1.0	-54.25	365.78	5.58	-48.67
CC(C)CS(=O)(=O)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151980	0	41	-1.0	-54.34	352.96	2.70	-51.64
CC(C)CS(=O)(=O)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151980	1	41	-1.0	-54.29	352.90	2.68	-51.61
O=C(CCS(=O)(=O)C1CCCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151981	0	45	-1.0	-46.72	380.20	3.61	-43.11
O=C(CCS(=O)(=O)C1CCCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151981	1	45	-1.0	-46.74	380.26	3.63	-43.11
N#CC1=CC=C(CS(=O)(=O)CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151982	0	43	-1.0	-59.16	396.92	4.54	-54.62
N#CC1=CC=C(CS(=O)(=O)CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151982	1	43	-1.0	-59.18	396.98	4.56	-54.62
COC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020151983	0	40	-1.0	-42.74	345.38	6.31	-36.43
COC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020151983	1	40	-1.0	-42.72	345.32	6.29	-36.43
CC(C)C1=CC=C(SCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151984	0	46	-1.0	-41.83	391.88	8.60	-33.23
CC(C)C1=CC=C(SCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151984	1	46	-1.0	-41.87	391.94	8.63	-33.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Br)C=CS1	REAL300020151985	0	30	-1.0	-52.82	298.41	5.19	-47.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Br)C=CS1	REAL300020151985	1	30	-1.0	-52.81	298.36	5.16	-47.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC(Cl)=C(Cl)C=C2N1	REAL300020151986	0	37	-1.0	-49.72	354.18	6.46	-43.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC(Cl)=C(Cl)C=C2N1	REAL300020151986	1	37	-1.0	-49.72	354.13	6.44	-43.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC(N2CCCC2)=NC=C1Cl	REAL300020151987	0	43	-1.0	-47.82	372.94	6.03	-41.79
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC(N2CCCC2)=NC=C1Cl	REAL300020151987	1	43	-1.0	-47.81	372.88	6.01	-41.80
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151988	0	48	-1.0	-51.00	395.75	10.05	-40.95
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151988	1	48	-1.0	-51.04	395.69	10.03	-41.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2=CC=CC=C2)NC1=O	REAL300020151989	0	43	-1.0	-55.70	365.19	6.34	-49.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2=CC=CC=C2)NC1=O	REAL300020151989	1	43	-1.0	-55.71	365.14	6.31	-49.40
CC1=NN(C)C2=NC(C)=C(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C(C)=C12	REAL300020151990	0	50	-1.0	-48.58	407.56	6.81	-41.77
CC1=NN(C)C2=NC(C)=C(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C(C)=C12	REAL300020151990	1	50	-1.0	-48.59	407.50	6.79	-41.80
O=C(CCN1C2=C(C=CC=C2)C2=C1C=CC=C2)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151991	0	49	-1.0	-42.88	413.40	10.30	-32.58
O=C(CCN1C2=C(C=CC=C2)C2=C1C=CC=C2)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151991	1	49	-1.0	-42.81	413.34	10.28	-32.53
CC(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020151992	0	45	-1.0	-57.54	388.10	4.57	-52.97
CC(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020151992	1	45	-1.0	-57.55	388.05	4.54	-53.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300020151993	0	36	-1.0	-38.00	339.66	6.87	-31.13
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300020151993	1	36	-1.0	-38.00	339.60	6.84	-31.16
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(CCC2)NC1=O	REAL300020151994	0	40	-1.0	-51.04	336.42	4.61	-46.43
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(CCC2)NC1=O	REAL300020151994	1	40	-1.0	-51.04	336.36	4.59	-46.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(OC1=CC=CC=C1)C1=CC=CC=C1	REAL300020151995	0	47	-1.0	-43.56	399.38	9.65	-33.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(OC1=CC=CC=C1)C1=CC=CC=C1	REAL300020151995	1	47	-1.0	-43.55	399.32	9.63	-33.92
O=C(CN1CCCCCCC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151996	0	46	-1.0	-45.90	358.63	5.91	-39.99
O=C(CN1CCCCCCC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151996	1	46	-1.0	-45.89	358.57	5.88	-40.01
CN1C(=O)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C21	REAL300020151997	0	42	-1.0	-46.12	351.24	6.34	-39.78
CN1C(=O)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C21	REAL300020151997	1	42	-1.0	-46.12	351.18	6.32	-39.80
CC1=NN(C(C)CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020151998	0	45	-1.0	-43.87	373.56	5.94	-37.93
CC1=NN(C(C)CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020151998	1	45	-1.0	-43.84	373.50	5.92	-37.92
N#CCC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151999	0	37	-1.0	-53.80	330.59	6.73	-47.07
N#CCC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151999	1	37	-1.0	-53.80	330.54	6.70	-47.10
COC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020152000	0	38	-1.0	-43.75	341.29	4.46	-39.29
COC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020152000	1	38	-1.0	-43.77	341.24	4.44	-39.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC(=O)NC1	REAL300020152001	0	37	-1.0	-43.82	311.33	1.79	-42.03
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC(=O)NC1	REAL300020152001	1	37	-1.0	-43.81	311.27	1.77	-42.04
O=C(CC1=NN(C2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152002	0	42	-1.0	-57.01	366.93	6.05	-50.96
O=C(CC1=NN(C2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152002	1	42	-1.0	-57.03	366.87	6.03	-51.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2C=CNC2=S)C=C1	REAL300020152003	0	41	-1.0	-55.62	371.12	8.30	-47.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2C=CNC2=S)C=C1	REAL300020152003	1	41	-1.0	-55.58	371.07	8.28	-47.30
CCCCCCCCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152004	0	53	-1.0	-40.37	425.15	9.46	-30.91
CCCCCCCCCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152004	1	53	-1.0	-40.37	425.21	9.49	-30.88
COC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020152005	0	39	-1.0	-46.30	343.38	6.21	-40.09
COC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020152005	1	39	-1.0	-46.28	343.32	6.18	-40.10
CC(NC(=O)C1CCCC1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152006	0	46	-1.0	-41.50	374.57	4.48	-37.02
CC(NC(=O)C1CCCC1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152006	1	46	-1.0	-41.48	374.52	4.45	-37.03
CC(C)(C)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020152007	0	42	-1.0	-51.54	353.07	4.46	-47.08
CC(C)(C)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1	REAL300020152007	1	42	-1.0	-51.57	353.02	4.44	-47.13
CC1=NN(C)C(C)=C1C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020152008	0	46	-1.0	-55.81	395.42	4.38	-51.43
CC1=NN(C)C(C)=C1C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1	REAL300020152008	1	46	-1.0	-55.82	395.36	4.36	-51.46
CC1=CC=C(C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NN2)O1	REAL300020152009	0	40	-1.0	-54.39	356.12	4.50	-49.89
CC1=CC=C(C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NN2)O1	REAL300020152009	1	40	-1.0	-54.37	356.06	4.47	-49.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC2=C1CCC2	REAL300020152010	0	37	-1.0	-54.06	316.99	3.89	-50.17
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC2=C1CCC2	REAL300020152010	1	37	-1.0	-54.02	316.93	3.86	-50.16
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(CC2=CC=CC=C2)C(=O)CC1	REAL300020152011	0	47	-1.0	-47.72	401.00	6.64	-41.08
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(CC2=CC=CC=C2)C(=O)CC1	REAL300020152011	1	47	-1.0	-47.78	401.05	6.66	-41.12
CC1=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=NC2=NN1	REAL300020152012	0	38	-1.0	-48.67	331.67	4.09	-44.58
CC1=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=NC2=NN1	REAL300020152012	1	38	-1.0	-48.63	331.61	4.07	-44.56
CC(C)(C)N1C=C(C(=O)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020152013	0	44	-1.0	-50.19	373.97	5.19	-45.00
CC(C)(C)N1C=C(C(=O)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020152013	1	44	-1.0	-50.17	373.91	5.16	-45.01
CN(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2NC=NC2=NC=N1	REAL300020152014	0	42	-1.0	-53.70	354.79	5.06	-48.64
CN(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2NC=NC2=NC=N1	REAL300020152014	1	42	-1.0	-53.76	354.73	5.04	-48.72
O=C(COC1CCCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152015	0	40	-1.0	-43.16	332.49	5.57	-37.59
O=C(COC1CCCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152015	1	40	-1.0	-43.13	332.43	5.54	-37.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)N=C2C=CC=CN21	REAL300020152016	0	36	-1.0	-60.44	326.50	6.42	-54.02
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NC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C(F)C=C1[N+](=O)[O-]	REAL300020152108	0	37	-1.0	-49.01	329.39	4.70	-44.31
NC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C(F)C=C1[N+](=O)[O-]	REAL300020152108	1	37	-1.0	-49.01	329.33	4.67	-44.34
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COC1=CC=C(Cl)C=C1C=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152110	0	41	-1.0	-54.34	368.20	6.63	-47.71
COC1=CC=C(Cl)C=C1C=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152110	1	41	-1.0	-54.36	368.15	6.61	-47.75
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC=CC(Cl)=C2)CCCCC1	REAL300020152116	1	49	-1.0	-41.86	397.54	9.34	-32.52
CC(=O)NC1=CC=C(SC(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152117	0	47	-1.0	-47.20	410.42	6.25	-40.95
CC(=O)NC1=CC=C(SC(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152117	1	47	-1.0	-47.19	410.48	6.27	-40.92
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CC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020152273	0	32	-1.0	-52.16	297.72	3.43	-48.73
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CC(C)(C)C(=O)N1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020152276	1	52	-1.0	-47.79	397.32	5.98	-41.81
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COCCN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C21	REAL300020152281	1	47	-1.0	-61.03	398.88	7.18	-53.85
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CCCS(=O)(=O)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152290	0	38	-1.0	-54.93	337.71	1.93	-53.00
CCCS(=O)(=O)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152290	1	38	-1.0	-54.93	337.65	1.91	-53.02
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CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC2=C(C)C=CC(C)=C12	REAL300020152291	1	45	-1.0	-50.04	374.46	7.77	-42.27
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CC(C)C1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C(C2=CC=CC=C2)O1	REAL300020152294	0	48	-1.0	-48.77	408.26	6.24	-42.53
CC(C)C1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C(C2=CC=CC=C2)O1	REAL300020152294	1	48	-1.0	-48.77	408.20	6.22	-42.55
CCCCCCCCCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152295	0	56	-1.0	-40.37	446.65	10.24	-30.13
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CC(C)OC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152310	0	43	-1.0	-54.61	372.43	8.06	-46.55
CC(C)OC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152310	1	43	-1.0	-54.60	372.37	8.04	-46.56
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CC(=O)NC1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020152312	0	40	-1.0	-62.90	349.34	4.56	-58.34
CC(=O)NC1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020152312	1	40	-1.0	-62.92	349.28	4.54	-58.38
CC(=O)NC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020152313	0	40	-1.0	-48.03	349.18	4.56	-43.47
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COCCOC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152315	0	44	-1.0	-50.86	371.42	6.17	-44.69
COCCOC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152315	1	44	-1.0	-50.87	371.36	6.14	-44.73
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COCCOC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020152317	0	44	-1.0	-45.66	373.57	5.05	-40.61
COCCOC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020152317	1	44	-1.0	-45.65	373.52	5.03	-40.62
CCSC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020152318	0	39	-1.0	-41.37	348.76	5.82	-35.55
CCSC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020152318	1	39	-1.0	-41.36	348.70	5.79	-35.57
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CS(=O)(=O)C1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C2C=CC=CN21	REAL300020152350	1	42	-1.0	-61.54	376.49	3.31	-58.23
CCCCN(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152351	0	50	-1.0	-42.20	404.71	8.45	-33.75
CCCCN(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152351	1	50	-1.0	-42.21	404.65	8.42	-33.79
CCCN(CC)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152352	0	50	-1.0	-41.96	405.02	8.60	-33.36
CCCN(CC)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152352	1	50	-1.0	-41.97	404.96	8.58	-33.39
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O=C(CCC1=CSC=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152355	1	35	-1.0	-51.22	318.87	4.04	-47.18
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C2C(C(C)C)=NOC2=N1	REAL300020152356	0	46	-1.0	-51.34	388.67	4.27	-47.07
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C2C(C(C)C)=NOC2=N1	REAL300020152356	1	46	-1.0	-51.36	388.62	4.25	-47.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300020152357	0	51	0.0	-69.51	398.90	7.59	-61.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300020152357	1	51	0.0	-63.52	398.47	7.52	-56.00
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300020152357	1	51	0.0	-69.56	398.86	7.57	-61.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300020152357	1	51	0.0	-63.54	398.41	7.50	-56.04
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C1=CC=CC=C1)N1CCSCC1	REAL300020152358	0	49	-1.0	-40.20	404.97	7.26	-32.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C1=CC=CC=C1)N1CCSCC1	REAL300020152358	1	49	-1.0	-40.20	404.91	7.23	-32.97
CC1=NN(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Br	REAL300020152359	0	36	-1.0	-43.81	327.91	4.67	-39.14
CC1=NN(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Br	REAL300020152359	1	36	-1.0	-43.78	327.85	4.64	-39.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C2CC2)C=CS1	REAL300020152360	0	37	-1.0	-52.57	326.37	6.66	-45.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C2CC2)C=CS1	REAL300020152360	1	37	-1.0	-52.60	326.31	6.64	-45.96
N#CC1=CC=C(NCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152361	0	39	-1.0	-43.28	346.87	4.94	-38.34
N#CC1=CC=C(NCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152361	1	39	-1.0	-43.27	346.81	4.92	-38.35
NC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020152362	0	36	-1.0	-44.48	320.24	0.62	-43.86
NC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020152362	1	36	-1.0	-44.46	320.18	0.60	-43.86
CC1=NN(C2=CC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)C=C1	REAL300020152363	0	43	-1.0	-66.73	368.93	7.34	-59.39
CC1=NN(C2=CC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)C=C1	REAL300020152363	1	43	-1.0	-66.74	368.88	7.31	-59.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300020152364	0	41	-1.0	-41.80	357.71	6.88	-34.92
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300020152364	1	41	-1.0	-41.78	357.65	6.86	-34.92
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O=C(CC1=C2C=CC=CC2=NN1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152367	0	39	-1.0	-47.52	340.13	4.80	-42.72
O=C(CC1=NNC2=CC=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152367	1	39	-1.0	-46.06	340.33	4.81	-41.25
O=C(CC1=C2C=CC=CC2=NN1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152367	1	39	-1.0	-47.50	340.07	4.77	-42.73
O=C(CC1=NNC2=CC=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152367	1	39	-1.0	-46.02	340.27	4.79	-41.23
CN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=NC=C2)=N1	REAL300020152368	0	42	-1.0	-48.97	362.14	5.14	-43.83
CN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=NC=C2)=N1	REAL300020152368	1	42	-1.0	-48.94	362.08	5.12	-43.82
CC(C)C(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1CC(C)OC(C)C1	REAL300020152369	0	54	-1.0	-43.46	407.60	5.05	-38.41
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CC(OCC1CCCO1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152419	1	44	-1.0	-45.70	363.59	4.67	-41.03
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CC1=CC=C(CCCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152422	0	48	-1.0	-41.61	398.97	9.26	-32.35
CC1=CC=C(CCCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152422	1	48	-1.0	-41.61	399.03	9.28	-32.33
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O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152426	0	39	-1.0	-64.00	354.46	7.38	-56.62
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COC1=CC=C2CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)COC2=C1	REAL300020152427	0	45	-1.0	-43.89	372.58	5.40	-38.49
COC1=CC=C2CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)COC2=C1	REAL300020152427	1	45	-1.0	-43.91	372.52	5.37	-38.54
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NS(=O)(=O)C1=CN(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020152432	0	41	-1.0	-55.38	372.00	-0.92	-56.30
NS(=O)(=O)C1=CN(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020152432	1	41	-1.0	-55.36	371.95	-0.95	-56.31
CN1C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C1=CC=C(F)C=C1	REAL300020152433	0	44	-1.0	-49.96	371.11	8.45	-41.51
CN1C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C1=CC=C(F)C=C1	REAL300020152433	1	44	-1.0	-49.93	371.06	8.42	-41.51
CC(C)CN1N=CC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN=C21	REAL300020152434	0	47	-1.0	-52.01	394.68	7.12	-44.89
CC(C)CN1N=CC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN=C21	REAL300020152434	1	47	-1.0	-52.02	394.62	7.09	-44.93
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(C(C)(C)C)=N1	REAL300020152435	0	44	-1.0	-46.53	374.57	5.89	-40.64
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C(C)(C)C)=N1	REAL300020152435	1	44	-1.0	-46.50	374.52	5.86	-40.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C(=O)NC2CC2)CC1	REAL300020152436	0	41	-1.0	-41.84	356.42	3.74	-38.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C(=O)NC2CC2)CC1	REAL300020152436	1	41	-1.0	-41.82	356.37	3.71	-38.11
CC1=NN=C2C=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN12	REAL300020152437	0	38	-1.0	-44.93	331.44	6.66	-38.27
CC1=NN=C2C=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN12	REAL300020152437	1	38	-1.0	-44.96	331.39	6.64	-38.32
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300020152438	0	40	-1.0	-40.81	354.93	7.35	-33.46
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300020152438	1	40	-1.0	-40.80	354.87	7.32	-33.48
CC1=CN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C12	REAL300020152439	0	43	-1.0	-45.46	368.30	8.39	-37.07
CC1=CN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C12	REAL300020152439	1	43	-1.0	-45.49	368.25	8.37	-37.12
CCCCN(CC)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152440	0	53	-1.0	-42.03	426.52	9.40	-32.63
CCCCN(CC)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152440	1	53	-1.0	-42.01	426.46	9.37	-32.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CNC2=CC=C([N+](=O)[O-])C=C12	REAL300020152441	0	39	-1.0	-74.08	349.20	6.22	-67.86
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNC2=CC=C([N+](=O)[O-])C=C12	REAL300020152441	1	39	-1.0	-74.05	349.14	6.20	-67.85
NS(=O)(=O)C1=CN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020152442	0	38	-1.0	-55.19	349.88	-1.46	-56.65
NS(=O)(=O)C1=CN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020152442	1	38	-1.0	-55.16	349.82	-1.48	-56.64
CCOC(CN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1)OCC	REAL300020152443	0	49	-1.0	-45.61	412.86	3.64	-41.97
CCOC(CN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1)OCC	REAL300020152443	1	49	-1.0	-45.58	412.81	3.61	-41.97
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O=C(CSCC(=O)C1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152444	1	42	-1.0	-50.49	377.72	7.47	-43.02
CCN1C=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C21	REAL300020152445	0	46	-1.0	-45.38	389.44	8.92	-36.46
CCN1C=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C21	REAL300020152445	1	46	-1.0	-45.42	389.39	8.90	-36.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1OC1=CC=CN=C1	REAL300020152446	0	43	-1.0	-46.78	369.22	7.65	-39.13
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1OC1=CC=CN=C1	REAL300020152446	1	43	-1.0	-46.79	369.16	7.63	-39.16
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020152447	0	42	-1.0	-48.38	375.68	8.10	-40.28
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020152447	1	42	-1.0	-48.38	375.74	8.12	-40.26
O=C(CCC1=NC(C2=NNC=N2)=NO1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152448	0	40	-1.0	-59.43	360.90	2.75	-56.68
O=C(CCC1=NC(C2=NNC=N2)=NO1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152448	1	40	-1.0	-59.43	360.96	2.78	-56.65
CC(OCC1CCCCO1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152449	0	47	-1.0	-45.67	381.71	5.52	-40.15
CC(OCC1CCCCO1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152449	1	47	-1.0	-45.71	381.77	5.54	-40.17
CC(=O)CCC1=CC=C(OC(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152450	0	51	-1.0	-46.48	426.10	8.75	-37.73
CC(=O)CCC1=CC=C(OC(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152450	1	51	-1.0	-46.52	426.16	8.78	-37.74
CC1=CC=C(C2=NC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)S2)C(C)=C1	REAL300020152451	0	45	-1.0	-51.70	396.84	7.91	-43.79
CC1=CC=C(C2=NC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)S2)C(C)=C1	REAL300020152451	1	45	-1.0	-51.68	396.78	7.88	-43.80
CC1=C2OC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC2=CC=C1	REAL300020152452	0	39	-1.0	-50.32	341.25	6.62	-43.70
CC1=C2OC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=CC=C1	REAL300020152452	1	39	-1.0	-50.32	341.19	6.60	-43.72
CC(C)(C)C1=CC=C(C2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCC2)C=C1	REAL300020152453	0	55	-1.0	-40.34	427.28	10.29	-30.05
CC(C)(C)C1=CC=C(C2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCC2)C=C1	REAL300020152453	1	55	-1.0	-40.33	427.22	10.26	-30.07
CC(=O)C1=CC=CC(OC(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020152454	0	45	-1.0	-68.87	382.66	7.11	-61.76
CC(=O)C1=CC=CC(OC(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020152454	1	45	-1.0	-68.86	382.61	7.08	-61.78
CN1N=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C1CC1	REAL300020152455	0	40	-1.0	-44.85	337.04	5.19	-39.66
CN1N=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C1CC1	REAL300020152455	1	40	-1.0	-44.87	336.98	5.16	-39.71
N#CC1=CC=C(N2CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2=O)C=C1	REAL300020152456	0	45	-1.0	-45.94	388.52	6.89	-39.05
N#CC1=CC=C(N2CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2=O)C=C1	REAL300020152456	1	45	-1.0	-45.93	388.58	6.91	-39.02
CC1=CC=CC=C1C(C)(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152457	0	45	-1.0	-41.08	354.38	7.43	-33.65
CC1=CC=CC=C1C(C)(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152457	1	45	-1.0	-41.09	354.32	7.41	-33.68
COC1=CC=CC=C1C(C)(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152458	0	46	-1.0	-49.55	369.10	7.35	-42.20
COC1=CC=CC=C1C(C)(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152458	1	46	-1.0	-49.55	369.05	7.32	-42.23
CC(=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020152459	0	43	-1.0	-48.84	381.87	8.53	-40.31
CC(=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020152459	1	43	-1.0	-48.88	381.93	8.55	-40.33
O=C(CC1=CC(Cl)=CC=C1Cl)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152460	0	36	-1.0	-41.14	344.20	7.18	-33.96
O=C(CC1=CC(Cl)=CC=C1Cl)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152460	1	36	-1.0	-41.17	344.14	7.16	-34.01
NC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020152461	0	34	-1.0	-53.75	318.49	1.44	-52.31
NC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020152461	1	34	-1.0	-53.75	318.44	1.41	-52.34
NS(=O)(=O)CC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020152462	0	41	-1.0	-59.81	366.61	1.21	-58.60
NS(=O)(=O)CC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020152462	1	41	-1.0	-59.83	366.55	1.19	-58.64
CN(C)C1=CC=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020152463	0	40	-1.0	-52.44	337.05	4.23	-48.21
CN(C)C1=CC=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020152463	1	40	-1.0	-52.46	337.00	4.21	-48.25
CC1=NN(C)C(C)=C1C(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152464	0	45	-1.0	-59.12	364.75	5.36	-53.76
CC1=NN(C)C(C)=C1C(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152464	1	45	-1.0	-59.15	364.69	5.34	-53.81
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2COCC2=C1	REAL300020152465	0	38	-1.0	-54.13	324.60	4.85	-49.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2COCC2=C1	REAL300020152465	1	38	-1.0	-54.16	324.54	4.83	-49.33
COC1=CC=C(C(=O)CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152466	0	45	-1.0	-43.27	384.09	6.16	-37.11
COC1=CC=C(C(=O)CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152466	1	45	-1.0	-43.25	384.15	6.18	-37.07
COC1=CC(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300020152467	0	43	-1.0	-55.69	377.60	6.77	-48.92
COC1=CC(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300020152467	1	43	-1.0	-55.67	377.66	6.79	-48.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN2C=NN=C2C=C1	REAL300020152468	0	35	-1.0	-47.06	309.59	6.84	-40.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN2C=NN=C2C=C1	REAL300020152468	1	35	-1.0	-47.07	309.54	6.81	-40.26
CC(C)C1=CC=C(OCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152469	0	49	-1.0	-41.22	403.24	7.77	-33.45
CC(C)C1=CC=C(OCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152469	1	49	-1.0	-41.17	403.30	7.79	-33.38
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CC(C)(C)CC(=O)N1CCCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152472	0	52	-1.0	-53.91	407.12	7.35	-46.56
CC(C)(C)CC(=O)N1CCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152472	1	52	-1.0	-53.93	407.17	7.38	-46.55
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COC1=CC=C(CCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152475	1	46	-1.0	-44.10	385.63	7.12	-36.98
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CC(CC1=CC=CC(F)=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152477	1	42	-1.0	-40.81	356.61	7.56	-33.25
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CCN(C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1)C(C)C	REAL300020152483	1	50	-1.0	-41.97	393.71	8.11	-33.86
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CCN(CC)CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020152495	1	47	-1.0	-49.66	386.53	4.88	-44.78
CCN(CC)CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020152495	1	47	-1.0	-49.68	386.59	4.91	-44.77
CN(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020152496	0	41	-1.0	-40.93	349.31	5.10	-35.83
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CCCN(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152502	0	47	-1.0	-42.22	383.21	7.67	-34.55
CCCN(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152502	1	47	-1.0	-42.21	383.16	7.64	-34.57
CC1=NC([N+](=O)[O-])=CN1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152503	0	38	-1.0	-52.71	345.27	6.77	-45.94
CC1=NC([N+](=O)[O-])=CN1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152503	1	38	-1.0	-52.70	345.21	6.74	-45.96
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CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152505	0	54	0.0	-80.22	423.46	9.56	-70.66
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152505	1	54	0.0	-80.09	424.47	9.57	-70.52
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152505	1	54	0.0	-80.23	423.41	9.53	-70.70
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152505	1	54	0.0	-80.09	424.41	9.54	-70.55
CCCN(CC)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020152506	0	49	-1.0	-42.52	402.23	8.04	-34.48
CCCN(CC)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020152506	1	49	-1.0	-42.56	402.17	8.02	-34.54
COC1=CC=CC2=C1OCC(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=C2	REAL300020152507	0	43	-1.0	-54.34	363.83	5.92	-48.42
COC1=CC=CC2=C1OCC(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=C2	REAL300020152507	1	43	-1.0	-54.36	363.77	5.89	-48.47
CC1=NOC(Cl)=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152508	0	35	-1.0	-50.60	325.75	4.83	-45.77
CC1=NOC(Cl)=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152508	1	35	-1.0	-50.64	325.70	4.81	-45.83
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CC1=NN(CC2=CC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)C(C)=C1	REAL300020152510	0	49	-1.0	-43.73	410.25	8.12	-35.61
CC1=NN(CC2=CC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)C(C)=C1	REAL300020152510	1	49	-1.0	-43.72	410.19	8.10	-35.62
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CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152512	0	50	-1.0	-47.19	413.72	10.60	-36.59
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CC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCCC1	REAL300020152515	0	48	-1.0	-42.07	367.65	7.64	-34.43
CC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCCC1	REAL300020152515	1	48	-1.0	-42.10	367.59	7.61	-34.49
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COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300020152524	0	39	-1.0	-42.85	344.07	6.29	-36.56
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300020152524	1	39	-1.0	-42.85	344.01	6.27	-36.58
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CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1)C(C)C	REAL300020152532	1	54	0.0	-77.51	406.64	8.66	-68.85
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1)C(C)C	REAL300020152532	1	54	0.0	-77.50	414.96	9.04	-68.46
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1)C(C)C	REAL300020152532	1	54	0.0	-77.48	406.59	8.63	-68.85
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CC1CCC(NS(=O)(=O)CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020152535	1	50	-1.0	-49.80	405.66	2.83	-46.97
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CC1=C(C2=CC=C(F)C=C2)SC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020152540	0	43	-1.0	-41.01	386.19	8.96	-32.05
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020152540	1	43	-1.0	-41.00	386.14	8.94	-32.06
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CC1=NC(CN2CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2)=CS1	REAL300020152546	1	50	-1.0	-43.41	413.73	4.49	-38.92
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2)=CS1	REAL300020152546	1	51	0.0	-67.07	416.68	6.90	-60.17
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CCC(C)C(=O)N1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020152548	0	52	-1.0	-47.19	406.67	6.50	-40.69
CCC(C)C(=O)N1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020152548	1	52	-1.0	-47.19	406.73	6.52	-40.67
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CC(C)COC(=O)N1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020152561	0	53	-1.0	-45.03	425.41	6.81	-38.22
CC(C)COC(=O)N1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020152561	1	53	-1.0	-45.01	425.47	6.84	-38.17
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CC(=O)NC(C)(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152613	0	39	-1.0	-44.07	323.33	2.44	-41.63
CC(=O)NC(C)(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152613	1	39	-1.0	-44.02	323.27	2.41	-41.61
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CC(C)(C)C1=NC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020152615	1	44	-1.0	-43.81	379.98	5.73	-38.08
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O=C(CN1C2=CC=CC=C2CCCC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152619	0	47	-1.0	-51.24	383.39	7.60	-43.64
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CC1=NSC2=NC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020152625	0	37	-1.0	-41.75	335.83	4.38	-37.37
CC1=NSC2=NC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020152625	1	37	-1.0	-41.73	335.77	4.36	-37.37
COC1=CC(Br)=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152626	0	37	-1.0	-54.53	337.22	6.64	-47.89
COC1=CC(Br)=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152626	1	37	-1.0	-54.55	337.16	6.62	-47.93
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CC1=NOC(C)=C1C(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152628	0	41	-1.0	-42.66	340.52	5.42	-37.24
CC1=NOC(C)=C1C(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152628	1	41	-1.0	-42.63	340.46	5.39	-37.24
CS(=O)(=O)C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCC1	REAL300020152629	0	42	-1.0	-44.41	352.09	2.68	-41.73
CS(=O)(=O)C1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCC1	REAL300020152629	1	42	-1.0	-44.45	352.03	2.66	-41.79
CC1=C([N+](=O)[O-])C(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020152630	0	43	-1.0	-40.45	375.55	8.33	-32.12
CC1=C([N+](=O)[O-])C(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020152630	1	43	-1.0	-40.42	375.50	8.31	-32.11
CC(C)OC1=CC=CC=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152631	0	46	-1.0	-43.16	381.33	7.14	-36.02
CC(C)OC1=CC=CC=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152631	1	46	-1.0	-43.14	381.27	7.12	-36.02
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COC1=CC=C(CCCCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152639	1	52	-1.0	-43.86	428.63	8.69	-35.17
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CCCC(=O)N1CSCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152645	0	44	-1.0	-47.19	374.01	6.31	-40.88
CCCC(=O)N1CSCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152645	1	44	-1.0	-47.23	373.95	6.29	-40.94
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CC(C)C(SCC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152648	0	49	-1.0	-42.49	407.80	9.63	-32.86
CC(C)C(SCC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152648	1	49	-1.0	-42.55	407.86	9.65	-32.90
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CCC1=CC=C(C(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152650	0	45	-1.0	-53.28	371.83	8.21	-45.07
CCC1=CC=C(C(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152650	1	45	-1.0	-53.30	371.77	8.18	-45.12
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CC(C)(C)C(=O)N1CSCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152652	1	47	-1.0	-46.86	380.87	6.05	-40.81
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CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020152656	0	45	-1.0	-49.40	382.48	8.12	-41.28
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CC(C)CCC(=O)NCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152704	1	45	-1.0	-41.74	372.70	3.78	-37.96
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CCCN(CC)C(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152838	1	52	-1.0	-58.53	419.57	7.98	-50.55
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152839	0	42	-1.0	-49.73	374.20	8.22	-41.51
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152839	1	42	-1.0	-49.74	374.26	8.24	-41.50
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COC(=O)NC(C)(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152842	0	40	-1.0	-41.85	334.16	1.75	-40.10
COC(=O)NC(C)(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152842	1	40	-1.0	-41.79	334.10	1.72	-40.07
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COC(=O)NCCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152849	0	40	-1.0	-44.98	346.35	1.77	-43.21
COC(=O)NCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152849	1	40	-1.0	-45.00	346.29	1.75	-43.25
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1CCN(C)CC1	REAL300020152850	0	46	-1.0	-43.28	356.83	1.41	-41.87
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N1CCN(C)CC1	REAL300020152850	1	46	-1.0	-43.28	356.88	1.44	-41.84
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N1CC[NH+](C)CC1	REAL300020152850	1	47	0.0	-63.83	361.76	3.81	-60.02
COC(=O)N(C)CCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152851	0	43	-1.0	-48.18	366.26	4.37	-43.81
COC(=O)N(C)CCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152851	1	43	-1.0	-48.16	366.20	4.35	-43.81
COC1=CC=C(NC(=O)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152852	0	41	-1.0	-46.35	355.47	3.09	-43.26
COC1=CC=C(NC(=O)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152852	1	41	-1.0	-46.36	355.42	3.07	-43.29
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CN1C=C(C2=NC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)S2)C=N1	REAL300020152854	0	39	-1.0	-53.96	360.24	4.27	-49.69
CN1C=C(C2=NC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)S2)C=N1	REAL300020152854	1	39	-1.0	-53.95	360.18	4.24	-49.71
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(C2=CC(F)=CC=C2F)=NO1	REAL300020152855	0	41	-1.0	-50.59	367.28	6.98	-43.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(C2=CC(F)=CC=C2F)=NO1	REAL300020152855	1	41	-1.0	-50.56	367.33	7.01	-43.55
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(=O)N(C2=CC=C(F)C=C2)C1	REAL300020152856	0	44	-1.0	-44.24	374.22	6.54	-37.70
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(=O)N(C2=CC=C(F)C=C2)C1	REAL300020152856	1	44	-1.0	-44.25	374.27	6.57	-37.68
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152857	0	37	-2.0	-88.15	338.28	2.44	-85.71
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CCS(=O)(=O)NC(CCSC)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152858	0	47	-1.0	-44.94	417.07	2.38	-42.56
CCS(=O)(=O)NC(CCSC)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152858	1	47	-1.0	-44.97	417.12	2.41	-42.56
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CC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)C1=CC=CC=C1	REAL300020152913	0	44	-1.0	-43.74	370.06	7.38	-36.36
CC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(=O)C1=CC=CC=C1	REAL300020152913	1	44	-1.0	-43.78	370.01	7.36	-36.42
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CC(C)COC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152916	0	46	-1.0	-48.21	379.40	8.40	-39.81
CC(C)COC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152916	1	46	-1.0	-48.19	379.34	8.38	-39.81
CCOC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020152917	0	39	-1.0	-39.96	353.63	3.78	-36.18
CCOC1=NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020152917	1	39	-1.0	-39.93	353.58	3.75	-36.18
CS(=O)(=O)CCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152918	0	38	-1.0	-54.86	338.35	1.59	-53.27
CS(=O)(=O)CCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152918	1	38	-1.0	-54.84	338.29	1.56	-53.28
CCCC(CC1CCCCC1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152919	0	54	-1.0	-40.05	406.05	8.83	-31.22
CCCC(CC1CCCCC1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152919	1	54	-1.0	-40.06	406.10	8.86	-31.20
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CSC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020152922	0	34	-1.0	-49.20	316.08	4.74	-44.46
CSC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020152922	1	34	-1.0	-49.22	316.02	4.72	-44.50
CCC(C)C(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020152923	0	48	-1.0	-43.70	373.69	8.08	-35.62
CCC(C)C(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020152923	1	48	-1.0	-43.64	373.63	8.06	-35.58
CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152924	0	42	-1.0	-40.24	350.25	7.51	-32.73
CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152924	1	42	-1.0	-40.21	350.19	7.49	-32.72
CC1(C)CCC(C)(C)C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020152925	0	55	-1.0	-41.14	418.17	9.72	-31.42
CC1(C)CCC(C)(C)C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020152925	1	55	-1.0	-41.15	418.12	9.70	-31.45
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CC(OC1=CC=C(F)C=C1Cl)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152927	0	40	-1.0	-44.32	362.26	7.20	-37.12
CC(OC1=CC=C(F)C=C1Cl)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152927	1	40	-1.0	-44.30	362.31	7.23	-37.07
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COC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020152931	0	35	-1.0	-41.40	310.36	0.26	-41.14
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CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)[NH+]1CCCCCC1	REAL300020152934	0	48	0.0	-56.91	358.27	6.42	-50.49
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COCCOC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020152936	0	44	-1.0	-55.93	373.50	5.07	-50.86
COCCOC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020152936	1	44	-1.0	-55.95	373.44	5.04	-50.91
CCN1N=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC1=O	REAL300020152937	0	38	-1.0	-48.39	332.90	3.56	-44.83
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CN1CCCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152938	1	41	-1.0	-40.18	327.80	3.35	-36.83
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152938	1	42	0.0	-57.27	330.43	5.58	-51.69
C[N@H+]1CCCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152938	1	42	0.0	-61.93	321.26	5.38	-56.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(O)C1=CC=CC=C1	REAL300020152939	0	37	-1.0	-41.16	321.16	4.21	-36.95
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(O)C1=CC=CC=C1	REAL300020152939	1	37	-1.0	-41.17	321.10	4.18	-36.99
CCCCCC(O)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152940	0	45	-1.0	-43.48	369.89	4.67	-38.81
CCCCCC(O)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152940	1	45	-1.0	-43.48	369.83	4.64	-38.84
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152941	0	49	-1.0	-50.25	405.74	4.77	-45.48
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152941	1	49	-1.0	-50.27	405.80	4.79	-45.48
CC1=CC(OC(F)F)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020152942	0	37	-1.0	-55.36	340.42	5.83	-49.53
CC1=CC(OC(F)F)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020152942	1	37	-1.0	-55.30	340.37	5.81	-49.49
CC1CCCCC1OCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152943	0	46	-1.0	-43.06	367.37	6.88	-36.18
CC1CCCCC1OCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152943	1	46	-1.0	-43.06	367.43	6.90	-36.16
CC(CSC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152944	0	43	-1.0	-40.77	370.63	8.07	-32.70
CC(CSC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152944	1	43	-1.0	-40.73	370.57	8.04	-32.69
O=C(CC1=CC=CC=C1OC(F)F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152945	0	40	-1.0	-44.90	351.31	5.88	-39.02
O=C(CC1=CC=CC=C1OC(F)F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152945	1	40	-1.0	-44.91	351.25	5.85	-39.06
O=C(CC1CCOCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152946	0	40	-1.0	-43.39	323.86	4.13	-39.26
O=C(CC1CCOCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152946	1	40	-1.0	-43.40	323.80	4.11	-39.29
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152947	0	52	-1.0	-42.82	426.81	6.94	-35.88
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152947	1	52	-1.0	-42.82	426.87	6.97	-35.85
CC1CCC(N2CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2=O)CC1	REAL300020152948	0	53	-1.0	-43.67	415.46	7.16	-36.51
CC1CCC(N2CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2=O)CC1	REAL300020152948	1	53	-1.0	-43.66	415.52	7.18	-36.48
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300020152949	0	43	-1.0	-46.28	379.56	4.99	-41.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300020152949	1	43	-1.0	-46.24	379.51	4.96	-41.28
CCC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152950	0	45	-1.0	-40.97	365.49	8.25	-32.72
CCC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152950	1	45	-1.0	-40.96	365.44	8.23	-32.73
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(C2=COC=C2)=N1	REAL300020152951	0	36	-1.0	-51.41	339.00	4.39	-47.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(C2=COC=C2)=N1	REAL300020152951	1	36	-1.0	-51.41	338.94	4.37	-47.04
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(S(=O)(=O)C(F)F)C=CS1	REAL300020152952	0	36	-1.0	-47.82	341.64	3.30	-44.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(S(=O)(=O)C(F)F)C=CS1	REAL300020152952	1	36	-1.0	-47.79	341.70	3.32	-44.47
CCCC(CC1CCCC1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152953	0	51	-1.0	-41.73	395.27	8.76	-32.97
CCCC(CC1CCCC1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152953	1	51	-1.0	-41.73	395.21	8.73	-33.00
CC(C)C1=CC=C(C2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCCC2)C=C1	REAL300020152954	0	55	-1.0	-41.69	428.06	10.61	-31.08
CC(C)C1=CC=C(C2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCCC2)C=C1	REAL300020152954	1	55	-1.0	-41.68	428.00	10.59	-31.09
CC1=CC=CC=C1N1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020152955	0	43	-1.0	-43.47	365.27	7.66	-35.81
CC1=CC=CC=C1N1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020152955	1	43	-1.0	-43.40	365.21	7.63	-35.77
CC1=CC(C)=NN1C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020152956	0	46	-1.0	-46.74	395.99	7.94	-38.80
CC1=CC(C)=NN1C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020152956	1	46	-1.0	-46.68	395.93	7.91	-38.77
COC(=O)NC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)C	REAL300020152957	0	43	-1.0	-41.61	354.91	2.40	-39.21
COC(=O)NC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)C	REAL300020152957	1	43	-1.0	-41.57	354.86	2.38	-39.19
COC1=CC=C(C=O)C(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020152958	0	43	-1.0	-53.08	372.52	6.08	-47.00
COC1=CC=C(C=O)C(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020152958	1	43	-1.0	-53.10	372.58	6.11	-46.99
COC1=CC=CC=C1CC(C)(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152959	0	49	-1.0	-53.49	389.11	7.44	-46.05
COC1=CC=CC=C1CC(C)(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152959	1	49	-1.0	-53.46	389.05	7.42	-46.04
O=C(C=CC1=CC=C(N2CCOCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152960	0	50	-1.0	-42.90	406.79	5.54	-37.36
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CC(C)CC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020153312	1	49	-1.0	-43.28	407.73	6.73	-36.55
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CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C2CCCC2)=N1	REAL300020153317	1	45	-1.0	-49.78	378.52	6.59	-43.19
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CCCCCCC(C)(CCC)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153320	0	56	-1.0	-43.38	429.02	9.30	-34.08
CCCCCCC(C)(CCC)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153320	1	56	-1.0	-43.42	429.08	9.33	-34.09
COC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153321	0	37	-1.0	-51.46	347.79	6.99	-44.47
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CC(C)C(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(Cl)=C1	REAL300020153322	1	45	-1.0	-39.63	380.22	8.82	-30.81
CCCCCC(C)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153323	0	47	-1.0	-42.29	373.90	7.61	-34.68
CCCCCC(C)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153323	1	47	-1.0	-42.31	373.85	7.58	-34.73
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CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020153325	1	41	-2.0	-97.84	360.79	3.18	-94.66
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)NC(C2=CC=CO2)=N1	REAL300020153325	1	42	-1.0	-52.46	363.62	4.32	-48.14
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)NC(C2=CC=CO2)=N1	REAL300020153325	1	42	-1.0	-52.48	363.56	4.29	-48.19
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)NC(C(C)(C)C)=N1	REAL300020153326	0	47	-1.0	-47.51	381.36	5.20	-42.31
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)NC(C(C)(C)C)=N1	REAL300020153326	1	47	-1.0	-47.47	381.30	5.17	-42.30
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)NC(C(C)C)=N1	REAL300020153327	0	44	-1.0	-48.23	364.18	4.61	-43.62
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)NC(C(C)C)=N1	REAL300020153327	1	44	-1.0	-48.28	364.12	4.58	-43.70
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC(C2=CC=CC=C2O)=C1	REAL300020153328	1	41	-1.0	-54.16	361.34	2.94	-51.22
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)C=C1	REAL300020153329	0	44	-2.0	-124.58	386.28	4.08	-120.50
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)C=C1	REAL300020153329	1	44	-2.0	-124.61	386.22	4.05	-120.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300020153330	0	40	-2.0	-120.86	363.20	4.85	-116.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300020153330	1	40	-2.0	-120.83	363.15	4.82	-116.01
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC2=O)=N1	REAL300020153331	0	44	-2.0	-110.30	392.34	6.29	-104.01
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=O)=N1	REAL300020153331	1	44	-2.0	-110.32	392.29	6.27	-104.05
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020153332	0	40	-2.0	-128.90	361.30	4.93	-123.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020153332	1	40	-2.0	-128.89	361.24	4.91	-123.98
CC1=CC(F)=CC2=C1NC=C(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C2=O	REAL300020153333	0	42	-1.0	-54.82	361.95	6.53	-48.29
CC1=CC(F)=CC2=C1NC=C(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C2=O	REAL300020153333	1	42	-1.0	-54.80	361.89	6.50	-48.30
COC1=CC=C(C(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020153334	0	47	-1.0	-44.43	387.66	5.96	-38.47
COC1=CC=C(C(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020153334	1	47	-1.0	-44.47	387.61	5.94	-38.53
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153335	0	47	-1.0	-55.86	399.84	6.71	-49.15
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153335	1	47	-1.0	-55.87	399.90	6.73	-49.14
CC1=CC2=C(C=C1C)OC(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C2	REAL300020153336	0	44	-1.0	-44.57	366.28	7.57	-37.00
CC1=CC2=C(C=C1C)OC(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C2	REAL300020153336	1	44	-1.0	-44.56	366.22	7.55	-37.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=CC=C1OC1CCCC1	REAL300020153337	0	47	-1.0	-55.81	397.24	9.40	-46.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=CC=C1OC1CCCC1	REAL300020153337	1	47	-1.0	-55.75	397.19	9.37	-46.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1OC(F)F	REAL300020153338	0	37	-1.0	-53.86	332.08	6.36	-47.50
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1OC(F)F	REAL300020153338	1	37	-1.0	-53.89	332.02	6.34	-47.55
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020153339	0	36	-1.0	-58.84	314.57	6.31	-52.53
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020153339	1	36	-1.0	-58.85	314.51	6.28	-52.57
NC(=O)C1=CNC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153340	0	35	-1.0	-51.99	312.44	0.12	-51.87
NC(=O)C1=CNC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153340	1	35	-1.0	-52.01	312.39	0.09	-51.92
NC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1[N+](=O)[O-]	REAL300020153341	0	37	-1.0	-55.16	322.98	4.63	-50.53
NC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1[N+](=O)[O-]	REAL300020153341	1	37	-1.0	-55.18	322.92	4.60	-50.58
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)NC2=CC=CC=C21	REAL300020153342	0	42	-1.0	-49.70	349.63	5.50	-44.20
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)NC2=CC=CC=C21	REAL300020153342	1	42	-1.0	-49.67	349.57	5.47	-44.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(F)C=CC=C1Br	REAL300020153343	0	33	-1.0	-46.51	318.38	6.00	-40.51
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(F)C=CC=C1Br	REAL300020153343	1	33	-1.0	-46.49	318.32	5.98	-40.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC1C1=CC=CC(F)=C1F	REAL300020153344	0	40	-1.0	-42.15	345.02	7.59	-34.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC1C1=CC=CC(F)=C1F	REAL300020153344	1	40	-1.0	-42.09	344.97	7.56	-34.53
CC(C)C(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020153345	0	45	-1.0	-43.76	367.95	7.87	-35.89
CC(C)C(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020153345	1	45	-1.0	-43.80	367.89	7.84	-35.96
O=C(CCCCC1=CC=C(Cl)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153346	0	45	-1.0	-41.46	394.30	9.10	-32.36
O=C(CCCCC1=CC=C(Cl)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153346	1	45	-1.0	-41.48	394.36	9.13	-32.35
CCCOC1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020153347	0	49	-1.0	-41.64	407.45	8.04	-33.60
CCCOC1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020153347	1	49	-1.0	-41.64	407.51	8.07	-33.57
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2NC=CC2=CC=C1	REAL300020153348	1	37	-1.0	-42.55	317.67	5.72	-36.83
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O=C(CC1=CC(F)=CC=C1F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153349	1	36	-1.0	-42.38	325.04	6.30	-36.08
N#CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020153350	0	31	-1.0	-40.88	302.36	5.14	-35.74
N#CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020153350	1	31	-1.0	-40.89	302.30	5.12	-35.77
CCC(OC1=CC=CC(C)=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153351	0	46	-1.0	-43.16	374.99	7.92	-35.24
CCC(OC1=CC=CC(C)=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153351	1	46	-1.0	-43.15	374.93	7.90	-35.25
CC(=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020153352	0	43	-1.0	-43.34	381.45	8.53	-34.81
CC(=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020153352	1	43	-1.0	-43.38	381.51	8.55	-34.83
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153353	0	45	-1.0	-48.47	359.52	3.31	-45.16
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153353	1	45	-1.0	-48.50	359.58	3.33	-45.17
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1SCCC2=C1C=CS2	REAL300020153354	0	38	-1.0	-52.30	342.94	6.69	-45.61
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1SCCC2=C1C=CS2	REAL300020153354	1	38	-1.0	-52.30	342.89	6.66	-45.64
CC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(=O)OC(C)(C)C	REAL300020153355	0	49	-1.0	-47.07	399.03	4.27	-42.80
CC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(=O)OC(C)(C)C	REAL300020153355	1	49	-1.0	-47.12	399.09	4.29	-42.83
CC(C)N1C=C(Br)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153356	0	40	-1.0	-53.22	355.02	7.31	-45.91
CC(C)N1C=C(Br)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153356	1	40	-1.0	-53.17	354.96	7.29	-45.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1CN1C=NC=N1	REAL300020153357	0	42	-1.0	-57.99	356.72	8.87	-49.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1CN1C=NC=N1	REAL300020153357	1	42	-1.0	-57.94	356.66	8.85	-49.09
CC(C)(OC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153358	0	43	-1.0	-42.32	348.84	6.90	-35.42
CC(C)(OC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153358	1	43	-1.0	-42.31	348.78	6.87	-35.44
CC(C)(C)OC(=O)N(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)CC1CC1	REAL300020153359	0	53	-1.0	-47.63	427.58	7.73	-39.90
CC(C)(C)OC(=O)N(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)CC1CC1	REAL300020153359	1	53	-1.0	-47.64	427.63	7.76	-39.88
NC(=O)CN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020153360	0	36	-1.0	-58.52	326.76	-1.07	-59.59
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CCC(OC1=CC=CC=C1F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153441	0	43	-1.0	-46.75	359.82	7.32	-39.43
CCC(OC1=CC=CC=C1F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153441	1	43	-1.0	-46.75	359.76	7.30	-39.45
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CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2C=C1	REAL300020153446	1	45	-1.0	-42.76	374.79	8.99	-33.77
CCCCCC(C)(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153447	0	47	-1.0	-40.10	370.42	7.31	-32.79
CCCCCC(C)(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153447	1	47	-1.0	-40.08	370.36	7.28	-32.80
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CCC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020153452	0	45	-1.0	-40.37	387.53	8.43	-31.94
CCC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020153452	1	45	-1.0	-40.39	387.59	8.46	-31.93
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020153453	0	53	-1.0	-48.56	420.22	6.13	-42.43
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020153453	1	53	-1.0	-48.60	420.28	6.15	-42.45
CCC(C)OC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020153454	0	46	-1.0	-52.31	378.52	7.22	-45.09
CCC(C)OC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020153454	1	46	-1.0	-52.32	378.47	7.20	-45.12
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COC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020153457	0	38	-1.0	-45.00	339.55	4.40	-40.60
COC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020153457	1	38	-1.0	-44.97	339.49	4.38	-40.59
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020153458	0	43	-2.0	-122.02	384.49	5.80	-116.22
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020153458	1	43	-2.0	-122.01	384.43	5.77	-116.24
O=C(CCOC1CCOCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153459	0	44	-1.0	-41.01	361.79	3.55	-37.46
O=C(CCOC1CCOCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153459	1	44	-1.0	-41.00	361.84	3.57	-37.43
CC1=CC(O)=CC(=O)N1CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153460	0	43	-1.0	-50.03	364.60	2.84	-47.19
CC1=CC(O)=CC(=O)N1CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153460	1	43	-1.0	-50.02	364.66	2.86	-47.16
CC1=CC(O)=CC(=O)N1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153461	0	40	-1.0	-52.00	344.64	2.43	-49.57
CC1=CC(O)=CC(=O)N1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153461	1	40	-1.0	-52.00	344.59	2.41	-49.59
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020153462	0	45	-1.0	-57.46	389.58	4.27	-53.19
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020153462	1	45	-1.0	-57.44	389.64	4.29	-53.15
CC1=CC(F)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1[N+](=O)[O-]	REAL300020153463	0	38	-1.0	-62.68	341.93	8.08	-54.60
CC1=CC(F)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1[N+](=O)[O-]	REAL300020153463	1	38	-1.0	-62.65	341.87	8.05	-54.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)C1=CNC(=O)NC1=O	REAL300020153464	0	36	-1.0	-54.19	329.81	0.48	-53.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)C1=CNC(=O)NC1=O	REAL300020153464	1	36	-1.0	-54.19	329.87	0.51	-53.68
COC1=CC=CC(C(C)CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153465	0	46	-1.0	-42.58	377.56	6.76	-35.82
COC1=CC=CC(C(C)CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153465	1	46	-1.0	-42.59	377.51	6.73	-35.86
CC(=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1OC(F)F	REAL300020153466	0	44	-1.0	-52.50	382.12	7.17	-45.33
CC(=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1OC(F)F	REAL300020153466	1	44	-1.0	-52.47	382.06	7.15	-45.32
CNS(=O)(=O)C1=CSC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153467	0	38	-1.0	-59.74	358.68	0.69	-59.05
CNS(=O)(=O)C1=CSC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153467	1	38	-1.0	-59.75	358.62	0.67	-59.08
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(OC2=CC=CC=C2)O1	REAL300020153468	0	41	-1.0	-40.89	364.09	7.59	-33.30
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(OC2=CC=CC=C2)O1	REAL300020153468	1	41	-1.0	-40.87	364.03	7.56	-33.31
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NC2=CC=CC=C21	REAL300020153469	0	41	-1.0	-44.52	341.90	6.52	-38.00
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NC2=CC=CC=C21	REAL300020153469	1	41	-1.0	-44.53	341.84	6.50	-38.03
CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)O1	REAL300020153470	0	41	-1.0	-53.39	369.31	0.57	-52.82
CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)O1	REAL300020153470	1	41	-1.0	-53.36	369.25	0.54	-52.82
CC1=C(Br)SC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153471	0	33	-1.0	-48.33	321.86	5.89	-42.44
CC1=C(Br)SC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153471	1	33	-1.0	-48.32	321.80	5.87	-42.45
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(F)C=C1F	REAL300020153472	0	36	-1.0	-41.28	319.85	6.34	-34.94
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(F)C=C1F	REAL300020153472	1	36	-1.0	-41.31	319.80	6.32	-34.99
COC1=CC=C(OC)C(C(F)(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153473	0	44	-1.0	-43.64	379.52	5.01	-38.63
COC1=CC=C(OC)C(C(F)(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153473	1	44	-1.0	-43.61	379.58	5.03	-38.58
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL300020153474	0	45	-1.0	-42.32	392.06	6.45	-35.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL300020153474	1	45	-1.0	-42.28	392.01	6.42	-35.86
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(F)C(F)=C1F	REAL300020153475	0	33	-1.0	-59.69	305.73	5.76	-53.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(F)C(F)=C1F	REAL300020153475	1	33	-1.0	-59.67	305.68	5.74	-53.93
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)OC2=CC=CC=C21	REAL300020153476	0	41	-1.0	-51.67	348.03	7.58	-44.09
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)OC2=CC=CC=C21	REAL300020153476	1	41	-1.0	-51.69	347.98	7.56	-44.13
NC(=O)C1=CC=C(OCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020153477	0	44	-1.0	-45.88	377.49	2.65	-43.23
NC(=O)C1=CC=C(OCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020153477	1	44	-1.0	-45.87	377.55	2.67	-43.20
CC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(=O)C1=CC=CC(F)=C1	REAL300020153478	0	44	-1.0	-42.72	376.83	7.41	-35.31
CC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)C1=CC=CC(F)=C1	REAL300020153478	1	44	-1.0	-42.76	376.89	7.43	-35.33
CC1=CC=C2NC=C(CCC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2=C1	REAL300020153479	0	46	-1.0	-54.05	387.91	7.77	-46.28
CC1=CC=C2NC=C(CCC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2=C1	REAL300020153479	1	46	-1.0	-54.06	387.86	7.75	-46.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300020153480	0	43	-1.0	-44.26	379.72	7.80	-36.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300020153480	1	43	-1.0	-44.26	379.66	7.77	-36.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=CC=C1OC(F)F	REAL300020153481	0	37	-1.0	-51.17	342.41	6.81	-44.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=CC=C1OC(F)F	REAL300020153481	1	37	-1.0	-51.18	342.36	6.78	-44.40
CC1=NOC(C(F)F)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153482	0	35	-1.0	-52.53	323.12	4.54	-47.99
CC1=NOC(C(F)F)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153482	1	35	-1.0	-52.58	323.06	4.51	-48.07
O=C(CCC1=CC=C(Br)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153483	0	39	-1.0	-40.59	355.89	7.64	-32.95
O=C(CCC1=CC=C(Br)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153483	1	39	-1.0	-40.60	355.94	7.67	-32.93
COC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153484	0	40	-1.0	-41.33	356.45	5.78	-35.55
COC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153484	1	40	-1.0	-41.33	356.51	5.81	-35.52
CCC(OC1=CC=CC=C1Cl)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153485	0	43	-1.0	-44.88	369.62	7.79	-37.09
CCC(OC1=CC=CC=C1Cl)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153485	1	43	-1.0	-44.88	369.56	7.76	-37.12
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL300020153486	0	43	-1.0	-55.00	371.13	6.77	-48.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL300020153486	1	43	-1.0	-54.98	371.07	6.74	-48.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Br)C=CO1	REAL300020153487	0	30	-1.0	-52.03	291.49	4.18	-47.85
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Br)C=CO1	REAL300020153487	1	30	-1.0	-52.02	291.43	4.15	-47.87
COCCOC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153488	0	44	-1.0	-57.35	388.14	6.69	-50.66
COCCOC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153488	1	44	-1.0	-57.36	388.08	6.66	-50.70
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2O1	REAL300020153489	0	42	-1.0	-46.46	359.93	7.78	-38.68
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2O1	REAL300020153489	1	42	-1.0	-46.46	359.87	7.76	-38.70
CNS(=O)(=O)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153490	0	34	-1.0	-60.47	309.66	-1.32	-61.79
CNS(=O)(=O)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153490	1	34	-1.0	-60.48	309.61	-1.35	-61.83
NC(=O)C1=CC=CC(OCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153491	0	44	-1.0	-48.04	377.57	2.62	-45.42
NC(=O)C1=CC=CC(OCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153491	1	44	-1.0	-48.05	377.62	2.65	-45.40
CN1C(=O)NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1=O	REAL300020153492	0	36	-1.0	-49.86	315.24	2.26	-47.60
CN1C(=O)NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1=O	REAL300020153492	1	36	-1.0	-49.88	315.18	2.23	-47.65
O=C(CCC1CCOC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153493	0	40	-1.0	-42.55	328.67	4.03	-38.52
O=C(CCC1CCOC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153493	1	40	-1.0	-42.52	328.61	4.00	-38.52
N#CC1=CSC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153494	0	31	-1.0	-50.18	301.39	4.97	-45.21
N#CC1=CSC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153494	1	31	-1.0	-50.19	301.34	4.94	-45.25
CC1=CC=C(OCCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020153495	0	49	-1.0	-44.54	402.94	7.82	-36.72
CC1=CC=C(OCCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020153495	1	49	-1.0	-44.54	403.00	7.84	-36.70
CC(C)C1=NN(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153496	0	42	-1.0	-43.58	349.47	5.33	-38.25
CC(C)C1=NN(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153496	1	42	-1.0	-43.54	349.41	5.31	-38.23
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C(C2=CN(C)N=C2)O1	REAL300020153497	0	42	-1.0	-45.20	370.14	2.56	-42.64
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C(C2=CN(C)N=C2)O1	REAL300020153497	1	42	-1.0	-45.20	370.08	2.53	-42.67
CC(C)C1=NN=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020153498	0	43	-1.0	-53.03	368.99	1.30	-51.73
CC(C)C1=NN=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020153498	1	43	-1.0	-53.06	369.05	1.33	-51.73
CC(C)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C	REAL300020153499	0	42	-1.0	-54.23	354.34	5.11	-49.12
CC(C)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C	REAL300020153499	1	42	-1.0	-54.25	354.29	5.08	-49.17
COCCCOC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020153500	0	47	-1.0	-55.25	395.05	5.67	-49.58
COCCCOC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020153500	1	47	-1.0	-55.26	394.99	5.64	-49.62
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(CC2=CC=CC=C2)CC1	REAL300020153501	0	43	-1.0	-44.09	363.75	8.18	-35.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(CC2=CC=CC=C2)CC1	REAL300020153501	1	43	-1.0	-44.11	363.69	8.16	-35.95
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)C(F)F	REAL300020153502	0	29	-1.0	-38.56	276.44	3.74	-34.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)C(F)F	REAL300020153502	1	29	-1.0	-38.57	276.39	3.72	-34.85
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC=NC=C1Cl	REAL300020153503	0	31	-1.0	-48.43	293.60	4.17	-44.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC=NC=C1Cl	REAL300020153503	1	31	-1.0	-48.40	293.54	4.14	-44.26
CC(CS(C)(=O)=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153504	0	38	-1.0	-46.97	330.50	1.57	-45.40
CC(CS(C)(=O)=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153504	1	38	-1.0	-46.92	330.44	1.55	-45.37
COC1=CSC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153505	0	34	-1.0	-48.55	310.97	3.90	-44.65
COC1=CSC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153505	1	34	-1.0	-48.53	310.92	3.88	-44.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300020153506	0	53	-1.0	-55.74	404.16	9.81	-45.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300020153506	1	53	-1.0	-55.74	404.11	9.78	-45.96
CC(=O)N1CCC(C)(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020153507	0	43	-1.0	-54.00	351.25	4.28	-49.72
CC(=O)N1CCC(C)(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020153507	1	43	-1.0	-54.01	351.20	4.26	-49.75
CSCC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020153508	0	40	-1.0	-41.39	360.02	7.46	-33.93
CSCC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020153508	1	40	-1.0	-41.38	359.96	7.43	-33.95
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(Cl)=C1[N+](=O)[O-]	REAL300020153509	0	35	-1.0	-50.50	331.84	7.84	-42.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(Cl)=C1[N+](=O)[O-]	REAL300020153509	1	35	-1.0	-50.49	331.78	7.81	-42.68
COC1=CC=C(C(C)CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020153510	0	46	-1.0	-41.86	377.55	6.77	-35.09
COC1=CC=C(C(C)CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020153510	1	46	-1.0	-41.85	377.50	6.74	-35.11
CCSC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153511	0	40	-1.0	-52.01	362.51	7.93	-44.08
CCSC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153511	1	40	-1.0	-51.98	362.45	7.90	-44.08
N#CCSC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153512	0	38	-1.0	-48.17	349.61	7.16	-41.01
N#CCSC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153512	1	38	-1.0	-48.18	349.55	7.13	-41.05
CCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020153513	0	41	-1.0	-44.98	350.91	7.37	-37.61
CCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020153513	1	41	-1.0	-44.99	350.86	7.35	-37.64
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CC1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020153517	0	39	-1.0	-41.97	337.31	5.98	-35.99
CC1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020153517	1	39	-1.0	-41.95	337.26	5.95	-36.00
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CC1=CC=C(CCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020153519	1	42	-1.0	-42.78	368.18	7.69	-35.09
CC1(C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)NC(=O)NC1=O	REAL300020153520	0	45	-1.0	-45.83	384.32	2.61	-43.22
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COC1=C2OC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=C(C=O)C=C1	REAL300020153522	1	42	-1.0	-62.39	370.40	4.94	-57.45
CC(=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(Cl)=C1	REAL300020153523	0	40	-1.0	-42.44	359.57	8.08	-34.36
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COC(=O)COC1=C(C)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020153524	0	49	-1.0	-56.29	418.47	8.04	-48.25
COC(=O)COC1=C(C)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020153524	1	49	-1.0	-56.30	418.41	8.01	-48.29
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COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020153544	0	37	-1.0	-41.26	324.30	4.90	-36.36
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020153544	1	37	-1.0	-41.27	324.25	4.88	-36.39
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CC(C)CC(C)OCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153572	0	48	-1.0	-39.88	388.48	6.15	-33.73
CC(C)CC(C)OCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153572	1	48	-1.0	-39.90	388.54	6.17	-33.73
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CCN(CC)C(=O)CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153575	0	45	-1.0	-42.99	372.38	5.45	-37.54
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CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153579	1	44	-1.0	-48.57	390.64	0.29	-48.28
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CSC1=NC(=O)NC(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153583	1	39	-1.0	-56.14	354.36	2.00	-54.14
CN(C)CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=C1	REAL300020153584	0	41	-1.0	-43.43	353.78	4.09	-39.34
CN(C)CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=C1	REAL300020153584	1	41	-1.0	-43.48	353.83	4.12	-39.36
C[NH+](C)CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=C1	REAL300020153584	1	42	0.0	-49.95	354.43	6.57	-43.38
COC1=CC=C2OCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC2=C1	REAL300020153585	0	43	-1.0	-54.55	364.01	5.35	-49.20
COC1=CC=C2OCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=C1	REAL300020153585	1	43	-1.0	-54.50	363.95	5.33	-49.17
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CC1=CC=CC(C)=C1NC(=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153588	0	43	-1.0	-46.00	362.93	5.48	-40.52
CC1=CC=CC(C)=C1NC(=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153588	1	43	-1.0	-45.98	362.87	5.46	-40.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2CCCC2)C=C1	REAL300020153589	0	43	-1.0	-43.50	356.73	6.01	-37.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2CCCC2)C=C1	REAL300020153589	1	43	-1.0	-43.49	356.67	5.98	-37.51
CC1=NC(CC(C)C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020153590	0	44	-1.0	-49.72	367.21	5.92	-43.80
CC1=NC(CC(C)C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020153590	1	44	-1.0	-49.76	367.16	5.90	-43.86
CC(C)CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCC1	REAL300020153591	0	48	-1.0	-48.27	366.04	7.33	-40.94
CC(C)CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCC1	REAL300020153591	1	48	-1.0	-48.27	365.98	7.30	-40.97
CC(C)CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1CCCCC1=O	REAL300020153592	0	52	-1.0	-53.76	404.49	8.37	-45.39
CC(C)CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N1CCCCC1=O	REAL300020153592	1	52	-1.0	-53.82	404.54	8.39	-45.43
CC(CSC1=CC=C(F)C=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153593	0	43	-1.0	-46.38	377.45	8.12	-38.26
CC(CSC1=CC=C(F)C=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153593	1	43	-1.0	-46.36	377.51	8.14	-38.22
CCC1=NOC(CC)=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153594	0	44	-1.0	-46.76	372.56	6.53	-40.23
CCC1=NOC(CC)=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153594	1	44	-1.0	-46.76	372.50	6.51	-40.25
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153595	0	44	-1.0	-43.06	370.32	7.27	-35.79
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153595	1	44	-1.0	-43.06	370.26	7.24	-35.82
CC1=NC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)S1	REAL300020153596	0	38	-1.0	-45.49	338.43	4.61	-40.88
CC1=NC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)S1	REAL300020153596	1	38	-1.0	-45.49	338.38	4.59	-40.90
CN1C=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C21	REAL300020153597	0	46	-1.0	-44.07	388.98	8.82	-35.25
CN1C=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C21	REAL300020153597	1	46	-1.0	-44.10	388.92	8.80	-35.30
O=C(CCC1=CC=C2OCCC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153598	0	44	-1.0	-42.69	370.52	6.89	-35.80
O=C(CCC1=CC=C2OCCC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153598	1	44	-1.0	-42.68	370.47	6.86	-35.82
CCCCCC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)C	REAL300020153599	0	50	-1.0	-42.48	386.66	8.27	-34.21
CCCCCC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)C	REAL300020153599	1	50	-1.0	-42.48	386.60	8.24	-34.24
COC1=C(F)C=CC(F)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153600	0	37	-1.0	-46.66	336.48	5.10	-41.56
COC1=C(F)C=CC(F)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153600	1	37	-1.0	-46.65	336.43	5.08	-41.57
C[NH+](C)C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1	REAL300020153601	0	42	0.0	-64.34	322.97	5.89	-58.45
CN(C)C1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC1	REAL300020153601	1	41	-1.0	-41.75	322.10	3.19	-38.56
CN(C)C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1	REAL300020153601	1	41	-1.0	-41.76	322.16	3.21	-38.55
CC(O)C1=CN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020153602	0	39	-1.0	-51.62	340.63	0.39	-51.23
CC(O)C1=CN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020153602	1	39	-1.0	-51.60	340.57	0.37	-51.23
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NN1C1CCCC1	REAL300020153603	0	43	-1.0	-50.50	353.59	6.22	-44.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NN1C1CCCC1	REAL300020153603	1	43	-1.0	-50.50	353.53	6.19	-44.31
CC(C)N1N=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153604	0	39	-1.0	-42.10	329.69	4.88	-37.22
CC(C)N1N=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153604	1	39	-1.0	-42.12	329.63	4.85	-37.27
COC1=CC=C(C(C)(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020153605	0	46	-1.0	-44.92	373.27	6.44	-38.48
COC1=CC=C(C(C)(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020153605	1	46	-1.0	-44.89	373.21	6.42	-38.47
CCOCCC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCC1	REAL300020153606	0	49	-1.0	-44.19	388.23	6.25	-37.94
CCOCCC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCC1	REAL300020153606	1	49	-1.0	-44.17	388.17	6.23	-37.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=CC(OCC(F)F)=C1	REAL300020153607	0	39	-1.0	-46.63	348.03	4.28	-42.35
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=CC(OCC(F)F)=C1	REAL300020153607	1	39	-1.0	-46.64	347.98	4.25	-42.39
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153608	0	45	-1.0	-40.07	381.01	8.39	-31.68
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153608	1	45	-1.0	-40.05	380.95	8.36	-31.69
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020153609	0	44	-1.0	-46.72	383.72	2.16	-44.56
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020153609	1	44	-1.0	-46.76	383.78	2.18	-44.58
CCC1=NC(C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)=NN1	REAL300020153610	0	45	-1.0	-56.66	387.09	6.92	-49.74
CCC1=NC(C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=NN1	REAL300020153610	1	45	-1.0	-56.68	387.03	6.89	-49.79
COC(=O)C1=C(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)N1	REAL300020153611	0	43	-1.0	-44.16	373.21	4.97	-39.19
COC(=O)C1=C(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)N1	REAL300020153611	1	43	-1.0	-44.25	373.15	4.95	-39.30
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CC1=CC=CC(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153613	1	39	-1.0	-41.57	331.29	6.47	-35.10
CC1CCN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020153614	0	44	-1.0	-41.07	349.84	4.27	-36.80
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CC(C)NC(=O)N1CCC[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153618	1	48	-1.0	-51.28	391.36	4.36	-46.92
CC1(C)CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020153619	0	45	-1.0	-51.17	348.15	6.68	-44.49
CC1(C)CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020153619	1	45	-1.0	-51.21	348.10	6.66	-44.55
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COC(=O)C(C)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153620	1	38	-1.0	-40.88	325.10	4.61	-36.27
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COC1=CC=C(C2=CN=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)C=C1	REAL300020153624	0	46	-1.0	-42.81	387.44	6.47	-36.34
COC1=CC=C(C2=CN=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)C=C1	REAL300020153624	1	46	-1.0	-42.80	387.38	6.45	-36.35
CCC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153625	0	39	-1.0	-51.39	322.91	6.97	-44.42
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COC1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1F	REAL300020153631	0	37	-1.0	-57.88	334.15	4.82	-53.06
COC1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1F	REAL300020153631	1	37	-1.0	-57.87	334.10	4.79	-53.08
CCC(CC)N1N=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153632	0	45	-1.0	-42.01	362.96	6.76	-35.25
CCC(CC)N1N=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153632	1	45	-1.0	-42.02	362.90	6.74	-35.28
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COC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020153635	0	36	-1.0	-47.89	329.79	4.39	-43.50
COC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020153635	1	36	-1.0	-47.85	329.74	4.37	-43.48
CC1=CC(F)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020153636	0	36	-1.0	-53.86	319.85	6.34	-47.52
CC1=CC(F)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020153636	1	36	-1.0	-53.84	319.79	6.32	-47.52
CCOCCC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1	REAL300020153637	0	46	-1.0	-42.67	372.47	5.59	-37.08
CCOCCC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC1	REAL300020153637	1	46	-1.0	-42.66	372.42	5.57	-37.09
CCCOC1=CC=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153638	0	46	-1.0	-51.55	386.11	7.26	-44.29
CCCOC1=CC=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153638	1	46	-1.0	-51.55	386.05	7.24	-44.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(OCC(F)(F)F)=C1	REAL300020153639	0	40	-1.0	-45.26	359.52	6.25	-39.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(OCC(F)(F)F)=C1	REAL300020153639	1	40	-1.0	-45.25	359.46	6.22	-39.03
COCCCS(=O)(=O)NCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153640	0	44	-1.0	-51.93	386.02	-0.50	-52.43
COCCCS(=O)(=O)NCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153640	1	44	-1.0	-51.92	386.08	-0.48	-52.40
CCC(CC)N1C=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020153641	0	45	-1.0	-53.03	372.73	6.23	-46.80
CCC(CC)N1C=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020153641	1	45	-1.0	-53.06	372.67	6.20	-46.86
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC2=NC=CN21	REAL300020153642	1	36	-1.0	-46.67	310.18	5.90	-40.77
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153643	0	47	-1.0	-50.31	408.16	6.52	-43.79
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153643	1	47	-1.0	-50.33	408.21	6.55	-43.78
CC(C)(C)C(NS(C)(=O)=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153644	0	46	-1.0	-54.35	378.17	1.34	-53.01
CC(C)(C)C(NS(C)(=O)=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153644	1	46	-1.0	-54.38	378.11	1.32	-53.06
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(SC2CCOC2=O)C=C1	REAL300020153645	1	44	-1.0	-57.94	381.05	7.72	-50.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)C1=CC=CC=N1	REAL300020153646	0	35	-1.0	-48.99	316.45	5.24	-43.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)C1=CC=CC=N1	REAL300020153646	1	35	-1.0	-48.98	316.40	5.21	-43.77
COC1=CC=C(C(C)(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020153647	0	50	-1.0	-52.40	402.54	6.35	-46.05
COC1=CC=C(C(C)(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020153647	1	50	-1.0	-52.39	402.48	6.33	-46.06
CC1=CC=CC(C2=CN=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=C1	REAL300020153648	0	45	-1.0	-41.85	379.39	7.84	-34.01
CC1=CC=CC(C2=CN=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=C1	REAL300020153648	1	45	-1.0	-41.85	379.34	7.82	-34.03
COC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020153649	0	39	-1.0	-43.57	347.89	6.24	-37.33
COC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020153649	1	39	-1.0	-43.57	347.83	6.22	-37.35
CC1(C2=CC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)NC(=O)NC1=O	REAL300020153650	0	45	-1.0	-44.50	383.05	2.29	-42.21
CC1(C2=CC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)NC(=O)NC1=O	REAL300020153650	1	45	-1.0	-44.49	383.00	2.27	-42.22
CC1(C)C(=O)NC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020153651	0	44	-1.0	-42.88	371.87	5.06	-37.82
CC1(C)C(=O)NC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020153651	1	44	-1.0	-42.88	371.82	5.04	-37.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(F)C=CC(OC(F)F)=C1F	REAL300020153652	0	37	-1.0	-55.56	343.91	5.09	-50.47
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(F)C=CC(OC(F)F)=C1F	REAL300020153652	1	37	-1.0	-55.53	343.85	5.06	-50.47
CC(C)OC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020153653	0	42	-1.0	-41.91	357.98	4.14	-37.77
CC(C)OC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020153653	1	42	-1.0	-41.89	357.93	4.12	-37.77
O=C(CSC1=NC2=CC=CC=C2N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153654	0	40	-1.0	-43.90	361.20	5.65	-38.25
O=C(CSC1=NC2=CC=CC=C2N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153654	1	40	-1.0	-43.92	361.15	5.63	-38.29
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(O)=CC([N+](=O)[O-])=C1	REAL300020153655	1	36	-1.0	-43.43	327.76	3.34	-40.09
N#CC1=CN=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020153656	0	33	-1.0	-49.69	319.19	4.74	-44.95
N#CC1=CN=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020153656	1	33	-1.0	-49.70	319.14	4.72	-44.98
CC1=CC=CC(F)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153657	0	36	-1.0	-44.87	317.84	6.02	-38.85
CC1=CC=CC(F)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153657	1	36	-1.0	-44.85	317.78	5.99	-38.86
CNC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020153658	0	39	-1.0	-42.47	344.42	2.16	-40.31
CNC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020153658	1	39	-1.0	-42.45	344.37	2.14	-40.31
CC1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020153659	0	39	-1.0	-42.15	348.88	7.34	-34.81
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CCC(OC1CCCCC1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153692	1	49	-1.0	-43.62	388.91	7.66	-35.96
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COCCC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCC1	REAL300020153695	0	46	-1.0	-43.93	366.37	5.29	-38.64
COCCC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCC1	REAL300020153695	1	46	-1.0	-43.93	366.32	5.26	-38.67
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COC(=O)CC(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153697	0	38	-1.0	-40.71	323.81	4.56	-36.15
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CC(C)(C)OC(=O)N[C@H](C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)(C)C	REAL300020153698	1	55	-1.0	-42.07	422.58	5.58	-36.49
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CC(C)C1=NN=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020153701	1	41	-1.0	-50.98	360.50	1.21	-49.77
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CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(Br)S1	REAL300020153703	1	33	-1.0	-40.75	319.11	6.00	-34.75
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CC(OC1CCCCCC1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153707	0	49	-1.0	-42.30	379.82	7.30	-35.00
CC(OC1CCCCCC1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153707	1	49	-1.0	-42.30	379.88	7.32	-34.98
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CC(CNC(=O)OC(C)(C)C)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153711	1	52	-1.0	-45.52	415.73	4.55	-40.97
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CCC1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020153713	0	40	-1.0	-43.50	331.51	5.33	-38.17
CCC1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020153713	1	40	-1.0	-43.48	331.45	5.31	-38.17
CC(C)CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1	REAL300020153714	0	45	-1.0	-42.69	347.58	6.94	-35.75
CC(C)CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC1	REAL300020153714	1	45	-1.0	-42.66	347.52	6.91	-35.75
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COC1=CC=CC(OC)=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153716	0	44	-1.0	-44.92	369.55	4.97	-39.95
COC1=CC=CC(OC)=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153716	1	44	-1.0	-44.92	369.49	4.95	-39.97
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CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020153718	0	47	-1.0	-46.23	388.42	3.55	-42.68
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020153718	1	47	-1.0	-46.22	388.48	3.58	-42.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1Br	REAL300020153719	0	33	-1.0	-51.90	321.60	6.69	-45.21
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CC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1F	REAL300020153720	0	36	-1.0	-59.75	313.48	6.26	-53.49
CC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1F	REAL300020153720	1	36	-1.0	-59.76	313.42	6.24	-53.52
CC(C)(C)C1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020153721	0	48	-1.0	-41.90	389.43	8.56	-33.34
CC(C)(C)C1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020153721	1	48	-1.0	-41.90	389.38	8.54	-33.36
CC(C)OC1=CN=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153722	0	42	-1.0	-40.41	353.71	4.65	-35.76
CC(C)OC1=CN=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153722	1	42	-1.0	-40.42	353.65	4.63	-35.79
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153723	0	52	-1.0	-44.78	413.03	4.54	-40.24
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153723	1	52	-1.0	-44.78	413.09	4.56	-40.22
CC1=NN(C)C(C)=C1OCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153724	0	43	-1.0	-57.97	370.09	5.00	-52.97
CC1=NN(C)C(C)=C1OCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153724	1	43	-1.0	-57.98	370.03	4.98	-53.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN2C(=NN=C2C(F)F)C=C1	REAL300020153725	0	38	-1.0	-44.14	344.59	6.81	-37.33
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN2C(=NN=C2C(F)F)C=C1	REAL300020153725	1	38	-1.0	-44.11	344.53	6.79	-37.32
CS(=O)(=O)N1CCN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020153726	0	46	-1.0	-51.16	383.40	0.11	-51.05
CS(=O)(=O)N1CCN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020153726	1	46	-1.0	-51.18	383.46	0.13	-51.05
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(C2=CC=CN=C2)N=C1	REAL300020153727	0	39	-1.0	-44.06	344.59	4.94	-39.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(C2=CC=CN=C2)N=C1	REAL300020153727	1	39	-1.0	-44.03	344.53	4.91	-39.12
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153728	0	45	-1.0	-48.25	387.74	9.06	-39.19
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153728	1	45	-1.0	-48.26	387.69	9.03	-39.23
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153729	0	48	-1.0	-45.71	398.27	8.27	-37.44
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153729	1	48	-1.0	-45.68	398.21	8.24	-37.44
CC1CCCC(OCCCCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020153730	0	58	-1.0	-42.22	453.85	9.02	-33.20
CC1CCCC(OCCCCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020153730	1	58	-1.0	-42.26	453.90	9.04	-33.22
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153731	0	50	-1.0	-43.65	416.51	0.84	-42.81
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153731	1	50	-1.0	-43.67	416.57	0.87	-42.80
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1CCOCC1	REAL300020153732	0	47	-1.0	-45.56	383.89	4.85	-40.71
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1CCOCC1	REAL300020153732	1	47	-1.0	-45.58	383.83	4.82	-40.76
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153733	0	43	-1.0	-49.52	380.51	8.10	-41.42
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153733	1	43	-1.0	-49.49	380.45	8.08	-41.41
CCCN1N=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C1CC1	REAL300020153734	0	46	-1.0	-42.30	379.91	6.86	-35.44
CCCN1N=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C1CC1	REAL300020153734	1	46	-1.0	-42.26	379.86	6.84	-35.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(O)CCC1=CC=CC=C1	REAL300020153735	0	43	-1.0	-41.63	365.64	5.66	-35.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(O)CCC1=CC=CC=C1	REAL300020153735	1	43	-1.0	-41.63	365.58	5.64	-35.99
CSCCC(O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153736	0	37	-1.0	-41.83	329.57	3.08	-38.75
CSCCC(O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153736	1	37	-1.0	-41.84	329.52	3.06	-38.78
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@H](O)C1=CC=CC=C1Cl	REAL300020153737	0	37	-1.0	-49.24	328.31	4.79	-44.45
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@H](O)C1=CC=CC=C1Cl	REAL300020153737	1	37	-1.0	-49.25	328.26	4.77	-44.48
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H](O)C1=CC=CC=C1	REAL300020153738	0	37	-1.0	-40.92	321.28	4.19	-36.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H](O)C1=CC=CC=C1	REAL300020153738	1	37	-1.0	-40.92	321.22	4.17	-36.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@H](O)C1=CC=CC=C1	REAL300020153739	0	37	-1.0	-52.12	321.16	4.21	-47.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@H](O)C1=CC=CC=C1	REAL300020153739	1	37	-1.0	-52.12	321.10	4.18	-47.94
COC1=CC=CC(C(O)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153740	0	41	-1.0	-42.44	350.66	3.51	-38.93
COC1=CC=CC(C(O)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153740	1	41	-1.0	-42.46	350.61	3.48	-38.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300020153741	0	35	-1.0	-40.62	329.21	6.60	-34.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300020153741	1	35	-1.0	-40.63	329.16	6.58	-34.05
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC(=O)[N-]C1=O	REAL300020153742	0	31	-2.0	-102.97	290.62	-2.20	-105.17
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC(=O)[N-]C1=O	REAL300020153742	1	31	-2.0	-102.93	290.56	-2.22	-105.15
COC(=O)CC(C)(C)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153743	0	44	-1.0	-45.43	352.59	5.65	-39.78
COC(=O)CC(C)(C)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153743	1	44	-1.0	-45.40	352.53	5.63	-39.77
CN1C=NC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020153744	0	39	-1.0	-48.39	336.91	6.89	-41.50
CN1C=NC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020153744	1	39	-1.0	-48.40	336.85	6.86	-41.54
CCN1N=CC=C1C=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153745	0	40	-1.0	-52.48	346.72	5.27	-47.21
CCN1N=CC=C1C=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153745	1	40	-1.0	-52.47	346.66	5.24	-47.23
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC(Cl)=CC=C1F	REAL300020153746	0	32	-1.0	-52.36	307.24	4.34	-48.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC(Cl)=CC=C1F	REAL300020153746	1	32	-1.0	-52.34	307.19	4.32	-48.02
COC(=O)C1=CC=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153747	0	42	-1.0	-46.49	368.05	6.89	-39.60
COC(=O)C1=CC=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153747	1	42	-1.0	-46.50	367.99	6.87	-39.63
CC1=CC(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020153748	0	42	-1.0	-41.39	352.72	7.15	-34.24
CC1=CC(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020153748	1	42	-1.0	-41.39	352.67	7.13	-34.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300020153749	0	35	-1.0	-56.08	332.64	6.70	-49.38
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300020153749	1	35	-1.0	-56.03	332.58	6.67	-49.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC=C1[N+](=O)[O-]	REAL300020153750	0	32	-1.0	-64.27	295.22	3.53	-60.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC=C1[N+](=O)[O-]	REAL300020153750	1	32	-1.0	-64.26	295.16	3.51	-60.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NC(OC2CCC2)=C1	REAL300020153751	0	43	-1.0	-41.88	364.10	4.78	-37.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NC(OC2CCC2)=C1	REAL300020153751	1	43	-1.0	-41.87	364.04	4.76	-37.11
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1CC(C)C	REAL300020153752	0	45	-1.0	-44.31	370.54	6.21	-38.10
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1CC(C)C	REAL300020153752	1	45	-1.0	-44.29	370.48	6.19	-38.10
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153753	0	44	-1.0	-52.23	379.84	8.04	-44.19
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153753	1	44	-1.0	-52.19	379.79	8.02	-44.17
CSC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020153754	0	37	-1.0	-40.66	334.54	6.60	-34.06
CSC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020153754	1	37	-1.0	-40.65	334.49	6.57	-34.08
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300020153755	0	37	-1.0	-40.38	354.69	5.18	-35.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300020153755	1	37	-1.0	-40.38	354.75	5.20	-35.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(Br)=C1[O-]	REAL300020153756	0	33	-2.0	-117.60	314.30	5.64	-111.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(Br)=C1[O-]	REAL300020153756	1	33	-2.0	-117.59	314.24	5.62	-111.97
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2N=CNC2=N1	REAL300020153757	0	35	-1.0	-45.13	311.10	4.52	-40.61
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2N=CNC2=N1	REAL300020153757	1	35	-1.0	-45.10	311.04	4.50	-40.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300020153758	0	45	-1.0	-49.24	385.96	6.83	-42.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300020153758	1	45	-1.0	-49.28	385.91	6.81	-42.47
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2N=S=NC2=C1	REAL300020153759	0	34	-1.0	-42.53	312.72	3.89	-38.64
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2N=S=NC2=C1	REAL300020153759	1	34	-1.0	-42.56	312.67	3.86	-38.70
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020153760	0	38	-1.0	-62.61	347.35	0.58	-62.03
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020153760	1	38	-1.0	-62.59	347.29	0.56	-62.03
CN(C)CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NO1	REAL300020153761	0	40	-1.0	-41.48	345.46	2.49	-38.99
CN(C)CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020153761	1	40	-1.0	-41.49	345.51	2.52	-38.97
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O=C(CSCC(F)(F)F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153762	1	33	-1.0	-44.25	316.66	5.02	-39.23
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C(Br)=C1	REAL300020153813	1	33	-1.0	-39.05	324.70	6.62	-32.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2N=CC(Br)=CN2N=C1	REAL300020153814	0	35	-1.0	-59.20	334.24	5.07	-54.13
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2N=CC(Br)=CN2N=C1	REAL300020153814	1	35	-1.0	-59.18	334.18	5.05	-54.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(O)CCSCC1	REAL300020153815	0	38	-1.0	-43.51	320.45	2.73	-40.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(O)CCSCC1	REAL300020153815	1	38	-1.0	-43.48	320.39	2.70	-40.78
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(C2CCCO2)=N1	REAL300020153816	0	40	-1.0	-42.77	354.61	3.56	-39.21
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(C2CCCO2)=N1	REAL300020153816	1	40	-1.0	-42.74	354.55	3.54	-39.20
CS(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020153817	0	36	-1.0	-61.70	342.71	2.06	-59.64
CS(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020153817	1	36	-1.0	-61.70	342.66	2.03	-59.67
CCN1CCOCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153818	0	42	-1.0	-42.43	337.78	1.76	-40.67
CCN1CCOCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153818	1	42	-1.0	-42.41	337.72	1.74	-40.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC2=CC=CC=C2S1	REAL300020153819	0	35	-1.0	-42.77	323.72	5.08	-37.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC2=CC=CC=C2S1	REAL300020153819	1	35	-1.0	-42.80	323.66	5.05	-37.75
CCOC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153820	0	43	-1.0	-47.68	370.77	6.65	-41.03
CCOC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153820	1	43	-1.0	-47.68	370.72	6.63	-41.05
CC(=O)C1=C(C)NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(C)C	REAL300020153821	0	48	-1.0	-56.74	391.24	6.21	-50.53
CC(=O)C1=C(C)NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(C)C	REAL300020153821	1	48	-1.0	-56.70	391.19	6.19	-50.51
CC1=CN(CC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NO2)N=C1	REAL300020153822	0	42	-1.0	-55.28	373.50	5.33	-49.95
CC1=CN(CC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NO2)N=C1	REAL300020153822	1	42	-1.0	-55.26	373.44	5.30	-49.96
CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CO1	REAL300020153823	0	38	-1.0	-48.06	351.02	-0.24	-48.30
CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CO1	REAL300020153823	1	38	-1.0	-48.08	350.96	-0.26	-48.34
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCOCC1	REAL300020153824	0	43	-1.0	-46.96	339.45	4.59	-42.37
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCOCC1	REAL300020153824	1	43	-1.0	-46.97	339.40	4.56	-42.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(CC2=NN=CN2)C=C1	REAL300020153825	0	42	-1.0	-65.53	365.41	7.41	-58.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(CC2=NN=CN2)C=C1	REAL300020153825	1	42	-1.0	-65.54	365.35	7.38	-58.16
CC1=CC2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=NN2C=C1	REAL300020153826	0	39	-1.0	-57.59	337.53	5.96	-51.63
CC1=CC2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=NN2C=C1	REAL300020153826	1	39	-1.0	-57.59	337.48	5.93	-51.66
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(CCO)C(=O)CC1	REAL300020153827	0	41	-1.0	-48.61	353.45	0.34	-48.27
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(CCO)C(=O)CC1	REAL300020153827	1	41	-1.0	-48.55	353.39	0.31	-48.24
COC(=O)C1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020153828	0	45	-1.0	-47.35	362.25	6.26	-41.09
COC(=O)C1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020153828	1	45	-1.0	-47.34	362.31	6.29	-41.05
O=C(CN1CCOCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153829	0	39	-1.0	-43.80	319.44	1.24	-42.56
O=C(CN1CCOCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153829	1	39	-1.0	-43.83	319.38	1.22	-42.61
CC(CN1CCOCC1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153830	0	45	-1.0	-40.82	360.14	2.66	-38.16
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153830	1	46	0.0	-64.13	360.37	4.69	-59.44
CC(CN1CCOCC1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153830	1	45	-1.0	-40.82	360.20	2.68	-38.14
COC(=O)C1=CN=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153831	0	38	-1.0	-56.65	338.55	4.42	-52.23
COC(=O)C1=CN=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153831	1	38	-1.0	-56.62	338.49	4.39	-52.23
CN(C)S(=O)(=O)CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153832	0	40	-1.0	-46.08	351.19	1.34	-44.74
CN(C)S(=O)(=O)CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153832	1	40	-1.0	-46.10	351.13	1.32	-44.78
O=C(CCC(=O)N1CCC(O)CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153833	0	47	-1.0	-44.95	382.99	2.19	-42.76
O=C(CCC(=O)N1CCC(O)CC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153833	1	47	-1.0	-44.94	383.05	2.22	-42.72
CN1C=C([N+](=O)[O-])C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020153834	0	35	-1.0	-65.05	318.03	4.87	-60.18
CN1C=C([N+](=O)[O-])C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020153834	1	35	-1.0	-65.04	317.97	4.85	-60.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1	REAL300020153835	0	45	-1.0	-55.16	385.42	9.48	-45.68
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1	REAL300020153835	1	45	-1.0	-55.18	385.36	9.45	-45.73
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CN=C1	REAL300020153836	0	41	-1.0	-43.53	339.45	5.31	-38.22
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CN=C1	REAL300020153836	1	41	-1.0	-43.50	339.39	5.28	-38.22
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(O)=C1	REAL300020153837	0	37	-1.0	-55.24	318.84	4.66	-50.58
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(O)=C1	REAL300020153837	1	37	-1.0	-55.26	318.79	4.64	-50.62
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(O)C=C1O	REAL300020153838	0	35	-1.0	-43.61	308.43	1.17	-42.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(O)C=C1O	REAL300020153838	1	35	-1.0	-43.58	308.38	1.14	-42.44
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=CC=C1O	REAL300020153839	0	34	-1.0	-51.57	303.87	4.07	-47.50
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=CC=C1O	REAL300020153839	1	34	-1.0	-51.59	303.81	4.04	-47.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=CC=C1[O-]	REAL300020153839	1	33	-2.0	-113.51	300.30	5.07	-108.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=CC=C1[O-]	REAL300020153839	1	33	-2.0	-113.50	300.25	5.04	-108.46
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300020153840	0	35	-2.0	-104.26	322.06	5.68	-98.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300020153840	1	35	-2.0	-104.24	322.00	5.65	-98.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Br)C=C1[O-]	REAL300020153841	0	33	-2.0	-117.53	315.18	5.63	-111.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Br)C=C1[O-]	REAL300020153841	1	33	-2.0	-117.49	315.12	5.61	-111.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Br)C=C1O	REAL300020153841	1	34	-1.0	-52.73	318.74	4.62	-48.11
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Br)C=C1O	REAL300020153841	1	34	-1.0	-52.73	318.68	4.60	-48.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(C=C1O)OCO2	REAL300020153842	0	37	-1.0	-42.80	323.47	2.67	-40.13
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(C=C1O)OCO2	REAL300020153842	1	37	-1.0	-42.80	323.41	2.65	-40.15
CCC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1O	REAL300020153843	0	40	-1.0	-55.27	339.15	5.46	-49.81
CCC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1O	REAL300020153843	1	40	-1.0	-55.26	339.09	5.43	-49.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020153844	0	39	-2.0	-117.39	353.08	7.75	-109.64
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020153844	1	39	-2.0	-117.37	353.02	7.73	-109.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(O)C2=CC=CC=C2C(Cl)=C1	REAL300020153844	1	40	-1.0	-51.99	356.64	6.76	-45.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(O)C2=CC=CC=C2C(Cl)=C1	REAL300020153844	1	40	-1.0	-51.97	356.59	6.73	-45.24
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(O)=C1O	REAL300020153845	0	38	-1.0	-56.78	328.22	2.41	-54.37
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(O)=C1O	REAL300020153845	1	38	-1.0	-56.76	328.16	2.38	-54.38
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(O)=C1C	REAL300020153846	0	40	-1.0	-55.48	334.49	5.25	-50.23
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(O)=C1C	REAL300020153846	1	40	-1.0	-55.46	334.43	5.22	-50.24
CC(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(O)=C1	REAL300020153847	0	43	-1.0	-42.46	357.59	5.91	-36.55
CC(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(O)=C1	REAL300020153847	1	43	-1.0	-42.46	357.54	5.89	-36.57
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Br)=N1	REAL300020153848	0	35	-1.0	-56.59	321.65	4.93	-51.66
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Br)=N1	REAL300020153848	1	35	-1.0	-56.53	321.59	4.91	-51.62
CCCCS(=O)(=O)NCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153849	0	43	-1.0	-50.10	373.85	1.21	-48.89
CCCCS(=O)(=O)NCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153849	1	43	-1.0	-50.14	373.90	1.23	-48.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2C=CN=N2)C=C1	REAL300020153850	0	39	-1.0	-61.05	341.96	5.39	-55.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2C=CN=N2)C=C1	REAL300020153850	1	39	-1.0	-61.04	341.90	5.36	-55.68
C=CC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020153851	0	43	-1.0	-42.50	362.32	8.07	-34.43
C=CC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020153851	1	43	-1.0	-42.47	362.26	8.04	-34.43
COC(=O)C1=CC=CC=C1CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153852	0	45	-1.0	-45.25	380.54	7.40	-37.85
COC(=O)C1=CC=CC=C1CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153852	1	45	-1.0	-45.25	380.59	7.43	-37.82
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153853	0	55	-1.0	-40.18	425.62	5.52	-34.66
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153853	1	55	-1.0	-40.18	425.68	5.55	-34.63
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Br)=C1	REAL300020153854	0	36	-1.0	-54.25	326.29	6.85	-47.40
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Br)=C1	REAL300020153854	1	36	-1.0	-54.23	326.23	6.82	-47.41
CC1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1F	REAL300020153855	0	36	-1.0	-56.52	325.17	6.15	-50.37
CC1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1F	REAL300020153855	1	36	-1.0	-56.52	325.11	6.12	-50.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C([O-])C=CC=C1Cl	REAL300020153856	0	33	-2.0	-93.84	314.99	3.83	-90.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C([O-])C=CC=C1Cl	REAL300020153856	1	33	-2.0	-93.83	314.93	3.81	-90.02
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(O)C=CC=C1Cl	REAL300020153856	1	34	-1.0	-48.20	318.56	3.06	-45.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(O)C=CC=C1Cl	REAL300020153856	1	34	-1.0	-48.19	318.50	3.03	-45.16
CCC1=CC=C(O)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153857	0	40	-1.0	-54.25	340.33	5.44	-48.81
CCC1=CC=C(O)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153857	1	40	-1.0	-54.30	340.28	5.41	-48.89
CC(C)C1=CC=C(O)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020153858	0	43	-1.0	-53.97	357.59	5.91	-48.06
CC(C)C1=CC=C(O)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020153858	1	43	-1.0	-53.97	357.53	5.89	-48.08
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(CCC2=CC=CC=C2)=CC=C1O	REAL300020153859	0	50	-1.0	-55.35	421.74	9.24	-46.11
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(CCC2=CC=CC=C2)=CC=C1O	REAL300020153859	1	50	-1.0	-55.38	421.68	9.22	-46.16
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300020153860	0	47	-1.0	-55.76	400.24	8.46	-47.30
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300020153860	1	47	-1.0	-55.74	400.18	8.43	-47.31
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CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Br)C=C1	REAL300020153887	1	39	-1.0	-52.41	350.23	7.39	-45.02
CC(C)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C1=CC=CC=C1	REAL300020153888	0	49	-1.0	-44.84	406.55	8.24	-36.60
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CC1(CCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC(=O)NC1=O	REAL300020153900	0	44	-1.0	-45.97	370.99	0.78	-45.19
CC1(CCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC(=O)NC1=O	REAL300020153900	1	44	-1.0	-45.94	371.05	0.81	-45.13
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CC(C)(C)OC(=O)NC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC1	REAL300020153908	0	53	-1.0	-45.92	418.88	5.13	-40.79
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CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)S(=O)(=O)C1CCOCC1	REAL300020154018	1	46	-1.0	-54.74	382.26	2.21	-52.53
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CC(C)(C)OC(=O)N1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020154033	1	47	-1.0	-44.20	387.13	4.83	-39.37
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COC1=CC2=NNN=C2C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154038	0	39	-1.0	-54.70	335.43	3.31	-51.39
COC1=CC2=NNN=C2C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154038	1	39	-1.0	-54.69	335.37	3.28	-51.41
C[NH+]1CCC(C)(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020154039	0	45	0.0	-60.78	346.10	6.02	-54.76
C[NH+]1CCC(C)(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020154039	1	45	0.0	-60.81	346.05	5.99	-54.82
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CC1=CC=NC=C1C=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154042	0	39	-1.0	-42.83	335.57	5.51	-37.32
CC1=CC=NC=C1C=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154042	1	39	-1.0	-42.80	335.51	5.48	-37.32
CC1=NOC(C2=CC=CC=C2)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154043	0	42	-1.0	-50.62	365.41	7.04	-43.58
CC1=NOC(C2=CC=CC=C2)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154043	1	42	-1.0	-50.60	365.36	7.02	-43.58
CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154044	0	47	0.0	-59.98	354.86	4.54	-55.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCN2C(=CN=C2C2=CC=CC=C2)C1	REAL300020154045	0	50	-1.0	-46.28	406.98	8.89	-37.39
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CCCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=CC=C1	REAL300020154046	0	49	-1.0	-52.55	407.65	8.62	-43.93
CCCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=CC=C1	REAL300020154046	1	49	-1.0	-52.57	407.59	8.59	-43.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL300020154047	0	43	-1.0	-39.72	385.31	5.36	-34.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL300020154047	1	43	-1.0	-39.69	385.25	5.33	-34.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(CC2=CC=CC(F)=C2)=N1	REAL300020154048	0	42	-1.0	-42.91	385.57	7.09	-35.82
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(CC2=CC=CC(F)=C2)=N1	REAL300020154048	1	42	-1.0	-42.91	385.62	7.11	-35.80
CC1=CC=C(C(F)(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020154049	0	39	-1.0	-39.53	344.34	7.02	-32.51
CC1=CC=C(C(F)(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020154049	1	39	-1.0	-39.49	344.28	7.00	-32.49
COC(=O)CCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154050	0	38	-1.0	-47.83	330.18	4.83	-43.00
COC(=O)CCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154050	1	38	-1.0	-47.81	330.12	4.81	-43.00
CN1N=NC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN=C21	REAL300020154051	0	37	-1.0	-42.77	327.62	3.18	-39.59
CN1N=NC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN=C21	REAL300020154051	1	37	-1.0	-42.77	327.56	3.16	-39.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NC(C2CC2)=C1	REAL300020154052	0	39	-1.0	-40.95	333.59	5.82	-35.13
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CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C1=CC=CC(C#N)=C1	REAL300020154053	0	44	-1.0	-57.37	391.18	7.56	-49.81
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C1=CC=CC(C#N)=C1	REAL300020154053	1	44	-1.0	-57.37	391.12	7.54	-49.83
CO[C@@H](C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020154054	0	40	-1.0	-56.39	345.38	6.31	-50.08
CO[C@@H](C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020154054	1	40	-1.0	-56.40	345.32	6.29	-50.11
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1C	REAL300020154055	0	39	-1.0	-55.55	336.84	7.18	-48.37
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1C	REAL300020154055	1	39	-1.0	-55.56	336.78	7.15	-48.41
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CC1=CC(F)=CC=C1N1C=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020154057	0	43	-1.0	-51.63	377.65	7.74	-43.89
CC1=CC(F)=CC=C1N1C=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020154057	1	43	-1.0	-51.63	377.59	7.71	-43.92
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154058	0	45	-1.0	-50.59	395.45	8.87	-41.72
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154058	1	45	-1.0	-50.58	395.39	8.85	-41.73
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CC1=NSC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154060	0	32	-1.0	-42.39	290.66	3.83	-38.56
CC1=NSC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154060	1	32	-1.0	-42.36	290.61	3.80	-38.56
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CC(C)(C)SC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020154116	0	45	-1.0	-41.21	379.77	7.88	-33.33
CC(C)(C)SC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020154116	1	45	-1.0	-41.25	379.72	7.85	-33.40
CCC1=CC=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020154117	0	38	-1.0	-51.92	328.80	5.27	-46.65
CCC1=CC=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020154117	1	38	-1.0	-51.88	328.74	5.24	-46.64
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CCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1CC	REAL300020154119	1	45	-1.0	-41.32	365.62	8.09	-33.23
CC1=CC=CC(C)=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154120	0	42	-1.0	-41.92	347.33	7.27	-34.65
CC1=CC=CC(C)=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154120	1	42	-1.0	-41.90	347.27	7.25	-34.65
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CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC2=NC(C)=NC(N)=C12	REAL300020154123	0	42	-1.0	-49.04	362.92	4.54	-44.50
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC2=NC(C)=NC(N)=C12	REAL300020154123	1	42	-1.0	-49.05	362.86	4.51	-44.54
CC1=NC(N)=NC(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154124	0	39	-1.0	-41.13	337.06	3.84	-37.29
CC1=NC(N)=NC(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154124	1	39	-1.0	-41.12	337.00	3.82	-37.30
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CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020154126	0	45	-1.0	-48.30	390.00	3.10	-45.20
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020154126	1	45	-1.0	-48.31	389.95	3.08	-45.23
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CSC1=CC=CC=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154129	1	40	-1.0	-42.96	350.64	7.12	-35.84
COCCOC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020154130	0	43	-1.0	-43.94	371.48	2.48	-41.46
COCCOC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020154130	1	43	-1.0	-43.92	371.42	2.46	-41.46
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020154131	0	38	-1.0	-56.41	333.61	6.03	-50.38
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020154131	1	38	-1.0	-56.39	333.55	6.00	-50.39
COC1=NC(C)=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154132	0	39	-1.0	-45.04	335.25	4.06	-40.98
COC1=NC(C)=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154132	1	39	-1.0	-45.03	335.19	4.04	-40.99
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CCCC(CCC)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154134	0	47	-1.0	-40.23	370.74	7.40	-32.83
CCCC(CCC)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154134	1	47	-1.0	-40.19	370.68	7.37	-32.82
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CCCC(=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)CCC	REAL300020154136	0	45	-1.0	-41.73	365.63	7.62	-34.11
CCCC(=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)CCC	REAL300020154136	1	45	-1.0	-41.72	365.57	7.59	-34.13
COCC1=NN=C(C2=CC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)O1	REAL300020154137	0	45	-1.0	-66.23	395.16	1.26	-64.97
COCC1=NN=C(C2=CC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)O1	REAL300020154137	1	45	-1.0	-66.22	395.11	1.24	-64.98
CC1=CSC2=NC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C(=O)N12	REAL300020154138	0	38	-1.0	-56.42	338.68	5.44	-50.98
CC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)CC1=CC=C(Cl)C=C1	REAL300020154139	0	45	-1.0	-44.56	385.23	8.73	-35.83
CC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)CC1=CC=C(Cl)C=C1	REAL300020154139	1	45	-1.0	-44.57	385.29	8.76	-35.81
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(O)C(O)C1=NC2=CC=CC=C2S1	REAL300020154140	0	43	-1.0	-53.26	383.82	1.47	-51.79
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O=C(C=CC1=CC=C(O)C(O)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154141	0	39	-1.0	-56.37	344.84	1.84	-54.53
O=C(C=CC1=CC=C(O)C(O)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154141	1	39	-1.0	-56.37	344.78	1.81	-54.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(C2=NN=CO2)=C1	REAL300020154142	0	38	-1.0	-49.45	339.52	1.47	-47.98
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C2=NN=CO2)=C1	REAL300020154142	1	38	-1.0	-49.41	339.46	1.45	-47.96
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1O	REAL300020154143	0	37	-1.0	-42.08	319.63	3.46	-38.62
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1O	REAL300020154143	1	37	-1.0	-42.12	319.58	3.44	-38.68
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C=CNC2=N1	REAL300020154144	0	36	-1.0	-53.48	317.02	4.91	-48.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C=CNC2=N1	REAL300020154144	1	36	-1.0	-53.51	316.96	4.89	-48.62
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)NC=C1	REAL300020154145	0	36	-1.0	-59.31	306.72	3.46	-55.85
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)NC=C1	REAL300020154145	1	36	-1.0	-59.29	306.66	3.44	-55.85
CC1=CC(O)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020154146	0	37	-1.0	-42.06	321.04	3.36	-38.70
CC1=CC(O)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020154146	1	37	-1.0	-42.03	320.98	3.33	-38.70
CN1C=NC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN=C21	REAL300020154147	0	38	-1.0	-47.05	331.99	6.05	-41.00
CN1C=NC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN=C21	REAL300020154147	1	38	-1.0	-47.04	331.93	6.03	-41.01
CC(O)C(NC(=O)C1CCCC1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154148	0	50	-1.0	-40.78	397.11	1.86	-38.92
CC(O)C(NC(=O)C1CCCC1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154148	1	50	-1.0	-40.82	397.16	1.89	-38.93
CC(O)C(NC(=O)C1CC1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154149	0	44	-1.0	-42.84	367.41	1.99	-40.85
CC(O)C(NC(=O)C1CC1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154149	1	44	-1.0	-42.82	367.35	1.97	-40.85
CC1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C2=CC=CC=C2)S1	REAL300020154150	0	42	-1.0	-45.57	374.45	7.08	-38.49
CC1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C2=CC=CC=C2)S1	REAL300020154150	1	42	-1.0	-45.55	374.39	7.06	-38.49
CSC(C)CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154151	0	39	-1.0	-40.94	335.69	5.80	-35.14
CSC(C)CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154151	1	39	-1.0	-40.92	335.64	5.78	-35.14
COC1=C(C)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020154152	0	43	-1.0	-43.98	362.11	6.46	-37.52
COC1=C(C)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020154152	1	43	-1.0	-43.94	362.05	6.43	-37.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C=C1O	REAL300020154153	0	37	-1.0	-52.74	336.12	5.00	-47.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)C=C1O	REAL300020154153	1	37	-1.0	-52.73	336.06	4.97	-47.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300020154153	1	36	-2.0	-115.91	332.55	6.01	-109.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300020154153	1	36	-2.0	-115.82	332.50	5.98	-109.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C=CC=NN21	REAL300020154154	0	36	-1.0	-59.35	315.61	5.57	-53.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C=CC=NN21	REAL300020154154	1	36	-1.0	-59.32	315.55	5.55	-53.77
CC(C)C1=CC=CC(C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)O2)=C1	REAL300020154155	0	49	-1.0	-50.10	412.48	9.23	-40.87
CC(C)C1=CC=CC(C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)O2)=C1	REAL300020154155	1	49	-1.0	-50.06	412.42	9.20	-40.86
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(F)C(Cl)=C1F	REAL300020154156	0	33	-1.0	-58.08	315.17	6.17	-51.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(F)C(Cl)=C1F	REAL300020154156	1	33	-1.0	-58.10	315.11	6.15	-51.95
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(O)C=C1F	REAL300020154157	0	34	-1.0	-59.16	304.13	2.79	-56.37
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(O)C=C1F	REAL300020154157	1	34	-1.0	-59.18	304.07	2.77	-56.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([O-])C=C1F	REAL300020154157	1	33	-2.0	-99.29	300.57	3.57	-95.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=CN=C1C1=CC=CC=C1	REAL300020154158	0	41	-1.0	-43.70	351.62	7.10	-36.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=CN=C1C1=CC=CC=C1	REAL300020154158	1	41	-1.0	-43.67	351.56	7.08	-36.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Br)N=CS1	REAL300020154159	0	29	-1.0	-53.87	293.69	3.23	-50.64
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Br)N=CS1	REAL300020154159	1	29	-1.0	-53.85	293.63	3.21	-50.64
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N1N=NN=C1C(C)(C)C	REAL300020154160	0	46	-1.0	-48.70	374.71	4.55	-44.15
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1N=NN=C1C(C)(C)C	REAL300020154160	1	46	-1.0	-48.69	374.65	4.52	-44.17
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(NC2CC2)=N1	REAL300020154161	0	38	-1.0	-49.76	344.55	4.27	-45.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(NC2CC2)=N1	REAL300020154161	1	38	-1.0	-49.81	344.49	4.25	-45.56
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C1=CC=C(F)C=C1	REAL300020154162	0	43	-1.0	-52.17	376.75	7.24	-44.93
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C1=CC=C(F)C=C1	REAL300020154162	1	43	-1.0	-52.13	376.70	7.22	-44.91
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C1=CC=C(C)C=C1	REAL300020154163	0	46	-1.0	-53.24	391.75	7.85	-45.39
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C1=CC=C(C)C=C1	REAL300020154163	1	46	-1.0	-53.25	391.69	7.83	-45.42
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CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154390	0	40	-1.0	-53.85	367.05	8.20	-45.65
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CC1=NC(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1C	REAL300020154391	0	40	-1.0	-43.77	335.33	3.75	-40.02
CC1=NC(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1C	REAL300020154391	1	40	-1.0	-43.77	335.27	3.72	-40.05
CC1=CC(Br)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020154392	0	36	-1.0	-40.00	331.31	6.84	-33.16
CC1=CC(Br)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020154392	1	36	-1.0	-39.98	331.25	6.81	-33.17
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020154393	0	41	-1.0	-42.37	362.37	7.47	-34.90
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020154393	1	41	-1.0	-42.35	362.32	7.45	-34.90
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CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154395	1	44	-1.0	-44.83	387.18	7.99	-36.84
COC1=CC=C(C2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCC2)C=C1OC	REAL300020154396	0	51	-1.0	-44.13	410.51	7.14	-36.99
COC1=CC=C(C2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCC2)C=C1OC	REAL300020154396	1	51	-1.0	-44.10	410.45	7.12	-36.98
CC1(C)CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCO1	REAL300020154397	0	46	-1.0	-43.43	358.61	5.28	-38.15
CC1(C)CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCO1	REAL300020154397	1	46	-1.0	-43.44	358.55	5.25	-38.19
O=C(CC1=CC(Cl)=CC2=C1OCC2)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154398	0	41	-1.0	-43.96	365.81	6.59	-37.37
O=C(CC1=CC(Cl)=CC2=C1OCC2)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154398	1	41	-1.0	-43.96	365.75	6.57	-37.39
CC1CCN(C(=O)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020154399	0	43	-1.0	-39.28	346.97	4.45	-34.83
CC1CCN(C(=O)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020154399	1	43	-1.0	-39.23	346.91	4.43	-34.80
CC1CCCN(C(=O)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020154400	0	43	-1.0	-43.24	346.98	4.44	-38.80
CC1CCCN(C(=O)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020154400	1	43	-1.0	-43.24	346.92	4.41	-38.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=COC(C2CCOCC2)=N1	REAL300020154401	0	43	-1.0	-48.99	364.48	1.77	-47.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=COC(C2CCOCC2)=N1	REAL300020154401	1	43	-1.0	-48.96	364.42	1.75	-47.21
CNC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1[N+](=O)[O-]	REAL300020154402	0	40	-1.0	-56.38	343.00	5.55	-50.83
CNC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1[N+](=O)[O-]	REAL300020154402	1	40	-1.0	-56.37	342.94	5.52	-50.85
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(OC2CCCC2)N=C1	REAL300020154403	1	46	-1.0	-40.43	381.48	5.42	-35.01
CC(C)(C)OC(=O)NCC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020154404	0	50	-1.0	-44.23	411.00	4.29	-39.94
CC(C)(C)OC(=O)NCC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020154404	1	50	-1.0	-44.26	411.05	4.32	-39.94
NC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020154405	0	36	-1.0	-50.45	322.77	0.67	-49.78
NC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020154405	1	36	-1.0	-50.43	322.71	0.65	-49.78
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C2CCCC2)N=CS1	REAL300020154406	1	42	-1.0	-51.82	356.95	5.96	-45.86
COC1=CC=C(C(=O)CCCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020154407	0	51	-1.0	-50.62	427.11	7.72	-42.90
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CC1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C2=CC=CC=C2)O1	REAL300020154408	0	42	-1.0	-45.59	365.11	4.71	-40.88
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CC1=CC(Cl)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020154410	1	39	-1.0	-41.90	339.85	7.28	-34.62
CC1=CC=C(F)C=C1C(=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154411	0	38	-1.0	-49.37	331.68	6.14	-43.23
CC1=CC=C(F)C=C1C(=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154411	1	38	-1.0	-49.39	331.62	6.12	-43.27
CC(C)C1CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCO1	REAL300020154412	0	49	-1.0	-46.97	382.76	6.22	-40.75
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CC1=C(C(=O)NCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CO1	REAL300020154413	0	40	-1.0	-43.05	349.25	2.84	-40.21
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CC1(CN2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=N2)COC1	REAL300020154420	1	43	-1.0	-50.51	364.66	2.58	-47.93
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CCCCC(ON=C(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154440	0	48	-1.0	-43.49	397.17	7.64	-35.85
CCCCC(ON=C(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154440	1	48	-1.0	-43.48	397.11	7.62	-35.86
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CN(C)C1=NC2=CC=CC=C2C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020154441	1	46	-1.0	-54.68	379.00	7.58	-47.10
CNC(=O)CCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154442	0	39	-1.0	-51.18	334.33	2.35	-48.83
CNC(=O)CCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154442	1	39	-1.0	-51.16	334.27	2.33	-48.83
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCCCC1	REAL300020154443	0	45	-1.0	-43.29	331.08	7.05	-36.24
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCCCC1	REAL300020154443	1	45	-1.0	-43.30	331.02	7.03	-36.27
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1CCCCC1	REAL300020154444	0	49	-1.0	-44.20	392.94	7.26	-36.94
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COC1=CC=C(CC(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020154446	1	50	-1.0	-43.48	408.99	6.71	-36.77
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COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1C(C)C	REAL300020154448	1	50	-1.0	-52.24	400.98	6.55	-45.69
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CCC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C	REAL300020154450	1	39	-1.0	-54.27	335.54	4.56	-49.71
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CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCOC1	REAL300020154452	0	40	-1.0	-42.27	319.51	3.95	-38.32
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCOC1	REAL300020154452	1	40	-1.0	-42.27	319.46	3.93	-38.34
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CC(O)(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020154454	0	43	-1.0	-42.78	354.70	5.15	-37.63
CC(O)(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020154454	1	43	-1.0	-42.78	354.64	5.12	-37.66
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CC1CC(C)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020154456	0	45	-1.0	-39.62	348.82	6.76	-32.86
CC1CC(C)CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020154456	1	45	-1.0	-39.60	348.76	6.74	-32.86
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CCCN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020154458	0	39	-1.0	-43.01	336.67	4.94	-38.07
CCCN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020154458	1	39	-1.0	-42.99	336.61	4.92	-38.07
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CN=C1C1CC1	REAL300020154459	0	39	-1.0	-44.57	330.41	6.14	-38.43
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CN=C1C1CC1	REAL300020154459	1	39	-1.0	-44.53	330.36	6.12	-38.41
CC(C)(C)OC(=O)NC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC1	REAL300020154460	0	53	-1.0	-46.00	421.07	6.31	-39.69
CC(C)(C)OC(=O)NC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC1	REAL300020154460	1	53	-1.0	-46.01	421.13	6.33	-39.68
CN1C=C(C2=CC=C(F)C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)C=N1	REAL300020154461	0	43	-1.0	-62.07	373.21	6.94	-55.13
CN1C=C(C2=CC=C(F)C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)C=N1	REAL300020154461	1	43	-1.0	-62.07	373.15	6.91	-55.16
CN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)(F)F)=C1	REAL300020154462	0	37	-1.0	-48.35	335.15	6.22	-42.13
CN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(F)(F)F)=C1	REAL300020154462	1	37	-1.0	-48.34	335.09	6.19	-42.15
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CC(OC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1)C1=CC=CC=C1	REAL300020154550	1	50	-1.0	-53.03	416.64	9.47	-43.56
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CC(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020154555	1	42	-1.0	-40.56	362.38	7.87	-32.69
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CC1C(=O)CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1(C)C	REAL300020154558	1	47	-1.0	-42.56	357.96	6.06	-36.50
CCCN1C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC2=CC=CC=C21	REAL300020154559	0	46	-1.0	-53.76	378.02	9.14	-44.62
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CC(=O)CC(C)(C)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154599	1	43	-1.0	-46.00	341.66	5.71	-40.29
CC(=O)N1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020154600	0	37	-1.0	-54.14	321.26	3.05	-51.09
CC(=O)N1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020154600	1	37	-1.0	-54.16	321.20	3.02	-51.14
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COC1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1OC	REAL300020154602	0	41	-1.0	-49.13	359.47	4.93	-44.20
COC1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1OC	REAL300020154602	1	41	-1.0	-49.13	359.41	4.90	-44.23
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CC1=CC=CC=C1C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1	REAL300020154604	0	46	-1.0	-42.66	367.48	8.23	-34.43
CC1=CC=CC=C1C1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC1	REAL300020154604	1	46	-1.0	-42.64	367.43	8.20	-34.44
COC1=CC=C(OC)C(C2CC2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020154605	0	48	-1.0	-44.52	398.98	6.19	-38.33
COC1=CC=C(OC)C(C2CC2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020154605	1	48	-1.0	-44.50	399.04	6.22	-38.28
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN=C1Br	REAL300020154606	0	36	-1.0	-40.47	333.84	3.63	-36.84
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN=C1Br	REAL300020154606	1	36	-1.0	-40.47	333.78	3.61	-36.86
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COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OCC2CC2)=C1	REAL300020154608	1	48	-1.0	-59.53	398.77	7.80	-51.73
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(Cl)=C1F	REAL300020154609	0	42	-1.0	-50.23	362.10	7.67	-42.56
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(Cl)=C1F	REAL300020154609	1	42	-1.0	-50.20	362.05	7.64	-42.56
COCCN1N=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154610	0	40	-1.0	-49.33	338.95	3.66	-45.67
COCCN1N=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154610	1	40	-1.0	-49.32	338.89	3.64	-45.68
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C2=CC=CC=C2)SC=N1	REAL300020154611	0	39	-1.0	-43.49	352.56	6.39	-37.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C2=CC=CC=C2)SC=N1	REAL300020154611	1	39	-1.0	-43.48	352.51	6.36	-37.12
CC(C)(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)CC1=CC=C(Cl)C=C1	REAL300020154612	0	48	-1.0	-41.39	395.66	9.03	-32.36
CC(C)(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)CC1=CC=C(Cl)C=C1	REAL300020154612	1	48	-1.0	-41.43	395.71	9.05	-32.38
C=CC(C)(CCOC)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154613	0	43	-1.0	-44.75	347.97	4.94	-39.81
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CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020154650	1	51	-1.0	-44.75	410.17	5.16	-39.59
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CN(C)C1=CC=CC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020154657	0	47	-1.0	-52.06	386.15	7.44	-44.62
CN(C)C1=CC=CC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020154657	1	47	-1.0	-52.05	386.09	7.41	-44.64
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CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154662	0	43	-1.0	-42.77	377.23	7.62	-35.15
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154662	1	43	-1.0	-42.80	377.28	7.65	-35.15
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CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020154803	1	42	-1.0	-44.27	367.85	7.78	-36.49
CC1=CC=C2OC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCC2=C1	REAL300020154804	0	44	-1.0	-44.13	366.31	7.84	-36.29
CC1=CC=C2OC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCC2=C1	REAL300020154804	1	44	-1.0	-44.10	366.25	7.82	-36.28
CCN1N=CC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C(C)N=C21	REAL300020154805	0	44	-1.0	-45.13	370.70	6.27	-38.86
CCN1N=CC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C(C)N=C21	REAL300020154805	1	44	-1.0	-45.09	370.64	6.25	-38.84
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@H]1CCCC(=O)N1	REAL300020154807	1	37	-1.0	-45.74	312.97	2.05	-43.69
CC(O)(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154808	0	46	-1.0	-42.37	381.75	5.16	-37.21
CC(O)(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154808	1	46	-1.0	-42.38	381.69	5.14	-37.24
COC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1[N+](=O)[O-]	REAL300020154809	0	39	-1.0	-61.95	341.65	7.09	-54.86
COC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1[N+](=O)[O-]	REAL300020154809	1	39	-1.0	-61.94	341.59	7.06	-54.88
CCC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C2C(C(C)C)=NOC2=N1	REAL300020154810	0	49	-1.0	-50.95	409.28	5.13	-45.82
CCC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C2C(C(C)C)=NOC2=N1	REAL300020154810	1	49	-1.0	-50.93	409.22	5.11	-45.82
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154811	0	46	-1.0	-43.33	378.59	8.80	-34.53
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154811	1	46	-1.0	-43.33	378.54	8.78	-34.55
CC1=C(C#N)C=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154812	0	37	-1.0	-45.39	322.61	6.49	-38.90
CC1=C(C#N)C=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154812	1	37	-1.0	-45.37	322.55	6.47	-38.90
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CC1=NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2CC2)=N1	REAL300020154866	1	41	-1.0	-42.54	347.35	5.85	-36.69
CC1=CC=C2C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CSC2=C1	REAL300020154867	0	39	-1.0	-55.80	344.39	7.54	-48.26
CC1=CC=C2C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CSC2=C1	REAL300020154867	1	39	-1.0	-55.80	344.33	7.51	-48.29
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300020154868	0	42	-1.0	-45.62	384.73	7.97	-37.65
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300020154868	1	42	-1.0	-45.58	384.67	7.94	-37.64
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CC1=C(Cl)C=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154870	0	36	-1.0	-42.70	318.04	6.68	-36.02
CC1=C(Cl)C=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154870	1	36	-1.0	-42.78	317.98	6.66	-36.12
CC1=CC(=O)N(CC(C)(O)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020154871	0	46	-1.0	-60.55	381.76	3.37	-57.18
CC1=CC(=O)N(CC(C)(O)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020154871	1	46	-1.0	-60.53	381.70	3.34	-57.19
CN(C)C1=CC(F)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020154872	0	43	-1.0	-51.83	373.25	6.93	-44.90
CN(C)C1=CC(F)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020154872	1	43	-1.0	-51.81	373.20	6.91	-44.90
NC1=NC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1[N+](=O)[O-]	REAL300020154873	0	36	-1.0	-65.51	325.21	4.19	-61.32
NC1=NC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1[N+](=O)[O-]	REAL300020154873	1	36	-1.0	-65.47	325.15	4.16	-61.31
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CC(C)NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020154875	0	43	-1.0	-41.98	358.83	4.92	-37.06
CC(C)NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020154875	1	43	-1.0	-42.01	358.77	4.89	-37.12
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CN1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C2C1=O	REAL300020154877	0	44	-1.0	-48.07	367.85	6.27	-41.80
CN1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C2C1=O	REAL300020154877	1	44	-1.0	-48.06	367.79	6.24	-41.82
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CCCCCCCCCC(C)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154880	0	59	-1.0	-42.20	459.84	10.71	-31.49
CCCCCCCCCC(C)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154880	1	59	-1.0	-42.23	459.90	10.73	-31.50
CC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CNC2=CC=CC=C12	REAL300020154881	0	46	-1.0	-44.34	382.65	7.61	-36.73
CC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNC2=CC=CC=C12	REAL300020154881	1	46	-1.0	-44.30	382.59	7.58	-36.72
N#CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020154882	0	34	-1.0	-42.81	315.32	5.98	-36.83
N#CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020154882	1	34	-1.0	-42.80	315.26	5.96	-36.84
CNC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020154883	0	37	-1.0	-42.72	318.34	3.44	-39.28
CNC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020154883	1	37	-1.0	-42.71	318.28	3.41	-39.30
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NC1=C(Cl)C=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020154887	0	35	-1.0	-52.50	328.20	4.58	-47.92
NC1=C(Cl)C=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Cl	REAL300020154887	1	35	-1.0	-52.54	328.14	4.56	-47.98
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CC1=C(C)SC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020154889	0	35	-1.0	-57.34	316.40	3.92	-53.42
CC1=C(C)SC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020154889	1	35	-1.0	-57.37	316.34	3.90	-53.47
CN1C=C2C(=N1)CCCC2C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154890	0	43	-1.0	-42.32	351.16	5.81	-36.51
CN1C=C2C(=N1)CCCC2C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154890	1	43	-1.0	-42.27	351.10	5.79	-36.48
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(C2CC2)=N1	REAL300020154891	0	39	-1.0	-50.74	344.60	5.56	-45.18
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C2CC2)=N1	REAL300020154891	1	39	-1.0	-50.75	344.54	5.53	-45.22
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CN=CC(Br)=C2)CC1	REAL300020154892	1	39	-1.0	-40.99	358.11	6.22	-34.77
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020154893	0	49	-1.0	-55.25	408.99	5.51	-49.74
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020154893	1	49	-1.0	-55.28	409.04	5.54	-49.74
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C(C#N)O1	REAL300020154894	0	34	-1.0	-47.76	310.99	4.86	-42.90
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C(C#N)O1	REAL300020154894	1	34	-1.0	-47.75	310.94	4.84	-42.91
O=C(CC1CCC(F)(F)C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154895	0	39	-1.0	-41.11	329.07	6.06	-35.05
O=C(CC1CCC(F)(F)C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154895	1	39	-1.0	-41.09	329.02	6.03	-35.06
O=C(CC1=C(Br)C(=O)NC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154896	0	36	-1.0	-51.35	335.06	3.62	-47.73
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COC1=CC=CC(C(C)CCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020154897	0	52	-1.0	-43.35	421.34	8.22	-35.13
COC1=CC=CC(C(C)CCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020154897	1	52	-1.0	-43.32	421.40	8.24	-35.08
CC1=CC(F)=CC(N2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=N2)=C1	REAL300020154898	0	42	-1.0	-42.49	373.49	6.01	-36.48
CC1=CC(F)=CC(N2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=N2)=C1	REAL300020154898	1	42	-1.0	-42.46	373.43	5.98	-36.48
CC1=NC2=C(CCCC2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020154899	0	42	-1.0	-44.01	357.33	6.31	-37.70
CC1=NC2=C(CCCC2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020154899	1	42	-1.0	-43.98	357.27	6.28	-37.70
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C2=CC=C(Cl)C=C2)=CN1	REAL300020154900	0	41	-1.0	-56.95	370.10	7.41	-49.54
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CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC2=CC(C)=C(C)C=C21	REAL300020154901	0	45	-1.0	-41.70	381.34	8.81	-32.89
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC2=CC(C)=C(C)C=C21	REAL300020154901	1	45	-1.0	-41.68	381.28	8.78	-32.90
O=C(CC1CC(C2=CC=CC=C2)C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154902	0	46	-1.0	-41.62	377.91	8.79	-32.83
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CSC1=C(F)C=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154905	0	37	-1.0	-56.67	334.38	6.70	-49.97
CSC1=C(F)C=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154905	1	37	-1.0	-56.68	334.32	6.68	-50.00
COC1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020154906	0	39	-1.0	-46.52	336.26	3.89	-42.63
COC1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020154906	1	39	-1.0	-46.49	336.20	3.87	-42.62
CN1N=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1CC1=CC=CC=C1	REAL300020154907	0	46	-1.0	-44.37	381.69	7.34	-37.03
CN1N=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1CC1=CC=CC=C1	REAL300020154907	1	46	-1.0	-44.39	381.63	7.31	-37.08
COC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(C)N=C1	REAL300020154908	0	40	-1.0	-48.40	348.77	4.04	-44.36
COC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(C)N=C1	REAL300020154908	1	40	-1.0	-48.42	348.71	4.01	-44.41
CC1=NOC(C)=C1C(C)(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154909	0	44	-1.0	-50.70	351.18	5.66	-45.04
CC1=NOC(C)=C1C(C)(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154909	1	44	-1.0	-50.68	351.12	5.63	-45.05
CC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C	REAL300020154910	0	41	-1.0	-41.56	346.21	6.66	-34.90
CC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C	REAL300020154910	1	41	-1.0	-41.56	346.15	6.64	-34.92
COC1=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1O	REAL300020154911	0	45	-1.0	-60.36	382.71	3.24	-57.12
COC1=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1O	REAL300020154911	1	45	-1.0	-60.33	382.65	3.22	-57.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NN1CC(F)F	REAL300020154912	0	36	-1.0	-43.71	321.34	4.43	-39.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NN1CC(F)F	REAL300020154912	1	36	-1.0	-43.67	321.28	4.41	-39.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC(C(F)(F)F)CC1	REAL300020154913	0	42	-1.0	-40.36	351.49	6.69	-33.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC(C(F)(F)F)CC1	REAL300020154913	1	42	-1.0	-40.34	351.55	6.71	-33.63
CC(=O)NC1=CC=CC=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154914	0	43	-1.0	-45.98	364.80	5.29	-40.69
CC(=O)NC1=CC=CC=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154914	1	43	-1.0	-46.00	364.74	5.26	-40.74
COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C1CC1	REAL300020154915	0	44	-1.0	-41.90	366.08	7.01	-34.89
COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C1CC1	REAL300020154915	1	44	-1.0	-41.88	366.02	6.98	-34.90
COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OCCO	REAL300020154916	0	45	-1.0	-46.08	380.46	2.61	-43.47
COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OCCO	REAL300020154916	1	45	-1.0	-46.09	380.40	2.58	-43.51
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CC(C)C(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CN=C1	REAL300020154927	1	44	-1.0	-46.77	362.91	6.01	-40.76
CC1=CC(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300020154928	0	42	-1.0	-46.12	366.36	7.21	-38.91
CC1=CC(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300020154928	1	42	-1.0	-46.12	366.42	7.23	-38.89
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COC(=O)[C@H]1CC[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020154937	0	45	-1.0	-42.60	369.26	6.41	-36.19
COC(=O)[C@H]1CC[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020154937	1	45	-1.0	-42.58	369.32	6.44	-36.14
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CC1=NC(CN2N=NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2C)=NO1	REAL300020154939	0	43	-1.0	-47.80	378.31	1.76	-46.04
CC1=NC(CN2N=NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2C)=NO1	REAL300020154939	1	43	-1.0	-47.81	378.37	1.78	-46.03
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CCSC1=NC=CN=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154942	1	38	-1.0	-53.44	340.48	4.05	-49.39
CCC1=C(Br)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020154943	0	36	-1.0	-52.57	333.57	3.94	-48.63
CCC1=C(Br)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1	REAL300020154943	1	36	-1.0	-52.59	333.52	3.92	-48.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(CC(F)F)C=C1	REAL300020154944	0	36	-1.0	-54.33	328.51	4.51	-49.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(CC(F)F)C=C1	REAL300020154944	1	36	-1.0	-54.34	328.46	4.48	-49.86
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2NC=CC=C2N=C1	REAL300020154945	0	36	-1.0	-57.18	315.47	3.76	-53.42
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CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N1C=CC2=CC=CC=C2C1=O	REAL300020154947	0	45	-1.0	-46.43	378.14	7.36	-39.07
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1C=CC2=CC=CC=C2C1=O	REAL300020154947	1	45	-1.0	-46.44	378.08	7.33	-39.11
CN1N=CC2=C1N(C)C=C(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C2=O	REAL300020154948	0	42	-1.0	-56.09	354.79	5.55	-50.54
COC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1[N+](=O)[O-]	REAL300020154949	0	39	-1.0	-74.75	345.06	6.63	-68.12
COC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1[N+](=O)[O-]	REAL300020154949	1	39	-1.0	-74.78	345.00	6.60	-68.18
CN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC(F)=CC=C21	REAL300020154950	0	40	-1.0	-66.61	349.68	7.32	-59.29
CN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC(F)=CC=C21	REAL300020154950	1	40	-1.0	-66.64	349.62	7.29	-59.35
N#CCCCN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C21	REAL300020154951	0	47	-1.0	-72.73	407.62	9.42	-63.31
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CC1=NC2=CC=CC=C2C(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154952	0	44	-1.0	-46.00	369.08	6.73	-39.27
CC1=NC2=CC=CC=C2C(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154952	1	44	-1.0	-46.03	369.02	6.71	-39.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC(O)CC1	REAL300020154953	0	40	-1.0	-42.87	323.18	2.59	-40.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC(O)CC1	REAL300020154953	1	40	-1.0	-42.86	323.12	2.56	-40.30
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CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCOCC1	REAL300020154955	0	46	-1.0	-43.10	350.74	4.91	-38.19
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCOCC1	REAL300020154955	1	46	-1.0	-43.07	350.69	4.89	-38.18
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CCC1=CSC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020154958	0	38	-1.0	-43.82	340.95	4.72	-39.10
CCC1=CSC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020154958	1	38	-1.0	-43.81	340.90	4.70	-39.11
O=C(CC1CCCOC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154959	0	40	-1.0	-42.73	324.06	4.13	-38.60
O=C(CC1CCCOC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154959	1	40	-1.0	-42.69	324.00	4.11	-38.58
O=C(CCC1=CN=CC=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154960	0	37	-1.0	-42.91	323.63	3.41	-39.50
O=C(CCC1=CN=CC=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154960	1	37	-1.0	-42.86	323.57	3.38	-39.48
CN1N=CC2=C1CC(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)CC2	REAL300020154961	0	43	-1.0	-42.77	353.50	5.57	-37.20
CN1N=CC2=C1CC(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)CC2	REAL300020154961	1	43	-1.0	-42.78	353.44	5.55	-37.23
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CS(=O)C1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020154962	1	41	-1.0	-53.29	365.39	4.81	-48.48
CCN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)(F)F)=N1	REAL300020154963	0	39	-1.0	-50.44	349.25	5.18	-45.26
CCN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(F)(F)F)=N1	REAL300020154963	1	39	-1.0	-50.40	349.19	5.16	-45.24
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CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=NN1CC1=CC=C(F)C=C1	REAL300020154965	0	45	-1.0	-49.02	389.57	6.17	-42.85
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=NN1CC1=CC=C(F)C=C1	REAL300020154965	1	45	-1.0	-49.02	389.63	6.19	-42.83
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CSC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1	REAL300020155000	0	37	-1.0	-40.46	321.27	5.59	-34.87
CSC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC1	REAL300020155000	1	37	-1.0	-40.48	321.21	5.56	-34.92
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020155001	0	35	-1.0	-49.13	318.79	4.24	-44.89
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020155001	1	35	-1.0	-49.13	318.73	4.21	-44.92
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=NN1CC1CCCC1	REAL300020155002	0	48	-1.0	-46.38	385.05	5.63	-40.75
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=NN1CC1CCCC1	REAL300020155002	1	48	-1.0	-46.36	385.00	5.60	-40.76
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CC(C)(C)C(=O)NC1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020155004	0	55	-1.0	-43.51	428.36	6.56	-36.95
CC(C)(C)C(=O)NC1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020155004	1	55	-1.0	-43.56	428.41	6.58	-36.98
CN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=C(Cl)S2)=N1	REAL300020155005	0	40	-1.0	-53.12	375.47	6.67	-46.45
CN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=C(Cl)S2)=N1	REAL300020155005	1	40	-1.0	-53.11	375.42	6.65	-46.46
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COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC(F)F)=C1	REAL300020155007	0	41	-1.0	-56.91	355.06	5.61	-51.30
COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC(F)F)=C1	REAL300020155007	1	41	-1.0	-56.94	355.01	5.59	-51.35
CC(C)NC(=O)NC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCCC1	REAL300020155008	0	54	-1.0	-50.03	421.22	4.69	-45.34
CC(C)NC(=O)NC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCCC1	REAL300020155008	1	54	-1.0	-50.04	421.28	4.71	-45.33
CC(C)(C)C1=CC=C(C(O)CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020155009	0	55	-1.0	-42.29	439.38	7.01	-35.28
CC(C)(C)C1=CC=C(C(O)CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020155009	1	55	-1.0	-42.28	439.44	7.04	-35.24
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CC1=CC(=O)N(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020155011	0	39	-1.0	-51.35	338.85	5.52	-45.83
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CC1=CC=CC(Cl)=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155013	1	39	-1.0	-46.71	344.26	7.17	-39.54
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CCCOC1=CC(OC)=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155120	0	47	-1.0	-44.64	388.68	7.05	-37.59
CCCOC1=CC(OC)=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155120	1	47	-1.0	-44.69	388.62	7.02	-37.67
COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC(C)C)=C1	REAL300020155121	0	47	-1.0	-58.40	385.08	6.86	-51.54
COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC(C)C)=C1	REAL300020155121	1	47	-1.0	-58.35	385.02	6.84	-51.51
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1F	REAL300020155122	0	42	-1.0	-52.84	362.93	7.68	-45.16
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1F	REAL300020155122	1	42	-1.0	-52.85	362.88	7.65	-45.20
CCOC(=O)C1(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1	REAL300020155123	0	45	-1.0	-47.07	374.29	6.71	-40.36
CCOC(=O)C1(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC1	REAL300020155123	1	45	-1.0	-47.10	374.24	6.68	-40.42
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CC(C)N1N=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C1=CC=CC=C1	REAL300020155124	1	49	-1.0	-46.23	405.16	8.12	-38.11
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C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155127	1	45	0.0	-47.90	359.60	7.66	-40.24
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COC(=CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155129	0	41	-1.0	-49.97	349.06	6.84	-43.13
COC(=CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155129	1	41	-1.0	-50.03	349.00	6.81	-43.22
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CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C(Br)S1	REAL300020155131	1	32	-1.0	-41.96	314.28	3.94	-38.02
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COC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155133	0	39	-1.0	-54.80	344.10	6.69	-48.11
COC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155133	1	39	-1.0	-54.82	344.04	6.66	-48.16
CN(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(=O)OCC1=CC=CC=C1	REAL300020155134	0	47	-1.0	-51.90	405.47	7.19	-44.71
CN(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)OCC1=CC=CC=C1	REAL300020155134	1	47	-1.0	-51.94	405.52	7.22	-44.72
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1C	REAL300020155135	0	42	-1.0	-41.44	360.80	6.12	-35.32
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1C	REAL300020155135	1	42	-1.0	-41.43	360.74	6.09	-35.34
COC1=CN=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020155136	0	35	-1.0	-39.43	312.88	0.53	-38.90
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CC(C)(C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1)C(F)(F)F	REAL300020155145	1	45	-1.0	-54.53	377.94	8.07	-46.46
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020155146	0	36	-1.0	-55.13	322.54	6.73	-48.40
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020155146	1	36	-1.0	-55.12	322.48	6.70	-48.42
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CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(Br)=N1	REAL300020155150	0	32	-1.0	-47.38	314.44	3.89	-43.49
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(Br)=N1	REAL300020155150	1	32	-1.0	-47.44	314.50	3.91	-43.53
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CN1C=CC=C1C(=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155154	0	36	-1.0	-49.48	313.37	4.87	-44.61
CN1C=CC=C1C(=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155154	1	36	-1.0	-49.44	313.32	4.84	-44.60
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2CCCC2=CO1	REAL300020155156	1	37	-1.0	-52.48	318.18	5.46	-47.02
CCOC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCC1	REAL300020155157	0	43	-1.0	-40.32	344.03	4.85	-35.47
CCOC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCC1	REAL300020155157	1	43	-1.0	-40.29	343.97	4.83	-35.46
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=NN1CC1=CC=NC=C1	REAL300020155158	0	44	-1.0	-49.34	381.68	4.48	-44.86
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=NN1CC1=CC=NC=C1	REAL300020155158	1	44	-1.0	-49.32	381.62	4.46	-44.86
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COCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155160	0	50	-1.0	-41.98	410.04	2.35	-39.63
COCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155160	1	50	-1.0	-41.98	410.10	2.37	-39.61
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155161	0	48	-1.0	-52.84	410.27	6.57	-46.27
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155161	1	48	-1.0	-52.85	410.21	6.54	-46.31
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCOC1	REAL300020155162	0	51	-1.0	-49.58	405.54	2.71	-46.87
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCOC1	REAL300020155162	1	51	-1.0	-49.59	405.60	2.74	-46.85
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N#CC1=CC(F)=CC(C2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2)=C1	REAL300020155163	1	41	-1.0	-43.88	369.24	7.86	-36.02
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=CC(C#N)=C1	REAL300020155164	0	43	-1.0	-45.72	371.02	7.61	-38.11
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=CC(C#N)=C1	REAL300020155164	1	43	-1.0	-45.75	370.96	7.58	-38.17
NC(=O)CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CO1	REAL300020155165	0	37	-1.0	-49.30	328.06	1.18	-48.12
NC(=O)CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CO1	REAL300020155165	1	37	-1.0	-49.26	328.00	1.16	-48.10
CC(CNC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155166	0	49	-1.0	-45.25	396.95	3.76	-41.49
CC(CNC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155166	1	49	-1.0	-45.31	397.01	3.78	-41.53
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(O)C1=CC=CN=C1	REAL300020155167	1	36	-1.0	-42.92	316.15	2.37	-40.55
CC(OC1=CC=C(C=O)C=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155168	0	42	-1.0	-46.53	361.65	6.39	-40.14
CC(OC1=CC=C(C=O)C=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155168	1	42	-1.0	-46.47	361.59	6.36	-40.11
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CC(C)C1=CC=C2OC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2=C1	REAL300020155171	0	45	-1.0	-44.87	377.18	7.83	-37.04
CC(C)C1=CC=C2OC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2=C1	REAL300020155171	1	45	-1.0	-44.87	377.13	7.80	-37.07
CC[C@H](C)[C@H](NC(C)=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155172	0	45	-1.0	-41.51	360.23	3.98	-37.53
CC[C@H](C)[C@H](NC(C)=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155172	1	45	-1.0	-41.51	360.17	3.96	-37.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2CCOCC2=CO1	REAL300020155173	0	38	-1.0	-52.45	324.80	3.61	-48.84
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2CCOCC2=CO1	REAL300020155173	1	38	-1.0	-52.46	324.74	3.58	-48.88
CCC1OCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155174	0	40	-1.0	-40.20	330.53	4.15	-36.05
CCC1OCCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155174	1	40	-1.0	-40.21	330.47	4.12	-36.09
CC1=CN=C(COCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020155175	0	39	-1.0	-49.77	345.12	2.08	-47.69
CC1=CN=C(COCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020155175	1	39	-1.0	-49.74	345.06	2.06	-47.68
COCC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020155176	0	36	-1.0	-52.39	331.38	2.47	-49.92
COCC1=NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020155176	1	36	-1.0	-52.38	331.33	2.44	-49.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NC(NC(=O)C2CC2)=C1	REAL300020155177	0	43	-1.0	-46.68	372.15	5.73	-40.95
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NC(NC(=O)C2CC2)=C1	REAL300020155177	1	43	-1.0	-46.70	372.09	5.70	-41.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)S1	REAL300020155178	0	33	-1.0	-47.71	321.15	5.73	-41.98
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)S1	REAL300020155178	1	33	-1.0	-47.71	321.09	5.71	-42.00
COC(=O)COCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155179	0	36	-1.0	-59.94	322.32	3.99	-55.95
COC(=O)COCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155179	1	36	-1.0	-59.92	322.26	3.97	-55.95
O=C(NC1=CC=CC=C1)C1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020155180	0	47	-1.0	-51.32	400.56	7.57	-43.75
O=C(NC1=CC=CC=C1)C1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020155180	1	47	-1.0	-51.27	400.51	7.55	-43.72
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C(C(C)C)O1	REAL300020155181	0	41	-1.0	-42.83	349.64	3.10	-39.73
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C(C(C)C)O1	REAL300020155181	1	41	-1.0	-42.83	349.58	3.07	-39.76
CC(C)(C)CCCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155182	0	47	-1.0	-40.49	372.95	7.27	-33.22
CC(C)(C)CCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155182	1	47	-1.0	-40.45	372.89	7.25	-33.20
O=C(COC1=CC=C(CO)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155183	0	41	-1.0	-46.14	354.96	3.38	-42.76
O=C(COC1=CC=C(CO)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155183	1	41	-1.0	-46.10	354.91	3.35	-42.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	REAL300020155184	0	40	-1.0	-44.86	336.53	-2.69	-47.55
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	REAL300020155184	1	40	-1.0	-44.84	336.48	-2.71	-47.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(F)C=CN=C1F	REAL300020155185	0	32	-1.0	-55.51	299.83	3.63	-51.88
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(F)C=CN=C1F	REAL300020155185	1	32	-1.0	-55.51	299.77	3.61	-51.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C(F)(F)F)N=CS1	REAL300020155186	0	32	-1.0	-46.79	309.60	3.79	-43.00
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C(F)(F)F)N=CS1	REAL300020155186	1	32	-1.0	-46.75	309.54	3.77	-42.98
NS(=O)(=O)CCCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155187	0	43	-1.0	-52.98	374.38	0.57	-52.41
NS(=O)(=O)CCCCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155187	1	43	-1.0	-52.96	374.44	0.60	-52.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CSC(C2=CC=CC=C2O)=N1	REAL300020155188	0	42	-1.0	-49.28	373.38	3.12	-46.16
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CSC(C2=CC=CC=C2O)=N1	REAL300020155188	1	42	-1.0	-49.27	373.44	3.15	-46.12
CN(C)S(=O)(=O)N(C)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155189	0	42	-1.0	-45.33	362.56	1.15	-44.18
CN(C)S(=O)(=O)N(C)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155189	1	42	-1.0	-45.30	362.51	1.12	-44.18
NS(=O)(=O)CCCCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155190	0	46	-1.0	-51.08	395.88	1.35	-49.73
NS(=O)(=O)CCCCCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155190	1	46	-1.0	-51.06	395.94	1.38	-49.68
CCCC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)S(N)(=O)=O	REAL300020155191	0	40	-1.0	-47.16	341.55	-0.05	-47.21
CCCC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)S(N)(=O)=O	REAL300020155191	1	40	-1.0	-47.14	341.49	-0.07	-47.21
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155192	0	41	-1.0	-58.73	369.75	-0.25	-58.98
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155192	1	41	-1.0	-58.69	369.69	-0.28	-58.97
CN1C=NC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=C21	REAL300020155193	0	38	-1.0	-54.19	334.10	6.13	-48.06
CN1C=NC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=C21	REAL300020155193	1	38	-1.0	-54.22	334.04	6.10	-48.12
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN2C=CC(Br)=CC2=N1	REAL300020155194	0	36	-1.0	-50.37	340.38	6.66	-43.71
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN2C=CC(Br)=CC2=N1	REAL300020155194	1	36	-1.0	-50.38	340.32	6.64	-43.74
CNS(=O)(=O)N1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020155195	0	46	-1.0	-45.81	381.70	0.64	-45.17
CNS(=O)(=O)N1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020155195	1	46	-1.0	-45.84	381.76	0.67	-45.17
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300020155196	0	52	0.0	-62.36	412.96	9.19	-53.17
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300020155196	1	52	0.0	-62.30	412.91	9.16	-53.14
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155197	0	50	-1.0	-51.62	409.00	5.98	-45.64
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155197	1	50	-1.0	-51.61	409.06	6.00	-45.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN2C=CC=NC2=C1	REAL300020155198	0	35	-1.0	-58.82	314.74	4.35	-54.47
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN2C=CC=NC2=C1	REAL300020155198	1	35	-1.0	-58.83	314.69	4.33	-54.50
CC1=CC=CC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C(Cl)N=C12	REAL300020155199	0	41	-1.0	-58.73	362.62	7.22	-51.51
CC1=CC=CC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C(Cl)N=C12	REAL300020155199	1	41	-1.0	-58.71	362.56	7.20	-51.51
CS(=O)(=O)C1=NC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020155200	0	37	-1.0	-50.23	343.47	0.29	-49.94
CS(=O)(=O)C1=NC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020155200	1	37	-1.0	-50.21	343.41	0.27	-49.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCN(CC(F)F)C1	REAL300020155201	0	44	-1.0	-42.55	352.03	3.79	-38.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCN(CC(F)F)C1	REAL300020155201	1	44	-1.0	-42.45	352.09	3.81	-38.64
N#CC1=CC=C(N2CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2)C(F)=C1	REAL300020155202	0	46	-1.0	-46.76	394.07	6.37	-40.39
N#CC1=CC=C(N2CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2)C(F)=C1	REAL300020155202	1	46	-1.0	-46.74	394.13	6.39	-40.35
NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC(F)(F)F	REAL300020155203	0	39	-1.0	-43.51	348.41	3.35	-40.16
NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC(F)(F)F	REAL300020155203	1	39	-1.0	-43.47	348.35	3.33	-40.14
CC1=CC=NC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020155204	0	41	-1.0	-43.30	347.65	6.47	-36.83
CC1=CC=NC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020155204	1	41	-1.0	-43.31	347.59	6.45	-36.86
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155205	0	42	-1.0	-47.94	353.60	6.53	-41.41
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155205	1	42	-1.0	-47.91	353.55	6.51	-41.40
O=C(C=CC1=CC=C(F)C(F)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155206	0	37	-1.0	-50.90	335.82	6.87	-44.03
O=C(C=CC1=CC=C(F)C(F)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155206	1	37	-1.0	-50.86	335.76	6.85	-44.01
CCC1=CC=CC=C1OCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155207	0	46	-1.0	-41.50	384.74	7.34	-34.16
CCC1=CC=CC=C1OCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155207	1	46	-1.0	-41.51	384.80	7.36	-34.15
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(O)C1=CC=CC(C(F)(F)F)=C1	REAL300020155208	0	40	-1.0	-42.57	359.84	5.18	-37.39
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(O)C1=CC=CC(C(F)(F)F)=C1	REAL300020155208	1	40	-1.0	-42.56	359.89	5.20	-37.36
COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1OC	REAL300020155209	0	44	-1.0	-44.77	363.18	5.59	-39.18
COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1OC	REAL300020155209	1	44	-1.0	-44.75	363.12	5.56	-39.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL300020155210	0	36	-1.0	-51.34	337.34	6.67	-44.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL300020155210	1	36	-1.0	-51.31	337.40	6.70	-44.61
COCCN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)C=C1C	REAL300020155211	0	46	-1.0	-61.57	382.80	5.42	-56.15
COCCN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)C=C1C	REAL300020155211	1	46	-1.0	-61.59	382.74	5.39	-56.20
CC1=NC=C2CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CN21	REAL300020155212	0	43	-1.0	-43.01	352.75	6.19	-36.82
CC1=NC=C2CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CN21	REAL300020155212	1	43	-1.0	-43.05	352.81	6.22	-36.83
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CN21	REAL300020155212	1	44	0.0	-56.52	356.23	6.69	-49.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(OC(F)(F)F)C=N1	REAL300020155213	0	36	-1.0	-46.56	331.83	3.58	-42.98
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(OC(F)(F)F)C=N1	REAL300020155213	1	36	-1.0	-46.53	331.77	3.55	-42.98
CC1=NN=C(COCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020155214	0	38	-1.0	-50.32	348.84	3.30	-47.02
CC1=NN=C(COCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020155214	1	38	-1.0	-50.31	348.90	3.33	-46.98
COC1=CC=CC(C2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2)=C1	REAL300020155215	0	44	-1.0	-44.83	371.53	6.72	-38.11
COC1=CC=CC(C2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2)=C1	REAL300020155215	1	44	-1.0	-44.82	371.47	6.70	-38.12
CCC1=CC=C2OC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2=C1	REAL300020155216	0	42	-1.0	-44.92	360.19	7.33	-37.59
CCC1=CC=C2OC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2=C1	REAL300020155216	1	42	-1.0	-44.92	360.13	7.31	-37.61
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1O	REAL300020155217	0	39	-1.0	-46.26	338.64	4.56	-41.70
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1O	REAL300020155217	1	39	-1.0	-46.30	338.58	4.54	-41.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300020155218	0	55	0.0	-71.10	432.19	9.99	-61.11
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300020155218	1	55	0.0	-60.54	425.95	10.18	-50.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300020155218	1	55	0.0	-71.04	432.25	10.02	-61.02
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300020155218	1	55	0.0	-60.50	426.01	10.21	-50.29
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=COC(SC2=NC=CC=N2)=N1	REAL300020155219	0	38	-1.0	-52.31	356.88	2.24	-50.07
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=COC(SC2=NC=CC=N2)=N1	REAL300020155219	1	38	-1.0	-52.32	356.82	2.21	-50.11
COC(=O)CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC2=CC=CC=C21	REAL300020155220	0	46	-1.0	-45.26	395.23	6.97	-38.29
COC(=O)CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC2=CC=CC=C21	REAL300020155220	1	46	-1.0	-45.21	395.17	6.94	-38.27
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CC1=NC(C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=CS1	REAL300020155238	1	42	-1.0	-43.59	372.54	6.95	-36.64
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CCC(C)(C)C1CCC2(CC2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020155245	1	58	-1.0	-39.84	425.41	9.63	-30.21
CC(O)(CSC1=CC=CC(F)=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155246	0	44	-1.0	-40.24	386.75	4.87	-35.37
CC(O)(CSC1=CC=CC(F)=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155246	1	44	-1.0	-40.25	386.81	4.90	-35.35
CC1=NC=CC=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155247	0	38	-1.0	-51.66	325.06	4.90	-46.76
CC1=NC=CC=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155247	1	38	-1.0	-51.61	325.00	4.88	-46.73
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CN1C=CN=C1C(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020155248	1	42	-1.0	-46.14	365.20	5.93	-40.21
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155249	0	46	-1.0	-62.34	382.32	7.42	-54.92
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CC1=CN=C(S(C)(=O)=O)N=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155250	0	40	-1.0	-48.98	359.54	0.96	-48.02
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155250	1	40	-1.0	-48.95	359.48	0.93	-48.02
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020155251	0	40	-1.0	-47.36	341.15	7.59	-39.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020155251	1	40	-1.0	-47.37	341.10	7.56	-39.81
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC([N+](=O)[O-])=CC=C1F	REAL300020155252	0	35	-1.0	-52.70	321.35	6.30	-46.40
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC([N+](=O)[O-])=CC=C1F	REAL300020155252	1	35	-1.0	-52.71	321.29	6.28	-46.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)C(Cl)=NS1	REAL300020155253	0	29	-1.0	-38.40	306.15	4.12	-34.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)C(Cl)=NS1	REAL300020155253	1	29	-1.0	-38.41	306.09	4.09	-34.32
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=CN=C2)=NO1	REAL300020155254	0	41	-1.0	-48.98	362.95	5.68	-43.30
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=CN=C2)=NO1	REAL300020155254	1	41	-1.0	-48.95	362.89	5.66	-43.29
O=C(CC1=CC=C2N=CSC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155255	0	38	-1.0	-45.53	344.38	5.62	-39.91
O=C(CC1=CC=C2N=CSC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155255	1	38	-1.0	-45.52	344.32	5.60	-39.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300020155256	0	42	-1.0	-44.68	362.65	8.26	-36.42
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300020155256	1	42	-1.0	-44.65	362.60	8.23	-36.42
CNC1=NC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1[N+](=O)[O-]	REAL300020155257	0	39	-1.0	-66.14	347.09	5.36	-60.78
CNC1=NC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1[N+](=O)[O-]	REAL300020155257	1	39	-1.0	-66.12	347.03	5.34	-60.78
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)C=CS1	REAL300020155258	0	30	-1.0	-53.71	294.47	5.08	-48.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)C=CS1	REAL300020155258	1	30	-1.0	-53.69	294.41	5.05	-48.64
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155259	0	50	-1.0	-44.37	413.13	10.05	-34.32
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155259	1	50	-1.0	-44.41	413.18	10.07	-34.34
CN(C)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NC2=CC=CC=C21	REAL300020155260	0	46	-1.0	-51.76	385.87	5.84	-45.92
CN(C)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NC2=CC=CC=C21	REAL300020155260	1	46	-1.0	-51.79	385.81	5.81	-45.98
CC1=CC(=O)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN1C1CC1	REAL300020155261	0	43	-1.0	-54.83	358.39	6.90	-47.93
CC1=CC(=O)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN1C1CC1	REAL300020155261	1	43	-1.0	-54.82	358.33	6.88	-47.94
COC(=O)CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CO1	REAL300020155262	0	39	-1.0	-47.31	345.84	5.15	-42.16
COC(=O)CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CO1	REAL300020155262	1	39	-1.0	-47.32	345.78	5.13	-42.19
CN(C)CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020155263	0	43	-1.0	-41.38	360.24	3.43	-37.95
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020155263	1	44	0.0	-67.32	362.76	5.60	-61.72
CN(C)CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020155263	1	43	-1.0	-41.42	360.30	3.46	-37.96
NC1=NC(C2CCCC2)=NC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155264	0	46	-1.0	-48.06	374.83	5.18	-42.88
NC1=NC(C2CCCC2)=NC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155264	1	46	-1.0	-48.07	374.77	5.16	-42.91
O=C(CC1=COC2=CC=CC=C12)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155265	0	39	-1.0	-45.44	341.15	6.60	-38.84
O=C(CC1=COC2=CC=CC=C12)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155265	1	39	-1.0	-45.45	341.10	6.57	-38.88
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155266	0	46	-1.0	-44.45	391.09	5.53	-38.92
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155266	1	46	-1.0	-44.47	391.15	5.55	-38.92
CN1N=CC=C1COCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155267	0	40	-1.0	-48.82	348.54	4.24	-44.58
CN1N=CC=C1COCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155267	1	40	-1.0	-48.79	348.48	4.22	-44.57
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020155268	0	40	-2.0	-123.69	363.21	4.84	-118.85
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020155268	1	40	-2.0	-123.67	363.15	4.82	-118.85
CC1=CC2=C(C)C=CN=C2C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020155269	0	44	-1.0	-63.64	366.97	7.57	-56.07
CC1=CC2=C(C)C=CN=C2C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020155269	1	44	-1.0	-63.67	366.91	7.55	-56.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL300020155270	0	41	-1.0	-41.82	363.55	6.95	-34.87
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CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NC=C1C(N)=O	REAL300020155321	1	39	-1.0	-53.39	336.77	1.28	-52.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(CC2=CC=CC=C2)CCOCC1	REAL300020155322	0	50	-1.0	-45.14	391.90	7.31	-37.83
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(CC2=CC=CC=C2)CCOCC1	REAL300020155322	1	50	-1.0	-45.11	391.84	7.28	-37.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL300020155323	0	43	-1.0	-44.28	383.24	8.72	-35.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL300020155323	1	43	-1.0	-44.23	383.19	8.70	-35.53
CC1CC2=CC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2O1	REAL300020155324	0	41	-1.0	-60.82	344.54	7.01	-53.81
CC1CC2=CC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2O1	REAL300020155324	1	41	-1.0	-60.85	344.48	6.98	-53.87
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(C)C)=N1	REAL300020155325	0	44	-1.0	-52.70	365.38	6.33	-46.37
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(C)C)=N1	REAL300020155325	1	44	-1.0	-52.71	365.32	6.30	-46.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(CC2CC2)N=N1	REAL300020155326	0	39	-1.0	-48.75	342.60	4.31	-44.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(CC2CC2)N=N1	REAL300020155326	1	39	-1.0	-48.75	342.54	4.28	-44.47
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC=CN=C2S1	REAL300020155327	0	35	-1.0	-44.02	322.50	5.08	-38.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=CN=C2S1	REAL300020155327	1	35	-1.0	-44.02	322.44	5.06	-38.96
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC=NC=C2C=C1	REAL300020155328	0	38	-1.0	-54.97	329.59	6.05	-48.92
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=NC=C2C=C1	REAL300020155328	1	38	-1.0	-55.00	329.53	6.03	-48.97
CC1=CC=C(Br)C=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155329	0	39	-1.0	-41.78	351.24	7.31	-34.47
CC1=CC=C(Br)C=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155329	1	39	-1.0	-41.77	351.30	7.34	-34.43
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=C1CCC2	REAL300020155330	0	43	-1.0	-49.35	350.44	8.02	-41.33
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=C1CCC2	REAL300020155330	1	43	-1.0	-49.37	350.38	8.00	-41.37
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1	REAL300020155331	0	42	-1.0	-44.87	371.40	8.22	-36.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1	REAL300020155331	1	42	-1.0	-44.88	371.46	8.25	-36.63
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C(C)C	REAL300020155332	0	42	-1.0	-54.08	355.75	5.38	-48.70
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C(C)C	REAL300020155332	1	42	-1.0	-54.11	355.70	5.36	-48.75
CN1N=CC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020155333	0	38	-1.0	-43.56	331.24	3.21	-40.35
CN1N=CC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020155333	1	38	-1.0	-43.57	331.18	3.19	-40.38
CCC(CC(F)(F)F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155334	0	38	-1.0	-40.30	319.74	5.40	-34.90
CCC(CC(F)(F)F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155334	1	38	-1.0	-40.31	319.68	5.37	-34.94
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=NN1C1=CN(C)N=C1	REAL300020155335	0	42	-1.0	-45.31	363.85	3.46	-41.85
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=NN1C1=CN(C)N=C1	REAL300020155335	1	42	-1.0	-45.26	363.79	3.43	-41.83
CC1=NN=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020155336	0	34	-1.0	-47.07	314.44	3.00	-44.07
CC1=NN=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020155336	1	34	-1.0	-47.05	314.39	2.98	-44.07
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL300020155337	0	40	-1.0	-49.76	355.42	8.00	-41.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL300020155337	1	40	-1.0	-49.78	355.37	7.97	-41.81
CC1=CC=C(F)C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020155338	0	39	-1.0	-43.66	340.07	6.94	-36.72
CC1=CC=C(F)C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020155338	1	39	-1.0	-43.62	340.01	6.92	-36.70
CC1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Br)=C1	REAL300020155339	0	39	-1.0	-41.94	352.80	7.39	-34.55
CC1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Br)=C1	REAL300020155339	1	39	-1.0	-41.99	352.86	7.41	-34.58
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155340	0	42	-1.0	-49.87	364.25	5.32	-44.55
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155340	1	42	-1.0	-49.87	364.19	5.29	-44.58
C=CCC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCCC1	REAL300020155341	0	46	-1.0	-40.55	352.57	7.60	-32.95
C=CCC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCCC1	REAL300020155341	1	46	-1.0	-40.56	352.51	7.58	-32.98
CC1=CN=CC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020155342	0	41	-1.0	-51.72	350.93	5.90	-45.82
CC1=CN=CC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020155342	1	41	-1.0	-51.73	350.87	5.88	-45.85
O=C(CCC1=CN=CN=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155343	0	37	-1.0	-42.74	324.27	5.05	-37.69
O=C(CCC1=CN=CN=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155343	1	37	-1.0	-42.73	324.21	5.03	-37.70
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC(C(C)C)=N1	REAL300020155344	0	41	-1.0	-48.49	349.89	2.98	-45.51
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC(C(C)C)=N1	REAL300020155344	1	41	-1.0	-48.50	349.84	2.96	-45.54
CC(F)(F)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020155345	0	39	-1.0	-52.14	341.79	7.08	-45.06
CC(F)(F)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020155345	1	39	-1.0	-52.17	341.73	7.05	-45.12
CC(C)CC(CC(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155346	0	50	-1.0	-41.76	377.70	7.39	-34.37
CC(C)CC(CC(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155346	1	50	-1.0	-41.73	377.64	7.37	-34.36
O=C(CC1COC2=CC=CC=C2O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155347	0	42	-1.0	-47.30	356.45	6.10	-41.20
O=C(CC1COC2=CC=CC=C2O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155347	1	42	-1.0	-47.27	356.39	6.08	-41.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NC(OC(F)F)=C1	REAL300020155348	0	36	-1.0	-44.03	327.09	2.98	-41.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NC(OC(F)F)=C1	REAL300020155348	1	36	-1.0	-44.03	327.04	2.96	-41.07
COC1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1OC	REAL300020155349	0	44	-1.0	-45.23	389.39	5.98	-39.25
COC1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1OC	REAL300020155349	1	44	-1.0	-45.22	389.45	6.00	-39.22
O=C(CCCC(=O)C1CC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155350	0	41	-1.0	-48.29	350.53	6.31	-41.98
O=C(CCCC(=O)C1CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155350	1	41	-1.0	-48.27	350.47	6.29	-41.98
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC1	REAL300020155351	0	50	-1.0	-46.27	401.94	4.17	-42.10
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1	REAL300020155351	1	50	-1.0	-46.29	402.00	4.19	-42.10
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C([N+](=O)[O-])C=C1F	REAL300020155352	0	39	-1.0	-59.05	349.94	6.14	-52.91
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C([N+](=O)[O-])C=C1F	REAL300020155352	1	39	-1.0	-59.04	349.88	6.11	-52.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC12CCSCC2	REAL300020155353	0	41	-1.0	-43.32	339.13	6.84	-36.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC12CCSCC2	REAL300020155353	1	41	-1.0	-43.33	339.07	6.82	-36.51
CC(C)C1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020155354	0	38	-1.0	-40.69	333.89	4.67	-36.02
CC(C)C1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020155354	1	38	-1.0	-40.66	333.83	4.65	-36.01
CC1=NC2=CC=NN2C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155355	0	38	-1.0	-43.71	326.44	5.16	-38.55
CC1=NC2=CC=NN2C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155355	1	38	-1.0	-43.66	326.38	5.13	-38.53
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC1C1=CC=CC=C1Cl	REAL300020155356	0	40	-1.0	-56.52	355.39	8.00	-48.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC1C1=CC=CC=C1Cl	REAL300020155356	1	40	-1.0	-56.48	355.33	7.97	-48.51
CC(C)(C)OC(=O)N1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2(CC2)C1	REAL300020155357	0	54	-1.0	-44.53	433.45	6.91	-37.62
CC(C)(C)OC(=O)N1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2(CC2)C1	REAL300020155357	1	54	-1.0	-44.57	433.51	6.93	-37.64
CCCCCC(O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155358	0	42	-1.0	-40.18	349.33	4.19	-35.99
CCCCCC(O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155358	1	42	-1.0	-40.15	349.28	4.17	-35.98
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155359	0	48	-1.0	-45.45	398.96	6.17	-39.28
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155359	1	48	-1.0	-45.46	399.01	6.19	-39.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C2NC=CC2=C1	REAL300020155360	0	36	-1.0	-55.16	314.98	4.83	-50.33
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C2NC=CC2=C1	REAL300020155360	1	36	-1.0	-55.14	314.93	4.80	-50.34
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(S(=O)(=O)C2CC2)C=C1	REAL300020155361	0	43	-1.0	-57.25	380.18	4.84	-52.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(S(=O)(=O)C2CC2)C=C1	REAL300020155361	1	43	-1.0	-57.24	380.12	4.82	-52.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C(=O)C2CC2)CC1	REAL300020155362	0	39	-1.0	-41.50	340.26	6.01	-35.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C(=O)C2CC2)CC1	REAL300020155362	1	39	-1.0	-41.46	340.21	5.99	-35.47
CC(=O)C1=CN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020155363	0	37	-1.0	-49.80	334.16	2.74	-47.06
CC(=O)C1=CN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020155363	1	37	-1.0	-49.79	334.10	2.72	-47.07
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Br)SC=C1	REAL300020155364	0	30	-1.0	-53.33	297.59	5.20	-48.13
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Br)SC=C1	REAL300020155364	1	30	-1.0	-53.35	297.53	5.18	-48.17
COC1=CC=C(OC(F)(F)F)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020155365	0	41	-1.0	-55.15	361.89	5.79	-49.36
COC1=CC=C(OC(F)(F)F)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020155365	1	41	-1.0	-55.16	361.83	5.77	-49.39
O=C(C#CC1=CC=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155366	0	32	-1.0	-51.46	310.11	5.99	-45.47
O=C(C#CC1=CC=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155366	1	32	-1.0	-51.46	310.05	5.97	-45.49
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC2=C1OC(F)(F)O2	REAL300020155367	0	39	-1.0	-40.09	344.04	5.34	-34.75
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC2=C1OC(F)(F)O2	REAL300020155367	1	39	-1.0	-40.08	343.98	5.31	-34.77
COC1=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020155368	0	40	-1.0	-43.76	358.77	6.09	-37.67
COC1=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020155368	1	40	-1.0	-43.79	358.71	6.06	-37.73
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(CCCC2)N1	REAL300020155369	0	41	-1.0	-54.52	339.25	5.76	-48.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(CCCC2)N1	REAL300020155369	1	41	-1.0	-54.52	339.19	5.73	-48.79
O=C(CCC1CCC(=O)N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155370	0	40	-1.0	-47.59	336.95	2.72	-44.87
O=C(CCC1CCC(=O)N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155370	1	40	-1.0	-47.63	336.89	2.70	-44.93
O=C(CC1=CC=C(O)C(F)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155371	0	37	-1.0	-45.27	330.48	3.46	-41.81
O=C(CC1=CC=C(O)C(F)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155371	1	37	-1.0	-45.25	330.42	3.43	-41.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(O)C1=CC=C(Cl)C(Cl)=C1	REAL300020155372	0	37	-1.0	-41.81	353.14	5.14	-36.67
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CN1N=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155373	0	36	-1.0	-42.79	328.63	4.46	-38.33
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CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1Cl	REAL300020155383	1	36	-1.0	-56.29	334.94	7.08	-49.21
CCOC1=NOC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020155384	0	36	-1.0	-46.43	322.12	1.94	-44.49
CCOC1=NOC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020155384	1	36	-1.0	-46.46	322.07	1.92	-44.54
CC(C)(CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)[N+](=O)[O-]	REAL300020155385	0	40	-1.0	-46.44	336.60	5.29	-41.15
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COC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155404	0	43	-1.0	-43.97	366.07	7.07	-36.90
COC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155404	1	43	-1.0	-43.97	366.01	7.05	-36.92
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CCCOC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC)=C1	REAL300020155406	1	47	-1.0	-57.01	388.60	7.04	-49.97
CCOC(=O)C1=C(C)NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020155407	0	43	-1.0	-55.19	372.14	5.45	-49.74
CCOC(=O)C1=C(C)NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020155407	1	43	-1.0	-55.14	372.08	5.43	-49.71
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COC(=O)C1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020155424	1	42	-1.0	-45.48	367.99	6.88	-38.60
COC1=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1O	REAL300020155425	0	41	-1.0	-45.79	353.50	3.36	-42.43
COC1=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1O	REAL300020155425	1	41	-1.0	-45.76	353.44	3.34	-42.42
CC(OCC1=CC=C(F)C=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155426	0	43	-1.0	-52.53	373.33	7.33	-45.20
CC(OCC1=CC=C(F)C=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155426	1	43	-1.0	-52.54	373.39	7.36	-45.18
N#CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC12CCCC2	REAL300020155427	0	41	-1.0	-40.98	348.27	6.64	-34.34
N#CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC12CCCC2	REAL300020155427	1	41	-1.0	-40.93	348.22	6.61	-34.32
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C(C#N)N1	REAL300020155428	0	35	-1.0	-44.23	314.50	4.29	-39.94
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C(C#N)N1	REAL300020155428	1	35	-1.0	-44.19	314.44	4.26	-39.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2CCCN2N=C1	REAL300020155429	0	37	-1.0	-53.79	317.39	4.10	-49.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2CCCN2N=C1	REAL300020155429	1	37	-1.0	-53.74	317.33	4.08	-49.66
C[Si](C)(C)CCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155430	0	44	-1.0	-41.80	368.18	8.64	-33.16
C[Si](C)(C)CCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155430	1	44	-1.0	-41.82	368.13	8.62	-33.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C(=O)N1	REAL300020155431	0	36	-1.0	-58.64	331.01	3.43	-55.21
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)C(=O)N1	REAL300020155431	1	36	-1.0	-58.62	330.95	3.41	-55.21
O=C(CCC1=CC=CC=C1N1CCOCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155432	0	52	-1.0	-41.66	419.94	6.45	-35.21
O=C(CCC1=CC=CC=C1N1CCOCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155432	1	52	-1.0	-41.68	420.00	6.47	-35.21
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C(F)C(Br)=C1	REAL300020155433	0	32	-1.0	-39.14	310.64	4.31	-34.83
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C(F)C(Br)=C1	REAL300020155433	1	32	-1.0	-39.09	310.58	4.28	-34.81
CN1C=C(C=C(C#N)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020155434	0	38	-1.0	-48.06	340.63	4.70	-43.36
CN1C=C(C=C(C#N)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020155434	1	38	-1.0	-48.06	340.58	4.67	-43.39
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155435	0	46	-1.0	-52.51	389.36	6.58	-45.93
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155435	1	46	-1.0	-52.50	389.30	6.56	-45.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2=NC=CN2C1	REAL300020155436	0	40	-1.0	-45.20	332.76	5.66	-39.54
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2=NC=CN2C1	REAL300020155436	1	40	-1.0	-45.23	332.82	5.69	-39.54
N#CC1=C(F)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020155437	0	34	-1.0	-50.04	321.17	6.02	-44.02
N#CC1=C(F)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020155437	1	34	-1.0	-50.04	321.12	6.00	-44.04
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155438	0	40	-1.0	-45.93	344.24	6.76	-39.17
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155438	1	40	-1.0	-45.90	344.30	6.78	-39.12
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(CC(O)CO)N=C1	REAL300020155439	0	41	-1.0	-49.45	357.41	-1.28	-50.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(CC(O)CO)N=C1	REAL300020155439	1	41	-1.0	-49.40	357.36	-1.30	-50.70
CC1=NN=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020155440	0	31	-1.0	-48.24	293.75	2.31	-45.93
CC1=NN=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020155440	1	31	-1.0	-48.24	293.69	2.29	-45.95
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300020155441	0	33	-1.0	-48.96	340.59	6.77	-42.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300020155441	1	33	-1.0	-48.92	340.53	6.75	-42.17
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155442	0	44	-1.0	-60.13	373.75	5.12	-55.01
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155442	1	44	-1.0	-60.16	373.70	5.10	-55.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@H]1CCCN1C(=O)C1=CC=CC=C1	REAL300020155443	0	47	-1.0	-56.45	385.97	7.11	-49.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@H]1CCCN1C(=O)C1=CC=CC=C1	REAL300020155443	1	47	-1.0	-56.49	385.92	7.08	-49.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300020155444	0	38	-1.0	-58.83	354.37	7.81	-51.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300020155444	1	38	-1.0	-58.79	354.31	7.79	-51.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(CCN2C=CC=N2)C=C1	REAL300020155445	0	43	-1.0	-55.51	377.94	5.19	-50.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(CCN2C=CC=N2)C=C1	REAL300020155445	1	43	-1.0	-55.48	377.88	5.17	-50.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC1C1=CC=CC=C1	REAL300020155446	0	46	-1.0	-41.27	372.97	8.69	-32.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC1C1=CC=CC=C1	REAL300020155446	1	46	-1.0	-41.28	372.91	8.66	-32.62
CC(F)(F)C(C)(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155447	0	38	-1.0	-45.23	314.73	5.07	-40.16
CC(F)(F)C(C)(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155447	1	38	-1.0	-45.21	314.67	5.05	-40.16
CCN1C(=O)C[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)[C@H]1C1=CC=CN=C1	REAL300020155448	0	49	-1.0	-50.31	408.79	6.29	-44.02
CCN1C(=O)C[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)[C@H]1C1=CC=CN=C1	REAL300020155448	1	49	-1.0	-50.35	408.73	6.27	-44.08
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155449	0	46	-1.0	-40.68	370.77	3.54	-37.14
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155449	1	46	-1.0	-40.64	370.71	3.51	-37.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL300020155450	0	49	-1.0	-43.48	378.24	8.95	-34.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL300020155450	1	49	-1.0	-43.48	378.18	8.93	-34.55
CC(=O)N[C@H](C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)(C)C	REAL300020155451	0	45	-1.0	-40.79	356.57	3.86	-36.93
CC(=O)N[C@H](C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)(C)C	REAL300020155451	1	45	-1.0	-40.76	356.51	3.84	-36.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C(F)(F)F)CCC1	REAL300020155452	0	36	-1.0	-39.52	312.57	5.54	-33.98
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C(F)(F)F)CCC1	REAL300020155452	1	36	-1.0	-39.50	312.52	5.51	-33.99
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155453	0	55	-1.0	-43.30	433.23	7.08	-36.22
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155453	1	55	-1.0	-43.30	433.28	7.10	-36.20
CC1=NSC(NC2CC2)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155454	0	41	-1.0	-50.09	365.20	4.27	-45.82
CC1=NSC(NC2CC2)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155454	1	41	-1.0	-50.09	365.14	4.25	-45.84
CCN1N=C(C)C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020155455	0	45	-1.0	-46.07	375.91	5.84	-40.23
CCN1N=C(C)C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020155455	1	45	-1.0	-46.06	375.85	5.82	-40.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC=CC(F)=C2N=C1	REAL300020155456	0	38	-1.0	-44.99	336.15	6.01	-38.98
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=CC(F)=C2N=C1	REAL300020155456	1	38	-1.0	-44.97	336.10	5.99	-38.98
CC1=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C	REAL300020155457	0	39	-1.0	-45.78	334.56	4.48	-41.30
CC1=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C	REAL300020155457	1	39	-1.0	-45.81	334.51	4.45	-41.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(C2=CC=C(Cl)C=C2)=C1	REAL300020155458	0	40	-1.0	-41.48	373.69	8.66	-32.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(C2=CC=C(Cl)C=C2)=C1	REAL300020155458	1	40	-1.0	-41.50	373.63	8.63	-32.87
CC1=NN(C(C)C)C(C)=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155459	0	48	-1.0	-45.93	396.68	6.55	-39.38
CC1=NN(C(C)C)C(C)=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155459	1	48	-1.0	-45.92	396.63	6.53	-39.39
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2OCCCN2N=C1	REAL300020155460	0	38	-1.0	-47.32	325.30	2.73	-44.59
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2OCCCN2N=C1	REAL300020155460	1	38	-1.0	-47.32	325.24	2.71	-44.61
COC1=CC(C(F)(F)F)=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155461	0	40	-1.0	-54.41	354.61	7.02	-47.39
COC1=CC(C(F)(F)F)=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155461	1	40	-1.0	-54.43	354.55	6.99	-47.44
CCC1=C(Br)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020155462	0	36	-1.0	-51.27	343.32	6.66	-44.61
CCC1=C(Br)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020155462	1	36	-1.0	-51.28	343.38	6.69	-44.59
CC1=CC(C#N)=CN=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155463	0	36	-1.0	-47.77	322.76	4.92	-42.85
CC1=CC(C#N)=CN=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155463	1	36	-1.0	-47.73	322.70	4.89	-42.84
CC1=CC(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020155464	0	40	-1.0	-51.81	349.80	7.45	-44.36
CC1=CC(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020155464	1	40	-1.0	-51.84	349.75	7.43	-44.41
COC1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020155465	0	43	-1.0	-41.92	346.63	4.80	-37.12
COC1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020155465	1	43	-1.0	-41.89	346.57	4.77	-37.12
O=C(CC1=CSC=C1Br)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155466	0	33	-1.0	-41.19	322.55	5.70	-35.49
O=C(CC1=CSC=C1Br)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155466	1	33	-1.0	-41.18	322.61	5.72	-35.46
CNC(=O)NCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155467	0	38	-1.0	-50.42	328.88	0.22	-50.20
CNC(=O)NCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155467	1	38	-1.0	-50.42	328.82	0.19	-50.23
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(NC2=CC=CC=C2)SC=N1	REAL300020155468	0	41	-1.0	-51.64	363.84	5.45	-46.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(NC2=CC=CC=C2)SC=N1	REAL300020155468	1	41	-1.0	-51.65	363.78	5.42	-46.23
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL300020155469	0	45	-1.0	-48.85	392.65	6.53	-42.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL300020155469	1	45	-1.0	-48.81	392.59	6.50	-42.31
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC(OCC2CCCO2)CC1	REAL300020155470	0	54	-1.0	-42.41	425.39	6.11	-36.30
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC(OCC2CCCO2)CC1	REAL300020155470	1	54	-1.0	-42.45	425.44	6.13	-36.32
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1Br	REAL300020155471	0	33	-1.0	-39.12	301.85	5.27	-33.85
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1Br	REAL300020155471	1	33	-1.0	-39.08	301.79	5.24	-33.84
CCOC1=NNC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020155472	0	37	-1.0	-50.51	325.85	0.78	-49.73
CCOC1=NNC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020155472	1	37	-1.0	-50.51	325.79	0.75	-49.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C(=C1)NC(=O)CNC2=O	REAL300020155473	0	42	-1.0	-46.12	363.08	1.56	-44.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C(=C1)NC(=O)CNC2=O	REAL300020155473	1	42	-1.0	-46.13	363.02	1.53	-44.60
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC2=CC=CC=C21	REAL300020155474	0	48	-1.0	-51.58	380.99	9.03	-42.55
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC2=CC=CC=C21	REAL300020155474	1	48	-1.0	-51.61	380.94	9.01	-42.60
CN(C)C1=CC(C#N)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020155475	0	42	-1.0	-42.57	360.38	6.32	-36.25
CN(C)C1=CC(C#N)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020155475	1	42	-1.0	-42.59	360.32	6.30	-36.29
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C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020155478	0	48	0.0	-71.34	389.47	8.29	-63.05
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020155478	1	48	0.0	-71.35	389.41	8.27	-63.08
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CC(C)(C)N1C=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020155484	0	41	-1.0	-58.22	348.96	5.84	-52.38
CC(C)(C)N1C=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020155484	1	41	-1.0	-58.21	348.91	5.82	-52.39
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COC1=CC=CC(C(=O)CCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020155487	1	48	-1.0	-61.95	405.84	6.95	-55.00
NC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=CC=N1	REAL300020155488	0	41	-1.0	-54.97	355.26	5.46	-49.51
NC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=CC=N1	REAL300020155488	1	41	-1.0	-54.93	355.21	5.44	-49.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300020155489	0	40	-2.0	-123.41	373.53	5.30	-118.11
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300020155489	1	40	-2.0	-123.40	373.47	5.27	-118.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300020155490	0	40	-2.0	-124.07	366.55	4.82	-119.25
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CC(C)(C)C1=NNC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155497	1	42	-1.0	-53.48	339.81	4.36	-49.12
CC(C)(C)C1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1	REAL300020155497	1	42	-1.0	-40.55	338.25	4.32	-36.23
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CC(C)C(=O)NC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020155499	0	45	-1.0	-46.50	381.43	5.61	-40.89
CC(C)C(=O)NC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020155499	1	45	-1.0	-46.49	381.37	5.59	-40.90
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CC1=NC(C(C)C)=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155501	0	44	-1.0	-40.73	359.90	6.28	-34.45
CC1=NC(C(C)C)=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155501	1	44	-1.0	-40.77	359.84	6.25	-34.52
CCC1=NC(C(C)C)=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155502	0	47	-1.0	-40.52	378.57	6.96	-33.56
CCC1=NC(C(C)C)=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155502	1	47	-1.0	-40.49	378.52	6.94	-33.55
CC1CCCN(C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=N2)C1	REAL300020155503	0	50	-1.0	-41.06	400.45	6.82	-34.24
CC1CCCN(C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=N2)C1	REAL300020155503	1	50	-1.0	-41.02	400.39	6.80	-34.22
CN1C=C(Br)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020155504	0	33	-1.0	-54.60	313.46	4.00	-50.60
CN1C=C(Br)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020155504	1	33	-1.0	-54.61	313.40	3.97	-50.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC([N+](=O)[O-])=C1Cl	REAL300020155505	0	35	-1.0	-62.80	325.05	6.59	-56.21
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC([N+](=O)[O-])=C1Cl	REAL300020155505	1	35	-1.0	-62.76	324.99	6.57	-56.19
CN(CC=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)CC(F)(F)F	REAL300020155506	0	41	-1.0	-53.06	358.72	4.12	-48.94
CN(CC=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)CC(F)(F)F	REAL300020155506	1	41	-1.0	-53.06	358.77	4.14	-48.92
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2OCOC2=C1	REAL300020155507	0	42	-1.0	-45.75	355.15	5.44	-40.31
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2OCOC2=C1	REAL300020155507	1	42	-1.0	-45.68	355.09	5.42	-40.26
CC1(C)C(=O)NC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020155508	0	44	-1.0	-43.83	371.84	5.06	-38.77
CC1(C)C(=O)NC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020155508	1	44	-1.0	-43.83	371.78	5.03	-38.80
NS(=O)(=O)C1=NNC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155509	0	35	-1.0	-56.24	319.44	-2.07	-58.31
NS(=O)(=O)C1=NNC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155509	1	35	-1.0	-56.21	319.38	-2.09	-58.30
CC(C)(C)CCC1(O)CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020155510	0	52	-1.0	-42.30	404.49	5.08	-37.22
CC(C)(C)CCC1(O)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020155510	1	52	-1.0	-42.33	404.55	5.10	-37.23
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C2=CC=CC=C2)N=CO1	REAL300020155511	0	39	-1.0	-43.48	342.42	3.82	-39.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C2=CC=CC=C2)N=CO1	REAL300020155511	1	39	-1.0	-43.47	342.36	3.79	-39.68
CS(=O)(=O)CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020155512	0	45	-1.0	-48.02	389.19	4.31	-43.71
CS(=O)(=O)CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020155512	1	45	-1.0	-48.01	389.13	4.28	-43.73
CC1(C)OC(=O)C2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C21	REAL300020155513	0	43	-1.0	-55.01	363.32	8.02	-46.99
CC1(C)OC(=O)C2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C21	REAL300020155513	1	43	-1.0	-55.02	363.26	8.00	-47.02
CC(C)(O)C(OC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155514	0	47	-1.0	-44.42	379.32	4.86	-39.56
CC(C)(O)C(OC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155514	1	47	-1.0	-44.41	379.26	4.84	-39.57
CC(O)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC1	REAL300020155515	0	40	-1.0	-39.34	326.37	2.98	-36.36
CC(O)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC1	REAL300020155515	1	40	-1.0	-39.32	326.31	2.96	-36.36
CCOC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020155516	0	41	-1.0	-49.24	362.63	5.42	-43.82
CCOC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020155516	1	41	-1.0	-49.19	362.57	5.39	-43.80
CC1=CC(Cl)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020155517	0	38	-1.0	-49.39	345.36	7.25	-42.14
CC1=CC(Cl)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020155517	1	38	-1.0	-49.37	345.30	7.22	-42.15
O=C(CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155518	0	43	-1.0	-47.91	382.99	7.51	-40.40
O=C(CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155518	1	43	-1.0	-47.89	383.05	7.54	-40.35
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)[C@H]2C1	REAL300020155519	0	51	-1.0	-47.07	414.14	6.77	-40.30
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)[C@H]2C1	REAL300020155519	1	51	-1.0	-47.09	414.20	6.80	-40.29
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1OCCC2=C1C=CS2	REAL300020155520	0	44	-1.0	-42.23	370.25	6.94	-35.29
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1OCCC2=C1C=CS2	REAL300020155520	1	44	-1.0	-42.20	370.19	6.91	-35.29
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155521	0	51	-1.0	-45.25	406.12	7.01	-38.24
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155521	1	51	-1.0	-45.28	406.18	7.03	-38.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NOC(CN2CCCC2)=C1	REAL300020155522	0	44	-1.0	-41.13	369.36	3.54	-37.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NOC(CN2CCCC2)=C1	REAL300020155522	1	44	-1.0	-41.17	369.42	3.57	-37.60
CN1C=NC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020155523	0	39	-1.0	-48.39	336.91	6.89	-41.50
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CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155548	0	46	-1.0	-41.91	388.16	8.25	-33.66
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CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N2C=C(Cl)C=CC2=N1	REAL300020155549	1	42	-1.0	-52.23	367.88	7.81	-44.42
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COCN1C=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020155551	1	37	-1.0	-52.49	326.48	2.00	-50.49
CC(OCC1=CC=NC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155552	0	42	-1.0	-45.65	361.36	5.51	-40.14
CC(OCC1=CC=NC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155552	1	42	-1.0	-45.66	361.30	5.49	-40.17
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020155553	0	44	-1.0	-50.32	358.44	8.11	-42.21
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020155553	1	44	-1.0	-50.35	358.38	8.08	-42.27
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CN1C(C)C	REAL300020155554	0	43	-1.0	-43.26	354.76	7.06	-36.20
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CN1C(C)C	REAL300020155554	1	43	-1.0	-43.26	354.71	7.03	-36.23
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300020155557	1	47	-1.0	-46.15	387.44	7.50	-38.65
NC(=O)C1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020155558	0	43	-1.0	-46.90	369.19	3.83	-43.07
NC(=O)C1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020155558	1	43	-1.0	-46.90	369.13	3.80	-43.10
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N(C(=O)OC(C)(C)C)C1CC1	REAL300020155559	0	53	-1.0	-43.12	410.56	6.59	-36.53
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N(C(=O)OC(C)(C)C)C1CC1	REAL300020155559	1	53	-1.0	-43.12	410.61	6.62	-36.50
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CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC2=CC=C(C#N)C=C12	REAL300020155561	0	40	-1.0	-42.09	363.20	7.98	-34.11
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC2=CC=C(C#N)C=C12	REAL300020155561	1	40	-1.0	-42.05	363.14	7.96	-34.09
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN2CCCNC2=N1	REAL300020155562	0	38	-1.0	-47.70	326.52	4.52	-43.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN2CCCNC2=N1	REAL300020155562	1	38	-1.0	-47.74	326.47	4.50	-43.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C2CC2)OC=N1	REAL300020155563	0	36	-1.0	-44.69	317.12	2.55	-42.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C2CC2)OC=N1	REAL300020155563	1	36	-1.0	-44.69	317.06	2.53	-42.16
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(F)C=CS1	REAL300020155564	0	30	-1.0	-57.59	285.84	4.63	-52.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(F)C=CS1	REAL300020155564	1	30	-1.0	-57.60	285.79	4.60	-53.00
COCC(C)C(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155565	0	42	-1.0	-41.55	339.77	4.22	-37.33
COCC(C)C(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155565	1	42	-1.0	-41.59	339.71	4.19	-37.40
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COCCOCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020155566	1	47	-1.0	-44.07	399.12	5.48	-38.59
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2=CC=CC(O)=C21	REAL300020155567	1	41	-1.0	-40.54	340.92	4.94	-35.60
CN1C=CC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020155568	0	39	-1.0	-44.50	337.47	4.74	-39.76
CN1C=CC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020155568	1	39	-1.0	-44.52	337.41	4.71	-39.81
COC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC1	REAL300020155569	0	40	-1.0	-42.45	324.82	5.31	-37.14
COC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC1	REAL300020155569	1	40	-1.0	-42.48	324.76	5.28	-37.20
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COC1CCCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155571	0	43	-1.0	-41.02	345.70	5.75	-35.27
COC1CCCCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155571	1	43	-1.0	-41.01	345.64	5.73	-35.28
CC1=CC=C(Br)C(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155572	0	39	-1.0	-40.30	349.13	7.01	-33.29
CC1=CC=C(Br)C(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155572	1	39	-1.0	-40.30	349.07	6.99	-33.31
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CC1=NOC(C)=C1C1=NC(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020155575	0	44	-1.0	-52.75	384.98	5.96	-46.79
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020155575	1	44	-1.0	-52.74	384.92	5.93	-46.81
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COC(=O)CC(C)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155615	0	41	-1.0	-54.50	342.82	5.27	-49.23
COC(=O)CC(C)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155615	1	41	-1.0	-54.48	342.76	5.25	-49.23
CC(C)OC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020155616	0	46	-1.0	-42.48	387.77	8.01	-34.47
CC(C)OC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020155616	1	46	-1.0	-42.43	387.71	7.99	-34.44
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2OCOC2=C1	REAL300020155617	0	45	-1.0	-48.37	369.82	5.80	-42.57
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2OCOC2=C1	REAL300020155617	1	45	-1.0	-48.38	369.76	5.78	-42.60
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C2CC2)N=CO1	REAL300020155618	1	36	-1.0	-51.19	317.10	2.50	-48.69
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)NC1=CC=C(Cl)C(F)=C1	REAL300020155619	0	37	-1.0	-44.79	348.43	4.38	-40.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(=O)NC1=CC=C(Cl)C(F)=C1	REAL300020155619	1	37	-1.0	-44.78	348.37	4.36	-40.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-]	REAL300020155620	0	35	-1.0	-61.32	348.54	8.35	-52.97
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(F)CCCCC1	REAL300020155621	1	39	-1.0	-39.13	319.31	5.73	-33.40
N#CC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020155622	0	33	-1.0	-45.87	306.80	4.14	-41.73
N#CC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020155622	1	33	-1.0	-45.84	306.74	4.11	-41.73
CC1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020155623	0	39	-1.0	-50.74	346.75	6.93	-43.81
CC1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020155623	1	39	-1.0	-50.75	346.69	6.91	-43.84
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020155624	0	36	-1.0	-52.48	318.98	3.67	-48.81
CC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020155624	1	36	-1.0	-52.47	318.93	3.64	-48.83
O=C(CC1CCCC(=O)N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155625	0	40	-1.0	-61.18	330.88	2.90	-58.28
O=C(CC1CCCC(=O)N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155625	1	40	-1.0	-61.17	330.83	2.88	-58.29
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CCOC(=O)C(C)(C)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155660	0	44	-1.0	-39.94	361.95	6.07	-33.87
CCOC(=O)C(C)(C)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155660	1	44	-1.0	-39.94	361.89	6.04	-33.90
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CCOC(=O)NC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=CS1	REAL300020155661	1	40	-1.0	-49.38	361.46	2.24	-47.14
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CN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2CC2)=N1	REAL300020155702	0	40	-1.0	-47.73	343.00	5.49	-42.24
CN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2CC2)=N1	REAL300020155702	1	40	-1.0	-47.71	342.95	5.47	-42.24
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2NC(=O)CSC2=C1	REAL300020155703	1	39	-1.0	-43.80	348.54	4.56	-39.24
CCCC1=NN=C(SCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1N	REAL300020155704	0	44	-1.0	-54.34	390.19	5.29	-49.05
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CCCC1=NC(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020155705	0	41	-1.0	-48.44	350.57	3.16	-45.28
CCCC1=NC(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020155705	1	41	-1.0	-48.41	350.51	3.13	-45.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300020155706	0	46	-1.0	-50.54	368.94	7.35	-43.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300020155706	1	46	-1.0	-50.58	369.00	7.38	-43.20
CC1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020155707	0	41	-1.0	-46.95	360.10	7.55	-39.40
CC1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020155707	1	41	-1.0	-46.95	360.04	7.52	-39.43
CC1(C)COC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020155708	0	44	-1.0	-41.83	365.32	6.53	-35.30
CC1(C)COC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020155708	1	44	-1.0	-41.80	365.27	6.50	-35.30
CC1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=N1	REAL300020155709	0	38	-1.0	-49.78	343.80	5.40	-44.38
CC1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=N1	REAL300020155709	1	38	-1.0	-49.81	343.74	5.38	-44.43
CC(C)[NH+]1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020155710	0	48	0.0	-62.77	368.06	6.81	-55.96
CC(C)[NH+]1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020155710	1	48	0.0	-62.77	368.01	6.78	-55.99
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CCC(F)(CC1)CC2	REAL300020155711	0	43	-1.0	-50.62	340.01	6.68	-43.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C12CCC(F)(CC1)CC2	REAL300020155711	1	43	-1.0	-50.64	339.96	6.65	-43.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCOC(C2=CC=CC=C2)O1	REAL300020155712	0	45	-1.0	-46.65	370.25	6.52	-40.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCOC(C2=CC=CC=C2)O1	REAL300020155712	1	45	-1.0	-46.68	370.30	6.55	-40.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=CC=CC(Cl)=C2)CC(=O)C1	REAL300020155713	0	42	-1.0	-50.99	374.22	7.42	-43.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC=CC(Cl)=C2)CC(=O)C1	REAL300020155713	1	42	-1.0	-50.97	374.17	7.39	-43.58
CC(C)C(=O)N[C@@H](CO)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155714	0	43	-1.0	-43.22	361.98	-0.06	-43.28
CC(C)C(=O)N[C@@H](CO)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155714	1	43	-1.0	-43.19	361.92	-0.08	-43.27
CN1N=NC2=C1CC(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)CC2	REAL300020155715	0	42	-1.0	-45.04	348.13	4.30	-40.74
CN1N=NC2=C1CC(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)CC2	REAL300020155715	1	42	-1.0	-45.04	348.07	4.27	-40.77
COC1=CC=CC2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)NN=C21	REAL300020155716	0	40	-1.0	-44.18	344.82	3.57	-40.61
COC1=CC=CC2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)NN=C21	REAL300020155716	1	40	-1.0	-44.16	344.76	3.55	-40.61
COC1=C2NN=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2=CC=C1	REAL300020155716	1	40	-1.0	-43.79	347.00	3.52	-40.27
COC1=C2NN=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2=CC=C1	REAL300020155716	1	40	-1.0	-43.75	346.94	3.49	-40.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300020155717	0	40	-2.0	-126.02	356.79	4.78	-121.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300020155717	1	40	-2.0	-126.05	356.73	4.75	-121.30
CCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CN1C	REAL300020155718	0	40	-1.0	-54.14	335.33	6.35	-47.79
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CN1C	REAL300020155718	1	40	-1.0	-54.10	335.27	6.32	-47.78
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(CC2=CC=CC(F)=C2)CCCCC1	REAL300020155719	1	52	-1.0	-46.31	408.05	9.60	-36.71
CC(C)(C)OC(=O)N1CC(C(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020155720	0	50	-1.0	-49.01	410.81	5.53	-43.48
CC(C)(C)OC(=O)N1CC(C(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020155720	1	50	-1.0	-49.01	410.87	5.56	-43.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(CC2=CC=CS2)CCCCC1	REAL300020155721	0	49	-1.0	-46.41	391.64	8.71	-37.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(CC2=CC=CS2)CCCCC1	REAL300020155721	1	49	-1.0	-46.42	391.59	8.68	-37.74
CC1=NC(Cl)=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155722	0	35	-1.0	-37.83	332.04	5.31	-32.52
CC1=NC(Cl)=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155722	1	35	-1.0	-37.84	331.99	5.29	-32.55
N#CC1=CC=NC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155723	0	33	-1.0	-61.62	301.18	4.03	-57.59
N#CC1=CC=NC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155723	1	33	-1.0	-61.64	301.12	4.01	-57.63
CC1=NOC(CN2N=NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2C)=C1	REAL300020155724	0	44	-1.0	-46.94	384.93	4.45	-42.49
CC1=NOC(CN2N=NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2C)=C1	REAL300020155724	1	44	-1.0	-46.92	384.88	4.43	-42.49
O=C(CN1C=C(Cl)C=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155725	0	33	-1.0	-46.74	310.52	4.19	-42.55
O=C(CN1C=C(Cl)C=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155725	1	33	-1.0	-46.69	310.46	4.16	-42.53
CC(C)(C)C1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020155726	0	43	-1.0	-40.19	360.48	5.53	-34.66
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CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(C(=O)OC(C)(C)C)=C1	REAL300020155812	0	51	-1.0	-41.14	419.67	8.92	-32.22
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(C(=O)OC(C)(C)C)=C1	REAL300020155812	1	51	-1.0	-41.11	419.61	8.90	-32.21
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CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155816	0	53	-1.0	-41.83	418.37	5.29	-36.54
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155816	1	53	-1.0	-41.86	418.43	5.32	-36.54
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C[C@]1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C[C@@H]1C1=CC=CC=C1	REAL300020155879	0	43	-1.0	-41.29	353.55	8.01	-33.28
C[C@]1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C[C@@H]1C1=CC=CC=C1	REAL300020155879	1	43	-1.0	-41.28	353.49	7.98	-33.30
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CC1=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020155880	1	38	-1.0	-41.83	338.55	4.76	-37.07
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020155882	0	52	0.0	-65.53	408.53	9.31	-56.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020155882	1	52	0.0	-65.47	408.47	9.29	-56.18
CC(C)OC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300020155883	0	45	-1.0	-42.45	383.77	7.82	-34.63
CC(C)OC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300020155883	1	45	-1.0	-42.38	383.71	7.80	-34.58
CC1=CC=CC=C1N1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020155884	0	42	-1.0	-49.19	366.88	6.17	-43.02
CC1=CC=CC=C1N1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020155884	1	42	-1.0	-49.17	366.82	6.14	-43.03
CCOC1=CC=C(CC(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020155885	0	49	-1.0	-41.19	401.55	7.70	-33.49
CCOC1=CC=C(CC(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020155885	1	49	-1.0	-41.23	401.61	7.73	-33.50
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL300020155887	1	42	-1.0	-44.53	369.36	8.26	-36.27
CC1(C)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C2O1	REAL300020155888	0	47	-1.0	-42.90	374.27	7.45	-35.45
CC1(C)CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C2O1	REAL300020155888	1	47	-1.0	-42.88	374.21	7.42	-35.46
CCCN1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1=O	REAL300020155889	0	43	-1.0	-47.32	358.87	4.91	-42.41
CCCN1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1=O	REAL300020155889	1	43	-1.0	-47.35	358.81	4.88	-42.47
CC(OC1=CC=CC=N1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155890	0	39	-1.0	-44.18	338.96	4.37	-39.81
CC(OC1=CC=CC=N1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155890	1	39	-1.0	-44.18	338.90	4.34	-39.84
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CN1N=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=C1CCCC2	REAL300020155891	1	43	-1.0	-55.81	354.11	5.68	-50.13
CCC(CC)OC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020155892	0	49	-1.0	-52.26	393.68	7.81	-44.45
CCC(CC)OC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020155892	1	49	-1.0	-52.25	393.62	7.79	-44.46
O=C(CC1=CC=CC=C1OC1CCOC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155893	0	48	-1.0	-46.00	397.31	5.93	-40.07
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C=CCC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCC1	REAL300020155894	0	43	-1.0	-40.77	342.48	7.17	-33.60
C=CCC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCC1	REAL300020155894	1	43	-1.0	-40.75	342.43	7.14	-33.61
COC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C	REAL300020155895	0	37	-1.0	-54.42	325.31	2.54	-51.88
COC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C	REAL300020155895	1	37	-1.0	-54.42	325.25	2.52	-51.90
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COC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020155898	0	42	-1.0	-49.94	350.52	5.80	-44.14
COC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020155898	1	42	-1.0	-49.94	350.46	5.78	-44.16
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COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155901	1	44	-1.0	-50.91	369.49	6.91	-44.00
CCC1=CC=CC=C1N1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020155902	0	45	-1.0	-49.09	380.43	6.75	-42.34
CCC1=CC=CC=C1N1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020155902	1	45	-1.0	-49.12	380.38	6.72	-42.40
CC1=CC(Cl)=NC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155903	0	35	-1.0	-39.76	316.76	4.89	-34.87
CC1=CC(Cl)=NC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155903	1	35	-1.0	-39.69	316.70	4.87	-34.82
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CN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2CCC2)=N1	REAL300020155906	0	43	-1.0	-57.28	359.24	5.97	-51.31
CN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2CCC2)=N1	REAL300020155906	1	43	-1.0	-57.29	359.18	5.95	-51.34
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CC(C)CC(C(N)=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155909	0	42	-1.0	-44.82	346.38	1.93	-42.89
CC(C)CC(C(N)=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155909	1	42	-1.0	-44.80	346.33	1.90	-42.90
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300020155910	1	36	-1.0	-39.17	351.32	7.19	-31.98
CCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=NN1CC1=CC=CC=C1	REAL300020155911	0	48	-1.0	-44.94	405.81	6.89	-38.05
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=NN1CC1=CC=CC=C1	REAL300020155911	1	48	-1.0	-44.94	405.75	6.86	-38.08
CCCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CN1	REAL300020155912	0	40	-1.0	-54.07	336.95	5.51	-48.56
CCCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CN1	REAL300020155912	1	40	-1.0	-54.08	336.89	5.48	-48.60
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(=O)C2=CC=C(Cl)C=C2O1	REAL300020155914	1	38	-1.0	-49.78	355.16	6.30	-43.48
CC(C)(C)OC(=O)NC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC1	REAL300020155915	0	53	-1.0	-45.09	415.76	5.78	-39.31
CC(C)(C)OC(=O)NC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC1	REAL300020155915	1	53	-1.0	-45.08	415.82	5.80	-39.28
CC(C)=CCOC1=CC=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020155916	0	50	-1.0	-52.48	416.85	8.46	-44.02
CC(C)=CCOC1=CC=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020155916	1	50	-1.0	-52.47	416.91	8.49	-43.98
COC(CC(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155917	0	42	-1.0	-43.12	344.97	5.39	-37.73
COC(CC(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155917	1	42	-1.0	-43.12	344.92	5.36	-37.76
COCCN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020155918	0	39	-1.0	-48.36	344.92	1.80	-46.56
COCCN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020155918	1	39	-1.0	-48.31	344.86	1.78	-46.53
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1SCCCS1	REAL300020155919	0	35	-1.0	-42.22	313.77	5.53	-36.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1SCCCS1	REAL300020155919	1	35	-1.0	-42.22	313.71	5.50	-36.72
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(S(=O)(=O)C2CCC2)C=C1	REAL300020155920	0	46	-1.0	-57.52	396.73	5.38	-52.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(S(=O)(=O)C2CCC2)C=C1	REAL300020155920	1	46	-1.0	-57.54	396.79	5.40	-52.14
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C(F)(F)F)N=C2C=CC=CN21	REAL300020155921	1	39	-1.0	-46.38	359.70	6.77	-39.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300020155922	0	39	-1.0	-50.21	344.55	4.28	-45.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300020155922	1	39	-1.0	-50.18	344.49	4.26	-45.92
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1COCC[C@@H]1C1=CC=CC=C1	REAL300020155923	1	47	-1.0	-55.47	370.87	6.70	-48.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C(F)(F)F)CCCC1	REAL300020155924	0	39	-1.0	-39.34	328.56	6.10	-33.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C(F)(F)F)CCCC1	REAL300020155924	1	39	-1.0	-39.32	328.51	6.07	-33.25
COC1=CC=C2ON=C(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2=C1	REAL300020155925	0	42	-1.0	-48.23	366.13	4.84	-43.39
COC1=CC=C2ON=C(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2=C1	REAL300020155925	1	42	-1.0	-48.25	366.07	4.82	-43.43
O=C(CC1=NOC2=CC=C(F)C=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155926	0	38	-1.0	-46.44	343.08	5.62	-40.82
O=C(CC1=NOC2=CC=C(F)C=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155926	1	38	-1.0	-46.43	343.02	5.59	-40.84
COC1CCCCN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1=O	REAL300020155927	0	47	-1.0	-51.06	377.48	5.32	-45.74
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CC(=O)NC1=CC=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020155978	1	43	-1.0	-47.62	369.49	5.10	-42.52
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COC(=O)N1CC2CCC1C(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C2	REAL300020155980	1	48	-1.0	-49.68	381.74	6.11	-43.57
COC(=O)N1CC2C=CC1C(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C2	REAL300020155981	0	46	-1.0	-51.51	373.71	6.17	-45.34
COC(=O)N1CC2C=CC1C(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C2	REAL300020155981	1	46	-1.0	-51.49	373.65	6.14	-45.35
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CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1(F)Cl	REAL300020155982	1	33	-1.0	-40.58	301.94	5.14	-35.44
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CC(C)(C)OC(=O)NC(CCCC#N)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155985	0	53	-1.0	-46.14	432.92	5.04	-41.10
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155985	1	53	-1.0	-46.13	432.98	5.07	-41.06
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CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155986	1	47	-1.0	-48.12	388.43	3.93	-44.19
CC(C)(C)N1N=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1N	REAL300020155987	0	44	-1.0	-50.74	357.47	4.39	-46.35
CC(C)(C)N1N=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1N	REAL300020155987	1	44	-1.0	-50.70	357.41	4.37	-46.33
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155988	0	49	-1.0	-43.39	409.17	8.62	-34.77
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155988	1	49	-1.0	-43.39	409.11	8.59	-34.80
CC1=CC=C(C2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCC2)C=C1	REAL300020155989	0	46	-1.0	-40.64	373.21	8.60	-32.04
CC1=CC=C(C2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCC2)C=C1	REAL300020155989	1	46	-1.0	-40.64	373.15	8.58	-32.06
CN1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC1=O	REAL300020155990	0	36	-1.0	-51.05	311.19	1.02	-50.03
CN1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC1=O	REAL300020155990	1	36	-1.0	-51.04	311.13	1.00	-50.04
CCC(CC)(CO)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155991	0	42	-1.0	-43.73	331.77	2.19	-41.54
CCC(CC)(CO)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155991	1	42	-1.0	-43.76	331.71	2.16	-41.60
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O=C(CC1=NN=C(C2=CC=CC=C2)O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155993	0	41	-1.0	-49.29	364.77	2.20	-47.09
O=C(CC1=NN=C(C2=CC=CC=C2)O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155993	1	41	-1.0	-49.25	364.72	2.18	-47.07
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020155994	0	45	0.0	-85.60	373.49	5.49	-80.11
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020155994	1	45	0.0	-85.64	373.44	5.47	-80.17
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020155995	0	45	0.0	-59.50	367.72	5.46	-54.04
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020155995	1	45	0.0	-59.47	367.66	5.44	-54.03
CC1=C(C)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020155996	0	43	-1.0	-50.58	344.63	6.88	-43.70
CC1=C(C)CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020155996	1	43	-1.0	-50.57	344.57	6.86	-43.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN2CCCC2=N1	REAL300020155997	0	37	-1.0	-47.27	318.17	5.14	-42.13
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN2CCCC2=N1	REAL300020155997	1	37	-1.0	-47.26	318.11	5.12	-42.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300020155998	0	36	-1.0	-44.25	349.86	7.11	-37.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300020155998	1	36	-1.0	-44.28	349.92	7.13	-37.15
CN1C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(=O)C2=CC=CC=C21	REAL300020155999	0	42	-1.0	-55.48	359.47	6.36	-49.12
CN1C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(=O)C2=CC=CC=C21	REAL300020155999	1	42	-1.0	-55.45	359.41	6.34	-49.11
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(SC(F)(F)F)O1	REAL300020156000	0	34	-1.0	-47.43	333.96	5.30	-42.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(SC(F)(F)F)O1	REAL300020156000	1	34	-1.0	-47.44	334.02	5.32	-42.12
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(O)=C1OC(F)(F)F	REAL300020156001	0	38	-1.0	-60.65	343.29	4.21	-56.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(O)=C1OC(F)(F)F	REAL300020156001	1	38	-1.0	-60.63	343.23	4.19	-56.44
CC(C)(C)OC(=O)CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC1	REAL300020156002	0	51	-1.0	-48.05	403.43	7.81	-40.24
CC(C)(C)OC(=O)CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1	REAL300020156002	1	51	-1.0	-48.08	403.49	7.84	-40.24
CON1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020156003	0	42	-1.0	-41.50	337.72	2.94	-38.56
CON1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020156003	1	42	-1.0	-41.47	337.67	2.91	-38.56
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300020156004	0	45	0.0	-68.69	345.55	5.67	-63.02
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300020156004	1	45	0.0	-67.70	350.92	5.93	-61.77
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC[N@@H+]1C	REAL300020156004	1	45	0.0	-68.68	345.49	5.64	-63.04
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC[N@H+]1C	REAL300020156004	1	45	0.0	-67.70	350.86	5.91	-61.79
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NC=C1	REAL300020156005	0	38	-1.0	-45.30	324.34	5.02	-40.28
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NC=C1	REAL300020156005	1	38	-1.0	-45.29	324.28	5.00	-40.29
COC1=CC=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020156006	0	36	-1.0	-53.95	315.56	3.17	-50.78
COC1=CC=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020156006	1	36	-1.0	-53.99	315.50	3.14	-50.85
CC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N1C=C(Br)C=N1	REAL300020156007	0	39	-1.0	-41.84	351.61	5.30	-36.54
CC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1C=C(Br)C=N1	REAL300020156007	1	39	-1.0	-41.80	351.56	5.28	-36.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC2=CC(Cl)=CN=C12	REAL300020156008	0	35	-1.0	-49.82	337.14	5.68	-44.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC2=CC(Cl)=CN=C12	REAL300020156008	1	35	-1.0	-49.84	337.09	5.65	-44.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL300020156009	0	39	-1.0	-51.02	349.31	5.83	-45.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL300020156009	1	39	-1.0	-51.02	349.25	5.80	-45.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300020156010	0	40	-1.0	-42.69	356.00	6.79	-35.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300020156010	1	40	-1.0	-42.68	355.94	6.76	-35.92
CCOC(=O)C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCC1	REAL300020156011	0	45	-1.0	-40.47	368.00	6.75	-33.72
CCOC(=O)C1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCC1	REAL300020156011	1	45	-1.0	-40.45	367.95	6.73	-33.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN2CCCCC2=C1	REAL300020156012	0	41	-1.0	-59.47	340.19	6.79	-52.68
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN2CCCCC2=C1	REAL300020156012	1	41	-1.0	-59.45	340.13	6.77	-52.68
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156013	0	38	-1.0	-46.23	341.66	6.85	-39.38
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156013	1	38	-1.0	-46.24	341.61	6.83	-39.41
C[C@@H]1[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300020156014	0	42	0.0	-71.61	324.39	4.99	-66.62
C[C@@H]1[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300020156014	1	42	0.0	-67.88	330.83	5.43	-62.45
C[C@@H]1[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC[N@@H+]1C	REAL300020156014	1	42	0.0	-71.57	324.33	4.97	-66.60
C[C@@H]1[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC[N@H+]1C	REAL300020156014	1	42	0.0	-67.91	330.78	5.40	-62.51
CC1=C([N+](=O)[O-])C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020156015	0	40	-1.0	-50.04	355.55	7.23	-42.81
CC1=C([N+](=O)[O-])C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020156015	1	40	-1.0	-50.05	355.50	7.21	-42.84
O=C(CNS(=O)(=O)C1=CC=CN=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156016	0	40	-1.0	-50.19	362.04	0.18	-50.01
O=C(CNS(=O)(=O)C1=CC=CN=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156016	1	40	-1.0	-50.18	361.98	0.15	-50.03
CCNC1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020156017	0	37	-1.0	-50.11	335.01	3.45	-46.66
CCNC1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020156017	1	37	-1.0	-50.08	334.95	3.43	-46.65
NC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020156018	0	36	-1.0	-42.13	321.91	3.38	-38.75
NC1=NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020156018	1	36	-1.0	-42.12	321.85	3.36	-38.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(NC2=CC=CC=C2)CC1	REAL300020156019	0	42	-1.0	-43.27	354.41	5.98	-37.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(NC2=CC=CC=C2)CC1	REAL300020156019	1	42	-1.0	-43.21	354.35	5.96	-37.25
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156020	0	42	-1.0	-42.64	374.16	7.99	-34.65
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156020	1	42	-1.0	-42.67	374.22	8.01	-34.66
COCC1(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020156021	0	40	-1.0	-40.58	336.73	4.33	-36.25
COCC1(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020156021	1	40	-1.0	-40.57	336.67	4.31	-36.26
CN1N=C(C2CC2)N=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156022	0	42	-1.0	-48.62	361.80	5.68	-42.94
CN1N=C(C2CC2)N=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156022	1	42	-1.0	-48.64	361.74	5.66	-42.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2=NC=NC=C2C1	REAL300020156023	0	41	-1.0	-42.14	342.89	5.90	-36.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2=NC=NC=C2C1	REAL300020156023	1	41	-1.0	-42.11	342.83	5.87	-36.24
CC1(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1(F)Cl	REAL300020156024	0	36	-1.0	-38.92	323.94	5.80	-33.12
CC1(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1(F)Cl	REAL300020156024	1	36	-1.0	-38.95	323.88	5.78	-33.17
COC1=CC=C2C(=C1)C(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=C(C)N2C	REAL300020156025	0	47	-1.0	-61.01	394.69	6.93	-54.08
COC1=CC=C2C(=C1)C(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=C(C)N2C	REAL300020156025	1	47	-1.0	-61.00	394.63	6.91	-54.09
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020156026	0	47	-1.0	-49.03	395.65	6.54	-42.49
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020156026	1	47	-1.0	-49.04	395.60	6.52	-42.52
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CC1=CN=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CN12	REAL300020156124	1	39	-1.0	-60.82	336.95	6.65	-54.17
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CC1CC2=CNN=C2C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020156127	0	43	-1.0	-45.85	352.11	5.11	-40.74
CC1CC2=CNN=C2C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020156127	1	43	-1.0	-45.91	352.05	5.08	-40.83
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCO1	REAL300020156128	0	49	-1.0	-42.16	396.63	5.85	-36.31
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCO1	REAL300020156128	1	49	-1.0	-42.16	396.68	5.88	-36.28
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CC(C)CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1C=CN=C1	REAL300020156132	0	45	-1.0	-46.82	370.19	7.62	-39.20
CC(C)CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N1C=CN=C1	REAL300020156132	1	45	-1.0	-46.80	370.25	7.65	-39.15
CN1C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN=C1Cl	REAL300020156133	0	33	-1.0	-42.77	302.89	4.59	-38.18
CN1C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN=C1Cl	REAL300020156133	1	33	-1.0	-42.75	302.83	4.56	-38.19
CN1CCCC1C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1	REAL300020156134	0	45	-1.0	-50.75	375.02	2.48	-48.27
CN1CCCC1C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020156134	1	45	-1.0	-50.76	375.08	2.51	-48.25
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020156134	1	46	0.0	-69.81	374.59	5.05	-64.76
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020156134	1	46	0.0	-68.29	370.36	4.56	-63.73
CN1C(=O)CSC1=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156135	0	36	-1.0	-43.16	321.57	4.03	-39.13
CN1C(=O)CSC1=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156135	1	36	-1.0	-43.13	321.51	4.00	-39.13
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC(C2=CC=CC=C2)=NO1	REAL300020156136	0	44	-1.0	-43.17	375.88	6.45	-36.72
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC(C2=CC=CC=C2)=NO1	REAL300020156136	1	44	-1.0	-43.17	375.83	6.42	-36.75
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CN(C)C(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1	REAL300020156138	0	44	-1.0	-52.53	381.01	5.76	-46.77
CN(C)C(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1	REAL300020156138	1	44	-1.0	-52.55	380.95	5.74	-46.81
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1	REAL300020156139	0	48	-1.0	-39.96	385.05	7.34	-32.62
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC1	REAL300020156139	1	48	-1.0	-39.98	384.99	7.31	-32.67
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CC(=CC1=CC=CC=N1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156142	1	39	-1.0	-52.31	332.29	6.53	-45.78
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CC(=CC1=CC=CN=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156143	1	39	-1.0	-53.68	331.17	5.56	-48.12
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CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC(=O)C2=CC=CC=C21	REAL300020156145	0	42	-1.0	-53.73	359.91	4.97	-48.76
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC(=O)C2=CC=CC=C21	REAL300020156145	1	42	-1.0	-53.75	359.86	4.95	-48.80
CC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N1CCC2=CC=CC=C21	REAL300020156146	0	48	-1.0	-46.14	378.39	6.51	-39.63
CC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1CCC2=CC=CC=C21	REAL300020156146	1	48	-1.0	-46.12	378.33	6.49	-39.63
CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020156147	0	43	-1.0	-44.87	368.39	5.38	-39.49
CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020156147	1	43	-1.0	-44.86	368.33	5.36	-39.50
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(NC2CC2)=N1	REAL300020156148	0	44	-1.0	-40.84	371.33	5.72	-35.12
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(NC2CC2)=N1	REAL300020156148	1	44	-1.0	-40.80	371.27	5.70	-35.10
CC1=CC=C(C2=NC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)S2)C=C1C	REAL300020156149	0	45	-1.0	-52.70	393.77	7.68	-45.02
CC1=CC=C(C2=NC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)S2)C=C1C	REAL300020156149	1	45	-1.0	-52.68	393.71	7.66	-45.02
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156150	0	42	-1.0	-43.13	374.18	6.12	-37.01
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2(CC2(F)F)CC1	REAL300020156152	0	43	-1.0	-44.38	350.85	7.06	-37.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2(CC2(F)F)CC1	REAL300020156152	1	43	-1.0	-44.40	350.91	7.09	-37.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(F)F)C=C1F	REAL300020156153	0	36	-1.0	-62.37	327.31	6.56	-55.81
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C(F)F)C=C1F	REAL300020156153	1	36	-1.0	-62.33	327.25	6.53	-55.80
O=C(CC1OCC2=CC(Cl)=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156154	0	41	-1.0	-48.54	364.37	6.73	-41.81
O=C(CC1OCC2=CC(Cl)=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156154	1	41	-1.0	-48.57	364.43	6.75	-41.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(OCC(F)(F)F)O1	REAL300020156155	0	37	-1.0	-49.01	346.46	5.35	-43.66
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(OCC(F)(F)F)O1	REAL300020156155	1	37	-1.0	-49.03	346.52	5.37	-43.66
NC1=C(Cl)C(F)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020156156	0	35	-1.0	-48.65	334.02	4.64	-44.01
NC1=C(Cl)C(F)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Cl	REAL300020156156	1	35	-1.0	-48.64	333.97	4.62	-44.02
CS(=O)(=O)C1=CC=C(NCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020156157	0	44	-1.0	-48.76	386.74	2.03	-46.73
CS(=O)(=O)C1=CC=C(NCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020156157	1	44	-1.0	-48.79	386.79	2.05	-46.74
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COC1=CC=CC(O)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156159	0	38	-1.0	-59.80	332.25	1.96	-57.84
COC1=CC=CC(O)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156159	1	38	-1.0	-59.75	332.19	1.93	-57.82
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(N2CCCCC2)=N1	REAL300020156160	0	44	-1.0	-41.74	373.53	5.06	-36.68
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CCC(CC)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(=O)OC(C)(C)C	REAL300020156162	0	53	-1.0	-45.57	413.50	8.42	-37.15
CCC(CC)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)OC(C)(C)C	REAL300020156162	1	53	-1.0	-45.57	413.56	8.45	-37.12
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CC(C)(C)OC(=O)N1CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020156165	1	51	-1.0	-52.60	407.70	6.49	-46.11
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CN1CCC(CC2=CC=CC=C2)(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1=O	REAL300020156167	0	50	-1.0	-46.16	398.09	7.86	-38.30
CN1CCC(CC2=CC=CC=C2)(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1=O	REAL300020156167	1	50	-1.0	-46.13	398.03	7.83	-38.30
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CN1C(=O)[C@H](O)[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)[C@H]1C1=CC=CC=C1	REAL300020156168	1	48	-1.0	-53.63	397.81	4.63	-49.00
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CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC=CCC1	REAL300020156171	0	52	-1.0	-40.23	411.05	8.10	-32.13
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC=CCC1	REAL300020156171	1	52	-1.0	-40.21	411.10	8.12	-32.09
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CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC2CCC1C2	REAL300020156270	1	55	-1.0	-41.41	422.97	8.55	-32.86
CC(C)(C)OC(=O)C1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020156271	0	54	-1.0	-46.62	417.17	8.30	-38.32
CC(C)(C)OC(=O)C1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020156271	1	54	-1.0	-46.59	417.22	8.32	-38.27
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COC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC(F)(F)CC1	REAL300020156273	0	43	-1.0	-40.98	345.53	4.49	-36.49
COC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC(F)(F)CC1	REAL300020156273	1	43	-1.0	-40.94	345.59	4.52	-36.42
CN1C=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C1=CC=CC=C1	REAL300020156274	0	44	-1.0	-51.86	368.32	8.45	-43.41
CN1C=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C1=CC=CC=C1	REAL300020156274	1	44	-1.0	-51.87	368.27	8.43	-43.44
CCCCCC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020156275	0	45	-1.0	-52.09	379.34	5.67	-46.42
CCCCCC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1	REAL300020156275	1	45	-1.0	-52.06	379.28	5.64	-46.42
CC(C)[C@H](NCC(F)(F)F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156276	0	43	-1.0	-43.28	367.03	4.22	-39.06
CC(C)[C@H](NCC(F)(F)F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156276	1	43	-1.0	-43.28	367.09	4.25	-39.03
CNC1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020156277	0	34	-1.0	-50.85	313.52	2.62	-48.23
CNC1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020156277	1	34	-1.0	-50.87	313.46	2.60	-48.27
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)N1C1CCOCC1	REAL300020156278	0	51	-1.0	-45.31	397.82	6.75	-38.56
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)N1C1CCOCC1	REAL300020156278	1	51	-1.0	-45.29	397.76	6.73	-38.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300020156279	0	39	-1.0	-46.30	353.67	6.62	-39.68
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300020156279	1	39	-1.0	-46.30	353.61	6.60	-39.70
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(NCC(F)(F)F)=N1	REAL300020156280	0	43	-1.0	-40.95	381.16	5.28	-35.67
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(NCC(F)(F)F)=N1	REAL300020156280	1	43	-1.0	-40.94	381.22	5.31	-35.63
CC1=CC([N+](=O)[O-])=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020156281	0	37	-1.0	-53.45	335.97	5.12	-48.33
CC1=CC([N+](=O)[O-])=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020156281	1	37	-1.0	-53.46	335.91	5.10	-48.36
CC1(C)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC(C)(C)C1	REAL300020156282	0	51	-1.0	-39.34	384.94	7.67	-31.67
CC1(C)CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC(C)(C)C1	REAL300020156282	1	51	-1.0	-39.37	384.89	7.64	-31.73
O=C(CN1C=C(C2CC2)C=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156283	0	40	-1.0	-47.39	344.77	5.81	-41.58
O=C(CN1C=C(C2CC2)C=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156283	1	40	-1.0	-47.33	344.71	5.79	-41.54
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC2=C1COCC2	REAL300020156284	0	41	-1.0	-55.82	336.73	5.68	-50.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC2=C1COCC2	REAL300020156284	1	41	-1.0	-55.84	336.67	5.66	-50.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC2(CC2(F)F)C1	REAL300020156285	0	37	-1.0	-40.70	325.49	6.08	-34.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC2(CC2(F)F)C1	REAL300020156285	1	37	-1.0	-40.71	325.43	6.05	-34.66
CC1=CC(F)=CC(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156286	0	39	-1.0	-39.68	337.73	6.56	-33.12
CC1=CC(F)=CC(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156286	1	39	-1.0	-39.63	337.67	6.54	-33.09
CN1N=CC(C2CCC2)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156287	0	43	-1.0	-51.20	362.30	5.84	-45.36
CN1N=CC(C2CCC2)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156287	1	43	-1.0	-51.18	362.24	5.82	-45.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(N2C=NN=N2)CC1	REAL300020156288	0	35	-1.0	-41.47	314.32	3.77	-37.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(N2C=NN=N2)CC1	REAL300020156288	1	35	-1.0	-41.45	314.26	3.74	-37.71
C[C@@H](C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N(C)C(=O)OC(C)(C)C	REAL300020156289	0	49	-1.0	-47.05	392.99	5.58	-41.47
C[C@@H](C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N(C)C(=O)OC(C)(C)C	REAL300020156289	1	49	-1.0	-47.00	393.05	5.60	-41.40
COC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)O1	REAL300020156290	0	39	-1.0	-48.35	346.61	5.12	-43.23
COC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)O1	REAL300020156290	1	39	-1.0	-48.36	346.55	5.10	-43.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(CO)C1=CC=CC=C1	REAL300020156291	0	40	-1.0	-42.26	338.18	3.89	-38.37
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(CO)C1=CC=CC=C1	REAL300020156291	1	40	-1.0	-42.26	338.12	3.87	-38.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCN1C1CCCC1	REAL300020156292	0	45	-1.0	-42.09	357.47	4.02	-38.07
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC[N@@H+]1C1CCCC1	REAL300020156292	1	46	0.0	-62.85	361.34	6.95	-55.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC[N@H+]1C1CCCC1	REAL300020156292	1	46	0.0	-67.01	359.43	6.75	-60.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCN1C1CCCC1	REAL300020156292	1	45	-1.0	-42.09	357.52	4.04	-38.05
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=C(Br)C=N1	REAL300020156293	0	32	-1.0	-46.90	322.20	4.89	-42.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=C(Br)C=N1	REAL300020156293	1	32	-1.0	-46.87	322.15	4.86	-42.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2N=C(CO)NC2=CC=C1	REAL300020156294	0	40	-1.0	-51.06	346.28	1.94	-49.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2N=C(CO)NC2=CC=C1	REAL300020156294	1	40	-1.0	-51.02	346.22	1.92	-49.10
CCC1=CNC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020156295	0	39	-1.0	-48.78	335.18	4.30	-44.48
CCC1=CNC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020156295	1	39	-1.0	-48.75	335.13	4.28	-44.47
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156296	0	41	-1.0	-45.41	351.13	6.59	-38.82
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156296	1	41	-1.0	-45.44	351.08	6.56	-38.88
CC(=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)CN1CCOCC1	REAL300020156297	0	46	-1.0	-41.00	370.99	2.98	-38.02
CC(=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)CN1CCOCC1	REAL300020156297	1	46	-1.0	-41.07	371.05	3.00	-38.07
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN=C(C2=CC=CO2)O1	REAL300020156298	0	35	-1.0	-52.47	325.17	-0.33	-52.80
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN=C(C2=CC=CO2)O1	REAL300020156298	1	35	-1.0	-52.45	325.11	-0.35	-52.80
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300020156299	0	36	-1.0	-63.22	327.54	5.20	-58.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC2=C1OC(F)(F)O2	REAL300020156299	1	36	-1.0	-63.25	327.48	5.18	-58.07
CN(C)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(C(F)(F)F)=C1	REAL300020156300	0	44	-1.0	-40.90	379.85	6.99	-33.91
CN(C)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(C(F)(F)F)=C1	REAL300020156300	1	44	-1.0	-40.88	379.80	6.96	-33.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(SC(F)(F)F)=C1	REAL300020156301	0	37	-1.0	-39.94	344.98	7.02	-32.92
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(SC(F)(F)F)=C1	REAL300020156301	1	37	-1.0	-39.95	344.92	6.99	-32.96
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN2C=CC=NC2=N1	REAL300020156302	0	34	-1.0	-53.10	309.54	5.71	-47.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN2C=CC=NC2=N1	REAL300020156302	1	34	-1.0	-53.10	309.49	5.69	-47.41
CC(=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CO1	REAL300020156303	0	37	-1.0	-41.26	322.81	5.64	-35.62
CC(=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CO1	REAL300020156303	1	37	-1.0	-41.21	322.75	5.62	-35.59
COC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156304	0	40	-1.0	-43.21	350.12	5.75	-37.46
COC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156304	1	40	-1.0	-43.23	350.06	5.72	-37.51
CC1=NNC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020156305	0	39	-1.0	-42.71	337.08	4.85	-37.86
CC1=NNC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020156305	1	39	-1.0	-42.72	337.02	4.83	-37.89
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(F)C=CC2=CC=NC=C21	REAL300020156306	0	38	-1.0	-50.79	338.58	5.86	-44.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(F)C=CC2=CC=NC=C21	REAL300020156306	1	38	-1.0	-50.80	338.52	5.83	-44.97
NC(=O)N=NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020156307	0	39	-1.0	-56.91	349.74	0.74	-56.17
NC(=O)N=NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020156307	1	39	-1.0	-56.85	349.69	0.71	-56.14
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCNC1=O	REAL300020156308	0	37	-1.0	-44.23	312.51	1.33	-42.90
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCNC1=O	REAL300020156308	1	37	-1.0	-44.22	312.45	1.31	-42.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CNC(=S)N1C1CC1	REAL300020156309	0	38	-1.0	-47.29	332.75	5.77	-41.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNC(=S)N1C1CC1	REAL300020156309	1	38	-1.0	-47.31	332.70	5.75	-41.56
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156310	0	43	-1.0	-53.26	375.51	5.03	-48.23
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156310	1	43	-1.0	-53.24	375.56	5.06	-48.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=COC(C2=CC=CN=C2)=N1	REAL300020156311	0	38	-1.0	-49.91	343.79	2.24	-47.67
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=COC(C2=CC=CN=C2)=N1	REAL300020156311	1	38	-1.0	-49.95	343.73	2.21	-47.74
CC1=CC=NC=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156312	0	38	-1.0	-43.72	325.29	4.94	-38.78
CC1=CC=NC=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156312	1	38	-1.0	-43.70	325.23	4.91	-38.79
COCCCN1N=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC1=O	REAL300020156313	0	45	-1.0	-49.85	388.08	3.40	-46.45
COCCCN1N=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC1=O	REAL300020156313	1	45	-1.0	-49.82	388.02	3.37	-46.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2C=CSC2=NC=N1	REAL300020156314	0	34	-1.0	-47.93	314.33	4.88	-43.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2C=CSC2=NC=N1	REAL300020156314	1	34	-1.0	-47.91	314.27	4.86	-43.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL300020156315	0	50	-1.0	-45.50	378.37	6.69	-38.81
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL300020156315	1	50	-1.0	-45.51	378.43	6.72	-38.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NN1C(F)F	REAL300020156316	0	33	-1.0	-45.35	300.01	3.48	-41.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NN1C(F)F	REAL300020156316	1	33	-1.0	-45.34	299.95	3.46	-41.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C2=NOC=C2)OC=N1	REAL300020156317	0	35	-1.0	-59.45	318.04	1.74	-57.71
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C2=NOC=C2)OC=N1	REAL300020156317	1	35	-1.0	-59.44	317.98	1.72	-57.72
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020156318	0	47	-1.0	-43.23	393.09	7.06	-36.17
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020156318	1	47	-1.0	-43.23	393.04	7.03	-36.20
CC(C)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156319	0	42	-1.0	-40.44	342.95	7.22	-33.22
CC(C)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156319	1	42	-1.0	-40.41	342.89	7.19	-33.22
CC1=NN(C(C)CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020156320	0	42	-1.0	-43.03	352.11	5.25	-37.78
CC1=NN(C(C)CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020156320	1	42	-1.0	-43.00	352.05	5.23	-37.77
O=C(CCCC1=CC=CN=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156321	0	41	-1.0	-44.67	350.96	6.04	-38.63
O=C(CCCC1=CC=CN=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156321	1	41	-1.0	-44.70	350.90	6.02	-38.68
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(CF)C=C1	REAL300020156322	0	36	-1.0	-42.22	316.61	6.37	-35.85
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(CF)C=C1	REAL300020156322	1	36	-1.0	-42.19	316.56	6.34	-35.85
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C(F)(F)F	REAL300020156323	0	40	-1.0	-40.83	355.50	5.94	-34.89
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C(F)(F)F	REAL300020156323	1	40	-1.0	-40.80	355.44	5.92	-34.88
COC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCOC1	REAL300020156324	0	41	-1.0	-57.77	332.21	3.31	-54.46
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CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020156352	1	53	-1.0	-55.65	423.02	6.33	-49.32
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CC(C)N(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)OC(C)(C)C	REAL300020156356	1	52	-1.0	-46.70	411.78	6.90	-39.80
CC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1OC(C)C	REAL300020156357	0	48	-1.0	-44.23	396.74	8.09	-36.14
CC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1OC(C)C	REAL300020156357	1	48	-1.0	-44.29	396.68	8.07	-36.22
C[NH+](C)CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020156358	0	42	0.0	-55.98	339.36	5.72	-50.26
C[NH+](C)CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020156358	1	42	0.0	-55.94	339.30	5.69	-50.25
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CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020156359	1	52	0.0	-78.96	413.10	6.77	-72.19
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020156359	1	52	0.0	-79.69	405.45	6.31	-73.38
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CCNC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020156363	0	37	-1.0	-52.60	334.75	3.57	-49.03
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COC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC1	REAL300020156365	1	43	-1.0	-41.35	348.64	5.97	-35.38
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COC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCCC1	REAL300020156368	1	46	-1.0	-41.31	365.82	6.51	-34.80
CC(CC1=CC=CO1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156369	0	39	-1.0	-40.98	331.49	5.65	-35.33
CC(CC1=CC=CO1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156369	1	39	-1.0	-41.00	331.44	5.63	-35.37
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CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)N1C1=CN(C)N=C1	REAL300020156374	1	47	-1.0	-48.34	395.60	7.12	-41.22
CC1=NC(C2=CC=CS2)=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020156375	0	42	-1.0	-51.04	384.65	6.59	-44.45
CC1=NC(C2=CC=CS2)=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020156375	1	42	-1.0	-51.06	384.60	6.56	-44.50
COCC1=CSC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020156376	0	37	-1.0	-53.48	336.05	4.29	-49.19
COCC1=CSC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020156376	1	37	-1.0	-53.45	335.99	4.26	-49.19
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156377	0	40	-1.0	-43.24	323.16	5.48	-37.76
CC[C@@H]1CCO[C@@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156377	1	40	-1.0	-43.22	323.10	5.46	-37.76
CC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCO1	REAL300020156378	0	43	-1.0	-45.89	342.96	4.90	-40.99
CC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCO1	REAL300020156378	1	43	-1.0	-45.91	342.90	4.88	-41.03
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(NC2=NCCC2)C=C1	REAL300020156379	1	45	-1.0	-45.20	374.89	6.20	-39.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300020156380	0	47	-1.0	-52.96	399.69	6.32	-46.64
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300020156380	1	47	-1.0	-52.97	399.63	6.30	-46.67
NC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(Br)=N1	REAL300020156381	0	34	-1.0	-40.27	320.43	3.05	-37.22
NC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(Br)=N1	REAL300020156381	1	34	-1.0	-40.28	320.37	3.02	-37.26
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NOC2=C1COCC2	REAL300020156382	1	37	-1.0	-42.44	320.35	3.15	-39.29
CC1=CN2C=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC2=N1	REAL300020156383	0	39	-1.0	-61.77	337.14	6.71	-55.06
CC1=CN2C=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=N1	REAL300020156383	1	39	-1.0	-61.72	337.08	6.69	-55.03
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(C2CC2)N=N1	REAL300020156384	0	36	-1.0	-48.77	319.49	3.41	-45.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(C2CC2)N=N1	REAL300020156384	1	36	-1.0	-48.78	319.43	3.38	-45.40
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156385	0	41	-1.0	-56.99	353.15	3.99	-53.00
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156385	1	41	-1.0	-57.01	353.09	3.96	-53.05
CNC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020156386	0	38	-1.0	-41.74	328.87	4.46	-37.28
CNC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020156386	1	38	-1.0	-41.78	328.82	4.43	-37.35
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2C(C1)C2(F)F	REAL300020156387	0	40	-1.0	-40.87	331.31	6.52	-34.35
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2C(C1)C2(F)F	REAL300020156387	1	40	-1.0	-40.83	331.25	6.49	-34.34
CC(F)(F)C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020156388	0	36	-1.0	-40.39	313.37	5.46	-34.93
CC(F)(F)C1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020156388	1	36	-1.0	-40.40	313.32	5.43	-34.97
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020156389	0	44	-1.0	-50.28	368.87	2.20	-48.08
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020156389	1	44	-1.0	-50.26	368.93	2.23	-48.03
COC1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC(F)F	REAL300020156390	0	44	-1.0	-52.71	381.70	5.70	-47.01
COC1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC(F)F	REAL300020156390	1	44	-1.0	-52.70	381.76	5.72	-46.98
CC1=CC=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Br	REAL300020156391	0	39	-1.0	-42.35	349.60	7.29	-35.06
CC1=CC=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Br	REAL300020156391	1	39	-1.0	-42.33	349.66	7.32	-35.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300020156392	0	48	-1.0	-57.84	394.31	5.05	-52.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300020156392	1	48	-1.0	-57.88	394.36	5.07	-52.81
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300020156393	0	42	-1.0	-63.98	366.24	5.97	-58.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300020156393	1	42	-1.0	-63.99	366.18	5.95	-58.04
COC1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CO1	REAL300020156394	0	33	-1.0	-48.25	300.55	-0.82	-49.07
COC1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CO1	REAL300020156394	1	33	-1.0	-48.19	300.49	-0.85	-49.04
CC1=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NC=C1Cl	REAL300020156395	0	38	-1.0	-45.14	342.49	5.70	-39.44
CC1=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NC=C1Cl	REAL300020156395	1	38	-1.0	-45.13	342.43	5.68	-39.45
NC1=C(Cl)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020156396	0	35	-1.0	-50.46	332.27	4.61	-45.85
NC1=C(Cl)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020156396	1	35	-1.0	-50.49	332.21	4.59	-45.90
CCC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC(F)(F)CC1	REAL300020156397	0	45	-1.0	-40.33	354.50	6.72	-33.61
CCC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC(F)(F)CC1	REAL300020156397	1	45	-1.0	-40.37	354.56	6.75	-33.62
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156398	0	36	-1.0	-50.09	323.10	4.54	-45.55
CN1N=CC(C(F)(F)F)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156398	1	36	-1.0	-50.08	323.04	4.51	-45.57
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300020156399	0	45	-1.0	-44.67	361.25	6.74	-37.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300020156399	1	45	-1.0	-44.63	361.19	6.72	-37.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C(F)(F)F)CCOCC1	REAL300020156400	0	40	-1.0	-39.07	331.73	4.19	-34.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C(F)(F)F)CCOCC1	REAL300020156400	1	40	-1.0	-39.09	331.79	4.22	-34.87
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300020156401	0	36	-1.0	-40.89	340.19	7.07	-33.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300020156401	1	36	-1.0	-40.92	340.14	7.05	-33.87
CSCC[C@H](NC(N)=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156402	0	42	-1.0	-51.62	363.60	1.87	-49.75
CSCC[C@H](NC(N)=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156402	1	42	-1.0	-51.58	363.54	1.85	-49.73
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300020156403	0	46	-1.0	-41.54	380.65	8.82	-32.72
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300020156403	1	46	-1.0	-41.53	380.60	8.80	-32.73
CC1=CCC(C)(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020156404	0	43	-1.0	-42.88	342.56	6.67	-36.21
CC1=CCC(C)(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020156404	1	43	-1.0	-42.91	342.51	6.65	-36.26
CCN1C(=O)NC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020156405	0	43	-1.0	-45.31	368.35	5.37	-39.94
CCN1C(=O)NC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020156405	1	43	-1.0	-45.35	368.29	5.35	-40.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300020156406	0	44	-1.0	-44.81	373.38	6.03	-38.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300020156406	1	44	-1.0	-44.80	373.32	6.00	-38.80
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156407	0	43	-1.0	-49.65	354.59	5.09	-44.56
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156407	1	43	-1.0	-49.71	354.53	5.06	-44.65
CC1(C)CCCC(O)(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020156408	0	46	-1.0	-40.19	353.49	4.21	-35.98
CC1(C)CCCC(O)(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020156408	1	46	-1.0	-40.20	353.43	4.19	-36.01
COC(=O)N1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020156409	0	44	-1.0	-45.68	362.00	4.46	-41.22
COC(=O)N1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020156409	1	44	-1.0	-45.64	361.95	4.43	-41.21
O=C(CCC1=CC=CN=C1Cl)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156410	0	38	-1.0	-43.65	342.34	5.57	-38.08
O=C(CCC1=CC=CN=C1Cl)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156410	1	38	-1.0	-43.65	342.29	5.54	-38.11
CN1C(=O)CO[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)[C@H]1C1=CC=CN=C1	REAL300020156411	0	47	-1.0	-47.55	385.80	4.70	-42.85
CN1C(=O)CO[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)[C@H]1C1=CC=CN=C1	REAL300020156411	1	47	-1.0	-47.56	385.74	4.68	-42.88
COC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(=O)OC(C)(C)C	REAL300020156412	0	48	-1.0	-42.61	386.71	6.24	-36.37
COC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)OC(C)(C)C	REAL300020156412	1	48	-1.0	-42.58	386.76	6.26	-36.32
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1(C)C	REAL300020156413	0	51	-1.0	-40.43	399.21	8.02	-32.41
CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1(C)C	REAL300020156413	1	51	-1.0	-40.40	399.27	8.04	-32.36
CC(C)(C)OC(=O)C(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC1	REAL300020156414	0	54	-1.0	-44.12	422.10	9.12	-35.00
CC(C)(C)OC(=O)C(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC1	REAL300020156414	1	54	-1.0	-44.12	422.16	9.14	-34.98
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020156415	0	40	-1.0	-58.45	368.97	2.54	-55.91
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020156415	1	40	-1.0	-58.46	369.03	2.56	-55.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300020156416	0	43	-1.0	-52.66	374.05	7.25	-45.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300020156416	1	43	-1.0	-52.65	373.99	7.23	-45.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Br)=CNC1=O	REAL300020156417	0	33	-1.0	-56.44	312.16	3.40	-53.04
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Br)=CNC1=O	REAL300020156417	1	33	-1.0	-56.42	312.11	3.37	-53.05
COCC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCCC1	REAL300020156418	0	46	-1.0	-40.96	356.17	5.82	-35.14
COCC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCCC1	REAL300020156418	1	46	-1.0	-40.99	356.11	5.80	-35.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C2CCCCCN12	REAL300020156419	0	43	-1.0	-45.63	342.89	6.12	-39.51
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C2CCCCCN12	REAL300020156419	1	43	-1.0	-45.64	342.83	6.10	-39.54
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300020156420	0	42	-1.0	-52.86	366.15	8.22	-44.64
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300020156420	1	42	-1.0	-52.85	366.09	8.19	-44.66
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020156421	0	39	-1.0	-62.44	353.67	1.86	-60.58
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020156421	1	39	-1.0	-62.39	353.61	1.84	-60.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CSC=C2S1	REAL300020156422	0	33	-1.0	-51.66	318.77	5.93	-45.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CSC=C2S1	REAL300020156422	1	33	-1.0	-51.66	318.71	5.90	-45.76
CC1=CC=CC=C1CC(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156423	0	45	-1.0	-50.64	365.83	7.98	-42.66
CC1=CC=CC=C1CC(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156423	1	45	-1.0	-50.65	365.78	7.95	-42.70
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC(C(F)F)=C1	REAL300020156424	0	36	-1.0	-49.28	325.33	5.34	-43.94
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CCCN1N=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156518	1	39	-1.0	-41.98	331.21	4.89	-37.09
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CC1CC2CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C[N@H+]2C1	REAL300020157542	1	49	0.0	-64.04	376.51	7.30	-56.74
CC1CC2CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C[N@@H+]2C1	REAL300020157542	1	49	0.0	-54.81	370.59	7.49	-47.32
CC1CC2CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C[N@H+]2C1	REAL300020157542	1	49	0.0	-63.96	376.45	7.27	-56.69
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC=NC=C2)CC2(CCC2)C1	REAL300020157548	1	49	-1.0	-41.84	397.97	7.86	-33.98
CCOC(=O)NC1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157549	0	44	-1.0	-59.39	382.02	4.80	-54.59
CCOC(=O)NC1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157549	1	44	-1.0	-59.40	381.96	4.77	-54.63
CN1C=C(N2CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCC2=O)C=N1	REAL300020157550	0	47	-1.0	-56.03	386.33	4.87	-51.16
CN1C=C(N2CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCC2=O)C=N1	REAL300020157550	1	47	-1.0	-56.03	386.28	4.84	-51.19
COC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020157551	0	41	-1.0	-61.56	368.00	4.30	-57.26
COC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020157551	1	41	-1.0	-61.56	367.95	4.28	-57.28
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020157552	0	40	-1.0	-43.93	358.47	5.10	-38.83
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020157552	1	40	-1.0	-43.91	358.41	5.08	-38.83
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COC(=O)NC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020157554	0	41	-1.0	-45.86	360.12	3.86	-42.00
COC(=O)NC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020157554	1	41	-1.0	-45.86	360.07	3.83	-42.03
COC(=O)C1CCCN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1=O	REAL300020157555	0	46	-1.0	-48.63	386.10	5.79	-42.84
COC(=O)C1CCCN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1=O	REAL300020157555	1	46	-1.0	-48.64	386.16	5.81	-42.83
CC1=C(Br)OC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157556	0	33	-1.0	-46.75	315.33	4.94	-41.81
CC1=C(Br)OC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157556	1	33	-1.0	-46.72	315.27	4.91	-41.81
COC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CN=C1F	REAL300020157557	0	36	-1.0	-56.34	319.49	4.22	-52.12
COC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CN=C1F	REAL300020157557	1	36	-1.0	-56.32	319.44	4.20	-52.12
COC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020157558	0	44	-1.0	-46.30	371.37	4.48	-41.82
COC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020157558	1	44	-1.0	-46.31	371.31	4.46	-41.85
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CC1=CC(Cl)=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157561	1	35	-1.0	-48.24	324.13	4.91	-43.33
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CNC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020157562	1	42	-1.0	-63.40	359.72	3.04	-60.36
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CC(C)(C)CC(C)(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157568	0	47	-1.0	-39.82	348.65	6.38	-33.44
CC(C)(C)CC(C)(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157568	1	47	-1.0	-39.84	348.59	6.35	-33.49
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CCSC1=CNC(=O)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157672	0	40	-1.0	-58.58	352.43	4.61	-53.97
CCSC1=CNC(=O)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157672	1	40	-1.0	-58.61	352.37	4.59	-54.02
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CCOC1=CC=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020157677	0	42	-1.0	-50.20	360.45	4.16	-46.04
CCOC1=CC=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020157677	1	42	-1.0	-50.17	360.40	4.14	-46.03
CC1=CN=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020157678	0	38	-1.0	-51.77	324.56	5.04	-46.73
CC1=CN=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020157678	1	38	-1.0	-51.74	324.50	5.01	-46.73
C[NH+]1CCC(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020157679	0	46	0.0	-68.31	368.70	5.96	-62.35
C[NH+]1CCC(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020157679	1	46	0.0	-68.35	368.76	5.99	-62.36
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CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Br)=NN1	REAL300020157681	1	33	-1.0	-42.44	315.26	2.96	-39.48
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CC1=CC(C(F)(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN=C1Cl	REAL300020157683	1	38	-1.0	-39.17	353.55	5.55	-33.62
CC1=NC2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CNC2=N1	REAL300020157684	0	38	-1.0	-81.96	330.84	4.44	-77.52
CC1=NC2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CNC2=N1	REAL300020157684	1	38	-1.0	-81.96	330.78	4.41	-77.55
CC(C)C1CCC2=C(C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C(=O)N2)C1	REAL300020157685	0	52	-1.0	-56.31	409.89	6.93	-49.38
CC(C)C1CCC2=C(C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C(=O)N2)C1	REAL300020157685	1	52	-1.0	-56.33	409.83	6.90	-49.43
CC1=NN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=NC=CC=C12	REAL300020157686	0	41	-1.0	-57.36	358.80	5.62	-51.74
CC1=NN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=NC=CC=C12	REAL300020157686	1	41	-1.0	-57.39	358.74	5.60	-51.79
CCCOC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1C	REAL300020157687	0	49	-1.0	-51.49	405.13	8.81	-42.68
CCCOC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1C	REAL300020157687	1	49	-1.0	-51.51	405.08	8.79	-42.72
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C[C@H](NC(=O)CN1C=NN=N1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157689	1	41	-1.0	-57.84	360.29	2.10	-55.74
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020157690	0	48	-1.0	-48.04	392.14	7.97	-40.07
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020157690	1	48	-1.0	-48.06	392.08	7.95	-40.11
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COC1=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1	REAL300020157692	0	44	-1.0	-45.46	372.24	4.85	-40.61
COC1=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1	REAL300020157692	1	44	-1.0	-45.47	372.18	4.82	-40.65
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2=CNN=C21	REAL300020157694	1	37	-1.0	-43.81	314.79	3.69	-40.12
O=C(CCCCCCCCC1CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157695	0	54	-1.0	-46.92	435.29	10.25	-36.67
O=C(CCCCCCCCC1CC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157695	1	54	-1.0	-46.91	435.34	10.27	-36.64
O=C(CC1CCCOCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157696	0	43	-1.0	-46.85	338.02	4.78	-42.07
O=C(CC1CCCOCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157696	1	43	-1.0	-46.91	337.96	4.75	-42.16
C=CCN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020157697	0	37	-1.0	-43.13	327.97	4.73	-38.40
C=CCN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020157697	1	37	-1.0	-43.10	327.91	4.71	-38.39
CC12CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)(CC1)CO2	REAL300020157698	0	44	-1.0	-39.83	345.99	4.97	-34.86
CC12CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)(CC1)CO2	REAL300020157698	1	44	-1.0	-39.82	345.93	4.95	-34.87
CC1CCC(C)(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020157699	0	45	-1.0	-40.34	347.63	6.78	-33.56
CC1CCC(C)(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020157699	1	45	-1.0	-40.37	347.58	6.76	-33.61
CC(C)C1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SN=N1	REAL300020157700	0	37	-1.0	-38.47	329.97	4.09	-34.38
CC(C)C1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SN=N1	REAL300020157700	1	37	-1.0	-38.42	329.92	4.06	-34.36
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020157701	0	39	-2.0	-86.36	351.20	5.11	-81.25
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020157701	1	39	-2.0	-86.33	351.14	5.08	-81.25
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020157702	0	33	-2.0	-119.61	316.25	5.57	-114.04
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020157702	1	33	-2.0	-119.55	316.19	5.55	-114.00
CC(C)CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)COC1	REAL300020157703	0	43	-1.0	-42.74	340.93	4.49	-38.25
CC(C)CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)COC1	REAL300020157703	1	43	-1.0	-42.73	340.88	4.47	-38.26
CN1N=CC2=C1C=C(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C(=O)N2	REAL300020157704	0	39	-1.0	-52.09	340.76	2.57	-49.52
CN1N=CC2=C1C=C(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C(=O)N2	REAL300020157704	1	39	-1.0	-52.10	340.71	2.55	-49.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC2=CNN=C21	REAL300020157705	0	40	-1.0	-50.10	331.72	4.48	-45.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC2=CNN=C21	REAL300020157705	1	40	-1.0	-50.09	331.66	4.46	-45.63
COC1=C2C=CSC2=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020157706	0	40	-1.0	-57.52	352.24	6.25	-51.27
COC1=C2C=CSC2=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020157706	1	40	-1.0	-57.52	352.18	6.23	-51.29
CC1(C2=CC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)CC1	REAL300020157707	0	43	-1.0	-41.49	355.08	8.03	-33.46
CC1(C2=CC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)CC1	REAL300020157707	1	43	-1.0	-41.48	355.03	8.01	-33.47
CC1CCN(C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)C1	REAL300020157708	0	48	-1.0	-53.15	383.26	6.55	-46.60
CC1CCN(C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)C1	REAL300020157708	1	48	-1.0	-53.16	383.20	6.52	-46.64
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=CC(F)=C1	REAL300020157709	0	39	-1.0	-41.41	342.24	6.91	-34.50
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=CC(F)=C1	REAL300020157709	1	39	-1.0	-41.39	342.19	6.88	-34.51
CC1=NOC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157710	0	38	-1.0	-42.87	331.56	5.21	-37.66
CC1=NOC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157710	1	38	-1.0	-42.83	331.50	5.18	-37.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL300020157711	0	40	-1.0	-58.65	352.99	3.44	-55.21
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL300020157711	1	40	-1.0	-58.58	352.93	3.41	-55.17
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC=C(Cl)C=C2S1	REAL300020157712	0	36	-1.0	-40.07	344.45	7.47	-32.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=C(Cl)C=C2S1	REAL300020157712	1	36	-1.0	-40.06	344.39	7.45	-32.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NOC(C2CCC2)=C1	REAL300020157713	0	39	-1.0	-48.07	337.46	5.74	-42.33
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NOC(C2CCC2)=C1	REAL300020157713	1	39	-1.0	-48.06	337.41	5.72	-42.34
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NOC=C1C1=CC=CC=C1	REAL300020157714	0	39	-1.0	-46.25	344.96	6.57	-39.68
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NOC=C1C1=CC=CC=C1	REAL300020157714	1	39	-1.0	-46.26	344.90	6.55	-39.71
O=C(COCC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157715	0	43	-1.0	-45.15	386.38	7.52	-37.63
O=C(COCC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157715	1	43	-1.0	-45.15	386.44	7.55	-37.60
CC1(C)C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1(C)C	REAL300020157716	0	45	-1.0	-40.62	356.14	6.88	-33.74
CC1(C)C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1(C)C	REAL300020157716	1	45	-1.0	-40.62	356.08	6.86	-33.76
CC1(C)CC2(CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2)C1	REAL300020157717	0	46	-1.0	-39.81	366.33	7.42	-32.39
CC1(C)CC2(CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2)C1	REAL300020157717	1	46	-1.0	-39.83	366.28	7.39	-32.44
NC1=CC=C(F)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157718	0	35	-1.0	-47.03	305.24	3.83	-43.20
NC1=CC=C(F)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157718	1	35	-1.0	-47.01	305.18	3.81	-43.20
COC1=CC=CC(N2C=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)=C1	REAL300020157719	0	44	-1.0	-55.39	379.53	6.03	-49.36
COC1=CC=CC(N2C=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)=C1	REAL300020157719	1	44	-1.0	-55.41	379.47	6.00	-49.41
COC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=CC(F)=C1	REAL300020157720	0	40	-1.0	-43.27	358.06	6.42	-36.85
COC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=CC(F)=C1	REAL300020157720	1	40	-1.0	-43.27	358.01	6.40	-36.87
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CC1(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCC1	REAL300020157790	0	43	-1.0	-42.81	346.82	5.94	-36.87
CC1(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCC1	REAL300020157790	1	43	-1.0	-42.77	346.77	5.91	-36.86
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CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1F	REAL300020157795	0	35	-1.0	-48.59	312.60	4.41	-44.18
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1F	REAL300020157795	1	35	-1.0	-48.58	312.54	4.39	-44.19
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CC1(C)COCC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020157799	0	44	-1.0	-44.25	355.68	4.45	-39.80
CC1(C)COCC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020157799	1	44	-1.0	-44.26	355.62	4.43	-39.83
CC1(C)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCO1	REAL300020157800	0	43	-1.0	-52.69	340.52	4.55	-48.14
CC1(C)CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCO1	REAL300020157800	1	43	-1.0	-52.69	340.47	4.52	-48.17
CN1C=C(C2=NOC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2)C=N1	REAL300020157801	0	41	-1.0	-51.26	361.02	4.66	-46.60
CN1C=C(C2=NOC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2)C=N1	REAL300020157801	1	41	-1.0	-51.25	360.96	4.63	-46.62
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CN1N=CC=C1C(F)(F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157804	0	36	-1.0	-46.06	323.33	3.86	-42.20
CN1N=CC=C1C(F)(F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157804	1	36	-1.0	-46.09	323.27	3.84	-42.25
COC1=CC=C(C(F)(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020157805	0	39	-1.0	-39.81	349.92	3.02	-36.79
COC1=CC=C(C(F)(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020157805	1	39	-1.0	-39.78	349.86	2.99	-36.79
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CC(C)(C)C1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020157807	0	44	-1.0	-50.69	365.07	6.43	-44.26
CC(C)(C)C1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020157807	1	44	-1.0	-50.67	365.02	6.41	-44.26
COC1=CC=CC=C1C1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020157808	0	43	-1.0	-55.84	382.65	6.20	-49.64
COC1=CC=CC=C1C1=NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020157808	1	43	-1.0	-55.80	382.59	6.18	-49.62
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CC(C)(C)N1N=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157811	0	42	-1.0	-41.80	339.62	5.20	-36.60
CC(C)(C)N1N=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157811	1	42	-1.0	-41.82	339.56	5.18	-36.64
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CC1=NC2=C(CCCC2CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020157813	0	45	-1.0	-47.19	367.22	5.04	-42.15
CC1=NC2=C(CCCC2CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020157813	1	45	-1.0	-47.21	367.28	5.07	-42.14
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CCCCCC1=CC=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157815	0	51	-1.0	-41.64	420.62	10.01	-31.63
CCCCCC1=CC=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157815	1	51	-1.0	-41.62	420.56	9.98	-31.64
COC1CCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157816	0	40	-1.0	-44.92	327.99	4.28	-40.64
COC1CCCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157816	1	40	-1.0	-44.94	327.93	4.25	-40.69
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COC(=O)[C@H]1C[C@@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020157818	0	39	-1.0	-60.95	334.74	5.19	-55.76
COC(=O)[C@H]1C[C@@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020157818	1	39	-1.0	-60.95	334.68	5.16	-55.79
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157819	0	48	-1.0	-48.97	398.60	7.41	-41.56
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CCC1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020157822	1	35	-1.0	-50.57	319.22	4.00	-46.57
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CC1=C2NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC2=CC=C1[N+](=O)[O-]	REAL300020157824	0	42	-1.0	-50.63	368.41	6.79	-43.84
CC1=C2NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=CC=C1[N+](=O)[O-]	REAL300020157824	1	42	-1.0	-50.64	368.35	6.76	-43.88
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CCN1C=C([C@@H]2OCC[C@H]2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020157848	1	47	-1.0	-49.26	391.42	5.04	-44.22
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CC1=C([C@@H]2OCC[C@H]2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C	REAL300020157852	1	47	-1.0	-42.77	385.62	4.57	-38.20
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157853	0	53	-1.0	-43.17	418.83	6.50	-36.67
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157853	1	53	-1.0	-43.16	418.89	6.52	-36.64
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157854	0	47	-1.0	-48.08	374.79	5.03	-43.05
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157854	1	47	-1.0	-48.04	374.73	5.00	-43.04
CN1N=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C1=CC=C(F)C=C1	REAL300020157855	0	43	-1.0	-44.16	373.46	6.65	-37.51
CN1N=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C1=CC=C(F)C=C1	REAL300020157855	1	43	-1.0	-44.18	373.40	6.62	-37.56
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COC1=CC=C(N2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=N2)C=C1	REAL300020157858	0	43	-1.0	-48.75	375.38	4.56	-44.19
COC1=CC=C(N2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=N2)C=C1	REAL300020157858	1	43	-1.0	-48.74	375.32	4.54	-44.20
CC(C)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C(C)C)O1	REAL300020157859	0	48	-1.0	-50.52	395.94	7.99	-42.53
CC(C)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C(C)C)O1	REAL300020157859	1	48	-1.0	-50.55	395.88	7.97	-42.58
COC1=CC=C(C=C(C#N)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020157860	0	46	-1.0	-48.04	396.49	6.05	-41.99
COC1=CC=C(C=C(C#N)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020157860	1	46	-1.0	-48.03	396.43	6.02	-42.01
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2CC2)O1	REAL300020157862	1	37	-1.0	-49.97	326.19	5.96	-44.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL300020157863	0	40	-1.0	-45.21	353.84	4.99	-40.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL300020157863	1	40	-1.0	-45.20	353.78	4.96	-40.24
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)O2)N1	REAL300020157864	0	40	-1.0	-49.01	360.91	4.24	-44.77
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)O2)N1	REAL300020157864	1	40	-1.0	-49.02	360.86	4.22	-44.80
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)O2)[N-]1	REAL300020157864	1	39	-2.0	-83.45	357.49	3.82	-79.63
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)O2)[N-]1	REAL300020157864	1	39	-2.0	-83.45	357.43	3.80	-79.65
COC1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020157865	0	43	-1.0	-43.42	359.49	6.02	-37.40
COC1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020157865	1	43	-1.0	-43.45	359.43	6.00	-37.45
CN1N=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(F)F	REAL300020157866	0	36	-1.0	-50.62	326.35	4.08	-46.54
CN1N=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(F)F	REAL300020157866	1	36	-1.0	-50.62	326.29	4.05	-46.57
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CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C2N(C)C1=O	REAL300020157894	1	45	-1.0	-44.82	378.56	6.75	-38.07
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CC1=CC=CC(C(=O)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157907	1	38	-1.0	-45.67	330.72	6.05	-39.62
CCCCS(=O)(=O)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157908	0	41	-1.0	-55.00	359.21	2.71	-52.29
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CCOC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C2C=C1	REAL300020157917	0	46	-1.0	-59.68	388.47	7.86	-51.82
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CC1=NSC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157961	0	32	-1.0	-48.98	297.54	3.78	-45.20
CC1=NSC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157961	1	32	-1.0	-48.94	297.49	3.76	-45.18
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CC1=C(CC(F)(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C2N1	REAL300020158017	1	46	-1.0	-50.40	396.68	7.72	-42.68
CC1=CSC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158018	0	36	-1.0	-41.83	325.10	6.02	-35.81
CC1=CSC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158018	1	36	-1.0	-41.85	325.04	5.99	-35.86
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)C=CC=C1OCC1CC1	REAL300020158019	0	44	-1.0	-46.04	390.56	7.71	-38.33
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)C=CC=C1OCC1CC1	REAL300020158019	1	44	-1.0	-46.05	390.50	7.69	-38.36
CC(=O)N[C@@H](C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)(C)C	REAL300020158020	0	45	-1.0	-40.72	358.54	3.94	-36.78
CC(=O)N[C@@H](C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)(C)C	REAL300020158020	1	45	-1.0	-40.68	358.48	3.92	-36.76
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2CCCCC2)=NO1	REAL300020158021	0	48	-1.0	-49.65	395.63	7.60	-42.05
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2CCCCC2)=NO1	REAL300020158021	1	48	-1.0	-49.62	395.57	7.58	-42.04
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2CCCC2)=NO1	REAL300020158022	0	45	-1.0	-49.60	377.23	6.95	-42.65
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2CCCC2)=NO1	REAL300020158022	1	45	-1.0	-49.60	377.17	6.93	-42.67
CC(C)COC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158023	0	46	-1.0	-54.95	396.12	8.92	-46.03
CC(C)COC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158023	1	46	-1.0	-54.91	396.06	8.90	-46.01
CN1C=C(C2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCCO2)C=N1	REAL300020158024	0	44	-1.0	-44.55	366.61	4.10	-40.45
CN1C=C(C2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCCO2)C=N1	REAL300020158024	1	44	-1.0	-44.56	366.55	4.07	-40.49
O=C(CC1=CC=C2OC(=O)NC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158025	0	39	-1.0	-47.29	345.02	3.74	-43.55
O=C(CC1=CC=C2OC(=O)NC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158025	1	39	-1.0	-47.28	344.97	3.72	-43.56
O=C(C#CC1CCCOC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158026	0	39	-1.0	-50.91	335.16	4.81	-46.10
O=C(C#CC1CCCOC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158026	1	39	-1.0	-50.86	335.10	4.79	-46.07
C[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020158027	0	42	0.0	-58.07	327.08	5.82	-52.25
C[N@H+]1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020158027	1	42	0.0	-62.89	332.91	5.59	-57.30
C[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020158027	1	42	0.0	-58.05	327.02	5.79	-52.26
C[N@H+]1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020158027	1	42	0.0	-62.88	332.85	5.56	-57.32
C=CCCCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020158028	0	46	-1.0	-41.17	387.33	9.11	-32.06
C=CCCCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020158028	1	46	-1.0	-41.17	387.27	9.09	-32.08
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(C(=O)N2CCCCC2)=C1	REAL300020158029	0	50	-1.0	-50.30	403.16	7.46	-42.84
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C(=O)N2CCCCC2)=C1	REAL300020158029	1	50	-1.0	-50.25	403.10	7.44	-42.81
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2(CC2(F)F)CC1	REAL300020158030	0	43	-1.0	-44.38	350.85	7.06	-37.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2(CC2(F)F)CC1	REAL300020158030	1	43	-1.0	-44.40	350.91	7.09	-37.31
O=C(CN1CCCC2(CC2)S1(=O)=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158031	0	45	-1.0	-54.57	379.80	3.29	-51.28
O=C(CN1CCCC2(CC2)S1(=O)=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158031	1	45	-1.0	-54.62	379.86	3.31	-51.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC2(CC2(F)F)C1	REAL300020158032	0	37	-1.0	-40.70	325.49	6.08	-34.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC2(CC2(F)F)C1	REAL300020158032	1	37	-1.0	-40.71	325.43	6.05	-34.66
CCOC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N[N-]1	REAL300020158033	0	38	-2.0	-95.81	346.88	3.33	-92.48
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158033	1	38	-2.0	-95.72	346.91	3.32	-92.40
CCOC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N[N-]1	REAL300020158033	1	38	-2.0	-95.81	346.82	3.30	-92.51
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158033	1	38	-2.0	-95.73	346.86	3.30	-92.43
O=C(CSC1=CC=CC=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158034	0	36	-1.0	-49.28	329.85	5.13	-44.15
O=C(CSC1=CC=CC=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158034	1	36	-1.0	-49.28	329.79	5.11	-44.17
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN2N=CN=C2C=C1	REAL300020158035	0	35	-1.0	-43.62	310.47	5.99	-37.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN2N=CN=C2C=C1	REAL300020158035	1	35	-1.0	-43.58	310.41	5.97	-37.61
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC(C=O)=C1	REAL300020158036	0	36	-1.0	-53.48	318.17	3.65	-49.83
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC(C=O)=C1	REAL300020158036	1	36	-1.0	-53.46	318.12	3.62	-49.84
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020158037	0	49	0.0	-64.34	393.85	8.44	-55.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020158037	1	49	0.0	-65.77	393.77	8.44	-57.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020158037	1	49	0.0	-64.38	393.91	8.47	-55.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020158037	1	49	0.0	-65.75	393.83	8.47	-57.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCS1(=O)=O	REAL300020158038	0	33	-1.0	-51.23	297.78	1.50	-49.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCS1(=O)=O	REAL300020158038	1	33	-1.0	-51.22	297.73	1.47	-49.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2(O)COC2)C=C1	REAL300020158039	0	42	-1.0	-55.58	354.44	2.61	-52.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2(O)COC2)C=C1	REAL300020158039	1	42	-1.0	-55.57	354.39	2.59	-52.98
CN1N=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1Cl	REAL300020158040	0	33	-1.0	-51.67	325.28	4.24	-47.43
CN1N=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1Cl	REAL300020158040	1	33	-1.0	-51.66	325.22	4.21	-47.45
O=C(CC(C(F)F)N1CCOCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158041	0	45	-1.0	-46.01	362.94	2.45	-43.56
O=C(CC(C(F)F)N1CCOCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158041	1	45	-1.0	-45.99	363.00	2.47	-43.52
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C(C2=CC=CN=C2)N1	REAL300020158042	0	42	-1.0	-46.52	363.89	4.80	-41.72
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C(C2=CC=CN=C2)N1	REAL300020158042	1	42	-1.0	-46.52	363.83	4.77	-41.75
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC(C2=CC=CN=C2)=N1	REAL300020158042	1	42	-1.0	-52.69	363.41	4.84	-47.85
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC(C2=CC=CN=C2)=N1	REAL300020158042	1	42	-1.0	-52.67	363.35	4.81	-47.86
CC1=CC(C)=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=N1	REAL300020158043	0	41	-1.0	-43.92	363.75	6.27	-37.65
CC1=CC(C)=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=N1	REAL300020158043	1	41	-1.0	-43.88	363.69	6.25	-37.63
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2NCCCN2N=C1	REAL300020158044	0	39	-1.0	-53.90	329.06	3.16	-50.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2NCCCN2N=C1	REAL300020158044	1	39	-1.0	-53.89	329.01	3.14	-50.75
NC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CN=C1C(F)(F)F	REAL300020158045	0	37	-1.0	-50.46	329.86	3.25	-47.21
NC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CN=C1C(F)(F)F	REAL300020158045	1	37	-1.0	-50.42	329.81	3.23	-47.19
CC1=NSC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1N	REAL300020158046	0	34	-1.0	-47.86	306.52	1.93	-45.93
CC1=NSC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1N	REAL300020158046	1	34	-1.0	-47.85	306.46	1.90	-45.95
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158047	0	53	-1.0	-47.19	419.27	6.92	-40.27
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158047	1	53	-1.0	-47.21	419.33	6.95	-40.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1C1CC1	REAL300020158048	0	40	-1.0	-41.41	331.95	7.62	-33.79
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1C1CC1	REAL300020158048	1	40	-1.0	-41.43	331.89	7.59	-33.84
CCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C2N=C1	REAL300020158049	0	44	-1.0	-42.45	371.12	7.23	-35.22
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C2N=C1	REAL300020158049	1	44	-1.0	-42.45	371.06	7.20	-35.25
COC1(C(F)(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCCC1	REAL300020158050	0	46	-1.0	-47.88	362.52	6.54	-41.34
COC1(C(F)(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCCC1	REAL300020158050	1	46	-1.0	-47.88	362.58	6.57	-41.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2CCCO2)CCCO1	REAL300020158051	0	45	-1.0	-39.57	356.81	4.51	-35.06
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2CCCO2)CCCO1	REAL300020158051	1	45	-1.0	-39.57	356.76	4.48	-35.09
O=C(C=CC1=NC=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158052	0	33	-1.0	-49.96	310.76	4.10	-45.86
O=C(C=CC1=NC=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158052	1	33	-1.0	-49.98	310.70	4.07	-45.91
O=C(C=CC1=CC=C(F)C=C1F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158053	0	37	-1.0	-55.76	335.04	6.85	-48.91
O=C(C=CC1=CC=C(F)C=C1F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158053	1	37	-1.0	-55.74	334.99	6.83	-48.91
COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020158054	0	40	-1.0	-41.68	338.06	5.60	-36.08
COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020158054	1	40	-1.0	-41.71	338.01	5.58	-36.13
COC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CS1	REAL300020158055	0	34	-1.0	-57.40	309.79	4.90	-52.50
COC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CS1	REAL300020158055	1	34	-1.0	-57.43	309.73	4.87	-52.56
CN(C)S(=O)(=O)N1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020158056	0	49	-1.0	-45.27	403.64	2.56	-42.71
CN(C)S(=O)(=O)N1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020158056	1	49	-1.0	-45.28	403.70	2.59	-42.69
O=C(CCC1=CN=CC(Br)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158057	0	38	-1.0	-50.13	350.81	5.86	-44.27
O=C(CCC1=CN=CC(Br)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158057	1	38	-1.0	-50.14	350.75	5.84	-44.30
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1C(F)(F)C12CCC2	REAL300020158058	0	37	-1.0	-49.02	322.00	6.11	-42.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1C(F)(F)C12CCC2	REAL300020158058	1	37	-1.0	-49.03	321.94	6.09	-42.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=CC(OC(F)F)=C1	REAL300020158059	0	37	-1.0	-41.74	334.25	5.20	-36.54
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=CC(OC(F)F)=C1	REAL300020158059	1	37	-1.0	-41.71	334.20	5.18	-36.53
CCCCCCCCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020158060	0	57	-1.0	-40.70	460.45	11.65	-29.05
CCCCCCCCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020158060	1	57	-1.0	-40.71	460.51	11.67	-29.04
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1C2CC1(C1=CC=CN=C1)CC2	REAL300020158061	0	46	-1.0	-44.03	369.29	7.18	-36.85
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1C2CC1(C1=CC=CN=C1)CC2	REAL300020158061	1	46	-1.0	-43.98	369.24	7.16	-36.82
COCC1(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCC1	REAL300020158062	0	46	-1.0	-39.79	362.33	5.50	-34.29
COCC1(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCC1	REAL300020158062	1	46	-1.0	-39.79	362.27	5.48	-34.31
CC(C)(C)C1=CN=C(Cl)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158063	0	44	-1.0	-54.33	372.77	6.51	-47.82
CC(C)(C)C1=CN=C(Cl)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158063	1	44	-1.0	-54.30	372.72	6.48	-47.82
CC1(C)OC(=O)C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020158064	0	43	-1.0	-48.72	368.87	7.25	-41.47
CC1(C)OC(=O)C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020158064	1	43	-1.0	-48.70	368.81	7.23	-41.47
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COC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020158109	0	42	-1.0	-43.97	358.92	6.91	-37.06
COC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020158109	1	42	-1.0	-43.96	358.86	6.89	-37.07
COC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020158110	0	39	-1.0	-56.50	355.85	6.72	-49.78
COC(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020158110	1	39	-1.0	-56.51	355.79	6.70	-49.81
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCO1	REAL300020158111	0	43	-1.0	-43.59	340.94	5.37	-38.22
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CC(=O)N[C@H]1CC[C@@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020158113	0	46	-1.0	-44.61	370.11	4.52	-40.09
CC(=O)N[C@H]1CC[C@@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020158113	1	46	-1.0	-44.60	370.17	4.54	-40.06
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC2(C1)CC1(CCC1)C2	REAL300020158114	1	47	-1.0	-51.29	377.67	8.24	-43.05
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COC[C@@H](CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(=O)OC(C)(C)C	REAL300020158149	1	53	-1.0	-52.31	431.56	3.46	-48.85
CC1=CC(C2CC2)=NC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158150	0	42	-1.0	-42.72	349.18	6.52	-36.20
CC1=CC(C2CC2)=NC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158150	1	42	-1.0	-42.72	349.12	6.50	-36.22
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CC(C)(C)OC(=O)N1CCCC2C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C21	REAL300020158153	0	54	-1.0	-44.74	415.39	7.68	-37.06
CC(C)(C)OC(=O)N1CCCC2C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C21	REAL300020158153	1	54	-1.0	-44.73	415.44	7.71	-37.02
CC(C)(C)OC(=O)NC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC1	REAL300020158154	0	50	-1.0	-46.44	402.95	4.53	-41.91
CC(C)(C)OC(=O)NC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC1	REAL300020158154	1	50	-1.0	-46.40	403.00	4.56	-41.84
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CC1=CC=C(C(C)CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020158158	1	45	-1.0	-40.56	369.42	8.13	-32.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)CC1CC1	REAL300020158159	0	36	-1.0	-37.69	317.07	5.72	-31.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)CC1CC1	REAL300020158159	1	36	-1.0	-37.70	317.01	5.70	-32.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)C1=CN=CS1	REAL300020158160	0	32	-1.0	-39.76	309.38	3.64	-36.12
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O=C(C#CC12CC3CC(CC(C3)C1)C2)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158161	0	49	-1.0	-51.06	384.43	8.82	-42.24
O=C(C#CC12CC3CC(CC(C3)C1)C2)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158161	1	49	-1.0	-51.09	384.49	8.85	-42.24
CC1=C(C)C2=C(C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)O1	REAL300020158162	0	40	-1.0	-54.52	344.20	5.01	-49.51
CC1=C(C)C2=C(C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)O1	REAL300020158162	1	40	-1.0	-54.52	344.15	4.98	-49.54
CC1=C(Cl)C=C2NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC2=C1	REAL300020158163	0	40	-1.0	-50.01	357.70	6.59	-43.42
CC1=C(Cl)C=C2NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=C1	REAL300020158163	1	40	-1.0	-50.00	357.64	6.57	-43.43
COC1=CC=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N(C)C2=C1	REAL300020158164	0	44	-1.0	-44.83	366.57	6.57	-38.26
COC1=CC=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N(C)C2=C1	REAL300020158164	1	44	-1.0	-44.82	366.51	6.54	-38.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-]	REAL300020158165	0	37	-1.0	-69.00	346.80	6.37	-62.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-]	REAL300020158165	1	37	-1.0	-68.98	346.74	6.34	-62.64
COC1=NOC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158166	0	36	-1.0	-46.33	321.16	1.84	-44.49
COC1=NOC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158166	1	36	-1.0	-46.29	321.11	1.81	-44.48
COCC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)N1	REAL300020158167	0	39	-1.0	-57.08	340.43	1.84	-55.24
COCC1=NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)N1	REAL300020158167	1	39	-1.0	-57.08	340.37	1.81	-55.27
COCC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)[N-]1	REAL300020158167	1	38	-2.0	-94.81	337.20	0.74	-94.07
COCC1=NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)[N-]1	REAL300020158167	1	38	-2.0	-94.80	337.14	0.71	-94.09
NC(=O)CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC2=CC=CC=C21	REAL300020158168	0	44	-1.0	-54.67	377.75	2.97	-51.70
NC(=O)CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC2=CC=CC=C21	REAL300020158168	1	44	-1.0	-54.67	377.70	2.94	-51.73
CN1N=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(F)(F)F	REAL300020158169	0	36	-1.0	-49.90	329.98	4.12	-45.78
CN1N=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(F)(F)F	REAL300020158169	1	36	-1.0	-49.92	329.92	4.10	-45.82
CCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C(C)O1	REAL300020158170	0	39	-1.0	-40.94	333.69	5.95	-34.99
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C(C)O1	REAL300020158170	1	39	-1.0	-40.91	333.63	5.93	-34.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(C2CC2(F)F)N=C1	REAL300020158171	0	37	-1.0	-43.73	333.63	4.92	-38.81
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(C2CC2(F)F)N=C1	REAL300020158171	1	37	-1.0	-43.70	333.58	4.90	-38.80
CN1N=NC2=CC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C21	REAL300020158172	0	38	-1.0	-43.24	327.69	3.79	-39.45
CN1N=NC2=CC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C21	REAL300020158172	1	38	-1.0	-43.22	327.64	3.77	-39.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)N1	REAL300020158173	0	31	-1.0	-49.60	292.80	3.75	-45.85
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)N1	REAL300020158173	1	31	-1.0	-49.58	292.74	3.73	-45.85
O=C(COCCC1=CC=C(Cl)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158174	0	40	-1.0	-42.93	376.42	7.01	-35.92
O=C(COCCC1=CC=C(Cl)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158174	1	40	-1.0	-42.91	376.48	7.04	-35.87
CCC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)O1	REAL300020158175	0	39	-1.0	-50.29	333.69	5.95	-44.34
CCC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)O1	REAL300020158175	1	39	-1.0	-50.24	333.63	5.93	-44.31
CC1=CC=C(C)C(C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)C)=C1	REAL300020158176	0	51	-1.0	-41.21	405.20	9.36	-31.85
CC1=CC=C(C)C(C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)C)=C1	REAL300020158176	1	51	-1.0	-41.21	405.15	9.33	-31.88
CCC(F)(F)C(C)(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158177	0	41	-1.0	-45.22	334.64	5.80	-39.42
CCC(F)(F)C(C)(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158177	1	41	-1.0	-45.18	334.58	5.77	-39.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C(C2CCOC2)S1	REAL300020158178	0	40	-1.0	-51.60	352.89	3.53	-48.07
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C(C2CCOC2)S1	REAL300020158178	1	40	-1.0	-51.63	352.83	3.51	-48.12
CC1OCCC1(F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158179	0	37	-1.0	-39.12	308.90	3.27	-35.85
CC1OCCC1(F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158179	1	37	-1.0	-39.14	308.85	3.24	-35.90
CN1C=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020158180	0	40	-1.0	-48.84	346.01	5.35	-43.49
CN1C=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020158180	1	40	-1.0	-48.86	345.95	5.32	-43.54
COC1=CN(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC1=O	REAL300020158181	0	40	-1.0	-51.33	338.47	4.80	-46.53
COC1=CN(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC1=O	REAL300020158181	1	40	-1.0	-51.33	338.41	4.77	-46.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC2=C1NC=N2	REAL300020158182	0	40	-1.0	-42.19	328.60	5.77	-36.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC2=C1NC=N2	REAL300020158182	1	40	-1.0	-42.21	328.66	5.80	-36.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCN2N=CN=C2C1	REAL300020158183	0	39	-1.0	-51.99	329.31	5.55	-46.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCN2N=CN=C2C1	REAL300020158183	1	39	-1.0	-51.94	329.26	5.52	-46.42
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158184	0	43	-1.0	-47.62	381.60	6.41	-41.21
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158184	1	43	-1.0	-47.64	381.65	6.43	-41.21
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=COC2=C1C(=O)NCC2	REAL300020158185	0	38	-1.0	-74.74	328.59	3.51	-71.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=COC2=C1C(=O)NCC2	REAL300020158185	1	38	-1.0	-74.75	328.54	3.48	-71.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL300020158186	0	40	-1.0	-53.78	363.02	8.11	-45.67
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL300020158186	1	40	-1.0	-53.81	362.97	8.08	-45.73
CN1C=CC(C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NO2)=N1	REAL300020158187	0	39	-1.0	-44.87	351.94	4.37	-40.50
CN1C=CC(C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NO2)=N1	REAL300020158187	1	39	-1.0	-44.87	351.88	4.35	-40.52
O=C(COCCC1=CC=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158188	0	40	-1.0	-43.20	359.38	6.39	-36.81
O=C(COCCC1=CC=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158188	1	40	-1.0	-43.23	359.44	6.42	-36.81
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN2C=CC=C(Br)C2=N1	REAL300020158189	0	36	-1.0	-48.71	340.41	6.61	-42.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN2C=CC=C(Br)C2=N1	REAL300020158189	1	36	-1.0	-48.68	340.35	6.58	-42.10
COC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCOC1	REAL300020158190	0	44	-1.0	-49.33	353.74	4.01	-45.32
COC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCOC1	REAL300020158190	1	44	-1.0	-49.38	353.69	3.99	-45.39
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL300020158191	0	47	-1.0	-41.03	374.52	9.02	-32.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL300020158191	1	47	-1.0	-41.01	374.47	9.00	-32.01
CN1C=CC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020158192	0	40	-1.0	-44.97	342.24	7.32	-37.65
CN1C=CC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020158192	1	40	-1.0	-44.94	342.18	7.29	-37.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(F)C=C2OC=CC2=C1	REAL300020158193	0	36	-1.0	-58.18	320.49	5.98	-52.20
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(F)C=C2OC=CC2=C1	REAL300020158193	1	36	-1.0	-58.16	320.43	5.95	-52.21
CCN1N=CC(Br)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158194	0	36	-1.0	-51.80	324.52	5.22	-46.58
CCN1N=CC(Br)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158194	1	36	-1.0	-51.82	324.46	5.20	-46.62
CCN1C=C(Br)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020158195	0	36	-1.0	-54.21	334.76	4.84	-49.37
CCN1C=C(Br)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020158195	1	36	-1.0	-54.20	334.70	4.82	-49.38
CC(=O)N[C@H]1CC[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020158196	0	46	-1.0	-47.90	374.25	4.11	-43.79
CC(=O)N[C@H]1CC[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020158196	1	46	-1.0	-47.94	374.31	4.14	-43.80
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300020158197	0	40	-1.0	-43.30	362.46	7.00	-36.30
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300020158197	1	40	-1.0	-43.27	362.40	6.98	-36.29
CCC(C)(C)CCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158198	0	47	-1.0	-40.29	365.67	6.99	-33.30
CCC(C)(C)CCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158198	1	47	-1.0	-40.29	365.61	6.97	-33.32
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020158199	0	43	-1.0	-47.29	362.57	8.26	-39.03
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020158199	1	43	-1.0	-47.33	362.51	8.24	-39.09
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL300020158200	0	47	-1.0	-56.15	389.62	5.95	-50.20
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL300020158200	1	47	-1.0	-56.13	389.56	5.92	-50.21
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158201	0	46	-1.0	-46.29	397.48	7.89	-38.40
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158201	1	46	-1.0	-46.31	397.42	7.87	-38.44
CC1=C(C)C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2N=N1	REAL300020158202	0	43	-1.0	-44.00	360.09	5.90	-38.10
CC1=C(C)C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2N=N1	REAL300020158202	1	43	-1.0	-44.00	360.04	5.88	-38.12
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCNS1(=O)=O	REAL300020158203	0	38	-1.0	-49.09	329.99	-0.38	-49.47
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCNS1(=O)=O	REAL300020158203	1	38	-1.0	-49.09	329.93	-0.40	-49.49
CC1OC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C1C	REAL300020158204	0	44	-1.0	-53.25	362.02	6.66	-46.59
CC1OC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C1C	REAL300020158204	1	44	-1.0	-53.23	361.96	6.64	-46.59
CN1C=C(C(F)(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC1=O	REAL300020158205	0	39	-1.0	-46.01	344.50	5.13	-40.88
CN1C=C(C(F)(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC1=O	REAL300020158205	1	39	-1.0	-46.06	344.44	5.11	-40.95
COC1=CC=C2C(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CNC2=C1	REAL300020158206	0	44	-1.0	-46.15	374.57	5.58	-40.57
COC1=CC=C2C(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CNC2=C1	REAL300020158206	1	44	-1.0	-46.14	374.51	5.56	-40.58
CCCC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)O1	REAL300020158207	0	42	-1.0	-50.00	355.18	6.73	-43.27
CCCC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)O1	REAL300020158207	1	42	-1.0	-49.95	355.13	6.71	-43.24
CN1C=CC2=CC=NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C21	REAL300020158208	0	39	-1.0	-44.61	336.89	5.09	-39.52
CN1C=CC2=CC=NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C21	REAL300020158208	1	39	-1.0	-44.66	336.83	5.06	-39.60
CC(C)C1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=CC=C2)=NO1	REAL300020158209	0	48	-1.0	-51.19	410.21	8.60	-42.59
CC(C)C1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=CC=C2)=NO1	REAL300020158209	1	48	-1.0	-51.19	410.15	8.58	-42.61
CC1=CC=CC=C1C(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC1	REAL300020158210	0	52	-1.0	-49.59	404.08	10.08	-39.51
CC1=CC=CC=C1C(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC1	REAL300020158210	1	52	-1.0	-49.57	404.02	10.06	-39.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C2CCC2)OC=N1	REAL300020158211	0	39	-1.0	-44.15	333.06	3.09	-41.06
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C2CCC2)OC=N1	REAL300020158211	1	39	-1.0	-44.18	333.00	3.07	-41.11
O=C(CCC1=C2CCCCC2=NN1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158212	0	46	-1.0	-42.43	377.20	5.75	-36.68
O=C(CCC1=C2CCCCC2=NN1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158212	1	46	-1.0	-42.43	377.26	5.78	-36.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL300020158213	0	38	-1.0	-44.11	349.16	6.62	-37.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL300020158213	1	38	-1.0	-44.13	349.10	6.60	-37.53
O=C(C=CC1=CC=C(C(F)F)O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158214	0	37	-1.0	-50.58	340.80	6.07	-44.51
O=C(C=CC1=CC=C(C(F)F)O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158214	1	37	-1.0	-50.58	340.74	6.04	-44.54
O=C(CCC1=CC=C(Cl)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158215	0	38	-1.0	-42.66	346.34	5.68	-36.98
O=C(CCC1=CC=C(Cl)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158215	1	38	-1.0	-42.69	346.29	5.66	-37.03
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158216	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	REAL300020158216	1	44	-1.0	-40.73	360.05	6.04	-34.69
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CCOC1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020158269	0	42	-1.0	-46.29	358.11	4.82	-41.47
CCOC1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020158269	1	42	-1.0	-46.25	358.05	4.80	-41.45
COCC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCO1	REAL300020158270	0	41	-1.0	-43.36	340.34	2.85	-40.51
COCC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCO1	REAL300020158270	1	41	-1.0	-43.41	340.28	2.83	-40.58
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CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=NC=CC=C2C=C1	REAL300020158271	1	41	-1.0	-61.35	352.60	6.39	-54.96
CC1(C)C2CCC1(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)CC2	REAL300020158272	0	46	-1.0	-39.90	348.16	6.77	-33.13
CC1(C)C2CCC1(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)CC2	REAL300020158272	1	46	-1.0	-39.90	348.10	6.75	-33.15
CS(=O)(=O)C1CCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158273	0	42	-1.0	-50.23	357.15	2.60	-47.63
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COC1=CC=CC=C1C1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NO1	REAL300020158292	0	43	-1.0	-45.23	371.24	6.10	-39.13
COC1=CC=CC=C1C1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NO1	REAL300020158292	1	43	-1.0	-45.21	371.18	6.07	-39.14
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CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(CC2=CC=CC=C2)=NO1	REAL300020158294	0	45	-1.0	-41.04	392.73	8.21	-32.83
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(CC2=CC=CC=C2)=NO1	REAL300020158294	1	45	-1.0	-40.99	392.67	8.18	-32.81
COC1=CC(C)=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)NC2=C1	REAL300020158295	0	44	-1.0	-52.11	372.54	5.43	-46.68
COC1=CC(C)=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)NC2=C1	REAL300020158295	1	44	-1.0	-52.08	372.48	5.40	-46.68
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CN1N=CC2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=CN=C21	REAL300020158297	0	37	-1.0	-49.26	327.79	4.49	-44.77
CN1N=CC2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=CN=C21	REAL300020158297	1	37	-1.0	-49.24	327.74	4.46	-44.78
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2(F)COC2)C=C1	REAL300020158298	1	41	-1.0	-55.37	350.84	5.37	-50.00
CC1=C(Cl)C2=NC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2C=C1	REAL300020158299	0	41	-1.0	-52.92	359.43	7.13	-45.79
CC1=C(Cl)C2=NC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2C=C1	REAL300020158299	1	41	-1.0	-52.94	359.37	7.10	-45.84
O=C(CC1(CO)CCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158300	0	40	-1.0	-40.59	326.30	2.46	-38.13
O=C(CC1(CO)CCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158300	1	40	-1.0	-40.55	326.25	2.43	-38.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCOC2(CCOCC2)C1	REAL300020158301	0	48	-1.0	-41.55	371.46	4.11	-37.44
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCOC2(CCOCC2)C1	REAL300020158301	1	48	-1.0	-41.51	371.52	4.13	-37.38
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(SC=C2)S1	REAL300020158302	0	33	-1.0	-50.28	318.05	6.01	-44.27
CC1=CC=C(Cl)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158303	0	36	-1.0	-41.95	322.56	6.74	-35.21
CC1=CC=C(Cl)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158303	1	36	-1.0	-41.97	322.51	6.71	-35.26
COC1=NN2C(=NN=C2CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020158304	0	44	-1.0	-47.32	384.06	3.78	-43.54
COC1=NN2C(=NN=C2CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020158304	1	44	-1.0	-47.32	384.12	3.80	-43.52
CCC(CCOC)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158305	0	42	-1.0	-44.64	340.93	4.58	-40.06
CCC(CCOC)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158305	1	42	-1.0	-44.63	340.87	4.55	-40.08
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020158306	0	38	-2.0	-83.44	342.05	6.00	-77.44
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020158306	1	38	-2.0	-83.45	342.00	5.98	-77.47
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158307	0	55	-1.0	-41.46	433.70	5.33	-36.13
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158307	1	55	-1.0	-41.47	433.76	5.36	-36.11
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C2N1C	REAL300020158308	0	43	-1.0	-57.01	365.22	7.64	-49.37
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C2N1C	REAL300020158308	1	43	-1.0	-57.03	365.16	7.62	-49.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300020158309	0	33	-1.0	-35.91	323.86	3.23	-32.68
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300020158309	1	33	-1.0	-35.94	323.91	3.25	-32.69
CC1=NC(N)=NC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158310	0	36	-1.0	-43.01	309.78	3.61	-39.40
CC1=NC(N)=NC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158310	1	36	-1.0	-42.99	309.73	3.58	-39.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(F)C([O-])=C1F	REAL300020158311	0	33	-2.0	-115.29	306.62	3.61	-111.68
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(F)C([O-])=C1F	REAL300020158311	1	33	-2.0	-115.31	306.57	3.59	-111.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=COC2=CC=CC=C2O1	REAL300020158312	0	37	-1.0	-60.32	324.92	6.18	-54.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=COC2=CC=CC=C2O1	REAL300020158312	1	37	-1.0	-60.33	324.87	6.16	-54.17
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(=O)C2=CC=CC=C2O1	REAL300020158313	0	40	-1.0	-43.83	347.38	6.29	-37.54
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(=O)C2=CC=CC=C2O1	REAL300020158313	1	40	-1.0	-43.83	347.33	6.26	-37.57
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C(Br)S1	REAL300020158314	0	33	-1.0	-39.04	318.23	6.01	-33.03
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C(Br)S1	REAL300020158314	1	33	-1.0	-39.00	318.17	5.98	-33.02
COC1=CC(C)=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)OC2=C1	REAL300020158315	0	43	-1.0	-49.48	370.19	5.90	-43.58
COC1=CC(C)=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)OC2=C1	REAL300020158315	1	43	-1.0	-49.49	370.13	5.87	-43.62
CC1(C#CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCO1	REAL300020158316	0	39	-1.0	-51.30	336.97	4.70	-46.60
CC1(C#CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCO1	REAL300020158316	1	39	-1.0	-51.33	336.91	4.68	-46.65
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CC(=O)NCC1(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCCC1	REAL300020158456	0	52	-1.0	-48.18	396.84	5.29	-42.89
CC(=O)NCC1(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCCC1	REAL300020158456	1	52	-1.0	-48.17	396.90	5.31	-42.86
CC1(C)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC(C)(C)O1	REAL300020158457	0	49	-1.0	-39.73	380.20	6.05	-33.68
CC1(C)CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC(C)(C)O1	REAL300020158457	1	49	-1.0	-39.74	380.14	6.02	-33.72
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CS(C)(=O)=NC1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020158461	1	39	-1.0	-69.11	359.09	1.86	-67.25
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CC(C)CC(=O)N1CCCCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158463	0	52	-1.0	-49.63	403.07	7.68	-41.95
CC(C)CC(=O)N1CCCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158463	1	52	-1.0	-49.67	403.12	7.71	-41.96
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CS(=O)(=O)[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C(F)(F)F	REAL300020160605	1	35	-1.0	-47.89	319.03	0.47	-47.42
CC(C)(C)OC(=O)NC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020160606	0	46	-1.0	-41.73	379.39	2.95	-38.78
CC(C)(C)OC(=O)NC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020160606	1	46	-1.0	-41.69	379.45	2.96	-38.73
CC1(C)CC(N(CC2=CC=CC=C2)C(=O)CCC2=N[N-]N=N2)CO1	REAL300020160607	0	46	-1.0	-42.38	358.56	5.91	-36.47
CC1(C)CC(N(CC2=CC=CC=C2)C(=O)CCC2=NN=N[N-]2)CO1	REAL300020160607	1	46	-1.0	-42.38	358.62	5.92	-36.46
N#CC1=C(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=CS1	REAL300020160608	0	36	-1.0	-45.19	310.37	2.88	-42.31
N#CC1=C(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=CS1	REAL300020160608	1	36	-1.0	-45.21	310.43	2.89	-42.32
CC(C)(C)OC(=O)C1COCCN1C(=O)CCC1=N[N-]N=N1	REAL300020160609	0	42	-1.0	-42.73	327.93	3.89	-38.84
CC(C)(C)OC(=O)C1COCCN1C(=O)CCC1=NN=N[N-]1	REAL300020160609	1	42	-1.0	-42.76	327.98	3.91	-38.85
CN1C=C([C@@H]2[C@@H](CNC(=O)CCC3=NN=N[N-]3)CC(=O)N2C(C)(C)C)C=N1	REAL300020160610	0	52	-1.0	-48.52	413.37	3.95	-44.57
CN1C=C([C@@H]2[C@@H](CNC(=O)CCC3=N[N-]N=N3)CC(=O)N2C(C)(C)C)C=N1	REAL300020160610	1	52	-1.0	-48.52	413.31	3.93	-44.59
CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)CCC1=N[N-]N=N1	REAL300020160611	0	47	-1.0	-44.93	368.82	4.37	-40.56
CC(C)(C)OC(=O)NCC12CC(C1)CN2C(=O)CCC1=NN=N[N-]1	REAL300020160611	1	47	-1.0	-44.95	368.88	4.38	-40.57
CC1=CN=CC(N(CC2=NC=CN2)C(=O)CCC2=N[N-]N=N2)=C1	REAL300020160612	0	38	-1.0	-41.02	326.56	3.94	-37.08
CC1=CN=CC(N(CC2=NC=CN2)C(=O)CCC2=NN=N[N-]2)=C1	REAL300020160612	1	38	-1.0	-41.04	326.62	3.96	-37.08
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COC1=CC(Br)=CC=C1C1CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020160614	0	40	-1.0	-41.56	346.45	6.11	-35.45
COC1=CC(Br)=CC=C1C1CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020160614	1	40	-1.0	-41.57	346.51	6.13	-35.44
CC(C)(C)OC(=O)N1CCCCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020160615	0	52	-1.0	-48.19	384.05	4.87	-43.32
CC(C)(C)OC(=O)N1CCCCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020160615	1	52	-1.0	-48.17	384.11	4.89	-43.28
O=C(CCC1=N[N-]N=N1)NC1(CO)CCC2=CC(Br)=CC=C2C1	REAL300020160616	0	40	-1.0	-40.53	340.84	2.71	-37.82
O=C(CCC1=NN=N[N-]1)NC1(CO)CCC2=CC(Br)=CC=C2C1	REAL300020160616	1	40	-1.0	-40.51	340.89	2.72	-37.79
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CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)C12CCC2	REAL300020160618	0	50	-1.0	-42.39	381.45	4.17	-38.22
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)C12CCC2	REAL300020160618	1	50	-1.0	-42.39	381.50	4.18	-38.21
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COC1=CC(OC)=C2CCCN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020160620	0	41	-1.0	-43.79	326.08	3.96	-39.83
COC1=CC(OC)=C2CCCN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020160620	1	41	-1.0	-43.82	326.14	3.97	-39.85
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C[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)CCN1S(C)(=O)=O	REAL300020160622	0	37	-1.0	-45.53	299.83	-0.10	-45.63
C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)CCN1S(C)(=O)=O	REAL300020160622	1	37	-1.0	-45.53	299.89	-0.08	-45.61
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CC(C)NC1=CC(Br)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020160676	1	37	-1.0	-38.46	325.97	3.80	-34.66
CN1CCC2=C(NC(=O)CCC3=N[N-]N=N3)C=CC=C2C1=O	REAL300020160677	0	37	-1.0	-43.55	308.32	3.31	-40.24
CN1CCC2=C(NC(=O)CCC3=NN=N[N-]3)C=CC=C2C1=O	REAL300020160677	1	37	-1.0	-43.56	308.38	3.32	-40.24
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]21	REAL300020160678	0	37	-1.0	-49.14	313.32	-1.13	-50.27
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]21	REAL300020160678	1	37	-1.0	-49.16	313.38	-1.11	-50.27
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]12	REAL300020160679	0	37	-1.0	-46.89	312.76	-0.91	-47.80
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]12	REAL300020160679	1	37	-1.0	-46.87	312.81	-0.90	-47.77
C[NH+](C)CCNC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020160680	0	45	0.0	-68.66	367.59	2.97	-65.69
C[NH+](C)CCNC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020160680	1	45	0.0	-68.70	367.64	3.00	-65.70
CC(C)(C)OC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020160681	0	53	-1.0	-42.49	424.34	5.65	-36.84
CC(C)(C)OC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020160681	1	53	-1.0	-42.44	424.39	5.67	-36.77
COC(=O)C(CC1=CC=CC(OC)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020160682	0	42	-1.0	-46.09	360.72	3.97	-42.12
COC(=O)C(CC1=CC=CC(OC)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020160682	1	42	-1.0	-46.11	360.78	3.99	-42.12
CC(=O)N(C)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020160683	0	39	-1.0	-46.00	335.85	3.36	-42.64
CC(=O)N(C)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020160683	1	39	-1.0	-45.97	335.91	3.38	-42.59
C[Si](C)(C)C1=CC=C(CCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020160684	0	44	-1.0	-41.83	371.95	7.96	-33.87
C[Si](C)(C)C1=CC=C(CCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020160684	1	44	-1.0	-41.82	372.01	7.98	-33.84
CN1C2=CC=CC=C2CN(C(=O)CCC2=N[N-]N=N2)CC1=O	REAL300020160685	0	37	-1.0	-43.28	306.16	3.96	-39.32
CN1C2=CC=CC=C2CN(C(=O)CCC2=NN=N[N-]2)CC1=O	REAL300020160685	1	37	-1.0	-43.26	306.22	3.97	-39.29
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCC2=N[N-]N=N2)CCC[N@@H+]1C1CC1	REAL300020160686	0	52	0.0	-65.94	391.65	5.78	-60.16
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCC2=N[N-]N=N2)CCC[N@H+]1C1CC1	REAL300020160686	1	52	0.0	-63.61	393.04	6.42	-57.19
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCC2=NN=N[N-]2)CCC[N@@H+]1C1CC1	REAL300020160686	1	52	0.0	-65.94	391.71	5.79	-60.15
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCC2=NN=N[N-]2)CCC[N@H+]1C1CC1	REAL300020160686	1	52	0.0	-63.69	393.10	6.44	-57.25
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCC2=N[N-]N=N2)CCCN1C1CC1	REAL300020160686	1	51	-1.0	-42.21	391.68	4.32	-37.89
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCC2=NN=N[N-]2)CCCN1C1CC1	REAL300020160686	1	51	-1.0	-42.25	391.74	4.34	-37.91
CN1C=C(CC2CCCC2NC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020160687	0	42	-1.0	-43.65	342.79	3.75	-39.90
CN1C=C(CC2CCCC2NC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020160687	1	42	-1.0	-43.64	342.73	3.74	-39.90
CCS(=O)(=O)N(C)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020160688	0	40	-1.0	-46.03	342.39	1.60	-44.43
CCS(=O)(=O)N(C)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020160688	1	40	-1.0	-46.06	342.45	1.61	-44.45
C[C@@H]1CCCN(C(=O)CCC2=N[N-]N=N2)[C@@H]1CCCNC(=O)OC(C)(C)C	REAL300020160689	0	58	-1.0	-44.90	428.58	5.30	-39.60
C[C@@H]1CCCN(C(=O)CCC2=NN=N[N-]2)[C@@H]1CCCNC(=O)OC(C)(C)C	REAL300020160689	1	58	-1.0	-44.92	428.64	5.31	-39.61
C[C@@H]1CCN(C(=O)CCC2=N[N-]N=N2)[C@H](CNC(=O)OC(C)(C)C)C1	REAL300020160690	0	52	-1.0	-45.94	394.66	3.87	-42.07
C[C@@H]1CCN(C(=O)CCC2=NN=N[N-]2)[C@H](CNC(=O)OC(C)(C)C)C1	REAL300020160690	1	52	-1.0	-45.97	394.71	3.89	-42.08
O=C(CCC1=N[N-]N=N1)N[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300020160691	0	37	-1.0	-40.79	324.36	4.29	-36.50
O=C(CCC1=NN=N[N-]1)N[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300020160691	1	37	-1.0	-40.85	324.42	4.31	-36.54
CC1CN(C(=O)CCC2=N[N-]N=N2)CCC1C(=O)OC(C)(C)C	REAL300020160692	0	47	-1.0	-41.51	356.52	6.17	-35.34
CC1CN(C(=O)CCC2=NN=N[N-]2)CCC1C(=O)OC(C)(C)C	REAL300020160692	1	47	-1.0	-41.49	356.58	6.18	-35.31
N#CC1=CC=CC(C2(NC(=O)CCC3=N[N-]N=N3)CCOCC2)=C1	REAL300020160693	0	41	-1.0	-44.30	336.29	4.21	-40.09
N#CC1=CC=CC(C2(NC(=O)CCC3=NN=N[N-]3)CCOCC2)=C1	REAL300020160693	1	41	-1.0	-44.32	336.34	4.22	-40.10
O=C(CCC1=N[N-]N=N1)N1CCC(C2CCCN(C(=O)C(F)(F)F)C2)CC1	REAL300020160694	0	49	-1.0	-45.23	384.46	5.54	-39.69
O=C(CCC1=NN=N[N-]1)N1CCC(C2CCCN(C(=O)C(F)(F)F)C2)CC1	REAL300020160694	1	49	-1.0	-45.21	384.52	5.55	-39.66
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC(F)=C(Br)C=C1F	REAL300020160695	0	32	-1.0	-38.63	306.50	4.26	-34.37
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC(F)=C(Br)C=C1F	REAL300020160695	1	32	-1.0	-38.66	306.56	4.28	-34.38
CN1C2(CCC2)COCC1(CO)CNC(=O)CCC1=N[N-]N=N1	REAL300020160696	0	46	-1.0	-42.20	329.74	-2.68	-44.88
CN1C2(CCC2)COCC1(CO)CNC(=O)CCC1=NN=N[N-]1	REAL300020160696	1	46	-1.0	-42.18	329.80	-2.66	-44.84
CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020160697	0	40	-1.0	-49.33	333.20	-1.65	-50.98
CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020160697	1	40	-1.0	-49.29	333.26	-1.64	-50.93
CC[C@@H]1[C@@H](NC(=O)CCC2=N[N-]N=N2)CCN1C(=O)OC(C)(C)C	REAL300020160698	0	49	-1.0	-40.59	385.95	3.63	-36.96
CC[C@@H]1[C@@H](NC(=O)CCC2=NN=N[N-]2)CCN1C(=O)OC(C)(C)C	REAL300020160698	1	49	-1.0	-40.55	386.00	3.64	-36.91
CN1CC2=CC=CC=C2C(NC(=O)CCC2=N[N-]N=N2)C1=O	REAL300020160699	0	37	-1.0	-49.01	313.45	2.53	-46.48
CN1CC2=CC=CC=C2C(NC(=O)CCC2=NN=N[N-]2)C1=O	REAL300020160699	1	37	-1.0	-49.01	313.51	2.54	-46.47
CC(C)CCO[C@H]1CC[C@H](NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020160700	0	48	-1.0	-40.07	374.80	4.43	-35.64
CC(C)CCO[C@H]1CC[C@H](NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020160700	1	48	-1.0	-40.07	374.86	4.44	-35.63
CC1=CC(Br)=C(CNC(=O)CCC2=N[N-]N=N2)S1	REAL300020160701	0	29	-1.0	-38.81	289.15	3.13	-35.68
CC1=CC(Br)=C(CNC(=O)CCC2=NN=N[N-]2)S1	REAL300020160701	1	29	-1.0	-38.82	289.21	3.14	-35.68
O=C(CCC1=N[N-]N=N1)N1CCC2=C(C=CS2)C1C1=CC=C(Cl)C=C1	REAL300020160702	0	40	-1.0	-39.12	354.65	8.07	-31.05
O=C(CCC1=NN=N[N-]1)N1CCC2=C(C=CS2)C1C1=CC=C(Cl)C=C1	REAL300020160702	1	40	-1.0	-39.09	354.71	8.08	-31.01
CN1C=CN=C1C(NC(=O)CCC1=N[N-]N=N1)C1=NC=CN1C	REAL300020160703	0	39	-1.0	-49.38	333.52	2.78	-46.60
CN1C=CN=C1C(NC(=O)CCC1=NN=N[N-]1)C1=NC=CN1C	REAL300020160703	1	39	-1.0	-49.41	333.57	2.79	-46.62
COC(=O)C1=CN=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300020160704	0	41	-1.0	-44.44	357.56	4.34	-40.10
COC(=O)C1=CN=C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300020160704	1	41	-1.0	-44.40	357.62	4.35	-40.05
O=C(CCC1=NN=N[N-]1)NC1=C(C2=CC=CC=C2)N=C2CCCCN21	REAL300020160705	0	43	-1.0	-44.93	357.90	7.37	-37.56
O=C(CCC1=N[N-]N=N1)NC1=C(C2=CC=CC=C2)N=C2CCCCN21	REAL300020160705	1	43	-1.0	-44.96	357.85	7.36	-37.60
COC(=O)C1(NC(=O)CCC2=N[N-]N=N2)CCCC(C)(C)C1	REAL300020160706	0	44	-1.0	-43.77	332.98	4.72	-39.05
COC(=O)C1(NC(=O)CCC2=NN=N[N-]2)CCCC(C)(C)C1	REAL300020160706	1	44	-1.0	-43.78	333.03	4.73	-39.05
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020160707	0	40	-1.0	-43.49	337.88	4.99	-38.50
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020160707	1	40	-1.0	-43.45	337.82	4.98	-38.47
CC(C)(C)OC(=O)N1CC2(C1)CCC(CNC(=O)CCC1=N[N-]N=N1)O2	REAL300020160708	0	51	-1.0	-44.54	409.75	2.16	-42.38
CC(C)(C)OC(=O)N1CC2(C1)CCC(CNC(=O)CCC1=NN=N[N-]1)O2	REAL300020160708	1	51	-1.0	-44.51	409.81	2.18	-42.33
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(SC2=CC=CC=C2)=C1	REAL300020160709	0	37	-1.0	-39.61	332.10	6.69	-32.92
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(SC2=CC=CC=C2)=C1	REAL300020160709	1	37	-1.0	-39.58	332.16	6.70	-32.88
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=C1F)CC1CC1	REAL300020160710	0	39	-1.0	-45.11	325.12	7.27	-37.84
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=C1F)CC1CC1	REAL300020160710	1	39	-1.0	-45.06	325.18	7.28	-37.78
O=C(CCC1=N[N-]N=N1)NN1CC2=CC=C(Br)C=C2C1=O	REAL300020160711	0	31	-1.0	-50.18	301.53	3.15	-47.03
O=C(CCC1=NN=N[N-]1)NN1CC2=CC=C(Br)C=C2C1=O	REAL300020160711	1	31	-1.0	-50.20	301.59	3.17	-47.03
COC(=O)C1=CNC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C12	REAL300020160712	0	36	-1.0	-50.38	317.98	3.25	-47.13
COC(=O)C1=CNC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C12	REAL300020160712	1	36	-1.0	-50.42	318.04	3.26	-47.16
O=C(CCC1=N[N-]N=N1)NCCC1=CC=CC2=C1OC(F)(F)O2	REAL300020160713	0	35	-1.0	-44.93	318.69	2.56	-42.37
O=C(CCC1=NN=N[N-]1)NCCC1=CC=CC2=C1OC(F)(F)O2	REAL300020160713	1	35	-1.0	-44.90	318.75	2.57	-42.33
COC1=CC=C(NC2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)C=C1	REAL300020160714	0	42	-1.0	-43.81	352.38	4.22	-39.59
COC1=CC=C(NC2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)C=C1	REAL300020160714	1	42	-1.0	-43.82	352.44	4.23	-39.59
O=C(CCC1=N[N-]N=N1)NC1(CO)COC2=CC=CC=C2C1	REAL300020160715	0	38	-1.0	-41.10	311.60	0.13	-40.97
O=C(CCC1=NN=N[N-]1)NC1(CO)COC2=CC=CC=C2C1	REAL300020160715	1	38	-1.0	-41.10	311.66	0.15	-40.95
O=C(CCC1=N[N-]N=N1)N1CC2(CC2)C2=CC=C(Br)C=C21	REAL300020160716	0	34	-1.0	-41.85	305.28	6.45	-35.40
O=C(CCC1=NN=N[N-]1)N1CC2(CC2)C2=CC=C(Br)C=C21	REAL300020160716	1	34	-1.0	-41.81	305.34	6.47	-35.34
O=C(CCC1=N[N-]N=N1)NCC1(OCCO)CCC(F)(F)CC1	REAL300020160717	0	43	-1.0	-42.30	346.77	0.03	-42.27
O=C(CCC1=NN=N[N-]1)NCC1(OCCO)CCC(F)(F)CC1	REAL300020160717	1	43	-1.0	-42.32	346.83	0.04	-42.28
CN(CCOCCNC(=O)CCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020160718	0	49	-1.0	-48.03	397.26	2.49	-45.54
CN(CCOCCNC(=O)CCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020160718	1	49	-1.0	-47.97	397.32	2.50	-45.47
COC1=CC=C([C@H](C)NC(=O)CCC2=N[N-]N=N2)C(OC)=C1	REAL300020160719	0	40	-1.0	-42.30	331.86	2.26	-40.04
COC1=CC=C([C@H](C)NC(=O)CCC2=NN=N[N-]2)C(OC)=C1	REAL300020160719	1	40	-1.0	-42.31	331.91	2.26	-40.05
COC1=CC(CCNC(=O)CCC2=N[N-]N=N2)=CC(OC)=C1O	REAL300020160720	0	41	-1.0	-45.57	348.56	0.47	-45.10
COC1=CC(CCNC(=O)CCC2=NN=N[N-]2)=CC(OC)=C1O	REAL300020160720	1	41	-1.0	-45.54	348.62	0.49	-45.05
COC1=CC=C(CN2CCC2CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020160721	0	45	-1.0	-43.00	365.78	1.44	-41.56
COC1=CC=C(CN2CCC2CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020160721	1	45	-1.0	-42.99	365.84	1.46	-41.53
COC1=CC=C(C[N@@H+]2CCC2CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020160721	1	46	0.0	-63.81	365.57	4.70	-59.11
COC1=CC=C(C[N@H+]2CCC2CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020160721	1	46	0.0	-65.32	365.67	4.83	-60.49
COC1=CC=C(C(C)(C)NC(=O)CCC2=N[N-]N=N2)C=C1F	REAL300020160722	0	39	-1.0	-42.33	319.57	3.35	-38.98
COC1=CC=C(C(C)(C)NC(=O)CCC2=NN=N[N-]2)C=C1F	REAL300020160722	1	39	-1.0	-42.33	319.63	3.37	-38.96
O=C(CCC1=N[N-]N=N1)N1CCOC2=CC([N+](=O)[O-])=CC=C2C1	REAL300020160723	0	36	-1.0	-40.19	310.66	4.64	-35.55
O=C(CCC1=NN=N[N-]1)N1CCOC2=CC([N+](=O)[O-])=CC=C2C1	REAL300020160723	1	36	-1.0	-40.19	310.72	4.66	-35.53
CCC1=NOC(CC2(O)CCCN(C(=O)CCC3=N[N-]N=N3)C2)=N1	REAL300020160724	0	44	-1.0	-46.48	355.49	0.28	-46.20
CCC1=NOC(CC2(O)CCCN(C(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300020160724	1	44	-1.0	-46.43	355.55	0.30	-46.13
COC(=O)[C@H](CC1=C(Br)C=CS1)NC(=O)CCC1=N[N-]N=N1	REAL300020160725	0	35	-1.0	-43.19	336.12	4.43	-38.76
COC(=O)[C@H](CC1=C(Br)C=CS1)NC(=O)CCC1=NN=N[N-]1	REAL300020160725	1	35	-1.0	-43.20	336.18	4.44	-38.76
C[C@H]1[C@H](C2=CC=CC(Cl)=C2)OCCN1C(=O)CCC1=N[N-]N=N1	REAL300020160726	0	40	-1.0	-38.92	334.94	5.19	-33.73
C[C@H]1[C@H](C2=CC=CC(Cl)=C2)OCCN1C(=O)CCC1=NN=N[N-]1	REAL300020160726	1	40	-1.0	-38.94	335.00	5.21	-33.73
COC(=O)C(C)(C)N1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020160727	0	38	-1.0	-43.64	326.18	3.28	-40.36
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COC(=O)C1=CC=C(C#CC2=CC=CC=C2NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020160728	1	44	-1.0	-43.14	392.95	8.51	-34.63
CCOC(=O)CCCCCCCCCCCNC(=O)CCC1=N[N-]N=N1	REAL300020160729	0	58	-1.0	-43.25	468.48	8.42	-34.83
CCOC(=O)CCCCCCCCCCCNC(=O)CCC1=NN=N[N-]1	REAL300020160729	1	58	-1.0	-43.25	468.54	8.43	-34.82
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COC(=O)C1(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCOC1	REAL300020160737	1	45	-1.0	-40.56	347.70	1.06	-39.50
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CC(CO)(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020160739	0	39	-1.0	-41.75	333.33	1.76	-39.99
CC(CO)(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020160739	1	39	-1.0	-41.78	333.39	1.77	-40.01
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O=C(CCC1=NN=N[N-]1)N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020160740	1	44	-1.0	-40.06	341.14	6.24	-33.82
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NS(=O)(=O)C1=CC2=C(CCN(C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300020160742	1	35	-1.0	-46.63	320.96	-0.87	-47.50
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)CC[C@H]1F	REAL300020160743	0	46	-1.0	-47.20	367.24	2.77	-44.43
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)CC[C@H]1F	REAL300020160743	1	46	-1.0	-47.12	367.30	2.78	-44.34
CC(C)(C)OC(=O)CC(CNC(=O)CCC1=N[N-]N=N1)C1CC1	REAL300020160744	0	47	-1.0	-40.52	367.71	5.82	-34.70
CC(C)(C)OC(=O)CC(CNC(=O)CCC1=NN=N[N-]1)C1CC1	REAL300020160744	1	47	-1.0	-40.57	367.77	5.84	-34.73
CC1(C2=NN=C(C3CCOCC3)O2)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020160745	0	45	-1.0	-47.46	373.40	-0.75	-48.21
CC1(C2=NN=C(C3CCOCC3)O2)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020160745	1	45	-1.0	-47.45	373.46	-0.74	-48.19
CN(OCC(F)(F)F)C(=O)CNC(=O)CCC1=N[N-]N=N1	REAL300020160746	0	33	-1.0	-41.72	308.28	0.56	-41.16
CN(OCC(F)(F)F)C(=O)CNC(=O)CCC1=NN=N[N-]1	REAL300020160746	1	33	-1.0	-41.75	308.34	0.58	-41.17
CC1(C)CC2=CC=CC(CCNC(=O)CCC3=N[N-]N=N3)=C2O1	REAL300020160747	0	43	-1.0	-43.05	356.46	4.68	-38.37
CC1(C)CC2=CC=CC(CCNC(=O)CCC3=NN=N[N-]3)=C2O1	REAL300020160747	1	43	-1.0	-43.06	356.52	4.70	-38.36
CON(C(=O)CCC1=N[N-]N=N1)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300020160748	0	39	-1.0	-39.37	336.77	6.06	-33.31
CON(C(=O)CCC1=NN=N[N-]1)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300020160748	1	39	-1.0	-39.40	336.83	6.07	-33.33
CC(C)C1=NC=C2C(=N1)CC1CCC2N1C(=O)CCC1=N[N-]N=N1	REAL300020160749	0	44	-1.0	-42.15	352.83	5.24	-36.91
CC(C)C1=NC=C2C(=N1)CC1CCC2N1C(=O)CCC1=NN=N[N-]1	REAL300020160749	1	44	-1.0	-42.18	352.89	5.25	-36.93
CC(C)(C)C1=NC=C2C(=N1)CC1CCC2N1C(=O)CCC1=N[N-]N=N1	REAL300020160750	0	47	-1.0	-42.16	371.40	6.03	-36.13
CC(C)(C)C1=NC=C2C(=N1)CC1CCC2N1C(=O)CCC1=NN=N[N-]1	REAL300020160750	1	47	-1.0	-42.11	371.46	6.04	-36.07
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020160751	0	51	0.0	-64.19	384.54	8.69	-55.50
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020160751	1	51	0.0	-63.65	375.57	7.81	-55.84
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020160751	1	51	0.0	-64.18	384.60	8.71	-55.47
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020160751	1	51	0.0	-63.62	375.63	7.82	-55.80
CC(C)[C@H]1CN(CC2=CC=CC=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020160751	1	50	-1.0	-38.35	372.77	5.32	-33.03
CC(C)[C@H]1CN(CC2=CC=CC=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020160751	1	50	-1.0	-38.39	372.83	5.33	-33.06
O=C(CCC1=N[N-]N=N1)NC1=CC=C2OC3(CCC3)CCC2=C1	REAL300020160752	0	41	-1.0	-42.30	333.17	5.13	-37.17
O=C(CCC1=NN=N[N-]1)NC1=CC=C2OC3(CCC3)CCC2=C1	REAL300020160752	1	41	-1.0	-42.28	333.23	5.15	-37.13
CNC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(OC)=C1	REAL300020160753	0	37	-1.0	-43.09	316.61	0.27	-42.82
CNC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(OC)=C1	REAL300020160753	1	37	-1.0	-43.09	316.66	0.29	-42.80
CC(C)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020160754	0	52	-1.0	-39.11	382.98	5.02	-34.09
CC(C)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020160754	1	52	-1.0	-39.12	383.03	5.04	-34.08
CC(C)(C)OC(=O)C1C2=CC=CC=C2CCN1C(=O)CCC1=N[N-]N=N1	REAL300020160755	0	48	-1.0	-42.75	380.07	8.01	-34.74
CC(C)(C)OC(=O)C1C2=CC=CC=C2CCN1C(=O)CCC1=NN=N[N-]1	REAL300020160755	1	48	-1.0	-42.79	380.13	8.02	-34.77
O=C(CCC1=N[N-]N=N1)NC1CCC2=CC=CC=C2N2C=CN=C12	REAL300020160756	0	40	-1.0	-47.60	332.83	5.23	-42.37
O=C(CCC1=NN=N[N-]1)NC1CCC2=CC=CC=C2N2C=CN=C12	REAL300020160756	1	40	-1.0	-47.65	332.89	5.24	-42.41
O=C(CCC1=N[N-]N=N1)N1CCCCC2=CC=C([N+](=O)[O-])C=C21	REAL300020160757	0	38	-1.0	-45.63	319.09	6.85	-38.78
O=C(CCC1=NN=N[N-]1)N1CCCCC2=CC=C([N+](=O)[O-])C=C21	REAL300020160757	1	38	-1.0	-45.65	319.15	6.86	-38.79
CN1C=CN=C1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020160758	0	39	-1.0	-43.28	355.57	5.35	-37.93
CN1C=CN=C1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020160758	1	39	-1.0	-43.28	355.62	5.36	-37.92
COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CCC1=N[N-]N=N1	REAL300020160759	0	41	-1.0	-53.71	348.82	0.52	-53.19
COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CCC1=NN=N[N-]1	REAL300020160759	1	41	-1.0	-53.72	348.87	0.54	-53.18
COC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020160760	0	34	-1.0	-43.71	300.00	2.06	-41.65
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020160760	1	34	-1.0	-43.76	300.05	2.07	-41.69
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2CC2(F)F)C=C1	REAL300020160761	0	34	-1.0	-41.73	305.48	3.73	-38.00
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2CC2(F)F)C=C1	REAL300020160761	1	34	-1.0	-41.73	305.53	3.75	-37.98
O=C(CCC1=N[N-]N=N1)NC1CCCCC2=CC(Br)=CC=C21	REAL300020160762	0	39	-1.0	-39.55	326.20	6.58	-32.97
O=C(CCC1=NN=N[N-]1)NC1CCCCC2=CC(Br)=CC=C21	REAL300020160762	1	39	-1.0	-39.57	326.25	6.60	-32.97
O=C(CCC1=NN=N[N-]1)NC1=CC=C(NC2=CC=CC=C2)C=N1	REAL300020160763	0	37	-1.0	-44.10	317.89	4.59	-39.51
O=C(CCC1=N[N-]N=N1)NC1=CC=C(NC2=CC=CC=C2)C=N1	REAL300020160763	1	37	-1.0	-44.15	317.83	4.57	-39.58
COC1=CC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2C=C1OC	REAL300020160764	0	40	-1.0	-43.09	336.34	4.08	-39.01
COC1=CC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2C=C1OC	REAL300020160764	1	40	-1.0	-43.07	336.40	4.09	-38.98
CC(C)(C)OC(=O)NCC1=CC(=O)NC(CNC(=O)CCC2=N[N-]N=N2)=N1	REAL300020160765	0	48	-1.0	-45.51	403.07	-0.48	-45.99
CC(C)(C)OC(=O)NCC1=CC(=O)NC(CNC(=O)CCC2=NN=N[N-]2)=N1	REAL300020160765	1	48	-1.0	-45.52	403.12	-0.46	-45.98
CC1(C2=NN=C(C3=CC=CN=C3)O2)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020160766	0	40	-1.0	-49.70	352.90	-0.34	-50.04
CC1(C2=NN=C(C3=CC=CN=C3)O2)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020160766	1	40	-1.0	-49.69	352.96	-0.33	-50.02
CN1C=C([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020160767	0	40	-1.0	-47.44	339.92	0.03	-47.41
CN1C=C([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020160767	1	40	-1.0	-47.42	339.86	0.02	-47.40
CN(NC(=O)OCC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020160768	0	37	-1.0	-41.63	329.13	3.75	-37.88
CN(NC(=O)OCC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020160768	1	37	-1.0	-41.62	329.18	3.76	-37.86
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C(F)(F)F)C(F)=C1	REAL300020160769	0	29	-1.0	-40.94	275.79	3.64	-37.30
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C(F)(F)F)C(F)=C1	REAL300020160769	1	29	-1.0	-40.96	275.85	3.65	-37.31
O=C(CCC1=N[N-]N=N1)NNC1=NC2=CC=CC=C2NC1=S	REAL300020160770	0	33	-1.0	-47.05	307.17	2.70	-44.35
O=C(CCC1=NN=N[N-]1)NNC1=NC2=CC=CC=C2NC1=S	REAL300020160770	1	33	-1.0	-47.03	307.22	2.71	-44.32
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=C(O)C2=CC=CC=C12	REAL300020160771	0	33	-1.0	-42.06	299.97	2.72	-39.34
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=C(O)C2=CC=CC=C12	REAL300020160771	1	33	-1.0	-42.03	300.03	2.74	-39.29
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=C([O-])C2=CC=CC=C12	REAL300020160771	1	32	-2.0	-90.34	296.41	3.49	-86.85
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=C([O-])C2=CC=CC=C12	REAL300020160771	1	32	-2.0	-90.32	296.47	3.50	-86.82
C=CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020160772	0	45	-1.0	-47.93	390.90	4.81	-43.12
C=CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020160772	1	45	-1.0	-47.95	390.96	4.83	-43.12
CSCC[C@H](NC(=O)C1=CC2=C(C=CC3=C2C=CC=C3)N1)C1=NN=N[N-]1	REAL300020160773	0	43	-1.0	-48.72	377.89	6.32	-42.40
CSCC[C@H](NC(=O)C1=CC2=C(C=CC3=C2C=CC=C3)N1)C1=N[N-]N=N1	REAL300020160773	1	43	-1.0	-48.73	377.83	6.30	-42.43
CSCC[C@H](NC(=O)CCC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020160774	0	39	-1.0	-43.04	374.03	6.48	-36.56
CSCC[C@H](NC(=O)CCC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020160774	1	39	-1.0	-43.05	374.09	6.50	-36.55
CSCC[C@H](NC(=O)C1=CC2=CC=C(C)C=C2N1)C1=N[N-]N=N1	REAL300020160775	0	40	-1.0	-45.81	352.66	4.68	-41.13
CSCC[C@H](NC(=O)C1=CC2=CC=C(C)C=C2N1)C1=NN=N[N-]1	REAL300020160775	1	40	-1.0	-45.80	352.72	4.70	-41.10
CSCC[C@H](NC(=O)C1CCCN(C2=NC=CC=N2)C1)C1=NN=N[N-]1	REAL300020160776	0	46	-1.0	-47.96	385.81	4.88	-43.08
CSCC[C@H](NC(=O)C1CCCN(C2=NC=CC=N2)C1)C1=N[N-]N=N1	REAL300020160776	1	46	-1.0	-47.96	385.75	4.86	-43.10
CSCC[C@H](NC(=O)CCNS(C)(=O)=O)C1=N[N-]N=N1	REAL300020160777	0	37	-1.0	-49.94	340.69	-2.10	-52.04
CSCC[C@H](NC(=O)CCNS(C)(=O)=O)C1=NN=N[N-]1	REAL300020160777	1	37	-1.0	-49.94	340.75	-2.09	-52.03
CSCC[C@H](NC(=O)CCC1=C(C)NN=C1C)C1=N[N-]N=N1	REAL300020160778	0	42	-1.0	-46.04	364.05	3.10	-42.94
CSCC[C@H](NC(=O)CCC1=C(C)NN=C1C)C1=NN=N[N-]1	REAL300020160778	1	42	-1.0	-46.05	364.10	3.11	-42.94
CSCC[C@H](NC(=O)C1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL300020160779	0	40	-1.0	-47.77	343.06	5.99	-41.78
CSCC[C@H](NC(=O)C1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL300020160779	1	40	-1.0	-47.77	343.12	6.00	-41.77
CSCC[C@H](NC(=O)CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020160780	0	43	-1.0	-51.05	381.04	5.98	-45.07
CSCC[C@H](NC(=O)CC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020160780	1	43	-1.0	-51.04	380.99	5.96	-45.08
CSCC[C@H](NC(=O)C1=CC=CC(CN2C(=O)CNC2=O)=C1)C1=N[N-]N=N1	REAL300020160781	0	45	-1.0	-57.42	400.34	2.69	-54.73
CSCC[C@H](NC(=O)C1=CC=CC(CN2C(=O)CNC2=O)=C1)C1=NN=N[N-]1	REAL300020160781	1	45	-1.0	-57.45	400.39	2.70	-54.75
CSCC[C@H](NC(=O)C1=CC2=CC=C(Br)C=C2N1)C1=N[N-]N=N1	REAL300020160782	0	37	-1.0	-43.50	352.56	4.63	-38.87
CSCC[C@H](NC(=O)C1=CC2=CC=C(Br)C=C2N1)C1=NN=N[N-]1	REAL300020160782	1	37	-1.0	-43.45	352.62	4.64	-38.81
CSCC[C@H](NC(=O)C1=CC2=CC(F)=CC=C2N1)C1=N[N-]N=N1	REAL300020160783	0	37	-1.0	-44.90	337.69	4.09	-40.81
CSCC[C@H](NC(=O)C1=CC2=CC(F)=CC=C2N1)C1=NN=N[N-]1	REAL300020160783	1	37	-1.0	-44.93	337.75	4.11	-40.82
CSCC[C@H](NC(=O)CCOC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300020160784	0	46	-1.0	-46.12	390.43	5.60	-40.52
CSCC[C@H](NC(=O)CCOC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300020160784	1	46	-1.0	-46.05	390.49	5.62	-40.43
CSCC[C@H](NC(=O)CCOC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300020160785	0	46	-1.0	-45.93	394.85	5.72	-40.21
CSCC[C@H](NC(=O)CCOC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300020160785	1	46	-1.0	-45.97	394.90	5.74	-40.23
CSCC[C@H](NC(=O)C1=CC2=CC(Br)=CC=C2N1)C1=N[N-]N=N1	REAL300020160786	0	37	-1.0	-44.21	352.55	4.65	-39.56
CSCC[C@H](NC(=O)C1=CC2=CC(Br)=CC=C2N1)C1=NN=N[N-]1	REAL300020160786	1	37	-1.0	-44.19	352.60	4.66	-39.53
CSCC[C@H](NC(=O)CC(NC(C)=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020160787	0	43	-1.0	-53.64	391.90	3.43	-50.21
CSCC[C@H](NC(=O)CC(NC(C)=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020160787	1	43	-1.0	-53.66	391.95	3.44	-50.22
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300020160788	0	35	-1.0	-42.60	332.27	3.34	-39.26
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300020160788	1	35	-1.0	-42.53	332.21	3.32	-39.21
CSCC[C@H](NC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C1=N[N-]N=N1	REAL300020160789	0	54	-1.0	-57.93	427.24	4.80	-53.13
CSCC[C@H](NC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C1=NN=N[N-]1	REAL300020160789	1	54	-1.0	-57.99	427.30	4.82	-53.17
CSCC[C@H](NC(=O)C1=C2N=C(C)C=C(C)N2N=C1)C1=N[N-]N=N1	REAL300020160790	0	41	-1.0	-59.31	364.87	4.19	-55.12
CSCC[C@H](NC(=O)C1=C2N=C(C)C=C(C)N2N=C1)C1=NN=N[N-]1	REAL300020160790	1	41	-1.0	-59.37	364.93	4.21	-55.16
CSCC[C@H](NC(=O)C1=CC=CC(OCC2CCCO2)=C1)C1=N[N-]N=N1	REAL300020160791	0	48	-1.0	-53.83	405.95	4.78	-49.05
CSCC[C@H](NC(=O)C1=CC=CC(OCC2CCCO2)=C1)C1=NN=N[N-]1	REAL300020160791	1	48	-1.0	-53.85	406.00	4.80	-49.05
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300020160792	0	35	-1.0	-42.84	333.68	3.35	-39.49
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300020160792	1	35	-1.0	-42.82	333.63	3.33	-39.49
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(C)C(F)=C2)C1)C1=N[N-]N=N1	REAL300020160793	0	47	-1.0	-45.81	403.52	5.73	-40.08
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(C)C(F)=C2)C1)C1=NN=N[N-]1	REAL300020160793	1	47	-1.0	-45.85	403.57	5.75	-40.10
CSCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C1=N[N-]N=N1	REAL300020160794	0	45	-1.0	-53.51	406.52	1.91	-51.60
CSCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C1=NN=N[N-]1	REAL300020160794	1	45	-1.0	-53.52	406.58	1.93	-51.59
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020160795	0	40	-1.0	-53.86	370.78	2.21	-51.65
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020160795	1	40	-1.0	-53.87	370.84	2.23	-51.64
CSCC[C@H](NC(=O)CCCNC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020160796	0	46	-1.0	-49.68	400.14	4.01	-45.67
CSCC[C@H](NC(=O)CCCNC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020160796	1	46	-1.0	-49.68	400.20	4.02	-45.66
COC1=CC=C(C(C)=O)C=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020160797	0	45	-1.0	-52.13	391.51	4.53	-47.60
COC1=CC=C(C(C)=O)C=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020160797	1	45	-1.0	-52.13	391.56	4.55	-47.58
CSCC[C@H](NC(=O)CCC1=CC=CS1)C1=N[N-]N=N1	REAL300020160798	0	36	-1.0	-45.33	333.78	4.66	-40.67
CSCC[C@H](NC(=O)CCC1=CC=CS1)C1=NN=N[N-]1	REAL300020160798	1	36	-1.0	-45.36	333.84	4.67	-40.69
CSCC[C@H](NC(=O)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020160799	0	40	-1.0	-50.11	356.63	5.15	-44.96
CSCC[C@H](NC(=O)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020160799	1	40	-1.0	-50.15	356.69	5.17	-44.98
CCC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160800	0	45	-1.0	-45.36	386.44	7.01	-38.35
CCC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160800	1	45	-1.0	-45.42	386.50	7.02	-38.40
COC1=CC=CC(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1OC	REAL300020160801	0	47	-1.0	-49.89	403.88	4.87	-45.02
COC1=CC=CC(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1OC	REAL300020160801	1	47	-1.0	-49.89	403.93	4.89	-45.00
COC1=CC2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2C=C1	REAL300020160802	0	43	-1.0	-47.75	373.03	5.66	-42.09
COC1=CC2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2C=C1	REAL300020160802	1	43	-1.0	-47.76	373.09	5.68	-42.08
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL300020160803	0	33	-1.0	-47.13	323.38	4.78	-42.35
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL300020160803	1	33	-1.0	-47.09	323.44	4.79	-42.30
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020160804	0	42	-1.0	-52.77	397.08	0.86	-51.91
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020160804	1	42	-1.0	-52.79	397.14	0.88	-51.91
CSCC[C@H](NC(=O)CSCC1=C(C)ON=C1C)C1=N[N-]N=N1	REAL300020160805	0	42	-1.0	-51.15	383.71	4.90	-46.25
CSCC[C@H](NC(=O)CSCC1=C(C)ON=C1C)C1=NN=N[N-]1	REAL300020160805	1	42	-1.0	-51.15	383.77	4.91	-46.24
CSCC[C@H](NC(=O)C1=C(CSC)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020160806	0	43	-1.0	-46.49	391.25	6.39	-40.10
CSCC[C@H](NC(=O)C1=C(CSC)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020160806	1	43	-1.0	-46.50	391.30	6.40	-40.10
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(Cl)=C1OC	REAL300020160807	0	41	-1.0	-43.44	376.13	3.95	-39.49
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020160807	1	41	-1.0	-43.43	376.19	3.96	-39.47
CSCC[C@H](NC(=O)CSCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020160808	0	40	-1.0	-48.29	372.99	6.20	-42.09
CSCC[C@H](NC(=O)CSCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020160808	1	40	-1.0	-48.32	373.05	6.21	-42.11
CSCC[C@H](NC(=O)CSCC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020160809	0	43	-1.0	-48.40	387.99	6.80	-41.60
CSCC[C@H](NC(=O)CSCC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020160809	1	43	-1.0	-48.38	388.05	6.81	-41.57
CON=CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160810	0	40	-1.0	-48.37	360.97	4.19	-44.18
CON=CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160810	1	40	-1.0	-48.33	361.02	4.21	-44.12
CSCC[C@H](NC(=O)C1CC(=O)N(C(C)C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020160811	0	50	-1.0	-45.52	418.34	6.19	-39.33
CSCC[C@H](NC(=O)C1CC(=O)N(C(C)C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020160811	1	50	-1.0	-45.55	418.40	6.21	-39.34
CSCC[C@H](NC(=O)CC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300020160812	0	46	-1.0	-47.91	384.86	7.25	-40.66
CSCC[C@H](NC(=O)CC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300020160812	1	46	-1.0	-47.97	384.91	7.27	-40.70
CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OCCC	REAL300020160813	0	53	-1.0	-47.65	442.85	6.74	-40.91
CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OCCC	REAL300020160813	1	53	-1.0	-47.63	442.91	6.76	-40.87
CSCC[C@H](NC(=O)CCC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020160814	0	39	-1.0	-48.98	349.12	5.60	-43.38
CSCC[C@H](NC(=O)CCC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020160814	1	39	-1.0	-48.95	349.18	5.62	-43.33
CSCC[C@H](NC(=O)C=CC1=CC=C(C2=CC=CC=C2F)O1)C1=N[N-]N=N1	REAL300020160815	0	44	-1.0	-51.29	402.62	7.37	-43.92
CSCC[C@H](NC(=O)C=CC1=CC=C(C2=CC=CC=C2F)O1)C1=NN=N[N-]1	REAL300020160815	1	44	-1.0	-51.26	402.68	7.38	-43.88
CSCC[C@H](NC(=O)CCCC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020160816	0	44	-1.0	-53.54	396.72	5.77	-47.77
CSCC[C@H](NC(=O)CCCC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020160816	1	44	-1.0	-53.52	396.78	5.79	-47.73
CSCC[C@H](NC(=O)C(C)NC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020160817	0	43	-1.0	-42.14	392.76	3.96	-38.18
CSCC[C@H](NC(=O)C(C)NC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020160817	1	43	-1.0	-42.23	392.82	3.97	-38.26
CSCC[C@H](NC(=O)CCCNC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020160818	0	46	-1.0	-48.10	416.85	4.53	-43.57
CSCC[C@H](NC(=O)CCCNC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020160818	1	46	-1.0	-48.08	416.91	4.54	-43.54
CSCC[C@H](NC(=O)CN1C(=O)C2CCCCC2C1=O)C1=N[N-]N=N1	REAL300020160819	0	46	-1.0	-51.86	390.17	4.03	-47.83
CSCC[C@H](NC(=O)CN1C(=O)C2CCCCC2C1=O)C1=NN=N[N-]1	REAL300020160819	1	46	-1.0	-51.87	390.23	4.05	-47.82
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020160820	0	50	-1.0	-49.20	425.54	8.70	-40.50
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020160820	1	50	-1.0	-49.21	425.60	8.71	-40.50
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020160821	0	40	-1.0	-51.47	348.63	5.78	-45.69
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020160821	1	40	-1.0	-51.48	348.68	5.80	-45.68
CCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020160822	0	50	-1.0	-47.66	421.00	5.80	-41.86
CCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020160822	1	50	-1.0	-47.67	421.06	5.82	-41.85
CSCC[C@H](NC(=O)CCCOC1=CC=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300020160823	0	46	-1.0	-48.17	408.98	6.26	-41.91
CSCC[C@H](NC(=O)CCCOC1=CC=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300020160823	1	46	-1.0	-48.21	409.03	6.28	-41.93
CSCC[C@H](NC(=O)CSC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020160824	0	39	-1.0	-47.09	368.87	5.88	-41.21
CSCC[C@H](NC(=O)CSC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020160824	1	39	-1.0	-47.08	368.93	5.90	-41.18
CCOC1=CC=C(C(=O)CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160825	0	48	-1.0	-45.45	414.93	5.63	-39.82
CCOC1=CC=C(C(=O)CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160825	1	48	-1.0	-45.46	414.99	5.65	-39.81
CSCC[C@H](NC(=O)COC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020160826	0	43	-1.0	-51.46	377.09	6.92	-44.54
CSCC[C@H](NC(=O)COC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020160826	1	43	-1.0	-51.47	377.15	6.94	-44.53
CSCC[C@H](NC(=O)CCSC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020160827	0	40	-1.0	-45.48	362.35	6.02	-39.46
CSCC[C@H](NC(=O)CCSC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020160827	1	40	-1.0	-45.47	362.41	6.04	-39.43
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020160828	0	44	-1.0	-54.56	386.79	4.43	-50.13
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020160828	1	44	-1.0	-54.54	386.85	4.45	-50.09
CSCC[C@H](NC(=O)CCSC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020160829	0	43	-1.0	-45.52	383.75	6.70	-38.82
CSCC[C@H](NC(=O)CCSC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020160829	1	43	-1.0	-45.52	383.81	6.72	-38.80
CSCC[C@H](NC(=O)COC1=CC=C2C(C)=CC(=O)OC2=C1)C1=N[N-]N=N1	REAL300020160830	0	45	-1.0	-59.28	396.90	6.73	-52.55
CSCC[C@H](NC(=O)COC1=CC=C2C(C)=CC(=O)OC2=C1)C1=NN=N[N-]1	REAL300020160830	1	45	-1.0	-59.26	396.96	6.74	-52.52
CCC(OC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020160831	0	43	-1.0	-49.88	362.83	5.87	-44.01
CCC(OC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020160831	1	43	-1.0	-49.85	362.89	5.89	-43.96
CSCC[C@H](NC(=O)C1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL300020160832	0	37	-1.0	-47.33	336.68	3.68	-43.65
CSCC[C@H](NC(=O)C1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL300020160832	1	37	-1.0	-47.33	336.74	3.70	-43.63
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300020160833	0	47	-1.0	-51.84	414.67	1.68	-50.16
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300020160833	1	47	-1.0	-51.83	414.73	1.69	-50.14
CSCC[C@H](NC(=O)COC1=CC(C)=CC=C1Cl)C1=N[N-]N=N1	REAL300020160834	0	40	-1.0	-51.13	368.51	5.85	-45.28
CSCC[C@H](NC(=O)COC1=CC(C)=CC=C1Cl)C1=NN=N[N-]1	REAL300020160834	1	40	-1.0	-51.13	368.57	5.87	-45.26
CSCC[C@H](NC(=O)COC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL300020160835	0	44	-1.0	-49.93	376.63	6.56	-43.37
CSCC[C@H](NC(=O)COC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL300020160835	1	44	-1.0	-49.94	376.69	6.57	-43.37
CSCC[C@H](NC(=O)CC1OC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020160836	0	40	-1.0	-52.27	359.46	5.62	-46.65
CSCC[C@H](NC(=O)CC1OC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020160836	1	40	-1.0	-52.29	359.52	5.63	-46.66
CSCC[C@H](NC(=O)C(C)OC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020160837	0	43	-1.0	-47.42	385.33	6.45	-40.97
CSCC[C@H](NC(=O)C(C)OC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020160837	1	43	-1.0	-47.40	385.38	6.46	-40.94
COC1=CC=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020160838	0	37	-1.0	-48.65	341.58	5.15	-43.50
COC1=CC=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020160838	1	37	-1.0	-48.64	341.63	5.17	-43.47
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300020160839	0	38	-1.0	-43.88	371.67	5.11	-38.77
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300020160839	1	38	-1.0	-43.91	371.72	5.12	-38.79
CSCC[C@H](NC(=O)C1=CC=C2SCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020160840	0	39	-1.0	-47.66	357.47	3.10	-44.56
CSCC[C@H](NC(=O)C1=CC=C2SCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020160840	1	39	-1.0	-47.68	357.53	3.12	-44.56
CCCOC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160841	0	47	-1.0	-49.23	403.92	5.65	-43.58
CCCOC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160841	1	47	-1.0	-49.21	403.98	5.67	-43.54
CSCC[C@H](NC(=O)C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020160842	0	39	-1.0	-49.91	339.10	6.37	-43.54
CSCC[C@H](NC(=O)C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020160842	1	39	-1.0	-49.89	339.05	6.36	-43.53
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2OC1=O)C1=N[N-]N=N1	REAL300020160843	0	38	-1.0	-52.04	344.34	5.56	-46.48
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2OC1=O)C1=NN=N[N-]1	REAL300020160843	1	38	-1.0	-52.05	344.40	5.57	-46.48
CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OCC	REAL300020160844	0	47	-1.0	-48.07	399.86	5.14	-42.93
CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OCC	REAL300020160844	1	47	-1.0	-48.09	399.91	5.16	-42.93
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020160845	0	39	-1.0	-52.46	352.92	4.84	-47.62
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020160845	1	39	-1.0	-52.49	352.98	4.85	-47.64
CSCC[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020160846	0	51	-1.0	-48.07	385.59	6.19	-41.88
CSCC[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020160846	1	51	-1.0	-48.09	385.65	6.20	-41.89
CSCC[C@H](NC(=O)C1=CC=CC([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020160847	0	38	-1.0	-47.60	335.85	5.26	-42.34
CSCC[C@H](NC(=O)C1=CC=CC([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020160847	1	38	-1.0	-47.61	335.90	5.27	-42.34
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020160848	0	49	-1.0	-48.03	410.96	8.67	-39.36
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020160848	1	49	-1.0	-48.06	411.02	8.68	-39.38
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C=C1Cl)C1=N[N-]N=N1	REAL300020160849	0	33	-1.0	-41.95	322.73	4.72	-37.23
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C=C1Cl)C1=NN=N[N-]1	REAL300020160849	1	33	-1.0	-41.99	322.79	4.74	-37.25
COC1=CC(OC)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020160850	0	45	-1.0	-51.27	383.40	3.88	-47.39
COC1=CC(OC)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020160850	1	45	-1.0	-51.26	383.46	3.89	-47.37
CSCC[C@H](NC(=O)COC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300020160851	0	43	-1.0	-49.45	373.89	5.98	-43.47
CSCC[C@H](NC(=O)COC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300020160851	1	43	-1.0	-49.52	373.95	6.00	-43.52
CSCC[C@H](NC(=O)COC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020160852	0	40	-1.0	-50.29	369.80	5.65	-44.64
CSCC[C@H](NC(=O)COC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020160852	1	40	-1.0	-50.33	369.86	5.67	-44.66
COC1=CC=CC=C1OCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020160853	0	41	-1.0	-53.75	360.32	4.41	-49.34
COC1=CC=CC=C1OCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020160853	1	41	-1.0	-53.74	360.38	4.42	-49.32
COC1=CC=C(C(=O)NCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020160854	0	48	-1.0	-46.82	415.12	1.80	-45.02
COC1=CC=C(C(=O)NCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020160854	1	48	-1.0	-46.78	415.18	1.82	-44.96
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020160855	0	52	-1.0	-44.77	432.61	4.90	-39.87
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020160855	1	52	-1.0	-44.76	432.67	4.92	-39.84
CSCC[C@H](NC(=O)COC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300020160856	0	43	-1.0	-49.64	369.48	5.86	-43.78
CSCC[C@H](NC(=O)COC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300020160856	1	43	-1.0	-49.66	369.54	5.88	-43.78
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020160857	0	44	-1.0	-51.82	397.66	1.15	-50.67
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020160857	1	44	-1.0	-51.83	397.72	1.16	-50.67
CSCC[C@H](NC(=O)C(C)N1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020160858	0	43	-1.0	-57.49	380.91	5.15	-52.34
CSCC[C@H](NC(=O)C(C)N1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020160858	1	43	-1.0	-57.49	380.96	5.17	-52.32
COC1=CC=C(OC)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020160859	0	41	-1.0	-51.39	354.30	3.91	-47.48
COC1=CC=C(OC)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020160859	1	41	-1.0	-51.36	354.36	3.93	-47.43
CSCC[C@H](NC(=O)C1=NNC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020160860	0	38	-1.0	-43.57	341.07	1.95	-41.62
CSCC[C@H](NC(=O)C1=NNC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020160860	1	38	-1.0	-43.58	341.13	1.96	-41.62
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])O1)C1=N[N-]N=N1	REAL300020160861	0	32	-1.0	-42.06	312.22	2.76	-39.30
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])O1)C1=NN=N[N-]1	REAL300020160861	1	32	-1.0	-42.12	312.28	2.77	-39.35
CSCC[C@H](NC(=O)COC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020160862	0	37	-1.0	-49.55	363.83	5.70	-43.85
CSCC[C@H](NC(=O)COC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020160862	1	37	-1.0	-49.55	363.89	5.71	-43.84
CSCC[C@H](NC(=O)C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300020160863	0	33	-1.0	-47.76	313.80	4.70	-43.06
CSCC[C@H](NC(=O)C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300020160863	1	33	-1.0	-47.76	313.86	4.72	-43.04
CSCC[C@H](NC(=O)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020160864	0	33	-1.0	-48.38	310.06	4.59	-43.79
CSCC[C@H](NC(=O)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020160864	1	33	-1.0	-48.41	310.12	4.61	-43.80
CCCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020160865	0	45	-1.0	-45.22	379.16	6.76	-38.46
CCCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020160865	1	45	-1.0	-45.25	379.21	6.78	-38.47
CSCC[C@H](NC(=O)CN1C=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020160866	0	41	-1.0	-61.08	367.86	5.28	-55.80
CSCC[C@H](NC(=O)CN1C=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020160866	1	41	-1.0	-61.14	367.80	5.27	-55.87
CSCC[C@H](NC(=O)C=CC1=CC=C(C)O1)C1=N[N-]N=N1	REAL300020160867	0	37	-1.0	-46.86	336.61	4.30	-42.56
CSCC[C@H](NC(=O)C=CC1=CC=C(C)O1)C1=NN=N[N-]1	REAL300020160867	1	37	-1.0	-46.84	336.66	4.32	-42.52
CSCC[C@H](NC(=O)CCC(=O)N1CCOCC1)C1=N[N-]N=N1	REAL300020160868	0	44	-1.0	-45.81	372.09	1.66	-44.15
CSCC[C@H](NC(=O)CCC(=O)N1CCOCC1)C1=NN=N[N-]1	REAL300020160868	1	44	-1.0	-45.83	372.14	1.68	-44.15
CSCC[C@H](NC(=O)C=CC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL300020160869	0	41	-1.0	-48.47	371.23	4.86	-43.61
CSCC[C@H](NC(=O)C=CC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL300020160869	1	41	-1.0	-48.47	371.29	4.88	-43.59
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL300020160870	0	37	-1.0	-46.54	340.73	0.58	-45.96
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL300020160870	1	37	-1.0	-46.56	340.79	0.60	-45.96
COC1=CC=CC(C(=O)NCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020160871	0	44	-1.0	-46.85	385.98	1.88	-44.97
COC1=CC=CC(C(=O)NCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020160871	1	44	-1.0	-46.84	386.04	1.89	-44.95
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020160872	0	43	-1.0	-46.14	382.52	1.25	-44.89
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020160872	1	43	-1.0	-46.14	382.58	1.26	-44.88
COC1=CC(C(=O)NCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1	REAL300020160873	0	48	-1.0	-47.96	415.44	1.19	-46.77
COC1=CC(C(=O)NCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1	REAL300020160873	1	48	-1.0	-47.97	415.50	1.20	-46.77
CCOC1=CC=C(C(=O)NCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160874	0	47	-1.0	-45.00	407.76	2.82	-42.18
CCOC1=CC=C(C(=O)NCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160874	1	47	-1.0	-44.99	407.82	2.83	-42.16
CCOC(=O)N1CCCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020160875	0	47	-1.0	-46.79	393.32	3.91	-42.88
CCOC(=O)N1CCCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020160875	1	47	-1.0	-46.73	393.37	3.92	-42.81
CSCC[C@H](NC(=O)C(NC(=O)C1=CC=C(F)C=C1)C(C)C)C1=N[N-]N=N1	REAL300020160876	0	49	-1.0	-42.35	414.96	4.89	-37.46
CSCC[C@H](NC(=O)C(NC(=O)C1=CC=C(F)C=C1)C(C)C)C1=NN=N[N-]1	REAL300020160876	1	49	-1.0	-42.42	415.02	4.90	-37.52
CCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160877	0	46	-1.0	-45.81	391.79	5.92	-39.89
CCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160877	1	46	-1.0	-45.85	391.84	5.93	-39.92
CSCC[C@H](NC(=O)CC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020160878	0	38	-1.0	-48.30	350.37	5.43	-42.87
CSCC[C@H](NC(=O)CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020160878	1	38	-1.0	-48.30	350.43	5.45	-42.85
CSCC[C@H](NC(=O)CCSC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020160879	0	40	-1.0	-45.11	377.37	6.48	-38.63
CSCC[C@H](NC(=O)CCSC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020160879	1	40	-1.0	-45.10	377.42	6.49	-38.61
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C1=N[N-]N=N1	REAL300020160880	0	45	-1.0	-44.43	400.65	3.76	-40.67
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C1=NN=N[N-]1	REAL300020160880	1	45	-1.0	-44.43	400.71	3.78	-40.65
CCOC(=O)C1=C(C)NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020160881	0	46	-1.0	-48.61	402.24	4.75	-43.86
CCOC(=O)C1=C(C)NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020160881	1	46	-1.0	-48.65	402.30	4.77	-43.88
CSCC[C@H](NC(=O)CCN1C(=O)C2CCCCC2C1=O)C1=N[N-]N=N1	REAL300020160882	0	49	-1.0	-49.93	411.13	4.42	-45.51
CSCC[C@H](NC(=O)CCN1C(=O)C2CCCCC2C1=O)C1=NN=N[N-]1	REAL300020160882	1	49	-1.0	-49.91	411.19	4.43	-45.48
CSCC[C@H](NC(=O)C1=CC(C)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020160883	0	41	-1.0	-46.80	355.36	5.09	-41.71
CSCC[C@H](NC(=O)C1=CC(C)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020160883	1	41	-1.0	-46.80	355.31	5.08	-41.72
CSCC[C@H](NC(=O)CC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020160884	0	39	-1.0	-46.84	338.93	5.24	-41.60
CSCC[C@H](NC(=O)CC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020160884	1	39	-1.0	-46.84	338.98	5.26	-41.58
CSCC[C@H](NC(=O)C=CC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020160885	0	39	-1.0	-50.66	360.26	5.95	-44.71
CSCC[C@H](NC(=O)C=CC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020160885	1	39	-1.0	-50.64	360.32	5.96	-44.68
CSCC[C@H](NC(=O)C1=CC(C2=CC=CO2)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020160886	0	45	-1.0	-48.03	396.08	6.27	-41.76
CSCC[C@H](NC(=O)C1=CC(C2=CC=CO2)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020160886	1	45	-1.0	-48.00	396.02	6.25	-41.75
CSCC[C@H](NC(=O)CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020160887	0	36	-1.0	-45.76	343.45	5.39	-40.37
CSCC[C@H](NC(=O)CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020160887	1	36	-1.0	-45.77	343.51	5.40	-40.37
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL300020160888	0	33	-1.0	-44.93	316.45	4.67	-40.26
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL300020160888	1	33	-1.0	-44.92	316.51	4.69	-40.23
CSCC[C@H](NC(=O)CC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020160889	0	38	-1.0	-48.41	342.82	5.10	-43.31
CSCC[C@H](NC(=O)CC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020160889	1	38	-1.0	-48.44	342.88	5.11	-43.33
CSCC[C@H](NC(=O)CSC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020160890	0	36	-1.0	-46.73	335.81	3.45	-43.28
CSCC[C@H](NC(=O)CSC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020160890	1	36	-1.0	-46.75	335.86	3.47	-43.28
COC1=CC=C(C(=O)NCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160891	0	44	-1.0	-45.28	385.91	1.88	-43.40
COC1=CC=C(C(=O)NCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160891	1	44	-1.0	-45.26	385.96	1.90	-43.36
CSCC[C@H](NC(=O)C1=CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020160892	0	39	-1.0	-46.82	344.46	3.18	-43.64
CSCC[C@H](NC(=O)C1=CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020160892	1	39	-1.0	-46.81	344.40	3.17	-43.64
CSCC[C@H](NC(=O)CCOC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020160893	0	43	-1.0	-45.62	373.43	5.07	-40.55
CSCC[C@H](NC(=O)CCOC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020160893	1	43	-1.0	-45.62	373.49	5.08	-40.54
CSCC[C@H](NC(=O)CCSC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020160894	0	40	-1.0	-44.11	379.08	6.55	-37.56
CSCC[C@H](NC(=O)CCSC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020160894	1	40	-1.0	-44.09	379.14	6.56	-37.53
COC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160895	0	41	-1.0	-49.67	360.57	3.92	-45.75
COC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160895	1	41	-1.0	-49.68	360.63	3.94	-45.74
CSCC[C@H](NC(=O)CCC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020160896	0	41	-1.0	-47.02	375.22	4.99	-42.03
CSCC[C@H](NC(=O)CCC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020160896	1	41	-1.0	-47.02	375.28	5.01	-42.01
CSCC[C@H](NC(=O)COC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020160897	0	37	-1.0	-51.51	347.10	5.19	-46.32
CSCC[C@H](NC(=O)COC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020160897	1	37	-1.0	-51.52	347.16	5.20	-46.32
CSCC[C@H](NC(=O)COC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020160898	0	40	-1.0	-49.49	352.49	5.33	-44.16
CSCC[C@H](NC(=O)COC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020160898	1	40	-1.0	-49.49	352.54	5.34	-44.15
CSCC[C@H](NC(=O)CCSC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300020160899	0	46	-1.0	-45.93	400.75	7.23	-38.70
CSCC[C@H](NC(=O)CCSC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300020160899	1	46	-1.0	-45.93	400.80	7.24	-38.69
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160900	0	39	-1.0	-45.66	352.28	4.76	-40.90
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160900	1	39	-1.0	-45.63	352.34	4.77	-40.86
CSCC[C@H](NC(=O)C1=CC=C(COC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020160901	0	47	-1.0	-48.98	408.80	7.36	-41.62
CSCC[C@H](NC(=O)C1=CC=C(COC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020160901	1	47	-1.0	-48.93	408.86	7.37	-41.56
CSCC[C@H](NC(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020160902	0	47	-1.0	-50.91	408.78	7.37	-43.54
CSCC[C@H](NC(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020160902	1	47	-1.0	-50.90	408.83	7.38	-43.52
CCOC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160903	0	43	-1.0	-48.37	373.52	4.99	-43.38
CCOC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160903	1	43	-1.0	-48.36	373.57	5.00	-43.36
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2C)C(C)=C1)C1=N[N-]N=N1	REAL300020160904	0	50	-1.0	-49.33	424.23	8.92	-40.41
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2C)C(C)=C1)C1=NN=N[N-]1	REAL300020160904	1	50	-1.0	-49.31	424.28	8.93	-40.38
CSCC[C@H](NC(=O)CCC1=C(C)ON=C1C)C1=N[N-]N=N1	REAL300020160905	0	41	-1.0	-44.86	360.68	4.33	-40.53
CSCC[C@H](NC(=O)CCC1=C(C)ON=C1C)C1=NN=N[N-]1	REAL300020160905	1	41	-1.0	-44.82	360.74	4.34	-40.48
CCOC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160906	0	44	-1.0	-49.56	382.42	4.85	-44.71
CCOC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160906	1	44	-1.0	-49.59	382.48	4.86	-44.73
CSCC[C@H](NC(=O)C1=CC=C2SC(C)C(=O)NC2=C1)C1=N[N-]N=N1	REAL300020160907	0	42	-1.0	-47.06	376.96	3.83	-43.23
CSCC[C@H](NC(=O)C1=CC=C2SC(C)C(=O)NC2=C1)C1=NN=N[N-]1	REAL300020160907	1	42	-1.0	-47.01	377.02	3.84	-43.17
CSCC[C@H](NC(=O)COC1=CC=C2C=CC(=O)OC2=C1)C1=N[N-]N=N1	REAL300020160908	0	42	-1.0	-59.91	378.78	6.16	-53.75
CSCC[C@H](NC(=O)COC1=CC=C2C=CC(=O)OC2=C1)C1=NN=N[N-]1	REAL300020160908	1	42	-1.0	-59.91	378.83	6.17	-53.74
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OCC#N	REAL300020160909	0	46	-1.0	-54.46	411.90	5.18	-49.28
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OCC#N	REAL300020160909	1	46	-1.0	-54.43	411.96	5.20	-49.23
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020160910	0	47	-1.0	-47.86	408.22	4.55	-43.31
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020160910	1	47	-1.0	-47.82	408.28	4.57	-43.25
CSCC[C@H](NC(=O)C1=NOC(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300020160911	0	39	-1.0	-43.54	372.95	5.65	-37.89
CSCC[C@H](NC(=O)C1=NOC(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300020160911	1	39	-1.0	-43.52	372.89	5.64	-37.88
CSCC[C@H](NC(=O)CN1C=CC=CC1=O)C1=N[N-]N=N1	REAL300020160912	0	36	-1.0	-50.08	326.32	3.38	-46.70
CSCC[C@H](NC(=O)CN1C=CC=CC1=O)C1=NN=N[N-]1	REAL300020160912	1	36	-1.0	-50.09	326.38	3.40	-46.69
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020160913	0	38	-1.0	-51.04	364.80	-0.43	-51.47
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020160913	1	38	-1.0	-51.01	364.86	-0.42	-51.43
CSCC[C@H](NC(=O)CNC(=O)C1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300020160914	0	46	-1.0	-45.49	399.31	3.91	-41.58
CSCC[C@H](NC(=O)CNC(=O)C1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300020160914	1	46	-1.0	-45.51	399.37	3.93	-41.58
CSCC[C@H](NC(=O)CNC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL300020160915	0	46	-1.0	-43.43	382.29	2.83	-40.60
CSCC[C@H](NC(=O)CNC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL300020160915	1	46	-1.0	-43.41	382.35	2.85	-40.56
CCOC1=CC=CC=C1C(=O)NCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020160916	0	47	-1.0	-48.95	405.68	4.06	-44.89
CCOC1=CC=CC=C1C(=O)NCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020160916	1	47	-1.0	-48.93	405.74	4.07	-44.86
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020160917	0	37	-1.0	-45.10	348.65	1.58	-43.52
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020160917	1	37	-1.0	-45.11	348.71	1.60	-43.51
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020160918	0	40	-1.0	-44.74	362.92	2.65	-42.09
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020160918	1	40	-1.0	-44.71	362.98	2.66	-42.05
CSCC[C@H](NC(=O)C=CC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300020160919	0	37	-1.0	-46.29	353.37	5.90	-40.39
CSCC[C@H](NC(=O)C=CC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300020160919	1	37	-1.0	-46.27	353.42	5.91	-40.36
CSCC[C@H](NC(=O)C=CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020160920	0	40	-1.0	-46.55	353.47	5.95	-40.60
CSCC[C@H](NC(=O)C=CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020160920	1	40	-1.0	-46.55	353.52	5.97	-40.58
CCN1N=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL300020160921	0	44	-1.0	-44.63	383.37	4.45	-40.18
CCN1N=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL300020160921	1	44	-1.0	-44.63	383.42	4.47	-40.16
CSCC[C@H](NC(=O)CSC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020160922	0	37	-1.0	-45.41	357.40	5.73	-39.68
CSCC[C@H](NC(=O)CSC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020160922	1	37	-1.0	-45.43	357.46	5.75	-39.68
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020160923	0	42	-1.0	-51.05	385.89	5.74	-45.31
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020160923	1	42	-1.0	-51.06	385.83	5.72	-45.34
CSCC[C@H](NC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1)C1=N[N-]N=N1	REAL300020160924	0	47	-1.0	-51.28	392.20	6.58	-44.70
CSCC[C@H](NC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1)C1=NN=N[N-]1	REAL300020160924	1	47	-1.0	-51.31	392.26	6.59	-44.72
CCN1C2=CC=CC=C2N=C1SCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020160925	0	46	-1.0	-48.19	413.43	6.77	-41.42
CCN1C2=CC=CC=C2N=C1SCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020160925	1	46	-1.0	-48.25	413.37	6.75	-41.50
CSCC[C@H](NC(=O)C1=CC=C(N2CCCC2=O)C=C1)C1=N[N-]N=N1	REAL300020160926	0	44	-1.0	-55.04	375.13	5.23	-49.81
CSCC[C@H](NC(=O)C1=CC=C(N2CCCC2=O)C=C1)C1=NN=N[N-]1	REAL300020160926	1	44	-1.0	-55.06	375.19	5.24	-49.82
CSCC[C@H](NC(=O)C1=CC=C2NC3=C(CC(C)CC3)C2=C1)C1=N[N-]N=N1	REAL300020160927	0	50	-1.0	-51.39	413.20	7.17	-44.22
CSCC[C@H](NC(=O)C1=CC=C2NC3=C(CC(C)CC3)C2=C1)C1=NN=N[N-]1	REAL300020160927	1	50	-1.0	-51.41	413.25	7.18	-44.23
CSCC[C@H](NC(=O)C1=CC=CC(OCC(C)C)=C1)C1=N[N-]N=N1	REAL300020160928	0	46	-1.0	-49.30	390.47	5.80	-43.50
CSCC[C@H](NC(=O)C1=CC=CC(OCC(C)C)=C1)C1=NN=N[N-]1	REAL300020160928	1	46	-1.0	-49.28	390.53	5.81	-43.47
CSCC[C@H](NC(=O)C1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300020160929	0	45	-1.0	-46.60	378.65	6.76	-39.84
CSCC[C@H](NC(=O)C1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300020160929	1	45	-1.0	-46.64	378.71	6.78	-39.86
CSCC[C@H](NC(=O)C1=CC=C(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300020160930	0	49	-1.0	-45.95	399.32	7.87	-38.08
CSCC[C@H](NC(=O)C1=CC=C(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300020160930	1	49	-1.0	-45.93	399.38	7.89	-38.04
COCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160931	0	40	-1.0	-47.72	352.59	3.81	-43.91
COCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160931	1	40	-1.0	-47.71	352.65	3.82	-43.89
CSCC[C@H](NC(=O)C1=CC=C(COC(C)C)C=C1)C1=N[N-]N=N1	REAL300020160932	0	46	-1.0	-47.79	394.72	5.53	-42.26
CSCC[C@H](NC(=O)C1=CC=C(COC(C)C)C=C1)C1=NN=N[N-]1	REAL300020160932	1	46	-1.0	-47.75	394.78	5.55	-42.20
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C1=N[N-]N=N1	REAL300020160933	0	41	-1.0	-46.97	367.11	1.52	-45.45
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C1=NN=N[N-]1	REAL300020160933	1	41	-1.0	-46.97	367.16	1.53	-45.44
CSCC[C@H](NC(=O)CC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL300020160934	0	43	-1.0	-48.18	367.67	6.67	-41.51
CSCC[C@H](NC(=O)CC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL300020160934	1	43	-1.0	-48.19	367.73	6.69	-41.50
CSCC[C@H](NC(=O)C1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL300020160935	0	32	-1.0	-49.30	305.25	2.78	-46.52
CSCC[C@H](NC(=O)C1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL300020160935	1	32	-1.0	-49.23	305.19	2.76	-46.47
CSCC[C@H](NC(=O)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020160936	0	47	-1.0	-50.97	401.03	6.36	-44.61
CSCC[C@H](NC(=O)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020160936	1	47	-1.0	-50.99	401.08	6.38	-44.61
CSCC[C@H](NC(=O)CC(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020160937	0	42	-1.0	-44.74	357.00	6.01	-38.73
CSCC[C@H](NC(=O)CC(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020160937	1	42	-1.0	-44.75	357.05	6.03	-38.72
CSCC[C@H](NC(=O)C1=CC=C(SC)C=C1)C1=N[N-]N=N1	REAL300020160938	0	37	-1.0	-45.87	337.57	5.11	-40.76
CSCC[C@H](NC(=O)C1=CC=C(SC)C=C1)C1=NN=N[N-]1	REAL300020160938	1	37	-1.0	-45.84	337.63	5.12	-40.72
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL300020160939	0	37	-1.0	-48.59	332.01	0.88	-47.71
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL300020160939	1	37	-1.0	-48.56	332.07	0.89	-47.67
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020160940	0	47	-1.0	-49.19	400.90	7.91	-41.28
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020160940	1	47	-1.0	-49.17	400.95	7.93	-41.24
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020160941	0	47	-1.0	-47.79	410.57	8.09	-39.70
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020160941	1	47	-1.0	-47.76	410.63	8.10	-39.66
CSCC[C@H](NC(=O)CC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020160942	0	36	-1.0	-46.26	327.57	4.80	-41.46
CSCC[C@H](NC(=O)CC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020160942	1	36	-1.0	-46.32	327.63	4.81	-41.51
CSCC[C@H](NC(=O)C1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020160943	0	37	-1.0	-44.26	343.43	3.90	-40.36
CSCC[C@H](NC(=O)C1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020160943	1	37	-1.0	-44.28	343.49	3.91	-40.37
CSCC[C@H](NC(=O)COC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020160944	0	40	-1.0	-49.22	351.16	5.36	-43.86
CSCC[C@H](NC(=O)COC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020160944	1	40	-1.0	-49.22	351.21	5.37	-43.85
CSCC[C@H](NC(=O)C1=CC=C(NC(C)=O)C=C1)C1=N[N-]N=N1	REAL300020160945	0	40	-1.0	-55.12	353.79	3.00	-52.12
CSCC[C@H](NC(=O)C1=CC=C(NC(C)=O)C=C1)C1=NN=N[N-]1	REAL300020160945	1	40	-1.0	-55.13	353.85	3.01	-52.12
CSCC[C@H](NC(=O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020160946	0	39	-1.0	-45.46	343.55	5.57	-39.89
CSCC[C@H](NC(=O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020160946	1	39	-1.0	-45.44	343.61	5.58	-39.86
CSCC[C@H](NC(=O)CCCC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020160947	0	46	-1.0	-52.19	396.97	6.40	-45.79
CSCC[C@H](NC(=O)CCCC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020160947	1	46	-1.0	-52.19	397.02	6.42	-45.77
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300020160948	0	33	-1.0	-46.43	318.83	4.69	-41.74
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300020160948	1	33	-1.0	-46.43	318.89	4.71	-41.72
CSCC[C@H](NC(=O)CC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020160949	0	40	-1.0	-52.93	354.06	4.82	-48.11
CSCC[C@H](NC(=O)CC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020160949	1	40	-1.0	-52.88	354.12	4.83	-48.05
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020160950	0	40	-1.0	-45.47	356.51	2.58	-42.89
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020160950	1	40	-1.0	-45.48	356.57	2.59	-42.89
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020160951	0	33	-1.0	-43.89	318.82	4.70	-39.19
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020160951	1	33	-1.0	-43.83	318.88	4.72	-39.11
CSCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020160952	0	44	-1.0	-51.69	393.07	2.07	-49.62
CSCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020160952	1	44	-1.0	-51.69	393.13	2.08	-49.61
CCOC(=O)C1=C(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C)N1	REAL300020160953	0	46	-1.0	-45.68	403.99	4.42	-41.26
CCOC(=O)C1=C(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C)N1	REAL300020160953	1	46	-1.0	-45.66	404.04	4.44	-41.22
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020160954	0	45	-1.0	-49.30	400.44	4.77	-44.53
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020160954	1	45	-1.0	-49.31	400.50	4.79	-44.52
CSCC[C@H](NC(=O)CCCOC1=CC=C(C(C)=O)C=C1)C1=N[N-]N=N1	REAL300020160955	0	48	-1.0	-53.78	416.12	5.66	-48.12
CSCC[C@H](NC(=O)CCCOC1=CC=C(C(C)=O)C=C1)C1=NN=N[N-]1	REAL300020160955	1	48	-1.0	-53.74	416.17	5.68	-48.06
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020160956	0	47	-1.0	-47.82	395.90	4.84	-42.98
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020160956	1	47	-1.0	-47.84	395.96	4.85	-42.99
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OCCC(C)C	REAL300020160957	0	53	-1.0	-47.47	438.56	6.32	-41.15
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OCCC(C)C	REAL300020160957	1	53	-1.0	-47.47	438.62	6.34	-41.13
CSCC[C@H](NC(=O)CN1C(=O)COC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020160958	0	42	-1.0	-50.11	368.65	3.53	-46.58
CSCC[C@H](NC(=O)CN1C(=O)COC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020160958	1	42	-1.0	-50.13	368.71	3.55	-46.58
CCC1=CC=CC=C1OCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020160959	0	43	-1.0	-49.30	372.77	6.11	-43.19
CCC1=CC=CC=C1OCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020160959	1	43	-1.0	-49.31	372.83	6.13	-43.18
CSCC[C@H](NC(=O)COC1=CC=CC=C1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020160960	0	50	-1.0	-52.33	430.55	9.14	-43.19
CSCC[C@H](NC(=O)COC1=CC=CC=C1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020160960	1	50	-1.0	-52.32	430.61	9.15	-43.17
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020160961	0	51	-1.0	-48.79	430.44	6.03	-42.76
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020160961	1	51	-1.0	-48.78	430.50	6.04	-42.74
CSCC[C@H](NC(=O)CN1CCCCCC1=O)C1=N[N-]N=N1	REAL300020160962	0	43	-1.0	-47.81	358.83	3.85	-43.96
CSCC[C@H](NC(=O)CN1CCCCCC1=O)C1=NN=N[N-]1	REAL300020160962	1	43	-1.0	-47.77	358.89	3.87	-43.90
CCC1=CC=CC=C1N1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1=O	REAL300020160963	0	50	-1.0	-60.28	420.61	6.81	-53.47
CCC1=CC=CC=C1N1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1=O	REAL300020160963	1	50	-1.0	-60.28	420.67	6.82	-53.46
CSCC[C@H](NC(=O)CSCC(=O)NC1=NOC(C)=C1)C1=N[N-]N=N1	REAL300020160964	0	43	-1.0	-56.35	396.26	3.58	-52.77
CSCC[C@H](NC(=O)CSCC(=O)NC1=NOC(C)=C1)C1=NN=N[N-]1	REAL300020160964	1	43	-1.0	-56.34	396.31	3.60	-52.74
CCC1=C(C)SC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020160965	0	39	-1.0	-46.08	350.36	5.16	-40.92
CCC1=C(C)SC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020160965	1	39	-1.0	-46.15	350.42	5.17	-40.98
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020160966	0	39	-1.0	-52.05	367.95	2.01	-50.04
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020160966	1	39	-1.0	-52.06	368.00	2.02	-50.04
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C1=N[N-]N=N1	REAL300020160967	0	42	-1.0	-50.03	374.27	2.29	-47.74
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C1=NN=N[N-]1	REAL300020160967	1	42	-1.0	-50.06	374.33	2.30	-47.76
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020160968	0	42	-1.0	-53.54	378.98	-0.41	-53.95
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020160968	1	42	-1.0	-53.52	379.03	-0.40	-53.92
CCN1N=NC2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C21	REAL300020160969	0	41	-1.0	-51.32	363.32	3.44	-47.88
CCN1N=NC2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C21	REAL300020160969	1	41	-1.0	-51.33	363.26	3.42	-47.91
CSCC[C@H](NC(=O)C(NC(C)=O)C(C)C)C1=N[N-]N=N1	REAL300020160970	0	42	-1.0	-42.47	351.09	1.77	-40.70
CSCC[C@H](NC(=O)C(NC(C)=O)C(C)C)C1=NN=N[N-]1	REAL300020160970	1	42	-1.0	-42.46	351.15	1.77	-40.69
CSCC[C@H](NC(=O)C(C)SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020160971	0	40	-1.0	-48.10	364.72	5.95	-42.15
CSCC[C@H](NC(=O)C(C)SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020160971	1	40	-1.0	-48.13	364.78	5.97	-42.16
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020160972	0	43	-1.0	-50.98	377.77	5.36	-45.62
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020160972	1	43	-1.0	-50.99	377.83	5.37	-45.62
CSCC[C@H](NC(=O)CSCC(=O)NC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020160973	0	47	-1.0	-58.38	421.60	5.07	-53.31
CSCC[C@H](NC(=O)CSCC(=O)NC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020160973	1	47	-1.0	-58.37	421.66	5.09	-53.28
CSCC[C@H](NC(=O)C1=CC=C(CSC)O1)C1=N[N-]N=N1	REAL300020160974	0	37	-1.0	-47.20	348.40	4.15	-43.05
CSCC[C@H](NC(=O)C1=CC=C(CSC)O1)C1=NN=N[N-]1	REAL300020160974	1	37	-1.0	-47.20	348.45	4.16	-43.04
CSCC[C@H](NC(=O)C1=CC=C(COC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020160975	0	44	-1.0	-48.12	393.55	5.54	-42.58
CSCC[C@H](NC(=O)C1=CC=C(COC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020160975	1	44	-1.0	-48.14	393.60	5.56	-42.58
CSCC[C@H](NC(=O)CSC(C)C(=O)NC1=NOC(C)=C1)C1=N[N-]N=N1	REAL300020160976	0	46	-1.0	-55.74	414.81	4.14	-51.60
CSCC[C@H](NC(=O)CSC(C)C(=O)NC1=NOC(C)=C1)C1=NN=N[N-]1	REAL300020160976	1	46	-1.0	-55.75	414.87	4.15	-51.60
CSCC[C@H](NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300020160977	0	40	-2.0	-103.72	365.34	1.16	-102.56
CSCC[C@H](NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300020160977	1	40	-2.0	-103.72	365.40	1.18	-102.54
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020160978	0	41	-1.0	-50.41	382.66	0.54	-49.87
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020160978	1	41	-1.0	-50.39	382.72	0.56	-49.83
CSCC[C@H](NC(=O)C(NC(=O)C1=CC=CC=C1C)C(C)C)C1=N[N-]N=N1	REAL300020160979	0	52	-1.0	-45.97	423.55	5.60	-40.37
CSCC[C@H](NC(=O)C(NC(=O)C1=CC=CC=C1C)C(C)C)C1=NN=N[N-]1	REAL300020160979	1	52	-1.0	-45.99	423.61	5.62	-40.37
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020160980	0	41	-1.0	-52.78	374.58	0.23	-52.55
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020160980	1	41	-1.0	-52.75	374.64	0.24	-52.51
CSCC[C@H](NC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020160981	0	42	-1.0	-53.94	387.29	5.82	-48.12
CSCC[C@H](NC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020160981	1	42	-1.0	-53.89	387.23	5.80	-48.09
CCC1=CC=C(C(=O)CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020160982	0	47	-1.0	-45.11	406.67	6.83	-38.28
CCC1=CC=C(C(=O)CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020160982	1	47	-1.0	-45.13	406.72	6.85	-38.28
CSCC[C@H](NC(=O)CSC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020160983	0	37	-1.0	-46.93	340.67	5.22	-41.71
CSCC[C@H](NC(=O)CSC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020160983	1	37	-1.0	-46.94	340.73	5.24	-41.70
COC1=CC=CC=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020160984	0	40	-1.0	-49.72	350.47	4.12	-45.60
COC1=CC=CC=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020160984	1	40	-1.0	-49.72	350.53	4.13	-45.59
CSCC[C@H](NC(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020160985	0	38	-1.0	-50.99	341.66	5.26	-45.73
CSCC[C@H](NC(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020160985	1	38	-1.0	-51.04	341.72	5.27	-45.77
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1C	REAL300020160986	0	44	-1.0	-45.60	375.16	3.51	-42.09
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1C	REAL300020160986	1	44	-1.0	-45.62	375.21	3.52	-42.10
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020160987	0	45	-1.0	-55.25	406.81	3.87	-51.38
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020160987	1	45	-1.0	-55.28	406.87	3.89	-51.39
COC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020160988	0	47	-1.0	-47.67	402.31	4.76	-42.91
COC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020160988	1	47	-1.0	-47.71	402.36	4.78	-42.93
CSCC[C@H](NC(=O)CCNS(=O)(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020160989	0	41	-1.0	-50.07	390.23	0.11	-49.96
CSCC[C@H](NC(=O)CCNS(=O)(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020160989	1	41	-1.0	-50.05	390.29	0.13	-49.92
CSCC[C@H](NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C1=N[N-]N=N1	REAL300020160990	0	51	-1.0	-53.41	418.29	3.59	-49.82
CSCC[C@H](NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C1=NN=N[N-]1	REAL300020160990	1	51	-1.0	-53.43	418.35	3.60	-49.83
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020160991	0	43	-1.0	-49.52	369.13	5.95	-43.57
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020160991	1	43	-1.0	-49.53	369.19	5.96	-43.57
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020160992	0	43	-1.0	-49.77	369.91	5.90	-43.87
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020160992	1	43	-1.0	-49.75	369.97	5.91	-43.84
CNC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020160993	0	40	-1.0	-51.50	355.23	3.76	-47.74
CNC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020160993	1	40	-1.0	-51.52	355.29	3.78	-47.74
CSCC[C@H](NC(=O)C=CC1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020160994	0	46	-1.0	-46.14	392.21	7.19	-38.95
CSCC[C@H](NC(=O)C=CC1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020160994	1	46	-1.0	-46.12	392.27	7.21	-38.91
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL300020160995	0	44	-1.0	-51.63	384.62	4.58	-47.05
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL300020160995	1	44	-1.0	-51.62	384.68	4.59	-47.03
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC=C1C)C1=N[N-]N=N1	REAL300020160996	0	41	-1.0	-48.88	367.75	-0.28	-49.16
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC=C1C)C1=NN=N[N-]1	REAL300020160996	1	41	-1.0	-48.88	367.81	-0.27	-49.15
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC=C1F)C1=N[N-]N=N1	REAL300020160997	0	38	-1.0	-52.31	356.29	-0.89	-53.20
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC=C1F)C1=NN=N[N-]1	REAL300020160997	1	38	-1.0	-52.37	356.35	-0.88	-53.25
CSCC[C@H](NC(=O)CN1C(=O)CNC1=O)C1=N[N-]N=N1	REAL300020160998	0	35	-1.0	-55.60	322.53	-0.71	-56.31
CSCC[C@H](NC(=O)CN1C(=O)CNC1=O)C1=NN=N[N-]1	REAL300020160998	1	35	-1.0	-55.64	322.58	-0.69	-56.33
CCCOC1=C(Cl)C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020160999	0	47	-1.0	-43.21	419.49	5.70	-37.51
CCCOC1=C(Cl)C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020160999	1	47	-1.0	-43.21	419.55	5.72	-37.49
CSCC[C@H](NC(=O)C=CC1=CC=C(Br)S1)C1=N[N-]N=N1	REAL300020161000	0	34	-1.0	-44.15	343.94	5.11	-39.04
CSCC[C@H](NC(=O)C=CC1=CC=C(Br)S1)C1=NN=N[N-]1	REAL300020161000	1	34	-1.0	-44.18	344.00	5.13	-39.05
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020161001	0	41	-1.0	-52.20	382.66	0.54	-51.66
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020161001	1	41	-1.0	-52.25	382.72	0.56	-51.69
CSCC[C@H](NC(=O)CCCC1=CC=CS1)C1=N[N-]N=N1	REAL300020161002	0	39	-1.0	-46.85	355.28	5.44	-41.41
CSCC[C@H](NC(=O)CCCC1=CC=CS1)C1=NN=N[N-]1	REAL300020161002	1	39	-1.0	-46.83	355.34	5.46	-41.37
CSCC[C@H](NC(=O)CN1C=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020161003	0	36	-1.0	-51.65	343.78	3.19	-48.46
CSCC[C@H](NC(=O)CN1C=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020161003	1	36	-1.0	-51.65	343.72	3.18	-48.47
CSCC[C@H](NC(=O)C1=CC=C(N2C(C)=CC=C2C)C=C1)C1=N[N-]N=N1	REAL300020161004	0	47	-1.0	-44.85	405.49	8.14	-36.71
CSCC[C@H](NC(=O)C1=CC=C(N2C(C)=CC=C2C)C=C1)C1=NN=N[N-]1	REAL300020161004	1	47	-1.0	-44.86	405.55	8.15	-36.71
COC1=CC=CC=C1CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161005	0	43	-1.0	-47.05	371.87	4.92	-42.13
COC1=CC=CC=C1CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161005	1	43	-1.0	-47.07	371.93	4.94	-42.13
CCC1=CC=C(N2CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CC2=O)C=C1	REAL300020161006	0	50	-1.0	-45.78	419.70	6.46	-39.32
CCC1=CC=C(N2CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CC2=O)C=C1	REAL300020161006	1	50	-1.0	-45.76	419.75	6.47	-39.29
CSCC[C@H](NC(=O)C1=CC=C(CO)C=C1)C1=N[N-]N=N1	REAL300020161007	0	37	-1.0	-49.10	330.34	1.41	-47.69
CSCC[C@H](NC(=O)C1=CC=C(CO)C=C1)C1=NN=N[N-]1	REAL300020161007	1	37	-1.0	-49.06	330.40	1.42	-47.64
CSCC[C@H](NC(=O)COC(C1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161008	0	50	-1.0	-53.26	435.02	8.95	-44.31
CSCC[C@H](NC(=O)COC(C1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161008	1	50	-1.0	-53.26	435.07	8.96	-44.30
CSCC[C@H](NC(=O)CSCC1=CC=CS1)C1=N[N-]N=N1	REAL300020161009	0	37	-1.0	-47.86	356.81	5.21	-42.65
CSCC[C@H](NC(=O)CSCC1=CC=CS1)C1=NN=N[N-]1	REAL300020161009	1	37	-1.0	-47.85	356.87	5.22	-42.63
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(C)=C2)C(=O)CC1)C1=N[N-]N=N1	REAL300020161010	0	47	-1.0	-44.23	408.23	5.40	-38.83
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(C)=C2)C(=O)CC1)C1=NN=N[N-]1	REAL300020161010	1	47	-1.0	-44.24	408.29	5.42	-38.82
CSCC[C@H](NC(=O)C=CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020161011	0	37	-1.0	-45.07	353.36	5.89	-39.18
CSCC[C@H](NC(=O)C=CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020161011	1	37	-1.0	-45.05	353.41	5.91	-39.14
CSCC[C@H](NC(=O)CCSC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161012	0	40	-1.0	-44.42	368.75	6.09	-38.33
CSCC[C@H](NC(=O)CCSC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161012	1	40	-1.0	-44.41	368.81	6.11	-38.30
CSCC[C@H](NC(=O)CSC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020161013	0	40	-1.0	-46.92	362.08	5.89	-41.03
CSCC[C@H](NC(=O)CSC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020161013	1	40	-1.0	-46.92	362.14	5.90	-41.02
CSCC[C@H](NC(=O)CSC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300020161014	0	43	-1.0	-46.76	380.58	6.46	-40.30
CSCC[C@H](NC(=O)CSC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300020161014	1	43	-1.0	-46.80	380.64	6.48	-40.32
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2=O)NC1=O)C1=N[N-]N=N1	REAL300020161015	0	42	-1.0	-64.27	365.35	2.84	-61.43
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2=O)NC1=O)C1=NN=N[N-]1	REAL300020161015	1	42	-1.0	-64.25	365.40	2.86	-61.39
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=C(C)C=C2C1=O)C1=N[N-]N=N1	REAL300020161016	0	43	-1.0	-55.49	388.75	4.62	-50.87
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=C(C)C=C2C1=O)C1=NN=N[N-]1	REAL300020161016	1	43	-1.0	-55.47	388.81	4.64	-50.83
CSCC[C@H](NC(=O)C1=C(N2C=NN=N2)C=CS1)C1=NN=N[N-]1	REAL300020161017	0	35	-1.0	-59.97	331.40	3.65	-56.32
CSCC[C@H](NC(=O)C1=C(N2C=NN=N2)C=CS1)C1=N[N-]N=N1	REAL300020161017	1	35	-1.0	-59.94	331.34	3.64	-56.30
CSCC[C@H](NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1C)C1=N[N-]N=N1	REAL300020161018	0	47	-1.0	-51.02	409.16	2.76	-48.26
CSCC[C@H](NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1C)C1=NN=N[N-]1	REAL300020161018	1	47	-1.0	-51.06	409.22	2.77	-48.29
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161019	0	45	-1.0	-52.21	407.96	1.64	-50.57
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161019	1	45	-1.0	-52.22	408.02	1.65	-50.57
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020161020	0	38	-1.0	-49.57	351.66	-0.96	-50.53
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020161020	1	38	-1.0	-49.58	351.72	-0.95	-50.53
CCNS(=O)(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161021	0	44	-1.0	-52.37	395.16	1.09	-51.28
CCNS(=O)(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161021	1	44	-1.0	-52.40	395.21	1.11	-51.29
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)NC(C)C)C=C1)C1=N[N-]N=N1	REAL300020161022	0	47	-1.0	-48.23	412.38	1.68	-46.55
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)NC(C)C)C=C1)C1=NN=N[N-]1	REAL300020161022	1	47	-1.0	-48.24	412.44	1.70	-46.54
COC1=CC=C(S(=O)(=O)CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161023	0	46	-1.0	-50.84	412.30	1.89	-48.95
COC1=CC=C(S(=O)(=O)CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161023	1	46	-1.0	-50.82	412.36	1.90	-48.92
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020161024	0	41	-1.0	-49.78	368.52	5.67	-44.11
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020161024	1	41	-1.0	-49.79	368.58	5.68	-44.11
CCOC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020161025	0	44	-1.0	-44.91	402.32	6.34	-38.57
CCOC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020161025	1	44	-1.0	-44.85	402.38	6.35	-38.50
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300020161026	0	51	-1.0	-45.50	426.52	7.88	-37.62
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300020161026	1	51	-1.0	-45.49	426.57	7.90	-37.59
CSCC[C@H](NC(=O)CN1C(=O)C2=C(N=CN2C)N(C)C1=O)C1=N[N-]N=N1	REAL300020161027	0	45	-1.0	-58.40	396.04	5.09	-53.31
CSCC[C@H](NC(=O)CN1C(=O)C2=C(N=CN2C)N(C)C1=O)C1=NN=N[N-]1	REAL300020161027	1	45	-1.0	-58.41	396.10	5.11	-53.30
CSCC[C@H](NC(=O)C(C)OC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161028	0	40	-1.0	-48.08	354.14	5.33	-42.75
CSCC[C@H](NC(=O)C(C)OC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161028	1	40	-1.0	-48.04	354.20	5.34	-42.70
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL300020161029	0	48	-1.0	-45.80	409.32	7.30	-38.50
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL300020161029	1	48	-1.0	-45.80	409.38	7.32	-38.48
CSCC[C@H](NC(=O)C1=CC2=NC=CN=C2C=C1)C1=NN=N[N-]1	REAL300020161030	0	37	-1.0	-50.66	333.61	2.56	-48.10
CSCC[C@H](NC(=O)C1=CC2=NC=CN=C2C=C1)C1=N[N-]N=N1	REAL300020161030	1	37	-1.0	-50.64	333.55	2.54	-48.10
CSCC[C@H](NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020161031	0	40	-1.0	-45.27	370.76	6.28	-38.99
CSCC[C@H](NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020161031	1	40	-1.0	-45.27	370.82	6.29	-38.98
CCC1(CC)NC(=O)N(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1=O	REAL300020161032	0	47	-1.0	-53.68	399.20	2.62	-51.06
CCC1(CC)NC(=O)N(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1=O	REAL300020161032	1	47	-1.0	-53.68	399.26	2.64	-51.04
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(Cl)=C1O	REAL300020161033	0	41	-1.0	-43.75	375.56	2.70	-41.05
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(Cl)=C1O	REAL300020161033	1	41	-1.0	-43.79	375.62	2.72	-41.07
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300020161033	1	40	-2.0	-92.83	372.00	3.63	-89.20
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300020161033	1	40	-2.0	-92.85	372.05	3.64	-89.21
CSCCC(NC(=O)C1=CC=CO1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161034	0	47	-1.0	-46.08	418.68	3.29	-42.79
CSCCC(NC(=O)C1=CC=CO1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161034	1	47	-1.0	-46.10	418.74	3.31	-42.79
CSCC[C@H](NC(=O)CSCC(=O)N1CCOCC1)C1=N[N-]N=N1	REAL300020161035	0	45	-1.0	-57.24	394.98	2.29	-54.95
CSCC[C@H](NC(=O)CSCC(=O)N1CCOCC1)C1=NN=N[N-]1	REAL300020161035	1	45	-1.0	-57.25	395.04	2.30	-54.95
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020161036	0	52	-1.0	-49.09	423.90	7.59	-41.50
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020161036	1	52	-1.0	-49.09	423.95	7.61	-41.48
CSCC[C@H](NC(=O)C(C)NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020161037	0	45	-1.0	-45.47	404.26	4.09	-41.38
CSCC[C@H](NC(=O)C(C)NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020161037	1	45	-1.0	-45.51	404.32	4.10	-41.41
CSCC[C@H](NC(=O)C(C)NC(=O)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020161038	0	46	-1.0	-47.42	397.47	4.09	-43.33
CSCC[C@H](NC(=O)C(C)NC(=O)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020161038	1	46	-1.0	-47.44	397.53	4.11	-43.33
CSCC[C@H](NC(=O)CCOC1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL300020161039	0	46	-1.0	-46.10	393.51	5.81	-40.29
CSCC[C@H](NC(=O)CCOC1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL300020161039	1	46	-1.0	-46.10	393.57	5.83	-40.27
COC1=CC=C(OCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161040	0	44	-1.0	-45.78	381.53	3.67	-42.11
COC1=CC=C(OCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161040	1	44	-1.0	-45.76	381.58	3.69	-42.07
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020161041	0	43	-1.0	-45.85	372.10	5.13	-40.72
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020161041	1	43	-1.0	-45.85	372.16	5.15	-40.70
CSCC[C@H](NC(=O)COC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020161042	0	37	-1.0	-53.68	337.30	4.72	-48.96
CSCC[C@H](NC(=O)COC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020161042	1	37	-1.0	-53.72	337.36	4.74	-48.98
CSCC[C@H](NC(=O)COC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020161043	0	37	-1.0	-47.47	352.37	5.26	-42.21
CSCC[C@H](NC(=O)COC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020161043	1	37	-1.0	-47.47	352.42	5.28	-42.19
CSCC[C@H](NC(=O)COC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020161044	0	47	-1.0	-50.05	405.24	8.05	-42.00
CSCC[C@H](NC(=O)COC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020161044	1	47	-1.0	-50.04	405.29	8.07	-41.97
CCNS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161045	0	44	-1.0	-48.43	395.13	1.10	-47.33
CCNS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161045	1	44	-1.0	-48.43	395.18	1.12	-47.31
C=CCNS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161046	0	45	-1.0	-48.32	407.93	1.65	-46.67
C=CCNS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161046	1	45	-1.0	-48.30	407.99	1.66	-46.64
CSCC[C@H](NC(=O)CC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020161047	0	42	-1.0	-49.42	368.28	7.02	-42.40
CSCC[C@H](NC(=O)CC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020161047	1	42	-1.0	-49.41	368.33	7.03	-42.38
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(SC)C=C1)C1=N[N-]N=N1	REAL300020161048	0	45	-1.0	-45.18	402.68	6.37	-38.81
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(SC)C=C1)C1=NN=N[N-]1	REAL300020161048	1	45	-1.0	-45.22	402.73	6.39	-38.83
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020161049	0	40	-1.0	-46.56	349.60	5.81	-40.75
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020161049	1	40	-1.0	-46.53	349.66	5.82	-40.71
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020161050	0	37	-1.0	-45.04	354.64	5.84	-39.20
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020161050	1	37	-1.0	-45.04	354.70	5.85	-39.19
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020161051	0	40	-1.0	-49.40	365.24	5.74	-43.66
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020161051	1	40	-1.0	-49.43	365.29	5.76	-43.67
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300020161052	0	37	-1.0	-48.55	350.34	5.78	-42.77
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300020161052	1	37	-1.0	-48.51	350.40	5.80	-42.71
CSCC[C@H](NC(=O)C=CC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020161053	0	40	-1.0	-46.54	353.48	5.94	-40.60
CSCC[C@H](NC(=O)C=CC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020161053	1	40	-1.0	-46.53	353.53	5.96	-40.57
CSCC[C@H](NC(=O)C=CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020161054	0	38	-1.0	-47.35	352.80	5.68	-41.67
CSCC[C@H](NC(=O)C=CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020161054	1	38	-1.0	-47.36	352.86	5.69	-41.67
CSCC[C@H](NC(=O)C=CC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020161055	0	37	-1.0	-47.43	362.91	6.19	-41.24
CSCC[C@H](NC(=O)C=CC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020161055	1	37	-1.0	-47.43	362.96	6.20	-41.23
CSCC[C@H](NC(=O)CN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL300020161056	0	36	-1.0	-54.56	327.87	1.83	-52.73
CSCC[C@H](NC(=O)CN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL300020161056	1	36	-1.0	-54.56	327.93	1.84	-52.72
CSCC[C@H](NC(=O)C1=C(C)N(C)C(C)=C1)C1=N[N-]N=N1	REAL300020161057	0	40	-1.0	-49.77	342.79	4.65	-45.12
CSCC[C@H](NC(=O)C1=C(C)N(C)C(C)=C1)C1=NN=N[N-]1	REAL300020161057	1	40	-1.0	-49.78	342.85	4.66	-45.12
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300020161058	0	46	-1.0	-49.61	374.84	5.79	-43.82
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300020161058	1	46	-1.0	-49.62	374.90	5.80	-43.82
CSCC[C@H](NC(=O)C1CCN(C(N)=O)CC1)C1=N[N-]N=N1	REAL300020161059	0	42	-1.0	-52.77	350.77	0.58	-52.19
CSCC[C@H](NC(=O)C1CCN(C(N)=O)CC1)C1=NN=N[N-]1	REAL300020161059	1	42	-1.0	-52.78	350.83	0.59	-52.19
CCOC(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020161060	0	47	-1.0	-47.58	393.00	3.93	-43.65
CCOC(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020161060	1	47	-1.0	-47.53	393.06	3.95	-43.58
CSCC[C@H](NC(=O)COC1=CC=CC=C1C(C)C)C1=N[N-]N=N1	REAL300020161061	0	46	-1.0	-49.58	389.69	6.62	-42.96
CSCC[C@H](NC(=O)COC1=CC=CC=C1C(C)C)C1=NN=N[N-]1	REAL300020161061	1	46	-1.0	-49.60	389.75	6.64	-42.96
CCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OCC	REAL300020161062	0	53	-1.0	-47.68	442.85	6.72	-40.96
CCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OCC	REAL300020161062	1	53	-1.0	-47.67	442.91	6.74	-40.93
CSCC[C@H](NC(=O)CC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300020161063	0	42	-1.0	-47.56	360.57	5.96	-41.60
CSCC[C@H](NC(=O)CC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300020161063	1	42	-1.0	-47.52	360.63	5.98	-41.54
CSCC[C@H](NC(=O)C=CC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020161064	0	39	-1.0	-47.19	366.99	5.00	-42.19
CSCC[C@H](NC(=O)C=CC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020161064	1	39	-1.0	-47.19	367.05	5.02	-42.17
CSCC[C@H](NC(=O)C=CC1=NC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020161065	0	42	-1.0	-48.93	375.85	5.91	-43.02
CSCC[C@H](NC(=O)C=CC1=NC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020161065	1	42	-1.0	-48.92	375.90	5.92	-43.00
CSCC[C@H](NC(=O)COC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL300020161066	0	43	-1.0	-48.87	372.82	6.12	-42.75
CSCC[C@H](NC(=O)COC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL300020161066	1	43	-1.0	-48.92	372.88	6.13	-42.79
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL300020161067	0	40	-1.0	-53.82	362.86	1.22	-52.60
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL300020161067	1	40	-1.0	-53.87	362.92	1.23	-52.64
CSCC[C@H](NC(=O)CNC(=O)CC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161068	0	49	-1.0	-47.17	423.80	5.39	-41.78
CSCC[C@H](NC(=O)CNC(=O)CC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161068	1	49	-1.0	-47.12	423.85	5.40	-41.72
CSCC[C@H](NC(=O)CCNS(=O)(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161069	0	44	-1.0	-49.91	398.30	1.11	-48.80
CSCC[C@H](NC(=O)CCNS(=O)(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161069	1	44	-1.0	-49.95	398.36	1.12	-48.83
CSCC[C@H](NC(=O)COC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020161070	0	37	-1.0	-50.31	367.08	5.86	-44.45
CSCC[C@H](NC(=O)COC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020161070	1	37	-1.0	-50.36	367.13	5.87	-44.49
CSCC[C@H](NC(=O)COC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020161071	0	38	-1.0	-49.65	351.90	5.05	-44.60
CSCC[C@H](NC(=O)COC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020161071	1	38	-1.0	-49.65	351.96	5.06	-44.59
CCCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020161072	0	51	-1.0	-48.56	434.04	6.21	-42.35
CCCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020161072	1	51	-1.0	-48.62	434.10	6.22	-42.40
CSCC[C@H](NC(=O)CCC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020161073	0	39	-1.0	-47.54	356.22	5.94	-41.60
CSCC[C@H](NC(=O)CCC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020161073	1	39	-1.0	-47.53	356.28	5.95	-41.58
CSCC[C@H](NC(=O)CCC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300020161074	0	39	-1.0	-44.04	364.85	6.18	-37.86
CSCC[C@H](NC(=O)CCC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300020161074	1	39	-1.0	-44.02	364.91	6.20	-37.82
CSCC[C@H](NC(=O)CC1=CSC(C)=N1)C1=N[N-]N=N1	REAL300020161075	0	35	-1.0	-48.82	327.59	2.63	-46.19
CSCC[C@H](NC(=O)CC1=CSC(C)=N1)C1=NN=N[N-]1	REAL300020161075	1	35	-1.0	-48.82	327.65	2.65	-46.17
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(Cl)=C1OC	REAL300020161076	0	45	-1.0	-46.57	410.68	5.14	-41.43
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020161076	1	45	-1.0	-46.58	410.74	5.15	-41.43
CSCC[C@H](NC(=O)C1=CC=C(C2SCCS2)C=C1)C1=N[N-]N=N1	REAL300020161077	0	42	-1.0	-47.43	384.34	7.14	-40.29
CSCC[C@H](NC(=O)C1=CC=C(C2SCCS2)C=C1)C1=NN=N[N-]1	REAL300020161077	1	42	-1.0	-47.38	384.40	7.15	-40.23
CSCC[C@H](NC(=O)CSC(C)(C)C)C1=N[N-]N=N1	REAL300020161078	0	39	-1.0	-46.77	341.54	4.20	-42.57
CSCC[C@H](NC(=O)CSC(C)(C)C)C1=NN=N[N-]1	REAL300020161078	1	39	-1.0	-46.84	341.60	4.21	-42.63
CSCC[C@H](NC(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020161079	0	42	-1.0	-60.59	382.55	2.28	-58.31
CSCC[C@H](NC(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020161079	1	42	-1.0	-60.61	382.61	2.30	-58.31
CSCC[C@H](NC(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=NN=N[N-]1	REAL300020161080	0	38	-1.0	-59.60	345.84	4.27	-55.33
CSCC[C@H](NC(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=N[N-]N=N1	REAL300020161080	1	38	-1.0	-59.61	345.78	4.26	-55.35
CCN1C(=O)C(=O)NC2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C21	REAL300020161081	0	45	-1.0	-51.30	392.01	3.70	-47.60
CCN1C(=O)C(=O)NC2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C21	REAL300020161081	1	45	-1.0	-51.29	392.07	3.71	-47.58
CCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OCC	REAL300020161082	0	51	-1.0	-48.84	434.40	6.33	-42.51
CCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OCC	REAL300020161082	1	51	-1.0	-48.84	434.46	6.34	-42.50
COC1=CC(C=O)=CC=C1OCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161083	0	43	-1.0	-57.99	383.47	4.14	-53.85
COC1=CC(C=O)=CC=C1OCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161083	1	43	-1.0	-57.98	383.53	4.16	-53.82
CSCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)NC(C)C)=C1)C1=N[N-]N=N1	REAL300020161084	0	47	-1.0	-52.31	414.37	1.74	-50.57
CSCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)NC(C)C)=C1)C1=NN=N[N-]1	REAL300020161084	1	47	-1.0	-52.29	414.42	1.75	-50.54
CSCC[C@H](NC(=O)CSCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020161085	0	40	-1.0	-48.84	383.32	6.64	-42.20
CSCC[C@H](NC(=O)CSCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020161085	1	40	-1.0	-48.86	383.37	6.66	-42.20
CSCC[C@H](NC(=O)CSCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020161086	0	40	-1.0	-47.78	383.31	6.65	-41.13
CSCC[C@H](NC(=O)CSCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020161086	1	40	-1.0	-47.77	383.37	6.67	-41.10
CSCC[C@H](NC(=O)C1=CC=C(CSC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020161087	0	47	-1.0	-48.63	419.12	8.98	-39.65
CSCC[C@H](NC(=O)C1=CC=C(CSC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020161087	1	47	-1.0	-48.65	419.18	9.00	-39.65
CSCC[C@H](NC(=O)CCC(=O)C1=C(C)SC(C)=C1)C1=N[N-]N=N1	REAL300020161088	0	44	-1.0	-44.92	395.19	6.00	-38.92
CSCC[C@H](NC(=O)CCC(=O)C1=C(C)SC(C)=C1)C1=NN=N[N-]1	REAL300020161088	1	44	-1.0	-44.94	395.25	6.01	-38.93
CSCC[C@H](NC(=O)CCCN1C(=O)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161089	0	45	-1.0	-59.53	398.15	5.85	-53.68
CSCC[C@H](NC(=O)CCCN1C(=O)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161089	1	45	-1.0	-59.54	398.20	5.87	-53.67
CSCC[C@H](NC(=O)CN1C(=O)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161090	0	39	-1.0	-50.53	355.62	4.67	-45.86
CSCC[C@H](NC(=O)CN1C(=O)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161090	1	39	-1.0	-50.50	355.68	4.68	-45.82
CSCC[C@H](NC(=O)COC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161091	0	37	-1.0	-47.87	337.48	4.71	-43.16
CSCC[C@H](NC(=O)COC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161091	1	37	-1.0	-47.92	337.54	4.72	-43.20
CSCC[C@H](NC(=O)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020161092	0	44	-1.0	-50.94	386.26	5.42	-45.52
CSCC[C@H](NC(=O)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020161092	1	44	-1.0	-50.95	386.32	5.44	-45.51
CSCC[C@H](NC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020161093	0	46	-1.0	-55.88	409.89	5.16	-50.72
CSCC[C@H](NC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020161093	1	46	-1.0	-55.86	409.95	5.17	-50.69
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020161094	0	40	-1.0	-44.37	373.24	3.09	-41.28
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020161094	1	40	-1.0	-44.39	373.29	3.10	-41.29
CSCC[C@H](NC(=O)C(C)SC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020161095	0	40	-1.0	-44.74	381.17	6.45	-38.29
CSCC[C@H](NC(=O)C(C)SC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020161095	1	40	-1.0	-44.69	381.23	6.47	-38.22
CSCC[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1=N[N-]N=N1	REAL300020161096	0	45	-1.0	-53.04	387.45	1.92	-51.12
CSCC[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1=NN=N[N-]1	REAL300020161096	1	45	-1.0	-53.06	387.50	1.94	-51.12
CSCC[C@H](NC(=O)CSC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161097	0	37	-1.0	-45.70	347.08	5.28	-40.42
CSCC[C@H](NC(=O)CSC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161097	1	37	-1.0	-45.68	347.13	5.29	-40.39
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])S1)C1=N[N-]N=N1	REAL300020161098	0	32	-1.0	-41.66	319.53	3.92	-37.74
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])S1)C1=NN=N[N-]1	REAL300020161098	1	32	-1.0	-41.67	319.58	3.94	-37.73
CSCC[C@H](NC(=O)C1COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020161099	0	39	-1.0	-49.48	345.22	4.18	-45.30
CSCC[C@H](NC(=O)C1COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020161099	1	39	-1.0	-49.49	345.27	4.20	-45.29
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020161100	0	42	-1.0	-47.20	384.70	3.24	-43.96
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020161100	1	42	-1.0	-47.20	384.76	3.26	-43.94
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL300020161101	0	44	-1.0	-48.29	393.80	2.04	-46.25
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL300020161101	1	44	-1.0	-48.31	393.85	2.05	-46.26
CCOC1=CC=CC=C1OCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161102	0	44	-1.0	-54.01	382.18	5.33	-48.68
CCOC1=CC=CC=C1OCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161102	1	44	-1.0	-54.02	382.23	5.34	-48.68
CCC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161103	0	43	-1.0	-48.95	373.96	6.08	-42.87
CCC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161103	1	43	-1.0	-48.96	374.02	6.10	-42.86
CSCC[C@H](NC(=O)COC1=CC=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300020161104	0	40	-1.0	-47.79	366.53	5.76	-42.03
CSCC[C@H](NC(=O)COC1=CC=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300020161104	1	40	-1.0	-47.82	366.58	5.77	-42.05
CSCC[C@H](NC(=O)COC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL300020161105	0	38	-1.0	-58.01	351.34	5.05	-52.96
CSCC[C@H](NC(=O)COC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL300020161105	1	38	-1.0	-57.97	351.39	5.06	-52.91
COC1=CC=CC2=C1OC(=O)C(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)=C2	REAL300020161106	0	42	-1.0	-54.75	373.62	5.24	-49.51
COC1=CC=CC2=C1OC(=O)C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)=C2	REAL300020161106	1	42	-1.0	-54.75	373.68	5.25	-49.50
CNS(=O)(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161107	0	41	-1.0	-52.63	374.12	0.24	-52.39
CNS(=O)(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161107	1	41	-1.0	-52.69	374.17	0.25	-52.44
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)NC(N)=O)C1=N[N-]N=N1	REAL300020161108	0	45	-1.0	-51.87	386.25	2.10	-49.77
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)NC(N)=O)C1=NN=N[N-]1	REAL300020161108	1	45	-1.0	-51.89	386.31	2.11	-49.78
CSCC[C@H](NC(=O)COC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020161109	0	37	-1.0	-49.52	347.81	5.17	-44.35
CSCC[C@H](NC(=O)COC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020161109	1	37	-1.0	-49.47	347.87	5.18	-44.29
C=CCC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020161110	0	48	-1.0	-53.35	416.02	6.40	-46.95
C=CCC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020161110	1	48	-1.0	-53.37	416.08	6.41	-46.96
CSCC[C@H](NC(=O)CCC1NC(=O)NC1=O)C1=N[N-]N=N1	REAL300020161111	0	38	-1.0	-51.86	341.49	-1.98	-53.84
CSCC[C@H](NC(=O)CCC1NC(=O)NC1=O)C1=NN=N[N-]1	REAL300020161111	1	38	-1.0	-51.90	341.55	-1.97	-53.87
CSCC[C@H](NC(=O)CSC(C)C1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020161112	0	46	-1.0	-56.52	411.09	5.25	-51.27
CSCC[C@H](NC(=O)CSC(C)C1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020161112	1	46	-1.0	-56.54	411.15	5.26	-51.28
CSCC[C@H](NC(=O)C=CC1=CN(CCC#N)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020161113	0	48	-1.0	-56.36	429.75	8.47	-47.89
CSCC[C@H](NC(=O)C=CC1=CN(CCC#N)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020161113	1	48	-1.0	-56.39	429.81	8.49	-47.90
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300020161114	0	39	-1.0	-51.20	370.73	2.12	-49.08
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300020161114	1	39	-1.0	-51.23	370.79	2.14	-49.09
CSCC[C@H](NC(=O)C1CCN(C(C)=O)CC1)C1=N[N-]N=N1	REAL300020161115	0	43	-1.0	-48.09	357.66	3.11	-44.98
CSCC[C@H](NC(=O)C1CCN(C(C)=O)CC1)C1=NN=N[N-]1	REAL300020161115	1	43	-1.0	-48.07	357.72	3.13	-44.94
COC1=CC(OC)=C(OC)C=C1C=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161116	0	49	-1.0	-51.71	418.34	3.87	-47.84
COC1=CC(OC)=C(OC)C=C1C=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161116	1	49	-1.0	-51.70	418.39	3.89	-47.81
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161117	0	47	-1.0	-47.07	411.22	1.78	-45.29
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161117	1	47	-1.0	-47.05	411.28	1.80	-45.25
CSCC[C@H](NC(=O)C(C)N1C(=O)C2CCCCC2C1=O)C1=N[N-]N=N1	REAL300020161118	0	49	-1.0	-53.57	403.56	5.59	-47.98
CSCC[C@H](NC(=O)C(C)N1C(=O)C2CCCCC2C1=O)C1=NN=N[N-]1	REAL300020161118	1	49	-1.0	-53.62	403.62	5.61	-48.01
CSCC[C@H](NC(=O)COC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020161119	0	40	-1.0	-49.17	352.48	5.32	-43.85
CSCC[C@H](NC(=O)COC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020161119	1	40	-1.0	-49.17	352.54	5.33	-43.84
CSCC[C@H](NC(=O)C1=NN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL300020161120	0	35	-1.0	-43.25	320.03	1.19	-42.06
CSCC[C@H](NC(=O)C1=NN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL300020161120	1	35	-1.0	-43.23	320.08	1.20	-42.03
CSCC[C@H](NC(=O)CSC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020161121	0	39	-1.0	-47.02	375.92	4.91	-42.11
CSCC[C@H](NC(=O)CSC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020161121	1	39	-1.0	-47.03	375.87	4.90	-42.13
CSCC[C@H](NC(=O)CC1=COC2=CC(C)=C(C(C)C)C=C12)C1=N[N-]N=N1	REAL300020161122	0	51	-1.0	-52.63	427.59	7.58	-45.05
CSCC[C@H](NC(=O)CC1=COC2=CC(C)=C(C(C)C)C=C12)C1=NN=N[N-]1	REAL300020161122	1	51	-1.0	-52.65	427.64	7.59	-45.06
CSCC[C@H](NC(=O)CC1=COC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL300020161123	0	42	-1.0	-51.33	371.45	5.80	-45.53
CSCC[C@H](NC(=O)CC1=COC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL300020161123	1	42	-1.0	-51.35	371.50	5.81	-45.54
CCC1=CC=C2C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=COC2=C1	REAL300020161124	0	45	-1.0	-51.27	392.93	6.56	-44.71
CCC1=CC=C2C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=COC2=C1	REAL300020161124	1	45	-1.0	-51.26	392.99	6.58	-44.68
CSCC[C@H](NC(=O)CC1=COC2=C1C1=C(C=CC=C1)C=C2)C1=N[N-]N=N1	REAL300020161125	0	45	-1.0	-53.98	391.46	7.21	-46.77
CSCC[C@H](NC(=O)CC1=COC2=C1C1=C(C=CC=C1)C=C2)C1=NN=N[N-]1	REAL300020161125	1	45	-1.0	-54.03	391.52	7.23	-46.80
CSCC[C@H](NC(=O)CC1=COC2=CC3=C(C=C12)CCC3)C1=N[N-]N=N1	REAL300020161126	0	46	-1.0	-52.98	395.62	7.03	-45.95
CSCC[C@H](NC(=O)CC1=COC2=CC3=C(C=C12)CCC3)C1=NN=N[N-]1	REAL300020161126	1	46	-1.0	-52.99	395.68	7.04	-45.95
CSCC[C@H](NC(=O)COC1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL300020161127	0	42	-1.0	-58.49	373.85	5.14	-53.35
CSCC[C@H](NC(=O)COC1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL300020161127	1	42	-1.0	-58.49	373.91	5.16	-53.33
CSCC[C@H](NC(=O)C1=CC=CC=C1SC)C1=N[N-]N=N1	REAL300020161128	0	37	-1.0	-49.54	333.25	5.10	-44.44
CSCC[C@H](NC(=O)C1=CC=CC=C1SC)C1=NN=N[N-]1	REAL300020161128	1	37	-1.0	-49.59	333.31	5.11	-44.48
CSCC[C@H](NC(=O)COC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020161129	0	39	-1.0	-49.38	359.27	5.31	-44.07
CSCC[C@H](NC(=O)COC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020161129	1	39	-1.0	-49.34	359.33	5.33	-44.01
CSCC[C@H](NC(=O)C(C)NC(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161130	0	45	-1.0	-48.38	390.84	2.67	-45.71
CSCC[C@H](NC(=O)C(C)NC(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161130	1	45	-1.0	-48.37	390.89	2.68	-45.69
CSCC[C@H](NC(=O)CC1=COC2=C(C)C(C)=CC=C12)C1=N[N-]N=N1	REAL300020161131	0	45	-1.0	-52.23	388.40	6.33	-45.90
CSCC[C@H](NC(=O)CC1=COC2=C(C)C(C)=CC=C12)C1=NN=N[N-]1	REAL300020161131	1	45	-1.0	-52.25	388.45	6.34	-45.91
CSCC[C@H](NC(=O)C=CC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020161132	0	43	-1.0	-49.19	376.54	4.42	-44.77
CSCC[C@H](NC(=O)C=CC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020161132	1	43	-1.0	-49.20	376.60	4.44	-44.76
CCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020161133	0	48	-1.0	-48.94	412.54	5.41	-43.53
CCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020161133	1	48	-1.0	-48.98	412.60	5.42	-43.56
CCOC1=C(Cl)C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020161134	0	44	-1.0	-43.34	397.99	4.90	-38.44
CCOC1=C(Cl)C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020161134	1	44	-1.0	-43.36	398.05	4.92	-38.44
CSCC[C@H](NC(=O)C1=CC=C(SC)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020161135	0	39	-1.0	-51.26	361.09	5.62	-45.64
CSCC[C@H](NC(=O)C1=CC=C(SC)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020161135	1	39	-1.0	-51.25	361.15	5.63	-45.62
CSCC[C@H](NC(=O)C1=CC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020161136	0	38	-1.0	-57.58	336.69	4.91	-52.67
CSCC[C@H](NC(=O)C1=CC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020161136	1	38	-1.0	-57.60	336.63	4.90	-52.70
CSCC[C@H](NC(=O)C1=CN=C2C=CC(C)=CN2C1=O)C1=NN=N[N-]1	REAL300020161137	0	41	-1.0	-58.35	361.48	4.91	-53.44
CSCC[C@H](NC(=O)C1=CN=C2C=CC(C)=CN2C1=O)C1=N[N-]N=N1	REAL300020161137	1	41	-1.0	-58.34	361.42	4.89	-53.45
CSCC[C@H](NC(=O)C(C)OC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161138	0	40	-1.0	-49.43	348.50	5.22	-44.21
CSCC[C@H](NC(=O)C(C)OC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161138	1	40	-1.0	-49.42	348.55	5.23	-44.19
COC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161139	0	40	-1.0	-50.33	351.66	4.06	-46.27
COC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161139	1	40	-1.0	-50.36	351.72	4.07	-46.29
CSCC[C@H](NC(=O)CCC1CCCCC1)C1=N[N-]N=N1	REAL300020161140	0	45	-1.0	-45.37	364.34	5.73	-39.64
CSCC[C@H](NC(=O)CCC1CCCCC1)C1=NN=N[N-]1	REAL300020161140	1	45	-1.0	-45.39	364.40	5.74	-39.65
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C(C)S1)C1=N[N-]N=N1	REAL300020161141	0	40	-1.0	-45.28	370.45	2.36	-42.92
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C(C)S1)C1=NN=N[N-]1	REAL300020161141	1	40	-1.0	-45.25	370.51	2.38	-42.87
CSCC[C@H](NC(=O)COC1=CC=CC=C1O)C1=N[N-]N=N1	REAL300020161142	0	38	-1.0	-51.56	341.84	2.34	-49.22
CSCC[C@H](NC(=O)COC1=CC=CC=C1O)C1=NN=N[N-]1	REAL300020161142	1	38	-1.0	-51.57	341.89	2.35	-49.22
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2F)O1)C1=N[N-]N=N1	REAL300020161143	0	40	-1.0	-50.10	369.69	5.97	-44.13
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2F)O1)C1=NN=N[N-]1	REAL300020161143	1	40	-1.0	-50.11	369.74	5.98	-44.13
CSCC[C@H](NC(=O)C1=CN=CN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161144	0	40	-1.0	-47.33	356.51	6.54	-40.79
CSCC[C@H](NC(=O)C1=CN=CN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161144	1	40	-1.0	-47.32	356.46	6.52	-40.80
CSCC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C1=N[N-]N=N1	REAL300020161145	0	41	-1.0	-54.37	364.46	0.68	-53.69
CSCC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C1=NN=N[N-]1	REAL300020161145	1	41	-1.0	-54.38	364.52	0.69	-53.69
CSCC[C@H](NC(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300020161146	0	30	-1.0	-42.52	306.69	3.72	-38.80
CSCC[C@H](NC(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300020161146	1	30	-1.0	-42.53	306.75	3.74	-38.79
COC1=CC=C(OCCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161147	0	47	-1.0	-49.93	403.02	4.44	-45.49
COC1=CC=C(OCCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161147	1	47	-1.0	-49.94	403.08	4.45	-45.49
CSCC[C@H](NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020161148	0	55	-1.0	-48.71	449.70	7.48	-41.23
CSCC[C@H](NC(=O)CCCOC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020161148	1	55	-1.0	-48.73	449.75	7.49	-41.24
CSCC[C@H](NC(=O)CCCOC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020161149	0	46	-1.0	-49.14	394.93	5.83	-43.31
CSCC[C@H](NC(=O)CCCOC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020161149	1	46	-1.0	-49.13	394.99	5.85	-43.28
CSCC[C@H](NC(=O)CCCOC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020161150	0	46	-1.0	-49.40	394.93	5.83	-43.57
CSCC[C@H](NC(=O)CCCOC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020161150	1	46	-1.0	-49.42	394.99	5.85	-43.57
CSCC[C@H](NC(=O)C(C)NC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL300020161151	0	40	-1.0	-45.45	360.30	1.43	-44.02
CSCC[C@H](NC(=O)C(C)NC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL300020161151	1	40	-1.0	-45.44	360.36	1.45	-43.99
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(=O)CC1)C1=N[N-]N=N1	REAL300020161152	0	44	-1.0	-44.22	386.85	4.75	-39.47
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(=O)CC1)C1=NN=N[N-]1	REAL300020161152	1	44	-1.0	-44.19	386.91	4.76	-39.43
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020161153	0	42	-1.0	-46.29	357.69	6.00	-40.29
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020161153	1	42	-1.0	-46.31	357.75	6.01	-40.30
CSCC[C@H](NC(=O)COC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300020161154	0	37	-1.0	-49.43	352.37	5.27	-44.16
CSCC[C@H](NC(=O)COC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300020161154	1	37	-1.0	-49.44	352.43	5.29	-44.15
CSCC[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL300020161155	0	50	-1.0	-46.12	377.10	6.67	-39.45
CSCC[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL300020161155	1	50	-1.0	-46.10	377.15	6.69	-39.41
CSCC[C@H](NC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O)C1=N[N-]N=N1	REAL300020161156	0	45	-1.0	-53.06	383.04	4.29	-48.77
CSCC[C@H](NC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O)C1=NN=N[N-]1	REAL300020161156	1	45	-1.0	-53.04	383.10	4.31	-48.73
CSCC[C@H](NC(=O)CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020161157	0	36	-1.0	-45.02	336.04	5.17	-39.85
CSCC[C@H](NC(=O)CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020161157	1	36	-1.0	-45.01	336.10	5.19	-39.82
CCC1=CC=CC(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161158	0	43	-1.0	-49.50	373.97	6.09	-43.41
CCC1=CC=CC(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161158	1	43	-1.0	-49.49	374.03	6.11	-43.38
CSCC[C@H](NC(=O)CC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020161159	0	42	-1.0	-49.72	366.66	3.92	-45.80
CSCC[C@H](NC(=O)CC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020161159	1	42	-1.0	-49.69	366.72	3.93	-45.76
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL300020161160	0	47	-1.0	-51.50	412.38	2.05	-49.45
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL300020161160	1	47	-1.0	-51.51	412.44	2.06	-49.45
CSCC[C@H](NC(=O)COC1=C(C)C=C(C)C=C1C)C1=N[N-]N=N1	REAL300020161161	0	46	-1.0	-48.75	394.28	6.77	-41.98
CSCC[C@H](NC(=O)COC1=C(C)C=C(C)C=C1C)C1=NN=N[N-]1	REAL300020161161	1	46	-1.0	-48.73	394.34	6.79	-41.94
COC1=CC=CC=C1C(=O)NCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161162	0	44	-1.0	-48.78	383.83	3.14	-45.64
COC1=CC=CC=C1C(=O)NCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161162	1	44	-1.0	-48.78	383.89	3.15	-45.63
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161163	0	41	-1.0	-52.12	376.25	0.47	-51.65
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161163	1	41	-1.0	-52.12	376.30	0.49	-51.63
CSCC[C@H](NC(=O)CNC(=O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161164	0	43	-1.0	-45.53	381.12	3.26	-42.27
CSCC[C@H](NC(=O)CNC(=O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161164	1	43	-1.0	-45.56	381.18	3.28	-42.28
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020161165	0	43	-1.0	-53.74	395.36	3.72	-50.02
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020161165	1	43	-1.0	-53.76	395.42	3.74	-50.02
CSCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020161166	0	47	-1.0	-49.19	415.96	1.80	-47.39
CSCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020161166	1	47	-1.0	-49.21	416.02	1.83	-47.38
CSCC[C@H](NC(=O)C1CC(=O)N(CC2=CC=C(C)C=C2)C1)C1=N[N-]N=N1	REAL300020161167	0	50	-1.0	-45.70	427.88	6.35	-39.35
CSCC[C@H](NC(=O)C1CC(=O)N(CC2=CC=C(C)C=C2)C1)C1=NN=N[N-]1	REAL300020161167	1	50	-1.0	-45.72	427.94	6.37	-39.35
CSCC[C@H](NC(=O)C1=CC=C(OCC2CCCO2)C=C1)C1=N[N-]N=N1	REAL300020161168	0	48	-1.0	-48.87	405.75	4.71	-44.16
CSCC[C@H](NC(=O)C1=CC=C(OCC2CCCO2)C=C1)C1=NN=N[N-]1	REAL300020161168	1	48	-1.0	-48.83	405.81	4.72	-44.11
COC(=O)C1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161169	0	43	-1.0	-48.24	386.81	5.94	-42.30
COC(=O)C1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161169	1	43	-1.0	-48.27	386.87	5.95	-42.32
CSCC[C@H](NC(=O)COC1=CC=C(C(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300020161170	0	49	-1.0	-49.25	408.71	7.11	-42.14
CSCC[C@H](NC(=O)COC1=CC=C(C(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300020161170	1	49	-1.0	-49.24	408.76	7.12	-42.12
CSCC[C@H](NC(=O)COC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161171	0	43	-1.0	-51.72	376.11	6.96	-44.76
CSCC[C@H](NC(=O)COC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161171	1	43	-1.0	-51.74	376.17	6.97	-44.77
CSCC[C@H](NC(=O)C1=CC=CC(NS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020161172	0	41	-1.0	-49.34	374.80	0.71	-48.63
CSCC[C@H](NC(=O)C1=CC=CC(NS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020161172	1	41	-1.0	-49.31	374.86	0.72	-48.59
CSCC[C@H](NC(=O)C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020161173	0	34	-1.0	-48.85	318.36	4.48	-44.37
CSCC[C@H](NC(=O)C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020161173	1	34	-1.0	-48.87	318.42	4.50	-44.37
CSCC[C@H](NC(=O)CCC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161174	0	41	-1.0	-45.48	363.79	5.39	-40.09
CSCC[C@H](NC(=O)CCC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161174	1	41	-1.0	-45.50	363.85	5.41	-40.09
CSCC[C@H](NC(=O)CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020161175	0	36	-1.0	-48.72	328.57	4.83	-43.89
CSCC[C@H](NC(=O)CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020161175	1	36	-1.0	-48.71	328.62	4.84	-43.87
CSCC[C@H](NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020161176	0	43	-1.0	-52.45	388.39	4.34	-48.11
CSCC[C@H](NC(=O)CCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020161176	1	43	-1.0	-52.45	388.45	4.36	-48.09
CSCC[C@H](NC(=O)C(NC(=O)C1=CC=CC(C)=C1)C(C)C)C1=N[N-]N=N1	REAL300020161177	0	52	-1.0	-46.08	430.21	5.69	-40.39
CSCC[C@H](NC(=O)C(NC(=O)C1=CC=CC(C)=C1)C(C)C)C1=NN=N[N-]1	REAL300020161177	1	52	-1.0	-46.12	430.27	5.70	-40.42
CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161178	0	40	-1.0	-46.21	348.79	4.34	-41.87
CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161178	1	40	-1.0	-46.26	348.85	4.35	-41.91
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1OC	REAL300020161179	0	45	-1.0	-51.03	390.25	4.40	-46.63
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1OC	REAL300020161179	1	45	-1.0	-51.04	390.31	4.41	-46.63
CSCC[C@H](NC(=O)C1=CC=C(OCCC(C)C)C=C1)C1=N[N-]N=N1	REAL300020161180	0	49	-1.0	-45.78	409.36	6.44	-39.34
CSCC[C@H](NC(=O)C1=CC=C(OCCC(C)C)C=C1)C1=NN=N[N-]1	REAL300020161180	1	49	-1.0	-45.78	409.42	6.45	-39.33
CCCCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161181	0	52	-1.0	-45.79	434.78	7.48	-38.31
CCCCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161181	1	52	-1.0	-45.77	434.84	7.49	-38.28
CSCC[C@H](NC(=O)C1=CC=C(OC(C)C)C=C1)C1=N[N-]N=N1	REAL300020161182	0	43	-1.0	-46.53	366.71	4.96	-41.57
CSCC[C@H](NC(=O)C1=CC=C(OC(C)C)C=C1)C1=NN=N[N-]1	REAL300020161182	1	43	-1.0	-46.51	366.76	4.97	-41.54
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020161183	0	36	-1.0	-45.87	328.76	4.49	-41.38
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020161183	1	36	-1.0	-45.88	328.81	4.51	-41.37
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OCC(C)C	REAL300020161184	0	50	-1.0	-47.67	419.60	5.70	-41.97
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OCC(C)C	REAL300020161184	1	50	-1.0	-47.66	419.66	5.72	-41.94
CCC(C)C(NC(=O)C1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161185	0	52	-1.0	-47.47	418.78	5.55	-41.92
CCC(C)C(NC(=O)C1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161185	1	52	-1.0	-47.47	418.84	5.56	-41.91
CSCC[C@H](NC(=O)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020161186	0	45	-1.0	-47.46	394.14	7.35	-40.11
CSCC[C@H](NC(=O)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020161186	1	45	-1.0	-47.45	394.20	7.36	-40.09
CSCC[C@H](NC(=O)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL300020161187	0	30	-1.0	-42.45	311.31	3.83	-38.62
CSCC[C@H](NC(=O)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL300020161187	1	30	-1.0	-42.43	311.37	3.85	-38.58
CSCC[C@H](NC(=O)C1=CC=C(N2C(=O)CCC2=O)C=C1)C1=N[N-]N=N1	REAL300020161188	0	43	-1.0	-55.31	384.09	4.68	-50.63
CSCC[C@H](NC(=O)C1=CC=C(N2C(=O)CCC2=O)C=C1)C1=NN=N[N-]1	REAL300020161188	1	43	-1.0	-55.27	384.14	4.70	-50.57
CSCC[C@H](NC(=O)C1=CC=CC(N2C(=O)CCC2=O)=C1)C1=N[N-]N=N1	REAL300020161189	0	43	-1.0	-58.64	384.20	4.66	-53.98
CSCC[C@H](NC(=O)C1=CC=CC(N2C(=O)CCC2=O)=C1)C1=NN=N[N-]1	REAL300020161189	1	43	-1.0	-58.65	384.26	4.68	-53.97
CSCC[C@H](NC(=O)C1CC(=O)N(CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020161190	0	47	-1.0	-45.57	406.47	5.68	-39.89
CSCC[C@H](NC(=O)C1CC(=O)N(CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020161190	1	47	-1.0	-45.56	406.53	5.69	-39.87
CSCC[C@H](NC(=O)CCC(=O)C1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL300020161191	0	47	-1.0	-45.17	401.10	6.74	-38.43
CSCC[C@H](NC(=O)CCC(=O)C1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL300020161191	1	47	-1.0	-45.18	401.16	6.75	-38.43
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020161192	0	41	-1.0	-47.71	365.90	3.58	-44.13
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020161192	1	41	-1.0	-47.71	365.96	3.60	-44.11
CSCC[C@H](NC(=O)C1=CC=CC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020161193	0	38	-1.0	-52.60	351.75	-0.98	-53.58
CSCC[C@H](NC(=O)C1=CC=CC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020161193	1	38	-1.0	-52.62	351.80	-0.96	-53.58
CSCC[C@H](NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020161194	0	47	-1.0	-47.72	408.70	7.39	-40.33
CSCC[C@H](NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020161194	1	47	-1.0	-47.69	408.76	7.41	-40.28
CSCC[C@H](NC(=O)CCC1=NC(=O)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020161195	0	44	-1.0	-54.70	388.06	3.58	-51.12
CSCC[C@H](NC(=O)CCC1=NC(=O)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020161195	1	44	-1.0	-54.71	388.11	3.60	-51.11
CCCC1=CC=C(C(=O)CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161196	0	50	-1.0	-44.94	428.17	7.61	-37.33
CCCC1=CC=C(C(=O)CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161196	1	50	-1.0	-44.95	428.22	7.63	-37.32
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020161197	0	41	-1.0	-50.16	370.18	4.91	-45.25
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020161197	1	41	-1.0	-50.13	370.24	4.92	-45.21
CSCC[C@H](NC(=O)CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161198	0	36	-1.0	-46.30	328.56	4.83	-41.47
CSCC[C@H](NC(=O)CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161198	1	36	-1.0	-46.29	328.62	4.84	-41.45
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1Cl)C1=N[N-]N=N1	REAL300020161199	0	33	-1.0	-44.61	331.35	5.22	-39.39
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1Cl)C1=NN=N[N-]1	REAL300020161199	1	33	-1.0	-44.64	331.41	5.23	-39.41
CSCC[C@H](NC(=O)CC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020161200	0	36	-1.0	-43.50	352.74	5.68	-37.82
CSCC[C@H](NC(=O)CC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020161200	1	36	-1.0	-43.48	352.80	5.70	-37.78
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020161201	0	40	-1.0	-56.12	367.37	3.95	-52.17
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020161201	1	40	-1.0	-56.12	367.43	3.97	-52.15
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020161202	0	33	-1.0	-47.53	308.48	4.23	-43.30
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020161202	1	33	-1.0	-47.54	308.54	4.25	-43.29
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161203	0	41	-1.0	-44.08	370.17	5.46	-38.62
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161203	1	41	-1.0	-44.11	370.23	5.47	-38.64
CSCC[C@H](NC(=O)COC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161204	0	37	-1.0	-49.19	331.07	4.65	-44.54
CSCC[C@H](NC(=O)COC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161204	1	37	-1.0	-49.22	331.13	4.66	-44.56
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020161205	0	39	-1.0	-48.10	343.66	6.38	-41.72
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020161205	1	39	-1.0	-48.07	343.60	6.36	-41.71
CSCC[C@H](NC(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020161206	0	44	-1.0	-50.06	387.95	7.00	-43.06
CSCC[C@H](NC(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020161206	1	44	-1.0	-50.05	388.00	7.02	-43.03
CSCC[C@H](NC(=O)CCC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020161207	0	38	-1.0	-45.39	354.66	4.47	-40.92
CSCC[C@H](NC(=O)CCC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020161207	1	38	-1.0	-45.44	354.72	4.49	-40.95
CSCC[C@H](NC(=O)C1=CC=C(N)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020161208	0	37	-1.0	-51.73	338.02	2.84	-48.89
CSCC[C@H](NC(=O)C1=CC=C(N)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020161208	1	37	-1.0	-51.76	338.08	2.86	-48.90
COC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161209	0	37	-1.0	-51.60	324.86	4.63	-46.97
COC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161209	1	37	-1.0	-51.63	324.92	4.64	-46.99
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020161210	0	38	-1.0	-48.57	341.06	4.55	-44.02
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020161210	1	38	-1.0	-48.60	341.00	4.54	-44.06
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020161211	0	45	-1.0	-46.21	373.64	6.40	-39.81
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020161211	1	45	-1.0	-46.23	373.70	6.41	-39.82
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020161212	0	35	-1.0	-43.60	325.71	4.75	-38.85
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020161212	1	35	-1.0	-43.61	325.77	4.76	-38.85
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020161213	0	44	-1.0	-46.06	386.16	6.96	-39.10
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020161213	1	44	-1.0	-46.05	386.22	6.97	-39.08
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020161214	0	33	-1.0	-46.50	314.27	4.59	-41.91
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020161214	1	33	-1.0	-46.52	314.32	4.60	-41.92
CSCC[C@H](NC(=O)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020161215	0	36	-1.0	-47.20	336.58	5.10	-42.10
CSCC[C@H](NC(=O)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020161215	1	36	-1.0	-47.16	336.63	5.11	-42.05
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020161216	0	35	-1.0	-59.20	340.93	5.94	-53.26
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020161216	1	35	-1.0	-59.19	340.99	5.96	-53.23
CSCC[C@H](NC(=O)C=CC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020161217	0	39	-1.0	-47.05	360.24	5.95	-41.10
CSCC[C@H](NC(=O)C=CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020161217	1	39	-1.0	-47.07	360.29	5.96	-41.11
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161218	0	37	-1.0	-46.55	326.94	3.40	-43.15
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161218	1	37	-1.0	-46.53	326.99	3.42	-43.11
CSCC[C@H](NC(=O)C(C)OC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020161219	0	40	-1.0	-49.17	381.27	6.27	-42.90
CSCC[C@H](NC(=O)C(C)OC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020161219	1	40	-1.0	-49.18	381.33	6.29	-42.89
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020161220	0	33	-1.0	-44.86	326.78	5.11	-39.75
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020161220	1	33	-1.0	-44.82	326.83	5.13	-39.69
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020161221	0	44	-1.0	-50.82	380.91	3.96	-46.86
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020161221	1	44	-1.0	-50.81	380.96	3.97	-46.84
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020161222	0	41	-1.0	-48.29	356.15	3.31	-44.98
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020161222	1	41	-1.0	-48.32	356.20	3.32	-45.00
CSCC[C@H](NC(=O)C1=CC(SC)=CC=C1Cl)C1=N[N-]N=N1	REAL300020161223	0	37	-1.0	-47.16	350.21	5.62	-41.54
CSCC[C@H](NC(=O)C1=CC(SC)=CC=C1Cl)C1=NN=N[N-]1	REAL300020161223	1	37	-1.0	-47.15	350.27	5.64	-41.51
CSCC[C@H](NC(=O)CC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020161224	0	36	-1.0	-46.11	350.26	5.61	-40.50
CSCC[C@H](NC(=O)CC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020161224	1	36	-1.0	-46.15	350.32	5.62	-40.53
CSCC[C@H](NC(=O)CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020161225	0	39	-1.0	-48.76	360.89	5.75	-43.01
CSCC[C@H](NC(=O)CC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020161225	1	39	-1.0	-48.73	360.95	5.77	-42.96
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161226	0	39	-1.0	-46.60	340.42	5.52	-41.08
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161226	1	39	-1.0	-46.64	340.47	5.53	-41.11
COC1=CC(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020161227	0	51	-1.0	-48.21	435.46	4.68	-43.53
COC1=CC(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020161227	1	51	-1.0	-48.20	435.52	4.70	-43.50
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020161228	0	41	-1.0	-45.29	380.46	5.41	-39.88
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020161228	1	41	-1.0	-45.27	380.52	5.43	-39.84
CSCC[C@H](NC(=O)COC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020161229	0	40	-1.0	-47.41	367.88	5.88	-41.53
CSCC[C@H](NC(=O)COC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020161229	1	40	-1.0	-47.41	367.93	5.89	-41.52
CSCC[C@H](NC(=O)C=CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020161230	0	37	-1.0	-46.31	348.80	5.79	-40.52
CSCC[C@H](NC(=O)C=CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020161230	1	37	-1.0	-46.32	348.86	5.81	-40.51
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020161231	0	45	-1.0	-50.84	389.16	3.94	-46.90
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020161231	1	45	-1.0	-50.81	389.22	3.95	-46.86
COC1=CC=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161232	0	41	-1.0	-48.31	361.55	4.57	-43.74
COC1=CC=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161232	1	41	-1.0	-48.29	361.60	4.59	-43.70
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020161233	0	39	-1.0	-58.56	357.76	5.85	-52.71
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020161233	1	39	-1.0	-58.55	357.81	5.86	-52.69
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020161234	0	49	-1.0	-48.47	423.87	4.43	-44.04
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020161234	1	49	-1.0	-48.51	423.92	4.45	-44.06
CSCC[C@H](NC(=O)C1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL300020161235	0	36	-1.0	-46.70	324.64	2.81	-43.89
CSCC[C@H](NC(=O)C1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL300020161235	1	36	-1.0	-46.70	324.59	2.80	-43.90
CSCC[C@H](NC(=O)C1=CC=C(OCC2=NOC(C)=N2)C=C1)C1=N[N-]N=N1	REAL300020161236	0	45	-1.0	-51.58	400.28	2.90	-48.68
CSCC[C@H](NC(=O)C1=CC=C(OCC2=NOC(C)=N2)C=C1)C1=NN=N[N-]1	REAL300020161236	1	45	-1.0	-51.54	400.34	2.92	-48.62
CSCC[C@H](NC(=O)C1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300020161237	0	37	-1.0	-48.47	336.77	3.67	-44.80
CSCC[C@H](NC(=O)C1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300020161237	1	37	-1.0	-48.48	336.82	3.68	-44.80
CSCC[C@H](NC(=O)CSC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL300020161238	0	37	-1.0	-46.24	372.42	6.19	-40.05
CSCC[C@H](NC(=O)CSC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL300020161238	1	37	-1.0	-46.21	372.48	6.21	-40.00
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161239	0	37	-1.0	-49.57	327.01	3.39	-46.18
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161239	1	37	-1.0	-49.56	327.07	3.40	-46.16
CSCC[C@H](NC(=O)CC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020161240	0	46	-1.0	-48.74	396.37	8.18	-40.56
CSCC[C@H](NC(=O)CC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020161240	1	46	-1.0	-48.75	396.43	8.19	-40.56
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161241	0	40	-1.0	-48.40	351.66	4.06	-44.34
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161241	1	40	-1.0	-48.43	351.71	4.08	-44.35
CSCC[C@H](NC(=O)C1=C(C)N(C2=NNC(=O)C=C2)N=C1)C1=N[N-]N=N1	REAL300020161242	0	42	-1.0	-47.92	374.25	2.43	-45.49
CSCC[C@H](NC(=O)C1=C(C)N(C2=NNC(=O)C=C2)N=C1)C1=NN=N[N-]1	REAL300020161242	1	42	-1.0	-47.92	374.30	2.44	-45.48
COC1=CC=CC=C1C=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161243	0	41	-1.0	-50.54	360.43	4.64	-45.90
COC1=CC=CC=C1C=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161243	1	41	-1.0	-50.53	360.48	4.65	-45.88
CSCC[C@H](NC(=O)CSC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020161244	0	43	-1.0	-48.39	386.77	7.49	-40.90
CSCC[C@H](NC(=O)CSC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020161244	1	43	-1.0	-48.41	386.83	7.51	-40.90
CSCC[C@H](NC(=O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1=N[N-]N=N1	REAL300020161245	0	45	-1.0	-60.95	396.63	4.88	-56.07
CSCC[C@H](NC(=O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1=NN=N[N-]1	REAL300020161245	1	45	-1.0	-60.95	396.69	4.90	-56.05
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300020161246	0	39	-1.0	-45.96	335.00	5.43	-40.53
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300020161246	1	39	-1.0	-45.94	335.06	5.45	-40.49
CSCC[C@H](NC(=O)CC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161247	0	42	-1.0	-49.79	364.84	6.89	-42.90
CSCC[C@H](NC(=O)CC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161247	1	42	-1.0	-49.78	364.90	6.90	-42.88
CSCC[C@H](NC(=O)C1=CC=C(N2N=C(C)C=C2C)C=C1)C1=N[N-]N=N1	REAL300020161248	0	46	-1.0	-49.14	396.65	6.27	-42.87
CSCC[C@H](NC(=O)C1=CC=C(N2N=C(C)C=C2C)C=C1)C1=NN=N[N-]1	REAL300020161248	1	46	-1.0	-49.15	396.70	6.29	-42.86
CSCC[C@H](NC(=O)CCCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161249	0	43	-1.0	-49.20	373.53	5.15	-44.05
CSCC[C@H](NC(=O)CCCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161249	1	43	-1.0	-49.22	373.59	5.17	-44.05
CSCC[C@H](NC(=O)C1=CC=C2N=CSC2=C1)C1=NN=N[N-]1	REAL300020161250	0	35	-1.0	-46.99	328.68	3.50	-43.49
CSCC[C@H](NC(=O)C1=CC=C2N=CSC2=C1)C1=N[N-]N=N1	REAL300020161250	1	35	-1.0	-46.99	328.62	3.48	-43.51
CSCC[C@H](NC(=O)C(NC(=O)C1=CC=C(C)C=C1)C(C)C)C1=N[N-]N=N1	REAL300020161251	0	52	-1.0	-43.58	428.53	5.52	-38.06
CSCC[C@H](NC(=O)C(NC(=O)C1=CC=C(C)C=C1)C(C)C)C1=NN=N[N-]1	REAL300020161251	1	52	-1.0	-43.55	428.59	5.53	-38.02
CCOC1=CC=C(OCCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161252	0	50	-1.0	-49.67	424.88	5.36	-44.31
CCOC1=CC=C(OCCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161252	1	50	-1.0	-49.72	424.93	5.38	-44.34
CSCC[C@H](NC(=O)C1=C(C)C(C(C)=O)=C(C)N1)C1=N[N-]N=N1	REAL300020161253	0	42	-1.0	-48.79	369.55	3.68	-45.11
CSCC[C@H](NC(=O)C1=C(C)C(C(C)=O)=C(C)N1)C1=NN=N[N-]1	REAL300020161253	1	42	-1.0	-48.84	369.61	3.69	-45.15
CSCC[C@H](NC(=O)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020161254	0	36	-1.0	-47.50	323.56	2.77	-44.73
CSCC[C@H](NC(=O)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020161254	1	36	-1.0	-47.48	323.61	2.78	-44.70
CSCC[C@H](NC(=O)C1=CC=C(Br)O1)C1=N[N-]N=N1	REAL300020161255	0	30	-1.0	-42.16	303.45	2.83	-39.33
CSCC[C@H](NC(=O)C1=CC=C(Br)O1)C1=NN=N[N-]1	REAL300020161255	1	30	-1.0	-42.14	303.51	2.84	-39.30
CSCC[C@H](NC(=O)C1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL300020161256	0	32	-1.0	-42.85	309.44	2.74	-40.11
CSCC[C@H](NC(=O)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL300020161256	1	32	-1.0	-42.85	309.38	2.73	-40.12
CSCC[C@H](NC(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020161257	0	34	-1.0	-45.38	318.33	4.49	-40.89
CSCC[C@H](NC(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020161257	1	34	-1.0	-45.34	318.38	4.51	-40.83
CCCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161258	0	49	-1.0	-45.80	413.29	6.70	-39.10
CCCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161258	1	49	-1.0	-45.78	413.34	6.71	-39.07
CSCC[C@H](NC(=O)C1=CN=CC(Br)=C1)C1=NN=N[N-]1	REAL300020161259	0	32	-1.0	-43.07	313.91	2.93	-40.14
CSCC[C@H](NC(=O)C1=CN=CC(Br)=C1)C1=N[N-]N=N1	REAL300020161259	1	32	-1.0	-43.13	313.85	2.92	-40.21
CSCC[C@H](NC(=O)CC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020161260	0	36	-1.0	-47.76	341.51	5.20	-42.56
CSCC[C@H](NC(=O)CC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020161260	1	36	-1.0	-47.74	341.57	5.22	-42.52
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020161261	0	33	-1.0	-48.00	325.24	5.05	-42.95
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300020161261	1	33	-1.0	-48.03	325.29	5.06	-42.97
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL300020161262	0	33	-1.0	-44.84	326.79	5.11	-39.73
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL300020161262	1	33	-1.0	-44.83	326.84	5.13	-39.70
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020161263	0	33	-1.0	-42.29	330.99	5.10	-37.19
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020161263	1	33	-1.0	-42.33	331.05	5.11	-37.22
CSCC[C@H](NC(=O)CC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300020161264	0	36	-1.0	-47.22	354.08	5.73	-41.49
CSCC[C@H](NC(=O)CC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300020161264	1	36	-1.0	-47.24	354.14	5.74	-41.50
CCN(CC)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161265	0	47	-1.0	-48.23	392.44	6.40	-41.83
CCN(CC)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161265	1	47	-1.0	-48.22	392.50	6.41	-41.81
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1OC	REAL300020161266	0	41	-1.0	-52.41	355.92	4.40	-48.01
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1OC	REAL300020161266	1	41	-1.0	-52.40	355.97	4.41	-47.99
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020161267	0	41	-1.0	-51.15	354.23	3.94	-47.21
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020161267	1	41	-1.0	-51.15	354.29	3.96	-47.19
COC1=CC(OC)=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161268	0	41	-1.0	-48.65	356.47	2.69	-45.96
COC1=CC(OC)=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161268	1	41	-1.0	-48.66	356.53	2.71	-45.95
CSCC[C@H](NC(=O)C1=CC=CC(N(C)C)=C1)C1=N[N-]N=N1	REAL300020161269	0	41	-1.0	-48.42	349.04	4.49	-43.93
CSCC[C@H](NC(=O)C1=CC=CC(N(C)C)=C1)C1=NN=N[N-]1	REAL300020161269	1	41	-1.0	-48.44	349.09	4.50	-43.94
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)C=C1)C1=N[N-]N=N1	REAL300020161270	0	41	-1.0	-48.55	349.79	4.53	-44.02
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)C=C1)C1=NN=N[N-]1	REAL300020161270	1	41	-1.0	-48.54	349.84	4.54	-44.00
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL300020161271	0	39	-1.0	-45.92	335.00	5.43	-40.49
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL300020161271	1	39	-1.0	-45.94	335.06	5.45	-40.49
CSCC[C@H](NC(=O)C1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300020161272	0	39	-1.0	-47.13	340.34	5.41	-41.72
CSCC[C@H](NC(=O)C1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300020161272	1	39	-1.0	-47.16	340.40	5.42	-41.74
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020161273	0	43	-1.0	-47.32	371.62	7.51	-39.81
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020161273	1	43	-1.0	-47.36	371.68	7.53	-39.83
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161274	0	46	-1.0	-45.79	392.73	8.03	-37.76
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161274	1	46	-1.0	-45.81	392.78	8.05	-37.76
CSCC[C@H](NC(=O)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020161275	0	36	-1.0	-45.80	338.88	5.28	-40.52
CSCC[C@H](NC(=O)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020161275	1	36	-1.0	-45.80	338.94	5.30	-40.50
CSCC[C@H](NC(=O)COC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020161276	0	37	-1.0	-47.55	347.80	5.16	-42.39
CSCC[C@H](NC(=O)COC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020161276	1	37	-1.0	-47.56	347.86	5.18	-42.38
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020161277	0	41	-1.0	-43.92	380.50	5.91	-38.01
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020161277	1	41	-1.0	-43.93	380.56	5.93	-38.00
CSCC[C@H](NC(=O)C1=NN(C)C(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161278	0	41	-1.0	-44.59	362.30	3.54	-41.05
CSCC[C@H](NC(=O)C1=NN(C)C(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161278	1	41	-1.0	-44.62	362.36	3.56	-41.06
CSCC[C@H](NC(=O)CNC(=O)COC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161279	0	44	-1.0	-47.27	390.04	3.15	-44.12
CSCC[C@H](NC(=O)CNC(=O)COC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161279	1	44	-1.0	-47.27	390.10	3.16	-44.11
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020161280	0	44	-1.0	-45.39	385.18	6.07	-39.32
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020161280	1	44	-1.0	-45.37	385.24	6.08	-39.29
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=N1)C1=NN=N[N-]1	REAL300020161281	0	32	-1.0	-45.82	311.67	2.80	-43.02
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=N1)C1=N[N-]N=N1	REAL300020161281	1	32	-1.0	-45.79	311.62	2.79	-43.00
CSCC[C@H](NC(=O)CCC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020161282	0	43	-1.0	-47.00	375.46	5.62	-41.38
CSCC[C@H](NC(=O)CCC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020161282	1	43	-1.0	-47.00	375.52	5.64	-41.36
CSCC[C@H](NC(=O)CSC1=NC(C)=CC(C)=N1)C1=N[N-]N=N1	REAL300020161283	0	41	-1.0	-49.96	376.38	4.01	-45.95
CSCC[C@H](NC(=O)CSC1=NC(C)=CC(C)=N1)C1=NN=N[N-]1	REAL300020161283	1	41	-1.0	-49.95	376.44	4.02	-45.93
CSCC[C@H](NC(=O)CSC1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL300020161284	0	43	-1.0	-46.77	380.58	6.46	-40.31
CSCC[C@H](NC(=O)CSC1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL300020161284	1	43	-1.0	-46.82	380.64	6.47	-40.35
CSCC[C@H](NC(=O)COC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020161285	0	39	-1.0	-62.17	357.10	5.81	-56.36
CSCC[C@H](NC(=O)COC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020161285	1	39	-1.0	-62.22	357.15	5.82	-56.40
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020161286	0	33	-1.0	-43.99	314.25	4.60	-39.39
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020161286	1	33	-1.0	-44.03	314.31	4.61	-39.42
CSCC[C@H](NC(=O)C=CC1=CC(Cl)=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020161287	0	40	-1.0	-46.84	374.84	4.47	-42.37
CSCC[C@H](NC(=O)C=CC1=CC(Cl)=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020161287	1	40	-1.0	-46.84	374.90	4.48	-42.36
CSCC[C@H](NC(=O)CCN1NC(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020161288	0	45	-1.0	-48.55	398.76	2.67	-45.88
CSCC[C@H](NC(=O)CCN1NC(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020161288	1	45	-1.0	-48.56	398.82	2.68	-45.88
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=CO2)C(C)=C1)C1=N[N-]N=N1	REAL300020161289	0	47	-1.0	-52.50	404.41	6.64	-45.86
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=CO2)C(C)=C1)C1=NN=N[N-]1	REAL300020161289	1	47	-1.0	-52.46	404.47	6.65	-45.81
CSCC[C@H](NC(=O)C(NC(=O)C1=CC=CS1)C(C)C)C1=N[N-]N=N1	REAL300020161290	0	46	-1.0	-43.60	399.97	3.81	-39.79
CSCC[C@H](NC(=O)C(NC(=O)C1=CC=CS1)C(C)C)C1=NN=N[N-]1	REAL300020161290	1	46	-1.0	-43.64	400.03	3.82	-39.82
CSCC[C@H](NC(=O)CCC1=C(C)N2N=CN=C2N=C1C)C1=N[N-]N=N1	REAL300020161291	0	46	-1.0	-49.25	394.51	7.46	-41.79
CSCC[C@H](NC(=O)CCC1=C(C)N2N=CN=C2N=C1C)C1=NN=N[N-]1	REAL300020161291	1	46	-1.0	-49.27	394.57	7.48	-41.79
CSCC[C@H](NC(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161292	0	47	-1.0	-44.03	412.97	3.75	-40.28
CSCC[C@H](NC(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161292	1	47	-1.0	-44.04	413.03	3.77	-40.27
CSCC[C@H](NC(=O)CSC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL300020161293	0	44	-1.0	-47.48	386.24	7.13	-40.35
CSCC[C@H](NC(=O)CSC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL300020161293	1	44	-1.0	-47.43	386.30	7.15	-40.28
CSCC[C@H](NC(=O)COC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL300020161294	0	37	-1.0	-49.90	353.51	5.25	-44.65
CSCC[C@H](NC(=O)COC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL300020161294	1	37	-1.0	-49.85	353.57	5.26	-44.59
CSCC[C@H](NC(=O)CCNC(=O)C1=CSC=C1)C1=N[N-]N=N1	REAL300020161295	0	40	-1.0	-55.42	369.98	2.12	-53.30
CSCC[C@H](NC(=O)CCNC(=O)C1=CSC=C1)C1=NN=N[N-]1	REAL300020161295	1	40	-1.0	-55.45	370.03	2.13	-53.32
CSCC[C@H](NC(=O)CCCNC(=O)C1=CSC=C1)C1=N[N-]N=N1	REAL300020161296	0	43	-1.0	-49.44	391.47	2.92	-46.52
CSCC[C@H](NC(=O)CCCNC(=O)C1=CSC=C1)C1=NN=N[N-]1	REAL300020161296	1	43	-1.0	-49.44	391.53	2.94	-46.50
CSCC[C@H](NC(=O)CC(C)NC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161297	0	46	-1.0	-51.35	397.99	4.36	-46.99
CSCC[C@H](NC(=O)CC(C)NC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161297	1	46	-1.0	-51.35	398.05	4.37	-46.98
CSCC[C@H](NC(=O)CC(NC(C)=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020161298	0	46	-1.0	-43.60	406.99	4.64	-38.96
CSCC[C@H](NC(=O)CC(NC(C)=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020161298	1	46	-1.0	-43.62	407.05	4.66	-38.96
CSCC[C@H](NC(=O)CC(NC(C)=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020161299	0	49	-1.0	-46.10	412.68	4.75	-41.35
CSCC[C@H](NC(=O)CC(NC(C)=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020161299	1	49	-1.0	-46.09	412.74	4.77	-41.32
CSCC[C@H](NC(=O)C(C)SC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020161300	0	42	-1.0	-46.18	392.63	6.61	-39.57
CSCC[C@H](NC(=O)C(C)SC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020161300	1	42	-1.0	-46.20	392.69	6.62	-39.58
CSCC[C@H](NC(=O)C1=CC=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL300020161301	0	42	-1.0	-49.33	360.32	4.04	-45.29
CSCC[C@H](NC(=O)C1=CC=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL300020161301	1	42	-1.0	-49.33	360.38	4.06	-45.27
CSCC[C@H](NC(=O)CCCN1C(=O)CNC1=O)C1=N[N-]N=N1	REAL300020161302	0	41	-1.0	-56.14	365.05	0.49	-55.65
CSCC[C@H](NC(=O)CCCN1C(=O)CNC1=O)C1=NN=N[N-]1	REAL300020161302	1	41	-1.0	-56.16	365.11	0.51	-55.65
CSCC[C@H](NC(=O)C1=CC=C(C2SCCCS2)C=C1)C1=N[N-]N=N1	REAL300020161303	0	45	-1.0	-47.17	402.18	7.63	-39.54
CSCC[C@H](NC(=O)C1=CC=C(C2SCCCS2)C=C1)C1=NN=N[N-]1	REAL300020161303	1	45	-1.0	-47.17	402.24	7.65	-39.52
COC1=CC=C(SCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161304	0	41	-1.0	-47.41	370.15	4.50	-42.91
COC1=CC=C(SCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161304	1	41	-1.0	-47.44	370.21	4.52	-42.92
CSCC[C@H](NC(=O)CC1=C(C)ON=C1C)C1=N[N-]N=N1	REAL300020161305	0	38	-1.0	-48.04	339.43	3.53	-44.51
CSCC[C@H](NC(=O)CC1=C(C)ON=C1C)C1=NN=N[N-]1	REAL300020161305	1	38	-1.0	-48.06	339.49	3.55	-44.51
CSCC[C@H](NC(=O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020161306	0	33	-1.0	-44.79	310.22	4.21	-40.58
CSCC[C@H](NC(=O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020161306	1	33	-1.0	-44.81	310.28	4.22	-40.59
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020161307	0	37	-1.0	-48.19	333.15	3.48	-44.71
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020161307	1	37	-1.0	-48.21	333.21	3.49	-44.72
CSCC[C@H](NC(=O)C=CC1=NC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020161308	0	39	-1.0	-49.05	357.32	2.36	-46.69
CSCC[C@H](NC(=O)C=CC1=NC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020161308	1	39	-1.0	-49.04	357.37	2.37	-46.67
CSCC[C@H](NC(=O)C1=CC=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020161309	0	39	-1.0	-48.71	348.24	1.32	-47.39
CSCC[C@H](NC(=O)C1=CC=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020161309	1	39	-1.0	-48.73	348.29	1.34	-47.39
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(C)S1)C1=N[N-]N=N1	REAL300020161310	0	41	-1.0	-45.55	376.46	5.30	-40.25
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(C)S1)C1=NN=N[N-]1	REAL300020161310	1	41	-1.0	-45.58	376.52	5.31	-40.27
CSCC[C@H](NC(=O)C1=CC(Cl)=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020161311	0	36	-1.0	-44.24	340.29	3.29	-40.95
CSCC[C@H](NC(=O)C1=CC(Cl)=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020161311	1	36	-1.0	-44.20	340.34	3.30	-40.90
CSCC[C@H](NC(=O)C1=CC=C2SCCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020161312	0	42	-1.0	-48.70	374.05	3.48	-45.22
CSCC[C@H](NC(=O)C1=CC=C2SCCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020161312	1	42	-1.0	-48.71	374.10	3.50	-45.21
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300020161313	0	40	-2.0	-96.82	371.75	1.23	-95.59
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300020161313	1	40	-2.0	-96.86	371.81	1.25	-95.61
CSCC[C@H](NC(=O)C=CC1=CC(Cl)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020161314	0	43	-1.0	-47.82	392.48	4.97	-42.85
CSCC[C@H](NC(=O)C=CC1=CC(Cl)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020161314	1	43	-1.0	-47.80	392.54	4.99	-42.81
CSCC[C@H](NC(=O)C(=O)NC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020161315	0	40	-1.0	-42.43	356.11	3.01	-39.42
CSCC[C@H](NC(=O)C(=O)NC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020161315	1	40	-1.0	-42.44	356.16	3.03	-39.41
CCOC1=CC=C(SCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161316	0	44	-1.0	-47.24	392.01	5.43	-41.81
CCOC1=CC=C(SCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161316	1	44	-1.0	-47.25	392.06	5.44	-41.81
CSCC[C@H](NC(=O)CCC1=NC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020161317	0	41	-1.0	-48.32	365.89	2.53	-45.79
CSCC[C@H](NC(=O)CCC1=NC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020161317	1	41	-1.0	-48.31	365.95	2.55	-45.76
CSCC[C@H](NC(=O)C1=CC(Cl)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020161318	0	39	-1.0	-46.53	357.94	3.79	-42.74
CSCC[C@H](NC(=O)C1=CC(Cl)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020161318	1	39	-1.0	-46.51	357.99	3.81	-42.70
CSCC[C@H](NC(=O)CSC1=CC=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300020161319	0	39	-1.0	-44.65	377.70	4.60	-40.05
CSCC[C@H](NC(=O)CSC1=CC=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300020161319	1	39	-1.0	-44.63	377.64	4.59	-40.04
CSCC[C@H](NC(=O)C1=CC=C(CN2CCCC2=O)C=C1)C1=N[N-]N=N1	REAL300020161320	0	47	-1.0	-51.73	404.98	5.84	-45.89
CSCC[C@H](NC(=O)C1=CC=C(CN2CCCC2=O)C=C1)C1=NN=N[N-]1	REAL300020161320	1	47	-1.0	-51.74	405.03	5.85	-45.89
CSCC[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C1=N[N-]N=N1	REAL300020161321	0	48	-1.0	-49.61	409.30	2.22	-47.39
CSCC[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C1=NN=N[N-]1	REAL300020161321	1	48	-1.0	-49.66	409.36	2.24	-47.42
CSCC[C@H](NC(=O)CCC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020161322	0	44	-1.0	-51.16	397.73	0.53	-50.63
CSCC[C@H](NC(=O)CCC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020161322	1	44	-1.0	-51.18	397.79	0.54	-50.64
CNS(=O)(=O)C1=CC=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161323	0	47	-1.0	-50.28	420.16	1.74	-48.54
CNS(=O)(=O)C1=CC=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161323	1	47	-1.0	-50.33	420.22	1.75	-48.58
CSCC[C@H](NC(=O)CN1C=C(C(F)(F)F)C=CC1=O)C1=N[N-]N=N1	REAL300020161324	0	39	-1.0	-47.68	365.09	4.34	-43.34
CSCC[C@H](NC(=O)CN1C=C(C(F)(F)F)C=CC1=O)C1=NN=N[N-]1	REAL300020161324	1	39	-1.0	-47.65	365.15	4.35	-43.30
CSCC[C@H](NC(=O)CCC1=CSC=C1)C1=N[N-]N=N1	REAL300020161325	0	36	-1.0	-44.86	333.54	4.49	-40.37
CSCC[C@H](NC(=O)CCC1=CSC=C1)C1=NN=N[N-]1	REAL300020161325	1	36	-1.0	-44.80	333.60	4.51	-40.29
CSCC[C@H](NC(=O)C=CC1=CC=C(N2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300020161326	0	44	-1.0	-49.51	387.87	7.66	-41.85
CSCC[C@H](NC(=O)C=CC1=CC=C(N2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300020161326	1	44	-1.0	-49.50	387.93	7.67	-41.83
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL300020161327	0	45	-1.0	-48.46	406.49	1.92	-46.54
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL300020161327	1	45	-1.0	-48.45	406.54	1.94	-46.51
CSCC[C@H](NC(=O)CCC1=NC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020161328	0	44	-1.0	-50.29	384.03	5.94	-44.35
CSCC[C@H](NC(=O)CCC1=NC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020161328	1	44	-1.0	-50.25	384.09	5.95	-44.30
CSCC[C@H](NC(=O)C1=CN=C(SC)N1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161329	0	44	-1.0	-48.12	397.91	7.08	-41.04
CSCC[C@H](NC(=O)C1=CN=C(SC)N1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161329	1	44	-1.0	-48.10	397.86	7.07	-41.03
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)COC2=C1)C1=N[N-]N=N1	REAL300020161330	0	39	-1.0	-48.77	348.19	1.34	-47.43
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)COC2=C1)C1=NN=N[N-]1	REAL300020161330	1	39	-1.0	-48.76	348.24	1.35	-47.41
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020161331	0	40	-1.0	-50.07	355.86	5.32	-44.75
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020161331	1	40	-1.0	-50.08	355.81	5.30	-44.78
CSCC[C@H](NC(=O)COCC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020161332	0	42	-1.0	-56.44	388.30	4.57	-51.87
CSCC[C@H](NC(=O)COCC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020161332	1	42	-1.0	-56.43	388.36	4.59	-51.84
CSCC[C@H](NC(=O)C1=CC(Cl)=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL300020161333	0	42	-1.0	-46.20	376.35	4.59	-41.61
CSCC[C@H](NC(=O)C1=CC(Cl)=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL300020161333	1	42	-1.0	-46.21	376.40	4.60	-41.61
CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020161334	0	53	-1.0	-48.71	426.03	5.01	-43.70
CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020161334	1	53	-1.0	-48.69	426.09	5.02	-43.67
CSCC[C@H](NC(=O)C1=CC2=CC=C(F)C=C2S1)C1=N[N-]N=N1	REAL300020161335	0	36	-1.0	-44.10	343.03	5.57	-38.53
CSCC[C@H](NC(=O)C1=CC2=CC=C(F)C=C2S1)C1=NN=N[N-]1	REAL300020161335	1	36	-1.0	-44.06	343.09	5.58	-38.48
CCC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161336	0	43	-1.0	-46.24	374.95	6.72	-39.52
CCC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161336	1	43	-1.0	-46.27	375.01	6.73	-39.54
COC1=CC=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1OC(F)F	REAL300020161337	0	45	-1.0	-53.23	401.27	4.89	-48.34
COC1=CC=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1OC(F)F	REAL300020161337	1	45	-1.0	-53.26	401.33	4.90	-48.36
CSCC[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)C1=N[N-]N=N1	REAL300020161338	0	44	-1.0	-55.44	387.47	2.88	-52.56
CSCC[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)C1=NN=N[N-]1	REAL300020161338	1	44	-1.0	-55.40	387.52	2.90	-52.50
CSCC[C@H](NC(=O)C1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020161339	0	40	-1.0	-54.87	352.28	5.78	-49.09
CSCC[C@H](NC(=O)C1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020161339	1	40	-1.0	-54.88	352.22	5.76	-49.12
CSCC[C@H](NC(=O)CC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL300020161340	0	40	-1.0	-49.18	361.41	4.34	-44.84
CSCC[C@H](NC(=O)CC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL300020161340	1	40	-1.0	-49.15	361.47	4.36	-44.79
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1Br)C1=N[N-]N=N1	REAL300020161341	0	33	-1.0	-44.38	320.19	4.78	-39.60
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1Br)C1=NN=N[N-]1	REAL300020161341	1	33	-1.0	-44.36	320.25	4.79	-39.57
CSCC[C@H](NC(=O)C1=C2NC3=C(CCCC3)C2=CC=C1)C1=N[N-]N=N1	REAL300020161342	0	47	-1.0	-48.43	390.19	6.72	-41.71
CSCC[C@H](NC(=O)C1=C2NC3=C(CCCC3)C2=CC=C1)C1=NN=N[N-]1	REAL300020161342	1	47	-1.0	-48.44	390.24	6.73	-41.71
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCN2S(C)(=O)=O)C1=N[N-]N=N1	REAL300020161343	0	45	-1.0	-54.62	395.75	2.81	-51.81
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCN2S(C)(=O)=O)C1=NN=N[N-]1	REAL300020161343	1	45	-1.0	-54.59	395.81	2.83	-51.76
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC2=C1OCCO2	REAL300020161344	0	43	-1.0	-48.90	371.14	3.13	-45.77
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC2=C1OCCO2	REAL300020161344	1	43	-1.0	-48.91	371.19	3.15	-45.76
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Br	REAL300020161345	0	37	-1.0	-47.40	347.33	4.06	-43.34
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Br	REAL300020161345	1	37	-1.0	-47.41	347.39	4.08	-43.33
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL300020161346	0	43	-1.0	-51.48	381.80	5.82	-45.66
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL300020161346	1	43	-1.0	-51.48	381.85	5.84	-45.64
CSCC[C@H](NC(=O)C=CC1=C(Cl)C2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020161347	0	40	-1.0	-47.62	383.96	7.22	-40.40
CSCC[C@H](NC(=O)C=CC1=C(Cl)C2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020161347	1	40	-1.0	-47.64	384.02	7.24	-40.40
CSCC[C@H](NC(=O)C1=C(C)SC(C)=C1)C1=N[N-]N=N1	REAL300020161348	0	36	-1.0	-45.45	327.61	4.59	-40.86
CSCC[C@H](NC(=O)C1=C(C)SC(C)=C1)C1=NN=N[N-]1	REAL300020161348	1	36	-1.0	-45.46	327.66	4.61	-40.85
CSCC[C@H](NC(=O)CCCCNC(N)=O)C1=N[N-]N=N1	REAL300020161349	0	41	-1.0	-54.78	358.87	-1.12	-55.90
CSCC[C@H](NC(=O)CCCCNC(N)=O)C1=NN=N[N-]1	REAL300020161349	1	41	-1.0	-54.79	358.93	-1.10	-55.89
COC(=O)C1=CN(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020161350	0	46	-1.0	-54.62	410.48	6.84	-47.78
COC(=O)C1=CN(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020161350	1	46	-1.0	-54.65	410.54	6.85	-47.80
CSCC[C@H](NC(=O)CCN1C(=O)COC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161351	0	45	-1.0	-51.68	389.67	4.00	-47.68
CSCC[C@H](NC(=O)CCN1C(=O)COC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161351	1	45	-1.0	-51.67	389.73	4.02	-47.65
CSCC[C@H](NC(=O)C1=CC=CC(N2C=CC=C2)=C1)C1=N[N-]N=N1	REAL300020161352	0	41	-1.0	-49.42	358.39	6.86	-42.56
CSCC[C@H](NC(=O)C1=CC=CC(N2C=CC=C2)=C1)C1=NN=N[N-]1	REAL300020161352	1	41	-1.0	-49.38	358.44	6.88	-42.50
CSCC[C@H](NC(=O)C1=CC=CC(CS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020161353	0	42	-1.0	-62.22	382.56	2.27	-59.95
CSCC[C@H](NC(=O)C1=CC=CC(CS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020161353	1	42	-1.0	-62.24	382.62	2.29	-59.95
COCC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161354	0	40	-1.0	-49.41	352.60	3.80	-45.61
COCC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161354	1	40	-1.0	-49.39	352.65	3.81	-45.58
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020161355	0	36	-1.0	-46.57	336.63	5.50	-41.07
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020161355	1	36	-1.0	-46.58	336.68	5.51	-41.07
CSCC[C@H](NC(=O)CC1=CC=C(NC(C)=O)C=C1)C1=N[N-]N=N1	REAL300020161356	0	43	-1.0	-54.87	378.24	3.66	-51.21
CSCC[C@H](NC(=O)CC1=CC=C(NC(C)=O)C=C1)C1=NN=N[N-]1	REAL300020161356	1	43	-1.0	-54.85	378.29	3.68	-51.17
CSCC[C@H](NC(=O)C1=CC=C(CNC(C)=O)C=C1)C1=N[N-]N=N1	REAL300020161357	0	43	-1.0	-49.35	379.72	3.10	-46.25
CSCC[C@H](NC(=O)C1=CC=C(CNC(C)=O)C=C1)C1=NN=N[N-]1	REAL300020161357	1	43	-1.0	-49.37	379.78	3.11	-46.26
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL300020161358	0	40	-1.0	-47.23	365.55	6.56	-40.67
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL300020161358	1	40	-1.0	-47.22	365.60	6.58	-40.64
CSCC[C@H](NC(=O)CCCNC(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020161359	0	46	-1.0	-50.53	411.08	4.15	-46.38
CSCC[C@H](NC(=O)CCCNC(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020161359	1	46	-1.0	-50.50	411.14	4.17	-46.33
CSCC[C@H](NC(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=NN=N[N-]1	REAL300020161360	0	38	-1.0	-51.80	345.73	4.29	-47.51
CSCC[C@H](NC(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=N[N-]N=N1	REAL300020161360	1	38	-1.0	-51.77	345.68	4.28	-47.49
CSCC[C@H](NC(=O)CCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161361	0	39	-1.0	-44.76	349.96	5.64	-39.12
CSCC[C@H](NC(=O)CCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161361	1	39	-1.0	-44.74	350.02	5.65	-39.09
CCOC1=CC=CC=C1CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161362	0	46	-1.0	-46.98	393.72	5.85	-41.13
CCOC1=CC=CC=C1CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161362	1	46	-1.0	-46.97	393.78	5.87	-41.10
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(F)=C1	REAL300020161363	0	37	-1.0	-49.70	331.48	3.47	-46.23
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(F)=C1	REAL300020161363	1	37	-1.0	-49.67	331.53	3.48	-46.19
CSCC[C@H](NC(=O)CCN1C(C)=CSC1=O)C1=N[N-]N=N1	REAL300020161364	0	39	-1.0	-45.70	356.00	3.27	-42.43
CSCC[C@H](NC(=O)CCN1C(C)=CSC1=O)C1=NN=N[N-]1	REAL300020161364	1	39	-1.0	-45.73	356.06	3.29	-42.44
CSCC[C@H](NC(=O)COC1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020161365	0	46	-1.0	-48.75	391.27	6.57	-42.18
CSCC[C@H](NC(=O)COC1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020161365	1	46	-1.0	-48.79	391.33	6.58	-42.21
CSCC[C@H](NC(=O)C1=CC=C(CN2C(=O)CCC2=O)C=C1)C1=N[N-]N=N1	REAL300020161366	0	46	-1.0	-51.59	405.67	5.23	-46.36
CSCC[C@H](NC(=O)C1=CC=C(CN2C(=O)CCC2=O)C=C1)C1=NN=N[N-]1	REAL300020161366	1	46	-1.0	-51.59	405.73	5.24	-46.35
CSCC[C@H](NC(=O)C1=CC=C(CN2C(=O)CNC2=O)C=C1)C1=N[N-]N=N1	REAL300020161367	0	45	-1.0	-52.55	400.34	2.70	-49.85
CSCC[C@H](NC(=O)C1=CC=C(CN2C(=O)CNC2=O)C=C1)C1=NN=N[N-]1	REAL300020161367	1	45	-1.0	-52.59	400.40	2.71	-49.88
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL300020161368	0	44	-1.0	-61.44	384.72	4.57	-56.87
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL300020161368	1	44	-1.0	-61.41	384.78	4.59	-56.82
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300020161369	0	33	-1.0	-47.52	308.50	4.22	-43.30
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL300020161369	1	33	-1.0	-47.52	308.55	4.24	-43.28
CSCC[C@H](NC(=O)CCC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020161370	0	38	-1.0	-45.55	338.39	3.78	-41.77
CSCC[C@H](NC(=O)CCC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020161370	1	38	-1.0	-45.54	338.45	3.80	-41.74
CSCC[C@H](NC(=O)CCC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020161371	0	51	-1.0	-45.20	419.76	7.89	-37.31
CSCC[C@H](NC(=O)CCC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020161371	1	51	-1.0	-45.19	419.81	7.91	-37.28
CSCC[C@H](NC(=O)C=CC1=C(Cl)N(CC(C)C)N=C1C)C1=N[N-]N=N1	REAL300020161372	0	49	-1.0	-45.49	435.28	6.50	-38.99
CSCC[C@H](NC(=O)C=CC1=C(Cl)N(CC(C)C)N=C1C)C1=NN=N[N-]1	REAL300020161372	1	49	-1.0	-45.53	435.33	6.52	-39.01
COC1=CC=C(C)C=C1C=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161373	0	44	-1.0	-50.17	381.82	5.30	-44.87
COC1=CC=C(C)C=C1C=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161373	1	44	-1.0	-50.17	381.88	5.32	-44.85
CSCC[C@H](NC(=O)CNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020161374	0	42	-1.0	-43.83	359.55	1.52	-42.31
CSCC[C@H](NC(=O)CNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020161374	1	42	-1.0	-43.84	359.61	1.53	-42.31
CSCC[C@H](NC(=O)CN1C=CC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL300020161375	0	39	-1.0	-49.76	350.16	2.79	-46.97
CSCC[C@H](NC(=O)CN1C=CC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL300020161375	1	39	-1.0	-49.76	350.22	2.81	-46.95
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020161376	0	37	-1.0	-46.01	331.34	4.04	-41.97
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020161376	1	37	-1.0	-45.97	331.28	4.02	-41.95
CSCC[C@H](NC(=O)C1=CC=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL300020161377	0	44	-1.0	-62.86	375.33	5.22	-57.64
CSCC[C@H](NC(=O)C1=CC=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL300020161377	1	44	-1.0	-62.82	375.39	5.23	-57.59
CSCC[C@H](NC(=O)CSC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020161378	0	37	-1.0	-45.30	353.38	5.34	-39.96
CSCC[C@H](NC(=O)CSC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020161378	1	37	-1.0	-45.30	353.43	5.36	-39.94
CSCC[C@H](NC(=O)CCC1=C(C)N=C(SC)N=C1C)C1=N[N-]N=N1	REAL300020161379	0	47	-1.0	-45.81	411.16	5.10	-40.71
CSCC[C@H](NC(=O)CCC1=C(C)N=C(SC)N=C1C)C1=NN=N[N-]1	REAL300020161379	1	47	-1.0	-45.82	411.22	5.11	-40.71
CSCC[C@H](NC(=O)C1=CC=CC(NC(N)=O)=C1)C1=N[N-]N=N1	REAL300020161380	0	39	-1.0	-62.10	346.56	0.18	-61.92
CSCC[C@H](NC(=O)C1=CC=CC(NC(N)=O)=C1)C1=NN=N[N-]1	REAL300020161380	1	39	-1.0	-62.09	346.61	0.20	-61.89
CSCC[C@H](NC(=O)C(C1=CC=C(Cl)C=C1)C(C)C)C1=N[N-]N=N1	REAL300020161381	0	45	-1.0	-47.43	394.38	6.86	-40.57
CSCC[C@H](NC(=O)C(C1=CC=C(Cl)C=C1)C(C)C)C1=NN=N[N-]1	REAL300020161381	1	45	-1.0	-47.45	394.43	6.88	-40.57
CCOC1=CC=CC=C1OCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161382	0	50	-1.0	-53.10	424.63	5.98	-47.12
CCOC1=CC=CC=C1OCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161382	1	50	-1.0	-53.12	424.69	5.99	-47.13
CSCC[C@H](NC(=O)C1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300020161383	0	43	-1.0	-47.47	360.24	6.57	-40.90
CSCC[C@H](NC(=O)C1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300020161383	1	43	-1.0	-47.44	360.30	6.58	-40.86
CSCC[C@H](NC(=O)CCCCC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020161384	0	47	-1.0	-49.02	418.22	6.56	-42.46
CSCC[C@H](NC(=O)CCCCC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020161384	1	47	-1.0	-49.02	418.28	6.57	-42.45
CSCC[C@H](NC(=O)C1=CC=C(CNC(N)=O)C=C1)C1=N[N-]N=N1	REAL300020161385	0	42	-1.0	-50.17	372.64	0.30	-49.87
CSCC[C@H](NC(=O)C1=CC=C(CNC(N)=O)C=C1)C1=NN=N[N-]1	REAL300020161385	1	42	-1.0	-50.10	372.70	0.31	-49.79
CSCC[C@H](NC(=O)CC1OC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020161386	0	42	-1.0	-49.90	370.49	2.82	-47.08
CSCC[C@H](NC(=O)CC1OC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020161386	1	42	-1.0	-49.93	370.54	2.83	-47.10
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161387	0	45	-1.0	-46.23	383.38	6.51	-39.72
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161387	1	45	-1.0	-46.21	383.44	6.52	-39.69
CSCC[C@H](NC(=O)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020161388	0	46	-1.0	-50.98	388.66	1.51	-49.47
CSCC[C@H](NC(=O)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020161388	1	46	-1.0	-51.00	388.72	1.53	-49.47
CSCC[C@H](NC(=O)C1=CC=C(N2N=CC=C2C)C=C1)C1=N[N-]N=N1	REAL300020161389	0	43	-1.0	-48.68	374.76	5.69	-42.99
CSCC[C@H](NC(=O)C1=CC=C(N2N=CC=C2C)C=C1)C1=NN=N[N-]1	REAL300020161389	1	43	-1.0	-48.68	374.81	5.71	-42.97
CSCC[C@H](NC(=O)CC1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020161390	0	39	-1.0	-55.92	344.64	0.43	-55.49
CSCC[C@H](NC(=O)CC1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020161390	1	39	-1.0	-55.93	344.70	0.44	-55.49
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020161391	0	50	-1.0	-51.17	419.50	4.34	-46.83
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020161391	1	50	-1.0	-51.16	419.56	4.36	-46.80
CSCC[C@H](NC(=O)CCCCC1CCSS1)C1=N[N-]N=N1	REAL300020161392	0	44	-1.0	-49.35	390.78	7.31	-42.04
CSCC[C@H](NC(=O)CCCCC1CCSS1)C1=NN=N[N-]1	REAL300020161392	1	44	-1.0	-49.39	390.83	7.32	-42.07
CSCC[C@H](NC(=O)CC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300020161393	0	48	-1.0	-46.61	403.31	7.45	-39.16
CSCC[C@H](NC(=O)CC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300020161393	1	48	-1.0	-46.60	403.37	7.46	-39.14
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL300020161394	0	44	-1.0	-54.20	399.33	6.24	-47.96
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL300020161394	1	44	-1.0	-54.13	399.39	6.26	-47.87
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020161395	0	50	-1.0	-55.94	419.34	4.33	-51.61
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020161395	1	50	-1.0	-55.94	419.40	4.34	-51.60
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020161396	0	40	-1.0	-51.57	357.89	4.14	-47.43
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020161396	1	40	-1.0	-51.59	357.95	4.15	-47.44
CSCC[C@H](NC(=O)C=CC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL300020161397	0	41	-1.0	-51.78	366.54	2.07	-49.71
CSCC[C@H](NC(=O)C=CC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL300020161397	1	41	-1.0	-51.73	366.59	2.08	-49.65
CSCC[C@H](NC(=O)COC1=CC=C(Cl)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020161398	0	43	-1.0	-49.13	390.47	7.37	-41.76
CSCC[C@H](NC(=O)COC1=CC=C(Cl)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020161398	1	43	-1.0	-49.15	390.53	7.38	-41.77
COC1=CC=C(C)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161399	0	40	-1.0	-51.21	346.25	5.31	-45.90
COC1=CC=C(C)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161399	1	40	-1.0	-51.23	346.31	5.32	-45.91
CNS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161400	0	41	-1.0	-48.87	374.09	0.26	-48.61
CNS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161400	1	41	-1.0	-48.86	374.14	0.27	-48.59
CSCC[C@H](NC(=O)CCC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300020161401	0	44	-1.0	-46.51	394.51	4.22	-42.29
CSCC[C@H](NC(=O)CCC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300020161401	1	44	-1.0	-46.48	394.45	4.20	-42.28
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161402	0	39	-1.0	-49.10	353.02	5.30	-43.80
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161402	1	39	-1.0	-49.10	353.08	5.31	-43.79
CSCC[C@H](NC(=O)CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020161403	0	39	-1.0	-47.04	343.56	5.44	-41.60
CSCC[C@H](NC(=O)CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020161403	1	39	-1.0	-47.06	343.62	5.45	-41.61
COC1=CC=C(C)C=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161404	0	43	-1.0	-49.74	371.87	4.78	-44.96
COC1=CC=C(C)C=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161404	1	43	-1.0	-49.73	371.93	4.80	-44.93
CSCC[C@H](NC(=O)CSC1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020161405	0	40	-1.0	-55.52	370.13	1.07	-54.45
CSCC[C@H](NC(=O)CSC1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020161405	1	40	-1.0	-55.49	370.18	1.08	-54.41
CSCC[C@H](NC(=O)C1=CC=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161406	0	38	-1.0	-47.04	333.79	4.48	-42.56
CSCC[C@H](NC(=O)C1=CC=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161406	1	38	-1.0	-47.03	333.73	4.46	-42.57
CSCC[C@H](NC(=O)C1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020161407	0	35	-1.0	-59.95	321.83	5.76	-54.19
CSCC[C@H](NC(=O)C1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020161407	1	35	-1.0	-59.95	321.89	5.77	-54.18
CSCC[C@H](NC(=O)C1=NC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL300020161408	0	32	-1.0	-45.60	324.22	3.31	-42.29
CSCC[C@H](NC(=O)C1=NC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL300020161408	1	32	-1.0	-45.61	324.16	3.29	-42.32
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(Cl)=C1)C1=NN=N[N-]1	REAL300020161409	0	32	-1.0	-40.86	326.52	3.18	-37.68
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(Cl)=C1)C1=N[N-]N=N1	REAL300020161409	1	32	-1.0	-40.87	326.47	3.16	-37.71
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)C=CS1)C1=N[N-]N=N1	REAL300020161410	0	40	-1.0	-47.01	363.72	6.70	-40.31
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)C=CS1)C1=NN=N[N-]1	REAL300020161410	1	40	-1.0	-47.02	363.77	6.72	-40.30
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020161411	0	42	-1.0	-45.92	381.47	5.63	-40.29
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020161411	1	42	-1.0	-45.91	381.41	5.62	-40.29
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CS2)S1)C1=NN=N[N-]1	REAL300020161412	0	39	-1.0	-45.25	373.83	4.75	-40.50
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CS2)S1)C1=N[N-]N=N1	REAL300020161412	1	39	-1.0	-45.27	373.77	4.74	-40.53
CSCC[C@H](NC(=O)C1=CC(C(C)C)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161413	0	47	-1.0	-46.04	393.75	6.30	-39.74
CSCC[C@H](NC(=O)C1=CC(C(C)C)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161413	1	47	-1.0	-46.08	393.80	6.32	-39.76
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC(=O)N(C)C)C1=N[N-]N=N1	REAL300020161414	0	47	-1.0	-67.90	403.15	5.89	-62.01
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC(=O)N(C)C)C1=NN=N[N-]1	REAL300020161414	1	47	-1.0	-67.94	403.20	5.90	-62.04
CSCC[C@H](NC(=O)C1=C(C2=CC=C(C)C=C2)C=CS1)C1=N[N-]N=N1	REAL300020161415	0	43	-1.0	-47.40	385.10	7.38	-40.02
CSCC[C@H](NC(=O)C1=C(C2=CC=C(C)C=C2)C=CS1)C1=NN=N[N-]1	REAL300020161415	1	43	-1.0	-47.36	385.16	7.39	-39.97
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL300020161416	0	42	-1.0	-44.14	387.86	5.70	-38.44
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL300020161416	1	42	-1.0	-44.12	387.80	5.69	-38.43
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SN=N1	REAL300020161417	0	34	-1.0	-41.26	319.25	2.00	-39.26
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SN=N1	REAL300020161417	1	34	-1.0	-41.29	319.30	2.02	-39.27
CSCC[C@H](NC(=O)C1=CC=CC=C1S(C)=O)C1=N[N-]N=N1	REAL300020161418	0	38	-1.0	-66.17	343.31	4.05	-62.12
CSCC[C@H](NC(=O)C1=CC=CC=C1S(C)=O)C1=NN=N[N-]1	REAL300020161418	1	38	-1.0	-66.16	343.36	4.06	-62.10
CSCC[C@H](NC(=O)C1=CC=C(OCC(N)=O)C=C1)C1=N[N-]N=N1	REAL300020161419	0	41	-1.0	-53.75	365.52	1.51	-52.24
CSCC[C@H](NC(=O)C1=CC=C(OCC(N)=O)C=C1)C1=NN=N[N-]1	REAL300020161419	1	41	-1.0	-53.77	365.58	1.53	-52.24
CSCC[C@H](NC(=O)C1=CC=CC=C1SCC#N)C1=N[N-]N=N1	REAL300020161420	0	38	-1.0	-53.87	354.09	5.69	-48.18
CSCC[C@H](NC(=O)C1=CC=CC=C1SCC#N)C1=NN=N[N-]1	REAL300020161420	1	38	-1.0	-53.89	354.15	5.71	-48.18
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020161421	0	42	-1.0	-45.69	374.68	4.31	-41.38
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020161421	1	42	-1.0	-45.71	374.74	4.32	-41.39
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=CC=C2Cl)C1)C1=N[N-]N=N1	REAL300020161422	0	44	-1.0	-57.73	400.76	6.08	-51.65
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=CC=C2Cl)C1)C1=NN=N[N-]1	REAL300020161422	1	44	-1.0	-57.73	400.81	6.09	-51.64
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL300020161423	0	44	-1.0	-56.88	389.32	7.68	-49.20
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL300020161423	1	44	-1.0	-56.88	389.26	7.66	-49.22
CSCC[C@H](NC(=O)C1=C(C)C2=C(F)C=CC=C2S1)C1=N[N-]N=N1	REAL300020161424	0	39	-1.0	-47.54	355.08	6.12	-41.42
CSCC[C@H](NC(=O)C1=C(C)C2=C(F)C=CC=C2S1)C1=NN=N[N-]1	REAL300020161424	1	39	-1.0	-47.53	355.14	6.14	-41.39
CSCC[C@H](NC(=O)C1=CC(F)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020161425	0	33	-1.0	-41.88	332.62	5.16	-36.72
CSCC[C@H](NC(=O)C1=CC(F)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020161425	1	33	-1.0	-41.90	332.67	5.18	-36.72
COCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC2=CC=CC(F)=C21	REAL300020161426	0	43	-1.0	-50.60	388.75	5.17	-45.43
COCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC2=CC=CC(F)=C21	REAL300020161426	1	43	-1.0	-50.54	388.80	5.18	-45.36
CSCC[C@H](NC(=O)C1=CN2C=CC=CC2=N1)C1=NN=N[N-]1	REAL300020161427	0	36	-1.0	-51.58	328.05	4.57	-47.01
CSCC[C@H](NC(=O)C1=CN2C=CC=CC2=N1)C1=N[N-]N=N1	REAL300020161427	1	36	-1.0	-51.56	327.99	4.55	-47.01
CSCC[C@H](NC(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2S1)C1=N[N-]N=N1	REAL300020161428	0	38	-1.0	-45.48	364.68	6.15	-39.33
CSCC[C@H](NC(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2S1)C1=NN=N[N-]1	REAL300020161428	1	38	-1.0	-45.47	364.73	6.17	-39.30
CSCC[C@H](NC(=O)C=CC1=C(Cl)N=C2SC=CN21)C1=N[N-]N=N1	REAL300020161429	0	37	-1.0	-49.83	366.88	5.39	-44.44
CSCC[C@H](NC(=O)C1=CC2=C(S1)N(C)C1=C2C=CC=C1)C1=N[N-]N=N1	REAL300020161430	0	43	-1.0	-49.66	390.67	7.13	-42.53
CSCC[C@H](NC(=O)CN1N=C(C2=CC=CC=C2)OC1=O)C1=NN=N[N-]1	REAL300020161431	0	42	-1.0	-56.55	385.69	2.68	-53.87
CSCC[C@H](NC(=O)CN1N=C(C2=CC=CC=C2)OC1=O)C1=N[N-]N=N1	REAL300020161431	1	42	-1.0	-56.50	385.64	2.66	-53.84
CSCC[C@H](NC(=O)C1=CC=C(C)C(F)=C1)C1=N[N-]N=N1	REAL300020161432	0	36	-1.0	-44.54	324.22	4.79	-39.75
CSCC[C@H](NC(=O)C1=CC=C(C)C(F)=C1)C1=NN=N[N-]1	REAL300020161432	1	36	-1.0	-44.52	324.28	4.80	-39.72
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161433	0	43	-1.0	-47.40	373.65	7.60	-39.80
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161433	1	43	-1.0	-47.41	373.59	7.58	-39.83
CSCC[C@H](NC(=O)C=CC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020161434	0	44	-1.0	-50.04	391.68	6.54	-43.50
CSCC[C@H](NC(=O)C=CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020161434	1	44	-1.0	-50.05	391.74	6.55	-43.50
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2Cl)O1)C1=N[N-]N=N1	REAL300020161435	0	40	-1.0	-48.58	378.13	6.40	-42.18
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2Cl)O1)C1=NN=N[N-]1	REAL300020161435	1	40	-1.0	-48.55	378.19	6.41	-42.14
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300020161436	0	39	-1.0	-45.92	381.57	5.42	-40.50
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300020161436	1	39	-1.0	-45.94	381.51	5.41	-40.53
CSCC[C@H](NC(=O)C1=CN=CN1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161437	0	40	-1.0	-46.04	362.19	6.63	-39.41
CSCC[C@H](NC(=O)C1=CN=CN1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161437	1	40	-1.0	-46.01	362.13	6.62	-39.39
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=NN1)C1=N[N-]N=N1	REAL300020161438	0	40	-1.0	-44.89	358.98	4.12	-40.77
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=NN1)C1=NN=N[N-]1	REAL300020161438	1	40	-1.0	-44.92	359.04	4.14	-40.78
COC1=CC(OC)=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161439	0	45	-1.0	-48.25	391.01	3.88	-44.37
COC1=CC(OC)=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161439	1	45	-1.0	-48.24	391.06	3.90	-44.34
CSCC[C@H](NC(=O)C1=CC=CC=C1C(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020161440	0	42	-1.0	-56.05	387.33	6.62	-49.43
CSCC[C@H](NC(=O)C1=CC=CC=C1C(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020161440	1	42	-1.0	-56.06	387.39	6.64	-49.42
CSCC[C@H](NC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1=N[N-]N=N1	REAL300020161441	0	41	-1.0	-49.96	368.67	4.59	-45.37
CSCC[C@H](NC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1=NN=N[N-]1	REAL300020161441	1	41	-1.0	-49.98	368.72	4.60	-45.38
CSCC[C@H](NC(=O)C1=C(C)OC2=C1C(=O)NC=N2)C1=N[N-]N=N1	REAL300020161442	0	38	-1.0	-66.83	350.43	0.66	-66.17
CSCC[C@H](NC(=O)C1=C(C)OC2=C1C(=O)NC=N2)C1=NN=N[N-]1	REAL300020161442	1	38	-1.0	-66.80	350.48	0.68	-66.12
CCS(=O)C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161443	0	41	-1.0	-67.29	364.77	4.95	-62.34
CCS(=O)C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161443	1	41	-1.0	-67.29	364.82	4.97	-62.32
CSCC[C@H](NC(=O)CN1CCSC1=O)C1=N[N-]N=N1	REAL300020161444	0	35	-1.0	-49.19	326.03	2.12	-47.07
CSCC[C@H](NC(=O)CN1CCSC1=O)C1=NN=N[N-]1	REAL300020161444	1	35	-1.0	-49.17	326.09	2.14	-47.03
CSCC[C@H](NC(=O)C1=CC2=C(CCCCC2)S1)C1=N[N-]N=N1	REAL300020161445	0	43	-1.0	-45.97	370.59	6.31	-39.66
CSCC[C@H](NC(=O)C1=CC2=C(CCCCC2)S1)C1=NN=N[N-]1	REAL300020161445	1	43	-1.0	-45.96	370.65	6.33	-39.63
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2)S1)C1=N[N-]N=N1	REAL300020161446	0	40	-1.0	-46.15	353.29	5.71	-40.44
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2)S1)C1=NN=N[N-]1	REAL300020161446	1	40	-1.0	-46.14	353.35	5.72	-40.42
CSCC[C@H](NC(=O)C1=CC2=C(CCC2)S1)C1=N[N-]N=N1	REAL300020161447	0	37	-1.0	-46.33	335.55	5.12	-41.21
CSCC[C@H](NC(=O)C1=CC2=C(CCC2)S1)C1=NN=N[N-]1	REAL300020161447	1	37	-1.0	-46.32	335.61	5.13	-41.19
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL300020161448	0	40	-1.0	-45.84	374.05	6.84	-39.00
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL300020161448	1	40	-1.0	-45.87	374.10	6.86	-39.01
CCCCC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161449	0	48	-1.0	-46.66	408.04	7.76	-38.90
CCCCC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161449	1	48	-1.0	-46.68	408.10	7.78	-38.90
CSCC[C@H](NC(=O)C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020161450	0	41	-1.0	-58.77	374.36	7.73	-51.04
CSCC[C@H](NC(=O)C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020161450	1	41	-1.0	-58.78	374.30	7.72	-51.06
CSCC[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1=N[N-]N=N1	REAL300020161451	0	41	-1.0	-54.82	369.46	1.48	-53.34
CSCC[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1=NN=N[N-]1	REAL300020161451	1	41	-1.0	-54.84	369.52	1.50	-53.34
CSCC[C@H](NC(=O)C=CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020161452	0	51	-1.0	-49.63	440.20	9.31	-40.32
CSCC[C@H](NC(=O)C=CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020161452	1	51	-1.0	-49.64	440.26	9.33	-40.31
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL300020161453	0	37	-1.0	-47.25	336.11	2.58	-44.67
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL300020161453	1	37	-1.0	-47.24	336.05	2.57	-44.67
CSCC[C@H](NC(=O)CC12CC3CC(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL300020161454	0	51	-1.0	-45.01	387.83	3.33	-41.68
CSCC[C@H](NC(=O)CC12CC3CC(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL300020161454	1	51	-1.0	-45.02	387.88	3.34	-41.68
CSCC[C@H](NC(=O)C1=CC=C(SC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020161455	0	37	-1.0	-44.76	353.75	5.55	-39.21
CSCC[C@H](NC(=O)C1=CC=C(SC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020161455	1	37	-1.0	-44.75	353.81	5.56	-39.19
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1)C1=NN=N[N-]1	REAL300020161456	0	42	-1.0	-49.14	380.70	5.47	-43.67
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N=C(C)S1)C1=N[N-]N=N1	REAL300020161456	1	42	-1.0	-49.21	380.64	5.45	-43.76
COC1=CC=C2OC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C(C)C2=C1	REAL300020161457	0	43	-1.0	-45.90	376.08	4.45	-41.45
COC1=CC=C2OC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C(C)C2=C1	REAL300020161457	1	43	-1.0	-45.90	376.14	4.47	-41.43
CCOC1=CC=C2OC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C(C)C2=C1	REAL300020161458	0	46	-1.0	-45.65	397.94	5.38	-40.27
CCOC1=CC=C2OC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C(C)C2=C1	REAL300020161458	1	46	-1.0	-45.70	397.99	5.39	-40.31
COCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)OC2=CC=CC=C21	REAL300020161459	0	43	-1.0	-47.55	380.19	4.23	-43.32
COCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)OC2=CC=CC=C21	REAL300020161459	1	43	-1.0	-47.52	380.24	4.25	-43.27
CSCC[C@H](NC(=O)C1=C(COC(C)C)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020161460	0	49	-1.0	-49.65	422.31	5.94	-43.71
CSCC[C@H](NC(=O)C1=C(COC(C)C)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020161460	1	49	-1.0	-49.65	422.37	5.97	-43.68
CSCC[C@H](NC(=O)C1=C(C)C2=CC(F)=CC=C2O1)C1=N[N-]N=N1	REAL300020161461	0	39	-1.0	-43.50	353.03	5.23	-38.27
CSCC[C@H](NC(=O)C1=C(C)C2=CC(F)=CC=C2O1)C1=NN=N[N-]1	REAL300020161461	1	39	-1.0	-43.51	353.09	5.25	-38.26
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC(F)=C2O1)C1=N[N-]N=N1	REAL300020161462	0	39	-1.0	-47.40	352.96	5.22	-42.18
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC(F)=C2O1)C1=NN=N[N-]1	REAL300020161462	1	39	-1.0	-47.41	353.01	5.24	-42.17
CSCC[C@H](NC(=O)C1=C(C)C2=CC(Cl)=CC=C2O1)C1=N[N-]N=N1	REAL300020161463	0	39	-1.0	-43.35	363.24	5.68	-37.67
CSCC[C@H](NC(=O)C1=C(C)C2=CC(Cl)=CC=C2O1)C1=NN=N[N-]1	REAL300020161463	1	39	-1.0	-43.32	363.30	5.70	-37.62
CSCC[C@H](NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020161464	0	53	-1.0	-46.39	426.36	4.98	-41.41
CSCC[C@H](NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020161464	1	53	-1.0	-46.36	426.41	5.00	-41.36
CCC1=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020161465	0	46	-1.0	-47.34	405.60	7.38	-39.96
CCC1=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020161465	1	46	-1.0	-47.34	405.66	7.41	-39.93
CSCC[C@H](NC(=O)CCC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020161466	0	46	-1.0	-49.49	402.45	6.77	-42.72
CSCC[C@H](NC(=O)CCC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020161466	1	46	-1.0	-49.51	402.39	6.76	-42.75
CSCC[C@H](NC(=O)CCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020161467	0	49	-1.0	-47.87	410.16	2.32	-45.55
CSCC[C@H](NC(=O)CCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020161467	1	49	-1.0	-47.86	410.22	2.33	-45.53
CSCC[C@H](NC(=O)CCSC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020161468	0	42	-1.0	-51.02	397.60	5.72	-45.30
CSCC[C@H](NC(=O)CCSC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020161468	1	42	-1.0	-50.99	397.54	5.70	-45.29
CSCC[C@H](NC(=O)C1CN(C(C)=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020161469	0	45	-1.0	-48.39	385.29	4.92	-43.47
CSCC[C@H](NC(=O)C1CN(C(C)=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020161469	1	45	-1.0	-48.38	385.35	4.93	-43.45
CSCC[C@H](NC(=O)C1=CC=CN=C1N1CCCC1)C1=N[N-]N=N1	REAL300020161470	0	44	-1.0	-49.31	369.87	4.95	-44.36
CSCC[C@H](NC(=O)C1=CC=CN=C1N1CCCC1)C1=NN=N[N-]1	REAL300020161470	1	44	-1.0	-49.28	369.93	4.97	-44.31
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161471	0	44	-1.0	-54.14	390.25	4.75	-49.39
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161471	1	44	-1.0	-54.18	390.20	4.73	-49.45
CSCC[C@H](NC(=O)COC1=CC=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL300020161472	0	49	-1.0	-48.48	402.24	7.18	-41.30
CSCC[C@H](NC(=O)COC1=CC=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL300020161472	1	49	-1.0	-48.48	402.30	7.19	-41.29
CSCC[C@H](NC(=O)COC1=NOC(C)=C1)C1=N[N-]N=N1	REAL300020161473	0	36	-1.0	-49.01	330.90	1.61	-47.40
CSCC[C@H](NC(=O)COC1=NOC(C)=C1)C1=NN=N[N-]1	REAL300020161473	1	36	-1.0	-48.97	330.96	1.62	-47.35
COC1=CC=C(OC)C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161474	0	44	-1.0	-49.97	379.95	3.39	-46.58
COC1=CC=C(OC)C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161474	1	44	-1.0	-50.00	380.01	3.41	-46.59
CSCC[C@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C1=N[N-]N=N1	REAL300020161475	0	47	-1.0	-53.68	406.98	1.88	-51.80
CSCC[C@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C1=NN=N[N-]1	REAL300020161475	1	47	-1.0	-53.65	407.04	1.89	-51.76
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020161476	0	41	-1.0	-46.26	358.25	6.87	-39.39
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020161476	1	41	-1.0	-46.28	358.31	6.88	-39.40
CSCC[C@H](NC(=O)CN1C=CC(=O)NC1=O)C1=N[N-]N=N1	REAL300020161477	0	36	-1.0	-49.60	331.05	0.63	-48.97
CSCC[C@H](NC(=O)CN1C=CC(=O)NC1=O)C1=NN=N[N-]1	REAL300020161477	1	36	-1.0	-49.56	331.11	0.64	-48.92
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=C(C)C=C2)=N1)C1=NN=N[N-]1	REAL300020161478	0	45	-1.0	-50.94	407.28	6.42	-44.52
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=C(C)C=C2)=N1)C1=N[N-]N=N1	REAL300020161478	1	45	-1.0	-50.93	407.23	6.40	-44.53
CSCC[C@H](NC(=O)CCC1=C(C)NC(=O)C(C#N)=C1C)C1=N[N-]N=N1	REAL300020161479	0	46	-1.0	-55.61	398.61	3.62	-51.99
CSCC[C@H](NC(=O)CCC1=C(C)NC(=O)C(C#N)=C1C)C1=NN=N[N-]1	REAL300020161479	1	46	-1.0	-55.62	398.67	3.63	-51.99
CSCC[C@H](NC(=O)C1=C(Cl)C2=C(SC=C2)S1)C1=N[N-]N=N1	REAL300020161480	0	33	-1.0	-45.58	340.54	5.07	-40.51
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=CC(C)=C2)=N1)C1=NN=N[N-]1	REAL300020161481	0	45	-1.0	-51.00	407.29	6.41	-44.59
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=CC(C)=C2)=N1)C1=N[N-]N=N1	REAL300020161481	1	45	-1.0	-50.99	407.23	6.39	-44.60
CSCC[C@H](NC(=O)CN1C=NC2=C(OC3=CC=CC=C32)C1=O)C1=NN=N[N-]1	REAL300020161482	0	44	-1.0	-56.60	395.65	5.78	-50.82
CSCC[C@H](NC(=O)CN1C=NC2=C(OC3=CC=CC=C32)C1=O)C1=N[N-]N=N1	REAL300020161482	1	44	-1.0	-56.59	395.59	5.77	-50.82
COC1=CC(OC)=CC(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161483	0	47	-1.0	-48.12	402.56	4.18	-43.94
COC1=CC(OC)=CC(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161483	1	47	-1.0	-48.13	402.62	4.19	-43.94
CSCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL300020161484	0	47	-1.0	-46.99	362.34	6.00	-40.99
CSCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL300020161484	1	47	-1.0	-47.03	362.39	6.03	-41.00
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1C	REAL300020161485	0	40	-1.0	-47.13	347.06	4.12	-43.01
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1C	REAL300020161485	1	40	-1.0	-47.13	347.12	4.14	-42.99
CSCC[C@H](NC(=O)C1C2=CC=CC=C2OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161486	0	45	-1.0	-52.38	387.10	7.25	-45.13
CSCC[C@H](NC(=O)C1C2=CC=CC=C2OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161486	1	45	-1.0	-52.40	387.15	7.27	-45.13
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161487	0	44	-1.0	-54.51	385.77	8.14	-46.37
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161487	1	44	-1.0	-54.46	385.82	8.16	-46.30
CSCC[C@H](NC(=O)C1(C2=CC=C(Cl)C=C2)CCCC1)C1=N[N-]N=N1	REAL300020161488	0	46	-1.0	-45.15	392.23	7.79	-37.36
CSCC[C@H](NC(=O)C1(C2=CC=C(Cl)C=C2)CCCC1)C1=NN=N[N-]1	REAL300020161488	1	46	-1.0	-45.17	392.29	7.81	-37.36
CSCC[C@H](NC(=O)COC1=CC=C(N2CCCC2=O)C=C1)C1=N[N-]N=N1	REAL300020161489	0	48	-1.0	-54.69	408.89	5.76	-48.93
CSCC[C@H](NC(=O)COC1=CC=C(N2CCCC2=O)C=C1)C1=NN=N[N-]1	REAL300020161489	1	48	-1.0	-54.69	408.95	5.78	-48.91
CSCC[C@H](NC(=O)CCC1=CC=C(C2=CC=CC=C2F)O1)C1=N[N-]N=N1	REAL300020161490	0	46	-1.0	-52.30	412.20	7.56	-44.74
CSCC[C@H](NC(=O)CCC1=CC=C(C2=CC=CC=C2F)O1)C1=NN=N[N-]1	REAL300020161490	1	46	-1.0	-52.39	412.26	7.57	-44.82
CSCC[C@H](NC(=O)C1COC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020161491	0	41	-1.0	-44.50	352.03	4.62	-39.88
CSCC[C@H](NC(=O)C1COC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020161491	1	41	-1.0	-44.50	352.09	4.63	-39.87
CSCC[C@H](NC(=O)CCC1=CC(C(C)=O)=C(C)O1)C1=N[N-]N=N1	REAL300020161492	0	44	-1.0	-48.42	388.27	5.10	-43.32
CSCC[C@H](NC(=O)CCC1=CC(C(C)=O)=C(C)O1)C1=NN=N[N-]1	REAL300020161492	1	44	-1.0	-48.44	388.33	5.11	-43.33
CSCC[C@H](NC(=O)C(=O)C1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL300020161493	0	41	-1.0	-45.48	367.98	2.78	-42.70
CSCC[C@H](NC(=O)C(=O)C1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL300020161493	1	41	-1.0	-45.51	368.04	2.80	-42.71
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020161494	0	43	-1.0	-49.14	367.22	5.73	-43.41
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020161494	1	43	-1.0	-49.14	367.17	5.71	-43.43
CSCC[C@H](NC(=O)C1COC2=CC=C(Cl)C=C2C1)C1=N[N-]N=N1	REAL300020161495	0	41	-1.0	-44.17	368.89	5.11	-39.06
CSCC[C@H](NC(=O)C1COC2=CC=C(Cl)C=C2C1)C1=NN=N[N-]1	REAL300020161495	1	41	-1.0	-44.17	368.95	5.13	-39.04
CSCC[C@H](NC(=O)C1=CC(C2=CSC(C)=N2)=CN1)C1=N[N-]N=N1	REAL300020161496	0	40	-1.0	-54.20	371.92	3.30	-50.90
CSCC[C@H](NC(=O)C1=CC(C2=CSC(C)=N2)=CN1)C1=NN=N[N-]1	REAL300020161496	1	40	-1.0	-54.19	371.97	3.31	-50.88
CSCC[C@H](NC(=O)C1=CC=CC=C1NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161497	0	45	-1.0	-49.48	386.27	6.62	-42.86
CSCC[C@H](NC(=O)C1=CC=CC=C1NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161497	1	45	-1.0	-49.48	386.33	6.64	-42.84
CSCC[C@H](NC(=O)CCC1=C(C)N(CC(C)C)N=C1C)C1=N[N-]N=N1	REAL300020161498	0	54	-1.0	-48.86	440.49	6.28	-42.58
CSCC[C@H](NC(=O)CCC1=C(C)N(CC(C)C)N=C1C)C1=NN=N[N-]1	REAL300020161498	1	54	-1.0	-48.85	440.55	6.29	-42.56
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C)=CC1=O)C1=N[N-]N=N1	REAL300020161499	0	45	-1.0	-60.80	393.94	6.75	-54.05
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C)=CC1=O)C1=NN=N[N-]1	REAL300020161499	1	45	-1.0	-60.81	394.00	6.76	-54.05
CSCC[C@H](NC(=O)CC1=C(C)NN=C1C)C1=N[N-]N=N1	REAL300020161500	0	39	-1.0	-48.35	342.71	2.30	-46.05
CSCC[C@H](NC(=O)CC1=C(C)NN=C1C)C1=NN=N[N-]1	REAL300020161500	1	39	-1.0	-48.34	342.76	2.32	-46.02
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL300020161501	0	39	-1.0	-45.77	348.56	3.40	-42.37
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL300020161501	1	39	-1.0	-45.77	348.62	3.42	-42.35
CSCC[C@H](NC(=O)CCC1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020161502	0	42	-1.0	-49.51	369.81	4.26	-45.25
CSCC[C@H](NC(=O)CCC1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020161502	1	42	-1.0	-49.49	369.86	4.28	-45.21
CSCC[C@H](NC(=O)CC1=C(C)N2N=C(N)N=C2N=C1C)C1=N[N-]N=N1	REAL300020161503	0	45	-1.0	-56.46	389.52	6.34	-50.12
CSCC[C@H](NC(=O)CC1=C(C)N2N=C(N)N=C2N=C1C)C1=NN=N[N-]1	REAL300020161503	1	45	-1.0	-56.45	389.58	6.36	-50.09
CSCC[C@H](NC(=O)C1=CC2=C(S1)C1=C(C=CC=C1)S2)C1=N[N-]N=N1	REAL300020161504	0	39	-1.0	-46.45	374.24	7.00	-39.45
CSCC[C@H](NC(=O)C1=CC2=C(S1)C1=C(C=CC=C1)S2)C1=NN=N[N-]1	REAL300020161504	1	39	-1.0	-46.48	374.30	7.02	-39.46
CSCC[C@H](NC(=O)CCC1=NC(C2=CSC=C2)=NO1)C1=NN=N[N-]1	REAL300020161505	0	41	-1.0	-46.04	384.72	3.11	-42.93
CSCC[C@H](NC(=O)CCC1=NC(C2=CSC=C2)=NO1)C1=N[N-]N=N1	REAL300020161505	1	41	-1.0	-46.08	384.66	3.09	-42.99
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C(C)=O)C=C2)O1)C1=N[N-]N=N1	REAL300020161506	0	45	-1.0	-51.22	402.22	6.24	-44.98
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C(C)=O)C=C2)O1)C1=NN=N[N-]1	REAL300020161506	1	45	-1.0	-51.22	402.28	6.26	-44.96
CSCC[C@H](NC(=O)C1=C(C)C2=C(O1)C1=C(C=CC=C1)C=C2)C1=N[N-]N=N1	REAL300020161507	0	45	-1.0	-47.78	392.53	7.43	-40.35
CSCC[C@H](NC(=O)C1=C(C)C2=C(O1)C1=C(C=CC=C1)C=C2)C1=NN=N[N-]1	REAL300020161507	1	45	-1.0	-47.78	392.58	7.45	-40.33
CSCC[C@H](NC(=O)C1=CC=CC=C1NC1=CC=CC(C)=C1C)C1=N[N-]N=N1	REAL300020161508	0	51	-1.0	-51.22	421.60	7.96	-43.26
CSCC[C@H](NC(=O)C1=CC=CC=C1NC1=CC=CC(C)=C1C)C1=NN=N[N-]1	REAL300020161508	1	51	-1.0	-51.18	421.66	7.98	-43.20
CSCC[C@H](NC(=O)CCC1=CC=C(N(C)C)C=C1)C1=N[N-]N=N1	REAL300020161509	0	47	-1.0	-46.74	395.07	5.97	-40.77
CSCC[C@H](NC(=O)CCC1=CC=C(N(C)C)C=C1)C1=NN=N[N-]1	REAL300020161509	1	47	-1.0	-46.74	395.12	5.99	-40.75
CSCC[C@H](NC(=O)C1=C(N)SN=C1C)C1=N[N-]N=N1	REAL300020161510	0	34	-1.0	-41.50	321.07	0.11	-41.39
CSCC[C@H](NC(=O)C1=C(N)SN=C1C)C1=NN=N[N-]1	REAL300020161510	1	34	-1.0	-41.49	321.13	0.13	-41.36
CSCC[C@H](NC(=O)C1=C(C)C=C(C)N=C1Cl)C1=N[N-]N=N1	REAL300020161511	0	38	-1.0	-45.03	353.37	3.68	-41.35
CSCC[C@H](NC(=O)C1=C(C)C=C(C)N=C1Cl)C1=NN=N[N-]1	REAL300020161511	1	38	-1.0	-45.02	353.43	3.69	-41.33
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020161512	0	39	-1.0	-46.39	346.53	5.17	-41.22
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020161512	1	39	-1.0	-46.35	346.59	5.19	-41.16
CNC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=NS1	REAL300020161513	0	37	-1.0	-42.23	342.96	1.14	-41.09
CNC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=NS1	REAL300020161513	1	37	-1.0	-42.26	343.02	1.16	-41.10
CSCC[C@H](NC(=O)CC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020161514	0	49	-1.0	-55.09	418.48	6.86	-48.23
CSCC[C@H](NC(=O)CC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020161514	1	49	-1.0	-55.10	418.53	6.87	-48.23
CSCC[C@H](NC(=O)C(NC(=O)CC1=CC=CC=C1)C(C)C)C1=N[N-]N=N1	REAL300020161515	0	52	-1.0	-43.50	433.06	5.46	-38.04
CSCC[C@H](NC(=O)C(NC(=O)CC1=CC=CC=C1)C(C)C)C1=NN=N[N-]1	REAL300020161515	1	52	-1.0	-43.49	433.11	5.48	-38.01
CCOC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161516	0	44	-1.0	-51.57	386.49	3.25	-48.32
CCOC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161516	1	44	-1.0	-51.55	386.54	3.26	-48.29
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020161517	0	42	-1.0	-46.01	387.37	6.32	-39.69
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020161517	1	42	-1.0	-46.05	387.30	6.30	-39.75
CSCC[C@H](NC(=O)C1CCCN(C(C)=O)C1)C1=N[N-]N=N1	REAL300020161518	0	43	-1.0	-49.80	358.95	3.14	-46.66
CSCC[C@H](NC(=O)C1CCCN(C(C)=O)C1)C1=NN=N[N-]1	REAL300020161518	1	43	-1.0	-49.81	359.01	3.15	-46.66
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCCC1)C1=N[N-]N=N1	REAL300020161519	0	47	-1.0	-48.31	401.15	6.40	-41.91
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCCC1)C1=NN=N[N-]1	REAL300020161519	1	47	-1.0	-48.30	401.20	6.41	-41.89
CCS(=O)(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020161520	0	47	-1.0	-48.77	399.63	1.64	-47.13
CCS(=O)(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020161520	1	47	-1.0	-48.78	399.69	1.66	-47.12
CSCC[C@H](NC(=O)CC1=CSC(N2CCCC2=O)=N1)C1=N[N-]N=N1	REAL300020161521	0	43	-1.0	-56.97	390.19	4.20	-52.77
CSCC[C@H](NC(=O)CC1=CSC(N2CCCC2=O)=N1)C1=NN=N[N-]1	REAL300020161521	1	43	-1.0	-56.99	390.25	4.22	-52.77
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1N(C)C)C1=N[N-]N=N1	REAL300020161522	0	43	-1.0	-46.87	377.87	5.39	-41.48
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1N(C)C)C1=NN=N[N-]1	REAL300020161522	1	43	-1.0	-46.84	377.93	5.41	-41.43
CSCC[C@H](NC(=O)CCN1C(=O)OC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300020161523	0	42	-1.0	-44.10	393.38	5.57	-38.53
CSCC[C@H](NC(=O)CCN1C(=O)OC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300020161523	1	42	-1.0	-44.10	393.44	5.58	-38.52
CSCC[C@H](NC(=O)CN1C(C)=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161524	0	43	-1.0	-51.37	374.39	6.68	-44.69
CSCC[C@H](NC(=O)CN1C(C)=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161524	1	43	-1.0	-51.39	374.45	6.69	-44.70
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020161525	0	49	-1.0	-50.24	422.66	6.53	-43.71
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020161525	1	49	-1.0	-50.28	422.72	6.55	-43.73
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020161526	0	46	-1.0	-47.28	401.58	6.17	-41.11
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020161526	1	46	-1.0	-47.28	401.64	6.18	-41.10
CSCC[C@H](NC(=O)C1=C(Cl)N(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020161527	0	43	-1.0	-48.01	397.09	6.04	-41.97
CSCC[C@H](NC(=O)C1=C(Cl)N(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020161527	1	43	-1.0	-48.06	397.15	6.05	-42.01
CSCC[C@H](NC(=O)C1=CC=CC=C1N1CCCC1=O)C1=N[N-]N=N1	REAL300020161528	0	44	-1.0	-58.32	377.67	6.13	-52.19
CSCC[C@H](NC(=O)C1=CC=CC=C1N1CCCC1=O)C1=NN=N[N-]1	REAL300020161528	1	44	-1.0	-58.36	377.73	6.15	-52.21
CSCC[C@H](NC(=O)C1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020161529	0	36	-1.0	-49.45	325.98	-0.34	-49.79
CSCC[C@H](NC(=O)C1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020161529	1	36	-1.0	-49.38	326.04	-0.32	-49.70
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N3CCCC3=NC2=C1)C1=N[N-]N=N1	REAL300020161530	0	45	-1.0	-52.73	389.42	5.40	-47.33
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N3CCCC3=NC2=C1)C1=NN=N[N-]1	REAL300020161530	1	45	-1.0	-52.75	389.48	5.41	-47.34
CSCC[C@H](NC(=O)C=CC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020161531	0	50	-1.0	-49.41	433.18	7.57	-41.84
CSCC[C@H](NC(=O)C=CC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020161531	1	50	-1.0	-49.45	433.24	7.59	-41.86
CSCC[C@H](NC(=O)C1=CC(N2CCCC2)=CC=N1)C1=N[N-]N=N1	REAL300020161532	0	44	-1.0	-47.00	373.70	2.95	-44.05
CSCC[C@H](NC(=O)C1=CC(N2CCCC2)=CC=N1)C1=NN=N[N-]1	REAL300020161532	1	44	-1.0	-47.04	373.76	2.96	-44.08
CSCC[C@H](NC(=O)C1=CC2=NC(C)=C(C)N=C2C=C1)C1=N[N-]N=N1	REAL300020161533	0	43	-1.0	-51.07	372.34	3.65	-47.42
CSCC[C@H](NC(=O)C1=CC2=NC(C)=C(C)N=C2C=C1)C1=NN=N[N-]1	REAL300020161533	1	43	-1.0	-51.08	372.39	3.67	-47.41
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL300020161534	0	41	-1.0	-52.39	380.89	3.97	-48.42
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL300020161534	1	41	-1.0	-52.41	380.84	3.96	-48.45
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL300020161535	0	39	-1.0	-51.13	377.49	4.76	-46.37
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL300020161535	1	39	-1.0	-51.10	377.43	4.75	-46.35
CCC1=CC=C(C2=NC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CS2)C=C1	REAL300020161536	0	45	-1.0	-47.00	407.73	6.35	-40.65
CCC1=CC=C(C2=NC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CS2)C=C1	REAL300020161536	1	45	-1.0	-46.99	407.67	6.33	-40.66
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020161537	0	36	-1.0	-45.59	332.99	4.67	-40.92
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020161537	1	36	-1.0	-45.60	333.05	4.69	-40.91
CSCC[C@H](NC(=O)CCN1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161538	0	42	-1.0	-46.48	370.90	6.34	-40.14
CSCC[C@H](NC(=O)CCN1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161538	1	42	-1.0	-46.48	370.96	6.35	-40.13
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020161539	0	38	-1.0	-49.73	336.80	4.97	-44.76
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020161539	1	38	-1.0	-49.69	336.85	4.99	-44.70
CSCC[C@H](NC(=O)C1=C(Cl)N(CC(C)C)N=C1C)C1=N[N-]N=N1	REAL300020161540	0	45	-1.0	-45.47	403.62	5.12	-40.35
CSCC[C@H](NC(=O)C1=C(Cl)N(CC(C)C)N=C1C)C1=NN=N[N-]1	REAL300020161540	1	45	-1.0	-45.46	403.67	5.14	-40.32
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C1=N[N-]N=N1	REAL300020161541	0	46	-1.0	-48.56	406.73	6.21	-42.35
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C1=NN=N[N-]1	REAL300020161541	1	46	-1.0	-48.55	406.79	6.22	-42.33
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161542	0	42	-1.0	-48.40	377.47	5.76	-42.64
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161542	1	42	-1.0	-48.41	377.41	5.74	-42.67
CCC1=NOC(C)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161543	0	38	-1.0	-45.08	342.35	3.64	-41.44
CCC1=NOC(C)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161543	1	38	-1.0	-45.08	342.41	3.66	-41.42
CSCC[C@H](NC(=O)C1=C(C(C)C)ON=C1C)C1=N[N-]N=N1	REAL300020161544	0	41	-1.0	-42.68	362.59	4.28	-38.40
CSCC[C@H](NC(=O)C1=C(C(C)C)ON=C1C)C1=NN=N[N-]1	REAL300020161544	1	41	-1.0	-42.67	362.64	4.30	-38.37
CSCC[C@H](NC(=O)C1CCCN(C2=CN=CC=N2)C1)C1=NN=N[N-]1	REAL300020161545	0	46	-1.0	-46.94	384.28	2.75	-44.19
CSCC[C@H](NC(=O)C1CCCN(C2=CN=CC=N2)C1)C1=N[N-]N=N1	REAL300020161545	1	46	-1.0	-46.95	384.22	2.74	-44.21
CSCC[C@H](NC(=O)C1=C(C)C2=C(N=CN(C)C2=O)S1)C1=N[N-]N=N1	REAL300020161546	0	41	-1.0	-55.09	369.94	4.60	-50.49
CSCC[C@H](NC(=O)C1=C(C)C2=C(N=CN(C)C2=O)S1)C1=NN=N[N-]1	REAL300020161546	1	41	-1.0	-55.08	370.00	4.62	-50.46
CSCC[C@H](NC(=O)CCC1=NN=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020161547	0	44	-1.0	-47.19	395.10	1.53	-45.66
CSCC[C@H](NC(=O)CCC1=NN=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020161547	1	44	-1.0	-47.17	395.15	1.55	-45.62
CSCC[C@H](NC(=O)CNC1=NS(=O)(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161548	0	42	-1.0	-52.07	386.22	0.43	-51.64
CSCC[C@H](NC(=O)CNC1=NS(=O)(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161548	1	42	-1.0	-52.10	386.28	0.45	-51.65
COC(=O)C1=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)NC(C(C)=O)=C1C	REAL300020161549	0	48	-1.0	-62.49	424.50	4.29	-58.20
COC(=O)C1=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)NC(C(C)=O)=C1C	REAL300020161549	1	48	-1.0	-62.51	424.56	4.30	-58.21
CSCC[C@H](NC(=O)CCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL300020161550	0	39	-1.0	-54.20	348.89	2.21	-51.99
CSCC[C@H](NC(=O)CCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL300020161550	1	39	-1.0	-54.20	348.95	2.23	-51.97
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)S1)C1=N[N-]N=N1	REAL300020161551	0	35	-1.0	-45.53	335.21	3.74	-41.79
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)S1)C1=NN=N[N-]1	REAL300020161551	1	35	-1.0	-45.58	335.27	3.75	-41.83
CSCC[C@H](NC(=O)CCC(=O)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020161552	0	47	-1.0	-46.50	409.81	7.65	-38.85
CSCC[C@H](NC(=O)CCC(=O)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020161552	1	47	-1.0	-46.49	409.87	7.67	-38.82
CSCC[C@H](NC(=O)CC1C2=CC=CC=C2C=CN1C(C)=O)C1=N[N-]N=N1	REAL300020161553	0	48	-1.0	-51.71	402.93	7.83	-43.88
CSCC[C@H](NC(=O)CC1C2=CC=CC=C2C=CN1C(C)=O)C1=NN=N[N-]1	REAL300020161553	1	48	-1.0	-51.68	402.99	7.85	-43.83
CSCC[C@H](NC(=O)CC1C2=CC=CC=C2CCN1C(C)=O)C1=N[N-]N=N1	REAL300020161554	0	50	-1.0	-59.76	407.96	7.48	-52.28
CSCC[C@H](NC(=O)CC1C2=CC=CC=C2CCN1C(C)=O)C1=NN=N[N-]1	REAL300020161554	1	50	-1.0	-59.75	408.02	7.50	-52.25
CSCC[C@H](NC(=O)CCN1CCSC1=O)C1=N[N-]N=N1	REAL300020161555	0	38	-1.0	-48.20	347.06	2.50	-45.70
CSCC[C@H](NC(=O)CCN1CCSC1=O)C1=NN=N[N-]1	REAL300020161555	1	38	-1.0	-48.16	347.12	2.52	-45.64
CSCC[C@H](NC(=O)CN1C2=CC=CC=C2OCCC1=O)C1=N[N-]N=N1	REAL300020161556	0	45	-1.0	-53.31	387.86	4.25	-49.06
CSCC[C@H](NC(=O)CN1C2=CC=CC=C2OCCC1=O)C1=NN=N[N-]1	REAL300020161556	1	45	-1.0	-53.36	387.91	4.26	-49.10
CSCC[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C1=N[N-]N=N1	REAL300020161557	0	38	-1.0	-54.38	344.94	1.69	-52.69
CSCC[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C1=NN=N[N-]1	REAL300020161557	1	38	-1.0	-54.40	344.99	1.70	-52.70
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL300020161558	0	33	-1.0	-44.34	320.20	4.77	-39.57
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL300020161558	1	33	-1.0	-44.36	320.26	4.78	-39.58
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300020161559	0	47	-1.0	-45.75	402.15	6.60	-39.15
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300020161559	1	47	-1.0	-45.73	402.20	6.61	-39.12
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OCC(N)=O	REAL300020161560	0	45	-1.0	-58.01	394.73	1.26	-56.75
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OCC(N)=O	REAL300020161560	1	45	-1.0	-58.02	394.79	1.28	-56.74
CSCC[C@H](NC(=O)CN1C(=O)C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161561	0	41	-1.0	-48.46	364.62	3.53	-44.93
CSCC[C@H](NC(=O)CN1C(=O)C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161561	1	41	-1.0	-48.46	364.56	3.51	-44.95
CSCC[C@H](NC(=O)CN1CSCC1=O)C1=N[N-]N=N1	REAL300020161562	0	35	-1.0	-48.06	326.44	2.14	-45.92
CSCC[C@H](NC(=O)CN1CSCC1=O)C1=NN=N[N-]1	REAL300020161562	1	35	-1.0	-48.05	326.49	2.16	-45.89
CSCC[C@H](NC(=O)CN1C=NC2=C(C=CS2)C1=O)C1=NN=N[N-]1	REAL300020161563	0	38	-1.0	-61.70	358.41	4.39	-57.31
CSCC[C@H](NC(=O)CN1C=NC2=C(C=CS2)C1=O)C1=N[N-]N=N1	REAL300020161563	1	38	-1.0	-61.64	358.35	4.37	-57.27
CSCC[C@H](NC(=O)CCN1C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161564	0	43	-1.0	-44.39	376.36	6.76	-37.63
CSCC[C@H](NC(=O)CCN1C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161564	1	43	-1.0	-44.39	376.42	6.77	-37.62
CSCC[C@H](NC(=O)CC1=NOC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161565	0	38	-1.0	-56.40	345.51	4.09	-52.31
CSCC[C@H](NC(=O)CC1=NOC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161565	1	38	-1.0	-56.45	345.57	4.10	-52.35
CSCC[C@H](NC(=O)CCCNC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020161566	0	46	-1.0	-49.82	406.87	5.16	-44.66
CSCC[C@H](NC(=O)CCCNC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020161566	1	46	-1.0	-49.82	406.93	5.17	-44.65
CCC1=C(C)C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020161567	0	39	-1.0	-45.95	351.32	5.22	-40.73
CCC1=C(C)C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020161567	1	39	-1.0	-45.95	351.38	5.23	-40.72
CSCC[C@H](NC(=O)C1=CC2=C(CCCCCC2)S1)C1=N[N-]N=N1	REAL300020161568	0	46	-1.0	-46.47	378.85	6.59	-39.88
CSCC[C@H](NC(=O)C1=CC2=C(CCCCCC2)S1)C1=NN=N[N-]1	REAL300020161568	1	46	-1.0	-46.46	378.91	6.60	-39.86
CCCC1=C(CC)C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020161569	0	45	-1.0	-45.65	392.56	6.69	-38.96
CCCC1=C(CC)C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020161569	1	45	-1.0	-45.65	392.61	6.70	-38.95
CSCC[C@H](NC(=O)C1=CC2=C(CCC(C(C)(C)C)C2)S1)C1=N[N-]N=N1	REAL300020161570	0	52	-1.0	-45.89	422.38	7.75	-38.14
CSCC[C@H](NC(=O)C1=CC2=C(CCC(C(C)(C)C)C2)S1)C1=NN=N[N-]1	REAL300020161570	1	52	-1.0	-45.90	422.43	7.77	-38.13
CSCC[C@H](NC(=O)C1=CC2=C(CCC(C)C2)S1)C1=N[N-]N=N1	REAL300020161571	0	43	-1.0	-45.90	374.09	6.31	-39.59
CSCC[C@H](NC(=O)C1=CC2=C(CCC(C)C2)S1)C1=NN=N[N-]1	REAL300020161571	1	43	-1.0	-45.90	374.15	6.32	-39.58
CCCC1=C(C)SC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161572	0	42	-1.0	-45.94	371.86	5.92	-40.02
CCCC1=C(C)SC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161572	1	42	-1.0	-45.96	371.92	5.94	-40.02
CSCC[C@H](NC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161573	0	45	-1.0	-50.76	394.47	7.41	-43.35
CSCC[C@H](NC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161573	1	45	-1.0	-50.79	394.53	7.42	-43.37
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL300020161574	0	35	-1.0	-44.11	338.23	5.26	-38.85
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL300020161574	1	35	-1.0	-44.11	338.29	5.28	-38.83
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020161575	0	35	-1.0	-48.83	340.94	5.93	-42.90
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020161575	1	35	-1.0	-48.83	341.00	5.95	-42.88
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020161576	0	36	-1.0	-47.42	349.28	5.99	-41.43
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020161576	1	36	-1.0	-47.46	349.34	6.01	-41.45
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC=C(F)C=C2S1)C1=N[N-]N=N1	REAL300020161577	0	36	-1.0	-44.13	355.68	6.06	-38.07
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC=C(F)C=C2S1)C1=NN=N[N-]1	REAL300020161577	1	36	-1.0	-44.12	355.73	6.08	-38.04
CCCCN1N=C(C)C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1Cl	REAL300020161578	0	49	-1.0	-45.64	438.46	6.50	-39.14
CCCCN1N=C(C)C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1Cl	REAL300020161578	1	49	-1.0	-45.60	438.52	6.52	-39.08
CSCC[C@H](NC(=O)C=CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020161579	0	37	-1.0	-49.76	335.75	3.13	-46.63
CSCC[C@H](NC(=O)C=CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020161579	1	37	-1.0	-49.79	335.81	3.15	-46.64
CSCC[C@H](NC(=O)C(=CC1=CC=CC=C1)NC(C)=O)C1=N[N-]N=N1	REAL300020161580	0	44	-1.0	-56.68	382.80	5.23	-51.45
CSCC[C@H](NC(=O)C(=CC1=CC=CC=C1)NC(C)=O)C1=NN=N[N-]1	REAL300020161580	1	44	-1.0	-56.68	382.85	5.24	-51.44
CSCC[C@H](NC(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020161581	0	43	-1.0	-47.74	384.05	5.71	-42.03
CSCC[C@H](NC(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020161581	1	43	-1.0	-47.73	383.99	5.70	-42.03
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020161582	0	40	-1.0	-47.65	358.56	5.25	-42.40
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020161582	1	40	-1.0	-47.64	358.50	5.23	-42.41
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])N1C)C1=N[N-]N=N1	REAL300020161583	0	36	-1.0	-43.79	328.72	4.97	-38.82
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])N1C)C1=NN=N[N-]1	REAL300020161583	1	36	-1.0	-43.80	328.77	4.98	-38.82
CSCC[C@H](NC(=O)C1=CNC2=CC([N+](=O)[O-])=CC=C12)C1=N[N-]N=N1	REAL300020161584	0	39	-1.0	-52.07	358.06	4.73	-47.34
CSCC[C@H](NC(=O)C1=CNC2=CC([N+](=O)[O-])=CC=C12)C1=NN=N[N-]1	REAL300020161584	1	39	-1.0	-52.15	358.12	4.75	-47.40
CSCC[C@H](NC(=O)C1=CC=NC(Cl)=C1)C1=NN=N[N-]1	REAL300020161585	0	32	-1.0	-42.61	309.65	2.75	-39.86
CSCC[C@H](NC(=O)C1=CC=NC(Cl)=C1)C1=N[N-]N=N1	REAL300020161585	1	32	-1.0	-42.65	309.59	2.74	-39.91
CSCC[C@H](NC(=O)CN1C=NC2=C(C(C)=C(C)S2)C1=O)C1=N[N-]N=N1	REAL300020161586	0	44	-1.0	-61.74	396.19	5.79	-55.95
CSCC[C@H](NC(=O)CN1C=NC2=C(C(C)=C(C)S2)C1=O)C1=NN=N[N-]1	REAL300020161586	1	44	-1.0	-61.78	396.24	5.80	-55.98
CSCC[C@H](NC(=O)C1=CC=CC=C1SCC1=CC=CO1)C1=N[N-]N=N1	REAL300020161587	0	44	-1.0	-52.44	395.38	7.10	-45.34
CSCC[C@H](NC(=O)C1=CC=CC=C1SCC1=CC=CO1)C1=NN=N[N-]1	REAL300020161587	1	44	-1.0	-52.40	395.43	7.11	-45.29
COC1=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1C	REAL300020161588	0	43	-1.0	-47.82	371.74	4.80	-43.02
COC1=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1C	REAL300020161588	1	43	-1.0	-47.83	371.80	4.82	-43.01
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL300020161589	0	40	-1.0	-56.19	356.64	5.77	-50.42
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL300020161589	1	40	-1.0	-56.19	356.69	5.78	-50.41
CSCC[C@H](NC(=O)C1CC(=O)N(C2CCCC2)C1)C1=N[N-]N=N1	REAL300020161590	0	47	-1.0	-58.13	385.45	4.45	-53.68
CSCC[C@H](NC(=O)C1CC(=O)N(C2CCCC2)C1)C1=NN=N[N-]1	REAL300020161590	1	47	-1.0	-58.14	385.51	4.47	-53.67
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020161591	0	36	-1.0	-44.46	324.70	0.83	-43.63
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020161591	1	36	-1.0	-44.46	324.64	0.82	-43.64
CSCC[C@H](NC(=O)C1=CC2=NNN=C2C=C1)C1=N[N-]N=N1	REAL300020161592	0	35	-1.0	-47.22	317.34	1.37	-45.85
CSCC[C@H](NC(=O)C1=CC2=NNN=C2C=C1)C1=NN=N[N-]1	REAL300020161592	1	35	-1.0	-47.22	317.40	1.38	-45.84
CSCC[C@H](NC(=O)C1=CC=C(CCNS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020161593	0	47	-1.0	-56.61	418.96	1.68	-54.93
CSCC[C@H](NC(=O)C1=CC=C(CCNS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020161593	1	47	-1.0	-56.63	419.01	1.69	-54.94
CSCC[C@H](NC(=O)CC1=COC2=CC(C)=C(C)C=C12)C1=N[N-]N=N1	REAL300020161594	0	45	-1.0	-52.14	388.38	6.33	-45.81
CSCC[C@H](NC(=O)CC1=COC2=CC(C)=C(C)C=C12)C1=NN=N[N-]1	REAL300020161594	1	45	-1.0	-52.17	388.44	6.34	-45.83
CSCC[C@H](NC(=O)C1=CC2=C(S1)C1=CC=CC=C1CC2)C1=N[N-]N=N1	REAL300020161595	0	44	-1.0	-47.18	391.56	7.87	-39.31
CSCC[C@H](NC(=O)C1=CC2=C(S1)C1=CC=CC=C1CC2)C1=NN=N[N-]1	REAL300020161595	1	44	-1.0	-47.21	391.62	7.89	-39.32
CSCC[C@H](NC(=O)C1=CC2=C(S1)C1=CC=CC=C1OC2)C1=N[N-]N=N1	REAL300020161596	0	42	-1.0	-47.51	382.89	6.04	-41.47
CSCC[C@H](NC(=O)C1=CC2=C(S1)C1=CC=CC=C1OC2)C1=NN=N[N-]1	REAL300020161596	1	42	-1.0	-47.49	382.95	6.05	-41.44
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=N[N-]N=N1	REAL300020161597	0	39	-1.0	-49.88	371.36	2.02	-47.86
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=NN=N[N-]1	REAL300020161597	1	39	-1.0	-49.88	371.42	2.04	-47.84
CSCC[C@H](NC(=O)C1=C(C)OC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020161598	0	42	-1.0	-46.03	375.76	3.37	-42.66
CSCC[C@H](NC(=O)C1=C(C)OC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020161598	1	42	-1.0	-45.99	375.70	3.36	-42.63
CSCC[C@H](NC(=O)CCCC1=NC2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL300020161599	0	47	-1.0	-55.78	409.63	4.82	-50.96
CSCC[C@H](NC(=O)CCCC1=NC2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL300020161599	1	47	-1.0	-55.83	409.69	4.84	-50.99
CSCC[C@H](NC(=O)CCC1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL300020161600	0	45	-1.0	-47.23	385.44	4.34	-42.89
CSCC[C@H](NC(=O)CCC1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL300020161600	1	45	-1.0	-47.21	385.50	4.35	-42.86
CSCC[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C1=N[N-]N=N1	REAL300020161601	0	48	-1.0	-52.41	402.56	2.82	-49.59
CSCC[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C1=NN=N[N-]1	REAL300020161601	1	48	-1.0	-52.40	402.62	2.83	-49.57
CSCC[C@H](NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1=N[N-]N=N1	REAL300020161602	0	45	-1.0	-53.36	391.87	2.73	-50.63
CSCC[C@H](NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1=NN=N[N-]1	REAL300020161602	1	45	-1.0	-53.37	391.92	2.75	-50.62
CSCC[C@H](NC(=O)C=CC1=CC=C(C2CC2C)O1)C1=N[N-]N=N1	REAL300020161603	0	44	-1.0	-48.38	384.80	6.44	-41.94
CSCC[C@H](NC(=O)C=CC1=CC=C(C2CC2C)O1)C1=NN=N[N-]1	REAL300020161603	1	44	-1.0	-48.40	384.86	6.46	-41.94
COC1=CC(C#N)=CC=C1OCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161604	0	42	-1.0	-53.26	381.11	4.81	-48.45
COC1=CC(C#N)=CC=C1OCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161604	1	42	-1.0	-53.26	381.17	4.82	-48.44
CSCC[C@H](NC(=O)CN1C=NC2=C(C)C=CC=C2C1=O)C1=NN=N[N-]1	REAL300020161605	0	44	-1.0	-51.48	388.03	6.13	-45.35
CSCC[C@H](NC(=O)CN1C=NC2=C(C)C=CC=C2C1=O)C1=N[N-]N=N1	REAL300020161605	1	44	-1.0	-51.54	387.97	6.11	-45.43
CCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020161606	0	43	-1.0	-54.63	374.24	6.69	-47.94
CCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020161606	1	43	-1.0	-54.62	374.18	6.68	-47.94
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL300020161607	0	44	-1.0	-45.59	392.57	7.02	-38.57
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL300020161607	1	44	-1.0	-45.59	392.63	7.03	-38.56
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020161608	0	45	-1.0	-46.88	385.63	6.61	-40.27
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020161608	1	45	-1.0	-46.89	385.57	6.60	-40.29
CSCC[C@H](NC(=O)CCC1=CC=C(C2CC2C)O1)C1=N[N-]N=N1	REAL300020161609	0	46	-1.0	-46.94	396.42	6.76	-40.18
CSCC[C@H](NC(=O)CCC1=CC=C(C2CC2C)O1)C1=NN=N[N-]1	REAL300020161609	1	46	-1.0	-46.96	396.48	6.78	-40.18
CSCC[C@H](NC(=O)CCN1N=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020161610	0	43	-1.0	-50.27	385.07	2.90	-47.37
CSCC[C@H](NC(=O)CCN1N=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020161610	1	43	-1.0	-50.27	385.13	2.92	-47.35
CSCC[C@H](NC(=O)CC1=COC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020161611	0	42	-1.0	-53.27	378.04	3.38	-49.89
CSCC[C@H](NC(=O)CC1=COC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020161611	1	42	-1.0	-53.28	377.99	3.36	-49.92
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020161612	0	39	-1.0	-44.84	356.23	5.13	-39.71
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020161612	1	39	-1.0	-44.83	356.17	5.12	-39.71
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=N1)C1=N[N-]N=N1	REAL300020161613	0	42	-1.0	-51.91	379.20	5.66	-46.25
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=N1)C1=NN=N[N-]1	REAL300020161613	1	42	-1.0	-51.92	379.25	5.68	-46.24
CSCC[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1=N[N-]N=N1	REAL300020161614	0	41	-1.0	-83.87	367.17	1.84	-82.03
CSCC[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1=NN=N[N-]1	REAL300020161614	1	41	-1.0	-83.91	367.23	1.85	-82.06
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CS2)N=C1C)C1=NN=N[N-]1	REAL300020161615	0	42	-1.0	-45.42	378.34	5.66	-39.76
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CS2)N=C1C)C1=N[N-]N=N1	REAL300020161615	1	42	-1.0	-45.40	378.28	5.65	-39.75
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C1=N[N-]N=N1	REAL300020161616	0	44	-1.0	-52.90	376.46	5.14	-47.76
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C1=NN=N[N-]1	REAL300020161616	1	44	-1.0	-52.93	376.51	5.15	-47.78
CSCC[C@H](NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020161617	0	45	-1.0	-58.73	393.88	2.61	-56.12
CSCC[C@H](NC(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020161617	1	45	-1.0	-58.73	393.94	2.62	-56.11
CSCC[C@H](NC(=O)CN1N=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020161618	0	40	-1.0	-58.43	364.04	2.39	-56.04
CSCC[C@H](NC(=O)CN1N=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020161618	1	40	-1.0	-58.42	364.10	2.41	-56.01
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C([N+](=O)[O-])C=C1OC	REAL300020161619	0	46	-1.0	-53.96	402.31	5.91	-48.05
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C([N+](=O)[O-])C=C1OC	REAL300020161619	1	46	-1.0	-53.94	402.37	5.93	-48.01
CSCC[C@H](NC(=O)C1CCCN(C(N)=O)C1)C1=N[N-]N=N1	REAL300020161620	0	42	-1.0	-50.07	351.18	0.55	-49.52
CSCC[C@H](NC(=O)C1CCCN(C(N)=O)C1)C1=NN=N[N-]1	REAL300020161620	1	42	-1.0	-50.10	351.24	0.56	-49.54
CSCC[C@H](NC(=O)CN1C2=CC=CC=C2N=C1CSC)C1=N[N-]N=N1	REAL300020161621	0	46	-1.0	-51.15	414.83	6.67	-44.48
CSCC[C@H](NC(=O)CN1C2=CC=CC=C2N=C1CSC)C1=NN=N[N-]1	REAL300020161621	1	46	-1.0	-51.13	414.89	6.69	-44.44
CSCC[C@H](NC(=O)C1=NN(C)C(=O)CC1)C1=N[N-]N=N1	REAL300020161622	0	37	-1.0	-42.65	329.22	1.27	-41.38
CSCC[C@H](NC(=O)C1=NN(C)C(=O)CC1)C1=NN=N[N-]1	REAL300020161622	1	37	-1.0	-42.61	329.28	1.29	-41.32
CSCC[C@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)C1=N[N-]N=N1	REAL300020161623	0	51	-1.0	-54.16	418.55	3.10	-51.06
CSCC[C@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)C1=NN=N[N-]1	REAL300020161623	1	51	-1.0	-54.15	418.61	3.11	-51.04
CSCC[C@H](NC(=O)C1=CC2=C(Cl)C=CC=C2S1)C1=N[N-]N=N1	REAL300020161624	0	36	-1.0	-47.41	352.51	5.96	-41.45
CSCC[C@H](NC(=O)C1=CC2=C(Cl)C=CC=C2S1)C1=NN=N[N-]1	REAL300020161624	1	36	-1.0	-47.45	352.57	5.97	-41.48
CSCC[C@H](NC(=O)CN1N=NC(C2=CC=C(C)C=C2)=N1)C1=N[N-]N=N1	REAL300020161625	0	44	-1.0	-53.14	395.24	4.45	-48.69
CSCC[C@H](NC(=O)CN1N=NC(C2=CC=C(C)C=C2)=N1)C1=NN=N[N-]1	REAL300020161625	1	44	-1.0	-53.17	395.30	4.47	-48.70
CSCC[C@H](NC(=O)CCC1=NC(C2=CC=CS2)=NO1)C1=NN=N[N-]1	REAL300020161626	0	41	-1.0	-46.28	385.41	3.22	-43.06
CSCC[C@H](NC(=O)CCC1=NC(C2=CC=CS2)=NO1)C1=N[N-]N=N1	REAL300020161626	1	41	-1.0	-46.29	385.36	3.21	-43.08
COC1=CC=C(Cl)C=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161627	0	40	-1.0	-47.51	367.19	4.63	-42.88
COC1=CC=C(Cl)C=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161627	1	40	-1.0	-47.50	367.25	4.64	-42.86
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300020161628	0	33	-1.0	-47.36	318.80	4.68	-42.68
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300020161628	1	33	-1.0	-47.42	318.86	4.70	-42.72
CSCC[C@H](NC(=O)C=CC1=CC=C(OCC(N)=O)C=C1)C1=N[N-]N=N1	REAL300020161629	0	45	-1.0	-55.94	400.07	2.69	-53.25
CSCC[C@H](NC(=O)C=CC1=CC=C(OCC(N)=O)C=C1)C1=NN=N[N-]1	REAL300020161629	1	45	-1.0	-55.91	400.12	2.71	-53.20
COCCN1N=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CC1=O	REAL300020161630	0	42	-1.0	-44.94	375.23	1.19	-43.75
COCCN1N=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CC1=O	REAL300020161630	1	42	-1.0	-44.93	375.29	1.21	-43.72
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC(N)=O)C1=N[N-]N=N1	REAL300020161631	0	41	-1.0	-66.53	363.44	2.46	-64.07
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC(N)=O)C1=NN=N[N-]1	REAL300020161631	1	41	-1.0	-66.53	363.50	2.47	-64.06
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2)S1)C1=N[N-]N=N1	REAL300020161632	0	40	-1.0	-45.48	384.37	7.29	-38.19
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(Cl)C=C2)S1)C1=NN=N[N-]1	REAL300020161632	1	40	-1.0	-45.49	384.43	7.31	-38.18
CSCC[C@H](NC(=O)C1=CC2=C(F)C=CC=C2S1)C1=N[N-]N=N1	REAL300020161633	0	36	-1.0	-48.36	343.01	5.55	-42.81
CSCC[C@H](NC(=O)C1=CC2=C(F)C=CC=C2S1)C1=NN=N[N-]1	REAL300020161633	1	36	-1.0	-48.31	343.07	5.57	-42.74
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020161634	0	40	-1.0	-46.45	367.65	6.78	-39.67
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020161634	1	40	-1.0	-46.43	367.71	6.80	-39.63
CSCC[C@H](NC(=O)C1=CN2C(=N1)C=CC=C2C)C1=NN=N[N-]1	REAL300020161635	0	39	-1.0	-51.47	347.97	5.03	-46.44
CSCC[C@H](NC(=O)C1=CN2C(=N1)C=CC=C2C)C1=N[N-]N=N1	REAL300020161635	1	39	-1.0	-51.49	347.92	5.02	-46.47
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=CC(F)=C2)=N1)C1=NN=N[N-]1	REAL300020161636	0	42	-1.0	-52.11	392.30	5.81	-46.30
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=CC(F)=C2)=N1)C1=N[N-]N=N1	REAL300020161636	1	42	-1.0	-52.08	392.24	5.79	-46.29
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020161637	0	39	-1.0	-45.56	356.56	3.73	-41.83
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020161637	1	39	-1.0	-45.55	356.50	3.72	-41.83
CSCC[C@H](NC(=O)C1=C(C)C2=C(CC(C)(C)CC2=O)N1)C1=N[N-]N=N1	REAL300020161638	0	49	-1.0	-52.78	403.63	5.03	-47.75
CSCC[C@H](NC(=O)C1=C(C)C2=C(CC(C)(C)CC2=O)N1)C1=NN=N[N-]1	REAL300020161638	1	49	-1.0	-52.74	403.69	5.05	-47.69
CSCC[C@H](NC(=O)C1=C(C)C(C(=O)OC(C)C)=C(C)N1)C1=N[N-]N=N1	REAL300020161639	0	49	-1.0	-48.97	422.48	5.47	-43.50
CSCC[C@H](NC(=O)C1=C(C)C(C(=O)OC(C)C)=C(C)N1)C1=NN=N[N-]1	REAL300020161639	1	49	-1.0	-48.97	422.54	5.48	-43.49
CCC1=C(C(=O)OC)C(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N1	REAL300020161640	0	46	-1.0	-48.20	402.05	4.58	-43.62
CCC1=C(C(=O)OC)C(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N1	REAL300020161640	1	46	-1.0	-48.23	402.11	4.59	-43.64
CSCC[C@H](NC(=O)C1=C(C)C2=C(CCCC2=O)N1)C1=N[N-]N=N1	REAL300020161641	0	43	-1.0	-53.71	366.34	4.11	-49.60
CSCC[C@H](NC(=O)C1=C(C)C2=C(CCCC2=O)N1)C1=NN=N[N-]1	REAL300020161641	1	43	-1.0	-53.70	366.40	4.12	-49.58
CSCC[C@H](NC(=O)C1=CC2=CC(F)=CC=C2S1)C1=N[N-]N=N1	REAL300020161642	0	36	-1.0	-44.69	343.03	5.56	-39.13
CSCC[C@H](NC(=O)C1=CC2=CC(F)=CC=C2S1)C1=NN=N[N-]1	REAL300020161642	1	36	-1.0	-44.70	343.09	5.58	-39.12
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161643	0	47	-1.0	-45.77	396.99	7.28	-38.49
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161643	1	47	-1.0	-45.76	397.05	7.30	-38.46
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL300020161644	0	41	-1.0	-56.35	381.22	3.86	-52.49
CSCC[C@H](NC(=O)CC1=CSC(C2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL300020161644	1	41	-1.0	-56.37	381.28	3.87	-52.50
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1F)C1=N[N-]N=N1	REAL300020161645	0	33	-1.0	-47.20	323.37	4.79	-42.41
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1F)C1=NN=N[N-]1	REAL300020161645	1	33	-1.0	-47.17	323.42	4.80	-42.37
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1F)C1=N[N-]N=N1	REAL300020161646	0	33	-1.0	-47.34	318.81	4.67	-42.67
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1F)C1=NN=N[N-]1	REAL300020161646	1	33	-1.0	-47.35	318.87	4.69	-42.66
CCCCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161647	0	45	-1.0	-46.57	383.41	7.08	-39.49
CCCCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161647	1	45	-1.0	-46.56	383.47	7.09	-39.47
CSCC[C@H](NC(=O)C1=CC=C2CC3=CC=CC=C3C2=C1)C1=N[N-]N=N1	REAL300020161648	0	44	-1.0	-51.16	381.73	8.20	-42.96
CSCC[C@H](NC(=O)C1=CC=C2CC3=CC=CC=C3C2=C1)C1=NN=N[N-]1	REAL300020161648	1	44	-1.0	-51.15	381.79	8.22	-42.93
CSCC[C@H](NC(=O)C1=CSC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020161649	0	35	-1.0	-50.85	345.11	-1.99	-52.84
CSCC[C@H](NC(=O)C1=CSC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020161649	1	35	-1.0	-50.92	345.17	-1.97	-52.89
CSCC[C@H](NC(=O)C1=CC=CC=C1SCC(N)=O)C1=N[N-]N=N1	REAL300020161650	0	41	-1.0	-60.56	370.72	2.02	-58.54
CSCC[C@H](NC(=O)C1=CC=CC=C1SCC(N)=O)C1=NN=N[N-]1	REAL300020161650	1	41	-1.0	-60.57	370.78	2.04	-58.53
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2OC1)C1=N[N-]N=N1	REAL300020161651	0	39	-1.0	-46.51	343.39	4.63	-41.88
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2OC1)C1=NN=N[N-]1	REAL300020161651	1	39	-1.0	-46.50	343.44	4.64	-41.86
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL300020161652	0	39	-1.0	-46.24	371.25	4.97	-41.27
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL300020161652	1	39	-1.0	-46.20	371.19	4.96	-41.24
CSCC[C@H](NC(=O)C1=CC(Cl)=CN1)C1=N[N-]N=N1	REAL300020161653	0	31	-1.0	-46.42	301.71	2.40	-44.02
CSCC[C@H](NC(=O)C1=CC(Cl)=CN1)C1=NN=N[N-]1	REAL300020161653	1	31	-1.0	-46.44	301.77	2.41	-44.03
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CN1)C1=N[N-]N=N1	REAL300020161654	0	33	-1.0	-49.40	314.82	2.61	-46.79
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CN1)C1=NN=N[N-]1	REAL300020161654	1	33	-1.0	-49.39	314.88	2.63	-46.76
CSCC[C@H](NC(=O)COC1=CC=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL300020161655	0	48	-1.0	-63.77	408.38	5.77	-58.00
CSCC[C@H](NC(=O)COC1=CC=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL300020161655	1	48	-1.0	-63.70	408.44	5.78	-57.92
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CN=C1C)C1=N[N-]N=N1	REAL300020161656	0	37	-1.0	-40.76	337.19	3.61	-37.15
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CN=C1C)C1=NN=N[N-]1	REAL300020161656	1	37	-1.0	-40.76	337.25	3.62	-37.14
CCOC1=CC([N+](=O)[O-])=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020161657	0	46	-1.0	-47.50	404.69	5.56	-41.94
CCOC1=CC([N+](=O)[O-])=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020161657	1	46	-1.0	-47.50	404.75	5.58	-41.92
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC1=CSC=N1)C1=N[N-]N=N1	REAL300020161658	0	43	-1.0	-52.44	389.65	5.65	-46.79
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC1=CSC=N1)C1=NN=N[N-]1	REAL300020161658	1	43	-1.0	-52.42	389.70	5.66	-46.76
CSCC[C@H](NC(=O)C1=C(C)OC2=C1C(=O)N(C)C=N2)C1=NN=N[N-]1	REAL300020161659	0	41	-1.0	-57.69	371.25	2.41	-55.28
CSCC[C@H](NC(=O)C1=C(C)OC2=C1C(=O)N(C)C=N2)C1=N[N-]N=N1	REAL300020161659	1	41	-1.0	-57.68	371.19	2.39	-55.29
CSCC[C@H](NC(=O)C1=CC=CC=C1NC(=O)NC(C)C)C1=N[N-]N=N1	REAL300020161660	0	48	-1.0	-46.09	406.17	3.78	-42.31
CSCC[C@H](NC(=O)C1=CC=CC=C1NC(=O)NC(C)C)C1=NN=N[N-]1	REAL300020161660	1	48	-1.0	-46.06	406.23	3.79	-42.27
CSCC[C@H](NC(=O)C1=CC(Br)=CN1)C1=N[N-]N=N1	REAL300020161661	0	31	-1.0	-46.38	306.34	2.50	-43.88
CSCC[C@H](NC(=O)C1=CC(Br)=CN1)C1=NN=N[N-]1	REAL300020161661	1	31	-1.0	-46.36	306.39	2.52	-43.84
COC1=CC=C(C2=NC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CS2)C=C1	REAL300020161662	0	43	-1.0	-47.34	394.28	4.21	-43.13
COC1=CC=C(C2=NC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CS2)C=C1	REAL300020161662	1	43	-1.0	-47.32	394.23	4.20	-43.12
CSCC[C@H](NC(=O)C1=CN=C2SC=CN2C1=O)C1=N[N-]N=N1	REAL300020161663	0	35	-1.0	-56.11	331.18	3.38	-52.73
CSCC[C@H](NC(=O)C1=CN=C2SCCN2C1=O)C1=NN=N[N-]1	REAL300020161664	0	37	-1.0	-54.79	340.48	3.09	-51.70
CSCC[C@H](NC(=O)C1=CN=C2SCCN2C1=O)C1=N[N-]N=N1	REAL300020161664	1	37	-1.0	-54.82	340.43	3.07	-51.75
CSCC[C@H](NC(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1=N[N-]N=N1	REAL300020161665	0	39	-1.0	-44.85	360.13	5.10	-39.75
CSCC[C@H](NC(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1=NN=N[N-]1	REAL300020161665	1	39	-1.0	-44.85	360.18	5.12	-39.73
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020161666	0	50	-1.0	-50.73	418.20	8.32	-42.41
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020161666	1	50	-1.0	-50.73	418.26	8.33	-42.40
CSCC[C@H](NC(=O)C1=CC=C(C)C(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020161667	0	41	-1.0	-54.70	366.75	-0.26	-54.96
CSCC[C@H](NC(=O)C1=CC=C(C)C(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020161667	1	41	-1.0	-54.75	366.81	-0.25	-55.00
CSCC[C@H](NC(=O)CSCC1=CSC(C)=N1)C1=N[N-]N=N1	REAL300020161668	0	39	-1.0	-51.38	373.17	3.80	-47.58
CSCC[C@H](NC(=O)CSCC1=CSC(C)=N1)C1=NN=N[N-]1	REAL300020161668	1	39	-1.0	-51.32	373.22	3.82	-47.50
CSCC[C@H](NC(=O)C1=C(C)OC(C)=C1C)C1=N[N-]N=N1	REAL300020161669	0	39	-1.0	-46.26	347.50	4.30	-41.96
CSCC[C@H](NC(=O)C1=C(C)OC(C)=C1C)C1=NN=N[N-]1	REAL300020161669	1	39	-1.0	-46.25	347.56	4.31	-41.94
CSCC[C@H](NC(=O)CCSC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020161670	0	40	-1.0	-45.70	368.12	6.06	-39.64
CSCC[C@H](NC(=O)CCSC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020161670	1	40	-1.0	-45.70	368.17	6.08	-39.62
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161671	0	40	-1.0	-44.31	355.38	3.93	-40.38
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161671	1	40	-1.0	-44.30	355.44	3.94	-40.36
C#CCNS(=O)(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161672	0	43	-1.0	-53.73	400.93	1.58	-52.15
C#CCNS(=O)(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161672	1	43	-1.0	-53.75	400.99	1.59	-52.16
CSCC[C@H](NC(=O)C=CC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020161673	0	37	-1.0	-43.92	365.53	6.32	-37.60
CSCC[C@H](NC(=O)C=CC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020161673	1	37	-1.0	-43.94	365.59	6.33	-37.61
COC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020161674	0	43	-1.0	-46.26	379.29	4.94	-41.32
COC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020161674	1	43	-1.0	-46.26	379.35	4.96	-41.30
CSCC[C@H](NC(=O)CSC1=NC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020161675	0	39	-1.0	-49.57	366.21	2.21	-47.36
CSCC[C@H](NC(=O)CSC1=NC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020161675	1	39	-1.0	-49.57	366.16	2.19	-47.38
CSCC[C@H](NC(=O)CSC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020161676	0	37	-1.0	-48.75	355.69	5.67	-43.08
CSCC[C@H](NC(=O)CSC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020161676	1	37	-1.0	-48.73	355.75	5.69	-43.04
CCOC1=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OC	REAL300020161677	0	48	-1.0	-49.00	412.54	5.41	-43.59
CCOC1=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OC	REAL300020161677	1	48	-1.0	-48.99	412.60	5.42	-43.57
COC1=CC=CC(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161678	0	43	-1.0	-46.09	373.06	4.87	-41.22
COC1=CC=CC(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161678	1	43	-1.0	-46.11	373.12	4.88	-41.23
CSCC[C@H](NC(=O)COC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL300020161679	0	37	-1.0	-48.66	363.83	5.71	-42.95
CSCC[C@H](NC(=O)COC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL300020161679	1	37	-1.0	-48.68	363.89	5.72	-42.96
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300020161680	0	33	-1.0	-44.02	329.41	5.05	-38.97
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300020161680	1	33	-1.0	-44.01	329.47	5.07	-38.94
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020161681	0	45	-1.0	-45.96	389.32	3.24	-42.72
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020161681	1	45	-1.0	-45.94	389.38	3.26	-42.68
CSCC[C@H](NC(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020161682	0	38	-1.0	-47.05	347.54	4.33	-42.72
CSCC[C@H](NC(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020161682	1	38	-1.0	-47.06	347.59	4.34	-42.72
COC1=CC2=CC=CC=C2C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161683	0	43	-1.0	-51.34	370.73	6.91	-44.43
COC1=CC2=CC=CC=C2C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161683	1	43	-1.0	-51.38	370.79	6.93	-44.45
CSCC[C@H](NC(=O)COC1=CC=CC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161684	0	47	-1.0	-51.25	409.80	8.34	-42.91
CSCC[C@H](NC(=O)COC1=CC=CC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161684	1	47	-1.0	-51.28	409.86	8.36	-42.92
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161685	0	40	-1.0	-45.58	352.03	4.39	-41.19
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161685	1	40	-1.0	-45.56	352.08	4.40	-41.16
COC1=CC2=NC(C)=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2C=C1	REAL300020161686	0	45	-1.0	-48.35	384.50	4.44	-43.91
COC1=CC2=NC(C)=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2C=C1	REAL300020161686	1	45	-1.0	-48.37	384.56	4.46	-43.91
COC1=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020161687	0	48	-1.0	-50.55	414.06	3.88	-46.67
COC1=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020161687	1	48	-1.0	-50.55	414.12	3.89	-46.66
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1C)C1=N[N-]N=N1	REAL300020161688	0	39	-1.0	-46.33	331.06	5.31	-41.02
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1C)C1=NN=N[N-]1	REAL300020161688	1	39	-1.0	-46.31	331.12	5.32	-40.99
CSCC[C@H](NC(=O)COC1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL300020161689	0	43	-1.0	-49.11	372.56	6.03	-43.08
CSCC[C@H](NC(=O)COC1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL300020161689	1	43	-1.0	-49.10	372.61	6.05	-43.05
CSCC[C@H](NC(=O)C1=CC=C(OCC(C)C)C=C1)C1=N[N-]N=N1	REAL300020161690	0	46	-1.0	-45.94	390.39	5.82	-40.12
CSCC[C@H](NC(=O)C1=CC=C(OCC(C)C)C=C1)C1=NN=N[N-]1	REAL300020161690	1	46	-1.0	-45.94	390.45	5.84	-40.10
CSCC[C@H](NC(=O)C1=C(C)N(CC(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300020161691	0	43	-1.0	-51.08	378.69	5.78	-45.30
CSCC[C@H](NC(=O)C1=C(C)N(CC(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300020161691	1	43	-1.0	-51.04	378.75	5.79	-45.25
CSCC[C@H](NC(=O)CN1N=C(C2=CC=CS2)OC1=O)C1=NN=N[N-]1	REAL300020161692	0	39	-1.0	-56.28	376.66	1.68	-54.60
CSCC[C@H](NC(=O)CN1N=C(C2=CC=CS2)OC1=O)C1=N[N-]N=N1	REAL300020161692	1	39	-1.0	-56.25	376.61	1.66	-54.59
CSCC[C@H](NC(=O)C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300020161693	0	39	-1.0	-47.58	335.90	5.29	-42.29
CSCC[C@H](NC(=O)C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300020161693	1	39	-1.0	-47.57	335.96	5.31	-42.26
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161694	0	40	-1.0	-43.56	362.90	2.65	-40.91
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161694	1	40	-1.0	-43.59	362.96	2.66	-40.93
CSCC[C@H](NC(=O)C(NC(=O)C1=CC=CO1)C(C)C)C1=N[N-]N=N1	REAL300020161695	0	46	-1.0	-47.30	391.70	2.95	-44.35
CSCC[C@H](NC(=O)C(NC(=O)C1=CC=CO1)C(C)C)C1=NN=N[N-]1	REAL300020161695	1	46	-1.0	-47.28	391.76	2.96	-44.32
COC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161696	0	43	-1.0	-46.02	373.06	4.87	-41.15
COC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161696	1	43	-1.0	-46.01	373.11	4.88	-41.13
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020161697	0	39	-1.0	-51.48	358.17	1.62	-49.86
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020161697	1	39	-1.0	-51.47	358.23	1.63	-49.84
CSCC[C@H](NC(=O)CCC1=CC=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020161698	0	46	-1.0	-48.82	403.81	7.44	-41.38
CSCC[C@H](NC(=O)CCC1=CC=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020161698	1	46	-1.0	-48.81	403.87	7.45	-41.36
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C1=N[N-]N=N1	REAL300020161699	0	38	-1.0	-43.31	341.66	5.26	-38.05
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C1=NN=N[N-]1	REAL300020161699	1	38	-1.0	-43.32	341.72	5.27	-38.05
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020161700	0	36	-1.0	-43.67	336.22	5.08	-38.59
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020161700	1	36	-1.0	-43.64	336.28	5.10	-38.54
CSCC[C@H](NC(=O)CC1CC2CCC1C2)C1=N[N-]N=N1	REAL300020161701	0	43	-1.0	-46.04	347.47	5.35	-40.69
CSCC[C@H](NC(=O)CC1CC2CCC1C2)C1=NN=N[N-]1	REAL300020161701	1	43	-1.0	-46.04	347.53	5.37	-40.67
CSCC[C@H](NC(=O)COC1=CC(C)=CC=C1C(C)C)C1=N[N-]N=N1	REAL300020161702	0	49	-1.0	-49.55	411.09	7.29	-42.26
CSCC[C@H](NC(=O)COC1=CC(C)=CC=C1C(C)C)C1=NN=N[N-]1	REAL300020161702	1	49	-1.0	-49.54	411.15	7.30	-42.24
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020161703	0	40	-1.0	-46.06	358.25	4.46	-41.60
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020161703	1	40	-1.0	-46.03	358.31	4.48	-41.55
CSCC[C@H](NC(=O)CCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020161704	0	39	-1.0	-44.37	360.29	6.09	-38.28
CSCC[C@H](NC(=O)CCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020161704	1	39	-1.0	-44.39	360.34	6.10	-38.29
CSCC[C@H](NC(=O)CCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020161705	0	40	-1.0	-46.57	364.41	5.96	-40.61
CSCC[C@H](NC(=O)CCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020161705	1	40	-1.0	-46.61	364.47	5.98	-40.63
CSCC[C@H](NC(=O)CC1=CC(Cl)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020161706	0	42	-1.0	-50.32	382.63	4.45	-45.87
CSCC[C@H](NC(=O)CC1=CC(Cl)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020161706	1	42	-1.0	-50.31	382.69	4.46	-45.85
CSCC[C@H](NC(=O)CCCC1CCCCC1)C1=N[N-]N=N1	REAL300020161707	0	48	-1.0	-45.56	385.83	6.51	-39.05
CSCC[C@H](NC(=O)CCCC1CCCCC1)C1=NN=N[N-]1	REAL300020161707	1	48	-1.0	-45.60	385.89	6.53	-39.07
CSCC[C@H](NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020161708	0	35	-1.0	-50.72	325.73	4.74	-45.98
CSCC[C@H](NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020161708	1	35	-1.0	-50.72	325.79	4.75	-45.97
COC1=CC=CC=C1OCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161709	0	44	-1.0	-47.80	381.27	4.29	-43.51
COC1=CC=CC=C1OCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161709	1	44	-1.0	-47.78	381.33	4.31	-43.47
CSCC[C@H](NC(=O)C1=C(C)N(C2CCCCC2)C(C)=C1)C1=N[N-]N=N1	REAL300020161710	0	53	-1.0	-48.80	416.31	7.68	-41.12
CSCC[C@H](NC(=O)C1=C(C)N(C2CCCCC2)C(C)=C1)C1=NN=N[N-]1	REAL300020161710	1	53	-1.0	-48.78	416.37	7.69	-41.09
CCN1C(C)=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020161711	0	43	-1.0	-49.69	364.59	5.54	-44.15
CCN1C(C)=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020161711	1	43	-1.0	-49.68	364.64	5.55	-44.13
CSCC[C@H](NC(=O)CCC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020161712	0	42	-1.0	-45.50	364.96	6.23	-39.27
CSCC[C@H](NC(=O)CCC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020161712	1	42	-1.0	-45.49	365.02	6.25	-39.24
CNS(=O)(=O)C1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161713	0	45	-1.0	-50.63	408.62	1.45	-49.18
CNS(=O)(=O)C1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161713	1	45	-1.0	-50.59	408.67	1.47	-49.12
COC(=O)C1=C(C)NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020161714	0	43	-1.0	-48.77	380.37	3.83	-44.94
COC(=O)C1=C(C)NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020161714	1	43	-1.0	-48.79	380.43	3.84	-44.95
CSCC[C@H](NC(=O)C1=CSC2=C1CCCC2)C1=N[N-]N=N1	REAL300020161715	0	40	-1.0	-47.40	348.51	5.64	-41.76
CSCC[C@H](NC(=O)C1=CSC2=C1CCCC2)C1=NN=N[N-]1	REAL300020161715	1	40	-1.0	-47.39	348.57	5.65	-41.74
CSCC[C@H](NC(=O)C(NC(C)=O)C1CCCC1)C1=N[N-]N=N1	REAL300020161716	0	46	-1.0	-61.25	376.66	4.21	-57.04
CSCC[C@H](NC(=O)C(NC(C)=O)C1CCCC1)C1=NN=N[N-]1	REAL300020161716	1	46	-1.0	-61.25	376.72	4.23	-57.02
CSCC[C@H](NC(=O)C1=CN(CC2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL300020161717	0	43	-1.0	-47.76	396.59	6.17	-41.59
CSCC[C@H](NC(=O)C1=CN(CC2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL300020161717	1	43	-1.0	-47.76	396.53	6.15	-41.61
CSCC[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C1=N[N-]N=N1	REAL300020161718	0	50	-1.0	-59.88	424.06	2.37	-57.51
CSCC[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C1=NN=N[N-]1	REAL300020161718	1	50	-1.0	-59.87	424.12	2.39	-57.48
CSCC[C@H](NC(=O)CCN1C(=O)C(C)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161719	0	48	-1.0	-51.47	409.99	4.68	-46.79
CSCC[C@H](NC(=O)CCN1C(=O)C(C)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161719	1	48	-1.0	-51.46	410.04	4.69	-46.77
CSCC[C@H](NC(=O)C1=CC=C(C#CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020161720	0	45	-1.0	-47.17	406.44	9.27	-37.90
CSCC[C@H](NC(=O)C1=CC=C(C#CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020161720	1	45	-1.0	-47.17	406.49	9.29	-37.88
CSCC[C@H](NC(=O)C1CCCCN1S(C)(=O)=O)C1=N[N-]N=N1	REAL300020161721	0	44	-1.0	-45.71	367.90	1.52	-44.19
CSCC[C@H](NC(=O)C1CCCCN1S(C)(=O)=O)C1=NN=N[N-]1	REAL300020161721	1	44	-1.0	-45.67	367.96	1.53	-44.14
CSCC[C@H](NC(=O)C1=CC=CC(CS(C)=O)=C1)C1=N[N-]N=N1	REAL300020161722	0	41	-1.0	-51.40	373.18	3.31	-48.09
CSCC[C@H](NC(=O)C1=CC=CC(CS(C)=O)=C1)C1=NN=N[N-]1	REAL300020161722	1	41	-1.0	-51.41	373.24	3.33	-48.08
CSCC[C@H](NC(=O)C1=CC=CC=C1NC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020161723	0	48	-1.0	-49.72	409.81	7.44	-42.28
CSCC[C@H](NC(=O)C1=CC=CC=C1NC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020161723	1	48	-1.0	-49.72	409.87	7.46	-42.26
C=CCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020161724	0	48	-1.0	-45.37	412.14	5.36	-40.01
C=CCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020161724	1	48	-1.0	-45.36	412.20	5.38	-39.98
CSCC[C@H](NC(=O)C1C(C=C(C)C)C1(C)C)C1=N[N-]N=N1	REAL300020161725	0	46	-1.0	-44.34	384.34	6.29	-38.05
CSCC[C@H](NC(=O)C1C(C=C(C)C)C1(C)C)C1=NN=N[N-]1	REAL300020161725	1	46	-1.0	-44.35	384.40	6.31	-38.04
CSCC[C@H](NC(=O)CCN1C(=O)NC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161726	0	45	-1.0	-52.53	394.31	3.11	-49.42
CSCC[C@H](NC(=O)CCN1C(=O)NC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161726	1	45	-1.0	-52.59	394.36	3.13	-49.46
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020161727	0	39	-1.0	-47.37	364.85	4.91	-42.46
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020161727	1	39	-1.0	-47.37	364.80	4.89	-42.48
CSCC[C@H](NC(=O)CC1=CSC(C2=CSC=C2)=N1)C1=NN=N[N-]1	REAL300020161728	0	39	-1.0	-49.84	376.91	4.67	-45.17
CSCC[C@H](NC(=O)CC1=CSC(C2=CSC=C2)=N1)C1=N[N-]N=N1	REAL300020161728	1	39	-1.0	-49.80	376.85	4.65	-45.15
CSCC[C@H](NC(=O)C1=CC(Br)=CN1C)C1=N[N-]N=N1	REAL300020161729	0	34	-1.0	-44.40	324.79	4.15	-40.25
CSCC[C@H](NC(=O)C1=CC(Br)=CN1C)C1=NN=N[N-]1	REAL300020161729	1	34	-1.0	-44.38	324.85	4.16	-40.22
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC2=C1OC(C)C2	REAL300020161730	0	45	-1.0	-47.30	384.02	3.99	-43.31
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC2=C1OC(C)C2	REAL300020161730	1	45	-1.0	-47.33	384.07	4.00	-43.33
COCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020161731	0	37	-1.0	-46.94	337.34	1.99	-44.95
COCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020161731	1	37	-1.0	-46.96	337.39	2.00	-44.96
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1)C1=N[N-]N=N1	REAL300020161732	0	56	-1.0	-54.19	436.27	4.87	-49.32
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1)C1=NN=N[N-]1	REAL300020161732	1	56	-1.0	-54.24	436.31	4.88	-49.36
CSCC[C@H](NC(=O)C1=CC(Cl)=CN1C)C1=N[N-]N=N1	REAL300020161733	0	34	-1.0	-44.40	320.17	4.04	-40.36
CSCC[C@H](NC(=O)C1=CC(Cl)=CN1C)C1=NN=N[N-]1	REAL300020161733	1	34	-1.0	-44.40	320.23	4.06	-40.34
CSCC[C@H](NC(=O)COC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300020161734	0	43	-1.0	-49.03	372.55	6.03	-43.00
CSCC[C@H](NC(=O)COC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300020161734	1	43	-1.0	-49.05	372.61	6.05	-43.00
CCOC1=CC=CC=C1C=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161735	0	44	-1.0	-50.65	382.28	5.56	-45.09
CCOC1=CC=CC=C1C=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161735	1	44	-1.0	-50.65	382.34	5.58	-45.07
CSCC[C@H](NC(=O)C=CC1=CC=C(C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020161736	0	40	-1.0	-46.39	367.48	6.38	-40.01
CSCC[C@H](NC(=O)C=CC1=CC=C(C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020161736	1	40	-1.0	-46.40	367.54	6.40	-40.00
CSCC[C@H](NC(=O)CCOC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020161737	0	43	-1.0	-45.69	373.43	5.07	-40.62
CSCC[C@H](NC(=O)CCOC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020161737	1	43	-1.0	-45.72	373.49	5.08	-40.64
COC1=CC=C(SCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161738	0	44	-1.0	-45.57	391.83	5.32	-40.25
COC1=CC=C(SCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161738	1	44	-1.0	-45.60	391.88	5.33	-40.27
CSCC[C@H](NC(=O)C1=CC=C2CCC3=C2C1=CC=C3)C1=NN=N[N-]1	REAL300020161739	0	43	-1.0	-51.86	363.49	7.48	-44.38
CSCC[C@H](NC(=O)C1=CC=C2CCC3=C2C1=CC=C3)C1=N[N-]N=N1	REAL300020161739	1	43	-1.0	-51.89	363.43	7.46	-44.43
CSCC[C@H](NC(=O)C=CC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL300020161740	0	37	-1.0	-46.11	363.05	6.22	-39.89
CSCC[C@H](NC(=O)C=CC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL300020161740	1	37	-1.0	-46.12	363.10	6.23	-39.89
CSCC[C@H](NC(=O)CC1=CC(F)=CC2=C1OCOC2)C1=N[N-]N=N1	REAL300020161741	0	42	-1.0	-51.29	371.88	3.94	-47.35
CSCC[C@H](NC(=O)CC1=CC(F)=CC2=C1OCOC2)C1=NN=N[N-]1	REAL300020161741	1	42	-1.0	-51.28	371.93	3.96	-47.32
CSCC[C@H](NC(=O)CCN1C=NC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020161742	0	44	-1.0	-48.16	388.89	5.73	-42.43
CSCC[C@H](NC(=O)CCN1C=NC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020161742	1	44	-1.0	-48.13	388.83	5.72	-42.41
CSCC[C@H](NC(=O)CCN1C=NC2=C(C)C=CC=C2C1=O)C1=NN=N[N-]1	REAL300020161743	0	47	-1.0	-55.70	409.06	6.57	-49.13
CSCC[C@H](NC(=O)CCN1C=NC2=C(C)C=CC=C2C1=O)C1=N[N-]N=N1	REAL300020161743	1	47	-1.0	-55.74	409.00	6.55	-49.19
CSCC[C@H](NC(=O)C1=C(C)N=C2C(=C1)C=NN2C(C)C)C1=N[N-]N=N1	REAL300020161744	0	47	-1.0	-46.06	400.85	5.46	-40.60
CSCC[C@H](NC(=O)C1=C(C)N=C2C(=C1)C=NN2C(C)C)C1=NN=N[N-]1	REAL300020161744	1	47	-1.0	-46.05	400.91	5.47	-40.58
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL300020161745	0	41	-1.0	-48.06	357.27	3.29	-44.77
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL300020161745	1	41	-1.0	-48.07	357.33	3.30	-44.77
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=N[N-]N=N1	REAL300020161746	0	39	-1.0	-52.70	359.49	-1.59	-54.29
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=NN=N[N-]1	REAL300020161746	1	39	-1.0	-52.75	359.55	-1.57	-54.32
CSCC[C@H](NC(=O)C1=CC(SC)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020161747	0	39	-1.0	-52.24	364.38	6.44	-45.80
CSCC[C@H](NC(=O)C1=CC(SC)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020161747	1	39	-1.0	-52.25	364.44	6.46	-45.79
CSCC[C@H](NC(=O)CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020161748	0	39	-1.0	-46.11	360.90	5.76	-40.35
CSCC[C@H](NC(=O)CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020161748	1	39	-1.0	-46.11	360.96	5.78	-40.33
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020161749	0	41	-1.0	-47.14	377.49	5.14	-42.00
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020161749	1	41	-1.0	-47.08	377.55	5.15	-41.93
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)C2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL300020161750	0	46	-1.0	-61.51	404.36	4.36	-57.15
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)C2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL300020161750	1	46	-1.0	-61.50	404.30	4.34	-57.16
CSCC[C@H](NC(=O)C1CCCN1C(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020161751	0	49	-1.0	-53.94	392.44	4.57	-49.37
CSCC[C@H](NC(=O)C1CCCN1C(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020161751	1	49	-1.0	-53.91	392.50	4.59	-49.32
CSCC[C@H](NC(=O)C1=C(C)C(C)=NNC1=O)C1=N[N-]N=N1	REAL300020161752	0	38	-1.0	-48.15	329.54	1.15	-47.00
CSCC[C@H](NC(=O)C1=C(C)C(C)=NNC1=O)C1=NN=N[N-]1	REAL300020161752	1	38	-1.0	-48.14	329.59	1.16	-46.98
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300020161753	0	42	-1.0	-42.28	383.94	4.70	-37.58
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300020161753	1	42	-1.0	-42.27	384.00	4.72	-37.55
COC1=CC2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C(C)N=C2C=C1	REAL300020161754	0	45	-1.0	-46.84	384.46	4.43	-42.41
COC1=CC2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C(C)N=C2C=C1	REAL300020161754	1	45	-1.0	-46.84	384.51	4.44	-42.40
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)N(C)C)O1)C1=N[N-]N=N1	REAL300020161755	0	41	-1.0	-46.18	378.93	0.18	-46.00
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)N(C)C)O1)C1=NN=N[N-]1	REAL300020161755	1	41	-1.0	-46.18	378.99	0.20	-45.98
CSCC[C@H](NC(=O)C1=CC=C(N2CC(C)OC(C)C2)N=C1)C1=N[N-]N=N1	REAL300020161756	0	51	-1.0	-45.69	421.57	3.78	-41.91
CSCC[C@H](NC(=O)C1=CC=C(N2CC(C)OC(C)C2)N=C1)C1=NN=N[N-]1	REAL300020161756	1	51	-1.0	-45.71	421.63	3.80	-41.91
CSCC[C@H](NC(=O)CN1C=C(Br)C=CC1=O)C1=N[N-]N=N1	REAL300020161757	0	36	-1.0	-47.35	347.63	3.97	-43.38
CSCC[C@H](NC(=O)CN1C=C(Br)C=CC1=O)C1=NN=N[N-]1	REAL300020161757	1	36	-1.0	-47.33	347.69	3.99	-43.34
CSCC[C@H](NC(=O)C(C)NS(=O)(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020161758	0	41	-1.0	-53.59	384.34	0.08	-53.51
CSCC[C@H](NC(=O)C(C)NS(=O)(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020161758	1	41	-1.0	-53.58	384.39	0.10	-53.48
CSCC[C@H](NC(=O)CCC1=NC(C2=CC=CC=N2)=NO1)C1=N[N-]N=N1	REAL300020161759	0	43	-1.0	-49.40	389.80	2.32	-47.08
CSCC[C@H](NC(=O)CCC1=NC(C2=CC=CC=N2)=NO1)C1=NN=N[N-]1	REAL300020161759	1	43	-1.0	-49.41	389.86	2.34	-47.07
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NN1)C1=N[N-]N=N1	REAL300020161760	0	40	-1.0	-44.48	375.71	4.63	-39.85
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NN1)C1=NN=N[N-]1	REAL300020161760	1	40	-1.0	-44.47	375.77	4.65	-39.82
CSCC[C@H](NC(=O)CCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020161761	0	39	-1.0	-44.11	360.28	6.08	-38.03
CSCC[C@H](NC(=O)CCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020161761	1	39	-1.0	-44.10	360.34	6.09	-38.01
CSCC[C@H](NC(=O)C1=CC=C(OCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020161762	0	40	-1.0	-47.01	368.36	4.80	-42.21
CSCC[C@H](NC(=O)C1=CC=C(OCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020161762	1	40	-1.0	-47.01	368.42	4.82	-42.19
CSCC[C@H](NC(=O)CCC1=C(C)N2N=CC(C#N)=C2N=C1C)C1=N[N-]N=N1	REAL300020161763	0	48	-1.0	-49.55	421.06	5.86	-43.69
CSCC[C@H](NC(=O)CCC1=C(C)N2N=CC(C#N)=C2N=C1C)C1=NN=N[N-]1	REAL300020161763	1	48	-1.0	-49.57	421.12	5.88	-43.69
COC1=CC=C(C(=O)NCCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161764	0	50	-1.0	-49.82	429.53	3.32	-46.50
COC1=CC=C(C(=O)NCCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161764	1	50	-1.0	-49.86	429.59	3.34	-46.52
COC1=CC=C2OCC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CC2=C1	REAL300020161765	0	45	-1.0	-46.61	381.59	3.91	-42.70
COC1=CC=C2OCC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CC2=C1	REAL300020161765	1	45	-1.0	-46.59	381.65	3.92	-42.67
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020161766	0	38	-1.0	-51.43	368.18	-0.53	-51.96
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020161766	1	38	-1.0	-51.42	368.24	-0.52	-51.94
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC2=C1OCCO2	REAL300020161767	0	47	-1.0	-49.93	405.69	4.31	-45.62
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC2=C1OCCO2	REAL300020161767	1	47	-1.0	-49.94	405.75	4.32	-45.62
CSCC[C@H](NC(=O)C1=NN2C(=N1)N=C(C)C=C2C)C1=N[N-]N=N1	REAL300020161768	0	40	-1.0	-56.93	361.37	5.40	-51.53
CSCC[C@H](NC(=O)C1=NN2C(=N1)N=C(C)C=C2C)C1=NN=N[N-]1	REAL300020161768	1	40	-1.0	-56.94	361.43	5.42	-51.52
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020161769	0	43	-1.0	-47.60	375.08	5.69	-41.91
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020161769	1	43	-1.0	-47.60	375.14	5.70	-41.90
CSCC[C@H](NC(=O)CSC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020161770	0	43	-1.0	-49.64	385.18	4.36	-45.28
CSCC[C@H](NC(=O)CSC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020161770	1	43	-1.0	-49.68	385.23	4.38	-45.30
CSCC[C@H](NC(=O)C1=CC=C2NC(C)=C(C)C2=C1)C1=N[N-]N=N1	REAL300020161771	0	43	-1.0	-51.07	371.06	5.35	-45.72
CSCC[C@H](NC(=O)C1=CC=C2NC(C)=C(C)C2=C1)C1=NN=N[N-]1	REAL300020161771	1	43	-1.0	-51.04	371.12	5.36	-45.68
CSCC[C@H](NC(=O)C1=CC(N2CCOCC2)=CC=N1)C1=N[N-]N=N1	REAL300020161772	0	45	-1.0	-48.29	379.06	1.20	-47.09
CSCC[C@H](NC(=O)C1=CC(N2CCOCC2)=CC=N1)C1=NN=N[N-]1	REAL300020161772	1	45	-1.0	-48.27	379.12	1.22	-47.05
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL300020161773	0	36	-1.0	-47.63	356.47	3.93	-43.70
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL300020161773	1	36	-1.0	-47.64	356.42	3.91	-43.73
CSCC[C@H](NC(=O)C1=CC=CC=C1COC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161774	0	47	-1.0	-49.02	401.62	7.48	-41.54
CSCC[C@H](NC(=O)C1=CC=CC=C1COC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161774	1	47	-1.0	-49.04	401.68	7.49	-41.55
CSCC[C@H](NC(=O)C1=C(C)N(C2CC2)C(C)=C1)C1=N[N-]N=N1	REAL300020161775	0	44	-1.0	-49.74	373.27	6.15	-43.59
CSCC[C@H](NC(=O)C1=C(C)N(C2CC2)C(C)=C1)C1=NN=N[N-]1	REAL300020161775	1	44	-1.0	-49.72	373.33	6.17	-43.55
CSCC[C@H](NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300020161776	0	45	-1.0	-43.22	400.57	5.10	-38.12
CSCC[C@H](NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300020161776	1	45	-1.0	-43.24	400.63	5.11	-38.13
CSCC[C@H](NC(=O)C=CC1=CC=C(OCC#N)C=C1)C1=N[N-]N=N1	REAL300020161777	0	42	-1.0	-52.47	382.69	5.29	-47.18
CSCC[C@H](NC(=O)C=CC1=CC=C(OCC#N)C=C1)C1=NN=N[N-]1	REAL300020161777	1	42	-1.0	-52.48	382.75	5.30	-47.18
CSCC[C@H](NC(=O)C1=C(CSC2=CC=CC=C2)C=CO1)C1=N[N-]N=N1	REAL300020161778	0	44	-1.0	-50.36	399.86	7.00	-43.36
CSCC[C@H](NC(=O)C1=C(CSC2=CC=CC=C2)C=CO1)C1=NN=N[N-]1	REAL300020161778	1	44	-1.0	-50.42	399.91	7.02	-43.40
CCN1C(=O)N(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020161779	0	46	-1.0	-61.02	403.55	6.45	-54.57
CCN1C(=O)N(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020161779	1	46	-1.0	-60.97	403.61	6.46	-54.51
CSCC[C@H](NC(=O)CSC1=NC(C)=C(C)C(C)=C1C#N)C1=N[N-]N=N1	REAL300020161780	0	46	-1.0	-52.04	411.44	5.52	-46.52
CSCC[C@H](NC(=O)CSC1=NC(C)=C(C)C(C)=C1C#N)C1=NN=N[N-]1	REAL300020161780	1	46	-1.0	-52.06	411.50	5.54	-46.52
CSCC[C@H](NC(=O)C1=CC2=C(C)C=C(C)C=C2N1)C1=N[N-]N=N1	REAL300020161781	0	43	-1.0	-45.99	373.46	5.31	-40.68
CSCC[C@H](NC(=O)C1=CC2=C(C)C=C(C)C=C2N1)C1=NN=N[N-]1	REAL300020161781	1	43	-1.0	-45.98	373.52	5.33	-40.65
CSCC[C@H](NC(=O)C=CC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020161782	0	42	-1.0	-51.49	386.19	0.23	-51.26
CSCC[C@H](NC(=O)C=CC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020161782	1	42	-1.0	-51.50	386.25	0.25	-51.25
CSCC[C@H](NC(=O)CCC1=CC=C(C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020161783	0	42	-1.0	-46.11	379.02	6.67	-39.44
CSCC[C@H](NC(=O)CCC1=CC=C(C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020161783	1	42	-1.0	-46.09	379.08	6.69	-39.40
CSCC[C@H](NC(=O)C1=CC(C)=C(C)C(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020161784	0	44	-1.0	-54.64	384.05	0.32	-54.32
CSCC[C@H](NC(=O)C1=CC(C)=C(C)C(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020161784	1	44	-1.0	-54.66	384.11	0.33	-54.33
CSCC[C@H](NC(=O)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL300020161785	0	33	-1.0	-42.51	310.36	4.21	-38.30
CSCC[C@H](NC(=O)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL300020161785	1	33	-1.0	-42.54	310.41	4.23	-38.31
CSCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161786	0	44	-1.0	-49.37	394.54	1.13	-48.24
CSCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161786	1	44	-1.0	-49.36	394.59	1.14	-48.22
CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020161787	0	44	-1.0	-48.06	378.00	4.22	-43.84
CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020161787	1	44	-1.0	-48.06	378.06	4.23	-43.83
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NC(SC)=C1C#N)C1=N[N-]N=N1	REAL300020161788	0	44	-1.0	-50.61	401.47	5.74	-44.87
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NC(SC)=C1C#N)C1=NN=N[N-]1	REAL300020161788	1	44	-1.0	-50.64	401.53	5.76	-44.88
CSCC[C@H](NC(=O)C1=CN2C=CC(C)=CC2=N1)C1=N[N-]N=N1	REAL300020161789	0	39	-1.0	-51.15	349.25	5.21	-45.94
CSCC[C@H](NC(=O)C1=CN2C=CC(C)=CC2=N1)C1=NN=N[N-]1	REAL300020161789	1	39	-1.0	-51.13	349.31	5.22	-45.91
CSCC[C@H](NC(=O)C1=CC(C(C)=O)=CN1)C1=N[N-]N=N1	REAL300020161790	0	36	-1.0	-57.39	329.86	2.44	-54.95
CSCC[C@H](NC(=O)C1=CC(C(C)=O)=CN1)C1=NN=N[N-]1	REAL300020161790	1	36	-1.0	-57.41	329.91	2.45	-54.96
CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161791	0	43	-1.0	-45.89	370.29	5.14	-40.75
CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161791	1	43	-1.0	-45.94	370.35	5.15	-40.79
CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OCC	REAL300020161792	0	50	-1.0	-47.73	421.35	5.94	-41.79
CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OCC	REAL300020161792	1	50	-1.0	-47.72	421.41	5.96	-41.76
CSCC[C@H](NC(=O)C1=CC=C(CSC)C=C1)C1=N[N-]N=N1	REAL300020161793	0	40	-1.0	-48.03	363.65	5.97	-42.06
CSCC[C@H](NC(=O)C1=CC=C(CSC)C=C1)C1=NN=N[N-]1	REAL300020161793	1	40	-1.0	-48.01	363.71	5.98	-42.03
CSCC[C@H](NC(=O)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020161794	0	39	-1.0	-49.23	341.99	3.26	-45.97
CSCC[C@H](NC(=O)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020161794	1	39	-1.0	-49.21	342.05	3.28	-45.93
CSCC[C@H](NC(=O)C=CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020161795	0	40	-1.0	-47.07	371.10	6.27	-40.80
CSCC[C@H](NC(=O)C=CC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020161795	1	40	-1.0	-47.07	371.16	6.29	-40.78
CSCC[C@H](NC(=O)CCCSC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020161796	0	43	-1.0	-47.26	400.57	7.31	-39.95
CSCC[C@H](NC(=O)CCCSC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020161796	1	43	-1.0	-47.28	400.63	7.33	-39.95
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=CC=C2F)C1)C1=N[N-]N=N1	REAL300020161797	0	44	-1.0	-58.90	391.01	5.40	-53.50
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=CC=C2F)C1)C1=NN=N[N-]1	REAL300020161797	1	44	-1.0	-58.88	391.07	5.41	-53.47
CSCC[C@H](NC(=O)C1=CC(NC(C)=O)=CC(NC(C)=O)=C1)C1=N[N-]N=N1	REAL300020161798	0	47	-1.0	-58.16	410.07	1.90	-56.26
CSCC[C@H](NC(=O)C1=CC(NC(C)=O)=CC(NC(C)=O)=C1)C1=NN=N[N-]1	REAL300020161798	1	47	-1.0	-58.18	410.13	1.92	-56.26
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161799	0	42	-1.0	-62.40	376.95	5.39	-57.01
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161799	1	42	-1.0	-62.40	377.00	5.40	-57.00
CSCC[C@H](NC(=O)C1CCN(C2=CC=C(C#N)C=N2)CC1)C1=NN=N[N-]1	REAL300020161800	0	48	-1.0	-48.98	410.29	5.05	-43.93
CSCC[C@H](NC(=O)C1CCN(C2=CC=C(C#N)C=N2)CC1)C1=N[N-]N=N1	REAL300020161800	1	48	-1.0	-49.02	410.23	5.03	-43.99
CSCC[C@H](NC(=O)C1=CC=C(C)C(N2C=CC=C2)=C1)C1=N[N-]N=N1	REAL300020161801	0	44	-1.0	-48.48	378.21	7.49	-40.99
CSCC[C@H](NC(=O)C1=CC=C(C)C(N2C=CC=C2)=C1)C1=NN=N[N-]1	REAL300020161801	1	44	-1.0	-48.47	378.27	7.50	-40.97
CSCC[C@H](NC(=O)CC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL300020161802	0	41	-1.0	-48.87	358.05	4.60	-44.27
CSCC[C@H](NC(=O)CC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL300020161802	1	41	-1.0	-48.87	358.11	4.62	-44.25
CSCC[C@H](NC(=O)CNC(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161803	0	42	-1.0	-46.27	371.27	1.81	-44.46
CSCC[C@H](NC(=O)CNC(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161803	1	42	-1.0	-46.27	371.33	1.83	-44.44
CSCC[C@H](NC(=O)C1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL300020161804	0	39	-1.0	-46.57	344.97	2.81	-43.76
CSCC[C@H](NC(=O)C1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL300020161804	1	39	-1.0	-46.58	345.03	2.83	-43.75
CSCC[C@H](NC(=O)C=CC1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020161805	0	40	-1.0	-47.17	362.27	5.87	-41.30
CSCC[C@H](NC(=O)C=CC1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020161805	1	40	-1.0	-47.18	362.33	5.89	-41.29
CSCC[C@H](NC(=O)C=CC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL300020161806	0	42	-1.0	-47.69	367.95	5.14	-42.55
CSCC[C@H](NC(=O)C=CC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL300020161806	1	42	-1.0	-47.66	368.01	5.15	-42.51
CSCC[C@H](NC(=O)CN1C(=O)C(C)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161807	0	45	-1.0	-54.27	389.21	4.17	-50.10
CSCC[C@H](NC(=O)CN1C(=O)C(C)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161807	1	45	-1.0	-54.32	389.26	4.19	-50.13
CSCC[C@H](NC(=O)C(C)NC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020161808	0	40	-1.0	-46.79	368.21	2.43	-44.36
CSCC[C@H](NC(=O)C(C)NC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020161808	1	40	-1.0	-46.78	368.27	2.44	-44.34
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300020161809	0	43	-2.0	-104.30	386.73	1.84	-102.46
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300020161809	1	43	-2.0	-104.32	386.79	1.85	-102.47
CSCC[C@H](NC(=O)C=CC1=CC=C(N2CCCC2=O)C=C1)C1=N[N-]N=N1	REAL300020161810	0	48	-1.0	-53.32	409.70	6.40	-46.92
CSCC[C@H](NC(=O)C=CC1=CC=C(N2CCCC2=O)C=C1)C1=NN=N[N-]1	REAL300020161810	1	48	-1.0	-53.30	409.76	6.42	-46.88
CSCC[C@H](NC(=O)C=CC1=C(Cl)N(C)N=C1C)C1=N[N-]N=N1	REAL300020161811	0	40	-1.0	-46.25	373.66	4.09	-42.16
CSCC[C@H](NC(=O)C=CC1=C(Cl)N(C)N=C1C)C1=NN=N[N-]1	REAL300020161811	1	40	-1.0	-46.30	373.72	4.11	-42.19
CSCC[C@H](NC(=O)CCC1=NC=C(C2=CC=C(C)C=C2)O1)C1=N[N-]N=N1	REAL300020161812	0	48	-1.0	-47.52	420.14	4.72	-42.80
CSCC[C@H](NC(=O)CCC1=NC=C(C2=CC=C(C)C=C2)O1)C1=NN=N[N-]1	REAL300020161812	1	48	-1.0	-47.53	420.20	4.74	-42.79
CSCC[C@H](NC(=O)C1=CC2=C(S1)N(C)N=C2C)C1=N[N-]N=N1	REAL300020161813	0	39	-1.0	-46.42	361.17	3.78	-42.64
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2Cl)=NN1)C1=N[N-]N=N1	REAL300020161814	0	40	-1.0	-45.69	371.34	4.78	-40.91
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2Cl)=NN1)C1=NN=N[N-]1	REAL300020161814	1	40	-1.0	-45.68	371.39	4.80	-40.88
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161815	0	50	-1.0	-46.60	430.76	8.15	-38.45
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161815	1	50	-1.0	-46.65	430.82	8.17	-38.48
CSCC[C@H](NC(=O)C1=CC=C(S(C)=O)C=C1)C1=N[N-]N=N1	REAL300020161816	0	38	-1.0	-54.59	349.72	2.68	-51.91
CSCC[C@H](NC(=O)C1=CC=C(S(C)=O)C=C1)C1=NN=N[N-]1	REAL300020161816	1	38	-1.0	-54.59	349.78	2.70	-51.89
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C2=C1CCC2)C1=N[N-]N=N1	REAL300020161817	0	47	-1.0	-53.19	406.02	7.07	-46.12
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C2=C1CCC2)C1=NN=N[N-]1	REAL300020161817	1	47	-1.0	-53.20	406.08	7.08	-46.12
CSCC[C@H](NC(=O)C1=CC=C(N2CCNC2=O)C=C1)C1=N[N-]N=N1	REAL300020161818	0	43	-1.0	-53.45	369.81	2.83	-50.62
CSCC[C@H](NC(=O)C1=CC=C(N2CCNC2=O)C=C1)C1=NN=N[N-]1	REAL300020161818	1	43	-1.0	-53.42	369.86	2.84	-50.58
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C=NN2C(C)C)C1=NN=N[N-]1	REAL300020161819	0	44	-1.0	-46.10	384.65	4.81	-41.29
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C=NN2C(C)C)C1=N[N-]N=N1	REAL300020161819	1	44	-1.0	-46.13	384.59	4.80	-41.33
CSCC[C@H](NC(=O)C1=C(COC2=CC=CC=C2)C=CO1)C1=N[N-]N=N1	REAL300020161820	0	44	-1.0	-47.41	390.22	5.44	-41.97
CSCC[C@H](NC(=O)C1=C(COC2=CC=CC=C2)C=CO1)C1=NN=N[N-]1	REAL300020161820	1	44	-1.0	-47.38	390.28	5.46	-41.92
CSCC[C@H](NC(=O)C1=C2C(C)=NOC2=NC(C(C)C)=C1)C1=N[N-]N=N1	REAL300020161821	0	46	-1.0	-42.68	388.28	2.90	-39.78
CSCC[C@H](NC(=O)C1=C2C(C)=NOC2=NC(C(C)C)=C1)C1=NN=N[N-]1	REAL300020161821	1	46	-1.0	-42.70	388.34	2.92	-39.78
CSCC[C@H](NC(=O)C1=C2C(C)=NOC2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL300020161822	0	44	-1.0	-41.60	381.77	3.03	-38.57
CSCC[C@H](NC(=O)C1=C2C(C)=NOC2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL300020161822	1	44	-1.0	-41.58	381.83	3.05	-38.53
COC1=CC=C(C2=NNC=C2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161823	0	44	-1.0	-50.57	382.87	3.40	-47.17
COC1=CC=C(C2=NNC=C2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161823	1	44	-1.0	-50.61	382.92	3.41	-47.20
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161824	0	40	-1.0	-48.80	359.83	4.17	-44.63
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161824	1	40	-1.0	-48.81	359.89	4.19	-44.62
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020161825	0	40	-1.0	-48.53	370.14	4.62	-43.91
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020161825	1	40	-1.0	-48.55	370.20	4.64	-43.91
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CN1C)C1=N[N-]N=N1	REAL300020161826	0	36	-1.0	-45.35	332.98	4.26	-41.09
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CN1C)C1=NN=N[N-]1	REAL300020161826	1	36	-1.0	-45.31	333.03	4.27	-41.04
CSCC[C@H](NC(=O)CCC1=C(C)N=C(SC)NC1=O)C1=N[N-]N=N1	REAL300020161827	0	45	-1.0	-56.10	402.23	3.30	-52.80
CSCC[C@H](NC(=O)CCC1=C(C)N=C(SC)NC1=O)C1=NN=N[N-]1	REAL300020161827	1	45	-1.0	-56.14	402.29	3.31	-52.83
CSCC[C@H](NC(=O)CCC1=C(C)N=C(SC)[N-]C1=O)C1=N[N-]N=N1	REAL300020161827	1	44	-2.0	-104.62	398.99	2.16	-102.46
CSCC[C@H](NC(=O)CCC1=C(C)N=C(SC)[N-]C1=O)C1=NN=N[N-]1	REAL300020161827	1	44	-2.0	-104.58	399.05	2.17	-102.41
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)C2CC2)S1)C1=N[N-]N=N1	REAL300020161828	0	41	-1.0	-51.51	376.72	3.69	-47.82
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)C2CC2)S1)C1=NN=N[N-]1	REAL300020161828	1	41	-1.0	-51.49	376.77	3.71	-47.78
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1C)C1=N[N-]N=N1	REAL300020161829	0	36	-1.0	-44.07	320.00	4.83	-39.24
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1C)C1=NN=N[N-]1	REAL300020161829	1	36	-1.0	-44.05	320.06	4.84	-39.21
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020161830	0	44	-1.0	-45.91	376.81	5.01	-40.90
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020161830	1	44	-1.0	-45.90	376.87	5.03	-40.87
CCOC(=O)NCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161831	0	37	-1.0	-44.17	333.51	-0.19	-44.36
CCOC(=O)NCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161831	1	37	-1.0	-44.16	333.56	-0.18	-44.34
CSCC[C@H](NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=N1)C1=NN=N[N-]1	REAL300020161832	0	39	-1.0	-44.72	371.61	4.31	-40.41
CSCC[C@H](NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=N1)C1=N[N-]N=N1	REAL300020161832	1	39	-1.0	-44.74	371.55	4.30	-40.44
CSCC[C@H](NC(=O)C1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020161833	0	36	-1.0	-48.95	331.90	5.40	-43.55
CSCC[C@H](NC(=O)C1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020161833	1	36	-1.0	-48.93	331.96	5.42	-43.51
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL300020161834	0	38	-1.0	-54.37	350.85	5.51	-48.86
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL300020161834	1	38	-1.0	-54.36	350.91	5.52	-48.84
CNS(=O)(=O)C1=CC=C(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161835	0	44	-1.0	-47.43	390.18	0.93	-46.50
CNS(=O)(=O)C1=CC=C(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161835	1	44	-1.0	-47.41	390.24	0.94	-46.47
CSCC[C@H](NC(=O)C1=CC2=CC=C(F)C=C2N=C1C)C1=N[N-]N=N1	REAL300020161836	0	41	-1.0	-45.32	361.48	5.20	-40.12
CSCC[C@H](NC(=O)C1=CC2=CC=C(F)C=C2N=C1C)C1=NN=N[N-]1	REAL300020161836	1	41	-1.0	-45.34	361.53	5.22	-40.12
C#CCNS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020161837	0	43	-1.0	-49.67	400.90	1.60	-48.07
C#CCNS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020161837	1	43	-1.0	-49.66	400.96	1.61	-48.05
COC1=CC2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N=C2C=C1	REAL300020161838	0	42	-1.0	-47.64	370.40	3.84	-43.80
COC1=CC2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N=C2C=C1	REAL300020161838	1	42	-1.0	-47.65	370.34	3.83	-43.82
CSCC[C@H](NC(=O)C1=C(Cl)N(C)N=C1C)C1=N[N-]N=N1	REAL300020161839	0	36	-1.0	-45.95	341.99	2.71	-43.24
CSCC[C@H](NC(=O)C1=C(Cl)N(C)N=C1C)C1=NN=N[N-]1	REAL300020161839	1	36	-1.0	-45.95	342.05	2.73	-43.22
CSCC[C@H](NC(=O)CCC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300020161840	0	45	-1.0	-45.65	381.74	6.76	-38.89
CSCC[C@H](NC(=O)CCC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300020161840	1	45	-1.0	-45.67	381.79	6.77	-38.90
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020161841	0	39	-1.0	-44.09	355.19	4.06	-40.03
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020161841	1	39	-1.0	-44.09	355.25	4.07	-40.02
CSCC[C@H](NC(=O)C1=C2C=NN(C(C)C)C2=NC(C)=C1)C1=N[N-]N=N1	REAL300020161842	0	47	-1.0	-47.91	403.80	5.34	-42.57
CSCC[C@H](NC(=O)C1=C2C=NN(C(C)C)C2=NC(C)=C1)C1=NN=N[N-]1	REAL300020161842	1	47	-1.0	-47.91	403.86	5.35	-42.56
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161843	0	40	-1.0	-50.37	353.50	4.12	-46.25
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161843	1	40	-1.0	-50.38	353.44	4.10	-46.28
CSCC[C@H](NC(=O)CCC1=NC=C(C2=CC=CC=C2F)O1)C1=N[N-]N=N1	REAL300020161844	0	45	-1.0	-47.66	406.26	4.13	-43.53
CSCC[C@H](NC(=O)CCC1=NC=C(C2=CC=CC=C2F)O1)C1=NN=N[N-]1	REAL300020161844	1	45	-1.0	-47.66	406.32	4.15	-43.51
CSCC[C@H](NC(=O)CCOC1=CC=CC(C)=C1C)C1=N[N-]N=N1	REAL300020161845	0	46	-1.0	-46.17	389.10	5.68	-40.49
CSCC[C@H](NC(=O)CCOC1=CC=CC(C)=C1C)C1=NN=N[N-]1	REAL300020161845	1	46	-1.0	-46.16	389.16	5.70	-40.46
CSCC[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300020161846	0	44	-1.0	-49.32	378.16	0.77	-48.55
CSCC[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300020161846	1	44	-1.0	-49.36	378.22	0.79	-48.57
CSCC[C@H](NC(=O)C1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL300020161847	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	REAL300020161847	1	38	-1.0	-47.56	333.33	4.44	-43.12
CSCC[C@H](NC(=O)C1=CC=C(Cl)O1)C1=N[N-]N=N1	REAL300020161848	0	30	-1.0	-42.09	298.81	2.72	-39.37
CSCC[C@H](NC(=O)C1=CC=C(Cl)O1)C1=NN=N[N-]1	REAL300020161848	1	30	-1.0	-42.09	298.87	2.73	-39.36
CSCC[C@H](NC(=O)C(C#N)=CC1=C(C)N(C)C(C#N)=C1)C1=N[N-]N=N1	REAL300020161849	0	43	-1.0	-50.56	393.94	5.76	-44.80
CSCC[C@H](NC(=O)C(C#N)=CC1=C(C)N(C)C(C#N)=C1)C1=NN=N[N-]1	REAL300020161849	1	43	-1.0	-50.57	394.00	5.78	-44.79
CSCC[C@H](NC(=O)C=CC1=CC=CC2=CC=CN=C12)C1=N[N-]N=N1	REAL300020161850	0	42	-1.0	-55.34	372.88	5.81	-49.53
CSCC[C@H](NC(=O)C=CC1=CC=CC2=CC=CN=C12)C1=NN=N[N-]1	REAL300020161850	1	42	-1.0	-55.41	372.94	5.83	-49.58
CSCC[C@H](NC(=O)COC1=CC=C(OC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020161851	0	48	-1.0	-49.64	419.76	7.48	-42.16
CSCC[C@H](NC(=O)COC1=CC=C(OC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020161851	1	48	-1.0	-49.66	419.82	7.49	-42.17
CSCC[C@H](NC(=O)C=CC1=CC=C(NC(C)=O)C=C1)C1=N[N-]N=N1	REAL300020161852	0	44	-1.0	-53.34	388.04	4.18	-49.16
CSCC[C@H](NC(=O)C=CC1=CC=C(NC(C)=O)C=C1)C1=NN=N[N-]1	REAL300020161852	1	44	-1.0	-53.36	388.10	4.20	-49.16
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Cl)N1)C1=N[N-]N=N1	REAL300020161853	0	31	-1.0	-41.96	318.48	2.79	-39.17
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Cl)N1)C1=NN=N[N-]1	REAL300020161853	1	31	-1.0	-41.96	318.53	2.80	-39.16
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL300020161854	0	46	-1.0	-46.32	401.62	6.43	-39.89
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300020161854	1	46	-1.0	-46.31	401.67	6.44	-39.87
CSCC[C@H](NC(=O)C1CC(=O)NC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300020161855	0	41	-1.0	-56.78	364.23	3.17	-53.61
CSCC[C@H](NC(=O)C1CC(=O)NC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300020161855	1	41	-1.0	-56.82	364.29	3.19	-53.63
CSCC[C@H](NC(=O)CCNC(=O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161856	0	46	-1.0	-55.98	403.25	3.88	-52.10
CSCC[C@H](NC(=O)CCNC(=O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161856	1	46	-1.0	-55.99	403.31	3.90	-52.09
CCOC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161857	0	40	-1.0	-51.98	346.71	5.55	-46.43
CCOC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161857	1	40	-1.0	-51.99	346.77	5.56	-46.43
CCOC1=NC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161858	0	39	-1.0	-51.87	344.46	2.98	-48.89
CCOC1=NC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161858	1	39	-1.0	-51.86	344.41	2.97	-48.89
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)NC1=O)C1=N[N-]N=N1	REAL300020161859	0	36	-1.0	-49.94	338.91	2.21	-47.73
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)NC1=O)C1=NN=N[N-]1	REAL300020161859	1	36	-1.0	-49.96	338.97	2.22	-47.74
CSCC[C@H](NC(=O)CCC1CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020161860	0	47	-1.0	-46.57	399.19	4.45	-42.12
CSCC[C@H](NC(=O)CCC1CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020161860	1	47	-1.0	-46.59	399.25	4.46	-42.13
CSCC[C@H](NC(=O)C(C)(C)OC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161861	0	43	-1.0	-48.72	364.20	5.57	-43.15
CSCC[C@H](NC(=O)C(C)(C)OC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161861	1	43	-1.0	-48.74	364.26	5.58	-43.16
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300020161862	0	42	-1.0	-44.62	377.57	4.63	-39.99
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300020161862	1	42	-1.0	-44.61	377.63	4.65	-39.96
CSCC[C@H](NC(=O)C1=CC=CN=C1OCC(F)(F)F)C1=NN=N[N-]1	REAL300020161863	0	39	-1.0	-53.20	364.04	3.45	-49.75
CSCC[C@H](NC(=O)C1=CC=CN=C1OCC(F)(F)F)C1=N[N-]N=N1	REAL300020161863	1	39	-1.0	-53.16	363.98	3.43	-49.73
CSCC[C@H](NC(=O)C(SC1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161864	0	47	-1.0	-48.70	424.35	8.90	-39.80
CSCC[C@H](NC(=O)C(SC1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161864	1	47	-1.0	-48.70	424.41	8.92	-39.78
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020161865	0	38	-1.0	-59.50	344.44	6.61	-52.89
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020161865	1	38	-1.0	-59.48	344.50	6.62	-52.86
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1OC(F)F	REAL300020161866	0	41	-1.0	-52.95	364.00	4.68	-48.27
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1OC(F)F	REAL300020161866	1	41	-1.0	-52.95	364.06	4.70	-48.25
CSCC[C@H](NC(=O)C1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020161867	0	37	-1.0	-49.90	334.61	4.91	-44.99
CSCC[C@H](NC(=O)C1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020161867	1	37	-1.0	-49.87	334.67	4.92	-44.95
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020161868	0	50	-1.0	-55.42	421.55	9.18	-46.24
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020161868	1	50	-1.0	-55.43	421.61	9.19	-46.24
CSCC[C@H](NC(=O)C1=CC=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL300020161869	0	39	-1.0	-48.96	345.54	2.64	-46.32
CSCC[C@H](NC(=O)C1=CC=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL300020161869	1	39	-1.0	-48.92	345.60	2.66	-46.26
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(F)F)C1=N[N-]N=N1	REAL300020161870	0	37	-1.0	-47.69	342.85	5.34	-42.35
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(F)F)C1=NN=N[N-]1	REAL300020161870	1	37	-1.0	-47.66	342.91	5.35	-42.31
CSCC[C@H](NC(=O)C1=C(N2C=CC=C2)SC(C)=C1C)C1=N[N-]N=N1	REAL300020161871	0	44	-1.0	-48.79	389.35	7.11	-41.68
CSCC[C@H](NC(=O)C1=C(N2C=CC=C2)SC(C)=C1C)C1=NN=N[N-]1	REAL300020161871	1	44	-1.0	-48.79	389.41	7.13	-41.66
CCSC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161872	0	40	-1.0	-49.73	354.72	5.95	-43.78
CCSC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161872	1	40	-1.0	-49.71	354.77	5.96	-43.75
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC1=NOC(C)=N1)C1=N[N-]N=N1	REAL300020161873	0	45	-1.0	-59.72	398.20	4.12	-55.60
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC1=NOC(C)=N1)C1=NN=N[N-]1	REAL300020161873	1	45	-1.0	-59.80	398.26	4.13	-55.67
CSCC[C@H](NC(=O)C1=C(N2C=CC=C2)C=CS1)C1=N[N-]N=N1	REAL300020161874	0	38	-1.0	-48.84	349.20	6.04	-42.80
CSCC[C@H](NC(=O)C1=C(N2C=CC=C2)C=CS1)C1=NN=N[N-]1	REAL300020161874	1	38	-1.0	-48.84	349.26	6.06	-42.78
COC1=CC=C(F)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161875	0	37	-1.0	-48.93	331.26	4.70	-44.23
COC1=CC=C(F)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161875	1	37	-1.0	-48.92	331.31	4.71	-44.21
CSCC[C@H](NC(=O)CC1=C(C)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161876	0	43	-1.0	-48.56	374.37	5.35	-43.21
CSCC[C@H](NC(=O)CC1=C(C)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161876	1	43	-1.0	-48.55	374.43	5.36	-43.19
COC1=CC=C(N2N=NC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C2C)C=C1	REAL300020161877	0	46	-1.0	-46.37	400.89	3.56	-42.81
COC1=CC=C(N2N=NC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C2C)C=C1	REAL300020161877	1	46	-1.0	-46.34	400.95	3.58	-42.76
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C)C=C2)=NN1)C1=N[N-]N=N1	REAL300020161878	0	43	-1.0	-44.91	380.38	4.80	-40.11
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C)C=C2)=NN1)C1=NN=N[N-]1	REAL300020161878	1	43	-1.0	-44.89	380.44	4.82	-40.07
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1)C1=N[N-]N=N1	REAL300020161879	0	40	-1.0	-43.37	375.70	4.64	-38.73
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1)C1=NN=N[N-]1	REAL300020161879	1	40	-1.0	-43.36	375.76	4.66	-38.70
CSCC[C@H](NC(=O)C1=CC=C(NC(N)=O)C=C1)C1=N[N-]N=N1	REAL300020161880	0	39	-1.0	-55.58	346.73	0.16	-55.42
CSCC[C@H](NC(=O)C1=CC=C(NC(N)=O)C=C1)C1=NN=N[N-]1	REAL300020161880	1	39	-1.0	-55.59	346.79	0.18	-55.41
CCOC(=O)NCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161881	0	40	-1.0	-51.28	355.64	0.42	-50.86
CCOC(=O)NCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161881	1	40	-1.0	-51.35	355.70	0.43	-50.92
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=NN=N[N-]1	REAL300020161882	0	39	-1.0	-44.68	372.95	5.64	-39.04
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=N[N-]N=N1	REAL300020161882	1	39	-1.0	-44.70	372.89	5.63	-39.07
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL300020161883	0	39	-1.0	-47.34	364.31	5.27	-42.07
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL300020161883	1	39	-1.0	-47.36	364.26	5.25	-42.11
CCOC(=O)NC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)C	REAL300020161884	0	46	-1.0	-41.91	388.15	2.47	-39.44
CCOC(=O)NC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)C	REAL300020161884	1	46	-1.0	-41.94	388.21	2.47	-39.47
CSCC[C@H](NC(=O)C1CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161885	0	41	-1.0	-47.52	357.83	3.10	-44.42
CSCC[C@H](NC(=O)C1CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161885	1	41	-1.0	-47.46	357.89	3.11	-44.35
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C1=N[N-]N=N1	REAL300020161886	0	43	-1.0	-45.87	390.19	6.16	-39.71
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C1=NN=N[N-]1	REAL300020161886	1	43	-1.0	-45.85	390.25	6.17	-39.68
CSCC[C@H](NC(=O)C1=CC=CC(OCC2=CC=CC(C)=C2)=C1)C1=N[N-]N=N1	REAL300020161887	0	50	-1.0	-51.05	430.19	8.03	-43.02
CSCC[C@H](NC(=O)C1=CC=CC(OCC2=CC=CC(C)=C2)=C1)C1=NN=N[N-]1	REAL300020161887	1	50	-1.0	-51.00	430.25	8.05	-42.95
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C(C)=NN2C)C1=N[N-]N=N1	REAL300020161888	0	41	-1.0	-46.06	363.97	3.82	-42.24
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C(C)=NN2C)C1=NN=N[N-]1	REAL300020161888	1	41	-1.0	-46.07	364.03	3.84	-42.23
CSCC[C@H](NC(=O)CCNC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020161889	0	43	-1.0	-46.91	380.09	4.58	-42.33
CSCC[C@H](NC(=O)CCNC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020161889	1	43	-1.0	-46.90	380.15	4.59	-42.31
CSCC[C@H](NC(=O)CC1=C(C)OC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020161890	0	45	-1.0	-56.50	398.57	3.89	-52.61
CSCC[C@H](NC(=O)CC1=C(C)OC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020161890	1	45	-1.0	-56.54	398.51	3.88	-52.66
CSCC[C@H](NC(=O)C1=CN(CC2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300020161891	0	42	-1.0	-47.62	380.13	4.27	-43.35
CSCC[C@H](NC(=O)C1=CN(CC2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300020161891	1	42	-1.0	-47.62	380.07	4.25	-43.37
COC1=CC=CC=C1C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NO1	REAL300020161892	0	43	-1.0	-47.87	387.14	4.57	-43.30
COC1=CC=CC=C1C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NO1	REAL300020161892	1	43	-1.0	-47.85	387.08	4.55	-43.30
CSCC[C@H](NC(=O)COC1=CC=CC(C(C)C)=C1)C1=N[N-]N=N1	REAL300020161893	0	46	-1.0	-49.51	391.29	6.56	-42.95
CSCC[C@H](NC(=O)COC1=CC=CC(C(C)C)=C1)C1=NN=N[N-]1	REAL300020161893	1	46	-1.0	-49.53	391.35	6.57	-42.96
CSCC[C@H](NC(=O)C(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161894	0	37	-1.0	-42.13	334.70	2.33	-39.80
CSCC[C@H](NC(=O)C(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161894	1	37	-1.0	-42.14	334.76	2.35	-39.79
CSCC[C@H](NC(=O)C1=C2C(C)=NN(C)C2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL300020161895	0	48	-1.0	-44.00	408.07	5.69	-38.31
CSCC[C@H](NC(=O)C1=C2C(C)=NN(C)C2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL300020161895	1	48	-1.0	-44.05	408.13	5.71	-38.34
CSCC[C@H](NC(=O)C1=C2C(C)=NN(C)C2=NC(C)=C1)C1=N[N-]N=N1	REAL300020161896	0	44	-1.0	-44.73	380.00	4.26	-40.47
CSCC[C@H](NC(=O)C1=C2C(C)=NN(C)C2=NC(C)=C1)C1=NN=N[N-]1	REAL300020161896	1	44	-1.0	-44.72	380.06	4.27	-40.45
CSCC[C@H](NC(=O)C1=CC=CN=C1SC(F)F)C1=NN=N[N-]1	REAL300020161897	0	36	-1.0	-49.01	341.56	4.17	-44.84
CSCC[C@H](NC(=O)C1=CC=CN=C1SC(F)F)C1=N[N-]N=N1	REAL300020161897	1	36	-1.0	-49.03	341.50	4.16	-44.87
CSCC[C@H](NC(=O)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020161898	0	36	-1.0	-51.26	327.70	5.10	-46.16
CSCC[C@H](NC(=O)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020161898	1	36	-1.0	-51.28	327.75	5.12	-46.16
CSCC[C@H](NC(=O)CC(NC(N)=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161899	0	45	-1.0	-45.23	383.46	1.16	-44.07
CSCC[C@H](NC(=O)CC(NC(N)=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161899	1	45	-1.0	-45.24	383.52	1.17	-44.07
CSCC[C@H](NC(=O)CCN1C(=O)N(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161900	0	46	-1.0	-55.29	402.77	5.94	-49.35
CSCC[C@H](NC(=O)CCN1C(=O)N(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161900	1	46	-1.0	-55.31	402.83	5.95	-49.36
CSCC[C@H](NC(=O)C1=CC2=C(OC(F)F)C=CC=C2N1)C1=N[N-]N=N1	REAL300020161901	0	41	-1.0	-48.64	370.64	3.60	-45.04
CSCC[C@H](NC(=O)C1=CC2=C(OC(F)F)C=CC=C2N1)C1=NN=N[N-]1	REAL300020161901	1	41	-1.0	-48.69	370.69	3.62	-45.07
CSCC[C@H](NC(=O)CCC1=NC=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020161902	0	45	-1.0	-47.66	398.75	4.05	-43.61
CSCC[C@H](NC(=O)CCC1=NC=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020161902	1	45	-1.0	-47.65	398.80	4.06	-43.59
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1)C1=N[N-]N=N1	REAL300020161903	0	40	-1.0	-43.62	365.38	4.19	-39.43
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1)C1=NN=N[N-]1	REAL300020161903	1	40	-1.0	-43.60	365.44	4.21	-39.39
CSCC[C@H](NC(=O)C1=C2C(C)=NOC2=NC(C)=C1)C1=N[N-]N=N1	REAL300020161904	0	40	-1.0	-42.82	353.68	1.60	-41.22
CSCC[C@H](NC(=O)C1=C2C(C)=NOC2=NC(C)=C1)C1=NN=N[N-]1	REAL300020161904	1	40	-1.0	-42.82	353.74	1.61	-41.21
CSCC[C@H](NC(=O)C1=C2C(C)=NOC2=NC(C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL300020161905	0	44	-1.0	-43.62	389.74	2.90	-40.72
CSCC[C@H](NC(=O)C1=C2C(C)=NOC2=NC(C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL300020161905	1	44	-1.0	-43.58	389.69	2.88	-40.70
CSCC[C@H](NC(=O)C1=CC=C(CN2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020161906	0	43	-1.0	-53.08	381.36	5.75	-47.33
CSCC[C@H](NC(=O)C1=CC=C(CN2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020161906	1	43	-1.0	-53.07	381.31	5.74	-47.33
CSCC[C@H](NC(=O)CCCNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020161907	0	48	-1.0	-48.11	403.18	2.94	-45.17
CSCC[C@H](NC(=O)CCCNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020161907	1	48	-1.0	-48.13	403.24	2.96	-45.17
CSCC[C@H](NC(=O)CC(NC(N)=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020161908	0	42	-1.0	-53.96	385.19	0.61	-53.35
CSCC[C@H](NC(=O)CC(NC(N)=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020161908	1	42	-1.0	-53.97	385.24	0.63	-53.34
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)O1)C1=N[N-]N=N1	REAL300020161909	0	35	-1.0	-47.84	338.42	-2.91	-50.75
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)O1)C1=NN=N[N-]1	REAL300020161909	1	35	-1.0	-47.88	338.48	-2.90	-50.78
CSCC[C@H](NC(=O)C1CC(C2=CC=CC(F)=C2)=NO1)C1=N[N-]N=N1	REAL300020161910	0	41	-1.0	-50.31	372.01	5.47	-44.84
CSCC[C@H](NC(=O)C1CC(C2=CC=CC(F)=C2)=NO1)C1=NN=N[N-]1	REAL300020161910	1	41	-1.0	-50.35	372.07	5.49	-44.86
CSCC[C@H](NC(=O)C1=CC=C(CN2C=NC=N2)C=C1)C1=NN=N[N-]1	REAL300020161911	0	42	-1.0	-55.40	376.11	7.18	-48.22
CSCC[C@H](NC(=O)C1=CC=C(CN2C=NC=N2)C=C1)C1=N[N-]N=N1	REAL300020161911	1	42	-1.0	-55.40	376.06	7.17	-48.23
CSCC[C@H](NC(=O)C1=CC=C(N2CCOCC2)N=C1)C1=N[N-]N=N1	REAL300020161912	0	45	-1.0	-46.10	379.17	2.30	-43.80
CSCC[C@H](NC(=O)C1=CC=C(N2CCOCC2)N=C1)C1=NN=N[N-]1	REAL300020161912	1	45	-1.0	-46.09	379.23	2.31	-43.78
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=CC(C)=C2C)C1)C1=N[N-]N=N1	REAL300020161913	0	50	-1.0	-61.69	420.79	6.85	-54.84
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=CC(C)=C2C)C1)C1=NN=N[N-]1	REAL300020161913	1	50	-1.0	-61.71	420.85	6.86	-54.85
CSCC[C@H](NC(=O)C(C)N1C(=O)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161914	0	42	-1.0	-55.05	368.97	5.48	-49.57
CSCC[C@H](NC(=O)C(C)N1C(=O)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161914	1	42	-1.0	-55.10	369.02	5.49	-49.61
CSCC[C@H](NC(=O)CCC1=C(C)NC(=O)NC1=O)C1=N[N-]N=N1	REAL300020161915	0	42	-1.0	-58.08	368.89	0.21	-57.87
CSCC[C@H](NC(=O)CCC1=C(C)NC(=O)NC1=O)C1=NN=N[N-]1	REAL300020161915	1	42	-1.0	-58.08	368.95	0.23	-57.85
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020161916	0	38	-1.0	-48.99	345.11	5.61	-43.38
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020161916	1	38	-1.0	-48.98	345.17	5.62	-43.36
CSCC[C@H](NC(=O)C1=C(C)N(C2=NOC(C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020161917	0	46	-1.0	-50.50	399.86	6.93	-43.57
CSCC[C@H](NC(=O)C1=C(C)N(C2=NOC(C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020161917	1	46	-1.0	-50.51	399.92	6.94	-43.57
CSCC[C@H](NC(=O)CN1C(=O)N(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161918	0	43	-1.0	-52.37	381.75	5.50	-46.87
CSCC[C@H](NC(=O)CN1C(=O)N(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161918	1	43	-1.0	-52.38	381.81	5.51	-46.87
CSCC[C@H](NC(=O)C1=CC=C(SC(F)F)C=C1)C1=N[N-]N=N1	REAL300020161919	0	37	-1.0	-46.25	347.17	5.35	-40.90
CSCC[C@H](NC(=O)C1=CC=C(SC(F)F)C=C1)C1=NN=N[N-]1	REAL300020161919	1	37	-1.0	-46.26	347.23	5.36	-40.90
CSCC[C@H](NC(=O)C=CC1=CC=CC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020161920	0	43	-1.0	-49.20	375.37	7.43	-41.77
CSCC[C@H](NC(=O)C=CC1=CC=CC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020161920	1	43	-1.0	-49.17	375.43	7.44	-41.73
CSCC[C@H](NC(=O)CCN1C=NC2=C(C=CS2)C1=O)C1=NN=N[N-]1	REAL300020161921	0	41	-1.0	-48.06	379.44	4.83	-43.23
CSCC[C@H](NC(=O)CCN1C=NC2=C(C=CS2)C1=O)C1=N[N-]N=N1	REAL300020161921	1	41	-1.0	-48.07	379.39	4.82	-43.25
CSCC[C@H](NC(=O)C1=CC=CC(N2CCCS2(=O)=O)=C1)C1=N[N-]N=N1	REAL300020161922	0	45	-1.0	-68.87	395.01	2.68	-66.19
CSCC[C@H](NC(=O)C1=CC=CC(N2CCCS2(=O)=O)=C1)C1=NN=N[N-]1	REAL300020161922	1	45	-1.0	-68.86	395.07	2.69	-66.17
CSCC[C@H](NC(=O)C1=CC=C(OCC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300020161923	0	39	-1.0	-43.95	366.13	2.23	-41.72
CSCC[C@H](NC(=O)C1=CC=C(OCC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300020161923	1	39	-1.0	-43.99	366.07	2.21	-41.78
CSCC[C@H](NC(=O)CNC(=O)NCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020161924	0	48	-1.0	-45.15	418.47	2.64	-42.51
CSCC[C@H](NC(=O)CNC(=O)NCC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020161924	1	48	-1.0	-45.19	418.53	2.65	-42.54
CSCC[C@H](NC(=O)CNC(=O)NCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161925	0	45	-1.0	-45.18	403.48	2.03	-43.15
CSCC[C@H](NC(=O)CNC(=O)NCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161925	1	45	-1.0	-45.21	403.54	2.04	-43.17
CCC(C)C1=CC=CC=C1OCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161926	0	49	-1.0	-49.76	408.14	7.27	-42.49
CCC(C)C1=CC=CC=C1OCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161926	1	49	-1.0	-49.79	408.19	7.29	-42.50
CSCC[C@H](NC(=O)CN1C(=O)COC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL300020161927	0	42	-1.0	-52.20	385.67	4.01	-48.19
CSCC[C@H](NC(=O)CN1C(=O)COC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL300020161927	1	42	-1.0	-52.17	385.72	4.02	-48.15
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020161928	0	39	-1.0	-54.07	346.72	3.43	-50.64
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020161928	1	39	-1.0	-54.07	346.78	3.44	-50.63
CSCC[C@H](NC(=O)CSC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020161929	0	49	-1.0	-46.44	416.83	7.53	-38.91
CSCC[C@H](NC(=O)CSC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020161929	1	49	-1.0	-46.46	416.89	7.55	-38.91
CSCC[C@H](NC(=O)C1CC2=CC=C(C)C=C2S1)C1=N[N-]N=N1	REAL300020161930	0	41	-1.0	-48.99	366.56	6.27	-42.72
CSCC[C@H](NC(=O)C1CC2=CC=C(C)C=C2S1)C1=NN=N[N-]1	REAL300020161930	1	41	-1.0	-49.00	366.62	6.29	-42.71
CSCC[C@H](NC(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020161931	0	41	-1.0	-53.93	370.92	0.81	-53.12
CSCC[C@H](NC(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020161931	1	41	-1.0	-53.88	370.97	0.82	-53.06
COC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020161932	0	43	-1.0	-45.55	389.09	5.42	-40.13
COC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020161932	1	43	-1.0	-45.56	389.15	5.43	-40.13
COC1=CC=CC=C1N1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1=O	REAL300020161933	0	48	-1.0	-61.44	414.03	4.71	-56.73
COC1=CC=CC=C1N1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1=O	REAL300020161933	1	48	-1.0	-61.44	414.09	4.73	-56.71
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300020161934	0	41	-2.0	-88.66	378.38	4.44	-84.22
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300020161934	1	41	-2.0	-88.65	378.44	4.46	-84.19
CSCC[C@H](NC(=O)C(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020161935	0	38	-1.0	-42.12	339.47	4.60	-37.52
CSCC[C@H](NC(=O)C(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020161935	1	38	-1.0	-42.13	339.52	4.61	-37.52
CCCC1=NNC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020161936	0	39	-1.0	-43.68	344.23	2.65	-41.03
CCCC1=NNC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020161936	1	39	-1.0	-43.68	344.28	2.67	-41.01
CSCC[C@H](NC(=O)C(C)(C)OC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020161937	0	43	-1.0	-47.72	374.51	6.02	-41.70
CSCC[C@H](NC(=O)C(C)(C)OC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020161937	1	43	-1.0	-47.76	374.57	6.03	-41.73
CSCC[C@H](NC(=O)C1=CC=CC=C1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161938	0	46	-1.0	-47.86	391.51	8.31	-39.55
CSCC[C@H](NC(=O)C1=CC=CC=C1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161938	1	46	-1.0	-47.84	391.57	8.33	-39.51
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020161939	0	42	-1.0	-46.70	359.71	5.90	-40.80
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020161939	1	42	-1.0	-46.73	359.77	5.92	-40.81
CSCC[C@H](NC(=O)C12CC3CC(CC(Cl)(C3)C1)C2)C1=N[N-]N=N1	REAL300020161940	0	47	-1.0	-47.86	378.33	6.46	-41.40
CSCC[C@H](NC(=O)C12CC3CC(CC(Cl)(C3)C1)C2)C1=NN=N[N-]1	REAL300020161940	1	47	-1.0	-47.86	378.39	6.47	-41.39
CSCC[C@H](NC(=O)CN1N=C2C=CC=CN2C1=O)C1=N[N-]N=N1	REAL300020161941	0	39	-1.0	-61.64	355.86	4.48	-57.16
CSCC[C@H](NC(=O)CN1N=C2C=CC=CN2C1=O)C1=NN=N[N-]1	REAL300020161941	1	39	-1.0	-61.61	355.92	4.50	-57.11
CSCC[C@H](NC(=O)C1=CC2=C(N1)SC=C2)C1=N[N-]N=N1	REAL300020161942	0	34	-1.0	-45.34	321.63	3.12	-42.22
CSCC[C@H](NC(=O)C1=CC2=C(N1)SC=C2)C1=NN=N[N-]1	REAL300020161942	1	34	-1.0	-45.32	321.69	3.14	-42.18
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)C2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL300020161943	0	41	-1.0	-47.91	363.93	5.32	-42.59
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)C2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL300020161943	1	41	-1.0	-47.87	363.88	5.30	-42.57
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2)CCC1)C1=N[N-]N=N1	REAL300020161944	0	43	-1.0	-48.22	371.55	6.39	-41.83
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2)CCC1)C1=NN=N[N-]1	REAL300020161944	1	43	-1.0	-48.19	371.61	6.40	-41.79
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2CN1C(C)=O)C1=N[N-]N=N1	REAL300020161945	0	47	-1.0	-59.09	392.26	6.49	-52.60
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2CN1C(C)=O)C1=NN=N[N-]1	REAL300020161945	1	47	-1.0	-59.08	392.32	6.50	-52.58
CSCC[C@H](NC(=O)CCN1N=C(C)C=C1C)C1=N[N-]N=N1	REAL300020161946	0	42	-1.0	-48.69	367.10	3.82	-44.87
CSCC[C@H](NC(=O)CCN1N=C(C)C=C1C)C1=NN=N[N-]1	REAL300020161946	1	42	-1.0	-48.68	367.16	3.84	-44.84
CSCC[C@H](NC(=O)CCNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020161947	0	45	-1.0	-54.10	381.68	2.14	-51.96
CSCC[C@H](NC(=O)CCNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020161947	1	45	-1.0	-54.08	381.74	2.15	-51.93
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2)CCCC1)C1=N[N-]N=N1	REAL300020161948	0	46	-1.0	-45.47	381.91	7.34	-38.13
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2)CCCC1)C1=NN=N[N-]1	REAL300020161948	1	46	-1.0	-45.45	381.96	7.36	-38.09
CSCC[C@H](NC(=O)C1=C2CCCC2=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020161949	0	45	-1.0	-50.35	386.59	6.06	-44.29
CSCC[C@H](NC(=O)C1=C2CCCC2=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020161949	1	45	-1.0	-50.35	386.65	6.08	-44.27
CSCC[C@H](NC(=O)C1=NN2C(=N1)N=CC=C2C)C1=N[N-]N=N1	REAL300020161950	0	37	-1.0	-57.73	339.98	4.81	-52.92
CSCC[C@H](NC(=O)C1=NN2C(=N1)N=CC=C2C)C1=NN=N[N-]1	REAL300020161950	1	37	-1.0	-57.72	340.03	4.82	-52.90
CSCC[C@H](NC(=O)C1CSC2(C)CCC(=O)N12)C1=N[N-]N=N1	REAL300020161951	0	42	-1.0	-55.84	364.52	4.51	-51.33
CSCC[C@H](NC(=O)C1CSC2(C)CCC(=O)N12)C1=NN=N[N-]1	REAL300020161951	1	42	-1.0	-55.83	364.58	4.52	-51.31
CSCC[C@H](NC(=O)C1(C)CC2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL300020161952	0	43	-1.0	-48.05	372.22	5.49	-42.56
CSCC[C@H](NC(=O)C1(C)CC2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL300020161952	1	43	-1.0	-48.04	372.28	5.51	-42.53
CSCC[C@H](NC(=O)C1CCCN1S(C)(=O)=O)C1=N[N-]N=N1	REAL300020161953	0	41	-1.0	-63.83	359.29	1.22	-62.61
CSCC[C@H](NC(=O)C1CCCN1S(C)(=O)=O)C1=NN=N[N-]1	REAL300020161953	1	41	-1.0	-63.76	359.34	1.24	-62.52
CSCC[C@H](NC(=O)C1=CNC(=S)N1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161954	0	41	-1.0	-54.92	380.83	6.58	-48.34
CSCC[C@H](NC(=O)C1=CNC(=S)N1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161954	1	41	-1.0	-54.97	380.88	6.60	-48.37
CSCC[C@H](NC(=O)CN1C(=S)NN=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300020161955	0	40	-1.0	-46.14	383.77	5.63	-40.51
CSCC[C@H](NC(=O)CN1C(=S)NN=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300020161955	1	40	-1.0	-46.15	383.83	5.65	-40.50
CSCC[C@H](NC(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300020161955	1	39	-2.0	-98.87	380.36	5.47	-93.40
CSCC[C@H](NC(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300020161955	1	39	-2.0	-98.82	380.42	5.49	-93.33
CSCC[C@H](NC(=O)C1=CC(C(C)=O)=CN1C)C1=N[N-]N=N1	REAL300020161956	0	39	-1.0	-51.71	348.12	4.05	-47.66
CSCC[C@H](NC(=O)C1=CC(C(C)=O)=CN1C)C1=NN=N[N-]1	REAL300020161956	1	39	-1.0	-51.69	348.18	4.07	-47.62
CSCC[C@H](NC(=O)C1=NOC(C2CC2)=C1)C1=N[N-]N=N1	REAL300020161957	0	36	-1.0	-44.80	329.81	3.76	-41.04
CSCC[C@H](NC(=O)C1=NOC(C2CC2)=C1)C1=NN=N[N-]1	REAL300020161957	1	36	-1.0	-44.77	329.86	3.77	-41.00
CSCC[C@H](NC(=O)C1=NC(SC)=NC=C1Cl)C1=NN=N[N-]1	REAL300020161958	0	35	-1.0	-43.98	345.54	3.23	-40.75
CSCC[C@H](NC(=O)C1=NC(SC)=NC=C1Cl)C1=N[N-]N=N1	REAL300020161958	1	35	-1.0	-43.96	345.48	3.22	-40.74
CSCC[C@H](NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2)C1=N[N-]N=N1	REAL300020161959	0	53	-1.0	-47.69	402.68	6.99	-40.70
CSCC[C@H](NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2)C1=NN=N[N-]1	REAL300020161959	1	53	-1.0	-47.69	402.74	7.00	-40.69
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CCC1)C1=N[N-]N=N1	REAL300020161960	0	43	-1.0	-44.77	381.35	6.87	-37.90
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CCC1)C1=NN=N[N-]1	REAL300020161960	1	43	-1.0	-44.79	381.41	6.89	-37.90
CSCC[C@H](NC(=O)C1(C2=CC=CC(F)=C2)CCC1)C1=N[N-]N=N1	REAL300020161961	0	43	-1.0	-45.46	371.03	6.42	-39.04
CSCC[C@H](NC(=O)C1(C2=CC=CC(F)=C2)CCC1)C1=NN=N[N-]1	REAL300020161961	1	43	-1.0	-45.43	371.09	6.43	-39.00
CSCC[C@H](NC(=O)C1(C2=CC=CC(C)=C2)CCC1)C1=N[N-]N=N1	REAL300020161962	0	46	-1.0	-44.80	386.01	7.02	-37.78
CSCC[C@H](NC(=O)C1(C2=CC=CC(C)=C2)CCC1)C1=NN=N[N-]1	REAL300020161962	1	46	-1.0	-44.77	386.06	7.03	-37.74
CSCC[C@H](NC(=O)CCC1=NC(C)=NO1)C1=N[N-]N=N1	REAL300020161963	0	37	-1.0	-44.98	335.13	1.16	-43.82
CSCC[C@H](NC(=O)CCC1=NC(C)=NO1)C1=NN=N[N-]1	REAL300020161963	1	37	-1.0	-44.99	335.19	1.18	-43.81
CSCC[C@H](NC(=O)C1(C2=CC=C(Br)C=C2)CC1)C1=N[N-]N=N1	REAL300020161964	0	40	-1.0	-48.33	372.04	6.49	-41.84
CSCC[C@H](NC(=O)C1(C2=CC=C(Br)C=C2)CC1)C1=NN=N[N-]1	REAL300020161964	1	40	-1.0	-48.32	372.10	6.51	-41.81
CSCC[C@H](NC(=O)C1=CC=C(C2=NC(C)=NO2)C=C1)C1=NN=N[N-]1	REAL300020161965	0	41	-1.0	-45.84	369.94	3.48	-42.36
CSCC[C@H](NC(=O)C1=CC=C(C2=NC(C)=NO2)C=C1)C1=N[N-]N=N1	REAL300020161965	1	41	-1.0	-45.83	369.88	3.46	-42.37
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161966	0	48	-1.0	-53.28	407.21	6.23	-47.05
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161966	1	48	-1.0	-53.32	407.16	6.21	-47.11
CSCC[C@H](NC(=O)C1=CC=CN=C1NC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020161967	0	44	-1.0	-53.26	383.78	6.96	-46.30
CSCC[C@H](NC(=O)C1=CC=CN=C1NC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020161967	1	44	-1.0	-53.28	383.72	6.94	-46.34
CSCC[C@H](NC(=O)C1=C(N2C=CC=C2)N(C)N=C1)C1=NN=N[N-]1	REAL300020161968	0	41	-1.0	-47.88	359.80	5.39	-42.49
CSCC[C@H](NC(=O)C1=C(N2C=CC=C2)N(C)N=C1)C1=N[N-]N=N1	REAL300020161968	1	41	-1.0	-47.85	359.74	5.37	-42.48
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020161969	0	47	-1.0	-50.72	409.48	6.11	-44.61
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020161969	1	47	-1.0	-50.73	409.54	6.12	-44.61
COC1=CC(OC)=C2NC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC2=C1	REAL300020161970	0	45	-1.0	-47.11	390.30	2.61	-44.50
COC1=CC(OC)=C2NC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC2=C1	REAL300020161970	1	45	-1.0	-47.11	390.36	2.62	-44.49
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C([N+](=O)[O-])C=C1OC	REAL300020161971	0	43	-1.0	-54.41	380.45	4.99	-49.42
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C([N+](=O)[O-])C=C1OC	REAL300020161971	1	43	-1.0	-54.45	380.50	5.01	-49.44
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCC1)C1=N[N-]N=N1	REAL300020161972	0	43	-1.0	-44.86	364.52	6.36	-38.50
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCC1)C1=NN=N[N-]1	REAL300020161972	1	43	-1.0	-44.89	364.58	6.37	-38.52
CSCC[C@H](NC(=O)CCC1=NN=C(C2=CSC=C2)O1)C1=N[N-]N=N1	REAL300020161973	0	41	-1.0	-46.77	385.22	0.42	-46.35
CSCC[C@H](NC(=O)CCC1=NN=C(C2=CSC=C2)O1)C1=NN=N[N-]1	REAL300020161973	1	41	-1.0	-46.80	385.27	0.43	-46.37
CSCC[C@H](NC(=O)C1=CC=CC=C1N(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL300020161974	0	44	-1.0	-67.69	389.12	3.16	-64.53
CSCC[C@H](NC(=O)C1=CC=CC=C1N(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL300020161974	1	44	-1.0	-67.58	389.17	3.17	-64.41
CSCC[C@H](NC(=O)CSC1=NN=CN1C(C)C)C1=NN=N[N-]1	REAL300020161975	0	42	-1.0	-48.58	380.91	5.81	-42.77
CSCC[C@H](NC(=O)CSC1=NN=CN1C(C)C)C1=N[N-]N=N1	REAL300020161975	1	42	-1.0	-48.61	380.85	5.80	-42.81
CSCC[C@H](NC(=O)CSC1=NN=NN1C1CCCC1)C1=NN=N[N-]1	REAL300020161976	0	45	-1.0	-44.71	400.86	4.27	-40.44
CSCC[C@H](NC(=O)CSC1=NN=NN1C1CCCC1)C1=N[N-]N=N1	REAL300020161976	1	45	-1.0	-44.72	400.80	4.25	-40.47
CSCC[C@H](NC(=O)CSC1=NN=NN1C1CC1)C1=NN=N[N-]1	REAL300020161977	0	39	-1.0	-45.64	367.36	3.02	-42.62
CSCC[C@H](NC(=O)CSC1=NN=NN1C1CC1)C1=N[N-]N=N1	REAL300020161977	1	39	-1.0	-45.64	367.30	3.00	-42.64
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020161978	0	38	-1.0	-44.41	348.31	2.93	-41.48
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020161978	1	38	-1.0	-44.45	348.25	2.91	-41.54
CSCC[C@H](NC(=O)C1=CC=CC=C1C(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020161979	0	48	-1.0	-50.72	416.64	8.14	-42.58
CSCC[C@H](NC(=O)C1=CC=CC=C1C(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020161979	1	48	-1.0	-50.73	416.70	8.15	-42.58
CSCC[C@H](NC(=O)C1=CC(C)=C(C)S1)C1=N[N-]N=N1	REAL300020161980	0	36	-1.0	-46.26	331.16	4.49	-41.77
CSCC[C@H](NC(=O)C1=CC(C)=C(C)S1)C1=NN=N[N-]1	REAL300020161980	1	36	-1.0	-46.23	331.21	4.51	-41.72
CSCC[C@H](NC(=O)CC1=C(C)C2=CC=CC=C2N=C1C)C1=N[N-]N=N1	REAL300020161981	0	47	-1.0	-53.16	394.11	6.00	-47.16
CSCC[C@H](NC(=O)CC1=C(C)C2=CC=CC=C2N=C1C)C1=NN=N[N-]1	REAL300020161981	1	47	-1.0	-53.16	394.17	6.01	-47.15
CCC1=NC2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2N=C1CC	REAL300020161982	0	49	-1.0	-50.28	413.11	5.02	-45.26
CCC1=NC2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2N=C1CC	REAL300020161982	1	49	-1.0	-50.26	413.17	5.04	-45.22
CSCC[C@H](NC(=O)C1=CC(SC)=CC=C1C)C1=N[N-]N=N1	REAL300020161983	0	40	-1.0	-46.19	353.76	5.78	-40.41
CSCC[C@H](NC(=O)C1=CC(SC)=CC=C1C)C1=NN=N[N-]1	REAL300020161983	1	40	-1.0	-46.17	353.82	5.80	-40.37
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)C=CO1)C1=N[N-]N=N1	REAL300020161984	0	40	-1.0	-48.04	357.57	5.74	-42.30
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)C=CO1)C1=NN=N[N-]1	REAL300020161984	1	40	-1.0	-48.01	357.63	5.76	-42.25
CSCC[C@H](NC(=O)C1=C(Cl)C2=C(C)C=CC=C2S1)C1=N[N-]N=N1	REAL300020161985	0	39	-1.0	-47.41	363.84	6.44	-40.97
CSCC[C@H](NC(=O)C1=C(Cl)C2=C(C)C=CC=C2S1)C1=NN=N[N-]1	REAL300020161985	1	39	-1.0	-47.45	363.90	6.46	-40.99
CSCC[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL300020161986	0	47	-1.0	-48.75	357.75	5.91	-42.84
CSCC[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL300020161986	1	47	-1.0	-48.71	357.81	5.92	-42.79
CSCC[C@H](NC(=O)C1=C(N2C(C)=CC=C2C)SC=C1)C1=N[N-]N=N1	REAL300020161987	0	44	-1.0	-50.10	386.85	7.05	-43.05
CSCC[C@H](NC(=O)C1=C(N2C(C)=CC=C2C)SC=C1)C1=NN=N[N-]1	REAL300020161987	1	44	-1.0	-50.10	386.91	7.05	-43.05
CSCC[C@H](NC(=O)CCCOC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020161988	0	46	-1.0	-49.07	393.60	5.91	-43.16
CSCC[C@H](NC(=O)CCCOC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020161988	1	46	-1.0	-49.12	393.66	5.92	-43.20
CSCC[C@H](NC(=O)C1=CC=CN=C1N1C=CC=N1)C1=NN=N[N-]1	REAL300020161989	0	39	-1.0	-51.89	350.76	4.88	-47.01
CSCC[C@H](NC(=O)C1=CC=CN=C1N1C=CC=N1)C1=N[N-]N=N1	REAL300020161989	1	39	-1.0	-51.84	350.70	4.87	-46.97
CSCC[C@H](NC(=O)C1=CC=CC2=CNN=C21)C1=NN=N[N-]1	REAL300020161990	0	36	-1.0	-61.58	324.26	2.89	-58.69
CSCC[C@H](NC(=O)C1=CC=CC2=CNN=C21)C1=N[N-]N=N1	REAL300020161990	1	36	-1.0	-61.61	324.20	2.87	-58.74
CSCC[C@H](NC(=O)CSCC1=CN2C=C(C)C=CC2=N1)C1=N[N-]N=N1	REAL300020161991	0	46	-1.0	-54.66	414.95	7.25	-47.41
CSCC[C@H](NC(=O)CSCC1=CN2C=C(C)C=CC2=N1)C1=NN=N[N-]1	REAL300020161991	1	46	-1.0	-54.68	415.01	7.26	-47.42
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020161992	0	48	-1.0	-54.50	425.01	6.26	-48.24
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020161992	1	48	-1.0	-54.52	424.96	6.25	-48.27
CSCC[C@H](NC(=O)C1=NN(C2=NN=CN2)C(C)=N1)C1=N[N-]N=N1	REAL300020161993	0	38	-1.0	-49.55	350.21	5.82	-43.73
CSCC[C@H](NC(=O)C1=NN(C2=NN=CN2)C(C)=N1)C1=NN=N[N-]1	REAL300020161993	1	38	-1.0	-49.53	350.26	5.83	-43.70
CSCC[C@H](NC(=O)C1=CC=C(N2C=NC=N2)N=C1)C1=NN=N[N-]1	REAL300020161994	0	38	-1.0	-45.73	347.98	5.95	-39.78
CSCC[C@H](NC(=O)C1=CC=C(N2C=NC=N2)N=C1)C1=N[N-]N=N1	REAL300020161994	1	38	-1.0	-45.72	347.93	5.94	-39.78
CSCC[C@H](NC(=O)C1=CN=C2ON=C(C)C2=C1)C1=N[N-]N=N1	REAL300020161995	0	37	-1.0	-43.91	335.96	1.52	-42.39
CSCC[C@H](NC(=O)C1=CN=C2ON=C(C)C2=C1)C1=NN=N[N-]1	REAL300020161995	1	37	-1.0	-43.90	336.02	1.53	-42.37
CSCC[C@H](NC(=O)CCCOC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020161996	0	43	-1.0	-48.48	379.94	5.22	-43.26
CSCC[C@H](NC(=O)CCCOC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020161996	1	43	-1.0	-48.50	379.99	5.24	-43.26
CSCC[C@H](NC(=O)C1CCCCN1C(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020161997	0	47	-1.0	-55.22	399.94	6.14	-49.08
CSCC[C@H](NC(=O)C1CCCCN1C(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020161997	1	47	-1.0	-55.23	400.00	6.15	-49.08
CSCC[C@H](NC(=O)C1=CC=CC=C1CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020161998	0	49	-1.0	-50.18	412.44	9.23	-40.95
CSCC[C@H](NC(=O)C1=CC=CC=C1CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020161998	1	49	-1.0	-50.19	412.49	9.24	-40.95
CSCC[C@H](NC(=O)C1(C2=CC=C(Cl)C=C2)CC1)C1=N[N-]N=N1	REAL300020161999	0	40	-1.0	-48.48	367.48	6.39	-42.09
CSCC[C@H](NC(=O)C1(C2=CC=C(Cl)C=C2)CC1)C1=NN=N[N-]1	REAL300020161999	1	40	-1.0	-48.46	367.53	6.40	-42.06
CSCC[C@H](NC(=O)C1=CC(C)=NC2=CC=C(C)C=C21)C1=N[N-]N=N1	REAL300020162000	0	44	-1.0	-47.32	376.66	5.73	-41.59
CSCC[C@H](NC(=O)C1=CC(C)=NC2=CC=C(C)C=C21)C1=NN=N[N-]1	REAL300020162000	1	44	-1.0	-47.34	376.72	5.74	-41.60
CSCC[C@H](NC(=O)C1=CC=CN=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162001	0	43	-1.0	-51.03	390.88	6.67	-44.36
CSCC[C@H](NC(=O)C1=CC=CN=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162001	1	43	-1.0	-51.06	390.82	6.66	-44.40
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162002	0	42	-1.0	-48.39	352.79	5.69	-42.70
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162002	1	42	-1.0	-48.45	352.84	5.71	-42.74
CSCC[C@H](NC(=O)C1CC2CCCC(C1)C2=O)C1=N[N-]N=N1	REAL300020162003	0	45	-1.0	-51.56	360.12	4.85	-46.71
CSCC[C@H](NC(=O)C1CC2CCCC(C1)C2=O)C1=NN=N[N-]1	REAL300020162003	1	45	-1.0	-51.51	360.17	4.87	-46.64
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300020162004	0	41	-2.0	-110.11	382.33	4.89	-105.22
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300020162004	1	41	-2.0	-110.11	382.39	4.91	-105.20
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=CC=C2NC1=S)C1=N[N-]N=N1	REAL300020162004	1	42	-1.0	-56.99	385.44	5.34	-51.65
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=CC=C2NC1=S)C1=NN=N[N-]1	REAL300020162004	1	42	-1.0	-57.02	385.50	5.35	-51.67
CSCC[C@H](NC(=O)C1=CC=NC2=NC=NN21)C1=NN=N[N-]1	REAL300020162005	0	34	-1.0	-48.49	312.57	5.39	-43.10
CSCC[C@H](NC(=O)C1=CC=NC2=NC=NN21)C1=N[N-]N=N1	REAL300020162005	1	34	-1.0	-48.49	312.52	5.38	-43.11
CSCC[C@H](NC(=O)C(=CC1=CC=CC=C1)N1N=NN=C1C)C1=N[N-]N=N1	REAL300020162006	0	45	-1.0	-39.88	395.96	5.09	-34.79
CSCC[C@H](NC(=O)C(=CC1=CC=CC=C1)N1N=NN=C1C)C1=NN=N[N-]1	REAL300020162006	1	45	-1.0	-39.87	396.02	5.12	-34.75
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C=NN=N1)C1=NN=N[N-]1	REAL300020162007	0	38	-1.0	-62.67	343.52	4.89	-57.78
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C=NN=N1)C1=N[N-]N=N1	REAL300020162007	1	38	-1.0	-62.69	343.46	4.87	-57.82
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)N1C=NN=N1)C1=NN=N[N-]1	REAL300020162008	0	44	-1.0	-42.98	390.74	5.41	-37.57
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)N1C=NN=N1)C1=N[N-]N=N1	REAL300020162008	1	44	-1.0	-43.00	390.68	5.40	-37.60
CSCC[C@H](NC(=O)C1=CC=C(COC2=CC=C(F)C=C2)O1)C1=N[N-]N=N1	REAL300020162009	0	44	-1.0	-47.88	399.96	5.60	-42.28
CSCC[C@H](NC(=O)C1=CC=C(COC2=CC=C(F)C=C2)O1)C1=NN=N[N-]1	REAL300020162009	1	44	-1.0	-47.83	400.01	5.62	-42.21
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL300020162010	0	40	-1.0	-48.07	363.18	3.36	-44.71
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL300020162010	1	40	-1.0	-48.09	363.24	3.38	-44.71
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020162011	0	47	-1.0	-51.14	386.05	6.64	-44.50
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020162011	1	47	-1.0	-51.15	386.11	6.66	-44.49
CCOC1=CC=C(OC(C)(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162012	0	50	-1.0	-49.18	408.98	5.73	-43.45
CCOC1=CC=C(OC(C)(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162012	1	50	-1.0	-49.20	409.04	5.74	-43.46
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=N2)N=C1)C1=NN=N[N-]1	REAL300020162013	0	39	-1.0	-46.65	353.18	4.60	-42.05
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=N2)N=C1)C1=N[N-]N=N1	REAL300020162013	1	39	-1.0	-46.66	353.12	4.58	-42.08
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020162014	0	36	-1.0	-44.20	346.69	3.89	-40.31
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020162014	1	36	-1.0	-44.22	346.75	3.90	-40.32
CSCC[C@H](NC(=O)CCN1C=NC2=C(C=NN2C)C1=O)C1=NN=N[N-]1	REAL300020162015	0	44	-1.0	-57.72	392.14	4.45	-53.27
CSCC[C@H](NC(=O)CCN1C=NC2=C(C=NN2C)C1=O)C1=N[N-]N=N1	REAL300020162015	1	44	-1.0	-57.70	392.08	4.44	-53.26
CSCC[C@H](NC(=O)C1=C(C)N2N=C(C)C=C2N=C1)C1=N[N-]N=N1	REAL300020162016	0	41	-1.0	-45.03	357.70	4.19	-40.84
CSCC[C@H](NC(=O)C1=C(C)N2N=C(C)C=C2N=C1)C1=NN=N[N-]1	REAL300020162016	1	41	-1.0	-45.05	357.75	4.21	-40.84
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C(=O)N(C)C(=O)N2C)C1=N[N-]N=N1	REAL300020162017	0	44	-1.0	-47.10	385.45	3.75	-43.35
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C(=O)N(C)C(=O)N2C)C1=NN=N[N-]1	REAL300020162017	1	44	-1.0	-47.12	385.51	3.77	-43.35
CSCC[C@H](NC(=O)CCCNC(=O)NC1CCCCC1)C1=N[N-]N=N1	REAL300020162018	0	54	-1.0	-49.55	443.04	3.09	-46.46
CSCC[C@H](NC(=O)CCCNC(=O)NC1CCCCC1)C1=NN=N[N-]1	REAL300020162018	1	54	-1.0	-49.56	443.10	3.11	-46.45
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C1=N[N-]N=N1	REAL300020162019	0	39	-1.0	-51.10	354.03	1.10	-50.00
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C1=NN=N[N-]1	REAL300020162019	1	39	-1.0	-51.06	354.09	1.12	-49.94
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL300020162020	0	33	-1.0	-43.52	320.92	4.35	-39.17
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL300020162020	1	33	-1.0	-43.51	320.98	4.36	-39.15
CSCC[C@H](NC(=O)C1=CSC2=C1CCC(C)C2)C1=N[N-]N=N1	REAL300020162021	0	43	-1.0	-47.08	369.29	6.25	-40.83
CSCC[C@H](NC(=O)C1=CSC2=C1CCC(C)C2)C1=NN=N[N-]1	REAL300020162021	1	43	-1.0	-47.09	369.35	6.27	-40.82
CCCCC1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020162022	0	51	-1.0	-46.01	405.38	7.13	-38.88
CCCCC1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020162022	1	51	-1.0	-46.02	405.44	7.14	-38.88
CSCC[C@H](NC(=O)C1CC1(Cl)Cl)C1=N[N-]N=N1	REAL300020162023	0	30	-1.0	-43.47	302.80	3.66	-39.81
CSCC[C@H](NC(=O)C1CC1(Cl)Cl)C1=NN=N[N-]1	REAL300020162023	1	30	-1.0	-43.49	302.86	3.67	-39.82
CSCC[C@H](NC(=O)C1=CC=C(CN2C=CC=CC2=O)O1)C1=N[N-]N=N1	REAL300020162024	0	43	-1.0	-61.21	388.87	5.04	-56.17
CSCC[C@H](NC(=O)C1=CC=C(CN2C=CC=CC2=O)O1)C1=NN=N[N-]1	REAL300020162024	1	43	-1.0	-61.20	388.93	5.06	-56.14
CSCC[C@H](NC(=O)C(C)NC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020162025	0	45	-1.0	-42.58	379.11	2.35	-40.23
CSCC[C@H](NC(=O)C(C)NC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020162025	1	45	-1.0	-42.57	379.17	2.37	-40.20
CSCC[C@H](NC(=O)C12CCC(=O)N1CCS2)C1=N[N-]N=N1	REAL300020162026	0	39	-1.0	-48.51	349.73	2.67	-45.84
CSCC[C@H](NC(=O)C12CCC(=O)N1CCS2)C1=NN=N[N-]1	REAL300020162026	1	39	-1.0	-48.54	349.78	2.69	-45.85
CSCC[C@H](NC(=O)C1=C(C)N=C(C)S1)C1=N[N-]N=N1	REAL300020162027	0	35	-1.0	-45.06	323.65	2.57	-42.49
CSCC[C@H](NC(=O)C1=C(C)N=C(C)S1)C1=NN=N[N-]1	REAL300020162027	1	35	-1.0	-45.04	323.71	2.59	-42.45
CSCC[C@H](NC(=O)C(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020162028	0	48	-1.0	-45.72	423.32	6.12	-39.60
CSCC[C@H](NC(=O)C(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020162028	1	48	-1.0	-45.71	423.38	6.13	-39.58
CSCC[C@H](NC(=O)CC1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL300020162029	0	42	-1.0	-49.77	363.02	3.50	-46.27
CSCC[C@H](NC(=O)CC1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL300020162029	1	42	-1.0	-49.75	363.07	3.51	-46.24
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162030	0	45	-1.0	-56.41	390.22	6.61	-49.80
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162030	1	45	-1.0	-56.41	390.27	6.62	-49.79
CSCC[C@H](NC(=O)CC1=CC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020162031	0	41	-1.0	-54.54	362.23	5.30	-49.24
CSCC[C@H](NC(=O)CC1=CC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020162031	1	41	-1.0	-54.55	362.18	5.28	-49.27
CSCC[C@H](NC(=O)COC1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL300020162032	0	45	-1.0	-51.60	390.92	3.83	-47.77
CSCC[C@H](NC(=O)COC1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL300020162032	1	45	-1.0	-51.61	390.98	3.84	-47.77
CSCC[C@H](NC(=O)C1OC2=CC=CC=C2OC1C)C1=N[N-]N=N1	REAL300020162033	0	42	-1.0	-52.53	356.03	5.45	-47.08
CSCC[C@H](NC(=O)C1OC2=CC=CC=C2OC1C)C1=NN=N[N-]1	REAL300020162033	1	42	-1.0	-52.53	356.09	5.45	-47.08
CSCC[C@H](NC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C1=N[N-]N=N1	REAL300020162034	0	38	-1.0	-50.77	347.81	4.44	-46.33
CSCC[C@H](NC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C1=NN=N[N-]1	REAL300020162034	1	38	-1.0	-50.79	347.87	4.45	-46.34
CSCC[C@H](NC(=O)C1=CC2=CC=C(C(C)C)C=C2N1)C1=N[N-]N=N1	REAL300020162035	0	46	-1.0	-45.31	391.33	5.94	-39.37
CSCC[C@H](NC(=O)C1=CC2=CC=C(C(C)C)C=C2N1)C1=NN=N[N-]1	REAL300020162035	1	46	-1.0	-45.30	391.39	5.95	-39.35
CSCC[C@H](NC(=O)C1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162036	0	43	-1.0	-46.69	357.24	6.42	-40.27
CSCC[C@H](NC(=O)C1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162036	1	43	-1.0	-46.74	357.30	6.44	-40.30
COC1=NC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162037	0	36	-1.0	-51.48	322.61	2.07	-49.41
COC1=NC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162037	1	36	-1.0	-51.48	322.56	2.05	-49.43
CSCC[C@H](NC(=O)C1(C2=CC=CC(Br)=C2)CC1)C1=N[N-]N=N1	REAL300020162038	0	40	-1.0	-44.46	369.93	6.40	-38.06
CSCC[C@H](NC(=O)C1(C2=CC=CC(Br)=C2)CC1)C1=NN=N[N-]1	REAL300020162038	1	40	-1.0	-44.46	369.99	6.41	-38.05
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020162039	0	40	-1.0	-50.08	354.92	5.29	-44.79
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020162039	1	40	-1.0	-50.09	354.97	5.30	-44.79
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300020162040	0	38	-1.0	-42.89	349.32	4.04	-38.85
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300020162040	1	38	-1.0	-42.85	349.38	4.06	-38.79
CCCCSCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162041	0	39	-1.0	-46.74	349.67	4.68	-42.06
CCCCSCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162041	1	39	-1.0	-46.73	349.73	4.69	-42.04
CSCC[C@H](NC(=O)C1=CC2=CC=C(Cl)C=C2N=C1C)C1=N[N-]N=N1	REAL300020162042	0	41	-1.0	-44.79	371.77	5.64	-39.15
CSCC[C@H](NC(=O)C1=CC2=CC=C(Cl)C=C2N=C1C)C1=NN=N[N-]1	REAL300020162042	1	41	-1.0	-44.80	371.82	5.65	-39.15
CCCCCCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162043	0	47	-1.0	-45.37	391.13	6.45	-38.92
CCCCCCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162043	1	47	-1.0	-45.37	391.19	6.46	-38.91
CCCCCCCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162044	0	50	-1.0	-45.29	412.63	7.23	-38.06
CCCCCCCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162044	1	50	-1.0	-45.23	412.69	7.25	-37.98
CSCC[C@H](NC(=O)C=CC1=CC=C(N(C)C)C=C1)C1=N[N-]N=N1	REAL300020162045	0	45	-1.0	-48.03	382.89	5.65	-42.38
CSCC[C@H](NC(=O)C=CC1=CC=C(N(C)C)C=C1)C1=NN=N[N-]1	REAL300020162045	1	45	-1.0	-48.00	382.95	5.66	-42.34
CSCC[C@H](NC(=O)C(C)N1C(=O)C2=CC=C(C)C=C2C1=O)C1=N[N-]N=N1	REAL300020162046	0	46	-1.0	-56.43	402.28	5.85	-50.58
CSCC[C@H](NC(=O)C(C)N1C(=O)C2=CC=C(C)C=C2C1=O)C1=NN=N[N-]1	REAL300020162046	1	46	-1.0	-56.45	402.34	5.87	-50.58
CSCC[C@H](NC(=O)C1=CC=CN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162047	0	44	-1.0	-49.70	379.16	7.36	-42.34
CSCC[C@H](NC(=O)C1=CC=CN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162047	1	44	-1.0	-49.70	379.21	7.39	-42.31
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(N)=O)C1)C1=N[N-]N=N1	REAL300020162048	0	46	-1.0	-49.70	403.68	1.31	-48.39
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(N)=O)C1)C1=NN=N[N-]1	REAL300020162048	1	46	-1.0	-49.66	403.73	1.32	-48.34
CSCC[C@H](NC(=O)C1=CC=C(C)C(NS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020162049	0	44	-1.0	-56.50	389.30	1.57	-54.93
CSCC[C@H](NC(=O)C1=CC=C(C)C(NS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020162049	1	44	-1.0	-56.51	389.36	1.58	-54.93
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)N=C1)C1=N[N-]N=N1	REAL300020162050	0	46	-1.0	-48.07	394.88	6.30	-41.77
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)N=C1)C1=NN=N[N-]1	REAL300020162050	1	46	-1.0	-48.08	394.94	6.32	-41.76
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCCC1)C1=N[N-]N=N1	REAL300020162051	0	46	-1.0	-46.51	374.98	7.29	-39.22
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCCC1)C1=NN=N[N-]1	REAL300020162051	1	46	-1.0	-46.54	375.04	7.31	-39.23
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL300020162052	0	42	-1.0	-50.17	370.49	5.39	-44.78
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL300020162052	1	42	-1.0	-50.15	370.43	5.37	-44.78
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300020162053	0	39	-1.0	-46.64	354.88	3.79	-42.85
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300020162053	1	39	-1.0	-46.69	354.82	3.78	-42.91
CSCC[C@H](NC(=O)C12CCC(=O)N1C1=CC=CC=C1S2)C1=N[N-]N=N1	REAL300020162054	0	43	-1.0	-55.08	388.26	5.34	-49.74
CSCC[C@H](NC(=O)C12CCC(=O)N1C1=CC=CC=C1S2)C1=NN=N[N-]1	REAL300020162054	1	43	-1.0	-55.09	388.32	5.35	-49.74
CSCC[C@H](NC(=O)C1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020162055	0	33	-1.0	-51.24	323.31	4.41	-46.83
CSCC[C@H](NC(=O)C1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020162055	1	33	-1.0	-51.20	323.36	4.43	-46.77
CSCC[C@H](NC(=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020162056	0	33	-1.0	-52.43	313.81	4.03	-48.40
CSCC[C@H](NC(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020162056	1	33	-1.0	-52.42	313.87	4.05	-48.37
CSCC[C@H](NC(=O)C1(C2=CC=CC(F)=C2)CCCC1)C1=N[N-]N=N1	REAL300020162057	0	46	-1.0	-45.17	380.94	7.48	-37.69
CSCC[C@H](NC(=O)C1(C2=CC=CC(F)=C2)CCCC1)C1=NN=N[N-]1	REAL300020162057	1	46	-1.0	-45.15	381.00	7.50	-37.65
CSCC[C@H](NC(=O)C1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020162058	0	50	-1.0	-61.28	411.42	4.44	-56.84
CSCC[C@H](NC(=O)C1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020162058	1	50	-1.0	-61.30	411.48	4.45	-56.85
CCS(=O)(=O)NC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162059	0	44	-1.0	-50.08	392.37	1.72	-48.36
CCS(=O)(=O)NC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162059	1	44	-1.0	-50.11	392.42	1.73	-48.38
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(C)C=C2)N=C1)C1=N[N-]N=N1	REAL300020162060	0	46	-1.0	-47.23	396.48	6.36	-40.87
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(C)C=C2)N=C1)C1=NN=N[N-]1	REAL300020162060	1	46	-1.0	-47.27	396.54	6.39	-40.88
CCCS(=O)(=O)NC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162061	0	47	-1.0	-49.91	413.86	2.51	-47.40
CCCS(=O)(=O)NC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162061	1	47	-1.0	-49.87	413.92	2.52	-47.35
CSCC[C@H](NC(=O)CSCC(=O)N1CCCCC1)C1=N[N-]N=N1	REAL300020162062	0	47	-1.0	-56.69	403.82	4.72	-51.97
CSCC[C@H](NC(=O)CSCC(=O)N1CCCCC1)C1=NN=N[N-]1	REAL300020162062	1	47	-1.0	-56.73	403.88	4.73	-52.00
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(F)(F)F)C1=N[N-]N=N1	REAL300020162063	0	37	-1.0	-46.30	349.44	5.54	-40.76
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(F)(F)F)C1=NN=N[N-]1	REAL300020162063	1	37	-1.0	-46.29	349.50	5.55	-40.74
CSCC[C@H](NC(=O)CCC1=NC(C2=CC=CO2)=NO1)C1=NN=N[N-]1	REAL300020162064	0	41	-1.0	-47.74	375.99	2.24	-45.50
CSCC[C@H](NC(=O)CCC1=NC(C2=CC=CO2)=NO1)C1=N[N-]N=N1	REAL300020162064	1	41	-1.0	-47.70	375.94	2.22	-45.48
CSCC[C@H](NC(=O)CN1N=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020162065	0	41	-1.0	-54.25	373.84	3.77	-50.48
CSCC[C@H](NC(=O)CN1N=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020162065	1	41	-1.0	-54.22	373.90	3.79	-50.43
CSCC[C@H](NC(=O)CCCCCNC(C)=O)C1=N[N-]N=N1	REAL300020162066	0	45	-1.0	-50.78	387.15	2.47	-48.31
CSCC[C@H](NC(=O)CCCCCNC(C)=O)C1=NN=N[N-]1	REAL300020162066	1	45	-1.0	-50.82	387.21	2.48	-48.34
CSCC[C@H](NC(=O)CSC1=CC=CC=[N+]1[O-])C1=N[N-]N=N1	REAL300020162067	0	37	-1.0	-70.42	346.64	3.73	-66.69
CSCC[C@H](NC(=O)CSC1=CC=CC=[N+]1[O-])C1=NN=N[N-]1	REAL300020162067	1	37	-1.0	-70.44	346.70	3.75	-66.69
COCCN1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1=O	REAL300020162068	0	44	-1.0	-46.41	379.89	1.73	-44.68
COCCN1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1=O	REAL300020162068	1	44	-1.0	-46.46	379.95	1.74	-44.72
CSCC[C@H](NC(=O)C1CC(=O)N(C2CC2)C1)C1=N[N-]N=N1	REAL300020162069	0	41	-1.0	-49.07	351.32	3.27	-45.80
CSCC[C@H](NC(=O)C1CC(=O)N(C2CC2)C1)C1=NN=N[N-]1	REAL300020162069	1	41	-1.0	-49.06	351.38	3.28	-45.78
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O)C1=N[N-]N=N1	REAL300020162070	0	41	-1.0	-61.29	384.10	0.94	-60.35
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O)C1=NN=N[N-]1	REAL300020162070	1	41	-1.0	-61.33	384.15	0.96	-60.37
CSCC[C@H](NC(=O)CN1N=NC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300020162071	0	41	-1.0	-50.58	390.57	4.29	-46.29
CSCC[C@H](NC(=O)CN1N=NC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300020162071	1	41	-1.0	-50.62	390.63	4.31	-46.31
CSCC[C@H](NC(=O)COC1CC(C)CCC1C(C)C)C1=N[N-]N=N1	REAL300020162072	0	55	-1.0	-49.24	432.24	7.22	-42.02
CSCC[C@H](NC(=O)COC1CC(C)CCC1C(C)C)C1=NN=N[N-]1	REAL300020162072	1	55	-1.0	-49.28	432.30	7.24	-42.04
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1	REAL300020162073	0	38	-1.0	-44.89	349.76	3.04	-41.85
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1	REAL300020162073	1	38	-1.0	-44.91	349.70	3.03	-41.88
CSCC[C@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)C1=N[N-]N=N1	REAL300020162074	0	49	-1.0	-52.11	396.76	4.38	-47.73
CSCC[C@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)C1=NN=N[N-]1	REAL300020162074	1	49	-1.0	-52.14	396.81	4.39	-47.75
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020162075	0	46	-1.0	-47.86	395.04	8.27	-39.59
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020162075	1	46	-1.0	-47.86	394.98	8.25	-39.61
CSCC[C@H](NC(=O)CCC1=C(C)N(CCC#N)N=C1C)C1=N[N-]N=N1	REAL300020162076	0	49	-1.0	-51.24	427.09	5.66	-45.58
CSCC[C@H](NC(=O)CCC1=C(C)N(CCC#N)N=C1C)C1=NN=N[N-]1	REAL300020162076	1	49	-1.0	-51.27	427.15	5.68	-45.59
CSCC[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300020162077	0	52	-1.0	-41.59	416.80	3.18	-38.41
CSCC[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300020162077	1	52	-1.0	-41.55	416.87	3.19	-38.36
CSCC[C@H](NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020162078	0	55	-1.0	-42.10	434.68	3.49	-38.61
CSCC[C@H](NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020162078	1	55	-1.0	-42.10	434.73	3.51	-38.59
CSCC[C@H](NC(=O)CN1C=CC=C(C(F)(F)F)C1=O)C1=N[N-]N=N1	REAL300020162079	0	39	-1.0	-66.42	364.12	4.38	-62.04
CSCC[C@H](NC(=O)CN1C=CC=C(C(F)(F)F)C1=O)C1=NN=N[N-]1	REAL300020162079	1	39	-1.0	-66.43	364.18	4.40	-62.03
CSCC[C@H](NC(=O)C1=C2N=CC=CN2N=C1)C1=NN=N[N-]1	REAL300020162080	0	35	-1.0	-58.69	321.88	3.01	-55.68
CSCC[C@H](NC(=O)C1=C2N=CC=CN2N=C1)C1=N[N-]N=N1	REAL300020162080	1	35	-1.0	-58.66	321.83	3.00	-55.66
CSCC[C@H](NC(=O)CC1=C(C)OC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL300020162081	0	42	-1.0	-56.52	391.03	2.89	-53.63
CSCC[C@H](NC(=O)CC1=C(C)OC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL300020162081	1	42	-1.0	-56.54	390.97	2.88	-53.66
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020162082	0	37	-1.0	-41.82	353.92	5.41	-36.41
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020162082	1	37	-1.0	-41.80	353.98	5.42	-36.38
CSCC[C@H](NC(=O)C(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020162083	0	46	-1.0	-43.15	386.09	1.80	-41.35
CSCC[C@H](NC(=O)C(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020162083	1	46	-1.0	-43.21	386.15	1.81	-41.40
CSCC[C@H](NC(=O)C(=O)NC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020162084	0	37	-1.0	-40.35	351.44	2.85	-37.50
CSCC[C@H](NC(=O)C(=O)NC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020162084	1	37	-1.0	-40.33	351.50	2.87	-37.46
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2F)C1)C1=N[N-]N=N1	REAL300020162085	0	44	-1.0	-54.87	397.44	5.47	-49.40
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2F)C1)C1=NN=N[N-]1	REAL300020162085	1	44	-1.0	-54.89	397.49	5.48	-49.41
CSCC[C@H](NC(=O)C1=C(C)SC(C2=CC=CO2)=N1)C1=NN=N[N-]1	REAL300020162086	0	39	-1.0	-49.54	365.47	3.76	-45.78
CSCC[C@H](NC(=O)C1=C(C)SC(C2=CC=CO2)=N1)C1=N[N-]N=N1	REAL300020162086	1	39	-1.0	-49.55	365.41	3.74	-45.81
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL300020162087	0	36	-1.0	-44.75	348.26	4.29	-40.46
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL300020162087	1	36	-1.0	-44.78	348.20	4.28	-40.50
CSCC[C@H](NC(=O)CN1N=C2CCCCCN2C1=O)C1=N[N-]N=N1	REAL300020162088	0	46	-1.0	-62.49	389.65	4.84	-57.65
CSCC[C@H](NC(=O)CN1N=C2CCCCCN2C1=O)C1=NN=N[N-]1	REAL300020162088	1	46	-1.0	-62.49	389.70	4.85	-57.64
CSCC[C@H](NC(=O)C1CC(=O)N(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162089	0	44	-1.0	-58.65	373.85	4.81	-53.84
CSCC[C@H](NC(=O)C1CC(=O)N(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162089	1	44	-1.0	-58.69	373.91	4.83	-53.86
CSCC[C@H](NC(=O)C1=CC=CC2=NNC=C21)C1=NN=N[N-]1	REAL300020162090	0	36	-1.0	-47.24	322.50	2.76	-44.48
CSCC[C@H](NC(=O)C1=CC=CC2=NNC=C21)C1=N[N-]N=N1	REAL300020162090	1	36	-1.0	-47.23	322.44	2.75	-44.48
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC=C2N1)C1=N[N-]N=N1	REAL300020162091	0	40	-1.0	-45.96	352.65	4.70	-41.26
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC=C2N1)C1=NN=N[N-]1	REAL300020162091	1	40	-1.0	-45.92	352.70	4.71	-41.21
CCOC1=CC=C(C=C(C#N)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162092	0	45	-1.0	-44.70	398.78	5.61	-39.09
CCOC1=CC=C(C=C(C#N)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162092	1	45	-1.0	-44.70	398.84	5.62	-39.08
CCCN1C(C)=CC(C=C(C#N)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020162093	0	51	-1.0	-48.67	435.65	7.66	-41.01
CCCN1C(C)=CC(C=C(C#N)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020162093	1	51	-1.0	-48.66	435.71	7.68	-40.98
COC1=CC=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NC2=C1	REAL300020162094	0	41	-1.0	-46.26	360.69	3.32	-42.94
COC1=CC=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NC2=C1	REAL300020162094	1	41	-1.0	-46.29	360.75	3.33	-42.96
CSCC[C@H](NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL300020162095	0	37	-1.0	-44.42	347.99	4.54	-39.88
CSCC[C@H](NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL300020162095	1	37	-1.0	-44.42	348.05	4.56	-39.86
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1O)C1=N[N-]N=N1	REAL300020162096	0	40	-1.0	-50.10	352.40	4.90	-45.20
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1O)C1=NN=N[N-]1	REAL300020162096	1	40	-1.0	-50.12	352.45	4.92	-45.20
CSCC[C@H](NC(=O)CCC1=NC2=C(C=NN2C)C(=O)N1)C1=N[N-]N=N1	REAL300020162097	0	44	-1.0	-48.77	391.36	2.78	-45.99
CSCC[C@H](NC(=O)CCC1=NC2=C(C=NN2C)C(=O)N1)C1=NN=N[N-]1	REAL300020162097	1	44	-1.0	-48.75	391.42	2.79	-45.96
CSCC[C@H](NC(=O)C1CCCCN1C(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162098	0	50	-1.0	-49.69	403.41	6.64	-43.05
CSCC[C@H](NC(=O)C1CCCCN1C(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162098	1	50	-1.0	-49.69	403.47	6.65	-43.04
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1O)C1=N[N-]N=N1	REAL300020162099	0	34	-1.0	-44.78	327.66	3.24	-41.54
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1O)C1=NN=N[N-]1	REAL300020162099	1	34	-1.0	-44.81	327.72	3.25	-41.56
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1[O-])C1=N[N-]N=N1	REAL300020162099	1	33	-2.0	-106.03	324.10	4.25	-101.78
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1[O-])C1=NN=N[N-]1	REAL300020162099	1	33	-2.0	-106.00	324.15	4.26	-101.74
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1O)C1=N[N-]N=N1	REAL300020162100	0	34	-1.0	-45.01	323.10	3.13	-41.88
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1O)C1=NN=N[N-]1	REAL300020162100	1	34	-1.0	-44.97	323.15	3.15	-41.82
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1[O-])C1=N[N-]N=N1	REAL300020162100	1	33	-2.0	-106.08	319.53	4.13	-101.95
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1[O-])C1=NN=N[N-]1	REAL300020162100	1	33	-2.0	-106.08	319.59	4.15	-101.93
CSCC[C@H](NC(=O)CCNC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162101	0	41	-1.0	-46.72	357.18	3.68	-43.04
CSCC[C@H](NC(=O)CCNC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162101	1	41	-1.0	-46.72	357.23	3.70	-43.02
CSCC[C@H](NC(=O)CCNC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020162102	0	44	-1.0	-46.82	374.99	4.47	-42.35
CSCC[C@H](NC(=O)CCNC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020162102	1	44	-1.0	-46.90	375.05	4.48	-42.42
CSCC[C@H](NC(=O)C1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL300020162103	0	36	-1.0	-50.32	323.59	2.81	-47.51
CSCC[C@H](NC(=O)C1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL300020162103	1	36	-1.0	-50.33	323.65	2.82	-47.51
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1Br)C1=N[N-]N=N1	REAL300020162104	0	33	-1.0	-44.18	330.53	5.22	-38.96
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1Br)C1=NN=N[N-]1	REAL300020162104	1	33	-1.0	-44.19	330.58	5.24	-38.95
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CO2)=N1)C1=NN=N[N-]1	REAL300020162105	0	36	-1.0	-49.62	347.39	2.94	-46.68
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CO2)=N1)C1=N[N-]N=N1	REAL300020162105	1	36	-1.0	-49.66	347.34	2.92	-46.74
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1O)C1=N[N-]N=N1	REAL300020162106	0	37	-1.0	-48.08	326.44	3.32	-44.76
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1O)C1=NN=N[N-]1	REAL300020162106	1	37	-1.0	-48.07	326.50	3.34	-44.73
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1O	REAL300020162107	0	38	-1.0	-52.18	335.57	2.37	-49.81
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1O	REAL300020162107	1	38	-1.0	-52.19	335.63	2.39	-49.80
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(O)=C1	REAL300020162108	0	38	-1.0	-47.79	335.75	1.93	-45.86
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(O)=C1	REAL300020162108	1	38	-1.0	-47.85	335.81	1.94	-45.91
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1O)C1=N[N-]N=N1	REAL300020162109	0	34	-1.0	-44.80	323.09	3.13	-41.67
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1O)C1=NN=N[N-]1	REAL300020162109	1	34	-1.0	-44.86	323.15	3.15	-41.71
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1[O-])C1=N[N-]N=N1	REAL300020162109	1	33	-2.0	-107.76	319.53	4.14	-103.62
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1[O-])C1=NN=N[N-]1	REAL300020162109	1	33	-2.0	-107.76	319.58	4.16	-103.60
CSCC[C@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300020162110	0	33	-2.0	-89.80	320.95	2.58	-87.22
CSCC[C@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300020162110	1	33	-2.0	-89.73	321.01	2.60	-87.13
CSCC[C@H](NC(=O)C1=CC(C(C)C)=CC(C(C)C)=C1O)C1=N[N-]N=N1	REAL300020162111	0	52	-1.0	-47.07	425.08	6.50	-40.57
CSCC[C@H](NC(=O)C1=CC(C(C)C)=CC(C(C)C)=C1O)C1=NN=N[N-]1	REAL300020162111	1	52	-1.0	-47.09	425.13	6.51	-40.58
CSCC[C@H](NC(=O)CC1=CN2C=CC=CC2=N1)C1=N[N-]N=N1	REAL300020162112	0	39	-1.0	-56.06	348.26	5.37	-50.69
CSCC[C@H](NC(=O)CC1=CN2C=CC=CC2=N1)C1=NN=N[N-]1	REAL300020162112	1	39	-1.0	-56.12	348.32	5.38	-50.74
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NN1)C1=N[N-]N=N1	REAL300020162113	0	37	-1.0	-43.85	331.20	2.64	-41.21
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NN1)C1=NN=N[N-]1	REAL300020162113	1	37	-1.0	-43.87	331.25	2.66	-41.21
CSCC[C@H](NC(=O)C1=C(Cl)C2=C(C)C=C(C)C=C2S1)C1=N[N-]N=N1	REAL300020162114	0	42	-1.0	-47.02	385.26	7.10	-39.92
CSCC[C@H](NC(=O)C1=C(Cl)C2=C(C)C=C(C)C=C2S1)C1=NN=N[N-]1	REAL300020162114	1	42	-1.0	-46.99	385.32	7.12	-39.87
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1O)C1=N[N-]N=N1	REAL300020162115	0	37	-1.0	-47.69	327.77	3.29	-44.40
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1O)C1=NN=N[N-]1	REAL300020162115	1	37	-1.0	-47.68	327.83	3.30	-44.38
CSCC[C@H](NC(=O)C1=C(O)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020162116	0	40	-1.0	-48.86	351.36	4.96	-43.90
CSCC[C@H](NC(=O)C1=C(O)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020162116	1	40	-1.0	-48.91	351.30	4.94	-43.97
CSCC[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020162116	1	39	-2.0	-117.25	347.80	5.97	-111.28
COC1=CC=C(O)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162117	0	38	-1.0	-47.77	335.83	1.90	-45.87
COC1=CC=C(O)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162117	1	38	-1.0	-47.76	335.89	1.91	-45.85
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=N[N-]N=N1	REAL300020162118	0	35	-2.0	-88.93	330.95	3.80	-85.13
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=NN=N[N-]1	REAL300020162118	1	35	-2.0	-88.94	331.01	3.82	-85.12
CSCC[C@H](NC(=O)C1=CC=C(C)C(O)=C1)C1=N[N-]N=N1	REAL300020162119	0	37	-1.0	-48.98	328.59	1.98	-47.00
CSCC[C@H](NC(=O)C1=CC=C(C)C(O)=C1)C1=NN=N[N-]1	REAL300020162119	1	37	-1.0	-48.99	328.65	1.99	-47.00
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020162120	0	53	-1.0	-48.94	423.91	8.20	-40.74
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020162120	1	53	-1.0	-48.91	423.97	8.21	-40.70
CSCC[C@H](NC(=O)C1=CC=CC=C1C(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020162121	0	45	-1.0	-53.94	402.14	7.53	-46.41
CSCC[C@H](NC(=O)C1=CC=CC=C1C(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020162121	1	45	-1.0	-53.99	402.19	7.55	-46.44
CSCC[C@H](NC(=O)C(C)OC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020162122	0	40	-1.0	-53.69	354.76	5.29	-48.40
CSCC[C@H](NC(=O)C(C)OC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020162122	1	40	-1.0	-53.69	354.81	5.31	-48.38
CSCC[C@H](NC(=O)COC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020162123	0	37	-1.0	-46.58	353.67	5.22	-41.36
CSCC[C@H](NC(=O)COC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020162123	1	37	-1.0	-46.55	353.72	5.24	-41.31
CSCC[C@H](NC(=O)CCOCC(F)(F)F)C1=N[N-]N=N1	REAL300020162124	0	36	-1.0	-43.80	337.25	2.28	-41.52
CSCC[C@H](NC(=O)CCOCC(F)(F)F)C1=NN=N[N-]1	REAL300020162124	1	36	-1.0	-43.84	337.30	2.29	-41.55
CSCC[C@H](NC(=O)C1CCN(C)C(=O)C1)C1=N[N-]N=N1	REAL300020162125	0	40	-1.0	-49.73	340.50	2.32	-47.41
CSCC[C@H](NC(=O)C1CCN(C)C(=O)C1)C1=NN=N[N-]1	REAL300020162125	1	40	-1.0	-49.72	340.56	2.34	-47.38
CNC(=O)C1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162126	0	44	-1.0	-51.81	388.47	3.56	-48.25
CNC(=O)C1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162126	1	44	-1.0	-51.80	388.53	3.58	-48.22
CSCC[C@H](NC(=O)C(C)N1C(=O)CCC1=O)C1=N[N-]N=N1	REAL300020162127	0	39	-1.0	-55.79	340.95	3.15	-52.64
CSCC[C@H](NC(=O)C(C)N1C(=O)CCC1=O)C1=NN=N[N-]1	REAL300020162127	1	39	-1.0	-55.77	341.01	3.17	-52.60
CSCC[C@H](NC(=O)C1=C(C(C)C)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020162128	0	49	-1.0	-46.72	405.01	6.79	-39.93
CSCC[C@H](NC(=O)C1=C(C(C)C)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020162128	1	49	-1.0	-46.68	405.07	6.80	-39.88
CSCC[C@H](NC(=O)C1=CC=C(N2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300020162129	0	40	-1.0	-48.06	353.33	6.49	-41.57
CSCC[C@H](NC(=O)C1=CC=C(N2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300020162129	1	40	-1.0	-48.08	353.39	6.50	-41.58
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CC2)N=C1SC)C1=N[N-]N=N1	REAL300020162130	0	45	-1.0	-44.91	405.31	5.26	-39.65
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CC2)N=C1SC)C1=NN=N[N-]1	REAL300020162130	1	45	-1.0	-44.92	405.37	5.27	-39.65
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)C)N=C1SC)C1=N[N-]N=N1	REAL300020162131	0	47	-1.0	-44.57	416.27	4.79	-39.78
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)C)N=C1SC)C1=NN=N[N-]1	REAL300020162131	1	47	-1.0	-44.50	416.33	4.80	-39.70
CSCC[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C1=N[N-]N=N1	REAL300020162132	0	43	-1.0	-49.66	371.47	-1.90	-51.56
CSCC[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C1=NN=N[N-]1	REAL300020162132	1	43	-1.0	-49.62	371.53	-1.89	-51.51
C=CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162133	0	41	-1.0	-46.21	361.69	4.92	-41.29
C=CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162133	1	41	-1.0	-46.20	361.75	4.93	-41.27
C=CCOC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162134	0	41	-1.0	-52.10	359.62	6.13	-45.97
C=CCOC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162134	1	41	-1.0	-52.09	359.67	6.15	-45.94
CSCC[C@H](NC(=O)C1=CC(=O)N(C)C=C1)C1=N[N-]N=N1	REAL300020162135	0	36	-1.0	-55.62	322.70	2.88	-52.74
CSCC[C@H](NC(=O)C1=CC(=O)N(C)C=C1)C1=NN=N[N-]1	REAL300020162135	1	36	-1.0	-55.61	322.76	2.89	-52.72
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N(C)C(=O)N(C)C2=N1)C1=N[N-]N=N1	REAL300020162136	0	44	-1.0	-43.37	388.06	3.80	-39.57
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N(C)C(=O)N(C)C2=N1)C1=NN=N[N-]1	REAL300020162136	1	44	-1.0	-43.38	388.12	3.81	-39.57
CSCC[C@H](NC(=O)C1=C2NC(C)=C(C)C2=CC=C1)C1=NN=N[N-]1	REAL300020162137	0	43	-1.0	-48.40	368.94	5.51	-42.89
CSCC[C@H](NC(=O)C1=C2NC(C)=C(C)C2=CC=C1)C1=N[N-]N=N1	REAL300020162137	1	43	-1.0	-48.37	368.88	5.50	-42.87
CSCC[C@H](NC(=O)CCNC(=O)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020162138	0	49	-1.0	-56.40	424.70	5.47	-50.93
CSCC[C@H](NC(=O)CCNC(=O)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020162138	1	49	-1.0	-56.41	424.76	5.48	-50.93
CSCC[C@H](NC(=O)C1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020162139	0	37	-1.0	-58.14	332.03	0.88	-57.26
CSCC[C@H](NC(=O)C1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020162139	1	37	-1.0	-58.16	332.09	0.89	-57.27
CSCC[C@H](NC(=O)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020162140	0	47	-1.0	-48.54	404.03	7.10	-41.44
CSCC[C@H](NC(=O)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020162140	1	47	-1.0	-48.56	404.08	7.12	-41.44
CSCC[C@H](NC(=O)C1=CC=CC(NC2=NC=CC=N2)=C1)C1=NN=N[N-]1	REAL300020162141	0	43	-1.0	-53.75	379.43	6.66	-47.09
CSCC[C@H](NC(=O)C1=CC=CC(NC2=NC=CC=N2)=C1)C1=N[N-]N=N1	REAL300020162141	1	43	-1.0	-53.73	379.37	6.64	-47.09
CSCC[C@H](NC(=O)C1=CC=CC(OCC(N)=O)=C1)C1=N[N-]N=N1	REAL300020162142	0	41	-1.0	-61.40	365.60	1.50	-59.90
CSCC[C@H](NC(=O)C1=CC=CC(OCC(N)=O)=C1)C1=NN=N[N-]1	REAL300020162142	1	41	-1.0	-61.40	365.65	1.51	-59.89
COC1=CC=C(N2CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CC2=O)C=C1	REAL300020162143	0	48	-1.0	-46.33	406.31	4.31	-42.02
COC1=CC=C(N2CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CC2=O)C=C1	REAL300020162143	1	48	-1.0	-46.38	406.37	4.32	-42.06
CSCC[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL300020162144	0	41	-1.0	-51.31	356.29	-1.66	-52.97
CSCC[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL300020162144	1	41	-1.0	-51.29	356.35	-1.64	-52.93
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL300020162145	0	48	-1.0	-50.99	420.07	5.27	-45.72
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL300020162145	1	48	-1.0	-50.95	420.12	5.29	-45.66
CSCC[C@H](NC(=O)CCC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL300020162146	0	43	-1.0	-48.55	382.81	5.15	-43.40
CSCC[C@H](NC(=O)CCC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL300020162146	1	43	-1.0	-48.54	382.87	5.16	-43.38
CSCC[C@H](NC(=O)C1=C(C2CC2)N(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300020162147	0	46	-1.0	-48.09	399.19	5.50	-42.59
CSCC[C@H](NC(=O)C1=C(C2CC2)N(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300020162147	1	46	-1.0	-48.07	399.24	5.51	-42.56
CSCC[C@H](NC(=O)C1CC(=O)N(CC2=CC=CO2)C1)C1=N[N-]N=N1	REAL300020162148	0	44	-1.0	-50.09	387.23	3.79	-46.30
CSCC[C@H](NC(=O)C1CC(=O)N(CC2=CC=CO2)C1)C1=NN=N[N-]1	REAL300020162148	1	44	-1.0	-50.12	387.29	3.80	-46.32
CSCC[C@H](NC(=O)C1=CC(C2=CC=CO2)=NN1)C1=N[N-]N=N1	REAL300020162149	0	37	-1.0	-46.17	342.09	2.25	-43.92
CSCC[C@H](NC(=O)C1=CC(C2=CC=CO2)=NN1)C1=NN=N[N-]1	REAL300020162149	1	37	-1.0	-46.15	342.14	2.26	-43.89
CSCC[C@H](NC(=O)C1=C2C=C([N+](=O)[O-])C=CC2=NN1)C1=N[N-]N=N1	REAL300020162150	0	38	-1.0	-47.77	352.49	3.46	-44.31
CSCC[C@H](NC(=O)C1=C2C=C([N+](=O)[O-])C=CC2=NN1)C1=NN=N[N-]1	REAL300020162150	1	38	-1.0	-47.76	352.54	3.47	-44.29
CSCC[C@H](NC(=O)CN1C=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020162151	0	35	-1.0	-51.19	332.61	2.94	-48.25
CSCC[C@H](NC(=O)CN1C=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL300020162151	1	35	-1.0	-51.20	332.55	2.92	-48.28
COC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162152	0	41	-1.0	-51.89	364.62	2.32	-49.57
COC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162152	1	41	-1.0	-51.90	364.68	2.33	-49.57
CSCC[C@H](NC(=O)C1=CC=C(N2C=CN=C2)N=C1)C1=N[N-]N=N1	REAL300020162153	0	39	-1.0	-46.35	350.59	5.76	-40.59
CSCC[C@H](NC(=O)C1=CC=C(N2C=CN=C2)N=C1)C1=NN=N[N-]1	REAL300020162153	1	39	-1.0	-46.37	350.65	5.78	-40.59
CCCS(=O)(=O)N1CCCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162154	0	47	-1.0	-64.19	402.26	2.91	-61.28
CCCS(=O)(=O)N1CCCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162154	1	47	-1.0	-64.19	402.31	2.93	-61.26
CSCC[C@H](NC(=O)CN1N=CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020162155	0	41	-1.0	-63.63	368.98	3.82	-59.81
CSCC[C@H](NC(=O)CN1N=CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020162155	1	41	-1.0	-63.66	369.04	3.83	-59.83
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CC1)C1=N[N-]N=N1	REAL300020162156	0	40	-1.0	-44.59	365.36	6.29	-38.30
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CC1)C1=NN=N[N-]1	REAL300020162156	1	40	-1.0	-44.58	365.42	6.31	-38.27
CSCC[C@H](NC(=O)C1=CC=C(CSC2=NC=CN2C)O1)C1=N[N-]N=N1	REAL300020162157	0	44	-1.0	-48.10	408.06	5.79	-42.31
CSCC[C@H](NC(=O)C1=CC=C(CSC2=NC=CN2C)O1)C1=NN=N[N-]1	REAL300020162157	1	44	-1.0	-48.06	408.12	5.80	-42.26
CSCC[C@H](NC(=O)C1=C(C)C2=C(C)C=CN=C2S1)C1=N[N-]N=N1	REAL300020162158	0	41	-1.0	-47.74	360.09	4.68	-43.06
CSCC[C@H](NC(=O)C1=C(C)C2=C(C)C=CN=C2S1)C1=NN=N[N-]1	REAL300020162158	1	41	-1.0	-47.71	360.14	4.70	-43.01
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(=O)C(C)N1)C1=N[N-]N=N1	REAL300020162159	0	46	-1.0	-43.93	403.75	3.84	-40.09
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(=O)C(C)N1)C1=NN=N[N-]1	REAL300020162159	1	46	-1.0	-43.95	403.81	3.85	-40.10
CCN1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1=O	REAL300020162160	0	40	-1.0	-48.50	346.51	2.65	-45.85
CCN1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1=O	REAL300020162160	1	40	-1.0	-48.47	346.57	2.67	-45.80
CSCC[C@H](NC(=O)C1=CC=C2NC3=C(CCCCC3)C2=C1)C1=N[N-]N=N1	REAL300020162161	0	50	-1.0	-51.18	406.38	7.01	-44.17
CSCC[C@H](NC(=O)C1=CC=C2NC3=C(CCCCC3)C2=C1)C1=NN=N[N-]1	REAL300020162161	1	50	-1.0	-51.18	406.44	7.02	-44.16
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(C)C=C2)C2=C1CCC2)C1=N[N-]N=N1	REAL300020162162	0	50	-1.0	-52.84	427.43	7.74	-45.10
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(C)C=C2)C2=C1CCC2)C1=NN=N[N-]1	REAL300020162162	1	50	-1.0	-52.83	427.48	7.76	-45.07
CSCC[C@H](NC(=O)C1CCN(C(=O)C2=CC=CN=C2)CC1)C1=NN=N[N-]1	REAL300020162163	0	49	-1.0	-54.55	408.76	4.05	-50.50
CSCC[C@H](NC(=O)C1CCN(C(=O)C2=CC=CN=C2)CC1)C1=N[N-]N=N1	REAL300020162163	1	49	-1.0	-54.54	408.71	4.04	-50.50
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Cl)N1C)C1=N[N-]N=N1	REAL300020162164	0	34	-1.0	-40.91	335.43	4.40	-36.51
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Cl)N1C)C1=NN=N[N-]1	REAL300020162164	1	34	-1.0	-40.86	335.49	4.42	-36.44
CSCC[C@H](NC(=O)C1=CC2=CC=C(C(C)(C)C)C=C2N1)C1=N[N-]N=N1	REAL300020162165	0	49	-1.0	-45.27	407.26	6.34	-38.93
CSCC[C@H](NC(=O)C1=CC2=CC=C(C(C)(C)C)C=C2N1)C1=NN=N[N-]1	REAL300020162165	1	49	-1.0	-45.27	407.31	6.36	-38.91
CSCC[C@H](NC(=O)C1=CC=C(N2C=NN=N2)C(C)=C1)C1=NN=N[N-]1	REAL300020162166	0	41	-1.0	-51.09	361.35	5.02	-46.07
CSCC[C@H](NC(=O)C1=CC=C(N2C=NN=N2)C(C)=C1)C1=N[N-]N=N1	REAL300020162166	1	41	-1.0	-51.09	361.30	5.01	-46.08
CSCC[C@H](NC(=O)C1=CC=C(Cl)C2=CC=CN=C12)C1=NN=N[N-]1	REAL300020162167	0	38	-1.0	-52.35	351.06	5.34	-47.01
CSCC[C@H](NC(=O)C1=CC=C(Cl)C2=CC=CN=C12)C1=N[N-]N=N1	REAL300020162167	1	38	-1.0	-52.36	351.00	5.32	-47.04
CSCC[C@H](NC(=O)C1(C2=CC=C(C(C)(C)C)C=C2)CC1)C1=N[N-]N=N1	REAL300020162168	0	52	-1.0	-45.84	424.83	8.11	-37.73
CSCC[C@H](NC(=O)C1(C2=CC=C(C(C)(C)C)C=C2)CC1)C1=NN=N[N-]1	REAL300020162168	1	52	-1.0	-45.82	424.89	8.12	-37.70
CSCC[C@H](NC(=O)C1CC(=O)N(CC(C)C)C1)C1=N[N-]N=N1	REAL300020162169	0	46	-1.0	-44.65	383.21	3.96	-40.69
CSCC[C@H](NC(=O)C1CC(=O)N(CC(C)C)C1)C1=NN=N[N-]1	REAL300020162169	1	46	-1.0	-44.64	383.27	3.98	-40.66
CSCC[C@H](NC(=O)C1=NNC2=C1CCCC2)C1=N[N-]N=N1	REAL300020162170	0	40	-1.0	-49.64	341.69	2.93	-46.71
CSCC[C@H](NC(=O)C1=NNC2=C1CCCC2)C1=NN=N[N-]1	REAL300020162170	1	40	-1.0	-49.69	341.74	2.95	-46.74
CSCC[C@H](NC(=O)CC1C2=CC=CC=C2OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162171	0	48	-1.0	-54.19	402.62	8.80	-45.39
CSCC[C@H](NC(=O)CC1C2=CC=CC=C2OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162171	1	48	-1.0	-54.21	402.68	8.81	-45.40
CSCC[C@H](NC(=O)COC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020162172	0	39	-1.0	-54.65	359.29	5.32	-49.33
CSCC[C@H](NC(=O)COC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020162172	1	39	-1.0	-54.67	359.34	5.34	-49.33
CSCC[C@H](NC(=O)C1=C(C)N=C2C(=C1)C(C)=NN2C)C1=N[N-]N=N1	REAL300020162173	0	44	-1.0	-45.77	380.23	4.48	-41.29
CSCC[C@H](NC(=O)C1=C(C)N=C2C(=C1)C(C)=NN2C)C1=NN=N[N-]1	REAL300020162173	1	44	-1.0	-45.75	380.29	4.50	-41.25
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300020162174	0	43	-1.0	-46.06	379.88	5.70	-40.36
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300020162174	1	43	-1.0	-46.03	379.93	5.72	-40.31
CSCC[C@H](NC(=O)C1=COC(Br)=C1)C1=N[N-]N=N1	REAL300020162175	0	30	-1.0	-45.72	302.61	2.78	-42.94
CSCC[C@H](NC(=O)C1=COC(Br)=C1)C1=NN=N[N-]1	REAL300020162175	1	30	-1.0	-45.73	302.67	2.80	-42.93
CSCC[C@H](NC(=O)COC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020162176	0	37	-1.0	-51.54	343.71	4.78	-46.76
CSCC[C@H](NC(=O)COC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020162176	1	37	-1.0	-51.55	343.77	4.80	-46.75
CSCC[C@H](NC(=O)C1=CC=C(OCC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL300020162177	0	46	-1.0	-48.63	403.59	5.62	-43.01
CSCC[C@H](NC(=O)C1=CC=C(OCC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL300020162177	1	46	-1.0	-48.61	403.54	5.61	-43.00
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020162178	0	46	-1.0	-54.33	401.50	6.83	-47.50
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020162178	1	46	-1.0	-54.35	401.56	6.85	-47.50
CSCC[C@H](NC(=O)C1=CNC(=S)N1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020162179	0	41	-1.0	-53.53	387.31	6.65	-46.88
CSCC[C@H](NC(=O)C1=CNC(=S)N1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020162179	1	41	-1.0	-53.51	387.37	6.67	-46.84
CSCC[C@H](NC(=O)CC(NC(N)=O)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020162180	0	48	-1.0	-44.78	401.27	1.58	-43.20
CSCC[C@H](NC(=O)CC(NC(N)=O)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020162180	1	48	-1.0	-44.75	401.33	1.59	-43.16
CSCC[C@H](NC(=O)CCOC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300020162181	0	46	-1.0	-45.93	393.51	5.80	-40.13
CSCC[C@H](NC(=O)CCOC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300020162181	1	46	-1.0	-45.96	393.56	5.81	-40.15
CSCC[C@H](NC(=O)CCS(C)(=O)=O)C1=N[N-]N=N1	REAL300020162182	0	35	-1.0	-51.00	325.78	-0.67	-51.67
CSCC[C@H](NC(=O)CCS(C)(=O)=O)C1=NN=N[N-]1	REAL300020162182	1	35	-1.0	-51.00	325.84	-0.65	-51.65
CSCC[C@H](NC(=O)C1CCN(C2=CN=CC=N2)CC1)C1=NN=N[N-]1	REAL300020162183	0	46	-1.0	-48.97	384.40	2.77	-46.20
CSCC[C@H](NC(=O)C1CCN(C2=CN=CC=N2)CC1)C1=N[N-]N=N1	REAL300020162183	1	46	-1.0	-48.94	384.34	2.76	-46.18
CSCC[C@H](NC(=O)C=CC1=CC=NN1C)C1=N[N-]N=N1	REAL300020162184	0	37	-1.0	-46.70	334.72	2.92	-43.78
CSCC[C@H](NC(=O)C=CC1=CC=NN1C)C1=NN=N[N-]1	REAL300020162184	1	37	-1.0	-46.73	334.77	2.93	-43.80
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL300020162185	0	49	-1.0	-47.97	416.60	7.03	-40.94
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300020162185	1	49	-1.0	-48.00	416.66	7.05	-40.95
CSCC[C@H](NC(=O)CC1=CC=C(N2C=NN=N2)C=C1)C1=NN=N[N-]1	REAL300020162186	0	41	-1.0	-54.39	370.50	4.96	-49.43
CSCC[C@H](NC(=O)CC1=CC=C(N2C=NN=N2)C=C1)C1=N[N-]N=N1	REAL300020162186	1	41	-1.0	-54.39	370.44	4.94	-49.45
CSCC[C@H](NC(=O)CCC(=O)CCC(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020162187	0	46	-1.0	-47.66	419.68	5.98	-41.68
CSCC[C@H](NC(=O)CCC(=O)CCC(=O)C1=CC=CS1)C1=NN=N[N-]1	REAL300020162187	1	46	-1.0	-47.66	419.74	6.00	-41.66
CSCC[C@H](NC(=O)C1CCC(C(F)(F)F)NC1=O)C1=N[N-]N=N1	REAL300020162188	0	40	-1.0	-44.37	355.81	1.80	-42.57
CSCC[C@H](NC(=O)C1CCC(C(F)(F)F)NC1=O)C1=NN=N[N-]1	REAL300020162188	1	40	-1.0	-44.36	355.87	1.81	-42.55
CCOC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1C	REAL300020162189	0	44	-1.0	-44.20	387.83	4.44	-39.76
CCOC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1C	REAL300020162189	1	44	-1.0	-44.18	387.89	4.46	-39.72
CSCC[C@H](NC(=O)C1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL300020162190	0	38	-1.0	-47.10	333.42	3.93	-43.17
CSCC[C@H](NC(=O)C1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL300020162190	1	38	-1.0	-47.09	333.48	3.95	-43.14
CSCC[C@H](NC(=O)CC(NC(N)=O)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020162191	0	48	-1.0	-46.70	405.60	1.84	-44.86
CSCC[C@H](NC(=O)CC(NC(N)=O)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020162191	1	48	-1.0	-46.75	405.66	1.86	-44.89
CSCC[C@H](NC(=O)C(C)OC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020162192	0	40	-1.0	-51.39	364.56	5.76	-45.63
CSCC[C@H](NC(=O)C(C)OC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020162192	1	40	-1.0	-51.35	364.62	5.77	-45.58
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=N2)C(C)=C1)C1=NN=N[N-]1	REAL300020162193	0	46	-1.0	-52.81	395.31	6.97	-45.84
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=N2)C(C)=C1)C1=N[N-]N=N1	REAL300020162193	1	46	-1.0	-52.82	395.25	6.95	-45.87
CSCC[C@H](NC(=O)C1=C(C)N(C2=NC=CS2)C(C)=C1)C1=NN=N[N-]1	REAL300020162194	0	43	-1.0	-52.22	386.80	6.00	-46.22
CSCC[C@H](NC(=O)C1=C(C)N(C2=NC=CS2)C(C)=C1)C1=N[N-]N=N1	REAL300020162194	1	43	-1.0	-52.23	386.75	5.99	-46.24
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CN=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020162195	0	46	-1.0	-49.49	399.06	6.26	-43.23
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CN=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020162195	1	46	-1.0	-49.49	399.12	6.27	-43.22
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=CC=N2)C(C)=C1)C1=N[N-]N=N1	REAL300020162196	0	49	-1.0	-55.75	417.36	6.87	-48.88
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=CC=N2)C(C)=C1)C1=NN=N[N-]1	REAL300020162196	1	49	-1.0	-55.74	417.42	6.89	-48.85
CSCC[C@H](NC(=O)CCOC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020162197	0	40	-1.0	-43.93	358.44	4.46	-39.47
CSCC[C@H](NC(=O)CCOC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020162197	1	40	-1.0	-43.91	358.50	4.47	-39.44
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020162198	0	46	-1.0	-48.27	395.48	6.36	-41.91
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020162198	1	46	-1.0	-48.31	395.54	6.37	-41.94
CSCC[C@H](NC(=O)CCOC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020162199	0	40	-1.0	-44.30	358.44	4.46	-39.84
CSCC[C@H](NC(=O)CCOC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020162199	1	40	-1.0	-44.30	358.50	4.47	-39.83
CNC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162200	0	38	-1.0	-45.80	327.24	3.27	-42.53
CNC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162200	1	38	-1.0	-45.84	327.29	3.28	-42.56
CCCCNC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162201	0	47	-1.0	-46.13	391.72	5.62	-40.51
CCCCNC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162201	1	47	-1.0	-46.10	391.78	5.64	-40.46
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)N=C1)C1=N[N-]N=N1	REAL300020162202	0	43	-1.0	-46.54	390.25	6.16	-40.38
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)N=C1)C1=NN=N[N-]1	REAL300020162202	1	43	-1.0	-46.54	390.31	6.17	-40.37
CSCC[C@H](NC(=O)C1=CC=C(CN2CCCCC2=O)C=C1)C1=N[N-]N=N1	REAL300020162203	0	50	-1.0	-53.92	417.94	6.44	-47.48
CSCC[C@H](NC(=O)C1=CC=C(CN2CCCCC2=O)C=C1)C1=NN=N[N-]1	REAL300020162203	1	50	-1.0	-53.91	417.99	6.45	-47.46
CSCC[C@H](NC(=O)C1=CN(C)C(=O)NC1=O)C1=N[N-]N=N1	REAL300020162204	0	36	-1.0	-48.11	325.06	0.44	-47.67
CSCC[C@H](NC(=O)C1=CN(C)C(=O)NC1=O)C1=NN=N[N-]1	REAL300020162204	1	36	-1.0	-48.12	325.12	0.46	-47.66
CCN(CC)C(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020162205	0	54	-1.0	-50.79	423.56	5.15	-45.64
CCN(CC)C(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020162205	1	54	-1.0	-50.81	423.62	5.16	-45.65
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COC1=C2OC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC2=CC=C1	REAL300020162229	1	40	-1.0	-48.33	358.33	3.78	-44.55
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1N1C=NN=N1)C1=NN=N[N-]1	REAL300020162230	0	38	-1.0	-58.78	360.24	5.41	-53.37
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1N1C=NN=N1)C1=N[N-]N=N1	REAL300020162230	1	38	-1.0	-58.74	360.18	5.39	-53.35
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL300020162231	0	40	-1.0	-48.87	365.38	5.32	-43.55
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL300020162231	1	40	-1.0	-48.92	365.32	5.30	-43.62
CSCC[C@H](NC(=O)CCOC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300020162232	0	40	-1.0	-45.17	383.94	5.37	-39.80
CSCC[C@H](NC(=O)CCOC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300020162232	1	40	-1.0	-45.18	383.99	5.38	-39.80
CSCC[C@H](NC(=O)C1=CC(C)=NC2=C1C(=O)NN2C)C1=N[N-]N=N1	REAL300020162233	0	42	-1.0	-59.59	369.01	3.47	-56.12
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CSCC[C@H](NC(=O)CCOC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020162234	0	40	-1.0	-45.11	368.06	4.95	-40.16
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020162234	1	40	-1.0	-45.09	368.11	4.96	-40.13
CSCC[C@H](NC(=O)CCCNC(=O)C1CC1)C1=N[N-]N=N1	REAL300020162235	0	43	-1.0	-48.56	375.26	2.48	-46.08
CSCC[C@H](NC(=O)CCCNC(=O)C1CC1)C1=NN=N[N-]1	REAL300020162235	1	43	-1.0	-48.55	375.32	2.49	-46.06
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CSCC[C@H](NC(=O)C1=CC=C(N2N=C(C)C=C2C)N=C1)C1=NN=N[N-]1	REAL300020162241	0	45	-1.0	-46.72	392.97	6.06	-40.66
CSCC[C@H](NC(=O)C1=CC=C(N2N=C(C)C=C2C)N=C1)C1=N[N-]N=N1	REAL300020162241	1	45	-1.0	-46.72	392.91	6.04	-40.68
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CSCC[C@H](NC(=O)C1=CC=C(N(C)C)N=C1)C1=N[N-]N=N1	REAL300020162243	0	40	-1.0	-47.25	345.94	3.89	-43.36
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)N=C1)C1=NN=N[N-]1	REAL300020162243	1	40	-1.0	-47.24	346.00	3.90	-43.34
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CSCC[C@H](NC(=O)CN(C)C(=O)C1=CC=CS1)C1=N[N-]N=N1	REAL300020162246	0	40	-1.0	-59.47	362.91	3.44	-56.03
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CSCC[C@H](NC(=O)CCNS(=O)(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020162247	0	43	-1.0	-50.18	393.36	-0.67	-50.85
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CSCC[C@H](NC(=O)C1=CC=C(CN2C=CC=N2)O1)C1=N[N-]N=N1	REAL300020162248	1	40	-1.0	-50.05	366.05	3.95	-46.10
CSCC[C@H](NC(=O)C1=CC(C)=C(OC(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300020162249	0	43	-1.0	-47.86	375.89	5.17	-42.69
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CSCC[C@H](NC(=O)C1=CC=C(OC2CCCC2)C=C1)C1=N[N-]N=N1	REAL300020162250	0	47	-1.0	-45.76	392.03	6.31	-39.45
CSCC[C@H](NC(=O)C1=CC=C(OC2CCCC2)C=C1)C1=NN=N[N-]1	REAL300020162250	1	47	-1.0	-45.80	392.08	6.33	-39.47
CSCC[C@H](NC(=O)CNC(=O)NC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020162251	0	45	-1.0	-46.16	392.66	2.49	-43.67
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CSCC[C@H](NC(=O)CC1=CC=C(S(N)(=O)=O)S1)C1=N[N-]N=N1	REAL300020162253	0	38	-1.0	-52.66	368.80	-1.13	-53.79
CSCC[C@H](NC(=O)CC1=CC=C(S(N)(=O)=O)S1)C1=NN=N[N-]1	REAL300020162253	1	38	-1.0	-52.65	368.85	-1.11	-53.76
CSCC[C@H](NC(=O)C1CC(=O)N(C(C)(C)C)C1)C1=N[N-]N=N1	REAL300020162254	0	46	-1.0	-56.94	378.59	3.75	-53.19
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COCCSCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162255	0	37	-1.0	-46.36	340.35	2.17	-44.19
COCCSCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162255	1	37	-1.0	-46.35	340.40	2.19	-44.16
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020162256	0	42	-1.0	-47.39	383.87	5.83	-41.56
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020162256	1	42	-1.0	-47.40	383.81	5.81	-41.59
CSCC[C@H](NC(=O)CN1CCCCC1=O)C1=N[N-]N=N1	REAL300020162257	0	40	-1.0	-56.87	342.64	3.08	-53.79
CSCC[C@H](NC(=O)CN1CCCCC1=O)C1=NN=N[N-]1	REAL300020162257	1	40	-1.0	-56.83	342.70	3.10	-53.73
CSCC[C@H](NC(=O)CN1CCCNC1=O)C1=N[N-]N=N1	REAL300020162258	0	39	-1.0	-59.49	337.69	0.97	-58.52
CSCC[C@H](NC(=O)CN1CCCNC1=O)C1=NN=N[N-]1	REAL300020162258	1	39	-1.0	-59.48	337.74	0.98	-58.50
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2F)CCCC1)C1=N[N-]N=N1	REAL300020162259	0	46	-1.0	-44.05	372.60	7.52	-36.53
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2F)CCCC1)C1=NN=N[N-]1	REAL300020162259	1	46	-1.0	-44.07	372.66	7.53	-36.54
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=N1)C1=N[N-]N=N1	REAL300020162260	0	42	-1.0	-44.62	377.82	4.33	-40.29
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(F)C=C2)N=N1)C1=NN=N[N-]1	REAL300020162260	1	42	-1.0	-44.61	377.88	4.35	-40.26
CSCC[C@H](NC(=O)C1=CNC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020162261	0	39	-1.0	-58.11	346.63	4.21	-53.90
CSCC[C@H](NC(=O)C1=CNC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020162261	1	39	-1.0	-58.12	346.68	4.22	-53.90
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2F)S1)C1=N[N-]N=N1	REAL300020162262	0	40	-1.0	-46.62	377.02	6.93	-39.69
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2F)S1)C1=NN=N[N-]1	REAL300020162262	1	40	-1.0	-46.59	377.07	6.95	-39.64
CSCC[C@H](NC(=O)C1=CC=C(C#N)C(C)=N1)C1=N[N-]N=N1	REAL300020162263	0	36	-1.0	-43.75	334.93	3.22	-40.53
CSCC[C@H](NC(=O)C1=CC=C(C#N)C(C)=N1)C1=NN=N[N-]1	REAL300020162263	1	36	-1.0	-43.72	334.98	3.24	-40.48
CSCC[C@H](NC(=O)C1=CSC(NC(C)=O)=N1)C1=NN=N[N-]1	REAL300020162264	0	36	-1.0	-49.20	341.17	1.18	-48.02
CSCC[C@H](NC(=O)C1=CSC(NC(C)=O)=N1)C1=N[N-]N=N1	REAL300020162264	1	36	-1.0	-49.18	341.11	1.17	-48.01
CSCC[C@H](NC(=O)C1CCCN(C(=O)C2CC2)C1)C1=N[N-]N=N1	REAL300020162265	0	47	-1.0	-51.52	388.61	4.65	-46.87
CSCC[C@H](NC(=O)C1CCCN(C(=O)C2CC2)C1)C1=NN=N[N-]1	REAL300020162265	1	47	-1.0	-51.52	388.66	4.66	-46.86
CSCC[C@H](NC(=O)COC1=CC=CC(NC(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL300020162266	0	48	-1.0	-52.38	418.26	5.13	-47.25
CSCC[C@H](NC(=O)COC1=CC=CC(NC(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL300020162266	1	48	-1.0	-52.38	418.31	5.14	-47.24
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC=C2Cl)=C1)C1=NN=N[N-]1	REAL300020162267	0	39	-1.0	-46.55	372.81	5.65	-40.90
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC=C2Cl)=C1)C1=N[N-]N=N1	REAL300020162267	1	39	-1.0	-46.56	372.75	5.63	-40.93
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C1=N[N-]N=N1	REAL300020162268	0	46	-1.0	-54.35	393.44	4.46	-49.89
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C1=NN=N[N-]1	REAL300020162268	1	46	-1.0	-54.34	393.49	4.47	-49.87
CSCC[C@H](NC(=O)C1=CC2=CC=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL300020162269	0	37	-1.0	-43.60	348.00	4.52	-39.08
CSCC[C@H](NC(=O)C1=CC2=CC=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL300020162269	1	37	-1.0	-43.64	348.05	4.54	-39.10
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020162270	0	37	-1.0	-49.04	333.24	0.91	-48.13
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020162270	1	37	-1.0	-49.03	333.30	0.92	-48.11
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C)C=C2)=NO1)C1=NN=N[N-]1	REAL300020162271	0	42	-1.0	-42.95	377.66	5.76	-37.19
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C)C=C2)=NO1)C1=N[N-]N=N1	REAL300020162271	1	42	-1.0	-42.92	377.60	5.75	-37.17
CSCC[C@H](NC(=O)CN(C)S(=O)(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162272	0	44	-1.0	-54.22	396.84	2.49	-51.73
CSCC[C@H](NC(=O)CN(C)S(=O)(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162272	1	44	-1.0	-54.21	396.90	2.51	-51.70
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020162273	0	50	-1.0	-50.28	422.64	8.64	-41.64
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020162273	1	50	-1.0	-50.26	422.69	8.66	-41.60
CSCC[C@H](NC(=O)CCC1=NC(C(C)C)=NO1)C1=N[N-]N=N1	REAL300020162274	0	43	-1.0	-44.75	377.43	2.23	-42.52
CSCC[C@H](NC(=O)CCC1=NC(C(C)C)=NO1)C1=NN=N[N-]1	REAL300020162274	1	43	-1.0	-44.72	377.49	2.24	-42.48
CSCC[C@H](NC(=O)CC1=CSC(CC2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL300020162275	0	44	-1.0	-55.86	403.43	4.61	-51.25
CSCC[C@H](NC(=O)CC1=CSC(CC2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL300020162275	1	44	-1.0	-55.89	403.49	4.62	-51.27
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2F)C=C1)C1=NN=N[N-]1	REAL300020162276	0	40	-1.0	-54.62	363.47	5.40	-49.22
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2F)C=C1)C1=N[N-]N=N1	REAL300020162276	1	40	-1.0	-54.66	363.41	5.39	-49.27
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCOCC1)C1=N[N-]N=N1	REAL300020162277	0	47	-1.0	-48.19	381.67	5.00	-43.19
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCOCC1)C1=NN=N[N-]1	REAL300020162277	1	47	-1.0	-48.17	381.73	5.02	-43.15
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=N1	REAL300020162278	0	36	-1.0	-46.82	324.97	0.83	-45.99
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=N1	REAL300020162278	1	36	-1.0	-46.85	324.91	0.81	-46.04
CCCS(=O)(=O)C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162279	0	45	-1.0	-56.96	388.36	4.33	-52.63
CCCS(=O)(=O)C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162279	1	45	-1.0	-56.92	388.42	4.34	-52.58
CSCC[C@H](NC(=O)CC1=C(C)N=C(C)NC1=O)C1=N[N-]N=N1	REAL300020162280	0	41	-1.0	-52.61	360.11	1.94	-50.67
CSCC[C@H](NC(=O)CC1=C(C)N=C(C)NC1=O)C1=NN=N[N-]1	REAL300020162280	1	41	-1.0	-52.60	360.17	1.96	-50.64
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=C(C)O2)S1)C1=NN=N[N-]1	REAL300020162281	0	42	-1.0	-45.67	386.59	4.57	-41.10
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=C(C)O2)S1)C1=N[N-]N=N1	REAL300020162281	1	42	-1.0	-45.66	386.53	4.56	-41.10
CSCC[C@H](NC(=O)C1CC(=O)N(CC2=CC=CC=N2)C1)C1=N[N-]N=N1	REAL300020162282	0	46	-1.0	-52.42	401.43	3.85	-48.57
CSCC[C@H](NC(=O)C1CC(=O)N(CC2=CC=CC=N2)C1)C1=NN=N[N-]1	REAL300020162282	1	46	-1.0	-52.43	401.49	3.87	-48.56
CSCC[C@H](NC(=O)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)C1=NN=N[N-]1	REAL300020162283	0	45	-1.0	-57.39	403.74	6.58	-50.81
CSCC[C@H](NC(=O)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)C1=N[N-]N=N1	REAL300020162283	1	45	-1.0	-57.41	403.68	6.57	-50.84
CSCC[C@H](NC(=O)CCCC1=NC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL300020162284	0	49	-1.0	-52.12	418.35	3.54	-48.58
CSCC[C@H](NC(=O)CCCC1=NC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL300020162284	1	49	-1.0	-52.13	418.41	3.56	-48.57
CSCC[C@H](NC(=O)CC1=CC=C(C(C)=O)C=C1)C1=N[N-]N=N1	REAL300020162285	0	41	-1.0	-52.38	362.67	5.16	-47.22
CSCC[C@H](NC(=O)CC1=CC=C(C(C)=O)C=C1)C1=NN=N[N-]1	REAL300020162285	1	41	-1.0	-52.41	362.73	5.17	-47.24
CSCC[C@H](NC(=O)CN(C)S(=O)(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020162286	0	43	-1.0	-60.82	392.50	0.68	-60.14
CSCC[C@H](NC(=O)CN(C)S(=O)(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL300020162286	1	43	-1.0	-60.82	392.44	0.67	-60.15
CSCC[C@H](NC(=O)C1=CC=C(F)C(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020162287	0	38	-1.0	-51.70	357.15	-0.89	-52.59
CSCC[C@H](NC(=O)C1=CC=C(F)C(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020162287	1	38	-1.0	-51.73	357.21	-0.87	-52.60
COC(=O)N(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162288	0	37	-1.0	-48.06	332.66	1.77	-46.29
COC(=O)N(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162288	1	37	-1.0	-48.06	332.72	1.78	-46.28
CSCC[C@H](NC(=O)C1CCCN(C(=O)N2CCCC2)C1)C1=N[N-]N=N1	REAL300020162289	0	52	-1.0	-52.06	412.87	4.58	-47.48
CSCC[C@H](NC(=O)C1CCCN(C(=O)N2CCCC2)C1)C1=NN=N[N-]1	REAL300020162289	1	52	-1.0	-52.01	412.92	4.60	-47.41
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL300020162290	0	40	-1.0	-44.63	371.72	5.99	-38.64
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL300020162290	1	40	-1.0	-44.58	371.78	6.01	-38.57
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)C1=NN=N[N-]1	REAL300020162291	0	42	-1.0	-57.78	387.23	5.92	-51.86
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)C1=N[N-]N=N1	REAL300020162291	1	42	-1.0	-57.81	387.18	5.91	-51.90
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(C)O2)=N1)C1=NN=N[N-]1	REAL300020162292	0	39	-1.0	-49.95	369.31	3.76	-46.19
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(C)O2)=N1)C1=N[N-]N=N1	REAL300020162292	1	39	-1.0	-49.95	369.25	3.75	-46.20
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)N1CCCCC1=O)C1=N[N-]N=N1	REAL300020162293	0	50	-1.0	-52.92	408.10	7.98	-44.94
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)N1CCCCC1=O)C1=NN=N[N-]1	REAL300020162293	1	50	-1.0	-52.90	408.16	7.99	-44.91
CSCC[C@H](NC(=O)CCCC1=NC(C)=NO1)C1=N[N-]N=N1	REAL300020162294	0	40	-1.0	-52.01	356.63	1.93	-50.08
CSCC[C@H](NC(=O)CCCC1=NC(C)=NO1)C1=NN=N[N-]1	REAL300020162294	1	40	-1.0	-52.04	356.68	1.95	-50.09
CSCC[C@H](NC(=O)CC1=CSC(CC2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020162295	0	45	-1.0	-50.48	408.99	6.41	-44.07
CSCC[C@H](NC(=O)CC1=CSC(CC2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020162295	1	45	-1.0	-50.52	409.04	6.42	-44.10
CSCC[C@H](NC(=O)C1=C(C)C2=C(CCCC2=O)O1)C1=N[N-]N=N1	REAL300020162296	0	42	-1.0	-50.94	363.87	4.59	-46.35
CSCC[C@H](NC(=O)C1=C(C)C2=C(CCCC2=O)O1)C1=NN=N[N-]1	REAL300020162296	1	42	-1.0	-50.96	363.93	4.61	-46.35
CSCC[C@H](NC(=O)C1=CC=CC=C1S(=O)(=O)C(C)C)C1=N[N-]N=N1	REAL300020162297	0	45	-1.0	-58.04	386.39	4.21	-53.83
CSCC[C@H](NC(=O)C1=CC=CC=C1S(=O)(=O)C(C)C)C1=NN=N[N-]1	REAL300020162297	1	45	-1.0	-58.07	386.44	4.22	-53.85
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(F)C=C2F)N=C1)C1=N[N-]N=N1	REAL300020162298	0	43	-1.0	-48.55	388.20	5.89	-42.66
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(F)C=C2F)N=C1)C1=NN=N[N-]1	REAL300020162298	1	43	-1.0	-48.59	388.26	5.90	-42.69
CSCC[C@H](NC(=O)C1=CC=CC(OCC2=CC=CS2)=C1)C1=N[N-]N=N1	REAL300020162299	0	44	-1.0	-50.65	399.01	6.45	-44.20
CSCC[C@H](NC(=O)C1=CC=CC(OCC2=CC=CS2)=C1)C1=NN=N[N-]1	REAL300020162299	1	44	-1.0	-50.67	399.06	6.46	-44.21
CSCC[C@H](NC(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=NN=N[N-]1	REAL300020162300	0	40	-2.0	-86.78	362.93	-0.64	-87.42
CSCC[C@H](NC(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=N[N-]N=N1	REAL300020162300	1	40	-2.0	-86.80	362.88	-0.65	-87.45
CSCC[C@H](NC(=O)C1=CSC(CC2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020162301	0	42	-1.0	-47.49	388.11	5.57	-41.92
CSCC[C@H](NC(=O)C1=CSC(CC2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020162301	1	42	-1.0	-47.49	388.17	5.58	-41.91
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)NC(C)C)=C1)C1=N[N-]N=N1	REAL300020162302	0	48	-1.0	-60.20	410.60	3.29	-56.91
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)NC(C)C)=C1)C1=NN=N[N-]1	REAL300020162302	1	48	-1.0	-60.27	410.66	3.31	-56.96
CCC(CC)N1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1=O	REAL300020162303	0	49	-1.0	-44.18	402.95	5.36	-38.82
CCC(CC)N1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1=O	REAL300020162303	1	49	-1.0	-44.17	403.01	5.38	-38.79
CSCC[C@H](NC(=O)C1=CNC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162304	0	41	-1.0	-53.47	361.46	5.61	-47.86
CSCC[C@H](NC(=O)C1=CNC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162304	1	41	-1.0	-53.46	361.40	5.60	-47.86
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CC(Cl)=C2)=N1)C1=NN=N[N-]1	REAL300020162305	0	39	-1.0	-48.30	381.58	5.41	-42.89
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CC(Cl)=C2)=N1)C1=N[N-]N=N1	REAL300020162305	1	39	-1.0	-48.31	381.52	5.40	-42.91
CCC(=O)NC(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162306	0	39	-1.0	-42.89	340.68	1.12	-41.77
CCC(=O)NC(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162306	1	39	-1.0	-42.99	340.73	1.13	-41.86
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)C=C1)C1=N[N-]N=N1	REAL300020162307	0	38	-1.0	-47.29	338.75	4.51	-42.78
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)C=C1)C1=NN=N[N-]1	REAL300020162307	1	38	-1.0	-47.26	338.81	4.52	-42.74
CSCC[C@H](NC(=O)CCNC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162308	0	47	-1.0	-51.90	415.55	3.47	-48.43
CSCC[C@H](NC(=O)CCNC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162308	1	47	-1.0	-51.91	415.61	3.48	-48.43
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020162309	0	46	-1.0	-47.67	399.34	6.16	-41.51
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020162309	1	46	-1.0	-47.66	399.40	6.18	-41.48
CSCC[C@H](NC(=O)C(C#N)=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020162310	0	38	-1.0	-43.87	354.08	5.43	-38.44
CSCC[C@H](NC(=O)C(C#N)=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020162310	1	38	-1.0	-43.86	354.13	5.45	-38.41
CSCC[C@H](NC(=O)C1=CC=C(C(N)=S)C=C1)C1=N[N-]N=N1	REAL300020162311	0	37	-1.0	-50.14	345.23	3.32	-46.82
CSCC[C@H](NC(=O)C1=CC=C(C(N)=S)C=C1)C1=NN=N[N-]1	REAL300020162311	1	37	-1.0	-50.12	345.28	3.34	-46.78
CSCC[C@H](NC(=O)C=CC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020162312	0	37	-1.0	-49.41	345.81	5.45	-43.96
CSCC[C@H](NC(=O)C=CC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020162312	1	37	-1.0	-49.42	345.87	5.46	-43.96
CSCC[C@H](NC(=O)CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162313	0	42	-1.0	-47.49	365.05	6.35	-41.14
CSCC[C@H](NC(=O)CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162313	1	42	-1.0	-47.50	365.11	6.36	-41.14
CSCC[C@H](NC(=O)C1=C2C=CNC2=CC=C1)C1=NN=N[N-]1	REAL300020162314	0	37	-1.0	-53.08	326.68	4.11	-48.97
CSCC[C@H](NC(=O)C1=C2C=CNC2=CC=C1)C1=N[N-]N=N1	REAL300020162314	1	37	-1.0	-53.14	326.62	4.10	-49.04
CSCC[C@H](NC(=O)C1=CC(F)=CC(Br)=C1)C1=N[N-]N=N1	REAL300020162315	0	33	-1.0	-42.43	325.24	4.77	-37.66
CSCC[C@H](NC(=O)C1=CC(F)=CC(Br)=C1)C1=NN=N[N-]1	REAL300020162315	1	33	-1.0	-42.43	325.30	4.78	-37.65
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL300020162316	0	40	-1.0	-51.64	356.08	5.80	-45.84
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL300020162316	1	40	-1.0	-51.64	356.02	5.78	-45.86
CSCC[C@H](NC(=O)CCOC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020162317	0	40	-1.0	-44.03	368.76	4.91	-39.12
CSCC[C@H](NC(=O)CCOC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020162317	1	40	-1.0	-44.02	368.82	4.93	-39.09
CSCC[C@H](NC(=O)C1=CC=C(CN2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300020162318	0	43	-1.0	-53.56	380.81	7.35	-46.21
CSCC[C@H](NC(=O)C1=CC=C(CN2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300020162318	1	43	-1.0	-53.61	380.86	7.36	-46.25
CSCC[C@H](NC(=O)C1=C(Br)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020162319	0	37	-1.0	-46.40	349.67	4.65	-41.75
CSCC[C@H](NC(=O)C1=C(Br)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020162319	1	37	-1.0	-46.46	349.73	4.66	-41.80
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)C=C1F)C1=N[N-]N=N1	REAL300020162320	0	43	-1.0	-50.94	376.16	7.57	-43.37
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)C=C1F)C1=NN=N[N-]1	REAL300020162320	1	43	-1.0	-50.91	376.21	7.58	-43.33
CSCC[C@H](NC(=O)C1=CC=CN=C1N1CCCCC1)C1=N[N-]N=N1	REAL300020162321	0	47	-1.0	-49.95	389.85	5.67	-44.28
CSCC[C@H](NC(=O)C1=CC=CN=C1N1CCCCC1)C1=NN=N[N-]1	REAL300020162321	1	47	-1.0	-49.97	389.91	5.69	-44.28
CSCC[C@H](NC(=O)CCOCC1CCCO1)C1=N[N-]N=N1	REAL300020162322	0	44	-1.0	-46.01	374.75	2.26	-43.75
CSCC[C@H](NC(=O)CCOCC1CCCO1)C1=NN=N[N-]1	REAL300020162322	1	44	-1.0	-45.98	374.81	2.27	-43.71
CSCC[C@H](NC(=O)COCCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162323	0	44	-1.0	-54.72	386.55	4.90	-49.82
CSCC[C@H](NC(=O)COCCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162323	1	44	-1.0	-54.72	386.61	4.91	-49.81
COC1=CC=CC(COCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162324	0	44	-1.0	-52.87	386.14	4.45	-48.42
COC1=CC=CC(COCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162324	1	44	-1.0	-52.84	386.20	4.47	-48.37
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)N(C)N=C1)C1=NN=N[N-]1	REAL300020162325	0	36	-1.0	-46.88	332.78	2.66	-44.22
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)N(C)N=C1)C1=N[N-]N=N1	REAL300020162325	1	36	-1.0	-46.85	332.73	2.64	-44.21
CSCC[C@H](NC(=O)C1=CN(C2=CC=C(C)C=C2)N=N1)C1=NN=N[N-]1	REAL300020162326	0	42	-1.0	-46.31	376.29	4.47	-41.84
CSCC[C@H](NC(=O)C1=CN(C2=CC=C(C)C=C2)N=N1)C1=N[N-]N=N1	REAL300020162326	1	42	-1.0	-46.31	376.23	4.45	-41.86
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL300020162327	0	49	-1.0	-47.76	419.22	6.81	-40.95
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL300020162327	1	49	-1.0	-47.74	419.28	6.83	-40.91
COCCS(=O)(=O)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162328	0	39	-1.0	-59.69	358.81	-1.26	-60.95
COCCS(=O)(=O)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162328	1	39	-1.0	-59.65	358.87	-1.25	-60.90
CSCC[C@H](NC(=O)CC1=CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020162329	0	42	-1.0	-51.09	372.52	3.82	-47.27
CSCC[C@H](NC(=O)CC1=CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020162329	1	42	-1.0	-51.15	372.57	3.84	-47.31
CSCC[C@H](NC(=O)C1=CN=C2C=C(C)C=CN2C1=O)C1=N[N-]N=N1	REAL300020162330	0	41	-1.0	-57.71	361.46	4.90	-52.81
CSCC[C@H](NC(=O)C1=CN=C2C=C(C)C=CN2C1=O)C1=NN=N[N-]1	REAL300020162330	1	41	-1.0	-57.76	361.52	4.91	-52.85
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020162331	0	39	-1.0	-46.10	364.38	5.02	-41.08
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020162331	1	39	-1.0	-46.12	364.33	5.00	-41.12
CCCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL300020162332	0	52	-1.0	-47.89	438.88	7.52	-40.37
CCCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL300020162332	1	52	-1.0	-47.93	438.94	7.54	-40.39
CSCC[C@H](NC(=O)CCCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL300020162333	0	42	-1.0	-55.15	370.40	3.02	-52.13
CSCC[C@H](NC(=O)CCCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL300020162333	1	42	-1.0	-55.18	370.45	3.03	-52.15
CSCC[C@H](NC(=O)CCOC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020162334	0	40	-1.0	-45.68	374.62	4.96	-40.72
CSCC[C@H](NC(=O)CCOC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020162334	1	40	-1.0	-45.71	374.68	4.98	-40.73
CSCC[C@H](NC(=O)C1=C(C)OC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL300020162335	0	39	-1.0	-46.14	366.78	2.31	-43.83
CSCC[C@H](NC(=O)C1=C(C)OC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL300020162335	1	39	-1.0	-46.15	366.72	2.30	-43.85
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC(F)=C2)=NO1)C1=NN=N[N-]1	REAL300020162336	0	39	-1.0	-42.48	362.67	5.15	-37.33
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC(F)=C2)=NO1)C1=N[N-]N=N1	REAL300020162336	1	39	-1.0	-42.48	362.61	5.14	-37.34
CSCC[C@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C1=N[N-]N=N1	REAL300020162337	0	52	-1.0	-56.34	412.43	4.42	-51.92
CSCC[C@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C1=NN=N[N-]1	REAL300020162337	1	52	-1.0	-56.34	412.49	4.43	-51.91
CSCC[C@H](NC(=O)C1=CC2=CC=CC(Br)=C2O1)C1=N[N-]N=N1	REAL300020162338	0	36	-1.0	-45.74	350.07	5.10	-40.64
CSCC[C@H](NC(=O)C1=CC2=CC=CC(Br)=C2O1)C1=NN=N[N-]1	REAL300020162338	1	36	-1.0	-45.72	350.13	5.11	-40.61
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300020162339	0	53	-1.0	-44.88	444.90	8.08	-36.80
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300020162339	1	53	-1.0	-44.90	444.95	8.09	-36.81
CSCC[C@H](NC(=O)CN1N=CC2=CC=C([N+](=O)[O-])C=C21)C1=NN=N[N-]1	REAL300020162340	0	41	-1.0	-52.53	378.94	5.05	-47.48
CSCC[C@H](NC(=O)CN1N=CC2=CC=C([N+](=O)[O-])C=C21)C1=N[N-]N=N1	REAL300020162340	1	41	-1.0	-52.53	378.88	5.03	-47.50
CSCC[C@H](NC(=O)CS(=O)(=O)CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162341	0	48	-1.0	-64.16	428.05	4.27	-59.89
CSCC[C@H](NC(=O)CS(=O)(=O)CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162341	1	48	-1.0	-64.19	428.10	4.28	-59.91
CCN1CCN(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(=O)C1=O	REAL300020162342	0	44	-1.0	-56.24	382.50	3.09	-53.15
CCN1CCN(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(=O)C1=O	REAL300020162342	1	44	-1.0	-56.23	382.55	3.10	-53.13
COC1=CC=C2NC=C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C2=C1	REAL300020162343	0	44	-1.0	-57.87	383.61	4.10	-53.77
COC1=CC=C2NC=C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C2=C1	REAL300020162343	1	44	-1.0	-57.91	383.67	4.12	-53.79
CSCC[C@H](NC(=O)C1CCN(C2=NC=CC=N2)CC1)C1=NN=N[N-]1	REAL300020162344	0	46	-1.0	-51.33	385.93	4.89	-46.44
CSCC[C@H](NC(=O)C1CCN(C2=NC=CC=N2)CC1)C1=N[N-]N=N1	REAL300020162344	1	46	-1.0	-51.33	385.87	4.88	-46.45
CSCC[C@H](NC(=O)C(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL300020162345	0	35	-1.0	-64.10	320.27	-0.16	-64.26
CSCC[C@H](NC(=O)C(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL300020162345	1	35	-1.0	-64.10	320.32	-0.15	-64.25
CSCC[C@H](NC(=O)CCC(=O)C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162346	0	47	-1.0	-47.72	405.13	7.67	-40.05
CSCC[C@H](NC(=O)CCC(=O)C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162346	1	47	-1.0	-47.74	405.18	7.68	-40.06
CSCC[C@H](NC(=O)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020162347	0	42	-1.0	-50.26	383.55	7.23	-43.03
CSCC[C@H](NC(=O)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020162347	1	42	-1.0	-50.27	383.61	7.24	-43.03
CSCC[C@H](NC(=O)C1=C(C)OC(C)=C1S(N)(=O)=O)C1=N[N-]N=N1	REAL300020162348	0	41	-1.0	-53.62	377.72	-1.38	-55.00
CSCC[C@H](NC(=O)C1=C(C)OC(C)=C1S(N)(=O)=O)C1=NN=N[N-]1	REAL300020162348	1	41	-1.0	-53.54	377.78	-1.36	-54.90
CSCC[C@H](NC(=O)C1=CC=CN=C1N(C)C)C1=N[N-]N=N1	REAL300020162349	0	40	-1.0	-48.55	347.17	3.75	-44.80
CSCC[C@H](NC(=O)C1=CC=CN=C1N(C)C)C1=NN=N[N-]1	REAL300020162349	1	40	-1.0	-48.57	347.23	3.77	-44.80
CCC1=CC(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Cl	REAL300020162350	0	43	-1.0	-47.73	386.56	6.45	-41.28
CCC1=CC(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Cl	REAL300020162350	1	43	-1.0	-47.74	386.62	6.47	-41.27
CSCC[C@H](NC(=O)C(C)OC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL300020162351	0	47	-1.0	-50.29	393.26	7.18	-43.11
CSCC[C@H](NC(=O)C(C)OC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL300020162351	1	47	-1.0	-50.34	393.32	7.19	-43.15
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020162352	0	40	-1.0	-51.79	379.72	6.23	-45.56
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300020162352	1	40	-1.0	-51.81	379.78	6.24	-45.57
CSCC[C@H](NC(=O)CCCC1=NC(C2=CC=CS2)=NO1)C1=NN=N[N-]1	REAL300020162353	0	44	-1.0	-54.47	406.92	3.99	-50.48
CSCC[C@H](NC(=O)CCCC1=NC(C2=CC=CS2)=NO1)C1=N[N-]N=N1	REAL300020162353	1	44	-1.0	-54.43	406.86	3.98	-50.45
COC1=CC=CC(COC(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162354	0	47	-1.0	-53.89	405.93	5.14	-48.75
COC1=CC=CC(COC(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162354	1	47	-1.0	-53.90	405.98	5.16	-48.74
CSCC[C@H](NC(=O)CCCC1=NN=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020162355	0	47	-1.0	-56.08	416.59	2.31	-53.77
CSCC[C@H](NC(=O)CCCC1=NN=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020162355	1	47	-1.0	-56.06	416.65	2.33	-53.73
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)C)S1)C1=N[N-]N=N1	REAL300020162356	0	41	-1.0	-44.49	365.91	3.93	-40.56
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)C)S1)C1=NN=N[N-]1	REAL300020162356	1	41	-1.0	-44.51	365.97	3.94	-40.57
CCCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020162357	0	41	-1.0	-44.48	366.63	4.11	-40.37
CCCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020162357	1	41	-1.0	-44.55	366.69	4.12	-40.43
CSCC[C@H](NC(=O)CCCC1=NC=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020162358	0	48	-1.0	-53.59	420.24	4.82	-48.77
CSCC[C@H](NC(=O)CCCC1=NC=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020162358	1	48	-1.0	-53.61	420.30	4.83	-48.78
CSCC[C@H](NC(=O)C1=CC=C2C=CNC2=C1)C1=NN=N[N-]1	REAL300020162359	0	37	-1.0	-49.30	328.83	4.14	-45.16
CSCC[C@H](NC(=O)C1=CC=C2C=CNC2=C1)C1=N[N-]N=N1	REAL300020162359	1	37	-1.0	-49.27	328.78	4.12	-45.15
CSCC[C@H](NC(=O)C1=CC=C(N2CCOC2=O)C=C1)C1=N[N-]N=N1	REAL300020162360	0	42	-1.0	-56.84	366.07	4.17	-52.67
CSCC[C@H](NC(=O)C1=CC=C(N2CCOC2=O)C=C1)C1=NN=N[N-]1	REAL300020162360	1	42	-1.0	-56.88	366.13	4.18	-52.70
CSCC[C@H](NC(=O)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1)C1=NN=N[N-]1	REAL300020162361	0	42	-1.0	-46.97	386.76	5.92	-41.05
CSCC[C@H](NC(=O)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1)C1=N[N-]N=N1	REAL300020162361	1	42	-1.0	-46.96	386.70	5.90	-41.06
CSCC[C@H](NC(=O)C1=CC=CC(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL300020162362	0	43	-1.0	-65.15	369.98	2.82	-62.33
CSCC[C@H](NC(=O)C1=CC=CC(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL300020162362	1	43	-1.0	-65.15	370.03	2.83	-62.32
CSCC[C@H](NC(=O)C1=CC=C(N2CCC(C)=N2)C=C1)C1=N[N-]N=N1	REAL300020162363	0	45	-1.0	-52.13	387.56	5.55	-46.58
CSCC[C@H](NC(=O)C1=CC=C(N2CCC(C)=N2)C=C1)C1=NN=N[N-]1	REAL300020162363	1	45	-1.0	-52.11	387.62	5.57	-46.54
CSCC[C@H](NC(=O)C(=O)NC1=NOC(C)=C1)C1=N[N-]N=N1	REAL300020162364	0	36	-1.0	-42.32	331.04	1.53	-40.79
CSCC[C@H](NC(=O)C(=O)NC1=NOC(C)=C1)C1=NN=N[N-]1	REAL300020162364	1	36	-1.0	-42.33	331.09	1.55	-40.78
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CCCC1)C1=N[N-]N=N1	REAL300020162365	0	46	-1.0	-45.35	391.26	7.93	-37.42
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CCCC1)C1=NN=N[N-]1	REAL300020162365	1	46	-1.0	-45.34	391.32	7.95	-37.39
CSCC[C@H](NC(=O)C1=CC=C(OC(C)C)N=C1)C1=NN=N[N-]1	REAL300020162366	0	42	-1.0	-44.28	366.70	2.66	-41.62
CSCC[C@H](NC(=O)C1=CC=C(OC(C)C)N=C1)C1=N[N-]N=N1	REAL300020162366	1	42	-1.0	-44.29	366.64	2.65	-41.64
CSCC[C@H](NC(=O)CC1=NN2C=CC=NC2=N1)C1=N[N-]N=N1	REAL300020162367	0	37	-1.0	-63.81	339.37	4.66	-59.15
CSCC[C@H](NC(=O)CC1=NN2C=CC=NC2=N1)C1=NN=N[N-]1	REAL300020162367	1	37	-1.0	-63.86	339.43	4.68	-59.18
CSCC[C@H](NC(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C1=N[N-]N=N1	REAL300020162368	0	38	-1.0	-46.83	348.15	-0.43	-47.26
CSCC[C@H](NC(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C1=NN=N[N-]1	REAL300020162368	1	38	-1.0	-46.88	348.21	-0.41	-47.29
CSCC[C@H](NC(=O)CCS(=O)(=O)CC(C)C)C1=N[N-]N=N1	REAL300020162369	0	44	-1.0	-49.30	384.00	1.81	-47.49
CSCC[C@H](NC(=O)CCS(=O)(=O)CC(C)C)C1=NN=N[N-]1	REAL300020162369	1	44	-1.0	-49.34	384.05	1.83	-47.51
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Br)N1)C1=N[N-]N=N1	REAL300020162370	0	31	-1.0	-41.96	322.97	2.87	-39.09
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Br)N1)C1=NN=N[N-]1	REAL300020162370	1	31	-1.0	-41.93	323.03	2.89	-39.04
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300020162371	0	39	-1.0	-43.02	356.26	5.09	-37.93
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300020162371	1	39	-1.0	-43.03	356.20	5.08	-37.95
CSCC[C@H](NC(=O)CC1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020162372	0	40	-1.0	-45.59	368.15	4.56	-41.03
CSCC[C@H](NC(=O)CC1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020162372	1	40	-1.0	-45.57	368.21	4.57	-41.00
CSCC[C@H](NC(=O)C1=CC=C(N(C)C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020162373	0	47	-1.0	-45.46	405.93	6.52	-38.94
CSCC[C@H](NC(=O)C1=CC=C(N(C)C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020162373	1	47	-1.0	-45.48	405.87	6.51	-38.97
CSCC[C@H](NC(=O)CSCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020162374	0	41	-1.0	-49.97	387.44	6.53	-43.44
CSCC[C@H](NC(=O)CSCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020162374	1	41	-1.0	-49.94	387.49	6.54	-43.40
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC(F)F	REAL300020162375	0	41	-1.0	-53.00	365.91	3.60	-49.40
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC(F)F	REAL300020162375	1	41	-1.0	-53.01	365.97	3.62	-49.39
CSCC[C@H](NC(=O)C1=CC=CC(N2CCOC2=O)=C1)C1=N[N-]N=N1	REAL300020162376	0	42	-1.0	-65.96	366.27	4.15	-61.81
CSCC[C@H](NC(=O)C1=CC=CC(N2CCOC2=O)=C1)C1=NN=N[N-]1	REAL300020162376	1	42	-1.0	-65.93	366.33	4.16	-61.77
CSCC[C@H](NC(=O)C1=C(C)N(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020162377	0	45	-1.0	-47.37	370.95	4.09	-43.28
CSCC[C@H](NC(=O)C1=C(C)N(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020162377	1	45	-1.0	-47.34	371.01	4.10	-43.24
CSCC[C@H](NC(=O)C1=CNC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020162378	0	35	-1.0	-58.86	321.64	-1.36	-60.22
CSCC[C@H](NC(=O)C1=CNC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020162378	1	35	-1.0	-58.88	321.70	-1.34	-60.22
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC(C)=N2)C=C1)C1=N[N-]N=N1	REAL300020162379	0	43	-1.0	-50.50	377.74	5.89	-44.61
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC(C)=N2)C=C1)C1=NN=N[N-]1	REAL300020162379	1	43	-1.0	-50.50	377.80	5.90	-44.60
CSCC[C@H](NC(=O)CC1=CC=C(N2N=C(C)C=C2C)C=C1)C1=N[N-]N=N1	REAL300020162380	0	49	-1.0	-49.86	421.25	6.96	-42.90
CSCC[C@H](NC(=O)CC1=CC=C(N2N=C(C)C=C2C)C=C1)C1=NN=N[N-]1	REAL300020162380	1	49	-1.0	-49.83	421.30	6.97	-42.86
CSCC[C@H](NC(=O)CS(=O)(=O)C1CCCC1)C1=N[N-]N=N1	REAL300020162381	0	42	-1.0	-61.90	367.07	1.60	-60.30
CSCC[C@H](NC(=O)CS(=O)(=O)C1CCCC1)C1=NN=N[N-]1	REAL300020162381	1	42	-1.0	-61.92	367.13	1.61	-60.31
CCOC1=CC=CC2=C1OCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)=C2	REAL300020162382	0	46	-1.0	-48.26	394.55	5.35	-42.91
CCOC1=CC=CC2=C1OCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)=C2	REAL300020162382	1	46	-1.0	-48.20	394.60	5.37	-42.83
COC1=CC=CC=C1C1=NNC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162383	0	44	-1.0	-47.45	386.26	3.71	-43.74
COC1=CC=CC=C1C1=NNC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162383	1	44	-1.0	-47.46	386.32	3.73	-43.73
CSCC[C@H](NC(=O)C1=CC(C2=CC=CS2)=NN1)C1=N[N-]N=N1	REAL300020162384	0	37	-1.0	-44.74	351.21	3.25	-41.49
CSCC[C@H](NC(=O)C1=CC(C2=CC=CS2)=NN1)C1=NN=N[N-]1	REAL300020162384	1	37	-1.0	-44.74	351.27	3.26	-41.48
COC1=CC(C#N)=CC=C1OCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162385	0	48	-1.0	-53.18	423.56	5.47	-47.71
COC1=CC(C#N)=CC=C1OCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162385	1	48	-1.0	-53.20	423.62	5.48	-47.72
CSCC[C@H](NC(=O)C1=CC(CC(C)C)=NN1)C1=N[N-]N=N1	REAL300020162386	0	42	-1.0	-43.96	363.40	3.18	-40.78
CSCC[C@H](NC(=O)C1=CC(CC(C)C)=NN1)C1=NN=N[N-]1	REAL300020162386	1	42	-1.0	-43.97	363.45	3.19	-40.78
COCCOC(=O)C1=C(C)NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020162387	0	50	-1.0	-49.83	435.88	3.96	-45.87
COCCOC(=O)C1=C(C)NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020162387	1	50	-1.0	-49.82	435.94	3.98	-45.84
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C	REAL300020162388	0	39	-1.0	-47.33	340.41	3.04	-44.29
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C	REAL300020162388	1	39	-1.0	-47.33	340.47	3.06	-44.27
CSCC[C@H](NC(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2O1)C1=N[N-]N=N1	REAL300020162389	0	38	-1.0	-43.58	356.86	5.16	-38.42
CSCC[C@H](NC(=O)C1=CC2=CC([N+](=O)[O-])=CC=C2O1)C1=NN=N[N-]1	REAL300020162389	1	38	-1.0	-43.56	356.92	5.17	-38.39
CCC(OC1=CC=CC=C1C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162390	0	46	-1.0	-49.41	383.16	6.53	-42.88
CCC(OC1=CC=CC=C1C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162390	1	46	-1.0	-49.43	383.22	6.55	-42.88
CSCC[C@H](NC(=O)C1=CC(C2=CC=C3OCOC3=C2)=NN1)C1=N[N-]N=N1	REAL300020162391	0	43	-1.0	-46.17	385.02	2.79	-43.38
CSCC[C@H](NC(=O)C1=CC(C2=CC=C3OCOC3=C2)=NN1)C1=NN=N[N-]1	REAL300020162391	1	43	-1.0	-46.14	385.08	2.80	-43.34
CCOC1=CC=CC=C1C1=NNC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162392	0	47	-1.0	-47.37	408.11	4.64	-42.73
CCOC1=CC=CC=C1C1=NNC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162392	1	47	-1.0	-47.38	408.17	4.65	-42.73
CSCC[C@H](NC(=O)C1=CC(C(C)C)=NN1)C1=N[N-]N=N1	REAL300020162393	0	39	-1.0	-43.68	341.56	2.42	-41.26
CSCC[C@H](NC(=O)C1=CC(C(C)C)=NN1)C1=NN=N[N-]1	REAL300020162393	1	39	-1.0	-43.70	341.62	2.43	-41.27
CSCC[C@H](NC(=O)CC1=CC=C(N2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020162394	0	43	-1.0	-53.16	380.57	5.98	-47.18
CSCC[C@H](NC(=O)CC1=CC=C(N2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020162394	1	43	-1.0	-53.10	380.52	5.97	-47.13
CSCC[C@H](NC(=O)CCCOC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162395	0	49	-1.0	-51.16	418.56	7.50	-43.66
CSCC[C@H](NC(=O)CCCOC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162395	1	49	-1.0	-51.14	418.62	7.51	-43.63
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)N(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020162396	0	45	-1.0	-47.02	381.27	4.32	-42.70
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)N(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020162396	1	45	-1.0	-46.99	381.21	4.30	-42.69
CSCC[C@H](NC(=O)CCC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020162397	0	38	-1.0	-45.72	338.43	3.79	-41.93
CSCC[C@H](NC(=O)CCC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020162397	1	38	-1.0	-45.73	338.49	3.80	-41.93
CSCC[C@H](NC(=O)C1=CN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL300020162398	0	36	-1.0	-46.01	322.32	2.89	-43.12
CSCC[C@H](NC(=O)C1=CN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL300020162398	1	36	-1.0	-46.01	322.38	2.90	-43.11
CCCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C	REAL300020162399	0	42	-1.0	-47.51	361.92	3.82	-43.69
CCCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C	REAL300020162399	1	42	-1.0	-47.52	361.97	3.84	-43.68
COC1=CC=C2C(=C1)C=CN2CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162400	0	44	-1.0	-52.21	384.87	5.54	-46.67
COC1=CC=C2C(=C1)C=CN2CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162400	1	44	-1.0	-52.23	384.93	5.55	-46.68
CSCC[C@H](NC(=O)C1=CC2=C(Cl)C(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL300020162401	0	37	-1.0	-45.86	363.05	4.97	-40.89
CSCC[C@H](NC(=O)C1=CC2=C(Cl)C(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL300020162401	1	37	-1.0	-45.86	363.11	4.99	-40.87
CSCC[C@H](NC(=O)C1=CC=C(OC(C)C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020162402	0	49	-1.0	-45.20	425.57	5.70	-39.50
CSCC[C@H](NC(=O)C1=CC=C(OC(C)C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020162402	1	49	-1.0	-45.17	425.51	5.69	-39.48
CSCC[C@H](NC(=O)CC1=CSC(N2C(C)=CC=C2C)=N1)C1=N[N-]N=N1	REAL300020162403	0	46	-1.0	-51.94	404.09	7.14	-44.80
CSCC[C@H](NC(=O)CC1=CSC(N2C(C)=CC=C2C)=N1)C1=NN=N[N-]1	REAL300020162403	1	46	-1.0	-51.92	404.15	7.16	-44.76
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020162404	0	42	-1.0	-46.85	374.08	6.32	-40.53
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020162404	1	42	-1.0	-46.87	374.14	6.33	-40.54
CSCC[C@H](NC(=O)C1=CC=C(C)C(NC(C)=O)=C1)C1=N[N-]N=N1	REAL300020162405	0	43	-1.0	-61.37	371.38	3.84	-57.53
CSCC[C@H](NC(=O)C1=CC=C(C)C(NC(C)=O)=C1)C1=NN=N[N-]1	REAL300020162405	1	43	-1.0	-61.39	371.43	3.85	-57.54
CSCC[C@H](NC(=O)C1=NN(C(C)(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300020162406	0	45	-1.0	-50.66	374.77	4.10	-46.56
CSCC[C@H](NC(=O)C1=NN(C(C)(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300020162406	1	45	-1.0	-50.65	374.82	4.12	-46.53
CSCC[C@H](NC(=O)CS(=O)(=O)CC(C)C)C1=N[N-]N=N1	REAL300020162407	0	41	-1.0	-61.08	361.89	1.23	-59.85
CSCC[C@H](NC(=O)CS(=O)(=O)CC(C)C)C1=NN=N[N-]1	REAL300020162407	1	41	-1.0	-61.07	361.95	1.25	-59.82
CSCC[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)C1=N[N-]N=N1	REAL300020162408	0	45	-1.0	-48.97	390.60	2.25	-46.72
CSCC[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)C1=NN=N[N-]1	REAL300020162408	1	45	-1.0	-48.99	390.66	2.27	-46.72
CSCC[C@H](NC(=O)CS(=O)(=O)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020162409	0	43	-1.0	-65.11	405.91	3.09	-62.02
CSCC[C@H](NC(=O)CS(=O)(=O)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020162409	1	43	-1.0	-65.13	405.96	3.11	-62.02
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020162410	0	40	-1.0	-47.22	353.96	4.92	-42.30
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020162410	1	40	-1.0	-47.23	354.02	4.93	-42.30
CSCC[C@H](NC(=O)CSC1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020162411	0	46	-1.0	-46.50	400.86	7.13	-39.37
CSCC[C@H](NC(=O)CSC1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020162411	1	46	-1.0	-46.51	400.92	7.15	-39.36
CSCC[C@H](NC(=O)C1=C(Br)C=CS1)C1=N[N-]N=N1	REAL300020162412	0	30	-1.0	-45.93	307.33	3.71	-42.22
CSCC[C@H](NC(=O)C1=C(Br)C=CS1)C1=NN=N[N-]1	REAL300020162412	1	30	-1.0	-45.90	307.39	3.72	-42.18
CSCC[C@H](NC(=O)C1=CC2=CC(Cl)=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL300020162413	0	37	-1.0	-42.64	363.10	4.99	-37.65
CSCC[C@H](NC(=O)C1=CC2=CC(Cl)=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL300020162413	1	37	-1.0	-42.62	363.15	5.00	-37.62
CSCC[C@H](NC(=O)C1=NC(N2CCCC2)=NC=C1Cl)C1=NN=N[N-]1	REAL300020162414	0	43	-1.0	-44.61	381.93	4.57	-40.04
CSCC[C@H](NC(=O)C1=NC(N2CCCC2)=NC=C1Cl)C1=N[N-]N=N1	REAL300020162414	1	43	-1.0	-44.62	381.88	4.55	-40.07
CSCC[C@H](NC(=O)C1=CC=CC=C1N(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162415	0	48	-1.0	-49.19	404.91	8.57	-40.62
CSCC[C@H](NC(=O)C1=CC=CC=C1N(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162415	1	48	-1.0	-49.19	404.97	8.58	-40.61
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)NC1=O)C1=NN=N[N-]1	REAL300020162416	0	43	-1.0	-55.90	374.17	4.86	-51.04
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)NC1=O)C1=N[N-]N=N1	REAL300020162416	1	43	-1.0	-55.91	374.12	4.85	-51.06
CSCC[C@H](NC(=O)CC1=C(C)N=C2C(=C1C)C(C)=NN2C)C1=N[N-]N=N1	REAL300020162417	0	50	-1.0	-53.89	416.89	5.34	-48.55
CSCC[C@H](NC(=O)CC1=C(C)N=C2C(=C1C)C(C)=NN2C)C1=NN=N[N-]1	REAL300020162417	1	50	-1.0	-53.88	416.95	5.35	-48.53
CSCC[C@H](NC(=O)CCN1C2=C(C=CC=C2)C2=C1C=CC=C2)C1=N[N-]N=N1	REAL300020162418	0	49	-1.0	-46.99	422.33	8.83	-38.16
CSCC[C@H](NC(=O)CCN1C2=C(C=CC=C2)C2=C1C=CC=C2)C1=NN=N[N-]1	REAL300020162418	1	49	-1.0	-46.98	422.38	8.84	-38.14
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=N[N-]N=N1	REAL300020162419	0	45	-1.0	-49.18	397.01	3.10	-46.08
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=NN=N[N-]1	REAL300020162419	1	45	-1.0	-49.19	397.07	3.12	-46.07
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020162420	0	36	-1.0	-41.64	348.54	5.39	-36.25
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020162420	1	36	-1.0	-41.66	348.48	5.38	-36.28
CSCC[C@H](NC(=O)C1=CC2=C(CCC2)NC1=O)C1=N[N-]N=N1	REAL300020162421	0	40	-1.0	-56.79	345.46	3.14	-53.65
CSCC[C@H](NC(=O)C1=CC2=C(CCC2)NC1=O)C1=NN=N[N-]1	REAL300020162421	1	40	-1.0	-56.80	345.52	3.16	-53.64
CSCC[C@H](NC(=O)C(OC1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162422	0	47	-1.0	-49.52	408.34	8.27	-41.25
CSCC[C@H](NC(=O)C(OC1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162422	1	47	-1.0	-49.48	408.39	8.28	-41.20
CSCC[C@H](NC(=O)CN1CCCCCCC1=O)C1=N[N-]N=N1	REAL300020162423	0	46	-1.0	-46.58	367.55	4.43	-42.15
CSCC[C@H](NC(=O)CN1CCCCCCC1=O)C1=NN=N[N-]1	REAL300020162423	1	46	-1.0	-46.65	367.61	4.45	-42.20
CSCC[C@H](NC(=O)C1=CC(=O)N(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020162424	0	42	-1.0	-47.73	361.21	4.91	-42.82
CSCC[C@H](NC(=O)C1=CC(=O)N(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020162424	1	42	-1.0	-47.75	361.27	4.92	-42.83
CSCC[C@H](NC(=O)CC(C)N1N=C(C)C=C1C)C1=N[N-]N=N1	REAL300020162425	0	45	-1.0	-43.24	382.75	4.46	-38.78
CSCC[C@H](NC(=O)CC(C)N1N=C(C)C=C1C)C1=NN=N[N-]1	REAL300020162425	1	45	-1.0	-43.27	382.81	4.47	-38.80
CSCC[C@H](NC(=O)C1=CC=CC(CC#N)=C1)C1=N[N-]N=N1	REAL300020162426	0	37	-1.0	-53.96	339.79	5.24	-48.72
CSCC[C@H](NC(=O)C1=CC=CC(CC#N)=C1)C1=NN=N[N-]1	REAL300020162426	1	37	-1.0	-53.98	339.85	5.25	-48.73
COC(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020162427	0	38	-1.0	-46.55	350.55	2.99	-43.56
COC(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020162427	1	38	-1.0	-46.55	350.50	2.97	-43.58
CSCC[C@H](NC(=O)CC1=NN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020162428	0	42	-1.0	-54.30	375.82	4.58	-49.72
CSCC[C@H](NC(=O)CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020162428	1	42	-1.0	-54.32	375.88	4.59	-49.73
CSCC[C@H](NC(=O)C1=CC=C(N2C=CNC2=S)C=C1)C1=N[N-]N=N1	REAL300020162429	0	41	-1.0	-58.71	380.02	6.84	-51.87
CSCC[C@H](NC(=O)C1=CC=C(N2C=CNC2=S)C=C1)C1=NN=N[N-]1	REAL300020162429	1	41	-1.0	-58.74	380.07	6.86	-51.88
CCCCCCCCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162430	0	53	-1.0	-45.21	434.13	8.01	-37.20
CCCCCCCCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162430	1	53	-1.0	-45.20	434.19	8.03	-37.17
COC(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162431	0	39	-1.0	-52.87	352.30	4.76	-48.11
COC(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162431	1	39	-1.0	-52.86	352.36	4.78	-48.08
CSCC[C@H](NC(=O)C(C)NC(=O)C1CCCC1)C1=N[N-]N=N1	REAL300020162432	0	46	-1.0	-45.45	383.71	3.02	-42.43
CSCC[C@H](NC(=O)C(C)NC(=O)C1CCCC1)C1=NN=N[N-]1	REAL300020162432	1	46	-1.0	-45.44	383.77	3.03	-42.41
CSCC[C@H](NC(=O)C1=CC(C(C)(C)C)=NN1)C1=N[N-]N=N1	REAL300020162433	0	42	-1.0	-43.81	361.61	3.01	-40.80
CSCC[C@H](NC(=O)C1=CC(C(C)(C)C)=NN1)C1=NN=N[N-]1	REAL300020162433	1	42	-1.0	-43.80	361.67	3.03	-40.77
CSCC[C@H](NC(=O)C1=CC(C2=C(C)N(C)N=C2C)=NN1)C1=N[N-]N=N1	REAL300020162434	0	46	-1.0	-48.38	404.02	2.95	-45.43
CSCC[C@H](NC(=O)C1=CC(C2=C(C)N(C)N=C2C)=NN1)C1=NN=N[N-]1	REAL300020162434	1	46	-1.0	-48.38	404.08	2.96	-45.42
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C)O2)=NN1)C1=N[N-]N=N1	REAL300020162435	0	40	-1.0	-46.33	364.00	3.07	-43.26
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C)O2)=NN1)C1=NN=N[N-]1	REAL300020162435	1	40	-1.0	-46.35	364.06	3.09	-43.26
CSCC[C@H](NC(=O)C1=NNC2=C1CCC2)C1=N[N-]N=N1	REAL300020162436	0	37	-1.0	-50.19	325.91	2.40	-47.79
CSCC[C@H](NC(=O)C1=NNC2=C1CCC2)C1=NN=N[N-]1	REAL300020162436	1	37	-1.0	-50.19	325.97	2.42	-47.77
CSCC[C@H](NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)CC1)C1=N[N-]N=N1	REAL300020162437	0	47	-1.0	-43.03	409.98	5.19	-37.84
CSCC[C@H](NC(=O)C1=NN(CC2=CC=CC=C2)C(=O)CC1)C1=NN=N[N-]1	REAL300020162437	1	47	-1.0	-43.02	410.03	5.20	-37.82
CSCC[C@H](NC(=O)C1=CC2=C(C)NN=C2N=C1)C1=N[N-]N=N1	REAL300020162438	0	38	-1.0	-50.99	340.59	2.63	-48.36
CSCC[C@H](NC(=O)C1=CC2=C(C)NN=C2N=C1)C1=NN=N[N-]1	REAL300020162438	1	38	-1.0	-50.98	340.64	2.64	-48.34
CSCC[C@H](NC(=O)C(=O)C1=CN(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020162439	0	44	-1.0	-45.23	382.92	3.70	-41.53
CSCC[C@H](NC(=O)C(=O)C1=CN(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020162439	1	44	-1.0	-45.24	382.98	3.72	-41.52
CSCC[C@H](NC(=O)CN(C)C1=C2NC=NC2=NC=N1)C1=N[N-]N=N1	REAL300020162440	0	42	-1.0	-49.58	363.72	3.57	-46.01
CSCC[C@H](NC(=O)CN(C)C1=C2NC=NC2=NC=N1)C1=NN=N[N-]1	REAL300020162440	1	42	-1.0	-49.61	363.78	3.59	-46.02
CSCC[C@H](NC(=O)C1=C(Cl)N=C2C=CC=CN21)C1=NN=N[N-]1	REAL300020162441	0	36	-1.0	-53.69	344.88	4.77	-48.92
CSCC[C@H](NC(=O)C1=C(Cl)N=C2C=CC=CN21)C1=N[N-]N=N1	REAL300020162441	1	36	-1.0	-53.68	344.82	4.75	-48.93
CSCC[C@H](NC(=O)C1=NC(N2CCOCC2)=NC=C1Cl)C1=NN=N[N-]1	REAL300020162442	0	44	-1.0	-43.38	391.04	3.08	-40.30
CSCC[C@H](NC(=O)C1=NC(N2CCOCC2)=NC=C1Cl)C1=N[N-]N=N1	REAL300020162442	1	44	-1.0	-43.40	390.98	3.07	-40.33
CSCC[C@H](NC(=O)CN1C=CC([N+](=O)[O-])=N1)C1=NN=N[N-]1	REAL300020162443	0	35	-1.0	-55.83	332.89	3.89	-51.94
CSCC[C@H](NC(=O)CN1C=CC([N+](=O)[O-])=N1)C1=N[N-]N=N1	REAL300020162443	1	35	-1.0	-55.84	332.83	3.87	-51.97
CSCC[C@H](NC(=O)CCCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020162444	0	42	-1.0	-47.12	381.78	6.87	-40.25
CSCC[C@H](NC(=O)CCCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020162444	1	42	-1.0	-47.08	381.84	6.88	-40.20
CSCC[C@H](NC(=O)CCOC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL300020162445	0	40	-1.0	-43.12	374.46	5.01	-38.11
CSCC[C@H](NC(=O)CCOC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL300020162445	1	40	-1.0	-43.11	374.52	5.02	-38.09
CSCC[C@H](NC(=O)CCOC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL300020162446	0	40	-1.0	-44.64	384.78	5.47	-39.17
CSCC[C@H](NC(=O)CCOC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL300020162446	1	40	-1.0	-44.70	384.84	5.48	-39.22
CSCC[C@H](NC(=O)CC1=CSC(NC(=O)C(C)C)=N1)C1=N[N-]N=N1	REAL300020162447	0	45	-1.0	-51.52	401.82	3.37	-48.15
CSCC[C@H](NC(=O)CC1=CSC(NC(=O)C(C)C)=N1)C1=NN=N[N-]1	REAL300020162447	1	45	-1.0	-51.48	401.88	3.39	-48.09
CSCC[C@H](NC(=O)C1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL300020162448	0	46	-1.0	-53.08	403.67	5.60	-47.48
CSCC[C@H](NC(=O)C1=CC=CC(OCC2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL300020162448	1	46	-1.0	-53.05	403.62	5.58	-47.47
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020162449	0	43	-1.0	-45.56	384.34	4.46	-41.10
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020162449	1	43	-1.0	-45.55	384.28	4.44	-41.11
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C(C)(C)C	REAL300020162450	0	48	-1.0	-47.52	387.75	4.64	-42.88
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C(C)(C)C	REAL300020162450	1	48	-1.0	-47.50	387.81	4.66	-42.84
CSCC[C@H](NC(=O)C1=C(C)C=C(Br)O1)C1=N[N-]N=N1	REAL300020162451	0	33	-1.0	-42.17	321.33	3.51	-38.66
CSCC[C@H](NC(=O)C1=C(C)C=C(Br)O1)C1=NN=N[N-]1	REAL300020162451	1	33	-1.0	-42.15	321.39	3.52	-38.63
CSCC[C@H](NC(=O)CCCN1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162452	0	45	-1.0	-54.56	392.40	7.13	-47.43
CSCC[C@H](NC(=O)CCCN1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162452	1	45	-1.0	-54.54	392.46	7.15	-47.39
CCCCS(=O)(=O)N1CCCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162453	0	50	-1.0	-64.30	423.75	3.69	-60.61
CCCCS(=O)(=O)N1CCCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162453	1	50	-1.0	-64.32	423.81	3.71	-60.61
CSCC[C@H](NC(=O)C1=CC=CC=C1N(C)C(=O)C1CC1)C1=N[N-]N=N1	REAL300020162454	0	47	-1.0	-50.97	400.85	7.03	-43.94
CSCC[C@H](NC(=O)C1=CC=CC=C1N(C)C(=O)C1CC1)C1=NN=N[N-]1	REAL300020162454	1	47	-1.0	-50.99	400.91	7.04	-43.95
CSCC[C@H](NC(=O)COC1CCCCC1)C1=N[N-]N=N1	REAL300020162455	0	43	-1.0	-48.50	358.62	4.76	-43.74
CSCC[C@H](NC(=O)COC1CCCCC1)C1=NN=N[N-]1	REAL300020162455	1	43	-1.0	-48.50	358.68	4.77	-43.73
CSCC[C@H](NC(=O)C1=NN(C(C)(C)C)C(C2CC2)=C1)C1=N[N-]N=N1	REAL300020162456	0	49	-1.0	-50.69	405.82	5.57	-45.12
CSCC[C@H](NC(=O)C1=NN(C(C)(C)C)C(C2CC2)=C1)C1=NN=N[N-]1	REAL300020162456	1	49	-1.0	-50.65	405.88	5.58	-45.07
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020162457	0	37	-1.0	-46.85	345.95	4.56	-42.29
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020162457	1	37	-1.0	-46.84	346.01	4.57	-42.27
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC(F)=CC=C2N1)C1=N[N-]N=N1	REAL300020162458	0	37	-1.0	-46.23	352.13	4.61	-41.62
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC(F)=CC=C2N1)C1=NN=N[N-]1	REAL300020162458	1	37	-1.0	-46.22	352.18	4.63	-41.59
CSCC[C@H](NC(=O)CN1CCCS1(=O)=O)C1=N[N-]N=N1	REAL300020162459	0	38	-1.0	-60.20	344.57	-0.44	-60.64
CSCC[C@H](NC(=O)CN1CCCS1(=O)=O)C1=NN=N[N-]1	REAL300020162459	1	38	-1.0	-60.25	344.63	-0.42	-60.67
CSCC[C@H](NC(=O)C(C)SCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162460	0	43	-1.0	-49.33	385.13	6.70	-42.63
CSCC[C@H](NC(=O)C(C)SCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162460	1	43	-1.0	-49.30	385.19	6.71	-42.59
CCCOC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162461	0	43	-1.0	-49.25	370.36	5.11	-44.14
CCCOC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162461	1	43	-1.0	-49.26	370.42	5.13	-44.13
CSCC[C@H](NC(=O)CC1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020162462	0	39	-1.0	-48.43	358.51	6.12	-42.31
CSCC[C@H](NC(=O)CC1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020162462	1	39	-1.0	-48.41	358.56	6.13	-42.28
CSCC[C@H](NC(=O)C1=CSC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020162463	0	32	-1.0	-47.60	318.86	3.84	-43.76
CSCC[C@H](NC(=O)C1=CSC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020162463	1	32	-1.0	-47.64	318.91	3.85	-43.79
CSCC[C@H](NC(=O)C1CCCC(C(F)(F)F)C1)C1=N[N-]N=N1	REAL300020162464	0	42	-1.0	-45.90	354.17	5.10	-40.80
CSCC[C@H](NC(=O)C1CCCC(C(F)(F)F)C1)C1=NN=N[N-]1	REAL300020162464	1	42	-1.0	-45.90	354.23	5.11	-40.79
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162465	0	36	-1.0	-42.29	331.77	4.86	-37.43
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162465	1	36	-1.0	-42.31	331.83	4.87	-37.44
CSCC[C@H](NC(=O)C1CC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300020162466	0	41	-1.0	-54.38	365.58	5.40	-48.98
CSCC[C@H](NC(=O)C1CC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300020162466	1	41	-1.0	-54.42	365.64	5.42	-49.00
CSCC[C@H](NC(=O)C1=CC2=C(C=CC=C2)C2=C1N=CC=C2)C1=NN=N[N-]1	REAL300020162467	0	44	-1.0	-57.64	380.31	7.09	-50.55
CSCC[C@H](NC(=O)C1=CC2=C(C=CC=C2)C2=C1N=CC=C2)C1=N[N-]N=N1	REAL300020162467	1	44	-1.0	-57.64	380.25	7.07	-50.57
CSCC[C@H](NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=NN=N[N-]1	REAL300020162468	0	40	-1.0	-45.74	375.29	5.77	-39.97
CSCC[C@H](NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=N[N-]N=N1	REAL300020162468	1	40	-1.0	-45.71	375.23	5.75	-39.96
CSCC[C@H](NC(=O)C(C)OC1=CC(C(C)C)=CC=C1C)C1=N[N-]N=N1	REAL300020162469	0	52	-1.0	-48.58	428.81	7.86	-40.72
CSCC[C@H](NC(=O)C(C)OC1=CC(C(C)C)=CC=C1C)C1=NN=N[N-]1	REAL300020162469	1	52	-1.0	-48.60	428.87	7.87	-40.73
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020162470	0	52	-1.0	-49.88	423.89	7.58	-42.30
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020162470	1	52	-1.0	-49.91	423.95	7.60	-42.31
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300020162471	0	52	-1.0	-49.20	426.01	7.69	-41.51
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300020162471	1	52	-1.0	-49.20	426.07	7.71	-41.49
CSCC[C@H](NC(=O)C=CC1=CC=C(OC(C)C)C=C1)C1=N[N-]N=N1	REAL300020162472	0	47	-1.0	-46.90	401.25	6.13	-40.77
CSCC[C@H](NC(=O)C=CC1=CC=C(OC(C)C)C=C1)C1=NN=N[N-]1	REAL300020162472	1	47	-1.0	-46.88	401.31	6.14	-40.74
CCCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162473	0	47	-1.0	-46.75	404.84	6.31	-40.44
CCCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162473	1	47	-1.0	-46.77	404.89	6.32	-40.45
CSCC[C@H](NC(=O)CNC(=O)CC(F)(F)F)C1=N[N-]N=N1	REAL300020162474	0	36	-1.0	-45.59	338.53	0.69	-44.90
CSCC[C@H](NC(=O)CNC(=O)CC(F)(F)F)C1=NN=N[N-]1	REAL300020162474	1	36	-1.0	-45.56	338.59	0.71	-44.85
CSCC[C@H](NC(=O)CN1N=C(C)C(Cl)=C1C)C1=N[N-]N=N1	REAL300020162475	0	39	-1.0	-52.42	361.06	3.71	-48.71
CSCC[C@H](NC(=O)CN1N=C(C)C(Cl)=C1C)C1=NN=N[N-]1	REAL300020162475	1	39	-1.0	-52.39	361.12	3.72	-48.67
COCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CC1=O	REAL300020162476	0	43	-1.0	-46.38	376.74	2.91	-43.47
COCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CC1=O	REAL300020162476	1	43	-1.0	-46.41	376.80	2.94	-43.47
CSCC[C@H](NC(=O)C1=CN(C)N=C1C(C)C)C1=N[N-]N=N1	REAL300020162477	0	42	-1.0	-49.68	362.13	3.74	-45.94
CSCC[C@H](NC(=O)C1=CN(C)N=C1C(C)C)C1=NN=N[N-]1	REAL300020162477	1	42	-1.0	-49.67	362.19	3.76	-45.91
CCC1=NC=NC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162478	0	37	-1.0	-42.56	322.72	3.46	-39.10
CCC1=NC=NC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162478	1	37	-1.0	-42.57	322.78	3.47	-39.10
CSCC[C@H](NC(=O)C1=CN=CN=C1C(C)C)C1=N[N-]N=N1	REAL300020162479	0	40	-1.0	-42.48	348.22	4.03	-38.45
CSCC[C@H](NC(=O)C1=CN=CN=C1C(C)C)C1=NN=N[N-]1	REAL300020162479	1	40	-1.0	-42.51	348.28	4.05	-38.46
CSCC[C@H](NC(=O)C1=C(C)N(C(C)(C)C)N=C1C)C1=N[N-]N=N1	REAL300020162480	0	48	-1.0	-46.54	397.80	4.60	-41.94
CSCC[C@H](NC(=O)C1=C(C)N(C(C)(C)C)N=C1C)C1=NN=N[N-]1	REAL300020162480	1	48	-1.0	-46.53	397.85	4.62	-41.91
CSCC[C@H](NC(=O)CCC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300020162481	0	36	-1.0	-44.64	350.82	5.27	-39.37
CSCC[C@H](NC(=O)CCC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300020162481	1	36	-1.0	-44.66	350.88	5.29	-39.37
CSCC[C@H](NC(=O)C1=CC=C(C)C(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020162482	0	42	-1.0	-57.33	369.66	2.23	-55.10
CSCC[C@H](NC(=O)C1=CC=C(C)C(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020162482	1	42	-1.0	-57.31	369.72	2.25	-55.06
CSCC[C@H](NC(=O)CNC(=O)CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020162483	0	43	-1.0	-45.59	387.54	3.33	-42.26
CSCC[C@H](NC(=O)CNC(=O)CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020162483	1	43	-1.0	-45.57	387.60	3.35	-42.22
CSCC[C@H](NC(=O)CCC1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020162484	0	48	-1.0	-45.21	403.78	7.50	-37.71
CSCC[C@H](NC(=O)CCC1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020162484	1	48	-1.0	-45.27	403.83	7.51	-37.76
CSCC[C@H](NC(=O)COC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020162485	0	40	-1.0	-47.71	369.79	5.64	-42.07
CSCC[C@H](NC(=O)COC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020162485	1	40	-1.0	-47.75	369.84	5.66	-42.09
CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020162486	0	39	-1.0	-44.24	346.56	1.76	-42.48
CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020162486	1	39	-1.0	-44.22	346.50	1.75	-42.47
CSCC[C@H](NC(=O)CCN1CCCS1(=O)=O)C1=N[N-]N=N1	REAL300020162487	0	41	-1.0	-53.21	365.81	0.10	-53.11
CSCC[C@H](NC(=O)CCN1CCCS1(=O)=O)C1=NN=N[N-]1	REAL300020162487	1	41	-1.0	-53.22	365.86	0.11	-53.11
CSCC[C@H](NC(=O)CC1=CSC(C2=NC=CC=N2)=N1)C1=N[N-]N=N1	REAL300020162488	0	40	-1.0	-57.26	377.54	3.07	-54.19
CSCC[C@H](NC(=O)CC1=CSC(C2=NC=CC=N2)=N1)C1=NN=N[N-]1	REAL300020162488	1	40	-1.0	-57.24	377.60	3.08	-54.16
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=NC=CC=N2)S1)C1=N[N-]N=N1	REAL300020162489	0	40	-1.0	-50.01	373.27	2.98	-47.03
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=NC=CC=N2)S1)C1=NN=N[N-]1	REAL300020162489	1	40	-1.0	-50.03	373.33	3.00	-47.03
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OC1CCCC1	REAL300020162490	0	51	-1.0	-47.85	420.72	6.18	-41.67
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OC1CCCC1	REAL300020162490	1	51	-1.0	-47.83	420.78	6.20	-41.63
CSCC[C@H](NC(=O)C(C)SC1=NN=CN1C)C1=NN=N[N-]1	REAL300020162491	0	39	-1.0	-48.71	356.68	5.18	-43.53
CSCC[C@H](NC(=O)C(C)SC1=NN=CN1C)C1=N[N-]N=N1	REAL300020162491	1	39	-1.0	-48.71	356.62	5.17	-43.54
CSCC[C@H](NC(=O)C(C)OC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300020162492	0	40	-1.0	-46.24	380.41	6.20	-40.04
CSCC[C@H](NC(=O)C(C)OC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300020162492	1	40	-1.0	-46.24	380.47	6.21	-40.03
COC1=CC=C(COCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162493	0	44	-1.0	-51.49	386.14	4.45	-47.04
COC1=CC=C(COCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162493	1	44	-1.0	-51.54	386.20	4.47	-47.07
CSCC[C@H](NC(=O)C1=CSC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL300020162494	0	39	-1.0	-51.38	369.52	2.68	-48.70
CSCC[C@H](NC(=O)C1=CSC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL300020162494	1	39	-1.0	-51.38	369.47	2.67	-48.71
CSCC[C@H](NC(=O)CN1C=C(Br)C=N1)C1=NN=N[N-]1	REAL300020162495	0	33	-1.0	-49.11	324.13	2.83	-46.28
CSCC[C@H](NC(=O)CN1C=C(Br)C=N1)C1=N[N-]N=N1	REAL300020162495	1	33	-1.0	-49.12	324.07	2.81	-46.31
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC(C2=CC=CC=C2)=C1	REAL300020162496	0	44	-1.0	-52.54	395.42	7.12	-45.42
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC(C2=CC=CC=C2)=C1	REAL300020162496	1	44	-1.0	-52.58	395.48	7.13	-45.45
CSCC[C@H](NC(=O)C(C)NC(=O)C1=COC=C1)C1=N[N-]N=N1	REAL300020162497	0	40	-1.0	-48.50	359.45	1.39	-47.11
CSCC[C@H](NC(=O)C(C)NC(=O)C1=COC=C1)C1=NN=N[N-]1	REAL300020162497	1	40	-1.0	-48.48	359.51	1.41	-47.07
CCCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)NC(C)=C1C(C)=O	REAL300020162498	0	48	-1.0	-48.50	412.53	5.20	-43.30
CCCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)NC(C)=C1C(C)=O	REAL300020162498	1	48	-1.0	-48.53	412.59	5.21	-43.32
CSCC[C@H](NC(=O)CCCC(=O)C1=C(C)C=C(C)C=C1C)C1=N[N-]N=N1	REAL300020162499	0	53	-1.0	-53.93	448.14	8.09	-45.84
CSCC[C@H](NC(=O)CCCC(=O)C1=C(C)C=C(C)C=C1C)C1=NN=N[N-]1	REAL300020162499	1	53	-1.0	-53.99	448.19	8.10	-45.89
CSCC[C@H](NC(=O)C1(C2=CC(C)=CC(C)=C2)CCC1)C1=N[N-]N=N1	REAL300020162500	0	49	-1.0	-49.18	407.97	7.64	-41.54
CSCC[C@H](NC(=O)C1(C2=CC(C)=CC(C)=C2)CCC1)C1=NN=N[N-]1	REAL300020162500	1	49	-1.0	-49.21	408.02	7.66	-41.55
CCN1C(=O)NC2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C2C1=O	REAL300020162501	0	45	-1.0	-45.62	393.45	3.62	-42.00
CCN1C(=O)NC2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C2C1=O	REAL300020162501	1	45	-1.0	-45.62	393.51	3.63	-41.99
CSCC[C@H](NC(=O)C1=CN(C)N=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020162502	0	36	-1.0	-53.03	338.73	2.86	-50.17
CSCC[C@H](NC(=O)C1=CN(C)N=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020162502	1	36	-1.0	-53.04	338.67	2.84	-50.20
CSCC[C@H](NC(=O)C(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020162503	0	42	-1.0	-56.17	384.41	2.89	-53.28
CSCC[C@H](NC(=O)C(C)S(=O)(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020162503	1	42	-1.0	-56.20	384.47	2.91	-53.29
CSCC[C@H](NC(=O)C1=C2NC(=O)C3=CC=CC=C3N2N=C1)C1=N[N-]N=N1	REAL300020162504	0	42	-1.0	-51.49	375.75	3.94	-47.55
CSCC[C@H](NC(=O)C1=C2NC(=O)C3=CC=CC=C3N2N=C1)C1=NN=N[N-]1	REAL300020162504	1	42	-1.0	-51.50	375.81	3.96	-47.54
CSCC[C@H](NC(=O)CCC1=C(C)N2N=CC=C2N=C1C)C1=N[N-]N=N1	REAL300020162505	0	47	-1.0	-47.49	399.95	5.37	-42.12
CSCC[C@H](NC(=O)CCC1=C(C)N2N=CC=C2N=C1C)C1=NN=N[N-]1	REAL300020162505	1	47	-1.0	-47.49	400.00	5.39	-42.10
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020162506	0	42	-1.0	-48.87	378.05	5.83	-43.04
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020162506	1	42	-1.0	-48.88	378.10	5.84	-43.04
CCOC1=CC=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NC2=C1	REAL300020162507	0	44	-1.0	-46.00	382.55	4.24	-41.76
CCOC1=CC=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NC2=C1	REAL300020162507	1	44	-1.0	-46.02	382.61	4.26	-41.76
CSCC[C@H](NC(=O)C(C)OC1=CC=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300020162508	0	43	-1.0	-47.73	383.97	6.33	-41.40
CSCC[C@H](NC(=O)C(C)OC1=CC=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300020162508	1	43	-1.0	-47.69	384.03	6.34	-41.35
CSCC[C@H](NC(=O)C1(C2=CC(C)=CC(C)=C2)CC1)C1=N[N-]N=N1	REAL300020162509	0	46	-1.0	-46.41	391.45	7.11	-39.30
CSCC[C@H](NC(=O)C1(C2=CC(C)=CC(C)=C2)CC1)C1=NN=N[N-]1	REAL300020162509	1	46	-1.0	-46.36	391.50	7.12	-39.24
CCC(=O)NC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162510	0	43	-1.0	-61.69	373.93	3.80	-57.89
CCC(=O)NC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162510	1	43	-1.0	-61.67	373.98	3.82	-57.85
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1NC(C)=O)C1=N[N-]N=N1	REAL300020162511	0	43	-1.0	-49.67	367.31	4.18	-45.49
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1NC(C)=O)C1=NN=N[N-]1	REAL300020162511	1	43	-1.0	-49.69	367.37	4.20	-45.49
CSCC[C@H](NC(=O)CCCOCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162512	0	49	-1.0	-48.39	420.58	6.41	-41.98
CSCC[C@H](NC(=O)CCCOCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162512	1	49	-1.0	-48.40	420.63	6.42	-41.98
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CSCC[C@H](NC(=O)C1=CC=CC2=C1OCO2)C1=N[N-]N=N1	REAL300020162516	0	36	-1.0	-52.23	322.89	3.36	-48.87
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CSCC[C@H](NC(=O)C(C)OC1=CC(C)=CC=C1Cl)C1=N[N-]N=N1	REAL300020162518	0	43	-1.0	-51.08	385.96	6.44	-44.64
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CSCC[C@H](NC(=O)C(C)OC1=CC=CC(C(C)C)=C1)C1=N[N-]N=N1	REAL300020162519	0	49	-1.0	-49.79	408.72	7.13	-42.66
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(C(C)C)=C1)C1=NN=N[N-]1	REAL300020162519	1	49	-1.0	-49.81	408.77	7.14	-42.67
CSCC[C@H](NC(=O)C1=C(Cl)N=CS1)C1=NN=N[N-]1	REAL300020162520	0	29	-1.0	-47.10	298.69	1.71	-45.39
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CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2C(C)=C1)C1=NN=N[N-]1	REAL300020162521	1	41	-1.0	-49.31	358.97	5.10	-44.21
CSCC[C@H](NC(=O)COC1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020162522	0	38	-1.0	-52.00	351.92	5.04	-46.96
CSCC[C@H](NC(=O)COC1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020162522	1	38	-1.0	-52.02	351.98	5.06	-46.96
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CSCC[C@H](NC(=O)C1=NOC(C2=CC=NC=C2)=C1)C1=N[N-]N=N1	REAL300020162524	0	38	-1.0	-44.62	351.40	3.38	-41.24
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CSCC[C@H](NC(=O)C1(NC(C)=O)CCCCC1)C1=N[N-]N=N1	REAL300020162525	0	46	-1.0	-59.46	373.54	3.23	-56.23
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CSCC[C@H](NC(=O)C1=CC=C(C2=CN=CO2)C=C1)C1=NN=N[N-]1	REAL300020162526	0	39	-1.0	-49.14	351.87	2.51	-46.63
CSCC[C@H](NC(=O)C1=CC=C(C2=CN=CO2)C=C1)C1=N[N-]N=N1	REAL300020162526	1	39	-1.0	-49.14	351.82	2.49	-46.65
CSCC[C@H](NC(=O)C1=CC=C(COC2=CC=CC=C2C#N)O1)C1=N[N-]N=N1	REAL300020162527	0	45	-1.0	-57.03	413.72	5.98	-51.05
CSCC[C@H](NC(=O)C1=CC=C(COC2=CC=CC=C2C#N)O1)C1=NN=N[N-]1	REAL300020162527	1	45	-1.0	-57.06	413.78	5.99	-51.07
CSCC[C@H](NC(=O)C1=C2N=CC=CN2N=C1C)C1=N[N-]N=N1	REAL300020162528	0	38	-1.0	-57.96	345.68	3.51	-54.45
CSCC[C@H](NC(=O)C1=C2N=CC=CN2N=C1C)C1=NN=N[N-]1	REAL300020162528	1	38	-1.0	-57.92	345.74	3.53	-54.39
CSCC[C@H](NC(=O)C1=CC=C(SC(C)C)C=C1)C1=N[N-]N=N1	REAL300020162529	0	43	-1.0	-45.46	375.32	6.49	-38.97
CSCC[C@H](NC(=O)C1=CC=C(SC(C)C)C=C1)C1=NN=N[N-]1	REAL300020162529	1	43	-1.0	-45.50	375.38	6.51	-38.99
CSCC[C@H](NC(=O)C1=CC=C(SCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020162530	0	47	-1.0	-46.98	418.95	8.99	-37.99
CSCC[C@H](NC(=O)C1=CC=C(SCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020162530	1	47	-1.0	-47.02	419.00	9.00	-38.02
CSCC[C@H](NC(=O)CSCC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020162531	0	39	-1.0	-51.81	361.57	4.29	-47.52
CSCC[C@H](NC(=O)CSCC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020162531	1	39	-1.0	-51.83	361.63	4.30	-47.53
CSCC[C@H](NC(=O)CSCC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020162532	0	39	-1.0	-49.34	361.46	4.37	-44.97
CSCC[C@H](NC(=O)CSCC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020162532	1	39	-1.0	-49.37	361.52	4.39	-44.98
CSCC[C@H](NC(=O)CN1N=C(C)C(Br)=C1C)C1=N[N-]N=N1	REAL300020162533	0	39	-1.0	-52.47	365.02	3.79	-48.68
CSCC[C@H](NC(=O)CN1N=C(C)C(Br)=C1C)C1=NN=N[N-]1	REAL300020162533	1	39	-1.0	-52.48	365.07	3.81	-48.67
CSCC[C@H](NC(=O)C1=CC=NC(N2C=CN=C2)=C1)C1=N[N-]N=N1	REAL300020162534	0	39	-1.0	-47.59	350.91	5.79	-41.80
CSCC[C@H](NC(=O)C1=CC=NC(N2C=CN=C2)=C1)C1=NN=N[N-]1	REAL300020162534	1	39	-1.0	-47.58	350.96	5.80	-41.78
CSCC[C@H](NC(=O)CCSCC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020162535	0	42	-1.0	-46.84	383.24	5.09	-41.75
CSCC[C@H](NC(=O)CCSCC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020162535	1	42	-1.0	-46.87	383.30	5.10	-41.77
CSCC[C@H](NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1N)C1=N[N-]N=N1	REAL300020162536	0	37	-1.0	-40.97	338.32	3.23	-37.74
CSCC[C@H](NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1N)C1=NN=N[N-]1	REAL300020162536	1	37	-1.0	-40.97	338.37	3.24	-37.73
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)C1=N[N-]N=N1	REAL300020162537	0	44	-1.0	-44.29	393.54	5.53	-38.76
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)C1=NN=N[N-]1	REAL300020162537	1	44	-1.0	-44.34	393.60	5.55	-38.79
COC1=CC=C(Cl)C=C1C=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162538	0	41	-1.0	-48.52	377.14	5.16	-43.36
COC1=CC=C(Cl)C=C1C=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162538	1	41	-1.0	-48.54	377.20	5.17	-43.37
CSCC[C@H](NC(=O)C1=CC2=CC=CC([N+](=O)[O-])=C2N1)C1=N[N-]N=N1	REAL300020162539	0	39	-1.0	-48.69	357.14	4.78	-43.91
CSCC[C@H](NC(=O)C1=CC2=CC=CC([N+](=O)[O-])=C2N1)C1=NN=N[N-]1	REAL300020162539	1	39	-1.0	-48.69	357.20	4.80	-43.89
CSCC[C@H](NC(=O)C1=NOC2=C1CCCC2)C1=N[N-]N=N1	REAL300020162540	0	39	-1.0	-46.82	338.03	4.06	-42.76
CSCC[C@H](NC(=O)C1=NOC2=C1CCCC2)C1=NN=N[N-]1	REAL300020162540	1	39	-1.0	-46.84	338.08	4.08	-42.76
COC1=CC=C(C(=O)CCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162541	0	48	-1.0	-57.36	414.57	5.49	-51.87
COC1=CC=C(C(=O)CCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162541	1	48	-1.0	-57.36	414.63	5.50	-51.86
CSCC[C@H](NC(=O)C(C)SC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020162542	0	40	-1.0	-49.95	372.37	6.16	-43.79
CSCC[C@H](NC(=O)C(C)SC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020162542	1	40	-1.0	-49.98	372.43	6.18	-43.80
CSCC[C@H](NC(=O)C1=C2N=C(C)C=C(C)N2N=C1C)C1=N[N-]N=N1	REAL300020162543	0	44	-1.0	-55.74	388.74	4.71	-51.03
CSCC[C@H](NC(=O)C1=C2N=C(C)C=C(C)N2N=C1C)C1=NN=N[N-]1	REAL300020162543	1	44	-1.0	-55.73	388.80	4.72	-51.01
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CCCCC1)C1=N[N-]N=N1	REAL300020162544	0	49	-1.0	-44.39	406.38	7.89	-36.50
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CCCCC1)C1=NN=N[N-]1	REAL300020162544	1	49	-1.0	-44.38	406.44	7.91	-36.47
CSCC[C@H](NC(=O)C(C)SC1=CC=C(NC(C)=O)C=C1)C1=N[N-]N=N1	REAL300020162545	0	47	-1.0	-53.44	420.58	4.83	-48.61
CSCC[C@H](NC(=O)C(C)SC1=CC=C(NC(C)=O)C=C1)C1=NN=N[N-]1	REAL300020162545	1	47	-1.0	-53.47	420.64	4.84	-48.63
COC1=CC=C(SC(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162546	0	44	-1.0	-46.42	393.92	5.23	-41.19
COC1=CC=C(SC(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162546	1	44	-1.0	-46.45	393.98	5.24	-41.21
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])N1)C1=N[N-]N=N1	REAL300020162547	0	33	-1.0	-41.82	315.08	3.51	-38.31
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])N1)C1=NN=N[N-]1	REAL300020162547	1	33	-1.0	-41.77	315.13	3.53	-38.24
CSCC[C@H](NC(=O)CCCOC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020162548	0	43	-1.0	-48.02	390.25	5.68	-42.34
CSCC[C@H](NC(=O)CCCOC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020162548	1	43	-1.0	-48.02	390.31	5.69	-42.33
CSCC[C@H](NC(=O)CCOC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020162549	0	40	-1.0	-42.98	384.78	5.45	-37.53
CSCC[C@H](NC(=O)CCOC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020162549	1	40	-1.0	-43.01	384.84	5.46	-37.55
CSCC[C@H](NC(=O)CC1=CC=C(C)N=C1)C1=N[N-]N=N1	REAL300020162550	0	38	-1.0	-47.64	338.61	3.59	-44.05
CSCC[C@H](NC(=O)CC1=CC=C(C)N=C1)C1=NN=N[N-]1	REAL300020162550	1	38	-1.0	-47.61	338.66	3.60	-44.01
CSCC[C@H](NC(=O)C1=CC=C(C)NC1=O)C1=N[N-]N=N1	REAL300020162551	0	36	-1.0	-57.97	321.24	1.89	-56.08
CSCC[C@H](NC(=O)C1=CC=C(C)NC1=O)C1=NN=N[N-]1	REAL300020162551	1	36	-1.0	-57.98	321.30	1.90	-56.08
CSCC[C@H](NC(=O)CC1CCCC(C(F)(F)F)C1)C1=N[N-]N=N1	REAL300020162552	0	45	-1.0	-44.43	379.37	5.95	-38.48
CSCC[C@H](NC(=O)CC1CCCC(C(F)(F)F)C1)C1=NN=N[N-]1	REAL300020162552	1	45	-1.0	-44.42	379.42	5.97	-38.45
CSCC[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C1=N[N-]N=N1	REAL300020162553	0	51	-1.0	-41.94	410.00	3.89	-38.05
CSCC[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C1=NN=N[N-]1	REAL300020162553	1	51	-1.0	-41.94	410.06	3.90	-38.04
CSCC[C@H](NC(=O)CC1=C(C)N(C2=CC=CC=N2)N=C1C)C1=NN=N[N-]1	REAL300020162554	0	48	-1.0	-54.48	415.60	6.57	-47.91
CSCC[C@H](NC(=O)CC1=C(C)N(C2=CC=CC=N2)N=C1C)C1=N[N-]N=N1	REAL300020162554	1	48	-1.0	-54.49	415.54	6.55	-47.94
CSCC[C@H](NC(=O)CCC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300020162555	0	39	-1.0	-47.40	359.76	6.01	-41.39
CSCC[C@H](NC(=O)CCC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300020162555	1	39	-1.0	-47.40	359.81	6.02	-41.38
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1Cl)C1=N[N-]N=N1	REAL300020162556	0	33	-1.0	-44.62	331.34	5.22	-39.40
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1Cl)C1=NN=N[N-]1	REAL300020162556	1	33	-1.0	-44.61	331.40	5.23	-39.38
CSCC[C@H](NC(=O)CC(C)CC(C)(C)C)C1=N[N-]N=N1	REAL300020162557	0	47	-1.0	-45.03	370.18	5.39	-39.64
CSCC[C@H](NC(=O)CC(C)CC(C)(C)C)C1=NN=N[N-]1	REAL300020162557	1	47	-1.0	-45.05	370.24	5.40	-39.65
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1C)C1=N[N-]N=N1	REAL300020162558	0	36	-1.0	-42.87	334.87	5.37	-37.50
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1C)C1=NN=N[N-]1	REAL300020162558	1	36	-1.0	-42.87	334.93	5.39	-37.48
CSCC[C@H](NC(=O)C1=CC(C(C)(C)C)=NN1C)C1=NN=N[N-]1	REAL300020162559	0	45	-1.0	-44.11	380.14	4.30	-39.81
CSCC[C@H](NC(=O)C1=CC(C(C)(C)C)=NN1C)C1=N[N-]N=N1	REAL300020162559	1	45	-1.0	-44.10	380.08	4.28	-39.82
CSCC[C@H](NC(=O)CCCC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300020162560	0	42	-1.0	-48.37	396.98	7.32	-41.05
CSCC[C@H](NC(=O)CCCC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300020162560	1	42	-1.0	-48.39	397.03	7.33	-41.06
CSCC[C@H](NC(=O)C(C)N1C=C(Br)C=N1)C1=NN=N[N-]1	REAL300020162561	0	36	-1.0	-45.78	342.64	3.31	-42.47
CSCC[C@H](NC(=O)C(C)N1C=C(Br)C=N1)C1=N[N-]N=N1	REAL300020162561	1	36	-1.0	-45.80	342.58	3.29	-42.51
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)NC(C)C)C=C1)C1=N[N-]N=N1	REAL300020162562	0	48	-1.0	-55.38	410.77	3.27	-52.11
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)NC(C)C)C=C1)C1=NN=N[N-]1	REAL300020162562	1	48	-1.0	-55.38	410.83	3.29	-52.09
CSCC[C@H](NC(=O)C1=CC(F)=CC2=NC(C)=C(C)N=C12)C1=N[N-]N=N1	REAL300020162563	0	43	-1.0	-51.11	376.76	4.13	-46.98
CSCC[C@H](NC(=O)C1=CC(F)=CC2=NC(C)=C(C)N=C12)C1=NN=N[N-]1	REAL300020162563	1	43	-1.0	-51.13	376.82	4.14	-46.99
CSCC[C@H](NC(=O)CN1N=C(C2=CC=CC=C2)C=CC1=O)C1=N[N-]N=N1	REAL300020162564	0	45	-1.0	-58.48	398.43	5.19	-53.29
CSCC[C@H](NC(=O)CN1N=C(C2=CC=CC=C2)C=CC1=O)C1=NN=N[N-]1	REAL300020162564	1	45	-1.0	-58.48	398.49	5.20	-53.28
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1NC(C)=O)C1=N[N-]N=N1	REAL300020162565	0	40	-1.0	-43.63	354.61	3.50	-40.13
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1NC(C)=O)C1=NN=N[N-]1	REAL300020162565	1	40	-1.0	-43.59	354.67	3.52	-40.07
COC1=CC=CC(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162566	0	41	-1.0	-52.05	360.57	3.95	-48.10
COC1=CC=CC(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162566	1	41	-1.0	-52.04	360.63	3.96	-48.08
CSCC[C@H](NC(=O)C1=CNC(C(=O)N2CCCC2)=C1)C1=N[N-]N=N1	REAL300020162567	0	45	-1.0	-59.09	383.68	3.43	-55.66
CSCC[C@H](NC(=O)C1=CNC(C(=O)N2CCCC2)=C1)C1=NN=N[N-]1	REAL300020162567	1	45	-1.0	-59.10	383.74	3.45	-55.65
CSCC[C@H](NC(=O)CCCNC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162568	0	50	-1.0	-48.90	437.05	4.27	-44.63
CSCC[C@H](NC(=O)CCCNC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162568	1	50	-1.0	-48.85	437.10	4.29	-44.56
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL300020162569	0	44	-1.0	-61.24	393.54	4.14	-57.10
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL300020162569	1	44	-1.0	-61.26	393.60	4.15	-57.11
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162570	0	55	0.0	-70.96	437.06	6.85	-64.11
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162570	1	55	0.0	-70.93	437.12	6.87	-64.06
COC(=O)C(C)SC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162571	0	46	-1.0	-56.18	404.94	6.51	-49.67
COC(=O)C(C)SC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162571	1	46	-1.0	-56.18	405.00	6.53	-49.65
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020162572	0	41	-1.0	-45.52	374.73	5.54	-39.98
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020162572	1	41	-1.0	-45.52	374.79	5.55	-39.97
CSCC[C@H](NC(=O)C1=CC(C)=NC2=CC(C)=NN21)C1=N[N-]N=N1	REAL300020162573	0	41	-1.0	-47.29	361.43	4.48	-42.81
CSCC[C@H](NC(=O)C1=CC(C)=NC2=CC(C)=NN21)C1=NN=N[N-]1	REAL300020162573	1	41	-1.0	-47.28	361.48	4.50	-42.78
CSCC[C@H](NC(=O)C(C)N1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL300020162574	0	36	-1.0	-45.94	338.01	3.20	-42.74
CSCC[C@H](NC(=O)C(C)N1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL300020162574	1	36	-1.0	-45.92	337.96	3.19	-42.73
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(C)C)C1=N[N-]N=N1	REAL300020162575	0	43	-1.0	-49.85	370.97	6.49	-43.36
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(C)C)C1=NN=N[N-]1	REAL300020162575	1	43	-1.0	-49.87	371.03	6.50	-43.37
CSCC[C@H](NC(=O)C1=C2N=CNC2=CC(F)=C1)C1=N[N-]N=N1	REAL300020162576	0	36	-1.0	-55.15	329.11	3.96	-51.19
CSCC[C@H](NC(=O)C1=C2N=CNC2=CC(F)=C1)C1=NN=N[N-]1	REAL300020162576	1	36	-1.0	-55.16	329.17	3.98	-51.18
CSCC[C@H](NC(=O)C1=C2NC=NC2=CC(F)=C1)C1=N[N-]N=N1	REAL300020162576	1	36	-1.0	-44.34	327.64	3.96	-40.38
CSCC[C@H](NC(=O)C1=C2NC=NC2=CC(F)=C1)C1=NN=N[N-]1	REAL300020162576	1	36	-1.0	-44.36	327.70	3.97	-40.39
CCC1=NOC(CCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020162577	0	43	-1.0	-52.00	378.11	2.54	-49.46
CCC1=NOC(CCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020162577	1	43	-1.0	-52.00	378.17	2.56	-49.44
CCCC1=NOC(CCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020162578	0	46	-1.0	-51.88	399.61	3.31	-48.57
CCCC1=NOC(CCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020162578	1	46	-1.0	-51.90	399.67	3.33	-48.57
CCCCC1=CC=C(C(=O)CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162579	0	53	-1.0	-44.90	449.67	8.39	-36.51
CCCCC1=CC=C(C(=O)CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162579	1	53	-1.0	-44.87	449.72	8.41	-36.46
CCCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)NC(C)=C1C(=O)OC	REAL300020162580	0	49	-1.0	-48.58	423.36	5.35	-43.23
CCCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)NC(C)=C1C(=O)OC	REAL300020162580	1	49	-1.0	-48.60	423.42	5.36	-43.24
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)NC(C)=C1C(C)=O	REAL300020162581	0	45	-1.0	-48.58	391.12	4.43	-44.15
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)NC(C)=C1C(C)=O	REAL300020162581	1	45	-1.0	-48.61	391.18	4.45	-44.16
CSCC[C@H](NC(=O)C1=CC2=C(N=C(N(C)C)S2)S1)C1=NN=N[N-]1	REAL300020162582	0	40	-1.0	-47.89	379.21	4.50	-43.39
CSCC[C@H](NC(=O)C1=CC2=C(N=C(N(C)C)S2)S1)C1=N[N-]N=N1	REAL300020162582	1	40	-1.0	-47.91	379.15	4.48	-43.43
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)N=N1)C1=N[N-]N=N1	REAL300020162583	0	45	-1.0	-46.59	392.82	4.92	-41.67
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC(C)=C2)N=N1)C1=NN=N[N-]1	REAL300020162583	1	45	-1.0	-46.57	392.88	4.93	-41.64
CSCC[C@H](NC(=O)CCN1C=C(Br)C=N1)C1=NN=N[N-]1	REAL300020162584	0	36	-1.0	-44.88	346.30	3.36	-41.52
CSCC[C@H](NC(=O)CCN1C=C(Br)C=N1)C1=N[N-]N=N1	REAL300020162584	1	36	-1.0	-44.90	346.24	3.35	-41.55
CSCC[C@H](NC(=O)CN1C=C(C(N)=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162585	0	44	-1.0	-58.77	390.81	2.95	-55.82
CSCC[C@H](NC(=O)CN1C=C(C(N)=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162585	1	44	-1.0	-58.74	390.86	2.96	-55.78
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300020162586	0	35	-1.0	-46.48	330.25	4.82	-41.66
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300020162586	1	35	-1.0	-46.48	330.31	4.84	-41.64
CSCC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C1=N[N-]N=N1	REAL300020162587	0	43	-1.0	-56.20	366.58	-0.58	-56.78
CSCC[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C1=NN=N[N-]1	REAL300020162587	1	43	-1.0	-56.27	366.64	-0.57	-56.84
CSCC[C@H](NC(=O)C1=CN=C2NC=CC=C12)C1=NN=N[N-]1	REAL300020162588	0	36	-1.0	-64.05	322.59	3.45	-60.60
CSCC[C@H](NC(=O)C1=CN=C2NC=CC=C12)C1=N[N-]N=N1	REAL300020162588	1	36	-1.0	-64.06	322.54	3.43	-60.63
CSCC[C@H](NC(=O)C1(C2=CC=CC(C)=C2)CCCCC1)C1=N[N-]N=N1	REAL300020162589	0	52	-1.0	-45.68	411.06	8.04	-37.64
CSCC[C@H](NC(=O)C1(C2=CC=CC(C)=C2)CCCCC1)C1=NN=N[N-]1	REAL300020162589	1	52	-1.0	-45.64	411.11	8.05	-37.59
CSCC[C@H](NC(=O)CCCS(=O)(=O)N1CCCC1)C1=N[N-]N=N1	REAL300020162590	0	47	-1.0	-56.84	407.86	1.75	-55.09
CSCC[C@H](NC(=O)CCCS(=O)(=O)N1CCCC1)C1=NN=N[N-]1	REAL300020162590	1	47	-1.0	-56.85	407.92	1.77	-55.08
CSCC[C@H](NC(=O)CN(C)C(=O)C(C)N1C=CC=N1)C1=NN=N[N-]1	REAL300020162591	0	46	-1.0	-65.84	394.20	3.21	-62.63
CSCC[C@H](NC(=O)CN(C)C(=O)C(C)N1C=CC=N1)C1=N[N-]N=N1	REAL300020162591	1	46	-1.0	-65.84	394.14	3.20	-62.64
CSCC[C@H](NC(=O)C=C(C1CC1)C1CC1)C1=N[N-]N=N1	REAL300020162592	0	41	-1.0	-45.97	347.64	5.82	-40.15
CSCC[C@H](NC(=O)C=C(C1CC1)C1CC1)C1=NN=N[N-]1	REAL300020162592	1	41	-1.0	-45.97	347.70	5.84	-40.13
CSCC[C@H](NC(=O)CCN1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL300020162593	0	36	-1.0	-44.94	341.68	3.26	-41.68
CSCC[C@H](NC(=O)CCN1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL300020162593	1	36	-1.0	-44.98	341.62	3.25	-41.73
CSCC[C@H](NC(=O)C1=C(N2C(C)=CC=C2C)C=CS1)C1=N[N-]N=N1	REAL300020162594	0	44	-1.0	-50.79	396.24	7.45	-43.34
CSCC[C@H](NC(=O)C1=C(N2C(C)=CC=C2C)C=CS1)C1=NN=N[N-]1	REAL300020162594	1	44	-1.0	-50.73	396.30	7.47	-43.26
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020162595	0	41	-1.0	-43.26	365.96	4.42	-38.84
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020162595	1	41	-1.0	-43.28	366.02	4.44	-38.84
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162596	0	46	-2.0	-105.97	408.31	2.85	-103.12
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162596	1	46	-2.0	-105.94	408.36	2.86	-103.08
CCC(=O)NC(CCSC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162597	0	46	-1.0	-44.11	399.08	2.99	-41.12
CCC(=O)NC(CCSC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162597	1	46	-1.0	-44.11	399.13	3.00	-41.11
CSCC[C@H](NC(=O)C1=CC=C(N2N=CC(C#N)=C2N)C=C1)C1=NN=N[N-]1	REAL300020162598	0	43	-1.0	-48.64	389.41	4.70	-43.94
CSCC[C@H](NC(=O)C1=CC=C(N2N=CC(C#N)=C2N)C=C1)C1=N[N-]N=N1	REAL300020162598	1	43	-1.0	-48.64	389.35	4.69	-43.95
CSCC[C@H](NC(=O)CC1=CC=C(F)C(Br)=C1)C1=N[N-]N=N1	REAL300020162599	0	36	-1.0	-47.77	349.17	5.42	-42.35
CSCC[C@H](NC(=O)CC1=CC=C(F)C(Br)=C1)C1=NN=N[N-]1	REAL300020162599	1	36	-1.0	-47.80	349.23	5.43	-42.37
CSCC[C@H](NC(=O)C1=CN=C(OC(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020162600	0	42	-1.0	-43.60	382.74	3.23	-40.37
CSCC[C@H](NC(=O)C1=CN=C(OC(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020162600	1	42	-1.0	-43.56	382.68	3.22	-40.34
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020162601	0	42	-1.0	-46.92	369.52	6.21	-40.71
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020162601	1	42	-1.0	-46.94	369.57	6.23	-40.71
CSCC[C@H](NC(=O)C=C(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162602	0	40	-1.0	-44.78	352.06	6.08	-38.70
CSCC[C@H](NC(=O)C=C(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162602	1	40	-1.0	-44.74	352.11	6.09	-38.65
CSCC[C@H](NC(=O)CCC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020162603	0	45	-1.0	-46.48	389.67	7.82	-38.66
CSCC[C@H](NC(=O)CCC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020162603	1	45	-1.0	-46.45	389.73	7.84	-38.61
CSCC[C@H](NC(=O)C1=CC(F)=CC2=C1NC(=S)N2)C1=N[N-]N=N1	REAL300020162604	0	37	-1.0	-50.04	349.58	3.99	-46.05
CSCC[C@H](NC(=O)C1=CC(F)=CC2=C1NC(=S)N2)C1=NN=N[N-]1	REAL300020162604	1	37	-1.0	-50.02	349.63	4.01	-46.01
CSCC[C@H](NC(=O)C1CCCCN1C(C)=O)C1=N[N-]N=N1	REAL300020162605	0	43	-1.0	-60.26	354.21	4.35	-55.91
CSCC[C@H](NC(=O)C1CCCCN1C(C)=O)C1=NN=N[N-]1	REAL300020162605	1	43	-1.0	-60.25	354.26	4.37	-55.88
CSCC[C@H](NC(=O)CNC(=O)NC1CCCCC1)C1=N[N-]N=N1	REAL300020162606	0	48	-1.0	-45.17	399.42	1.67	-43.50
CSCC[C@H](NC(=O)CNC(=O)NC1CCCCC1)C1=NN=N[N-]1	REAL300020162606	1	48	-1.0	-45.23	399.48	1.68	-43.55
CSCC[C@H](NC(=O)C1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162607	0	38	-1.0	-49.85	334.31	4.61	-45.24
CSCC[C@H](NC(=O)C1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162607	1	38	-1.0	-49.88	334.25	4.60	-45.28
CSCC[C@H](NC(=O)CCC(=O)N1CCC2=C(C=CS2)C1)C1=N[N-]N=N1	REAL300020162608	0	47	-1.0	-45.26	410.11	5.39	-39.87
CSCC[C@H](NC(=O)CCC(=O)N1CCC2=C(C=CS2)C1)C1=NN=N[N-]1	REAL300020162608	1	47	-1.0	-45.26	410.17	5.40	-39.86
CSCC[C@H](NC(=O)CS(=O)(=O)C(C)C)C1=N[N-]N=N1	REAL300020162609	0	38	-1.0	-61.19	342.19	0.25	-60.94
CSCC[C@H](NC(=O)CS(=O)(=O)C(C)C)C1=NN=N[N-]1	REAL300020162609	1	38	-1.0	-61.17	342.25	0.27	-60.90
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=C1)C1=NN=N[N-]1	REAL300020162610	0	40	-1.0	-46.92	375.29	5.77	-41.15
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=C1)C1=N[N-]N=N1	REAL300020162610	1	40	-1.0	-46.88	375.23	5.75	-41.13
CCCC(C)N1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1=O	REAL300020162611	0	49	-1.0	-56.63	400.44	5.08	-51.55
CCCC(C)N1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1=O	REAL300020162611	1	49	-1.0	-56.68	400.49	5.10	-51.58
CSCC[C@H](NC(=O)C1=CC(Cl)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020162612	0	38	-1.0	-53.51	353.37	5.42	-48.09
CSCC[C@H](NC(=O)C1=CC(Cl)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020162612	1	38	-1.0	-53.51	353.31	5.40	-48.11
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(C)C=C2)N=N1)C1=N[N-]N=N1	REAL300020162613	0	45	-1.0	-46.28	392.81	4.93	-41.35
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(C)C=C2)N=N1)C1=NN=N[N-]1	REAL300020162613	1	45	-1.0	-46.26	392.87	4.94	-41.32
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)N=N1)C1=N[N-]N=N1	REAL300020162614	0	42	-1.0	-45.89	388.14	4.77	-41.12
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC(Cl)=C2)N=N1)C1=NN=N[N-]1	REAL300020162614	1	42	-1.0	-45.88	388.20	4.79	-41.09
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300020162615	0	42	-1.0	-46.68	371.42	4.25	-42.43
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300020162615	1	42	-1.0	-46.72	371.47	4.27	-42.45
CSCC[C@H](NC(=O)C1CCCCN1C(=O)C(C)C)C1=N[N-]N=N1	REAL300020162616	0	49	-1.0	-55.72	390.83	5.48	-50.24
CSCC[C@H](NC(=O)C1CCCCN1C(=O)C(C)C)C1=NN=N[N-]1	REAL300020162616	1	49	-1.0	-55.69	390.88	5.50	-50.19
CSCC[C@H](NC(=O)C1=CC=CN=C1SC1CCCC1)C1=NN=N[N-]1	REAL300020162617	0	46	-1.0	-49.63	393.57	6.63	-43.00
CSCC[C@H](NC(=O)C1=CC=CN=C1SC1CCCC1)C1=N[N-]N=N1	REAL300020162617	1	46	-1.0	-49.63	393.51	6.62	-43.01
CCCC(=O)N1CCCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020162618	0	49	-1.0	-51.51	400.32	4.67	-46.84
CCCC(=O)N1CCCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020162618	1	49	-1.0	-51.52	400.38	4.69	-46.83
CSCC[C@H](NC(=O)C1=CNC=C1C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300020162619	0	38	-1.0	-52.86	368.86	5.34	-47.52
CSCC[C@H](NC(=O)C1=CNC=C1C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300020162619	1	38	-1.0	-52.85	368.92	5.36	-47.49
CSCC[C@H](NC(=O)C1=CC(F)=CC2=NC=CN=C12)C1=NN=N[N-]1	REAL300020162620	0	37	-1.0	-50.10	338.02	3.04	-47.06
CSCC[C@H](NC(=O)C1=CC(F)=CC2=NC=CN=C12)C1=N[N-]N=N1	REAL300020162620	1	37	-1.0	-50.14	337.96	3.03	-47.11
CCOC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162621	0	40	-1.0	-49.56	348.87	4.31	-45.25
CCOC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162621	1	40	-1.0	-49.58	348.92	4.33	-45.25
CSCC[C@H](NC(=O)CCC1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020162622	0	39	-1.0	-47.13	346.43	3.37	-43.76
CSCC[C@H](NC(=O)CCC1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020162622	1	39	-1.0	-47.16	346.37	3.35	-43.81
CSCC[C@H](NC(=O)C1=C(Br)C(C)=NN1)C1=N[N-]N=N1	REAL300020162623	0	33	-1.0	-43.36	319.96	1.76	-41.60
CSCC[C@H](NC(=O)C1=C(Br)C(C)=NN1)C1=NN=N[N-]1	REAL300020162623	1	33	-1.0	-43.37	320.02	1.77	-41.60
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)NC2CC2)=C1)C1=N[N-]N=N1	REAL300020162624	0	46	-1.0	-62.24	400.08	3.36	-58.88
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)NC2CC2)=C1)C1=NN=N[N-]1	REAL300020162624	1	46	-1.0	-62.25	400.14	3.37	-58.88
CCS(=O)(=O)N1CCCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020162625	0	47	-1.0	-47.86	399.09	1.65	-46.21
CCS(=O)(=O)N1CCCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020162625	1	47	-1.0	-47.89	399.14	1.66	-46.23
CSCC[C@H](NC(=O)CN(C)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020162626	0	43	-1.0	-56.56	389.68	5.85	-50.71
CSCC[C@H](NC(=O)CN(C)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020162626	1	43	-1.0	-56.53	389.62	5.84	-50.69
CSCC[C@H](NC(=O)C1=CC=C(N2CCNC2=O)C(C)=C1)C1=N[N-]N=N1	REAL300020162627	0	46	-1.0	-55.79	396.31	4.00	-51.79
CSCC[C@H](NC(=O)C1=CC=C(N2CCNC2=O)C(C)=C1)C1=NN=N[N-]1	REAL300020162627	1	46	-1.0	-55.84	396.37	4.02	-51.82
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CCOCC1)C1=N[N-]N=N1	REAL300020162628	0	47	-1.0	-47.64	398.64	5.51	-42.13
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CCOCC1)C1=NN=N[N-]1	REAL300020162628	1	47	-1.0	-47.64	398.70	5.52	-42.12
CSCC[C@H](NC(=O)CC1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020162629	0	39	-1.0	-50.45	350.04	5.29	-45.16
CSCC[C@H](NC(=O)CC1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020162629	1	39	-1.0	-50.46	350.10	5.31	-45.15
CSCC[C@H](NC(=O)CSC1=NN=CS1)C1=NN=N[N-]1	REAL300020162630	0	32	-1.0	-46.01	323.91	1.54	-44.47
CSCC[C@H](NC(=O)CSC1=NN=CS1)C1=N[N-]N=N1	REAL300020162630	1	32	-1.0	-46.02	323.86	1.52	-44.50
CSCC[C@H](NC(=O)C=CC1=CC2=CC=CN=C2C=C1)C1=N[N-]N=N1	REAL300020162631	0	42	-1.0	-49.01	373.22	5.63	-43.38
CSCC[C@H](NC(=O)C=CC1=CC2=CC=CN=C2C=C1)C1=NN=N[N-]1	REAL300020162631	1	42	-1.0	-48.99	373.27	5.65	-43.34
CCC1=NOC2=NC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C12	REAL300020162632	0	40	-1.0	-43.52	357.45	2.26	-41.26
CCC1=NOC2=NC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C12	REAL300020162632	1	40	-1.0	-43.54	357.51	2.28	-41.26
CSCC[C@H](NC(=O)C1=C(C)C2=CC(F)=CC=C2S1)C1=N[N-]N=N1	REAL300020162633	0	39	-1.0	-44.27	357.65	6.18	-38.09
CSCC[C@H](NC(=O)C1=C(C)C2=CC(F)=CC=C2S1)C1=NN=N[N-]1	REAL300020162633	1	39	-1.0	-44.24	357.71	6.20	-38.04
CSCC[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1=N[N-]N=N1	REAL300020162634	0	45	-1.0	-43.12	374.31	2.16	-40.96
CSCC[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1=NN=N[N-]1	REAL300020162634	1	45	-1.0	-43.07	374.37	2.17	-40.90
CSCC[C@H](NC(=O)CSCC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020162635	0	39	-1.0	-50.49	361.42	4.35	-46.14
CSCC[C@H](NC(=O)CSCC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020162635	1	39	-1.0	-50.52	361.47	4.36	-46.16
CSCC[C@H](NC(=O)CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020162636	0	39	-1.0	-51.35	348.22	3.42	-47.93
CSCC[C@H](NC(=O)CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020162636	1	39	-1.0	-51.34	348.28	3.44	-47.90
CSCC[C@H](NC(=O)C1=C(C(C)C)C=CS1)C1=N[N-]N=N1	REAL300020162637	0	39	-1.0	-45.92	346.30	5.04	-40.88
CSCC[C@H](NC(=O)C1=C(C(C)C)C=CS1)C1=NN=N[N-]1	REAL300020162637	1	39	-1.0	-45.97	346.35	5.06	-40.91
COC1=CC=CC(C(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162638	0	43	-1.0	-47.73	367.58	4.60	-43.13
COC1=CC=CC(C(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162638	1	43	-1.0	-47.74	367.64	4.62	-43.12
CCSCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162639	0	43	-1.0	-47.93	385.12	6.85	-41.08
CCSCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162639	1	43	-1.0	-47.94	385.17	6.87	-41.07
COC(=O)COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162640	0	43	-1.0	-57.11	383.37	5.01	-52.10
COC(=O)COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162640	1	43	-1.0	-57.09	383.43	5.03	-52.06
COC(=O)COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162641	0	43	-1.0	-50.55	383.30	5.02	-45.53
COC(=O)COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162641	1	43	-1.0	-50.58	383.35	5.04	-45.54
CSCC[C@H](NC(=O)C1=CC2=C(C=CS2)S1)C1=N[N-]N=N1	REAL300020162642	0	33	-1.0	-45.82	326.81	4.58	-41.24
CSCC[C@H](NC(=O)C1=CC2=C(C=CS2)S1)C1=NN=N[N-]1	REAL300020162642	1	33	-1.0	-45.85	326.86	4.60	-41.25
COC1=CC=C2C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC(=O)OC2=C1	REAL300020162643	0	45	-1.0	-56.53	396.30	5.45	-51.08
COC1=CC=C2C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC(=O)OC2=C1	REAL300020162643	1	45	-1.0	-56.54	396.36	5.47	-51.07
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C(C)=NN1C)C1=N[N-]N=N1	REAL300020162644	0	38	-1.0	-52.07	355.74	3.04	-49.03
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C(C)=NN1C)C1=NN=N[N-]1	REAL300020162644	1	38	-1.0	-52.10	355.80	3.05	-49.05
CSCC[C@H](NC(=O)C1=C2C=CC=CN2C(SC)=N1)C1=NN=N[N-]1	REAL300020162645	0	40	-1.0	-53.33	368.60	5.62	-47.71
CSCC[C@H](NC(=O)C1=C2C=CC=CN2C(SC)=N1)C1=N[N-]N=N1	REAL300020162645	1	40	-1.0	-53.34	368.54	5.61	-47.73
CSCC[C@H](NC(=O)CCNC(=O)OCC(F)(F)F)C1=N[N-]N=N1	REAL300020162646	0	40	-1.0	-49.73	375.23	0.87	-48.86
CSCC[C@H](NC(=O)CCNC(=O)OCC(F)(F)F)C1=NN=N[N-]1	REAL300020162646	1	40	-1.0	-49.74	375.28	0.89	-48.85
CSCC[C@H](NC(=O)CCCOC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020162647	0	43	-1.0	-52.84	379.75	5.23	-47.61
CSCC[C@H](NC(=O)CCCOC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020162647	1	43	-1.0	-52.86	379.81	5.24	-47.62
CSCC[C@H](NC(=O)C1=CC=C(NC2CC2)N=C1)C1=N[N-]N=N1	REAL300020162648	0	41	-1.0	-46.25	358.10	3.61	-42.64
CSCC[C@H](NC(=O)C1=CC=C(NC2CC2)N=C1)C1=NN=N[N-]1	REAL300020162648	1	41	-1.0	-46.25	358.15	3.63	-42.62
CSCC[C@H](NC(=O)CCSC1=NN=NN1C)C1=NN=N[N-]1	REAL300020162649	0	38	-1.0	-53.58	357.11	2.17	-51.41
CSCC[C@H](NC(=O)CCSC1=NN=NN1C)C1=N[N-]N=N1	REAL300020162649	1	38	-1.0	-53.55	357.05	2.16	-51.39
CCCCSC(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162650	0	42	-1.0	-47.94	368.22	5.23	-42.71
CCCCSC(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162650	1	42	-1.0	-47.93	368.28	5.25	-42.68
CSCC[C@H](NC(=O)CCOCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162651	0	43	-1.0	-45.30	377.58	4.86	-40.44
CSCC[C@H](NC(=O)CCOCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162651	1	43	-1.0	-45.31	377.64	4.88	-40.43
CSCC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1=N[N-]N=N1	REAL300020162652	0	40	-1.0	-47.13	359.49	-2.03	-49.16
CSCC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1=NN=N[N-]1	REAL300020162652	1	40	-1.0	-47.10	359.55	-2.02	-49.12
CCNC(=O)NC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCC1	REAL300020162653	0	48	-1.0	-61.42	394.78	1.46	-59.96
CCNC(=O)NC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCC1	REAL300020162653	1	48	-1.0	-61.39	394.84	1.48	-59.91
CSCC[C@H](NC(=O)C(OC1=CC=CC=C1C#N)C(C)C)C1=N[N-]N=N1	REAL300020162654	0	47	-1.0	-60.54	400.89	6.79	-53.75
CSCC[C@H](NC(=O)C(OC1=CC=CC=C1C#N)C(C)C)C1=NN=N[N-]1	REAL300020162654	1	47	-1.0	-60.50	400.95	6.80	-53.70
CSCC[C@H](NC(=O)C(C)SC1=NN=NN1C1CC1)C1=NN=N[N-]1	REAL300020162655	0	42	-1.0	-44.83	384.18	3.69	-41.14
CSCC[C@H](NC(=O)C(C)SC1=NN=NN1C1CC1)C1=N[N-]N=N1	REAL300020162655	1	42	-1.0	-44.85	384.12	3.68	-41.17
CCCOC1=CC=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162656	0	43	-1.0	-48.94	384.93	6.86	-42.08
CCCOC1=CC=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162656	1	43	-1.0	-48.93	384.99	6.87	-42.06
C=CC(=O)NCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162657	0	44	-1.0	-49.26	391.86	3.63	-45.63
C=CC(=O)NCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162657	1	44	-1.0	-49.25	391.92	3.64	-45.61
COC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1OC	REAL300020162658	0	51	-1.0	-47.11	435.77	4.76	-42.35
COC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1OC	REAL300020162658	1	51	-1.0	-47.11	435.83	4.77	-42.34
CSCC[C@H](NC(=O)CN1C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162659	0	40	-1.0	-51.55	355.32	6.24	-45.31
CSCC[C@H](NC(=O)CN1C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162659	1	40	-1.0	-51.56	355.38	6.25	-45.31
CSCC[C@H](NC(=O)C1CCN(C2=CC=C(Cl)C=C2)C1=O)C1=N[N-]N=N1	REAL300020162660	0	44	-1.0	-54.41	391.56	5.71	-48.70
CSCC[C@H](NC(=O)C1CCN(C2=CC=C(Cl)C=C2)C1=O)C1=NN=N[N-]1	REAL300020162660	1	44	-1.0	-54.42	391.62	5.72	-48.70
CSCC[C@H](NC(=O)C1=CC=NC(OCC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020162661	0	46	-1.0	-48.20	406.73	4.81	-43.39
CSCC[C@H](NC(=O)C1=CC=NC(OCC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020162661	1	46	-1.0	-48.24	406.68	4.80	-43.44
CSCC[C@H](NC(=O)CCCOC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020162662	0	43	-1.0	-50.11	379.94	5.22	-44.89
CSCC[C@H](NC(=O)CCCOC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020162662	1	43	-1.0	-50.09	380.00	5.24	-44.85
CCN1C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020162663	0	43	-1.0	-46.07	370.60	6.53	-39.54
CCN1C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020162663	1	43	-1.0	-46.10	370.66	6.54	-39.56
CSCC[C@H](NC(=O)C(C)NC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL300020162664	0	49	-1.0	-42.28	401.85	3.67	-38.61
CSCC[C@H](NC(=O)C(C)NC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL300020162664	1	49	-1.0	-42.25	401.91	3.69	-38.56
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC=C2O1)C1=N[N-]N=N1	REAL300020162665	0	39	-1.0	-45.52	350.13	5.16	-40.36
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC=C2O1)C1=NN=N[N-]1	REAL300020162665	1	39	-1.0	-45.50	350.19	5.18	-40.32
CSCC[C@H](NC(=O)C1CCCCN1C(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL300020162666	0	47	-1.0	-63.89	390.41	5.40	-58.49
CSCC[C@H](NC(=O)C1CCCCN1C(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL300020162666	1	47	-1.0	-63.87	390.46	5.42	-58.45
CCCCCCOC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162667	0	55	-1.0	-47.85	459.51	8.13	-39.72
CCCCCCOC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162667	1	55	-1.0	-47.85	459.56	8.14	-39.71
CSCC[C@H](NC(=O)C1=CC=CN1CC1=CC=CS1)C1=N[N-]N=N1	REAL300020162668	0	41	-1.0	-49.68	372.17	6.42	-43.26
CSCC[C@H](NC(=O)C1=CC=CN1CC1=CC=CS1)C1=NN=N[N-]1	REAL300020162668	1	41	-1.0	-49.64	372.22	6.45	-43.19
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1)C1=NN=N[N-]1	REAL300020162669	0	40	-1.0	-51.00	375.70	5.77	-45.23
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1)C1=N[N-]N=N1	REAL300020162669	1	40	-1.0	-51.01	375.64	5.75	-45.26
CSCC[C@H](NC(=O)CCN1C=C(C)C=N1)C1=NN=N[N-]1	REAL300020162670	0	39	-1.0	-46.60	346.48	3.43	-43.17
CSCC[C@H](NC(=O)CCN1C=C(C)C=N1)C1=N[N-]N=N1	REAL300020162670	1	39	-1.0	-46.56	346.42	3.41	-43.15
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL300020162671	0	40	-1.0	-45.71	348.85	5.65	-40.06
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL300020162671	1	40	-1.0	-45.68	348.79	5.63	-40.05
CSCC[C@H](NC(=O)CCC1=CC=C(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020162672	0	47	-1.0	-46.62	406.37	6.87	-39.75
CSCC[C@H](NC(=O)CCC1=CC=C(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020162672	1	47	-1.0	-46.61	406.42	6.89	-39.72
CCOCCOC(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162673	0	43	-1.0	-51.93	371.99	3.02	-48.91
CCOCCOC(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162673	1	43	-1.0	-51.92	372.05	3.03	-48.89
CSCC[C@H](NC(=O)C(C)OCC(C)C)C1=N[N-]N=N1	REAL300020162674	0	42	-1.0	-48.71	358.11	4.28	-44.43
CSCC[C@H](NC(=O)C(C)OCC(C)C)C1=NN=N[N-]1	REAL300020162674	1	42	-1.0	-48.74	358.17	4.29	-44.45
CSCC[C@H](NC(=O)CC(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020162675	0	42	-1.0	-44.17	363.40	6.08	-38.09
CSCC[C@H](NC(=O)CC(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020162675	1	42	-1.0	-44.13	363.46	6.10	-38.03
CSCC[C@H](NC(=O)C1=CC=C(N2C(C)=CNC2=O)C=C1)C1=N[N-]N=N1	REAL300020162676	0	44	-1.0	-52.91	389.73	4.93	-47.98
CSCC[C@H](NC(=O)C1=CC=C(N2C(C)=CNC2=O)C=C1)C1=NN=N[N-]1	REAL300020162676	1	44	-1.0	-52.94	389.79	4.95	-47.99
CSCC[C@H](NC(=O)CNC(=O)NCC1=CC=CO1)C1=N[N-]N=N1	REAL300020162677	0	42	-1.0	-45.82	377.82	0.08	-45.74
CSCC[C@H](NC(=O)CNC(=O)NCC1=CC=CO1)C1=NN=N[N-]1	REAL300020162677	1	42	-1.0	-45.83	377.88	0.10	-45.73
CCCC(=O)N1CCCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162678	0	46	-1.0	-62.60	384.67	5.00	-57.60
CCCC(=O)N1CCCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162678	1	46	-1.0	-62.60	384.72	5.01	-57.59
CSCC[C@H](NC(=O)CCC1=NC=CS1)C1=N[N-]N=N1	REAL300020162679	0	35	-1.0	-44.77	328.34	2.68	-42.09
CSCC[C@H](NC(=O)CCC1=NC=CS1)C1=NN=N[N-]1	REAL300020162679	1	35	-1.0	-44.78	328.40	2.70	-42.08
CSCC[C@H](NC(=O)CCCCOC1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL300020162680	0	52	-1.0	-47.31	436.50	7.36	-39.95
CSCC[C@H](NC(=O)CCCCOC1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL300020162680	1	52	-1.0	-47.31	436.56	7.37	-39.94
CSCC[C@H](NC(=O)C1=CN=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL300020162681	0	41	-1.0	-45.53	366.05	3.80	-41.73
CSCC[C@H](NC(=O)C1=CN=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL300020162681	1	41	-1.0	-45.54	366.00	3.78	-41.76
COC1=CC=C([N+](=O)[O-])C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162682	0	39	-1.0	-52.50	353.68	4.72	-47.78
COC1=CC=C([N+](=O)[O-])C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162682	1	39	-1.0	-52.51	353.74	4.74	-47.77
CSCC[C@H](NC(=O)CSCCC(C)C)C1=N[N-]N=N1	REAL300020162683	0	42	-1.0	-46.60	367.24	5.19	-41.41
CSCC[C@H](NC(=O)CSCCC(C)C)C1=NN=N[N-]1	REAL300020162683	1	42	-1.0	-46.60	367.30	5.20	-41.40
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1)C1=NN=N[N-]1	REAL300020162684	0	40	-1.0	-51.94	365.37	5.32	-46.62
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1)C1=N[N-]N=N1	REAL300020162684	1	40	-1.0	-51.97	365.32	5.30	-46.67
CSCC[C@H](NC(=O)CN1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162685	0	42	-1.0	-46.15	356.43	4.00	-42.15
CSCC[C@H](NC(=O)CN1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162685	1	42	-1.0	-46.16	356.49	4.02	-42.14
CSCC[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162686	0	49	0.0	-54.40	403.06	7.24	-47.16
CSCC[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162686	1	49	0.0	-49.09	395.53	6.64	-42.45
CSCC[C@H](NC(=O)C1CCCN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162686	1	48	-1.0	-50.16	399.20	4.90	-45.26
CSCC[C@H](NC(=O)C1CCCN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162686	1	48	-1.0	-50.15	399.26	4.91	-45.24
CSCC[C@H](NC(=O)CNC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020162687	0	38	-1.0	-46.56	349.43	3.64	-42.92
CSCC[C@H](NC(=O)CNC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020162687	1	38	-1.0	-46.52	349.49	3.66	-42.86
CSCC[C@H](NC(=O)CC1=C(C)N(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300020162688	0	45	-1.0	-59.41	393.54	4.96	-54.45
CSCC[C@H](NC(=O)CC1=C(C)N(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300020162688	1	45	-1.0	-59.42	393.60	4.97	-54.45
COC1=CC=C(Cl)C=C1NCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162689	0	45	-1.0	-47.49	402.29	3.60	-43.89
COC1=CC=C(Cl)C=C1NCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162689	1	45	-1.0	-47.47	402.35	3.62	-43.85
CSCC[C@H](NC(=O)C1=C(Cl)N=C(N2CCCC2)S1)C1=NN=N[N-]1	REAL300020162690	0	41	-1.0	-46.16	377.63	3.39	-42.77
CSCC[C@H](NC(=O)C1=C(Cl)N=C(N2CCCC2)S1)C1=N[N-]N=N1	REAL300020162690	1	41	-1.0	-46.17	377.57	3.38	-42.79
COC1=CC=C(N2C=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=N2)C=C1	REAL300020162691	0	44	-1.0	-50.78	388.45	4.55	-46.23
COC1=CC=C(N2C=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=N2)C=C1	REAL300020162691	1	44	-1.0	-50.77	388.39	4.53	-46.24
CSCC[C@H](NC(=O)CC(C)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020162692	0	45	-1.0	-44.08	395.74	7.01	-37.07
CSCC[C@H](NC(=O)CC(C)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020162692	1	45	-1.0	-44.08	395.80	7.03	-37.05
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2C)CCOCC1)C1=N[N-]N=N1	REAL300020162693	0	50	-1.0	-45.52	391.03	5.30	-40.22
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2C)CCOCC1)C1=NN=N[N-]1	REAL300020162693	1	50	-1.0	-45.54	391.09	5.32	-40.22
CSCC[C@H](NC(=O)C1(C#N)CCCCC1)C1=N[N-]N=N1	REAL300020162694	0	40	-1.0	-39.68	338.68	4.15	-35.53
CSCC[C@H](NC(=O)C1(C#N)CCCCC1)C1=NN=N[N-]1	REAL300020162694	1	40	-1.0	-39.68	338.74	4.17	-35.51
CSCC[C@H](NC(=O)CCCCOC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020162695	0	49	-1.0	-47.17	416.43	6.61	-40.56
CSCC[C@H](NC(=O)CCCCOC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020162695	1	49	-1.0	-47.15	416.49	6.63	-40.52
CSCC[C@H](NC(=O)C1CCCN1C(=O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162696	0	50	-1.0	-55.00	423.29	7.17	-47.83
CSCC[C@H](NC(=O)C1CCCN1C(=O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162696	1	50	-1.0	-54.97	423.34	7.18	-47.79
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020162697	0	41	-1.0	-51.55	369.33	5.61	-45.94
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020162697	1	41	-1.0	-51.57	369.39	5.63	-45.94
CSCC[C@H](NC(=O)COC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL300020162698	0	41	-1.0	-54.91	365.52	1.44	-53.47
CSCC[C@H](NC(=O)COC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL300020162698	1	41	-1.0	-54.87	365.58	1.45	-53.42
CSCC[C@H](NC(=O)C1=NC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162699	0	38	-1.0	-49.46	335.70	4.63	-44.83
CSCC[C@H](NC(=O)C1=NC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162699	1	38	-1.0	-49.40	335.64	4.61	-44.79
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020162700	0	35	-1.0	-49.34	330.62	5.49	-43.85
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020162700	1	35	-1.0	-49.33	330.68	5.50	-43.83
CSCC[C@H](NC(=O)C1=CC2=CC=CN=C2C=C1)C1=NN=N[N-]1	REAL300020162701	0	38	-1.0	-47.67	338.68	4.47	-43.20
CSCC[C@H](NC(=O)C1=CC2=CC=CN=C2C=C1)C1=N[N-]N=N1	REAL300020162701	1	38	-1.0	-47.64	338.63	4.46	-43.18
CSCC[C@H](NC(=O)C1(C2=CC=CC(F)=C2)CCCCC1)C1=N[N-]N=N1	REAL300020162702	0	49	-1.0	-44.75	396.06	7.44	-37.31
CSCC[C@H](NC(=O)C1(C2=CC=CC(F)=C2)CCCCC1)C1=NN=N[N-]1	REAL300020162702	1	49	-1.0	-44.77	396.12	7.45	-37.32
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC#N)C1=N[N-]N=N1	REAL300020162703	0	38	-1.0	-58.14	346.04	5.33	-52.81
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC#N)C1=NN=N[N-]1	REAL300020162703	1	38	-1.0	-58.09	346.09	5.34	-52.75
CSCC[C@H](NC(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1=N[N-]N=N1	REAL300020162704	0	52	-1.0	-51.09	408.52	4.57	-46.52
CSCC[C@H](NC(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1=NN=N[N-]1	REAL300020162704	1	52	-1.0	-51.08	408.58	4.59	-46.49
CCOC1=CC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020162705	0	39	-1.0	-45.50	361.38	2.40	-43.10
CCOC1=CC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020162705	1	39	-1.0	-45.48	361.32	2.38	-43.10
CSCC[C@H](NC(=O)C1CCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020162706	0	53	-1.0	-56.51	421.63	5.54	-50.97
CSCC[C@H](NC(=O)C1CCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020162706	1	53	-1.0	-56.55	421.68	5.56	-50.99
CSCC[C@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020162707	0	49	-1.0	-42.58	398.38	2.32	-40.26
CSCC[C@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020162707	1	49	-1.0	-42.57	398.44	2.34	-40.23
CSCC[C@H](NC(=O)CN(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162708	0	41	-1.0	-49.75	352.71	5.00	-44.75
CSCC[C@H](NC(=O)CN(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162708	1	41	-1.0	-49.76	352.77	5.02	-44.74
COCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020162709	0	47	-1.0	-53.00	407.85	5.73	-47.27
COCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020162709	1	47	-1.0	-52.99	407.91	5.74	-47.25
CSCC[C@H](NC(=O)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020162710	0	46	-1.0	-47.09	407.51	4.94	-42.15
CSCC[C@H](NC(=O)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020162710	1	46	-1.0	-47.10	407.45	4.92	-42.18
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2)CCCCC1)C1=N[N-]N=N1	REAL300020162711	0	49	-1.0	-46.43	396.55	7.43	-39.00
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2)CCCCC1)C1=NN=N[N-]1	REAL300020162711	1	49	-1.0	-46.41	396.61	7.44	-38.97
COC1=CC=C(C2(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CCOCC2)C=C1	REAL300020162712	0	51	-1.0	-46.04	410.87	4.33	-41.71
COC1=CC=C(C2(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CCOCC2)C=C1	REAL300020162712	1	51	-1.0	-46.02	410.92	4.34	-41.68
C=CCOC1=CC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020162713	0	40	-1.0	-45.39	374.28	2.99	-42.40
C=CCOC1=CC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020162713	1	40	-1.0	-45.41	374.22	2.97	-42.44
CSCC[C@H](NC(=O)C1(C2=CC=CC(F)=C2)CCOCC1)C1=N[N-]N=N1	REAL300020162714	0	47	-1.0	-48.47	388.31	5.06	-43.41
CSCC[C@H](NC(=O)C1(C2=CC=CC(F)=C2)CCOCC1)C1=NN=N[N-]1	REAL300020162714	1	47	-1.0	-48.49	388.37	5.08	-43.41
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2)CCOCC1)C1=N[N-]N=N1	REAL300020162715	0	47	-1.0	-44.53	387.81	5.10	-39.43
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2)CCOCC1)C1=NN=N[N-]1	REAL300020162715	1	47	-1.0	-44.50	387.87	5.11	-39.39
CSCC[C@H](NC(=O)CC1=CC=C(C)S1)C1=N[N-]N=N1	REAL300020162716	0	36	-1.0	-46.04	334.27	4.67	-41.37
CSCC[C@H](NC(=O)CC1=CC=C(C)S1)C1=NN=N[N-]1	REAL300020162716	1	36	-1.0	-46.04	334.33	4.69	-41.35
CSCC[C@H](NC(=O)C1=CC=C(OCC2CC2)C=C1)C1=N[N-]N=N1	REAL300020162717	0	44	-1.0	-46.39	380.46	5.92	-40.47
CSCC[C@H](NC(=O)C1=CC=C(OCC2CC2)C=C1)C1=NN=N[N-]1	REAL300020162717	1	44	-1.0	-46.38	380.52	5.93	-40.45
CCCS(=O)(=O)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162718	0	38	-1.0	-61.54	346.64	0.46	-61.08
CCCS(=O)(=O)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162718	1	38	-1.0	-61.55	346.70	0.48	-61.07
CSCC[C@H](NC(=O)C1=C(C)C2=C(C)C=CC(C)=C2O1)C1=N[N-]N=N1	REAL300020162719	0	45	-1.0	-46.54	383.45	6.32	-40.22
CSCC[C@H](NC(=O)C1=C(C)C2=C(C)C=CC(C)=C2O1)C1=NN=N[N-]1	REAL300020162719	1	45	-1.0	-46.56	383.50	6.33	-40.23
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=C2F)S1)C1=NN=N[N-]1	REAL300020162720	0	39	-1.0	-49.46	368.87	5.28	-44.18
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=C2F)S1)C1=N[N-]N=N1	REAL300020162720	1	39	-1.0	-49.49	368.81	5.26	-44.23
CSCC[C@H](NC(=O)C1=CC=CN=C1SC(F)(F)F)C1=NN=N[N-]1	REAL300020162721	0	36	-1.0	-47.68	348.14	4.37	-43.31
CSCC[C@H](NC(=O)C1=CC=CN=C1SC(F)(F)F)C1=N[N-]N=N1	REAL300020162721	1	36	-1.0	-47.68	348.08	4.35	-43.33
CSCC[C@H](NC(=O)C1=C(C(C)C)OC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020162722	0	48	-1.0	-46.54	417.23	4.78	-41.76
CSCC[C@H](NC(=O)C1=C(C(C)C)OC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020162722	1	48	-1.0	-46.57	417.18	4.76	-41.81
CCCCCCCCCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162723	0	56	-1.0	-45.15	455.63	8.79	-36.36
CCCCCCCCCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162723	1	56	-1.0	-45.17	455.69	8.81	-36.36
CSCC[C@H](NC(=O)C1=CC(C(N)=O)=CS1)C1=N[N-]N=N1	REAL300020162724	0	34	-1.0	-55.40	325.48	-0.15	-55.55
CSCC[C@H](NC(=O)C1=CC(C(N)=O)=CS1)C1=NN=N[N-]1	REAL300020162724	1	34	-1.0	-55.40	325.53	-0.14	-55.54
COCCOC1=NC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162725	0	43	-1.0	-55.40	378.09	2.23	-53.17
COCCOC1=NC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162725	1	43	-1.0	-55.40	378.03	2.21	-53.19
CSCC[C@H](NC(=O)C1CCN(C2=CC=C(F)C=C2)C1=O)C1=N[N-]N=N1	REAL300020162726	0	44	-1.0	-54.90	381.25	5.25	-49.65
CSCC[C@H](NC(=O)C1CCN(C2=CC=C(F)C=C2)C1=O)C1=NN=N[N-]1	REAL300020162726	1	44	-1.0	-54.87	381.30	5.27	-49.60
CSCC[C@H](NC(=O)C1CCN(C2=CC(C)=CC(C)=C2)C1=O)C1=N[N-]N=N1	REAL300020162727	0	50	-1.0	-46.67	417.51	6.52	-40.15
CSCC[C@H](NC(=O)C1CCN(C2=CC(C)=CC(C)=C2)C1=O)C1=NN=N[N-]1	REAL300020162727	1	50	-1.0	-46.66	417.57	6.53	-40.13
CCN(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020162728	0	44	-1.0	-46.68	374.76	5.93	-40.75
CCN(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020162728	1	44	-1.0	-46.69	374.82	5.94	-40.75
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020162729	0	42	-1.0	-53.99	371.24	3.59	-50.40
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=CN=C1)C1=N[N-]N=N1	REAL300020162729	1	42	-1.0	-53.98	371.18	3.57	-50.41
CSCC[C@H](NC(=O)C1=C(C)N(CCC#N)N=C1)C1=N[N-]N=N1	REAL300020162730	0	40	-1.0	-48.69	360.77	3.67	-45.02
CSCC[C@H](NC(=O)C1=C(C)N(CCC#N)N=C1)C1=NN=N[N-]1	REAL300020162730	1	40	-1.0	-48.67	360.82	3.68	-44.99
CSCC[C@H](NC(=O)CCCC[NH+]1CCCC1)C1=N[N-]N=N1	REAL300020162731	0	48	0.0	-64.27	387.44	5.70	-58.57
CSCC[C@H](NC(=O)CCCC[NH+]1CCCC1)C1=NN=N[N-]1	REAL300020162731	1	48	0.0	-64.32	387.50	5.72	-58.60
CCS(=O)(=O)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162732	0	35	-1.0	-61.88	325.14	-0.33	-62.21
CCS(=O)(=O)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162732	1	35	-1.0	-61.89	325.20	-0.32	-62.21
CSCC[C@H](NC(=O)CCN1CCOC1=O)C1=N[N-]N=N1	REAL300020162733	0	38	-1.0	-57.04	338.42	1.91	-55.13
CSCC[C@H](NC(=O)CCN1CCOC1=O)C1=NN=N[N-]1	REAL300020162733	1	38	-1.0	-57.02	338.48	1.93	-55.09
CSCC[C@H](NC(=O)C1=CC=CC2=C1CCC2)C1=N[N-]N=N1	REAL300020162734	0	40	-1.0	-48.29	340.02	5.97	-42.32
CSCC[C@H](NC(=O)C1=CC=CC2=C1CCC2)C1=NN=N[N-]1	REAL300020162734	1	40	-1.0	-48.27	340.07	5.99	-42.28
CCOC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020162735	0	43	-1.0	-50.52	376.34	5.85	-44.67
CCOC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020162735	1	43	-1.0	-50.52	376.40	5.87	-44.65
CSCC[C@H](NC(=O)CNC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020162736	0	40	-1.0	-55.69	357.96	3.94	-51.75
CSCC[C@H](NC(=O)CNC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020162736	1	40	-1.0	-55.71	358.01	3.96	-51.75
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)OC2=C1)C1=N[N-]N=N1	REAL300020162737	0	36	-1.0	-50.26	329.23	1.62	-48.64
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)OC2=C1)C1=NN=N[N-]1	REAL300020162737	1	36	-1.0	-50.25	329.29	1.63	-48.62
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1OC(C)C)C1=N[N-]N=N1	REAL300020162738	0	43	-1.0	-49.04	381.35	6.68	-42.36
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1OC(C)C)C1=NN=N[N-]1	REAL300020162738	1	43	-1.0	-49.01	381.41	6.69	-42.32
CCC1=NC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020162739	0	38	-1.0	-49.08	349.08	3.39	-45.69
CCC1=NC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020162739	1	38	-1.0	-49.09	349.13	3.40	-45.69
CSCC[C@H](NC(=O)C1=CC(NC(C)=O)=CC=C1F)C1=N[N-]N=N1	REAL300020162740	0	40	-1.0	-52.04	358.18	3.06	-48.98
CSCC[C@H](NC(=O)C1=CC(NC(C)=O)=CC=C1F)C1=NN=N[N-]1	REAL300020162740	1	40	-1.0	-52.05	358.23	3.08	-48.97
CSCC[C@H](NC(=O)C1=CC=C(F)C(NC(C)=O)=C1)C1=N[N-]N=N1	REAL300020162741	0	40	-1.0	-55.89	358.70	3.10	-52.79
CSCC[C@H](NC(=O)C1=CC=C(F)C(NC(C)=O)=C1)C1=NN=N[N-]1	REAL300020162741	1	40	-1.0	-55.90	358.75	3.11	-52.79
CSCC[C@H](NC(=O)CCC1=C(Cl)ON=C1C)C1=N[N-]N=N1	REAL300020162742	0	38	-1.0	-42.95	356.31	4.15	-38.80
CSCC[C@H](NC(=O)CCC1=C(Cl)ON=C1C)C1=NN=N[N-]1	REAL300020162742	1	38	-1.0	-42.97	356.37	4.18	-38.79
COCCOC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162743	0	44	-1.0	-55.85	380.34	4.78	-51.07
COCCOC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162743	1	44	-1.0	-55.85	380.40	4.80	-51.05
CSCC[C@H](NC(=O)C1=CC=C(OCC2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300020162744	0	53	-1.0	-46.12	432.02	7.72	-38.40
CSCC[C@H](NC(=O)C1=CC=C(OCC2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300020162744	1	53	-1.0	-46.15	432.08	7.74	-38.41
COCCOC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020162745	0	44	-1.0	-52.66	382.49	3.58	-49.08
COCCOC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020162745	1	44	-1.0	-52.64	382.55	3.60	-49.04
CCSC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=N1	REAL300020162746	0	39	-1.0	-46.38	357.73	4.36	-42.02
CCSC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=N1	REAL300020162746	1	39	-1.0	-46.36	357.67	4.35	-42.01
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020162747	0	43	-1.0	-54.05	385.03	3.27	-50.78
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020162747	1	43	-1.0	-54.07	385.09	3.29	-50.78
CSCC[C@H](NC(=O)C1=C(N2C(C)=CC=C2C)N(C)N=C1)C1=NN=N[N-]1	REAL300020162748	0	47	-1.0	-49.25	410.03	6.67	-42.58
CSCC[C@H](NC(=O)C1=C(N2C(C)=CC=C2C)N(C)N=C1)C1=N[N-]N=N1	REAL300020162748	1	47	-1.0	-49.24	409.97	6.66	-42.58
CCOC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162749	0	46	-1.0	-45.87	394.91	5.79	-40.08
CCOC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162749	1	46	-1.0	-45.85	394.97	5.81	-40.04
CNC(=O)COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020162750	0	48	-1.0	-58.08	416.66	2.70	-55.38
CNC(=O)COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020162750	1	48	-1.0	-58.11	416.72	2.71	-55.40
CSCC[C@H](NC(=O)C1(C2=CC=CC(C)=C2)CC1)C1=N[N-]N=N1	REAL300020162751	0	43	-1.0	-46.64	370.06	6.46	-40.18
CSCC[C@H](NC(=O)C1(C2=CC=CC(C)=C2)CC1)C1=NN=N[N-]1	REAL300020162751	1	43	-1.0	-46.66	370.11	6.47	-40.19
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC(C)=C2O1)C1=N[N-]N=N1	REAL300020162752	0	42	-1.0	-46.36	367.95	5.83	-40.53
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC(C)=C2O1)C1=NN=N[N-]1	REAL300020162752	1	42	-1.0	-46.36	368.01	5.85	-40.51
CSCC[C@H](NC(=O)C1=CC2=C(N1C)N(C)C(=O)N(C)C2=O)C1=N[N-]N=N1	REAL300020162753	0	46	-1.0	-45.74	389.96	4.50	-41.24
CSCC[C@H](NC(=O)CN1C=CC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL300020162754	0	40	-1.0	-52.28	372.03	6.75	-45.53
CSCC[C@H](NC(=O)CN1C=CC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL300020162754	1	40	-1.0	-52.32	372.08	6.76	-45.56
CSCC[C@H](NC(=O)CCC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300020162755	0	39	-1.0	-45.20	355.42	5.66	-39.54
CSCC[C@H](NC(=O)CCC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL300020162755	1	39	-1.0	-45.22	355.47	5.67	-39.55
CSCC[C@H](NC(=O)CN1C(=O)SC(C)=C1C)C1=N[N-]N=N1	REAL300020162756	0	39	-1.0	-47.58	354.18	3.50	-44.08
CSCC[C@H](NC(=O)CN1C(=O)SC(C)=C1C)C1=NN=N[N-]1	REAL300020162756	1	39	-1.0	-47.58	354.24	3.52	-44.06
CSCC[C@H](NC(=O)CCCNC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020162757	0	46	-1.0	-48.34	406.53	4.08	-44.26
CSCC[C@H](NC(=O)CCCNC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020162757	1	46	-1.0	-48.34	406.59	4.09	-44.25
CSCC[C@H](NC(=O)C1=NN2C=C(Br)C=NC2=N1)C1=NN=N[N-]1	REAL300020162758	0	34	-1.0	-49.76	339.84	4.85	-44.91
CSCC[C@H](NC(=O)C1=NN2C=C(Br)C=NC2=N1)C1=N[N-]N=N1	REAL300020162758	1	34	-1.0	-49.76	339.78	4.83	-44.93
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC=C1	REAL300020162759	0	36	-1.0	-45.96	327.07	4.49	-41.47
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC=C1	REAL300020162759	1	36	-1.0	-45.96	327.13	4.50	-41.46
CSCC[C@H](NC(=O)C1=CC=NC(SC)=C1)C1=NN=N[N-]1	REAL300020162760	0	36	-1.0	-46.36	336.27	3.50	-42.86
CSCC[C@H](NC(=O)C1=CC=NC(SC)=C1)C1=N[N-]N=N1	REAL300020162760	1	36	-1.0	-46.37	336.21	3.48	-42.89
CSCC[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1=N[N-]N=N1	REAL300020162761	0	47	-1.0	-56.06	393.53	0.37	-55.69
CSCC[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1=NN=N[N-]1	REAL300020162761	1	47	-1.0	-56.07	393.59	0.38	-55.69
CSCC[C@H](NC(=O)C1=NC(OC(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL300020162762	0	42	-1.0	-45.30	381.52	3.32	-41.98
CSCC[C@H](NC(=O)C1=NC(OC(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL300020162762	1	42	-1.0	-45.28	381.46	3.30	-41.98
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020162763	0	36	-1.0	-41.76	338.21	4.94	-36.82
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020162763	1	36	-1.0	-41.75	338.16	4.93	-36.82
CSCC[C@H](NC(=O)CC1CCCCC1C)C1=N[N-]N=N1	REAL300020162764	0	45	-1.0	-45.49	352.41	5.29	-40.20
CSCC[C@H](NC(=O)CC1CCCCC1C)C1=NN=N[N-]1	REAL300020162764	1	45	-1.0	-45.47	352.47	5.31	-40.16
COC1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020162765	0	42	-1.0	-48.03	372.18	3.30	-44.73
COC1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020162765	1	42	-1.0	-48.03	372.12	3.29	-44.74
CSCC[C@H](NC(=O)C1=CC=C(N2NC(=O)CCC2=O)C=C1)C1=N[N-]N=N1	REAL300020162766	0	45	-1.0	-52.32	394.41	3.13	-49.19
CSCC[C@H](NC(=O)C1=CC=C(N2NC(=O)CCC2=O)C=C1)C1=NN=N[N-]1	REAL300020162766	1	45	-1.0	-52.31	394.47	3.14	-49.17
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=NC=C2)NC1=O)C1=N[N-]N=N1	REAL300020162767	0	42	-1.0	-56.40	369.34	3.08	-53.32
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=NC=C2)NC1=O)C1=NN=N[N-]1	REAL300020162767	1	42	-1.0	-56.38	369.40	3.10	-53.28
CSCC[C@H](NC(=O)C1=C(Br)C(C2CC2)=NN1)C1=N[N-]N=N1	REAL300020162768	0	37	-1.0	-43.50	351.57	3.36	-40.14
CSCC[C@H](NC(=O)C1=C(Br)C(C2CC2)=NN1)C1=NN=N[N-]1	REAL300020162768	1	37	-1.0	-43.51	351.63	3.37	-40.14
COCC1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020162769	0	36	-1.0	-47.24	340.38	0.84	-46.40
COCC1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020162769	1	36	-1.0	-47.23	340.44	0.86	-46.37
CSCC[C@H](NC(=O)CC(C1CC1)C1CC1)C1=N[N-]N=N1	REAL300020162770	0	43	-1.0	-44.80	361.58	6.08	-38.72
CSCC[C@H](NC(=O)CC(C1CC1)C1CC1)C1=NN=N[N-]1	REAL300020162770	1	43	-1.0	-44.78	361.64	6.09	-38.69
CCC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020162771	0	35	-1.0	-45.15	328.12	2.70	-42.45
CCC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020162771	1	35	-1.0	-45.17	328.18	2.72	-42.45
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CSCC[C@H](NC(=O)CC1=NNC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162795	0	39	-1.0	-49.63	349.25	3.33	-46.30
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CSCC[C@H](NC(=O)C1=CC=CC=C1NC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020162809	1	49	-1.0	-47.10	407.84	5.49	-41.61
CSCC[C@H](NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020162810	0	36	-1.0	-44.96	341.79	5.14	-39.82
CSCC[C@H](NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020162810	1	36	-1.0	-44.98	341.85	5.15	-39.83
CSCC[C@H](NC(=O)C1=CC=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL300020162811	0	33	-1.0	-44.18	324.51	4.75	-39.43
CSCC[C@H](NC(=O)C1=CC=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL300020162811	1	33	-1.0	-44.20	324.57	4.77	-39.43
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CSCC[C@H](NC(=O)C(C)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162813	0	43	-1.0	-50.30	376.42	5.84	-44.46
CSCC[C@H](NC(=O)C(C)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162813	1	43	-1.0	-50.27	376.48	5.86	-44.41
CSCC[C@H](NC(=O)CCOC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020162814	0	46	-1.0	-53.31	412.71	1.91	-51.40
CSCC[C@H](NC(=O)CCOC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020162814	1	46	-1.0	-53.29	412.77	1.93	-51.36
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CSCC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020162816	0	46	-1.0	-45.64	386.09	1.80	-43.84
CSCC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020162816	1	46	-1.0	-45.65	386.14	1.81	-43.84
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020162817	0	50	-1.0	-51.39	411.48	4.44	-46.95
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020162817	1	50	-1.0	-51.34	411.54	4.45	-46.89
CSCC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020162818	0	43	-1.0	-44.30	366.53	0.90	-43.40
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CSCC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020162819	0	46	-1.0	-43.18	386.08	1.80	-41.38
CSCC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020162819	1	46	-1.0	-43.20	386.14	1.81	-41.39
CSCC[C@H](NC(=O)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=NN=N[N-]1	REAL300020162820	0	42	-1.0	-50.36	387.17	5.92	-44.44
CSCC[C@H](NC(=O)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1)C1=N[N-]N=N1	REAL300020162820	1	42	-1.0	-50.33	387.11	5.91	-44.42
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL300020162821	0	40	-1.0	-50.21	362.95	5.41	-44.80
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL300020162821	1	40	-1.0	-50.19	362.89	5.39	-44.80
CSCC[C@H](NC(=O)C=C(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020162822	0	40	-1.0	-43.77	358.36	6.14	-37.63
CSCC[C@H](NC(=O)C=C(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020162822	1	40	-1.0	-43.81	358.42	6.16	-37.65
CSCC[C@H](NC(=O)CCOC1=CC=C(CCC(C)=O)C=C1)C1=N[N-]N=N1	REAL300020162823	0	51	-1.0	-49.24	439.62	6.52	-42.72
CSCC[C@H](NC(=O)CCOC1=CC=C(CCC(C)=O)C=C1)C1=NN=N[N-]1	REAL300020162823	1	51	-1.0	-49.24	439.68	6.54	-42.70
CSCC[C@H](NC(=O)CCCOC1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL300020162824	0	48	-1.0	-57.23	414.79	5.57	-51.66
CSCC[C@H](NC(=O)CCCOC1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL300020162824	1	48	-1.0	-57.24	414.85	5.58	-51.66
CSCC[C@H](NC(=O)CNC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162825	0	44	-1.0	-45.22	393.41	2.85	-42.37
CSCC[C@H](NC(=O)CNC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162825	1	44	-1.0	-45.21	393.47	2.87	-42.34
CSCC[C@H](NC(=O)CC(C)(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162826	0	45	-1.0	-44.46	367.55	6.33	-38.13
CSCC[C@H](NC(=O)CC(C)(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162826	1	45	-1.0	-44.42	367.61	6.34	-38.08
CCCCOC(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162827	0	42	-1.0	-48.02	359.51	4.37	-43.65
CCCCOC(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162827	1	42	-1.0	-48.00	359.56	4.38	-43.62
CCCCC(NC(N)=O)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162828	0	44	-1.0	-52.06	370.79	0.82	-51.24
CCCCC(NC(N)=O)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162828	1	44	-1.0	-52.10	370.85	0.84	-51.26
CSCC[C@H](NC(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020162829	0	41	-1.0	-57.42	363.11	5.93	-51.49
CSCC[C@H](NC(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020162829	1	41	-1.0	-57.40	363.16	5.94	-51.46
CSCC[C@H](NC(=O)CC1=C(C)N(C(F)F)N=C1C)C1=N[N-]N=N1	REAL300020162830	0	42	-1.0	-49.90	376.13	3.68	-46.22
CSCC[C@H](NC(=O)CC1=C(C)N(C(F)F)N=C1C)C1=NN=N[N-]1	REAL300020162830	1	42	-1.0	-49.92	376.18	3.69	-46.23
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020162831	0	48	-1.0	-49.92	397.66	4.83	-45.09
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020162831	1	48	-1.0	-49.89	397.72	4.85	-45.04
CSCC[C@H](NC(=O)CCN1C=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020162832	0	38	-1.0	-46.38	354.78	3.47	-42.91
CSCC[C@H](NC(=O)CCN1C=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL300020162832	1	38	-1.0	-46.40	354.72	3.46	-42.94
CSCC[C@H](NC(=O)CCN1C=C([N+](=O)[O-])N=C1C)C1=N[N-]N=N1	REAL300020162833	0	41	-1.0	-49.55	374.27	5.77	-43.78
CSCC[C@H](NC(=O)CCN1C=C([N+](=O)[O-])N=C1C)C1=NN=N[N-]1	REAL300020162833	1	41	-1.0	-49.53	374.33	5.78	-43.75
CCN(CC)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020162834	0	46	-1.0	-47.18	389.65	5.82	-41.36
CCN(CC)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020162834	1	46	-1.0	-47.23	389.71	5.83	-41.40
COC1=CC=C(C)C=C1N1C=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020162835	0	47	-1.0	-52.53	407.66	5.55	-46.98
COC1=CC=C(C)C=C1N1C=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020162835	1	47	-1.0	-52.55	407.61	5.53	-47.02
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)N2C)C1=N[N-]N=N1	REAL300020162836	0	40	-1.0	-49.85	355.45	2.94	-46.91
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)N2C)C1=NN=N[N-]1	REAL300020162836	1	40	-1.0	-49.84	355.51	2.96	-46.88
CSCC[C@H](NC(=O)C1=CN(CC(=O)N(C)C)N=N1)C1=NN=N[N-]1	REAL300020162837	0	42	-1.0	-58.42	375.45	0.87	-57.55
CSCC[C@H](NC(=O)C1=CN(CC(=O)N(C)C)N=N1)C1=N[N-]N=N1	REAL300020162837	1	42	-1.0	-58.45	375.39	0.85	-57.60
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2C)C2=C1CCC2)C1=N[N-]N=N1	REAL300020162838	0	50	-1.0	-52.53	425.53	8.00	-44.53
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2C)C2=C1CCC2)C1=NN=N[N-]1	REAL300020162838	1	50	-1.0	-52.53	425.59	8.02	-44.51
CSCC[C@H](NC(=O)COC1=CC=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL300020162839	0	38	-1.0	-51.76	367.92	5.57	-46.19
CSCC[C@H](NC(=O)COC1=CC=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL300020162839	1	38	-1.0	-51.76	367.97	5.59	-46.17
CSCC[C@H](NC(=O)COCCC(C)C)C1=N[N-]N=N1	REAL300020162840	0	42	-1.0	-48.10	357.29	4.20	-43.90
CSCC[C@H](NC(=O)COCCC(C)C)C1=NN=N[N-]1	REAL300020162840	1	42	-1.0	-48.10	357.35	4.21	-43.89
CSCC[C@H](NC(=O)C(C)OCCC(C)C)C1=N[N-]N=N1	REAL300020162841	0	45	-1.0	-48.48	377.08	4.89	-43.59
CSCC[C@H](NC(=O)C(C)OCCC(C)C)C1=NN=N[N-]1	REAL300020162841	1	45	-1.0	-48.45	377.13	4.90	-43.55
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020162842	0	36	-1.0	-42.42	348.55	5.38	-37.04
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020162842	1	36	-1.0	-42.41	348.50	5.37	-37.04
CSCC[C@H](NC(=O)CC1=CC=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300020162843	0	46	-1.0	-50.74	391.44	5.61	-45.13
CSCC[C@H](NC(=O)CC1=CC=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300020162843	1	46	-1.0	-50.76	391.49	5.62	-45.14
CSCC[C@H](NC(=O)COCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162844	0	43	-1.0	-48.59	378.13	5.93	-42.66
CSCC[C@H](NC(=O)COCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162844	1	43	-1.0	-48.60	378.19	5.95	-42.65
COC1=CC=CC=C1C1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020162845	0	43	-1.0	-49.44	391.17	4.45	-44.99
COC1=CC=CC=C1C1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020162845	1	43	-1.0	-49.44	391.11	4.43	-45.01
CSCC[C@H](NC(=O)C1CC(=O)N(CCN2CCOCC2)C1)C1=N[N-]N=N1	REAL300020162846	0	53	-1.0	-50.34	434.86	1.13	-49.21
CSCC[C@H](NC(=O)C1CC(=O)N(CCN2CCOCC2)C1)C1=NN=N[N-]1	REAL300020162846	1	53	-1.0	-50.29	434.92	1.14	-49.15
CSCC[C@H](NC(=O)C1=CC=C(CS(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020162847	0	41	-1.0	-58.72	375.79	-0.26	-58.98
CSCC[C@H](NC(=O)C1=CC=C(CS(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020162847	1	41	-1.0	-58.71	375.84	-0.25	-58.96
CSCC[C@H](NC(=O)C(C)OCC1CCCO1)C1=N[N-]N=N1	REAL300020162848	0	44	-1.0	-53.43	372.79	3.33	-50.10
CSCC[C@H](NC(=O)C(C)OCC1CCCO1)C1=NN=N[N-]1	REAL300020162848	1	44	-1.0	-53.43	372.85	3.34	-50.09
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CS2)NC1=O)C1=NN=N[N-]1	REAL300020162849	0	40	-1.0	-64.04	367.65	5.05	-58.99
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CS2)NC1=O)C1=N[N-]N=N1	REAL300020162849	1	40	-1.0	-64.03	367.59	5.04	-58.99
CSCC[C@H](NC(=O)C1=CSC(CC(C)C)=N1)C1=N[N-]N=N1	REAL300020162850	0	41	-1.0	-46.47	366.43	3.80	-42.67
CSCC[C@H](NC(=O)C1=CSC(CC(C)C)=N1)C1=NN=N[N-]1	REAL300020162850	1	41	-1.0	-46.47	366.49	3.81	-42.66
CSCC[C@H](NC(=O)CCCCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020162851	0	48	-1.0	-46.24	407.96	7.81	-38.43
CSCC[C@H](NC(=O)CCCCC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020162851	1	48	-1.0	-46.22	408.02	7.82	-38.40
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C(C)=NN1)C1=N[N-]N=N1	REAL300020162852	0	35	-1.0	-48.05	331.17	1.96	-46.09
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C(C)=NN1)C1=NN=N[N-]1	REAL300020162852	1	35	-1.0	-48.06	331.23	1.97	-46.09
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL300020162853	0	40	-1.0	-48.72	370.66	5.95	-42.77
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL300020162853	1	40	-1.0	-48.70	370.61	5.94	-42.76
CSCC[C@H](NC(=O)COC1=CC=C([N+](=O)[O-])C(F)=C1)C1=N[N-]N=N1	REAL300020162854	0	39	-1.0	-49.08	363.80	5.34	-43.74
CSCC[C@H](NC(=O)COC1=CC=C([N+](=O)[O-])C(F)=C1)C1=NN=N[N-]1	REAL300020162854	1	39	-1.0	-49.10	363.86	5.36	-43.74
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020162855	0	39	-1.0	-52.75	364.18	5.92	-46.83
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020162855	1	39	-1.0	-52.76	364.24	5.93	-46.83
CSCC[C@H](NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020162856	0	56	-1.0	-46.56	444.74	5.72	-40.84
CSCC[C@H](NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020162856	1	56	-1.0	-46.61	444.80	5.74	-40.87
COC1=CC=C2CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)COC2=C1	REAL300020162857	0	45	-1.0	-45.29	381.56	3.92	-41.37
COC1=CC=C2CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)COC2=C1	REAL300020162857	1	45	-1.0	-45.31	381.62	3.93	-41.38
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2Cl)N=N1)C1=NN=N[N-]1	REAL300020162858	0	39	-1.0	-48.66	367.01	4.34	-44.32
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2Cl)N=N1)C1=N[N-]N=N1	REAL300020162858	1	39	-1.0	-48.60	366.95	4.32	-44.28
CSCC[C@H](NC(=O)C1=CSC(C2CC2)=N1)C1=N[N-]N=N1	REAL300020162859	0	36	-1.0	-47.02	336.57	3.31	-43.71
CSCC[C@H](NC(=O)C1=CSC(C2CC2)=N1)C1=NN=N[N-]1	REAL300020162859	1	36	-1.0	-47.04	336.63	3.32	-43.72
CSCC[C@H](NC(=O)CCCOC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020162860	0	43	-1.0	-51.22	386.16	5.29	-45.93
CSCC[C@H](NC(=O)CCCOC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020162860	1	43	-1.0	-51.25	386.22	5.30	-45.95
CSCC[C@H](NC(=O)CCN1C=C(S(N)(=O)=O)C=N1)C1=NN=N[N-]1	REAL300020162861	0	41	-1.0	-52.97	380.98	-2.38	-55.35
CSCC[C@H](NC(=O)CCN1C=C(S(N)(=O)=O)C=N1)C1=N[N-]N=N1	REAL300020162861	1	41	-1.0	-52.99	380.92	-2.40	-55.39
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(F)C=C2)N1C)C1=N[N-]N=N1	REAL300020162862	0	44	-1.0	-45.66	381.57	6.78	-38.88
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(F)C=C2)N1C)C1=NN=N[N-]1	REAL300020162862	1	44	-1.0	-45.63	381.63	6.80	-38.83
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C=NN2CC(C)C)C1=NN=N[N-]1	REAL300020162863	0	47	-1.0	-45.81	403.64	5.66	-40.15
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C=NN2CC(C)C)C1=N[N-]N=N1	REAL300020162863	1	47	-1.0	-45.81	403.59	5.65	-40.16
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL300020162864	0	44	-1.0	-44.65	383.76	4.40	-40.25
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL300020162864	1	44	-1.0	-44.67	383.82	4.41	-40.26
CSCC[C@H](NC(=O)C1(C(=O)NC2CC2)CC1)C1=N[N-]N=N1	REAL300020162865	0	41	-1.0	-42.45	363.20	2.28	-40.17
CSCC[C@H](NC(=O)C1(C(=O)NC2CC2)CC1)C1=NN=N[N-]1	REAL300020162865	1	41	-1.0	-42.47	363.26	2.30	-40.17
CSCC[C@H](NC(=O)C1=CN2C(C)=NN=C2C=C1)C1=N[N-]N=N1	REAL300020162866	0	38	-1.0	-46.57	340.36	5.21	-41.36
CSCC[C@H](NC(=O)C1=CN2C(C)=NN=C2C=C1)C1=NN=N[N-]1	REAL300020162866	1	38	-1.0	-46.57	340.42	5.22	-41.35
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020162867	0	40	-1.0	-39.91	364.04	5.93	-33.98
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020162867	1	40	-1.0	-39.92	364.10	5.94	-33.98
CSCC[C@H](NC(=O)CSCC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020162868	0	42	-1.0	-55.06	403.36	6.51	-48.55
CSCC[C@H](NC(=O)CSCC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020162868	1	42	-1.0	-55.05	403.42	6.52	-48.53
CSCC[C@H](NC(=O)CN1C=C(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162869	0	43	-1.0	-51.68	377.23	6.90	-44.78
CSCC[C@H](NC(=O)CN1C=C(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162869	1	43	-1.0	-51.71	377.28	6.91	-44.80
CCCCN(CC)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162870	0	53	-1.0	-48.10	435.42	7.93	-40.17
CCCCN(CC)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162870	1	53	-1.0	-48.12	435.48	7.94	-40.18
CSCC[C@H](NC(=O)C1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=N[N-]N=N1	REAL300020162871	0	39	-1.0	-61.16	358.11	4.74	-56.42
CSCC[C@H](NC(=O)C1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=NN=N[N-]1	REAL300020162871	1	39	-1.0	-61.17	358.17	4.76	-56.41
CSCC[C@H](NC(=O)CN1C=C(S(N)(=O)=O)C=N1)C1=NN=N[N-]1	REAL300020162872	0	38	-1.0	-54.02	358.78	-2.93	-56.95
CSCC[C@H](NC(=O)CN1C=C(S(N)(=O)=O)C=N1)C1=N[N-]N=N1	REAL300020162872	1	38	-1.0	-54.00	358.72	-2.94	-56.94
CCOC(CN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1)OCC	REAL300020162873	0	49	-1.0	-47.34	424.24	2.11	-45.23
CCOC(CN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1)OCC	REAL300020162873	1	49	-1.0	-47.37	424.18	2.09	-45.28
CSCC[C@H](NC(=O)CSCC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162874	0	42	-1.0	-56.31	386.64	5.99	-50.32
CSCC[C@H](NC(=O)CSCC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162874	1	42	-1.0	-56.31	386.70	6.00	-50.31
CCN1C=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020162875	0	46	-1.0	-53.07	398.37	7.45	-45.62
CCN1C=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020162875	1	46	-1.0	-53.07	398.42	7.46	-45.61
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020162876	0	43	-1.0	-52.94	379.04	6.31	-46.63
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020162876	1	43	-1.0	-52.99	378.98	6.30	-46.69
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300020162877	0	42	-1.0	-45.12	384.71	6.67	-38.45
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300020162877	1	42	-1.0	-45.11	384.76	6.68	-38.43
CSCC[C@H](NC(=O)CCC1=NC(C2=NNC=N2)=NO1)C1=N[N-]N=N1	REAL300020162878	0	40	-1.0	-53.00	369.88	1.30	-51.70
CSCC[C@H](NC(=O)CCC1=NC(C2=NNC=N2)=NO1)C1=NN=N[N-]1	REAL300020162878	1	40	-1.0	-53.03	369.93	1.32	-51.71
CSCC[C@H](NC(=O)C(C)OCC1CCCCO1)C1=N[N-]N=N1	REAL300020162879	0	47	-1.0	-49.64	391.66	4.11	-45.53
CSCC[C@H](NC(=O)C(C)OCC1CCCCO1)C1=NN=N[N-]1	REAL300020162879	1	47	-1.0	-49.65	391.72	4.12	-45.53
CSCC[C@H](NC(=O)C(C)OC1=CC=C(CCC(C)=O)C=C1)C1=N[N-]N=N1	REAL300020162880	0	51	-1.0	-52.79	435.32	7.40	-45.39
CSCC[C@H](NC(=O)C(C)OC1=CC=C(CCC(C)=O)C=C1)C1=NN=N[N-]1	REAL300020162880	1	51	-1.0	-52.82	435.37	7.42	-45.40
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=C(C)C=C2C)S1)C1=N[N-]N=N1	REAL300020162881	0	45	-1.0	-45.48	405.82	6.42	-39.06
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=C(C)C=C2C)S1)C1=NN=N[N-]1	REAL300020162881	1	45	-1.0	-45.44	405.88	6.43	-39.01
CSCC[C@H](NC(=O)C1=CC2=CC=CC(C)=C2O1)C1=N[N-]N=N1	REAL300020162882	0	39	-1.0	-46.00	350.18	5.15	-40.85
CSCC[C@H](NC(=O)C1=CC2=CC=CC(C)=C2O1)C1=NN=N[N-]1	REAL300020162882	1	39	-1.0	-45.98	350.23	5.16	-40.82
CSCC[C@H](NC(=O)C1(C2=CC=C(C(C)(C)C)C=C2)CCC1)C1=N[N-]N=N1	REAL300020162883	0	55	-1.0	-49.42	441.35	8.65	-40.77
CSCC[C@H](NC(=O)C1(C2=CC=C(C(C)(C)C)C=C2)CCC1)C1=NN=N[N-]1	REAL300020162883	1	55	-1.0	-49.38	441.41	8.66	-40.72
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL300020162884	0	45	-1.0	-59.39	390.46	5.75	-53.64
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL300020162884	1	45	-1.0	-59.40	390.52	5.76	-53.64
CSCC[C@H](NC(=O)C1=C(C2CC2)N(C)N=C1)C1=N[N-]N=N1	REAL300020162885	0	40	-1.0	-47.78	346.16	3.69	-44.09
CSCC[C@H](NC(=O)C1=C(C2CC2)N(C)N=C1)C1=NN=N[N-]1	REAL300020162885	1	40	-1.0	-47.76	346.22	3.70	-44.06
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(C#N)C=C2)C1)C1=N[N-]N=N1	REAL300020162886	0	45	-1.0	-45.95	397.54	5.43	-40.52
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(C#N)C=C2)C1)C1=NN=N[N-]1	REAL300020162886	1	45	-1.0	-45.94	397.59	5.44	-40.50
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020162887	0	45	-1.0	-47.49	364.27	6.00	-41.49
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020162887	1	45	-1.0	-47.51	364.33	6.02	-41.49
COC1=CC=CC=C1C(C)(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162888	0	46	-1.0	-47.95	378.26	5.89	-42.06
COC1=CC=CC=C1C(C)(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162888	1	46	-1.0	-47.95	378.32	5.91	-42.04
CSCC[C@H](NC(=O)C=C(C)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020162889	0	43	-1.0	-43.55	390.78	7.08	-36.47
CSCC[C@H](NC(=O)C=C(C)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020162889	1	43	-1.0	-43.60	390.83	7.09	-36.51
CSCC[C@H](NC(=O)CC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL300020162890	0	36	-1.0	-46.13	353.12	5.70	-40.43
CSCC[C@H](NC(=O)CC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL300020162890	1	36	-1.0	-46.15	353.18	5.72	-40.43
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)S1)C1=N[N-]N=N1	REAL300020162891	0	34	-1.0	-46.47	327.42	-0.04	-46.51
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)S1)C1=NN=N[N-]1	REAL300020162891	1	34	-1.0	-46.39	327.48	-0.03	-46.42
CSCC[C@H](NC(=O)C1=CC=CC(CS(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020162892	0	41	-1.0	-60.88	375.65	-0.27	-61.15
CSCC[C@H](NC(=O)C1=CC=CC(CS(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020162892	1	41	-1.0	-60.90	375.70	-0.25	-61.15
CSCC[C@H](NC(=O)C1=CC(N(C)C)=CC=N1)C1=N[N-]N=N1	REAL300020162893	0	40	-1.0	-48.62	347.64	2.79	-45.83
CSCC[C@H](NC(=O)C1=CC(N(C)C)=CC=N1)C1=NN=N[N-]1	REAL300020162893	1	40	-1.0	-48.68	347.70	2.80	-45.88
CSCC[C@H](NC(=O)C(C)C1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL300020162894	0	45	-1.0	-50.24	372.23	3.87	-46.37
CSCC[C@H](NC(=O)C(C)C1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL300020162894	1	45	-1.0	-50.22	372.29	3.89	-46.33
CSCC[C@H](NC(=O)C1=CC=C2COCC2=C1)C1=N[N-]N=N1	REAL300020162895	0	38	-1.0	-46.75	333.52	3.39	-43.36
CSCC[C@H](NC(=O)C1=CC=C2COCC2=C1)C1=NN=N[N-]1	REAL300020162895	1	38	-1.0	-46.75	333.58	3.40	-43.35
COC1=CC=C(C(=O)CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162896	0	45	-1.0	-45.71	393.08	4.71	-41.00
COC1=CC=C(C(=O)CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162896	1	45	-1.0	-45.70	393.13	4.72	-40.98
COC1=CC(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020162897	0	43	-1.0	-51.63	386.57	5.40	-46.23
COC1=CC(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020162897	1	43	-1.0	-51.68	386.63	5.42	-46.26
CSCC[C@H](NC(=O)C1=CN2C=NN=C2C=C1)C1=NN=N[N-]1	REAL300020162898	0	35	-1.0	-46.59	318.56	5.39	-41.20
CSCC[C@H](NC(=O)C1=CN2C=NN=C2C=C1)C1=N[N-]N=N1	REAL300020162898	1	35	-1.0	-46.54	318.51	5.38	-41.16
CSCC[C@H](NC(=O)CCOC1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020162899	0	49	-1.0	-45.35	412.23	6.32	-39.03
CSCC[C@H](NC(=O)CCOC1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020162899	1	49	-1.0	-45.37	412.29	6.33	-39.04
CSCC[C@H](NC(=O)C1=CC=CC2=C1OCCO2)C1=N[N-]N=N1	REAL300020162900	0	39	-1.0	-51.89	339.77	4.35	-47.54
CSCC[C@H](NC(=O)C1=CC=CC2=C1OCCO2)C1=NN=N[N-]1	REAL300020162900	1	39	-1.0	-51.87	339.83	4.36	-47.51
CSCC[C@H](NC(=O)C1=CC(Br)=CS1)C1=N[N-]N=N1	REAL300020162901	0	30	-1.0	-44.27	311.14	3.71	-40.56
CSCC[C@H](NC(=O)C1=CC(Br)=CS1)C1=NN=N[N-]1	REAL300020162901	1	30	-1.0	-44.29	311.20	3.72	-40.57
CSCC[C@H](NC(=O)C1CCCN1C(=O)CC(C)(C)C)C1=N[N-]N=N1	REAL300020162902	0	52	-1.0	-60.96	416.37	5.99	-54.97
CSCC[C@H](NC(=O)C1CCCN1C(=O)CC(C)(C)C)C1=NN=N[N-]1	REAL300020162902	1	52	-1.0	-61.02	416.42	6.00	-55.02
COC1=CC=C(C2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=NO2)C(F)=C1	REAL300020162903	0	43	-1.0	-45.85	393.00	4.54	-41.31
COC1=CC=C(C2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=NO2)C(F)=C1	REAL300020162903	1	43	-1.0	-45.85	392.94	4.53	-41.32
CSCC[C@H](NC(=O)C1=CC=C(N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300020162904	0	46	-1.0	-47.34	381.31	2.92	-44.42
CSCC[C@H](NC(=O)C1=CC=C(N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300020162904	1	46	-1.0	-47.34	381.36	2.93	-44.41
COC1=CC=C(CCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162905	0	46	-1.0	-49.14	394.56	5.65	-43.49
COC1=CC=C(CCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162905	1	46	-1.0	-49.16	394.62	5.66	-43.50
CSCC[C@H](NC(=O)C(C)CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020162906	0	42	-1.0	-44.44	365.39	6.10	-38.34
CSCC[C@H](NC(=O)C(C)CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020162906	1	42	-1.0	-44.42	365.44	6.12	-38.30
CSCC[C@H](NC(=O)C(C)CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020162907	0	42	-1.0	-44.14	365.34	6.11	-38.03
CSCC[C@H](NC(=O)C(C)CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020162907	1	42	-1.0	-44.13	365.39	6.13	-38.00
C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1=O	REAL300020162908	0	41	-1.0	-50.36	381.74	2.63	-47.73
C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1=O	REAL300020162908	1	41	-1.0	-50.35	381.80	2.64	-47.71
CSCC[C@H](NC(=O)C(C(C)C)N1CCCC1=O)C1=N[N-]N=N1	REAL300020162909	0	46	-1.0	-52.37	372.99	5.90	-46.47
CSCC[C@H](NC(=O)C(C(C)C)N1CCCC1=O)C1=NN=N[N-]1	REAL300020162909	1	46	-1.0	-52.33	373.05	5.92	-46.41
CSCC[C@H](NC(=O)C1=C(C)C(C)(C)OC1=O)C1=N[N-]N=N1	REAL300020162910	0	40	-1.0	-50.20	348.15	4.19	-46.01
CSCC[C@H](NC(=O)C1=C(C)C(C)(C)OC1=O)C1=NN=N[N-]1	REAL300020162910	1	40	-1.0	-50.20	348.20	4.21	-45.99
COC1=CC(Cl)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162911	0	37	-1.0	-48.08	341.57	5.15	-42.93
COC1=CC(Cl)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162911	1	37	-1.0	-48.05	341.63	5.17	-42.88
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1C)C1=N[N-]N=N1	REAL300020162912	0	38	-1.0	-44.98	341.79	5.43	-39.55
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1C)C1=NN=N[N-]1	REAL300020162912	1	38	-1.0	-45.00	341.85	5.44	-39.56
CSCC[C@H](NC(=O)CCCCC1SCC2NC(=O)NC21)C1=N[N-]N=N1	REAL300020162913	0	50	-1.0	-52.06	427.27	1.94	-50.12
CSCC[C@H](NC(=O)CCCCC1SCC2NC(=O)NC21)C1=NN=N[N-]1	REAL300020162913	1	50	-1.0	-52.06	427.32	1.96	-50.10
CCN(C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1)C(C)C	REAL300020162914	0	50	-1.0	-47.91	403.35	6.67	-41.24
CCN(C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1)C(C)C	REAL300020162914	1	50	-1.0	-47.92	403.41	6.68	-41.24
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162915	0	43	-2.0	-105.37	386.81	2.06	-103.31
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162915	1	43	-2.0	-105.42	386.86	2.08	-103.34
CSCC[C@H](NC(=O)C1=CC=NC(N2C=NC=N2)=C1)C1=NN=N[N-]1	REAL300020162916	0	38	-1.0	-51.67	348.29	5.96	-45.71
CSCC[C@H](NC(=O)C1=CC=NC(N2C=NC=N2)=C1)C1=N[N-]N=N1	REAL300020162916	1	38	-1.0	-51.70	348.23	5.95	-45.75
CSCC[C@H](NC(=O)C1=CC=CC=C1N1CCOCC1)C1=N[N-]N=N1	REAL300020162917	0	46	-1.0	-48.70	382.86	4.24	-44.46
CSCC[C@H](NC(=O)C1=CC=CC=C1N1CCOCC1)C1=NN=N[N-]1	REAL300020162917	1	46	-1.0	-48.74	382.92	4.25	-44.49
CSCC[C@H](NC(=O)C1=CC=CN=C1N1CCOCC1)C1=N[N-]N=N1	REAL300020162918	0	45	-1.0	-48.70	380.57	3.26	-45.44
CSCC[C@H](NC(=O)C1=CC=CN=C1N1CCOCC1)C1=NN=N[N-]1	REAL300020162918	1	45	-1.0	-48.78	380.62	3.28	-45.50
CSCC[C@H](NC(=O)CC1C(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162919	0	41	-1.0	-58.50	359.40	4.43	-54.07
CSCC[C@H](NC(=O)CC1C(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162919	1	41	-1.0	-58.53	359.46	4.44	-54.09
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1)C1=NN=N[N-]1	REAL300020162920	0	40	-1.0	-52.67	371.35	5.95	-46.72
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1)C1=N[N-]N=N1	REAL300020162920	1	40	-1.0	-52.65	371.29	5.93	-46.72
CSCC[C@H](NC(=O)C=CC1=CSC=N1)C1=N[N-]N=N1	REAL300020162921	0	33	-1.0	-47.73	318.48	2.48	-45.25
CSCC[C@H](NC(=O)C=CC1=CSC=N1)C1=NN=N[N-]1	REAL300020162921	1	33	-1.0	-47.79	318.53	2.50	-45.29
CCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020162922	0	38	-1.0	-44.74	345.13	3.33	-41.41
CCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020162922	1	38	-1.0	-44.72	345.19	3.34	-41.38
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=C2Cl)S1)C1=NN=N[N-]1	REAL300020162923	0	39	-1.0	-47.82	376.73	5.94	-41.88
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=C2Cl)S1)C1=N[N-]N=N1	REAL300020162923	1	39	-1.0	-47.85	376.67	5.92	-41.93
COC1=CC=C(Cl)C=C1NCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162924	0	42	-1.0	-45.89	380.16	2.98	-42.91
COC1=CC=C(Cl)C=C1NCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162924	1	42	-1.0	-45.88	380.22	2.99	-42.89
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300020162925	0	47	-1.0	-49.28	405.61	7.16	-42.12
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300020162925	1	47	-1.0	-49.33	405.67	7.18	-42.15
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020162926	0	48	0.0	-66.06	398.13	5.70	-60.36
CCN(CC)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020162926	1	47	-1.0	-45.47	391.75	3.20	-42.27
CCN(CC)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020162926	1	47	-1.0	-45.50	391.80	3.22	-42.28
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)C(F)=C1)C1=N[N-]N=N1	REAL300020162927	0	41	-1.0	-46.62	358.21	3.64	-42.98
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)C(F)=C1)C1=NN=N[N-]1	REAL300020162927	1	41	-1.0	-46.60	358.27	3.65	-42.95
CSCC[C@H](NC(=O)CCCOC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020162928	0	43	-1.0	-51.09	389.56	5.71	-45.38
CSCC[C@H](NC(=O)CCCOC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020162928	1	43	-1.0	-51.10	389.61	5.73	-45.37
CSCC[C@H](NC(=O)C1=NC(C(C)C)=NC=C1Cl)C1=N[N-]N=N1	REAL300020162929	0	40	-1.0	-43.17	365.85	3.85	-39.32
CSCC[C@H](NC(=O)C1=NC(C(C)C)=NC=C1Cl)C1=NN=N[N-]1	REAL300020162929	1	40	-1.0	-43.21	365.91	3.87	-39.34
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CO2)NC1=O)C1=NN=N[N-]1	REAL300020162930	0	40	-1.0	-55.37	359.52	3.05	-52.32
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CO2)NC1=O)C1=N[N-]N=N1	REAL300020162930	1	40	-1.0	-55.43	359.46	3.03	-52.40
CSCC[C@H](NC(=O)C(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020162931	0	35	-1.0	-45.93	323.08	1.70	-44.23
CSCC[C@H](NC(=O)C(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020162931	1	35	-1.0	-45.92	323.14	1.71	-44.21
CSCC[C@H](NC(=O)CCCOCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020162932	0	46	-1.0	-49.67	399.08	5.63	-44.04
CSCC[C@H](NC(=O)CCCOCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020162932	1	46	-1.0	-49.64	399.14	5.64	-44.00
CCCN(C)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162933	0	47	-1.0	-47.94	391.86	6.21	-41.73
CCCN(C)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162933	1	47	-1.0	-47.93	391.92	6.23	-41.70
CSCC[C@H](NC(=O)CN1C=C([N+](=O)[O-])N=C1C)C1=N[N-]N=N1	REAL300020162934	0	38	-1.0	-54.01	354.19	5.28	-48.73
CSCC[C@H](NC(=O)CN1C=C([N+](=O)[O-])N=C1C)C1=NN=N[N-]1	REAL300020162934	1	38	-1.0	-54.05	354.24	5.30	-48.75
CSCC[C@H](NC(=O)CCN1CCOCC1)C1=N[N-]N=N1	REAL300020162935	0	42	-1.0	-45.73	350.48	0.24	-45.49
CSCC[C@H](NC(=O)CCN1CCOCC1)C1=NN=N[N-]1	REAL300020162935	1	42	-1.0	-45.73	350.54	0.25	-45.48
CSCC[C@H](NC(=O)CC[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300020162935	1	43	0.0	-62.58	353.05	2.52	-60.06
CCC[N@H+](CC)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162936	0	54	0.0	-70.94	427.28	7.76	-63.18
CCC[N@@H+](CC)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162936	1	54	0.0	-72.87	433.57	8.10	-64.77
CCC[N@H+](CC)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162936	1	54	0.0	-70.98	427.34	7.77	-63.21
CCC[N@@H+](CC)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162936	1	54	0.0	-72.88	433.62	8.12	-64.76
CCCN(CC)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020162937	0	49	-1.0	-47.10	411.15	6.58	-40.52
CCCN(CC)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020162937	1	49	-1.0	-47.13	411.21	6.59	-40.54
COC1=CC=CC2=C1OCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)=C2	REAL300020162938	0	43	-1.0	-48.31	372.69	4.43	-43.88
COC1=CC=CC2=C1OCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)=C2	REAL300020162938	1	43	-1.0	-48.30	372.75	4.45	-43.85
CSCC[C@H](NC(=O)CC1=C(Cl)ON=C1C)C1=N[N-]N=N1	REAL300020162939	0	35	-1.0	-47.43	335.90	3.38	-44.05
CSCC[C@H](NC(=O)CC1=C(Cl)ON=C1C)C1=NN=N[N-]1	REAL300020162939	1	35	-1.0	-47.48	335.96	3.40	-44.08
CSCC[C@H](NC(=O)C1=C(C2=CC=C(F)C=C2)C=CS1)C1=N[N-]N=N1	REAL300020162940	0	40	-1.0	-46.14	370.10	6.77	-39.37
CSCC[C@H](NC(=O)C1=C(C2=CC=C(F)C=C2)C=CS1)C1=NN=N[N-]1	REAL300020162940	1	40	-1.0	-46.17	370.16	6.79	-39.38
CSCC[C@H](NC(=O)C1=CC=CC(CN2N=C(C)C=C2C)=C1)C1=N[N-]N=N1	REAL300020162941	0	49	-1.0	-47.72	419.14	6.64	-41.08
CSCC[C@H](NC(=O)C1=CC=CC(CN2N=C(C)C=C2C)=C1)C1=NN=N[N-]1	REAL300020162941	1	49	-1.0	-47.73	419.20	6.66	-41.07
CSCC[C@H](NC(=O)CCC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020162942	0	38	-1.0	-47.96	337.74	3.80	-44.16
CSCC[C@H](NC(=O)CCC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020162942	1	38	-1.0	-47.96	337.79	3.81	-44.15
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1N1C(C)=CC=C1C)C1=N[N-]N=N1	REAL300020162943	0	50	-1.0	-51.04	422.92	9.11	-41.93
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1N1C(C)=CC=C1C)C1=NN=N[N-]1	REAL300020162943	1	50	-1.0	-51.04	422.98	9.13	-41.91
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)S1)C1=N[N-]N=N1	REAL300020162944	0	35	-1.0	-47.39	345.77	-1.90	-49.29
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)S1)C1=NN=N[N-]1	REAL300020162944	1	35	-1.0	-47.40	345.82	-1.88	-49.28
CSCC[C@H](NC(=O)CN1C=CC2=CC([N+](=O)[O-])=CC=C21)C1=N[N-]N=N1	REAL300020162945	0	42	-1.0	-52.46	383.42	6.91	-45.55
CSCC[C@H](NC(=O)CN1C=CC2=CC([N+](=O)[O-])=CC=C21)C1=NN=N[N-]1	REAL300020162945	1	42	-1.0	-52.51	383.48	6.92	-45.59
CSCC[C@H](NC(=O)CC(C)C1CCCCC1)C1=N[N-]N=N1	REAL300020162946	0	48	-1.0	-45.21	376.84	6.15	-39.06
CSCC[C@H](NC(=O)CC(C)C1CCCCC1)C1=NN=N[N-]1	REAL300020162946	1	48	-1.0	-45.21	376.90	6.17	-39.04
CSCC[C@H](NC(=O)C1=C(C)SC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020162947	0	38	-1.0	-50.46	362.05	-1.22	-51.68
CSCC[C@H](NC(=O)C1=C(C)SC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020162947	1	38	-1.0	-50.41	362.11	-1.20	-51.61
CSCC[C@H](NC(=O)C1=CC(N)=NC(Cl)=C1)C1=NN=N[N-]1	REAL300020162948	0	34	-1.0	-43.22	324.81	1.50	-41.72
CSCC[C@H](NC(=O)C1=CC(N)=NC(Cl)=C1)C1=N[N-]N=N1	REAL300020162948	1	34	-1.0	-43.20	324.76	1.48	-41.72
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Br)=C1	REAL300020162949	0	37	-1.0	-46.43	343.19	4.02	-42.41
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Br)=C1	REAL300020162949	1	37	-1.0	-46.43	343.25	4.04	-42.39
COC1=CC(C2(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CCC2)=CC=C1C	REAL300020162950	0	50	-1.0	-49.59	414.41	6.42	-43.17
COC1=CC(C2(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CCC2)=CC=C1C	REAL300020162950	1	50	-1.0	-49.62	414.47	6.43	-43.19
CSCC[C@H](NC(=O)C(C)(C)N1C=C(Br)C=N1)C1=NN=N[N-]1	REAL300020162951	0	39	-1.0	-51.11	358.59	4.06	-47.05
CSCC[C@H](NC(=O)C(C)(C)N1C=C(Br)C=N1)C1=N[N-]N=N1	REAL300020162951	1	39	-1.0	-51.08	358.53	4.04	-47.04
CSCC[C@H](NC(=O)C1CSCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020162952	0	48	-1.0	-55.76	408.71	4.74	-51.02
CSCC[C@H](NC(=O)C1CSCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020162952	1	48	-1.0	-55.74	408.77	4.76	-50.98
CSCC[C@H](NC(=O)C1=CC2=C(Br)C=CC=C2N1)C1=N[N-]N=N1	REAL300020162953	0	37	-1.0	-46.95	352.28	4.62	-42.33
CSCC[C@H](NC(=O)C1=CC2=C(Br)C=CC=C2N1)C1=NN=N[N-]1	REAL300020162953	1	37	-1.0	-46.98	352.34	4.63	-42.35
CSCC[C@H](NC(=O)CC1=CNC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL300020162954	0	40	-1.0	-51.40	360.48	4.89	-46.51
CSCC[C@H](NC(=O)CC1=CNC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL300020162954	1	40	-1.0	-51.42	360.53	4.90	-46.52
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020162955	0	39	-1.0	-45.02	352.98	4.82	-40.20
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020162955	1	39	-1.0	-45.05	353.04	4.84	-40.21
CSCC[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020162956	0	52	0.0	-68.21	418.79	7.73	-60.48
CSCC[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020162956	1	52	0.0	-68.19	418.85	7.75	-60.44
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020162957	0	43	-1.0	-46.32	377.31	5.14	-41.18
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020162957	1	43	-1.0	-46.35	377.37	5.15	-41.20
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)N=C1)C1=NN=N[N-]1	REAL300020162958	0	36	-1.0	-45.53	329.50	-0.85	-46.38
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)N=C1)C1=N[N-]N=N1	REAL300020162958	1	36	-1.0	-45.53	329.44	-0.86	-46.39
CCCC1=NNC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162959	0	39	-1.0	-48.69	340.72	2.62	-46.07
CCCC1=NNC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162959	1	39	-1.0	-48.66	340.77	2.63	-46.03
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)N(C)C)C1=N[N-]N=N1	REAL300020162960	0	44	-1.0	-47.04	373.12	3.80	-43.24
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)N(C)C)C1=NN=N[N-]1	REAL300020162960	1	44	-1.0	-47.03	373.17	3.81	-43.22
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300020162960	1	45	0.0	-56.23	372.44	6.01	-50.22
CSCC[C@H](NC(=O)C(C)OC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020162961	0	40	-1.0	-46.76	361.21	5.34	-41.42
CSCC[C@H](NC(=O)C(C)OC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020162961	1	40	-1.0	-46.78	361.27	5.36	-41.42
CSCC[C@H](NC(=O)C1=CC=CN1CC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020162962	0	43	-1.0	-51.17	374.09	5.56	-45.61
CSCC[C@H](NC(=O)C1=CC=CN1CC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020162962	1	43	-1.0	-51.18	374.17	5.56	-45.62
CC[N@H+](CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1)C(C)C	REAL300020162963	0	54	0.0	-71.16	417.05	7.44	-63.72
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1)C(C)C	REAL300020162963	1	54	0.0	-68.95	415.27	7.16	-61.79
CC[N@H+](CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1)C(C)C	REAL300020162963	1	54	0.0	-71.23	417.10	7.45	-63.78
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1)C(C)C	REAL300020162963	1	54	0.0	-68.92	415.33	7.18	-61.74
CCCNC(=O)NC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162964	0	51	-1.0	-55.07	436.37	3.88	-51.19
CCCNC(=O)NC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162964	1	51	-1.0	-55.07	436.43	3.90	-51.17
CSCC[C@H](NC(=O)C1(C(F)(F)F)CC1)C1=N[N-]N=N1	REAL300020162965	0	33	-1.0	-45.76	308.89	3.47	-42.29
CSCC[C@H](NC(=O)C1(C(F)(F)F)CC1)C1=NN=N[N-]1	REAL300020162965	1	33	-1.0	-45.77	308.95	3.49	-42.28
CSCC[C@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C1=N[N-]N=N1	REAL300020162966	0	50	-1.0	-55.75	414.67	1.34	-54.41
CSCC[C@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C1=NN=N[N-]1	REAL300020162966	1	50	-1.0	-55.78	414.73	1.36	-54.42
CCN1N=C(C)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162967	0	39	-1.0	-44.16	341.35	3.26	-40.90
CCN1N=C(C)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162967	1	39	-1.0	-44.15	341.40	3.27	-40.88
COCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020162968	0	46	-1.0	-45.02	401.73	1.63	-43.39
COCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020162968	1	46	-1.0	-45.02	401.67	1.62	-43.40
CSCC[C@H](NC(=O)C1(C)CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020162969	0	46	-1.0	-45.04	369.20	6.89	-38.15
CSCC[C@H](NC(=O)C1(C)CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020162969	1	46	-1.0	-45.08	369.26	6.90	-38.18
CSCC[C@H](NC(=O)COC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020162970	0	36	-1.0	-49.13	326.01	2.88	-46.25
CSCC[C@H](NC(=O)COC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020162970	1	36	-1.0	-49.08	325.95	2.87	-46.21
CSCC[C@H](NC(=O)C1=CC(C)=C(C2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL300020162971	0	43	-1.0	-45.39	395.19	7.49	-37.90
CSCC[C@H](NC(=O)C1=CC(C)=C(C2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL300020162971	1	43	-1.0	-45.42	395.25	7.50	-37.92
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CO2)N=C1C)C1=NN=N[N-]1	REAL300020162972	0	42	-1.0	-46.79	370.47	4.74	-42.05
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CO2)N=C1C)C1=N[N-]N=N1	REAL300020162972	1	42	-1.0	-46.80	370.41	4.73	-42.07
CSCC[C@H](NC(=O)C1=CC=C(C2=CSC=C2)N=C1C)C1=NN=N[N-]1	REAL300020162973	0	42	-1.0	-47.21	376.37	5.53	-41.68
CSCC[C@H](NC(=O)C1=CC=C(C2=CSC=C2)N=C1C)C1=N[N-]N=N1	REAL300020162973	1	42	-1.0	-47.24	376.32	5.51	-41.73
CSCC[C@H](NC(=O)C1=CSC(CC2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL300020162974	0	42	-1.0	-48.07	394.53	5.64	-42.43
CSCC[C@H](NC(=O)C1=CSC(CC2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL300020162974	1	42	-1.0	-48.09	394.59	5.65	-42.44
CSCC[C@H](NC(=O)CC1=CNC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL300020162975	0	43	-1.0	-53.15	375.44	5.47	-47.68
CSCC[C@H](NC(=O)CC1=CNC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL300020162975	1	43	-1.0	-53.13	375.50	5.49	-47.64
CSCC[C@H](NC(=O)C1CCCCC1C(=O)N1CCCC1)C1=N[N-]N=N1	REAL300020162976	0	53	-1.0	-51.07	412.03	6.18	-44.89
CSCC[C@H](NC(=O)C1CCCCC1C(=O)N1CCCC1)C1=NN=N[N-]1	REAL300020162976	1	53	-1.0	-51.14	412.09	6.19	-44.95
CSCC[C@H](NC(=O)C1CCN(CC2=CSC(C)=N2)CC1)C1=N[N-]N=N1	REAL300020162977	0	50	-1.0	-51.41	422.90	3.04	-48.37
CSCC[C@H](NC(=O)C1CCN(CC2=CSC(C)=N2)CC1)C1=NN=N[N-]1	REAL300020162977	1	50	-1.0	-51.42	422.96	3.06	-48.36
CSCC[C@H](NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C1=NN=N[N-]1	REAL300020162977	1	51	0.0	-67.86	425.87	5.44	-62.42
CSCC[C@H](NC(=O)CCN1C=CNC(=O)C1=O)C1=N[N-]N=N1	REAL300020162978	0	39	-1.0	-53.37	353.03	1.81	-51.56
CSCC[C@H](NC(=O)CCN1C=CNC(=O)C1=O)C1=NN=N[N-]1	REAL300020162978	1	39	-1.0	-53.37	353.08	1.82	-51.55
CSCC[C@H](NC(=O)CCN1C=C[N-]C(=O)C1=O)C1=N[N-]N=N1	REAL300020162978	1	38	-2.0	-91.87	349.62	0.69	-91.18
CSCC[C@H](NC(=O)CCN1C=C[N-]C(=O)C1=O)C1=NN=N[N-]1	REAL300020162978	1	38	-2.0	-91.89	349.68	0.70	-91.19
CCC(C)C(=O)N1CCCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020162979	0	52	-1.0	-50.47	416.51	5.08	-45.39
CCC(C)C(=O)N1CCCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020162979	1	52	-1.0	-50.52	416.57	5.10	-45.42
CSCC[C@H](NC(=O)C1=CC=C(F)C(NS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020162980	0	41	-1.0	-52.59	376.46	0.87	-51.72
CSCC[C@H](NC(=O)C1=CC=C(F)C(NS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020162980	1	41	-1.0	-52.59	376.52	0.89	-51.70
CSCC[C@H](NC(=O)CCNC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL300020162981	0	49	-1.0	-54.05	404.42	3.47	-50.58
CSCC[C@H](NC(=O)CCNC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL300020162981	1	49	-1.0	-54.05	404.48	3.48	-50.57
CSCC[C@H](NC(=O)C1=CC=C(CS(C)(=O)=O)O1)C1=N[N-]N=N1	REAL300020162982	0	39	-1.0	-61.37	367.30	0.47	-60.90
CSCC[C@H](NC(=O)C1=CC=C(CS(C)(=O)=O)O1)C1=NN=N[N-]1	REAL300020162982	1	39	-1.0	-61.32	367.35	0.48	-60.84
CSCC[C@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C1=N[N-]N=N1	REAL300020162983	0	56	-1.0	-47.54	442.15	5.77	-41.77
CSCC[C@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C1=NN=N[N-]1	REAL300020162983	1	56	-1.0	-47.56	442.21	5.79	-41.77
CCC1=NNC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020162984	0	38	-1.0	-47.90	352.65	2.70	-45.20
CCC1=NNC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020162984	1	38	-1.0	-47.89	352.71	2.71	-45.18
CSCC[C@H](NC(=O)C1=CC=C(N2C=NN=C2)C=C1)C1=NN=N[N-]1	REAL300020162985	0	39	-1.0	-50.75	348.35	7.07	-43.68
CSCC[C@H](NC(=O)C1=CC=C(N2C=NN=C2)C=C1)C1=N[N-]N=N1	REAL300020162985	1	39	-1.0	-50.76	348.30	7.06	-43.70
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300020162986	0	38	-1.0	-42.40	341.77	5.42	-36.98
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300020162986	1	38	-1.0	-42.36	341.82	5.43	-36.93
CSCC[C@H](NC(=O)C(C)C1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020162987	0	39	-1.0	-45.59	359.59	5.99	-39.60
CSCC[C@H](NC(=O)C(C)C1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020162987	1	39	-1.0	-45.63	359.64	6.01	-39.62
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2C)CCCCC1)C1=N[N-]N=N1	REAL300020162988	0	52	-1.0	-47.17	399.10	7.69	-39.48
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2C)CCCCC1)C1=NN=N[N-]1	REAL300020162988	1	52	-1.0	-47.18	399.16	7.71	-39.47
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CN(C)C(C)=N1)C1=N[N-]N=N1	REAL300020162989	0	44	-1.0	-56.96	399.78	-0.65	-57.61
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CN(C)C(C)=N1)C1=NN=N[N-]1	REAL300020162989	1	44	-1.0	-56.99	399.84	-0.64	-57.63
CCN(CC)C(=O)CCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162990	0	48	-1.0	-57.01	402.81	4.75	-52.26
CCN(CC)C(=O)CCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162990	1	48	-1.0	-56.99	402.86	4.77	-52.22
COCCS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020162991	0	46	-1.0	-50.53	413.32	1.60	-48.93
COCCS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020162991	1	46	-1.0	-50.53	413.37	1.61	-48.92
CSCC[C@H](NC(=O)CNC(=O)CC1CCCC1)C1=N[N-]N=N1	REAL300020162992	0	46	-1.0	-43.82	384.31	2.90	-40.92
CSCC[C@H](NC(=O)CNC(=O)CC1CCCC1)C1=NN=N[N-]1	REAL300020162992	1	46	-1.0	-43.85	384.37	2.91	-40.94
CSCC[C@H](NC(=O)C1CCN(C(=O)OCC(C)C)CC1)C1=N[N-]N=N1	REAL300020162993	0	53	-1.0	-47.24	434.60	5.38	-41.86
CSCC[C@H](NC(=O)C1CCN(C(=O)OCC(C)C)CC1)C1=NN=N[N-]1	REAL300020162993	1	53	-1.0	-47.28	434.66	5.40	-41.88
CSCC[C@H](NC(=O)CCN(CC1=CC=CC=C1)C(C)=O)C1=N[N-]N=N1	REAL300020162994	0	49	-1.0	-46.34	418.28	6.06	-40.28
CSCC[C@H](NC(=O)CCN(CC1=CC=CC=C1)C(C)=O)C1=NN=N[N-]1	REAL300020162994	1	49	-1.0	-46.37	418.34	6.07	-40.30
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)=O)C1)C1=N[N-]N=N1	REAL300020162995	0	47	-1.0	-48.79	410.79	5.26	-43.53
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)=O)C1)C1=NN=N[N-]1	REAL300020162995	1	47	-1.0	-48.79	410.84	5.28	-43.51
CSCC[C@H](NC(=O)C1(C2=CC=C(Cl)C=C2)CCCCC1)C1=N[N-]N=N1	REAL300020162996	0	49	-1.0	-46.17	406.88	7.88	-38.29
CSCC[C@H](NC(=O)C1(C2=CC=C(Cl)C=C2)CCCCC1)C1=NN=N[N-]1	REAL300020162996	1	49	-1.0	-46.12	406.93	7.90	-38.22
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC1CC1)C1=N[N-]N=N1	REAL300020162997	0	44	-1.0	-52.71	378.39	7.13	-45.58
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC1CC1)C1=NN=N[N-]1	REAL300020162997	1	44	-1.0	-52.74	378.44	7.14	-45.60
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(C)=C2)N=N1)C1=NN=N[N-]1	REAL300020162998	0	42	-1.0	-46.56	376.35	4.46	-42.10
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(C)=C2)N=N1)C1=N[N-]N=N1	REAL300020162998	1	42	-1.0	-46.57	376.29	4.44	-42.13
CSCC[C@H](NC(=O)C1=CSC(C2=C(F)C=CC=C2F)=N1)C1=NN=N[N-]1	REAL300020162999	0	39	-1.0	-50.67	373.01	5.12	-45.55
CSCC[C@H](NC(=O)C1=CSC(C2=C(F)C=CC=C2F)=N1)C1=N[N-]N=N1	REAL300020162999	1	39	-1.0	-50.70	372.95	5.11	-45.59
CCC(C)N1N=CC2=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C(C)N=C21	REAL300020163000	0	50	-1.0	-47.76	422.03	5.96	-41.80
CCC(C)N1N=CC2=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C(C)N=C21	REAL300020163000	1	50	-1.0	-47.78	422.09	5.97	-41.81
CSCC[C@H](NC(=O)CC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300020163001	0	36	-1.0	-47.59	343.45	5.38	-42.21
CSCC[C@H](NC(=O)CC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300020163001	1	36	-1.0	-47.58	343.51	5.39	-42.19
CSCC[C@H](NC(=O)CC1=C(C)OC(C2=CC=CO2)=N1)C1=NN=N[N-]1	REAL300020163002	0	42	-1.0	-59.00	380.09	1.84	-57.16
CSCC[C@H](NC(=O)CC1=C(C)OC(C2=CC=CO2)=N1)C1=N[N-]N=N1	REAL300020163002	1	42	-1.0	-59.04	380.03	1.83	-57.21
COC1=CC=C(C2(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CCC2)C=C1	REAL300020163003	0	47	-1.0	-50.99	394.64	5.62	-45.37
COC1=CC=C(C2(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CCC2)C=C1	REAL300020163003	1	47	-1.0	-50.97	394.70	5.64	-45.33
CSCC[C@H](NC(=O)CCC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300020163004	0	39	-1.0	-43.60	375.48	6.54	-37.06
CSCC[C@H](NC(=O)CCC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300020163004	1	39	-1.0	-43.59	375.53	6.55	-37.04
CSCC[C@H](NC(=O)C1=CC=C(OCC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020163005	0	46	-1.0	-45.28	406.46	4.82	-40.46
CSCC[C@H](NC(=O)C1=CC=C(OCC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020163005	1	46	-1.0	-45.26	406.41	4.80	-40.46
CSCC[C@H](NC(=O)C1=CN=C(C2=NC=CC=N2)S1)C1=N[N-]N=N1	REAL300020163006	0	37	-1.0	-50.43	356.17	2.37	-48.06
CSCC[C@H](NC(=O)C1=CN=C(C2=NC=CC=N2)S1)C1=NN=N[N-]1	REAL300020163006	1	37	-1.0	-50.47	356.23	2.38	-48.09
CCN1C=C(Br)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163007	0	37	-1.0	-45.08	345.58	5.03	-40.05
CCN1C=C(Br)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163007	1	37	-1.0	-45.05	345.63	5.04	-40.01
CSCC[C@H](NC(=O)CNC(=O)CCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020163008	0	49	-1.0	-44.75	423.93	4.75	-40.00
CSCC[C@H](NC(=O)CNC(=O)CCC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020163008	1	49	-1.0	-44.70	423.99	4.76	-39.94
CSCC[C@H](NC(=O)C(C)N1C(=O)NC2(CCCC2)C1=O)C1=N[N-]N=N1	REAL300020163009	0	48	-1.0	-51.79	401.54	2.93	-48.86
CSCC[C@H](NC(=O)C(C)N1C(=O)NC2(CCCC2)C1=O)C1=NN=N[N-]1	REAL300020163009	1	48	-1.0	-51.80	401.60	2.94	-48.86
CSCC[C@H](NC(=O)C1=CC=NC(OC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020163010	0	43	-1.0	-48.74	384.42	4.48	-44.26
CSCC[C@H](NC(=O)C1=CC=NC(OC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020163010	1	43	-1.0	-48.71	384.36	4.46	-44.25
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300020163011	0	33	-1.0	-52.30	308.38	4.23	-48.07
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL300020163011	1	33	-1.0	-52.30	308.44	4.24	-48.06
CSCC[C@H](NC(=O)C1=C(COC2=CC=CC(C#N)=C2)C=CO1)C1=N[N-]N=N1	REAL300020163012	0	45	-1.0	-45.64	411.06	5.83	-39.81
CSCC[C@H](NC(=O)C1=C(COC2=CC=CC(C#N)=C2)C=CO1)C1=NN=N[N-]1	REAL300020163012	1	45	-1.0	-45.66	411.12	5.84	-39.82
CCN1N=C(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020163013	0	42	-1.0	-46.29	366.78	3.68	-42.61
CCN1N=C(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020163013	1	42	-1.0	-46.33	366.84	3.70	-42.63
CSCC[C@H](NC(=O)CC1=C(C)OC(C2=CSC=C2)=N1)C1=NN=N[N-]1	REAL300020163014	0	42	-1.0	-55.73	388.77	2.77	-52.96
CSCC[C@H](NC(=O)CC1=C(C)OC(C2=CSC=C2)=N1)C1=N[N-]N=N1	REAL300020163014	1	42	-1.0	-55.70	388.72	2.75	-52.95
CSCC[C@H](NC(=O)CCC1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300020163015	0	39	-1.0	-45.82	355.31	5.65	-40.17
CSCC[C@H](NC(=O)CCC1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL300020163015	1	39	-1.0	-45.79	355.36	5.67	-40.12
CSCC[C@H](NC(=O)CC1CCCC(C)C1)C1=N[N-]N=N1	REAL300020163016	0	45	-1.0	-45.43	355.80	5.42	-40.01
CSCC[C@H](NC(=O)CC1CCCC(C)C1)C1=NN=N[N-]1	REAL300020163016	1	45	-1.0	-45.40	355.85	5.44	-39.96
COC1=CC=CC=C1C1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCC1	REAL300020163017	0	47	-1.0	-51.38	393.50	5.74	-45.64
COC1=CC=CC=C1C1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCC1	REAL300020163017	1	47	-1.0	-51.37	393.56	5.76	-45.61
CSCC[C@H](NC(=O)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020163018	0	37	-1.0	-47.29	343.01	5.15	-42.14
CSCC[C@H](NC(=O)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020163018	1	37	-1.0	-47.22	343.07	5.17	-42.05
CSCC[C@H](NC(=O)CCN1N=C(C)C([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020163019	0	44	-1.0	-43.59	397.00	4.54	-39.05
CSCC[C@H](NC(=O)CCN1N=C(C)C([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020163019	1	44	-1.0	-43.53	397.06	4.55	-38.98
COC1=CC=CC=C1C1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020163020	0	44	-1.0	-49.62	380.14	5.31	-44.31
COC1=CC=CC=C1C1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020163020	1	44	-1.0	-49.63	380.20	5.32	-44.31
CSCC[C@H](NC(=O)C1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL300020163021	0	36	-1.0	-48.15	331.68	5.00	-43.15
CSCC[C@H](NC(=O)C1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL300020163021	1	36	-1.0	-48.14	331.74	5.01	-43.13
CSCC[C@H](NC(=O)C(OC1CCCC1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163022	0	50	-1.0	-51.00	418.35	7.85	-43.15
CSCC[C@H](NC(=O)C(OC1CCCC1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163022	1	50	-1.0	-51.05	418.40	7.87	-43.18
CSCC[C@H](NC(=O)CCCCC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020163023	0	57	-1.0	-45.91	462.76	9.45	-36.46
CSCC[C@H](NC(=O)CCCCC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020163023	1	57	-1.0	-45.89	462.81	9.47	-36.42
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2C)CC1)C1=N[N-]N=N1	REAL300020163024	0	43	-1.0	-47.47	366.59	6.36	-41.11
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2C)CC1)C1=NN=N[N-]1	REAL300020163024	1	43	-1.0	-47.47	366.65	6.38	-41.09
CCCCCCCCCC=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163025	0	54	-1.0	-45.08	447.30	8.61	-36.47
CCCCCCCCCC=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163025	1	54	-1.0	-45.09	447.35	8.63	-36.46
CSCC[C@H](NC(=O)C1=C2C=CN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300020163026	0	40	-1.0	-53.83	349.11	5.83	-48.00
CSCC[C@H](NC(=O)C1=C2C=CN(C)C2=CC=C1)C1=N[N-]N=N1	REAL300020163026	1	40	-1.0	-53.85	349.06	5.82	-48.03
CSCC[C@H](NC(=O)C1=CSC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300020163027	0	41	-1.0	-46.85	366.86	3.64	-43.21
CSCC[C@H](NC(=O)C1=CSC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300020163027	1	41	-1.0	-46.85	366.80	3.63	-43.22
CSCC[C@H](NC(=O)C1=CSC(C(C)C)=N1)C1=N[N-]N=N1	REAL300020163028	0	38	-1.0	-46.67	347.86	3.11	-43.56
CSCC[C@H](NC(=O)C1=CSC(C(C)C)=N1)C1=NN=N[N-]1	REAL300020163028	1	38	-1.0	-46.70	347.92	3.12	-43.58
CSCC[C@H](NC(=O)C1=CC=C(N2CCCC2)N=N1)C1=NN=N[N-]1	REAL300020163029	0	43	-1.0	-45.31	368.92	2.75	-42.56
CSCC[C@H](NC(=O)C1=CC=C(N2CCCC2)N=N1)C1=N[N-]N=N1	REAL300020163029	1	43	-1.0	-45.31	368.86	2.74	-42.57
CSCC[C@H](NC(=O)CNC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020163030	0	38	-1.0	-44.64	351.78	3.58	-41.06
CSCC[C@H](NC(=O)CNC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020163030	1	38	-1.0	-44.61	351.84	3.59	-41.02
CSCC[C@H](NC(=O)C(C)(C)N1C=C([N+](=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020163031	0	41	-1.0	-51.94	367.07	4.17	-47.77
CSCC[C@H](NC(=O)C(C)(C)N1C=C([N+](=O)[O-])C=N1)C1=N[N-]N=N1	REAL300020163031	1	41	-1.0	-51.95	367.01	4.15	-47.80
CSCC[C@H](NC(=O)C1=CC(C)=CC2=CNN=C21)C1=NN=N[N-]1	REAL300020163032	0	39	-1.0	-60.76	345.47	3.55	-57.21
CSCC[C@H](NC(=O)C1=CC(C)=CC2=CNN=C21)C1=N[N-]N=N1	REAL300020163032	1	39	-1.0	-60.78	345.41	3.54	-57.24
CCC(CC)(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020163033	0	48	-1.0	-48.16	396.43	7.02	-41.14
CCC(CC)(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020163033	1	48	-1.0	-48.12	396.49	7.04	-41.08
CSCC[C@H](NC(=O)C(C)NC(=O)C1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL300020163034	0	46	-1.0	-45.47	403.13	2.13	-43.34
CSCC[C@H](NC(=O)C(C)NC(=O)C1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL300020163034	1	46	-1.0	-45.46	403.18	2.14	-43.32
COC(=O)CSCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163035	0	39	-1.0	-46.75	362.14	3.93	-42.82
COC(=O)CSCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163035	1	39	-1.0	-46.75	362.19	3.95	-42.80
CSCC[C@H](NC(=O)CCNC(=O)C1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL300020163036	0	46	-1.0	-56.23	405.69	1.91	-54.32
CSCC[C@H](NC(=O)CCNC(=O)C1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL300020163036	1	46	-1.0	-56.21	405.74	1.93	-54.28
CSCC[C@H](NC(=O)C(C)NC(=O)CC1CCCCC1)C1=N[N-]N=N1	REAL300020163037	0	52	-1.0	-42.40	420.52	4.38	-38.02
CSCC[C@H](NC(=O)C(C)NC(=O)CC1CCCCC1)C1=NN=N[N-]1	REAL300020163037	1	52	-1.0	-42.45	420.58	4.39	-38.06
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1CCCCC1)C1=N[N-]N=N1	REAL300020163038	0	49	-1.0	-50.40	403.76	5.65	-44.75
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1CCCCC1)C1=NN=N[N-]1	REAL300020163038	1	49	-1.0	-50.43	403.82	5.66	-44.77
CSCC[C@H](NC(=O)CNC(=O)CCC1CCCC1)C1=N[N-]N=N1	REAL300020163039	0	49	-1.0	-43.76	406.82	3.66	-40.10
CSCC[C@H](NC(=O)CNC(=O)CCC1CCCC1)C1=NN=N[N-]1	REAL300020163039	1	49	-1.0	-43.78	406.88	3.68	-40.10
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020163040	0	43	-1.0	-48.73	376.60	5.84	-42.89
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020163040	1	43	-1.0	-48.76	376.65	5.86	-42.90
CSCC[C@H](NC(=O)C(C)N1CCOCC1)C1=N[N-]N=N1	REAL300020163041	0	42	-1.0	-45.68	340.57	0.07	-45.61
CSCC[C@H](NC(=O)C(C)N1CCOCC1)C1=NN=N[N-]1	REAL300020163041	1	42	-1.0	-45.65	340.62	0.10	-45.55
CSCC[C@H](NC(=O)CSC1=NC=CN1C(C)(C)C)C1=N[N-]N=N1	REAL300020163042	0	46	-1.0	-47.45	396.81	5.36	-42.09
CSCC[C@H](NC(=O)CSC1=NC=CN1C(C)(C)C)C1=NN=N[N-]1	REAL300020163042	1	46	-1.0	-47.43	396.86	5.37	-42.06
CSCC[C@H](NC(=O)CCCN1C=CN=C1C)C1=N[N-]N=N1	REAL300020163043	0	42	-1.0	-52.17	365.28	4.93	-47.24
CSCC[C@H](NC(=O)CCCN1C=CN=C1C)C1=NN=N[N-]1	REAL300020163043	1	42	-1.0	-52.22	365.33	4.95	-47.27
CSCC[C@H](NC(=O)CCCN1C=C[NH+]=C1C)C1=N[N-]N=N1	REAL300020163043	1	43	0.0	-59.07	368.70	5.41	-53.66
CSCC[C@H](NC(=O)CCCN1C=C[NH+]=C1C)C1=NN=N[N-]1	REAL300020163043	1	43	0.0	-59.05	368.76	5.42	-53.63
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300020163044	0	42	-1.0	-49.88	374.09	6.32	-43.56
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300020163044	1	42	-1.0	-49.87	374.15	6.33	-43.54
CSCC[C@H](NC(=O)[C@@H]1CC2=CC=CC=C2N1C(C)=O)C1=N[N-]N=N1	REAL300020163045	0	44	-1.0	-52.87	375.91	4.96	-47.91
CSCC[C@H](NC(=O)[C@@H]1CC2=CC=CC=C2N1C(C)=O)C1=NN=N[N-]1	REAL300020163045	1	44	-1.0	-52.87	375.97	4.97	-47.90
CSCC[C@H](NC(=O)C(C)(C)NC(C)=O)C1=N[N-]N=N1	REAL300020163046	0	39	-1.0	-43.43	332.39	0.98	-42.45
CSCC[C@H](NC(=O)C(C)(C)NC(C)=O)C1=NN=N[N-]1	REAL300020163046	1	39	-1.0	-43.41	332.44	0.99	-42.42
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1)C1=N[N-]N=N1	REAL300020163047	0	46	-1.0	-54.75	404.60	7.05	-47.70
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1)C1=NN=N[N-]1	REAL300020163047	1	46	-1.0	-54.73	404.66	7.06	-47.67
CSCC[C@H](NC(=O)CC1=CSC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300020163048	0	44	-1.0	-47.22	388.90	4.25	-42.97
CSCC[C@H](NC(=O)CC1=CSC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300020163048	1	44	-1.0	-47.24	388.96	4.27	-42.97
CSCC[C@H](NC(=O)CC(C)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020163049	0	42	-1.0	-50.38	362.04	6.03	-44.35
CSCC[C@H](NC(=O)CC(C)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020163049	1	42	-1.0	-50.37	362.09	6.05	-44.32
CSCC[C@H](NC(=O)C(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020163050	0	35	-1.0	-39.44	334.79	4.44	-35.00
CSCC[C@H](NC(=O)C(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020163050	1	35	-1.0	-39.44	334.84	4.45	-34.99
CSCC[C@H](NC(=O)C1=CN=C(CC2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL300020163051	0	42	-1.0	-47.27	394.44	5.79	-41.48
CSCC[C@H](NC(=O)C1=CN=C(CC2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL300020163051	1	42	-1.0	-47.25	394.50	5.81	-41.44
CSCC[C@H](NC(=O)CN1C2=CC=CC=C2CCCC1=O)C1=N[N-]N=N1	REAL300020163052	0	47	-1.0	-55.45	392.80	6.06	-49.39
CSCC[C@H](NC(=O)CN1C2=CC=CC=C2CCCC1=O)C1=NN=N[N-]1	REAL300020163052	1	47	-1.0	-55.42	392.86	6.08	-49.34
CSCC[C@H](NC(=O)CN1C=C([N+](=O)[O-])C=CC1=O)C1=N[N-]N=N1	REAL300020163053	0	38	-1.0	-48.75	354.55	4.02	-44.73
CSCC[C@H](NC(=O)CN1C=C([N+](=O)[O-])C=CC1=O)C1=NN=N[N-]1	REAL300020163053	1	38	-1.0	-48.75	354.61	4.04	-44.71
CSCC[C@H](NC(=O)CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020163054	0	36	-1.0	-47.67	338.89	5.27	-42.40
CSCC[C@H](NC(=O)CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020163054	1	36	-1.0	-47.69	338.95	5.29	-42.40
CSCC[C@H](NC(=O)C(C)[NH+]1C(C)CCC1C)C1=NN=N[N-]1	REAL300020163055	0	48	0.0	-51.94	368.47	4.88	-47.06
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C=NN2C1CCCC1)C1=NN=N[N-]1	REAL300020163056	0	48	-1.0	-45.99	407.67	6.17	-39.82
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C=NN2C1CCCC1)C1=N[N-]N=N1	REAL300020163056	1	48	-1.0	-45.95	407.61	6.16	-39.79
CSCC[C@H](NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)O1)C1=NN=N[N-]1	REAL300020163057	0	40	-1.0	-49.74	383.17	4.46	-45.28
CSCC[C@H](NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)O1)C1=N[N-]N=N1	REAL300020163057	1	40	-1.0	-49.75	383.12	4.45	-45.30
CSCC[C@H](NC(=O)C1=CN=C2SN=C(C)C2=C1)C1=N[N-]N=N1	REAL300020163058	0	37	-1.0	-43.27	344.73	2.92	-40.35
CSCC[C@H](NC(=O)C1=CN=C2SN=C(C)C2=C1)C1=NN=N[N-]1	REAL300020163058	1	37	-1.0	-43.22	344.79	2.94	-40.28
COC1=CC(Br)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163059	0	37	-1.0	-47.86	346.13	5.25	-42.61
COC1=CC(Br)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163059	1	37	-1.0	-47.91	346.19	5.27	-42.64
CSCC[C@H](NC(=O)CNC(=O)CC1CCCCC1)C1=N[N-]N=N1	REAL300020163060	0	49	-1.0	-43.75	400.96	3.53	-40.22
CSCC[C@H](NC(=O)CNC(=O)CC1CCCCC1)C1=NN=N[N-]1	REAL300020163060	1	49	-1.0	-43.73	401.02	3.54	-40.19
CSCC[C@H](NC(=O)C(C)C1=C(C)ON=C1C)C1=N[N-]N=N1	REAL300020163061	0	41	-1.0	-47.98	349.48	3.94	-44.04
CSCC[C@H](NC(=O)C(C)C1=C(C)ON=C1C)C1=NN=N[N-]1	REAL300020163061	1	41	-1.0	-47.99	349.53	3.96	-44.03
CSCC[C@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C1=N[N-]N=N1	REAL300020163062	0	42	-1.0	-42.49	357.09	1.37	-41.12
CSCC[C@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C1=NN=N[N-]1	REAL300020163062	1	42	-1.0	-42.48	357.15	1.39	-41.09
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020163063	0	43	-1.0	-39.90	384.51	6.83	-33.07
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020163063	1	43	-1.0	-39.92	384.57	6.85	-33.07
CSCC[C@H](NC(=O)CC1=CC=CC=C1OC(C)C)C1=N[N-]N=N1	REAL300020163064	0	46	-1.0	-51.21	390.24	5.67	-45.54
CSCC[C@H](NC(=O)CC1=CC=CC=C1OC(C)C)C1=NN=N[N-]1	REAL300020163064	1	46	-1.0	-51.21	390.30	5.68	-45.53
CSCC[C@H](NC(=O)C1=CC=C(N2C=CN=C2)N=N1)C1=N[N-]N=N1	REAL300020163065	0	38	-1.0	-46.87	348.10	4.65	-42.22
CSCC[C@H](NC(=O)C1=CC=C(N2C=CN=C2)N=N1)C1=NN=N[N-]1	REAL300020163065	1	38	-1.0	-46.87	348.15	4.67	-42.20
CSCC[C@H](NC(=O)CC1=CN2C=CC=C(C)C2=N1)C1=N[N-]N=N1	REAL300020163066	0	42	-1.0	-56.17	369.48	5.97	-50.20
CSCC[C@H](NC(=O)CC1=CN2C=CC=C(C)C2=N1)C1=NN=N[N-]1	REAL300020163066	1	42	-1.0	-56.17	369.54	5.99	-50.18
CSCC[C@H](NC(=O)C1(C2=CC=CC(C)=C2)CCCC1)C1=N[N-]N=N1	REAL300020163067	0	49	-1.0	-46.32	396.83	7.94	-38.38
CSCC[C@H](NC(=O)C1(C2=CC=CC(C)=C2)CCCC1)C1=NN=N[N-]1	REAL300020163067	1	49	-1.0	-46.32	396.88	7.95	-38.37
CSCC[C@H](NC(=O)CC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020163068	0	39	-1.0	-47.24	343.56	5.43	-41.81
CSCC[C@H](NC(=O)CC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020163068	1	39	-1.0	-47.22	343.62	5.44	-41.78
CSCC[C@H](NC(=O)C1=CC(C)=NC2=NNC(C)=C21)C1=N[N-]N=N1	REAL300020163069	0	41	-1.0	-46.95	354.16	3.30	-43.65
CSCC[C@H](NC(=O)C1=CC(C)=NC2=NNC(C)=C21)C1=NN=N[N-]1	REAL300020163069	1	41	-1.0	-46.97	354.22	3.31	-43.66
CSCC[C@H](NC(=O)C1(C2=CC=C(C(C)C)C=C2)CCC1)C1=N[N-]N=N1	REAL300020163070	0	52	-1.0	-49.31	425.38	8.25	-41.06
CSCC[C@H](NC(=O)C1(C2=CC=C(C(C)C)C=C2)CCC1)C1=NN=N[N-]1	REAL300020163070	1	52	-1.0	-49.31	425.43	8.27	-41.04
CSCC[C@H](NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C1=N[N-]N=N1	REAL300020163071	0	46	-1.0	-48.09	404.27	8.73	-39.36
CSCC[C@H](NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C1=NN=N[N-]1	REAL300020163071	1	46	-1.0	-48.11	404.32	8.75	-39.36
COC1=CC=C(CCCCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163072	0	52	-1.0	-48.79	437.55	7.21	-41.58
COC1=CC=C(CCCCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163072	1	52	-1.0	-48.83	437.61	7.23	-41.60
CCSC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020163073	0	39	-1.0	-44.01	356.78	4.41	-39.60
CCSC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020163073	1	39	-1.0	-44.03	356.72	4.39	-39.64
CSCC[C@H](NC(=O)C1=CC=C(C(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL300020163074	0	43	-1.0	-48.60	367.40	3.89	-44.71
CSCC[C@H](NC(=O)C1=CC=C(C(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL300020163074	1	43	-1.0	-48.62	367.45	3.90	-44.72
CSCC[C@H](NC(=O)C1CCOC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163075	0	41	-1.0	-47.17	348.50	4.53	-42.64
CSCC[C@H](NC(=O)C1CCOC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163075	1	41	-1.0	-47.14	348.56	4.54	-42.60
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163076	0	55	-1.0	-42.86	436.97	4.15	-38.71
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163076	1	55	-1.0	-42.82	437.02	4.17	-38.65
CSCC[C@H](NC(=O)CCC1=NC(C2=NC=CC=N2)=NO1)C1=N[N-]N=N1	REAL300020163077	0	42	-1.0	-52.32	385.16	1.46	-50.86
CSCC[C@H](NC(=O)CCC1=NC(C2=NC=CC=N2)=NO1)C1=NN=N[N-]1	REAL300020163077	1	42	-1.0	-52.28	385.22	1.47	-50.81
CCCC(=O)N1CSCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163078	0	44	-1.0	-58.05	382.57	4.95	-53.10
CCCC(=O)N1CSCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163078	1	44	-1.0	-58.03	382.63	4.97	-53.06
CSCC[C@H](NC(=O)CCC1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020163079	0	43	-1.0	-45.09	389.55	5.36	-39.73
CSCC[C@H](NC(=O)CCC1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020163079	1	43	-1.0	-45.10	389.61	5.38	-39.72
CSCC[C@H](NC(=O)C1=CC=C(OCC2CC2)N=C1)C1=NN=N[N-]1	REAL300020163080	0	43	-1.0	-44.09	378.23	3.34	-40.75
CSCC[C@H](NC(=O)C1=CC=C(OCC2CC2)N=C1)C1=N[N-]N=N1	REAL300020163080	1	43	-1.0	-44.05	378.17	3.33	-40.72
CSCC[C@H](NC(=O)C(SCC1=CC=CC=C1)C(C)C)C1=N[N-]N=N1	REAL300020163081	0	49	-1.0	-48.78	414.89	8.13	-40.65
CSCC[C@H](NC(=O)C(SCC1=CC=CC=C1)C(C)C)C1=NN=N[N-]1	REAL300020163081	1	49	-1.0	-48.75	414.95	8.14	-40.61
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC2=C1OCCO2)C1=N[N-]N=N1	REAL300020163082	0	41	-1.0	-46.84	367.90	5.02	-41.82
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC2=C1OCCO2)C1=NN=N[N-]1	REAL300020163082	1	41	-1.0	-46.85	367.96	5.03	-41.82
CCC1=CC=C(C(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163083	0	45	-1.0	-48.39	380.96	6.76	-41.63
CCC1=CC=C(C(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163083	1	45	-1.0	-48.41	381.02	6.77	-41.64
CSCC[C@H](NC(=O)CCC1=CC=CC(OC2CCCC2)=C1)C1=N[N-]N=N1	REAL300020163084	0	53	-1.0	-45.90	437.65	7.76	-38.14
CSCC[C@H](NC(=O)CCC1=CC=CC(OC2CCCC2)=C1)C1=NN=N[N-]1	REAL300020163084	1	53	-1.0	-45.91	437.71	7.78	-38.13
CSCC[C@H](NC(=O)C1CSCN1C(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020163085	0	47	-1.0	-58.49	390.00	4.76	-53.73
CSCC[C@H](NC(=O)C1CSCN1C(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020163085	1	47	-1.0	-58.48	390.06	4.78	-53.70
CCCCCS(=O)(=O)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163086	0	44	-1.0	-61.62	389.64	2.03	-59.59
CCCCCS(=O)(=O)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163086	1	44	-1.0	-61.58	389.69	2.04	-59.54
CCCCC(=O)N1CSCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163087	0	47	-1.0	-58.30	404.07	5.73	-52.57
CCCCC(=O)N1CSCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163087	1	47	-1.0	-58.26	404.13	5.75	-52.51
CCC=C(C)C(=O)N1CSCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163088	0	48	-1.0	-58.06	415.99	5.98	-52.08
CCC=C(C)C(=O)N1CSCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163088	1	48	-1.0	-58.09	416.04	5.99	-52.10
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020163089	0	45	-1.0	-51.96	391.92	6.67	-45.29
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020163089	1	45	-1.0	-51.97	391.98	6.69	-45.28
CSCC[C@H](NC(=O)CC(C)NC(=O)C1CCCCC1)C1=N[N-]N=N1	REAL300020163090	0	52	-1.0	-49.78	423.78	4.61	-45.17
CSCC[C@H](NC(=O)CC(C)NC(=O)C1CCCCC1)C1=NN=N[N-]1	REAL300020163090	1	52	-1.0	-49.85	423.83	4.63	-45.22
CSCC[C@H](NC(=O)CCC1=CC=CC=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300020163091	0	43	-1.0	-44.85	388.36	5.42	-39.43
CSCC[C@H](NC(=O)CCC1=CC=CC=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300020163091	1	43	-1.0	-44.84	388.42	5.43	-39.41
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=N2)S1)C1=N[N-]N=N1	REAL300020163092	0	38	-1.0	-47.47	360.69	3.31	-44.16
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=N2)S1)C1=NN=N[N-]1	REAL300020163092	1	38	-1.0	-47.47	360.75	3.32	-44.15
CSCC[C@H](NC(=O)C=CC1=CC=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300020163093	0	47	-1.0	-48.13	401.31	6.12	-42.01
CSCC[C@H](NC(=O)C=CC1=CC=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300020163093	1	47	-1.0	-48.17	401.36	6.14	-42.03
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CC=C2C)=N1)C1=N[N-]N=N1	REAL300020163094	0	42	-1.0	-49.37	378.34	5.10	-44.27
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CC=C2C)=N1)C1=NN=N[N-]1	REAL300020163094	1	42	-1.0	-49.34	378.40	5.11	-44.23
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CC=C2Cl)=N1)C1=NN=N[N-]1	REAL300020163095	0	39	-1.0	-47.83	375.18	5.20	-42.63
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CC=C2Cl)=N1)C1=N[N-]N=N1	REAL300020163095	1	39	-1.0	-47.85	375.12	5.18	-42.67
CCSC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)C	REAL300020163096	0	42	-1.0	-47.64	354.32	5.12	-42.52
CCSC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)C	REAL300020163096	1	42	-1.0	-47.69	354.37	5.13	-42.56
CSCC[C@H](NC(=O)CCCC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020163097	0	54	-1.0	-47.45	441.25	8.67	-38.78
CSCC[C@H](NC(=O)CCCC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020163097	1	54	-1.0	-47.45	441.31	8.69	-38.76
CSCC[C@H](NC(=O)C(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020163098	0	46	-1.0	-43.15	386.09	1.80	-41.35
CSCC[C@H](NC(=O)C(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020163098	1	46	-1.0	-43.21	386.15	1.81	-41.40
CSCC[C@H](NC(=O)C(C)OC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020163099	0	40	-1.0	-46.20	382.00	6.25	-39.95
CSCC[C@H](NC(=O)C(C)OC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020163099	1	40	-1.0	-46.21	382.06	6.27	-39.94
CSCC[C@H](NC(=O)C1=CC=C(Br)C=N1)C1=NN=N[N-]1	REAL300020163100	0	32	-1.0	-43.25	316.13	2.98	-40.27
CSCC[C@H](NC(=O)C1=CC=C(Br)C=N1)C1=N[N-]N=N1	REAL300020163100	1	32	-1.0	-43.26	316.07	2.96	-40.30
CSCC[C@H](NC(=O)CC1CC(C)CC(C)(C)C1)C1=N[N-]N=N1	REAL300020163101	0	51	-1.0	-45.89	396.81	6.53	-39.36
CSCC[C@H](NC(=O)CC1CC(C)CC(C)(C)C1)C1=NN=N[N-]1	REAL300020163101	1	51	-1.0	-45.89	396.86	6.54	-39.35
CSCC[C@H](NC(=O)C1(C2=CC=CC(C(F)(F)F)=C2)CC1)C1=N[N-]N=N1	REAL300020163102	0	43	-1.0	-47.69	387.74	6.81	-40.88
CSCC[C@H](NC(=O)C1(C2=CC=CC(C(F)(F)F)=C2)CC1)C1=NN=N[N-]1	REAL300020163102	1	43	-1.0	-47.71	387.79	6.83	-40.88
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020163103	0	42	-1.0	-49.68	377.69	5.50	-44.18
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020163103	1	42	-1.0	-49.69	377.74	5.51	-44.18
CCCCCCC(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163104	0	50	-1.0	-45.21	404.59	6.90	-38.31
CCCCCCC(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163104	1	50	-1.0	-45.25	404.65	6.92	-38.33
CSCC[C@H](NC(=O)CC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020163105	0	41	-1.0	-54.36	376.34	-0.28	-54.64
CSCC[C@H](NC(=O)CC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020163105	1	41	-1.0	-54.32	376.39	-0.26	-54.58
CC[NH+](CC)C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020163106	0	51	0.0	-57.02	399.45	6.78	-50.24
CCN(CC)C(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020163106	1	50	-1.0	-46.29	403.11	5.04	-41.25
CCN(CC)C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020163106	1	50	-1.0	-46.28	403.17	5.05	-41.23
CSCC[C@H](NC(=O)C1NC2=CC=CC=C2S(=O)(=O)N1)C1=N[N-]N=N1	REAL300020163107	0	41	-1.0	-51.63	368.59	-1.74	-53.37
CSCC[C@H](NC(=O)C1NC2=CC=CC=C2S(=O)(=O)N1)C1=NN=N[N-]1	REAL300020163107	1	41	-1.0	-51.60	368.64	-1.73	-53.33
CSCC[C@H](NC(=O)[C@H]1COCC(=O)N1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163108	0	48	-1.0	-49.26	407.77	3.84	-45.42
CSCC[C@H](NC(=O)[C@H]1COCC(=O)N1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163108	1	48	-1.0	-49.26	407.83	3.86	-45.40
CSCC[C@H](NC(=O)C(=O)NCCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163109	0	46	-1.0	-42.48	403.82	4.00	-38.48
CSCC[C@H](NC(=O)C(=O)NCCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163109	1	46	-1.0	-42.47	403.87	4.02	-38.45
CCCN(CCC)C(=O)CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163110	0	51	-1.0	-45.74	424.30	5.49	-40.25
CCCN(CCC)C(=O)CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163110	1	51	-1.0	-45.73	424.36	5.50	-40.23
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=NNC=N2)S1)C1=N[N-]N=N1	REAL300020163111	0	38	-1.0	-50.52	358.37	2.71	-47.81
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=NNC=N2)S1)C1=NN=N[N-]1	REAL300020163111	1	38	-1.0	-50.52	358.43	2.72	-47.80
COC1=CC=CC=C1NCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163112	0	42	-1.0	-47.70	363.44	2.48	-45.22
COC1=CC=CC=C1NCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163112	1	42	-1.0	-47.67	363.50	2.49	-45.18
CSCC[C@H](NC(=O)C1CSCN1C(=O)CC(C)(C)C)C1=N[N-]N=N1	REAL300020163113	0	50	-1.0	-56.97	414.92	5.80	-51.17
CSCC[C@H](NC(=O)C1CSCN1C(=O)CC(C)(C)C)C1=NN=N[N-]1	REAL300020163113	1	50	-1.0	-56.92	414.98	5.81	-51.11
CSCC[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=N[N-]N=N1	REAL300020163114	0	45	-1.0	-48.90	378.42	-0.27	-49.17
CSCC[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=NN=N[N-]1	REAL300020163114	1	45	-1.0	-48.87	378.47	-0.25	-49.12
CSCC[C@H](NC(=O)CNC(=O)NCC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020163115	0	45	-1.0	-44.71	413.80	2.48	-42.23
CSCC[C@H](NC(=O)CNC(=O)NCC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020163115	1	45	-1.0	-44.73	413.86	2.49	-42.24
CSCC[C@H](NC(=O)C=C(C)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020163116	0	40	-1.0	-47.10	367.38	6.51	-40.59
CSCC[C@H](NC(=O)C=C(C)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020163116	1	40	-1.0	-47.14	367.44	6.52	-40.62
CSCC[C@H](NC(=O)C1=CC=C(COC2=CC=C(C#N)C=C2)O1)C1=N[N-]N=N1	REAL300020163117	0	45	-1.0	-50.04	414.37	5.93	-44.11
CSCC[C@H](NC(=O)C1=CC=C(COC2=CC=C(C#N)C=C2)O1)C1=NN=N[N-]1	REAL300020163117	1	45	-1.0	-50.01	414.43	5.95	-44.06
COC1=CC=CC=C1C(C)=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163118	0	44	-1.0	-48.29	381.05	5.42	-42.87
COC1=CC=CC=C1C(C)=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163118	1	44	-1.0	-48.31	381.11	5.43	-42.88
CSCC[C@H](NC(=O)CC(C)NC(=O)C1CCCC1)C1=N[N-]N=N1	REAL300020163119	0	49	-1.0	-49.60	405.64	3.94	-45.66
CSCC[C@H](NC(=O)CC(C)NC(=O)C1CCCC1)C1=NN=N[N-]1	REAL300020163119	1	49	-1.0	-49.62	405.70	3.95	-45.67
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1F)C1=N[N-]N=N1	REAL300020163120	0	36	-1.0	-50.66	323.49	4.83	-45.83
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1F)C1=NN=N[N-]1	REAL300020163120	1	36	-1.0	-50.68	323.54	4.85	-45.83
CSCC[C@H](NC(=O)C(C)SC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020163121	0	41	-1.0	-47.10	385.31	6.33	-40.77
CSCC[C@H](NC(=O)C(C)SC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020163121	1	41	-1.0	-47.12	385.37	6.34	-40.78
CSCC[C@H](NC(=O)C1=C(C)N=C(CC(C)C)S1)C1=N[N-]N=N1	REAL300020163122	0	44	-1.0	-44.86	383.41	4.58	-40.28
CSCC[C@H](NC(=O)C1=C(C)N=C(CC(C)C)S1)C1=NN=N[N-]1	REAL300020163122	1	44	-1.0	-44.84	383.47	4.60	-40.24
CSCC[C@H](NC(=O)CCN1CCCC1=O)C1=N[N-]N=N1	REAL300020163123	0	40	-1.0	-48.67	348.21	2.83	-45.84
CSCC[C@H](NC(=O)CCN1CCCC1=O)C1=NN=N[N-]1	REAL300020163123	1	40	-1.0	-48.68	348.26	2.84	-45.84
CSCC[C@H](NC(=O)C1CCC(C)(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163124	0	49	-1.0	-47.40	393.94	7.06	-40.34
CSCC[C@H](NC(=O)C1CCC(C)(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163124	1	49	-1.0	-47.38	394.00	7.08	-40.30
CSCC[C@H](NC(=O)CC1=CC(C)=CC=C1C)C1=N[N-]N=N1	REAL300020163125	0	42	-1.0	-46.96	360.34	5.91	-41.05
CSCC[C@H](NC(=O)CC1=CC(C)=CC=C1C)C1=NN=N[N-]1	REAL300020163125	1	42	-1.0	-46.95	360.40	5.93	-41.02
CSCC[C@H](NC(=O)CC1=CNC2=CC(Cl)=CC=C12)C1=N[N-]N=N1	REAL300020163126	0	40	-1.0	-51.16	370.78	5.32	-45.84
CSCC[C@H](NC(=O)CC1=CNC2=CC(Cl)=CC=C12)C1=NN=N[N-]1	REAL300020163126	1	40	-1.0	-51.17	370.84	5.33	-45.84
CSCC[C@H](NC(=O)C(C)OC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020163127	0	43	-1.0	-53.91	386.00	6.27	-47.64
CSCC[C@H](NC(=O)C(C)OC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020163127	1	43	-1.0	-53.90	386.06	6.29	-47.61
CSCC[C@H](NC(=O)C1=CC=C(N2CCC(C)CC2)N=C1)C1=N[N-]N=N1	REAL300020163128	0	50	-1.0	-45.24	408.92	5.35	-39.89
CSCC[C@H](NC(=O)C1=CC=C(N2CCC(C)CC2)N=C1)C1=NN=N[N-]1	REAL300020163128	1	50	-1.0	-45.28	408.98	5.37	-39.91
CSCC[C@H](NC(=O)C1=CC=C(N2CCCC2)N=C1)C1=N[N-]N=N1	REAL300020163129	0	44	-1.0	-44.89	371.28	4.01	-40.88
CSCC[C@H](NC(=O)C1=CC=C(N2CCCC2)N=C1)C1=NN=N[N-]1	REAL300020163129	1	44	-1.0	-44.88	371.34	4.02	-40.86
CSCC[C@H](NC(=O)C1CCCN1C(=O)OCC(F)(F)F)C1=N[N-]N=N1	REAL300020163130	0	44	-1.0	-57.21	397.98	3.80	-53.41
CSCC[C@H](NC(=O)C1CCCN1C(=O)OCC(F)(F)F)C1=NN=N[N-]1	REAL300020163130	1	44	-1.0	-57.17	398.04	3.81	-53.36
CSCC[C@H](NC(=O)C(C)C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020163131	0	45	-1.0	-49.65	382.55	4.46	-45.19
CSCC[C@H](NC(=O)C(C)C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020163131	1	45	-1.0	-49.68	382.61	4.48	-45.20
CSCC[C@H](NC(=O)C(NC(=O)CC(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163132	0	52	-1.0	-45.67	438.25	5.70	-39.97
CSCC[C@H](NC(=O)C(NC(=O)CC(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163132	1	52	-1.0	-45.60	438.31	5.72	-39.88
CSCC[C@H](NC(=O)CSCC1CCCCO1)C1=N[N-]N=N1	REAL300020163133	0	44	-1.0	-49.81	381.60	4.24	-45.57
CSCC[C@H](NC(=O)CSCC1CCCCO1)C1=NN=N[N-]1	REAL300020163133	1	44	-1.0	-49.81	381.66	4.25	-45.56
CSCC[C@H](NC(=O)C1=C(C(F)F)N(C)N=C1)C1=N[N-]N=N1	REAL300020163134	0	36	-1.0	-52.52	329.45	2.54	-49.98
CSCC[C@H](NC(=O)C1=C(C(F)F)N(C)N=C1)C1=NN=N[N-]1	REAL300020163134	1	36	-1.0	-52.51	329.50	2.56	-49.95
CSCC[C@H](NC(=O)CC(NC(C)=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020163135	0	46	-1.0	-48.17	398.77	4.60	-43.57
CSCC[C@H](NC(=O)CC(NC(C)=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020163135	1	46	-1.0	-48.17	398.83	4.61	-43.56
CCCS(=O)(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163136	0	47	-1.0	-52.86	413.88	2.50	-50.36
CCCS(=O)(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163136	1	47	-1.0	-52.86	413.94	2.51	-50.35
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(C#N)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020163137	0	48	-1.0	-49.85	423.47	8.36	-41.49
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=C(C#N)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020163137	1	48	-1.0	-49.88	423.53	8.37	-41.51
CSCC[C@H](NC(=O)CNC(=O)CCC(C)C)C1=N[N-]N=N1	REAL300020163138	0	45	-1.0	-43.79	381.68	2.33	-41.46
CSCC[C@H](NC(=O)CNC(=O)CCC(C)C)C1=NN=N[N-]1	REAL300020163138	1	45	-1.0	-43.80	381.74	2.35	-41.45
CSCC[C@H](NC(=O)CC1=C(C)N2NC(=O)C=C2N=C1C)C1=NN=N[N-]1	REAL300020163139	0	45	-1.0	-54.91	389.07	2.90	-52.01
CSCC[C@H](NC(=O)CC1=C(C)N2[N-]C(=O)C=C2N=C1C)C1=N[N-]N=N1	REAL300020163139	1	44	-2.0	-112.26	386.69	2.10	-110.16
CSCC[C@H](NC(=O)CC1=C(C)N2NC(=O)C=C2N=C1C)C1=N[N-]N=N1	REAL300020163139	1	45	-1.0	-54.90	389.02	2.89	-52.01
CSCC[C@H](NC(=O)CC1=C(C)N2[N-]C(=O)C=C2N=C1C)C1=NN=N[N-]1	REAL300020163139	1	44	-2.0	-112.26	386.75	2.12	-110.14
CSCC[C@H](NC(=O)COCC(=O)NCC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020163140	0	46	-1.0	-60.91	411.61	2.59	-58.32
CSCC[C@H](NC(=O)COCC(=O)NCC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020163140	1	46	-1.0	-60.97	411.67	2.61	-58.36
CSCC[C@H](NC(=O)C1=CC=CC(CN2CCOCC2)=C1)C1=N[N-]N=N1	REAL300020163141	0	49	-1.0	-48.87	405.50	2.98	-45.89
CSCC[C@H](NC(=O)C1=CC=CC(CN2CCOCC2)=C1)C1=NN=N[N-]1	REAL300020163141	1	49	-1.0	-48.88	405.56	2.99	-45.89
CCC[NH+](CCC)CCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163142	0	53	0.0	-62.90	415.82	6.42	-56.48
CCC[NH+](CCC)CCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163142	1	53	0.0	-62.90	415.87	6.44	-56.46
CCN(C)C(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020163143	0	47	-1.0	-45.19	386.07	4.27	-40.92
CC[N@H+](C)C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020163143	1	48	0.0	-57.28	385.21	6.45	-50.83
CC[N@@H+](C)C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020163143	1	48	0.0	-47.80	390.29	6.65	-41.15
CCN(C)C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020163143	1	47	-1.0	-45.17	386.13	4.28	-40.89
CSCC[C@H](NC(=O)CC1=CSC(C2=NNC=N2)=N1)C1=N[N-]N=N1	REAL300020163144	0	38	-1.0	-58.04	362.62	2.82	-55.22
CSCC[C@H](NC(=O)CC1=CSC(C2=NNC=N2)=N1)C1=NN=N[N-]1	REAL300020163144	1	38	-1.0	-58.09	362.68	2.83	-55.26
CSCC[C@H](NC(=O)C1CCCN1C(=O)CNC(C)=O)C1=N[N-]N=N1	REAL300020163145	0	47	-1.0	-59.30	401.55	1.89	-57.41
CSCC[C@H](NC(=O)C1CCCN1C(=O)CNC(C)=O)C1=NN=N[N-]1	REAL300020163145	1	47	-1.0	-59.31	401.60	1.90	-57.41
CSCC[C@H](NC(=O)C1=CC=CC(OC2=CC=C(C#N)C=C2)=C1)C1=N[N-]N=N1	REAL300020163146	0	45	-1.0	-50.15	407.08	7.34	-42.81
CSCC[C@H](NC(=O)C1=CC=CC(OC2=CC=C(C#N)C=C2)=C1)C1=NN=N[N-]1	REAL300020163146	1	45	-1.0	-50.19	407.14	7.36	-42.83
CSCC[C@H](NC(=O)C1=CC=CN=C1OCC(C)C)C1=NN=N[N-]1	REAL300020163147	0	45	-1.0	-52.17	386.07	4.45	-47.72
CSCC[C@H](NC(=O)C1=CC=CN=C1OCC(C)C)C1=N[N-]N=N1	REAL300020163147	1	45	-1.0	-52.17	386.01	4.44	-47.73
CSCC[C@H](NC(=O)C1CCCN1C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020163148	0	46	-1.0	-45.65	390.25	4.58	-41.07
CSCC[C@H](NC(=O)C1CCCN1C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020163148	1	46	-1.0	-45.66	390.31	4.60	-41.06
CSCC[C@H](NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300020163149	0	53	-1.0	-42.54	423.06	2.20	-40.34
CSCC[C@H](NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300020163149	1	53	-1.0	-42.54	423.12	2.22	-40.32
CCCN(CCC)C(=O)CCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163150	0	54	-1.0	-56.58	445.80	6.27	-50.31
CCCN(CCC)C(=O)CCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163150	1	54	-1.0	-56.62	445.86	6.29	-50.33
CCNC(=O)CCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163151	0	42	-1.0	-56.93	364.74	1.72	-55.21
CCNC(=O)CCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163151	1	42	-1.0	-56.98	364.80	1.73	-55.25
CCNC(=O)CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163152	0	39	-1.0	-45.74	343.25	0.94	-44.80
CCNC(=O)CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163152	1	39	-1.0	-45.73	343.30	0.95	-44.78
CCCNC(=O)CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163153	0	42	-1.0	-45.60	364.75	1.70	-43.90
CCCNC(=O)CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163153	1	42	-1.0	-45.57	364.80	1.72	-43.85
CCCNC(=O)CCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163154	0	45	-1.0	-56.98	386.24	2.48	-54.50
CCCNC(=O)CCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163154	1	45	-1.0	-56.95	386.30	2.50	-54.45
CSCC[C@H](NC(=O)CCCC(=O)NC(C)C)C1=N[N-]N=N1	REAL300020163155	0	45	-1.0	-57.20	385.37	2.52	-54.68
CSCC[C@H](NC(=O)CCCC(=O)NC(C)C)C1=NN=N[N-]1	REAL300020163155	1	45	-1.0	-57.16	385.43	2.54	-54.62
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020163156	0	33	-1.0	-40.96	316.51	4.27	-36.69
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020163156	1	33	-1.0	-40.96	316.56	4.29	-36.67
COC(=O)NC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020163157	0	41	-1.0	-56.64	364.46	2.31	-54.33
COC(=O)NC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163157	1	41	-1.0	-56.71	364.52	2.33	-54.38
CSCC[C@H](NC(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300020163158	0	44	-2.0	-98.98	399.13	-2.28	-101.26
CSCC[C@H](NC(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300020163158	1	44	-2.0	-99.02	399.19	-2.26	-101.28
CSCC[C@H](NC(=O)CCC(=O)NC1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300020163158	1	45	-1.0	-51.78	402.43	-0.57	-52.35
CSCC[C@H](NC(=O)CCC(=O)NC1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300020163158	1	45	-1.0	-51.74	402.48	-0.56	-52.30
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)N1CCN(C)CC1)C1=N[N-]N=N1	REAL300020163159	0	53	-1.0	-44.88	428.24	3.45	-41.43
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)N1CCN(C)CC1)C1=NN=N[N-]1	REAL300020163159	1	53	-1.0	-44.91	428.29	3.46	-41.45
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300020163159	1	54	0.0	-66.86	434.28	5.66	-61.20
CSCC[C@H](NC(=O)C1=CC=C(CSC2=NNC=N2)C=C1)C1=N[N-]N=N1	REAL300020163160	0	43	-1.0	-52.74	397.29	6.17	-46.57
CSCC[C@H](NC(=O)C1=CC=C(CSC2=NNC=N2)C=C1)C1=NN=N[N-]1	REAL300020163160	1	43	-1.0	-52.68	397.35	6.19	-46.49
COC1=CC=CC=C1C(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163161	0	46	-1.0	-49.57	384.90	5.39	-44.18
COC1=CC=CC=C1C(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163161	1	46	-1.0	-49.55	384.95	5.40	-44.15
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020163162	0	45	-1.0	-48.71	374.20	6.37	-42.34
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020163162	1	45	-1.0	-48.69	374.25	6.38	-42.31
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300020163163	0	42	-1.0	-43.85	372.83	6.18	-37.67
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300020163163	1	42	-1.0	-43.83	372.89	6.20	-37.63
CSCC[C@H](NC(=O)C1=CSC(C2=CN=CC=N2)=N1)C1=N[N-]N=N1	REAL300020163164	0	37	-1.0	-50.77	355.12	1.16	-49.61
CSCC[C@H](NC(=O)C1=CSC(C2=CN=CC=N2)=N1)C1=NN=N[N-]1	REAL300020163164	1	37	-1.0	-50.78	355.18	1.18	-49.60
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)N1CCOC1=O)C1=N[N-]N=N1	REAL300020163165	0	48	-1.0	-46.00	405.04	6.42	-39.58
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)N1CCOC1=O)C1=NN=N[N-]1	REAL300020163165	1	48	-1.0	-46.02	405.10	6.44	-39.58
CSCC[C@H](NC(=O)C1=C(NC(=O)C2=CC=CO2)SC=C1)C1=N[N-]N=N1	REAL300020163166	0	41	-1.0	-48.54	380.43	3.44	-45.10
CSCC[C@H](NC(=O)C1=C(NC(=O)C2=CC=CO2)SC=C1)C1=NN=N[N-]1	REAL300020163166	1	41	-1.0	-48.50	380.48	3.46	-45.04
CNC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(Cl)=N1	REAL300020163167	0	37	-1.0	-43.28	344.65	2.41	-40.87
CNC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(Cl)=N1	REAL300020163167	1	37	-1.0	-43.29	344.59	2.40	-40.89
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020163168	0	44	-1.0	-48.74	392.20	1.82	-46.92
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020163168	1	44	-1.0	-48.79	392.14	1.80	-46.99
CSCC[C@H](NC(=O)C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21)C1=N[N-]N=N1	REAL300020163169	0	41	-1.0	-53.22	372.50	3.83	-49.39
CSCC[C@H](NC(=O)C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21)C1=NN=N[N-]1	REAL300020163169	1	41	-1.0	-53.23	372.55	3.85	-49.38
CSCC[C@H](NC(=O)C1=CC=CC=C1OC(C)C)C1=N[N-]N=N1	REAL300020163170	0	43	-1.0	-52.16	364.63	6.15	-46.01
CSCC[C@H](NC(=O)C1=CC=CC=C1OC(C)C)C1=NN=N[N-]1	REAL300020163170	1	43	-1.0	-52.13	364.69	6.17	-45.96
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2)NC1=O)C1=N[N-]N=N1	REAL300020163171	0	43	-1.0	-55.73	362.64	3.71	-52.02
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2)NC1=O)C1=NN=N[N-]1	REAL300020163171	1	43	-1.0	-55.79	362.70	3.72	-52.07
CSCC[C@H](NC(=O)CC1=COC(C2=CC=CS2)=N1)C1=NN=N[N-]1	REAL300020163172	0	39	-1.0	-53.32	369.06	2.32	-51.00
CSCC[C@H](NC(=O)CC1=COC(C2=CC=CS2)=N1)C1=N[N-]N=N1	REAL300020163172	1	39	-1.0	-53.31	369.00	2.30	-51.01
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1Cl)C1=N[N-]N=N1	REAL300020163173	0	43	-1.0	-47.78	384.20	8.03	-39.75
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1Cl)C1=NN=N[N-]1	REAL300020163173	1	43	-1.0	-47.78	384.26	8.04	-39.74
CCCC(=O)N1CCCCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163174	0	49	-1.0	-55.40	396.05	5.85	-49.55
CCCC(=O)N1CCCCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163174	1	49	-1.0	-55.37	396.11	5.86	-49.51
CSCC[C@H](NC(=O)C1=CC2=C(CC(C)(C)CC2=O)NC1=O)C1=N[N-]N=N1	REAL300020163175	0	48	-1.0	-62.56	402.26	3.78	-58.78
CSCC[C@H](NC(=O)C1=CC2=C(CC(C)(C)CC2=O)NC1=O)C1=NN=N[N-]1	REAL300020163175	1	48	-1.0	-62.54	402.32	3.80	-58.74
CSCC[C@H](NC(=O)CN1C=C2C=CC=CC2=N1)C1=NN=N[N-]1	REAL300020163176	0	39	-1.0	-54.90	349.22	4.45	-50.45
CSCC[C@H](NC(=O)CN1C=C2C=CC=CC2=N1)C1=N[N-]N=N1	REAL300020163176	1	39	-1.0	-54.90	349.16	4.43	-50.47
CSCC[C@H](NC(=O)C1CCCCN1CC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020163177	0	50	-1.0	-48.23	409.83	3.83	-44.40
CSCC[C@H](NC(=O)C1CCCCN1CC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020163177	1	50	-1.0	-48.23	409.88	3.84	-44.39
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1)C1=NN=N[N-]1	REAL300020163178	0	41	-1.0	-50.88	383.14	4.46	-46.42
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1)C1=N[N-]N=N1	REAL300020163178	1	41	-1.0	-50.88	383.09	4.45	-46.43
CSCC[C@H](NC(=O)CC1=C(C)N=C2C(=C1C)C(=O)NN2C)C1=N[N-]N=N1	REAL300020163179	0	48	-1.0	-57.00	408.78	3.09	-53.91
CSCC[C@H](NC(=O)CC1=C(C)N=C2C(=C1C)C(=O)NN2C)C1=NN=N[N-]1	REAL300020163179	1	48	-1.0	-57.03	408.84	3.10	-53.93
CNC(=O)C1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCC1	REAL300020163180	0	40	-1.0	-44.28	346.64	1.00	-43.28
CNC(=O)C1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCC1	REAL300020163180	1	40	-1.0	-44.30	346.70	1.01	-43.29
CSCC[C@H](NC(=O)CCCCCC1=CC=CS1)C1=N[N-]N=N1	REAL300020163181	0	45	-1.0	-46.90	398.28	7.00	-39.90
CSCC[C@H](NC(=O)CCCCCC1=CC=CS1)C1=NN=N[N-]1	REAL300020163181	1	45	-1.0	-46.90	398.34	7.02	-39.88
CSCC[C@H](NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020163182	0	35	-1.0	-44.00	332.13	4.81	-39.19
CSCC[C@H](NC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020163182	1	35	-1.0	-44.05	332.19	4.82	-39.23
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC=C1	REAL300020163183	0	34	-1.0	-52.27	317.79	3.39	-48.88
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC=C1	REAL300020163183	1	34	-1.0	-52.33	317.85	3.40	-48.93
CSCC[C@H](NC(=O)C1(C#N)CCOCC1)C1=N[N-]N=N1	REAL300020163184	0	38	-1.0	-40.16	330.32	1.82	-38.34
CSCC[C@H](NC(=O)C1(C#N)CCOCC1)C1=NN=N[N-]1	REAL300020163184	1	38	-1.0	-40.16	330.38	1.84	-38.32
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(F)C=C2)C=C1F)C1=N[N-]N=N1	REAL300020163185	0	43	-1.0	-51.07	382.55	7.64	-43.43
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(F)C=C2)C=C1F)C1=NN=N[N-]1	REAL300020163185	1	43	-1.0	-51.07	382.61	7.65	-43.42
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163186	0	49	-1.0	-42.54	399.75	2.33	-40.21
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163186	1	49	-1.0	-42.54	399.80	2.35	-40.19
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163187	0	52	-1.0	-44.92	421.24	3.09	-41.83
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163187	1	52	-1.0	-44.91	421.30	3.10	-41.81
CSCC[C@H](NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020163188	0	48	-1.0	-55.60	408.31	4.78	-50.82
CSCC[C@H](NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020163188	1	48	-1.0	-55.58	408.37	4.80	-50.78
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1)C1=N[N-]N=N1	REAL300020163189	0	53	-1.0	-54.44	416.74	3.74	-50.70
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1)C1=NN=N[N-]1	REAL300020163189	1	53	-1.0	-54.42	416.78	3.74	-50.68
CSCC[C@H](NC(=O)C1CCC(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020163190	0	56	-1.0	-49.88	444.53	4.65	-45.23
CSCC[C@H](NC(=O)C1CCC(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020163190	1	56	-1.0	-49.92	444.59	4.67	-45.25
CSCC[C@H](NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300020163191	0	55	-1.0	-45.53	443.61	5.75	-39.78
CSCC[C@H](NC(=O)CCN(C(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300020163191	1	55	-1.0	-45.55	443.67	5.77	-39.78
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300020163192	0	52	-1.0	-41.92	418.45	3.16	-38.76
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300020163192	1	52	-1.0	-41.93	418.51	3.19	-38.74
CCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163193	0	52	-1.0	-44.91	421.24	3.09	-41.82
CCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163193	1	52	-1.0	-44.89	421.30	3.10	-41.79
CSCC[C@H](NC(=O)C1=CC=C2NC(C(F)F)=NC2=C1)C1=N[N-]N=N1	REAL300020163194	0	39	-1.0	-50.35	358.28	3.75	-46.60
CSCC[C@H](NC(=O)C1=CC=C2NC(C(F)F)=NC2=C1)C1=NN=N[N-]1	REAL300020163194	1	39	-1.0	-50.40	358.33	3.76	-46.64
CSCC[C@H](NC(=O)C1=CN2C=CN=C2C=C1)C1=N[N-]N=N1	REAL300020163195	0	36	-1.0	-45.63	323.85	4.65	-40.98
CSCC[C@H](NC(=O)C1=CN2C=CN=C2C=C1)C1=NN=N[N-]1	REAL300020163195	1	36	-1.0	-45.63	323.91	4.66	-40.97
CSCC[C@H](NC(=O)C(C)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020163196	0	42	-1.0	-46.08	359.51	5.98	-40.10
CSCC[C@H](NC(=O)C(C)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020163196	1	42	-1.0	-46.09	359.56	5.99	-40.10
COC1=CC([N+](=O)[O-])=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1SC	REAL300020163197	0	43	-1.0	-53.92	390.60	6.13	-47.79
COC1=CC([N+](=O)[O-])=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1SC	REAL300020163197	1	43	-1.0	-53.94	390.66	6.14	-47.80
CSCC[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020163198	0	46	-1.0	-47.99	387.55	3.79	-44.20
CSCC[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020163198	1	46	-1.0	-47.99	387.60	3.80	-44.19
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163199	0	55	-1.0	-42.07	436.87	4.37	-37.70
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163199	1	55	-1.0	-42.07	436.93	4.39	-37.68
CSCC[C@H](NC(=O)CNCC(F)(F)F)C1=N[N-]N=N1	REAL300020163200	0	34	-1.0	-47.97	319.22	0.40	-47.57
CSCC[C@H](NC(=O)CNCC(F)(F)F)C1=NN=N[N-]1	REAL300020163200	1	34	-1.0	-47.98	319.27	0.41	-47.57
CNC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020163201	0	39	-1.0	-45.75	351.43	0.64	-45.11
CNC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020163201	1	39	-1.0	-45.74	351.38	0.62	-45.12
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163202	0	47	-1.0	-54.50	412.11	5.68	-48.82
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163202	1	47	-1.0	-54.51	412.05	5.66	-48.85
CSCC[C@H](NC(=O)COC1=CC=CC=C1C=O)C1=N[N-]N=N1	REAL300020163203	0	39	-1.0	-51.14	353.20	4.43	-46.71
CSCC[C@H](NC(=O)COC1=CC=CC=C1C=O)C1=NN=N[N-]1	REAL300020163203	1	39	-1.0	-51.13	353.25	4.44	-46.69
CSCC[C@H](NC(=O)COC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL300020163204	0	39	-1.0	-51.24	354.18	4.39	-46.85
CSCC[C@H](NC(=O)COC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL300020163204	1	39	-1.0	-51.21	354.23	4.40	-46.81
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020163205	0	42	-1.0	-45.45	359.58	5.74	-39.71
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020163205	1	42	-1.0	-45.44	359.64	5.76	-39.68
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C=CC1=O)C1=N[N-]N=N1	REAL300020163206	0	42	-1.0	-60.61	380.67	6.49	-54.12
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C=CC1=O)C1=NN=N[N-]1	REAL300020163206	1	42	-1.0	-60.61	380.72	6.51	-54.10
COC(=O)C1=CC=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163207	0	45	-1.0	-47.04	398.36	6.23	-40.81
COC(=O)C1=CC=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163207	1	45	-1.0	-47.07	398.42	6.25	-40.82
CSCC[C@H](NC(=O)CC1OCCC2=C1SC=C2)C1=N[N-]N=N1	REAL300020163208	0	41	-1.0	-48.59	363.88	4.75	-43.84
CSCC[C@H](NC(=O)CC1OCCC2=C1SC=C2)C1=NN=N[N-]1	REAL300020163208	1	41	-1.0	-48.60	363.94	4.77	-43.83
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)C(C)C)C1=N[N-]N=N1	REAL300020163209	0	48	-1.0	-46.68	394.37	7.07	-39.61
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)C(C)C)C1=NN=N[N-]1	REAL300020163209	1	48	-1.0	-46.64	394.42	7.08	-39.56
CSCC[C@H](NC(=O)C1=CC=C(C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020163210	0	36	-1.0	-44.45	332.95	5.18	-39.27
CSCC[C@H](NC(=O)C1=CC=C(C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020163210	1	36	-1.0	-44.42	333.01	5.20	-39.22
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020163211	0	43	-1.0	-56.74	369.35	3.94	-52.80
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020163211	1	43	-1.0	-56.72	369.40	3.96	-52.76
CSCC[C@H](NC(=O)C1=CC2=C(CCOC2)S1)C1=N[N-]N=N1	REAL300020163212	0	38	-1.0	-46.68	344.27	3.30	-43.38
CSCC[C@H](NC(=O)C1=CC2=C(CCOC2)S1)C1=NN=N[N-]1	REAL300020163212	1	38	-1.0	-46.68	344.32	3.32	-43.36
CSCC[C@H](NC(=O)CSC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020163213	0	38	-1.0	-47.54	361.53	5.60	-41.94
CSCC[C@H](NC(=O)CSC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020163213	1	38	-1.0	-47.51	361.58	5.62	-41.89
CSCC[C@H](NC(=O)C1=CC=CC=C1CSC1=NNC=N1)C1=N[N-]N=N1	REAL300020163214	0	43	-1.0	-56.19	390.14	6.17	-50.02
CSCC[C@H](NC(=O)C1=CC=CC=C1CSC1=NNC=N1)C1=NN=N[N-]1	REAL300020163214	1	43	-1.0	-56.23	390.20	6.19	-50.04
CSCC[C@H](NC(=O)CCOC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL300020163215	0	42	-1.0	-50.70	375.13	4.14	-46.56
CSCC[C@H](NC(=O)CCOC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL300020163215	1	42	-1.0	-50.73	375.19	4.15	-46.58
CSCC[C@H](NC(=O)CCOC1=CC=CC(C=O)=C1)C1=N[N-]N=N1	REAL300020163216	0	42	-1.0	-47.64	375.29	4.12	-43.52
CSCC[C@H](NC(=O)CCOC1=CC=CC(C=O)=C1)C1=NN=N[N-]1	REAL300020163216	1	42	-1.0	-47.64	375.34	4.13	-43.51
COC(=O)NC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163217	0	41	-1.0	-48.15	358.90	2.76	-45.39
COC(=O)NC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163217	1	41	-1.0	-48.15	358.95	2.78	-45.37
CSCC[C@H](NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=N[N-]N=N1	REAL300020163218	0	49	0.0	-64.03	404.49	3.94	-60.09
CSCC[C@H](NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=NN=N[N-]1	REAL300020163218	1	49	0.0	-64.05	404.55	3.96	-60.09
CSCC[C@H](NC(=O)C1=CN=C(C(C)C)N1)C1=N[N-]N=N1	REAL300020163219	0	39	-1.0	-45.93	341.90	2.68	-43.25
CSCC[C@H](NC(=O)C1=CN=C(C(C)C)N1)C1=NN=N[N-]1	REAL300020163219	1	39	-1.0	-45.93	341.96	2.69	-43.24
CSCC[C@H](NC(=O)C1=CN2C=CC=CC2=C1)C1=N[N-]N=N1	REAL300020163220	0	37	-1.0	-49.43	332.17	5.68	-43.75
CSCC[C@H](NC(=O)C1=CN2C=CC=CC2=C1)C1=NN=N[N-]1	REAL300020163220	1	37	-1.0	-49.42	332.23	5.70	-43.72
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)C(C)=C1)C1=N[N-]N=N1	REAL300020163221	0	41	-1.0	-51.33	367.15	-0.22	-51.55
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)C(C)=C1)C1=NN=N[N-]1	REAL300020163221	1	41	-1.0	-51.31	367.21	-0.21	-51.52
CSCC[C@H](NC(=O)CN(C)C(=O)C1CC1)C1=N[N-]N=N1	REAL300020163222	0	40	-1.0	-57.77	350.47	3.35	-54.42
CSCC[C@H](NC(=O)CN(C)C(=O)C1CC1)C1=NN=N[N-]1	REAL300020163222	1	40	-1.0	-57.77	350.53	3.37	-54.40
COCC(=O)NCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163223	0	40	-1.0	-57.82	355.97	0.27	-57.55
COCC(=O)NCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163223	1	40	-1.0	-57.84	356.02	0.28	-57.56
COC1=CC=CC(SCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020163224	0	41	-1.0	-49.03	370.17	4.52	-44.51
COC1=CC=CC(SCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163224	1	41	-1.0	-49.02	370.22	4.53	-44.49
CSCC[C@H](NC(=O)CSCC(N)=O)C1=N[N-]N=N1	REAL300020163225	0	34	-1.0	-57.05	322.68	-0.82	-57.87
CSCC[C@H](NC(=O)CSCC(N)=O)C1=NN=N[N-]1	REAL300020163225	1	34	-1.0	-57.02	322.74	-0.81	-57.83
CC[N@@H+]1CCCC1CN1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1=O	REAL300020163226	0	56	0.0	-68.09	448.59	5.69	-62.40
CC[N@H+]1CCCC1CN1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1=O	REAL300020163226	1	56	0.0	-62.00	439.69	5.25	-56.75
CC[N@@H+]1CCCC1CN1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1=O	REAL300020163226	1	56	0.0	-68.13	448.64	5.71	-62.42
CC[N@H+]1CCCC1CN1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1=O	REAL300020163226	1	56	0.0	-61.98	439.74	5.26	-56.72
CSCC[C@H](NC(=O)CCCC[NH+](C)C)C1=N[N-]N=N1	REAL300020163227	0	44	0.0	-65.87	363.10	4.64	-61.23
CSCC[C@H](NC(=O)CCCC[NH+](C)C)C1=NN=N[N-]1	REAL300020163227	1	44	0.0	-65.85	363.16	4.65	-61.20
CCN(CC)S(=O)(=O)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163228	0	43	-1.0	-56.50	378.96	0.80	-55.70
CCN(CC)S(=O)(=O)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163228	1	43	-1.0	-56.51	379.02	0.82	-55.69
CSCC[C@H](NC(=O)C1=CSC2=CN=CN21)C1=N[N-]N=N1	REAL300020163229	0	33	-1.0	-43.05	311.44	4.22	-38.83
CSCC[C@H](NC(=O)C1=CSC2=CN=CN21)C1=NN=N[N-]1	REAL300020163229	1	33	-1.0	-43.08	311.50	4.23	-38.85
CCS(=O)(=O)C1=CC=C(F)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020163230	0	42	-1.0	-52.44	384.22	2.58	-49.86
CCS(=O)(=O)C1=CC=C(F)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163230	1	42	-1.0	-52.47	384.27	2.60	-49.87
CSCC[C@H](NC(=O)CSC1=NN=NN1CC(F)(F)F)C1=NN=N[N-]1	REAL300020163231	0	38	-1.0	-46.91	376.11	2.64	-44.27
CSCC[C@H](NC(=O)CSC1=NN=NN1CC(F)(F)F)C1=N[N-]N=N1	REAL300020163231	1	38	-1.0	-46.93	376.06	2.63	-44.30
CSCC[C@H](NC(=O)C1=C(Br)C(C(C)C)=NN1)C1=N[N-]N=N1	REAL300020163232	0	39	-1.0	-43.24	361.38	3.05	-40.19
CSCC[C@H](NC(=O)C1=C(Br)C(C(C)C)=NN1)C1=NN=N[N-]1	REAL300020163232	1	39	-1.0	-43.23	361.44	3.06	-40.17
CSCC[C@H](NC(=O)CCC(=O)NCCNC(C)=O)C1=N[N-]N=N1	REAL300020163233	0	46	-1.0	-51.26	404.06	-0.73	-51.99
CSCC[C@H](NC(=O)CCC(=O)NCCNC(C)=O)C1=NN=N[N-]1	REAL300020163233	1	46	-1.0	-51.30	404.12	-0.71	-52.01
CSCC[C@H](NC(=O)C1CCCCN1CC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020163234	0	50	-1.0	-47.64	409.11	3.56	-44.08
CSCC[C@H](NC(=O)C1CCCCN1CC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020163234	1	50	-1.0	-47.63	409.17	3.58	-44.05
CSCC[C@H](NC(=O)C1CCCCN1CC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020163235	0	54	-1.0	-49.37	435.32	6.10	-43.27
CSCC[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020163235	1	55	0.0	-57.08	428.44	8.17	-48.91
CSCC[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020163235	1	55	0.0	-50.21	428.42	8.16	-42.05
CSCC[C@H](NC(=O)C1CCCCN1CC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020163235	1	54	-1.0	-49.39	435.37	6.11	-43.28
CCCCCC[N@H+](C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163236	0	50	0.0	-56.57	401.51	6.28	-50.29
CCCCCC[N@@H+](C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163236	1	50	0.0	-56.53	401.51	6.28	-50.25
CSCC[C@H](NC(=O)CCC1=NC2=CC=CNC2=N1)C1=N[N-]N=N1	REAL300020163237	0	41	-1.0	-65.48	363.67	3.75	-61.73
CSCC[C@H](NC(=O)CCC1=NC2=CC=CNC2=N1)C1=NN=N[N-]1	REAL300020163237	1	41	-1.0	-65.46	363.73	3.76	-61.70
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C)=N1)C1=N[N-]N=N1	REAL300020163238	0	42	-1.0	-54.77	374.25	5.61	-49.16
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C)=N1)C1=NN=N[N-]1	REAL300020163238	1	42	-1.0	-54.78	374.30	5.63	-49.15
CSCC[C@H](NC(=O)CN1CCC(=O)NC1=O)C1=N[N-]N=N1	REAL300020163239	0	38	-1.0	-50.62	339.50	0.24	-50.38
CSCC[C@H](NC(=O)CN1CCC(=O)NC1=O)C1=NN=N[N-]1	REAL300020163239	1	38	-1.0	-50.62	339.56	0.25	-50.37
COCCC1=CC=C(OCCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163240	0	53	-1.0	-49.48	450.09	5.67	-43.81
COCCC1=CC=C(OCCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163240	1	53	-1.0	-49.51	450.15	5.68	-43.83
CSCC[C@H](NC(=O)CN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020163241	0	41	-1.0	-52.16	365.99	4.56	-47.60
CSCC[C@H](NC(=O)CN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020163241	1	41	-1.0	-52.16	366.05	4.57	-47.59
CSCC[C@H](NC(=O)CNC(=O)OCC(F)(F)F)C1=N[N-]N=N1	REAL300020163242	0	37	-1.0	-43.84	353.09	0.26	-43.58
CSCC[C@H](NC(=O)CNC(=O)OCC(F)(F)F)C1=NN=N[N-]1	REAL300020163242	1	37	-1.0	-43.81	353.15	0.27	-43.54
CCC1=C2NC=C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C2=CC=C1	REAL300020163243	0	46	-1.0	-53.16	396.98	6.23	-46.93
CCC1=C2NC=C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C2=CC=C1	REAL300020163243	1	46	-1.0	-53.19	397.04	6.24	-46.95
CSCC[C@H](NC(=O)COC1=CC=C(C=O)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020163244	0	41	-1.0	-60.23	380.11	5.56	-54.67
CSCC[C@H](NC(=O)COC1=CC=C(C=O)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020163244	1	41	-1.0	-60.24	380.17	5.58	-54.66
CSCC[C@H](NC(=O)C(F)(F)OC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL300020163245	0	39	-1.0	-46.70	363.50	4.55	-42.15
CSCC[C@H](NC(=O)C(F)(F)OC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL300020163245	1	39	-1.0	-46.69	363.45	4.54	-42.15
CCCC1=NNC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020163246	0	41	-1.0	-47.85	374.15	3.47	-44.38
CCCC1=NNC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020163246	1	41	-1.0	-47.87	374.21	3.49	-44.38
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CN=C1)C1=N[N-]N=N1	REAL300020163247	0	39	-1.0	-52.94	348.30	2.27	-50.67
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020163247	1	39	-1.0	-52.95	348.36	2.28	-50.67
CSCC[C@H](NC(=O)C1=C2C=CC=CN2N=C1)C1=NN=N[N-]1	REAL300020163248	0	36	-1.0	-52.48	325.06	3.85	-48.63
CSCC[C@H](NC(=O)C1=C2C=CC=CN2N=C1)C1=N[N-]N=N1	REAL300020163248	1	36	-1.0	-52.49	325.00	3.83	-48.66
CSCC[C@H](NC(=O)C(C1=CC=CC(Cl)=C1)N(C)C)C1=N[N-]N=N1	REAL300020163249	0	44	-1.0	-43.93	389.95	4.29	-39.64
CSCC[C@H](NC(=O)C(C1=CC=CC(Cl)=C1)N(C)C)C1=NN=N[N-]1	REAL300020163249	1	44	-1.0	-43.99	390.01	4.30	-39.69
CSCC[C@H](NC(=O)C(C1=CC=CC(Cl)=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300020163249	1	45	0.0	-57.21	389.18	6.52	-50.69
COC1=CC=C(CN2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=N2)C=C1	REAL300020163250	0	47	-1.0	-49.02	413.56	5.01	-44.01
COC1=CC=C(CN2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=N2)C=C1	REAL300020163250	1	47	-1.0	-49.04	413.50	5.00	-44.04
COC1=NC=NC(OC)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163251	0	39	-1.0	-49.86	355.16	-0.97	-50.83
COC1=NC=NC(OC)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163251	1	39	-1.0	-49.88	355.10	-0.99	-50.87
CSCC[C@H](NC(=O)C(C(C)C)[NH+](C)C)C1=NN=N[N-]1	REAL300020163252	0	44	0.0	-52.22	342.84	4.55	-47.67
C#CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1	REAL300020163253	0	34	-1.0	-46.33	322.00	3.55	-42.78
C#CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1	REAL300020163253	1	34	-1.0	-46.31	322.05	3.57	-42.74
CSCC[C@H](NC(=O)C1=CC=CC2=C1OC(C)C(=O)N2)C1=N[N-]N=N1	REAL300020163254	0	42	-1.0	-51.77	366.50	3.21	-48.56
CSCC[C@H](NC(=O)C1=CC=CC2=C1OC(C)C(=O)N2)C1=NN=N[N-]1	REAL300020163254	1	42	-1.0	-51.76	366.56	3.23	-48.53
CSCC[C@H](NC(=O)C1=CC=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL300020163255	0	36	-1.0	-52.74	331.69	5.01	-47.73
CSCC[C@H](NC(=O)C1=CC=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL300020163255	1	36	-1.0	-52.71	331.74	5.02	-47.69
CSCC[C@H](NC(=O)CC1=C(C)NC2=CC=NN2C1=O)C1=N[N-]N=N1	REAL300020163256	0	42	-1.0	-59.13	370.35	2.97	-56.16
CSCC[C@H](NC(=O)CC1=C(C)NC2=CC=NN2C1=O)C1=NN=N[N-]1	REAL300020163256	1	42	-1.0	-59.16	370.41	2.99	-56.17
CSCC[C@H](NC(=O)C1=C(C)N(CC2CC2)C(C)=C1)C1=N[N-]N=N1	REAL300020163257	0	47	-1.0	-49.15	395.91	7.08	-42.07
CSCC[C@H](NC(=O)C1=C(C)N(CC2CC2)C(C)=C1)C1=NN=N[N-]1	REAL300020163257	1	47	-1.0	-49.12	395.97	7.10	-42.02
CSCC[C@H](NC(=O)C1=CC=C(C2=NOC=N2)C=C1)C1=NN=N[N-]1	REAL300020163258	0	38	-1.0	-49.97	347.80	2.69	-47.28
CSCC[C@H](NC(=O)C1=CC=C(C2=NOC=N2)C=C1)C1=N[N-]N=N1	REAL300020163258	1	38	-1.0	-49.93	347.74	2.68	-47.25
CSCC[C@H](NC(=O)CC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020163259	0	39	-1.0	-51.32	351.24	5.43	-45.89
CSCC[C@H](NC(=O)CC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020163259	1	39	-1.0	-51.37	351.30	5.45	-45.92
CSCC[C@H](NC(=O)CCCC1=CC=C2NC(=O)CC2=C1)C1=N[N-]N=N1	REAL300020163260	0	47	-1.0	-50.85	407.14	4.81	-46.04
CSCC[C@H](NC(=O)CCCC1=CC=C2NC(=O)CC2=C1)C1=NN=N[N-]1	REAL300020163260	1	47	-1.0	-50.86	407.19	4.82	-46.04
CSCC[C@H](NC(=O)CC1=COC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300020163261	0	42	-1.0	-50.73	394.77	3.90	-46.83
CSCC[C@H](NC(=O)CC1=COC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300020163261	1	42	-1.0	-50.72	394.71	3.88	-46.84
CCC(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020163262	0	45	-1.0	-46.82	376.12	6.59	-40.23
CCC(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020163262	1	45	-1.0	-46.83	376.17	6.60	-40.23
CSCC[C@H](NC(=O)C1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163263	0	40	-1.0	-46.58	343.06	5.86	-40.72
CSCC[C@H](NC(=O)C1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163263	1	40	-1.0	-46.54	343.11	5.87	-40.67
CSCC[C@H](NC(=O)CN1N=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163264	0	39	-1.0	-53.72	350.90	4.38	-49.34
CSCC[C@H](NC(=O)CN1N=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163264	1	39	-1.0	-53.69	350.84	4.37	-49.32
CSCC[C@H](NC(=O)C1=CC=C(N2CCCC2)C(F)=C1)C1=N[N-]N=N1	REAL300020163265	0	45	-1.0	-44.69	377.76	4.49	-40.20
CSCC[C@H](NC(=O)C1=CC=C(N2CCCC2)C(F)=C1)C1=NN=N[N-]1	REAL300020163265	1	45	-1.0	-44.66	377.82	4.51	-40.15
CSCC[C@H](NC(=O)C1=CC=C(N2CCOCC2)C(F)=C1)C1=N[N-]N=N1	REAL300020163266	0	46	-1.0	-46.32	391.35	3.23	-43.09
CSCC[C@H](NC(=O)C1=CC=C(N2CCOCC2)C(F)=C1)C1=NN=N[N-]1	REAL300020163266	1	46	-1.0	-46.35	391.41	3.25	-43.10
CSCC[C@H](NC(=O)CCCC1=CC=C2NC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020163267	0	46	-1.0	-51.78	400.84	3.17	-48.61
CSCC[C@H](NC(=O)CCCC1=CC=C2NC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020163267	1	46	-1.0	-51.76	400.89	3.18	-48.58
CSCC[C@H](NC(=O)CCC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020163268	0	42	-1.0	-45.53	358.89	6.03	-39.50
CSCC[C@H](NC(=O)CCC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020163268	1	42	-1.0	-45.54	358.95	6.05	-39.49
COC(=O)NCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163269	0	37	-1.0	-51.58	333.78	-0.51	-52.09
COC(=O)NCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163269	1	37	-1.0	-51.58	333.83	-0.49	-52.07
CCN(CC)C(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163270	0	49	-1.0	-48.94	409.73	5.86	-43.08
CCN(CC)C(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163270	1	49	-1.0	-48.96	409.79	5.88	-43.08
CCN(C)C(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020163271	0	46	-1.0	-57.49	391.50	4.95	-52.54
CCN(C)C(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163271	1	46	-1.0	-57.41	391.56	4.96	-52.45
CCCN(CC)C(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163272	0	52	-1.0	-48.44	430.02	6.59	-41.85
CCCN(CC)C(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163272	1	52	-1.0	-48.42	430.07	6.60	-41.82
CSCC[C@H](NC(=O)C(C)CC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020163273	0	42	-1.0	-43.06	390.05	6.98	-36.08
CSCC[C@H](NC(=O)C(C)CC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020163273	1	42	-1.0	-43.04	390.11	6.99	-36.05
CSCC[C@H](NC(=O)C1=NNC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020163274	0	38	-1.0	-60.98	344.80	3.97	-57.01
CSCC[C@H](NC(=O)C1=NNC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020163274	1	38	-1.0	-60.94	344.86	3.98	-56.96
CSCC[C@H](NC(=O)C1=CC2=C(C=CS2)N1)C1=N[N-]N=N1	REAL300020163275	0	34	-1.0	-46.31	321.40	3.09	-43.22
CSCC[C@H](NC(=O)C1=CC2=C(C=CS2)N1)C1=NN=N[N-]1	REAL300020163275	1	34	-1.0	-46.31	321.45	3.11	-43.20
COC(=O)NC(C)(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163276	0	40	-1.0	-42.67	343.50	0.30	-42.37
COC(=O)NC(C)(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163276	1	40	-1.0	-42.67	343.56	0.32	-42.35
CSCC[C@H](NC(=O)CCCC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020163277	0	41	-1.0	-50.36	359.23	4.57	-45.79
CSCC[C@H](NC(=O)CCCC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020163277	1	41	-1.0	-50.37	359.29	4.58	-45.79
CSCC[C@H](NC(=O)C1(C(=O)NC2CC2)CCC1)C1=N[N-]N=N1	REAL300020163278	0	44	-1.0	-42.79	378.81	2.71	-40.08
CSCC[C@H](NC(=O)C1(C(=O)NC2CC2)CCC1)C1=NN=N[N-]1	REAL300020163278	1	44	-1.0	-42.75	378.86	2.72	-40.03
CSCC[C@H](NC(=O)CNC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020163279	0	41	-1.0	-45.33	373.77	4.06	-41.27
CSCC[C@H](NC(=O)CNC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020163279	1	41	-1.0	-45.33	373.83	4.07	-41.26
CSCC[C@H](NC(=O)C1=C(OC(F)F)C=CS1)C1=N[N-]N=N1	REAL300020163280	0	34	-1.0	-49.97	327.56	3.65	-46.32
CSCC[C@H](NC(=O)C1=C(OC(F)F)C=CS1)C1=NN=N[N-]1	REAL300020163280	1	34	-1.0	-50.00	327.62	3.66	-46.34
CSCC[C@H](NC(=O)C1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL300020163281	0	37	-1.0	-51.27	328.89	4.15	-47.12
CSCC[C@H](NC(=O)C1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL300020163281	1	37	-1.0	-51.29	328.83	4.13	-47.16
CSCC[C@H](NC(=O)CC1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300020163282	0	40	-1.0	-50.55	361.42	4.33	-46.22
CSCC[C@H](NC(=O)CC1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300020163282	1	40	-1.0	-50.56	361.47	4.35	-46.21
COC(=O)NCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163283	0	40	-1.0	-48.17	355.27	0.30	-47.87
COC(=O)NCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163283	1	40	-1.0	-48.18	355.33	0.31	-47.87
CSCC[C@H](NC(=O)C(C)N1CCN(C)CC1)C1=N[N-]N=N1	REAL300020163284	0	46	-1.0	-46.15	368.19	-0.04	-46.19
CSCC[C@H](NC(=O)C(C)N1CCN(C)CC1)C1=NN=N[N-]1	REAL300020163284	1	46	-1.0	-46.17	368.24	-0.02	-46.19
CSCC[C@H](NC(=O)C(C)N1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300020163284	1	47	0.0	-63.23	368.67	2.32	-60.91
CSCC[C@H](NC(=O)C(C)N1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300020163284	1	47	0.0	-63.21	368.73	2.33	-60.88
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C)C(C)=C2)C=C1F)C1=N[N-]N=N1	REAL300020163285	0	49	-1.0	-50.99	414.53	8.77	-42.22
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C)C(C)=C2)C=C1F)C1=NN=N[N-]1	REAL300020163285	1	49	-1.0	-51.00	414.58	8.79	-42.21
COC(=O)N(C)CCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163286	0	43	-1.0	-50.63	375.19	2.90	-47.73
COC(=O)N(C)CCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163286	1	43	-1.0	-50.62	375.25	2.91	-47.71
COC1=CC=C(NC(=O)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163287	0	41	-1.0	-42.59	364.21	1.62	-40.97
COC1=CC=C(NC(=O)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163287	1	41	-1.0	-42.62	364.27	1.64	-40.98
CSCC[C@H](NC(=O)CNC(=O)N1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020163288	0	49	-1.0	-45.69	412.69	4.56	-41.13
CSCC[C@H](NC(=O)CNC(=O)N1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020163288	1	49	-1.0	-45.75	412.75	4.57	-41.18
CSCC[C@H](NC(=O)C1=CN=C(C2=CN(C)N=C2)S1)C1=NN=N[N-]1	REAL300020163289	0	39	-1.0	-48.09	369.21	2.81	-45.28
CSCC[C@H](NC(=O)C1=CN=C(C2=CN(C)N=C2)S1)C1=N[N-]N=N1	REAL300020163289	1	39	-1.0	-48.06	369.15	2.80	-45.26
CSCC[C@H](NC(=O)C1CC(C2=CC(F)=CC=C2F)=NO1)C1=N[N-]N=N1	REAL300020163290	0	41	-1.0	-55.76	376.54	5.61	-50.15
CSCC[C@H](NC(=O)C1CC(C2=CC(F)=CC=C2F)=NO1)C1=NN=N[N-]1	REAL300020163290	1	41	-1.0	-55.75	376.60	5.63	-50.12
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2)C1)C1=N[N-]N=N1	REAL300020163291	0	44	-1.0	-44.53	383.23	5.08	-39.45
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(F)C=C2)C1)C1=NN=N[N-]1	REAL300020163291	1	44	-1.0	-44.59	383.29	5.10	-39.49
CSCC[C@H](NC(=O)CN1N=CC2=C1N=CNC2=O)C1=N[N-]N=N1	REAL300020163292	0	38	-1.0	-60.73	350.64	2.06	-58.67
CSCC[C@H](NC(=O)CN1N=CC2=C1N=CNC2=O)C1=NN=N[N-]1	REAL300020163292	1	38	-1.0	-60.71	350.69	2.08	-58.63
CCS(=O)(=O)NC(CCSC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163293	0	47	-1.0	-61.74	424.96	0.85	-60.89
CCS(=O)(=O)NC(CCSC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163293	1	47	-1.0	-61.72	425.02	0.87	-60.85
CSCC[C@H](NC(=O)C1=CC=CN(C)C1=O)C1=N[N-]N=N1	REAL300020163294	0	36	-1.0	-60.44	320.01	3.18	-57.26
CSCC[C@H](NC(=O)C1=CC=CN(C)C1=O)C1=NN=N[N-]1	REAL300020163294	1	36	-1.0	-60.44	320.07	3.19	-57.25
CSCC[C@H](NC(=O)C1=CC2=NC(C)=CC=C2O1)C1=N[N-]N=N1	REAL300020163295	0	38	-1.0	-47.58	345.21	3.28	-44.30
CSCC[C@H](NC(=O)C1=CC2=NC(C)=CC=C2O1)C1=NN=N[N-]1	REAL300020163295	1	38	-1.0	-47.57	345.27	3.30	-44.27
CSCC[C@H](NC(=O)C1CC1C1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020163296	0	40	-1.0	-45.36	373.08	6.97	-38.39
CSCC[C@H](NC(=O)C1CC1C1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020163296	1	40	-1.0	-45.37	373.13	6.99	-38.38
CSCC[C@H](NC(=O)C1=C(SC)C=CS1)C1=N[N-]N=N1	REAL300020163297	0	34	-1.0	-49.44	326.86	4.10	-45.34
CSCC[C@H](NC(=O)C1=C(SC)C=CS1)C1=NN=N[N-]1	REAL300020163297	1	34	-1.0	-49.44	326.91	4.12	-45.32
CSCC[C@H](NC(=O)CC1=CC=C(OCC(C)C)C=C1)C1=N[N-]N=N1	REAL300020163298	0	49	-1.0	-48.07	415.12	6.48	-41.59
CSCC[C@H](NC(=O)CC1=CC=C(OCC(C)C)C=C1)C1=NN=N[N-]1	REAL300020163298	1	49	-1.0	-48.07	415.17	6.50	-41.57
CSCC[C@H](NC(=O)C(C)C1=C(C)NN=C1C)C1=N[N-]N=N1	REAL300020163299	0	42	-1.0	-48.57	351.70	2.66	-45.91
CSCC[C@H](NC(=O)C(C)C1=C(C)NN=C1C)C1=NN=N[N-]1	REAL300020163299	1	42	-1.0	-48.60	351.75	2.68	-45.92
CSCC[C@H](NC(=O)C(C)N1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020163300	0	48	-1.0	-45.90	387.54	4.23	-41.67
CSCC[C@H](NC(=O)C(C)N1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020163300	1	48	-1.0	-45.88	387.59	4.25	-41.63
CSCC[C@H](NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020163300	1	49	0.0	-56.23	392.80	7.08	-49.15
CSCC[C@H](NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020163300	1	49	0.0	-53.35	396.25	6.89	-46.46
C#CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020163301	0	34	-1.0	-46.54	319.87	3.39	-43.15
C#CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020163301	1	34	-1.0	-46.62	319.92	3.40	-43.22
CSCC[C@H](NC(=O)CC1=CC=CC(NS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020163302	0	44	-1.0	-53.30	395.74	1.47	-51.83
CSCC[C@H](NC(=O)CC1=CC=CC(NS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020163302	1	44	-1.0	-53.31	395.80	1.49	-51.82
CSCC[C@H](NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020163303	0	53	-1.0	-55.39	419.63	5.55	-49.84
CSCC[C@H](NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020163303	1	53	-1.0	-55.42	419.69	5.56	-49.86
CSCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020163304	0	53	-1.0	-51.75	421.59	5.53	-46.22
CSCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020163304	1	53	-1.0	-51.78	421.65	5.55	-46.23
COC1=CC=CC=C1CC(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163305	0	49	-1.0	-48.79	402.08	6.31	-42.48
COC1=CC=CC=C1CC(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163305	1	49	-1.0	-48.80	402.14	6.32	-42.48
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2Cl)CCOCC1)C1=N[N-]N=N1	REAL300020163306	0	47	-1.0	-48.47	388.89	5.24	-43.23
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2Cl)CCOCC1)C1=NN=N[N-]1	REAL300020163306	1	47	-1.0	-48.46	388.95	5.25	-43.21
CSCC[C@H](NC(=O)CCC1=NC2=CC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL300020163307	0	41	-1.0	-44.92	392.02	5.50	-39.42
CSCC[C@H](NC(=O)CCC1=NC2=CC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL300020163307	1	41	-1.0	-44.94	392.07	5.51	-39.43
CSCC[C@H](NC(=O)C1=CC=C(CN2C=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020163308	0	44	-1.0	-50.03	386.12	7.64	-42.39
CSCC[C@H](NC(=O)C1=CC=C(CN2C=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020163308	1	44	-1.0	-50.04	386.18	7.65	-42.39
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CO2)S1)C1=NN=N[N-]1	REAL300020163309	0	36	-1.0	-46.29	347.78	3.12	-43.17
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CO2)S1)C1=N[N-]N=N1	REAL300020163309	1	36	-1.0	-46.30	347.72	3.11	-43.19
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N1CC#N)C1=N[N-]N=N1	REAL300020163310	0	41	-1.0	-50.22	369.95	6.28	-43.94
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N1CC#N)C1=NN=N[N-]1	REAL300020163310	1	41	-1.0	-50.21	370.00	6.29	-43.92
CSCC[C@H](NC(=O)CCOC1=CC(C)=CC(C)=C1C)C1=N[N-]N=N1	REAL300020163311	0	49	-1.0	-46.47	411.22	6.36	-40.11
CSCC[C@H](NC(=O)CCOC1=CC(C)=CC(C)=C1C)C1=NN=N[N-]1	REAL300020163311	1	49	-1.0	-46.47	411.28	6.37	-40.10
CSCC[C@H](NC(=O)C1=CC=C(N2CCCCCC2)N=C1)C1=N[N-]N=N1	REAL300020163312	0	50	-1.0	-45.37	399.31	5.17	-40.20
CSCC[C@H](NC(=O)C1=CC=C(N2CCCCCC2)N=C1)C1=NN=N[N-]1	REAL300020163312	1	50	-1.0	-45.42	399.37	5.18	-40.24
CSCC[C@H](NC(=O)CCC1=CC(Br)=CS1)C1=N[N-]N=N1	REAL300020163313	0	36	-1.0	-43.55	355.25	5.28	-38.27
CSCC[C@H](NC(=O)CCC1=CC(Br)=CS1)C1=NN=N[N-]1	REAL300020163313	1	36	-1.0	-43.53	355.31	5.29	-38.24
CSCC[C@H](NC(=O)CC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300020163314	0	36	-1.0	-44.77	339.85	5.24	-39.53
CSCC[C@H](NC(=O)CC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300020163314	1	36	-1.0	-44.79	339.90	5.26	-39.53
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020163315	0	42	-1.0	-46.00	360.60	5.97	-40.03
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020163315	1	42	-1.0	-45.95	360.65	5.99	-39.96
CSCC[C@H](NC(=O)CC1=CNC2=CC=CC(C)=C12)C1=N[N-]N=N1	REAL300020163316	0	43	-1.0	-53.26	369.24	5.27	-47.99
CSCC[C@H](NC(=O)CC1=CNC2=CC=CC(C)=C12)C1=NN=N[N-]1	REAL300020163316	1	43	-1.0	-53.28	369.30	5.29	-47.99
CSCC[C@H](NC(=O)C1=CN=C(C2CC2)S1)C1=N[N-]N=N1	REAL300020163317	0	36	-1.0	-45.68	337.08	3.63	-42.05
CSCC[C@H](NC(=O)C1=CN=C(C2CC2)S1)C1=NN=N[N-]1	REAL300020163317	1	36	-1.0	-45.69	337.14	3.65	-42.04
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)N=NN2C)C1=NN=N[N-]1	REAL300020163318	0	38	-1.0	-51.72	341.50	2.58	-49.14
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)N=NN2C)C1=N[N-]N=N1	REAL300020163318	1	38	-1.0	-51.71	341.45	2.56	-49.15
COC1=CC=CC=C1CC(C)=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163319	0	47	-1.0	-47.20	396.82	6.34	-40.86
COC1=CC=CC=C1CC(C)=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163319	1	47	-1.0	-47.26	396.88	6.36	-40.90
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C)C=C2)C=C1F)C1=N[N-]N=N1	REAL300020163320	0	46	-1.0	-50.86	397.55	8.25	-42.61
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C)C=C2)C=C1F)C1=NN=N[N-]1	REAL300020163320	1	46	-1.0	-50.86	397.61	8.26	-42.60
CSCC[C@H](NC(=O)CCC1=NC(C)=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020163321	0	48	-1.0	-47.97	420.17	4.65	-43.32
CSCC[C@H](NC(=O)CCC1=NC(C)=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020163321	1	48	-1.0	-47.98	420.23	4.67	-43.31
CSCC[C@H](NC(=O)C1=CC=CC2=C1OCC(=O)N2)C1=N[N-]N=N1	REAL300020163322	0	39	-1.0	-52.12	346.19	2.57	-49.55
CSCC[C@H](NC(=O)C1=CC=CC2=C1OCC(=O)N2)C1=NN=N[N-]1	REAL300020163322	1	39	-1.0	-52.17	346.25	2.59	-49.58
CSCC[C@H](NC(=O)C1=CC(C(C)=O)=CS1)C1=N[N-]N=N1	REAL300020163323	0	35	-1.0	-54.33	333.79	3.59	-50.74
CSCC[C@H](NC(=O)C1=CC(C(C)=O)=CS1)C1=NN=N[N-]1	REAL300020163323	1	35	-1.0	-54.33	333.85	3.61	-50.72
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=N2)C(F)=C1)C1=NN=N[N-]1	REAL300020163324	0	40	-1.0	-45.57	359.22	5.29	-40.28
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=N2)C(F)=C1)C1=N[N-]N=N1	REAL300020163324	1	40	-1.0	-45.58	359.16	5.27	-40.31
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2Cl)N=N1)C1=N[N-]N=N1	REAL300020163325	0	42	-1.0	-48.15	386.54	4.90	-43.25
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=CC=C2Cl)N=N1)C1=NN=N[N-]1	REAL300020163325	1	42	-1.0	-48.17	386.60	4.92	-43.25
COC(C)(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020163326	0	43	-1.0	-44.87	356.44	4.16	-40.71
COC(C)(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020163326	1	43	-1.0	-44.85	356.50	4.17	-40.68
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC=C(C)C=C2S1)C1=N[N-]N=N1	REAL300020163327	0	39	-1.0	-46.82	370.68	6.65	-40.17
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC=C(C)C=C2S1)C1=NN=N[N-]1	REAL300020163327	1	39	-1.0	-46.80	370.74	6.67	-40.13
CSCC[C@H](NC(=O)C1=CC=C(F)C(C)=C1)C1=N[N-]N=N1	REAL300020163328	0	36	-1.0	-44.27	324.21	4.79	-39.48
CSCC[C@H](NC(=O)C1=CC=C(F)C(C)=C1)C1=NN=N[N-]1	REAL300020163328	1	36	-1.0	-44.24	324.27	4.80	-39.44
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=NN1C	REAL300020163329	0	40	-1.0	-48.03	359.36	1.18	-46.85
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=NN1C	REAL300020163329	1	40	-1.0	-48.04	359.42	1.20	-46.84
CSCC[C@H](NC(=O)COCC1CCCO1)C1=N[N-]N=N1	REAL300020163330	0	41	-1.0	-53.58	353.80	2.57	-51.01
CSCC[C@H](NC(=O)COCC1CCCO1)C1=NN=N[N-]1	REAL300020163330	1	41	-1.0	-53.57	353.86	2.58	-50.99
CSCC[C@H](NC(=O)COC1=CC=CC(C=O)=C1)C1=N[N-]N=N1	REAL300020163331	0	39	-1.0	-57.84	354.34	4.38	-53.46
CSCC[C@H](NC(=O)COC1=CC=CC(C=O)=C1)C1=NN=N[N-]1	REAL300020163331	1	39	-1.0	-57.83	354.40	4.39	-53.44
CSCC[C@H](NC(=O)C1CCC(=O)N(C)C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163332	0	50	-1.0	-53.97	394.70	5.48	-48.49
CSCC[C@H](NC(=O)C1CCC(=O)N(C)C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163332	1	50	-1.0	-54.01	394.75	5.49	-48.52
COC1=CC(C2(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CCCC2)=CC=C1C	REAL300020163333	0	53	-1.0	-46.43	425.08	7.33	-39.10
COC1=CC(C2(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CCCC2)=CC=C1C	REAL300020163333	1	53	-1.0	-46.42	425.14	7.34	-39.08
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=C1	REAL300020163334	0	37	-1.0	-47.07	339.45	3.92	-43.15
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=C1	REAL300020163334	1	37	-1.0	-47.06	339.51	3.93	-43.13
CSCC[C@H](NC(=O)C1COC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163335	0	38	-1.0	-50.66	335.76	3.81	-46.85
CSCC[C@H](NC(=O)C1COC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163335	1	38	-1.0	-50.63	335.82	3.83	-46.80
CSCC[C@H](NC(=O)C1=COC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020163336	0	36	-1.0	-50.78	326.22	4.41	-46.37
CSCC[C@H](NC(=O)C1=COC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020163336	1	36	-1.0	-50.74	326.28	4.43	-46.31
COC(=O)N[C@H](C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)C	REAL300020163337	0	43	-1.0	-42.04	363.57	1.16	-40.88
COC(=O)N[C@H](C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)C	REAL300020163337	1	43	-1.0	-42.07	363.63	1.17	-40.90
CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020163338	0	43	-1.0	-46.81	368.84	5.07	-41.74
CCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020163338	1	43	-1.0	-46.84	368.90	5.09	-41.75
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020163339	0	43	-1.0	-51.71	394.06	5.93	-45.78
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020163339	1	43	-1.0	-51.74	394.00	5.91	-45.83
COC1=CC=CC(C2(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CCCC2)=C1	REAL300020163340	0	50	-1.0	-46.44	404.90	6.57	-39.87
COC1=CC=CC(C2(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CCCC2)=C1	REAL300020163340	1	50	-1.0	-46.42	404.96	6.58	-39.84
CSCC[C@H](NC(=O)C1=CC=CC(OC2CCCC2)=C1)C1=N[N-]N=N1	REAL300020163341	0	47	-1.0	-49.69	391.59	6.28	-43.41
CSCC[C@H](NC(=O)C1=CC=CC(OC2CCCC2)=C1)C1=NN=N[N-]1	REAL300020163341	1	47	-1.0	-49.70	391.65	6.30	-43.40
CSCC[C@H](NC(=O)COCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020163342	0	50	-1.0	-52.73	423.16	1.95	-50.78
CSCC[C@H](NC(=O)COCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020163342	1	50	-1.0	-52.78	423.22	1.96	-50.82
CSCC[C@H](NC(=O)C=CC1CCOCC1)C1=N[N-]N=N1	REAL300020163343	0	41	-1.0	-46.49	350.19	3.28	-43.21
CSCC[C@H](NC(=O)C=CC1CCOCC1)C1=NN=N[N-]1	REAL300020163343	1	41	-1.0	-46.45	350.24	3.29	-43.16
CSCC[C@H](NC(=O)CN1N=CN2N=CC=C2C1=O)C1=N[N-]N=N1	REAL300020163344	0	38	-1.0	-57.69	350.46	2.96	-54.73
CSCC[C@H](NC(=O)CN1N=CN2N=CC=C2C1=O)C1=NN=N[N-]1	REAL300020163344	1	38	-1.0	-57.69	350.51	2.98	-54.71
CSCC[C@H](NC(=O)CC1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020163345	0	46	-1.0	-47.36	380.31	7.16	-40.20
CSCC[C@H](NC(=O)CC1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020163345	1	46	-1.0	-47.40	380.36	7.18	-40.22
CSCC[C@H](NC(=O)CC(C)C(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163346	0	44	-1.0	-44.41	379.26	5.89	-38.52
CSCC[C@H](NC(=O)CC(C)C(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163346	1	44	-1.0	-44.41	379.32	5.91	-38.50
CSCC[C@H](NC(=O)C1=CC=NC(C2CC2)=N1)C1=N[N-]N=N1	REAL300020163347	0	38	-1.0	-44.51	342.14	3.82	-40.69
CSCC[C@H](NC(=O)C1=CC=NC(C2CC2)=N1)C1=NN=N[N-]1	REAL300020163347	1	38	-1.0	-44.54	342.20	3.84	-40.70
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)OC=N1)C1=NN=N[N-]1	REAL300020163348	0	39	-1.0	-48.48	353.06	2.49	-45.99
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)OC=N1)C1=N[N-]N=N1	REAL300020163348	1	39	-1.0	-48.46	353.00	2.48	-45.98
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC(C)C)C1=N[N-]N=N1	REAL300020163349	0	46	-1.0	-52.35	388.32	7.01	-45.34
CSCC[C@H](NC(=O)C1=CC=CC=C1OCC(C)C)C1=NN=N[N-]1	REAL300020163349	1	46	-1.0	-52.37	388.37	7.03	-45.34
CCOC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020163350	0	39	-1.0	-43.33	362.61	2.32	-41.01
CCOC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020163350	1	39	-1.0	-43.34	362.55	2.31	-41.03
CSCC[C@H](NC(=O)CCCS(C)(=O)=O)C1=N[N-]N=N1	REAL300020163351	0	38	-1.0	-60.61	347.28	0.09	-60.52
CSCC[C@H](NC(=O)CCCS(C)(=O)=O)C1=NN=N[N-]1	REAL300020163351	1	38	-1.0	-60.66	347.34	0.10	-60.56
CCCC(CC1CCCCC1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163352	0	54	-1.0	-45.92	418.58	7.42	-38.50
CCCC(CC1CCCCC1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163352	1	54	-1.0	-45.93	418.64	7.45	-38.48
CSCC[C@H](NC(=O)CC1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163353	0	46	-1.0	-45.54	376.40	6.99	-38.55
CSCC[C@H](NC(=O)CC1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163353	1	46	-1.0	-45.52	376.45	7.00	-38.52
CSCC[C@H](NC(=O)CC1CCC(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020163354	0	52	-1.0	-47.32	412.21	8.29	-39.03
CSCC[C@H](NC(=O)CC1CCC(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020163354	1	52	-1.0	-47.34	412.27	8.30	-39.04
CSCC[C@H](NC(=O)C1=CC=C(SC)O1)C1=N[N-]N=N1	REAL300020163355	0	34	-1.0	-44.12	325.01	3.28	-40.84
CSCC[C@H](NC(=O)C1=CC=C(SC)O1)C1=NN=N[N-]1	REAL300020163355	1	34	-1.0	-44.14	325.06	3.29	-40.85
CCC(C)C(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020163356	0	48	-1.0	-47.25	381.53	7.73	-39.52
CCC(C)C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020163356	1	48	-1.0	-47.21	381.59	7.76	-39.45
CSCC[C@H](NC(=O)C(C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163357	0	42	-1.0	-45.14	358.97	6.03	-39.11
CSCC[C@H](NC(=O)C(C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163357	1	42	-1.0	-45.16	359.03	6.05	-39.11
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C1=N[N-]N=N1	REAL300020163358	0	55	-1.0	-47.47	427.09	8.24	-39.23
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C1=NN=N[N-]1	REAL300020163358	1	55	-1.0	-47.44	427.15	8.26	-39.18
CSCC[C@H](NC(=O)C1=CN(C)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL300020163359	0	39	-1.0	-49.53	344.32	2.60	-46.93
CSCC[C@H](NC(=O)C1=CN(C)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL300020163359	1	39	-1.0	-49.49	344.37	2.62	-46.87
CSCC[C@H](NC(=O)C(C)OC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL300020163360	0	40	-1.0	-49.41	370.95	5.83	-43.58
CSCC[C@H](NC(=O)C(C)OC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL300020163360	1	40	-1.0	-49.44	371.01	5.84	-43.60
CSCC[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL300020163361	0	37	-1.0	-50.95	346.89	1.07	-49.88
CSCC[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL300020163361	1	37	-1.0	-51.02	346.94	1.08	-49.94
COC1=C(OC)C=C2NC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC2=C1	REAL300020163362	0	45	-1.0	-47.24	389.95	3.25	-43.99
COC1=C(OC)C=C2NC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC2=C1	REAL300020163362	1	45	-1.0	-47.22	390.01	3.26	-43.96
CSCC[C@H](NC(=O)CC1=CC=C(Br)S1)C1=N[N-]N=N1	REAL300020163363	0	33	-1.0	-44.47	334.06	4.60	-39.87
CSCC[C@H](NC(=O)CC1=CC=C(Br)S1)C1=NN=N[N-]1	REAL300020163363	1	33	-1.0	-44.49	334.12	4.62	-39.87
COC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020163364	0	35	-1.0	-44.44	319.61	-1.18	-45.62
COC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020163364	1	35	-1.0	-44.45	319.55	-1.20	-45.65
CSCC[C@H](NC(=O)CCCN1C=CC=CC1=O)C1=N[N-]N=N1	REAL300020163365	0	42	-1.0	-54.22	368.86	4.64	-49.58
CSCC[C@H](NC(=O)CCCN1C=CC=CC1=O)C1=NN=N[N-]1	REAL300020163365	1	42	-1.0	-54.20	368.92	4.65	-49.55
CSCC[C@H](NC(=O)C1=CC=CC(N2C=CC=N2)=C1)C1=NN=N[N-]1	REAL300020163366	0	40	-1.0	-56.71	355.92	5.31	-51.40
CSCC[C@H](NC(=O)C1=CC=CC(N2C=CC=N2)=C1)C1=N[N-]N=N1	REAL300020163366	1	40	-1.0	-56.72	355.86	5.29	-51.43
CSCC[C@H](NC(=O)C(C)[NH+]1CCCCCC1)C1=NN=N[N-]1	REAL300020163367	0	48	0.0	-51.13	367.85	4.93	-46.20
CSCC[C@H](NC(=O)CC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL300020163368	0	35	-1.0	-46.71	333.92	3.41	-43.30
CSCC[C@H](NC(=O)CC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL300020163368	1	35	-1.0	-46.67	333.87	3.40	-43.27
COCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163369	0	44	-1.0	-47.94	382.42	3.61	-44.33
COCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163369	1	44	-1.0	-47.99	382.47	3.62	-44.37
CCN1N=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CC1=O	REAL300020163370	0	38	-1.0	-43.24	341.83	2.09	-41.15
CCN1N=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CC1=O	REAL300020163370	1	38	-1.0	-43.22	341.89	2.11	-41.11
CSCC[C@H](NC(=O)C(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163371	0	37	-1.0	-45.48	329.74	2.82	-42.66
CSCC[C@H](NC(=O)C(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163371	1	37	-1.0	-45.50	329.80	2.84	-42.66
CCCCCC(O)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163372	0	45	-1.0	-48.60	378.81	3.25	-45.35
CCCCCC(O)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163372	1	45	-1.0	-48.58	378.87	3.27	-45.31
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163373	0	49	-1.0	-41.53	418.03	3.28	-38.25
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163373	1	49	-1.0	-41.50	418.08	3.29	-38.21
CSCC[C@H](NC(=O)C1=C(OC(F)F)C=C(C)S1)C1=N[N-]N=N1	REAL300020163374	0	37	-1.0	-50.09	349.35	4.43	-45.66
CSCC[C@H](NC(=O)C1=C(OC(F)F)C=C(C)S1)C1=NN=N[N-]1	REAL300020163374	1	37	-1.0	-50.09	349.41	4.44	-45.65
CSCC[C@H](NC(=O)COC1CCCCC1C)C1=N[N-]N=N1	REAL300020163375	0	46	-1.0	-48.19	378.42	5.41	-42.78
CSCC[C@H](NC(=O)COC1CCCCC1C)C1=NN=N[N-]1	REAL300020163375	1	46	-1.0	-48.23	378.48	5.42	-42.81
CSCC[C@H](NC(=O)C(C)CSC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163376	0	43	-1.0	-45.51	379.76	6.60	-38.91
CSCC[C@H](NC(=O)C(C)CSC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163376	1	43	-1.0	-45.53	379.82	6.62	-38.91
CSCC[C@H](NC(=O)CC1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020163377	0	40	-1.0	-49.93	360.23	4.39	-45.54
CSCC[C@H](NC(=O)CC1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020163377	1	40	-1.0	-49.95	360.28	4.40	-45.55
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163378	0	52	-1.0	-43.24	435.84	5.48	-37.76
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163378	1	52	-1.0	-43.27	435.90	5.49	-37.78
CSCC[C@H](NC(=O)C1CC(=O)N(C2CCC(C)CC2)C1)C1=N[N-]N=N1	REAL300020163379	0	53	-1.0	-48.80	424.48	5.71	-43.09
CSCC[C@H](NC(=O)C1CC(=O)N(C2CCC(C)CC2)C1)C1=NN=N[N-]1	REAL300020163379	1	53	-1.0	-48.81	424.54	5.72	-43.09
CSCC[C@H](NC(=O)C1(S(=O)(=O)C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020163380	0	43	-1.0	-55.38	384.94	3.35	-52.03
CSCC[C@H](NC(=O)C1(S(=O)(=O)C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020163380	1	43	-1.0	-55.37	384.99	3.36	-52.01
CCC(CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163381	0	45	-1.0	-44.96	371.60	6.37	-38.59
CCC(CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163381	1	45	-1.0	-44.95	371.65	6.39	-38.56
CSCC[C@H](NC(=O)C1=CSC(C2=COC=C2)=N1)C1=NN=N[N-]1	REAL300020163382	0	36	-1.0	-47.37	347.98	2.92	-44.45
CSCC[C@H](NC(=O)C1=CSC(C2=COC=C2)=N1)C1=N[N-]N=N1	REAL300020163382	1	36	-1.0	-47.39	347.92	2.90	-44.49
CSCC[C@H](NC(=O)C1=C(S(=O)(=O)C(F)F)C=CS1)C1=N[N-]N=N1	REAL300020163383	0	36	-1.0	-50.71	350.50	1.93	-48.78
CSCC[C@H](NC(=O)C1=C(S(=O)(=O)C(F)F)C=CS1)C1=NN=N[N-]1	REAL300020163383	1	36	-1.0	-50.69	350.56	1.94	-48.75
CCCC(CC1CCCC1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163384	0	51	-1.0	-46.64	405.32	7.09	-39.55
CCCC(CC1CCCC1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163384	1	51	-1.0	-46.66	405.38	7.10	-39.56
CSCC[C@H](NC(=O)C1(C2=CC=C(C(C)C)C=C2)CCCC1)C1=N[N-]N=N1	REAL300020163385	0	55	-1.0	-46.01	435.73	9.20	-36.81
CSCC[C@H](NC(=O)C1(C2=CC=C(C(C)C)C=C2)CCCC1)C1=NN=N[N-]1	REAL300020163385	1	55	-1.0	-45.98	435.79	9.22	-36.76
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2C)N=C1)C1=NN=N[N-]1	REAL300020163386	0	43	-1.0	-47.62	374.18	6.18	-41.44
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2C)N=C1)C1=N[N-]N=N1	REAL300020163386	1	43	-1.0	-47.61	374.12	6.17	-41.44
CSCC[C@H](NC(=O)C1=CC=C(N2N=C(C)C=C2C)C(F)=C1)C1=N[N-]N=N1	REAL300020163387	0	46	-1.0	-48.69	404.96	6.48	-42.21
CSCC[C@H](NC(=O)C1=CC=C(N2N=C(C)C=C2C)C(F)=C1)C1=NN=N[N-]1	REAL300020163387	1	46	-1.0	-48.68	405.01	6.50	-42.18
COC(=O)NC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)C	REAL300020163388	0	43	-1.0	-41.67	361.92	1.16	-40.51
COC(=O)NC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)C	REAL300020163388	1	43	-1.0	-41.71	361.97	1.17	-40.54
COC1=CC=C(C=O)C(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020163389	0	43	-1.0	-59.93	381.51	4.71	-55.22
COC1=CC=C(C=O)C(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163389	1	43	-1.0	-59.94	381.56	4.73	-55.21
COC1=CC=CC=C1CC(C)(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163390	0	49	-1.0	-47.28	398.04	5.95	-41.33
COC1=CC=CC=C1CC(C)(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163390	1	49	-1.0	-47.28	398.10	5.97	-41.31
CSCC[C@H](NC(=O)C=CC1=CC=C(N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300020163391	0	50	-1.0	-47.67	415.78	4.09	-43.58
CSCC[C@H](NC(=O)C=CC1=CC=C(N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300020163391	1	50	-1.0	-47.67	415.84	4.10	-43.57
CSCC[C@H](NC(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020163392	0	50	-1.0	-49.68	415.06	5.89	-43.79
CSCC[C@H](NC(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020163392	1	50	-1.0	-49.63	415.11	5.91	-43.72
CSCC[C@H](NC(=O)CC1=COC(C2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL300020163393	0	42	-1.0	-50.80	384.45	3.45	-47.35
CSCC[C@H](NC(=O)CC1=COC(C2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL300020163393	1	42	-1.0	-50.82	384.39	3.43	-47.39
CSCC[C@H](NC(=O)C(C)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020163394	0	39	-1.0	-44.90	343.12	5.33	-39.57
CSCC[C@H](NC(=O)C(C)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020163394	1	39	-1.0	-44.91	343.18	5.35	-39.56
CSCC[C@H](NC(=O)C1=CN=CC(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL300020163395	0	42	-1.0	-51.34	372.85	3.59	-47.75
CSCC[C@H](NC(=O)C1=CN=CC(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL300020163395	1	42	-1.0	-51.35	372.91	3.60	-47.75
CSCC[C@H](NC(=O)C(C)(C)CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163396	0	51	-1.0	-46.68	417.71	8.07	-38.61
CSCC[C@H](NC(=O)C(C)(C)CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163396	1	51	-1.0	-46.70	417.77	8.09	-38.61
CSCC[C@H](NC(=O)C1=CC=C(N2CCC(O)CC2)C=C1)C1=N[N-]N=N1	REAL300020163397	0	49	-1.0	-48.79	401.33	2.03	-46.76
CSCC[C@H](NC(=O)C1=CC=C(N2CCC(O)CC2)C=C1)C1=NN=N[N-]1	REAL300020163397	1	49	-1.0	-48.75	401.38	2.04	-46.71
CSCC[C@H](NC(=O)CCN1C=CN=C1C(C)C)C1=N[N-]N=N1	REAL300020163398	0	45	-1.0	-44.68	385.79	5.17	-39.51
CSCC[C@H](NC(=O)CCN1C=CN=C1C(C)C)C1=NN=N[N-]1	REAL300020163398	1	45	-1.0	-44.70	385.85	5.18	-39.52
CSCC[C@H](NC(=O)CCN1C=C[NH+]=C1C(C)C)C1=N[N-]N=N1	REAL300020163398	1	46	0.0	-55.03	383.14	5.65	-49.38
CSCC[C@H](NC(=O)CCN1C=C[NH+]=C1C(C)C)C1=NN=N[N-]1	REAL300020163398	1	46	0.0	-55.06	383.19	5.67	-49.39
CSCC[C@H](NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020163399	0	48	0.0	-54.58	396.98	6.32	-48.26
CSCC[C@H](NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020163399	1	48	0.0	-54.60	397.04	6.34	-48.26
CSCC[C@H](NC(=O)C1=CC=C(C(=O)NCC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020163400	0	52	-1.0	-47.14	432.82	5.45	-41.69
CSCC[C@H](NC(=O)C1=CC=C(C(=O)NCC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020163400	1	52	-1.0	-47.16	432.87	5.47	-41.69
CSCC[C@H](NC(=O)C1=CNC(C)=CC1=O)C1=N[N-]N=N1	REAL300020163401	0	36	-1.0	-59.46	321.92	2.62	-56.84
CSCC[C@H](NC(=O)C1=CNC(C)=CC1=O)C1=NN=N[N-]1	REAL300020163401	1	36	-1.0	-59.40	321.97	2.63	-56.77
COC1=CC=CC(F)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163402	0	37	-1.0	-52.58	336.74	3.33	-49.25
COC1=CC=CC(F)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163402	1	37	-1.0	-52.59	336.80	3.34	-49.25
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CN(C)N=C2)S1)C1=NN=N[N-]1	REAL300020163403	0	42	-1.0	-47.86	386.29	3.43	-44.43
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CN(C)N=C2)S1)C1=N[N-]N=N1	REAL300020163403	1	42	-1.0	-47.87	386.23	3.42	-44.45
CSCC[C@H](NC(=O)C1=CC=C(NC=O)C=C1)C1=N[N-]N=N1	REAL300020163404	0	37	-1.0	-55.87	332.03	2.27	-53.60
CSCC[C@H](NC(=O)C1=CC=C(NC=O)C=C1)C1=NN=N[N-]1	REAL300020163404	1	37	-1.0	-55.86	332.09	2.29	-53.57
CSCC[C@H](NC(=O)C1=CC(I)=CN1)C1=N[N-]N=N1	REAL300020163405	0	31	-1.0	-46.02	312.88	2.97	-43.05
CSCC[C@H](NC(=O)C1=CC(I)=CN1)C1=NN=N[N-]1	REAL300020163405	1	31	-1.0	-46.09	312.94	2.99	-43.10
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163406	0	54	-1.0	-42.96	427.34	4.15	-38.81
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163406	1	54	-1.0	-42.98	427.40	4.17	-38.81
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020163407	0	42	-1.0	-50.01	369.52	6.21	-43.80
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020163407	1	42	-1.0	-50.00	369.58	6.23	-43.77
CSCC[C@H](NC(=O)C1CCCN(C(=O)C2=CC=NC=C2)C1)C1=NN=N[N-]1	REAL300020163408	0	49	-1.0	-49.83	409.30	4.13	-45.70
CSCC[C@H](NC(=O)C1CCCN(C(=O)C2=CC=NC=C2)C1)C1=N[N-]N=N1	REAL300020163408	1	49	-1.0	-49.83	409.25	4.11	-45.72
CCN(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020163409	0	49	-1.0	-47.80	409.35	4.82	-42.98
CCN(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020163409	1	49	-1.0	-47.76	409.41	4.84	-42.92
CSCC[C@H](NC(=O)C1COCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020163410	0	51	-1.0	-49.49	412.82	3.13	-46.36
CSCC[C@H](NC(=O)C1COCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020163410	1	51	-1.0	-49.52	412.88	3.14	-46.38
CSCC[C@H](NC(=O)C1=CC=C(C2=NN=C(C)O2)C=C1)C1=N[N-]N=N1	REAL300020163411	0	41	-1.0	-49.20	370.34	0.76	-48.44
CSCC[C@H](NC(=O)C1=CC=C(C2=NN=C(C)O2)C=C1)C1=NN=N[N-]1	REAL300020163411	1	41	-1.0	-49.20	370.40	0.77	-48.43
CSCC[C@H](NC(=O)CC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020163412	0	38	-1.0	-53.95	350.37	5.43	-48.52
CSCC[C@H](NC(=O)CC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020163412	1	38	-1.0	-54.01	350.43	5.45	-48.56
CSCC[C@H](NC(=O)C(C)CC1=C(C)NN=C1C)C1=N[N-]N=N1	REAL300020163413	0	45	-1.0	-45.75	373.63	3.34	-42.41
CSCC[C@H](NC(=O)C(C)CC1=C(C)NN=C1C)C1=NN=N[N-]1	REAL300020163413	1	45	-1.0	-45.74	373.68	3.36	-42.38
CSCC[C@H](NC(=O)C1=NOC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020163414	0	41	-1.0	-44.37	359.39	4.10	-40.27
CSCC[C@H](NC(=O)C1=NOC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020163414	1	41	-1.0	-44.40	359.33	4.09	-40.31
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020163415	0	40	-1.0	-45.83	342.99	4.06	-41.77
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020163415	1	40	-1.0	-45.81	343.05	4.08	-41.73
COC1=CC=C2SC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C(C)C2=C1	REAL300020163416	0	43	-1.0	-46.55	380.78	5.40	-41.15
COC1=CC=C2SC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C(C)C2=C1	REAL300020163416	1	43	-1.0	-46.57	380.84	5.42	-41.15
CSCC[C@H](NC(=O)C1=CC=C(C2=NNC(C)=N2)C=C1)C1=N[N-]N=N1	REAL300020163417	0	42	-1.0	-50.48	374.56	4.81	-45.67
CSCC[C@H](NC(=O)C1=CC=C(C2=NNC(C)=N2)C=C1)C1=NN=N[N-]1	REAL300020163417	1	42	-1.0	-50.46	374.62	4.83	-45.63
CCN1CCOC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020163418	0	42	-1.0	-47.31	350.41	1.32	-45.99
CCN1CCOC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020163418	1	42	-1.0	-47.34	350.47	1.33	-46.01
CC[N@@H+]1CCOC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020163418	1	43	0.0	-66.20	345.84	3.45	-62.75
CC[N@H+]1CCOC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020163418	1	43	0.0	-71.03	352.96	3.61	-67.42
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=NS1)C1=NN=N[N-]1	REAL300020163419	0	39	-1.0	-44.26	362.44	5.31	-38.95
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=NS1)C1=N[N-]N=N1	REAL300020163419	1	39	-1.0	-44.21	362.38	5.29	-38.92
CSCC[C@H](NC(=O)C1=C(F)C=C(F)C=C1F)C1=N[N-]N=N1	REAL300020163420	0	33	-1.0	-46.44	320.22	4.10	-42.34
CSCC[C@H](NC(=O)C1=C(F)C=C(F)C=C1F)C1=NN=N[N-]1	REAL300020163420	1	33	-1.0	-46.44	320.28	4.12	-42.32
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020163421	0	38	-1.0	-52.13	345.62	6.09	-46.04
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020163421	1	38	-1.0	-52.13	345.68	6.10	-46.03
CSCC[C@H](NC(=O)C1=CC(NC(=O)C(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL300020163422	0	46	-1.0	-48.46	405.79	4.96	-43.50
CSCC[C@H](NC(=O)C1=CC(NC(=O)C(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL300020163422	1	46	-1.0	-48.49	405.85	4.97	-43.52
CSCC[C@H](NC(=O)C(=O)NCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020163423	0	40	-1.0	-41.84	367.23	2.52	-39.32
CSCC[C@H](NC(=O)C(=O)NCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020163423	1	40	-1.0	-41.84	367.28	2.54	-39.30
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)N1CCCC1=O	REAL300020163424	0	43	-1.0	-62.38	361.30	4.78	-57.60
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)N1CCCC1=O	REAL300020163424	1	43	-1.0	-62.38	361.35	4.79	-57.59
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020163425	0	42	-1.0	-44.95	375.71	3.27	-41.68
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020163425	1	42	-1.0	-44.95	375.65	3.26	-41.69
CSCC[C@H](NC(=O)C(CC1CCCCC1)C(C)C)C1=N[N-]N=N1	REAL300020163426	0	54	-1.0	-47.64	415.06	7.27	-40.37
CSCC[C@H](NC(=O)C(CC1CCCCC1)C(C)C)C1=NN=N[N-]1	REAL300020163426	1	54	-1.0	-47.65	415.11	7.28	-40.37
CCN1N=C(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1Cl	REAL300020163427	0	39	-1.0	-45.84	363.80	3.58	-42.26
CCN1N=C(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1Cl	REAL300020163427	1	39	-1.0	-45.85	363.86	3.60	-42.25
CSCC[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=NN=N[N-]1	REAL300020163428	0	45	0.0	-70.34	387.02	5.15	-65.19
CSCC[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=N[N-]N=N1	REAL300020163428	1	45	0.0	-70.34	386.96	5.14	-65.20
COC1=CC=CC(NC2=CC=CC=C2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020163429	0	49	-1.0	-50.80	417.85	6.06	-44.74
COC1=CC=CC(NC2=CC=CC=C2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163429	1	49	-1.0	-50.79	417.91	6.08	-44.71
CSCC[C@H](NC(=O)C1=C(C(C)C)OC=N1)C1=NN=N[N-]1	REAL300020163430	0	38	-1.0	-46.62	336.08	0.92	-45.70
CSCC[C@H](NC(=O)C1=C(C(C)C)OC=N1)C1=N[N-]N=N1	REAL300020163430	1	38	-1.0	-46.65	336.03	0.91	-45.74
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020163431	0	41	-1.0	-46.79	362.62	5.44	-41.35
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020163431	1	41	-1.0	-46.76	362.68	5.46	-41.30
CSCC[C@H](NC(=O)C1CC1C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020163432	0	40	-1.0	-49.12	358.17	6.11	-43.01
CSCC[C@H](NC(=O)C1CC1C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020163432	1	40	-1.0	-49.16	358.23	6.12	-43.04
CSCC[C@H](NC(=O)CCCC(=O)N(C)C)C1=N[N-]N=N1	REAL300020163433	0	42	-1.0	-57.56	360.65	2.83	-54.73
CSCC[C@H](NC(=O)CCCC(=O)N(C)C)C1=NN=N[N-]1	REAL300020163433	1	42	-1.0	-57.60	360.71	2.85	-54.75
CSCC[C@H](NC(=O)C1=C(C)N(CCCl)N=C1C)C1=N[N-]N=N1	REAL300020163434	0	42	-1.0	-44.71	384.77	4.30	-40.41
CSCC[C@H](NC(=O)C1=C(C)N(CCCl)N=C1C)C1=NN=N[N-]1	REAL300020163434	1	42	-1.0	-44.69	384.83	4.32	-40.37
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1N1C=CN=C1)C1=N[N-]N=N1	REAL300020163435	0	43	-1.0	-51.46	373.74	7.07	-44.39
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1N1C=CN=C1)C1=NN=N[N-]1	REAL300020163435	1	43	-1.0	-51.43	373.79	7.09	-44.34
CSCC[C@H](NC(=O)C1=CC=C(C)C(OC2=CC=NC=C2)=C1)C1=N[N-]N=N1	REAL300020163436	0	46	-1.0	-49.74	400.82	5.84	-43.90
CSCC[C@H](NC(=O)C1=CC=C(C)C(OC2=CC=NC=C2)=C1)C1=NN=N[N-]1	REAL300020163436	1	46	-1.0	-49.77	400.88	5.85	-43.92
CSCC[C@H](NC(=O)CCC1=CN(C)N=C1C)C1=N[N-]N=N1	REAL300020163437	0	42	-1.0	-47.45	366.52	3.88	-43.57
CSCC[C@H](NC(=O)CCC1=CN(C)N=C1C)C1=NN=N[N-]1	REAL300020163437	1	42	-1.0	-47.45	366.58	3.89	-43.56
CSCC[C@H](NC(=O)C1=C(C2CCCO2)OC=N1)C1=NN=N[N-]1	REAL300020163438	0	40	-1.0	-46.54	351.40	-0.19	-46.73
CSCC[C@H](NC(=O)C1=C(C2CCCO2)OC=N1)C1=N[N-]N=N1	REAL300020163438	1	40	-1.0	-46.53	351.34	-0.21	-46.74
CSCC[C@H](NC(=O)CC(C)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020163439	0	42	-1.0	-47.53	363.41	6.08	-41.45
CSCC[C@H](NC(=O)CC(C)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020163439	1	42	-1.0	-47.55	363.46	6.09	-41.46
CCC(CC1CCCCC1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163440	0	51	-1.0	-47.34	397.78	6.97	-40.37
CCC(CC1CCCCC1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163440	1	51	-1.0	-47.34	397.84	6.99	-40.35
CSCC[C@H](NC(=O)CCC1=CSC(C)=N1)C1=N[N-]N=N1	REAL300020163441	0	38	-1.0	-47.26	349.80	3.29	-43.97
CSCC[C@H](NC(=O)CCC1=CSC(C)=N1)C1=NN=N[N-]1	REAL300020163441	1	38	-1.0	-47.27	349.86	3.31	-43.96
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)N1N=NN=C1C)C1=N[N-]N=N1	REAL300020163442	0	47	-1.0	-59.27	412.36	5.53	-53.74
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)N1N=NN=C1C)C1=NN=N[N-]1	REAL300020163442	1	47	-1.0	-59.28	412.41	5.55	-53.73
CSCC[C@H](NC(=O)C=C(C)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020163443	0	43	-1.0	-44.81	369.61	6.63	-38.18
CSCC[C@H](NC(=O)C=C(C)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020163443	1	43	-1.0	-44.76	369.67	6.64	-38.12
CSCC[C@H](NC(=O)COC1CCOCC1)C1=N[N-]N=N1	REAL300020163444	0	41	-1.0	-50.13	349.82	2.37	-47.76
CSCC[C@H](NC(=O)COC1CCOCC1)C1=NN=N[N-]1	REAL300020163444	1	41	-1.0	-50.13	349.88	2.38	-47.75
CCCCC(CC)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163445	0	47	-1.0	-45.41	375.69	5.87	-39.54
CCCCC(CC)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163445	1	47	-1.0	-45.41	375.75	5.88	-39.53
CSCC[C@H](NC(=O)C=CC1=CSC(Br)=C1)C1=N[N-]N=N1	REAL300020163446	0	34	-1.0	-45.42	343.81	4.98	-40.44
CSCC[C@H](NC(=O)C=CC1=CSC(Br)=C1)C1=NN=N[N-]1	REAL300020163446	1	34	-1.0	-45.44	343.87	4.99	-40.45
CSCC[C@H](NC(=O)C1=C(S(=O)(=O)N(C)C)C=CS1)C1=N[N-]N=N1	REAL300020163447	0	41	-1.0	-62.57	381.73	2.23	-60.34
CSCC[C@H](NC(=O)C1=C(S(=O)(=O)N(C)C)C=CS1)C1=NN=N[N-]1	REAL300020163447	1	41	-1.0	-62.56	381.78	2.24	-60.32
CSCC[C@H](NC(=O)CC1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163448	0	43	-1.0	-47.19	359.82	6.52	-40.67
CSCC[C@H](NC(=O)CC1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163448	1	43	-1.0	-47.16	359.88	6.54	-40.62
CSCC[C@H](NC(=O)COC1CCCC(C)C1)C1=N[N-]N=N1	REAL300020163449	0	46	-1.0	-48.47	379.46	5.37	-43.10
CSCC[C@H](NC(=O)COC1CCCC(C)C1)C1=NN=N[N-]1	REAL300020163449	1	46	-1.0	-48.48	379.52	5.38	-43.10
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(N2CCCC2)=C1)C1=NN=N[N-]1	REAL300020163450	0	44	-1.0	-42.46	388.72	4.45	-38.01
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(N2CCCC2)=C1)C1=N[N-]N=N1	REAL300020163450	1	44	-1.0	-42.45	388.66	4.44	-38.01
CSCC[C@H](NC(=O)CC(C)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020163451	0	45	-1.0	-45.32	374.50	6.55	-38.77
CSCC[C@H](NC(=O)CC(C)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020163451	1	45	-1.0	-45.33	374.56	6.56	-38.77
CSCC[C@H](NC(=O)C(C)NS(C)(=O)=O)C1=N[N-]N=N1	REAL300020163452	0	37	-1.0	-51.39	336.43	-2.07	-53.46
CSCC[C@H](NC(=O)C(C)NS(C)(=O)=O)C1=NN=N[N-]1	REAL300020163452	1	37	-1.0	-51.36	336.49	-2.06	-53.42
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(O)C=C2)=N1)C1=N[N-]N=N1	REAL300020163453	0	40	-1.0	-47.88	375.78	2.04	-45.84
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(O)C=C2)=N1)C1=NN=N[N-]1	REAL300020163453	1	40	-1.0	-47.90	375.84	2.06	-45.84
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1CCC1)C1=N[N-]N=N1	REAL300020163454	0	44	-1.0	-53.04	373.29	6.90	-46.14
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1CCC1)C1=NN=N[N-]1	REAL300020163454	1	44	-1.0	-53.04	373.35	6.92	-46.12
COC1=CC=C(C2=NC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C(C)O2)C=C1	REAL300020163455	0	46	-1.0	-45.77	405.18	2.67	-43.10
COC1=CC=C(C2=NC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C(C)O2)C=C1	REAL300020163455	1	46	-1.0	-45.77	405.12	2.66	-43.11
CSCC[C@H](NC(=O)CCNC(=O)C1=NC=CC=C1O)C1=N[N-]N=N1	REAL300020163456	0	43	-1.0	-56.67	384.70	0.06	-56.61
CSCC[C@H](NC(=O)CCNC(=O)C1=NC=CC=C1O)C1=NN=N[N-]1	REAL300020163456	1	43	-1.0	-56.70	384.76	0.07	-56.63
CSCC[C@H](NC(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=N[N-]N=N1	REAL300020163456	1	42	-2.0	-109.72	381.14	1.06	-108.66
CSCC[C@H](NC(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=NN=N[N-]1	REAL300020163456	1	42	-2.0	-109.73	381.19	1.07	-108.66
CSCC[C@H](NC(=O)C(=O)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020163457	0	35	-1.0	-39.29	339.35	4.54	-34.75
CSCC[C@H](NC(=O)C(=O)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020163457	1	35	-1.0	-39.32	339.41	4.56	-34.76
CSCC[C@H](NC(=O)C1=CC=CC(OC2=CC=NC=C2)=C1)C1=N[N-]N=N1	REAL300020163458	0	43	-1.0	-49.01	381.08	5.19	-43.82
CSCC[C@H](NC(=O)C1=CC=CC(OC2=CC=NC=C2)=C1)C1=NN=N[N-]1	REAL300020163458	1	43	-1.0	-49.03	381.14	5.20	-43.83
CSCC[C@H](NC(=O)C1CSC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163459	0	38	-1.0	-46.98	344.22	5.60	-41.38
CSCC[C@H](NC(=O)C1CSC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163459	1	38	-1.0	-47.01	344.27	5.62	-41.39
CSCC[C@H](NC(=O)C1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL300020163460	0	39	-1.0	-51.99	341.47	0.40	-51.59
CSCC[C@H](NC(=O)C1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL300020163460	1	39	-1.0	-51.96	341.52	0.41	-51.55
CSCC[C@H](NC(=O)C1CCSCC1)C1=N[N-]N=N1	REAL300020163461	0	37	-1.0	-45.56	322.66	4.07	-41.49
CSCC[C@H](NC(=O)C1CCSCC1)C1=NN=N[N-]1	REAL300020163461	1	37	-1.0	-45.55	322.72	4.08	-41.47
CSCC[C@H](NC(=O)C1=NN(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020163462	0	39	-1.0	-49.46	343.23	3.25	-46.21
CSCC[C@H](NC(=O)C1=NN(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020163462	1	39	-1.0	-49.48	343.17	3.24	-46.24
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=O)=O)O1)C1=N[N-]N=N1	REAL300020163463	0	36	-1.0	-49.87	345.05	-0.31	-50.18
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=O)=O)O1)C1=NN=N[N-]1	REAL300020163463	1	36	-1.0	-49.89	345.11	-0.29	-50.18
CSCC[C@H](NC(=O)C(C)(C)OC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020163464	0	43	-1.0	-45.06	374.37	6.05	-39.01
CSCC[C@H](NC(=O)C(C)(C)OC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020163464	1	43	-1.0	-45.07	374.43	6.06	-39.01
CSCC[C@H](NC(=O)C(C)CC1CCCCC1)C1=N[N-]N=N1	REAL300020163465	0	48	-1.0	-45.41	380.10	6.24	-39.17
CSCC[C@H](NC(=O)C(C)CC1CCCCC1)C1=NN=N[N-]1	REAL300020163465	1	48	-1.0	-45.38	380.16	6.26	-39.12
CSCC[C@H](NC(=O)C1=CC2=C(C)C(C)=CC=C2N1)C1=N[N-]N=N1	REAL300020163466	0	43	-1.0	-46.24	368.96	5.20	-41.04
CSCC[C@H](NC(=O)C1=CC2=C(C)C(C)=CC=C2N1)C1=NN=N[N-]1	REAL300020163466	1	43	-1.0	-46.28	369.01	5.22	-41.06
CSCC[C@H](NC(=O)C1=CC2=C(C)C=C(F)C=C2N1)C1=N[N-]N=N1	REAL300020163467	0	40	-1.0	-43.84	358.49	4.73	-39.11
CSCC[C@H](NC(=O)C1=CC2=C(C)C=C(F)C=C2N1)C1=NN=N[N-]1	REAL300020163467	1	40	-1.0	-43.82	358.55	4.75	-39.07
CSCC[C@H](NC(=O)C1=CC=CC(COC2=CC=C(C)N=C2)=C1)C1=N[N-]N=N1	REAL300020163468	0	49	-1.0	-51.60	425.29	6.19	-45.41
CSCC[C@H](NC(=O)C1=CC=CC(COC2=CC=C(C)N=C2)=C1)C1=NN=N[N-]1	REAL300020163468	1	49	-1.0	-51.58	425.35	6.20	-45.38
CSCC[C@H](NC(=O)CC1CCC(C)CC1)C1=N[N-]N=N1	REAL300020163469	0	45	-1.0	-45.56	355.80	5.43	-40.13
CSCC[C@H](NC(=O)CC1CCC(C)CC1)C1=NN=N[N-]1	REAL300020163469	1	45	-1.0	-45.61	355.86	5.44	-40.17
CSCC[C@H](NC(=O)COCC1=NC(C)=NO1)C1=N[N-]N=N1	REAL300020163470	0	38	-1.0	-54.63	348.21	0.75	-53.88
CSCC[C@H](NC(=O)COCC1=NC(C)=NO1)C1=NN=N[N-]1	REAL300020163470	1	38	-1.0	-54.64	348.27	0.76	-53.88
CSCC[C@H](NC(=O)C(C)CC1CCCC1)C1=N[N-]N=N1	REAL300020163471	0	45	-1.0	-45.42	364.38	5.69	-39.73
CSCC[C@H](NC(=O)C(C)CC1CCCC1)C1=NN=N[N-]1	REAL300020163471	1	45	-1.0	-45.42	364.44	5.70	-39.72
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CSCC[C@H](NC(=O)C1=CC(C)=CC=C1N1CCCC1)C1=N[N-]N=N1	REAL300020163473	0	48	-1.0	-49.80	394.39	6.40	-43.40
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1N1CCCC1)C1=NN=N[N-]1	REAL300020163473	1	48	-1.0	-49.84	394.44	6.42	-43.42
CSCC[C@H](NC(=O)C1(C)CCCN1C(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163474	0	50	-1.0	-66.10	411.94	6.23	-59.87
CSCC[C@H](NC(=O)C1(C)CCCN1C(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163474	1	50	-1.0	-66.07	412.00	6.25	-59.82
CSCC[C@H](NC(=O)CCC1CCCCO1)C1=N[N-]N=N1	REAL300020163475	0	43	-1.0	-44.56	358.16	3.69	-40.87
CSCC[C@H](NC(=O)CCC1CCCCO1)C1=NN=N[N-]1	REAL300020163475	1	43	-1.0	-44.60	358.22	3.71	-40.89
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CSCC[C@H](NC(=O)C(C)OC1CCCCC1)C1=N[N-]N=N1	REAL300020163477	0	46	-1.0	-48.17	374.67	5.37	-42.80
CSCC[C@H](NC(=O)C(C)OC1CCCCC1)C1=NN=N[N-]1	REAL300020163477	1	46	-1.0	-48.19	374.73	5.38	-42.81
CSCC[C@H](NC(=O)C1(C2=CC=C(C)C=C2)CCOCC1)C1=N[N-]N=N1	REAL300020163478	0	50	-1.0	-45.53	402.82	5.71	-39.82
CSCC[C@H](NC(=O)C1(C2=CC=C(C)C=C2)CCOCC1)C1=NN=N[N-]1	REAL300020163478	1	50	-1.0	-45.48	402.88	5.72	-39.76
CCC1=NC(C)=NC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163479	0	40	-1.0	-42.91	344.62	3.41	-39.50
CCC1=NC(C)=NC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163479	1	40	-1.0	-42.95	344.67	3.43	-39.52
CSCC[C@H](NC(=O)CC1=CC=C(OCC#N)C=C1)C1=N[N-]N=N1	REAL300020163480	0	41	-1.0	-52.40	372.87	4.77	-47.63
CSCC[C@H](NC(=O)CC1=CC=C(OCC#N)C=C1)C1=NN=N[N-]1	REAL300020163480	1	41	-1.0	-52.41	372.93	4.78	-47.63
CCCCCCC(CC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163481	0	50	-1.0	-45.75	403.24	6.92	-38.83
CCCCCCC(CC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163481	1	50	-1.0	-45.72	403.29	6.94	-38.78
CSCC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL300020163482	0	38	-1.0	-63.38	334.91	-0.07	-63.45
CSCC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL300020163482	1	38	-1.0	-63.39	334.97	-0.06	-63.45
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1CCCC1)C1=N[N-]N=N1	REAL300020163483	0	47	-1.0	-52.94	390.41	7.51	-45.43
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1CCCC1)C1=NN=N[N-]1	REAL300020163483	1	47	-1.0	-52.89	390.47	7.53	-45.36
CSCC[C@H](NC(=O)CN1C(=O)CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163484	0	44	-1.0	-49.90	377.31	5.46	-44.44
CSCC[C@H](NC(=O)CN1C(=O)CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163484	1	44	-1.0	-49.91	377.37	5.47	-44.44
CSCC[C@H](NC(=O)C1CC1C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163485	0	46	-1.0	-48.05	392.66	8.22	-39.83
CSCC[C@H](NC(=O)C1CC1C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163485	1	46	-1.0	-47.99	392.72	8.24	-39.75
CSCC[C@H](NC(=O)CCCCOC1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020163486	0	47	-1.0	-47.74	415.87	6.33	-41.41
CSCC[C@H](NC(=O)CCCCOC1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020163486	1	47	-1.0	-47.76	415.92	6.34	-41.42
CSCC[C@H](NC(=O)C1=CC=C(C#N)C=N1)C1=NN=N[N-]1	REAL300020163487	0	33	-1.0	-44.53	315.65	2.79	-41.74
CSCC[C@H](NC(=O)C1=CC=C(C#N)C=N1)C1=N[N-]N=N1	REAL300020163487	1	33	-1.0	-44.55	315.59	2.77	-41.78
CSCC[C@H](NC(=O)C1=CC(C(C)C)=NO1)C1=N[N-]N=N1	REAL300020163488	0	38	-1.0	-41.67	338.69	3.38	-38.29
CSCC[C@H](NC(=O)C1=CC(C(C)C)=NO1)C1=NN=N[N-]1	REAL300020163488	1	38	-1.0	-41.66	338.75	3.39	-38.27
COC1=CC=C(C(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163489	0	43	-1.0	-46.90	367.58	4.61	-42.29
COC1=CC=C(C(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163489	1	43	-1.0	-46.91	367.63	4.63	-42.28
CSCC[C@H](NC(=O)C1=CN=C(C)N=C1C(C)C)C1=N[N-]N=N1	REAL300020163490	0	43	-1.0	-42.86	370.01	3.97	-38.89
CSCC[C@H](NC(=O)C1=CN=C(C)N=C1C(C)C)C1=NN=N[N-]1	REAL300020163490	1	43	-1.0	-42.88	370.06	3.98	-38.90
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(OCC(C)C)C=C1)C1=N[N-]N=N1	REAL300020163491	0	55	-1.0	-47.17	446.11	7.40	-39.77
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(OCC(C)C)C=C1)C1=NN=N[N-]1	REAL300020163491	1	55	-1.0	-47.14	446.17	7.41	-39.73
CSCC[C@H](NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020163492	0	50	0.0	-59.15	410.76	3.94	-55.21
CSCC[C@H](NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020163492	1	50	0.0	-58.12	411.50	3.98	-54.14
CSCC[C@H](NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020163492	1	50	0.0	-59.17	410.70	3.93	-55.24
CSCC[C@H](NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020163492	1	50	0.0	-58.12	411.44	3.97	-54.15
CSCC[C@H](NC(=O)CC1(O)CCCCC1)C1=N[N-]N=N1	REAL300020163493	0	43	-1.0	-43.08	346.09	3.08	-40.00
CSCC[C@H](NC(=O)CC1(O)CCCCC1)C1=NN=N[N-]1	REAL300020163493	1	43	-1.0	-43.12	346.15	3.09	-40.03
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1NC(=O)N(C)C)C1=N[N-]N=N1	REAL300020163494	0	48	-1.0	-47.89	401.92	4.99	-42.90
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1NC(=O)N(C)C)C1=NN=N[N-]1	REAL300020163494	1	48	-1.0	-47.90	401.98	5.01	-42.89
CCC(SC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163495	0	43	-1.0	-46.52	378.61	6.39	-40.13
CCC(SC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163495	1	43	-1.0	-46.48	378.67	6.40	-40.08
CSCC[C@H](NC(=O)C1=CC=NC(N(C)C)=C1)C1=NN=N[N-]1	REAL300020163496	0	40	-1.0	-46.60	346.57	3.94	-42.66
CSCC[C@H](NC(=O)C1=CC=NC(N(C)C)=C1)C1=N[N-]N=N1	REAL300020163496	1	40	-1.0	-46.60	346.51	3.92	-42.68
CSCC[C@H](NC(=O)CC1=CC=CC=C1NS(C)(=O)=O)C1=N[N-]N=N1	REAL300020163497	0	44	-1.0	-50.32	392.02	1.55	-48.77
CSCC[C@H](NC(=O)CC1=CC=CC=C1NS(C)(=O)=O)C1=NN=N[N-]1	REAL300020163497	1	44	-1.0	-50.32	392.08	1.56	-48.76
CSCC[C@H](NC(=O)C(C)OC1CCCC1)C1=N[N-]N=N1	REAL300020163498	0	43	-1.0	-48.20	357.98	4.71	-43.49
CSCC[C@H](NC(=O)C(C)OC1CCCC1)C1=NN=N[N-]1	REAL300020163498	1	43	-1.0	-48.20	358.04	4.73	-43.47
CSCC[C@H](NC(=O)CC1=NOC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020163499	0	42	-1.0	-51.66	376.40	5.90	-45.76
CSCC[C@H](NC(=O)CC1=NOC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020163499	1	42	-1.0	-51.67	376.34	5.88	-45.79
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1N1CCOCC1)C1=N[N-]N=N1	REAL300020163500	0	46	-1.0	-46.31	389.27	4.32	-41.99
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1N1CCOCC1)C1=NN=N[N-]1	REAL300020163500	1	46	-1.0	-46.32	389.33	4.33	-41.99
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC(C)=C1	REAL300020163501	0	37	-1.0	-52.29	339.58	4.18	-48.11
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC(C)=C1	REAL300020163501	1	37	-1.0	-52.30	339.64	4.19	-48.11
CSCC[C@H](NC(=O)C1=C(C2=CC=C(C)C=C2)OC=N1)C1=NN=N[N-]1	REAL300020163502	0	42	-1.0	-48.65	374.45	3.17	-45.48
CSCC[C@H](NC(=O)C1=C(C2=CC=C(C)C=C2)OC=N1)C1=N[N-]N=N1	REAL300020163502	1	42	-1.0	-48.58	374.40	3.15	-45.43
CSCC[C@H](NC(=O)C1CC12CCOC1=CC=CC=C12)C1=N[N-]N=N1	REAL300020163503	0	45	-1.0	-51.92	367.99	5.35	-46.57
CSCC[C@H](NC(=O)C1CC12CCOC1=CC=CC=C12)C1=NN=N[N-]1	REAL300020163503	1	45	-1.0	-51.92	368.05	5.36	-46.56
CSCC[C@H](NC(=O)C1=CN(C2CCCCC2)N=C1)C1=NN=N[N-]1	REAL300020163504	0	46	-1.0	-46.06	384.42	5.08	-40.98
CSCC[C@H](NC(=O)C1=CN(C2CCCCC2)N=C1)C1=N[N-]N=N1	REAL300020163504	1	46	-1.0	-46.03	384.36	5.07	-40.96
CNC(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020163505	0	40	-1.0	-58.53	353.96	2.38	-56.15
CNC(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163505	1	40	-1.0	-58.58	354.02	2.39	-56.19
CSCC[C@H](NC(=O)COC1=C(C)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020163506	0	40	-1.0	-48.58	368.78	5.93	-42.65
CSCC[C@H](NC(=O)COC1=C(C)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020163506	1	40	-1.0	-48.56	368.84	5.95	-42.61
CSCC[C@H](NC(=O)CCN1C(=O)SC(C)=C1C)C1=N[N-]N=N1	REAL300020163507	0	42	-1.0	-53.61	374.28	3.94	-49.67
CSCC[C@H](NC(=O)CCN1C(=O)SC(C)=C1C)C1=NN=N[N-]1	REAL300020163507	1	42	-1.0	-53.65	374.34	3.96	-49.69
CSCC[C@H](NC(=O)C1(C2=CC=CC(F)=C2)CC1)C1=N[N-]N=N1	REAL300020163508	0	40	-1.0	-44.89	355.04	5.85	-39.04
CSCC[C@H](NC(=O)C1(C2=CC=CC(F)=C2)CC1)C1=NN=N[N-]1	REAL300020163508	1	40	-1.0	-44.88	355.10	5.86	-39.02
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=NN1CC	REAL300020163509	0	41	-1.0	-47.13	358.45	2.50	-44.63
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=NN1CC	REAL300020163509	1	41	-1.0	-47.15	358.51	2.51	-44.64
CSCC[C@H](NC(=O)C1CC1C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020163510	0	40	-1.0	-47.22	375.53	7.05	-40.17
CSCC[C@H](NC(=O)C1CC1C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020163510	1	40	-1.0	-47.20	375.58	7.07	-40.13
CSCC[C@H](NC(=O)CCC1=CC(Cl)=CS1)C1=N[N-]N=N1	REAL300020163511	0	36	-1.0	-43.54	350.66	5.17	-38.37
CSCC[C@H](NC(=O)CCC1=CC(Cl)=CS1)C1=NN=N[N-]1	REAL300020163511	1	36	-1.0	-43.51	350.72	5.18	-38.33
CSCC[C@H](NC(=O)C1=CC=C(CN(C)C(=O)C(C)C)C=C1)C1=N[N-]N=N1	REAL300020163512	0	52	-1.0	-54.15	432.62	6.46	-47.69
CSCC[C@H](NC(=O)C1=CC=C(CN(C)C(=O)C(C)C)C=C1)C1=NN=N[N-]1	REAL300020163512	1	52	-1.0	-54.10	432.68	6.47	-47.63
CSCC[C@H](NC(=O)C1=CC=CC(OCC=C(C)C)=C1)C1=N[N-]N=N1	REAL300020163513	0	47	-1.0	-49.85	400.98	6.34	-43.51
CSCC[C@H](NC(=O)C1=CC=CC(OCC=C(C)C)=C1)C1=NN=N[N-]1	REAL300020163513	1	47	-1.0	-49.86	401.03	6.35	-43.51
CSCC[C@H](NC(=O)C1=CC=CC(OC2=NC=CS2)=C1)C1=NN=N[N-]1	REAL300020163514	0	40	-1.0	-52.21	372.77	2.84	-49.37
CSCC[C@H](NC(=O)C1=CC=CC(OC2=NC=CS2)=C1)C1=N[N-]N=N1	REAL300020163514	1	40	-1.0	-52.22	372.71	2.83	-49.39
CSCC[C@H](NC(=O)C1=CC=CC(OC2=CN=CC=N2)=C1)C1=NN=N[N-]1	REAL300020163515	0	42	-1.0	-51.58	379.00	2.60	-48.98
CSCC[C@H](NC(=O)C1=CC=CC(OC2=CN=CC=N2)=C1)C1=N[N-]N=N1	REAL300020163515	1	42	-1.0	-51.58	378.94	2.59	-48.99
CSCC[C@H](NC(=O)CC1=CNC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL300020163516	0	40	-1.0	-55.57	360.56	4.88	-50.69
CSCC[C@H](NC(=O)CC1=CNC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL300020163516	1	40	-1.0	-55.57	360.62	4.90	-50.67
CSCC[C@H](NC(=O)C(C)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020163517	0	39	-1.0	-45.64	344.50	5.38	-40.26
CSCC[C@H](NC(=O)C(C)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020163517	1	39	-1.0	-45.66	344.55	5.39	-40.27
CSCC[C@H](NC(=O)CCN1C(=O)CCC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300020163518	0	47	-1.0	-51.89	404.77	5.97	-45.92
CSCC[C@H](NC(=O)CCN1C(=O)CCC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300020163518	1	47	-1.0	-51.88	404.82	5.99	-45.89
CSCC[C@H](NC(=O)C1=CNC(Br)=C1)C1=N[N-]N=N1	REAL300020163519	0	31	-1.0	-49.10	306.47	2.43	-46.67
CSCC[C@H](NC(=O)C1=CNC(Br)=C1)C1=NN=N[N-]1	REAL300020163519	1	31	-1.0	-49.09	306.53	2.45	-46.64
CSCC[C@H](NC(=O)C1=CC=CC=C1C(C)=O)C1=N[N-]N=N1	REAL300020163520	0	38	-1.0	-62.56	337.11	5.78	-56.78
CSCC[C@H](NC(=O)C1=CC=CC=C1C(C)=O)C1=NN=N[N-]1	REAL300020163520	1	38	-1.0	-62.58	337.17	5.80	-56.78
COC1=CC=CC(Cl)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163521	0	37	-1.0	-51.38	346.24	3.71	-47.67
COC1=CC=CC(Cl)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163521	1	37	-1.0	-51.35	346.30	3.72	-47.63
CSCC[C@H](NC(=O)C(C)(O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163522	0	43	-1.0	-44.81	368.50	2.84	-41.97
CSCC[C@H](NC(=O)C(C)(O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163522	1	43	-1.0	-44.80	368.56	2.85	-41.95
CSCC[C@H](NC(=O)C1=C(Cl)N(C)N=C1C(C)C)C1=N[N-]N=N1	REAL300020163523	0	42	-1.0	-46.04	383.72	3.99	-42.05
CSCC[C@H](NC(=O)C1=C(Cl)N(C)N=C1C(C)C)C1=NN=N[N-]1	REAL300020163523	1	42	-1.0	-46.06	383.78	4.00	-42.06
CSCC[C@H](NC(=O)C(C)(C)NC(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163524	0	48	-1.0	-43.96	403.13	3.24	-40.72
CSCC[C@H](NC(=O)C(C)(C)NC(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163524	1	48	-1.0	-43.99	403.19	3.25	-40.74
CSCC[C@H](NC(=O)CC1OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163525	0	44	-1.0	-47.75	370.67	5.69	-42.06
CSCC[C@H](NC(=O)CC1OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163525	1	44	-1.0	-47.74	370.72	5.70	-42.04
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)CCN2C)C1=N[N-]N=N1	REAL300020163526	0	46	-1.0	-50.82	385.83	2.03	-48.79
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)CCN2C)C1=NN=N[N-]1	REAL300020163526	1	46	-1.0	-50.81	385.88	2.05	-48.76
CSCC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1=N[N-]N=N1	REAL300020163527	0	40	-1.0	-48.93	343.55	-1.46	-50.39
CSCC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1=NN=N[N-]1	REAL300020163527	1	40	-1.0	-48.93	343.61	-1.45	-50.38
CSCC[C@H](NC(=O)C1(SC2=CC=CC=C2)CCCC1)C1=N[N-]N=N1	REAL300020163528	0	47	-1.0	-43.94	394.13	7.36	-36.58
CSCC[C@H](NC(=O)C1(SC2=CC=CC=C2)CCCC1)C1=NN=N[N-]1	REAL300020163528	1	47	-1.0	-43.94	394.19	7.38	-36.56
CSCC[C@H](NC(=O)C1(CC2=CC=CC(Cl)=C2)CCCC1)C1=N[N-]N=N1	REAL300020163529	0	49	-1.0	-45.82	410.30	8.25	-37.57
CSCC[C@H](NC(=O)C1(CC2=CC=CC(Cl)=C2)CCCC1)C1=NN=N[N-]1	REAL300020163529	1	49	-1.0	-45.79	410.10	8.28	-37.51
CSCC[C@H](NC(=O)C1=CC(N2CCNC2=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300020163530	0	43	-1.0	-50.86	382.50	3.33	-47.53
CSCC[C@H](NC(=O)C1=CC(N2CCNC2=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300020163530	1	43	-1.0	-50.86	382.56	3.35	-47.51
CSCC[C@H](NC(=O)CC(CC1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163531	0	52	-1.0	-48.55	435.21	9.50	-39.05
CSCC[C@H](NC(=O)CC(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163531	1	52	-1.0	-48.55	435.27	9.51	-39.04
COCCOCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020163532	0	47	-1.0	-50.41	411.75	4.25	-46.16
COCCOCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020163532	1	47	-1.0	-50.42	411.81	4.27	-46.15
CSCC[C@H](NC(=O)C1=CC=CC(N2C=CC=N2)=N1)C1=NN=N[N-]1	REAL300020163533	0	39	-1.0	-46.71	355.50	4.66	-42.05
CSCC[C@H](NC(=O)C1=CC=CC(N2C=CC=N2)=N1)C1=N[N-]N=N1	REAL300020163533	1	39	-1.0	-46.75	355.44	4.64	-42.11
CSCC[C@H](NC(=O)C(C)C1=CC=CS1)C1=N[N-]N=N1	REAL300020163534	0	36	-1.0	-45.35	330.06	4.50	-40.85
CSCC[C@H](NC(=O)C(C)C1=CC=CS1)C1=NN=N[N-]1	REAL300020163534	1	36	-1.0	-45.37	330.12	4.52	-40.85
CSCC[C@H](NC(=O)C1=CC=CC(NC2=CC=C(C)N=N2)=C1)C1=NN=N[N-]1	REAL300020163535	0	46	-1.0	-51.02	401.14	5.60	-45.42
CSCC[C@H](NC(=O)C1=CC=CC(NC2=CC=C(C)N=N2)=C1)C1=N[N-]N=N1	REAL300020163535	1	46	-1.0	-51.01	401.08	5.58	-45.43
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2F)CC1)C1=N[N-]N=N1	REAL300020163536	0	40	-1.0	-55.10	356.84	5.96	-49.14
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2F)CC1)C1=NN=N[N-]1	REAL300020163536	1	40	-1.0	-55.06	356.89	5.98	-49.08
COC1=CC=C(COCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163537	0	47	-1.0	-45.96	407.09	4.16	-41.80
COC1=CC=C(COCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163537	1	47	-1.0	-45.97	407.15	4.18	-41.79
CSCC[C@H](NC(=O)C1=CC=CC(NC2=CC=C(C#N)C=C2)=C1)C1=N[N-]N=N1	REAL300020163538	0	46	-1.0	-49.07	409.72	6.83	-42.24
CSCC[C@H](NC(=O)C1=CC=CC(NC2=CC=C(C#N)C=C2)=C1)C1=NN=N[N-]1	REAL300020163538	1	46	-1.0	-49.04	409.77	6.84	-42.20
CSCC[C@H](NC(=O)C1=CC=CC(NC2=CN=CC=N2)=C1)C1=NN=N[N-]1	REAL300020163539	0	43	-1.0	-54.39	377.28	3.56	-50.83
CSCC[C@H](NC(=O)C1=CC=CC(NC2=CN=CC=N2)=C1)C1=N[N-]N=N1	REAL300020163539	1	43	-1.0	-54.42	377.22	3.54	-50.88
CSCC[C@H](NC(=O)CCSC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020163540	0	46	-1.0	-47.53	406.85	5.17	-42.36
CSCC[C@H](NC(=O)CCSC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020163540	1	46	-1.0	-47.51	406.90	5.18	-42.33
CSCC[C@H](NC(=O)C1=CC(N2C=CC=N2)=CC=N1)C1=NN=N[N-]1	REAL300020163541	0	39	-1.0	-55.54	353.64	3.58	-51.96
CSCC[C@H](NC(=O)C1=CC(N2C=CC=N2)=CC=N1)C1=N[N-]N=N1	REAL300020163541	1	39	-1.0	-55.55	353.58	3.57	-51.98
CSCC[C@H](NC(=O)C1=CC2=C(CCCCC2)NC1=O)C1=N[N-]N=N1	REAL300020163542	0	46	-1.0	-55.86	377.64	4.18	-51.68
CSCC[C@H](NC(=O)C1=CC2=C(CCCCC2)NC1=O)C1=NN=N[N-]1	REAL300020163542	1	46	-1.0	-55.86	377.70	4.20	-51.66
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL300020163543	0	32	-1.0	-43.49	311.55	2.87	-40.62
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL300020163543	1	32	-1.0	-43.46	311.50	2.86	-40.60
CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020163544	0	50	-1.0	-45.67	411.93	4.13	-41.54
CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020163544	1	50	-1.0	-45.68	411.99	4.15	-41.53
CSCC[C@H](NC(=O)C1=CC2=C(C=CO2)S1)C1=N[N-]N=N1	REAL300020163545	0	33	-1.0	-47.20	317.15	3.41	-43.79
CSCC[C@H](NC(=O)C1=CC2=C(C=CO2)S1)C1=NN=N[N-]1	REAL300020163545	1	33	-1.0	-47.20	317.21	3.43	-43.77
CSCC[C@H](NC(=O)C(C)N(C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163546	0	47	-1.0	-47.04	385.52	4.27	-42.77
CSCC[C@H](NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163546	1	48	0.0	-58.72	392.77	6.49	-52.23
CSCC[C@H](NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163546	1	48	0.0	-54.25	392.74	6.49	-47.76
CSCC[C@H](NC(=O)C(C)N(C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163546	1	47	-1.0	-47.07	385.58	4.28	-42.79
COC1=CC=C(Br)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163547	0	37	-1.0	-48.51	346.14	5.25	-43.26
COC1=CC=C(Br)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163547	1	37	-1.0	-48.49	346.20	5.27	-43.22
CSCC[C@H](NC(=O)C1=CSC(NC2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL300020163548	0	40	-1.0	-49.82	372.48	4.65	-45.17
CSCC[C@H](NC(=O)C1=CSC(NC2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL300020163548	1	40	-1.0	-49.80	372.42	4.64	-45.16
CSCC[C@H](NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020163549	0	35	-1.0	-44.04	342.45	5.26	-38.78
CSCC[C@H](NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020163549	1	35	-1.0	-44.04	342.51	5.27	-38.77
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300020163550	0	39	-1.0	-43.24	362.97	3.80	-39.44
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300020163550	1	39	-1.0	-43.25	362.91	3.79	-39.46
CSCC[C@H](NC(=O)CC(C)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020163551	0	45	-1.0	-44.61	395.73	7.00	-37.61
CSCC[C@H](NC(=O)CC(C)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020163551	1	45	-1.0	-44.61	395.79	7.02	-37.59
CSCC[C@H](NC(=O)CC(C)C1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020163552	0	51	-1.0	-44.45	417.23	7.94	-36.51
CSCC[C@H](NC(=O)CC(C)C1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020163552	1	51	-1.0	-44.47	417.28	7.96	-36.51
CSCC[C@H](NC(=O)C(C)CC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020163553	0	42	-1.0	-48.37	359.86	5.97	-42.40
CSCC[C@H](NC(=O)C(C)CC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020163553	1	42	-1.0	-48.38	359.92	5.98	-42.40
CSCC[C@H](NC(=O)C1=C(C)C=C(C)NC1=O)C1=N[N-]N=N1	REAL300020163554	0	39	-1.0	-58.04	337.38	2.57	-55.47
CSCC[C@H](NC(=O)C1=C(C)C=C(C)NC1=O)C1=NN=N[N-]1	REAL300020163554	1	39	-1.0	-58.00	337.44	2.59	-55.41
CSCC[C@H](NC(=O)C1CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163555	0	37	-1.0	-46.67	327.20	5.31	-41.36
CSCC[C@H](NC(=O)C1CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163555	1	37	-1.0	-46.70	327.26	5.33	-41.37
CSCC[C@H](NC(=O)C1=C(F)C=C(OC(F)F)C=C1F)C1=N[N-]N=N1	REAL300020163556	0	37	-1.0	-49.60	352.97	3.61	-45.99
CSCC[C@H](NC(=O)C1=C(F)C=C(OC(F)F)C=C1F)C1=NN=N[N-]1	REAL300020163556	1	37	-1.0	-49.57	353.03	3.62	-45.95
CSCC[C@H](NC(=O)COC1=CC=CC(Cl)=C1C)C1=N[N-]N=N1	REAL300020163557	0	40	-1.0	-49.05	365.20	5.79	-43.26
CSCC[C@H](NC(=O)COC1=CC=CC(Cl)=C1C)C1=NN=N[N-]1	REAL300020163557	1	40	-1.0	-49.08	365.25	5.81	-43.27
CSCC[C@H](NC(=O)C(C)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020163558	0	42	-1.0	-46.11	359.51	5.98	-40.13
CSCC[C@H](NC(=O)C(C)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020163558	1	42	-1.0	-46.08	359.56	5.99	-40.09
COC1=CC=C(SCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020163559	0	48	-1.0	-47.39	421.05	5.23	-42.16
COC1=CC=C(SCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020163559	1	48	-1.0	-47.40	421.11	5.24	-42.16
CSCC[C@H](NC(=O)C(C)CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020163560	0	45	-1.0	-44.53	397.66	7.05	-37.48
CSCC[C@H](NC(=O)C(C)CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020163560	1	45	-1.0	-44.56	397.72	7.06	-37.50
CSCC[C@H](NC(=O)C1=CC(=O)NC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300020163561	0	39	-1.0	-48.32	350.88	3.24	-45.08
CSCC[C@H](NC(=O)C1=CC(=O)NC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300020163561	1	39	-1.0	-48.32	350.94	3.25	-45.07
CSCC[C@H](NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020163562	0	55	-1.0	-46.79	436.70	3.24	-43.55
CSCC[C@H](NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020163562	1	55	-1.0	-46.83	436.76	3.25	-43.58
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020163563	0	42	-1.0	-51.61	359.20	5.76	-45.85
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020163563	1	42	-1.0	-51.59	359.26	5.77	-45.82
CSCC[C@H](NC(=O)C(CC(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163564	0	48	-1.0	-48.24	397.12	7.22	-41.02
CSCC[C@H](NC(=O)C(CC(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163564	1	48	-1.0	-48.28	397.17	7.23	-41.05
CSCC[C@H](NC(=O)C(C)CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020163565	0	45	-1.0	-43.94	397.66	7.04	-36.90
CSCC[C@H](NC(=O)C(C)CC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020163565	1	45	-1.0	-43.93	397.72	7.05	-36.88
CSCC[C@H](NC(=O)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1)C1=NN=N[N-]1	REAL300020163566	0	41	-1.0	-55.67	383.96	6.30	-49.37
CSCC[C@H](NC(=O)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1)C1=N[N-]N=N1	REAL300020163566	1	41	-1.0	-55.66	383.90	6.28	-49.38
CSCC[C@H](NC(=O)C(C)C1=CSC=C1)C1=N[N-]N=N1	REAL300020163567	0	36	-1.0	-45.05	329.16	4.32	-40.73
CSCC[C@H](NC(=O)C(C)C1=CSC=C1)C1=NN=N[N-]1	REAL300020163567	1	36	-1.0	-45.07	329.22	4.33	-40.74
CSCC[C@H](NC(=O)C1=COC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020163568	0	39	-1.0	-46.15	357.78	2.55	-43.60
CSCC[C@H](NC(=O)C1=COC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020163568	1	39	-1.0	-46.15	357.73	2.54	-43.61
CSCC[C@H](NC(=O)C(SC)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163569	0	40	-1.0	-46.90	359.94	6.02	-40.88
CSCC[C@H](NC(=O)C(SC)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163569	1	40	-1.0	-46.88	359.99	6.04	-40.84
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020163570	0	45	-1.0	-60.48	385.33	3.86	-56.62
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020163570	1	45	-1.0	-60.48	385.39	3.87	-56.61
CSCC[C@H](NC(=O)CC1=CSC(C2=COC=C2)=N1)C1=NN=N[N-]1	REAL300020163571	0	39	-1.0	-50.70	368.99	3.75	-46.95
CSCC[C@H](NC(=O)CC1=CSC(C2=COC=C2)=N1)C1=N[N-]N=N1	REAL300020163571	1	39	-1.0	-50.75	368.93	3.74	-47.01
CSCC[C@H](NC(=O)C1CCCN1CC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020163572	0	47	-1.0	-49.41	395.66	3.38	-46.03
CSCC[C@H](NC(=O)C1CCCN1CC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020163572	1	47	-1.0	-49.36	395.71	3.40	-45.96
CSCC[C@H](NC(=O)C[NH+]1C(C)CCC1C)C1=NN=N[N-]1	REAL300020163573	0	45	0.0	-52.97	355.72	4.57	-48.40
CSCC[C@H](NC(=O)C1=NC=CN2C=CN=C12)C1=NN=N[N-]1	REAL300020163574	0	35	-1.0	-58.15	321.41	3.09	-55.06
CSCC[C@H](NC(=O)C1=NC=CN2C=CN=C12)C1=N[N-]N=N1	REAL300020163574	1	35	-1.0	-58.14	321.36	3.08	-55.06
CSCC[C@H](NC(=O)C1=CC=CC=C1CN1C=CC=N1)C1=NN=N[N-]1	REAL300020163575	0	43	-1.0	-44.82	371.32	5.67	-39.15
CSCC[C@H](NC(=O)C1=CC=CC=C1CN1C=CC=N1)C1=N[N-]N=N1	REAL300020163575	1	43	-1.0	-44.82	371.27	5.66	-39.16
CSCC[C@H](NC(=O)CCC1=NC(C2=COC=C2)=NO1)C1=NN=N[N-]1	REAL300020163576	0	41	-1.0	-47.37	376.46	2.18	-45.19
CSCC[C@H](NC(=O)CCC1=NC(C2=COC=C2)=NO1)C1=N[N-]N=N1	REAL300020163576	1	41	-1.0	-47.32	376.40	2.16	-45.16
CSCC[C@H](NC(=O)C1=CC=NC(N2C=CC=N2)=C1)C1=NN=N[N-]1	REAL300020163577	0	39	-1.0	-52.47	353.49	4.62	-47.85
CSCC[C@H](NC(=O)C1=CC=NC(N2C=CC=N2)=C1)C1=N[N-]N=N1	REAL300020163577	1	39	-1.0	-52.43	353.43	4.60	-47.83
CSCCC(NC(=O)C1CC2COCC(C1)C2=O)C1=N[N-]N=N1	REAL300020163578	0	43	-1.0	-46.94	350.15	3.77	-43.17
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CSCC[C@H](NC(=O)C1=C2C=CC=CN2C(C)=N1)C1=NN=N[N-]1	REAL300020163612	1	39	-1.0	-56.33	347.28	5.23	-51.10
CSCC[C@H](NC(=O)C1CC2=CC(F)=CC=C2O1)C1=N[N-]N=N1	REAL300020163613	0	38	-1.0	-49.05	342.87	5.00	-44.05
CSCC[C@H](NC(=O)C1CC2=CC(F)=CC=C2O1)C1=NN=N[N-]1	REAL300020163613	1	38	-1.0	-49.07	342.93	5.01	-44.06
CSCC[C@H](NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300020163614	0	45	0.0	-65.93	375.88	5.98	-59.95
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CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC(F)=C2)=N1)C1=N[N-]N=N1	REAL300020163627	1	38	-1.0	-45.65	358.83	2.74	-42.91
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CSCC[C@H](NC(=O)C(C)OC1=CC=C(SC)C=C1)C1=NN=N[N-]1	REAL300020163629	1	44	-1.0	-48.87	387.96	6.30	-42.57
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CCCNC(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163630	1	46	-1.0	-57.86	397.01	3.99	-53.87
CSCC[C@H](NC(=O)C1=CC=CC(C2=NN=C(C)O2)=C1)C1=N[N-]N=N1	REAL300020163631	0	41	-1.0	-56.11	370.43	0.76	-55.35
CSCC[C@H](NC(=O)C1=CC=CC(C2=NN=C(C)O2)=C1)C1=NN=N[N-]1	REAL300020163631	1	41	-1.0	-56.11	370.48	0.77	-55.34
CSCC[C@H](NC(=O)C(C)N1C(=O)C2C3CCC(O3)C2C1=O)C1=N[N-]N=N1	REAL300020163632	0	48	-1.0	-52.59	390.09	3.22	-49.37
CSCC[C@H](NC(=O)C(C)N1C(=O)C2C3CCC(O3)C2C1=O)C1=NN=N[N-]1	REAL300020163632	1	48	-1.0	-52.57	390.15	3.24	-49.33
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163633	0	47	-1.0	-54.55	408.39	4.79	-49.76
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163633	1	47	-1.0	-54.56	408.34	4.78	-49.78
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CCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C(C)C)=N1	REAL300020163634	1	45	-1.0	-49.48	383.72	4.61	-44.87
CSCC[C@H](NC(=O)CCCOC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020163635	0	42	-1.0	-49.68	368.46	3.39	-46.29
CSCC[C@H](NC(=O)CCCOC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020163635	1	42	-1.0	-49.68	368.40	3.37	-46.31
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CCC1=CC=C(C(C)CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163636	1	48	-1.0	-44.60	399.95	7.47	-37.13
CCC(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL300020163637	0	48	-1.0	-44.67	398.11	7.32	-37.35
CCC(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL300020163637	1	48	-1.0	-44.67	398.16	7.33	-37.34
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)N2CCCC2)=N1)C1=NN=N[N-]1	REAL300020163638	0	46	-1.0	-45.63	393.70	4.31	-41.32
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)N2CCCC2)=N1)C1=N[N-]N=N1	REAL300020163638	1	46	-1.0	-45.63	393.65	4.29	-41.34
CSCC[C@H](NC(=O)C1=CC=NC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020163639	0	39	-1.0	-47.20	366.40	2.22	-44.98
CSCC[C@H](NC(=O)C1=CC=NC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020163639	1	39	-1.0	-47.18	366.34	2.21	-44.97
CSCC[C@H](NC(=O)CC1CCCN(C(=O)NCC(C)C)C1)C1=N[N-]N=N1	REAL300020163640	0	57	-1.0	-59.92	453.48	5.11	-54.81
CSCC[C@H](NC(=O)CC1CCCN(C(=O)NCC(C)C)C1)C1=NN=N[N-]1	REAL300020163640	1	57	-1.0	-59.91	453.54	5.12	-54.79
COCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)C	REAL300020163641	0	46	-1.0	-44.08	385.77	1.74	-42.34
COCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)C	REAL300020163641	1	46	-1.0	-44.09	385.82	1.76	-42.33
CSCC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020163642	0	54	0.0	-63.84	430.08	5.81	-58.03
CSCC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020163642	1	54	0.0	-63.87	430.03	5.80	-58.07
CC[NH+](CC)CCSCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163643	0	48	0.0	-66.30	395.87	5.52	-60.78
CC[NH+](CC)CCSCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163643	1	48	0.0	-66.32	395.93	5.53	-60.79
CSCC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300020163644	0	53	0.0	-63.52	428.35	5.27	-58.25
CSCC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300020163644	1	53	0.0	-63.55	428.29	5.25	-58.30
CSCC[C@H](NC(=O)CCN1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300020163644	1	52	-1.0	-48.24	424.61	2.85	-45.39
CSCC[C@H](NC(=O)CCN1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300020163644	1	52	-1.0	-48.23	424.55	2.83	-45.40
CSCC[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=N[N-]N=N1	REAL300020163645	0	54	0.0	-66.31	433.62	5.22	-61.09
CSCC[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=NN=N[N-]1	REAL300020163645	1	54	0.0	-66.34	433.68	5.24	-61.10
CSCC[C@H](NC(=O)C1(C2=CC=CS2)CCCCC1)C1=N[N-]N=N1	REAL300020163646	0	46	-1.0	-45.26	378.80	6.85	-38.41
CSCC[C@H](NC(=O)C1(C2=CC=CS2)CCCCC1)C1=NN=N[N-]1	REAL300020163646	1	46	-1.0	-45.25	378.86	6.87	-38.38
CSCC[C@H](NC(=O)C1=CC=CC=C1SCC=C(C)C)C1=N[N-]N=N1	REAL300020163647	0	47	-1.0	-49.98	405.52	7.90	-42.08
CSCC[C@H](NC(=O)C1=CC=CC=C1SCC=C(C)C)C1=NN=N[N-]1	REAL300020163647	1	47	-1.0	-50.02	405.58	7.91	-42.11
CSCC[C@H](NC(=O)CC1=CNC2=C(C)C=CC=C12)C1=N[N-]N=N1	REAL300020163648	0	43	-1.0	-53.36	375.30	5.47	-47.89
CSCC[C@H](NC(=O)CC1=CNC2=C(C)C=CC=C12)C1=NN=N[N-]1	REAL300020163648	1	43	-1.0	-53.37	375.36	5.48	-47.89
CSCC[C@H](NC(=O)C1=CC(N2CCNC2=O)=CC=C1F)C1=N[N-]N=N1	REAL300020163649	0	43	-1.0	-53.15	374.53	2.90	-50.25
CSCC[C@H](NC(=O)C1=CC(N2CCNC2=O)=CC=C1F)C1=NN=N[N-]1	REAL300020163649	1	43	-1.0	-53.12	374.59	2.91	-50.21
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CSCC[C@H](NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=N[N-]N=N1	REAL300020163651	0	35	-2.0	-89.94	337.97	1.41	-88.53
CSCC[C@H](NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=NN=N[N-]1	REAL300020163651	1	35	-2.0	-89.93	338.03	1.42	-88.51
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1	REAL300020163652	0	35	-1.0	-44.20	322.08	-0.51	-44.71
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1	REAL300020163652	1	35	-1.0	-44.19	322.02	-0.53	-44.72
CSCC[C@H](NC(=O)C1=CC=CN=C1NC(C)C)C1=N[N-]N=N1	REAL300020163653	0	43	-1.0	-46.29	366.35	4.29	-42.00
CSCC[C@H](NC(=O)C1=CC=CN=C1NC(C)C)C1=NN=N[N-]1	REAL300020163653	1	43	-1.0	-46.28	366.41	4.30	-41.98
CSCC[C@H](NC(=O)C1=CC(Br)=C(C=O)N1C)C1=N[N-]N=N1	REAL300020163654	0	36	-1.0	-43.76	343.57	3.70	-40.06
CSCC[C@H](NC(=O)C1=CC(Br)=C(C=O)N1C)C1=NN=N[N-]1	REAL300020163654	1	36	-1.0	-43.78	343.63	3.72	-40.06
CSCC[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=NN=N[N-]1	REAL300020163655	0	53	0.0	-63.01	395.18	4.41	-58.60
CSCC[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=N[N-]N=N1	REAL300020163655	1	53	0.0	-62.97	395.12	4.39	-58.58
CSCC[C@H](NC(=O)CC(NC(C)=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020163656	0	46	-1.0	-44.03	403.27	3.94	-40.09
CSCC[C@H](NC(=O)CC(NC(C)=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020163656	1	46	-1.0	-44.01	403.33	3.96	-40.05
CSCC[C@H](NC(=O)C1CN(CC2=CC=CC=C2)CCO1)C1=N[N-]N=N1	REAL300020163657	0	49	-1.0	-48.03	409.52	4.26	-43.77
CSCC[C@H](NC(=O)C1CN(CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300020163657	1	49	-1.0	-47.97	409.57	4.27	-43.70
CSCC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300020163657	1	50	0.0	-70.14	404.75	6.38	-63.76
CSCC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300020163657	1	50	0.0	-53.73	404.83	6.37	-47.36
CSCC[C@H](NC(=O)C1=CN(CCC(C)C)N=N1)C1=NN=N[N-]1	REAL300020163658	0	44	-1.0	-46.31	380.80	3.32	-42.99
CSCC[C@H](NC(=O)C1=CN(CCC(C)C)N=N1)C1=N[N-]N=N1	REAL300020163658	1	44	-1.0	-46.36	380.74	3.30	-43.06
CSCC[C@H](NC(=O)CCN1C(=O)CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163659	0	47	-1.0	-53.11	398.34	5.91	-47.20
CSCC[C@H](NC(=O)CCN1C(=O)CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163659	1	47	-1.0	-53.17	398.40	5.92	-47.25
CCC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163660	0	42	-1.0	-46.89	365.04	6.20	-40.69
CCC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163660	1	42	-1.0	-46.89	365.10	6.22	-40.67
CSCC[C@H](NC(=O)C1=CC=CC(NC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020163661	0	45	-1.0	-50.12	388.88	6.43	-43.69
CSCC[C@H](NC(=O)C1=CC=CC(NC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020163661	1	45	-1.0	-50.13	388.94	6.45	-43.68
CSCC[C@H](NC(=O)CN(CC1=CC=CN=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163662	0	50	-1.0	-47.31	424.62	6.95	-40.36
CSCC[C@H](NC(=O)CN(CC1=CC=CN=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163662	1	50	-1.0	-47.28	424.68	6.97	-40.31
CSCC[C@H](NC(=O)C1CCCN(C(=O)NCC(C)C)C1)C1=N[N-]N=N1	REAL300020163663	0	54	-1.0	-49.38	434.98	4.38	-45.00
CSCC[C@H](NC(=O)C1CCCN(C(=O)NCC(C)C)C1)C1=NN=N[N-]1	REAL300020163663	1	54	-1.0	-49.38	435.04	4.40	-44.98
CCN1[N-]C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC1=O	REAL300020163664	0	36	-2.0	-95.30	332.53	1.13	-94.17
CCN1[N-]C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC1=O	REAL300020163664	1	36	-2.0	-95.29	332.59	1.15	-94.14
CSCC[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=N[N-]N=N1	REAL300020163665	0	54	0.0	-69.76	434.49	5.41	-64.35
CSCC[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=NN=N[N-]1	REAL300020163665	1	54	0.0	-69.79	434.55	5.43	-64.36
CSCC[C@H](NC(=O)C(O)C1CCOCC1)C1=N[N-]N=N1	REAL300020163666	0	41	-1.0	-46.48	342.33	0.64	-45.84
CSCC[C@H](NC(=O)C(O)C1CCOCC1)C1=NN=N[N-]1	REAL300020163666	1	41	-1.0	-46.46	342.39	0.65	-45.81
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CSCC[C@H](NC(=O)C1=CC(N2CCOC2=O)=CC=C1F)C1=N[N-]N=N1	REAL300020163668	0	42	-1.0	-61.68	370.75	4.24	-57.44
CSCC[C@H](NC(=O)C1=CC(N2CCOC2=O)=CC=C1F)C1=NN=N[N-]1	REAL300020163668	1	42	-1.0	-61.69	370.80	4.25	-57.44
CSCC[C@H](NC(=O)CCC1=CNC2=C(C)C=CC=C12)C1=N[N-]N=N1	REAL300020163669	0	46	-1.0	-47.04	396.70	6.27	-40.77
CSCC[C@H](NC(=O)CCC1=CNC2=C(C)C=CC=C12)C1=NN=N[N-]1	REAL300020163669	1	46	-1.0	-47.04	396.76	6.29	-40.75
CSCC[C@H](NC(=O)C1=CN=C(N2CCN(C)CC2)S1)C1=N[N-]N=N1	REAL300020163670	0	46	-1.0	-45.92	397.90	1.20	-44.72
CSCC[C@H](NC(=O)C1=CN=C(N2CCN(C)CC2)S1)C1=NN=N[N-]1	REAL300020163670	1	46	-1.0	-45.95	397.95	1.21	-44.74
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1CCCCC1)C1=N[N-]N=N1	REAL300020163671	0	50	-1.0	-52.93	406.27	8.07	-44.86
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1CCCCC1)C1=NN=N[N-]1	REAL300020163671	1	50	-1.0	-52.94	406.33	8.08	-44.86
CSCC[C@H](NC(=O)C1=CC=C(CNC(=O)C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020163672	0	52	-1.0	-48.31	438.45	5.14	-43.17
CSCC[C@H](NC(=O)C1=CC=C(CNC(=O)C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020163672	1	52	-1.0	-48.32	438.51	5.15	-43.17
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CSCC[C@H](NC(=O)C1=C(CCC(F)(F)F)OC=N1)C1=N[N-]N=N1	REAL300020163676	1	38	-1.0	-46.48	355.66	1.46	-45.02
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CCC(CC)(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020163677	1	48	-1.0	-49.41	379.96	6.52	-42.89
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020163678	0	38	-1.0	-46.31	363.25	6.43	-39.88
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020163678	1	38	-1.0	-46.32	363.30	6.45	-39.87
CSCC[C@H](NC(=O)C1=CC(C)=CC(F)=C1)C1=N[N-]N=N1	REAL300020163679	0	36	-1.0	-44.32	325.35	4.81	-39.51
CSCC[C@H](NC(=O)C1=CC(C)=CC(F)=C1)C1=NN=N[N-]1	REAL300020163679	1	36	-1.0	-44.31	325.41	4.83	-39.48
CSCC[C@H](NC(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1=N[N-]N=N1	REAL300020163680	0	44	-1.0	-49.57	387.22	4.26	-45.31
CSCC[C@H](NC(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1=NN=N[N-]1	REAL300020163680	1	44	-1.0	-49.58	387.28	4.27	-45.31
CSCC[C@H](NC(=O)C1=CC=C(F)C(Br)=C1)C1=N[N-]N=N1	REAL300020163681	0	33	-1.0	-44.27	324.51	4.74	-39.53
CSCC[C@H](NC(=O)C1=CC=C(F)C(Br)=C1)C1=NN=N[N-]1	REAL300020163681	1	33	-1.0	-44.29	324.57	4.76	-39.53
CSCC[C@H](NC(=O)COC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020163682	0	37	-1.0	-46.30	364.54	5.68	-40.62
CSCC[C@H](NC(=O)COC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020163682	1	37	-1.0	-46.31	364.60	5.69	-40.62
CSCC[C@H](NC(=O)C1=CC=CC(C2=CSC(C)=N2)=C1)C1=NN=N[N-]1	REAL300020163683	0	42	-1.0	-54.79	382.04	5.53	-49.26
CSCC[C@H](NC(=O)C1=CC=CC(C2=CSC(C)=N2)=C1)C1=N[N-]N=N1	REAL300020163683	1	42	-1.0	-54.79	381.99	5.51	-49.28
CSCC[C@H](NC(=O)CCN1C(=O)C2C3CCC(O3)C2C1=O)C1=N[N-]N=N1	REAL300020163684	0	48	-1.0	-50.28	397.57	2.27	-48.01
CSCC[C@H](NC(=O)CCN1C(=O)C2C3CCC(O3)C2C1=O)C1=NN=N[N-]1	REAL300020163684	1	48	-1.0	-50.32	397.63	2.28	-48.04
CSCC[C@H](NC(=O)CCC1CCC(C)O1)C1=N[N-]N=N1	REAL300020163685	0	43	-1.0	-47.45	361.32	3.65	-43.80
CSCC[C@H](NC(=O)CCC1CCC(C)O1)C1=NN=N[N-]1	REAL300020163685	1	43	-1.0	-47.44	361.37	3.66	-43.78
CSCC[C@H](NC(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1=N[N-]N=N1	REAL300020163686	0	55	-1.0	-49.88	438.68	5.04	-44.84
CSCC[C@H](NC(=O)C1CCCN(C(=O)NC2CCCC2)C1)C1=NN=N[N-]1	REAL300020163686	1	55	-1.0	-49.92	438.74	5.05	-44.87
CSCC[C@H](NC(=O)C1=CN(CC2=CC=CC=N2)N=N1)C1=N[N-]N=N1	REAL300020163687	0	41	-1.0	-52.00	374.74	2.45	-49.55
CSCC[C@H](NC(=O)C1=CN(CC2=CC=CC=N2)N=N1)C1=NN=N[N-]1	REAL300020163687	1	41	-1.0	-52.02	374.80	2.46	-49.56
CSCC[C@H](NC(=O)C1=CC2=CC(C)=C(C)C=C2O1)C1=N[N-]N=N1	REAL300020163688	0	42	-1.0	-45.73	367.02	5.69	-40.04
CSCC[C@H](NC(=O)C1=CC2=CC(C)=C(C)C=C2O1)C1=NN=N[N-]1	REAL300020163688	1	42	-1.0	-45.74	367.08	5.70	-40.04
CSCC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020163689	0	50	-1.0	-69.70	417.63	6.94	-62.76
CSCC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020163689	1	50	-1.0	-69.68	417.69	6.95	-62.73
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(NC(C)=O)=C1OC	REAL300020163690	0	48	-1.0	-54.91	415.51	2.43	-52.48
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(NC(C)=O)=C1OC	REAL300020163690	1	48	-1.0	-54.91	415.57	2.45	-52.46
CSCC[C@H](NC(=O)C(C)CCC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020163691	0	45	-1.0	-48.31	386.79	6.90	-41.41
CSCC[C@H](NC(=O)C(C)CCC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020163691	1	45	-1.0	-48.29	386.85	6.92	-41.37
COCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NO1	REAL300020163692	0	36	-1.0	-46.40	331.84	1.23	-45.17
COCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NO1	REAL300020163692	1	36	-1.0	-46.41	331.89	1.25	-45.16
CSCC[C@H](NC(=O)C(C)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020163693	0	42	-1.0	-47.65	370.91	6.11	-41.54
CSCC[C@H](NC(=O)C(C)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020163693	1	42	-1.0	-47.65	370.97	6.13	-41.52
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)ON=C1C)C1=N[N-]N=N1	REAL300020163694	0	35	-1.0	-39.23	338.59	3.20	-36.03
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)ON=C1C)C1=NN=N[N-]1	REAL300020163694	1	35	-1.0	-39.21	338.65	3.22	-35.99
CSCC[C@H](NC(=O)C1=CNC=C1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020163695	0	41	-1.0	-52.74	367.71	5.67	-47.07
CSCC[C@H](NC(=O)C1=CNC=C1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020163695	1	41	-1.0	-52.72	367.76	5.68	-47.04
CCCCCCC(C)(CC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163696	0	53	-1.0	-47.22	416.74	7.09	-40.13
CCCCCCC(C)(CC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163696	1	53	-1.0	-47.26	416.80	7.10	-40.16
CSCC[C@H](NC(=O)C(C)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020163697	0	39	-1.0	-45.11	349.53	5.40	-39.71
CSCC[C@H](NC(=O)C(C)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020163697	1	39	-1.0	-45.08	349.59	5.42	-39.66
CSCC[C@H](NC(=O)C1CCN(C2=CC=CC(Cl)=C2)C1=O)C1=N[N-]N=N1	REAL300020163698	0	44	-1.0	-58.44	392.20	5.68	-52.76
CSCC[C@H](NC(=O)C1CCN(C2=CC=CC(Cl)=C2)C1=O)C1=NN=N[N-]1	REAL300020163698	1	44	-1.0	-58.51	392.25	5.70	-52.81
CSCC[C@H](NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1C)C1=N[N-]N=N1	REAL300020163699	0	43	-1.0	-46.92	393.34	6.36	-40.56
CSCC[C@H](NC(=O)C1=CN(C2=CC=C(Cl)C=C2)N=C1C)C1=NN=N[N-]1	REAL300020163699	1	43	-1.0	-46.91	393.39	6.38	-40.53
CSCC[C@H](NC(=O)C(C)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020163700	0	39	-1.0	-51.78	350.77	5.43	-46.35
CSCC[C@H](NC(=O)C(C)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020163700	1	39	-1.0	-51.78	350.83	5.45	-46.33
CCCC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020163701	0	38	-1.0	-45.02	348.87	3.49	-41.53
CCCC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020163701	1	38	-1.0	-45.02	348.92	3.50	-41.52
CSCC[C@H](NC(=O)C1CN(C(=O)C(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300020163702	0	50	-1.0	-50.72	402.46	3.40	-47.32
CSCC[C@H](NC(=O)C1CN(C(=O)C(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300020163702	1	50	-1.0	-50.72	402.51	3.42	-47.30
CSCC[C@H](NC(=O)C(C)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020163703	0	39	-1.0	-45.11	354.83	5.82	-39.29
CSCC[C@H](NC(=O)C(C)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020163703	1	39	-1.0	-45.08	354.89	5.84	-39.24
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C1=N[N-]N=N1	REAL300020163704	0	52	-1.0	-45.68	437.33	8.17	-37.51
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C1=NN=N[N-]1	REAL300020163704	1	52	-1.0	-45.71	437.39	8.18	-37.53
CCC1=CC=C(C2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)O2)C=C1	REAL300020163705	0	46	-1.0	-45.91	404.11	7.29	-38.62
CCC1=CC=C(C2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)O2)C=C1	REAL300020163705	1	46	-1.0	-45.96	404.16	7.30	-38.66
CSCC[C@H](NC(=O)C1(C)CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020163706	0	46	-1.0	-45.18	375.20	6.75	-38.43
CSCC[C@H](NC(=O)C1(C)CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020163706	1	46	-1.0	-45.14	375.26	6.77	-38.37
CSCC[C@H](NC(=O)C1=CC=C(OC2CCC2)C=C1)C1=N[N-]N=N1	REAL300020163707	0	44	-1.0	-46.04	375.41	5.69	-40.35
CSCC[C@H](NC(=O)C1=CC=C(OC2CCC2)C=C1)C1=NN=N[N-]1	REAL300020163707	1	44	-1.0	-46.05	375.46	5.71	-40.34
CSCC[C@H](NC(=O)C1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL300020163708	0	32	-1.0	-45.46	305.48	2.84	-42.62
CSCC[C@H](NC(=O)C1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL300020163708	1	32	-1.0	-45.44	305.42	2.83	-42.61
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1C)C1=N[N-]N=N1	REAL300020163709	0	36	-1.0	-43.60	334.90	5.38	-38.22
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1C)C1=NN=N[N-]1	REAL300020163709	1	36	-1.0	-43.62	334.96	5.40	-38.22
CSCC[C@H](NC(=O)C(C)(C)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020163710	0	48	-1.0	-50.20	399.09	7.93	-42.27
CSCC[C@H](NC(=O)C(C)(C)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020163710	1	48	-1.0	-50.22	399.15	7.94	-42.28
CSCC[C@H](NC(=O)C=CC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020163711	0	44	-1.0	-52.64	386.90	7.07	-45.57
CSCC[C@H](NC(=O)C=CC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020163711	1	44	-1.0	-52.64	386.95	7.08	-45.56
CSCC[C@H](NC(=O)C1=CN=C2C=CSC2=C1)C1=NN=N[N-]1	REAL300020163712	0	35	-1.0	-46.16	329.26	3.54	-42.62
CSCC[C@H](NC(=O)C1=CN=C2C=CSC2=C1)C1=N[N-]N=N1	REAL300020163712	1	35	-1.0	-46.11	329.20	3.53	-42.58
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=NC(C)=NO1)C1=NN=N[N-]1	REAL300020163713	0	41	-1.0	-51.45	367.78	4.21	-47.24
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=NC(C)=NO1)C1=N[N-]N=N1	REAL300020163713	1	41	-1.0	-51.46	367.73	4.20	-47.26
CSCC[C@H](NC(=O)CCC1CCOCC1)C1=N[N-]N=N1	REAL300020163714	0	43	-1.0	-47.19	355.48	3.34	-43.85
CSCC[C@H](NC(=O)CCC1CCOCC1)C1=NN=N[N-]1	REAL300020163714	1	43	-1.0	-47.21	355.54	3.36	-43.85
CSCC[C@H](NC(=O)C(C)C1=CC=C(C)O1)C1=N[N-]N=N1	REAL300020163715	0	39	-1.0	-48.77	343.93	4.71	-44.06
CSCC[C@H](NC(=O)C(C)C1=CC=C(C)O1)C1=NN=N[N-]1	REAL300020163715	1	39	-1.0	-48.77	343.99	4.73	-44.04
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)CC(N)=O)C=C1)C1=N[N-]N=N1	REAL300020163716	0	43	-1.0	-57.57	395.65	-1.41	-58.98
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)CC(N)=O)C=C1)C1=NN=N[N-]1	REAL300020163716	1	43	-1.0	-57.55	395.71	-1.39	-58.94
CSCC[C@H](NC(=O)C1CCC(=O)N1CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020163717	0	50	-1.0	-52.07	420.46	6.73	-45.34
CSCC[C@H](NC(=O)C1CCC(=O)N1CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020163717	1	50	-1.0	-52.04	420.52	6.75	-45.29
CSCC[C@H](NC(=O)C1CN(C)CCO1)C1=N[N-]N=N1	REAL300020163718	0	39	-1.0	-47.73	332.27	0.53	-47.20
CSCC[C@H](NC(=O)C1CN(C)CCO1)C1=NN=N[N-]1	REAL300020163718	1	39	-1.0	-47.70	332.33	0.55	-47.15
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=N2)=NO1)C1=N[N-]N=N1	REAL300020163719	0	38	-1.0	-45.43	352.68	3.36	-42.07
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=N2)=NO1)C1=NN=N[N-]1	REAL300020163719	1	38	-1.0	-45.44	352.74	3.37	-42.07
CSCC[C@H](NC(=O)C1=CN(CC(=O)C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300020163720	0	46	-1.0	-55.37	400.14	3.12	-52.25
CSCC[C@H](NC(=O)C1=CN(CC(=O)C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300020163720	1	46	-1.0	-55.39	400.08	3.11	-52.28
CSCC[C@H](NC(=O)C1CCSC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163721	0	41	-1.0	-48.77	359.75	5.91	-42.86
CSCC[C@H](NC(=O)C1CCSC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163721	1	41	-1.0	-48.76	359.81	5.93	-42.83
CSCC[C@H](NC(=O)CC1=NN(C2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL300020163722	0	43	-1.0	-52.49	386.60	6.00	-46.49
CSCC[C@H](NC(=O)CC1=NN(C2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL300020163722	1	43	-1.0	-52.50	386.66	6.01	-46.49
CSCC[C@H](NC(=O)C(C1=CC=CC(F)=C1)N1CCOCC1)C1=N[N-]N=N1	REAL300020163723	0	49	-1.0	-44.59	412.66	3.46	-41.13
CSCC[C@H](NC(=O)C(C1=CC=CC(F)=C1)N1CCOCC1)C1=NN=N[N-]1	REAL300020163723	1	49	-1.0	-44.58	412.72	3.47	-41.11
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1Cl)C1=N[N-]N=N1	REAL300020163724	0	33	-1.0	-48.96	315.92	4.64	-44.32
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1Cl)C1=NN=N[N-]1	REAL300020163724	1	33	-1.0	-48.95	315.98	4.66	-44.29
CCOC1=C(F)C=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163725	0	40	-1.0	-49.30	354.80	5.67	-43.63
CCOC1=C(F)C=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163725	1	40	-1.0	-49.31	354.86	5.68	-43.63
CSCC[C@H](NC(=O)C1=CC=CC=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163726	0	44	-1.0	-50.74	393.65	8.18	-42.56
CSCC[C@H](NC(=O)C1=CC=CC=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163726	1	44	-1.0	-50.69	393.71	8.20	-42.49
CSCC[C@H](NC(=O)CN(C)C1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020163727	0	43	-1.0	-60.70	377.87	5.56	-55.14
CSCC[C@H](NC(=O)CN(C)C1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020163727	1	43	-1.0	-60.71	377.93	5.58	-55.13
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)N1C)C1=N[N-]N=N1	REAL300020163728	0	44	-1.0	-47.42	375.48	6.71	-40.71
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)N1C)C1=NN=N[N-]1	REAL300020163728	1	44	-1.0	-47.39	375.54	6.73	-40.66
CSCC[C@H](NC(=O)C1=CC=C(N2C=NC=N2)C(C)=C1)C1=NN=N[N-]1	REAL300020163729	0	42	-1.0	-49.99	366.34	7.57	-42.42
CSCC[C@H](NC(=O)C1=CC=C(N2C=NC=N2)C(C)=C1)C1=N[N-]N=N1	REAL300020163729	1	42	-1.0	-49.97	366.29	7.56	-42.41
CSCC[C@H](NC(=O)C1=CC=C(N2C=NC=N2)C=C1C)C1=NN=N[N-]1	REAL300020163730	0	42	-1.0	-49.94	366.79	7.29	-42.65
CSCC[C@H](NC(=O)C1=CC=C(N2C=NC=N2)C=C1C)C1=N[N-]N=N1	REAL300020163730	1	42	-1.0	-49.91	366.73	7.27	-42.64
CSCC[C@H](NC(=O)CSC1=NNC(C)=N1)C1=N[N-]N=N1	REAL300020163731	0	36	-1.0	-50.37	340.83	2.27	-48.10
CSCC[C@H](NC(=O)CSC1=NNC(C)=N1)C1=NN=N[N-]1	REAL300020163731	1	36	-1.0	-50.43	340.89	2.29	-48.14
CSCC[C@H](NC(=O)C1=NC=CN=C1NC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020163732	0	47	-1.0	-47.28	400.63	3.28	-44.00
CSCC[C@H](NC(=O)C1=NC=CN=C1NC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020163732	1	47	-1.0	-47.32	400.57	3.27	-44.05
CSCC[C@H](NC(=O)CCCC1CCCC1)C1=N[N-]N=N1	REAL300020163733	0	45	-1.0	-45.49	369.34	5.93	-39.56
CSCC[C@H](NC(=O)CCCC1CCCC1)C1=NN=N[N-]1	REAL300020163733	1	45	-1.0	-45.46	369.40	5.94	-39.52
CSCC[C@H](NC(=O)C(C)N1N=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020163734	0	44	-1.0	-52.97	392.40	4.43	-48.54
CSCC[C@H](NC(=O)C(C)N1N=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020163734	1	44	-1.0	-53.05	392.46	4.45	-48.60
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300020163735	0	45	-1.0	-46.64	389.77	6.58	-40.06
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300020163735	1	45	-1.0	-46.69	389.82	6.59	-40.10
CSCC[C@H](NC(=O)C1CC12CCC1=CC=CC=C12)C1=N[N-]N=N1	REAL300020163736	0	44	-1.0	-48.04	370.37	7.17	-40.87
CSCC[C@H](NC(=O)C1CC12CCC1=CC=CC=C12)C1=NN=N[N-]1	REAL300020163736	1	44	-1.0	-48.07	370.42	7.18	-40.89
COCCCOC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020163737	0	47	-1.0	-51.41	404.04	4.18	-47.23
COCCCOC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163737	1	47	-1.0	-51.43	404.09	4.20	-47.23
CSCC[C@H](NC(=O)C1=NN(C)C(C2CC2)=C1)C1=N[N-]N=N1	REAL300020163738	0	40	-1.0	-50.26	353.43	3.86	-46.40
CSCC[C@H](NC(=O)C1=NN(C)C(C2CC2)=C1)C1=NN=N[N-]1	REAL300020163738	1	40	-1.0	-50.25	353.49	3.87	-46.38
CSCC[C@H](NC(=O)C(C)CC1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL300020163739	0	48	-1.0	-48.41	396.53	4.63	-43.78
CSCC[C@H](NC(=O)C(C)CC1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL300020163739	1	48	-1.0	-48.46	396.58	4.65	-43.81
CSCC[C@H](NC(=O)C1=CC2=CC=CC(F)=C2O1)C1=N[N-]N=N1	REAL300020163740	0	36	-1.0	-46.81	335.18	4.54	-42.27
CSCC[C@H](NC(=O)C1=CC2=CC=CC(F)=C2O1)C1=NN=N[N-]1	REAL300020163740	1	36	-1.0	-46.82	335.24	4.56	-42.26
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)CC(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300020163741	0	52	-1.0	-51.98	430.78	6.06	-45.92
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)CC(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300020163741	1	52	-1.0	-51.94	430.84	6.07	-45.87
CSCC[C@H](NC(=O)CNC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL300020163742	0	44	-1.0	-44.58	374.70	4.57	-40.01
CSCC[C@H](NC(=O)CNC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL300020163742	1	44	-1.0	-44.60	374.75	4.59	-40.01
CSCC[C@H](NC(=O)C1CCN(C(=O)C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020163743	0	50	-1.0	-54.67	414.76	5.92	-48.75
CSCC[C@H](NC(=O)C1CCN(C(=O)C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020163743	1	50	-1.0	-54.66	414.82	5.94	-48.72
CSCC[C@H](NC(=O)C1=CC=C(OC2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300020163744	0	48	-1.0	-47.37	399.32	4.48	-42.89
CSCC[C@H](NC(=O)C1=CC=C(OC2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300020163744	1	48	-1.0	-47.34	399.37	4.50	-42.84
CCCCCCC(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163745	0	47	-1.0	-45.34	385.81	6.19	-39.15
CCCCCCC(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163745	1	47	-1.0	-45.37	385.87	6.20	-39.17
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1N1CCNC1=O	REAL300020163746	0	47	-1.0	-59.83	406.53	2.49	-57.34
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1N1CCNC1=O	REAL300020163746	1	47	-1.0	-59.84	406.59	2.51	-57.33
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)CC(C)C)C(F)=C1)C1=N[N-]N=N1	REAL300020163747	0	49	-1.0	-48.70	417.92	5.28	-43.42
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)CC(C)C)C(F)=C1)C1=NN=N[N-]1	REAL300020163747	1	49	-1.0	-48.72	417.98	5.30	-43.42
CSCC[C@H](NC(=O)C1=CNC(=O)C(Br)=C1)C1=N[N-]N=N1	REAL300020163748	0	33	-1.0	-44.95	322.66	1.64	-43.31
CSCC[C@H](NC(=O)C1=CNC(=O)C(Br)=C1)C1=NN=N[N-]1	REAL300020163748	1	33	-1.0	-44.97	322.72	1.65	-43.32
CSCC[C@H](NC(=O)C=CC1=CC(Br)=CS1)C1=N[N-]N=N1	REAL300020163749	0	34	-1.0	-44.85	343.77	5.01	-39.84
CSCC[C@H](NC(=O)C=CC1=CC(Br)=CS1)C1=NN=N[N-]1	REAL300020163749	1	34	-1.0	-44.85	343.83	5.02	-39.83
CCC(CC)C(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)N1CCOCC1	REAL300020163750	0	54	-1.0	-46.05	396.00	2.80	-43.25
CCC(CC)C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)N1CCOCC1	REAL300020163750	1	54	-1.0	-46.03	396.05	2.81	-43.22
CSCC[C@H](NC(=O)C1=CC=CC(C2=CSC=N2)=C1)C1=NN=N[N-]1	REAL300020163751	0	39	-1.0	-54.71	360.15	4.83	-49.88
CSCC[C@H](NC(=O)C1=CC=CC(C2=CSC=N2)=C1)C1=N[N-]N=N1	REAL300020163751	1	39	-1.0	-54.69	360.10	4.81	-49.88
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CCCC2)S1)C1=N[N-]N=N1	REAL300020163752	0	45	-1.0	-44.48	388.85	5.24	-39.24
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CCCC2)S1)C1=NN=N[N-]1	REAL300020163752	1	45	-1.0	-44.43	388.91	5.25	-39.18
CSCC[C@H](NC(=O)C1CC12CCCC1=CC=CC=C12)C1=N[N-]N=N1	REAL300020163753	0	47	-1.0	-45.57	385.51	7.63	-37.94
CSCC[C@H](NC(=O)C1CC12CCCC1=CC=CC=C12)C1=NN=N[N-]1	REAL300020163753	1	47	-1.0	-45.60	385.57	7.65	-37.95
CSCC[C@H](NC(=O)C(C)CC(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020163754	0	44	-1.0	-47.65	383.67	6.08	-41.57
CSCC[C@H](NC(=O)C(C)CC(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020163754	1	44	-1.0	-47.64	383.73	6.10	-41.54
CCCCCCC(C)(CCC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163755	0	56	-1.0	-46.14	438.23	7.85	-38.29
CCCCCCC(C)(CCC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163755	1	56	-1.0	-46.19	438.29	7.86	-38.33
COC1=CC(Cl)=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163756	0	37	-1.0	-45.78	356.70	5.61	-40.17
COC1=CC(Cl)=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163756	1	37	-1.0	-45.80	356.76	5.62	-40.18
CSCC[C@H](NC(=O)C(C1=CC=CC(Cl)=C1)C(C)C)C1=N[N-]N=N1	REAL300020163757	0	45	-1.0	-43.80	387.96	7.25	-36.55
CSCC[C@H](NC(=O)C(C1=CC=CC(Cl)=C1)C(C)C)C1=NN=N[N-]1	REAL300020163757	1	45	-1.0	-43.78	388.02	7.27	-36.51
CCCCCC(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163758	0	47	-1.0	-45.15	383.10	6.12	-39.03
CCCCCC(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163758	1	47	-1.0	-45.14	383.15	6.14	-39.00
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CC2)NC1=S)C1=N[N-]N=N1	REAL300020163759	0	42	-1.0	-51.74	383.76	4.88	-46.86
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CC2)NC1=S)C1=NN=N[N-]1	REAL300020163759	1	42	-1.0	-51.76	383.82	4.89	-46.87
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C1=NN=N[N-]1	REAL300020163760	0	41	-2.0	-101.89	370.06	1.74	-100.15
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C1=N[N-]N=N1	REAL300020163760	1	41	-2.0	-101.89	370.01	1.73	-100.16
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CO2)NC1=O)C1=NN=N[N-]1	REAL300020163760	1	42	-1.0	-51.57	372.44	2.85	-48.72
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CO2)NC1=O)C1=N[N-]N=N1	REAL300020163760	1	42	-1.0	-51.61	372.39	2.83	-48.78
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)(C)C)NC1=O)C1=N[N-]N=N1	REAL300020163761	0	47	-1.0	-50.01	390.45	3.72	-46.29
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)(C)C)NC1=O)C1=NN=N[N-]1	REAL300020163761	1	47	-1.0	-49.99	390.51	3.73	-46.26
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)C)NC1=O)C1=N[N-]N=N1	REAL300020163762	0	44	-1.0	-50.83	373.27	3.13	-47.70
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)C)NC1=O)C1=NN=N[N-]1	REAL300020163762	1	44	-1.0	-50.82	373.32	3.14	-47.68
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2O)=NN1)C1=N[N-]N=N1	REAL300020163763	0	41	-1.0	-46.17	367.78	1.56	-44.61
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2O)=NN1)C1=NN=N[N-]1	REAL300020163763	1	41	-1.0	-46.18	367.83	1.57	-44.61
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=N2)C=C1	REAL300020163764	0	44	-2.0	-117.62	395.21	2.61	-115.01
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=N2)C=C1	REAL300020163764	1	44	-2.0	-117.59	395.26	2.62	-114.97
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300020163765	0	40	-2.0	-113.62	372.13	3.37	-110.25
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300020163765	1	40	-2.0	-113.64	372.19	3.39	-110.25
CSCC[C@H](NC(=O)C1=CC(=O)N(C2=NC(C)=CC(C)=N2)[N-]1)C1=N[N-]N=N1	REAL300020163766	0	44	-2.0	-107.53	401.27	4.83	-102.70
CSCC[C@H](NC(=O)C1=CC(=O)N(C2=NC(C)=CC(C)=N2)[N-]1)C1=NN=N[N-]1	REAL300020163766	1	44	-2.0	-107.51	401.33	4.85	-102.66
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300020163767	0	40	-2.0	-123.06	370.23	3.46	-119.60
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300020163767	1	40	-2.0	-123.06	370.29	3.48	-119.58
CSCC[C@H](NC(=O)C1=CNC2=C(C)C=C(F)C=C2C1=O)C1=N[N-]N=N1	REAL300020163768	0	42	-1.0	-56.83	370.85	5.05	-51.78
CSCC[C@H](NC(=O)C1=CNC2=C(C)C=C(F)C=C2C1=O)C1=NN=N[N-]1	REAL300020163768	1	42	-1.0	-56.82	370.91	5.06	-51.76
COC1=CC=C(C(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020163769	0	47	-1.0	-49.78	396.80	4.51	-45.27
COC1=CC=C(C(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020163769	1	47	-1.0	-49.77	396.86	4.52	-45.25
CSCC[C@H](NC(=O)CC1=CC=C(NC(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL300020163770	0	47	-1.0	-54.44	409.35	5.24	-49.20
CSCC[C@H](NC(=O)CC1=CC=C(NC(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL300020163770	1	47	-1.0	-54.40	409.40	5.25	-49.15
CSCC[C@H](NC(=O)C1CC2=CC(C)=C(C)C=C2O1)C1=N[N-]N=N1	REAL300020163771	0	44	-1.0	-50.12	375.84	6.19	-43.93
CSCC[C@H](NC(=O)C1CC2=CC(C)=C(C)C=C2O1)C1=NN=N[N-]1	REAL300020163771	1	44	-1.0	-50.12	375.90	6.21	-43.91
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1OC1CCCC1)C1=N[N-]N=N1	REAL300020163772	0	47	-1.0	-49.85	406.64	8.02	-41.83
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1OC1CCCC1)C1=NN=N[N-]1	REAL300020163772	1	47	-1.0	-49.83	406.70	8.03	-41.80
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1OC(F)F)C1=N[N-]N=N1	REAL300020163773	0	37	-1.0	-47.28	341.00	4.97	-42.31
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1OC(F)F)C1=NN=N[N-]1	REAL300020163773	1	37	-1.0	-47.27	341.06	4.98	-42.29
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1F)C1=N[N-]N=N1	REAL300020163774	0	36	-1.0	-50.92	323.49	4.83	-46.09
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1F)C1=NN=N[N-]1	REAL300020163774	1	36	-1.0	-50.90	323.54	4.85	-46.05
CSCC[C@H](NC(=O)C1=CC(C(N)=O)=CN1)C1=N[N-]N=N1	REAL300020163775	0	35	-1.0	-58.32	321.64	-1.36	-59.68
CSCC[C@H](NC(=O)C1=CC(C(N)=O)=CN1)C1=NN=N[N-]1	REAL300020163775	1	35	-1.0	-58.33	321.70	-1.34	-59.67
CSCC[C@H](NC(=O)C1=CC=CC([N+](=O)[O-])=C1N)C1=N[N-]N=N1	REAL300020163776	0	37	-1.0	-46.37	332.10	3.15	-43.22
CSCC[C@H](NC(=O)C1=CC=CC([N+](=O)[O-])=C1N)C1=NN=N[N-]1	REAL300020163776	1	37	-1.0	-46.33	332.16	3.16	-43.17
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020163777	0	53	-1.0	-49.15	446.96	9.35	-39.80
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020163777	1	53	-1.0	-49.18	447.02	9.37	-39.81
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020163778	0	42	-1.0	-66.28	369.16	3.46	-62.82
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020163778	1	42	-1.0	-66.29	369.21	3.48	-62.81
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CSCC[C@H](NC(=O)C1=CC(Br)=CN1C(C)C)C1=N[N-]N=N1	REAL300020163792	0	40	-1.0	-44.66	364.95	5.59	-39.07
CSCC[C@H](NC(=O)C1=CC(Br)=CN1C(C)C)C1=NN=N[N-]1	REAL300020163792	1	40	-1.0	-44.68	365.01	5.60	-39.08
CSCC[C@H](NC(=O)C1=CC=CC=C1CN1C=NC=N1)C1=NN=N[N-]1	REAL300020163793	0	42	-1.0	-55.72	366.50	7.43	-48.29
CSCC[C@H](NC(=O)C1=CC=CC=C1CN1C=NC=N1)C1=N[N-]N=N1	REAL300020163793	1	42	-1.0	-55.72	366.45	7.42	-48.30
CSCC[C@H](NC(=O)C(C)(C)OC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163794	0	43	-1.0	-48.85	357.64	5.53	-43.32
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CSCC[C@H](NC(=O)C1=CN(CC(N)=O)N=N1)C1=NN=N[N-]1	REAL300020163796	0	36	-1.0	-58.53	335.74	-2.54	-61.07
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CSCC[C@H](NC(=O)C1=CN(CC2=CC=CS2)N=N1)C1=NN=N[N-]1	REAL300020163800	0	39	-1.0	-47.40	370.37	3.38	-44.02
CSCC[C@H](NC(=O)C1=CN(CC2=CC=CS2)N=N1)C1=N[N-]N=N1	REAL300020163800	1	39	-1.0	-47.35	370.31	3.36	-43.99
CSCC[C@H](NC(=O)C1CCC2=CNN=C2C1)C1=N[N-]N=N1	REAL300020163801	0	40	-1.0	-49.90	341.51	2.83	-47.07
CSCC[C@H](NC(=O)C1CCC2=CNN=C2C1)C1=NN=N[N-]1	REAL300020163801	1	40	-1.0	-49.93	341.57	2.85	-47.08
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CSCC[C@H](NC(=O)C(C1=CC=CC=C1F)N1CCOCC1)C1=NN=N[N-]1	REAL300020163802	1	49	-1.0	-47.39	404.00	3.68	-43.71
CSCC[C@H](NC(=O)C1=CC(NC(=O)C(C)(C)C)=CC=C1F)C1=N[N-]N=N1	REAL300020163803	0	49	-1.0	-50.51	416.94	5.10	-45.41
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CSCC[C@H](NC(=O)C1CCC(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020163804	0	49	-1.0	-53.39	394.04	7.64	-45.75
CSCC[C@H](NC(=O)C1CCC(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020163804	1	49	-1.0	-53.41	394.09	7.66	-45.75
CSCC[C@H](NC(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300020163805	0	48	-1.0	-51.39	420.71	3.92	-47.47
CSCC[C@H](NC(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300020163805	1	48	-1.0	-51.36	420.77	3.94	-47.42
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CSCC[C@H](NC(=O)C1CC1C1CCCCC1)C1=N[N-]N=N1	REAL300020163807	0	46	-1.0	-45.62	376.13	6.42	-39.20
CSCC[C@H](NC(=O)C1CC1C1CCCCC1)C1=NN=N[N-]1	REAL300020163807	1	46	-1.0	-45.69	376.19	6.43	-39.26
CSCC[C@H](NC(=O)CCNC(=O)CC(C)C)C1=N[N-]N=N1	REAL300020163808	0	45	-1.0	-53.94	381.47	2.25	-51.69
CSCC[C@H](NC(=O)CCNC(=O)CC(C)C)C1=NN=N[N-]1	REAL300020163808	1	45	-1.0	-53.95	381.53	2.27	-51.68
CSCC[C@H](NC(=O)C(C)CSC(F)(F)F)C1=N[N-]N=N1	REAL300020163809	0	36	-1.0	-42.82	344.02	4.19	-38.63
CSCC[C@H](NC(=O)C(C)CSC(F)(F)F)C1=NN=N[N-]1	REAL300020163809	1	36	-1.0	-42.84	344.08	4.21	-38.63
CSCC[C@H](NC(=O)C1SCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163810	0	41	-1.0	-49.56	359.52	6.03	-43.53
CSCC[C@H](NC(=O)C1SCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163810	1	41	-1.0	-49.55	359.57	6.05	-43.50
CSCC[C@H](NC(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163811	0	45	-1.0	-46.89	395.02	7.78	-39.11
CSCC[C@H](NC(=O)CCC1=NN=CN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163811	1	45	-1.0	-46.86	395.08	7.79	-39.07
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL300020163812	0	43	-1.0	-55.94	393.34	3.85	-52.09
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL300020163812	1	43	-1.0	-55.93	393.40	3.87	-52.06
CSCC[C@H](NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020163813	0	50	-1.0	-51.01	417.25	4.15	-46.86
CSCC[C@H](NC(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020163813	1	50	-1.0	-50.97	417.31	4.16	-46.81
CSCC[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020163814	0	52	0.0	-65.76	420.81	7.64	-58.12
CSCC[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020163814	1	52	0.0	-66.20	422.13	7.70	-58.50
CSCC[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020163814	1	52	0.0	-65.75	420.86	7.66	-58.09
CSCC[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020163814	1	52	0.0	-66.18	422.18	7.72	-58.46
CSCC[C@H](NC(=O)CC(C)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020163815	0	45	-1.0	-51.67	389.83	6.82	-44.85
CSCC[C@H](NC(=O)CC(C)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020163815	1	45	-1.0	-51.67	389.88	6.83	-44.84
CSCC[C@H](NC(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL300020163816	0	43	-1.0	-54.40	377.66	5.41	-48.99
CSCC[C@H](NC(=O)C1=CC=CC(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL300020163816	1	43	-1.0	-54.37	377.61	5.39	-48.98
CSCC[C@H](NC(=O)C1=CC2=C(S1)N(C)N=C2C(C)C)C1=N[N-]N=N1	REAL300020163817	0	45	-1.0	-46.20	403.46	5.10	-41.10
CSCC[C@H](NC(=O)CCC1=CNC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL300020163818	0	46	-1.0	-46.96	396.84	6.28	-40.68
CSCC[C@H](NC(=O)CCC1=CNC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL300020163818	1	46	-1.0	-46.98	396.90	6.30	-40.68
CSCC[C@H](NC(=O)C1=CC=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL300020163819	0	38	-1.0	-50.72	333.44	4.58	-46.14
CSCC[C@H](NC(=O)C1=CC=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL300020163819	1	38	-1.0	-50.72	333.38	4.56	-46.16
CCOC(C)C1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020163820	0	42	-1.0	-46.64	381.63	2.68	-43.96
CCOC(C)C1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020163820	1	42	-1.0	-46.62	381.69	2.69	-43.93
CSCC[C@H](NC(=O)CC1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020163821	0	53	-1.0	-48.31	426.35	4.75	-43.56
CSCC[C@H](NC(=O)CC1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020163821	1	53	-1.0	-48.35	426.41	4.76	-43.59
COCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020163822	0	43	-1.0	-46.35	380.18	1.04	-45.31
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CSCC[C@H](NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=N[N-]N=N1	REAL300020163823	0	43	-1.0	-43.57	387.38	6.60	-36.97
CSCC[C@H](NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2N1C)C1=NN=N[N-]1	REAL300020163823	1	43	-1.0	-43.63	387.44	6.62	-37.01
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CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1C)C1=N[N-]N=N1	REAL300020163825	0	36	-1.0	-44.86	331.48	5.29	-39.57
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1C)C1=NN=N[N-]1	REAL300020163825	1	36	-1.0	-44.86	331.53	5.30	-39.56
CSCC[C@H](NC(=O)C1=CC=C(CNC(=O)C=C(C)C)C=C1)C1=N[N-]N=N1	REAL300020163826	0	50	-1.0	-48.36	429.70	5.21	-43.15
CSCC[C@H](NC(=O)C1=CC=C(CNC(=O)C=C(C)C)C=C1)C1=NN=N[N-]1	REAL300020163826	1	50	-1.0	-48.34	429.76	5.23	-43.11
CSCC[C@H](NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL300020163827	0	46	-1.0	-49.90	406.30	5.68	-44.22
CSCC[C@H](NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL300020163827	1	46	-1.0	-49.88	406.24	5.66	-44.22
CSCC[C@H](NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)O1)C1=N[N-]N=N1	REAL300020163828	0	50	-1.0	-46.22	430.17	2.73	-43.49
CSCC[C@H](NC(=O)C1=CC=C(CNC(=O)OC(C)(C)C)O1)C1=NN=N[N-]1	REAL300020163828	1	50	-1.0	-46.26	430.23	2.75	-43.51
CSCC[C@H](NC(=O)C(C)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL300020163829	0	36	-1.0	-47.54	351.73	5.22	-42.32
CSCC[C@H](NC(=O)C(C)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL300020163829	1	36	-1.0	-47.56	351.79	5.24	-42.32
CSCC[C@H](NC(=O)CNC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020163830	0	44	-1.0	-45.45	390.25	2.53	-42.92
CSCC[C@H](NC(=O)CNC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020163830	1	44	-1.0	-45.43	390.31	2.54	-42.89
CCC(OC1CCCC(C)C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163831	0	52	-1.0	-49.61	411.62	6.76	-42.85
CCC(OC1CCCC(C)C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163831	1	52	-1.0	-49.62	411.68	6.77	-42.85
CSCC[C@H](NC(=O)C(C)CCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163832	0	46	-1.0	-49.36	389.70	5.69	-43.67
CSCC[C@H](NC(=O)C(C)CCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163832	1	46	-1.0	-49.35	389.76	5.70	-43.65
CSCC[C@H](NC(=O)C1=CC=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL300020163833	0	36	-1.0	-44.44	336.98	5.27	-39.17
CSCC[C@H](NC(=O)C1=CC=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL300020163833	1	36	-1.0	-44.45	337.04	5.29	-39.16
CSCC[C@H](NC(=O)C1CC12CCOCC2)C1=N[N-]N=N1	REAL300020163834	0	41	-1.0	-47.42	345.26	3.13	-44.29
CSCC[C@H](NC(=O)C1CC12CCOCC2)C1=NN=N[N-]1	REAL300020163834	1	41	-1.0	-47.39	345.32	3.14	-44.25
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CNN=C2)C1)C1=N[N-]N=N1	REAL300020163835	0	41	-1.0	-46.16	360.09	1.54	-44.62
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CNN=C2)C1)C1=NN=N[N-]1	REAL300020163835	1	41	-1.0	-46.14	360.15	1.55	-44.59
CSCC[C@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300020163836	0	52	0.0	-56.30	403.32	6.44	-49.86
CSCC[C@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300020163836	1	52	0.0	-61.20	403.09	6.37	-54.83
CSCC[C@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300020163836	1	52	0.0	-56.30	403.27	6.42	-49.88
CSCC[C@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300020163836	1	52	0.0	-61.14	403.03	6.35	-54.79
CSCC[C@H](NC(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=N[N-]N=N1	REAL300020163837	0	36	-1.0	-51.90	339.96	5.14	-46.76
CSCC[C@H](NC(=O)C1=CC=CC(C(F)(F)F)=C1F)C1=NN=N[N-]1	REAL300020163837	1	36	-1.0	-51.88	340.02	5.15	-46.73
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NC2=CC=C(C)C=C21)C1=N[N-]N=N1	REAL300020163838	0	48	-1.0	-46.73	404.73	7.16	-39.57
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NC2=CC=C(C)C=C21)C1=NN=N[N-]1	REAL300020163838	1	48	-1.0	-46.73	404.79	7.18	-39.55
CSCC[C@H](NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020163839	0	51	-1.0	-52.11	431.07	3.78	-48.33
CSCC[C@H](NC(=O)COC1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020163839	1	51	-1.0	-52.13	431.13	3.80	-48.33
CSCC[C@H](NC(=O)C1CCN(CC2=NC=CN2C)CC1)C1=N[N-]N=N1	REAL300020163840	0	51	-1.0	-48.31	416.55	3.61	-44.70
CSCC[C@H](NC(=O)C1CCN(CC2=NC=CN2C)CC1)C1=NN=N[N-]1	REAL300020163840	1	51	-1.0	-48.28	416.61	3.63	-44.65
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=NC=C1)C1=N[N-]N=N1	REAL300020163841	0	39	-1.0	-50.30	348.39	2.35	-47.95
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=NC=C1)C1=NN=N[N-]1	REAL300020163841	1	39	-1.0	-50.25	348.45	2.36	-47.89
CSCC[C@H](NC(=O)C1=CC(C)=CC([N+](=O)[O-])=C1N)C1=N[N-]N=N1	REAL300020163842	0	40	-1.0	-44.63	353.30	3.82	-40.81
CSCC[C@H](NC(=O)C1=CC(C)=CC([N+](=O)[O-])=C1N)C1=NN=N[N-]1	REAL300020163842	1	40	-1.0	-44.68	353.36	3.84	-40.84
CSCC[C@H](NC(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)C1=N[N-]N=N1	REAL300020163843	0	46	-1.0	-49.42	404.79	6.32	-43.10
CSCC[C@H](NC(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)C1=NN=N[N-]1	REAL300020163843	1	46	-1.0	-49.47	404.85	6.33	-43.14
CSCC[C@H](NC(=O)C1=C(C(C)(C)C)N=CS1)C1=NN=N[N-]1	REAL300020163844	0	41	-1.0	-43.67	351.19	3.71	-39.96
CSCC[C@H](NC(=O)C1=C(C(C)(C)C)N=CS1)C1=N[N-]N=N1	REAL300020163844	1	41	-1.0	-43.65	351.13	3.70	-39.95
CSCC[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300020163845	0	53	-1.0	-44.66	429.64	4.11	-40.55
CSCC[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300020163845	1	53	-1.0	-44.60	429.69	4.13	-40.47
CSCC[C@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300020163846	0	42	-1.0	-50.05	372.21	1.44	-48.61
CSCC[C@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300020163846	1	42	-1.0	-50.06	372.26	1.45	-48.61
CSCC[C@H](NC(=O)C(C)CN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020163847	0	52	-1.0	-46.08	421.93	4.67	-41.41
CSCC[C@H](NC(=O)C(C)CN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020163847	1	52	-1.0	-46.13	421.99	4.68	-41.45
CSCC[C@H](NC(=O)CNS(=O)(=O)CCOC(C)C)C1=N[N-]N=N1	REAL300020163848	0	47	-1.0	-53.99	415.91	-1.05	-55.04
CSCC[C@H](NC(=O)CNS(=O)(=O)CCOC(C)C)C1=NN=N[N-]1	REAL300020163848	1	47	-1.0	-53.97	415.96	-1.04	-55.01
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=C(C)NC1=O)C1=N[N-]N=N1	REAL300020163849	0	46	-1.0	-56.21	398.21	5.43	-50.78
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=C(C)NC1=O)C1=NN=N[N-]1	REAL300020163849	1	46	-1.0	-56.24	398.27	5.45	-50.79
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)C1=N[N-]N=N1	REAL300020163850	0	39	-1.0	-53.05	336.71	-0.17	-53.22
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)C1=NN=N[N-]1	REAL300020163850	1	39	-1.0	-53.06	336.77	-0.15	-53.21
CSCC[C@H](NC(=O)C1CCCCN1CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020163851	0	51	-1.0	-47.54	421.23	5.65	-41.89
CSCC[C@H](NC(=O)C1CCCCN1CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020163851	1	51	-1.0	-47.58	421.29	5.67	-41.91
CSCC[C@H](NC(=O)C1CCCN1CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020163852	0	48	-1.0	-48.38	405.62	4.96	-43.42
CSCC[C@H](NC(=O)C1CCCN1CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020163852	1	48	-1.0	-48.39	405.67	4.98	-43.41
CSCC[C@H](NC(=O)C1=C(F)N2C=CC=CC2=N1)C1=NN=N[N-]1	REAL300020163853	0	36	-1.0	-53.39	333.81	4.55	-48.84
CSCC[C@H](NC(=O)C1=C(F)N2C=CC=CC2=N1)C1=N[N-]N=N1	REAL300020163853	1	36	-1.0	-53.39	333.75	4.53	-48.86
COC(=O)C1=CN(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1	REAL300020163854	0	38	-1.0	-54.13	354.18	1.38	-52.75
COC(=O)C1=CN(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1	REAL300020163854	1	38	-1.0	-54.16	354.13	1.36	-52.80
CSCC[C@H](NC(=O)C(C)(O)C(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163855	0	46	-1.0	-44.86	377.27	3.63	-41.23
CSCC[C@H](NC(=O)C(C)(O)C(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163855	1	46	-1.0	-44.85	377.33	3.64	-41.21
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)C(C)N2C)C1=N[N-]N=N1	REAL300020163856	0	46	-1.0	-48.19	387.33	1.81	-46.38
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)C(C)N2C)C1=NN=N[N-]1	REAL300020163856	1	46	-1.0	-48.19	387.39	1.83	-46.36
CSCC[C@H](NC(=O)CC1CCCCCC1)C1=N[N-]N=N1	REAL300020163857	0	45	-1.0	-46.33	354.33	5.42	-40.91
CSCC[C@H](NC(=O)CC1CCCCCC1)C1=NN=N[N-]1	REAL300020163857	1	45	-1.0	-46.28	354.39	5.43	-40.85
CSCC[C@H](NC(=O)C1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020163858	0	33	-1.0	-48.54	332.80	4.79	-43.75
CSCC[C@H](NC(=O)C1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020163858	1	33	-1.0	-48.55	332.85	4.80	-43.75
CSCC[C@H](NC(=O)CSC1=N[N-]C(=S)S1)C1=N[N-]N=N1	REAL300020163859	0	32	-2.0	-84.00	343.51	1.96	-82.04
CSCC[C@H](NC(=O)CSC1=N[N-]C(=S)S1)C1=NN=N[N-]1	REAL300020163859	1	32	-2.0	-83.99	343.57	1.98	-82.01
CSCC[C@H](NC(=O)CSC1=NNC(=S)S1)C1=N[N-]N=N1	REAL300020163859	1	33	-1.0	-44.59	346.93	2.11	-42.48
CSCC[C@H](NC(=O)CSC1=NNC(=S)S1)C1=NN=N[N-]1	REAL300020163859	1	33	-1.0	-44.64	346.99	2.12	-42.52
CSCC[C@H](NC(=O)C#CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163860	0	35	-1.0	-46.66	329.32	5.45	-41.21
CSCC[C@H](NC(=O)C#CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163860	1	35	-1.0	-46.65	329.37	5.46	-41.19
CSCC[C@H](NC(=O)CC1=COC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL300020163861	0	39	-1.0	-49.07	356.41	5.19	-43.88
CSCC[C@H](NC(=O)CC1=COC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL300020163861	1	39	-1.0	-49.07	356.46	5.20	-43.87
CSCC[C@H](NC(=O)C1=CC=C(Br)N=C1)C1=NN=N[N-]1	REAL300020163862	0	32	-1.0	-42.78	314.03	2.83	-39.95
CSCC[C@H](NC(=O)C1=CC=C(Br)N=C1)C1=N[N-]N=N1	REAL300020163862	1	32	-1.0	-42.79	313.97	2.81	-39.98
CSCC[C@H](NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020163863	0	50	-1.0	-46.85	418.17	4.12	-42.73
CSCC[C@H](NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020163863	1	50	-1.0	-46.87	418.22	4.14	-42.73
CSCC[C@H](NC(=O)C1=C(F)C(F)=CC(F)=C1F)C1=N[N-]N=N1	REAL300020163864	0	33	-1.0	-46.33	326.39	4.14	-42.19
CSCC[C@H](NC(=O)C1=C(F)C(F)=CC(F)=C1F)C1=NN=N[N-]1	REAL300020163864	1	33	-1.0	-46.29	326.44	4.15	-42.14
CSCC[C@H](NC(=O)C(C)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300020163865	0	36	-1.0	-47.52	347.09	5.12	-42.40
CSCC[C@H](NC(=O)C(C)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300020163865	1	36	-1.0	-47.51	347.15	5.14	-42.37
CSCC[C@H](NC(=O)C(C)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020163866	0	39	-1.0	-49.46	342.95	3.13	-46.33
CSCC[C@H](NC(=O)C(C)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020163866	1	39	-1.0	-49.48	342.89	3.12	-46.36
CSCC[C@H](NC(=O)CCCC1=CSC(C)=N1)C1=N[N-]N=N1	REAL300020163867	0	41	-1.0	-49.97	371.30	4.07	-45.90
CSCC[C@H](NC(=O)CCCC1=CSC(C)=N1)C1=NN=N[N-]1	REAL300020163867	1	41	-1.0	-49.95	371.36	4.08	-45.87
CSCC[C@H](NC(=O)C1=C(C)NN=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020163868	0	36	-1.0	-52.64	342.09	1.86	-50.78
CSCC[C@H](NC(=O)C1=C(C)NN=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020163868	1	36	-1.0	-52.62	342.15	1.88	-50.74
CSCC[C@H](NC(=O)C1=CC=CC(NC(C)C(C)C)=C1C)C1=N[N-]N=N1	REAL300020163869	0	53	-1.0	-46.11	417.77	6.38	-39.73
CSCC[C@H](NC(=O)C1=CC=CC(NC(C)C(C)C)=C1C)C1=NN=N[N-]1	REAL300020163869	1	53	-1.0	-46.12	417.83	6.40	-39.72
CSCC[C@H](NC(=O)CC=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020163870	0	40	-1.0	-46.13	359.61	6.14	-39.99
CSCC[C@H](NC(=O)CC=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020163870	1	40	-1.0	-46.15	359.67	6.16	-39.99
CCC1=CC=C(C(C)(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163871	0	48	-1.0	-48.57	395.68	7.13	-41.44
CCC1=CC=C(C(C)(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163871	1	48	-1.0	-48.58	395.74	7.15	-41.43
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NC2=C(C)C=C(C)C=C12)C1=N[N-]N=N1	REAL300020163872	0	51	-1.0	-47.21	424.85	7.99	-39.22
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NC2=C(C)C=C(C)C=C12)C1=NN=N[N-]1	REAL300020163872	1	51	-1.0	-47.21	424.91	8.00	-39.21
CSCC[C@H](NC(=O)C1=C2C=NN(C)C2=NC(C)=C1)C1=N[N-]N=N1	REAL300020163873	0	41	-1.0	-47.67	361.12	3.75	-43.92
CSCC[C@H](NC(=O)C1=C2C=NN(C)C2=NC(C)=C1)C1=NN=N[N-]1	REAL300020163873	1	41	-1.0	-47.66	361.18	3.77	-43.89
CNS(=O)(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020163874	0	41	-1.0	-51.31	371.81	0.05	-51.26
CNS(=O)(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020163874	1	41	-1.0	-51.33	371.86	0.07	-51.26
CSCC[C@H](NC(=O)C1CC(OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020163875	0	47	-1.0	-52.31	404.10	6.03	-46.28
CSCC[C@H](NC(=O)C1CC(OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020163875	1	47	-1.0	-52.35	404.16	6.05	-46.30
CSCC[C@H](NC(=O)C1=CN2N=NN=C2C=C1)C1=NN=N[N-]1	REAL300020163876	0	34	-1.0	-46.71	314.03	2.22	-44.49
CSCC[C@H](NC(=O)C1=CN2N=NN=C2C=C1)C1=N[N-]N=N1	REAL300020163876	1	34	-1.0	-46.69	313.97	2.21	-44.48
CCC(OC1=CC=CC=C1F)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163877	0	43	-1.0	-54.91	369.02	5.94	-48.97
CCC(OC1=CC=CC=C1F)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163877	1	43	-1.0	-54.88	369.07	5.95	-48.93
CSCC[C@H](NC(=O)C(C)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300020163878	0	39	-1.0	-49.29	369.98	6.28	-43.01
CSCC[C@H](NC(=O)C(C)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300020163878	1	39	-1.0	-49.31	370.04	6.30	-43.01
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020163879	0	40	-1.0	-45.22	355.65	6.17	-39.05
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020163879	1	40	-1.0	-45.22	355.59	6.16	-39.06
CSCC[C@H](NC(=O)CCCC1=C(C)SC(C)=C1)C1=N[N-]N=N1	REAL300020163880	0	45	-1.0	-47.41	394.75	6.73	-40.68
CSCC[C@H](NC(=O)CCCC1=C(C)SC(C)=C1)C1=NN=N[N-]1	REAL300020163880	1	45	-1.0	-47.38	394.80	6.75	-40.63
CSCC[C@H](NC(=O)C1=C(C)OC(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020163881	0	44	-1.0	-49.60	397.93	0.86	-48.74
CSCC[C@H](NC(=O)C1=C(C)OC(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020163881	1	44	-1.0	-49.62	397.98	0.88	-48.74
CSCC[C@H](NC(=O)C(C)C1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020163882	0	45	-1.0	-49.64	383.97	7.56	-42.08
CSCC[C@H](NC(=O)C(C)C1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020163882	1	45	-1.0	-49.66	384.02	7.58	-42.08
CCCCCC(C)(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163883	0	47	-1.0	-46.23	379.30	5.83	-40.40
CCCCCC(C)(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163883	1	47	-1.0	-46.22	379.36	5.85	-40.37
CSCC[C@H](NC(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=N[N-]N=N1	REAL300020163884	0	36	-1.0	-45.82	345.50	4.99	-40.83
CSCC[C@H](NC(=O)C1=CC2=CC=CC(Cl)=C2O1)C1=NN=N[N-]1	REAL300020163884	1	36	-1.0	-45.82	345.56	5.01	-40.81
CSCC[C@H](NC(=O)CCC1CCCOC1)C1=N[N-]N=N1	REAL300020163885	0	43	-1.0	-45.57	355.40	3.35	-42.22
CSCC[C@H](NC(=O)CCC1CCCOC1)C1=NN=N[N-]1	REAL300020163885	1	43	-1.0	-45.59	355.45	3.37	-42.22
CSCC[C@H](NC(=O)C1=NC=CC=C1OCC(F)(F)F)C1=NN=N[N-]1	REAL300020163886	0	39	-1.0	-56.35	363.74	4.32	-52.03
CSCC[C@H](NC(=O)C1=NC=CC=C1OCC(F)(F)F)C1=N[N-]N=N1	REAL300020163886	1	39	-1.0	-56.32	363.68	4.30	-52.02
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020163887	0	45	-1.0	-44.37	398.78	6.92	-37.45
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020163887	1	45	-1.0	-44.36	398.84	6.94	-37.42
CSCC[C@H](NC(=O)C1(C)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020163888	0	53	-1.0	-49.35	430.26	4.61	-44.74
CSCC[C@H](NC(=O)C1(C)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020163888	1	53	-1.0	-49.38	430.32	4.63	-44.75
CCC(C)OC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163889	0	46	-1.0	-46.43	387.47	5.76	-40.67
CCC(C)OC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163889	1	46	-1.0	-46.44	387.53	5.78	-40.66
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C=NN2C)C1=NN=N[N-]1	REAL300020163890	0	38	-1.0	-46.23	342.06	3.24	-42.99
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C=NN2C)C1=N[N-]N=N1	REAL300020163890	1	38	-1.0	-46.28	342.01	3.22	-43.06
CSCC[C@H](NC(=O)C1CSCCS1)C1=N[N-]N=N1	REAL300020163891	0	35	-1.0	-44.36	325.91	3.82	-40.54
CSCC[C@H](NC(=O)C1CSCCS1)C1=NN=N[N-]1	REAL300020163891	1	35	-1.0	-44.37	325.97	3.84	-40.53
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=N1	REAL300020163892	0	38	-1.0	-49.97	348.53	2.95	-47.02
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=N1	REAL300020163892	1	38	-1.0	-49.96	348.47	2.93	-47.03
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C1=N[N-]N=N1	REAL300020163893	0	43	-2.0	-114.68	393.46	4.34	-110.34
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C1=NN=N[N-]1	REAL300020163893	1	43	-2.0	-114.67	393.51	4.35	-110.32
CSCC[C@H](NC(=O)CCOC1CCOCC1)C1=N[N-]N=N1	REAL300020163894	0	44	-1.0	-44.40	370.77	2.09	-42.31
CSCC[C@H](NC(=O)CCOC1CCOCC1)C1=NN=N[N-]1	REAL300020163894	1	44	-1.0	-44.45	370.83	2.11	-42.34
CSCC[C@H](NC(=O)CCN1C(=O)C=C(O)C=C1C)C1=N[N-]N=N1	REAL300020163895	0	43	-1.0	-58.44	373.57	1.38	-57.06
CSCC[C@H](NC(=O)CCN1C(=O)C=C(O)C=C1C)C1=NN=N[N-]1	REAL300020163895	1	43	-1.0	-58.43	373.62	1.39	-57.04
CSCC[C@H](NC(=O)CN1C(=O)C=C(O)C=C1C)C1=N[N-]N=N1	REAL300020163896	0	40	-1.0	-50.53	353.57	0.95	-49.58
CSCC[C@H](NC(=O)CN1C(=O)C=C(O)C=C1C)C1=NN=N[N-]1	REAL300020163896	1	40	-1.0	-50.53	353.62	0.97	-49.56
CSCC[C@H](NC(=O)C(C)C1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020163897	0	45	-1.0	-54.15	398.77	2.84	-51.31
CSCC[C@H](NC(=O)C(C)C1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020163897	1	45	-1.0	-54.12	398.83	2.85	-51.27
CSCC[C@H](NC(=O)C1=CC(F)=CC(C)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020163898	0	38	-1.0	-52.99	350.84	6.69	-46.30
CSCC[C@H](NC(=O)C1=CC(F)=CC(C)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020163898	1	38	-1.0	-52.98	350.90	6.70	-46.28
CSCC[C@H](NC(=O)C(F)(F)C1=CNC(=O)NC1=O)C1=NN=N[N-]1	REAL300020163899	0	36	-1.0	-49.70	336.04	0.47	-49.23
CSCC[C@H](NC(=O)C(F)(F)C1=CNC(=O)NC1=O)C1=N[N-]N=N1	REAL300020163899	1	36	-1.0	-49.71	335.98	0.46	-49.25
COC1=CC=CC(C(C)CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020163900	0	46	-1.0	-48.80	386.49	5.29	-43.51
COC1=CC=CC(C(C)CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163900	1	46	-1.0	-48.78	386.55	5.31	-43.47
CSCC[C@H](NC(=O)C=C(C)C1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020163901	0	44	-1.0	-47.57	390.81	5.70	-41.87
CSCC[C@H](NC(=O)C=C(C)C1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020163901	1	44	-1.0	-47.57	390.87	5.71	-41.86
CNS(=O)(=O)C1=CSC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020163902	0	38	-1.0	-50.67	367.60	-0.79	-51.46
CNS(=O)(=O)C1=CSC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163902	1	38	-1.0	-50.68	367.66	-0.77	-51.45
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020163903	0	41	-1.0	-44.70	374.62	6.15	-38.55
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020163903	1	41	-1.0	-44.66	374.67	6.17	-38.49
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL300020163904	0	41	-1.0	-46.44	351.33	5.03	-41.41
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL300020163904	1	41	-1.0	-46.48	351.38	5.05	-41.43
CNS(=O)(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C)O1	REAL300020163905	0	41	-1.0	-49.88	378.22	-0.92	-50.80
CNS(=O)(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C)O1	REAL300020163905	1	41	-1.0	-49.85	378.27	-0.91	-50.76
CSCC[C@H](NC(=O)C1=CC(C)=C(Br)S1)C1=N[N-]N=N1	REAL300020163906	0	33	-1.0	-42.59	330.78	4.41	-38.18
CSCC[C@H](NC(=O)C1=CC(C)=C(Br)S1)C1=NN=N[N-]1	REAL300020163906	1	33	-1.0	-42.59	330.83	4.43	-38.16
CSCC[C@H](NC(=O)C1=CC(C)=C(F)C=C1F)C1=N[N-]N=N1	REAL300020163907	0	36	-1.0	-46.84	328.76	4.87	-41.97
CSCC[C@H](NC(=O)C1=CC(C)=C(F)C=C1F)C1=NN=N[N-]1	REAL300020163907	1	36	-1.0	-46.84	328.81	4.89	-41.95
COC1=CC=C(OC)C(C(F)(F)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163908	0	44	-1.0	-48.71	388.54	3.56	-45.15
COC1=CC=C(OC)C(C(F)(F)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020163908	1	44	-1.0	-48.74	388.48	3.54	-45.20
CSCC[C@H](NC(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=NN=N[N-]1	REAL300020163909	0	45	-1.0	-46.05	401.32	4.99	-41.06
CSCC[C@H](NC(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)C1=N[N-]N=N1	REAL300020163909	1	45	-1.0	-46.01	401.26	4.98	-41.03
CSCC[C@H](NC(=O)C1=CC=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL300020163910	0	33	-1.0	-49.09	314.65	4.29	-44.80
CSCC[C@H](NC(=O)C1=CC=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL300020163910	1	33	-1.0	-49.09	314.71	4.31	-44.78
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2OC1=O)C1=N[N-]N=N1	REAL300020163911	0	41	-1.0	-53.26	357.39	6.08	-47.18
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2OC1=O)C1=NN=N[N-]1	REAL300020163911	1	41	-1.0	-53.25	357.44	6.10	-47.15
CSCC[C@H](NC(=O)CCOC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL300020163912	0	44	-1.0	-48.21	386.48	1.19	-47.02
CSCC[C@H](NC(=O)CCOC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL300020163912	1	44	-1.0	-48.23	386.53	1.20	-47.03
CSCC[C@H](NC(=O)CC(C)C(=O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020163913	0	44	-1.0	-45.57	385.81	5.97	-39.60
CSCC[C@H](NC(=O)CC(C)C(=O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020163913	1	44	-1.0	-45.59	385.87	5.98	-39.61
CSCC[C@H](NC(=O)CCC1=CNC2=CC=C(C)C=C12)C1=N[N-]N=N1	REAL300020163914	0	46	-1.0	-47.19	396.84	6.30	-40.89
CSCC[C@H](NC(=O)CCC1=CNC2=CC=C(C)C=C12)C1=NN=N[N-]1	REAL300020163914	1	46	-1.0	-47.13	396.89	6.31	-40.82
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300020163915	0	43	-1.0	-48.29	389.60	6.34	-41.95
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300020163915	1	43	-1.0	-48.32	389.66	6.36	-41.96
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020163916	0	37	-1.0	-46.31	351.33	5.42	-40.89
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020163916	1	37	-1.0	-46.31	351.39	5.44	-40.87
CSCC[C@H](NC(=O)C1=C(C(F)F)ON=C1C)C1=N[N-]N=N1	REAL300020163917	0	35	-1.0	-45.02	334.07	3.19	-41.83
CSCC[C@H](NC(=O)C1=C(C(F)F)ON=C1C)C1=NN=N[N-]1	REAL300020163917	1	35	-1.0	-45.02	334.13	3.20	-41.82
CSCC[C@H](NC(=O)CCC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020163918	0	39	-1.0	-44.28	364.85	6.19	-38.09
CSCC[C@H](NC(=O)CCC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020163918	1	39	-1.0	-44.28	364.91	6.21	-38.07
COC1=CC=C(F)C=C1C(F)(F)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163919	0	40	-1.0	-46.31	365.46	4.33	-41.98
COC1=CC=C(F)C=C1C(F)(F)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163919	1	40	-1.0	-46.27	365.40	4.32	-41.95
CCC(OC1=CC=CC=C1Cl)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163920	0	43	-1.0	-52.45	378.82	6.40	-46.05
CCC(OC1=CC=CC=C1Cl)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163920	1	43	-1.0	-52.42	378.87	6.42	-46.00
CSCC[C@H](NC(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C1=N[N-]N=N1	REAL300020163921	0	43	-1.0	-49.92	379.65	5.30	-44.62
CSCC[C@H](NC(=O)C1=CC=C(C(=O)C2=CNC=C2)C=C1)C1=NN=N[N-]1	REAL300020163921	1	43	-1.0	-49.93	379.71	5.32	-44.61
CSCC[C@H](NC(=O)C1=C(Br)C=CO1)C1=N[N-]N=N1	REAL300020163922	0	30	-1.0	-46.04	300.41	2.71	-43.33
CSCC[C@H](NC(=O)C1=C(Br)C=CO1)C1=NN=N[N-]1	REAL300020163922	1	30	-1.0	-46.04	300.47	2.73	-43.31
COCCOC1=CC=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163923	0	44	-1.0	-52.90	397.06	5.30	-47.60
COCCOC1=CC=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163923	1	44	-1.0	-52.90	397.11	5.32	-47.58
CSCC[C@H](NC(=O)C(C)C1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020163924	0	42	-1.0	-54.73	369.07	6.36	-48.37
CSCC[C@H](NC(=O)C(C)C1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020163924	1	42	-1.0	-54.73	369.12	6.37	-48.36
CNS(=O)(=O)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163925	0	34	-1.0	-57.16	318.57	-2.80	-59.96
CNS(=O)(=O)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163925	1	34	-1.0	-57.15	318.63	-2.79	-59.94
CSCC[C@H](NC(=O)CCOC1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020163926	0	44	-1.0	-50.95	386.55	1.17	-49.78
CSCC[C@H](NC(=O)CCOC1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020163926	1	44	-1.0	-50.94	386.61	1.19	-49.75
CSCC[C@H](NC(=O)C1=CNC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL300020163927	0	36	-1.0	-49.71	324.18	0.78	-48.93
CSCC[C@H](NC(=O)C1=CNC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL300020163927	1	36	-1.0	-49.69	324.23	0.79	-48.90
CSCC[C@H](NC(=O)C1=CC(C#N)=CS1)C1=N[N-]N=N1	REAL300020163928	0	31	-1.0	-46.78	310.59	3.48	-43.30
CSCC[C@H](NC(=O)C1=CC(C#N)=CS1)C1=NN=N[N-]1	REAL300020163928	1	31	-1.0	-46.76	310.64	3.49	-43.27
CSCC[C@H](NC(=O)CCCOC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300020163929	0	49	-1.0	-49.66	411.93	6.37	-43.29
CSCC[C@H](NC(=O)CCCOC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300020163929	1	49	-1.0	-49.66	411.99	6.38	-43.28
CSCC[C@H](NC(=O)C1=CC(C(C)C)=NN1C)C1=N[N-]N=N1	REAL300020163930	0	42	-1.0	-44.23	360.12	3.69	-40.54
CSCC[C@H](NC(=O)C1=CC(C(C)C)=NN1C)C1=NN=N[N-]1	REAL300020163930	1	42	-1.0	-44.23	360.18	3.71	-40.52
CSCC[C@H](NC(=O)C1=C(C)OC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL300020163931	0	42	-1.0	-49.18	380.97	1.10	-48.08
CSCC[C@H](NC(=O)C1=C(C)OC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL300020163931	1	42	-1.0	-49.17	380.92	1.09	-48.08
CSCC[C@H](NC(=O)CCC1=NN=C(C(C)C)O1)C1=N[N-]N=N1	REAL300020163932	0	43	-1.0	-46.00	377.96	-0.15	-46.15
CSCC[C@H](NC(=O)CCC1=NN=C(C(C)C)O1)C1=NN=N[N-]1	REAL300020163932	1	43	-1.0	-46.02	378.02	-0.13	-46.15
CSCC[C@H](NC(=O)C1=NN(C)C(C(C)C)=C1)C1=N[N-]N=N1	REAL300020163933	0	42	-1.0	-50.17	362.58	3.60	-46.57
CSCC[C@H](NC(=O)C1=NN(C)C(C(C)C)=C1)C1=NN=N[N-]1	REAL300020163933	1	42	-1.0	-50.12	362.64	3.61	-46.51
COCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163934	0	47	-1.0	-47.29	403.96	4.21	-43.08
COCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163934	1	47	-1.0	-47.28	404.02	4.22	-43.06
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020163935	0	43	-1.0	-48.37	373.96	6.60	-41.77
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020163935	1	43	-1.0	-48.37	374.02	6.62	-41.75
CSCC[C@H]([N-]C(=O)C(F)(F)C(F)F)C1=N[N-]N=N1	REAL300020163936	0	28	-2.0	-101.25	282.87	0.29	-100.96
CSCC[C@H](NC(=O)C(F)(F)C(F)F)C1=N[N-]N=N1	REAL300020163936	1	29	-1.0	-38.13	286.64	2.24	-35.89
CSCC[C@H](NC(=O)C1=NC=NC=C1Cl)C1=NN=N[N-]1	REAL300020163937	0	31	-1.0	-43.50	302.58	2.72	-40.78
CSCC[C@H](NC(=O)C1=NC=NC=C1Cl)C1=N[N-]N=N1	REAL300020163937	1	31	-1.0	-43.51	302.52	2.70	-40.81
CSCC[C@H](NC(=O)C(C)CS(C)(=O)=O)C1=N[N-]N=N1	REAL300020163938	0	38	-1.0	-49.55	339.64	0.12	-49.43
CSCC[C@H](NC(=O)C(C)CS(C)(=O)=O)C1=NN=N[N-]1	REAL300020163938	1	38	-1.0	-49.53	339.70	0.13	-49.40
COC1=CSC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020163939	0	34	-1.0	-46.24	320.17	2.43	-43.81
COC1=CSC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020163939	1	34	-1.0	-46.20	320.23	2.44	-43.76
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2)CC2CCC1C2)C1=N[N-]N=N1	REAL300020163940	0	53	-1.0	-51.59	413.26	8.25	-43.34
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2)CC2CCC1C2)C1=NN=N[N-]1	REAL300020163940	1	53	-1.0	-51.55	413.33	8.26	-43.29
CSCC[C@H](NC(=O)C1(C)CCN(C(C)=O)C1)C1=N[N-]N=N1	REAL300020163941	0	43	-1.0	-58.19	362.86	2.95	-55.24
CSCC[C@H](NC(=O)C1(C)CCN(C(C)=O)C1)C1=NN=N[N-]1	REAL300020163941	1	43	-1.0	-58.18	362.92	2.96	-55.22
CSCC[C@H](NC(=O)C1=CC=C(F)C(CSC)=C1)C1=N[N-]N=N1	REAL300020163942	0	40	-1.0	-45.42	368.94	6.00	-39.42
CSCC[C@H](NC(=O)C1=CC=C(F)C(CSC)=C1)C1=NN=N[N-]1	REAL300020163942	1	40	-1.0	-45.42	368.99	6.01	-39.41
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020163943	0	35	-1.0	-58.33	340.72	6.43	-51.90
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020163943	1	35	-1.0	-58.35	340.77	6.45	-51.90
COC1=CC=C(C(C)CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163944	0	46	-1.0	-45.42	386.48	5.30	-40.12
COC1=CC=C(C(C)CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163944	1	46	-1.0	-45.43	386.54	5.32	-40.11
CCSC1=CC=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020163945	0	40	-1.0	-46.51	371.43	6.47	-40.04
CCSC1=CC=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020163945	1	40	-1.0	-46.48	371.48	6.48	-40.00
CSCC[C@H](NC(=O)C1=CC=CC(SCC#N)=C1)C1=N[N-]N=N1	REAL300020163946	0	38	-1.0	-54.33	358.52	5.70	-48.63
CSCC[C@H](NC(=O)C1=CC=CC(SCC#N)=C1)C1=NN=N[N-]1	REAL300020163946	1	38	-1.0	-54.38	358.57	5.71	-48.67
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020163947	0	41	-1.0	-50.74	359.82	5.92	-44.82
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020163947	1	41	-1.0	-50.76	359.88	5.94	-44.82
CSCC[C@H](NC(=O)C1=NC2=CC(Cl)=CC=C2C=C1)C1=NN=N[N-]1	REAL300020163948	0	38	-1.0	-47.08	357.74	5.06	-42.02
CSCC[C@H](NC(=O)C1=NC2=CC(Cl)=CC=C2C=C1)C1=N[N-]N=N1	REAL300020163948	1	38	-1.0	-47.12	357.69	5.04	-42.08
CSCC[C@H](NC(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020163949	0	46	-1.0	-46.29	377.83	5.24	-41.05
CSCC[C@H](NC(=O)C1=CC=C(OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020163949	1	46	-1.0	-46.33	377.89	5.26	-41.07
CSCC[C@H](NC(=O)CCCCCC(C)C)C1=N[N-]N=N1	REAL300020163950	0	47	-1.0	-45.29	387.21	6.17	-39.12
CSCC[C@H](NC(=O)CCCCCC(C)C)C1=NN=N[N-]1	REAL300020163950	1	47	-1.0	-45.27	387.26	6.19	-39.08
CSCC[C@H](NC(=O)CCC1=CC=C(C)O1)C1=N[N-]N=N1	REAL300020163951	0	39	-1.0	-46.76	346.22	4.50	-42.26
CSCC[C@H](NC(=O)CCC1=CC=C(C)O1)C1=NN=N[N-]1	REAL300020163951	1	39	-1.0	-46.74	346.28	4.52	-42.22
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=NN=N[N-]1	REAL300020163952	0	40	-1.0	-48.20	374.16	6.88	-41.32
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(Cl)=C2)C=N1)C1=N[N-]N=N1	REAL300020163952	1	40	-1.0	-48.18	374.11	6.87	-41.31
CSCC[C@H](NC(=O)CCCC1=CC=C(C)S1)C1=N[N-]N=N1	REAL300020163953	0	42	-1.0	-47.24	377.16	6.23	-41.01
CSCC[C@H](NC(=O)CCCC1=CC=C(C)S1)C1=NN=N[N-]1	REAL300020163953	1	42	-1.0	-47.25	377.22	6.24	-41.01
CSCC[C@H](NC(=O)C1=CC=C(C2(C)NC(=O)NC2=O)C=C1)C1=N[N-]N=N1	REAL300020163954	0	45	-1.0	-49.52	393.51	1.13	-48.39
CSCC[C@H](NC(=O)C1=CC=C(C2(C)NC(=O)NC2=O)C=C1)C1=NN=N[N-]1	REAL300020163954	1	45	-1.0	-49.53	393.57	1.14	-48.39
CSCC[C@H](NC(=O)CN1C(C)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020163955	0	42	-1.0	-52.32	370.11	5.62	-46.70
CSCC[C@H](NC(=O)CN1C(C)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020163955	1	42	-1.0	-52.35	370.16	5.63	-46.72
COC1=C2OC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC2=C(C=O)C=C1	REAL300020163956	0	42	-1.0	-46.86	381.43	3.51	-43.35
COC1=C2OC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC2=C(C=O)C=C1	REAL300020163956	1	42	-1.0	-46.86	381.49	3.53	-43.33
CSCC[C@H](NC(=O)C=C(C)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020163957	0	40	-1.0	-43.64	368.78	6.60	-37.04
CSCC[C@H](NC(=O)C=C(C)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020163957	1	40	-1.0	-43.64	368.84	6.61	-37.03
COC(=O)COC1=C(C)C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020163958	0	49	-1.0	-48.52	425.08	6.48	-42.04
COC(=O)COC1=C(C)C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020163958	1	49	-1.0	-48.52	425.14	6.50	-42.02
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020163959	0	36	-1.0	-45.84	326.99	0.96	-44.88
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020163959	1	36	-1.0	-45.82	326.93	0.94	-44.88
CSCC[C@H](NC(=O)COC1CCOC1)C1=N[N-]N=N1	REAL300020163960	0	38	-1.0	-52.46	332.18	1.56	-50.90
CSCC[C@H](NC(=O)COC1CCOC1)C1=NN=N[N-]1	REAL300020163960	1	38	-1.0	-52.44	332.23	1.57	-50.87
CSCC[C@H](NC(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL300020163961	0	43	-1.0	-48.58	383.57	5.22	-43.36
CSCC[C@H](NC(=O)C1=CC(OC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL300020163961	1	43	-1.0	-48.50	383.51	5.21	-43.29
CSCC[C@H](NC(=O)C1(SC2=CC=C(C)C=C2)CCCC1)C1=N[N-]N=N1	REAL300020163962	0	50	-1.0	-43.92	415.54	8.04	-35.88
CSCC[C@H](NC(=O)C1(SC2=CC=C(C)C=C2)CCCC1)C1=NN=N[N-]1	REAL300020163962	1	50	-1.0	-43.92	415.60	8.06	-35.86
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=N[N-]N=N1	REAL300020163963	0	36	-1.0	-47.02	340.79	5.16	-41.86
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=NN=N[N-]1	REAL300020163963	1	36	-1.0	-47.00	340.85	5.17	-41.83
CSCC[C@H](NC(=O)C(C)SC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020163964	0	39	-1.0	-48.30	355.76	4.61	-43.69
CSCC[C@H](NC(=O)C(C)SC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020163964	1	39	-1.0	-48.30	355.71	4.60	-43.70
CSCC[C@H](NC(=O)C=CSCC1=CC=CO1)C1=N[N-]N=N1	REAL300020163965	0	38	-1.0	-46.82	359.89	4.74	-42.08
CSCC[C@H](NC(=O)C=CSCC1=CC=CO1)C1=NN=N[N-]1	REAL300020163965	1	38	-1.0	-46.83	359.94	4.75	-42.08
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=C1	REAL300020163966	0	40	-1.0	-45.63	365.49	4.46	-41.17
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=C1	REAL300020163966	1	40	-1.0	-45.67	365.54	4.48	-41.19
CSCC[C@H](NC(=O)C1=CSC(C=O)=C1)C1=N[N-]N=N1	REAL300020163967	0	32	-1.0	-53.75	311.82	2.85	-50.90
CSCC[C@H](NC(=O)C1=CSC(C=O)=C1)C1=NN=N[N-]1	REAL300020163967	1	32	-1.0	-53.77	311.88	2.87	-50.90
COC1=CC=C(C(=O)CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020163968	0	45	-1.0	-47.48	399.37	4.79	-42.69
COC1=CC=C(C(=O)CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020163968	1	45	-1.0	-47.54	399.43	4.80	-42.74
CSCC[C@H](NC(=O)CCC1=CC=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL300020163969	0	42	-1.0	-44.41	383.06	6.75	-37.66
CSCC[C@H](NC(=O)CCC1=CC=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL300020163969	1	42	-1.0	-44.45	383.12	6.77	-37.68
CSCC[C@H](NC(=O)C1=CC=C(CNS(C)(=O)=O)O1)C1=N[N-]N=N1	REAL300020163970	0	41	-1.0	-57.88	382.20	-0.90	-58.78
CSCC[C@H](NC(=O)C1=CC=C(CNS(C)(=O)=O)O1)C1=NN=N[N-]1	REAL300020163970	1	41	-1.0	-57.89	382.26	-0.89	-58.78
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=C(N(C)C)C=C2)=C1)C1=NN=N[N-]1	REAL300020163971	0	50	-1.0	-47.84	418.37	6.14	-41.70
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=C(N(C)C)C=C2)=C1)C1=N[N-]N=N1	REAL300020163971	1	50	-1.0	-47.86	418.32	6.12	-41.74
COCCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCC1	REAL300020163972	0	43	-1.0	-47.59	360.55	3.27	-44.32
COCCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCC1	REAL300020163972	1	43	-1.0	-47.63	360.61	3.29	-44.34
CCC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163973	0	41	-1.0	-49.71	360.57	5.37	-44.34
CCC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163973	1	41	-1.0	-49.73	360.62	5.39	-44.34
CSCC[C@H](NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020163974	0	55	-1.0	-47.24	445.51	6.12	-41.12
CSCC[C@H](NC(=O)CN(CC(C)C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020163974	1	55	-1.0	-47.25	445.57	6.14	-41.11
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)(C)C)N=C1SC)C1=N[N-]N=N1	REAL300020163975	0	50	-1.0	-44.43	434.89	5.55	-38.88
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)(C)C)N=C1SC)C1=NN=N[N-]1	REAL300020163975	1	50	-1.0	-44.46	434.94	5.57	-38.89
CSCC[C@H](NC(=O)COCC=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020163976	0	44	-1.0	-50.41	387.77	6.42	-43.99
CSCC[C@H](NC(=O)COCC=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020163976	1	44	-1.0	-50.41	387.83	6.44	-43.97
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=NC=C1)C1=N[N-]N=N1	REAL300020163977	0	41	-1.0	-48.25	372.60	4.01	-44.24
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=NC=C1)C1=NN=N[N-]1	REAL300020163977	1	41	-1.0	-48.22	372.66	4.02	-44.20
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020163978	0	37	-1.0	-45.17	333.22	3.45	-41.72
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020163978	1	37	-1.0	-45.18	333.28	3.47	-41.71
CSCC[C@H](NC(=O)C1=CN(CC(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300020163979	0	39	-1.0	-50.45	360.04	3.79	-46.66
CSCC[C@H](NC(=O)C1=CN(CC(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300020163979	1	39	-1.0	-50.46	360.10	3.81	-46.65
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=C(C)O1)C1=N[N-]N=N1	REAL300020163980	0	38	-1.0	-51.24	356.75	-2.14	-53.38
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=C(C)O1)C1=NN=N[N-]1	REAL300020163980	1	38	-1.0	-51.22	356.80	-2.13	-53.35
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CN(C)C=N1)C1=NN=N[N-]1	REAL300020163981	0	41	-1.0	-56.88	380.31	-0.43	-57.31
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CN(C)C=N1)C1=N[N-]N=N1	REAL300020163981	1	41	-1.0	-56.85	380.25	-0.44	-57.29
CCC(C)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020163982	0	45	-1.0	-46.23	376.13	6.65	-39.58
CCC(C)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020163982	1	45	-1.0	-46.22	376.19	6.66	-39.56
CSCC[C@H](NC(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020163983	0	41	-1.0	-46.40	371.78	6.24	-40.16
CSCC[C@H](NC(=O)CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020163983	1	41	-1.0	-46.42	371.83	6.25	-40.17
CSCC[C@H](NC(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020163984	0	42	-1.0	-46.09	388.03	5.72	-40.37
CSCC[C@H](NC(=O)C1=CN=C(CC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020163984	1	42	-1.0	-46.08	388.09	5.74	-40.34
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(F)C=C2)=C(C)S1)C1=N[N-]N=N1	REAL300020163985	0	43	-1.0	-46.17	394.34	7.44	-38.73
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(F)C=C2)=C(C)S1)C1=NN=N[N-]1	REAL300020163985	1	43	-1.0	-46.18	394.40	7.46	-38.72
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300020163986	0	33	-1.0	-50.94	318.26	4.65	-46.29
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300020163986	1	33	-1.0	-50.95	318.32	4.66	-46.29
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL300020163987	0	42	-1.0	-45.58	370.13	5.71	-39.87
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL300020163987	1	42	-1.0	-45.60	370.19	5.72	-39.88
CSCC[C@H](NC(=O)C1=C(F)C=C(C#N)C=C1F)C1=N[N-]N=N1	REAL300020163988	0	34	-1.0	-47.59	334.62	4.41	-43.18
CSCC[C@H](NC(=O)C1=C(F)C=C(C#N)C=C1F)C1=NN=N[N-]1	REAL300020163988	1	34	-1.0	-47.58	334.68	4.42	-43.16
CSCC[C@H](NC(=O)C1=C(F)C=C(Br)C=C1F)C1=N[N-]N=N1	REAL300020163989	0	33	-1.0	-46.30	335.10	4.66	-41.64
CSCC[C@H](NC(=O)C1=C(F)C=C(Br)C=C1F)C1=NN=N[N-]1	REAL300020163989	1	33	-1.0	-46.30	335.16	4.67	-41.63
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020163990	0	44	-1.0	-44.53	383.47	6.06	-38.47
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020163990	1	44	-1.0	-44.51	383.41	6.04	-38.47
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1Br)C1=N[N-]N=N1	REAL300020163991	0	36	-1.0	-47.17	335.20	5.38	-41.79
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1Br)C1=NN=N[N-]1	REAL300020163991	1	36	-1.0	-47.14	335.26	5.39	-41.75
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020163992	0	40	-1.0	-50.59	370.16	4.62	-45.97
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020163992	1	40	-1.0	-50.62	370.21	4.64	-45.98
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020163993	0	40	-1.0	-50.66	371.57	4.59	-46.07
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020163993	1	40	-1.0	-50.66	371.63	4.61	-46.05
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020163994	0	40	-1.0	-51.89	363.20	4.13	-47.76
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020163994	1	40	-1.0	-51.92	363.25	4.15	-47.77
CSCC[C@H](NC(=O)CCC(=O)C1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020163995	0	44	-1.0	-47.18	397.50	6.74	-40.44
CSCC[C@H](NC(=O)CCC(=O)C1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020163995	1	44	-1.0	-47.17	397.55	6.75	-40.42
CSCC[C@H](NC(=O)CC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020163996	0	36	-1.0	-44.75	333.98	4.87	-39.88
CSCC[C@H](NC(=O)CC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020163996	1	36	-1.0	-44.79	334.03	4.88	-39.91
CSCC[C@H](NC(=O)CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020163997	0	36	-1.0	-49.01	334.87	4.88	-44.13
CSCC[C@H](NC(=O)CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020163997	1	36	-1.0	-49.02	334.93	4.90	-44.12
CSCC[C@H](NC(=O)CC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020163998	0	36	-1.0	-48.55	332.78	4.81	-43.74
CSCC[C@H](NC(=O)CC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020163998	1	36	-1.0	-48.56	332.84	4.83	-43.73
CSCC[C@H](NC(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020163999	0	36	-1.0	-42.56	342.65	5.14	-37.42
CSCC[C@H](NC(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020163999	1	36	-1.0	-42.56	342.71	5.15	-37.41
CSCC[C@H](NC(=O)CCCC1=CSC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020164000	0	45	-1.0	-49.03	401.41	7.70	-41.33
CSCC[C@H](NC(=O)CCCC1=CSC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020164000	1	45	-1.0	-49.06	401.46	7.71	-41.35
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=NN=N[N-]1	REAL300020164001	0	43	-1.0	-42.96	394.52	5.92	-37.04
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NN1C)C1=N[N-]N=N1	REAL300020164001	1	43	-1.0	-42.98	394.46	5.90	-37.08
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC=N1)C1=N[N-]N=N1	REAL300020164002	0	41	-1.0	-52.51	374.96	4.15	-48.36
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC=N1)C1=NN=N[N-]1	REAL300020164002	1	41	-1.0	-52.51	375.02	4.17	-48.34
CSCC[C@H](NC(=O)CCCOC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300020164003	0	49	-1.0	-49.11	415.00	6.58	-42.53
CSCC[C@H](NC(=O)CCCOC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300020164003	1	49	-1.0	-49.08	415.06	6.59	-42.49
CSCC[C@H](NC(=O)C1CC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164004	0	43	-1.0	-46.54	369.87	7.01	-39.53
CSCC[C@H](NC(=O)C1CC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164004	1	43	-1.0	-46.58	369.93	7.03	-39.55
CSCC[C@H](NC(=O)CC1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300020164005	0	36	-1.0	-46.81	333.87	4.86	-41.95
CSCC[C@H](NC(=O)CC1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL300020164005	1	36	-1.0	-46.81	333.93	4.88	-41.93
CSCC[C@H](NC(=O)CCOC(C)CC(C)C)C1=N[N-]N=N1	REAL300020164006	0	48	-1.0	-44.26	397.42	4.71	-39.55
CSCC[C@H](NC(=O)CCOC(C)CC(C)C)C1=NN=N[N-]1	REAL300020164006	1	48	-1.0	-44.20	397.47	4.72	-39.48
CSCC[C@H](NC(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=N[N-]N=N1	REAL300020164007	0	39	-1.0	-45.69	387.45	6.44	-39.25
CSCC[C@H](NC(=O)CCCC1=C(Cl)SC(Cl)=C1)C1=NN=N[N-]1	REAL300020164007	1	39	-1.0	-45.70	387.51	6.45	-39.25
CCN(CC)C(=O)CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164008	0	45	-1.0	-45.93	381.30	3.97	-41.96
CCN(CC)C(=O)CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164008	1	45	-1.0	-45.91	381.36	3.99	-41.92
CSCC[C@H](NC(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020164009	0	37	-1.0	-45.61	343.51	3.89	-41.72
CSCC[C@H](NC(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020164009	1	37	-1.0	-45.62	343.57	3.91	-41.71
CSCC[C@H](NC(=O)C1=CC(C)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020164010	0	36	-1.0	-44.24	335.67	5.25	-38.99
CSCC[C@H](NC(=O)C1=CC(C)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020164010	1	36	-1.0	-44.27	335.73	5.27	-39.00
CSCC[C@H](NC(=O)CCSC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020164011	0	39	-1.0	-49.73	360.49	4.45	-45.28
CSCC[C@H](NC(=O)CCSC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020164011	1	39	-1.0	-49.76	360.43	4.44	-45.32
CSCC[C@H](NC(=O)C(C)NS(=O)(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020164012	0	44	-1.0	-53.33	399.90	-1.13	-54.46
CSCC[C@H](NC(=O)C(C)NS(=O)(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020164012	1	44	-1.0	-53.31	399.84	-1.15	-54.46
CSCC[C@H](NC(=O)C1=CC=C(Br)C(Cl)=C1)C1=N[N-]N=N1	REAL300020164013	0	33	-1.0	-43.84	333.62	5.15	-38.69
CSCC[C@H](NC(=O)C1=CC=C(Br)C(Cl)=C1)C1=NN=N[N-]1	REAL300020164013	1	33	-1.0	-43.85	333.68	5.16	-38.69
CSCC[C@H](NC(=O)C1=CC=NC=C1Br)C1=NN=N[N-]1	REAL300020164014	0	32	-1.0	-44.92	309.25	2.95	-41.97
CSCC[C@H](NC(=O)C1=CC=NC=C1Br)C1=N[N-]N=N1	REAL300020164014	1	32	-1.0	-44.94	309.19	2.94	-42.00
COC1=C(S(N)(=O)=O)SC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164015	0	39	-1.0	-48.77	375.16	-2.10	-50.87
COC1=C(S(N)(=O)=O)SC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164015	1	39	-1.0	-48.79	375.22	-2.09	-50.88
CSCC[C@H](NC(=O)C1=C(C)NC(=O)N=C1SC)C1=N[N-]N=N1	REAL300020164016	0	39	-1.0	-52.17	362.75	0.56	-51.61
CSCC[C@H](NC(=O)C1=C(C)NC(=O)N=C1SC)C1=NN=N[N-]1	REAL300020164016	1	39	-1.0	-52.20	362.80	0.58	-51.62
CSCC[C@H](NC(=O)C1=C(C[NH+](C)C)C=CS1)C1=N[N-]N=N1	REAL300020164017	0	42	0.0	-50.51	362.78	5.14	-45.37
CSCC[C@H](NC(=O)C1=C(C[NH+](C)C)C=CS1)C1=NN=N[N-]1	REAL300020164017	1	42	0.0	-50.51	362.84	5.15	-45.36
CSCC[C@H](NC(=O)C1=C(CN(C)C)C=CS1)C1=N[N-]N=N1	REAL300020164017	1	41	-1.0	-45.85	363.38	2.89	-42.96
CSCC[C@H](NC(=O)C1=C(CN(C)C)C=CS1)C1=NN=N[N-]1	REAL300020164017	1	41	-1.0	-45.81	363.44	2.90	-42.91
COC1=CC=C2OCC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC2=C1	REAL300020164018	0	43	-1.0	-47.28	372.86	3.88	-43.40
COC1=CC=C2OCC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC2=C1	REAL300020164018	1	43	-1.0	-47.30	372.91	3.89	-43.41
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2F)=NN1)C1=N[N-]N=N1	REAL300020164019	0	40	-1.0	-46.69	363.48	4.26	-42.43
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2F)=NN1)C1=NN=N[N-]1	REAL300020164019	1	40	-1.0	-46.74	363.54	4.28	-42.46
CSCC[C@H](NC(=O)C12CC3CC(CC(F)(C3)C1)C2)C1=N[N-]N=N1	REAL300020164020	0	47	-1.0	-48.81	368.47	6.04	-42.77
CSCC[C@H](NC(=O)C12CC3CC(CC(F)(C3)C1)C2)C1=NN=N[N-]1	REAL300020164020	1	47	-1.0	-48.78	368.53	6.05	-42.73
CSCC[C@H](NC(=O)C(=O)NC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL300020164021	0	43	-1.0	-42.66	372.86	4.01	-38.65
CSCC[C@H](NC(=O)C(=O)NC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL300020164021	1	43	-1.0	-42.66	372.92	4.02	-38.64
CSCC[C@H](NC(=O)C1=NN(C2CCCC2)C=C1)C1=NN=N[N-]1	REAL300020164022	0	43	-1.0	-48.49	365.98	4.53	-43.96
CSCC[C@H](NC(=O)C1=NN(C2CCCC2)C=C1)C1=N[N-]N=N1	REAL300020164022	1	43	-1.0	-48.50	365.92	4.52	-43.98
CSCC[C@H](NC(=O)C1=C(CC(C)C)N=C(C)S1)C1=N[N-]N=N1	REAL300020164023	0	44	-1.0	-44.33	376.15	4.44	-39.89
CSCC[C@H](NC(=O)C1=C(CC(C)C)N=C(C)S1)C1=NN=N[N-]1	REAL300020164023	1	44	-1.0	-44.31	376.20	4.45	-39.86
CSCC[C@H](NC(=O)C1(CC(C)C)CCCC1)C1=N[N-]N=N1	REAL300020164024	0	48	-1.0	-47.15	375.09	5.89	-41.26
CSCC[C@H](NC(=O)C1(CC(C)C)CCCC1)C1=NN=N[N-]1	REAL300020164024	1	48	-1.0	-47.15	375.15	5.91	-41.24
CSCC[C@H](NC(=O)C(CC(C)C)N1CCCCC1=O)C1=N[N-]N=N1	REAL300020164025	0	52	-1.0	-60.61	413.60	6.94	-53.67
CSCC[C@H](NC(=O)C(CC(C)C)N1CCCCC1=O)C1=NN=N[N-]1	REAL300020164025	1	52	-1.0	-60.59	413.66	6.95	-53.64
CSCC[C@H](NC(=O)C(C)CSC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020164026	0	43	-1.0	-44.39	386.16	6.67	-37.72
CSCC[C@H](NC(=O)C(C)CSC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020164026	1	43	-1.0	-44.35	386.22	6.69	-37.66
CCC1=NOC(CC)=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164027	0	44	-1.0	-47.76	381.74	5.04	-42.72
CCC1=NOC(CC)=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164027	1	44	-1.0	-47.77	381.80	5.05	-42.72
CSCC[C@H](NC(=O)C(C)(C)OC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020164028	0	44	-1.0	-48.69	378.57	5.91	-42.78
CSCC[C@H](NC(=O)C(C)(C)OC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020164028	1	44	-1.0	-48.68	378.63	5.92	-42.76
CSCC[C@H](NC(=O)CC1=C(C)SC(C)=N1)C1=N[N-]N=N1	REAL300020164029	0	38	-1.0	-51.39	347.63	3.12	-48.27
CSCC[C@H](NC(=O)CC1=C(C)SC(C)=N1)C1=NN=N[N-]1	REAL300020164029	1	38	-1.0	-51.41	347.69	3.14	-48.27
CSCC[C@H](NC(=O)CCC1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020164030	0	46	-1.0	-47.55	397.92	7.35	-40.20
CSCC[C@H](NC(=O)CCC1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020164030	1	46	-1.0	-47.51	397.97	7.36	-40.15
CSCC[C@H](NC(=O)CCC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL300020164031	0	44	-1.0	-46.98	379.45	5.41	-41.57
CSCC[C@H](NC(=O)CCC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL300020164031	1	44	-1.0	-47.04	379.51	5.43	-41.61
CCCCCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)C	REAL300020164032	0	50	-1.0	-44.95	394.29	6.69	-38.26
CCCCCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)C	REAL300020164032	1	50	-1.0	-44.97	394.35	6.71	-38.26
COC1=C(F)C=CC(F)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164033	0	37	-1.0	-49.42	346.04	3.66	-45.76
COC1=C(F)C=CC(F)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164033	1	37	-1.0	-49.39	346.10	3.68	-45.71
CSCC[C@H](NC(=O)CN1C=C(C(C)O)N=N1)C1=N[N-]N=N1	REAL300020164034	0	39	-1.0	-54.23	349.55	-1.09	-55.32
CSCC[C@H](NC(=O)CN1C=C(C(C)O)N=N1)C1=NN=N[N-]1	REAL300020164034	1	39	-1.0	-54.25	349.61	-1.07	-55.32
CSCC[C@H](NC(=O)C1=CC=NN1C1CCCC1)C1=NN=N[N-]1	REAL300020164035	0	43	-1.0	-44.96	362.60	4.74	-40.22
CSCC[C@H](NC(=O)C1=CC=NN1C1CCCC1)C1=N[N-]N=N1	REAL300020164035	1	43	-1.0	-44.92	362.55	4.72	-40.20
CSCC[C@H](NC(=O)C1=CC=NN1C(C)C)C1=NN=N[N-]1	REAL300020164036	0	39	-1.0	-44.92	339.68	3.41	-41.51
CSCC[C@H](NC(=O)C1=CC=NN1C(C)C)C1=N[N-]N=N1	REAL300020164036	1	39	-1.0	-44.90	339.62	3.39	-41.51
COC1=CC=C(C(C)(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020164037	0	46	-1.0	-47.37	382.66	4.98	-42.39
COC1=CC=C(C(C)(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020164037	1	46	-1.0	-47.42	382.71	4.99	-42.43
CCOCCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCC1	REAL300020164038	0	49	-1.0	-45.92	396.60	4.84	-41.08
CCOCCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCC1	REAL300020164038	1	49	-1.0	-45.90	396.66	4.86	-41.04
CSCC[C@H](NC(=O)C1=CN=CC(OCC(F)F)=C1)C1=NN=N[N-]1	REAL300020164039	0	39	-1.0	-51.69	357.01	2.83	-48.86
CSCC[C@H](NC(=O)C1=CN=CC(OCC(F)F)=C1)C1=N[N-]N=N1	REAL300020164039	1	39	-1.0	-51.69	356.95	2.81	-48.88
CSCC[C@H](NC(=O)C(C)(C)CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020164040	0	45	-1.0	-44.02	389.89	6.91	-37.11
CSCC[C@H](NC(=O)C(C)(C)CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020164040	1	45	-1.0	-44.05	389.95	6.92	-37.13
CSCC[C@H](NC(=O)C1=CC(S(=O)(=O)N(C)C)=C(C)O1)C1=N[N-]N=N1	REAL300020164041	0	44	-1.0	-50.85	392.69	0.72	-50.13
CSCC[C@H](NC(=O)C1=CC(S(=O)(=O)N(C)C)=C(C)O1)C1=NN=N[N-]1	REAL300020164041	1	44	-1.0	-50.86	392.74	0.73	-50.13
CCC1=NC(C2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2)=NN1	REAL300020164042	0	45	-1.0	-50.02	396.00	5.45	-44.57
CCC1=NC(C2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2)=NN1	REAL300020164042	1	45	-1.0	-50.03	396.06	5.46	-44.57
COC(=O)C1=C(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C)N1	REAL300020164043	0	43	-1.0	-46.02	382.13	3.50	-42.52
COC(=O)C1=C(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C)N1	REAL300020164043	1	43	-1.0	-45.99	382.18	3.51	-42.48
CSCC[C@H](NC(=O)CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL300020164044	0	37	-1.0	-48.66	333.18	1.91	-46.75
CSCC[C@H](NC(=O)CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL300020164044	1	37	-1.0	-48.65	333.23	1.92	-46.73
CSCC[C@H](NC(=O)C1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL300020164045	0	39	-1.0	-47.73	340.27	5.00	-42.73
CSCC[C@H](NC(=O)C1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL300020164045	1	39	-1.0	-47.69	340.32	5.01	-42.68
CSCC[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1=NN=N[N-]1	REAL300020164046	0	45	0.0	-55.91	360.75	5.01	-50.90
CSCC[C@H](NC(=O)CN1CCC(C)CC1)C1=N[N-]N=N1	REAL300020164046	1	44	-1.0	-46.19	358.86	2.82	-43.37
CSCC[C@H](NC(=O)CN1CCC(C)CC1)C1=NN=N[N-]1	REAL300020164046	1	44	-1.0	-46.16	358.92	2.84	-43.32
CSCC[C@H](NC(=O)C#CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020164047	0	38	-1.0	-45.84	355.41	4.13	-41.71
CSCC[C@H](NC(=O)C#CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020164047	1	38	-1.0	-45.87	355.47	4.14	-41.73
CSCC[C@H](NC(=O)C=CC1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL300020164048	0	41	-1.0	-49.22	364.88	2.60	-46.62
CSCC[C@H](NC(=O)C=CC1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL300020164048	1	41	-1.0	-49.20	364.94	2.61	-46.59
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C1=N[N-]N=N1	REAL300020164049	0	48	-1.0	-54.45	400.32	2.90	-51.55
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C1=NN=N[N-]1	REAL300020164049	1	48	-1.0	-54.39	400.38	2.92	-51.47
CSCC[C@H](NC(=O)C1CCC(C)(C)CC1)C1=N[N-]N=N1	REAL300020164050	0	45	-1.0	-44.82	357.30	5.22	-39.60
CSCC[C@H](NC(=O)C1CCC(C)(C)CC1)C1=NN=N[N-]1	REAL300020164050	1	45	-1.0	-44.83	357.35	5.23	-39.60
COC(=O)C(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164051	0	38	-1.0	-43.95	334.08	3.16	-40.79
COC(=O)C(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164051	1	38	-1.0	-43.94	334.14	3.17	-40.77
CSCC[C@H](NC(=O)C1=C(C)OCCS1(=O)=O)C1=N[N-]N=N1	REAL300020164052	0	38	-1.0	-57.18	337.74	-0.37	-57.55
CSCC[C@H](NC(=O)C1=C(C)OCCS1(=O)=O)C1=NN=N[N-]1	REAL300020164052	1	38	-1.0	-57.18	337.79	-0.35	-57.53
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=C(C)C=C2)=C1)C1=NN=N[N-]1	REAL300020164053	0	45	-1.0	-46.66	388.36	6.40	-40.26
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=C(C)C=C2)=C1)C1=N[N-]N=N1	REAL300020164053	1	45	-1.0	-46.65	388.31	6.38	-40.27
COC1=CC=C(C2=CN=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C2)C=C1	REAL300020164054	0	46	-1.0	-46.99	396.41	5.02	-41.97
COC1=CC=C(C2=CN=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C2)C=C1	REAL300020164054	1	46	-1.0	-46.98	396.36	5.00	-41.98
CCC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164055	0	39	-1.0	-46.15	332.20	5.49	-40.66
CCC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164055	1	39	-1.0	-46.15	332.26	5.51	-40.64
CSCC[C@H](NC(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020164056	0	43	-1.0	-51.46	393.09	5.45	-46.01
CSCC[C@H](NC(=O)CC1=CC=CC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020164056	1	43	-1.0	-51.54	393.15	5.47	-46.07
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020164057	0	42	-1.0	-46.66	366.96	5.72	-40.94
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020164057	1	42	-1.0	-46.65	366.91	5.71	-40.94
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300020164058	0	42	-1.0	-45.61	383.69	6.24	-39.37
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300020164058	1	42	-1.0	-45.59	383.63	6.23	-39.36
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020164059	0	35	-1.0	-59.55	330.63	5.49	-54.06
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020164059	1	35	-1.0	-59.53	330.68	5.51	-54.02
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=NN=N[N-]1	REAL300020164060	0	47	-1.0	-48.06	402.89	5.58	-42.48
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)C1=N[N-]N=N1	REAL300020164060	1	47	-1.0	-48.04	402.84	5.56	-42.48
COC1=CC=C(F)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1F	REAL300020164061	0	37	-1.0	-52.28	343.09	3.33	-48.95
COC1=CC=C(F)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1F	REAL300020164061	1	37	-1.0	-52.24	343.15	3.35	-48.89
CCC(CC)N1N=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164062	0	45	-1.0	-45.15	378.89	4.91	-40.24
CCC(CC)N1N=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164062	1	45	-1.0	-45.16	378.83	4.89	-40.27
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2)CCC1)C1=N[N-]N=N1	REAL300020164063	0	46	-1.0	-48.08	383.52	6.93	-41.15
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2)CCC1)C1=NN=N[N-]1	REAL300020164063	1	46	-1.0	-48.04	383.58	6.94	-41.10
CSCC[C@H](NC(=O)C1CCCC2=NNC=C21)C1=N[N-]N=N1	REAL300020164064	0	40	-1.0	-45.76	334.41	2.94	-42.82
CSCC[C@H](NC(=O)C1CCCC2=NNC=C21)C1=NN=N[N-]1	REAL300020164064	1	40	-1.0	-45.80	334.47	2.96	-42.84
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020164065	0	36	-1.0	-43.08	338.72	2.90	-40.18
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020164065	1	36	-1.0	-43.06	338.78	2.92	-40.14
CSCC[C@H](NC(=O)C1=CC(F)=C(C)C=C1F)C1=N[N-]N=N1	REAL300020164066	0	36	-1.0	-47.06	328.76	4.86	-42.20
CSCC[C@H](NC(=O)C1=CC(F)=C(C)C=C1F)C1=NN=N[N-]1	REAL300020164066	1	36	-1.0	-47.07	328.82	4.88	-42.19
CCOCCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCC1	REAL300020164067	0	46	-1.0	-48.06	382.40	4.24	-43.82
CCOCCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCC1	REAL300020164067	1	46	-1.0	-48.10	382.46	4.26	-43.84
CCCOC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164068	0	46	-1.0	-50.21	395.01	5.79	-44.42
CCCOC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164068	1	46	-1.0	-50.21	395.07	5.80	-44.41
CSCC[C@H](NC(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020164069	0	40	-1.0	-51.59	368.44	4.79	-46.80
CSCC[C@H](NC(=O)C1=CC=CC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020164069	1	40	-1.0	-51.63	368.50	4.80	-46.83
COCCCS(=O)(=O)NCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164070	0	44	-1.0	-57.54	395.28	-1.97	-59.51
COCCCS(=O)(=O)NCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164070	1	44	-1.0	-57.59	395.33	-1.95	-59.54
CCC(CC)N1C=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020164071	0	45	-1.0	-49.40	380.33	4.60	-44.80
CCC(CC)N1C=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020164071	1	45	-1.0	-49.42	380.27	4.58	-44.84
CSCC[C@H](NC(=O)C1=CC=CC2=NC=CN21)C1=N[N-]N=N1	REAL300020164072	0	36	-1.0	-49.86	320.67	4.48	-45.38
CSCC[C@H](NC(=O)C1=CC=CC2=NC=CN21)C1=NN=N[N-]1	REAL300020164072	1	36	-1.0	-49.86	320.73	4.49	-45.37
CSCC[C@H](NC(=O)CCCC(=O)NC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL300020164073	0	47	-1.0	-55.41	417.05	5.06	-50.35
CSCC[C@H](NC(=O)CCCC(=O)NC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL300020164073	1	47	-1.0	-55.43	417.11	5.07	-50.36
CSCC[C@H](NC(=O)C(NS(C)(=O)=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020164074	0	46	-1.0	-49.02	383.50	0.63	-48.39
CSCC[C@H](NC(=O)C(NS(C)(=O)=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020164074	1	46	-1.0	-49.04	383.57	0.64	-48.40
CSCC[C@H](NC(=O)C1=CC=C(SC2CCOC2=O)C=C1)C1=N[N-]N=N1	REAL300020164075	0	44	-1.0	-54.18	390.00	6.25	-47.93
CSCC[C@H](NC(=O)C1=CC=C(SC2CCOC2=O)C=C1)C1=NN=N[N-]1	REAL300020164075	1	44	-1.0	-54.20	390.06	6.26	-47.94
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC=N1)C1=NN=N[N-]1	REAL300020164076	0	35	-1.0	-48.06	325.62	3.77	-44.29
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC=N1)C1=N[N-]N=N1	REAL300020164076	1	35	-1.0	-48.06	325.56	3.76	-44.30
COC1=CC=C(C(C)(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020164077	0	50	-1.0	-49.83	411.50	4.90	-44.93
COC1=CC=C(C(C)(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020164077	1	50	-1.0	-49.81	411.56	4.91	-44.90
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=CC(C)=C2)=C1)C1=NN=N[N-]1	REAL300020164078	0	45	-1.0	-46.41	388.37	6.40	-40.01
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=CC(C)=C2)=C1)C1=N[N-]N=N1	REAL300020164078	1	45	-1.0	-46.39	388.31	6.37	-40.02
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020164079	0	39	-1.0	-48.42	356.81	4.78	-43.64
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020164079	1	39	-1.0	-48.40	356.87	4.80	-43.60
CSCC[C@H](NC(=O)C1=CC=CC(C2(C)NC(=O)NC2=O)=C1)C1=N[N-]N=N1	REAL300020164080	0	45	-1.0	-51.87	393.63	1.12	-50.75
CSCC[C@H](NC(=O)C1=CC=CC(C2(C)NC(=O)NC2=O)=C1)C1=NN=N[N-]1	REAL300020164080	1	45	-1.0	-51.90	393.68	1.14	-50.76
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C1=N[N-]N=N1	REAL300020164081	0	44	-1.0	-47.16	380.79	3.59	-43.57
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C1=NN=N[N-]1	REAL300020164081	1	44	-1.0	-47.17	380.85	3.61	-43.56
CSCC[C@H](NC(=O)C1=C(F)C=CC(OC(F)F)=C1F)C1=N[N-]N=N1	REAL300020164082	0	37	-1.0	-50.16	352.85	3.61	-46.55
CSCC[C@H](NC(=O)C1=C(F)C=CC(OC(F)F)=C1F)C1=NN=N[N-]1	REAL300020164082	1	37	-1.0	-50.16	352.90	3.63	-46.53
CSCC[C@H](NC(=O)C1=CC=NC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300020164083	0	42	-1.0	-47.07	366.96	2.69	-44.38
CSCC[C@H](NC(=O)C1=CC=NC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300020164083	1	42	-1.0	-47.01	366.91	2.67	-44.34
CSCC[C@H](NC(=O)CSC1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020164084	0	40	-1.0	-47.30	370.12	4.17	-43.13
CSCC[C@H](NC(=O)CSC1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020164084	1	40	-1.0	-47.27	370.18	4.18	-43.09
CSCC[C@H](NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020164085	0	35	-2.0	-85.04	333.17	2.64	-82.40
CSCC[C@H](NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020164085	1	35	-2.0	-85.02	333.23	2.66	-82.36
CSCC[C@H](NC(=O)C1=CC(O)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020164085	1	36	-1.0	-47.32	336.74	1.88	-45.44
CSCC[C@H](NC(=O)C1=CC(O)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020164085	1	36	-1.0	-47.34	336.80	1.90	-45.44
CSCC[C@H](NC(=O)C1=NC=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL300020164086	0	33	-1.0	-44.36	328.16	3.29	-41.07
CSCC[C@H](NC(=O)C1=NC=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL300020164086	1	33	-1.0	-44.35	328.10	3.28	-41.07
CSCC[C@H](NC(=O)C1=C(C)C=CC=C1F)C1=N[N-]N=N1	REAL300020164087	0	36	-1.0	-52.93	327.04	4.52	-48.41
CSCC[C@H](NC(=O)C1=C(C)C=CC=C1F)C1=NN=N[N-]1	REAL300020164087	1	36	-1.0	-52.92	327.10	4.53	-48.39
CNC(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020164088	0	39	-1.0	-45.58	353.69	0.69	-44.89
CNC(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020164088	1	39	-1.0	-45.58	353.63	0.68	-44.90
CSCC[C@H](NC(=O)CC1=CC=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300020164089	0	39	-1.0	-48.94	357.80	5.86	-43.08
CSCC[C@H](NC(=O)CC1=CC=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300020164089	1	39	-1.0	-48.94	357.86	5.88	-43.06
CCCN1N=C(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020164090	0	45	-1.0	-45.84	388.28	4.44	-41.40
CCCN1N=C(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020164090	1	45	-1.0	-45.82	388.33	4.46	-41.36
CSCC[C@H](NC(=O)C1=CC=NC(Br)=C1)C1=NN=N[N-]1	REAL300020164091	0	32	-1.0	-42.59	314.24	2.83	-39.76
CSCC[C@H](NC(=O)C1=CC=NC(Br)=C1)C1=N[N-]N=N1	REAL300020164091	1	32	-1.0	-42.62	314.18	2.81	-39.81
CSCC[C@H](NC(=O)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020164092	0	33	-1.0	-44.22	320.10	4.65	-39.57
CSCC[C@H](NC(=O)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020164092	1	33	-1.0	-44.21	320.16	4.66	-39.55
CSCC[C@H](NC(=O)C1(C2=C(Cl)C=CC=C2Cl)CC1)C1=N[N-]N=N1	REAL300020164093	0	40	-1.0	-46.89	376.08	6.74	-40.15
CSCC[C@H](NC(=O)C1(C2=C(Cl)C=CC=C2Cl)CC1)C1=NN=N[N-]1	REAL300020164093	1	40	-1.0	-46.89	376.13	6.75	-40.14
CSCC[C@H](NC(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=NN=N[N-]1	REAL300020164094	0	42	-1.0	-49.29	386.55	4.33	-44.96
CSCC[C@H](NC(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1)C1=N[N-]N=N1	REAL300020164094	1	42	-1.0	-49.30	386.49	4.32	-44.98
CSCC[C@H](NC(=O)C1=CNC(=O)C=C1C)C1=N[N-]N=N1	REAL300020164095	0	36	-1.0	-49.10	318.80	1.71	-47.39
CSCC[C@H](NC(=O)C1=CNC(=O)C=C1C)C1=NN=N[N-]1	REAL300020164095	1	36	-1.0	-49.09	318.86	1.72	-47.37
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020164096	0	36	-1.0	-47.49	334.08	5.18	-42.31
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020164096	1	36	-1.0	-47.49	334.13	5.20	-42.29
CSCC[C@H](NC(=O)C1=CC(NC(C)=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300020164097	0	40	-1.0	-49.54	365.84	3.50	-46.04
CSCC[C@H](NC(=O)C1=CC(NC(C)=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300020164097	1	40	-1.0	-49.51	365.90	3.52	-45.99
CSCC[C@H](NC(=O)C1=CC=C(NC(C)=O)C=C1Cl)C1=N[N-]N=N1	REAL300020164098	0	40	-1.0	-50.72	366.29	3.51	-47.21
CSCC[C@H](NC(=O)C1=CC=C(NC(C)=O)C=C1Cl)C1=NN=N[N-]1	REAL300020164098	1	40	-1.0	-50.68	366.35	3.53	-47.15
CSCC[C@H](NC(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1=N[N-]N=N1	REAL300020164099	0	41	-1.0	-52.19	361.82	3.36	-48.83
CSCC[C@H](NC(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1=NN=N[N-]1	REAL300020164099	1	41	-1.0	-52.18	361.87	3.38	-48.80
CSCC[C@H](NC(=O)CCC1=NC(C2CCCC2)=NO1)C1=N[N-]N=N1	REAL300020164100	0	47	-1.0	-44.94	400.47	3.44	-41.50
CSCC[C@H](NC(=O)CCC1=NC(C2CCCC2)=NO1)C1=NN=N[N-]1	REAL300020164100	1	47	-1.0	-44.94	400.53	3.46	-41.48
CSCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1=NN=N[N-]1	REAL300020164101	0	44	0.0	-59.31	346.75	4.64	-54.67
CCCC(O)(CCC)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164102	0	48	-1.0	-47.80	383.48	3.71	-44.09
CCCC(O)(CCC)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164102	1	48	-1.0	-47.83	383.53	3.73	-44.10
CSCC[C@H](NC(=O)CSC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL300020164103	0	38	-1.0	-47.38	351.69	2.35	-45.03
CSCC[C@H](NC(=O)CSC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL300020164103	1	38	-1.0	-47.38	351.74	2.37	-45.01
CSCC[C@H](NC(=O)C1=CC=CC(C(C)C)=N1)C1=N[N-]N=N1	REAL300020164104	0	41	-1.0	-47.47	354.88	4.19	-43.28
CSCC[C@H](NC(=O)C1=CC=CC(C(C)C)=N1)C1=NN=N[N-]1	REAL300020164104	1	41	-1.0	-47.46	354.93	4.20	-43.26
CSCC[C@H](NC(=O)CN1C=NC(C#N)=N1)C1=NN=N[N-]1	REAL300020164105	0	33	-1.0	-53.53	318.53	3.06	-50.47
CSCC[C@H](NC(=O)CN1C=NC(C#N)=N1)C1=N[N-]N=N1	REAL300020164105	1	33	-1.0	-53.54	318.48	3.04	-50.50
CSCC[C@H](NC(=O)CC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL300020164106	0	36	-1.0	-43.70	342.40	5.24	-38.46
CSCC[C@H](NC(=O)CC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL300020164106	1	36	-1.0	-43.72	342.46	5.25	-38.47
CCOCCS(=O)(=O)NCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164107	0	44	-1.0	-54.05	395.63	-1.79	-55.84
CCOCCS(=O)(=O)NCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164107	1	44	-1.0	-54.04	395.69	-1.78	-55.82
CCC1=NNC(=O)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1CC	REAL300020164108	0	44	-1.0	-48.60	369.22	2.68	-45.92
CCC1=NNC(=O)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1CC	REAL300020164108	1	44	-1.0	-48.59	369.28	2.69	-45.90
CSCC[C@H](NC(=O)C1=CN=C(C2CC2)N1)C1=N[N-]N=N1	REAL300020164109	0	37	-1.0	-46.14	331.55	3.01	-43.13
CSCC[C@H](NC(=O)C1=CN=C(C2CC2)N1)C1=NN=N[N-]1	REAL300020164109	1	37	-1.0	-46.16	331.61	3.02	-43.14
CSCC[C@H](NC(=O)CC1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL300020164110	0	36	-1.0	-47.46	340.31	4.90	-42.56
CSCC[C@H](NC(=O)CC1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL300020164110	1	36	-1.0	-47.48	340.37	4.92	-42.56
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300020164111	0	36	-1.0	-44.21	332.94	5.17	-39.04
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300020164111	1	36	-1.0	-44.21	333.00	5.19	-39.02
COC1=CC=CC(OC)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164112	0	41	-1.0	-55.28	359.66	2.63	-52.65
COC1=CC=CC(OC)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164112	1	41	-1.0	-55.27	359.72	2.64	-52.63
CSCC[C@H](NC(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300020164113	0	39	-1.0	-43.88	362.63	5.20	-38.68
CSCC[C@H](NC(=O)C1=NOC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300020164113	1	39	-1.0	-43.84	362.57	5.18	-38.66
CSCC[C@H](NC(=O)C1=CC=CC=C1COC1CCOCC1)C1=N[N-]N=N1	REAL300020164114	0	51	-1.0	-46.65	420.35	5.26	-41.39
CSCC[C@H](NC(=O)C1=CC=CC=C1COC1CCOCC1)C1=NN=N[N-]1	REAL300020164114	1	51	-1.0	-46.66	420.41	5.27	-41.39
COC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020164115	0	44	-1.0	-49.85	380.63	4.69	-45.16
COC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020164115	1	44	-1.0	-49.86	380.69	4.70	-45.16
CSCC[C@H](NC(=O)C1=CNN=C1C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020164116	0	40	-1.0	-53.64	367.44	4.13	-49.51
CSCC[C@H](NC(=O)C1=CNN=C1C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020164116	1	40	-1.0	-53.61	367.50	4.14	-49.47
CSCC[C@H](NC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164117	0	47	-1.0	-50.25	397.72	5.17	-45.08
CSCC[C@H](NC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164117	1	47	-1.0	-50.29	397.78	5.18	-45.11
CSCC[C@H](NC(=O)C(C)(O)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020164118	0	43	-1.0	-42.79	384.16	3.32	-39.47
CSCC[C@H](NC(=O)C(C)(O)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020164118	1	43	-1.0	-42.77	384.22	3.34	-39.43
CSCC[C@H](NC(=O)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020164119	0	53	0.0	-56.97	426.04	4.85	-52.12
CSCC[C@H](NC(=O)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020164119	1	53	0.0	-62.04	422.42	4.47	-57.57
CSCC[C@H](NC(=O)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020164119	1	53	0.0	-56.96	425.98	4.84	-52.12
CSCC[C@H](NC(=O)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020164119	1	53	0.0	-62.02	422.37	4.46	-57.56
CSCC[C@H](NC(=O)CC1CCSCC1)C1=N[N-]N=N1	REAL300020164120	0	40	-1.0	-44.67	341.86	4.72	-39.95
CSCC[C@H](NC(=O)CC1CCSCC1)C1=NN=N[N-]1	REAL300020164120	1	40	-1.0	-44.72	341.92	4.73	-39.99
CCC(OC1CCCCC1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164121	0	49	-1.0	-48.86	392.86	6.06	-42.80
CCC(OC1CCCCC1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164121	1	49	-1.0	-48.91	392.92	6.08	-42.83
CCOC(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)C	REAL300020164122	0	45	-1.0	-45.60	371.06	4.52	-41.08
CCOC(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)C	REAL300020164122	1	45	-1.0	-45.57	371.12	4.53	-41.04
CSCC[C@H](NC(=O)CN1C=C(C2CC2)N=N1)C1=N[N-]N=N1	REAL300020164123	0	39	-1.0	-54.31	348.09	2.97	-51.34
CSCC[C@H](NC(=O)CN1C=C(C2CC2)N=N1)C1=NN=N[N-]1	REAL300020164123	1	39	-1.0	-54.34	348.14	2.98	-51.36
CSCC[C@H](NC(=O)CCCC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300020164124	0	42	-1.0	-48.12	386.35	6.96	-41.16
CSCC[C@H](NC(=O)CCCC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300020164124	1	42	-1.0	-48.12	386.41	6.98	-41.14
COCCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCC1	REAL300020164125	0	46	-1.0	-45.93	374.75	3.87	-42.06
COCCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCC1	REAL300020164125	1	46	-1.0	-45.91	374.80	3.89	-42.02
CCS(=O)(=O)NCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164126	0	37	-1.0	-55.86	340.11	-1.83	-57.69
CCS(=O)(=O)NCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164126	1	37	-1.0	-55.85	340.16	-1.82	-57.67
CSCC[C@H](NC(=O)C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020164127	0	42	-1.0	-47.87	388.86	-2.71	-50.58
CSCC[C@H](NC(=O)C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020164127	1	42	-1.0	-47.85	388.92	-2.69	-50.54
COC(=O)CC(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164128	0	38	-1.0	-43.63	332.95	3.10	-40.53
COC(=O)CC(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164128	1	38	-1.0	-43.61	333.01	3.11	-40.50
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1=N[N-]N=N1	REAL300020164129	0	55	-1.0	-41.62	431.29	4.12	-37.50
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1=NN=N[N-]1	REAL300020164129	1	55	-1.0	-41.63	431.36	4.14	-37.49
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020164130	0	55	-1.0	-42.87	441.18	4.15	-38.72
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020164130	1	55	-1.0	-42.93	441.23	4.16	-38.77
CSCC[C@H](NC(=O)CSC1=NC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020164131	0	42	-1.0	-48.60	382.13	5.88	-42.72
CSCC[C@H](NC(=O)CSC1=NC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020164131	1	42	-1.0	-48.60	382.07	5.86	-42.74
CSCC[C@H](NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300020164132	0	46	-2.0	-96.83	419.54	2.18	-94.65
CSCC[C@H](NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=NN=N[N-]1	REAL300020164132	1	46	-2.0	-96.84	419.60	2.20	-94.64
CSCC[C@H](NC(=O)CCC(=O)NC1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300020164132	1	47	-1.0	-52.16	422.84	3.31	-48.85
CSCC[C@H](NC(=O)C=CC1=NN=C(C(C)C)O1)C1=N[N-]N=N1	REAL300020164133	0	41	-1.0	-45.72	369.51	-0.25	-45.97
CSCC[C@H](NC(=O)C=CC1=NN=C(C(C)C)O1)C1=NN=N[N-]1	REAL300020164133	1	41	-1.0	-45.71	369.56	-0.24	-45.95
CSCC[C@H](NC(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL300020164134	0	51	-1.0	-46.40	421.61	5.75	-40.65
CSCC[C@H](NC(=O)CCC1=CC=CC(OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL300020164134	1	51	-1.0	-46.37	421.67	5.76	-40.61
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2)N=C1C(C)(C)C)C1=NN=N[N-]1	REAL300020164135	0	52	-1.0	-47.43	427.71	7.67	-39.76
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2)N=C1C(C)(C)C)C1=N[N-]N=N1	REAL300020164135	1	52	-1.0	-47.45	427.66	7.65	-39.80
CSCC[C@H](NC(=O)C1=C(Br)SC(C)=C1)C1=N[N-]N=N1	REAL300020164136	0	33	-1.0	-46.06	328.36	4.53	-41.53
CSCC[C@H](NC(=O)C1=C(Br)SC(C)=C1)C1=NN=N[N-]1	REAL300020164136	1	33	-1.0	-46.05	328.41	4.55	-41.50
CSCC[C@H](NC(=O)C1=CC(SC)=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020164137	0	37	-1.0	-43.53	365.19	6.07	-37.46
CSCC[C@H](NC(=O)C1=CC(SC)=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020164137	1	37	-1.0	-43.51	365.24	6.09	-37.42
CCC[C@@H](NC(N)=O)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164138	0	41	-1.0	-45.99	348.46	-1.32	-47.31
CCC[C@@H](NC(N)=O)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164138	1	41	-1.0	-46.02	348.51	-1.31	-47.33
CSCC[C@H](NC(=O)C1=CC=C2SC=CC2=C1)C1=N[N-]N=N1	REAL300020164139	0	36	-1.0	-46.22	334.38	5.45	-40.77
CSCC[C@H](NC(=O)C1=CC=C2SC=CC2=C1)C1=NN=N[N-]1	REAL300020164139	1	36	-1.0	-46.23	334.44	5.47	-40.76
CSCC[C@H](NC(=O)C(C)OC1CCCCCC1)C1=N[N-]N=N1	REAL300020164140	0	49	-1.0	-47.92	385.71	5.75	-42.17
CSCC[C@H](NC(=O)C(C)OC1CCCCCC1)C1=NN=N[N-]1	REAL300020164140	1	49	-1.0	-47.92	385.77	5.76	-42.16
CSCC[C@H](NC(=O)C1=CC=C(C2CC2)S1)C1=N[N-]N=N1	REAL300020164141	0	37	-1.0	-45.61	341.34	5.40	-40.21
CSCC[C@H](NC(=O)C1=CC=C(C2CC2)S1)C1=NN=N[N-]1	REAL300020164141	1	37	-1.0	-45.63	341.39	5.42	-40.21
CSCC[C@H](NC(=O)CCC1=NN=C(C2CCCC2)O1)C1=N[N-]N=N1	REAL300020164142	0	47	-1.0	-45.88	401.03	1.13	-44.75
CSCC[C@H](NC(=O)CCC1=NN=C(C2CCCC2)O1)C1=NN=N[N-]1	REAL300020164142	1	47	-1.0	-45.88	401.09	1.15	-44.73
CSCC[C@H](NC(=O)CCCOC1=CC=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300020164143	0	46	-1.0	-50.90	410.96	6.38	-44.52
CSCC[C@H](NC(=O)CCCOC1=CC=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300020164143	1	46	-1.0	-50.89	411.02	6.40	-44.49
CSCC[C@H](NC(=O)CCCC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300020164144	0	42	-1.0	-46.87	381.26	6.79	-40.08
CSCC[C@H](NC(=O)CCCC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300020164144	1	42	-1.0	-46.84	381.31	6.81	-40.03
CSCC[C@H](NC(=O)CC(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020164145	0	52	-1.0	-47.18	424.93	3.06	-44.12
CSCC[C@H](NC(=O)CC(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020164145	1	52	-1.0	-47.20	424.99	3.08	-44.12
CSCC[C@H](NC(=O)C1=CC(F)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020164146	0	33	-1.0	-42.55	320.68	4.67	-37.88
CSCC[C@H](NC(=O)C1=CC(F)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020164146	1	33	-1.0	-42.57	320.73	4.68	-37.89
CSCC[C@H](NC(=O)C1(CC(C)C)CCC1)C1=N[N-]N=N1	REAL300020164147	0	45	-1.0	-46.47	363.31	5.23	-41.24
CSCC[C@H](NC(=O)C1(CC(C)C)CCC1)C1=NN=N[N-]1	REAL300020164147	1	45	-1.0	-46.53	363.37	5.25	-41.28
CSCC[C@H](NC(=O)CC1=CN=C2NC=CC=C12)C1=N[N-]N=N1	REAL300020164148	0	39	-1.0	-63.73	348.48	4.06	-59.67
CSCC[C@H](NC(=O)CC1=CN=C2NC=CC=C12)C1=NN=N[N-]1	REAL300020164148	1	39	-1.0	-63.76	348.53	4.08	-59.68
COC1=CC=CC(OC)=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164149	0	44	-1.0	-50.64	378.47	3.50	-47.14
COC1=CC=CC(OC)=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164149	1	44	-1.0	-50.67	378.53	3.51	-47.16
CSCC[C@H](NC(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020164150	0	43	-1.0	-54.46	380.20	5.93	-48.53
CSCC[C@H](NC(=O)CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020164150	1	43	-1.0	-54.50	380.26	5.94	-48.56
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020164151	0	47	-1.0	-56.82	395.90	1.95	-54.87
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020164151	1	47	-1.0	-56.82	395.96	1.96	-54.86
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1Br)C1=N[N-]N=N1	REAL300020164152	0	33	-1.0	-44.25	330.52	5.22	-39.03
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1Br)C1=NN=N[N-]1	REAL300020164152	1	33	-1.0	-44.25	330.57	5.24	-39.01
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1F)C1=N[N-]N=N1	REAL300020164153	0	36	-1.0	-51.81	322.39	4.79	-47.02
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1F)C1=NN=N[N-]1	REAL300020164153	1	36	-1.0	-51.78	322.45	4.80	-46.98
CSCC[C@H](NC(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020164154	0	48	-1.0	-46.96	398.36	7.08	-39.88
CSCC[C@H](NC(=O)CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020164154	1	48	-1.0	-46.96	398.41	7.10	-39.86
CSCC[C@H](NC(=O)C1=CN=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300020164155	0	42	-1.0	-44.28	362.10	3.17	-41.11
CSCC[C@H](NC(=O)C1=CN=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300020164155	1	42	-1.0	-44.27	362.05	3.15	-41.12
CSCC[C@H](NC(=O)C(C)(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020164156	0	52	-1.0	-50.83	421.97	3.08	-47.75
CSCC[C@H](NC(=O)C(C)(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020164156	1	52	-1.0	-50.83	422.03	3.10	-47.73
CSCC[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)C1=N[N-]N=N1	REAL300020164157	0	56	-1.0	-48.84	447.95	4.05	-44.79
CSCC[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)C1=NN=N[N-]1	REAL300020164157	1	56	-1.0	-48.87	448.01	4.08	-44.79
CSCC[C@H](NC(=O)COC1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL300020164158	0	43	-1.0	-51.95	379.00	3.61	-48.34
CSCC[C@H](NC(=O)COC1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL300020164158	1	43	-1.0	-51.96	379.06	3.63	-48.33
CSCC[C@H](NC(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=N[N-]N=N1	REAL300020164159	0	38	-1.0	-47.18	353.50	5.35	-41.83
CSCC[C@H](NC(=O)C1=CN2C(=NN=C2C(F)F)C=C1)C1=NN=N[N-]1	REAL300020164159	1	38	-1.0	-47.20	353.56	5.37	-41.83
CSCC[C@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300020164160	0	46	-1.0	-54.82	392.68	-1.33	-56.15
CSCC[C@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300020164160	1	46	-1.0	-54.85	392.74	-1.32	-56.17
CSCC[C@H](NC(=O)C1=CN(C2=CC=CN=C2)N=C1)C1=N[N-]N=N1	REAL300020164161	0	39	-1.0	-47.99	353.50	3.45	-44.54
CSCC[C@H](NC(=O)C1=CN(C2=CC=CN=C2)N=C1)C1=NN=N[N-]1	REAL300020164161	1	39	-1.0	-48.04	353.56	3.47	-44.57
CSCC[C@H](NC(=O)CC1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=N[N-]N=N1	REAL300020164162	0	45	-1.0	-53.15	396.67	7.58	-45.57
CSCC[C@H](NC(=O)CC1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=NN=N[N-]1	REAL300020164162	1	45	-1.0	-53.14	396.72	7.60	-45.54
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020164163	0	48	-1.0	-52.47	407.18	6.81	-45.66
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020164163	1	48	-1.0	-52.46	407.24	6.82	-45.64
CSCC[C@H](NC(=O)CCCCCOC1CCCC(C)C1)C1=N[N-]N=N1	REAL300020164164	0	58	-1.0	-47.36	462.84	7.57	-39.79
CSCC[C@H](NC(=O)CCCCCOC1CCCC(C)C1)C1=NN=N[N-]1	REAL300020164164	1	58	-1.0	-47.34	462.89	7.58	-39.76
CSCC[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020164165	0	50	-1.0	-45.66	425.50	-0.61	-46.27
CSCC[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020164165	1	50	-1.0	-45.64	425.56	-0.59	-46.23
CSCC[C@H](NC(=O)C1=C(C)N(C2CCOCC2)N=C1)C1=N[N-]N=N1	REAL300020164166	0	47	-1.0	-47.42	393.08	3.35	-44.07
CSCC[C@H](NC(=O)C1=C(C)N(C2CCOCC2)N=C1)C1=NN=N[N-]1	REAL300020164166	1	47	-1.0	-47.41	393.14	3.36	-44.05
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1C)C1=NN=N[N-]1	REAL300020164167	0	43	-1.0	-52.90	389.75	6.63	-46.27
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2Cl)C=C1C)C1=N[N-]N=N1	REAL300020164167	1	43	-1.0	-52.91	389.70	6.62	-46.29
CCCN1N=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C1CC1	REAL300020164168	0	46	-1.0	-46.73	389.81	5.38	-41.35
CCCN1N=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C1CC1	REAL300020164168	1	46	-1.0	-46.73	389.87	5.39	-41.34
CSCC[C@H](NC(=O)C(O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164169	0	43	-1.0	-45.83	374.87	4.27	-41.56
CSCC[C@H](NC(=O)C(O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164169	1	43	-1.0	-45.84	374.93	4.29	-41.55
CSCCC(O)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164170	0	37	-1.0	-45.07	338.17	1.69	-43.38
CSCCC(O)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164170	1	37	-1.0	-45.07	338.22	1.70	-43.37
CSCC[C@H](NC(=O)[C@H](O)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020164171	0	37	-1.0	-47.07	337.07	3.42	-43.65
CSCC[C@H](NC(=O)[C@H](O)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020164171	1	37	-1.0	-47.05	337.13	3.43	-43.62
CSCC[C@H](NC(=O)[C@@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164172	0	37	-1.0	-45.91	330.25	2.80	-43.11
CSCC[C@H](NC(=O)[C@@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164172	1	37	-1.0	-45.90	330.31	2.81	-43.09
CSCC[C@H](NC(=O)[C@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164173	0	37	-1.0	-45.46	329.75	2.83	-42.63
CSCC[C@H](NC(=O)[C@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164173	1	37	-1.0	-45.51	329.80	2.85	-42.66
COC1=CC=CC(C(O)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164174	0	41	-1.0	-45.67	359.76	2.10	-43.57
COC1=CC=CC(C(O)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164174	1	41	-1.0	-45.66	359.82	2.11	-43.55
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300020164175	0	35	-1.0	-41.77	338.13	5.13	-36.64
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300020164175	1	35	-1.0	-41.75	338.19	5.14	-36.61
CSCC[C@H](NC(=O)C1=NNC(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300020164176	0	31	-2.0	-94.89	299.54	-3.60	-98.49
CSCC[C@H](NC(=O)C1=NNC(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300020164176	1	31	-2.0	-94.85	299.60	-3.59	-98.44
COC(=O)CC(C)(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164177	0	44	-1.0	-50.70	361.51	4.19	-46.51
COC(=O)CC(C)(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164177	1	44	-1.0	-50.74	361.57	4.20	-46.54
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL300020164178	0	39	-1.0	-55.42	345.88	5.45	-49.97
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL300020164178	1	39	-1.0	-55.40	345.82	5.43	-49.97
CCN1N=CC=C1C=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164179	0	40	-1.0	-46.45	356.45	3.79	-42.66
CCN1N=CC=C1C=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164179	1	40	-1.0	-46.42	356.51	3.80	-42.62
CSCC[C@H](NC(=O)C1=NC(Cl)=CC=C1F)C1=NN=N[N-]1	REAL300020164180	0	32	-1.0	-48.04	316.23	2.88	-45.16
CSCC[C@H](NC(=O)C1=NC(Cl)=CC=C1F)C1=N[N-]N=N1	REAL300020164180	1	32	-1.0	-48.03	316.17	2.86	-45.17
COC(=O)C1=CC=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164181	0	42	-1.0	-54.42	376.97	5.42	-49.00
COC(=O)C1=CC=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164181	1	42	-1.0	-54.43	377.03	5.43	-49.00
CSCC[C@H](NC(=O)C1=C(C)C=C(C)C=C1C)C1=N[N-]N=N1	REAL300020164182	0	42	-1.0	-47.64	361.66	5.67	-41.97
CSCC[C@H](NC(=O)C1=C(C)C=C(C)C=C1C)C1=NN=N[N-]1	REAL300020164182	1	42	-1.0	-47.63	361.71	5.69	-41.94
CSCC[C@H](NC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020164183	0	35	-1.0	-53.01	341.84	5.25	-47.76
CSCC[C@H](NC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020164183	1	35	-1.0	-52.95	341.90	5.27	-47.68
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C=NN1)C1=N[N-]N=N1	REAL300020164184	0	32	-1.0	-48.36	303.11	2.18	-46.18
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C=NN1)C1=NN=N[N-]1	REAL300020164184	1	32	-1.0	-48.37	303.17	2.19	-46.18
CSCC[C@H](NC(=O)C1=CC=NC(OC2CCC2)=C1)C1=NN=N[N-]1	REAL300020164185	0	43	-1.0	-47.14	373.08	3.33	-43.81
CSCC[C@H](NC(=O)C1=CC=NC(OC2CCC2)=C1)C1=N[N-]N=N1	REAL300020164185	1	43	-1.0	-47.13	373.02	3.32	-43.81
CSCC[C@H](NC(=O)C1=C(C)N(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300020164186	0	45	-1.0	-46.60	374.20	4.27	-42.33
CSCC[C@H](NC(=O)C1=C(C)N(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300020164186	1	45	-1.0	-46.60	374.26	4.29	-42.31
CSCC[C@H](NC(=O)C1=C(C)C=C(C)C([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020164187	0	44	-1.0	-50.18	388.77	6.57	-43.61
CSCC[C@H](NC(=O)C1=C(C)C=C(C)C([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020164187	1	44	-1.0	-50.20	388.83	6.58	-43.62
CSCC[C@H](NC(=O)C1=CC=C(F)C(SC)=C1)C1=N[N-]N=N1	REAL300020164188	0	37	-1.0	-44.47	343.46	5.14	-39.33
CSCC[C@H](NC(=O)C1=CC=C(F)C(SC)=C1)C1=NN=N[N-]1	REAL300020164188	1	37	-1.0	-44.50	343.52	5.15	-39.35
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1SCCO)C1=N[N-]N=N1	REAL300020164189	0	43	-1.0	-45.80	394.29	3.30	-42.50
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1SCCO)C1=NN=N[N-]1	REAL300020164189	1	43	-1.0	-45.83	394.35	3.31	-42.52
CSCC[C@H](NC(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020164190	0	37	-1.0	-44.37	363.73	3.82	-40.55
CSCC[C@H](NC(=O)C(O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020164190	1	37	-1.0	-44.43	363.78	3.83	-40.60
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1[O-])C1=N[N-]N=N1	REAL300020164191	0	33	-2.0	-108.08	323.22	4.26	-103.82
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1[O-])C1=NN=N[N-]1	REAL300020164191	1	33	-2.0	-108.07	323.28	4.27	-103.80
CSCC[C@H](NC(=O)C1=CC=C2N=CNC2=N1)C1=N[N-]N=N1	REAL300020164192	0	35	-1.0	-49.37	320.31	3.03	-46.34
CSCC[C@H](NC(=O)C1=CC=C2N=CNC2=N1)C1=NN=N[N-]1	REAL300020164192	1	35	-1.0	-49.39	320.36	3.05	-46.34
CSCC[C@H](NC(=O)C1=CC=C2N=CN=C2N1)C1=N[N-]N=N1	REAL300020164192	1	35	-1.0	-46.89	317.93	3.05	-43.84
CSCC[C@H](NC(=O)C1=CC=C2N=CN=C2N1)C1=NN=N[N-]1	REAL300020164192	1	35	-1.0	-46.93	317.99	3.07	-43.86
CSCC[C@H](NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300020164193	0	48	-1.0	-48.65	417.59	5.88	-42.77
CSCC[C@H](NC(=O)C1=CC(OCC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300020164193	1	48	-1.0	-48.62	417.65	5.89	-42.73
CSCC[C@H](NC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300020164194	0	45	-1.0	-46.98	395.08	5.46	-41.52
CSCC[C@H](NC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300020164194	1	45	-1.0	-46.95	395.14	5.48	-41.47
CSCC[C@H](NC(=O)C1=CC=C2N=S=NC2=C1)C1=N[N-]N=N1	REAL300020164195	0	34	-1.0	-47.24	321.63	2.43	-44.81
CSCC[C@H](NC(=O)C1=CC=C2N=S=NC2=C1)C1=NN=N[N-]1	REAL300020164195	1	34	-1.0	-47.23	321.69	2.44	-44.79
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)C=C1F)C1=N[N-]N=N1	REAL300020164196	0	38	-1.0	-52.89	356.26	-0.89	-53.78
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)C=C1F)C1=NN=N[N-]1	REAL300020164196	1	38	-1.0	-52.92	356.32	-0.88	-53.80
CSCC[C@H](NC(=O)C1=NOC(CN(C)C)=C1)C1=N[N-]N=N1	REAL300020164197	0	40	-1.0	-45.27	353.40	1.00	-44.27
CSCC[C@H](NC(=O)C1=NOC(CN(C)C)=C1)C1=NN=N[N-]1	REAL300020164197	1	40	-1.0	-45.24	353.45	1.01	-44.23
CSCC[C@H](NC(=O)CSCC(F)(F)F)C1=N[N-]N=N1	REAL300020164198	0	33	-1.0	-48.39	325.59	3.53	-44.86
CSCC[C@H](NC(=O)CSCC(F)(F)F)C1=NN=N[N-]1	REAL300020164198	1	33	-1.0	-48.41	325.65	3.55	-44.86
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=NN=N[N-]1	REAL300020164199	0	38	-1.0	-46.01	359.37	3.23	-42.78
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CN=C2)S1)C1=N[N-]N=N1	REAL300020164199	1	38	-1.0	-45.99	359.32	3.21	-42.78
CSCC[C@H](NC(=O)C1=NOC(C(C)C)=C1)C1=N[N-]N=N1	REAL300020164200	0	38	-1.0	-44.55	340.46	3.59	-40.96
CSCC[C@H](NC(=O)C1=NOC(C(C)C)=C1)C1=NN=N[N-]1	REAL300020164200	1	38	-1.0	-44.57	340.52	3.61	-40.96
CSCC[C@H](NC(=O)COC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300020164201	0	37	-1.0	-51.20	351.49	5.30	-45.90
CSCC[C@H](NC(=O)COC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300020164201	1	37	-1.0	-51.24	351.55	5.31	-45.93
CSCC[C@H](NC(=O)C(O)C(C)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020164202	0	46	-1.0	-45.66	384.72	4.92	-40.74
CSCC[C@H](NC(=O)C(O)C(C)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020164202	1	46	-1.0	-45.62	384.78	4.94	-40.68
CSCC[C@H](NC(=O)C(CO)NC(N)=O)C1=N[N-]N=N1	REAL300020164203	0	36	-1.0	-48.55	324.21	-5.77	-54.32
CSCC[C@H](NC(=O)C(CO)NC(N)=O)C1=NN=N[N-]1	REAL300020164203	1	36	-1.0	-48.54	324.27	-5.75	-54.29
CSCC[C@H](NC(=O)C1=CC=CC(Br)=N1)C1=NN=N[N-]1	REAL300020164204	0	32	-1.0	-45.66	316.27	2.87	-42.79
CSCC[C@H](NC(=O)C1=CC=CC(Br)=N1)C1=N[N-]N=N1	REAL300020164204	1	32	-1.0	-45.64	316.21	2.86	-42.78
CSCC[C@H](NC(=O)C1=CC=CN=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020164205	0	35	-1.0	-49.06	326.63	3.36	-45.70
CSCC[C@H](NC(=O)C1=CC=CN=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020164205	1	35	-1.0	-49.05	326.57	3.34	-45.71
CSCC[C@H](NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300020164206	0	35	-2.0	-113.59	328.81	4.88	-108.71
CSCC[C@H](NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300020164206	1	35	-2.0	-113.60	328.87	4.90	-108.70
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=NN=N[N-]1	REAL300020164207	0	42	-1.0	-51.04	381.76	6.51	-44.53
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=N2)=CC=C1Cl)C1=N[N-]N=N1	REAL300020164207	1	42	-1.0	-51.08	381.71	6.50	-44.58
CCOC1=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1O	REAL300020164208	0	45	-1.0	-48.43	394.11	3.35	-45.08
CCOC1=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1O	REAL300020164208	1	45	-1.0	-48.42	394.17	3.37	-45.05
CSCC[C@H](NC(=O)C1COCCN1C)C1=N[N-]N=N1	REAL300020164209	0	39	-1.0	-45.15	328.80	-0.55	-45.70
CSCC[C@H](NC(=O)C1COCCN1C)C1=NN=N[N-]1	REAL300020164209	1	39	-1.0	-45.14	328.86	-0.53	-45.67
CSCC[C@H](NC(=O)C1=C(C2CC2)N(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300020164210	0	49	-1.0	-47.53	403.30	5.63	-41.90
CSCC[C@H](NC(=O)C1=C(C2CC2)N(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300020164210	1	49	-1.0	-47.55	403.36	5.64	-41.91
CSCC[C@H](NC(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=N[N-]N=N1	REAL300020164211	0	38	-1.0	-51.49	363.99	3.01	-48.48
CSCC[C@H](NC(=O)C1=CSC(C2=NC=CC=C2F)=N1)C1=NN=N[N-]1	REAL300020164211	1	38	-1.0	-51.54	364.05	3.03	-48.51
CSCC[C@H](NC(=O)C1=CC(C)=C(Br)C=C1C)C1=N[N-]N=N1	REAL300020164212	0	39	-1.0	-43.00	353.04	5.95	-37.05
CSCC[C@H](NC(=O)C1=CC(C)=C(Br)C=C1C)C1=NN=N[N-]1	REAL300020164212	1	39	-1.0	-42.98	353.09	5.97	-37.01
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020164213	0	41	-1.0	-47.22	367.76	4.65	-42.57
COC1=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020164213	1	41	-1.0	-47.17	367.82	4.67	-42.50
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020164214	0	42	-1.0	-62.21	387.31	6.28	-55.93
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020164214	1	42	-1.0	-62.22	387.25	6.27	-55.95
CSCC[C@H](NC(=O)C1=CC(C)=C(F)C(C)=C1)C1=N[N-]N=N1	REAL300020164215	0	39	-1.0	-44.12	344.50	5.43	-38.69
CSCC[C@H](NC(=O)C1=CC(C)=C(F)C(C)=C1)C1=NN=N[N-]1	REAL300020164215	1	39	-1.0	-44.10	344.56	5.44	-38.66
CSCC[C@H](NC(=O)C1=CC=CN1C(C)C)C1=N[N-]N=N1	REAL300020164216	0	40	-1.0	-47.25	343.19	4.95	-42.30
CSCC[C@H](NC(=O)C1=CC=CN1C(C)C)C1=NN=N[N-]1	REAL300020164216	1	40	-1.0	-47.25	343.25	4.96	-42.29
CSCC[C@H](NC(=O)C1=NC(C)=C(C)NC1=O)C1=N[N-]N=N1	REAL300020164217	0	38	-1.0	-62.24	337.55	1.74	-60.50
CSCC[C@H](NC(=O)C1=NC(C)=C(C)NC1=O)C1=NN=N[N-]1	REAL300020164217	1	38	-1.0	-62.16	337.61	1.76	-60.40
CSCC[C@H](NC(=O)CC(O)C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020164218	0	40	-1.0	-47.98	356.86	3.33	-44.65
CSCC[C@H](NC(=O)CC(O)C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020164218	1	40	-1.0	-48.02	356.91	3.35	-44.67
COC(=O)C1=CN=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020164219	0	37	-1.0	-42.52	345.42	1.14	-41.38
COC(=O)C1=CN=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020164219	1	37	-1.0	-42.46	345.36	1.12	-41.34
CSCC[C@H](NC(=O)CCC1(C)CCC(=O)N1)C1=N[N-]N=N1	REAL300020164220	0	43	-1.0	-47.85	362.37	1.80	-46.05
CSCC[C@H](NC(=O)CCC1(C)CCC(=O)N1)C1=NN=N[N-]1	REAL300020164220	1	43	-1.0	-47.83	362.43	1.81	-46.02
CSCC[C@H](NC(=O)C1=CC=CN2C(=O)NN=C12)C1=N[N-]N=N1	REAL300020164221	0	36	-1.0	-49.36	328.30	2.77	-46.59
CSCC[C@H](NC(=O)C1=CC=CN2C(=O)NN=C12)C1=NN=N[N-]1	REAL300020164221	1	36	-1.0	-49.34	328.36	2.78	-46.56
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1C)C1=N[N-]N=N1	REAL300020164222	0	36	-1.0	-43.76	330.33	5.28	-38.48
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1C)C1=NN=N[N-]1	REAL300020164222	1	36	-1.0	-43.78	330.39	5.29	-38.49
CSCC[C@H](NC(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020164223	0	43	-1.0	-55.45	391.75	2.16	-53.29
CSCC[C@H](NC(=O)COC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020164223	1	43	-1.0	-55.43	391.81	2.18	-53.25
CSCC[C@H](NC(=O)C1CCC(=O)C(C)C1)C1=N[N-]N=N1	REAL300020164224	0	41	-1.0	-46.59	342.31	3.88	-42.71
CSCC[C@H](NC(=O)C1CCC(=O)C(C)C1)C1=NN=N[N-]1	REAL300020164224	1	41	-1.0	-46.61	342.36	3.90	-42.71
CSCC[C@H](NC(=O)C1=CN=C2SCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020164225	0	38	-1.0	-45.63	352.69	1.19	-44.44
CSCC[C@H](NC(=O)C1=CN=C2SCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020164225	1	38	-1.0	-45.62	352.64	1.18	-44.44
CSCC[C@H](NC(=O)C1=CN=C2C=CC=CN12)C1=NN=N[N-]1	REAL300020164226	0	36	-1.0	-50.56	323.12	4.41	-46.15
CSCC[C@H](NC(=O)C1=CN=C2C=CC=CN12)C1=N[N-]N=N1	REAL300020164226	1	36	-1.0	-50.61	323.06	4.39	-46.22
CCCCCCCCCCC(C)(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164227	0	62	-1.0	-46.06	486.79	9.74	-36.32
CCCCCCCCCCC(C)(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164227	1	62	-1.0	-46.10	486.85	9.75	-36.35
CSCC[C@H](NC(=O)C1=NC=CN2C(Br)=CN=C12)C1=NN=N[N-]1	REAL300020164228	0	35	-1.0	-52.16	343.11	3.58	-48.58
CSCC[C@H](NC(=O)C1=NC=CN2C(Br)=CN=C12)C1=N[N-]N=N1	REAL300020164228	1	35	-1.0	-52.15	343.05	3.57	-48.58
CSCC[C@H](NC(=O)C(OC1=CC=CC(Cl)=C1)C(C)C)C1=N[N-]N=N1	REAL300020164229	0	46	-1.0	-48.60	398.19	6.91	-41.69
CSCC[C@H](NC(=O)C(OC1=CC=CC(Cl)=C1)C(C)C)C1=NN=N[N-]1	REAL300020164229	1	46	-1.0	-48.59	398.24	6.92	-41.67
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300020164230	0	40	-1.0	-50.94	367.71	4.58	-46.36
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300020164230	1	40	-1.0	-50.95	367.65	4.56	-46.39
CSCC[C@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C1=N[N-]N=N1	REAL300020164231	0	48	-1.0	-46.10	379.21	6.06	-40.04
CSCC[C@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C1=NN=N[N-]1	REAL300020164231	1	48	-1.0	-46.06	379.27	6.07	-39.99
CSCC[C@H](NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1)C1=N[N-]N=N1	REAL300020164232	0	40	-1.0	-43.46	370.25	5.01	-38.45
CSCC[C@H](NC(=O)C1=CC2=CC=C(C(F)(F)F)C=C2N1)C1=NN=N[N-]1	REAL300020164232	1	40	-1.0	-43.42	370.31	5.03	-38.39
CSCC[C@H](NC(=O)C(C)CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020164233	0	42	-1.0	-43.95	380.28	6.67	-37.28
CSCC[C@H](NC(=O)C(C)CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020164233	1	42	-1.0	-43.93	380.33	6.68	-37.25
CSCC[C@H](NC(=O)C1=CC=CC=C1CCC(F)(F)F)C1=N[N-]N=N1	REAL300020164234	0	42	-1.0	-47.02	371.44	6.66	-40.36
CSCC[C@H](NC(=O)C1=CC=CC=C1CCC(F)(F)F)C1=NN=N[N-]1	REAL300020164234	1	42	-1.0	-47.00	371.50	6.67	-40.33
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164235	0	45	-1.0	-55.07	392.49	3.04	-52.03
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164235	1	45	-1.0	-55.10	392.54	3.05	-52.05
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=CC(C)=C1C)C1=N[N-]N=N1	REAL300020164236	0	45	-1.0	-54.46	391.71	2.82	-51.64
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=CC(C)=C1C)C1=NN=N[N-]1	REAL300020164236	1	45	-1.0	-54.45	391.77	2.83	-51.62
CCN1C=C(C(=O)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020164237	0	38	-1.0	-45.80	344.60	2.56	-43.24
CCN1C=C(C(=O)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020164237	1	38	-1.0	-45.81	344.65	2.58	-43.23
CSCC[C@H](NC(=O)CCN1C=CC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300020164238	0	43	-1.0	-43.27	393.17	7.27	-36.00
CSCC[C@H](NC(=O)CCN1C=CC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300020164238	1	43	-1.0	-43.25	393.23	7.29	-35.96
CSCC[C@H](NC(=O)C(C)=CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020164239	0	40	-1.0	-45.26	361.45	6.36	-38.90
CSCC[C@H](NC(=O)C(C)=CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020164239	1	40	-1.0	-45.25	361.51	6.38	-38.87
CSCC[C@H](NC(=O)C1=CC2=CC(F)=CC=C2OC1)C1=N[N-]N=N1	REAL300020164240	0	39	-1.0	-45.24	349.82	4.65	-40.59
CSCC[C@H](NC(=O)C1=CC2=CC(F)=CC=C2OC1)C1=NN=N[N-]1	REAL300020164240	1	39	-1.0	-45.22	349.87	4.67	-40.55
CSCC[C@H](NC(=O)C1COC2=CC=C(F)C=C2C1)C1=N[N-]N=N1	REAL300020164241	0	41	-1.0	-44.66	358.57	4.67	-39.99
CSCC[C@H](NC(=O)C1COC2=CC=C(F)C=C2C1)C1=NN=N[N-]1	REAL300020164241	1	41	-1.0	-44.63	358.63	4.69	-39.94
CSCC[C@H](NC(=O)C1CCC(=O)CC1C)C1=N[N-]N=N1	REAL300020164242	0	41	-1.0	-46.18	337.10	3.83	-42.35
CSCC[C@H](NC(=O)C1CCC(=O)CC1C)C1=NN=N[N-]1	REAL300020164242	1	41	-1.0	-46.21	337.16	3.85	-42.36
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1Cl)C1=N[N-]N=N1	REAL300020164243	0	36	-1.0	-48.64	328.78	5.17	-43.47
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1Cl)C1=NN=N[N-]1	REAL300020164243	1	36	-1.0	-48.65	328.84	5.18	-43.47
CSCC[C@H](NC(=O)CC1(C)CCCCC1)C1=N[N-]N=N1	REAL300020164244	0	45	-1.0	-44.60	349.93	5.29	-39.31
CSCC[C@H](NC(=O)CC1(C)CCCCC1)C1=NN=N[N-]1	REAL300020164244	1	45	-1.0	-44.62	349.99	5.30	-39.32
CCC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020164245	0	41	-1.0	-45.57	365.11	5.46	-40.11
CCC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020164245	1	41	-1.0	-45.56	365.17	5.48	-40.08
CSCC[C@H](NC(=O)C1(C)COC(C)(C)OC1)C1=N[N-]N=N1	REAL300020164246	0	44	-1.0	-43.93	358.27	2.50	-41.43
CSCC[C@H](NC(=O)C1(C)COC(C)(C)OC1)C1=NN=N[N-]1	REAL300020164246	1	44	-1.0	-43.98	358.33	2.51	-41.47
CCC(C)(C)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020164247	0	48	-1.0	-46.11	387.87	6.86	-39.25
CCC(C)(C)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020164247	1	48	-1.0	-46.13	387.93	6.88	-39.25
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(Br)=C1)C1=N[N-]N=N1	REAL300020164248	0	33	-1.0	-44.04	333.62	5.16	-38.88
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(Br)=C1)C1=NN=N[N-]1	REAL300020164248	1	33	-1.0	-44.03	333.68	5.17	-38.86
CSCC[C@H](NC(=O)C1=C2N=CC(Br)=CN2N=C1)C1=NN=N[N-]1	REAL300020164249	0	35	-1.0	-52.52	343.21	3.61	-48.91
CSCC[C@H](NC(=O)C1=C2N=CC(Br)=CN2N=C1)C1=N[N-]N=N1	REAL300020164249	1	35	-1.0	-52.52	343.15	3.60	-48.92
CSCC[C@H](NC(=O)C1(O)CCSCC1)C1=N[N-]N=N1	REAL300020164250	0	38	-1.0	-43.17	329.55	1.25	-41.92
CSCC[C@H](NC(=O)C1(O)CCSCC1)C1=NN=N[N-]1	REAL300020164250	1	38	-1.0	-43.21	329.60	1.26	-41.95
CSCC[C@H](NC(=O)C1=CSC(C2CCCO2)=N1)C1=N[N-]N=N1	REAL300020164251	0	40	-1.0	-47.19	363.86	2.07	-45.12
CSCC[C@H](NC(=O)C1=CSC(C2CCCO2)=N1)C1=NN=N[N-]1	REAL300020164251	1	40	-1.0	-47.21	363.92	2.08	-45.13
CSCC[C@H](NC(=O)C1=CSC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020164252	0	36	-1.0	-52.31	351.62	0.58	-51.73
CSCC[C@H](NC(=O)C1=CSC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020164252	1	36	-1.0	-52.31	351.68	0.59	-51.72
CCN1CCOCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164253	0	42	-1.0	-45.15	343.35	-0.07	-45.22
CCN1CCOCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164253	1	42	-1.0	-45.16	343.41	-0.05	-45.21
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020164254	0	35	-1.0	-47.21	332.99	3.62	-43.59
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020164254	1	35	-1.0	-47.23	332.93	3.60	-43.63
CCOC1=CC=CC=C1C(F)(F)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164255	0	43	-1.0	-45.52	379.39	5.19	-40.33
CCOC1=CC=CC=C1C(F)(F)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164255	1	43	-1.0	-45.56	379.44	5.21	-40.35
CSCC[C@H](NC(=O)C1=C(C(C)C)C(C(C)=O)=C(C)N1)C1=N[N-]N=N1	REAL300020164256	0	48	-1.0	-48.24	400.68	4.77	-43.47
CSCC[C@H](NC(=O)C1=C(C(C)C)C(C(C)=O)=C(C)N1)C1=NN=N[N-]1	REAL300020164256	1	48	-1.0	-48.27	400.73	4.78	-43.49
CSCC[C@H](NC(=O)C1=NOC(CN2C=C(C)C=N2)=C1)C1=N[N-]N=N1	REAL300020164257	0	42	-1.0	-52.25	382.43	3.86	-48.39
CSCC[C@H](NC(=O)C1=NOC(CN2C=C(C)C=N2)=C1)C1=NN=N[N-]1	REAL300020164257	1	42	-1.0	-52.26	382.48	3.88	-48.38
CNS(=O)(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CO1	REAL300020164258	0	38	-1.0	-51.30	359.93	-1.72	-53.02
CNS(=O)(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CO1	REAL300020164258	1	38	-1.0	-51.30	359.99	-1.71	-53.01
CSCC[C@H](NC(=O)C(C)C1CCOCC1)C1=N[N-]N=N1	REAL300020164259	0	43	-1.0	-45.90	348.56	3.12	-42.78
CSCC[C@H](NC(=O)C(C)C1CCOCC1)C1=NN=N[N-]1	REAL300020164259	1	43	-1.0	-45.91	348.62	3.14	-42.77
CSCC[C@H](NC(=O)C1=CC=C(CC2=NN=CN2)C=C1)C1=N[N-]N=N1	REAL300020164260	0	42	-1.0	-59.47	374.32	5.94	-53.53
CSCC[C@H](NC(=O)C1=CC=C(CC2=NN=CN2)C=C1)C1=NN=N[N-]1	REAL300020164260	1	42	-1.0	-59.45	374.38	5.96	-53.49
CSCC[C@H](NC(=O)C1=C2C=C(C)C=CN2N=C1)C1=NN=N[N-]1	REAL300020164261	0	39	-1.0	-52.70	346.50	4.50	-48.20
CSCC[C@H](NC(=O)C1=C2C=C(C)C=CN2N=C1)C1=N[N-]N=N1	REAL300020164261	1	39	-1.0	-52.68	346.45	4.48	-48.20
CSCC[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)C1=N[N-]N=N1	REAL300020164262	0	41	-1.0	-44.65	362.37	-1.15	-45.80
CSCC[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)C1=NN=N[N-]1	REAL300020164262	1	41	-1.0	-44.70	362.43	-1.13	-45.83
COC(=O)C1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020164263	0	45	-1.0	-56.82	371.45	4.83	-51.99
COC(=O)C1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020164263	1	45	-1.0	-56.79	371.51	4.84	-51.95
CSCC[C@H](NC(=O)CN1CCOCC1)C1=N[N-]N=N1	REAL300020164264	0	39	-1.0	-45.77	328.61	-0.24	-46.01
CSCC[C@H](NC(=O)CN1CCOCC1)C1=NN=N[N-]1	REAL300020164264	1	39	-1.0	-45.80	328.67	-0.23	-46.03
CSCC[C@H](NC(=O)C(C)C[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300020164265	0	46	0.0	-60.48	369.10	3.24	-57.24
CSCC[C@H](NC(=O)C(C)CN1CCOCC1)C1=N[N-]N=N1	REAL300020164265	1	45	-1.0	-45.56	369.51	1.32	-44.24
CSCC[C@H](NC(=O)C(C)CN1CCOCC1)C1=NN=N[N-]1	REAL300020164265	1	45	-1.0	-45.57	369.57	1.33	-44.24
CSCC[C@H](NC(=O)C(C)C[NH+]1CCOCC1)C1=N[N-]N=N1	REAL300020164265	1	46	0.0	-60.47	369.04	3.22	-57.25
COC(=O)C1=CN=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164266	0	38	-1.0	-48.02	347.52	2.96	-45.06
COC(=O)C1=CN=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164266	1	38	-1.0	-48.01	347.46	2.95	-45.06
CSCC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1=N[N-]N=N1	REAL300020164267	0	40	-1.0	-48.89	359.85	-0.15	-49.04
CSCC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1=NN=N[N-]1	REAL300020164267	1	40	-1.0	-48.96	359.91	-0.13	-49.09
CSCC[C@H](NC(=O)CCC(=O)N1CCC(O)CC1)C1=N[N-]N=N1	REAL300020164268	0	47	-1.0	-46.87	391.97	0.74	-46.13
CSCC[C@H](NC(=O)CCC(=O)N1CCC(O)CC1)C1=NN=N[N-]1	REAL300020164268	1	47	-1.0	-46.89	392.03	0.76	-46.13
CSCC[C@H](NC(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020164269	0	35	-1.0	-57.34	327.01	3.50	-53.84
CSCC[C@H](NC(=O)C1=NN(C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020164269	1	35	-1.0	-57.36	326.95	3.49	-53.87
CSCC[C@H](NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C1=NN=N[N-]1	REAL300020164270	0	45	-1.0	-49.33	394.39	8.03	-41.30
CSCC[C@H](NC(=O)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)C1=N[N-]N=N1	REAL300020164270	1	45	-1.0	-49.34	394.33	8.01	-41.33
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CN=C1)C1=N[N-]N=N1	REAL300020164271	0	41	-1.0	-51.70	347.84	3.87	-47.83
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020164271	1	41	-1.0	-51.72	347.90	3.88	-47.84
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1O)C1=N[N-]N=N1	REAL300020164272	0	37	-1.0	-47.81	327.76	3.28	-44.53
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1O)C1=NN=N[N-]1	REAL300020164272	1	37	-1.0	-47.79	327.82	3.29	-44.50
CSCC[C@H](NC(=O)C1=CC=C(O)C=C1O)C1=N[N-]N=N1	REAL300020164273	0	35	-1.0	-47.59	317.34	-0.22	-47.81
CSCC[C@H](NC(=O)C1=CC=C(O)C=C1O)C1=NN=N[N-]1	REAL300020164273	1	35	-1.0	-47.64	317.39	-0.20	-47.84
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1O)C1=N[N-]N=N1	REAL300020164274	0	34	-1.0	-45.25	312.78	2.68	-42.57
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1O)C1=NN=N[N-]1	REAL300020164274	1	34	-1.0	-45.22	312.84	2.70	-42.52
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=N[N-]N=N1	REAL300020164275	0	35	-2.0	-97.19	330.97	4.29	-92.90
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=NN=N[N-]1	REAL300020164275	1	35	-2.0	-97.15	331.03	4.30	-92.85
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1O)C1=N[N-]N=N1	REAL300020164276	0	34	-1.0	-44.63	327.65	3.24	-41.39
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1O)C1=NN=N[N-]1	REAL300020164276	1	34	-1.0	-44.64	327.71	3.25	-41.39
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300020164276	1	33	-2.0	-107.79	324.09	4.24	-103.55
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300020164276	1	33	-2.0	-107.77	324.14	4.26	-103.51
CSCC[C@H](NC(=O)C1=CC2=C(C=C1O)OCO2)C1=N[N-]N=N1	REAL300020164277	0	37	-1.0	-45.48	332.39	1.29	-44.19
CSCC[C@H](NC(=O)C1=CC2=C(C=C1O)OCO2)C1=NN=N[N-]1	REAL300020164277	1	37	-1.0	-45.49	332.44	1.30	-44.19
CCC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1O	REAL300020164278	0	40	-1.0	-47.95	348.06	4.06	-43.89
CCC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1O	REAL300020164278	1	40	-1.0	-47.89	348.12	4.08	-43.81
CSCC[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300020164279	0	39	-2.0	-110.23	362.00	6.36	-103.87
CSCC[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300020164279	1	39	-2.0	-110.21	362.05	6.37	-103.84
CSCC[C@H](NC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300020164279	1	40	-1.0	-45.93	365.56	5.36	-40.57
CSCC[C@H](NC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300020164279	1	40	-1.0	-45.89	365.62	5.38	-40.51
CSCC[C@H](NC(=O)C1=CC=C(C)C(O)=C1O)C1=N[N-]N=N1	REAL300020164280	0	38	-1.0	-49.21	337.12	1.02	-48.19
CSCC[C@H](NC(=O)C1=CC=C(C)C(O)=C1O)C1=NN=N[N-]1	REAL300020164280	1	38	-1.0	-49.18	337.18	1.04	-48.14
CSCC[C@H](NC(=O)C1=CC=C(C)C(C)=C1O)C1=N[N-]N=N1	REAL300020164281	0	40	-1.0	-48.20	343.39	3.86	-44.34
CSCC[C@H](NC(=O)C1=CC=C(C)C(C)=C1O)C1=NN=N[N-]1	REAL300020164281	1	40	-1.0	-48.20	343.44	3.88	-44.32
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)C=C1O)C1=N[N-]N=N1	REAL300020164282	0	43	-1.0	-47.09	366.49	4.53	-42.56
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)C=C1O)C1=NN=N[N-]1	REAL300020164282	1	43	-1.0	-47.09	366.55	4.54	-42.55
CSCC[C@H](NC(=O)C1=CC=C(C)N=C1Br)C1=N[N-]N=N1	REAL300020164283	0	35	-1.0	-48.35	330.56	3.45	-44.90
CSCC[C@H](NC(=O)C1=CC=C(C)N=C1Br)C1=NN=N[N-]1	REAL300020164283	1	35	-1.0	-48.37	330.62	3.47	-44.90
CCCCS(=O)(=O)NCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164284	0	43	-1.0	-55.52	383.10	-0.26	-55.78
CCCCS(=O)(=O)NCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164284	1	43	-1.0	-55.53	383.16	-0.24	-55.77
CSCC[C@H](NC(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL300020164285	0	39	-1.0	-51.94	350.94	3.95	-47.99
CSCC[C@H](NC(=O)C1=CC=C(N2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL300020164285	1	39	-1.0	-51.95	350.88	3.93	-48.02
C=CC(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020164286	0	43	-1.0	-46.17	371.50	6.59	-39.58
C=CC(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020164286	1	43	-1.0	-46.16	371.55	6.61	-39.55
COC(=O)C1=CC=CC=C1CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164287	0	45	-1.0	-54.45	389.74	5.98	-48.47
COC(=O)C1=CC=CC=C1CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164287	1	45	-1.0	-54.44	389.80	5.99	-48.45
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164288	0	55	-1.0	-42.97	435.42	3.80	-39.17
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164288	1	55	-1.0	-43.00	435.48	3.81	-39.19
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL300020164289	0	36	-1.0	-47.29	335.20	5.37	-41.92
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL300020164289	1	36	-1.0	-47.29	335.26	5.38	-41.91
CSCC[C@H](NC(=O)C1=C(F)C=CC(C)=C1F)C1=N[N-]N=N1	REAL300020164290	0	36	-1.0	-51.93	334.10	4.66	-47.27
CSCC[C@H](NC(=O)C1=C(F)C=CC(C)=C1F)C1=NN=N[N-]1	REAL300020164290	1	36	-1.0	-51.90	334.16	4.68	-47.22
CSCC[C@H](NC(=O)C1=C(O)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020164291	0	34	-1.0	-49.51	327.76	1.56	-47.95
CSCC[C@H](NC(=O)C1=C(O)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020164291	1	34	-1.0	-49.52	327.82	1.58	-47.94
CSCC[C@H](NC(=O)C1=C([O-])C=CC=C1Cl)C1=N[N-]N=N1	REAL300020164291	1	33	-2.0	-113.53	324.20	2.34	-111.19
CSCC[C@H](NC(=O)C1=C([O-])C=CC=C1Cl)C1=NN=N[N-]1	REAL300020164291	1	33	-2.0	-113.60	324.26	2.35	-111.25
CCC1=CC=C(O)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164292	0	40	-1.0	-47.26	349.25	4.05	-43.21
CCC1=CC=C(O)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164292	1	40	-1.0	-47.22	349.31	4.07	-43.15
CSCC[C@H](NC(=O)C1=CC(C(C)C)=CC=C1O)C1=N[N-]N=N1	REAL300020164293	0	43	-1.0	-48.93	366.51	4.53	-44.40
CSCC[C@H](NC(=O)C1=CC(C(C)C)=CC=C1O)C1=NN=N[N-]1	REAL300020164293	1	43	-1.0	-48.96	366.56	4.54	-44.42
CSCC[C@H](NC(=O)C1=CC(CCC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300020164294	0	50	-1.0	-50.42	430.66	7.85	-42.57
CSCC[C@H](NC(=O)C1=CC(CCC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300020164294	1	50	-1.0	-50.44	430.72	7.87	-42.57
CSCC[C@H](NC(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C1=N[N-]N=N1	REAL300020164295	0	47	-1.0	-48.50	409.16	7.07	-41.43
CSCC[C@H](NC(=O)C1=CC(CC2=CC=CC=C2)=CC=C1O)C1=NN=N[N-]1	REAL300020164295	1	47	-1.0	-48.48	409.22	7.09	-41.39
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)N1CCC(O)CC1)C1=N[N-]N=N1	REAL300020164296	0	52	-1.0	-50.20	422.93	2.64	-47.56
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)N1CCC(O)CC1)C1=NN=N[N-]1	REAL300020164296	1	52	-1.0	-50.20	422.99	2.65	-47.55
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C1=NN=N[N-]1	REAL300020164296	1	53	0.0	-50.14	425.88	4.48	-45.66
COC1=CC(C)=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1O	REAL300020164297	0	41	-1.0	-49.91	356.96	3.04	-46.87
COC1=CC(C)=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1O	REAL300020164297	1	41	-1.0	-49.89	357.02	3.05	-46.84
CSCC[C@H](NC(=O)C1=CN(C)N=C1C(C)(C)C)C1=NN=N[N-]1	REAL300020164298	0	45	-1.0	-47.39	371.80	4.28	-43.11
CSCC[C@H](NC(=O)C1=CN(C)N=C1C(C)(C)C)C1=N[N-]N=N1	REAL300020164298	1	45	-1.0	-47.36	371.74	4.26	-43.10
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL300020164299	0	40	-1.0	-48.56	375.70	5.77	-42.79
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL300020164299	1	40	-1.0	-48.55	375.64	5.75	-42.80
CSCC[C@H](NC(=O)CNC1=CC=C(C#N)C=N1)C1=NN=N[N-]1	REAL300020164300	0	38	-1.0	-48.24	350.60	2.57	-45.67
CSCC[C@H](NC(=O)CNC1=CC=C(C#N)C=N1)C1=N[N-]N=N1	REAL300020164300	1	38	-1.0	-48.23	350.54	2.55	-45.68
CSCC[C@H](NC(=O)C1=CC=CC=C1NCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164301	0	48	-1.0	-47.09	408.62	7.07	-40.02
CSCC[C@H](NC(=O)C1=CC=CC=C1NCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164301	1	48	-1.0	-47.10	408.68	7.09	-40.01
CSCC[C@H](NC(=O)C1=CC=CC(C2OCCO2)=C1)C1=N[N-]N=N1	REAL300020164302	0	42	-1.0	-49.41	364.82	3.73	-45.68
CSCC[C@H](NC(=O)C1=CC=CC(C2OCCO2)=C1)C1=NN=N[N-]1	REAL300020164302	1	42	-1.0	-49.43	364.88	3.74	-45.69
CSCC[C@H](NC(=O)C1=CC=CC(=O)N1C)C1=N[N-]N=N1	REAL300020164303	0	36	-1.0	-47.93	316.59	2.76	-45.17
CSCC[C@H](NC(=O)C1=CC=CC(=O)N1C)C1=NN=N[N-]1	REAL300020164303	1	36	-1.0	-47.91	316.65	2.77	-45.14
CSCC[C@H](NC(=O)C[N@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL300020164304	0	43	0.0	-59.87	357.06	4.77	-55.10
CSCC[C@H](NC(=O)C[N@@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL300020164304	1	43	0.0	-57.80	357.28	4.75	-53.05
CSCC[C@H](NC(=O)CN(C)C1CCSC1)C1=N[N-]N=N1	REAL300020164304	1	42	-1.0	-46.16	354.98	2.55	-43.61
CSCC[C@H](NC(=O)CN(C)C1CCSC1)C1=NN=N[N-]1	REAL300020164304	1	42	-1.0	-46.17	355.04	2.56	-43.61
CCOC(=O)C1=C2N=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N2N=C1	REAL300020164305	0	44	-1.0	-49.27	396.20	4.96	-44.31
CCOC(=O)C1=C2N=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N2N=C1	REAL300020164305	1	44	-1.0	-49.23	396.14	4.94	-44.29
CSCC[C@H](NC(=O)C1=CC=NC2=C(C(N)=O)C=NN21)C1=NN=N[N-]1	REAL300020164306	0	39	-1.0	-52.74	354.73	0.10	-52.64
CSCC[C@H](NC(=O)C1=CC=NC2=C(C(N)=O)C=NN21)C1=N[N-]N=N1	REAL300020164306	1	39	-1.0	-52.69	354.67	0.08	-52.61
CSCC[C@H](NC(=O)C1=COC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020164307	0	35	-1.0	-51.74	337.56	-2.94	-54.68
CSCC[C@H](NC(=O)C1=COC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020164307	1	35	-1.0	-51.79	337.62	-2.93	-54.72
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020164308	0	39	-1.0	-53.98	354.01	5.79	-48.19
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020164308	1	39	-1.0	-53.98	353.95	5.78	-48.20
CSCC[C@H](NC(=O)C1=C(C(F)F)N(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300020164309	0	45	-1.0	-43.25	389.24	4.87	-38.38
CSCC[C@H](NC(=O)C1=C(C(F)F)N(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300020164309	1	45	-1.0	-43.30	389.30	4.89	-38.41
CSCC[C@H](NC(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164310	0	51	-1.0	-49.65	423.73	8.60	-41.05
CSCC[C@H](NC(=O)CN(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164310	1	51	-1.0	-49.69	423.79	8.61	-41.08
CSCC[C@H](NC(=O)C1=CN=C2C=CC(C)=CN12)C1=NN=N[N-]1	REAL300020164311	0	39	-1.0	-50.72	344.35	5.06	-45.66
CSCC[C@H](NC(=O)C1=CN=C2C=CC(C)=CN12)C1=N[N-]N=N1	REAL300020164311	1	39	-1.0	-50.73	344.29	5.04	-45.69
COC(=O)C1=CC=CC=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164312	0	42	-1.0	-48.34	369.62	5.13	-43.21
COC(=O)C1=CC=CC=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164312	1	42	-1.0	-48.30	369.68	5.14	-43.16
CSCC[C@H](NC(=O)C1=CN=C(N(C)C)C=N1)C1=NN=N[N-]1	REAL300020164313	0	39	-1.0	-48.02	343.79	2.10	-45.92
CSCC[C@H](NC(=O)C1=CN=C(N(C)C)C=N1)C1=N[N-]N=N1	REAL300020164313	1	39	-1.0	-48.02	343.73	2.09	-45.93
CSCC[C@H](NC(=O)CN1N=CN(C)C1=O)C1=N[N-]N=N1	REAL300020164314	0	36	-1.0	-60.92	330.76	3.22	-57.70
CSCC[C@H](NC(=O)CN1N=CN(C)C1=O)C1=NN=N[N-]1	REAL300020164314	1	36	-1.0	-60.88	330.81	3.23	-57.65
CCC1=CC=CN=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164315	0	38	-1.0	-47.79	328.99	3.79	-44.00
CCC1=CC=CN=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164315	1	38	-1.0	-47.78	328.93	3.78	-44.00
CSCC[C@H](NC(=O)C1=CN(C)N=C1C(F)F)C1=N[N-]N=N1	REAL300020164316	0	36	-1.0	-54.30	332.39	2.68	-51.62
CSCC[C@H](NC(=O)C1=CN(C)N=C1C(F)F)C1=NN=N[N-]1	REAL300020164316	1	36	-1.0	-54.30	332.44	2.70	-51.60
CSCC[C@H](NC(=O)C1=CC=NC(Cl)=C1F)C1=NN=N[N-]1	REAL300020164317	0	32	-1.0	-48.22	313.75	2.83	-45.39
CSCC[C@H](NC(=O)C1=CC=NC(Cl)=C1F)C1=N[N-]N=N1	REAL300020164317	1	32	-1.0	-48.22	313.69	2.82	-45.40
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL300020164318	0	44	-1.0	-52.95	381.32	2.55	-50.40
CSCC[C@H](NC(=O)C(C)OC1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL300020164318	1	44	-1.0	-52.92	381.38	2.57	-50.35
CSCC[C@H](NC(=O)C1=CSC(CC2=CC=C(C)C=C2)=N1)C1=N[N-]N=N1	REAL300020164319	0	45	-1.0	-47.57	409.53	6.24	-41.33
CSCC[C@H](NC(=O)C1=CSC(CC2=CC=C(C)C=C2)=N1)C1=NN=N[N-]1	REAL300020164319	1	45	-1.0	-47.58	409.58	6.26	-41.32
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020164320	0	39	-1.0	-42.79	345.73	5.25	-37.54
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020164320	1	39	-1.0	-42.80	345.79	5.26	-37.54
CSCC[C@H](NC(=O)C(C)C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020164321	0	39	-1.0	-46.81	359.36	5.94	-40.87
CSCC[C@H](NC(=O)C(C)C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020164321	1	39	-1.0	-46.83	359.42	5.95	-40.88
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)C)=C1)C1=N[N-]N=N1	REAL300020164322	0	49	-1.0	-49.96	415.17	6.76	-43.20
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(C)C)=C1)C1=NN=N[N-]1	REAL300020164322	1	49	-1.0	-50.00	415.23	6.78	-43.22
CSCC[C@H](NC(=O)CCC1=NC(CSC)=NO1)C1=N[N-]N=N1	REAL300020164323	0	41	-1.0	-45.89	379.85	2.22	-43.67
CSCC[C@H](NC(=O)CCC1=NC(CSC)=NO1)C1=NN=N[N-]1	REAL300020164323	1	41	-1.0	-45.87	379.91	2.23	-43.64
CCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1	REAL300020164324	0	38	-1.0	-46.57	341.73	2.03	-44.54
CCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1	REAL300020164324	1	38	-1.0	-46.56	341.67	2.02	-44.54
CSCC[C@H](NC(=O)C(C)(C)C1CCCCC1)C1=N[N-]N=N1	REAL300020164325	0	48	-1.0	-46.55	368.96	5.83	-40.72
CSCC[C@H](NC(=O)C(C)(C)C1CCCCC1)C1=NN=N[N-]1	REAL300020164325	1	48	-1.0	-46.52	369.01	5.85	-40.67
CSCC[C@H](NC(=O)C1=CN(CC(=O)NC2CCCC2)N=C1)C1=NN=N[N-]1	REAL300020164326	0	50	-1.0	-57.38	427.07	3.45	-53.93
CSCC[C@H](NC(=O)C1=CN(CC(=O)NC2CCCC2)N=C1)C1=N[N-]N=N1	REAL300020164326	1	50	-1.0	-57.39	427.01	3.43	-53.96
CSCC[C@H](NC(=O)C1OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020164327	0	41	-1.0	-46.89	348.44	4.36	-42.53
CSCC[C@H](NC(=O)C1OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020164327	1	41	-1.0	-46.87	348.49	4.38	-42.49
CSCC[C@H](NC(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=NN=N[N-]1	REAL300020164328	0	44	-1.0	-43.72	392.24	4.94	-38.78
CSCC[C@H](NC(=O)C1=CC(C2=CC=C3OCCC3=C2)=NO1)C1=N[N-]N=N1	REAL300020164328	1	44	-1.0	-43.70	392.18	4.92	-38.78
CCCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164329	0	55	-1.0	-44.86	442.74	3.87	-40.99
CCCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164329	1	55	-1.0	-44.90	442.79	3.88	-41.02
CNC(=O)COC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164330	0	47	-1.0	-61.84	412.18	3.61	-58.23
CNC(=O)COC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164330	1	47	-1.0	-61.85	412.23	3.63	-58.22
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1C)C1=N[N-]N=N1	REAL300020164331	0	36	-1.0	-43.10	319.98	4.82	-38.28
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1C)C1=NN=N[N-]1	REAL300020164331	1	36	-1.0	-43.10	320.04	4.83	-38.27
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=N[N-]N=N1	REAL300020164332	0	39	-1.0	-53.70	362.75	1.69	-52.01
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=CC=C1F)C1=NN=N[N-]1	REAL300020164332	1	39	-1.0	-53.63	362.81	1.70	-51.93
CSCC[C@H](NC(=O)CCCC1(C)NC(=O)NC1=O)C1=N[N-]N=N1	REAL300020164333	0	44	-1.0	-55.27	377.58	-0.88	-56.15
CSCC[C@H](NC(=O)CCCC1(C)NC(=O)NC1=O)C1=NN=N[N-]1	REAL300020164333	1	44	-1.0	-55.29	377.64	-0.87	-56.16
CSCC[C@H](NC(=O)C1=CC=CC(OC(C)C)=N1)C1=NN=N[N-]1	REAL300020164334	0	42	-1.0	-45.71	368.98	2.80	-42.91
CSCC[C@H](NC(=O)C1=CC=CC(OC(C)C)=N1)C1=N[N-]N=N1	REAL300020164334	1	42	-1.0	-45.72	368.93	2.79	-42.93
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C1=CC=CC=N1	REAL300020164335	0	46	-1.0	-50.28	396.23	5.78	-44.50
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C1=CC=CC=N1	REAL300020164335	1	46	-1.0	-50.27	396.17	5.77	-44.50
CSCC[C@H](NC(=O)C1=CC=CC(C2=CC=CC=N2)=C1C)C1=N[N-]N=N1	REAL300020164336	0	45	-1.0	-53.52	378.90	7.20	-46.32
CSCC[C@H](NC(=O)C1=CC=CC(C2=CC=CC=N2)=C1C)C1=NN=N[N-]1	REAL300020164336	1	45	-1.0	-53.53	378.95	7.22	-46.31
COC1=CC=C2NC(C)=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C2=C1	REAL300020164337	0	44	-1.0	-50.61	384.28	3.88	-46.73
COC1=CC=C2NC(C)=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C2=C1	REAL300020164337	1	44	-1.0	-50.61	384.33	3.89	-46.72
CSCC[C@H](NC(=O)C1=C(C)C(C)=NN(C)C1=O)C1=N[N-]N=N1	REAL300020164338	0	41	-1.0	-49.14	350.17	2.75	-46.39
CSCC[C@H](NC(=O)C1=C(C)C(C)=NN(C)C1=O)C1=NN=N[N-]1	REAL300020164338	1	41	-1.0	-49.12	350.22	2.77	-46.35
CSCC[C@H](NC(=O)C1=CC=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL300020164339	0	45	-1.0	-45.45	357.77	6.22	-39.23
CSCC[C@H](NC(=O)C1=CC=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL300020164339	1	45	-1.0	-45.46	357.83	6.24	-39.22
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C(Cl)=N1)C1=NN=N[N-]1	REAL300020164340	0	38	-1.0	-47.55	355.60	5.01	-42.54
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C(Cl)=N1)C1=N[N-]N=N1	REAL300020164340	1	38	-1.0	-47.59	355.54	5.00	-42.59
CSCC[C@H](NC(=O)C(C)(NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300020164341	0	53	-1.0	-57.23	427.19	3.70	-53.53
CSCC[C@H](NC(=O)C(C)(NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300020164341	1	53	-1.0	-57.30	427.23	3.72	-53.58
CSCC[C@H](NC(=O)CC1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL300020164342	0	36	-1.0	-47.73	348.91	5.41	-42.32
CSCC[C@H](NC(=O)CC1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL300020164342	1	36	-1.0	-47.76	348.96	5.42	-42.34
CSCC[C@H](NC(=O)CC1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL300020164343	0	36	-1.0	-45.77	346.77	5.34	-40.43
CSCC[C@H](NC(=O)CC1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL300020164343	1	36	-1.0	-45.77	346.83	5.35	-40.42
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C(C(C)C)=NN1)C1=N[N-]N=N1	REAL300020164344	0	41	-1.0	-47.93	373.31	3.30	-44.63
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C(C(C)C)=NN1)C1=NN=N[N-]1	REAL300020164344	1	41	-1.0	-47.93	373.37	3.31	-44.62
CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300020164345	0	56	-1.0	-52.43	447.46	5.28	-47.15
CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300020164345	1	56	-1.0	-52.38	447.52	5.29	-47.09
CSCC[C@H](NC(=O)C1CCCC2=C1C=CS2)C1=N[N-]N=N1	REAL300020164346	0	40	-1.0	-44.71	351.18	5.40	-39.31
CSCC[C@H](NC(=O)C1CCCC2=C1C=CS2)C1=NN=N[N-]1	REAL300020164346	1	40	-1.0	-44.71	351.23	5.41	-39.30
CSCC[C@H](NC(=O)C(C)(C)CCC(C)=O)C1=N[N-]N=N1	REAL300020164347	0	43	-1.0	-56.19	359.50	4.18	-52.01
CSCC[C@H](NC(=O)C(C)(C)CCC(C)=O)C1=NN=N[N-]1	REAL300020164347	1	43	-1.0	-56.21	359.56	4.20	-52.01
CSCC[C@H](NC(=O)C1CCN2C=NC=C2C1)C1=N[N-]N=N1	REAL300020164348	0	40	-1.0	-48.47	342.25	4.95	-43.52
CSCC[C@H](NC(=O)C1CCN2C=NC=C2C1)C1=NN=N[N-]1	REAL300020164348	1	40	-1.0	-48.49	342.31	4.97	-43.52
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164349	0	55	-1.0	-51.03	437.91	3.55	-47.48
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164349	1	55	-1.0	-51.02	437.96	3.56	-47.46
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)N(C)C)C=C1Cl)C1=N[N-]N=N1	REAL300020164350	0	45	-1.0	-55.92	398.53	4.34	-51.58
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)N(C)C)C=C1Cl)C1=NN=N[N-]1	REAL300020164350	1	45	-1.0	-55.90	398.59	4.36	-51.54
CSCC[C@H](NC(=O)C1=CN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300020164351	0	38	-1.0	-45.29	348.15	3.31	-41.98
CSCC[C@H](NC(=O)C1=CN=C(C(C)C)S1)C1=NN=N[N-]1	REAL300020164351	1	38	-1.0	-45.29	348.20	3.33	-41.96
CSCC[C@H](NC(=O)C1=C(C2CC2)ON=C1)C1=N[N-]N=N1	REAL300020164352	0	36	-1.0	-43.51	326.32	3.88	-39.63
CSCC[C@H](NC(=O)C1=C(C2CC2)ON=C1)C1=NN=N[N-]1	REAL300020164352	1	36	-1.0	-43.52	326.38	3.90	-39.62
CSCC[C@H](NC(=O)C1=CC2=NC=CN2C=C1)C1=N[N-]N=N1	REAL300020164353	0	36	-1.0	-52.24	324.14	4.64	-47.60
CSCC[C@H](NC(=O)C1=CC2=NC=CN2C=C1)C1=NN=N[N-]1	REAL300020164353	1	36	-1.0	-52.27	324.20	4.67	-47.60
CSCC[C@H](NC(=O)CCC(C)(C)C(C)=O)C1=N[N-]N=N1	REAL300020164354	0	43	-1.0	-54.77	358.13	3.99	-50.78
CSCC[C@H](NC(=O)CCC(C)(C)C(C)=O)C1=NN=N[N-]1	REAL300020164354	1	43	-1.0	-54.77	358.19	4.00	-50.77
COCCOC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164355	0	47	-1.0	-52.57	407.14	4.26	-48.31
COCCOC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164355	1	47	-1.0	-52.57	407.20	4.27	-48.30
CSCC[C@H](NC(=O)CC(O)(C1=CC=C(C)O1)C(F)(F)F)C1=N[N-]N=N1	REAL300020164356	0	43	-1.0	-42.87	387.49	3.30	-39.57
CSCC[C@H](NC(=O)CC(O)(C1=CC=C(C)O1)C(F)(F)F)C1=NN=N[N-]1	REAL300020164356	1	43	-1.0	-42.88	387.55	3.32	-39.56
CCCCN1N=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020164357	0	45	-1.0	-46.82	382.92	4.72	-42.10
CCCCN1N=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020164357	1	45	-1.0	-46.81	382.98	4.74	-42.07
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020164358	0	36	-1.0	-44.63	349.35	5.49	-39.14
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020164358	1	36	-1.0	-44.62	349.41	5.50	-39.12
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020164359	0	54	-1.0	-48.68	428.99	8.01	-40.67
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020164359	1	54	-1.0	-48.68	429.05	8.03	-40.65
CSCC[C@H](NC(=O)CC1=CC=CC([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020164360	0	41	-1.0	-53.26	364.29	5.88	-47.38
CSCC[C@H](NC(=O)CC1=CC=CC([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020164360	1	41	-1.0	-53.28	364.35	5.89	-47.39
CSCC[C@H](NC(=O)C1=CC2=CC=C(C)N=C2C=C1)C1=N[N-]N=N1	REAL300020164361	0	41	-1.0	-47.68	360.21	5.07	-42.61
CSCC[C@H](NC(=O)C1=CC2=CC=C(C)N=C2C=C1)C1=NN=N[N-]1	REAL300020164361	1	41	-1.0	-47.70	360.27	5.08	-42.62
CSCC[C@H](NC(=O)COC1=CC=CC(OCC(C)C)=C1)C1=N[N-]N=N1	REAL300020164362	0	50	-1.0	-51.72	424.03	6.37	-45.35
CSCC[C@H](NC(=O)COC1=CC=CC(OCC(C)C)=C1)C1=NN=N[N-]1	REAL300020164362	1	50	-1.0	-51.74	424.09	6.39	-45.35
CSCC[C@H](NC(=O)CCCNC(=O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020164363	0	45	-1.0	-50.22	395.18	2.26	-47.96
CSCC[C@H](NC(=O)CCCNC(=O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL300020164363	1	45	-1.0	-50.22	395.12	2.24	-47.98
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020164364	0	38	-1.0	-41.43	364.76	5.76	-35.67
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020164364	1	38	-1.0	-41.47	364.82	5.77	-35.70
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Br)=C1)C1=N[N-]N=N1	REAL300020164365	0	33	-1.0	-42.24	335.56	5.20	-37.04
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Br)=C1)C1=NN=N[N-]1	REAL300020164365	1	33	-1.0	-42.22	335.62	5.22	-37.00
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL300020164366	0	33	-1.0	-44.02	314.76	4.28	-39.74
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL300020164366	1	33	-1.0	-44.03	314.82	4.29	-39.74
CSCC[C@H](NC(=O)CCCC1=C(C)C=CS1)C1=N[N-]N=N1	REAL300020164367	0	42	-1.0	-46.87	373.85	6.00	-40.87
CSCC[C@H](NC(=O)CCCC1=C(C)C=CS1)C1=NN=N[N-]1	REAL300020164367	1	42	-1.0	-46.81	373.91	6.01	-40.80
CSCC[C@H](NC(=O)C1=CC=CC=C1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020164368	0	50	-1.0	-47.30	414.91	4.89	-42.41
CSCC[C@H](NC(=O)C1=CC=CC=C1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020164368	1	50	-1.0	-47.33	414.96	4.91	-42.42
CSCC[C@H](NC(=O)C1(C)CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020164369	0	53	-1.0	-56.39	425.53	5.47	-50.92
CSCC[C@H](NC(=O)C1(C)CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020164369	1	53	-1.0	-56.40	425.58	5.47	-50.93
CSCC[C@H](NC(=O)C1CCC[N@@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300020164370	0	49	0.0	-58.35	370.24	5.67	-52.68
CSCC[C@H](NC(=O)C1CCC[N@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300020164370	1	49	0.0	-56.29	383.70	5.89	-50.40
C=CC(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020164371	0	44	-1.0	-52.68	369.71	3.64	-49.04
C=CC(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020164371	1	44	-1.0	-52.72	369.77	3.65	-49.07
CSCC[C@H](NC(=O)C1=CC2=C(CCC(C)(C)C2)NC1=O)C1=N[N-]N=N1	REAL300020164372	0	49	-1.0	-55.40	398.34	4.60	-50.80
CSCC[C@H](NC(=O)C1=CC2=C(CCC(C)(C)C2)NC1=O)C1=NN=N[N-]1	REAL300020164372	1	49	-1.0	-55.44	398.40	4.62	-50.82
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)O1)C1=N[N-]N=N1	REAL300020164373	0	34	-1.0	-44.07	320.40	-1.05	-45.12
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)O1)C1=NN=N[N-]1	REAL300020164373	1	34	-1.0	-44.09	320.46	-1.04	-45.13
CSCC[C@H](NC(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020164374	0	40	-1.0	-47.98	368.16	4.55	-43.43
CSCC[C@H](NC(=O)CC1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020164374	1	40	-1.0	-47.94	368.22	4.57	-43.37
CSCC[C@H](NC(=O)C1(OCC2=CC=CC=C2)CCOCC1)C1=N[N-]N=N1	REAL300020164375	0	51	-1.0	-44.04	419.46	5.22	-38.82
CSCC[C@H](NC(=O)C1(OCC2=CC=CC=C2)CCOCC1)C1=NN=N[N-]1	REAL300020164375	1	51	-1.0	-44.04	419.52	5.23	-38.81
CSCC[C@H](NC(=O)C(C(C)C)N1CCCS1(=O)=O)C1=N[N-]N=N1	REAL300020164376	0	47	-1.0	-49.45	389.02	1.29	-48.16
CSCC[C@H](NC(=O)C(C(C)C)N1CCCS1(=O)=O)C1=NN=N[N-]1	REAL300020164376	1	47	-1.0	-49.46	389.08	1.30	-48.16
CSCC[C@H](NC(=O)C1=CC2=CC=CC(C)=C2N1)C1=N[N-]N=N1	REAL300020164377	0	40	-1.0	-45.84	352.50	4.67	-41.17
CSCC[C@H](NC(=O)C1=CC2=CC=CC(C)=C2N1)C1=NN=N[N-]1	REAL300020164377	1	40	-1.0	-45.86	352.56	4.70	-41.16
CSCC[C@H](NC(=O)C(C)CSCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164378	0	46	-1.0	-44.98	405.66	7.51	-37.47
CSCC[C@H](NC(=O)C(C)CSCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164378	1	46	-1.0	-45.03	405.72	7.53	-37.50
CCC(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020164379	0	43	-1.0	-54.99	364.85	3.11	-51.88
CCC(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020164379	1	43	-1.0	-55.04	364.91	3.13	-51.91
CSCC[C@H](NC(=O)CN1C=CC(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020164380	0	38	-1.0	-62.06	354.32	5.31	-56.75
CSCC[C@H](NC(=O)CN1C=CC(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020164380	1	38	-1.0	-62.04	354.38	5.33	-56.71
CSCC[C@H](NC(=O)C1=CC=C(SC2=CC=CC=C2C)C=C1)C1=N[N-]N=N1	REAL300020164381	0	47	-1.0	-45.92	416.51	8.76	-37.16
CSCC[C@H](NC(=O)C1=CC=C(SC2=CC=CC=C2C)C=C1)C1=NN=N[N-]1	REAL300020164381	1	47	-1.0	-45.92	416.56	8.77	-37.15
CSCC[C@H](NC(=O)C1(C2=CC=CC(C#N)=C2)CC1)C1=N[N-]N=N1	REAL300020164382	0	41	-1.0	-49.92	369.46	6.17	-43.75
CSCC[C@H](NC(=O)C1(C2=CC=CC(C#N)=C2)CC1)C1=NN=N[N-]1	REAL300020164382	1	41	-1.0	-49.95	369.52	6.18	-43.77
CSCC[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1=N[N-]N=N1	REAL300020164383	0	55	-1.0	-41.49	432.45	4.00	-37.49
CSCC[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1=NN=N[N-]1	REAL300020164383	1	55	-1.0	-41.52	432.51	3.99	-37.53
CSCC[C@H](NC(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020164384	0	50	-1.0	-49.53	423.34	-0.90	-50.43
CSCC[C@H](NC(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020164384	1	50	-1.0	-49.48	423.40	-0.89	-50.37
CSCC[C@H](NC(=O)C(C)N1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020164385	0	42	-1.0	-50.58	366.26	5.89	-44.69
CSCC[C@H](NC(=O)C(C)N1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020164385	1	42	-1.0	-50.63	366.32	5.90	-44.73
CSCC[C@H](NC(=O)C1=C(C)NC(=O)C=C1)C1=N[N-]N=N1	REAL300020164386	0	36	-1.0	-44.66	318.21	1.65	-43.01
CSCC[C@H](NC(=O)C1=C(C)NC(=O)C=C1)C1=NN=N[N-]1	REAL300020164386	1	36	-1.0	-44.70	318.27	1.67	-43.03
CSCC[C@H](NC(=O)CC1=CC=C(Cl)N=C1C)C1=N[N-]N=N1	REAL300020164387	0	38	-1.0	-49.39	350.85	3.85	-45.54
CSCC[C@H](NC(=O)CC1=CC=C(Cl)N=C1C)C1=NN=N[N-]1	REAL300020164387	1	38	-1.0	-49.36	350.91	3.87	-45.49
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC(C)=CC=C2C)N=C1)C1=N[N-]N=N1	REAL300020164388	0	49	-1.0	-47.71	414.23	7.24	-40.47
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC(C)=CC=C2C)N=C1)C1=NN=N[N-]1	REAL300020164388	1	49	-1.0	-47.68	414.29	7.26	-40.42
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)N=C1)C1=N[N-]N=N1	REAL300020164389	0	41	-1.0	-45.05	352.63	4.14	-40.91
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)N=C1)C1=NN=N[N-]1	REAL300020164389	1	41	-1.0	-45.00	352.69	4.15	-40.85
CSCC[C@H](NC(=O)C1CC1C1=C(C)C=CS1)C1=N[N-]N=N1	REAL300020164390	0	40	-1.0	-45.37	361.20	5.83	-39.54
CSCC[C@H](NC(=O)C1CC1C1=C(C)C=CS1)C1=NN=N[N-]1	REAL300020164390	1	40	-1.0	-45.41	361.26	5.85	-39.56
CSCC[C@H](NC(=O)CSCC1=CSC=N1)C1=N[N-]N=N1	REAL300020164391	0	36	-1.0	-51.09	351.22	3.10	-47.99
CSCC[C@H](NC(=O)CSCC1=CSC=N1)C1=NN=N[N-]1	REAL300020164391	1	36	-1.0	-51.10	351.28	3.12	-47.98
CSCC[C@H](NC(=O)CCC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300020164392	0	45	-1.0	-45.65	386.38	6.89	-38.76
CSCC[C@H](NC(=O)CCC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300020164392	1	45	-1.0	-45.66	386.43	6.91	-38.75
CSCC[C@H](NC(=O)CC1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL300020164393	0	39	-1.0	-49.60	356.32	5.69	-43.91
CSCC[C@H](NC(=O)CC1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL300020164393	1	39	-1.0	-49.62	356.38	5.71	-43.91
CSCC[C@H](NC(=O)CC1CCC(C)(C)CC1)C1=N[N-]N=N1	REAL300020164394	0	48	-1.0	-45.69	375.97	5.92	-39.77
CSCC[C@H](NC(=O)CC1CCC(C)(C)CC1)C1=NN=N[N-]1	REAL300020164394	1	48	-1.0	-45.73	376.03	5.94	-39.79
CSCC[C@H](NC(=O)CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020164395	0	49	-1.0	-50.18	426.19	6.35	-43.83
CSCC[C@H](NC(=O)CC1=CC=C(OCC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020164395	1	49	-1.0	-50.20	426.25	6.36	-43.84
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=NN=N[N-]1	REAL300020164396	0	39	-1.0	-42.98	373.29	4.25	-38.73
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(Cl)C=C2)N=C1)C1=N[N-]N=N1	REAL300020164396	1	39	-1.0	-42.96	373.23	4.24	-38.72
COC1=CC2=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300020164397	0	49	-1.0	-50.36	412.82	5.81	-44.55
COC1=CC2=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300020164397	1	49	-1.0	-50.37	412.88	5.82	-44.55
CSCC[C@H](NC(=O)C1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL300020164398	0	38	-1.0	-56.87	338.78	4.50	-52.37
CSCC[C@H](NC(=O)C1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL300020164398	1	38	-1.0	-56.86	338.83	4.51	-52.35
CSCC[C@H](NC(=O)CC1=CSC2=NC=CN12)C1=NN=N[N-]1	REAL300020164399	0	36	-1.0	-49.56	339.14	4.37	-45.19
CSCC[C@H](NC(=O)CC1=CSC2=NC=CN12)C1=N[N-]N=N1	REAL300020164399	1	36	-1.0	-49.57	339.08	4.36	-45.21
CSCC[C@H](NC(=O)C1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300020164400	0	51	-1.0	-48.15	419.32	3.77	-44.38
CSCC[C@H](NC(=O)C1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300020164400	1	51	-1.0	-48.12	419.38	3.78	-44.34
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL300020164401	0	40	-1.0	-49.18	355.49	2.96	-46.22
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL300020164401	1	40	-1.0	-49.17	355.55	2.98	-46.19
CSCC[C@H](NC(=O)C1CCC2=NN=C(C)N2C1)C1=N[N-]N=N1	REAL300020164402	0	42	-1.0	-47.98	356.97	4.71	-43.27
CSCC[C@H](NC(=O)C1CCC2=NN=C(C)N2C1)C1=NN=N[N-]1	REAL300020164402	1	42	-1.0	-47.92	357.03	4.72	-43.20
CSCC[C@H](NC(=O)C=CC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300020164403	0	49	-1.0	-46.23	413.19	7.96	-38.27
CSCC[C@H](NC(=O)C=CC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300020164403	1	49	-1.0	-46.20	413.24	7.98	-38.22
CCSC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020164404	0	43	-1.0	-48.03	383.84	6.63	-41.40
CCSC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020164404	1	43	-1.0	-48.03	383.90	6.64	-41.39
CSCC[C@H](NC(=O)CC1=CC=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL300020164405	0	36	-1.0	-47.99	349.17	5.43	-42.56
CSCC[C@H](NC(=O)CC1=CC=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL300020164405	1	36	-1.0	-48.01	349.23	5.44	-42.57
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020164406	0	36	-1.0	-43.02	330.31	5.27	-37.75
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020164406	1	36	-1.0	-43.03	330.37	5.28	-37.75
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=NN=C(C)O1)C1=N[N-]N=N1	REAL300020164407	0	41	-1.0	-56.83	368.42	1.30	-55.53
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=NN=C(C)O1)C1=NN=N[N-]1	REAL300020164407	1	41	-1.0	-56.84	368.48	1.32	-55.52
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CO2)S1)C1=N[N-]N=N1	REAL300020164408	0	37	-1.0	-46.31	352.27	5.01	-41.30
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CO2)S1)C1=NN=N[N-]1	REAL300020164408	1	37	-1.0	-46.32	352.33	5.02	-41.30
CSCC[C@H](NC(=O)CCCOC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020164409	0	46	-1.0	-51.64	399.59	3.80	-47.84
CSCC[C@H](NC(=O)CCCOC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020164409	1	46	-1.0	-51.64	399.65	3.82	-47.82
CSCC[C@H](NC(=O)CCCOC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL300020164410	0	50	-1.0	-49.84	419.06	7.06	-42.78
CSCC[C@H](NC(=O)CCCOC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL300020164410	1	50	-1.0	-49.87	419.12	7.08	-42.79
CSCC[C@H](NC(=O)C=C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020164411	0	52	-1.0	-45.98	401.55	6.90	-39.08
CSCC[C@H](NC(=O)C=C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020164411	1	52	-1.0	-45.98	401.61	6.92	-39.06
COC1=CC=CC(C2=NNC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C2)=C1	REAL300020164412	0	44	-1.0	-46.32	388.51	3.42	-42.90
COC1=CC=CC(C2=NNC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C2)=C1	REAL300020164412	1	44	-1.0	-46.31	388.57	3.44	-42.87
CSCC[C@H](NC(=O)CCC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300020164413	0	51	-1.0	-45.21	424.76	8.25	-36.96
CSCC[C@H](NC(=O)CCC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300020164413	1	51	-1.0	-45.19	424.81	8.27	-36.92
CSCC[C@H](NC(=O)CC(C)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020164414	0	42	-1.0	-48.99	368.43	6.09	-42.90
CSCC[C@H](NC(=O)CC(C)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020164414	1	42	-1.0	-48.98	368.49	6.11	-42.87
CSCC[C@H](NC(=O)CSCC1=CSC=N1)C1=N[N-]N=N1	REAL300020164415	0	36	-1.0	-51.09	351.22	3.10	-47.99
CSCC[C@H](NC(=O)CSCC1=CSC=N1)C1=NN=N[N-]1	REAL300020164415	1	36	-1.0	-51.10	351.28	3.12	-47.98
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020164416	0	52	-1.0	-48.02	427.34	9.09	-38.93
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020164416	1	52	-1.0	-48.04	427.40	9.11	-38.93
CSCC[C@H](NC(=O)C1=C(C)NC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL300020164417	0	40	-1.0	-47.09	371.53	5.11	-41.98
CSCC[C@H](NC(=O)C1=C(C)NC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL300020164417	1	40	-1.0	-47.12	371.59	5.12	-42.00
CSCC[C@H](NC(=O)C1=CC(NS(C)(=O)=O)=CC=C1O)C1=N[N-]N=N1	REAL300020164418	0	42	-1.0	-49.90	383.63	-0.77	-50.67
CSCC[C@H](NC(=O)C1=CC(NS(C)(=O)=O)=CC=C1O)C1=NN=N[N-]1	REAL300020164418	1	42	-1.0	-49.90	383.68	-0.75	-50.65
CSCC[C@H](NC(=O)C1=CC2=C(C=C1O)CCCC2)C1=N[N-]N=N1	REAL300020164419	0	44	-1.0	-47.38	369.09	5.10	-42.28
CSCC[C@H](NC(=O)C1=CC2=C(C=C1O)CCCC2)C1=NN=N[N-]1	REAL300020164419	1	44	-1.0	-47.38	369.15	5.11	-42.27
CCOC(=O)C1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCC1	REAL300020164420	0	42	-1.0	-42.67	360.51	4.76	-37.91
CCOC(=O)C1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCC1	REAL300020164420	1	42	-1.0	-42.68	360.57	4.78	-37.90
CSCC[C@H](NC(=O)C=CC(=O)NC1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL300020164421	0	44	-1.0	-52.28	395.50	2.38	-49.90
CSCC[C@H](NC(=O)C=CC(=O)NC1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL300020164421	1	44	-1.0	-52.29	395.55	2.39	-49.90
CSCC[C@H](NC(=O)C(F)(F)C1(O)CCC1)C1=N[N-]N=N1	REAL300020164422	0	37	-1.0	-39.39	326.94	1.58	-37.81
CSCC[C@H](NC(=O)C(F)(F)C1(O)CCC1)C1=NN=N[N-]1	REAL300020164422	1	37	-1.0	-39.40	326.99	1.60	-37.80
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020164423	0	35	-1.0	-41.01	349.37	3.77	-37.24
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020164423	1	35	-1.0	-41.00	349.31	3.76	-37.24
CCCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)[NH+](C)C	REAL300020164424	0	44	0.0	-56.80	349.70	4.29	-52.51
CSCC[C@H](NC(=O)CCC(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164425	0	45	-1.0	-47.36	379.34	6.69	-40.67
CSCC[C@H](NC(=O)CCC(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164425	1	45	-1.0	-47.37	379.39	6.71	-40.66
CSCC[C@H](NC(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020164426	0	42	-1.0	-47.34	380.05	6.68	-40.66
CSCC[C@H](NC(=O)C1=CC=C(CCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020164426	1	42	-1.0	-47.30	380.10	6.70	-40.60
CSCC[C@H](NC(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300020164427	0	50	-1.0	-48.47	410.49	5.19	-43.28
CSCC[C@H](NC(=O)CN(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300020164427	1	50	-1.0	-48.45	410.55	5.20	-43.25
CCC(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL300020164428	0	49	-1.0	-45.44	406.18	5.94	-39.50
CCC(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL300020164428	1	49	-1.0	-45.45	406.24	5.95	-39.50
CSCC[C@H](NC(=O)C1=CC=CC2=C1OC(=O)N2)C1=N[N-]N=N1	REAL300020164429	0	36	-1.0	-59.64	328.81	2.06	-57.58
CSCC[C@H](NC(=O)C1=CC=CC2=C1OC(=O)N2)C1=NN=N[N-]1	REAL300020164429	1	36	-1.0	-59.63	328.87	2.08	-57.55
CSCC[C@H](NC(=O)CC1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020164430	0	54	-1.0	-45.38	410.80	7.02	-38.36
CSCC[C@H](NC(=O)CC1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020164430	1	54	-1.0	-45.39	410.86	7.04	-38.35
CSCC[C@H](NC(=O)COC1=CC(C)=CC=C1F)C1=N[N-]N=N1	REAL300020164431	0	40	-1.0	-53.18	358.71	5.38	-47.80
CSCC[C@H](NC(=O)COC1=CC(C)=CC=C1F)C1=NN=N[N-]1	REAL300020164431	1	40	-1.0	-53.21	358.77	5.39	-47.82
CSCC[C@H](NC(=O)COC1=CC(C)=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300020164432	0	43	-1.0	-47.88	385.24	6.32	-41.56
CSCC[C@H](NC(=O)COC1=CC(C)=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300020164432	1	43	-1.0	-47.88	385.30	6.34	-41.54
CSCC[C@H](NC(=O)COC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300020164433	0	47	-1.0	-49.67	393.80	7.14	-42.53
CSCC[C@H](NC(=O)COC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300020164433	1	47	-1.0	-49.68	393.86	7.16	-42.52
CSCC[C@H](NC(=O)CCCOC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300020164434	0	53	-1.0	-49.47	436.26	7.65	-41.82
CSCC[C@H](NC(=O)CCCOC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300020164434	1	53	-1.0	-49.52	436.31	7.66	-41.86
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)C=C1F)C1=N[N-]N=N1	REAL300020164435	0	41	-1.0	-52.27	354.24	4.59	-47.68
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)C=C1F)C1=NN=N[N-]1	REAL300020164435	1	41	-1.0	-52.25	354.30	4.60	-47.65
CCOC(=O)NCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164436	0	43	-1.0	-48.10	377.14	1.22	-46.88
CCOC(=O)NCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164436	1	43	-1.0	-48.11	377.19	1.24	-46.87
CSCC[C@H](NC(=O)CC1CCCCC1(C)C)C1=N[N-]N=N1	REAL300020164437	0	48	-1.0	-45.68	368.73	5.66	-40.02
CSCC[C@H](NC(=O)CC1CCCCC1(C)C)C1=NN=N[N-]1	REAL300020164437	1	48	-1.0	-45.67	368.79	5.67	-40.00
CSCC[C@H](NC(=O)CC1CSCCS1)C1=N[N-]N=N1	REAL300020164438	0	38	-1.0	-48.49	344.53	4.62	-43.87
CSCC[C@H](NC(=O)CC1CSCCS1)C1=NN=N[N-]1	REAL300020164438	1	38	-1.0	-48.51	344.59	4.63	-43.88
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC(C)=C1C)C1=N[N-]N=N1	REAL300020164439	0	44	-1.0	-48.69	384.60	0.25	-48.44
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC(C)=C1C)C1=NN=N[N-]1	REAL300020164439	1	44	-1.0	-48.69	384.66	0.27	-48.42
CSCC[C@H](NC(=O)C1=CC2=C(C=CO2)N1)C1=N[N-]N=N1	REAL300020164440	0	34	-1.0	-47.69	311.72	2.10	-45.59
CSCC[C@H](NC(=O)C1=CC2=C(C=CO2)N1)C1=NN=N[N-]1	REAL300020164440	1	34	-1.0	-47.68	311.78	2.11	-45.57
CSCC[C@H](NC(=O)C1=CC2=CN=CN2C=C1)C1=N[N-]N=N1	REAL300020164441	0	36	-1.0	-49.31	324.74	5.53	-43.78
CSCC[C@H](NC(=O)C1=CC2=CN=CN2C=C1)C1=NN=N[N-]1	REAL300020164441	1	36	-1.0	-49.28	324.80	5.54	-43.74
CSCC[C@H](NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=NN=N[N-]1	REAL300020164441	1	37	0.0	-68.65	328.22	6.04	-62.61
CSCC[C@H](NC(=O)C(C)N1CCSCC1)C1=N[N-]N=N1	REAL300020164442	0	42	-1.0	-45.13	350.94	2.38	-42.75
CSCC[C@H](NC(=O)C(C)N1CCSCC1)C1=NN=N[N-]1	REAL300020164442	1	42	-1.0	-45.14	351.00	2.40	-42.74
CSCC[C@H](NC(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=NN=N[N-]1	REAL300020164443	0	36	-1.0	-49.31	342.02	-0.34	-49.65
CSCC[C@H](NC(=O)C1=NC=C(C(N)=O)C=C1Cl)C1=N[N-]N=N1	REAL300020164443	1	36	-1.0	-49.28	341.96	-0.35	-49.63
CSCC[C@H](NC(=O)C1=C2CCCCN2N=C1)C1=N[N-]N=N1	REAL300020164444	0	40	-1.0	-47.83	341.60	3.47	-44.36
CSCC[C@H](NC(=O)C1=C2CCCCN2N=C1)C1=NN=N[N-]1	REAL300020164444	1	40	-1.0	-47.81	341.66	3.48	-44.33
CSCC[C@H](NC(=O)C1=C(C)C2=CC(C)=CC=C2N1)C1=N[N-]N=N1	REAL300020164445	0	43	-1.0	-45.73	370.27	5.38	-40.35
CSCC[C@H](NC(=O)C1=C(C)C2=CC(C)=CC=C2N1)C1=NN=N[N-]1	REAL300020164445	1	43	-1.0	-45.77	370.33	5.39	-40.38
COC1=CC=C(C2=NNC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C2)C=C1	REAL300020164446	0	44	-1.0	-45.26	388.43	3.41	-41.85
COC1=CC=C(C2=NNC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C2)C=C1	REAL300020164446	1	44	-1.0	-45.29	388.49	3.43	-41.86
CSCC[C@H](NC(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL300020164447	0	39	-1.0	-49.09	375.30	6.63	-42.46
CSCC[C@H](NC(=O)CC1=CSC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL300020164447	1	39	-1.0	-49.11	375.36	6.65	-42.46
CSCC[C@H](NC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020164448	0	56	-1.0	-50.39	438.50	5.38	-45.01
CSCC[C@H](NC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020164448	1	56	-1.0	-50.40	438.56	5.39	-45.01
CSCC[C@H](NC(=O)C1(C)CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020164449	0	56	-1.0	-59.37	440.80	5.75	-53.62
CSCC[C@H](NC(=O)C1(C)CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020164449	1	56	-1.0	-59.37	440.86	5.77	-53.60
CSCC[C@H](NC(=O)C1=CC=C(Cl)N=C1C)C1=N[N-]N=N1	REAL300020164450	0	35	-1.0	-43.11	325.69	3.38	-39.73
CSCC[C@H](NC(=O)C1=CC=C(Cl)N=C1C)C1=NN=N[N-]1	REAL300020164450	1	35	-1.0	-43.08	325.74	3.39	-39.69
CSCC[C@H](NC(=O)C1=C(C)SC(C)=N1)C1=N[N-]N=N1	REAL300020164451	0	35	-1.0	-46.74	323.77	2.60	-44.14
CSCC[C@H](NC(=O)C1=C(C)SC(C)=N1)C1=NN=N[N-]1	REAL300020164451	1	35	-1.0	-46.67	323.83	2.61	-44.06
CSCC[C@H](NC(=O)C1(SC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020164452	0	41	-1.0	-44.41	367.72	6.42	-37.99
CSCC[C@H](NC(=O)C1(SC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020164452	1	41	-1.0	-44.41	367.79	6.43	-37.98
CSCC[C@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)C1=N[N-]N=N1	REAL300020164453	0	46	-1.0	-53.10	392.08	1.01	-52.09
CSCC[C@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)C1=NN=N[N-]1	REAL300020164453	1	46	-1.0	-53.09	392.13	1.03	-52.06
CSCC[C@H](NC(=O)C1=C(C)N(CCC(C)C)N=C1)C1=N[N-]N=N1	REAL300020164454	0	48	-1.0	-46.54	400.48	5.23	-41.31
CSCC[C@H](NC(=O)C1=C(C)N(CCC(C)C)N=C1)C1=NN=N[N-]1	REAL300020164454	1	48	-1.0	-46.57	400.54	5.25	-41.32
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C=C1Br)C1=N[N-]N=N1	REAL300020164455	0	33	-1.0	-41.38	326.47	4.83	-36.55
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C=C1Br)C1=NN=N[N-]1	REAL300020164455	1	33	-1.0	-41.39	326.53	4.85	-36.54
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC=N1	REAL300020164456	0	35	-1.0	-45.19	323.19	2.57	-42.62
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC=N1	REAL300020164456	1	35	-1.0	-45.22	323.24	2.59	-42.63
CSCC[C@H](NC(=O)CCC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020164457	0	39	-1.0	-43.74	355.42	5.67	-38.07
CSCC[C@H](NC(=O)CCC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020164457	1	39	-1.0	-43.76	355.48	5.68	-38.08
CSCC[C@H](NC(=O)CCOC1=CC(C)=CC=C1C(C)C)C1=N[N-]N=N1	REAL300020164458	0	52	-1.0	-46.01	432.05	7.08	-38.93
CSCC[C@H](NC(=O)CCOC1=CC(C)=CC=C1C(C)C)C1=NN=N[N-]1	REAL300020164458	1	52	-1.0	-46.08	432.11	7.10	-38.98
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1C(C)C)C1=N[N-]N=N1	REAL300020164459	0	49	-1.0	-45.78	410.64	6.41	-39.37
CSCC[C@H](NC(=O)CCOC1=CC=CC=C1C(C)C)C1=NN=N[N-]1	REAL300020164459	1	49	-1.0	-45.80	410.70	6.42	-39.38
CSCC[C@H](NC(=O)C1=C2CCCCC2=NN1C)C1=N[N-]N=N1	REAL300020164460	0	43	-1.0	-43.67	366.08	4.13	-39.54
CSCC[C@H](NC(=O)C1=C2CCCCC2=NN1C)C1=NN=N[N-]1	REAL300020164460	1	43	-1.0	-43.65	366.13	4.14	-39.51
CSCC[C@H](NC(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=N[N-]N=N1	REAL300020164461	0	38	-1.0	-47.19	360.09	3.13	-44.06
CSCC[C@H](NC(=O)C1=CSC(C2=CC=NC=C2)=N1)C1=NN=N[N-]1	REAL300020164461	1	38	-1.0	-47.17	360.15	3.15	-44.02
CSCC[C@H](NC(=O)C1=CC(NC(=O)N(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL300020164462	0	45	-1.0	-53.99	398.54	4.33	-49.66
CSCC[C@H](NC(=O)C1=CC(NC(=O)N(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL300020164462	1	45	-1.0	-53.97	398.60	4.34	-49.63
CSCC[C@H](NC(=O)C1=C2N=CNC2=CC=C1)C1=NN=N[N-]1	REAL300020164463	0	36	-1.0	-59.48	322.77	3.91	-55.57
CSCC[C@H](NC(=O)C1=C2N=CNC2=CC=C1)C1=N[N-]N=N1	REAL300020164463	1	36	-1.0	-59.43	322.71	3.89	-55.54
CSCC[C@H](NC(=O)CCCN1C=CC=C1)C1=N[N-]N=N1	REAL300020164464	0	40	-1.0	-49.31	350.85	5.44	-43.87
CSCC[C@H](NC(=O)CCCN1C=CC=C1)C1=NN=N[N-]1	REAL300020164464	1	40	-1.0	-49.31	350.90	5.46	-43.85
CCCC1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCO1	REAL300020164465	0	46	-1.0	-45.08	377.85	4.28	-40.80
CCCC1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCO1	REAL300020164465	1	46	-1.0	-45.04	377.91	4.30	-40.74
CSCC[C@H](NC(=O)CCCC1=CSC=C1)C1=N[N-]N=N1	REAL300020164466	0	39	-1.0	-47.13	355.03	5.28	-41.85
CSCC[C@H](NC(=O)CCCC1=CSC=C1)C1=NN=N[N-]1	REAL300020164466	1	39	-1.0	-47.09	355.09	5.29	-41.80
CSCC[C@H](NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300020164467	0	48	-1.0	-50.84	412.76	2.21	-48.63
CSCC[C@H](NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300020164467	1	48	-1.0	-50.81	412.82	2.23	-48.58
CSCC[C@H](NC(=O)C1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020164468	0	47	-1.0	-58.90	396.06	3.36	-55.54
CSCC[C@H](NC(=O)C1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020164468	1	47	-1.0	-58.91	396.12	3.38	-55.53
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C=CN=N1)C1=NN=N[N-]1	REAL300020164469	0	39	-1.0	-59.42	349.00	3.95	-55.47
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C=CN=N1)C1=N[N-]N=N1	REAL300020164469	1	39	-1.0	-59.44	348.94	3.93	-55.51
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC1CCCC1	REAL300020164470	0	51	-1.0	-48.49	421.71	6.22	-42.27
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC1CCCC1	REAL300020164470	1	51	-1.0	-48.48	421.76	6.23	-42.25
CSCC[C@H](NC(=O)COCC(F)(F)F)C1=N[N-]N=N1	REAL300020164471	0	33	-1.0	-50.94	316.29	2.56	-48.38
CSCC[C@H](NC(=O)COCC(F)(F)F)C1=NN=N[N-]1	REAL300020164471	1	33	-1.0	-50.94	316.35	2.57	-48.37
CSCC[C@H](NC(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=NN=N[N-]1	REAL300020164472	0	42	-1.0	-52.10	391.72	5.57	-46.53
CSCC[C@H](NC(=O)CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=N[N-]N=N1	REAL300020164472	1	42	-1.0	-52.05	391.66	5.56	-46.49
COC1=CC2=NNN=C2C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164473	0	39	-1.0	-48.49	344.35	1.93	-46.56
COC1=CC2=NNN=C2C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164473	1	39	-1.0	-48.52	344.41	1.95	-46.57
CSCC[C@H](NC(=O)C1(C)CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300020164474	0	45	0.0	-52.16	354.98	4.57	-47.59
CSCC[C@H](NC(=O)C1(C)CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300020164474	1	45	0.0	-52.15	355.04	4.59	-47.56
CSCC[C@H](NC(=O)C1=NC2=NNN=C2C=C1)C1=N[N-]N=N1	REAL300020164475	0	34	-1.0	-45.99	314.58	0.72	-45.27
CSCC[C@H](NC(=O)C1=NC2=NNN=C2C=C1)C1=NN=N[N-]1	REAL300020164475	1	34	-1.0	-46.02	314.64	0.74	-45.28
CSCC[C@H](NC(=O)CC1=CC=C2CC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020164476	0	41	-1.0	-48.61	364.12	3.21	-45.40
CSCC[C@H](NC(=O)CC1=CC=C2CC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020164476	1	41	-1.0	-48.64	364.18	3.22	-45.42
CSCC[C@H](NC(=O)C=CC1=CN=CC=C1C)C1=N[N-]N=N1	REAL300020164477	0	39	-1.0	-46.91	344.79	4.03	-42.88
CSCC[C@H](NC(=O)C=CC1=CN=CC=C1C)C1=NN=N[N-]1	REAL300020164477	1	39	-1.0	-46.91	344.85	4.05	-42.86
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)ON=C1C)C1=NN=N[N-]1	REAL300020164478	0	42	-1.0	-45.16	372.82	5.48	-39.68
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)ON=C1C)C1=N[N-]N=N1	REAL300020164478	1	42	-1.0	-45.16	372.76	5.45	-39.71
CCC(C)(C)[NH2+]C(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164479	0	47	0.0	-54.77	361.79	2.99	-51.78
CCC(C)(C)[NH2+]C(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164479	1	47	0.0	-54.71	361.85	3.00	-51.71
CSCC[C@H](NC(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020164480	0	50	-1.0	-49.43	416.69	7.43	-42.00
CSCC[C@H](NC(=O)C1CCN2C(=CN=C2C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020164480	1	50	-1.0	-49.39	416.75	7.45	-41.94
CCCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020164481	0	49	-1.0	-47.94	416.57	7.14	-40.80
CCCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020164481	1	49	-1.0	-47.93	416.63	7.16	-40.77
CSCC[C@H](NC(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=NN=N[N-]1	REAL300020164482	0	43	-1.0	-43.22	394.29	3.91	-39.31
CSCC[C@H](NC(=O)C1=CN=C(OCC2CC2)C(Cl)=C1)C1=N[N-]N=N1	REAL300020164482	1	43	-1.0	-43.23	394.23	3.89	-39.34
CSCC[C@H](NC(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=N[N-]N=N1	REAL300020164483	0	42	-1.0	-49.69	394.53	5.64	-44.05
CSCC[C@H](NC(=O)C1=CSC(CC2=CC=CC(F)=C2)=N1)C1=NN=N[N-]1	REAL300020164483	1	42	-1.0	-49.70	394.58	5.65	-44.05
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020164484	0	39	-1.0	-42.35	353.18	5.53	-36.82
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020164484	1	39	-1.0	-42.34	353.24	5.55	-36.79
COC(=O)CCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164485	0	38	-1.0	-53.25	339.10	3.36	-49.89
COC(=O)CCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164485	1	38	-1.0	-53.28	339.16	3.37	-49.91
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)N=NN2C)C1=NN=N[N-]1	REAL300020164486	0	37	-1.0	-46.19	336.60	1.73	-44.46
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)N=NN2C)C1=N[N-]N=N1	REAL300020164486	1	37	-1.0	-46.16	336.54	1.71	-44.45
CSCC[C@H](NC(=O)C1=CC=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL300020164487	0	39	-1.0	-45.55	342.49	4.34	-41.21
CSCC[C@H](NC(=O)C1=CC=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL300020164487	1	39	-1.0	-45.53	342.55	4.36	-41.17
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020164488	0	44	-1.0	-55.84	398.49	6.03	-49.81
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020164488	1	44	-1.0	-55.83	398.55	6.05	-49.78
CO[C@@H](C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020164489	0	40	-1.0	-47.21	353.97	4.92	-42.29
CO[C@@H](C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020164489	1	40	-1.0	-47.22	354.03	4.93	-42.29
CSCC[C@H](NC(=O)C1=CC=C(C)C(C)=C1Cl)C1=N[N-]N=N1	REAL300020164490	0	39	-1.0	-48.55	345.74	5.71	-42.84
CSCC[C@H](NC(=O)C1=CC=C(C)C(C)=C1Cl)C1=NN=N[N-]1	REAL300020164490	1	39	-1.0	-48.54	345.80	5.72	-42.82
CSCC[C@H](NC(=O)C1=CC2=NSN=C2C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020164491	0	36	-1.0	-47.66	348.92	3.22	-44.44
CSCC[C@H](NC(=O)C1=CC2=NSN=C2C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020164491	1	36	-1.0	-47.67	348.86	3.20	-44.47
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1)C1=NN=N[N-]1	REAL300020164492	0	43	-1.0	-47.90	386.69	6.26	-41.64
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1)C1=N[N-]N=N1	REAL300020164492	1	43	-1.0	-47.88	386.63	6.24	-41.64
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164493	0	45	-1.0	-46.23	404.37	7.42	-38.81
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164493	1	45	-1.0	-46.22	404.42	7.43	-38.79
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020164494	0	43	-1.0	-51.54	379.43	2.76	-48.78
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020164494	1	43	-1.0	-51.50	379.48	2.77	-48.73
CSCC[C@H](NC(=O)C1=CC2=NNN=C2N=C1)C1=N[N-]N=N1	REAL300020164495	0	34	-1.0	-45.71	312.41	0.64	-45.07
CSCC[C@H](NC(=O)C1=CC2=NNN=C2N=C1)C1=NN=N[N-]1	REAL300020164495	1	34	-1.0	-45.75	312.46	0.66	-45.09
CSCC[C@H](NC(=O)C1CCCCS1)C1=N[N-]N=N1	REAL300020164496	0	37	-1.0	-48.63	325.08	4.07	-44.56
CSCC[C@H](NC(=O)C1CCCCS1)C1=NN=N[N-]1	REAL300020164496	1	37	-1.0	-48.64	325.14	4.08	-44.56
CSCC[C@H](NC(=O)CN1C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020164497	0	39	-1.0	-53.18	349.87	5.83	-47.35
CSCC[C@H](NC(=O)CN1C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020164497	1	39	-1.0	-53.18	349.93	5.84	-47.34
CCC1=NC2=CC=CC=C2N1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164498	0	45	-1.0	-53.22	388.49	6.16	-47.06
CCC1=NC2=CC=CC=C2N1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164498	1	45	-1.0	-53.24	388.54	6.18	-47.06
CSCC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1=N[N-]N=N1	REAL300020164499	0	36	-1.0	-53.84	339.04	2.11	-51.73
CSCC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1=NN=N[N-]1	REAL300020164499	1	36	-1.0	-53.89	339.10	2.12	-51.77
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CS2)S1)C1=N[N-]N=N1	REAL300020164500	0	37	-1.0	-45.55	360.86	5.98	-39.57
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CS2)S1)C1=NN=N[N-]1	REAL300020164500	1	37	-1.0	-45.53	360.92	6.00	-39.53
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C1=N[N-]N=N1	REAL300020164501	0	45	-1.0	-59.17	373.56	3.54	-55.63
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C1=NN=N[N-]1	REAL300020164501	1	45	-1.0	-59.16	373.62	3.56	-55.60
CSCC[C@H](NC(=O)C1=CC=C(SC2CC2)C=C1)C1=N[N-]N=N1	REAL300020164502	0	41	-1.0	-45.84	368.67	6.73	-39.11
CSCC[C@H](NC(=O)C1=CC=C(SC2CC2)C=C1)C1=NN=N[N-]1	REAL300020164502	1	41	-1.0	-45.85	368.73	6.74	-39.11
CCC(C)CCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164503	0	47	-1.0	-45.30	383.94	6.05	-39.25
CCC(C)CCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164503	1	47	-1.0	-45.32	384.00	6.06	-39.26
CSCC[C@H](NC(=O)C1=CC2=NNN=C2C=C1F)C1=N[N-]N=N1	REAL300020164504	0	35	-1.0	-47.60	321.81	1.44	-46.16
CSCC[C@H](NC(=O)C1=CC2=NNN=C2C=C1F)C1=NN=N[N-]1	REAL300020164504	1	35	-1.0	-47.59	321.87	1.45	-46.14
CSCC[C@H](NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020164505	0	55	0.0	-62.48	431.47	8.14	-54.34
CSCC[C@H](NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020164505	1	55	0.0	-62.48	431.53	8.16	-54.32
CCCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C1CCCC1	REAL300020164506	0	52	-1.0	-47.15	426.58	6.72	-40.43
CCCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C1CCCC1	REAL300020164506	1	52	-1.0	-47.14	426.63	6.74	-40.40
CSCC[C@H](NC(=O)C1=CN=C(OCC(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020164507	0	45	-1.0	-43.10	404.21	3.81	-39.29
CSCC[C@H](NC(=O)C1=CN=C(OCC(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020164507	1	45	-1.0	-43.11	404.15	3.80	-39.31
CSCC[C@H](NC(=O)C1=NC=CN=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164508	0	42	-1.0	-50.43	387.94	4.85	-45.58
CSCC[C@H](NC(=O)C1=NC=CN=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164508	1	42	-1.0	-50.40	387.89	4.83	-45.57
CSCC[C@H](NC(=O)CCCCC1=NNN=C1)C1=N[N-]N=N1	REAL300020164509	0	41	-1.0	-48.24	360.34	2.19	-46.05
CSCC[C@H](NC(=O)CCCCC1=NNN=C1)C1=NN=N[N-]1	REAL300020164509	1	41	-1.0	-48.25	360.40	2.21	-46.04
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(F)C(C)=C2)C1)C1=N[N-]N=N1	REAL300020164510	0	47	-1.0	-44.60	403.53	5.71	-38.89
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(F)C(C)=C2)C1)C1=NN=N[N-]1	REAL300020164510	1	47	-1.0	-44.63	403.59	5.73	-38.90
CSCC[C@H](NC(=O)C1=C(C2CC2)ON=C1C)C1=N[N-]N=N1	REAL300020164511	0	39	-1.0	-44.79	352.59	4.49	-40.30
CSCC[C@H](NC(=O)C1=C(C2CC2)ON=C1C)C1=NN=N[N-]1	REAL300020164511	1	39	-1.0	-44.80	352.64	4.50	-40.30
CCC(CC)N1N=C(C)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164512	0	48	-1.0	-44.60	400.38	5.47	-39.13
CCC(CC)N1N=C(C)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164512	1	48	-1.0	-44.62	400.44	5.48	-39.14
CSCC[C@H](NC(=O)CC1=C(C)C=C(C)C=C1C)C1=N[N-]N=N1	REAL300020164513	0	45	-1.0	-47.38	377.66	6.45	-40.93
CSCC[C@H](NC(=O)CC1=C(C)C=C(C)C=C1C)C1=NN=N[N-]1	REAL300020164513	1	45	-1.0	-47.37	377.72	6.47	-40.90
CSCC[C@H](NC(=O)C(C)CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164514	0	48	-1.0	-46.20	402.72	7.65	-38.55
CSCC[C@H](NC(=O)C(C)CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164514	1	48	-1.0	-46.19	402.78	7.66	-38.53
COCCCOCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164515	0	40	-1.0	-50.48	351.89	1.98	-48.50
COCCCOCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164515	1	40	-1.0	-50.48	351.95	1.99	-48.49
CSCC[C@H](NC(=O)C1CCC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL300020164516	0	40	-1.0	-47.05	359.77	6.33	-40.72
CSCC[C@H](NC(=O)C1CCC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL300020164516	1	40	-1.0	-47.06	359.82	6.34	-40.72
CCCCCC(CC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164517	0	47	-1.0	-45.63	381.74	6.14	-39.49
CCCCCC(CC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164517	1	47	-1.0	-45.62	381.80	6.16	-39.46
CSCC[C@H](NC(=O)C(C)CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020164518	0	45	-1.0	-45.70	380.34	6.72	-38.98
CSCC[C@H](NC(=O)C(C)CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020164518	1	45	-1.0	-45.73	380.40	6.74	-38.99
CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCOCC1	REAL300020164519	0	43	-1.0	-45.49	344.03	2.81	-42.68
CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCOCC1	REAL300020164519	1	43	-1.0	-45.52	344.08	2.82	-42.70
CSCC[C@H](NC(=O)C1=C(Cl)C=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL300020164520	0	39	-1.0	-57.67	362.46	3.04	-54.63
CSCC[C@H](NC(=O)C1=C(Cl)C=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL300020164520	1	39	-1.0	-57.68	362.52	3.06	-54.62
CSCC[C@H](NC(=O)C1=C(C)N2C=NC=C2C=C1)C1=N[N-]N=N1	REAL300020164521	0	39	-1.0	-47.83	346.63	5.73	-42.10
CSCC[C@H](NC(=O)C1=C(C)N2C=[NH+]C=C2C=C1)C1=NN=N[N-]1	REAL300020164521	1	40	0.0	-62.31	341.87	6.39	-55.92
CSCC[C@H](NC(=O)C1=C(C)N2C=NC=C2C=C1)C1=NN=N[N-]1	REAL300020164521	1	39	-1.0	-47.84	346.69	5.75	-42.09
CSCC[C@H](NC(=O)C1=CC2=C(N(C)C)N=CN=C2N1C)C1=N[N-]N=N1	REAL300020164522	0	46	-1.0	-46.72	389.72	4.90	-41.82
CSCC[C@H](NC(=O)C1=CC2=C(N(C)C)N=CN=C2N1C)C1=NN=N[N-]1	REAL300020164522	1	46	-1.0	-46.66	389.79	4.91	-41.75
CSCC[C@H](NC(=O)CCC1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL300020164523	0	43	-1.0	-48.24	374.92	5.61	-42.63
CSCC[C@H](NC(=O)CCC1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL300020164523	1	43	-1.0	-48.23	374.98	5.62	-42.61
CSCC[C@H](NC(=O)C1=NN(C(F)F)C=C1)C1=NN=N[N-]1	REAL300020164524	0	33	-1.0	-46.02	316.53	2.10	-43.92
CSCC[C@H](NC(=O)C1=NN(C(F)F)C=C1)C1=N[N-]N=N1	REAL300020164524	1	33	-1.0	-46.04	316.47	2.08	-43.96
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL300020164525	0	46	-1.0	-47.08	387.80	5.21	-41.87
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL300020164525	1	46	-1.0	-47.06	387.86	5.23	-41.83
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2F)CCC1)C1=N[N-]N=N1	REAL300020164526	0	43	-1.0	-42.11	365.42	6.90	-35.21
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2F)CCC1)C1=NN=N[N-]1	REAL300020164526	1	43	-1.0	-42.07	365.48	6.91	-35.16
CSCC[C@H](NC(=O)CC(C)C(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020164527	0	44	-1.0	-42.69	395.97	6.41	-36.28
CSCC[C@H](NC(=O)CC(C)C(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020164527	1	44	-1.0	-42.69	396.03	6.43	-36.26
CSCC[C@H](NC(=O)CCCC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020164528	0	48	-1.0	-49.58	411.17	8.61	-40.97
CSCC[C@H](NC(=O)CCCC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020164528	1	48	-1.0	-49.58	411.23	8.62	-40.96
C=CCCOCCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164529	0	46	-1.0	-45.51	394.98	4.73	-40.78
C=CCCOCCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164529	1	46	-1.0	-45.56	395.04	4.74	-40.82
CSCC[C@H](NC(=O)C(NS(C)(=O)=O)C(C)C)C1=N[N-]N=N1	REAL300020164530	0	43	-1.0	-51.05	371.02	-0.45	-51.50
CSCC[C@H](NC(=O)C(NS(C)(=O)=O)C(C)C)C1=NN=N[N-]1	REAL300020164530	1	43	-1.0	-51.09	371.08	-0.45	-51.54
CSCC[C@H](NC(=O)C1=CC(=O)NC(C(C)C)=C1)C1=N[N-]N=N1	REAL300020164531	0	42	-1.0	-50.80	363.19	2.99	-47.81
CSCC[C@H](NC(=O)C1=CC(=O)NC(C(C)C)=C1)C1=NN=N[N-]1	REAL300020164531	1	42	-1.0	-50.83	363.25	3.00	-47.83
CSCC[C@H](NC(=O)C1=CC=CC=C1COC(C)(C)C)C1=N[N-]N=N1	REAL300020164532	0	49	-1.0	-47.17	401.56	6.14	-41.03
CSCC[C@H](NC(=O)C1=CC=CC=C1COC(C)(C)C)C1=NN=N[N-]1	REAL300020164532	1	49	-1.0	-47.19	401.62	6.15	-41.04
CCC(C)N1N=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020164533	0	45	-1.0	-50.21	382.91	4.54	-45.67
CCC(C)N1N=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020164533	1	45	-1.0	-50.16	382.97	4.56	-45.60
CSCC[C@H](NC(=O)C1=CN=C2SC(C)=C(C)N2C1=O)C1=N[N-]N=N1	REAL300020164534	0	41	-1.0	-54.30	366.50	4.67	-49.63
COCCCC(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164535	0	42	-1.0	-45.67	354.99	2.92	-42.75
COCCCC(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164535	1	42	-1.0	-45.62	355.05	2.93	-42.69
CSCC[C@H](NC(=O)C(F)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164536	0	39	-1.0	-43.22	349.84	5.57	-37.65
CSCC[C@H](NC(=O)C(F)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164536	1	39	-1.0	-43.23	349.90	5.59	-37.64
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL300020164537	0	33	-2.0	-109.13	318.83	4.15	-104.98
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL300020164537	1	33	-2.0	-109.13	318.89	4.16	-104.97
COC1=CC=C(SC)C(OC)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164538	0	45	-1.0	-54.05	397.85	3.79	-50.26
COC1=CC=C(SC)C(OC)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164538	1	45	-1.0	-54.05	397.90	3.81	-50.24
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020164539	0	43	-1.0	-48.68	394.37	6.17	-42.51
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(Cl)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020164539	1	43	-1.0	-48.69	394.43	6.18	-42.51
CSCC[C@H](NC(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=N[N-]N=N1	REAL300020164540	0	40	-1.0	-48.52	361.35	2.36	-46.16
CSCC[C@H](NC(=O)C1=CC=C(C2=CN=CC=N2)C=N1)C1=NN=N[N-]1	REAL300020164540	1	40	-1.0	-48.53	361.41	2.38	-46.15
CSCC[C@H](NC(=O)C1=CN=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020164541	0	38	-1.0	-46.51	343.33	-1.76	-48.27
CSCC[C@H](NC(=O)C1=CN=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020164541	1	38	-1.0	-46.50	343.28	-1.78	-48.28
CSCC[C@H](NC(=O)CC1=CC=C(C)C(O)=C1)C1=N[N-]N=N1	REAL300020164542	0	40	-1.0	-46.81	353.26	2.66	-44.15
CSCC[C@H](NC(=O)CC1=CC=C(C)C(O)=C1)C1=NN=N[N-]1	REAL300020164542	1	40	-1.0	-46.81	353.32	2.68	-44.13
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(C#N)=C1)C1=N[N-]N=N1	REAL300020164543	0	34	-1.0	-45.87	333.73	4.89	-40.98
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(C#N)=C1)C1=NN=N[N-]1	REAL300020164543	1	34	-1.0	-45.86	333.78	4.91	-40.95
CSCC[C@H](NC(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020164544	0	40	-1.0	-47.11	383.73	4.30	-42.81
CSCC[C@H](NC(=O)CC(O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020164544	1	40	-1.0	-47.13	383.78	4.32	-42.81
CSCC[C@H](NC(=O)CSC1=NN=NN1C)C1=NN=N[N-]1	REAL300020164545	0	35	-1.0	-45.54	335.44	1.37	-44.17
CSCC[C@H](NC(=O)CSC1=NN=NN1C)C1=N[N-]N=N1	REAL300020164545	1	35	-1.0	-45.56	335.38	1.35	-44.21
CSCC[C@H](NC(=O)CC(O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020164546	0	40	-1.0	-47.31	367.17	3.77	-43.54
CSCC[C@H](NC(=O)CC(O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020164546	1	40	-1.0	-47.29	367.23	3.79	-43.50
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(C)N=C1)C1=NN=N[N-]1	REAL300020164547	0	43	-1.0	-48.20	371.33	5.09	-43.11
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(C)N=C1)C1=N[N-]N=N1	REAL300020164547	1	43	-1.0	-48.14	371.27	5.07	-43.07
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020164548	0	39	-1.0	-45.83	362.78	5.57	-40.26
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020164548	1	39	-1.0	-45.84	362.83	5.59	-40.25
CSCC[C@H](NC(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020164549	0	45	-1.0	-46.56	388.75	6.42	-40.14
CSCC[C@H](NC(=O)C1=CC=NC(SC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020164549	1	45	-1.0	-46.56	388.70	6.41	-40.15
CCC1=CC=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164550	0	38	-1.0	-47.63	337.73	3.79	-43.84
CCC1=CC=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164550	1	38	-1.0	-47.61	337.78	3.80	-43.81
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL300020164551	0	36	-1.0	-44.44	348.74	5.59	-38.85
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL300020164551	1	36	-1.0	-44.43	348.80	5.60	-38.83
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1CC	REAL300020164552	0	45	-1.0	-47.20	374.50	6.64	-40.56
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1CC	REAL300020164552	1	45	-1.0	-47.23	374.56	6.66	-40.57
CSCC[C@H](NC(=O)CC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL300020164553	0	42	-1.0	-47.21	356.25	5.80	-41.41
CSCC[C@H](NC(=O)CC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL300020164553	1	42	-1.0	-47.20	356.31	5.81	-41.39
CSCC[C@H](NC(=O)CC1=CC=CC=C1CC#N)C1=N[N-]N=N1	REAL300020164554	0	40	-1.0	-45.16	358.73	5.63	-39.53
CSCC[C@H](NC(=O)CC1=CC=CC=C1CC#N)C1=NN=N[N-]1	REAL300020164554	1	40	-1.0	-45.17	358.79	5.64	-39.53
CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCN1C(=O)OC(C)(C)C	REAL300020164555	0	56	-1.0	-54.08	436.57	6.62	-47.46
CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300020164555	1	56	-1.0	-53.99	436.63	6.63	-47.36
CSCC[C@H](NC(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=NN=N[N-]1	REAL300020164556	0	39	-1.0	-48.10	370.14	3.70	-44.40
CSCC[C@H](NC(=O)C1=COC(C2=CC=CC=C2Cl)=N1)C1=N[N-]N=N1	REAL300020164556	1	39	-1.0	-48.05	370.09	3.69	-44.36
CSCC[C@H](NC(=O)C1=C(C)C2=C(N)N=C(C)N=C2S1)C1=N[N-]N=N1	REAL300020164557	0	42	-1.0	-45.64	372.09	3.05	-42.59
CSCC[C@H](NC(=O)C1=C(C)C2=C(N)N=C(C)N=C2S1)C1=NN=N[N-]1	REAL300020164557	1	42	-1.0	-45.62	372.15	3.07	-42.55
CSCC[C@H](NC(=O)C1=C(C)N=C(N)N=C1C)C1=N[N-]N=N1	REAL300020164558	0	39	-1.0	-44.53	345.99	2.35	-42.18
CSCC[C@H](NC(=O)C1=C(C)N=C(N)N=C1C)C1=NN=N[N-]1	REAL300020164558	1	39	-1.0	-44.55	346.04	2.36	-42.19
CSCC[C@H](NC(=O)C1=CC=CC=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300020164559	0	37	-1.0	-49.93	341.35	5.12	-44.81
CSCC[C@H](NC(=O)C1=CC=CC=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300020164559	1	37	-1.0	-49.90	341.41	5.14	-44.76
CSCC[C@H](NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1C)C1=N[N-]N=N1	REAL300020164560	0	45	-1.0	-51.59	400.91	1.44	-50.15
CSCC[C@H](NC(=O)C1=CC(S(=O)(=O)N(C)C)=CN1C)C1=NN=N[N-]1	REAL300020164560	1	45	-1.0	-51.61	400.97	1.46	-50.15
CSCC[C@H](NC(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=N[N-]N=N1	REAL300020164561	0	44	-1.0	-50.76	397.27	5.53	-45.23
CSCC[C@H](NC(=O)C1CC(=O)N(C2=C(F)C=CC=C2F)C1)C1=NN=N[N-]1	REAL300020164561	1	44	-1.0	-50.78	397.33	5.55	-45.23
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020164562	0	38	-1.0	-42.17	360.03	5.54	-36.63
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020164562	1	38	-1.0	-42.15	359.97	5.53	-36.62
CSCC[C@H](NC(=O)CC1=CC=CC=C1SC)C1=N[N-]N=N1	REAL300020164563	0	40	-1.0	-49.42	359.63	5.67	-43.75
CSCC[C@H](NC(=O)CC1=CC=CC=C1SC)C1=NN=N[N-]1	REAL300020164563	1	40	-1.0	-49.41	359.68	5.68	-43.73
COCCOC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=N1	REAL300020164564	0	43	-1.0	-49.57	380.45	1.03	-48.54
COCCOC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=N1	REAL300020164564	1	43	-1.0	-49.58	380.39	1.01	-48.57
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)C=C1F)C1=N[N-]N=N1	REAL300020164565	0	38	-1.0	-49.41	342.57	4.56	-44.85
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)C=C1F)C1=NN=N[N-]1	REAL300020164565	1	38	-1.0	-49.36	342.62	4.57	-44.79
COC1=NC(C)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164566	0	39	-1.0	-51.48	344.15	2.67	-48.81
COC1=NC(C)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164566	1	39	-1.0	-51.49	344.21	2.68	-48.81
CSCC[C@H](NC(=O)C=C1CCSCC1)C1=N[N-]N=N1	REAL300020164567	0	38	-1.0	-45.04	333.01	4.49	-40.55
CSCC[C@H](NC(=O)C=C1CCSCC1)C1=NN=N[N-]1	REAL300020164567	1	38	-1.0	-45.04	333.06	4.50	-40.54
CCCC(CCC)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164568	0	47	-1.0	-45.28	379.62	5.95	-39.33
CCCC(CCC)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164568	1	47	-1.0	-45.27	379.68	5.96	-39.31
CSCC[C@H](NC(=O)CCCC(F)(F)F)C1=N[N-]N=N1	REAL300020164569	0	35	-1.0	-47.86	323.28	3.71	-44.15
CSCC[C@H](NC(=O)CCCC(F)(F)F)C1=NN=N[N-]1	REAL300020164569	1	35	-1.0	-47.87	323.34	3.72	-44.15
CCCC(=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)CCC	REAL300020164570	0	45	-1.0	-44.55	374.90	6.11	-38.44
CCCC(=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)CCC	REAL300020164570	1	45	-1.0	-44.57	374.96	6.12	-38.45
COCC1=NN=C(C2=CC=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C2)O1	REAL300020164571	0	45	-1.0	-56.62	404.09	-0.20	-56.82
COCC1=NN=C(C2=CC=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C2)O1	REAL300020164571	1	45	-1.0	-56.64	404.14	-0.19	-56.83
CSCC[C@H](NC(=O)C1=CN=C2SC=C(C)N2C1=O)C1=N[N-]N=N1	REAL300020164572	0	38	-1.0	-55.32	347.69	3.98	-51.34
CSCC[C@H](NC(=O)CC(C)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020164573	0	45	-1.0	-47.02	394.43	7.27	-39.75
CSCC[C@H](NC(=O)CC(C)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020164573	1	45	-1.0	-47.03	394.48	7.29	-39.74
CSCC[C@H](NC(=O)C(O)C(O)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020164574	0	43	-1.0	-50.42	392.54	0.34	-50.08
CSCC[C@H](NC(=O)C(O)C(O)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020164574	1	43	-1.0	-50.42	392.59	0.35	-50.07
CSCC[C@H](NC(=O)C=CC1=CC=C(O)C(O)=C1)C1=N[N-]N=N1	REAL300020164575	0	39	-1.0	-50.04	353.79	0.37	-49.67
CSCC[C@H](NC(=O)C=CC1=CC=C(O)C(O)=C1)C1=NN=N[N-]1	REAL300020164575	1	39	-1.0	-50.01	353.85	0.39	-49.62
CSCC[C@H](NC(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=N[N-]N=N1	REAL300020164576	0	38	-1.0	-56.21	348.44	-0.00	-56.21
CSCC[C@H](NC(=O)C1=CC=CC(C2=NN=CO2)=C1)C1=NN=N[N-]1	REAL300020164576	1	38	-1.0	-56.24	348.50	0.02	-56.22
CSCC[C@H](NC(=O)C1=CC=C(O)C(C)=C1)C1=N[N-]N=N1	REAL300020164577	0	37	-1.0	-46.75	328.55	2.01	-44.74
CSCC[C@H](NC(=O)C1=CC=C(O)C(C)=C1)C1=NN=N[N-]1	REAL300020164577	1	37	-1.0	-46.73	328.61	2.03	-44.70
CSCC[C@H](NC(=O)C1=CC=C2C=CNC2=N1)C1=N[N-]N=N1	REAL300020164578	0	36	-1.0	-49.73	325.95	3.44	-46.29
CSCC[C@H](NC(=O)C1=CC=C2C=CNC2=N1)C1=NN=N[N-]1	REAL300020164578	1	36	-1.0	-49.74	326.01	3.45	-46.29
CSCC[C@H](NC(=O)C1=C(C)C=CNC1=O)C1=N[N-]N=N1	REAL300020164579	0	36	-1.0	-58.07	315.51	1.99	-56.08
CSCC[C@H](NC(=O)C1=C(C)C=CNC1=O)C1=NN=N[N-]1	REAL300020164579	1	36	-1.0	-58.09	315.57	2.01	-56.08
CSCC[C@H](NC(=O)C1=CC(C)=CC(O)=C1)C1=N[N-]N=N1	REAL300020164580	0	37	-1.0	-46.35	329.96	1.89	-44.46
CSCC[C@H](NC(=O)C1=CC(C)=CC(O)=C1)C1=NN=N[N-]1	REAL300020164580	1	37	-1.0	-46.36	330.02	1.91	-44.45
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL300020164581	0	38	-1.0	-52.10	340.97	4.60	-47.50
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL300020164581	1	38	-1.0	-52.09	340.91	4.58	-47.51
CSCC[C@H](NC(=O)C(NC(=O)C1CCCC1)C(C)O)C1=N[N-]N=N1	REAL300020164582	0	50	-1.0	-44.39	406.60	0.55	-43.84
CSCC[C@H](NC(=O)C(NC(=O)C1CCCC1)C(C)O)C1=NN=N[N-]1	REAL300020164582	1	50	-1.0	-44.36	406.66	0.56	-43.80
CSCC[C@H](NC(=O)C(NC(=O)C1CC1)C(C)O)C1=N[N-]N=N1	REAL300020164583	0	44	-1.0	-44.94	374.06	-0.56	-45.50
CSCC[C@H](NC(=O)C(NC(=O)C1CC1)C(C)O)C1=NN=N[N-]1	REAL300020164583	1	44	-1.0	-44.94	374.11	-0.55	-45.49
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)SC(C)=N1)C1=N[N-]N=N1	REAL300020164584	0	42	-1.0	-47.86	383.47	5.63	-42.23
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)SC(C)=N1)C1=NN=N[N-]1	REAL300020164584	1	42	-1.0	-47.89	383.53	5.64	-42.25
CSCC[C@H](NC(=O)CCC(C)SC)C1=N[N-]N=N1	REAL300020164585	0	39	-1.0	-47.13	344.62	4.30	-42.83
CSCC[C@H](NC(=O)CCC(C)SC)C1=NN=N[N-]1	REAL300020164585	1	39	-1.0	-47.13	344.68	4.32	-42.81
COC1=C(C)C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020164586	0	43	-1.0	-45.70	371.03	5.00	-40.70
COC1=C(C)C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020164586	1	43	-1.0	-45.65	371.08	5.01	-40.64
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1O)C1=N[N-]N=N1	REAL300020164587	0	37	-1.0	-44.41	345.04	3.61	-40.80
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1O)C1=NN=N[N-]1	REAL300020164587	1	37	-1.0	-44.40	345.10	3.63	-40.77
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300020164587	1	36	-2.0	-105.92	341.47	4.62	-101.30
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300020164587	1	36	-2.0	-105.96	341.53	4.64	-101.32
CSCC[C@H](NC(=O)C1=CC=C2C=CC=NN21)C1=NN=N[N-]1	REAL300020164588	0	36	-1.0	-55.23	324.59	4.12	-51.11
CSCC[C@H](NC(=O)C1=CC=C2C=CC=NN21)C1=N[N-]N=N1	REAL300020164588	1	36	-1.0	-55.24	324.53	4.11	-51.13
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC(C(C)C)=C2)O1)C1=N[N-]N=N1	REAL300020164589	0	49	-1.0	-46.29	421.41	7.75	-38.54
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC(C(C)C)=C2)O1)C1=NN=N[N-]1	REAL300020164589	1	49	-1.0	-46.30	421.46	7.77	-38.53
CSCC[C@H](NC(=O)C1=CC=C(F)C(Cl)=C1F)C1=N[N-]N=N1	REAL300020164590	0	33	-1.0	-48.04	324.09	4.70	-43.34
CSCC[C@H](NC(=O)C1=CC=C(F)C(Cl)=C1F)C1=NN=N[N-]1	REAL300020164590	1	33	-1.0	-48.04	324.15	4.72	-43.32
CSCC[C@H](NC(=O)C1=CC=C(O)C=C1F)C1=N[N-]N=N1	REAL300020164591	0	34	-1.0	-51.11	313.05	1.33	-49.78
CSCC[C@H](NC(=O)C1=CC=C(O)C=C1F)C1=NN=N[N-]1	REAL300020164591	1	34	-1.0	-51.11	313.11	1.34	-49.77
CSCC[C@H](NC(=O)C1=CC=C([O-])C=C1F)C1=N[N-]N=N1	REAL300020164591	1	33	-2.0	-92.42	309.48	2.10	-90.32
CSCC[C@H](NC(=O)C1=CC=C([O-])C=C1F)C1=NN=N[N-]1	REAL300020164591	1	33	-2.0	-92.42	309.54	2.11	-90.31
CSCC[C@H](NC(=O)C1=CN=CN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164592	0	41	-1.0	-46.22	361.22	5.63	-40.59
CSCC[C@H](NC(=O)C1=CN=CN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164592	1	41	-1.0	-46.19	361.17	5.62	-40.57
CSCC[C@H](NC(=O)C1=C(Br)N=CS1)C1=NN=N[N-]1	REAL300020164593	0	29	-1.0	-46.31	302.67	1.77	-44.54
CSCC[C@H](NC(=O)C1=C(Br)N=CS1)C1=N[N-]N=N1	REAL300020164593	1	29	-1.0	-46.25	302.61	1.76	-44.49
CSCC[C@H](NC(=O)C(C)N1N=NN=C1C(C)(C)C)C1=NN=N[N-]1	REAL300020164594	0	46	-1.0	-57.04	383.90	3.10	-53.94
CSCC[C@H](NC(=O)C(C)N1N=NN=C1C(C)(C)C)C1=N[N-]N=N1	REAL300020164594	1	46	-1.0	-57.01	383.84	3.08	-53.93
CSCC[C@H](NC(=O)C1=CSC(NC2CC2)=N1)C1=NN=N[N-]1	REAL300020164595	0	38	-1.0	-46.01	353.53	2.81	-43.20
CSCC[C@H](NC(=O)C1=CSC(NC2CC2)=N1)C1=N[N-]N=N1	REAL300020164595	1	38	-1.0	-46.03	353.47	2.80	-43.23
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020164596	0	43	-1.0	-48.98	384.04	5.72	-43.26
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020164596	1	43	-1.0	-49.00	384.10	5.73	-43.27
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(C)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020164597	0	46	-1.0	-50.56	399.04	6.32	-44.24
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(C)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020164597	1	46	-1.0	-50.56	399.10	6.34	-44.22
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020164598	0	43	-1.0	-50.15	395.92	6.19	-43.96
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020164598	1	43	-1.0	-50.18	395.97	6.21	-43.97
CSCC[C@H](NC(=O)C1=NN(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020164599	0	49	-1.0	-49.89	422.00	7.00	-42.89
CSCC[C@H](NC(=O)C1=NN(C2=CC(C)=CC(C)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020164599	1	49	-1.0	-49.92	422.05	7.02	-42.90
CSCC[C@H](NC(=O)C1=C(N)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020164600	0	37	-1.0	-49.02	339.44	2.70	-46.32
CSCC[C@H](NC(=O)C1=C(N)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020164600	1	37	-1.0	-49.03	339.49	2.72	-46.31
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164601	0	50	-1.0	-49.79	427.53	8.08	-41.71
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164601	1	50	-1.0	-49.82	427.58	8.10	-41.72
CSCC[C@H](NC(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=NN=N[N-]1	REAL300020164602	0	49	-1.0	-47.14	408.59	4.60	-42.54
CSCC[C@H](NC(=O)C1=CC=NC(OC2CCCCC2)=C1)C1=N[N-]N=N1	REAL300020164602	1	49	-1.0	-47.12	408.54	4.59	-42.53
CSCC[C@H](NC(=O)C1=NN(C(C)C2CC2)C(C)=C1)C1=N[N-]N=N1	REAL300020164603	0	46	-1.0	-50.08	396.18	5.44	-44.64
CSCC[C@H](NC(=O)C1=NN(C(C)C2CC2)C(C)=C1)C1=NN=N[N-]1	REAL300020164603	1	46	-1.0	-50.08	396.24	5.45	-44.63
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1SC1CCCC1)C1=N[N-]N=N1	REAL300020164604	0	50	-1.0	-49.81	416.37	8.44	-41.37
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1SC1CCCC1)C1=NN=N[N-]1	REAL300020164604	1	50	-1.0	-49.85	416.43	8.45	-41.40
CSCC[C@H](NC(=O)C1=CN=C(C)N=C1C)C1=N[N-]N=N1	REAL300020164605	0	37	-1.0	-43.28	325.80	2.72	-40.56
CSCC[C@H](NC(=O)C1=CN=C(C)N=C1C)C1=NN=N[N-]1	REAL300020164605	1	37	-1.0	-43.32	325.86	2.73	-40.59
CSCC[C@H](NC(=O)C1=NC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020164606	0	35	-1.0	-50.97	325.12	3.42	-47.55
CSCC[C@H](NC(=O)C1=NC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020164606	1	35	-1.0	-50.98	325.06	3.40	-47.58
CSCC[C@H](NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020164607	0	48	-1.0	-45.33	407.17	6.81	-38.52
CSCC[C@H](NC(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020164607	1	48	-1.0	-45.36	407.23	6.82	-38.54
CCOC1=CC(Cl)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164608	0	40	-1.0	-48.40	363.42	6.07	-42.33
CCOC1=CC(Cl)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164608	1	40	-1.0	-48.38	363.48	6.08	-42.30
CSCC[C@H](NC(=O)C1=CN=C2SC(C)=CN2C1=O)C1=N[N-]N=N1	REAL300020164609	0	38	-1.0	-54.46	353.13	4.19	-50.27
CCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(=O)N1	REAL300020164610	0	39	-1.0	-51.64	345.38	2.29	-49.35
CCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(=O)N1	REAL300020164610	1	39	-1.0	-51.62	345.44	2.31	-49.31
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1=CC=CC=C1C#N)C1=N[N-]N=N1	REAL300020164611	0	45	-1.0	-58.31	405.18	8.44	-49.87
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1=CC=CC=C1C#N)C1=NN=N[N-]1	REAL300020164611	1	45	-1.0	-58.30	405.23	8.45	-49.85
CSCC[C@H](NC(=O)C1=CC(OCC(F)F)=CC=N1)C1=NN=N[N-]1	REAL300020164612	0	39	-1.0	-54.67	359.40	2.95	-51.72
CSCC[C@H](NC(=O)C1=CC(OCC(F)F)=CC=N1)C1=N[N-]N=N1	REAL300020164612	1	39	-1.0	-54.70	359.35	2.93	-51.77
CSCC[C@H](NC(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020164613	0	42	-1.0	-44.82	381.24	2.63	-42.19
CSCC[C@H](NC(=O)C1=CN=C(OC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020164613	1	42	-1.0	-44.85	381.19	2.62	-42.23
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164614	0	43	-1.0	-51.51	376.35	5.42	-46.09
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164614	1	43	-1.0	-51.53	376.30	5.41	-46.12
COC1=C2C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CNC2=CC=C1	REAL300020164615	0	44	-1.0	-54.32	382.21	4.14	-50.18
COC1=C2C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CNC2=CC=C1	REAL300020164615	1	44	-1.0	-54.35	382.26	4.16	-50.19
CCCCCCCCC(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164616	0	56	-1.0	-44.99	447.59	8.47	-36.52
CCCCCCCCC(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164616	1	56	-1.0	-44.99	447.65	8.48	-36.51
C=CCOC1=CC=CN=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164617	0	40	-1.0	-53.25	357.07	4.45	-48.80
C=CCOC1=CC=CN=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164617	1	40	-1.0	-53.27	357.01	4.43	-48.84
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CCCCC2)S1)C1=N[N-]N=N1	REAL300020164618	0	48	-1.0	-44.01	407.53	5.83	-38.18
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CCCCC2)S1)C1=NN=N[N-]1	REAL300020164618	1	48	-1.0	-44.04	407.59	5.84	-38.20
CSCC[C@H](NC(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020164619	0	38	-1.0	-44.79	351.00	3.77	-41.02
CSCC[C@H](NC(=O)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020164619	1	38	-1.0	-44.78	351.06	3.79	-40.99
CSCC[C@H](NC(=O)C(CC#N)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164620	0	40	-1.0	-48.88	354.09	5.93	-42.95
CSCC[C@H](NC(=O)C(CC#N)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164620	1	40	-1.0	-48.84	354.15	5.95	-42.89
CSCC[C@H](NC(=O)CC1=CC=C(Br)C=C1C)C1=N[N-]N=N1	REAL300020164621	0	39	-1.0	-45.84	360.22	5.86	-39.98
CSCC[C@H](NC(=O)CC1=CC=C(Br)C=C1C)C1=NN=N[N-]1	REAL300020164621	1	39	-1.0	-45.88	360.28	5.88	-40.00
CCC1=NN(C)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164622	0	39	-1.0	-49.46	342.15	3.16	-46.30
CCC1=NN(C)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164622	1	39	-1.0	-49.46	342.21	3.17	-46.29
COC1=CC=C(N2N=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2C)C=C1	REAL300020164623	0	47	-1.0	-51.17	407.13	4.95	-46.22
COC1=CC=C(N2N=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2C)C=C1	REAL300020164623	1	47	-1.0	-51.14	407.18	4.96	-46.18
CSCC[C@H](NC(=O)C1(CC2=CC=C(Cl)C=C2)CC1)C1=N[N-]N=N1	REAL300020164624	0	43	-1.0	-47.33	389.04	7.19	-40.14
CSCC[C@H](NC(=O)C1(CC2=CC=C(Cl)C=C2)CC1)C1=NN=N[N-]1	REAL300020164624	1	43	-1.0	-47.33	389.10	7.21	-40.12
CSCC[C@H](NC(=O)C1=CC2=C(CCC2)N1)C1=N[N-]N=N1	REAL300020164625	0	38	-1.0	-48.11	330.34	3.74	-44.37
CSCC[C@H](NC(=O)C1=CC2=C(CCC2)N1)C1=NN=N[N-]1	REAL300020164625	1	38	-1.0	-48.08	330.39	3.76	-44.32
CSCC[C@H](NC(=O)C1=CC(=O)NC2=C(F)C=C(C)C=C12)C1=N[N-]N=N1	REAL300020164626	0	42	-1.0	-42.71	371.08	3.91	-38.80
CSCC[C@H](NC(=O)C1=CC(=O)NC2=C(F)C=C(C)C=C12)C1=NN=N[N-]1	REAL300020164626	1	42	-1.0	-42.73	371.14	3.93	-38.80
CSCC[C@H](NC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL300020164627	0	49	-1.0	-52.38	428.32	6.27	-46.11
CSCC[C@H](NC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL300020164627	1	49	-1.0	-52.36	428.27	6.26	-46.10
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C)N=C1)C1=N[N-]N=N1	REAL300020164628	0	42	-1.0	-47.10	360.51	3.88	-43.22
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C)N=C1)C1=NN=N[N-]1	REAL300020164628	1	42	-1.0	-47.10	360.57	3.89	-43.21
CCC(C)OC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=N1	REAL300020164629	0	45	-1.0	-47.15	387.73	3.49	-43.66
CCC(C)OC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=N1	REAL300020164629	1	45	-1.0	-47.16	387.67	3.48	-43.68
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1SC(C)C)C1=N[N-]N=N1	REAL300020164630	0	45	-1.0	-46.32	399.13	7.16	-39.16
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1SC(C)C)C1=NN=N[N-]1	REAL300020164630	1	45	-1.0	-46.33	399.18	7.17	-39.16
CSCC[C@H](NC(=O)C=CC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300020164631	0	43	-1.0	-46.43	374.88	6.60	-39.83
CSCC[C@H](NC(=O)C=CC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300020164631	1	43	-1.0	-46.47	374.93	6.61	-39.86
CSCC[C@H](NC(=O)C1=CC=CN1C(C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164632	0	50	-1.0	-51.81	420.81	8.57	-43.24
CSCC[C@H](NC(=O)C1=CC=CN1C(C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164632	1	50	-1.0	-51.81	420.87	8.58	-43.23
CSCC[C@H](NC(=O)C1=CC(=O)NC(CC(C)C)=C1)C1=N[N-]N=N1	REAL300020164633	0	45	-1.0	-51.00	383.20	4.01	-46.99
CSCC[C@H](NC(=O)C1=CC(=O)NC(CC(C)C)=C1)C1=NN=N[N-]1	REAL300020164633	1	45	-1.0	-51.00	383.26	4.02	-46.98
COC(=O)C1=NOC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164634	0	35	-1.0	-41.78	333.40	2.11	-39.67
COC(=O)C1=NOC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164634	1	35	-1.0	-41.75	333.34	2.09	-39.66
CSCC[C@H](NC(=O)C1=CC(Br)=NC=C1F)C1=NN=N[N-]1	REAL300020164635	0	32	-1.0	-43.94	318.87	2.92	-41.02
CSCC[C@H](NC(=O)C1=CC(Br)=NC=C1F)C1=N[N-]N=N1	REAL300020164635	1	32	-1.0	-43.95	318.82	2.90	-41.05
CSCC[C@H](NC(=O)C(C)=CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020164636	0	40	-1.0	-47.39	360.49	6.32	-41.07
CSCC[C@H](NC(=O)C(C)=CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020164636	1	40	-1.0	-47.37	360.54	6.33	-41.04
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2F)CCCC1)C1=N[N-]N=N1	REAL300020164637	0	46	-1.0	-43.10	382.13	7.41	-35.69
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2F)CCCC1)C1=NN=N[N-]1	REAL300020164637	1	46	-1.0	-43.15	382.20	7.42	-35.73
CSCC[C@H](NC(=O)C1=CC=CC(OCC2=NOC(C)=N2)=C1)C1=N[N-]N=N1	REAL300020164638	0	45	-1.0	-55.55	400.35	2.89	-52.66
CSCC[C@H](NC(=O)C1=CC=CC(OCC2=NOC(C)=N2)=C1)C1=NN=N[N-]1	REAL300020164638	1	45	-1.0	-55.55	400.41	2.91	-52.64
COCC(=O)N(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164639	0	40	-1.0	-51.07	353.03	2.02	-49.05
COCC(=O)N(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164639	1	40	-1.0	-51.05	353.09	2.04	-49.01
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Cl	REAL300020164640	0	37	-1.0	-44.72	343.02	3.94	-40.78
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Cl	REAL300020164640	1	37	-1.0	-44.76	343.08	3.95	-40.81
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300020164641	0	45	-1.0	-58.60	387.76	3.04	-55.56
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300020164641	1	45	-1.0	-58.63	387.82	3.06	-55.57
CSCC[C@H](NC(=O)C1(O)CCSC1)C1=N[N-]N=N1	REAL300020164642	0	35	-1.0	-45.26	313.07	0.37	-44.89
CSCC[C@H](NC(=O)C1(O)CCSC1)C1=NN=N[N-]1	REAL300020164642	1	35	-1.0	-45.22	313.13	0.39	-44.83
CCC1=NN(C)C(Cl)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164643	0	39	-1.0	-46.01	363.48	3.44	-42.57
CCC1=NN(C)C(Cl)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164643	1	39	-1.0	-46.01	363.54	3.46	-42.55
CSCC[C@H](NC(=O)C1CC(=O)N(C)C1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020164644	0	47	-1.0	-58.29	396.69	5.03	-53.26
CSCC[C@H](NC(=O)C1CC(=O)N(C)C1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020164644	1	47	-1.0	-58.34	396.76	5.04	-53.30
CSCC[C@H](NC(=O)C1SCCS1)C1=N[N-]N=N1	REAL300020164645	0	32	-1.0	-46.30	305.58	3.49	-42.81
CSCC[C@H](NC(=O)C1SCCS1)C1=NN=N[N-]1	REAL300020164645	1	32	-1.0	-46.32	305.64	3.50	-42.82
COC1=C(Br)SC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164646	0	34	-1.0	-42.44	341.39	3.14	-39.30
COC1=C(Br)SC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164646	1	34	-1.0	-42.48	341.45	3.16	-39.32
CSCC[C@H](NC(=O)C1=CC2=CC=C(C#N)C=C2C=C1)C1=N[N-]N=N1	REAL300020164647	0	40	-1.0	-47.60	364.51	6.73	-40.87
CSCC[C@H](NC(=O)C1=CC2=CC=C(C#N)C=C2C=C1)C1=NN=N[N-]1	REAL300020164647	1	40	-1.0	-47.67	364.57	6.74	-40.93
CSCC[C@H](NC(=O)C1COC2=CC=C(Br)C=C21)C1=N[N-]N=N1	REAL300020164648	0	38	-1.0	-48.39	357.22	4.40	-43.99
CSCC[C@H](NC(=O)C1COC2=CC=C(Br)C=C21)C1=NN=N[N-]1	REAL300020164648	1	38	-1.0	-48.38	357.28	4.41	-43.97
CSCC[C@H](NC(=O)C1=COC(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020164649	0	41	-1.0	-50.55	378.93	0.09	-50.46
CSCC[C@H](NC(=O)C1=COC(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020164649	1	41	-1.0	-50.52	378.98	0.11	-50.41
CSCC[C@H](NC(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020164650	0	36	-1.0	-47.23	340.67	4.89	-42.34
CSCC[C@H](NC(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020164650	1	36	-1.0	-47.21	340.62	4.88	-42.33
CSCC[C@H]([N-]C(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020164650	1	35	-2.0	-119.87	336.87	2.93	-116.94
CSCC[C@H](NC(=O)C1CC1C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020164651	0	41	-1.0	-47.31	363.00	6.43	-40.88
CSCC[C@H](NC(=O)C1CC1C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020164651	1	41	-1.0	-47.34	363.06	6.44	-40.90
COC1=CC=C(COCCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020164652	0	50	-1.0	-50.97	428.59	4.93	-46.04
COC1=CC=C(COCCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020164652	1	50	-1.0	-50.99	428.65	4.94	-46.05
CSCC[C@H](NC(=O)C1=CC(C)=NN=C1C)C1=N[N-]N=N1	REAL300020164653	0	37	-1.0	-44.96	325.79	2.50	-42.46
CSCC[C@H](NC(=O)C1=CC(C)=NN=C1C)C1=NN=N[N-]1	REAL300020164653	1	37	-1.0	-44.98	325.85	2.51	-42.47
CCOC(=O)C(C)(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164654	0	41	-1.0	-52.45	354.10	4.90	-47.55
CCOC(=O)C(C)(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164654	1	41	-1.0	-52.46	354.16	4.91	-47.55
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164655	0	42	-1.0	-46.57	382.87	6.62	-39.95
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164655	1	42	-1.0	-46.53	382.92	6.63	-39.90
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1CC(C)C	REAL300020164656	0	48	-1.0	-46.54	396.88	5.29	-41.25
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1CC(C)C	REAL300020164656	1	48	-1.0	-46.52	396.93	5.31	-41.21
CSCC[C@H](NC(=O)CCC(=O)NC1CCCC1)C1=N[N-]N=N1	REAL300020164657	0	46	-1.0	-45.72	387.27	3.11	-42.61
CSCC[C@H](NC(=O)CCC(=O)NC1CCCC1)C1=NN=N[N-]1	REAL300020164657	1	46	-1.0	-45.74	387.33	3.12	-42.62
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C1=NN=N[N-]1	REAL300020164658	0	40	-1.0	-50.28	361.74	5.47	-44.81
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C12)C1=N[N-]N=N1	REAL300020164658	1	40	-1.0	-50.25	361.68	5.46	-44.79
CSCC[C@H](NC(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=N[N-]N=N1	REAL300020164659	0	42	-1.0	-61.30	382.16	5.48	-55.82
CSCC[C@H](NC(=O)CC1=CNC2=CC=C([N+](=O)[O-])C=C12)C1=NN=N[N-]1	REAL300020164659	1	42	-1.0	-61.29	382.22	5.50	-55.79
CSCC[C@H](NC(=O)C1=CC=C(C(=O)NC(C)C)C=C1)C1=N[N-]N=N1	REAL300020164660	0	46	-1.0	-48.10	396.06	4.04	-44.06
CSCC[C@H](NC(=O)C1=CC=C(C(=O)NC(C)C)C=C1)C1=NN=N[N-]1	REAL300020164660	1	46	-1.0	-48.09	396.11	4.06	-44.03
CSCC[C@H](NC(=O)C1=CC=CC(C2=NNC=N2)=C1)C1=N[N-]N=N1	REAL300020164661	0	39	-1.0	-55.49	352.65	4.96	-50.53
CSCC[C@H](NC(=O)C1=CC=CC(C2=NNC=N2)=C1)C1=NN=N[N-]1	REAL300020164661	1	39	-1.0	-55.50	352.70	4.97	-50.53
CSCC[C@H](NC(=O)CCC1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020164662	0	56	-1.0	-50.89	454.30	5.62	-45.27
CSCC[C@H](NC(=O)CCC1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020164662	1	56	-1.0	-50.89	454.36	5.63	-45.26
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C)=C1)C1=N[N-]N=N1	REAL300020164663	0	43	-1.0	-53.63	394.41	6.36	-47.27
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2Cl)C(C)=C1)C1=NN=N[N-]1	REAL300020164663	1	43	-1.0	-53.61	394.47	6.38	-47.23
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=NN=N[N-]1	REAL300020164664	0	39	-1.0	-50.13	375.46	4.38	-45.75
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(Cl)=C2F)N=N1)C1=N[N-]N=N1	REAL300020164664	1	39	-1.0	-50.14	375.41	4.37	-45.77
CSCC[C@H](NC(=O)C1=CC=CC(C2=COC=C2)=C1)C1=N[N-]N=N1	REAL300020164665	0	40	-1.0	-49.21	356.46	5.68	-43.53
CSCC[C@H](NC(=O)C1=CC=CC(C2=COC=C2)=C1)C1=NN=N[N-]1	REAL300020164665	1	40	-1.0	-49.22	356.52	5.70	-43.52
COC1=CC2=C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=CC=C2C=C1	REAL300020164666	0	46	-1.0	-54.88	394.17	6.18	-48.70
COC1=CC2=C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=CC=C2C=C1	REAL300020164666	1	46	-1.0	-54.86	394.23	6.20	-48.66
CSCC[C@H](NC(=O)C(OC(C)(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164667	0	49	-1.0	-50.21	405.33	6.77	-43.44
CSCC[C@H](NC(=O)C(OC(C)(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164667	1	49	-1.0	-50.23	405.39	6.78	-43.45
CSCC[C@H](NC(=O)C1=C(N2C=CC=C2)SC2=C1CCC2)C1=N[N-]N=N1	REAL300020164668	0	45	-1.0	-49.92	395.95	7.85	-42.07
CSCC[C@H](NC(=O)C1=C(N2C=CC=C2)SC2=C1CCC2)C1=NN=N[N-]1	REAL300020164668	1	45	-1.0	-49.88	396.01	7.87	-42.01
CSCC[C@H](NC(=O)C1=CC=CC(C2CCOC2)=C1)C1=N[N-]N=N1	REAL300020164669	0	44	-1.0	-47.66	372.28	4.68	-42.98
CSCC[C@H](NC(=O)C1=CC=CC(C2CCOC2)=C1)C1=NN=N[N-]1	REAL300020164669	1	44	-1.0	-47.62	372.34	4.69	-42.93
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1F	REAL300020164670	0	37	-1.0	-54.77	331.37	3.46	-51.31
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1F	REAL300020164670	1	37	-1.0	-54.78	331.43	3.48	-51.30
CSCC[C@H](NC(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020164671	0	42	-1.0	-55.70	378.32	6.53	-49.17
CSCC[C@H](NC(=O)CN1C=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020164671	1	42	-1.0	-55.72	378.26	6.51	-49.21
CSCC[C@H](NC(=O)CN(CCC1=CC=CC=C1)C(C)=O)C1=N[N-]N=N1	REAL300020164672	0	49	-1.0	-52.68	418.09	6.45	-46.23
CSCC[C@H](NC(=O)CN(CCC1=CC=CC=C1)C(C)=O)C1=NN=N[N-]1	REAL300020164672	1	49	-1.0	-52.64	418.15	6.46	-46.18
CSCC[C@H](NC(=O)C(C)SC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020164673	0	42	-1.0	-46.13	392.61	5.84	-40.29
CSCC[C@H](NC(=O)C(C)SC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020164673	1	42	-1.0	-46.11	392.55	5.82	-40.29
CSCC[C@H](NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020164674	0	56	-1.0	-52.40	450.70	5.68	-46.72
CSCC[C@H](NC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020164674	1	56	-1.0	-52.43	450.75	5.69	-46.74
CSCC[C@H](NC(=O)C1=CN(C2=CC=C(F)C=C2C)N=N1)C1=NN=N[N-]1	REAL300020164675	0	42	-1.0	-44.81	376.89	4.58	-40.23
CSCC[C@H](NC(=O)C1=CN(C2=CC=C(F)C=C2C)N=N1)C1=N[N-]N=N1	REAL300020164675	1	42	-1.0	-44.84	376.84	4.57	-40.27
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020164676	0	42	-1.0	-46.37	372.29	5.92	-40.45
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020164676	1	42	-1.0	-46.37	372.35	5.94	-40.43
COC1=CC=CC(C2=NC(C)=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N2)=C1	REAL300020164677	0	47	-1.0	-48.18	406.78	4.44	-43.74
COC1=CC=CC(C2=NC(C)=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N2)=C1	REAL300020164677	1	47	-1.0	-48.18	406.84	4.45	-43.73
CSCC[C@H](NC(=O)C1=CNC2=NC=NC2=C1)C1=N[N-]N=N1	REAL300020164678	0	35	-1.0	-47.64	317.94	2.93	-44.71
CSCC[C@H](NC(=O)C1=CNC2=NC=NC2=C1)C1=NN=N[N-]1	REAL300020164678	1	35	-1.0	-47.69	318.00	2.95	-44.74
CSCC[C@H](NC(=O)C1=CN=C2NC=NC2=C1)C1=N[N-]N=N1	REAL300020164678	1	35	-1.0	-51.45	318.21	2.97	-48.48
CSCC[C@H](NC(=O)C1=CN=C2NC=NC2=C1)C1=NN=N[N-]1	REAL300020164678	1	35	-1.0	-51.43	318.26	2.98	-48.45
CSCC[C@H](NC(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1)C1=N[N-]N=N1	REAL300020164679	0	46	-1.0	-55.97	415.74	-0.15	-56.12
CSCC[C@H](NC(=O)CC1=CC=C(S(=O)(=O)CCO)C=C1)C1=NN=N[N-]1	REAL300020164679	1	46	-1.0	-55.94	415.80	-0.13	-56.07
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300020164680	0	37	-1.0	-48.55	347.81	-2.87	-51.42
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300020164680	1	37	-1.0	-48.58	347.75	-2.88	-51.46
CSCC[C@H](NC(=O)CC1=NC=C(C)S1)C1=N[N-]N=N1	REAL300020164681	0	35	-1.0	-50.25	328.86	2.65	-47.60
CSCC[C@H](NC(=O)CC1=NC=C(C)S1)C1=NN=N[N-]1	REAL300020164681	1	35	-1.0	-50.22	328.92	2.66	-47.56
CSCC[C@H](NC(=O)C1CCCC(C)(C)C1)C1=N[N-]N=N1	REAL300020164682	0	45	-1.0	-46.18	357.29	5.21	-40.97
CSCC[C@H](NC(=O)C1CCCC(C)(C)C1)C1=NN=N[N-]1	REAL300020164682	1	45	-1.0	-46.21	357.35	5.23	-40.98
COC1=CC=C(C(F)(F)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020164683	0	40	-1.0	-44.36	361.30	4.17	-40.19
COC1=CC=C(C(F)(F)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020164683	1	40	-1.0	-44.36	361.24	4.16	-40.20
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=N[N-]N=N1	REAL300020164684	0	42	-1.0	-48.36	383.97	4.77	-43.59
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2F)C(=O)C=C1)C1=NN=N[N-]1	REAL300020164684	1	42	-1.0	-48.35	384.03	4.78	-43.57
CSCC[C@H](NC(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL300020164685	0	44	-1.0	-50.03	385.55	4.10	-45.93
CSCC[C@H](NC(=O)C1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL300020164685	1	44	-1.0	-50.04	385.60	4.12	-45.92
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1O	REAL300020164686	0	42	-1.0	-46.16	366.89	1.14	-45.02
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1O	REAL300020164686	1	42	-1.0	-46.14	366.95	1.16	-44.98
CSCC[C@H](NC(=O)C1=CN2C(=O)NN=C2C=C1)C1=N[N-]N=N1	REAL300020164687	0	36	-1.0	-49.46	329.70	2.47	-46.99
CSCC[C@H](NC(=O)C1=CN2C(=O)NN=C2C=C1)C1=NN=N[N-]1	REAL300020164687	1	36	-1.0	-49.49	329.75	2.48	-47.01
CSCC[C@H](NC(=O)CCCCCCC(C)=O)C1=N[N-]N=N1	REAL300020164688	0	46	-1.0	-48.96	392.73	5.58	-43.38
CSCC[C@H](NC(=O)CCCCCCC(C)=O)C1=NN=N[N-]1	REAL300020164688	1	46	-1.0	-48.92	392.78	5.60	-43.32
CSCC[C@H](NC(=O)C1=C(Cl)C=C(C#N)C=C1Cl)C1=N[N-]N=N1	REAL300020164689	0	34	-1.0	-44.42	353.58	5.16	-39.26
CSCC[C@H](NC(=O)C1=C(Cl)C=C(C#N)C=C1Cl)C1=NN=N[N-]1	REAL300020164689	1	34	-1.0	-44.42	353.63	5.18	-39.24
CSCC[C@H](NC(=O)C12CCC(CC1Br)C2)C1=N[N-]N=N1	REAL300020164690	0	40	-1.0	-45.28	344.09	5.13	-40.15
CSCC[C@H](NC(=O)C12CCC(CC1Br)C2)C1=NN=N[N-]1	REAL300020164690	1	40	-1.0	-45.31	344.15	5.15	-40.16
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020164691	0	40	-1.0	-47.22	353.96	4.92	-42.30
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020164691	1	40	-1.0	-47.23	354.02	4.93	-42.30
CSCC[C@H](NC(=O)C1=CC(=O)NC(C)=C1)C1=N[N-]N=N1	REAL300020164692	0	36	-1.0	-53.11	323.69	1.58	-51.53
CSCC[C@H](NC(=O)C1=CC(=O)NC(C)=C1)C1=NN=N[N-]1	REAL300020164692	1	36	-1.0	-53.09	323.75	1.59	-51.50
CSCC[C@H](NC(=O)C1=CC=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL300020164693	0	36	-1.0	-44.11	336.97	5.26	-38.85
CSCC[C@H](NC(=O)C1=CC=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL300020164693	1	36	-1.0	-44.10	337.03	5.28	-38.82
CSCC[C@H](NC(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=N[N-]N=N1	REAL300020164694	0	43	-1.0	-51.71	390.50	7.84	-43.87
CSCC[C@H](NC(=O)C1=CC=CC(C2=C(F)C=CC=C2F)=C1)C1=NN=N[N-]1	REAL300020164694	1	43	-1.0	-51.71	390.56	7.85	-43.86
CCS(=O)(=O)C1=CC=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020164695	0	48	-1.0	-51.80	425.72	3.99	-47.81
CCS(=O)(=O)C1=CC=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020164695	1	48	-1.0	-51.82	425.78	4.00	-47.82
CSCC[C@H](NC(=O)C(C)C1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300020164696	0	51	-1.0	-45.57	419.24	8.00	-37.57
CSCC[C@H](NC(=O)C(C)C1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300020164696	1	51	-1.0	-45.52	419.30	8.01	-37.51
CSCC[C@H](NC(=O)C1=CC(F)=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300020164697	0	33	-1.0	-43.99	324.64	4.73	-39.26
CSCC[C@H](NC(=O)C1=CC(F)=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300020164697	1	33	-1.0	-44.01	324.70	4.75	-39.26
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C=NN1C)C1=NN=N[N-]1	REAL300020164698	0	35	-1.0	-42.29	331.51	2.36	-39.93
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C=NN1C)C1=N[N-]N=N1	REAL300020164698	1	35	-1.0	-42.33	331.45	2.35	-39.98
CSCC[C@H](NC(=O)C1=C(C)N=C(N(C)C)S1)C1=N[N-]N=N1	REAL300020164699	0	40	-1.0	-47.63	359.06	3.63	-44.00
CSCC[C@H](NC(=O)C1=C(C)N=C(N(C)C)S1)C1=NN=N[N-]1	REAL300020164699	1	40	-1.0	-47.61	359.12	3.64	-43.97
CCOC(=O)C1=CN=C(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164700	0	44	-1.0	-44.04	385.61	4.52	-39.52
CCOC(=O)C1=CN=C(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164700	1	44	-1.0	-44.04	385.66	4.54	-39.50
CSCC[C@H](NC(=O)CC1=NOC(C)=C1C#N)C1=N[N-]N=N1	REAL300020164701	0	36	-1.0	-51.25	340.46	3.37	-47.88
CSCC[C@H](NC(=O)CC1=NOC(C)=C1C#N)C1=NN=N[N-]1	REAL300020164701	1	36	-1.0	-51.21	340.52	3.39	-47.82
CSCC[C@H](NC(=O)C(C)N1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020164702	0	45	-1.0	-45.33	370.87	4.31	-41.02
CSCC[C@H](NC(=O)C(C)N1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020164702	1	45	-1.0	-45.33	370.92	4.33	-41.00
CSCC[C@H](NC(=O)C1=CC=CC2=C1OC(=O)N2C)C1=N[N-]N=N1	REAL300020164703	0	39	-1.0	-61.79	351.20	4.51	-57.28
CSCC[C@H](NC(=O)C1=CC=CC2=C1OC(=O)N2C)C1=NN=N[N-]1	REAL300020164703	1	39	-1.0	-61.80	351.26	4.52	-57.28
CSCC[C@H](NC(=O)C1CCC2=NNC=C2C1)C1=N[N-]N=N1	REAL300020164704	0	40	-1.0	-47.28	341.47	2.83	-44.45
CSCC[C@H](NC(=O)C1CCC2=NNC=C2C1)C1=NN=N[N-]1	REAL300020164704	1	40	-1.0	-47.32	341.53	2.85	-44.47
CSCC[C@H](NC(=O)C1=CN=C(C2CCCO2)S1)C1=N[N-]N=N1	REAL300020164705	0	40	-1.0	-47.25	363.23	2.22	-45.03
CSCC[C@H](NC(=O)C1=CN=C(C2CCCO2)S1)C1=NN=N[N-]1	REAL300020164705	1	40	-1.0	-47.28	363.28	2.24	-45.04
CSCC[C@H](NC(=O)C1=CC(F)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020164706	0	38	-1.0	-53.30	343.07	4.99	-48.31
CSCC[C@H](NC(=O)C1=CC(F)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020164706	1	38	-1.0	-53.31	343.02	4.97	-48.34
CSCC[C@H](NC(=O)CCC1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL300020164707	0	38	-1.0	-44.70	344.87	3.87	-40.83
CSCC[C@H](NC(=O)CCC1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL300020164707	1	38	-1.0	-44.72	344.82	3.85	-40.87
CSCC[C@H](NC(=O)C1=C(C)N2N=CC=C2N=C1C)C1=N[N-]N=N1	REAL300020164708	0	41	-1.0	-43.78	362.72	3.79	-39.99
CSCC[C@H](NC(=O)C1=C(C)N2N=CC=C2N=C1C)C1=NN=N[N-]1	REAL300020164708	1	41	-1.0	-43.81	362.78	3.81	-40.00
CSCC[C@H](NC(=O)C1=CC=CC(OCC(F)F)=N1)C1=NN=N[N-]1	REAL300020164709	0	39	-1.0	-46.90	361.86	2.21	-44.69
CSCC[C@H](NC(=O)C1=CC=CC(OCC(F)F)=N1)C1=N[N-]N=N1	REAL300020164709	1	39	-1.0	-46.90	361.80	2.19	-44.71
CSCC[C@H](NC(=O)C1=CN=CC(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL300020164710	0	45	-1.0	-45.96	376.79	1.08	-44.88
CSCC[C@H](NC(=O)C1=CN=CC(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL300020164710	1	45	-1.0	-45.98	376.73	1.07	-44.91
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1Br)C1=N[N-]N=N1	REAL300020164711	0	36	-1.0	-47.99	331.98	5.27	-42.72
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1Br)C1=NN=N[N-]1	REAL300020164711	1	36	-1.0	-47.99	332.04	5.29	-42.70
CSCC[C@H](NC(=O)C1CCC2CCCCC2C1)C1=N[N-]N=N1	REAL300020164712	0	49	-1.0	-46.33	385.11	6.66	-39.67
CSCC[C@H](NC(=O)C1CCC2CCCCC2C1)C1=NN=N[N-]1	REAL300020164712	1	49	-1.0	-46.38	385.17	6.67	-39.71
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300020164713	0	33	-1.0	-44.43	320.10	4.66	-39.77
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300020164713	1	33	-1.0	-44.43	320.16	4.67	-39.76
CSCC[C@H](NC(=O)C(CC(F)F)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020164714	0	49	-1.0	-44.62	410.95	2.57	-42.05
CSCC[C@H](NC(=O)C(CC(F)F)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020164714	1	49	-1.0	-44.65	411.00	2.58	-42.07
CSCC[C@H](NC(=O)CCCC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300020164715	0	42	-1.0	-48.63	376.91	6.43	-42.20
CSCC[C@H](NC(=O)CCCC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL300020164715	1	42	-1.0	-48.59	376.97	6.45	-42.14
COC(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164716	0	37	-1.0	-43.10	331.21	-0.22	-43.32
COC(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164716	1	37	-1.0	-43.14	331.26	-0.21	-43.35
COC1=CC=C(CC(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020164717	0	46	-1.0	-45.73	388.48	5.33	-40.40
COC1=CC=C(CC(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020164717	1	46	-1.0	-45.75	388.53	5.35	-40.40
CSCC[C@H](NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020164718	0	47	-1.0	-50.92	409.55	6.10	-44.82
CSCC[C@H](NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020164718	1	47	-1.0	-50.92	409.61	6.12	-44.80
CSCC[C@H](NC(=O)C1=CC=C(CC#N)C=C1)C1=N[N-]N=N1	REAL300020164719	0	37	-1.0	-54.21	339.79	5.25	-48.96
CSCC[C@H](NC(=O)C1=CC=C(CC#N)C=C1)C1=NN=N[N-]1	REAL300020164719	1	37	-1.0	-54.18	339.85	5.26	-48.92
CSCC[C@H](NC(=O)CCCSC(C)(C)C)C1=N[N-]N=N1	REAL300020164720	0	45	-1.0	-47.73	384.71	5.77	-41.96
CSCC[C@H](NC(=O)CCCSC(C)(C)C)C1=NN=N[N-]1	REAL300020164720	1	45	-1.0	-47.73	384.77	5.78	-41.95
CSCC[C@H](NC(=O)CCCC1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300020164721	0	54	-1.0	-47.25	446.20	9.03	-38.22
CSCC[C@H](NC(=O)CCCC1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300020164721	1	54	-1.0	-47.25	446.26	9.05	-38.20
CSCC[C@H](NC(=O)CC(C)C1=C(C)ON=C1C)C1=N[N-]N=N1	REAL300020164722	0	44	-1.0	-44.82	368.70	4.60	-40.22
CSCC[C@H](NC(=O)CC(C)C1=C(C)ON=C1C)C1=NN=N[N-]1	REAL300020164722	1	44	-1.0	-44.84	368.76	4.62	-40.22
CSCC[C@H](NC(=O)CCC(C)(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164723	0	48	-1.0	-47.50	391.08	6.90	-40.60
CSCC[C@H](NC(=O)CCC(C)(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164723	1	48	-1.0	-47.51	391.14	6.92	-40.59
COC1=CC=C(CCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020164724	0	50	-1.0	-51.27	422.85	5.01	-46.26
COC1=CC=C(CCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020164724	1	50	-1.0	-51.25	422.91	5.02	-46.23
CCS(=O)(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164725	0	42	-1.0	-53.40	379.67	2.50	-50.90
CCS(=O)(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164725	1	42	-1.0	-53.41	379.73	2.51	-50.90
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1S(N)(=O)=O)C1=N[N-]N=N1	REAL300020164726	0	41	-1.0	-48.48	363.19	0.94	-47.54
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1S(N)(=O)=O)C1=NN=N[N-]1	REAL300020164726	1	41	-1.0	-48.47	363.25	0.95	-47.52
CSCC[C@H](NC(=O)CC(C)C1=C(C)NN=C1C)C1=N[N-]N=N1	REAL300020164727	0	45	-1.0	-46.00	370.83	3.34	-42.66
CSCC[C@H](NC(=O)CC(C)C1=C(C)NN=C1C)C1=NN=N[N-]1	REAL300020164727	1	45	-1.0	-46.02	370.89	3.36	-42.66
CSCC[C@H](NC(=O)C1=CC=NC(N2CCCC2)=N1)C1=NN=N[N-]1	REAL300020164728	0	43	-1.0	-45.79	369.22	4.06	-41.73
CSCC[C@H](NC(=O)C1=CC=NC(N2CCCC2)=N1)C1=N[N-]N=N1	REAL300020164728	1	43	-1.0	-45.78	369.16	4.04	-41.74
CSCC[C@H](NC(=O)C1CCCN(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL300020164729	0	44	-1.0	-48.03	367.75	2.48	-45.55
CSCC[C@H](NC(=O)C1CCCN(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL300020164729	1	44	-1.0	-48.08	367.81	2.50	-45.58
CSCC[C@H](NC(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=NN=N[N-]1	REAL300020164730	0	39	-1.0	-59.83	349.93	4.01	-55.82
CSCC[C@H](NC(=O)C1=CC=CC(N2C=CN=N2)=C1)C1=N[N-]N=N1	REAL300020164730	1	39	-1.0	-59.85	349.87	4.00	-55.85
COC1=CC=C2C(=C1)OCC2CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164731	0	45	-1.0	-44.42	384.61	3.82	-40.60
COC1=CC=C2C(=C1)OCC2CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164731	1	45	-1.0	-44.44	384.67	3.84	-40.60
CCC(C)N1N=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C1CC1	REAL300020164732	0	49	-1.0	-47.50	407.93	5.87	-41.63
CCC(C)N1N=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C1CC1	REAL300020164732	1	49	-1.0	-47.50	407.99	5.89	-41.61
CSCC[C@H](NC(=O)C(C)(C)C1CCCC1)C1=N[N-]N=N1	REAL300020164733	0	45	-1.0	-46.96	354.30	5.27	-41.69
CSCC[C@H](NC(=O)C(C)(C)C1CCCC1)C1=NN=N[N-]1	REAL300020164733	1	45	-1.0	-46.97	354.36	5.29	-41.68
CSCC[C@H](NC(=O)C1=C(C)N(C2CCCC2)N=C1)C1=N[N-]N=N1	REAL300020164734	0	46	-1.0	-46.79	383.56	5.24	-41.55
CSCC[C@H](NC(=O)C1=C(C)N(C2CCCC2)N=C1)C1=NN=N[N-]1	REAL300020164734	1	46	-1.0	-46.79	383.62	5.25	-41.54
CCC1=CSC(N2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=N2)=N1	REAL300020164735	0	42	-1.0	-49.52	388.88	4.79	-44.73
CCC1=CSC(N2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=N2)=N1	REAL300020164735	1	42	-1.0	-49.51	388.83	4.78	-44.73
CSCC[C@H](NC(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12)C1=N[N-]N=N1	REAL300020164736	0	39	-1.0	-67.28	352.87	5.80	-61.48
CSCC[C@H](NC(=O)C1=CNC2=CC=CC([N+](=O)[O-])=C12)C1=NN=N[N-]1	REAL300020164736	1	39	-1.0	-67.31	352.93	5.81	-61.50
C=C(C)C(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)OCC	REAL300020164737	0	43	-1.0	-45.58	370.06	4.52	-41.06
C=C(C)C(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)OCC	REAL300020164737	1	43	-1.0	-45.62	370.12	4.53	-41.09
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)C1CC1)C1=N[N-]N=N1	REAL300020164738	0	43	-1.0	-46.47	372.54	6.72	-39.75
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)C1CC1)C1=NN=N[N-]1	REAL300020164738	1	43	-1.0	-46.47	372.60	6.74	-39.73
CSCC[C@H](NC(=O)C(C)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020164739	0	39	-1.0	-47.87	345.44	5.31	-42.56
CSCC[C@H](NC(=O)C(C)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020164739	1	39	-1.0	-47.85	345.50	5.33	-42.52
CSCC[C@H](NC(=O)C(C1=CC=C(F)C=C1)C(C)C)C1=N[N-]N=N1	REAL300020164740	0	45	-1.0	-48.05	384.05	6.41	-41.64
CSCC[C@H](NC(=O)C(C1=CC=C(F)C=C1)C(C)C)C1=NN=N[N-]1	REAL300020164740	1	45	-1.0	-48.04	384.11	6.43	-41.61
CSCC[C@H](NC(=O)CC1=CC=CC(OCC#N)=C1)C1=N[N-]N=N1	REAL300020164741	0	41	-1.0	-54.59	372.89	4.78	-49.81
CSCC[C@H](NC(=O)CC1=CC=CC(OCC#N)=C1)C1=NN=N[N-]1	REAL300020164741	1	41	-1.0	-54.60	372.95	4.79	-49.81
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(C)N2C)=N1)C1=NN=N[N-]1	REAL300020164742	0	43	-1.0	-49.85	386.80	4.55	-45.30
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(C)N2C)=N1)C1=N[N-]N=N1	REAL300020164742	1	43	-1.0	-49.86	386.74	4.53	-45.33
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=N[N-]N=N1	REAL300020164743	0	44	-1.0	-48.04	374.08	5.00	-43.04
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCC(=O)N2C)C1=NN=N[N-]1	REAL300020164743	1	44	-1.0	-48.05	374.14	5.02	-43.03
CSCC[C@H](NC(=O)CCC1=C(C)N(C)N=C1)C1=N[N-]N=N1	REAL300020164744	0	42	-1.0	-49.40	364.67	3.79	-45.61
CSCC[C@H](NC(=O)CCC1=C(C)N(C)N=C1)C1=NN=N[N-]1	REAL300020164744	1	42	-1.0	-49.41	364.72	3.80	-45.61
COC1CCC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020164745	0	46	-1.0	-47.46	372.37	4.18	-43.28
COC1CCC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020164745	1	46	-1.0	-47.52	372.43	4.19	-43.33
CSCC[C@H](NC(=O)C1=CC2=CC(F)=CC=C2N=C1)C1=NN=N[N-]1	REAL300020164746	0	38	-1.0	-44.58	345.30	4.55	-40.03
CSCC[C@H](NC(=O)C1=CC2=CC(F)=CC=C2N=C1)C1=N[N-]N=N1	REAL300020164746	1	38	-1.0	-44.60	345.25	4.54	-40.06
CSCC[C@H](NC(=O)C1=CC=NC(OCC(F)F)=C1)C1=NN=N[N-]1	REAL300020164747	0	39	-1.0	-51.09	359.84	2.08	-49.01
CSCC[C@H](NC(=O)C1=CC=NC(OCC(F)F)=C1)C1=N[N-]N=N1	REAL300020164747	1	39	-1.0	-51.09	359.78	2.06	-49.03
CCC(CC)N1N=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020164748	0	48	-1.0	-50.27	403.18	5.42	-44.85
CCC(CC)N1N=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020164748	1	48	-1.0	-50.24	403.24	5.44	-44.80
CSCC[C@H](NC(=O)C1=NN(C2CCCCC2)C(C)=C1)C1=N[N-]N=N1	REAL300020164749	0	49	-1.0	-49.96	406.31	5.78	-44.18
CSCC[C@H](NC(=O)C1=NN(C2CCCCC2)C(C)=C1)C1=NN=N[N-]1	REAL300020164749	1	49	-1.0	-49.95	406.37	5.79	-44.16
CSCC[C@H](NC(=O)C(C)CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020164750	0	42	-1.0	-47.24	364.94	6.23	-41.01
CSCC[C@H](NC(=O)C(C)CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020164750	1	42	-1.0	-47.19	364.99	6.24	-40.95
CSCC[C@H](NC(=O)C=CC1=C(C)N(C)N=C1)C1=N[N-]N=N1	REAL300020164751	0	40	-1.0	-49.67	353.87	3.57	-46.10
CSCC[C@H](NC(=O)C=CC1=C(C)N(C)N=C1)C1=NN=N[N-]1	REAL300020164751	1	40	-1.0	-49.71	353.93	3.58	-46.13
CSCC[C@H](NC(=O)C1=CC=CN=C1OCC(F)F)C1=NN=N[N-]1	REAL300020164752	0	39	-1.0	-57.68	357.48	3.30	-54.38
CSCC[C@H](NC(=O)C1=CC=CN=C1OCC(F)F)C1=N[N-]N=N1	REAL300020164752	1	39	-1.0	-57.68	357.42	3.29	-54.39
CSCC[C@H](NC(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300020164753	0	44	-1.0	-56.56	387.33	5.72	-50.84
CSCC[C@H](NC(=O)C1=CC(N2CCCC2=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300020164753	1	44	-1.0	-56.58	387.39	5.73	-50.85
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020164754	0	36	-1.0	-47.88	336.41	4.87	-43.01
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020164754	1	36	-1.0	-47.85	336.35	4.86	-42.99
COCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020164755	0	39	-1.0	-46.00	357.31	1.61	-44.39
COCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020164755	1	39	-1.0	-45.98	357.36	1.63	-44.35
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CC(C)=C2)N1)C1=N[N-]N=N1	REAL300020164756	0	46	-1.0	-46.36	398.72	5.80	-40.56
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CC(C)=C2)N1)C1=NN=N[N-]1	REAL300020164756	1	46	-1.0	-46.34	398.77	5.82	-40.52
CSCC[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020164757	0	41	-1.0	-60.76	358.95	0.77	-59.99
CSCC[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020164757	1	41	-1.0	-60.76	359.01	0.79	-59.97
COC1=CC=CC=C1SCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164758	0	41	-1.0	-50.63	369.38	4.56	-46.07
COC1=CC=CC=C1SCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164758	1	41	-1.0	-50.60	369.44	4.58	-46.02
CSCC[C@H](NC(=O)C(C)CC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020164759	0	42	-1.0	-43.90	375.66	6.55	-37.35
CSCC[C@H](NC(=O)C(C)CC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020164759	1	42	-1.0	-43.86	375.72	6.57	-37.29
CSCC[C@H](NC(=O)C1=CC=C(OCC(F)F)N=C1)C1=NN=N[N-]1	REAL300020164760	0	39	-1.0	-46.97	359.57	2.08	-44.89
CSCC[C@H](NC(=O)C1=CC=C(OCC(F)F)N=C1)C1=N[N-]N=N1	REAL300020164760	1	39	-1.0	-46.97	359.51	2.07	-44.90
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=NC=C2)N=C1)C1=N[N-]N=N1	REAL300020164761	0	42	-1.0	-46.98	368.53	3.88	-43.10
CSCC[C@H](NC(=O)C1=C(C)N(C2=CC=NC=C2)N=C1)C1=NN=N[N-]1	REAL300020164761	1	42	-1.0	-46.97	368.59	3.90	-43.07
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1OC(F)F)C1=N[N-]N=N1	REAL300020164762	0	43	-1.0	-50.42	380.52	7.20	-43.22
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C=C1OC(F)F)C1=NN=N[N-]1	REAL300020164762	1	43	-1.0	-50.41	380.58	7.21	-43.20
CSCC[C@H](NC(=O)CC1=C(C)N(CC(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300020164763	0	45	-1.0	-48.43	403.45	4.77	-43.66
CSCC[C@H](NC(=O)CC1=C(C)N(CC(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300020164763	1	45	-1.0	-48.46	403.51	4.79	-43.67
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020164764	0	42	-1.0	-44.57	364.06	6.05	-38.52
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020164764	1	42	-1.0	-44.59	364.12	6.07	-38.52
CSCC[C@H](NC(=O)CC1=C(C)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020164765	0	42	-1.0	-49.80	370.44	5.90	-43.90
CSCC[C@H](NC(=O)CC1=C(C)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020164765	1	42	-1.0	-49.80	370.49	5.91	-43.89
CCS(=O)(=O)C1=CC=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020164766	0	45	-1.0	-60.30	404.32	3.17	-57.13
CCS(=O)(=O)C1=CC=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020164766	1	45	-1.0	-60.33	404.38	3.19	-57.14
CCSC1=CC(Cl)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164767	0	40	-1.0	-46.06	371.42	6.46	-39.60
CCSC1=CC(Cl)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164767	1	40	-1.0	-46.08	371.48	6.47	-39.61
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1CCC(C)CC1	REAL300020164768	0	51	-1.0	-46.21	386.70	6.43	-39.78
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1CCC(C)CC1	REAL300020164768	1	51	-1.0	-46.17	386.76	6.45	-39.72
CSCC[C@H](NC(=O)C1=NN(CC(C)C)C(=O)CC1)C1=N[N-]N=N1	REAL300020164769	0	46	-1.0	-42.58	390.28	3.77	-38.81
CSCC[C@H](NC(=O)C1=NN(CC(C)C)C(=O)CC1)C1=NN=N[N-]1	REAL300020164769	1	46	-1.0	-42.60	390.33	3.78	-38.82
CSCC[C@H](NC(=O)C1=CC=C(O)C(F)=C1)C1=N[N-]N=N1	REAL300020164770	0	34	-1.0	-47.08	314.72	1.33	-45.75
CSCC[C@H](NC(=O)C1=CC=C(O)C(F)=C1)C1=NN=N[N-]1	REAL300020164770	1	34	-1.0	-47.13	314.77	1.35	-45.78
CSCC[C@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL300020164770	1	33	-2.0	-92.84	311.15	2.10	-90.74
CSCC[C@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL300020164770	1	33	-2.0	-92.88	311.21	2.11	-90.77
CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCCC1	REAL300020164771	0	45	-1.0	-47.19	352.31	5.16	-42.03
CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCCC1	REAL300020164771	1	45	-1.0	-47.25	352.37	5.18	-42.07
CSCC[C@H](NC(=O)C1=CC(C)=CC(C)=C1Br)C1=N[N-]N=N1	REAL300020164772	0	39	-1.0	-47.47	353.39	5.94	-41.53
CSCC[C@H](NC(=O)C1=CC(C)=CC(C)=C1Br)C1=NN=N[N-]1	REAL300020164772	1	39	-1.0	-47.45	353.44	5.95	-41.50
COCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020164773	0	47	-1.0	-49.03	405.28	4.88	-44.15
COCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020164773	1	47	-1.0	-49.04	405.34	4.90	-44.14
CNC1=NN=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020164774	0	36	-1.0	-54.30	339.96	1.00	-53.30
CNC1=NN=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020164774	1	36	-1.0	-54.31	340.02	1.01	-53.30
CCC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020164775	0	40	-1.0	-46.61	358.09	5.09	-41.52
CCC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020164775	1	40	-1.0	-46.62	358.15	5.10	-41.52
CSCC[C@H](NC(=O)C1CC1C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020164776	0	40	-1.0	-51.59	361.07	6.23	-45.36
CSCC[C@H](NC(=O)C1CC1C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020164776	1	40	-1.0	-51.62	361.13	6.24	-45.38
CSCC[C@H](NC(=O)C=CC1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020164777	0	37	-1.0	-44.91	351.05	5.46	-39.45
CSCC[C@H](NC(=O)C=CC1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020164777	1	37	-1.0	-44.87	351.11	5.48	-39.39
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1Cl	REAL300020164778	0	36	-1.0	-45.93	340.58	2.17	-43.76
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1Cl	REAL300020164778	1	36	-1.0	-45.93	340.53	2.15	-43.78
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300020164779	0	44	-1.0	-54.42	384.01	6.33	-48.09
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300020164779	1	44	-1.0	-54.44	384.07	6.35	-48.09
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)S1)C1=N[N-]N=N1	REAL300020164780	0	39	-1.0	-45.49	352.51	5.24	-40.25
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)S1)C1=NN=N[N-]1	REAL300020164780	1	39	-1.0	-45.45	352.57	5.26	-40.19
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164781	0	47	-1.0	-49.81	408.15	7.28	-42.53
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164781	1	47	-1.0	-49.77	408.20	7.29	-42.48
COC1=CC=CC=C1C(=O)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164782	0	39	-1.0	-45.52	345.40	4.48	-41.04
COC1=CC=CC=C1C(=O)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164782	1	39	-1.0	-45.52	345.46	4.49	-41.03
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=NN=N[N-]1	REAL300020164783	0	40	-1.0	-46.16	368.72	5.29	-40.87
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1)C1=N[N-]N=N1	REAL300020164783	1	40	-1.0	-46.10	368.66	5.28	-40.82
CSCC[C@H](NC(=O)C1=C(C)N=C(C)N=C1C)C1=N[N-]N=N1	REAL300020164784	0	40	-1.0	-43.78	352.61	2.94	-40.84
CSCC[C@H](NC(=O)C1=C(C)N=C(C)N=C1C)C1=NN=N[N-]1	REAL300020164784	1	40	-1.0	-43.80	352.67	2.95	-40.85
CSCC[C@H](NC(=O)C1=CC=CN=C1C(N)=O)C1=NN=N[N-]1	REAL300020164785	0	36	-1.0	-53.66	327.89	0.47	-53.19
CSCC[C@H](NC(=O)C1=CC=CN=C1C(N)=O)C1=N[N-]N=N1	REAL300020164785	1	36	-1.0	-53.68	327.83	0.45	-53.23
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)C=N1)C1=NN=N[N-]1	REAL300020164786	0	40	-1.0	-48.72	345.91	2.75	-45.97
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)C=N1)C1=N[N-]N=N1	REAL300020164786	1	40	-1.0	-48.72	345.86	2.74	-45.98
CSCC[C@H](NC(=O)CN1CCN(C)C(=O)C1)C1=N[N-]N=N1	REAL300020164787	0	42	-1.0	-56.89	353.94	0.16	-56.73
CSCC[C@H](NC(=O)CN1CCN(C)C(=O)C1)C1=NN=N[N-]1	REAL300020164787	1	42	-1.0	-56.88	354.00	0.18	-56.70
CSCC[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1=N[N-]N=N1	REAL300020164788	0	51	0.0	-49.41	378.53	6.20	-43.21
CSCC[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1=NN=N[N-]1	REAL300020164788	1	51	0.0	-49.43	378.59	6.21	-43.22
CSCC[C@H](NC(=O)C1=C2SC=CC2=CC=C1)C1=NN=N[N-]1	REAL300020164789	0	36	-1.0	-50.76	332.06	5.46	-45.30
CSCC[C@H](NC(=O)C1=C2SC=CC2=CC=C1)C1=N[N-]N=N1	REAL300020164789	1	36	-1.0	-50.76	332.01	5.44	-45.32
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CN=C1N)C1=NN=N[N-]1	REAL300020164790	0	36	-1.0	-41.34	331.30	2.10	-39.24
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CN=C1N)C1=N[N-]N=N1	REAL300020164790	1	36	-1.0	-41.32	331.24	2.09	-39.23
CSCC[C@H](NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=N[N-]N=N1	REAL300020164791	0	47	-1.0	-46.53	384.97	5.36	-41.17
CSCC[C@H](NC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=NN=N[N-]1	REAL300020164791	1	47	-1.0	-46.52	385.03	5.38	-41.14
CCCC1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CO1	REAL300020164792	0	38	-1.0	-44.95	341.52	0.96	-43.99
CCCC1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CO1	REAL300020164792	1	38	-1.0	-44.94	341.57	0.98	-43.96
CSCC[C@H](NC(=O)CSC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300020164793	0	42	-1.0	-47.24	394.91	3.87	-43.37
CSCC[C@H](NC(=O)CSC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300020164793	1	42	-1.0	-47.22	394.85	3.86	-43.36
CSCC[C@H](NC(=O)C1=C2N=C(C3=CC=CS3)NC2=CC=C1)C1=N[N-]N=N1	REAL300020164794	0	43	-1.0	-61.05	394.49	5.77	-55.28
CSCC[C@H](NC(=O)C1=C2N=C(C3=CC=CS3)NC2=CC=C1)C1=NN=N[N-]1	REAL300020164794	1	43	-1.0	-61.03	394.55	5.78	-55.25
CSCC[C@H](NC(=O)C1=CC=CC(CNC2=CC=NC(C)=N2)=C1)C1=N[N-]N=N1	REAL300020164795	0	49	-1.0	-52.05	425.56	5.56	-46.49
CSCC[C@H](NC(=O)C1=CC=CC(CNC2=CC=NC(C)=N2)=C1)C1=NN=N[N-]1	REAL300020164795	1	49	-1.0	-52.07	425.61	5.57	-46.50
CSCC[C@H](NC(=O)C1=CC=CC(CNC2=CC=[NH+]C(C)=N2)=C1)C1=NN=N[N-]1	REAL300020164795	1	50	0.0	-67.15	428.75	6.02	-61.13
CSCC[C@H](NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=N[N-]N=N1	REAL300020164796	0	38	-2.0	-85.56	367.47	0.30	-85.26
CSCC[C@H](NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=NN=N[N-]1	REAL300020164796	1	38	-2.0	-85.55	367.52	0.31	-85.24
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=N[N-]N=N1	REAL300020164797	0	37	-2.0	-88.69	341.24	2.05	-86.64
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=NN=N[N-]1	REAL300020164797	1	37	-2.0	-88.65	341.29	2.07	-86.58
CSCC[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300020164798	0	33	-2.0	-88.10	327.16	2.65	-85.45
CSCC[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300020164798	1	33	-2.0	-88.11	327.21	2.66	-85.45
CSCC[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300020164799	0	51	0.0	-60.49	396.14	6.10	-54.39
CSCC[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300020164799	1	51	0.0	-61.26	396.15	6.10	-55.16
CSCC[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300020164799	1	51	0.0	-60.51	396.20	6.11	-54.40
CSCC[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300020164799	1	51	0.0	-61.24	396.20	6.11	-55.13
CCC1CCCCC1OCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164800	0	49	-1.0	-49.08	394.76	6.15	-42.93
CCC1CCCCC1OCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164800	1	49	-1.0	-49.07	394.81	6.16	-42.91
COC1=CC=C(C(=O)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020164801	0	39	-1.0	-44.21	363.45	3.78	-40.43
COC1=CC=C(C(=O)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020164801	1	39	-1.0	-44.23	363.51	3.79	-40.44
CSCC[C@H](NC(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300020164802	0	43	-1.0	-47.31	377.71	3.93	-43.38
CSCC[C@H](NC(=O)C1=CN(C2=CN(C)N=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300020164802	1	43	-1.0	-47.34	377.65	3.91	-43.43
CSCC[C@H](NC(=O)C1=C(C)N(CC(F)F)N=C1C)C1=N[N-]N=N1	REAL300020164803	0	42	-1.0	-46.22	379.92	3.94	-42.28
CSCC[C@H](NC(=O)C1=C(C)N(CC(F)F)N=C1C)C1=NN=N[N-]1	REAL300020164803	1	42	-1.0	-46.24	379.98	3.96	-42.28
CSCC[C@H](NC(=O)C1=COC(C2CC2)=N1)C1=N[N-]N=N1	REAL300020164804	0	36	-1.0	-45.64	330.00	1.00	-44.64
CSCC[C@H](NC(=O)C1=COC(C2CC2)=N1)C1=NN=N[N-]1	REAL300020164804	1	36	-1.0	-45.64	330.06	1.01	-44.63
CSCC[C@H](NC(=O)C1=CSC(=O)N1)C1=N[N-]N=N1	REAL300020164805	0	30	-1.0	-44.43	293.48	-0.09	-44.52
CSCC[C@H](NC(=O)C1=CSC(=O)N1)C1=NN=N[N-]1	REAL300020164805	1	30	-1.0	-44.48	293.54	-0.08	-44.56
CSCC[C@H](NC(=O)C(F)(F)C(C)(C)O)C1=N[N-]N=N1	REAL300020164806	0	36	-1.0	-40.95	316.84	1.27	-39.68
CSCC[C@H](NC(=O)C(F)(F)C(C)(C)O)C1=NN=N[N-]1	REAL300020164806	1	36	-1.0	-40.93	316.90	1.29	-39.64
C=CCOC1=CC(OC)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164807	0	45	-1.0	-51.52	388.98	5.44	-46.08
C=CCOC1=CC(OC)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164807	1	45	-1.0	-51.52	389.04	5.46	-46.06
CSCC[C@H](NC(=O)C1=NC=C(C)C=C1O)C1=N[N-]N=N1	REAL300020164808	0	36	-1.0	-48.24	325.04	1.55	-46.69
CSCC[C@H](NC(=O)C1=NC=C(C)C=C1O)C1=NN=N[N-]1	REAL300020164808	1	36	-1.0	-48.25	325.10	1.57	-46.68
CSCC[C@H](NC(=O)C1=NC=C(C)C=C1[O-])C1=N[N-]N=N1	REAL300020164808	1	35	-2.0	-113.01	321.48	2.55	-110.46
CSCC[C@H](NC(=O)C1=NC=C(C)C=C1[O-])C1=NN=N[N-]1	REAL300020164808	1	35	-2.0	-112.98	321.54	2.57	-110.41
CSCC[C@H](NC(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL300020164809	0	43	-1.0	-51.62	394.27	4.86	-46.76
CSCC[C@H](NC(=O)C1=NOC(COC2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL300020164809	1	43	-1.0	-51.62	394.33	4.87	-46.75
CSCC[C@H](NC(=O)C1=CC=NC(OC2CCOC2)=C1)C1=NN=N[N-]1	REAL300020164810	0	44	-1.0	-48.07	381.60	1.37	-46.70
CSCC[C@H](NC(=O)C1=CC=NC(OC2CCOC2)=C1)C1=N[N-]N=N1	REAL300020164810	1	44	-1.0	-48.08	381.54	1.35	-46.73
CSCC[C@H](NC(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020164811	0	45	-1.0	-47.56	403.78	7.35	-40.21
CSCC[C@H](NC(=O)CCCC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020164811	1	45	-1.0	-47.59	403.84	7.37	-40.22
CSCC[C@H](NC(=O)C1=NN(C)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL300020164812	0	37	-1.0	-50.80	345.27	0.77	-50.03
CSCC[C@H](NC(=O)C1=NN(C)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL300020164812	1	37	-1.0	-50.82	345.22	0.76	-50.06
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020164813	0	53	-1.0	-53.37	429.07	7.90	-45.47
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020164813	1	53	-1.0	-53.37	429.12	7.91	-45.46
CSCC[C@H](NC(=O)C1=C(C)C(C2=CC=CC=C2)=NN1)C1=N[N-]N=N1	REAL300020164814	0	43	-1.0	-45.04	374.85	4.65	-40.39
CSCC[C@H](NC(=O)C1=C(C)C(C2=CC=CC=C2)=NN1)C1=NN=N[N-]1	REAL300020164814	1	43	-1.0	-44.97	374.91	4.67	-40.30
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020164815	0	41	-1.0	-45.31	377.31	2.97	-42.34
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020164815	1	41	-1.0	-45.28	377.37	2.99	-42.29
CSCC[C@H](NC(=O)C1=C2C=CC=NN2N=C1)C1=NN=N[N-]1	REAL300020164816	0	35	-1.0	-52.60	320.68	2.12	-50.48
CSCC[C@H](NC(=O)C1=C2C=CC=NN2N=C1)C1=N[N-]N=N1	REAL300020164816	1	35	-1.0	-52.60	320.63	2.11	-50.49
CSCC[C@H](NC(=O)CN1C(C)=CC(C)=NC1=O)C1=N[N-]N=N1	REAL300020164817	0	41	-1.0	-69.36	360.80	2.31	-67.05
CSCC[C@H](NC(=O)CN1C(C)=CC(C)=NC1=O)C1=NN=N[N-]1	REAL300020164817	1	41	-1.0	-69.36	360.86	2.33	-67.03
CSCC[C@H](NC(=O)C1=CC(Br)=C(C)NC1=O)C1=N[N-]N=N1	REAL300020164818	0	36	-1.0	-53.83	339.09	2.41	-51.42
CSCC[C@H](NC(=O)C1=CC(Br)=C(C)NC1=O)C1=NN=N[N-]1	REAL300020164818	1	36	-1.0	-53.88	339.15	2.42	-51.46
CSCC[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=N[N-]N=N1	REAL300020164819	0	41	-2.0	-93.91	375.24	1.11	-92.80
CSCC[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=NN=N[N-]1	REAL300020164819	1	41	-2.0	-93.90	375.30	1.13	-92.77
CCNS(=O)(=O)C1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020164820	0	47	-1.0	-53.62	419.80	1.79	-51.83
CCNS(=O)(=O)C1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020164820	1	47	-1.0	-53.62	419.86	1.80	-51.82
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CC2)O1)C1=N[N-]N=N1	REAL300020164821	0	39	-1.0	-44.19	347.79	1.86	-42.33
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CC2)O1)C1=NN=N[N-]1	REAL300020164821	1	39	-1.0	-44.19	347.84	1.88	-42.31
CSCC[C@H](NC(=O)CC1=CC=C2COCC2=C1)C1=N[N-]N=N1	REAL300020164822	0	41	-1.0	-48.80	358.13	4.06	-44.74
CSCC[C@H](NC(=O)CC1=CC=C2COCC2=C1)C1=NN=N[N-]1	REAL300020164822	1	41	-1.0	-48.74	358.18	4.07	-44.67
CSCC[C@H](NC(=O)C(C)CCC(C)(C)C)C1=N[N-]N=N1	REAL300020164823	0	47	-1.0	-45.74	376.55	5.54	-40.20
CSCC[C@H](NC(=O)C(C)CCC(C)(C)C)C1=NN=N[N-]1	REAL300020164823	1	47	-1.0	-45.77	376.61	5.56	-40.21
CSCC[C@H](NC(=O)C(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020164824	0	35	-1.0	-39.52	324.46	3.98	-35.54
CSCC[C@H](NC(=O)C(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020164824	1	35	-1.0	-39.51	324.52	3.99	-35.52
COCCC(C)(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164825	0	42	-1.0	-48.43	348.48	2.57	-45.86
COCCC(C)(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164825	1	42	-1.0	-48.42	348.54	2.59	-45.83
CNS(=O)(=O)C1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020164826	0	44	-1.0	-54.01	398.76	0.93	-53.08
CNS(=O)(=O)C1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020164826	1	44	-1.0	-53.99	398.82	0.95	-53.04
CSCC[C@H](NC(=O)C(C)=CC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020164827	0	40	-1.0	-47.96	375.82	6.73	-41.23
CSCC[C@H](NC(=O)C(C)=CC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020164827	1	40	-1.0	-48.00	375.88	6.75	-41.25
CSCC[C@H](NC(=O)C1=NC(C)=C(C)N=C1C)C1=N[N-]N=N1	REAL300020164828	0	40	-1.0	-46.27	344.68	2.26	-44.01
CSCC[C@H](NC(=O)C1=NC(C)=C(C)N=C1C)C1=NN=N[N-]1	REAL300020164828	1	40	-1.0	-46.30	344.74	2.28	-44.02
CSCC[C@H](NC(=O)C1=CC(C)=CC(Br)=C1)C1=N[N-]N=N1	REAL300020164829	0	36	-1.0	-44.16	340.23	5.36	-38.80
CSCC[C@H](NC(=O)C1=CC(C)=CC(Br)=C1)C1=NN=N[N-]1	REAL300020164829	1	36	-1.0	-44.15	340.29	5.37	-38.78
CSCC[C@H](NC(=O)C(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300020164830	0	41	-1.0	-45.82	371.34	6.00	-39.82
CSCC[C@H](NC(=O)C(C)C1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300020164830	1	41	-1.0	-45.81	371.40	6.02	-39.79
CSCC[C@H](NC(=O)C1=CC=C2N=NN(C)C2=C1)C1=NN=N[N-]1	REAL300020164831	0	38	-1.0	-46.62	340.60	2.69	-43.93
CSCC[C@H](NC(=O)C1=CC=C2N=NN(C)C2=C1)C1=N[N-]N=N1	REAL300020164831	1	38	-1.0	-46.61	340.54	2.67	-43.94
CSCC[C@H](NC(=O)C(C)CC(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020164832	0	44	-1.0	-43.69	395.83	6.52	-37.17
CSCC[C@H](NC(=O)C(C)CC(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020164832	1	44	-1.0	-43.69	395.89	6.54	-37.15
COC1=CC=C(C2(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CCC2)C=C1OC	REAL300020164833	0	51	-1.0	-46.29	423.36	5.57	-40.72
COC1=CC=C(C2(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CCC2)C=C1OC	REAL300020164833	1	51	-1.0	-46.27	423.42	5.58	-40.69
CSCC[C@H](NC(=O)CC1CCOC(C)(C)C1)C1=N[N-]N=N1	REAL300020164834	0	46	-1.0	-44.76	367.80	3.79	-40.97
CSCC[C@H](NC(=O)CC1CCOC(C)(C)C1)C1=NN=N[N-]1	REAL300020164834	1	46	-1.0	-44.77	367.86	3.80	-40.97
CSCC[C@H](NC(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=N[N-]N=N1	REAL300020164835	0	41	-1.0	-49.85	374.71	5.12	-44.73
CSCC[C@H](NC(=O)CC1=CC(Cl)=CC2=C1OCC2)C1=NN=N[N-]1	REAL300020164835	1	41	-1.0	-49.84	374.77	5.13	-44.71
CCCCSC1=CC=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164836	0	46	-1.0	-46.34	414.42	8.05	-38.29
CCCCSC1=CC=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164836	1	46	-1.0	-46.34	414.48	8.06	-38.28
CSCC[C@H](NC(=O)C(=O)N1CCC(C)CC1)C1=N[N-]N=N1	REAL300020164837	0	43	-1.0	-42.05	356.68	2.99	-39.06
CSCC[C@H](NC(=O)C(=O)N1CCC(C)CC1)C1=NN=N[N-]1	REAL300020164837	1	43	-1.0	-42.10	356.74	3.00	-39.10
CSCC[C@H](NC(=O)C(=O)N1CCCC(C)C1)C1=N[N-]N=N1	REAL300020164838	0	43	-1.0	-41.14	356.91	3.05	-38.09
CSCC[C@H](NC(=O)C(=O)N1CCCC(C)C1)C1=NN=N[N-]1	REAL300020164838	1	43	-1.0	-41.14	356.97	3.06	-38.08
CSCC[C@H](NC(=O)C1=COC(C2CCOCC2)=N1)C1=N[N-]N=N1	REAL300020164839	0	43	-1.0	-45.21	373.40	0.28	-44.93
CSCC[C@H](NC(=O)C1=COC(C2CCOCC2)=N1)C1=NN=N[N-]1	REAL300020164839	1	43	-1.0	-45.22	373.46	0.30	-44.92
CNC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300020164840	0	40	-1.0	-47.49	351.29	4.05	-43.44
CNC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300020164840	1	40	-1.0	-47.51	351.34	4.06	-43.45
CSCC[C@H](NC(=O)C1=CC=C(OC2CCCC2)N=C1)C1=NN=N[N-]1	REAL300020164841	0	46	-1.0	-44.30	390.51	3.99	-40.31
CSCC[C@H](NC(=O)C1=CC=C(OC2CCCC2)N=C1)C1=N[N-]N=N1	REAL300020164841	1	46	-1.0	-44.22	390.46	3.97	-40.25
CSCC[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020164842	0	50	-1.0	-49.51	420.73	2.82	-46.69
CSCC[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020164842	1	50	-1.0	-49.52	420.78	2.84	-46.68
CSCC[C@H](NC(=O)C1=CC=CC(C(N)=O)=N1)C1=NN=N[N-]1	REAL300020164843	0	36	-1.0	-45.44	331.76	-0.79	-46.23
CSCC[C@H](NC(=O)C1=CC=CC(C(N)=O)=N1)C1=N[N-]N=N1	REAL300020164843	1	36	-1.0	-45.49	331.70	-0.81	-46.30
CSCC[C@H](NC(=O)C1(C)CCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020164844	0	56	-1.0	-47.10	435.74	5.93	-41.17
CSCC[C@H](NC(=O)C1(C)CCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020164844	1	56	-1.0	-47.08	435.80	5.94	-41.14
CSCC[C@H](NC(=O)C1=C(C2CCCC2)N=CS1)C1=N[N-]N=N1	REAL300020164845	0	42	-1.0	-45.84	365.93	4.51	-41.33
CSCC[C@H](NC(=O)C1=C(C2CCCC2)N=CS1)C1=NN=N[N-]1	REAL300020164845	1	42	-1.0	-45.84	365.99	4.52	-41.32
COC1=CC=C(C(=O)CCCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020164846	0	51	-1.0	-49.12	436.07	6.27	-42.85
COC1=CC=C(C(=O)CCCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020164846	1	51	-1.0	-49.12	436.13	6.28	-42.84
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C1=N[N-]N=N1	REAL300020164847	0	42	-1.0	-48.33	375.41	3.23	-45.10
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C1=NN=N[N-]1	REAL300020164847	1	42	-1.0	-48.31	375.47	3.25	-45.06
CSCC[C@H](NC(=O)CC1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=N[N-]N=N1	REAL300020164848	0	48	-1.0	-55.55	422.00	3.80	-51.75
CSCC[C@H](NC(=O)CC1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=NN=N[N-]1	REAL300020164848	1	48	-1.0	-55.55	422.06	3.81	-51.74
CSCC[C@H](NC(=O)C1=CC(C)=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300020164849	0	39	-1.0	-47.90	349.10	5.81	-42.09
CSCC[C@H](NC(=O)C1=CC(C)=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300020164849	1	39	-1.0	-47.89	349.16	5.83	-42.06
CSCC[C@H](NC(=O)C(=O)C1=CC(F)=CC=C1C)C1=N[N-]N=N1	REAL300020164850	0	38	-1.0	-43.61	340.69	4.68	-38.93
CSCC[C@H](NC(=O)C(=O)C1=CC(F)=CC=C1C)C1=NN=N[N-]1	REAL300020164850	1	38	-1.0	-43.59	340.74	4.69	-38.90
CSCC[C@H](NC(=O)CC1CCOC(C(C)C)C1)C1=N[N-]N=N1	REAL300020164851	0	49	-1.0	-44.80	392.04	4.76	-40.04
CSCC[C@H](NC(=O)CC1CCOC(C(C)C)C1)C1=NN=N[N-]1	REAL300020164851	1	49	-1.0	-44.80	392.10	4.77	-40.03
CSCC[C@H](NC(=O)CNC(=O)C1=C(C)OC=C1)C1=N[N-]N=N1	REAL300020164852	0	40	-1.0	-45.68	358.18	1.36	-44.32
CSCC[C@H](NC(=O)CNC(=O)C1=C(C)OC=C1)C1=NN=N[N-]1	REAL300020164852	1	40	-1.0	-45.68	358.23	1.37	-44.31
CCOC1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CO1	REAL300020164853	0	36	-1.0	-45.06	331.38	-1.34	-46.40
CCOC1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CO1	REAL300020164853	1	36	-1.0	-45.08	331.33	-1.35	-46.43
CSCC[C@H](NC(=O)CSC1=NN=C2C=CC=CN21)C1=NN=N[N-]1	REAL300020164854	0	39	-1.0	-52.13	366.04	5.75	-46.38
CSCC[C@H](NC(=O)CSC1=NN=C2C=CC=CN21)C1=N[N-]N=N1	REAL300020164854	1	39	-1.0	-52.10	365.99	5.73	-46.37
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C)O2)S1)C1=N[N-]N=N1	REAL300020164855	0	40	-1.0	-46.26	374.18	5.83	-40.43
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C)O2)S1)C1=NN=N[N-]1	REAL300020164855	1	40	-1.0	-46.27	374.24	5.84	-40.43
CCC1=NN=C(C)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164856	0	40	-1.0	-44.04	344.59	3.20	-40.84
CCC1=NN=C(C)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164856	1	40	-1.0	-44.06	344.65	3.21	-40.85
CCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C)N=N1	REAL300020164857	0	40	-1.0	-43.67	346.59	3.26	-40.41
CCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C)N=N1	REAL300020164857	1	40	-1.0	-43.63	346.65	3.28	-40.35
CSCC[C@H](NC(=O)C1=CN(CC2(C)COC2)N=N1)C1=NN=N[N-]1	REAL300020164858	0	43	-1.0	-48.95	373.69	1.14	-47.81
CSCC[C@H](NC(=O)C1=CN(CC2(C)COC2)N=N1)C1=N[N-]N=N1	REAL300020164858	1	43	-1.0	-48.94	373.63	1.12	-47.82
CSCC[C@H](NC(=O)C1=COC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020164859	0	34	-1.0	-52.84	319.04	-1.11	-53.95
CSCC[C@H](NC(=O)C1=COC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020164859	1	34	-1.0	-52.86	319.10	-1.09	-53.95
CSCC[C@H](NC(=O)C1CC2(CC(C#N)C2)C1)C1=N[N-]N=N1	REAL300020164860	0	41	-1.0	-54.09	357.17	5.20	-48.89
CSCC[C@H](NC(=O)C1CC2(CC(C#N)C2)C1)C1=NN=N[N-]1	REAL300020164860	1	41	-1.0	-54.08	357.23	5.22	-48.86
COC1=CC2=C(C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)OCO2	REAL300020164861	0	40	-1.0	-48.86	350.85	3.31	-45.55
COC1=CC2=C(C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)OCO2	REAL300020164861	1	40	-1.0	-48.87	350.90	3.32	-45.55
CCC1CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCO1	REAL300020164862	0	46	-1.0	-44.80	375.03	4.23	-40.57
CCC1CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCO1	REAL300020164862	1	46	-1.0	-44.85	375.08	4.24	-40.61
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1N1C=NN=N1	REAL300020164863	0	42	-1.0	-49.56	372.91	3.83	-45.73
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1N1C=NN=N1	REAL300020164863	1	42	-1.0	-49.58	372.85	3.81	-45.77
CSCC[C@H](NC(=O)C1=C2CN(C)CCC2=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020164864	0	50	-1.0	-48.45	412.65	3.43	-45.02
CSCC[C@H](NC(=O)C1=C2CN(C)CCC2=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020164864	1	50	-1.0	-48.50	412.71	3.44	-45.06
CSCC[C@H](NC(=O)C=CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL300020164865	0	38	-1.0	-47.18	343.06	2.44	-44.74
CSCC[C@H](NC(=O)C=CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL300020164865	1	38	-1.0	-47.17	343.11	2.45	-44.72
CSCC[C@H](NC(=O)C(Br)C(C)(C)C)C1=N[N-]N=N1	REAL300020164866	0	38	-1.0	-44.20	332.86	3.97	-40.23
CSCC[C@H](NC(=O)C(Br)C(C)(C)C)C1=NN=N[N-]1	REAL300020164866	1	38	-1.0	-44.18	332.92	3.99	-40.19
CSCC[C@H](NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020164867	0	35	-2.0	-91.24	330.92	3.84	-87.40
CSCC[C@H](NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020164867	1	35	-2.0	-91.24	330.98	3.86	-87.38
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1O	REAL300020164868	0	38	-1.0	-47.06	337.71	1.24	-45.82
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1O	REAL300020164868	1	38	-1.0	-47.09	337.77	1.26	-45.83
CSCC[C@H](NC(=O)CC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL300020164869	0	37	-1.0	-50.29	333.18	1.91	-48.38
CSCC[C@H](NC(=O)CC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL300020164869	1	37	-1.0	-50.33	333.24	1.92	-48.41
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL300020164870	0	33	-2.0	-95.57	321.81	2.21	-93.36
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL300020164870	1	33	-2.0	-95.56	321.87	2.22	-93.34
CSCC[C@H](NC(=O)CCC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL300020164871	0	40	-1.0	-46.36	354.58	2.71	-43.65
CSCC[C@H](NC(=O)CCC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL300020164871	1	40	-1.0	-46.36	354.64	2.73	-43.63
CSCC[C@H](NC(=O)C1=CC=C(O)C(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020164872	0	44	-1.0	-48.73	387.14	5.02	-43.71
CSCC[C@H](NC(=O)C1=CC=C(O)C(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020164872	1	44	-1.0	-48.74	387.19	5.03	-43.71
CSCC[C@H](NC(=O)CNC(=O)CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL300020164873	0	44	-1.0	-47.29	392.15	0.41	-46.88
CSCC[C@H](NC(=O)CNC(=O)CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL300020164873	1	44	-1.0	-47.31	392.21	0.42	-46.89
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=C(C)C=C1O)C1=N[N-]N=N1	REAL300020164874	0	47	-1.0	-57.12	408.87	2.41	-54.71
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=C(C)C=C1O)C1=NN=N[N-]1	REAL300020164874	1	47	-1.0	-57.10	408.93	2.43	-54.67
CSCC[C@H](NC(=O)C1=CC=CC2=NNN=C21)C1=NN=N[N-]1	REAL300020164875	0	35	-1.0	-54.48	318.20	1.42	-53.06
CSCC[C@H](NC(=O)C1=CC=CC2=NNN=C21)C1=N[N-]N=N1	REAL300020164875	1	35	-1.0	-54.50	318.14	1.41	-53.09
CSCC[C@H](NC(=O)CCCC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL300020164876	0	43	-1.0	-49.45	376.08	3.50	-45.95
CSCC[C@H](NC(=O)CCCC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL300020164876	1	43	-1.0	-49.42	376.13	3.51	-45.91
CSCC[C@H](NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL300020164877	0	33	-2.0	-90.66	317.36	2.17	-88.49
CSCC[C@H](NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL300020164877	1	33	-2.0	-90.65	317.42	2.19	-88.46
CCCCC(ON=C(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164878	0	48	-1.0	-49.34	406.39	6.24	-43.10
CCCCC(ON=C(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164878	1	48	-1.0	-49.32	406.45	6.26	-43.06
CSCC[C@H](NC(=O)C1=CC(N(C)C)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020164879	0	46	-1.0	-47.30	387.77	6.12	-41.18
CSCC[C@H](NC(=O)C1=CC(N(C)C)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020164879	1	46	-1.0	-47.30	387.72	6.11	-41.19
CNC(=O)CCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164880	0	39	-1.0	-57.36	343.26	0.88	-56.48
CNC(=O)CCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164880	1	39	-1.0	-57.38	343.31	0.89	-56.49
CSCC[C@H](NC(=O)C1(C)CCCCCC1)C1=N[N-]N=N1	REAL300020164881	0	45	-1.0	-45.37	336.09	5.38	-39.99
CSCC[C@H](NC(=O)C1(C)CCCCCC1)C1=NN=N[N-]1	REAL300020164881	1	45	-1.0	-45.36	336.14	5.40	-39.96
CSCC[C@H](NC(=O)C1=C(C)N(C2CCCCC2)N=C1)C1=N[N-]N=N1	REAL300020164882	0	49	-1.0	-46.35	402.13	5.77	-40.58
CSCC[C@H](NC(=O)C1=C(C)N(C2CCCCC2)N=C1)C1=NN=N[N-]1	REAL300020164882	1	49	-1.0	-46.35	402.19	5.78	-40.57
CSCC[C@H](NC(=O)C1=CC(=O)NC(Cl)=C1)C1=N[N-]N=N1	REAL300020164883	0	33	-1.0	-46.30	319.29	1.40	-44.90
CSCC[C@H](NC(=O)C1=CC(=O)NC(Cl)=C1)C1=NN=N[N-]1	REAL300020164883	1	33	-1.0	-46.32	319.35	1.42	-44.90
COC1=CC=C(CC(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020164884	0	50	-1.0	-47.35	417.71	5.23	-42.12
COC1=CC=C(CC(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020164884	1	50	-1.0	-47.36	417.77	5.25	-42.11
CSCC[C@H](NC(=O)C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1)C1=N[N-]N=N1	REAL300020164885	0	43	-1.0	-57.19	388.42	5.68	-51.51
CSCC[C@H](NC(=O)C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1)C1=NN=N[N-]1	REAL300020164885	1	43	-1.0	-57.19	388.48	5.70	-51.49
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1C(C)C	REAL300020164886	0	50	-1.0	-45.68	409.95	5.10	-40.58
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1C(C)C	REAL300020164886	1	50	-1.0	-45.69	410.01	5.11	-40.58
CSCC[C@H](NC(=O)CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020164887	0	43	-1.0	-55.30	391.33	6.61	-48.69
CSCC[C@H](NC(=O)CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020164887	1	43	-1.0	-55.32	391.38	6.63	-48.69
CCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NN1C	REAL300020164888	0	39	-1.0	-50.24	344.53	3.10	-47.14
CCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NN1C	REAL300020164888	1	39	-1.0	-50.24	344.58	3.11	-47.13
CSCC[C@H](NC(=O)C1=CC2=NC=CN=C2N=C1)C1=NN=N[N-]1	REAL300020164889	0	36	-1.0	-50.82	328.75	1.60	-49.22
CSCC[C@H](NC(=O)C1=CC2=NC=CN=C2N=C1)C1=N[N-]N=N1	REAL300020164889	1	36	-1.0	-50.78	328.70	1.58	-49.20
CSCC[C@H](NC(=O)C1=CC=C(C2=NN(C)C=N2)C=C1)C1=NN=N[N-]1	REAL300020164890	0	42	-1.0	-52.03	375.65	6.21	-45.82
CSCC[C@H](NC(=O)C1=CC=C(C2=NN(C)C=N2)C=C1)C1=N[N-]N=N1	REAL300020164890	1	42	-1.0	-52.05	375.59	6.20	-45.85
CSCC[C@H](NC(=O)CC(C)(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164891	0	43	-1.0	-47.46	363.62	3.75	-43.71
CSCC[C@H](NC(=O)CC(C)(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164891	1	43	-1.0	-47.44	363.68	3.76	-43.68
CSCC[C@H](NC(=O)C1=C(Br)N(C)N=C1)C1=NN=N[N-]1	REAL300020164892	0	33	-1.0	-45.66	320.09	2.29	-43.37
CSCC[C@H](NC(=O)C1=C(Br)N(C)N=C1)C1=N[N-]N=N1	REAL300020164892	1	33	-1.0	-45.63	320.03	2.28	-43.35
CSCC[C@H](NC(=O)C1CC(C)CC(C)C1)C1=N[N-]N=N1	REAL300020164893	0	45	-1.0	-46.31	365.00	5.54	-40.77
CSCC[C@H](NC(=O)C1CC(C)CC(C)C1)C1=NN=N[N-]1	REAL300020164893	1	45	-1.0	-46.33	365.06	5.56	-40.77
CSCC[C@H](NC(=O)C1=CC2=C(C=N1)OCCC2)C1=N[N-]N=N1	REAL300020164894	0	40	-1.0	-47.11	348.42	3.02	-44.09
CSCC[C@H](NC(=O)C1=CC2=C(C=N1)OCCC2)C1=NN=N[N-]1	REAL300020164894	1	40	-1.0	-47.10	348.48	3.03	-44.07
CCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020164895	0	39	-1.0	-46.84	345.64	3.47	-43.37
CCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020164895	1	39	-1.0	-46.82	345.59	3.46	-43.36
CSCC[C@H](NC(=O)C1=CC=CN=C1C1CC1)C1=N[N-]N=N1	REAL300020164896	0	39	-1.0	-47.35	339.53	4.65	-42.70
CSCC[C@H](NC(=O)C1=CC=CN=C1C1CC1)C1=NN=N[N-]1	REAL300020164896	1	39	-1.0	-47.33	339.59	4.66	-42.67
CSCC[C@H](NC(=O)CC(NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300020164897	0	53	-1.0	-50.39	430.07	4.86	-45.53
CSCC[C@H](NC(=O)CC(NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300020164897	1	53	-1.0	-50.36	430.12	4.87	-45.49
CSCC[C@H](NC(=O)C1=CC(C2=CN(C)N=C2)=CC=C1F)C1=NN=N[N-]1	REAL300020164898	0	43	-1.0	-55.75	382.18	5.48	-50.27
CSCC[C@H](NC(=O)C1=CC(C2=CN(C)N=C2)=CC=C1F)C1=N[N-]N=N1	REAL300020164898	1	43	-1.0	-55.73	382.13	5.47	-50.26
CSCC[C@H](NC(=O)C1=CN(C)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020164899	0	37	-1.0	-55.82	344.05	4.73	-51.09
CSCC[C@H](NC(=O)C1=CN(C)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020164899	1	37	-1.0	-55.79	344.11	4.75	-51.04
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(F)C(F)=C2)=N1)C1=NN=N[N-]1	REAL300020164900	0	39	-1.0	-48.56	377.54	5.03	-43.53
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(F)C(F)=C2)=N1)C1=N[N-]N=N1	REAL300020164900	1	39	-1.0	-48.59	377.48	5.01	-43.58
CSCC[C@H](NC(=O)CCCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020164901	0	52	-1.0	-51.23	431.66	3.10	-48.13
CSCC[C@H](NC(=O)CCCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020164901	1	52	-1.0	-51.21	431.72	3.11	-48.10
CSCC[C@H](NC(=O)[C@@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164902	0	39	-1.0	-45.82	338.09	5.31	-40.51
CSCC[C@H](NC(=O)[C@@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164902	1	39	-1.0	-45.83	338.15	5.33	-40.50
CSCC[C@H](NC(=O)[C@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164903	0	39	-1.0	-48.11	338.07	5.31	-42.80
CSCC[C@H](NC(=O)[C@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164903	1	39	-1.0	-48.12	338.13	5.33	-42.79
CCC1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCO1	REAL300020164904	0	43	-1.0	-45.02	356.35	3.51	-41.51
CCC1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCO1	REAL300020164904	1	43	-1.0	-45.07	356.41	3.52	-41.55
CSCC[C@H](NC(=O)C1=CN(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300020164905	0	42	-1.0	-47.07	365.44	4.24	-42.83
CSCC[C@H](NC(=O)C1=CN(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300020164905	1	42	-1.0	-47.10	365.39	4.22	-42.88
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1SC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164906	0	47	-1.0	-50.66	412.09	8.74	-41.92
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1SC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164906	1	47	-1.0	-50.70	412.15	8.76	-41.94
CSCC[C@H](NC(=O)COCCNC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020164907	0	47	-1.0	-53.02	413.14	3.63	-49.39
CSCC[C@H](NC(=O)COCCNC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020164907	1	47	-1.0	-53.03	413.20	3.64	-49.39
CSCC[C@H](NC(=O)CCCOC(C)C)C1=N[N-]N=N1	REAL300020164908	0	42	-1.0	-47.84	359.44	3.33	-44.51
CSCC[C@H](NC(=O)CCCOC(C)C)C1=NN=N[N-]1	REAL300020164908	1	42	-1.0	-47.84	359.50	3.34	-44.50
CSCC[C@H](NC(=O)C1=CN(C(C)(C)C)N=C1C)C1=N[N-]N=N1	REAL300020164909	0	45	-1.0	-48.56	380.53	4.44	-44.12
CSCC[C@H](NC(=O)C1=CN(C(C)(C)C)N=C1C)C1=NN=N[N-]1	REAL300020164909	1	45	-1.0	-48.53	380.58	4.45	-44.08
CSCC[C@H](NC(=O)C1=CN=C(OC(C)C)C=N1)C1=NN=N[N-]1	REAL300020164910	0	41	-1.0	-43.49	363.78	0.85	-42.64
CSCC[C@H](NC(=O)C1=CN=C(OC(C)C)C=N1)C1=N[N-]N=N1	REAL300020164910	1	41	-1.0	-43.45	363.72	0.84	-42.61
CSCC[C@H](NC(=O)C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020164911	0	39	-1.0	-49.39	362.67	5.13	-44.26
CSCC[C@H](NC(=O)C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020164911	1	39	-1.0	-49.39	362.72	5.14	-44.25
COCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020164912	0	43	-1.0	-48.45	375.86	2.35	-46.10
COCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020164912	1	43	-1.0	-48.41	375.91	2.36	-46.05
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=N[N-]N=N1	REAL300020164913	0	35	-2.0	-102.41	330.97	4.29	-98.12
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=NN=N[N-]1	REAL300020164913	1	35	-2.0	-102.38	331.02	4.31	-98.07
CSCC[C@H](NC(=O)C1CCCCS1(=O)=O)C1=N[N-]N=N1	REAL300020164914	0	39	-1.0	-64.05	343.75	0.39	-63.66
CSCC[C@H](NC(=O)C1CCCCS1(=O)=O)C1=NN=N[N-]1	REAL300020164914	1	39	-1.0	-64.09	343.81	0.40	-63.69
CSCC[C@H](NC(=O)C(=O)NCC(F)F)C1=N[N-]N=N1	REAL300020164915	0	33	-1.0	-44.11	313.67	-0.23	-44.34
CSCC[C@H](NC(=O)C(=O)NCC(F)F)C1=NN=N[N-]1	REAL300020164915	1	33	-1.0	-44.12	313.73	-0.21	-44.33
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1Cl)C1=N[N-]N=N1	REAL300020164916	0	33	-1.0	-47.78	329.44	5.15	-42.63
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1Cl)C1=NN=N[N-]1	REAL300020164916	1	33	-1.0	-47.78	329.50	5.17	-42.61
CSCC[C@H](NC(=O)C1=C(C)N(C)C2=NC=NN2C1C)C1=NN=N[N-]1	REAL300020164917	0	45	-1.0	-42.71	381.40	6.72	-35.99
CSCC[C@H](NC(=O)C1=C(C)N(C)C2=NC=NN2C1C)C1=N[N-]N=N1	REAL300020164917	1	45	-1.0	-42.73	381.34	6.70	-36.03
CSCC[C@H](NC(=O)C(C)N(C)CC(F)(F)F)C1=N[N-]N=N1	REAL300020164918	0	40	-1.0	-45.38	344.65	1.93	-43.45
CSCC[C@H](NC(=O)C(C)N(C)CC(F)(F)F)C1=NN=N[N-]1	REAL300020164918	1	40	-1.0	-45.38	344.70	1.95	-43.43
CSCC[C@H](NC(=O)C1=CC(F)=CC2=NNN=C21)C1=N[N-]N=N1	REAL300020164919	0	35	-1.0	-48.52	324.51	1.47	-47.05
CSCC[C@H](NC(=O)C1=CC(F)=CC2=NNN=C21)C1=NN=N[N-]1	REAL300020164919	1	35	-1.0	-48.52	324.57	1.48	-47.04
CSCC[C@H](NC(=O)C12CC(C3=CC=CC=C3)(C1)C2)C1=N[N-]N=N1	REAL300020164920	0	44	-1.0	-46.14	379.67	7.25	-38.89
CSCC[C@H](NC(=O)C12CC(C3=CC=CC=C3)(C1)C2)C1=NN=N[N-]1	REAL300020164920	1	44	-1.0	-46.13	379.72	7.27	-38.86
CCCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL300020164921	0	52	-1.0	-48.43	438.12	7.80	-40.63
CCCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300020164921	1	52	-1.0	-48.36	438.18	7.82	-40.54
CSCC[C@H](NC(=O)C1=NN2CCCOC2=C1)C1=NN=N[N-]1	REAL300020164922	0	38	-1.0	-49.39	336.34	0.95	-48.44
CSCC[C@H](NC(=O)C1=NN2CCCOC2=C1)C1=N[N-]N=N1	REAL300020164922	1	38	-1.0	-49.44	336.29	0.94	-48.50
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020164923	0	40	-1.0	-45.61	344.49	5.81	-39.80
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020164923	1	40	-1.0	-45.62	344.54	5.83	-39.79
CSCC[C@H](NC(=O)C(C)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020164924	0	41	-1.0	-48.00	366.32	5.97	-42.03
CSCC[C@H](NC(=O)C(C)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020164924	1	41	-1.0	-48.01	366.38	5.99	-42.02
COC1=CC=C2CCC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C2=C1	REAL300020164925	0	44	-1.0	-50.25	369.55	5.35	-44.90
COC1=CC=C2CCC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C2=C1	REAL300020164925	1	44	-1.0	-50.21	369.61	5.37	-44.84
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164926	0	42	-1.0	-48.01	384.94	4.15	-43.86
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164926	1	42	-1.0	-48.01	384.89	4.13	-43.88
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCO1	REAL300020164927	0	41	-1.0	-44.68	336.93	3.92	-40.76
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCO1	REAL300020164927	1	41	-1.0	-44.72	336.98	3.94	-40.78
CSCC[C@H](NC(=O)C1=CC(Br)=C(F)C=C1F)C1=N[N-]N=N1	REAL300020164928	0	33	-1.0	-43.77	329.05	4.83	-38.94
CSCC[C@H](NC(=O)C1=CC(Br)=C(F)C=C1F)C1=NN=N[N-]1	REAL300020164928	1	33	-1.0	-43.81	329.11	4.85	-38.96
COC(=O)C12CCC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)(CC1)C2	REAL300020164929	0	46	-1.0	-51.33	386.42	5.13	-46.20
COC(=O)C12CCC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)(CC1)C2	REAL300020164929	1	46	-1.0	-51.33	386.48	5.15	-46.18
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OCCC(C)C)=C1	REAL300020164930	0	53	-1.0	-51.46	436.65	6.97	-44.49
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OCCC(C)C)=C1	REAL300020164930	1	53	-1.0	-51.44	436.70	6.98	-44.46
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C(CC)CC	REAL300020164931	0	51	-1.0	-47.04	416.46	5.96	-41.08
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C(CC)CC	REAL300020164931	1	51	-1.0	-47.07	416.52	5.98	-41.09
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(CCC#N)N=C1)C1=NN=N[N-]1	REAL300020164932	0	47	-1.0	-49.72	417.90	6.53	-43.19
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(CCC#N)N=C1)C1=N[N-]N=N1	REAL300020164932	1	47	-1.0	-49.77	417.85	6.52	-43.25
CSCC[C@H](NC(=O)C1=CNN=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020164933	0	32	-1.0	-56.82	303.21	3.09	-53.73
CSCC[C@H](NC(=O)C1=CNN=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020164933	1	32	-1.0	-56.85	303.27	3.10	-53.75
CSCC[C@H](NC(=O)C(F)(F)C1(O)CCCC1)C1=N[N-]N=N1	REAL300020164934	0	40	-1.0	-38.93	341.75	1.45	-37.48
CSCC[C@H](NC(=O)C(F)(F)C1(O)CCCC1)C1=NN=N[N-]1	REAL300020164934	1	40	-1.0	-38.89	341.81	1.46	-37.43
CSCC[C@H](NC(=O)C1(C(=O)N(C)C)CC1)C1=N[N-]N=N1	REAL300020164935	0	40	-1.0	-46.83	347.08	2.33	-44.50
CSCC[C@H](NC(=O)C1(C(=O)N(C)C)CC1)C1=NN=N[N-]1	REAL300020164935	1	40	-1.0	-46.90	347.14	2.35	-44.55
CSCC[C@H](NC(=O)C1(CC(C)=O)CCC1)C1=N[N-]N=N1	REAL300020164936	0	41	-1.0	-55.42	348.32	4.62	-50.80
CSCC[C@H](NC(=O)C1(CC(C)=O)CCC1)C1=NN=N[N-]1	REAL300020164936	1	41	-1.0	-55.42	348.38	4.63	-50.79
CSCC[C@H](NC(=O)C#CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020164937	0	38	-1.0	-44.04	368.00	6.44	-37.60
CSCC[C@H](NC(=O)C#CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020164937	1	38	-1.0	-44.06	368.06	6.46	-37.60
CCN1C=C([N+](=O)[O-])C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020164938	0	38	-1.0	-57.14	348.33	4.36	-52.78
CCN1C=C([N+](=O)[O-])C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020164938	1	38	-1.0	-57.12	348.27	4.34	-52.78
CSCC[C@H](NC(=O)C1=C(Cl)C(C)=CS1)C1=N[N-]N=N1	REAL300020164939	0	33	-1.0	-46.72	323.25	4.22	-42.50
CSCC[C@H](NC(=O)C1=C(Cl)C(C)=CS1)C1=NN=N[N-]1	REAL300020164939	1	33	-1.0	-46.75	323.31	4.24	-42.51
CSCC[C@H](NC(=O)C(F)(F)C1CCOCC1)C1=N[N-]N=N1	REAL300020164940	0	40	-1.0	-39.14	341.49	2.76	-36.38
CSCC[C@H](NC(=O)C(F)(F)C1CCOCC1)C1=NN=N[N-]1	REAL300020164940	1	40	-1.0	-39.16	341.54	2.77	-36.39
COC1=CC(OC2CC2)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164941	0	45	-1.0	-50.96	385.28	5.60	-45.36
COC1=CC(OC2CC2)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164941	1	45	-1.0	-50.93	385.34	5.62	-45.31
CSCC[C@H](NC(=O)C1=CC=C(C2CCC2)C=C1)C1=N[N-]N=N1	REAL300020164942	0	43	-1.0	-46.20	363.25	6.67	-39.53
CSCC[C@H](NC(=O)C1=CC=C(C2CCC2)C=C1)C1=NN=N[N-]1	REAL300020164942	1	43	-1.0	-46.19	363.30	6.69	-39.50
CSCC[C@H](NC(=O)CCC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020164943	0	38	-1.0	-47.96	337.74	3.80	-44.16
CSCC[C@H](NC(=O)CCC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020164943	1	38	-1.0	-47.96	337.79	3.81	-44.15
CCCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL300020164944	0	52	-1.0	-47.80	434.86	8.07	-39.73
CCCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL300020164944	1	52	-1.0	-47.76	434.92	8.09	-39.67
CCCCN1N=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1CC	REAL300020164945	0	48	-1.0	-46.57	400.06	5.29	-41.28
CCCCN1N=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1CC	REAL300020164945	1	48	-1.0	-46.57	400.11	5.31	-41.26
CSCC[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=N[N-]N=N1	REAL300020164946	0	38	-2.0	-88.07	350.24	-0.10	-88.17
CSCC[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=NN=N[N-]1	REAL300020164946	1	38	-2.0	-88.11	350.30	-0.09	-88.20
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1CCC(C)C	REAL300020164947	0	51	-1.0	-46.21	417.62	5.81	-40.40
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1CCC(C)C	REAL300020164947	1	51	-1.0	-46.20	417.68	5.82	-40.38
CSCC[C@H](NC(=O)C(F)(F)C1=NC=CS1)C1=NN=N[N-]1	REAL300020164948	0	32	-1.0	-43.99	317.18	2.24	-41.75
CSCC[C@H](NC(=O)C(F)(F)C1=NC=CS1)C1=N[N-]N=N1	REAL300020164948	1	32	-1.0	-43.96	317.12	2.22	-41.74
CSCC[C@H](NC(=O)C1=CC(Cl)=CS1)C1=N[N-]N=N1	REAL300020164949	0	30	-1.0	-44.20	306.55	3.60	-40.60
CSCC[C@H](NC(=O)C1=CC(Cl)=CS1)C1=NN=N[N-]1	REAL300020164949	1	30	-1.0	-44.23	306.61	3.61	-40.62
CSCC[C@H](NC(=O)C1=CC(Br)=NN1C)C1=NN=N[N-]1	REAL300020164950	0	33	-1.0	-41.16	319.70	2.32	-38.84
CSCC[C@H](NC(=O)C1=CC(Br)=NN1C)C1=N[N-]N=N1	REAL300020164950	1	33	-1.0	-41.15	319.65	2.31	-38.84
CSCC[C@H](NC(=O)C1=CC(F)=C(C(F)(F)F)C(F)=C1)C1=N[N-]N=N1	REAL300020164951	0	36	-1.0	-40.60	345.19	5.13	-35.47
CSCC[C@H](NC(=O)C1=CC(F)=C(C(F)(F)F)C(F)=C1)C1=NN=N[N-]1	REAL300020164951	1	36	-1.0	-40.63	345.24	5.15	-35.48
CSCC[C@H](NC(=O)[C@@H](C)C1=CC=C(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300020164952	0	51	-1.0	-45.55	419.23	8.00	-37.55
CSCC[C@H](NC(=O)[C@@H](C)C1=CC=C(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300020164952	1	51	-1.0	-45.58	419.29	8.01	-37.57
CSCC[C@H](NC(=O)CC1=CC=C2NC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020164953	0	40	-1.0	-51.40	357.94	1.58	-49.82
CSCC[C@H](NC(=O)CC1=CC=C2NC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020164953	1	40	-1.0	-51.47	358.00	1.59	-49.88
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1F)C1=N[N-]N=N1	REAL300020164954	0	33	-1.0	-50.67	322.68	4.75	-45.92
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1F)C1=NN=N[N-]1	REAL300020164954	1	33	-1.0	-50.67	322.73	4.77	-45.90
CSCC[C@H](NC(=O)CCC1=CC=NC=N1)C1=N[N-]N=N1	REAL300020164955	0	37	-1.0	-47.28	332.71	3.59	-43.69
CSCC[C@H](NC(=O)CCC1=CC=NC=N1)C1=NN=N[N-]1	REAL300020164955	1	37	-1.0	-47.28	332.77	3.60	-43.68
CSCC[C@H](NC(=O)C1=C(C)SC(Cl)=N1)C1=NN=N[N-]1	REAL300020164956	0	32	-1.0	-43.97	318.96	2.41	-41.56
CSCC[C@H](NC(=O)C1=C(C)SC(Cl)=N1)C1=N[N-]N=N1	REAL300020164956	1	32	-1.0	-43.94	318.90	2.39	-41.55
CSCC[C@H](NC(=O)C(F)(F)C1(O)CCCCC1)C1=N[N-]N=N1	REAL300020164957	0	43	-1.0	-38.28	356.38	3.26	-35.02
CSCC[C@H](NC(=O)C(F)(F)C1(O)CCCCC1)C1=NN=N[N-]1	REAL300020164957	1	43	-1.0	-38.33	356.44	3.27	-35.06
CCCOC1=CC=CN=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164958	0	42	-1.0	-53.10	365.66	4.66	-48.44
CCCOC1=CC=CN=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164958	1	42	-1.0	-53.10	365.61	4.65	-48.45
COCCOC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020164959	0	47	-1.0	-50.39	407.14	4.26	-46.13
COCCOC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020164959	1	47	-1.0	-50.42	407.19	4.27	-46.15
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300020164960	0	52	-1.0	-49.92	437.45	7.58	-42.34
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300020164960	1	52	-1.0	-49.92	437.39	7.56	-42.36
CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC(C)C)=C1	REAL300020164961	0	53	-1.0	-51.03	437.35	7.20	-43.83
CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC(C)C)=C1	REAL300020164961	1	53	-1.0	-51.02	437.41	7.22	-43.80
CSCC[C@H](NC(=O)C1=C2CC(CNC(C)=O)CCN2N=C1)C1=N[N-]N=N1	REAL300020164962	0	50	-1.0	-55.50	421.14	2.57	-52.93
CSCC[C@H](NC(=O)C1=C2CC(CNC(C)=O)CCN2N=C1)C1=NN=N[N-]1	REAL300020164962	1	50	-1.0	-55.47	421.20	2.59	-52.88
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(CCO)N=C1)C1=NN=N[N-]1	REAL300020164963	0	47	-1.0	-49.05	408.49	2.68	-46.37
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(CCO)N=C1)C1=N[N-]N=N1	REAL300020164963	1	47	-1.0	-49.06	408.43	2.67	-46.39
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=N[N-]N=N1	REAL300020164964	0	48	0.0	-68.05	387.95	6.51	-61.54
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300020164964	1	48	0.0	-68.08	388.01	6.53	-61.55
CSCC[C@H](NC(=O)C(=O)C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300020164965	0	32	-1.0	-40.12	326.71	3.59	-36.53
CSCC[C@H](NC(=O)C(=O)C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300020164965	1	32	-1.0	-40.15	326.77	3.60	-36.55
COC(C)(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1F	REAL300020164966	0	43	-1.0	-49.89	360.86	4.12	-45.77
COC(C)(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1F	REAL300020164966	1	43	-1.0	-49.90	360.91	4.14	-45.76
CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OCCC)=C1	REAL300020164967	0	53	-1.0	-50.71	440.93	7.40	-43.31
CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OCCC)=C1	REAL300020164967	1	53	-1.0	-50.69	440.99	7.41	-43.28
CSCC[C@H](NC(=O)C1=CN=C(OCC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020164968	0	45	-1.0	-44.23	403.55	2.99	-41.24
CSCC[C@H](NC(=O)C1=CN=C(OCC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020164968	1	45	-1.0	-44.25	403.49	2.97	-41.28
CSCC[C@H](NC(=O)CC1=CC=CC(Br)=C1C)C1=N[N-]N=N1	REAL300020164969	0	39	-1.0	-47.53	357.01	5.75	-41.78
CSCC[C@H](NC(=O)CC1=CC=CC(Br)=C1C)C1=NN=N[N-]1	REAL300020164969	1	39	-1.0	-47.53	357.07	5.77	-41.76
CCC1=NN(C)C(CC)=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164970	0	48	-1.0	-51.78	407.03	5.00	-46.78
CCC1=NN(C)C(CC)=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164970	1	48	-1.0	-51.75	407.08	5.01	-46.74
CCOC1=C(Cl)C=CC=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020164971	0	43	-1.0	-52.47	389.88	5.63	-46.84
CCOC1=C(Cl)C=CC=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020164971	1	43	-1.0	-52.43	389.94	5.65	-46.78
CSCC[C@H](NC(=O)C1=CC=C(C2=NNC=C2)S1)C1=N[N-]N=N1	REAL300020164972	0	37	-1.0	-48.78	351.53	3.31	-45.47
CSCC[C@H](NC(=O)C1=CC=C(C2=NNC=C2)S1)C1=NN=N[N-]1	REAL300020164972	1	37	-1.0	-48.77	351.59	3.33	-45.44
CSCC[C@H](NC(=O)C1=NC=CN2C=C(C)N=C12)C1=N[N-]N=N1	REAL300020164973	0	38	-1.0	-58.78	343.28	3.68	-55.10
CSCC[C@H](NC(=O)C1=NC=CN2C=C(C)N=C12)C1=NN=N[N-]1	REAL300020164973	1	38	-1.0	-58.76	343.33	3.70	-55.06
CSCC[C@H](NC(=O)C1=CC=NC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020164974	0	35	-1.0	-47.91	323.29	3.34	-44.57
CSCC[C@H](NC(=O)C1=CC=NC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020164974	1	35	-1.0	-47.93	323.24	3.32	-44.61
CSCC[C@H](NC(=O)C1CCCC[N@@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300020164975	0	52	0.0	-53.94	390.45	6.46	-47.48
CSCC[C@H](NC(=O)C1CCCC[N@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300020164975	1	52	0.0	-52.19	395.31	6.34	-45.85
CSCC[C@H](NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020164976	0	40	-1.0	-47.72	364.43	5.78	-41.94
CSCC[C@H](NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020164976	1	40	-1.0	-47.71	364.49	5.79	-41.92
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(=O)OC	REAL300020164977	0	38	-1.0	-46.22	336.47	3.01	-43.21
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(=O)OC	REAL300020164977	1	38	-1.0	-46.28	336.53	3.03	-43.25
CSCC[C@H](NC(=O)CCOCC(F)(F)C(F)(F)F)C1=N[N-]N=N1	REAL300020164978	0	39	-1.0	-43.33	367.57	3.40	-39.93
CSCC[C@H](NC(=O)CCOCC(F)(F)C(F)(F)F)C1=NN=N[N-]1	REAL300020164978	1	39	-1.0	-43.30	367.63	3.42	-39.88
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(O)=C1	REAL300020164979	0	40	-1.0	-47.42	349.25	4.04	-43.38
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(O)=C1	REAL300020164979	1	40	-1.0	-47.45	349.31	4.06	-43.39
CSCC[C@H](NC(=O)C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)C1=N[N-]N=N1	REAL300020164980	0	45	-1.0	-60.49	394.92	6.08	-54.41
CSCC[C@H](NC(=O)C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)C1=NN=N[N-]1	REAL300020164980	1	45	-1.0	-60.48	394.98	6.09	-54.39
CSCC[C@H](NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020164981	0	50	-1.0	-49.34	429.33	2.68	-46.66
CSCC[C@H](NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020164981	1	50	-1.0	-49.30	429.39	2.70	-46.60
CSCC[C@H](NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300020164982	0	54	-1.0	-55.16	441.30	5.45	-49.71
CSCC[C@H](NC(=O)C1CC12CCN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300020164982	1	54	-1.0	-55.20	441.36	5.47	-49.73
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020164983	0	43	-1.0	-57.77	385.27	5.69	-52.08
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020164983	1	43	-1.0	-57.80	385.32	5.71	-52.09
CSCC[C@H](NC(=O)C1C2CCC(O2)C1C(F)(F)F)C1=N[N-]N=N1	REAL300020164984	0	41	-1.0	-51.15	343.66	3.51	-47.64
CSCC[C@H](NC(=O)C1C2CCC(O2)C1C(F)(F)F)C1=NN=N[N-]1	REAL300020164984	1	41	-1.0	-51.10	343.72	3.52	-47.58
CSCC[C@H](NC(=O)C1=CN=CC(Cl)=N1)C1=NN=N[N-]1	REAL300020164985	0	31	-1.0	-42.29	306.49	0.94	-41.35
CSCC[C@H](NC(=O)C1=CN=CC(Cl)=N1)C1=N[N-]N=N1	REAL300020164985	1	31	-1.0	-42.24	306.43	0.92	-41.32
CSCC[C@H](NC(=O)C1=CN(CC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300020164986	0	36	-1.0	-49.19	342.00	3.21	-45.98
CSCC[C@H](NC(=O)C1=CN(CC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300020164986	1	36	-1.0	-49.21	341.94	3.19	-46.02
CSCC[C@H](NC(=O)C1=CC=C(OC(C)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020164987	0	50	-1.0	-47.51	425.57	8.01	-39.50
CSCC[C@H](NC(=O)C1=CC=C(OC(C)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020164987	1	50	-1.0	-47.52	425.62	8.02	-39.50
CSCC[C@H](NC(=O)C1=CC=CC(NC(C)=O)=C1C)C1=N[N-]N=N1	REAL300020164988	0	43	-1.0	-48.09	367.08	3.89	-44.20
CSCC[C@H](NC(=O)C1=CC=CC(NC(C)=O)=C1C)C1=NN=N[N-]1	REAL300020164988	1	43	-1.0	-48.06	367.13	3.90	-44.16
CSCC[C@H](NC(=O)C1=CC(NC(C)=O)=CC=C1C)C1=N[N-]N=N1	REAL300020164989	0	43	-1.0	-48.12	369.73	3.65	-44.47
CSCC[C@H](NC(=O)C1=CC(NC(C)=O)=CC=C1C)C1=NN=N[N-]1	REAL300020164989	1	43	-1.0	-48.15	369.79	3.66	-44.49
CSCC[C@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020164990	0	55	-1.0	-49.14	453.16	3.88	-45.26
CSCC[C@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020164990	1	55	-1.0	-49.18	453.22	3.90	-45.28
CSCC[C@H](NC(=O)C1=CSC(Cl)=C1)C1=N[N-]N=N1	REAL300020164991	0	30	-1.0	-45.38	305.90	3.63	-41.75
CSCC[C@H](NC(=O)C1=CSC(Cl)=C1)C1=NN=N[N-]1	REAL300020164991	1	30	-1.0	-45.38	305.96	3.64	-41.74
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020164992	0	42	-1.0	-43.92	371.34	6.43	-37.49
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020164992	1	42	-1.0	-43.89	371.40	6.45	-37.44
C#CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCCC1	REAL300020164993	0	44	-1.0	-48.48	351.85	6.06	-42.42
C#CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCCC1	REAL300020164993	1	44	-1.0	-48.50	351.91	6.07	-42.43
CSCC[C@H](NC(=O)C1=CC(N2CCNC(=O)C2)=CC=N1)C1=N[N-]N=N1	REAL300020164994	0	45	-1.0	-59.92	380.36	-0.92	-60.84
CSCC[C@H](NC(=O)C1=CC(N2CCNC(=O)C2)=CC=N1)C1=NN=N[N-]1	REAL300020164994	1	45	-1.0	-59.89	380.41	-0.91	-60.80
CSCC[C@H](NC(=O)C1CCC(=O)C(C)C1(C)C)C1=N[N-]N=N1	REAL300020164995	0	47	-1.0	-47.94	366.83	4.51	-43.43
CSCC[C@H](NC(=O)C1CCC(=O)C(C)C1(C)C)C1=NN=N[N-]1	REAL300020164995	1	47	-1.0	-48.00	366.89	4.52	-43.48
CCCN1C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020164996	0	46	-1.0	-46.50	392.51	7.28	-39.22
CCCN1C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020164996	1	46	-1.0	-46.54	392.57	7.29	-39.25
CSCC[C@H](NC(=O)CC1CCC2(CC1)OCCO2)C1=N[N-]N=N1	REAL300020164997	0	48	-1.0	-47.08	387.48	3.91	-43.17
CSCC[C@H](NC(=O)CC1CCC2(CC1)OCCO2)C1=NN=N[N-]1	REAL300020164997	1	48	-1.0	-47.06	387.54	3.93	-43.13
CSCC[C@H](NC(=O)C1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=N[N-]N=N1	REAL300020164998	0	43	-1.0	-48.76	389.48	6.87	-41.89
CSCC[C@H](NC(=O)C1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=NN=N[N-]1	REAL300020164998	1	43	-1.0	-48.76	389.54	6.89	-41.87
COC1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020164999	0	43	-1.0	-44.87	355.77	3.33	-41.54
COC1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020164999	1	43	-1.0	-44.87	355.83	3.35	-41.52
CSCC[C@H](NC(=O)C1=CNN=C1C1=CSC=C1)C1=N[N-]N=N1	REAL300020165000	0	37	-1.0	-49.44	344.01	3.11	-46.33
CSCC[C@H](NC(=O)C1=CNN=C1C1=CSC=C1)C1=NN=N[N-]1	REAL300020165000	1	37	-1.0	-49.45	344.07	3.13	-46.32
CSCC[C@H](NC(=O)C1(C2=CC=CN=C2)CC1)C1=N[N-]N=N1	REAL300020165001	0	39	-1.0	-47.42	345.70	4.08	-43.34
CSCC[C@H](NC(=O)C1(C2=CC=CN=C2)CC1)C1=NN=N[N-]1	REAL300020165001	1	39	-1.0	-47.44	345.75	4.09	-43.35
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C)C(C)=C2)=NN1)C1=N[N-]N=N1	REAL300020165002	0	46	-1.0	-45.20	397.41	5.32	-39.88
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C)C(C)=C2)=NN1)C1=NN=N[N-]1	REAL300020165002	1	46	-1.0	-45.18	397.47	5.33	-39.85
COC1C2CC3CC1CC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)(C3)C2	REAL300020165003	0	51	-1.0	-45.42	392.69	5.13	-40.29
COC1C2CC3CC1CC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)(C3)C2	REAL300020165003	1	51	-1.0	-45.43	392.74	5.14	-40.29
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020165004	0	43	-1.0	-55.48	380.28	3.19	-52.29
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020165004	1	43	-1.0	-55.48	380.22	3.17	-52.31
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)OC(C)=C1C)C1=N[N-]N=N1	REAL300020165005	0	46	-1.0	-50.23	400.02	7.07	-43.16
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)OC(C)=C1C)C1=NN=N[N-]1	REAL300020165005	1	46	-1.0	-50.22	400.08	7.09	-43.13
CCCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Cl	REAL300020165006	0	42	-1.0	-44.20	374.47	6.66	-37.54
CCCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Cl	REAL300020165006	1	42	-1.0	-44.23	374.52	6.68	-37.55
CSCC[C@H](NC(=O)C1=CNC=C(F)C1=O)C1=N[N-]N=N1	REAL300020165007	0	33	-1.0	-61.75	306.84	2.12	-59.63
CSCC[C@H](NC(=O)C1=CNC=C(F)C1=O)C1=NN=N[N-]1	REAL300020165007	1	33	-1.0	-61.74	306.90	2.14	-59.60
CSCC[C@H](NC(=O)CC1OCCCO1)C1=N[N-]N=N1	REAL300020165008	0	38	-1.0	-46.03	327.47	2.15	-43.88
CSCC[C@H](NC(=O)CC1OCCCO1)C1=NN=N[N-]1	REAL300020165008	1	38	-1.0	-46.02	327.53	2.17	-43.85
CCCCCC(C)(CC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165009	0	50	-1.0	-47.22	395.24	6.31	-40.91
CCCCCC(C)(CC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165009	1	50	-1.0	-47.21	395.30	6.32	-40.89
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=N1)C1=NN=N[N-]1	REAL300020165010	0	39	-1.0	-45.39	371.61	4.31	-41.08
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(Cl)=C2)N=N1)C1=N[N-]N=N1	REAL300020165010	1	39	-1.0	-45.35	371.55	4.30	-41.05
CSCC[C@H](NC(=O)C1=CNN=C1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020165011	0	40	-1.0	-54.48	357.35	1.87	-52.61
CSCC[C@H](NC(=O)C1=CNN=C1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020165011	1	40	-1.0	-54.49	357.41	1.88	-52.61
CCN1C=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020165012	0	39	-1.0	-48.57	346.56	3.43	-45.14
CCN1C=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020165012	1	39	-1.0	-48.59	346.50	3.42	-45.17
CSCC[C@H](NC(=O)C1=CC=C(C(=O)C2=CC=CC(O)=C2)C=C1)C1=N[N-]N=N1	REAL300020165013	0	46	-1.0	-47.59	405.16	4.49	-43.10
CSCC[C@H](NC(=O)C1=CC=C(C(=O)C2=CC=CC(O)=C2)C=C1)C1=NN=N[N-]1	REAL300020165013	1	46	-1.0	-47.61	405.22	4.51	-43.10
CSCC[C@H](NC(=O)C1=CNC(=O)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020165014	0	39	-1.0	-48.63	343.41	3.33	-45.30
CSCC[C@H](NC(=O)C1=CNC(=O)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020165014	1	39	-1.0	-48.65	343.35	3.31	-45.34
COC1=CC=C(SCCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020165015	0	47	-1.0	-49.12	413.32	6.08	-43.04
COC1=CC=C(SCCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020165015	1	47	-1.0	-49.12	413.38	6.10	-43.02
CSCC[C@H](NC(=O)CN(C)C1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020165016	0	44	-1.0	-52.85	376.22	-1.17	-54.02
CSCC[C@H](NC(=O)CN(C)C1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020165016	1	44	-1.0	-52.88	376.27	-1.16	-54.04
COC1=CC=CC(CC(O)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165017	0	44	-1.0	-47.97	382.80	2.77	-45.20
COC1=CC=CC(CC(O)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165017	1	44	-1.0	-47.95	382.86	2.78	-45.17
CSCC[C@H](NC(=O)CC1=CC(C(F)(F)F)=CC(Cl)=N1)C1=N[N-]N=N1	REAL300020165018	0	38	-1.0	-47.30	371.78	4.59	-42.71
CSCC[C@H](NC(=O)CC1=CC(C(F)(F)F)=CC(Cl)=N1)C1=NN=N[N-]1	REAL300020165018	1	38	-1.0	-47.28	371.84	4.60	-42.68
CSCC[C@H](NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020165019	0	47	-1.0	-62.04	392.68	4.12	-57.92
CSCC[C@H](NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020165019	1	47	-1.0	-62.04	392.73	4.14	-57.90
CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)C1C)C1=N[N-]N=N1	REAL300020165020	0	53	-1.0	-53.76	424.83	4.83	-48.93
CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)C1C)C1=NN=N[N-]1	REAL300020165020	1	53	-1.0	-53.77	424.89	4.85	-48.92
CSCC[C@H](NC(=O)C1=CN(C(C)C)N=C1)C1=NN=N[N-]1	REAL300020165021	0	39	-1.0	-46.82	342.79	3.23	-43.59
CSCC[C@H](NC(=O)C1=CN(C(C)C)N=C1)C1=N[N-]N=N1	REAL300020165021	1	39	-1.0	-46.82	342.73	3.21	-43.61
CSCC[C@H](NC(=O)C1CCCC(C(N)=O)C1)C1=N[N-]N=N1	REAL300020165022	0	43	-1.0	-58.24	359.06	1.00	-57.24
CSCC[C@H](NC(=O)C1CCCC(C(N)=O)C1)C1=NN=N[N-]1	REAL300020165022	1	43	-1.0	-58.21	359.12	1.01	-57.20
CCC1=CC=CC=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165023	0	42	-1.0	-47.05	357.89	5.90	-41.15
CCC1=CC=CC=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165023	1	42	-1.0	-47.12	357.95	5.91	-41.21
CSCC[C@H](NC(=O)C1=NN(C2=C(F)C=CC=C2F)C=C1C)C1=NN=N[N-]1	REAL300020165024	0	43	-1.0	-53.18	385.25	6.06	-47.12
CSCC[C@H](NC(=O)C1=NN(C2=C(F)C=CC=C2F)C=C1C)C1=N[N-]N=N1	REAL300020165024	1	43	-1.0	-53.14	385.19	6.05	-47.09
CSCC[C@H](NC(=O)CCCC1=CC=C(O)C(F)=C1)C1=N[N-]N=N1	REAL300020165025	0	43	-1.0	-51.49	382.30	3.57	-47.92
CSCC[C@H](NC(=O)CCCC1=CC=C(O)C(F)=C1)C1=NN=N[N-]1	REAL300020165025	1	43	-1.0	-51.54	382.36	3.59	-47.95
CSCC[C@H](NC(=O)C1=NC(Br)=CC=C1C)C1=NN=N[N-]1	REAL300020165026	0	35	-1.0	-45.59	332.32	3.56	-42.03
CSCC[C@H](NC(=O)C1=NC(Br)=CC=C1C)C1=N[N-]N=N1	REAL300020165026	1	35	-1.0	-45.57	332.27	3.54	-42.03
COC(=O)C1=CC(O)=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165027	0	40	-1.0	-51.51	363.31	1.90	-49.61
COC(=O)C1=CC(O)=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165027	1	40	-1.0	-51.51	363.36	1.91	-49.60
CSCC[C@H](NC(=O)C1=NOC2=C1CCCCC2)C1=N[N-]N=N1	REAL300020165028	0	42	-1.0	-46.46	350.94	4.54	-41.92
CSCC[C@H](NC(=O)C1=NOC2=C1CCCCC2)C1=NN=N[N-]1	REAL300020165028	1	42	-1.0	-46.46	351.00	4.55	-41.91
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=N[N-]N=N1	REAL300020165029	0	44	-1.0	-49.94	362.57	4.69	-45.25
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C)C1=NN=N[N-]1	REAL300020165029	1	44	-1.0	-49.95	362.63	4.71	-45.24
COC1=CC(C)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165030	0	40	-1.0	-51.50	346.25	5.30	-46.20
COC1=CC(C)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165030	1	40	-1.0	-51.45	346.31	5.31	-46.14
CSCC[C@H](NC(=O)C1=CC(Cl)=NC=C1Cl)C1=NN=N[N-]1	REAL300020165031	0	32	-1.0	-42.01	322.35	3.25	-38.76
CSCC[C@H](NC(=O)C1=CC(Cl)=NC=C1Cl)C1=N[N-]N=N1	REAL300020165031	1	32	-1.0	-41.95	322.29	3.24	-38.71
CSCC[C@H](NC(=O)C1=CC=NC(F)=C1F)C1=NN=N[N-]1	REAL300020165032	0	32	-1.0	-49.24	303.73	2.34	-46.90
CSCC[C@H](NC(=O)C1=CC=NC(F)=C1F)C1=N[N-]N=N1	REAL300020165032	1	32	-1.0	-49.27	303.67	2.32	-46.95
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N=NN1)C1=N[N-]N=N1	REAL300020165033	0	39	-1.0	-44.94	349.58	2.70	-42.24
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N=NN1)C1=NN=N[N-]1	REAL300020165033	1	39	-1.0	-44.99	349.64	2.72	-42.27
CSCC[C@H](NC(=O)C1=NNN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165033	1	39	-1.0	-44.67	348.54	2.65	-42.02
CSCC[C@H](NC(=O)C1=NNN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165033	1	39	-1.0	-44.68	348.60	2.66	-42.02
CSCC[C@H](NC(=O)C1=C(N2C=NN=C2)N(C)N=C1)C1=NN=N[N-]1	REAL300020165034	0	39	-1.0	-50.92	349.77	5.23	-45.69
CSCC[C@H](NC(=O)C1=C(N2C=NN=C2)N(C)N=C1)C1=N[N-]N=N1	REAL300020165034	1	39	-1.0	-50.94	349.71	5.22	-45.72
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2F)CC1)C1=N[N-]N=N1	REAL300020165035	0	43	-1.0	-55.88	376.46	6.67	-49.21
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2F)CC1)C1=NN=N[N-]1	REAL300020165035	1	43	-1.0	-55.88	376.52	6.69	-49.19
CSCC[C@H](NC(=O)CC(C)(C)CC(C)=O)C1=N[N-]N=N1	REAL300020165036	0	43	-1.0	-52.11	350.75	4.27	-47.84
CSCC[C@H](NC(=O)CC(C)(C)CC(C)=O)C1=NN=N[N-]1	REAL300020165036	1	43	-1.0	-52.10	350.81	4.28	-47.82
CSCC[C@H](NC(=O)C1=CC=C(C#N)C(O)=C1)C1=N[N-]N=N1	REAL300020165037	0	35	-1.0	-46.60	328.69	1.67	-44.93
CSCC[C@H](NC(=O)C1=CC=C(C#N)C(O)=C1)C1=NN=N[N-]1	REAL300020165037	1	35	-1.0	-46.60	328.75	1.69	-44.91
CSCC[C@H](NC(=O)C1=CC=C(C#N)C([O-])=C1)C1=N[N-]N=N1	REAL300020165037	1	34	-2.0	-96.17	325.11	2.45	-93.72
CSCC[C@H](NC(=O)C1=CC=C(C#N)C([O-])=C1)C1=NN=N[N-]1	REAL300020165037	1	34	-2.0	-96.19	325.16	2.47	-93.72
COC1=CC=C(F)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1OC	REAL300020165038	0	41	-1.0	-53.84	364.82	3.35	-50.49
COC1=CC=C(F)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1OC	REAL300020165038	1	41	-1.0	-53.90	364.88	3.37	-50.53
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2C)CCC1)C1=N[N-]N=N1	REAL300020165039	0	46	-1.0	-49.21	378.26	6.69	-42.52
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2C)CCC1)C1=NN=N[N-]1	REAL300020165039	1	46	-1.0	-49.16	378.31	6.70	-42.46
COC1=CC=C(OC)C(C2CC2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165040	0	48	-1.0	-49.75	407.93	4.74	-45.01
COC1=CC=C(OC)C(C2CC2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165040	1	48	-1.0	-49.72	407.98	4.76	-44.96
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CN=C1Br	REAL300020165041	0	36	-1.0	-42.74	342.81	2.18	-40.56
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CN=C1Br	REAL300020165041	1	36	-1.0	-42.71	342.75	2.16	-40.55
COCCOC1=CC(OC)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165042	0	48	-1.0	-55.20	409.71	4.10	-51.10
COCCOC1=CC(OC)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165042	1	48	-1.0	-55.19	409.76	4.11	-51.08
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OCC2CC2)=C1	REAL300020165043	0	48	-1.0	-52.22	407.75	6.44	-45.78
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OCC2CC2)=C1	REAL300020165043	1	48	-1.0	-52.24	407.81	6.46	-45.78
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300020165044	0	42	-1.0	-48.06	371.26	6.20	-41.86
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300020165044	1	42	-1.0	-48.04	371.32	6.23	-41.81
COCCN1N=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165045	0	40	-1.0	-45.82	353.36	1.74	-44.08
COCCN1N=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165045	1	40	-1.0	-45.79	353.29	1.72	-44.07
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)SC=N1)C1=NN=N[N-]1	REAL300020165046	0	39	-1.0	-47.84	361.59	4.95	-42.89
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)SC=N1)C1=N[N-]N=N1	REAL300020165046	1	39	-1.0	-47.86	361.53	4.93	-42.93
CSCC[C@H](NC(=O)CC(C)(C)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020165047	0	48	-1.0	-46.12	404.64	7.59	-38.53
CSCC[C@H](NC(=O)CC(C)(C)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020165047	1	48	-1.0	-46.08	404.70	7.60	-38.48
C=CC(C)(CCOC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165048	0	43	-1.0	-47.96	354.24	3.64	-44.32
C=CC(C)(CCOC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165048	1	43	-1.0	-47.90	354.30	3.64	-44.26
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020165049	0	36	-1.0	-47.32	344.41	5.62	-41.70
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020165049	1	36	-1.0	-47.27	344.46	5.64	-41.63
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(F)=C1	REAL300020165050	0	39	-1.0	-48.26	356.81	4.83	-43.43
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(F)=C1	REAL300020165050	1	39	-1.0	-48.22	356.87	4.84	-43.38
CC[C@H]1CC[C@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020165051	0	45	-1.0	-46.01	362.39	5.59	-40.42
CC[C@H]1CC[C@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020165051	1	45	-1.0	-45.97	362.44	5.61	-40.36
CSCC[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300020165052	0	51	-1.0	-49.79	419.35	3.77	-46.02
CSCC[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300020165052	1	51	-1.0	-49.80	419.41	3.79	-46.01
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020165053	0	44	-1.0	-50.87	392.35	4.65	-46.22
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020165053	1	44	-1.0	-50.80	392.29	4.64	-46.16
CSCC[C@H](NC(=O)C1COC2=CC(C)=C(C)C=C21)C1=N[N-]N=N1	REAL300020165054	0	44	-1.0	-51.29	374.32	4.98	-46.31
CSCC[C@H](NC(=O)C1COC2=CC(C)=C(C)C=C21)C1=NN=N[N-]1	REAL300020165054	1	44	-1.0	-51.31	374.37	5.00	-46.31
CSCC[C@H](NC(=O)C1=CC=C(OC(F)F)C=N1)C1=NN=N[N-]1	REAL300020165055	0	36	-1.0	-47.64	334.07	1.91	-45.73
CSCC[C@H](NC(=O)C1=CC=C(OC(F)F)C=N1)C1=N[N-]N=N1	REAL300020165055	1	36	-1.0	-47.63	334.01	1.90	-45.73
CSCC[C@H](NC(=O)C1=CSC(Br)=C1C)C1=N[N-]N=N1	REAL300020165056	0	33	-1.0	-44.20	325.44	4.35	-39.85
CSCC[C@H](NC(=O)C1=CSC(Br)=C1C)C1=NN=N[N-]1	REAL300020165056	1	33	-1.0	-44.24	325.50	4.37	-39.87
CCOC(=O)CON=C(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=NNC=C1	REAL300020165057	0	46	-1.0	-51.23	413.86	3.10	-48.13
CCOC(=O)CON=C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=NNC=C1	REAL300020165057	1	46	-1.0	-51.22	413.92	3.12	-48.10
CSCC[C@H](NC(=O)C1=CC(O)=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020165058	0	37	-1.0	-49.59	338.68	2.24	-47.35
CSCC[C@H](NC(=O)C1=CC(O)=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020165058	1	37	-1.0	-49.55	338.74	2.26	-47.29
CSCC[C@H](NC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N1C)C1=NN=N[N-]1	REAL300020165059	0	45	-1.0	-54.48	394.28	6.48	-48.00
CSCC[C@H](NC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N1C)C1=N[N-]N=N1	REAL300020165059	1	45	-1.0	-54.47	394.23	6.47	-48.00
CSCC[C@H](NC(=O)C1=CC(N2CC(C)OC(C)C2)=CC=N1)C1=N[N-]N=N1	REAL300020165060	0	51	-1.0	-47.65	421.48	2.69	-44.96
CSCC[C@H](NC(=O)C1=CC(N2CC(C)OC(C)C2)=CC=N1)C1=NN=N[N-]1	REAL300020165060	1	51	-1.0	-47.68	421.54	2.70	-44.98
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)NC(=O)NC1=O	REAL300020165061	0	37	-1.0	-44.67	336.46	-0.46	-45.13
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)NC(=O)NC1=O	REAL300020165061	1	37	-1.0	-44.70	336.52	-0.44	-45.14
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)NC(=O)[N-]C1=O	REAL300020165061	1	36	-2.0	-90.94	333.11	-2.28	-93.22
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1N1C=NN=C1)C1=NN=N[N-]1	REAL300020165062	0	42	-1.0	-54.54	368.23	7.74	-46.80
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1N1C=NN=C1)C1=N[N-]N=N1	REAL300020165062	1	42	-1.0	-54.52	368.17	7.72	-46.80
CSCC[C@H](NC(=O)CC1=C2CCCCC2=NN1)C1=N[N-]N=N1	REAL300020165063	0	43	-1.0	-49.77	364.81	3.46	-46.31
CSCC[C@H](NC(=O)CC1=C2CCCCC2=NN1)C1=NN=N[N-]1	REAL300020165063	1	43	-1.0	-49.80	364.87	3.48	-46.32
CSCC[C@H](NC(=O)CC1=NNC2=C1CCCC2)C1=N[N-]N=N1	REAL300020165063	1	43	-1.0	-50.46	364.83	3.45	-47.01
CSCC[C@H](NC(=O)CC1=NNC2=C1CCCC2)C1=NN=N[N-]1	REAL300020165063	1	43	-1.0	-50.44	364.89	3.47	-46.97
CSCC[C@H](NC(=O)C1=CN=C(Cl)C(C2CC2)=C1)C1=NN=N[N-]1	REAL300020165064	0	39	-1.0	-42.90	356.33	4.75	-38.15
CSCC[C@H](NC(=O)C1=CN=C(Cl)C(C2CC2)=C1)C1=N[N-]N=N1	REAL300020165064	1	39	-1.0	-42.85	356.27	4.73	-38.12
CSCC[C@H](NC(=O)C1=CC(C(C)=O)=C(C)N=C1C)C1=N[N-]N=N1	REAL300020165065	0	43	-1.0	-44.83	366.75	4.04	-40.79
CSCC[C@H](NC(=O)C1=CC(C(C)=O)=C(C)N=C1C)C1=NN=N[N-]1	REAL300020165065	1	43	-1.0	-44.84	366.80	4.05	-40.79
CSCC[C@H](NC(=O)C1=NN(CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020165066	0	43	-1.0	-51.51	384.51	5.75	-45.76
CSCC[C@H](NC(=O)C1=NN(CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020165066	1	43	-1.0	-51.51	384.45	5.73	-45.78
COCCN1C=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020165067	0	40	-1.0	-49.00	358.20	1.80	-47.20
COCCN1C=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020165067	1	40	-1.0	-48.99	358.14	1.78	-47.21
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NN1C	REAL300020165068	0	37	-1.0	-49.12	326.86	0.22	-48.90
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NN1C	REAL300020165068	1	37	-1.0	-49.10	326.80	0.20	-48.90
C=CCSC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165069	0	41	-1.0	-49.54	367.53	6.52	-43.02
C=CCSC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165069	1	41	-1.0	-49.53	367.58	6.53	-43.00
CSCC[C@H](NC(=O)C(O)C(O)C1=NC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020165070	0	44	-1.0	-48.33	387.20	-0.59	-48.92
CSCC[C@H](NC(=O)C(O)C(O)C1=NC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020165070	1	44	-1.0	-48.31	387.25	-0.57	-48.88
CNC(=O)CCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165071	0	42	-1.0	-49.45	364.75	1.66	-47.79
CNC(=O)CCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165071	1	42	-1.0	-49.47	364.81	1.67	-47.80
CSCC[C@H](NC(=O)C(O)C1CCCCC1)C1=N[N-]N=N1	REAL300020165072	0	43	-1.0	-45.75	350.92	3.09	-42.66
CSCC[C@H](NC(=O)C(O)C1CCCCC1)C1=NN=N[N-]1	REAL300020165072	1	43	-1.0	-45.76	350.99	3.10	-42.66
CSCC[C@H](NC(=O)CC1=CC=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL300020165073	0	39	-1.0	-45.49	361.66	5.95	-39.54
CSCC[C@H](NC(=O)CC1=CC=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL300020165073	1	39	-1.0	-45.48	361.71	5.96	-39.52
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C=C2)CC1)C1=N[N-]N=N1	REAL300020165074	0	43	-1.0	-48.06	378.72	6.74	-41.32
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C=C2)CC1)C1=NN=N[N-]1	REAL300020165074	1	43	-1.0	-48.11	378.78	6.76	-41.35
CSCC[C@H](NC(=O)CCCCN1CCOCC1)C1=N[N-]N=N1	REAL300020165075	0	48	-1.0	-46.71	393.48	1.82	-44.89
CSCC[C@H](NC(=O)CCCCN1CCOCC1)C1=NN=N[N-]1	REAL300020165075	1	48	-1.0	-46.71	393.54	1.84	-44.87
CSCC[C@H](NC(=O)CCCC[NH+]1CCOCC1)C1=N[N-]N=N1	REAL300020165075	1	49	0.0	-67.22	396.00	4.10	-63.12
CSCC[C@H](NC(=O)CCCC[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300020165075	1	49	0.0	-67.25	396.06	4.11	-63.14
CSCC[C@H](NC(=O)C1=C2C=NC=CN2N=C1)C1=NN=N[N-]1	REAL300020165076	0	35	-1.0	-49.23	320.04	2.02	-47.21
CSCC[C@H](NC(=O)C1=C2C=NC=CN2N=C1)C1=N[N-]N=N1	REAL300020165076	1	35	-1.0	-49.24	319.98	2.00	-47.24
CSCC[C@H](NC(=O)CC1=CC=CC=C1S(C)=O)C1=N[N-]N=N1	REAL300020165077	0	41	-1.0	-57.66	369.85	3.22	-54.44
CSCC[C@H](NC(=O)CC1=CC=CC=C1S(C)=O)C1=NN=N[N-]1	REAL300020165077	1	41	-1.0	-57.66	369.91	3.23	-54.43
CSCC[C@H](NC(=O)C1=CC=CC(SC)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020165078	0	39	-1.0	-62.67	364.07	6.97	-55.70
CSCC[C@H](NC(=O)C1=CC=CC(SC)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020165078	1	39	-1.0	-62.72	364.12	6.99	-55.73
CSCC[C@H](NC(=O)COC1=CC=C(CCC(C)=O)C=C1)C1=N[N-]N=N1	REAL300020165079	0	48	-1.0	-51.72	418.55	6.77	-44.95
CSCC[C@H](NC(=O)COC1=CC=C(CCC(C)=O)C=C1)C1=NN=N[N-]1	REAL300020165079	1	48	-1.0	-51.69	418.61	6.79	-44.90
COC1=CC=C(OC)C(NC(=O)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165080	0	45	-1.0	-46.19	392.17	1.04	-45.15
COC1=CC=C(OC)C(NC(=O)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165080	1	45	-1.0	-46.22	392.23	1.06	-45.16
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C1=N[N-]N=N1	REAL300020165081	0	36	-1.0	-41.78	341.78	5.14	-36.64
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C1=NN=N[N-]1	REAL300020165081	1	36	-1.0	-41.75	341.84	5.16	-36.59
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020165082	0	44	-1.0	-49.57	382.51	6.58	-42.99
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020165082	1	44	-1.0	-49.58	382.57	6.59	-42.99
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2Cl)CC1)C1=N[N-]N=N1	REAL300020165083	0	43	-1.0	-51.62	382.66	6.97	-44.65
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2Cl)CC1)C1=NN=N[N-]1	REAL300020165083	1	43	-1.0	-51.65	382.72	6.98	-44.67
CSCC[C@H](NC(=O)CC1=CC=C(Br)C=C1O)C1=N[N-]N=N1	REAL300020165084	0	37	-1.0	-50.56	353.29	2.59	-47.97
CSCC[C@H](NC(=O)CC1=CC=C(Br)C=C1O)C1=NN=N[N-]1	REAL300020165084	1	37	-1.0	-50.58	353.35	2.61	-47.97
CSCC[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=N[N-]N=N1	REAL300020165085	0	51	-1.0	-48.12	419.36	3.77	-44.35
CSCC[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=NN=N[N-]1	REAL300020165085	1	51	-1.0	-48.13	419.41	3.79	-44.34
CSCC[C@H](NC(=O)CC1=CC2=NNC=C2C=C1)C1=N[N-]N=N1	REAL300020165086	0	39	-1.0	-57.54	348.41	3.47	-54.07
CSCC[C@H](NC(=O)CC1=CC2=NNC=C2C=C1)C1=NN=N[N-]1	REAL300020165086	1	39	-1.0	-57.56	348.47	3.49	-54.07
CSCC[C@H](NC(=O)CCC1=CN=CN1C)C1=N[N-]N=N1	REAL300020165087	0	39	-1.0	-46.36	343.33	4.67	-41.69
CSCC[C@H](NC(=O)CCC1=CN=CN1C)C1=NN=N[N-]1	REAL300020165087	1	39	-1.0	-46.35	343.39	4.68	-41.67
CSCC[C@H](NC(=O)C1COCCN1C1CCCC1)C1=N[N-]N=N1	REAL300020165088	0	49	-1.0	-45.29	385.43	1.91	-43.38
CSCC[C@H](NC(=O)C1COCCN1C1CCCC1)C1=NN=N[N-]1	REAL300020165088	1	49	-1.0	-45.28	385.49	1.92	-43.36
CSCC[C@H](NC(=O)C1=CSC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020165089	0	32	-1.0	-44.39	325.84	2.19	-42.20
CSCC[C@H](NC(=O)C1=CSC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020165089	1	32	-1.0	-44.37	325.78	2.17	-42.20
CSCC[C@H](NC(=O)C1NC(=O)OC1C)C1=N[N-]N=N1	REAL300020165090	0	35	-1.0	-51.50	309.34	-0.63	-52.13
CSCC[C@H](NC(=O)C1NC(=O)OC1C)C1=NN=N[N-]1	REAL300020165090	1	35	-1.0	-51.51	309.40	-0.62	-52.13
CSCC[C@H](NC(=O)C1CCN(C2=C(C#N)N=C(C)O2)CC1)C1=N[N-]N=N1	REAL300020165091	0	48	-1.0	-53.64	412.26	0.64	-53.00
CSCC[C@H](NC(=O)C1CCN(C2=C(C#N)N=C(C)O2)CC1)C1=NN=N[N-]1	REAL300020165091	1	48	-1.0	-53.65	412.32	0.65	-53.00
CSCC[C@H](NC(=O)CCC1=CC=CC(N(C)C)=C1)C1=N[N-]N=N1	REAL300020165092	0	47	-1.0	-46.55	396.07	5.98	-40.57
CSCC[C@H](NC(=O)CCC1=CC=CC(N(C)C)=C1)C1=NN=N[N-]1	REAL300020165092	1	47	-1.0	-46.57	396.13	6.00	-40.57
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=NN1C)C1=NN=N[N-]1	REAL300020165093	0	35	-1.0	-40.84	328.47	3.51	-37.33
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=NN1C)C1=N[N-]N=N1	REAL300020165093	1	35	-1.0	-40.78	328.41	3.51	-37.27
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165094	0	49	-1.0	-45.06	399.74	2.33	-42.73
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165094	1	49	-1.0	-45.02	399.80	2.35	-42.67
CSCC[C@H](NC(=O)C1=C(O)C=CC=C1F)C1=N[N-]N=N1	REAL300020165095	0	34	-1.0	-52.30	318.27	1.18	-51.12
CSCC[C@H](NC(=O)C1=C([O-])C=CC=C1F)C1=N[N-]N=N1	REAL300020165095	1	33	-2.0	-114.35	314.70	1.96	-112.39
CSCC[C@H](NC(=O)C1=C(O)C=CC=C1F)C1=NN=N[N-]1	REAL300020165095	1	34	-1.0	-52.30	318.33	1.20	-51.10
CSCC[C@H](NC(=O)C1=C([O-])C=CC=C1F)C1=NN=N[N-]1	REAL300020165095	1	33	-2.0	-114.32	314.76	1.97	-112.35
COCCOC1=CC=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165096	0	48	-1.0	-50.87	417.03	4.77	-46.10
COCCOC1=CC=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165096	1	48	-1.0	-50.91	417.08	4.79	-46.12
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020165097	0	43	-1.0	-47.77	386.45	6.27	-41.50
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020165097	1	43	-1.0	-47.79	386.50	6.29	-41.50
CSCC[C@H](NC(=O)C(C)C1=CN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020165098	0	46	-1.0	-48.02	394.45	7.11	-40.91
CSCC[C@H](NC(=O)C(C)C1=CN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020165098	1	46	-1.0	-48.00	394.50	7.13	-40.87
COC1=CC(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020165099	0	40	-1.0	-44.54	359.00	4.62	-39.92
COC1=CC(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020165099	1	40	-1.0	-44.50	359.05	4.64	-39.86
CSCC[C@H](NC(=O)C(C)(C)N1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020165100	0	46	-1.0	-50.86	391.24	5.06	-45.80
CSCC[C@H](NC(=O)C(C)(C)N1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020165100	1	46	-1.0	-50.91	391.30	5.07	-45.84
CSCC[C@H](NC(=O)CC1=CN=CC(C)=C1)C1=N[N-]N=N1	REAL300020165101	0	38	-1.0	-47.46	338.45	3.62	-43.84
CSCC[C@H](NC(=O)CC1=CN=CC(C)=C1)C1=NN=N[N-]1	REAL300020165101	1	38	-1.0	-47.47	338.51	3.64	-43.83
CCCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020165102	0	45	-1.0	-48.74	385.19	4.83	-43.91
CCCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020165102	1	45	-1.0	-48.83	385.24	4.84	-43.99
CSCC[C@H](NC(=O)C1=C2C=CC=CC2=NN1C)C1=NN=N[N-]1	REAL300020165103	0	39	-1.0	-49.15	349.56	3.93	-45.22
CSCC[C@H](NC(=O)C1=C2C=CC=CC2=NN1C)C1=N[N-]N=N1	REAL300020165103	1	39	-1.0	-49.19	349.50	3.92	-45.27
COC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCCC1	REAL300020165104	0	43	-1.0	-43.59	346.03	3.59	-40.00
COC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCCC1	REAL300020165104	1	43	-1.0	-43.61	346.09	3.61	-40.00
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)OC=C1C)C1=N[N-]N=N1	REAL300020165105	0	43	-1.0	-50.35	375.64	6.08	-44.27
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)OC=C1C)C1=NN=N[N-]1	REAL300020165105	1	43	-1.0	-50.38	375.70	6.09	-44.29
CCOC1=C2C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CNC2=CC=C1	REAL300020165106	0	47	-1.0	-54.66	404.06	5.07	-49.59
CCOC1=C2C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CNC2=CC=C1	REAL300020165106	1	47	-1.0	-54.68	404.12	5.08	-49.60
CSCC[C@H](NC(=O)C1=C(C)N=C(CC2CC2)O1)C1=N[N-]N=N1	REAL300020165107	0	42	-1.0	-44.23	369.59	2.46	-41.77
CSCC[C@H](NC(=O)C1=C(C)N=C(CC2CC2)O1)C1=NN=N[N-]1	REAL300020165107	1	42	-1.0	-44.23	369.64	2.47	-41.76
CCOC1CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020165108	0	43	-1.0	-50.35	365.18	3.79	-46.56
CCOC1CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020165108	1	43	-1.0	-50.33	365.23	3.80	-46.53
CSCC[C@H](NC(=O)C1=CC=CC(O)=C1O)C1=N[N-]N=N1	REAL300020165109	0	35	-1.0	-50.30	317.11	0.30	-50.00
CSCC[C@H](NC(=O)C1=CC=CC(O)=C1O)C1=NN=N[N-]1	REAL300020165109	1	35	-1.0	-50.27	317.17	0.32	-49.95
CSCC[C@H](NC(=O)C1(O)CCOCC1)C1=N[N-]N=N1	REAL300020165110	0	38	-1.0	-44.76	321.75	-1.00	-45.76
CSCC[C@H](NC(=O)C1(O)CCOCC1)C1=NN=N[N-]1	REAL300020165110	1	38	-1.0	-44.76	321.80	-0.99	-45.75
CSCC[C@H](NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020165111	0	35	-1.0	-49.32	328.53	2.66	-46.66
CSCC[C@H](NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020165111	1	35	-1.0	-49.33	328.59	2.67	-46.66
CSCC[C@H](NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020165111	1	34	-2.0	-85.56	325.17	1.51	-84.05
CSCC[C@H](NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020165111	1	34	-2.0	-85.57	325.23	1.52	-84.05
CSCC[C@H](NC(=O)CCC1=NC=C(C(C)(C)C)O1)C1=N[N-]N=N1	REAL300020165112	0	47	-1.0	-46.06	402.05	3.02	-43.04
CSCC[C@H](NC(=O)CCC1=NC=C(C(C)(C)C)O1)C1=NN=N[N-]1	REAL300020165112	1	47	-1.0	-46.03	402.11	3.04	-42.99
CSCC[C@H](NC(=O)CC1=CC=C(F)C=C1Br)C1=N[N-]N=N1	REAL300020165113	0	36	-1.0	-43.48	346.21	5.31	-38.17
CSCC[C@H](NC(=O)CC1=CC=C(F)C=C1Br)C1=NN=N[N-]1	REAL300020165113	1	36	-1.0	-43.51	346.27	5.32	-38.19
CSCC[C@H](NC(=O)C1=NNC2=C1CCCCC2)C1=N[N-]N=N1	REAL300020165114	0	43	-1.0	-49.54	354.66	3.37	-46.17
CSCC[C@H](NC(=O)C1=NNC2=C1CCCCC2)C1=NN=N[N-]1	REAL300020165114	1	43	-1.0	-49.49	354.72	3.39	-46.10
CSCC[C@H](NC(=O)C1=C(C)N=C(CC2CC2)S1)C1=N[N-]N=N1	REAL300020165115	0	42	-1.0	-44.64	376.74	4.88	-39.76
CSCC[C@H](NC(=O)C1=C(C)N=C(CC2CC2)S1)C1=NN=N[N-]1	REAL300020165115	1	42	-1.0	-44.62	376.80	4.90	-39.72
CSCC[C@H](NC(=O)C1=COC2=CC(C)=C(C)C=C12)C1=N[N-]N=N1	REAL300020165116	0	42	-1.0	-51.28	365.22	5.63	-45.65
CSCC[C@H](NC(=O)C1=COC2=CC(C)=C(C)C=C12)C1=NN=N[N-]1	REAL300020165116	1	42	-1.0	-51.27	365.28	5.65	-45.62
CSCC[C@H](NC(=O)C1=CC(C)=NC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020165117	0	37	-1.0	-42.41	352.25	3.13	-39.28
CSCC[C@H](NC(=O)C1=CC(C)=NC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020165117	1	37	-1.0	-42.44	352.31	3.15	-39.29
COCC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165118	0	43	-1.0	-48.22	377.22	4.48	-43.74
COCC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165118	1	43	-1.0	-48.19	377.28	4.50	-43.69
C=CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020165119	0	43	-1.0	-47.16	373.48	6.47	-40.69
C=CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020165119	1	43	-1.0	-47.23	373.53	6.48	-40.75
COCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=C1	REAL300020165120	0	44	-1.0	-48.23	394.93	4.12	-44.11
COCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=C1	REAL300020165120	1	44	-1.0	-48.22	394.99	4.14	-44.08
CSCC[C@H](NC(=O)CCCC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020165121	0	45	-1.0	-49.22	403.79	7.34	-41.88
CSCC[C@H](NC(=O)CCCC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020165121	1	45	-1.0	-49.25	403.85	7.36	-41.89
CSCC[C@H](NC(=O)C1=CN2C=C(C(F)(F)F)N=C2C=C1)C1=NN=N[N-]1	REAL300020165122	0	39	-1.0	-44.55	365.24	5.68	-38.87
CSCC[C@H](NC(=O)C1=CN2C=C(C(F)(F)F)N=C2C=C1)C1=N[N-]N=N1	REAL300020165122	1	39	-1.0	-44.54	365.18	5.67	-38.87
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CC=C2C)S1)C1=N[N-]N=N1	REAL300020165123	0	45	-1.0	-45.58	397.18	6.77	-38.81
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CC=C2C)S1)C1=NN=N[N-]1	REAL300020165123	1	45	-1.0	-45.62	397.23	6.79	-38.83
COC1=NC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020165124	0	39	-1.0	-48.08	353.98	-0.01	-48.09
COC1=NC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020165124	1	39	-1.0	-48.06	354.03	-0.00	-48.06
CSCC[C@H](NC(=O)CCC1=CC=NN1C)C1=N[N-]N=N1	REAL300020165125	0	39	-1.0	-45.66	343.82	3.11	-42.55
CSCC[C@H](NC(=O)CCC1=CC=NN1C)C1=NN=N[N-]1	REAL300020165125	1	39	-1.0	-45.64	343.88	3.12	-42.52
CCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=C1	REAL300020165126	0	46	-1.0	-46.34	404.30	6.43	-39.91
CCCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=C1	REAL300020165126	1	46	-1.0	-46.34	404.36	6.45	-39.89
CSCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)C(C)C)=C1)C1=N[N-]N=N1	REAL300020165127	0	45	-1.0	-52.72	397.03	3.09	-49.63
CSCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)C(C)C)=C1)C1=NN=N[N-]1	REAL300020165127	1	45	-1.0	-52.72	397.09	3.11	-49.61
CSCC[C@H](NC(=O)CCC1=CC=CC2=C1OCO2)C1=N[N-]N=N1	REAL300020165128	0	42	-1.0	-46.93	369.62	4.22	-42.71
CSCC[C@H](NC(=O)CCC1=CC=CC2=C1OCO2)C1=NN=N[N-]1	REAL300020165128	1	42	-1.0	-46.95	369.68	4.23	-42.72
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)N(C)C)N=C1)C1=NN=N[N-]1	REAL300020165129	0	43	-1.0	-48.92	388.31	0.23	-48.69
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)N(C)C)N=C1)C1=N[N-]N=N1	REAL300020165129	1	43	-1.0	-48.92	388.25	0.21	-48.71
CNS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020165130	0	40	-1.0	-47.51	370.19	-1.65	-49.16
CNS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020165130	1	40	-1.0	-47.52	370.13	-1.67	-49.19
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)OC(C)=C1)C1=N[N-]N=N1	REAL300020165131	0	36	-1.0	-47.30	337.41	4.12	-43.18
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)OC(C)=C1)C1=NN=N[N-]1	REAL300020165131	1	36	-1.0	-47.25	337.47	4.14	-43.11
CCSCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NO1	REAL300020165132	0	39	-1.0	-46.70	364.36	4.28	-42.42
CCSCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NO1	REAL300020165132	1	39	-1.0	-46.71	364.42	4.30	-42.41
CSCC[C@H](NC(=O)C1=CN=C(C(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300020165133	0	34	-1.0	-41.30	328.29	2.51	-38.79
CSCC[C@H](NC(=O)C1=CN=C(C(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300020165133	1	34	-1.0	-41.29	328.23	2.50	-38.79
CSCC[C@H](NC(=O)CCC1=NC(N(C)C)=NO1)C1=N[N-]N=N1	REAL300020165134	0	42	-1.0	-46.78	371.68	3.39	-43.39
CSCC[C@H](NC(=O)CCC1=NC(N(C)C)=NO1)C1=NN=N[N-]1	REAL300020165134	1	42	-1.0	-46.79	371.74	3.41	-43.38
CSCC[C@H](NC(=O)C1(CC2=CC=CC(F)=C2)CCC1)C1=N[N-]N=N1	REAL300020165135	0	46	-1.0	-49.73	389.17	6.98	-42.75
CSCC[C@H](NC(=O)C1(CC2=CC=CC(F)=C2)CCC1)C1=NN=N[N-]1	REAL300020165135	1	46	-1.0	-49.73	389.23	7.00	-42.73
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL300020165136	0	49	-1.0	-47.66	413.36	7.29	-40.37
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL300020165136	1	49	-1.0	-47.60	413.42	7.31	-40.29
CSCC[C@H](NC(=O)C1=NOC(COC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020165137	0	45	-1.0	-46.11	388.00	3.35	-42.76
CSCC[C@H](NC(=O)C1=NOC(COC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020165137	1	45	-1.0	-46.11	388.05	3.36	-42.75
CSCC[C@H](NC(=O)C1(CCOCC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020165138	0	50	-1.0	-49.48	426.85	6.94	-42.54
CSCC[C@H](NC(=O)C1(CCOCC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020165138	1	50	-1.0	-49.50	426.91	6.96	-42.54
CSCC[C@H](NC(=O)[C@H](C)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165139	0	43	-1.0	-50.35	376.42	5.84	-44.51
CSCC[C@H](NC(=O)[C@H](C)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165139	1	43	-1.0	-50.35	376.48	5.86	-44.49
CSCC[C@H](NC(=O)C1CCCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020165140	0	56	-1.0	-59.07	434.16	6.93	-52.14
CSCC[C@H](NC(=O)C1CCCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020165140	1	56	-1.0	-59.02	434.21	6.94	-52.08
CSCC[C@H](NC(=O)C1=CC=C(C2=CN=CN=C2)C=C1F)C1=NN=N[N-]1	REAL300020165141	0	41	-1.0	-52.08	366.19	5.61	-46.47
CSCC[C@H](NC(=O)C1=CC=C(C2=CN=CN=C2)C=C1F)C1=N[N-]N=N1	REAL300020165141	1	41	-1.0	-52.11	366.13	5.60	-46.51
CSCC[C@H](NC(=O)C1=CC(=O)NC(C2CC2)=C1)C1=N[N-]N=N1	REAL300020165142	0	40	-1.0	-50.76	352.17	3.23	-47.53
CSCC[C@H](NC(=O)C1=CC(=O)NC(C2CC2)=C1)C1=NN=N[N-]1	REAL300020165142	1	40	-1.0	-50.80	352.23	3.24	-47.56
CSCC[C@H](NC(=O)C1=CC(C)=NC(Cl)=C1)C1=N[N-]N=N1	REAL300020165143	0	35	-1.0	-42.48	331.20	3.35	-39.13
CSCC[C@H](NC(=O)C1=CC(C)=NC(Cl)=C1)C1=NN=N[N-]1	REAL300020165143	1	35	-1.0	-42.51	331.26	3.36	-39.15
CSCC[C@H](NC(=O)C1=CC(O)=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020165144	0	35	-1.0	-46.67	329.38	1.62	-45.05
CSCC[C@H](NC(=O)C1=CC(O)=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020165144	1	35	-1.0	-46.67	329.44	1.63	-45.04
CSCC[C@H](NC(=O)C1=CC([O-])=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020165144	1	34	-2.0	-86.59	325.83	2.38	-84.21
CSCC[C@H](NC(=O)C1=CC([O-])=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020165144	1	34	-2.0	-86.57	325.89	2.40	-84.17
CSCC[C@H](NC(=O)C1CCCN1C(=O)C(F)(F)F)C1=N[N-]N=N1	REAL300020165145	0	40	-1.0	-58.00	360.78	2.88	-55.12
CSCC[C@H](NC(=O)C1CCCN1C(=O)C(F)(F)F)C1=NN=N[N-]1	REAL300020165145	1	40	-1.0	-57.98	360.83	2.89	-55.09
CSCC[C@H](NC(=O)C1CC12CCS(=O)(=O)CC2)C1=N[N-]N=N1	REAL300020165146	0	43	-1.0	-58.08	371.98	1.62	-56.46
CSCC[C@H](NC(=O)C1CC12CCS(=O)(=O)CC2)C1=NN=N[N-]1	REAL300020165146	1	43	-1.0	-58.10	372.04	1.63	-56.47
CSCC[C@H](NC(=O)C1=CC=NC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020165147	0	37	-1.0	-50.99	348.04	-2.85	-53.84
CSCC[C@H](NC(=O)C1=CC=NC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020165147	1	37	-1.0	-50.99	347.99	-2.86	-53.85
CSCC[C@H](NC(=O)CC1=CC=NC=C1C)C1=N[N-]N=N1	REAL300020165148	0	38	-1.0	-47.55	334.21	3.46	-44.09
CSCC[C@H](NC(=O)CC1=CC=NC=C1C)C1=NN=N[N-]1	REAL300020165148	1	38	-1.0	-47.54	334.27	3.48	-44.06
CSCC[C@H](NC(=O)C1=C(C(=O)C2=CC=CC=C2)N=CN1)C1=N[N-]N=N1	REAL300020165149	0	42	-1.0	-59.30	371.84	7.13	-52.17
CSCC[C@H](NC(=O)C1=C(C(=O)C2=CC=CC=C2)N=CN1)C1=NN=N[N-]1	REAL300020165149	1	42	-1.0	-59.25	371.89	7.15	-52.10
CSCC[C@H](NC(=O)C(C)C1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020165150	0	53	-1.0	-53.16	435.37	4.70	-48.46
CSCC[C@H](NC(=O)C(C)C1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020165150	1	53	-1.0	-53.16	435.42	4.72	-48.44
CSCC[C@H](NC(=O)C1CC(C)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020165151	0	56	-1.0	-45.14	442.74	5.70	-39.44
CSCC[C@H](NC(=O)C1CC(C)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020165151	1	56	-1.0	-45.16	442.79	5.72	-39.44
CSCC[C@H](NC(=O)CC1=CC=CC=C1CO)C1=N[N-]N=N1	REAL300020165152	0	40	-1.0	-48.77	349.18	2.12	-46.65
CSCC[C@H](NC(=O)CC1=CC=CC=C1CO)C1=NN=N[N-]1	REAL300020165152	1	40	-1.0	-48.78	349.23	2.13	-46.65
CSCC[C@H](NC(=O)CCC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020165153	0	49	-1.0	-46.79	417.77	8.98	-37.81
CSCC[C@H](NC(=O)CCC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020165153	1	49	-1.0	-46.70	417.83	9.00	-37.70
CSCC[C@H](NC(=O)C1=CNC=C1C1=CC=C(C)S1)C1=N[N-]N=N1	REAL300020165154	0	41	-1.0	-53.93	373.70	5.53	-48.40
CSCC[C@H](NC(=O)C1=CNC=C1C1=CC=C(C)S1)C1=NN=N[N-]1	REAL300020165154	1	41	-1.0	-53.94	373.76	5.55	-48.39
CCN1C=C(C2=NNC=C2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020165155	0	43	-1.0	-54.36	378.90	2.75	-51.61
CCN1C=C(C2=NNC=C2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020165155	1	43	-1.0	-54.38	378.96	2.76	-51.62
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1C#N)C1=N[N-]N=N1	REAL300020165156	0	34	-1.0	-56.49	320.76	4.37	-52.12
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1C#N)C1=NN=N[N-]1	REAL300020165156	1	34	-1.0	-56.47	320.82	4.38	-52.09
CSCC[C@H](NC(=O)CCCCCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020165157	0	48	-1.0	-47.73	414.46	7.98	-39.75
CSCC[C@H](NC(=O)CCCCCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020165157	1	48	-1.0	-47.78	414.52	7.99	-39.79
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020165158	0	36	-1.0	-42.54	352.97	5.59	-36.95
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020165158	1	36	-1.0	-42.55	353.03	5.60	-36.95
CSCC[C@H](NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C1=N[N-]N=N1	REAL300020165159	0	56	-1.0	-47.18	422.86	7.46	-39.72
CSCC[C@H](NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C1=NN=N[N-]1	REAL300020165159	1	56	-1.0	-47.20	422.91	7.48	-39.72
CSCC[C@H](NC(=O)CCC1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL300020165160	0	42	-1.0	-44.54	382.20	6.71	-37.83
CSCC[C@H](NC(=O)CCC1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL300020165160	1	42	-1.0	-44.56	382.25	6.72	-37.84
CSCC[C@H](NC(=O)C1=CN=C(CC2=CC=CC=C2F)S1)C1=N[N-]N=N1	REAL300020165161	0	42	-1.0	-48.44	393.61	5.75	-42.69
CSCC[C@H](NC(=O)C1=CN=C(CC2=CC=CC=C2F)S1)C1=NN=N[N-]1	REAL300020165161	1	42	-1.0	-48.49	393.66	5.76	-42.73
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1Cl	REAL300020165162	0	41	-1.0	-48.70	371.38	4.57	-44.13
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1Cl	REAL300020165162	1	41	-1.0	-48.73	371.44	4.58	-44.15
CSCC[C@H](NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020165163	0	53	-1.0	-57.95	431.52	4.87	-53.08
CSCC[C@H](NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020165163	1	53	-1.0	-57.94	431.58	4.88	-53.06
CSCC[C@H](NC(=O)C(O)CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020165164	0	43	-1.0	-47.24	392.03	4.46	-42.78
CSCC[C@H](NC(=O)C(O)CC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020165164	1	43	-1.0	-47.30	392.09	4.48	-42.82
CSCC[C@H](NC(=O)C1=CN2C(=NN=C2C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020165165	0	47	-1.0	-45.99	394.85	6.48	-39.51
CSCC[C@H](NC(=O)C1=CN2C(=NN=C2C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020165165	1	47	-1.0	-46.01	394.79	6.46	-39.55
CCCCOC1=CC(OC)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165166	0	50	-1.0	-51.50	419.08	6.44	-45.06
CCCCOC1=CC(OC)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165166	1	50	-1.0	-51.47	419.14	6.46	-45.01
COC1=CC=C(F)C=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165167	0	40	-1.0	-47.77	356.87	4.18	-43.59
COC1=CC=C(F)C=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165167	1	40	-1.0	-47.76	356.93	4.19	-43.57
CSCC[C@H](NC(=O)CCC(=O)C1=CC=CC=N1)C1=N[N-]N=N1	REAL300020165168	0	40	-1.0	-48.51	360.27	3.75	-44.76
CSCC[C@H](NC(=O)CCC(=O)C1=CC=CC=N1)C1=NN=N[N-]1	REAL300020165168	1	40	-1.0	-48.49	360.32	3.77	-44.72
CSCC[C@H](NC(=O)CC1(CSC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020165169	0	47	-1.0	-49.09	409.74	7.93	-41.16
CSCC[C@H](NC(=O)CC1(CSC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020165169	1	47	-1.0	-49.13	409.79	7.95	-41.18
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C=C1C)C1=NN=N[N-]1	REAL300020165170	0	43	-1.0	-50.30	377.39	5.93	-44.37
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C=C1C)C1=N[N-]N=N1	REAL300020165170	1	43	-1.0	-50.34	377.34	5.92	-44.42
CSCC[C@H](NC(=O)CCCCC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020165171	0	47	-1.0	-47.67	413.17	7.02	-40.65
CSCC[C@H](NC(=O)CCCCC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020165171	1	47	-1.0	-47.67	413.23	7.04	-40.63
CSCC[C@H](NC(=O)C12CC(C(F)(F)F)(C1)C2)C1=N[N-]N=N1	REAL300020165172	0	37	-1.0	-43.70	340.28	4.64	-39.06
CSCC[C@H](NC(=O)C12CC(C(F)(F)F)(C1)C2)C1=NN=N[N-]1	REAL300020165172	1	37	-1.0	-43.65	340.34	4.66	-38.99
CSCC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=N[N-]N=N1	REAL300020165173	0	33	-2.0	-90.65	324.96	-1.69	-92.34
CSCC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=NN=N[N-]1	REAL300020165173	1	33	-2.0	-90.67	325.02	-1.68	-92.35
CSCC[C@H](NC(=O)C1=CNC2=C(F)C=C(F)C=C2C1=O)C1=N[N-]N=N1	REAL300020165174	0	39	-1.0	-51.59	358.45	4.36	-47.23
CSCC[C@H](NC(=O)C1=CNC2=C(F)C=C(F)C=C2C1=O)C1=NN=N[N-]1	REAL300020165174	1	39	-1.0	-51.61	358.51	4.37	-47.24
CSCC[C@H](NC(=O)C1=CC=NC2=CC=NC=C21)C1=NN=N[N-]1	REAL300020165175	0	37	-1.0	-47.70	328.83	2.67	-45.03
CSCC[C@H](NC(=O)C1=CC=NC2=CC=NC=C21)C1=N[N-]N=N1	REAL300020165175	1	37	-1.0	-47.69	328.77	2.66	-45.03
CSCC[C@H](NC(=O)C1=C(F)C=CC(F)=C1F)C1=N[N-]N=N1	REAL300020165176	0	33	-1.0	-48.87	320.10	4.09	-44.78
CSCC[C@H](NC(=O)C1=C(F)C=CC(F)=C1F)C1=NN=N[N-]1	REAL300020165176	1	33	-1.0	-48.89	320.16	4.10	-44.79
CSCC[C@H](NC(=O)C(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165177	0	39	-1.0	-48.14	338.07	5.30	-42.84
CSCC[C@H](NC(=O)C(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165177	1	39	-1.0	-48.16	338.13	5.32	-42.84
CSCC[C@H](NC(=O)C1=C(C2=CC=C(F)C=C2)OC=N1)C1=NN=N[N-]1	REAL300020165178	0	39	-1.0	-46.95	359.46	2.56	-44.39
CSCC[C@H](NC(=O)C1=C(C2=CC=C(F)C=C2)OC=N1)C1=N[N-]N=N1	REAL300020165178	1	39	-1.0	-46.90	359.41	2.55	-44.35
CCN1C=C(C2=NN(C)C=C2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020165179	0	46	-1.0	-55.41	401.84	4.07	-51.34
CCN1C=C(C2=NN(C)C=C2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020165179	1	46	-1.0	-55.36	401.78	4.06	-51.30
CSCC[C@H](NC(=O)CCC1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020165180	0	44	-1.0	-48.35	381.46	5.92	-42.43
CSCC[C@H](NC(=O)CCC1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020165180	1	44	-1.0	-48.31	381.52	5.93	-42.38
COC(=O)CC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165181	0	42	-1.0	-53.71	374.48	5.51	-48.20
COC(=O)CC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165181	1	42	-1.0	-53.67	374.54	5.53	-48.14
CSCC[C@H](NC(=O)C1=CC=C(C2=NNC=N2)C=C1)C1=N[N-]N=N1	REAL300020165182	0	39	-1.0	-51.17	352.57	4.96	-46.21
CSCC[C@H](NC(=O)C1=CC=C(C2=NNC=N2)C=C1)C1=NN=N[N-]1	REAL300020165182	1	39	-1.0	-51.14	352.63	4.98	-46.16
COC1=CC2=CC=C([C@H](C)C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2C=C1	REAL300020165183	0	49	-1.0	-48.59	413.33	6.86	-41.73
COC1=CC2=CC=C([C@H](C)C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2C=C1	REAL300020165183	1	49	-1.0	-48.56	413.39	6.87	-41.69
CSCC[C@H](NC(=O)C(C)NC(=O)CC(C)(C)C)C1=N[N-]N=N1	REAL300020165184	0	48	-1.0	-41.92	393.87	3.01	-38.91
CSCC[C@H](NC(=O)C(C)NC(=O)CC(C)(C)C)C1=NN=N[N-]1	REAL300020165184	1	48	-1.0	-41.94	393.93	3.02	-38.92
CCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020165185	0	47	-1.0	-47.10	403.38	6.25	-40.85
CCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020165185	1	47	-1.0	-47.13	403.44	6.26	-40.87
CSCC[C@H](NC(=O)C=CC1=CC=C(OC(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300020165186	0	50	-1.0	-47.11	421.30	6.87	-40.24
CSCC[C@H](NC(=O)C=CC1=CC=C(OC(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300020165186	1	50	-1.0	-47.09	421.36	6.89	-40.20
CSCC[C@H](NC(=O)C1=C(I)C=NN1)C1=N[N-]N=N1	REAL300020165187	0	30	-1.0	-42.19	304.40	1.66	-40.53
CSCC[C@H](NC(=O)C1=C(I)C=NN1)C1=NN=N[N-]1	REAL300020165187	1	30	-1.0	-42.21	304.46	1.67	-40.54
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL300020165188	0	40	-1.0	-45.92	377.03	4.23	-41.69
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL300020165188	1	40	-1.0	-45.91	377.08	4.24	-41.67
CSCC[C@H](NC(=O)C1=NC(C)=NC=C1Br)C1=N[N-]N=N1	REAL300020165189	0	34	-1.0	-42.95	328.13	2.74	-40.21
CSCC[C@H](NC(=O)C1=NC(C)=NC=C1Br)C1=NN=N[N-]1	REAL300020165189	1	34	-1.0	-42.95	328.19	2.76	-40.19
CSCC[C@H](NC(=O)C1=COC(C2CCCCC2)=N1)C1=N[N-]N=N1	REAL300020165190	0	45	-1.0	-44.53	382.47	2.68	-41.85
CSCC[C@H](NC(=O)C1=COC(C2CCCCC2)=N1)C1=NN=N[N-]1	REAL300020165190	1	45	-1.0	-44.51	382.53	2.70	-41.81
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1N)C1=N[N-]N=N1	REAL300020165191	0	37	-1.0	-44.51	335.48	2.98	-41.53
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1N)C1=NN=N[N-]1	REAL300020165191	1	37	-1.0	-44.50	335.54	2.99	-41.51
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020165192	0	40	-1.0	-44.90	367.45	2.73	-42.17
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020165192	1	40	-1.0	-44.91	367.51	2.74	-42.17
CSCC[C@H](NC(=O)CNC(=O)C1=CC=NC=C1)C1=NN=N[N-]1	REAL300020165193	0	39	-1.0	-44.66	351.75	0.83	-43.83
CSCC[C@H](NC(=O)CNC(=O)C1=CC=NC=C1)C1=N[N-]N=N1	REAL300020165193	1	39	-1.0	-44.62	351.69	0.82	-43.80
CSCC[C@H](NC(=O)C1=C(N2C=CC=N2)N(C)N=C1C)C1=NN=N[N-]1	REAL300020165194	0	43	-1.0	-54.37	380.74	4.21	-50.16
CSCC[C@H](NC(=O)C1=C(N2C=CC=N2)N(C)N=C1C)C1=N[N-]N=N1	REAL300020165194	1	43	-1.0	-54.35	380.68	4.20	-50.15
CCOC1=CN=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020165195	0	38	-1.0	-43.43	343.65	-0.07	-43.50
CCOC1=CN=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020165195	1	38	-1.0	-43.42	343.59	-0.08	-43.50
CSCC[C@H](NC(=O)C1=CC=C(C#N)C(Cl)=C1)C1=N[N-]N=N1	REAL300020165196	0	34	-1.0	-45.24	333.72	4.88	-40.36
CSCC[C@H](NC(=O)C1=CC=C(C#N)C(Cl)=C1)C1=NN=N[N-]1	REAL300020165196	1	34	-1.0	-45.31	333.78	4.90	-40.41
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300020165197	0	37	-1.0	-48.77	361.80	3.86	-44.91
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300020165197	1	37	-1.0	-48.78	361.86	3.87	-44.91
CSCC[C@H](NC(=O)C1=C(N2C=C(C)C=N2)N(C)N=C1C)C1=NN=N[N-]1	REAL300020165198	0	46	-1.0	-54.63	402.62	4.89	-49.74
CSCC[C@H](NC(=O)C1=C(N2C=C(C)C=N2)N(C)N=C1C)C1=N[N-]N=N1	REAL300020165198	1	46	-1.0	-54.67	402.56	4.88	-49.79
CSCC[C@H](NC(=O)C(C)(C)OC(C)=O)C1=N[N-]N=N1	REAL300020165199	0	38	-1.0	-46.41	328.68	3.88	-42.53
CSCC[C@H](NC(=O)C(C)(C)OC(C)=O)C1=NN=N[N-]1	REAL300020165199	1	38	-1.0	-46.35	328.74	3.90	-42.45
CSCC[C@H](NC(=O)C1=NC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300020165200	0	32	-1.0	-49.42	315.71	2.95	-46.47
CSCC[C@H](NC(=O)C1=NC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300020165200	1	32	-1.0	-49.44	315.66	2.93	-46.51
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL300020165201	0	41	-1.0	-46.68	367.53	-0.27	-46.95
CSCC[C@H](NC(=O)CNC(=O)C1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL300020165201	1	41	-1.0	-46.69	367.59	-0.26	-46.95
CSCC[C@H](NC(=O)CNC(=O)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL300020165202	0	40	-1.0	-42.96	369.33	2.72	-40.24
CSCC[C@H](NC(=O)CNC(=O)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL300020165202	1	40	-1.0	-43.03	369.38	2.73	-40.30
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020165203	0	40	-1.0	-44.46	369.19	2.70	-41.76
CSCC[C@H](NC(=O)CNC(=O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020165203	1	40	-1.0	-44.46	369.25	2.72	-41.74
CSCC[C@H](NC(=O)CNC(=O)C1=CC2=C(CCC2)S1)C1=N[N-]N=N1	REAL300020165204	0	44	-1.0	-45.74	394.53	3.60	-42.14
CSCC[C@H](NC(=O)CNC(=O)C1=CC2=C(CCC2)S1)C1=NN=N[N-]1	REAL300020165204	1	44	-1.0	-45.75	394.59	3.62	-42.13
CSCC[C@H](NC(=O)CNC(=O)C1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020165205	0	40	-1.0	-48.99	382.28	2.91	-46.08
CSCC[C@H](NC(=O)CNC(=O)C1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020165205	1	40	-1.0	-48.99	382.34	2.93	-46.06
CSCC[C@H](NC(=O)C1=CSC(Cl)=N1)C1=NN=N[N-]1	REAL300020165206	0	29	-1.0	-44.41	301.91	1.60	-42.81
CSCC[C@H](NC(=O)C1=CSC(Cl)=N1)C1=N[N-]N=N1	REAL300020165206	1	29	-1.0	-44.43	301.86	1.59	-42.84
CSCC[C@H](NC(=O)C1=COC(CC2CC2)=N1)C1=N[N-]N=N1	REAL300020165207	0	39	-1.0	-44.85	351.63	1.73	-43.12
CSCC[C@H](NC(=O)C1=COC(CC2CC2)=N1)C1=NN=N[N-]1	REAL300020165207	1	39	-1.0	-44.88	351.69	1.74	-43.14
C=CCCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020165208	0	46	-1.0	-44.37	394.16	7.27	-37.10
C=CCCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020165208	1	46	-1.0	-44.35	394.22	7.28	-37.07
CSCC[C@H](NC(=O)C1COCCN1CC(F)F)C1=N[N-]N=N1	REAL300020165209	0	42	-1.0	-44.27	358.38	0.58	-43.69
CSCC[C@H](NC(=O)C1COCCN1CC(F)F)C1=NN=N[N-]1	REAL300020165209	1	42	-1.0	-44.26	358.44	0.60	-43.66
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCN2C)C1=N[N-]N=N1	REAL300020165210	0	42	-1.0	-46.92	358.25	3.94	-42.98
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCN2C)C1=NN=N[N-]1	REAL300020165210	1	42	-1.0	-46.91	358.30	3.96	-42.95
CSCC[C@H](NC(=O)C(C#N)=CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL300020165211	0	39	-1.0	-45.75	358.46	2.54	-43.21
CSCC[C@H](NC(=O)C(C#N)=CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL300020165211	1	39	-1.0	-45.73	358.52	2.56	-43.17
CCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CN(C)C1=O	REAL300020165212	0	42	-1.0	-45.79	364.58	4.31	-41.48
CCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CN(C)C1=O	REAL300020165212	1	42	-1.0	-45.81	364.63	4.33	-41.48
CSCC[C@H](NC(=O)C1=CN2C(=S)NN=C2C=C1)C1=N[N-]N=N1	REAL300020165213	0	36	-1.0	-51.75	341.41	5.06	-46.69
CSCC[C@H](NC(=O)C1=CN2C(=S)NN=C2C=C1)C1=NN=N[N-]1	REAL300020165213	1	36	-1.0	-51.79	341.47	5.08	-46.71
CSCC[C@H](NC(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=N[N-]N=N1	REAL300020165213	1	35	-2.0	-97.83	337.99	4.89	-92.94
CSCC[C@H](NC(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=NN=N[N-]1	REAL300020165213	1	35	-2.0	-97.85	338.04	4.91	-92.94
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C=C1)C1=NN=N[N-]1	REAL300020165214	0	41	-1.0	-55.22	379.77	5.65	-49.57
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(C#N)=C2)C=C1)C1=N[N-]N=N1	REAL300020165214	1	41	-1.0	-55.19	379.72	5.63	-49.56
CSCC[C@H](NC(=O)C1=C(Br)SC(C)=C1C)C1=N[N-]N=N1	REAL300020165215	0	36	-1.0	-47.58	353.28	4.94	-42.64
CSCC[C@H](NC(=O)C1=C(Br)SC(C)=C1C)C1=NN=N[N-]1	REAL300020165215	1	36	-1.0	-47.53	353.34	4.95	-42.58
CSCC[C@H](NC(=O)[C@@H](C)NC(=O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165216	0	49	-1.0	-46.26	422.08	4.91	-41.35
CSCC[C@H](NC(=O)[C@@H](C)NC(=O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165216	1	49	-1.0	-46.23	422.14	4.92	-41.31
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC=N1)C1=NN=N[N-]1	REAL300020165217	0	41	-1.0	-52.51	348.70	4.67	-47.84
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC=N1)C1=N[N-]N=N1	REAL300020165217	1	41	-1.0	-52.48	348.64	4.65	-47.83
CSCC[C@H](NC(=O)CC1CC1(Cl)Cl)C1=N[N-]N=N1	REAL300020165218	0	33	-1.0	-44.54	324.52	4.33	-40.21
CSCC[C@H](NC(=O)CC1CC1(Cl)Cl)C1=NN=N[N-]1	REAL300020165218	1	33	-1.0	-44.55	324.58	4.35	-40.20
CSCC[C@H](NC(=O)C1=CC(C)=CC(C)=N1)C1=N[N-]N=N1	REAL300020165219	0	38	-1.0	-47.92	337.85	3.62	-44.30
CSCC[C@H](NC(=O)C1=CC(C)=CC(C)=N1)C1=NN=N[N-]1	REAL300020165219	1	38	-1.0	-47.87	337.91	3.64	-44.23
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1C)C1=NN=N[N-]1	REAL300020165220	0	43	-1.0	-48.94	383.79	6.00	-42.94
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1C)C1=N[N-]N=N1	REAL300020165220	1	43	-1.0	-48.92	383.74	5.98	-42.94
CSCC[C@H](NC(=O)C(F)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020165221	0	39	-1.0	-43.74	364.69	5.79	-37.95
CSCC[C@H](NC(=O)C(F)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020165221	1	39	-1.0	-43.74	364.74	5.81	-37.93
CSCC[C@H](NC(=O)C1=CC2=C(C=N1)CCCC2)C1=N[N-]N=N1	REAL300020165222	0	42	-1.0	-47.47	357.49	4.85	-42.62
CSCC[C@H](NC(=O)C1=CC2=C(C=N1)CCCC2)C1=NN=N[N-]1	REAL300020165222	1	42	-1.0	-47.48	357.55	4.86	-42.62
CCC(C)(C)C1CCC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020165223	0	57	-1.0	-45.42	425.01	7.51	-37.91
CCC(C)(C)C1CCC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020165223	1	57	-1.0	-45.45	425.07	7.53	-37.92
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL300020165224	0	42	-1.0	-51.84	370.37	3.54	-48.30
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL300020165224	1	42	-1.0	-51.83	370.31	3.52	-48.31
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165225	0	50	-1.0	-53.47	407.67	7.22	-46.25
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165225	1	50	-1.0	-53.47	407.73	7.23	-46.24
CSCC[C@H](NC(=O)[C@H](CC1=CNC=N1)NC(C)=O)C1=N[N-]N=N1	REAL300020165226	0	43	-1.0	-59.21	374.24	2.69	-56.52
CSCC[C@H](NC(=O)[C@H](CC1=CNC=N1)NC(C)=O)C1=NN=N[N-]1	REAL300020165226	1	43	-1.0	-59.20	374.30	2.71	-56.49
COC1=COC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC1=O	REAL300020165227	0	36	-1.0	-48.75	330.19	2.11	-46.64
COC1=COC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC1=O	REAL300020165227	1	36	-1.0	-48.78	330.24	2.12	-46.66
CSCC[C@H](NC(=O)C1=CC2=CC=NC=C2N=C1)C1=NN=N[N-]1	REAL300020165228	0	37	-1.0	-44.64	333.80	2.71	-41.93
CSCC[C@H](NC(=O)C1=CC2=CC=NC=C2N=C1)C1=N[N-]N=N1	REAL300020165228	1	37	-1.0	-44.62	333.74	2.70	-41.92
CSCC[C@H](NC(=O)C1=CN2C=C(C)C=C2C=C1)C1=N[N-]N=N1	REAL300020165229	0	40	-1.0	-45.53	351.69	6.42	-39.11
CSCC[C@H](NC(=O)C1=CN2C=C(C)C=C2C=C1)C1=NN=N[N-]1	REAL300020165229	1	40	-1.0	-45.53	351.75	6.44	-39.09
CSCC[C@H](NC(=O)C1(C)CC(C2=CC=CC=C2Cl)=NO1)C1=N[N-]N=N1	REAL300020165230	0	44	-1.0	-45.42	397.28	5.67	-39.75
CSCC[C@H](NC(=O)C1(C)CC(C2=CC=CC=C2Cl)=NO1)C1=NN=N[N-]1	REAL300020165230	1	44	-1.0	-45.48	397.34	5.68	-39.80
CSCC[C@H](NC(=O)C1=CN=C(C2OCCO2)S1)C1=N[N-]N=N1	REAL300020165231	0	38	-1.0	-47.28	353.25	0.87	-46.41
CSCC[C@H](NC(=O)C1=CN=C(C2OCCO2)S1)C1=NN=N[N-]1	REAL300020165231	1	38	-1.0	-47.28	353.31	0.89	-46.39
CSCC[C@H](NC(=O)C1=CN=C(C(C)O)S1)C1=N[N-]N=N1	REAL300020165232	0	36	-1.0	-44.89	338.10	-0.59	-45.48
CSCC[C@H](NC(=O)C1=CN=C(C(C)O)S1)C1=NN=N[N-]1	REAL300020165232	1	36	-1.0	-44.90	338.16	-0.58	-45.48
CSCC[C@H](NC(=O)C1=C(S(N)(=O)=O)SC(Cl)=C1)C1=N[N-]N=N1	REAL300020165233	0	35	-1.0	-56.83	354.56	0.01	-56.82
CSCC[C@H](NC(=O)C1=C(S(N)(=O)=O)SC(Cl)=C1)C1=NN=N[N-]1	REAL300020165233	1	35	-1.0	-56.86	354.62	0.03	-56.83
CCCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=N1	REAL300020165234	0	44	-1.0	-45.92	371.52	5.08	-40.84
CCCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=N1	REAL300020165234	1	44	-1.0	-45.96	371.57	5.10	-40.86
CSCC[C@H](NC(=O)C(O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020165235	0	37	-1.0	-51.67	334.74	0.48	-51.19
CSCC[C@H](NC(=O)C(O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020165235	1	37	-1.0	-51.68	334.69	0.47	-51.21
CSCC[C@H](NC(=O)C1=CC=CC=C1NC1CCCCC1)C1=N[N-]N=N1	REAL300020165236	0	51	-1.0	-46.23	408.69	6.60	-39.63
CSCC[C@H](NC(=O)C1=CC=CC=C1NC1CCCCC1)C1=NN=N[N-]1	REAL300020165236	1	51	-1.0	-46.23	408.75	6.62	-39.61
CSCC[C@H](NC(=O)C1=NN=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL300020165237	0	40	-1.0	-44.13	363.04	2.68	-41.45
CSCC[C@H](NC(=O)C1=NN=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL300020165237	1	40	-1.0	-44.15	362.98	2.66	-41.49
CSCC[C@H](NC(=O)C(C)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020165238	0	42	-1.0	-44.77	376.83	6.30	-38.47
CSCC[C@H](NC(=O)C(C)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020165238	1	42	-1.0	-44.74	376.89	6.32	-38.42
CSCC[C@H](NC(=O)C1CCC2=CC(C)=CC=C2O1)C1=N[N-]N=N1	REAL300020165239	0	44	-1.0	-49.54	375.55	6.44	-43.10
CSCC[C@H](NC(=O)C1CCC2=CC(C)=CC=C2O1)C1=NN=N[N-]1	REAL300020165239	1	44	-1.0	-49.53	375.61	6.46	-43.07
CCN1N=CC2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C(C)N=C21	REAL300020165240	0	44	-1.0	-46.19	380.07	4.77	-41.42
CCN1N=CC2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C(C)N=C21	REAL300020165240	1	44	-1.0	-46.17	380.13	4.79	-41.38
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL300020165241	0	36	-1.0	-41.90	328.33	3.60	-38.30
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL300020165241	1	36	-1.0	-41.93	328.39	3.61	-38.32
CSCC[C@H](NC(=O)C(C)(O)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165242	0	46	-1.0	-45.65	390.86	3.68	-41.97
CSCC[C@H](NC(=O)C(C)(O)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165242	1	46	-1.0	-45.67	390.92	3.69	-41.98
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300020165243	0	39	-1.0	-52.55	350.45	5.69	-46.86
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300020165243	1	39	-1.0	-52.56	350.50	5.71	-46.85
CCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C2C(C(C)C)=NOC2=N1	REAL300020165244	0	49	-1.0	-41.79	418.37	3.66	-38.13
CCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C2C(C(C)C)=NOC2=N1	REAL300020165244	1	49	-1.0	-41.80	418.43	3.67	-38.13
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165245	0	46	-1.0	-45.70	387.53	7.33	-38.37
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165245	1	46	-1.0	-45.69	387.59	7.34	-38.35
CSCC[C@H](NC(=O)C1=CC=CC(C#N)=C1C)C1=N[N-]N=N1	REAL300020165246	0	37	-1.0	-47.02	332.04	4.99	-42.03
CSCC[C@H](NC(=O)C1=CC=CC(C#N)=C1C)C1=NN=N[N-]1	REAL300020165246	1	37	-1.0	-47.01	332.10	5.00	-42.01
CSCC[C@H](NC(=O)C1=CC=C(Cl)C2=NC=CC=C12)C1=NN=N[N-]1	REAL300020165247	0	38	-1.0	-45.73	350.15	5.08	-40.65
CSCC[C@H](NC(=O)C1=CC=C(Cl)C2=NC=CC=C12)C1=N[N-]N=N1	REAL300020165247	1	38	-1.0	-45.73	350.09	5.06	-40.67
COCCOC1=CN=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165248	0	43	-1.0	-49.02	377.62	1.78	-47.24
COCCOC1=CN=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165248	1	43	-1.0	-49.03	377.56	1.76	-47.27
CSCC[C@H](NC(=O)C1=C2N=C(C)NC2=CC=C1)C1=NN=N[N-]1	REAL300020165249	0	39	-1.0	-59.89	344.75	3.74	-56.15
CSCC[C@H](NC(=O)C1=C2N=C(C)NC2=CC=C1)C1=N[N-]N=N1	REAL300020165249	1	39	-1.0	-59.86	344.70	3.72	-56.14
CSCC[C@H](NC(=O)C1=C2NC=CC(=O)N2N=C1)C1=N[N-]N=N1	REAL300020165250	0	36	-1.0	-52.66	329.91	1.92	-50.74
CSCC[C@H](NC(=O)C1=C2NC=CC(=O)N2N=C1)C1=NN=N[N-]1	REAL300020165250	1	36	-1.0	-52.67	329.97	1.93	-50.74
CCOC(=O)OC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020165251	0	43	-1.0	-47.87	385.76	6.02	-41.85
CCOC(=O)OC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020165251	1	43	-1.0	-47.88	385.82	6.04	-41.84
CSCC[C@H](NC(=O)C1=CC=C(C)C(C#N)=C1)C1=N[N-]N=N1	REAL300020165252	0	37	-1.0	-48.49	337.48	4.98	-43.51
CSCC[C@H](NC(=O)C1=CC=C(C)C(C#N)=C1)C1=NN=N[N-]1	REAL300020165252	1	37	-1.0	-48.49	337.54	5.00	-43.49
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020165253	0	43	-1.0	-44.72	385.16	5.32	-39.40
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020165253	1	43	-1.0	-44.74	385.11	5.30	-39.44
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020165254	0	47	-1.0	-54.55	407.18	8.81	-45.74
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020165254	1	47	-1.0	-54.56	407.24	8.83	-45.73
CSCC[C@H](NC(=O)C1=C2N=NN(C)C2=NC=C1)C1=NN=N[N-]1	REAL300020165255	0	37	-1.0	-57.88	335.60	1.91	-55.97
CSCC[C@H](NC(=O)C1=C2N=NN(C)C2=NC=C1)C1=N[N-]N=N1	REAL300020165255	1	37	-1.0	-57.87	335.54	1.90	-55.97
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020165256	0	43	-1.0	-51.93	379.14	6.32	-45.61
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020165256	1	43	-1.0	-51.92	379.19	6.34	-45.58
CSCC[C@H](NC(=O)C1CCN(CC(F)F)CC1)C1=N[N-]N=N1	REAL300020165257	0	44	-1.0	-51.68	368.68	2.96	-48.72
CSCC[C@H](NC(=O)C1CCN(CC(F)F)CC1)C1=NN=N[N-]1	REAL300020165257	1	44	-1.0	-51.68	368.74	2.97	-48.71
CSCC[C@H](NC(=O)C1C2C3CC4C5CC(C2C35)C41)C1=N[N-]N=N1	REAL300020165258	0	46	-1.0	-47.00	357.29	6.36	-40.64
CSCC[C@H](NC(=O)C1C2C3CC4C5CC(C2C35)C41)C1=NN=N[N-]1	REAL300020165258	1	46	-1.0	-46.92	357.35	6.38	-40.54
CSCC[C@H](NC(=O)C1=CC=NC=C1OC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165259	0	43	-1.0	-48.37	379.05	6.26	-42.11
CSCC[C@H](NC(=O)C1=CC=NC=C1OC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165259	1	43	-1.0	-48.41	378.99	6.24	-42.17
CSCC[C@H](NC(=O)C1=NC=CC=C1OC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165260	0	43	-1.0	-51.48	381.33	6.38	-45.10
CSCC[C@H](NC(=O)C1=NC=CC=C1OC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165260	1	43	-1.0	-51.44	381.28	6.36	-45.08
CSCC[C@H](NC(=O)C1=C(Br)N(C)N=C1C)C1=N[N-]N=N1	REAL300020165261	0	36	-1.0	-45.37	346.18	2.79	-42.58
CSCC[C@H](NC(=O)C1=C(Br)N(C)N=C1C)C1=NN=N[N-]1	REAL300020165261	1	36	-1.0	-45.34	346.24	2.80	-42.54
CSCC[C@H](NC(=O)COC1=CSC=C1)C1=N[N-]N=N1	REAL300020165262	0	34	-1.0	-48.16	321.90	3.62	-44.54
CSCC[C@H](NC(=O)COC1=CSC=C1)C1=NN=N[N-]1	REAL300020165262	1	34	-1.0	-48.15	321.96	3.64	-44.51
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(C)C(N)=O)C1=N[N-]N=N1	REAL300020165263	0	44	-1.0	-60.80	387.16	2.50	-58.30
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(C)C(N)=O)C1=NN=N[N-]1	REAL300020165263	1	44	-1.0	-60.76	387.22	2.51	-58.25
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=CC=C2N=C1C)C1=N[N-]N=N1	REAL300020165264	0	44	-1.0	-51.34	385.16	5.18	-46.16
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=CC=C2N=C1C)C1=NN=N[N-]1	REAL300020165264	1	44	-1.0	-51.39	385.22	5.20	-46.19
CCC1CCCCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165265	0	45	-1.0	-46.74	351.33	5.38	-41.36
CCC1CCCCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165265	1	45	-1.0	-46.70	351.38	5.40	-41.30
CSCC[C@H](NC(=O)C1=C(Cl)C=CC(F)=C1C)C1=N[N-]N=N1	REAL300020165266	0	36	-1.0	-45.64	341.84	4.92	-40.72
CSCC[C@H](NC(=O)C1=C(Cl)C=CC(F)=C1C)C1=NN=N[N-]1	REAL300020165266	1	36	-1.0	-45.67	341.89	4.94	-40.73
CSCC[C@H](NC(=O)C1=C(N)N(C(C)C)N=C1)C1=NN=N[N-]1	REAL300020165267	0	41	-1.0	-46.82	354.54	2.46	-44.36
CSCC[C@H](NC(=O)C1=C(N)N(C(C)C)N=C1)C1=N[N-]N=N1	REAL300020165267	1	41	-1.0	-46.85	354.48	2.44	-44.41
CCOC(CN1N=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1N)OCC	REAL300020165268	0	52	-1.0	-47.14	438.58	2.55	-44.59
CCOC(CN1N=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1N)OCC	REAL300020165268	1	52	-1.0	-47.15	438.52	2.54	-44.61
CSCC[C@H](NC(=O)C1(O)CCC(C)CC1)C1=N[N-]N=N1	REAL300020165269	0	43	-1.0	-43.78	351.26	2.02	-41.76
CSCC[C@H](NC(=O)C1(O)CCC(C)CC1)C1=NN=N[N-]1	REAL300020165269	1	43	-1.0	-43.80	351.32	2.04	-41.76
COC1=CC=C2OC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C2=C1	REAL300020165270	0	40	-1.0	-54.89	355.68	3.69	-51.20
COC1=CC=C2OC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C2=C1	REAL300020165270	1	40	-1.0	-54.90	355.74	3.71	-51.19
CCCC1=NOC2=NC(CC)=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C12	REAL300020165271	0	49	-1.0	-44.43	412.71	4.14	-40.29
CCCC1=NOC2=NC(CC)=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C12	REAL300020165271	1	49	-1.0	-44.45	412.77	4.16	-40.29
CSCC[C@H](NC(=O)C(NC(=O)C(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300020165272	0	51	-1.0	-41.59	409.82	3.82	-37.77
CSCC[C@H](NC(=O)C(NC(=O)C(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300020165272	1	51	-1.0	-41.67	409.87	3.83	-37.84
CSCC[C@H](NC(=O)C(C)(C)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165273	0	49	-1.0	-45.21	413.94	6.22	-38.99
CSCC[C@H](NC(=O)C(C)(C)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165273	1	49	-1.0	-45.22	414.00	6.23	-38.99
CSCC[C@H](NC(=O)[C@@H](O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165274	0	40	-1.0	-44.49	353.27	3.48	-41.01
CSCC[C@H](NC(=O)[C@@H](O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165274	1	40	-1.0	-44.48	353.32	3.49	-40.99
CSCC[C@H](NC(=O)C1=CON=C1C1CC1)C1=N[N-]N=N1	REAL300020165275	0	36	-1.0	-46.54	326.73	3.70	-42.84
CSCC[C@H](NC(=O)C1=CON=C1C1CC1)C1=NN=N[N-]1	REAL300020165275	1	36	-1.0	-46.59	326.79	3.72	-42.87
CNC1=NC(C)=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020165276	0	39	-1.0	-45.20	348.59	3.27	-41.93
CNC1=NC(C)=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020165276	1	39	-1.0	-45.18	348.65	3.28	-41.90
CSCC[C@H](NC(=O)C1=C(C2(O)CCOCC2)OC=C1)C1=N[N-]N=N1	REAL300020165277	0	45	-1.0	-47.53	376.58	1.74	-45.79
CSCC[C@H](NC(=O)C1=C(C2(O)CCOCC2)OC=C1)C1=NN=N[N-]1	REAL300020165277	1	45	-1.0	-47.53	376.63	1.75	-45.78
CSCC[C@H](NC(=O)C1(C(F)F)CCCCC1)C1=N[N-]N=N1	REAL300020165278	0	42	-1.0	-44.93	346.09	4.87	-40.06
CSCC[C@H](NC(=O)C1(C(F)F)CCCCC1)C1=NN=N[N-]1	REAL300020165278	1	42	-1.0	-44.93	346.15	4.89	-40.04
CSCC[C@H](NC(=O)C1=CC(Br)=CC2=NNN=C21)C1=N[N-]N=N1	REAL300020165279	0	35	-1.0	-48.69	339.31	2.03	-46.66
CSCC[C@H](NC(=O)C1=CC(Br)=CC2=NNN=C21)C1=NN=N[N-]1	REAL300020165279	1	35	-1.0	-48.70	339.37	2.04	-46.66
CSCC[C@H](NC(=O)C(C)(C)CSC)C1=N[N-]N=N1	REAL300020165280	0	39	-1.0	-43.88	340.36	4.06	-39.82
CSCC[C@H](NC(=O)C(C)(C)CSC)C1=NN=N[N-]1	REAL300020165280	1	39	-1.0	-43.89	340.42	4.07	-39.82
CSCC[C@H](NC(=O)CC(NC(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300020165281	0	55	-1.0	-50.38	438.37	3.85	-46.53
CSCC[C@H](NC(=O)CC(NC(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300020165281	1	55	-1.0	-50.37	438.43	3.86	-46.51
CSCC[C@H](NC(=O)C1=C(C)N(C)C2=NN=NN2C1)C1=NN=N[N-]1	REAL300020165282	0	41	-1.0	-43.29	357.54	3.96	-39.33
CSCC[C@H](NC(=O)C1=C(C)N(C)C2=NN=NN2C1)C1=N[N-]N=N1	REAL300020165282	1	41	-1.0	-43.29	357.48	3.94	-39.35
CSCC[C@H](NC(=O)C1=CN=CC(N2C=CN=N2)=C1)C1=NN=N[N-]1	REAL300020165283	0	38	-1.0	-54.12	345.11	2.22	-51.90
CSCC[C@H](NC(=O)C1=CN=CC(N2C=CN=N2)=C1)C1=N[N-]N=N1	REAL300020165283	1	38	-1.0	-54.11	345.06	2.20	-51.91
CSCC[C@H](NC(=O)C=CC1=CN=CS1)C1=N[N-]N=N1	REAL300020165284	0	33	-1.0	-46.37	317.39	2.56	-43.81
CSCC[C@H](NC(=O)C=CC1=CN=CS1)C1=NN=N[N-]1	REAL300020165284	1	33	-1.0	-46.38	317.45	2.57	-43.81
CSCC[C@H](NC(=O)C1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=NN=N[N-]1	REAL300020165285	0	36	-1.0	-46.54	361.53	5.53	-41.01
CSCC[C@H](NC(=O)C1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=N[N-]N=N1	REAL300020165285	1	36	-1.0	-46.55	361.48	5.52	-41.03
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020165286	0	44	-1.0	-54.55	388.27	5.87	-48.68
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020165286	1	44	-1.0	-54.60	388.21	5.85	-48.75
COC1=CC=CC=C1N1N=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020165287	0	47	-1.0	-51.43	404.62	5.17	-46.26
COC1=CC=CC=C1N1N=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020165287	1	47	-1.0	-51.45	404.68	5.18	-46.27
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165288	0	49	-1.0	-50.69	414.51	6.03	-44.66
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165288	1	49	-1.0	-50.68	414.57	6.05	-44.63
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)C(Cl)=N1)C1=NN=N[N-]1	REAL300020165289	0	36	-1.0	-49.23	342.16	-0.39	-49.62
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)C(Cl)=N1)C1=N[N-]N=N1	REAL300020165289	1	36	-1.0	-49.21	342.10	-0.40	-49.61
CSCC[C@H](NC(=O)CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300020165290	0	33	-1.0	-44.47	329.43	4.49	-39.98
CSCC[C@H](NC(=O)CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300020165290	1	33	-1.0	-44.48	329.48	4.51	-39.97
CCC(C)CCC(O)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165291	0	48	-1.0	-48.54	393.11	3.63	-44.91
CCC(C)CCC(O)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165291	1	48	-1.0	-48.55	393.17	3.65	-44.90
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(F)=C1N)C1=N[N-]N=N1	REAL300020165292	0	35	-1.0	-40.89	329.51	2.92	-37.97
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(F)=C1N)C1=NN=N[N-]1	REAL300020165292	1	35	-1.0	-40.88	329.57	2.93	-37.95
CCC(O)(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020165293	0	43	-1.0	-43.79	378.59	3.33	-40.46
CCC(O)(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020165293	1	43	-1.0	-43.81	378.65	3.35	-40.46
CSCC[C@H](NC(=O)C1CCCC(F)(F)C1)C1=N[N-]N=N1	REAL300020165294	0	39	-1.0	-43.87	334.44	4.45	-39.42
CSCC[C@H](NC(=O)C1CCCC(F)(F)C1)C1=NN=N[N-]1	REAL300020165294	1	39	-1.0	-43.81	334.49	4.46	-39.35
CCC1=NC2=CC=CC=C2C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020165295	0	47	-1.0	-46.70	399.27	5.96	-40.74
CCC1=NC2=CC=CC=C2C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020165295	1	47	-1.0	-46.69	399.33	5.98	-40.71
CSCC[C@H](NC(=O)C1=C(C)NC(C=O)=C1)C1=N[N-]N=N1	REAL300020165296	0	36	-1.0	-47.96	326.43	2.09	-45.87
CSCC[C@H](NC(=O)C1=C(C)NC(C=O)=C1)C1=NN=N[N-]1	REAL300020165296	1	36	-1.0	-47.93	326.49	2.10	-45.83
CSCC[C@H](NC(=O)C1=NN2C=CC(Cl)=CC2=C1)C1=NN=N[N-]1	REAL300020165297	0	36	-1.0	-47.39	345.65	4.28	-43.11
CSCC[C@H](NC(=O)C1=NN2C=CC(Cl)=CC2=C1)C1=N[N-]N=N1	REAL300020165297	1	36	-1.0	-47.37	345.59	4.27	-43.10
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)NC2=N1)C1=N[N-]N=N1	REAL300020165298	0	36	-1.0	-47.05	330.37	0.21	-46.84
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)NC2=N1)C1=NN=N[N-]1	REAL300020165298	1	36	-1.0	-47.10	330.42	0.23	-46.87
CSCC[C@H](NC(=O)C1=CN=C(C)N=C1C1CC1)C1=N[N-]N=N1	REAL300020165299	0	41	-1.0	-43.77	356.55	4.39	-39.38
CSCC[C@H](NC(=O)C1=CN=C(C)N=C1C1CC1)C1=NN=N[N-]1	REAL300020165299	1	41	-1.0	-43.76	356.61	4.40	-39.36
CSCC[C@H](NC(=O)C1=CSC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL300020165300	0	39	-1.0	-48.77	353.30	6.06	-42.71
CSCC[C@H](NC(=O)C1=CSC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL300020165300	1	39	-1.0	-48.72	353.36	6.08	-42.64
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020165301	0	42	-1.0	-49.12	394.19	6.27	-42.85
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020165301	1	42	-1.0	-49.12	394.14	6.25	-42.87
CSCC[C@H](NC(=O)CN1CCC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020165302	0	44	-1.0	-52.22	380.98	5.21	-47.01
CSCC[C@H](NC(=O)CN1CCC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020165302	1	44	-1.0	-52.25	381.04	5.23	-47.02
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1C)C1=N[N-]N=N1	REAL300020165303	0	36	-1.0	-44.94	327.46	5.19	-39.75
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1C)C1=NN=N[N-]1	REAL300020165303	1	36	-1.0	-44.96	327.51	5.21	-39.75
CSCC[C@H](NC(=O)C(C)(O)CN1C=CC(C)=CC1=O)C1=N[N-]N=N1	REAL300020165304	0	46	-1.0	-46.54	391.18	2.47	-44.07
CSCC[C@H](NC(=O)C(C)(O)CN1C=CC(C)=CC1=O)C1=NN=N[N-]1	REAL300020165304	1	46	-1.0	-46.53	391.24	2.49	-44.04
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C(N(C)C)C=C1F)C1=N[N-]N=N1	REAL300020165305	0	43	-1.0	-46.19	382.17	5.45	-40.74
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C(N(C)C)C=C1F)C1=NN=N[N-]1	REAL300020165305	1	43	-1.0	-46.22	382.23	5.47	-40.75
CSCC[C@H](NC(=O)C1=CC=NC(N)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020165306	0	36	-1.0	-54.42	334.19	2.78	-51.64
CSCC[C@H](NC(=O)C1=CC=NC(N)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020165306	1	36	-1.0	-54.40	334.13	2.76	-51.64
CSCC[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)C1=N[N-]N=N1	REAL300020165307	0	46	0.0	-61.20	367.15	5.36	-55.84
CSCC[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)C1=NN=N[N-]1	REAL300020165307	1	46	0.0	-61.23	367.21	5.38	-55.85
CSCC[C@H](NC(=O)C1=CC=C(NC(C)C)N=C1)C1=N[N-]N=N1	REAL300020165308	0	43	-1.0	-46.48	367.75	3.45	-43.03
CSCC[C@H](NC(=O)C1=CC=C(NC(C)C)N=C1)C1=NN=N[N-]1	REAL300020165308	1	43	-1.0	-46.45	367.81	3.46	-42.99
CSCC[C@H](NC(=O)C1=CC=C(OC(F)(F)Cl)C=C1)C1=N[N-]N=N1	REAL300020165309	0	37	-1.0	-44.53	353.91	4.41	-40.12
CSCC[C@H](NC(=O)C1=CC=C(OC(F)(F)Cl)C=C1)C1=NN=N[N-]1	REAL300020165309	1	37	-1.0	-44.54	353.97	4.42	-40.12
CSCC[C@H](NC(=O)C1CN(C)C(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020165310	0	44	-1.0	-59.17	376.73	4.79	-54.38
CSCC[C@H](NC(=O)C1CN(C)C(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020165310	1	44	-1.0	-59.19	376.79	4.80	-54.39
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N1CC(F)(F)F)C1=N[N-]N=N1	REAL300020165311	0	43	-1.0	-47.94	388.42	6.90	-41.04
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N1CC(F)(F)F)C1=NN=N[N-]1	REAL300020165311	1	43	-1.0	-47.93	388.44	6.92	-41.01
CSCC[C@H](NC(=O)C1=CNC=C1C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020165312	0	41	-1.0	-59.41	369.63	5.66	-53.75
CSCC[C@H](NC(=O)C1=CNC=C1C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020165312	1	41	-1.0	-59.45	369.68	5.67	-53.78
CCCCCCCCCC(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165313	0	59	-1.0	-45.03	469.09	9.25	-35.78
CCCCCCCCCC(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165313	1	59	-1.0	-44.98	469.15	9.26	-35.72
CSCC[C@H](NC(=O)CC(C)C1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020165314	0	46	-1.0	-47.55	391.58	6.14	-41.41
CSCC[C@H](NC(=O)CC(C)C1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020165314	1	46	-1.0	-47.58	391.63	6.16	-41.42
CSCC[C@H](NC(=O)C1=CC=C(F)C(C#N)=C1)C1=N[N-]N=N1	REAL300020165315	0	34	-1.0	-46.53	324.23	4.52	-42.01
CSCC[C@H](NC(=O)C1=CC=C(F)C(C#N)=C1)C1=NN=N[N-]1	REAL300020165315	1	34	-1.0	-46.48	324.29	4.54	-41.94
CNC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020165316	0	37	-1.0	-47.03	327.26	1.97	-45.06
CNC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020165316	1	37	-1.0	-47.03	327.31	1.98	-45.05
CSCC[C@H](NC(=O)C1=CC(O)=C2C=CSC2=C1)C1=N[N-]N=N1	REAL300020165317	0	37	-1.0	-48.00	345.27	2.61	-45.39
CSCC[C@H](NC(=O)C1=CC(O)=C2C=CSC2=C1)C1=NN=N[N-]1	REAL300020165317	1	37	-1.0	-48.02	345.32	2.63	-45.39
CSCC[C@H](NC(=O)C1=NC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL300020165318	0	34	-1.0	-50.16	326.99	1.66	-48.50
CSCC[C@H](NC(=O)C1=NC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL300020165318	1	34	-1.0	-50.17	326.94	1.64	-48.53
CSCC[C@H](NC(=O)C12CCC[NH+]1CCC2)C1=NN=N[N-]1	REAL300020165319	0	43	0.0	-55.50	342.37	4.50	-51.00
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(N)=C1Cl)C1=N[N-]N=N1	REAL300020165320	0	35	-1.0	-45.21	337.11	3.12	-42.09
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(N)=C1Cl)C1=NN=N[N-]1	REAL300020165320	1	35	-1.0	-45.18	337.17	3.14	-42.04
CSCC[C@H](NC(=O)C1=CC=C(NCC2CC2)N=C1)C1=N[N-]N=N1	REAL300020165321	0	44	-1.0	-46.12	380.29	4.34	-41.78
CSCC[C@H](NC(=O)C1=CC=C(NCC2CC2)N=C1)C1=NN=N[N-]1	REAL300020165321	1	44	-1.0	-46.15	380.35	4.35	-41.80
CSCC[C@H](NC(=O)C1=NC(C)=C(C)S1)C1=N[N-]N=N1	REAL300020165322	0	35	-1.0	-49.60	325.32	2.43	-47.17
CSCC[C@H](NC(=O)C1=NC(C)=C(C)S1)C1=NN=N[N-]1	REAL300020165322	1	35	-1.0	-49.62	325.37	2.45	-47.17
CSCC[C@H](NC(=O)C1CCCC2=NN(C)C=C21)C1=N[N-]N=N1	REAL300020165323	0	43	-1.0	-48.10	359.98	4.34	-43.76
CSCC[C@H](NC(=O)C1CCCC2=NN(C)C=C21)C1=NN=N[N-]1	REAL300020165323	1	43	-1.0	-48.04	360.03	4.35	-43.69
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CC2)S1)C1=N[N-]N=N1	REAL300020165324	0	39	-1.0	-44.79	354.86	4.24	-40.55
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CC2)S1)C1=NN=N[N-]1	REAL300020165324	1	39	-1.0	-44.81	354.92	4.26	-40.55
CSCC[C@H](NC(=O)C1(C2=CN=CC(Br)=C2)CC1)C1=NN=N[N-]1	REAL300020165325	0	39	-1.0	-48.12	367.08	4.69	-43.43
CSCC[C@H](NC(=O)C1(C2=CN=CC(Br)=C2)CC1)C1=N[N-]N=N1	REAL300020165325	1	39	-1.0	-48.10	367.03	4.68	-43.42
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL300020165326	0	49	-1.0	-54.17	418.01	4.05	-50.12
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL300020165326	1	49	-1.0	-54.19	418.06	4.07	-50.12
CSCC[C@H](NC(=O)C1=C(C)OC(C#N)=C1)C1=N[N-]N=N1	REAL300020165327	0	34	-1.0	-42.24	319.73	3.37	-38.87
CSCC[C@H](NC(=O)C1=C(C)OC(C#N)=C1)C1=NN=N[N-]1	REAL300020165327	1	34	-1.0	-42.22	319.79	3.39	-38.83
CSCC[C@H](NC(=O)CC1CCC(F)(F)C1)C1=N[N-]N=N1	REAL300020165328	0	39	-1.0	-48.66	338.44	4.60	-44.06
CSCC[C@H](NC(=O)CC1CCC(F)(F)C1)C1=NN=N[N-]1	REAL300020165328	1	39	-1.0	-48.67	338.50	4.61	-44.06
CSCC[C@H](NC(=O)CC1=C(Br)C(=O)NC=C1)C1=N[N-]N=N1	REAL300020165329	0	36	-1.0	-59.70	344.05	2.17	-57.53
CSCC[C@H](NC(=O)CC1=C(Br)C(=O)NC=C1)C1=NN=N[N-]1	REAL300020165329	1	36	-1.0	-59.70	344.10	2.19	-57.51
COC1=CC=CC(C(C)CCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165330	0	52	-1.0	-48.95	430.33	6.76	-42.19
COC1=CC=CC(C(C)CCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165330	1	52	-1.0	-48.94	430.39	6.78	-42.16
CSCC[C@H](NC(=O)C1=CN(C2=CC(C)=CC(F)=C2)N=N1)C1=NN=N[N-]1	REAL300020165331	0	42	-1.0	-45.12	382.75	4.53	-40.59
CSCC[C@H](NC(=O)C1=CN(C2=CC(C)=CC(F)=C2)N=N1)C1=N[N-]N=N1	REAL300020165331	1	42	-1.0	-45.09	382.69	4.51	-40.58
CSCC[C@H](NC(=O)C1CCCC2=C1N=C(C)S2)C1=N[N-]N=N1	REAL300020165332	0	42	-1.0	-47.08	364.44	4.77	-42.31
CSCC[C@H](NC(=O)C1CCCC2=C1N=C(C)S2)C1=NN=N[N-]1	REAL300020165332	1	42	-1.0	-47.08	364.50	4.78	-42.30
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=CN1)C1=N[N-]N=N1	REAL300020165333	0	41	-1.0	-48.86	379.01	5.95	-42.91
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=CN1)C1=NN=N[N-]1	REAL300020165333	1	41	-1.0	-48.92	379.07	5.96	-42.96
CSCC[C@H](NC(=O)C1=C(C)C2=CC(C)=C(C)C=C2S1)C1=N[N-]N=N1	REAL300020165334	0	45	-1.0	-46.36	390.24	7.32	-39.04
CSCC[C@H](NC(=O)C1=C(C)C2=CC(C)=C(C)C=C2S1)C1=NN=N[N-]1	REAL300020165334	1	45	-1.0	-46.34	390.30	7.33	-39.01
CCCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C1=CC=CC(C)=C1	REAL300020165335	0	52	-1.0	-47.83	437.94	7.80	-40.03
CCCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C1=CC=CC(C)=C1	REAL300020165335	1	52	-1.0	-47.79	438.00	7.81	-39.98
CSCC[C@H](NC(=O)CC1CC(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020165336	0	46	-1.0	-46.47	386.89	7.34	-39.13
CSCC[C@H](NC(=O)CC1CC(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020165336	1	46	-1.0	-46.50	386.95	7.36	-39.14
CSCC[C@H](NC(=O)CCCC1CCOCC1)C1=N[N-]N=N1	REAL300020165337	0	46	-1.0	-45.92	376.97	4.12	-41.80
CSCC[C@H](NC(=O)CCCC1CCOCC1)C1=NN=N[N-]1	REAL300020165337	1	46	-1.0	-45.92	377.03	4.14	-41.78
CSCC[C@H](NC(=O)C1=CC=CC(C2CCC2)=C1)C1=N[N-]N=N1	REAL300020165338	0	43	-1.0	-47.50	363.25	6.65	-40.85
CSCC[C@H](NC(=O)C1=CC=CC(C2CCC2)=C1)C1=NN=N[N-]1	REAL300020165338	1	43	-1.0	-47.51	363.31	6.67	-40.84
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1SC)C1=N[N-]N=N1	REAL300020165339	0	37	-1.0	-49.63	343.30	5.23	-44.40
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1SC)C1=NN=N[N-]1	REAL300020165339	1	37	-1.0	-49.65	343.36	5.25	-44.40
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1	REAL300020165340	0	39	-1.0	-49.74	345.18	2.42	-47.32
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1	REAL300020165340	1	39	-1.0	-49.76	345.24	2.43	-47.33
CSCC[C@H](NC(=O)C1=C(CC2=CC=CC=C2)N(C)N=C1)C1=N[N-]N=N1	REAL300020165341	0	46	-1.0	-48.41	390.47	5.85	-42.56
CSCC[C@H](NC(=O)C1=C(CC2=CC=CC=C2)N(C)N=C1)C1=NN=N[N-]1	REAL300020165341	1	46	-1.0	-48.43	390.52	5.86	-42.57
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CN(C)N=C1	REAL300020165342	0	40	-1.0	-56.03	358.07	2.67	-53.36
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CN(C)N=C1	REAL300020165342	1	40	-1.0	-56.03	358.01	2.66	-53.37
CSCC[C@H](NC(=O)C(C)(C)C1=C(C)ON=C1C)C1=N[N-]N=N1	REAL300020165343	0	44	-1.0	-46.79	359.99	4.23	-42.56
CSCC[C@H](NC(=O)C(C)(C)C1=C(C)ON=C1C)C1=NN=N[N-]1	REAL300020165343	1	44	-1.0	-46.81	360.05	4.24	-42.57
CSCC[C@H](NC(=O)C1=CC=C(C)C(C(C)=O)=C1)C1=N[N-]N=N1	REAL300020165344	0	41	-1.0	-45.25	356.14	5.26	-39.99
CSCC[C@H](NC(=O)C1=CC=C(C)C(C(C)=O)=C1)C1=NN=N[N-]1	REAL300020165344	1	41	-1.0	-45.25	356.19	5.28	-39.97
COC1=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1O	REAL300020165345	0	45	-1.0	-51.74	391.64	1.77	-49.97
COC1=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1O	REAL300020165345	1	45	-1.0	-51.73	391.69	1.78	-49.95
CSCC[C@H](NC(=O)C1=CC=NN1CC(F)F)C1=NN=N[N-]1	REAL300020165346	0	36	-1.0	-43.48	332.83	2.95	-40.53
CSCC[C@H](NC(=O)C1=CC=NN1CC(F)F)C1=N[N-]N=N1	REAL300020165346	1	36	-1.0	-43.46	332.78	2.93	-40.53
CSCC[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)C1=N[N-]N=N1	REAL300020165347	0	42	-1.0	-44.59	360.69	5.25	-39.34
CSCC[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)C1=NN=N[N-]1	REAL300020165347	1	42	-1.0	-44.57	360.74	5.27	-39.30
CSCC[C@H](NC(=O)CC1=CC=CC=C1NC(C)=O)C1=N[N-]N=N1	REAL300020165348	0	43	-1.0	-47.36	375.08	3.85	-43.51
CSCC[C@H](NC(=O)CC1=CC=CC=C1NC(C)=O)C1=NN=N[N-]1	REAL300020165348	1	43	-1.0	-47.37	375.14	3.87	-43.50
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C1CC1	REAL300020165349	0	44	-1.0	-47.67	374.99	5.55	-42.12
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C1CC1	REAL300020165349	1	44	-1.0	-47.73	375.05	5.56	-42.17
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OCCO	REAL300020165350	0	45	-1.0	-50.90	389.37	1.15	-49.75
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OCCO	REAL300020165350	1	45	-1.0	-50.89	389.43	1.16	-49.73
CSCC[C@H](NC(=O)C1=CC=C(F)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020165351	0	39	-1.0	-45.61	344.60	6.41	-39.20
CSCC[C@H](NC(=O)C1=CC=C(F)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020165351	1	39	-1.0	-45.65	344.54	6.39	-39.26
CSCC[C@H](NC(=O)C1CCC(F)(F)C1)C1=N[N-]N=N1	REAL300020165352	0	36	-1.0	-44.26	318.16	3.82	-40.44
CSCC[C@H](NC(=O)C1CCC(F)(F)C1)C1=NN=N[N-]1	REAL300020165352	1	36	-1.0	-44.22	318.22	3.84	-40.38
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=COC=C1)C1=NN=N[N-]1	REAL300020165353	0	40	-1.0	-52.20	358.81	3.52	-48.68
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=COC=C1)C1=N[N-]N=N1	REAL300020165353	1	40	-1.0	-52.22	358.75	3.51	-48.71
CSCC[C@H](NC(=O)[C@@H](CC1CCC1)NC(C)=O)C1=N[N-]N=N1	REAL300020165354	0	46	-1.0	-51.06	380.47	4.30	-46.76
CSCC[C@H](NC(=O)[C@@H](CC1CCC1)NC(C)=O)C1=NN=N[N-]1	REAL300020165354	1	46	-1.0	-51.07	380.53	4.32	-46.75
CSCC[C@H](NC(=O)CCC1=NC(C)=CS1)C1=N[N-]N=N1	REAL300020165355	0	38	-1.0	-44.97	350.14	3.27	-41.70
CSCC[C@H](NC(=O)CCC1=NC(C)=CS1)C1=NN=N[N-]1	REAL300020165355	1	38	-1.0	-44.93	350.20	3.29	-41.64
COC(CNC(=O)OC(C)(C)C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165356	0	53	-1.0	-46.81	434.55	2.24	-44.57
COC(CNC(=O)OC(C)(C)C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165356	1	53	-1.0	-46.78	434.60	2.26	-44.52
CSCC[C@H](NC(=O)C1=NN(C2=CC=NC=C2)C=C1)C1=N[N-]N=N1	REAL300020165357	0	39	-1.0	-49.51	354.06	3.49	-46.02
CSCC[C@H](NC(=O)C1=NN(C2=CC=NC=C2)C=C1)C1=NN=N[N-]1	REAL300020165357	1	39	-1.0	-49.50	354.12	3.50	-46.00
CSCC[C@H](NC(=O)C1=C(C)OC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020165358	0	38	-1.0	-50.59	355.84	-2.14	-52.73
CSCC[C@H](NC(=O)C1=C(C)OC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020165358	1	38	-1.0	-50.61	355.90	-2.12	-52.73
CSCC[C@H](NC(=O)C1=COC(C2CCC2)=N1)C1=N[N-]N=N1	REAL300020165359	0	39	-1.0	-45.46	344.75	1.49	-43.97
CSCC[C@H](NC(=O)C1=COC(C2CCC2)=N1)C1=NN=N[N-]1	REAL300020165359	1	39	-1.0	-45.46	344.80	1.50	-43.96
CSCC[C@H](NC(=O)C(C1=CC=CN=C1)C(C)C)C1=N[N-]N=N1	REAL300020165360	0	44	-1.0	-51.31	367.22	5.16	-46.15
CSCC[C@H](NC(=O)C(C1=CC=CN=C1)C(C)C)C1=NN=N[N-]1	REAL300020165360	1	44	-1.0	-51.32	367.28	5.18	-46.14
CSCC[C@H](NC(=O)COC1=CC=C([N+](=O)[O-])C(C)=C1)C1=N[N-]N=N1	REAL300020165361	0	42	-1.0	-49.08	375.26	5.84	-43.24
CSCC[C@H](NC(=O)COC1=CC=C([N+](=O)[O-])C(C)=C1)C1=NN=N[N-]1	REAL300020165361	1	42	-1.0	-49.06	375.31	5.86	-43.20
CSCC[C@H](NC(=O)C1C(C)C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165362	0	43	-1.0	-47.55	367.53	6.64	-40.91
CSCC[C@H](NC(=O)C1C(C)C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165362	1	43	-1.0	-47.49	367.59	6.66	-40.83
CSCC[C@H](NC(=O)C(F)(F)C1=NC=CC=C1C)C1=NN=N[N-]1	REAL300020165363	0	38	-1.0	-48.61	341.04	4.26	-44.35
CSCC[C@H](NC(=O)C(F)(F)C1=NC=CC=C1C)C1=N[N-]N=N1	REAL300020165363	1	38	-1.0	-48.63	340.98	4.25	-44.38
CSCC[C@H](NC(=O)C1=C(F)C=CC=C1SC)C1=N[N-]N=N1	REAL300020165364	0	37	-1.0	-52.38	346.68	4.90	-47.48
CSCC[C@H](NC(=O)C1=C(F)C=CC=C1SC)C1=NN=N[N-]1	REAL300020165364	1	37	-1.0	-52.40	346.73	4.92	-47.48
C#CC1=CN=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165365	0	34	-1.0	-46.07	319.81	3.49	-42.58
C#CC1=CN=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165365	1	34	-1.0	-46.02	319.86	3.51	-42.51
CSCC[C@H](NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300020165366	0	43	-2.0	-122.65	390.48	3.96	-118.69
CSCC[C@H](NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300020165366	1	43	-2.0	-122.66	390.54	3.97	-118.69
CSCC[C@H](NC(=O)C(CC(N)=O)NC(=O)CC(C)C)C1=N[N-]N=N1	REAL300020165367	0	49	-1.0	-48.83	416.15	-0.36	-49.19
CSCC[C@H](NC(=O)C(CC(N)=O)NC(=O)CC(C)C)C1=NN=N[N-]1	REAL300020165367	1	49	-1.0	-48.87	416.21	-0.34	-49.21
CSCC[C@H](NC(=O)CC1=CC=C([Si](C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020165368	0	48	-1.0	-49.19	415.02	9.26	-39.93
CSCC[C@H](NC(=O)CC1=CC=C([Si](C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020165368	1	48	-1.0	-49.17	415.08	9.27	-39.90
CSCC[C@H](NC(=O)CC(C)(C)C(F)(F)F)C1=N[N-]N=N1	REAL300020165369	0	38	-1.0	-40.91	330.29	3.91	-37.00
CSCC[C@H](NC(=O)CC(C)(C)C(F)(F)F)C1=NN=N[N-]1	REAL300020165369	1	38	-1.0	-40.91	330.35	3.93	-36.98
COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020165370	0	45	-1.0	-46.51	377.96	4.97	-41.54
COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020165370	1	45	-1.0	-46.54	378.02	4.98	-41.56
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300020165371	0	37	-1.0	-43.00	359.52	5.89	-37.11
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300020165371	1	37	-1.0	-43.01	359.57	5.91	-37.10
CSCC[C@H](NC(=O)C1=C(C)N(CC2=NOC(C)=N2)N=N1)C1=N[N-]N=N1	REAL300020165372	0	43	-1.0	-49.56	387.56	0.29	-49.27
CSCC[C@H](NC(=O)C1=C(C)N(CC2=NOC(C)=N2)N=N1)C1=NN=N[N-]1	REAL300020165372	1	43	-1.0	-49.56	387.62	0.30	-49.26
CSCC[C@H](NC(=O)C1=CN(CC2=NOC(C)=N2)N=N1)C1=N[N-]N=N1	REAL300020165373	0	40	-1.0	-51.53	371.66	-0.24	-51.77
CSCC[C@H](NC(=O)C1=CN(CC2=NOC(C)=N2)N=N1)C1=NN=N[N-]1	REAL300020165373	1	40	-1.0	-51.58	371.71	-0.23	-51.81
CSCC[C@H](NC(=O)C(C)C1=CC=CC=N1)C1=N[N-]N=N1	REAL300020165374	0	38	-1.0	-47.05	332.90	3.38	-43.67
CSCC[C@H](NC(=O)C(C)C1=CC=CC=N1)C1=NN=N[N-]1	REAL300020165374	1	38	-1.0	-47.05	332.96	3.39	-43.66
CCSC1=NC=CN=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165375	0	38	-1.0	-48.74	349.53	2.64	-46.10
CCSC1=NC=CN=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165375	1	38	-1.0	-48.72	349.47	2.62	-46.10
CCC1=NNC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1Br	REAL300020165376	0	36	-1.0	-43.20	341.45	2.49	-40.71
CCC1=NNC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1Br	REAL300020165376	1	36	-1.0	-43.19	341.51	2.51	-40.68
CSCC[C@H](NC(=O)C1=NN(CC(F)F)C=C1)C1=NN=N[N-]1	REAL300020165377	0	36	-1.0	-50.48	337.49	3.04	-47.44
CSCC[C@H](NC(=O)C1=NN(CC(F)F)C=C1)C1=N[N-]N=N1	REAL300020165377	1	36	-1.0	-50.51	337.44	3.02	-47.49
CSCC[C@H](NC(=O)C1=C2NC=CC=C2N=C1)C1=NN=N[N-]1	REAL300020165378	0	36	-1.0	-56.28	324.44	2.30	-53.98
CSCC[C@H](NC(=O)C1=C2NC=CC=C2N=C1)C1=N[N-]N=N1	REAL300020165378	1	36	-1.0	-56.35	324.38	2.28	-54.07
CSCC[C@H](NC(=O)CC1=CC=CN=C1Br)C1=NN=N[N-]1	REAL300020165379	0	35	-1.0	-46.46	334.98	3.37	-43.09
CSCC[C@H](NC(=O)CC1=CC=CN=C1Br)C1=N[N-]N=N1	REAL300020165379	1	35	-1.0	-46.45	334.92	3.36	-43.09
CSCC[C@H](NC(=O)C(C)N1C=CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020165380	0	45	-1.0	-54.67	387.27	5.90	-48.77
CSCC[C@H](NC(=O)C(C)N1C=CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020165380	1	45	-1.0	-54.72	387.32	5.92	-48.80
CSCC[C@H](NC(=O)C1=CN(C)C2=C(C=NN2C)C1=O)C1=N[N-]N=N1	REAL300020165381	0	42	-1.0	-56.35	363.65	4.08	-52.27
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020165382	0	39	-1.0	-63.04	353.98	5.23	-57.81
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020165382	1	39	-1.0	-63.02	354.04	5.24	-57.78
CSCC[C@H](NC(=O)C1=CN(C)C2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL300020165383	0	40	-1.0	-56.87	358.61	5.83	-51.04
CSCC[C@H](NC(=O)C1=CN(C)C2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL300020165383	1	40	-1.0	-56.87	358.67	5.84	-51.03
CSCC[C@H](NC(=O)C1=CN(CCCC#N)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020165384	0	47	-1.0	-64.98	416.56	7.94	-57.04
CSCC[C@H](NC(=O)C1=CN(CCCC#N)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020165384	1	47	-1.0	-64.98	416.62	7.95	-57.03
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2N=C1C)C1=N[N-]N=N1	REAL300020165385	0	44	-1.0	-49.40	378.29	5.25	-44.15
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2N=C1C)C1=NN=N[N-]1	REAL300020165385	1	44	-1.0	-49.39	378.35	5.26	-44.13
CSCC[C@H](NC(=O)C1=CC=CC(CO)=C1)C1=N[N-]N=N1	REAL300020165386	0	37	-1.0	-50.39	330.35	1.40	-48.99
CSCC[C@H](NC(=O)C1=CC=CC(CO)=C1)C1=NN=N[N-]1	REAL300020165386	1	37	-1.0	-50.35	330.40	1.41	-48.94
CSCC[C@H](NC(=O)C(C)(C)C1CCOCC1)C1=N[N-]N=N1	REAL300020165387	0	46	-1.0	-45.64	359.91	3.44	-42.20
CSCC[C@H](NC(=O)C(C)(C)C1CCOCC1)C1=NN=N[N-]1	REAL300020165387	1	46	-1.0	-45.64	359.96	3.46	-42.18
CSCC[C@H](NC(=O)C1CC(C2=C(F)C=CC=C2F)=NO1)C1=N[N-]N=N1	REAL300020165388	0	41	-1.0	-54.77	379.55	5.46	-49.31
CSCC[C@H](NC(=O)C1CC(C2=C(F)C=CC=C2F)=NO1)C1=NN=N[N-]1	REAL300020165388	1	41	-1.0	-54.75	379.61	5.48	-49.27
CSCC[C@H](NC(=O)C1=NC(C2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL300020165389	0	39	-1.0	-51.66	363.12	4.80	-46.86
CSCC[C@H](NC(=O)C1=NC(C2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL300020165389	1	39	-1.0	-51.66	363.07	4.78	-46.88
CCC1=CSC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020165390	0	38	-1.0	-50.58	349.89	3.22	-47.36
CCC1=CSC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020165390	1	38	-1.0	-50.61	349.95	3.24	-47.37
CSCC[C@H](NC(=O)CCC1=CN=CC=N1)C1=N[N-]N=N1	REAL300020165391	0	37	-1.0	-47.37	332.52	1.93	-45.44
CSCC[C@H](NC(=O)CCC1=CN=CC=N1)C1=NN=N[N-]1	REAL300020165391	1	37	-1.0	-47.40	332.58	1.94	-45.46
CSCC[C@H](NC(=O)C1CCC2=C(C1)N(C)N=C2)C1=N[N-]N=N1	REAL300020165392	0	43	-1.0	-46.74	362.65	4.12	-42.62
CSCC[C@H](NC(=O)C1CCC2=C(C1)N(C)N=C2)C1=NN=N[N-]1	REAL300020165392	1	43	-1.0	-46.76	362.71	4.13	-42.63
CSCC[C@H](NC(=O)CC1=CC=C(S(C)=O)C=C1)C1=N[N-]N=N1	REAL300020165393	0	41	-1.0	-61.51	374.37	3.36	-58.15
CSCC[C@H](NC(=O)CC1=CC=C(S(C)=O)C=C1)C1=NN=N[N-]1	REAL300020165393	1	41	-1.0	-61.49	374.43	3.37	-58.12
CCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL300020165394	0	39	-1.0	-52.49	358.51	3.71	-48.78
CCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL300020165394	1	39	-1.0	-52.43	358.45	3.70	-48.73
CSCC[C@H](NC(=O)[C@H]1C[C@@H]1C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020165395	0	40	-1.0	-45.40	356.49	6.18	-39.22
CSCC[C@H](NC(=O)[C@H]1C[C@@H]1C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020165395	1	40	-1.0	-45.38	356.55	6.19	-39.19
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=C(F)C=C2)N=N1)C1=N[N-]N=N1	REAL300020165396	0	45	-1.0	-47.95	402.26	4.82	-43.13
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=C(F)C=C2)N=N1)C1=NN=N[N-]1	REAL300020165396	1	45	-1.0	-47.91	402.32	4.84	-43.07
CSCC[C@H](NC(=O)C1=CC=CC2=C1NC1=CC=CC=C1C2=O)C1=NN=N[N-]1	REAL300020165397	0	45	-1.0	-46.92	390.10	6.45	-40.47
CSCC[C@H](NC(=O)C1=CC=CC2=C1NC1=CC=CC=C1C2=O)C1=N[N-]N=N1	REAL300020165397	1	45	-1.0	-46.86	390.04	6.43	-40.43
CSCC[C@H](NC(=O)C1=CC=CC(CN2C=CN=C2)=C1)C1=N[N-]N=N1	REAL300020165398	0	43	-1.0	-51.41	380.81	7.34	-44.07
CSCC[C@H](NC(=O)C1=CC=CC(CN2C=CN=C2)=C1)C1=NN=N[N-]1	REAL300020165398	1	43	-1.0	-51.39	380.87	7.35	-44.04
CSCC[C@H](NC(=O)C1=NC2=NC=CN=C2C=C1)C1=NN=N[N-]1	REAL300020165399	0	36	-1.0	-50.64	330.90	1.68	-48.96
CSCC[C@H](NC(=O)C1=NC2=NC=CN=C2C=C1)C1=N[N-]N=N1	REAL300020165399	1	36	-1.0	-50.64	330.85	1.67	-48.97
CSCC[C@H](NC(=O)C1=CC=C2OC(C)=NC2=C1)C1=N[N-]N=N1	REAL300020165400	0	38	-1.0	-50.74	341.10	1.75	-48.99
CSCC[C@H](NC(=O)C1=CC=C2OC(C)=NC2=C1)C1=NN=N[N-]1	REAL300020165400	1	38	-1.0	-50.78	341.16	1.77	-49.01
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2N=N1)C1=NN=N[N-]1	REAL300020165401	0	36	-1.0	-53.53	331.85	2.41	-51.12
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2N=N1)C1=N[N-]N=N1	REAL300020165401	1	36	-1.0	-53.58	331.79	2.39	-51.19
CSCC[C@H](NC(=O)C1=C2N=C(C)OC2=CC=C1)C1=N[N-]N=N1	REAL300020165402	0	38	-1.0	-57.44	340.72	1.96	-55.48
CSCC[C@H](NC(=O)C1=C2N=C(C)OC2=CC=C1)C1=NN=N[N-]1	REAL300020165402	1	38	-1.0	-57.44	340.78	1.98	-55.46
CSCC[C@H](NC(=O)C1=CC=C(C)C(CO)=C1)C1=N[N-]N=N1	REAL300020165403	0	40	-1.0	-52.53	346.46	2.16	-50.37
CSCC[C@H](NC(=O)C1=CC=C(C)C(CO)=C1)C1=NN=N[N-]1	REAL300020165403	1	40	-1.0	-52.58	346.52	2.17	-50.41
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165404	0	42	-1.0	-58.13	377.14	5.13	-53.00
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165404	1	42	-1.0	-58.17	377.20	5.14	-53.03
CSCC[C@H](NC(=O)C1=C2C(=CC=C1)N=CN2C)C1=NN=N[N-]1	REAL300020165405	0	39	-1.0	-47.00	340.95	5.19	-41.81
CSCC[C@H](NC(=O)C1=C2C(=CC=C1)N=CN2C)C1=N[N-]N=N1	REAL300020165405	1	39	-1.0	-46.99	340.89	5.18	-41.81
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NO1	REAL300020165406	0	35	-1.0	-42.99	333.29	2.17	-40.82
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NO1	REAL300020165406	1	35	-1.0	-42.99	333.23	2.16	-40.83
CSCC[C@H](NC(=O)C1=CN(C(C)C)C=N1)C1=NN=N[N-]1	REAL300020165407	0	39	-1.0	-49.58	344.54	4.62	-44.96
CSCC[C@H](NC(=O)C1=CN(C(C)C)C=N1)C1=N[N-]N=N1	REAL300020165407	1	39	-1.0	-49.55	344.48	4.60	-44.95
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C(F)C=C1N)C1=N[N-]N=N1	REAL300020165408	0	37	-1.0	-42.14	340.53	2.98	-39.16
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C(F)C=C1N)C1=NN=N[N-]1	REAL300020165408	1	37	-1.0	-42.10	340.59	3.00	-39.10
CSCC[C@H](NC(=O)C(C)C(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL300020165409	0	41	-1.0	-49.19	348.22	0.54	-48.65
CSCC[C@H](NC(=O)C(C)C(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL300020165409	1	41	-1.0	-49.16	348.28	0.55	-48.61
CCOC1=NC2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C2N1	REAL300020165410	0	43	-1.0	-51.13	377.80	1.49	-49.64
CCOC1=NC2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C2N1	REAL300020165410	1	43	-1.0	-51.15	377.86	1.51	-49.64
CSCC[C@H](NC(=O)CSCC(C)=O)C1=N[N-]N=N1	REAL300020165411	0	35	-1.0	-55.48	329.70	3.02	-52.46
CSCC[C@H](NC(=O)CSCC(C)=O)C1=NN=N[N-]1	REAL300020165411	1	35	-1.0	-55.49	329.76	3.03	-52.46
COC1=CC=CN=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165412	0	39	-1.0	-51.93	345.52	2.28	-49.65
COC1=CC=CN=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165412	1	39	-1.0	-51.92	345.57	2.30	-49.62
CSCC[C@H](NC(=O)C1=C(Br)OC=C1)C1=N[N-]N=N1	REAL300020165413	0	30	-1.0	-46.23	299.94	2.76	-43.47
CSCC[C@H](NC(=O)C1=C(Br)OC=C1)C1=NN=N[N-]1	REAL300020165413	1	30	-1.0	-46.26	300.00	2.78	-43.48
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300020165414	0	42	-1.0	-49.28	363.63	6.06	-43.22
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300020165414	1	42	-1.0	-49.28	363.69	6.08	-43.20
CSCC[C@H](NC(=O)C1=C(C)OCCS1)C1=N[N-]N=N1	REAL300020165415	0	36	-1.0	-46.82	323.04	2.95	-43.87
CSCC[C@H](NC(=O)C1=C(C)OCCS1)C1=NN=N[N-]1	REAL300020165415	1	36	-1.0	-46.84	323.10	2.97	-43.87
CSCC[C@H](NC(=O)C(=O)C1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL300020165416	0	36	-1.0	-42.65	328.86	1.09	-41.56
CSCC[C@H](NC(=O)C(=O)C1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL300020165416	1	36	-1.0	-42.67	328.92	1.11	-41.56
CSCC[C@H](NC(=O)C(=O)C1=CC=C([O-])C=C1)C1=N[N-]N=N1	REAL300020165416	1	35	-2.0	-89.11	325.29	1.87	-87.24
CSCC[C@H](NC(=O)C(=O)C1=CC=C([O-])C=C1)C1=NN=N[N-]1	REAL300020165416	1	35	-2.0	-89.12	325.35	1.88	-87.24
CSCC[C@H](NC(=O)C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020165417	0	44	-1.0	-57.73	395.01	7.44	-50.29
CSCC[C@H](NC(=O)C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020165417	1	44	-1.0	-57.75	394.95	7.42	-50.33
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC(C#N)=C2)=NO1)C1=NN=N[N-]1	REAL300020165418	0	40	-1.0	-45.37	377.14	5.47	-39.90
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC(C#N)=C2)=NO1)C1=N[N-]N=N1	REAL300020165418	1	40	-1.0	-45.36	377.08	5.45	-39.91
CSCC[C@H](NC(=O)C1=C(F)C=CC(C)=C1Br)C1=N[N-]N=N1	REAL300020165419	0	36	-1.0	-50.77	345.75	5.07	-45.70
CSCC[C@H](NC(=O)C1=C(F)C=CC(C)=C1Br)C1=NN=N[N-]1	REAL300020165419	1	36	-1.0	-50.75	345.81	5.09	-45.66
CSCC[C@H](NC(=O)C1CCCN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165420	0	45	-1.0	-44.63	369.31	4.14	-40.49
CSCC[C@H](NC(=O)C1CCCN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165420	1	45	-1.0	-44.65	369.37	4.16	-40.49
CSCC[C@H](NC(=O)C1=C(F)C=CC(Br)=C1F)C1=N[N-]N=N1	REAL300020165421	0	33	-1.0	-48.09	334.40	4.62	-43.47
CSCC[C@H](NC(=O)C1=C(F)C=CC(Br)=C1F)C1=NN=N[N-]1	REAL300020165421	1	33	-1.0	-48.08	334.45	4.64	-43.44
CSCC[C@H](NC(=O)CC1=CC=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL300020165422	0	47	-1.0	-51.70	399.98	5.87	-45.83
CSCC[C@H](NC(=O)CC1=CC=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL300020165422	1	47	-1.0	-51.73	400.04	5.89	-45.84
CSCC[C@H](NC(=O)C1=CC=C(C)C(Cl)=C1F)C1=N[N-]N=N1	REAL300020165423	0	36	-1.0	-50.86	336.94	5.23	-45.63
CSCC[C@H](NC(=O)C1=CC=C(C)C(Cl)=C1F)C1=NN=N[N-]1	REAL300020165423	1	36	-1.0	-50.88	337.00	5.25	-45.63
CSCC[C@H](NC(=O)C1CC2CCCC(C2)C1)C1=N[N-]N=N1	REAL300020165424	0	46	-1.0	-46.98	355.10	5.61	-41.37
CSCC[C@H](NC(=O)C1CC2CCCC(C2)C1)C1=NN=N[N-]1	REAL300020165424	1	46	-1.0	-46.99	355.15	5.63	-41.36
CSCC[C@H](NC(=O)CN1C=C(C2=CC=CC=C2)C(C)=N1)C1=N[N-]N=N1	REAL300020165425	0	46	-1.0	-51.83	401.74	6.32	-45.51
CSCC[C@H](NC(=O)CN1C=C(C2=CC=CC=C2)C(C)=N1)C1=NN=N[N-]1	REAL300020165425	1	46	-1.0	-51.84	401.79	6.33	-45.51
CSCC[C@H](NC(=O)C(C)OC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020165426	0	46	-1.0	-52.13	392.75	7.57	-44.56
CSCC[C@H](NC(=O)C(C)OC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020165426	1	46	-1.0	-52.10	392.80	7.58	-44.52
CSCC[C@H](NC(=O)C1=C(C(C)C)OC=C1)C1=N[N-]N=N1	REAL300020165427	0	39	-1.0	-46.45	340.68	4.26	-42.19
CSCC[C@H](NC(=O)C1=C(C(C)C)OC=C1)C1=NN=N[N-]1	REAL300020165427	1	39	-1.0	-46.45	340.74	4.28	-42.17
CCC1=CN=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165428	0	38	-1.0	-45.50	335.51	3.72	-41.78
CCC1=CN=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165428	1	38	-1.0	-45.43	335.45	3.71	-41.72
CSCC[C@H](NC(=O)C1=CNN=C1C1=COC=C1)C1=N[N-]N=N1	REAL300020165429	0	37	-1.0	-50.95	335.89	2.20	-48.75
CSCC[C@H](NC(=O)C1=CNN=C1C1=COC=C1)C1=NN=N[N-]1	REAL300020165429	1	37	-1.0	-50.98	335.95	2.22	-48.76
CSCC[C@H](NC(=O)C1=CC2=NC=CN=C2C=C1F)C1=NN=N[N-]1	REAL300020165430	0	37	-1.0	-51.12	338.13	2.63	-48.49
CSCC[C@H](NC(=O)C1=CC2=NC=CN=C2C=C1F)C1=N[N-]N=N1	REAL300020165430	1	37	-1.0	-51.09	338.07	2.61	-48.48
CSCC[C@H](NC(=O)C1(SC)CCC1)C1=N[N-]N=N1	REAL300020165431	0	37	-1.0	-42.86	330.16	4.10	-38.76
CSCC[C@H](NC(=O)C1(SC)CCC1)C1=NN=N[N-]1	REAL300020165431	1	37	-1.0	-42.85	330.22	4.12	-38.73
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)O1)C1=N[N-]N=N1	REAL300020165432	0	35	-1.0	-43.03	327.72	2.76	-40.27
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)O1)C1=NN=N[N-]1	REAL300020165432	1	35	-1.0	-43.04	327.78	2.78	-40.26
CSCC[C@H](NC(=O)C1=C(C)N(CC2CCCC2)N=N1)C1=N[N-]N=N1	REAL300020165433	0	48	-1.0	-47.17	394.24	4.13	-43.04
CSCC[C@H](NC(=O)C1=C(C)N(CC2CCCC2)N=N1)C1=NN=N[N-]1	REAL300020165433	1	48	-1.0	-47.19	394.30	4.15	-43.04
CSCC[C@H](NC(=O)C1=CC=C(OC2CCOC2)C=C1)C1=N[N-]N=N1	REAL300020165434	0	45	-1.0	-47.92	382.77	3.73	-44.19
CSCC[C@H](NC(=O)C1=CC=C(OC2CCOC2)C=C1)C1=NN=N[N-]1	REAL300020165434	1	45	-1.0	-47.93	382.82	3.75	-44.18
CSCC[C@H](NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020165435	0	55	-1.0	-47.47	437.55	5.11	-42.36
CSCC[C@H](NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020165435	1	55	-1.0	-47.47	437.61	5.12	-42.35
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300020165436	0	40	-1.0	-49.84	384.69	5.19	-44.65
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300020165436	1	40	-1.0	-49.83	384.63	5.17	-44.66
CSCC[C@H](NC(=O)C1CC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020165437	0	39	-1.0	-50.26	346.98	4.88	-45.38
CSCC[C@H](NC(=O)C1CC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020165437	1	39	-1.0	-50.23	347.03	4.90	-45.33
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC(F)F)=C1	REAL300020165438	0	41	-1.0	-50.57	363.99	4.22	-46.35
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC(F)F)=C1	REAL300020165438	1	41	-1.0	-50.58	364.04	4.24	-46.34
CSCC[C@H](NC(=O)C1(NC(=O)NC(C)C)CCCCC1)C1=N[N-]N=N1	REAL300020165439	0	54	-1.0	-51.44	430.57	3.43	-48.01
CSCC[C@H](NC(=O)C1(NC(=O)NC(C)C)CCCCC1)C1=NN=N[N-]1	REAL300020165439	1	54	-1.0	-51.45	430.63	3.45	-48.00
CSCC[C@H](NC(=O)CCC(O)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020165440	0	55	-1.0	-46.60	448.55	5.54	-41.06
CSCC[C@H](NC(=O)CCC(O)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020165440	1	55	-1.0	-46.59	448.61	5.55	-41.04
CSCC[C@H](NC(=O)C1=CC=C(N2C=CN=C2)C=N1)C1=N[N-]N=N1	REAL300020165441	0	39	-1.0	-47.56	350.81	4.77	-42.79
CSCC[C@H](NC(=O)C1=CC=C(N2C=CN=C2)C=N1)C1=NN=N[N-]1	REAL300020165441	1	39	-1.0	-47.51	350.87	4.79	-42.72
CSCC[C@H](NC(=O)CN1C=CC(C)=CC1=O)C1=N[N-]N=N1	REAL300020165442	0	39	-1.0	-63.05	347.78	4.04	-59.01
CSCC[C@H](NC(=O)CN1C=CC(C)=CC1=O)C1=NN=N[N-]1	REAL300020165442	1	39	-1.0	-63.03	347.84	4.05	-58.98
CSCC[C@H](NC(=O)C1CCC[N@@H+]1C1CC1)C1=NN=N[N-]1	REAL300020165443	0	43	0.0	-51.66	355.25	5.04	-46.62
CSCC[C@H](NC(=O)C1CCC[N@H+]1C1CC1)C1=NN=N[N-]1	REAL300020165443	1	43	0.0	-52.07	344.38	4.07	-48.00
CSCC[C@H](NC(=O)C1CCCN1C1CC1)C1=N[N-]N=N1	REAL300020165443	1	42	-1.0	-45.77	346.51	2.11	-43.66
CSCC[C@H](NC(=O)C1CCCN1C1CC1)C1=NN=N[N-]1	REAL300020165443	1	42	-1.0	-45.80	346.55	2.13	-43.67
CSCC[C@H](NC(=O)CC1=C(C)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020165444	0	39	-1.0	-48.60	353.29	5.68	-42.92
CSCC[C@H](NC(=O)CC1=C(C)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020165444	1	39	-1.0	-48.57	353.35	5.69	-42.88
CSCC[C@H](NC(=O)CC1=NC=CC=C1F)C1=N[N-]N=N1	REAL300020165445	0	35	-1.0	-49.90	322.48	2.92	-46.98
CSCC[C@H](NC(=O)CC1=NC=CC=C1F)C1=NN=N[N-]1	REAL300020165445	1	35	-1.0	-49.90	322.53	2.94	-46.96
CSCC[C@H](NC(=O)C(C1=CN=CN1C)N(C)C)C1=N[N-]N=N1	REAL300020165446	0	44	-1.0	-46.78	366.48	2.14	-44.64
CSCC[C@H](NC(=O)C(C1=CN=CN1C)N(C)C)C1=NN=N[N-]1	REAL300020165446	1	44	-1.0	-46.79	366.54	2.15	-44.64
CCNC1=CC=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165447	0	41	-1.0	-43.67	365.43	4.60	-39.07
CCNC1=CC=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165447	1	41	-1.0	-43.69	365.49	4.62	-39.07
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL300020165448	0	40	-1.0	-53.41	360.23	5.62	-47.79
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL300020165448	1	40	-1.0	-53.40	360.17	5.60	-47.80
CSCC[C@H](NC(=O)C1(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300020165449	0	36	-1.0	-45.36	333.01	-0.18	-45.54
CSCC[C@H](NC(=O)C1(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300020165449	1	36	-1.0	-45.39	333.07	-0.17	-45.56
CSCC[C@H](NC(=O)C1CCC(=O)C2=CC=CN21)C1=N[N-]N=N1	REAL300020165450	0	40	-1.0	-43.15	340.58	4.43	-38.72
CSCC[C@H](NC(=O)C1CCC(=O)C2=CC=CN21)C1=NN=N[N-]1	REAL300020165450	1	40	-1.0	-43.13	340.63	4.45	-38.68
CSCC[C@H](NC(=O)C1=CC=CC2=C1OCC2(C)C)C1=N[N-]N=N1	REAL300020165451	0	44	-1.0	-53.86	373.38	5.97	-47.89
CSCC[C@H](NC(=O)C1=CC=CC2=C1OCC2(C)C)C1=NN=N[N-]1	REAL300020165451	1	44	-1.0	-53.90	373.44	5.99	-47.91
CSCC[C@H](NC(=O)CC1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020165452	0	36	-1.0	-44.67	351.26	5.63	-39.04
CSCC[C@H](NC(=O)CC1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300020165452	1	36	-1.0	-44.64	351.31	5.64	-39.00
CSCC[C@H](NC(=O)C1=C(C(C)C)N(C2=CC=CC=C2C)N=C1)C1=N[N-]N=N1	REAL300020165453	0	52	-1.0	-46.53	424.94	7.76	-38.77
CSCC[C@H](NC(=O)C1=C(C(C)C)N(C2=CC=CC=C2C)N=C1)C1=NN=N[N-]1	REAL300020165453	1	52	-1.0	-46.55	424.99	7.77	-38.78
CSCC[C@H](NC(=O)C1=CC(C2CC2)=CN=C1Cl)C1=NN=N[N-]1	REAL300020165454	0	39	-1.0	-46.77	354.53	4.84	-41.93
CSCC[C@H](NC(=O)C1=CC(C2CC2)=CN=C1Cl)C1=N[N-]N=N1	REAL300020165454	1	39	-1.0	-46.79	354.48	4.82	-41.97
CSCC[C@H](NC(=O)CCC1=CNC(=O)C=C1)C1=N[N-]N=N1	REAL300020165455	0	39	-1.0	-51.62	348.16	2.45	-49.17
CSCC[C@H](NC(=O)CCC1=CNC(=O)C=C1)C1=NN=N[N-]1	REAL300020165455	1	39	-1.0	-51.62	348.22	2.47	-49.15
CSCC[C@H](NC(=O)CC1=C(C)N=C(SC(F)F)S1)C1=N[N-]N=N1	REAL300020165456	0	39	-1.0	-50.68	381.24	4.27	-46.41
CSCC[C@H](NC(=O)CC1=C(C)N=C(SC(F)F)S1)C1=NN=N[N-]1	REAL300020165456	1	39	-1.0	-50.70	381.30	4.29	-46.41
CSCC[C@H](NC(=O)CCC1=CC=CC=C1C(N)=O)C1=N[N-]N=N1	REAL300020165457	0	43	-1.0	-57.32	369.55	2.31	-55.01
CSCC[C@H](NC(=O)CCC1=CC=CC=C1C(N)=O)C1=NN=N[N-]1	REAL300020165457	1	43	-1.0	-57.32	369.60	2.33	-54.99
CSCC[C@H](NC(=O)C1(C2CCCCC2)CCCCC1)C1=N[N-]N=N1	REAL300020165458	0	55	-1.0	-47.07	400.35	7.90	-39.17
CSCC[C@H](NC(=O)C1(C2CCCCC2)CCCCC1)C1=NN=N[N-]1	REAL300020165458	1	55	-1.0	-47.07	400.41	7.91	-39.16
CSCC[C@H](NC(=O)CN1C=CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020165459	0	42	-1.0	-62.34	372.67	5.66	-56.68
CSCC[C@H](NC(=O)CN1C=CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020165459	1	42	-1.0	-62.36	372.73	5.68	-56.68
CSCC[C@H](NC(=O)COC1CCC(C)CC1)C1=N[N-]N=N1	REAL300020165460	0	46	-1.0	-49.84	377.39	5.45	-44.39
CSCC[C@H](NC(=O)COC1CCC(C)CC1)C1=NN=N[N-]1	REAL300020165460	1	46	-1.0	-49.84	377.45	5.47	-44.37
CSCC[C@H](NC(=O)CC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL300020165461	0	40	-1.0	-53.93	356.70	1.54	-52.39
CSCC[C@H](NC(=O)CC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL300020165461	1	40	-1.0	-53.95	356.76	1.56	-52.39
CSCC[C@H](NC(=O)CC1CC(C)C2=C(C)C=CC=C21)C1=N[N-]N=N1	REAL300020165462	0	49	-1.0	-46.15	398.62	7.59	-38.56
CSCC[C@H](NC(=O)CC1CC(C)C2=C(C)C=CC=C21)C1=NN=N[N-]1	REAL300020165462	1	49	-1.0	-46.13	398.68	7.61	-38.52
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL300020165463	0	44	-1.0	-55.89	384.85	6.73	-49.16
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL300020165463	1	44	-1.0	-55.87	384.80	6.72	-49.15
CSCC[C@H](NC(=O)CCOCC(F)F)C1=N[N-]N=N1	REAL300020165464	0	36	-1.0	-46.57	330.69	2.13	-44.44
CSCC[C@H](NC(=O)CCOCC(F)F)C1=NN=N[N-]1	REAL300020165464	1	36	-1.0	-46.57	330.74	2.15	-44.42
CSCC[C@H](NC(=O)CCOCC(F)(F)C(F)F)C1=N[N-]N=N1	REAL300020165465	0	39	-1.0	-46.97	361.84	3.30	-43.67
CSCC[C@H](NC(=O)CCOCC(F)(F)C(F)F)C1=NN=N[N-]1	REAL300020165465	1	39	-1.0	-46.95	361.89	3.31	-43.64
CSCC[C@H](NC(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020165466	0	38	-1.0	-52.03	345.57	5.36	-46.67
CSCC[C@H](NC(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020165466	1	38	-1.0	-52.03	345.63	5.38	-46.65
CSCC[C@H](NC(=O)C(C)(C)N1CCOCC1)C1=N[N-]N=N1	REAL300020165467	0	45	-1.0	-44.93	355.54	1.08	-43.85
CSCC[C@H](NC(=O)C(C)(C)N1CCOCC1)C1=NN=N[N-]1	REAL300020165467	1	45	-1.0	-44.95	355.59	1.09	-43.86
CSCC[C@H](NC(=O)C(C)(C)C1CCC(O)CC1)C1=N[N-]N=N1	REAL300020165468	0	49	-1.0	-46.11	377.95	2.64	-43.47
CSCC[C@H](NC(=O)C(C)(C)C1CCC(O)CC1)C1=NN=N[N-]1	REAL300020165468	1	49	-1.0	-46.11	378.01	2.66	-43.45
CSCC[C@H](NC(=O)C1CCCC2=C(O)C=CC=C21)C1=N[N-]N=N1	REAL300020165469	0	44	-1.0	-46.77	367.93	3.82	-42.95
CSCC[C@H](NC(=O)C1CCCC2=C(O)C=CC=C21)C1=NN=N[N-]1	REAL300020165469	1	44	-1.0	-46.81	367.99	3.83	-42.98
COCCOC1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020165470	0	50	-1.0	-57.83	404.71	3.41	-54.42
COCCOC1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020165470	1	50	-1.0	-57.85	404.77	3.43	-54.42
COC1=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NC2=C(F)C=C1	REAL300020165471	0	41	-1.0	-47.19	367.28	3.38	-43.81
COC1=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NC2=C(F)C=C1	REAL300020165471	1	41	-1.0	-47.18	367.34	3.40	-43.78
CSCC[C@H](NC(=O)C(F)CC1CCCCC1)C1=N[N-]N=N1	REAL300020165472	0	45	-1.0	-42.84	368.49	5.71	-37.13
CSCC[C@H](NC(=O)C(F)CC1CCCCC1)C1=NN=N[N-]1	REAL300020165472	1	45	-1.0	-42.85	368.55	5.73	-37.12
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020165473	0	45	-1.0	-48.99	390.15	6.52	-42.47
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020165473	1	45	-1.0	-49.01	390.22	6.52	-42.49
CSCC[C@H](NC(=O)CC1=NC(C(C)C)=C(C)S1)C1=N[N-]N=N1	REAL300020165474	0	44	-1.0	-51.16	389.53	4.50	-46.66
CSCC[C@H](NC(=O)CC1=NC(C(C)C)=C(C)S1)C1=NN=N[N-]1	REAL300020165474	1	44	-1.0	-51.16	389.58	4.51	-46.65
CSCC[C@H](NC(=O)C1=CN=C2NC=C(Br)C=C12)C1=N[N-]N=N1	REAL300020165475	0	36	-1.0	-57.42	343.82	4.03	-53.39
CSCC[C@H](NC(=O)C1=CN=C2NC=C(Br)C=C12)C1=NN=N[N-]1	REAL300020165475	1	36	-1.0	-57.40	343.88	4.05	-53.35
CSCC[C@H](NC(=O)CC1=CC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL300020165476	0	39	-1.0	-54.52	348.41	3.48	-51.04
CSCC[C@H](NC(=O)CC1=CC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL300020165476	1	39	-1.0	-54.54	348.47	3.50	-51.04
CSCC[C@H](NC(=O)C1N(C(=O)OC(C)(C)C)CC1(C)C)C1=N[N-]N=N1	REAL300020165477	0	53	-1.0	-56.82	432.60	4.99	-51.83
CSCC[C@H](NC(=O)C1N(C(=O)OC(C)(C)C)CC1(C)C)C1=NN=N[N-]1	REAL300020165477	1	53	-1.0	-56.82	432.66	5.00	-51.82
CSCC[C@H](NC(=O)CC1CCC(=O)C1C)C1=N[N-]N=N1	REAL300020165478	0	41	-1.0	-45.47	348.98	4.11	-41.36
CSCC[C@H](NC(=O)CC1CCC(=O)C1C)C1=NN=N[N-]1	REAL300020165478	1	41	-1.0	-45.48	349.03	4.12	-41.36
CSCC[C@H](NC(=O)C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)C1=NN=N[N-]1	REAL300020165479	0	45	-1.0	-48.92	400.21	4.91	-44.01
CSCC[C@H](NC(=O)C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)C1=N[N-]N=N1	REAL300020165479	1	45	-1.0	-48.95	400.15	4.89	-44.06
COC1CCCC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020165480	0	46	-1.0	-45.36	374.45	4.04	-41.32
COC1CCCC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020165480	1	46	-1.0	-45.28	374.50	4.05	-41.23
CSCC[C@H](NC(=O)C1CC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300020165481	0	37	-1.0	-47.53	333.63	5.38	-42.15
CSCC[C@H](NC(=O)C1CC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300020165481	1	37	-1.0	-47.55	333.68	5.40	-42.15
CSCC[C@H](NC(=O)CN1C(C)=NC2=CC(F)=C(F)C=C21)C1=N[N-]N=N1	REAL300020165482	0	42	-1.0	-52.47	382.05	5.70	-46.77
CSCC[C@H](NC(=O)CN1C(C)=NC2=CC(F)=C(F)C=C21)C1=NN=N[N-]1	REAL300020165482	1	42	-1.0	-52.49	382.11	5.72	-46.77
CSCC[C@H](NC(=O)C1=CC=C2N=C(C)N(C)C2=C1)C1=N[N-]N=N1	REAL300020165483	0	42	-1.0	-50.31	365.23	5.21	-45.10
CSCC[C@H](NC(=O)C1=CC=C2N=C(C)N(C)C2=C1)C1=NN=N[N-]1	REAL300020165483	1	42	-1.0	-50.31	365.29	5.22	-45.09
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C#N)C=C1)C1=N[N-]N=N1	REAL300020165484	0	43	-1.0	-51.70	374.11	6.02	-45.68
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C#N)C=C1)C1=NN=N[N-]1	REAL300020165484	1	43	-1.0	-51.71	374.17	6.04	-45.67
CSCC[C@H](NC(=O)CC(C)(C)C1CCCCC1)C1=N[N-]N=N1	REAL300020165485	0	51	-1.0	-43.98	384.74	6.38	-37.60
CSCC[C@H](NC(=O)CC(C)(C)C1CCCCC1)C1=NN=N[N-]1	REAL300020165485	1	51	-1.0	-43.97	384.80	6.40	-37.57
CSCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300020165486	0	52	0.0	-72.40	417.43	7.84	-64.56
CSCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300020165486	1	52	0.0	-72.43	417.49	7.86	-64.57
CSCC[C@H](NC(=O)C1CC12CN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300020165487	0	51	-1.0	-59.05	425.24	4.72	-54.33
CSCC[C@H](NC(=O)C1CC12CN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300020165487	1	51	-1.0	-59.05	425.30	4.73	-54.32
CSCC[C@H](NC(=O)C1=CC2=C(S1)N(C)N=C2C(F)F)C1=N[N-]N=N1	REAL300020165488	0	39	-1.0	-47.11	373.66	4.01	-43.10
CSCC[C@H](NC(=O)[C@H](C)OC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020165489	0	46	-1.0	-51.91	393.70	7.54	-44.37
CSCC[C@H](NC(=O)[C@H](C)OC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020165489	1	46	-1.0	-51.91	393.75	7.56	-44.35
CSCC[C@H](NC(=O)C(C)(O)CN1C(=O)C=CC=C1C)C1=N[N-]N=N1	REAL300020165490	0	46	-1.0	-56.88	380.17	1.91	-54.97
CSCC[C@H](NC(=O)C(C)(O)CN1C(=O)C=CC=C1C)C1=NN=N[N-]1	REAL300020165490	1	46	-1.0	-56.85	380.23	1.93	-54.92
CSCC[C@H](NC(=O)C1=C2C=CN(CC(C)C)C2=CC=C1)C1=N[N-]N=N1	REAL300020165491	0	49	-1.0	-52.71	404.36	7.74	-44.97
CSCC[C@H](NC(=O)C1=C2C=CN(CC(C)C)C2=CC=C1)C1=NN=N[N-]1	REAL300020165491	1	49	-1.0	-52.73	404.42	7.75	-44.98
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL300020165492	0	38	-1.0	-46.48	347.85	5.42	-41.06
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL300020165492	1	38	-1.0	-46.49	347.91	5.43	-41.06
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)SC=N1)C1=NN=N[N-]1	REAL300020165493	0	32	-1.0	-49.25	318.63	2.33	-46.92
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)SC=N1)C1=N[N-]N=N1	REAL300020165493	1	32	-1.0	-49.26	318.57	2.31	-46.95
CSCC[C@H](NC(=O)C1=CC=C2C=CCCC2=C1)C1=N[N-]N=N1	REAL300020165494	0	41	-1.0	-47.54	352.65	6.46	-41.08
CSCC[C@H](NC(=O)C1=CC=C2C=CCCC2=C1)C1=NN=N[N-]1	REAL300020165494	1	41	-1.0	-47.56	352.70	6.48	-41.08
CSCC[C@H](NC(=O)C1=C(N2C=CN=C2C)N(C)N=C1C)C1=N[N-]N=N1	REAL300020165495	0	46	-1.0	-50.60	408.53	5.64	-44.96
CSCC[C@H](NC(=O)C1=C(N2C=CN=C2C)N(C)N=C1C)C1=NN=N[N-]1	REAL300020165495	1	46	-1.0	-50.59	408.59	5.65	-44.94
CSCC[C@H](NC(=O)C1=CC=CC=C1CC(C)C)C1=N[N-]N=N1	REAL300020165496	0	45	-1.0	-47.20	371.13	6.70	-40.50
CSCC[C@H](NC(=O)C1=CC=CC=C1CC(C)C)C1=NN=N[N-]1	REAL300020165496	1	45	-1.0	-47.20	371.19	6.72	-40.48
CSCC[C@H](NC(=O)C(C#N)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020165497	0	41	-1.0	-50.86	382.15	6.07	-44.79
CSCC[C@H](NC(=O)C(C#N)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020165497	1	41	-1.0	-50.82	382.21	6.08	-44.74
CSCC[C@H](NC(=O)C1=NN(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300020165498	0	46	-1.0	-48.40	384.85	5.13	-43.27
CSCC[C@H](NC(=O)C1=NN(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300020165498	1	46	-1.0	-48.42	384.80	5.11	-43.31
COC1=CC=CC(C2=NOC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C2)=C1	REAL300020165499	0	45	-1.0	-53.44	395.07	4.70	-48.74
COC1=CC=CC(C2=NOC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C2)=C1	REAL300020165499	1	45	-1.0	-53.42	395.13	4.72	-48.70
CSCC[C@H](NC(=O)CCSCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165500	0	43	-1.0	-44.88	388.25	6.93	-37.95
CSCC[C@H](NC(=O)CCSCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165500	1	43	-1.0	-44.89	388.31	6.95	-37.94
CSCC[C@H](NC(=O)C1=C(F)C=CC(O)=C1F)C1=N[N-]N=N1	REAL300020165501	0	34	-1.0	-52.18	324.64	1.18	-51.00
CSCC[C@H](NC(=O)C1=C(F)C=CC(O)=C1F)C1=NN=N[N-]1	REAL300020165501	1	34	-1.0	-52.17	324.70	1.20	-50.97
CSCC[C@H](NC(=O)C1=C(F)C=CC([O-])=C1F)C1=N[N-]N=N1	REAL300020165501	1	33	-2.0	-93.10	321.08	1.93	-91.17
CSCC[C@H](NC(=O)C1=C(F)C=CC([O-])=C1F)C1=NN=N[N-]1	REAL300020165501	1	33	-2.0	-93.11	321.13	1.94	-91.17
CSCC[C@H](NC(=O)C[C@@H]1CCCC[C@H]1O)C1=N[N-]N=N1	REAL300020165502	0	43	-1.0	-48.69	351.87	1.77	-46.92
CSCC[C@H](NC(=O)C[C@@H]1CCCC[C@H]1O)C1=NN=N[N-]1	REAL300020165502	1	43	-1.0	-48.71	351.93	1.78	-46.93
CSCC[C@H](NC(=O)C[C@H]1CCCC[C@@H]1O)C1=N[N-]N=N1	REAL300020165503	0	43	-1.0	-46.24	351.87	1.77	-44.47
CSCC[C@H](NC(=O)C[C@H]1CCCC[C@@H]1O)C1=NN=N[N-]1	REAL300020165503	1	43	-1.0	-46.22	351.93	1.78	-44.44
CSCC[C@H](NC(=O)C(F)=CC1CCCCC1)C1=N[N-]N=N1	REAL300020165504	0	43	-1.0	-41.57	363.42	5.73	-35.84
CSCC[C@H](NC(=O)C(F)=CC1CCCCC1)C1=NN=N[N-]1	REAL300020165504	1	43	-1.0	-41.58	363.48	5.74	-35.84
CSCC[C@H](NC(=O)CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020165505	0	38	-1.0	-44.10	365.43	5.66	-38.44
CSCC[C@H](NC(=O)CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020165505	1	38	-1.0	-44.12	365.49	5.68	-38.44
CSCC[C@H](NC(=O)C1=CC(C=O)=C(C)C=C1C)C1=N[N-]N=N1	REAL300020165506	0	41	-1.0	-45.46	352.79	5.19	-40.27
CSCC[C@H](NC(=O)C1=CC(C=O)=C(C)C=C1C)C1=NN=N[N-]1	REAL300020165506	1	41	-1.0	-45.48	352.84	5.21	-40.27
CSCC[C@H](NC(=O)C1=C(Br)C(C)=CS1)C1=N[N-]N=N1	REAL300020165507	0	33	-1.0	-45.94	326.76	4.32	-41.62
CSCC[C@H](NC(=O)C1=C(Br)C(C)=CS1)C1=NN=N[N-]1	REAL300020165507	1	33	-1.0	-45.97	326.82	4.33	-41.64
CCCOC1=NC(C)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165508	0	45	-1.0	-51.83	387.51	4.38	-47.45
CCCOC1=NC(C)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165508	1	45	-1.0	-51.84	387.56	4.40	-47.44
CCOC1=NC(C)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165509	0	42	-1.0	-51.76	366.01	3.58	-48.18
CCOC1=NC(C)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165509	1	42	-1.0	-51.79	366.06	3.60	-48.19
CSCC[C@H](NC(=O)C1=NC(Br)=CC=C1F)C1=NN=N[N-]1	REAL300020165510	0	32	-1.0	-47.79	320.82	2.95	-44.84
CSCC[C@H](NC(=O)C1=NC(Br)=CC=C1F)C1=N[N-]N=N1	REAL300020165510	1	32	-1.0	-47.77	320.76	2.94	-44.83
CSCC[C@H](NC(=O)C1=NC=CC=C1Br)C1=NN=N[N-]1	REAL300020165511	0	32	-1.0	-47.99	311.09	3.00	-44.99
CSCC[C@H](NC(=O)C1=NC=CC=C1Br)C1=N[N-]N=N1	REAL300020165511	1	32	-1.0	-48.02	311.04	2.99	-45.03
CSCC[C@H](NC(=O)C1=CC=C(C2=NOC(C(F)F)=N2)C=C1)C1=NN=N[N-]1	REAL300020165512	0	41	-1.0	-49.24	382.93	3.70	-45.54
CSCC[C@H](NC(=O)C1=CC=C(C2=NOC(C(F)F)=N2)C=C1)C1=N[N-]N=N1	REAL300020165512	1	41	-1.0	-49.24	382.88	3.68	-45.56
CSCC[C@H](NC(=O)C1CC(C(=O)OC(C)(C)C)=NO1)C1=N[N-]N=N1	REAL300020165513	0	46	-1.0	-48.78	397.44	4.42	-44.36
CSCC[C@H](NC(=O)C1CC(C(=O)OC(C)(C)C)=NO1)C1=NN=N[N-]1	REAL300020165513	1	46	-1.0	-48.78	397.50	4.43	-44.35
CSCC[C@H](NC(=O)CC1=CC=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL300020165514	0	39	-1.0	-50.37	354.34	5.62	-44.75
CSCC[C@H](NC(=O)CC1=CC=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL300020165514	1	39	-1.0	-50.36	354.40	5.64	-44.72
CSCC[C@H](NC(=O)C1CC(C2=CC=CN=C2)=NO1)C1=NN=N[N-]1	REAL300020165515	0	40	-1.0	-53.88	360.64	3.65	-50.23
CSCC[C@H](NC(=O)C1CC(C2=CC=CN=C2)=NO1)C1=N[N-]N=N1	REAL300020165515	1	40	-1.0	-53.86	360.59	3.64	-50.22
CSCC[C@H](NC(=O)C1=CN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300020165516	0	41	-1.0	-46.48	358.83	2.36	-44.12
CSCC[C@H](NC(=O)C1=CN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300020165516	1	41	-1.0	-46.45	358.77	2.35	-44.10
CSCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=N[N-]N=N1	REAL300020165517	0	49	0.0	-73.48	400.69	7.13	-66.35
CSCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=NN=N[N-]1	REAL300020165517	1	49	0.0	-73.44	400.75	7.15	-66.29
CSCC[C@H](NC(=O)C1=CC(Br)=NN1)C1=N[N-]N=N1	REAL300020165518	0	30	-1.0	-41.92	301.07	1.06	-40.86
CSCC[C@H](NC(=O)C1=CC(Br)=NN1)C1=NN=N[N-]1	REAL300020165518	1	30	-1.0	-41.95	301.13	1.07	-40.88
CSCC[C@H](NC(=O)C1CN(C(C)C)CCO1)C1=N[N-]N=N1	REAL300020165519	0	45	-1.0	-47.18	366.97	1.87	-45.31
CSCC[C@H](NC(=O)C1C[N@@H+](C(C)C)CCO1)C1=NN=N[N-]1	REAL300020165519	1	46	0.0	-68.57	369.73	4.14	-64.43
CSCC[C@H](NC(=O)C1C[N@H+](C(C)C)CCO1)C1=NN=N[N-]1	REAL300020165519	1	46	0.0	-62.36	369.71	4.13	-58.23
CSCC[C@H](NC(=O)C1CN(C(C)C)CCO1)C1=NN=N[N-]1	REAL300020165519	1	45	-1.0	-47.19	367.03	1.88	-45.31
CSCC[C@H](NC(=O)C1=CC(C)=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020165520	0	39	-1.0	-43.04	349.00	5.85	-37.19
CSCC[C@H](NC(=O)C1=CC(C)=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020165520	1	39	-1.0	-43.01	349.06	5.87	-37.14
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C2=CC=CC=C2)=NO1	REAL300020165521	0	45	-1.0	-48.15	398.96	6.54	-41.61
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C2=CC=CC=C2)=NO1	REAL300020165521	1	45	-1.0	-48.19	398.91	6.52	-41.67
CSCC[C@H](NC(=O)C1CCC(NC(=O)C2CC2)CC1)C1=N[N-]N=N1	REAL300020165522	0	50	-1.0	-55.79	414.07	4.24	-51.55
CSCC[C@H](NC(=O)C1CCC(NC(=O)C2CC2)CC1)C1=NN=N[N-]1	REAL300020165522	1	50	-1.0	-55.82	414.12	4.26	-51.56
CSCC[C@H](NC(=O)CCN(C)C(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165523	0	50	-1.0	-52.85	435.46	6.07	-46.78
CSCC[C@H](NC(=O)CCN(C)C(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165523	1	50	-1.0	-52.85	435.52	6.08	-46.77
CSCC[C@H](NC(=O)C1=C(C#N)N(C)N=C1)C1=NN=N[N-]1	REAL300020165524	0	34	-1.0	-49.02	320.99	1.95	-47.07
CSCC[C@H](NC(=O)C1=C(C#N)N(C)N=C1)C1=N[N-]N=N1	REAL300020165524	1	34	-1.0	-49.04	320.94	1.94	-47.10
CSCC[C@H](NC(=O)CC(CC#N)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165525	0	43	-1.0	-45.66	376.90	6.39	-39.27
CSCC[C@H](NC(=O)CC(CC#N)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165525	1	43	-1.0	-45.68	376.96	6.40	-39.28
CSCC[C@H](NC(=O)C1COC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL300020165526	0	38	-1.0	-48.49	352.66	4.29	-44.20
CSCC[C@H](NC(=O)C1COC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL300020165526	1	38	-1.0	-48.50	352.72	4.31	-44.19
CSCC[C@H](NC(=O)C=CC1=CN(C)C=C1)C1=N[N-]N=N1	REAL300020165527	0	38	-1.0	-49.82	340.81	5.01	-44.81
CSCC[C@H](NC(=O)C=CC1=CN(C)C=C1)C1=NN=N[N-]1	REAL300020165527	1	38	-1.0	-49.79	340.87	5.03	-44.76
COC1=CC(C)=CN=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165528	0	39	-1.0	-52.31	343.76	3.57	-48.74
COC1=CC(C)=CN=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165528	1	39	-1.0	-52.29	343.70	3.56	-48.73
CSCC[C@H](NC(=O)C1=CC=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165529	0	40	-1.0	-48.02	354.67	5.08	-42.94
CSCC[C@H](NC(=O)C1=CC=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165529	1	40	-1.0	-48.03	354.61	5.06	-42.97
CSCC[C@H](NC(=O)CCC(=O)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020165530	0	41	-1.0	-48.36	368.79	3.25	-45.11
CSCC[C@H](NC(=O)CCC(=O)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020165530	1	41	-1.0	-48.36	368.85	3.27	-45.09
CSCC[C@H](NC(=O)CC1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL300020165531	0	47	-1.0	-53.67	417.66	2.76	-50.91
CSCC[C@H](NC(=O)CC1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL300020165531	1	47	-1.0	-53.69	417.71	2.78	-50.91
CSCC[C@H](NC(=O)C1(S(C)(=O)=O)CCC1)C1=N[N-]N=N1	REAL300020165532	0	39	-1.0	-45.04	345.99	0.73	-44.31
CSCC[C@H](NC(=O)C1(S(C)(=O)=O)CCC1)C1=NN=N[N-]1	REAL300020165532	1	39	-1.0	-45.04	346.05	0.74	-44.30
CCC(C)C(OC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165533	0	42	-1.0	-46.95	347.33	3.77	-43.18
CCC(C)C(OC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165533	1	42	-1.0	-47.01	347.38	3.79	-43.22
CSCC[C@H](NC(=O)C1CCN(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL300020165534	0	41	-1.0	-44.95	355.34	1.75	-43.20
CSCC[C@H](NC(=O)C1CCN(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL300020165534	1	41	-1.0	-44.96	355.39	1.77	-43.19
CSCC[C@H](NC(=O)C1=CC=C(CO)C(F)=C1)C1=N[N-]N=N1	REAL300020165535	0	37	-1.0	-45.40	334.02	1.62	-43.78
CSCC[C@H](NC(=O)C1=CC=C(CO)C(F)=C1)C1=NN=N[N-]1	REAL300020165535	1	37	-1.0	-45.46	334.08	1.64	-43.82
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020165536	0	51	0.0	-70.82	412.09	7.35	-63.47
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020165536	1	51	0.0	-70.82	412.15	7.36	-63.46
CCSCC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165537	0	43	-1.0	-46.88	378.00	6.84	-40.04
CCSCC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165537	1	43	-1.0	-46.86	378.05	6.86	-40.00
CSCC[C@H](NC(=O)C1=CN=NN1C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020165538	0	39	-1.0	-43.69	343.72	3.90	-39.79
CSCC[C@H](NC(=O)C1=CN=NN1C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020165538	1	39	-1.0	-43.68	343.67	3.89	-39.79
CSCC[C@H](NC(=O)C(CCS(C)(=O)=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165539	0	48	-1.0	-52.04	423.32	3.46	-48.58
CSCC[C@H](NC(=O)C(CCS(C)(=O)=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165539	1	48	-1.0	-52.03	423.38	3.47	-48.56
CCCC(CCCS(C)(=O)=O)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165540	0	50	-1.0	-54.54	423.22	2.64	-51.90
CCCC(CCCS(C)(=O)=O)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165540	1	50	-1.0	-54.57	423.28	2.65	-51.92
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OCC(C)C)=C1	REAL300020165541	0	50	-1.0	-51.80	417.68	6.33	-45.47
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OCC(C)C)=C1	REAL300020165541	1	50	-1.0	-51.84	417.74	6.34	-45.50
CSCC[C@H](NC(=O)C1CC2=CC(Br)=CC=C2O1)C1=N[N-]N=N1	REAL300020165542	0	38	-1.0	-48.72	357.76	5.57	-43.15
CSCC[C@H](NC(=O)C1CC2=CC(Br)=CC=C2O1)C1=NN=N[N-]1	REAL300020165542	1	38	-1.0	-48.75	357.82	5.58	-43.17
CSCC[C@H](NC(=O)CCC1=CC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL300020165543	0	44	-1.0	-48.68	384.80	5.94	-42.74
CSCC[C@H](NC(=O)CCC1=CC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL300020165543	1	44	-1.0	-48.69	384.74	5.92	-42.77
CSCC[C@H](NC(=O)C1=NC=C(Cl)S1)C1=NN=N[N-]1	REAL300020165544	0	29	-1.0	-44.62	302.00	1.77	-42.85
CSCC[C@H](NC(=O)C1=NC=C(Cl)S1)C1=N[N-]N=N1	REAL300020165544	1	29	-1.0	-44.61	301.95	1.76	-42.85
CSCC[C@H](NC(=O)C1=CC=C(NC(C)=O)C(F)=C1)C1=N[N-]N=N1	REAL300020165545	0	40	-1.0	-49.25	359.11	3.10	-46.15
CSCC[C@H](NC(=O)C1=CC=C(NC(C)=O)C(F)=C1)C1=NN=N[N-]1	REAL300020165545	1	40	-1.0	-49.22	359.16	3.12	-46.10
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2Br)CC1)C1=N[N-]N=N1	REAL300020165546	0	40	-1.0	-50.56	368.34	6.34	-44.22
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2Br)CC1)C1=NN=N[N-]1	REAL300020165546	1	40	-1.0	-50.60	368.40	6.36	-44.24
CSCC[C@H](NC(=O)C(=O)C=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020165547	0	39	-1.0	-43.30	360.47	5.28	-38.02
CSCC[C@H](NC(=O)C(=O)C=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020165547	1	39	-1.0	-43.38	360.53	5.29	-38.09
CSCC[C@H](NC(=O)C(C#N)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165548	0	43	-1.0	-50.34	383.14	6.51	-43.83
CSCC[C@H](NC(=O)C(C#N)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165548	1	43	-1.0	-50.34	383.20	6.53	-43.81
CSCC[C@H](NC(=O)C(C)C(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020165549	0	52	-1.0	-48.87	418.04	2.92	-45.95
CSCC[C@H](NC(=O)C(C)C(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020165549	1	52	-1.0	-48.86	418.10	2.93	-45.93
CCN1N=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL300020165550	0	46	-1.0	-49.92	397.08	6.04	-43.88
CCN1N=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL300020165550	1	46	-1.0	-49.92	397.03	6.02	-43.90
CSCC[C@H](NC(=O)CCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020165551	0	44	-1.0	-44.36	372.52	4.60	-39.76
CSCC[C@H](NC(=O)CCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020165551	1	44	-1.0	-44.34	372.58	4.61	-39.73
CSCC[C@H](NC(=O)CCC(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020165552	0	52	-1.0	-46.64	429.92	3.42	-43.22
CSCC[C@H](NC(=O)CCC(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020165552	1	52	-1.0	-46.66	429.97	3.44	-43.22
CCCOC1=CC(OC)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165553	0	47	-1.0	-51.48	397.58	5.66	-45.82
CCCOC1=CC(OC)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165553	1	47	-1.0	-51.44	397.64	5.68	-45.76
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC(C)C)=C1	REAL300020165554	0	47	-1.0	-51.79	394.00	5.47	-46.32
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC(C)C)=C1	REAL300020165554	1	47	-1.0	-51.78	394.05	5.48	-46.30
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300020165555	0	42	-1.0	-52.33	372.52	6.18	-46.15
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300020165555	1	42	-1.0	-52.32	372.58	6.20	-46.12
CCOC(=O)C1(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCC1	REAL300020165556	0	45	-1.0	-54.67	380.82	5.20	-49.47
CCOC(=O)C1(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCC1	REAL300020165556	1	45	-1.0	-54.67	380.87	5.21	-49.46
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(C(C)C)N=C1)C1=NN=N[N-]1	REAL300020165557	0	49	-1.0	-48.13	414.49	6.67	-41.46
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(C(C)C)N=C1)C1=N[N-]N=N1	REAL300020165557	1	49	-1.0	-48.12	414.43	6.65	-41.47
CSCC[C@H](NC(=O)C1=NC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020165559	0	32	-1.0	-45.82	305.77	2.54	-43.28
CSCC[C@H](NC(=O)C1=NC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020165559	1	32	-1.0	-45.83	305.71	2.53	-43.30
CSCC[C@H](NC(=O)C1=CC=CC=C1C[NH+](C)C)C1=N[N-]N=N1	REAL300020165560	0	45	0.0	-43.43	368.56	6.21	-37.22
CSCC[C@H](NC(=O)C1=CC=CC=C1C[NH+](C)C)C1=NN=N[N-]1	REAL300020165560	1	45	0.0	-43.45	368.62	6.22	-37.23
CSCC[C@H](NC(=O)C1=CC(O)=CC=C1Cl)C1=N[N-]N=N1	REAL300020165561	0	34	-1.0	-47.11	321.07	1.74	-45.37
CSCC[C@H](NC(=O)C1=CC(O)=CC=C1Cl)C1=NN=N[N-]1	REAL300020165561	1	34	-1.0	-47.04	321.13	1.76	-45.28
COC(=CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165562	0	41	-1.0	-44.01	356.52	5.29	-38.72
COC(=CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165562	1	41	-1.0	-44.06	356.57	5.30	-38.76
CSCC[C@H](NC(=O)CNC1=CC=CC=C1C(N)=O)C1=N[N-]N=N1	REAL300020165563	0	42	-1.0	-56.09	364.27	0.23	-55.86
CSCC[C@H](NC(=O)CNC1=CC=CC=C1C(N)=O)C1=NN=N[N-]1	REAL300020165563	1	42	-1.0	-56.16	364.33	0.24	-55.92
CSCC[C@H](NC(=O)C1=C(C)SC(Br)=N1)C1=NN=N[N-]1	REAL300020165564	0	32	-1.0	-43.87	323.61	2.49	-41.38
CSCC[C@H](NC(=O)C1=C(C)SC(Br)=N1)C1=N[N-]N=N1	REAL300020165564	1	32	-1.0	-43.92	323.55	2.47	-41.45
CSCC[C@H](NC(=O)CC1=CN=CN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165565	0	46	-1.0	-53.39	396.20	7.39	-46.00
CSCC[C@H](NC(=O)CC1=CN=CN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165565	1	46	-1.0	-53.39	396.26	7.41	-45.98
COC1=CC([N+](=O)[O-])=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165566	0	39	-1.0	-46.94	353.01	5.30	-41.64
COC1=CC([N+](=O)[O-])=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165566	1	39	-1.0	-46.95	353.07	5.31	-41.64
CSCC[C@H](NC(=O)CN(C)C(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165567	0	47	-1.0	-48.95	414.43	5.74	-43.21
CSCC[C@H](NC(=O)CN(C)C(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165567	1	47	-1.0	-48.99	414.49	5.76	-43.23
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1C	REAL300020165568	0	42	-1.0	-42.76	372.33	4.77	-37.99
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1C	REAL300020165568	1	42	-1.0	-42.76	372.38	4.78	-37.98
COC1=CN=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020165569	0	35	-1.0	-43.03	321.85	-0.93	-43.96
COC1=CN=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020165569	1	35	-1.0	-43.01	321.79	-0.95	-43.96
CCOC1=NC=CC(C)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165570	0	42	-1.0	-48.03	369.62	2.18	-45.85
CCOC1=NC=CC(C)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165570	1	42	-1.0	-48.02	369.67	2.20	-45.82
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020165571	0	52	-1.0	-48.78	431.21	6.82	-41.96
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020165571	1	52	-1.0	-48.80	431.16	6.81	-41.99
CSCC[C@H](NC(=O)CC1=CC=CC(C)=C1Cl)C1=N[N-]N=N1	REAL300020165572	0	39	-1.0	-49.05	355.15	5.77	-43.28
CSCC[C@H](NC(=O)CC1=CC=CC(C)=C1Cl)C1=NN=N[N-]1	REAL300020165572	1	39	-1.0	-49.05	355.20	5.79	-43.26
CSCC[C@H](NC(=O)C(C)(O)CN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020165573	0	48	-1.0	-56.76	410.43	2.50	-54.26
CSCC[C@H](NC(=O)C(C)(O)CN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020165573	1	48	-1.0	-56.82	410.49	2.52	-54.30
CSCC[C@H](NC(=O)C1=CN=C2CCCCN12)C1=N[N-]N=N1	REAL300020165574	0	40	-1.0	-48.34	338.35	4.25	-44.09
CSCC[C@H](NC(=O)C1=CN=C2CCCCN12)C1=NN=N[N-]1	REAL300020165574	1	40	-1.0	-48.35	338.41	4.26	-44.09
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C1CCCC1	REAL300020165575	0	49	-1.0	-46.98	405.08	5.94	-41.04
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C1CCCC1	REAL300020165575	1	49	-1.0	-46.97	405.13	5.96	-41.01
CCCCS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020165576	0	48	-1.0	-49.94	422.64	4.09	-45.85
CCCCS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020165576	1	48	-1.0	-49.90	422.70	4.11	-45.79
CSCC[C@H](NC(=O)C1=CC=C(OCC(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300020165577	0	39	-1.0	-47.15	365.74	3.05	-44.10
CSCC[C@H](NC(=O)C1=CC=C(OCC(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300020165577	1	39	-1.0	-47.10	365.69	3.04	-44.06
CSCC[C@H](NC(=O)C1=C(Cl)OC=C1)C1=N[N-]N=N1	REAL300020165578	0	30	-1.0	-46.83	295.87	2.65	-44.18
CSCC[C@H](NC(=O)C1=C(Cl)OC=C1)C1=NN=N[N-]1	REAL300020165578	1	30	-1.0	-46.84	295.93	2.66	-44.18
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020165579	0	45	-1.0	-47.89	386.85	6.60	-41.29
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020165579	1	45	-1.0	-47.89	386.91	6.61	-41.28
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300020165580	0	36	-1.0	-47.94	331.46	5.26	-42.68
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300020165580	1	36	-1.0	-47.91	331.52	5.27	-42.64
CCN1N=NC2=C1CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C2	REAL300020165581	0	45	-1.0	-47.87	379.92	3.66	-44.21
CCN1N=NC2=C1CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C2	REAL300020165581	1	45	-1.0	-47.85	379.98	3.67	-44.18
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL300020165582	0	38	-1.0	-46.81	338.91	4.49	-42.32
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL300020165582	1	38	-1.0	-46.77	338.85	4.47	-42.30
CSCC[C@H](NC(=O)C1=C(C)N=C(Br)S1)C1=N[N-]N=N1	REAL300020165583	0	32	-1.0	-41.29	323.41	2.44	-38.85
CSCC[C@H](NC(=O)C1=C(C)N=C(Br)S1)C1=NN=N[N-]1	REAL300020165583	1	32	-1.0	-41.28	323.47	2.45	-38.83
CSCC[C@H](NC(=O)C1CCCS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020165584	0	39	-1.0	-50.31	341.82	0.43	-49.88
CSCC[C@H](NC(=O)C1CCCS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020165584	1	39	-1.0	-50.32	341.88	0.44	-49.88
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)OC=N1)C1=NN=N[N-]1	REAL300020165585	0	32	-1.0	-46.78	310.94	-0.04	-46.82
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)OC=N1)C1=N[N-]N=N1	REAL300020165585	1	32	-1.0	-46.78	310.88	-0.06	-46.84
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCCCC2=O)C1=N[N-]N=N1	REAL300020165586	0	45	-1.0	-47.87	380.53	6.26	-41.61
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCCCC2=O)C1=NN=N[N-]1	REAL300020165586	1	45	-1.0	-47.85	380.59	6.28	-41.57
CSCC[C@H](NC(=O)C(=O)C1=CC=CN1C)C1=N[N-]N=N1	REAL300020165588	0	36	-1.0	-45.67	322.31	3.38	-42.29
CSCC[C@H](NC(=O)C(=O)C1=CC=CN1C)C1=NN=N[N-]1	REAL300020165588	1	36	-1.0	-45.66	322.37	3.39	-42.27
CSCC[C@H](NC(=O)C1=CC=C2OC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020165589	0	36	-1.0	-46.59	329.29	1.59	-45.00
CSCC[C@H](NC(=O)C1=CC=C2OC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020165589	1	36	-1.0	-46.62	329.34	1.60	-45.02
CSCC[C@H](NC(=O)C1=C2CCCC2=CO1)C1=N[N-]N=N1	REAL300020165590	0	37	-1.0	-47.67	327.16	4.02	-43.65
CSCC[C@H](NC(=O)C1=C2CCCC2=CO1)C1=NN=N[N-]1	REAL300020165590	1	37	-1.0	-47.69	327.22	4.03	-43.66
CCOC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCC1	REAL300020165591	0	43	-1.0	-42.62	351.08	3.79	-38.83
CCOC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCC1	REAL300020165591	1	43	-1.0	-42.59	351.14	3.81	-38.78
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=NC=C2)N=N1)C1=N[N-]N=N1	REAL300020165592	0	44	-1.0	-49.74	387.51	2.88	-46.86
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=NC=C2)N=N1)C1=NN=N[N-]1	REAL300020165592	1	44	-1.0	-49.71	387.57	2.89	-46.82
CSCC[C@H](NC(=O)C1=CC(=O)C2=CC=C(F)C=C2O1)C1=N[N-]N=N1	REAL300020165593	0	38	-1.0	-43.31	353.85	4.39	-38.92
CSCC[C@H](NC(=O)C1=CC(=O)C2=CC=C(F)C=C2O1)C1=NN=N[N-]1	REAL300020165593	1	38	-1.0	-43.33	353.91	4.41	-38.92
COCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165594	0	50	-1.0	-45.67	419.25	0.91	-44.76
COCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165594	1	50	-1.0	-45.72	419.30	0.92	-44.80
CSCC[C@H](NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020165595	0	48	-1.0	-45.00	419.30	5.08	-39.92
CSCC[C@H](NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020165595	1	48	-1.0	-45.03	419.36	5.10	-39.93
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCOC1)C1=N[N-]N=N1	REAL300020165596	0	51	-1.0	-57.45	415.12	1.50	-55.95
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCOC1)C1=NN=N[N-]1	REAL300020165596	1	51	-1.0	-57.50	415.18	1.51	-55.99
CSCC[C@H](NC(=O)C1(C2=CC(F)=CC(C#N)=C2)CC1)C1=N[N-]N=N1	REAL300020165597	0	41	-1.0	-50.33	377.98	6.33	-44.00
CSCC[C@H](NC(=O)C1(C2=CC(F)=CC(C#N)=C2)CC1)C1=NN=N[N-]1	REAL300020165597	1	41	-1.0	-50.35	378.04	6.34	-44.01
CSCC[C@H](NC(=O)C(C)(C)C1=CC(F)=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020165598	0	43	-1.0	-45.65	380.40	6.13	-39.52
CSCC[C@H](NC(=O)C(C)(C)C1=CC(F)=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020165598	1	43	-1.0	-45.65	380.46	6.14	-39.51
CSCC[C@H](NC(=O)C1=C(CC(N)=O)OC=C1)C1=N[N-]N=N1	REAL300020165599	0	37	-1.0	-54.78	336.97	-0.30	-55.08
CSCC[C@H](NC(=O)C1=C(CC(N)=O)OC=C1)C1=NN=N[N-]1	REAL300020165599	1	37	-1.0	-54.77	337.03	-0.29	-55.06
CSCC[C@H](NC(=O)C(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020165600	0	49	-1.0	-50.91	406.14	2.33	-48.58
CSCC[C@H](NC(=O)C(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020165600	1	49	-1.0	-50.84	406.20	2.34	-48.50
CSCC[C@H](NC(=O)C(O)C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020165601	0	36	-1.0	-46.44	324.77	1.05	-45.39
CSCC[C@H](NC(=O)C(O)C1=CC=CN=C1)C1=N[N-]N=N1	REAL300020165601	1	36	-1.0	-46.41	324.72	1.04	-45.37
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL300020165602	0	42	-1.0	-51.15	370.81	5.01	-46.14
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL300020165602	1	42	-1.0	-51.16	370.87	5.02	-46.14
CSCC[C@H](NC(=O)C1=CN=C(Cl)C(Br)=C1)C1=NN=N[N-]1	REAL300020165603	0	32	-1.0	-41.34	328.85	3.31	-38.03
CSCC[C@H](NC(=O)C1=CN=C(Cl)C(Br)=C1)C1=N[N-]N=N1	REAL300020165603	1	32	-1.0	-41.33	328.79	3.30	-38.03
CSCC[C@H](NC(=O)C1=CC=C2OC(=O)NC2=N1)C1=N[N-]N=N1	REAL300020165604	0	35	-1.0	-44.08	326.41	0.91	-43.17
CSCC[C@H](NC(=O)C1=CC=C2OC(=O)NC2=N1)C1=NN=N[N-]1	REAL300020165604	1	35	-1.0	-44.10	326.47	0.92	-43.18
CSCC[C@H](NC(=O)C1=COC2=CC=C(C(C)C)C=C12)C1=N[N-]N=N1	REAL300020165605	0	45	-1.0	-51.54	386.38	6.33	-45.21
CSCC[C@H](NC(=O)C1=COC2=CC=C(C(C)C)C=C12)C1=NN=N[N-]1	REAL300020165605	1	45	-1.0	-51.51	386.44	6.34	-45.17
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165606	0	45	-1.0	-42.98	369.72	2.31	-40.67
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165606	1	45	-1.0	-42.95	369.78	2.32	-40.63
CSCC[C@H](NC(=O)C1=C2CCOCC2=CO1)C1=N[N-]N=N1	REAL300020165607	0	38	-1.0	-46.98	333.73	2.13	-44.85
CSCC[C@H](NC(=O)C1=C2CCOCC2=CO1)C1=NN=N[N-]1	REAL300020165607	1	38	-1.0	-47.00	333.79	2.15	-44.85
CSCC[C@H](NC(=O)COCC1=NC=C(C)O1)C1=N[N-]N=N1	REAL300020165608	0	39	-1.0	-55.73	354.04	0.68	-55.05
CSCC[C@H](NC(=O)COCC1=NC=C(C)O1)C1=NN=N[N-]1	REAL300020165608	1	39	-1.0	-55.73	354.10	0.70	-55.03
COCC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020165609	0	36	-1.0	-46.34	340.30	0.99	-45.35
COCC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020165609	1	36	-1.0	-46.34	340.35	1.01	-45.33
CSCC[C@H](NC(=O)C1=CC=NC(NC(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL300020165610	0	43	-1.0	-49.89	381.15	4.27	-45.62
CSCC[C@H](NC(=O)C1=CC=NC(NC(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL300020165610	1	43	-1.0	-49.82	381.10	4.26	-45.56
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL300020165611	0	33	-1.0	-41.90	330.07	4.26	-37.64
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL300020165611	1	33	-1.0	-41.90	330.13	4.27	-37.63
COC(=O)COCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165612	0	36	-1.0	-57.05	331.23	2.60	-54.45
COC(=O)COCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165612	1	36	-1.0	-57.06	331.28	2.61	-54.45
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020165613	0	47	-1.0	-58.95	409.57	6.10	-52.85
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020165613	1	47	-1.0	-58.91	409.62	6.12	-52.79
CSCC[C@H](NC(=O)C1=C(C)OC(C(C)C)=N1)C1=N[N-]N=N1	REAL300020165614	0	41	-1.0	-45.16	360.41	1.63	-43.53
CSCC[C@H](NC(=O)C1=C(C)OC(C(C)C)=N1)C1=NN=N[N-]1	REAL300020165614	1	41	-1.0	-45.16	360.47	1.65	-43.51
CSCC[C@H](NC(=O)CCCCC(C)(C)C)C1=N[N-]N=N1	REAL300020165615	0	47	-1.0	-45.33	381.87	5.79	-39.54
CSCC[C@H](NC(=O)CCCCC(C)(C)C)C1=NN=N[N-]1	REAL300020165615	1	47	-1.0	-45.31	381.93	5.81	-39.50
CSCC[C@H](NC(=O)COC1=CC=C(CO)C=C1)C1=N[N-]N=N1	REAL300020165616	0	41	-1.0	-51.49	363.89	1.97	-49.52
CSCC[C@H](NC(=O)COC1=CC=C(CO)C=C1)C1=NN=N[N-]1	REAL300020165616	1	41	-1.0	-51.52	363.94	1.98	-49.54
CSCC[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1=N[N-]N=N1	REAL300020165617	0	40	-1.0	-48.85	345.37	-4.15	-53.00
CSCC[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1=NN=N[N-]1	REAL300020165617	1	40	-1.0	-48.86	345.42	-4.13	-52.99
CSCC[C@H](NC(=O)C1=C(F)C=CN=C1F)C1=NN=N[N-]1	REAL300020165618	0	32	-1.0	-49.18	308.82	2.16	-47.02
CSCC[C@H](NC(=O)C1=C(F)C=CN=C1F)C1=N[N-]N=N1	REAL300020165618	1	32	-1.0	-49.18	308.76	2.15	-47.03
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)N=CS1)C1=NN=N[N-]1	REAL300020165619	0	32	-1.0	-49.17	318.81	2.34	-46.83
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)N=CS1)C1=N[N-]N=N1	REAL300020165619	1	32	-1.0	-49.12	318.75	2.33	-46.79
CSCC[C@H](NC(=O)CCCCCS(N)(=O)=O)C1=N[N-]N=N1	REAL300020165620	0	43	-1.0	-57.67	383.51	-0.90	-58.57
CSCC[C@H](NC(=O)CCCCCS(N)(=O)=O)C1=NN=N[N-]1	REAL300020165620	1	43	-1.0	-57.65	383.57	-0.88	-58.53
CSCC[C@H](NC(=O)C1CSC(C2=CC=CC=C2O)=N1)C1=N[N-]N=N1	REAL300020165621	0	42	-1.0	-48.85	382.60	1.67	-47.18
CSCC[C@H](NC(=O)C1CSC(C2=CC=CC=C2O)=N1)C1=NN=N[N-]1	REAL300020165621	1	42	-1.0	-48.87	382.66	1.69	-47.18
CSCC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1=N[N-]N=N1	REAL300020165622	0	42	-1.0	-44.25	369.97	-0.35	-44.60
CSCC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1=NN=N[N-]1	REAL300020165622	1	42	-1.0	-44.28	370.02	-0.34	-44.62
CSCC[C@H](NC(=O)CCCCCCS(N)(=O)=O)C1=N[N-]N=N1	REAL300020165623	0	46	-1.0	-55.10	404.86	-0.10	-55.20
CSCC[C@H](NC(=O)CCCCCCS(N)(=O)=O)C1=NN=N[N-]1	REAL300020165623	1	46	-1.0	-55.10	404.92	-0.08	-55.18
CCCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)S(N)(=O)=O	REAL300020165624	0	40	-1.0	-42.83	350.77	-1.54	-44.37
CCCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)S(N)(=O)=O	REAL300020165624	1	40	-1.0	-42.80	350.83	-1.53	-44.33
CSCC[C@H](NC(=O)C(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=N[N-]N=N1	REAL300020165625	0	41	-1.0	-53.24	378.67	-1.74	-54.98
CSCC[C@H](NC(=O)C(=O)C1=CC(S(N)(=O)=O)=CN1C)C1=NN=N[N-]1	REAL300020165625	1	41	-1.0	-53.31	378.73	-1.73	-55.04
CSCC[C@H](NC(=O)C1=CC=C2N=CN(C)C2=N1)C1=NN=N[N-]1	REAL300020165626	0	38	-1.0	-49.80	343.08	4.67	-45.13
CSCC[C@H](NC(=O)C1=CC=C2N=CN(C)C2=N1)C1=N[N-]N=N1	REAL300020165626	1	38	-1.0	-49.80	343.03	4.65	-45.15
CSCC[C@H](NC(=O)C1=CN2C=CC(Br)=CC2=N1)C1=NN=N[N-]1	REAL300020165627	0	36	-1.0	-47.99	349.36	5.18	-42.81
CSCC[C@H](NC(=O)C1=CN2C=CC(Br)=CC2=N1)C1=N[N-]N=N1	REAL300020165627	1	36	-1.0	-47.93	349.30	5.17	-42.76
CNS(=O)(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020165628	0	46	-1.0	-48.75	390.89	-0.79	-49.54
CNS(=O)(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020165628	1	46	-1.0	-48.74	390.95	-0.77	-49.51
CSCC[C@H](NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165629	0	52	0.0	-61.17	413.19	7.19	-53.98
CSCC[C@H](NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165629	1	52	0.0	-61.18	413.13	7.17	-54.01
CSCC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020165630	0	50	-1.0	-48.72	417.99	4.52	-44.20
CSCC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020165630	1	50	-1.0	-48.74	418.05	4.53	-44.21
CSCC[C@H](NC(=O)C1=NN2C=CC=NC2=C1)C1=NN=N[N-]1	REAL300020165631	0	35	-1.0	-53.60	323.72	2.89	-50.71
CSCC[C@H](NC(=O)C1=NN2C=CC=NC2=C1)C1=N[N-]N=N1	REAL300020165631	1	35	-1.0	-53.62	323.66	2.88	-50.74
CSCC[C@H](NC(=O)C1=CC2=CC=CC(C)=C2N=C1Cl)C1=NN=N[N-]1	REAL300020165632	0	41	-1.0	-49.85	371.59	5.77	-44.08
CSCC[C@H](NC(=O)C1=CC2=CC=CC(C)=C2N=C1Cl)C1=N[N-]N=N1	REAL300020165632	1	41	-1.0	-49.85	371.53	5.75	-44.10
CSCC[C@H](NC(=O)C1=CC=NC(S(C)(=O)=O)=N1)C1=NN=N[N-]1	REAL300020165633	0	37	-1.0	-49.56	352.73	-1.17	-50.73
CSCC[C@H](NC(=O)C1=CC=NC(S(C)(=O)=O)=N1)C1=N[N-]N=N1	REAL300020165633	1	37	-1.0	-49.57	352.67	-1.19	-50.76
CSCC[C@H](NC(=O)C1CCCN(CC(F)F)C1)C1=N[N-]N=N1	REAL300020165634	0	44	-1.0	-50.64	368.71	2.93	-47.71
CSCC[C@H](NC(=O)C1CCCN(CC(F)F)C1)C1=NN=N[N-]1	REAL300020165634	1	44	-1.0	-50.64	368.76	2.94	-47.70
CSCC[C@H](NC(=O)C1CCN(C2=CC=C(C#N)C=C2F)C1)C1=N[N-]N=N1	REAL300020165635	0	46	-1.0	-45.09	400.50	4.69	-40.40
CSCC[C@H](NC(=O)C1CCN(C2=CC=C(C#N)C=C2F)C1)C1=NN=N[N-]1	REAL300020165635	1	46	-1.0	-45.05	400.55	4.70	-40.35
CSCC[C@H](NC(=O)C1=CC=C(N)C(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020165636	0	39	-1.0	-49.70	357.32	1.88	-47.82
CSCC[C@H](NC(=O)C1=CC=C(N)C(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020165636	1	39	-1.0	-49.67	357.38	1.90	-47.77
CSCC[C@H](NC(=O)C1=CC2=C(C)C=CN=C2C=C1)C1=N[N-]N=N1	REAL300020165637	0	41	-1.0	-47.65	356.56	5.02	-42.63
CSCC[C@H](NC(=O)C1=CC2=C(C)C=CN=C2C=C1)C1=NN=N[N-]1	REAL300020165637	1	41	-1.0	-47.68	356.62	5.03	-42.65
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C(=O)N1C)C1=N[N-]N=N1	REAL300020165638	0	42	-1.0	-48.10	362.57	5.04	-43.06
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C(=O)N1C)C1=NN=N[N-]1	REAL300020165638	1	42	-1.0	-48.07	362.63	5.06	-43.01
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020165639	0	37	-1.0	-45.55	344.77	5.39	-40.16
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020165639	1	37	-1.0	-45.58	344.83	5.40	-40.18
CCC1=CC=CC=C1OCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165640	0	46	-1.0	-45.70	393.72	5.89	-39.81
CCC1=CC=CC=C1OCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165640	1	46	-1.0	-45.70	393.78	5.90	-39.80
CSCC[C@H](NC(=O)C(O)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020165641	0	40	-1.0	-43.50	369.00	3.80	-39.70
CSCC[C@H](NC(=O)C(O)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020165641	1	40	-1.0	-43.55	369.05	3.81	-39.74
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1OC	REAL300020165642	0	44	-1.0	-48.26	374.68	4.14	-44.12
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1OC	REAL300020165642	1	44	-1.0	-48.27	374.73	4.16	-44.11
CSCC[C@H](NC(=O)C1=CC(F)=C(C(F)(F)F)C=C1F)C1=N[N-]N=N1	REAL300020165643	0	36	-1.0	-43.50	346.31	5.22	-38.28
CSCC[C@H](NC(=O)C1=CC(F)=C(C(F)(F)F)C=C1F)C1=NN=N[N-]1	REAL300020165643	1	36	-1.0	-43.51	346.36	5.23	-38.28
COCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(=O)C=C1C	REAL300020165644	0	46	-1.0	-60.97	391.95	3.96	-57.01
COCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(=O)C=C1C	REAL300020165644	1	46	-1.0	-60.98	392.01	3.97	-57.01
CSCC[C@H](NC(=O)C1CCC2=CN=C(C)N2C1)C1=N[N-]N=N1	REAL300020165645	0	43	-1.0	-46.17	362.68	4.78	-41.39
CSCC[C@H](NC(=O)C1CCC2=CN=C(C)N2C1)C1=NN=N[N-]1	REAL300020165645	1	43	-1.0	-46.19	362.73	4.80	-41.39
CSCC[C@H](NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C1=N[N-]N=N1	REAL300020165645	1	44	0.0	-55.90	365.36	5.23	-50.67
CSCC[C@H](NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C1=NN=N[N-]1	REAL300020165645	1	44	0.0	-55.90	365.42	5.25	-50.65
CSCC[C@H](NC(=O)C1=CC=C(OC(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300020165646	0	36	-1.0	-42.99	340.81	2.12	-40.87
CSCC[C@H](NC(=O)C1=CC=C(OC(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300020165646	1	36	-1.0	-42.99	340.75	2.11	-40.88
CSCC[C@H](NC(=O)COCC1=NN=C(C)S1)C1=N[N-]N=N1	REAL300020165647	0	38	-1.0	-57.09	357.83	1.92	-55.17
CSCC[C@H](NC(=O)COCC1=NN=C(C)S1)C1=NN=N[N-]1	REAL300020165647	1	38	-1.0	-57.10	357.88	1.94	-55.16
COC1=CC=CC(C2(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CC2)=C1	REAL300020165648	0	44	-1.0	-49.03	378.14	5.08	-43.95
COC1=CC=CC(C2(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CC2)=C1	REAL300020165648	1	44	-1.0	-49.03	378.20	5.10	-43.93
CCC1=CC=C2OC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C2=C1	REAL300020165649	0	42	-1.0	-51.37	369.11	5.84	-45.53
CCC1=CC=C2OC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C2=C1	REAL300020165649	1	42	-1.0	-51.33	369.17	5.86	-45.47
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)C(O)=C1)C1=N[N-]N=N1	REAL300020165650	0	39	-1.0	-51.35	346.85	3.08	-48.27
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)C(O)=C1)C1=NN=N[N-]1	REAL300020165650	1	39	-1.0	-51.36	346.91	3.09	-48.27
CSCC[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020165651	0	55	0.0	-65.48	441.43	8.57	-56.91
CSCC[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020165651	1	55	0.0	-52.35	435.18	8.78	-43.57
CSCC[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020165651	1	55	0.0	-65.50	441.37	8.55	-56.95
CSCC[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020165651	1	55	0.0	-52.38	435.12	8.76	-43.62
CSCC[C@H](NC(=O)C1=COC(SC2=NC=CC=N2)=N1)C1=NN=N[N-]1	REAL300020165652	0	38	-1.0	-49.55	365.85	0.78	-48.77
CSCC[C@H](NC(=O)C1=COC(SC2=NC=CC=N2)=N1)C1=N[N-]N=N1	REAL300020165652	1	38	-1.0	-49.57	365.80	0.76	-48.81
COC(=O)CC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020165653	0	46	-1.0	-48.22	404.43	5.47	-42.75
COC(=O)CC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020165653	1	46	-1.0	-48.23	404.49	5.48	-42.75
CSCC[C@H](NC(=O)C1CCC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020165654	0	39	-1.0	-46.98	339.34	3.99	-42.99
CSCC[C@H](NC(=O)C1CCC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020165654	1	39	-1.0	-46.95	339.40	4.01	-42.94
CCN1CCC([NH+]2CCC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CC2)CC1	REAL300020165655	0	60	0.0	-64.03	451.49	5.32	-58.71
CCN1CCC([NH+]2CCC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CC2)CC1	REAL300020165655	1	60	0.0	-64.03	451.54	5.33	-58.70
CSCC[C@H](NC(=O)C(C)CN1C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020165656	0	46	-1.0	-44.13	386.97	7.02	-37.11
CSCC[C@H](NC(=O)C(C)CN1C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020165656	1	46	-1.0	-44.10	387.03	7.04	-37.06
CSCC[C@H](NC(=O)CCCOC(C)(C)C)C1=N[N-]N=N1	REAL300020165657	0	45	-1.0	-47.87	373.47	3.72	-44.15
CSCC[C@H](NC(=O)CCCOC(C)(C)C)C1=NN=N[N-]1	REAL300020165657	1	45	-1.0	-47.93	373.53	3.73	-44.20
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=NN1)C1=N[N-]N=N1	REAL300020165658	0	32	-1.0	-42.41	309.84	2.24	-40.17
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=NN1)C1=NN=N[N-]1	REAL300020165658	1	32	-1.0	-42.41	309.90	2.26	-40.15
CSCC[C@H](NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300020165659	0	35	-2.0	-92.52	338.03	1.41	-91.11
CSCC[C@H](NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300020165659	1	35	-2.0	-92.54	338.09	1.43	-91.11
CSCC[C@H](NC(=O)C1=C(C)OC(C(C)C)=C1)C1=N[N-]N=N1	REAL300020165660	0	42	-1.0	-45.14	363.36	5.10	-40.04
CSCC[C@H](NC(=O)C1=C(C)OC(C(C)C)=C1)C1=NN=N[N-]1	REAL300020165660	1	42	-1.0	-45.12	363.42	5.12	-40.00
CSCC[C@H](NC(=O)C(CO)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020165661	0	40	-1.0	-45.75	365.58	2.52	-43.23
CSCC[C@H](NC(=O)C(CO)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020165661	1	40	-1.0	-45.73	365.64	2.53	-43.20
CSCC[C@H](NC(=O)C1=CC=CN=C1OC(C)C)C1=NN=N[N-]1	REAL300020165662	0	42	-1.0	-52.09	364.60	3.91	-48.18
CSCC[C@H](NC(=O)C1=CC=CN=C1OC(C)C)C1=N[N-]N=N1	REAL300020165662	1	42	-1.0	-52.08	364.55	3.89	-48.19
CSCC[C@H](NC(=O)C1=C(C)NC(=O)C(Br)=C1)C1=N[N-]N=N1	REAL300020165663	0	36	-1.0	-43.37	338.82	2.28	-41.09
CSCC[C@H](NC(=O)C1=C(C)NC(=O)C(Br)=C1)C1=NN=N[N-]1	REAL300020165663	1	36	-1.0	-43.39	338.88	2.29	-41.10
CSCC[C@H](NC(=O)C1=NC=C(CC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020165664	0	42	-1.0	-47.92	380.03	3.77	-44.15
CSCC[C@H](NC(=O)C1=NC=C(CC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020165664	1	42	-1.0	-47.93	379.97	3.76	-44.17
CSCC[C@H](NC(=O)C(C)C1=NC(C)=CS1)C1=N[N-]N=N1	REAL300020165665	0	38	-1.0	-47.90	346.18	3.07	-44.83
CSCC[C@H](NC(=O)C(C)C1=NC(C)=CS1)C1=NN=N[N-]1	REAL300020165665	1	38	-1.0	-47.90	346.24	3.09	-44.81
CSCC[C@H](NC(=O)C1=CC(C#N)=CC=C1Cl)C1=N[N-]N=N1	REAL300020165666	0	34	-1.0	-46.59	330.85	5.00	-41.59
CSCC[C@H](NC(=O)C1=CC(C#N)=CC=C1Cl)C1=NN=N[N-]1	REAL300020165666	1	34	-1.0	-46.58	330.90	5.01	-41.57
CSCC[C@H](NC(=O)C(C)C1=CC=CC(CC(C)C)=C1)C1=N[N-]N=N1	REAL300020165667	0	51	-1.0	-45.64	419.26	7.99	-37.65
CSCC[C@H](NC(=O)C(C)C1=CC=CC(CC(C)C)=C1)C1=NN=N[N-]1	REAL300020165667	1	51	-1.0	-45.63	419.31	8.00	-37.63
CSCC[C@H](NC(=O)C1CCCC2CCCCC21)C1=N[N-]N=N1	REAL300020165668	0	49	-1.0	-45.79	373.95	6.44	-39.35
CSCC[C@H](NC(=O)C1CCCC2CCCCC21)C1=NN=N[N-]1	REAL300020165668	1	49	-1.0	-45.80	374.01	6.46	-39.34
CSCC[C@H](NC(=O)C1CCS(=O)(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020165669	0	43	-1.0	-55.72	378.10	2.24	-53.48
CSCC[C@H](NC(=O)C1CCS(=O)(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020165669	1	43	-1.0	-55.70	378.16	2.26	-53.44
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=NN1)C1=N[N-]N=N1	REAL300020165670	0	33	-1.0	-41.80	320.74	1.53	-40.27
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=NN1)C1=NN=N[N-]1	REAL300020165670	1	33	-1.0	-41.82	320.79	1.55	-40.27
CSCC[C@H](NC(=O)C1=CC=C(C2=CSC(C)=N2)C=C1)C1=NN=N[N-]1	REAL300020165671	0	42	-1.0	-49.54	381.85	5.51	-44.03
CSCC[C@H](NC(=O)C1=CC=C(C2=CSC(C)=N2)C=C1)C1=N[N-]N=N1	REAL300020165671	1	42	-1.0	-49.54	381.80	5.50	-44.04
CSCC[C@H](NC(=O)CCN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020165672	0	49	-1.0	-45.84	408.30	4.11	-41.73
CSCC[C@H](NC(=O)CCN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020165672	1	49	-1.0	-45.90	408.36	4.12	-41.78
CSCC[C@H](NC(=O)C1=C(C)N(CC2=NOC(C)=C2)N=N1)C1=N[N-]N=N1	REAL300020165673	0	44	-1.0	-51.97	393.81	2.94	-49.03
CSCC[C@H](NC(=O)C1=C(C)N(CC2=NOC(C)=C2)N=N1)C1=NN=N[N-]1	REAL300020165673	1	44	-1.0	-51.97	393.87	2.95	-49.02
CSCC[C@H](NC(=O)C1=CSC=C1Br)C1=N[N-]N=N1	REAL300020165674	0	30	-1.0	-47.40	306.52	3.62	-43.78
CSCC[C@H](NC(=O)C1=CSC=C1Br)C1=NN=N[N-]1	REAL300020165674	1	30	-1.0	-47.38	306.58	3.63	-43.75
CSCC[C@H](NC(=O)C1=C(C(C)C)NC=C1)C1=N[N-]N=N1	REAL300020165675	0	40	-1.0	-49.76	344.46	3.83	-45.93
CSCC[C@H](NC(=O)C1=C(C(C)C)NC=C1)C1=NN=N[N-]1	REAL300020165675	1	40	-1.0	-49.75	344.52	3.85	-45.90
CSCC[C@H](NC(=O)C(C1CCC1)C1CCC1)C1=N[N-]N=N1	REAL300020165676	0	46	-1.0	-47.69	367.84	6.52	-41.17
CSCC[C@H](NC(=O)C(C1CCC1)C1CCC1)C1=NN=N[N-]1	REAL300020165676	1	46	-1.0	-47.70	367.90	6.54	-41.16
COC1=CC=CC(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1F	REAL300020165677	0	43	-1.0	-47.67	378.32	4.91	-42.76
COC1=CC=CC(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1F	REAL300020165677	1	43	-1.0	-47.71	378.38	4.92	-42.79
CCC(C)(C)C1CCC2(CC2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020165678	0	58	-1.0	-46.01	434.32	8.16	-37.85
CCC(C)(C)C1CCC2(CC2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020165678	1	58	-1.0	-46.01	434.38	8.17	-37.84
CSCC[C@H](NC(=O)C(C)(O)CSC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020165679	0	44	-1.0	-43.49	395.82	3.43	-40.06
CSCC[C@H](NC(=O)C(C)(O)CSC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020165679	1	44	-1.0	-43.52	395.88	3.44	-40.08
CSCC[C@H](NC(=O)CC1=CC=CN=C1C)C1=N[N-]N=N1	REAL300020165680	0	38	-1.0	-49.74	333.96	3.43	-46.31
CSCC[C@H](NC(=O)CC1=CC=CN=C1C)C1=NN=N[N-]1	REAL300020165680	1	38	-1.0	-49.74	334.02	3.44	-46.30
CSCC[C@H](NC(=O)CC(C1=NC=CN1C)C(F)(F)F)C1=N[N-]N=N1	REAL300020165681	0	42	-1.0	-42.52	375.11	4.29	-38.23
CSCC[C@H](NC(=O)CC(C1=NC=CN1C)C(F)(F)F)C1=NN=N[N-]1	REAL300020165681	1	42	-1.0	-42.53	375.17	4.31	-38.22
CSCC[C@H](NC(=O)CC(C1=NC=CN1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165682	0	46	-1.0	-54.60	391.27	5.97	-48.63
CSCC[C@H](NC(=O)CC(C1=NC=CN1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165682	1	46	-1.0	-54.61	391.33	5.98	-48.63
CSCC[C@H](NC(=O)C1=NC(S(C)(=O)=O)=NC=C1C)C1=NN=N[N-]1	REAL300020165683	0	40	-1.0	-49.12	368.98	-0.52	-49.64
CSCC[C@H](NC(=O)C1=NC(S(C)(=O)=O)=NC=C1C)C1=N[N-]N=N1	REAL300020165683	1	40	-1.0	-49.13	368.92	-0.53	-49.66
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165684	0	40	-1.0	-45.86	350.06	6.11	-39.75
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165684	1	40	-1.0	-45.84	350.12	6.12	-39.72
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1F)C1=N[N-]N=N1	REAL300020165685	0	35	-1.0	-46.97	330.27	4.82	-42.15
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1F)C1=NN=N[N-]1	REAL300020165685	1	35	-1.0	-46.94	330.33	4.84	-42.10
CSCC[C@H](NC(=O)C1=C(Cl)C(Cl)=NS1)C1=NN=N[N-]1	REAL300020165686	0	29	-1.0	-41.54	315.40	2.64	-38.90
CSCC[C@H](NC(=O)C1=C(Cl)C(Cl)=NS1)C1=N[N-]N=N1	REAL300020165686	1	29	-1.0	-41.51	315.34	2.63	-38.88
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020165687	0	41	-1.0	-52.63	372.41	3.99	-48.64
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CN=C1)C1=N[N-]N=N1	REAL300020165687	1	41	-1.0	-52.65	372.36	3.98	-48.67
CSCC[C@H](NC(=O)CC1=CC=C2N=CSC2=C1)C1=NN=N[N-]1	REAL300020165688	0	38	-1.0	-50.03	353.36	4.16	-45.87
CSCC[C@H](NC(=O)CC1=CC=C2N=CSC2=C1)C1=N[N-]N=N1	REAL300020165688	1	38	-1.0	-50.04	353.30	4.14	-45.90
CSCC[C@H](NC(=O)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C1=N[N-]N=N1	REAL300020165689	0	42	-1.0	-50.77	371.57	6.80	-43.97
CSCC[C@H](NC(=O)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C1=NN=N[N-]1	REAL300020165689	1	42	-1.0	-50.73	371.63	6.82	-43.91
CNC1=NC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020165690	0	39	-1.0	-55.04	356.08	3.95	-51.09
CNC1=NC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020165690	1	39	-1.0	-55.08	356.03	3.94	-51.14
CSCC[C@H](NC(=O)C1=C(Cl)C=CS1)C1=N[N-]N=N1	REAL300020165691	0	30	-1.0	-46.76	303.39	3.61	-43.15
CSCC[C@H](NC(=O)C1=C(Cl)C=CS1)C1=NN=N[N-]1	REAL300020165691	1	30	-1.0	-46.75	303.44	3.62	-43.13
CSCC[C@H](NC(=O)[C@H](C)OC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020165692	0	50	-1.0	-50.28	421.85	8.68	-41.60
CSCC[C@H](NC(=O)[C@H](C)OC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020165692	1	50	-1.0	-50.25	421.91	8.70	-41.55
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2C(N(C)C)=C1)C1=NN=N[N-]1	REAL300020165693	0	46	-1.0	-47.80	395.15	4.40	-43.40
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2C(N(C)C)=C1)C1=N[N-]N=N1	REAL300020165693	1	46	-1.0	-47.84	395.09	4.38	-43.46
CSCC[C@H](NC(=O)C1=CN(C2CC2)C(C)=CC1=O)C1=N[N-]N=N1	REAL300020165694	0	43	-1.0	-57.61	367.21	5.40	-52.21
CSCC[C@H](NC(=O)C1=CN(C2CC2)C(C)=CC1=O)C1=NN=N[N-]1	REAL300020165694	1	43	-1.0	-57.65	367.27	5.41	-52.24
COC(=O)CC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CO1	REAL300020165695	0	39	-1.0	-52.34	354.75	3.66	-48.68
COC(=O)CC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CO1	REAL300020165695	1	39	-1.0	-52.34	354.80	3.68	-48.66
CSCC[C@H](NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300020165696	0	44	0.0	-68.72	371.72	4.53	-64.19
CSCC[C@H](NC(=O)C1=CC=C(CN(C)C)N=C1)C1=N[N-]N=N1	REAL300020165696	1	43	-1.0	-45.68	369.26	1.66	-44.02
CSCC[C@H](NC(=O)C1=CC=C(CN(C)C)N=C1)C1=NN=N[N-]1	REAL300020165696	1	43	-1.0	-45.70	369.31	1.67	-44.03
CSCC[C@H](NC(=O)C1=CN=C(C2CCCC2)N=C1N)C1=N[N-]N=N1	REAL300020165697	0	46	-1.0	-42.74	383.74	3.71	-39.03
CSCC[C@H](NC(=O)C1=CN=C(C2CCCC2)N=C1N)C1=NN=N[N-]1	REAL300020165697	1	46	-1.0	-42.74	383.79	3.73	-39.01
CSCC[C@H](NC(=O)CC1=COC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020165698	0	39	-1.0	-51.26	350.08	5.12	-46.14
CSCC[C@H](NC(=O)CC1=COC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020165698	1	39	-1.0	-51.27	350.13	5.14	-46.13
CSCC[C@H](NC(=O)CCC[C@H](O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020165699	0	46	-1.0	-49.07	400.07	4.08	-44.99
CSCC[C@H](NC(=O)CCC[C@H](O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020165699	1	46	-1.0	-49.10	400.13	4.09	-45.01
CSCC[C@H](NC(=O)COCC1=CC=NN1C)C1=N[N-]N=N1	REAL300020165700	0	40	-1.0	-53.62	357.47	2.83	-50.79
CSCC[C@H](NC(=O)COCC1=CC=NN1C)C1=NN=N[N-]1	REAL300020165700	1	40	-1.0	-53.62	357.53	2.85	-50.77
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300020165701	0	40	-2.0	-116.90	372.14	3.37	-113.53
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300020165701	1	40	-2.0	-116.88	372.20	3.39	-113.49
CSCC[C@H](NC(=O)C1=CC(C)=CC2=C(C)C=CN=C12)C1=NN=N[N-]1	REAL300020165702	0	44	-1.0	-56.82	375.95	6.12	-50.70
CSCC[C@H](NC(=O)C1=CC(C)=CC2=C(C)C=CN=C12)C1=N[N-]N=N1	REAL300020165702	1	44	-1.0	-56.85	375.89	6.11	-50.74
CSCC[C@H](NC(=O)C1(OC2=CC=C(Cl)C=C2)CC1)C1=N[N-]N=N1	REAL300020165703	0	41	-1.0	-44.32	374.40	5.00	-39.32
CSCC[C@H](NC(=O)C1(OC2=CC=C(Cl)C=C2)CC1)C1=NN=N[N-]1	REAL300020165703	1	41	-1.0	-44.37	374.46	5.02	-39.35
CSCC[C@H](NC(=O)C1CCC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020165704	0	42	-1.0	-47.78	359.85	5.49	-42.29
CSCC[C@H](NC(=O)C1CCC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020165704	1	42	-1.0	-47.84	359.91	5.51	-42.33
CSCC[C@H](NC(=O)CCCC1=NC(C)=CS1)C1=N[N-]N=N1	REAL300020165705	0	41	-1.0	-50.68	371.64	4.05	-46.63
CSCC[C@H](NC(=O)CCCC1=NC(C)=CS1)C1=NN=N[N-]1	REAL300020165705	1	41	-1.0	-50.71	371.70	4.07	-46.64
CSCC[C@H](NC(=O)C1=CN2C=NC=C2C=C1)C1=N[N-]N=N1	REAL300020165706	0	36	-1.0	-45.60	324.47	5.51	-40.09
CSCC[C@H](NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=NN=N[N-]1	REAL300020165706	1	37	0.0	-62.49	327.95	6.03	-56.46
CSCC[C@H](NC(=O)C1=CN2C=NC=C2C=C1)C1=NN=N[N-]1	REAL300020165706	1	36	-1.0	-45.62	324.53	5.53	-40.09
CSCC[C@H](NC(=O)CN1C=C(C=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020165707	0	42	-1.0	-57.67	377.34	5.95	-51.72
CSCC[C@H](NC(=O)CN1C=C(C=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020165707	1	42	-1.0	-57.64	377.40	5.97	-51.67
CSCC[C@H](NC(=O)C12C3C(=O)C4C1C1CC4C3C12)C1=N[N-]N=N1	REAL300020165708	0	42	-1.0	-56.43	352.15	5.17	-51.26
CSCC[C@H](NC(=O)C12C3C(=O)C4C1C1CC4C3C12)C1=NN=N[N-]1	REAL300020165708	1	42	-1.0	-56.48	352.21	5.19	-51.29
CSCC[C@H](NC(=O)C1CCN(CC(F)(F)F)CC1)C1=N[N-]N=N1	REAL300020165709	0	44	-1.0	-49.86	375.27	3.11	-46.75
CSCC[C@H](NC(=O)C1CCN(CC(F)(F)F)CC1)C1=NN=N[N-]1	REAL300020165709	1	44	-1.0	-49.84	375.33	3.13	-46.71
CSCC[C@H](NC(=O)C1COCCN1CC(F)(F)F)C1=N[N-]N=N1	REAL300020165710	0	42	-1.0	-43.03	353.85	0.29	-42.74
CSCC[C@H](NC(=O)C1COCCN1CC(F)(F)F)C1=NN=N[N-]1	REAL300020165710	1	42	-1.0	-43.05	353.91	0.30	-42.75
COC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCOCC1	REAL300020165711	0	41	-1.0	-43.52	338.75	1.19	-42.33
COC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCOCC1	REAL300020165711	1	41	-1.0	-43.54	338.81	1.21	-42.33
COCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC=N1	REAL300020165712	0	36	-1.0	-48.07	335.36	0.89	-47.18
COCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC=N1	REAL300020165712	1	36	-1.0	-48.07	335.42	0.91	-47.16
CSCC[C@H](NC(=O)CC1=CC=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL300020165713	0	42	-1.0	-64.52	370.45	2.49	-62.03
CSCC[C@H](NC(=O)CC1=CC=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL300020165713	1	42	-1.0	-64.51	370.51	2.50	-62.01
CSCC[C@H](NC(=O)C1=C(C(C)C)C=CO1)C1=N[N-]N=N1	REAL300020165714	0	39	-1.0	-46.96	340.56	4.12	-42.84
CSCC[C@H](NC(=O)C1=C(C(C)C)C=CO1)C1=NN=N[N-]1	REAL300020165714	1	39	-1.0	-46.96	340.62	4.13	-42.83
CSCC[C@H](NC(=O)C(C)(C)S(=O)(=O)C1CC1)C1=N[N-]N=N1	REAL300020165715	0	42	-1.0	-62.07	366.67	1.69	-60.38
CSCC[C@H](NC(=O)C(C)(C)S(=O)(=O)C1CC1)C1=NN=N[N-]1	REAL300020165715	1	42	-1.0	-62.05	366.73	1.70	-60.35
CSCC[C@H](NC(=O)C1(O)CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020165716	0	44	-1.0	-47.14	369.42	3.51	-43.63
CSCC[C@H](NC(=O)C1(O)CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020165716	1	44	-1.0	-47.14	369.47	3.52	-43.62
CSCC[C@H](NC(=O)C1=CC(CC2=CC=CC=C2)=NN1)C1=N[N-]N=N1	REAL300020165717	0	43	-1.0	-44.89	382.63	4.89	-40.00
CSCC[C@H](NC(=O)C1=CC(CC2=CC=CC=C2)=NN1)C1=NN=N[N-]1	REAL300020165717	1	43	-1.0	-44.88	382.69	4.91	-39.97
CSCC[C@H](NC(=O)C1=CC=NC2=NNN=C21)C1=N[N-]N=N1	REAL300020165718	0	34	-1.0	-53.63	313.41	0.73	-52.90
CSCC[C@H](NC(=O)C1=CC=NC2=NNN=C21)C1=NN=N[N-]1	REAL300020165718	1	34	-1.0	-53.67	313.46	0.75	-52.92
CSCC[C@H](NC(=O)C(NC(N)=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020165719	0	44	-1.0	-42.90	359.66	-0.58	-43.48
CSCC[C@H](NC(=O)C(NC(N)=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020165719	1	44	-1.0	-42.86	359.72	-0.57	-43.43
CSCC[C@H](NC(=O)C1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300020165720	0	37	-1.0	-43.94	344.97	2.18	-41.76
CSCC[C@H](NC(=O)C1=NN=C(C(C)C)S1)C1=NN=N[N-]1	REAL300020165720	1	37	-1.0	-43.97	345.03	2.20	-41.77
CSCC[C@H](NC(=O)CCCC1=NC=CS1)C1=N[N-]N=N1	REAL300020165721	0	38	-1.0	-50.34	349.84	3.46	-46.88
CSCC[C@H](NC(=O)CCCC1=NC=CS1)C1=NN=N[N-]1	REAL300020165721	1	38	-1.0	-50.35	349.90	3.48	-46.87
CSCC[C@H](NC(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020165722	0	39	-1.0	-52.85	362.53	1.64	-51.21
CSCC[C@H](NC(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020165722	1	39	-1.0	-52.89	362.59	1.66	-51.23
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)N1CCOC(CC)C1	REAL300020165723	0	51	-1.0	-46.38	402.42	2.43	-43.95
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)N1CCOC(CC)C1	REAL300020165723	1	51	-1.0	-46.37	402.47	2.44	-43.93
CCN(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)CC1=CC=CC=C1Cl	REAL300020165724	0	47	-1.0	-49.01	401.78	5.20	-43.81
CCN(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)CC1=CC=CC=C1Cl	REAL300020165724	1	47	-1.0	-48.97	401.84	5.22	-43.75
CSCC[C@H](NC(=O)CC1=CSC(N2CCOCC2)=N1)C1=N[N-]N=N1	REAL300020165725	0	45	-1.0	-48.42	395.02	1.57	-46.85
CSCC[C@H](NC(=O)CC1=CSC(N2CCOCC2)=N1)C1=NN=N[N-]1	REAL300020165725	1	45	-1.0	-48.41	395.07	1.59	-46.82
CCCCCCCCC(O)CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165726	0	57	-1.0	-44.43	465.21	5.54	-38.89
CCCCCCCCC(O)CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165726	1	57	-1.0	-44.45	465.26	5.56	-38.89
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165727	0	46	-1.0	-42.11	379.79	1.47	-40.64
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165727	1	46	-1.0	-42.11	379.84	1.48	-40.63
CSCC[C@H](NC(=O)C1=C(F)C=CC(SCC2CC2)=C1F)C1=N[N-]N=N1	REAL300020165728	0	44	-1.0	-50.71	406.37	7.45	-43.26
CSCC[C@H](NC(=O)C1=C(F)C=CC(SCC2CC2)=C1F)C1=NN=N[N-]1	REAL300020165728	1	44	-1.0	-50.75	406.43	7.46	-43.29
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300020165729	0	49	-1.0	-49.23	416.79	2.63	-46.60
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300020165729	1	49	-1.0	-49.25	416.85	2.64	-46.61
CSCC[C@H](NC(=O)CC1(C)CC1(Cl)Cl)C1=N[N-]N=N1	REAL300020165730	0	36	-1.0	-45.79	343.36	4.80	-40.99
CSCC[C@H](NC(=O)CC1(C)CC1(Cl)Cl)C1=NN=N[N-]1	REAL300020165730	1	36	-1.0	-45.78	343.42	4.81	-40.97
COCC1=NN(C)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165731	0	40	-1.0	-52.77	354.33	1.48	-51.29
COCC1=NN(C)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165731	1	40	-1.0	-52.71	354.39	1.49	-51.22
CSCC[C@H](NC(=O)C1=NN(C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020165732	0	33	-1.0	-45.77	319.22	2.24	-43.53
CSCC[C@H](NC(=O)C1=NN(C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020165732	1	33	-1.0	-45.77	319.16	2.23	-43.54
CSCC[C@H](NC(=O)C1=CC2=CC=NC=C2S1)C1=NN=N[N-]1	REAL300020165733	0	35	-1.0	-44.47	331.46	3.73	-40.74
CSCC[C@H](NC(=O)C1=CC2=CC=NC=C2S1)C1=N[N-]N=N1	REAL300020165733	1	35	-1.0	-44.43	331.41	3.71	-40.72
CSCC[C@H](NC(=O)C=CC1(C)CCOCC1)C1=N[N-]N=N1	REAL300020165734	0	44	-1.0	-46.52	359.77	3.44	-43.08
CSCC[C@H](NC(=O)C=CC1(C)CCOCC1)C1=NN=N[N-]1	REAL300020165734	1	44	-1.0	-46.54	359.83	3.46	-43.08
CSCC[C@H](NC(=O)C1=CN=C(F)C(C)=C1)C1=NN=N[N-]1	REAL300020165735	0	35	-1.0	-42.90	319.32	2.88	-40.02
CSCC[C@H](NC(=O)C1=CN=C(F)C(C)=C1)C1=N[N-]N=N1	REAL300020165735	1	35	-1.0	-42.90	319.27	2.87	-40.03
CSCC[C@H](NC(=O)C1=CC(C#N)=CC=C1F)C1=N[N-]N=N1	REAL300020165736	0	34	-1.0	-49.02	322.89	4.56	-44.46
CSCC[C@H](NC(=O)C1=CC(C#N)=CC=C1F)C1=NN=N[N-]1	REAL300020165736	1	34	-1.0	-48.99	322.95	4.58	-44.41
CSCC[C@H](NC(=O)C1=CC=CC(C2=CN=CO2)=C1)C1=NN=N[N-]1	REAL300020165737	0	39	-1.0	-52.67	352.14	2.52	-50.15
CSCC[C@H](NC(=O)C1=CC=CC(C2=CN=CO2)=C1)C1=N[N-]N=N1	REAL300020165737	1	39	-1.0	-52.67	352.08	2.50	-50.17
CSCC[C@H](NC(=O)C1=CC=C(C2OCCO2)C=C1)C1=N[N-]N=N1	REAL300020165738	0	42	-1.0	-47.71	364.94	3.71	-44.00
CSCC[C@H](NC(=O)C1=CC=C(C2OCCO2)C=C1)C1=NN=N[N-]1	REAL300020165738	1	42	-1.0	-47.71	365.00	3.72	-43.99
CSCC[C@H](NC(=O)C1=C(O)C2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL300020165739	0	39	-1.0	-50.93	348.85	3.24	-47.69
CSCC[C@H](NC(=O)C1=C(O)C2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL300020165739	1	39	-1.0	-50.96	348.91	3.26	-47.70
CSCC[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL300020165739	1	38	-2.0	-118.94	345.29	4.25	-114.69
CSCC[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL300020165739	1	38	-2.0	-118.93	345.35	4.26	-114.67
CSCC[C@H](NC(=O)C1=CC(C=O)=CN1C)C1=N[N-]N=N1	REAL300020165740	0	36	-1.0	-51.83	327.11	3.26	-48.57
CSCC[C@H](NC(=O)C1=CC(C=O)=CN1C)C1=NN=N[N-]1	REAL300020165740	1	36	-1.0	-51.86	327.16	3.28	-48.58
CSCC[C@H](NC(=O)C1=CC=C(C=O)N1C)C1=N[N-]N=N1	REAL300020165741	0	36	-1.0	-49.38	322.57	3.10	-46.28
CSCC[C@H](NC(=O)C1=CC=C(C=O)N1C)C1=NN=N[N-]1	REAL300020165741	1	36	-1.0	-49.42	322.63	3.12	-46.30
CSCC[C@H](NC(=O)C1=C(C)N(CC2=NN=C(C)O2)N=N1)C1=N[N-]N=N1	REAL300020165742	0	43	-1.0	-50.17	388.99	-2.26	-52.43
CSCC[C@H](NC(=O)C1=C(C)N(CC2=NN=C(C)O2)N=N1)C1=NN=N[N-]1	REAL300020165742	1	43	-1.0	-50.15	389.05	-2.24	-52.39
CSCC[C@H](NC(=O)C1=C(F)C=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL300020165743	0	40	-1.0	-58.35	354.26	5.45	-52.90
CSCC[C@H](NC(=O)C1=C(F)C=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL300020165743	1	40	-1.0	-58.38	354.21	5.43	-52.95
CSCC[C@H](NC(=O)C1=CC(F)=C([N+](=O)[O-])C=C1NC(C)=O)C1=N[N-]N=N1	REAL300020165744	0	42	-1.0	-41.36	380.86	4.11	-37.25
CSCC[C@H](NC(=O)C1=CC(F)=C([N+](=O)[O-])C=C1NC(C)=O)C1=NN=N[N-]1	REAL300020165744	1	42	-1.0	-41.36	380.92	4.12	-37.24
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2N=C1C1CC1)C1=N[N-]N=N1	REAL300020165745	0	44	-1.0	-47.56	383.24	4.87	-42.69
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2N=C1C1CC1)C1=NN=N[N-]1	REAL300020165745	1	44	-1.0	-47.60	383.30	4.89	-42.71
CCC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1	REAL300020165746	0	41	-1.0	-49.06	358.53	4.56	-44.50
CCC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1	REAL300020165746	1	41	-1.0	-49.07	358.59	4.57	-44.50
CSCC[C@H](NC(=O)C1=CC2=C(S1)N(C)C(=O)N(C)C2=O)C1=N[N-]N=N1	REAL300020165747	0	42	-1.0	-49.40	383.39	3.56	-45.84
CSCC[C@H](NC(=O)C1=CC(F)=C(N2CCOCC2)C(F)=C1)C1=N[N-]N=N1	REAL300020165748	0	46	-1.0	-42.96	393.57	3.21	-39.75
CSCC[C@H](NC(=O)C1=CC(F)=C(N2CCOCC2)C(F)=C1)C1=NN=N[N-]1	REAL300020165748	1	46	-1.0	-42.97	393.63	3.22	-39.75
CSCC[C@H](NC(=O)C(=CC1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300020165749	0	40	-1.0	-44.09	358.09	6.25	-37.84
CSCC[C@H](NC(=O)C(=CC1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300020165749	1	40	-1.0	-44.13	358.15	6.27	-37.86
CSCC[C@H](NC(=O)C(F)=CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020165750	0	40	-1.0	-41.56	373.61	6.32	-35.24
CSCC[C@H](NC(=O)C(F)=CC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020165750	1	40	-1.0	-41.57	373.67	6.34	-35.23
CSCC[C@H](NC(=O)C1=C(CC(N)=O)NC=C1C)C1=N[N-]N=N1	REAL300020165751	0	41	-1.0	-49.70	367.86	-0.13	-49.83
CSCC[C@H](NC(=O)C1=C(CC(N)=O)NC=C1C)C1=NN=N[N-]1	REAL300020165751	1	41	-1.0	-49.74	367.92	-0.11	-49.85
CSCC[C@H](NC(=O)C1=NN(C)C(C2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL300020165752	0	42	-1.0	-51.52	371.16	3.35	-48.17
CSCC[C@H](NC(=O)C1=NN(C)C(C2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL300020165752	1	42	-1.0	-51.51	371.10	3.33	-48.18
CSCC[C@H](NC(=O)C1=CC(C)=C(C(N)=O)C=N1)C1=N[N-]N=N1	REAL300020165753	0	39	-1.0	-47.80	345.72	-0.17	-47.97
CSCC[C@H](NC(=O)C1=CC(C)=C(C(N)=O)C=N1)C1=NN=N[N-]1	REAL300020165753	1	39	-1.0	-47.82	345.77	-0.15	-47.97
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2)CCOCC1)C1=N[N-]N=N1	REAL300020165754	0	50	-1.0	-48.86	401.74	5.65	-43.21
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2)CCOCC1)C1=NN=N[N-]1	REAL300020165754	1	50	-1.0	-48.84	401.81	5.66	-43.18
CSCC[C@H](NC(=O)C1(CC2=CC=CC(Cl)=C2)CC1)C1=N[N-]N=N1	REAL300020165755	0	43	-1.0	-45.74	390.68	7.29	-38.45
CSCC[C@H](NC(=O)C1(CC2=CC=CC(Cl)=C2)CC1)C1=NN=N[N-]1	REAL300020165755	1	43	-1.0	-45.71	390.72	7.31	-38.40
CSCC[C@H](NC(=O)C1=CC=CC2=C1OC(C)C2)C1=N[N-]N=N1	REAL300020165756	0	41	-1.0	-54.09	353.39	5.59	-48.50
CSCC[C@H](NC(=O)C1=CC=CC2=C1OC(C)C2)C1=NN=N[N-]1	REAL300020165756	1	41	-1.0	-54.12	353.45	5.60	-48.52
CSCC[C@H](NC(=O)C1=CC=C(C)N=C1C(C)C)C1=N[N-]N=N1	REAL300020165757	0	44	-1.0	-46.19	368.89	5.08	-41.11
CSCC[C@H](NC(=O)C1=CC=C(C)N=C1C(C)C)C1=NN=N[N-]1	REAL300020165757	1	44	-1.0	-46.22	368.95	5.09	-41.13
CSCC[C@H](NC(=O)C1=CN(CC2CC2)N=N1)C1=NN=N[N-]1	REAL300020165758	0	39	-1.0	-46.94	351.57	2.84	-44.10
CSCC[C@H](NC(=O)C1=CN(CC2CC2)N=N1)C1=N[N-]N=N1	REAL300020165758	1	39	-1.0	-46.94	351.52	2.82	-44.12
CSCC[C@H](NC(=O)C1=CC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL300020165759	0	35	-1.0	-47.54	331.46	3.61	-43.93
CSCC[C@H](NC(=O)C1=CC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL300020165759	1	35	-1.0	-47.55	331.40	3.60	-43.95
CSCC[C@H](NC(=O)C1=CC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL300020165760	0	38	-1.0	-47.65	338.56	4.60	-43.05
CSCC[C@H](NC(=O)C1=CC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL300020165760	1	38	-1.0	-47.61	338.51	4.58	-43.03
CSCC[C@H](NC(=O)CC1=CC(Br)=CC=C1C)C1=N[N-]N=N1	REAL300020165761	0	39	-1.0	-44.95	360.22	5.86	-39.09
CSCC[C@H](NC(=O)CC1=CC(Br)=CC=C1C)C1=NN=N[N-]1	REAL300020165761	1	39	-1.0	-44.97	360.28	5.87	-39.10
CSCC[C@H](NC(=O)C1=CC=C(C)C2=C1CCC2)C1=N[N-]N=N1	REAL300020165762	0	43	-1.0	-48.24	359.63	6.55	-41.69
CSCC[C@H](NC(=O)C1=CC=C(C)C2=C1CCC2)C1=NN=N[N-]1	REAL300020165762	1	43	-1.0	-48.25	359.69	6.56	-41.69
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)C1=N[N-]N=N1	REAL300020165763	0	42	-1.0	-47.11	380.14	6.83	-40.28
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)C1=NN=N[N-]1	REAL300020165763	1	42	-1.0	-47.10	380.19	6.85	-40.25
CSCC[C@H](NC(=O)C1=NN(C(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300020165764	0	42	-1.0	-50.41	364.66	3.89	-46.52
CSCC[C@H](NC(=O)C1=NN(C(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300020165764	1	42	-1.0	-50.37	364.72	3.91	-46.46
CSCC[C@H](NC(=O)CCC1=NN(C)N=C1)C1=N[N-]N=N1	REAL300020165765	0	38	-1.0	-47.82	340.41	1.73	-46.09
CSCC[C@H](NC(=O)CCC1=NN(C)N=C1)C1=NN=N[N-]1	REAL300020165765	1	38	-1.0	-47.85	340.47	1.74	-46.11
CCC(CC(F)(F)F)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165766	0	38	-1.0	-42.42	331.52	3.82	-38.60
CCC(CC(F)(F)F)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165766	1	38	-1.0	-42.41	331.58	3.83	-38.58
CSCC[C@H](NC(=O)C1=C(C)N(C2=CN(C)N=C2)N=N1)C1=NN=N[N-]1	REAL300020165767	0	42	-1.0	-47.79	374.87	2.05	-45.74
CSCC[C@H](NC(=O)C1=C(C)N(C2=CN(C)N=C2)N=N1)C1=N[N-]N=N1	REAL300020165767	1	42	-1.0	-47.76	374.81	2.04	-45.72
CSCC[C@H](NC(=O)CC1=NN=C(C)S1)C1=N[N-]N=N1	REAL300020165768	0	34	-1.0	-54.07	323.35	1.53	-52.54
CSCC[C@H](NC(=O)CC1=NN=C(C)S1)C1=NN=N[N-]1	REAL300020165768	1	34	-1.0	-54.05	323.41	1.54	-52.51
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020165769	0	40	-1.0	-48.16	364.33	6.52	-41.64
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020165769	1	40	-1.0	-48.17	364.38	6.54	-41.63
CSCC[C@H](NC(=O)CC1=CC(C)=CC=C1F)C1=N[N-]N=N1	REAL300020165770	0	39	-1.0	-46.37	348.99	5.46	-40.91
CSCC[C@H](NC(=O)CC1=CC(C)=CC=C1F)C1=NN=N[N-]1	REAL300020165770	1	39	-1.0	-46.39	349.04	5.48	-40.91
CSCC[C@H](NC(=O)CC1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL300020165771	0	39	-1.0	-48.48	361.78	5.94	-42.54
CSCC[C@H](NC(=O)CC1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL300020165771	1	39	-1.0	-48.51	361.84	5.95	-42.56
CSCC[C@H](NC(=O)CC1=CC2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL300020165772	0	42	-1.0	-51.27	373.17	3.83	-47.44
CSCC[C@H](NC(=O)CC1=CC2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL300020165772	1	42	-1.0	-51.30	373.23	3.85	-47.45
C=CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCCC1	REAL300020165773	0	46	-1.0	-47.39	357.84	5.85	-41.54
C=CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCCC1	REAL300020165773	1	46	-1.0	-47.40	357.90	5.86	-41.54
CSCC[C@H](NC(=O)CCC1=CN=CC(C)=C1)C1=N[N-]N=N1	REAL300020165774	0	41	-1.0	-46.93	359.85	4.43	-42.50
CSCC[C@H](NC(=O)CCC1=CN=CC(C)=C1)C1=NN=N[N-]1	REAL300020165774	1	41	-1.0	-46.93	359.91	4.44	-42.49
CSCC[C@H](NC(=O)CCC1=CN=CN=C1)C1=NN=N[N-]1	REAL300020165775	0	37	-1.0	-45.72	333.25	3.59	-42.13
CSCC[C@H](NC(=O)CCC1=CN=CN=C1)C1=N[N-]N=N1	REAL300020165775	1	37	-1.0	-45.70	333.19	3.58	-42.12
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)C)O1)C1=N[N-]N=N1	REAL300020165776	0	41	-1.0	-43.80	358.82	1.51	-42.29
CSCC[C@H](NC(=O)C1=C(C)N=C(C(C)C)O1)C1=NN=N[N-]1	REAL300020165776	1	41	-1.0	-43.78	358.87	1.52	-42.26
CSCC[C@H](NC(=O)C1=CC=C(C(C)(F)F)C=C1)C1=N[N-]N=N1	REAL300020165777	0	39	-1.0	-44.77	350.69	5.61	-39.16
CSCC[C@H](NC(=O)C1=CC=C(C(C)(F)F)C=C1)C1=NN=N[N-]1	REAL300020165777	1	39	-1.0	-44.80	350.75	5.62	-39.18
CSCC[C@H](NC(=O)C(CC(C)C)CC(C)C)C1=N[N-]N=N1	REAL300020165778	0	50	-1.0	-45.45	387.33	5.99	-39.46
CSCC[C@H](NC(=O)C(CC(C)C)CC(C)C)C1=NN=N[N-]1	REAL300020165778	1	50	-1.0	-45.46	387.39	6.01	-39.45
CSCC[C@H](NC(=O)CC1COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020165779	0	42	-1.0	-54.83	365.30	4.74	-50.09
CSCC[C@H](NC(=O)CC1COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020165779	1	42	-1.0	-54.85	365.36	4.75	-50.10
CSCC[C@H](NC(=O)C1=CC=NC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300020165780	0	36	-1.0	-48.20	336.07	1.53	-46.67
CSCC[C@H](NC(=O)C1=CC=NC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300020165780	1	36	-1.0	-48.21	336.01	1.51	-46.70
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=C1OC	REAL300020165781	0	44	-1.0	-52.55	398.37	4.53	-48.02
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=C1OC	REAL300020165781	1	44	-1.0	-52.52	398.43	4.54	-47.98
CSCC[C@H](NC(=O)CCCC(=O)C1CC1)C1=N[N-]N=N1	REAL300020165782	0	41	-1.0	-54.53	359.46	4.84	-49.69
CSCC[C@H](NC(=O)CCCC(=O)C1CC1)C1=NN=N[N-]1	REAL300020165782	1	41	-1.0	-54.53	359.51	4.85	-49.68
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300020165783	0	50	-1.0	-55.69	410.20	2.73	-52.96
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300020165783	1	50	-1.0	-55.70	410.18	2.71	-52.99
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C([N+](=O)[O-])C=C1F	REAL300020165784	0	39	-1.0	-51.97	357.52	5.13	-46.84
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C([N+](=O)[O-])C=C1F	REAL300020165784	1	39	-1.0	-51.93	357.58	5.14	-46.79
CSCC[C@H](NC(=O)C1CC12CCSCC2)C1=N[N-]N=N1	REAL300020165785	0	41	-1.0	-44.64	353.32	5.29	-39.35
CSCC[C@H](NC(=O)C1CC12CCSCC2)C1=NN=N[N-]1	REAL300020165785	1	41	-1.0	-44.62	353.38	5.30	-39.32
CSCC[C@H](NC(=O)C1=C(C(C)C)N=CS1)C1=N[N-]N=N1	REAL300020165786	0	38	-1.0	-45.20	343.03	3.19	-42.01
CSCC[C@H](NC(=O)C1=C(C(C)C)N=CS1)C1=NN=N[N-]1	REAL300020165786	1	38	-1.0	-45.14	343.08	3.21	-41.93
CSCC[C@H](NC(=O)C1=CN2N=CC=C2N=C1C)C1=N[N-]N=N1	REAL300020165787	0	38	-1.0	-44.63	336.77	3.67	-40.96
CSCC[C@H](NC(=O)C1=CN2N=CC=C2N=C1C)C1=NN=N[N-]1	REAL300020165787	1	38	-1.0	-44.65	336.82	3.68	-40.97
CSCC[C@H](NC(=O)C1CC1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020165788	0	40	-1.0	-50.81	364.33	6.52	-44.29
CSCC[C@H](NC(=O)C1CC1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020165788	1	40	-1.0	-50.81	364.39	6.54	-44.27
CSCC[C@H](NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CC2)C1=N[N-]N=N1	REAL300020165789	0	54	-1.0	-47.05	441.26	5.25	-41.80
CSCC[C@H](NC(=O)C1CN(C(=O)OC(C)(C)C)CC12CC2)C1=NN=N[N-]1	REAL300020165789	1	54	-1.0	-47.07	441.32	5.27	-41.80
CCCCCC(O)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165790	0	42	-1.0	-43.76	357.93	2.80	-40.96
CCCCCC(O)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165790	1	42	-1.0	-43.75	357.99	2.81	-40.94
CSCC[C@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020165791	0	48	-1.0	-48.43	408.02	4.81	-43.62
CSCC[C@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020165791	1	48	-1.0	-48.43	408.08	4.83	-43.60
CSCC[C@H](NC(=O)C1=CN=C2NC=CC2=C1)C1=N[N-]N=N1	REAL300020165792	0	36	-1.0	-49.24	323.89	3.36	-45.88
CSCC[C@H](NC(=O)C1=CN=C2NC=CC2=C1)C1=NN=N[N-]1	REAL300020165792	1	36	-1.0	-49.30	323.95	3.37	-45.93
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL300020165793	0	43	-1.0	-49.23	389.09	3.37	-45.86
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL300020165793	1	43	-1.0	-49.25	389.15	3.39	-45.86
CSCC[C@H](NC(=O)C1(C(=O)C2CC2)CC1)C1=N[N-]N=N1	REAL300020165794	0	39	-1.0	-43.14	349.50	4.52	-38.62
CSCC[C@H](NC(=O)C1(C(=O)C2CC2)CC1)C1=NN=N[N-]1	REAL300020165794	1	39	-1.0	-43.17	349.56	4.53	-38.64
CSCC[C@H](NC(=O)CN1C=C(C(C)=O)N=N1)C1=N[N-]N=N1	REAL300020165795	0	37	-1.0	-52.27	342.17	1.30	-50.97
CSCC[C@H](NC(=O)CN1C=C(C(C)=O)N=N1)C1=NN=N[N-]1	REAL300020165795	1	37	-1.0	-52.28	342.22	1.32	-50.96
CSCC[C@H](NC(=O)C1=C(Br)SC=C1)C1=N[N-]N=N1	REAL300020165796	0	30	-1.0	-46.42	306.50	3.72	-42.70
CSCC[C@H](NC(=O)C1=C(Br)SC=C1)C1=NN=N[N-]1	REAL300020165796	1	30	-1.0	-46.45	306.55	3.74	-42.71
COC1=CC=C(OC(F)(F)F)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165797	0	41	-1.0	-48.49	370.80	4.41	-44.08
COC1=CC=C(OC(F)(F)F)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165797	1	41	-1.0	-48.53	370.86	4.42	-44.11
CSCC[C@H](NC(=O)C#CC1=CC=CS1)C1=N[N-]N=N1	REAL300020165798	0	32	-1.0	-45.86	319.03	4.52	-41.34
CSCC[C@H](NC(=O)C#CC1=CC=CS1)C1=NN=N[N-]1	REAL300020165798	1	32	-1.0	-45.86	319.09	4.53	-41.33
CSCC[C@H](NC(=O)C1=CC=C2OC(F)(F)OC2=C1C)C1=N[N-]N=N1	REAL300020165799	0	39	-1.0	-43.35	352.93	3.86	-39.49
CSCC[C@H](NC(=O)C1=CC=C2OC(F)(F)OC2=C1C)C1=NN=N[N-]1	REAL300020165799	1	39	-1.0	-43.38	352.98	3.88	-39.50
COC1=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Cl	REAL300020165800	0	40	-1.0	-47.62	367.69	4.61	-43.01
COC1=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Cl	REAL300020165800	1	40	-1.0	-47.60	367.75	4.62	-42.98
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2)N1)C1=N[N-]N=N1	REAL300020165801	0	41	-1.0	-47.68	348.17	4.30	-43.38
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2)N1)C1=NN=N[N-]1	REAL300020165801	1	41	-1.0	-47.71	348.22	4.32	-43.39
CSCC[C@H](NC(=O)CCC1CCC(=O)N1)C1=N[N-]N=N1	REAL300020165802	0	40	-1.0	-48.87	346.12	1.20	-47.67
CSCC[C@H](NC(=O)CCC1CCC(=O)N1)C1=NN=N[N-]1	REAL300020165802	1	40	-1.0	-48.87	346.18	1.22	-47.65
CSCC[C@H](NC(=O)CC1=CC=C(O)C(F)=C1)C1=N[N-]N=N1	REAL300020165803	0	37	-1.0	-51.02	339.41	1.98	-49.04
CSCC[C@H](NC(=O)CC1=CC=C(O)C(F)=C1)C1=NN=N[N-]1	REAL300020165803	1	37	-1.0	-51.05	339.46	2.00	-49.05
CSCC[C@H](NC(=O)C(O)C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300020165804	0	37	-1.0	-44.40	361.66	3.80	-40.60
CSCC[C@H](NC(=O)C(O)C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300020165804	1	37	-1.0	-44.45	361.72	3.82	-40.63
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=NN1C)C1=NN=N[N-]1	REAL300020165805	0	36	-1.0	-41.59	339.35	2.84	-38.75
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=NN1C)C1=N[N-]N=N1	REAL300020165805	1	36	-1.0	-41.58	339.29	2.83	-38.75
CSCC[C@H](NC(=O)C1CCCCC1(F)F)C1=N[N-]N=N1	REAL300020165806	0	39	-1.0	-45.07	331.30	4.56	-40.51
CSCC[C@H](NC(=O)C1CCCCC1(F)F)C1=NN=N[N-]1	REAL300020165806	1	39	-1.0	-45.06	331.36	4.57	-40.49
CSCC[C@H](NC(=O)C1CCC(C)C(C)C1)C1=N[N-]N=N1	REAL300020165807	0	45	-1.0	-46.02	354.32	5.18	-40.84
CSCC[C@H](NC(=O)C1CCC(C)C(C)C1)C1=NN=N[N-]1	REAL300020165807	1	45	-1.0	-46.02	354.38	5.19	-40.83
CSCC[C@H](NC(=O)CC1=CC(F)=C(C)C=C1F)C1=N[N-]N=N1	REAL300020165808	0	39	-1.0	-46.16	354.30	5.51	-40.65
CSCC[C@H](NC(=O)CC1=CC(F)=C(C)C=C1F)C1=NN=N[N-]1	REAL300020165808	1	39	-1.0	-46.12	354.35	5.52	-40.60
COC1COCCC1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165809	0	44	-1.0	-46.33	364.69	1.72	-44.61
COC1COCCC1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165809	1	44	-1.0	-46.33	364.75	1.73	-44.60
CCCC1CCCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165810	0	45	-1.0	-46.34	367.46	5.78	-40.56
CCCC1CCCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165810	1	45	-1.0	-46.34	367.52	5.79	-40.55
CSCC[C@H](NC(=O)C1=C(Cl)N(C)N=C1)C1=NN=N[N-]1	REAL300020165811	0	33	-1.0	-46.17	316.36	2.21	-43.96
CSCC[C@H](NC(=O)C1=C(Cl)N(C)N=C1)C1=N[N-]N=N1	REAL300020165811	1	33	-1.0	-46.15	316.30	2.20	-43.95
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)N1)C1=N[N-]N=N1	REAL300020165812	0	34	-1.0	-42.53	325.76	2.82	-39.71
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)N1)C1=NN=N[N-]1	REAL300020165812	1	34	-1.0	-42.53	325.82	2.83	-39.70
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020165813	0	48	-1.0	-52.53	408.79	4.70	-47.83
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020165813	1	48	-1.0	-52.54	408.73	4.68	-47.86
CSCC[C@H](NC(=O)C1=CC(Br)=C(C)C=C1C)C1=N[N-]N=N1	REAL300020165814	0	39	-1.0	-43.88	353.06	5.94	-37.94
CSCC[C@H](NC(=O)C1=CC(Br)=C(C)C=C1C)C1=NN=N[N-]1	REAL300020165814	1	39	-1.0	-43.87	353.11	5.96	-37.91
CSCC[C@H](NC(=O)C1=CC=C(C)C(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020165815	0	36	-1.0	-47.93	343.92	5.64	-42.29
CSCC[C@H](NC(=O)C1=CC=C(C)C(Cl)=C1Cl)C1=NN=N[N-]1	REAL300020165815	1	36	-1.0	-47.96	343.98	5.65	-42.31
CCOC1=NOC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165816	0	36	-1.0	-40.97	331.11	0.48	-40.49
CCOC1=NOC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165816	1	36	-1.0	-40.96	331.05	0.46	-40.50
CSCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1=N[N-]N=N1	REAL300020165817	0	40	-1.0	-50.79	345.19	3.79	-47.00
CSCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1=NN=N[N-]1	REAL300020165817	1	40	-1.0	-50.81	345.25	3.81	-47.00
CSCC[C@H](NC(=O)CCCC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020165818	0	46	-1.0	-54.25	385.71	5.07	-49.18
CSCC[C@H](NC(=O)CCCC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020165818	1	46	-1.0	-54.24	385.77	5.09	-49.15
CSCC[C@H](NC(=O)C1=CC=CN1CCN1CCOCC1)C1=N[N-]N=N1	REAL300020165819	0	50	-1.0	-49.48	412.24	2.88	-46.60
CSCC[C@H](NC(=O)C1=CC=CN1CCN1CCOCC1)C1=NN=N[N-]1	REAL300020165819	1	50	-1.0	-49.46	412.29	2.90	-46.56
CSCC[C@H](NC(=O)C1=C2CCCCC2=NO1)C1=N[N-]N=N1	REAL300020165820	0	39	-1.0	-43.12	337.63	3.86	-39.26
CSCC[C@H](NC(=O)C1=C2CCCCC2=NO1)C1=NN=N[N-]1	REAL300020165820	1	39	-1.0	-43.15	337.69	3.88	-39.27
CSCC[C@H](NC(=O)CC1CC(=O)NC1=O)C1=N[N-]N=N1	REAL300020165821	0	36	-1.0	-59.09	321.94	0.91	-58.18
CSCC[C@H](NC(=O)CC1CC(=O)NC1=O)C1=NN=N[N-]1	REAL300020165821	1	36	-1.0	-59.12	321.99	0.92	-58.20
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1C#N)C1=N[N-]N=N1	REAL300020165822	0	34	-1.0	-50.58	336.13	4.95	-45.63
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1C#N)C1=NN=N[N-]1	REAL300020165822	1	34	-1.0	-50.63	336.19	4.97	-45.66
CSCC[C@H](NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020165823	0	48	-1.0	-44.86	404.27	0.27	-44.59
CSCC[C@H](NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020165823	1	48	-1.0	-44.88	404.32	0.29	-44.59
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)N1)C1=N[N-]N=N1	REAL300020165824	0	35	-1.0	-47.56	322.02	-1.38	-48.94
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)N1)C1=NN=N[N-]1	REAL300020165824	1	35	-1.0	-47.56	322.08	-1.37	-48.93
CSCC[C@H](NC(=O)C1=C(C)N(C)C2=NN=NN2C1C)C1=NN=N[N-]1	REAL300020165825	0	44	-1.0	-40.77	376.20	4.42	-36.35
CSCC[C@H](NC(=O)C1=C(C)N(C)C2=NN=NN2C1C)C1=N[N-]N=N1	REAL300020165825	1	44	-1.0	-40.72	376.14	4.41	-36.31
CSCC[C@H](NC(=O)C1=C2C=CNC2=CC=N1)C1=NN=N[N-]1	REAL300020165826	0	36	-1.0	-53.06	324.00	2.41	-50.65
CSCC[C@H](NC(=O)C1=C2C=CNC2=CC=N1)C1=N[N-]N=N1	REAL300020165826	1	36	-1.0	-53.05	323.94	2.40	-50.65
CSCC[C@H](NC(=O)CNC(=O)NC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020165827	0	42	-1.0	-46.17	387.71	2.38	-43.79
CSCC[C@H](NC(=O)CNC(=O)NC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020165827	1	42	-1.0	-46.17	387.77	2.40	-43.77
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CC(C)C1)C1=N[N-]N=N1	REAL300020165828	0	46	-1.0	-52.54	401.50	7.55	-44.99
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CC(C)C1)C1=NN=N[N-]1	REAL300020165828	1	46	-1.0	-52.50	401.56	7.56	-44.94
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)OC2=CC=CC=C21	REAL300020165829	0	42	-1.0	-46.46	368.01	5.93	-40.53
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)OC2=CC=CC=C21	REAL300020165829	1	42	-1.0	-46.48	368.07	5.94	-40.54
CSCC[C@H](NC(=O)C(C)OCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165830	0	46	-1.0	-48.85	397.91	6.61	-42.24
CSCC[C@H](NC(=O)C(C)OCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165830	1	46	-1.0	-48.85	397.97	6.63	-42.22
CSCC[C@H](NC(=O)C1=CSC(C#N)=C1)C1=N[N-]N=N1	REAL300020165831	0	31	-1.0	-47.28	309.48	3.55	-43.73
CSCC[C@H](NC(=O)C1=CSC(C#N)=C1)C1=NN=N[N-]1	REAL300020165831	1	31	-1.0	-47.32	309.54	3.57	-43.75
C=CCOC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020165832	0	44	-1.0	-48.55	386.41	5.57	-42.98
C=CCOC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020165832	1	44	-1.0	-48.52	386.47	5.58	-42.94
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300020165833	0	36	-1.0	-44.77	352.94	1.95	-42.82
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300020165833	1	36	-1.0	-44.77	352.89	1.93	-42.84
CSCC[C@H](NC(=O)C1=CC=CC2=C1CCCC2)C1=N[N-]N=N1	REAL300020165834	0	43	-1.0	-47.81	354.49	6.56	-41.25
CSCC[C@H](NC(=O)C1=CC=CC2=C1CCCC2)C1=NN=N[N-]1	REAL300020165834	1	43	-1.0	-47.80	354.55	6.58	-41.22
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300020165835	0	43	-1.0	-56.47	384.70	1.46	-55.01
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300020165835	1	43	-1.0	-56.46	384.76	1.47	-54.99
COC(CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165836	0	43	-1.0	-47.22	367.51	5.33	-41.89
COC(CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165836	1	43	-1.0	-47.21	367.57	5.34	-41.87
CSCC[C@H](NC(=O)C1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL300020165837	0	36	-1.0	-45.04	337.09	3.20	-41.84
CSCC[C@H](NC(=O)C1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL300020165837	1	36	-1.0	-45.08	337.15	3.22	-41.86
CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020165838	0	47	-1.0	-50.41	397.58	5.68	-44.73
CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020165838	1	47	-1.0	-50.36	397.64	5.69	-44.67
CCOC(=O)C1=C(C)NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165839	0	43	-1.0	-47.46	381.05	3.99	-43.47
CCOC(=O)C1=C(C)NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165839	1	43	-1.0	-47.46	381.11	4.00	-43.46
CSCC[C@H](NC(=O)C[C@@H](CNC(C)=O)CC(C)C)C1=N[N-]N=N1	REAL300020165840	0	51	-1.0	-56.78	415.88	3.52	-53.26
CSCC[C@H](NC(=O)C[C@@H](CNC(C)=O)CC(C)C)C1=NN=N[N-]1	REAL300020165840	1	51	-1.0	-56.77	415.93	3.53	-53.24
CSCC[C@H](NC(=O)C1CCC1C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300020165841	0	43	-1.0	-48.37	381.48	6.89	-41.48
CSCC[C@H](NC(=O)C1CCC1C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300020165841	1	43	-1.0	-48.36	381.54	6.90	-41.46
CCOCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020165842	0	42	-1.0	-46.07	379.16	2.58	-43.49
CCOCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020165842	1	42	-1.0	-46.05	379.22	2.59	-43.46
CSCC[C@H](NC(=O)C1=COC2=C1C(=O)CCC2)C1=N[N-]N=N1	REAL300020165843	0	39	-1.0	-61.43	342.85	5.23	-56.20
CSCC[C@H](NC(=O)C1=COC2=C1C(=O)CCC2)C1=NN=N[N-]1	REAL300020165843	1	39	-1.0	-61.43	342.91	5.25	-56.18
CSCC[C@H](NC(=O)CC1=NC(C2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL300020165844	0	42	-1.0	-53.64	385.31	5.49	-48.15
CSCC[C@H](NC(=O)CC1=NC(C2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL300020165844	1	42	-1.0	-53.63	385.26	5.48	-48.15
CC=CCOC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165845	0	47	-1.0	-50.83	408.13	6.44	-44.39
CC=CCOC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165845	1	47	-1.0	-50.80	408.18	6.45	-44.35
CSCC[C@H](NC(=O)C1=C(Cl)N=C(N(C)C)S1)C1=NN=N[N-]1	REAL300020165846	0	37	-1.0	-49.37	354.41	3.34	-46.03
CSCC[C@H](NC(=O)C1=C(Cl)N=C(N(C)C)S1)C1=N[N-]N=N1	REAL300020165846	1	37	-1.0	-49.37	354.35	3.32	-46.05
CSCC[C@H](NC(=O)C1=NN(CCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020165847	0	46	-1.0	-50.06	405.93	6.52	-43.54
CSCC[C@H](NC(=O)C1=NN(CCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020165847	1	46	-1.0	-50.07	405.87	6.50	-43.57
CSCC[C@H](NC(=O)C1CCN(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020165848	0	45	-1.0	-47.04	373.09	4.27	-42.77
CSCC[C@H](NC(=O)C1CCN(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020165848	1	45	-1.0	-47.02	373.15	4.29	-42.73
CSCC[C@H](NC(=O)C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)C1=N[N-]N=N1	REAL300020165849	0	42	-1.0	-45.04	387.16	4.78	-40.26
CSCC[C@H](NC(=O)C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)C1=NN=N[N-]1	REAL300020165849	1	42	-1.0	-45.03	387.22	4.80	-40.23
CSCC[C@H](NC(=O)C1=CC=C(N2N=NN=C2C)C=C1F)C1=N[N-]N=N1	REAL300020165850	0	41	-1.0	-50.29	369.37	4.19	-46.10
CSCC[C@H](NC(=O)C1=CC=C(N2N=NN=C2C)C=C1F)C1=NN=N[N-]1	REAL300020165850	1	41	-1.0	-50.27	369.43	4.21	-46.06
CSCC[C@H](NC(=O)CC1=C(C2=CC=CC=C2)N=CS1)C1=NN=N[N-]1	REAL300020165851	0	42	-1.0	-49.81	378.18	5.17	-44.64
CSCC[C@H](NC(=O)CC1=C(C2=CC=CC=C2)N=CS1)C1=N[N-]N=N1	REAL300020165851	1	42	-1.0	-49.83	378.12	5.15	-44.68
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020165852	0	54	-1.0	-42.74	434.24	4.72	-38.02
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020165852	1	54	-1.0	-42.75	434.30	4.73	-38.02
CSCC[C@H](NC(=O)C1=NN2CCCC2=C1)C1=N[N-]N=N1	REAL300020165853	0	37	-1.0	-51.71	326.99	2.71	-49.00
CSCC[C@H](NC(=O)C1=NN2CCCC2=C1)C1=NN=N[N-]1	REAL300020165853	1	37	-1.0	-51.74	327.05	2.72	-49.02
CSCC[C@H](NC(=O)C1=CN(CC(C)C)N=C1C(F)F)C1=N[N-]N=N1	REAL300020165854	0	45	-1.0	-49.98	393.20	5.09	-44.89
CSCC[C@H](NC(=O)C1=CN(CC(C)C)N=C1C(F)F)C1=NN=N[N-]1	REAL300020165854	1	45	-1.0	-50.01	393.26	5.11	-44.90
CSCC[C@H](NC(=O)C1=CC=NN1CC(F)(F)F)C1=NN=N[N-]1	REAL300020165855	0	36	-1.0	-44.30	337.94	3.14	-41.16
CSCC[C@H](NC(=O)C1=CC=NN1CC(F)(F)F)C1=N[N-]N=N1	REAL300020165855	1	36	-1.0	-44.30	337.88	3.14	-41.16
COC(=O)C1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020165856	0	42	-1.0	-50.19	376.96	5.43	-44.76
COC(=O)C1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020165856	1	42	-1.0	-50.16	377.02	5.44	-44.72
COC1=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1O	REAL300020165857	0	41	-1.0	-50.33	362.42	1.89	-48.44
COC1=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1O	REAL300020165857	1	41	-1.0	-50.36	362.48	1.90	-48.46
CSCC[C@H](NC(=O)C(C)OCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020165858	0	43	-1.0	-50.31	382.04	5.96	-44.35
CSCC[C@H](NC(=O)C(C)OCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020165858	1	43	-1.0	-50.30	382.09	5.97	-44.33
CSCC[C@H](NC(=O)C1(C#N)CC12CCCC2)C1=N[N-]N=N1	REAL300020165859	0	41	-1.0	-40.48	352.35	5.16	-35.32
CSCC[C@H](NC(=O)C1(C#N)CC12CCCC2)C1=NN=N[N-]1	REAL300020165859	1	41	-1.0	-40.48	352.40	5.18	-35.30
CSCC[C@H](NC(=O)C1=C(C)NC(C#N)=C1)C1=N[N-]N=N1	REAL300020165860	0	35	-1.0	-45.58	323.70	2.78	-42.80
CSCC[C@H](NC(=O)C1=C(C)NC(C#N)=C1)C1=NN=N[N-]1	REAL300020165860	1	35	-1.0	-45.58	323.76	2.80	-42.78
CSCC[C@H](NC(=O)C1=C2CCCN2N=C1)C1=N[N-]N=N1	REAL300020165861	0	37	-1.0	-49.48	326.30	2.62	-46.86
CSCC[C@H](NC(=O)C1=C2CCCN2N=C1)C1=NN=N[N-]1	REAL300020165861	1	37	-1.0	-49.46	326.36	2.63	-46.83
CSCC[C@H](NC(=O)CCC[Si](C)(C)C)C1=N[N-]N=N1	REAL300020165862	0	44	-1.0	-46.88	377.11	7.17	-39.71
CSCC[C@H](NC(=O)CCC[Si](C)(C)C)C1=NN=N[N-]1	REAL300020165862	1	44	-1.0	-46.94	377.17	7.18	-39.76
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C(=O)N1)C1=N[N-]N=N1	REAL300020165863	0	36	-1.0	-43.59	339.35	2.10	-41.49
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C(=O)N1)C1=NN=N[N-]1	REAL300020165863	1	36	-1.0	-43.59	339.41	2.12	-41.47
CSCC[C@H](NC(=O)CCC1=CC=CC=C1N1CCOCC1)C1=N[N-]N=N1	REAL300020165864	0	52	-1.0	-45.99	428.90	5.00	-40.99
CSCC[C@H](NC(=O)CCC1=CC=CC=C1N1CCOCC1)C1=NN=N[N-]1	REAL300020165864	1	52	-1.0	-45.99	428.96	5.01	-40.98
CSCC[C@H](NC(=O)C1=CN=C(F)C(Br)=C1)C1=NN=N[N-]1	REAL300020165865	0	32	-1.0	-41.28	319.61	2.85	-38.43
CSCC[C@H](NC(=O)C1=CN=C(F)C(Br)=C1)C1=N[N-]N=N1	REAL300020165865	1	32	-1.0	-41.28	319.55	2.84	-38.44
CSCC[C@H](NC(=O)C(C#N)=CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020165866	0	38	-1.0	-45.06	348.65	3.24	-41.82
CSCC[C@H](NC(=O)C(C#N)=CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020165866	1	38	-1.0	-45.08	348.71	3.25	-41.83
CSCC[C@H](NC(=O)CCC1=C(O)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020165867	0	46	-1.0	-46.90	398.28	5.10	-41.80
CSCC[C@H](NC(=O)CCC1=C(O)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020165867	1	46	-1.0	-46.89	398.34	5.11	-41.78
CSCC[C@H](NC(=O)C1CCC2=NC=CN2C1)C1=N[N-]N=N1	REAL300020165868	0	40	-1.0	-45.45	342.25	4.20	-41.25
CSCC[C@H](NC(=O)C1CCC2=NC=CN2C1)C1=NN=N[N-]1	REAL300020165868	1	40	-1.0	-45.46	342.30	4.22	-41.24
CSCC[C@H](NC(=O)C1=CC(F)=C(C#N)C(F)=C1)C1=N[N-]N=N1	REAL300020165869	0	34	-1.0	-41.98	330.09	4.56	-37.42
CSCC[C@H](NC(=O)C1=CC(F)=C(C#N)C(F)=C1)C1=NN=N[N-]1	REAL300020165869	1	34	-1.0	-41.97	330.15	4.57	-37.40
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CN=CN1C)C1=N[N-]N=N1	REAL300020165870	0	40	-1.0	-47.27	353.23	5.31	-41.96
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CN=CN1C)C1=NN=N[N-]1	REAL300020165870	1	40	-1.0	-47.27	353.29	5.33	-41.94
CSCC[C@H](NC(=O)C1=CN(CC(O)CO)N=C1)C1=NN=N[N-]1	REAL300020165871	0	41	-1.0	-53.68	366.39	-2.75	-56.43
CSCC[C@H](NC(=O)C1=CN(CC(O)CO)N=C1)C1=N[N-]N=N1	REAL300020165871	1	41	-1.0	-53.70	366.33	-2.76	-56.46
CSCC[C@H](NC(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020165872	0	33	-1.0	-43.50	349.52	5.29	-38.21
CSCC[C@H](NC(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020165872	1	33	-1.0	-43.54	349.58	5.30	-38.24
CSCC[C@H](NC(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C1=N[N-]N=N1	REAL300020165873	0	44	-1.0	-66.37	385.31	3.96	-62.41
CSCC[C@H](NC(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C1=NN=N[N-]1	REAL300020165873	1	44	-1.0	-66.29	385.36	3.98	-62.31
CSCC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165874	0	47	-1.0	-65.97	394.54	6.28	-59.69
CSCC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165874	1	47	-1.0	-65.95	394.60	6.29	-59.66
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020165875	0	38	-1.0	-49.04	362.93	6.41	-42.63
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020165875	1	38	-1.0	-49.04	362.98	6.43	-42.61
CSCC[C@H](NC(=O)C1=NN(CCN2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020165876	0	43	-1.0	-51.07	386.92	3.73	-47.34
CSCC[C@H](NC(=O)C1=NN(CCN2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020165876	1	43	-1.0	-51.06	386.86	3.72	-47.34
CSCC[C@H](NC(=O)C1CCCC1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165877	0	46	-1.0	-47.18	381.84	7.21	-39.97
CSCC[C@H](NC(=O)C1CCCC1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165877	1	46	-1.0	-47.23	381.89	7.23	-40.00
CSCC[C@H](NC(=O)C(C)(C)C(C)(F)F)C1=N[N-]N=N1	REAL300020165878	0	38	-1.0	-52.32	323.61	3.62	-48.70
CSCC[C@H](NC(=O)C(C)(C)C(C)(F)F)C1=NN=N[N-]1	REAL300020165878	1	38	-1.0	-52.32	323.67	3.63	-48.69
CCN1C(=O)C[C@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)[C@H]1C1=CC=CN=C1	REAL300020165879	0	49	-1.0	-46.11	413.80	4.54	-41.57
CCN1C(=O)C[C@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)[C@H]1C1=CC=CN=C1	REAL300020165879	1	49	-1.0	-46.05	413.74	4.52	-41.53
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165880	0	46	-1.0	-42.96	382.45	2.25	-40.71
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165880	1	46	-1.0	-42.96	382.50	2.27	-40.69
CSCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165881	0	49	-1.0	-48.40	386.58	7.37	-41.03
CSCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165881	1	49	-1.0	-48.39	386.63	7.38	-41.01
CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020165882	0	45	-1.0	-42.31	365.66	2.61	-39.70
CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020165882	1	45	-1.0	-42.30	365.72	2.62	-39.68
CSCC[C@H](NC(=O)C1(C(F)(F)F)CCC1)C1=N[N-]N=N1	REAL300020165883	0	36	-1.0	-41.32	321.30	4.07	-37.25
CSCC[C@H](NC(=O)C1(C(F)(F)F)CCC1)C1=NN=N[N-]1	REAL300020165883	1	36	-1.0	-41.35	321.36	4.09	-37.26
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165884	0	55	-1.0	-44.53	439.87	5.73	-38.80
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165884	1	55	-1.0	-44.58	439.93	5.74	-38.84
CSCC[C@H](NC(=O)C1=C(NC2CC2)SN=C1C)C1=N[N-]N=N1	REAL300020165885	0	41	-1.0	-46.03	374.13	2.79	-43.24
CSCC[C@H](NC(=O)C1=C(NC2CC2)SN=C1C)C1=NN=N[N-]1	REAL300020165885	1	41	-1.0	-46.03	374.19	2.81	-43.22
CCN1N=C(C)C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020165886	0	45	-1.0	-49.44	384.84	4.37	-45.07
CCN1N=C(C)C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020165886	1	45	-1.0	-49.45	384.89	4.38	-45.07
CSCC[C@H](NC(=O)C1=CC2=CC=CC(F)=C2N=C1)C1=NN=N[N-]1	REAL300020165887	0	38	-1.0	-47.53	345.13	4.57	-42.96
CSCC[C@H](NC(=O)C1=CC2=CC=CC(F)=C2N=C1)C1=N[N-]N=N1	REAL300020165887	1	38	-1.0	-47.51	345.07	4.55	-42.96
CSCC[C@H](NC(=O)CC1=C(C)N(C)N=C1)C1=N[N-]N=N1	REAL300020165888	0	39	-1.0	-48.70	343.48	2.99	-45.71
CSCC[C@H](NC(=O)CC1=C(C)N(C)N=C1)C1=NN=N[N-]1	REAL300020165888	1	39	-1.0	-48.71	343.54	3.01	-45.70
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300020165889	0	40	-1.0	-47.01	382.61	7.19	-39.82
CSCC[C@H](NC(=O)C1=CSC(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300020165889	1	40	-1.0	-47.01	382.66	7.20	-39.81
CSCC[C@H](NC(=O)CC1=C(C)N(C(C)C)N=C1C)C1=N[N-]N=N1	REAL300020165890	0	48	-1.0	-49.65	405.65	5.07	-44.58
CSCC[C@H](NC(=O)CC1=C(C)N(C(C)C)N=C1C)C1=NN=N[N-]1	REAL300020165890	1	48	-1.0	-49.67	405.70	5.09	-44.58
CSCC[C@H](NC(=O)C1=C2OCCCN2N=C1)C1=NN=N[N-]1	REAL300020165891	0	38	-1.0	-52.90	334.26	1.28	-51.62
CSCC[C@H](NC(=O)C1=C2OCCCN2N=C1)C1=N[N-]N=N1	REAL300020165891	1	38	-1.0	-52.89	334.21	1.26	-51.63
CSCC[C@H](NC(=O)C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)C1=N[N-]N=N1	REAL300020165892	0	46	-1.0	-49.85	404.58	7.55	-42.30
CSCC[C@H](NC(=O)C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)C1=NN=N[N-]1	REAL300020165892	1	46	-1.0	-49.83	404.64	7.56	-42.27
COC1=CC(C(F)(F)F)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165893	0	40	-1.0	-47.52	363.87	5.64	-41.88
COC1=CC(C(F)(F)F)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165893	1	40	-1.0	-47.53	363.92	5.66	-41.87
CCC1=C(Br)C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020165894	0	36	-1.0	-44.32	352.30	5.21	-39.11
CCC1=C(Br)C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020165894	1	36	-1.0	-44.32	352.35	5.23	-39.09
CSCC[C@H](NC(=O)C1=NC=C(C#N)C=C1C)C1=NN=N[N-]1	REAL300020165895	0	36	-1.0	-44.02	331.67	3.46	-40.56
CSCC[C@H](NC(=O)C1=NC=C(C#N)C=C1C)C1=N[N-]N=N1	REAL300020165895	1	36	-1.0	-44.00	331.61	3.44	-40.56
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C(C)=C1)C1=N[N-]N=N1	REAL300020165896	0	40	-1.0	-45.53	358.76	5.97	-39.56
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C(C)=C1)C1=NN=N[N-]1	REAL300020165896	1	40	-1.0	-45.53	358.81	5.98	-39.55
COC1CCCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020165897	0	43	-1.0	-48.81	355.76	3.33	-45.48
COC1CCCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020165897	1	43	-1.0	-48.83	355.82	3.35	-45.48
CSCC[C@H](NC(=O)CC1=CSC=C1Br)C1=N[N-]N=N1	REAL300020165898	0	33	-1.0	-47.03	331.53	4.25	-42.78
CSCC[C@H](NC(=O)CC1=CSC=C1Br)C1=NN=N[N-]1	REAL300020165898	1	33	-1.0	-46.97	331.58	4.26	-42.71
CNC(=O)NCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165899	0	38	-1.0	-55.53	337.80	-1.25	-56.78
CNC(=O)NCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165899	1	38	-1.0	-55.59	337.86	-1.24	-56.83
CSCC[C@H](NC(=O)C1=C(NC2=CC=CC=C2)SC=N1)C1=NN=N[N-]1	REAL300020165900	0	41	-1.0	-48.48	372.31	3.96	-44.52
CSCC[C@H](NC(=O)C1=C(NC2=CC=CC=C2)SC=N1)C1=N[N-]N=N1	REAL300020165900	1	41	-1.0	-48.43	372.25	3.95	-44.48
CSCC[C@H](NC(=O)C1=CN(CCC2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300020165901	0	45	-1.0	-46.47	401.64	5.06	-41.41
CSCC[C@H](NC(=O)C1=CN(CCC2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300020165901	1	45	-1.0	-46.48	401.58	5.04	-41.44
CSCC[C@H](NC(=O)C1CCC(OCC2CCCO2)CC1)C1=N[N-]N=N1	REAL300020165902	0	54	-1.0	-46.61	434.59	4.67	-41.94
CSCC[C@H](NC(=O)C1CCC(OCC2CCCO2)CC1)C1=NN=N[N-]1	REAL300020165902	1	54	-1.0	-46.59	434.65	4.69	-41.90
CSCC[C@H](NC(=O)C1(C)CC1Br)C1=N[N-]N=N1	REAL300020165903	0	33	-1.0	-42.63	310.62	3.78	-38.85
CSCC[C@H](NC(=O)C1(C)CC1Br)C1=NN=N[N-]1	REAL300020165903	1	33	-1.0	-42.64	310.67	3.80	-38.84
CCOC1=NNC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165904	0	37	-1.0	-43.25	334.77	-0.70	-43.95
CCOC1=NNC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165904	1	37	-1.0	-43.21	334.82	-0.68	-43.89
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)CNC2=O)C1=N[N-]N=N1	REAL300020165905	0	42	-1.0	-49.91	371.98	0.11	-49.80
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)CNC2=O)C1=NN=N[N-]1	REAL300020165905	1	42	-1.0	-49.89	372.04	0.12	-49.77
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020165906	0	48	-1.0	-48.28	389.69	7.57	-40.71
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020165906	1	48	-1.0	-48.24	389.75	7.59	-40.65
CSCC[C@H](NC(=O)C1=CC(Br)=CC(N(C)C)=C1)C1=N[N-]N=N1	REAL300020165907	0	41	-1.0	-44.74	369.91	5.08	-39.66
CSCC[C@H](NC(=O)C1=CC(Br)=CC(N(C)C)=C1)C1=NN=N[N-]1	REAL300020165907	1	41	-1.0	-44.73	369.97	5.10	-39.63
CSCC[C@H](NC(=O)C1=CC(C#N)=CC(N(C)C)=C1)C1=N[N-]N=N1	REAL300020165908	0	42	-1.0	-45.70	369.79	4.88	-40.82
CSCC[C@H](NC(=O)C1=CC(C#N)=CC(N(C)C)=C1)C1=NN=N[N-]1	REAL300020165908	1	42	-1.0	-45.67	369.85	4.89	-40.78
CSCC[C@H](NC(=O)C1=C(C)N(C2=NN(C)C=C2)N=N1)C1=NN=N[N-]1	REAL300020165909	0	42	-1.0	-49.94	375.98	3.22	-46.72
CSCC[C@H](NC(=O)C1=C(C)N(C2=NN(C)C=C2)N=N1)C1=N[N-]N=N1	REAL300020165909	1	42	-1.0	-49.97	375.92	3.21	-46.76
CSCC[C@H](NC(=O)C1CCC2=CN=CN2C1)C1=N[N-]N=N1	REAL300020165910	0	40	-1.0	-46.48	342.05	4.93	-41.55
CSCC[C@H](NC(=O)C1CCC2=CN=CN2C1)C1=NN=N[N-]1	REAL300020165910	1	40	-1.0	-46.50	342.11	4.94	-41.56
CSCC[C@H](NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020165911	0	48	0.0	-75.17	398.36	6.82	-68.35
CSCC[C@H](NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020165911	1	48	0.0	-75.17	398.42	6.84	-68.33
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020165912	0	40	-1.0	-45.61	344.49	5.81	-39.80
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020165912	1	40	-1.0	-45.62	344.54	5.83	-39.79
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1CC1)C1=N[N-]N=N1	REAL300020165913	0	39	-1.0	-42.35	352.46	4.50	-37.85
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1CC1)C1=NN=N[N-]1	REAL300020165913	1	39	-1.0	-42.34	352.51	4.52	-37.82
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020165914	0	38	-1.0	-46.68	355.89	5.78	-40.90
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020165914	1	38	-1.0	-46.66	355.95	5.80	-40.86
CSCC[C@H](NC(=O)C(=O)N1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020165915	0	49	-1.0	-41.06	404.13	3.31	-37.75
CSCC[C@H](NC(=O)C(=O)N1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020165915	1	49	-1.0	-41.06	404.19	3.32	-37.74
CSCC[C@H](NC(=O)C1=NC=CN2C=CN=C12)C1=NN=N[N-]1	REAL300020165916	0	35	-1.0	-58.15	321.41	3.09	-55.06
CSCC[C@H](NC(=O)C1=NC=CN2C=CN=C12)C1=N[N-]N=N1	REAL300020165916	1	35	-1.0	-58.14	321.36	3.08	-55.06
CSCC[C@H](NC(=O)C1=NN(C(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300020165917	0	41	-1.0	-53.02	357.95	4.38	-48.64
CSCC[C@H](NC(=O)C1=NN(C(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300020165917	1	41	-1.0	-53.00	357.89	4.37	-48.63
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C=C2)CCOCC1)C1=N[N-]N=N1	REAL300020165918	0	50	-1.0	-50.74	401.55	5.67	-45.07
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C=C2)CCOCC1)C1=NN=N[N-]1	REAL300020165918	1	50	-1.0	-50.69	401.59	5.68	-45.01
CCCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NO1	REAL300020165919	0	38	-1.0	-44.79	341.16	3.74	-41.05
CCCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NO1	REAL300020165919	1	38	-1.0	-44.78	341.22	3.75	-41.03
COC1=CC=CC(C(=O)CCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165920	0	48	-1.0	-59.79	414.75	5.47	-54.32
COC1=CC=CC(C(=O)CCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165920	1	48	-1.0	-59.73	414.81	5.49	-54.24
CSCC[C@H](NC(=O)C1=C(N)N(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL300020165921	0	41	-1.0	-49.82	364.26	4.00	-45.82
CSCC[C@H](NC(=O)C1=C(N)N(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL300020165921	1	41	-1.0	-49.81	364.21	3.98	-45.83
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300020165922	0	40	-2.0	-116.57	382.46	3.83	-112.74
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300020165922	1	40	-2.0	-116.58	382.51	3.84	-112.74
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300020165923	0	40	-2.0	-115.90	375.48	3.35	-112.55
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300020165923	1	40	-2.0	-115.87	375.54	3.36	-112.51
COC(=O)CC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CS1	REAL300020165924	0	39	-1.0	-51.34	361.26	4.57	-46.77
COC(=O)CC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CS1	REAL300020165924	1	39	-1.0	-51.36	361.32	4.59	-46.77
CSCC[C@H](NC(=O)C1=C(C)N=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL300020165925	0	35	-1.0	-40.19	343.01	3.02	-37.17
CSCC[C@H](NC(=O)C1=C(C)N=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL300020165925	1	35	-1.0	-40.23	343.07	3.03	-37.20
CSCC[C@H](NC(=O)C1=CC=C(Cl)N=C1N)C1=NN=N[N-]1	REAL300020165926	0	34	-1.0	-42.40	319.33	1.89	-40.51
CSCC[C@H](NC(=O)C1=CC=C(Cl)N=C1N)C1=N[N-]N=N1	REAL300020165926	1	34	-1.0	-42.40	319.27	1.87	-40.53
CSCC[C@H](NC(=O)CC1=CNC2=CC=CC(Cl)=C12)C1=N[N-]N=N1	REAL300020165927	0	40	-1.0	-54.16	366.72	5.18	-48.98
CSCC[C@H](NC(=O)CC1=CNC2=CC=CC(Cl)=C12)C1=NN=N[N-]1	REAL300020165927	1	40	-1.0	-54.18	366.78	5.19	-48.99
CCC1=CC=C(C#CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020165928	0	41	-1.0	-45.96	372.19	6.88	-39.08
CCC1=CC=C(C#CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020165928	1	41	-1.0	-45.93	372.25	6.90	-39.03
CSCC[C@H](NC(=O)C1=CSC=C1C#N)C1=N[N-]N=N1	REAL300020165929	0	31	-1.0	-55.93	306.96	3.31	-52.62
CSCC[C@H](NC(=O)C1=CSC=C1C#N)C1=NN=N[N-]1	REAL300020165929	1	31	-1.0	-55.97	307.02	3.32	-52.65
CSCC[C@H](NC(=O)C1=CNN=C1C(C)(C)C)C1=N[N-]N=N1	REAL300020165930	0	42	-1.0	-46.91	348.80	2.94	-43.97
CSCC[C@H](NC(=O)C1=CNN=C1C(C)(C)C)C1=NN=N[N-]1	REAL300020165930	1	42	-1.0	-46.91	348.86	2.96	-43.95
CSCC[C@H](NC(=O)C1=CN=C(C(F)(F)F)C(C#N)=C1)C1=NN=N[N-]1	REAL300020165931	0	36	-1.0	-42.19	349.46	3.49	-38.70
CSCC[C@H](NC(=O)C1=CN=C(C(F)(F)F)C(C#N)=C1)C1=N[N-]N=N1	REAL300020165931	1	36	-1.0	-42.20	349.40	3.47	-38.73
CSCC[C@H](NC(=O)C1=CC=NC(NC(=O)C(C)C)=C1)C1=NN=N[N-]1	REAL300020165932	0	45	-1.0	-49.48	389.98	4.16	-45.32
CSCC[C@H](NC(=O)C1=CC=NC(NC(=O)C(C)C)=C1)C1=N[N-]N=N1	REAL300020165932	1	45	-1.0	-49.52	389.92	4.14	-45.38
CSCC[C@H](NC(=O)C1=CC=C(OC(F)F)C(F)=C1)C1=N[N-]N=N1	REAL300020165933	0	37	-1.0	-46.87	342.90	3.76	-43.11
CSCC[C@H](NC(=O)C1=CC=C(OC(F)F)C(F)=C1)C1=NN=N[N-]1	REAL300020165933	1	37	-1.0	-46.86	342.96	3.77	-43.09
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)N=C1C)C1=N[N-]N=N1	REAL300020165934	0	44	-1.0	-45.99	368.96	4.78	-41.21
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)N=C1C)C1=NN=N[N-]1	REAL300020165934	1	44	-1.0	-46.06	369.02	4.79	-41.27
CCC1=NC(C(C)C)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165935	0	47	-1.0	-45.07	387.56	5.49	-39.58
CCC1=NC(C(C)C)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165935	1	47	-1.0	-45.12	387.62	5.50	-39.62
CSCC[C@H](NC(=O)C1=CC=NC(N2CCCC(C)C2)=C1)C1=NN=N[N-]1	REAL300020165936	0	50	-1.0	-46.29	410.78	4.86	-41.43
CSCC[C@H](NC(=O)C1=CC=NC(N2CCCC(C)C2)=C1)C1=N[N-]N=N1	REAL300020165936	1	50	-1.0	-46.26	410.72	4.84	-41.42
CSCC[C@H](NC(=O)C1=NN(C)C=C1Br)C1=NN=N[N-]1	REAL300020165937	0	33	-1.0	-49.93	322.44	2.52	-47.41
CSCC[C@H](NC(=O)C1=NN(C)C=C1Br)C1=N[N-]N=N1	REAL300020165937	1	33	-1.0	-49.91	322.38	2.50	-47.41
CSCC[C@H](NC(=O)C1=CC=CC([N+](=O)[O-])=C1Cl)C1=N[N-]N=N1	REAL300020165938	0	35	-1.0	-51.91	333.97	5.12	-46.79
CSCC[C@H](NC(=O)C1=CC=CC([N+](=O)[O-])=C1Cl)C1=NN=N[N-]1	REAL300020165938	1	35	-1.0	-51.90	334.03	5.14	-46.76
CSCC[C@H](NC(=O)C=CCN(C)CC(F)(F)F)C1=N[N-]N=N1	REAL300020165939	0	41	-1.0	-46.46	366.98	2.60	-43.86
CSCC[C@H](NC(=O)C=CCN(C)CC(F)(F)F)C1=NN=N[N-]1	REAL300020165939	1	41	-1.0	-46.40	367.04	2.61	-43.79
CSCC[C@H](NC(=O)C(C)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020165940	0	42	-1.0	-48.36	364.12	3.96	-44.40
CSCC[C@H](NC(=O)C(C)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020165940	1	42	-1.0	-48.37	364.18	3.98	-44.39
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)C2(C)C)C1=N[N-]N=N1	REAL300020165941	0	44	-1.0	-48.87	380.75	3.61	-45.26
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)C2(C)C)C1=NN=N[N-]1	REAL300020165941	1	44	-1.0	-48.88	380.81	3.62	-45.26
CSCC[C@H](NC(=O)C1=CNN=C1S(N)(=O)=O)C1=N[N-]N=N1	REAL300020165942	0	35	-1.0	-55.07	328.57	-3.44	-58.51
CSCC[C@H](NC(=O)C1=CNN=C1S(N)(=O)=O)C1=NN=N[N-]1	REAL300020165942	1	35	-1.0	-55.09	328.63	-3.43	-58.52
CSCC[C@H](NC(=O)C1CC(O)(CCC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020165943	0	52	-1.0	-44.95	415.62	3.76	-41.19
CSCC[C@H](NC(=O)C1CC(O)(CCC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020165943	1	52	-1.0	-44.94	415.68	3.78	-41.16
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N=CO1)C1=NN=N[N-]1	REAL300020165944	0	39	-1.0	-48.68	351.64	2.35	-46.33
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N=CO1)C1=N[N-]N=N1	REAL300020165944	1	39	-1.0	-48.68	351.59	2.33	-46.35
CSCC[C@H](NC(=O)C(CS(C)(=O)=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020165945	0	45	-1.0	-50.61	399.55	2.78	-47.83
CSCC[C@H](NC(=O)C(CS(C)(=O)=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020165945	1	45	-1.0	-50.60	399.61	2.80	-47.80
CSCC[C@H](NC(=O)C1=CC=CC2=C1C(=O)OC2(C)C)C1=N[N-]N=N1	REAL300020165946	0	43	-1.0	-64.65	372.24	6.64	-58.01
CSCC[C@H](NC(=O)C1=CC=CC2=C1C(=O)OC2(C)C)C1=NN=N[N-]1	REAL300020165946	1	43	-1.0	-64.65	372.30	6.66	-57.99
CSCC[C@H](NC(=O)C(OC1=CC=CC=C1)C(C)(C)O)C1=N[N-]N=N1	REAL300020165947	0	47	-1.0	-47.62	388.85	2.45	-45.17
CSCC[C@H](NC(=O)C(OC1=CC=CC=C1)C(C)(C)O)C1=NN=N[N-]1	REAL300020165947	1	47	-1.0	-47.66	388.90	2.47	-45.19
CCOC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1	REAL300020165948	0	41	-1.0	-44.57	371.62	3.97	-40.60
CCOC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1	REAL300020165948	1	41	-1.0	-44.55	371.56	3.95	-40.60
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300020165949	0	38	-1.0	-44.27	356.87	5.89	-38.38
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300020165949	1	38	-1.0	-44.26	356.93	5.91	-38.35
CSCC[C@H](NC(=O)CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020165950	0	43	-1.0	-48.42	391.97	6.06	-42.36
CSCC[C@H](NC(=O)CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020165950	1	43	-1.0	-48.44	392.03	6.08	-42.36
CSCC[C@H](NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1=N[N-]N=N1	REAL300020165951	0	51	-1.0	-50.02	423.79	4.90	-45.12
CSCC[C@H](NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1=NN=N[N-]1	REAL300020165951	1	51	-1.0	-50.07	423.84	4.91	-45.16
CSCC[C@H](NC(=O)C(C)C1OCCC2=C1C=CS2)C1=N[N-]N=N1	REAL300020165952	0	44	-1.0	-46.60	378.85	5.55	-41.05
CSCC[C@H](NC(=O)C(C)C1OCCC2=C1C=CS2)C1=NN=N[N-]1	REAL300020165952	1	44	-1.0	-46.65	378.90	5.58	-41.07
CSCC[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020165953	0	51	-1.0	-50.42	415.98	5.58	-44.84
CSCC[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020165953	1	51	-1.0	-50.46	416.04	5.60	-44.86
CSCC[C@H](NC(=O)C1=NOC(CN2CCCC2)=C1)C1=N[N-]N=N1	REAL300020165954	0	44	-1.0	-45.58	378.62	2.08	-43.50
CSCC[C@H](NC(=O)C1=NOC(CN2CCCC2)=C1)C1=NN=N[N-]1	REAL300020165954	1	44	-1.0	-45.56	378.68	2.10	-43.46
CSCC[C@H](NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=NN=N[N-]1	REAL300020165954	1	45	0.0	-68.42	381.20	4.61	-63.81
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)N=CN2C)C1=NN=N[N-]1	REAL300020165955	0	39	-1.0	-55.42	345.88	5.45	-49.97
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)N=CN2C)C1=N[N-]N=N1	REAL300020165955	1	39	-1.0	-55.40	345.82	5.43	-49.97
CSCC[C@H](NC(=O)C(C)(O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020165956	0	40	-1.0	-42.23	361.83	2.80	-39.43
CSCC[C@H](NC(=O)C(C)(O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020165956	1	40	-1.0	-42.22	361.89	2.82	-39.40
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C=C1Cl)C1=N[N-]N=N1	REAL300020165957	0	33	-1.0	-41.88	332.61	5.17	-36.71
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C=C1Cl)C1=NN=N[N-]1	REAL300020165957	1	33	-1.0	-41.89	332.67	5.19	-36.70
CSCC[C@H](NC(=O)C1=C(Cl)C=NC=C1Cl)C1=NN=N[N-]1	REAL300020165958	0	32	-1.0	-43.64	328.04	3.06	-40.58
CSCC[C@H](NC(=O)C1=C(Cl)C=NC=C1Cl)C1=N[N-]N=N1	REAL300020165958	1	32	-1.0	-43.66	327.99	3.04	-40.62
COC1=CC(Cl)=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020165959	0	37	-1.0	-45.37	343.74	3.91	-41.46
COC1=CC(Cl)=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020165959	1	37	-1.0	-45.33	343.79	3.92	-41.41
C#CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020165960	0	42	-1.0	-47.04	376.07	5.66	-41.38
C#CCCOC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020165960	1	42	-1.0	-47.09	376.13	5.67	-41.42
CCN1N=C(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020165961	0	38	-1.0	-44.92	338.52	1.65	-43.27
CCN1N=C(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020165961	1	38	-1.0	-44.93	338.57	1.66	-43.27
CSCC[C@H](NC(=O)COC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300020165962	0	37	-1.0	-46.47	353.67	5.22	-41.25
CSCC[C@H](NC(=O)COC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300020165962	1	37	-1.0	-46.50	353.73	5.23	-41.27
COC1=CC=CC(N2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N=N2)=C1	REAL300020165963	0	43	-1.0	-48.38	384.42	3.09	-45.29
COC1=CC=CC(N2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N=N2)=C1	REAL300020165963	1	43	-1.0	-48.36	384.36	3.07	-45.29
CSCC[C@H](NC(=O)C1=C(Cl)SC(Cl)=N1)C1=NN=N[N-]1	REAL300020165964	0	29	-1.0	-42.92	315.85	2.29	-40.63
CSCC[C@H](NC(=O)C1=C(Cl)SC(Cl)=N1)C1=N[N-]N=N1	REAL300020165964	1	29	-1.0	-42.95	315.79	2.28	-40.67
CSCC[C@H](NC(=O)CC1=CN=CC(O)=C1)C1=N[N-]N=N1	REAL300020165965	0	36	-1.0	-47.54	328.04	0.11	-47.43
CSCC[C@H](NC(=O)CC1=CN=CC(O)=C1)C1=NN=N[N-]1	REAL300020165965	1	36	-1.0	-47.53	328.10	0.13	-47.40
CSCC[C@H](NC(=O)CCN1C(=O)CCNC1=S)C1=N[N-]N=N1	REAL300020165966	0	41	-1.0	-58.30	369.11	2.96	-55.34
CSCC[C@H](NC(=O)CCN1C(=O)CCNC1=S)C1=NN=N[N-]1	REAL300020165966	1	41	-1.0	-58.31	369.17	2.98	-55.33
CSCC[C@H](NC(=O)C1CCCN(S(N)(=O)=O)C1)C1=N[N-]N=N1	REAL300020165967	0	43	-1.0	-52.03	371.42	-1.94	-53.97
CSCC[C@H](NC(=O)C1CCCN(S(N)(=O)=O)C1)C1=NN=N[N-]1	REAL300020165967	1	43	-1.0	-52.07	371.48	-1.93	-54.00
CSCC[C@H](NC(=O)CCN1N=CN(C)C1=O)C1=N[N-]N=N1	REAL300020165968	0	39	-1.0	-52.98	351.78	3.73	-49.25
CSCC[C@H](NC(=O)CCN1N=CN(C)C1=O)C1=NN=N[N-]1	REAL300020165968	1	39	-1.0	-53.04	351.84	3.74	-49.30
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CN=C1C)C1=N[N-]N=N1	REAL300020165969	0	40	-1.0	-46.45	363.19	-2.14	-48.59
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CN=C1C)C1=NN=N[N-]1	REAL300020165969	1	40	-1.0	-46.46	363.25	-2.12	-48.58
CSCC[C@H](NC(=O)C1=CC=NC(C2=NC=CN2)=C1)C1=N[N-]N=N1	REAL300020165970	0	39	-1.0	-53.21	353.33	2.76	-50.45
CSCC[C@H](NC(=O)C1=CC=NC(C2=NC=CN2)=C1)C1=NN=N[N-]1	REAL300020165970	1	39	-1.0	-53.22	353.39	2.77	-50.45
CSCC[C@H](NC(=O)CN1N=NC2=C1CCCC2)C1=N[N-]N=N1	REAL300020165971	0	42	-1.0	-50.68	360.15	3.22	-47.46
CSCC[C@H](NC(=O)CN1N=NC2=C1CCCC2)C1=NN=N[N-]1	REAL300020165971	1	42	-1.0	-50.70	360.21	3.23	-47.47
CSCC[C@H](NC(=O)C1(S(N)(=O)=O)CC1)C1=N[N-]N=N1	REAL300020165972	0	35	-1.0	-58.20	322.24	-2.33	-60.53
CSCC[C@H](NC(=O)C1(S(N)(=O)=O)CC1)C1=NN=N[N-]1	REAL300020165972	1	35	-1.0	-58.19	322.30	-2.32	-60.51
CSCC[C@H](NC(=O)CCC1=CC=NC(C)=N1)C1=N[N-]N=N1	REAL300020165973	0	40	-1.0	-47.50	354.57	3.55	-43.95
CSCC[C@H](NC(=O)CCC1=CC=NC(C)=N1)C1=NN=N[N-]1	REAL300020165973	1	40	-1.0	-47.51	354.63	3.57	-43.94
CSCC[C@H](NC(=O)CCN1C=NC=CC1=O)C1=NN=N[N-]1	REAL300020165974	0	38	-1.0	-56.19	342.39	3.57	-52.62
CSCC[C@H](NC(=O)CCN1C=NC=CC1=O)C1=N[N-]N=N1	REAL300020165974	1	38	-1.0	-56.20	342.33	3.55	-52.65
CSCC[C@H](NC(=O)C1=CC=CC=C1NC(=O)C1CC1)C1=N[N-]N=N1	REAL300020165975	0	44	-1.0	-45.47	379.05	5.01	-40.46
CSCC[C@H](NC(=O)C1=CC=CC=C1NC(=O)C1CC1)C1=NN=N[N-]1	REAL300020165975	1	44	-1.0	-45.48	379.11	5.03	-40.45
CSCC[C@H](NC(=O)C1=CSC(C(C)=O)=C1)C1=N[N-]N=N1	REAL300020165976	0	35	-1.0	-54.05	331.49	3.60	-50.45
CSCC[C@H](NC(=O)C1=CSC(C(C)=O)=C1)C1=NN=N[N-]1	REAL300020165976	1	35	-1.0	-54.10	331.55	3.62	-50.48
CSCC[C@H](NC(=O)CC1CCCS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020165977	0	42	-1.0	-55.73	360.81	1.06	-54.67
CSCC[C@H](NC(=O)CC1CCCS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020165977	1	42	-1.0	-55.75	360.86	1.08	-54.67
COC1=CN=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1	REAL300020165978	0	35	-1.0	-49.85	320.14	0.87	-48.98
COC1=CN=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1	REAL300020165978	1	35	-1.0	-49.82	320.09	0.86	-48.96
COCCOCCC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N1	REAL300020165979	0	47	-1.0	-47.42	412.04	1.40	-46.02
COCCOCCC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N1	REAL300020165979	1	47	-1.0	-47.41	412.10	1.41	-46.00
CSCC[C@H](NC(=O)C(OC1=CC=C(Cl)C=C1)C(C)C)C1=N[N-]N=N1	REAL300020165980	0	46	-1.0	-46.08	397.81	6.93	-39.15
CSCC[C@H](NC(=O)C(OC1=CC=C(Cl)C=C1)C(C)C)C1=NN=N[N-]1	REAL300020165980	1	46	-1.0	-46.08	397.87	6.94	-39.14
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N2C=C(Cl)C=CC2=N1	REAL300020165981	0	42	-1.0	-47.51	387.66	6.15	-41.36
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N2C=C(Cl)C=CC2=N1	REAL300020165981	1	42	-1.0	-47.52	387.72	6.17	-41.35
CSCC[C@H](NC(=O)C1CC2CCC1CC2)C1=N[N-]N=N1	REAL300020165982	0	43	-1.0	-47.52	340.30	5.21	-42.31
CSCC[C@H](NC(=O)C1CC2CCC1CC2)C1=NN=N[N-]1	REAL300020165982	1	43	-1.0	-47.50	340.36	5.22	-42.28
COCN1C=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020165983	0	37	-1.0	-47.86	335.52	0.55	-47.31
COCN1C=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020165983	1	37	-1.0	-47.84	335.46	0.54	-47.30
CSCC[C@H](NC(=O)C(C)OCC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020165984	0	42	-1.0	-51.68	370.47	4.14	-47.54
CSCC[C@H](NC(=O)C(C)OCC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020165984	1	42	-1.0	-51.63	370.53	4.15	-47.48
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020165985	0	44	-1.0	-61.46	369.34	6.85	-54.61
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020165985	1	44	-1.0	-61.43	369.40	6.86	-54.57
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020165986	0	43	-1.0	-49.12	363.68	5.55	-43.57
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020165986	1	43	-1.0	-49.07	363.74	5.57	-43.50
CSCC[C@H](NC(=O)C1=CC2=C(F)C=CC(F)=C2N=C1)C1=NN=N[N-]1	REAL300020165987	0	38	-1.0	-46.88	350.72	4.60	-42.28
CSCC[C@H](NC(=O)C1=CC2=C(F)C=CC(F)=C2N=C1)C1=N[N-]N=N1	REAL300020165987	1	38	-1.0	-46.87	350.66	4.59	-42.28
CSCC[C@H](NC(=O)CC1=CNC2=CN=CC=C12)C1=N[N-]N=N1	REAL300020165988	0	39	-1.0	-53.83	348.79	3.06	-50.77
CSCC[C@H](NC(=O)CC1=CNC2=CN=CC=C12)C1=NN=N[N-]1	REAL300020165988	1	39	-1.0	-53.85	348.85	3.07	-50.78
CSCC[C@H](NC(=O)C1CCCN(C2=CC=CC=C2)C1=O)C1=N[N-]N=N1	REAL300020165989	0	47	-1.0	-47.06	398.18	6.13	-40.93
CSCC[C@H](NC(=O)C1CCCN(C2=CC=CC=C2)C1=O)C1=NN=N[N-]1	REAL300020165989	1	47	-1.0	-47.02	398.24	6.14	-40.88
CSCC[C@H](NC(=O)CCC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL300020165990	0	43	-1.0	-49.24	378.10	2.35	-46.89
CSCC[C@H](NC(=O)CCC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL300020165990	1	43	-1.0	-49.23	378.16	2.37	-46.86
CSCC[C@H](NC(=O)C(C)N(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300020165991	0	53	-1.0	-50.57	420.32	5.14	-45.43
CSCC[C@H](NC(=O)C(C)N(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300020165991	1	53	-1.0	-50.59	420.37	5.15	-45.44
CSCC[C@H](NC(=O)C1=NC=CC=C1Cl)C1=NN=N[N-]1	REAL300020165992	0	32	-1.0	-48.73	307.35	2.89	-45.84
CSCC[C@H](NC(=O)C1=NC=CC=C1Cl)C1=N[N-]N=N1	REAL300020165992	1	32	-1.0	-48.71	307.29	2.88	-45.83
CSCC[C@H](NC(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C1=N[N-]N=N1	REAL300020165993	0	40	-1.0	-46.14	372.09	6.50	-39.64
CSCC[C@H](NC(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C1=NN=N[N-]1	REAL300020165993	1	40	-1.0	-46.15	372.15	6.51	-39.64
CSCC[C@H](NC(=O)CCC1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020165994	0	56	-1.0	-52.34	450.70	5.68	-46.66
CSCC[C@H](NC(=O)CCC1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020165994	1	56	-1.0	-52.31	450.76	5.69	-46.62
CSCC[C@H](NC(=O)C1=NN2CCCNC2=N1)C1=NN=N[N-]1	REAL300020165995	0	38	-1.0	-53.31	335.49	3.08	-50.23
CSCC[C@H](NC(=O)C1=NN2CCCNC2=N1)C1=N[N-]N=N1	REAL300020165995	1	38	-1.0	-53.32	335.43	3.06	-50.26
CSCC[C@H](NC(=O)C1=C(C2CC2)OC=N1)C1=NN=N[N-]1	REAL300020165996	0	36	-1.0	-47.24	326.38	1.08	-46.16
CSCC[C@H](NC(=O)C1=C(C2CC2)OC=N1)C1=N[N-]N=N1	REAL300020165996	1	36	-1.0	-47.22	326.32	1.07	-46.15
CSCC[C@H](NC(=O)C1=C(F)C=CS1)C1=N[N-]N=N1	REAL300020165997	0	30	-1.0	-49.89	294.77	3.16	-46.73
CSCC[C@H](NC(=O)C1=C(F)C=CS1)C1=NN=N[N-]1	REAL300020165997	1	30	-1.0	-49.94	294.83	3.18	-46.76
COCC(C)C(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020165998	0	42	-1.0	-47.20	348.60	2.74	-44.46
COCC(C)C(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020165998	1	42	-1.0	-47.24	348.66	2.76	-44.48
COCCOCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020165999	0	47	-1.0	-49.34	408.08	4.04	-45.30
COCCOCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020165999	1	47	-1.0	-49.33	408.13	4.05	-45.28
CSCC[C@H](NC(=O)C1CCC2=CC=CC(O)=C21)C1=N[N-]N=N1	REAL300020166000	0	41	-1.0	-49.33	351.69	3.29	-46.04
CSCC[C@H](NC(=O)C1CCC2=CC=CC(O)=C21)C1=NN=N[N-]1	REAL300020166000	1	41	-1.0	-49.34	351.74	3.31	-46.03
CSCC[C@H](NC(=O)CCC1=NN(C)C=C1)C1=N[N-]N=N1	REAL300020166001	0	39	-1.0	-49.90	346.37	3.26	-46.64
CSCC[C@H](NC(=O)CCC1=NN(C)C=C1)C1=NN=N[N-]1	REAL300020166001	1	39	-1.0	-49.94	346.43	3.27	-46.67
CSCC[C@H](NC(=O)C1=CC=C2C(=O)CCCC2=C1)C1=N[N-]N=N1	REAL300020166002	0	42	-1.0	-47.18	362.34	5.69	-41.49
CSCC[C@H](NC(=O)C1=CC=C2C(=O)CCCC2=C1)C1=NN=N[N-]1	REAL300020166002	1	42	-1.0	-47.19	362.40	5.71	-41.48
COC1CCCCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166003	0	43	-1.0	-46.34	354.36	4.36	-41.98
COC1CCCCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166003	1	43	-1.0	-46.32	354.42	4.37	-41.95
CSCC[C@H](NC(=O)C1=C(C)C=CC(Br)=C1C)C1=N[N-]N=N1	REAL300020166004	0	39	-1.0	-44.37	358.34	5.53	-38.84
CSCC[C@H](NC(=O)C1=C(C)C=CC(Br)=C1C)C1=NN=N[N-]1	REAL300020166004	1	39	-1.0	-44.36	358.40	5.54	-38.82
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1Br)C1=N[N-]N=N1	REAL300020166005	0	33	-1.0	-48.35	319.51	4.74	-43.61
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1Br)C1=NN=N[N-]1	REAL300020166005	1	33	-1.0	-48.38	319.56	4.76	-43.62
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1Cl)C1=N[N-]N=N1	REAL300020166006	0	33	-1.0	-45.00	316.47	4.66	-40.34
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1Cl)C1=NN=N[N-]1	REAL300020166006	1	33	-1.0	-45.00	316.52	4.68	-40.32
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=C(C)ON=C2C)S1)C1=N[N-]N=N1	REAL300020166007	0	44	-1.0	-44.40	393.87	4.54	-39.86
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=C(C)ON=C2C)S1)C1=NN=N[N-]1	REAL300020166007	1	44	-1.0	-44.45	393.93	4.56	-39.89
CSCC[C@H](NC(=O)C1=CN(C2=CC=NC=C2)N=C1)C1=N[N-]N=N1	REAL300020166008	0	39	-1.0	-46.89	353.66	3.48	-43.41
CSCC[C@H](NC(=O)C1=CN(C2=CC=NC=C2)N=C1)C1=NN=N[N-]1	REAL300020166008	1	39	-1.0	-46.92	353.72	3.49	-43.43
CSCC[C@H](NC(=O)C1=NOC(CN2C=CC=N2)=C1)C1=N[N-]N=N1	REAL300020166009	0	39	-1.0	-52.37	360.55	3.20	-49.17
CSCC[C@H](NC(=O)C1=NOC(CN2C=CC=N2)=C1)C1=NN=N[N-]1	REAL300020166009	1	39	-1.0	-52.37	360.60	3.21	-49.16
CSCC[C@H](NC(=O)C1=CN(C(C)C)N=N1)C1=NN=N[N-]1	REAL300020166010	0	38	-1.0	-46.16	339.02	1.79	-44.37
CSCC[C@H](NC(=O)C1=CN(C(C)C)N=N1)C1=N[N-]N=N1	REAL300020166010	1	38	-1.0	-46.16	338.96	1.78	-44.38
CSCC[C@H](NC(=O)C1=NSC2=CC=C(C)C=C21)C1=NN=N[N-]1	REAL300020166011	0	38	-1.0	-47.76	349.63	4.76	-43.00
CSCC[C@H](NC(=O)C1=NSC2=CC=C(C)C=C21)C1=N[N-]N=N1	REAL300020166011	1	38	-1.0	-47.78	349.57	4.74	-43.04
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=CC=C1N)C1=N[N-]N=N1	REAL300020166012	0	43	-1.0	-51.68	386.61	-1.23	-52.91
CSCC[C@H](NC(=O)CNS(=O)(=O)C1=CC=CC=C1N)C1=NN=N[N-]1	REAL300020166012	1	43	-1.0	-51.73	386.67	-1.22	-52.95
CSCC[C@H](NC(=O)CCC1=NC=CC=N1)C1=N[N-]N=N1	REAL300020166013	0	37	-1.0	-49.28	333.52	2.76	-46.52
CSCC[C@H](NC(=O)CCC1=NC=CC=N1)C1=NN=N[N-]1	REAL300020166013	1	37	-1.0	-49.30	333.58	2.78	-46.52
CSCC[C@H](NC(=O)C(C)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300020166014	0	39	-1.0	-45.05	359.40	5.93	-39.12
CSCC[C@H](NC(=O)C(C)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300020166014	1	39	-1.0	-44.99	359.46	5.94	-39.05
CSCC[C@H](NC(=O)C1=CC2=CN=CC=C2O1)C1=NN=N[N-]1	REAL300020166015	0	35	-1.0	-44.18	323.63	2.76	-41.42
CSCC[C@H](NC(=O)C1=CC2=CN=CC=C2O1)C1=N[N-]N=N1	REAL300020166015	1	35	-1.0	-44.16	323.57	2.75	-41.41
CSCC[C@H](NC(=O)C(C)CC1=NC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL300020166016	0	46	-1.0	-48.52	393.07	5.06	-43.46
CSCC[C@H](NC(=O)C(C)CC1=NC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL300020166016	1	46	-1.0	-48.53	393.13	5.08	-43.45
CSCC[C@H](NC(=O)CCC1=CN=CS1)C1=NN=N[N-]1	REAL300020166017	0	35	-1.0	-45.24	328.37	2.81	-42.43
CSCC[C@H](NC(=O)CCC1=CN=CS1)C1=N[N-]N=N1	REAL300020166017	1	35	-1.0	-45.22	328.31	2.79	-42.43
COC(=O)C12CCC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)(CC1)CC2	REAL300020166018	0	49	-1.0	-47.71	396.61	5.67	-42.04
COC(=O)C12CCC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)(CC1)CC2	REAL300020166018	1	49	-1.0	-47.74	396.67	5.68	-42.06
CSCC[C@H](NC(=O)C1(CC2=CC=CC(F)=C2)CCOCC1)C1=N[N-]N=N1	REAL300020166019	0	50	-1.0	-45.45	401.87	5.70	-39.75
CSCC[C@H](NC(=O)C1(CC2=CC=CC(F)=C2)CCOCC1)C1=NN=N[N-]1	REAL300020166019	1	50	-1.0	-45.44	401.90	5.72	-39.72
CSCC[C@H](NC(=O)C1=C(C)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020166020	0	36	-1.0	-50.07	336.53	4.90	-45.17
CSCC[C@H](NC(=O)C1=C(C)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020166020	1	36	-1.0	-50.04	336.59	4.91	-45.13
CSCC[C@H](NC(=O)CC1=C(Br)C=CS1)C1=N[N-]N=N1	REAL300020166021	0	33	-1.0	-46.33	331.84	4.41	-41.92
CSCC[C@H](NC(=O)CC1=C(Br)C=CS1)C1=NN=N[N-]1	REAL300020166021	1	33	-1.0	-46.33	331.90	4.43	-41.90
COC1=CC=CC(OCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166022	0	44	-1.0	-46.34	381.52	3.69	-42.65
COC1=CC=CC(OCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166022	1	44	-1.0	-46.35	381.58	3.70	-42.65
CSCC[C@H](NC(=O)C1=CC=C(C2CC2)N=C1C)C1=N[N-]N=N1	REAL300020166023	0	42	-1.0	-45.43	358.57	4.99	-40.44
CSCC[C@H](NC(=O)C1=CC=C(C2CC2)N=C1C)C1=NN=N[N-]1	REAL300020166023	1	42	-1.0	-45.43	358.62	5.01	-40.42
COC1=CC=CC=C1C1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCCC1	REAL300020166024	0	53	-1.0	-49.91	414.81	7.18	-42.73
COC1=CC=CC=C1C1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCCC1	REAL300020166024	1	53	-1.0	-49.88	414.86	7.19	-42.69
CSCC[C@H](NC(=O)C1(C2=CC=C(N(C)C)C=C2)CC1)C1=N[N-]N=N1	REAL300020166025	0	48	-1.0	-47.25	401.12	6.21	-41.04
CSCC[C@H](NC(=O)C1(C2=CC=C(N(C)C)C=C2)CC1)C1=NN=N[N-]1	REAL300020166025	1	48	-1.0	-47.24	401.18	6.22	-41.02
CSCC[C@H](NC(=O)C1=C(NC2=CC=CN=C2)SC=N1)C1=N[N-]N=N1	REAL300020166026	0	40	-1.0	-49.27	367.07	2.19	-47.08
CSCC[C@H](NC(=O)C1=C(NC2=CC=CN=C2)SC=N1)C1=NN=N[N-]1	REAL300020166026	1	40	-1.0	-49.25	367.12	2.21	-47.04
CSCC[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1=N[N-]N=N1	REAL300020166027	0	44	-1.0	-53.63	378.69	4.00	-49.63
CSCC[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1=NN=N[N-]1	REAL300020166027	1	44	-1.0	-53.61	378.75	4.02	-49.59
CSCC[C@H](NC(=O)C1=CC=C2NC3=C(CN(C)CC3)C2=C1)C1=N[N-]N=N1	REAL300020166028	0	49	-1.0	-50.95	403.32	3.56	-47.39
CSCC[C@H](NC(=O)C1=CC=C2NC3=C(CN(C)CC3)C2=C1)C1=NN=N[N-]1	REAL300020166028	1	49	-1.0	-50.95	403.37	3.58	-47.37
CSCC[C@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C1=N[N-]N=N1	REAL300020166028	1	50	0.0	-72.75	410.67	6.43	-66.32
CSCC[C@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C1=N[N-]N=N1	REAL300020166028	1	50	0.0	-72.93	410.88	6.40	-66.53
CSCC[C@H](NC(=O)C1CCCC2=NNN=C21)C1=N[N-]N=N1	REAL300020166029	0	39	-1.0	-45.17	334.47	1.60	-43.57
CSCC[C@H](NC(=O)C1CCCC2=NNN=C21)C1=NN=N[N-]1	REAL300020166029	1	39	-1.0	-45.13	334.53	1.62	-43.51
CSCC[C@H](NC(=O)C1CCCC2=C1NN=N2)C1=N[N-]N=N1	REAL300020166029	1	39	-1.0	-43.05	330.09	1.82	-41.23
CSCC[C@H](NC(=O)C1CCCC2=C1NN=N2)C1=NN=N[N-]1	REAL300020166029	1	39	-1.0	-43.03	330.15	1.83	-41.20
CSCC[C@H](NC(=O)C1=CC=C(OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300020166030	0	45	-1.0	-45.84	375.22	3.36	-42.48
CSCC[C@H](NC(=O)C1=CC=C(OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300020166030	1	45	-1.0	-45.83	375.16	3.34	-42.49
CCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020166031	0	38	-1.0	-44.15	337.99	0.91	-43.24
CCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020166031	1	38	-1.0	-44.14	338.05	0.93	-43.21
CSCC[C@H](NC(=O)C1=CNC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020166032	0	34	-1.0	-48.93	325.69	2.93	-46.00
CSCC[C@H](NC(=O)C1=CNC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020166032	1	34	-1.0	-48.97	325.75	2.95	-46.02
CSCC[C@H](NC(=O)C1(Br)CC1)C1=N[N-]N=N1	REAL300020166033	0	30	-1.0	-41.56	292.74	3.22	-38.34
CSCC[C@H](NC(=O)C1(Br)CC1)C1=NN=N[N-]1	REAL300020166033	1	30	-1.0	-41.56	292.79	3.23	-38.33
CSCC[C@H](NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300020166034	0	53	-1.0	-47.29	420.43	5.27	-42.02
CSCC[C@H](NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300020166034	1	53	-1.0	-47.25	420.49	5.31	-41.94
CSCC[C@H](NC(=O)C1=C(F)C(C)=CC([N+](=O)[O-])=C1F)C1=N[N-]N=N1	REAL300020166035	0	38	-1.0	-54.13	360.37	5.28	-48.85
CSCC[C@H](NC(=O)C1=C(F)C(C)=CC([N+](=O)[O-])=C1F)C1=NN=N[N-]1	REAL300020166035	1	38	-1.0	-54.11	360.43	5.29	-48.82
CSCC[C@H](NC(=O)CC1=CC=NC(F)=C1)C1=N[N-]N=N1	REAL300020166036	0	35	-1.0	-47.04	323.47	2.94	-44.10
CSCC[C@H](NC(=O)CC1=CC=NC(F)=C1)C1=NN=N[N-]1	REAL300020166036	1	35	-1.0	-47.08	323.52	2.95	-44.13
CSCC[C@H](NC(=O)C1=NC2=CC=C(C)C=C2C=C1)C1=NN=N[N-]1	REAL300020166037	0	41	-1.0	-48.09	362.41	5.20	-42.89
CSCC[C@H](NC(=O)C1=NC2=CC=C(C)C=C2C=C1)C1=N[N-]N=N1	REAL300020166037	1	41	-1.0	-48.08	362.35	5.19	-42.89
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N1C	REAL300020166038	0	40	-1.0	-45.01	354.90	4.06	-40.95
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N1C	REAL300020166038	1	40	-1.0	-45.06	354.95	4.08	-40.98
CCS(=O)(=O)NC(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166039	0	40	-1.0	-50.53	357.90	-1.17	-51.70
CCS(=O)(=O)NC(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166039	1	40	-1.0	-50.50	357.96	-1.16	-51.66
CSCC[C@H](NC(=O)C1=CC(O)=CC=C1C)C1=N[N-]N=N1	REAL300020166040	0	37	-1.0	-45.58	324.61	1.91	-43.67
CSCC[C@H](NC(=O)C1=CC(O)=CC=C1C)C1=NN=N[N-]1	REAL300020166040	1	37	-1.0	-45.63	324.67	1.92	-43.71
CSCC[C@H](NC(=O)C1=CC(=O)NC(C2CC2)=N1)C1=N[N-]N=N1	REAL300020166041	0	39	-1.0	-49.99	350.59	2.44	-47.55
CSCC[C@H](NC(=O)C1=CC(=O)NC(C2CC2)=N1)C1=NN=N[N-]1	REAL300020166041	1	39	-1.0	-49.99	350.65	2.46	-47.53
COCC1=NOC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166042	0	36	-1.0	-47.57	328.65	1.17	-46.40
COCC1=NOC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166042	1	36	-1.0	-47.56	328.71	1.19	-46.37
CSCC[C@H](NC(=O)C1=CC=C2C(C)=CC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020166043	0	42	-1.0	-51.37	368.35	3.76	-47.61
CSCC[C@H](NC(=O)C1=CC=C2C(C)=CC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020166043	1	42	-1.0	-51.40	368.40	3.78	-47.62
CSCC[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)C1=N[N-]N=N1	REAL300020166044	0	43	-1.0	-41.86	360.56	-0.56	-42.42
CSCC[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)C1=NN=N[N-]1	REAL300020166044	1	43	-1.0	-41.83	360.62	-0.55	-42.38
CSCC[C@H](NC(=O)CC1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300020166045	0	36	-1.0	-45.91	343.76	5.30	-40.61
CSCC[C@H](NC(=O)CC1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300020166045	1	36	-1.0	-45.87	343.82	5.31	-40.56
COC(=O)CC(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166046	0	41	-1.0	-52.43	351.73	3.80	-48.63
COC(=O)CC(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166046	1	41	-1.0	-52.45	351.79	3.82	-48.63
CCC1C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCN1C(=O)OC(C)(C)C	REAL300020166047	0	56	-1.0	-47.53	435.53	5.58	-41.95
CCC1C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCN1C(=O)OC(C)(C)C	REAL300020166047	1	56	-1.0	-47.52	435.58	5.60	-41.92
CSCC[C@H](NC(=O)C(OC(C)C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166048	0	46	-1.0	-47.75	396.35	6.61	-41.14
CSCC[C@H](NC(=O)C(OC(C)C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166048	1	46	-1.0	-47.72	396.41	6.63	-41.09
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020166049	0	45	-1.0	-53.91	379.23	4.34	-49.57
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020166049	1	45	-1.0	-53.92	379.28	4.35	-49.57
CSCC[C@H](NC(=O)C1=C(C2CC2)N=CO1)C1=N[N-]N=N1	REAL300020166050	0	36	-1.0	-45.89	326.09	1.05	-44.84
CSCC[C@H](NC(=O)C1=C(C2CC2)N=CO1)C1=NN=N[N-]1	REAL300020166050	1	36	-1.0	-45.95	326.15	1.07	-44.88
CSCC[C@H](NC(=O)C(=O)NC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300020166051	0	37	-1.0	-42.90	357.59	2.89	-40.01
CSCC[C@H](NC(=O)C(=O)NC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300020166051	1	37	-1.0	-42.92	357.64	2.91	-40.01
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020166052	0	35	-1.0	-50.58	357.48	6.92	-43.66
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020166052	1	35	-1.0	-50.58	357.53	6.94	-43.64
CSCC[C@H](NC(=O)C1(F)CCCCC1)C1=N[N-]N=N1	REAL300020166053	0	39	-1.0	-41.49	327.85	4.33	-37.16
CSCC[C@H](NC(=O)C1(F)CCCCC1)C1=NN=N[N-]1	REAL300020166053	1	39	-1.0	-41.46	327.91	4.34	-37.12
CSCC[C@H](NC(=O)C1=CC=CC(C#N)=N1)C1=NN=N[N-]1	REAL300020166054	0	33	-1.0	-47.55	315.74	2.68	-44.87
CSCC[C@H](NC(=O)C1=CC=CC(C#N)=N1)C1=N[N-]N=N1	REAL300020166054	1	33	-1.0	-47.50	315.68	2.67	-44.83
CSCC[C@H](NC(=O)CCC1=CC=C(C)S1)C1=N[N-]N=N1	REAL300020166055	0	39	-1.0	-45.60	355.67	5.45	-40.15
CSCC[C@H](NC(=O)CCC1=CC=C(C)S1)C1=NN=N[N-]1	REAL300020166055	1	39	-1.0	-45.59	355.73	5.47	-40.12
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)N1)C1=N[N-]N=N1	REAL300020166056	0	36	-1.0	-47.80	327.90	2.19	-45.61
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)N1)C1=NN=N[N-]1	REAL300020166056	1	36	-1.0	-47.77	327.96	2.21	-45.56
CSCC[C@H](NC(=O)CC1CCCC(=O)N1)C1=N[N-]N=N1	REAL300020166057	0	40	-1.0	-50.54	339.93	1.42	-49.12
CSCC[C@H](NC(=O)CC1CCCC(=O)N1)C1=NN=N[N-]1	REAL300020166057	1	40	-1.0	-50.53	339.99	1.43	-49.10
CSCC[C@H](NC(=O)C1CCCSC1)C1=N[N-]N=N1	REAL300020166058	0	37	-1.0	-43.54	323.10	4.06	-39.48
CSCC[C@H](NC(=O)C1CCCSC1)C1=NN=N[N-]1	REAL300020166058	1	37	-1.0	-43.55	323.15	4.08	-39.47
CSCC[C@H](NC(=O)C1=CC=C(C2CCCC2)C=C1)C1=N[N-]N=N1	REAL300020166059	0	46	-1.0	-45.94	381.02	7.25	-38.69
CSCC[C@H](NC(=O)C1=CC=C(C2CCCC2)C=C1)C1=NN=N[N-]1	REAL300020166059	1	46	-1.0	-45.92	381.08	7.26	-38.66
CSCC[C@H](NC(=O)C1CCN(C2=CC=CC=C2Cl)C1)C1=N[N-]N=N1	REAL300020166060	0	45	-1.0	-44.98	388.05	4.82	-40.16
CSCC[C@H](NC(=O)C1CCN(C2=CC=CC=C2Cl)C1)C1=NN=N[N-]1	REAL300020166060	1	45	-1.0	-45.02	388.10	4.83	-40.19
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC=C2S1)C1=N[N-]N=N1	REAL300020166061	0	39	-1.0	-46.25	357.99	6.16	-40.09
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC=C2S1)C1=NN=N[N-]1	REAL300020166061	1	39	-1.0	-46.25	358.04	6.17	-40.08
CSCC[C@H](NC(=O)CCCC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020166062	0	42	-1.0	-46.97	377.74	6.72	-40.25
CSCC[C@H](NC(=O)CCCC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020166062	1	42	-1.0	-46.94	377.79	6.73	-40.21
CSCC[C@H](NC(=O)C1=NN2CCOC2=C1)C1=NN=N[N-]1	REAL300020166063	0	35	-1.0	-49.41	317.96	-0.17	-49.58
CSCC[C@H](NC(=O)C1=NN2CCOC2=C1)C1=N[N-]N=N1	REAL300020166063	1	35	-1.0	-49.40	317.90	-0.18	-49.58
CSCC[C@H](NC(=O)CCCN1C(C)=CC(=O)C=C1C)C1=N[N-]N=N1	REAL300020166064	0	48	-1.0	-60.80	401.49	5.72	-55.08
CSCC[C@H](NC(=O)CCCN1C(C)=CC(=O)C=C1C)C1=NN=N[N-]1	REAL300020166064	1	48	-1.0	-60.81	401.55	5.73	-55.08
CSCC[C@H](NC(=O)COC1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL300020166065	0	37	-1.0	-46.68	343.90	4.79	-41.89
CSCC[C@H](NC(=O)COC1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL300020166065	1	37	-1.0	-46.66	343.96	4.80	-41.86
CSCC[C@H](NC(=O)C1CCN(C2=CC=CC=C2F)C1)C1=N[N-]N=N1	REAL300020166066	0	45	-1.0	-45.49	379.85	4.29	-41.20
CSCC[C@H](NC(=O)C1CCN(C2=CC=CC=C2F)C1)C1=NN=N[N-]1	REAL300020166066	1	45	-1.0	-45.51	379.91	4.31	-41.20
COC(=O)CC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=CO1	REAL300020166067	0	42	-1.0	-47.54	381.60	4.28	-43.26
COC(=O)CC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=CO1	REAL300020166067	1	42	-1.0	-47.57	381.65	4.30	-43.27
CSCC[C@H](NC(=O)C1(C2=CC=CN=C2)CCCC1)C1=N[N-]N=N1	REAL300020166068	0	45	-1.0	-46.41	369.45	5.61	-40.80
CSCC[C@H](NC(=O)C1(C2=CC=CN=C2)CCCC1)C1=NN=N[N-]1	REAL300020166068	1	45	-1.0	-46.43	369.52	5.62	-40.81
CSCC[C@H](NC(=O)C1=CC=C(C2=CCCC2)C=C1)C1=N[N-]N=N1	REAL300020166069	0	44	-1.0	-45.91	378.23	7.42	-38.49
CSCC[C@H](NC(=O)C1=CC=C(C2=CCCC2)C=C1)C1=NN=N[N-]1	REAL300020166069	1	44	-1.0	-45.90	378.29	7.44	-38.46
C#CC1=CC=CC=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166070	0	38	-1.0	-49.21	347.32	5.83	-43.38
C#CC1=CC=CC=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166070	1	38	-1.0	-49.22	347.38	5.85	-43.37
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020166071	0	45	-1.0	-43.82	380.99	6.61	-37.21
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020166071	1	45	-1.0	-43.78	381.05	6.62	-37.16
CSCC[C@H](NC(=O)C1=CC2=NON=C2C=C1)C1=NN=N[N-]1	REAL300020166072	0	34	-1.0	-44.45	312.80	2.95	-41.50
CSCC[C@H](NC(=O)C1=CC2=NON=C2C=C1)C1=N[N-]N=N1	REAL300020166072	1	34	-1.0	-44.42	312.74	2.93	-41.49
CSCC[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1=N[N-]N=N1	REAL300020166073	0	35	-1.0	-58.39	317.82	-2.48	-60.87
CSCC[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1=NN=N[N-]1	REAL300020166073	1	35	-1.0	-58.45	317.88	-2.46	-60.91
CSCC[C@H](NC(=O)C1=CON=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020166074	0	32	-1.0	-48.69	311.39	2.52	-46.17
CSCC[C@H](NC(=O)C1=CON=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020166074	1	32	-1.0	-48.69	311.33	2.50	-46.19
CSCC[C@H](NC(=O)C1=NC(N)=NC(N(C)C)=N1)C1=NN=N[N-]1	REAL300020166075	0	40	-1.0	-48.42	357.26	4.84	-43.58
CSCC[C@H](NC(=O)C1=NC(N)=NC(N(C)C)=N1)C1=N[N-]N=N1	REAL300020166075	1	40	-1.0	-48.42	357.20	4.82	-43.60
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166076	0	49	-1.0	-54.42	413.60	4.97	-49.45
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166076	1	49	-1.0	-54.45	413.66	4.98	-49.47
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CNC(=O)C1)C1=N[N-]N=N1	REAL300020166077	0	44	-1.0	-50.86	376.81	2.59	-48.27
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CNC(=O)C1)C1=NN=N[N-]1	REAL300020166077	1	44	-1.0	-50.86	376.86	2.61	-48.25
CSCC[C@H](NC(=O)C=CCN1CCOCC1)C1=N[N-]N=N1	REAL300020166078	0	43	-1.0	-46.34	365.31	0.93	-45.41
CSCC[C@H](NC(=O)C=CCN1CCOCC1)C1=NN=N[N-]1	REAL300020166078	1	43	-1.0	-46.31	365.37	0.94	-45.37
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=NC=C1Cl)C1=NN=N[N-]1	REAL300020166079	0	38	-1.0	-52.89	367.25	0.22	-52.67
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=NC=C1Cl)C1=N[N-]N=N1	REAL300020166079	1	38	-1.0	-52.86	367.20	0.21	-52.65
CSCC[C@H](NC(=O)C1CCC2=NN=CN2C1)C1=N[N-]N=N1	REAL300020166080	0	39	-1.0	-47.48	336.79	4.89	-42.59
CSCC[C@H](NC(=O)C1CCC2=NN=CN2C1)C1=NN=N[N-]1	REAL300020166080	1	39	-1.0	-47.50	336.84	4.91	-42.59
CSCC[C@H](NC(=O)CN1C(=O)C(F)(F)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020166081	0	42	-1.0	-48.48	381.30	3.82	-44.66
CSCC[C@H](NC(=O)CN1C(=O)C(F)(F)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020166081	1	42	-1.0	-48.52	381.36	3.84	-44.68
COCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCOCC1	REAL300020166082	0	44	-1.0	-45.43	356.76	2.04	-43.39
COCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCOCC1	REAL300020166082	1	44	-1.0	-45.44	356.82	2.05	-43.39
CSCC[C@H](NC(=O)C1=NC=CC=C1CSC)C1=NN=N[N-]1	REAL300020166083	0	39	-1.0	-47.37	353.80	4.25	-43.12
CSCC[C@H](NC(=O)C1=NC=CC=C1CSC)C1=N[N-]N=N1	REAL300020166083	1	39	-1.0	-47.39	353.74	4.23	-43.16
CSCC[C@H](NC(=O)C1CCCCCC(=O)C1)C1=N[N-]N=N1	REAL300020166084	0	44	-1.0	-49.19	350.92	4.43	-44.76
CSCC[C@H](NC(=O)C1CCCCCC(=O)C1)C1=NN=N[N-]1	REAL300020166084	1	44	-1.0	-49.18	350.97	4.45	-44.73
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)C=N1)C1=NN=N[N-]1	REAL300020166085	0	41	-1.0	-46.34	355.20	4.25	-42.09
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)C=N1)C1=N[N-]N=N1	REAL300020166085	1	41	-1.0	-46.35	355.14	4.24	-42.11
CSCC[C@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020166086	0	55	-1.0	-51.74	435.51	2.54	-49.20
CSCC[C@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020166086	1	55	-1.0	-51.76	435.56	2.55	-49.21
CSCC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1=N[N-]N=N1	REAL300020166087	0	39	-1.0	-52.03	353.38	-2.31	-54.34
CSCC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1=NN=N[N-]1	REAL300020166087	1	39	-1.0	-52.06	353.44	-2.29	-54.35
CSCC[C@H](NC(=O)C1=C(Br)SC(C)=N1)C1=N[N-]N=N1	REAL300020166088	0	32	-1.0	-46.43	324.47	2.52	-43.91
CSCC[C@H](NC(=O)C1=C(Br)SC(C)=N1)C1=NN=N[N-]1	REAL300020166088	1	32	-1.0	-46.41	324.53	2.54	-43.87
C=CC(=O)N(CC)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166089	0	40	-1.0	-48.51	353.15	3.33	-45.18
C=CC(=O)N(CC)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166089	1	40	-1.0	-48.51	353.21	3.34	-45.17
CSCC[C@H](NC(=O)CC1=CN=CC=C1Cl)C1=NN=N[N-]1	REAL300020166090	0	35	-1.0	-47.80	331.57	3.42	-44.38
CSCC[C@H](NC(=O)CC1=CN=CC=C1Cl)C1=N[N-]N=N1	REAL300020166090	1	35	-1.0	-47.84	331.51	3.40	-44.44
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1CC1)C1=N[N-]N=N1	REAL300020166091	0	41	-1.0	-53.67	355.90	6.30	-47.37
CSCC[C@H](NC(=O)C1=CC=CC=C1OC1CC1)C1=NN=N[N-]1	REAL300020166091	1	41	-1.0	-53.69	355.96	6.31	-47.38
CSCC[C@H](NC(=O)C1=CN=C2NC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020166092	0	36	-1.0	-45.18	328.20	0.13	-45.05
CSCC[C@H](NC(=O)C1=CN=C2NC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020166092	1	36	-1.0	-45.21	328.26	0.15	-45.06
CSCC[C@H](NC(=O)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)C1=NN=N[N-]1	REAL300020166093	0	41	-1.0	-43.99	386.08	5.97	-38.02
CSCC[C@H](NC(=O)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]N=N1	REAL300020166093	1	41	-1.0	-43.95	386.02	5.95	-38.00
CCOC(=O)C(C)(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166094	0	44	-1.0	-42.79	370.87	4.60	-38.19
CCOC(=O)C(C)(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166094	1	44	-1.0	-42.82	370.93	4.61	-38.21
CCOC(=O)NC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=CS1	REAL300020166095	0	40	-1.0	-45.65	370.43	0.79	-44.86
CCOC(=O)NC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=CS1	REAL300020166095	1	40	-1.0	-45.67	370.49	0.80	-44.87
CSCC[C@H](NC(=O)C1=CC=NC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020166096	0	35	-1.0	-45.45	333.27	3.44	-42.01
CSCC[C@H](NC(=O)C1=CC=NC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020166096	1	35	-1.0	-45.44	333.22	3.42	-42.02
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C1=N[N-]N=N1	REAL300020166097	0	53	-1.0	-42.78	427.42	0.14	-42.64
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C1=NN=N[N-]1	REAL300020166097	1	53	-1.0	-42.82	427.49	0.15	-42.67
CSCC[C@H](NC(=O)C1=CC=CC2=C1NC(=O)N2)C1=N[N-]N=N1	REAL300020166098	0	37	-1.0	-52.52	331.03	1.09	-51.43
CSCC[C@H](NC(=O)C1=CC=CC2=C1NC(=O)N2)C1=NN=N[N-]1	REAL300020166098	1	37	-1.0	-52.54	331.09	1.10	-51.44
CSCC[C@H](NC(=O)C1=CN=CC(S(C)(=O)=O)=N1)C1=NN=N[N-]1	REAL300020166099	0	37	-1.0	-49.00	351.45	-2.13	-51.13
CSCC[C@H](NC(=O)C1=CN=CC(S(C)(=O)=O)=N1)C1=N[N-]N=N1	REAL300020166099	1	37	-1.0	-48.99	351.39	-2.15	-51.14
CSCC[C@H](NC(=O)C1=C(C)ON=C1CO)C1=N[N-]N=N1	REAL300020166100	0	36	-1.0	-45.70	332.28	-0.46	-46.16
CSCC[C@H](NC(=O)C1=C(C)ON=C1CO)C1=NN=N[N-]1	REAL300020166100	1	36	-1.0	-45.74	332.33	-0.44	-46.18
CSCC[C@H](NC(=O)C1=CC=C(NC2=NC(C)=CS2)C=C1)C1=NN=N[N-]1	REAL300020166101	0	44	-1.0	-47.54	394.46	5.12	-42.42
CSCC[C@H](NC(=O)C1=CC=C(NC2=NC(C)=CS2)C=C1)C1=N[N-]N=N1	REAL300020166101	1	44	-1.0	-47.51	394.40	5.11	-42.40
CSCC[C@H](NC(=O)C1=NC(N)=NC(N2CCOCC2)=N1)C1=NN=N[N-]1	REAL300020166102	0	45	-1.0	-47.40	389.28	2.70	-44.70
CSCC[C@H](NC(=O)C1=NC(N)=NC(N2CCOCC2)=N1)C1=N[N-]N=N1	REAL300020166102	1	45	-1.0	-47.47	389.23	2.69	-44.78
CSCC[C@H](NC(=O)C1=CN=C(OCC(F)F)C=N1)C1=NN=N[N-]1	REAL300020166103	0	38	-1.0	-45.67	356.66	0.25	-45.42
CSCC[C@H](NC(=O)C1=CN=C(OCC(F)F)C=N1)C1=N[N-]N=N1	REAL300020166103	1	38	-1.0	-45.67	356.60	0.24	-45.43
CSCC[C@H](NC(=O)C1=C(C(C)C)SC=N1)C1=NN=N[N-]1	REAL300020166104	0	38	-1.0	-47.42	342.66	3.25	-44.17
CSCC[C@H](NC(=O)C1=C(C(C)C)SC=N1)C1=N[N-]N=N1	REAL300020166104	1	38	-1.0	-47.42	342.61	3.24	-44.18
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2C)CCCC1)C1=N[N-]N=N1	REAL300020166105	0	49	-1.0	-49.36	388.91	7.18	-42.18
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2C)CCCC1)C1=NN=N[N-]1	REAL300020166105	1	49	-1.0	-49.33	388.96	7.20	-42.13
CSCC[C@H](NC(=O)C1=CN(C2CCOCC2)N=N1)C1=NN=N[N-]1	REAL300020166106	0	43	-1.0	-45.83	371.42	1.26	-44.57
CSCC[C@H](NC(=O)C1=CN(C2CCOCC2)N=N1)C1=N[N-]N=N1	REAL300020166106	1	43	-1.0	-45.76	371.37	1.24	-44.52
CSCC[C@H](NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C1=N[N-]N=N1	REAL300020166107	0	47	-1.0	-61.80	407.24	1.04	-60.76
CSCC[C@H](NC(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C1=NN=N[N-]1	REAL300020166107	1	47	-1.0	-61.81	407.29	1.06	-60.75
CSCC[C@H](NC(=O)C(CC1=CNC=N1)NC(=O)CC(C)C)C1=N[N-]N=N1	REAL300020166108	0	52	-1.0	-48.90	427.65	4.59	-44.31
CSCC[C@H](NC(=O)C(CC1=CNC=N1)NC(=O)CC(C)C)C1=NN=N[N-]1	REAL300020166108	1	52	-1.0	-48.89	427.71	4.61	-44.28
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCC(=O)NC1)C1=N[N-]N=N1	REAL300020166109	0	47	-1.0	-53.12	389.62	3.52	-49.60
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCC(=O)NC1)C1=NN=N[N-]1	REAL300020166109	1	47	-1.0	-53.14	389.68	3.52	-49.62
CSCC[C@H](NC(=O)C1=CC=CN=C1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020166110	0	42	-1.0	-54.83	369.30	3.56	-51.27
CSCC[C@H](NC(=O)C1=CC=CN=C1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020166110	1	42	-1.0	-54.85	369.24	3.54	-51.31
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020166111	0	40	-1.0	-46.47	359.29	4.54	-41.93
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020166111	1	40	-1.0	-46.48	359.35	4.55	-41.93
CSCC[C@H](NC(=O)C1=C(C)SN=C1C)C1=N[N-]N=N1	REAL300020166112	0	35	-1.0	-42.64	327.59	2.88	-39.76
CSCC[C@H](NC(=O)C1=C(C)SN=C1C)C1=NN=N[N-]1	REAL300020166112	1	35	-1.0	-42.65	327.65	2.89	-39.76
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC(=O)C1)C1=N[N-]N=N1	REAL300020166113	0	42	-1.0	-51.02	367.74	5.45	-45.57
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC(=O)C1)C1=NN=N[N-]1	REAL300020166113	1	42	-1.0	-51.08	367.80	5.47	-45.61
CSCC[C@H](NC(=O)C1=C(C)C=CC=C1Br)C1=N[N-]N=N1	REAL300020166114	0	36	-1.0	-49.33	340.81	4.99	-44.34
CSCC[C@H](NC(=O)C1=C(C)C=CC=C1Br)C1=NN=N[N-]1	REAL300020166114	1	36	-1.0	-49.30	340.87	5.01	-44.29
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2C=C1Cl)C1=NN=N[N-]1	REAL300020166115	0	38	-1.0	-48.89	353.50	5.06	-43.83
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2C=C1Cl)C1=N[N-]N=N1	REAL300020166115	1	38	-1.0	-48.83	353.44	5.05	-43.78
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=NO1)C1=NN=N[N-]1	REAL300020166116	0	32	-1.0	-38.83	317.57	2.48	-36.35
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=NO1)C1=N[N-]N=N1	REAL300020166116	1	32	-1.0	-38.93	317.51	2.46	-36.47
CSCC[C@H](NC(=O)C1=NC2=CN=CC=C2S1)C1=NN=N[N-]1	REAL300020166117	0	34	-1.0	-44.40	327.73	1.86	-42.54
CSCC[C@H](NC(=O)C1=NC2=CN=CC=C2S1)C1=N[N-]N=N1	REAL300020166117	1	34	-1.0	-44.40	327.68	1.85	-42.55
CCOC(=O)C(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)=O	REAL300020166118	0	43	-1.0	-44.59	380.71	3.94	-40.65
CCOC(=O)C(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)=O	REAL300020166118	1	43	-1.0	-44.59	380.77	3.96	-40.63
CSCC[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=N[N-]N=N1	REAL300020166119	0	50	0.0	-66.52	397.51	6.14	-60.38
CSCC[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=NN=N[N-]1	REAL300020166119	1	50	0.0	-66.52	397.57	6.15	-60.37
COC1=C(Cl)C=C2NC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C2=C1	REAL300020166120	0	41	-1.0	-53.12	375.39	3.91	-49.21
COC1=C(Cl)C=C2NC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C2=C1	REAL300020166120	1	41	-1.0	-53.16	375.45	3.93	-49.23
CSCC[C@H](NC(=O)C1CC(C2=CC=CC=C2)OC1=O)C1=N[N-]N=N1	REAL300020166121	0	43	-1.0	-42.31	378.19	6.02	-36.29
CSCC[C@H](NC(=O)C1CC(C2=CC=CC=C2)OC1=O)C1=NN=N[N-]1	REAL300020166121	1	43	-1.0	-42.29	378.24	6.04	-36.25
CSCC[C@H](NC(=O)C1=CC2=CC=CC(C)=C2S1)C1=N[N-]N=N1	REAL300020166122	0	39	-1.0	-46.79	356.92	6.13	-40.66
CSCC[C@H](NC(=O)C1=CC2=CC=CC(C)=C2S1)C1=NN=N[N-]1	REAL300020166122	1	39	-1.0	-46.81	356.98	6.14	-40.67
CSCC[C@H](NC(=O)C1=C(Br)N=NN1C)C1=NN=N[N-]1	REAL300020166123	0	32	-1.0	-45.11	319.37	0.85	-44.26
CSCC[C@H](NC(=O)C1=C(Br)N=NN1C)C1=N[N-]N=N1	REAL300020166123	1	32	-1.0	-45.09	319.32	0.83	-44.26
CSCC[C@H](NC(=O)C1=C(F)C=C(C(F)(F)F)C=C1F)C1=N[N-]N=N1	REAL300020166124	0	36	-1.0	-45.76	352.48	5.04	-40.72
CSCC[C@H](NC(=O)C1=C(F)C=C(C(F)(F)F)C=C1F)C1=NN=N[N-]1	REAL300020166124	1	36	-1.0	-45.77	352.54	5.05	-40.72
CSCC[C@H](NC(=O)C1=CN(CCF)N=C1)C1=NN=N[N-]1	REAL300020166125	0	36	-1.0	-46.16	330.74	2.85	-43.31
CSCC[C@H](NC(=O)C1=CN(CCF)N=C1)C1=N[N-]N=N1	REAL300020166125	1	36	-1.0	-46.15	330.68	2.83	-43.32
CCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1O	REAL300020166126	0	40	-1.0	-47.81	350.07	2.75	-45.06
CCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1O	REAL300020166126	1	40	-1.0	-47.83	350.13	2.76	-45.07
CSCC[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020166127	0	49	0.0	-60.66	402.61	6.95	-53.71
CSCC[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020166127	1	49	0.0	-60.62	402.79	7.01	-53.61
CSCC[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020166127	1	49	0.0	-60.64	402.55	6.93	-53.71
CSCC[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020166127	1	49	0.0	-60.58	402.73	6.99	-53.59
CSCC[C@H](NC(=O)C1=NC=C(Br)S1)C1=NN=N[N-]1	REAL300020166128	0	29	-1.0	-44.51	306.65	1.88	-42.63
CSCC[C@H](NC(=O)C1=NC=C(Br)S1)C1=N[N-]N=N1	REAL300020166128	1	29	-1.0	-44.48	306.59	1.87	-42.61
CSCC[C@H](NC(=O)C1=CC=CC2=C1NC(=O)C=C2)C1=NN=N[N-]1	REAL300020166129	0	39	-1.0	-58.34	344.04	3.51	-54.83
CSCC[C@H](NC(=O)C1=CC=CC2=C1NC(=O)C=C2)C1=N[N-]N=N1	REAL300020166129	1	39	-1.0	-58.28	343.99	3.50	-54.78
CSCC[C@H](NC(=O)CCOC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020166130	0	46	-1.0	-46.49	398.04	6.68	-39.81
CSCC[C@H](NC(=O)CCOC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020166130	1	46	-1.0	-46.53	398.10	6.69	-39.84
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N1	REAL300020166131	0	37	-1.0	-44.44	341.63	2.43	-42.01
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N1	REAL300020166131	1	37	-1.0	-44.46	341.69	2.44	-42.02
CSCC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300020166132	0	52	-1.0	-44.10	418.57	3.17	-40.93
CSCC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300020166132	1	52	-1.0	-44.08	418.63	3.19	-40.89
CSCC[C@H](NC(=O)C1=C2N=CN(C)C2=NC=C1)C1=NN=N[N-]1	REAL300020166133	0	38	-1.0	-57.60	340.71	4.72	-52.88
CSCC[C@H](NC(=O)C1=C2N=CN(C)C2=NC=C1)C1=N[N-]N=N1	REAL300020166133	1	38	-1.0	-57.60	340.65	4.71	-52.89
CSCC[C@H](NC(=O)C1=C(C2CC2)N=NS1)C1=N[N-]N=N1	REAL300020166134	0	35	-1.0	-41.76	329.03	2.86	-38.90
CSCC[C@H](NC(=O)C1=C(C2CC2)N=NS1)C1=NN=N[N-]1	REAL300020166134	1	35	-1.0	-41.67	329.09	2.88	-38.79
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1CC1)C1=N[N-]N=N1	REAL300020166135	0	40	-1.0	-50.30	352.20	4.01	-46.29
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1CC1)C1=NN=N[N-]1	REAL300020166135	1	40	-1.0	-50.34	352.25	4.02	-46.32
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)CSC2=C1)C1=N[N-]N=N1	REAL300020166136	0	39	-1.0	-48.29	357.50	3.13	-45.16
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)CSC2=C1)C1=NN=N[N-]1	REAL300020166136	1	39	-1.0	-48.29	357.56	3.14	-45.15
CCCC1=NN=C(SCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N1N	REAL300020166137	0	44	-1.0	-46.79	399.05	3.82	-42.97
CCCC1=NN=C(SCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N1N	REAL300020166137	1	44	-1.0	-46.82	399.11	3.84	-42.98
CCCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020166138	0	41	-1.0	-43.88	359.49	1.68	-42.20
CCCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020166138	1	41	-1.0	-43.87	359.54	1.70	-42.17
CSCC[C@H](NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1C)C1=N[N-]N=N1	REAL300020166139	0	56	-1.0	-50.43	436.61	5.39	-45.04
CSCC[C@H](NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1C)C1=NN=N[N-]1	REAL300020166139	1	56	-1.0	-50.44	436.66	5.41	-45.03
CSCC[C@H](NC(=O)C12CCC(C(F)(F)F)(CC1)CC2)C1=N[N-]N=N1	REAL300020166140	0	46	-1.0	-44.43	377.88	5.90	-38.53
CSCC[C@H](NC(=O)C12CCC(C(F)(F)F)(CC1)CC2)C1=NN=N[N-]1	REAL300020166140	1	46	-1.0	-44.46	377.94	5.91	-38.55
CSCC[C@H](NC(=O)CC1=CC=C(C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020166141	0	41	-1.0	-46.95	369.04	6.06	-40.89
CSCC[C@H](NC(=O)CC1=CC=C(C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020166141	1	41	-1.0	-46.94	369.10	6.08	-40.86
CSCC[C@H](NC(=O)C1=CC=C2OCC(C)(C)C2=C1)C1=N[N-]N=N1	REAL300020166142	0	44	-1.0	-47.25	374.32	5.05	-42.20
CSCC[C@H](NC(=O)C1=CC=C2OCC(C)(C)C2=C1)C1=NN=N[N-]1	REAL300020166142	1	44	-1.0	-47.23	374.38	5.07	-42.16
CSCC[C@H](NC(=O)CC1=CC=C(C)N=C1Cl)C1=N[N-]N=N1	REAL300020166143	0	38	-1.0	-47.01	352.70	3.93	-43.08
CSCC[C@H](NC(=O)CC1=CC=C(C)N=C1Cl)C1=NN=N[N-]1	REAL300020166143	1	38	-1.0	-46.98	352.76	3.94	-43.04
CSCC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300020166144	0	48	0.0	-61.73	376.61	5.35	-56.38
CSCC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300020166144	1	48	0.0	-61.80	376.67	5.36	-56.44
CSCC[C@H](NC(=O)C12CCC(F)(CC1)CC2)C1=N[N-]N=N1	REAL300020166145	0	43	-1.0	-44.51	348.90	5.20	-39.31
CSCC[C@H](NC(=O)C12CCC(F)(CC1)CC2)C1=NN=N[N-]1	REAL300020166145	1	43	-1.0	-44.50	348.95	5.22	-39.28
CSCC[C@H](NC(=O)C1CCOC(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020166146	0	45	-1.0	-49.44	379.27	5.15	-44.29
CSCC[C@H](NC(=O)C1CCOC(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020166146	1	45	-1.0	-49.44	379.33	5.17	-44.27
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CC(=O)C1)C1=N[N-]N=N1	REAL300020166147	0	42	-1.0	-46.47	384.63	5.92	-40.55
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2)CC(=O)C1)C1=NN=N[N-]1	REAL300020166147	1	42	-1.0	-46.48	384.69	5.93	-40.55
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)C(C)C)C1=N[N-]N=N1	REAL300020166148	0	43	-1.0	-45.45	371.13	-1.52	-46.97
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)C(C)C)C1=NN=N[N-]1	REAL300020166148	1	43	-1.0	-45.45	371.19	-1.51	-46.96
CSCC[C@H](NC(=O)C1CCC2=C(C1)N(C)N=N2)C1=N[N-]N=N1	REAL300020166149	0	42	-1.0	-47.20	356.82	2.82	-44.38
CSCC[C@H](NC(=O)C1CCC2=C(C1)N(C)N=N2)C1=NN=N[N-]1	REAL300020166149	1	42	-1.0	-47.18	356.88	2.84	-44.34
COC1=CC=CC2=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NN=C21	REAL300020166150	0	40	-1.0	-47.96	354.02	2.10	-45.86
COC1=CC=CC2=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NN=C21	REAL300020166150	1	40	-1.0	-47.93	354.08	2.11	-45.82
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=N[N-]N=N1	REAL300020166151	0	40	-2.0	-119.05	365.73	3.31	-115.74
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=NN=N[N-]1	REAL300020166151	1	40	-2.0	-119.05	365.78	3.32	-115.73
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CN1C	REAL300020166152	0	40	-1.0	-50.04	345.01	4.89	-45.15
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CN1C	REAL300020166152	1	40	-1.0	-50.03	345.07	4.90	-45.13
CSCC[C@H](NC(=O)C1(CC2=CC=CC(F)=C2)CCCCC1)C1=N[N-]N=N1	REAL300020166153	0	52	-1.0	-45.68	411.41	8.16	-37.52
CSCC[C@H](NC(=O)C1(CC2=CC=CC(F)=C2)CCCCC1)C1=NN=N[N-]1	REAL300020166153	1	52	-1.0	-45.71	411.46	8.17	-37.54
CSCC[C@H](NC(=O)C(F)C1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020166154	0	50	-1.0	-52.80	420.03	4.07	-48.73
CSCC[C@H](NC(=O)C(F)C1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020166154	1	50	-1.0	-52.80	420.09	4.09	-48.71
CSCC[C@H](NC(=O)C1(CC2=CC=CS2)CCCCC1)C1=N[N-]N=N1	REAL300020166155	0	49	-1.0	-47.93	398.41	7.33	-40.60
CSCC[C@H](NC(=O)C1(CC2=CC=CS2)CCCCC1)C1=NN=N[N-]1	REAL300020166155	1	49	-1.0	-47.97	398.46	7.34	-40.63
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Cl)N=C1C)C1=N[N-]N=N1	REAL300020166156	0	35	-1.0	-39.90	340.90	3.83	-36.07
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Cl)N=C1C)C1=NN=N[N-]1	REAL300020166156	1	35	-1.0	-39.94	340.96	3.84	-36.10
CSCC[C@H](NC(=O)C1=CN=CC=C1C#N)C1=NN=N[N-]1	REAL300020166157	0	33	-1.0	-51.82	310.17	2.58	-49.24
CSCC[C@H](NC(=O)C1=CN=CC=C1C#N)C1=N[N-]N=N1	REAL300020166157	1	33	-1.0	-51.82	310.11	2.56	-49.26
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC(C)=NO2)N=N1)C1=N[N-]N=N1	REAL300020166158	0	44	-1.0	-50.77	393.82	2.96	-47.81
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC(C)=NO2)N=N1)C1=NN=N[N-]1	REAL300020166158	1	44	-1.0	-50.78	393.87	2.98	-47.80
CSCC[C@H](NC(=O)CN1C=C(Cl)C=N1)C1=NN=N[N-]1	REAL300020166159	0	33	-1.0	-49.22	319.50	2.72	-46.50
CSCC[C@H](NC(=O)CN1C=C(Cl)C=N1)C1=N[N-]N=N1	REAL300020166159	1	33	-1.0	-49.22	319.44	2.71	-46.51
CSCC[C@H](NC(=O)C1=CN=C(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020166160	0	43	-1.0	-43.65	369.46	4.08	-39.57
CSCC[C@H](NC(=O)C1=CN=C(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020166160	1	43	-1.0	-43.65	369.40	4.07	-39.58
CCOC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020166161	0	42	-1.0	-45.40	374.14	5.69	-39.71
CCOC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020166161	1	42	-1.0	-45.38	374.20	5.70	-39.68
CSCC[C@H](NC(=O)C1=C(C)C2=CC=C(F)C=C2S1)C1=N[N-]N=N1	REAL300020166162	0	39	-1.0	-44.02	357.65	6.18	-37.84
CSCC[C@H](NC(=O)C1=C(C)C2=CC=C(F)C=C2S1)C1=NN=N[N-]1	REAL300020166162	1	39	-1.0	-44.00	357.71	6.20	-37.80
CSCC[C@H](NC(=O)C(O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020166163	0	37	-1.0	-44.07	346.48	3.34	-40.73
CSCC[C@H](NC(=O)C(O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020166163	1	37	-1.0	-44.07	346.54	3.36	-40.71
CSCC[C@H](NC(=O)C1=CN=NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020166164	0	41	-1.0	-44.38	364.75	4.81	-39.57
CSCC[C@H](NC(=O)C1=CN=NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020166164	1	41	-1.0	-44.39	364.81	4.82	-39.57
COC1=CC=C(C2=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N=CO2)C=C1	REAL300020166165	0	43	-1.0	-48.81	382.96	1.81	-47.00
COC1=CC=C(C2=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N=CO2)C=C1	REAL300020166165	1	43	-1.0	-48.81	382.91	1.80	-47.01
CSCC[C@H](NC(=O)C1(C(F)F)CCCC1)C1=N[N-]N=N1	REAL300020166166	0	39	-1.0	-44.71	334.11	4.38	-40.33
CSCC[C@H](NC(=O)C1(C(F)F)CCCC1)C1=NN=N[N-]1	REAL300020166166	1	39	-1.0	-44.73	334.16	4.40	-40.33
CSCC[C@H](NC(=O)C(C)CC1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020166167	0	47	-1.0	-48.57	389.81	6.14	-42.43
CSCC[C@H](NC(=O)C(C)CC1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020166167	1	47	-1.0	-48.57	389.87	6.15	-42.42
CSCC[C@H](NC(=O)CC1=NN=C(C2=CC=CC=C2)N1C)C1=N[N-]N=N1	REAL300020166168	0	45	-1.0	-61.81	392.06	6.11	-55.70
CSCC[C@H](NC(=O)CC1=NN=C(C2=CC=CC=C2)N1C)C1=NN=N[N-]1	REAL300020166168	1	45	-1.0	-61.80	392.12	6.13	-55.67
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CC=N1)C1=N[N-]N=N1	REAL300020166169	0	39	-1.0	-54.69	350.72	3.06	-51.63
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CC=N1)C1=NN=N[N-]1	REAL300020166169	1	39	-1.0	-54.69	350.78	3.08	-51.61
CSCC[C@H](NC(=O)CC1=C(C(C)=O)OC2=CC(C)=CC=C21)C1=N[N-]N=N1	REAL300020166170	0	47	-1.0	-54.44	411.43	6.39	-48.05
CSCC[C@H](NC(=O)CC1=C(C(C)=O)OC2=CC(C)=CC=C21)C1=NN=N[N-]1	REAL300020166170	1	47	-1.0	-54.44	411.49	6.40	-48.04
CSCC[C@H](NC(=O)CCSC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020166171	0	40	-1.0	-43.69	379.09	6.54	-37.15
CSCC[C@H](NC(=O)CCSC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020166171	1	40	-1.0	-43.71	379.14	6.55	-37.16
CSCC[C@H](NC(=O)C1=CN=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020166172	0	35	-1.0	-43.31	331.70	3.31	-40.00
CSCC[C@H](NC(=O)C1=CN=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020166172	1	35	-1.0	-43.34	331.65	3.30	-40.04
CSCC[C@H](NC(=O)COCC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020166173	0	39	-1.0	-51.19	351.51	3.39	-47.80
CSCC[C@H](NC(=O)COCC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020166173	1	39	-1.0	-51.12	351.57	3.40	-47.72
CSCC[C@H](NC(=O)[C@H](C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166174	0	42	-1.0	-45.14	359.00	6.03	-39.11
CSCC[C@H](NC(=O)[C@H](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166174	1	42	-1.0	-45.15	359.06	6.04	-39.11
CSCC[C@H](NC(=O)C(O)C1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300020166175	0	37	-1.0	-44.33	347.54	3.51	-40.82
CSCC[C@H](NC(=O)C(O)C1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300020166175	1	37	-1.0	-44.36	347.60	3.52	-40.84
CSCC[C@H](NC(=O)CC1(C(F)(F)F)CC1)C1=N[N-]N=N1	REAL300020166176	0	36	-1.0	-44.26	327.50	4.10	-40.16
CSCC[C@H](NC(=O)CC1(C(F)(F)F)CC1)C1=NN=N[N-]1	REAL300020166176	1	36	-1.0	-44.27	327.56	4.11	-40.16
CSCC[C@H](NC(=O)COCC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020166177	0	39	-1.0	-52.40	351.53	3.38	-49.02
CSCC[C@H](NC(=O)COCC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020166177	1	39	-1.0	-52.40	351.47	3.37	-49.03
CSCC[C@H](NC(=O)C1=CC(Cl)=NC=C1Br)C1=NN=N[N-]1	REAL300020166178	0	32	-1.0	-41.47	326.12	3.37	-38.10
CSCC[C@H](NC(=O)C1=CC(Cl)=NC=C1Br)C1=N[N-]N=N1	REAL300020166178	1	32	-1.0	-41.46	326.06	3.35	-38.11
CSCC[C@H](NC(=O)C1=CC2=C(N1)SC(Cl)=C2)C1=N[N-]N=N1	REAL300020166179	0	34	-1.0	-43.02	338.65	3.73	-39.29
CSCC[C@H](NC(=O)C1=CC2=C(N1)SC(Cl)=C2)C1=NN=N[N-]1	REAL300020166179	1	34	-1.0	-43.03	338.71	3.75	-39.28
COC(C)(C)C1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020166180	0	45	-1.0	-44.76	390.51	2.76	-42.00
COC(C)(C)C1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020166180	1	45	-1.0	-44.72	390.57	2.78	-41.94
CSCC[C@H](NC(=O)CN1N=C(C(F)(F)F)C=C1C)C1=N[N-]N=N1	REAL300020166181	0	39	-1.0	-54.12	364.64	3.62	-50.50
CSCC[C@H](NC(=O)CN1N=C(C(F)(F)F)C=C1C)C1=NN=N[N-]1	REAL300020166181	1	39	-1.0	-54.06	364.70	3.63	-50.43
CSCC[C@H](NC(=O)CN1N=C(C(F)(F)F)C(Cl)=C1C)C1=N[N-]N=N1	REAL300020166182	0	39	-1.0	-53.06	380.74	4.13	-48.93
CSCC[C@H](NC(=O)CN1N=C(C(F)(F)F)C(Cl)=C1C)C1=NN=N[N-]1	REAL300020166182	1	39	-1.0	-53.06	380.79	4.14	-48.92
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020166183	0	40	-1.0	-49.85	355.60	6.14	-43.71
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020166183	1	40	-1.0	-49.83	355.65	6.15	-43.68
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300020166184	0	40	-1.0	-44.44	371.36	6.72	-37.72
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300020166184	1	40	-1.0	-44.42	371.42	6.74	-37.68
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020166185	0	40	-1.0	-47.74	354.57	3.94	-43.80
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020166185	1	40	-1.0	-47.74	354.52	3.92	-43.82
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CN=C1)C1=N[N-]N=N1	REAL300020166186	0	39	-1.0	-45.98	344.94	4.32	-41.66
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020166186	1	39	-1.0	-45.97	345.00	4.33	-41.64
CSCC[C@H](NC(=O)C1=NC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020166187	0	37	-1.0	-53.14	335.96	3.60	-49.54
CSCC[C@H](NC(=O)C1=NC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020166187	1	37	-1.0	-53.15	335.90	3.59	-49.56
CSCC[C@H](NC(=O)C1=CC(C(F)F)=NN1)C1=N[N-]N=N1	REAL300020166188	0	33	-1.0	-43.65	313.99	1.40	-42.25
CSCC[C@H](NC(=O)C1=CC(C(F)F)=NN1)C1=NN=N[N-]1	REAL300020166188	1	33	-1.0	-43.63	314.05	1.42	-42.21
CSCC[C@H](NC(=O)C(C)N1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300020166189	0	42	-1.0	-51.68	371.88	3.70	-47.98
CSCC[C@H](NC(=O)C(C)N1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300020166189	1	42	-1.0	-51.68	371.94	3.71	-47.97
CSCC[C@H](NC(=O)CC(C1=CC=C(O)C=C1)C1CC1)C1=N[N-]N=N1	REAL300020166190	0	47	-1.0	-45.53	399.72	4.64	-40.89
CSCC[C@H](NC(=O)CC(C1=CC=C(O)C=C1)C1CC1)C1=NN=N[N-]1	REAL300020166190	1	47	-1.0	-45.48	399.78	4.65	-40.83
CSCC[C@H](NC(=O)C1CCC2=NN=NN2CC1)C1=N[N-]N=N1	REAL300020166191	0	41	-1.0	-57.23	346.74	2.50	-54.73
CSCC[C@H](NC(=O)C1CCC2=NN=NN2CC1)C1=NN=N[N-]1	REAL300020166191	1	41	-1.0	-57.25	346.79	2.51	-54.74
CSCC[C@H](NC(=O)C1=CN=C(C2(C)OCCO2)S1)C1=NN=N[N-]1	REAL300020166192	0	41	-1.0	-47.37	373.91	1.56	-45.81
CSCC[C@H](NC(=O)C1=CN=C(C2(C)OCCO2)S1)C1=N[N-]N=N1	REAL300020166192	1	41	-1.0	-47.39	373.85	1.54	-45.85
CSCC[C@H](NC(=O)C(C)CC1=CNC=N1)C1=N[N-]N=N1	REAL300020166193	0	39	-1.0	-51.46	340.66	3.63	-47.83
CSCC[C@H](NC(=O)C(C)CC1=CNC=N1)C1=NN=N[N-]1	REAL300020166193	1	39	-1.0	-51.49	340.71	3.64	-47.85
CSCC[C@H](NC(=O)C(C)CC1=CN=CN1)C1=N[N-]N=N1	REAL300020166193	1	39	-1.0	-47.79	338.34	3.48	-44.31
CSCC[C@H](NC(=O)CCCC(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166194	0	46	-1.0	-48.79	393.84	3.98	-44.81
CSCC[C@H](NC(=O)CCCC(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166194	1	46	-1.0	-48.75	393.90	4.00	-44.75
CSCC[C@H](NC(=O)C1=C(NC(=O)OC(C)(C)C)C=CO1)C1=N[N-]N=N1	REAL300020166195	0	47	-1.0	-46.63	399.11	2.50	-44.13
CSCC[C@H](NC(=O)C1=C(NC(=O)OC(C)(C)C)C=CO1)C1=NN=N[N-]1	REAL300020166195	1	47	-1.0	-46.67	399.17	2.51	-44.16
CSCC[C@H](NC(=O)C1CN(C(=O)C2CCCCC2)C1)C1=N[N-]N=N1	REAL300020166196	0	50	-1.0	-47.81	412.64	4.82	-42.99
CSCC[C@H](NC(=O)C1CN(C(=O)C2CCCCC2)C1)C1=NN=N[N-]1	REAL300020166196	1	50	-1.0	-47.83	412.69	4.83	-43.00
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166197	0	44	-1.0	-48.27	379.58	5.41	-42.86
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166197	1	44	-1.0	-48.28	379.63	5.42	-42.86
CSCC[C@H](NC(=O)CC1CCC(=O)NC1)C1=N[N-]N=N1	REAL300020166198	0	40	-1.0	-49.57	339.00	1.04	-48.53
CSCC[C@H](NC(=O)CC1CCC(=O)NC1)C1=NN=N[N-]1	REAL300020166198	1	40	-1.0	-49.59	339.06	1.06	-48.53
CSCC[C@H](NC(=O)C1=CC=CC=C1NCC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020166199	0	47	-1.0	-50.15	403.46	5.30	-44.85
CSCC[C@H](NC(=O)C1=CC=CC=C1NCC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020166199	1	47	-1.0	-50.20	403.52	5.32	-44.88
CSCC[C@H](NC(=O)C1=CN=CN=C1C1CC1)C1=N[N-]N=N1	REAL300020166200	0	38	-1.0	-43.34	334.72	4.44	-38.90
CSCC[C@H](NC(=O)C1=CN=CN=C1C1CC1)C1=NN=N[N-]1	REAL300020166200	1	38	-1.0	-43.32	334.78	4.46	-38.86
CSCC[C@H](NC(=O)C1=CC=C(C(C)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020166201	0	42	-1.0	-47.07	372.49	6.26	-40.81
CSCC[C@H](NC(=O)C1=CC=C(C(C)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020166201	1	42	-1.0	-47.07	372.55	6.27	-40.80
CSCC[C@H](NC(=O)COCC1CCCC1)C1=N[N-]N=N1	REAL300020166202	0	43	-1.0	-48.40	362.09	4.84	-43.56
CSCC[C@H](NC(=O)COCC1CCCC1)C1=NN=N[N-]1	REAL300020166202	1	43	-1.0	-48.43	362.14	4.86	-43.57
CSCC[C@H](NC(=O)CC1CC2CCC1O2)C1=N[N-]N=N1	REAL300020166203	0	41	-1.0	-46.76	340.25	2.97	-43.79
CSCC[C@H](NC(=O)CC1CC2CCC1O2)C1=NN=N[N-]1	REAL300020166203	1	41	-1.0	-46.74	340.30	2.98	-43.76
CSCC[C@H](NC(=O)C1CCN2C=CN=C2C1)C1=N[N-]N=N1	REAL300020166204	0	40	-1.0	-45.70	342.37	4.23	-41.47
CSCC[C@H](NC(=O)C1CCN2C=CN=C2C1)C1=NN=N[N-]1	REAL300020166204	1	40	-1.0	-45.70	342.42	4.24	-41.46
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N=C1C)C1=N[N-]N=N1	REAL300020166205	0	41	-1.0	-47.69	355.11	5.13	-42.56
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N=C1C)C1=NN=N[N-]1	REAL300020166205	1	41	-1.0	-47.69	355.17	5.15	-42.54
CSCC[C@H](NC(=O)CC1=CC=CC=C1OC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020166206	0	50	-1.0	-54.50	432.03	8.35	-46.15
CSCC[C@H](NC(=O)CC1=CC=CC=C1OC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020166206	1	50	-1.0	-54.51	432.09	8.37	-46.14
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)CC2CC2)C=C1)C1=N[N-]N=N1	REAL300020166207	0	46	-1.0	-50.00	411.24	4.08	-45.92
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)CC2CC2)C=C1)C1=NN=N[N-]1	REAL300020166207	1	46	-1.0	-50.01	411.30	4.09	-45.92
CSCC[C@H](NC(=O)C(C)(C)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020166208	0	46	-1.0	-46.61	393.97	6.78	-39.83
CSCC[C@H](NC(=O)C(C)(C)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020166208	1	46	-1.0	-46.64	394.03	6.80	-39.84
CSCC[C@H](NC(=O)C1(C2CCC2)CCC1)C1=N[N-]N=N1	REAL300020166209	0	43	-1.0	-45.70	344.44	5.73	-39.97
CSCC[C@H](NC(=O)C1(C2CCC2)CCC1)C1=NN=N[N-]1	REAL300020166209	1	43	-1.0	-45.66	344.50	5.74	-39.92
CSCC[C@H](NC(=O)C1=CC=C(C)N=C1C1CC1)C1=N[N-]N=N1	REAL300020166210	0	42	-1.0	-46.49	361.51	5.22	-41.27
CSCC[C@H](NC(=O)C1=CC=C(C)N=C1C1CC1)C1=NN=N[N-]1	REAL300020166210	1	42	-1.0	-46.50	361.56	5.24	-41.26
CSCC[C@H](NC(=O)C1=CCC(C)(C)CC1)C1=N[N-]N=N1	REAL300020166211	0	43	-1.0	-46.07	349.47	5.26	-40.81
CSCC[C@H](NC(=O)C1=CCC(C)(C)CC1)C1=NN=N[N-]1	REAL300020166211	1	43	-1.0	-46.01	349.53	5.28	-40.73
CSCC[C@H](NC(=O)C1=CC(Cl)=C(C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020166212	0	38	-1.0	-48.03	359.64	6.52	-41.51
CSCC[C@H](NC(=O)C1=CC(Cl)=C(C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020166212	1	38	-1.0	-48.02	359.70	6.53	-41.49
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020166213	0	43	-1.0	-50.73	383.38	6.91	-43.82
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020166213	1	43	-1.0	-50.76	383.43	6.93	-43.83
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020166214	0	43	-1.0	-44.93	388.82	7.11	-37.82
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020166214	1	43	-1.0	-44.92	388.88	7.13	-37.79
CSCC[C@H](NC(=O)C(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166215	0	44	-1.0	-51.69	368.41	5.37	-46.32
CSCC[C@H](NC(=O)C(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166215	1	44	-1.0	-51.71	368.47	5.39	-46.32
CSCC[C@H](NC(=O)CC1CS(=O)(=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020166216	0	44	-1.0	-56.27	393.39	2.42	-53.85
CSCC[C@H](NC(=O)CC1CS(=O)(=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020166216	1	44	-1.0	-56.30	393.45	2.43	-53.87
CSCC[C@H](NC(=O)COCC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020166217	0	40	-1.0	-50.66	373.37	5.66	-45.00
CSCC[C@H](NC(=O)COCC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020166217	1	40	-1.0	-50.64	373.43	5.68	-44.96
CSCC[C@H](NC(=O)C(C)CC1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020166218	0	42	-1.0	-46.85	362.37	3.79	-43.06
CSCC[C@H](NC(=O)C(C)CC1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020166218	1	42	-1.0	-46.89	362.31	3.77	-43.12
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=C(C)C=C2)C=N1)C1=NN=N[N-]1	REAL300020166219	0	46	-1.0	-45.62	404.92	5.88	-39.74
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=C(C)C=C2)C=N1)C1=N[N-]N=N1	REAL300020166219	1	46	-1.0	-45.62	404.87	5.87	-39.75
CSCC[C@H](NC(=O)C1=CC(Br)=CO1)C1=N[N-]N=N1	REAL300020166220	0	30	-1.0	-43.69	303.47	2.73	-40.96
CSCC[C@H](NC(=O)C1=CC(Br)=CO1)C1=NN=N[N-]1	REAL300020166220	1	30	-1.0	-43.71	303.52	2.74	-40.97
CSCC[C@H](NC(=O)[C@]1(C)CC[C@H](C)C1(C)C)C1=N[N-]N=N1	REAL300020166221	0	48	-1.0	-47.46	360.03	6.32	-41.14
CSCC[C@H](NC(=O)[C@]1(C)CC[C@H](C)C1(C)C)C1=NN=N[N-]1	REAL300020166221	1	48	-1.0	-47.47	360.10	6.34	-41.13
CSCC[C@H](NC(=O)C1=CC=C(NC2=NC=CS2)C=C1F)C1=NN=N[N-]1	REAL300020166222	0	41	-1.0	-50.89	377.13	4.60	-46.29
CSCC[C@H](NC(=O)C1=CC=C(NC2=NC=CS2)C=C1F)C1=N[N-]N=N1	REAL300020166222	1	41	-1.0	-50.90	377.08	4.59	-46.31
COCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCC1	REAL300020166223	0	43	-1.0	-48.52	353.77	3.87	-44.65
COCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCC1	REAL300020166223	1	43	-1.0	-48.51	353.83	3.89	-44.62
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC(F)=C2)C=N1)C1=NN=N[N-]1	REAL300020166224	0	43	-1.0	-45.53	391.64	5.35	-40.18
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC(F)=C2)C=N1)C1=N[N-]N=N1	REAL300020166224	1	43	-1.0	-45.55	391.58	5.34	-40.21
CSCC[C@H](NC(=O)C1C[C@H]2CC(=O)[C@@H]1C2)C1=N[N-]N=N1	REAL300020166225	0	39	-1.0	-46.67	331.46	3.72	-42.95
CSCC[C@H](NC(=O)C1C[C@H]2CC(=O)[C@@H]1C2)C1=NN=N[N-]1	REAL300020166225	1	39	-1.0	-46.68	331.52	3.73	-42.95
CSCC[C@H](NC(=O)CC1CCC(=O)N1C)C1=N[N-]N=N1	REAL300020166226	0	40	-1.0	-45.07	344.52	2.57	-42.50
CSCC[C@H](NC(=O)CC1CCC(=O)N1C)C1=NN=N[N-]1	REAL300020166226	1	40	-1.0	-45.08	344.58	2.59	-42.49
CSCC[C@H](NC(=O)C1=C(C)N(NC(N)=O)C(C)=C1)C1=N[N-]N=N1	REAL300020166227	0	43	-1.0	-51.38	371.06	0.49	-50.89
CSCC[C@H](NC(=O)C1=C(C)N(NC(N)=O)C(C)=C1)C1=NN=N[N-]1	REAL300020166227	1	43	-1.0	-51.39	371.12	0.51	-50.88
CSCC[C@H](NC(=O)C1CCOC(=O)N1)C1=N[N-]N=N1	REAL300020166228	0	35	-1.0	-52.63	312.80	-0.50	-53.13
CSCC[C@H](NC(=O)C1CCOC(=O)N1)C1=NN=N[N-]1	REAL300020166228	1	35	-1.0	-52.66	312.86	-0.48	-53.14
CSCC[C@H](NC(=O)C(C)C1CCC(=O)N1)C1=N[N-]N=N1	REAL300020166229	0	40	-1.0	-49.90	340.22	1.07	-48.83
CSCC[C@H](NC(=O)C(C)C1CCC(=O)N1)C1=NN=N[N-]1	REAL300020166229	1	40	-1.0	-49.91	340.28	1.08	-48.83
CSCC[C@H](NC(=O)C1=CSC(CO)=N1)C1=N[N-]N=N1	REAL300020166230	0	33	-1.0	-48.66	318.13	-1.56	-50.22
CSCC[C@H](NC(=O)C1=CSC(CO)=N1)C1=NN=N[N-]1	REAL300020166230	1	33	-1.0	-48.65	318.19	-1.54	-50.19
CCON1CCC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020166231	0	48	-1.0	-47.01	394.18	3.79	-43.22
CCON1CCC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020166231	1	48	-1.0	-46.99	394.24	3.80	-43.19
CCC1=NN=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020166232	0	34	-1.0	-44.07	324.16	1.59	-42.48
CCC1=NN=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020166232	1	34	-1.0	-44.09	324.22	1.61	-42.48
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2C)C=N1)C1=NN=N[N-]1	REAL300020166233	0	46	-1.0	-45.83	404.40	5.92	-39.91
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2C)C=N1)C1=N[N-]N=N1	REAL300020166233	1	46	-1.0	-45.87	404.34	5.91	-39.96
CSCC[C@H](NC(=O)CC1=CC=CC=C1OC1CCCC1)C1=N[N-]N=N1	REAL300020166234	0	50	-1.0	-51.11	416.02	7.02	-44.09
CSCC[C@H](NC(=O)CC1=CC=CC=C1OC1CCCC1)C1=NN=N[N-]1	REAL300020166234	1	50	-1.0	-51.10	416.08	7.04	-44.06
CSCC[C@H](NC(=O)C1=CC(C)=C(C#N)C=N1)C1=N[N-]N=N1	REAL300020166235	0	36	-1.0	-43.68	334.98	3.28	-40.40
CSCC[C@H](NC(=O)C1=CC(C)=C(C#N)C=N1)C1=NN=N[N-]1	REAL300020166235	1	36	-1.0	-43.67	335.04	3.30	-40.37
CCC(CC(F)F)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166236	0	38	-1.0	-44.94	333.05	3.91	-41.03
CCC(CC(F)F)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166236	1	38	-1.0	-44.96	333.11	3.93	-41.03
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=N1)C1=NN=N[N-]1	REAL300020166237	0	46	-1.0	-45.71	406.63	5.95	-39.76
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=N1)C1=N[N-]N=N1	REAL300020166237	1	46	-1.0	-45.71	406.57	5.94	-39.77
CCC(C)(C)OCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166238	0	42	-1.0	-48.49	347.84	3.88	-44.61
CCC(C)(C)OCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166238	1	42	-1.0	-48.48	347.89	3.89	-44.59
CSCC[C@H](NC(=O)C1CC(C(C)(C)C)C1)C1=N[N-]N=N1	REAL300020166239	0	45	-1.0	-47.90	362.18	5.28	-42.62
CSCC[C@H](NC(=O)C1CC(C(C)(C)C)C1)C1=NN=N[N-]1	REAL300020166239	1	45	-1.0	-47.93	362.24	5.30	-42.63
CSCC[C@H](NC(=O)C(C)(C)CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020166240	0	45	-1.0	-44.30	389.88	6.92	-37.38
CSCC[C@H](NC(=O)C(C)(C)CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020166240	1	45	-1.0	-44.32	389.94	6.93	-37.39
CSCC[C@H](NC(=O)C1=C(N2C=CN=N2)C=CS1)C1=NN=N[N-]1	REAL300020166241	0	36	-1.0	-60.49	335.90	3.36	-57.13
CSCC[C@H](NC(=O)C1=C(N2C=CN=N2)C=CS1)C1=N[N-]N=N1	REAL300020166241	1	36	-1.0	-60.48	335.84	3.34	-57.14
CSCC[C@H](NC(=O)C1=CC(C)=CC(C(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020166242	0	51	-1.0	-45.16	428.58	7.47	-37.69
CSCC[C@H](NC(=O)C1=CC(C)=CC(C(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020166242	1	51	-1.0	-45.17	428.64	7.48	-37.69
CSCC[C@H](NC(=O)C=CC1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL300020166243	0	44	-1.0	-46.22	381.25	7.38	-38.84
CSCC[C@H](NC(=O)C=CC1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL300020166243	1	44	-1.0	-46.23	381.31	7.40	-38.83
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020166244	0	40	-1.0	-44.63	371.36	6.73	-37.90
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020166244	1	40	-1.0	-44.62	371.42	6.75	-37.87
CSCC[C@H](NC(=O)C1=C(Br)C=C(C)S1)C1=N[N-]N=N1	REAL300020166245	0	33	-1.0	-45.82	329.13	4.50	-41.32
CSCC[C@H](NC(=O)C1=C(Br)C=C(C)S1)C1=NN=N[N-]1	REAL300020166245	1	33	-1.0	-45.87	329.18	4.52	-41.35
CSCC[C@H](NC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166246	0	53	-1.0	-46.11	427.30	3.85	-42.26
CSCC[C@H](NC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166246	1	53	-1.0	-46.04	427.36	3.87	-42.17
COC(=O)C1=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)OC=N1	REAL300020166247	0	41	-1.0	-49.07	372.14	0.88	-48.19
COC(=O)C1=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)OC=N1	REAL300020166247	1	41	-1.0	-49.04	372.08	0.87	-48.17
CSCC[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300020166248	0	49	0.0	-61.90	390.17	5.84	-56.06
CSCC[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300020166248	1	49	0.0	-61.89	390.12	5.82	-56.07
CSCC[C@H](NC(=O)C1=C(S(N)(=O)=O)C=CS1)C1=N[N-]N=N1	REAL300020166249	0	35	-1.0	-53.60	337.51	-0.82	-54.42
CSCC[C@H](NC(=O)C1=C(S(N)(=O)=O)C=CS1)C1=NN=N[N-]1	REAL300020166249	1	35	-1.0	-53.63	337.57	-0.81	-54.44
CSCC[C@H](NC(=O)CCCS(N)(=O)=O)C1=N[N-]N=N1	REAL300020166250	0	37	-1.0	-58.40	340.52	-2.46	-60.86
CSCC[C@H](NC(=O)CCCS(N)(=O)=O)C1=NN=N[N-]1	REAL300020166250	1	37	-1.0	-58.48	340.57	-2.44	-60.92
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=N[N-]N=N1	REAL300020166251	0	38	-2.0	-109.97	356.99	-1.43	-111.40
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=NN=N[N-]1	REAL300020166251	1	38	-2.0	-109.93	357.05	-1.41	-111.34
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC=C1O)C1=N[N-]N=N1	REAL300020166251	1	39	-1.0	-50.23	360.49	-2.43	-52.66
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC=C1O)C1=NN=N[N-]1	REAL300020166251	1	39	-1.0	-50.24	360.55	-2.42	-52.66
CSCC[C@H](NC(=O)COC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020166252	0	42	-1.0	-53.96	385.24	-0.40	-54.36
CSCC[C@H](NC(=O)COC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020166252	1	42	-1.0	-53.94	385.29	-0.38	-54.32
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)C(Cl)=C1)C1=N[N-]N=N1	REAL300020166253	0	38	-1.0	-46.62	364.78	-0.43	-47.05
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)C(Cl)=C1)C1=NN=N[N-]1	REAL300020166253	1	38	-1.0	-46.63	364.84	-0.41	-47.04
CSCC[C@H](NC(=O)C1=CN=C2C=CC=NN12)C1=NN=N[N-]1	REAL300020166254	0	35	-1.0	-53.83	320.46	3.03	-50.80
CSCC[C@H](NC(=O)C1=CN=C2C=CC=NN12)C1=N[N-]N=N1	REAL300020166254	1	35	-1.0	-53.82	320.40	3.01	-50.81
CSCC[C@H](NC(=O)C1(C#N)C(C#N)C1(C)C)C1=N[N-]N=N1	REAL300020166255	0	38	-1.0	-47.11	343.71	4.02	-43.09
CSCC[C@H](NC(=O)C1(C#N)C(C#N)C1(C)C)C1=NN=N[N-]1	REAL300020166255	1	38	-1.0	-47.11	343.77	4.03	-43.08
CSCC[C@H](NC(=O)C=CC1=CC=C(C(F)(F)F)C(O)=C1)C1=N[N-]N=N1	REAL300020166256	0	41	-1.0	-46.76	380.48	3.52	-43.24
CSCC[C@H](NC(=O)C=CC1=CC=C(C(F)(F)F)C(O)=C1)C1=NN=N[N-]1	REAL300020166256	1	41	-1.0	-46.72	380.54	3.53	-43.19
CSCC[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166257	0	49	0.0	-71.72	401.04	6.87	-64.85
CSCC[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166257	1	49	0.0	-75.43	401.92	6.78	-68.65
CSCC[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166257	1	49	0.0	-71.68	400.98	6.85	-64.83
CSCC[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166257	1	49	0.0	-75.38	401.86	6.77	-68.61
CSCC[C@H](NC(=O)C1=NC=CC=C1N(C)C)C1=NN=N[N-]1	REAL300020166258	0	40	-1.0	-49.90	347.24	3.04	-46.86
CSCC[C@H](NC(=O)C1=NC=CC=C1N(C)C)C1=N[N-]N=N1	REAL300020166258	1	40	-1.0	-49.90	347.18	3.02	-46.88
CSCC[C@H](NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300020166259	0	53	0.0	-65.63	407.97	3.29	-62.34
CSCC[C@H](NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300020166259	1	53	0.0	-65.66	408.02	3.30	-62.36
CCOC(CN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1)OCC	REAL300020166260	0	50	-1.0	-47.30	426.66	3.71	-43.59
CCOC(CN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1)OCC	REAL300020166260	1	50	-1.0	-47.34	426.60	3.70	-43.64
CCC1(CN2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N=N2)COC1	REAL300020166261	0	46	-1.0	-48.68	391.44	1.95	-46.73
CCC1(CN2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N=N2)COC1	REAL300020166261	1	46	-1.0	-48.69	391.38	1.94	-46.75
CSCC[C@H](NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300020166262	0	56	0.0	-63.65	434.58	4.48	-59.17
CSCC[C@H](NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300020166262	1	56	0.0	-63.68	434.64	4.49	-59.19
CSCC[C@H](NC(=O)C1(CO)CCOCC1)C1=N[N-]N=N1	REAL300020166263	0	41	-1.0	-49.89	334.51	-0.37	-50.26
CSCC[C@H](NC(=O)C1(CO)CCOCC1)C1=NN=N[N-]1	REAL300020166263	1	41	-1.0	-49.90	334.56	-0.35	-50.25
CSCC[C@H](NC(=O)C1=CN=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020166264	0	34	-1.0	-41.89	329.02	1.43	-40.46
CSCC[C@H](NC(=O)C1=CN=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020166264	1	34	-1.0	-41.86	328.97	1.42	-40.44
CSCC[C@H](NC(=O)C1CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166265	0	47	-1.0	-62.02	392.62	4.13	-57.89
CSCC[C@H](NC(=O)C1CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166265	1	47	-1.0	-62.02	392.68	4.14	-57.88
CNC1=NC=NC2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C21	REAL300020166266	0	42	-1.0	-52.20	367.41	4.31	-47.89
CNC1=NC=NC2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C21	REAL300020166266	1	42	-1.0	-52.21	367.35	4.30	-47.91
CSCC[C@H](NC(=O)C1=CC(F)=CC(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL300020166267	0	46	-1.0	-44.93	387.88	2.99	-41.94
CSCC[C@H](NC(=O)C1=CC(F)=CC(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL300020166267	1	46	-1.0	-44.95	387.94	3.01	-41.94
CSCC[C@H](NC(=O)C1=NN(C)C(Br)=C1)C1=NN=N[N-]1	REAL300020166268	0	33	-1.0	-45.96	323.50	2.32	-43.64
CSCC[C@H](NC(=O)C1=NN(C)C(Br)=C1)C1=N[N-]N=N1	REAL300020166268	1	33	-1.0	-45.94	323.44	2.31	-43.63
COC1=CC(Cl)=C(F)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166269	0	37	-1.0	-48.36	347.71	3.95	-44.41
COC1=CC(Cl)=C(F)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166269	1	37	-1.0	-48.33	347.77	3.96	-44.37
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1C)C1=N[N-]N=N1	REAL300020166270	0	43	-1.0	-47.12	383.01	5.91	-41.21
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1C)C1=NN=N[N-]1	REAL300020166270	1	43	-1.0	-47.10	383.06	5.92	-41.18
CCSC1=CC=CN=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166271	0	39	-1.0	-50.56	351.13	4.22	-46.34
CCSC1=CC=CN=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166271	1	39	-1.0	-50.56	351.07	4.21	-46.35
CSCC[C@H](NC(=O)[C@@H](C)N1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020166272	0	43	-1.0	-55.09	380.89	5.17	-49.92
CSCC[C@H](NC(=O)[C@@H](C)N1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020166272	1	43	-1.0	-55.12	380.95	5.18	-49.94
CSCC[C@H](NC(=O)CC(C)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020166273	0	42	-1.0	-47.07	362.56	3.89	-43.18
CSCC[C@H](NC(=O)CC(C)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020166273	1	42	-1.0	-47.01	362.50	3.87	-43.14
CSCC[C@H](NC(=O)C1=CC=C(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020166274	0	42	-1.0	-49.99	356.69	6.90	-43.09
CSCC[C@H](NC(=O)C1=CC=C(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020166274	1	42	-1.0	-49.99	356.63	6.89	-43.10
CSCC[C@H](NC(=O)[C@H]1C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166275	0	40	-1.0	-47.57	350.08	6.11	-41.46
CSCC[C@H](NC(=O)[C@H]1C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166275	1	40	-1.0	-47.54	350.13	6.12	-41.42
CSCC[C@H](NC(=O)C1CC1(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166276	0	40	-1.0	-50.77	353.86	6.12	-44.65
CSCC[C@H](NC(=O)C1CC1(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166276	1	40	-1.0	-50.77	353.92	6.14	-44.63
CSCC[C@H](NC(=O)C1=C(Br)N=C2CCCN21)C1=N[N-]N=N1	REAL300020166277	0	37	-1.0	-50.57	342.11	4.12	-46.45
CSCC[C@H](NC(=O)C1=C(Br)N=C2CCCN21)C1=NN=N[N-]1	REAL300020166277	1	37	-1.0	-50.59	342.16	4.14	-46.45
CSCC[C@H](NC(=O)C1CC2=CC=CC(C)=C2O1)C1=N[N-]N=N1	REAL300020166278	0	41	-1.0	-50.93	357.99	5.60	-45.33
CSCC[C@H](NC(=O)C1CC2=CC=CC(C)=C2O1)C1=NN=N[N-]1	REAL300020166278	1	41	-1.0	-50.97	358.05	5.61	-45.36
CSCC[C@H](NC(=O)C1=CC=C(C2=CN(C)N=C2)O1)C1=NN=N[N-]1	REAL300020166279	0	40	-1.0	-48.08	366.47	3.75	-44.33
CSCC[C@H](NC(=O)C1=CC=C(C2=CN(C)N=C2)O1)C1=N[N-]N=N1	REAL300020166279	1	40	-1.0	-48.06	366.41	3.73	-44.33
CSCC[C@H](NC(=O)C1=CN=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020166280	0	32	-1.0	-43.20	309.34	2.82	-40.38
CSCC[C@H](NC(=O)C1=CN=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020166280	1	32	-1.0	-43.22	309.28	2.81	-40.41
CSCC[C@H](NC(=O)C1CCC2=NN=C(C3=CC=CC=C3)N2C1)C1=N[N-]N=N1	REAL300020166281	0	49	-1.0	-49.28	411.00	7.36	-41.92
CSCC[C@H](NC(=O)C1CCC2=NN=C(C3=CC=CC=C3)N2C1)C1=NN=N[N-]1	REAL300020166281	1	49	-1.0	-49.29	411.06	7.37	-41.92
CSCC[C@H](NC(=O)CS(=O)(=O)C1CC1)C1=N[N-]N=N1	REAL300020166282	0	36	-1.0	-59.93	334.35	0.53	-59.40
CSCC[C@H](NC(=O)CS(=O)(=O)C1CC1)C1=NN=N[N-]1	REAL300020166282	1	36	-1.0	-59.97	334.41	0.55	-59.42
CSCC[C@H](NC(=O)CC1=CC2=CC(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL300020166283	0	40	-1.0	-49.82	370.85	5.15	-44.67
CSCC[C@H](NC(=O)CC1=CC2=CC(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL300020166283	1	40	-1.0	-49.82	370.91	5.16	-44.66
CSCC[C@H](NC(=O)C1=CC(CC(C)C)=CN1)C1=N[N-]N=N1	REAL300020166284	0	43	-1.0	-48.25	366.82	4.57	-43.68
CSCC[C@H](NC(=O)C1=CC(CC(C)C)=CN1)C1=NN=N[N-]1	REAL300020166284	1	43	-1.0	-48.21	366.88	4.58	-43.63
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=NN1C)C1=NN=N[N-]1	REAL300020166285	0	43	-1.0	-45.30	377.55	5.41	-39.89
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=NN1C)C1=N[N-]N=N1	REAL300020166285	1	43	-1.0	-45.28	377.49	5.39	-39.89
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL300020166286	0	41	-1.0	-48.04	361.09	3.26	-44.78
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL300020166286	1	41	-1.0	-48.03	361.15	3.27	-44.76
CSCC[C@H](NC(=O)CC1=C(C)C=C(N(C)C)C=C1C)C1=N[N-]N=N1	REAL300020166287	0	50	-1.0	-48.99	407.63	6.21	-42.78
CSCC[C@H](NC(=O)CC1=C(C)C=C(N(C)C)C=C1C)C1=NN=N[N-]1	REAL300020166287	1	50	-1.0	-49.02	407.68	6.22	-42.80
CSCC[C@H](NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300020166288	0	45	0.0	-70.97	382.10	4.00	-66.97
CSCC[C@H](NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL300020166288	1	45	0.0	-70.94	382.04	3.98	-66.96
CCCC(CC(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166289	0	47	-1.0	-45.26	377.85	5.86	-39.40
CCCC(CC(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166289	1	47	-1.0	-45.24	377.91	5.88	-39.36
CSCC[C@H](NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1C)C1=N[N-]N=N1	REAL300020166290	0	43	-1.0	-45.10	388.63	6.82	-38.28
CSCC[C@H](NC(=O)C=CC1=CC=C(C(F)(F)F)C=C1C)C1=NN=N[N-]1	REAL300020166290	1	43	-1.0	-45.06	388.69	6.83	-38.23
CCC(O)(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020166291	0	46	-1.0	-44.17	378.45	4.45	-39.72
CCC(O)(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020166291	1	46	-1.0	-44.19	378.51	4.46	-39.73
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC(Cl)=C2N1)C1=N[N-]N=N1	REAL300020166292	0	40	-1.0	-44.78	365.65	5.21	-39.57
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC(Cl)=C2N1)C1=NN=N[N-]1	REAL300020166292	1	40	-1.0	-44.81	365.71	5.22	-39.59
CSCC[C@H](NC(=O)C1=CC2=CC=CNC2=N1)C1=N[N-]N=N1	REAL300020166293	0	36	-1.0	-65.07	327.48	3.37	-61.70
CSCC[C@H](NC(=O)C1=CC2=CC=CNC2=N1)C1=NN=N[N-]1	REAL300020166293	1	36	-1.0	-65.05	327.53	3.39	-61.66
CSCC[C@H](NC(=O)C1=CN=C(C(C)=O)S1)C1=N[N-]N=N1	REAL300020166294	0	34	-1.0	-43.13	330.09	1.89	-41.24
CSCC[C@H](NC(=O)C1=CN=C(C(C)=O)S1)C1=NN=N[N-]1	REAL300020166294	1	34	-1.0	-43.15	330.15	1.91	-41.24
CSCC[C@H](NC(=O)C1=C(Br)C=NN1C)C1=NN=N[N-]1	REAL300020166295	0	33	-1.0	-41.30	324.55	2.33	-38.97
CSCC[C@H](NC(=O)C1=C(Br)C=NN1C)C1=N[N-]N=N1	REAL300020166295	1	33	-1.0	-41.31	324.49	2.31	-39.00
CSCC[C@H](NC(=O)CCS(=O)(=O)CC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020166296	0	48	-1.0	-51.51	428.56	3.92	-47.59
CSCC[C@H](NC(=O)CCS(=O)(=O)CC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020166296	1	48	-1.0	-51.47	428.62	3.93	-47.54
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)C=CN1)C1=NN=N[N-]1	REAL300020166297	0	41	-1.0	-49.67	360.39	5.55	-44.12
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)C=CN1)C1=N[N-]N=N1	REAL300020166297	1	41	-1.0	-49.71	360.33	5.53	-44.18
CSCC[C@H](NC(=O)C1(C)CCC(=O)CC1)C1=N[N-]N=N1	REAL300020166298	0	41	-1.0	-47.80	338.18	3.81	-43.99
CSCC[C@H](NC(=O)C1(C)CCC(=O)CC1)C1=NN=N[N-]1	REAL300020166298	1	41	-1.0	-47.84	338.24	3.82	-44.02
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300020166299	0	40	-1.0	-43.89	381.98	7.08	-36.81
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300020166299	1	40	-1.0	-43.88	382.04	7.09	-36.79
CSCC[C@H](NC(=O)C1=NN2CCCCC2=C1)C1=N[N-]N=N1	REAL300020166300	0	40	-1.0	-50.13	344.96	3.51	-46.62
CSCC[C@H](NC(=O)C1=NN2CCCCC2=C1)C1=NN=N[N-]1	REAL300020166300	1	40	-1.0	-50.13	345.02	3.52	-46.61
COCC(C)(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166301	0	42	-1.0	-45.95	346.94	2.88	-43.07
COCC(C)(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166301	1	42	-1.0	-45.92	347.00	2.89	-43.03
CCCCCCOC(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166302	0	48	-1.0	-47.96	402.50	5.93	-42.03
CCCCCCOC(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166302	1	48	-1.0	-47.95	402.56	5.94	-42.01
CSCC[C@H](NC(=O)C1CCC(F)CC1)C1=N[N-]N=N1	REAL300020166303	0	39	-1.0	-50.90	328.09	4.36	-46.54
CSCC[C@H](NC(=O)C1CCC(F)CC1)C1=NN=N[N-]1	REAL300020166303	1	39	-1.0	-50.91	328.15	4.38	-46.53
CCC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020166304	0	38	-1.0	-47.84	337.01	3.78	-44.06
CCC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020166304	1	38	-1.0	-47.84	337.07	3.79	-44.05
CSCC[C@H](NC(=O)CC1CSC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020166305	0	42	-1.0	-50.12	374.86	6.08	-44.04
CSCC[C@H](NC(=O)CC1CSC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020166305	1	42	-1.0	-50.13	374.92	6.10	-44.03
CSCC[C@H](NC(=O)CC1CC(F)(F)C1)C1=N[N-]N=N1	REAL300020166306	0	36	-1.0	-47.11	323.21	4.01	-43.10
CSCC[C@H](NC(=O)CC1CC(F)(F)C1)C1=NN=N[N-]1	REAL300020166306	1	36	-1.0	-47.13	323.27	4.03	-43.10
CSCC[C@H](NC(=O)C1=CC=C(C)C(C)=N1)C1=N[N-]N=N1	REAL300020166307	0	38	-1.0	-48.01	333.39	3.51	-44.50
CSCC[C@H](NC(=O)C1=CC=C(C)C(C)=N1)C1=NN=N[N-]1	REAL300020166307	1	38	-1.0	-48.00	333.45	3.53	-44.47
CSCC[C@H](NC(=O)C1=NC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL300020166308	0	37	-1.0	-47.14	335.93	2.76	-44.38
CSCC[C@H](NC(=O)C1=NC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL300020166308	1	37	-1.0	-47.15	335.87	2.75	-44.40
CSCC[C@H](NC(=O)[C@@]1(C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166309	0	43	-1.0	-48.15	362.27	6.52	-41.63
CSCC[C@H](NC(=O)[C@@]1(C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166309	1	43	-1.0	-48.13	362.32	6.54	-41.59
CSCC[C@H](NC(=O)CCC1=C(C)N=CS1)C1=N[N-]N=N1	REAL300020166310	0	38	-1.0	-45.37	347.53	3.31	-42.06
CSCC[C@H](NC(=O)CCC1=C(C)N=CS1)C1=NN=N[N-]1	REAL300020166310	1	38	-1.0	-45.44	347.58	3.32	-42.12
CSCC[C@H](NC(=O)C1=CC=CC(CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020166311	0	46	-1.0	-49.88	400.33	8.53	-41.35
CSCC[C@H](NC(=O)C1=CC=CC(CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020166311	1	46	-1.0	-49.91	400.39	8.54	-41.37
CSCC[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=N[N-]N=N1	REAL300020166312	0	52	0.0	-66.12	417.45	7.83	-58.29
CSCC[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NN=N[N-]1	REAL300020166312	1	52	0.0	-66.15	417.50	7.85	-58.30
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C(OC(C)C)=C1)C1=N[N-]N=N1	REAL300020166313	0	45	-1.0	-44.83	392.75	6.37	-38.46
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C(OC(C)C)=C1)C1=NN=N[N-]1	REAL300020166313	1	45	-1.0	-44.84	392.81	6.38	-38.46
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2C)N=N1)C1=NN=N[N-]1	REAL300020166314	0	42	-1.0	-46.61	370.49	4.52	-42.09
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2C)N=N1)C1=N[N-]N=N1	REAL300020166314	1	42	-1.0	-46.60	370.43	4.50	-42.10
CCOC1=CC=C(CC(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020166315	0	49	-1.0	-45.51	410.33	6.26	-39.25
CCOC1=CC=C(CC(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020166315	1	49	-1.0	-45.55	410.39	6.28	-39.27
CSCC[C@H](NC(=O)C1CCC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020166316	0	41	-1.0	-51.19	354.14	5.78	-45.41
CSCC[C@H](NC(=O)C1CCC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020166316	1	41	-1.0	-51.21	354.20	5.79	-45.42
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020166317	0	42	-1.0	-46.78	378.29	6.78	-40.00
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020166317	1	42	-1.0	-46.77	378.35	6.80	-39.97
CSCC[C@H](NC(=O)C1CC(C)(C)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020166318	0	47	-1.0	-47.54	386.63	5.83	-41.71
CSCC[C@H](NC(=O)C1CC(C)(C)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020166318	1	47	-1.0	-47.50	386.69	5.85	-41.65
CCCN1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1=O	REAL300020166319	0	43	-1.0	-44.90	368.03	3.39	-41.51
CCCN1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1=O	REAL300020166319	1	43	-1.0	-44.88	368.09	3.40	-41.48
CSCC[C@H](NC(=O)C(C)OC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020166320	0	39	-1.0	-50.28	348.28	2.97	-47.31
CSCC[C@H](NC(=O)C(C)OC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020166320	1	39	-1.0	-50.29	348.22	2.96	-47.33
CSCC[C@H](NC(=O)C1=NN(C)C2=C1CCCC2)C1=N[N-]N=N1	REAL300020166321	0	43	-1.0	-52.06	363.09	4.22	-47.84
CSCC[C@H](NC(=O)C1=NN(C)C2=C1CCCC2)C1=NN=N[N-]1	REAL300020166321	1	43	-1.0	-52.10	363.15	4.24	-47.86
CCC(CC)OC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020166322	0	49	-1.0	-46.70	402.67	6.35	-40.35
CCC(CC)OC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020166322	1	49	-1.0	-46.72	402.73	6.37	-40.35
CSCC[C@H](NC(=O)CC1=CC=CC=C1OC1CCOC1)C1=N[N-]N=N1	REAL300020166323	0	48	-1.0	-55.58	406.30	4.46	-51.12
CSCC[C@H](NC(=O)CC1=CC=CC=C1OC1CCOC1)C1=NN=N[N-]1	REAL300020166323	1	48	-1.0	-55.58	406.36	4.48	-51.10
C=CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCC1	REAL300020166324	0	43	-1.0	-47.74	343.95	5.51	-42.23
C=CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCC1	REAL300020166324	1	43	-1.0	-47.73	344.01	5.53	-42.20
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C	REAL300020166325	0	37	-1.0	-48.44	335.04	1.10	-47.34
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C	REAL300020166325	1	37	-1.0	-48.41	334.98	1.09	-47.32
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020166326	0	41	-1.0	-49.07	370.86	6.50	-42.57
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020166326	1	41	-1.0	-49.08	370.91	6.52	-42.56
CSCC[C@H](NC(=O)C1=NC=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL300020166327	0	38	-1.0	-48.84	342.97	0.94	-47.90
CSCC[C@H](NC(=O)C1=NC=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL300020166327	1	38	-1.0	-48.83	342.91	0.93	-47.90
COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020166328	0	42	-1.0	-52.50	359.70	4.32	-48.18
COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020166328	1	42	-1.0	-52.47	359.75	4.33	-48.14
CSCC[C@H](NC(=O)C1=CSC(C2CCCCC2)=N1)C1=N[N-]N=N1	REAL300020166329	0	45	-1.0	-46.10	389.48	5.02	-41.08
CSCC[C@H](NC(=O)C1=CSC(C2CCCCC2)=N1)C1=NN=N[N-]1	REAL300020166329	1	45	-1.0	-46.13	389.54	5.03	-41.10
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020166330	0	40	-1.0	-44.69	366.80	6.63	-38.06
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020166330	1	40	-1.0	-44.73	366.86	6.64	-38.09
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166331	0	44	-1.0	-49.64	378.46	5.46	-44.18
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166331	1	44	-1.0	-49.63	378.52	5.47	-44.16
CCC1=CC=CC=C1N1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1	REAL300020166332	0	45	-1.0	-46.65	389.38	5.28	-41.37
CCC1=CC=CC=C1N1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1	REAL300020166332	1	45	-1.0	-46.66	389.32	5.26	-41.40
CSCC[C@H](NC(=O)C1=CN=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020166333	0	35	-1.0	-42.21	325.67	3.42	-38.79
CSCC[C@H](NC(=O)C1=CN=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020166333	1	35	-1.0	-42.20	325.73	3.43	-38.77
CSCC[C@H](NC(=O)C(O)C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020166334	0	39	-1.0	-44.64	358.48	3.47	-41.17
CSCC[C@H](NC(=O)C(O)C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020166334	1	39	-1.0	-44.62	358.54	3.48	-41.14
CSCC[C@H](NC(=O)C1=CN(C2=CC=CN=C2)N=N1)C1=NN=N[N-]1	REAL300020166335	0	38	-1.0	-46.65	349.88	2.02	-44.63
CSCC[C@H](NC(=O)C1=CN(C2=CC=CN=C2)N=N1)C1=N[N-]N=N1	REAL300020166335	1	38	-1.0	-46.67	349.83	2.00	-44.67
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1CCC1)C1=N[N-]N=N1	REAL300020166336	0	43	-1.0	-50.10	368.15	4.50	-45.60
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1CCC1)C1=NN=N[N-]1	REAL300020166336	1	43	-1.0	-50.11	368.21	4.51	-45.60
CSCC[C@H](NC(=O)CC1=CC=CC(C2CC2)=C1)C1=N[N-]N=N1	REAL300020166337	0	43	-1.0	-47.81	371.38	6.86	-40.95
CSCC[C@H](NC(=O)CC1=CC=CC(C2CC2)=C1)C1=NN=N[N-]1	REAL300020166337	1	43	-1.0	-47.82	371.43	6.87	-40.95
CSCC[C@H](NC(=O)C(=O)C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL300020166338	0	32	-1.0	-40.13	331.34	3.70	-36.43
CSCC[C@H](NC(=O)C(=O)C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL300020166338	1	32	-1.0	-40.15	331.39	3.71	-36.44
CSCC[C@H](NC(=O)C(CC(C)C)C(N)=O)C1=N[N-]N=N1	REAL300020166339	0	42	-1.0	-46.77	357.22	0.31	-46.46
CSCC[C@H](NC(=O)C(CC(C)C)C(N)=O)C1=NN=N[N-]1	REAL300020166339	1	42	-1.0	-46.79	357.28	0.33	-46.46
CSCC[C@H](NC(=O)C(F)(F)C1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL300020166340	0	36	-1.0	-42.31	360.40	5.71	-36.60
CSCC[C@H](NC(=O)C(F)(F)C1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL300020166340	1	36	-1.0	-42.30	360.35	5.69	-36.61
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL300020166340	1	35	-2.0	-108.01	356.61	3.75	-104.26
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=NN1CC1=CC=CC=C1	REAL300020166341	0	48	-1.0	-47.52	415.52	5.40	-42.12
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=NN1CC1=CC=CC=C1	REAL300020166341	1	48	-1.0	-47.53	415.58	5.42	-42.11
CCCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CN1	REAL300020166342	0	40	-1.0	-50.02	345.80	4.02	-46.00
CCCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CN1	REAL300020166342	1	40	-1.0	-50.05	345.86	4.04	-46.01
CSCC[C@H](NC(=O)C1=COC(C2=C(F)C=CC=C2F)=N1)C1=NN=N[N-]1	REAL300020166343	0	39	-1.0	-50.45	366.78	2.95	-47.50
CSCC[C@H](NC(=O)C1=COC(C2=C(F)C=CC=C2F)=N1)C1=N[N-]N=N1	REAL300020166343	1	39	-1.0	-50.44	366.72	2.94	-47.50
CSCC[C@H](NC(=O)C1=CC(=O)C2=CC=C(Cl)C=C2O1)C1=N[N-]N=N1	REAL300020166344	0	38	-1.0	-43.23	364.16	4.84	-38.39
CSCC[C@H](NC(=O)C1=CC(=O)C2=CC=C(Cl)C=C2O1)C1=NN=N[N-]1	REAL300020166344	1	38	-1.0	-43.21	364.22	4.86	-38.35
CSCC[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C1CCC1)C1=N[N-]N=N1	REAL300020166345	0	53	-1.0	-42.71	424.44	4.31	-38.40
CSCC[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C1CCC1)C1=NN=N[N-]1	REAL300020166345	1	53	-1.0	-42.72	424.50	4.33	-38.39
CSCC[C@H](NC(=O)CC1=CC=CC(OCC=C(C)C)=C1)C1=N[N-]N=N1	REAL300020166346	0	50	-1.0	-51.45	425.63	7.01	-44.44
CSCC[C@H](NC(=O)CC1=CC=CC(OCC=C(C)C)=C1)C1=NN=N[N-]1	REAL300020166346	1	50	-1.0	-51.42	425.69	7.03	-44.39
COC(CC(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166347	0	42	-1.0	-47.57	354.46	4.00	-43.57
COC(CC(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166347	1	42	-1.0	-47.50	354.51	4.01	-43.49
COCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1	REAL300020166348	0	39	-1.0	-45.68	353.90	0.33	-45.35
COCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1	REAL300020166348	1	39	-1.0	-45.68	353.84	0.32	-45.36
CSCC[C@H](NC(=O)C1SCCCS1)C1=N[N-]N=N1	REAL300020166349	0	35	-1.0	-48.87	322.80	4.08	-44.79
CSCC[C@H](NC(=O)C1SCCCS1)C1=NN=N[N-]1	REAL300020166349	1	35	-1.0	-48.89	322.86	4.10	-44.79
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)C2CCC2)C=C1)C1=N[N-]N=N1	REAL300020166350	0	46	-1.0	-49.35	405.42	3.95	-45.40
CSCC[C@H](NC(=O)C1=CC=C(S(=O)(=O)C2CCC2)C=C1)C1=NN=N[N-]1	REAL300020166350	1	46	-1.0	-49.34	405.48	3.96	-45.38
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)N=C2C=CC=CN21)C1=NN=N[N-]1	REAL300020166351	0	39	-1.0	-45.95	367.01	5.22	-40.73
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)N=C2C=CC=CN21)C1=N[N-]N=N1	REAL300020166351	1	39	-1.0	-45.95	366.96	5.21	-40.74
CSCC[C@H](NC(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C1=N[N-]N=N1	REAL300020166352	0	39	-1.0	-54.13	355.57	3.01	-51.12
CSCC[C@H](NC(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C1=NN=N[N-]1	REAL300020166352	1	39	-1.0	-54.12	355.62	3.02	-51.10
CSCC[C@H](NC(=O)[C@@H]1COCC[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166353	0	47	-1.0	-51.00	379.39	5.16	-45.84
CSCC[C@H](NC(=O)[C@@H]1COCC[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166353	1	47	-1.0	-51.01	379.45	5.17	-45.84
CSCC[C@H](NC(=O)C1(C(F)(F)F)CCCC1)C1=N[N-]N=N1	REAL300020166354	0	39	-1.0	-41.64	337.56	4.64	-37.00
CSCC[C@H](NC(=O)C1(C(F)(F)F)CCCC1)C1=NN=N[N-]1	REAL300020166354	1	39	-1.0	-41.68	337.61	4.66	-37.02
COC1=CC=C2ON=C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C2=C1	REAL300020166355	0	42	-1.0	-51.99	375.06	3.37	-48.62
COC1=CC=C2ON=C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C2=C1	REAL300020166355	1	42	-1.0	-51.95	375.11	3.38	-48.57
CSCC[C@H](NC(=O)CC1=NOC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300020166356	0	38	-1.0	-52.73	352.01	4.14	-48.59
CSCC[C@H](NC(=O)CC1=NOC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300020166356	1	38	-1.0	-52.71	352.06	4.16	-48.55
COC1CCCCN(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1=O	REAL300020166357	0	47	-1.0	-56.01	387.33	3.42	-52.59
COC1CCCCN(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1=O	REAL300020166357	1	47	-1.0	-56.03	387.39	3.43	-52.60
CSCC[C@H](NC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020166358	0	50	-1.0	-58.04	414.17	3.89	-54.15
CSCC[C@H](NC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020166358	1	50	-1.0	-58.06	414.23	3.90	-54.16
CSCC[C@H](NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020166359	0	53	-1.0	-48.95	437.84	3.80	-45.15
CSCC[C@H](NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020166359	1	53	-1.0	-48.96	437.89	3.81	-45.15
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=O)=O)S1)C1=N[N-]N=N1	REAL300020166360	0	36	-1.0	-49.36	352.28	0.68	-48.68
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=O)=O)S1)C1=NN=N[N-]1	REAL300020166360	1	36	-1.0	-49.32	352.33	0.69	-48.63
CSCC[C@H](NC(=O)CC1=NN(C)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020166361	0	42	-1.0	-54.77	372.11	4.62	-50.15
CSCC[C@H](NC(=O)CC1=NN(C)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020166361	1	42	-1.0	-54.75	372.17	4.64	-50.11
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C1=N[N-]N=N1	REAL300020166362	0	41	-1.0	-44.51	357.83	5.94	-38.57
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C1=NN=N[N-]1	REAL300020166362	1	41	-1.0	-44.52	357.89	5.95	-38.57
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300020166363	0	44	-1.0	-46.09	371.30	4.67	-41.42
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300020166363	1	44	-1.0	-46.10	371.24	4.65	-41.45
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1C)C1=N[N-]N=N1	REAL300020166364	0	36	-1.0	-45.49	318.77	4.80	-40.69
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1C)C1=NN=N[N-]1	REAL300020166364	1	36	-1.0	-45.50	318.82	4.81	-40.69
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=N2)C(C)=C1)C1=NN=N[N-]1	REAL300020166365	0	43	-1.0	-47.63	377.03	6.25	-41.38
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=N2)C(C)=C1)C1=N[N-]N=N1	REAL300020166365	1	43	-1.0	-47.66	376.97	6.23	-41.43
CSCC[C@H](NC(=O)C1=CC=C(OCC2=CC=NC=C2)C=C1)C1=N[N-]N=N1	REAL300020166366	0	46	-1.0	-49.20	403.58	5.62	-43.58
CSCC[C@H](NC(=O)C1=CC=C(OCC2=CC=NC=C2)C=C1)C1=NN=N[N-]1	REAL300020166366	1	46	-1.0	-49.18	403.64	5.64	-43.54
CSCC[C@H](NC(=O)C1=CNN=C1C1CCOCC1)C1=N[N-]N=N1	REAL300020166367	0	44	-1.0	-48.72	371.78	1.93	-46.79
CSCC[C@H](NC(=O)C1=CNN=C1C1CCOCC1)C1=NN=N[N-]1	REAL300020166367	1	44	-1.0	-48.70	371.83	1.95	-46.75
CSCC[C@H](NC(=O)C=CC1(C)CCC(C)C1(C)C)C1=N[N-]N=N1	REAL300020166368	0	52	-1.0	-45.95	402.07	6.65	-39.30
CSCC[C@H](NC(=O)C=CC1(C)CCC(C)C1(C)C)C1=NN=N[N-]1	REAL300020166368	1	52	-1.0	-45.92	402.13	6.67	-39.25
CSCC[C@H](NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=N[N-]N=N1	REAL300020166369	0	36	-2.0	-109.10	340.26	4.66	-104.44
CSCC[C@H](NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=NN=N[N-]1	REAL300020166369	1	36	-2.0	-109.06	340.31	4.67	-104.39
CSCC[C@H](NC(=O)C1=CC=CC(C(F)(F)F)=C1O)C1=N[N-]N=N1	REAL300020166369	1	37	-1.0	-47.69	343.82	3.66	-44.03
CSCC[C@H](NC(=O)C1=CC=CC(C(F)(F)F)=C1O)C1=NN=N[N-]1	REAL300020166369	1	37	-1.0	-47.67	343.87	3.68	-43.99
CSCC[C@H](NC(=O)C=CC1=CN=CN1C)C1=N[N-]N=N1	REAL300020166370	0	37	-1.0	-48.83	332.68	4.42	-44.41
CSCC[C@H](NC(=O)C=CC1=CN=CN1C)C1=NN=N[N-]1	REAL300020166370	1	37	-1.0	-48.86	332.74	4.44	-44.42
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)N=CN1)C1=N[N-]N=N1	REAL300020166371	0	33	-1.0	-50.59	313.74	2.64	-47.95
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)N=CN1)C1=NN=N[N-]1	REAL300020166371	1	33	-1.0	-50.53	313.80	2.66	-47.87
CSCC[C@H](NC(=O)C(=CC1=CC=CS1)NC(C)=O)C1=N[N-]N=N1	REAL300020166372	0	41	-1.0	-57.22	372.36	4.43	-52.79
CSCC[C@H](NC(=O)C(=CC1=CC=CS1)NC(C)=O)C1=NN=N[N-]1	REAL300020166372	1	41	-1.0	-57.27	372.42	4.44	-52.83
CSCC[C@H](NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=N[N-]N=N1	REAL300020166373	0	38	-2.0	-96.65	354.22	1.78	-94.87
CSCC[C@H](NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=NN=N[N-]1	REAL300020166373	1	38	-2.0	-96.68	354.27	1.80	-94.88
COC(=O)C1=CC=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166374	0	38	-1.0	-51.23	349.96	3.05	-48.18
COC(=O)C1=CC=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166374	1	38	-1.0	-51.23	349.90	3.04	-48.19
CNC1=CC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166375	0	38	-1.0	-48.13	345.04	3.39	-44.74
CNC1=CC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166375	1	38	-1.0	-48.13	345.09	3.41	-44.72
CSCC[C@H](NC(=O)C1(C2=C(F)C=CC=C2F)CCC1)C1=N[N-]N=N1	REAL300020166376	0	43	-1.0	-48.40	370.17	6.48	-41.92
CSCC[C@H](NC(=O)C1(C2=C(F)C=CC=C2F)CCC1)C1=NN=N[N-]1	REAL300020166376	1	43	-1.0	-48.37	370.22	6.49	-41.88
CSCC[C@H](NC(=O)C1(OC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020166377	0	41	-1.0	-44.31	356.70	4.93	-39.38
CSCC[C@H](NC(=O)C1(OC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020166377	1	41	-1.0	-44.32	356.77	4.96	-39.36
CSCC[C@H](NC(=O)[C@@](C)(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166378	0	40	-1.0	-45.90	345.06	2.31	-43.59
CSCC[C@H](NC(=O)[C@@](C)(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166378	1	40	-1.0	-45.94	345.11	2.33	-43.61
CCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C2CCOCC2)=N1	REAL300020166379	0	50	-1.0	-49.54	416.21	4.10	-45.44
CCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C2CCOCC2)=N1	REAL300020166379	1	50	-1.0	-49.53	416.27	4.12	-45.41
CCOC(=O)C(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020166380	0	45	-1.0	-45.25	392.19	6.42	-38.83
CCOC(=O)C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020166380	1	45	-1.0	-45.27	392.25	6.44	-38.83
CSCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)C(F)F)=C1)C1=N[N-]N=N1	REAL300020166381	0	39	-1.0	-53.17	371.40	2.00	-51.17
CSCC[C@H](NC(=O)C1=CC=CC(S(=O)(=O)C(F)F)=C1)C1=NN=N[N-]1	REAL300020166381	1	39	-1.0	-53.18	371.45	2.02	-51.16
CSCC[C@H](NC(=O)C1=NN(C)C(C)=C1Cl)C1=N[N-]N=N1	REAL300020166382	0	36	-1.0	-50.72	338.09	2.88	-47.84
CSCC[C@H](NC(=O)C1=NN(C)C(C)=C1Cl)C1=NN=N[N-]1	REAL300020166382	1	36	-1.0	-50.76	338.14	2.90	-47.86
CSCC[C@H](NC(=O)C1CCC(=O)N(C)C1)C1=N[N-]N=N1	REAL300020166383	0	40	-1.0	-46.32	339.91	2.33	-43.99
CSCC[C@H](NC(=O)C1CCC(=O)N(C)C1)C1=NN=N[N-]1	REAL300020166383	1	40	-1.0	-46.30	339.97	2.34	-43.96
CCN1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCC1=O	REAL300020166384	0	43	-1.0	-45.99	361.38	3.31	-42.68
CCN1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCC1=O	REAL300020166384	1	43	-1.0	-45.98	361.43	3.32	-42.66
CSCC[C@H](NC(=O)CC1=NSC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020166385	0	38	-1.0	-54.92	352.90	4.74	-50.18
CSCC[C@H](NC(=O)CC1=NSC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020166385	1	38	-1.0	-54.90	352.95	4.76	-50.14
CSCC[C@H](NC(=O)CC(C)N1C=CC=N1)C1=NN=N[N-]1	REAL300020166386	0	39	-1.0	-48.43	339.18	3.24	-45.19
CSCC[C@H](NC(=O)CC(C)N1C=CC=N1)C1=N[N-]N=N1	REAL300020166386	1	39	-1.0	-48.43	339.13	3.22	-45.21
CSCC[C@H](NC(=O)C=CC1=CC=C(C(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300020166387	0	43	-1.0	-45.21	386.39	6.79	-38.42
CSCC[C@H](NC(=O)C=CC1=CC=C(C(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300020166387	1	43	-1.0	-45.20	386.45	6.81	-38.39
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CNN=C1)C1=NN=N[N-]1	REAL300020166388	0	40	-1.0	-50.62	350.38	4.09	-46.53
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CNN=C1)C1=N[N-]N=N1	REAL300020166388	1	40	-1.0	-50.60	350.32	4.07	-46.53
CSCC[C@H](NC(=O)CCSC1=C2N=CNC2=NC=N1)C1=N[N-]N=N1	REAL300020166389	0	41	-1.0	-54.27	380.57	4.98	-49.29
CSCC[C@H](NC(=O)CCSC1=C2N=CNC2=NC=N1)C1=NN=N[N-]1	REAL300020166389	1	41	-1.0	-54.30	380.62	4.99	-49.31
CCOCN1N=C(C)C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020166390	0	49	-1.0	-50.30	418.75	3.04	-47.26
CCOCN1N=C(C)C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020166390	1	49	-1.0	-50.32	418.81	3.06	-47.26
CSCC[C@H](NC(=O)CC1CS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020166391	0	36	-1.0	-53.30	328.95	-0.27	-53.57
CSCC[C@H](NC(=O)CC1CS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020166391	1	36	-1.0	-53.30	329.00	-0.25	-53.55
CSCC[C@H](NC(=O)C(C)=CC1CCC(C)CC1)C1=N[N-]N=N1	REAL300020166392	0	49	-1.0	-45.85	387.08	6.78	-39.07
CSCC[C@H](NC(=O)C(C)=CC1CCC(C)CC1)C1=NN=N[N-]1	REAL300020166392	1	49	-1.0	-45.86	387.14	6.79	-39.07
COC1=NSC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166393	0	33	-1.0	-41.93	318.14	-0.05	-41.98
COC1=NSC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166393	1	33	-1.0	-41.95	318.08	-0.07	-42.02
CCOCN1N=C(C)C(CC(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020166394	0	55	-1.0	-48.56	450.75	4.12	-44.44
CCOCN1N=C(C)C(CC(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020166394	1	55	-1.0	-48.57	450.81	4.14	-44.43
COC1=CC2=NC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N2C=C1	REAL300020166395	0	40	-1.0	-48.24	352.75	3.73	-44.51
COC1=CC2=NC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N2C=C1	REAL300020166395	1	40	-1.0	-48.23	352.69	3.71	-44.52
COC1=CC=CC(S(=O)CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166396	0	42	-1.0	-53.43	382.18	2.13	-51.30
COC1=CC=CC(S(=O)CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166396	1	42	-1.0	-53.45	382.24	2.15	-51.30
CSCC[C@H](NC(=O)C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)C1=N[N-]N=N1	REAL300020166397	0	46	-1.0	-45.92	405.08	6.38	-39.54
CSCC[C@H](NC(=O)C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)C1=NN=N[N-]1	REAL300020166397	1	46	-1.0	-45.90	405.14	6.39	-39.51
CSCC[C@H](NC(=O)C1=CC(Br)=C(C)S1)C1=N[N-]N=N1	REAL300020166398	0	33	-1.0	-44.69	331.88	4.47	-40.22
CSCC[C@H](NC(=O)C1=CC(Br)=C(C)S1)C1=NN=N[N-]1	REAL300020166398	1	33	-1.0	-44.67	331.93	4.48	-40.19
CSCC[C@H](NC(=O)C1=COC2=C(C)C=CC=C12)C1=N[N-]N=N1	REAL300020166399	0	39	-1.0	-50.94	347.64	5.08	-45.86
CSCC[C@H](NC(=O)C1=COC2=C(C)C=CC=C12)C1=NN=N[N-]1	REAL300020166399	1	39	-1.0	-50.89	347.70	5.10	-45.79
CCC(CC1=CC=CC=C1C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166400	0	48	-1.0	-47.58	389.40	7.21	-40.37
CCC(CC1=CC=CC=C1C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166400	1	48	-1.0	-47.58	389.46	7.23	-40.35
CNC1=CN=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020166401	0	36	-1.0	-47.64	324.53	0.16	-47.48
CNC1=CN=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020166401	1	36	-1.0	-47.65	324.47	0.14	-47.51
CSCC[C@H](NC(=O)CC1=CC=C(N2C=NN=C2)C=C1)C1=NN=N[N-]1	REAL300020166402	0	42	-1.0	-51.58	373.14	7.75	-43.83
CSCC[C@H](NC(=O)CC1=CC=C(N2C=NN=C2)C=C1)C1=N[N-]N=N1	REAL300020166402	1	42	-1.0	-51.61	373.08	7.73	-43.88
CSCC[C@H](NC(=O)CCC1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300020166403	0	43	-1.0	-47.25	382.81	5.15	-42.10
CSCC[C@H](NC(=O)CCC1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300020166403	1	43	-1.0	-47.26	382.87	5.16	-42.10
CSCC[C@H](NC(=O)C1=C(C)OC(Br)=C1)C1=N[N-]N=N1	REAL300020166404	0	33	-1.0	-42.33	320.89	3.59	-38.74
CSCC[C@H](NC(=O)C1=C(C)OC(Br)=C1)C1=NN=N[N-]1	REAL300020166404	1	33	-1.0	-42.35	320.95	3.60	-38.75
C=CCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1	REAL300020166405	0	39	-1.0	-46.30	354.54	2.59	-43.71
C=CCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1	REAL300020166405	1	39	-1.0	-46.29	354.48	2.57	-43.72
CSCC[C@H](NC(=O)C1=NC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL300020166406	0	37	-1.0	-46.76	335.93	2.78	-43.98
CSCC[C@H](NC(=O)C1=NC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL300020166406	1	37	-1.0	-46.74	335.87	2.76	-43.98
CSCC[C@H](NC(=O)CC1=CC=CC(NC(C)=O)=C1)C1=N[N-]N=N1	REAL300020166407	0	43	-1.0	-50.17	377.98	3.67	-46.50
CSCC[C@H](NC(=O)CC1=CC=CC(NC(C)=O)=C1)C1=NN=N[N-]1	REAL300020166407	1	43	-1.0	-50.17	378.03	3.69	-46.48
CSCC[C@H](NC(=O)C1CCCC(F)C1)C1=N[N-]N=N1	REAL300020166408	0	39	-1.0	-43.61	328.09	4.36	-39.25
CSCC[C@H](NC(=O)C1CCCC(F)C1)C1=NN=N[N-]1	REAL300020166408	1	39	-1.0	-43.63	328.15	4.38	-39.25
COC(=O)N1CC2CCC1C(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C2	REAL300020166409	0	48	-1.0	-57.35	390.77	4.68	-52.67
COC(=O)N1CC2CCC1C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C2	REAL300020166409	1	48	-1.0	-57.37	390.83	4.70	-52.67
COC(=O)N1CC2C=CC1C(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C2	REAL300020166410	0	46	-1.0	-55.41	385.30	3.87	-51.54
COC(=O)N1CC2C=CC1C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C2	REAL300020166410	1	46	-1.0	-55.41	385.35	3.88	-51.53
CSCC[C@H](NC(=O)C1(C)CC1(F)Cl)C1=N[N-]N=N1	REAL300020166411	0	33	-1.0	-47.96	310.76	3.68	-44.28
CSCC[C@H](NC(=O)C1(C)CC1(F)Cl)C1=NN=N[N-]1	REAL300020166411	1	33	-1.0	-47.95	310.82	3.69	-44.26
C=CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCOCC1	REAL300020166412	0	44	-1.0	-44.50	358.15	3.42	-41.08
C=CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCOCC1	REAL300020166412	1	44	-1.0	-44.48	358.21	3.44	-41.04
CSCC[C@H](NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300020166413	0	46	-1.0	-42.66	368.74	5.91	-36.75
CSCC[C@H](NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300020166413	1	46	-1.0	-42.67	368.80	5.92	-36.75
CSCC[C@H](NC(=O)C(CCCC#N)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166414	0	53	-1.0	-51.27	442.09	3.61	-47.66
CSCC[C@H](NC(=O)C(CCCC#N)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166414	1	53	-1.0	-51.29	442.14	3.62	-47.67
CSCC[C@H](NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166415	0	47	-1.0	-53.07	397.12	3.22	-49.85
CSCC[C@H](NC(=O)[C@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166415	1	47	-1.0	-53.07	397.17	3.22	-49.85
CSCC[C@H](NC(=O)C1=C(N)N(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020166416	0	44	-1.0	-47.11	366.44	2.94	-44.17
CSCC[C@H](NC(=O)C1=C(N)N(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020166416	1	44	-1.0	-47.13	366.38	2.93	-44.20
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2)N=C1C(C)C)C1=N[N-]N=N1	REAL300020166417	0	49	-1.0	-48.90	418.06	7.14	-41.76
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2)N=C1C(C)C)C1=NN=N[N-]1	REAL300020166417	1	49	-1.0	-48.91	418.12	7.16	-41.75
CSCC[C@H](NC(=O)C1(C2=CC=C(C)C=C2)CCC1)C1=N[N-]N=N1	REAL300020166418	0	46	-1.0	-49.04	386.56	7.00	-42.04
CSCC[C@H](NC(=O)C1(C2=CC=C(C)C=C2)CCC1)C1=NN=N[N-]1	REAL300020166418	1	46	-1.0	-49.07	386.61	7.01	-42.06
CCC(CC)(CO)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166419	0	42	-1.0	-50.78	340.65	0.72	-50.06
CCC(CC)(CO)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166419	1	42	-1.0	-50.78	340.71	0.74	-50.04
CSCC[C@H](NC(=O)C1=CC=CC2=CC=CC(O)=C21)C1=NN=N[N-]1	REAL300020166420	0	40	-1.0	-51.21	352.02	4.85	-46.36
CSCC[C@H](NC(=O)C1=CC=CC2=CC=CC(O)=C21)C1=N[N-]N=N1	REAL300020166420	1	40	-1.0	-51.23	351.97	4.84	-46.39
CSCC[C@H](NC(=O)CC1=NN=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020166421	0	41	-1.0	-56.14	373.70	0.73	-55.41
CSCC[C@H](NC(=O)CC1=NN=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020166421	1	41	-1.0	-56.13	373.75	0.74	-55.39
CSCC[C@H](NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020166422	0	45	0.0	-76.04	382.47	4.03	-72.01
CSCC[C@H](NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020166422	1	45	0.0	-76.01	382.41	4.02	-71.99
CSCC[C@H](NC(=O)C1=CC=NN1CC[NH+](C)C)C1=NN=N[N-]1	REAL300020166423	0	45	0.0	-51.86	377.84	3.92	-47.94
CSCC[C@H](NC(=O)C1=CC=NN1CC[NH+](C)C)C1=N[N-]N=N1	REAL300020166423	1	45	0.0	-51.92	377.77	3.91	-48.01
CSCC[C@H](NC(=O)C1CCC(C)=C(C)C1)C1=N[N-]N=N1	REAL300020166424	0	43	-1.0	-44.61	353.72	5.41	-39.20
CSCC[C@H](NC(=O)C1CCC(C)=C(C)C1)C1=NN=N[N-]1	REAL300020166424	1	43	-1.0	-44.58	353.78	5.42	-39.16
CSCC[C@H](NC(=O)C1=CN2CCCC2=N1)C1=N[N-]N=N1	REAL300020166425	0	37	-1.0	-52.19	327.03	3.68	-48.51
CSCC[C@H](NC(=O)C1=CN2CCCC2=N1)C1=NN=N[N-]1	REAL300020166425	1	37	-1.0	-52.22	327.09	3.69	-48.53
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300020166426	0	36	-1.0	-42.77	358.87	5.66	-37.11
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020166426	1	36	-1.0	-42.79	358.81	5.64	-37.15
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020166426	1	35	-2.0	-112.21	355.04	3.68	-108.53
CSCC[C@H](NC(=O)C1=CC(=O)C2=CC=CC=C2N1C)C1=N[N-]N=N1	REAL300020166427	0	42	-1.0	-54.99	368.49	4.88	-50.11
CSCC[C@H](NC(=O)C1=CC(=O)C2=CC=CC=C2N1C)C1=NN=N[N-]1	REAL300020166427	1	42	-1.0	-55.01	368.54	4.90	-50.11
CSCC[C@H](NC(=O)C1=CC=C(SC(F)(F)F)O1)C1=N[N-]N=N1	REAL300020166428	0	34	-1.0	-43.85	342.95	3.86	-39.99
CSCC[C@H](NC(=O)C1=CC=C(SC(F)(F)F)O1)C1=NN=N[N-]1	REAL300020166428	1	34	-1.0	-43.89	343.00	3.87	-40.02
CSCC[C@H](NC(=O)C1=CC=CC(O)=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300020166429	0	38	-1.0	-53.09	352.20	2.83	-50.26
CSCC[C@H](NC(=O)C1=CC=CC(O)=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300020166429	1	38	-1.0	-53.09	352.26	2.84	-50.25
CSCC[C@H](NC(=O)C1(CC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300020166430	0	51	-1.0	-55.58	414.51	6.71	-48.87
CSCC[C@H](NC(=O)C1(CC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300020166430	1	51	-1.0	-55.55	414.57	6.72	-48.83
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CSCC[C@H](NC(=O)C1=CC=C(N2CCOCC2)C(C)=C1)C1=NN=N[N-]1	REAL300020166481	1	49	-1.0	-45.86	405.10	4.33	-41.53
CSCC[C@H](NC(=O)C1=CN(C2CCC2)N=N1)C1=NN=N[N-]1	REAL300020166482	0	39	-1.0	-45.85	344.15	2.39	-43.46
CSCC[C@H](NC(=O)C1=CN(C2CCC2)N=N1)C1=N[N-]N=N1	REAL300020166482	1	39	-1.0	-45.84	344.09	2.38	-43.46
CSCC[C@H](NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020166483	0	50	-1.0	-47.78	414.86	2.83	-44.95
CSCC[C@H](NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020166483	1	50	-1.0	-47.76	414.92	2.84	-44.92
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1=N[N-]N=N1	REAL300020166484	0	45	-1.0	-45.98	372.05	5.70	-40.28
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1=NN=N[N-]1	REAL300020166484	1	45	-1.0	-45.96	372.11	5.72	-40.24
CSCC[C@H](NC(=O)C1(C)CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020166485	0	43	-1.0	-45.02	361.72	6.33	-38.69
CSCC[C@H](NC(=O)C1(C)CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020166485	1	43	-1.0	-45.01	361.77	6.34	-38.67
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C1=N[N-]N=N1	REAL300020166486	0	44	-1.0	-54.80	372.84	5.14	-49.66
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C1=NN=N[N-]1	REAL300020166486	1	44	-1.0	-54.78	372.89	5.15	-49.63
COC(=O)C12CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)(C1)C2	REAL300020166487	0	40	-1.0	-47.28	355.72	4.31	-42.97
COC(=O)C12CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)(C1)C2	REAL300020166487	1	40	-1.0	-47.30	355.77	4.32	-42.98
CSCC[C@H](NC(=O)C1=CC=CC2=CC(O)=CC=C21)C1=NN=N[N-]1	REAL300020166488	0	40	-1.0	-50.16	350.10	3.53	-46.63
CSCC[C@H](NC(=O)C1=CC=CC2=CC(O)=CC=C21)C1=N[N-]N=N1	REAL300020166488	1	40	-1.0	-50.12	350.04	3.51	-46.61
CSCC[C@H](NC(=O)C1=C(O)C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020166489	0	39	-1.0	-53.47	347.14	3.09	-50.38
CSCC[C@H](NC(=O)C1=C(O)C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020166489	1	39	-1.0	-53.44	347.19	3.11	-50.33
CSCC[C@H](NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020166489	1	38	-2.0	-122.83	343.58	4.09	-118.74
CSCC[C@H](NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020166489	1	38	-2.0	-122.86	343.63	4.11	-118.75
CSCC[C@H](NC(=O)C1=CC=C(C2=CNC=N2)C=C1)C1=N[N-]N=N1	REAL300020166490	0	40	-1.0	-54.15	355.66	5.31	-48.84
CSCC[C@H](NC(=O)C1=CC=C(C2=CNC=N2)C=C1)C1=NN=N[N-]1	REAL300020166490	1	40	-1.0	-54.16	355.72	5.32	-48.84
CSCC[C@H](NC(=O)C1CS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020166491	0	33	-1.0	-50.10	307.86	-1.02	-51.12
CSCC[C@H](NC(=O)C1CS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020166491	1	33	-1.0	-50.14	307.91	-1.00	-51.14
CSCC[C@H](NC(=O)CC1=CC=CC(F)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020166492	0	38	-1.0	-62.98	357.46	5.63	-57.35
CSCC[C@H](NC(=O)CC1=CC=CC(F)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020166492	1	38	-1.0	-62.96	357.52	5.64	-57.32
CSCC[C@H](NC(=O)C1COC2=CC=C(O)C=C2O1)C1=N[N-]N=N1	REAL300020166493	0	40	-1.0	-50.65	356.27	1.33	-49.32
CSCC[C@H](NC(=O)C1COC2=CC=C(O)C=C2O1)C1=NN=N[N-]1	REAL300020166493	1	40	-1.0	-50.66	356.33	1.34	-49.32
CSCC[C@H](NC(=O)C(C)(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166494	0	47	-1.0	-52.32	387.15	5.94	-46.38
CSCC[C@H](NC(=O)C(C)(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166494	1	47	-1.0	-52.33	387.21	5.95	-46.38
CSCC[C@H](NC(=O)C1=C(Cl)SC(Br)=N1)C1=NN=N[N-]1	REAL300020166495	0	29	-1.0	-42.95	320.50	2.36	-40.59
CSCC[C@H](NC(=O)C1=C(Cl)SC(Br)=N1)C1=N[N-]N=N1	REAL300020166495	1	29	-1.0	-42.93	320.45	2.35	-40.58
CSCC[C@H](NC(=O)C(C(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300020166496	0	50	-1.0	-45.67	405.86	5.63	-40.04
CSCC[C@H](NC(=O)C(C(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300020166496	1	50	-1.0	-45.62	405.92	5.65	-39.97
COC(=O)C1=C(COCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)OC=N1	REAL300020166497	0	42	-1.0	-58.08	385.24	0.47	-57.61
COC(=O)C1=C(COCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)OC=N1	REAL300020166497	1	42	-1.0	-58.04	385.18	0.45	-57.59
COC1=NN(C)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166498	0	37	-1.0	-55.39	334.56	0.14	-55.25
COC1=NN(C)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166498	1	37	-1.0	-55.38	334.50	0.12	-55.26
CSCC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166499	0	49	0.0	-64.82	392.74	6.79	-58.03
CSCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166499	1	49	0.0	-69.58	371.46	6.59	-62.99
CSCC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166499	1	49	0.0	-64.83	392.69	6.78	-58.05
CSCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166499	1	49	0.0	-69.57	371.41	6.58	-62.99
CSCC[C@H](NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=NN=N[N-]1	REAL300020166500	0	45	0.0	-65.18	376.13	3.21	-61.97
CSCC[C@H](NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=N[N-]N=N1	REAL300020166500	1	45	0.0	-65.19	376.07	3.20	-61.99
CSCC[C@H](NC(=O)C1=C(C(C)(C)C)N=CN1)C1=N[N-]N=N1	REAL300020166501	0	42	-1.0	-45.87	348.27	4.07	-41.80
CSCC[C@H](NC(=O)C1=C(C(C)(C)C)N=CN1)C1=NN=N[N-]1	REAL300020166501	1	42	-1.0	-45.84	348.33	4.10	-41.74
CSCC[C@H](NC(=O)C1=COC(SC)=C1)C1=N[N-]N=N1	REAL300020166502	0	34	-1.0	-48.21	325.36	3.27	-44.94
CSCC[C@H](NC(=O)C1=COC(SC)=C1)C1=NN=N[N-]1	REAL300020166502	1	34	-1.0	-48.18	325.42	3.28	-44.90
CSCC[C@H](NC(=O)CC1=NC(C2=CC=CO2)=C(C)S1)C1=NN=N[N-]1	REAL300020166503	0	42	-1.0	-54.93	389.43	4.37	-50.56
CSCC[C@H](NC(=O)CC1=NC(C2=CC=CO2)=C(C)S1)C1=N[N-]N=N1	REAL300020166503	1	42	-1.0	-54.94	389.37	4.35	-50.59
CSCC[C@H](NC(=O)CN1CC2=CC=CC=C2OC1=O)C1=N[N-]N=N1	REAL300020166504	0	42	-1.0	-61.37	371.80	4.89	-56.48
CSCC[C@H](NC(=O)CN1CC2=CC=CC=C2OC1=O)C1=NN=N[N-]1	REAL300020166504	1	42	-1.0	-61.39	371.86	4.90	-56.49
CSCC[C@H](NC(=O)C1=CC(C)=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020166505	0	43	-1.0	-46.30	388.85	7.42	-38.88
CSCC[C@H](NC(=O)C1=CC(C)=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020166505	1	43	-1.0	-46.26	388.90	7.43	-38.83
CSCC[C@H](NC(=O)C1=CN(C(C)C)N=C1C)C1=N[N-]N=N1	REAL300020166506	0	42	-1.0	-48.60	360.82	3.81	-44.79
CSCC[C@H](NC(=O)C1=CN(C(C)C)N=C1C)C1=NN=N[N-]1	REAL300020166506	1	42	-1.0	-48.54	360.87	3.82	-44.72
CSCC[C@H](NC(=O)CCC1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020166507	0	39	-1.0	-46.88	371.66	6.41	-40.47
CSCC[C@H](NC(=O)CCC1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020166507	1	39	-1.0	-46.85	371.72	6.42	-40.43
CSCC[C@H](NC(=O)C1=CC=C(C(F)F)N=C1)C1=N[N-]N=N1	REAL300020166508	0	35	-1.0	-43.54	327.09	3.17	-40.37
CSCC[C@H](NC(=O)C1=CC=C(C(F)F)N=C1)C1=NN=N[N-]1	REAL300020166508	1	35	-1.0	-43.58	327.14	3.18	-40.40
CSCC[C@H](NC(=O)C1=C2OCCOC2=CS1)C1=N[N-]N=N1	REAL300020166509	0	36	-1.0	-50.83	332.44	2.57	-48.26
CSCC[C@H](NC(=O)C1=C2OCCOC2=CS1)C1=NN=N[N-]1	REAL300020166509	1	36	-1.0	-50.84	332.50	2.58	-48.26
CCC1=C(C2=CC=CC=C2)SC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166510	0	46	-1.0	-46.00	409.08	8.13	-37.87
CCC1=C(C2=CC=CC=C2)SC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166510	1	46	-1.0	-46.02	409.14	8.15	-37.87
CSCC[C@H](NC(=O)CCCC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020166511	0	42	-1.0	-48.95	375.68	6.40	-42.55
CSCC[C@H](NC(=O)CCCC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020166511	1	42	-1.0	-48.97	375.73	6.42	-42.55
CSCC[C@H](NC(=O)C1=CN=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020166512	0	35	-1.0	-48.16	323.26	3.36	-44.80
CSCC[C@H](NC(=O)C1=CN=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020166512	1	35	-1.0	-48.15	323.20	3.34	-44.81
CSCC[C@H](NC(=O)C1(C2=CC=C(C)C(C)=C2)CCOCC1)C1=N[N-]N=N1	REAL300020166513	0	53	-1.0	-47.11	420.33	6.21	-40.90
CSCC[C@H](NC(=O)C1(C2=CC=C(C)C(C)=C2)CCOCC1)C1=NN=N[N-]1	REAL300020166513	1	53	-1.0	-47.15	420.39	6.23	-40.92
CSCC[C@H](NC(=O)C1(C(=O)NC2=C(F)C=CC=C2F)CC1)C1=N[N-]N=N1	REAL300020166514	0	44	-1.0	-54.17	397.84	4.88	-49.29
CSCC[C@H](NC(=O)C1(C(=O)NC2=C(F)C=CC=C2F)CC1)C1=NN=N[N-]1	REAL300020166514	1	44	-1.0	-54.20	397.90	4.89	-49.31
CSCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL300020166515	0	36	-2.0	-96.67	330.10	0.93	-95.74
CSCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL300020166515	1	36	-2.0	-96.65	330.16	0.95	-95.70
CSCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL300020166515	1	36	-2.0	-96.64	330.16	0.95	-95.69
CSCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL300020166515	1	36	-2.0	-96.68	330.22	0.96	-95.72
CSCC[C@H](NC(=O)C1(C2=CC=C(C(F)(F)F)C=C2)CCC1)C1=N[N-]N=N1	REAL300020166516	0	46	-1.0	-47.88	403.88	7.32	-40.56
CSCC[C@H](NC(=O)C1(C2=CC=C(C(F)(F)F)C=C2)CCC1)C1=NN=N[N-]1	REAL300020166516	1	46	-1.0	-47.92	403.94	7.34	-40.58
CSCC[C@H](NC(=O)C1CCCCC1N1C=CC=N1)C1=NN=N[N-]1	REAL300020166517	0	46	-1.0	-53.38	377.94	5.41	-47.97
CSCC[C@H](NC(=O)C1CCCCC1N1C=CC=N1)C1=N[N-]N=N1	REAL300020166517	1	46	-1.0	-53.40	377.88	5.39	-48.01
CSCC[C@H](NC(=O)C1CC(C)CCC1C(C)C)C1=N[N-]N=N1	REAL300020166518	0	51	-1.0	-46.92	395.69	6.33	-40.59
CSCC[C@H](NC(=O)C1CC(C)CCC1C(C)C)C1=NN=N[N-]1	REAL300020166518	1	51	-1.0	-46.94	395.76	6.35	-40.59
CSCC[C@H](NC(=O)CC1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020166519	0	56	-1.0	-56.72	444.88	5.69	-51.03
CSCC[C@H](NC(=O)CC1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020166519	1	56	-1.0	-56.71	444.94	5.71	-51.00
CSCC[C@H](NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300020166520	0	53	-1.0	-50.90	432.22	5.43	-45.47
CSCC[C@H](NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300020166520	1	53	-1.0	-50.94	432.28	5.44	-45.50
CSCC[C@H](NC(=O)C1CCCC1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166521	0	56	-1.0	-51.94	452.00	4.09	-47.85
CSCC[C@H](NC(=O)C1CCCC1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166521	1	56	-1.0	-51.95	452.06	4.11	-47.84
CSCC[C@H](NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166522	0	49	-1.0	-44.46	401.69	4.15	-40.31
CSCC[C@H](NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166522	1	49	-1.0	-44.47	401.75	4.16	-40.31
C#CCN1CCC[C@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166523	0	40	-1.0	-47.06	344.46	2.19	-44.87
C#CCN1CCC[C@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166523	1	40	-1.0	-47.06	344.52	2.20	-44.86
CSCC[C@H](NC(=O)C(C)CC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020166524	0	43	-1.0	-46.34	379.80	6.43	-39.91
CSCC[C@H](NC(=O)C(C)CC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020166524	1	43	-1.0	-46.36	379.86	6.45	-39.91
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL300020166525	0	41	-1.0	-46.61	360.42	5.99	-40.62
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL300020166525	1	41	-1.0	-46.59	360.48	6.00	-40.59
CSCC[C@H](NC(=O)CCCCC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166526	0	50	-1.0	-46.94	415.52	6.16	-40.78
CSCC[C@H](NC(=O)CCCCC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166526	1	50	-1.0	-46.94	415.58	6.18	-40.76
CSCC[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=CO1)C1=N[N-]N=N1	REAL300020166527	0	40	-1.0	-45.43	360.29	1.43	-44.00
CSCC[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=CO1)C1=NN=N[N-]1	REAL300020166527	1	40	-1.0	-45.47	360.35	1.45	-44.02
CSCC[C@H](NC(=O)C1=NN(CCF)C(=O)C=C1)C1=N[N-]N=N1	REAL300020166528	0	38	-1.0	-42.22	348.43	2.23	-39.99
CSCC[C@H](NC(=O)C1=NN(CCF)C(=O)C=C1)C1=NN=N[N-]1	REAL300020166528	1	38	-1.0	-42.22	348.49	2.24	-39.98
CSCC[C@H](NC(=O)CC1=C(C)C=C(C)S1)C1=N[N-]N=N1	REAL300020167529	0	39	-1.0	-46.17	352.67	5.23	-40.94
CSCC[C@H](NC(=O)CC1=C(C)C=C(C)S1)C1=NN=N[N-]1	REAL300020167529	1	39	-1.0	-46.18	352.72	5.24	-40.94
CSCC[C@H](NC(=O)C1COC(CCC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020167530	0	55	-1.0	-51.51	449.36	5.53	-45.98
CSCC[C@H](NC(=O)C1COC(CCC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020167530	1	55	-1.0	-51.49	449.42	5.54	-45.95
CSCC[C@H](NC(=O)[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300020167531	0	51	-1.0	-48.08	415.71	5.09	-42.99
CSCC[C@H](NC(=O)[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300020167531	1	51	-1.0	-48.07	415.77	5.11	-42.96
COCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167532	0	53	-1.0	-44.39	433.41	1.41	-42.98
COCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167532	1	53	-1.0	-44.40	433.47	1.42	-42.98
CSCC[C@H](NC(=O)C1CN(C(=O)OC(C)(C)C)CC1(C)C)C1=N[N-]N=N1	REAL300020167533	0	56	-1.0	-46.43	443.91	5.12	-41.31
CSCC[C@H](NC(=O)C1CN(C(=O)OC(C)(C)C)CC1(C)C)C1=NN=N[N-]1	REAL300020167533	1	56	-1.0	-46.45	443.96	5.13	-41.32
CSCC[C@H](NC(=O)CC1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL300020167534	0	35	-1.0	-48.12	322.01	3.23	-44.89
CSCC[C@H](NC(=O)CC1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL300020167534	1	35	-1.0	-48.16	322.07	3.25	-44.91
CSCC[C@H](NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL300020167535	0	49	-1.0	-56.69	416.89	2.61	-54.08
CSCC[C@H](NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL300020167535	1	49	-1.0	-56.66	416.94	2.62	-54.04
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167536	0	50	-1.0	-53.20	421.33	1.73	-51.47
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167536	1	50	-1.0	-53.19	421.38	1.74	-51.45
CSCC[C@H](NC(=O)C(O)C1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020167537	0	40	-1.0	-48.45	357.17	3.75	-44.70
CSCC[C@H](NC(=O)C(O)C1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020167537	1	40	-1.0	-48.45	357.23	3.77	-44.68
CCN1N=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C1CC1	REAL300020167538	0	43	-1.0	-47.38	368.39	4.56	-42.82
CCN1N=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C1CC1	REAL300020167538	1	43	-1.0	-47.36	368.45	4.58	-42.78
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020167539	0	48	-1.0	-42.11	407.97	7.18	-34.93
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020167539	1	48	-1.0	-42.12	408.03	7.20	-34.92
CSCC[C@H](NC(=O)C1=CC(C)=CN=C1Cl)C1=NN=N[N-]1	REAL300020167540	0	35	-1.0	-48.29	326.71	3.41	-44.88
CSCC[C@H](NC(=O)C1=CC(C)=CN=C1Cl)C1=N[N-]N=N1	REAL300020167540	1	35	-1.0	-48.24	326.65	3.40	-44.84
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020167541	0	37	-1.0	-49.87	337.58	5.31	-44.56
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020167541	1	37	-1.0	-49.88	337.64	5.32	-44.56
CSCC[C@H](NC(=O)C=CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020167542	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	REAL300020167542	1	40	-1.0	-48.22	358.17	3.96	-44.26
CSCC[C@H](NC(=O)C1=CC=NC(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020167543	0	49	-1.0	-48.02	415.99	4.04	-43.98
CSCC[C@H](NC(=O)C1=CC=NC(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020167543	1	49	-1.0	-48.03	416.04	4.06	-43.97
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020167544	0	37	-1.0	-45.55	338.47	5.33	-40.22
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020167544	1	37	-1.0	-45.54	338.53	5.35	-40.19
CSCC[C@H](NC(=O)CC1=CSC([C@H]2CC[C@H](C)CC2)=N1)C1=N[N-]N=N1	REAL300020167545	0	51	-1.0	-46.53	432.43	6.27	-40.26
CSCC[C@H](NC(=O)CC1=CSC([C@H]2CC[C@H](C)CC2)=N1)C1=NN=N[N-]1	REAL300020167545	1	51	-1.0	-46.51	432.48	6.28	-40.23
COC1=CC=C(C2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=NO2)C=C1	REAL300020167546	0	43	-1.0	-45.26	385.66	4.44	-40.82
COC1=CC=C(C2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=NO2)C=C1	REAL300020167546	1	43	-1.0	-45.30	385.60	4.42	-40.88
CCC1=CC=C(C2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=NO2)C=C1	REAL300020167547	0	45	-1.0	-44.46	399.10	6.58	-37.88
CCC1=CC=C(C2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=NO2)C=C1	REAL300020167547	1	45	-1.0	-44.43	399.05	6.57	-37.86
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020167548	0	45	-1.0	-46.94	391.52	6.69	-40.25
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020167548	1	45	-1.0	-46.96	391.58	6.71	-40.25
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020167549	0	42	-1.0	-52.84	362.19	5.73	-47.11
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020167549	1	42	-1.0	-52.87	362.24	5.74	-47.13
COC(=O)C1=NN(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020167550	0	39	-1.0	-54.21	358.47	2.89	-51.32
COC(=O)C1=NN(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020167550	1	39	-1.0	-54.19	358.41	2.87	-51.32
COC(=O)C1=NN(CCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020167551	0	45	-1.0	-56.27	402.08	4.25	-52.02
COC(=O)C1=NN(CCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020167551	1	45	-1.0	-56.32	402.02	4.23	-52.09
CCCCC1=NC(C)=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020167552	0	47	-1.0	-47.88	412.89	5.57	-42.31
CCCCC1=NC(C)=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020167552	1	47	-1.0	-47.88	412.95	5.58	-42.30
CSCC[C@H](NC(=O)CC1=C(C)N=C(C2CCC2)S1)C1=N[N-]N=N1	REAL300020167553	0	45	-1.0	-48.42	396.29	5.40	-43.02
CSCC[C@H](NC(=O)CC1=C(C)N=C(C2CCC2)S1)C1=NN=N[N-]1	REAL300020167553	1	45	-1.0	-48.40	396.34	5.42	-42.98
CSCC[C@H](NC(=O)CC1=C(C)N=C(C2=NN(C)C=C2)S1)C1=N[N-]N=N1	REAL300020167554	0	45	-1.0	-53.99	411.53	4.02	-49.97
CSCC[C@H](NC(=O)CC1=C(C)N=C(C2=NN(C)C=C2)S1)C1=NN=N[N-]1	REAL300020167554	1	45	-1.0	-54.02	411.59	4.03	-49.99
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1N)C1=N[N-]N=N1	REAL300020167555	0	38	-1.0	-41.81	346.33	3.31	-38.50
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1N)C1=NN=N[N-]1	REAL300020167555	1	38	-1.0	-41.83	346.39	3.32	-38.51
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1N)C1=N[N-]N=N1	REAL300020167556	0	35	-1.0	-42.27	324.66	2.82	-39.45
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1N)C1=NN=N[N-]1	REAL300020167556	1	35	-1.0	-42.27	324.72	2.83	-39.44
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1N)C1=N[N-]N=N1	REAL300020167557	0	37	-1.0	-41.92	336.03	2.97	-38.95
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1N)C1=NN=N[N-]1	REAL300020167557	1	37	-1.0	-41.94	336.09	2.99	-38.95
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1N)C1=N[N-]N=N1	REAL300020167558	0	35	-1.0	-42.45	313.72	2.37	-40.08
CSCC[C@H](NC(=O)C1=CC=C(F)C=C1N)C1=NN=N[N-]1	REAL300020167558	1	35	-1.0	-42.42	313.77	2.38	-40.04
COC(=O)C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167559	0	39	-1.0	-61.51	350.78	5.42	-56.09
COC(=O)C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167559	1	39	-1.0	-61.51	350.84	5.43	-56.08
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=O)=O)C=C1N)C1=N[N-]N=N1	REAL300020167560	0	41	-1.0	-49.80	368.52	-0.16	-49.96
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=O)=O)C=C1N)C1=NN=N[N-]1	REAL300020167560	1	41	-1.0	-49.80	368.57	-0.14	-49.94
CSCC[C@H](NC(=O)C1=CC=C(N=[N+]=[N-])C=C1)C1=N[N-]N=N1	REAL300020167561	0	35	-1.0	-44.89	325.61	1.89	-43.00
CSCC[C@H](NC(=O)C1=CC=C(N=[N+]=[N-])C=C1)C1=NN=N[N-]1	REAL300020167561	1	35	-1.0	-44.87	325.67	1.91	-42.96
C=CC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020167562	0	41	-1.0	-54.78	365.93	3.53	-51.25
C=CC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020167562	1	41	-1.0	-54.78	365.99	3.54	-51.24
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1N)C1=N[N-]N=N1	REAL300020167563	0	35	-1.0	-42.27	329.16	2.93	-39.34
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1N)C1=NN=N[N-]1	REAL300020167563	1	35	-1.0	-42.27	329.22	2.94	-39.33
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=C2)C=C1O)C1=N[N-]N=N1	REAL300020167564	0	42	-1.0	-47.09	367.06	5.40	-41.69
CSCC[C@H](NC(=O)C1=CC=C(N2C=CC=C2)C=C1O)C1=NN=N[N-]1	REAL300020167564	1	42	-1.0	-47.10	367.12	5.42	-41.68
CSCC[C@H](NC(=O)C1=CC=CC=C1N=[N+]=[N-])C1=N[N-]N=N1	REAL300020167565	0	35	-1.0	-49.09	323.73	2.08	-47.01
CSCC[C@H](NC(=O)C1=CC=CC=C1N=[N+]=[N-])C1=NN=N[N-]1	REAL300020167565	1	35	-1.0	-49.12	323.79	2.09	-47.03
CCS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(N)=C1	REAL300020167566	0	44	-1.0	-48.69	389.98	0.74	-47.95
CCS(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(N)=C1	REAL300020167566	1	44	-1.0	-48.67	390.04	0.76	-47.91
CSCC[C@H](NC(=O)C1=CC=C(CN=[N+]=[N-])C=C1)C1=N[N-]N=N1	REAL300020167567	0	38	-1.0	-47.60	349.10	1.36	-46.24
CSCC[C@H](NC(=O)C1=CC=C(CN=[N+]=[N-])C=C1)C1=NN=N[N-]1	REAL300020167567	1	38	-1.0	-47.61	349.16	1.38	-46.23
COC(=O)CCC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167568	0	45	-1.0	-52.05	387.70	6.31	-45.74
COC(=O)CCC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167568	1	45	-1.0	-52.04	387.76	6.32	-45.72
CSCC[C@H](NC(=O)C1=CC=C(C2CCC(=O)N2)C=C1)C1=N[N-]N=N1	REAL300020167569	0	44	-1.0	-51.04	380.87	3.59	-47.45
CSCC[C@H](NC(=O)C1=CC=C(C2CCC(=O)N2)C=C1)C1=NN=N[N-]1	REAL300020167569	1	44	-1.0	-51.04	380.92	3.60	-47.44
CSCC[C@H](NC(=O)C1=CN=C(C(C)C)N=C1C)C1=N[N-]N=N1	REAL300020167570	0	43	-1.0	-43.13	367.29	3.92	-39.21
CSCC[C@H](NC(=O)C1=CN=C(C(C)C)N=C1C)C1=NN=N[N-]1	REAL300020167570	1	43	-1.0	-43.17	367.35	3.94	-39.23
CSCC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1=N[N-]N=N1	REAL300020167571	0	43	-1.0	-51.44	354.54	1.33	-50.11
CSCC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1=NN=N[N-]1	REAL300020167571	1	43	-1.0	-51.48	354.60	1.34	-50.14
CSCC[C@H](NC(=O)C1=CC=CN2N=CC=C12)C1=NN=N[N-]1	REAL300020167572	0	36	-1.0	-52.18	323.18	3.91	-48.27
CSCC[C@H](NC(=O)C1=CC=CN2N=CC=C12)C1=N[N-]N=N1	REAL300020167572	1	36	-1.0	-52.17	323.12	3.90	-48.27
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N=CNC2=C1)C1=N[N-]N=N1	REAL300020167573	0	38	-1.0	-54.18	343.28	2.39	-51.79
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N=CNC2=C1)C1=NN=N[N-]1	REAL300020167573	1	38	-1.0	-54.16	343.34	2.40	-51.76
CSCC[C@H](NC(=O)CCNC(=O)CO)C1=N[N-]N=N1	REAL300020167574	0	37	-1.0	-59.75	333.72	-2.02	-61.77
CSCC[C@H](NC(=O)CCNC(=O)CO)C1=NN=N[N-]1	REAL300020167574	1	37	-1.0	-59.71	333.77	-2.00	-61.71
CSCC[C@H](NC(=O)CNC(=O)N1CCCC1)C1=N[N-]N=N1	REAL300020167575	0	42	-1.0	-46.07	360.53	1.46	-44.61
CSCC[C@H](NC(=O)CNC(=O)N1CCCC1)C1=NN=N[N-]1	REAL300020167575	1	42	-1.0	-46.13	360.59	1.48	-44.65
CSCC[C@H](NC(=O)CC1=CC=CC=C1N1CCCC1=O)C1=N[N-]N=N1	REAL300020167576	0	47	-1.0	-45.63	402.97	6.31	-39.32
CSCC[C@H](NC(=O)CC1=CC=CC=C1N1CCCC1=O)C1=NN=N[N-]1	REAL300020167576	1	47	-1.0	-45.63	403.03	6.32	-39.31
CSCC[C@H](NC(=O)C1CCC2=NN=CN2CC1)C1=N[N-]N=N1	REAL300020167577	0	42	-1.0	-57.25	352.33	5.63	-51.62
CSCC[C@H](NC(=O)C1CCC2=NN=CN2CC1)C1=NN=N[N-]1	REAL300020167577	1	42	-1.0	-57.27	352.39	5.64	-51.63
C=CCCCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020167578	0	49	-1.0	-48.22	415.64	8.05	-40.17
C=CCCCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020167578	1	49	-1.0	-48.23	415.70	8.06	-40.17
CSCC[C@H](NC(=O)C1(C)OCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020167579	0	44	-1.0	-45.56	367.18	4.65	-40.91
CSCC[C@H](NC(=O)C1(C)OCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020167579	1	44	-1.0	-45.58	367.23	4.67	-40.91
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=C(C)C=N2)C=C1)C1=NN=N[N-]1	REAL300020167580	0	46	-1.0	-48.88	405.62	5.13	-43.75
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=C(C)C=N2)C=C1)C1=N[N-]N=N1	REAL300020167580	1	46	-1.0	-48.92	405.56	5.12	-43.80
CSCC[C@H](NC(=O)CN(C(C)=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167581	0	43	-1.0	-51.07	373.79	5.03	-46.04
CSCC[C@H](NC(=O)CN(C(C)=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167581	1	43	-1.0	-51.08	373.85	5.04	-46.04
CCNC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020167582	0	40	-1.0	-44.77	365.26	3.66	-41.11
CCNC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020167582	1	40	-1.0	-44.78	365.20	3.64	-41.14
CSCC[C@H](NC(=O)C1=C(Br)C=NN1)C1=N[N-]N=N1	REAL300020167583	0	30	-1.0	-43.11	298.49	1.18	-41.93
CSCC[C@H](NC(=O)C1=C(Br)C=NN1)C1=NN=N[N-]1	REAL300020167583	1	30	-1.0	-43.11	298.54	1.20	-41.91
CSCC[C@H](NC(=O)C1=CC=CC2=NSN=C21)C1=NN=N[N-]1	REAL300020167584	0	34	-1.0	-54.85	321.81	2.57	-52.28
CSCC[C@H](NC(=O)C1=CC=CC2=NSN=C21)C1=N[N-]N=N1	REAL300020167584	1	34	-1.0	-54.84	321.75	2.55	-52.29
CSCC[C@H](NC(=O)C1=COC2=CC(O)=CC=C12)C1=N[N-]N=N1	REAL300020167585	0	37	-1.0	-50.28	337.22	1.55	-48.73
CSCC[C@H](NC(=O)C1=COC2=CC(O)=CC=C12)C1=NN=N[N-]1	REAL300020167585	1	37	-1.0	-50.29	337.28	1.57	-48.72
CSCC[C@H](NC(=O)C1=CN=C2C=CNC2=C1)C1=N[N-]N=N1	REAL300020167586	0	36	-1.0	-49.65	323.51	2.22	-47.43
CSCC[C@H](NC(=O)C1=CN=C2C=CNC2=C1)C1=NN=N[N-]1	REAL300020167586	1	36	-1.0	-49.72	323.56	2.23	-47.49
COC1=CNC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC1=O	REAL300020167587	0	37	-1.0	-49.05	331.51	1.86	-47.19
COC1=CNC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC1=O	REAL300020167587	1	37	-1.0	-49.08	331.57	1.88	-47.20
CSCC[C@H](NC(=O)C1=C(F)C=CN=C1Cl)C1=NN=N[N-]1	REAL300020167588	0	32	-1.0	-48.14	318.44	2.58	-45.56
CSCC[C@H](NC(=O)C1=C(F)C=CN=C1Cl)C1=N[N-]N=N1	REAL300020167588	1	32	-1.0	-48.12	318.39	2.56	-45.56
CSCC[C@H](NC(=O)C1=C(C)NC(=O)NC1=S)C1=N[N-]N=N1	REAL300020167589	0	36	-1.0	-46.13	341.57	0.72	-45.41
CSCC[C@H](NC(=O)C1=C(C)NC(=O)NC1=S)C1=NN=N[N-]1	REAL300020167589	1	36	-1.0	-46.15	341.63	0.73	-45.42
CSCC[C@H](NC(=O)C1=C(C)NC(=O)[N-]C1=S)C1=N[N-]N=N1	REAL300020167589	1	35	-2.0	-91.97	338.34	-0.42	-92.39
CSCC[C@H](NC(=O)C1=C(C)NC(=O)[N-]C1=S)C1=NN=N[N-]1	REAL300020167589	1	35	-2.0	-92.00	338.40	-0.40	-92.40
CSCC[C@H](NC(=O)C(C)C1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL300020167590	0	40	-1.0	-48.07	349.11	2.45	-45.62
CSCC[C@H](NC(=O)C(C)C1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL300020167590	1	40	-1.0	-48.06	349.16	2.46	-45.60
CSCC[C@H](NC(=O)C1=C(Br)C(=O)[N-]C=N1)C1=N[N-]N=N1	REAL300020167591	0	31	-2.0	-89.73	312.04	0.41	-89.32
CSCC[C@H](NC(=O)C1=C(Br)C(=O)NC=N1)C1=N[N-]N=N1	REAL300020167591	1	32	-1.0	-53.53	315.43	1.56	-51.97
CSCC[C@H](NC(=O)C1=C(Br)C(=O)[N-]C=N1)C1=NN=N[N-]1	REAL300020167591	1	31	-2.0	-89.66	312.10	0.42	-89.24
CSCC[C@H](NC(=O)C1=C(Br)C(=O)NC=N1)C1=NN=N[N-]1	REAL300020167591	1	32	-1.0	-53.53	315.49	1.58	-51.95
CSCC[C@H](NC(=O)C1=NC=CC=C1C1=CC=CC=N1)C1=NN=N[N-]1	REAL300020167592	0	41	-1.0	-53.84	367.54	4.14	-49.70
CSCC[C@H](NC(=O)C1=NC=CC=C1C1=CC=CC=N1)C1=N[N-]N=N1	REAL300020167592	1	41	-1.0	-53.80	367.48	4.13	-49.67
CSCC[C@H](NC(=O)C1(N(C)C)COC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020167593	0	49	-1.0	-46.72	391.93	3.52	-43.20
CSCC[C@H](NC(=O)C1(N(C)C)COC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020167593	1	49	-1.0	-46.77	391.99	3.52	-43.25
CSCC[C@H](NC(=O)C(C)(C)C1=CC(C(F)(F)F)=CC=N1)C1=NN=N[N-]1	REAL300020167594	0	44	-1.0	-48.50	387.79	5.65	-42.85
CSCC[C@H](NC(=O)C(C)(C)C1=CC(C(F)(F)F)=CC=N1)C1=N[N-]N=N1	REAL300020167594	1	44	-1.0	-48.53	387.73	5.64	-42.89
CSCC[C@H](NC(=O)C1=NC=CC=C1NCC1CCC1)C1=NN=N[N-]1	REAL300020167595	0	47	-1.0	-47.87	394.40	4.45	-43.42
CSCC[C@H](NC(=O)C1=NC=CC=C1NCC1CCC1)C1=N[N-]N=N1	REAL300020167595	1	47	-1.0	-47.89	394.34	4.43	-43.46
CSCC[C@H](NC(=O)C1=C2NCC(C)CN2N=C1)C1=NN=N[N-]1	REAL300020167596	0	42	-1.0	-48.74	357.13	2.25	-46.49
CSCC[C@H](NC(=O)C1=C2NCC(C)CN2N=C1)C1=N[N-]N=N1	REAL300020167596	1	42	-1.0	-48.69	357.07	2.23	-46.46
CCNC1=CC=CN=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167597	0	40	-1.0	-47.61	346.15	2.39	-45.22
CCNC1=CC=CN=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167597	1	40	-1.0	-47.65	346.09	2.37	-45.28
COCCNC1=NC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020167598	0	44	-1.0	-52.20	397.62	1.74	-50.46
COCCNC1=NC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020167598	1	44	-1.0	-52.19	397.67	1.75	-50.44
CSCC[C@H](NC(=O)CC1=NN=C(N)S1)C1=N[N-]N=N1	REAL300020167599	0	33	-1.0	-53.79	317.58	0.00	-53.79
CSCC[C@H](NC(=O)CC1=NN=C(N)S1)C1=NN=N[N-]1	REAL300020167599	1	33	-1.0	-53.84	317.64	0.02	-53.82
CSCC[C@H](NC(=O)COC1=CC(Cl)=CC=C1C)C1=N[N-]N=N1	REAL300020167600	0	40	-1.0	-47.32	367.88	5.88	-41.44
CSCC[C@H](NC(=O)COC1=CC(Cl)=CC=C1C)C1=NN=N[N-]1	REAL300020167600	1	40	-1.0	-47.30	367.94	5.90	-41.40
CSCC[C@H](NC(=O)C1=NC(C)=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020167601	0	37	-1.0	-48.07	352.00	3.19	-44.88
CSCC[C@H](NC(=O)C1=NC(C)=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020167601	1	37	-1.0	-48.07	352.06	3.20	-44.87
CSCC[C@H](NC(=O)C1=C(C(F)F)C=CS1)C1=N[N-]N=N1	REAL300020167602	0	33	-1.0	-51.97	317.44	4.02	-47.95
CSCC[C@H](NC(=O)C1=C(C(F)F)C=CS1)C1=NN=N[N-]1	REAL300020167602	1	33	-1.0	-51.99	317.50	4.04	-47.95
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020167603	0	43	-1.0	-47.02	389.15	7.13	-39.89
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020167603	1	43	-1.0	-47.06	389.20	7.14	-39.92
CCOC(=O)C(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)C	REAL300020167604	0	44	-1.0	-54.06	372.74	4.50	-49.56
CCOC(=O)C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)C	REAL300020167604	1	44	-1.0	-54.04	372.80	4.51	-49.53
CSCC[C@H](NC(=O)C1=CSC(NC2CCCCC2)=N1)C1=NN=N[N-]1	REAL300020167605	0	47	-1.0	-45.56	405.81	4.59	-40.97
CSCC[C@H](NC(=O)C1=CSC(NC2CCCCC2)=N1)C1=N[N-]N=N1	REAL300020167605	1	47	-1.0	-45.56	405.76	4.58	-40.98
CSCC[C@H](NC(=O)CC1CCC(C)(C)CO1)C1=N[N-]N=N1	REAL300020167606	0	46	-1.0	-49.57	373.04	4.77	-44.80
CSCC[C@H](NC(=O)CC1CCC(C)(C)CO1)C1=NN=N[N-]1	REAL300020167606	1	46	-1.0	-49.64	373.10	4.78	-44.86
CSCC[C@H](NC(=O)CC(C)(C)CC(F)F)C1=N[N-]N=N1	REAL300020167607	0	41	-1.0	-44.40	339.90	4.39	-40.01
CSCC[C@H](NC(=O)CC(C)(C)CC(F)F)C1=NN=N[N-]1	REAL300020167607	1	41	-1.0	-44.42	339.96	4.40	-40.02
CSCC[C@H](NC(=O)CN1CCCCS1(=O)=O)C1=N[N-]N=N1	REAL300020167608	0	41	-1.0	-56.30	359.70	0.47	-55.83
CSCC[C@H](NC(=O)CN1CCCCS1(=O)=O)C1=NN=N[N-]1	REAL300020167608	1	41	-1.0	-56.30	359.75	0.48	-55.82
CSCC[C@H](NC(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020167609	0	37	-1.0	-46.55	352.70	4.23	-42.32
CSCC[C@H](NC(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020167609	1	37	-1.0	-46.59	352.75	4.25	-42.34
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2C=C1C)C1=NN=N[N-]1	REAL300020167610	0	41	-1.0	-48.34	356.99	5.22	-43.12
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2C=C1C)C1=N[N-]N=N1	REAL300020167610	1	41	-1.0	-48.33	356.93	5.21	-43.12
CCN1C=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020167611	0	40	-1.0	-49.69	344.40	5.03	-44.66
CCN1C=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020167611	1	40	-1.0	-49.69	344.46	5.04	-44.65
CSCC[C@H](NC(=O)C1=C(C)C=CC2=NNC=C21)C1=NN=N[N-]1	REAL300020167612	0	39	-1.0	-48.20	347.77	3.19	-45.01
CSCC[C@H](NC(=O)C1=C(C)C=CC2=NNC=C21)C1=N[N-]N=N1	REAL300020167612	1	39	-1.0	-48.22	347.72	3.17	-45.05
CSCC[C@H](NC(=O)C1CCOC2=C(F)C=CC=C21)C1=N[N-]N=N1	REAL300020167613	0	41	-1.0	-46.04	355.85	4.74	-41.30
CSCC[C@H](NC(=O)C1CCOC2=C(F)C=CC=C21)C1=NN=N[N-]1	REAL300020167613	1	41	-1.0	-46.08	355.91	4.75	-41.33
CSCC[C@H](NC(=O)C1CCC(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300020167614	0	45	-1.0	-52.81	382.52	1.67	-51.14
CSCC[C@H](NC(=O)C1CCC(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300020167614	1	45	-1.0	-52.84	382.57	1.68	-51.16
CSCC[C@H](NC(=O)CN1N=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020167615	0	38	-1.0	-55.81	345.79	3.56	-52.25
CSCC[C@H](NC(=O)CN1N=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020167615	1	38	-1.0	-55.81	345.74	3.55	-52.26
CSCC[C@H](NC(=O)[C@@H]1CCC(=O)N1C(C)C)C1=N[N-]N=N1	REAL300020167616	0	43	-1.0	-49.83	356.81	3.23	-46.60
CSCC[C@H](NC(=O)[C@@H]1CCC(=O)N1C(C)C)C1=NN=N[N-]1	REAL300020167616	1	43	-1.0	-49.83	356.87	3.25	-46.58
CSCC[C@H](NC(=O)CN1N=C(C(F)F)C=C1C1CC1)C1=N[N-]N=N1	REAL300020167617	0	43	-1.0	-50.46	388.81	5.00	-45.46
CSCC[C@H](NC(=O)CN1N=C(C(F)F)C=C1C1CC1)C1=NN=N[N-]1	REAL300020167617	1	43	-1.0	-50.50	388.86	5.02	-45.48
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC(F)=C2)S1)C1=N[N-]N=N1	REAL300020167618	0	40	-1.0	-47.23	374.06	6.85	-40.38
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC(F)=C2)S1)C1=NN=N[N-]1	REAL300020167618	1	40	-1.0	-47.21	374.12	6.87	-40.34
CCC(CC1=CC=CC(C)=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167619	0	48	-1.0	-45.20	401.17	7.26	-37.94
CCC(CC1=CC=CC(C)=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167619	1	48	-1.0	-45.16	401.23	7.28	-37.88
CSCC[C@H](NC(=O)C1=CC=CC(OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020167620	0	46	-1.0	-50.03	377.90	5.22	-44.81
CSCC[C@H](NC(=O)C1=CC=CC(OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020167620	1	46	-1.0	-50.02	377.96	5.23	-44.79
CSCC[C@H](NC(=O)C1=C(C)C=CC([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020167621	0	41	-1.0	-43.28	365.59	5.62	-37.66
CSCC[C@H](NC(=O)C1=C(C)C=CC([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020167621	1	41	-1.0	-43.23	365.64	5.64	-37.59
CSCC[C@H](NC(=O)C1(C)CC(F)(F)C1)C1=N[N-]N=N1	REAL300020167622	0	36	-1.0	-50.99	317.25	3.77	-47.22
CSCC[C@H](NC(=O)C1(C)CC(F)(F)C1)C1=NN=N[N-]1	REAL300020167622	1	36	-1.0	-50.98	317.31	3.78	-47.20
CSCC[C@H](NC(=O)C1(OC(C)C)CCC1)C1=N[N-]N=N1	REAL300020167623	0	43	-1.0	-43.67	345.81	3.17	-40.50
CSCC[C@H](NC(=O)C1(OC(C)C)CCC1)C1=NN=N[N-]1	REAL300020167623	1	43	-1.0	-43.68	345.87	3.19	-40.49
CO[C@]12CCC[C@@]1(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)CCO2	REAL300020167624	0	45	-1.0	-50.42	366.68	4.02	-46.40
CO[C@]12CCC[C@@]1(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)CCO2	REAL300020167624	1	45	-1.0	-50.43	366.74	4.03	-46.40
CSCC[C@H](NC(=O)C1(C2CCCCO2)CCOCC1)C1=N[N-]N=N1	REAL300020167625	0	51	-1.0	-47.46	393.45	3.69	-43.77
CSCC[C@H](NC(=O)C1(C2CCCCO2)CCOCC1)C1=NN=N[N-]1	REAL300020167625	1	51	-1.0	-47.45	393.51	3.71	-43.74
CSCC[C@H](NC(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)C2)C1=N[N-]N=N1	REAL300020167626	0	54	-1.0	-48.54	447.07	4.04	-44.50
CSCC[C@H](NC(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)C2)C1=NN=N[N-]1	REAL300020167626	1	54	-1.0	-48.57	447.13	4.05	-44.52
CSCC[C@H](NC(=O)C1CC(NC(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL300020167627	0	56	-1.0	-46.10	447.21	4.04	-42.06
CSCC[C@H](NC(=O)C1CC(NC(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL300020167627	1	56	-1.0	-46.09	447.26	4.05	-42.04
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020167628	0	56	-1.0	-49.87	444.53	4.64	-45.23
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020167628	1	56	-1.0	-49.90	444.58	4.66	-45.24
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC=C2OC1)C1=N[N-]N=N1	REAL300020167629	0	42	-1.0	-46.27	364.81	5.26	-41.01
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC=C2OC1)C1=NN=N[N-]1	REAL300020167629	1	42	-1.0	-46.24	364.87	5.27	-40.97
CSCC[C@H](NC(=O)C1CNC(=O)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300020167630	0	40	-1.0	-49.20	354.95	0.96	-48.24
CSCC[C@H](NC(=O)C1CNC(=O)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300020167630	1	40	-1.0	-49.18	355.00	0.97	-48.21
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020167631	0	45	-1.0	-49.10	390.69	4.49	-44.61
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020167631	1	45	-1.0	-49.07	390.75	4.50	-44.57
CSCC[C@H](NC(=O)C=CC1=CC=C(SC(F)F)C=C1)C1=N[N-]N=N1	REAL300020167632	0	41	-1.0	-47.27	381.64	6.53	-40.74
CSCC[C@H](NC(=O)C=CC1=CC=C(SC(F)F)C=C1)C1=NN=N[N-]1	REAL300020167632	1	41	-1.0	-47.27	381.70	6.55	-40.72
COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167633	0	39	-1.0	-54.87	337.64	3.68	-51.19
COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167633	1	39	-1.0	-54.86	337.70	3.69	-51.17
COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020167634	0	46	-1.0	-52.26	395.86	4.67	-47.59
COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020167634	1	46	-1.0	-52.23	395.92	4.69	-47.54
COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020167635	0	46	-1.0	-49.35	394.55	3.55	-45.80
COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167635	1	46	-1.0	-49.31	394.60	3.57	-45.74
CSCC[C@H](NC(=O)C1=COC(C=CC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020167636	0	49	-1.0	-48.53	424.29	6.22	-42.31
CSCC[C@H](NC(=O)C1=COC(C=CC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020167636	1	49	-1.0	-48.54	424.34	6.24	-42.30
COC1=CC=C(OC)C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167637	0	45	-1.0	-50.54	389.86	3.92	-46.62
COC1=CC=C(OC)C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167637	1	45	-1.0	-50.50	389.92	3.93	-46.57
CSCC[C@H](NC(=O)C=CC1=CSC=C1)C1=N[N-]N=N1	REAL300020167638	0	34	-1.0	-46.18	322.16	4.25	-41.93
CSCC[C@H](NC(=O)C=CC1=CSC=C1)C1=NN=N[N-]1	REAL300020167638	1	34	-1.0	-46.19	322.21	4.27	-41.92
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)OC(C)(C)C)O1)C1=N[N-]N=N1	REAL300020167639	0	49	-1.0	-46.08	427.85	6.37	-39.71
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)OC(C)(C)C)O1)C1=NN=N[N-]1	REAL300020167639	1	49	-1.0	-46.08	427.91	6.38	-39.70
CSCC[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167640	0	48	-1.0	-46.19	398.60	5.73	-40.46
CSCC[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167640	1	48	-1.0	-46.20	398.66	5.74	-40.46
CSCC[C@H](NC(=O)CC1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL300020167641	0	35	-1.0	-47.75	332.36	3.65	-44.10
CSCC[C@H](NC(=O)CC1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL300020167641	1	35	-1.0	-47.76	332.41	3.67	-44.09
CSCC[C@H](NC(=O)CC1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL300020167642	0	41	-1.0	-49.99	359.91	5.00	-44.99
CSCC[C@H](NC(=O)CC1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL300020167642	1	41	-1.0	-50.02	359.97	5.01	-45.01
CSCC[C@H](NC(=O)CC1=CC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020167643	0	41	-1.0	-50.29	363.27	5.12	-45.17
CSCC[C@H](NC(=O)CC1=CC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020167643	1	41	-1.0	-50.30	363.33	5.14	-45.16
CSCC[C@H](NC(=O)CC1=CSC(C2CCCC2)=N1)C1=N[N-]N=N1	REAL300020167644	0	45	-1.0	-46.90	392.63	4.99	-41.91
CSCC[C@H](NC(=O)CC1=CSC(C2CCCC2)=N1)C1=NN=N[N-]1	REAL300020167644	1	45	-1.0	-46.88	392.69	5.02	-41.86
CSCC[C@H](NC(=O)C1=NOC2=C1CC(C)(C)CC2)C1=N[N-]N=N1	REAL300020167645	0	45	-1.0	-47.47	373.80	5.02	-42.45
CSCC[C@H](NC(=O)C1=NOC2=C1CC(C)(C)CC2)C1=NN=N[N-]1	REAL300020167645	1	45	-1.0	-47.44	373.85	5.04	-42.40
CCC1=NN(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167646	0	39	-1.0	-43.56	341.31	3.16	-40.40
CCC1=NN(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167646	1	39	-1.0	-43.61	341.36	3.17	-40.44
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=C(C)C=C2)S1)C1=NN=N[N-]1	REAL300020167647	0	45	-1.0	-45.60	402.87	6.31	-39.29
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=C(C)C=C2)S1)C1=N[N-]N=N1	REAL300020167647	1	45	-1.0	-45.60	402.81	6.30	-39.30
CSCC[C@H](NC(=O)C(O)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020167648	0	40	-1.0	-45.98	369.00	3.81	-42.17
CSCC[C@H](NC(=O)C(O)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020167648	1	40	-1.0	-45.99	369.05	3.82	-42.17
CSCC[C@H](NC(=O)C1CC(=O)N(OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020167649	0	48	-1.0	-48.36	420.09	5.81	-42.55
CSCC[C@H](NC(=O)C1CC(=O)N(OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020167649	1	48	-1.0	-48.42	420.15	5.82	-42.60
CSCC[C@H](NC(=O)C(F)(F)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL300020167650	0	36	-1.0	-39.41	344.64	5.01	-34.40
CSCC[C@H](NC(=O)C(F)(F)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL300020167650	1	36	-1.0	-39.40	344.59	4.99	-34.41
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL300020167650	1	35	-2.0	-104.60	340.81	3.06	-101.54
CCN1N=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1Br	REAL300020167651	0	36	-1.0	-45.52	341.90	3.16	-42.36
CCN1N=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1Br	REAL300020167651	1	36	-1.0	-45.52	341.84	3.14	-42.38
CSCC[C@H](NC(=O)CC1=CSC(C2CC2)=N1)C1=N[N-]N=N1	REAL300020167652	0	39	-1.0	-47.48	358.65	3.94	-43.54
CSCC[C@H](NC(=O)CC1=CSC(C2CC2)=N1)C1=NN=N[N-]1	REAL300020167652	1	39	-1.0	-47.46	358.71	3.95	-43.51
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020167653	0	47	-1.0	-50.23	403.52	8.01	-42.22
CSCC[C@H](NC(=O)C1=C(C)N(CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020167653	1	47	-1.0	-50.22	403.58	8.03	-42.19
CSCC[C@H](NC(=O)C1=C(C)OC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020167654	0	36	-1.0	-45.02	345.01	3.87	-41.15
CSCC[C@H](NC(=O)C1=C(C)OC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020167654	1	36	-1.0	-45.04	345.06	3.88	-41.16
CSCC[C@H](NC(=O)C1=COC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300020167655	0	41	-1.0	-45.24	360.36	1.35	-43.89
CSCC[C@H](NC(=O)C1=COC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300020167655	1	41	-1.0	-45.27	360.30	1.33	-43.94
CSCC[C@H](NC(=O)CCC1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020167656	0	46	-1.0	-48.44	385.86	7.31	-41.13
CSCC[C@H](NC(=O)CCC1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020167656	1	46	-1.0	-48.43	385.91	7.32	-41.11
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CC=N1)C1=NN=N[N-]1	REAL300020167657	0	35	-1.0	-46.04	333.85	3.36	-42.68
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CC=N1)C1=N[N-]N=N1	REAL300020167657	1	35	-1.0	-46.06	333.80	3.35	-42.71
CSCC[C@H](NC(=O)CCC1CC(C)(C)CO1)C1=N[N-]N=N1	REAL300020167658	0	46	-1.0	-47.32	380.76	4.03	-43.29
CSCC[C@H](NC(=O)CCC1CC(C)(C)CO1)C1=NN=N[N-]1	REAL300020167658	1	46	-1.0	-47.33	380.82	4.04	-43.29
CSCC[C@H](NC(=O)C1=CN(C2CCOCC2)N=C1C)C1=N[N-]N=N1	REAL300020167659	0	47	-1.0	-48.42	393.24	3.28	-45.14
CSCC[C@H](NC(=O)C1=CN(C2CCOCC2)N=C1C)C1=NN=N[N-]1	REAL300020167659	1	47	-1.0	-48.41	393.29	3.30	-45.11
CSCC[C@H](NC(=O)CC(C)(C)CC(F)(F)F)C1=N[N-]N=N1	REAL300020167660	0	41	-1.0	-46.84	343.67	4.45	-42.39
CSCC[C@H](NC(=O)CC(C)(C)CC(F)(F)F)C1=NN=N[N-]1	REAL300020167660	1	41	-1.0	-46.82	343.73	4.47	-42.35
COC1=CC=C(CCCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020167661	0	53	-1.0	-49.28	445.30	6.33	-42.95
COC1=CC=C(CCCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020167661	1	53	-1.0	-49.32	445.36	6.34	-42.98
COC1=CC=C2CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CCC2=C1	REAL300020167662	0	47	-1.0	-46.45	391.11	5.74	-40.71
COC1=CC=C2CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CCC2=C1	REAL300020167662	1	47	-1.0	-46.46	391.16	5.75	-40.71
CSCC[C@H](NC(=O)C12CC(C(C)(C)C)(C1)C2)C1=N[N-]N=N1	REAL300020167663	0	46	-1.0	-45.64	383.06	6.13	-39.51
CSCC[C@H](NC(=O)C12CC(C(C)(C)C)(C1)C2)C1=NN=N[N-]1	REAL300020167663	1	46	-1.0	-45.66	383.12	6.15	-39.51
CSCC[C@H](NC(=O)C1CCN(C2=NC(C)=CC(C)=N2)CC1)C1=N[N-]N=N1	REAL300020167664	0	52	-1.0	-51.61	429.21	6.08	-45.53
CSCC[C@H](NC(=O)C1CCN(C2=NC(C)=CC(C)=N2)CC1)C1=NN=N[N-]1	REAL300020167664	1	52	-1.0	-51.60	429.27	6.10	-45.50
CSCC[C@H](NC(=O)C1=NC=C2C=CSC2=C1)C1=NN=N[N-]1	REAL300020167665	0	35	-1.0	-48.32	331.73	3.78	-44.54
CSCC[C@H](NC(=O)C1=NC=C2C=CSC2=C1)C1=N[N-]N=N1	REAL300020167665	1	35	-1.0	-48.35	331.68	3.77	-44.58
CSCC[C@H](NC(=O)CCN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020167666	0	44	-1.0	-57.89	386.99	4.93	-52.96
CSCC[C@H](NC(=O)CCN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020167666	1	44	-1.0	-57.88	387.05	4.95	-52.93
CSCC[C@H](NC(=O)C(C)N1C=CC(C2CC2)=N1)C1=N[N-]N=N1	REAL300020167667	0	43	-1.0	-53.82	372.61	4.74	-49.08
CSCC[C@H](NC(=O)C(C)N1C=CC(C2CC2)=N1)C1=NN=N[N-]1	REAL300020167667	1	43	-1.0	-53.80	372.66	4.76	-49.04
CSCC[C@H](NC(=O)C1=CN2N=C(C)SC2=N1)C1=N[N-]N=N1	REAL300020167668	0	35	-1.0	-50.64	335.78	2.74	-47.90
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)NC1=O)C1=N[N-]N=N1	REAL300020167669	0	42	-1.0	-55.65	360.41	3.31	-52.34
CSCC[C@H](NC(=O)C1=CC=C(C(C)C)NC1=O)C1=NN=N[N-]1	REAL300020167669	1	42	-1.0	-55.68	360.47	3.32	-52.36
CSCC[C@H](NC(=O)C1=C(C(F)F)N2N=CC=C2N=C1)C1=N[N-]N=N1	REAL300020167670	0	38	-1.0	-43.10	356.03	3.55	-39.55
CSCC[C@H](NC(=O)C1=C(C(F)F)N2N=CC=C2N=C1)C1=NN=N[N-]1	REAL300020167670	1	38	-1.0	-43.11	356.09	3.57	-39.54
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=NC=CN1)C1=N[N-]N=N1	REAL300020167671	0	40	-1.0	-61.10	354.68	5.02	-56.08
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=NC=CN1)C1=NN=N[N-]1	REAL300020167671	1	40	-1.0	-61.10	354.74	5.05	-56.05
CSCC[C@H](NC(=O)C1=CN2CCCCC2=N1)C1=N[N-]N=N1	REAL300020167672	0	40	-1.0	-50.75	344.86	4.23	-46.52
CSCC[C@H](NC(=O)C1=CN2CCCCC2=N1)C1=NN=N[N-]1	REAL300020167672	1	40	-1.0	-50.76	344.92	4.25	-46.51
CSCC[C@H](NC(=O)CC1=CC=C2C(=C1)C=NN2C)C1=NN=N[N-]1	REAL300020167673	0	42	-1.0	-50.83	371.57	4.76	-46.07
CSCC[C@H](NC(=O)CC1=CC=C2C(=C1)C=NN2C)C1=N[N-]N=N1	REAL300020167673	1	42	-1.0	-50.81	371.51	4.74	-46.07
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CN=CC=C12	REAL300020167674	0	42	-1.0	-50.09	362.49	3.93	-46.16
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CN=CC=C12	REAL300020167674	1	42	-1.0	-50.13	362.43	3.91	-46.22
CSCC[C@H](NC(=O)COC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020167675	0	36	-1.0	-49.48	328.62	2.10	-47.38
CSCC[C@H](NC(=O)COC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020167675	1	36	-1.0	-49.50	328.56	2.09	-47.41
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167676	0	40	-1.0	-45.77	375.79	4.78	-40.99
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167676	1	40	-1.0	-45.78	375.73	4.77	-41.01
CSCC[C@H](NC(=O)[C@H]1CC[C@H](OC(F)F)CC1)C1=N[N-]N=N1	REAL300020167677	0	43	-1.0	-46.90	364.99	3.61	-43.29
CSCC[C@H](NC(=O)[C@H]1CC[C@H](OC(F)F)CC1)C1=NN=N[N-]1	REAL300020167677	1	43	-1.0	-46.92	365.05	3.63	-43.29
CSCC[C@H](NC(=O)C1=CC=CC2=C1OCC2)C1=N[N-]N=N1	REAL300020167678	0	38	-1.0	-53.91	332.46	4.83	-49.08
CSCC[C@H](NC(=O)C1=CC=CC2=C1OCC2)C1=NN=N[N-]1	REAL300020167678	1	38	-1.0	-53.92	332.52	4.84	-49.08
CSCC[C@H](NC(=O)C1=C(C)OC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020167679	0	45	-1.0	-44.99	381.91	5.61	-39.38
CSCC[C@H](NC(=O)C1=C(C)OC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020167679	1	45	-1.0	-45.00	381.97	5.63	-39.37
CSCC[C@H](NC(=O)C1=CN=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020167680	0	32	-1.0	-41.31	315.19	2.75	-38.56
CSCC[C@H](NC(=O)C1=CN=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020167680	1	32	-1.0	-41.28	315.13	2.74	-38.54
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NN1C)C1=N[N-]N=N1	REAL300020167681	0	40	-1.0	-44.18	349.70	3.90	-40.28
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NN1C)C1=NN=N[N-]1	REAL300020167681	1	40	-1.0	-44.16	349.75	3.92	-40.24
CCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(Cl)=N1	REAL300020167682	0	38	-1.0	-42.31	351.87	4.15	-38.16
CCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(Cl)=N1	REAL300020167682	1	38	-1.0	-42.36	351.93	4.17	-38.19
COC1=NC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020167683	0	35	-1.0	-45.55	322.01	-1.06	-46.61
COC1=NC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020167683	1	35	-1.0	-45.53	321.96	-1.07	-46.60
CSCC[C@H](NC(=O)C1=C(C)C=C(C#N)C=C1C)C1=N[N-]N=N1	REAL300020167684	0	40	-1.0	-45.47	361.00	5.38	-40.09
CSCC[C@H](NC(=O)C1=C(C)C=C(C#N)C=C1C)C1=NN=N[N-]1	REAL300020167684	1	40	-1.0	-45.47	361.06	5.40	-40.07
CCC1=C(C)C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(=O)N1	REAL300020167685	0	42	-1.0	-56.39	360.01	3.15	-53.24
CCC1=C(C)C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(=O)N1	REAL300020167685	1	42	-1.0	-56.39	360.07	3.17	-53.22
COC1=CC=CN2N=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C12	REAL300020167686	0	40	-1.0	-54.68	351.18	4.47	-50.21
COC1=CC=CN2N=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C12	REAL300020167686	1	40	-1.0	-54.67	351.12	4.46	-50.21
CSCC[C@H](NC(=O)C1=CN(C2CCC2)N=C1)C1=NN=N[N-]1	REAL300020167687	0	40	-1.0	-46.63	347.93	3.82	-42.81
CSCC[C@H](NC(=O)C1=CN(C2CCC2)N=C1)C1=N[N-]N=N1	REAL300020167687	1	40	-1.0	-46.65	347.87	3.80	-42.85
CSCC[C@H](NC(=O)C1=C2C(=O)NC(C)=CN2N=N1)C1=N[N-]N=N1	REAL300020167688	0	38	-1.0	-58.46	345.04	1.36	-57.10
CSCC[C@H](NC(=O)C1=C2C(=O)NC(C)=CN2N=N1)C1=NN=N[N-]1	REAL300020167688	1	38	-1.0	-58.49	345.10	1.37	-57.12
CSCC[C@H](NC(=O)C1=CC=NN1C1CCC1)C1=NN=N[N-]1	REAL300020167689	0	40	-1.0	-44.98	345.39	4.03	-40.95
CSCC[C@H](NC(=O)C1=CC=NN1C1CCC1)C1=N[N-]N=N1	REAL300020167689	1	40	-1.0	-45.00	345.33	4.01	-40.99
CSCC[C@H](NC(=O)C1=CC(C(F)F)=NC=N1)C1=N[N-]N=N1	REAL300020167690	0	34	-1.0	-44.52	324.49	3.04	-41.48
CSCC[C@H](NC(=O)C1=CC(C(F)F)=NC=N1)C1=NN=N[N-]1	REAL300020167690	1	34	-1.0	-44.51	324.55	3.05	-41.46
CSCC[C@H](NC(=O)C1=C(C2CC2)OC(C2CC2)=C1)C1=N[N-]N=N1	REAL300020167691	0	44	-1.0	-46.30	384.26	6.84	-39.46
CSCC[C@H](NC(=O)C1=C(C2CC2)OC(C2CC2)=C1)C1=NN=N[N-]1	REAL300020167691	1	44	-1.0	-46.34	384.32	6.86	-39.48
CSCC[C@H](NC(=O)C1=CC(S(=O)(=O)F)=CN1)C1=N[N-]N=N1	REAL300020167692	0	34	-1.0	-51.35	332.66	-0.98	-52.33
CSCC[C@H](NC(=O)C1=CC(S(=O)(=O)F)=CN1)C1=NN=N[N-]1	REAL300020167692	1	34	-1.0	-51.35	332.72	-0.97	-52.32
CSCC[C@H](NC(=O)C1(C#N)CC2CCC1C2)C1=N[N-]N=N1	REAL300020167693	0	41	-1.0	-48.24	344.03	4.51	-43.73
CSCC[C@H](NC(=O)C1(C#N)CC2CCC1C2)C1=NN=N[N-]1	REAL300020167693	1	41	-1.0	-48.24	344.09	4.52	-43.72
CCOC(=O)N(C)CCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167694	0	46	-1.0	-50.56	397.05	3.82	-46.74
CCOC(=O)N(C)CCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167694	1	46	-1.0	-50.56	397.11	3.84	-46.72
CSCC[C@H](NC(=O)CC1CCC2(CCC2)CO1)C1=N[N-]N=N1	REAL300020167695	0	47	-1.0	-47.18	381.15	5.39	-41.79
CSCC[C@H](NC(=O)CC1CCC2(CCC2)CO1)C1=NN=N[N-]1	REAL300020167695	1	47	-1.0	-47.17	381.20	5.41	-41.76
CSCC[C@H](NC(=O)CC1CCC2(CCOCC2)CO1)C1=N[N-]N=N1	REAL300020167696	0	51	-1.0	-47.61	399.19	3.99	-43.62
CSCC[C@H](NC(=O)CC1CCC2(CCOCC2)CO1)C1=NN=N[N-]1	REAL300020167696	1	51	-1.0	-47.59	399.25	4.01	-43.58
CSCC[C@H](NC(=O)C1CC2CCC(C1)S2)C1=N[N-]N=N1	REAL300020167697	0	41	-1.0	-45.19	338.33	4.92	-40.27
CSCC[C@H](NC(=O)C1CC2CCC(C1)S2)C1=NN=N[N-]1	REAL300020167697	1	41	-1.0	-45.19	338.39	4.94	-40.25
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1=N[N-]N=N1	REAL300020167698	0	41	-1.0	-46.64	347.06	3.59	-43.05
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1=NN=N[N-]1	REAL300020167698	1	41	-1.0	-46.65	347.11	3.61	-43.04
CSCC[C@H](NC(=O)C1=CSC=C1C(F)F)C1=N[N-]N=N1	REAL300020167699	0	33	-1.0	-53.78	316.68	3.96	-49.82
CSCC[C@H](NC(=O)C1=CSC=C1C(F)F)C1=NN=N[N-]1	REAL300020167699	1	33	-1.0	-53.76	316.74	3.97	-49.79
COC1=CC=C(CCCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020167700	0	50	-1.0	-51.71	423.80	5.55	-46.16
COC1=CC=C(CCCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020167700	1	50	-1.0	-51.71	423.86	5.56	-46.15
CSCC[C@H](NC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)C1=N[N-]N=N1	REAL300020167701	0	40	-1.0	-43.32	360.11	6.16	-37.16
CSCC[C@H](NC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)C1=NN=N[N-]1	REAL300020167701	1	40	-1.0	-43.38	360.17	6.17	-37.21
CSCC[C@H](NC(=O)CCC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL300020167702	0	40	-1.0	-46.02	354.58	2.71	-43.31
CSCC[C@H](NC(=O)CCC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL300020167702	1	40	-1.0	-46.02	354.64	2.73	-43.29
CSCC[C@H](NC(=O)C1=CC=CC(O)=C1F)C1=N[N-]N=N1	REAL300020167703	0	34	-1.0	-53.65	312.91	1.32	-52.33
CSCC[C@H](NC(=O)C1=CC=CC(O)=C1F)C1=NN=N[N-]1	REAL300020167703	1	34	-1.0	-53.64	312.97	1.33	-52.31
CSCC[C@H](NC(=O)C1=CN=C(Cl)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020167704	0	35	-1.0	-44.01	340.11	3.78	-40.23
CSCC[C@H](NC(=O)C1=CN=C(Cl)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020167704	1	35	-1.0	-44.02	340.06	3.77	-40.25
CSCC[C@H](NC(=O)C1=CC=CC2=C1C(=O)N=CN2)C1=NN=N[N-]1	REAL300020167705	0	38	-1.0	-83.98	341.82	3.71	-80.27
CSCC[C@H](NC(=O)C1=CC=CC2=C1C(=O)N=CN2)C1=N[N-]N=N1	REAL300020167705	1	38	-1.0	-83.97	341.76	3.69	-80.28
CSCC[C@H](NC(=O)CC1=CC=C(O)C=C1C)C1=N[N-]N=N1	REAL300020167706	0	40	-1.0	-48.78	349.93	2.39	-46.39
CSCC[C@H](NC(=O)CC1=CC=C(O)C=C1C)C1=NN=N[N-]1	REAL300020167706	1	40	-1.0	-48.80	349.99	2.41	-46.39
CSCC[C@H](NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300020167707	0	48	0.0	-68.31	398.38	6.81	-61.50
CSCC[C@H](NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300020167707	1	48	0.0	-68.28	398.43	6.83	-61.45
CSCC[C@H](NC(=O)C1=CNC2=CC(=O)C=CC2=C1)C1=N[N-]N=N1	REAL300020167708	0	39	-1.0	-53.18	348.67	3.89	-49.29
CSCC[C@H](NC(=O)C1=CNC2=CC(=O)C=CC2=C1)C1=NN=N[N-]1	REAL300020167708	1	39	-1.0	-53.19	348.72	3.91	-49.28
CSCC[C@H](NC(=O)C1CCC(Cl)CC1)C1=N[N-]N=N1	REAL300020167709	0	39	-1.0	-44.35	339.90	4.86	-39.49
CSCC[C@H](NC(=O)C1CCC(Cl)CC1)C1=NN=N[N-]1	REAL300020167709	1	39	-1.0	-44.37	339.95	4.87	-39.50
CSCC[C@H](NC(=O)C=C[C@H]1COC(C)(C)O1)C1=N[N-]N=N1	REAL300020167710	0	42	-1.0	-47.37	365.70	2.76	-44.61
CSCC[C@H](NC(=O)C=C[C@H]1COC(C)(C)O1)C1=NN=N[N-]1	REAL300020167710	1	42	-1.0	-47.39	365.76	2.78	-44.61
CSCC[C@H](NC(=O)C1=CS(=O)CCC1)C1=N[N-]N=N1	REAL300020167711	0	36	-1.0	-54.47	322.05	1.39	-53.08
CSCC[C@H](NC(=O)C1=CS(=O)CCC1)C1=NN=N[N-]1	REAL300020167711	1	36	-1.0	-54.52	322.11	1.40	-53.12
CSCC[C@H](NC(=O)C1CCCC(=O)N1C)C1=N[N-]N=N1	REAL300020167712	0	40	-1.0	-49.24	337.24	2.33	-46.91
CSCC[C@H](NC(=O)C1CCCC(=O)N1C)C1=NN=N[N-]1	REAL300020167712	1	40	-1.0	-49.23	337.30	2.34	-46.89
CSCC[C@H](NC(=O)C1=C(Cl)C=CN=C1Br)C1=NN=N[N-]1	REAL300020167713	0	32	-1.0	-45.55	332.33	3.04	-42.51
CSCC[C@H](NC(=O)C1=C(Cl)C=CN=C1Br)C1=N[N-]N=N1	REAL300020167713	1	32	-1.0	-45.53	332.28	3.02	-42.51
CSCC[C@H](NC(=O)C1(CS(C)(=O)=O)COC1)C1=N[N-]N=N1	REAL300020167714	0	40	-1.0	-55.67	353.35	-0.24	-55.91
CSCC[C@H](NC(=O)C1(CS(C)(=O)=O)COC1)C1=NN=N[N-]1	REAL300020167714	1	40	-1.0	-55.68	353.41	-0.23	-55.91
CSCC[C@H](NC(=O)[C@@H]1CC[C@H](CN2C=CN=C2)O1)C1=N[N-]N=N1	REAL300020167715	0	44	-1.0	-54.68	381.23	5.65	-49.03
CSCC[C@H](NC(=O)[C@@H]1CC[C@H](CN2C=CN=C2)O1)C1=NN=N[N-]1	REAL300020167715	1	44	-1.0	-54.70	381.29	5.66	-49.04
CSCC[C@H](NC(=O)COC1=NSC=C1)C1=NN=N[N-]1	REAL300020167716	0	33	-1.0	-47.80	318.40	1.13	-46.67
CSCC[C@H](NC(=O)COC1=NSC=C1)C1=N[N-]N=N1	REAL300020167716	1	33	-1.0	-47.85	318.34	1.12	-46.73
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C=O)C=C2)C=C1)C1=N[N-]N=N1	REAL300020167717	0	45	-1.0	-51.98	394.80	7.23	-44.75
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C=O)C=C2)C=C1)C1=NN=N[N-]1	REAL300020167717	1	45	-1.0	-51.98	394.86	7.24	-44.74
CSCC[C@H](NC(=O)C1=NN(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300020167718	0	42	-1.0	-50.15	361.69	4.31	-45.84
CSCC[C@H](NC(=O)C1=NN(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300020167718	1	42	-1.0	-50.13	361.64	4.30	-45.83
CSCC[C@H](NC(=O)CCCC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020167719	0	42	-1.0	-47.12	386.35	6.97	-40.15
CSCC[C@H](NC(=O)CCCC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020167719	1	42	-1.0	-47.08	386.40	6.99	-40.09
CSCC[C@H](NC(=O)C1=NN(C2=CC(F)=CC(F)=C2)C=C1)C1=NN=N[N-]1	REAL300020167720	0	40	-1.0	-47.55	371.79	5.39	-42.16
CSCC[C@H](NC(=O)C1=NN(C2=CC(F)=CC(F)=C2)C=C1)C1=N[N-]N=N1	REAL300020167720	1	40	-1.0	-47.55	371.73	5.37	-42.18
CSCC[C@H](NC(=O)CCCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167721	0	45	-1.0	-46.17	386.55	7.13	-39.04
CSCC[C@H](NC(=O)CCCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167721	1	45	-1.0	-46.14	386.61	7.15	-38.99
CSCC[C@H](NC(=O)CC1CC(C)(C)CO1)C1=N[N-]N=N1	REAL300020167722	0	43	-1.0	-50.64	358.65	3.60	-47.04
CSCC[C@H](NC(=O)CC1CC(C)(C)CO1)C1=NN=N[N-]1	REAL300020167722	1	43	-1.0	-50.63	358.70	3.61	-47.02
CSCC[C@H](NC(=O)C1=NN2CCCC2=C1Br)C1=N[N-]N=N1	REAL300020167723	0	37	-1.0	-51.55	346.18	3.31	-48.24
CSCC[C@H](NC(=O)C1=NN2CCCC2=C1Br)C1=NN=N[N-]1	REAL300020167723	1	37	-1.0	-51.59	346.24	3.33	-48.26
CSCC[C@H](NC(=O)CC[N@@H+]1CCC(F)C1)C1=NN=N[N-]1	REAL300020167724	0	42	0.0	-63.39	351.82	4.27	-59.12
CSCC[C@H](NC(=O)CC[N@H+]1CCC(F)C1)C1=NN=N[N-]1	REAL300020167724	1	42	0.0	-63.22	351.98	4.33	-58.89
CSCC[C@H](NC(=O)CCN1CCC(F)C1)C1=N[N-]N=N1	REAL300020167724	1	41	-1.0	-43.85	349.20	1.88	-41.97
CSCC[C@H](NC(=O)CCN1CCC(F)C1)C1=NN=N[N-]1	REAL300020167724	1	41	-1.0	-43.88	349.26	1.90	-41.98
C=CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020167725	0	54	-1.0	-59.71	449.67	5.00	-54.71
C=CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020167725	1	54	-1.0	-59.75	449.73	5.01	-54.74
CSCC[C@H](NC(=O)CC1=CN=C2NC=CC(Cl)=C12)C1=N[N-]N=N1	REAL300020167726	0	39	-1.0	-61.74	361.20	4.43	-57.31
CSCC[C@H](NC(=O)CC1=CN=C2NC=CC(Cl)=C12)C1=NN=N[N-]1	REAL300020167726	1	39	-1.0	-61.76	361.25	4.45	-57.31
CSCC[C@H](NC(=O)C1=CC=NC(CO)=C1)C1=N[N-]N=N1	REAL300020167727	0	36	-1.0	-49.10	323.51	-0.25	-49.35
CSCC[C@H](NC(=O)C1=CC=NC(CO)=C1)C1=NN=N[N-]1	REAL300020167727	1	36	-1.0	-49.06	323.56	-0.23	-49.29
COC(=O)C1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020167728	0	35	-1.0	-48.77	342.12	1.88	-46.89
COC(=O)C1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020167728	1	35	-1.0	-48.72	342.07	1.87	-46.85
CCNC1=CC=C(C)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167729	0	44	-1.0	-45.90	370.11	4.76	-41.14
CCNC1=CC=C(C)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167729	1	44	-1.0	-45.92	370.17	4.78	-41.14
CSCC[C@H](NC(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020167730	0	36	-1.0	-49.03	348.73	5.26	-43.77
CSCC[C@H](NC(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020167730	1	36	-1.0	-49.00	348.78	5.28	-43.72
CSCC[C@H](NC(=O)C1=NC=CC(C)=C1O)C1=N[N-]N=N1	REAL300020167731	0	36	-1.0	-48.59	323.92	1.60	-46.99
CSCC[C@H](NC(=O)C1=NC=CC(C)=C1O)C1=NN=N[N-]1	REAL300020167731	1	36	-1.0	-48.63	323.98	1.61	-47.02
CSCC[C@H](NC(=O)CC1=COC2=C(C)C(Cl)=CC=C12)C1=N[N-]N=N1	REAL300020167732	0	42	-1.0	-49.64	385.40	6.21	-43.43
CSCC[C@H](NC(=O)CC1=COC2=C(C)C(Cl)=CC=C12)C1=NN=N[N-]1	REAL300020167732	1	42	-1.0	-49.67	385.46	6.23	-43.44
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1N)C1=N[N-]N=N1	REAL300020167733	0	43	-1.0	-48.28	382.12	5.51	-42.77
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1N)C1=NN=N[N-]1	REAL300020167733	1	43	-1.0	-48.27	382.18	5.53	-42.74
CSCC[C@H](NC(=O)C1=CC=C(CN(C)C)O1)C1=N[N-]N=N1	REAL300020167734	0	41	-1.0	-46.06	358.81	1.74	-44.32
CSCC[C@H](NC(=O)C1=CC=C(CN(C)C)O1)C1=NN=N[N-]1	REAL300020167734	1	41	-1.0	-46.05	358.86	1.76	-44.29
CSCC[C@H](NC(=O)C1=CC=C(C[NH+](C)C)O1)C1=NN=N[N-]1	REAL300020167734	1	42	0.0	-68.73	361.28	4.24	-64.49
CSCC[C@H](NC(=O)C1CCC[N@@H+](C(C)C)C1)C1=NN=N[N-]1	REAL300020167735	0	48	0.0	-57.33	376.66	5.31	-52.02
CSCC[C@H](NC(=O)C1CCC[N@H+](C(C)C)C1)C1=NN=N[N-]1	REAL300020167735	1	48	0.0	-58.82	376.70	5.31	-53.51
CSCC[C@H](NC(=O)C1CCC[N@@H+](C(C)C)C1)C1=N[N-]N=N1	REAL300020167735	1	48	0.0	-57.32	376.60	5.29	-52.03
CSCC[C@H](NC(=O)C1CCC[N@H+](C(C)C)C1)C1=N[N-]N=N1	REAL300020167735	1	48	0.0	-58.82	376.64	5.29	-53.53
CSCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=NN=N[N-]1	REAL300020167736	0	46	0.0	-67.75	387.70	5.45	-62.30
CSCC[C@H](NC(=O)C1=CC=C(CN2CCCC2)O1)C1=N[N-]N=N1	REAL300020167736	1	45	-1.0	-45.32	384.07	2.85	-42.47
CSCC[C@H](NC(=O)C1=CC=C(CN2CCCC2)O1)C1=NN=N[N-]1	REAL300020167736	1	45	-1.0	-45.28	384.12	2.86	-42.42
CSCC[C@H](NC(=O)C1=CC=NC=C1NC(C)=O)C1=NN=N[N-]1	REAL300020167737	0	39	-1.0	-45.80	344.46	1.62	-44.18
CSCC[C@H](NC(=O)C1=CC=NC=C1NC(C)=O)C1=N[N-]N=N1	REAL300020167737	1	39	-1.0	-45.81	344.40	1.60	-44.21
CCC[N@@H+]1CCCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167738	0	48	0.0	-58.45	381.51	5.53	-52.92
CCC[N@H+]1CCCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167738	1	48	0.0	-60.51	381.51	5.53	-54.98
CCC[N@@H+]1CCCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020167738	1	48	0.0	-58.41	381.45	5.52	-52.89
CCC[N@H+]1CCCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020167738	1	48	0.0	-60.53	381.46	5.52	-55.01
CSCC[C@H](NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300020167739	0	42	0.0	-54.08	355.18	4.03	-50.05
CSCC[C@H](NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300020167739	1	42	0.0	-61.56	351.70	4.13	-57.43
CSCC[C@H](NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300020167739	1	42	0.0	-54.09	355.12	4.01	-50.08
CSCC[C@H](NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300020167739	1	42	0.0	-61.52	351.64	4.11	-57.41
CSCC[C@H](NC(=O)C(C)CC[NH+](C)C)C1=N[N-]N=N1	REAL300020167740	0	44	0.0	-62.66	357.77	4.37	-58.29
CSCC[C@H](NC(=O)C(C)CC[NH+](C)C)C1=NN=N[N-]1	REAL300020167740	1	44	0.0	-62.73	357.83	4.39	-58.34
CSCC[C@H](NC(=O)C(C)(C)[C@@H]1CCC[C@H](C(F)(F)F)N1)C1=N[N-]N=N1	REAL300020167741	0	50	-1.0	-48.40	405.33	4.03	-44.37
CSCC[C@H](NC(=O)C(C)(C)[C@@H]1CCC[C@H](C(F)(F)F)N1)C1=NN=N[N-]1	REAL300020167741	1	50	-1.0	-48.43	405.39	4.05	-44.38
CSCC[C@H](NC(=O)C1=NC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300020167742	0	32	-2.0	-103.93	321.35	2.51	-101.42
CSCC[C@H](NC(=O)C1=NC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300020167742	1	32	-2.0	-103.90	321.41	2.52	-101.38
CSCC[C@H](NC(=O)C1=NC=C(Br)C=C1O)C1=N[N-]N=N1	REAL300020167742	1	33	-1.0	-43.85	324.91	1.51	-42.34
CSCC[C@H](NC(=O)C1=NC=C(Br)C=C1O)C1=NN=N[N-]1	REAL300020167742	1	33	-1.0	-43.88	324.97	1.53	-42.35
CCCCC(O)CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167743	0	45	-1.0	-44.61	379.21	2.42	-42.19
CCCCC(O)CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167743	1	45	-1.0	-44.60	379.27	2.43	-42.17
CSCC[C@H](NC(=O)CC1=NC(C2CCCC2)=CS1)C1=N[N-]N=N1	REAL300020167744	0	45	-1.0	-50.60	390.76	4.95	-45.65
CSCC[C@H](NC(=O)CC1=NC(C2CCCC2)=CS1)C1=NN=N[N-]1	REAL300020167744	1	45	-1.0	-50.60	390.82	4.97	-45.63
CSCC[C@H](NC(=O)C1=CC(C2=CC=CN=C2)=NN1C)C1=NN=N[N-]1	REAL300020167745	0	42	-1.0	-44.86	372.57	3.62	-41.24
CSCC[C@H](NC(=O)C1=CC(C2=CC=CN=C2)=NN1C)C1=N[N-]N=N1	REAL300020167745	1	42	-1.0	-44.87	372.52	3.61	-41.26
CSCC[C@H](NC(=O)C1=CC(C2=CC=NC=C2)=NN1C)C1=N[N-]N=N1	REAL300020167746	0	42	-1.0	-44.97	372.64	3.64	-41.33
CSCC[C@H](NC(=O)C1=CC(C2=CC=NC=C2)=NN1C)C1=NN=N[N-]1	REAL300020167746	1	42	-1.0	-45.02	372.70	3.65	-41.37
CSCC[C@H](NC(=O)C1=C2CS(=O)(=O)CCC2=NN1C)C1=N[N-]N=N1	REAL300020167747	0	43	-1.0	-50.99	385.18	0.14	-50.85
CSCC[C@H](NC(=O)C1=C2CS(=O)(=O)CCC2=NN1C)C1=NN=N[N-]1	REAL300020167747	1	43	-1.0	-50.96	385.23	0.16	-50.80
CCN1N=C(C2CC2)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167748	0	43	-1.0	-44.32	371.44	4.76	-39.56
CCN1N=C(C2CC2)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167748	1	43	-1.0	-44.34	371.50	4.77	-39.57
CSCC[C@H](NC(=O)C1=C2N=CC(C)=CN2N=C1)C1=NN=N[N-]1	REAL300020167749	0	38	-1.0	-57.21	343.16	3.65	-53.56
CSCC[C@H](NC(=O)C1=C2N=CC(C)=CN2N=C1)C1=N[N-]N=N1	REAL300020167749	1	38	-1.0	-57.20	343.11	3.64	-53.56
CSCC[C@H](NC(=O)CC1CCC2(CCC2)O1)C1=N[N-]N=N1	REAL300020167750	0	44	-1.0	-53.07	366.31	4.80	-48.27
CSCC[C@H](NC(=O)CC1CCC2(CCC2)O1)C1=NN=N[N-]1	REAL300020167750	1	44	-1.0	-53.06	366.37	4.82	-48.24
CSCC[C@H](NC(=O)C1CCOC2(CCC2)C1)C1=N[N-]N=N1	REAL300020167751	0	44	-1.0	-44.89	359.00	3.79	-41.10
CSCC[C@H](NC(=O)C1CCOC2(CCC2)C1)C1=NN=N[N-]1	REAL300020167751	1	44	-1.0	-44.94	359.06	3.80	-41.14
COC1=CC2=CC=C(C=CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2C=C1	REAL300020167752	0	47	-1.0	-48.42	407.63	6.83	-41.59
COC1=CC2=CC=C(C=CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2C=C1	REAL300020167752	1	47	-1.0	-48.47	407.69	6.84	-41.63
CSCC[C@H](NC(=O)CC1=NC(C2CCCCC2)=CS1)C1=N[N-]N=N1	REAL300020167753	0	48	-1.0	-50.81	409.78	5.61	-45.20
CSCC[C@H](NC(=O)CC1=NC(C2CCCCC2)=CS1)C1=NN=N[N-]1	REAL300020167753	1	48	-1.0	-50.81	409.84	5.63	-45.18
CSCC[C@H](NC(=O)CC1=NN=C(C2CCOCC2)N1)C1=N[N-]N=N1	REAL300020167754	0	46	-1.0	-53.95	390.50	2.71	-51.24
CSCC[C@H](NC(=O)CC1=NN=C(C2CCOCC2)N1)C1=NN=N[N-]1	REAL300020167754	1	46	-1.0	-53.97	390.56	2.73	-51.24
CSCC[C@H](NC(=O)CC1=NNC(C2CCOCC2)=N1)C1=N[N-]N=N1	REAL300020167754	1	46	-1.0	-51.55	391.72	2.12	-49.43
CSCC[C@H](NC(=O)C1CCC=CCCC1)C1=N[N-]N=N1	REAL300020167755	0	43	-1.0	-44.25	342.12	5.17	-39.08
CSCC[C@H](NC(=O)C1CCC=CCCC1)C1=NN=N[N-]1	REAL300020167755	1	43	-1.0	-44.23	342.18	5.19	-39.04
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2C=C1C1CC1)C1=NN=N[N-]1	REAL300020167756	0	45	-1.0	-49.31	384.81	6.60	-42.71
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2C=C1C1CC1)C1=N[N-]N=N1	REAL300020167756	1	45	-1.0	-49.33	384.75	6.58	-42.75
CSCC[C@H](NC(=O)C1=C2CCCC2=NN1C)C1=N[N-]N=N1	REAL300020167757	0	40	-1.0	-44.57	348.24	3.58	-40.99
CSCC[C@H](NC(=O)C1=C2CCCC2=NN1C)C1=NN=N[N-]1	REAL300020167757	1	40	-1.0	-44.58	348.29	3.59	-40.99
CSCC[C@H](NC(=O)C1=CC=NN1C1CC1)C1=NN=N[N-]1	REAL300020167758	0	37	-1.0	-44.67	329.08	3.49	-41.18
CSCC[C@H](NC(=O)C1=CC=NN1C1CC1)C1=N[N-]N=N1	REAL300020167758	1	37	-1.0	-44.65	329.02	3.49	-41.16
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C1=N[N-]N=N1	REAL300020167759	0	41	-1.0	-62.69	361.56	5.97	-56.72
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C1=NN=N[N-]1	REAL300020167759	1	41	-1.0	-62.68	361.62	5.97	-56.71
CSCC[C@H](NC(=O)C1=CN(C)N=C1Br)C1=NN=N[N-]1	REAL300020167760	0	33	-1.0	-50.65	321.47	2.33	-48.32
CSCC[C@H](NC(=O)C1=CN(C)N=C1Br)C1=N[N-]N=N1	REAL300020167760	1	33	-1.0	-50.65	321.42	2.32	-48.33
CSCC[C@H](NC(=O)C1=CC(F)=NC=C1C)C1=NN=N[N-]1	REAL300020167761	0	35	-1.0	-42.45	315.42	2.94	-39.51
CSCC[C@H](NC(=O)C1=CC(F)=NC=C1C)C1=N[N-]N=N1	REAL300020167761	1	35	-1.0	-42.45	315.36	2.93	-39.52
CSCC[C@H](NC(=O)C1CC2(C1)CC(F)(F)C2)C1=N[N-]N=N1	REAL300020167762	0	40	-1.0	-44.70	350.99	5.10	-39.60
CSCC[C@H](NC(=O)C1CC2(C1)CC(F)(F)C2)C1=NN=N[N-]1	REAL300020167762	1	40	-1.0	-44.70	351.05	5.11	-39.59
CSCC[C@H](NC(=O)[C@@H](C)N1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020167763	0	44	-1.0	-56.46	380.09	5.78	-50.68
CSCC[C@H](NC(=O)[C@@H](C)N1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020167763	1	44	-1.0	-56.45	380.15	5.80	-50.65
CSCC[C@H](NC(=O)C1=COC2=C1C(=O)NCCC2)C1=N[N-]N=N1	REAL300020167764	0	41	-1.0	-63.47	356.04	1.95	-61.52
CSCC[C@H](NC(=O)C1=COC2=C1C(=O)NCCC2)C1=NN=N[N-]1	REAL300020167764	1	41	-1.0	-63.43	356.10	1.97	-61.46
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N=C(C)NC2=C1)C1=N[N-]N=N1	REAL300020167765	0	41	-1.0	-52.66	364.84	2.33	-50.33
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N=C(C)NC2=C1)C1=NN=N[N-]1	REAL300020167765	1	41	-1.0	-52.70	364.89	2.35	-50.35
CSCC[C@H](NC(=O)CC1=C(C)N=C(CC(F)(F)F)S1)C1=N[N-]N=N1	REAL300020167766	0	41	-1.0	-47.80	388.89	4.39	-43.41
CSCC[C@H](NC(=O)CC1=C(C)N=C(CC(F)(F)F)S1)C1=NN=N[N-]1	REAL300020167766	1	41	-1.0	-47.78	388.95	4.41	-43.37
CSCC[C@H](NC(=O)CCC(=O)N[C@@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167767	0	49	-1.0	-46.07	420.69	4.78	-41.29
CSCC[C@H](NC(=O)CCC(=O)N[C@@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167767	1	49	-1.0	-46.14	420.74	4.80	-41.34
CSCC[C@H](NC(=O)C1=CC2=C(Cl)C=NC=C2S1)C1=NN=N[N-]1	REAL300020167768	0	35	-1.0	-43.97	347.71	4.21	-39.76
CSCC[C@H](NC(=O)C1=CC2=C(Cl)C=NC=C2S1)C1=N[N-]N=N1	REAL300020167768	1	35	-1.0	-44.00	347.66	4.19	-39.81
CSCC[C@H](NC(=O)C1=C(C#N)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020167769	0	38	-1.0	-50.94	350.77	4.44	-46.50
CSCC[C@H](NC(=O)C1=C(C#N)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020167769	1	38	-1.0	-50.93	350.71	4.43	-46.50
CSCC[C@H](NC(=O)C1=CC(Cl)=C(N)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020167770	0	37	-1.0	-45.55	350.67	3.41	-42.14
CSCC[C@H](NC(=O)C1=CC(Cl)=C(N)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020167770	1	37	-1.0	-45.52	350.73	3.43	-42.09
CNC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=C1	REAL300020167771	0	38	-1.0	-49.47	344.86	3.40	-46.07
CNC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=C1	REAL300020167771	1	38	-1.0	-49.51	344.92	3.42	-46.09
CSCC[C@H](NC(=O)CC1=COC2=C(F)C(F)=CC=C12)C1=N[N-]N=N1	REAL300020167772	0	39	-1.0	-48.91	362.77	5.25	-43.66
CSCC[C@H](NC(=O)CC1=COC2=C(F)C(F)=CC=C12)C1=NN=N[N-]1	REAL300020167772	1	39	-1.0	-48.91	362.83	5.26	-43.65
CCSC1=CC=CC=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167773	0	43	-1.0	-49.83	381.09	6.52	-43.31
CCSC1=CC=CC=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167773	1	43	-1.0	-49.86	381.15	6.53	-43.33
C=CCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020167774	0	49	-1.0	-48.90	425.45	5.99	-42.91
C=CCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020167774	1	49	-1.0	-48.90	425.51	6.01	-42.89
CCCCC1=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020167775	0	52	-1.0	-47.21	448.60	8.94	-38.27
CCCCC1=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020167775	1	52	-1.0	-47.20	448.66	8.97	-38.23
CSCC[C@H](NC(=O)C(O)C1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300020167776	0	37	-1.0	-43.51	351.56	3.42	-40.09
CSCC[C@H](NC(=O)C(O)C1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300020167776	1	37	-1.0	-43.48	351.62	3.44	-40.04
CSCC[C@H](NC(=O)CC1=C(C)N=C(C)S1)C1=N[N-]N=N1	REAL300020167777	0	38	-1.0	-48.50	348.41	3.26	-45.24
CSCC[C@H](NC(=O)CC1=C(C)N=C(C)S1)C1=NN=N[N-]1	REAL300020167777	1	38	-1.0	-48.50	348.47	3.27	-45.23
CSCC[C@H](NC(=O)COCC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020167778	0	39	-1.0	-50.11	349.40	3.45	-46.66
CSCC[C@H](NC(=O)COCC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020167778	1	39	-1.0	-50.07	349.45	3.47	-46.60
CSCC[C@H](NC(=O)C=CC1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL300020167779	0	40	-1.0	-48.21	371.73	6.45	-41.76
CSCC[C@H](NC(=O)C=CC1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL300020167779	1	40	-1.0	-48.22	371.79	6.46	-41.76
CSCC[C@H](NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167780	0	50	-1.0	-54.84	414.91	2.95	-51.89
CSCC[C@H](NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167780	1	50	-1.0	-54.84	414.97	2.96	-51.88
CSCC[C@H](NC(=O)C1=CC=C2OCCCOC2=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020167781	0	44	-1.0	-58.23	387.31	5.87	-52.36
CSCC[C@H](NC(=O)C1=CC=C2OCCCOC2=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020167781	1	44	-1.0	-58.24	387.37	5.88	-52.36
COC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020167782	0	42	-1.0	-46.78	370.66	2.27	-44.51
COC1=CC=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020167782	1	42	-1.0	-46.76	370.60	2.26	-44.50
CSCC[C@H](NC(=O)C1=NN(C)C(NC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020167783	0	50	-1.0	-53.72	423.77	2.81	-50.91
CSCC[C@H](NC(=O)C1=NN(C)C(NC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020167783	1	50	-1.0	-53.73	423.83	2.83	-50.90
CSCC[C@H](NC(=O)C(CC1CC1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167784	0	53	-1.0	-46.51	439.06	4.50	-42.01
CSCC[C@H](NC(=O)C(CC1CC1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167784	1	53	-1.0	-46.53	439.12	4.52	-42.01
CSCC[C@H](NC(=O)CC1CCC2=C(C=CS2)C1=O)C1=N[N-]N=N1	REAL300020167785	0	42	-1.0	-63.11	372.52	6.64	-56.47
CSCC[C@H](NC(=O)CC1CCC2=C(C=CS2)C1=O)C1=NN=N[N-]1	REAL300020167785	1	42	-1.0	-63.09	372.57	6.66	-56.43
CCN1C=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167786	0	37	-1.0	-45.05	340.94	4.93	-40.12
CCN1C=C(Cl)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167786	1	37	-1.0	-45.03	341.00	4.94	-40.09
CSCC[C@H](NC(=O)C1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]12)C1=N[N-]N=N1	REAL300020167787	0	54	-1.0	-57.56	420.03	6.88	-50.68
CSCC[C@H](NC(=O)C1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]12)C1=NN=N[N-]1	REAL300020167787	1	54	-1.0	-57.55	420.09	6.89	-50.66
CSCC[C@H](NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020167788	0	53	-1.0	-49.85	435.92	3.65	-46.20
CSCC[C@H](NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020167788	1	53	-1.0	-49.87	435.98	3.67	-46.20
CSCC[C@H](NC(=O)C1CCC2=NNC=C2C1C)C1=N[N-]N=N1	REAL300020167789	0	43	-1.0	-50.33	353.24	3.02	-47.31
CSCC[C@H](NC(=O)C1CCC2=NNC=C2C1C)C1=NN=N[N-]1	REAL300020167789	1	43	-1.0	-50.32	353.30	3.04	-47.28
COC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCSC1	REAL300020167790	0	38	-1.0	-45.90	330.60	2.32	-43.58
COC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCSC1	REAL300020167790	1	38	-1.0	-45.89	330.66	2.34	-43.55
COC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCS(=O)(=O)C1	REAL300020167791	0	40	-1.0	-50.78	347.90	-1.13	-51.91
COC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCS(=O)(=O)C1	REAL300020167791	1	40	-1.0	-50.79	347.96	-1.13	-51.92
CSCC[C@H](NC(=O)C1=CC=CN=C1C(F)F)C1=N[N-]N=N1	REAL300020167792	0	35	-1.0	-45.65	322.06	3.18	-42.47
CSCC[C@H](NC(=O)C1=CC=CN=C1C(F)F)C1=NN=N[N-]1	REAL300020167792	1	35	-1.0	-45.64	322.12	3.20	-42.44
CSCC[C@H](NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)S1)C1=N[N-]N=N1	REAL300020167793	0	46	-1.0	-49.30	408.70	3.05	-46.25
CSCC[C@H](NC(=O)C1=CN=C(NC(=O)OC(C)(C)C)S1)C1=NN=N[N-]1	REAL300020167793	1	46	-1.0	-49.31	408.75	3.06	-46.25
CSCC[C@H](NC(=O)CONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167794	0	44	-1.0	-55.04	381.08	2.25	-52.79
CSCC[C@H](NC(=O)CONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167794	1	44	-1.0	-55.08	381.14	2.27	-52.81
CSCC[C@H](NC(=O)CCCCN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167795	0	55	-1.0	-52.07	451.57	5.70	-46.37
CSCC[C@H](NC(=O)CCCCN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167795	1	55	-1.0	-52.05	451.63	5.71	-46.34
CSCC[C@H](NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167796	0	51	-1.0	-49.57	412.78	3.13	-46.44
CSCC[C@H](NC(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167796	1	51	-1.0	-49.61	412.84	3.14	-46.47
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167797	0	42	-1.0	-56.54	361.33	4.47	-52.07
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167797	1	42	-1.0	-56.49	361.39	4.48	-52.01
CSCC[C@H](NC(=O)C12CC3CC(CC(C)(C3)C1)C2)C1=N[N-]N=N1	REAL300020167798	0	50	-1.0	-47.37	382.51	6.50	-40.87
CSCC[C@H](NC(=O)C12CC3CC(CC(C)(C3)C1)C2)C1=NN=N[N-]1	REAL300020167798	1	50	-1.0	-47.38	382.56	6.51	-40.87
CSCC[C@H](NC(=O)C1(C2CCCCC2)CC1)C1=N[N-]N=N1	REAL300020167799	0	46	-1.0	-46.78	367.10	6.40	-40.38
CSCC[C@H](NC(=O)C1(C2CCCCC2)CC1)C1=NN=N[N-]1	REAL300020167799	1	46	-1.0	-46.77	367.16	6.42	-40.35
CSCC[C@H](NC(=O)C1(C2=CC=C3OCCOC3=C2)CC1)C1=N[N-]N=N1	REAL300020167800	0	46	-1.0	-56.05	395.23	5.02	-51.03
CSCC[C@H](NC(=O)C1(C2=CC=C3OCCOC3=C2)CC1)C1=NN=N[N-]1	REAL300020167800	1	46	-1.0	-56.10	395.28	5.04	-51.06
COC1=CC=CC(C(F)F)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167801	0	40	-1.0	-57.65	357.28	4.08	-53.57
COC1=CC=CC(C(F)F)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167801	1	40	-1.0	-57.62	357.33	4.10	-53.52
CSCC[C@H](NC(=O)C1=C(C)C=CC(F)=C1Br)C1=N[N-]N=N1	REAL300020167802	0	36	-1.0	-44.17	346.52	5.02	-39.15
CSCC[C@H](NC(=O)C1=C(C)C=CC(F)=C1Br)C1=NN=N[N-]1	REAL300020167802	1	36	-1.0	-44.20	346.57	5.04	-39.16
CSCC[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020167803	0	47	-1.0	-45.67	407.79	5.66	-40.01
CSCC[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020167803	1	47	-1.0	-45.64	407.84	5.68	-39.96
CSCC[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167804	0	50	-1.0	-61.30	411.41	4.44	-56.86
CSCC[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167804	1	50	-1.0	-61.34	411.47	4.45	-56.89
CCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL300020167805	0	46	-1.0	-51.31	397.76	6.27	-45.04
CCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL300020167805	1	46	-1.0	-51.32	397.71	6.25	-45.07
CSCC[C@H](NC(=O)C1(C#N)CC2CCC1CC2)C1=N[N-]N=N1	REAL300020167806	0	44	-1.0	-47.74	357.02	5.14	-42.60
CSCC[C@H](NC(=O)C1(C#N)CC2CCC1CC2)C1=NN=N[N-]1	REAL300020167806	1	44	-1.0	-47.80	357.07	5.15	-42.65
COC1=CC=CC2=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=NN21	REAL300020167807	0	40	-1.0	-53.83	354.38	2.61	-51.22
COC1=CC=CC2=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=NN21	REAL300020167807	1	40	-1.0	-53.85	354.33	2.59	-51.26
COC(=O)C1=CC(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020167808	0	39	-1.0	-42.97	356.56	3.59	-39.38
COC(=O)C1=CC(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020167808	1	39	-1.0	-42.97	356.62	3.61	-39.36
CSCC[C@H](NC(=O)C1CC(C2=CC=C(C)C=C2)=NO1)C1=N[N-]N=N1	REAL300020167809	0	44	-1.0	-50.57	387.01	6.08	-44.49
CSCC[C@H](NC(=O)C1CC(C2=CC=C(C)C=C2)=NO1)C1=NN=N[N-]1	REAL300020167809	1	44	-1.0	-50.56	387.07	6.10	-44.46
CSCC[C@H](NC(=O)C1CC(C2=CC(C)=CC=C2C)=NO1)C1=N[N-]N=N1	REAL300020167810	0	47	-1.0	-54.72	402.17	6.99	-47.73
CSCC[C@H](NC(=O)C1CC(C2=CC(C)=CC=C2C)=NO1)C1=NN=N[N-]1	REAL300020167810	1	47	-1.0	-54.70	402.23	7.01	-47.69
CSCC[C@H](NC(=O)C1=NNC2=C1CC(C)CC2)C1=N[N-]N=N1	REAL300020167811	0	43	-1.0	-49.82	362.48	3.53	-46.29
CSCC[C@H](NC(=O)C1=NNC2=C1CC(C)CC2)C1=NN=N[N-]1	REAL300020167811	1	43	-1.0	-49.83	362.54	3.55	-46.28
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167812	0	41	-1.0	-49.07	343.98	3.08	-45.99
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167812	1	41	-1.0	-49.03	344.03	3.10	-45.93
CSCC[C@H](NC(=O)C1=CC=CN2N=CC(Br)=C12)C1=NN=N[N-]1	REAL300020167813	0	36	-1.0	-47.60	348.23	4.24	-43.36
CSCC[C@H](NC(=O)C1=CC=CN2N=CC(Br)=C12)C1=N[N-]N=N1	REAL300020167813	1	36	-1.0	-47.62	348.17	4.22	-43.40
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167814	0	47	-1.0	-53.18	381.88	5.97	-47.21
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167814	1	47	-1.0	-53.23	381.93	5.99	-47.24
CSCC[C@H](NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)S1)C1=NN=N[N-]1	REAL300020167815	0	40	-1.0	-50.21	391.01	5.41	-44.80
CSCC[C@H](NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)S1)C1=N[N-]N=N1	REAL300020167815	1	40	-1.0	-50.20	390.95	5.39	-44.81
CCC1=NC(C)=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020167816	0	46	-1.0	-49.93	390.11	4.34	-45.59
CCC1=NC(C)=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020167816	1	46	-1.0	-49.97	390.17	4.36	-45.61
CSCC[C@H](NC(=O)CC(F)(F)C(F)F)C1=N[N-]N=N1	REAL300020167817	0	32	-1.0	-53.19	306.33	2.98	-50.21
CSCC[C@H](NC(=O)CC(F)(F)C(F)F)C1=NN=N[N-]1	REAL300020167817	1	32	-1.0	-53.22	306.39	3.00	-50.22
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1=N[N-]N=N1	REAL300020167818	0	40	-1.0	-56.34	342.57	0.28	-56.06
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1=NN=N[N-]1	REAL300020167818	1	40	-1.0	-56.38	342.62	0.30	-56.08
CSCC[C@H](NC(=O)C1=NSC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020167819	0	35	-1.0	-47.41	328.30	4.10	-43.31
CSCC[C@H](NC(=O)C1=NSC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020167819	1	35	-1.0	-47.39	328.24	4.08	-43.31
CSCC[C@H](NC(=O)C1CCCN(C(C)(C)C)C1=O)C1=N[N-]N=N1	REAL300020167820	0	49	-1.0	-53.52	387.87	4.52	-49.00
CSCC[C@H](NC(=O)C1CCCN(C(C)(C)C)C1=O)C1=NN=N[N-]1	REAL300020167820	1	49	-1.0	-53.48	387.92	4.53	-48.95
CSCC[C@H](NC(=O)C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167821	0	43	-1.0	-47.95	370.50	6.89	-41.06
CSCC[C@H](NC(=O)C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167821	1	43	-1.0	-47.97	370.56	6.91	-41.06
CSCC[C@H](NC(=O)C1=CN=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL300020167822	0	37	-1.0	-51.71	333.18	2.67	-49.04
CSCC[C@H](NC(=O)C1=CN=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL300020167822	1	37	-1.0	-51.72	333.24	2.68	-49.04
CSCC[C@H](NC(=O)CCCC1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL300020167823	0	49	-1.0	-47.73	414.28	8.46	-39.27
CSCC[C@H](NC(=O)CCCC1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL300020167823	1	49	-1.0	-47.66	414.34	8.47	-39.19
CSCC[C@H](NC(=O)C1=CC2=C(CCOC2)NC1=O)C1=N[N-]N=N1	REAL300020167824	0	41	-1.0	-54.61	353.48	1.30	-53.31
CSCC[C@H](NC(=O)C1=CC2=C(CCOC2)NC1=O)C1=NN=N[N-]1	REAL300020167824	1	41	-1.0	-54.64	353.54	1.32	-53.32
COC1=CC(OC)=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020167825	0	39	-1.0	-45.06	355.06	-1.39	-46.45
COC1=CC(OC)=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020167825	1	39	-1.0	-45.04	355.00	-1.40	-46.44
CSCC[C@H](NC(=O)C1(C)CCCS1(=O)=O)C1=N[N-]N=N1	REAL300020167826	0	39	-1.0	-53.80	340.79	0.87	-52.93
CSCC[C@H](NC(=O)C1(C)CCCS1(=O)=O)C1=NN=N[N-]1	REAL300020167826	1	39	-1.0	-53.77	340.85	0.89	-52.88
CSCC[C@H](NC(=O)C1=NOC(CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020167827	0	42	-1.0	-46.36	379.57	5.98	-40.38
CSCC[C@H](NC(=O)C1=NOC(CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020167827	1	42	-1.0	-46.39	379.62	5.99	-40.40
COC1=CC2=NC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2C=C1	REAL300020167828	0	42	-1.0	-47.46	368.32	3.79	-43.67
COC1=CC2=NC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2C=C1	REAL300020167828	1	42	-1.0	-47.49	368.27	3.78	-43.71
CSCC[C@H](NC(=O)C1=C(C#N)SC=C1)C1=N[N-]N=N1	REAL300020167829	0	31	-1.0	-52.99	307.15	3.44	-49.55
CSCC[C@H](NC(=O)C1=C(C#N)SC=C1)C1=NN=N[N-]1	REAL300020167829	1	31	-1.0	-52.98	307.20	3.45	-49.53
CSCC[C@H](NC(=O)C1=NN2CCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300020167830	0	39	-1.0	-53.19	347.95	2.58	-50.61
CSCC[C@H](NC(=O)C1=NN2CCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300020167830	1	39	-1.0	-53.20	348.01	2.59	-50.61
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)C(C)=C1)C1=N[N-]N=N1	REAL300020167831	0	41	-1.0	-49.07	354.13	5.17	-43.90
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)C(C)=C1)C1=NN=N[N-]1	REAL300020167831	1	41	-1.0	-49.05	354.19	5.18	-43.87
CSCC[C@H](NC(=O)C1CC(C2=CC=CC=N2)=NO1)C1=NN=N[N-]1	REAL300020167832	0	40	-1.0	-53.90	361.62	3.74	-50.16
CSCC[C@H](NC(=O)C1CC(C2=CC=CC=N2)=NO1)C1=N[N-]N=N1	REAL300020167832	1	40	-1.0	-53.88	361.56	3.72	-50.16
CSCC[C@H](NC(=O)CC1=C(Br)C=C(C)S1)C1=N[N-]N=N1	REAL300020167833	0	36	-1.0	-46.57	353.72	5.22	-41.35
CSCC[C@H](NC(=O)CC1=C(Br)C=C(C)S1)C1=NN=N[N-]1	REAL300020167833	1	36	-1.0	-46.57	353.77	5.23	-41.34
CCN1N=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C1CC1	REAL300020167834	0	43	-1.0	-50.36	375.26	4.73	-45.63
CCN1N=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C1CC1	REAL300020167834	1	43	-1.0	-50.31	375.31	4.74	-45.57
CSCC[C@H](NC(=O)C1=CC(C2=CNC3=CC=CC=C23)=NN1)C1=N[N-]N=N1	REAL300020167835	0	44	-1.0	-48.15	392.93	4.12	-44.03
CSCC[C@H](NC(=O)C1=CC(C2=CNC3=CC=CC=C23)=NN1)C1=NN=N[N-]1	REAL300020167835	1	44	-1.0	-48.15	392.99	4.14	-44.01
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167836	0	45	-1.0	-55.89	367.15	5.40	-50.49
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167836	1	45	-1.0	-55.90	367.19	5.41	-50.49
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCOCC1)C1=N[N-]N=N1	REAL300020167837	0	52	-1.0	-46.97	414.26	4.58	-42.39
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCOCC1)C1=NN=N[N-]1	REAL300020167837	1	52	-1.0	-46.98	414.32	4.60	-42.38
CSCC[C@H](NC(=O)C1=CC=CC(NCC2=CN=CS2)=C1)C1=NN=N[N-]1	REAL300020167838	0	44	-1.0	-50.09	398.73	3.95	-46.14
CSCC[C@H](NC(=O)C1=CC=CC(NCC2=CN=CS2)=C1)C1=N[N-]N=N1	REAL300020167838	1	44	-1.0	-50.07	398.68	3.94	-46.13
CCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Br	REAL300020167839	0	39	-1.0	-44.07	356.49	5.96	-38.11
CCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Br	REAL300020167839	1	39	-1.0	-44.11	356.55	5.97	-38.14
CSCC[C@H](NC(=O)C(=O)NC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020167840	0	40	-1.0	-42.69	374.03	3.35	-39.34
CSCC[C@H](NC(=O)C(=O)NC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020167840	1	40	-1.0	-42.74	374.09	3.37	-39.37
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020167841	0	42	-1.0	-52.64	383.88	5.83	-46.81
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020167841	1	42	-1.0	-52.62	383.83	5.81	-46.81
COC1=CC=CC(C(F)(F)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167842	0	40	-1.0	-45.57	361.32	4.17	-41.40
COC1=CC=CC(C(F)(F)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167842	1	40	-1.0	-45.56	361.27	4.16	-41.40
CSCC[C@H](NC(=O)C1=CC=CN(CC(F)(F)F)C1=O)C1=N[N-]N=N1	REAL300020167843	0	39	-1.0	-59.73	358.44	4.45	-55.28
CSCC[C@H](NC(=O)C1=CC=CN(CC(F)(F)F)C1=O)C1=NN=N[N-]1	REAL300020167843	1	39	-1.0	-59.76	358.50	4.47	-55.29
CSCC[C@H](NC(=O)CC1=C(C)C=C(C#N)C=C1C)C1=N[N-]N=N1	REAL300020167844	0	43	-1.0	-47.00	377.01	6.17	-40.83
CSCC[C@H](NC(=O)CC1=C(C)C=C(C#N)C=C1C)C1=NN=N[N-]1	REAL300020167844	1	43	-1.0	-47.03	377.07	6.18	-40.85
CSCC[C@H](NC(=O)CCN1SC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020167845	0	42	-1.0	-49.40	386.17	5.16	-44.24
CSCC[C@H](NC(=O)CCN1SC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020167845	1	42	-1.0	-49.42	386.22	5.18	-44.24
CSCC[C@H](NC(=O)C1=C(S(N)(=O)=O)SC=C1)C1=N[N-]N=N1	REAL300020167846	0	35	-1.0	-62.04	338.30	-0.63	-62.67
CSCC[C@H](NC(=O)C1=C(S(N)(=O)=O)SC=C1)C1=NN=N[N-]1	REAL300020167846	1	35	-1.0	-61.99	338.35	-0.61	-62.60
CSCC[C@H](NC(=O)CCC1=CC=C([N+](=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL300020167847	0	41	-1.0	-47.75	384.35	6.60	-41.15
CSCC[C@H](NC(=O)CCC1=CC=C([N+](=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL300020167847	1	41	-1.0	-47.77	384.41	6.62	-41.15
CSCC[C@H](NC(=O)C1=C2NN=C(C)C2=CC=C1)C1=N[N-]N=N1	REAL300020167848	0	39	-1.0	-52.00	343.93	3.48	-48.52
CSCC[C@H](NC(=O)C1=C2NN=C(C)C2=CC=C1)C1=NN=N[N-]1	REAL300020167848	1	39	-1.0	-51.97	343.98	3.49	-48.48
CSCC[C@H](NC(=O)C1=CC=C(OC2=NC=CC=C2C)C=C1)C1=NN=N[N-]1	REAL300020167849	0	46	-1.0	-49.30	404.15	5.19	-44.11
CSCC[C@H](NC(=O)C1=CC=C(OC2=NC=CC=C2C)C=C1)C1=N[N-]N=N1	REAL300020167849	1	46	-1.0	-49.31	404.09	5.17	-44.14
CSCC[C@H](NC(=O)C1CC2=CC(F)=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020167850	0	41	-1.0	-44.77	364.23	3.09	-41.68
CSCC[C@H](NC(=O)C1CC2=CC(F)=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020167850	1	41	-1.0	-44.75	364.28	3.11	-41.64
CSCC[C@H](NC(=O)C1CCOC2(CCCC2)C1)C1=N[N-]N=N1	REAL300020167851	0	47	-1.0	-47.30	373.12	4.32	-42.98
CSCC[C@H](NC(=O)C1CCOC2(CCCC2)C1)C1=NN=N[N-]1	REAL300020167851	1	47	-1.0	-47.28	373.17	4.34	-42.94
CCS(=O)(=O)C1=CC=CC=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167852	0	45	-1.0	-64.71	391.90	3.21	-61.50
CCS(=O)(=O)C1=CC=CC=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167852	1	45	-1.0	-64.72	391.96	3.23	-61.49
CSCC[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL300020167853	0	46	0.0	-52.10	368.43	1.90	-50.20
CSCC[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL300020167853	1	46	0.0	-50.99	367.88	1.81	-49.18
CSCC[C@H](NC(=O)CN(C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL300020167853	1	45	-1.0	-46.39	366.78	-0.27	-46.66
CSCC[C@H](NC(=O)C1=CC=C(CN2CCN(C)CC2)S1)C1=N[N-]N=N1	REAL300020167854	0	50	-1.0	-46.47	424.59	2.23	-44.24
CSCC[C@H](NC(=O)C1=CC=C(CN2CCN(C)CC2)S1)C1=NN=N[N-]1	REAL300020167854	1	50	-1.0	-46.46	424.64	2.24	-44.22
CSCC[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)S1)C1=N[N-]N=N1	REAL300020167854	1	51	0.0	-69.41	427.53	4.60	-64.81
COC1=NSC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1Br	REAL300020167855	0	33	-1.0	-41.77	335.66	0.61	-41.16
COC1=NSC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1Br	REAL300020167855	1	33	-1.0	-41.78	335.60	0.60	-41.18
CSCC[C@H](NC(=O)C1=CC=C2NC(C(C)(C)CO)=NC2=C1)C1=N[N-]N=N1	REAL300020167856	0	49	-1.0	-52.94	414.77	2.16	-50.78
CSCC[C@H](NC(=O)C1=CC=C2NC(C(C)(C)CO)=NC2=C1)C1=NN=N[N-]1	REAL300020167856	1	49	-1.0	-52.95	414.82	2.18	-50.77
CSCC[C@H](NC(=O)CC1=NN=C(C2CC2)N1)C1=N[N-]N=N1	REAL300020167857	0	39	-1.0	-55.21	347.78	3.53	-51.68
CSCC[C@H](NC(=O)CC1=NN=C(C2CC2)N1)C1=NN=N[N-]1	REAL300020167857	1	39	-1.0	-55.23	347.83	3.55	-51.68
CSCC[C@H](NC(=O)CN1N=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020167858	0	38	-1.0	-50.97	345.54	2.86	-48.11
CSCC[C@H](NC(=O)CN1N=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020167858	1	38	-1.0	-50.95	345.49	2.84	-48.11
CCN(CC(C)C)C1=NC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020167859	0	52	-1.0	-49.15	440.01	6.22	-42.93
CCN(CC(C)C)C1=NC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020167859	1	52	-1.0	-49.16	440.07	6.24	-42.92
CSCC[C@H](NC(=O)C1=CC=CC(C2=CC=CC(C)=C2)=C1)C1=N[N-]N=N1	REAL300020167860	0	46	-1.0	-49.65	393.11	8.17	-41.48
CSCC[C@H](NC(=O)C1=CC=CC(C2=CC=CC(C)=C2)=C1)C1=NN=N[N-]1	REAL300020167860	1	46	-1.0	-49.62	393.17	8.18	-41.44
CSCC[C@H](NC(=O)C1=NN(C(C)C)C=C1Br)C1=NN=N[N-]1	REAL300020167861	0	39	-1.0	-48.68	362.47	3.86	-44.82
CSCC[C@H](NC(=O)C1=NN(C(C)C)C=C1Br)C1=N[N-]N=N1	REAL300020167861	1	39	-1.0	-48.70	362.41	3.84	-44.86
CSCC[C@H](NC(=O)C1=CC(C)=C(C#N)C(C)=C1)C1=N[N-]N=N1	REAL300020167862	0	40	-1.0	-44.22	356.59	5.48	-38.74
CSCC[C@H](NC(=O)C1=CC(C)=C(C#N)C(C)=C1)C1=NN=N[N-]1	REAL300020167862	1	40	-1.0	-44.26	356.65	5.49	-38.77
CCCCCC(=O)NCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167863	0	45	-1.0	-43.90	385.61	2.61	-41.29
CCCCCC(=O)NCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167863	1	45	-1.0	-43.90	385.67	2.62	-41.28
CSCC[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020167864	0	56	-1.0	-51.32	451.40	4.27	-47.05
CSCC[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020167864	1	56	-1.0	-51.28	451.46	4.29	-46.99
CCNC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020167865	0	40	-1.0	-46.19	360.74	2.72	-43.47
CCNC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020167865	1	40	-1.0	-46.20	360.80	2.74	-43.46
CSCC[C@H](NC(=O)C1=C(C)N=C(NC2CC2)S1)C1=N[N-]N=N1	REAL300020167866	0	41	-1.0	-46.01	370.95	3.65	-42.36
CSCC[C@H](NC(=O)C1=C(C)N=C(NC2CC2)S1)C1=NN=N[N-]1	REAL300020167866	1	41	-1.0	-45.96	371.01	3.67	-42.29
C=CCNC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020167867	0	38	-1.0	-46.24	356.54	2.67	-43.57
C=CCNC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020167867	1	38	-1.0	-46.22	356.48	2.66	-43.56
COC1=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NC2=CC=C1	REAL300020167868	0	41	-1.0	-49.10	360.87	3.33	-45.77
COC1=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NC2=CC=C1	REAL300020167868	1	41	-1.0	-49.07	360.93	3.35	-45.72
CSCC[C@H](NC(=O)C1=C(C)C=C(C)N=C1C)C1=N[N-]N=N1	REAL300020167869	0	41	-1.0	-45.49	357.17	3.81	-41.68
CSCC[C@H](NC(=O)C1=C(C)C=C(C)N=C1C)C1=NN=N[N-]1	REAL300020167869	1	41	-1.0	-45.51	357.22	3.82	-41.69
CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167870	0	55	-1.0	-45.81	435.28	4.26	-41.55
CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167870	1	55	-1.0	-45.79	435.34	4.28	-41.51
CSCC[C@H](NC(=O)C1CC(C2=CC=CC=C2C)=NO1)C1=N[N-]N=N1	REAL300020167871	0	44	-1.0	-53.80	380.97	6.27	-47.53
CSCC[C@H](NC(=O)C1CC(C2=CC=CC=C2C)=NO1)C1=NN=N[N-]1	REAL300020167871	1	44	-1.0	-53.79	381.03	6.28	-47.51
CSCC[C@H](NC(=O)CC1=C(C)C=C(C)NC1=O)C1=N[N-]N=N1	REAL300020167872	0	42	-1.0	-52.73	364.71	2.80	-49.93
CSCC[C@H](NC(=O)CC1=C(C)C=C(C)NC1=O)C1=NN=N[N-]1	REAL300020167872	1	42	-1.0	-52.77	364.77	2.81	-49.96
CNC(=O)NC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167873	0	42	-1.0	-60.51	368.49	1.64	-58.87
CNC(=O)NC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167873	1	42	-1.0	-60.51	368.55	1.66	-58.85
CSCC[C@H](NC(=O)[C@@H](C(C)C)N1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020167874	0	50	-1.0	-59.67	413.34	8.24	-51.43
CSCC[C@H](NC(=O)[C@@H](C(C)C)N1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020167874	1	50	-1.0	-59.66	413.39	8.25	-51.41
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1N)C1=N[N-]N=N1	REAL300020167875	0	37	-1.0	-39.71	358.98	3.77	-35.94
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1N)C1=NN=N[N-]1	REAL300020167875	1	37	-1.0	-39.68	359.04	3.79	-35.89
CSCC[C@H](NC(=O)C(C)(C)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167876	0	44	-1.0	-43.70	362.72	4.16	-39.54
CSCC[C@H](NC(=O)C(C)(C)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167876	1	44	-1.0	-43.69	362.78	4.18	-39.51
CSCC[C@H](NC(=O)CC1(O)CCOCC1)C1=N[N-]N=N1	REAL300020167877	0	41	-1.0	-49.33	340.54	0.58	-48.75
CSCC[C@H](NC(=O)CC1(O)CCOCC1)C1=NN=N[N-]1	REAL300020167877	1	41	-1.0	-49.33	340.60	0.60	-48.73
CSCC[C@H](NC(=O)C1=CC=C2NC=CC2=N1)C1=N[N-]N=N1	REAL300020167878	0	36	-1.0	-51.89	326.07	2.36	-49.53
CSCC[C@H](NC(=O)C1=CC=C2NC=CC2=N1)C1=NN=N[N-]1	REAL300020167878	1	36	-1.0	-51.87	326.13	2.38	-49.49
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1CCCC1)C1=N[N-]N=N1	REAL300020167879	0	46	-1.0	-50.23	385.22	5.01	-45.22
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1CCCC1)C1=NN=N[N-]1	REAL300020167879	1	46	-1.0	-50.18	385.28	5.02	-45.16
CSCC[C@H](NC(=O)C1(CCCOCC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020167880	0	53	-1.0	-49.80	451.87	7.59	-42.21
CSCC[C@H](NC(=O)C1(CCCOCC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020167880	1	53	-1.0	-49.79	451.92	7.61	-42.18
CSCC[C@H](NC(=O)C=CC1=CN(C)C=N1)C1=N[N-]N=N1	REAL300020167881	0	37	-1.0	-51.74	336.60	4.74	-47.00
CSCC[C@H](NC(=O)C=CC1=CN(C)C=N1)C1=NN=N[N-]1	REAL300020167881	1	37	-1.0	-51.74	336.65	4.75	-46.99
CSCC[C@H](NC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020167882	0	54	-1.0	-47.61	431.39	5.72	-41.89
CSCC[C@H](NC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020167882	1	54	-1.0	-47.58	431.44	5.73	-41.85
CSCC[C@H](NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167883	0	54	-1.0	-46.43	431.49	5.42	-41.01
CSCC[C@H](NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167883	1	54	-1.0	-46.41	431.55	5.44	-40.97
CSCC[C@H](NC(=O)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167884	0	54	-1.0	-49.33	425.50	5.44	-43.89
CSCC[C@H](NC(=O)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167884	1	54	-1.0	-49.36	425.55	5.46	-43.90
CCOC(=O)N1CSCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167885	0	42	-1.0	-55.65	375.03	3.78	-51.87
CCOC(=O)N1CSCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167885	1	42	-1.0	-55.69	375.08	3.80	-51.89
CSCC[C@H](NC(=O)C1=C(NC(=O)OC(C)(C)C)C=NN1C)C1=N[N-]N=N1	REAL300020167886	0	50	-1.0	-42.72	424.60	1.91	-40.81
CSCC[C@H](NC(=O)C1=C(NC(=O)OC(C)(C)C)C=NN1C)C1=NN=N[N-]1	REAL300020167886	1	50	-1.0	-42.68	424.65	1.92	-40.76
CSCC[C@H](NC(=O)CCC(=O)C1CCC(C)CC1)C1=N[N-]N=N1	REAL300020167887	0	50	-1.0	-43.80	402.74	6.30	-37.50
CSCC[C@H](NC(=O)CCC(=O)C1CCC(C)CC1)C1=NN=N[N-]1	REAL300020167887	1	50	-1.0	-43.80	402.79	6.32	-37.48
CSCC[C@H](NC(=O)C1=CC=C(N2CCCCCC2)C=C1)C1=N[N-]N=N1	REAL300020167888	0	51	-1.0	-46.27	401.62	5.73	-40.54
CSCC[C@H](NC(=O)C1=CC=C(N2CCCCCC2)C=C1)C1=NN=N[N-]1	REAL300020167888	1	51	-1.0	-46.28	401.68	5.74	-40.54
CSCC[C@H](NC(=O)C(C)SC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020167889	0	40	-1.0	-44.95	370.84	6.01	-38.94
CSCC[C@H](NC(=O)C(C)SC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020167889	1	40	-1.0	-44.94	370.90	6.03	-38.91
CSCC[C@H](NC(=O)C1=C(C(F)F)SC=C1)C1=N[N-]N=N1	REAL300020167890	0	33	-1.0	-45.67	316.64	4.04	-41.63
CSCC[C@H](NC(=O)C1=C(C(F)F)SC=C1)C1=NN=N[N-]1	REAL300020167890	1	33	-1.0	-45.67	316.70	4.05	-41.62
CSCC[C@H](NC(=O)C[C@@H]1C[C@H]1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167891	0	46	-1.0	-46.29	395.77	7.78	-38.51
CSCC[C@H](NC(=O)C[C@@H]1C[C@H]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167891	1	46	-1.0	-46.29	395.83	7.80	-38.49
CSCC[C@H](NC(=O)C1=CC=C(CN2C=CN=N2)O1)C1=NN=N[N-]1	REAL300020167892	0	39	-1.0	-54.41	359.96	2.73	-51.68
CSCC[C@H](NC(=O)C1=CC=C(CN2C=CN=N2)O1)C1=N[N-]N=N1	REAL300020167892	1	39	-1.0	-54.41	359.90	2.72	-51.69
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL300020167893	0	39	-1.0	-50.87	355.67	4.58	-46.29
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL300020167893	1	39	-1.0	-50.87	355.61	4.56	-46.31
CSCC[C@H](NC(=O)CC1=CC=C(C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020167894	0	39	-1.0	-45.52	357.63	5.86	-39.66
CSCC[C@H](NC(=O)CC1=CC=C(C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020167894	1	39	-1.0	-45.53	357.68	5.87	-39.66
CSCC[C@H](NC(=O)CC1=CC=C(O)C(O)=C1)C1=N[N-]N=N1	REAL300020167895	0	38	-1.0	-52.73	343.94	-0.17	-52.90
CSCC[C@H](NC(=O)CC1=CC=C(O)C(O)=C1)C1=NN=N[N-]1	REAL300020167895	1	38	-1.0	-52.76	343.99	-0.15	-52.91
CSCC[C@H](NC(=O)C1CCC[N@@H+]1CC(C)C)C1=NN=N[N-]1	REAL300020167896	0	48	0.0	-53.27	382.05	5.66	-47.61
CSCC[C@H](NC(=O)C1CCC[N@H+]1CC(C)C)C1=NN=N[N-]1	REAL300020167896	1	48	0.0	-54.00	382.68	5.68	-48.32
CSCC[C@H](NC(=O)CN1CCC(CO)CC1)C1=N[N-]N=N1	REAL300020167897	0	45	-1.0	-48.04	369.21	-0.51	-48.55
CSCC[C@H](NC(=O)CN1CCC(CO)CC1)C1=NN=N[N-]1	REAL300020167897	1	45	-1.0	-48.07	369.27	-0.50	-48.57
CSCC[C@H](NC(=O)C[NH+]1CCC(CO)CC1)C1=NN=N[N-]1	REAL300020167897	1	46	0.0	-56.31	371.58	1.70	-54.61
CSCC[C@H](NC(=O)CC1=CC=C(Cl)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020167898	0	38	-1.0	-46.78	362.83	5.81	-40.97
CSCC[C@H](NC(=O)CC1=CC=C(Cl)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020167898	1	38	-1.0	-46.81	362.89	5.83	-40.98
CSCC[C@H](NC(=O)C1=NN(C)C(C=O)=C1)C1=NN=N[N-]1	REAL300020167899	0	35	-1.0	-54.77	325.86	1.43	-53.34
CSCC[C@H](NC(=O)C1=NN(C)C(C=O)=C1)C1=N[N-]N=N1	REAL300020167899	1	35	-1.0	-54.78	325.80	1.41	-53.37
CSCC[C@H](NC(=O)C1=CS(=O)(=O)CCC1)C1=N[N-]N=N1	REAL300020167900	0	37	-1.0	-58.00	331.55	0.31	-57.69
CSCC[C@H](NC(=O)C1=CS(=O)(=O)CCC1)C1=NN=N[N-]1	REAL300020167900	1	37	-1.0	-58.00	331.61	0.32	-57.68
CSCC[C@H](NC(=O)C1CCC2(CC1)N=N2)C1=N[N-]N=N1	REAL300020167901	0	39	-1.0	-47.62	336.15	-1.08	-48.70
CSCC[C@H](NC(=O)C1CCC2(CC1)N=N2)C1=NN=N[N-]1	REAL300020167901	1	39	-1.0	-47.58	336.21	-1.07	-48.65
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1O)C1=N[N-]N=N1	REAL300020167902	0	43	-1.0	-51.79	389.71	4.16	-47.63
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1O)C1=NN=N[N-]1	REAL300020167902	1	43	-1.0	-51.79	389.76	4.17	-47.62
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=N[N-]N=N1	REAL300020167902	1	42	-2.0	-109.59	386.14	5.16	-104.43
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=NN=N[N-]1	REAL300020167902	1	42	-2.0	-109.58	386.20	5.18	-104.40
CSCC[C@H](NC(=O)C1=CC=NC(Cl)=C1Br)C1=NN=N[N-]1	REAL300020167903	0	32	-1.0	-45.29	324.23	3.32	-41.97
CSCC[C@H](NC(=O)C1=CC=NC(Cl)=C1Br)C1=N[N-]N=N1	REAL300020167903	1	32	-1.0	-45.31	324.17	3.30	-42.01
CSCC[C@H](NC(=O)C1C[N@@H+]2CCN1CC2C)C1=NN=N[N-]1	REAL300020167904	0	45	0.0	-69.81	349.16	1.41	-68.40
CSCC[C@H](NC(=O)C1C[N@H+]2CCN1CC2C)C1=NN=N[N-]1	REAL300020167904	1	45	0.0	-68.39	350.56	1.49	-66.90
CSCC[C@H](NC(=O)C1C[N@@H+]2CCN1CC2C)C1=N[N-]N=N1	REAL300020167904	1	45	0.0	-69.75	349.10	1.40	-68.35
CSCC[C@H](NC(=O)C1C[N@H+]2CCN1CC2C)C1=N[N-]N=N1	REAL300020167904	1	45	0.0	-68.39	350.50	1.48	-66.91
CSCC[C@H](NC(=O)C1CN2CCN1CC2C)C1=N[N-]N=N1	REAL300020167904	1	44	-1.0	-45.47	347.69	-0.90	-46.37
CSCC[C@H](NC(=O)C1CN2CCN1CC2C)C1=NN=N[N-]1	REAL300020167904	1	44	-1.0	-45.58	347.74	-0.88	-46.46
CSCC[C@H](NC(=O)C1=NN2CCCC(O)C2=C1)C1=N[N-]N=N1	REAL300020167905	0	41	-1.0	-50.99	355.43	0.17	-50.82
CSCC[C@H](NC(=O)C1=NN2CCCC(O)C2=C1)C1=NN=N[N-]1	REAL300020167905	1	41	-1.0	-50.96	355.49	0.19	-50.77
CSCC[C@H](NC(=O)C1=C2N=CNC2=CC=C1F)C1=N[N-]N=N1	REAL300020167906	0	36	-1.0	-60.28	333.64	3.64	-56.64
CSCC[C@H](NC(=O)C1=C2N=CNC2=CC=C1F)C1=NN=N[N-]1	REAL300020167906	1	36	-1.0	-60.28	333.70	3.65	-56.63
CSCC[C@H](NC(=O)C1=NC=C(C(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL300020167907	0	35	-1.0	-42.63	346.48	3.88	-38.75
CSCC[C@H](NC(=O)C1=NC=C(C(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL300020167907	1	35	-1.0	-42.61	346.43	3.86	-38.75
CSCC[C@H](NC(=O)CCCN1N=C(C)C=C1C)C1=N[N-]N=N1	REAL300020167908	0	45	-1.0	-54.34	387.73	4.59	-49.75
CSCC[C@H](NC(=O)CCCN1N=C(C)C=C1C)C1=NN=N[N-]1	REAL300020167908	1	45	-1.0	-54.35	387.78	4.60	-49.75
CSCC[C@H](NC(=O)C1=NC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020167909	0	37	-1.0	-57.11	334.07	3.18	-53.93
CSCC[C@H](NC(=O)C1=NC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020167909	1	37	-1.0	-57.15	334.01	3.16	-53.99
CSCC[C@H](NC(=O)C1=C(F)C=CC(Br)=C1C)C1=N[N-]N=N1	REAL300020167910	0	36	-1.0	-48.01	345.11	5.03	-42.98
CSCC[C@H](NC(=O)C1=C(F)C=CC(Br)=C1C)C1=NN=N[N-]1	REAL300020167910	1	36	-1.0	-48.01	345.16	5.04	-42.97
CSCC[C@H](NC(=O)CC1(C)CCS(=O)(=O)N1)C1=N[N-]N=N1	REAL300020167911	0	41	-1.0	-53.42	353.26	-1.02	-54.44
CSCC[C@H](NC(=O)CC1(C)CCS(=O)(=O)N1)C1=NN=N[N-]1	REAL300020167911	1	41	-1.0	-53.44	353.32	-1.01	-54.45
CSCC[C@H](NC(=O)C1=CC=NC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300020167912	0	38	-1.0	-44.50	350.48	5.00	-39.50
CSCC[C@H](NC(=O)C1=CC=NC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300020167912	1	38	-1.0	-44.50	350.42	4.98	-39.52
CSCC[C@H](NC(=O)C1=CC=C2OCCNC(=O)C2=C1)C1=N[N-]N=N1	REAL300020167913	0	42	-1.0	-56.93	365.82	1.32	-55.61
CSCC[C@H](NC(=O)C1=CC=C2OCCNC(=O)C2=C1)C1=NN=N[N-]1	REAL300020167913	1	42	-1.0	-56.95	365.88	1.33	-55.62
CSCC[C@H](NC(=O)CC1C(=O)NC2=C(F)C=CC=C21)C1=N[N-]N=N1	REAL300020167914	0	41	-1.0	-60.40	365.83	4.49	-55.91
CSCC[C@H](NC(=O)CC1C(=O)NC2=C(F)C=CC=C21)C1=NN=N[N-]1	REAL300020167914	1	41	-1.0	-60.45	365.89	4.51	-55.94
CSCC[C@H](NC(=O)C1=CN2C=CC=C(C)C2=C1)C1=N[N-]N=N1	REAL300020167915	0	40	-1.0	-51.70	352.55	6.30	-45.40
CSCC[C@H](NC(=O)C1=CN2C=CC=C(C)C2=C1)C1=NN=N[N-]1	REAL300020167915	1	40	-1.0	-51.74	352.60	6.32	-45.42
COC1=CC=CC(CC(C)CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167916	0	49	-1.0	-50.20	407.21	6.05	-44.15
COC1=CC=CC(CC(C)CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167916	1	49	-1.0	-50.21	407.27	6.07	-44.14
CSCC[C@H](NC(=O)C1CCOC(C(C)C)C1)C1=N[N-]N=N1	REAL300020167917	0	46	-1.0	-48.29	366.02	4.02	-44.27
CSCC[C@H](NC(=O)C1CCOC(C(C)C)C1)C1=NN=N[N-]1	REAL300020167917	1	46	-1.0	-48.31	366.08	4.03	-44.28
CSCC[C@H](NC(=O)C1=CC=CC2=C1CCOC2)C1=N[N-]N=N1	REAL300020167918	0	41	-1.0	-47.38	345.65	4.18	-43.20
CSCC[C@H](NC(=O)C1=CC=CC2=C1CCOC2)C1=NN=N[N-]1	REAL300020167918	1	41	-1.0	-47.40	345.70	4.19	-43.21
CSCC[C@H](NC(=O)CC1CCCC(C(F)(F)F)O1)C1=N[N-]N=N1	REAL300020167919	0	43	-1.0	-53.00	368.50	4.54	-48.46
CSCC[C@H](NC(=O)CC1CCCC(C(F)(F)F)O1)C1=NN=N[N-]1	REAL300020167919	1	43	-1.0	-52.97	368.56	4.56	-48.41
CSCC[C@H](NC(=O)CC1CCCC1(F)F)C1=N[N-]N=N1	REAL300020167920	0	39	-1.0	-45.73	336.31	4.51	-41.22
CSCC[C@H](NC(=O)CC1CCCC1(F)F)C1=NN=N[N-]1	REAL300020167920	1	39	-1.0	-45.73	336.37	4.52	-41.21
COC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CS(=O)(=O)C1	REAL300020167921	0	37	-1.0	-47.04	335.25	-1.88	-48.92
COC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CS(=O)(=O)C1	REAL300020167921	1	37	-1.0	-47.02	335.31	-1.87	-48.89
CSCC[C@H](NC(=O)CC1CCC(C2CC2)O1)C1=N[N-]N=N1	REAL300020167922	0	44	-1.0	-52.36	371.01	4.85	-47.51
CSCC[C@H](NC(=O)CC1CCC(C2CC2)O1)C1=NN=N[N-]1	REAL300020167922	1	44	-1.0	-52.43	371.07	4.86	-47.57
CSCC[C@H](NC(=O)[C@H]1CC[C@H](NC2=CN=CC=N2)CC1)C1=NN=N[N-]1	REAL300020167923	0	49	-1.0	-47.64	405.61	3.39	-44.25
CSCC[C@H](NC(=O)[C@H]1CC[C@H](NC2=CN=CC=N2)CC1)C1=N[N-]N=N1	REAL300020167923	1	49	-1.0	-47.61	405.55	3.37	-44.24
COC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020167924	0	39	-1.0	-49.93	347.79	1.75	-48.18
COC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020167924	1	39	-1.0	-49.91	347.85	1.76	-48.15
CSCC[C@H](NC(=O)C1=NN=C(C(C)(C)S(C)(=O)=O)O1)C1=NN=N[N-]1	REAL300020167925	0	43	-1.0	-59.57	390.11	-4.23	-63.80
CSCC[C@H](NC(=O)C1=NN=C(C(C)(C)S(C)(=O)=O)O1)C1=N[N-]N=N1	REAL300020167925	1	43	-1.0	-59.53	390.06	-4.25	-63.78
CSCC[C@H](NC(=O)[C@H]1CC[C@H](NC2=NC=CC=N2)CC1)C1=NN=N[N-]1	REAL300020167926	0	49	-1.0	-50.76	409.11	6.05	-44.71
CSCC[C@H](NC(=O)[C@H]1CC[C@H](NC2=NC=CC=N2)CC1)C1=N[N-]N=N1	REAL300020167926	1	49	-1.0	-50.75	409.06	6.04	-44.71
CSCC[C@H](NC(=O)C1CS(=O)(=O)CC(=O)N1)C1=N[N-]N=N1	REAL300020167927	0	37	-1.0	-54.05	340.73	-3.26	-57.31
CSCC[C@H](NC(=O)C1CS(=O)(=O)CC(=O)N1)C1=NN=N[N-]1	REAL300020167927	1	37	-1.0	-53.98	340.78	-3.24	-57.22
CSCC[C@H](NC(=O)C1CC[C@@H]2C[C@@H]2CC1)C1=N[N-]N=N1	REAL300020167928	0	43	-1.0	-46.16	346.69	5.57	-40.59
CSCC[C@H](NC(=O)C1CC[C@@H]2C[C@@H]2CC1)C1=NN=N[N-]1	REAL300020167928	1	43	-1.0	-46.16	346.75	5.58	-40.58
CSCC[C@H](NC(=O)C1=NC=C(Br)C=N1)C1=NN=N[N-]1	REAL300020167929	0	31	-1.0	-46.06	311.79	2.18	-43.88
CSCC[C@H](NC(=O)C1=NC=C(Br)C=N1)C1=N[N-]N=N1	REAL300020167929	1	31	-1.0	-46.03	311.73	2.17	-43.86
CSCC[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020167930	0	55	0.0	-70.03	451.79	7.25	-62.78
CSCC[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020167930	1	55	0.0	-70.01	451.84	7.27	-62.74
COC(=O)C1=CC=CN(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1=O	REAL300020167931	0	42	-1.0	-53.23	379.26	4.89	-48.34
COC(=O)C1=CC=CN(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1=O	REAL300020167931	1	42	-1.0	-53.19	379.32	4.91	-48.28
CSCC[C@H](NC(=O)C1CCCN(CC(F)(F)F)C1=O)C1=N[N-]N=N1	REAL300020167932	0	43	-1.0	-50.85	373.80	3.95	-46.90
CSCC[C@H](NC(=O)C1CCCN(CC(F)(F)F)C1=O)C1=NN=N[N-]1	REAL300020167932	1	43	-1.0	-50.85	373.86	3.97	-46.88
CSCC[C@H](NC(=O)C1=CC=C2NC=C(C=O)C2=C1)C1=N[N-]N=N1	REAL300020167933	0	39	-1.0	-52.02	352.62	3.89	-48.13
CSCC[C@H](NC(=O)C1=CC=C2NC=C(C=O)C2=C1)C1=NN=N[N-]1	REAL300020167933	1	39	-1.0	-52.06	352.67	3.90	-48.16
COC(=O)C1=CC(F)=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167934	0	39	-1.0	-47.24	358.70	4.82	-42.42
COC(=O)C1=CC(F)=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167934	1	39	-1.0	-47.26	358.76	4.83	-42.43
CSCC[C@H](NC(=O)C1=CC=C(C=O)C=N1)C1=NN=N[N-]1	REAL300020167935	0	34	-1.0	-49.24	318.20	2.11	-47.13
CSCC[C@H](NC(=O)C1=CC=C(C=O)C=N1)C1=N[N-]N=N1	REAL300020167935	1	34	-1.0	-49.24	318.14	2.10	-47.14
CSCC[C@H](NC(=O)C1=CN(C)C(C=O)=C1)C1=N[N-]N=N1	REAL300020167936	0	36	-1.0	-48.51	326.41	3.24	-45.27
CSCC[C@H](NC(=O)C1=CN(C)C(C=O)=C1)C1=NN=N[N-]1	REAL300020167936	1	36	-1.0	-48.49	326.47	3.25	-45.24
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167937	0	37	-2.0	-86.62	372.46	2.28	-84.34
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167937	1	37	-2.0	-86.57	372.52	2.30	-84.27
COC1=C(Cl)C=C(O)C(Cl)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167937	1	38	-1.0	-46.68	376.03	1.53	-45.15
COC1=C(Cl)C=C(O)C(Cl)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167937	1	38	-1.0	-46.65	376.09	1.55	-45.10
CSCC[C@H](NC(=O)CC1=CC=C(N2C=CC=C2C=O)C=C1)C1=N[N-]N=N1	REAL300020167938	0	46	-1.0	-51.20	404.97	7.29	-43.91
CSCC[C@H](NC(=O)CC1=CC=C(N2C=CC=C2C=O)C=C1)C1=NN=N[N-]1	REAL300020167938	1	46	-1.0	-51.22	405.03	7.30	-43.92
C=CC1(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020167939	0	54	-1.0	-50.12	441.26	4.99	-45.13
C=CC1(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020167939	1	54	-1.0	-50.10	441.32	5.00	-45.10
CSCC[C@H](NC(=O)C1CC[NH+](CC(C)C)CC1)C1=N[N-]N=N1	REAL300020167940	0	51	0.0	-63.82	399.09	6.27	-57.55
CSCC[C@H](NC(=O)C1CC[NH+](CC(C)C)CC1)C1=NN=N[N-]1	REAL300020167940	1	51	0.0	-63.84	399.15	6.28	-57.56
CSCC[C@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C1=N[N-]N=N1	REAL300020167941	0	40	-1.0	-53.43	356.55	0.80	-52.63
CSCC[C@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)C1=NN=N[N-]1	REAL300020167941	1	40	-1.0	-53.48	356.61	0.82	-52.66
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=C(Cl)O1)C1=N[N-]N=N1	REAL300020167942	0	35	-1.0	-45.82	354.45	-2.41	-48.23
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=C(Cl)O1)C1=NN=N[N-]1	REAL300020167942	1	35	-1.0	-45.80	354.51	-2.40	-48.20
CSCC[C@H](NC(=O)C1=CN(C(F)(F)CO)N=N1)C1=NN=N[N-]1	REAL300020167943	0	36	-1.0	-46.23	342.20	-1.90	-48.13
CSCC[C@H](NC(=O)C1=CN(C(F)(F)CO)N=N1)C1=N[N-]N=N1	REAL300020167943	1	36	-1.0	-46.27	342.14	-1.91	-48.18
CSCC[C@H](NC(=O)C1=CN=CC(C=O)=C1)C1=NN=N[N-]1	REAL300020167944	0	34	-1.0	-44.67	315.88	2.04	-42.63
CSCC[C@H](NC(=O)C1=CN=CC(C=O)=C1)C1=N[N-]N=N1	REAL300020167944	1	34	-1.0	-44.66	315.83	2.03	-42.63
CSCC[C@H](NC(=O)C1=NC=CN1C(C)C)C1=NN=N[N-]1	REAL300020167945	0	39	-1.0	-47.20	339.60	4.04	-43.16
CSCC[C@H](NC(=O)C1=NC=CN1C(C)C)C1=N[N-]N=N1	REAL300020167945	1	39	-1.0	-47.21	339.54	4.02	-43.19
COC1=NSC(OC)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167946	0	37	-1.0	-51.46	350.69	-0.70	-52.16
COC1=NSC(OC)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167946	1	37	-1.0	-51.48	350.64	-0.72	-52.20
CSCC[C@H](NC(=O)C1=CC(C#N)=CC=C1C)C1=N[N-]N=N1	REAL300020167947	0	37	-1.0	-45.69	334.43	5.15	-40.54
CSCC[C@H](NC(=O)C1=CC(C#N)=CC=C1C)C1=NN=N[N-]1	REAL300020167947	1	37	-1.0	-45.66	334.48	5.16	-40.50
CSCC[C@H](NC(=O)C1(CCC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020167948	0	46	-1.0	-48.80	392.82	7.67	-41.13
CSCC[C@H](NC(=O)C1(CCC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020167948	1	46	-1.0	-48.78	392.88	7.68	-41.10
CSCC[C@H](NC(=O)C1=CC=CC=C1S(=O)C(F)(F)F)C1=N[N-]N=N1	REAL300020167949	0	38	-1.0	-64.18	360.44	4.58	-59.60
CSCC[C@H](NC(=O)C1=CC=CC=C1S(=O)C(F)(F)F)C1=NN=N[N-]1	REAL300020167949	1	38	-1.0	-64.17	360.50	4.60	-59.57
CSCC[C@H](NC(=O)C1(C)CCOC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020167950	0	44	-1.0	-44.06	361.09	4.99	-39.07
CSCC[C@H](NC(=O)C1(C)CCOC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020167950	1	44	-1.0	-44.11	361.14	5.00	-39.11
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCCO1)C1=N[N-]N=N1	REAL300020167951	0	44	-1.0	-45.59	370.72	4.92	-40.67
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCCO1)C1=NN=N[N-]1	REAL300020167951	1	44	-1.0	-45.56	370.77	4.93	-40.63
CSCC[C@H](NC(=O)C1=C2CCCNC2=NN1)C1=N[N-]N=N1	REAL300020167952	0	39	-1.0	-45.25	335.80	1.26	-43.99
CSCC[C@H](NC(=O)C1=C2CCCNC2=NN1)C1=NN=N[N-]1	REAL300020167952	1	39	-1.0	-45.22	335.86	1.27	-43.95
CSCC[C@H](NC(=O)C1=C2C=CC=CC2=NO1)C1=NN=N[N-]1	REAL300020167953	0	35	-1.0	-44.98	322.19	3.74	-41.24
CSCC[C@H](NC(=O)C1=C2C=CC=CC2=NO1)C1=N[N-]N=N1	REAL300020167953	1	35	-1.0	-44.96	322.13	3.73	-41.23
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL300020167954	0	33	-2.0	-101.93	335.55	4.66	-97.27
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL300020167954	1	33	-2.0	-101.91	335.60	4.67	-97.24
CSCC[C@H](NC(=O)C1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL300020167955	0	35	-1.0	-51.30	319.18	1.03	-50.27
CSCC[C@H](NC(=O)C1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL300020167955	1	35	-1.0	-51.24	319.12	1.01	-50.23
CSCC[C@H](NC(=O)C1=C(C)C(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020167956	0	42	-1.0	-49.43	370.22	3.48	-45.95
CSCC[C@H](NC(=O)C1=C(C)C(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020167956	1	42	-1.0	-49.42	370.16	3.47	-45.95
CSCC[C@H](NC(=O)CCC1=CC(C)=NN1)C1=N[N-]N=N1	REAL300020167957	0	39	-1.0	-46.09	345.40	2.49	-43.60
CSCC[C@H](NC(=O)CCC1=CC(C)=NN1)C1=NN=N[N-]1	REAL300020167957	1	39	-1.0	-46.08	345.45	2.51	-43.57
CSCC[C@H](NC(=O)C1=CC2=NNC=C2N=C1)C1=N[N-]N=N1	REAL300020167958	0	35	-1.0	-50.84	317.87	1.05	-49.79
CSCC[C@H](NC(=O)C1=CC2=NNC=C2N=C1)C1=NN=N[N-]1	REAL300020167958	1	35	-1.0	-50.84	317.93	1.07	-49.77
CSCC[C@H](NC(=O)C1=CC=C(CO)N=C1)C1=N[N-]N=N1	REAL300020167959	0	36	-1.0	-46.44	323.28	-0.25	-46.69
CSCC[C@H](NC(=O)C1=CC=C(CO)N=C1)C1=NN=N[N-]1	REAL300020167959	1	36	-1.0	-46.43	323.34	-0.23	-46.66
CSCC[C@H](NC(=O)CC1CCC(C)(O)CC1)C1=N[N-]N=N1	REAL300020167960	0	46	-1.0	-45.30	371.50	2.46	-42.84
CSCC[C@H](NC(=O)CC1CCC(C)(O)CC1)C1=NN=N[N-]1	REAL300020167960	1	46	-1.0	-45.27	371.56	2.47	-42.80
CSCC[C@H](NC(=O)C1=C(Cl)C=CN=C1F)C1=NN=N[N-]1	REAL300020167961	0	32	-1.0	-46.80	318.40	2.56	-44.24
CSCC[C@H](NC(=O)C1=C(Cl)C=CN=C1F)C1=N[N-]N=N1	REAL300020167961	1	32	-1.0	-46.85	318.34	2.54	-44.31
CSCC[C@H](NC(=O)[C@@H](NC(N)=O)C(C)C)C1=N[N-]N=N1	REAL300020167962	0	41	-1.0	-43.25	344.39	-1.32	-44.57
CSCC[C@H](NC(=O)[C@@H](NC(N)=O)C(C)C)C1=NN=N[N-]1	REAL300020167962	1	41	-1.0	-43.29	344.45	-1.31	-44.60
CSCC[C@H](NC(=O)C1=CC(C)=CC(C=O)=C1O)C1=N[N-]N=N1	REAL300020167963	0	39	-1.0	-45.87	349.82	3.07	-42.80
CSCC[C@H](NC(=O)C1=CC(C)=CC(C=O)=C1O)C1=NN=N[N-]1	REAL300020167963	1	39	-1.0	-45.88	349.87	3.09	-42.79
CSCC[C@H](NC(=O)C1=CC(C)=CC(C=O)=C1[O-])C1=N[N-]N=N1	REAL300020167963	1	38	-2.0	-104.52	346.25	4.08	-100.44
CSCC[C@H](NC(=O)C1=CC(C)=CC(C=O)=C1[O-])C1=NN=N[N-]1	REAL300020167963	1	38	-2.0	-104.52	346.31	4.09	-100.43
C=C(CCC(=O)OC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167964	0	39	-1.0	-45.98	349.19	3.85	-42.13
C=C(CCC(=O)OC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167964	1	39	-1.0	-46.00	349.24	3.86	-42.14
COC(=O)C1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CS1	REAL300020167965	0	36	-1.0	-52.77	342.01	4.54	-48.23
COC(=O)C1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CS1	REAL300020167965	1	36	-1.0	-52.74	342.06	4.55	-48.19
CSCC[C@H](NC(=O)CC1=CC=CC2=NSN=C21)C1=N[N-]N=N1	REAL300020167966	0	37	-1.0	-54.60	346.43	3.08	-51.52
CSCC[C@H](NC(=O)CC1=CC=CC2=NSN=C21)C1=NN=N[N-]1	REAL300020167966	1	37	-1.0	-54.55	346.49	3.10	-51.45
COC12CCC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)(CC1)C(=O)C2	REAL300020167967	0	46	-1.0	-45.26	371.63	3.10	-42.16
COC12CCC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)(CC1)C(=O)C2	REAL300020167967	1	46	-1.0	-45.27	371.69	3.11	-42.16
CSCC[C@H](NC(=O)C(C)(O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020167968	0	40	-1.0	-42.65	351.50	2.35	-40.30
CSCC[C@H](NC(=O)C(C)(O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020167968	1	40	-1.0	-42.67	351.56	2.37	-40.30
CSCC[C@H](NC(=O)C1([NH+](C)C)CCCC1)C1=N[N-]N=N1	REAL300020167969	0	45	0.0	-57.91	347.46	4.70	-53.21
CSCC[C@H](NC(=O)C1([NH+](C)C)CCCC1)C1=NN=N[N-]1	REAL300020167969	1	45	0.0	-57.96	347.52	4.71	-53.25
CSCC[C@H](NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C1=N[N-]N=N1	REAL300020167970	0	39	-1.0	-47.55	358.79	-0.66	-48.21
CSCC[C@H](NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C1=NN=N[N-]1	REAL300020167970	1	39	-1.0	-47.56	358.85	-0.65	-48.21
COC1=CC=C2NC=CC2=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167971	0	41	-1.0	-57.78	361.74	3.29	-54.49
COC1=CC=C2NC=CC2=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167971	1	41	-1.0	-57.82	361.69	3.28	-54.54
CSCC[C@H](NC(=O)CC1C=CS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020167972	0	37	-1.0	-55.41	335.84	0.18	-55.23
CSCC[C@H](NC(=O)CC1C=CS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020167972	1	37	-1.0	-55.44	335.90	0.20	-55.24
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)C(C=O)=C1)C1=N[N-]N=N1	REAL300020167973	0	43	-1.0	-51.75	373.79	3.73	-48.02
CSCC[C@H](NC(=O)C1=CC=C(N(C)C)C(C=O)=C1)C1=NN=N[N-]1	REAL300020167973	1	43	-1.0	-51.74	373.85	3.74	-48.00
CSCC[C@H](NC(=O)C1=C2N(CCN(C)S2(=O)=O)N=C1)C1=NN=N[N-]1	REAL300020167974	0	42	-1.0	-62.87	376.87	-0.70	-63.57
CSCC[C@H](NC(=O)C1=C2N(CCN(C)S2(=O)=O)N=C1)C1=N[N-]N=N1	REAL300020167974	1	42	-1.0	-62.82	376.82	-0.72	-63.54
CSCC[C@H](NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=NN=N[N-]1	REAL300020167975	0	49	0.0	-51.92	380.04	6.04	-45.88
CSCC[C@H](NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=NN=N[N-]1	REAL300020167975	1	49	0.0	-49.78	379.82	6.08	-43.70
CSCC[C@H](NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=N[N-]N=N1	REAL300020167975	1	49	0.0	-51.88	379.98	6.02	-45.86
CSCC[C@H](NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=N[N-]N=N1	REAL300020167975	1	49	0.0	-49.78	379.77	6.07	-43.71
CSCC[C@H](NC(=O)C1=CN2C=CNC(=O)C2=N1)C1=N[N-]N=N1	REAL300020167976	0	36	-1.0	-58.12	333.36	1.56	-56.56
CSCC[C@H](NC(=O)C1=CN2C=CNC(=O)C2=N1)C1=NN=N[N-]1	REAL300020167976	1	36	-1.0	-58.12	333.42	1.57	-56.55
CSCC[C@H](NC(=O)C1=CSC2=CN=CN21)C1=N[N-]N=N1	REAL300020167977	0	33	-1.0	-43.05	311.44	4.22	-38.83
CSCC[C@H](NC(=O)C1=CSC2=CN=CN21)C1=NN=N[N-]1	REAL300020167977	1	33	-1.0	-43.08	311.50	4.23	-38.85
CSCC[C@H](NC(=O)CCC1=NC=CN1C)C1=N[N-]N=N1	REAL300020167978	0	39	-1.0	-51.03	344.07	3.90	-47.13
CSCC[C@H](NC(=O)CCC1=NC=CN1C)C1=NN=N[N-]1	REAL300020167978	1	39	-1.0	-51.09	344.13	3.92	-47.17
CSCC[C@H](NC(=O)C1=CN(CCO)N=C1)C1=NN=N[N-]1	REAL300020167979	0	37	-1.0	-47.06	335.57	-0.64	-47.70
CSCC[C@H](NC(=O)C1=CN(CCO)N=C1)C1=N[N-]N=N1	REAL300020167979	1	37	-1.0	-47.03	335.51	-0.65	-47.68
CSCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300020167980	0	49	0.0	-64.51	368.19	5.28	-59.23
CSCC[C@H](NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300020167980	1	49	0.0	-49.16	372.51	6.00	-43.16
CSCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300020167980	1	49	0.0	-64.42	368.13	5.26	-59.16
CSCC[C@H](NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300020167980	1	49	0.0	-49.17	372.45	5.97	-43.20
CSCC[C@H](NC(=O)C1(C2=CC=NC=C2)CC2(CCC2)C1)C1=N[N-]N=N1	REAL300020167981	0	49	-1.0	-46.08	406.68	6.41	-39.67
CSCC[C@H](NC(=O)C1(C2=CC=NC=C2)CC2(CCC2)C1)C1=NN=N[N-]1	REAL300020167981	1	49	-1.0	-46.10	406.74	6.43	-39.67
CCOC(=O)NC1=CC=C(F)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167982	0	44	-1.0	-53.35	391.16	3.32	-50.03
CCOC(=O)NC1=CC=C(F)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167982	1	44	-1.0	-53.38	391.22	3.34	-50.04
CSCC[C@H](NC(=O)C1CCC(=O)N(C2=CN(C)N=C2)C1)C1=NN=N[N-]1	REAL300020167983	0	47	-1.0	-49.39	395.69	3.41	-45.98
CSCC[C@H](NC(=O)C1CCC(=O)N(C2=CN(C)N=C2)C1)C1=N[N-]N=N1	REAL300020167983	1	47	-1.0	-49.38	395.63	3.39	-45.99
CCOC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=C1	REAL300020167984	0	44	-1.0	-47.57	398.98	3.76	-43.81
CCOC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=C1	REAL300020167984	1	44	-1.0	-47.62	399.04	3.78	-43.84
COC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=C1	REAL300020167985	0	41	-1.0	-47.97	377.12	2.83	-45.14
COC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=C1	REAL300020167985	1	41	-1.0	-48.00	377.17	2.85	-45.15
CSCC[C@H](NC(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C1=N[N-]N=N1	REAL300020167986	0	40	-1.0	-47.85	367.26	3.61	-44.24
CSCC[C@H](NC(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C1=NN=N[N-]1	REAL300020167986	1	40	-1.0	-47.84	367.32	3.62	-44.22
CSCC[C@H](NC(=O)CC1CC(=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020167987	0	44	-1.0	-46.43	375.92	3.75	-42.68
CSCC[C@H](NC(=O)CC1CC(=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020167987	1	44	-1.0	-46.41	375.98	3.77	-42.64
COC(=O)NC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020167988	0	41	-1.0	-53.10	369.52	2.41	-50.69
COC(=O)NC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020167988	1	41	-1.0	-53.11	369.58	2.43	-50.68
COC(=O)C1CCCN(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1=O	REAL300020167989	0	46	-1.0	-48.40	395.02	4.36	-44.04
COC(=O)C1CCCN(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1=O	REAL300020167989	1	46	-1.0	-48.40	395.08	4.38	-44.02
CSCC[C@H](NC(=O)C1=CC(C)=C(Br)O1)C1=N[N-]N=N1	REAL300020167990	0	33	-1.0	-42.34	324.26	3.47	-38.87
CSCC[C@H](NC(=O)C1=CC(C)=C(Br)O1)C1=NN=N[N-]1	REAL300020167990	1	33	-1.0	-42.36	324.32	3.49	-38.87
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CN=C1F	REAL300020167991	0	36	-1.0	-48.31	328.53	2.85	-45.46
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CN=C1F	REAL300020167991	1	36	-1.0	-48.28	328.47	2.84	-45.44
COC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020167992	0	44	-1.0	-48.86	380.61	2.98	-45.88
COC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020167992	1	44	-1.0	-48.88	380.66	2.99	-45.89
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC1CC1)C1=N[N-]N=N1	REAL300020167993	0	47	-1.0	-49.59	408.94	5.46	-44.13
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)N2CC1CC1)C1=NN=N[N-]1	REAL300020167993	1	47	-1.0	-49.57	409.00	5.48	-44.09
CSCC[C@H](NC(=O)C1=CC(F)=CC(Br)=C1C)C1=N[N-]N=N1	REAL300020167994	0	36	-1.0	-41.24	337.86	5.35	-35.89
CSCC[C@H](NC(=O)C1=CC(F)=CC(Br)=C1C)C1=NN=N[N-]1	REAL300020167994	1	36	-1.0	-41.23	337.92	5.37	-35.86
CSCC[C@H](NC(=O)C1=CC(C)=CC(Cl)=N1)C1=N[N-]N=N1	REAL300020167995	0	35	-1.0	-45.26	333.12	3.46	-41.80
CSCC[C@H](NC(=O)C1=CC(C)=CC(Cl)=N1)C1=NN=N[N-]1	REAL300020167995	1	35	-1.0	-45.25	333.18	3.47	-41.78
CNC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020167996	0	42	-1.0	-55.78	368.66	1.60	-54.18
CNC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020167996	1	42	-1.0	-55.78	368.72	1.62	-54.16
CCOC(=O)NC1=CC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167997	0	44	-1.0	-50.64	399.12	3.75	-46.89
CCOC(=O)NC1=CC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167997	1	44	-1.0	-50.66	399.18	3.77	-46.89
CSCC[C@H](NC(=O)C1=CN(CC(F)F)N=C1C)C1=N[N-]N=N1	REAL300020167998	0	39	-1.0	-48.25	355.16	3.58	-44.67
CSCC[C@H](NC(=O)C1=CN(CC(F)F)N=C1C)C1=NN=N[N-]1	REAL300020167998	1	39	-1.0	-48.23	355.22	3.59	-44.64
CSCC[C@H](NC(=O)C1=CC=CN(CC(C)C)C1=O)C1=N[N-]N=N1	REAL300020167999	0	45	-1.0	-58.35	377.49	5.41	-52.94
CSCC[C@H](NC(=O)C1=CC=CN(CC(C)C)C1=O)C1=NN=N[N-]1	REAL300020167999	1	45	-1.0	-58.35	377.55	5.42	-52.93
CSCC[C@H](NC(=O)C1=NC(Br)=C2C=CC=CN12)C1=NN=N[N-]1	REAL300020168000	0	36	-1.0	-49.15	346.64	5.12	-44.03
CSCC[C@H](NC(=O)C1=NC(Br)=C2C=CC=CN12)C1=N[N-]N=N1	REAL300020168000	1	36	-1.0	-49.14	346.58	5.11	-44.03
CSCC[C@H](NC(=O)C1=CC=CC=C1C1(C)CC1)C1=N[N-]N=N1	REAL300020168001	0	43	-1.0	-47.10	361.66	6.71	-40.39
CSCC[C@H](NC(=O)C1=CC=CC=C1C1(C)CC1)C1=NN=N[N-]1	REAL300020168001	1	43	-1.0	-47.09	361.72	6.73	-40.36
CCC(C)(C)C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168002	0	48	-1.0	-45.45	374.97	6.84	-38.61
CCC(C)(C)C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168002	1	48	-1.0	-45.47	375.02	6.85	-38.62
CSCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1=N[N-]N=N1	REAL300020168003	0	47	-1.0	-46.25	352.21	5.15	-41.10
CSCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1=NN=N[N-]1	REAL300020168003	1	47	-1.0	-46.24	352.27	5.16	-41.08
CSCC[C@H](NC(=O)C1(C#N)CCSCC1)C1=N[N-]N=N1	REAL300020168004	0	38	-1.0	-38.82	336.59	3.82	-35.00
CSCC[C@H](NC(=O)C1(C#N)CCSCC1)C1=NN=N[N-]1	REAL300020168004	1	38	-1.0	-38.80	336.65	3.84	-34.96
CSCC[C@H](NC(=O)C1=CC=CC=C1CC(C)(C)C)C1=N[N-]N=N1	REAL300020168005	0	48	-1.0	-46.34	381.41	6.90	-39.44
CSCC[C@H](NC(=O)C1=CC=CC=C1CC(C)(C)C)C1=NN=N[N-]1	REAL300020168005	1	48	-1.0	-46.38	381.47	6.92	-39.46
CSCC[C@H](NC(=O)C1(C2=CC=C3OCOC3=C2)CC1)C1=N[N-]N=N1	REAL300020168006	0	43	-1.0	-48.50	374.66	4.44	-44.06
CSCC[C@H](NC(=O)C1(C2=CC=C3OCOC3=C2)CC1)C1=NN=N[N-]1	REAL300020168006	1	43	-1.0	-48.48	374.72	4.46	-44.02
CSCC[C@H](NC(=O)[C@]12C[C@H]1COC21CCC1)C1=N[N-]N=N1	REAL300020168007	0	42	-1.0	-49.54	347.67	3.75	-45.79
CSCC[C@H](NC(=O)[C@]12C[C@H]1COC21CCC1)C1=NN=N[N-]1	REAL300020168007	1	42	-1.0	-49.55	347.72	3.76	-45.79
CSCC[C@H](NC(=O)C1(C)CCC2(CC1)OCCO2)C1=N[N-]N=N1	REAL300020168008	0	48	-1.0	-47.95	381.15	3.59	-44.36
CSCC[C@H](NC(=O)C1(C)CCC2(CC1)OCCO2)C1=NN=N[N-]1	REAL300020168008	1	48	-1.0	-47.95	381.21	3.60	-44.35
CSCC[C@H](NC(=O)C1=C2N[C@H](C)C[C@H](C(F)F)N2N=C1)C1=NN=N[N-]1	REAL300020168009	0	45	-1.0	-52.07	388.35	3.42	-48.65
CSCC[C@H](NC(=O)C1=C2N[C@H](C)C[C@H](C(F)F)N2N=C1)C1=N[N-]N=N1	REAL300020168009	1	45	-1.0	-52.07	388.30	3.41	-48.66
CCC1CCC2=C(C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C(=O)N2)C1	REAL300020168010	0	49	-1.0	-54.28	402.00	4.98	-49.30
CCC1CCC2=C(C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C(=O)N2)C1	REAL300020168010	1	49	-1.0	-54.30	402.06	4.99	-49.31
CCS(=O)(=O)C1=CNC(=O)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168011	0	42	-1.0	-60.17	382.22	-0.31	-60.48
CCS(=O)(=O)C1=CNC(=O)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168011	1	42	-1.0	-60.15	382.28	-0.30	-60.45
CSCC[C@H](NC(=O)C1=CC=C(Br)NC1=O)C1=N[N-]N=N1	REAL300020168012	0	33	-1.0	-51.11	321.10	1.80	-49.31
CSCC[C@H](NC(=O)C1=CC=C(Br)NC1=O)C1=NN=N[N-]1	REAL300020168012	1	33	-1.0	-51.06	321.16	1.81	-49.25
CSCC[C@H](NC(=O)C1=CC=C(C2CC2)NC1=O)C1=N[N-]N=N1	REAL300020168013	0	40	-1.0	-54.26	349.29	3.54	-50.72
CSCC[C@H](NC(=O)C1=CC=C(C2CC2)NC1=O)C1=NN=N[N-]1	REAL300020168013	1	40	-1.0	-54.27	349.34	3.55	-50.72
CSCC[C@H](NC(=O)C1=C(C)OC(C=O)=C1)C1=N[N-]N=N1	REAL300020168014	0	35	-1.0	-48.30	322.62	3.27	-45.03
CSCC[C@H](NC(=O)C1=C(C)OC(C=O)=C1)C1=NN=N[N-]1	REAL300020168014	1	35	-1.0	-48.32	322.68	3.28	-45.04
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C=O)S2)C=C1)C1=N[N-]N=N1	REAL300020168015	0	42	-1.0	-52.99	388.40	6.56	-46.43
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C=O)S2)C=C1)C1=NN=N[N-]1	REAL300020168015	1	42	-1.0	-53.05	388.46	6.57	-46.48
CSCC[C@H](NC(=O)C1=CC2=CNC=CC2=N1)C1=N[N-]N=N1	REAL300020168016	0	36	-1.0	-68.68	327.33	2.37	-66.31
CSCC[C@H](NC(=O)C1=CC2=CNC=CC2=N1)C1=NN=N[N-]1	REAL300020168016	1	36	-1.0	-68.67	327.38	2.38	-66.29
CSCC[C@H](NC(=O)C1=CC2=CC(C(C)(C)C)=CC=C2N1)C1=N[N-]N=N1	REAL300020168017	0	49	-1.0	-45.59	407.21	6.34	-39.25
CSCC[C@H](NC(=O)C1=CC2=CC(C(C)(C)C)=CC=C2N1)C1=NN=N[N-]1	REAL300020168017	1	49	-1.0	-45.62	407.27	6.35	-39.27
CSCC[C@H](NC(=O)CC1=CNC2=CN=C(Cl)C=C12)C1=N[N-]N=N1	REAL300020168018	0	39	-1.0	-55.81	365.65	3.48	-52.33
CSCC[C@H](NC(=O)CC1=CNC2=CN=C(Cl)C=C12)C1=NN=N[N-]1	REAL300020168018	1	39	-1.0	-55.81	365.71	3.49	-52.32
CSCC[C@H](NC(=O)C1=CC2=C(C)C=CC(F)=C2O1)C1=N[N-]N=N1	REAL300020168019	0	39	-1.0	-46.61	356.15	5.18	-41.43
CSCC[C@H](NC(=O)C1=CC2=C(C)C=CC(F)=C2O1)C1=NN=N[N-]1	REAL300020168019	1	39	-1.0	-46.63	356.21	5.20	-41.43
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020168020	0	56	-1.0	-47.84	448.96	4.14	-43.70
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020168020	1	56	-1.0	-47.81	449.02	4.15	-43.66
CSCC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C1=N[N-]N=N1	REAL300020168021	0	56	-1.0	-50.24	440.57	5.45	-44.79
CSCC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C1=NN=N[N-]1	REAL300020168021	1	56	-1.0	-50.29	440.63	5.47	-44.82
CSCC[C@H](NC(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)C1=N[N-]N=N1	REAL300020168022	0	37	-1.0	-51.75	337.64	3.49	-48.26
CSCC[C@H](NC(=O)[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NN=N[N-]1	REAL300020168022	1	37	-1.0	-51.77	337.70	3.51	-48.26
CSCC[C@H](NC(=O)C1=C2C=CC(C)=C(C)N2N=C1)C1=NN=N[N-]1	REAL300020168023	0	42	-1.0	-52.12	364.15	5.01	-47.11
CSCC[C@H](NC(=O)C1=C2C=CC(C)=C(C)N2N=C1)C1=N[N-]N=N1	REAL300020168023	1	42	-1.0	-52.17	364.09	5.00	-47.17
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=NN1C)C1=N[N-]N=N1	REAL300020168024	0	40	-1.0	-46.23	353.60	3.76	-42.47
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=NN1C)C1=NN=N[N-]1	REAL300020168024	1	40	-1.0	-46.23	353.65	3.78	-42.45
CSCC[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1=N[N-]N=N1	REAL300020168025	0	56	-1.0	-53.06	452.24	5.44	-47.62
CSCC[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1=NN=N[N-]1	REAL300020168025	1	56	-1.0	-52.99	452.30	5.45	-47.54
CSCC[C@H](NC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168026	0	56	-1.0	-52.16	442.96	5.26	-46.90
CSCC[C@H](NC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168026	1	56	-1.0	-52.17	443.01	5.27	-46.90
CSCC[C@H](NC(=O)CSCC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020168027	0	52	-1.0	-48.16	442.78	8.45	-39.71
CSCC[C@H](NC(=O)CSCC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020168027	1	52	-1.0	-48.17	442.84	8.47	-39.70
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL300020168028	0	42	-1.0	-49.41	369.42	5.81	-43.60
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL300020168028	1	42	-1.0	-49.38	369.36	5.80	-43.58
CSCC[C@H](NC(=O)C1=CC2=CC=CN2C=N1)C1=NN=N[N-]1	REAL300020168029	0	36	-1.0	-50.74	326.83	5.62	-45.12
CSCC[C@H](NC(=O)C1=CC2=CC=CN2C=N1)C1=N[N-]N=N1	REAL300020168029	1	36	-1.0	-50.71	326.78	5.61	-45.10
CSCC[C@H](NC(=O)C1=CC=C(C)C2=CC=CN=C12)C1=NN=N[N-]1	REAL300020168030	0	41	-1.0	-57.34	354.41	5.44	-51.90
CSCC[C@H](NC(=O)C1=CC=C(C)C2=CC=CN=C12)C1=N[N-]N=N1	REAL300020168030	1	41	-1.0	-57.35	354.35	5.43	-51.92
CSCC[C@H](NC(=O)C1=C2C=COC2=C(F)C=C1)C1=N[N-]N=N1	REAL300020168031	0	36	-1.0	-47.92	329.06	4.47	-43.45
CSCC[C@H](NC(=O)C1=C2C=COC2=C(F)C=C1)C1=NN=N[N-]1	REAL300020168031	1	36	-1.0	-47.94	329.12	4.48	-43.46
C=CC1(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCCC1	REAL300020168032	0	46	-1.0	-44.34	358.56	5.54	-38.80
C=CC1(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCCC1	REAL300020168032	1	46	-1.0	-44.40	358.61	5.56	-38.84
CSCC[C@H](NC(=O)C1=C2C=COC2=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020168033	0	36	-1.0	-47.52	339.39	4.92	-42.60
CSCC[C@H](NC(=O)C1=C2C=COC2=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020168033	1	36	-1.0	-47.54	339.45	4.93	-42.61
CSCC[C@H](NC(=O)C12CCC(CC1)N2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168034	0	54	-1.0	-56.55	427.51	6.09	-50.46
CSCC[C@H](NC(=O)C12CCC(CC1)N2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168034	1	54	-1.0	-56.56	427.57	6.09	-50.47
CCOC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168035	0	39	-1.0	-43.78	350.18	4.16	-39.62
CCOC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168035	1	39	-1.0	-43.78	350.24	4.17	-39.61
CSCC[C@H](NC(=O)C1=CC(Cl)=NC=C1F)C1=NN=N[N-]1	REAL300020168036	0	32	-1.0	-44.02	314.28	2.85	-41.17
CSCC[C@H](NC(=O)C1=CC(Cl)=NC=C1F)C1=N[N-]N=N1	REAL300020168036	1	32	-1.0	-44.06	314.23	2.84	-41.22
CSCC[C@H](NC(=O)C1=C(F)C=CC2=C1OCO2)C1=N[N-]N=N1	REAL300020168037	0	36	-1.0	-51.75	333.96	2.67	-49.08
CSCC[C@H](NC(=O)C1=C(F)C=CC2=C1OCO2)C1=NN=N[N-]1	REAL300020168037	1	36	-1.0	-51.74	334.02	2.69	-49.05
COC(=O)C1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1C1=CC=CC=C1	REAL300020168038	0	46	-1.0	-43.59	391.95	6.71	-36.88
COC(=O)C1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1C1=CC=CC=C1	REAL300020168038	1	46	-1.0	-43.55	392.00	6.73	-36.82
CSCC[C@H](NC(=O)C1=C2OC=CC2=CC(F)=C1)C1=N[N-]N=N1	REAL300020168039	0	36	-1.0	-49.49	330.85	5.08	-44.41
CSCC[C@H](NC(=O)C1=C2OC=CC2=CC(F)=C1)C1=NN=N[N-]1	REAL300020168039	1	36	-1.0	-49.47	330.91	5.10	-44.37
CSCC[C@H](NC(=O)C1=CC2=C(C)C=CC=C2O1)C1=N[N-]N=N1	REAL300020168040	0	39	-1.0	-45.98	349.73	5.13	-40.85
CSCC[C@H](NC(=O)C1=CC2=C(C)C=CC=C2O1)C1=NN=N[N-]1	REAL300020168040	1	39	-1.0	-46.02	349.79	5.15	-40.87
CSCC[C@H](NC(=O)CC1=NN(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020168041	0	42	-1.0	-52.04	364.41	3.91	-48.13
CSCC[C@H](NC(=O)CC1=NN(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020168041	1	42	-1.0	-52.01	364.47	3.92	-48.09
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1SC)C1=N[N-]N=N1	REAL300020168042	0	39	-1.0	-46.54	361.40	5.77	-40.77
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1SC)C1=NN=N[N-]1	REAL300020168042	1	39	-1.0	-46.56	361.46	5.78	-40.78
CSCC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL300020168043	0	52	0.0	-63.61	418.47	7.48	-56.13
CSCC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL300020168043	1	52	0.0	-62.78	418.88	7.56	-55.22
CSCC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL300020168043	1	52	0.0	-63.59	418.41	7.46	-56.13
CSCC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL300020168043	1	52	0.0	-62.77	418.84	7.55	-55.22
CSCC[C@H](NC(=O)C1=CC2=NC=CC=C2O1)C1=NN=N[N-]1	REAL300020168044	0	35	-1.0	-47.62	323.67	2.68	-44.94
CSCC[C@H](NC(=O)C1=CC2=NC=CC=C2O1)C1=N[N-]N=N1	REAL300020168044	1	35	-1.0	-47.58	323.61	2.67	-44.91
COCCCOC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020168045	0	50	-1.0	-49.42	418.61	4.94	-44.48
COCCCOC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020168045	1	50	-1.0	-49.45	418.67	4.96	-44.49
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168046	0	56	-1.0	-45.00	455.55	4.43	-40.57
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168046	1	56	-1.0	-45.02	455.61	4.44	-40.58
CSCC[C@H](NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168047	0	55	-1.0	-46.37	436.73	3.78	-42.59
CSCC[C@H](NC(=O)CC(C)(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168047	1	55	-1.0	-46.38	436.79	3.79	-42.59
CSCC[C@H](NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NN1C)C1=N[N-]N=N1	REAL300020168048	0	50	-1.0	-44.22	420.08	2.80	-41.42
CSCC[C@H](NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NN1C)C1=NN=N[N-]1	REAL300020168048	1	50	-1.0	-44.21	420.14	2.82	-41.39
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL300020168049	0	43	-1.0	-48.67	381.19	5.88	-42.79
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300020168049	1	43	-1.0	-48.69	381.25	5.89	-42.80
CSCC[C@H](NC(=O)C=CC1=C(C)N=CS1)C1=N[N-]N=N1	REAL300020168050	0	36	-1.0	-46.39	336.86	3.08	-43.31
CSCC[C@H](NC(=O)C=CC1=C(C)N=CS1)C1=NN=N[N-]1	REAL300020168050	1	36	-1.0	-46.37	336.92	3.10	-43.27
CSCC[C@H](NC(=O)C=CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020168051	0	37	-1.0	-45.20	348.79	5.79	-39.41
CSCC[C@H](NC(=O)C=CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020168051	1	37	-1.0	-45.18	348.85	5.80	-39.38
CSCC[C@H](NC(=O)CCC1=NOC(C)=C1)C1=N[N-]N=N1	REAL300020168052	0	38	-1.0	-48.27	340.46	3.68	-44.59
CSCC[C@H](NC(=O)CCC1=NOC(C)=C1)C1=NN=N[N-]1	REAL300020168052	1	38	-1.0	-48.28	340.52	3.69	-44.59
CSCC[C@H](NC(=O)C1CCC[N@@H+]1C(C)C)C1=NN=N[N-]1	REAL300020168053	0	45	0.0	-57.37	346.71	4.57	-52.80
CSCC[C@H](NC(=O)C1CCC[N@H+]1C(C)C)C1=NN=N[N-]1	REAL300020168053	1	45	0.0	-51.43	342.86	4.63	-46.80
CSCC[C@H](NC(=O)C=CC1=CN=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL300020168054	0	45	-1.0	-46.63	398.53	5.06	-41.57
CSCC[C@H](NC(=O)C=CC1=CN=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL300020168054	1	45	-1.0	-46.63	398.59	5.08	-41.55
CSCC[C@H](NC(=O)C=CC1=CC=C(NS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020168055	0	45	-1.0	-52.40	405.42	1.98	-50.42
CSCC[C@H](NC(=O)C=CC1=CC=C(NS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020168055	1	45	-1.0	-52.38	405.47	2.00	-50.38
CSCC[C@H](NC(=O)C=CC1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL300020168056	0	36	-1.0	-45.41	333.37	3.57	-41.84
CSCC[C@H](NC(=O)C=CC1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL300020168056	1	36	-1.0	-45.42	333.43	3.59	-41.83
CCC(C)OC1=CC=CC=C1C=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168057	0	50	-1.0	-50.80	420.96	6.99	-43.81
CCC(C)OC1=CC=CC=C1C=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168057	1	50	-1.0	-50.85	421.02	7.00	-43.85
CSCC[C@H](NC(=O)C=CC1=NC2=CC(Cl)=CC=C2C=C1)C1=N[N-]N=N1	REAL300020168058	0	42	-1.0	-48.41	392.54	6.41	-42.00
CSCC[C@H](NC(=O)C=CC1=NC2=CC(Cl)=CC=C2C=C1)C1=NN=N[N-]1	REAL300020168058	1	42	-1.0	-48.39	392.59	6.43	-41.96
CSCC[C@H](NC(=O)C=CC1=CC=CC(OC2CCCC2)=C1)C1=N[N-]N=N1	REAL300020168059	0	51	-1.0	-46.67	426.14	7.46	-39.21
CSCC[C@H](NC(=O)C=CC1=CC=CC(OC2CCCC2)=C1)C1=NN=N[N-]1	REAL300020168059	1	51	-1.0	-46.66	426.20	7.48	-39.18
CSCC[C@H](NC(=O)C1=CNC=C1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168060	0	44	-1.0	-55.75	379.11	6.37	-49.38
CSCC[C@H](NC(=O)C1=CNC=C1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168060	1	44	-1.0	-55.75	379.17	6.38	-49.37
CSCC[C@H](NC(=O)C(C)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020168061	0	42	-1.0	-46.29	355.33	5.82	-40.47
CSCC[C@H](NC(=O)C(C)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020168061	1	42	-1.0	-46.27	355.39	5.84	-40.43
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NC=N1	REAL300020168062	0	35	-1.0	-44.11	322.17	0.64	-43.47
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NC=N1	REAL300020168062	1	35	-1.0	-44.09	322.11	0.63	-43.46
CSCC[C@H](NC(=O)C1=CN2N=CC(Br)=C2C=C1)C1=NN=N[N-]1	REAL300020168063	0	36	-1.0	-45.04	346.41	4.53	-40.51
CSCC[C@H](NC(=O)C1=CN2N=CC(Br)=C2C=C1)C1=N[N-]N=N1	REAL300020168063	1	36	-1.0	-45.02	346.35	4.51	-40.51
CCC1=CC=C(Br)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168064	0	39	-1.0	-43.84	353.07	6.13	-37.71
CCC1=CC=C(Br)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168064	1	39	-1.0	-43.91	353.13	6.14	-37.77
COC1=CC(Br)=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168065	0	37	-1.0	-45.22	348.30	4.01	-41.21
COC1=CC(Br)=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168065	1	37	-1.0	-45.25	348.36	4.03	-41.22
CSCC[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020168066	0	53	0.0	-73.34	440.21	6.97	-66.37
CSCC[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020168066	1	53	0.0	-73.36	440.27	6.98	-66.38
CSCC[C@H](NC(=O)CC1=NN(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020168067	0	39	-1.0	-52.99	363.60	3.89	-49.10
CSCC[C@H](NC(=O)CC1=NN(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020168067	1	39	-1.0	-53.01	363.65	3.90	-49.11
CSCC[C@H](NC(=O)[C@@H]1CSCC(=O)N1)C1=N[N-]N=N1	REAL300020168068	0	35	-1.0	-45.10	321.89	0.43	-44.67
CSCC[C@H](NC(=O)[C@@H]1CSCC(=O)N1)C1=NN=N[N-]1	REAL300020168068	1	35	-1.0	-45.10	321.95	0.44	-44.66
CSCC[C@H](NC(=O)C1=C2C(Br)=CC=CN2N=C1)C1=NN=N[N-]1	REAL300020168069	0	36	-1.0	-51.36	342.78	4.34	-47.02
CSCC[C@H](NC(=O)C1=C2C(Br)=CC=CN2N=C1)C1=N[N-]N=N1	REAL300020168069	1	36	-1.0	-51.40	342.73	4.32	-47.08
CSCC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C1=N[N-]N=N1	REAL300020168070	0	44	0.0	-62.48	358.24	2.81	-59.67
CSCC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C1=NN=N[N-]1	REAL300020168070	1	44	0.0	-62.50	358.30	2.82	-59.68
CSCC[C@H](NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1=N[N-]N=N1	REAL300020168071	0	45	-2.0	-106.28	393.07	3.36	-102.92
CSCC[C@H](NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1=NN=N[N-]1	REAL300020168071	1	45	-2.0	-106.26	393.13	3.37	-102.89
CSCC[C@H](NC(=O)CC1=CC(=O)N(CC(C)C)N1)C1=N[N-]N=N1	REAL300020168071	1	46	-1.0	-58.10	392.89	3.14	-54.96
CSCC[C@H](NC(=O)C1=CC(=O)N(C)C=C1Br)C1=N[N-]N=N1	REAL300020168072	0	36	-1.0	-48.62	339.23	3.50	-45.12
CSCC[C@H](NC(=O)C1=CC(=O)N(C)C=C1Br)C1=NN=N[N-]1	REAL300020168072	1	36	-1.0	-48.59	339.29	3.51	-45.08
CSCC[C@H](NC(=O)COC1=C(C)OC=CC1=O)C1=N[N-]N=N1	REAL300020168073	0	39	-1.0	-53.99	353.34	3.98	-50.01
CSCC[C@H](NC(=O)COC1=C(C)OC=CC1=O)C1=NN=N[N-]1	REAL300020168073	1	39	-1.0	-53.97	353.40	3.99	-49.98
CSCC[C@H](NC(=O)CC(C)(C)C(F)F)C1=N[N-]N=N1	REAL300020168074	0	38	-1.0	-43.08	325.32	3.84	-39.24
CSCC[C@H](NC(=O)CC(C)(C)C(F)F)C1=NN=N[N-]1	REAL300020168074	1	38	-1.0	-43.06	325.38	3.85	-39.21
CSCC[C@H](NC(=O)CCC1=CC(F)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020168075	0	41	-1.0	-52.95	369.47	6.00	-46.95
CSCC[C@H](NC(=O)CCC1=CC(F)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020168075	1	41	-1.0	-52.96	369.52	6.01	-46.95
CSCC[C@H](NC(=O)CCC1=C(Cl)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020168076	0	41	-1.0	-55.35	380.09	6.50	-48.85
CSCC[C@H](NC(=O)CCC1=C(Cl)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020168076	1	41	-1.0	-55.35	380.15	6.51	-48.84
CSCC[C@H](NC(=O)C1=NC(C2CC2)=NC=C1Br)C1=N[N-]N=N1	REAL300020168077	0	38	-1.0	-43.01	358.65	4.44	-38.57
CSCC[C@H](NC(=O)C1=NC(C2CC2)=NC=C1Br)C1=NN=N[N-]1	REAL300020168077	1	38	-1.0	-43.02	358.71	4.45	-38.57
CSCC[C@H](NC(=O)CN1N=C(C(F)F)C=C1C(F)F)C1=N[N-]N=N1	REAL300020168078	0	39	-1.0	-49.14	367.73	3.67	-45.47
CSCC[C@H](NC(=O)CN1N=C(C(F)F)C=C1C(F)F)C1=NN=N[N-]1	REAL300020168078	1	39	-1.0	-49.14	367.79	3.69	-45.45
CSCC[C@H](NC(=O)C1CCCCC1F)C1=N[N-]N=N1	REAL300020168079	0	39	-1.0	-44.35	326.91	4.54	-39.81
CSCC[C@H](NC(=O)C1CCCCC1F)C1=NN=N[N-]1	REAL300020168079	1	39	-1.0	-44.35	326.97	4.56	-39.79
CSCC[C@H](NC(=O)C1=CC=CC(C(C)(C)C)=C1N)C1=N[N-]N=N1	REAL300020168080	0	47	-1.0	-44.77	374.05	5.03	-39.74
CSCC[C@H](NC(=O)C1=CC=CC(C(C)(C)C)=C1N)C1=NN=N[N-]1	REAL300020168080	1	47	-1.0	-44.80	374.10	5.05	-39.75
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300020168081	0	50	-1.0	-53.81	406.27	5.55	-48.26
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300020168081	1	50	-1.0	-53.80	406.33	5.56	-48.24
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)O1)C1=N[N-]N=N1	REAL300020168082	0	33	-1.0	-41.62	322.92	3.33	-38.29
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)O1)C1=NN=N[N-]1	REAL300020168082	1	33	-1.0	-41.60	322.98	3.34	-38.26
CSCC[C@H](NC(=O)CCCN(C)C(=O)C1=CC=NC=C1)C1=NN=N[N-]1	REAL300020168083	0	48	-1.0	-53.52	409.47	3.98	-49.54
CSCC[C@H](NC(=O)CCCN(C)C(=O)C1=CC=NC=C1)C1=N[N-]N=N1	REAL300020168083	1	48	-1.0	-53.50	409.41	3.97	-49.53
CSCC[C@H](NC(=O)C1(C)C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL300020168084	0	45	-1.0	-46.67	350.81	5.08	-41.59
CSCC[C@H](NC(=O)C1(C)C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL300020168084	1	45	-1.0	-46.68	350.87	5.09	-41.59
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020168085	0	46	-1.0	-48.52	386.53	7.99	-40.53
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020168085	1	46	-1.0	-48.54	386.47	7.98	-40.56
CCC1=NOC(COCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020168086	0	41	-1.0	-54.70	369.69	1.36	-53.34
CCC1=NOC(COCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020168086	1	41	-1.0	-54.68	369.75	1.37	-53.31
CSCC[C@H](NC(=O)CC1CCC(C(F)(F)F)O1)C1=N[N-]N=N1	REAL300020168087	0	40	-1.0	-48.88	357.73	3.86	-45.02
CSCC[C@H](NC(=O)CC1CCC(C(F)(F)F)O1)C1=NN=N[N-]1	REAL300020168087	1	40	-1.0	-48.87	357.79	3.88	-44.99
COC1=CC2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C(C)N=C2C=C1	REAL300020168088	0	45	-1.0	-46.84	384.46	4.43	-42.41
COC1=CC2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C(C)N=C2C=C1	REAL300020168088	1	45	-1.0	-46.84	384.51	4.44	-42.40
CSCC[C@H](NC(=O)C1=NC=C(C)C=C1C)C1=NN=N[N-]1	REAL300020168089	0	38	-1.0	-47.09	332.31	3.69	-43.40
CSCC[C@H](NC(=O)C1=NC=C(C)C=C1C)C1=N[N-]N=N1	REAL300020168089	1	38	-1.0	-47.10	332.25	3.68	-43.42
CSCC[C@H](NC(=O)C1=NC(C)=CC=C1Br)C1=N[N-]N=N1	REAL300020168090	0	35	-1.0	-47.75	332.65	3.58	-44.17
CSCC[C@H](NC(=O)C1=NC(C)=CC=C1Br)C1=NN=N[N-]1	REAL300020168090	1	35	-1.0	-47.73	332.71	3.60	-44.13
CSCC[C@H](NC(=O)C1=CC=C(OC(F)F)C=C1F)C1=N[N-]N=N1	REAL300020168091	0	37	-1.0	-52.63	341.23	3.75	-48.88
CSCC[C@H](NC(=O)C1=CC=C(OC(F)F)C=C1F)C1=NN=N[N-]1	REAL300020168091	1	37	-1.0	-52.65	341.28	3.77	-48.88
CSCC[C@H](NC(=O)C1=C(C)C=CC2=CC(C)=CC=C21)C1=NN=N[N-]1	REAL300020168092	0	45	-1.0	-53.68	387.38	7.29	-46.39
CSCC[C@H](NC(=O)C1=C(C)C=CC2=CC(C)=CC=C21)C1=N[N-]N=N1	REAL300020168092	1	45	-1.0	-53.66	387.32	7.27	-46.39
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300020168093	0	40	-1.0	-49.65	362.75	5.80	-43.85
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300020168093	1	40	-1.0	-49.64	362.80	5.81	-43.83
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168094	0	48	-1.0	-52.29	412.21	5.97	-46.32
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168094	1	48	-1.0	-52.26	412.15	5.95	-46.31
CSCC[C@H](NC(=O)C1CC(C2=CN(C)N=C2C)=NO1)C1=N[N-]N=N1	REAL300020168095	0	44	-1.0	-55.79	388.63	3.96	-51.83
CSCC[C@H](NC(=O)C1CC(C2=CN(C)N=C2C)=NO1)C1=NN=N[N-]1	REAL300020168095	1	44	-1.0	-55.80	388.68	3.97	-51.83
CSCC[C@H](NC(=O)C1=CC=NC(C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL300020168096	0	39	-1.0	-49.67	354.53	4.10	-45.57
CSCC[C@H](NC(=O)C1=CC=NC(C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL300020168096	1	39	-1.0	-49.61	354.47	4.09	-45.52
CSCC[C@H](NC(=O)C1=CC=NC(C2=CC=CC=N2)=N1)C1=N[N-]N=N1	REAL300020168097	0	40	-1.0	-50.16	365.14	3.57	-46.59
CSCC[C@H](NC(=O)C1=CC=NC(C2=CC=CC=N2)=N1)C1=NN=N[N-]1	REAL300020168097	1	40	-1.0	-50.14	365.19	3.59	-46.55
CSCC[C@H](NC(=O)C1=CC=C2CCC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL300020168098	0	44	-1.0	-51.48	374.21	4.98	-46.50
CSCC[C@H](NC(=O)C1=CC=C2CCC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL300020168098	1	44	-1.0	-51.51	374.27	5.00	-46.51
CSCC[C@H](NC(=O)CCNC(=O)C=CCl)C1=N[N-]N=N1	REAL300020168099	0	37	-1.0	-52.01	351.98	1.24	-50.77
CSCC[C@H](NC(=O)CCNC(=O)C=CCl)C1=NN=N[N-]1	REAL300020168099	1	37	-1.0	-52.00	352.04	1.26	-50.74
CSCC[C@H](NC(=O)C1=CN=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL300020168100	0	35	-1.0	-42.94	332.24	3.39	-39.55
CSCC[C@H](NC(=O)C1=CN=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL300020168100	1	35	-1.0	-42.92	332.18	3.37	-39.55
CSCC[C@H](NC(=O)C1(C)CC2=CC=C(C)C=C2C(=O)O1)C1=N[N-]N=N1	REAL300020168101	0	46	-1.0	-47.78	393.65	6.18	-41.60
CSCC[C@H](NC(=O)C1(C)CC2=CC=C(C)C=C2C(=O)O1)C1=NN=N[N-]1	REAL300020168101	1	46	-1.0	-47.76	393.71	6.19	-41.57
CSCC[C@H](NC(=O)C1=CC(Br)=CN=C1C1CC1)C1=N[N-]N=N1	REAL300020168102	0	39	-1.0	-42.30	360.85	5.24	-37.06
CSCC[C@H](NC(=O)C1=CC(Br)=CN=C1C1CC1)C1=NN=N[N-]1	REAL300020168102	1	39	-1.0	-42.31	360.91	5.25	-37.06
CSCC[C@H](NC(=O)C1(N2C=C(Br)C=N2)CC1)C1=NN=N[N-]1	REAL300020168103	0	37	-1.0	-42.05	356.91	3.95	-38.10
CSCC[C@H](NC(=O)C1(N2C=C(Br)C=N2)CC1)C1=N[N-]N=N1	REAL300020168103	1	37	-1.0	-42.07	356.85	3.93	-38.14
CSCC[C@H](NC(=O)C1=CC(=O)NC2=C1CCCC2)C1=N[N-]N=N1	REAL300020168104	0	43	-1.0	-48.46	359.76	3.40	-45.06
CSCC[C@H](NC(=O)C1=CC(=O)NC2=C1CCCC2)C1=NN=N[N-]1	REAL300020168104	1	43	-1.0	-48.43	359.82	3.41	-45.02
CSCC[C@H](NC(=O)C1=C2C=COC2=CC=N1)C1=NN=N[N-]1	REAL300020168105	0	35	-1.0	-49.86	320.04	2.72	-47.14
CSCC[C@H](NC(=O)C1=C2C=COC2=CC=N1)C1=N[N-]N=N1	REAL300020168105	1	35	-1.0	-49.83	319.98	2.70	-47.13
CSCC[C@H](NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1=N[N-]N=N1	REAL300020168106	0	50	-1.0	-51.31	407.67	1.56	-49.75
CSCC[C@H](NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1=NN=N[N-]1	REAL300020168106	1	50	-1.0	-51.34	407.73	1.57	-49.77
CSCC[C@H](NC(=O)C1=CC=CC(NC2=NC=CS2)=C1)C1=NN=N[N-]1	REAL300020168107	0	41	-1.0	-53.84	374.63	5.27	-48.57
CSCC[C@H](NC(=O)C1=CC=CC(NC2=NC=CS2)=C1)C1=N[N-]N=N1	REAL300020168107	1	41	-1.0	-53.86	374.57	5.25	-48.61
CCCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(=O)N1	REAL300020168108	0	42	-1.0	-51.15	366.87	3.07	-48.08
CCCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(=O)N1	REAL300020168108	1	42	-1.0	-51.16	366.93	3.09	-48.07
CSCC[C@H](NC(=O)C1=CNC(=O)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020168109	0	36	-1.0	-45.89	339.09	2.07	-43.82
CSCC[C@H](NC(=O)C1=CNC(=O)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020168109	1	36	-1.0	-45.91	339.15	2.08	-43.83
CCSC1=CNC(=O)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168110	0	40	-1.0	-56.93	361.34	3.14	-53.79
CCSC1=CNC(=O)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168110	1	40	-1.0	-56.88	361.40	3.16	-53.72
CSCC[C@H](NC(=O)C1=C2N=C(C(F)F)NC2=CC=C1)C1=N[N-]N=N1	REAL300020168111	0	39	-1.0	-55.71	357.84	3.88	-51.83
CSCC[C@H](NC(=O)C1=C2N=C(C(F)F)NC2=CC=C1)C1=NN=N[N-]1	REAL300020168111	1	39	-1.0	-55.77	357.90	3.90	-51.87
CSCC[C@H](NC(=O)C12CCOC1CCCC2)C1=N[N-]N=N1	REAL300020168112	0	44	-1.0	-46.15	345.92	3.74	-42.41
CSCC[C@H](NC(=O)C12CCOC1CCCC2)C1=NN=N[N-]1	REAL300020168112	1	44	-1.0	-46.17	345.98	3.76	-42.41
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2OC1C(F)F)C1=N[N-]N=N1	REAL300020168113	0	42	-1.0	-48.38	370.12	5.42	-42.96
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2OC1C(F)F)C1=NN=N[N-]1	REAL300020168113	1	42	-1.0	-48.38	370.17	5.43	-42.95
CSCC[C@H](NC(=O)CC1=CC=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020168114	0	38	-1.0	-51.20	355.34	4.15	-47.05
CSCC[C@H](NC(=O)CC1=CC=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020168114	1	38	-1.0	-51.17	355.40	4.17	-47.00
CCOC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020168115	0	42	-1.0	-50.15	369.64	2.68	-47.47
CCOC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020168115	1	42	-1.0	-50.17	369.70	2.69	-47.48
CSCC[C@H](NC(=O)C1=CC(C)=C(C)C=N1)C1=N[N-]N=N1	REAL300020168116	0	38	-1.0	-47.93	333.49	3.56	-44.37
CSCC[C@H](NC(=O)C1=CC(C)=C(C)C=N1)C1=NN=N[N-]1	REAL300020168116	1	38	-1.0	-47.92	333.54	3.58	-44.34
CSCC[C@H](NC(=O)COC1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300020168117	0	46	0.0	-69.75	377.69	4.59	-65.16
CSCC[C@H](NC(=O)COC1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300020168117	1	46	0.0	-69.69	377.74	4.61	-65.08
CSCC[C@H](NC(=O)C1=CC(=O)NC=C1Br)C1=N[N-]N=N1	REAL300020168118	0	33	-1.0	-48.35	319.04	1.63	-46.72
CSCC[C@H](NC(=O)C1=CC(=O)NC=C1Br)C1=NN=N[N-]1	REAL300020168118	1	33	-1.0	-48.35	319.09	1.64	-46.71
CSCC[C@H](NC(=O)C1=C(C)NN=C1Br)C1=N[N-]N=N1	REAL300020168119	0	33	-1.0	-43.39	324.52	1.48	-41.91
CSCC[C@H](NC(=O)C1=C(C)NN=C1Br)C1=NN=N[N-]1	REAL300020168119	1	33	-1.0	-43.37	324.58	1.50	-41.87
CSCC[C@H](NC(=O)[C@@H](C)NC(=O)CN1C=NN=N1)C1=NN=N[N-]1	REAL300020168120	0	41	-1.0	-58.82	369.54	0.68	-58.14
CSCC[C@H](NC(=O)[C@@H](C)NC(=O)CN1C=NN=N1)C1=N[N-]N=N1	REAL300020168120	1	41	-1.0	-58.85	369.48	0.66	-58.19
CSCC[C@H](NC(=O)C(F)(F)C1=CN=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300020168121	0	38	-1.0	-42.27	362.46	4.11	-38.16
CSCC[C@H](NC(=O)C(F)(F)C1=CN=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300020168121	1	38	-1.0	-42.26	362.41	4.09	-38.17
CSCC[C@H](NC(=O)C1=C2N=C(C)N=C2NC=C1)C1=N[N-]N=N1	REAL300020168122	0	38	-1.0	-69.72	339.75	2.95	-66.77
CSCC[C@H](NC(=O)C1=C2N=C(C)N=C2NC=C1)C1=NN=N[N-]1	REAL300020168122	1	38	-1.0	-69.71	339.81	2.96	-66.75
CSCC[C@H](NC(=O)C1=CC2=C(CCC(C(C)C)C2)NC1=O)C1=N[N-]N=N1	REAL300020168123	0	52	-1.0	-54.14	418.67	5.45	-48.69
CSCC[C@H](NC(=O)C1=CC2=C(CCC(C(C)C)C2)NC1=O)C1=NN=N[N-]1	REAL300020168123	1	52	-1.0	-54.14	418.73	5.46	-48.68
CSCC[C@H](NC(=O)CN1N=C(C)C2=CC=CN=C21)C1=N[N-]N=N1	REAL300020168124	0	41	-1.0	-56.44	367.70	4.14	-52.30
CSCC[C@H](NC(=O)CN1N=C(C)C2=CC=CN=C21)C1=NN=N[N-]1	REAL300020168124	1	41	-1.0	-56.42	367.76	4.16	-52.26
CCCOC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=C(F)C=C1C	REAL300020168125	0	49	-1.0	-44.79	413.59	7.43	-37.36
CCCOC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=C(F)C=C1C	REAL300020168125	1	49	-1.0	-44.82	413.65	7.44	-37.38
CSCC[C@H](NC(=O)C1=CC=C(CN2CCCCC2)O1)C1=N[N-]N=N1	REAL300020168126	0	48	-1.0	-46.38	400.45	3.86	-42.52
CSCC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=NN=N[N-]1	REAL300020168126	1	49	0.0	-67.89	402.86	6.11	-61.78
CSCC[C@H](NC(=O)C1=CC=C(CN2CCCCC2)O1)C1=NN=N[N-]1	REAL300020168126	1	48	-1.0	-46.39	400.51	3.87	-42.52
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CN1C=NN=N1)C1=NN=N[N-]1	REAL300020168127	0	41	-1.0	-53.52	369.55	0.70	-52.82
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CN1C=NN=N1)C1=N[N-]N=N1	REAL300020168127	1	41	-1.0	-53.51	369.49	0.67	-52.84
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(N(C)C)C=C1)C1=N[N-]N=N1	REAL300020168128	0	48	-1.0	-46.95	401.57	6.51	-40.44
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(N(C)C)C=C1)C1=NN=N[N-]1	REAL300020168128	1	48	-1.0	-46.90	401.63	6.53	-40.37
CSCC[C@H](NC(=O)C1=CC=C(CC2CC2)S1)C1=N[N-]N=N1	REAL300020168129	0	40	-1.0	-45.56	364.60	6.23	-39.33
CSCC[C@H](NC(=O)C1=CC=C(CC2CC2)S1)C1=NN=N[N-]1	REAL300020168129	1	40	-1.0	-45.57	364.66	6.25	-39.32
COC1=CC(OC)=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168130	0	44	-1.0	-50.74	381.16	3.37	-47.37
COC1=CC(OC)=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168130	1	44	-1.0	-50.77	381.22	3.39	-47.38
CSCC[C@H](NC(=O)C1=CC=CC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020168131	0	42	-1.0	-49.16	371.64	6.01	-43.15
CSCC[C@H](NC(=O)C1=CC=CC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020168131	1	42	-1.0	-49.10	371.59	6.00	-43.10
CSCC[C@H](NC(=O)C1CCC2=CNN=C21)C1=N[N-]N=N1	REAL300020168132	0	37	-1.0	-48.63	323.88	2.24	-46.39
CSCC[C@H](NC(=O)C1CCC2=CNN=C21)C1=NN=N[N-]1	REAL300020168132	1	37	-1.0	-48.63	323.93	2.25	-46.38
CSCC[C@H](NC(=O)CCCCCCCCC1CC1)C1=N[N-]N=N1	REAL300020168133	0	54	-1.0	-45.34	444.25	8.80	-36.54
CSCC[C@H](NC(=O)CCCCCCCCC1CC1)C1=NN=N[N-]1	REAL300020168133	1	54	-1.0	-45.31	444.31	8.81	-36.50
CSCC[C@H](NC(=O)CC1CCCOCC1)C1=N[N-]N=N1	REAL300020168134	0	43	-1.0	-44.33	346.47	3.26	-41.07
CSCC[C@H](NC(=O)CC1CCCOCC1)C1=NN=N[N-]1	REAL300020168134	1	43	-1.0	-44.35	346.52	3.27	-41.08
C=CCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020168135	0	37	-1.0	-47.09	336.95	3.26	-43.83
C=CCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020168135	1	37	-1.0	-47.09	336.89	3.25	-43.84
CSCC[C@H](NC(=O)C12CCC(C)(CC1)OC2)C1=N[N-]N=N1	REAL300020168136	0	44	-1.0	-44.03	354.87	3.53	-40.50
CSCC[C@H](NC(=O)C12CCC(C)(CC1)OC2)C1=NN=N[N-]1	REAL300020168136	1	44	-1.0	-44.03	354.92	3.54	-40.49
CSCC[C@H](NC(=O)C1(C)CCC(C)CC1)C1=N[N-]N=N1	REAL300020168137	0	45	-1.0	-45.64	356.01	5.23	-40.41
CSCC[C@H](NC(=O)C1(C)CCC(C)CC1)C1=NN=N[N-]1	REAL300020168137	1	45	-1.0	-45.64	356.07	5.25	-40.39
CSCC[C@H](NC(=O)C1=C(C(C)C)N=NS1)C1=N[N-]N=N1	REAL300020168138	0	37	-1.0	-41.24	339.17	2.60	-38.64
CSCC[C@H](NC(=O)C1=C(C(C)C)N=NS1)C1=NN=N[N-]1	REAL300020168138	1	37	-1.0	-41.24	339.23	2.61	-38.63
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300020168139	0	39	-2.0	-90.96	360.11	3.65	-87.31
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300020168139	1	39	-2.0	-90.99	360.17	3.66	-87.33
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=N[N-]N=N1	REAL300020168140	0	33	-2.0	-108.71	325.17	4.19	-104.52
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=NN=N[N-]1	REAL300020168140	1	33	-2.0	-108.67	325.23	4.20	-104.47
CSCC[C@H](NC(=O)C1(CC(C)C)COC1)C1=N[N-]N=N1	REAL300020168141	0	43	-1.0	-45.93	349.83	3.05	-42.88
CSCC[C@H](NC(=O)C1(CC(C)C)COC1)C1=NN=N[N-]1	REAL300020168141	1	43	-1.0	-45.97	349.89	3.07	-42.90
CSCC[C@H](NC(=O)C1=CC2=C(C=NN2C)NC1=O)C1=N[N-]N=N1	REAL300020168142	0	39	-1.0	-51.47	349.68	1.08	-50.39
CSCC[C@H](NC(=O)C1=CC2=C(C=NN2C)NC1=O)C1=NN=N[N-]1	REAL300020168142	1	39	-1.0	-51.41	349.74	1.09	-50.32
CSCC[C@H](NC(=O)C1CCCC2=CNN=C21)C1=N[N-]N=N1	REAL300020168143	0	40	-1.0	-50.14	340.27	3.05	-47.09
CSCC[C@H](NC(=O)C1CCCC2=CNN=C21)C1=NN=N[N-]1	REAL300020168143	1	40	-1.0	-50.13	340.33	3.06	-47.07
COC1=C2C=CSC2=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020168144	0	40	-1.0	-49.93	361.15	4.77	-45.16
COC1=C2C=CSC2=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020168144	1	40	-1.0	-49.94	361.21	4.79	-45.15
CSCC[C@H](NC(=O)C1=CC=CC(C2(C)CC2)=C1)C1=N[N-]N=N1	REAL300020168145	0	43	-1.0	-47.66	364.00	6.56	-41.10
CSCC[C@H](NC(=O)C1=CC=CC(C2(C)CC2)=C1)C1=NN=N[N-]1	REAL300020168145	1	43	-1.0	-47.68	364.06	6.58	-41.10
CSCC[C@H](NC(=O)C1=CC=C(N2CCC(C)C2)C=C1)C1=N[N-]N=N1	REAL300020168146	0	48	-1.0	-46.35	392.21	5.08	-41.27
CSCC[C@H](NC(=O)C1=CC=C(N2CCC(C)C2)C=C1)C1=NN=N[N-]1	REAL300020168146	1	48	-1.0	-46.39	392.26	5.10	-41.29
CSCC[C@H](NC(=O)C(C)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL300020168147	0	39	-1.0	-47.12	350.89	5.45	-41.67
CSCC[C@H](NC(=O)C(C)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL300020168147	1	39	-1.0	-47.13	350.95	5.46	-41.67
CSCC[C@H](NC(=O)CCC1=CC(C)=NO1)C1=N[N-]N=N1	REAL300020168148	0	38	-1.0	-47.36	340.48	3.73	-43.63
CSCC[C@H](NC(=O)CCC1=CC(C)=NO1)C1=NN=N[N-]1	REAL300020168148	1	38	-1.0	-47.37	340.54	3.75	-43.62
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCS2(=O)=O)C1=N[N-]N=N1	REAL300020168149	0	40	-1.0	-53.21	361.91	1.98	-51.23
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCS2(=O)=O)C1=NN=N[N-]1	REAL300020168149	1	40	-1.0	-53.23	361.97	1.99	-51.24
CSCC[C@H](NC(=O)C1=CC2=CC=C(Cl)C=C2S1)C1=N[N-]N=N1	REAL300020168150	0	36	-1.0	-43.88	353.35	6.00	-37.88
CSCC[C@H](NC(=O)C1=CC2=CC=C(Cl)C=C2S1)C1=NN=N[N-]1	REAL300020168150	1	36	-1.0	-43.86	353.41	6.01	-37.85
CSCC[C@H](NC(=O)C1=NOC(C2CCC2)=C1)C1=N[N-]N=N1	REAL300020168151	0	39	-1.0	-44.51	346.39	4.28	-40.23
CSCC[C@H](NC(=O)C1=NOC(C2CCC2)=C1)C1=NN=N[N-]1	REAL300020168151	1	39	-1.0	-44.48	346.45	4.29	-40.19
CSCC[C@H](NC(=O)C1=NOC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168152	0	39	-1.0	-47.93	354.23	5.11	-42.82
CSCC[C@H](NC(=O)C1=NOC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168152	1	39	-1.0	-47.94	354.17	5.10	-42.84
CSCC[C@H](NC(=O)COCC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020168153	0	43	-1.0	-49.72	395.37	6.15	-43.57
CSCC[C@H](NC(=O)COCC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020168153	1	43	-1.0	-49.72	395.42	6.17	-43.55
CSCC[C@H](NC(=O)CC1C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL300020168154	0	45	-1.0	-46.23	365.13	5.41	-40.82
CSCC[C@H](NC(=O)CC1C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL300020168154	1	45	-1.0	-46.21	365.19	5.42	-40.79
CSCC[C@H](NC(=O)C1CC2(C1)CC(C)(C)C2)C1=N[N-]N=N1	REAL300020168155	0	46	-1.0	-48.40	370.50	5.86	-42.54
CSCC[C@H](NC(=O)C1CC2(C1)CC(C)(C)C2)C1=NN=N[N-]1	REAL300020168155	1	46	-1.0	-48.40	370.56	5.88	-42.52
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1N)C1=N[N-]N=N1	REAL300020168156	0	35	-1.0	-43.32	313.74	2.37	-40.95
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1N)C1=NN=N[N-]1	REAL300020168156	1	35	-1.0	-43.34	313.80	2.38	-40.96
COC1=CC=CC(N2C=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=N2)=C1	REAL300020168157	0	44	-1.0	-53.10	388.45	4.55	-48.55
COC1=CC=CC(N2C=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=N2)=C1	REAL300020168157	1	44	-1.0	-53.13	388.40	4.53	-48.60
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL300020168158	0	40	-1.0	-49.19	367.31	5.04	-44.15
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL300020168158	1	40	-1.0	-49.19	367.36	5.06	-44.13
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)C1=N[N-]N=N1	REAL300020168159	0	48	-1.0	-45.01	378.13	5.80	-39.21
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)C1=NN=N[N-]1	REAL300020168159	1	48	-1.0	-45.01	378.19	5.82	-39.19
CSCC[C@H](NC(=O)C1=NC(C)=C(Br)S1)C1=N[N-]N=N1	REAL300020168160	0	32	-1.0	-44.87	326.32	2.40	-42.47
CSCC[C@H](NC(=O)C1=NC(C)=C(Br)S1)C1=NN=N[N-]1	REAL300020168160	1	32	-1.0	-44.86	326.37	2.41	-42.45
CSCC[C@H](NC(=O)C1=CN2C=CN=CC2=N1)C1=NN=N[N-]1	REAL300020168161	0	35	-1.0	-47.95	322.90	2.81	-45.14
CSCC[C@H](NC(=O)C1=CN2C=CN=CC2=N1)C1=N[N-]N=N1	REAL300020168161	1	35	-1.0	-47.92	322.84	2.80	-45.12
CSCC[C@H](NC(=O)C1=NC(C(C)(C)C)=NN1)C1=N[N-]N=N1	REAL300020168162	0	41	-1.0	-41.54	358.84	2.71	-38.83
CSCC[C@H](NC(=O)C1=NC(C(C)(C)C)=NN1)C1=NN=N[N-]1	REAL300020168162	1	41	-1.0	-41.55	358.90	2.72	-38.83
COC1=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NC2=CC(Cl)=C1	REAL300020168163	0	41	-1.0	-45.76	377.57	3.83	-41.93
COC1=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NC2=CC(Cl)=C1	REAL300020168163	1	41	-1.0	-45.74	377.63	3.85	-41.89
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020168164	0	42	-1.0	-47.01	369.15	5.79	-41.22
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020168164	1	42	-1.0	-47.01	369.09	5.78	-41.23
CSCC[C@H](NC(=O)C1=CN(CC2CCCO2)N=N1)C1=NN=N[N-]1	REAL300020168165	0	43	-1.0	-50.13	377.08	1.52	-48.61
CSCC[C@H](NC(=O)C1=CN(CC2CCCO2)N=N1)C1=N[N-]N=N1	REAL300020168165	1	43	-1.0	-50.12	377.02	1.51	-48.61
CSCC[C@H](NC(=O)C1=NN2C=CC(C(F)(F)F)=NC2=N1)C1=NN=N[N-]1	REAL300020168166	0	37	-1.0	-51.89	359.10	5.36	-46.53
CSCC[C@H](NC(=O)C1=NN2C=CC(C(F)(F)F)=NC2=N1)C1=N[N-]N=N1	REAL300020168166	1	37	-1.0	-51.89	359.04	5.35	-46.54
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=N1	REAL300020168167	0	40	-1.0	-49.23	354.71	0.84	-48.39
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=N1	REAL300020168167	1	40	-1.0	-49.23	354.66	0.83	-48.40
CSCC[C@H](NC(=O)C(CC(C)C)C(C)C)C1=N[N-]N=N1	REAL300020168168	0	47	-1.0	-46.12	368.66	6.04	-40.08
CSCC[C@H](NC(=O)C(CC(C)C)C(C)C)C1=NN=N[N-]1	REAL300020168168	1	47	-1.0	-46.12	368.72	6.04	-40.08
CSCC[C@H](NC(=O)C1C2CCC(C2)C1(C)C)C1=N[N-]N=N1	REAL300020168169	0	46	-1.0	-46.98	355.78	5.56	-41.42
CSCC[C@H](NC(=O)C1C2CCC(C2)C1(C)C)C1=NN=N[N-]1	REAL300020168169	1	46	-1.0	-46.99	355.85	5.56	-41.43
CSCC[C@H](NC(=O)CC1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020168170	0	40	-1.0	-58.12	356.71	1.53	-56.59
CSCC[C@H](NC(=O)CC1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020168170	1	40	-1.0	-58.12	356.76	1.55	-56.57
CCC(=O)NC1=CN=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168171	0	42	-1.0	-57.64	369.10	2.03	-55.61
CCC(=O)NC1=CN=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168171	1	42	-1.0	-57.67	369.04	2.01	-55.66
CCC[C@H](CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020168172	0	55	-1.0	-52.68	443.35	4.10	-48.58
CCC[C@H](CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020168172	1	55	-1.0	-52.68	443.41	4.11	-48.57
CSCC[C@H](NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168173	0	53	-1.0	-44.98	429.40	4.91	-40.07
CSCC[C@H](NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168173	1	53	-1.0	-44.95	429.46	4.92	-40.03
CCC[C@@H](CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020168174	0	55	-1.0	-50.75	443.31	4.10	-46.65
CCC[C@@H](CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020168174	1	55	-1.0	-50.73	443.36	4.11	-46.62
CSCC[C@H](NC(=O)C1=CC(Cl)=C(N)C=C1F)C1=N[N-]N=N1	REAL300020168175	0	35	-1.0	-48.69	331.37	2.63	-46.06
CSCC[C@H](NC(=O)C1=CC(Cl)=C(N)C=C1F)C1=NN=N[N-]1	REAL300020168175	1	35	-1.0	-48.70	331.43	2.65	-46.05
CCC(C)C(C)NC1=NC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020168176	0	52	-1.0	-49.48	434.31	5.23	-44.25
CCC(C)C(C)NC1=NC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020168176	1	52	-1.0	-49.44	434.37	5.25	-44.19
CSCC[C@H](NC(=O)C=CC1=CC=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020168177	0	43	-1.0	-49.85	382.79	2.51	-47.34
CSCC[C@H](NC(=O)C=CC1=CC=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020168177	1	43	-1.0	-49.88	382.84	2.52	-47.36
CSCC[C@H](NC(=O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168178	0	56	-1.0	-50.38	426.35	5.74	-44.64
CSCC[C@H](NC(=O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168178	1	56	-1.0	-50.39	426.37	5.76	-44.63
CSCC[C@H](NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)C1=N[N-]N=N1	REAL300020168179	0	54	-1.0	-46.96	441.72	4.18	-42.78
CSCC[C@H](NC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)C1=NN=N[N-]1	REAL300020168179	1	54	-1.0	-46.99	441.77	4.19	-42.80
CSCC[C@H](NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCCC1)C1=N[N-]N=N1	REAL300020168180	0	56	-1.0	-49.91	432.86	5.58	-44.33
CSCC[C@H](NC(=O)C1(N(C)C(=O)OC(C)(C)C)CCCC1)C1=NN=N[N-]1	REAL300020168180	1	56	-1.0	-49.88	432.92	5.60	-44.28
CSCC[C@H](NC(=O)C12CCC1CCN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168181	0	54	-1.0	-49.33	431.19	5.20	-44.13
CSCC[C@H](NC(=O)C12CCC1CCN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168181	1	54	-1.0	-49.30	431.25	5.21	-44.09
CSCC[C@H](NC(=O)C1=CC=C(F)C(O)=C1)C1=N[N-]N=N1	REAL300020168182	0	34	-1.0	-45.71	314.75	1.31	-44.40
CSCC[C@H](NC(=O)C1=CC=C(F)C(O)=C1)C1=NN=N[N-]1	REAL300020168182	1	34	-1.0	-45.73	314.81	1.33	-44.40
CSCC[C@H](NC(=O)C1=CC=C(F)C([O-])=C1)C1=N[N-]N=N1	REAL300020168182	1	33	-2.0	-100.84	311.19	2.06	-98.78
CSCC[C@H](NC(=O)C1=CC=C(F)C([O-])=C1)C1=NN=N[N-]1	REAL300020168182	1	33	-2.0	-100.84	311.25	2.07	-98.77
CSCC[C@H](NC(=O)CC(O)C[NH+](C)C)C1=N[N-]N=N1	REAL300020168183	0	42	0.0	-67.09	350.21	1.52	-65.57
CSCC[C@H](NC(=O)CC(O)C[NH+](C)C)C1=NN=N[N-]1	REAL300020168183	1	42	0.0	-67.12	350.27	1.54	-65.58
CCOC(=O)C1CC12CC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C2	REAL300020168184	0	46	-1.0	-47.94	394.56	5.97	-41.97
CCOC(=O)C1CC12CC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C2	REAL300020168184	1	46	-1.0	-47.91	394.62	5.98	-41.93
CSCC[C@H](NC(=O)C1=CN(C)N=C1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168185	0	50	-1.0	-53.50	423.44	3.45	-50.05
CSCC[C@H](NC(=O)C1=CN(C)N=C1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168185	1	50	-1.0	-53.48	423.50	3.47	-50.01
CSCC[C@H](NC(=O)C12CCC(CN1C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300020168186	0	54	-1.0	-63.93	428.23	6.19	-57.74
CSCC[C@H](NC(=O)C12CCC(CN1C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300020168186	1	54	-1.0	-63.95	428.29	6.20	-57.75
CSCC[C@H](NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=N[N-]N=N1	REAL300020168187	0	33	-2.0	-97.63	320.99	2.54	-95.09
CSCC[C@H](NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=NN=N[N-]1	REAL300020168187	1	33	-2.0	-97.57	321.05	2.56	-95.01
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(O)=C1)C1=N[N-]N=N1	REAL300020168187	1	34	-1.0	-45.34	324.55	1.79	-43.55
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(O)=C1)C1=NN=N[N-]1	REAL300020168187	1	34	-1.0	-45.34	324.61	1.81	-43.53
CSCC[C@H](NC(=O)C1=CC2=C(C=CN2C)N1)C1=N[N-]N=N1	REAL300020168188	0	38	-1.0	-49.11	338.46	3.59	-45.52
CSCC[C@H](NC(=O)C1=CC2=C(C=CN2C)N1)C1=NN=N[N-]1	REAL300020168188	1	38	-1.0	-49.11	338.52	3.60	-45.51
COC(=O)C1=CC=C(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N1	REAL300020168189	0	43	-1.0	-47.11	385.25	3.85	-43.26
COC(=O)C1=CC=C(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N1	REAL300020168189	1	43	-1.0	-47.07	385.31	3.86	-43.21
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL300020168190	0	35	-1.0	-41.94	343.68	3.51	-38.43
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL300020168190	1	35	-1.0	-41.93	343.62	3.49	-38.44
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL300020168190	1	34	-2.0	-103.60	339.84	1.55	-102.05
CC#CCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168191	0	51	-1.0	-43.79	426.74	3.72	-40.07
CC#CCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168191	1	51	-1.0	-43.81	426.80	3.74	-40.07
CSCC[C@H](NC(=O)CCCC1CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020168192	0	56	-1.0	-51.82	460.57	5.71	-46.11
CSCC[C@H](NC(=O)CCCC1CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020168192	1	56	-1.0	-51.80	460.62	5.72	-46.08
CSCC[C@H](NC(=O)C12CC(C1)CN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168193	0	51	-1.0	-56.09	412.51	5.24	-50.85
CSCC[C@H](NC(=O)C12CC(C1)CN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168193	1	51	-1.0	-56.08	412.57	5.25	-50.83
CCOC1(OCC)CC(C)(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020168194	0	50	-1.0	-45.88	408.95	5.17	-40.71
CCOC1(OCC)CC(C)(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020168194	1	50	-1.0	-45.81	409.01	5.19	-40.62
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC(Cl)=C1Cl	REAL300020168195	0	34	-1.0	-44.38	352.55	4.53	-39.85
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC(Cl)=C1Cl	REAL300020168195	1	34	-1.0	-44.36	352.61	4.55	-39.81
COCC1CCN(C2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2)C1	REAL300020168196	0	52	-1.0	-45.99	428.85	4.27	-41.72
COCC1CCN(C2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2)C1	REAL300020168196	1	52	-1.0	-45.99	428.90	4.28	-41.71
CSCC[C@H](NC(=O)CC(C(F)F)N1C=CC=N1)C1=NN=N[N-]1	REAL300020168197	0	39	-1.0	-49.88	348.28	3.75	-46.13
CSCC[C@H](NC(=O)CC(C(F)F)N1C=CC=N1)C1=N[N-]N=N1	REAL300020168197	1	39	-1.0	-49.84	348.23	3.74	-46.10
CSCC[C@H](NC(=O)CN1C=NC2=C1N=C(N)NC2=O)C1=N[N-]N=N1	REAL300020168198	0	40	-1.0	-60.77	364.51	2.96	-57.81
CSCC[C@H](NC(=O)CN1C=NC2=C1N=C(N)NC2=O)C1=NN=N[N-]1	REAL300020168198	1	40	-1.0	-60.78	364.56	2.97	-57.81
CSCC[C@H](NC(=O)[C@@H](NC1=CC=CC=C1)C(C)C)C1=N[N-]N=N1	REAL300020168199	0	47	-1.0	-46.85	390.23	5.35	-41.50
CSCC[C@H](NC(=O)[C@@H](NC1=CC=CC=C1)C(C)C)C1=NN=N[N-]1	REAL300020168199	1	47	-1.0	-46.87	390.29	5.36	-41.51
CSCC[C@H](NC(=O)C1=CC(NCC2=CC=CC=C2)=CC=N1)C1=N[N-]N=N1	REAL300020168200	0	47	-1.0	-48.20	411.38	4.98	-43.22
CSCC[C@H](NC(=O)C1=CC(NCC2=CC=CC=C2)=CC=N1)C1=NN=N[N-]1	REAL300020168200	1	47	-1.0	-48.23	411.44	4.99	-43.24
C=CCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168201	0	53	-1.0	-44.87	434.05	3.65	-41.22
C=CCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168201	1	53	-1.0	-44.82	434.11	3.66	-41.16
COC1=CC=CC(C)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168202	0	40	-1.0	-52.38	349.98	3.82	-48.56
COC1=CC=CC(C)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168202	1	40	-1.0	-52.39	350.04	3.83	-48.56
CSCC[C@H](NC(=O)C1(C)CCC(F)(F)C1)C1=N[N-]N=N1	REAL300020168203	0	39	-1.0	-44.09	335.07	4.30	-39.79
CSCC[C@H](NC(=O)C1(C)CCC(F)(F)C1)C1=NN=N[N-]1	REAL300020168203	1	39	-1.0	-44.06	335.13	4.31	-39.75
C#CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC=CCC1	REAL300020168204	0	42	-1.0	-49.85	355.96	5.71	-44.14
C#CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC=CCC1	REAL300020168204	1	42	-1.0	-49.87	356.02	5.72	-44.15
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1C(C)C)C1=N[N-]N=N1	REAL300020168205	0	42	-1.0	-44.36	366.40	6.47	-37.89
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1C(C)C)C1=NN=N[N-]1	REAL300020168205	1	42	-1.0	-44.36	366.45	6.48	-37.88
CSCC[C@H](NC(=O)C1(C2=CC=CS2)CC1)C1=N[N-]N=N1	REAL300020168206	0	37	-1.0	-44.54	341.85	5.02	-39.52
CSCC[C@H](NC(=O)C1(C2=CC=CS2)CC1)C1=NN=N[N-]1	REAL300020168206	1	37	-1.0	-44.54	341.91	5.03	-39.51
CCC(C)(COCC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168207	0	52	-1.0	-45.71	429.88	6.72	-38.99
CCC(C)(COCC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168207	1	52	-1.0	-45.65	429.94	6.73	-38.92
C=C(F)C1(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCC1	REAL300020168208	0	40	-1.0	-47.27	338.30	4.62	-42.65
C=C(F)C1(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCC1	REAL300020168208	1	40	-1.0	-47.29	338.36	4.64	-42.65
CSCC[C@H](NC(=O)C1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL300020168209	0	34	-1.0	-48.80	322.86	4.55	-44.25
CSCC[C@H](NC(=O)C1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL300020168209	1	34	-1.0	-48.79	322.92	4.56	-44.23
CSCC[C@H](NC(=O)C1=NN2CC(C)NC(=O)C2=C1)C1=NN=N[N-]1	REAL300020168210	0	41	-1.0	-55.09	362.01	0.21	-54.88
CSCC[C@H](NC(=O)C1=NN2CC(C)NC(=O)C2=C1)C1=N[N-]N=N1	REAL300020168210	1	41	-1.0	-55.03	361.95	0.19	-54.84
CSCC[C@H](NC(=O)C1=CC=NC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020168211	0	36	-1.0	-52.33	329.73	-0.82	-53.15
CSCC[C@H](NC(=O)C1=CC=NC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020168211	1	36	-1.0	-52.31	329.67	-0.84	-53.15
CSCC[C@H](NC(=O)C(CCC1=CC=CC=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168212	0	52	-1.0	-50.67	441.23	9.73	-40.94
CSCC[C@H](NC(=O)C(CCC1=CC=CC=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168212	1	52	-1.0	-50.61	441.29	9.74	-40.87
CSCC[C@H](NC(=O)C1(C2CCOCC2)CC1)C1=N[N-]N=N1	REAL300020168213	0	44	-1.0	-49.01	357.90	4.00	-45.01
CSCC[C@H](NC(=O)C1(C2CCOCC2)CC1)C1=NN=N[N-]1	REAL300020168213	1	44	-1.0	-49.01	357.96	4.03	-44.98
CSCC[C@H](NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300020168214	0	51	0.0	-68.02	411.81	5.71	-62.31
CSCC[C@H](NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300020168214	1	51	0.0	-64.13	410.51	5.80	-58.33
CSCC[C@H](NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300020168214	1	51	0.0	-68.03	411.75	5.70	-62.33
CSCC[C@H](NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300020168214	1	51	0.0	-64.10	410.45	5.78	-58.32
CSCC[C@H](NC(=O)C1(C)CC2CCC(C1)S2)C1=N[N-]N=N1	REAL300020168215	0	44	-1.0	-52.84	352.25	5.37	-47.47
CSCC[C@H](NC(=O)C1(C)CC2CCC(C1)S2)C1=NN=N[N-]1	REAL300020168215	1	44	-1.0	-52.81	352.31	5.38	-47.43
CSCC[C@H](NC(=O)C1(C)CC2CCC(C1)S2(=O)=O)C1=N[N-]N=N1	REAL300020168216	0	46	-1.0	-63.36	369.33	1.76	-61.60
CSCC[C@H](NC(=O)C1(C)CC2CCC(C1)S2(=O)=O)C1=NN=N[N-]1	REAL300020168216	1	46	-1.0	-63.37	369.38	1.77	-61.60
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300020168217	0	37	-1.0	-42.53	335.65	2.18	-40.35
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300020168217	1	37	-1.0	-42.53	335.71	2.20	-40.33
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C=CS2(=O)=O)C1=N[N-]N=N1	REAL300020168218	0	38	-1.0	-49.65	353.46	1.74	-47.91
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C=CS2(=O)=O)C1=NN=N[N-]1	REAL300020168218	1	38	-1.0	-49.67	353.52	1.75	-47.92
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1Cl	REAL300020168219	0	39	-1.0	-41.88	366.89	4.46	-37.42
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL300020168219	1	39	-1.0	-41.84	366.95	4.48	-37.36
CSCC[C@H](NC(=O)CC(C(F)F)N1C=CN=C1)C1=N[N-]N=N1	REAL300020168220	0	39	-1.0	-44.69	348.96	4.68	-40.01
CSCC[C@H](NC(=O)CC(C(F)F)N1C=CN=C1)C1=NN=N[N-]1	REAL300020168220	1	39	-1.0	-44.70	349.02	4.70	-40.00
CSCC[C@H](NC(=O)C1=CC=C2N=C(C3CCCO3)OC2=C1)C1=N[N-]N=N1	REAL300020168221	0	46	-1.0	-49.03	397.99	2.01	-47.02
CSCC[C@H](NC(=O)C1=CC=C2N=C(C3CCCO3)OC2=C1)C1=NN=N[N-]1	REAL300020168221	1	46	-1.0	-49.01	398.05	2.02	-46.99
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300020168222	0	39	-1.0	-47.38	370.78	5.00	-42.38
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300020168222	1	39	-1.0	-47.33	370.72	4.99	-42.34
CSCC[C@H](NC(=O)C(O)CC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020168223	0	40	-1.0	-42.80	386.71	4.48	-38.32
CSCC[C@H](NC(=O)C(O)CC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020168223	1	40	-1.0	-42.80	386.76	4.49	-38.31
CSCC[C@H](NC(=O)C(O)C1=CC=CC2=C1OCC2)C1=N[N-]N=N1	REAL300020168224	0	42	-1.0	-48.15	361.65	2.94	-45.21
CSCC[C@H](NC(=O)C(O)C1=CC=CC2=C1OCC2)C1=NN=N[N-]1	REAL300020168224	1	42	-1.0	-48.13	361.70	2.96	-45.17
CSCC[C@H](NC(=O)CC(O)C1CCCC1)C1=N[N-]N=N1	REAL300020168225	0	43	-1.0	-48.46	357.21	2.71	-45.75
CSCC[C@H](NC(=O)CC(O)C1CCCC1)C1=NN=N[N-]1	REAL300020168225	1	43	-1.0	-48.46	357.26	2.73	-45.73
CSCC[C@H](NC(=O)C1=CC(C(N)=O)=CC=N1)C1=NN=N[N-]1	REAL300020168226	0	36	-1.0	-57.05	329.72	-0.84	-57.89
CSCC[C@H](NC(=O)C1=CC(C(N)=O)=CC=N1)C1=N[N-]N=N1	REAL300020168226	1	36	-1.0	-57.09	329.67	-0.86	-57.95
CSCC[C@H](NC(=O)C1=CC=C(F)C2=CC=CN=C12)C1=NN=N[N-]1	REAL300020168227	0	38	-1.0	-52.54	342.28	4.97	-47.57
CSCC[C@H](NC(=O)C1=CC=C(F)C2=CC=CN=C12)C1=N[N-]N=N1	REAL300020168227	1	38	-1.0	-52.56	342.22	4.95	-47.61
CSCC[C@H](NC(=O)C1=NN(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020168228	0	36	-1.0	-53.93	342.50	3.24	-50.69
CSCC[C@H](NC(=O)C1=NN(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020168228	1	36	-1.0	-53.92	342.44	3.23	-50.69
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL300020168229	0	44	-1.0	-47.62	389.32	5.69	-41.93
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL300020168229	1	44	-1.0	-47.60	389.38	5.70	-41.90
CSCC[C@H](NC(=O)C1=NN2C=CC=C(Br)C2=C1)C1=NN=N[N-]1	REAL300020168230	0	36	-1.0	-51.20	349.89	4.37	-46.83
CSCC[C@H](NC(=O)C1=NN2C=CC=C(Br)C2=C1)C1=N[N-]N=N1	REAL300020168230	1	36	-1.0	-51.20	349.83	4.36	-46.84
CSCC[C@H](NC(=O)COC1(C)CCCC1)C1=N[N-]N=N1	REAL300020168231	0	43	-1.0	-48.83	355.75	4.54	-44.29
CSCC[C@H](NC(=O)COC1(C)CCCC1)C1=NN=N[N-]1	REAL300020168231	1	43	-1.0	-48.82	355.80	4.56	-44.26
CSCC[C@H](NC(=O)C1=NC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020168232	0	32	-1.0	-43.56	324.10	3.39	-40.17
CSCC[C@H](NC(=O)C1=NC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020168232	1	32	-1.0	-43.55	324.04	3.37	-40.18
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL300020168233	0	38	-1.0	-50.00	341.00	4.67	-45.33
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL300020168233	1	38	-1.0	-49.94	340.95	4.65	-45.29
CSCC[C@H](NC(=O)CCC1CC(F)(F)C1)C1=N[N-]N=N1	REAL300020168234	0	39	-1.0	-45.86	345.08	4.79	-41.07
CSCC[C@H](NC(=O)CCC1CC(F)(F)C1)C1=NN=N[N-]1	REAL300020168234	1	39	-1.0	-45.84	345.13	4.81	-41.03
CSCC[C@H](NC(=O)C1COC2=CC(Cl)=CC=C2C1)C1=N[N-]N=N1	REAL300020168235	0	41	-1.0	-42.78	368.84	5.13	-37.65
CSCC[C@H](NC(=O)C1COC2=CC(Cl)=CC=C2C1)C1=NN=N[N-]1	REAL300020168235	1	41	-1.0	-42.77	368.89	5.15	-37.62
CSCC[C@H](NC(=O)C1=CC=C(C)C(F)=N1)C1=NN=N[N-]1	REAL300020168236	0	35	-1.0	-46.11	321.58	2.94	-43.17
CSCC[C@H](NC(=O)C1=CC=C(C)C(F)=N1)C1=N[N-]N=N1	REAL300020168236	1	35	-1.0	-46.09	321.52	2.93	-43.16
CSCC[C@H](NC(=O)C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1)C1=NN=N[N-]1	REAL300020168237	0	40	-1.0	-47.63	377.95	5.43	-42.20
CSCC[C@H](NC(=O)C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1)C1=N[N-]N=N1	REAL300020168237	1	40	-1.0	-47.67	377.89	5.42	-42.25
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=C(Cl)C=C2)S1)C1=NN=N[N-]1	REAL300020168238	0	39	-1.0	-44.36	381.10	5.54	-38.82
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=C(Cl)C=C2)S1)C1=N[N-]N=N1	REAL300020168238	1	39	-1.0	-44.39	381.05	5.52	-38.87
CSCC[C@H](NC(=O)COC1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL300020168239	0	36	-1.0	-46.62	335.05	2.16	-44.46
CSCC[C@H](NC(=O)COC1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL300020168239	1	36	-1.0	-46.65	334.99	2.15	-44.50
CSCC[C@H](NC(=O)CC1COCC(C)(C)O1)C1=N[N-]N=N1	REAL300020168240	0	44	-1.0	-50.81	364.56	3.04	-47.77
CSCC[C@H](NC(=O)CC1COCC(C)(C)O1)C1=NN=N[N-]1	REAL300020168240	1	44	-1.0	-50.81	364.62	3.05	-47.76
CSCC[C@H](NC(=O)C1CCOC(C)(C)C1)C1=N[N-]N=N1	REAL300020168241	0	43	-1.0	-47.58	349.14	3.08	-44.50
CSCC[C@H](NC(=O)C1CCOC(C)(C)C1)C1=NN=N[N-]1	REAL300020168241	1	43	-1.0	-47.60	349.20	3.09	-44.51
CSCC[C@H](NC(=O)C1CC(C2=CN(C)N=C2)=NO1)C1=NN=N[N-]1	REAL300020168242	0	41	-1.0	-55.57	370.27	3.27	-52.30
CSCC[C@H](NC(=O)C1CC(C2=CN(C)N=C2)=NO1)C1=N[N-]N=N1	REAL300020168242	1	41	-1.0	-55.55	370.21	3.25	-52.30
CSCC[C@H](NC(=O)CCCCC(F)(F)F)C1=N[N-]N=N1	REAL300020168243	0	38	-1.0	-45.16	344.77	4.49	-40.67
CSCC[C@H](NC(=O)CCCCC(F)(F)F)C1=NN=N[N-]1	REAL300020168243	1	38	-1.0	-45.20	344.83	4.51	-40.69
CSCC[C@H](NC(=O)[C@H]1C[C@@H](OC(F)F)C1)C1=N[N-]N=N1	REAL300020168244	0	37	-1.0	-48.50	334.38	2.40	-46.10
CSCC[C@H](NC(=O)[C@H]1C[C@@H](OC(F)F)C1)C1=NN=N[N-]1	REAL300020168244	1	37	-1.0	-48.50	334.44	2.42	-46.08
CSCC[C@H](NC(=O)C(F)(F)C1=CC=NN1C)C1=NN=N[N-]1	REAL300020168245	0	36	-1.0	-43.64	332.43	2.37	-41.27
CSCC[C@H](NC(=O)C(F)(F)C1=CC=NN1C)C1=N[N-]N=N1	REAL300020168245	1	36	-1.0	-43.68	332.37	2.35	-41.33
COC1=CC=C(C(F)(F)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020168246	0	39	-1.0	-42.53	358.99	1.55	-40.98
COC1=CC=C(C(F)(F)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020168246	1	39	-1.0	-42.50	358.93	1.54	-40.96
CSCC[C@H](NC(=O)C(F)(F)C1=CSC=N1)C1=NN=N[N-]1	REAL300020168247	0	32	-1.0	-46.57	315.72	2.54	-44.03
CSCC[C@H](NC(=O)C(F)(F)C1=CSC=N1)C1=N[N-]N=N1	REAL300020168247	1	32	-1.0	-46.55	315.67	2.52	-44.03
CSCC[C@H](NC(=O)C1=CC=CC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300020168248	0	44	-1.0	-47.49	374.06	4.96	-42.53
CSCC[C@H](NC(=O)C1=CC=CC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300020168248	1	44	-1.0	-47.57	374.01	4.95	-42.62
COC1=CC=CC=C1C1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020168249	0	43	-1.0	-49.44	391.63	4.74	-44.70
COC1=CC=CC=C1C1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020168249	1	43	-1.0	-49.40	391.57	4.73	-44.67
CSCC[C@H](NC(=O)[C@]12CCCC[C@H]1[C@@H]2Br)C1=N[N-]N=N1	REAL300020168250	0	40	-1.0	-45.64	349.80	5.43	-40.21
CSCC[C@H](NC(=O)[C@]12CCCC[C@H]1[C@@H]2Br)C1=NN=N[N-]1	REAL300020168250	1	40	-1.0	-45.60	349.85	5.44	-40.16
CSCC[C@H](NC(=O)C1=C2N(CCNS2(=O)=O)N=C1)C1=NN=N[N-]1	REAL300020168251	0	39	-1.0	-61.79	355.23	-2.45	-64.24
CSCC[C@H](NC(=O)C1=C2N(CCNS2(=O)=O)N=C1)C1=N[N-]N=N1	REAL300020168251	1	39	-1.0	-61.82	355.17	-2.47	-64.29
CSCC[C@H](NC(=O)C1=CC=NN1C(C)(C)C)C1=NN=N[N-]1	REAL300020168252	0	42	-1.0	-43.60	348.67	3.68	-39.92
CSCC[C@H](NC(=O)C1=CC=NN1C(C)(C)C)C1=N[N-]N=N1	REAL300020168252	1	42	-1.0	-43.58	348.61	3.67	-39.91
CSCC[C@H](NC(=O)[C@@H]1CCC[C@H]1C1CC1)C1=N[N-]N=N1	REAL300020168253	0	43	-1.0	-46.75	353.24	5.67	-41.08
CSCC[C@H](NC(=O)[C@@H]1CCC[C@H]1C1CC1)C1=NN=N[N-]1	REAL300020168253	1	43	-1.0	-46.75	353.30	5.69	-41.06
CSCC[C@H](NC(=O)CC1CCCC2=C1N=C(C)O2)C1=N[N-]N=N1	REAL300020168254	0	45	-1.0	-52.13	376.38	3.55	-48.58
CSCC[C@H](NC(=O)CC1CCCC2=C1N=C(C)O2)C1=NN=N[N-]1	REAL300020168254	1	45	-1.0	-52.12	376.44	3.56	-48.56
CSCC[C@H](NC(=O)CNC(=O)C1=C2C=CNC2=CC=C1)C1=N[N-]N=N1	REAL300020168255	0	44	-1.0	-50.10	385.60	2.59	-47.51
CSCC[C@H](NC(=O)CNC(=O)C1=C2C=CNC2=CC=C1)C1=NN=N[N-]1	REAL300020168255	1	44	-1.0	-50.11	385.65	2.60	-47.51
CCCCCC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168256	0	51	-1.0	-47.08	429.54	8.53	-38.55
CCCCCC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168256	1	51	-1.0	-47.09	429.60	8.55	-38.54
CSCC[C@H](NC(=O)C1COC2=C(F)C=C(F)C=C2C1)C1=N[N-]N=N1	REAL300020168257	0	41	-1.0	-43.09	364.60	4.76	-38.33
CSCC[C@H](NC(=O)C1COC2=C(F)C=C(F)C=C2C1)C1=NN=N[N-]1	REAL300020168257	1	41	-1.0	-43.17	364.65	4.77	-38.40
COC(=O)[C@H]1C[C@@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020168258	0	39	-1.0	-54.45	343.70	3.71	-50.74
COC(=O)[C@H]1C[C@@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020168258	1	39	-1.0	-54.40	343.76	3.73	-50.67
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168259	0	48	-1.0	-53.46	405.95	6.31	-47.15
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168259	1	48	-1.0	-53.48	406.01	6.32	-47.16
CCCCC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020168260	0	41	-1.0	-44.97	370.36	4.27	-40.70
CCCCC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020168260	1	41	-1.0	-44.98	370.42	4.28	-40.70
CSCC[C@H](NC(=O)C1=CN=C(COC(C)(C)C)S1)C1=N[N-]N=N1	REAL300020168261	0	45	-1.0	-46.15	396.45	3.10	-43.05
CSCC[C@H](NC(=O)C1=CN=C(COC(C)(C)C)S1)C1=NN=N[N-]1	REAL300020168261	1	45	-1.0	-46.16	396.51	3.12	-43.04
CCC1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020168262	0	35	-1.0	-46.77	328.21	2.55	-44.22
CCC1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020168262	1	35	-1.0	-46.75	328.26	2.56	-44.19
CSCC[C@H](NC(=O)C1=NNC=C1C1CC1)C1=N[N-]N=N1	REAL300020168263	0	37	-1.0	-50.30	328.65	2.66	-47.64
CSCC[C@H](NC(=O)C1=NNC=C1C1CC1)C1=NN=N[N-]1	REAL300020168263	1	37	-1.0	-50.25	328.71	2.67	-47.58
CSCC[C@H](NC(=O)C1=CC2=CC=C([N+](=O)[O-])C(C)=C2N1)C1=N[N-]N=N1	REAL300020168264	0	42	-1.0	-43.91	377.34	5.31	-38.60
CSCC[C@H](NC(=O)C1=CC2=CC=C([N+](=O)[O-])C(C)=C2N1)C1=NN=N[N-]1	REAL300020168264	1	42	-1.0	-43.93	377.40	5.33	-38.60
COC1=CC(F)=CC(N2C=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=N2)=C1	REAL300020168265	0	44	-1.0	-49.03	394.86	4.62	-44.41
COC1=CC(F)=CC(N2C=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=N2)=C1	REAL300020168265	1	44	-1.0	-49.03	394.80	4.60	-44.43
CSCC[C@H](NC(=O)C1CCC2CC2CC1)C1=N[N-]N=N1	REAL300020168266	0	43	-1.0	-44.68	346.70	5.57	-39.11
CSCC[C@H](NC(=O)C1CCC2CC2CC1)C1=NN=N[N-]1	REAL300020168266	1	43	-1.0	-44.69	346.75	5.58	-39.11
CSCC[C@H](NC(=O)CC1CCC=CCC1)C1=N[N-]N=N1	REAL300020168267	0	43	-1.0	-45.85	348.12	5.45	-40.40
CSCC[C@H](NC(=O)CC1CCC=CCC1)C1=NN=N[N-]1	REAL300020168267	1	43	-1.0	-45.85	348.17	5.47	-40.38
CSCC[C@H](NC(=O)[C@H]1CSCN1C(C)=O)C1=N[N-]N=N1	REAL300020168268	0	38	-1.0	-59.17	339.70	3.56	-55.61
CSCC[C@H](NC(=O)[C@H]1CSCN1C(C)=O)C1=NN=N[N-]1	REAL300020168268	1	38	-1.0	-59.24	339.76	3.58	-55.66
CSCC[C@H](NC(=O)C1=CCCC(C)(C)C1)C1=N[N-]N=N1	REAL300020168269	0	43	-1.0	-45.61	349.39	5.27	-40.34
CSCC[C@H](NC(=O)C1=CCCC(C)(C)C1)C1=NN=N[N-]1	REAL300020168269	1	43	-1.0	-45.59	349.45	5.28	-40.31
COCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCCO1	REAL300020168270	0	44	-1.0	-45.23	361.43	2.37	-42.86
COCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCCO1	REAL300020168270	1	44	-1.0	-45.25	361.49	2.37	-42.88
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020168271	0	39	-1.0	-48.58	349.06	5.43	-43.15
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020168271	1	39	-1.0	-48.63	349.12	5.44	-43.19
CSCC[C@H](NC(=O)[C@]12CCO[C@@H]1CCCCC2)C1=N[N-]N=N1	REAL300020168272	0	47	-1.0	-49.05	341.48	3.62	-45.43
CSCC[C@H](NC(=O)[C@]12CCO[C@@H]1CCCCC2)C1=NN=N[N-]1	REAL300020168272	1	47	-1.0	-48.99	341.54	3.64	-45.35
CSCC[C@H](NC(=O)C1=CC2=C(N(C)C)C=CC=C2S1)C1=N[N-]N=N1	REAL300020168273	0	44	-1.0	-48.24	390.95	4.98	-43.26
CSCC[C@H](NC(=O)C1=CC2=C(N(C)C)C=CC=C2S1)C1=NN=N[N-]1	REAL300020168273	1	44	-1.0	-48.25	391.01	5.00	-43.25
CSCC[C@H](NC(=O)C1C2CC1(C1=CC=NC=C1)CC2)C1=N[N-]N=N1	REAL300020168274	0	46	-1.0	-48.61	378.53	5.82	-42.79
CSCC[C@H](NC(=O)C1C2CC1(C1=CC=NC=C1)CC2)C1=NN=N[N-]1	REAL300020168274	1	46	-1.0	-48.57	378.59	5.84	-42.73
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020168275	0	40	-1.0	-48.08	362.00	6.20	-41.88
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020168275	1	40	-1.0	-48.10	362.06	6.22	-41.88
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=N1	REAL300020168276	0	36	-1.0	-46.64	337.36	1.28	-45.36
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=N1	REAL300020168276	1	36	-1.0	-46.68	337.30	1.27	-45.41
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC(C)(C)C1)C1=N[N-]N=N1	REAL300020168277	0	56	-1.0	-50.73	446.75	3.48	-47.25
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC(C)(C)C1)C1=NN=N[N-]1	REAL300020168277	1	56	-1.0	-50.73	446.79	3.49	-47.24
CCC1=NC2=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=CNC2=N1	REAL300020168278	0	41	-1.0	-69.43	360.37	3.83	-65.60
CCC1=NC2=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=CNC2=N1	REAL300020168278	1	41	-1.0	-69.45	360.42	3.84	-65.61
CSCC[C@H](NC(=O)C1=C2N=C(CC3CC3)N=C2NC=C1)C1=N[N-]N=N1	REAL300020168279	0	45	-1.0	-69.76	391.25	5.44	-64.32
CSCC[C@H](NC(=O)C1=C2N=C(CC3CC3)N=C2NC=C1)C1=NN=N[N-]1	REAL300020168279	1	45	-1.0	-69.78	391.30	5.45	-64.33
CSCC[C@H](NC(=O)C(O)C1CCCCCCC1)C1=N[N-]N=N1	REAL300020168280	0	49	-1.0	-44.19	372.02	3.75	-40.44
CSCC[C@H](NC(=O)C(O)C1CCCCCCC1)C1=NN=N[N-]1	REAL300020168280	1	49	-1.0	-44.16	372.08	3.77	-40.39
CSCC[C@H](NC(=O)C1=C(Cl)OC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020168281	0	35	-1.0	-50.31	352.50	-2.35	-52.66
CSCC[C@H](NC(=O)C1=C(Cl)OC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020168281	1	35	-1.0	-50.37	352.56	-2.33	-52.70
CSCC[C@H](NC(=O)C1=CC(C)=NC2=C1CCCC2)C1=N[N-]N=N1	REAL300020168282	0	45	-1.0	-45.11	371.56	5.38	-39.73
CSCC[C@H](NC(=O)C1=CC(C)=NC2=C1CCCC2)C1=NN=N[N-]1	REAL300020168282	1	45	-1.0	-45.14	371.61	5.39	-39.75
CC[C@H](CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020168283	0	52	-1.0	-52.69	421.85	3.35	-49.34
CC[C@H](CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020168283	1	52	-1.0	-52.73	421.90	3.36	-49.37
CC[C@@H](CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020168284	0	52	-1.0	-50.76	421.81	3.35	-47.41
CC[C@@H](CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020168284	1	52	-1.0	-50.76	421.87	3.36	-47.40
CSCC[C@H](NC(=O)C1CCN(CC2=CC=CC=C2)C1=O)C1=N[N-]N=N1	REAL300020168285	0	47	-1.0	-46.09	406.44	5.69	-40.40
CSCC[C@H](NC(=O)C1CCN(CC2=CC=CC=C2)C1=O)C1=NN=N[N-]1	REAL300020168285	1	47	-1.0	-46.14	406.49	5.70	-40.44
CSCC[C@H](NC(=O)C1=NN(C2=CC(F)=CC=C2F)C=C1)C1=NN=N[N-]1	REAL300020168286	0	40	-1.0	-48.69	368.72	5.29	-43.40
CSCC[C@H](NC(=O)C1=NN(C2=CC(F)=CC=C2F)C=C1)C1=N[N-]N=N1	REAL300020168286	1	40	-1.0	-48.76	368.66	5.28	-43.48
CSCC[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1=N[N-]N=N1	REAL300020168287	0	37	-1.0	-50.47	340.63	-3.25	-53.72
CSCC[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1=NN=N[N-]1	REAL300020168287	1	37	-1.0	-50.53	340.69	-3.23	-53.76
CSCC[C@H](NC(=O)C=CC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020168288	0	36	-1.0	-46.92	326.95	3.51	-43.41
CSCC[C@H](NC(=O)C=CC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020168288	1	36	-1.0	-46.94	327.00	3.53	-43.41
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020168289	0	47	-1.0	-47.18	400.65	3.56	-43.62
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020168289	1	47	-1.0	-47.15	400.59	3.55	-43.60
CSCC[C@H](NC(=O)C1CCC(O)(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020168290	0	47	-1.0	-47.62	390.21	3.95	-43.67
CSCC[C@H](NC(=O)C1CCC(O)(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020168290	1	47	-1.0	-47.63	390.26	3.96	-43.67
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020168291	0	51	-1.0	-46.82	434.25	2.66	-44.16
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020168291	1	51	-1.0	-46.81	434.19	2.64	-44.17
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020168292	0	44	-1.0	-47.32	379.05	2.73	-44.59
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020168292	1	44	-1.0	-47.30	379.00	2.72	-44.58
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=C(C)N(C)N=C1)C1=N[N-]N=N1	REAL300020168293	0	47	-1.0	-46.76	395.43	3.15	-43.61
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=C(C)N(C)N=C1)C1=NN=N[N-]1	REAL300020168293	1	47	-1.0	-46.73	395.49	3.17	-43.56
CSCC[C@H](NC(=O)[C@@H]1CCCO[C@H]1C1=CC=NN1C(C)C)C1=N[N-]N=N1	REAL300020168294	0	53	-1.0	-46.31	428.21	5.07	-41.24
CSCC[C@H](NC(=O)[C@@H]1CCCO[C@H]1C1=CC=NN1C(C)C)C1=NN=N[N-]1	REAL300020168294	1	53	-1.0	-46.36	428.26	5.09	-41.27
CSCC[C@H](NC(=O)[C@@H]1CCCO[C@H]1C1=CC=NN1C)C1=N[N-]N=N1	REAL300020168295	0	47	-1.0	-45.62	384.16	3.56	-42.06
CSCC[C@H](NC(=O)[C@@H]1CCCO[C@H]1C1=CC=NN1C)C1=NN=N[N-]1	REAL300020168295	1	47	-1.0	-45.57	384.22	3.58	-41.99
CSCC[C@H](NC(=O)C1=NN(C)C(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300020168296	0	43	-1.0	-49.36	382.57	5.16	-44.20
CSCC[C@H](NC(=O)C1=NN(C)C(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300020168296	1	43	-1.0	-49.37	382.52	5.15	-44.22
CSCC[C@H](NC(=O)C1CC(=O)N(CC2=CC=CC=C2F)C1)C1=N[N-]N=N1	REAL300020168297	0	47	-1.0	-50.00	409.06	5.56	-44.44
CSCC[C@H](NC(=O)C1CC(=O)N(CC2=CC=CC=C2F)C1)C1=NN=N[N-]1	REAL300020168297	1	47	-1.0	-50.00	409.12	5.58	-44.42
CSCC[C@H](NC(=O)C1CC12C(=O)NC1=CC=CC=C12)C1=N[N-]N=N1	REAL300020168298	0	42	-1.0	-43.27	369.70	3.57	-39.70
CSCC[C@H](NC(=O)C1CC12C(=O)NC1=CC=CC=C12)C1=NN=N[N-]1	REAL300020168298	1	42	-1.0	-43.29	369.76	3.58	-39.71
COC1=CC=C(N2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N=N2)C=C1	REAL300020168299	0	43	-1.0	-46.56	384.36	3.09	-43.47
COC1=CC=C(N2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N=N2)C=C1	REAL300020168299	1	43	-1.0	-46.55	384.31	3.08	-43.47
CSCC[C@H](NC(=O)C1=C(C(C)C)OC(C(C)C)=C1)C1=N[N-]N=N1	REAL300020168300	0	48	-1.0	-45.74	404.84	6.51	-39.23
CSCC[C@H](NC(=O)C1=C(C(C)C)OC(C(C)C)=C1)C1=NN=N[N-]1	REAL300020168300	1	48	-1.0	-45.72	404.90	6.52	-39.20
COC1=CC=C(C=C(C#N)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020168301	0	46	-1.0	-45.32	407.34	4.61	-40.71
COC1=CC=C(C=C(C#N)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020168301	1	46	-1.0	-45.36	407.40	4.62	-40.74
CSCC[C@H](NC(=O)CN1N=NN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168302	0	41	-1.0	-48.87	365.79	3.66	-45.21
CSCC[C@H](NC(=O)CN1N=NN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168302	1	41	-1.0	-48.88	365.85	3.67	-45.21
CSCC[C@H](NC(=O)C1=CC=C(C2CC2)O1)C1=N[N-]N=N1	REAL300020168303	0	37	-1.0	-45.53	335.18	4.52	-41.01
CSCC[C@H](NC(=O)C1=CC=C(C2CC2)O1)C1=NN=N[N-]1	REAL300020168303	1	37	-1.0	-45.51	335.23	4.54	-40.97
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL300020168304	0	40	-1.0	-49.17	362.76	3.53	-45.64
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL300020168304	1	40	-1.0	-49.16	362.82	3.55	-45.61
COC(=O)C1=CC2=C(C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)O2)N1	REAL300020168305	0	40	-1.0	-44.92	369.84	2.77	-42.15
COC(=O)C1=CC2=C(C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)O2)N1	REAL300020168305	1	40	-1.0	-44.89	369.90	2.78	-42.11
COC(=O)C1=CC2=C(C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)O2)[N-]1	REAL300020168305	1	39	-2.0	-88.52	366.42	2.34	-86.18
COC(=O)C1=CC2=C(C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)O2)[N-]1	REAL300020168305	1	39	-2.0	-88.55	366.48	2.36	-86.19
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020168306	0	43	-1.0	-48.60	368.41	4.54	-44.06
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020168306	1	43	-1.0	-48.58	368.47	4.56	-44.02
CSCC[C@H](NC(=O)C1=NN(C)C(C(F)F)=C1)C1=N[N-]N=N1	REAL300020168307	0	36	-1.0	-49.19	332.33	2.53	-46.66
CSCC[C@H](NC(=O)C1=NN(C)C(C(F)F)=C1)C1=NN=N[N-]1	REAL300020168307	1	36	-1.0	-49.18	332.39	2.54	-46.64
CSCC[C@H](NC(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020168308	0	42	-1.0	-55.83	378.29	6.78	-49.05
CSCC[C@H](NC(=O)C1CC1C1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020168308	1	42	-1.0	-55.82	378.35	6.80	-49.02
CSCC[C@H](NC(=O)C1=CC=C(F)C(C(F)F)=C1)C1=N[N-]N=N1	REAL300020168309	0	36	-1.0	-47.11	336.69	5.05	-42.06
CSCC[C@H](NC(=O)C1=CC=C(F)C(C(F)F)=C1)C1=NN=N[N-]1	REAL300020168309	1	36	-1.0	-47.13	336.75	5.07	-42.06
CSCC[C@H](NC(=O)CCC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020168310	0	45	-1.0	-52.60	404.25	3.09	-49.51
CSCC[C@H](NC(=O)CCC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020168310	1	45	-1.0	-52.59	404.31	3.11	-49.48
CSCC[C@H](NC(=O)C1=CN=C(CC(C)C)S1)C1=N[N-]N=N1	REAL300020168311	0	41	-1.0	-45.16	365.57	3.96	-41.20
CSCC[C@H](NC(=O)C1=CN=C(CC(C)C)S1)C1=NN=N[N-]1	REAL300020168311	1	41	-1.0	-45.15	365.62	3.97	-41.18
CSCC[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168312	0	48	-1.0	-50.93	389.19	6.01	-44.92
CSCC[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168312	1	48	-1.0	-50.94	389.25	6.01	-44.93
CSCC[C@H](NC(=O)C1=CN=C2CCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300020168313	0	41	-1.0	-51.35	357.78	3.87	-47.48
CSCC[C@H](NC(=O)C1=CN=C2CCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300020168313	1	41	-1.0	-51.39	357.84	3.88	-47.51
CSCC[C@H](NC(=O)C1=CN=C2SCCN12)C1=NN=N[N-]1	REAL300020168314	0	35	-1.0	-48.50	322.79	3.25	-45.25
CSCC[C@H](NC(=O)C1=CN=C2SCCN12)C1=N[N-]N=N1	REAL300020168314	1	35	-1.0	-48.52	322.73	3.24	-45.28
CSCC[C@H](NC(=O)C1=C(S(N)(=O)=O)N(C)N=C1)C1=NN=N[N-]1	REAL300020168315	0	38	-1.0	-54.67	346.84	-2.00	-56.67
CSCC[C@H](NC(=O)C1=C(S(N)(=O)=O)N(C)N=C1)C1=N[N-]N=N1	REAL300020168315	1	38	-1.0	-54.67	346.78	-2.02	-56.69
CSCC[C@H](NC(=O)C1=CC=C(C(F)F)C(F)=C1)C1=N[N-]N=N1	REAL300020168316	0	36	-1.0	-42.95	336.70	5.03	-37.92
CSCC[C@H](NC(=O)C1=CC=C(C(F)F)C(F)=C1)C1=NN=N[N-]1	REAL300020168316	1	36	-1.0	-42.98	336.76	5.05	-37.93
CSCC[C@H](NC(=O)C1=CSC(C2CCCCC2)=C1)C1=N[N-]N=N1	REAL300020168317	0	46	-1.0	-46.50	393.65	7.07	-39.43
CSCC[C@H](NC(=O)C1=CSC(C2CCCCC2)=C1)C1=NN=N[N-]1	REAL300020168317	1	46	-1.0	-46.49	393.71	7.09	-39.40
CSCC[C@H](NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1=N[N-]N=N1	REAL300020168318	0	41	-1.0	-45.96	337.50	5.38	-40.58
CSCC[C@H](NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C1=NN=N[N-]1	REAL300020168318	1	41	-1.0	-45.93	337.55	5.39	-40.54
CSCC[C@H](NC(=O)C1=CN=C(CC(C)(C)C)S1)C1=N[N-]N=N1	REAL300020168319	0	44	-1.0	-45.17	382.28	4.53	-40.64
CSCC[C@H](NC(=O)C1=CN=C(CC(C)(C)C)S1)C1=NN=N[N-]1	REAL300020168319	1	44	-1.0	-45.14	382.34	4.54	-40.60
CSCC[C@H](NC(=O)C1CC2CC2CC1C)C1=N[N-]N=N1	REAL300020168320	0	43	-1.0	-45.21	343.91	5.38	-39.83
CSCC[C@H](NC(=O)C1CC2CC2CC1C)C1=NN=N[N-]1	REAL300020168320	1	43	-1.0	-45.23	343.97	5.40	-39.83
CCCC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168321	0	42	-1.0	-46.19	353.32	6.27	-39.92
CCCC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168321	1	42	-1.0	-46.19	353.38	6.29	-39.90
COC(=O)C1=CC=C(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168322	0	42	-1.0	-47.78	368.33	5.42	-42.36
COC(=O)C1=CC=C(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168322	1	42	-1.0	-47.83	368.39	5.44	-42.39
COC12CCC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)(CC1)CC2	REAL300020168323	0	47	-1.0	-45.48	368.40	3.87	-41.61
COC12CCC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)(CC1)CC2	REAL300020168323	1	47	-1.0	-45.52	368.45	3.89	-41.63
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=CC=NN1C(C)C)C1=N[N-]N=N1	REAL300020168324	0	50	-1.0	-44.52	417.60	4.07	-40.45
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=CC=NN1C(C)C)C1=NN=N[N-]1	REAL300020168324	1	50	-1.0	-44.53	417.65	4.08	-40.45
CSCC[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)C1=N[N-]N=N1	REAL300020168325	0	38	-1.0	-51.02	340.62	3.33	-47.69
CSCC[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)C1=NN=N[N-]1	REAL300020168325	1	38	-1.0	-51.01	340.68	3.34	-47.67
CSCC[C@H](NC(=O)C1=CNC2=CC(F)=C(F)C=C2C1=O)C1=N[N-]N=N1	REAL300020168326	0	39	-1.0	-55.05	359.30	4.33	-50.72
CSCC[C@H](NC(=O)C1=CNC2=CC(F)=C(F)C=C2C1=O)C1=NN=N[N-]1	REAL300020168326	1	39	-1.0	-55.03	359.36	4.34	-50.69
CSCC[C@H](NC(=O)C1=CN(C)C=CC1=O)C1=N[N-]N=N1	REAL300020168327	0	36	-1.0	-59.30	321.92	3.58	-55.72
CSCC[C@H](NC(=O)C1=CN(C)C=CC1=O)C1=NN=N[N-]1	REAL300020168327	1	36	-1.0	-59.28	321.97	3.59	-55.69
CSCC[C@H](NC(=O)C1=CC=C2SC=NC2=C1)C1=NN=N[N-]1	REAL300020168328	0	35	-1.0	-49.84	328.59	3.51	-46.33
CSCC[C@H](NC(=O)C1=CC=C2SC=NC2=C1)C1=N[N-]N=N1	REAL300020168328	1	35	-1.0	-49.82	328.53	3.48	-46.34
CSCC[C@H](NC(=O)CC1=NOC(C2CC2)=C1)C1=N[N-]N=N1	REAL300020168329	0	39	-1.0	-50.65	349.96	4.53	-46.12
CSCC[C@H](NC(=O)CC1=NOC(C2CC2)=C1)C1=NN=N[N-]1	REAL300020168329	1	39	-1.0	-50.65	350.02	4.55	-46.10
CSCC[C@H](NC(=O)C1=CC(F)=CC(Br)=C1F)C1=N[N-]N=N1	REAL300020168330	0	33	-1.0	-45.20	329.07	4.81	-40.39
CSCC[C@H](NC(=O)C1=CC(F)=CC(Br)=C1F)C1=NN=N[N-]1	REAL300020168330	1	33	-1.0	-45.23	329.13	4.83	-40.40
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168331	0	37	-1.0	-46.50	332.08	5.28	-41.22
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168331	1	37	-1.0	-46.54	332.13	5.29	-41.25
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020168332	0	37	-1.0	-48.64	346.32	5.70	-42.94
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020168332	1	37	-1.0	-48.68	346.38	5.71	-42.97
CSCC[C@H](NC(=O)C=CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020168333	0	37	-1.0	-46.87	338.48	5.34	-41.53
CSCC[C@H](NC(=O)C=CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020168333	1	37	-1.0	-46.91	338.54	5.36	-41.55
CSCC[C@H](NC(=O)C=CC1=CC=C(Br)O1)C1=N[N-]N=N1	REAL300020168334	0	34	-1.0	-44.66	336.38	4.21	-40.45
CSCC[C@H](NC(=O)C=CC1=CC=C(Br)O1)C1=NN=N[N-]1	REAL300020168334	1	34	-1.0	-44.66	336.43	4.22	-40.44
CSCC[C@H](NC(=O)C1=C(C)C(=O)N(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020168335	0	45	-1.0	-50.87	386.17	5.17	-45.70
CSCC[C@H](NC(=O)C1=C(C)C(=O)N(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020168335	1	45	-1.0	-50.90	386.22	5.19	-45.71
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300020168336	0	33	-2.0	-114.21	309.03	3.68	-110.53
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300020168336	1	33	-2.0	-114.16	309.08	3.70	-110.46
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1O)C1=N[N-]N=N1	REAL300020168336	1	34	-1.0	-50.28	312.59	2.68	-47.60
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1O)C1=NN=N[N-]1	REAL300020168336	1	34	-1.0	-50.26	312.65	2.70	-47.56
CSCC[C@H](NC(=O)CC=CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020168337	0	40	-1.0	-45.72	374.49	6.70	-39.02
CSCC[C@H](NC(=O)CC=CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020168337	1	40	-1.0	-45.75	374.55	6.72	-39.03
CSCC[C@H](NC(=O)CCC1=CC=C(SC)C=C1)C1=N[N-]N=N1	REAL300020168338	0	43	-1.0	-45.39	383.77	6.59	-38.80
CSCC[C@H](NC(=O)CCC1=CC=C(SC)C=C1)C1=NN=N[N-]1	REAL300020168338	1	43	-1.0	-45.40	383.83	6.61	-38.79
CSCC[C@H](NC(=O)CN1C(C)=NC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020168339	0	38	-1.0	-45.91	349.66	5.05	-40.86
CSCC[C@H](NC(=O)CN1C(C)=NC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020168339	1	38	-1.0	-45.89	349.72	5.07	-40.82
CSCC[C@H](NC(=O)C1=CC=C(P(C)(C)=O)C=C1)C1=N[N-]N=N1	REAL300020168340	0	42	-1.0	-52.74	377.54	3.65	-49.09
CSCC[C@H](NC(=O)C1=CC=C(P(C)(C)=O)C=C1)C1=NN=N[N-]1	REAL300020168340	1	42	-1.0	-52.79	377.60	3.67	-49.12
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300020168341	0	38	-1.0	-50.42	354.32	-0.29	-50.71
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300020168341	1	38	-1.0	-50.42	354.27	-0.30	-50.72
COC1=CC(C#N)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168342	0	38	-1.0	-49.00	345.62	5.03	-43.97
COC1=CC(C#N)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168342	1	38	-1.0	-49.01	345.68	5.04	-43.97
CSCC[C@H](NC(=O)C1=C(Cl)SC(C=O)=C1)C1=N[N-]N=N1	REAL300020168343	0	32	-1.0	-48.68	325.43	3.45	-45.23
CSCC[C@H](NC(=O)C1=C(Cl)SC(C=O)=C1)C1=NN=N[N-]1	REAL300020168343	1	32	-1.0	-48.71	325.48	3.47	-45.24
COC1=CC(=O)NC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168344	0	37	-1.0	-47.65	329.57	0.85	-46.80
COC1=CC(=O)NC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168344	1	37	-1.0	-47.66	329.62	0.87	-46.79
CSCC[C@H](NC(=O)C1=NN2CCCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300020168345	0	42	-1.0	-50.41	366.02	3.31	-47.10
CSCC[C@H](NC(=O)C1=NN2CCCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300020168345	1	42	-1.0	-50.40	366.08	3.33	-47.07
CSCC[C@H](NC(=O)C1=CC(N2C=CC=C2)=CC=C1Cl)C1=N[N-]N=N1	REAL300020168346	0	41	-1.0	-46.87	370.89	7.39	-39.48
CSCC[C@H](NC(=O)C1=CC(N2C=CC=C2)=CC=C1Cl)C1=NN=N[N-]1	REAL300020168346	1	41	-1.0	-46.89	370.95	7.40	-39.49
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C(F)=C2)C=C1)C1=NN=N[N-]1	REAL300020168347	0	40	-1.0	-51.44	371.67	5.37	-46.07
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C(F)=C2)C=C1)C1=N[N-]N=N1	REAL300020168347	1	40	-1.0	-51.43	371.61	5.36	-46.07
CSCC[C@H](NC(=O)C(=O)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020168348	0	38	-1.0	-42.04	339.47	4.58	-37.46
CSCC[C@H](NC(=O)C(=O)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020168348	1	38	-1.0	-42.08	339.53	4.60	-37.48
CCCCS(=O)(=O)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168349	0	41	-1.0	-61.64	368.14	1.24	-60.40
CCCCS(=O)(=O)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168349	1	41	-1.0	-61.65	368.20	1.26	-60.39
CSCC[C@H](NC(=O)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020168350	0	54	-1.0	-47.03	438.77	4.13	-42.90
CSCC[C@H](NC(=O)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020168350	1	54	-1.0	-47.04	438.83	4.15	-42.89
CSCC[C@H](NC(=O)COC1CCCCCC1)C1=N[N-]N=N1	REAL300020168351	0	46	-1.0	-47.63	370.83	5.21	-42.42
CSCC[C@H](NC(=O)COC1CCCCCC1)C1=NN=N[N-]1	REAL300020168351	1	46	-1.0	-47.67	370.89	5.22	-42.45
CSCC[C@H](NC(=O)C1=CC=CC2=C1CCCCC2)C1=N[N-]N=N1	REAL300020168352	0	46	-1.0	-46.93	369.87	6.91	-40.02
CSCC[C@H](NC(=O)C1=CC=CC2=C1CCCCC2)C1=NN=N[N-]1	REAL300020168352	1	46	-1.0	-46.96	369.93	6.92	-40.04
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300020168353	0	43	-1.0	-47.22	342.77	5.37	-41.85
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300020168353	1	43	-1.0	-47.22	342.82	5.39	-41.83
COC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCCCC1	REAL300020168354	0	46	-1.0	-43.87	356.65	4.17	-39.70
COC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCCCC1	REAL300020168354	1	46	-1.0	-43.84	356.70	4.19	-39.65
CSCC[C@H](NC(=O)C(C)(NC(C)=O)C(C)C)C1=N[N-]N=N1	REAL300020168355	0	45	-1.0	-42.73	361.56	2.23	-40.50
CSCC[C@H](NC(=O)C(C)(NC(C)=O)C(C)C)C1=NN=N[N-]1	REAL300020168355	1	45	-1.0	-42.74	361.62	2.24	-40.50
CSCC[C@H](NC(=O)C1=CC=CC=C1C1CCC1)C1=N[N-]N=N1	REAL300020168356	0	43	-1.0	-47.00	360.26	6.59	-40.41
CSCC[C@H](NC(=O)C1=CC=CC=C1C1CCC1)C1=NN=N[N-]1	REAL300020168356	1	43	-1.0	-46.98	360.32	6.61	-40.37
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C=CC=C1)C1=NN=N[N-]1	REAL300020168357	0	41	-1.0	-49.76	357.61	7.24	-42.52
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C=CC=C1)C1=N[N-]N=N1	REAL300020168357	1	41	-1.0	-49.73	357.55	7.23	-42.50
CCOC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL300020168358	0	46	-1.0	-55.93	397.46	6.40	-49.53
CCOC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL300020168358	1	46	-1.0	-55.90	397.41	6.38	-49.52
CSCC[C@H](NC(=O)C(C)(C)C(F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168359	0	45	-1.0	-49.34	375.44	6.40	-42.94
CSCC[C@H](NC(=O)C(C)(C)C(F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168359	1	45	-1.0	-49.33	375.50	6.41	-42.92
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168360	0	50	-1.0	-45.67	419.25	0.91	-44.76
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168360	1	50	-1.0	-45.65	419.30	0.92	-44.73
CSCC[C@H](NC(=O)C1=CC(F)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300020168361	0	33	-2.0	-104.53	315.43	3.74	-100.79
CSCC[C@H](NC(=O)C1=CC(F)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300020168361	1	33	-2.0	-104.51	315.48	3.76	-100.75
CSCC[C@H](NC(=O)C1=CC(F)=CC(F)=C1O)C1=N[N-]N=N1	REAL300020168361	1	34	-1.0	-43.52	318.99	2.74	-40.78
CSCC[C@H](NC(=O)C1=CC=C(C2(C)CC2)C=C1)C1=N[N-]N=N1	REAL300020168362	0	43	-1.0	-46.20	363.98	6.56	-39.64
CSCC[C@H](NC(=O)C1=CC=C(C2(C)CC2)C=C1)C1=NN=N[N-]1	REAL300020168362	1	43	-1.0	-46.19	364.03	6.58	-39.61
CSCC[C@H](NC(=O)C1=CC=C(CC(C)C)S1)C1=N[N-]N=N1	REAL300020168363	0	42	-1.0	-45.48	371.63	5.92	-39.56
CSCC[C@H](NC(=O)C1=CC=C(CC(C)C)S1)C1=NN=N[N-]1	REAL300020168363	1	42	-1.0	-45.52	371.69	5.94	-39.58
CSCC[C@H](NC(=O)CCC1=CC=C2OCCCC2=C1)C1=N[N-]N=N1	REAL300020168364	0	47	-1.0	-46.40	397.26	6.20	-40.20
CSCC[C@H](NC(=O)CCC1=CC=C2OCCCC2=C1)C1=NN=N[N-]1	REAL300020168364	1	47	-1.0	-46.41	397.32	6.21	-40.20
CSCC[C@H](NC(=O)C1=CC(C)=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168365	0	43	-1.0	-43.77	368.24	6.07	-37.70
CSCC[C@H](NC(=O)C1=CC(C)=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168365	1	43	-1.0	-43.78	368.31	6.09	-37.69
CSCC[C@H](NC(=O)C1=CC(C(=O)C2=CC=CC=C2)=CN1)C1=N[N-]N=N1	REAL300020168366	0	43	-1.0	-56.10	382.58	5.11	-50.99
CSCC[C@H](NC(=O)C1=CC(C(=O)C2=CC=CC=C2)=CN1)C1=NN=N[N-]1	REAL300020168366	1	43	-1.0	-56.10	382.63	5.13	-50.97
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1C)C1=NN=N[N-]1	REAL300020168367	0	43	-1.0	-43.24	384.20	5.47	-37.77
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(F)C=C2)=NN1C)C1=N[N-]N=N1	REAL300020168367	1	43	-1.0	-43.24	384.14	5.45	-37.79
CSCC[C@H](NC(=O)C1=CCN(C(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300020168368	0	54	-1.0	-53.76	431.99	5.78	-47.98
CSCC[C@H](NC(=O)C1=CCN(C(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300020168368	1	54	-1.0	-53.80	432.05	5.79	-48.01
CSCC[C@H](NC(=O)CC1=C(Br)SC=C1)C1=N[N-]N=N1	REAL300020168369	0	33	-1.0	-44.04	332.09	4.38	-39.66
CSCC[C@H](NC(=O)CC1=C(Br)SC=C1)C1=NN=N[N-]1	REAL300020168369	1	33	-1.0	-44.03	332.15	4.39	-39.64
CSCC[C@H](NC(=O)C1=CC=C(OC2CC2)C=C1)C1=N[N-]N=N1	REAL300020168370	0	41	-1.0	-46.39	357.99	5.06	-41.33
CSCC[C@H](NC(=O)C1=CC=C(OC2CC2)C=C1)C1=NN=N[N-]1	REAL300020168370	1	41	-1.0	-46.40	358.04	5.08	-41.32
CSCC[C@H](NC(=O)C1=NC=CC2=NC=NC=C21)C1=NN=N[N-]1	REAL300020168371	0	36	-1.0	-44.56	325.76	2.50	-42.06
CSCC[C@H](NC(=O)C1=NC=CC2=NC=NC=C21)C1=N[N-]N=N1	REAL300020168371	1	36	-1.0	-44.56	325.70	2.49	-42.07
CSCC[C@H](NC(=O)C(F)(F)C1(O)CCCCCC1)C1=N[N-]N=N1	REAL300020168372	0	46	-1.0	-40.14	365.93	2.62	-37.52
CSCC[C@H](NC(=O)C(F)(F)C1(O)CCCCCC1)C1=NN=N[N-]1	REAL300020168372	1	46	-1.0	-40.16	365.99	2.63	-37.53
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168373	0	50	-1.0	-48.59	415.89	7.28	-41.31
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168373	1	50	-1.0	-48.61	415.95	7.30	-41.31
CSCC[C@H](NC(=O)C1=CC=C(C2CC(=O)C2)C=C1)C1=N[N-]N=N1	REAL300020168374	0	42	-1.0	-49.94	365.98	5.78	-44.16
CSCC[C@H](NC(=O)C1=CC=C(C2CC(=O)C2)C=C1)C1=NN=N[N-]1	REAL300020168374	1	42	-1.0	-49.95	366.04	5.79	-44.16
CSCC[C@H](NC(=O)C1(O)CC(C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020168375	0	44	-1.0	-46.48	372.40	3.47	-43.01
CSCC[C@H](NC(=O)C1(O)CC(C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020168375	1	44	-1.0	-46.48	372.46	3.48	-43.00
CSCC[C@H](NC(=O)CCC1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL300020168376	0	42	-1.0	-47.06	370.45	4.16	-42.90
CSCC[C@H](NC(=O)CCC1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL300020168376	1	42	-1.0	-47.04	370.50	4.18	-42.86
CSCC[C@H](NC(=O)C1=C(Cl)C([N+](=O)[O-])=NN1)C1=N[N-]N=N1	REAL300020168377	0	32	-1.0	-42.28	322.70	2.70	-39.58
CSCC[C@H](NC(=O)C1=C(Cl)C([N+](=O)[O-])=NN1)C1=NN=N[N-]1	REAL300020168377	1	32	-1.0	-42.29	322.76	2.72	-39.57
CSCC[C@H](NC(=O)C1=NC2=CNN=C2C=C1)C1=N[N-]N=N1	REAL300020168378	0	35	-1.0	-50.08	320.85	1.02	-49.06
CSCC[C@H](NC(=O)C1=NC2=CNN=C2C=C1)C1=NN=N[N-]1	REAL300020168378	1	35	-1.0	-50.07	320.91	1.04	-49.03
CSCC[C@H](NC(=O)C(O)C1(O)CCOCC1)C1=N[N-]N=N1	REAL300020168379	0	42	-1.0	-46.79	347.97	-2.14	-48.93
CSCC[C@H](NC(=O)C(O)C1(O)CCOCC1)C1=NN=N[N-]1	REAL300020168379	1	42	-1.0	-46.81	348.03	-2.12	-48.93
CSCC[C@H](NC(=O)C1=CC=C(CO)C=N1)C1=NN=N[N-]1	REAL300020168380	0	36	-1.0	-49.22	327.66	-0.32	-49.54
CSCC[C@H](NC(=O)C1=CC=C(CO)C=N1)C1=N[N-]N=N1	REAL300020168380	1	36	-1.0	-49.23	327.60	-0.34	-49.57
COC1=C(Cl)C=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168381	0	37	-1.0	-49.10	342.76	5.21	-43.89
COC1=C(Cl)C=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168381	1	37	-1.0	-49.09	342.81	5.23	-43.86
CSCC[C@H](NC(=O)C(=O)NC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020168382	0	40	-1.0	-42.35	356.12	3.01	-39.34
CSCC[C@H](NC(=O)C(=O)NC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020168382	1	40	-1.0	-42.36	356.17	3.02	-39.34
CSCC[C@H](NC(=O)C1=C(C(C)C)NC(C(C)C)=C1)C1=N[N-]N=N1	REAL300020168383	0	49	-1.0	-48.50	406.40	5.68	-42.82
CSCC[C@H](NC(=O)C1=C(C(C)C)NC(C(C)C)=C1)C1=NN=N[N-]1	REAL300020168383	1	49	-1.0	-48.55	406.46	5.69	-42.86
CSCC[C@H](NC(=O)C1=C2CCCCN2C(C)=N1)C1=N[N-]N=N1	REAL300020168384	0	43	-1.0	-52.44	363.33	4.77	-47.67
CSCC[C@H](NC(=O)C1=C2CCCCN2C(C)=N1)C1=NN=N[N-]1	REAL300020168384	1	43	-1.0	-52.47	363.39	4.79	-47.68
CCCOC1=CC=C2NC=C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C2=C1	REAL300020168385	0	50	-1.0	-58.07	426.97	5.83	-52.24
CCCOC1=CC=C2NC=C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C2=C1	REAL300020168385	1	50	-1.0	-58.02	427.02	5.84	-52.18
CSCC[C@H](NC(=O)C1=CC(C#N)=C2CCCCN12)C1=N[N-]N=N1	REAL300020168386	0	42	-1.0	-48.61	363.33	5.74	-42.87
CSCC[C@H](NC(=O)C1=CC(C#N)=C2CCCCN12)C1=NN=N[N-]1	REAL300020168386	1	42	-1.0	-48.64	363.39	5.76	-42.88
COC(=O)C1=C2CCCCN2C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168387	0	47	-1.0	-49.33	396.28	5.93	-43.40
COC(=O)C1=C2CCCCN2C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168387	1	47	-1.0	-49.35	396.34	5.94	-43.41
CSCC[C@H](NC(=O)CC1=C(Cl)C=NN1C)C1=N[N-]N=N1	REAL300020168388	0	36	-1.0	-45.96	339.80	2.80	-43.16
CSCC[C@H](NC(=O)CC1=C(Cl)C=NN1C)C1=NN=N[N-]1	REAL300020168388	1	36	-1.0	-45.99	339.86	2.81	-43.18
CSCC[C@H](NC(=O)C1CCC2=NNC(=O)N2C1)C1=N[N-]N=N1	REAL300020168389	0	40	-1.0	-50.79	347.20	1.90	-48.89
CSCC[C@H](NC(=O)C1CCC2=NNC(=O)N2C1)C1=NN=N[N-]1	REAL300020168389	1	40	-1.0	-50.81	347.26	1.91	-48.90
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)OC(C)=C1C)C1=N[N-]N=N1	REAL300020168390	0	39	-1.0	-49.90	364.77	4.59	-45.31
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)OC(C)=C1C)C1=NN=N[N-]1	REAL300020168390	1	39	-1.0	-49.92	364.83	4.61	-45.31
CSCC[C@H](NC(=O)C1=CN2CCOCC2=C1)C1=N[N-]N=N1	REAL300020168391	0	39	-1.0	-49.36	340.30	2.91	-46.45
CSCC[C@H](NC(=O)C1=CN2CCOCC2=C1)C1=NN=N[N-]1	REAL300020168391	1	39	-1.0	-49.37	340.36	2.93	-46.44
CCN1C(=O)NC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168392	0	37	-1.0	-49.26	329.19	1.71	-47.55
CCN1C(=O)NC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168392	1	37	-1.0	-49.28	329.25	1.72	-47.56
CSCC[C@H](NC(=O)C(=O)C1=CC=C(F)C(C)=C1)C1=N[N-]N=N1	REAL300020168393	0	38	-1.0	-39.69	344.74	4.61	-35.08
CSCC[C@H](NC(=O)C(=O)C1=CC=C(F)C(C)=C1)C1=NN=N[N-]1	REAL300020168393	1	38	-1.0	-39.64	344.80	4.62	-35.02
COC1=CN(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=CC1=O	REAL300020168394	0	43	-1.0	-59.31	374.38	4.22	-55.09
COC1=CN(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=CC1=O	REAL300020168394	1	43	-1.0	-59.37	374.44	4.24	-55.13
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)C1CC1)C1=N[N-]N=N1	REAL300020168395	0	46	-1.0	-44.84	383.69	7.47	-37.37
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)C1CC1)C1=NN=N[N-]1	REAL300020168395	1	46	-1.0	-44.81	383.75	7.49	-37.32
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL300020168396	0	38	-1.0	-49.14	359.87	3.13	-46.01
CSCC[C@H](NC(=O)C1=CSC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL300020168396	1	38	-1.0	-49.16	359.81	3.11	-46.05
CNC1=NC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168397	0	37	-1.0	-45.65	324.29	2.64	-43.01
CNC1=NC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168397	1	37	-1.0	-45.67	324.34	2.66	-43.01
CSCC[C@H](NC(=O)CN1N=CC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168398	0	43	-1.0	-50.59	375.02	5.23	-45.36
CSCC[C@H](NC(=O)CN1N=CC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168398	1	43	-1.0	-50.56	374.96	5.21	-45.35
CSCC[C@H](NC(=O)CC1CCC2CC2C1)C1=N[N-]N=N1	REAL300020168399	0	43	-1.0	-45.52	349.70	5.65	-39.87
CSCC[C@H](NC(=O)CC1CCC2CC2C1)C1=NN=N[N-]1	REAL300020168399	1	43	-1.0	-45.50	349.76	5.67	-39.83
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](N2C=CC=C2)CC1)C1=N[N-]N=N1	REAL300020168400	0	47	-1.0	-48.77	377.41	6.53	-42.24
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](N2C=CC=C2)CC1)C1=NN=N[N-]1	REAL300020168400	1	47	-1.0	-48.77	377.46	6.54	-42.23
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2F)OC=N1)C1=NN=N[N-]1	REAL300020168401	0	39	-1.0	-49.46	359.43	2.56	-46.90
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2F)OC=N1)C1=N[N-]N=N1	REAL300020168401	1	39	-1.0	-49.47	359.37	2.54	-46.93
CSCC[C@H](NC(=O)CCOC1=CC=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300020168402	0	43	-1.0	-44.92	389.46	5.61	-39.31
CSCC[C@H](NC(=O)CCOC1=CC=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300020168402	1	43	-1.0	-44.94	389.52	5.62	-39.32
CSCC[C@H](NC(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C1=N[N-]N=N1	REAL300020168403	0	39	-1.0	-47.49	360.68	1.84	-45.65
CSCC[C@H](NC(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C1=NN=N[N-]1	REAL300020168403	1	39	-1.0	-47.53	360.74	1.86	-45.67
CSCC[C@H](NC(=O)C1=CC=CN=C1OCCO)C1=NN=N[N-]1	REAL300020168404	0	40	-1.0	-56.06	355.84	-0.15	-56.21
CSCC[C@H](NC(=O)C1=CC=CN=C1OCCO)C1=N[N-]N=N1	REAL300020168404	1	40	-1.0	-56.09	355.78	-0.16	-56.25
CSCC[C@H](NC(=O)C1=CC=C(OC(F)(F)F)C=C1F)C1=N[N-]N=N1	REAL300020168405	0	37	-1.0	-47.90	347.97	3.96	-43.94
CSCC[C@H](NC(=O)C1=CC=C(OC(F)(F)F)C=C1F)C1=NN=N[N-]1	REAL300020168405	1	37	-1.0	-47.93	348.02	3.98	-43.95
CSCC[C@H](NC(=O)C(=O)C1=CC=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL300020168406	0	35	-1.0	-38.52	335.19	4.12	-34.40
CSCC[C@H](NC(=O)C(=O)C1=CC=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL300020168406	1	35	-1.0	-38.51	335.25	4.14	-34.37
CSCC[C@H](NC(=O)C1=C(O)C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020168407	0	40	-1.0	-51.74	357.27	3.34	-48.40
CSCC[C@H](NC(=O)C1=C(O)C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020168407	1	40	-1.0	-51.72	357.21	3.33	-48.39
CSCC[C@H](NC(=O)CCC1=CC=C(CO)C=C1)C1=N[N-]N=N1	REAL300020168408	0	43	-1.0	-47.85	376.37	2.90	-44.95
CSCC[C@H](NC(=O)CCC1=CC=C(CO)C=C1)C1=NN=N[N-]1	REAL300020168408	1	43	-1.0	-47.84	376.42	2.91	-44.93
CSCC[C@H](NC(=O)C1=NN2C=C(CCO)C=NC2=N1)C1=NN=N[N-]1	REAL300020168409	0	41	-1.0	-54.98	372.86	2.32	-52.66
CSCC[C@H](NC(=O)C1=NN2C=C(CCO)C=NC2=N1)C1=N[N-]N=N1	REAL300020168409	1	41	-1.0	-54.96	372.80	2.30	-52.66
CSCC[C@H](NC(=O)C1=NN2C(=C1)N=CC=C2C(F)(F)F)C1=NN=N[N-]1	REAL300020168410	0	38	-1.0	-52.36	363.00	3.79	-48.57
CSCC[C@H](NC(=O)C1=NN2C(=C1)N=CC=C2C(F)(F)F)C1=N[N-]N=N1	REAL300020168410	1	38	-1.0	-52.35	362.94	3.77	-48.58
CSCC[C@H](NC(=O)C1=C(Br)C=NS1)C1=NN=N[N-]1	REAL300020168411	0	29	-1.0	-42.10	303.40	2.35	-39.75
CSCC[C@H](NC(=O)C1=C(Br)C=NS1)C1=N[N-]N=N1	REAL300020168411	1	29	-1.0	-42.10	303.35	2.34	-39.76
CSCC[C@H](NC(=O)C1=C2C=NC=CN2C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020168412	0	38	-1.0	-46.03	360.73	3.67	-42.36
CSCC[C@H](NC(=O)C1=C2C=NC=CN2C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020168412	1	38	-1.0	-46.01	360.68	3.66	-42.35
CSCC[C@H](NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020168413	0	51	-1.0	-57.30	426.82	0.79	-56.51
CSCC[C@H](NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020168413	1	51	-1.0	-57.30	426.87	0.80	-56.50
CSCC[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300020168414	0	55	-1.0	-50.36	438.36	3.85	-46.51
CSCC[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300020168414	1	55	-1.0	-50.40	438.42	3.86	-46.54
CSCC[C@H](NC(=O)C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168415	0	56	-1.0	-48.35	437.54	5.97	-42.38
CSCC[C@H](NC(=O)C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168415	1	56	-1.0	-48.38	437.60	5.98	-42.40
CSCC[C@H](NC(=O)C1=C2NCCC(C(F)(F)F)N2N=C1)C1=NN=N[N-]1	REAL300020168416	0	42	-1.0	-50.41	373.68	2.80	-47.61
CSCC[C@H](NC(=O)C1=C2NCCC(C(F)(F)F)N2N=C1)C1=N[N-]N=N1	REAL300020168416	1	42	-1.0	-50.45	373.62	2.79	-47.66
CSCC[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300020168417	0	55	-1.0	-52.63	438.37	3.85	-48.78
CSCC[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300020168417	1	55	-1.0	-52.62	438.42	3.86	-48.76
CSCC[C@H](NC(=O)C1=CN=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020168418	0	32	-1.0	-42.42	322.18	3.27	-39.15
CSCC[C@H](NC(=O)C1=CN=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020168418	1	32	-1.0	-42.44	322.12	3.26	-39.18
CSCC[C@H](NC(=O)CN1N=CC2=CC(C)=CN=C21)C1=NN=N[N-]1	REAL300020168419	0	41	-1.0	-55.55	367.22	4.20	-51.35
CSCC[C@H](NC(=O)CN1N=CC2=CC(C)=CN=C21)C1=N[N-]N=N1	REAL300020168419	1	41	-1.0	-55.56	367.16	4.19	-51.37
CSCC[C@H](NC(=O)C1=CN(CC2CCCCO2)N=C1)C1=NN=N[N-]1	REAL300020168420	0	47	-1.0	-48.76	397.76	3.98	-44.78
CSCC[C@H](NC(=O)C1=CN(CC2CCCCO2)N=C1)C1=N[N-]N=N1	REAL300020168420	1	47	-1.0	-48.73	397.70	3.96	-44.77
CSCC[C@H](NC(=O)C1=CSC2=C1CCCCCC2)C1=N[N-]N=N1	REAL300020168421	0	46	-1.0	-46.98	373.37	6.53	-40.45
CSCC[C@H](NC(=O)C1=CSC2=C1CCCCCC2)C1=NN=N[N-]1	REAL300020168421	1	46	-1.0	-46.96	373.42	6.54	-40.42
CSCC[C@H](NC(=O)C1=CSC2=C1CCC(C)(C)C2)C1=N[N-]N=N1	REAL300020168422	0	46	-1.0	-47.10	384.14	6.56	-40.54
CSCC[C@H](NC(=O)C1=CSC2=C1CCC(C)(C)C2)C1=NN=N[N-]1	REAL300020168422	1	46	-1.0	-47.07	384.20	6.58	-40.49
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1(O)CCCCC1	REAL300020168423	0	49	-1.0	-46.01	376.93	3.37	-42.64
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1(O)CCCCC1	REAL300020168423	1	49	-1.0	-45.98	376.99	3.38	-42.60
COC(=O)C1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)NN=C1C	REAL300020168424	0	39	-1.0	-49.55	356.59	1.75	-47.80
COC(=O)C1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)NN=C1C	REAL300020168424	1	39	-1.0	-49.53	356.65	1.77	-47.76
CSCC[C@H](NC(=O)C(F)(F)C(O)C(C)C)C1=N[N-]N=N1	REAL300020168425	0	39	-1.0	-41.67	337.85	2.12	-39.55
CSCC[C@H](NC(=O)C(F)(F)C(O)C(C)C)C1=NN=N[N-]1	REAL300020168425	1	39	-1.0	-41.68	337.91	2.14	-39.54
C#CC1=CC=CC(NC(=O)CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168426	0	42	-1.0	-63.23	380.82	5.62	-57.61
C#CC1=CC=CC(NC(=O)CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168426	1	42	-1.0	-63.29	380.88	5.63	-57.66
CSCC[C@H](NC(=O)C(F)(F)C(O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168427	0	40	-1.0	-43.16	358.88	3.98	-39.18
CSCC[C@H](NC(=O)C(F)(F)C(O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168427	1	40	-1.0	-43.18	358.94	3.99	-39.19
CSCC[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)COC1)C1=N[N-]N=N1	REAL300020168428	0	51	-1.0	-50.21	416.39	2.06	-48.15
CSCC[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)COC1)C1=NN=N[N-]1	REAL300020168428	1	51	-1.0	-50.22	416.45	2.07	-48.15
CSCC[C@H](NC(=O)C12CC(C(=O)OC(C)(C)C)(C1)C2)C1=N[N-]N=N1	REAL300020168429	0	49	-1.0	-46.81	410.44	6.35	-40.46
CSCC[C@H](NC(=O)C12CC(C(=O)OC(C)(C)C)(C1)C2)C1=NN=N[N-]1	REAL300020168429	1	49	-1.0	-46.82	410.50	6.37	-40.45
CSCC[C@H](NC(=O)C1=NN(C)C(Cl)=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020168430	0	36	-1.0	-47.38	351.31	3.26	-44.12
CSCC[C@H](NC(=O)C1=NN(C)C(Cl)=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020168430	1	36	-1.0	-47.36	351.25	3.24	-44.12
CSCC[C@H](NC(=O)CN1CCCC(C(F)(F)F)C1=O)C1=N[N-]N=N1	REAL300020168431	0	43	-1.0	-57.06	378.60	4.02	-53.04
CSCC[C@H](NC(=O)CN1CCCC(C(F)(F)F)C1=O)C1=NN=N[N-]1	REAL300020168431	1	43	-1.0	-57.08	378.65	4.03	-53.05
CSCC[C@H](NC(=O)C1=C2C=CC=CN2C=N1)C1=NN=N[N-]1	REAL300020168432	0	36	-1.0	-55.98	325.85	5.40	-50.58
CSCC[C@H](NC(=O)C1=C2C=CC=CN2C=N1)C1=N[N-]N=N1	REAL300020168432	1	36	-1.0	-56.01	325.79	5.38	-50.63
CSCC[C@H](NC(=O)C1=NN2C=CC=C(C)C2=C1)C1=NN=N[N-]1	REAL300020168433	0	39	-1.0	-51.60	349.85	4.42	-47.18
CSCC[C@H](NC(=O)C1=NN2C=CC=C(C)C2=C1)C1=N[N-]N=N1	REAL300020168433	1	39	-1.0	-51.57	349.80	4.40	-47.17
CSCC[C@H](NC(=O)C1=CC=C2CCNC(=O)C2=C1)C1=N[N-]N=N1	REAL300020168434	0	41	-1.0	-59.57	357.12	2.55	-57.02
CSCC[C@H](NC(=O)C1=CC=C2CCNC(=O)C2=C1)C1=NN=N[N-]1	REAL300020168434	1	41	-1.0	-59.62	357.17	2.57	-57.05
CSCC[C@H](NC(=O)C1=CN=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL300020168435	0	38	-1.0	-45.36	341.74	2.13	-43.23
CSCC[C@H](NC(=O)C1=CN=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL300020168435	1	38	-1.0	-45.34	341.68	2.12	-43.22
CSCC[C@H](NC(=O)C1=CC(C)=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL300020168436	0	41	-1.0	-50.60	355.45	5.22	-45.38
CSCC[C@H](NC(=O)C1=CC(C)=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL300020168436	1	41	-1.0	-50.55	355.39	5.21	-45.34
CSCC[C@H](NC(=O)CCOCCOC(C)(C)C)C1=N[N-]N=N1	REAL300020168437	0	49	-1.0	-45.29	407.46	3.19	-42.10
CSCC[C@H](NC(=O)CCOCCOC(C)(C)C)C1=NN=N[N-]1	REAL300020168437	1	49	-1.0	-45.33	407.52	3.20	-42.13
CSCC[C@H](NC(=O)C1=NN2C=C(Br)C=CC2=C1)C1=NN=N[N-]1	REAL300020168438	0	36	-1.0	-46.83	350.17	4.38	-42.45
CSCC[C@H](NC(=O)C1=NN2C=C(Br)C=CC2=C1)C1=N[N-]N=N1	REAL300020168438	1	36	-1.0	-46.84	350.12	4.37	-42.47
CSCC[C@H](NC(=O)C1=CC2=C(CCC(C(C)C)C2)S1)C1=N[N-]N=N1	REAL300020168439	0	49	-1.0	-45.77	409.25	7.45	-38.32
CSCC[C@H](NC(=O)C1=CC2=C(CCC(C(C)C)C2)S1)C1=NN=N[N-]1	REAL300020168439	1	49	-1.0	-45.83	409.31	7.47	-38.36
COC(=O)C1=CC(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CN1	REAL300020168440	0	43	-1.0	-48.46	385.22	3.98	-44.48
COC(=O)C1=CC(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CN1	REAL300020168440	1	43	-1.0	-48.43	385.27	4.00	-44.43
CSCC[C@H](NC(=O)C1CCCC(NC2=CN=CC=N2)C1)C1=NN=N[N-]1	REAL300020168441	0	49	-1.0	-48.17	401.18	3.69	-44.48
CSCC[C@H](NC(=O)C1CCCC(NC2=CN=CC=N2)C1)C1=N[N-]N=N1	REAL300020168441	1	49	-1.0	-48.19	401.12	3.67	-44.52
CSCC[C@H](NC(=O)C1=CC=C(NC2=NC=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020168442	0	43	-1.0	-51.02	379.33	6.66	-44.36
CSCC[C@H](NC(=O)C1=CC=C(NC2=NC=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020168442	1	43	-1.0	-50.99	379.27	6.65	-44.34
CSCC[C@H](NC(=O)C(C1=CSC=N1)N(C)C)C1=N[N-]N=N1	REAL300020168443	0	40	-1.0	-48.43	356.93	0.99	-47.44
CSCC[C@H](NC(=O)C(C1=CSC=N1)N(C)C)C1=NN=N[N-]1	REAL300020168443	1	40	-1.0	-48.38	356.98	1.00	-47.38
CSCC[C@H](NC(=O)CC1=CC(Br)=CC(C)=N1)C1=N[N-]N=N1	REAL300020168444	0	38	-1.0	-47.90	358.60	4.34	-43.56
CSCC[C@H](NC(=O)CC1=CC(Br)=CC(C)=N1)C1=NN=N[N-]1	REAL300020168444	1	38	-1.0	-47.85	358.66	4.35	-43.50
CSCC[C@H](NC(=O)C1=NOC(C2(C)CC2)=N1)C1=NN=N[N-]1	REAL300020168445	0	38	-1.0	-47.49	344.97	1.76	-45.73
CSCC[C@H](NC(=O)C1=NOC(C2(C)CC2)=N1)C1=N[N-]N=N1	REAL300020168445	1	38	-1.0	-47.48	344.91	1.75	-45.73
CCOCCOCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168446	0	43	-1.0	-45.34	373.15	2.04	-43.30
CCOCCOCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168446	1	43	-1.0	-45.35	373.21	2.06	-43.29
CSCC[C@H](NC(=O)C1=CC=C2CCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020168447	0	41	-1.0	-51.70	357.37	3.26	-48.44
CSCC[C@H](NC(=O)C1=CC=C2CCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020168447	1	41	-1.0	-51.70	357.42	3.28	-48.42
CSCC[C@H](NC(=O)C1=CN(C2=CC=C(F)C=C2)N=C1C)C1=N[N-]N=N1	REAL300020168448	0	43	-1.0	-47.23	383.02	5.91	-41.32
CSCC[C@H](NC(=O)C1=CN(C2=CC=C(F)C=C2)N=C1C)C1=NN=N[N-]1	REAL300020168448	1	43	-1.0	-47.28	383.08	5.92	-41.36
CSCC[C@H](NC(=O)CC1=CN=C2C(C)=CC=CN12)C1=N[N-]N=N1	REAL300020168449	0	42	-1.0	-55.88	370.09	5.74	-50.14
CSCC[C@H](NC(=O)CC1=CN=C2C(C)=CC=CN12)C1=NN=N[N-]1	REAL300020168449	1	42	-1.0	-55.90	370.14	5.75	-50.15
CSCC[C@H](NC(=O)COC1(C)CCOCC1)C1=N[N-]N=N1	REAL300020168450	0	44	-1.0	-49.72	361.92	2.78	-46.94
CSCC[C@H](NC(=O)COC1(C)CCOCC1)C1=NN=N[N-]1	REAL300020168450	1	44	-1.0	-49.75	361.97	2.80	-46.95
CSCC[C@H](NC(=O)C1(C2=CC=CS2)CC2(CCC2)C1)C1=N[N-]N=N1	REAL300020168451	0	47	-1.0	-48.38	403.86	7.38	-41.00
CSCC[C@H](NC(=O)C1(C2=CC=CS2)CC2(CCC2)C1)C1=NN=N[N-]1	REAL300020168451	1	47	-1.0	-48.33	403.92	7.39	-40.94
CSCC[C@H](NC(=O)C1=C(CO)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020168452	0	40	-1.0	-47.90	357.94	1.83	-46.07
CSCC[C@H](NC(=O)C1=C(CO)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020168452	1	40	-1.0	-47.93	357.99	1.84	-46.09
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCO1)C1=N[N-]N=N1	REAL300020168453	0	41	-1.0	-46.75	350.72	3.51	-43.24
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCO1)C1=NN=N[N-]1	REAL300020168453	1	41	-1.0	-46.73	350.78	3.53	-43.20
CSCC[C@H](NC(=O)CC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020168454	0	42	-1.0	-56.90	382.85	2.28	-54.62
CSCC[C@H](NC(=O)CC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020168454	1	42	-1.0	-56.94	382.91	2.30	-54.64
CSCC[C@H](NC(=O)C1=C(C)OC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168455	0	43	-1.0	-51.77	386.27	6.51	-45.26
CSCC[C@H](NC(=O)C1=C(C)OC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168455	1	43	-1.0	-51.78	386.32	6.52	-45.26
CSCC[C@H](NC(=O)C1(C)CCNC(=O)C1)C1=N[N-]N=N1	REAL300020168456	0	40	-1.0	-54.77	336.18	0.70	-54.07
CSCC[C@H](NC(=O)C1(C)CCNC(=O)C1)C1=NN=N[N-]1	REAL300020168456	1	40	-1.0	-54.73	336.23	0.71	-54.02
CSCC[C@H](NC(=O)C(F)(F)CC1=C(C)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020168457	0	46	-1.0	-44.07	405.69	6.26	-37.81
CSCC[C@H](NC(=O)C(F)(F)CC1=C(C)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020168457	1	46	-1.0	-44.08	405.74	6.29	-37.79
CSCC[C@H](NC(=O)CC1=CC(C)=CS1)C1=N[N-]N=N1	REAL300020168458	0	36	-1.0	-45.84	334.02	4.54	-41.30
CSCC[C@H](NC(=O)CC1=CC(C)=CS1)C1=NN=N[N-]1	REAL300020168458	1	36	-1.0	-45.85	334.08	4.56	-41.29
CSCC[C@H](NC(=O)C1=C(Cl)C=CC=C1OCC1CC1)C1=N[N-]N=N1	REAL300020168459	0	44	-1.0	-52.55	399.76	6.22	-46.33
CSCC[C@H](NC(=O)C1=C(Cl)C=CC=C1OCC1CC1)C1=NN=N[N-]1	REAL300020168459	1	44	-1.0	-52.56	399.82	6.23	-46.33
CSCC[C@H](NC(=O)[C@H](NC(C)=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020168460	0	45	-1.0	-44.13	365.66	2.46	-41.67
CSCC[C@H](NC(=O)[C@H](NC(C)=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020168460	1	45	-1.0	-44.12	365.72	2.47	-41.65
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1CCCCC1)C1=N[N-]N=N1	REAL300020168461	0	48	-1.0	-47.00	404.56	6.12	-40.88
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1CCCCC1)C1=NN=N[N-]1	REAL300020168461	1	48	-1.0	-47.02	404.62	6.13	-40.89
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1CCCC1)C1=N[N-]N=N1	REAL300020168462	0	45	-1.0	-46.47	386.23	5.48	-40.99
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1CCCC1)C1=NN=N[N-]1	REAL300020168462	1	45	-1.0	-46.49	386.28	5.49	-41.00
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1OCC(C)C)C1=N[N-]N=N1	REAL300020168463	0	46	-1.0	-49.05	405.04	7.54	-41.51
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1OCC(C)C)C1=NN=N[N-]1	REAL300020168463	1	46	-1.0	-49.06	405.09	7.55	-41.51
CSCC[C@H](NC(=O)C1(C2=CN(C)N=C2)CCCO1)C1=NN=N[N-]1	REAL300020168464	0	44	-1.0	-48.73	375.76	2.63	-46.10
CSCC[C@H](NC(=O)C1(C2=CN(C)N=C2)CCCO1)C1=N[N-]N=N1	REAL300020168464	1	44	-1.0	-48.75	375.71	2.61	-46.14
CSCC[C@H](NC(=O)CC1=CC=C2OC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020168465	0	39	-1.0	-50.40	353.95	2.27	-48.13
CSCC[C@H](NC(=O)CC1=CC=C2OC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020168465	1	39	-1.0	-50.41	354.00	2.28	-48.13
CSCC[C@H](NC(=O)C1=C2COCCN2C(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020168466	0	48	-1.0	-52.00	407.56	5.11	-46.89
CSCC[C@H](NC(=O)C1=C2COCCN2C(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020168466	1	48	-1.0	-52.05	407.50	5.10	-46.95
CSCC[C@H](NC(=O)C#CC1CCCOC1)C1=N[N-]N=N1	REAL300020168467	0	39	-1.0	-45.41	344.11	3.33	-42.08
CSCC[C@H](NC(=O)C#CC1CCCOC1)C1=NN=N[N-]1	REAL300020168467	1	39	-1.0	-45.43	344.17	3.34	-42.09
C=CCCCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020168468	0	46	-1.0	-46.93	396.22	7.64	-39.29
C=CCCCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020168468	1	46	-1.0	-46.93	396.28	7.66	-39.27
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)N2CCCCC2)=C1)C1=N[N-]N=N1	REAL300020168469	0	50	-1.0	-58.36	413.07	6.03	-52.33
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)N2CCCCC2)=C1)C1=NN=N[N-]1	REAL300020168469	1	50	-1.0	-58.40	413.13	6.05	-52.35
CSCC[C@H](NC(=O)C1CCC2(CC2(F)F)CC1)C1=N[N-]N=N1	REAL300020168470	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	REAL300020168470	1	43	-1.0	-54.00	360.12	5.64	-48.36
CSCC[C@H](NC(=O)CN1CCCC2(CC2)S1(=O)=O)C1=N[N-]N=N1	REAL300020168471	0	45	-1.0	-64.74	390.76	1.89	-62.85
CSCC[C@H](NC(=O)CN1CCCC2(CC2)S1(=O)=O)C1=NN=N[N-]1	REAL300020168471	1	45	-1.0	-64.72	390.81	1.91	-62.81
CSCC[C@H](NC(=O)C1CC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL300020168472	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	REAL300020168472	1	37	-1.0	-45.24	334.44	4.62	-40.62
CCOC(=O)C1=NNC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168473	0	39	-1.0	-45.15	358.11	2.04	-43.11
CCOC(=O)C1=NNC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168473	1	39	-1.0	-45.18	358.17	2.05	-43.13
CSCC[C@H](NC(=O)CSC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020168474	0	36	-1.0	-47.42	338.82	3.64	-43.78
CSCC[C@H](NC(=O)CSC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020168474	1	36	-1.0	-47.42	338.76	3.63	-43.79
CSCC[C@H](NC(=O)C1=CN2N=CN=C2C=C1)C1=NN=N[N-]1	REAL300020168475	0	35	-1.0	-46.98	319.42	4.55	-42.43
CSCC[C@H](NC(=O)C1=CN2N=CN=C2C=C1)C1=N[N-]N=N1	REAL300020168475	1	35	-1.0	-47.01	319.36	4.52	-42.49
CSCC[C@H](NC(=O)C1=C(C)C=C(C=O)N1)C1=N[N-]N=N1	REAL300020168476	0	36	-1.0	-47.45	326.83	2.17	-45.28
CSCC[C@H](NC(=O)C1=C(C)C=C(C=O)N1)C1=NN=N[N-]1	REAL300020168476	1	36	-1.0	-47.46	326.89	2.19	-45.27
CSCC[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020168477	0	49	0.0	-60.66	402.61	6.95	-53.71
CSCC[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020168477	1	49	0.0	-60.62	402.79	7.01	-53.61
CSCC[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020168477	1	49	0.0	-60.64	402.55	6.93	-53.71
CSCC[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020168477	1	49	0.0	-60.58	402.73	6.99	-53.59
CSCC[C@H](NC(=O)C1CCS1(=O)=O)C1=N[N-]N=N1	REAL300020168478	0	33	-1.0	-58.43	307.89	-0.98	-59.41
CSCC[C@H](NC(=O)C1CCS1(=O)=O)C1=NN=N[N-]1	REAL300020168478	1	33	-1.0	-58.38	307.95	-0.96	-59.34
CSCC[C@H](NC(=O)C1=CC=C(C2(O)COC2)C=C1)C1=N[N-]N=N1	REAL300020168479	0	42	-1.0	-48.16	363.35	1.14	-47.02
CSCC[C@H](NC(=O)C1=CC=C(C2(O)COC2)C=C1)C1=NN=N[N-]1	REAL300020168479	1	42	-1.0	-48.15	363.41	1.16	-46.99
CSCC[C@H](NC(=O)C1=NN(C)C(Cl)=C1Cl)C1=NN=N[N-]1	REAL300020168480	0	33	-1.0	-46.15	334.26	2.76	-43.39
CSCC[C@H](NC(=O)C1=NN(C)C(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020168480	1	33	-1.0	-46.16	334.21	2.74	-43.42
CSCC[C@H](NC(=O)CC(C(F)F)N1CCOCC1)C1=N[N-]N=N1	REAL300020168481	0	45	-1.0	-49.29	368.04	1.06	-48.23
CSCC[C@H](NC(=O)CC(C(F)F)N1CCOCC1)C1=NN=N[N-]1	REAL300020168481	1	45	-1.0	-49.29	368.09	1.07	-48.22
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CN=C2)N1)C1=N[N-]N=N1	REAL300020168482	0	42	-1.0	-46.46	372.32	3.36	-43.10
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CN=C2)N1)C1=NN=N[N-]1	REAL300020168482	1	42	-1.0	-46.45	372.37	3.38	-43.07
CSCC[C@H](NC(=O)C1=CC2=C(C)C=C(C)N=C2S1)C1=N[N-]N=N1	REAL300020168483	0	41	-1.0	-47.51	372.65	4.80	-42.71
CSCC[C@H](NC(=O)C1=CC2=C(C)C=C(C)N=C2S1)C1=NN=N[N-]1	REAL300020168483	1	41	-1.0	-47.49	372.71	4.81	-42.68
CSCC[C@H](NC(=O)C1=C2NCCCN2N=C1)C1=NN=N[N-]1	REAL300020168484	0	39	-1.0	-50.30	338.04	1.70	-48.60
CSCC[C@H](NC(=O)C1=C2NCCCN2N=C1)C1=N[N-]N=N1	REAL300020168484	1	39	-1.0	-50.29	337.98	1.69	-48.60
CSCC[C@H](NC(=O)C1=CC=NC(C(F)(F)F)=C1N)C1=NN=N[N-]1	REAL300020168485	0	37	-1.0	-42.87	338.91	1.80	-41.07
CSCC[C@H](NC(=O)C1=CC=NC(C(F)(F)F)=C1N)C1=N[N-]N=N1	REAL300020168485	1	37	-1.0	-42.84	338.85	1.78	-41.06
CSCC[C@H](NC(=O)C1=C(N)C(C)=NS1)C1=N[N-]N=N1	REAL300020168486	0	34	-1.0	-43.93	315.44	0.45	-43.48
CSCC[C@H](NC(=O)C1=C(N)C(C)=NS1)C1=NN=N[N-]1	REAL300020168486	1	34	-1.0	-43.92	315.50	0.46	-43.46
CSCC[C@H](NC(=O)C1C(C)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168487	0	53	-1.0	-51.36	431.48	5.03	-46.33
CSCC[C@H](NC(=O)C1C(C)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168487	1	53	-1.0	-51.33	431.54	5.05	-46.28
CSCC[C@H](NC(=O)C1=CC=CC=C1C1CC1)C1=N[N-]N=N1	REAL300020168488	0	40	-1.0	-47.26	341.39	6.15	-41.11
CSCC[C@H](NC(=O)C1=CC=CC=C1C1CC1)C1=NN=N[N-]1	REAL300020168488	1	40	-1.0	-47.26	341.44	6.16	-41.10
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL300020168489	0	44	-1.0	-49.56	380.65	5.50	-44.06
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL300020168489	1	44	-1.0	-49.60	380.59	5.49	-44.11
COC1(C(F)(F)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCCC1	REAL300020168490	0	46	-1.0	-43.19	371.64	5.19	-38.00
COC1(C(F)(F)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCCC1	REAL300020168490	1	46	-1.0	-43.19	371.70	5.20	-37.99
CSCC[C@H](NC(=O)C1(C2CCCO2)CCCO1)C1=N[N-]N=N1	REAL300020168491	0	45	-1.0	-48.34	366.09	3.54	-44.80
CSCC[C@H](NC(=O)C1(C2CCCO2)CCCO1)C1=NN=N[N-]1	REAL300020168491	1	45	-1.0	-48.33	366.15	3.55	-44.78
CSCC[C@H](NC(=O)C=CC1=NC=CS1)C1=N[N-]N=N1	REAL300020168492	0	33	-1.0	-45.28	319.70	2.62	-42.66
CSCC[C@H](NC(=O)C=CC1=NC=CS1)C1=NN=N[N-]1	REAL300020168492	1	33	-1.0	-45.30	319.76	2.64	-42.66
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020168493	0	37	-1.0	-47.71	343.98	5.38	-42.33
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020168493	1	37	-1.0	-47.72	344.04	5.39	-42.33
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020168494	0	40	-1.0	-47.01	346.98	4.14	-42.87
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020168494	1	40	-1.0	-47.05	347.04	4.16	-42.89
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CS1	REAL300020168495	0	34	-1.0	-51.48	318.71	3.48	-48.00
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CS1	REAL300020168495	1	34	-1.0	-51.49	318.76	3.50	-47.99
CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)C1=N[N-]N=N1	REAL300020168496	0	49	-1.0	-48.58	413.56	1.10	-47.48
CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)C1=NN=N[N-]1	REAL300020168496	1	49	-1.0	-48.52	413.62	1.11	-47.41
CSCC[C@H](NC(=O)CCC1=CN=CC(Br)=C1)C1=NN=N[N-]1	REAL300020168497	0	38	-1.0	-44.46	359.78	4.40	-40.06
CSCC[C@H](NC(=O)CCC1=CN=CC(Br)=C1)C1=N[N-]N=N1	REAL300020168497	1	38	-1.0	-44.42	359.73	4.39	-40.03
CSCC[C@H](NC(=O)C1C(F)(F)C12CCC2)C1=N[N-]N=N1	REAL300020168498	0	37	-1.0	-42.80	330.88	4.65	-38.15
CSCC[C@H](NC(=O)C1C(F)(F)C12CCC2)C1=NN=N[N-]1	REAL300020168498	1	37	-1.0	-42.81	330.94	4.66	-38.15
CSCC[C@H](NC(=O)C1=CC(F)=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300020168499	0	37	-1.0	-45.10	343.17	3.74	-41.36
CSCC[C@H](NC(=O)C1=CC(F)=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300020168499	1	37	-1.0	-45.11	343.23	3.75	-41.36
CCCCCCCCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020168500	0	57	-1.0	-46.46	469.41	10.20	-36.26
CCCCCCCCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020168500	1	57	-1.0	-46.47	469.46	10.22	-36.25
CSCC[C@H](NC(=O)C1C2CC1(C1=CC=CN=C1)CC2)C1=N[N-]N=N1	REAL300020168501	0	46	-1.0	-50.10	377.46	5.62	-44.48
CSCC[C@H](NC(=O)C1C2CC1(C1=CC=CN=C1)CC2)C1=NN=N[N-]1	REAL300020168501	1	46	-1.0	-50.06	377.52	5.64	-44.42
COCC1(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCC1	REAL300020168502	0	46	-1.0	-44.57	371.77	4.01	-40.56
COCC1(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCC1	REAL300020168502	1	46	-1.0	-44.57	371.83	4.02	-40.55
CSCC[C@H](NC(=O)C1=CC(C(C)(C)C)=CN=C1Cl)C1=NN=N[N-]1	REAL300020168503	0	44	-1.0	-46.41	381.75	5.06	-41.35
CSCC[C@H](NC(=O)C1=CC(C(C)(C)C)=CN=C1Cl)C1=N[N-]N=N1	REAL300020168503	1	44	-1.0	-46.46	381.69	5.04	-41.42
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C1=N[N-]N=N1	REAL300020168504	0	43	-1.0	-55.20	377.78	5.79	-49.41
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C1=NN=N[N-]1	REAL300020168504	1	43	-1.0	-55.24	377.84	5.81	-49.43
CSCC[C@H](NC(=O)C1=CC(C2=C(F)C=CC=C2F)=NO1)C1=NN=N[N-]1	REAL300020168505	0	39	-1.0	-46.99	364.04	5.19	-41.80
CSCC[C@H](NC(=O)C1=CC(C2=C(F)C=CC=C2F)=NO1)C1=N[N-]N=N1	REAL300020168505	1	39	-1.0	-46.97	363.98	5.17	-41.80
CSCC[C@H](NC(=O)C1=CC(NC(N)=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300020168506	0	39	-1.0	-54.00	359.37	0.67	-53.33
CSCC[C@H](NC(=O)C1=CC(NC(N)=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300020168506	1	39	-1.0	-54.03	359.42	0.68	-53.35
CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168507	0	50	-1.0	-49.65	422.92	-1.02	-50.67
CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168507	1	50	-1.0	-49.62	422.98	-1.01	-50.63
CSCC[C@H](NC(=O)C1=CC=CC(CCl)=C1)C1=N[N-]N=N1	REAL300020168508	0	36	-1.0	-48.43	336.07	5.35	-43.08
CSCC[C@H](NC(=O)C1=CC=CC(CCl)=C1)C1=NN=N[N-]1	REAL300020168508	1	36	-1.0	-48.44	336.13	5.37	-43.07
CSCC[C@H](NC(=O)CN1N=CC(C#N)=C1N)C1=NN=N[N-]1	REAL300020168509	0	36	-1.0	-52.81	338.27	1.47	-51.34
CSCC[C@H](NC(=O)CN1N=CC(C#N)=C1N)C1=N[N-]N=N1	REAL300020168509	1	36	-1.0	-52.76	338.21	1.45	-51.31
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCC(C)C1)C1=N[N-]N=N1	REAL300020168510	0	56	-1.0	-57.64	444.90	4.74	-52.90
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCC(C)C1)C1=NN=N[N-]1	REAL300020168510	1	56	-1.0	-57.63	444.96	4.76	-52.87
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCCCO1)C1=N[N-]N=N1	REAL300020168511	0	47	-1.0	-45.47	381.62	5.79	-39.68
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCCCO1)C1=NN=N[N-]1	REAL300020168511	1	47	-1.0	-45.46	381.68	5.80	-39.66
C#CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCCO1	REAL300020168512	0	42	-1.0	-45.05	345.90	4.17	-40.88
C#CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCCO1	REAL300020168512	1	42	-1.0	-45.04	345.96	4.17	-40.87
CSCC[C@H](NC(=O)C1=CC(C2CCOCC2)=NN1C)C1=N[N-]N=N1	REAL300020168513	0	47	-1.0	-44.17	392.50	3.18	-40.99
CSCC[C@H](NC(=O)C1=CC(C2CCOCC2)=NN1C)C1=NN=N[N-]1	REAL300020168513	1	47	-1.0	-44.21	392.55	3.20	-41.01
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2F)C=C1C)C1=NN=N[N-]1	REAL300020168514	0	43	-1.0	-54.94	381.88	6.09	-48.85
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2F)C=C1C)C1=N[N-]N=N1	REAL300020168514	1	43	-1.0	-54.98	381.82	6.07	-48.91
CSCC[C@H](NC(=O)C1=NN2C=CNC(=O)C2=C1)C1=N[N-]N=N1	REAL300020168515	0	36	-1.0	-56.12	333.46	0.74	-55.38
CSCC[C@H](NC(=O)C1=NN2C=CNC(=O)C2=C1)C1=NN=N[N-]1	REAL300020168515	1	36	-1.0	-56.10	333.52	0.76	-55.34
COC(=O)C1=CN=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020168516	0	41	-1.0	-46.35	357.95	3.51	-42.84
COC(=O)C1=CN=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020168516	1	41	-1.0	-46.37	358.01	3.52	-42.85
CCCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(=O)OC	REAL300020168517	0	41	-1.0	-46.66	357.97	3.79	-42.87
CCCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(=O)OC	REAL300020168517	1	41	-1.0	-46.63	358.03	3.80	-42.83
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2F)C(C)=C1)C1=N[N-]N=N1	REAL300020168518	0	43	-1.0	-55.70	385.94	5.83	-49.87
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2F)C(C)=C1)C1=NN=N[N-]1	REAL300020168518	1	43	-1.0	-55.67	386.00	5.84	-49.83
CSCC[C@H](NC(=O)C1CCC(NC(C)=O)CC1)C1=N[N-]N=N1	REAL300020168519	0	46	-1.0	-48.01	378.52	3.08	-44.93
CSCC[C@H](NC(=O)C1CCC(NC(C)=O)CC1)C1=NN=N[N-]1	REAL300020168519	1	46	-1.0	-48.01	378.58	3.09	-44.92
CSCC[C@H](NC(=O)C1=CC=C(C(=O)N(C)C)N=C1)C1=NN=N[N-]1	REAL300020168520	0	42	-1.0	-45.95	366.64	3.20	-42.75
CSCC[C@H](NC(=O)C1=CC=C(C(=O)N(C)C)N=C1)C1=N[N-]N=N1	REAL300020168520	1	42	-1.0	-45.98	366.58	3.19	-42.79
CSCC[C@H](NC(=O)C1=C(C)C(=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020168521	0	41	-1.0	-46.17	362.68	5.03	-41.14
CSCC[C@H](NC(=O)C1=C(C)C(=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020168521	1	41	-1.0	-46.18	362.74	5.05	-41.13
CNC(=O)NC1=CC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168522	0	42	-1.0	-54.14	381.30	2.12	-52.02
CNC(=O)NC1=CC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168522	1	42	-1.0	-54.08	381.35	2.13	-51.95
CSCC[C@H](NC(=O)C1=CC=C(C)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL300020168523	0	40	-1.0	-52.57	356.82	4.40	-48.17
CSCC[C@H](NC(=O)C1=CC=C(C)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL300020168523	1	40	-1.0	-52.54	356.87	4.42	-48.12
CSCC[C@H](NC(=O)CC1=NN(C)C=C1Br)C1=N[N-]N=N1	REAL300020168524	0	36	-1.0	-50.01	345.90	3.02	-46.99
CSCC[C@H](NC(=O)CC1=NN(C)C=C1Br)C1=NN=N[N-]1	REAL300020168524	1	36	-1.0	-50.05	345.95	3.03	-47.02
CSCC[C@H](NC(=O)C1CCC(C(F)(F)F)N1)C1=N[N-]N=N1	REAL300020168525	0	38	-1.0	-45.32	340.20	1.12	-44.20
CSCC[C@H](NC(=O)C1CCC(C(F)(F)F)N1)C1=NN=N[N-]1	REAL300020168525	1	38	-1.0	-45.33	340.25	1.13	-44.20
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC2=CC=CC=C21	REAL300020168526	0	42	-1.0	-46.94	372.29	6.86	-40.08
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC2=CC=CC=C21	REAL300020168526	1	42	-1.0	-46.93	372.35	6.88	-40.05
CSCC[C@H](NC(=O)[C@H](C)CC1CCCCC1)C1=N[N-]N=N1	REAL300020168527	0	48	-1.0	-45.31	380.20	6.26	-39.05
CSCC[C@H](NC(=O)[C@H](C)CC1CCCCC1)C1=NN=N[N-]1	REAL300020168527	1	48	-1.0	-45.34	380.25	6.28	-39.06
CSCC[C@H](NC(=O)C1=NN2C=CC=C(Br)C2=N1)C1=NN=N[N-]1	REAL300020168528	0	35	-1.0	-54.63	345.02	4.24	-50.39
CSCC[C@H](NC(=O)C1=NN2C=CC=C(Br)C2=N1)C1=N[N-]N=N1	REAL300020168528	1	35	-1.0	-54.70	344.96	4.23	-50.47
CSCC[C@H](NC(=O)COCC1=NOC(C)=C1)C1=N[N-]N=N1	REAL300020168529	0	39	-1.0	-49.78	352.82	3.32	-46.46
CSCC[C@H](NC(=O)COCC1=NOC(C)=C1)C1=NN=N[N-]1	REAL300020168529	1	39	-1.0	-49.77	352.88	3.33	-46.44
CSCCC(NC(=O)C1=CC2=CC=CC(C)=C2N=C1)C1=NN=N[N-]1	REAL300020168530	0	41	-1.0	-46.79	358.98	5.32	-41.47
CSCC[C@H](NC(=O)C1=CC2=CC=CC(C)=C2N=C1)C1=N[N-]N=N1	REAL300020168530	1	41	-1.0	-46.80	358.93	5.30	-41.50
CCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020168531	0	42	-1.0	-48.63	363.68	4.06	-44.57
CCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020168531	1	42	-1.0	-48.65	363.74	4.07	-44.58
CCCN1N=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020168532	0	42	-1.0	-46.55	361.42	3.94	-42.61
CCCN1N=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020168532	1	42	-1.0	-46.57	361.48	3.95	-42.62
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020168533	0	44	-1.0	-47.18	379.00	5.10	-42.08
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020168533	1	44	-1.0	-47.19	379.06	5.12	-42.07
CSCC[C@H](NC(=O)C1CCC(C(C)C)NC1=O)C1=N[N-]N=N1	REAL300020168534	0	46	-1.0	-48.86	372.56	2.41	-46.45
CSCC[C@H](NC(=O)C1CCC(C(C)C)NC1=O)C1=NN=N[N-]1	REAL300020168534	1	46	-1.0	-48.87	372.62	2.43	-46.44
CSCC[C@H](NC(=O)C#CC1CCCCC1)C1=N[N-]N=N1	REAL300020168535	0	41	-1.0	-45.61	353.17	5.71	-39.90
CSCC[C@H](NC(=O)C#CC1CCCCC1)C1=NN=N[N-]1	REAL300020168535	1	41	-1.0	-45.62	353.23	5.72	-39.90
CSCC[C@H](NC(=O)CNC1=NC=NC(Cl)=C1N)C1=NN=N[N-]1	REAL300020168536	0	38	-1.0	-42.95	353.60	0.87	-42.08
CSCC[C@H](NC(=O)CNC1=NC=NC(Cl)=C1N)C1=N[N-]N=N1	REAL300020168536	1	38	-1.0	-42.94	353.54	0.86	-42.08
CSCC[C@H](NC(=O)C1=C(C)C(C(F)(F)F)=NN1)C1=N[N-]N=N1	REAL300020168537	0	36	-1.0	-41.46	335.84	2.13	-39.33
CSCC[C@H](NC(=O)C1=C(C)C(C(F)(F)F)=NN1)C1=NN=N[N-]1	REAL300020168537	1	36	-1.0	-41.44	335.90	2.15	-39.29
CSCC[C@H](NC(=O)C1=C(Cl)C=NN1)C1=N[N-]N=N1	REAL300020168538	0	30	-1.0	-43.62	294.37	1.09	-42.53
CSCC[C@H](NC(=O)C1=C(Cl)C=NN1)C1=NN=N[N-]1	REAL300020168538	1	30	-1.0	-43.63	294.43	1.10	-42.53
CSCC[C@H](NC(=O)C(O)C1(O)CCC1)C1=N[N-]N=N1	REAL300020168539	0	38	-1.0	-43.95	327.69	-1.53	-45.48
CSCC[C@H](NC(=O)C(O)C1(O)CCC1)C1=NN=N[N-]1	REAL300020168539	1	38	-1.0	-43.98	327.74	-1.52	-45.50
CSCC[C@H](NC(=O)C1(CO)CCCO1)C1=N[N-]N=N1	REAL300020168540	0	38	-1.0	-46.63	327.50	-1.01	-47.64
CSCC[C@H](NC(=O)C1(CO)CCCO1)C1=NN=N[N-]1	REAL300020168540	1	38	-1.0	-46.65	327.55	-0.99	-47.64
CSCC[C@H](NC(=O)CC1=CC[N@H+](C)CC1)C1=N[N-]N=N1	REAL300020168541	0	43	0.0	-61.32	356.87	4.83	-56.49
CSCC[C@H](NC(=O)CC1=CC[N@@H+](C)CC1)C1=N[N-]N=N1	REAL300020168541	1	43	0.0	-58.78	356.88	4.82	-53.96
CSCC[C@H](NC(=O)CC1=CC[N@H+](C)CC1)C1=NN=N[N-]1	REAL300020168541	1	43	0.0	-61.31	356.92	4.84	-56.47
CSCC[C@H](NC(=O)CC1=CC[N@@H+](C)CC1)C1=NN=N[N-]1	REAL300020168541	1	43	0.0	-58.79	356.93	4.83	-53.96
CSCC[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168542	0	47	-1.0	-48.99	399.09	-0.52	-49.51
CSCC[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168542	1	47	-1.0	-48.98	399.14	-0.51	-49.49
CSCC[C@H](NC(=O)C(C)CN1C=CN=C1)C1=N[N-]N=N1	REAL300020168543	0	39	-1.0	-44.30	339.90	4.56	-39.74
CSCC[C@H](NC(=O)C(C)CN1C=CN=C1)C1=NN=N[N-]1	REAL300020168543	1	39	-1.0	-44.29	339.96	4.58	-39.71
CSCC[C@H](NC(=O)C1=CC=NC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL300020168544	0	39	-1.0	-49.91	349.35	4.13	-45.78
CSCC[C@H](NC(=O)C1=CC=NC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL300020168544	1	39	-1.0	-49.90	349.29	4.11	-45.79
CSCC[C@H](NC(=O)C1=CSC(C2=CNC=N2)=N1)C1=N[N-]N=N1	REAL300020168545	0	36	-1.0	-56.18	346.08	2.43	-53.75
CSCC[C@H](NC(=O)C1=CSC(C2=CNC=N2)=N1)C1=NN=N[N-]1	REAL300020168545	1	36	-1.0	-56.19	346.13	2.45	-53.74
CSCC[C@H](NC(=O)C1(S(N)(=O)=O)CCC1)C1=N[N-]N=N1	REAL300020168546	0	38	-1.0	-45.31	337.19	-1.80	-47.11
CSCC[C@H](NC(=O)C1(S(N)(=O)=O)CCC1)C1=NN=N[N-]1	REAL300020168546	1	38	-1.0	-45.31	337.25	-1.78	-47.09
CSCC[C@H](NC(=O)CC1=NC(C(F)(F)F)=CS1)C1=N[N-]N=N1	REAL300020168547	0	35	-1.0	-51.68	347.58	2.86	-48.82
CSCC[C@H](NC(=O)CC1=NC(C(F)(F)F)=CS1)C1=NN=N[N-]1	REAL300020168547	1	35	-1.0	-51.69	347.64	2.87	-48.82
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020168548	0	49	-1.0	-45.67	409.89	8.55	-37.12
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020168548	1	49	-1.0	-45.78	409.95	8.56	-37.22
CSCC[C@H](NC(=O)N1CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020168549	0	39	-1.0	-47.28	340.21	5.12	-42.16
CSCC[C@H](NC(=O)N1CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020168549	1	39	-1.0	-47.29	340.27	5.13	-42.16
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020168550	0	42	-1.0	-45.45	368.30	5.43	-40.02
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020168550	1	42	-1.0	-45.44	368.36	5.44	-40.00
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=C1	REAL300020168551	0	39	-1.0	-45.92	364.77	5.26	-40.66
COC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=C1	REAL300020168551	1	39	-1.0	-45.91	364.83	5.28	-40.63
CSCC[C@H](NC(=O)C(C)(C)C1CCCO1)C1=N[N-]N=N1	REAL300020168552	0	43	-1.0	-52.21	349.82	3.96	-48.25
CSCC[C@H](NC(=O)C(C)(C)C1CCCO1)C1=NN=N[N-]1	REAL300020168552	1	43	-1.0	-52.21	349.88	3.97	-48.24
CSCC[C@H](NC(=O)C1=C(C)C=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020168553	0	39	-1.0	-44.37	356.98	5.52	-38.85
CSCC[C@H](NC(=O)C1=C(C)C=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020168553	1	39	-1.0	-44.39	357.04	5.53	-38.86
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](NC(C)=O)CC1)C1=N[N-]N=N1	REAL300020168554	0	46	-1.0	-48.02	378.81	3.07	-44.95
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](NC(C)=O)CC1)C1=NN=N[N-]1	REAL300020168554	1	46	-1.0	-48.04	378.87	3.09	-44.95
CSCC[C@H](NC(=O)C1CC2(C1)CC1(CCC1)C2)C1=N[N-]N=N1	REAL300020168555	0	47	-1.0	-44.66	386.59	6.76	-37.90
CSCC[C@H](NC(=O)C1CC2(C1)CC1(CCC1)C2)C1=NN=N[N-]1	REAL300020168555	1	47	-1.0	-44.67	386.65	6.78	-37.89
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NC2=CC=NN21)C1=N[N-]N=N1	REAL300020168556	0	42	-1.0	-46.43	370.11	5.65	-40.78
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NC2=CC=NN21)C1=NN=N[N-]1	REAL300020168556	1	42	-1.0	-46.44	370.17	5.67	-40.77
CSCC[C@H](NC(=O)C1=CC=CC2=CC=NN21)C1=NN=N[N-]1	REAL300020168557	0	36	-1.0	-50.84	322.76	4.19	-46.65
CSCC[C@H](NC(=O)C1=CC=CC2=CC=NN21)C1=N[N-]N=N1	REAL300020168557	1	36	-1.0	-50.87	322.70	4.17	-46.70
CSCC[C@H](NC(=O)CON=C1CCCCCC1)C1=N[N-]N=N1	REAL300020168558	0	46	-1.0	-49.37	381.04	5.45	-43.92
CSCC[C@H](NC(=O)CON=C1CCCCCC1)C1=NN=N[N-]1	REAL300020168558	1	46	-1.0	-49.41	381.09	5.46	-43.95
CSCC[C@H](NC(=O)CC(N1CCOCC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020168559	0	45	-1.0	-43.63	375.56	1.37	-42.26
CSCC[C@H](NC(=O)CC(N1CCOCC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020168559	1	45	-1.0	-43.65	375.62	1.39	-42.26
COC(=O)C1(C)CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020168560	0	42	-1.0	-54.08	362.34	4.19	-49.89
COC(=O)C1(C)CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020168560	1	42	-1.0	-54.13	362.40	4.21	-49.92
CSCC[C@H](NC(=O)C1=C2SC=CC2=NC=C1)C1=NN=N[N-]1	REAL300020168561	0	35	-1.0	-47.95	327.38	3.60	-44.35
CSCC[C@H](NC(=O)C1=C2SC=CC2=NC=C1)C1=N[N-]N=N1	REAL300020168561	1	35	-1.0	-47.93	327.32	3.59	-44.34
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)N(C)CC2=C1)C1=N[N-]N=N1	REAL300020168562	0	43	-1.0	-48.62	371.85	3.27	-45.35
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)N(C)CC2=C1)C1=NN=N[N-]1	REAL300020168562	1	43	-1.0	-48.61	371.91	3.28	-45.33
CSCC[C@H](NC(=O)C1=COC2=C1COC2)C1=N[N-]N=N1	REAL300020168563	0	35	-1.0	-49.28	317.02	1.51	-47.77
CSCC[C@H](NC(=O)C1=COC2=C1COC2)C1=NN=N[N-]1	REAL300020168563	1	35	-1.0	-49.24	317.07	1.52	-47.72
CSCC[C@H](NC(=O)C1=C(C)SC(C)=C1Br)C1=N[N-]N=N1	REAL300020168564	0	36	-1.0	-45.52	354.07	4.97	-40.55
CSCC[C@H](NC(=O)C1=C(C)SC(C)=C1Br)C1=NN=N[N-]1	REAL300020168564	1	36	-1.0	-45.50	354.13	4.98	-40.52
CSCC[C@H](NC(=O)CC1=NN=CN1C(C)C)C1=N[N-]N=N1	REAL300020168565	0	41	-1.0	-57.86	358.02	4.92	-52.94
CSCC[C@H](NC(=O)CC1=NN=CN1C(C)C)C1=NN=N[N-]1	REAL300020168565	1	41	-1.0	-57.89	358.08	4.93	-52.96
C=CCC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168566	0	40	-1.0	-47.10	345.16	6.05	-41.05
C=CCC1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168566	1	40	-1.0	-47.13	345.22	6.07	-41.06
CSCCC(NC(=O)C12CCC(CC1)C2(C)C)C1=N[N-]N=N1	REAL300020168567	0	46	-1.0	-46.96	356.97	5.31	-41.65
CSCC[C@H](NC(=O)C12CCC(CC1)C2(C)C)C1=NN=N[N-]1	REAL300020168567	1	46	-1.0	-46.86	357.86	5.34	-41.52
CSCC[C@H](NC(=O)C1(C(C)(F)F)CCOCC1)C1=N[N-]N=N1	REAL300020168568	0	43	-1.0	-41.28	351.37	3.08	-38.20
CSCC[C@H](NC(=O)C1(C(C)(F)F)CCOCC1)C1=NN=N[N-]1	REAL300020168568	1	43	-1.0	-41.31	351.43	3.09	-38.22
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1N	REAL300020168569	0	41	-1.0	-44.01	366.28	2.25	-41.76
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1N	REAL300020168569	1	41	-1.0	-44.05	366.34	2.26	-41.79
CSCC[C@H](NC(=O)C1(C2CCCO2)CCC1)C1=N[N-]N=N1	REAL300020168570	0	44	-1.0	-51.15	356.96	5.00	-46.15
CSCC[C@H](NC(=O)C1(C2CCCO2)CCC1)C1=NN=N[N-]1	REAL300020168570	1	44	-1.0	-51.17	357.02	5.01	-46.16
CSCC[C@H](NC(=O)[C@]12CC(=O)N[C@H]1CCCC2)C1=N[N-]N=N1	REAL300020168571	0	44	-1.0	-54.37	360.58	1.78	-52.59
CSCC[C@H](NC(=O)[C@]12CC(=O)N[C@H]1CCCC2)C1=NN=N[N-]1	REAL300020168571	1	44	-1.0	-54.41	360.64	1.80	-52.61
CSCC[C@H](NC(=O)C1(C2CCCCO2)CCCO1)C1=N[N-]N=N1	REAL300020168572	0	48	-1.0	-47.88	385.77	4.09	-43.79
CSCC[C@H](NC(=O)C1(C2CCCCO2)CCCO1)C1=NN=N[N-]1	REAL300020168572	1	48	-1.0	-47.89	385.83	4.10	-43.79
CSCC[C@H](NC(=O)C(C1=CC=CC(C)=C1)C1CCCCC1)C1=N[N-]N=N1	REAL300020168573	0	55	-1.0	-47.26	439.73	8.90	-38.36
CSCC[C@H](NC(=O)C(C1=CC=CC(C)=C1)C1CCCCC1)C1=NN=N[N-]1	REAL300020168573	1	55	-1.0	-47.26	439.79	8.92	-38.34
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020168574	0	43	-1.0	-53.05	382.75	5.49	-47.56
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020168574	1	43	-1.0	-53.04	382.70	5.48	-47.56
CSCC[C@H](NC(=O)C1=C(S(C)(=O)=O)SC=C1)C1=N[N-]N=N1	REAL300020168575	0	36	-1.0	-48.29	344.46	1.58	-46.71
CSCC[C@H](NC(=O)C1=C(S(C)(=O)=O)SC=C1)C1=NN=N[N-]1	REAL300020168575	1	36	-1.0	-48.25	344.52	1.60	-46.65
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CSC=C1)C1=NN=N[N-]1	REAL300020168576	0	39	-1.0	-43.72	364.66	4.81	-38.91
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CSC=C1)C1=N[N-]N=N1	REAL300020168576	1	39	-1.0	-43.74	364.60	4.79	-38.95
CSCC[C@H](NC(=O)CC1=CC=C(Cl)C2=CC=CN=C12)C1=NN=N[N-]1	REAL300020168577	0	41	-1.0	-51.81	376.69	5.72	-46.09
CSCC[C@H](NC(=O)CC1=CC=C(Cl)C2=CC=CN=C12)C1=N[N-]N=N1	REAL300020168577	1	41	-1.0	-51.77	376.63	5.71	-46.06
CSCC[C@H](NC(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168578	0	51	-1.0	-44.05	418.23	1.24	-42.81
CSCC[C@H](NC(=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168578	1	51	-1.0	-44.05	418.29	1.26	-42.79
CSCC[C@H](NC(=O)C1=CC=C(C2CCC2)N=C1)C1=N[N-]N=N1	REAL300020168579	0	42	-1.0	-44.94	358.35	4.82	-40.12
CSCC[C@H](NC(=O)C1=CC=C(C2CCC2)N=C1)C1=NN=N[N-]1	REAL300020168579	1	42	-1.0	-44.93	358.41	4.84	-40.09
CSCC[C@H](NC(=O)CN1C=C(C#N)C=N1)C1=NN=N[N-]1	REAL300020168580	0	34	-1.0	-51.32	323.70	2.66	-48.66
CSCC[C@H](NC(=O)CN1C=C(C#N)C=N1)C1=N[N-]N=N1	REAL300020168580	1	34	-1.0	-51.32	323.64	2.64	-48.68
CSCC[C@H](NC(=O)C1=CN2C=C(C)N=C2S1)C1=N[N-]N=N1	REAL300020168581	0	36	-1.0	-44.22	339.49	4.56	-39.66
CSCC[C@H](NC(=O)C1=CN2C=C(C)N=C2S1)C1=NN=N[N-]1	REAL300020168581	1	36	-1.0	-44.28	339.55	4.57	-39.71
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020168582	0	42	-1.0	-44.42	374.24	6.51	-37.91
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020168582	1	42	-1.0	-44.42	374.29	6.52	-37.90
CSCC[C@H](NC(=O)C(O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020168583	0	37	-1.0	-43.64	346.99	3.32	-40.32
CSCC[C@H](NC(=O)C(O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020168583	1	37	-1.0	-43.65	347.05	3.33	-40.32
CSCC[C@H](NC(=O)C1CC2=CC(C)=CC=C2S1)C1=N[N-]N=N1	REAL300020168584	0	41	-1.0	-49.65	367.11	6.28	-43.37
CSCC[C@H](NC(=O)C1CC2=CC(C)=CC=C2S1)C1=NN=N[N-]1	REAL300020168584	1	41	-1.0	-49.70	367.17	6.29	-43.41
CSCC[C@H](NC(=O)CC1=CC=C(C2CCC2)C=C1)C1=N[N-]N=N1	REAL300020168585	0	46	-1.0	-46.94	387.92	7.35	-39.59
CSCC[C@H](NC(=O)CC1=CC=C(C2CCC2)C=C1)C1=NN=N[N-]1	REAL300020168585	1	46	-1.0	-46.95	387.97	7.36	-39.59
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)OC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020168586	0	39	-1.0	-49.38	368.25	5.46	-43.92
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)OC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020168586	1	39	-1.0	-49.38	368.30	5.48	-43.90
CSCC[C@H](NC(=O)C1=CC=NC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020168587	0	41	-1.0	-45.70	369.35	5.46	-40.24
CSCC[C@H](NC(=O)C1=CC=NC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020168587	1	41	-1.0	-45.72	369.29	5.45	-40.27
CSCC[C@H](NC(=O)C1=CC2=C(O)C=CC=C2C=C1)C1=N[N-]N=N1	REAL300020168588	0	40	-1.0	-50.38	353.59	3.58	-46.80
CSCC[C@H](NC(=O)C1=CC2=C(O)C=CC=C2C=C1)C1=NN=N[N-]1	REAL300020168588	1	40	-1.0	-50.36	353.64	3.60	-46.76
CSCC[C@H](NC(=O)C1CCC=CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168589	0	51	-1.0	-50.16	414.33	5.97	-44.19
CSCC[C@H](NC(=O)C1CCC=CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168589	1	51	-1.0	-50.14	414.39	5.99	-44.15
CSCC[C@H](NC(=O)C1C2OCCN(C(=O)OC(C)(C)C)C21)C1=N[N-]N=N1	REAL300020168590	0	52	-1.0	-49.67	429.57	3.26	-46.41
CSCC[C@H](NC(=O)C1C2OCCN(C(=O)OC(C)(C)C)C21)C1=NN=N[N-]1	REAL300020168590	1	52	-1.0	-49.66	429.62	3.27	-46.39
COC[C@@H](CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020168591	0	53	-1.0	-50.55	440.47	1.98	-48.57
COC[C@@H](CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020168591	1	53	-1.0	-50.55	440.53	2.00	-48.55
CSCC[C@H](NC(=O)C1=CN=C(C2CC2)C=C1C)C1=N[N-]N=N1	REAL300020168592	0	42	-1.0	-44.72	358.56	5.04	-39.68
CSCC[C@H](NC(=O)C1=CN=C(C2CC2)C=C1C)C1=NN=N[N-]1	REAL300020168592	1	42	-1.0	-44.69	358.62	5.06	-39.63
CSCC[C@H](NC(=O)C1=CC=C2CNC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020168593	0	40	-1.0	-52.43	351.84	1.17	-51.26
CSCC[C@H](NC(=O)C1=CC=C2CNC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020168593	1	40	-1.0	-52.46	351.89	1.18	-51.28
CSCC[C@H](NC(=O)C1C2CC1(C1=CC=CC=N1)CC2)C1=NN=N[N-]1	REAL300020168594	0	46	-1.0	-55.08	386.06	5.94	-49.14
CSCC[C@H](NC(=O)C1C2CC1(C1=CC=CC=N1)CC2)C1=N[N-]N=N1	REAL300020168594	1	46	-1.0	-55.09	386.00	5.93	-49.16
CSCC[C@H](NC(=O)C1C2CCCN(C(=O)OC(C)(C)C)C21)C1=N[N-]N=N1	REAL300020168595	0	54	-1.0	-46.92	438.07	5.62	-41.30
CSCC[C@H](NC(=O)C1C2CCCN(C(=O)OC(C)(C)C)C21)C1=NN=N[N-]1	REAL300020168595	1	54	-1.0	-46.91	438.13	5.63	-41.28
CSCC[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300020168596	0	50	-1.0	-42.14	408.33	3.87	-38.27
CSCC[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300020168596	1	50	-1.0	-42.11	408.38	3.88	-38.23
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1)C1=N[N-]N=N1	REAL300020168597	0	39	-1.0	-45.97	345.11	4.35	-41.62
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1)C1=NN=N[N-]1	REAL300020168597	1	39	-1.0	-45.93	345.17	4.37	-41.56
CSCC[C@H](NC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@H]1C)C1=N[N-]N=N1	REAL300020168598	0	56	-1.0	-49.37	447.36	5.08	-44.29
CSCC[C@H](NC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@H]1C)C1=NN=N[N-]1	REAL300020168598	1	56	-1.0	-49.40	447.41	5.10	-44.30
CSCC[C@H](NC(=O)C1=NN2C=C(Br)C=CC2=N1)C1=NN=N[N-]1	REAL300020168599	0	35	-1.0	-50.37	344.97	4.26	-46.11
CSCC[C@H](NC(=O)C1=NN2C=C(Br)C=CC2=N1)C1=N[N-]N=N1	REAL300020168599	1	35	-1.0	-50.38	344.91	4.25	-46.13
CSCC[C@H](NC(=O)C1=CSC(COC2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020168600	0	43	-1.0	-47.83	396.59	4.40	-43.43
CSCC[C@H](NC(=O)C1=CSC(COC2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020168600	1	43	-1.0	-47.82	396.65	4.42	-43.40
CSCC[C@H](NC(=O)CC(C)C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020168601	0	45	-1.0	-44.78	378.41	6.69	-38.09
CSCC[C@H](NC(=O)CC(C)C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020168601	1	45	-1.0	-44.76	378.47	6.70	-38.06
CSCC[C@H](NC(=O)C(F)(F)CC1CC1)C1=N[N-]N=N1	REAL300020168602	0	36	-1.0	-39.50	325.88	4.24	-35.26
CSCC[C@H](NC(=O)C(F)(F)CC1CC1)C1=NN=N[N-]1	REAL300020168602	1	36	-1.0	-39.50	325.93	4.26	-35.24
CSCC[C@H](NC(=O)C(F)(F)C1=CN=CS1)C1=NN=N[N-]1	REAL300020168603	0	32	-1.0	-43.82	318.26	2.17	-41.65
CSCC[C@H](NC(=O)C(F)(F)C1=CN=CS1)C1=N[N-]N=N1	REAL300020168603	1	32	-1.0	-43.81	318.20	2.15	-41.66
CSCC[C@H](NC(=O)C#CC12CC3CC(CC(C3)C1)C2)C1=N[N-]N=N1	REAL300020168604	0	49	-1.0	-45.66	393.44	7.37	-38.29
CSCC[C@H](NC(=O)C#CC12CC3CC(CC(C3)C1)C2)C1=NN=N[N-]1	REAL300020168604	1	49	-1.0	-45.65	393.49	7.40	-38.25
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C)=C(C)O2)C1=N[N-]N=N1	REAL300020168605	0	40	-1.0	-47.58	353.13	3.53	-44.05
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C)=C(C)O2)C1=NN=N[N-]1	REAL300020168605	1	40	-1.0	-47.53	353.18	3.55	-43.98
CSCC[C@H](NC(=O)C1=CC2=CC(C)=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL300020168606	0	40	-1.0	-43.73	366.61	5.11	-38.62
CSCC[C@H](NC(=O)C1=CC2=CC(C)=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL300020168606	1	40	-1.0	-43.70	366.67	5.13	-38.57
COC1=CC=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N(C)C2=C1	REAL300020168607	0	44	-1.0	-47.00	378.18	4.91	-42.09
COC1=CC=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N(C)C2=C1	REAL300020168607	1	44	-1.0	-47.00	378.24	4.92	-42.08
CSCC[C@H](NC(=O)C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020168608	0	37	-1.0	-55.52	355.78	4.96	-50.56
CSCC[C@H](NC(=O)C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020168608	1	37	-1.0	-55.56	355.72	4.94	-50.62
COC1=NOC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168609	0	36	-1.0	-49.12	330.09	0.36	-48.76
COC1=NOC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168609	1	36	-1.0	-49.14	330.15	0.37	-48.77
COCC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(=O)N1	REAL300020168610	0	39	-1.0	-54.02	349.21	0.33	-53.69
COCC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(=O)N1	REAL300020168610	1	39	-1.0	-53.99	349.27	0.35	-53.64
COCC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(=O)[N-]1	REAL300020168610	1	38	-2.0	-96.61	345.98	-0.75	-97.36
COCC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(=O)[N-]1	REAL300020168610	1	38	-2.0	-96.55	346.04	-0.74	-97.29
CSCC[C@H](NC(=O)C1=C(CC(N)=O)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020168611	0	44	-1.0	-49.57	386.66	1.49	-48.08
CSCC[C@H](NC(=O)C1=C(CC(N)=O)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020168611	1	44	-1.0	-49.57	386.72	1.51	-48.06
CSCC[C@H](NC(=O)C1=NN(C)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020168612	0	36	-1.0	-44.84	338.95	2.65	-42.19
CSCC[C@H](NC(=O)C1=NN(C)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020168612	1	36	-1.0	-44.88	338.90	2.64	-42.24
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C(C)O1	REAL300020168613	0	39	-1.0	-46.08	342.60	4.47	-41.61
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C(C)O1	REAL300020168613	1	39	-1.0	-46.09	342.65	4.48	-41.61
CSCC[C@H](NC(=O)C1=CN(C2CC2(F)F)N=C1)C1=NN=N[N-]1	REAL300020168614	0	37	-1.0	-48.84	342.60	3.45	-45.39
CSCC[C@H](NC(=O)C1=CN(C2CC2(F)F)N=C1)C1=N[N-]N=N1	REAL300020168614	1	37	-1.0	-48.81	342.54	3.44	-45.37
CSCC[C@H](NC(=O)C1=C2C(=CC=C1)N=NN2C)C1=NN=N[N-]1	REAL300020168615	0	38	-1.0	-45.09	336.59	2.34	-42.75
CSCC[C@H](NC(=O)C1=C2C(=CC=C1)N=NN2C)C1=N[N-]N=N1	REAL300020168615	1	38	-1.0	-45.12	336.53	2.32	-42.80
CSCC[C@H](NC(=O)C1=CC=C(Cl)N1)C1=N[N-]N=N1	REAL300020168616	0	31	-1.0	-43.28	301.71	2.28	-41.00
CSCC[C@H](NC(=O)C1=CC=C(Cl)N1)C1=NN=N[N-]1	REAL300020168616	1	31	-1.0	-43.28	301.77	2.29	-40.99
CSCC[C@H](NC(=O)COCCC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300020168617	0	40	-1.0	-47.88	385.40	5.64	-42.24
CSCC[C@H](NC(=O)COCCC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300020168617	1	40	-1.0	-47.92	385.46	5.65	-42.27
CCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C)O1	REAL300020168618	0	39	-1.0	-45.18	342.60	4.47	-40.71
CCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C)O1	REAL300020168618	1	39	-1.0	-45.13	342.65	4.48	-40.65
CSCC[C@H](NC(=O)C(C1=CC(C)=CC=C1C)C(C)C)C1=N[N-]N=N1	REAL300020168619	0	51	-1.0	-49.24	411.16	8.16	-41.08
CSCC[C@H](NC(=O)C(C1=CC(C)=CC=C1C)C(C)C)C1=NN=N[N-]1	REAL300020168619	1	51	-1.0	-49.22	411.22	8.18	-41.04
CCC(F)(F)C(C)(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168620	0	41	-1.0	-52.38	343.52	4.34	-48.04
CCC(F)(F)C(C)(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168620	1	41	-1.0	-52.41	343.58	4.35	-48.06
CSCC[C@H](NC(=O)C1=CN=C(C2CCOC2)S1)C1=N[N-]N=N1	REAL300020168621	0	40	-1.0	-45.16	361.81	2.05	-43.11
CSCC[C@H](NC(=O)C1=CN=C(C2CCOC2)S1)C1=NN=N[N-]1	REAL300020168621	1	40	-1.0	-45.19	361.86	2.06	-43.13
CSCC[C@H](NC(=O)C1(F)CCOC1C)C1=N[N-]N=N1	REAL300020168622	0	37	-1.0	-42.40	316.18	2.25	-40.15
CSCC[C@H](NC(=O)C1(F)CCOC1C)C1=NN=N[N-]1	REAL300020168622	1	37	-1.0	-42.40	316.26	2.25	-40.15
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=NN(C)C=C1)C1=N[N-]N=N1	REAL300020168623	0	40	-1.0	-50.96	354.91	3.87	-47.09
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=NN(C)C=C1)C1=NN=N[N-]1	REAL300020168623	1	40	-1.0	-50.94	354.97	3.89	-47.05
COC1=CN(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC1=O	REAL300020168624	0	40	-1.0	-49.26	347.37	3.32	-45.94
COC1=CN(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC1=O	REAL300020168624	1	40	-1.0	-49.28	347.42	3.34	-45.94
CSCC[C@H](NC(=O)C1CCCC2=C1NC=N2)C1=N[N-]N=N1	REAL300020168625	0	40	-1.0	-45.54	335.32	4.37	-41.17
CSCC[C@H](NC(=O)C1CCCC2=C1NC=N2)C1=NN=N[N-]1	REAL300020168625	1	40	-1.0	-45.50	335.37	4.38	-41.12
CSCC[C@H](NC(=O)C1CCN2N=CN=C2C1)C1=N[N-]N=N1	REAL300020168626	0	39	-1.0	-45.20	337.80	4.07	-41.13
CSCC[C@H](NC(=O)C1CCN2N=CN=C2C1)C1=NN=N[N-]1	REAL300020168626	1	39	-1.0	-45.17	337.86	4.09	-41.08
CSCC[C@H](NC(=O)CN1N=C(C(F)(F)F)C2=C1CCC2)C1=N[N-]N=N1	REAL300020168627	0	43	-1.0	-48.55	390.58	4.96	-43.59
CSCC[C@H](NC(=O)CN1N=C(C(F)(F)F)C2=C1CCC2)C1=NN=N[N-]1	REAL300020168627	1	43	-1.0	-48.51	390.63	4.97	-43.54
CSCC[C@H](NC(=O)C1=COC2=C1C(=O)NCC2)C1=N[N-]N=N1	REAL300020168628	0	38	-1.0	-65.39	337.51	2.10	-63.29
CSCC[C@H](NC(=O)C1=COC2=C1C(=O)NCC2)C1=NN=N[N-]1	REAL300020168628	1	38	-1.0	-65.41	337.56	2.12	-63.29
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(F)C=C2)=CS1)C1=N[N-]N=N1	REAL300020168629	0	40	-1.0	-46.79	371.94	6.63	-40.16
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(F)C=C2)=CS1)C1=NN=N[N-]1	REAL300020168629	1	40	-1.0	-46.77	372.00	6.64	-40.13
CSCC[C@H](NC(=O)C1=NOC(C2=NN(C)C=C2)=C1)C1=N[N-]N=N1	REAL300020168630	0	39	-1.0	-49.27	361.13	2.90	-46.37
CSCC[C@H](NC(=O)C1=NOC(C2=NN(C)C=C2)=C1)C1=NN=N[N-]1	REAL300020168630	1	39	-1.0	-49.25	361.19	2.91	-46.34
CSCC[C@H](NC(=O)COCCC1=CC=CS1)C1=N[N-]N=N1	REAL300020168631	0	40	-1.0	-48.49	368.36	5.02	-43.47
CSCC[C@H](NC(=O)COCCC1=CC=CS1)C1=NN=N[N-]1	REAL300020168631	1	40	-1.0	-48.49	368.42	5.04	-43.45
CSCC[C@H](NC(=O)CC1=C(C)C=C(Br)C=C1C)C1=N[N-]N=N1	REAL300020168632	0	42	-1.0	-45.97	377.54	6.40	-39.57
CSCC[C@H](NC(=O)CC1=C(C)C=C(Br)C=C1C)C1=NN=N[N-]1	REAL300020168632	1	42	-1.0	-46.00	377.60	6.41	-39.59
CSCC[C@H](NC(=O)C1=CN2C=CC=C(Br)C2=N1)C1=NN=N[N-]1	REAL300020168633	0	36	-1.0	-51.90	349.38	5.13	-46.77
CSCC[C@H](NC(=O)C1=CN2C=CC=C(Br)C2=N1)C1=N[N-]N=N1	REAL300020168633	1	36	-1.0	-51.89	349.32	5.11	-46.78
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1CCCOC1	REAL300020168634	0	44	-1.0	-52.13	366.02	2.77	-49.36
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1CCCOC1	REAL300020168634	1	44	-1.0	-52.14	366.08	2.79	-49.35
CSCC[C@H](NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)C1=N[N-]N=N1	REAL300020168635	0	47	-1.0	-48.12	387.05	7.51	-40.61
CSCC[C@H](NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)C1=NN=N[N-]1	REAL300020168635	1	47	-1.0	-48.10	387.10	7.53	-40.57
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C=CN2C)C1=N[N-]N=N1	REAL300020168636	0	40	-1.0	-51.50	351.16	5.85	-45.65
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C=CN2C)C1=NN=N[N-]1	REAL300020168636	1	40	-1.0	-51.47	351.21	5.87	-45.60
CSCC[C@H](NC(=O)C1=C(F)C=C2OC=CC2=C1)C1=N[N-]N=N1	REAL300020168637	0	36	-1.0	-50.12	329.40	4.51	-45.61
CSCC[C@H](NC(=O)C1=C(F)C=C2OC=CC2=C1)C1=NN=N[N-]1	REAL300020168637	1	36	-1.0	-50.14	329.45	4.52	-45.62
CCN1N=CC(Br)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168638	0	36	-1.0	-41.22	346.35	3.21	-38.01
CCN1N=CC(Br)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168638	1	36	-1.0	-41.17	346.29	3.19	-37.98
CCN1C=C(Br)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020168639	0	36	-1.0	-49.91	343.75	3.36	-46.55
CCN1C=C(Br)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020168639	1	36	-1.0	-49.92	343.70	3.35	-46.57
CSCC[C@H](NC(=O)[C@H]1CC[C@H](NC(C)=O)CC1)C1=N[N-]N=N1	REAL300020168640	0	46	-1.0	-50.06	383.27	2.67	-47.39
CSCC[C@H](NC(=O)[C@H]1CC[C@H](NC(C)=O)CC1)C1=NN=N[N-]1	REAL300020168640	1	46	-1.0	-49.99	383.32	2.68	-47.31
CSCC[C@H](NC(=O)C1=C(Cl)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020168641	0	40	-1.0	-47.67	371.45	5.53	-42.14
CSCC[C@H](NC(=O)C1=C(Cl)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020168641	1	40	-1.0	-47.69	371.40	5.52	-42.17
CCC(C)(C)CCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168642	0	47	-1.0	-45.27	374.60	5.52	-39.75
CCC(C)(C)CCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168642	1	47	-1.0	-45.32	374.66	5.53	-39.79
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020168643	0	43	-1.0	-45.80	371.49	6.79	-39.01
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020168643	1	43	-1.0	-45.81	371.55	6.80	-39.01
CSCC[C@H](NC(=O)C1=CC=C(C2CCCC(=O)N2)C=C1)C1=N[N-]N=N1	REAL300020168644	0	47	-1.0	-51.55	398.53	4.48	-47.07
CSCC[C@H](NC(=O)C1=CC=C(C2CCCC(=O)N2)C=C1)C1=NN=N[N-]1	REAL300020168644	1	47	-1.0	-51.57	398.59	4.49	-47.08
CSCC[C@H](NC(=O)CC1=CN(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020168645	0	46	-1.0	-49.19	406.47	6.43	-42.76
CSCC[C@H](NC(=O)CC1=CN(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020168645	1	46	-1.0	-49.22	406.41	6.42	-42.80
CSCC[C@H](NC(=O)C1=CC2=C(C)C(C)=NN=C2C=C1)C1=N[N-]N=N1	REAL300020168646	0	43	-1.0	-46.84	369.00	4.43	-42.41
CSCC[C@H](NC(=O)C1=CC2=C(C)C(C)=NN=C2C=C1)C1=NN=N[N-]1	REAL300020168646	1	43	-1.0	-46.87	369.06	4.45	-42.42
CSCC[C@H](NC(=O)C1CCCNS1(=O)=O)C1=N[N-]N=N1	REAL300020168647	0	38	-1.0	-50.23	338.86	-1.85	-52.08
CSCC[C@H](NC(=O)C1CCCNS1(=O)=O)C1=NN=N[N-]1	REAL300020168647	1	38	-1.0	-50.20	338.91	-1.84	-52.04
CSCC[C@H](NC(=O)C1=CC=C2OC(C)C(C)C2=C1)C1=N[N-]N=N1	REAL300020168648	0	44	-1.0	-46.67	370.93	5.20	-41.47
CSCC[C@H](NC(=O)C1=CC=C2OC(C)C(C)C2=C1)C1=NN=N[N-]1	REAL300020168648	1	44	-1.0	-46.65	370.99	5.21	-41.44
CSCC[C@H](NC(=O)C(F)(F)C1=CN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL300020168649	0	39	-1.0	-44.26	353.77	3.65	-40.61
CSCC[C@H](NC(=O)C(F)(F)C1=CN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL300020168649	1	39	-1.0	-44.28	353.82	3.67	-40.61
COC1=CC=C2C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CNC2=C1	REAL300020168650	0	44	-1.0	-52.64	383.49	4.11	-48.53
COC1=CC=C2C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CNC2=C1	REAL300020168650	1	44	-1.0	-52.61	383.55	4.12	-48.49
CCCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C)O1	REAL300020168651	0	42	-1.0	-44.75	364.09	5.25	-39.50
CCCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C)O1	REAL300020168651	1	42	-1.0	-44.75	364.15	5.26	-39.49
CSCC[C@H](NC(=O)C1=C2C(=CC=N1)C=CN2C)C1=NN=N[N-]1	REAL300020168652	0	39	-1.0	-53.49	346.17	3.62	-49.87
CSCC[C@H](NC(=O)C1=C2C(=CC=N1)C=CN2C)C1=N[N-]N=N1	REAL300020168652	1	39	-1.0	-53.45	346.11	3.60	-49.85
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1C)C1=N[N-]N=N1	REAL300020168653	0	56	-1.0	-50.48	432.72	4.08	-46.40
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCCC1C)C1=NN=N[N-]1	REAL300020168653	1	56	-1.0	-50.51	432.77	4.10	-46.41
CSCC[C@H](NC(=O)C1=C(C(C)C)ON=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168654	0	48	-1.0	-44.87	415.41	7.32	-37.55
CSCC[C@H](NC(=O)C1=C(C(C)C)ON=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168654	1	48	-1.0	-44.81	415.35	7.30	-37.51
CSCC[C@H](NC(=O)C(C1=CC=CC=C1C)C1CCCC1)C1=N[N-]N=N1	REAL300020168655	0	52	-1.0	-49.26	416.36	8.51	-40.75
CSCC[C@H](NC(=O)C(C1=CC=CC=C1C)C1CCCC1)C1=NN=N[N-]1	REAL300020168655	1	52	-1.0	-49.33	416.41	8.52	-40.81
CSCC[C@H](NC(=O)C1=C(C2CCC2)OC=N1)C1=NN=N[N-]1	REAL300020168656	0	39	-1.0	-47.03	342.31	1.62	-45.41
CSCC[C@H](NC(=O)C1=C(C2CCC2)OC=N1)C1=N[N-]N=N1	REAL300020168656	1	39	-1.0	-47.00	342.25	1.61	-45.39
CSCC[C@H](NC(=O)CCC1=C2CCCCC2=NN1)C1=N[N-]N=N1	REAL300020168657	0	46	-1.0	-46.19	386.19	4.30	-41.89
CSCC[C@H](NC(=O)CCC1=C2CCCCC2=NN1)C1=NN=N[N-]1	REAL300020168657	1	46	-1.0	-46.19	386.25	4.32	-41.87
CSCC[C@H](NC(=O)C1=C(F)C2=CC=CN=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300020168658	0	38	-1.0	-48.68	358.42	5.15	-43.53
CSCC[C@H](NC(=O)C1=C(F)C2=CC=CN=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300020168658	1	38	-1.0	-48.68	358.36	5.13	-43.55
CSCC[C@H](NC(=O)C=CC1=CC=C(C(F)F)O1)C1=N[N-]N=N1	REAL300020168659	0	37	-1.0	-45.37	349.75	4.59	-40.78
CSCC[C@H](NC(=O)C=CC1=CC=C(C(F)F)O1)C1=NN=N[N-]1	REAL300020168659	1	37	-1.0	-45.39	349.81	4.61	-40.78
CSCC[C@H](NC(=O)CCC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL300020168660	0	38	-1.0	-46.56	355.32	4.22	-42.34
CSCC[C@H](NC(=O)CCC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL300020168660	1	38	-1.0	-46.55	355.27	4.21	-42.34
CSCC[C@H](NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020168661	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	REAL300020168661	1	44	-1.0	-45.15	369.03	4.59	-40.56
CSCC[C@H](NC(=O)C1=CC=CC(OC(F)(F)F)=C1C)C1=N[N-]N=N1	REAL300020168662	0	40	-1.0	-44.00	358.08	4.64	-39.36
CSCC[C@H](NC(=O)C1=CC=CC(OC(F)(F)F)=C1C)C1=NN=N[N-]1	REAL300020168662	1	40	-1.0	-44.00	358.13	4.66	-39.34
CSCC[C@H](NC(=O)C=C1CCCC(C(F)(F)F)C1)C1=N[N-]N=N1	REAL300020168663	0	43	-1.0	-43.99	370.24	5.81	-38.18
CSCC[C@H](NC(=O)C=C1CCCC(C(F)(F)F)C1)C1=NN=N[N-]1	REAL300020168663	1	43	-1.0	-44.00	370.29	5.83	-38.17
CSCC[C@H](NC(=O)C=C1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL300020168664	0	48	-1.0	-46.40	373.96	6.61	-39.79
CSCC[C@H](NC(=O)C=C1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL300020168664	1	48	-1.0	-46.44	374.01	6.62	-39.82
CSCC[C@H](NC(=O)C=C(C)C1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020168665	0	42	-1.0	-45.15	380.26	6.75	-38.40
CSCC[C@H](NC(=O)C=C(C)C1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020168665	1	42	-1.0	-45.12	380.32	6.76	-38.36
CSCC[C@H](NC(=O)C(C)=CC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020168666	0	42	-1.0	-47.01	373.71	6.55	-40.46
CSCC[C@H](NC(=O)C(C)=CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020168666	1	42	-1.0	-46.97	373.77	6.57	-40.40
CCCCCCCCCC=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168667	0	54	-1.0	-45.08	447.30	8.61	-36.47
CCCCCCCCCC=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168667	1	54	-1.0	-45.09	447.35	8.63	-36.46
CSCC[C@H](NC(=O)C1=NC=C(Br)C=C1C)C1=NN=N[N-]1	REAL300020168668	0	35	-1.0	-42.97	332.18	3.66	-39.31
CSCC[C@H](NC(=O)C1=NC=C(Br)C=C1C)C1=N[N-]N=N1	REAL300020168668	1	35	-1.0	-42.97	332.12	3.64	-39.33
CSCC[C@H](NC(=O)C(C)C1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020168669	0	42	-1.0	-45.40	376.83	6.30	-39.10
CSCC[C@H](NC(=O)C(C)C1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020168669	1	42	-1.0	-45.44	376.89	6.32	-39.12
CSCC[C@H](NC(=O)C1CCCC12CCOCC2)C1=N[N-]N=N1	REAL300020168670	0	47	-1.0	-49.50	367.65	4.00	-45.50
CSCC[C@H](NC(=O)C1CCCC12CCOCC2)C1=NN=N[N-]1	REAL300020168670	1	47	-1.0	-49.49	367.72	4.01	-45.48
COC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020168671	0	39	-1.0	-43.88	362.32	1.91	-41.97
COC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020168671	1	39	-1.0	-43.86	362.27	1.89	-41.97
CSCC[C@H](NC(=O)C1=CC2=NC=CC=C2N=C1)C1=NN=N[N-]1	REAL300020168672	0	37	-1.0	-49.47	333.91	2.60	-46.87
CSCC[C@H](NC(=O)C1=CC2=NC=CC=C2N=C1)C1=N[N-]N=N1	REAL300020168672	1	37	-1.0	-49.47	333.85	2.58	-46.89
CSCC[C@H](NC(=O)C1=CN(CC2CC(=O)C2)N=N1)C1=NN=N[N-]1	REAL300020168673	0	41	-1.0	-53.05	370.89	2.42	-50.63
CSCC[C@H](NC(=O)C1=CN(CC2CC(=O)C2)N=N1)C1=N[N-]N=N1	REAL300020168673	1	41	-1.0	-53.01	370.83	2.40	-50.61
CSCC[C@H](NC(=O)C1=C(C(C)C)C=NN1C)C1=NN=N[N-]1	REAL300020168674	0	42	-1.0	-44.26	365.87	3.70	-40.56
CSCC[C@H](NC(=O)C1=C(C(C)C)C=NN1C)C1=N[N-]N=N1	REAL300020168674	1	42	-1.0	-44.23	365.81	3.68	-40.55
CSCC[C@H](NC(=O)C1=NN2C(=C1)N=CC=C2C(F)F)C1=N[N-]N=N1	REAL300020168675	0	38	-1.0	-51.82	356.40	3.65	-48.17
CSCC[C@H](NC(=O)C1=NN2C(=C1)N=CC=C2C(F)F)C1=NN=N[N-]1	REAL300020168675	1	38	-1.0	-51.79	356.45	3.67	-48.12
CSCC[C@H](NC(=O)C1=CSC2=NC=CN12)C1=NN=N[N-]1	REAL300020168676	0	33	-1.0	-43.87	311.55	3.75	-40.12
CSCC[C@H](NC(=O)C1=CSC2=NC=CN12)C1=N[N-]N=N1	REAL300020168676	1	33	-1.0	-43.84	311.49	3.73	-40.11
CSCC[C@H](NC(=O)C1=CC=C(C2(C)CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300020168677	0	43	-1.0	-47.30	375.33	6.69	-40.61
CSCC[C@H](NC(=O)C1=CC=C(C2(C)CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300020168677	1	43	-1.0	-47.32	375.39	6.70	-40.62
CSCC[C@H](NC(=O)CC1=CC2=CC=CN=C2C=C1)C1=NN=N[N-]1	REAL300020168678	0	41	-1.0	-49.94	363.34	5.14	-44.80
CSCC[C@H](NC(=O)CC1=CC2=CC=CN=C2C=C1)C1=N[N-]N=N1	REAL300020168678	1	41	-1.0	-49.93	363.28	5.12	-44.81
CSCC[C@H](NC(=O)C1=CN=C(C2CCC2)NC1=O)C1=N[N-]N=N1	REAL300020168679	0	42	-1.0	-52.44	363.27	3.24	-49.20
CSCC[C@H](NC(=O)C1=CN=C(C2CCC2)NC1=O)C1=NN=N[N-]1	REAL300020168679	1	42	-1.0	-52.39	363.33	3.25	-49.14
CSCC[C@H](NC(=O)C(SC)C(C)C)C1=N[N-]N=N1	REAL300020168680	0	39	-1.0	-44.38	335.30	3.94	-40.44
CSCC[C@H](NC(=O)C(SC)C(C)C)C1=NN=N[N-]1	REAL300020168680	1	39	-1.0	-44.37	335.36	3.95	-40.42
CSCC[C@H](NC(=O)C1=CN=C(C(N)=O)C=N1)C1=NN=N[N-]1	REAL300020168681	0	35	-1.0	-43.28	326.64	-2.65	-45.93
CSCC[C@H](NC(=O)C1=CN=C(C(N)=O)C=N1)C1=N[N-]N=N1	REAL300020168681	1	35	-1.0	-43.26	326.58	-2.66	-45.92
CSCC[C@H](NC(=O)C1=CC(C2CCC2)=NN1C)C1=N[N-]N=N1	REAL300020168682	0	43	-1.0	-43.43	365.27	4.35	-39.08
CSCC[C@H](NC(=O)C1=CC(C2CCC2)=NN1C)C1=NN=N[N-]1	REAL300020168682	1	43	-1.0	-43.42	365.33	4.37	-39.05
CSCC[C@H](NC(=O)C1=CC2=C(C=C(Cl)S2)S1)C1=N[N-]N=N1	REAL300020168683	0	33	-1.0	-42.72	343.83	5.21	-37.51
CSCC[C@H](NC(=O)C1=CC2=C(C=C(Cl)S2)S1)C1=NN=N[N-]1	REAL300020168683	1	33	-1.0	-42.68	343.89	5.22	-37.46
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2)N=C1Cl)C1=N[N-]N=N1	REAL300020168684	0	42	-1.0	-47.98	368.23	5.22	-42.76
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2)N=C1Cl)C1=NN=N[N-]1	REAL300020168684	1	42	-1.0	-47.93	368.28	5.23	-42.70
CSCC[C@H](NC(=O)C1=CC(C)=NC(C)=C1)C1=N[N-]N=N1	REAL300020168685	0	38	-1.0	-45.14	335.94	3.53	-41.61
CSCC[C@H](NC(=O)C1=CC(C)=NC(C)=C1)C1=NN=N[N-]1	REAL300020168685	1	38	-1.0	-45.15	335.99	3.55	-41.60
COC(=O)C1CC2(CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C2)C1	REAL300020168686	0	46	-1.0	-48.47	392.51	5.57	-42.90
COC(=O)C1CC2(CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C2)C1	REAL300020168686	1	46	-1.0	-48.48	392.56	5.59	-42.89
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020168687	0	36	-1.0	-41.54	349.34	5.50	-36.04
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020168687	1	36	-1.0	-41.53	349.40	5.51	-36.02
CSCC[C@H](NC(=O)C1=CC(NC(C)=O)=CN=C1C)C1=N[N-]N=N1	REAL300020168688	0	42	-1.0	-50.43	365.06	1.86	-48.57
CSCC[C@H](NC(=O)C1=CC(NC(C)=O)=CN=C1C)C1=NN=N[N-]1	REAL300020168688	1	42	-1.0	-50.45	365.11	1.88	-48.57
CSCC[C@H](NC(=O)[C@]1(F)C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168689	0	40	-1.0	-42.02	354.96	6.11	-35.91
CSCC[C@H](NC(=O)[C@]1(F)C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168689	1	40	-1.0	-42.05	355.02	6.13	-35.92
CSCC[C@H](NC(=O)CC1=CN=C2C(C)CCCN12)C1=N[N-]N=N1	REAL300020168690	0	46	-1.0	-54.74	385.38	5.31	-49.43
CSCC[C@H](NC(=O)CC1=CN=C2C(C)CCCN12)C1=NN=N[N-]1	REAL300020168690	1	46	-1.0	-54.74	385.43	5.32	-49.42
CSCC[C@H](NC(=O)C1=C2N=C(C)C=C(C)N2C=C1)C1=N[N-]N=N1	REAL300020168691	0	42	-1.0	-62.33	368.07	5.95	-56.38
CSCC[C@H](NC(=O)C1=C2N=C(C)C=C(C)N2C=C1)C1=NN=N[N-]1	REAL300020168691	1	42	-1.0	-62.35	368.13	5.97	-56.38
CSCC[C@H](NC(=O)C(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020168692	0	39	-1.0	-47.41	344.47	5.38	-42.03
CSCC[C@H](NC(=O)C(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020168692	1	39	-1.0	-47.41	344.53	5.40	-42.01
CSCC[C@H](NC(=O)C1=C(C(C)C)SC(Cl)=N1)C1=NN=N[N-]1	REAL300020168693	0	38	-1.0	-44.49	359.74	3.76	-40.73
CSCC[C@H](NC(=O)C1=C(C(C)C)SC(Cl)=N1)C1=N[N-]N=N1	REAL300020168693	1	38	-1.0	-44.51	359.68	3.74	-40.77
CSCC[C@H](NC(=O)CCC1=CC=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020168694	0	45	-1.0	-47.93	394.31	2.79	-45.14
CSCC[C@H](NC(=O)CCC1=CC=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020168694	1	45	-1.0	-47.91	394.37	2.80	-45.11
CSCC[C@H](NC(=O)CSCCC(F)(F)F)C1=N[N-]N=N1	REAL300020168695	0	36	-1.0	-45.98	346.31	4.29	-41.69
CSCC[C@H](NC(=O)CSCCC(F)(F)F)C1=NN=N[N-]1	REAL300020168695	1	36	-1.0	-46.01	346.36	4.30	-41.71
CSCC[C@H](NC(=O)C1CCCC2=NC=NN21)C1=N[N-]N=N1	REAL300020168696	0	39	-1.0	-45.16	335.99	4.48	-40.68
CSCC[C@H](NC(=O)C1CCCC2=NC=NN21)C1=NN=N[N-]1	REAL300020168696	1	39	-1.0	-45.19	336.05	4.49	-40.70
CSCC[C@H](NC(=O)C(C)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168697	0	52	-1.0	-47.34	426.33	2.84	-44.50
CSCC[C@H](NC(=O)C(C)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168697	1	52	-1.0	-47.37	426.39	2.86	-44.51
CSCC[C@H](NC(=O)CC[C@H]1CCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168698	0	56	-1.0	-57.51	448.65	5.52	-51.99
CSCC[C@H](NC(=O)CC[C@H]1CCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168698	1	56	-1.0	-57.50	448.71	5.53	-51.97
CSCC[C@H](NC(=O)C1=C2C=CC=CN2N=C1N)C1=NN=N[N-]1	REAL300020168699	0	38	-1.0	-51.85	344.48	2.66	-49.19
CSCC[C@H](NC(=O)C1=C2C=CC=CN2N=C1N)C1=N[N-]N=N1	REAL300020168699	1	38	-1.0	-51.81	344.43	2.64	-49.17
CSCC[C@H](NC(=O)C12CCC(CC1=O)C2)C1=N[N-]N=N1	REAL300020168700	0	39	-1.0	-53.68	333.42	3.66	-50.02
CSCC[C@H](NC(=O)C12CCC(CC1=O)C2)C1=NN=N[N-]1	REAL300020168700	1	39	-1.0	-53.72	333.47	3.67	-50.05
CSCC[C@H](NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168701	0	49	-1.0	-50.89	400.44	4.08	-46.81
CSCC[C@H](NC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168701	1	49	-1.0	-50.85	400.49	4.09	-46.76
CSCC[C@H](NC(=O)CC1(O)CCCOC1)C1=N[N-]N=N1	REAL300020168702	0	41	-1.0	-45.69	338.30	0.96	-44.73
CSCC[C@H](NC(=O)CC1(O)CCCOC1)C1=NN=N[N-]1	REAL300020168702	1	41	-1.0	-45.67	338.36	0.97	-44.70
CSCC[C@H](NC(=O)CON1C(=O)C2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020168703	0	41	-1.0	-58.30	381.52	4.88	-53.42
CSCC[C@H](NC(=O)CON1C(=O)C2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020168703	1	41	-1.0	-58.29	381.58	4.89	-53.40
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1)C1=N[N-]N=N1	REAL300020168704	0	42	-1.0	-68.22	370.53	3.76	-64.46
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1)C1=NN=N[N-]1	REAL300020168704	1	42	-1.0	-68.24	370.59	3.77	-64.47
CSCC[C@H](NC(=O)C1CCCC2=C1N(C)N=N2)C1=N[N-]N=N1	REAL300020168705	0	42	-1.0	-49.71	354.28	2.52	-47.19
CSCC[C@H](NC(=O)C1CCCC2=C1N(C)N=N2)C1=NN=N[N-]1	REAL300020168705	1	42	-1.0	-49.69	354.33	2.54	-47.15
CSCC[C@H](NC(=O)C1=NC(Br)=CS1)C1=NN=N[N-]1	REAL300020168706	0	29	-1.0	-47.71	306.55	1.65	-46.06
CSCC[C@H](NC(=O)C1=NC(Br)=CS1)C1=N[N-]N=N1	REAL300020168706	1	29	-1.0	-47.70	306.49	1.64	-46.06
CSCC[C@H](NC(=O)C(F)(F)C1=NC=CN1C)C1=NN=N[N-]1	REAL300020168707	0	36	-1.0	-50.97	331.01	3.74	-47.23
CSCC[C@H](NC(=O)C(F)(F)C1=NC=CN1C)C1=N[N-]N=N1	REAL300020168707	1	36	-1.0	-50.99	330.95	3.73	-47.26
CSCC[C@H](NC(=O)C1(N(C)C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020168708	0	50	-1.0	-56.47	416.71	4.63	-51.84
CSCC[C@H](NC(=O)C1(N(C)C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020168708	1	50	-1.0	-56.43	416.77	4.64	-51.79
CSCC[C@H](NC(=O)C(C)(C)OCC(F)(F)F)C1=N[N-]N=N1	REAL300020168709	0	39	-1.0	-51.19	348.02	3.72	-47.47
CSCC[C@H](NC(=O)C(C)(C)OCC(F)(F)F)C1=NN=N[N-]1	REAL300020168709	1	39	-1.0	-51.18	348.08	3.74	-47.44
CSCC[C@H](NC(=O)[C@@H]1CCC[C@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300020168710	0	39	-1.0	-43.08	341.93	4.68	-38.40
CSCC[C@H](NC(=O)[C@@H]1CCC[C@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300020168710	1	39	-1.0	-43.10	341.99	4.70	-38.40
CSCC[C@H](NC(=O)C1=C(C)C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020168711	0	41	-1.0	-46.44	360.76	4.76	-41.68
CSCC[C@H](NC(=O)C1=C(C)C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020168711	1	41	-1.0	-46.43	360.70	4.75	-41.68
CSCC[C@H](NC(=O)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020168712	0	46	-1.0	-41.98	407.17	6.80	-35.18
CSCC[C@H](NC(=O)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020168712	1	46	-1.0	-41.94	407.23	6.82	-35.12
CSCC[C@H](NC(=O)C1=CC2=CC=C(Cl)C=C2OC1)C1=N[N-]N=N1	REAL300020168713	0	39	-1.0	-44.05	360.10	5.11	-38.94
CSCC[C@H](NC(=O)C1=CC2=CC=C(Cl)C=C2OC1)C1=NN=N[N-]1	REAL300020168713	1	39	-1.0	-44.06	360.16	5.13	-38.93
CCOC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1	REAL300020168714	0	42	-1.0	-49.61	367.03	3.34	-46.27
CCOC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1	REAL300020168714	1	42	-1.0	-49.61	367.09	3.36	-46.25
COCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCO1	REAL300020168715	0	41	-1.0	-46.37	349.78	1.35	-45.02
COCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCO1	REAL300020168715	1	41	-1.0	-46.35	349.84	1.37	-44.98
CSCC[C@H](NC(=O)C1=C(C)C=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020168716	0	41	-1.0	-53.93	361.66	4.95	-48.98
CSCC[C@H](NC(=O)C1=C(C)C=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020168716	1	41	-1.0	-53.97	361.61	4.94	-49.03
CSCC[C@H](NC(=O)C12CCC(CC1)C2(C)C)C1=N[N-]N=N1	REAL300020168717	0	46	-1.0	-46.88	357.80	5.32	-41.56
CSCC[C@H](NC(=O)C12CCC(CC1)C2(C)C)C1=NN=N[N-]1	REAL300020168717	1	46	-1.0	-46.86	357.86	5.34	-41.52
CSCC[C@H](NC(=O)C1CCCC1S(C)(=O)=O)C1=N[N-]N=N1	REAL300020168718	0	42	-1.0	-60.63	365.95	1.13	-59.50
CSCC[C@H](NC(=O)C1CCCC1S(C)(=O)=O)C1=NN=N[N-]1	REAL300020168718	1	42	-1.0	-60.66	366.00	1.14	-59.52
CSCC[C@H](NC(=O)C(O)C1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL300020168719	0	44	-1.0	-45.03	379.01	4.93	-40.10
CSCC[C@H](NC(=O)C(O)C1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL300020168719	1	44	-1.0	-45.08	379.06	4.94	-40.14
COC1=CC(F)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(F)=C1	REAL300020168720	0	37	-1.0	-49.77	343.22	3.33	-46.44
COC1=CC(F)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(F)=C1	REAL300020168720	1	37	-1.0	-49.76	343.28	3.34	-46.42
CSCC[C@H](NC(=O)C(C1=CC=CC=C1C)C1CCCCC1)C1=N[N-]N=N1	REAL300020168721	0	55	-1.0	-44.44	434.43	8.91	-35.53
CSCC[C@H](NC(=O)C(C1=CC=CC=C1C)C1CCCCC1)C1=NN=N[N-]1	REAL300020168721	1	55	-1.0	-44.47	434.48	8.92	-35.55
CSCC[C@H](NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1=NN=N[N-]1	REAL300020168722	0	53	0.0	-72.95	426.18	7.99	-64.96
CSCC[C@H](NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1=NN=N[N-]1	REAL300020168722	1	53	0.0	-72.25	427.10	8.03	-64.22
CSCC[C@H](NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1=N[N-]N=N1	REAL300020168722	1	53	0.0	-72.95	426.12	7.97	-64.98
CSCC[C@H](NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1=N[N-]N=N1	REAL300020168722	1	53	0.0	-72.25	427.04	8.01	-64.24
CSCC[C@H](NC(=O)C(C)(C)C1=NN(C)C=C1)C1=NN=N[N-]1	REAL300020168723	0	42	-1.0	-54.87	359.11	3.86	-51.01
CSCC[C@H](NC(=O)C(C)(C)C1=NN(C)C=C1)C1=N[N-]N=N1	REAL300020168723	1	42	-1.0	-54.91	359.06	3.85	-51.06
CCC1=NN(C)C(CC)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168724	0	45	-1.0	-49.83	386.45	4.21	-45.62
CCC1=NN(C)C(CC)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168724	1	45	-1.0	-49.84	386.51	4.22	-45.62
CSCC[C@H](NC(=O)CC1(O)CCOC1)C1=N[N-]N=N1	REAL300020168725	0	38	-1.0	-45.78	322.68	-0.20	-45.98
CSCC[C@H](NC(=O)CC1(O)CCOC1)C1=NN=N[N-]1	REAL300020168725	1	38	-1.0	-45.79	322.74	-0.18	-45.97
CSCC[C@H](NC(=O)C=CC(=O)NC1CC1)C1=N[N-]N=N1	REAL300020168726	0	38	-1.0	-45.38	345.64	1.62	-43.76
CSCC[C@H](NC(=O)C=CC(=O)NC1CC1)C1=NN=N[N-]1	REAL300020168726	1	38	-1.0	-45.34	345.70	1.64	-43.70
CSCC[C@H](NC(=O)C1CC2=CC(C)=CC=C2S1(=O)=O)C1=N[N-]N=N1	REAL300020168727	0	43	-1.0	-59.63	384.75	2.59	-57.04
CSCC[C@H](NC(=O)C1CC2=CC(C)=CC=C2S1(=O)=O)C1=NN=N[N-]1	REAL300020168727	1	43	-1.0	-59.58	384.81	2.60	-56.98
CSCC[C@H](NC(=O)C(C)N1C=C(C)C=N1)C1=NN=N[N-]1	REAL300020168728	0	39	-1.0	-52.33	342.82	3.37	-48.96
CSCC[C@H](NC(=O)C(C)N1C=C(C)C=N1)C1=N[N-]N=N1	REAL300020168728	1	39	-1.0	-52.30	342.76	3.35	-48.95
CSCC[C@H](NC(=O)C=CC1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL300020168729	0	36	-1.0	-46.61	333.36	3.45	-43.16
CSCC[C@H](NC(=O)C=CC1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL300020168729	1	36	-1.0	-46.61	333.42	3.46	-43.15
CSCC[C@H](NC(=O)CC(NC1CC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020168730	0	41	-1.0	-41.48	364.96	2.41	-39.07
CSCC[C@H](NC(=O)CC(NC1CC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020168730	1	41	-1.0	-41.48	365.02	2.43	-39.05
CSCC[C@H](NC(=O)C1CC[N@@H+]2CCOCC12)C1=NN=N[N-]1	REAL300020168731	0	44	0.0	-62.39	356.70	2.80	-59.59
CSCC[C@H](NC(=O)C1CC[N@H+]2CCOCC12)C1=NN=N[N-]1	REAL300020168731	1	44	0.0	-57.70	352.92	2.82	-54.88
CSCC[C@H](NC(=O)C1CC[N@@H+]2CCOCC12)C1=N[N-]N=N1	REAL300020168731	1	44	0.0	-62.41	356.64	2.78	-59.63
CSCC[C@H](NC(=O)C1CC[N@H+]2CCOCC12)C1=N[N-]N=N1	REAL300020168731	1	44	0.0	-57.66	352.86	2.82	-54.84
CSCC[C@H](NC(=O)C1=CC2=NC=NN2C=C1)C1=NN=N[N-]1	REAL300020168732	0	35	-1.0	-48.28	319.61	4.52	-43.76
CSCC[C@H](NC(=O)C1=CC2=NC=NN2C=C1)C1=N[N-]N=N1	REAL300020168732	1	35	-1.0	-48.31	319.56	4.50	-43.81
CSCC[C@H](NC(=O)C1(N2C=CN=N2)CC1)C1=NN=N[N-]1	REAL300020168733	0	36	-1.0	-41.63	328.15	1.96	-39.67
CSCC[C@H](NC(=O)C1(N2C=CN=N2)CC1)C1=N[N-]N=N1	REAL300020168733	1	36	-1.0	-41.67	328.09	1.94	-39.73
CSCC[C@H](NC(=O)C12CCC(CC1)CC2)C1=N[N-]N=N1	REAL300020168734	0	43	-1.0	-46.57	342.76	5.14	-41.43
CSCC[C@H](NC(=O)C12CCC(CC1)CC2)C1=NN=N[N-]1	REAL300020168734	1	43	-1.0	-46.61	342.82	5.16	-41.45
COC1=CC=CC=C1C1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NO1	REAL300020168735	0	43	-1.0	-47.16	380.93	4.61	-42.55
COC1=CC=CC=C1C1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NO1	REAL300020168735	1	43	-1.0	-47.15	380.87	4.60	-42.55
CSCC[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2)C1=N[N-]N=N1	REAL300020168736	0	41	-1.0	-49.65	331.48	2.81	-46.84
CSCC[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2)C1=NN=N[N-]1	REAL300020168736	1	41	-1.0	-49.67	331.54	2.82	-46.85
CSCC[C@H](NC(=O)C1=C(C)ON=C1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168737	0	45	-1.0	-43.12	402.26	6.65	-36.47
CSCC[C@H](NC(=O)C1=C(C)ON=C1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168737	1	45	-1.0	-43.13	402.31	6.67	-36.46
COC1=CC(C)=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NC2=C1	REAL300020168738	0	44	-1.0	-46.43	381.46	3.95	-42.48
COC1=CC(C)=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NC2=C1	REAL300020168738	1	44	-1.0	-46.43	381.52	3.98	-42.45
CSCC[C@H](NC(=O)C1=CC2=CC=C(Cl)C(F)=C2N1)C1=N[N-]N=N1	REAL300020168739	0	37	-1.0	-43.53	353.84	4.57	-38.96
CSCC[C@H](NC(=O)C1=CC2=CC=C(Cl)C(F)=C2N1)C1=NN=N[N-]1	REAL300020168739	1	37	-1.0	-43.53	353.90	4.59	-38.94
CSCC[C@H](NC(=O)C1=C2C=NN(C)C2=NC=N1)C1=NN=N[N-]1	REAL300020168740	0	37	-1.0	-44.04	336.78	3.03	-41.01
CSCC[C@H](NC(=O)C1=C2C=NN(C)C2=NC=N1)C1=N[N-]N=N1	REAL300020168740	1	37	-1.0	-44.01	336.73	3.01	-41.00
CSCC[C@H](NC(=O)C1=CC=C(C2(F)COC2)C=C1)C1=N[N-]N=N1	REAL300020168741	0	41	-1.0	-48.17	359.86	3.92	-44.25
CSCC[C@H](NC(=O)C1=CC=C(C2(F)COC2)C=C1)C1=NN=N[N-]1	REAL300020168741	1	41	-1.0	-48.18	359.92	3.94	-44.24
CSCC[C@H](NC(=O)C1=CC=NC2=C(Cl)C(C)=CC=C12)C1=N[N-]N=N1	REAL300020168742	0	41	-1.0	-45.71	368.31	5.65	-40.06
CSCC[C@H](NC(=O)C1=CC=NC2=C(Cl)C(C)=CC=C12)C1=NN=N[N-]1	REAL300020168742	1	41	-1.0	-45.69	368.36	5.66	-40.03
CSCC[C@H](NC(=O)C1CCOC2(CCOCC2)C1)C1=N[N-]N=N1	REAL300020168743	0	48	-1.0	-47.66	380.17	2.66	-45.00
CSCC[C@H](NC(=O)C1CCOC2(CCOCC2)C1)C1=NN=N[N-]1	REAL300020168743	1	48	-1.0	-47.68	380.22	2.67	-45.01
CSCC[C@H](NC(=O)C1=CC2=C(SC=C2)S1)C1=N[N-]N=N1	REAL300020168744	0	33	-1.0	-44.95	327.03	4.56	-40.39
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1Cl)C1=N[N-]N=N1	REAL300020168745	0	36	-1.0	-47.72	331.46	5.27	-42.45
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1Cl)C1=NN=N[N-]1	REAL300020168745	1	36	-1.0	-47.76	331.52	5.28	-42.48
COC1=NN2C(=NN=C2CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020168746	0	44	-1.0	-52.49	393.03	2.33	-50.16
COC1=NN2C(=NN=C2CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020168746	1	44	-1.0	-52.50	393.08	2.34	-50.16
CCC(CCOC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168747	0	42	-1.0	-45.86	354.42	2.70	-43.16
CCC(CCOC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168747	1	42	-1.0	-45.83	354.48	2.71	-43.12
CSCC[C@H](NC(=O)C1=CC(C)=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020168748	0	38	-2.0	-88.11	350.96	4.54	-83.57
CSCC[C@H](NC(=O)C1=CC(C)=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020168748	1	38	-2.0	-88.12	351.02	4.56	-83.56
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168749	0	55	-1.0	-44.89	442.74	3.87	-41.02
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168749	1	55	-1.0	-44.89	442.80	3.88	-41.01
CSCC[C@H](NC(=O)C1=C(C)N(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020168750	0	43	-1.0	-49.55	374.22	6.18	-43.37
CSCC[C@H](NC(=O)C1=C(C)N(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020168750	1	43	-1.0	-49.54	374.16	6.17	-43.37
CSCC[C@H]([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=N[N-]N=N1	REAL300020168751	0	32	-2.0	-99.61	329.15	-0.18	-99.79
CSCC[C@H]([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=NN=N[N-]1	REAL300020168751	1	32	-2.0	-99.60	329.21	-0.17	-99.77
CSCC[C@H](NC(=O)C1=CN=C(N)N=C1C)C1=N[N-]N=N1	REAL300020168752	0	36	-1.0	-44.05	319.15	2.13	-41.92
CSCC[C@H](NC(=O)C1=CN=C(N)N=C1C)C1=NN=N[N-]1	REAL300020168752	1	36	-1.0	-44.05	319.21	2.14	-41.91
CSCC[C@H](NC(=O)C1=CC=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL300020168753	0	33	-2.0	-104.03	315.54	2.15	-101.88
CSCC[C@H](NC(=O)C1=CC=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL300020168753	1	33	-2.0	-104.00	315.59	2.16	-101.84
CSCC[C@H](NC(=O)C1=CC=C(F)C(O)=C1F)C1=N[N-]N=N1	REAL300020168753	1	34	-1.0	-50.32	319.10	1.39	-48.93
CSCC[C@H](NC(=O)C1=CC=C(F)C(O)=C1F)C1=NN=N[N-]1	REAL300020168753	1	34	-1.0	-50.30	319.16	1.40	-48.90
CSCC[C@H](NC(=O)C1=COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020168754	0	37	-1.0	-51.33	333.85	4.77	-46.56
CSCC[C@H](NC(=O)C1=COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020168754	1	37	-1.0	-51.33	333.91	4.79	-46.54
CSCC[C@H](NC(=O)C1CC(=O)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020168755	0	40	-1.0	-47.70	356.67	4.88	-42.82
CSCC[C@H](NC(=O)C1CC(=O)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020168755	1	40	-1.0	-47.71	356.73	4.89	-42.82
CSCC[C@H](NC(=O)C1=C(C)SC(Br)=C1)C1=N[N-]N=N1	REAL300020168756	0	33	-1.0	-42.78	327.41	4.52	-38.26
CSCC[C@H](NC(=O)C1=C(C)SC(Br)=C1)C1=NN=N[N-]1	REAL300020168756	1	33	-1.0	-42.77	327.47	4.53	-38.24
COC1=CC(C)=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)OC2=C1	REAL300020168757	0	43	-1.0	-45.21	379.11	4.42	-40.79
COC1=CC(C)=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)OC2=C1	REAL300020168757	1	43	-1.0	-45.23	379.17	4.44	-40.79
CSCC[C@H](NC(=O)C#CC1(C)CCCO1)C1=N[N-]N=N1	REAL300020168758	0	39	-1.0	-47.14	345.93	3.22	-43.92
CSCC[C@H](NC(=O)C#CC1(C)CCCO1)C1=NN=N[N-]1	REAL300020168758	1	39	-1.0	-47.11	345.98	3.23	-43.88
CSCC[C@H](NC(=O)C1CSC(=O)N1)C1=N[N-]N=N1	REAL300020168759	0	32	-1.0	-49.98	303.87	-0.46	-50.44
CSCC[C@H](NC(=O)C1CSC(=O)N1)C1=NN=N[N-]1	REAL300020168759	1	32	-1.0	-49.97	303.92	-0.44	-50.41
CSCC[C@H](NC(=O)C1=CC2=CC=NC=C2C(=O)N1)C1=N[N-]N=N1	REAL300020168760	0	38	-1.0	-44.19	343.47	1.64	-42.55
CSCC[C@H](NC(=O)C1=CC2=CC=NC=C2C(=O)N1)C1=NN=N[N-]1	REAL300020168760	1	38	-1.0	-44.21	343.52	1.65	-42.56
CSCC[C@H](NC(=O)C1=CC(C(N)=O)=NN1)C1=N[N-]N=N1	REAL300020168761	0	34	-1.0	-47.62	317.86	-2.80	-50.42
CSCC[C@H](NC(=O)C1=NNC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020168761	1	34	-1.0	-51.83	317.86	-2.78	-54.61
CSCC[C@H](NC(=O)C1=CC(C(N)=O)=NN1)C1=NN=N[N-]1	REAL300020168761	1	34	-1.0	-47.61	317.92	-2.79	-50.40
CSCC[C@H](NC(=O)C1=NNC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020168761	1	34	-1.0	-51.85	317.92	-2.77	-54.62
CSCC[C@H](NC(=O)C1SCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168762	0	48	-1.0	-55.85	410.83	4.06	-51.79
CSCC[C@H](NC(=O)C1SCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168762	1	48	-1.0	-55.82	410.89	4.08	-51.74
CSCC[C@H](NC(=O)C(C(C)C)N1C=NN=C1)C1=NN=N[N-]1	REAL300020168763	0	41	-1.0	-49.44	346.66	5.27	-44.17
CSCC[C@H](NC(=O)C(C(C)C)N1C=NN=C1)C1=N[N-]N=N1	REAL300020168763	1	41	-1.0	-49.45	346.60	5.25	-44.20
CSCC[C@H](NC(=O)C(F)(F)C1(O)CCOCC1)C1=N[N-]N=N1	REAL300020168764	0	41	-1.0	-42.61	350.03	0.77	-41.84
CSCC[C@H](NC(=O)C(F)(F)C1(O)CCOCC1)C1=NN=N[N-]1	REAL300020168764	1	41	-1.0	-42.64	350.08	0.79	-41.85
CSCC[C@H](NC(=O)CS(=O)(=O)CCC(F)(F)F)C1=N[N-]N=N1	REAL300020168765	0	38	-1.0	-59.43	364.77	0.85	-58.58
CSCC[C@H](NC(=O)CS(=O)(=O)CCC(F)(F)F)C1=NN=N[N-]1	REAL300020168765	1	38	-1.0	-59.39	364.83	0.87	-58.52
CSCC[C@H](NC(=O)C1=CC=C2NC(N(C)C)=NC2=C1)C1=N[N-]N=N1	REAL300020168766	0	44	-1.0	-54.54	379.19	5.93	-48.61
CSCC[C@H](NC(=O)C1=CC=C2NC(N(C)C)=NC2=C1)C1=NN=N[N-]1	REAL300020168766	1	44	-1.0	-54.58	379.25	5.95	-48.63
CSCC[C@H](NC(=O)C1=CC(Cl)=C([O-])C=C1C)C1=N[N-]N=N1	REAL300020168767	0	36	-2.0	-88.59	337.00	3.25	-85.34
CSCC[C@H](NC(=O)C1=CC(Cl)=C([O-])C=C1C)C1=NN=N[N-]1	REAL300020168767	1	36	-2.0	-88.65	337.05	3.27	-85.38
CSCC[C@H](NC(=O)C1=CC(Cl)=C(O)C=C1C)C1=N[N-]N=N1	REAL300020168767	1	37	-1.0	-43.81	340.55	2.48	-41.33
CSCC[C@H](NC(=O)C1=CC(Cl)=C(O)C=C1C)C1=NN=N[N-]1	REAL300020168767	1	37	-1.0	-43.79	340.60	2.49	-41.30
CSCC[C@H](NC(=O)CC1CC(O)C1(C)C)C1=N[N-]N=N1	REAL300020168768	0	43	-1.0	-46.24	357.27	1.53	-44.71
CSCC[C@H](NC(=O)CC1CC(O)C1(C)C)C1=NN=N[N-]1	REAL300020168768	1	43	-1.0	-46.23	357.33	1.54	-44.69
CSCC[C@H](NC(=O)C1=CC(=O)NC2=NC=CC=C12)C1=N[N-]N=N1	REAL300020168769	0	38	-1.0	-44.48	339.54	2.28	-42.20
CSCC[C@H](NC(=O)C1=CC(=O)NC2=NC=CC=C12)C1=NN=N[N-]1	REAL300020168769	1	38	-1.0	-44.44	339.59	2.29	-42.15
CSCC[C@H](NC(=O)C1=C(Cl)C=CC2=CNN=C21)C1=N[N-]N=N1	REAL300020168770	0	36	-1.0	-61.03	344.08	3.12	-57.91
CSCC[C@H](NC(=O)C1=C(Cl)C=CC2=CNN=C21)C1=NN=N[N-]1	REAL300020168770	1	36	-1.0	-61.02	344.14	3.14	-57.88
CSCC[C@H](NC(=O)C1=CC2(C1)CCOC2)C1=N[N-]N=N1	REAL300020168771	0	39	-1.0	-46.09	338.09	2.88	-43.21
CSCC[C@H](NC(=O)C1=CC2(C1)CCOC2)C1=NN=N[N-]1	REAL300020168771	1	39	-1.0	-46.04	338.14	2.89	-43.15
CSCC[C@H](NC(=O)C1=C(Br)N2C=CC=CC2=N1)C1=NN=N[N-]1	REAL300020168772	0	36	-1.0	-51.21	346.56	5.04	-46.17
CSCC[C@H](NC(=O)C1=C(Br)N2C=CC=CC2=N1)C1=N[N-]N=N1	REAL300020168772	1	36	-1.0	-51.21	346.51	5.03	-46.18
CSCC[C@H](NC(=O)C1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL300020168773	0	37	-1.0	-49.04	339.57	1.33	-47.71
CSCC[C@H](NC(=O)C1=NC2=C(COCC2)S1)C1=NN=N[N-]1	REAL300020168773	1	37	-1.0	-49.04	339.63	1.35	-47.69
CSCC[C@H](NC(=O)C1=CC=NN1CCF)C1=NN=N[N-]1	REAL300020168774	0	36	-1.0	-44.52	326.28	2.82	-41.70
CSCC[C@H](NC(=O)C1=CC=NN1CCF)C1=N[N-]N=N1	REAL300020168774	1	36	-1.0	-44.48	326.21	2.81	-41.67
CCC(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020168775	0	48	-1.0	-47.29	395.65	7.37	-39.92
CCC(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020168775	1	48	-1.0	-47.27	395.71	7.39	-39.88
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=CS1	REAL300020168776	0	35	-1.0	-47.40	323.36	2.67	-44.73
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=CS1	REAL300020168776	1	35	-1.0	-47.47	323.31	2.65	-44.82
CSCC[C@H](NC(=O)C1=CC=C(O)C(CC=C(C)C)=C1)C1=N[N-]N=N1	REAL300020168777	0	47	-1.0	-46.89	401.30	4.69	-42.20
CSCC[C@H](NC(=O)C1=CC=C(O)C(CC=C(C)C)=C1)C1=NN=N[N-]1	REAL300020168777	1	47	-1.0	-46.93	401.36	4.70	-42.23
CSCC[C@H](NC(=O)C1=COC2=C1NC(=O)CCC2)C1=N[N-]N=N1	REAL300020168778	0	41	-1.0	-52.86	357.56	1.72	-51.14
CSCC[C@H](NC(=O)C1=COC2=C1NC(=O)CCC2)C1=NN=N[N-]1	REAL300020168778	1	41	-1.0	-52.85	357.62	1.74	-51.11
CSCC[C@H](NC(=O)C1=CN=C2SC=CN12)C1=N[N-]N=N1	REAL300020168779	0	33	-1.0	-48.59	312.50	3.70	-44.89
CSCC[C@H](NC(=O)CCC1=CN=C(C)S1)C1=N[N-]N=N1	REAL300020168780	0	38	-1.0	-45.50	350.26	3.51	-41.99
CSCC[C@H](NC(=O)CCC1=CN=C(C)S1)C1=NN=N[N-]1	REAL300020168780	1	38	-1.0	-45.52	350.32	3.52	-42.00
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C=CC(C2CC2)=N1)C1=N[N-]N=N1	REAL300020168781	0	47	-1.0	-56.15	405.47	7.60	-48.55
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C=CC(C2CC2)=N1)C1=NN=N[N-]1	REAL300020168781	1	47	-1.0	-56.14	405.53	7.63	-48.51
CSCC[C@H](NC(=O)C1(C)CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020168782	0	43	-1.0	-48.68	362.66	6.40	-42.28
CSCC[C@H](NC(=O)C1(C)CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020168782	1	43	-1.0	-48.68	362.71	6.41	-42.27
CSCC[C@H](NC(=O)C(C)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020168783	0	39	-1.0	-50.00	360.66	5.87	-44.13
CSCC[C@H](NC(=O)C(C)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020168783	1	39	-1.0	-50.03	360.72	5.89	-44.14
CSCC[C@H](NC(=O)C(C)(C)NC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020168784	0	43	-1.0	-45.92	359.93	3.19	-42.73
CSCC[C@H](NC(=O)C(C)(C)NC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020168784	1	43	-1.0	-45.92	359.95	3.19	-42.73
CSCC[C@H](NC(=O)C1=NC=CC2=C(C)C=CC=C21)C1=NN=N[N-]1	REAL300020168785	0	41	-1.0	-49.28	353.63	5.16	-44.12
CSCC[C@H](NC(=O)C1=NC=CC2=C(C)C=CC=C21)C1=N[N-]N=N1	REAL300020168785	1	41	-1.0	-49.22	353.58	5.15	-44.07
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N=C1Cl)C1=NN=N[N-]1	REAL300020168786	0	38	-1.0	-49.99	351.51	4.93	-45.06
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2N=C1Cl)C1=N[N-]N=N1	REAL300020168786	1	38	-1.0	-50.00	351.45	4.92	-45.08
CSCC[C@H](NC(=O)C1=CC2=CC=C(F)C=C2N=C1Cl)C1=NN=N[N-]1	REAL300020168787	0	38	-1.0	-48.67	357.90	5.00	-43.67
CSCC[C@H](NC(=O)C1=CC2=CC=C(F)C=C2N=C1Cl)C1=N[N-]N=N1	REAL300020168787	1	38	-1.0	-48.66	357.84	4.99	-43.67
CSCC[C@H](NC(=O)C1=CC2=CC=C(F)C=C2NC1=O)C1=N[N-]N=N1	REAL300020168788	0	39	-1.0	-51.52	353.12	3.50	-48.02
CSCC[C@H](NC(=O)C1=CC2=CC=C(F)C=C2NC1=O)C1=NN=N[N-]1	REAL300020168788	1	39	-1.0	-51.50	353.18	3.51	-47.99
CCCN1C=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020168789	0	39	-1.0	-50.11	346.02	3.49	-46.62
CCCN1C=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020168789	1	39	-1.0	-50.13	345.97	3.48	-46.65
CSCC[C@H](NC(=O)C1=NC(F)=CC=C1Cl)C1=NN=N[N-]1	REAL300020168790	0	32	-1.0	-46.09	313.77	2.82	-43.27
CSCC[C@H](NC(=O)C1=NC(F)=CC=C1Cl)C1=N[N-]N=N1	REAL300020168790	1	32	-1.0	-46.08	313.71	2.81	-43.27
CSCC[C@H](NC(=O)CN1N=CC2=NC=CC=C21)C1=NN=N[N-]1	REAL300020168791	0	38	-1.0	-50.28	345.56	2.47	-47.81
CSCC[C@H](NC(=O)CN1N=CC2=NC=CC=C21)C1=N[N-]N=N1	REAL300020168791	1	38	-1.0	-50.31	345.50	2.45	-47.86
CCC(C)N1N=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168792	0	42	-1.0	-45.32	357.91	4.04	-41.28
CCC(C)N1N=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168792	1	42	-1.0	-45.31	357.85	4.02	-41.29
CSCC[C@H](NC(=O)C1=CN=CC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300020168793	0	38	-1.0	-52.29	340.70	4.68	-47.61
CSCC[C@H](NC(=O)C1=CN=CC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300020168793	1	38	-1.0	-52.32	340.64	4.67	-47.65
COC1=C(Br)C=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168794	0	37	-1.0	-48.84	347.11	5.33	-43.51
COC1=C(Br)C=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168794	1	37	-1.0	-48.85	347.17	5.35	-43.50
CSCC[C@H](NC(=O)[C@H](C)CC(F)(F)F)C1=N[N-]N=N1	REAL300020168795	0	35	-1.0	-42.08	315.81	3.45	-38.63
CSCC[C@H](NC(=O)[C@H](C)CC(F)(F)F)C1=NN=N[N-]1	REAL300020168795	1	35	-1.0	-42.13	315.86	3.46	-38.67
CSCC[C@H](NC(=O)C1=CC=C(O)C(C)=C1C)C1=N[N-]N=N1	REAL300020168796	0	40	-1.0	-46.98	340.06	2.54	-44.44
CSCC[C@H](NC(=O)C1=CC=C(O)C(C)=C1C)C1=NN=N[N-]1	REAL300020168796	1	40	-1.0	-47.02	340.12	2.56	-44.46
CSCC[C@H](NC(=O)C1=C2NC=C(C#N)C2=CC=C1)C1=NN=N[N-]1	REAL300020168797	0	38	-1.0	-45.83	347.88	4.78	-41.05
CSCC[C@H](NC(=O)C1=C2NC=C(C#N)C2=CC=C1)C1=N[N-]N=N1	REAL300020168797	1	38	-1.0	-45.83	347.82	4.76	-41.07
CSCC[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020168798	0	52	-1.0	-54.00	440.67	5.52	-48.48
CSCC[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020168798	1	52	-1.0	-54.03	440.73	5.54	-48.49
CSCC[C@H](NC(=O)CN1C=CC2=C(N)C=CC=C21)C1=N[N-]N=N1	REAL300020168799	0	42	-1.0	-53.21	370.15	4.12	-49.09
CSCC[C@H](NC(=O)CN1C=CC2=C(N)C=CC=C21)C1=NN=N[N-]1	REAL300020168799	1	42	-1.0	-53.20	370.21	4.13	-49.07
CSCC[C@H](NC(=O)C1=CC(C(=O)OC(C)(C)C)=NN1)C1=N[N-]N=N1	REAL300020168800	0	45	-1.0	-45.30	391.13	3.16	-42.14
CSCC[C@H](NC(=O)C1=CC(C(=O)OC(C)(C)C)=NN1)C1=NN=N[N-]1	REAL300020168800	1	45	-1.0	-45.35	391.19	3.17	-42.18
CSCC[C@H](NC(=O)C1(CC2=NNN=C2)CCC1)C1=N[N-]N=N1	REAL300020168801	0	42	-1.0	-49.65	360.07	2.27	-47.38
CSCC[C@H](NC(=O)C1(CC2=NNN=C2)CCC1)C1=NN=N[N-]1	REAL300020168801	1	42	-1.0	-49.66	360.13	2.29	-47.37
CSCC[C@H](NC(=O)C(C)(C)CC1=NNN=C1)C1=N[N-]N=N1	REAL300020168802	0	41	-1.0	-46.19	348.31	1.83	-44.36
CSCC[C@H](NC(=O)C(C)(C)CC1=NNN=C1)C1=NN=N[N-]1	REAL300020168802	1	41	-1.0	-46.21	348.37	1.85	-44.36
CSCC[C@H](NC(=O)C(C)=CN1C=CN=N1)C1=N[N-]N=N1	REAL300020168803	0	36	-1.0	-46.88	322.14	2.64	-44.24
CSCC[C@H](NC(=O)C(C)=CN1C=CN=N1)C1=NN=N[N-]1	REAL300020168803	1	36	-1.0	-46.90	322.20	2.65	-44.25
CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168804	0	41	-1.0	-54.04	359.58	4.37	-49.67
CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168804	1	41	-1.0	-54.09	359.63	4.39	-49.70
CSCC[C@H](NC(=O)C1(CC(F)F)CCC1)C1=N[N-]N=N1	REAL300020168805	0	39	-1.0	-46.55	337.58	4.41	-42.14
CSCC[C@H](NC(=O)C1(CC(F)F)CCC1)C1=NN=N[N-]1	REAL300020168805	1	39	-1.0	-46.51	337.64	4.42	-42.09
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C1=N[N-]N=N1	REAL300020168806	0	37	-1.0	-43.99	326.88	4.48	-39.51
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C1=NN=N[N-]1	REAL300020168806	1	37	-1.0	-43.98	326.94	4.50	-39.48
CSCC[C@H](NC(=O)C1=CC=CC(OC(C)C)=C1Cl)C1=N[N-]N=N1	REAL300020168807	0	43	-1.0	-50.87	378.58	5.49	-45.38
CSCC[C@H](NC(=O)C1=CC=CC(OC(C)C)=C1Cl)C1=NN=N[N-]1	REAL300020168807	1	43	-1.0	-50.88	378.64	5.51	-45.37
CSCC[C@H](NC(=O)CC1=CN=CC(Br)=C1)C1=NN=N[N-]1	REAL300020168808	0	35	-1.0	-46.74	338.39	3.59	-43.15
CSCC[C@H](NC(=O)CC1=CN=CC(Br)=C1)C1=N[N-]N=N1	REAL300020168808	1	35	-1.0	-46.73	338.33	3.58	-43.15
CSCC[C@H](NC(=O)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)C1=N[N-]N=N1	REAL300020168809	0	47	-1.0	-49.18	406.18	7.66	-41.52
CSCC[C@H](NC(=O)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)C1=NN=N[N-]1	REAL300020168809	1	47	-1.0	-49.19	406.23	7.67	-41.52
CSCC[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C1(C)CC1)C1=N[N-]N=N1	REAL300020168810	0	53	-1.0	-44.68	429.14	3.59	-41.09
CSCC[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C1(C)CC1)C1=NN=N[N-]1	REAL300020168810	1	53	-1.0	-44.69	429.20	3.60	-41.09
CSCC[C@H](NC(=O)C12COC(CN1C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300020168811	0	52	-1.0	-49.17	411.92	3.85	-45.32
CSCC[C@H](NC(=O)C12COC(CN1C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300020168811	1	52	-1.0	-49.20	411.98	3.86	-45.34
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020168812	0	53	-1.0	-46.51	430.95	3.58	-42.93
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020168812	1	53	-1.0	-46.50	431.01	3.59	-42.91
CSCC[C@H](NC(=O)C1CCCCN1CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020168813	0	51	-1.0	-46.26	420.32	5.50	-40.76
CSCC[C@H](NC(=O)C1CCCCN1CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020168813	1	51	-1.0	-46.28	420.38	5.52	-40.76
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2)O1)C1=N[N-]N=N1	REAL300020168814	0	40	-1.0	-46.02	345.28	4.78	-41.24
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2)O1)C1=NN=N[N-]1	REAL300020168814	1	40	-1.0	-45.98	345.34	4.80	-41.18
CSCC[C@H](NC(=O)C1=CC=C(C2=CNN=C2)C=C1)C1=N[N-]N=N1	REAL300020168815	0	40	-1.0	-50.25	354.56	4.07	-46.18
CSCC[C@H](NC(=O)C1=CC=C(C2=CNN=C2)C=C1)C1=NN=N[N-]1	REAL300020168815	1	40	-1.0	-50.29	354.62	4.09	-46.20
CSCC[C@H](NC(=O)C1=CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020168816	0	48	-1.0	-46.96	405.04	4.00	-42.96
CSCC[C@H](NC(=O)C1=CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020168816	1	48	-1.0	-46.91	405.10	4.01	-42.90
CSCC[C@H](NC(=O)C1=CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020168817	0	51	-1.0	-46.05	417.15	4.98	-41.07
CSCC[C@H](NC(=O)C1=CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020168817	1	51	-1.0	-46.04	417.21	4.99	-41.05
C=CCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168818	0	50	-1.0	-44.92	413.10	2.87	-42.05
C=CCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168818	1	50	-1.0	-44.89	413.16	2.89	-42.00
CSCC[C@H](NC(=O)C(O)C1=CC=C(F)C=C1C)C1=N[N-]N=N1	REAL300020168819	0	40	-1.0	-43.41	346.06	3.58	-39.83
CSCC[C@H](NC(=O)C(O)C1=CC=C(F)C=C1C)C1=NN=N[N-]1	REAL300020168819	1	40	-1.0	-43.45	346.12	3.60	-39.85
CSCC[C@H](NC(=O)C1=CNC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL300020168820	0	40	-1.0	-54.25	351.38	4.76	-49.49
CSCC[C@H](NC(=O)C1=CNC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL300020168820	1	40	-1.0	-54.25	351.32	4.74	-49.51
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C1=N[N-]N=N1	REAL300020168821	0	50	-1.0	-41.56	409.99	-0.95	-42.51
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C1=NN=N[N-]1	REAL300020168821	1	50	-1.0	-41.58	410.04	-0.93	-42.51
CSCC[C@H](NC(=O)C1=C(C(C)=O)NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020168822	0	42	-1.0	-59.89	375.77	4.47	-55.42
CSCC[C@H](NC(=O)C1=C(C(C)=O)NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020168822	1	42	-1.0	-59.88	375.72	4.45	-55.43
CSCC[C@H](NC(=O)C1=CC=C(C)C(Br)=C1F)C1=N[N-]N=N1	REAL300020168823	0	36	-1.0	-50.69	340.82	5.32	-45.37
CSCC[C@H](NC(=O)C1=CC=C(C)C(Br)=C1F)C1=NN=N[N-]1	REAL300020168823	1	36	-1.0	-50.69	340.88	5.34	-45.35
CCC1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCC1=O	REAL300020168824	0	44	-1.0	-44.97	356.26	4.66	-40.31
CCC1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCC1=O	REAL300020168824	1	44	-1.0	-45.00	356.32	4.67	-40.33
CSCC[C@H](NC(=O)C1=C2C=COC2=CC=C1F)C1=N[N-]N=N1	REAL300020168825	0	36	-1.0	-53.21	335.17	4.33	-48.88
CSCC[C@H](NC(=O)C1=C2C=COC2=CC=C1F)C1=NN=N[N-]1	REAL300020168825	1	36	-1.0	-53.20	335.22	4.35	-48.85
CSCC[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020168826	0	53	-1.0	-47.39	426.36	4.98	-42.41
CSCC[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020168826	1	53	-1.0	-47.43	426.42	5.00	-42.43
CSCC[C@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168827	0	54	-1.0	-52.44	430.66	5.66	-46.78
CSCC[C@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168827	1	54	-1.0	-52.46	430.71	5.68	-46.78
CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168828	0	56	-1.0	-52.78	445.51	5.98	-46.80
CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168828	1	56	-1.0	-52.78	445.57	6.00	-46.78
COCC1=NOC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168829	0	36	-1.0	-42.63	331.11	1.21	-41.42
COCC1=NOC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168829	1	36	-1.0	-42.60	331.17	1.22	-41.38
CSCC[C@H](NC(=O)C1=CC=C2N=CC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020168830	0	38	-1.0	-46.97	344.05	1.29	-45.68
CSCC[C@H](NC(=O)C1=CC=C2N=CC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020168830	1	38	-1.0	-46.99	344.10	1.31	-45.68
CSCC[C@H](NC(=O)C1(C#N)CC12CCOCC2)C1=N[N-]N=N1	REAL300020168831	0	42	-1.0	-47.82	359.82	3.37	-44.45
CSCC[C@H](NC(=O)C1(C#N)CC12CCOCC2)C1=NN=N[N-]1	REAL300020168831	1	42	-1.0	-47.80	359.88	3.39	-44.41
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020168832	0	43	-1.0	-46.10	370.10	3.23	-42.87
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=CC=CN=C1)C1=N[N-]N=N1	REAL300020168832	1	43	-1.0	-46.09	370.04	3.22	-42.87
CSCC[C@H](NC(=O)C1CNC(=O)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020168833	0	51	-1.0	-47.97	412.40	1.41	-46.56
CSCC[C@H](NC(=O)C1CNC(=O)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020168833	1	51	-1.0	-47.98	412.44	1.41	-46.57
COC(=O)C1=CC(OC)=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020168834	0	42	-1.0	-45.43	380.29	2.32	-43.11
COC(=O)C1=CC(OC)=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020168834	1	42	-1.0	-45.41	380.23	2.31	-43.10
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL300020168835	0	42	-1.0	-59.96	371.30	3.78	-56.18
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL300020168835	1	42	-1.0	-60.00	371.25	3.77	-56.23
CSCC[C@H](NC(=O)C1(C#N)CC12CCC2)C1=N[N-]N=N1	REAL300020168836	0	38	-1.0	-46.45	338.86	4.70	-41.75
CSCC[C@H](NC(=O)C1(C#N)CC12CCC2)C1=NN=N[N-]1	REAL300020168836	1	38	-1.0	-46.49	338.91	4.72	-41.77
CSCC[C@H](NC(=O)C1(C(F)(F)F)CC2(CCC2)C1)C1=N[N-]N=N1	REAL300020168837	0	43	-1.0	-42.98	367.73	5.88	-37.10
CSCC[C@H](NC(=O)C1(C(F)(F)F)CC2(CCC2)C1)C1=NN=N[N-]1	REAL300020168837	1	43	-1.0	-42.98	367.79	5.90	-37.08
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020168838	0	35	-1.0	-43.84	326.80	3.09	-40.75
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CN=C1)C1=N[N-]N=N1	REAL300020168838	1	35	-1.0	-43.79	326.74	3.07	-40.72
CSCC[C@H](NC(=O)C1CC2(C1)CCOC2)C1=N[N-]N=N1	REAL300020168839	0	41	-1.0	-46.58	344.67	2.91	-43.67
CSCC[C@H](NC(=O)C1CC2(C1)CCOC2)C1=NN=N[N-]1	REAL300020168839	1	41	-1.0	-46.55	344.73	2.92	-43.63
COCC1(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCOCC1	REAL300020168840	0	47	-1.0	-44.64	373.35	2.09	-42.55
COCC1(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCOCC1	REAL300020168840	1	47	-1.0	-44.67	373.41	2.11	-42.56
CSCC[C@H](NC(=O)C1=CC=C2CCCC2=N1)C1=N[N-]N=N1	REAL300020168841	0	39	-1.0	-48.13	340.28	4.22	-43.91
CSCC[C@H](NC(=O)C1=CC=C2CCCC2=N1)C1=NN=N[N-]1	REAL300020168841	1	39	-1.0	-48.07	340.34	4.23	-43.84
CSCC[C@H](NC(=O)C1CNC(=O)CC1(C)C)C1=N[N-]N=N1	REAL300020168842	0	43	-1.0	-45.52	350.11	1.30	-44.22
CSCC[C@H](NC(=O)C1CNC(=O)CC1(C)C)C1=NN=N[N-]1	REAL300020168842	1	43	-1.0	-45.50	350.17	1.32	-44.18
CCC(O)(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020168843	0	43	-1.0	-44.39	357.43	3.34	-41.05
CCC(O)(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020168843	1	43	-1.0	-44.45	357.49	3.35	-41.10
CSCC[C@H](NC(=O)C1CC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL300020168844	0	43	-1.0	-49.98	367.81	4.29	-45.69
CSCC[C@H](NC(=O)C1CC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL300020168844	1	43	-1.0	-50.01	367.87	4.30	-45.71
CSCC[C@H](NC(=O)[C@@H]1CC2=CN=CN2C(=O)N1)C1=NN=N[N-]1	REAL300020168845	0	38	-1.0	-55.81	339.06	2.20	-53.61
CSCC[C@H](NC(=O)[C@@H]1CC2=CN=CN2C(=O)N1)C1=N[N-]N=N1	REAL300020168845	1	38	-1.0	-55.77	339.01	2.18	-53.59
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020168846	0	43	-1.0	-48.47	383.96	4.50	-43.97
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020168846	1	43	-1.0	-48.43	383.91	4.49	-43.94
CSCC[C@H](NC(=O)C1=C2N=C(C)C=C(C(F)F)N2N=C1)C1=N[N-]N=N1	REAL300020168847	0	41	-1.0	-55.16	376.30	4.38	-50.78
CSCC[C@H](NC(=O)C1=C2N=C(C)C=C(C(F)F)N2N=C1)C1=NN=N[N-]1	REAL300020168847	1	41	-1.0	-55.18	376.36	4.40	-50.78
CSCC[C@H](NC(=O)C1=COC2=C1CCCC2)C1=N[N-]N=N1	REAL300020168848	0	40	-1.0	-49.33	342.69	4.74	-44.59
CSCC[C@H](NC(=O)C1=COC2=C1CCCC2)C1=NN=N[N-]1	REAL300020168848	1	40	-1.0	-49.31	342.75	4.75	-44.56
CCC1(CC)CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020168849	0	45	-1.0	-46.45	362.37	5.30	-41.15
CCC1(CC)CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020168849	1	45	-1.0	-46.45	362.43	5.32	-41.13
CSCC[C@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C1=N[N-]N=N1	REAL300020168850	0	48	-1.0	-50.65	400.92	5.86	-44.79
CSCC[C@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C1=NN=N[N-]1	REAL300020168850	1	48	-1.0	-50.59	400.97	5.88	-44.71
CCC(C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168851	0	47	-1.0	-49.63	394.34	5.13	-44.50
CCC(C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168851	1	47	-1.0	-49.66	394.39	5.15	-44.51
CSCC[C@H](NC(=O)C1=CC(C(C)(C)C)=NO1)C1=NN=N[N-]1	REAL300020168852	0	41	-1.0	-41.87	358.88	3.99	-37.88
CSCC[C@H](NC(=O)C1=CC(C(C)(C)C)=NO1)C1=N[N-]N=N1	REAL300020168852	1	41	-1.0	-41.84	358.82	3.97	-37.87
CSCC[C@H](NC(=O)C1=CC2=C(C=C1Cl)OCO2)C1=N[N-]N=N1	REAL300020168853	0	36	-1.0	-45.50	336.06	3.28	-42.22
CSCC[C@H](NC(=O)C1=CC2=C(C=C1Cl)OCO2)C1=NN=N[N-]1	REAL300020168853	1	36	-1.0	-45.48	336.12	3.30	-42.18
CSCC[C@H](NC(=O)C1=CN=CC2=C(C(F)(F)F)C=CC=C12)C1=NN=N[N-]1	REAL300020168854	0	41	-1.0	-43.62	368.33	5.42	-38.20
CSCC[C@H](NC(=O)C1=CN=CC2=C(C(F)(F)F)C=CC=C12)C1=N[N-]N=N1	REAL300020168854	1	41	-1.0	-43.59	368.28	5.41	-38.18
CSCC[C@H](NC(=O)C1=C(C(C)C)N2CCCCC2=N1)C1=N[N-]N=N1	REAL300020168855	0	49	-1.0	-52.49	394.78	5.72	-46.77
CSCC[C@H](NC(=O)C1=C(C(C)C)N2CCCCC2=N1)C1=NN=N[N-]1	REAL300020168855	1	49	-1.0	-52.51	394.84	5.74	-46.77
CSCC[C@H](NC(=O)C1=CC(C)=NC2=NC=NN21)C1=N[N-]N=N1	REAL300020168856	0	37	-1.0	-47.32	334.17	5.99	-41.33
CSCC[C@H](NC(=O)C1=CC(C)=NC2=NC=NN21)C1=NN=N[N-]1	REAL300020168856	1	37	-1.0	-47.28	334.23	6.01	-41.27
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1=N[N-]N=N1	REAL300020168857	0	43	-1.0	-45.76	350.35	5.36	-40.40
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1=NN=N[N-]1	REAL300020168857	1	43	-1.0	-45.77	350.41	5.38	-40.39
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=N1)C1=N[N-]N=N1	REAL300020168858	0	39	-1.0	-49.32	345.43	4.28	-45.04
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=N1)C1=NN=N[N-]1	REAL300020168858	1	39	-1.0	-49.30	345.49	4.30	-45.00
CSCC[C@H](NC(=O)C1=CN=C(C2CCC2)C=C1C)C1=N[N-]N=N1	REAL300020168859	0	45	-1.0	-44.47	374.64	5.52	-38.95
CSCC[C@H](NC(=O)C1=CN=C(C2CCC2)C=C1C)C1=NN=N[N-]1	REAL300020168859	1	45	-1.0	-44.47	374.70	5.54	-38.93
CSCC[C@H](NC(=O)C[C@H]1C[C@@H](C(C)C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020168860	0	52	-1.0	-46.06	417.44	8.15	-37.91
CSCC[C@H](NC(=O)C[C@H]1C[C@@H](C(C)C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020168860	1	52	-1.0	-46.10	417.49	8.17	-37.93
CSCC[C@H](NC(=O)C1=C(C(C)=O)SC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020168861	0	41	-1.0	-58.38	379.17	5.78	-52.60
CSCC[C@H](NC(=O)C1=C(C(C)=O)SC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020168861	1	41	-1.0	-58.36	379.22	5.79	-52.57
CSCC[C@H](NC(=O)[C@H]1CSCN1C(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168862	0	45	-1.0	-48.28	380.23	4.77	-43.51
CSCC[C@H](NC(=O)[C@H]1CSCN1C(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168862	1	45	-1.0	-48.24	380.28	4.77	-43.47
COC1=CC=CC2=C1CC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)CO2	REAL300020168863	0	45	-1.0	-48.74	380.38	3.98	-44.76
COC1=CC=CC2=C1CC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)CO2	REAL300020168863	1	45	-1.0	-48.74	380.44	4.00	-44.74
CSCC[C@H](NC(=O)C1=CC2=C(C)C(F)=CC=C2N1)C1=N[N-]N=N1	REAL300020168864	0	40	-1.0	-44.88	357.31	4.69	-40.19
CSCC[C@H](NC(=O)C1=CC2=C(C)C(F)=CC=C2N1)C1=NN=N[N-]1	REAL300020168864	1	40	-1.0	-44.89	357.37	4.71	-40.18
CSCC[C@H](NC(=O)C1=CC2=C(C)C(Cl)=CC=C2N1)C1=N[N-]N=N1	REAL300020168865	0	40	-1.0	-44.46	366.01	5.09	-39.37
CSCC[C@H](NC(=O)C1=CC2=C(C)C(Cl)=CC=C2N1)C1=NN=N[N-]1	REAL300020168865	1	40	-1.0	-44.46	366.07	5.11	-39.35
CSCC[C@H](NC(=O)C1=C(C)C=CC(Br)=C1F)C1=N[N-]N=N1	REAL300020168866	0	36	-1.0	-44.89	347.63	5.11	-39.78
CSCC[C@H](NC(=O)C1=C(C)C=CC(Br)=C1F)C1=NN=N[N-]1	REAL300020168866	1	36	-1.0	-44.88	347.69	5.12	-39.76
COC1=CC=NC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168867	0	36	-1.0	-50.01	320.18	2.83	-47.18
COC1=CC=NC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168867	1	36	-1.0	-50.01	320.24	2.84	-47.17
CSCC[C@H](NC(=O)C1=NN2CCNC(=O)C2=C1)C1=NN=N[N-]1	REAL300020168868	0	38	-1.0	-55.11	342.34	-0.54	-55.65
CSCC[C@H](NC(=O)C1=NN2CCNC(=O)C2=C1)C1=N[N-]N=N1	REAL300020168868	1	38	-1.0	-55.13	342.28	-0.55	-55.68
CSCC[C@H](NC(=O)C1=CC2=NC=CN=C2C=C1C)C1=N[N-]N=N1	REAL300020168869	0	40	-1.0	-47.68	349.47	3.21	-44.47
CSCC[C@H](NC(=O)C1=CC2=NC=CN=C2C=C1C)C1=NN=N[N-]1	REAL300020168869	1	40	-1.0	-47.74	349.52	3.22	-44.52
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)C1=N[N-]N=N1	REAL300020168870	0	44	-1.0	-42.24	393.25	4.80	-37.44
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)C1=NN=N[N-]1	REAL300020168870	1	44	-1.0	-42.24	393.30	4.81	-37.43
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(C)C=C2)C(=O)CC1)C1=N[N-]N=N1	REAL300020168871	0	47	-1.0	-44.10	408.25	5.41	-38.69
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(C)C=C2)C(=O)CC1)C1=NN=N[N-]1	REAL300020168871	1	47	-1.0	-44.11	408.31	5.43	-38.68
CSCC[C@H](NC(=O)CCCOC(C)=O)C1=N[N-]N=N1	REAL300020168872	0	38	-1.0	-48.61	340.66	3.52	-45.09
CSCC[C@H](NC(=O)CCCOC(C)=O)C1=NN=N[N-]1	REAL300020168872	1	38	-1.0	-48.66	340.71	3.53	-45.13
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020168873	0	42	-1.0	-43.57	386.50	6.40	-37.17
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020168873	1	42	-1.0	-43.57	386.44	6.39	-37.18
CSCC[C@H](NC(=O)C(CC(C)C)NC(C)=O)C1=N[N-]N=N1	REAL300020168874	0	45	-1.0	-59.04	373.31	3.61	-55.43
CSCC[C@H](NC(=O)C(CC(C)C)NC(C)=O)C1=NN=N[N-]1	REAL300020168874	1	45	-1.0	-59.05	373.37	3.62	-55.43
CSCC[C@H](NC(=O)C1CCC2C(CC1)C2(F)F)C1=N[N-]N=N1	REAL300020168875	0	43	-1.0	-44.46	356.92	5.65	-38.81
CSCC[C@H](NC(=O)C1CCC2C(CC1)C2(F)F)C1=NN=N[N-]1	REAL300020168875	1	43	-1.0	-44.46	356.98	5.67	-38.79
CCOC(=O)C1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC=CC1	REAL300020168876	0	43	-1.0	-47.53	369.73	5.22	-42.31
CCOC(=O)C1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC=CC1	REAL300020168876	1	43	-1.0	-47.55	369.79	5.24	-42.31
CSCC[C@H](NC(=O)CCC1=NC(C)=C(C)O1)C1=N[N-]N=N1	REAL300020168877	0	41	-1.0	-47.12	361.60	1.68	-45.44
CSCC[C@H](NC(=O)CCC1=NC(C)=C(C)O1)C1=NN=N[N-]1	REAL300020168877	1	41	-1.0	-47.18	361.66	1.70	-45.48
COCCOCCN1C=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020168878	0	47	-1.0	-50.11	413.68	2.03	-48.08
COCCOCCN1C=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020168878	1	47	-1.0	-50.09	413.62	2.01	-48.08
COCCOCCN1N=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168879	0	47	-1.0	-49.80	408.83	1.97	-47.83
COCCOCCN1N=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168879	1	47	-1.0	-49.84	408.78	1.95	-47.89
CSCC[C@H](NC(=O)C1=CC=C(CCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020168880	0	49	-1.0	-47.51	421.82	9.32	-38.19
CSCC[C@H](NC(=O)C1=CC=C(CCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020168880	1	49	-1.0	-47.51	421.88	9.34	-38.17
CSCC[C@H](NC(=O)C1=C2CCCC2=NNC1=O)C1=N[N-]N=N1	REAL300020168881	0	39	-1.0	-49.17	337.57	1.74	-47.43
CSCC[C@H](NC(=O)C1=C2CCCC2=NNC1=O)C1=NN=N[N-]1	REAL300020168881	1	39	-1.0	-49.16	337.63	1.76	-47.40
CSCC[C@H](NC(=O)C1=CC=CC2=C1CNC2=O)C1=N[N-]N=N1	REAL300020168882	0	38	-1.0	-46.60	338.23	1.51	-45.09
CSCC[C@H](NC(=O)C1=CC=CC2=C1CNC2=O)C1=NN=N[N-]1	REAL300020168882	1	38	-1.0	-46.62	338.29	1.52	-45.10
CSCC[C@H](NC(=O)C1=NN(CCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020168883	0	39	-1.0	-49.17	364.16	3.87	-45.30
CSCC[C@H](NC(=O)C1=NN(CCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020168883	1	39	-1.0	-49.18	364.10	3.86	-45.32
CSCC[C@H](NC(=O)C1=CC=C(C(F)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020168884	0	39	-1.0	-48.11	361.72	5.86	-42.25
CSCC[C@H](NC(=O)C1=CC=C(C(F)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020168884	1	39	-1.0	-48.12	361.77	5.88	-42.24
CSCC[C@H](NC(=O)C1=CC=C(C2=CSC=C2)N=C1)C1=NN=N[N-]1	REAL300020168885	0	39	-1.0	-46.09	360.06	4.88	-41.21
CSCC[C@H](NC(=O)C1=CC=C(C2=CSC=C2)N=C1)C1=N[N-]N=N1	REAL300020168885	1	39	-1.0	-46.09	360.01	4.86	-41.23
CSCC[C@H](NC(=O)C[C@@H]1CCC[C@H](C2CC2)O1)C1=N[N-]N=N1	REAL300020168886	0	47	-1.0	-51.14	386.92	6.14	-45.00
CSCC[C@H](NC(=O)C[C@@H]1CCC[C@H](C2CC2)O1)C1=NN=N[N-]1	REAL300020168886	1	47	-1.0	-51.14	386.97	6.15	-44.99
CSCC[C@H](NC(=O)C(CC1CCCCC1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168887	0	55	-1.0	-48.16	439.86	9.10	-39.06
CSCC[C@H](NC(=O)C(CC1CCCCC1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168887	1	55	-1.0	-48.15	439.92	9.11	-39.04
CSCC[C@H](NC(=O)C(C)C(C)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020168888	0	45	-1.0	-48.15	387.51	6.93	-41.22
CSCC[C@H](NC(=O)C(C)C(C)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020168888	1	45	-1.0	-48.12	387.56	6.95	-41.17
CSCC[C@H](NC(=O)C1=CC=C(CC2CCC2)C=C1)C1=N[N-]N=N1	REAL300020168889	0	46	-1.0	-46.77	388.60	7.60	-39.17
CSCC[C@H](NC(=O)C1=CC=C(CC2CCC2)C=C1)C1=NN=N[N-]1	REAL300020168889	1	46	-1.0	-46.81	388.66	7.61	-39.20
CSCC[C@H](NC(=O)C1=CC=C(F)C(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020168890	0	37	-1.0	-45.73	349.72	3.96	-41.77
CSCC[C@H](NC(=O)C1=CC=C(F)C(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020168890	1	37	-1.0	-45.74	349.78	3.97	-41.77
CSCC[C@H](NC(=O)C1=CC=C2N=C(N(C)C)OC2=C1)C1=NN=N[N-]1	REAL300020168891	0	43	-1.0	-49.44	376.55	2.70	-46.74
CSCC[C@H](NC(=O)C1=CC=C2N=C(N(C)C)OC2=C1)C1=N[N-]N=N1	REAL300020168891	1	43	-1.0	-49.42	376.49	2.68	-46.74
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=N)=O)C=C1)C1=N[N-]N=N1	REAL300020168892	0	40	-1.0	-55.65	362.62	0.74	-54.91
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=N)=O)C=C1)C1=NN=N[N-]1	REAL300020168892	1	40	-1.0	-55.68	362.67	0.75	-54.93
CSCC[C@H](NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL300020168893	0	51	0.0	-65.84	387.72	5.63	-60.21
CSCC[C@H](NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL300020168893	1	51	0.0	-67.55	387.71	5.61	-61.94
CSCC[C@H](NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL300020168893	1	51	0.0	-65.88	387.78	5.65	-60.23
CSCC[C@H](NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL300020168893	1	51	0.0	-67.54	387.77	5.63	-61.91
CSCC[C@H](NC(=O)C1=CN(C2COC2)N=N1)C1=NN=N[N-]1	REAL300020168894	0	37	-1.0	-45.75	334.76	-0.50	-46.25
CSCC[C@H](NC(=O)C1=CN(C2COC2)N=N1)C1=N[N-]N=N1	REAL300020168894	1	37	-1.0	-45.72	334.71	-0.52	-46.24
CSCC[C@H](NC(=O)C1=NN(CCF)C=C1)C1=NN=N[N-]1	REAL300020168895	0	36	-1.0	-49.07	331.12	2.88	-46.19
CSCC[C@H](NC(=O)C1=NN(CCF)C=C1)C1=N[N-]N=N1	REAL300020168895	1	36	-1.0	-49.08	331.06	2.86	-46.22
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020168896	0	36	-1.0	-44.73	342.81	4.93	-39.80
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020168896	1	36	-1.0	-44.73	342.75	4.92	-39.81
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020168896	1	35	-2.0	-112.40	338.99	2.97	-109.43
CSCC[C@H](NC(=O)CCC1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL300020168897	0	38	-1.0	-47.29	344.88	3.74	-43.55
CSCC[C@H](NC(=O)CCC1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL300020168897	1	38	-1.0	-47.33	344.82	3.73	-43.60
CSCC[C@H](NC(=O)C1=NN(C)C(C)=C1Br)C1=N[N-]N=N1	REAL300020168898	0	36	-1.0	-50.30	341.88	2.98	-47.32
CSCC[C@H](NC(=O)C1=NN(C)C(C)=C1Br)C1=NN=N[N-]1	REAL300020168898	1	36	-1.0	-50.29	341.94	3.00	-47.29
CSCC[C@H](NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1F)C1=N[N-]N=N1	REAL300020168899	0	36	-1.0	-48.97	343.35	5.15	-43.82
CSCC[C@H](NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1F)C1=NN=N[N-]1	REAL300020168899	1	36	-1.0	-48.97	343.41	5.17	-43.80
CSCC[C@H](NC(=O)CC1(CNC(C)=O)CCCCC1)C1=N[N-]N=N1	REAL300020168900	0	52	-1.0	-57.61	405.82	3.85	-53.76
CSCC[C@H](NC(=O)CC1(CNC(C)=O)CCCCC1)C1=NN=N[N-]1	REAL300020168900	1	52	-1.0	-57.59	405.88	3.86	-53.73
CSCC[C@H](NC(=O)C1CC(C)(C)OC(C)(C)C1)C1=N[N-]N=N1	REAL300020168901	0	49	-1.0	-45.79	389.35	4.59	-41.20
CSCC[C@H](NC(=O)C1CC(C)(C)OC(C)(C)C1)C1=NN=N[N-]1	REAL300020168901	1	49	-1.0	-45.78	389.41	4.60	-41.18
CSCC[C@H](NC(=O)C1=CC=NC(Br)=C1F)C1=NN=N[N-]1	REAL300020168902	0	32	-1.0	-48.10	318.19	2.90	-45.20
CSCC[C@H](NC(=O)C1=CC=NC(Br)=C1F)C1=N[N-]N=N1	REAL300020168902	1	32	-1.0	-48.11	318.13	2.88	-45.23
CSCC[C@H](NC(=O)C1=C(C(F)F)N=C(C2CC2)O1)C1=N[N-]N=N1	REAL300020168903	0	39	-1.0	-44.03	357.55	2.12	-41.91
CSCC[C@H](NC(=O)C1=C(C(F)F)N=C(C2CC2)O1)C1=NN=N[N-]1	REAL300020168903	1	39	-1.0	-43.99	357.60	2.14	-41.85
CSCC[C@H](NC(=O)CCOC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020168904	0	40	-1.0	-48.61	378.22	5.15	-43.46
CSCC[C@H](NC(=O)CCOC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020168904	1	40	-1.0	-48.63	378.28	5.16	-43.47
CSCC[C@H](NC(=O)C1=CSC(N=S(C)(C)=O)=N1)C1=N[N-]N=N1	REAL300020168905	0	39	-1.0	-67.25	368.01	0.38	-66.87
CSCC[C@H](NC(=O)C1=CSC(N=S(C)(C)=O)=N1)C1=NN=N[N-]1	REAL300020168905	1	39	-1.0	-67.22	368.07	0.40	-66.82
CSCC[C@H](NC(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020168906	0	48	-1.0	-61.22	422.95	5.31	-55.91
CSCC[C@H](NC(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020168906	1	48	-1.0	-61.23	423.01	5.33	-55.90
CSCC[C@H](NC(=O)C1CCCCN1C(=O)CC(C)C)C1=N[N-]N=N1	REAL300020168907	0	52	-1.0	-54.76	412.78	6.34	-48.42
CSCC[C@H](NC(=O)C1CCCCN1C(=O)CC(C)C)C1=NN=N[N-]1	REAL300020168907	1	52	-1.0	-54.76	412.84	6.36	-48.40
CSCC[C@H](NC(=O)C12OC3C4COCC3C1C42)C1=N[N-]N=N1	REAL300020168908	0	41	-1.0	-47.63	344.98	1.90	-45.73
CSCC[C@H](NC(=O)C12OC3C4COCC3C1C42)C1=NN=N[N-]1	REAL300020168908	1	41	-1.0	-47.63	345.03	1.91	-45.72
CSCC[C@H](NC(=O)C12CCC(CC(=O)C1)S2(=O)=O)C1=N[N-]N=N1	REAL300020168909	0	42	-1.0	-52.40	363.09	0.45	-51.95
CSCC[C@H](NC(=O)C12CCC(CC(=O)C1)S2(=O)=O)C1=NN=N[N-]1	REAL300020168909	1	42	-1.0	-52.38	363.15	0.47	-51.91
CSCC[C@H](NC(=O)C1(C2CCCO2)CCOCC1)C1=N[N-]N=N1	REAL300020168910	0	48	-1.0	-47.57	377.28	2.97	-44.60
CSCC[C@H](NC(=O)C1(C2CCCO2)CCOCC1)C1=NN=N[N-]1	REAL300020168910	1	48	-1.0	-47.53	377.34	2.98	-44.55
CSCC[C@H](NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020168911	0	50	-1.0	-44.23	388.76	7.71	-36.52
CSCC[C@H](NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020168911	1	50	-1.0	-44.27	388.81	7.72	-36.55
CSCC[C@H](NC(=O)CC1=CC(O)=CC(Br)=C1)C1=N[N-]N=N1	REAL300020168912	0	37	-1.0	-48.65	354.48	2.52	-46.13
CSCC[C@H](NC(=O)CC1=CC(O)=CC(Br)=C1)C1=NN=N[N-]1	REAL300020168912	1	37	-1.0	-48.60	354.54	2.54	-46.06
CSCC[C@H](NC(=O)CCCCC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL300020168913	0	46	-1.0	-47.27	397.58	4.28	-42.99
CSCC[C@H](NC(=O)CCCCC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL300020168913	1	46	-1.0	-47.27	397.64	4.29	-42.98
CSCC[C@H](NC(=O)CC1=CN=C(C)S1)C1=N[N-]N=N1	REAL300020168914	0	35	-1.0	-48.56	328.86	2.73	-45.83
CSCC[C@H](NC(=O)CC1=CN=C(C)S1)C1=NN=N[N-]1	REAL300020168914	1	35	-1.0	-48.55	328.92	2.75	-45.80
CSCC[C@H](NC(=O)C1=CN=C2CCCCC2=N1)C1=N[N-]N=N1	REAL300020168915	0	41	-1.0	-45.61	352.75	2.93	-42.68
CSCC[C@H](NC(=O)C1=CN=C2CCCCC2=N1)C1=NN=N[N-]1	REAL300020168915	1	41	-1.0	-45.63	352.81	2.94	-42.69
CSCC[C@H](NC(=O)C=CC1=NC(C)=C(C)N1)C1=N[N-]N=N1	REAL300020168916	0	40	-1.0	-48.12	356.10	3.32	-44.80
CSCC[C@H](NC(=O)C=CC1=NC(C)=C(C)N1)C1=NN=N[N-]1	REAL300020168916	1	40	-1.0	-48.15	356.16	3.34	-44.81
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1)C1=N[N-]N=N1	REAL300020168917	0	51	-1.0	-58.05	421.78	-0.28	-58.33
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1)C1=NN=N[N-]1	REAL300020168917	1	51	-1.0	-58.08	421.83	-0.26	-58.34
CSCC[C@H](NC(=O)C(=O)N=S(C)(C)=O)C1=N[N-]N=N1	REAL300020168918	0	35	-1.0	-60.67	329.31	-1.48	-62.15
CSCC[C@H](NC(=O)C(=O)N=S(C)(C)=O)C1=NN=N[N-]1	REAL300020168918	1	35	-1.0	-60.73	329.37	-1.46	-62.19
CSCC[C@H](NC(=O)C=CCCCCCCCO)C1=N[N-]N=N1	REAL300020168919	0	49	-1.0	-47.70	415.72	3.72	-43.98
CSCC[C@H](NC(=O)C=CCCCCCCCO)C1=NN=N[N-]1	REAL300020168919	1	49	-1.0	-47.70	415.78	3.73	-43.97
CSCC[C@H](NC(=O)C#CC1CCC(=O)CC1)C1=N[N-]N=N1	REAL300020168920	0	40	-1.0	-49.85	355.99	4.81	-45.04
CSCC[C@H](NC(=O)C#CC1CCC(=O)CC1)C1=NN=N[N-]1	REAL300020168920	1	40	-1.0	-49.84	356.04	4.82	-45.02
COC(=O)[C@@H]1[C@@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1(F)F	REAL300020168921	0	36	-1.0	-42.87	340.72	3.40	-39.47
COC(=O)[C@@H]1[C@@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1(F)F	REAL300020168921	1	36	-1.0	-42.87	340.78	3.42	-39.45
CSCC[C@H](NC(=O)C1=CN2N=C(Br)N=C2C=C1)C1=NN=N[N-]1	REAL300020168922	0	35	-1.0	-46.02	341.16	4.32	-41.70
CSCC[C@H](NC(=O)C1=CN2N=C(Br)N=C2C=C1)C1=N[N-]N=N1	REAL300020168922	1	35	-1.0	-46.01	341.10	4.30	-41.71
CSCC[C@H](NC(=O)C(F)C(C)C(F)(F)F)C1=N[N-]N=N1	REAL300020168923	0	35	-1.0	-43.60	319.74	3.46	-40.14
CSCC[C@H](NC(=O)C(F)C(C)C(F)(F)F)C1=NN=N[N-]1	REAL300020168923	1	35	-1.0	-43.60	319.80	3.47	-40.13
COC1(C2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2)COC1	REAL300020168924	0	45	-1.0	-47.44	377.94	3.39	-44.05
COC1(C2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2)COC1	REAL300020168924	1	45	-1.0	-47.42	378.00	3.41	-44.01
CSCC[C@H](NC(=O)CCC1=NC(C)=CN1)C1=N[N-]N=N1	REAL300020168925	0	39	-1.0	-49.10	344.86	2.84	-46.26
CSCC[C@H](NC(=O)CCC1=NC(C)=CN1)C1=NN=N[N-]1	REAL300020168925	1	39	-1.0	-49.08	344.92	2.85	-46.23
CSCC[C@H](NC(=O)CN1CC(C(F)(F)F)CCC1=O)C1=N[N-]N=N1	REAL300020168926	0	43	-1.0	-54.03	380.16	3.96	-50.07
CSCC[C@H](NC(=O)CN1CC(C(F)(F)F)CCC1=O)C1=NN=N[N-]1	REAL300020168926	1	43	-1.0	-54.00	380.22	3.97	-50.03
CCC1=NC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020168927	0	37	-1.0	-43.34	345.84	3.25	-40.09
CCC1=NC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020168927	1	37	-1.0	-43.33	345.90	3.27	-40.06
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C)S2)N1)C1=N[N-]N=N1	REAL300020168928	0	37	-1.0	-46.21	343.26	3.90	-42.31
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C)S2)N1)C1=NN=N[N-]1	REAL300020168928	1	37	-1.0	-46.20	343.31	3.92	-42.28
CSCC[C@H](NC(=O)C12CC(C)(C1)OC2(C)C)C1=N[N-]N=N1	REAL300020168929	0	44	-1.0	-45.37	359.83	3.35	-42.02
CSCC[C@H](NC(=O)C12CC(C)(C1)OC2(C)C)C1=NN=N[N-]1	REAL300020168929	1	44	-1.0	-45.40	359.89	3.37	-42.03
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2F)CC1)C1=N[N-]N=N1	REAL300020168930	0	40	-1.0	-56.89	373.89	6.46	-50.43
CSCC[C@H](NC(=O)C1(C2=CC=CC(Cl)=C2F)CC1)C1=NN=N[N-]1	REAL300020168930	1	40	-1.0	-56.86	373.95	6.48	-50.38
CSCC[C@H](NC(=O)C1=CC=C(NS(=O)(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL300020168931	0	45	-1.0	-49.57	405.56	2.47	-47.10
CSCC[C@H](NC(=O)C1=CC=C(NS(=O)(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL300020168931	1	45	-1.0	-49.62	405.62	2.49	-47.13
CSCC[C@H](NC(=O)C1=CC=CC(NS(=O)(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL300020168932	0	45	-1.0	-50.22	401.81	2.59	-47.63
CSCC[C@H](NC(=O)C1=CC=CC(NS(=O)(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL300020168932	1	45	-1.0	-50.22	401.87	2.60	-47.62
CSCC[C@H](NC(=O)C1=CC=CC(NS(=O)(=O)C(C)C)=C1)C1=N[N-]N=N1	REAL300020168933	0	47	-1.0	-48.02	405.34	2.05	-45.97
CSCC[C@H](NC(=O)C1=CC=CC(NS(=O)(=O)C(C)C)=C1)C1=NN=N[N-]1	REAL300020168933	1	47	-1.0	-48.02	405.39	2.06	-45.96
CSCC[C@H](NC(=O)C(C)(C)N1C=NN=N1)C1=NN=N[N-]1	REAL300020168934	0	37	-1.0	-57.48	325.80	2.33	-55.15
CSCC[C@H](NC(=O)C(C)(C)N1C=NN=N1)C1=N[N-]N=N1	REAL300020168934	1	37	-1.0	-57.47	325.75	2.32	-55.15
CSCC[C@H](NC(=O)C(C)(C)C1=CN=CN=C1)C1=NN=N[N-]1	REAL300020168935	0	40	-1.0	-47.34	342.91	3.66	-43.68
CSCC[C@H](NC(=O)C(C)(C)C1=CN=CN=C1)C1=N[N-]N=N1	REAL300020168935	1	40	-1.0	-47.34	342.85	3.64	-43.70
CSCC[C@H](NC(=O)C1(C2CCCO2)CCCC1)C1=N[N-]N=N1	REAL300020168936	0	47	-1.0	-44.74	375.76	4.56	-40.18
CSCC[C@H](NC(=O)C1(C2CCCO2)CCCC1)C1=NN=N[N-]1	REAL300020168936	1	47	-1.0	-44.72	375.82	4.58	-40.14
COCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC=CC1	REAL300020168937	0	41	-1.0	-46.90	346.33	3.73	-43.17
COCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC=CC1	REAL300020168937	1	41	-1.0	-46.91	346.38	3.74	-43.17
CSCC[C@H](NC(=O)C1=CC2=C(CC(C)(C)CC2)NC1=O)C1=N[N-]N=N1	REAL300020168938	0	49	-1.0	-53.30	398.20	4.62	-48.68
CSCC[C@H](NC(=O)C1=CC2=C(CC(C)(C)CC2)NC1=O)C1=NN=N[N-]1	REAL300020168938	1	49	-1.0	-53.27	398.26	4.63	-48.64
CSCC[C@H](NC(=O)C1=CC=C(C#N)[N-]C1=O)C1=N[N-]N=N1	REAL300020168939	0	33	-2.0	-90.08	318.04	0.51	-89.57
CSCC[C@H](NC(=O)C1=CC=C(C#N)[N-]C1=O)C1=NN=N[N-]1	REAL300020168939	1	33	-2.0	-90.06	318.10	0.53	-89.53
CSCC[C@H](NC(=O)C1=CC(Br)=C(F)C=C1C)C1=N[N-]N=N1	REAL300020168940	0	36	-1.0	-41.40	340.57	5.43	-35.97
CSCC[C@H](NC(=O)C1=CC(Br)=C(F)C=C1C)C1=NN=N[N-]1	REAL300020168940	1	36	-1.0	-41.38	340.62	5.44	-35.94
CSCC[C@H](NC(=O)C1(C(F)(F)F)CC=CCO1)C1=N[N-]N=N1	REAL300020168941	0	38	-1.0	-44.47	334.90	3.17	-41.30
CSCC[C@H](NC(=O)C1(C(F)(F)F)CC=CCO1)C1=NN=N[N-]1	REAL300020168941	1	38	-1.0	-44.46	334.96	3.18	-41.28
CSCC[C@H](NC(=O)C1=COC2=C1CSC2)C1=N[N-]N=N1	REAL300020168942	0	35	-1.0	-48.55	327.20	3.67	-44.88
CSCC[C@H](NC(=O)C1=COC2=C1CSC2)C1=NN=N[N-]1	REAL300020168942	1	35	-1.0	-48.58	327.25	3.69	-44.89
CSCC[C@H](NC(=O)C(C)CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020168943	0	54	-1.0	-45.42	435.13	8.37	-37.05
CSCC[C@H](NC(=O)C(C)CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020168943	1	54	-1.0	-45.45	435.19	8.38	-37.07
CSCC[C@H](NC(=O)C1CNC(=O)CC12CCOC2)C1=N[N-]N=N1	REAL300020168944	0	45	-1.0	-48.01	362.24	0.72	-47.29
CSCC[C@H](NC(=O)C1CNC(=O)CC12CCOC2)C1=NN=N[N-]1	REAL300020168944	1	45	-1.0	-48.00	362.30	0.73	-47.27
CSCC[C@H](NC(=O)C1=NN(C)C(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300020168945	0	43	-1.0	-49.07	392.89	5.62	-43.45
CSCC[C@H](NC(=O)C1=NN(C)C(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300020168945	1	43	-1.0	-49.06	392.83	5.60	-43.46
CSCC[C@H](NC(=O)C1=COC2=CC=C(C)C=C12)C1=N[N-]N=N1	REAL300020168946	0	39	-1.0	-51.26	347.62	5.08	-46.18
CSCC[C@H](NC(=O)C1=COC2=CC=C(C)C=C12)C1=NN=N[N-]1	REAL300020168946	1	39	-1.0	-51.24	347.68	5.09	-46.15
CSCC[C@H](NC(=O)C1=CC=C2SCCCC2=C1)C1=N[N-]N=N1	REAL300020168947	0	41	-1.0	-46.45	360.11	6.28	-40.17
CSCC[C@H](NC(=O)C1=CC=C2SCCCC2=C1)C1=NN=N[N-]1	REAL300020168947	1	41	-1.0	-46.45	360.17	6.29	-40.16
CSCC[C@H](NC(=O)C1=CC=C2SCCCCC2=C1)C1=N[N-]N=N1	REAL300020168948	0	44	-1.0	-45.39	377.12	6.89	-38.50
CSCC[C@H](NC(=O)C1=CC=C2SCCCCC2=C1)C1=NN=N[N-]1	REAL300020168948	1	44	-1.0	-45.37	377.18	6.91	-38.46
CSCC[C@H](NC(=O)C1=COC2=CC(C)=CC=C12)C1=N[N-]N=N1	REAL300020168949	0	39	-1.0	-50.44	347.60	5.09	-45.35
CSCC[C@H](NC(=O)C1=COC2=CC(C)=CC=C12)C1=NN=N[N-]1	REAL300020168949	1	39	-1.0	-50.42	347.65	5.10	-45.32
CSCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)C1=N[N-]N=N1	REAL300020168950	0	41	-1.0	-52.81	355.66	-0.82	-53.63
CSCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)C1=NN=N[N-]1	REAL300020168950	1	41	-1.0	-52.80	355.72	-0.81	-53.61
COC(=O)CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020168951	0	45	-1.0	-49.11	395.88	6.33	-42.78
COC(=O)CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020168951	1	45	-1.0	-49.08	395.93	6.34	-42.74
CSCC[C@H](NC(=O)C1=CC=C(F)C(CC=C(C)C)=C1)C1=N[N-]N=N1	REAL300020168952	0	46	-1.0	-44.53	397.58	7.52	-37.01
CSCC[C@H](NC(=O)C1=CC=C(F)C(CC=C(C)C)=C1)C1=NN=N[N-]1	REAL300020168952	1	46	-1.0	-44.52	397.63	7.54	-36.98
CSCC[C@H](NC(=O)C1=CC2=C(C=C(Cl)S2)N1)C1=N[N-]N=N1	REAL300020168953	0	34	-1.0	-43.27	338.43	3.72	-39.55
CSCC[C@H](NC(=O)C1=CC2=C(C=C(Cl)S2)N1)C1=NN=N[N-]1	REAL300020168953	1	34	-1.0	-43.28	338.48	3.74	-39.54
CSCC[C@H](NC(=O)C1=C(F)C=CC(F)=C1Br)C1=N[N-]N=N1	REAL300020168954	0	33	-1.0	-47.62	333.29	4.55	-43.07
CSCC[C@H](NC(=O)C1=C(F)C=CC(F)=C1Br)C1=NN=N[N-]1	REAL300020168954	1	33	-1.0	-47.58	333.34	4.56	-43.02
CSCC[C@H](NC(=O)C1=CC=NC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL300020168955	0	40	-1.0	-47.10	364.33	3.65	-43.45
CSCC[C@H](NC(=O)C1=CC=NC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL300020168955	1	40	-1.0	-47.10	364.27	3.64	-43.46
CSCC[C@H](NC(=O)CC1=CC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL300020168956	0	41	-1.0	-49.96	363.40	5.13	-44.83
CSCC[C@H](NC(=O)CC1=CC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL300020168956	1	41	-1.0	-49.99	363.34	5.11	-44.88
COC1(C(F)(F)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCOCC1	REAL300020168957	0	44	-1.0	-41.30	362.01	2.24	-39.06
COC1(C(F)(F)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCOCC1	REAL300020168957	1	44	-1.0	-41.20	362.07	2.25	-38.95
CSCC[C@H](NC(=O)CN1N=NC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300020168958	0	43	-1.0	-52.66	376.27	2.42	-50.24
CSCC[C@H](NC(=O)CN1N=NC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300020168958	1	43	-1.0	-52.62	376.21	2.40	-50.22
CSCC[C@H](NC(=O)C1C(F)(F)C12CC2)C1=N[N-]N=N1	REAL300020168959	0	34	-1.0	-48.48	318.12	4.17	-44.31
CSCC[C@H](NC(=O)C1C(F)(F)C12CC2)C1=NN=N[N-]1	REAL300020168959	1	34	-1.0	-48.47	318.18	4.19	-44.28
CSCC[C@H](NC(=O)C1=CC2=C(C=CS2)N1CC1CC1)C1=N[N-]N=N1	REAL300020168960	0	44	-1.0	-46.31	393.02	7.17	-39.14
CSCC[C@H](NC(=O)C1=CC2=C(C=CS2)N1CC1CC1)C1=NN=N[N-]1	REAL300020168960	1	44	-1.0	-46.29	393.08	7.19	-39.10
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)C1=N[N-]N=N1	REAL300020168961	0	43	-1.0	-47.67	388.36	8.02	-39.65
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)C1=NN=N[N-]1	REAL300020168961	1	43	-1.0	-47.64	388.41	8.04	-39.60
CSCC[C@H](NC(=O)C1=NN(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300020168962	0	37	-1.0	-52.54	346.06	3.61	-48.93
CSCC[C@H](NC(=O)C1=NN(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300020168962	1	37	-1.0	-52.60	346.00	3.60	-49.00
CSCC[C@H](NC(=O)C1=C(CNC(=O)OC(C)(C)C)OC=C1)C1=N[N-]N=N1	REAL300020168963	0	50	-1.0	-50.51	425.70	2.64	-47.87
CSCC[C@H](NC(=O)C1=C(CNC(=O)OC(C)(C)C)OC=C1)C1=NN=N[N-]1	REAL300020168963	1	50	-1.0	-50.50	425.75	2.65	-47.85
CSCC[C@H](NC(=O)C(F)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020168964	0	36	-1.0	-48.02	332.29	4.87	-43.15
CSCC[C@H](NC(=O)C(F)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020168964	1	36	-1.0	-48.06	332.35	4.88	-43.18
C=CCOC(=O)NCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168965	0	38	-1.0	-44.04	346.41	0.38	-43.66
C=CCOC(=O)NCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168965	1	38	-1.0	-44.01	346.47	0.40	-43.61
COC1=NC=CC(Br)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020168966	0	36	-1.0	-48.19	348.34	1.25	-46.94
COC1=NC=CC(Br)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020168966	1	36	-1.0	-48.20	348.28	1.23	-46.97
CSCC[C@H](NC(=O)C1C2CC1(C1=CC=C(F)C=C1)CC2)C1=N[N-]N=N1	REAL300020168967	0	47	-1.0	-46.68	389.58	7.62	-39.06
CSCC[C@H](NC(=O)C1C2CC1(C1=CC=C(F)C=C1)CC2)C1=NN=N[N-]1	REAL300020168967	1	47	-1.0	-46.68	389.64	7.63	-39.05
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Br	REAL300020168968	0	39	-1.0	-44.24	356.49	5.95	-38.29
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Br	REAL300020168968	1	39	-1.0	-44.23	356.55	5.97	-38.26
CSCC[C@H](NC(=O)C1=CC(=O)NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020168969	0	43	-1.0	-50.34	377.03	4.55	-45.79
CSCC[C@H](NC(=O)C1=CC(=O)NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020168969	1	43	-1.0	-50.34	376.97	4.54	-45.80
COCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)OC=C1	REAL300020168970	0	37	-1.0	-45.56	334.01	1.92	-43.64
COCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)OC=C1	REAL300020168970	1	37	-1.0	-45.59	334.06	1.93	-43.66
CSCC[C@H](NC(=O)C1=COC2=CC(F)=CC(F)=C12)C1=N[N-]N=N1	REAL300020168971	0	36	-1.0	-50.92	336.03	4.56	-46.36
CSCC[C@H](NC(=O)C1=COC2=CC(F)=CC(F)=C12)C1=NN=N[N-]1	REAL300020168971	1	36	-1.0	-50.91	336.09	4.57	-46.34
CSCC[C@H](NC(=O)C1=CN(CCCF)N=N1)C1=NN=N[N-]1	REAL300020168972	0	38	-1.0	-49.43	348.32	2.17	-47.26
CSCC[C@H](NC(=O)C1=CN(CCCF)N=N1)C1=N[N-]N=N1	REAL300020168972	1	38	-1.0	-49.51	348.26	2.16	-47.35
CCN1C=C(OC2=CN=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=N2)C=N1	REAL300020168973	0	45	-1.0	-48.72	399.84	2.09	-46.63
CCN1C=C(OC2=CN=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=N2)C=N1	REAL300020168973	1	45	-1.0	-48.72	399.78	2.07	-46.65
CSCC[C@H](NC(=O)C1=CN2N=CC(C#N)=C2N=C1)C1=NN=N[N-]1	REAL300020168974	0	36	-1.0	-45.66	341.21	3.48	-42.18
CSCC[C@H](NC(=O)C1=CN2N=CC(C#N)=C2N=C1)C1=N[N-]N=N1	REAL300020168974	1	36	-1.0	-45.63	341.15	3.46	-42.17
CSCC[C@H](NC(=O)C1=NC=C(OCC2CC2)C=C1F)C1=NN=N[N-]1	REAL300020168975	0	43	-1.0	-48.18	382.39	4.25	-43.93
CSCC[C@H](NC(=O)C1=NC=C(OCC2CC2)C=C1F)C1=N[N-]N=N1	REAL300020168975	1	43	-1.0	-48.18	382.34	4.23	-43.95
CSCC[C@H](NC(=O)C1=CC2=C(S1)N(C)N=C2)C1=N[N-]N=N1	REAL300020168976	0	36	-1.0	-46.29	339.23	3.19	-43.10
COC1=CC=CC=C1N1C=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168977	0	44	-1.0	-51.06	390.28	5.88	-45.18
COC1=CC=CC=C1N1C=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168977	1	44	-1.0	-51.08	390.23	5.87	-45.21
CSCC[C@H](NC(=O)C1=CN=C(C2CCOCC2)N=C1)C1=N[N-]N=N1	REAL300020168978	0	45	-1.0	-44.06	383.17	2.80	-41.26
CSCC[C@H](NC(=O)C1=CN=C(C2CCOCC2)N=C1)C1=NN=N[N-]1	REAL300020168978	1	45	-1.0	-44.05	383.23	2.81	-41.24
CSCC[C@H](NC(=O)C1=C(C(C)=O)C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020168979	0	43	-1.0	-55.35	378.57	4.76	-50.59
CSCC[C@H](NC(=O)C1=C(C(C)=O)C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020168979	1	43	-1.0	-55.32	378.51	4.74	-50.58
CSCC[C@H](NC(=O)C1(C(=O)N2CC3=CC=CC=C3C2)CC1)C1=N[N-]N=N1	REAL300020168980	0	48	-1.0	-47.92	414.88	5.77	-42.15
CSCC[C@H](NC(=O)C1(C(=O)N2CC3=CC=CC=C3C2)CC1)C1=NN=N[N-]1	REAL300020168980	1	48	-1.0	-47.90	414.94	5.79	-42.11
CSCC[C@H](NC(=O)C1=CC(C)=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL300020168981	0	39	-1.0	-44.93	353.95	5.80	-39.13
CSCC[C@H](NC(=O)C1=CC(C)=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL300020168981	1	39	-1.0	-44.93	354.01	5.81	-39.12
CSCC[C@H](NC(=O)C1CC2C=CCC(C2)C1)C1=N[N-]N=N1	REAL300020168982	0	44	-1.0	-45.33	351.13	5.66	-39.67
CSCC[C@H](NC(=O)C1CC2C=CCC(C2)C1)C1=NN=N[N-]1	REAL300020168982	1	44	-1.0	-45.35	351.19	5.67	-39.68
COC1=CN=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020168983	0	36	-1.0	-46.33	322.14	1.58	-44.75
COC1=CN=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020168983	1	36	-1.0	-46.32	322.08	1.57	-44.75
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(CC(C)C)=C1)C1=N[N-]N=N1	REAL300020168984	0	52	-1.0	-50.03	434.26	7.46	-42.57
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(CC(C)C)=C1)C1=NN=N[N-]1	REAL300020168984	1	52	-1.0	-50.07	434.32	7.47	-42.60
CSCC[C@H](NC(=O)C1=CC=C(N2CCC(C)CC2)C=C1)C1=N[N-]N=N1	REAL300020168985	0	51	-1.0	-46.56	411.09	5.96	-40.60
CSCC[C@H](NC(=O)C1=CC=C(N2CCC(C)CC2)C=C1)C1=NN=N[N-]1	REAL300020168985	1	51	-1.0	-46.56	411.14	5.98	-40.58
CSCC[C@H](NC(=O)C[C@H]1COC(=O)N1)C1=N[N-]N=N1	REAL300020168986	0	35	-1.0	-48.63	313.86	-0.87	-49.50
CSCC[C@H](NC(=O)C[C@H]1COC(=O)N1)C1=NN=N[N-]1	REAL300020168986	1	35	-1.0	-48.64	313.92	-0.85	-49.49
CSCC[C@H](NC(=O)CC1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL300020168987	0	35	-1.0	-44.84	331.39	3.41	-41.43
CSCC[C@H](NC(=O)CC1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL300020168987	1	35	-1.0	-44.88	331.45	3.42	-41.46
CSCC[C@H](NC(=O)C1=CC2=CC=C(O)C=C2N1)C1=N[N-]N=N1	REAL300020168988	0	38	-1.0	-45.93	342.30	1.17	-44.76
CSCC[C@H](NC(=O)C1=CC2=CC=C(O)C=C2N1)C1=NN=N[N-]1	REAL300020168988	1	38	-1.0	-45.92	342.36	1.18	-44.74
CSCC[C@H](NC(=O)C1=C2NC(C)=CC(=O)N2N=C1)C1=N[N-]N=N1	REAL300020168989	0	39	-1.0	-50.91	351.16	2.48	-48.43
CSCC[C@H](NC(=O)C1=C2NC(C)=CC(=O)N2N=C1)C1=NN=N[N-]1	REAL300020168989	1	39	-1.0	-50.89	351.21	2.49	-48.40
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=NC=CN1C)C1=N[N-]N=N1	REAL300020168990	0	44	-1.0	-46.34	376.04	3.08	-43.26
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=NC=CN1C)C1=NN=N[N-]1	REAL300020168990	1	44	-1.0	-46.36	376.10	3.10	-43.26
CSCC[C@H](NC(=O)C1=CC=CC(S(C)(=N)=O)=C1)C1=N[N-]N=N1	REAL300020168991	0	40	-1.0	-60.73	363.60	0.89	-59.84
CSCC[C@H](NC(=O)C1=CC=CC(S(C)(=N)=O)=C1)C1=NN=N[N-]1	REAL300020168991	1	40	-1.0	-60.71	363.66	0.91	-59.80
COC1=CC=C(C(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020168992	0	43	-1.0	-54.73	373.78	4.69	-50.04
COC1=CC=C(C(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020168992	1	43	-1.0	-54.73	373.84	4.70	-50.03
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1CC(F)(F)C1	REAL300020168993	0	40	-1.0	-47.07	348.13	3.95	-43.12
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1CC(F)(F)C1	REAL300020168993	1	40	-1.0	-47.06	348.18	3.97	-43.09
CSCC[C@H](NC(=O)C(C1=NNC=N1)C(C)C)C1=N[N-]N=N1	REAL300020168994	0	41	-1.0	-50.16	355.76	3.02	-47.14
CSCC[C@H](NC(=O)C(C1=NNC=N1)C(C)C)C1=NN=N[N-]1	REAL300020168994	1	41	-1.0	-50.17	355.82	3.03	-47.14
CSCC[C@H](NC(=O)COC1CCCOC1)C1=N[N-]N=N1	REAL300020168995	0	41	-1.0	-48.31	349.71	2.37	-45.94
CSCC[C@H](NC(=O)COC1CCCOC1)C1=NN=N[N-]1	REAL300020168995	1	41	-1.0	-48.32	349.76	2.39	-45.93
CSCC[C@H](NC(=O)C1CC(C)(C(C)(C)C)C1)C1=N[N-]N=N1	REAL300020168996	0	48	-1.0	-45.16	375.83	5.53	-39.63
CSCC[C@H](NC(=O)C1CC(C)(C(C)(C)C)C1)C1=NN=N[N-]1	REAL300020168996	1	48	-1.0	-45.15	375.88	5.55	-39.60
CSCC[C@H](NC(=O)C1=COC(C2=CC=C(F)C=C2)=N1)C1=NN=N[N-]1	REAL300020168997	0	39	-1.0	-44.51	364.19	2.62	-41.89
CSCC[C@H](NC(=O)C1=COC(C2=CC=C(F)C=C2)=N1)C1=N[N-]N=N1	REAL300020168997	1	39	-1.0	-44.54	364.13	2.61	-41.93
CSCC[C@H](NC(=O)COCC1=NC(C2CC2)=NO1)C1=N[N-]N=N1	REAL300020168998	0	42	-1.0	-55.28	379.60	2.26	-53.02
CSCC[C@H](NC(=O)COCC1=NC(C2CC2)=NO1)C1=NN=N[N-]1	REAL300020168998	1	42	-1.0	-55.29	379.65	2.28	-53.01
CSCC[C@H](NC(=O)CC1=CC=C2C(=C1)CCN2C)C1=N[N-]N=N1	REAL300020168999	0	45	-1.0	-48.68	382.93	4.60	-44.08
CSCC[C@H](NC(=O)CC1=CC=C2C(=C1)CCN2C)C1=NN=N[N-]1	REAL300020168999	1	45	-1.0	-48.76	382.98	4.62	-44.14
CSCC[C@H](NC(=O)CCC1=NN(C)C(C)=C1)C1=N[N-]N=N1	REAL300020169000	0	42	-1.0	-50.01	365.86	3.72	-46.29
CSCC[C@H](NC(=O)CCC1=NN(C)C(C)=C1)C1=NN=N[N-]1	REAL300020169000	1	42	-1.0	-50.02	365.92	3.73	-46.29
CSCC[C@H](NC(=O)CN1C=NC(Br)=C1)C1=NN=N[N-]1	REAL300020169001	0	33	-1.0	-50.24	324.77	4.34	-45.90
CSCC[C@H](NC(=O)CN1C=NC(Br)=C1)C1=N[N-]N=N1	REAL300020169001	1	33	-1.0	-50.22	324.71	4.33	-45.89
CSCC[C@H](NC(=O)C1C(C)(C)C1(F)F)C1=N[N-]N=N1	REAL300020169002	0	36	-1.0	-41.94	319.21	3.85	-38.09
CSCC[C@H](NC(=O)C1C(C)(C)C1(F)F)C1=NN=N[N-]1	REAL300020169002	1	36	-1.0	-41.93	319.27	3.87	-38.06
CSCC[C@H](NC(=O)[C@]12CCC[C@H]1CC(=O)C2)C1=N[N-]N=N1	REAL300020169003	0	42	-1.0	-44.88	349.59	4.36	-40.52
CSCC[C@H](NC(=O)[C@]12CCC[C@H]1CC(=O)C2)C1=NN=N[N-]1	REAL300020169003	1	42	-1.0	-44.89	349.64	4.38	-40.51
CSCC[C@H](NC(=O)C1=CC=C2C(=O)NCC2=C1)C1=N[N-]N=N1	REAL300020169004	0	38	-1.0	-48.11	339.77	1.57	-46.54
CSCC[C@H](NC(=O)C1=CC=C2C(=O)NCC2=C1)C1=NN=N[N-]1	REAL300020169004	1	38	-1.0	-48.07	339.83	1.59	-46.48
CSCC[C@H](NC(=O)C1=NC=C(Cl)C=N1)C1=NN=N[N-]1	REAL300020169005	0	31	-1.0	-46.34	307.21	2.07	-44.27
CSCC[C@H](NC(=O)C1=NC=C(Cl)C=N1)C1=N[N-]N=N1	REAL300020169005	1	31	-1.0	-46.30	307.15	2.06	-44.24
CCS(=O)(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020169006	0	44	-1.0	-53.06	392.38	1.70	-51.36
CCS(=O)(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020169006	1	44	-1.0	-53.08	392.44	1.72	-51.36
CSCC[C@H](NC(=O)C1CC(C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169007	0	56	-1.0	-54.88	442.20	6.18	-48.70
CSCC[C@H](NC(=O)C1CC(C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169007	1	56	-1.0	-54.88	442.26	6.19	-48.69
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1)C1=NN=N[N-]1	REAL300020169008	0	39	-1.0	-45.01	366.47	4.83	-40.18
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1)C1=N[N-]N=N1	REAL300020169008	1	39	-1.0	-45.01	366.42	4.81	-40.20
CSCC[C@H](NC(=O)C1=CN(CCN2CCOCC2)N=N1)C1=N[N-]N=N1	REAL300020169009	0	48	-1.0	-47.09	408.52	-0.26	-47.35
CSCC[C@H](NC(=O)C1=CN(CCN2CCOCC2)N=N1)C1=NN=N[N-]1	REAL300020169009	1	48	-1.0	-47.09	408.57	-0.24	-47.33
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)N=C1F)C1=NN=N[N-]1	REAL300020169010	0	35	-1.0	-48.70	337.63	3.40	-45.30
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)N=C1F)C1=N[N-]N=N1	REAL300020169010	1	35	-1.0	-48.70	337.57	3.39	-45.31
CSCC[C@H](NC(=O)C(C)S(N)(=O)=O)C1=N[N-]N=N1	REAL300020169011	0	34	-1.0	-59.39	314.78	-2.77	-62.16
CSCC[C@H](NC(=O)C(C)S(N)(=O)=O)C1=NN=N[N-]1	REAL300020169011	1	34	-1.0	-59.42	314.84	-2.75	-62.17
CSCC[C@H](NC(=O)C1=C2C(=NN1)N=CNC2=O)C1=N[N-]N=N1	REAL300020169012	0	35	-1.0	-57.28	322.07	1.85	-55.43
CSCC[C@H](NC(=O)C1=C2C(=NN1)N=CNC2=O)C1=NN=N[N-]1	REAL300020169012	1	35	-1.0	-57.28	322.13	1.86	-55.42
CSCC[C@H](NC(=O)C1=COC2=C1C(O)CCC2)C1=N[N-]N=N1	REAL300020169013	0	41	-1.0	-52.85	350.82	2.77	-50.08
CSCC[C@H](NC(=O)C1=COC2=C1C(O)CCC2)C1=NN=N[N-]1	REAL300020169013	1	41	-1.0	-52.85	350.88	2.78	-50.07
CSCC[C@H](NC(=O)C=CC1=NC(C)=CN1)C1=N[N-]N=N1	REAL300020169014	0	37	-1.0	-48.21	336.39	2.81	-45.40
CSCC[C@H](NC(=O)C=CC1=NC(C)=CN1)C1=NN=N[N-]1	REAL300020169014	1	37	-1.0	-48.17	336.45	2.82	-45.35
CSCC[C@H](NC(=O)C1=CC=CC=C1C(F)F)C1=N[N-]N=N1	REAL300020169015	0	36	-1.0	-53.78	322.80	5.03	-48.75
CSCC[C@H](NC(=O)C1=CC=CC=C1C(F)F)C1=NN=N[N-]1	REAL300020169015	1	36	-1.0	-53.75	322.86	5.04	-48.71
CSCC[C@H](NC(=O)C1=CC(C2=CC=CN=C2)=NO1)C1=NN=N[N-]1	REAL300020169016	0	38	-1.0	-43.35	351.27	3.31	-40.04
CSCC[C@H](NC(=O)C1=CC(C2=CC=CN=C2)=NO1)C1=N[N-]N=N1	REAL300020169016	1	38	-1.0	-43.36	351.21	3.30	-40.06
CSCC[C@H](NC(=O)C(O)C1CCCCCC1)C1=N[N-]N=N1	REAL300020169017	0	46	-1.0	-44.59	354.33	3.74	-40.85
CSCC[C@H](NC(=O)C(O)C1CCCCCC1)C1=NN=N[N-]1	REAL300020169017	1	46	-1.0	-44.63	354.39	3.76	-40.87
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1CC	REAL300020169018	0	42	-1.0	-47.31	362.26	3.91	-43.40
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1CC	REAL300020169018	1	42	-1.0	-47.28	362.32	3.93	-43.35
CSCC[C@H](NC(=O)C(O)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL300020169019	0	37	-1.0	-45.33	343.08	2.94	-42.39
CSCC[C@H](NC(=O)C(O)C1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL300020169019	1	37	-1.0	-45.35	343.14	2.96	-42.39
CSCC[C@H](NC(=O)CC1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL300020169020	0	37	-1.0	-45.80	348.37	5.19	-40.61
CSCC[C@H](NC(=O)CC1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL300020169020	1	37	-1.0	-45.80	348.43	5.20	-40.60
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)C(F)F)C1=N[N-]N=N1	REAL300020169021	0	42	-1.0	-44.87	365.96	6.12	-38.75
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)C(F)F)C1=NN=N[N-]1	REAL300020169021	1	42	-1.0	-44.84	366.02	6.14	-38.70
CSCC[C@H](NC(=O)C1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300020169022	0	41	-1.0	-47.92	351.18	4.16	-43.76
CSCC[C@H](NC(=O)C1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300020169022	1	41	-1.0	-47.92	351.24	4.17	-43.75
CSCC[C@H](NC(=O)C1=CC(C)=C(Cl)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020169023	0	38	-1.0	-42.48	356.82	5.69	-36.79
CSCC[C@H](NC(=O)C1=CC(C)=C(Cl)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020169023	1	38	-1.0	-42.51	356.88	5.71	-36.80
CSCC[C@H](NC(=O)C1=CC(C)=NC2=C1C(=O)CCC2)C1=N[N-]N=N1	REAL300020169024	0	44	-1.0	-52.12	377.62	5.78	-46.34
CSCC[C@H](NC(=O)C1=CC(C)=NC2=C1C(=O)CCC2)C1=NN=N[N-]1	REAL300020169024	1	44	-1.0	-52.07	377.68	5.79	-46.28
CSCC[C@H](NC(=O)C1=CC2(C1)CCOCC2)C1=N[N-]N=N1	REAL300020169025	0	42	-1.0	-46.00	357.28	3.74	-42.26
CSCC[C@H](NC(=O)C1=CC2(C1)CCOCC2)C1=NN=N[N-]1	REAL300020169025	1	42	-1.0	-46.00	357.34	3.76	-42.24
CSCC[C@H](NC(=O)C(F)(F)C1=CSC(N)=N1)C1=NN=N[N-]1	REAL300020169026	0	34	-1.0	-46.71	331.01	1.48	-45.23
CSCC[C@H](NC(=O)C(F)(F)C1=CSC(N)=N1)C1=N[N-]N=N1	REAL300020169026	1	34	-1.0	-46.67	330.95	1.47	-45.20
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)N1C=CC=N1	REAL300020169027	0	39	-1.0	-45.63	338.22	3.49	-42.14
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)N1C=CC=N1	REAL300020169027	1	39	-1.0	-45.65	338.17	3.48	-42.17
CCOCC1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020169028	0	39	-1.0	-47.20	362.24	1.81	-45.39
CCOCC1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020169028	1	39	-1.0	-47.16	362.29	1.82	-45.34
CSCC[C@H](NC(=O)C1=C(C)N(C2CCOC2)N=N1)C1=N[N-]N=N1	REAL300020169029	0	43	-1.0	-46.58	370.93	1.16	-45.42
CSCC[C@H](NC(=O)C1=C(C)N(C2CCOC2)N=N1)C1=NN=N[N-]1	REAL300020169029	1	43	-1.0	-46.60	370.99	1.17	-45.43
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)C(F)=C1)C1=N[N-]N=N1	REAL300020169030	0	38	-1.0	-52.81	343.29	4.59	-48.22
CSCC[C@H](NC(=O)C1=CC=C(C(C)=O)C(F)=C1)C1=NN=N[N-]1	REAL300020169030	1	38	-1.0	-52.83	343.35	4.60	-48.23
CSCC[C@H](NC(=O)C1CC2(CC(=O)N2)C1)C1=N[N-]N=N1	REAL300020169031	0	38	-1.0	-55.35	332.73	0.00	-55.35
CSCC[C@H](NC(=O)C1CC2(CC(=O)N2)C1)C1=NN=N[N-]1	REAL300020169031	1	38	-1.0	-55.35	332.79	0.01	-55.34
CSCC[C@H](NC(=O)C1CCC2=NN=NN2C1)C1=N[N-]N=N1	REAL300020169032	0	38	-1.0	-47.31	331.53	1.81	-45.50
CSCC[C@H](NC(=O)C1CCC2=NN=NN2C1)C1=NN=N[N-]1	REAL300020169032	1	38	-1.0	-47.35	331.59	1.83	-45.52
COCN1N=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169033	0	37	-1.0	-48.20	332.10	0.42	-47.78
COCN1N=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169033	1	37	-1.0	-48.21	332.04	0.41	-47.80
CSCC[C@H](NC(=O)C1=CC2=C(C)C=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL300020169034	0	40	-1.0	-43.65	368.80	5.17	-38.48
CSCC[C@H](NC(=O)C1=CC2=C(C)C=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL300020169034	1	40	-1.0	-43.66	368.86	5.19	-38.47
CSCC[C@H](NC(=O)CCC1=NC(C)=C(C)N1)C1=N[N-]N=N1	REAL300020169035	0	42	-1.0	-49.09	364.61	3.36	-45.73
CSCC[C@H](NC(=O)CCC1=NC(C)=C(C)N1)C1=NN=N[N-]1	REAL300020169035	1	42	-1.0	-49.11	364.67	3.38	-45.73
CSCC[C@H](NC(=O)CC1=CC=C(OCCCC#N)C=C1)C1=N[N-]N=N1	REAL300020169036	0	47	-1.0	-54.54	415.87	6.30	-48.24
CSCC[C@H](NC(=O)CC1=CC=C(OCCCC#N)C=C1)C1=NN=N[N-]1	REAL300020169036	1	47	-1.0	-54.49	415.92	6.32	-48.17
CSCC[C@H](NC(=O)CN1N=NN=C1C1CC1)C1=N[N-]N=N1	REAL300020169037	0	38	-1.0	-49.83	344.80	2.68	-47.15
CSCC[C@H](NC(=O)CN1N=NN=C1C1CC1)C1=NN=N[N-]1	REAL300020169037	1	38	-1.0	-49.83	344.85	2.70	-47.13
CSCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)C1=N[N-]N=N1	REAL300020169038	0	56	-1.0	-52.53	432.02	6.01	-46.52
CSCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)C1=NN=N[N-]1	REAL300020169038	1	56	-1.0	-52.56	432.08	6.02	-46.54
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169039	0	56	-1.0	-45.00	447.15	5.55	-39.45
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169039	1	56	-1.0	-45.00	447.21	5.56	-39.44
CSCC[C@H](NC(=O)CSCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169040	0	50	-1.0	-51.81	433.19	2.89	-48.92
CSCC[C@H](NC(=O)CSCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169040	1	50	-1.0	-51.82	433.25	2.91	-48.91
CSCC[C@H](NC(=O)C1(C2=CC(Cl)=CC=C2F)CCC1)C1=N[N-]N=N1	REAL300020169041	0	43	-1.0	-44.32	365.12	6.90	-37.42
CSCC[C@H](NC(=O)C1(C2=CC(Cl)=CC=C2F)CCC1)C1=NN=N[N-]1	REAL300020169041	1	43	-1.0	-44.36	365.15	6.91	-37.45
CSCC[C@H](NC(=O)C1(C2=CC(F)=CC=C2F)CCC1)C1=N[N-]N=N1	REAL300020169042	0	43	-1.0	-45.00	361.24	6.67	-38.33
CSCC[C@H](NC(=O)C1(C2=CC(F)=CC=C2F)CCC1)C1=NN=N[N-]1	REAL300020169042	1	43	-1.0	-44.95	361.28	6.69	-38.26
CSCC[C@H](NC(=O)C(O)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020169043	0	37	-1.0	-45.58	342.45	2.94	-42.64
CSCC[C@H](NC(=O)C(O)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020169043	1	37	-1.0	-45.56	342.51	2.96	-42.60
CSCC[C@H](NC(=O)C1=C(N)N(CCO)N=C1)C1=NN=N[N-]1	REAL300020169044	0	39	-1.0	-46.57	345.89	-1.64	-48.21
CSCC[C@H](NC(=O)C1=C(N)N(CCO)N=C1)C1=N[N-]N=N1	REAL300020169044	1	39	-1.0	-46.56	345.83	-1.66	-48.22
CCC1=NC(N)=NC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169045	0	39	-1.0	-44.20	337.94	2.81	-41.39
CCC1=NC(N)=NC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169045	1	39	-1.0	-44.15	338.00	2.83	-41.32
CSCC[C@H](NC(=O)CC1(N2C=NN=N2)CCSCC1)C1=NN=N[N-]1	REAL300020169046	0	45	-1.0	-61.77	376.06	4.66	-57.11
CSCC[C@H](NC(=O)CC1(N2C=NN=N2)CCSCC1)C1=N[N-]N=N1	REAL300020169046	1	45	-1.0	-61.77	376.00	4.65	-57.12
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)C(Cl)=C1)C1=N[N-]N=N1	REAL300020169047	0	37	-1.0	-51.69	344.51	1.38	-50.31
CSCC[C@H](NC(=O)C1=CC=C(C(N)=O)C(Cl)=C1)C1=NN=N[N-]1	REAL300020169047	1	37	-1.0	-51.66	344.56	1.40	-50.26
CSCC[C@H](NC(=O)C=CC1=NC2=CC=CC=C2N=C1)C1=N[N-]N=N1	REAL300020169048	0	41	-1.0	-48.37	370.86	3.98	-44.39
CSCC[C@H](NC(=O)C=CC1=NC2=CC=CC=C2N=C1)C1=NN=N[N-]1	REAL300020169048	1	41	-1.0	-48.38	370.92	4.00	-44.38
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169049	0	46	-1.0	-51.78	404.37	4.24	-47.54
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169049	1	46	-1.0	-51.75	404.43	4.26	-47.49
CSCC[C@H](NC(=O)C=CC1=CN(C)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL300020169050	0	43	-1.0	-55.11	378.35	3.64	-51.47
CSCC[C@H](NC(=O)C=CC1=CN(C)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL300020169050	1	43	-1.0	-55.16	378.41	3.65	-51.51
CCN1C=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020169051	0	36	-1.0	-50.40	339.64	3.26	-47.14
CCN1C=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020169051	1	36	-1.0	-50.41	339.58	3.24	-47.17
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=NN1C)C1=N[N-]N=N1	REAL300020169052	0	40	-1.0	-54.22	360.75	1.72	-52.50
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=NN1C)C1=NN=N[N-]1	REAL300020169052	1	40	-1.0	-54.19	360.81	1.73	-52.46
CSCC[C@H](NC(=O)[C@@H]1COC(C)(C)O1)C1=N[N-]N=N1	REAL300020169053	0	38	-1.0	-47.12	331.53	2.13	-44.99
CSCC[C@H](NC(=O)[C@@H]1COC(C)(C)O1)C1=NN=N[N-]1	REAL300020169053	1	38	-1.0	-47.10	331.59	2.14	-44.96
CSCC[C@H](NC(=O)C1=NN=C2C=CC(Br)=CN21)C1=NN=N[N-]1	REAL300020169054	0	35	-1.0	-46.10	341.32	4.99	-41.11
CSCC[C@H](NC(=O)C1=NN=C2C=CC(Br)=CN21)C1=N[N-]N=N1	REAL300020169054	1	35	-1.0	-46.09	341.26	4.97	-41.12
COC1=NC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1Br	REAL300020169055	0	36	-1.0	-47.42	340.57	1.48	-45.94
COC1=NC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1Br	REAL300020169055	1	36	-1.0	-47.44	340.51	1.47	-45.97
CSCC[C@H](NC(=O)C=CC1=CC=NC=N1)C1=N[N-]N=N1	REAL300020169056	0	35	-1.0	-46.01	324.44	3.57	-42.44
CSCC[C@H](NC(=O)C=CC1=CC=NC=N1)C1=NN=N[N-]1	REAL300020169056	1	35	-1.0	-46.03	324.49	3.59	-42.44
COC1=NSC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169057	0	37	-1.0	-44.38	351.94	1.30	-43.08
COC1=NSC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169057	1	37	-1.0	-44.38	351.99	1.32	-43.06
CSCC[C@H](NC(=O)C1=COC(C(C)C)=N1)C1=N[N-]N=N1	REAL300020169058	0	38	-1.0	-45.23	340.84	0.78	-44.45
CSCC[C@H](NC(=O)C1=COC(C(C)C)=N1)C1=NN=N[N-]1	REAL300020169058	1	38	-1.0	-45.23	340.90	0.80	-44.43
CSCC[C@H](NC(=O)C1=CC=CN2C(CC(C)C)=NN=C12)C1=N[N-]N=N1	REAL300020169059	0	47	-1.0	-58.07	401.12	7.36	-50.71
CSCC[C@H](NC(=O)C1=CC=CN2C(CC(C)C)=NN=C12)C1=NN=N[N-]1	REAL300020169059	1	47	-1.0	-58.04	401.18	7.38	-50.66
COC1(C(F)(F)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCC1	REAL300020169060	0	40	-1.0	-42.63	342.48	2.65	-39.98
COC1(C(F)(F)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCC1	REAL300020169060	1	40	-1.0	-42.67	342.54	2.66	-40.01
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1CCOCC1	REAL300020169061	0	46	-1.0	-46.99	361.93	3.78	-43.21
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1CCOCC1	REAL300020169061	1	46	-1.0	-46.90	361.98	3.80	-43.10
CSCC[C@H](NC(=O)C1=CSC(CC(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020169062	0	35	-1.0	-46.91	347.21	2.94	-43.97
CSCC[C@H](NC(=O)C1=CSC(CC(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020169062	1	35	-1.0	-46.91	347.26	2.95	-43.96
CSCC[C@H](NC(=O)CC1CC(OC(C)(C)C)C12CCC2)C1=N[N-]N=N1	REAL300020169063	0	56	-1.0	-44.73	445.70	6.77	-37.96
CSCC[C@H](NC(=O)CC1CC(OC(C)(C)C)C12CCC2)C1=NN=N[N-]1	REAL300020169063	1	56	-1.0	-44.76	445.75	6.78	-37.98
CSCC[C@H](NC(=O)CCC1CCC(=O)NC1)C1=N[N-]N=N1	REAL300020169064	0	43	-1.0	-49.65	361.61	1.74	-47.91
CSCC[C@H](NC(=O)CCC1CCC(=O)NC1)C1=NN=N[N-]1	REAL300020169064	1	43	-1.0	-49.64	361.67	1.76	-47.88
CSCC[C@H](NC(=O)CC1CSC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020169065	0	45	-1.0	-57.97	391.03	5.98	-51.99
CSCC[C@H](NC(=O)CC1CSC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020169065	1	45	-1.0	-58.00	391.08	6.00	-52.00
CSCC[C@H](NC(=O)C1=COC2=C(F)C=C(F)C=C12)C1=N[N-]N=N1	REAL300020169066	0	36	-1.0	-47.26	339.04	4.54	-42.72
CSCC[C@H](NC(=O)C1=COC2=C(F)C=C(F)C=C12)C1=NN=N[N-]1	REAL300020169066	1	36	-1.0	-47.25	339.10	4.56	-42.69
CCC1=CC=CC2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N=C21	REAL300020169067	0	44	-1.0	-48.37	382.77	6.12	-42.25
CCC1=CC=CC2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N=C21	REAL300020169067	1	44	-1.0	-48.39	382.71	6.10	-42.29
CSCC[C@H](NC(=O)C1=CC=C(C2(C(F)(F)F)CC2)C=C1)C1=N[N-]N=N1	REAL300020169068	0	43	-1.0	-46.97	384.77	6.98	-39.99
CSCC[C@H](NC(=O)C1=CC=C(C2(C(F)(F)F)CC2)C=C1)C1=NN=N[N-]1	REAL300020169068	1	43	-1.0	-46.95	384.83	7.00	-39.95
CSCC[C@H](NC(=O)C1=CN(C2=NC(C3CC3)=NS2)C=N1)C1=NN=N[N-]1	REAL300020169069	0	42	-1.0	-45.54	394.52	6.61	-38.93
CSCC[C@H](NC(=O)C1=CN(C2=NC(C3CC3)=NS2)C=N1)C1=N[N-]N=N1	REAL300020169069	1	42	-1.0	-45.53	394.47	6.59	-38.94
CSCC[C@H](NC(=O)C1(C)CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL300020169070	0	42	-1.0	-53.93	351.15	1.08	-52.85
CSCC[C@H](NC(=O)C1(C)CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL300020169070	1	42	-1.0	-53.90	351.21	1.08	-52.82
CSCC[C@H](NC(=O)C1=CC=CC=C1C(C)(F)F)C1=N[N-]N=N1	REAL300020169071	0	39	-1.0	-55.48	339.66	5.55	-49.93
CSCC[C@H](NC(=O)C1=CC=CC=C1C(C)(F)F)C1=NN=N[N-]1	REAL300020169071	1	39	-1.0	-55.49	339.72	5.56	-49.93
CSCC[C@H](NC(=O)C1(F)CCC(F)(F)CC1)C1=N[N-]N=N1	REAL300020169072	0	39	-1.0	-42.12	338.97	4.44	-37.68
CSCC[C@H](NC(=O)C1(F)CCC(F)(F)CC1)C1=NN=N[N-]1	REAL300020169072	1	39	-1.0	-42.11	339.03	4.45	-37.66
CSCC[C@H](NC(=O)C1(F)CCCOC1)C1=N[N-]N=N1	REAL300020169073	0	37	-1.0	-40.89	319.93	1.97	-38.92
CSCC[C@H](NC(=O)C1(F)CCCOC1)C1=NN=N[N-]1	REAL300020169073	1	37	-1.0	-40.87	319.98	1.98	-38.89
C=CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC=CC1	REAL300020169074	0	41	-1.0	-45.87	337.06	5.44	-40.43
C=CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC=CC1	REAL300020169074	1	41	-1.0	-45.89	337.12	5.45	-40.44
CSCC[C@H](NC(=O)C1CCCN1C1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020169075	0	48	-1.0	-51.83	400.48	-0.07	-51.90
CSCC[C@H](NC(=O)C1CCCN1C1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020169075	1	48	-1.0	-51.82	400.53	-0.05	-51.87
CSCC[C@H](NC(=O)C1=CON=C1C1CCC1)C1=N[N-]N=N1	REAL300020169076	0	39	-1.0	-46.26	342.54	4.18	-42.08
CSCC[C@H](NC(=O)C1=CON=C1C1CCC1)C1=NN=N[N-]1	REAL300020169076	1	39	-1.0	-46.23	342.59	4.21	-42.02
CSCC[C@H](NC(=O)C(F)CC1CCCC1)C1=N[N-]N=N1	REAL300020169077	0	42	-1.0	-42.78	354.24	5.19	-37.59
CSCC[C@H](NC(=O)C(F)CC1CCCC1)C1=NN=N[N-]1	REAL300020169077	1	42	-1.0	-42.78	354.30	5.20	-37.58
CSCC[C@H](NC(=O)C1CC(C)(C)C1C(F)(F)F)C1=N[N-]N=N1	REAL300020169078	0	42	-1.0	-44.01	360.36	4.92	-39.09
CSCC[C@H](NC(=O)C1CC(C)(C)C1C(F)(F)F)C1=NN=N[N-]1	REAL300020169078	1	42	-1.0	-43.98	360.42	4.93	-39.05
CSCC[C@H](NC(=O)C1CC2(C1)CCCO2)C1=N[N-]N=N1	REAL300020169079	0	41	-1.0	-51.11	344.78	3.10	-48.01
CSCC[C@H](NC(=O)C1CC2(C1)CCCO2)C1=NN=N[N-]1	REAL300020169079	1	41	-1.0	-51.10	344.83	3.11	-47.99
CSCC[C@H](NC(=O)C1(C)CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020169080	0	44	-1.0	-52.93	373.42	3.89	-49.04
CSCC[C@H](NC(=O)C1(C)CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020169080	1	44	-1.0	-52.92	373.48	3.90	-49.02
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C=C2)CCCC1)C1=N[N-]N=N1	REAL300020169081	0	49	-1.0	-52.47	403.60	7.89	-44.58
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C=C2)CCCC1)C1=NN=N[N-]1	REAL300020169081	1	49	-1.0	-52.50	403.65	7.89	-44.61
CSCC[C@H](NC(=O)C12CCCC1CC(=O)CC2)C1=N[N-]N=N1	REAL300020169082	0	45	-1.0	-48.90	354.22	5.20	-43.70
CSCC[C@H](NC(=O)C12CCCC1CC(=O)CC2)C1=NN=N[N-]1	REAL300020169082	1	45	-1.0	-48.89	354.28	5.21	-43.68
CSCC[C@H](NC(=O)C1(C2CCCO2)CC1)C1=N[N-]N=N1	REAL300020169083	0	41	-1.0	-43.66	344.25	3.57	-40.09
CSCC[C@H](NC(=O)C1(C2CCCO2)CC1)C1=NN=N[N-]1	REAL300020169083	1	41	-1.0	-43.64	344.31	3.58	-40.06
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C=C2)CCCCO1)C1=N[N-]N=N1	REAL300020169084	0	50	-1.0	-46.16	393.59	7.55	-38.61
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C=C2)CCCCO1)C1=NN=N[N-]1	REAL300020169084	1	50	-1.0	-46.16	393.63	7.56	-38.60
CSCC[C@H](NC(=O)C1=CC=C2C(=O)NCCC2=C1)C1=N[N-]N=N1	REAL300020169085	0	41	-1.0	-48.32	357.07	2.55	-45.77
CSCC[C@H](NC(=O)C1=CC=C2C(=O)NCCC2=C1)C1=NN=N[N-]1	REAL300020169085	1	41	-1.0	-48.35	357.13	2.56	-45.79
CSCC[C@H](NC(=O)C1CCC(=O)N(C(C)C)C1)C1=N[N-]N=N1	REAL300020169086	0	46	-1.0	-45.17	374.68	3.85	-41.32
CSCC[C@H](NC(=O)C1CCC(=O)N(C(C)C)C1)C1=NN=N[N-]1	REAL300020169086	1	46	-1.0	-45.19	374.74	3.86	-41.33
CSCC[C@H](NC(=O)C1=CC=C2CNC(=O)C2=C1)C1=N[N-]N=N1	REAL300020169087	0	38	-1.0	-58.82	339.73	1.59	-57.23
CSCC[C@H](NC(=O)C1=CC=C2CNC(=O)C2=C1)C1=NN=N[N-]1	REAL300020169087	1	38	-1.0	-58.80	339.79	1.60	-57.20
CCOC(=O)C1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020169088	0	38	-1.0	-48.32	363.98	2.81	-45.51
CCOC(=O)C1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020169088	1	38	-1.0	-48.27	363.93	2.79	-45.48
CSCC[C@H](NC(=O)C1=CC(C(N)=O)=NO1)C1=NN=N[N-]1	REAL300020169089	0	33	-1.0	-43.42	315.09	-1.81	-45.23
CSCC[C@H](NC(=O)C1=CC(C(N)=O)=NO1)C1=N[N-]N=N1	REAL300020169089	1	33	-1.0	-43.40	315.03	-1.83	-45.23
CSCC[C@H](NC(=O)C[C@H](C)C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020169090	0	45	-1.0	-44.99	395.74	7.01	-37.98
CSCC[C@H](NC(=O)C[C@H](C)C1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020169090	1	45	-1.0	-44.99	395.79	7.03	-37.96
CSCC[C@H](NC(=O)C[C@H](C)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020169091	0	45	-1.0	-49.05	383.02	4.66	-44.39
CSCC[C@H](NC(=O)C[C@H](C)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020169091	1	45	-1.0	-49.01	383.08	4.68	-44.33
CSCC[C@H](NC(=O)CC1CCCC2(CCC2)O1)C1=N[N-]N=N1	REAL300020169092	0	47	-1.0	-51.64	381.02	5.51	-46.13
CSCC[C@H](NC(=O)CC1CCCC2(CCC2)O1)C1=NN=N[N-]1	REAL300020169092	1	47	-1.0	-51.65	381.07	5.52	-46.13
COCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CCC1	REAL300020169093	0	41	-1.0	-46.21	346.74	3.71	-42.50
COCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CCC1	REAL300020169093	1	41	-1.0	-46.22	346.80	3.72	-42.50
CSCC[C@H](NC(=O)C1(C(F)(F)F)CCCCO1)C1=N[N-]N=N1	REAL300020169094	0	40	-1.0	-39.19	346.10	3.25	-35.94
CSCC[C@H](NC(=O)C1(C(F)(F)F)CCCCO1)C1=NN=N[N-]1	REAL300020169094	1	40	-1.0	-39.21	346.16	3.26	-35.95
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020169095	0	44	-1.0	-44.92	381.93	5.02	-39.90
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020169095	1	44	-1.0	-44.97	381.98	5.04	-39.93
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C)N=C1C)C1=N[N-]N=N1	REAL300020169096	0	45	-1.0	-50.08	387.39	4.36	-45.72
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C)N=C1C)C1=NN=N[N-]1	REAL300020169096	1	45	-1.0	-50.13	387.45	4.37	-45.76
CSCC[C@H](NC(=O)C1=CON=C1C1CCCO1)C1=N[N-]N=N1	REAL300020169097	0	40	-1.0	-49.34	351.39	2.35	-46.99
CSCC[C@H](NC(=O)C1=CON=C1C1CCCO1)C1=NN=N[N-]1	REAL300020169097	1	40	-1.0	-49.34	351.45	2.37	-46.97
CSCC[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300020169098	0	53	-1.0	-50.38	430.07	4.86	-45.52
CSCC[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300020169098	1	53	-1.0	-50.38	430.13	4.87	-45.51
CSCC[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300020169099	0	53	-1.0	-52.61	432.99	4.14	-48.47
CSCC[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300020169099	1	53	-1.0	-52.62	433.04	4.15	-48.47
CSCC[C@H](NC(=O)CN1N=CC(Br)=C1C)C1=N[N-]N=N1	REAL300020169100	0	36	-1.0	-46.89	344.77	3.24	-43.65
CSCC[C@H](NC(=O)CN1N=CC(Br)=C1C)C1=NN=N[N-]1	REAL300020169100	1	36	-1.0	-46.89	344.83	3.26	-43.63
CSCC[C@H](NC(=O)C1CNC(=O)CC12CCC2)C1=N[N-]N=N1	REAL300020169101	0	44	-1.0	-55.61	360.13	2.03	-53.58
CSCC[C@H](NC(=O)C1CNC(=O)CC12CCC2)C1=NN=N[N-]1	REAL300020169101	1	44	-1.0	-55.59	360.18	2.05	-53.54
COC1C[C@@H]2CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C[C@H]12	REAL300020169102	0	44	-1.0	-49.25	362.55	3.75	-45.50
COC1C[C@@H]2CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C[C@H]12	REAL300020169102	1	44	-1.0	-49.26	362.61	3.76	-45.50
CSCC[C@H](NC(=O)CC1COCCN1CC(F)(F)F)C1=N[N-]N=N1	REAL300020169103	0	45	-1.0	-46.39	380.67	1.33	-45.06
CSCC[C@H](NC(=O)CC1COCCN1CC(F)(F)F)C1=NN=N[N-]1	REAL300020169103	1	45	-1.0	-46.39	380.73	1.34	-45.05
CSCC[C@H](NC(=O)C1=C2C=C(C)OC2=CC=C1)C1=N[N-]N=N1	REAL300020169104	0	39	-1.0	-51.08	344.57	5.23	-45.85
CSCC[C@H](NC(=O)C1=C2C=C(C)OC2=CC=C1)C1=NN=N[N-]1	REAL300020169104	1	39	-1.0	-51.04	344.62	5.25	-45.79
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169105	0	56	-1.0	-45.43	442.29	5.58	-39.85
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169105	1	56	-1.0	-45.42	442.35	5.60	-39.82
CSCC[C@H](NC(=O)[C@H]1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020169106	0	40	-1.0	-46.41	339.56	6.07	-40.34
CSCC[C@H](NC(=O)[C@H]1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020169106	1	40	-1.0	-46.39	339.62	6.09	-40.30
CSCC[C@H](NC(=O)CC12CCC(CC1)C2(C)C)C1=N[N-]N=N1	REAL300020169107	0	49	-1.0	-46.09	374.78	6.01	-40.08
CSCC[C@H](NC(=O)CC12CCC(CC1)C2(C)C)C1=NN=N[N-]1	REAL300020169107	1	49	-1.0	-46.13	374.84	6.03	-40.10
CSCC[C@H](NC(=O)CN1C=C(C2CCOC2)C=N1)C1=NN=N[N-]1	REAL300020169108	0	44	-1.0	-51.20	379.34	2.86	-48.34
CSCC[C@H](NC(=O)CN1C=C(C2CCOC2)C=N1)C1=N[N-]N=N1	REAL300020169108	1	44	-1.0	-51.20	379.28	2.85	-48.35
CSCC[C@H](NC(=O)C1=C2C=CN=C2NC=C1)C1=NN=N[N-]1	REAL300020169109	0	36	-1.0	-60.30	321.85	3.48	-56.82
CSCC[C@H](NC(=O)C1=C2C=CN=C2NC=C1)C1=N[N-]N=N1	REAL300020169109	1	36	-1.0	-60.31	321.79	3.46	-56.85
CSCC[C@H](NC(=O)C1=C2C=CNC2=NC=C1)C1=NN=N[N-]1	REAL300020169109	1	36	-1.0	-50.47	322.03	3.36	-47.11
CSCC[C@H](NC(=O)C1=C2C=CNC2=NC=C1)C1=N[N-]N=N1	REAL300020169109	1	36	-1.0	-50.48	321.97	3.35	-47.13
CSCC[C@H](NC(=O)C1CCC2(CCC2)CC1)C1=N[N-]N=N1	REAL300020169110	0	46	-1.0	-46.45	367.13	5.98	-40.47
CSCC[C@H](NC(=O)C1CCC2(CCC2)CC1)C1=NN=N[N-]1	REAL300020169110	1	46	-1.0	-46.43	367.18	5.99	-40.44
CCC1=CC2=C(OCC2)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169111	0	44	-1.0	-53.23	375.36	6.29	-46.94
CCC1=CC2=C(OCC2)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169111	1	44	-1.0	-53.22	375.42	6.30	-46.92
CSCC[C@H](NC(=O)C1=C2C=CSC2=CC=C1)C1=NN=N[N-]1	REAL300020169112	0	36	-1.0	-48.35	330.23	5.42	-42.93
CSCC[C@H](NC(=O)C1=C2C=CSC2=CC=C1)C1=N[N-]N=N1	REAL300020169112	1	36	-1.0	-48.34	330.18	5.41	-42.93
CSCC[C@H](NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)C=C1)C1=NN=N[N-]1	REAL300020169113	0	43	-1.0	-52.58	398.43	6.26	-46.32
CSCC[C@H](NC(=O)C1=CC=C(CN2C=C(Cl)C=N2)C=C1)C1=N[N-]N=N1	REAL300020169113	1	43	-1.0	-52.53	398.38	6.24	-46.29
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CS1)C1=N[N-]N=N1	REAL300020169114	0	33	-1.0	-44.89	329.55	4.12	-40.77
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CS1)C1=NN=N[N-]1	REAL300020169114	1	33	-1.0	-44.88	329.61	4.13	-40.75
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)C=C1N)C1=N[N-]N=N1	REAL300020169115	0	40	-1.0	-47.92	362.05	-2.74	-50.66
CSCC[C@H](NC(=O)C1=CC=C(S(N)(=O)=O)C=C1N)C1=NN=N[N-]1	REAL300020169115	1	40	-1.0	-47.93	362.11	-2.73	-50.66
CSCC[C@H](NC(=O)C1=CC=CC(OCC2CC2)=C1)C1=N[N-]N=N1	REAL300020169116	0	44	-1.0	-49.69	380.54	5.89	-43.80
CSCC[C@H](NC(=O)C1=CC=CC(OCC2CC2)=C1)C1=NN=N[N-]1	REAL300020169116	1	44	-1.0	-49.65	380.59	5.91	-43.74
CSCC[C@H](NC(=O)C1=CC=C(SC)C=C1Cl)C1=N[N-]N=N1	REAL300020169117	0	37	-1.0	-46.32	350.10	5.61	-40.71
CSCC[C@H](NC(=O)C1=CC=C(SC)C=C1Cl)C1=NN=N[N-]1	REAL300020169117	1	37	-1.0	-46.38	350.16	5.63	-40.75
CSCC[C@H](NC(=O)C1=C(CNC(=O)OC(C)(C)C)C=CO1)C1=N[N-]N=N1	REAL300020169118	0	50	-1.0	-50.38	426.68	2.52	-47.86
CSCC[C@H](NC(=O)C1=C(CNC(=O)OC(C)(C)C)C=CO1)C1=NN=N[N-]1	REAL300020169118	1	50	-1.0	-50.39	426.73	2.54	-47.85
CSCC[C@H](NC(=O)C1CCC(C)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169119	0	56	-1.0	-56.08	442.46	6.13	-49.95
CSCC[C@H](NC(=O)C1CCC(C)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169119	1	56	-1.0	-56.03	442.52	6.14	-49.89
CSCC[C@H](NC(=O)C1=C2SC(C(F)F)=NC2=CC=C1)C1=N[N-]N=N1	REAL300020169120	0	38	-1.0	-51.74	361.93	4.51	-47.23
CSCC[C@H](NC(=O)C1=C2SC(C(F)F)=NC2=CC=C1)C1=NN=N[N-]1	REAL300020169120	1	38	-1.0	-51.75	361.99	4.52	-47.23
CSCC[C@H](NC(=O)C(C)(NC(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300020169121	0	55	-1.0	-41.96	427.27	3.62	-38.34
CSCC[C@H](NC(=O)C(C)(NC(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300020169121	1	55	-1.0	-41.92	427.32	3.64	-38.28
CSCC[C@H](NC(=O)C1=CC=CC(C(C)(F)F)=C1)C1=N[N-]N=N1	REAL300020169122	0	39	-1.0	-47.55	350.72	5.60	-41.95
CSCC[C@H](NC(=O)C1=CC=CC(C(C)(F)F)=C1)C1=NN=N[N-]1	REAL300020169122	1	39	-1.0	-47.53	350.78	5.61	-41.92
CSCC[C@H](NC(=O)C1=CC=C2C=CSC2=C1)C1=N[N-]N=N1	REAL300020169123	0	36	-1.0	-48.13	334.42	5.47	-42.66
CSCC[C@H](NC(=O)C1=CC=C2C=CSC2=C1)C1=NN=N[N-]1	REAL300020169123	1	36	-1.0	-48.14	334.47	5.48	-42.66
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(C)=N1	REAL300020169124	0	39	-1.0	-44.25	346.52	1.42	-42.83
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(C)=N1	REAL300020169124	1	39	-1.0	-44.24	346.58	1.44	-42.80
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=NN1C)C1=N[N-]N=N1	REAL300020169125	0	43	-1.0	-55.00	383.63	3.00	-52.00
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=NN1C)C1=NN=N[N-]1	REAL300020169125	1	43	-1.0	-55.00	383.69	3.01	-51.99
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=CO1	REAL300020169126	0	39	-1.0	-46.24	347.54	4.25	-41.99
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=CO1	REAL300020169126	1	39	-1.0	-46.23	347.59	4.27	-41.96
CSCC[C@H](NC(=O)C12CCCC1CCC2)C1=N[N-]N=N1	REAL300020169127	0	43	-1.0	-47.95	345.29	5.35	-42.60
CSCC[C@H](NC(=O)C12CCCC1CCC2)C1=NN=N[N-]1	REAL300020169127	1	43	-1.0	-47.95	345.35	5.36	-42.59
CSCC[C@H](NC(=O)C1CCC2=NC(C)=NC=C2C1)C1=N[N-]N=N1	REAL300020169128	0	44	-1.0	-45.97	373.38	4.39	-41.58
CSCC[C@H](NC(=O)C1CCC2=NC(C)=NC=C2C1)C1=NN=N[N-]1	REAL300020169128	1	44	-1.0	-45.97	373.43	4.40	-41.57
CSCC[C@H](NC(=O)CC1=C(C)OC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020169129	0	39	-1.0	-51.31	363.40	4.55	-46.76
CSCC[C@H](NC(=O)CC1=C(C)OC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020169129	1	39	-1.0	-51.29	363.46	4.57	-46.72
CCC1=NC=C2CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CCC2=N1	REAL300020169130	0	47	-1.0	-46.58	394.70	5.00	-41.58
CCC1=NC=C2CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CCC2=N1	REAL300020169130	1	47	-1.0	-46.57	394.76	5.02	-41.55
CSCC[C@H](NC(=O)C(F)(F)OC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169131	0	37	-1.0	-43.81	340.41	4.80	-39.01
CSCC[C@H](NC(=O)C(F)(F)OC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169131	1	37	-1.0	-43.84	340.35	4.79	-39.05
CSCC[C@H](NC(=O)C1=CC=C(CN2C=C(C)C=N2)C=C1)C1=NN=N[N-]1	REAL300020169132	0	46	-1.0	-52.91	403.24	6.42	-46.49
CSCC[C@H](NC(=O)C1=CC=C(CN2C=C(C)C=N2)C=C1)C1=N[N-]N=N1	REAL300020169132	1	46	-1.0	-52.90	403.19	6.41	-46.49
COCCC(C)(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169133	0	45	-1.0	-44.55	363.24	3.22	-41.33
COCCC(C)(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169133	1	45	-1.0	-44.54	363.29	3.24	-41.30
CSCC[C@H](NC(=O)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169134	0	47	-1.0	-46.74	371.33	5.41	-41.33
CSCC[C@H](NC(=O)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169134	1	47	-1.0	-46.69	371.41	5.44	-41.25
CSCC[C@H](NC(=O)[C@@H]1OCCC[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169135	0	47	-1.0	-40.03	378.81	6.38	-33.65
CSCC[C@H](NC(=O)[C@@H]1OCCC[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169135	1	47	-1.0	-39.99	378.89	6.39	-33.60
CSCC[C@H](NC(=O)C1(C)CCCNS1(=O)=O)C1=N[N-]N=N1	REAL300020169136	0	41	-1.0	-56.77	350.99	-1.16	-57.93
CSCC[C@H](NC(=O)C1(C)CCCNS1(=O)=O)C1=NN=N[N-]1	REAL300020169136	1	41	-1.0	-56.73	351.05	-1.14	-57.87
CSCC[C@H](NC(=O)C1=COC(C(F)F)=N1)C1=N[N-]N=N1	REAL300020169137	0	32	-1.0	-46.39	311.54	-0.28	-46.67
CSCC[C@H](NC(=O)C1=COC(C(F)F)=N1)C1=NN=N[N-]1	REAL300020169137	1	32	-1.0	-46.38	311.60	-0.27	-46.65
CSCC[C@H](NC(=O)CCC1=CC=C(Br)S1)C1=N[N-]N=N1	REAL300020169138	0	36	-1.0	-44.62	355.46	5.38	-39.24
CSCC[C@H](NC(=O)CCC1=CC=C(Br)S1)C1=NN=N[N-]1	REAL300020169138	1	36	-1.0	-44.63	355.52	5.39	-39.24
CSCC[C@H](NC(=O)CC1COCCO1)C1=N[N-]N=N1	REAL300020169139	0	38	-1.0	-48.83	327.13	1.71	-47.12
CSCC[C@H](NC(=O)CC1COCCO1)C1=NN=N[N-]1	REAL300020169139	1	38	-1.0	-48.83	327.19	1.73	-47.10
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169140	0	56	-1.0	-55.54	435.74	6.46	-49.08
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169140	1	56	-1.0	-55.58	435.82	6.47	-49.11
CSCC[C@H](NC(=O)CC(C)(C)C(C)(F)F)C1=N[N-]N=N1	REAL300020169141	0	41	-1.0	-42.59	339.09	4.23	-38.36
CSCC[C@H](NC(=O)CC(C)(C)C(C)(F)F)C1=NN=N[N-]1	REAL300020169141	1	41	-1.0	-42.58	339.15	4.24	-38.34
CSCC[C@H](NC(=O)C1C2CC1(C1=NN(C)C=C1)CC2)C1=NN=N[N-]1	REAL300020169142	0	47	-1.0	-50.86	392.43	5.33	-45.53
CSCC[C@H](NC(=O)C1C2CC1(C1=NN(C)C=C1)CC2)C1=N[N-]N=N1	REAL300020169142	1	47	-1.0	-50.85	392.37	5.32	-45.53
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C)S2)N1CC1CC1)C1=N[N-]N=N1	REAL300020169143	0	47	-1.0	-46.37	413.48	7.90	-38.47
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C)S2)N1CC1CC1)C1=NN=N[N-]1	REAL300020169143	1	47	-1.0	-46.36	413.54	7.92	-38.44
CSCC[C@H](NC(=O)CCC=CBr)C1=N[N-]N=N1	REAL300020169144	0	33	-1.0	-43.72	317.93	3.82	-39.90
CSCC[C@H](NC(=O)CCC=CBr)C1=NN=N[N-]1	REAL300020169144	1	33	-1.0	-43.73	317.99	3.83	-39.90
CSCC[C@H](NC(=O)C1=CC(C)=NC=C1C)C1=N[N-]N=N1	REAL300020169145	0	38	-1.0	-44.45	330.55	3.59	-40.86
CSCC[C@H](NC(=O)C1=CC(C)=NC=C1C)C1=NN=N[N-]1	REAL300020169145	1	38	-1.0	-44.47	330.60	3.61	-40.86
CSCC[C@H](NC(=O)C(C)C1=CC(C)=CC(F)=C1)C1=N[N-]N=N1	REAL300020169146	0	42	-1.0	-46.42	365.90	6.05	-40.37
CSCC[C@H](NC(=O)C(C)C1=CC(C)=CC(F)=C1)C1=NN=N[N-]1	REAL300020169146	1	42	-1.0	-46.38	365.96	6.06	-40.32
COC1=CN=C(C(F)(F)F)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169147	0	39	-1.0	-46.19	360.75	3.93	-42.26
COC1=CN=C(C(F)(F)F)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169147	1	39	-1.0	-46.18	360.69	3.91	-42.27
CSCC[C@H](NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=N[N-]N=N1	REAL300020169148	0	48	-1.0	-47.70	403.86	6.11	-41.59
CSCC[C@H](NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NN=N[N-]1	REAL300020169148	1	48	-1.0	-47.70	403.92	6.13	-41.57
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1F)C(F)F)C1=N[N-]N=N1	REAL300020169149	0	42	-1.0	-48.66	370.82	6.10	-42.56
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1F)C(F)F)C1=NN=N[N-]1	REAL300020169149	1	42	-1.0	-48.65	370.88	6.12	-42.53
CSCC[C@H](NC(=O)C1CCCC2=CC=NN21)C1=N[N-]N=N1	REAL300020169150	0	40	-1.0	-49.80	341.18	3.78	-46.02
CSCC[C@H](NC(=O)C1CCCC2=CC=NN21)C1=NN=N[N-]1	REAL300020169150	1	40	-1.0	-49.77	341.24	3.79	-45.98
CSCC[C@H](NC(=O)COC1=CC=CC=C1C(F)F)C1=N[N-]N=N1	REAL300020169151	0	40	-1.0	-55.99	363.65	5.61	-50.38
CSCC[C@H](NC(=O)COC1=CC=CC=C1C(F)F)C1=NN=N[N-]1	REAL300020169151	1	40	-1.0	-55.97	363.71	5.63	-50.34
CSCC[C@H](NC(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=N[N-]N=N1	REAL300020169152	0	40	-1.0	-52.78	357.37	6.29	-46.49
CSCC[C@H](NC(=O)C1=CC=CC(C2CC2(F)F)=C1)C1=NN=N[N-]1	REAL300020169152	1	40	-1.0	-52.77	357.43	6.31	-46.46
CSCC[C@H](NC(=O)C1=CN=C2CCCC2=C1)C1=N[N-]N=N1	REAL300020169153	0	39	-1.0	-46.43	338.07	4.17	-42.26
CSCC[C@H](NC(=O)C1=CN=C2CCCC2=C1)C1=NN=N[N-]1	REAL300020169153	1	39	-1.0	-46.44	338.13	4.18	-42.26
CSCC[C@H](NC(=O)C1=CN=C(C2CC2)N=C1C)C1=N[N-]N=N1	REAL300020169154	0	41	-1.0	-43.11	356.32	4.41	-38.70
CSCC[C@H](NC(=O)C1=CN=C(C2CC2)N=C1C)C1=NN=N[N-]1	REAL300020169154	1	41	-1.0	-43.14	356.38	4.43	-38.71
CCOC1=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)SC2=NC=C1	REAL300020169155	0	42	-1.0	-49.38	382.93	3.88	-45.50
CCOC1=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)SC2=NC=C1	REAL300020169155	1	42	-1.0	-49.37	382.87	3.87	-45.50
CSCC[C@H](NC(=O)CC1OCCC1(C)C)C1=N[N-]N=N1	REAL300020169156	0	43	-1.0	-50.79	352.34	3.68	-47.11
CSCC[C@H](NC(=O)CC1OCCC1(C)C)C1=NN=N[N-]1	REAL300020169156	1	43	-1.0	-50.75	352.40	3.69	-47.06
CSCC[C@H](NC(=O)CCC1=NN=C(C)N1C)C1=N[N-]N=N1	REAL300020169157	0	41	-1.0	-48.41	358.96	4.40	-44.01
CSCC[C@H](NC(=O)CCC1=NN=C(C)N1C)C1=NN=N[N-]1	REAL300020169157	1	41	-1.0	-48.40	359.02	4.42	-43.98
CCC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020169158	0	40	-1.0	-42.66	347.30	3.33	-39.33
CCC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020169158	1	40	-1.0	-42.67	347.36	3.35	-39.32
CSCC[C@H](NC(=O)C1=CN=C(C2CCOCC2)N=C1C)C1=N[N-]N=N1	REAL300020169159	0	48	-1.0	-43.20	399.64	3.44	-39.76
CSCC[C@H](NC(=O)C1=CN=C(C2CCOCC2)N=C1C)C1=NN=N[N-]1	REAL300020169159	1	48	-1.0	-43.18	399.70	3.46	-39.72
CSCC[C@H](NC(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C1=N[N-]N=N1	REAL300020169160	0	44	-1.0	-46.25	352.10	3.49	-42.76
CSCC[C@H](NC(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]21)C1=NN=N[N-]1	REAL300020169160	1	44	-1.0	-46.22	352.16	3.50	-42.72
CSCC[C@H](NC(=O)C1N(C(=O)OC(C)(C)C)CCC12CC2)C1=N[N-]N=N1	REAL300020169161	0	54	-1.0	-60.99	438.93	5.72	-55.27
CSCC[C@H](NC(=O)C1N(C(=O)OC(C)(C)C)CCC12CC2)C1=NN=N[N-]1	REAL300020169161	1	54	-1.0	-60.93	438.99	5.73	-55.20
CSCC[C@H](NC(=O)C1CC2CC1C1C2C1(F)F)C1=N[N-]N=N1	REAL300020169162	0	41	-1.0	-49.05	342.43	5.24	-43.81
CSCC[C@H](NC(=O)C1CC2CC1C1C2C1(F)F)C1=NN=N[N-]1	REAL300020169162	1	41	-1.0	-49.03	342.49	5.27	-43.76
CSCC[C@H](NC(=O)C1C2CC1(C1=CN=CS1)CC2)C1=NN=N[N-]1	REAL300020169163	0	43	-1.0	-46.44	369.46	4.89	-41.55
CSCC[C@H](NC(=O)C1C2CC1(C1=CN=CS1)CC2)C1=N[N-]N=N1	REAL300020169163	1	43	-1.0	-46.47	369.40	4.87	-41.60
CSCC[C@H](NC(=O)C1CCC2(CC1)COCCO2)C1=N[N-]N=N1	REAL300020169164	0	48	-1.0	-46.70	377.12	3.05	-43.65
CSCC[C@H](NC(=O)C1CCC2(CC1)COCCO2)C1=NN=N[N-]1	REAL300020169164	1	48	-1.0	-46.71	377.18	3.06	-43.65
CSCC[C@H](NC(=O)C1=CC=NC2=NC=CN=C12)C1=NN=N[N-]1	REAL300020169165	0	36	-1.0	-55.17	326.97	2.01	-53.16
CSCC[C@H](NC(=O)C1=CC=NC2=NC=CN=C12)C1=N[N-]N=N1	REAL300020169165	1	36	-1.0	-55.14	326.91	1.99	-53.15
CSCC[C@H](NC(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=N[N-]N=N1	REAL300020169166	0	36	-1.0	-45.77	352.15	5.21	-40.56
CSCC[C@H](NC(=O)C=CC1=CC=C([N+](=O)[O-])S1)C1=NN=N[N-]1	REAL300020169166	1	36	-1.0	-45.73	352.21	5.23	-40.50
CSCC[C@H](NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=N[N-]N=N1	REAL300020169167	0	44	-1.0	-46.98	379.16	6.72	-40.26
CSCC[C@H](NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)C1=NN=N[N-]1	REAL300020169167	1	44	-1.0	-47.01	379.21	6.74	-40.27
CSCC[C@H](NC(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=NN=N[N-]1	REAL300020169168	0	39	-1.0	-57.15	358.89	-2.79	-59.94
CSCC[C@H](NC(=O)C1=NN2CCNS(=O)(=O)C2=C1)C1=N[N-]N=N1	REAL300020169168	1	39	-1.0	-57.16	358.83	-2.80	-59.96
CSCC[C@H](NC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1=N[N-]N=N1	REAL300020169169	0	40	-1.0	-50.54	339.93	5.06	-45.48
CSCC[C@H](NC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1=NN=N[N-]1	REAL300020169169	1	40	-1.0	-50.54	339.99	5.07	-45.47
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C=CC(C)=N1)C1=N[N-]N=N1	REAL300020169170	0	43	-1.0	-55.16	375.70	6.10	-49.06
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C=CC(C)=N1)C1=NN=N[N-]1	REAL300020169170	1	43	-1.0	-55.17	375.76	6.12	-49.05
CSCC[C@H](NC(=O)C1=C(C)N=CN=C1C)C1=N[N-]N=N1	REAL300020169171	0	37	-1.0	-43.39	330.78	2.97	-40.42
CSCC[C@H](NC(=O)C1=C(C)N=CN=C1C)C1=NN=N[N-]1	REAL300020169171	1	37	-1.0	-43.37	330.84	3.00	-40.37
CSCC[C@H](NC(=O)C1(C2=C(F)C=CC=C2Cl)CCC1)C1=N[N-]N=N1	REAL300020169172	0	43	-1.0	-47.32	379.85	6.72	-40.60
CSCC[C@H](NC(=O)C1(C2=C(F)C=CC=C2Cl)CCC1)C1=NN=N[N-]1	REAL300020169172	1	43	-1.0	-47.35	379.91	6.73	-40.62
CSCC[C@H](NC(=O)C1=C(C)OC(Br)=C1C)C1=N[N-]N=N1	REAL300020169173	0	36	-1.0	-42.48	346.70	4.16	-38.32
CSCC[C@H](NC(=O)C1=C(C)OC(Br)=C1C)C1=NN=N[N-]1	REAL300020169173	1	36	-1.0	-42.51	346.75	4.17	-38.34
CSCC[C@H](NC(=O)[C@H]1[C@@H]2C[C@@]1(C1=CC=NN1C)CC2)C1=NN=N[N-]1	REAL300020169174	0	47	-1.0	-52.33	386.90	5.06	-47.27
CSCC[C@H](NC(=O)[C@H]1[C@@H]2C[C@@]1(C1=CC=NN1C)CC2)C1=N[N-]N=N1	REAL300020169174	1	47	-1.0	-52.32	386.85	5.04	-47.28
CSCC[C@H](NC(=O)C12CC(C)(C1)OC21CCC1)C1=N[N-]N=N1	REAL300020169175	0	45	-1.0	-45.48	369.19	4.13	-41.35
CSCC[C@H](NC(=O)C12CC(C)(C1)OC21CCC1)C1=NN=N[N-]1	REAL300020169175	1	45	-1.0	-45.49	369.25	4.14	-41.35
CSCC[C@H](NC(=O)C12CC(C)(C1)OC21CCOCC1)C1=N[N-]N=N1	REAL300020169176	0	49	-1.0	-47.61	390.69	2.79	-44.82
CSCC[C@H](NC(=O)C12CC(C)(C1)OC21CCOCC1)C1=NN=N[N-]1	REAL300020169176	1	49	-1.0	-47.61	390.74	2.81	-44.80
CSCC[C@H](NC(=O)C1=C(C(C)C)OC=C1C)C1=N[N-]N=N1	REAL300020169177	0	42	-1.0	-47.12	367.80	4.85	-42.27
CSCC[C@H](NC(=O)C1=C(C(C)C)OC=C1C)C1=NN=N[N-]1	REAL300020169177	1	42	-1.0	-47.12	367.85	4.87	-42.25
CSCC[C@H](NC(=O)C1=CC(C)=NC(C)=N1)C1=N[N-]N=N1	REAL300020169178	0	37	-1.0	-44.25	333.31	2.73	-41.52
CSCC[C@H](NC(=O)C1=CC(C)=NC(C)=N1)C1=NN=N[N-]1	REAL300020169178	1	37	-1.0	-44.24	333.37	2.75	-41.49
CSCC[C@H](NC(=O)C1=CC2=C(CCCNC2=O)O1)C1=N[N-]N=N1	REAL300020169179	0	41	-1.0	-52.34	359.27	1.42	-50.92
CSCC[C@H](NC(=O)C1=CC2=C(CCCNC2=O)O1)C1=NN=N[N-]1	REAL300020169179	1	41	-1.0	-52.35	359.33	1.43	-50.92
CSCC[C@H](NC(=O)C1=C2C=C(F)C=CC2=NN1)C1=N[N-]N=N1	REAL300020169180	0	36	-1.0	-46.73	330.97	2.85	-43.88
CSCC[C@H](NC(=O)C1=C2C=C(F)C=CC2=NN1)C1=NN=N[N-]1	REAL300020169180	1	36	-1.0	-46.74	331.03	2.87	-43.87
CSCC[C@H](NC(=O)C1(C)CS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020169181	0	36	-1.0	-49.64	323.20	-0.44	-50.08
CSCC[C@H](NC(=O)C1(C)CS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020169181	1	36	-1.0	-49.61	323.26	-0.42	-50.03
COC1=CC=C(C23CC(CC2)C3C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020169182	0	51	-1.0	-49.06	417.86	6.87	-42.19
COC1=CC=C(C23CC(CC2)C3C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020169182	1	51	-1.0	-49.07	417.92	6.89	-42.18
CSCC[C@H](NC(=O)C1(C2CCOCC2)CCOCC1)C1=N[N-]N=N1	REAL300020169183	0	51	-1.0	-50.08	385.84	3.44	-46.64
CSCC[C@H](NC(=O)C1(C2CCOCC2)CCOCC1)C1=NN=N[N-]1	REAL300020169183	1	51	-1.0	-50.11	385.91	3.46	-46.65
CSCC[C@H](NC(=O)C1=CC=CC=C1C1CC1(F)F)C1=N[N-]N=N1	REAL300020169184	0	40	-1.0	-49.49	354.14	6.30	-43.19
CSCC[C@H](NC(=O)C1=CC=CC=C1C1CC1(F)F)C1=NN=N[N-]1	REAL300020169184	1	40	-1.0	-49.51	354.20	6.32	-43.19
CSCC[C@H](NC(=O)C1=CN=NN1C1CC1)C1=NN=N[N-]1	REAL300020169185	0	36	-1.0	-43.01	324.16	2.06	-40.95
CSCC[C@H](NC(=O)C1=CN=NN1C1CC1)C1=N[N-]N=N1	REAL300020169185	1	36	-1.0	-43.02	324.11	2.06	-40.96
CSCC[C@H](NC(=O)C(O)C1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL300020169186	0	37	-1.0	-43.48	343.50	3.11	-40.37
CSCC[C@H](NC(=O)C(O)C1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL300020169186	1	37	-1.0	-43.47	343.55	3.12	-40.35
CSCC[C@H](NC(=O)C(O)C1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020169187	0	37	-1.0	-43.78	348.75	3.01	-40.77
CSCC[C@H](NC(=O)C(O)C1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020169187	1	37	-1.0	-43.82	348.81	3.02	-40.80
CCC1=NN(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1Cl	REAL300020169188	0	39	-1.0	-41.74	363.22	3.54	-38.20
CCC1=NN(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1Cl	REAL300020169188	1	39	-1.0	-41.72	363.28	3.55	-38.17
CSCC[C@H](NC(=O)CSC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020169189	0	37	-1.0	-47.36	347.09	5.29	-42.07
CSCC[C@H](NC(=O)CSC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020169189	1	37	-1.0	-47.36	347.15	5.30	-42.06
CSCC[C@H](NC(=O)C1=CC2=C(C=C(Br)O2)N1)C1=N[N-]N=N1	REAL300020169190	0	34	-1.0	-44.15	333.41	2.83	-41.32
CSCC[C@H](NC(=O)C1=CC2=C(C=C(Br)O2)N1)C1=NN=N[N-]1	REAL300020169190	1	34	-1.0	-44.17	333.46	2.84	-41.33
CSCC[C@H](NC(=O)C1CCC(=O)N1CCC(F)(F)F)C1=N[N-]N=N1	REAL300020169191	0	43	-1.0	-52.79	386.96	4.37	-48.42
CSCC[C@H](NC(=O)C1CCC(=O)N1CCC(F)(F)F)C1=NN=N[N-]1	REAL300020169191	1	43	-1.0	-52.81	387.02	4.39	-48.42
CSCC[C@H](NC(=O)C1CC(=O)NC2=NC=CC=C21)C1=NN=N[N-]1	REAL300020169192	0	40	-1.0	-48.37	352.78	2.18	-46.19
CSCC[C@H](NC(=O)C1CC(=O)NC2=NC=CC=C21)C1=N[N-]N=N1	REAL300020169192	1	40	-1.0	-48.41	352.73	2.16	-46.25
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CC2)N=C1C)C1=N[N-]N=N1	REAL300020169193	0	44	-1.0	-44.12	383.12	4.62	-39.50
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CC2)N=C1C)C1=NN=N[N-]1	REAL300020169193	1	44	-1.0	-44.12	383.18	4.63	-39.49
CCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020169194	0	43	-1.0	-43.38	374.10	3.55	-39.83
CCC1=NC(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020169194	1	43	-1.0	-43.39	374.15	3.57	-39.82
CSCC[C@H](NC(=O)C1=C(C(C)C)OC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020169195	0	42	-1.0	-45.84	386.75	5.25	-40.59
CSCC[C@H](NC(=O)C1=C(C(C)C)OC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020169195	1	42	-1.0	-45.85	386.81	5.26	-40.59
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL300020169196	0	39	-1.0	-45.12	366.49	4.65	-40.47
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL300020169196	1	39	-1.0	-45.14	366.55	4.67	-40.47
CSCC[C@H](NC(=O)C1(C2CCCCO2)CC1)C1=N[N-]N=N1	REAL300020169197	0	44	-1.0	-44.52	359.78	4.42	-40.10
CSCC[C@H](NC(=O)C1(C2CCCCO2)CC1)C1=NN=N[N-]1	REAL300020169197	1	44	-1.0	-44.54	359.84	4.44	-40.10
CSCC[C@H](NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=N[N-]N=N1	REAL300020169198	0	48	-1.0	-47.70	403.86	6.11	-41.59
CSCC[C@H](NC(=O)C1=CC2=C(CC(C)(C)CC2)N=C1Cl)C1=NN=N[N-]1	REAL300020169198	1	48	-1.0	-47.70	403.92	6.13	-41.57
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NNC1=O)C1=N[N-]N=N1	REAL300020169199	0	39	-1.0	-48.34	347.21	2.15	-46.19
CSCC[C@H](NC(=O)C1=CC(C2CC2)=NNC1=O)C1=NN=N[N-]1	REAL300020169199	1	39	-1.0	-48.34	347.26	2.16	-46.18
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C=C2)CCCO1)C1=N[N-]N=N1	REAL300020169200	0	47	-1.0	-46.55	384.63	6.64	-39.91
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C=C2)CCCO1)C1=NN=N[N-]1	REAL300020169200	1	47	-1.0	-46.55	384.67	6.64	-39.91
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC(C)=C2N1)C1=N[N-]N=N1	REAL300020169201	0	43	-1.0	-45.88	373.88	5.33	-40.55
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC(C)=C2N1)C1=NN=N[N-]1	REAL300020169201	1	43	-1.0	-45.89	373.93	5.35	-40.54
CSCC[C@H](NC(=O)C1=CC2=C(N1)SC(C)=N2)C1=N[N-]N=N1	REAL300020169202	0	36	-1.0	-47.21	338.23	1.95	-45.26
CSCC[C@H](NC(=O)C1=CC2=C(N1)SC(C)=N2)C1=NN=N[N-]1	REAL300020169202	1	36	-1.0	-47.22	338.29	1.97	-45.25
CSCC[C@H](NC(=O)C1=C2COC(C)(C)C2=NN1)C1=N[N-]N=N1	REAL300020169203	0	41	-1.0	-43.67	356.83	1.16	-42.51
CSCC[C@H](NC(=O)C1=C2COC(C)(C)C2=NN1)C1=NN=N[N-]1	REAL300020169203	1	41	-1.0	-43.69	356.89	1.18	-42.51
CSCC[C@H](NC(=O)C1=CC(C2CCOCC2)=NN1)C1=N[N-]N=N1	REAL300020169204	0	44	-1.0	-44.42	373.93	1.91	-42.51
CSCC[C@H](NC(=O)C1=CC(C2CCOCC2)=NN1)C1=NN=N[N-]1	REAL300020169204	1	44	-1.0	-44.38	373.98	1.92	-42.46
CSCC[C@H](NC(=O)C=CC1=CN=CC=N1)C1=N[N-]N=N1	REAL300020169205	0	35	-1.0	-47.09	324.30	1.92	-45.17
CSCC[C@H](NC(=O)C=CC1=CN=CC=N1)C1=NN=N[N-]1	REAL300020169205	1	35	-1.0	-47.06	324.36	1.93	-45.13
CSCC[C@H](NC(=O)C1=CN(C2CCCC2)N=C1)C1=NN=N[N-]1	REAL300020169206	0	43	-1.0	-46.33	365.47	4.49	-41.84
CSCC[C@H](NC(=O)C1=CN(C2CCCC2)N=C1)C1=N[N-]N=N1	REAL300020169206	1	43	-1.0	-46.27	365.42	4.47	-41.80
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCC1)C1=N[N-]N=N1	REAL300020169207	0	51	-1.0	-44.05	410.11	6.42	-37.63
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCC1)C1=NN=N[N-]1	REAL300020169207	1	51	-1.0	-44.04	410.17	6.43	-37.61
CSCC[C@H](NC(=O)C1=NOC2=C1CC(F)(F)CC2)C1=N[N-]N=N1	REAL300020169208	0	39	-1.0	-48.68	349.68	4.19	-44.49
CSCC[C@H](NC(=O)C1=NOC2=C1CC(F)(F)CC2)C1=NN=N[N-]1	REAL300020169208	1	39	-1.0	-48.67	349.74	4.21	-44.46
CSCC[C@H](NC(=O)CCN1C=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020169209	0	42	-1.0	-46.85	371.34	5.94	-40.91
CSCC[C@H](NC(=O)CCN1C=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020169209	1	42	-1.0	-46.86	371.28	5.93	-40.93
CSCC[C@H](NC(=O)C1=CC(F)=C(C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020169210	0	38	-1.0	-48.05	350.91	6.12	-41.93
CSCC[C@H](NC(=O)C1=CC(F)=C(C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020169210	1	38	-1.0	-48.06	350.96	6.14	-41.92
CCCC1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020169211	0	38	-1.0	-46.47	349.70	3.32	-43.15
CCCC1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020169211	1	38	-1.0	-46.46	349.76	3.34	-43.12
CSCC[C@H](NC(=O)C1=C(Cl)C(C)=NN1C)C1=N[N-]N=N1	REAL300020169212	0	36	-1.0	-40.56	341.58	2.80	-37.76
CSCC[C@H](NC(=O)C1=C(Cl)C(C)=NN1C)C1=NN=N[N-]1	REAL300020169212	1	36	-1.0	-40.57	341.63	2.82	-37.75
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)N1)C1=N[N-]N=N1	REAL300020169213	0	43	-1.0	-46.24	366.38	4.22	-42.02
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)N1)C1=NN=N[N-]1	REAL300020169213	1	43	-1.0	-46.19	366.44	4.23	-41.96
CSCC[C@H](NC(=O)CS(=O)(=O)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020169214	0	39	-1.0	-59.18	365.51	1.80	-57.38
CSCC[C@H](NC(=O)CS(=O)(=O)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020169214	1	39	-1.0	-59.19	365.57	1.81	-57.38
CSCC[C@H](NC(=O)C1=CN=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020169215	0	32	-1.0	-41.47	305.29	2.30	-39.17
CSCC[C@H](NC(=O)C1=CN=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020169215	1	32	-1.0	-41.45	305.23	2.29	-39.16
COC1=CC=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NC2=N1	REAL300020169216	0	40	-1.0	-45.43	358.18	1.79	-43.64
COC1=CC=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NC2=N1	REAL300020169216	1	40	-1.0	-45.36	358.24	1.80	-43.56
COC(=O)C(OC)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169217	0	36	-1.0	-46.73	328.23	2.48	-44.25
COC(=O)C(OC)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169217	1	36	-1.0	-46.73	328.29	2.50	-44.23
COC(=O)[C@@H]1C[C@]1(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169218	0	39	-1.0	-51.14	342.68	4.66	-46.48
COC(=O)[C@@H]1C[C@]1(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169218	1	39	-1.0	-51.14	342.73	4.67	-46.47
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C)S1	REAL300020169219	0	39	-1.0	-46.12	361.60	4.55	-41.57
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C)S1	REAL300020169219	1	39	-1.0	-46.15	361.66	4.56	-41.59
CSCC[C@H](NC(=O)C1=CN=C(C2CCOCC2)NC1=O)C1=N[N-]N=N1	REAL300020169220	0	46	-1.0	-53.52	389.78	1.98	-51.54
CSCC[C@H](NC(=O)C1=CN=C(C2CCOCC2)NC1=O)C1=NN=N[N-]1	REAL300020169220	1	46	-1.0	-53.54	389.84	1.99	-51.55
CSCC[C@H](NC(=O)C1=CN=C(C(C)(C)C)N1)C1=N[N-]N=N1	REAL300020169221	0	42	-1.0	-45.98	361.91	3.22	-42.76
CSCC[C@H](NC(=O)C1=CN=C(C(C)(C)C)N1)C1=NN=N[N-]1	REAL300020169221	1	42	-1.0	-45.97	361.96	3.24	-42.73
CSCC[C@H](NC(=O)C1=C2C(F)=C(Cl)C=CN2N=C1)C1=NN=N[N-]1	REAL300020169222	0	36	-1.0	-54.37	344.67	4.41	-49.96
CSCC[C@H](NC(=O)C1=C2C(F)=C(Cl)C=CN2N=C1)C1=N[N-]N=N1	REAL300020169222	1	36	-1.0	-54.38	344.61	4.40	-49.98
COC(=O)C1=CC2=C(SC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C2)S1	REAL300020169223	0	39	-1.0	-45.31	382.69	5.31	-40.00
CSCC[C@H](NC(=O)[C@@H]1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020169224	0	40	-1.0	-45.09	337.57	5.97	-39.12
CSCC[C@H](NC(=O)[C@@H]1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020169224	1	40	-1.0	-45.09	337.63	5.99	-39.10
CCN1C=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC1=O	REAL300020169225	0	39	-1.0	-55.75	344.51	3.82	-51.93
CCN1C=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC1=O	REAL300020169225	1	39	-1.0	-55.77	344.57	3.83	-51.94
CSCC[C@H](NC(=O)C1=CC=C2CCOC2=C1)C1=N[N-]N=N1	REAL300020169226	0	38	-1.0	-50.34	333.36	3.94	-46.40
CSCC[C@H](NC(=O)C1=CC=C2CCOC2=C1)C1=NN=N[N-]1	REAL300020169226	1	38	-1.0	-50.29	333.42	3.95	-46.34
COC1=CC=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1F	REAL300020169227	0	36	-1.0	-53.27	328.96	1.79	-51.48
COC1=CC=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1F	REAL300020169227	1	36	-1.0	-53.26	328.91	1.78	-51.48
CSCC[C@H](NC(=O)C1=NN(CC#N)C=C1)C1=NN=N[N-]1	REAL300020169228	0	34	-1.0	-59.93	323.88	2.48	-57.45
CSCC[C@H](NC(=O)C1=NN(CC#N)C=C1)C1=N[N-]N=N1	REAL300020169228	1	34	-1.0	-59.90	323.83	2.47	-57.43
CSCC[C@H](NC(=O)CSC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020169229	0	37	-1.0	-46.72	357.41	5.73	-40.99
CSCC[C@H](NC(=O)CSC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020169229	1	37	-1.0	-46.75	357.47	5.75	-41.00
CSCC[C@H](NC(=O)CC1C[C@@H]2COC[C@H]12)C1=N[N-]N=N1	REAL300020169230	0	41	-1.0	-47.02	343.40	3.08	-43.94
CSCC[C@H](NC(=O)CC1C[C@@H]2COC[C@H]12)C1=NN=N[N-]1	REAL300020169230	1	41	-1.0	-46.99	343.45	3.09	-43.90
COCC1=CN=C(OC)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169231	0	43	-1.0	-51.41	377.72	1.76	-49.65
COCC1=CN=C(OC)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169231	1	43	-1.0	-51.39	377.66	1.75	-49.64
CSCC[C@H](NC(=O)CCN1C=CC2=CC(C)=CC=C21)C1=N[N-]N=N1	REAL300020169232	0	46	-1.0	-44.48	397.74	7.42	-37.06
CSCC[C@H](NC(=O)CCN1C=CC2=CC(C)=CC=C21)C1=NN=N[N-]1	REAL300020169232	1	46	-1.0	-44.47	397.80	7.43	-37.04
COC1=CC=C(C(C)=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020169233	0	44	-1.0	-45.12	381.37	5.39	-39.73
COC1=CC=C(C(C)=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020169233	1	44	-1.0	-45.10	381.43	5.40	-39.70
CSCC[C@H](NC(=O)CN1N=NC(C2CC2)=N1)C1=N[N-]N=N1	REAL300020169234	0	38	-1.0	-51.63	345.90	2.32	-49.31
CSCC[C@H](NC(=O)CN1N=NC(C2CC2)=N1)C1=NN=N[N-]1	REAL300020169234	1	38	-1.0	-51.66	345.95	2.33	-49.33
CSCC[C@H](NC(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=N[N-]N=N1	REAL300020169235	0	42	-1.0	-47.77	365.66	4.38	-43.39
CSCC[C@H](NC(=O)C1=CC=C2OC(C)(C)OC2=C1)C1=NN=N[N-]1	REAL300020169235	1	42	-1.0	-47.74	365.72	4.40	-43.34
COC1=CC=C(C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(F)F)C=C1	REAL300020169236	0	46	-1.0	-45.87	396.05	5.35	-40.52
COC1=CC=C(C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(F)F)C=C1	REAL300020169236	1	46	-1.0	-45.81	396.11	5.36	-40.45
COC1=CC2=C(OCC2)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169237	0	42	-1.0	-51.74	361.96	4.15	-47.59
COC1=CC2=C(OCC2)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169237	1	42	-1.0	-51.72	362.01	4.16	-47.56
CSCC[C@H](NC(=O)CCN1C=NC(C)=CC1=O)C1=N[N-]N=N1	REAL300020169238	0	41	-1.0	-47.67	363.98	4.17	-43.50
CSCC[C@H](NC(=O)CCN1C=NC(C)=CC1=O)C1=NN=N[N-]1	REAL300020169238	1	41	-1.0	-47.65	364.04	4.19	-43.46
CSCC[C@H](NC(=O)C1=C2OC=CC2=CC=C1Cl)C1=N[N-]N=N1	REAL300020169239	0	36	-1.0	-51.70	344.74	4.73	-46.97
CSCC[C@H](NC(=O)C1=C2OC=CC2=CC=C1Cl)C1=NN=N[N-]1	REAL300020169239	1	36	-1.0	-51.72	344.79	4.75	-46.97
CSCC[C@H](NC(=O)C1=C(C2=CC=C(F)C=C2)SC(C)=N1)C1=N[N-]N=N1	REAL300020169240	0	42	-1.0	-46.64	389.88	5.70	-40.94
CSCC[C@H](NC(=O)C1=C(C2=CC=C(F)C=C2)SC(C)=N1)C1=NN=N[N-]1	REAL300020169240	1	42	-1.0	-46.64	389.94	5.71	-40.93
CSCC[C@H](NC(=O)C1=C2SC=C(C)C2=NC=N1)C1=NN=N[N-]1	REAL300020169241	0	37	-1.0	-45.38	346.20	4.12	-41.26
CSCC[C@H](NC(=O)C1=C2SC=C(C)C2=NC=N1)C1=N[N-]N=N1	REAL300020169241	1	37	-1.0	-45.39	346.14	4.10	-41.29
CSCC[C@H](NC(=O)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020169242	0	47	-1.0	-45.75	400.35	4.31	-41.44
CSCC[C@H](NC(=O)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020169242	1	47	-1.0	-45.71	400.41	4.33	-41.38
CSCC[C@H](NC(=O)C1=CC=NN1CC#N)C1=NN=N[N-]1	REAL300020169243	0	34	-1.0	-50.60	319.35	2.43	-48.17
CSCC[C@H](NC(=O)C1=CC=NN1CC#N)C1=N[N-]N=N1	REAL300020169243	1	34	-1.0	-50.62	319.31	2.41	-48.21
CSCC[C@H](NC(=O)CN1C=C(NC(=O)OC(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300020169244	0	50	-1.0	-54.95	424.09	2.34	-52.61
CSCC[C@H](NC(=O)CN1C=C(NC(=O)OC(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300020169244	1	50	-1.0	-54.94	424.15	2.35	-52.59
CSCC[C@H](NC(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169245	0	53	-1.0	-45.50	431.20	3.50	-42.00
CSCC[C@H](NC(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169245	1	53	-1.0	-45.47	431.26	3.52	-41.95
CSCC[C@H](NC(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169246	0	56	-1.0	-49.02	457.89	4.39	-44.63
CSCC[C@H](NC(=O)CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169246	1	56	-1.0	-49.04	457.95	4.40	-44.64
CSCC[C@H](NC(=O)CCOCCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169247	0	53	-1.0	-47.42	444.11	1.67	-45.75
CSCC[C@H](NC(=O)CCOCCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169247	1	53	-1.0	-47.43	444.17	1.69	-45.74
CSCC[C@H](NC(=O)CC1=NN=C2COCCN12)C1=N[N-]N=N1	REAL300020169248	0	40	-1.0	-58.33	351.19	2.21	-56.12
CSCC[C@H](NC(=O)CC1=NN=C2COCCN12)C1=NN=N[N-]1	REAL300020169248	1	40	-1.0	-58.36	351.25	2.23	-56.13
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1N)C1=N[N-]N=N1	REAL300020169249	0	38	-1.0	-44.97	325.25	3.08	-41.89
CSCC[C@H](NC(=O)C1=CC=CC(C)=C1N)C1=NN=N[N-]1	REAL300020169249	1	38	-1.0	-44.94	325.30	3.09	-41.85
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(N)C(OC)=C1OC	REAL300020169250	0	47	-1.0	-44.55	402.67	1.64	-42.91
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(N)C(OC)=C1OC	REAL300020169250	1	47	-1.0	-44.60	402.73	1.66	-42.94
CSCC[C@H](NC(=O)C1=C(N)C=CC=C1F)C1=N[N-]N=N1	REAL300020169251	0	35	-1.0	-52.86	320.91	1.87	-50.99
CSCC[C@H](NC(=O)C1=C(N)C=CC=C1F)C1=NN=N[N-]1	REAL300020169251	1	35	-1.0	-52.86	320.96	1.88	-50.98
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL300020169252	0	35	-1.0	-40.59	338.43	3.39	-37.20
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL300020169252	1	35	-1.0	-40.60	338.49	3.40	-37.20
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1N)C1=N[N-]N=N1	REAL300020169253	0	35	-1.0	-42.66	328.61	2.92	-39.74
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1N)C1=NN=N[N-]1	REAL300020169253	1	35	-1.0	-42.72	328.67	2.94	-39.78
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1N)C1=N[N-]N=N1	REAL300020169254	0	35	-1.0	-42.89	324.05	2.82	-40.07
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1N)C1=NN=N[N-]1	REAL300020169254	1	35	-1.0	-42.88	324.11	2.83	-40.05
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1N)C1=N[N-]N=N1	REAL300020169255	0	35	-1.0	-43.56	321.72	2.89	-40.67
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1N)C1=NN=N[N-]1	REAL300020169255	1	35	-1.0	-43.56	321.77	2.90	-40.66
CSCC[C@H](NC(=O)C1=CC=CC(C(F)(F)F)=C1N)C1=N[N-]N=N1	REAL300020169256	0	38	-1.0	-43.70	341.56	3.46	-40.24
CSCC[C@H](NC(=O)C1=CC=CC(C(F)(F)F)=C1N)C1=NN=N[N-]1	REAL300020169256	1	38	-1.0	-43.73	341.62	3.48	-40.25
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C=C1N)C1=N[N-]N=N1	REAL300020169257	0	35	-1.0	-40.99	320.00	2.42	-38.57
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C=C1N)C1=NN=N[N-]1	REAL300020169257	1	35	-1.0	-40.99	320.05	2.43	-38.56
CSCC[C@H](NC(=O)C1=CC(C)=CC(Br)=C1N)C1=N[N-]N=N1	REAL300020169258	0	38	-1.0	-43.34	348.15	3.66	-39.68
CSCC[C@H](NC(=O)C1=CC(C)=CC(Br)=C1N)C1=NN=N[N-]1	REAL300020169258	1	38	-1.0	-43.33	348.21	3.68	-39.65
CSCC[C@H](NC(=O)C1=CC(F)=CC(Br)=C1N)C1=N[N-]N=N1	REAL300020169259	0	35	-1.0	-40.62	332.22	3.08	-37.54
CSCC[C@H](NC(=O)C1=CC(F)=CC(Br)=C1N)C1=NN=N[N-]1	REAL300020169259	1	35	-1.0	-40.64	332.27	3.09	-37.55
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1N)C1=N[N-]N=N1	REAL300020169260	0	35	-1.0	-44.12	312.79	2.40	-41.72
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1N)C1=NN=N[N-]1	REAL300020169260	1	35	-1.0	-44.16	312.85	2.41	-41.75
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1N)C1=N[N-]N=N1	REAL300020169261	0	35	-1.0	-43.40	325.82	3.02	-40.38
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1N)C1=NN=N[N-]1	REAL300020169261	1	35	-1.0	-43.43	325.88	3.04	-40.39
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(Cl)=C1N)C1=N[N-]N=N1	REAL300020169262	0	35	-1.0	-41.45	336.83	3.34	-38.11
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(Cl)=C1N)C1=NN=N[N-]1	REAL300020169262	1	35	-1.0	-41.47	336.89	3.36	-38.11
CSCC[C@H](NC(=O)C1=C(C)C=CC(F)=C1N)C1=N[N-]N=N1	REAL300020169263	0	38	-1.0	-44.55	339.58	2.45	-42.10
CSCC[C@H](NC(=O)C1=C(C)C=CC(F)=C1N)C1=NN=N[N-]1	REAL300020169263	1	38	-1.0	-44.51	339.64	2.46	-42.05
CSCC[C@H](NC(=O)C1=CC(F)=CC(C)=C1N)C1=N[N-]N=N1	REAL300020169264	0	38	-1.0	-43.03	331.63	3.14	-39.89
CSCC[C@H](NC(=O)C1=CC(F)=CC(C)=C1N)C1=NN=N[N-]1	REAL300020169264	1	38	-1.0	-43.06	331.69	3.16	-39.90
CSCC[C@H](NC(=O)C1=CC(Br)=CC(F)=C1N)C1=N[N-]N=N1	REAL300020169265	0	35	-1.0	-40.67	334.08	3.02	-37.65
CSCC[C@H](NC(=O)C1=CC(Br)=CC(F)=C1N)C1=NN=N[N-]1	REAL300020169265	1	35	-1.0	-40.70	334.13	3.04	-37.66
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CC=C1N)C1=N[N-]N=N1	REAL300020169266	0	38	-1.0	-42.91	345.99	3.31	-39.60
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CC=C1N)C1=NN=N[N-]1	REAL300020169266	1	38	-1.0	-42.91	346.05	3.32	-39.59
CSCC[C@H](NC(=O)C1=CC(Br)=CC(C)=C1N)C1=N[N-]N=N1	REAL300020169267	0	38	-1.0	-42.64	346.51	3.69	-38.95
CSCC[C@H](NC(=O)C1=CC(Br)=CC(C)=C1N)C1=NN=N[N-]1	REAL300020169267	1	38	-1.0	-42.64	346.57	3.70	-38.94
CSCC[C@H](NC(=O)C1=CC(Br)=C(F)C=C1N)C1=N[N-]N=N1	REAL300020169268	0	35	-1.0	-40.58	334.27	2.96	-37.62
CSCC[C@H](NC(=O)C1=CC(Br)=C(F)C=C1N)C1=NN=N[N-]1	REAL300020169268	1	35	-1.0	-40.61	334.33	2.98	-37.63
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(C)=C1N)C1=N[N-]N=N1	REAL300020169269	0	38	-1.0	-42.77	341.95	3.58	-39.19
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(C)=C1N)C1=NN=N[N-]1	REAL300020169269	1	38	-1.0	-42.78	342.00	3.60	-39.18
CSCC[C@H](NC(=O)C1=CC(C)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL300020169270	0	38	-1.0	-43.35	344.03	3.54	-39.81
CSCC[C@H](NC(=O)C1=CC(C)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL300020169270	1	38	-1.0	-43.39	344.09	3.56	-39.83
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C=C1N)C1=N[N-]N=N1	REAL300020169271	0	35	-1.0	-40.69	329.87	2.87	-37.82
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C=C1N)C1=NN=N[N-]1	REAL300020169271	1	35	-1.0	-40.70	329.93	2.88	-37.82
CSCC[C@H](NC(=O)C1=CC(N2C=C(C)C=N2)=C(F)C=C1N)C1=NN=N[N-]1	REAL300020169272	0	45	-1.0	-44.56	391.48	4.17	-40.39
CSCC[C@H](NC(=O)C1=CC(N2C=C(C)C=N2)=C(F)C=C1N)C1=N[N-]N=N1	REAL300020169272	1	45	-1.0	-44.56	391.42	4.15	-40.41
CSCC[C@H](NC(=O)C1=CC=C(Br)C(C)=C1N)C1=N[N-]N=N1	REAL300020169273	0	38	-1.0	-42.29	343.10	3.59	-38.70
CSCC[C@H](NC(=O)C1=CC=C(Br)C(C)=C1N)C1=NN=N[N-]1	REAL300020169273	1	38	-1.0	-42.29	343.16	3.60	-38.69
CSCC[C@H](NC(=O)C1=CC=C(F)C(C)=C1N)C1=N[N-]N=N1	REAL300020169274	0	38	-1.0	-42.34	330.34	3.10	-39.24
CSCC[C@H](NC(=O)C1=CC=C(F)C(C)=C1N)C1=NN=N[N-]1	REAL300020169274	1	38	-1.0	-42.39	330.40	3.12	-39.27
CSCC[C@H](NC(=O)C1=CC=C(C)C(Cl)=C1N)C1=N[N-]N=N1	REAL300020169275	0	38	-1.0	-44.09	341.30	3.46	-40.63
CSCC[C@H](NC(=O)C1=CC=C(C)C(Cl)=C1N)C1=NN=N[N-]1	REAL300020169275	1	38	-1.0	-44.08	341.36	3.48	-40.60
CSCC[C@H](NC(=O)C1=CC(C)=C(F)C=C1N)C1=N[N-]N=N1	REAL300020169276	0	38	-1.0	-42.24	334.54	3.02	-39.22
CSCC[C@H](NC(=O)C1=CC(C)=C(F)C=C1N)C1=NN=N[N-]1	REAL300020169276	1	38	-1.0	-42.23	334.60	3.03	-39.20
CSCC[C@H](NC(=O)C1=CC(F)=CC(Cl)=C1N)C1=N[N-]N=N1	REAL300020169277	0	35	-1.0	-40.66	328.12	2.94	-37.72
CSCC[C@H](NC(=O)C1=CC(F)=CC(Cl)=C1N)C1=NN=N[N-]1	REAL300020169277	1	35	-1.0	-40.71	328.18	2.96	-37.75
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(N)=C1F	REAL300020169278	0	39	-1.0	-45.53	341.96	1.72	-43.81
COC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(N)=C1F	REAL300020169278	1	39	-1.0	-45.55	342.01	1.73	-43.82
COC1=C(F)C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(N)=C1F	REAL300020169279	0	39	-1.0	-41.51	352.17	1.88	-39.63
COC1=C(F)C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(N)=C1F	REAL300020169279	1	39	-1.0	-41.52	352.22	1.90	-39.62
CSCC[C@H](NC(=O)C1=CC(Br)=CC(N)=C1N)C1=N[N-]N=N1	REAL300020169280	0	37	-1.0	-42.94	341.39	1.05	-41.89
CSCC[C@H](NC(=O)C1=CC(Br)=CC(N)=C1N)C1=NN=N[N-]1	REAL300020169280	1	37	-1.0	-42.97	341.45	1.06	-41.91
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Cl)C=C1N)C1=N[N-]N=N1	REAL300020169281	0	35	-1.0	-40.66	339.17	3.27	-37.39
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Cl)C=C1N)C1=NN=N[N-]1	REAL300020169281	1	35	-1.0	-40.66	339.23	3.29	-37.37
CSCC[C@H](NC(=O)C1=CC(F)=C(Br)C=C1N)C1=N[N-]N=N1	REAL300020169282	0	35	-1.0	-40.75	334.28	2.97	-37.78
CSCC[C@H](NC(=O)C1=CC(F)=C(Br)C=C1N)C1=NN=N[N-]1	REAL300020169282	1	35	-1.0	-40.78	334.34	2.99	-37.79
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(F)=C1N)C1=N[N-]N=N1	REAL300020169283	0	35	-1.0	-41.85	328.92	2.90	-38.95
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(F)=C1N)C1=NN=N[N-]1	REAL300020169283	1	35	-1.0	-41.86	328.98	2.91	-38.95
CSCC[C@H](NC(=O)C1=CC=C(Br)C(F)=C1N)C1=N[N-]N=N1	REAL300020169284	0	35	-1.0	-41.64	333.33	3.00	-38.64
CSCC[C@H](NC(=O)C1=CC=C(Br)C(F)=C1N)C1=NN=N[N-]1	REAL300020169284	1	35	-1.0	-41.66	333.39	3.01	-38.65
CSCC[C@H](NC(=O)C1=C(N)C=CC(F)=C1C)C1=N[N-]N=N1	REAL300020169285	0	38	-1.0	-41.85	339.43	2.38	-39.47
CSCC[C@H](NC(=O)C1=C(N)C=CC(F)=C1C)C1=NN=N[N-]1	REAL300020169285	1	38	-1.0	-41.86	339.49	2.40	-39.46
COC1=CC(OC)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(N)=C1Cl	REAL300020169286	0	43	-1.0	-48.87	386.80	1.12	-47.75
COC1=CC(OC)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(N)=C1Cl	REAL300020169286	1	43	-1.0	-48.85	386.86	1.13	-47.72
CSCC[C@H](NC(=O)CC1=CC=C(O)C=N1)C1=N[N-]N=N1	REAL300020169287	0	36	-1.0	-49.24	326.63	0.29	-48.95
CSCC[C@H](NC(=O)CC1=CC=C(O)C=N1)C1=NN=N[N-]1	REAL300020169287	1	36	-1.0	-49.27	326.69	0.31	-48.96
CSCC[C@H](NC(=O)C1=CC=C(Br)C(Cl)=N1)C1=NN=N[N-]1	REAL300020169288	0	32	-1.0	-42.22	331.10	3.35	-38.87
CSCC[C@H](NC(=O)C1=CC=C(Br)C(Cl)=N1)C1=N[N-]N=N1	REAL300020169288	1	32	-1.0	-42.21	331.04	3.34	-38.87
CSCC[C@H](NC(=O)C1=C(Cl)C=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL300020169289	0	38	-1.0	-54.25	357.32	4.74	-49.51
CSCC[C@H](NC(=O)C1=C(Cl)C=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL300020169289	1	38	-1.0	-54.26	357.26	4.73	-49.53
CSCC[C@H](NC(=O)CSCC[NH+](C)C)C1=N[N-]N=N1	REAL300020169290	0	42	0.0	-68.58	364.63	4.43	-64.15
CSCC[C@H](NC(=O)CSCC[NH+](C)C)C1=NN=N[N-]1	REAL300020169290	1	42	0.0	-68.64	364.68	4.45	-64.19
CSCC[C@H](NC(=O)CCC1=C(Br)SC=C1)C1=N[N-]N=N1	REAL300020169291	0	36	-1.0	-46.25	352.66	5.14	-41.11
CSCC[C@H](NC(=O)CCC1=C(Br)SC=C1)C1=NN=N[N-]1	REAL300020169291	1	36	-1.0	-46.23	352.72	5.15	-41.08
CSCC[C@H](NC(=O)C1=CN(C)C=C(Br)C1=O)C1=N[N-]N=N1	REAL300020169292	0	36	-1.0	-56.98	342.37	4.20	-52.78
CSCC[C@H](NC(=O)C1=CN(C)C=C(Br)C1=O)C1=NN=N[N-]1	REAL300020169292	1	36	-1.0	-57.01	342.42	4.22	-52.79
CSCC[C@H](NC(=O)CC1CC(OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL300020169293	0	55	-1.0	-44.83	436.24	6.04	-38.79
CSCC[C@H](NC(=O)CC1CC(OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL300020169293	1	55	-1.0	-44.82	436.29	6.05	-38.77
CSCC[C@H](NC(=O)C(=O)NC1=NC=CN1)C1=N[N-]N=N1	REAL300020169294	0	34	-1.0	-42.02	313.70	1.75	-40.27
CSCC[C@H](NC(=O)C(=O)NC1=NC=CN1)C1=NN=N[N-]1	REAL300020169294	1	34	-1.0	-42.06	313.75	1.76	-40.30
CSCC[C@H](NC(=O)C12CC(C1)CN2C1CC1)C1=N[N-]N=N1	REAL300020169295	0	43	-1.0	-45.88	346.44	3.59	-42.29
CSCC[C@H](NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=NN=N[N-]1	REAL300020169295	1	44	0.0	-54.46	354.67	5.11	-49.35
CSCC[C@H](NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=NN=N[N-]1	REAL300020169295	1	44	0.0	-56.74	349.19	5.74	-51.00
CSCC[C@H](NC(=O)C12CC(C1)CN2C1CC1)C1=NN=N[N-]1	REAL300020169295	1	43	-1.0	-45.92	346.49	3.59	-42.33
CSCC[C@H](NC(=O)C(F)=CC1=CNC=N1)C1=N[N-]N=N1	REAL300020169296	0	34	-1.0	-50.66	318.10	3.32	-47.34
CSCC[C@H](NC(=O)C(F)=CC1=CNC=N1)C1=NN=N[N-]1	REAL300020169296	1	34	-1.0	-50.69	318.16	3.34	-47.35
CSCC[C@H](NC(=O)C1(CC2=NNN=C2)CCOCC1)C1=N[N-]N=N1	REAL300020169297	0	46	-1.0	-47.94	376.95	1.14	-46.80
CSCC[C@H](NC(=O)C1(CC2=NNN=C2)CCOCC1)C1=NN=N[N-]1	REAL300020169297	1	46	-1.0	-47.96	377.00	1.16	-46.80
CSCC[C@H](NC(=O)C1=NN=C2C(Br)=CC=CN12)C1=NN=N[N-]1	REAL300020169298	0	35	-1.0	-47.67	341.37	4.95	-42.72
CSCC[C@H](NC(=O)C1=NN=C2C(Br)=CC=CN12)C1=N[N-]N=N1	REAL300020169298	1	35	-1.0	-47.68	341.31	4.94	-42.74
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020169299	0	41	-1.0	-44.20	357.76	3.03	-41.17
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020169299	1	41	-1.0	-44.23	357.82	3.05	-41.18
CSCC[C@H](NC(=O)C1=C(C)C2=CC(F)=CC=C2N1)C1=N[N-]N=N1	REAL300020169300	0	40	-1.0	-44.65	355.31	4.77	-39.88
CSCC[C@H](NC(=O)C1=C(C)C2=CC(F)=CC=C2N1)C1=NN=N[N-]1	REAL300020169300	1	40	-1.0	-44.61	355.36	4.79	-39.82
CSCC[C@H](NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020169301	0	40	-1.0	-47.22	357.42	5.96	-41.26
CSCC[C@H](NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020169301	1	40	-1.0	-47.24	357.48	5.98	-41.26
CSCC[C@H](NC(=O)C=CCOC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169302	0	41	-1.0	-47.80	365.28	4.98	-42.82
CSCC[C@H](NC(=O)C=CCOC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169302	1	41	-1.0	-47.85	365.34	5.00	-42.85
CSCC[C@H](NC(=O)C1=C(CN2CCOCC2)C=CO1)C1=N[N-]N=N1	REAL300020169303	0	46	-1.0	-46.79	390.04	1.28	-45.51
CSCC[C@H](NC(=O)C1=C(CN2CCOCC2)C=CO1)C1=NN=N[N-]1	REAL300020169303	1	46	-1.0	-46.76	390.10	1.29	-45.47
CSCC[C@H](NC(=O)CC1CC(=O)NC(=O)C1)C1=N[N-]N=N1	REAL300020169304	0	39	-1.0	-53.25	341.13	0.32	-52.93
CSCC[C@H](NC(=O)CC1CC(=O)NC(=O)C1)C1=NN=N[N-]1	REAL300020169304	1	39	-1.0	-53.29	341.19	0.33	-52.96
CSCC[C@H](NC(=O)C1=CC=NC2=NNC=C21)C1=NN=N[N-]1	REAL300020169305	0	35	-1.0	-48.12	317.87	2.07	-46.05
CSCC[C@H](NC(=O)C1=CC=NC2=NNC=C21)C1=N[N-]N=N1	REAL300020169305	1	35	-1.0	-48.12	317.81	2.05	-46.07
CSCC[C@H](NC(=O)CC1=CC=CC(F)=C1O)C1=N[N-]N=N1	REAL300020169306	0	37	-1.0	-54.10	338.22	2.04	-52.06
CSCC[C@H](NC(=O)CC1=CC=CC(F)=C1O)C1=NN=N[N-]1	REAL300020169306	1	37	-1.0	-54.11	338.28	2.06	-52.05
CSCC[C@H](NC(=O)C1=NNC(=S)N1C)C1=N[N-]N=N1	REAL300020169307	0	33	-1.0	-40.36	314.87	2.77	-37.59
CSCC[C@H](NC(=O)C1=NNC(=S)N1C)C1=NN=N[N-]1	REAL300020169307	1	33	-1.0	-40.30	314.93	2.79	-37.51
CSCC[C@H](NC(=O)C1=N[N-]C(=S)N1C)C1=N[N-]N=N1	REAL300020169307	1	32	-2.0	-86.19	311.46	2.60	-83.59
CSCC[C@H](NC(=O)C1=N[N-]C(=S)N1C)C1=NN=N[N-]1	REAL300020169307	1	32	-2.0	-86.16	311.52	2.62	-83.54
CSCC[C@H](NC(=O)C1CC2CC(O)CC(C2)C1)C1=N[N-]N=N1	REAL300020169308	0	47	-1.0	-47.96	367.96	2.74	-45.22
CSCC[C@H](NC(=O)C1CC2CC(O)CC(C2)C1)C1=NN=N[N-]1	REAL300020169308	1	47	-1.0	-47.98	368.01	2.76	-45.22
CSCC[C@H](NC(=O)C1=CC(C2=CC=NC=C2)=NN1)C1=N[N-]N=N1	REAL300020169309	0	39	-1.0	-44.67	354.20	2.35	-42.32
CSCC[C@H](NC(=O)C1=CC(C2=CC=NC=C2)=NN1)C1=NN=N[N-]1	REAL300020169309	1	39	-1.0	-44.70	354.26	2.36	-42.34
CSCC[C@H](NC(=O)C1=CC2=CNN=C2S1)C1=N[N-]N=N1	REAL300020169310	0	33	-1.0	-49.80	316.24	1.91	-47.89
CSCC[C@H](NC(=O)C1=CC2=CNN=C2S1)C1=NN=N[N-]1	REAL300020169310	1	33	-1.0	-49.78	316.30	1.93	-47.85
CSCC[C@H](NC(=O)C1=C(Br)SN=C1C)C1=N[N-]N=N1	REAL300020169311	0	32	-1.0	-40.81	327.71	2.80	-38.01
CSCC[C@H](NC(=O)C1=C(Br)SN=C1C)C1=NN=N[N-]1	REAL300020169311	1	32	-1.0	-40.85	327.76	2.81	-38.04
CSCC[C@H](NC(=O)C1CCC2=NC(C)=CN2C1)C1=N[N-]N=N1	REAL300020169312	0	43	-1.0	-46.70	364.20	4.81	-41.89
CSCC[C@H](NC(=O)C1CCC2=NC(C)=CN2C1)C1=NN=N[N-]1	REAL300020169312	1	43	-1.0	-46.72	364.25	4.82	-41.90
CSCC[C@H](NC(=O)C1=CN2N=C(Cl)N=C2C=C1)C1=NN=N[N-]1	REAL300020169313	0	35	-1.0	-45.82	336.51	4.32	-41.50
CSCC[C@H](NC(=O)C1=CN2N=C(Cl)N=C2C=C1)C1=N[N-]N=N1	REAL300020169313	1	35	-1.0	-45.81	336.45	4.29	-41.52
COC(=O)C1=CC(OC)=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1Cl	REAL300020169314	0	43	-1.0	-50.77	390.03	4.44	-46.33
COC(=O)C1=CC(OC)=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1Cl	REAL300020169314	1	43	-1.0	-50.76	390.09	4.46	-46.30
CSCC[C@H](NC(=O)C1=CN=CC(Br)=C1N)C1=N[N-]N=N1	REAL300020169315	0	34	-1.0	-41.40	321.82	1.19	-40.21
CSCC[C@H](NC(=O)C1=CN=CC(Br)=C1N)C1=NN=N[N-]1	REAL300020169315	1	34	-1.0	-41.42	321.88	1.20	-40.22
CSCC[C@H](NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=N[N-]N=N1	REAL300020169316	0	43	0.0	-75.76	357.72	2.21	-73.55
CSCC[C@H](NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=NN=N[N-]1	REAL300020169316	1	43	0.0	-75.75	357.78	2.22	-73.53
CSCC[C@H](NC(=O)CCN1CCCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020169317	0	48	-1.0	-47.08	389.47	5.07	-42.01
CSCC[C@H](NC(=O)CCN1CCCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020169317	1	48	-1.0	-47.12	389.53	5.08	-42.04
CSCC[C@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169318	0	50	-1.0	-50.13	419.69	-0.04	-50.17
CSCC[C@H](NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169318	1	50	-1.0	-50.13	419.75	-0.03	-50.16
CSCC[C@H](NC(=O)C1=C(NC(=O)OC(C)(C)C)OC(C)=N1)C1=N[N-]N=N1	REAL300020169319	0	49	-1.0	-46.52	419.51	0.17	-46.35
CSCC[C@H](NC(=O)C1=C(NC(=O)OC(C)(C)C)OC(C)=N1)C1=NN=N[N-]1	REAL300020169319	1	49	-1.0	-46.49	419.57	0.18	-46.31
CSCC[C@H](NC(=O)C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020169320	0	35	-1.0	-58.18	353.77	5.32	-52.86
CSCC[C@H](NC(=O)C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020169320	1	35	-1.0	-58.16	353.83	5.34	-52.82
COC(=O)C1C(F)(F)C12CC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C2	REAL300020169321	0	43	-1.0	-50.45	385.33	5.19	-45.26
COC(=O)C1C(F)(F)C12CC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C2	REAL300020169321	1	43	-1.0	-50.40	385.38	5.21	-45.19
CSCC[C@H](NC(=O)C[C@@H]1COC[C@H]1O)C1=N[N-]N=N1	REAL300020169322	0	38	-1.0	-51.39	327.39	-1.49	-52.88
CSCC[C@H](NC(=O)C[C@@H]1COC[C@H]1O)C1=NN=N[N-]1	REAL300020169322	1	38	-1.0	-51.39	327.45	-1.47	-52.86
CSCC[C@H](NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1)C1=NN=N[N-]1	REAL300020169323	0	40	0.0	-58.86	349.38	5.80	-53.06
CSCC[C@H](NC(=O)C1=CN2C(=CN=C2C)C=C1)C1=NN=N[N-]1	REAL300020169323	1	39	-1.0	-46.00	345.95	5.35	-40.65
CSCC[C@H](NC(=O)C1(C2=CC=CN=C2)CC(F)(F)C1)C1=N[N-]N=N1	REAL300020169324	0	42	-1.0	-49.05	371.99	4.65	-44.40
CSCC[C@H](NC(=O)C1(C2=CC=CN=C2)CC(F)(F)C1)C1=NN=N[N-]1	REAL300020169324	1	42	-1.0	-49.06	372.04	4.66	-44.40
C#CC[C@]1(O)C[C@@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020169325	0	39	-1.0	-50.62	345.03	1.60	-49.02
C#CC[C@]1(O)C[C@@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020169325	1	39	-1.0	-50.60	345.09	1.62	-48.98
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169326	0	36	-1.0	-47.45	340.46	3.75	-43.70
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169326	1	36	-1.0	-47.49	340.52	3.76	-43.73
CSCC[C@H](NC(=O)C1(C2=CC=C(O)C=C2)CC1)C1=N[N-]N=N1	REAL300020169327	0	41	-1.0	-49.98	361.76	3.01	-46.97
CSCC[C@H](NC(=O)C1(C2=CC=C(O)C=C2)CC1)C1=NN=N[N-]1	REAL300020169327	1	41	-1.0	-49.96	361.81	3.03	-46.93
CSCC[C@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169328	0	50	-1.0	-46.32	419.96	0.22	-46.10
CSCC[C@H](NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169328	1	50	-1.0	-46.34	420.02	0.24	-46.10
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)N1C=CN=C1	REAL300020169329	0	39	-1.0	-47.98	340.53	4.85	-43.13
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)N1C=CN=C1	REAL300020169329	1	39	-1.0	-48.00	340.59	4.87	-43.13
CSCC[C@H](NC(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300020169330	0	41	-2.0	-116.58	373.23	-0.46	-117.04
CSCC[C@H](NC(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300020169330	1	41	-2.0	-116.56	373.29	-0.44	-117.00
CSCC[C@H](NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169331	0	54	-1.0	-63.31	442.97	5.10	-58.21
CSCC[C@H](NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169331	1	54	-1.0	-63.34	443.03	5.11	-58.23
CSCC[C@H](NC(=O)C1=CON=C1C1(C)COC1)C1=NN=N[N-]1	REAL300020169332	0	40	-1.0	-45.27	350.98	1.93	-43.34
CSCC[C@H](NC(=O)C1=CON=C1C1(C)COC1)C1=N[N-]N=N1	REAL300020169332	1	40	-1.0	-45.27	350.92	1.91	-43.36
CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)O1)C1=N[N-]N=N1	REAL300020169333	0	48	-1.0	-52.62	405.29	4.26	-48.36
CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)O1)C1=NN=N[N-]1	REAL300020169333	1	48	-1.0	-52.59	405.34	4.27	-48.32
CSCC[C@H](NC(=O)C(F)=CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169334	0	47	-1.0	-43.76	406.00	2.22	-41.54
CSCC[C@H](NC(=O)C(F)=CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169334	1	47	-1.0	-43.79	406.06	2.23	-41.56
CSCC[C@H](NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169335	0	54	-1.0	-63.31	442.97	5.10	-58.21
CSCC[C@H](NC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169335	1	54	-1.0	-63.34	443.03	5.11	-58.23
CSCC[C@H](NC(=O)[C@H]1C[C@H](N2C=NN=C2)C1)C1=NN=N[N-]1	REAL300020169336	0	39	-1.0	-49.89	341.93	5.78	-44.11
CSCC[C@H](NC(=O)[C@H]1C[C@H](N2C=NN=C2)C1)C1=N[N-]N=N1	REAL300020169336	1	39	-1.0	-49.87	341.87	5.76	-44.11
CCN1CCOCC1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169337	0	45	-1.0	-47.08	363.37	0.77	-46.31
CC[N@@H+]1CCOCC1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169337	1	46	0.0	-64.41	361.55	2.85	-61.56
CC[N@H+]1CCOCC1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169337	1	46	0.0	-63.89	365.59	2.99	-60.90
CCN1CCOCC1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169337	1	45	-1.0	-47.12	363.43	0.78	-46.34
COC(CF)(OC)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020169338	0	47	-1.0	-46.17	397.86	4.53	-41.64
COC(CF)(OC)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020169338	1	47	-1.0	-46.18	397.92	4.55	-41.63
CCOC(=O)CCC(F)(F)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169339	0	41	-1.0	-44.34	371.22	4.41	-39.93
CCOC(=O)CCC(F)(F)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169339	1	41	-1.0	-44.32	371.28	4.43	-39.89
COC1=CC(OC)=C(N)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169340	0	43	-1.0	-46.18	365.95	1.00	-45.18
COC1=CC(OC)=C(N)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169340	1	43	-1.0	-46.17	366.01	1.01	-45.16
COC(=O)C1=CC=C(F)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020169341	0	42	-1.0	-49.78	376.25	5.04	-44.74
COC(=O)C1=CC=C(F)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020169341	1	42	-1.0	-49.77	376.31	5.05	-44.72
CSCC[C@H](NC(=O)[C@@H](C)C1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020169342	0	42	-1.0	-47.37	364.12	3.97	-43.40
CSCC[C@H](NC(=O)[C@@H](C)C1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020169342	1	42	-1.0	-47.34	364.17	3.99	-43.35
CSCC[C@H](NC(=O)COC1CCN(S(C)(=O)=O)CC1)C1=N[N-]N=N1	REAL300020169343	0	48	-1.0	-53.50	413.46	1.19	-52.31
CSCC[C@H](NC(=O)COC1CCN(S(C)(=O)=O)CC1)C1=NN=N[N-]1	REAL300020169343	1	48	-1.0	-53.50	413.52	1.21	-52.29
CSCC[C@H](NC(=O)C1=CC=CC(N2C=C(C)C=N2)=C1)C1=NN=N[N-]1	REAL300020169344	0	43	-1.0	-56.52	377.85	5.98	-50.54
CSCC[C@H](NC(=O)C1=CC=CC(N2C=C(C)C=N2)=C1)C1=N[N-]N=N1	REAL300020169344	1	43	-1.0	-56.51	377.79	5.96	-50.55
CSCC[C@H](NC(=O)C(C)CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020169345	0	42	-1.0	-44.26	371.68	6.16	-38.10
CSCC[C@H](NC(=O)C(C)CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020169345	1	42	-1.0	-44.25	371.74	6.17	-38.08
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2C#N)C=C1)C1=N[N-]N=N1	REAL300020169346	0	44	-1.0	-52.20	395.41	7.82	-44.38
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=C2C#N)C=C1)C1=NN=N[N-]1	REAL300020169346	1	44	-1.0	-52.28	395.47	7.84	-44.44
CSCC[C@H](NC(=O)C1=CC=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300020169347	0	39	-1.0	-47.48	345.50	6.44	-41.04
CSCC[C@H](NC(=O)C1=CC=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300020169347	1	39	-1.0	-47.46	345.44	6.43	-41.03
CSCC[C@H](NC(=O)C1=NC=C(Br)N1C)C1=NN=N[N-]1	REAL300020169348	0	33	-1.0	-42.14	319.65	3.01	-39.13
CSCC[C@H](NC(=O)C1=NC=C(Br)N1C)C1=N[N-]N=N1	REAL300020169348	1	33	-1.0	-42.10	319.59	2.99	-39.11
CSCC[C@H](NC(=O)C1=CN=C2OC=CC2=C1)C1=NN=N[N-]1	REAL300020169349	0	35	-1.0	-47.46	319.91	1.38	-46.08
CSCC[C@H](NC(=O)C1=CN=C2OC=CC2=C1)C1=N[N-]N=N1	REAL300020169349	1	35	-1.0	-47.47	319.85	1.37	-46.10
CSCC[C@H](NC(=O)CCC1=CSC(Br)=C1)C1=N[N-]N=N1	REAL300020169350	0	36	-1.0	-43.43	355.21	5.23	-38.20
CSCC[C@H](NC(=O)CCC1=CSC(Br)=C1)C1=NN=N[N-]1	REAL300020169350	1	36	-1.0	-43.37	355.27	5.25	-38.12
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C(CC2=CC=CC=C2)N1	REAL300020169351	0	50	-1.0	-50.52	427.68	7.57	-42.95
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300020169351	1	50	-1.0	-50.51	427.74	7.58	-42.93
CSCC[C@H](NC(=O)C1=CC=NN1C1CC1(F)F)C1=NN=N[N-]1	REAL300020169352	0	37	-1.0	-44.08	341.02	3.77	-40.31
CSCC[C@H](NC(=O)C1=CC=NN1C1CC1(F)F)C1=N[N-]N=N1	REAL300020169352	1	37	-1.0	-44.11	340.96	3.76	-40.35
CSCC[C@H](NC(=O)[C@H]1C[C@@H](OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169353	0	46	-1.0	-47.04	379.48	4.17	-42.87
CSCC[C@H](NC(=O)[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169353	1	46	-1.0	-47.08	379.54	4.19	-42.89
CCC(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1CCC1	REAL300020169354	0	45	-1.0	-45.64	362.76	5.64	-40.00
CCC(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1CCC1	REAL300020169354	1	45	-1.0	-45.64	362.82	5.65	-39.99
CCOC1=CC=C2NC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C(C)C2=C1	REAL300020169355	0	47	-1.0	-46.70	400.29	4.92	-41.78
CCOC1=CC=C2NC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C(C)C2=C1	REAL300020169355	1	47	-1.0	-46.69	400.34	4.93	-41.76
CCC1=CC=C2NC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C(C)C2=C1	REAL300020169356	0	46	-1.0	-45.66	391.75	6.14	-39.52
CCC1=CC=C2NC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C(C)C2=C1	REAL300020169356	1	46	-1.0	-45.69	391.80	6.16	-39.53
CSCC[C@H](NC(=O)C1=C(C)C2=C(C)C=C(C)C=C2N1)C1=N[N-]N=N1	REAL300020169357	0	46	-1.0	-45.89	384.57	5.81	-40.08
CSCC[C@H](NC(=O)C1=C(C)C2=C(C)C=C(C)C=C2N1)C1=NN=N[N-]1	REAL300020169357	1	46	-1.0	-45.93	384.63	5.83	-40.10
CSCC[C@H](NC(=O)C1=C(C)C2=CC(C(C)C)=CC=C2N1)C1=N[N-]N=N1	REAL300020169358	0	49	-1.0	-45.52	408.92	6.61	-38.91
CSCC[C@H](NC(=O)C1=C(C)C2=CC(C(C)C)=CC=C2N1)C1=NN=N[N-]1	REAL300020169358	1	49	-1.0	-45.51	408.98	6.63	-38.88
COC1=CC=CC(Br)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169359	0	37	-1.0	-50.99	350.52	3.81	-47.18
COC1=CC=CC(Br)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169359	1	37	-1.0	-51.01	350.58	3.83	-47.18
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C(C)=C2)CC1)C1=N[N-]N=N1	REAL300020169360	0	46	-1.0	-48.03	396.04	7.19	-40.84
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C(C)=C2)CC1)C1=NN=N[N-]1	REAL300020169360	1	46	-1.0	-48.04	396.10	7.20	-40.84
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C=C2C)CC1)C1=N[N-]N=N1	REAL300020169361	0	46	-1.0	-50.28	389.61	7.61	-42.67
CSCC[C@H](NC(=O)C1(CC2=CC=C(F)C=C2C)CC1)C1=NN=N[N-]1	REAL300020169361	1	46	-1.0	-50.27	389.70	7.62	-42.65
CSCC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020169362	0	46	-1.0	-47.06	378.53	6.77	-40.29
CSCC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020169362	1	46	-1.0	-46.99	378.59	6.79	-40.20
COC(=O)C1=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)SC2=CC=C1	REAL300020169363	0	42	-1.0	-55.27	387.48	6.01	-49.26
COC(=O)C1=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)SC2=CC=C1	REAL300020169363	1	42	-1.0	-55.28	387.54	6.03	-49.25
COC(=O)C1=NC=CC=C1CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169364	0	44	-1.0	-55.80	385.31	4.18	-51.62
COC(=O)C1=NC=CC=C1CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169364	1	44	-1.0	-55.80	385.25	4.17	-51.63
CSCC[C@H](NC(=O)C12CC3(C)CC(C)(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL300020169365	0	54	-1.0	-46.63	413.41	3.64	-42.99
CSCC[C@H](NC(=O)C12CC3(C)CC(C)(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL300020169365	1	54	-1.0	-46.59	413.47	3.67	-42.92
CSCC[C@H](NC(=O)C1CC(CNC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169366	0	53	-1.0	-53.58	436.24	3.45	-50.13
CSCC[C@H](NC(=O)C1CC(CNC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169366	1	53	-1.0	-53.58	436.30	3.46	-50.12
CSCC[C@H](NC(=O)C=CC1=CC=CN=C1C)C1=N[N-]N=N1	REAL300020169367	0	39	-1.0	-47.23	344.79	4.02	-43.21
CSCC[C@H](NC(=O)C=CC1=CC=CN=C1C)C1=NN=N[N-]1	REAL300020169367	1	39	-1.0	-47.29	344.84	4.03	-43.26
CSCC[C@H](NC(=O)C=CC1=CC=NC=C1C)C1=N[N-]N=N1	REAL300020169368	0	39	-1.0	-46.27	344.93	4.04	-42.23
CSCC[C@H](NC(=O)C=CC1=CC=NC=C1C)C1=NN=N[N-]1	REAL300020169368	1	39	-1.0	-46.29	344.99	4.06	-42.23
CNC(=O)C1=CN=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169369	0	43	-1.0	-52.86	383.57	1.77	-51.09
CNC(=O)C1=CN=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169369	1	43	-1.0	-52.82	383.63	1.79	-51.03
CSCC[C@H](NC(=O)C=CC1=CC=NC(Cl)=C1)C1=N[N-]N=N1	REAL300020169370	0	36	-1.0	-46.65	343.99	3.96	-42.69
CSCC[C@H](NC(=O)C=CC1=CC=NC(Cl)=C1)C1=NN=N[N-]1	REAL300020169370	1	36	-1.0	-46.64	344.05	3.97	-42.67
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1N	REAL300020169371	0	39	-1.0	-46.42	335.66	1.72	-44.70
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1N	REAL300020169371	1	39	-1.0	-46.43	335.72	1.73	-44.70
COC1=CC=C(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1N	REAL300020169372	0	42	-1.0	-47.14	362.45	1.77	-45.37
COC1=CC=C(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1N	REAL300020169372	1	42	-1.0	-47.16	362.51	1.78	-45.38
CSCC[C@H](NC(=O)C=CC1=CC=NC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020169373	0	42	-1.0	-48.69	370.82	5.58	-43.11
CSCC[C@H](NC(=O)C=CC1=CC=NC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020169373	1	42	-1.0	-48.65	370.88	5.59	-43.06
CSCC[C@H](NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020169374	0	40	-1.0	-47.22	357.42	5.96	-41.26
CSCC[C@H](NC(=O)C(C)=CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020169374	1	40	-1.0	-47.24	357.48	5.98	-41.26
CSCC[C@H](NC(=O)C(C)=CC1=CC=CS1)C1=N[N-]N=N1	REAL300020169375	0	37	-1.0	-45.42	331.41	4.69	-40.73
CSCC[C@H](NC(=O)C(C)=CC1=CC=CS1)C1=NN=N[N-]1	REAL300020169375	1	37	-1.0	-45.41	331.47	4.70	-40.71
CSCC[C@H](NC(=O)C1CCC(S(N)(=O)=O)CC1)C1=N[N-]N=N1	REAL300020169376	0	44	-1.0	-51.91	378.39	-0.76	-52.67
CSCC[C@H](NC(=O)C1CCC(S(N)(=O)=O)CC1)C1=NN=N[N-]1	REAL300020169376	1	44	-1.0	-51.94	378.45	-0.74	-52.68
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL300020169377	0	39	-1.0	-45.86	360.79	5.22	-40.64
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL300020169377	1	39	-1.0	-45.86	360.73	5.20	-40.66
CSCC[C@H](NC(=O)C(O)C1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020169378	0	37	-1.0	-44.86	352.33	3.38	-41.48
CSCC[C@H](NC(=O)C(O)C1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020169378	1	37	-1.0	-44.86	352.39	3.40	-41.46
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020169379	0	39	-1.0	-42.78	353.17	5.52	-37.26
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020169379	1	39	-1.0	-42.82	353.23	5.54	-37.28
COC1=CSC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1OC	REAL300020169380	0	38	-1.0	-48.80	350.32	3.06	-45.74
COC1=CSC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1OC	REAL300020169380	1	38	-1.0	-48.78	350.38	3.07	-45.71
CSCC[C@H](NC(=O)C(SC)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020169381	0	40	-1.0	-43.51	378.64	6.26	-37.25
CSCC[C@H](NC(=O)C(SC)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020169381	1	40	-1.0	-43.53	378.70	6.28	-37.25
CSCC[C@H](NC(=O)C1CC2CCC(C2)C1)C1=N[N-]N=N1	REAL300020169382	0	43	-1.0	-51.96	315.76	5.37	-46.59
CSCC[C@H](NC(=O)C1CC2CCC(C2)C1)C1=NN=N[N-]1	REAL300020169382	1	43	-1.0	-51.91	315.81	5.37	-46.54
CSCC[C@H](NC(=O)C1=CC2=CC=C(C)C=C2N=C1)C1=N[N-]N=N1	REAL300020169383	0	41	-1.0	-46.54	360.19	5.12	-41.42
CSCC[C@H](NC(=O)C1=CC2=CC=C(C)C=C2N=C1)C1=NN=N[N-]1	REAL300020169383	1	41	-1.0	-46.55	360.24	5.14	-41.41
COC1=C(F)C=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1F	REAL300020169384	0	37	-1.0	-50.07	341.53	3.65	-46.42
COC1=C(F)C=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1F	REAL300020169384	1	37	-1.0	-50.11	341.59	3.66	-46.45
CSCC[C@H](NC(=O)C1=CC(=O)N(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020169385	0	39	-1.0	-56.04	361.09	4.13	-51.91
CSCC[C@H](NC(=O)C1=CC(=O)N(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020169385	1	39	-1.0	-56.03	361.15	4.15	-51.88
CSCC[C@H](NC(=O)C1=CN=CC(C2=COC=C2)=C1)C1=NN=N[N-]1	REAL300020169386	0	39	-1.0	-46.61	351.77	3.90	-42.71
CSCC[C@H](NC(=O)C1=CN=CC(C2=COC=C2)=C1)C1=N[N-]N=N1	REAL300020169386	1	39	-1.0	-46.57	351.71	3.89	-42.68
CSCC[C@H](NC(=O)C1CCS(=O)(=O)C1(C)C)C1=N[N-]N=N1	REAL300020169387	0	42	-1.0	-47.73	360.28	0.88	-46.85
CSCC[C@H](NC(=O)C1CCS(=O)(=O)C1(C)C)C1=NN=N[N-]1	REAL300020169387	1	42	-1.0	-47.76	360.34	0.89	-46.87
CCCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)OC=N1	REAL300020169388	0	38	-1.0	-45.52	337.50	0.92	-44.60
CCCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)OC=N1	REAL300020169388	1	38	-1.0	-45.47	337.56	0.93	-44.54
COC1=CC(F)=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1N	REAL300020169389	0	39	-1.0	-43.17	342.91	1.76	-41.41
COC1=CC(F)=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1N	REAL300020169389	1	39	-1.0	-43.14	342.97	1.78	-41.36
CSCC[C@H](NC(=O)C1=NC(C)=CC=C1C)C1=N[N-]N=N1	REAL300020169390	0	38	-1.0	-47.58	332.41	3.65	-43.93
CSCC[C@H](NC(=O)C1=NC(C)=CC=C1C)C1=NN=N[N-]1	REAL300020169390	1	38	-1.0	-47.61	332.47	3.66	-43.95
CSCC[C@H](NC(=O)[C@H]1C[C@H](N2C=CN=N2)C1)C1=NN=N[N-]1	REAL300020169391	0	39	-1.0	-50.67	339.72	2.39	-48.28
CSCC[C@H](NC(=O)[C@H]1C[C@H](N2C=CN=N2)C1)C1=N[N-]N=N1	REAL300020169391	1	39	-1.0	-50.64	339.66	2.38	-48.26
CCCC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020169392	0	45	-1.0	-46.73	386.54	6.98	-39.75
CCCC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020169392	1	45	-1.0	-46.73	386.60	7.00	-39.73
CSCC[C@H](NC(=O)C1=CC(=O)N(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020169393	0	42	-1.0	-55.08	358.07	4.38	-50.70
CSCC[C@H](NC(=O)C1=CC(=O)N(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020169393	1	42	-1.0	-55.09	358.13	4.40	-50.69
CSCC[C@H](NC(=O)CCCCN1C(=O)CCC1=O)C1=N[N-]N=N1	REAL300020169394	0	45	-1.0	-54.33	391.89	3.80	-50.53
CSCC[C@H](NC(=O)CCCCN1C(=O)CCC1=O)C1=NN=N[N-]1	REAL300020169394	1	45	-1.0	-54.36	391.95	3.82	-50.54
CSCC[C@H](NC(=O)C(C)C(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020169395	0	45	-1.0	-47.02	379.20	6.50	-40.52
CSCC[C@H](NC(=O)C(C)C(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020169395	1	45	-1.0	-47.00	379.26	6.51	-40.49
CSCC[C@H](NC(=O)C1=CN=C(Cl)N1)C1=N[N-]N=N1	REAL300020169396	0	30	-1.0	-42.66	296.56	1.38	-41.28
CSCC[C@H](NC(=O)C1=CN=C(Cl)N1)C1=NN=N[N-]1	REAL300020169396	1	30	-1.0	-42.68	296.62	1.39	-41.29
CSCC[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)COC1)C1=N[N-]N=N1	REAL300020169397	0	51	-1.0	-47.95	420.61	1.49	-46.46
CSCC[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)COC1)C1=NN=N[N-]1	REAL300020169397	1	51	-1.0	-47.97	420.67	1.51	-46.46
C=CC1(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCOCC1	REAL300020169398	0	44	-1.0	-44.58	350.27	3.20	-41.38
C=CC1(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCOCC1	REAL300020169398	1	44	-1.0	-44.55	350.32	3.21	-41.34
CSCC[C@H](NC(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=NN=N[N-]1	REAL300020169399	0	40	-1.0	-56.02	364.68	5.33	-50.69
CSCC[C@H](NC(=O)C1=CN(C2=NN(C)C=C2)C=N1)C1=N[N-]N=N1	REAL300020169399	1	40	-1.0	-56.02	364.62	5.31	-50.71
CSCC[C@H](NC(=O)C(C)=CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020169400	0	40	-1.0	-45.70	351.94	5.95	-39.75
CSCC[C@H](NC(=O)C(C)=CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020169400	1	40	-1.0	-45.71	351.99	5.97	-39.74
CCCCC1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020169401	0	41	-1.0	-46.40	371.20	4.11	-42.29
CCCCC1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020169401	1	41	-1.0	-46.37	371.26	4.12	-42.25
CSCC[C@H](NC(=O)C1=CC=C(C(=O)CF)C=C1)C1=N[N-]N=N1	REAL300020169402	0	38	-1.0	-52.55	346.32	4.73	-47.82
CSCC[C@H](NC(=O)C1=CC=C(C(=O)CF)C=C1)C1=NN=N[N-]1	REAL300020169402	1	38	-1.0	-52.56	346.38	4.74	-47.82
CSCC[C@H](NC(=O)C1=C2C=CNC2=CN=C1)C1=NN=N[N-]1	REAL300020169403	0	36	-1.0	-52.14	321.39	2.33	-49.81
CSCC[C@H](NC(=O)C1=C2C=CNC2=CN=C1)C1=N[N-]N=N1	REAL300020169403	1	36	-1.0	-52.12	321.34	2.31	-49.81
CSCC[C@H](NC(=O)CN(C)C1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL300020169404	0	42	-1.0	-47.42	379.02	4.28	-43.14
CSCC[C@H](NC(=O)CN(C)C1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL300020169404	1	42	-1.0	-47.45	379.07	4.29	-43.16
CSCC[C@H](NC(=O)C1(C)CCC(C)(C)CC1)C1=N[N-]N=N1	REAL300020169405	0	48	-1.0	-46.14	369.65	5.62	-40.52
CSCC[C@H](NC(=O)C1(C)CCC(C)(C)CC1)C1=NN=N[N-]1	REAL300020169405	1	48	-1.0	-46.19	369.71	5.64	-40.55
CCC1=NC2=CC=CC=C2C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169406	0	44	-1.0	-47.14	373.61	5.83	-41.31
CCC1=NC2=CC=CC=C2C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169406	1	44	-1.0	-47.17	373.67	5.85	-41.32
COC1=CC=C(F)C=C1CC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020169407	0	47	-1.0	-46.92	399.93	5.88	-41.04
COC1=CC=C(F)C=C1CC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020169407	1	47	-1.0	-46.90	399.97	5.90	-41.00
CSCC[C@H](NC(=O)C1(C#N)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300020169408	0	34	-1.0	-38.56	327.50	3.58	-34.98
CSCC[C@H](NC(=O)C1(C#N)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300020169408	1	34	-1.0	-38.58	327.56	3.60	-34.98
CSCC[C@H](NC(=O)C12CC(CO1)CCC2)C1=N[N-]N=N1	REAL300020169409	0	41	-1.0	-46.64	333.98	2.95	-43.69
CSCC[C@H](NC(=O)C12CC(CO1)CCC2)C1=NN=N[N-]1	REAL300020169409	1	41	-1.0	-46.68	334.04	2.96	-43.72
CSCC[C@H](NC(=O)C1=C(Cl)C=CC2=C1OCO2)C1=N[N-]N=N1	REAL300020169410	0	36	-1.0	-50.62	343.45	3.05	-47.57
CSCC[C@H](NC(=O)C1=C(Cl)C=CC2=C1OCO2)C1=NN=N[N-]1	REAL300020169410	1	36	-1.0	-50.66	343.51	3.07	-47.59
CSCC[C@H](NC(=O)C12CC(F)(F)CC1CCCC2)C1=N[N-]N=N1	REAL300020169411	0	46	-1.0	-48.44	364.96	6.06	-42.38
CSCC[C@H](NC(=O)C12CC(F)(F)CC1CCCC2)C1=NN=N[N-]1	REAL300020169411	1	46	-1.0	-48.46	365.02	6.07	-42.39
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC(C)=C2)=NO1)C1=NN=N[N-]1	REAL300020169412	0	42	-1.0	-43.13	377.72	5.75	-37.38
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC(C)=C2)=NO1)C1=N[N-]N=N1	REAL300020169412	1	42	-1.0	-43.13	377.66	5.74	-37.39
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1)C1=NN=N[N-]1	REAL300020169413	0	39	-1.0	-41.38	372.98	5.60	-35.78
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1)C1=N[N-]N=N1	REAL300020169413	1	39	-1.0	-41.36	372.92	5.59	-35.77
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2Cl)=NO1)C1=NN=N[N-]1	REAL300020169414	0	39	-1.0	-44.56	368.66	5.76	-38.80
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2Cl)=NO1)C1=N[N-]N=N1	REAL300020169414	1	39	-1.0	-44.53	368.60	5.75	-38.78
CSCC[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300020169415	0	53	-1.0	-49.81	434.83	3.35	-46.46
CSCC[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300020169415	1	53	-1.0	-49.85	434.89	3.37	-46.48
CSCC[C@H](NC(=O)C(F)(F)C1=CN=NN1C)C1=NN=N[N-]1	REAL300020169416	0	35	-1.0	-39.50	326.81	1.16	-38.34
CSCC[C@H](NC(=O)C(F)(F)C1=CN=NN1C)C1=N[N-]N=N1	REAL300020169416	1	35	-1.0	-39.46	326.75	1.15	-38.31
CSCC[C@H](NC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=N[N-]N=N1	REAL300020169417	0	48	-1.0	-51.30	373.07	2.66	-48.64
CSCC[C@H](NC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=NN=N[N-]1	REAL300020169417	1	48	-1.0	-51.32	373.13	2.67	-48.65
CSCC[C@H](NC(=O)CC1=CC=C(C=O)N1)C1=N[N-]N=N1	REAL300020169418	0	36	-1.0	-51.67	330.92	2.08	-49.59
CSCC[C@H](NC(=O)CC1=CC=C(C=O)N1)C1=NN=N[N-]1	REAL300020169418	1	36	-1.0	-51.71	330.98	2.09	-49.62
CSCC[C@H](NC(=O)C1CC(C)N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169419	0	50	-1.0	-56.93	412.90	4.81	-52.12
CSCC[C@H](NC(=O)C1CC(C)N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169419	1	50	-1.0	-56.93	412.96	4.83	-52.10
CSCC[C@H](NC(=O)C1=CC2=NNC(=O)N2C=C1)C1=N[N-]N=N1	REAL300020169420	0	36	-1.0	-45.98	329.86	2.38	-43.60
CSCC[C@H](NC(=O)C1=CC2=NNC(=O)N2C=C1)C1=NN=N[N-]1	REAL300020169420	1	36	-1.0	-46.02	329.92	2.41	-43.61
CSCC[C@H](NC(=O)C1=CNN=C1C1=NN(C)C=C1)C1=N[N-]N=N1	REAL300020169421	0	40	-1.0	-58.23	359.57	2.19	-56.04
CSCC[C@H](NC(=O)C1=CNN=C1C1=NN(C)C=C1)C1=NN=N[N-]1	REAL300020169421	1	40	-1.0	-58.27	359.63	2.21	-56.06
CSCC[C@H](NC(=O)C1=CC=CN2C=NN=C12)C1=NN=N[N-]1	REAL300020169422	0	35	-1.0	-58.47	318.08	5.71	-52.76
CSCC[C@H](NC(=O)C1=CC=CN2C=NN=C12)C1=N[N-]N=N1	REAL300020169422	1	35	-1.0	-58.44	318.02	5.70	-52.74
CSCC[C@H](NC(=O)C1=C(C)C2=CC(C(F)(F)F)=CC=C2N1)C1=N[N-]N=N1	REAL300020169423	0	43	-1.0	-44.21	387.85	5.70	-38.51
CSCC[C@H](NC(=O)C1=C(C)C2=CC(C(F)(F)F)=CC=C2N1)C1=NN=N[N-]1	REAL300020169423	1	43	-1.0	-44.18	387.91	5.72	-38.46
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC(C)=C2N1)C1=N[N-]N=N1	REAL300020169424	0	43	-1.0	-45.81	370.10	5.35	-40.46
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC(C)=C2N1)C1=NN=N[N-]1	REAL300020169424	1	43	-1.0	-45.82	370.16	5.37	-40.45
CSCC[C@H](NC(=O)C1=C(C)NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020169425	0	44	-1.0	-48.08	380.37	6.07	-42.01
CSCC[C@H](NC(=O)C1=C(C)NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020169425	1	44	-1.0	-48.10	380.43	6.08	-42.02
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300020169426	0	47	-1.0	-48.53	401.72	6.79	-41.74
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300020169426	1	47	-1.0	-48.53	401.77	6.81	-41.72
CCCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N1	REAL300020169427	0	40	-1.0	-46.71	349.54	3.96	-42.75
CCCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N1	REAL300020169427	1	40	-1.0	-46.74	349.60	3.98	-42.76
CSCC[C@H](NC(=O)C12CCOC1CCOC2)C1=N[N-]N=N1	REAL300020169428	0	42	-1.0	-48.39	339.91	2.48	-45.91
CSCC[C@H](NC(=O)C12CCOC1CCOC2)C1=NN=N[N-]1	REAL300020169428	1	42	-1.0	-48.37	339.96	2.50	-45.87
CSCC[C@H](NC(=O)C1(CC(C)=O)CCCC1)C1=N[N-]N=N1	REAL300020169429	0	44	-1.0	-56.39	361.87	5.60	-50.79
CSCC[C@H](NC(=O)C1(CC(C)=O)CCCC1)C1=NN=N[N-]1	REAL300020169429	1	44	-1.0	-56.36	361.93	5.62	-50.74
CSCC[C@H](NC(=O)C(C1CC1)C1CCCO1)C1=N[N-]N=N1	REAL300020169430	0	44	-1.0	-44.94	366.69	4.23	-40.71
CSCC[C@H](NC(=O)C(C1CC1)C1CCCO1)C1=NN=N[N-]1	REAL300020169430	1	44	-1.0	-44.98	366.74	4.24	-40.74
CCC1=CN2C(=N1)C=CC=C2C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169431	0	42	-1.0	-50.96	364.15	5.81	-45.15
CCC1=CN2C(=N1)C=CC=C2C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169431	1	42	-1.0	-51.02	364.20	5.83	-45.19
CSCC[C@H](NC(=O)CC1CCCC(C#N)C1)C1=N[N-]N=N1	REAL300020169432	0	43	-1.0	-47.15	362.17	5.32	-41.83
CSCC[C@H](NC(=O)CC1CCCC(C#N)C1)C1=NN=N[N-]1	REAL300020169432	1	43	-1.0	-47.17	362.22	5.34	-41.83
CCOC(=O)C12CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)(C1)OC2	REAL300020169433	0	44	-1.0	-47.51	384.47	3.23	-44.28
CCOC(=O)C12CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)(C1)OC2	REAL300020169433	1	44	-1.0	-47.50	384.52	3.24	-44.26
CSCC[C@H](NC(=O)CC1CC(C)(C)OC(C)(C)C1)C1=N[N-]N=N1	REAL300020169434	0	52	-1.0	-45.50	407.97	5.30	-40.20
CSCC[C@H](NC(=O)CC1CC(C)(C)OC(C)(C)C1)C1=NN=N[N-]1	REAL300020169434	1	52	-1.0	-45.48	408.03	5.31	-40.17
CSCC[C@H](NC(=O)CC1CCN2C=NC=C2C1)C1=N[N-]N=N1	REAL300020169435	0	43	-1.0	-54.08	360.76	5.69	-48.39
CSCC[C@H](NC(=O)CC1CCN2C=NC=C2C1)C1=NN=N[N-]1	REAL300020169435	1	43	-1.0	-54.06	360.81	5.71	-48.35
CSCC[C@H](NC(=O)CCCCCN1C=NN=N1)C1=NN=N[N-]1	REAL300020169436	0	43	-1.0	-57.06	377.64	4.29	-52.77
CSCC[C@H](NC(=O)CCCCCN1C=NN=N1)C1=N[N-]N=N1	REAL300020169436	1	43	-1.0	-57.07	377.58	4.28	-52.79
CSCC[C@H](NC(=O)CCC1=NC=C(F)C=N1)C1=N[N-]N=N1	REAL300020169437	0	37	-1.0	-46.00	339.96	2.82	-43.18
CSCC[C@H](NC(=O)CCC1=NC=C(F)C=N1)C1=NN=N[N-]1	REAL300020169437	1	37	-1.0	-46.05	340.02	2.84	-43.21
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)NCC2=C1)C1=N[N-]N=N1	REAL300020169438	0	40	-1.0	-48.46	351.81	1.18	-47.28
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)NCC2=C1)C1=NN=N[N-]1	REAL300020169438	1	40	-1.0	-48.48	351.87	1.19	-47.29
CSCC[C@H](NC(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169439	0	42	-1.0	-44.79	374.42	6.20	-38.59
CSCC[C@H](NC(=O)C(CC(F)(F)F)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169439	1	42	-1.0	-44.79	374.47	6.21	-38.58
CSCC[C@H](NC(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300020169440	0	39	-1.0	-52.80	355.58	4.14	-48.66
CSCC[C@H](NC(=O)C1=NN(C)C2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300020169440	1	39	-1.0	-52.82	355.52	4.13	-48.69
CSCC[C@H](NC(=O)C1=COC2=C1CS(=O)(=O)C2)C1=N[N-]N=N1	REAL300020169441	0	37	-1.0	-54.66	346.25	-0.02	-54.68
CSCC[C@H](NC(=O)C1=COC2=C1CS(=O)(=O)C2)C1=NN=N[N-]1	REAL300020169441	1	37	-1.0	-54.66	346.31	0.00	-54.66
CSCC[C@H](NC(=O)C1=CC=C(C2CCOC2)C=C1)C1=N[N-]N=N1	REAL300020169442	0	44	-1.0	-47.17	372.28	4.68	-42.49
CSCC[C@H](NC(=O)C1=CC=C(C2CCOC2)C=C1)C1=NN=N[N-]1	REAL300020169442	1	44	-1.0	-47.17	372.33	4.69	-42.48
CSCC[C@H](NC(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=NN=N[N-]1	REAL300020169443	0	39	-1.0	-45.25	360.99	2.94	-42.31
CSCC[C@H](NC(=O)C1=CC(C2=CN(C)N=C2)=NO1)C1=N[N-]N=N1	REAL300020169443	1	39	-1.0	-45.23	360.93	2.93	-42.30
CSCC[C@H](NC(=O)C1=CN=CC2=C1CCCC2)C1=N[N-]N=N1	REAL300020169444	0	42	-1.0	-45.91	349.66	4.78	-41.13
CSCC[C@H](NC(=O)C1=CN=CC2=C1CCCC2)C1=NN=N[N-]1	REAL300020169444	1	42	-1.0	-45.91	349.72	4.80	-41.11
CSCC[C@H](NC(=O)C1=C2C(C)=CC=CN2N=C1)C1=NN=N[N-]1	REAL300020169445	0	39	-1.0	-51.15	338.29	4.51	-46.64
CSCC[C@H](NC(=O)C1=C2C(C)=CC=CN2N=C1)C1=N[N-]N=N1	REAL300020169445	1	39	-1.0	-51.18	338.23	4.50	-46.68
C=CCNC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020169446	0	44	-1.0	-47.62	388.24	3.78	-43.84
C=CCNC(=O)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020169446	1	44	-1.0	-47.64	388.30	3.80	-43.84
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=NN=N[N-]1	REAL300020169447	0	42	-1.0	-48.88	378.30	5.96	-42.92
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=CC=C2F)=C1)C1=N[N-]N=N1	REAL300020169447	1	42	-1.0	-48.93	378.25	5.95	-42.98
CSCC[C@H](NC(=O)C1=CC=CC2=CN=NN21)C1=NN=N[N-]1	REAL300020169448	0	35	-1.0	-54.14	316.92	2.81	-51.33
CSCC[C@H](NC(=O)C1=CC=CC2=CN=NN21)C1=N[N-]N=N1	REAL300020169448	1	35	-1.0	-54.13	316.86	2.79	-51.34
CSCC[C@H](NC(=O)C1=C(C)C2=CC=C(C)C=C2N1)C1=N[N-]N=N1	REAL300020169449	0	43	-1.0	-45.82	370.27	5.36	-40.46
CSCC[C@H](NC(=O)C1=C(C)C2=CC=C(C)C=C2N1)C1=NN=N[N-]1	REAL300020169449	1	43	-1.0	-45.81	370.33	5.38	-40.43
CSCC[C@H](NC(=O)C1=C(C)C2=CC([N+](=O)[O-])=CC=C2N1)C1=N[N-]N=N1	REAL300020169450	0	42	-1.0	-45.55	376.98	5.37	-40.18
CSCC[C@H](NC(=O)C1=C(C)C2=CC([N+](=O)[O-])=CC=C2N1)C1=NN=N[N-]1	REAL300020169450	1	42	-1.0	-45.60	377.04	5.39	-40.21
CSCC[C@H](NC(=O)C1=C(C)C2=CC=C(Cl)C=C2N1)C1=N[N-]N=N1	REAL300020169451	0	40	-1.0	-43.65	365.61	5.20	-38.45
CSCC[C@H](NC(=O)C1=C(C)C2=CC=C(Cl)C=C2N1)C1=NN=N[N-]1	REAL300020169451	1	40	-1.0	-43.64	365.67	5.22	-38.42
CSCC[C@H](NC(=O)C1=C(C)C2=CC=C(F)C=C2N1)C1=N[N-]N=N1	REAL300020169452	0	40	-1.0	-43.91	355.31	4.77	-39.14
CSCC[C@H](NC(=O)C1=C(C)C2=CC=C(F)C=C2N1)C1=NN=N[N-]1	REAL300020169452	1	40	-1.0	-43.95	355.37	4.79	-39.16
CSCC[C@H](NC(=O)C1=NC2=C(C)C=NN2C=C1)C1=NN=N[N-]1	REAL300020169453	0	38	-1.0	-45.56	344.10	3.74	-41.82
CSCC[C@H](NC(=O)C1=NC2=C(C)C=NN2C=C1)C1=N[N-]N=N1	REAL300020169453	1	38	-1.0	-45.55	344.04	3.73	-41.82
CSCC[C@H](NC(=O)C1=CC(Br)=CC(F)=C1F)C1=N[N-]N=N1	REAL300020169454	0	33	-1.0	-45.81	329.66	4.85	-40.96
CSCC[C@H](NC(=O)C1=CC(Br)=CC(F)=C1F)C1=NN=N[N-]1	REAL300020169454	1	33	-1.0	-45.87	329.72	4.87	-41.00
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169455	0	56	-1.0	-57.24	435.58	6.17	-51.07
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169455	1	56	-1.0	-57.23	435.63	6.19	-51.04
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020169456	0	36	-1.0	-48.05	336.82	4.94	-43.11
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020169456	1	36	-1.0	-48.05	336.88	4.95	-43.10
CSCC[C@H](NC(=O)C1=C2SN=CC2=CC=C1)C1=NN=N[N-]1	REAL300020169457	0	35	-1.0	-55.15	327.57	4.28	-50.87
CSCC[C@H](NC(=O)C1=C2SN=CC2=CC=C1)C1=N[N-]N=N1	REAL300020169457	1	35	-1.0	-55.13	327.51	4.26	-50.87
CCC(CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020169458	0	55	-1.0	-45.19	443.75	3.95	-41.24
CCC(CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020169458	1	55	-1.0	-45.19	443.81	3.97	-41.22
CSCC[C@H](NC(=O)C1=CC=C(C(F)F)C=N1)C1=NN=N[N-]1	REAL300020169459	0	35	-1.0	-45.44	327.13	3.21	-42.23
CSCC[C@H](NC(=O)C1=CC=C(C(F)F)C=N1)C1=N[N-]N=N1	REAL300020169459	1	35	-1.0	-45.50	327.08	3.20	-42.30
CSCC[C@H](NC(=O)C1=C2SC=CC2=C(F)C=C1)C1=N[N-]N=N1	REAL300020169460	0	36	-1.0	-46.64	338.32	5.50	-41.14
CSCC[C@H](NC(=O)C1=C2SC=CC2=C(F)C=C1)C1=NN=N[N-]1	REAL300020169460	1	36	-1.0	-46.64	338.38	5.52	-41.12
CSCC[C@H](NC(=O)C1=CC=C(C)C(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020169461	0	46	-1.0	-48.91	393.49	8.16	-40.75
CSCC[C@H](NC(=O)C1=CC=C(C)C(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020169461	1	46	-1.0	-48.87	393.55	8.18	-40.69
CSCC[C@H](NC(=O)CCC1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020169462	0	53	-1.0	-53.90	439.88	3.87	-50.03
CSCC[C@H](NC(=O)CCC1(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020169462	1	53	-1.0	-53.87	439.94	3.88	-49.99
C#CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCC1	REAL300020169463	0	41	-1.0	-48.39	341.16	5.63	-42.76
C#CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCC1	REAL300020169463	1	41	-1.0	-48.37	341.22	5.65	-42.72
CSCC[C@H](NC(=O)C1(C(F)F)CCCO1)C1=N[N-]N=N1	REAL300020169464	0	37	-1.0	-43.46	328.25	2.20	-41.26
CSCC[C@H](NC(=O)C1(C(F)F)CCCO1)C1=NN=N[N-]1	REAL300020169464	1	37	-1.0	-43.48	328.31	2.22	-41.26
CSCC[C@H](NC(=O)C1=C(Br)C=CC(F)=C1C)C1=N[N-]N=N1	REAL300020169465	0	36	-1.0	-44.91	346.12	5.01	-39.90
CSCC[C@H](NC(=O)C1=C(Br)C=CC(F)=C1C)C1=NN=N[N-]1	REAL300020169465	1	36	-1.0	-44.92	346.17	5.03	-39.89
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1C)C1=N[N-]N=N1	REAL300020169466	0	46	-1.0	-46.64	387.75	8.18	-38.46
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC=C2)=CC=C1C)C1=NN=N[N-]1	REAL300020169466	1	46	-1.0	-46.70	387.81	8.20	-38.50
CSCC[C@H](NC(=O)C1=COC2=C(Br)C=CC=C12)C1=N[N-]N=N1	REAL300020169467	0	36	-1.0	-47.78	347.52	5.03	-42.75
CSCC[C@H](NC(=O)C1=COC2=C(Br)C=CC=C12)C1=NN=N[N-]1	REAL300020169467	1	36	-1.0	-47.78	347.58	5.04	-42.74
COC1=CC(OC)=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169468	0	41	-1.0	-49.74	368.26	3.25	-46.49
COC1=CC(OC)=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169468	1	41	-1.0	-49.76	368.32	3.27	-46.49
CSCC[C@H](NC(=O)C1=NNC2=C1C[C@H]1C[C@@H]21)C1=N[N-]N=N1	REAL300020169469	0	38	-1.0	-49.41	335.74	3.12	-46.29
CSCC[C@H](NC(=O)C1=NNC2=C1C[C@H]1C[C@@H]21)C1=NN=N[N-]1	REAL300020169469	1	38	-1.0	-49.44	335.80	3.14	-46.30
CSCC[C@H](NC(=O)C(C)(C)C(=O)N(C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169470	0	52	-1.0	-63.09	423.72	7.51	-55.58
CSCC[C@H](NC(=O)C(C)(C)C(=O)N(C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169470	1	52	-1.0	-63.08	423.78	7.52	-55.56
CSCC[C@H](NC(=O)C1CCCC2=C1N=CS2)C1=N[N-]N=N1	REAL300020169471	0	39	-1.0	-47.00	344.78	4.12	-42.88
CSCC[C@H](NC(=O)C1CCCC2=C1N=CS2)C1=NN=N[N-]1	REAL300020169471	1	39	-1.0	-46.98	344.84	4.13	-42.85
CSCC[C@H](NC(=O)C1(N2C=NC=N2)CC1)C1=NN=N[N-]1	REAL300020169472	0	36	-1.0	-44.52	330.31	4.68	-39.84
CSCC[C@H](NC(=O)C1(N2C=NC=N2)CC1)C1=N[N-]N=N1	REAL300020169472	1	36	-1.0	-44.50	330.25	4.67	-39.83
CSCC[C@H](NC(=O)C1C2C=CC(C2)C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169473	0	48	-1.0	-45.92	384.69	7.45	-38.47
CSCC[C@H](NC(=O)C1C2C=CC(C2)C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169473	1	48	-1.0	-45.91	384.75	7.46	-38.45
CSCC[C@H](NC(=O)C1CC(F)(F)CCC1(C)C)C1=N[N-]N=N1	REAL300020169474	0	45	-1.0	-43.50	359.10	5.27	-38.23
CSCC[C@H](NC(=O)C1CC(F)(F)CCC1(C)C)C1=NN=N[N-]1	REAL300020169474	1	45	-1.0	-43.53	359.16	5.28	-38.25
CSCC[C@H](NC(=O)C1=C(C)SC(C)=C1C#N)C1=N[N-]N=N1	REAL300020169475	0	37	-1.0	-48.15	353.42	4.72	-43.43
CSCC[C@H](NC(=O)C1=C(C)SC(C)=C1C#N)C1=NN=N[N-]1	REAL300020169475	1	37	-1.0	-48.11	353.48	4.73	-43.38
CSCC[C@H](NC(=O)C=CC1=NC=CC=C1C)C1=N[N-]N=N1	REAL300020169476	0	39	-1.0	-47.57	347.09	4.29	-43.28
CSCC[C@H](NC(=O)C=CC1=NC=CC=C1C)C1=NN=N[N-]1	REAL300020169476	1	39	-1.0	-47.57	347.14	4.31	-43.26
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020169477	0	38	-1.0	-51.54	345.61	6.09	-45.45
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020169477	1	38	-1.0	-51.55	345.67	6.10	-45.45
CCC1=CSC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169478	0	36	-1.0	-46.44	326.25	4.42	-42.02
CCC1=CSC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169478	1	36	-1.0	-46.44	326.31	4.44	-42.00
CSCC[C@H](NC(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020169479	0	45	-1.0	-48.58	397.64	6.81	-41.77
CSCC[C@H](NC(=O)C1=CC=C(CC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020169479	1	45	-1.0	-48.54	397.59	6.79	-41.75
CSCC[C@H](NC(=O)C1=CN=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL300020169480	0	32	-1.0	-40.92	326.06	2.42	-38.50
CSCC[C@H](NC(=O)C1=CN=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL300020169480	1	32	-1.0	-40.91	326.00	2.40	-38.51
COC1=CC2=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NN=C2C=C1	REAL300020169481	0	40	-1.0	-50.85	353.80	2.10	-48.75
COC1=CC2=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NN=C2C=C1	REAL300020169481	1	40	-1.0	-50.90	353.86	2.11	-48.79
COC1=CC=C2NC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C(C)C2=C1	REAL300020169482	0	44	-1.0	-46.87	378.43	3.99	-42.88
COC1=CC=C2NC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C(C)C2=C1	REAL300020169482	1	44	-1.0	-46.84	378.49	4.01	-42.83
CSCC[C@H](NC(=O)C(=O)C1=CSC=C1Br)C1=N[N-]N=N1	REAL300020169483	0	32	-1.0	-41.49	327.05	3.50	-37.99
CSCC[C@H](NC(=O)C(=O)C1=CSC=C1Br)C1=NN=N[N-]1	REAL300020169483	1	32	-1.0	-41.53	327.11	3.52	-38.01
CSCC[C@H](NC(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=N[N-]N=N1	REAL300020169484	0	42	-1.0	-44.24	372.36	6.18	-38.06
CSCC[C@H](NC(=O)CC(C1=CC=C(F)C=C1)C(F)F)C1=NN=N[N-]1	REAL300020169484	1	42	-1.0	-44.28	372.42	6.20	-38.08
CSCC[C@H](NC(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=N[N-]N=N1	REAL300020169485	0	43	-1.0	-47.06	377.22	3.62	-43.44
CSCC[C@H](NC(=O)C1CCN(CC(F)(F)F)C(=O)C1)C1=NN=N[N-]1	REAL300020169485	1	43	-1.0	-47.04	377.28	3.63	-43.41
CSCC[C@H](NC(=O)C1=CSC(Br)=C1Cl)C1=N[N-]N=N1	REAL300020169486	0	30	-1.0	-46.55	323.27	4.22	-42.33
CSCC[C@H](NC(=O)C1=CSC(Br)=C1Cl)C1=NN=N[N-]1	REAL300020169486	1	30	-1.0	-46.56	323.33	4.24	-42.32
CSCC[C@H](NC(=O)C1=NNC(=O)C(C)=C1)C1=N[N-]N=N1	REAL300020169487	0	35	-1.0	-42.47	319.43	0.26	-42.21
CSCC[C@H](NC(=O)C1=NNC(=O)C(C)=C1)C1=NN=N[N-]1	REAL300020169487	1	35	-1.0	-42.46	319.49	0.27	-42.19
CSCC[C@H](NC(=O)C1=C2C=CC=CN2N=N1)C1=NN=N[N-]1	REAL300020169488	0	35	-1.0	-52.95	321.25	2.46	-50.49
CSCC[C@H](NC(=O)C1=C2C=CC=CN2N=N1)C1=N[N-]N=N1	REAL300020169488	1	35	-1.0	-52.95	321.19	2.45	-50.50
CSCC[C@H](NC(=O)CC1CCC(C)C(C)C1)C1=N[N-]N=N1	REAL300020169489	0	48	-1.0	-45.44	369.60	5.78	-39.66
CSCC[C@H](NC(=O)CC1CCC(C)C(C)C1)C1=NN=N[N-]1	REAL300020169489	1	48	-1.0	-45.45	369.66	5.80	-39.65
CSCC[C@H](NC(=O)C12CC3CC(C1)C(=O)C(C3)C2)C1=N[N-]N=N1	REAL300020169490	0	46	-1.0	-46.02	365.08	5.10	-40.92
CSCC[C@H](NC(=O)C12CC3CC(C1)C(=O)C(C3)C2)C1=NN=N[N-]1	REAL300020169490	1	46	-1.0	-46.06	365.14	5.11	-40.95
CSCC[C@H](NC(=O)C1(C(F)(F)F)CC2CCC1C2)C1=N[N-]N=N1	REAL300020169491	0	43	-1.0	-46.10	351.35	5.43	-40.67
CSCC[C@H](NC(=O)C1(C(F)(F)F)CC2CCC1C2)C1=NN=N[N-]1	REAL300020169491	1	43	-1.0	-46.16	351.41	5.44	-40.72
CSCC[C@H](NC(=O)C1=CC=CC=C1CC(F)(F)F)C1=N[N-]N=N1	REAL300020169492	0	39	-1.0	-48.75	348.31	5.81	-42.94
CSCC[C@H](NC(=O)C1=CC=CC=C1CC(F)(F)F)C1=NN=N[N-]1	REAL300020169492	1	39	-1.0	-48.74	348.37	5.83	-42.91
CSCC[C@H](NC(=O)C1=NC=CC2=NC=CC=C21)C1=NN=N[N-]1	REAL300020169493	0	37	-1.0	-46.41	330.75	2.73	-43.68
CSCC[C@H](NC(=O)C1=NC=CC2=NC=CC=C21)C1=N[N-]N=N1	REAL300020169493	1	37	-1.0	-46.39	330.69	2.72	-43.67
CCN(CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020169494	0	52	-1.0	-45.52	426.35	5.03	-40.49
CCN(CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020169494	1	52	-1.0	-45.51	426.41	5.05	-40.46
CSCC[C@H](NC(=O)C(F)(F)CCN1C=CN=N1)C1=NN=N[N-]1	REAL300020169495	0	38	-1.0	-47.21	350.18	2.46	-44.75
CSCC[C@H](NC(=O)C(F)(F)CCN1C=CN=N1)C1=N[N-]N=N1	REAL300020169495	1	38	-1.0	-47.24	350.13	2.44	-44.80
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(F)C=C1C)C1=NN=N[N-]1	REAL300020169496	0	39	-1.0	-41.85	352.15	5.34	-36.51
CSCC[C@H](NC(=O)C(F)(F)C1=CC=C(F)C=C1C)C1=N[N-]N=N1	REAL300020169496	1	39	-1.0	-41.86	352.09	5.33	-36.53
CSCC[C@H](NC(=O)C(F)(F)CCN1C=CC=N1)C1=NN=N[N-]1	REAL300020169497	0	39	-1.0	-44.40	356.37	3.68	-40.72
CSCC[C@H](NC(=O)C(F)(F)CCN1C=CC=N1)C1=N[N-]N=N1	REAL300020169497	1	39	-1.0	-44.38	356.31	3.66	-40.72
CSCC[C@H](NC(=O)CC1CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL300020169498	0	42	-1.0	-50.67	360.66	1.05	-49.62
CSCC[C@H](NC(=O)CC1CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL300020169498	1	42	-1.0	-50.69	360.72	1.07	-49.62
CSCC[C@H](NC(=O)C1=CN(CC(F)F)N=C1)C1=NN=N[N-]1	REAL300020169499	0	36	-1.0	-47.98	337.12	2.98	-45.00
CSCC[C@H](NC(=O)C1=CN(CC(F)F)N=C1)C1=N[N-]N=N1	REAL300020169499	1	36	-1.0	-47.99	337.06	2.97	-45.02
CSCC[C@H](NC(=O)C1=CN=CN(C)C1=O)C1=NN=N[N-]1	REAL300020169500	0	35	-1.0	-57.39	315.60	2.89	-54.50
CSCC[C@H](NC(=O)C1=CN=CN(C)C1=O)C1=N[N-]N=N1	REAL300020169500	1	35	-1.0	-57.40	315.55	2.87	-54.53
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)N1N=NN=C1C)C1=N[N-]N=N1	REAL300020169501	0	44	-1.0	-46.64	387.23	4.56	-42.08
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)N1N=NN=C1C)C1=NN=N[N-]1	REAL300020169501	1	44	-1.0	-46.69	387.29	4.57	-42.12
CSCC[C@H](NC(=O)C1CCCN1C1=CN=CC=N1)C1=NN=N[N-]1	REAL300020169502	0	43	-1.0	-47.14	362.07	1.50	-45.64
CSCC[C@H](NC(=O)C1CCCN1C1=CN=CC=N1)C1=N[N-]N=N1	REAL300020169502	1	43	-1.0	-47.10	362.01	1.49	-45.61
CSCC[C@H](NC(=O)CC=CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020169503	0	43	-1.0	-47.16	374.60	6.75	-40.41
CSCC[C@H](NC(=O)CC=CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020169503	1	43	-1.0	-47.19	374.66	6.77	-40.42
CSCC[C@H](NC(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=N[N-]N=N1	REAL300020169504	0	38	-1.0	-52.26	348.71	-0.21	-52.47
CSCC[C@H](NC(=O)C1=C2CCS(=O)(=O)C2=CN1)C1=NN=N[N-]1	REAL300020169504	1	38	-1.0	-52.26	348.77	-0.20	-52.46
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169505	0	37	-1.0	-46.50	332.08	5.28	-41.22
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169505	1	37	-1.0	-46.54	332.13	5.29	-41.25
CSCC[C@H](NC(=O)C1CCCN2C=NN=C12)C1=N[N-]N=N1	REAL300020169506	0	39	-1.0	-49.84	335.49	4.99	-44.85
CSCC[C@H](NC(=O)C1CCCN2C=NN=C12)C1=NN=N[N-]1	REAL300020169506	1	39	-1.0	-49.82	335.55	5.00	-44.82
COC(=O)C1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1C	REAL300020169507	0	39	-1.0	-42.96	338.43	4.01	-38.95
COC(=O)C1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1C	REAL300020169507	1	39	-1.0	-42.93	338.49	4.02	-38.91
CCOC(=O)C1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC2(CCC2)C1	REAL300020169508	0	49	-1.0	-42.63	407.43	6.53	-36.10
CCOC(=O)C1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC2(CCC2)C1	REAL300020169508	1	49	-1.0	-42.62	407.49	6.55	-36.07
CSCC[C@H](NC(=O)C1=CC=CC(C(C)C)=C1F)C1=N[N-]N=N1	REAL300020169509	0	42	-1.0	-52.21	360.88	6.03	-46.18
CSCC[C@H](NC(=O)C1=CC=CC(C(C)C)=C1F)C1=NN=N[N-]1	REAL300020169509	1	42	-1.0	-52.24	360.94	6.04	-46.20
CSCC[C@H](NC(=O)C1=CC(C(C)C)=CC=C1F)C1=N[N-]N=N1	REAL300020169510	0	42	-1.0	-49.79	362.25	6.07	-43.72
CSCC[C@H](NC(=O)C1=CC(C(C)C)=CC=C1F)C1=NN=N[N-]1	REAL300020169510	1	42	-1.0	-49.79	362.31	6.09	-43.70
CSCC[C@H](NC(=O)C1=C(F)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020169511	0	39	-1.0	-52.63	347.26	6.40	-46.23
CSCC[C@H](NC(=O)C1=C(F)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020169511	1	39	-1.0	-52.64	347.31	6.42	-46.22
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020169512	0	47	-1.0	-49.52	400.33	7.74	-41.78
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020169512	1	47	-1.0	-49.53	400.39	7.76	-41.77
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)C1CCCCC1)C1=N[N-]N=N1	REAL300020169513	0	55	-1.0	-45.80	426.49	9.21	-36.59
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)C1CCCCC1)C1=NN=N[N-]1	REAL300020169513	1	55	-1.0	-45.77	426.54	9.22	-36.55
CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCC2=CC=CC=C21	REAL300020169514	0	49	-1.0	-47.70	386.08	7.35	-40.35
CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCC2=CC=CC=C21	REAL300020169514	1	49	-1.0	-47.70	386.14	7.36	-40.34
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=N[N-]N=N1	REAL300020169515	0	39	-1.0	-47.04	357.24	5.76	-41.28
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)CF)C=C1)C1=NN=N[N-]1	REAL300020169515	1	39	-1.0	-46.99	357.30	5.77	-41.22
COC(=O)C1=CSC2=C1NC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)=C2	REAL300020169516	0	40	-1.0	-48.81	377.53	3.74	-45.07
COC(=O)C1=CSC2=C1NC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)=C2	REAL300020169516	1	40	-1.0	-48.80	377.59	3.76	-45.04
COC(=O)C1=CC2=C(C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N2)S1	REAL300020169517	0	40	-1.0	-45.14	377.77	3.88	-41.26
COC(=O)C1=CC2=C(C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N2)S1	REAL300020169517	1	40	-1.0	-45.13	377.83	3.90	-41.23
CSCC[C@H](NC(=O)C(F)(F)C1=CN=CC=N1)C1=NN=N[N-]1	REAL300020169518	0	34	-1.0	-45.39	320.42	1.89	-43.50
CSCC[C@H](NC(=O)C(F)(F)C1=CN=CC=N1)C1=N[N-]N=N1	REAL300020169518	1	34	-1.0	-45.40	320.36	1.87	-43.53
CSCC[C@H](NC(=O)CC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169519	0	41	-1.0	-51.82	349.01	4.70	-47.12
CSCC[C@H](NC(=O)CC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169519	1	41	-1.0	-51.83	349.07	4.72	-47.11
COC1=CC=C(C#CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020169520	0	39	-1.0	-46.59	358.77	4.75	-41.84
COC1=CC=C(C#CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020169520	1	39	-1.0	-46.63	358.82	4.77	-41.86
CSCC[C@H](NC(=O)C1=CON=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169521	0	39	-1.0	-48.06	349.97	5.09	-42.97
CSCC[C@H](NC(=O)C1=CON=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169521	1	39	-1.0	-48.07	349.91	5.08	-42.99
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169522	0	56	-1.0	-47.84	448.96	4.14	-43.70
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169522	1	56	-1.0	-47.81	449.02	4.15	-43.66
CSCC[C@H](NC(=O)C(F)CCNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169523	0	49	-1.0	-45.17	416.43	2.34	-42.83
CSCC[C@H](NC(=O)C(F)CCNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169523	1	49	-1.0	-45.18	416.49	2.36	-42.82
CSCC[C@H](NC(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=N[N-]N=N1	REAL300020169524	0	43	-1.0	-49.71	378.48	3.70	-46.01
CSCC[C@H](NC(=O)C1CCC2=C(C1)C(C(F)(F)F)=NN2)C1=NN=N[N-]1	REAL300020169524	1	43	-1.0	-49.73	378.54	3.71	-46.02
CSCC[C@H](NC(=O)C1=CC=CN1[C@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169525	0	47	-1.0	-50.47	395.97	7.62	-42.85
CSCC[C@H](NC(=O)C1=CC=CN1[C@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169525	1	47	-1.0	-50.50	396.03	7.64	-42.86
CSCC[C@H](NC(=O)C1=CC=CN1[C@@H](C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169526	0	47	-1.0	-48.76	395.90	7.60	-41.16
CSCC[C@H](NC(=O)C1=CC=CN1[C@@H](C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169526	1	47	-1.0	-48.75	395.95	7.61	-41.14
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169527	0	47	-1.0	-49.90	418.57	5.71	-44.19
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169527	1	47	-1.0	-49.92	418.63	5.72	-44.20
CSCC[C@H](NC(=O)C1=CC2=CN=CN=C2N1)C1=N[N-]N=N1	REAL300020169528	0	35	-1.0	-44.24	320.80	3.11	-41.13
CSCC[C@H](NC(=O)C1=CC2=CN=CN=C2N1)C1=NN=N[N-]1	REAL300020169528	1	35	-1.0	-44.25	320.86	3.13	-41.12
O=C(CCC1=N[N-]N=N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300020170529	0	43	0.0	-64.25	336.22	6.54	-57.71
O=C(CCC1=N[N-]N=N1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300020170529	1	43	0.0	-65.23	337.93	6.70	-58.53
O=C(CCC1=NN=N[N-]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300020170529	1	43	0.0	-64.26	336.28	6.55	-57.71
O=C(CCC1=NN=N[N-]1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300020170529	1	43	0.0	-65.27	337.98	6.71	-58.56
O=C(CCC1=N[N-]N=N1)N1C[C@@H]2C[C@H]1CN2CC1=CC=CC=C1	REAL300020170529	1	42	-1.0	-41.20	334.53	4.26	-36.94
O=C(CCC1=NN=N[N-]1)N1C[C@@H]2C[C@H]1CN2CC1=CC=CC=C1	REAL300020170529	1	42	-1.0	-41.15	334.59	4.27	-36.88
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCC(CO)C2)C(Br)=C1	REAL300020170530	0	42	-1.0	-43.85	353.93	0.77	-43.08
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCC(CO)C2)C(Br)=C1	REAL300020170530	1	42	-1.0	-43.86	353.99	0.79	-43.07
COCC1(C(=O)OC(C)(C)C)CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL300020170531	0	49	-1.0	-41.26	385.25	3.93	-37.33
COCC1(C(=O)OC(C)(C)C)CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL300020170531	1	49	-1.0	-41.29	385.31	3.94	-37.35
O=C(CCC1=N[N-]N=N1)NCC1=CC(=O)NC(C2CCC2)=N1	REAL300020170532	0	38	-1.0	-43.97	325.52	1.47	-42.50
O=C(CCC1=NN=N[N-]1)NCC1=CC(=O)NC(C2CCC2)=N1	REAL300020170532	1	38	-1.0	-43.98	325.58	1.48	-42.50
CC(CO)(CC1=CC=CC=C1F)NC(=O)CCC1=N[N-]N=N1	REAL300020170533	0	39	-1.0	-41.97	314.49	1.38	-40.59
CC(CO)(CC1=CC=CC=C1F)NC(=O)CCC1=NN=N[N-]1	REAL300020170533	1	39	-1.0	-42.00	314.55	1.39	-40.61
COC1=CC=CC=C1CC(C)(CO)NC(=O)CCC1=N[N-]N=N1	REAL300020170534	0	43	-1.0	-41.50	339.10	0.76	-40.74
COC1=CC=CC=C1CC(C)(CO)NC(=O)CCC1=NN=N[N-]1	REAL300020170534	1	43	-1.0	-41.45	339.16	0.78	-40.67
CC(CO)(CC1=CC=C(Br)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020170535	0	39	-1.0	-40.20	335.59	1.80	-38.40
CC(CO)(CC1=CC=C(Br)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020170535	1	39	-1.0	-40.14	335.65	1.82	-38.32
CC(CO)(CC1=CC=C(F)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020170536	0	39	-1.0	-40.72	320.71	1.25	-39.47
CC(CO)(CC1=CC=C(F)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020170536	1	39	-1.0	-40.73	320.77	1.26	-39.47
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C2NC(=O)OC2=C1	REAL300020170537	0	35	-1.0	-44.69	306.85	1.04	-43.65
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C2NC(=O)OC2=C1	REAL300020170537	1	35	-1.0	-44.70	306.91	1.05	-43.65
CC1=CC=CC(C(=O)NC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020170538	0	46	-1.0	-44.53	372.39	4.96	-39.57
CC1=CC=CC(C(=O)NC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020170538	1	46	-1.0	-44.52	372.45	4.98	-39.54
CC1=CC=CC(C[N@@H+]2CCC(NC(=O)CCC3=N[N-]N=N3)C2)=C1	REAL300020170539	0	45	0.0	-64.76	360.63	5.85	-58.91
CC1=CC=CC(C[N@H+]2CCC(NC(=O)CCC3=N[N-]N=N3)C2)=C1	REAL300020170539	1	45	0.0	-64.21	358.73	5.71	-58.50
CC1=CC=CC(C[N@@H+]2CCC(NC(=O)CCC3=NN=N[N-]3)C2)=C1	REAL300020170539	1	45	0.0	-64.79	360.69	5.87	-58.92
CC1=CC=CC(C[N@H+]2CCC(NC(=O)CCC3=NN=N[N-]3)C2)=C1	REAL300020170539	1	45	0.0	-64.22	358.79	5.72	-58.50
O=C(CCC1=N[N-]N=N1)NCCN1C=NC=C1C1=CC=CC=C1	REAL300020170540	0	39	-1.0	-44.86	332.48	5.44	-39.42
O=C(CCC1=NN=N[N-]1)NCCN1C=NC=C1C1=CC=CC=C1	REAL300020170540	1	39	-1.0	-44.81	332.54	5.46	-39.35
CCOC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)CCC1(F)F	REAL300020170541	0	38	-1.0	-41.09	320.96	4.42	-36.67
CCOC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)CCC1(F)F	REAL300020170541	1	38	-1.0	-41.09	321.02	4.44	-36.65
O=C(CCC1=N[N-]N=N1)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020170542	0	51	0.0	-64.47	395.39	7.04	-57.43
O=C(CCC1=NN=N[N-]1)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020170542	1	51	0.0	-64.51	395.45	7.06	-57.45
CN1C=CC(N2C3=CC=CC=C3N=C2NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020170543	0	39	-1.0	-52.49	342.77	7.75	-44.74
CN1C=CC(N2C3=CC=CC=C3N=C2NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020170543	1	39	-1.0	-52.53	342.72	7.74	-44.79
O=C(CCC1=N[N-]N=N1)NCC1=CC(OC2CCC2)=CC=N1	REAL300020170544	0	39	-1.0	-41.66	330.53	2.46	-39.20
O=C(CCC1=NN=N[N-]1)NCC1=CC(OC2CCC2)=CC=N1	REAL300020170544	1	39	-1.0	-41.68	330.58	2.48	-39.20
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2=CC(F)=CC(F)=C2)N=C1	REAL300020170545	0	36	-1.0	-38.97	330.11	3.13	-35.84
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2=CC(F)=CC(F)=C2)N=C1	REAL300020170545	1	36	-1.0	-38.93	330.05	3.12	-35.81
O=C(CCC1=N[N-]N=N1)NC1=NC(COC2=CC=CC=C2)=CS1	REAL300020170546	0	36	-1.0	-38.56	326.09	4.01	-34.55
O=C(CCC1=NN=N[N-]1)NC1=NC(COC2=CC=CC=C2)=CS1	REAL300020170546	1	36	-1.0	-38.57	326.15	4.02	-34.55
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300020170547	0	32	-1.0	-39.78	309.48	4.11	-35.67
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300020170547	1	32	-1.0	-39.76	309.54	4.12	-35.64
O=C(CCC1=NN=N[N-]1)NCC1=CC=CN=C1OC1=CC=CC(C(F)(F)F)=C1	REAL300020170548	0	42	-1.0	-44.61	382.33	4.07	-40.54
O=C(CCC1=N[N-]N=N1)NCC1=CC=CN=C1OC1=CC=CC(C(F)(F)F)=C1	REAL300020170548	1	42	-1.0	-44.58	382.27	4.06	-40.52
CC1=CC=C(CC2(C)CCCN2C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020170549	0	45	-1.0	-41.09	350.50	7.45	-33.64
CC1=CC=C(CC2(C)CCCN2C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020170549	1	45	-1.0	-41.11	350.56	7.46	-33.65
O=C(CCC1=N[N-]N=N1)NCC1=CC=NC(N2CCSCC2)=C1	REAL300020170550	0	41	-1.0	-40.25	347.68	3.28	-36.97
O=C(CCC1=NN=N[N-]1)NCC1=CC=NC(N2CCSCC2)=C1	REAL300020170550	1	41	-1.0	-40.25	347.74	3.29	-36.96
O=C(CCC1=NN=N[N-]1)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300020170550	1	42	0.0	-61.45	350.00	3.29	-58.16
O=C(CCC1=N[N-]N=N1)N1CCNC(C2=CC=C(O)C=C2)C1	REAL300020170551	0	39	-1.0	-40.65	321.51	0.26	-40.39
O=C(CCC1=NN=N[N-]1)N1CCNC(C2=CC=C(O)C=C2)C1	REAL300020170551	1	39	-1.0	-40.60	321.57	0.28	-40.32
CC1=CC=CC(CC2(C)CCCN2C(=O)CCC2=N[N-]N=N2)=C1	REAL300020170552	0	45	-1.0	-41.18	350.45	7.44	-33.74
CC1=CC=CC(CC2(C)CCCN2C(=O)CCC2=NN=N[N-]2)=C1	REAL300020170552	1	45	-1.0	-41.14	350.51	7.45	-33.69
COC1=CC=CC(CC2CN(C(=O)CCC3=N[N-]N=N3)CC[NH2+]2)=C1	REAL300020170553	0	46	0.0	-68.73	361.75	4.21	-64.52
COC1=CC=CC(CC2CN(C(=O)CCC3=NN=N[N-]3)CC[NH2+]2)=C1	REAL300020170553	1	46	0.0	-68.73	361.81	4.23	-64.50
COC1=CC=CC(CC2CN(C(=O)CCC3=N[N-]N=N3)CCN2)=C1	REAL300020170553	1	45	-1.0	-40.44	358.75	3.01	-37.43
COC1=CC=CC(CC2CN(C(=O)CCC3=NN=N[N-]3)CCN2)=C1	REAL300020170553	1	45	-1.0	-40.47	358.80	3.03	-37.44
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CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)CCC3=N[N-]N=N3)C[C@@]2(C)C1	REAL300020170557	0	53	-1.0	-41.92	401.54	4.91	-37.01
CC(C)(C)OC(=O)N1C[C@@]2(C)CN(C(=O)CCC3=NN=N[N-]3)C[C@@]2(C)C1	REAL300020170557	1	53	-1.0	-41.91	401.60	4.93	-36.98
COC1=CC=C(C2CN(C(=O)CCC3=N[N-]N=N3)CCO2)C=C1	REAL300020170558	0	41	-1.0	-40.63	336.07	3.54	-37.09
COC1=CC=C(C2CN(C(=O)CCC3=NN=N[N-]3)CCO2)C=C1	REAL300020170558	1	41	-1.0	-40.64	336.13	3.56	-37.08
CC(C)(C)OC(=O)N1CC2CCC1C1CN(C(=O)CCC3=N[N-]N=N3)CC12	REAL300020170559	0	54	-1.0	-44.05	398.92	5.76	-38.29
CC(C)(C)OC(=O)N1CC2CCC1C1CN(C(=O)CCC3=NN=N[N-]3)CC12	REAL300020170559	1	54	-1.0	-44.05	398.98	5.78	-38.27
CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020170560	0	41	-1.0	-40.07	329.81	6.25	-33.82
CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020170560	1	41	-1.0	-40.11	329.86	6.27	-33.84
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CC1COCCN1C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020170562	1	42	-1.0	-40.81	354.47	2.94	-37.87
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CC1=CC=C2SC(CNC(=O)CCC3=N[N-]N=N3)=NC2=C1	REAL300020170567	0	34	-1.0	-41.79	310.61	2.79	-39.00
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CC12CN(C(=O)CCC3=N[N-]N=N3)CC1(C)C[NH+](CC1=CC=CC=C1)C2	REAL300020170570	0	52	0.0	-70.13	395.69	7.89	-62.24
CC12CN(C(=O)CCC3=NN=N[N-]3)CC1(C)C[NH+](CC1=CC=CC=C1)C2	REAL300020170570	1	52	0.0	-70.15	395.75	7.90	-62.25
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O=C(CCC1=NN=N[N-]1)N1CC(CC2=CC=CC(Br)=C2)C1	REAL300020170571	1	36	-1.0	-42.26	329.02	6.33	-35.93
CC1CC[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCC1=N[N-]N=N1	REAL300020170572	0	48	0.0	-58.30	375.12	6.58	-51.72
CC1CC[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCC1=N[N-]N=N1	REAL300020170572	1	48	0.0	-57.03	365.92	6.25	-50.78
CC1CC[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCC1=NN=N[N-]1	REAL300020170572	1	48	0.0	-58.31	375.18	6.60	-51.71
CC1CC[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCC1=NN=N[N-]1	REAL300020170572	1	48	0.0	-57.05	365.98	6.27	-50.78
COCCOC1=CC(C(=O)OC)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020170573	0	43	-1.0	-41.59	369.60	2.83	-38.76
COCCOC1=CC(C(=O)OC)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020170573	1	43	-1.0	-41.57	369.66	2.86	-38.71
COC1=CC=CC(CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020170574	0	45	-1.0	-40.42	357.22	3.16	-37.26
COC1=CC=CC(CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020170574	1	45	-1.0	-40.42	357.28	3.17	-37.25
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=CC=CC([N+](=O)[O-])=C1	REAL300020170575	0	41	-1.0	-56.74	360.87	6.29	-50.45
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=CC=CC([N+](=O)[O-])=C1	REAL300020170575	1	41	-1.0	-56.72	360.91	6.29	-50.43
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CC1=CC=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=C1	REAL300020170579	0	37	-1.0	-40.41	316.62	6.07	-34.34
CC1=CC=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=C1	REAL300020170579	1	37	-1.0	-40.38	316.67	6.07	-34.31
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CS(=O)(=O)NCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170581	0	34	-1.0	-44.48	304.68	-0.70	-45.18
CS(=O)(=O)NCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170581	1	34	-1.0	-44.45	304.72	-0.70	-45.15
CC1=NNC(C)=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170582	0	39	-1.0	-40.46	328.01	4.49	-35.97
CC1=NNC(C)=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170582	1	39	-1.0	-40.46	328.06	4.50	-35.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCCC2=C1	REAL300020170583	0	37	-1.0	-41.70	307.04	7.39	-34.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCCC2=C1	REAL300020170583	1	37	-1.0	-41.68	307.08	7.39	-34.29
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O=C(CC1=CN(C2=CC=CC=C2)N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170584	1	40	-1.0	-43.63	343.96	7.33	-36.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(CN2C(=O)CNC2=O)=C1	REAL300020170585	0	42	-1.0	-49.05	364.31	4.09	-44.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(CN2C(=O)CNC2=O)=C1	REAL300020170585	1	42	-1.0	-49.05	364.35	4.09	-44.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(Br)C=C2N1	REAL300020170586	0	34	-1.0	-38.26	316.52	6.02	-32.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(Br)C=C2N1	REAL300020170586	1	34	-1.0	-38.26	316.56	6.02	-32.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2N1	REAL300020170587	0	34	-1.0	-37.59	301.65	5.48	-32.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2N1	REAL300020170587	1	34	-1.0	-37.58	300.69	5.47	-32.11
CC1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020170588	0	43	-1.0	-39.97	354.40	7.00	-32.97
CC1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020170588	1	43	-1.0	-39.92	354.44	7.01	-32.91
CC1=CC(C)=CC(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170589	0	43	-1.0	-39.92	358.81	7.11	-32.81
CC1=CC(C)=CC(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170589	1	43	-1.0	-39.89	358.85	7.13	-32.76
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CC(=O)NC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CS1	REAL300020170591	0	40	-1.0	-44.30	355.86	4.82	-39.48
CC(=O)NC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CS1	REAL300020170591	1	40	-1.0	-44.24	355.90	4.83	-39.41
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CC1=CC(C)=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=NN21	REAL300020170593	0	38	-1.0	-52.43	328.84	5.59	-46.84
CC1=CC(C)=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=NN21	REAL300020170593	1	38	-1.0	-52.39	328.89	5.60	-46.79
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CC1=CC=C(N2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)C=C1F	REAL300020170596	0	44	-1.0	-42.41	366.03	7.10	-35.31
CC1=CC=C(N2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=O)C=C1F	REAL300020170596	1	44	-1.0	-42.38	366.07	7.09	-35.29
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COC1=CC=C(C(C)=O)C=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170600	0	42	-1.0	-48.97	353.71	5.89	-43.08
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CCC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170602	0	42	-1.0	-38.96	350.41	8.40	-30.56
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COC1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1OC	REAL300020170603	0	44	-1.0	-44.38	367.25	6.25	-38.13
COC1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1OC	REAL300020170603	1	44	-1.0	-44.38	367.30	6.25	-38.13
COC1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020170604	0	40	-1.0	-43.15	337.00	7.04	-36.11
COC1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020170604	1	40	-1.0	-43.12	337.04	7.05	-36.07
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CC(NC1=NS(=O)(=O)C2=CC=CC=C12)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170606	0	42	-1.0	-51.86	368.97	2.61	-49.25
CC(NC1=NS(=O)(=O)C2=CC=CC=C12)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170606	1	42	-1.0	-48.88	369.98	2.63	-46.25
N#CC1=CC=C(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170607	0	39	-1.0	-44.39	361.03	2.26	-42.13
N#CC1=CC=C(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170607	1	39	-1.0	-44.41	361.07	2.27	-42.14
CC1=NOC(C)=C1CSCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170608	0	39	-1.0	-41.91	347.68	6.29	-35.62
CC1=NOC(C)=C1CSCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170608	1	39	-1.0	-41.94	347.73	6.30	-35.64
CSCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=CC=CC=C21	REAL300020170609	0	40	-1.0	-46.49	355.20	7.78	-38.71
CSCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=CC=CC=C21	REAL300020170609	1	40	-1.0	-47.37	354.23	7.75	-39.62
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1OC	REAL300020170610	0	38	-1.0	-40.21	340.11	5.33	-34.88
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020170610	1	38	-1.0	-40.22	340.15	5.34	-34.88
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CC1=CC=CC(CSCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170612	0	40	-1.0	-40.26	351.96	8.19	-32.07
CC1=CC=CC(CSCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170612	1	40	-1.0	-40.30	352.00	8.20	-32.10
CON=CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170613	0	37	-1.0	-42.87	324.92	5.59	-37.28
CON=CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170613	1	37	-1.0	-42.79	324.97	5.59	-37.20
CCCCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020170614	0	51	-1.0	-42.01	419.49	8.39	-33.62
CCCCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020170614	1	51	-1.0	-41.98	419.53	8.39	-33.59
CC(C1=CC=CC=C1)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020170615	0	47	-1.0	-41.37	386.64	7.64	-33.73
CC(C1=CC=CC=C1)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020170615	1	47	-1.0	-41.32	386.68	7.65	-33.67
O=C(CC1=CC=C2CCCCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170616	0	43	-1.0	-39.93	347.83	8.63	-31.30
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CCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OCCC	REAL300020170617	0	50	-1.0	-40.25	406.82	8.13	-32.12
CCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OCCC	REAL300020170617	1	50	-1.0	-40.28	406.86	8.14	-32.14
O=C(CCC1=CC=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170618	0	36	-1.0	-41.77	312.07	6.97	-34.80
O=C(CCC1=CC=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170618	1	36	-1.0	-41.76	312.11	6.98	-34.78
O=C(C=CC1=CC=C(C2=CC=CC=C2F)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170619	0	41	-1.0	-50.17	366.56	8.76	-41.41
O=C(C=CC1=CC=C(C2=CC=CC=C2F)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170619	1	41	-1.0	-50.09	366.60	8.76	-41.33
CCCCOC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170620	0	50	-1.0	-41.78	414.75	5.81	-35.97
CCCCOC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170620	1	50	-1.0	-41.74	414.79	5.81	-35.93
O=C(CCCC1=NC2=CC=CC=C2S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170621	0	41	-1.0	-44.66	360.69	7.17	-37.49
O=C(CCCC1=NC2=CC=CC=C2S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170621	1	41	-1.0	-44.66	360.73	7.18	-37.48
CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170622	0	40	-1.0	-38.65	356.99	5.34	-33.31
CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170622	1	40	-1.0	-38.67	357.04	5.34	-33.33
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O=C(CN1C(=O)C2CCCCC2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170624	0	43	-1.0	-44.95	353.20	5.40	-39.55
O=C(CN1C(=O)C2CCCCC2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170624	1	43	-1.0	-44.88	353.25	5.39	-39.49
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CC(C)=CC=C1	REAL300020170625	0	47	-1.0	-45.22	389.63	10.10	-35.12
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CC(C)=CC=C1	REAL300020170625	1	47	-1.0	-45.18	389.67	10.10	-35.08
CCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020170626	0	47	-1.0	-40.52	384.96	7.19	-33.33
CCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020170626	1	47	-1.0	-40.48	385.00	7.20	-33.28
CC1=CC(OCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020170627	0	43	-1.0	-39.57	372.94	7.65	-31.92
CC1=CC(OCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020170627	1	43	-1.0	-39.51	372.98	7.67	-31.84
O=C(CSC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170628	0	36	-1.0	-39.39	332.84	7.28	-32.11
O=C(CSC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170628	1	36	-1.0	-39.39	332.89	7.30	-32.09
CCOC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170629	0	45	-1.0	-43.11	378.90	7.02	-36.09
CCOC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170629	1	45	-1.0	-43.09	378.94	7.04	-36.05
O=C(COC1=CC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170630	0	40	-1.0	-41.95	341.06	8.22	-33.73
O=C(COC1=CC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170630	1	40	-1.0	-41.89	341.10	8.23	-33.66
O=C(CCSC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170631	0	37	-1.0	-39.15	326.32	7.42	-31.73
O=C(CCSC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170631	1	37	-1.0	-39.12	326.36	7.43	-31.69
CC1=CC=C(SCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170632	0	40	-1.0	-39.18	347.72	8.09	-31.09
CC1=CC=C(SCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170632	1	40	-1.0	-39.16	347.77	8.11	-31.05
CC1=CC(=O)OC2=CC(OCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C12	REAL300020170633	0	42	-1.0	-46.65	359.87	8.00	-38.65
CC1=CC(=O)OC2=CC(OCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C12	REAL300020170633	1	42	-1.0	-46.63	359.91	8.00	-38.63
CCC(OC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170634	0	40	-1.0	-39.88	326.05	7.07	-32.81
CCC(OC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170634	1	40	-1.0	-39.86	326.09	7.07	-32.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)F)C=C1	REAL300020170635	0	34	-1.0	-43.34	300.65	5.07	-38.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)F)C=C1	REAL300020170635	1	34	-1.0	-43.33	300.69	5.07	-38.26
CC1=CC=C(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020170636	0	44	-1.0	-44.01	378.64	3.07	-40.94
CC1=CC=C(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020170636	1	44	-1.0	-44.02	378.69	3.08	-40.94
CC1=CC=C(Cl)C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170637	0	37	-1.0	-41.20	332.48	7.15	-34.05
CC1=CC=C(Cl)C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170637	1	37	-1.0	-41.16	332.52	7.16	-34.00
O=C(COC1=CC=C2CCCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170638	0	41	-1.0	-41.13	340.60	7.86	-33.27
O=C(COC1=CC=C2CCCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170638	1	41	-1.0	-41.07	340.65	7.87	-33.20
O=C(CC1OC(=O)C2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170639	0	37	-1.0	-49.16	323.40	6.99	-42.17
O=C(CC1OC(=O)C2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170639	1	37	-1.0	-44.59	322.42	6.97	-37.62
CC1=CC(Cl)=CC=C1OC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170640	0	40	-1.0	-38.38	350.83	7.79	-30.59
CC1=CC(Cl)=CC=C1OC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170640	1	40	-1.0	-38.36	350.88	7.80	-30.56
O=C(CCC(=O)C1=CC=C(Cl)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170641	0	35	-1.0	-40.34	335.63	6.50	-33.84
O=C(CCC(=O)C1=CC=C(Cl)S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170641	1	35	-1.0	-40.31	335.68	6.51	-33.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SCC(=O)NC2=C1	REAL300020170642	0	36	-1.0	-39.54	321.44	4.49	-35.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2SCC(=O)NC2=C1	REAL300020170642	1	36	-1.0	-39.51	321.48	4.49	-35.02
CCCCN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1=O	REAL300020170643	0	46	-1.0	-38.23	392.17	7.29	-30.94
CCCCN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C1=O	REAL300020170643	1	46	-1.0	-38.29	392.22	7.29	-31.00
CCCOC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170644	0	44	-1.0	-40.18	367.89	6.96	-33.22
CCCOC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170644	1	44	-1.0	-40.16	367.94	6.97	-33.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL300020170645	0	36	-1.0	-43.27	303.04	7.75	-35.52
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300020170645	1	36	-1.0	-43.19	303.08	7.76	-35.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2OC1=O	REAL300020170646	0	35	-1.0	-56.63	308.24	6.94	-49.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2OC1=O	REAL300020170646	1	35	-1.0	-56.65	308.28	6.94	-49.71
CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OCC	REAL300020170647	0	44	-1.0	-40.80	363.82	6.52	-34.28
CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OCC	REAL300020170647	1	44	-1.0	-40.81	363.86	6.54	-34.27
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020170648	0	36	-1.0	-39.81	315.88	6.20	-33.61
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020170648	1	36	-1.0	-39.84	315.93	6.20	-33.64
CC(C)(C)C1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020170649	0	48	-1.0	-38.02	355.89	7.70	-30.32
CC(C)(C)C1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020170649	1	48	-1.0	-37.98	355.93	7.70	-30.28
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300020170650	0	35	-1.0	-37.80	298.39	6.53	-31.27
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300020170650	1	35	-1.0	-37.81	298.43	6.53	-31.28
O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170651	0	46	-1.0	-39.83	375.02	10.08	-29.75
O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170651	1	46	-1.0	-39.80	375.07	10.08	-29.72
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C=C1Cl	REAL300020170652	0	30	-1.0	-37.05	286.70	6.11	-30.94
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C=C1Cl	REAL300020170652	1	30	-1.0	-37.02	285.73	6.09	-30.93
CC1=CC(C)=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170653	0	40	-1.0	-40.82	337.86	7.28	-33.54
CC1=CC(C)=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170653	1	40	-1.0	-40.81	337.90	7.29	-33.52
O=C(COC1=CC=CC(C(F)(F)F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170654	0	37	-1.0	-39.76	333.76	6.95	-32.81
O=C(COC1=CC=CC(C(F)(F)F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170654	1	37	-1.0	-39.77	333.81	6.96	-32.81
COC1=CC=CC=C1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170655	0	38	-1.0	-44.37	324.29	5.70	-38.67
COC1=CC=CC=C1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170655	1	38	-1.0	-44.33	324.34	5.72	-38.61
COC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020170656	0	45	-1.0	-44.06	379.09	3.18	-40.88
COC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020170656	1	45	-1.0	-44.01	379.13	3.20	-40.81
CC(C)(C)C1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170657	0	49	-1.0	-41.64	396.58	6.29	-35.35
CC(C)(C)C1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170657	1	49	-1.0	-41.61	396.63	6.31	-35.30
CC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020170658	0	40	-1.0	-41.03	333.44	7.16	-33.87
CC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020170658	1	40	-1.0	-40.97	333.49	7.17	-33.80
CC1=CC=C(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170659	0	41	-1.0	-43.87	361.63	2.54	-41.33
CC1=CC=C(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170659	1	41	-1.0	-43.87	361.67	2.55	-41.32
O=C(COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170660	0	46	-1.0	-43.51	391.41	9.20	-34.31
O=C(COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170660	1	46	-1.0	-43.43	391.45	9.20	-34.23
COC1=CC=C(OC)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170661	0	38	-1.0	-48.14	318.27	5.21	-42.93
COC1=CC=C(OC)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170661	1	38	-1.0	-48.13	318.31	5.21	-42.92
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(=O)C2=CC=CC=C21	REAL300020170662	0	35	-1.0	-42.55	304.03	3.32	-39.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(=O)C2=CC=CC=C21	REAL300020170662	1	35	-1.0	-42.52	304.08	3.32	-39.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])O1	REAL300020170663	0	29	-1.0	-45.34	276.21	4.15	-41.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])O1	REAL300020170663	1	29	-1.0	-45.33	276.25	4.15	-41.18
O=C(COC1=CC=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170664	0	34	-1.0	-39.14	327.80	6.99	-32.15
O=C(COC1=CC=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170664	1	34	-1.0	-39.12	327.84	7.00	-32.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300020170665	0	30	-1.0	-40.59	277.77	6.10	-34.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300020170665	1	30	-1.0	-40.61	277.82	6.11	-34.50
O=C(CN1C=NC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170666	0	38	-1.0	-49.28	330.80	6.64	-42.64
O=C(CN1C=NC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170666	1	38	-1.0	-49.30	330.75	6.64	-42.66
O=C(CCC(=O)N1CCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170667	0	41	-1.0	-43.25	335.08	3.06	-40.19
O=C(CCC(=O)N1CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170667	1	41	-1.0	-43.21	335.12	3.06	-40.15
O=C(C=CC1=CC=C(OC(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170668	0	38	-1.0	-44.02	335.18	6.26	-37.76
O=C(C=CC1=CC=C(OC(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170668	1	38	-1.0	-44.00	335.22	6.26	-37.74
O=C(CNC(=O)C1=CC=CO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170669	0	34	-1.0	-42.47	304.70	1.98	-40.49
O=C(CNC(=O)C1=CC=CO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170669	1	34	-1.0	-42.45	304.74	1.99	-40.46
O=C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170670	0	40	-1.0	-40.11	359.16	4.98	-35.13
O=C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170670	1	40	-1.0	-40.11	359.21	4.99	-35.12
O=C(CNC(=O)C1=CC=C(Cl)C(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170671	0	37	-1.0	-39.22	352.35	4.95	-34.27
O=C(CNC(=O)C1=CC=C(Cl)C(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170671	1	37	-1.0	-39.02	351.38	4.92	-34.10
COC1=CC=CC(C(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170672	0	41	-1.0	-44.45	349.95	3.27	-41.18
COC1=CC=CC(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170672	1	41	-1.0	-44.45	349.99	3.28	-41.17
O=C(CNC(=O)C1=CC=C2OCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170673	0	40	-1.0	-43.45	346.49	2.64	-40.81
O=C(CNC(=O)C1=CC=C2OCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170673	1	40	-1.0	-43.42	346.54	2.65	-40.77
O=C(CNC(=O)C1=CC=C(Br)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170674	0	34	-1.0	-39.62	326.39	2.70	-36.92
O=C(CNC(=O)C1=CC=C(Br)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170674	1	34	-1.0	-39.64	326.43	2.71	-36.93
COC1=CC(C(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(OC)=C1	REAL300020170675	0	45	-1.0	-44.27	379.41	2.58	-41.69
COC1=CC(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(OC)=C1	REAL300020170675	1	45	-1.0	-44.26	379.45	2.59	-41.67
CCOC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170676	0	44	-1.0	-42.15	371.73	4.22	-37.93
CCOC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170676	1	44	-1.0	-42.20	371.77	4.23	-37.97
CCOC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020170677	0	44	-1.0	-46.87	356.03	5.24	-41.63
CCOC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020170677	1	44	-1.0	-46.89	356.08	5.24	-41.65
CCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170678	0	43	-1.0	-39.72	355.75	7.30	-32.42
CCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170678	1	43	-1.0	-39.70	355.79	7.30	-32.40
O=C(CC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170679	0	35	-1.0	-39.53	314.35	6.82	-32.71
O=C(CC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170679	1	35	-1.0	-39.50	314.40	6.84	-32.66
O=C(CCSC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170680	0	37	-1.0	-39.78	341.33	7.87	-31.91
O=C(CCSC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170680	1	37	-1.0	-39.73	341.38	7.88	-31.85
CC1=CC(C(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020170681	0	42	-1.0	-40.65	364.32	5.15	-35.50
CC1=CC(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020170681	1	42	-1.0	-40.56	363.40	5.12	-35.44
CCOC(=O)C1=C(C)NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020170682	0	43	-1.0	-40.23	366.20	6.15	-34.08
CCOC(=O)C1=C(C)NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020170682	1	43	-1.0	-40.78	365.23	6.11	-34.67
O=C(CCN1C(=O)C2CCCCC2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170683	0	46	-1.0	-43.77	375.16	5.82	-37.95
O=C(CCN1C(=O)C2CCCCC2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170683	1	46	-1.0	-43.74	375.20	5.83	-37.91
CC1=NC2=CC=CC=C2C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170684	0	38	-1.0	-41.42	319.65	6.46	-34.96
CC1=NC2=CC=CC=C2C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170684	1	38	-1.0	-41.34	319.69	6.46	-34.88
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170685	0	36	-1.0	-41.14	323.19	7.31	-33.83
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170685	1	36	-1.0	-41.12	323.23	7.31	-33.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=CO2)=NC2=CC=CC=C21	REAL300020170686	0	42	-1.0	-45.93	360.41	7.64	-38.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=CO2)=NC2=CC=CC=C21	REAL300020170686	1	42	-1.0	-45.96	360.37	7.64	-38.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=CC=N2)=NC2=CC=CC=C21	REAL300020170687	0	44	-1.0	-48.98	372.93	8.01	-40.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=CC=N2)=NC2=CC=CC=C21	REAL300020170687	1	44	-1.0	-48.94	372.97	8.01	-40.93
O=C(CC1=CC=C(Br)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170688	0	33	-1.0	-38.00	307.43	6.78	-31.22
O=C(CC1=CC=C(Br)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170688	1	33	-1.0	-38.01	307.48	6.79	-31.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1Cl	REAL300020170689	0	30	-1.0	-36.82	280.42	6.06	-30.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1Cl	REAL300020170689	1	30	-1.0	-36.80	280.46	6.06	-30.74
O=C(CC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170690	0	35	-1.0	-50.81	305.51	6.46	-44.35
O=C(CC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170690	1	35	-1.0	-50.78	305.55	6.47	-44.31
O=C(CSC1=CC=NC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170691	0	33	-1.0	-39.04	299.82	4.86	-34.18
O=C(CSC1=CC=NC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170691	1	33	-1.0	-39.00	299.77	4.84	-34.16
O=C(COC1=CC(Cl)=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170692	0	34	-1.0	-38.06	342.97	7.45	-30.61
O=C(COC1=CC(Cl)=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170692	1	34	-1.0	-38.01	343.01	7.47	-30.54
COC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170693	0	41	-1.0	-42.19	348.87	3.27	-38.92
COC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170693	1	41	-1.0	-42.15	348.92	3.26	-38.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)NC2=CC=CC=C21	REAL300020170694	0	36	-1.0	-46.04	306.98	4.53	-41.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)NC2=CC=CC=C21	REAL300020170694	1	36	-1.0	-46.05	307.07	4.54	-41.51
CC1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170695	0	40	-1.0	-39.52	337.40	6.46	-33.06
CC1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170695	1	40	-1.0	-39.50	337.44	6.47	-33.03
O=C(CCSC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170696	0	37	-1.0	-37.60	343.04	7.94	-29.66
O=C(CCSC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170696	1	37	-1.0	-37.62	343.09	7.95	-29.67
COC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170697	0	38	-1.0	-40.64	324.54	5.23	-35.41
COC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170697	1	38	-1.0	-40.40	323.57	5.21	-35.19
O=C(CCC1=NC2=CC=CC=C2S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170698	0	38	-1.0	-41.83	338.18	6.37	-35.46
O=C(CCC1=NC2=CC=CC=C2S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170698	1	38	-1.0	-41.76	338.22	6.37	-35.39
O=C(COC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170699	0	34	-1.0	-41.39	311.07	6.49	-34.90
O=C(COC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170699	1	34	-1.0	-41.42	311.12	6.50	-34.92
CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170700	0	37	-1.0	-40.72	316.45	6.62	-34.10
CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170700	1	37	-1.0	-40.70	316.50	6.63	-34.07
CC1=CC=C(SCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020170701	0	43	-1.0	-39.58	364.71	8.62	-30.96
CC1=CC=C(SCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020170701	1	43	-1.0	-39.58	364.76	8.63	-30.95
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170702	0	36	-1.0	-39.31	316.24	6.14	-33.17
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170702	1	36	-1.0	-39.27	316.29	6.15	-33.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL300020170703	0	44	-1.0	-42.25	372.77	8.76	-33.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL300020170703	1	44	-1.0	-42.21	372.81	8.76	-33.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300020170704	0	44	-1.0	-42.77	372.74	8.76	-34.01
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300020170704	1	44	-1.0	-42.72	372.78	8.76	-33.96
CCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170705	0	40	-1.0	-40.46	337.49	6.38	-34.08
CCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170705	1	40	-1.0	-40.44	337.54	6.39	-34.05
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1C	REAL300020170706	0	47	-1.0	-45.16	388.29	10.32	-34.84
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1C	REAL300020170706	1	47	-1.0	-45.14	388.34	10.32	-34.82
CC1=NOC(C)=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170707	0	38	-1.0	-39.55	324.66	5.72	-33.83
CC1=NOC(C)=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170707	1	38	-1.0	-39.51	324.70	5.73	-33.78
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020170708	0	38	-1.0	-41.28	337.76	4.06	-37.22
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020170708	1	38	-1.0	-41.25	337.80	4.06	-37.19
CCOC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170709	0	41	-1.0	-40.44	346.39	6.16	-34.28
CCOC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170709	1	41	-1.0	-40.42	346.44	6.17	-34.25
CC1SC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2NC1=O	REAL300020170710	0	39	-1.0	-38.94	340.93	5.21	-33.73
CC1SC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2NC1=O	REAL300020170710	1	39	-1.0	-38.93	340.97	5.21	-33.72
O=C(COC1=CC=C2C=CC(=O)OC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170711	0	39	-1.0	-47.29	341.74	7.43	-39.86
O=C(COC1=CC=C2C=CC(=O)OC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170711	1	39	-1.0	-47.35	341.78	7.43	-39.92
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OCC#N	REAL300020170712	0	43	-1.0	-46.27	375.85	6.58	-39.69
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OCC#N	REAL300020170712	1	43	-1.0	-46.26	375.89	6.58	-39.68
O=C(CCC(=O)C1=CC=C2OCCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170713	0	44	-1.0	-45.71	372.19	5.95	-39.76
O=C(CCC(=O)C1=CC=C2OCCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170713	1	44	-1.0	-45.65	372.23	5.96	-39.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300020170714	0	36	-1.0	-43.48	335.90	6.99	-36.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300020170714	1	36	-1.0	-43.47	335.86	6.99	-36.48
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020170715	0	35	-1.0	-42.62	328.71	0.98	-41.64
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020170715	1	35	-1.0	-42.57	328.76	0.98	-41.59
CC1=CC(C(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C)=C1	REAL300020170716	0	43	-1.0	-42.40	363.28	5.30	-37.10
CC1=CC(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C)=C1	REAL300020170716	1	43	-1.0	-42.34	363.32	5.32	-37.02
O=C(CNC(=O)C1CCCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170717	0	43	-1.0	-40.63	346.25	4.23	-36.40
O=C(CNC(=O)C1CCCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170717	1	43	-1.0	-40.60	346.31	4.24	-36.36
CCOC1=CC=CC=C1C(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170718	0	44	-1.0	-46.47	369.65	5.45	-41.02
CCOC1=CC=CC=C1C(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170718	1	44	-1.0	-46.43	369.70	5.45	-40.98
O=C(CNC(=O)C1=CC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170719	0	34	-1.0	-41.67	312.62	2.97	-38.70
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O=C(CNC(=O)C1=CC=CC(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170720	0	37	-1.0	-42.49	326.88	4.04	-38.45
O=C(CNC(=O)C1=CC=CC(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170720	1	37	-1.0	-42.51	326.93	4.05	-38.46
O=C(C=CC1=CC=CC(Br)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170721	0	34	-1.0	-39.04	317.31	7.29	-31.75
O=C(C=CC1=CC=CC(Br)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170721	1	34	-1.0	-38.98	316.34	7.26	-31.72
CC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170722	0	37	-1.0	-40.95	317.41	7.34	-33.61
CC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170722	1	37	-1.0	-40.68	316.44	7.32	-33.36
CC1=NN(C2=CC=C(Cl)C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)C(C)=C1	REAL300020170723	0	42	-1.0	-44.92	371.72	7.88	-37.04
CC1=NN(C2=CC=C(Cl)C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)C(C)=C1	REAL300020170723	1	42	-1.0	-44.96	371.67	7.87	-37.09
CCN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL300020170724	0	41	-1.0	-42.86	346.33	5.82	-37.04
CCN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL300020170724	1	41	-1.0	-42.81	346.37	5.82	-36.99
O=C(CSC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170725	0	34	-1.0	-37.67	321.37	7.13	-30.54
O=C(CSC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170725	1	34	-1.0	-37.55	320.40	7.12	-30.43
O=C(CC1=CSC(C2=CC=CC=C2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170726	0	39	-1.0	-45.40	348.84	7.10	-38.30
O=C(CC1=CSC(C2=CC=CC=C2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170726	1	39	-1.0	-45.46	348.80	7.10	-38.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC3=C(CCCC3)C2=C1	REAL300020170727	0	44	-1.0	-44.31	356.17	7.96	-36.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC3=C(CCCC3)C2=C1	REAL300020170727	1	44	-1.0	-44.27	356.21	7.96	-36.31
O=C(CCOC1=CC=CC(Br)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170728	0	37	-1.0	-38.44	337.29	6.41	-32.03
O=C(CCOC1=CC=CC(Br)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170728	1	37	-1.0	-38.46	337.33	6.42	-32.04
CCN1C2=CC=CC=C2N=C1SCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170729	0	43	-1.0	-45.10	377.40	8.16	-36.94
CCN1C2=CC=CC=C2N=C1SCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170729	1	43	-1.0	-45.11	377.36	8.14	-36.97
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2CCCC2=O)C=C1	REAL300020170730	0	41	-1.0	-51.49	338.61	6.60	-44.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2CCCC2=O)C=C1	REAL300020170730	1	41	-1.0	-51.46	338.65	6.60	-44.86
CC1CCC2=C(C1)C1=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C1N2	REAL300020170731	0	47	-1.0	-44.05	377.17	8.57	-35.48
CC1CCC2=C(C1)C1=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C1N2	REAL300020170731	1	47	-1.0	-44.04	377.21	8.58	-35.46
CC(C)COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170732	0	43	-1.0	-41.21	354.44	7.20	-34.01
CC(C)COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170732	1	43	-1.0	-41.14	354.48	7.20	-33.94
CC(C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170733	0	42	-1.0	-40.70	342.62	8.17	-32.53
CC(C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170733	1	42	-1.0	-40.68	342.66	8.17	-32.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CCCCC2)C=C1	REAL300020170734	0	46	-1.0	-40.57	363.28	9.28	-31.29
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CCCCC2)C=C1	REAL300020170734	1	46	-1.0	-40.52	363.31	9.28	-31.24
COCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170735	0	37	-1.0	-41.38	316.56	5.21	-36.17
COCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170735	1	37	-1.0	-41.39	316.60	5.22	-36.17
CC(C)OCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170736	0	43	-1.0	-41.30	358.68	6.93	-34.37
CC(C)OCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170736	1	43	-1.0	-41.27	358.72	6.94	-34.33
CN1C(=O)NC(=O)C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C21	REAL300020170737	0	38	-1.0	-37.99	331.07	2.91	-35.08
CN1C(=O)NC(=O)C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C21	REAL300020170737	1	38	-1.0	-37.95	331.12	2.91	-35.04
O=C(CC1=CC=C2CCCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170738	0	40	-1.0	-40.13	330.65	8.04	-32.09
O=C(CC1=CC=C2CCCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170738	1	40	-1.0	-40.13	330.69	8.05	-32.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN=C1Cl	REAL300020170739	0	29	-1.0	-39.78	269.21	4.16	-35.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN=C1Cl	REAL300020170739	1	29	-1.0	-39.81	269.17	4.15	-35.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1	REAL300020170740	0	44	-1.0	-38.56	364.98	7.75	-30.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1	REAL300020170740	1	44	-1.0	-38.57	365.03	7.75	-30.82
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020170741	0	39	-1.0	-38.79	320.97	7.40	-31.39
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020170741	1	39	-1.0	-38.78	321.02	7.41	-31.37
CSC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170742	0	34	-1.0	-39.66	301.54	6.49	-33.17
CSC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170742	1	34	-1.0	-39.64	301.58	6.49	-33.15
NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170743	0	34	-1.0	-41.45	295.97	2.26	-39.19
NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170743	1	34	-1.0	-41.42	296.02	2.26	-39.16
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL300020170744	0	44	-1.0	-45.32	364.97	9.32	-36.00
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL300020170744	1	44	-1.0	-45.31	365.01	9.32	-35.99
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CC=C(F)C=C1	REAL300020170745	0	44	-1.0	-43.48	374.55	9.49	-33.99
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CC=C(F)C=C1	REAL300020170745	1	44	-1.0	-43.46	374.59	9.49	-33.97
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020170746	0	34	-1.0	-38.32	307.39	5.28	-33.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020170746	1	34	-1.0	-38.29	307.43	5.28	-33.01
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=CS2)=NC2=CC=CC=C21	REAL300020170747	0	42	-1.0	-44.24	368.23	8.58	-35.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=CS2)=NC2=CC=CC=C21	REAL300020170747	1	42	-1.0	-44.28	368.19	8.58	-35.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(S(=O)(=O)N2CCCC2)C=C1	REAL300020170748	0	45	-1.0	-44.26	383.38	4.62	-39.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(S(=O)(=O)N2CCCC2)C=C1	REAL300020170748	1	45	-1.0	-44.20	383.42	4.62	-39.58
CC1=CC=CC=C1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170749	0	37	-1.0	-40.65	315.12	6.66	-33.99
CC1=CC=CC=C1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170749	1	37	-1.0	-40.61	315.17	6.67	-33.94
O=C(CCC(=O)N1CC(=O)NC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170750	0	45	-1.0	-45.65	376.70	4.65	-41.00
O=C(CCC(=O)N1CC(=O)NC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170750	1	45	-1.0	-45.63	376.75	4.66	-40.97
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170751	0	37	-1.0	-44.91	317.47	4.38	-40.53
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170751	1	37	-1.0	-44.93	317.52	4.38	-40.55
O=C(CCCC1=CNC2=CC=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170752	0	43	-1.0	-43.79	360.93	7.80	-35.99
O=C(CCCC1=CNC2=CC=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170752	1	43	-1.0	-43.76	360.98	7.81	-35.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020170753	0	30	-1.0	-38.33	282.80	6.09	-32.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020170753	1	30	-1.0	-38.34	282.84	6.10	-32.24
O=C(CC1=CNC2=CC=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170754	0	37	-1.0	-44.15	317.02	6.19	-37.96
O=C(CC1=CNC2=CC=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170754	1	37	-1.0	-44.20	317.06	6.19	-38.01
O=C(CNC(=O)C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170755	0	37	-1.0	-42.50	320.47	3.97	-38.53
O=C(CNC(=O)C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170755	1	37	-1.0	-42.46	320.52	3.98	-38.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020170756	0	30	-1.0	-37.87	282.78	6.11	-31.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020170756	1	30	-1.0	-37.81	282.82	6.11	-31.70
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170757	0	41	-1.0	-44.80	356.21	3.51	-41.29
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170757	1	41	-1.0	-44.69	356.26	3.51	-41.18
O=C(CCNS(=O)(=O)C1=CC=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170758	0	41	-1.0	-45.52	360.60	2.25	-43.27
O=C(CCNS(=O)(=O)C1=CC=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170758	1	41	-1.0	-45.49	360.65	2.26	-43.23
CCCCCC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170759	0	53	-1.0	-42.25	435.13	10.57	-31.68
CCCCCC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170759	1	53	-1.0	-42.20	435.17	10.58	-31.62
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020170760	0	42	-1.0	-44.32	364.39	6.17	-38.15
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020170760	1	42	-1.0	-44.28	364.43	6.17	-38.11
CC(=O)C1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170761	0	45	-1.0	-43.99	380.11	7.06	-36.93
CC(=O)C1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170761	1	45	-1.0	-43.91	380.15	7.07	-36.84
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020170762	0	44	-1.0	-40.91	360.72	6.27	-34.64
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020170762	1	44	-1.0	-40.87	360.77	6.27	-34.60
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OCCC(C)C	REAL300020170763	0	50	-1.0	-40.43	402.53	7.71	-32.72
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OCCC(C)C	REAL300020170763	1	50	-1.0	-40.41	402.57	7.72	-32.69
CCCCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020170764	0	53	-1.0	-40.40	427.96	8.75	-31.65
CCCCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020170764	1	53	-1.0	-40.43	428.01	8.75	-31.68
O=C(CN1C(=O)COC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170765	0	39	-1.0	-47.17	331.63	4.91	-42.26
O=C(CN1C(=O)COC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170765	1	39	-1.0	-47.15	331.67	4.91	-42.24
CCC1=CC=CC=C1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170766	0	40	-1.0	-40.76	336.74	7.41	-33.35
CCC1=CC=CC=C1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170766	1	40	-1.0	-40.73	336.78	7.42	-33.31
O=C(COC1=CC=CC=C1CC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170767	0	47	-1.0	-42.79	394.51	10.43	-32.36
O=C(COC1=CC=CC=C1CC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170767	1	47	-1.0	-42.74	394.56	10.45	-32.29
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020170768	0	48	-1.0	-42.39	396.21	7.51	-34.88
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020170768	1	48	-1.0	-42.36	396.25	7.52	-34.84
O=C(CN1CCCCCC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170769	0	40	-1.0	-43.15	322.80	5.24	-37.91
O=C(CN1CCCCCC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170769	1	40	-1.0	-43.12	322.84	5.26	-37.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(CC2=CC=CC=C2Cl)C1	REAL300020170770	0	44	-1.0	-40.22	376.89	7.13	-33.09
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(CC2=CC=CC=C2Cl)C1	REAL300020170770	1	44	-1.0	-40.19	376.94	7.13	-33.06
CCC1=CC=CC=C1N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020170771	0	47	-1.0	-44.02	383.49	8.31	-35.71
CCC1=CC=CC=C1N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020170771	1	47	-1.0	-44.02	383.53	8.31	-35.71
CC1=CC(NC(=O)CSCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020170772	0	40	-1.0	-46.32	360.22	4.97	-41.35
CC1=CC(NC(=O)CSCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020170772	1	40	-1.0	-46.34	360.27	4.99	-41.35
CCC1=C(C)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170773	0	36	-1.0	-41.33	315.31	6.59	-34.74
CCC1=C(C)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170773	1	36	-1.0	-41.56	314.34	6.55	-35.01
CS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020170774	0	36	-1.0	-44.62	331.92	3.40	-41.22
CS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020170774	1	36	-1.0	-43.24	330.95	3.37	-39.87
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170775	0	39	-1.0	-52.97	338.02	3.69	-49.28
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170775	1	39	-1.0	-52.95	338.06	3.69	-49.26
N#CCCNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170776	0	42	-1.0	-51.56	379.94	3.00	-48.56
N#CCCNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170776	1	42	-1.0	-51.49	379.99	3.00	-48.49
CCN1N=NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020170777	0	38	-1.0	-40.53	327.27	4.82	-35.71
CCN1N=NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020170777	1	38	-1.0	-40.59	327.23	4.82	-35.77
CC(SC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170778	0	37	-1.0	-40.91	327.04	7.28	-33.63
CC(SC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170778	1	37	-1.0	-40.92	327.08	7.28	-33.64
CN(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020170779	0	40	-1.0	-38.75	341.73	6.74	-32.01
CN(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020170779	1	40	-1.0	-38.75	341.78	6.74	-32.01
CC1=CC=C(NC(=O)CSCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170780	0	44	-1.0	-47.41	383.78	6.44	-40.97
CC1=CC=C(NC(=O)CSCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170780	1	44	-1.0	-47.37	383.82	6.45	-40.92
CSCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020170781	0	34	-1.0	-43.92	312.38	5.54	-38.38
CSCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020170781	1	34	-1.0	-43.90	312.43	5.54	-38.36
O=C(CCC(=O)C1=CC=C2OCCCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170782	0	47	-1.0	-45.19	390.52	6.75	-38.44
O=C(CCC(=O)C1=CC=C2OCCCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170782	1	47	-1.0	-45.18	390.56	6.76	-38.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(COC2=CC=CC=C2)O1	REAL300020170783	0	41	-1.0	-45.24	356.51	6.91	-38.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(COC2=CC=CC=C2)O1	REAL300020170783	1	41	-1.0	-45.24	356.56	6.91	-38.33
CC1=CC(NC(=O)C(C)SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020170784	0	43	-1.0	-45.57	378.80	5.54	-40.03
CC1=CC(NC(=O)C(C)SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020170784	1	43	-1.0	-45.52	378.84	5.54	-39.98
CC1=CC=C(NC(=O)CSC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170785	0	47	-1.0	-48.38	402.32	6.99	-41.39
CC1=CC=C(NC(=O)CSC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170785	1	47	-1.0	-48.35	402.37	6.99	-41.36
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170786	0	38	-1.0	-42.45	346.62	1.93	-40.52
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170786	1	38	-1.0	-42.44	346.67	1.94	-40.50
O=C(CCNS(=O)(=O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170787	0	41	-1.0	-42.36	368.67	2.57	-39.79
O=C(CCNS(=O)(=O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170787	1	41	-1.0	-42.34	368.71	2.58	-39.76
O=C(CNS(=O)(=O)C1=CC=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170788	0	38	-1.0	-46.41	338.45	1.61	-44.80
O=C(CNS(=O)(=O)C1=CC=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170788	1	38	-1.0	-46.43	338.50	1.62	-44.81
C[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170789	0	41	-1.0	-42.00	364.98	2.60	-39.40
C[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170789	1	41	-1.0	-41.96	365.03	2.60	-39.36
CCCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OCC	REAL300020170790	0	51	-1.0	-42.10	419.84	8.53	-33.57
CCCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OCC	REAL300020170790	1	51	-1.0	-42.03	419.89	8.53	-33.50
O=C(CN1C2=CC=CC=C2N=C1C(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170791	0	39	-1.0	-43.09	350.23	7.18	-35.91
O=C(CN1C2=CC=CC=C2N=C1C(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170791	1	39	-1.0	-43.03	350.18	7.18	-35.85
CCC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170792	0	44	-1.0	-42.51	370.63	8.23	-34.28
CCC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170792	1	44	-1.0	-42.48	370.67	8.24	-34.24
O=C(CSC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170793	0	34	-1.0	-39.31	304.65	6.61	-32.70
O=C(CSC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170793	1	34	-1.0	-39.31	304.69	6.62	-32.69
COC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170794	0	37	-1.0	-42.67	313.43	5.49	-37.18
COC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170794	1	37	-1.0	-42.68	313.47	5.49	-37.19
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020170795	0	35	-1.0	-38.62	305.37	6.66	-31.96
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020170795	1	35	-1.0	-38.58	305.42	6.66	-31.92
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(OC)=C1C	REAL300020170796	0	41	-1.0	-39.59	339.16	4.90	-34.69
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(OC)=C1C	REAL300020170796	1	41	-1.0	-39.54	339.20	4.90	-34.64
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170797	0	42	-1.0	-44.71	370.80	5.28	-39.43
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170797	1	42	-1.0	-44.68	370.85	5.28	-39.40
COC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020170798	0	44	-1.0	-42.11	365.27	6.14	-35.97
COC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020170798	1	44	-1.0	-42.13	365.31	6.14	-35.99
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170799	0	54	-1.0	-43.24	407.40	6.54	-36.70
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170799	1	54	-1.0	-43.26	407.45	6.55	-36.71
O=C(CCNS(=O)(=O)C1=CC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170800	0	38	-1.0	-43.42	354.20	1.50	-41.92
O=C(CCNS(=O)(=O)C1=CC=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170800	1	38	-1.0	-43.36	354.25	1.52	-41.84
CC1CCCCC12NC(=O)N(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2=O	REAL300020170801	0	48	-1.0	-46.59	376.64	4.56	-42.03
CC1CCCCC12NC(=O)N(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2=O	REAL300020170801	1	48	-1.0	-46.56	376.69	4.55	-42.01
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170802	0	37	-2.0	-111.72	347.53	1.76	-109.96
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170802	1	37	-2.0	-111.65	347.57	1.77	-109.88
O=C(CNS(=O)(=O)C1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170802	1	38	-1.0	-47.62	348.74	2.13	-45.49
O=C(CNS(=O)(=O)C1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170802	1	38	-1.0	-47.61	348.79	2.15	-45.46
CC1=CC=C(OC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170803	0	40	-1.0	-40.12	334.35	7.20	-32.92
CC1=CC=C(OC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170803	1	40	-1.0	-40.03	334.40	7.21	-32.82
CC1=CC=CC(OC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170804	0	40	-1.0	-40.24	334.35	7.19	-33.05
CC1=CC=CC(OC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170804	1	40	-1.0	-40.23	334.39	7.20	-33.03
NC(=O)C1=CC=C(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020170805	0	40	-1.0	-48.20	362.54	3.91	-44.29
NC(=O)C1=CC=C(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020170805	1	40	-1.0	-48.20	362.58	3.92	-44.28
CC(C)CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL300020170806	0	47	-1.0	-42.52	381.93	7.08	-35.44
CC(C)CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL300020170806	1	47	-1.0	-42.54	381.97	7.08	-35.46
CCOC1=CC=CC=C1N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020170807	0	48	-1.0	-45.78	398.84	6.99	-38.79
CCOC1=CC=CC=C1N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020170807	1	48	-1.0	-45.75	398.88	6.99	-38.76
CNC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020170808	0	37	-1.0	-39.53	319.20	5.14	-34.39
CNC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020170808	1	37	-1.0	-39.58	319.25	5.15	-34.43
CC(C)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170809	0	43	-1.0	-40.55	356.16	8.58	-31.97
CC(C)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170809	1	43	-1.0	-40.46	355.18	8.56	-31.90
O=C(CCC(=O)N1CCC(C2=CC=CC=C2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170810	0	47	-1.0	-46.94	398.77	7.27	-39.67
O=C(CCC(=O)N1CCC(C2=CC=CC=C2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170810	1	47	-1.0	-46.98	398.82	7.28	-39.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300020170811	0	41	-1.0	-44.13	348.27	5.97	-38.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300020170811	1	41	-1.0	-44.12	348.32	5.97	-38.15
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170812	0	38	-1.0	-47.90	331.49	1.12	-46.78
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170812	1	38	-1.0	-47.88	331.54	1.12	-46.76
NS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170813	0	35	-1.0	-51.23	320.20	0.52	-50.71
NS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170813	1	35	-1.0	-51.26	320.24	0.52	-50.74
O=C(C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170814	0	37	-1.0	-38.43	347.83	8.09	-30.34
O=C(C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170814	1	37	-1.0	-38.51	346.85	8.06	-30.45
O=C(CN1C(=O)CNC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170815	0	32	-1.0	-48.42	285.48	0.67	-47.75
O=C(CN1C(=O)CNC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170815	1	32	-1.0	-48.38	285.52	0.67	-47.71
CCOC1=C(Cl)C=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020170816	0	45	-1.0	-41.75	395.47	7.47	-34.28
CCOC1=C(Cl)C=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020170816	1	45	-1.0	-41.75	395.52	7.47	-34.28
CCCOC1=C(Cl)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020170817	0	44	-1.0	-40.17	383.46	7.09	-33.08
CCCOC1=C(Cl)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020170817	1	44	-1.0	-40.12	383.50	7.09	-33.03
O=C(C=CC1=CC=C(Br)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170818	0	31	-1.0	-40.13	307.88	6.50	-33.63
O=C(C=CC1=CC=C(Br)S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170818	1	31	-1.0	-40.12	307.93	6.50	-33.62
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170819	0	38	-1.0	-43.07	346.63	1.93	-41.14
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170819	1	38	-1.0	-43.03	346.67	1.95	-41.08
O=C(CCCC1=CC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170820	0	36	-1.0	-39.11	319.25	6.83	-32.28
O=C(CCCC1=CC=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170820	1	36	-1.0	-39.07	319.29	6.84	-32.23
O=C(CN1C=CC(C(F)(F)F)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170821	0	33	-1.0	-41.88	306.71	4.54	-37.34
O=C(CN1C=CC(C(F)(F)F)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170821	1	33	-1.0	-41.94	306.67	4.54	-37.40
CC1=CC=C(C)N1C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170822	0	44	-1.0	-39.30	368.47	9.50	-29.80
CC1=CC=C(C)N1C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170822	1	44	-1.0	-39.29	368.50	9.52	-29.77
COC1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170823	0	40	-1.0	-40.90	335.84	6.32	-34.58
COC1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170823	1	40	-1.0	-40.92	335.88	6.33	-34.59
CCC1=CC=C(N2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)C=C1	REAL300020170824	0	47	-1.0	-40.71	384.06	7.84	-32.87
CCC1=CC=C(N2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=O)C=C1	REAL300020170824	1	47	-1.0	-40.73	384.10	7.84	-32.89
O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170825	0	47	-1.0	-42.06	398.98	10.24	-31.82
O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170825	1	47	-1.0	-41.97	399.03	10.26	-31.71
O=C(CSCC1=CC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170826	0	34	-1.0	-39.75	320.78	6.61	-33.14
O=C(CSCC1=CC=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170826	1	34	-1.0	-39.74	320.82	6.62	-33.12
CC1=CC=CC(N2N=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC2=O)=C1	REAL300020170827	0	44	-1.0	-45.24	371.26	6.77	-38.47
CC1=CC=CC(N2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CCC2=O)=C1	REAL300020170827	1	44	-1.0	-45.24	371.37	6.77	-38.47
O=C(C=CC1=CC=C(Br)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170828	0	34	-1.0	-39.23	317.30	7.29	-31.94
O=C(C=CC1=CC=C(Br)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170828	1	34	-1.0	-39.24	317.35	7.29	-31.95
O=C(CCSC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170829	0	37	-1.0	-37.89	332.72	7.49	-30.40
O=C(CCSC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170829	1	37	-1.0	-37.93	332.77	7.50	-30.43
CC1=CC=C(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170830	0	37	-1.0	-39.31	326.05	7.29	-32.02
CC1=CC=C(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170830	1	37	-1.0	-39.32	326.10	7.30	-32.02
CC1=CC=C(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020170831	0	40	-1.0	-39.42	343.53	7.83	-31.59
CC1=CC=C(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020170831	1	40	-1.0	-39.40	343.57	7.84	-31.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2=O)NC1=O	REAL300020170832	0	39	-1.0	-61.20	328.57	4.22	-56.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2=O)NC1=O	REAL300020170832	1	39	-1.0	-61.20	328.66	4.23	-56.97
CC1=CC=C2C(=O)N(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C(=O)C2=C1	REAL300020170833	0	40	-1.0	-48.28	352.72	6.01	-42.27
CC1=CC=C2C(=O)N(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C(=O)C2=C1	REAL300020170833	1	40	-1.0	-48.25	352.77	6.03	-42.22
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170834	0	44	-1.0	-50.99	373.44	4.13	-46.86
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170834	1	44	-1.0	-50.98	373.49	4.13	-46.85
C=CCNS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170835	0	42	-1.0	-43.62	371.93	3.04	-40.58
C=CCNS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170835	1	42	-1.0	-43.59	371.97	3.05	-40.54
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170836	0	35	-1.0	-45.50	315.68	0.43	-45.07
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170836	1	35	-1.0	-45.46	315.72	0.44	-45.02
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170837	0	38	-1.0	-48.98	350.60	2.17	-46.81
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170837	1	38	-1.0	-48.90	350.65	2.17	-46.73
CCNS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170838	0	41	-1.0	-43.80	359.12	2.50	-41.30
CCNS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170838	1	41	-1.0	-43.80	359.17	2.50	-41.30
CC(C)NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170839	0	44	-1.0	-43.78	376.31	3.07	-40.71
CC(C)NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170839	1	44	-1.0	-43.76	376.35	3.08	-40.68
COC1=CC=C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170840	0	43	-1.0	-46.15	376.29	3.29	-42.86
COC1=CC=C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170840	1	43	-1.0	-46.18	376.34	3.29	-42.89
CC(OC1=CC=C(C#N)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170841	0	38	-1.0	-39.86	333.74	6.94	-32.92
CC(OC1=CC=C(C#N)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170841	1	38	-1.0	-39.85	333.79	6.94	-32.91
CCOC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020170842	0	41	-1.0	-41.74	366.29	7.73	-34.01
CCOC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020170842	1	41	-1.0	-41.68	366.34	7.73	-33.95
O=C(CCC(=O)C1=CC=C2CCCCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170843	0	48	-1.0	-43.03	390.47	9.28	-33.75
O=C(CCC(=O)C1=CC=C2CCCCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170843	1	48	-1.0	-43.02	390.52	9.29	-33.73
CN1C=NC2=C1C(=O)N(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)N2C	REAL300020170844	0	42	-1.0	-51.56	358.68	6.47	-45.09
CN1C=NC2=C1C(=O)N(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)N2C	REAL300020170844	1	42	-1.0	-51.49	358.73	6.47	-45.02
CC(OC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170845	0	37	-1.0	-38.41	319.54	6.70	-31.71
CC(OC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170845	1	37	-1.0	-38.40	320.30	6.72	-31.68
O=C(CCC(=O)C1=CC=C2CCCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170846	0	45	-1.0	-43.27	373.32	8.69	-34.58
O=C(CCC(=O)C1=CC=C2CCCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170846	1	45	-1.0	-43.32	373.36	8.70	-34.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NC=CN=C2C=C1	REAL300020170847	0	34	-1.0	-43.74	297.56	3.93	-39.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NC=CN=C2C=C1	REAL300020170847	1	34	-1.0	-43.75	297.51	3.92	-39.83
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170848	0	37	-1.0	-39.34	334.70	7.67	-31.67
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170848	1	37	-1.0	-39.30	333.72	7.64	-31.66
CCC1(CC)NC(=O)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020170849	0	44	-1.0	-47.33	362.18	4.00	-43.33
CCC1(CC)NC(=O)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020170849	1	44	-1.0	-47.26	362.22	4.00	-43.26
CCOC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1O	REAL300020170850	0	38	-1.0	-40.51	339.53	4.09	-36.42
CCOC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1O	REAL300020170850	1	38	-1.0	-40.41	339.58	4.09	-36.32
CCOC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300020170850	1	37	-2.0	-94.51	335.96	5.01	-89.50
CCOC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300020170850	1	37	-2.0	-94.43	336.01	5.01	-89.42
CC1=CC=C(C)C(N2N=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC2=O)=C1	REAL300020170851	0	47	-1.0	-44.91	388.46	7.70	-37.21
CC1=CC=C(C)C(N2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CCC2=O)=C1	REAL300020170851	1	47	-1.0	-44.91	388.50	7.70	-37.21
CCN1C(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN=C1C1=CC=CO1	REAL300020170852	0	43	-1.0	-46.70	385.02	7.63	-39.07
CCN1C(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN=C1C1=CC=CO1	REAL300020170852	1	43	-1.0	-46.69	385.07	7.65	-39.04
O=C(CSCC(=O)N1CCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170853	0	42	-1.0	-46.38	358.95	3.68	-42.70
O=C(CSCC(=O)N1CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170853	1	42	-1.0	-46.43	359.00	3.69	-42.74
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170854	0	49	-1.0	-39.66	389.30	8.96	-30.70
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CC1=CC(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)S1	REAL300020170909	0	41	-1.0	-41.76	359.16	7.39	-34.37
CC1=CC(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)S1	REAL300020170909	1	41	-1.0	-41.72	359.21	7.40	-34.32
O=C(CCCN1C(=O)OC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170910	0	42	-1.0	-49.33	362.11	7.24	-42.09
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O=C(CN1C(=O)OC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170911	0	36	-1.0	-48.44	318.59	6.03	-42.41
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O=C(CCCN1C(=O)C2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170914	0	43	-1.0	-47.86	373.86	6.55	-41.31
O=C(CCCN1C(=O)C2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170914	1	43	-1.0	-47.85	373.91	6.56	-41.29
COC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020170915	0	43	-1.0	-47.86	375.86	4.72	-43.14
COC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020170915	1	43	-1.0	-47.91	375.91	4.72	-43.19
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O=C(CNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170916	1	37	-1.0	-41.98	337.25	4.49	-37.49
CC(SC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170917	0	37	-1.0	-38.57	343.20	7.80	-30.77
CC(SC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170917	1	37	-1.0	-37.93	344.24	7.83	-30.10
O=C(CN1C(=O)NC2(CCCC2)C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170918	0	42	-1.0	-45.15	351.25	3.22	-41.93
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O=C(CSC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170919	0	34	-1.0	-37.97	311.05	6.68	-31.29
O=C(CSC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170919	1	34	-1.0	-37.86	310.08	6.66	-31.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])S1	REAL300020170920	0	29	-1.0	-39.34	283.48	5.32	-34.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])S1	REAL300020170920	1	29	-1.0	-39.34	283.53	5.32	-34.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1COC2=CC=CC=C2O1	REAL300020170921	0	36	-1.0	-40.99	308.38	5.45	-35.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1COC2=CC=CC=C2O1	REAL300020170921	1	36	-1.0	-40.95	308.42	5.45	-35.50
O=C(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170922	0	39	-1.0	-45.91	348.66	4.63	-41.28
O=C(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170922	1	39	-1.0	-45.69	347.70	4.62	-41.07
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170923	0	41	-1.0	-43.99	356.05	3.46	-40.53
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170923	1	41	-1.0	-43.97	356.10	3.46	-40.51
CCOC1=CC=CC=C1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170924	0	41	-1.0	-44.44	346.14	6.62	-37.82
CCOC1=CC=CC=C1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170924	1	41	-1.0	-44.44	346.19	6.64	-37.80
CCC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170925	0	40	-1.0	-40.33	337.93	7.39	-32.94
CCC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170925	1	40	-1.0	-40.35	337.98	7.40	-32.95
CC1=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020170926	0	37	-1.0	-38.95	330.49	7.05	-31.90
CC1=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020170926	1	37	-1.0	-38.89	330.53	7.07	-31.82
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CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1NC(=O)C1=CC=CO1	REAL300020170928	0	44	-1.0	-49.78	376.24	6.40	-43.38
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1NC(=O)C1=CC=CO1	REAL300020170928	1	44	-1.0	-50.64	375.28	6.38	-44.26
CNS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170929	0	38	-1.0	-45.42	338.08	1.64	-43.78
CNS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170929	1	38	-1.0	-45.44	338.12	1.64	-43.80
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CC(SCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CC=CC=C2N1	REAL300020170933	0	43	-1.0	-42.02	372.61	6.87	-35.15
CC(SCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CC=CC=C2N1	REAL300020170933	1	43	-1.0	-42.03	372.66	6.88	-35.15
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CS(=O)(=O)C1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170935	1	36	-1.0	-52.08	334.74	3.53	-48.55
CC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020170936	0	40	-1.0	-42.32	322.35	4.54	-37.78
CC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020170936	1	40	-1.0	-42.29	322.40	4.54	-37.75
COC1=CC(OC)=C(OC)C=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170937	0	46	-1.0	-45.20	382.28	5.27	-39.93
COC1=CC(OC)=C(OC)C=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170937	1	46	-1.0	-45.18	382.32	5.27	-39.91
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170938	0	44	-1.0	-47.60	374.96	3.18	-44.42
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170938	1	44	-1.0	-47.56	375.01	3.19	-44.37
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CC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170940	0	37	-1.0	-40.47	316.45	6.62	-33.85
CC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170940	1	37	-1.0	-40.51	316.49	6.64	-33.87
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O=C(CSC1=NC2=CC=CC=C2S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170941	1	36	-1.0	-42.15	339.84	6.29	-35.86
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CC1=C(C(C)C)C=C2C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=COC2=C1	REAL300020170943	0	48	-1.0	-43.51	390.33	8.95	-34.56
CC1=C(C(C)C)C=C2C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=COC2=C1	REAL300020170943	1	48	-1.0	-43.52	390.37	8.96	-34.56
CC1=CC=C2C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=COC2=C1	REAL300020170944	0	39	-1.0	-41.65	334.42	7.17	-34.48
CC1=CC=C2C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=COC2=C1	REAL300020170944	1	39	-1.0	-41.65	334.47	7.17	-34.48
CCC1=CC=C2C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=COC2=C1	REAL300020170945	0	42	-1.0	-41.42	355.90	7.94	-33.48
CCC1=CC=C2C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=COC2=C1	REAL300020170945	1	42	-1.0	-41.40	355.95	7.94	-33.46
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170946	0	42	-1.0	-43.94	354.43	8.59	-35.35
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170946	1	42	-1.0	-43.91	354.47	8.59	-35.32
O=C(CC1=COC2=CC3=C(C=C12)CCC3)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170947	0	43	-1.0	-42.29	358.59	8.40	-33.89
O=C(CC1=COC2=CC3=C(C=C12)CCC3)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170947	1	43	-1.0	-42.23	358.64	8.40	-33.83
O=C(COC1=CC=C(F)C=C1Br)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170948	0	34	-1.0	-39.17	321.87	6.66	-32.51
O=C(COC1=CC=C(F)C=C1Br)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170948	1	34	-1.0	-39.22	321.91	6.67	-32.55
CC(=O)C1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170949	0	39	-1.0	-46.63	334.53	6.32	-40.31
CC(=O)C1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170949	1	39	-1.0	-46.62	334.58	6.32	-40.30
CSC1=CC=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170950	0	34	-1.0	-42.98	297.22	6.48	-36.50
CSC1=CC=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170950	1	34	-1.0	-43.01	297.26	6.48	-36.53
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CC(NC(=O)NC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170954	0	42	-1.0	-44.15	353.83	4.06	-40.09
CC(NC(=O)NC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170954	1	42	-1.0	-41.41	353.62	4.03	-37.38
CC1=CC=C2C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=COC2=C1C	REAL300020170955	0	42	-1.0	-42.27	351.37	7.70	-34.57
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CCOC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020170960	1	45	-1.0	-41.62	395.52	7.43	-34.19
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CSC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020170961	1	36	-1.0	-38.76	324.10	6.97	-31.79
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COC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170965	0	37	-1.0	-40.78	314.64	5.43	-35.35
COC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170965	1	37	-1.0	-40.73	314.68	5.44	-35.29
CC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020170966	0	37	-1.0	-41.78	334.42	3.77	-38.01
CC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020170966	1	37	-1.0	-41.82	334.46	3.78	-38.04
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CC1(C)NC(=O)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020170969	0	38	-1.0	-46.77	327.43	2.05	-44.72
CC1(C)NC(=O)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020170969	1	38	-1.0	-46.72	327.47	2.05	-44.67
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL300020170970	1	27	-1.0	-38.33	270.69	5.11	-33.22
COC1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170971	0	44	-1.0	-41.11	367.01	5.84	-35.27
COC1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170971	1	44	-1.0	-41.18	367.06	5.84	-35.34
CC(C)(C)C1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170972	0	52	-1.0	-40.18	413.68	8.88	-31.30
CC(C)(C)C1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170972	1	52	-1.0	-40.15	413.73	8.88	-31.27
CC1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170973	0	43	-1.0	-40.61	358.90	7.22	-33.39
CC1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170973	1	43	-1.0	-40.57	358.94	7.23	-33.34
CC1=CC=CC(OCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170974	0	43	-1.0	-40.76	358.90	7.22	-33.54
CC1=CC=CC(OCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170974	1	43	-1.0	-40.77	358.94	7.23	-33.54
CC(NC(=O)C1=CC=CO1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170975	0	37	-1.0	-43.32	324.07	2.81	-40.51
CC(NC(=O)C1=CC=CO1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170975	1	37	-1.0	-43.29	324.11	2.81	-40.48
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CC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170977	0	39	-1.0	-40.84	320.66	7.38	-33.46
CC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170977	1	39	-1.0	-40.82	320.71	7.38	-33.44
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CCC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170982	0	40	-1.0	-40.30	336.93	7.36	-32.94
CCC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170982	1	40	-1.0	-40.30	336.98	7.37	-32.93
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CC1=CC=C(C)C(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020170985	0	44	-1.0	-44.82	376.83	3.43	-41.39
CC1=CC=C(C)C(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020170985	1	44	-1.0	-44.82	376.88	3.45	-41.37
CC1=CC(C)=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020170986	0	43	-1.0	-41.04	358.26	8.07	-32.97
CC1=CC(C)=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020170986	1	43	-1.0	-41.03	358.30	8.08	-32.95
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COC1=CC=CC=C1C(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170988	0	41	-1.0	-46.25	347.80	4.53	-41.72
COC1=CC=CC=C1C(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170988	1	41	-1.0	-46.28	347.84	4.54	-41.74
O=C(CNS(=O)(=O)C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170989	0	38	-1.0	-44.02	340.21	1.86	-42.16
O=C(CNS(=O)(=O)C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170989	1	38	-1.0	-44.03	340.26	1.88	-42.15
O=C(CC1=CC=CC=C1)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170990	0	40	-1.0	-42.70	345.11	4.66	-38.04
O=C(CC1=CC=CC=C1)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170990	1	40	-1.0	-42.70	345.15	4.67	-38.03
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170991	0	40	-1.0	-43.16	359.35	5.13	-38.03
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170991	1	40	-1.0	-43.15	359.39	5.13	-38.02
O=C(CCNS(=O)(=O)C=CC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170992	0	45	-1.0	-44.27	394.20	3.69	-40.58
O=C(CCNS(=O)(=O)C=CC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170992	1	45	-1.0	-44.26	394.25	3.69	-40.57
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170993	0	44	-1.0	-40.70	379.73	3.18	-37.52
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170993	1	44	-1.0	-40.72	379.78	3.19	-37.53
CC1=CC=C(CN2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)C=C1	REAL300020170994	0	47	-1.0	-41.24	391.75	7.75	-33.49
CC1=CC=C(CN2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=O)C=C1	REAL300020170994	1	47	-1.0	-41.21	391.79	7.75	-33.46
CCOC1=CC=C(N2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)C=C1	REAL300020170995	0	48	-1.0	-40.93	392.53	6.61	-34.32
CCOC1=CC=C(N2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=O)C=C1	REAL300020170995	1	48	-1.0	-40.96	392.58	6.63	-34.33
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COC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020170997	0	40	-1.0	-41.52	350.76	7.34	-34.18
COC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020170997	1	40	-1.0	-41.46	349.78	7.30	-34.16
CC1=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(C)C	REAL300020170998	0	46	-1.0	-40.67	372.47	8.40	-32.27
CC1=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(C)C	REAL300020170998	1	46	-1.0	-40.64	372.52	8.41	-32.23
O=C(COC1=CC=CC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170999	0	40	-1.0	-42.56	340.08	8.25	-34.31
O=C(COC1=CC=CC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170999	1	40	-1.0	-42.52	340.12	8.27	-34.25
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)O1	REAL300020171000	0	45	-1.0	-46.68	382.32	8.47	-38.21
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)O1	REAL300020171000	1	45	-1.0	-46.66	382.27	8.46	-38.20
CS(=O)(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171001	0	38	-1.0	-44.34	334.92	2.20	-42.14
CS(=O)(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171001	1	38	-1.0	-44.31	334.97	2.21	-42.10
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O=C(CCC(=O)C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171002	1	38	-1.0	-42.81	327.80	6.79	-36.02
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O=C(CN1C(=O)C2=CC=CC([N+](=O)[O-])=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171003	1	39	-1.0	-56.46	354.53	6.92	-49.54
O=C(CCN1C(=O)C2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171004	0	40	-1.0	-46.80	352.36	5.74	-41.06
O=C(CCN1C(=O)C2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171004	1	40	-1.0	-46.78	352.41	5.75	-41.03
CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171005	0	37	-1.0	-40.03	312.76	5.72	-34.31
CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171005	1	37	-1.0	-39.98	312.80	5.72	-34.26
CC(C)CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171006	0	46	-1.0	-39.62	373.32	7.82	-31.80
CC(C)CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171006	1	46	-1.0	-39.63	373.36	7.83	-31.80
CCCCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171007	0	49	-1.0	-39.59	398.75	8.86	-30.73
CCCCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171007	1	49	-1.0	-39.55	398.79	8.87	-30.68
CC(C)OC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171008	0	40	-1.0	-41.10	332.53	6.43	-34.67
CC(C)OC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171008	1	40	-1.0	-41.07	332.57	6.44	-34.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL300020171009	0	33	-1.0	-45.17	291.72	5.86	-39.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL300020171009	1	33	-1.0	-45.11	291.76	5.87	-39.24
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OCC(C)C	REAL300020171010	0	47	-1.0	-40.58	383.57	7.08	-33.50
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OCC(C)C	REAL300020171010	1	47	-1.0	-40.53	383.61	7.09	-33.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1	REAL300020171011	0	42	-1.0	-43.19	357.90	8.72	-34.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1	REAL300020171011	1	42	-1.0	-43.19	357.95	8.73	-34.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300020171012	0	27	-1.0	-38.37	275.27	5.22	-33.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300020171012	1	27	-1.0	-38.36	275.31	5.22	-33.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C(=O)CCC2=O)C=C1	REAL300020171013	0	40	-1.0	-49.91	346.55	6.02	-43.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C(=O)CCC2=O)C=C1	REAL300020171013	1	40	-1.0	-49.86	346.60	6.02	-43.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2C(=O)CCC2=O)=C1	REAL300020171014	0	40	-1.0	-51.10	346.67	6.01	-45.09
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2C(=O)CCC2=O)=C1	REAL300020171014	1	40	-1.0	-51.06	346.72	6.01	-45.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(CC2=CC=CC=C2)C1	REAL300020171015	0	44	-1.0	-40.93	370.42	7.07	-33.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(CC2=CC=CC=C2)C1	REAL300020171015	1	44	-1.0	-40.87	370.47	7.07	-33.80
CC1=C(C)C2=C(SCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=CN=C2S1	REAL300020171016	0	41	-1.0	-42.22	367.01	7.13	-35.09
CC1=C(C)C2=C(SCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=CN=C2S1	REAL300020171016	1	41	-1.0	-42.21	367.06	7.14	-35.07
CC1=CC=C(C)C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171017	0	44	-1.0	-42.35	365.42	8.12	-34.23
CC1=CC=C(C)C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171017	1	44	-1.0	-42.30	365.46	8.12	-34.18
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020171018	0	38	-1.0	-43.06	329.86	4.96	-38.10
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020171018	1	38	-1.0	-43.01	329.91	4.97	-38.04
NS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171019	0	35	-1.0	-45.71	315.71	0.42	-45.29
NS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171019	1	35	-1.0	-45.71	315.75	0.43	-45.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020171020	0	44	-1.0	-41.11	372.66	8.77	-32.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020171020	1	44	-1.0	-41.07	372.70	8.78	-32.29
O=C(CCC1=NC(=O)C2=CC=CC=C2N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171021	0	41	-1.0	-56.07	352.03	4.98	-51.09
O=C(CCC1=NC(=O)C2=CC=CC=C2N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171021	1	41	-1.0	-56.02	352.07	4.99	-51.03
CCCC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171022	0	47	-1.0	-42.28	392.13	9.00	-33.28
CCCC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171022	1	47	-1.0	-42.24	392.17	9.02	-33.22
O=C(C=CC1=CC=CC=C1OC(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171023	0	38	-1.0	-43.13	334.13	6.31	-36.82
O=C(C=CC1=CC=CC=C1OC(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171023	1	38	-1.0	-43.07	334.17	6.31	-36.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CC=C1Cl	REAL300020171024	0	30	-1.0	-39.75	295.32	6.62	-33.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CC=C1Cl	REAL300020171024	1	30	-1.0	-39.71	295.36	6.62	-33.09
O=C(CC1=CC=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171025	0	33	-1.0	-37.37	316.10	7.08	-30.29
O=C(CC1=CC=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171025	1	33	-1.0	-37.36	316.14	7.08	-30.28
O=C(CN1C(=O)C2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171026	0	37	-1.0	-49.08	331.33	5.35	-43.73
O=C(CN1C(=O)C2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171026	1	37	-1.0	-49.08	331.38	5.36	-43.72
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020171027	0	30	-1.0	-38.06	272.45	5.63	-32.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020171027	1	30	-1.0	-37.98	272.49	5.63	-32.35
O=C(CCC(=O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171028	0	38	-1.0	-41.41	334.14	6.85	-34.56
O=C(CCC(=O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171028	1	38	-1.0	-41.42	334.18	6.86	-34.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020171029	0	36	-1.0	-42.32	307.57	7.74	-34.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020171029	1	36	-1.0	-42.31	307.61	7.75	-34.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1I	REAL300020171030	0	30	-1.0	-39.73	283.24	6.55	-33.18
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1I	REAL300020171030	1	30	-1.0	-39.76	283.29	6.56	-33.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020171031	0	41	-1.0	-41.39	350.27	8.31	-33.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020171031	1	41	-1.0	-41.36	350.32	8.31	-33.05
O=C(CCC(=O)C1=CC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171032	0	35	-1.0	-42.44	318.63	5.87	-36.57
O=C(CCC(=O)C1=CC=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171032	1	35	-1.0	-42.41	318.67	5.89	-36.52
NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020171033	0	34	-1.0	-39.60	301.93	4.21	-35.39
NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020171033	1	34	-1.0	-39.60	302.00	4.22	-35.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CC=CC=C2C=C1	REAL300020171034	0	35	-1.0	-49.22	304.01	5.89	-43.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CC=CC=C2C=C1	REAL300020171034	1	35	-1.0	-49.21	303.97	5.89	-43.32
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171035	0	42	-1.0	-40.71	337.61	7.80	-32.91
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171035	1	42	-1.0	-40.73	337.65	7.80	-32.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020171036	0	32	-1.0	-37.28	289.67	6.15	-31.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020171036	1	32	-1.0	-37.30	289.71	6.15	-31.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020171037	0	41	-1.0	-40.50	350.21	8.34	-32.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020171037	1	41	-1.0	-40.39	350.26	8.34	-32.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020171038	0	33	-1.0	-38.17	300.21	6.47	-31.70
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020171038	1	33	-1.0	-38.12	300.25	6.47	-31.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300020171039	0	32	-1.0	-45.84	304.88	7.22	-38.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300020171039	1	32	-1.0	-45.88	304.93	7.22	-38.66
CCOC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(OCC)=C1OCC	REAL300020171040	0	51	-1.0	-40.36	418.88	7.42	-32.94
CCOC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(OCC)=C1OCC	REAL300020171040	1	51	-1.0	-40.32	418.93	7.42	-32.90
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(I)C=C1	REAL300020171041	0	30	-1.0	-37.71	289.27	6.58	-31.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(I)C=C1	REAL300020171041	1	30	-1.0	-37.68	289.31	6.58	-31.10
O=C(C=CC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171042	0	36	-1.0	-40.98	324.18	7.34	-33.64
O=C(C=CC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171042	1	36	-1.0	-41.01	324.23	7.34	-33.67
O=C(CCCOC1=CC=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171043	0	40	-1.0	-40.10	370.25	7.62	-32.48
O=C(CCCOC1=CC=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171043	1	40	-1.0	-40.03	370.30	7.63	-32.40
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171044	0	37	-1.0	-38.30	345.69	7.58	-30.72
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171044	1	37	-1.0	-38.27	345.74	7.58	-30.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1Cl	REAL300020171045	0	30	-1.0	-36.88	290.74	6.50	-30.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1Cl	REAL300020171045	1	30	-1.0	-36.86	290.79	6.50	-30.36
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020171046	0	41	-1.0	-41.83	343.88	5.33	-36.50
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020171046	1	41	-1.0	-41.80	343.93	5.33	-36.47
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020171047	0	38	-1.0	-41.07	320.11	4.69	-36.38
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020171047	1	38	-1.0	-41.07	320.15	4.70	-36.37
CSC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171048	0	34	-1.0	-43.43	314.18	7.01	-36.42
CSC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171048	1	34	-1.0	-43.44	314.22	7.02	-36.42
O=C(CC1=C(Cl)C=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171049	0	33	-1.0	-41.13	314.22	7.00	-34.13
O=C(CC1=C(Cl)C=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171049	1	33	-1.0	-41.12	314.27	7.01	-34.11
O=C(CC1=CC=CC(C(F)(F)F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171050	0	36	-1.0	-38.38	323.85	7.13	-31.25
O=C(CC1=CC=CC(C(F)(F)F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171050	1	36	-1.0	-38.40	323.90	7.13	-31.27
COC1=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020171051	0	48	-1.0	-42.82	399.43	6.08	-36.74
COC1=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020171051	1	48	-1.0	-42.80	399.47	6.09	-36.71
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020171052	0	38	-1.0	-42.22	344.43	6.80	-35.42
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020171052	1	38	-1.0	-42.16	344.48	6.81	-35.35
CC1=CC(Cl)=CC=C1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171053	0	37	-1.0	-38.73	331.84	7.17	-31.56
CC1=CC(Cl)=CC=C1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171053	1	37	-1.0	-38.69	331.89	7.18	-31.51
O=C(C=CC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171054	0	34	-1.0	-39.08	312.74	7.19	-31.89
O=C(C=CC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171054	1	34	-1.0	-39.09	312.79	7.19	-31.90
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(OC)=C1	REAL300020171055	0	42	-1.0	-43.44	353.11	5.33	-38.11
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(OC)=C1	REAL300020171055	1	42	-1.0	-43.38	353.15	5.33	-38.05
COC1=CC=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171056	0	38	-1.0	-41.26	325.49	5.97	-35.29
COC1=CC=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171056	1	38	-1.0	-41.26	325.53	5.97	-35.29
O=C(C=CC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171057	0	36	-1.0	-46.39	320.74	7.21	-39.18
O=C(C=CC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171057	1	36	-1.0	-45.12	321.26	7.23	-37.89
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020171058	0	46	-1.0	-42.37	387.81	5.83	-36.54
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020171058	1	46	-1.0	-42.37	387.85	5.84	-36.53
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC2=CC=CC=C21	REAL300020171059	0	33	-1.0	-46.76	290.38	4.15	-42.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC2=CC=CC=C21	REAL300020171059	1	33	-1.0	-46.71	290.43	4.16	-42.55
CC1=NC(COC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=NO1	REAL300020171060	0	42	-1.0	-44.76	364.24	4.29	-40.47
CC1=NC(COC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=NO1	REAL300020171060	1	42	-1.0	-44.80	364.28	4.29	-40.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC(F)F)=C1	REAL300020171061	0	34	-1.0	-41.52	300.73	5.06	-36.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC(F)F)=C1	REAL300020171061	1	34	-1.0	-41.51	300.77	5.06	-36.45
O=C(CSC1=CC(Cl)=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171062	0	34	-1.0	-38.75	336.39	7.58	-31.17
O=C(CSC1=CC(Cl)=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171062	1	34	-1.0	-38.74	336.43	7.60	-31.14
O=C(CSC1=CC=CC2=CC=CC(Cl)=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171063	0	40	-1.0	-43.71	358.49	9.08	-34.63
O=C(CSC1=CC=CC2=CC=CC(Cl)=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171063	1	40	-1.0	-43.73	358.53	9.09	-34.64
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171064	0	43	-1.0	-40.97	360.34	9.57	-31.40
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171064	1	43	-1.0	-40.95	360.39	9.58	-31.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(I)=C1	REAL300020171065	0	30	-1.0	-38.23	289.28	6.57	-31.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(I)=C1	REAL300020171065	1	30	-1.0	-38.19	289.32	6.57	-31.62
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171066	0	37	-1.0	-40.59	315.64	5.45	-35.14
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171066	1	37	-1.0	-40.53	315.68	5.46	-35.07
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1=NNC(=O)C=C1	REAL300020171067	0	39	-1.0	-40.91	338.22	3.82	-37.09
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1=NNC(=O)C=C1	REAL300020171067	1	39	-1.0	-40.93	338.26	3.83	-37.10
COC1=CC=CC=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171068	0	38	-1.0	-43.49	324.37	6.04	-37.45
COC1=CC=CC=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171068	1	38	-1.0	-43.46	324.42	6.04	-37.42
O=C(CSC1=CC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171069	0	40	-1.0	-40.44	350.74	8.88	-31.56
O=C(CSC1=CC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171069	1	40	-1.0	-40.45	350.78	8.90	-31.55
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C=N2	REAL300020171070	0	42	-1.0	-49.12	358.97	6.27	-42.85
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C=N2	REAL300020171070	1	42	-1.0	-49.08	359.02	6.26	-42.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C21	REAL300020171071	0	45	-1.0	-43.58	375.45	9.52	-34.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C21	REAL300020171071	1	45	-1.0	-43.63	375.40	9.52	-34.11
O=C(CC1=CC=CC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171072	0	39	-1.0	-42.10	327.79	8.26	-33.84
O=C(CC1=CC=CC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171072	1	39	-1.0	-42.01	327.82	8.26	-33.75
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)C(C)=C1	REAL300020171073	0	43	-1.0	-42.06	360.60	7.67	-34.39
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C(C)=C1	REAL300020171073	1	43	-1.0	-41.99	360.64	7.66	-34.33
O=C(CCCOC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171074	0	40	-1.0	-40.61	337.51	6.56	-34.05
O=C(CCCOC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171074	1	40	-1.0	-40.63	337.56	6.56	-34.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2N=CSC2=C1	REAL300020171075	0	32	-1.0	-41.29	292.66	4.88	-36.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2N=CSC2=C1	REAL300020171075	1	32	-1.0	-41.34	292.61	4.87	-36.47
CCOC1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171076	0	47	-1.0	-40.85	388.84	6.76	-34.09
CCOC1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171076	1	47	-1.0	-40.84	388.89	6.77	-34.07
CC(=O)C1=C(C)NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020171077	0	39	-1.0	-41.15	332.51	5.03	-36.12
CC(=O)C1=C(C)NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020171077	1	39	-1.0	-42.42	333.54	5.07	-37.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300020171078	0	33	-1.0	-39.37	287.52	4.15	-35.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300020171078	1	33	-1.0	-39.38	287.56	4.15	-35.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)O1	REAL300020171079	0	27	-1.0	-41.06	267.42	4.22	-36.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)O1	REAL300020171079	1	27	-1.0	-41.07	267.46	4.22	-36.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)N=C1	REAL300020171080	0	29	-1.0	-39.43	273.39	4.13	-35.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)N=C1	REAL300020171080	1	29	-1.0	-39.49	273.35	4.13	-35.36
CCCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171081	0	46	-1.0	-39.64	377.25	8.08	-31.56
CCCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171081	1	46	-1.0	-39.66	377.29	8.08	-31.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(Br)=C1	REAL300020171082	0	29	-1.0	-37.77	277.86	4.32	-33.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(Br)=C1	REAL300020171082	1	29	-1.0	-37.81	277.82	4.32	-33.49
O=C(CC1=C(F)C=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171083	0	33	-1.0	-41.64	304.47	6.58	-35.06
O=C(CC1=C(F)C=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171083	1	33	-1.0	-41.64	304.52	6.58	-35.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1Cl	REAL300020171084	0	30	-1.0	-38.72	289.20	6.44	-32.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1Cl	REAL300020171084	1	30	-1.0	-38.73	289.25	6.46	-32.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1Cl	REAL300020171085	0	30	-1.0	-39.89	290.75	6.51	-33.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1Cl	REAL300020171085	1	30	-1.0	-39.91	290.80	6.52	-33.39
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1	REAL300020171086	0	30	-1.0	-37.03	294.96	6.50	-30.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1	REAL300020171086	1	30	-1.0	-37.07	295.01	6.50	-30.57
O=C(CC1=CC=C(Cl)C(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171087	0	33	-1.0	-38.48	317.03	7.10	-31.38
O=C(CC1=CC=C(Cl)C(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171087	1	33	-1.0	-38.44	317.07	7.10	-31.34
CCN(CC)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171088	0	44	-1.0	-42.62	356.39	7.78	-34.84
CCN(CC)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171088	1	44	-1.0	-42.58	356.44	7.78	-34.80
COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1OC	REAL300020171089	0	38	-1.0	-43.53	318.89	5.66	-37.87
COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1OC	REAL300020171089	1	38	-1.0	-43.50	318.92	5.66	-37.84
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(OC)=C1	REAL300020171090	0	38	-1.0	-43.49	318.19	5.24	-38.25
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(OC)=C1	REAL300020171090	1	38	-1.0	-43.47	318.24	5.24	-38.23
COC1=CC(OC)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171091	0	38	-1.0	-44.42	320.44	4.09	-40.33
COC1=CC(OC)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171091	1	38	-1.0	-44.43	320.48	4.09	-40.34
CN(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171092	0	38	-1.0	-42.28	312.20	5.87	-36.41
CN(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171092	1	38	-1.0	-42.29	312.24	5.86	-36.43
CN(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171093	0	38	-1.0	-42.69	311.99	5.88	-36.81
CN(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171093	1	38	-1.0	-42.66	312.04	5.88	-36.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020171094	0	40	-1.0	-41.85	335.58	8.89	-32.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020171094	1	40	-1.0	-41.76	335.63	8.90	-32.86
O=C(CC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171095	0	33	-1.0	-38.06	302.86	6.67	-31.39
O=C(CC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171095	1	33	-1.0	-38.05	302.91	6.68	-31.37
O=C(COC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171096	0	34	-1.0	-38.71	311.77	6.47	-32.24
O=C(COC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171096	1	34	-1.0	-38.55	310.80	6.45	-32.10
O=C(CCC(=O)C1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171097	0	38	-1.0	-41.08	344.46	7.30	-33.78
O=C(CCC(=O)C1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171097	1	38	-1.0	-41.10	344.51	7.32	-33.78
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL300020171098	0	38	-1.0	-42.90	325.26	4.92	-37.98
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL300020171098	1	38	-1.0	-42.93	325.31	4.92	-38.01
O=C(COC1=CC=CC=C1)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171099	0	41	-1.0	-44.92	354.03	4.55	-40.37
O=C(COC1=CC=CC=C1)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171099	1	41	-1.0	-44.96	354.08	4.55	-40.41
CC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171100	0	41	-1.0	-42.75	349.15	7.46	-35.29
CC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171100	1	41	-1.0	-42.79	349.19	7.47	-35.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=N1	REAL300020171101	0	29	-1.0	-46.56	275.63	4.18	-42.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=N1	REAL300020171101	1	29	-1.0	-46.59	275.59	4.18	-42.41
O=C(CCC1=CNC2=CC=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171102	0	40	-1.0	-41.50	339.43	7.01	-34.49
O=C(CCC1=CNC2=CC=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171102	1	40	-1.0	-41.53	339.48	7.03	-34.50
CC1=CC(C)=NC(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020171103	0	38	-1.0	-43.44	340.35	5.40	-38.04
CC1=CC(C)=NC(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020171103	1	38	-1.0	-43.40	340.39	5.41	-37.99
CC1=CC=C(C)C(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171104	0	40	-1.0	-39.69	344.55	7.85	-31.84
CC1=CC=C(C)C(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171104	1	40	-1.0	-39.64	344.60	7.86	-31.78
O=C(COC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171105	0	36	-1.0	-48.69	321.07	7.10	-41.59
O=C(COC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171105	1	36	-1.0	-48.72	321.11	7.12	-41.60
O=C(C=CC1=CC(Cl)=C2OCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171106	0	37	-1.0	-41.53	338.80	5.86	-35.67
O=C(C=CC1=CC(Cl)=C2OCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171106	1	37	-1.0	-41.52	338.85	5.86	-35.66
O=C(CCN1NC(=O)C2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171107	0	42	-1.0	-44.14	362.73	4.06	-40.08
O=C(CCN1NC(=O)C2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171107	1	42	-1.0	-44.11	362.77	4.07	-40.04
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1CC1=CC=CO1	REAL300020171108	0	44	-1.0	-47.50	368.39	8.04	-39.46
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1CC1=CC=CO1	REAL300020171108	1	44	-1.0	-47.53	368.44	8.04	-39.49
CC1=NC2=NC=NN2C(C)=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171109	0	43	-1.0	-44.65	358.60	8.86	-35.79
CC1=NC2=NC=NN2C(C)=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171109	1	43	-1.0	-44.65	358.64	8.87	-35.78
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171110	0	44	-1.0	-40.57	376.21	5.12	-35.45
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171110	1	44	-1.0	-38.84	377.22	5.15	-33.69
O=C(CSC1=CC=C2CCCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171111	0	41	-1.0	-39.78	350.21	8.52	-31.26
O=C(CSC1=CC=C2CCCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171111	1	41	-1.0	-39.76	350.25	8.53	-31.23
O=C(COC1=CC=C(F)C=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171112	0	34	-1.0	-39.30	317.48	6.55	-32.75
O=C(COC1=CC=C(F)C=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171112	1	34	-1.0	-39.32	317.52	6.56	-32.76
O=C(NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1)C1=CC=CS1	REAL300020171113	0	41	-1.0	-49.65	365.29	6.51	-43.14
O=C(NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1)C1=CC=CS1	REAL300020171113	1	41	-1.0	-49.61	365.33	6.51	-43.10
O=C(CCNC(=O)C1=CSC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171114	0	37	-1.0	-44.83	333.96	3.52	-41.31
O=C(CCNC(=O)C1=CSC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171114	1	37	-1.0	-44.80	334.01	3.52	-41.28
O=C(CCCNC(=O)C1=CSC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171115	0	40	-1.0	-44.48	355.46	4.32	-40.16
O=C(CCCNC(=O)C1=CSC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171115	1	40	-1.0	-44.43	355.51	4.33	-40.10
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)C1=CC=CC=C1	REAL300020171116	0	43	-1.0	-45.63	361.98	5.76	-39.87
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)C1=CC=CC=C1	REAL300020171116	1	43	-1.0	-45.61	362.03	5.76	-39.85
CC(=O)NC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020171117	0	43	-1.0	-42.27	371.27	6.12	-36.15
CC(=O)NC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020171117	1	43	-1.0	-43.92	370.33	6.12	-37.80
CC(=O)NC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL300020171118	0	46	-1.0	-42.84	386.03	6.66	-36.18
CC(=O)NC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL300020171118	1	46	-1.0	-42.82	386.07	6.67	-36.15
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171119	0	39	-1.0	-42.99	351.09	7.73	-35.26
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171119	1	39	-1.0	-42.98	351.14	7.74	-35.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCCOC2=C1	REAL300020171120	0	39	-1.0	-40.42	324.29	5.43	-34.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCCOC2=C1	REAL300020171120	1	39	-1.0	-40.38	324.33	5.43	-34.95
O=C(CCCN1C(=O)CNC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171121	0	38	-1.0	-47.67	329.02	1.88	-45.79
O=C(CCCN1C(=O)CNC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171121	1	38	-1.0	-48.08	328.05	1.87	-46.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2SCCCS2)C=C1	REAL300020171122	0	42	-1.0	-43.61	366.14	9.04	-34.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2SCCCS2)C=C1	REAL300020171122	1	42	-1.0	-43.61	366.19	9.04	-34.57
COC1=CC=C(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171123	0	38	-1.0	-39.50	334.12	5.90	-33.60
COC1=CC=C(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171123	1	38	-1.0	-39.23	333.15	5.89	-33.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300020171124	0	30	-1.0	-35.78	274.18	5.60	-30.18
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300020171124	1	30	-1.0	-35.75	274.23	5.60	-30.15
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020171125	0	34	-1.0	-38.74	297.11	4.86	-33.88
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020171125	1	34	-1.0	-38.76	297.16	4.86	-33.90
O=C(C=CC1=NC2=CC=CC=C2O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171126	0	36	-1.0	-43.44	320.25	3.72	-39.72
O=C(C=CC1=NC2=CC=CC=C2O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171126	1	36	-1.0	-43.46	320.29	3.72	-39.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCC(=O)NC2=C1	REAL300020171127	0	36	-1.0	-40.14	312.20	2.70	-37.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCC(=O)NC2=C1	REAL300020171127	1	36	-1.0	-40.14	312.24	2.73	-37.41
CC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020171128	0	38	-1.0	-42.55	340.43	6.69	-35.86
CC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020171128	1	38	-1.0	-42.52	340.47	6.70	-35.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C2OCOC2=C1	REAL300020171129	0	33	-1.0	-39.11	304.25	4.67	-34.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C2OCOC2=C1	REAL300020171129	1	33	-1.0	-39.12	304.29	4.68	-34.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SCCC(=O)NC2=C1	REAL300020171130	0	39	-1.0	-40.45	338.02	4.88	-35.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2SCCC(=O)NC2=C1	REAL300020171130	1	39	-1.0	-40.50	338.06	4.87	-35.63
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171131	0	40	-1.0	-42.73	355.43	6.34	-36.39
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171131	1	40	-1.0	-42.68	355.47	6.35	-36.33
CC1=CC=C(NC(=O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171132	0	37	-1.0	-44.08	318.54	4.37	-39.71
CC1=CC=C(NC(=O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171132	1	37	-1.0	-44.04	318.58	4.39	-39.65
CCOC1=CC=C(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171133	0	41	-1.0	-39.26	355.97	6.83	-32.43
CCOC1=CC=C(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171133	1	41	-1.0	-39.22	356.02	6.84	-32.38
O=C(CCC1=NC2=CC=CC=C2O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171134	0	38	-1.0	-43.38	329.86	3.93	-39.45
O=C(CCC1=NC2=CC=CC=C2O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171134	1	38	-1.0	-43.36	329.90	3.94	-39.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C2OCCOC2=C1	REAL300020171135	0	36	-1.0	-41.86	321.90	5.18	-36.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C2OCCOC2=C1	REAL300020171135	1	36	-1.0	-41.90	321.94	5.19	-36.71
O=C(CSC1=CC=C(C(F)(F)F)C=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171136	0	36	-1.0	-39.54	341.65	6.00	-33.54
O=C(CSC1=CC=C(C(F)(F)F)C=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171136	1	36	-1.0	-39.60	341.61	5.99	-33.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2CCCC2=O)C=C1	REAL300020171137	0	44	-1.0	-50.77	368.94	7.24	-43.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2CCCC2=O)C=C1	REAL300020171137	1	44	-1.0	-50.70	368.98	7.24	-43.46
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171138	0	45	-1.0	-43.91	373.27	3.62	-40.29
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171138	1	45	-1.0	-43.88	373.32	3.63	-40.25
NS(=O)(=O)C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171139	0	41	-1.0	-45.73	361.71	1.92	-43.81
NS(=O)(=O)C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171139	1	41	-1.0	-45.72	361.75	1.93	-43.79
CNS(=O)(=O)C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171140	0	44	-1.0	-45.06	384.13	3.13	-41.93
CNS(=O)(=O)C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171140	1	44	-1.0	-45.05	384.18	3.14	-41.91
O=C(CN1C=C(C(F)(F)F)C=CC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171141	0	36	-1.0	-41.72	328.03	5.70	-36.02
O=C(CN1C=C(C(F)(F)F)C=CC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171141	1	36	-1.0	-41.70	328.08	5.70	-36.00
O=C(C=CC1=CC=C(N2C=CN=C2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171142	0	41	-1.0	-43.52	351.82	9.06	-34.46
O=C(C=CC1=CC=C(N2C=CN=C2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171142	1	41	-1.0	-43.44	351.86	9.06	-34.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300020171143	0	42	-1.0	-43.86	370.46	3.33	-40.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300020171143	1	42	-1.0	-43.88	370.50	3.33	-40.55
CC1=CC=CC=C1N1C=CN=C1SCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171144	0	44	-1.0	-43.90	382.99	8.90	-35.00
CC1=CC=CC=C1N1C=CN=C1SCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171144	1	44	-1.0	-43.94	382.94	8.89	-35.05
O=C(CCC1=NC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171145	0	41	-1.0	-45.21	346.98	7.31	-37.90
O=C(CCC1=NC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171145	1	41	-1.0	-45.17	347.02	7.31	-37.86
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)C(C)=C1Cl	REAL300020171146	0	43	-1.0	-39.95	376.45	8.16	-31.79
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C(C)=C1Cl	REAL300020171146	1	43	-1.0	-39.91	376.50	8.15	-31.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(=O)COC2=C1	REAL300020171147	0	36	-1.0	-40.80	312.15	2.72	-38.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(=O)COC2=C1	REAL300020171147	1	36	-1.0	-40.55	311.19	2.71	-37.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=CC=N2)C=C1	REAL300020171148	0	37	-1.0	-41.51	319.81	6.69	-34.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=CC=N2)C=C1	REAL300020171148	1	37	-1.0	-41.52	319.77	6.69	-34.83
CC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Br)=C1	REAL300020171149	0	37	-1.0	-40.98	336.87	7.26	-33.72
CC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Br)=C1	REAL300020171149	1	37	-1.0	-40.96	336.91	7.28	-33.68
CON(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171150	0	42	-1.0	-43.80	368.62	3.45	-40.35
CON(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171150	1	42	-1.0	-43.78	368.66	3.45	-40.33
O=C(COCC1=NC2=CC=CC=C2S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171151	0	39	-1.0	-46.65	352.27	5.87	-40.78
O=C(COCC1=NC2=CC=CC=C2S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171151	1	39	-1.0	-46.66	352.31	5.88	-40.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C2OCCCOC2=C1	REAL300020171152	0	39	-1.0	-41.08	340.31	5.97	-35.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C2OCCCOC2=C1	REAL300020171152	1	39	-1.0	-41.15	340.35	5.97	-35.18
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020171153	0	50	-1.0	-39.96	389.29	6.36	-33.60
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020171153	1	50	-1.0	-41.03	390.30	6.39	-34.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(F)C=C2S1	REAL300020171154	0	33	-1.0	-41.80	307.00	6.97	-34.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(F)C=C2S1	REAL300020171154	1	33	-1.0	-41.78	307.04	6.97	-34.81
O=C(C=CC1=CC(Cl)=C2OCCCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171155	0	43	-1.0	-42.38	374.83	7.17	-35.21
O=C(C=CC1=CC(Cl)=C2OCCCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171155	1	43	-1.0	-42.34	374.88	7.17	-35.17
CCC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171156	0	40	-1.0	-40.69	338.90	8.11	-32.58
CCC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171156	1	40	-1.0	-40.52	337.92	8.08	-32.44
COC1=CC=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1OC(F)F	REAL300020171157	0	42	-1.0	-45.37	365.22	6.29	-39.08
COC1=CC=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1OC(F)F	REAL300020171157	1	42	-1.0	-45.38	365.27	6.29	-39.09
CN1CC(=O)N(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020171158	0	41	-1.0	-47.98	351.43	4.28	-43.70
CN1CC(=O)N(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020171158	1	41	-1.0	-47.96	351.48	4.29	-43.67
CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020171159	0	37	-1.0	-44.52	316.15	7.15	-37.37
CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020171159	1	37	-1.0	-44.47	316.19	7.15	-37.32
O=C(CC1=CC=C(OC(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171160	0	37	-1.0	-41.67	325.38	5.73	-35.94
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CCOC1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171183	0	43	-1.0	-40.90	357.69	7.24	-33.66
CCOC1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171183	1	43	-1.0	-40.85	357.74	7.25	-33.60
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CC1=CSC(=O)N1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171186	0	36	-1.0	-46.60	319.98	4.66	-41.94
CC1=CSC(=O)N1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171186	1	36	-1.0	-41.87	319.01	4.64	-37.23
CC(C)C1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171187	0	43	-1.0	-40.14	355.24	7.88	-32.26
CC(C)C1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171187	1	43	-1.0	-40.12	355.29	7.89	-32.23
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CC(C)(C)C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171192	0	48	-1.0	-38.93	383.73	9.28	-29.65
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CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171193	0	46	-1.0	-41.40	399.22	7.89	-33.51
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CCOC1=CC=CC=C1OCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171202	0	47	-1.0	-43.89	388.60	7.37	-36.52
CCOC1=CC=CC=C1OCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171202	1	47	-1.0	-43.89	388.64	7.38	-36.51
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O=C(CCCCC1=NC2=CC=CC=C2S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171204	0	44	-1.0	-42.93	382.19	7.95	-34.98
O=C(CCCCC1=NC2=CC=CC=C2S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171204	1	44	-1.0	-42.88	382.23	7.96	-34.92
NC(=O)NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171205	0	39	-1.0	-45.13	336.61	1.70	-43.43
NC(=O)NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171205	1	39	-1.0	-45.05	336.65	1.70	-43.35
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CC(C)(C)OC(=O)NCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171208	0	43	-1.0	-41.76	352.65	2.92	-38.84
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O=C(CC1CCS(=O)(=O)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171210	1	36	-1.0	-44.35	306.92	1.78	-42.57
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171211	0	47	-1.0	-42.37	383.42	5.71	-36.66
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171211	1	47	-1.0	-41.56	383.21	5.72	-35.84
O=C(CCCCC1CCSS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171212	0	41	-1.0	-43.53	354.74	8.70	-34.83
O=C(CCCCC1CCSS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171212	1	41	-1.0	-43.51	354.78	8.71	-34.80
CC(C)CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171213	0	45	-1.0	-39.45	367.28	8.84	-30.61
CC(C)CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171213	1	45	-1.0	-39.42	367.32	8.85	-30.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(N2CCCC2=O)=C1	REAL300020171214	0	41	-1.0	-45.89	363.30	7.63	-38.26
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(N2CCCC2=O)=C1	REAL300020171214	1	41	-1.0	-45.95	363.35	7.64	-38.31
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171215	0	47	-1.0	-46.56	383.30	5.72	-40.84
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171215	1	47	-1.0	-46.56	383.34	5.72	-40.84
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020171216	0	37	-1.0	-40.47	320.86	5.51	-34.96
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020171216	1	37	-1.0	-40.46	320.91	5.51	-34.95
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171217	0	38	-1.0	-43.64	330.48	3.47	-40.17
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171217	1	38	-1.0	-43.65	330.53	3.47	-40.18
O=C(COC1=CC=C(Cl)C2=CC=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171218	0	40	-1.0	-40.21	354.44	8.67	-31.54
O=C(COC1=CC=C(Cl)C2=CC=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171218	1	40	-1.0	-40.21	354.48	8.68	-31.53
CNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171219	0	38	-1.0	-44.45	338.05	1.66	-42.79
CNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171219	1	38	-1.0	-44.42	338.10	1.66	-42.76
O=C(CCC1=NC(C2=CC=CC=C2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171220	0	41	-1.0	-41.76	358.47	5.61	-36.15
O=C(CCC1=NC(C2=CC=CC=C2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171220	1	41	-1.0	-41.74	358.42	5.59	-36.15
COC1=CC=C(C)C=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171221	0	40	-1.0	-41.79	334.85	6.16	-35.63
COC1=CC=C(C)C=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171221	1	40	-1.0	-41.85	334.89	6.16	-35.69
O=C(CSC1CCS(=O)(=O)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171222	0	37	-1.0	-46.16	334.03	2.48	-43.68
O=C(CSC1CCS(=O)(=O)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171222	1	37	-1.0	-45.39	333.06	2.46	-42.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC(Cl)=CC=C1Cl	REAL300020171223	0	29	-1.0	-44.94	288.15	4.69	-40.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC(Cl)=CC=C1Cl	REAL300020171223	1	29	-1.0	-44.99	288.11	4.68	-40.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=NC(Cl)=C1	REAL300020171224	0	29	-1.0	-35.31	289.49	4.55	-30.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=NC(Cl)=C1	REAL300020171224	1	29	-1.0	-35.32	289.44	4.54	-30.78
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020171225	0	39	-1.0	-41.78	345.41	7.01	-34.77
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020171225	1	39	-1.0	-41.77	345.37	7.01	-34.76
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=CC=CS2)=N1	REAL300020171226	0	36	-1.0	-41.65	337.56	6.10	-35.55
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=CC=CS2)=N1	REAL300020171226	1	36	-1.0	-41.61	337.51	6.10	-35.51
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=CC=C(F)C=C2)=N1	REAL300020171227	0	39	-1.0	-39.40	350.80	7.04	-32.36
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=CC=C(F)C=C2)=N1	REAL300020171227	1	39	-1.0	-39.26	351.77	7.08	-32.18
CCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SN=N1	REAL300020171228	0	31	-1.0	-36.51	283.21	3.39	-33.12
CCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SN=N1	REAL300020171228	1	31	-1.0	-36.47	283.25	3.40	-33.07
NC(=O)COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171229	0	38	-1.0	-46.25	329.49	2.90	-43.35
NC(=O)COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171229	1	38	-1.0	-46.22	329.53	2.90	-43.32
CC1=NN(C2=CC=CC=C2)N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171230	0	39	-1.0	-45.94	338.66	5.70	-40.24
CC1=NN(C2=CC=CC=C2)N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171230	1	39	-1.0	-45.93	338.71	5.71	-40.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2=CC=CC=C2Cl)C1	REAL300020171231	0	41	-1.0	-43.45	363.71	7.43	-36.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2=CC=CC=C2Cl)C1	REAL300020171231	1	41	-1.0	-43.44	363.75	7.44	-36.00
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC2=CC=CC(F)=C21	REAL300020171232	0	36	-1.0	-43.26	319.04	7.52	-35.74
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=CC=CC(F)=C21	REAL300020171232	1	36	-1.0	-43.29	318.08	7.50	-35.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(Cl)C=C1Cl	REAL300020171233	0	30	-1.0	-36.99	296.59	6.55	-30.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(Cl)C=C1Cl	REAL300020171233	1	30	-1.0	-36.94	296.63	6.55	-30.39
COCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC2=CC=CC(F)=C21	REAL300020171234	0	40	-1.0	-45.43	352.71	6.57	-38.86
COCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=CC=CC(F)=C21	REAL300020171234	1	40	-1.0	-44.76	351.73	6.54	-38.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C=CC=CC2=N1	REAL300020171235	0	33	-1.0	-52.75	291.00	5.92	-46.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C=CC=CC2=N1	REAL300020171235	1	33	-1.0	-52.81	290.96	5.92	-46.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC([N+](=O)[O-])=CC=C2S1	REAL300020171236	0	35	-1.0	-39.52	328.64	7.55	-31.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2S1	REAL300020171236	1	35	-1.0	-39.53	328.69	7.56	-31.97
O=C(C=CC1=C(Cl)N=C2SC=CN21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171237	0	34	-1.0	-46.70	330.82	6.78	-39.92
CN1C2=C(C=CC=C2)C2=C1SC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2	REAL300020171238	0	40	-1.0	-44.44	354.63	8.52	-35.92
O=C(CN1N=C(C2=CC=CC=C2)OC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171239	0	39	-1.0	-45.96	348.63	4.04	-41.92
O=C(CN1N=C(C2=CC=CC=C2)OC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171239	1	39	-1.0	-45.96	348.59	4.03	-41.93
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171240	0	41	-1.0	-45.82	355.63	7.93	-37.89
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171240	1	41	-1.0	-45.82	355.67	7.93	-37.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2Cl)O1	REAL300020171241	0	37	-1.0	-46.94	342.11	7.80	-39.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2Cl)O1	REAL300020171241	1	37	-1.0	-46.88	342.16	7.80	-39.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300020171242	0	36	-1.0	-45.75	345.56	6.81	-38.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300020171242	1	36	-1.0	-45.78	345.51	6.81	-38.97
CC(C)N1N=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL300020171243	0	48	-1.0	-39.26	394.84	8.14	-31.12
CC(C)N1N=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL300020171243	1	48	-1.0	-39.31	395.90	8.17	-31.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC=CC=C2)=C1	REAL300020171244	0	37	-1.0	-45.26	321.65	5.41	-39.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2=CC=CC=C2)=C1	REAL300020171244	1	37	-1.0	-45.23	321.69	5.41	-39.82
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(OC)=C1	REAL300020171245	0	42	-1.0	-43.23	354.95	5.27	-37.96
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(OC)=C1	REAL300020171245	1	42	-1.0	-43.17	354.99	5.28	-37.89
O=C(CN1CCSC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171246	0	32	-1.0	-43.32	290.02	3.52	-39.80
O=C(CN1CCSC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171246	1	32	-1.0	-43.34	290.07	3.53	-39.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCCC2)S1	REAL300020171247	0	40	-1.0	-41.53	334.55	7.71	-33.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCCC2)S1	REAL300020171247	1	40	-1.0	-41.47	334.59	7.72	-33.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2)S1	REAL300020171248	0	37	-1.0	-41.55	317.26	7.11	-34.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2)S1	REAL300020171248	1	37	-1.0	-41.52	317.30	7.11	-34.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCC2)S1	REAL300020171249	0	34	-1.0	-41.82	299.52	6.51	-35.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCC2)S1	REAL300020171249	1	34	-1.0	-41.82	299.56	6.51	-35.31
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CC=C(C)C=C1	REAL300020171250	0	51	-1.0	-44.98	425.48	11.38	-33.60
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CC=C(C)C=C1	REAL300020171250	1	51	-1.0	-44.94	425.52	11.38	-33.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=C(F)C=C2)S1	REAL300020171251	0	37	-1.0	-42.50	338.01	8.23	-34.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=C(F)C=C2)S1	REAL300020171251	1	37	-1.0	-42.40	338.05	8.24	-34.16
CCCCC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171252	0	45	-1.0	-39.44	372.02	9.15	-30.29
CCCCC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171252	1	45	-1.0	-39.45	372.07	9.17	-30.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1	REAL300020171253	0	38	-1.0	-43.31	337.20	9.08	-34.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1	REAL300020171253	1	38	-1.0	-43.47	337.28	9.09	-34.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2CCS(=O)(=O)N=C2C=C1	REAL300020171254	0	38	-1.0	-51.49	333.43	2.86	-48.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2CCS(=O)(=O)N=C2C=C1	REAL300020171254	1	38	-1.0	-51.49	333.47	2.87	-48.62
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL300020171255	0	48	-1.0	-45.35	404.15	10.71	-34.64
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL300020171255	1	48	-1.0	-45.33	404.19	10.71	-34.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CC=CC=C2N=C1	REAL300020171256	0	34	-1.0	-45.54	300.04	3.96	-41.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CC=CC=C2N=C1	REAL300020171256	1	34	-1.0	-45.57	299.99	3.96	-41.61
O=C(CC12CC3CC(CC(O)(C3)C1)C2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171257	0	48	-1.0	-38.90	351.80	4.71	-34.19
O=C(CC12CC3CC(CC(O)(C3)C1)C2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171257	1	48	-1.0	-38.87	351.84	4.71	-34.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(SC(F)(F)F)C=C1	REAL300020171258	0	34	-1.0	-39.18	317.71	6.93	-32.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(SC(F)(F)F)C=C1	REAL300020171258	1	34	-1.0	-39.16	317.76	6.93	-32.23
COC1=CC=C2OC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(C)C2=C1	REAL300020171259	0	40	-1.0	-44.74	340.03	5.84	-38.90
COC1=CC=C2OC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(C)C2=C1	REAL300020171259	1	40	-1.0	-44.74	340.08	5.85	-38.89
CC(=O)CCC1=CC=C2OC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(C)C2=C1	REAL300020171260	0	47	-1.0	-48.50	397.93	8.70	-39.80
CC(=O)CCC1=CC=C2OC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(C)C2=C1	REAL300020171260	1	47	-1.0	-47.74	396.97	8.67	-39.07
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=CC=C(Br)C=C21	REAL300020171261	0	36	-1.0	-42.08	331.76	7.18	-34.90
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=CC=C(Br)C=C21	REAL300020171261	1	36	-1.0	-41.95	330.79	7.16	-34.79
CCOC1=CC=C2OC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(C)C2=C1	REAL300020171262	0	43	-1.0	-44.45	361.89	6.78	-37.67
CCOC1=CC=C2OC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(C)C2=C1	REAL300020171262	1	43	-1.0	-44.40	361.93	6.77	-37.63
COCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=CC=CC=C21	REAL300020171263	0	40	-1.0	-47.06	344.15	5.62	-41.44
COCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=CC=CC=C21	REAL300020171263	1	40	-1.0	-47.76	343.17	5.60	-42.16
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=CC=C(F)C=C21	REAL300020171264	0	36	-1.0	-42.08	316.98	6.62	-35.46
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=CC=C(F)C=C21	REAL300020171264	1	36	-1.0	-41.96	316.01	6.61	-35.35
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=C(F)C=CC=C12	REAL300020171265	0	36	-1.0	-50.32	316.91	6.61	-43.71
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=C(F)C=CC=C12	REAL300020171265	1	36	-1.0	-50.13	315.94	6.61	-43.52
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=CC=C(Cl)C=C21	REAL300020171266	0	36	-1.0	-42.21	327.20	7.07	-35.14
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=CC=C(Cl)C=C21	REAL300020171266	1	36	-1.0	-42.07	326.23	7.06	-35.01
CC(C)(C)OC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020171267	0	50	-1.0	-46.65	389.05	6.33	-40.32
CC(C)(C)OC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020171267	1	50	-1.0	-46.61	389.10	6.33	-40.28
CCC1=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020171268	0	43	-1.0	-43.15	369.54	8.77	-34.38
CCC1=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020171268	1	43	-1.0	-43.11	369.58	8.77	-34.34
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171269	0	43	-1.0	-42.61	365.40	8.13	-34.48
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171269	1	43	-1.0	-42.60	365.35	8.13	-34.47
O=C(CCCC1=CC=C(Br)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171270	0	36	-1.0	-38.48	340.92	7.55	-30.93
O=C(CCCC1=CC=C(Br)S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171270	1	36	-1.0	-38.48	340.97	7.56	-30.92
CC(C)(C)OC(=O)NCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171271	0	46	-1.0	-41.79	374.15	3.72	-38.07
CC(C)(C)OC(=O)NCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171271	1	46	-1.0	-41.78	374.19	3.72	-38.06
O=C(CCSC1=NC2=CC=CC=C2S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171272	0	39	-1.0	-42.90	361.55	7.11	-35.79
O=C(CCSC1=NC2=CC=CC=C2S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171272	1	39	-1.0	-42.89	361.51	7.09	-35.80
CC(=O)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=CC=CC=C21	REAL300020171273	0	42	-1.0	-37.65	347.30	6.07	-31.58
CC(=O)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=CC=CC=C21	REAL300020171273	1	42	-1.0	-37.65	347.35	6.07	-31.58
COC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171274	0	41	-1.0	-53.08	353.21	6.09	-46.99
COC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171274	1	41	-1.0	-53.16	353.16	6.09	-47.07
CC(C)(C)C1=CC=CC=C1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171275	0	46	-1.0	-40.11	366.21	8.47	-31.64
CC(C)(C)C1=CC=CC=C1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171275	1	46	-1.0	-40.12	366.26	8.49	-31.63
CC1=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020171276	0	33	-1.0	-43.46	294.87	2.90	-40.56
CC1=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020171276	1	33	-1.0	-43.54	294.92	2.91	-40.63
COC1=CC=C(OC)C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171277	0	41	-1.0	-43.54	342.93	4.77	-38.77
COC1=CC=C(OC)C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171277	1	41	-1.0	-43.52	342.97	4.77	-38.75
CC1(C)NC(=O)N(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020171278	0	44	-1.0	-46.03	370.95	3.27	-42.76
CC1(C)NC(=O)N(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020171278	1	44	-1.0	-46.00	370.99	3.28	-42.72
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=CC=C2)C=C1	REAL300020171279	0	38	-1.0	-40.30	322.21	8.25	-32.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=CC=C2)C=C1	REAL300020171279	1	38	-1.0	-40.31	322.26	8.27	-32.04
O=C(CN1C=CC(=O)NC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171280	0	33	-1.0	-43.13	294.00	1.99	-41.14
O=C(CN1C=CC(=O)NC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171280	1	33	-1.0	-43.16	294.04	1.99	-41.17
CC1=CC=C(C2=NC(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)C=C1	REAL300020171281	0	42	-1.0	-43.28	370.22	7.78	-35.50
CC1=CC=C(C2=NC(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)C=C1	REAL300020171281	1	42	-1.0	-43.25	370.17	7.77	-35.48
CC1=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C(C#N)C(=O)N1	REAL300020171282	0	43	-1.0	-49.65	363.94	5.08	-44.57
CC1=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C(C#N)C(=O)N1	REAL300020171282	1	43	-1.0	-49.66	363.98	5.08	-44.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C2=C(SC=C2)S1	REAL300020171283	0	30	-1.0	-40.70	304.50	6.46	-34.24
CC1=CC=CC(C2=NC(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)=C1	REAL300020171284	0	42	-1.0	-43.26	370.24	7.76	-35.50
CC1=CC=CC(C2=NC(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)=C1	REAL300020171284	1	42	-1.0	-43.28	370.20	7.76	-35.52
O=C(CN1C=NC2=C(OC3=CC=CC=C32)C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171285	0	41	-1.0	-55.93	358.61	7.13	-48.80
O=C(CN1C=NC2=C(OC3=CC=CC=C32)C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171285	1	41	-1.0	-55.89	358.57	7.13	-48.76
COC1=CC(OC)=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171286	0	44	-1.0	-41.96	366.52	5.57	-36.39
COC1=CC(OC)=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171286	1	44	-1.0	-41.97	366.57	5.58	-36.39
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020171287	0	37	-1.0	-40.58	311.03	5.52	-35.06
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C	REAL300020171287	1	37	-1.0	-40.59	311.07	5.52	-35.07
O=C(COC1=CC=C(N2CCCC2=O)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171288	0	45	-1.0	-49.17	373.27	7.07	-42.10
O=C(COC1=CC=C(N2CCCC2=O)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171288	1	45	-1.0	-49.12	373.32	7.07	-42.05
O=C(CCC1=CC=C(C2=CC=CC=C2F)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171289	0	43	-1.0	-45.31	376.20	8.95	-36.36
O=C(CCC1=CC=C(C2=CC=CC=C2F)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171289	1	43	-1.0	-45.30	376.24	8.96	-36.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1COC2=CC=CC=C2C1	REAL300020171290	0	38	-1.0	-39.29	315.25	5.99	-33.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1COC2=CC=CC=C2C1	REAL300020171290	1	38	-1.0	-39.24	315.30	5.99	-33.25
CC(=O)C1=C(C)OC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171291	0	41	-1.0	-42.32	352.24	6.49	-35.83
CC(=O)C1=C(C)OC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171291	1	41	-1.0	-42.31	352.28	6.50	-35.81
CC1=NN(C)C(C)=C1C(=O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171292	0	38	-1.0	-46.82	331.93	4.17	-42.65
CC1=NN(C)C(C)=C1C(=O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171292	1	38	-1.0	-44.83	330.97	4.16	-40.67
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1COC2=CC=C(Cl)C=C2C1	REAL300020171293	0	38	-1.0	-37.77	332.66	6.49	-31.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1COC2=CC=C(Cl)C=C2C1	REAL300020171293	1	38	-1.0	-37.71	332.70	6.50	-31.21
CC1=NC(C2=CNC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=CS1	REAL300020171294	0	37	-1.0	-43.62	335.88	4.69	-38.93
CC1=NC(C2=CNC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=CS1	REAL300020171294	1	37	-1.0	-43.62	335.92	4.69	-38.93
CC1=NN(CC(C)C)C(C)=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171295	0	51	-1.0	-42.39	410.04	8.11	-34.28
CC1=NN(CC(C)C)C(C)=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171295	1	51	-1.0	-42.41	410.08	8.12	-34.29
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300020171296	0	39	-1.0	-39.12	362.14	7.53	-31.59
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300020171296	1	39	-1.0	-39.12	362.10	7.53	-31.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C(=O)N1	REAL300020171297	0	36	-1.0	-46.64	312.52	4.78	-41.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C(=O)N1	REAL300020171297	1	36	-1.0	-46.60	312.57	4.78	-41.82
O=C(CCC1=NC2=CC=CC=C2N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171298	0	39	-1.0	-45.40	333.77	5.66	-39.74
O=C(CCC1=NC2=CC=CC=C2N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171298	1	39	-1.0	-45.37	333.82	5.67	-39.70
CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171299	0	42	-1.0	-44.52	352.50	7.72	-36.80
CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171299	1	42	-1.0	-44.52	352.55	7.72	-36.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(S1)C1=C(C=CC=C1)S2	REAL300020171300	0	36	-1.0	-42.48	338.20	8.39	-34.09
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(S1)C1=C(C=CC=C1)S2	REAL300020171300	1	36	-1.0	-42.50	337.23	8.37	-34.13
O=C(CCC1=NC(C2=CSC=C2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171301	0	38	-1.0	-41.35	348.68	4.49	-36.86
O=C(CCC1=NC(C2=CSC=C2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171301	1	38	-1.0	-41.39	348.63	4.48	-36.91
CC(=O)C1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)O2)C=C1	REAL300020171302	0	42	-1.0	-52.99	365.48	7.62	-45.37
CC(=O)C1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)O2)C=C1	REAL300020171302	1	42	-1.0	-52.97	365.52	7.62	-45.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300020171303	0	39	-1.0	-52.70	358.53	6.77	-45.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300020171303	1	39	-1.0	-52.71	358.49	6.77	-45.94
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=C1C=CC1=C2C=CC=C1	REAL300020171304	0	42	-1.0	-49.30	356.48	8.82	-40.48
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=C1C=CC1=C2C=CC=C1	REAL300020171304	1	42	-1.0	-49.33	356.53	8.83	-40.50
CN(C)C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171305	0	44	-1.0	-40.44	359.04	7.37	-33.07
CN(C)C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171305	1	44	-1.0	-40.38	359.08	7.38	-33.00
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=CC=CC=C21	REAL300020171306	0	36	-1.0	-46.42	310.48	6.57	-39.85
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=CC=CC=C21	REAL300020171306	1	36	-1.0	-46.25	309.52	6.54	-39.71
CCOC1=CC=CC=C1C(=O)NCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171307	0	50	-1.0	-48.29	413.28	6.88	-41.41
CCOC1=CC=CC=C1C(=O)NCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171307	1	50	-1.0	-48.28	413.33	6.88	-41.40
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171308	0	46	-1.0	-43.85	381.43	8.23	-35.62
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171308	1	46	-1.0	-43.81	381.50	8.23	-35.58
CCOC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171309	0	41	-1.0	-41.72	350.14	4.64	-37.08
CCOC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171309	1	41	-1.0	-41.75	350.18	4.64	-37.11
CC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020171310	0	40	-1.0	-51.32	321.65	4.48	-46.84
CC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020171310	1	40	-1.0	-51.28	321.69	4.49	-46.79
CCS(=O)(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020171311	0	44	-1.0	-42.08	363.84	3.03	-39.05
CCS(=O)(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020171311	1	44	-1.0	-42.09	363.88	3.03	-39.06
O=C(CC1=CSC(N2CCCC2=O)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171312	0	40	-1.0	-56.85	353.16	5.58	-51.27
O=C(CC1=CSC(N2CCCC2=O)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171312	1	40	-1.0	-56.85	353.21	5.58	-51.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCN(C(=O)NC2=CC=CC=C2)C1	REAL300020171313	0	49	-1.0	-52.01	389.00	6.86	-45.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCN(C(=O)NC2=CC=CC=C2)C1	REAL300020171313	1	49	-1.0	-51.99	389.04	6.86	-45.13
CON(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171314	0	42	-1.0	-43.41	368.59	3.45	-39.96
CON(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171314	1	42	-1.0	-43.31	368.64	3.46	-39.85
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171315	0	39	-1.0	-40.34	357.35	6.96	-33.38
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171315	1	39	-1.0	-40.31	357.39	6.97	-33.34
O=C(CCC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171316	0	48	-1.0	-43.55	401.73	10.19	-33.36
O=C(CCC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171316	1	48	-1.0	-43.56	401.78	10.20	-33.36
CC1=CC2=CC=CC=C2N1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171317	0	40	-1.0	-40.44	337.37	8.05	-32.39
CC1=CC2=CC=CC=C2N1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171317	1	40	-1.0	-40.38	337.41	8.04	-32.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL300020171318	0	33	-1.0	-44.61	288.69	1.04	-43.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL300020171318	1	33	-1.0	-44.63	288.73	1.04	-43.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)N=C1CCCN1C2=O	REAL300020171319	0	42	-1.0	-47.98	353.38	6.78	-41.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)N=C1CCCN1C2=O	REAL300020171319	1	42	-1.0	-47.91	353.43	6.78	-41.13
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171320	0	47	-1.0	-45.22	393.50	8.85	-36.37
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171320	1	47	-1.0	-45.17	393.52	8.85	-36.32
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC2=C1C(=O)N1CCCC1=N2	REAL300020171321	0	42	-1.0	-49.52	359.35	6.62	-42.90
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=C1C(=O)N1CCCC1=N2	REAL300020171321	1	42	-1.0	-49.47	359.39	6.62	-42.85
O=C(CC1=CSC(C2=CC=CC=C2Cl)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171322	0	39	-1.0	-43.72	359.17	7.39	-36.33
O=C(CC1=CSC(C2=CC=CC=C2Cl)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171322	1	39	-1.0	-43.70	359.12	7.39	-36.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(N2CCCC2)=CC=N1	REAL300020171323	0	41	-1.0	-44.99	331.87	4.16	-40.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(N2CCCC2)=CC=N1	REAL300020171323	1	41	-1.0	-45.01	331.82	4.16	-40.85
CC1=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2N=C1C	REAL300020171324	0	40	-1.0	-44.18	336.30	5.04	-39.14
CC1=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2N=C1C	REAL300020171324	1	40	-1.0	-44.16	336.35	5.03	-39.13
O=C(CC1=CSC(C2=CC=CN=C2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171325	0	38	-1.0	-47.41	343.85	5.33	-42.08
O=C(CC1=CSC(C2=CC=CN=C2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171325	1	38	-1.0	-47.40	343.81	5.33	-42.07
O=C(CC1=CSC(C2=CC=CS2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171326	0	36	-1.0	-43.50	340.44	6.12	-37.38
O=C(CC1=CSC(C2=CC=CS2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171326	1	36	-1.0	-43.53	340.40	6.12	-37.41
CCC1=CC=C(C2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)C=C1	REAL300020171327	0	42	-1.0	-48.04	370.69	7.72	-40.32
CCC1=CC=C(C2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)C=C1	REAL300020171327	1	42	-1.0	-48.08	370.65	7.71	-40.37
O=C(CCN1C=NC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171328	0	39	-1.0	-42.03	334.91	7.74	-34.29
O=C(CCN1C=NC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171328	1	39	-1.0	-42.06	334.87	7.73	-34.33
O=C(CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171329	0	41	-1.0	-48.78	359.81	5.58	-43.20
O=C(CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171329	1	41	-1.0	-48.76	359.86	5.59	-43.17
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2=CC=CC=C2O1	REAL300020171330	0	35	-1.0	-41.14	299.74	6.25	-34.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2=CC=CC=C2O1	REAL300020171330	1	35	-1.0	-40.65	300.82	6.27	-34.38
O=C(CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171331	0	41	-1.0	-39.53	375.19	6.13	-33.40
O=C(CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171331	1	41	-1.0	-39.52	375.15	6.11	-33.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCN(C2=CN=CC=N2)C1	REAL300020171332	0	43	-1.0	-43.57	347.51	4.12	-39.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCN(C2=CN=CC=N2)C1	REAL300020171332	1	43	-1.0	-43.61	347.46	4.11	-39.50
O=C(CN1C=C(Br)C(=O)NC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171333	0	33	-1.0	-40.97	314.60	2.61	-38.36
O=C(CN1C=C(Br)C(=O)NC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171333	1	33	-1.0	-40.98	314.65	2.61	-38.37
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC2=C1C(=O)N(C)C=N2	REAL300020171334	0	38	-1.0	-49.75	333.90	6.00	-43.75
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=C1C(=O)N(C)C=N2	REAL300020171334	1	38	-1.0	-49.78	332.94	5.97	-43.81
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171335	0	41	-1.0	-42.63	359.06	2.92	-39.71
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171335	1	41	-1.0	-42.57	359.11	2.94	-39.63
CC1=NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1C1=CC=CC=C1	REAL300020171336	0	46	-1.0	-45.13	388.64	9.96	-35.17
CC1=NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1C1=CC=CC=C1	REAL300020171336	1	46	-1.0	-45.11	388.68	9.97	-35.14
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171337	0	39	-1.0	-50.89	350.18	1.83	-49.06
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171337	1	39	-1.0	-50.85	350.23	1.84	-49.01
COC(=O)C1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC(C(C)=O)=C1C	REAL300020171338	0	45	-1.0	-44.87	386.57	5.67	-39.20
COC(=O)C1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC(C(C)=O)=C1C	REAL300020171338	1	45	-1.0	-44.90	386.61	5.67	-39.23
O=C(CCN1C(=O)CCC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171339	0	36	-1.0	-47.30	311.85	3.59	-43.71
O=C(CCN1C(=O)CCC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171339	1	36	-1.0	-47.25	311.89	3.59	-43.66
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171340	0	50	-1.0	-42.66	409.39	5.94	-36.72
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171340	1	50	-1.0	-42.62	409.44	5.94	-36.68
CC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020171341	0	32	-1.0	-39.06	296.46	5.04	-34.02
CC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020171341	1	32	-1.0	-39.04	296.51	5.04	-34.00
O=C(CCC(=O)C1=CC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171342	0	44	-1.0	-43.88	373.78	9.05	-34.83
O=C(CCC(=O)C1=CC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171342	1	44	-1.0	-43.83	373.82	9.06	-34.77
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171343	0	45	-1.0	-44.59	367.55	9.17	-35.42
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171343	1	45	-1.0	-44.56	367.61	9.17	-35.39
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171344	0	47	-1.0	-45.34	372.92	8.78	-36.56
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171344	1	47	-1.0	-45.37	372.97	8.80	-36.57
O=C(CCN1CCSC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171345	0	35	-1.0	-43.62	311.05	3.90	-39.72
O=C(CCN1CCSC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171345	1	35	-1.0	-43.60	311.10	3.91	-39.69
O=C(CN1C2=CC=CC=C2OCCC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171346	0	42	-1.0	-49.86	350.98	5.61	-44.25
O=C(CN1C2=CC=CC=C2OCCC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171346	1	42	-1.0	-49.81	351.02	5.62	-44.19
CN1CC(=O)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020171347	0	35	-1.0	-48.11	307.89	3.06	-45.05
CN1CC(=O)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020171347	1	35	-1.0	-48.07	307.94	3.05	-45.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1Br	REAL300020171348	0	30	-1.0	-40.36	284.17	6.17	-34.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1Br	REAL300020171348	1	30	-1.0	-40.38	284.21	6.17	-34.21
CC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020171349	0	44	-1.0	-43.16	366.11	7.99	-35.17
CC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020171349	1	44	-1.0	-43.13	366.15	8.00	-35.13
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OCC(N)=O	REAL300020171350	0	42	-1.0	-48.13	358.70	2.64	-45.49
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OCC(N)=O	REAL300020171350	1	42	-1.0	-48.09	358.74	2.65	-45.44
O=C(CN1C(=O)C=NC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171351	0	38	-1.0	-46.84	327.58	4.88	-41.96
O=C(CN1C(=O)C=NC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171351	1	38	-1.0	-46.88	327.53	4.89	-41.99
O=C(CN1CSCC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171352	0	32	-1.0	-41.19	290.40	3.53	-37.66
O=C(CN1CSCC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171352	1	32	-1.0	-41.16	290.45	3.55	-37.61
O=C(CN1C=NC2=C(C=CS2)C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171353	0	35	-1.0	-44.62	321.37	5.73	-38.89
O=C(CN1C=NC2=C(C=CS2)C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171353	1	35	-1.0	-44.59	321.33	5.73	-38.86
O=C(CCN1C=CC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171354	0	40	-1.0	-39.81	340.33	8.15	-31.66
O=C(CCN1C=CC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171354	1	40	-1.0	-39.73	340.38	8.16	-31.57
O=C(CC1=NOC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171355	0	35	-1.0	-45.26	308.48	5.46	-39.80
O=C(CC1=NOC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171355	1	35	-1.0	-45.25	308.53	5.46	-39.79
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171356	0	43	-1.0	-40.49	369.78	1.42	-39.07
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171356	1	43	-1.0	-40.47	369.82	1.42	-39.05
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171357	0	43	-1.0	-42.56	370.86	6.56	-36.00
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171357	1	43	-1.0	-42.58	370.91	6.56	-36.02
CCC1=C(C)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020171358	0	36	-1.0	-41.53	315.28	6.62	-34.91
CCC1=C(C)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020171358	1	36	-1.0	-41.56	315.32	6.62	-34.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCCCC2)S1	REAL300020171359	0	43	-1.0	-42.05	342.82	7.99	-34.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCCCC2)S1	REAL300020171359	1	43	-1.0	-42.00	342.85	7.99	-34.01
CCCC1=C(CC)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020171360	0	42	-1.0	-41.08	356.53	8.09	-32.99
CCCC1=C(CC)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020171360	1	42	-1.0	-41.08	356.56	8.09	-32.99
CC(C)(C)C1CCC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)S2)C1	REAL300020171361	0	49	-1.0	-40.95	386.35	9.15	-31.80
CC(C)(C)C1CCC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)C1	REAL300020171361	1	49	-1.0	-40.93	386.39	9.16	-31.77
CC1CCC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)S2)C1	REAL300020171362	0	40	-1.0	-41.14	338.06	7.71	-33.43
CC1CCC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)C1	REAL300020171362	1	40	-1.0	-41.29	337.09	7.68	-33.61
CCCC1=C(C)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171363	0	39	-1.0	-41.26	335.83	7.32	-33.94
CCCC1=C(C)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171363	1	39	-1.0	-41.23	335.87	7.33	-33.90
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300020171364	0	32	-1.0	-35.44	302.20	6.66	-28.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300020171364	1	32	-1.0	-35.42	302.24	6.67	-28.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C2=CC=CC=C2S1	REAL300020171365	0	33	-1.0	-43.02	313.24	7.40	-35.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C2=CC=CC=C2S1	REAL300020171365	1	33	-1.0	-42.94	313.29	7.40	-35.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C2=CC=C(Cl)C=C2S1	REAL300020171366	0	33	-1.0	-39.60	329.96	7.90	-31.70
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C2=CC=C(Cl)C=C2S1	REAL300020171366	1	33	-1.0	-39.58	330.00	7.90	-31.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C2=CC=C(F)C=C2S1	REAL300020171367	0	33	-1.0	-39.87	319.64	7.46	-32.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C2=CC=C(F)C=C2S1	REAL300020171367	1	33	-1.0	-39.85	319.68	7.47	-32.38
CCCCN1N=C(C)C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020171368	0	46	-1.0	-41.42	402.42	7.89	-33.53
CCCCN1N=C(C)C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020171368	1	46	-1.0	-41.38	402.45	7.89	-33.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020171369	0	40	-1.0	-44.35	348.00	7.10	-37.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020171369	1	40	-1.0	-44.32	347.96	7.09	-37.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020171370	0	37	-1.0	-43.54	322.52	6.62	-36.92
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020171370	1	37	-1.0	-43.54	322.48	6.62	-36.92
CN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020171371	0	33	-1.0	-36.74	293.96	6.39	-30.35
CN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020171371	1	33	-1.0	-36.73	294.02	6.41	-30.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=CC([N+](=O)[O-])=CC=C12	REAL300020171372	0	36	-1.0	-39.79	321.03	6.11	-33.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=CC([N+](=O)[O-])=CC=C12	REAL300020171372	1	36	-1.0	-39.78	321.07	6.11	-33.67
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(Cl)=C1	REAL300020171373	0	29	-1.0	-39.34	273.60	4.14	-35.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(Cl)=C1	REAL300020171373	1	29	-1.0	-39.37	273.56	4.14	-35.23
CC1=C(C)C2=C(N=CN(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=O)S1	REAL300020171374	0	41	-1.0	-49.52	359.13	7.16	-42.36
CC1=C(C)C2=C(N=CN(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=O)S1	REAL300020171374	1	41	-1.0	-49.53	359.18	7.14	-42.39
COC1=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020171375	0	40	-1.0	-40.42	334.71	6.18	-34.24
COC1=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C	REAL300020171375	1	40	-1.0	-40.40	334.76	6.18	-34.22
CSC1=CC=CC(N2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)=C1	REAL300020171376	0	45	-1.0	-46.14	380.46	7.50	-38.64
CSC1=CC=CC(N2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=O)=C1	REAL300020171376	1	45	-1.0	-46.14	380.51	7.51	-38.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2=CC=CC=C2C(=O)O1	REAL300020171377	0	37	-1.0	-43.79	320.43	7.08	-36.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2=CC=CC=C2C(=O)O1	REAL300020171377	1	37	-1.0	-43.74	320.47	7.09	-36.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2CCCC2)C1	REAL300020171378	0	44	-1.0	-42.36	348.40	5.81	-36.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2CCCC2)C1	REAL300020171378	1	44	-1.0	-42.36	348.45	5.81	-36.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NNN=C2C=C1	REAL300020171379	0	32	-1.0	-39.52	281.31	2.76	-36.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NNN=C2C=C1	REAL300020171379	1	32	-1.0	-39.48	281.36	2.76	-36.72
CS(=O)(=O)NCCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171380	0	44	-1.0	-48.86	382.92	3.08	-45.78
CS(=O)(=O)NCCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171380	1	44	-1.0	-48.86	382.96	3.08	-45.78
CC1=C(C)C=C2C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=COC2=C1	REAL300020171381	0	42	-1.0	-42.17	351.36	7.70	-34.47
CC1=C(C)C=C2C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=COC2=C1	REAL300020171381	1	42	-1.0	-42.14	351.40	7.70	-34.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(S1)C1=CC=CC=C1CC2	REAL300020171382	0	41	-1.0	-44.61	355.51	9.26	-35.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(S1)C1=CC=CC=C1CC2	REAL300020171382	1	41	-1.0	-44.56	355.56	9.26	-35.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(S1)C1=CC=CC=C1OC2	REAL300020171383	0	39	-1.0	-43.92	346.85	7.43	-36.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(S1)C1=CC=CC=C1OC2	REAL300020171383	1	39	-1.0	-43.93	346.89	7.43	-36.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(S(=O)(=O)C(F)F)C=C1	REAL300020171384	0	36	-1.0	-44.87	335.33	3.43	-41.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(S(=O)(=O)C(F)F)C=C1	REAL300020171384	1	36	-1.0	-44.75	335.37	3.43	-41.32
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL300020171385	0	39	-1.0	-47.96	339.71	4.75	-43.21
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL300020171385	1	39	-1.0	-48.01	339.67	4.74	-43.27
O=C(CCCC1=NC(=O)C2=CC=CC=C2N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171386	0	44	-1.0	-59.18	373.53	5.75	-53.43
O=C(CCCC1=NC(=O)C2=CC=CC=C2N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171386	1	44	-1.0	-59.10	373.57	5.76	-53.34
CS(=O)(=O)NCCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020171387	0	41	-1.0	-46.85	375.49	2.23	-44.62
CS(=O)(=O)NCCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020171387	1	41	-1.0	-46.84	375.54	2.23	-44.61
CC1=NN(C)C(C)=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171388	0	42	-1.0	-43.18	348.39	5.69	-37.49
CC1=NN(C)C(C)=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171388	1	42	-1.0	-43.12	348.43	5.70	-37.42
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171389	0	45	-1.0	-45.57	365.44	4.21	-41.36
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171389	1	45	-1.0	-45.53	365.48	4.21	-41.32
CC1(C2=CC=CC=C2)NC(=O)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020171390	0	45	-1.0	-46.61	380.26	5.20	-41.41
CC1(C2=CC=CC=C2)NC(=O)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020171390	1	45	-1.0	-46.61	380.30	5.19	-41.42
CC1(C2CC2)NC(=O)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020171391	0	42	-1.0	-45.50	354.84	4.10	-41.40
CC1(C2CC2)NC(=O)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020171391	1	42	-1.0	-45.48	354.88	4.11	-41.37
CC1CC1C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020171392	0	41	-1.0	-41.23	347.72	7.80	-33.43
CC1CC1C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020171392	1	41	-1.0	-41.22	347.76	7.81	-33.41
COC1=CC(C#N)=CC=C1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171393	0	39	-1.0	-43.04	345.08	6.10	-36.94
COC1=CC(C#N)=CC=C1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171393	1	39	-1.0	-42.98	345.12	6.12	-36.86
CC1=CC=CC2=C1N=CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2=O	REAL300020171394	0	41	-1.0	-44.83	350.96	7.48	-37.35
CC1=CC=CC2=C1N=CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2=O	REAL300020171394	1	41	-1.0	-44.83	350.91	7.47	-37.36
CCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020171395	0	40	-1.0	-44.46	338.15	8.07	-36.39
CCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020171395	1	40	-1.0	-44.41	338.19	8.07	-36.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12	REAL300020171396	0	47	-1.0	-45.86	395.81	10.98	-34.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12	REAL300020171396	1	47	-1.0	-45.82	395.85	10.99	-34.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=C(F)C=C2)C=C1	REAL300020171397	0	41	-1.0	-39.39	356.62	8.40	-30.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)C=C1	REAL300020171397	1	41	-1.0	-39.34	356.66	8.41	-30.93
CC1=NC(COC2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=CS1	REAL300020171398	0	43	-1.0	-42.75	377.80	6.57	-36.18
CC1=NC(COC2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=CS1	REAL300020171398	1	43	-1.0	-42.75	377.84	6.58	-36.17
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171399	0	42	-1.0	-40.16	349.39	8.00	-32.16
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171399	1	42	-1.0	-40.15	349.35	8.00	-32.15
CC1CC1C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020171400	0	43	-1.0	-40.43	359.37	8.14	-32.29
CC1CC1C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020171400	1	43	-1.0	-40.40	359.40	8.14	-32.26
O=C(CCN1N=NC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171401	0	40	-1.0	-45.48	348.02	4.28	-41.20
O=C(CCN1N=NC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171401	1	40	-1.0	-45.49	348.06	4.28	-41.21
O=C(CC1=COC(C2=CC=CC=C2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171402	0	39	-1.0	-47.26	341.00	4.74	-42.52
O=C(CC1=COC(C2=CC=CC=C2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171402	1	39	-1.0	-47.22	340.96	4.74	-42.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2)=C1	REAL300020171403	0	36	-1.0	-45.14	320.19	6.52	-38.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=CC=C2)=C1	REAL300020171403	1	36	-1.0	-45.12	320.15	6.51	-38.61
CC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=C(F)C=C1	REAL300020171404	0	39	-1.0	-48.85	342.18	7.01	-41.84
CC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=C(F)C=C1	REAL300020171404	1	39	-1.0	-48.89	342.22	7.02	-41.87
CC(=O)N1CCC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020171405	0	41	-1.0	-41.89	337.99	6.38	-35.51
CC(=O)N1CCC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020171405	1	41	-1.0	-41.88	338.04	6.39	-35.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300020171406	0	42	-1.0	-57.56	357.84	3.99	-53.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300020171406	1	42	-1.0	-57.48	357.89	3.99	-53.49
O=C(CN1N=NC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171407	0	37	-1.0	-49.18	326.99	3.77	-45.41
O=C(CN1N=NC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171407	1	37	-1.0	-49.16	327.03	3.76	-45.40
COC1=CC=C(C2=NC(C)=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)C=C1	REAL300020171408	0	43	-1.0	-41.85	374.83	6.32	-35.53
COC1=CC=C(C2=NC(C)=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)S2)C=C1	REAL300020171408	1	43	-1.0	-41.89	374.79	6.32	-35.57
NC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020171409	0	39	-1.0	-51.20	315.35	1.93	-49.27
NC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020171409	1	39	-1.0	-51.19	315.39	1.95	-49.24
CSCC1=NC2=CC=CC=C2N1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171410	0	43	-1.0	-43.42	376.97	8.02	-35.40
CSCC1=NC2=CC=CC=C2N1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171410	1	43	-1.0	-43.39	377.01	8.02	-35.37
CN1C2=C(C(=O)N(C)C1=O)N(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C=N2	REAL300020171411	0	45	-1.0	-44.03	381.64	6.80	-37.23
CN1C2=C(C(=O)N(C)C1=O)N(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C=N2	REAL300020171411	1	45	-1.0	-44.05	381.69	6.81	-37.24
CC1CCC2(CC1)NC(=O)N(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2=O	REAL300020171412	0	48	-1.0	-46.55	381.50	4.47	-42.08
CC1CCC2(CC1)NC(=O)N(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2=O	REAL300020171412	1	48	-1.0	-46.51	381.54	4.47	-42.04
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(Cl)C=CC=C2S1	REAL300020171413	0	33	-1.0	-42.41	316.47	7.36	-35.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(Cl)C=CC=C2S1	REAL300020171413	1	33	-1.0	-42.37	316.51	7.36	-35.01
CCCN1C(=O)N(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020171414	0	49	-1.0	-49.16	410.04	9.04	-40.12
CCCN1C(=O)N(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020171414	1	49	-1.0	-49.13	410.09	9.05	-40.08
CC1=CC=C(C2=NN(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=N2)C=C1	REAL300020171415	0	41	-1.0	-42.89	358.19	5.83	-37.06
CC1=CC=C(C2=NN(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=N2)C=C1	REAL300020171415	1	41	-1.0	-42.92	358.24	5.82	-37.10
O=C(CCC1=NC(C2=CC=CS2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171416	0	38	-1.0	-41.53	349.37	4.61	-36.92
O=C(CCC1=NC(C2=CC=CS2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171416	1	38	-1.0	-41.57	349.33	4.60	-36.97
COC1=CC=C(Cl)C=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171417	0	37	-1.0	-40.82	330.17	6.00	-34.82
COC1=CC=C(Cl)C=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171417	1	37	-1.0	-40.75	330.22	6.00	-34.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1F	REAL300020171418	0	30	-1.0	-38.18	282.77	6.08	-32.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1F	REAL300020171418	1	30	-1.0	-38.18	282.81	6.08	-32.10
NC(=O)COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171419	0	42	-1.0	-48.16	364.01	4.09	-44.07
NC(=O)COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171419	1	42	-1.0	-48.11	364.06	4.09	-44.02
COCCN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC1=O	REAL300020171420	0	39	-1.0	-42.89	338.20	2.56	-40.33
COCCN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC1=O	REAL300020171420	1	39	-1.0	-42.93	338.24	2.57	-40.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300020171421	0	37	-1.0	-42.16	348.33	8.69	-33.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300020171421	1	37	-1.0	-42.33	347.36	8.65	-33.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(F)C=CC=C2S1	REAL300020171422	0	33	-1.0	-42.97	306.97	6.96	-36.01
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(F)C=CC=C2S1	REAL300020171422	1	33	-1.0	-43.07	306.00	6.94	-36.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)S1	REAL300020171423	0	37	-1.0	-43.61	331.62	8.18	-35.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)S1	REAL300020171423	1	37	-1.0	-43.59	331.66	8.18	-35.41
CC1=CC=CC2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN21	REAL300020171424	0	36	-1.0	-52.46	311.59	6.43	-46.03
CC1=CC=CC2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN21	REAL300020171424	1	36	-1.0	-52.50	311.54	6.43	-46.07
O=C(CC1=CSC(C2=CC=CC(F)=C2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171425	0	39	-1.0	-44.49	355.25	7.17	-37.32
O=C(CC1=CSC(C2=CC=CC(F)=C2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171425	1	39	-1.0	-44.49	355.20	7.16	-37.33
O=C(CC1=CSC(C2=CC=C(Cl)C=C2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171426	0	39	-1.0	-43.36	365.56	7.62	-35.74
O=C(CC1=CSC(C2=CC=C(Cl)C=C2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171426	1	39	-1.0	-43.37	365.52	7.62	-35.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)N=C1	REAL300020171427	0	36	-1.0	-45.05	319.51	5.07	-39.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)N=C1	REAL300020171427	1	36	-1.0	-45.05	319.47	5.07	-39.98
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=C1C(=O)CC(C)(C)C2	REAL300020171428	0	46	-1.0	-41.91	367.16	6.41	-35.50
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=C1C(=O)CC(C)(C)C2	REAL300020171428	1	46	-1.0	-42.57	366.18	6.37	-36.20
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N1	REAL300020171429	0	46	-1.0	-40.58	386.44	6.86	-33.72
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N1	REAL300020171429	1	46	-1.0	-41.11	385.47	6.82	-34.29
CCC1=C(C(=O)OC)C(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N1	REAL300020171430	0	43	-1.0	-40.07	366.02	5.97	-34.10
CCC1=C(C(=O)OC)C(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N1	REAL300020171430	1	43	-1.0	-40.03	366.06	5.97	-34.06
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=C1C(=O)CCC2	REAL300020171431	0	40	-1.0	-42.83	330.32	5.50	-37.33
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=C1C(=O)CCC2	REAL300020171431	1	40	-1.0	-43.36	329.35	5.46	-37.90
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2S1	REAL300020171432	0	33	-1.0	-40.28	306.99	6.97	-33.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2S1	REAL300020171432	1	33	-1.0	-40.23	307.04	6.97	-33.26
O=C(CC1=CSC(C2=CC=CC=N2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171433	0	38	-1.0	-51.48	344.21	5.23	-46.25
O=C(CC1=CSC(C2=CC=CC=N2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171433	1	38	-1.0	-51.44	344.25	5.23	-46.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1	REAL300020171434	0	45	-1.0	-45.60	386.93	7.82	-37.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1	REAL300020171434	1	45	-1.0	-45.67	386.89	7.82	-37.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1F	REAL300020171435	0	30	-1.0	-38.07	287.33	6.18	-31.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1F	REAL300020171435	1	30	-1.0	-38.02	287.38	6.19	-31.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1F	REAL300020171436	0	30	-1.0	-41.44	282.78	6.08	-35.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1F	REAL300020171436	1	30	-1.0	-41.40	282.82	6.08	-35.32
CCCCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171437	0	42	-1.0	-40.80	346.39	8.47	-32.33
CCCCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171437	1	42	-1.0	-40.74	346.44	8.47	-32.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CC3=CC=CC=C3C2=C1	REAL300020171438	0	41	-1.0	-42.96	345.70	9.60	-33.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CC3=CC=CC=C3C2=C1	REAL300020171438	1	41	-1.0	-42.93	345.75	9.60	-33.33
CCN1C(=O)C2=CC=CC=C2N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020171439	0	45	-1.0	-42.28	376.70	7.17	-35.11
CCN1C(=O)C2=CC=CC=C2N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020171439	1	45	-1.0	-42.25	376.75	7.17	-35.08
CC1=CC(=O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300020171440	0	42	-1.0	-56.45	369.24	8.30	-48.15
CC1=CC(=O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300020171440	1	42	-1.0	-56.43	369.29	8.31	-48.12
O=C(CC1=CSC(NC(=O)C2=CC=CO2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171441	0	40	-1.0	-45.32	364.85	4.41	-40.91
O=C(CC1=CSC(NC(=O)C2=CC=CO2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171441	1	40	-1.0	-45.30	364.81	4.40	-40.90
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020171442	0	32	-1.0	-43.04	308.07	-0.61	-43.65
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020171442	1	32	-1.0	-43.04	308.11	-0.60	-43.64
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OCC(N)=O	REAL300020171443	0	46	-1.0	-50.53	393.22	3.85	-46.68
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OCC(N)=O	REAL300020171443	1	46	-1.0	-50.53	393.26	3.84	-46.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2OC1	REAL300020171444	0	36	-1.0	-42.07	306.42	5.95	-36.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2OC1	REAL300020171444	1	36	-1.0	-42.04	306.47	5.97	-36.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300020171445	0	36	-1.0	-46.01	335.23	6.36	-39.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300020171445	1	36	-1.0	-46.12	335.19	6.36	-39.76
O=C(COC1=CC=CC(N2CCCC2=O)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171446	0	45	-1.0	-52.18	371.78	7.05	-45.13
O=C(COC1=CC=CC(N2CCCC2=O)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171446	1	45	-1.0	-52.17	371.83	7.05	-45.12
CC1=NC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171447	0	34	-1.0	-40.69	300.95	5.01	-35.68
CC1=NC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171447	1	34	-1.0	-40.67	301.00	5.01	-35.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CN1	REAL300020171448	0	28	-1.0	-37.52	269.31	3.87	-33.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CN1	REAL300020171448	1	28	-1.0	-37.48	270.33	3.90	-33.58
COC1=CC=C(C2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)C=C1	REAL300020171449	0	40	-1.0	-47.08	358.26	5.60	-41.48
COC1=CC=C(C2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)C=C1	REAL300020171449	1	40	-1.0	-47.10	358.22	5.60	-41.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2SC=CN2C1=O	REAL300020171450	0	32	-1.0	-55.68	293.11	4.91	-50.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2SCCN2C1=O	REAL300020171451	0	34	-1.0	-54.43	303.42	4.44	-49.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2SCCN2C1=O	REAL300020171451	1	34	-1.0	-54.48	303.38	4.44	-50.04
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2OC1	REAL300020171452	0	36	-1.0	-39.92	323.02	6.47	-33.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2OC1	REAL300020171452	1	36	-1.0	-39.93	323.07	6.48	-33.45
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1CC1=CC=CC=C1	REAL300020171453	0	47	-1.0	-47.04	382.20	9.72	-37.32
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1CC1=CC=CC=C1	REAL300020171453	1	47	-1.0	-47.00	382.23	9.72	-37.28
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1S(N)(=O)=O	REAL300020171454	0	38	-1.0	-46.93	331.13	1.18	-45.75
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1S(N)(=O)=O	REAL300020171454	1	38	-1.0	-46.88	331.18	1.19	-45.69
CC1=NC(CSCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020171455	0	36	-1.0	-41.92	337.14	5.21	-36.71
CC1=NC(CSCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020171455	1	36	-1.0	-42.59	336.17	5.19	-37.40
O=C(CCSC1=CC=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171456	0	37	-1.0	-40.69	332.09	7.46	-33.23
O=C(CCSC1=CC=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171456	1	37	-1.0	-40.65	332.13	7.47	-33.18
C#CCNS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171457	0	40	-1.0	-44.90	364.90	2.98	-41.92
C#CCNS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171457	1	40	-1.0	-44.87	364.93	2.98	-41.89
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(OC)=C1OCC(N)=O	REAL300020171458	0	46	-1.0	-47.69	391.90	2.47	-45.22
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(OC)=C1OCC(N)=O	REAL300020171458	1	46	-1.0	-47.69	391.95	2.47	-45.22
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171459	0	34	-1.0	-38.44	328.47	7.68	-30.76
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171459	1	34	-1.0	-38.42	328.51	7.68	-30.74
COC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020171460	0	40	-1.0	-42.19	342.25	6.31	-35.88
COC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020171460	1	40	-1.0	-42.13	342.30	6.32	-35.81
O=C(CSC1=NC2=CC=CC=C2O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171461	0	36	-1.0	-42.70	329.15	3.57	-39.13
O=C(CSC1=NC2=CC=CC=C2O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171461	1	36	-1.0	-42.74	329.11	3.57	-39.17
O=C(CSC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171462	0	34	-1.0	-39.80	319.66	7.06	-32.74
O=C(CSC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171462	1	34	-1.0	-39.81	319.71	7.08	-32.73
CCOC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC	REAL300020171463	0	45	-1.0	-42.41	376.49	6.81	-35.60
CCOC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC	REAL300020171463	1	45	-1.0	-42.42	376.53	6.81	-35.61
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COC1=CC2=NC(C)=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020171471	0	42	-1.0	-40.04	348.24	5.84	-34.20
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CC(C)(C)C1=CC=C(C(=O)NCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171478	1	52	-1.0	-44.08	418.78	6.93	-37.15
COC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171479	0	40	-1.0	-39.91	337.03	6.26	-33.65
COC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171479	1	40	-1.0	-39.88	337.07	6.27	-33.61
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171480	0	36	-1.0	-48.10	322.14	3.02	-45.08
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171480	1	36	-1.0	-48.12	322.19	3.02	-45.10
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CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020171482	0	35	-1.0	-37.35	305.36	6.66	-30.69
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020171482	1	35	-1.0	-37.34	305.41	6.66	-30.68
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CC1=CC=C(C(C)C)C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171484	0	46	-1.0	-40.88	374.05	8.56	-32.32
CC1=CC=C(C(C)C)C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171484	1	46	-1.0	-40.81	374.09	8.56	-32.25
O=C(CCOC1=CC=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171485	0	37	-1.0	-41.56	322.22	5.86	-35.70
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O=C(CCC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171486	0	36	-1.0	-38.09	324.25	7.48	-30.61
O=C(CCC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171486	1	36	-1.0	-38.09	324.30	7.49	-30.60
N#CC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171487	0	37	-1.0	-40.16	328.38	7.35	-32.81
N#CC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171487	1	37	-1.0	-40.17	328.42	7.37	-32.80
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O=C(CC1=CC(Cl)=C2OCCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171488	1	39	-1.0	-41.75	345.65	5.84	-35.91
O=C(CCCC1CCCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171489	0	45	-1.0	-38.12	349.80	7.90	-30.22
O=C(CCCC1CCCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171489	1	45	-1.0	-38.07	349.85	7.91	-30.16
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020171490	1	32	-1.0	-38.59	289.74	6.15	-32.44
COC1=CC=CC=C1OCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171491	0	41	-1.0	-42.62	345.24	5.68	-36.94
COC1=CC=CC=C1OCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171491	1	41	-1.0	-42.60	345.29	5.69	-36.91
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1CCCCC1	REAL300020171492	0	50	-1.0	-45.18	379.30	9.05	-36.13
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1CCCCC1	REAL300020171492	1	50	-1.0	-45.13	379.33	9.06	-36.07
CCN1C(C)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020171493	0	40	-1.0	-46.38	328.56	6.94	-39.44
CCN1C(C)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020171493	1	40	-1.0	-46.34	328.61	6.94	-39.40
CC1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171494	0	39	-1.0	-38.96	327.92	7.61	-31.35
CC1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171494	1	39	-1.0	-38.97	327.97	7.61	-31.36
CNS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171495	0	42	-1.0	-44.65	372.57	2.84	-41.81
CNS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171495	1	42	-1.0	-45.33	371.59	2.82	-42.51
COC(=O)C1=C(C)NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020171496	0	40	-1.0	-40.36	344.34	5.22	-35.14
COC(=O)C1=C(C)NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020171496	1	40	-1.0	-40.36	344.38	5.22	-35.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC2=C1CCCC2	REAL300020171497	0	37	-1.0	-41.24	311.47	7.02	-34.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC2=C1CCCC2	REAL300020171497	1	37	-1.0	-41.26	311.51	7.02	-34.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300020171498	0	40	-1.0	-45.79	360.55	7.54	-38.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300020171498	1	40	-1.0	-45.79	360.51	7.54	-38.25
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171499	0	47	-1.0	-49.28	387.04	3.75	-45.53
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171499	1	47	-1.0	-49.24	387.08	3.75	-45.49
CC1OC2=CC=CC=C2N(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020171500	0	45	-1.0	-46.03	373.96	6.07	-39.96
CC1OC2=CC=CC=C2N(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020171500	1	45	-1.0	-45.97	373.99	6.08	-39.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C#CC2=CC=CC=C2)C=C1	REAL300020171501	0	42	-1.0	-41.57	370.41	10.66	-30.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C#CC2=CC=CC=C2)C=C1	REAL300020171501	1	42	-1.0	-41.53	370.45	10.66	-30.87
CS(=O)CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171502	0	38	-1.0	-48.26	337.15	4.71	-43.55
CS(=O)CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171502	1	38	-1.0	-48.27	337.19	4.72	-43.55
C=CCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020171503	0	45	-1.0	-39.95	375.21	6.71	-33.24
C=CCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020171503	1	45	-1.0	-39.87	375.25	6.71	-33.16
CC(C)=CC1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1(C)C	REAL300020171504	0	43	-1.0	-39.43	345.58	7.76	-31.67
CC(C)=CC1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1(C)C	REAL300020171504	1	43	-1.0	-39.40	345.63	7.76	-31.64
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171505	0	42	-1.0	-46.36	358.27	4.50	-41.86
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171505	1	42	-1.0	-46.33	358.32	4.52	-41.81
COC1=CC=C(C)C=C1N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020171506	0	48	-1.0	-44.27	399.45	6.75	-37.52
COC1=CC=C(C)C=C1N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020171506	1	48	-1.0	-44.29	399.50	6.75	-37.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=CC=C2)=N1	REAL300020171507	0	36	-1.0	-47.93	328.84	6.29	-41.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=CC=C2)=N1	REAL300020171507	1	36	-1.0	-47.97	328.79	6.29	-41.68
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300020171508	0	39	-1.0	-39.98	361.13	7.49	-32.49
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300020171508	1	39	-1.0	-40.01	361.09	7.48	-32.53
O=C(CC1=CSC(C2=CSC=C2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171509	0	36	-1.0	-42.25	339.85	6.03	-36.22
O=C(CC1=CSC(C2=CSC=C2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171509	1	36	-1.0	-42.30	339.80	6.03	-36.27
CN1C=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171510	0	31	-1.0	-42.13	290.06	5.57	-36.56
CN1C=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171510	1	31	-1.0	-42.15	290.11	5.57	-36.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2=CC=CC3=CC=CC=C32)C1	REAL300020171511	0	47	-1.0	-45.75	392.75	9.32	-36.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2=CC=CC3=CC=CC=C32)C1	REAL300020171511	1	47	-1.0	-45.76	392.80	9.33	-36.43
O=C(NC1=CC=CC=C1)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171512	0	46	-1.0	-50.61	386.44	6.76	-43.85
O=C(NC1=CC=CC=C1)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171512	1	46	-1.0	-50.60	386.49	6.77	-43.83
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=C1OC(C)C2	REAL300020171513	0	42	-1.0	-42.17	347.98	5.39	-36.78
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC2=C1OC(C)C2	REAL300020171513	1	42	-1.0	-42.09	348.03	5.38	-36.71
CN1C=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171514	0	31	-1.0	-42.24	285.44	5.47	-36.77
CN1C=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171514	1	31	-1.0	-42.15	285.48	5.47	-36.68
CC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020171515	0	40	-1.0	-40.36	335.50	7.31	-33.05
CC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020171515	1	40	-1.0	-40.34	335.54	7.31	-33.03
CC(C)(C)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(C)(C)C)=C1O	REAL300020171516	0	55	-1.0	-41.96	410.85	8.19	-33.77
CC(C)(C)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(C)(C)C)=C1O	REAL300020171516	1	55	-1.0	-41.92	410.90	8.20	-33.72
CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171517	0	41	-1.0	-50.27	361.62	3.56	-46.71
CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171517	1	41	-1.0	-50.22	361.66	3.56	-46.66
CCOC1=CC=CC=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171518	0	41	-1.0	-43.57	346.23	6.96	-36.61
CCOC1=CC=CC=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171518	1	41	-1.0	-43.51	346.27	6.97	-36.54
CC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020171519	0	37	-1.0	-39.30	331.43	7.77	-31.53
CC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020171519	1	37	-1.0	-39.22	331.47	7.77	-31.45
CC1=CC=CC(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171520	0	40	-1.0	-39.66	337.40	6.46	-33.20
CC1=CC=CC(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171520	1	40	-1.0	-39.61	337.45	6.47	-33.14
COC1=CC=C(SCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171521	0	41	-1.0	-39.45	355.79	6.71	-32.74
COC1=CC=C(SCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171521	1	41	-1.0	-39.43	355.84	6.72	-32.71
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCN(C(=O)C2=CC=C(F)C=C2)C1	REAL300020171522	0	47	-1.0	-49.37	384.78	7.31	-42.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCN(C(=O)C2=CC=C(F)C=C2)C1	REAL300020171522	1	47	-1.0	-49.31	384.83	7.30	-42.01
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CC2=CC=C(F)C=C2)=N1	REAL300020171523	0	42	-1.0	-40.35	375.41	7.81	-32.54
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CC2=CC=C(F)C=C2)=N1	REAL300020171523	1	42	-1.0	-40.29	375.46	7.81	-32.48
O=C(C=CC1=CC(Cl)=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171524	0	34	-1.0	-39.70	325.97	7.59	-32.11
O=C(C=CC1=CC(Cl)=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171524	1	34	-1.0	-39.68	326.02	7.59	-32.09
O=C(CC1=CC(F)=CC2=C1OCOC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171525	0	39	-1.0	-42.94	334.83	5.33	-37.61
O=C(CC1=CC(F)=CC2=C1OCOC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171525	1	39	-1.0	-42.93	334.87	5.33	-37.60
O=C(CCN1C=NC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171526	0	41	-1.0	-44.37	352.85	7.11	-37.26
O=C(CCN1C=NC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171526	1	41	-1.0	-44.40	352.80	7.11	-37.29
CC1=CC=CC2=C1N=CN(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2=O	REAL300020171527	0	44	-1.0	-49.37	373.02	7.96	-41.41
CC1=CC=CC2=C1N=CN(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2=O	REAL300020171527	1	44	-1.0	-49.40	372.97	7.94	-41.46
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C2C=NN(C(C)C)C2=N1	REAL300020171528	0	44	-1.0	-39.97	365.14	6.84	-33.13
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C2C=NN(C(C)C)C2=N1	REAL300020171528	1	44	-1.0	-39.97	365.19	6.85	-33.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(=O)CCC2=C1	REAL300020171529	0	38	-1.0	-42.16	321.24	4.67	-37.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(=O)CCC2=C1	REAL300020171529	1	38	-1.0	-42.10	321.29	4.67	-37.43
COC1=CC=C(N2C(C)=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C)C=C1	REAL300020171530	0	48	-1.0	-45.05	395.02	8.64	-36.41
COC1=CC=C(N2C(C)=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C)C=C1	REAL300020171530	1	48	-1.0	-45.04	395.06	8.66	-36.38
CN1C=C(S(N)(=O)=O)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171531	0	36	-1.0	-48.47	324.82	-0.17	-48.64
CN1C=C(S(N)(=O)=O)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171531	1	36	-1.0	-48.45	324.86	-0.17	-48.62
O=C(CC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171532	0	36	-1.0	-38.09	324.85	7.15	-30.94
O=C(CC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171532	1	36	-1.0	-38.07	324.90	7.17	-30.90
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020171533	0	38	-1.0	-43.51	341.44	6.54	-36.97
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020171533	1	38	-1.0	-43.49	341.48	6.54	-36.95
O=C(NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1)C1=CC=CN=C1	REAL300020171534	0	43	-1.0	-50.27	368.31	5.75	-44.52
O=C(NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1)C1=CC=CN=C1	REAL300020171534	1	43	-1.0	-50.31	368.26	5.73	-44.58
O=C(C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171535	0	47	-1.0	-43.99	399.96	8.26	-35.73
O=C(C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171535	1	47	-1.0	-44.01	400.00	8.26	-35.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1	REAL300020171536	0	39	-1.0	-41.56	347.41	6.10	-35.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1	REAL300020171536	1	39	-1.0	-41.56	347.46	6.09	-35.47
COC1=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(C)N=C2C=C1	REAL300020171537	0	42	-1.0	-42.37	348.19	5.83	-36.54
COC1=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(C)N=C2C=C1	REAL300020171537	1	42	-1.0	-42.42	348.24	5.83	-36.59
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020171538	0	38	-1.0	-49.37	342.75	1.51	-47.86
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020171538	1	38	-1.0	-49.37	342.79	1.51	-47.86
CC1CN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=N2)CC(C)O1	REAL300020171539	0	48	-1.0	-42.59	385.58	5.18	-37.41
CC1CN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=N2)CC(C)O1	REAL300020171539	1	48	-1.0	-42.64	385.54	5.18	-37.46
O=C(CN1C=C(Br)C=CC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171540	0	33	-1.0	-46.35	310.57	5.34	-41.01
O=C(CN1C=C(Br)C=CC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171540	1	33	-1.0	-46.35	310.62	5.34	-41.01
CC(NS(=O)(=O)C1=CC=CS1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171541	0	38	-1.0	-45.06	348.11	1.46	-43.60
CC(NS(=O)(=O)C1=CC=CS1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171541	1	38	-1.0	-45.02	348.15	1.47	-43.55
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171542	0	40	-1.0	-45.00	353.77	3.71	-41.29
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171542	1	40	-1.0	-45.02	353.81	3.73	-41.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC=CC(Cl)=C2)=C1	REAL300020171543	0	37	-1.0	-44.64	339.40	5.95	-38.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2=CC=CC(Cl)=C2)=C1	REAL300020171543	1	37	-1.0	-44.63	339.45	5.95	-38.68
O=C(CCC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171544	0	36	-1.0	-39.08	323.25	7.45	-31.63
O=C(CCC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171544	1	36	-1.0	-39.05	323.30	7.45	-31.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300020171545	0	37	-1.0	-39.97	332.33	6.18	-33.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300020171545	1	37	-1.0	-39.97	332.37	6.18	-33.79
CCOC1=CC=C(C2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)C=C1	REAL300020171546	0	43	-1.0	-46.92	380.12	6.53	-40.39
CCOC1=CC=C(C2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)C=C1	REAL300020171546	1	43	-1.0	-46.94	380.07	6.52	-40.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(S(=O)(=O)N2CCCC2)O1	REAL300020171547	0	42	-1.0	-50.23	370.11	2.68	-47.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(S(=O)(=O)N2CCCC2)O1	REAL300020171547	1	42	-1.0	-50.17	370.15	2.68	-47.49
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171548	0	45	-1.0	-44.48	385.06	7.25	-37.23
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171548	1	45	-1.0	-44.49	385.09	7.26	-37.23
COC1=CC=C(C(=O)NCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171549	0	47	-1.0	-45.01	393.53	4.71	-40.30
COC1=CC=C(C(=O)NCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171549	1	47	-1.0	-44.97	393.57	4.73	-40.24
O=C(CCOC1=CC=C(Br)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171550	0	37	-1.0	-37.75	337.29	6.41	-31.34
O=C(CCOC1=CC=C(Br)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171550	1	37	-1.0	-37.73	337.33	6.42	-31.31
COC1=CC=C2OCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=C1	REAL300020171551	0	42	-1.0	-39.84	344.92	5.26	-34.58
COC1=CC=C2OCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=C1	REAL300020171551	1	42	-1.0	-39.84	344.97	5.26	-34.58
O=C(CNS(=O)(=O)C1=CC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171552	0	35	-1.0	-43.97	332.15	0.87	-43.10
O=C(CNS(=O)(=O)C1=CC=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171552	1	35	-1.0	-44.01	332.20	0.88	-43.13
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=C1OCCO2	REAL300020171553	0	44	-1.0	-43.28	368.63	5.68	-37.60
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC2=C1OCCO2	REAL300020171553	1	44	-1.0	-43.26	368.68	5.68	-37.58
CC1=CC(C)=NC2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NN21	REAL300020171554	0	37	-1.0	-57.81	324.34	6.78	-51.03
CC1=CC(C)=NC2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NN21	REAL300020171554	1	37	-1.0	-57.76	324.39	6.78	-50.98
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020171555	0	40	-1.0	-44.81	337.52	7.06	-37.75
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020171555	1	40	-1.0	-44.72	337.56	7.06	-37.66
O=C(CSC1=CC=C2OCCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171556	0	40	-1.0	-41.44	349.14	5.76	-35.68
O=C(CSC1=CC=C2OCCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171556	1	40	-1.0	-41.39	349.19	5.77	-35.62
CC1=C(C)C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020171557	0	40	-1.0	-44.17	335.02	6.74	-37.43
CC1=C(C)C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020171557	1	40	-1.0	-44.15	335.07	6.74	-37.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(N2CCOCC2)=CC=N1	REAL300020171558	0	42	-1.0	-45.33	342.07	2.58	-42.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(N2CCOCC2)=CC=N1	REAL300020171558	1	42	-1.0	-45.36	342.02	2.57	-42.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=CS2)=N1	REAL300020171559	0	33	-1.0	-48.54	319.43	5.30	-43.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=CS2)=N1	REAL300020171559	1	33	-1.0	-48.55	319.38	5.30	-43.25
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1CC1	REAL300020171560	0	41	-1.0	-46.24	337.13	7.56	-38.68
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1CC1	REAL300020171560	1	41	-1.0	-46.25	337.18	7.56	-38.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(CC2=CC=CC=C2)C(=O)C=C1	REAL300020171561	0	42	-1.0	-41.13	364.53	6.50	-34.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(CC2=CC=CC=C2)C(=O)C=C1	REAL300020171561	1	42	-1.0	-41.13	364.57	6.50	-34.63
N#CCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171562	0	39	-1.0	-44.83	346.64	6.69	-38.14
N#CCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171562	1	39	-1.0	-44.80	346.68	6.69	-38.11
CCN1C(=O)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020171563	0	43	-1.0	-46.68	366.52	7.82	-38.86
CCN1C(=O)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020171563	1	43	-1.0	-46.73	366.57	7.82	-38.91
CC1=NC(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C#N)C(C)=C1C	REAL300020171564	0	43	-1.0	-43.82	376.08	6.94	-36.88
CC1=NC(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C#N)C(C)=C1C	REAL300020171564	1	43	-1.0	-43.83	376.12	6.95	-36.88
CC1=CC(C)=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=C1	REAL300020171565	0	40	-1.0	-40.61	337.45	6.71	-33.90
CC1=CC(C)=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=C1	REAL300020171565	1	40	-1.0	-40.57	337.49	6.71	-33.86
NS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171566	0	39	-1.0	-45.72	350.14	1.63	-44.09
NS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171566	1	39	-1.0	-46.28	349.16	1.60	-44.68
CC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020171567	0	39	-1.0	-38.29	341.98	8.05	-30.24
CC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020171567	1	39	-1.0	-38.28	342.03	8.05	-30.23
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(S(N)(=O)=O)=C1C	REAL300020171568	0	41	-1.0	-47.54	348.05	1.73	-45.81
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(S(N)(=O)=O)=C1C	REAL300020171568	1	41	-1.0	-47.53	348.10	1.73	-45.80
CC1=NC(C2=CC=C(C)C=C2)=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020171569	0	45	-1.0	-42.90	384.46	7.93	-34.97
CC1=NC(C2=CC=C(C)C=C2)=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020171569	1	45	-1.0	-42.88	384.42	7.93	-34.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL300020171570	0	30	-1.0	-37.34	274.33	5.62	-31.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL300020171570	1	30	-1.0	-37.38	274.37	5.62	-31.76
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171571	0	41	-1.0	-40.54	358.32	2.51	-38.03
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171571	1	41	-1.0	-40.51	358.36	2.51	-38.00
CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020171572	0	41	-1.0	-40.89	341.97	5.60	-35.29
CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020171572	1	41	-1.0	-40.85	342.01	5.62	-35.23
CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC	REAL300020171573	0	42	-1.0	-46.41	358.05	1.52	-44.89
CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC	REAL300020171573	1	42	-1.0	-46.38	358.11	1.52	-44.86
CC1=CC2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN2C=C1	REAL300020171574	0	36	-1.0	-52.73	313.25	6.61	-46.12
CC1=CC2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN2C=C1	REAL300020171574	1	36	-1.0	-52.70	313.29	6.61	-46.09
CCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171575	0	40	-1.0	-39.76	334.25	6.52	-33.24
CCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171575	1	40	-1.0	-39.73	334.29	6.52	-33.21
CCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OCC	REAL300020171576	0	47	-1.0	-40.55	385.32	7.32	-33.23
CCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OCC	REAL300020171576	1	47	-1.0	-40.50	385.36	7.34	-33.16
CSCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171577	0	37	-1.0	-41.38	327.61	7.37	-34.01
CSCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171577	1	37	-1.0	-41.35	327.66	7.37	-33.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL300020171578	0	36	-1.0	-41.95	305.96	4.64	-37.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCOC2=C1	REAL300020171578	1	36	-1.0	-41.94	306.00	4.65	-37.29
O=C(C=CC1=CC=CC(C(F)(F)F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171579	0	37	-1.0	-39.35	335.05	7.68	-31.67
O=C(C=CC1=CC=CC(C(F)(F)F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171579	1	37	-1.0	-39.28	335.09	7.68	-31.60
O=C(CCCSC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171580	0	40	-1.0	-38.92	364.56	8.71	-30.21
O=C(CCCSC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171580	1	40	-1.0	-38.90	364.61	8.72	-30.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2=CC=CC=C2F)C1	REAL300020171581	0	41	-1.0	-44.74	353.97	6.75	-37.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2=CC=CC=C2F)C1	REAL300020171581	1	41	-1.0	-44.67	354.01	6.76	-37.91
CC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(NC(C)=O)=C1	REAL300020171582	0	44	-1.0	-55.07	373.07	3.28	-51.79
CC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(NC(C)=O)=C1	REAL300020171582	1	44	-1.0	-55.05	373.12	3.28	-51.77
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171583	0	39	-1.0	-46.77	339.92	6.76	-40.01
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171583	1	39	-1.0	-46.72	339.96	6.76	-39.96
N#CC1=CC=C(N2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2)N=C1	REAL300020171584	0	45	-1.0	-41.79	374.03	6.43	-35.36
N#CC1=CC=C(N2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2)N=C1	REAL300020171584	1	45	-1.0	-41.83	373.98	6.42	-35.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2	REAL300020171585	0	44	-1.0	-50.64	375.40	8.50	-42.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2	REAL300020171585	1	44	-1.0	-50.56	375.44	8.50	-42.06
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1N1C=CC=C1	REAL300020171586	0	41	-1.0	-40.06	342.19	8.88	-31.18
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1N1C=CC=C1	REAL300020171586	1	41	-1.0	-40.08	342.23	8.88	-31.20
O=C(CC1=CC=C2OCCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171587	0	38	-1.0	-41.08	321.03	5.98	-35.10
O=C(CC1=CC=C2OCCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171587	1	38	-1.0	-41.00	321.07	5.98	-35.02
O=C(CNC(=O)NC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171588	0	39	-1.0	-43.02	335.00	3.25	-39.77
O=C(CNC(=O)NC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171588	1	39	-1.0	-43.05	335.05	3.27	-39.78
O=C(C=CC1=CC2=CC=CC=C2O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171589	0	37	-1.0	-44.67	326.22	7.26	-37.41
O=C(C=CC1=CC2=CC=CC=C2O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171589	1	37	-1.0	-44.71	326.26	7.27	-37.44
O=C(C=CC1=CC=C2OCCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171590	0	39	-1.0	-42.16	330.89	6.51	-35.65
O=C(C=CC1=CC=C2OCCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171590	1	39	-1.0	-42.16	330.94	6.51	-35.65
CC1OC2=CC=CC=C2N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020171591	0	42	-1.0	-42.77	352.19	5.53	-37.24
CC1OC2=CC=CC=C2N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020171591	1	42	-1.0	-42.75	352.23	5.54	-37.21
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(NC(=O)C2=CC=CO2)=C1	REAL300020171592	0	41	-1.0	-51.60	365.76	5.30	-46.30
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(NC(=O)C2=CC=CO2)=C1	REAL300020171592	1	41	-1.0	-51.61	365.80	5.30	-46.31
CC(NC(=O)C1=CC=CS1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171593	0	37	-1.0	-42.67	331.99	3.81	-38.86
CC(NC(=O)C1=CC=CS1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171593	1	37	-1.0	-42.68	332.03	3.81	-38.87
O=C(C=CC1=CC=C(N2CCCC2=O)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171594	0	45	-1.0	-51.31	374.04	7.78	-43.53
O=C(C=CC1=CC=C(N2CCCC2=O)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171594	1	45	-1.0	-51.26	374.09	7.80	-43.46
CC1=NN(C)C(Cl)=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171595	0	37	-1.0	-41.78	337.63	5.48	-36.30
CC1=NN(C)C(Cl)=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171595	1	37	-1.0	-41.74	337.67	5.49	-36.25
CC1=CC=C(C2=CN=C(CCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)O2)C=C1	REAL300020171596	0	45	-1.0	-42.37	384.11	6.12	-36.25
CC1=CC=C(C2=CN=C(CCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)O2)C=C1	REAL300020171596	1	45	-1.0	-42.41	384.16	6.13	-36.28
CC1=NN(C)C2=C1C=C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)S2	REAL300020171597	0	36	-1.0	-41.86	325.13	5.18	-36.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC=CC=C2Cl)=C1	REAL300020171598	0	37	-1.0	-46.71	336.85	5.76	-40.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2=CC=CC=C2Cl)=C1	REAL300020171598	1	37	-1.0	-46.70	336.89	5.76	-40.94
O=C(CCOC1=CC=CC=C1C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171599	0	47	-1.0	-41.13	394.74	9.55	-31.58
O=C(CCOC1=CC=CC=C1C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171599	1	47	-1.0	-41.09	394.79	9.56	-31.53
CS(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171600	0	35	-1.0	-47.47	313.69	4.08	-43.39
CS(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171600	1	35	-1.0	-47.45	313.73	4.09	-43.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C2=C1CCC2	REAL300020171601	0	44	-1.0	-53.73	369.99	8.45	-45.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C2=C1CCC2	REAL300020171601	1	44	-1.0	-53.66	370.03	8.45	-45.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2CCNC2=O)C=C1	REAL300020171602	0	40	-1.0	-53.34	333.76	4.21	-49.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2CCNC2=O)C=C1	REAL300020171602	1	40	-1.0	-53.33	333.80	4.21	-49.12
CC(C)N1N=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C21	REAL300020171603	0	41	-1.0	-42.39	348.61	6.20	-36.19
CC(C)N1N=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C21	REAL300020171603	1	41	-1.0	-42.40	348.57	6.19	-36.21
CC1=NOC2=NC(C(C)C)=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C12	REAL300020171604	0	43	-1.0	-36.24	351.29	4.29	-31.95
CC1=NOC2=NC(C(C)C)=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C12	REAL300020171604	1	43	-1.0	-36.23	351.35	4.30	-31.93
CC1=NOC2=NC(C3CC3)=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C12	REAL300020171605	0	41	-1.0	-39.15	345.49	4.42	-34.73
CC1=NOC2=NC(C3CC3)=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C12	REAL300020171605	1	41	-1.0	-39.17	345.53	4.42	-34.75
O=C(C=CC1=CC=CC(OCC2=CC=CC=C2)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171606	0	48	-1.0	-42.11	407.26	9.95	-32.16
O=C(C=CC1=CC=CC(OCC2=CC=CC=C2)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171606	1	48	-1.0	-42.11	407.30	9.95	-32.16
CN1C=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171607	0	33	-1.0	-45.42	298.38	5.68	-39.74
CN1C=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171607	1	33	-1.0	-45.39	298.41	5.68	-39.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C2=NC3=CC=CC=C3O2)CC1	REAL300020171608	0	47	-1.0	-42.96	383.21	4.35	-38.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C2=NC3=CC=CC=C3O2)CC1	REAL300020171608	1	47	-1.0	-42.95	383.16	4.34	-38.61
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N1	REAL300020171609	0	42	-1.0	-49.16	366.20	4.69	-44.47
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N1	REAL300020171609	1	42	-1.0	-49.12	366.24	4.70	-44.42
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300020171609	1	41	-2.0	-101.21	362.96	3.55	-97.66
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300020171609	1	41	-2.0	-101.14	363.00	3.56	-97.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(NC(=O)C2CC2)S1	REAL300020171610	0	38	-1.0	-51.16	340.67	5.08	-46.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NC(=O)C2CC2)S1	REAL300020171610	1	38	-1.0	-51.46	339.90	5.06	-46.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL300020171611	0	41	-1.0	-40.94	341.17	6.40	-34.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL300020171611	1	41	-1.0	-40.96	341.22	6.40	-34.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL300020171612	0	36	-1.0	-46.87	335.56	5.70	-41.17
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL300020171612	1	36	-1.0	-46.91	335.51	5.70	-41.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC2=CC=CC=C12	REAL300020171613	0	33	-1.0	-42.07	294.87	6.78	-35.29
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC2=CC=CC=C12	REAL300020171613	1	33	-1.0	-42.07	294.91	6.78	-35.29
N#CC1=CC=CC=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171614	0	35	-1.0	-43.93	314.84	6.90	-37.03
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CC1CN(CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC(C)O1	REAL300020171615	1	52	-1.0	-41.03	408.20	6.35	-34.68
CC1C[NH+](CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC(C)O1	REAL300020171615	1	53	0.0	-65.39	414.77	8.27	-57.12
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171616	0	38	-1.0	-36.92	325.21	6.60	-30.32
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171616	1	38	-1.0	-36.91	325.26	6.60	-30.31
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COC1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C2C=C1	REAL300020171618	0	39	-1.0	-46.61	334.38	5.22	-41.39
COC1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2C=C1	REAL300020171618	1	39	-1.0	-46.63	334.33	5.22	-41.41
CC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020171619	0	42	-1.0	-39.03	343.29	8.07	-30.96
CC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020171619	1	42	-1.0	-39.00	343.33	8.08	-30.92
CC1=CC=C(S(=O)(=O)NC2CC2)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171620	0	45	-1.0	-50.11	386.57	3.99	-46.12
CC1=CC=C(S(=O)(=O)NC2CC2)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171620	1	45	-1.0	-46.04	385.58	3.97	-42.07
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020171621	0	36	-1.0	-43.50	319.16	5.45	-38.05
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020171621	1	36	-1.0	-43.46	319.20	5.45	-38.01
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C2C=NN(C(C)C)C2=N1	REAL300020171622	0	44	-1.0	-39.48	367.77	6.74	-32.74
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C2C=NN(C(C)C)C2=N1	REAL300020171622	1	44	-1.0	-39.46	367.81	6.74	-32.72
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171623	0	42	-1.0	-43.36	370.23	5.52	-37.84
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CC1=CC=CC(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020171624	0	43	-1.0	-39.89	353.07	7.07	-32.82
CC1=CC=CC(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020171624	1	43	-1.0	-39.83	353.11	7.08	-32.75
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CS(=O)(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020171625	1	41	-1.0	-42.63	342.40	2.16	-40.47
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NC=CC=C12	REAL300020171626	1	35	-1.0	-41.11	297.34	5.83	-35.28
O=C(C=CC1=CC=CC2=CC=CN=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171627	0	39	-1.0	-47.04	336.83	7.21	-39.83
O=C(C=CC1=CC=CC2=CC=CN=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171627	1	39	-1.0	-47.05	336.87	7.22	-39.83
CC1=NN(C)C2=NC(C)=C(CCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C(C)=C12	REAL300020171628	0	50	-1.0	-42.97	401.26	7.54	-35.43
CC1=NN(C)C2=NC(C)=C(CCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C(C)=C12	REAL300020171628	1	50	-1.0	-42.97	401.31	7.54	-35.43
O=C(COC1=CC=C(OC2=CC=CC=C2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171629	0	45	-1.0	-40.86	383.85	8.78	-32.08
O=C(COC1=CC=C(OC2=CC=CC=C2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171629	1	45	-1.0	-40.81	383.89	8.79	-32.02
CC(=O)NC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171630	0	41	-1.0	-46.08	351.71	5.59	-40.49
CC(=O)NC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171630	1	41	-1.0	-46.06	351.76	5.59	-40.47
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)NC2=CC(F)=CC=C21	REAL300020171632	0	38	-1.0	-41.38	327.46	4.54	-36.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)NC2=CC(F)=CC=C21	REAL300020171632	1	38	-1.0	-41.37	327.50	4.54	-36.83
O=C(CCNC(=O)CC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171633	0	43	-1.0	-45.56	367.24	5.29	-40.27
O=C(CCNC(=O)CC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171633	1	43	-1.0	-45.56	367.29	5.29	-40.27
CCOC1=NC=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171634	0	36	-1.0	-42.94	308.42	4.27	-38.67
CCOC1=NC=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171634	1	36	-1.0	-42.99	308.38	4.26	-38.73
O=C(CCC1CC2=CC=CC=C2NC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171635	0	44	-1.0	-43.98	362.14	5.82	-38.16
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COC1=CC=C(F)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171637	0	34	-1.0	-45.33	295.22	5.99	-39.34
COC1=CC=C(F)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171637	1	34	-1.0	-45.33	295.27	6.00	-39.33
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2N1	REAL300020171638	0	40	-1.0	-43.93	336.49	6.68	-37.25
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2N1	REAL300020171638	1	40	-1.0	-43.92	336.54	6.68	-37.24
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COC1=CC=C(N2N=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C)C=C1	REAL300020171643	0	43	-1.0	-49.60	363.28	4.94	-44.66
COC1=CC=C(N2N=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C)C=C1	REAL300020171643	1	43	-1.0	-49.58	363.33	4.94	-44.64
CC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NN2)C=C1	REAL300020171644	0	40	-1.0	-45.17	343.05	6.09	-39.08
CC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NN2)C=C1	REAL300020171644	1	40	-1.0	-45.13	343.09	6.09	-39.04
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC=C(Cl)C=C2)=C1	REAL300020171645	0	37	-1.0	-44.07	339.40	5.96	-38.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2=CC=C(Cl)C=C2)=C1	REAL300020171645	1	37	-1.0	-44.05	339.44	5.96	-38.09
NC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171646	0	36	-1.0	-46.28	310.64	1.54	-44.74
NC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171646	1	36	-1.0	-46.23	310.69	1.55	-44.68
CCOC(=O)NCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171647	0	37	-1.0	-42.07	319.63	1.82	-40.25
CCOC(=O)NCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171647	1	37	-1.0	-42.02	319.67	1.82	-40.20
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300020171648	1	36	-1.0	-43.80	336.88	7.02	-36.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2F)=C1	REAL300020171649	0	36	-1.0	-47.49	327.26	6.61	-40.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=CC=C2F)=C1	REAL300020171649	1	36	-1.0	-47.45	327.22	6.61	-40.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)NC2=CC=CC=C21	REAL300020171650	0	38	-1.0	-48.01	320.58	4.45	-43.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)NC2=CC=CC=C21	REAL300020171650	1	38	-1.0	-47.98	320.63	4.44	-43.54
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1=CC=C(Cl)C=C1	REAL300020171651	0	40	-1.0	-42.12	354.17	7.55	-34.57
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300020171651	1	40	-1.0	-42.12	354.21	7.56	-34.56
CC1=CC=CC(COC2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=C1	REAL300020171652	0	47	-1.0	-42.76	394.15	9.43	-33.33
CC1=CC=CC(COC2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=C1	REAL300020171652	1	47	-1.0	-42.72	394.20	9.43	-33.29
CC1=NN(C)C2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020171653	0	38	-1.0	-42.11	327.95	5.22	-36.89
CC1=NN(C)C2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020171653	1	38	-1.0	-42.11	327.99	5.23	-36.88
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171654	0	40	-1.0	-42.95	344.36	5.97	-36.98
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171654	1	40	-1.0	-42.91	344.40	5.97	-36.94
COC1=C(OC)C(OC)=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C1	REAL300020171655	0	46	-1.0	-42.94	391.54	4.67	-38.27
COC1=C(OC)C(OC)=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C1	REAL300020171655	1	46	-1.0	-41.46	390.75	4.66	-36.80
O=C(CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171656	0	45	-1.0	-45.73	378.00	9.05	-36.68
O=C(CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171656	1	45	-1.0	-45.71	378.05	9.06	-36.65
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL300020171657	0	42	-1.0	-43.47	362.41	5.30	-38.17
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL300020171657	1	42	-1.0	-43.51	362.37	5.30	-38.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2=CC=CC=C2)N=N1	REAL300020171658	0	39	-1.0	-49.76	344.07	5.65	-44.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2=CC=CC=C2)N=N1	REAL300020171658	1	39	-1.0	-49.80	344.03	5.65	-44.15
COC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020171659	0	40	-1.0	-48.06	350.09	5.91	-42.15
COC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020171659	1	40	-1.0	-48.08	350.04	5.91	-42.17
CC(C)C1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171660	0	43	-1.0	-40.48	355.25	7.86	-32.62
CC(C)C1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171660	1	43	-1.0	-40.45	355.29	7.87	-32.58
O=C(NC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171661	0	34	-1.0	-44.34	297.64	3.71	-40.63
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CC1=NN(C)C2=NC(C)=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C12	REAL300020171662	0	41	-1.0	-41.89	343.59	5.63	-36.26
CC1=NN(C)C2=NC(C)=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C12	REAL300020171662	1	41	-1.0	-39.01	340.79	5.68	-33.33
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CC(C)(C)C1=CC=C(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171696	0	46	-1.0	-38.87	380.81	8.94	-29.93
CC(C)(C)C1=CC=C(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171696	1	46	-1.0	-38.94	380.84	8.95	-29.99
CC1=CC=C2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)SC2=C1	REAL300020171697	0	38	-1.0	-42.71	329.51	7.64	-35.07
CC1=CC=C2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)SC2=C1	REAL300020171697	1	38	-1.0	-42.67	329.56	7.64	-35.03
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171698	0	38	-1.0	-48.55	334.75	2.20	-46.35
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COC1=CC=C(C2=NOC(CCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)C=C1	REAL300020171699	1	45	-1.0	-41.69	387.87	4.91	-36.78
COC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020171700	0	40	-1.0	-41.01	352.05	6.79	-34.22
COC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020171700	1	40	-1.0	-41.01	352.10	6.79	-34.22
COC1=CC=CC=C1N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020171701	0	45	-1.0	-45.92	376.98	6.06	-39.86
COC1=CC=CC=C1N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020171701	1	45	-1.0	-45.91	377.03	6.06	-39.85
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CC1=CC=C(C(=O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171703	0	35	-1.0	-43.15	302.40	5.96	-37.19
CC1=CC=C(C(=O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171703	1	35	-1.0	-43.10	302.45	5.96	-37.14
CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020171704	0	39	-1.0	-39.08	318.44	7.68	-31.40
CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020171704	1	39	-1.0	-39.12	318.56	7.68	-31.44
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(N1)SC=C2	REAL300020171706	1	31	-1.0	-39.74	284.63	4.47	-35.27
CC1=NN(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020171707	0	39	-1.0	-42.96	331.07	5.21	-37.75
CC1=NN(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020171707	1	39	-1.0	-42.98	331.11	5.23	-37.75
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(CN2C(=O)CSC2=O)=C1	REAL300020171708	1	41	-1.0	-44.63	367.15	6.26	-38.37
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CC(C)(C)C(=O)NCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171710	0	42	-1.0	-43.54	345.67	3.54	-40.00
CC(C)(C)C(=O)NCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171710	1	42	-1.0	-43.55	345.72	3.54	-40.01
CC1=CC=NC2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NN21	REAL300020171711	0	34	-1.0	-58.05	302.94	6.17	-51.88
CC1=CC=NC2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NN21	REAL300020171711	1	34	-1.0	-58.04	302.99	6.17	-51.87
CC12CCC(=O)N1C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CS2	REAL300020171712	0	39	-1.0	-45.70	328.40	5.78	-39.92
CC12CCC(=O)N1C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CS2	REAL300020171712	1	39	-1.0	-45.64	328.44	5.78	-39.86
O=C(CN1C(=S)NN=C1C1=CC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171713	0	37	-1.0	-41.73	346.72	7.00	-34.73
O=C(CN1C(=S)NN=C1C1=CC=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171713	1	37	-1.0	-41.74	346.77	7.00	-34.74
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171713	1	36	-2.0	-94.66	343.29	6.84	-87.82
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171713	1	36	-2.0	-94.57	343.34	6.84	-87.73
CC(=O)C1=CN(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171714	0	36	-1.0	-41.08	311.25	5.38	-35.70
CC(=O)C1=CN(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171714	1	36	-1.0	-41.10	311.30	5.38	-35.72
CSC1=NC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020171715	0	32	-1.0	-43.95	308.50	4.58	-39.37
CSC1=NC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020171715	1	32	-1.0	-43.89	308.45	4.57	-39.32
CC1=NOC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=N1	REAL300020171716	0	38	-1.0	-40.31	333.89	4.85	-35.46
CC1=NOC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=N1	REAL300020171716	1	38	-1.0	-40.31	333.85	4.85	-35.46
O=C(NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300020171717	0	44	-1.0	-44.78	373.15	7.50	-37.28
O=C(NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300020171717	1	44	-1.0	-44.68	373.20	7.50	-37.18
COC1=CC(OC)=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C1	REAL300020171718	0	42	-1.0	-42.38	354.27	4.00	-38.38
COC1=CC(OC)=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C1	REAL300020171718	1	42	-1.0	-42.39	354.31	4.00	-38.39
O=C(CCC1=NN=C(C2=CSC=C2)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171719	0	38	-1.0	-42.17	349.18	1.81	-40.36
O=C(CCC1=NN=C(C2=CSC=C2)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171719	1	38	-1.0	-42.16	349.23	1.82	-40.34
CC(C)N1C=NN=C1SCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171720	0	39	-1.0	-45.72	344.87	7.20	-38.52
CC(C)N1C=NN=C1SCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171720	1	39	-1.0	-45.70	344.82	7.19	-38.51
O=C(CSC1=NN=NN1C1CCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171721	0	42	-1.0	-41.56	363.80	5.63	-35.93
O=C(CSC1=NN=NN1C1CCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171721	1	42	-1.0	-41.57	363.75	5.62	-35.95
O=C(CSC1=NN=NN1C1CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171722	0	36	-1.0	-42.51	330.28	4.38	-38.13
O=C(CSC1=NN=NN1C1CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171722	1	36	-1.0	-42.54	330.24	4.37	-38.17
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020171723	0	35	-1.0	-40.23	312.26	4.32	-35.91
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020171723	1	35	-1.0	-40.25	312.22	4.32	-35.93
COC1=CC=C(C2=C(C)SC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)C=C1	REAL300020171724	0	44	-1.0	-41.98	382.02	8.09	-33.89
COC1=CC=C(C2=C(C)SC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)C=C1	REAL300020171724	1	44	-1.0	-42.03	382.08	8.09	-33.94
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171725	0	44	-1.0	-42.10	357.04	7.40	-34.70
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171725	1	44	-1.0	-42.08	357.09	7.40	-34.68
CCC1=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2N=C1CC	REAL300020171726	0	46	-1.0	-43.27	376.69	6.38	-36.89
CCC1=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2N=C1CC	REAL300020171726	1	46	-1.0	-43.25	376.75	6.38	-36.87
CSC1=CC=C(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171727	0	37	-1.0	-44.55	317.49	7.18	-37.37
CSC1=CC=C(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171727	1	37	-1.0	-44.56	317.54	7.18	-37.38
CC1=C2C(=CC=C1)SC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2Cl	REAL300020171728	0	36	-1.0	-43.50	328.74	7.86	-35.64
CC1=C2C(=CC=C1)SC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=C2Cl	REAL300020171728	1	36	-1.0	-43.27	326.73	7.82	-35.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C2CC3CC(C2)CC1C3	REAL300020171729	0	44	-1.0	-38.89	321.53	7.29	-31.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C2CC3CC(C2)CC1C3	REAL300020171729	1	44	-1.0	-38.88	321.58	7.29	-31.59
CC1=CC=CC=C1OCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171730	0	43	-1.0	-40.58	357.57	7.30	-33.28
CC1=CC=CC=C1OCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171730	1	43	-1.0	-40.59	357.61	7.31	-33.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CNN=C21	REAL300020171731	0	33	-1.0	-53.32	288.16	4.28	-49.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CNN=C21	REAL300020171731	1	33	-1.0	-53.24	288.21	4.28	-48.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2NN=CC2=CC=C1	REAL300020171731	1	33	-1.0	-43.30	285.93	4.27	-39.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2NN=CC2=CC=C1	REAL300020171731	1	33	-1.0	-43.24	285.97	4.27	-38.97
CC1=CN2C=C(CSCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2C=C1	REAL300020171732	0	43	-1.0	-48.33	378.92	8.65	-39.68
CC1=CN2C=C(CSCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C2C=C1	REAL300020171732	1	43	-1.0	-48.31	378.96	8.66	-39.65
CC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=NN=CN1	REAL300020171733	0	35	-1.0	-47.46	314.17	7.22	-40.24
CC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=NN=CN1	REAL300020171733	1	35	-1.0	-47.45	314.21	7.22	-40.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=NC=N2)N=C1	REAL300020171734	0	35	-1.0	-39.73	311.94	7.34	-32.39
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=NC=N2)N=C1	REAL300020171734	1	35	-1.0	-39.77	311.89	7.33	-32.44
CC1=NOC2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020171735	0	34	-1.0	-40.27	299.94	2.92	-37.35
CC1=NOC2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020171735	1	34	-1.0	-40.22	299.98	2.92	-37.30
O=C(CCCOC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171736	0	40	-1.0	-39.80	343.93	6.63	-33.17
O=C(CCCOC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171736	1	40	-1.0	-39.74	343.97	6.63	-33.11
CC1=CC=C(C2=NNC(=S)N2CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171737	0	43	-1.0	-41.94	376.32	8.54	-33.40
CC1=CC=C(C2=NNC(=S)N2CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171737	1	43	-1.0	-41.97	376.39	8.54	-33.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171737	1	42	-2.0	-102.97	371.60	8.34	-94.63
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171737	1	42	-2.0	-103.00	371.66	8.34	-94.66
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171738	0	38	-2.0	-97.60	345.31	6.26	-91.34
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171738	1	38	-2.0	-97.57	345.35	6.27	-91.30
O=C(CN1C(=O)C2=CC=CC=C2NC1=S)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171738	1	39	-1.0	-51.55	348.40	6.71	-44.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC2=NC=NN21	REAL300020171739	0	31	-1.0	-49.61	275.21	6.93	-42.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC2=NC=NN21	REAL300020171739	1	31	-1.0	-49.59	275.18	6.91	-42.68
CCC1CCC2(CC1)NC(=O)N(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2=O	REAL300020171740	0	51	-1.0	-44.68	404.48	5.47	-39.21
CCC1CCC2(CC1)NC(=O)N(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2=O	REAL300020171740	1	51	-1.0	-44.68	404.52	5.46	-39.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(COC2=CC=C(F)C=C2)O1	REAL300020171741	0	41	-1.0	-44.43	362.92	6.98	-37.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(COC2=CC=C(F)C=C2)O1	REAL300020171741	1	41	-1.0	-44.42	362.97	6.98	-37.44
O=C(COC1=CC=C2OC3=C(CCCC3)C2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171742	0	47	-1.0	-43.13	385.98	8.96	-34.17
O=C(COC1=CC=C2OC3=C(CCCC3)C2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171742	1	47	-1.0	-43.09	386.03	8.97	-34.12
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1=O	REAL300020171743	0	37	-1.0	-38.50	327.15	4.75	-33.75
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C1=O	REAL300020171743	1	37	-1.0	-38.51	327.19	4.75	-33.76
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020171744	0	44	-1.0	-38.73	350.19	7.86	-30.87
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020171744	1	44	-1.0	-38.74	350.24	7.86	-30.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=CC=N2)N=C1	REAL300020171745	0	36	-1.0	-41.41	317.13	5.98	-35.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=CC=N2)N=C1	REAL300020171745	1	36	-1.0	-41.43	317.09	5.98	-35.45
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020171746	0	33	-1.0	-40.05	310.65	5.28	-34.77
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020171746	1	33	-1.0	-40.04	310.69	5.28	-34.76
CN1N=CC2=C1N=CN(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2=O	REAL300020171747	0	41	-1.0	-51.22	356.10	5.84	-45.38
CN1N=CC2=C1N=CN(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2=O	REAL300020171747	1	41	-1.0	-51.16	356.05	5.83	-45.33
CC1=NN2C(=C1)N=CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2C	REAL300020171748	0	38	-1.0	-40.41	320.74	5.58	-34.83
CC1=NN2C(=C1)N=CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=C2C	REAL300020171748	1	38	-1.0	-40.39	320.79	5.59	-34.80
CN1C(=O)C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C2N(C)C1=O	REAL300020171749	0	41	-1.0	-38.24	349.74	5.07	-33.17
CN1C(=O)C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C2N(C)C1=O	REAL300020171749	1	41	-1.0	-38.16	349.79	5.08	-33.08
O=C(CCCNC(=O)NC1CCCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171750	0	51	-1.0	-44.59	407.04	4.50	-40.09
O=C(CCCNC(=O)NC1CCCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171750	1	51	-1.0	-44.59	407.08	4.50	-40.09
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300020171751	0	36	-1.0	-42.03	316.99	2.47	-39.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300020171751	1	36	-1.0	-41.98	317.03	2.47	-39.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C(F)=C1F	REAL300020171752	0	30	-1.0	-34.63	284.89	5.74	-28.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C(F)=C1F	REAL300020171752	1	30	-1.0	-34.62	284.94	5.74	-28.88
CC1CCC2=C(C1)SC=C2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171753	0	40	-1.0	-40.85	332.27	7.63	-33.22
CC1CCC2=C(C1)SC=C2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171753	1	40	-1.0	-40.86	332.31	7.63	-33.23
CCCCC1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020171754	0	48	-1.0	-37.96	368.62	8.50	-29.46
CCCCC1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020171754	1	48	-1.0	-37.95	368.67	8.50	-29.45
O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171755	0	54	-1.0	-42.94	403.78	5.97	-36.97
O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171755	1	54	-1.0	-42.97	403.86	5.96	-37.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2C=CC=CC2=O)O1	REAL300020171756	0	40	-1.0	-64.98	351.84	6.41	-58.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2C=CC=CC2=O)O1	REAL300020171756	1	40	-1.0	-64.89	351.88	6.42	-58.47
CC(NC(=O)C(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171757	0	42	-1.0	-42.15	342.88	3.73	-38.42
CC(NC(=O)C(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171757	1	42	-1.0	-42.09	342.93	3.74	-38.35
CC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020171758	0	32	-1.0	-40.32	287.61	3.97	-36.35
CC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020171758	1	32	-1.0	-40.26	287.65	3.97	-36.29
CCN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300020171759	0	41	-2.0	-81.14	362.63	6.73	-74.41
CCN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300020171759	1	41	-2.0	-81.09	362.68	6.73	-74.36
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171760	0	45	-1.0	-46.45	386.24	7.49	-38.96
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CCCS(=O)(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171789	0	44	-1.0	-49.24	381.62	3.77	-45.47
CCCS(=O)(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171789	1	44	-1.0	-49.20	381.67	3.77	-45.43
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CC(=O)NCCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171793	0	42	-1.0	-44.86	351.14	3.87	-40.99
CC(=O)NCCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171793	1	42	-1.0	-44.90	351.18	3.87	-41.03
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COCCN1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020171796	0	41	-1.0	-42.91	343.37	3.16	-39.75
COCCN1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020171796	1	41	-1.0	-42.90	343.42	3.16	-39.74
CC1=CC=CC(C2=NNC(=S)N2CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171797	0	43	-1.0	-41.59	375.55	8.49	-33.10
CC1=CC=CC(C2=NNC(=S)N2CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171797	1	43	-1.0	-41.54	375.59	8.50	-33.04
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171797	1	42	-2.0	-107.10	373.86	8.37	-98.73
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171797	1	42	-2.0	-107.03	373.89	8.37	-98.66
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2CC2)C1	REAL300020171798	1	38	-1.0	-41.47	314.84	4.72	-36.75
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O=C(CN1N=NC(C2=CC=C(Cl)C=C2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171800	0	38	-1.0	-40.81	353.54	5.67	-35.14
O=C(CN1N=NC(C2=CC=C(Cl)C=C2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171800	1	38	-1.0	-40.82	353.59	5.66	-35.16
CC(C)C1CCC(C)CC1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171801	0	52	-1.0	-39.92	395.19	8.50	-31.42
CC(C)C1CCC(C)CC1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171801	1	52	-1.0	-39.92	395.25	8.50	-31.42
CN(C(=O)CSCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCC1	REAL300020171802	0	50	-1.0	-46.48	406.00	7.42	-39.06
CN(C(=O)CSCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCCC1	REAL300020171802	1	50	-1.0	-46.49	406.05	7.42	-39.07
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020171803	0	35	-1.0	-42.90	312.70	4.39	-38.51
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020171803	1	35	-1.0	-42.88	312.67	4.39	-38.49
CC(C)C(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020171804	0	46	-1.0	-41.31	359.57	5.72	-35.59
CC(C)C(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020171804	1	46	-1.0	-40.18	359.88	5.74	-34.44
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CC1=NN(CCC#N)C(C)=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171807	0	46	-1.0	-45.14	391.05	7.05	-38.09
CC1=NN(CCC#N)C(C)=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171807	1	46	-1.0	-45.17	391.09	7.07	-38.10
O=C(CN1C=CC=C(C(F)(F)F)C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171808	0	36	-1.0	-54.25	327.06	5.74	-48.51
O=C(CN1C=CC=C(C(F)(F)F)C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171808	1	36	-1.0	-54.27	327.11	5.75	-48.52
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=CC=CN2N=C1	REAL300020171809	0	32	-1.0	-52.12	285.84	4.40	-47.72
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=CC=CN2N=C1	REAL300020171809	1	32	-1.0	-52.15	285.79	4.40	-47.75
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C2=CC=CS2)O1	REAL300020171810	0	39	-1.0	-43.53	353.99	4.26	-39.27
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2=CC=CS2)O1	REAL300020171810	1	39	-1.0	-43.56	353.95	4.25	-39.31
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300020171811	0	34	-1.0	-37.60	317.89	6.81	-30.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300020171811	1	34	-1.0	-37.64	317.94	6.82	-30.82
CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171812	0	43	-1.0	-38.11	348.84	3.16	-34.95
CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171812	1	43	-1.0	-38.11	348.88	3.16	-34.95
O=C(NC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171813	0	34	-1.0	-42.31	314.89	4.23	-38.08
O=C(NC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171813	1	34	-1.0	-42.30	314.93	4.24	-38.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2=CC=C(F)C=C2F)C1	REAL300020171814	0	41	-1.0	-41.67	360.39	6.82	-34.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2=CC=C(F)C=C2F)C1	REAL300020171814	1	41	-1.0	-41.66	360.43	6.82	-34.84
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C2=CC=CO2)S1	REAL300020171815	0	36	-1.0	-47.54	328.49	5.16	-42.38
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2=CC=CO2)S1	REAL300020171815	1	36	-1.0	-47.57	328.45	5.15	-42.42
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C2=CC=CS2)=C1	REAL300020171816	0	33	-1.0	-44.28	311.21	5.63	-38.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=CS2)=C1	REAL300020171816	1	33	-1.0	-44.31	311.16	5.63	-38.68
O=C(CSCC1=CC(=O)N2C=CSC2=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171817	0	39	-1.0	-48.27	367.18	6.54	-41.73
O=C(CSCC1=CC(=O)N2C=CSC2=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171817	1	39	-1.0	-48.29	367.23	6.56	-41.73
O=C(CN1N=C2CCCCCN2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171818	0	43	-1.0	-50.17	352.62	6.21	-43.96
O=C(CN1N=C2CCCCCN2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171818	1	43	-1.0	-50.16	352.67	6.22	-43.94
CN1C(=O)CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020171819	0	41	-1.0	-44.40	337.07	6.18	-38.22
CN1C(=O)CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020171819	1	41	-1.0	-44.39	337.12	6.18	-38.21
CC1=CC=C(N2C=NN=C2SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171820	0	43	-1.0	-45.77	383.12	9.83	-35.94
CC1=CC=C(N2C=NN=C2SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171820	1	43	-1.0	-45.80	383.07	9.82	-35.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=NNC2=CC=C1	REAL300020171821	0	33	-1.0	-41.23	285.20	4.06	-37.17
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=NNC2=CC=C1	REAL300020171821	1	33	-1.0	-41.28	284.23	4.04	-37.24
CC1=CC=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C1	REAL300020171822	0	37	-1.0	-40.03	316.61	6.09	-33.94
CC1=CC=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C1	REAL300020171822	1	37	-1.0	-40.02	316.66	6.09	-33.93
COC1=CC=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=C1	REAL300020171823	0	38	-1.0	-42.15	324.66	4.71	-37.44
COC1=CC=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=C1	REAL300020171823	1	38	-1.0	-42.07	323.69	4.69	-37.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2N1	REAL300020171824	0	34	-1.0	-37.51	311.96	5.93	-31.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2N1	REAL300020171824	1	34	-1.0	-37.42	310.99	5.92	-31.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1O	REAL300020171825	0	37	-1.0	-44.12	316.36	6.19	-37.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1O	REAL300020171825	1	37	-1.0	-44.10	316.41	6.19	-37.91
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300020171825	1	36	-2.0	-107.11	312.80	7.18	-99.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300020171825	1	36	-2.0	-107.03	312.84	7.18	-99.85
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171826	0	50	-1.0	-43.06	407.11	6.40	-36.66
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171826	1	50	-1.0	-43.02	407.16	6.40	-36.62
CN1N=CC2=C1N=C(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC2=O	REAL300020171827	0	41	-1.0	-43.65	355.33	4.17	-39.48
CN1N=CC2=C1N=C(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC2=O	REAL300020171827	1	41	-1.0	-43.68	355.38	4.18	-39.50
NC(=O)C1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=C(F)C=C1	REAL300020171828	0	43	-1.0	-50.56	374.03	2.75	-47.81
NC(=O)C1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=C(F)C=C1	REAL300020171828	1	43	-1.0	-50.58	374.08	2.76	-47.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CC=C1O	REAL300020171829	0	31	-1.0	-42.55	291.62	4.53	-38.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CC=C1O	REAL300020171829	1	31	-1.0	-42.55	291.67	4.53	-38.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CC=C1[O-]	REAL300020171829	1	30	-2.0	-98.49	288.06	5.53	-92.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CC=C1[O-]	REAL300020171829	1	30	-2.0	-98.44	288.11	5.54	-92.90
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1[O-]	REAL300020171830	0	30	-2.0	-98.73	283.49	5.43	-93.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1[O-]	REAL300020171830	1	30	-2.0	-98.65	283.54	5.43	-93.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1O	REAL300020171830	1	31	-1.0	-42.72	287.06	4.43	-38.29
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1O	REAL300020171830	1	31	-1.0	-42.73	287.11	4.43	-38.30
O=C(CCNC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171831	0	38	-1.0	-38.91	321.14	5.07	-33.84
O=C(CCNC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171831	1	38	-1.0	-38.81	321.19	5.08	-33.73
CC1=CC=CC=C1NCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171832	0	41	-1.0	-38.94	338.96	5.87	-33.07
CC1=CC=CC=C1NCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171832	1	41	-1.0	-38.91	339.00	5.88	-33.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CNN=C2C=C1	REAL300020171833	0	33	-1.0	-47.58	287.58	4.19	-43.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CNN=C2C=C1	REAL300020171833	1	33	-1.0	-47.57	287.63	4.19	-43.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1Br	REAL300020171834	0	30	-1.0	-39.60	294.49	6.62	-32.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1Br	REAL300020171834	1	30	-1.0	-39.61	294.54	6.63	-32.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=CO2)=N1	REAL300020171835	0	33	-1.0	-51.38	310.35	4.31	-47.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=CO2)=N1	REAL300020171835	1	33	-1.0	-51.39	310.30	4.31	-47.08
COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1O	REAL300020171836	0	35	-1.0	-43.09	298.54	3.63	-39.46
COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1O	REAL300020171836	1	35	-1.0	-43.05	298.58	3.63	-39.42
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(O)=C1	REAL300020171837	0	35	-1.0	-42.04	299.72	3.22	-38.82
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(O)=C1	REAL300020171837	1	35	-1.0	-42.00	299.77	3.22	-38.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1[O-]	REAL300020171838	0	30	-2.0	-97.68	283.49	5.44	-92.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1[O-]	REAL300020171838	1	30	-2.0	-97.63	283.53	5.44	-92.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1O	REAL300020171838	1	31	-1.0	-39.56	287.06	4.43	-35.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1O	REAL300020171838	1	31	-1.0	-39.56	287.10	4.43	-35.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C(Cl)=C1	REAL300020171839	0	30	-2.0	-88.45	284.91	3.96	-84.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([O-])C(Cl)=C1	REAL300020171839	1	30	-2.0	-88.43	284.96	3.98	-84.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(O)C(Cl)=C1	REAL300020171839	1	31	-1.0	-39.01	288.48	3.19	-35.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(O)C(Cl)=C1	REAL300020171839	1	31	-1.0	-39.01	288.52	3.19	-35.82
CC(C)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(O)C(C(C)C)=C1	REAL300020171840	0	49	-1.0	-42.58	389.04	7.79	-34.79
CC(C)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(O)C(C(C)C)=C1	REAL300020171840	1	49	-1.0	-42.54	389.09	7.79	-34.75
O=C(CC1=CN2C=CC=CC2=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171841	0	36	-1.0	-50.57	311.23	6.74	-43.83
O=C(CC1=CN2C=CC=CC2=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171841	1	36	-1.0	-50.51	311.28	6.74	-43.77
CC1=CC(C)=C2C(=C1)SC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2Cl	REAL300020171842	0	39	-1.0	-43.01	349.23	8.50	-34.51
CC1=CC(C)=C2C(=C1)SC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=C2Cl	REAL300020171842	1	39	-1.0	-43.03	348.23	8.48	-34.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(O)C2=CC=CC=C2C=C1	REAL300020171843	0	37	-1.0	-44.30	315.26	6.24	-38.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(O)C2=CC=CC=C2C=C1	REAL300020171843	1	37	-1.0	-44.27	315.31	6.24	-38.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020171843	1	36	-2.0	-108.18	311.70	7.24	-100.94
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020171843	1	36	-2.0	-108.12	311.75	7.25	-100.87
CC(C)(C)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(O)C(C(C)(C)C)=C1	REAL300020171844	0	55	-1.0	-43.53	416.17	8.88	-34.65
CC(C)(C)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(O)C(C(C)(C)C)=C1	REAL300020171844	1	55	-1.0	-43.51	416.21	8.88	-34.63
COC1=CC=C(O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171845	0	35	-1.0	-46.39	299.79	3.19	-43.20
COC1=CC=C(O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171845	1	35	-1.0	-46.32	299.84	3.19	-43.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020171846	0	32	-2.0	-88.08	294.92	5.20	-82.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020171846	1	32	-2.0	-88.03	294.96	5.20	-82.83
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C(C)C1=CC=CC=C1	REAL300020171847	0	50	-1.0	-46.07	387.12	9.58	-36.49
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C(C)C1=CC=CC=C1	REAL300020171847	1	50	-1.0	-46.38	386.81	9.57	-36.81
CC(OC1=CC=CC=C1F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171848	0	37	-1.0	-42.28	319.17	6.60	-35.68
CC(OC1=CC=CC=C1F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171848	1	37	-1.0	-42.21	319.22	6.60	-35.61
O=C(COC1=CC=C(F)C(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171849	0	34	-1.0	-38.89	316.63	6.49	-32.40
O=C(COC1=CC=C(F)C(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171849	1	34	-1.0	-38.85	316.67	6.50	-32.35
O=C(CCOCC(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171850	0	33	-1.0	-39.12	301.23	3.68	-35.44
O=C(CCOCC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171850	1	33	-1.0	-39.12	301.28	3.68	-35.44
CN1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020171851	0	37	-1.0	-42.75	303.47	3.70	-39.05
CN1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020171851	1	37	-1.0	-42.78	303.52	3.71	-39.07
CNC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171852	0	41	-1.0	-43.79	352.41	4.97	-38.82
CNC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171852	1	41	-1.0	-43.77	352.46	4.97	-38.80
O=C(C=CC1=CC=C(OCC2=CC=CN=C2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171853	0	47	-1.0	-44.63	402.07	8.18	-36.45
O=C(C=CC1=CC=C(OCC2=CC=CN=C2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171853	1	47	-1.0	-44.70	402.03	8.18	-36.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=CN=C2)C=C1	REAL300020171854	0	37	-1.0	-41.57	317.29	7.88	-33.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=CN=C2)C=C1	REAL300020171854	1	37	-1.0	-41.53	317.33	7.87	-33.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C2=NN3C=NN=C3C=C2)CC1	REAL300020171855	0	46	-1.0	-44.51	374.73	8.48	-36.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C2=NN3C=NN=C3C=C2)CC1	REAL300020171855	1	46	-1.0	-45.21	373.72	8.45	-36.76
NS(=O)(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020171856	0	40	-1.0	-42.43	335.68	-0.52	-42.95
NS(=O)(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020171856	1	40	-1.0	-42.45	335.72	-0.52	-42.97
C=CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171857	0	38	-1.0	-39.95	325.66	6.30	-33.65
C=CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171857	1	38	-1.0	-39.96	325.70	6.31	-33.65
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2N(C)C1=O	REAL300020171858	0	41	-1.0	-41.48	352.05	5.19	-36.29
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C2N(C)C1=O	REAL300020171858	1	41	-1.0	-41.39	352.09	5.20	-36.19
O=C(CCNC(=O)C1=CC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171859	0	46	-1.0	-45.70	387.67	6.84	-38.86
O=C(CCNC(=O)C1=CC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171859	1	46	-1.0	-45.68	387.71	6.84	-38.84
NC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171860	0	34	-1.0	-47.26	296.00	2.27	-44.99
NC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171860	1	34	-1.0	-47.21	296.05	2.27	-44.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300020171861	0	36	-1.0	-40.25	341.91	3.62	-36.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300020171861	1	36	-1.0	-40.25	341.95	3.63	-36.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL300020171862	0	40	-1.0	-45.93	343.13	8.14	-37.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL300020171862	1	40	-1.0	-45.98	343.08	8.13	-37.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2CCS(=O)(=O)C2)C1	REAL300020171863	0	44	-1.0	-51.80	368.01	1.91	-49.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2CCS(=O)(=O)C2)C1	REAL300020171863	1	44	-1.0	-51.75	368.06	1.91	-49.84
NC(=O)COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171864	0	38	-1.0	-51.39	329.56	2.89	-48.50
NC(=O)COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171864	1	38	-1.0	-51.45	329.61	2.89	-48.56
COC1=CC=C(N2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)C=C1	REAL300020171865	0	45	-1.0	-41.22	370.68	5.69	-35.53
COC1=CC=C(N2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=O)C=C1	REAL300020171865	1	45	-1.0	-41.18	370.72	5.69	-35.49
O=C(CN1CCS(=O)(=O)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171866	0	38	-1.0	-44.46	319.25	-0.30	-44.76
O=C(CN1CCS(=O)(=O)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171866	1	38	-1.0	-44.43	319.30	-0.29	-44.72
O=C(CNC(=O)C1=CNC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171867	0	43	-1.0	-54.38	368.47	4.07	-50.31
O=C(CNC(=O)C1=CNC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171867	1	43	-1.0	-54.36	368.51	4.06	-50.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C2=C(Cl)C=CC=C2S1	REAL300020171868	0	33	-1.0	-42.75	324.79	7.72	-35.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C2=C(Cl)C=CC=C2S1	REAL300020171868	1	33	-1.0	-42.72	324.83	7.73	-34.99
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171869	0	45	-1.0	-43.10	384.01	6.67	-36.43
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171869	1	45	-1.0	-43.03	384.06	6.67	-36.36
O=C(CCC1=CC=C(OC(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171870	0	40	-1.0	-42.25	346.78	6.54	-35.71
O=C(CCC1=CC=C(OC(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171870	1	40	-1.0	-42.23	346.83	6.55	-35.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(CC2=CC=CO2)C1	REAL300020171871	0	41	-1.0	-43.37	350.18	5.14	-38.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(CC2=CC=CO2)C1	REAL300020171871	1	41	-1.0	-43.37	350.22	5.16	-38.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC=CO2)=C1	REAL300020171872	0	34	-1.0	-45.59	306.11	3.55	-42.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2=CC=CO2)=C1	REAL300020171872	1	34	-1.0	-45.61	306.15	3.55	-42.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL300020171873	0	35	-1.0	-46.52	317.46	4.79	-41.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL300020171873	1	35	-1.0	-46.49	317.51	4.79	-41.70
O=C(CN1C=C([N+](=O)[O-])C=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171874	0	32	-1.0	-41.28	295.54	4.29	-36.99
O=C(CN1C=C([N+](=O)[O-])C=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171874	1	32	-1.0	-41.32	295.50	4.28	-37.04
COC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171875	0	38	-1.0	-42.86	328.53	3.70	-39.16
COC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171875	1	38	-1.0	-42.01	328.32	3.71	-38.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=CN=C2)N=C1	REAL300020171876	0	36	-1.0	-43.04	314.57	7.16	-35.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=CN=C2)N=C1	REAL300020171876	1	36	-1.0	-43.00	314.61	7.17	-35.83
O=C(CN1N=CC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171877	0	38	-1.0	-54.58	331.93	5.18	-49.40
O=C(CN1N=CC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171877	1	38	-1.0	-54.51	331.97	5.18	-49.33
CN1C=CN=C1SCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020171878	0	41	-1.0	-47.91	371.07	7.16	-40.75
CN1C=CN=C1SCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020171878	1	41	-1.0	-47.97	371.03	7.16	-40.81
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC2=NC=CC(C)=C12	REAL300020171879	0	38	-1.0	-47.97	324.26	6.07	-41.90
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=NC=CC(C)=C12	REAL300020171879	1	38	-1.0	-48.00	324.31	6.07	-41.93
CC1NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN(C2=CC=CC=C2)C1=O	REAL300020171880	0	43	-1.0	-45.02	367.54	5.22	-39.80
CC1NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN(C2=CC=CC=C2)C1=O	REAL300020171880	1	43	-1.0	-45.04	367.61	5.23	-39.81
CCN1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020171881	0	37	-1.0	-40.07	310.48	4.04	-36.03
CCN1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020171881	1	37	-1.0	-40.00	310.53	4.03	-35.97
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC3=C(CCCCC3)C2=C1	REAL300020171882	0	47	-1.0	-43.91	370.35	8.40	-35.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC3=C(CCCCC3)C2=C1	REAL300020171882	1	47	-1.0	-43.85	370.39	8.40	-35.45
CC1=CC=C(N2N=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C3=C2CCC3)C=C1	REAL300020171883	0	47	-1.0	-53.31	390.39	9.11	-44.20
CC1=CC=C(N2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C3=C2CCC3)C=C1	REAL300020171883	1	47	-1.0	-53.27	390.43	9.11	-44.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C(=O)C2=CC=CN=C2)CC1	REAL300020171884	0	46	-1.0	-46.23	370.97	5.36	-40.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C(=O)C2=CC=CN=C2)CC1	REAL300020171884	1	46	-1.0	-46.26	370.92	5.36	-40.90
CN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1Cl	REAL300020171885	0	31	-1.0	-35.21	294.27	6.02	-29.19
CN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1Cl	REAL300020171885	1	31	-1.0	-35.20	294.32	6.03	-29.17
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCCCCN2C(C2=CC=CC=C2)=N1	REAL300020171886	0	50	-1.0	-53.53	394.11	9.38	-44.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCCCCN2C(C2=CC=CC=C2)=N1	REAL300020171886	1	50	-1.0	-53.55	394.07	9.37	-44.18
CC(C)(C)C1=CC=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=C1	REAL300020171887	0	46	-1.0	-40.10	371.23	7.73	-32.37
CC(C)(C)C1=CC=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=C1	REAL300020171887	1	46	-1.0	-40.10	371.27	7.73	-32.37
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1N1C=NN=N1	REAL300020171888	0	38	-1.0	-40.81	325.02	6.39	-34.42
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1N1C=NN=N1	REAL300020171888	1	38	-1.0	-40.80	324.97	6.38	-34.42
CC(C)CN1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020171889	0	43	-1.0	-39.84	346.91	5.39	-34.45
CC(C)CN1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020171889	1	43	-1.0	-39.86	346.95	5.39	-34.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC2=C1CCCC2	REAL300020171890	0	37	-1.0	-47.13	305.65	4.32	-42.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC2=C1CCCC2	REAL300020171890	1	37	-1.0	-47.06	305.69	4.32	-42.74
O=C(CC1C2=CC=CC=C2OC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171891	0	45	-1.0	-43.10	366.57	10.10	-33.00
O=C(CC1C2=CC=CC=C2OC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171891	1	45	-1.0	-43.06	366.61	10.09	-32.97
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(S(=O)(=O)NCC2CC2)=C1	REAL300020171892	0	45	-1.0	-43.56	390.59	4.06	-39.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(S(=O)(=O)NCC2CC2)=C1	REAL300020171892	1	45	-1.0	-43.52	390.63	4.06	-39.46
O=C(COC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171893	0	36	-1.0	-42.49	322.25	6.59	-35.90
O=C(COC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171893	1	36	-1.0	-42.46	322.29	6.60	-35.86
CC1=NN(C)C2=NC(C)=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020171894	0	41	-1.0	-38.98	343.97	5.88	-33.10
CC1=NN(C)C2=NC(C)=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020171894	1	41	-1.0	-38.92	344.03	5.89	-33.03
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL300020171895	0	40	-1.0	-42.41	343.85	7.10	-35.31
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300020171895	1	40	-1.0	-42.32	343.89	7.10	-35.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(Br)=C1	REAL300020171896	0	27	-1.0	-36.94	266.60	4.19	-32.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(Br)=C1	REAL300020171896	1	27	-1.0	-36.88	266.64	4.19	-32.69
O=C(COC1=CC=C(F)C=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171897	0	34	-1.0	-40.50	307.68	6.08	-34.42
O=C(COC1=CC=C(F)C=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171897	1	34	-1.0	-40.48	307.72	6.09	-34.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300020171898	0	43	-1.0	-42.22	367.54	6.99	-35.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300020171898	1	43	-1.0	-42.27	367.50	6.99	-35.28
CC1=CC=CC=C1C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(N)=O	REAL300020171899	0	45	-1.0	-44.43	364.16	2.95	-41.48
CC1=CC=CC=C1C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(N)=O	REAL300020171899	1	45	-1.0	-44.43	364.21	2.95	-41.48
CC1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020171900	0	43	-1.0	-39.70	357.47	7.20	-32.50
CC1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020171900	1	43	-1.0	-39.70	357.52	7.21	-32.49
CCCC1=CC=C(N2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)C=C1	REAL300020171901	0	50	-1.0	-40.57	405.56	8.62	-31.95
CCCC1=CC=C(N2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=O)C=C1	REAL300020171901	1	50	-1.0	-40.54	405.60	8.62	-31.92
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C2=CN=CC=N2)CC1	REAL300020171902	0	43	-1.0	-40.44	348.62	4.14	-36.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C2=CN=CC=N2)CC1	REAL300020171902	1	43	-1.0	-40.64	347.62	4.12	-36.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2=CC=C3CCCC3=C2)C1	REAL300020171903	0	48	-1.0	-41.48	384.54	8.32	-33.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2=CC=C3CCCC3=C2)C1	REAL300020171903	1	48	-1.0	-41.42	384.59	8.33	-33.09
O=C(CC1=CC=C(N2C=NN=N2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171904	0	38	-1.0	-45.31	333.43	6.32	-38.99
O=C(CC1=CC=C(N2C=NN=N2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171904	1	38	-1.0	-45.30	333.39	6.31	-38.99
O=C(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CCC(=O)C1=CC=CS1	REAL300020171905	0	43	-1.0	-43.23	383.67	7.39	-35.84
O=C(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CCC(=O)C1=CC=CS1	REAL300020171905	1	43	-1.0	-43.24	383.71	7.39	-35.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(C(F)(F)F)NC1=O	REAL300020171906	0	37	-1.0	-46.85	317.50	2.86	-43.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(C(F)(F)F)NC1=O	REAL300020171906	1	37	-1.0	-46.90	317.55	2.87	-44.03
CCOC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1C	REAL300020171907	0	41	-1.0	-44.48	351.59	5.83	-38.65
CCOC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1C	REAL300020171907	1	41	-1.0	-44.41	351.64	5.83	-38.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCC2=C1	REAL300020171908	0	35	-1.0	-41.40	297.40	5.33	-36.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCC2=C1	REAL300020171908	1	35	-1.0	-41.32	297.44	5.33	-35.99
CC1=CC=CC(C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC(N)=O)=C1	REAL300020171909	0	45	-1.0	-43.83	377.92	3.86	-39.97
CC1=CC=CC(C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC(N)=O)=C1	REAL300020171909	1	45	-1.0	-43.83	377.97	3.86	-39.97
CC(OC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171910	0	37	-1.0	-40.69	328.97	7.07	-33.62
CC(OC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171910	1	37	-1.0	-40.67	329.02	7.07	-33.60
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CC=CC=N1	REAL300020171911	0	43	-1.0	-48.21	360.26	8.32	-39.89
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CC=CC=N1	REAL300020171911	1	43	-1.0	-48.30	360.20	8.32	-39.98
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=NC=CS1	REAL300020171912	0	40	-1.0	-45.18	350.32	7.38	-37.80
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=NC=CS1	REAL300020171912	1	40	-1.0	-45.20	350.20	7.37	-37.83
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CC=CN=C1	REAL300020171913	0	43	-1.0	-45.61	363.06	7.66	-37.95
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CC=CN=C1	REAL300020171913	1	43	-1.0	-45.54	363.12	7.65	-37.89
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1CC1=CC=CC=N1	REAL300020171914	0	46	-1.0	-50.85	381.34	8.27	-42.58
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1CC1=CC=CC=N1	REAL300020171914	1	46	-1.0	-50.77	381.39	8.28	-42.49
O=C(CCOC1=CC=CC(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171915	0	37	-1.0	-38.87	322.41	5.85	-33.02
O=C(CCOC1=CC=CC(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171915	1	37	-1.0	-38.88	322.45	5.86	-33.02
O=C(CCOC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171916	0	37	-1.0	-38.14	322.40	5.85	-32.29
O=C(CCOC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171916	1	37	-1.0	-38.14	322.45	5.86	-32.28
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1=CC=CC(Cl)=C1	REAL300020171917	0	40	-1.0	-42.08	354.16	7.55	-34.53
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300020171917	1	40	-1.0	-42.02	354.21	7.56	-34.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2CCCCC2=O)C=C1	REAL300020171918	0	47	-1.0	-44.50	381.90	7.84	-36.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2CCCCC2=O)C=C1	REAL300020171918	1	47	-1.0	-44.54	381.95	7.84	-36.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL300020171919	0	50	-1.0	-50.84	398.27	7.72	-43.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL300020171919	1	50	-1.0	-50.83	398.31	7.73	-43.10
CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)NC1=O	REAL300020171920	0	33	-1.0	-53.35	288.15	1.82	-51.53
CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)NC1=O	REAL300020171920	1	33	-1.0	-52.94	287.33	1.95	-50.99
CCN(CC)C(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020171921	0	51	-1.0	-40.09	387.42	6.55	-33.54
CCN(CC)C(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020171921	1	51	-1.0	-40.09	387.47	6.55	-33.54
CN1C=C(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020171922	0	38	-1.0	-45.38	344.81	-0.42	-45.80
CN1C=C(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020171922	1	38	-1.0	-45.37	344.77	-0.43	-45.80
CN(C)C(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020171923	0	45	-1.0	-42.44	347.66	4.63	-37.81
CN(C)C(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020171923	1	45	-1.0	-40.63	348.62	4.64	-35.99
CC1=CC=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(Cl)C2=C1	REAL300020171924	0	37	-1.0	-39.50	330.97	6.59	-32.91
CC1=CC=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(Cl)C2=C1	REAL300020171924	1	37	-1.0	-39.48	331.01	6.59	-32.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C(=O)NC2CC2)CC1	REAL300020171925	0	46	-1.0	-41.92	368.58	5.16	-36.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C(=O)NC2CC2)CC1	REAL300020171925	1	46	-1.0	-41.91	368.62	5.16	-36.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(CC2=CC=C(Cl)C=C2)=N1	REAL300020171926	0	39	-1.0	-48.30	367.82	7.46	-40.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(CC2=CC=C(Cl)C=C2)=N1	REAL300020171926	1	39	-1.0	-48.29	367.86	7.46	-40.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(=O)CCCC2=C1	REAL300020171927	0	41	-1.0	-42.95	336.88	5.60	-37.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(=O)CCCC2=C1	REAL300020171927	1	41	-1.0	-42.90	336.92	5.61	-37.29
O=C(CCOC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171928	0	37	-1.0	-38.47	332.73	6.30	-32.17
O=C(CCOC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171928	1	37	-1.0	-38.48	332.77	6.31	-32.17
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CC2=CC=CC=C2)=N1	REAL300020171929	0	42	-1.0	-40.51	369.00	7.74	-32.77
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CC2=CC=CC=C2)=N1	REAL300020171929	1	42	-1.0	-40.50	369.04	7.74	-32.76
CC1=CC=C([N+](=O)[O-])C(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171930	0	42	-1.0	-45.89	363.43	7.89	-38.00
CC1=CC=C([N+](=O)[O-])C(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171930	1	42	-1.0	-45.88	363.47	7.90	-37.98
O=C(CSC(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171931	0	27	-1.0	-36.08	268.93	4.21	-31.87
O=C(CSC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171931	1	27	-1.0	-36.09	268.97	4.21	-31.88
CC(OCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171932	0	40	-1.0	-41.05	339.75	7.10	-33.95
CC(OCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171932	1	40	-1.0	-40.98	339.80	7.10	-33.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C=C1	REAL300020171933	0	37	-1.0	-50.70	321.90	6.61	-44.09
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=C1	REAL300020171933	1	37	-1.0	-50.63	322.87	6.62	-44.01
CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)S(C)(=O)=O	REAL300020171934	0	34	-1.0	-41.04	300.50	0.68	-40.36
CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)S(C)(=O)=O	REAL300020171934	1	34	-1.0	-41.00	300.54	0.68	-40.32
O=C(CCN1C=CC=CC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171935	0	36	-1.0	-51.39	311.33	5.23	-46.16
O=C(CCN1C=CC=CC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171935	1	36	-1.0	-51.36	311.38	5.24	-46.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2CCCCC2)C1	REAL300020171936	0	47	-1.0	-42.29	366.50	6.48	-35.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2CCCCC2)C1	REAL300020171936	1	47	-1.0	-42.32	366.54	6.48	-35.84
O=C(CC1=CC=C(N2C=CC=C2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171937	0	41	-1.0	-40.30	347.02	8.94	-31.36
O=C(CC1=CC=C(N2C=CC=C2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171937	1	41	-1.0	-40.24	347.07	8.95	-31.29
O=C(COC1=CC=CC=C1C(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171938	0	37	-1.0	-42.94	332.52	7.00	-35.94
O=C(COC1=CC=CC=C1C(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171938	1	37	-1.0	-42.95	332.56	7.01	-35.94
CC1=CC(C(F)(F)F)=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)OC2=N1	REAL300020171939	0	38	-1.0	-45.65	347.43	4.43	-41.22
CC1=CC(C(F)(F)F)=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)OC2=N1	REAL300020171939	1	38	-1.0	-45.66	347.47	4.43	-41.23
CN(C)S(=O)(=O)C1=CNC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171940	0	39	-1.0	-43.18	346.15	1.14	-42.04
CN(C)S(=O)(=O)C1=CNC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171940	1	39	-1.0	-44.36	347.15	1.15	-43.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(Br)=CC=C2O1	REAL300020171941	0	33	-1.0	-41.11	313.00	6.48	-34.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(Br)=CC=C2O1	REAL300020171941	1	33	-1.0	-41.09	313.05	6.48	-34.61
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020171942	0	44	-1.0	-49.52	372.67	1.82	-47.70
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020171942	1	44	-1.0	-49.47	372.72	1.82	-47.65
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020171942	1	43	-2.0	-99.46	376.21	1.64	-97.82
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020171942	1	43	-2.0	-99.40	376.24	1.64	-97.76
CC1=NC2=CC(F)=CC=C2C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171943	0	38	-1.0	-37.55	326.04	6.53	-31.02
CC1=NC2=CC(F)=CC=C2C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171943	1	38	-1.0	-37.56	326.08	6.53	-31.03
CCCCCCOCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171944	0	42	-1.0	-39.48	346.71	6.56	-32.92
CCCCCCOCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171944	1	42	-1.0	-39.51	346.75	6.56	-32.95
COC1=C2OC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=CC=C1	REAL300020171945	0	37	-1.0	-49.82	322.22	5.15	-44.67
COC1=C2OC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=CC=C1	REAL300020171945	1	37	-1.0	-49.80	322.27	5.16	-44.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL300020171946	0	37	-1.0	-48.85	328.31	6.69	-42.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL300020171946	1	37	-1.0	-48.72	329.28	6.69	-42.03
O=C(CCOC1=CC=C(Cl)C(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171947	0	37	-1.0	-38.01	347.90	6.76	-31.25
O=C(CCOC1=CC=C(Cl)C(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171947	1	37	-1.0	-37.99	347.94	6.77	-31.22
O=C(CCOC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171948	0	37	-1.0	-40.24	332.02	6.34	-33.90
O=C(CCOC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171948	1	37	-1.0	-40.25	332.07	6.35	-33.90
CC1=NN(C2=CC=CC=C2)C2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020171949	0	45	-1.0	-45.13	384.97	8.75	-36.38
CC1=NN(C2=CC=CC=C2)C2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020171949	1	45	-1.0	-45.07	385.02	8.77	-36.30
O=C(CCCNC(=O)C1CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171950	0	40	-1.0	-43.53	339.23	3.87	-39.66
O=C(CCCNC(=O)C1CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171950	1	40	-1.0	-43.50	339.27	3.88	-39.62
CNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020171951	0	35	-1.0	-49.57	324.78	-0.29	-49.86
CNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020171951	1	35	-1.0	-49.53	324.83	-0.29	-49.82
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020171951	1	34	-2.0	-98.06	320.75	-0.76	-98.82
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020171951	1	34	-2.0	-97.98	320.79	-0.77	-98.75
CC1=CC=CC(C)=C1OCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171952	0	43	-1.0	-40.12	357.74	7.32	-32.80
CC1=CC=CC(C)=C1OCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171952	1	43	-1.0	-40.12	357.79	7.33	-32.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(CC(F)(F)F)C1	REAL300020171953	0	37	-1.0	-40.98	328.04	4.44	-36.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(CC(F)(F)F)C1	REAL300020171953	1	37	-1.0	-40.97	328.09	4.43	-36.54
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL300020171954	0	43	-1.0	-44.29	357.24	7.97	-36.32
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL300020171954	1	43	-1.0	-44.29	357.30	7.98	-36.31
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=N2)C(C)=C1	REAL300020171955	0	42	-1.0	-41.44	357.83	7.35	-34.09
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=N2)C(C)=C1	REAL300020171955	1	42	-1.0	-41.45	357.79	7.35	-34.10
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C2=CC(Cl)=CC=C2N1	REAL300020171956	0	34	-1.0	-37.02	326.31	6.45	-30.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C2=CC(Cl)=CC=C2N1	REAL300020171956	1	34	-1.0	-36.99	326.35	6.45	-30.54
CN(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020171957	0	37	-1.0	-43.65	310.04	5.31	-38.34
CN(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020171957	1	37	-1.0	-43.71	310.00	5.31	-38.40
CC1=CC=C(C2=NC(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)O1	REAL300020171958	0	39	-1.0	-46.56	353.27	5.96	-40.60
CC1=CC=C(C2=NC(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)O1	REAL300020171958	1	39	-1.0	-46.53	353.22	5.96	-40.57
CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=CS1	REAL300020171959	0	37	-1.0	-43.92	326.83	4.84	-39.08
CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=CS1	REAL300020171959	1	37	-1.0	-43.91	326.87	4.84	-39.07
O=C(CCNS(=O)(=O)C1=CC=CN=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171960	0	40	-1.0	-45.10	356.29	0.70	-44.40
O=C(CCNS(=O)(=O)C1=CC=CN=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171960	1	40	-1.0	-45.14	356.25	0.70	-44.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2C=CC=N2)O1	REAL300020171961	0	37	-1.0	-44.57	329.05	5.32	-39.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2C=CC=N2)O1	REAL300020171961	1	37	-1.0	-44.59	329.01	5.31	-39.28
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C)=C1OC(F)F	REAL300020171962	0	40	-1.0	-42.14	339.88	6.55	-35.59
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C)=C1OC(F)F	REAL300020171962	1	40	-1.0	-42.11	339.92	6.55	-35.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2CCCC2)C=C1	REAL300020171963	0	44	-1.0	-40.98	356.78	7.75	-33.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2CCCC2)C=C1	REAL300020171963	1	44	-1.0	-40.91	356.82	7.75	-33.16
O=C(CC1=CC=CC=C1)N1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020171964	0	50	-1.0	-52.17	401.97	8.24	-43.93
O=C(CC1=CC=CC=C1)N1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020171964	1	50	-1.0	-52.21	402.00	8.24	-43.97
CN(C)S(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171965	0	45	-1.0	-44.34	391.53	4.67	-39.67
CN(C)S(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171965	1	45	-1.0	-44.98	390.55	4.64	-40.34
CCNS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171966	0	45	-1.0	-44.28	393.61	3.69	-40.59
CCNS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171966	1	45	-1.0	-44.96	392.63	3.67	-41.29
CC1=CC=CC(NC(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171967	0	42	-1.0	-42.83	355.63	3.86	-38.97
CC1=CC=CC(NC(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171967	1	42	-1.0	-42.81	355.69	3.87	-38.94
NS(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020171968	0	35	-1.0	-44.48	331.69	0.26	-44.22
NS(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020171968	1	35	-1.0	-44.50	331.73	0.26	-44.24
CC(C)(C)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020171969	0	43	-1.0	-41.58	341.55	5.13	-36.45
CC(C)(C)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020171969	1	43	-1.0	-41.58	341.59	5.13	-36.45
CC1=CC(C)=C(N2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)C(C)=C1	REAL300020171970	0	50	-1.0	-41.65	407.25	9.43	-32.22
CC1=CC(C)=C(N2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=O)C(C)=C1	REAL300020171970	1	50	-1.0	-41.64	407.29	9.44	-32.20
O=C(CN1CCCCC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171971	0	37	-1.0	-47.74	305.59	4.45	-43.29
O=C(CN1CCCCC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171971	1	37	-1.0	-43.48	306.65	4.48	-39.00
O=C(CN1CCCNC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171972	0	36	-1.0	-45.25	301.37	2.36	-42.89
O=C(CN1CCCNC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171972	1	36	-1.0	-45.24	301.41	2.37	-42.87
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=CC=C(F)C=C1	REAL300020171973	0	39	-1.0	-48.06	340.22	5.71	-42.35
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=CC=C(F)C=C1	REAL300020171973	1	39	-1.0	-48.08	340.26	5.71	-42.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2F)S1	REAL300020171974	0	37	-1.0	-42.48	340.98	8.32	-34.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2F)S1	REAL300020171974	1	37	-1.0	-42.43	341.03	8.33	-34.10
CC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C#N	REAL300020171975	0	33	-1.0	-42.18	298.93	4.61	-37.57
CC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C#N	REAL300020171975	1	33	-1.0	-42.19	298.98	4.61	-37.58
CC(=O)NC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020171976	0	33	-1.0	-45.59	304.41	2.54	-43.05
CC(=O)NC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020171976	1	33	-1.0	-45.61	304.36	2.53	-43.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCN(C(=O)C2CC2)C1	REAL300020171977	0	44	-1.0	-43.41	351.58	5.99	-37.42
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCN(C(=O)C2CC2)C1	REAL300020171977	1	44	-1.0	-43.42	351.62	6.01	-37.41
O=C(COC1=CC=CC(NC(=O)C2CC2)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171978	0	45	-1.0	-44.20	381.95	6.43	-37.77
O=C(COC1=CC=CC(NC(=O)C2CC2)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171978	1	45	-1.0	-44.14	382.00	6.45	-37.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL300020171979	0	36	-1.0	-46.41	335.77	6.99	-39.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL300020171979	1	36	-1.0	-46.52	335.73	6.99	-39.53
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1NC(=O)C1=CC=CC=C1	REAL300020171980	0	47	-1.0	-52.70	391.02	8.36	-44.34
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1NC(=O)C1=CC=CC=C1	REAL300020171980	1	47	-1.0	-52.65	391.07	8.36	-44.29
CC(C)C(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171981	0	43	-1.0	-43.98	357.12	5.85	-38.13
CC(C)C(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171981	1	43	-1.0	-43.93	357.17	5.85	-38.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2N1	REAL300020171982	0	34	-1.0	-38.50	311.96	5.91	-32.59
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2N1	REAL300020171982	1	34	-1.0	-38.44	312.01	5.92	-32.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(=O)NC2=C1	REAL300020171983	0	34	-1.0	-40.44	297.21	2.29	-38.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(=O)NC2=C1	REAL300020171983	1	34	-1.0	-40.39	297.25	2.30	-38.09
CC1=CC=C(C2=NOC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)C=C1	REAL300020171984	0	39	-1.0	-42.73	340.61	7.13	-35.60
CC1=CC=C(C2=NOC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)C=C1	REAL300020171984	1	39	-1.0	-42.75	340.57	7.12	-35.63
CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)S(=O)(=O)C1=CC=CC=C1	REAL300020171985	0	41	-1.0	-41.71	359.71	3.90	-37.81
CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)S(=O)(=O)C1=CC=CC=C1	REAL300020171985	1	41	-1.0	-41.68	359.77	3.90	-37.78
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171986	0	47	-1.0	-40.91	387.09	9.95	-30.96
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171986	1	47	-1.0	-40.87	387.14	9.95	-30.92
CC(C)C1=NOC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020171987	0	40	-1.0	-39.82	341.40	3.62	-36.20
CC(C)C1=NOC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020171987	1	40	-1.0	-39.78	341.45	3.63	-36.15
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171988	0	41	-1.0	-49.57	366.38	5.99	-43.58
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171988	1	41	-1.0	-49.53	366.43	5.99	-43.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2F)C=C1	REAL300020171989	0	37	-1.0	-57.27	326.40	6.76	-50.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2F)C=C1	REAL300020171989	1	37	-1.0	-57.09	327.37	6.78	-50.31
CC1=NC(C)=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N1	REAL300020171990	0	38	-1.0	-51.58	323.09	3.31	-48.27
CC1=NC(C)=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N1	REAL300020171990	1	38	-1.0	-51.57	323.13	3.32	-48.25
CC1=CC=C(C2=NC(C)=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)O1	REAL300020171991	0	39	-1.0	-42.57	350.27	5.92	-36.65
CC1=CC=C(C2=NC(C)=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)S2)O1	REAL300020171991	1	39	-1.0	-42.57	350.23	5.92	-36.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300020171992	0	43	-1.0	-45.34	364.38	5.20	-40.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300020171992	1	43	-1.0	-45.32	364.43	5.21	-40.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1	REAL300020171993	0	42	-1.0	-51.43	367.70	7.97	-43.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1	REAL300020171993	1	42	-1.0	-51.43	367.66	7.97	-43.46
CC(C)(C)C1=NOC(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020171994	0	46	-1.0	-42.62	382.32	4.95	-37.67
CC(C)(C)C1=NOC(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020171994	1	46	-1.0	-42.65	382.36	4.96	-37.69
CC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171995	0	38	-1.0	-43.89	327.42	6.57	-37.32
CC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171995	1	38	-1.0	-43.83	327.47	6.58	-37.25
CN1C2=CC=CC=C2C(Br)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171996	0	37	-1.0	-37.92	331.48	7.80	-30.12
CN1C2=CC=CC=C2C(Br)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171996	1	37	-1.0	-37.94	331.49	7.81	-30.13
CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)S(=O)(=O)C1=CC=CN=C1	REAL300020171997	0	40	-1.0	-47.14	354.69	2.11	-45.03
CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)S(=O)(=O)C1=CC=CN=C1	REAL300020171997	1	40	-1.0	-47.13	354.65	2.09	-45.04
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020171998	0	35	-1.0	-42.96	321.11	0.49	-42.47
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020171998	1	35	-1.0	-42.93	321.16	0.50	-42.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCN(C(=O)N2CCCC2)C1	REAL300020171999	0	49	-1.0	-41.04	376.31	5.95	-35.09
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCN(C(=O)N2CCCC2)C1	REAL300020171999	1	49	-1.0	-41.06	376.35	5.95	-35.11
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172000	0	37	-1.0	-38.21	327.16	7.70	-30.51
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172000	1	37	-1.0	-38.18	327.28	7.71	-30.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300020172001	0	39	-1.0	-63.46	350.16	7.29	-56.17
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300020172001	1	39	-1.0	-63.88	351.13	7.30	-56.58
CC1=CC=C(C2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)O1	REAL300020172002	0	36	-1.0	-52.30	332.26	5.13	-47.17
CC1=CC=C(C2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)O1	REAL300020172002	1	36	-1.0	-52.35	332.22	5.12	-47.23
CC1=NOC(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020172003	0	37	-1.0	-42.59	320.60	3.33	-39.26
CC1=NOC(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020172003	1	37	-1.0	-42.53	320.64	3.35	-39.18
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172004	0	42	-1.0	-42.83	371.93	7.78	-35.05
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172004	1	42	-1.0	-42.82	371.98	7.78	-35.04
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=C1C(=O)CCC2	REAL300020172005	0	39	-1.0	-45.90	326.82	5.97	-39.93
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=C1C(=O)CCC2	REAL300020172005	1	39	-1.0	-45.90	326.86	5.97	-39.93
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1F	REAL300020172006	0	40	-1.0	-45.56	351.75	7.27	-38.29
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1F	REAL300020172006	1	40	-1.0	-45.51	351.79	7.27	-38.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OCC2=CC=CS2)=C1	REAL300020172007	0	41	-1.0	-42.65	362.97	7.83	-34.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OCC2=CC=CS2)=C1	REAL300020172007	1	41	-1.0	-42.65	363.02	7.83	-34.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020172008	0	37	-2.0	-83.66	326.88	0.73	-82.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020172008	1	37	-2.0	-83.71	326.84	0.73	-82.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(CC2=CC=CC=C2)=N1	REAL300020172009	0	39	-1.0	-48.85	352.11	6.97	-41.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(CC2=CC=CC=C2)=N1	REAL300020172009	1	39	-1.0	-48.81	352.15	6.97	-41.84
CC(C)NC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172010	0	45	-1.0	-52.16	374.10	4.67	-47.49
CC(C)NC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172010	1	45	-1.0	-52.16	374.14	4.67	-47.49
CCC(CC)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020172011	0	46	-1.0	-40.88	363.29	6.80	-34.08
CCC(CC)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020172011	1	46	-1.0	-40.88	363.34	6.82	-34.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=CC(Cl)=C2)=N1	REAL300020172012	0	36	-1.0	-50.37	344.54	6.78	-43.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=CC(Cl)=C2)=N1	REAL300020172012	1	36	-1.0	-50.38	344.49	6.78	-43.60
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C12	REAL300020172013	0	47	-1.0	-36.55	384.32	5.84	-30.71
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C12	REAL300020172013	1	47	-1.0	-36.54	384.37	5.85	-30.69
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C12	REAL300020172014	0	47	-1.0	-36.48	378.19	5.81	-30.67
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C12	REAL300020172014	1	47	-1.0	-36.48	378.23	5.82	-30.66
CC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172015	0	35	-1.0	-40.34	304.21	5.97	-34.37
CC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172015	1	35	-1.0	-40.34	304.26	5.97	-34.37
O=C(CCNC(=O)OCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172016	0	44	-1.0	-42.77	379.54	4.87	-37.90
O=C(CCNC(=O)OCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172016	1	44	-1.0	-42.69	379.58	4.87	-37.82
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL300020172017	0	43	-1.0	-44.55	363.33	7.56	-36.99
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL300020172017	1	43	-1.0	-44.51	363.37	7.57	-36.94
NC(=S)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172018	0	34	-1.0	-42.73	309.16	4.71	-38.02
NC(=S)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172018	1	34	-1.0	-42.71	309.20	4.71	-38.00
O=C(C=CC1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172019	0	34	-1.0	-44.16	309.74	6.85	-37.31
O=C(C=CC1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172019	1	34	-1.0	-44.17	309.78	6.85	-37.32
O=C(CCCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172020	0	39	-1.0	-39.64	329.04	7.75	-31.89
O=C(CCCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172020	1	39	-1.0	-39.62	329.08	7.75	-31.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=CNC2=CC=C1	REAL300020172021	0	34	-1.0	-46.82	289.58	5.47	-41.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=CNC2=CC=C1	REAL300020172021	1	34	-1.0	-46.78	289.63	5.46	-41.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(Br)=C1	REAL300020172022	0	30	-1.0	-36.74	289.21	6.17	-30.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(Br)=C1	REAL300020172022	1	30	-1.0	-36.72	289.26	6.18	-30.54
O=C(CCOC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172023	0	37	-1.0	-37.85	332.72	6.30	-31.55
O=C(CCOC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172023	1	37	-1.0	-37.80	332.77	6.31	-31.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2C=CN=C2)C=C1	REAL300020172024	0	40	-1.0	-45.61	344.77	8.75	-36.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2C=CN=C2)C=C1	REAL300020172024	1	40	-1.0	-45.62	344.82	8.75	-36.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)C2=CC=CC=C2N1	REAL300020172025	0	34	-1.0	-39.45	313.63	6.04	-33.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C2=CC=CC=C2N1	REAL300020172025	1	34	-1.0	-39.38	313.68	6.04	-33.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL300020172026	0	40	-1.0	-42.07	340.12	8.96	-33.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL300020172026	1	40	-1.0	-42.06	340.17	8.96	-33.10
O=C(CCOCC1CCCO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172027	0	41	-1.0	-41.32	338.72	3.67	-37.65
O=C(CCOCC1CCCO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172027	1	41	-1.0	-41.25	338.76	3.67	-37.58
O=C(COCCOC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172028	0	41	-1.0	-45.01	350.55	6.21	-38.80
O=C(COCCOC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172028	1	41	-1.0	-44.96	350.59	6.21	-38.75
COC1=CC=CC(COCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172029	0	41	-1.0	-43.68	350.11	5.75	-37.93
COC1=CC=CC(COCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172029	1	41	-1.0	-43.73	350.16	5.76	-37.97
CC1=CC=C(N2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=N2)C=C1	REAL300020172030	0	39	-1.0	-48.63	340.23	5.85	-42.78
CC1=CC=C(N2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=N2)C=C1	REAL300020172030	1	39	-1.0	-48.71	340.19	5.85	-42.86
COCCS(=O)(=O)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172031	0	36	-1.0	-48.42	322.80	0.12	-48.30
COCCS(=O)(=O)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172031	1	36	-1.0	-48.36	322.85	0.13	-48.23
O=C(CC1=CC2=CC=CC=C2NC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172032	0	39	-1.0	-46.85	335.47	5.20	-41.65
O=C(CC1=CC2=CC=CC=C2NC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172032	1	39	-1.0	-46.86	335.51	5.20	-41.66
CC1=CC2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C(=O)N2C=C1	REAL300020172033	0	38	-1.0	-57.52	324.76	6.29	-51.23
CC1=CC2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C(=O)N2C=C1	REAL300020172033	1	38	-1.0	-57.52	324.85	6.27	-51.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2=CC=CC=C2)S1	REAL300020172034	0	36	-1.0	-41.14	328.32	6.39	-34.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2=CC=CC=C2)S1	REAL300020172034	1	36	-1.0	-41.13	328.29	6.39	-34.74
O=C(CCCN1C(=O)CCC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172035	0	39	-1.0	-48.00	334.36	4.41	-43.59
O=C(CCCN1C(=O)CCC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172035	1	39	-1.0	-47.96	334.41	4.42	-43.54
O=C(CCOC1=CC=C(F)C(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172036	0	37	-1.0	-38.39	338.58	6.35	-32.04
O=C(CCOC1=CC=C(F)C(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172036	1	37	-1.0	-38.43	338.63	6.36	-32.07
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C2=CC=CS2)O1	REAL300020172037	0	36	-1.0	-46.87	330.71	3.72	-43.15
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2=CC=CS2)O1	REAL300020172037	1	36	-1.0	-46.91	330.67	3.71	-43.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL300020172038	0	36	-1.0	-41.05	326.59	6.54	-34.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL300020172038	1	36	-1.0	-41.13	326.55	6.54	-34.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C(=O)N2CCCC2)CC1	REAL300020172039	0	49	-1.0	-43.22	375.60	5.72	-37.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C(=O)N2CCCC2)CC1	REAL300020172039	1	49	-1.0	-43.28	375.65	5.72	-37.56
O=C(CCS(=O)(=O)C1=CC=C2CCCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172040	0	46	-1.0	-45.85	392.34	5.88	-39.97
O=C(CCS(=O)(=O)C1=CC=C2CCCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172040	1	46	-1.0	-45.82	392.38	5.89	-39.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC(Br)=C2O1	REAL300020172041	0	33	-1.0	-46.86	314.02	6.49	-40.37
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC(Br)=C2O1	REAL300020172041	1	33	-1.0	-46.86	313.05	6.48	-40.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2F)C2=C1CCC2	REAL300020172042	0	44	-1.0	-59.54	377.52	8.65	-50.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2F)C2=C1CCC2	REAL300020172042	1	44	-1.0	-57.16	376.59	8.63	-48.53
CC(C)CC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172043	0	50	-1.0	-42.26	408.86	9.47	-32.79
CC(C)CC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172043	1	50	-1.0	-42.20	408.91	9.48	-32.72
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172044	0	38	-1.0	-45.58	341.88	6.40	-39.18
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172044	1	38	-1.0	-45.55	341.84	6.41	-39.14
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172045	0	45	-1.0	-51.64	392.03	5.65	-45.99
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172045	1	45	-1.0	-51.62	392.08	5.66	-45.96
CCN1CCN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)C1=O	REAL300020172046	0	41	-1.0	-50.00	346.46	4.49	-45.51
CCN1CCN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)C1=O	REAL300020172046	1	41	-1.0	-49.96	346.51	4.50	-45.46
COC1=CC=C2NC=C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020172047	0	41	-1.0	-44.84	346.59	5.48	-39.36
COC1=CC=C2NC=C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020172047	1	41	-1.0	-44.80	346.63	5.48	-39.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C2=NC=CC=N2)CC1	REAL300020172048	0	43	-1.0	-42.58	349.67	6.27	-36.31
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C2=NC=CC=N2)CC1	REAL300020172048	1	43	-1.0	-42.62	349.62	6.27	-36.35
O=C(CCC(=O)C1=CC=CC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172049	0	44	-1.0	-45.78	369.52	9.05	-36.73
O=C(CCC(=O)C1=CC=CC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172049	1	44	-1.0	-45.75	369.57	9.05	-36.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1	REAL300020172050	0	39	-1.0	-38.98	347.59	8.64	-30.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1	REAL300020172050	1	39	-1.0	-38.98	347.62	8.64	-30.34
CCC1=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020172051	0	40	-1.0	-38.66	349.52	7.73	-30.93
CCC1=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020172051	1	40	-1.0	-38.62	349.56	7.73	-30.89
CC(OC1=CC=C2CCCC2=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172052	0	44	-1.0	-40.08	357.76	8.46	-31.62
CC(OC1=CC=C2CCCC2=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172052	1	44	-1.0	-40.02	357.80	8.46	-31.56
O=C(CCCC1=NC(C2=CC=C(F)C=C2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172053	0	44	-1.0	-42.53	386.37	6.46	-36.07
O=C(CCCC1=NC(C2=CC=C(F)C=C2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172053	1	44	-1.0	-42.50	386.33	6.44	-36.06
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172054	0	37	-1.0	-40.06	344.14	7.53	-32.53
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172054	1	37	-1.0	-40.02	344.19	7.54	-32.48
O=C(CCCC1=NC(C2=CC=CS2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172055	0	41	-1.0	-44.67	370.87	5.39	-39.28
O=C(CCCC1=NC(C2=CC=CS2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172055	1	41	-1.0	-44.66	370.83	5.38	-39.28
COC1=CC(OC)=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=C1OC	REAL300020172056	0	46	-1.0	-44.64	387.40	4.05	-40.59
COC1=CC(OC)=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=C1OC	REAL300020172056	1	46	-1.0	-44.62	387.44	4.04	-40.58
COC1=CC=CC(COC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172057	0	44	-1.0	-44.11	369.59	6.44	-37.67
COC1=CC=CC(COC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172057	1	44	-1.0	-44.04	369.63	6.45	-37.59
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172058	0	44	-1.0	-46.24	380.56	3.71	-42.53
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172058	1	44	-1.0	-46.20	380.61	3.72	-42.48
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C(C)C)=N1	REAL300020172059	0	38	-1.0	-40.01	328.78	5.28	-34.73
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C(C)C)=N1	REAL300020172059	1	38	-1.0	-39.97	328.82	5.28	-34.69
CCCC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020172060	0	38	-1.0	-39.82	330.59	5.50	-34.32
CCCC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020172060	1	38	-1.0	-39.81	330.63	5.50	-34.31
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172061	0	45	-1.0	-44.43	384.21	6.22	-38.21
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172061	1	45	-1.0	-44.47	384.26	6.23	-38.24
N#CC1=CC=CC=C1COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172062	0	45	-1.0	-46.11	390.15	9.17	-36.94
N#CC1=CC=CC=C1COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172062	1	45	-1.0	-46.09	390.19	9.17	-36.92
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C=CNC2=C1	REAL300020172063	0	34	-1.0	-44.53	292.74	5.51	-39.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C=CNC2=C1	REAL300020172063	1	34	-1.0	-44.48	292.78	5.51	-38.97
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2CCOC2=O)C=C1	REAL300020172064	0	39	-1.0	-45.88	330.04	5.56	-40.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2CCOC2=O)C=C1	REAL300020172064	1	39	-1.0	-45.85	330.09	5.55	-40.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL300020172065	0	39	-1.0	-42.14	350.72	7.30	-34.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL300020172065	1	39	-1.0	-42.21	350.68	7.29	-34.92
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2CCNC2=O)=C1	REAL300020172066	0	40	-1.0	-55.42	334.37	4.19	-51.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2CCNC2=O)=C1	REAL300020172066	1	40	-1.0	-55.41	334.41	4.20	-51.21
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020172067	0	42	-1.0	-44.76	350.47	6.90	-37.86
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC1	REAL300020172067	1	42	-1.0	-44.70	350.51	6.91	-37.79
CC1=CC(NC(=O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020172068	0	33	-1.0	-41.88	294.98	2.91	-38.97
CC1=CC(NC(=O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020172068	1	33	-1.0	-41.52	294.01	2.90	-38.62
CC(C)OC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020172069	0	39	-1.0	-39.98	330.65	4.04	-35.94
CC(C)OC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020172069	1	39	-1.0	-39.98	330.61	4.04	-35.94
O=C(CC1=NN2C=CC=NC2=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172070	0	34	-1.0	-54.59	302.33	6.04	-48.55
O=C(CC1=NN2C=CC=NC2=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172070	1	34	-1.0	-54.62	302.36	6.04	-48.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300020172071	0	35	-1.0	-38.31	312.12	0.96	-37.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300020172071	1	35	-1.0	-38.28	312.16	0.96	-37.32
CC(C)CS(=O)(=O)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172072	0	41	-1.0	-46.75	347.99	3.21	-43.54
CC(C)CS(=O)(=O)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172072	1	41	-1.0	-46.69	348.03	3.21	-43.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(Br)N1	REAL300020172073	0	28	-1.0	-35.30	286.93	4.27	-31.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(Br)N1	REAL300020172073	1	28	-1.0	-35.21	285.97	4.24	-30.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=CC=C2)=NO1	REAL300020172074	0	36	-1.0	-43.11	320.22	6.48	-36.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=CC=C2)=NO1	REAL300020172074	1	36	-1.0	-43.13	320.17	6.47	-36.66
O=C(CC1=CC=C(OC(F)(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172075	0	37	-1.0	-37.81	332.13	5.95	-31.86
O=C(CC1=CC=C(OC(F)(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172075	1	37	-1.0	-37.81	332.18	5.96	-31.85
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020172076	0	44	-1.0	-42.44	368.85	7.88	-34.56
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020172076	1	44	-1.0	-42.50	368.81	7.87	-34.63
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172077	0	46	-1.0	-41.72	387.86	8.30	-33.42
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172077	1	46	-1.0	-41.72	387.91	8.30	-33.42
N#CC1=CC=C(CSCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172078	0	38	-1.0	-41.42	351.41	7.92	-33.50
N#CC1=CC=C(CSCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172078	1	38	-1.0	-41.44	351.45	7.93	-33.51
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020172079	0	44	-1.0	-47.12	373.51	4.74	-42.38
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020172079	1	44	-1.0	-47.18	373.46	4.74	-42.44
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC(F)F	REAL300020172080	0	38	-1.0	-43.93	329.88	4.98	-38.95
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC(F)F	REAL300020172080	1	38	-1.0	-43.95	329.92	4.99	-38.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2CCOC2=O)=C1	REAL300020172081	0	39	-1.0	-54.33	330.24	5.54	-48.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2CCOC2=O)=C1	REAL300020172081	1	39	-1.0	-54.36	330.28	5.54	-48.82
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C(C)(C)C	REAL300020172082	0	42	-1.0	-44.32	334.32	5.47	-38.85
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C(C)(C)C	REAL300020172082	1	42	-1.0	-44.33	334.37	5.48	-38.85
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)C=C1	REAL300020172083	0	40	-1.0	-41.83	340.72	7.26	-34.57
CC1=NN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C=C1	REAL300020172083	1	40	-1.0	-41.84	340.77	7.26	-34.58
CC1=NN(C2=CC=C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)C(C)=C1	REAL300020172084	0	46	-1.0	-42.72	385.22	8.35	-34.37
CC1=NN(C2=CC=C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C(C)=C1	REAL300020172084	1	46	-1.0	-42.67	385.26	8.35	-34.32
O=C(CS(=O)(=O)C1CCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172085	0	39	-1.0	-49.10	331.04	2.97	-46.13
O=C(CS(=O)(=O)C1CCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172085	1	39	-1.0	-49.13	331.08	2.99	-46.14
CCOC1=CC=CC2=C1OCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2	REAL300020172086	0	43	-1.0	-47.10	357.41	6.72	-40.38
CCOC1=CC=CC2=C1OCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=C2	REAL300020172086	1	43	-1.0	-47.10	357.45	6.73	-40.37
COC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020172087	0	41	-1.0	-46.93	352.53	4.91	-42.02
COC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020172087	1	41	-1.0	-46.89	352.58	4.91	-41.98
COC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NN2)C(OC)=C1	REAL300020172088	0	45	-1.0	-46.99	381.96	4.20	-42.79
COC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NN2)C(OC)=C1	REAL300020172088	1	45	-1.0	-46.99	382.00	4.22	-42.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC=CS2)=C1	REAL300020172089	0	34	-1.0	-44.82	314.90	4.54	-40.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2=CC=CS2)=C1	REAL300020172089	1	34	-1.0	-44.75	314.95	4.54	-40.21
COC1=CC(C#N)=CC=C1OCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172090	0	45	-1.0	-43.70	387.52	6.86	-36.84
COC1=CC(C#N)=CC=C1OCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172090	1	45	-1.0	-43.67	387.57	6.87	-36.80
CC(C)CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020172091	0	39	-1.0	-45.50	327.92	4.56	-40.94
CC(C)CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020172091	1	39	-1.0	-45.46	327.96	4.56	-40.90
COCCOC(=O)C1=C(C)NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020172092	0	47	-1.0	-41.93	399.85	5.35	-36.58
COCCOC(=O)C1=C(C)NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020172092	1	47	-1.0	-41.86	399.89	5.36	-36.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL300020172093	0	35	-1.0	-40.35	319.83	6.53	-33.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL300020172093	1	35	-1.0	-40.39	319.88	6.53	-33.86
CCC(OC1=CC=CC=C1C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172094	0	43	-1.0	-40.18	346.40	7.85	-32.33
CCC(OC1=CC=CC=C1C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172094	1	43	-1.0	-40.00	345.33	7.83	-32.17
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC=C3OCOC3=C2)=C1	REAL300020172095	0	40	-1.0	-46.51	347.69	4.07	-42.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2=CC=C3OCOC3=C2)=C1	REAL300020172095	1	40	-1.0	-46.52	347.74	4.07	-42.45
CCOC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020172096	0	44	-1.0	-46.85	374.39	5.84	-41.01
CCOC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020172096	1	44	-1.0	-46.84	374.44	5.85	-40.99
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172097	0	40	-1.0	-44.22	344.53	7.37	-36.85
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172097	1	40	-1.0	-44.21	344.48	7.36	-36.85
O=C(CCCOC1=CC=CC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172098	0	46	-1.0	-42.35	382.53	8.88	-33.47
O=C(CCCOC1=CC=CC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172098	1	46	-1.0	-42.31	382.57	8.89	-33.42
COC1=CC=C2C(=C1)C=CN2CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172099	0	41	-1.0	-42.13	347.82	6.91	-35.22
COC1=CC=C2C(=C1)C=CN2CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172099	1	41	-1.0	-42.14	347.87	6.90	-35.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL300020172100	0	34	-1.0	-37.10	327.01	6.36	-30.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL300020172100	1	34	-1.0	-37.04	326.05	6.35	-30.69
CC(OC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020172101	0	46	-1.0	-40.80	389.52	7.08	-33.72
CC(OC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020172101	1	46	-1.0	-40.82	389.48	7.08	-33.74
CC1=CC=C(C)N1C1=NC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020172102	0	43	-1.0	-46.17	367.08	8.50	-37.67
CC1=CC=C(C)N1C1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020172102	1	43	-1.0	-46.18	367.13	8.51	-37.67
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CC1=NN(C(C)CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020172123	1	42	-1.0	-40.33	346.76	5.86	-34.47
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COC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020172125	1	35	-1.0	-47.03	314.46	4.38	-42.65
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COC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172131	1	36	-1.0	-42.43	316.32	6.15	-36.28
CC(NC(=O)C1CCCC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172132	0	43	-1.0	-42.35	347.49	4.39	-37.96
CC(NC(=O)C1CCCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172132	1	43	-1.0	-42.34	347.54	4.39	-37.95
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CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=NC2=NN1	REAL300020172137	0	35	-1.0	-50.17	304.56	4.02	-46.15
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CCCCS(=O)(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020172153	1	50	-1.0	-41.90	406.88	4.61	-37.29
O=C(COC1CCCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172154	0	40	-1.0	-39.74	322.59	6.05	-33.69
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CC(C)(C)N1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C1CC1	REAL300020172155	0	46	-1.0	-48.99	369.79	6.96	-42.03
CC(C)(C)N1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C1CC1	REAL300020172155	1	46	-1.0	-49.02	369.83	6.96	-42.06
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C2=CC=CC=C2N1	REAL300020172156	1	34	-1.0	-39.69	309.64	5.92	-33.77
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O=C(CN1CCCS1(=O)=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172158	0	35	-1.0	-51.81	308.54	0.95	-50.86
O=C(CN1CCCS1(=O)=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172158	1	35	-1.0	-51.80	308.58	0.97	-50.83
CC(SCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172159	0	40	-1.0	-40.57	347.99	8.07	-32.50
CC(SCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172159	1	40	-1.0	-40.53	348.03	8.07	-32.46
CCCOC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172160	0	40	-1.0	-41.23	334.33	6.51	-34.72
CCCOC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172160	1	40	-1.0	-41.19	334.38	6.51	-34.68
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC([N+](=O)[O-])=C1	REAL300020172162	1	29	-1.0	-36.79	281.86	5.23	-31.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1	REAL300020172163	0	44	-1.0	-40.17	379.26	6.61	-33.56
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC(C(F)(F)F)C1	REAL300020172164	0	39	-1.0	-37.89	323.92	6.62	-31.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC(C(F)(F)F)C1	REAL300020172164	1	39	-1.0	-37.93	323.97	6.62	-31.31
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CC=CC=C1	REAL300020172165	1	33	-1.0	-42.39	295.70	6.24	-36.15
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(C2=CC=CC=C2)=NO1	REAL300020172166	1	38	-1.0	-43.56	329.33	6.77	-36.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300020172167	0	37	-1.0	-41.32	339.25	7.16	-34.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300020172167	1	37	-1.0	-41.36	339.20	7.14	-34.22
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172168	0	49	-1.0	-39.91	391.28	9.14	-30.77
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172168	1	49	-1.0	-40.57	392.90	9.17	-31.40
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172169	0	49	-1.0	-40.28	389.60	8.95	-31.33
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172169	1	49	-1.0	-40.06	388.83	8.95	-31.11
CC1=CC(OC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(C)C	REAL300020172170	0	49	-1.0	-40.24	390.16	9.08	-31.16
CC1=CC(OC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(C)C	REAL300020172170	1	49	-1.0	-40.19	390.21	9.09	-31.10
CC(C)OC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172171	0	44	-1.0	-41.12	366.05	7.58	-33.54
CC(C)OC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172171	1	44	-1.0	-41.08	366.10	7.58	-33.50
CCCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172172	0	44	-1.0	-40.79	368.78	7.71	-33.08
CCCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172172	1	44	-1.0	-40.75	368.83	7.71	-33.04
O=C(CC(F)(F)F)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172173	0	33	-1.0	-43.14	302.52	2.10	-41.04
O=C(CC(F)(F)F)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172173	1	33	-1.0	-43.15	302.57	2.10	-41.05
CC1=NN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1Cl	REAL300020172174	0	36	-1.0	-41.58	324.01	5.08	-36.50
CC1=NN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1Cl	REAL300020172174	1	36	-1.0	-39.16	325.07	5.10	-34.06
COCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC1=O	REAL300020172175	0	40	-1.0	-45.92	339.42	4.86	-41.06
COCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC1=O	REAL300020172175	1	40	-1.0	-45.95	339.46	4.87	-41.08
O=C(CCC1=CC=C(Cl)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172176	0	33	-1.0	-38.12	313.78	6.65	-31.47
O=C(CCC1=CC=C(Cl)S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172176	1	33	-1.0	-38.10	313.82	6.65	-31.45
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300020172177	0	39	-1.0	-48.78	333.11	3.58	-45.20
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300020172177	1	39	-1.0	-48.74	333.16	3.58	-45.16
O=C(CNC(=O)CC1=CC=CC(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172178	0	40	-1.0	-43.48	350.50	4.70	-38.78
O=C(CNC(=O)CC1=CC=CC(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172178	1	40	-1.0	-43.48	350.54	4.70	-38.78
CC(C)C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172179	0	45	-1.0	-38.90	367.75	8.89	-30.01
CC(C)C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172179	1	45	-1.0	-38.87	367.79	8.90	-29.97
O=C(COC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172180	0	37	-1.0	-38.66	333.77	6.95	-31.71
O=C(COC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172180	1	37	-1.0	-38.64	333.82	6.96	-31.68
CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020172181	0	36	-1.0	-39.97	310.51	3.14	-36.83
CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020172181	1	36	-1.0	-39.95	310.47	3.14	-36.81
O=C(CCN1CCCS1(=O)=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172182	0	38	-1.0	-52.44	329.78	1.49	-50.95
O=C(CCN1CCCS1(=O)=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172182	1	38	-1.0	-52.39	329.83	1.49	-50.90
O=C(CC1=CSC(C2=NC=CC=N2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172183	0	37	-1.0	-51.50	340.51	4.45	-47.05
O=C(CC1=CSC(C2=NC=CC=N2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172183	1	37	-1.0	-51.51	340.56	4.45	-47.06
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=NC=CC=N2)=N1	REAL300020172184	0	37	-1.0	-46.68	337.23	4.38	-42.30
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=NC=CC=N2)=N1	REAL300020172184	1	37	-1.0	-46.65	337.28	4.38	-42.27
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC1CCCC1	REAL300020172185	0	48	-1.0	-40.71	384.93	7.61	-33.10
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC1CCCC1	REAL300020172185	1	48	-1.0	-40.50	384.70	7.57	-32.93
CC(SC1=NN=CN1C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172186	0	36	-1.0	-45.91	320.63	6.57	-39.34
CC(SC1=NN=CN1C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172186	1	36	-1.0	-45.82	319.57	6.54	-39.28
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172187	0	37	-1.0	-38.44	344.87	7.51	-30.93
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172187	1	37	-1.0	-38.42	344.91	7.51	-30.91
COC1=CC=C(COCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172188	0	41	-1.0	-42.41	350.11	5.75	-36.66
COC1=CC=C(COCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172188	1	41	-1.0	-42.41	350.15	5.76	-36.65
CN1C=C(C2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)C=N1	REAL300020172189	0	36	-1.0	-52.33	333.50	4.07	-48.26
CN1C=C(C2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)C=N1	REAL300020172189	1	36	-1.0	-52.34	333.46	4.07	-48.27
O=C(CN1C=C(Br)C=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172190	0	30	-1.0	-39.93	287.06	4.18	-35.75
O=C(CN1C=C(Br)C=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172190	1	30	-1.0	-39.97	287.02	4.18	-35.79
CC(NC(=O)C1=COC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172191	0	37	-1.0	-45.08	323.23	2.77	-42.31
CC(NC(=O)C1=COC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172191	1	37	-1.0	-45.10	323.27	2.78	-42.32
CC1=CC(C)=C(C(=O)CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020172192	0	50	-1.0	-44.29	410.02	9.42	-34.87
CC1=CC(C)=C(C(=O)CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020172192	1	50	-1.0	-44.28	410.06	9.42	-34.86
CCN1C(=O)NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2C1=O	REAL300020172193	0	42	-1.0	-39.79	357.41	5.00	-34.79
CCN1C(=O)NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2C1=O	REAL300020172193	1	42	-1.0	-39.74	357.45	5.00	-34.74
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020172194	0	39	-1.0	-45.55	348.38	4.24	-41.31
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020172194	1	39	-1.0	-45.54	348.42	4.26	-41.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2NC(=O)C3=CC=CC=C3N2N=C1	REAL300020172195	0	39	-1.0	-43.07	339.72	5.33	-37.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2NC(=O)C3=CC=CC=C3N2N=C1	REAL300020172195	1	39	-1.0	-43.07	339.77	5.34	-37.73
CC1=NC2=CC=NN2C(C)=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172196	0	44	-1.0	-42.70	363.91	6.76	-35.94
CC1=NC2=CC=NN2C(C)=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172196	1	44	-1.0	-42.71	363.94	6.77	-35.94
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172197	0	39	-1.0	-46.61	342.02	7.22	-39.39
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172197	1	39	-1.0	-46.56	342.06	7.23	-39.33
CCOC1=CC=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=C1	REAL300020172198	0	41	-1.0	-42.08	346.51	5.64	-36.44
CCOC1=CC=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=C1	REAL300020172198	1	41	-1.0	-42.03	345.54	5.62	-36.41
CC1=CC(OC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020172199	0	40	-1.0	-38.22	348.40	7.63	-30.59
CC1=CC(OC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020172199	1	40	-1.0	-38.21	348.44	7.63	-30.58
CCC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172200	0	40	-1.0	-50.39	337.89	5.20	-45.19
CCC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172200	1	40	-1.0	-50.38	337.94	5.20	-45.18
O=C(CCCOCCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172201	0	46	-1.0	-40.20	384.57	7.81	-32.39
O=C(CCCOCCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172201	1	46	-1.0	-40.20	384.61	7.81	-32.39
CCC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020172202	0	43	-1.0	-51.17	341.95	5.26	-45.91
CCC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020172202	1	43	-1.0	-51.15	342.00	5.26	-45.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCO2	REAL300020172203	0	33	-1.0	-43.54	286.87	4.69	-38.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCO2	REAL300020172203	1	33	-1.0	-43.52	286.91	4.70	-38.82
CC1=CC=C(C(C)C)C(OC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172204	0	49	-1.0	-40.25	391.02	9.15	-31.10
CC1=CC=C(C(C)C)C(OC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172204	1	49	-1.0	-41.16	392.64	9.19	-31.97
CC1=CC=C(Cl)C(OC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172205	0	40	-1.0	-40.57	350.38	7.73	-32.84
CC1=CC=C(Cl)C(OC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172205	1	40	-1.0	-40.55	350.43	7.74	-32.81
CC(C)C1=CC(OC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1	REAL300020172206	0	46	-1.0	-39.78	372.44	8.46	-31.32
CC(C)C1=CC(OC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1	REAL300020172206	1	46	-1.0	-39.71	372.49	8.46	-31.25
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)N=CS1	REAL300020172207	1	26	-1.0	-39.33	262.60	3.08	-36.25
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NC2=CC=CC=C12	REAL300020172208	0	38	-1.0	-49.68	321.89	6.44	-43.24
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NC2=CC=CC=C12	REAL300020172208	1	38	-1.0	-49.69	321.94	6.44	-43.25
N#CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172209	0	35	-1.0	-41.14	314.88	6.32	-34.82
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CCNS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172210	0	41	-1.0	-49.80	363.67	2.58	-47.22
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172210	1	41	-1.0	-49.79	363.71	2.59	-47.20
COC1=CC=C2OC(C)=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020172211	0	40	-1.0	-49.12	343.23	5.80	-43.32
COC1=CC=C2OC(C)=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020172211	1	40	-1.0	-49.12	343.27	5.80	-43.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=NC=C2)=C1	REAL300020172212	0	35	-1.0	-44.57	314.37	4.73	-39.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C2=CC=NC=C2)=C1	REAL300020172212	1	35	-1.0	-44.56	314.41	4.73	-39.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CN=CO2)C=C1	REAL300020172213	0	36	-1.0	-42.26	315.82	3.88	-38.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CN=CO2)C=C1	REAL300020172213	1	36	-1.0	-42.32	314.77	3.86	-38.46
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020172214	0	42	-1.0	-50.77	376.74	7.34	-43.43
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020172214	1	42	-1.0	-50.72	376.77	7.34	-43.38
CC(C)SC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172215	0	40	-1.0	-39.40	339.17	7.88	-31.52
CC(C)SC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172215	1	40	-1.0	-39.36	339.22	7.88	-31.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(SCC2=CC=CC=C2)C=C1	REAL300020172216	0	44	-1.0	-40.60	382.90	10.37	-30.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(SCC2=CC=CC=C2)C=C1	REAL300020172216	1	44	-1.0	-40.55	382.95	10.37	-30.18
O=C(CSCC1=CC=CC=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172217	0	36	-1.0	-42.33	325.54	5.68	-36.65
O=C(CSCC1=CC=CC=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172217	1	36	-1.0	-42.29	325.58	5.69	-36.60
O=C(CSCC1=CC=NC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172218	0	36	-1.0	-40.87	325.45	5.77	-35.10
O=C(CSCC1=CC=NC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172218	1	36	-1.0	-40.85	325.49	5.77	-35.08
CC1=NN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1Br	REAL300020172219	0	36	-1.0	-41.63	327.97	5.17	-36.46
CC1=NN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1Br	REAL300020172219	1	36	-1.0	-39.22	329.03	5.19	-34.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(N2C=CN=C2)=C1	REAL300020172220	0	36	-1.0	-38.94	314.87	7.18	-31.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(N2C=CN=C2)=C1	REAL300020172220	1	36	-1.0	-38.96	314.91	7.18	-31.78
O=C(CCSCC1=CC=CC=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172221	0	39	-1.0	-41.57	347.21	6.48	-35.09
O=C(CCSCC1=CC=CC=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172221	1	39	-1.0	-41.58	347.25	6.49	-35.09
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1	REAL300020172222	0	41	-1.0	-39.31	357.90	6.92	-32.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1	REAL300020172222	1	41	-1.0	-39.27	357.95	6.93	-32.34
COC1=CC=C(Cl)C=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172223	0	38	-1.0	-43.00	341.09	6.56	-36.44
COC1=CC=C(Cl)C=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172223	1	38	-1.0	-42.99	341.13	6.56	-36.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL300020172224	0	36	-1.0	-51.02	321.12	6.17	-44.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL300020172224	1	36	-1.0	-50.99	321.16	6.18	-44.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC2=C1CCCC2	REAL300020172225	0	36	-1.0	-46.72	301.99	5.45	-41.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC2=C1CCCC2	REAL300020172225	1	36	-1.0	-46.72	302.03	5.47	-41.25
COC1=CC=C(C(=O)CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172226	0	45	-1.0	-46.15	378.57	6.89	-39.26
COC1=CC=C(C(=O)CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172226	1	45	-1.0	-46.07	378.61	6.89	-39.18
CC(SC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172227	0	37	-1.0	-40.54	335.93	7.53	-33.01
CC(SC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172227	1	37	-1.0	-40.53	335.98	7.54	-32.99
CC(=O)NC1=CC=C(SC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172228	0	44	-1.0	-45.78	383.03	6.15	-39.63
CC(=O)NC1=CC=C(SC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172228	1	44	-1.0	-46.72	384.08	6.19	-40.53
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172229	0	37	-1.0	-39.50	354.64	8.02	-31.48
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172229	1	37	-1.0	-39.54	354.68	8.03	-31.51
COC1=CC=C(SC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172230	0	41	-1.0	-40.96	355.95	6.57	-34.39
COC1=CC=C(SC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172230	1	41	-1.0	-39.83	357.00	6.60	-33.23
O=C(CCCOC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172231	0	40	-1.0	-39.41	354.24	7.08	-32.33
O=C(CCCOC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172231	1	40	-1.0	-39.40	354.29	7.08	-32.32
O=C(CCOC1=CC=CC=C1Br)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172232	0	37	-1.0	-40.12	336.41	6.45	-33.67
O=C(CCOC1=CC=CC=C1Br)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172232	1	37	-1.0	-40.10	336.46	6.47	-33.63
O=C(CCOC1=CC=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172233	0	37	-1.0	-38.09	348.75	6.85	-31.24
O=C(CCOC1=CC=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172233	1	37	-1.0	-38.09	348.80	6.86	-31.23
O=C(CC1CCCC(C(F)(F)F)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172234	0	42	-1.0	-38.01	343.34	7.35	-30.66
O=C(CC1CCCC(C(F)(F)F)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172234	1	42	-1.0	-38.05	343.39	7.36	-30.69
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172235	0	45	-1.0	-45.64	378.56	7.93	-37.71
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172235	1	45	-1.0	-45.66	378.52	7.92	-37.74
O=C(CCC1=CC=CC=C1Br)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172236	0	36	-1.0	-40.57	322.71	7.38	-33.19
O=C(CCC1=CC=CC=C1Br)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172236	1	36	-1.0	-40.57	322.73	7.38	-33.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1Cl	REAL300020172237	0	30	-1.0	-36.86	295.31	6.60	-30.26
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1Cl	REAL300020172237	1	30	-1.0	-36.81	295.36	6.61	-30.20
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC(C)(C)C	REAL300020172238	0	44	-1.0	-37.97	334.45	6.81	-31.16
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300020172238	1	44	-1.0	-38.02	334.50	6.82	-31.20
CC1=CC(Br)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172239	0	33	-1.0	-37.60	298.62	6.78	-30.82
CC1=CC(Br)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172239	1	33	-1.0	-37.64	298.67	6.78	-30.86
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172240	0	39	-1.0	-39.86	360.94	8.71	-31.15
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172240	1	39	-1.0	-39.82	360.98	8.72	-31.10
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C=C(Br)C=N1	REAL300020172241	0	33	-1.0	-39.85	305.84	4.66	-35.19
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C=C(Br)C=N1	REAL300020172241	1	33	-1.0	-39.88	305.79	4.65	-35.23
CC(C)NC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172242	0	45	-1.0	-46.12	374.68	4.65	-41.47
CC(C)NC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172242	1	45	-1.0	-46.11	374.73	4.66	-41.45
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172243	0	42	-1.0	-48.26	361.40	6.55	-41.71
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172243	1	42	-1.0	-48.19	361.45	6.55	-41.64
COC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172244	0	38	-1.0	-42.13	324.53	5.25	-36.88
COC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172244	1	38	-1.0	-42.14	324.58	5.26	-36.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(OC(F)(F)F)C=C2N1	REAL300020172245	0	38	-1.0	-38.03	341.14	5.21	-32.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(OC(F)(F)F)C=C2N1	REAL300020172245	1	38	-1.0	-38.03	340.17	5.19	-32.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC(C(=O)N2CCCC2)=C1	REAL300020172246	0	42	-1.0	-45.45	347.65	4.83	-40.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC(C(=O)N2CCCC2)=C1	REAL300020172246	1	42	-1.0	-45.38	346.68	4.82	-40.56
O=C(CCCNC(=O)OCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172247	0	47	-1.0	-42.77	401.04	5.67	-37.10
O=C(CCCNC(=O)OCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172247	1	47	-1.0	-42.77	401.08	5.67	-37.10
O=C(NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1)C1=CC=CO1	REAL300020172248	0	41	-1.0	-49.67	357.50	5.52	-44.15
O=C(NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1)C1=CC=CO1	REAL300020172248	1	41	-1.0	-49.61	357.54	5.51	-44.10
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172249	0	52	0.0	-60.79	404.75	8.51	-52.28
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172249	1	52	0.0	-60.81	404.79	8.52	-52.29
O=C(CCC(=O)C1=CC=C(F)C=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172250	0	38	-1.0	-44.29	338.69	6.93	-37.36
O=C(CCC(=O)C1=CC=C(F)C=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172250	1	38	-1.0	-44.24	338.74	6.94	-37.30
CC1=NN2C(=C1)N=C(C)C=C2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172251	0	38	-1.0	-47.78	324.08	6.00	-41.78
CC1=NN2C(=C1)N=C(C)C=C2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172251	1	38	-1.0	-47.70	324.12	6.03	-41.67
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C=C(Cl)C=N1	REAL300020172252	0	33	-1.0	-39.91	301.22	4.56	-35.35
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C=C(Cl)C=N1	REAL300020172252	1	33	-1.0	-39.91	301.17	4.55	-35.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300020172253	0	53	0.0	-65.05	413.12	6.55	-58.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300020172253	1	53	0.0	-65.13	413.08	6.55	-58.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2NC=NC2=CC(F)=C1	REAL300020172254	0	33	-1.0	-42.07	291.61	5.35	-36.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2NC=NC2=CC(F)=C1	REAL300020172254	1	33	-1.0	-41.99	291.65	5.34	-36.65
CCC1=NOC(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020172255	0	40	-1.0	-42.53	342.08	3.94	-38.59
CCC1=NOC(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020172255	1	40	-1.0	-42.51	342.13	3.96	-38.55
CCCC1=NOC(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020172256	0	43	-1.0	-42.41	363.58	4.71	-37.70
CCCC1=NOC(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020172256	1	43	-1.0	-42.33	363.62	4.72	-37.61
CCCCC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172257	0	50	-1.0	-42.24	413.63	9.79	-32.45
CCCCC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172257	1	50	-1.0	-42.19	413.67	9.80	-32.39
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300020172258	0	44	-1.0	-43.18	384.86	9.94	-33.24
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300020172258	1	44	-1.0	-43.17	384.91	9.95	-33.22
CCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC(C)=C1C(C)=O	REAL300020172259	0	42	-1.0	-40.97	354.12	5.79	-35.18
CCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC(C)=C1C(C)=O	REAL300020172259	1	42	-1.0	-42.48	355.14	5.83	-36.65
CN(C)C1=NC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)S1	REAL300020172260	0	37	-1.0	-45.47	342.33	5.87	-39.60
CN(C)C1=NC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)S2)S1	REAL300020172260	1	37	-1.0	-45.51	342.29	5.85	-39.66
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=CC(C)=CC=C1	REAL300020172261	0	42	-1.0	-50.39	356.62	6.31	-44.08
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=CC(C)=CC=C1	REAL300020172261	1	42	-1.0	-50.38	356.67	6.32	-44.06
O=C(CCN1C=C(Br)C=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172262	0	33	-1.0	-40.63	310.25	4.75	-35.88
O=C(CCN1C=C(Br)C=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172262	1	33	-1.0	-40.64	310.21	4.74	-35.90
NC(=O)C1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020172263	0	41	-1.0	-47.33	353.76	4.33	-43.00
NC(=O)C1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020172263	1	41	-1.0	-47.35	353.80	4.32	-43.03
CCN(CC)C1=NC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)S1	REAL300020172264	0	43	-1.0	-45.34	385.05	7.75	-37.59
CCN(CC)C1=NC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)S2)S1	REAL300020172264	1	43	-1.0	-45.37	385.00	7.74	-37.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020172265	0	32	-1.0	-36.35	294.22	6.23	-30.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020172265	1	32	-1.0	-36.36	294.26	6.23	-30.13
CC(C)(C)NS(=O)(=O)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172266	0	40	-1.0	-45.01	330.33	0.95	-44.06
CC(C)(C)NS(=O)(=O)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172266	1	40	-1.0	-44.94	330.39	0.95	-43.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2NC=CC=C12	REAL300020172267	0	33	-1.0	-52.83	282.94	4.87	-47.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2NC=CC=C12	REAL300020172267	1	33	-1.0	-53.47	285.03	4.89	-48.58
O=C(CCCS(=O)(=O)N1CCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172268	0	44	-1.0	-46.78	371.82	3.14	-43.64
O=C(CCCS(=O)(=O)N1CCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172268	1	44	-1.0	-46.78	371.87	3.15	-43.63
CC(C(=O)N(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C=CC=N1	REAL300020172269	0	43	-1.0	-42.46	357.60	4.53	-37.93
CC(C(=O)N(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C=CC=N1	REAL300020172269	1	43	-1.0	-42.47	357.54	4.51	-37.96
O=C(CCN1C=C(Cl)C=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172270	0	33	-1.0	-40.64	305.63	4.65	-35.99
O=C(CCN1C=C(Cl)C=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172270	1	33	-1.0	-40.72	305.58	4.64	-36.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=CC=C2)C1	REAL300020172271	0	38	-1.0	-43.78	329.03	5.79	-37.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C2=CC=CC=C2)C1	REAL300020172271	1	38	-1.0	-43.69	329.08	5.79	-37.90
N#CC1=C(N)N(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)N=C1	REAL300020172272	0	40	-1.0	-41.26	353.36	6.06	-35.20
N#CC1=C(N)N(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)N=C1	REAL300020172272	1	40	-1.0	-41.28	353.31	6.07	-35.21
O=C(CC1=CC=C(F)C(Br)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172273	0	33	-1.0	-38.81	312.12	6.79	-32.02
O=C(CC1=CC=C(F)C(Br)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172273	1	33	-1.0	-38.82	312.16	6.79	-32.03
CC(C)OC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020172274	0	39	-1.0	-37.30	346.70	4.63	-32.67
CC(C)OC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020172274	1	39	-1.0	-37.32	346.65	4.61	-32.71
CC(=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020172275	0	37	-1.0	-40.50	316.00	7.48	-33.02
CC(=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020172275	1	37	-1.0	-40.07	315.02	7.45	-32.62
O=C(CCC1=CC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172276	0	42	-1.0	-40.46	353.64	9.22	-31.24
O=C(CCC1=CC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172276	1	42	-1.0	-40.41	353.68	9.23	-31.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC2=C1NC(=S)N2	REAL300020172277	0	34	-1.0	-41.71	313.54	5.38	-36.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC2=C1NC(=S)N2	REAL300020172277	1	34	-1.0	-41.71	313.59	5.39	-36.32
O=C(CNC(=O)NC1CCCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172278	0	45	-1.0	-42.27	363.38	3.06	-39.21
O=C(CNC(=O)NC1CCCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172278	1	45	-1.0	-42.33	363.42	3.07	-39.26
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC2=CC=CC=C21	REAL300020172279	0	35	-1.0	-45.99	298.26	5.98	-40.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC2=CC=CC=C21	REAL300020172279	1	35	-1.0	-46.01	298.21	5.97	-40.04
O=C(CCC(=O)N1CCC2=C(C=CS2)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172280	0	44	-1.0	-43.08	374.08	6.78	-36.30
O=C(CCC(=O)N1CCC2=C(C=CS2)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172280	1	44	-1.0	-43.10	374.12	6.79	-36.31
CC(C)S(=O)(=O)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172281	0	35	-1.0	-48.84	306.19	1.64	-47.20
CC(C)S(=O)(=O)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172281	1	35	-1.0	-48.85	306.24	1.64	-47.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300020172282	0	37	-1.0	-41.31	339.25	7.15	-34.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300020172282	1	37	-1.0	-41.33	339.20	7.14	-34.19
CCCC(C)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020172283	0	46	-1.0	-41.37	367.86	6.50	-34.87
CCCC(C)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020172283	1	46	-1.0	-41.39	367.91	6.50	-34.89
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=CC=C(C)C=C1	REAL300020172284	0	42	-1.0	-49.38	356.20	6.33	-43.05
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=CC=C(C)C=C1	REAL300020172284	1	42	-1.0	-49.36	356.26	6.33	-43.03
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=CC=CC(Cl)=C1	REAL300020172285	0	39	-1.0	-50.62	351.95	6.17	-44.45
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300020172285	1	39	-1.0	-50.64	351.99	6.17	-44.47
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL300020172286	0	39	-1.0	-50.48	333.80	5.64	-44.84
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL300020172286	1	39	-1.0	-50.45	333.84	5.64	-44.81
CCCC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020172287	0	46	-1.0	-46.25	363.56	6.04	-40.21
CCCC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020172287	1	46	-1.0	-46.21	363.60	6.04	-40.17
CCN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2S1(=O)=O	REAL300020172288	0	41	-1.0	-41.65	366.09	2.83	-38.82
CCN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2S1(=O)=O	REAL300020172288	1	41	-1.0	-41.60	366.13	2.83	-38.77
CCOC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172289	0	37	-1.0	-41.54	312.83	5.70	-35.84
CCOC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172289	1	37	-1.0	-41.52	312.88	5.71	-35.81
CC1=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020172290	0	30	-1.0	-45.08	283.71	3.07	-42.01
CC1=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020172290	1	30	-1.0	-45.07	283.76	3.07	-42.00
O=C(NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1)NC1CC1	REAL300020172291	0	43	-1.0	-50.54	364.05	4.75	-45.79
O=C(NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1)NC1CC1	REAL300020172291	1	43	-1.0	-50.52	364.10	4.75	-45.77
CCS(=O)(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020172292	0	44	-1.0	-42.96	362.81	2.98	-39.98
CCS(=O)(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020172292	1	44	-1.0	-42.93	362.85	2.99	-39.94
CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CC=CC=C2S1	REAL300020172293	0	40	-1.0	-48.10	353.37	7.25	-40.85
CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CC=CC=C2S1	REAL300020172293	1	40	-1.0	-48.08	353.33	7.23	-40.85
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1N1CCNC1=O	REAL300020172294	0	43	-1.0	-47.73	359.66	5.53	-42.20
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1N1CCNC1=O	REAL300020172294	1	43	-1.0	-47.71	359.70	5.53	-42.18
O=C(CC1=CC2=CC=CC=C2O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172295	0	36	-1.0	-43.48	313.01	6.67	-36.81
O=C(CC1=CC2=CC=CC=C2O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172295	1	36	-1.0	-43.49	313.06	6.67	-36.82
O=C(CSC1=NN=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172296	0	29	-1.0	-41.81	286.85	2.90	-38.91
O=C(CSC1=NN=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172296	1	29	-1.0	-41.82	286.81	2.90	-38.92
O=C(C=CC1=CC2=CC=CN=C2C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172297	0	39	-1.0	-44.48	337.16	7.04	-37.44
O=C(C=CC1=CC2=CC=CN=C2C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172297	1	39	-1.0	-44.48	337.20	7.04	-37.44
CCC1=NOC2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020172298	0	37	-1.0	-39.73	321.42	3.66	-36.07
CCC1=NOC2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020172298	1	37	-1.0	-39.74	321.46	3.67	-36.07
CC1=NN(C2=CC=CC=C2)C2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C12	REAL300020172299	0	45	-1.0	-50.97	386.97	8.75	-42.22
CC1=NN(C2=CC=CC=C2)C2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C12	REAL300020172299	1	45	-1.0	-50.97	387.01	8.75	-42.22
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC2=CC=C(F)C=C21	REAL300020172300	0	36	-1.0	-40.90	321.61	7.58	-33.32
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=CC=C(F)C=C21	REAL300020172300	1	36	-1.0	-41.01	320.63	7.57	-33.44
CC(C)(C)CC(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172301	0	42	-1.0	-40.17	338.30	3.56	-36.61
CC(C)(C)CC(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172301	1	42	-1.0	-40.14	338.34	3.56	-36.58
O=C(CSCC1=CC=CN=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172302	0	36	-1.0	-41.76	325.43	5.75	-36.01
O=C(CSCC1=CC=CN=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172302	1	36	-1.0	-41.81	325.39	5.74	-36.07
O=C(CC1=CC=C2OCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172303	0	36	-1.0	-40.80	311.19	4.80	-36.00
O=C(CC1=CC=C2OCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172303	1	36	-1.0	-40.74	311.24	4.80	-35.94
COC1=CC=CC(C(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172304	0	40	-1.0	-39.96	330.34	5.94	-34.02
COC1=CC=CC(C(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172304	1	40	-1.0	-39.96	330.38	5.94	-34.02
CCSCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172305	0	40	-1.0	-41.29	349.08	8.25	-33.04
CCSCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172305	1	40	-1.0	-41.23	349.12	8.26	-32.97
COC(=O)COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172306	0	40	-1.0	-47.45	347.34	6.40	-41.05
COC(=O)COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172306	1	40	-1.0	-47.46	347.38	6.41	-41.05
COC(=O)COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172307	0	40	-1.0	-43.42	347.26	6.41	-37.01
COC(=O)COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172307	1	40	-1.0	-43.40	347.30	6.41	-36.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=CS2)S1	REAL300020172308	0	30	-1.0	-41.59	290.77	5.97	-35.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=CS2)S1	REAL300020172308	1	30	-1.0	-41.56	290.81	5.98	-35.58
COC1=CC=C2C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC(=O)OC2=C1	REAL300020172309	0	42	-1.0	-41.03	360.27	6.85	-34.18
COC1=CC=C2C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC(=O)OC2=C1	REAL300020172309	1	42	-1.0	-41.07	360.31	6.85	-34.22
CC1=NN(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020172310	0	35	-1.0	-47.37	321.16	4.49	-42.88
CC1=NN(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020172310	1	35	-1.0	-47.33	321.12	4.49	-42.84
CSC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C2C=CC=CN12	REAL300020172311	0	37	-1.0	-52.74	331.54	6.98	-45.76
CSC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C2C=CC=CN12	REAL300020172311	1	37	-1.0	-52.77	331.50	6.98	-45.79
O=C(CCNC(=O)OCC(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172312	0	37	-1.0	-40.95	339.21	2.27	-38.68
O=C(CCNC(=O)OCC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172312	1	37	-1.0	-40.96	339.26	2.28	-38.68
O=C(CCCOC1=CC=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172313	0	40	-1.0	-43.05	343.72	6.62	-36.43
O=C(CCCOC1=CC=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172313	1	40	-1.0	-43.06	343.76	6.63	-36.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NC2CC2)N=C1	REAL300020172314	0	38	-1.0	-42.59	322.13	5.01	-37.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(NC2CC2)N=C1	REAL300020172314	1	38	-1.0	-42.62	322.09	5.01	-37.61
CN1N=NN=C1SCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172315	0	35	-1.0	-43.48	321.06	3.56	-39.92
CN1N=NN=C1SCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172315	1	35	-1.0	-43.57	321.02	3.55	-40.02
CCCCSC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172316	0	39	-1.0	-39.23	331.17	6.60	-32.63
CCCCSC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172316	1	39	-1.0	-39.22	331.22	6.60	-32.62
O=C(CCOCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172317	0	40	-1.0	-39.88	341.57	6.26	-33.62
O=C(CCOCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172317	1	40	-1.0	-39.84	341.62	6.27	-33.57
CC(=O)NCC(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172318	0	37	-1.0	-42.40	323.78	-0.64	-43.04
CC(=O)NCC(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172318	1	37	-1.0	-42.37	323.83	-0.64	-43.01
CC(SC1=NN=NN1C1CC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172319	0	39	-1.0	-41.83	347.11	5.05	-36.78
CC(SC1=NN=NN1C1CC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172319	1	39	-1.0	-41.86	347.07	5.04	-36.82
C=CC(=O)NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172320	0	41	-1.0	-44.35	355.83	5.03	-39.32
C=CC(=O)NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172320	1	41	-1.0	-44.34	355.87	5.03	-39.31
COC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(OC)=C1OC	REAL300020172321	0	48	-1.0	-42.27	399.74	6.15	-36.12
COC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(OC)=C1OC	REAL300020172321	1	48	-1.0	-42.25	399.79	6.16	-36.09
O=C(CN1C=CC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172322	0	37	-1.0	-40.48	318.30	7.61	-32.87
O=C(CN1C=CC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172322	1	37	-1.0	-40.52	318.34	7.61	-32.91
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C2=CC=C(Cl)C=C2)C1=O	REAL300020172323	0	41	-1.0	-47.98	355.26	7.08	-40.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C2=CC=C(Cl)C=C2)C1=O	REAL300020172323	1	41	-1.0	-47.95	355.30	7.08	-40.87
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(OCC2=CC=CC=C2)=C1	REAL300020172324	0	43	-1.0	-39.60	370.69	6.19	-33.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(OCC2=CC=CC=C2)=C1	REAL300020172324	1	43	-1.0	-39.60	369.64	6.16	-33.44
NC(=O)C1CCCN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)C1	REAL300020172325	0	49	-1.0	-46.59	389.11	3.34	-43.25
NC(=O)C1CCCN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C1	REAL300020172325	1	49	-1.0	-46.53	389.16	3.36	-43.17
O=C(CCCOC1=CC=CC(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172326	0	40	-1.0	-40.57	342.90	6.60	-33.97
O=C(CCCOC1=CC=CC(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172326	1	40	-1.0	-40.57	342.94	6.60	-33.97
CCN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020172327	0	40	-1.0	-39.74	324.75	8.36	-31.38
CCN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020172327	1	40	-1.0	-39.62	324.79	8.36	-31.26
CC(NC(=O)C1CCCCC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172328	0	46	-1.0	-41.67	365.63	5.05	-36.62
CC(NC(=O)C1CCCCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172328	1	46	-1.0	-41.65	365.67	5.05	-36.60
CC1=CC=C(C2=NOC(CCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)C=C1F	REAL300020172329	0	44	-1.0	-41.54	385.16	6.31	-35.23
CC1=CC=C(C2=NOC(CCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)C=C1F	REAL300020172329	1	44	-1.0	-41.51	385.12	6.30	-35.21
CC1=CC(C2=NOC(CCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)=CC=C1F	REAL300020172330	0	44	-1.0	-39.78	385.16	6.30	-33.48
CC1=CC(C2=NOC(CCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)=CC=C1F	REAL300020172330	1	44	-1.0	-39.79	385.12	6.30	-33.49
CC1=CC=C2OC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C1	REAL300020172331	0	36	-1.0	-44.57	313.10	6.54	-38.03
CC1=CC=C2OC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C1	REAL300020172331	1	36	-1.0	-44.55	313.14	6.54	-38.01
CCCCCCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172332	0	52	-1.0	-39.93	423.49	9.52	-30.41
CCCCCCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172332	1	52	-1.0	-39.92	423.53	9.53	-30.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1	REAL300020172333	0	37	-1.0	-52.87	338.65	7.13	-45.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC(Cl)=C2)C=C1	REAL300020172333	1	37	-1.0	-52.88	338.61	7.13	-45.75
CN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020172334	0	37	-1.0	-40.94	307.22	7.24	-33.70
CN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020172334	1	37	-1.0	-40.90	307.27	7.25	-33.65
O=C(CCC1=CC=C(C2=CC=CC=C2)N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172335	0	44	-1.0	-40.86	370.33	8.27	-32.59
O=C(CCC1=CC=C(C2=CC=CC=C2)N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172335	1	44	-1.0	-40.89	370.38	8.28	-32.61
CCOCCOC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172336	0	40	-1.0	-42.92	335.32	4.27	-38.65
CCOCCOC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172336	1	40	-1.0	-42.97	335.37	4.28	-38.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(OC(F)(F)F)C=CC=C2N1	REAL300020172337	0	38	-1.0	-38.46	341.34	5.22	-33.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(OC(F)(F)F)C=CC=C2N1	REAL300020172337	1	38	-1.0	-38.43	341.39	5.22	-33.21
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020172338	0	39	-1.0	-38.00	327.37	7.46	-30.54
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020172338	1	39	-1.0	-37.98	327.41	7.47	-30.51
CC1=CNC(=O)N1C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172339	0	41	-1.0	-47.54	352.48	6.26	-41.28
CC1=CNC(=O)N1C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172339	1	41	-1.0	-47.50	352.52	6.26	-41.24
O=C(CNC(=O)NCC1=CC=CO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172340	0	39	-1.0	-42.25	341.79	1.49	-40.76
O=C(CNC(=O)NCC1=CC=CO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172340	1	39	-1.0	-42.26	341.83	1.49	-40.77
O=C(CCC1=NC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172341	0	32	-1.0	-39.26	291.30	4.05	-35.21
O=C(CCC1=NC=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172341	1	32	-1.0	-39.19	291.34	4.06	-35.13
CC1=CC=C(C)C(OCCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172342	0	49	-1.0	-40.55	400.47	8.75	-31.80
CC1=CC=C(C)C(OCCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172342	1	49	-1.0	-40.54	400.52	8.76	-31.78
CC(C)(C)C1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020172343	0	38	-1.0	-41.39	329.98	5.18	-36.21
CC(C)(C)C1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020172343	1	38	-1.0	-41.30	328.96	5.16	-36.14
CC(C)CCSCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172344	0	39	-1.0	-38.57	331.23	6.59	-31.98
CC(C)CCSCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172344	1	39	-1.0	-38.59	331.27	6.59	-32.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1	REAL300020172345	0	37	-1.0	-54.46	328.33	6.68	-47.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC(F)=C2)C=C1	REAL300020172345	1	37	-1.0	-54.46	328.29	6.67	-47.79
O=C(CN1CCC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172346	0	39	-1.0	-39.29	319.34	5.37	-33.92
O=C(CN1CCC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172346	1	39	-1.0	-39.29	319.41	5.37	-33.92
O=C(CNC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172347	0	35	-1.0	-38.16	313.40	5.03	-33.13
O=C(CNC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172347	1	35	-1.0	-38.14	313.45	5.04	-33.10
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL300020172348	0	42	-1.0	-48.53	357.26	6.36	-42.17
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL300020172348	1	42	-1.0	-48.51	357.31	6.36	-42.15
COC1=CC=C(Cl)C=C1NCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172349	0	42	-1.0	-39.75	366.26	5.00	-34.75
COC1=CC=C(Cl)C=C1NCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172349	1	42	-1.0	-39.74	366.31	5.01	-34.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)N=C(N2CCCC2)S1	REAL300020172350	0	38	-1.0	-44.73	337.86	5.16	-39.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)N=C(N2CCCC2)S1	REAL300020172350	1	38	-1.0	-44.78	337.85	5.15	-39.63
COC1=CC=C(N2C=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)C=C1	REAL300020172351	0	41	-1.0	-49.76	351.40	5.91	-43.85
COC1=CC=C(N2C=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)C=C1	REAL300020172351	1	41	-1.0	-49.80	351.35	5.91	-43.89
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020172352	0	42	-1.0	-38.19	359.70	8.41	-29.78
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020172352	1	42	-1.0	-38.19	359.75	8.42	-29.77
CC1=CC=CC(OCCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172353	0	46	-1.0	-40.54	380.40	8.00	-32.54
CC1=CC=CC(OCCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172353	1	46	-1.0	-40.49	380.44	8.02	-32.47
CC(OC1=CC=CC(C#N)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172354	0	38	-1.0	-40.33	333.78	6.92	-33.41
CC(OC1=CC=CC(C#N)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172354	1	38	-1.0	-40.29	333.82	6.92	-33.37
NC(=O)C1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172355	0	38	-1.0	-44.06	329.49	2.74	-41.32
NC(=O)C1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172355	1	38	-1.0	-44.08	329.54	2.76	-41.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=CC2=CC=CC=C21	REAL300020172356	0	35	-1.0	-47.35	298.39	6.00	-41.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=CC2=CC=CC=C21	REAL300020172356	1	35	-1.0	-47.43	298.34	6.00	-41.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300020172357	0	32	-1.0	-43.38	294.65	6.77	-36.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1[N+](=O)[O-]	REAL300020172357	1	32	-1.0	-43.39	294.69	6.77	-36.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CN=C2C=C1	REAL300020172358	0	35	-1.0	-43.93	302.64	5.85	-38.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CN=C2C=C1	REAL300020172358	1	35	-1.0	-43.95	302.59	5.85	-38.10
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300020172359	0	44	-1.0	-44.90	381.68	9.84	-35.06
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300020172359	1	44	-1.0	-44.88	381.73	9.84	-35.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300020172360	0	40	-1.0	-40.51	359.99	7.63	-32.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300020172360	1	40	-1.0	-40.50	359.95	7.63	-32.87
CS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020172361	0	38	-1.0	-50.73	350.36	3.67	-47.06
CS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020172361	1	38	-1.0	-50.73	350.41	3.68	-47.05
CC(C)(C)C(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020172362	0	49	-1.0	-46.22	371.78	5.97	-40.25
CC(C)(C)C(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020172362	1	49	-1.0	-46.20	371.84	5.97	-40.23
CCOC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020172363	0	36	-1.0	-43.36	324.33	3.77	-39.59
CCOC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020172363	1	36	-1.0	-43.40	324.29	3.75	-39.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=C(Cl)S2)=N1	REAL300020172364	0	33	-1.0	-47.30	337.48	5.94	-41.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=C(Cl)S2)=N1	REAL300020172364	1	33	-1.0	-47.33	337.44	5.94	-41.39
CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020172365	0	38	-1.0	-41.40	316.69	6.40	-35.00
CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020172365	1	38	-1.0	-41.41	316.74	6.41	-35.00
COCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020172366	0	44	-1.0	-43.52	371.81	7.12	-36.40
COCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020172366	1	44	-1.0	-43.50	371.86	7.12	-36.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1	REAL300020172367	0	43	-1.0	-48.65	371.46	6.31	-42.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1	REAL300020172367	1	43	-1.0	-48.65	371.42	6.31	-42.34
C=CCOC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020172368	0	37	-1.0	-43.66	337.23	4.35	-39.31
C=CCOC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020172368	1	37	-1.0	-43.69	337.19	4.34	-39.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC2CC2)C=C1	REAL300020172369	0	41	-1.0	-39.76	344.43	7.30	-32.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC2CC2)C=C1	REAL300020172369	1	41	-1.0	-39.77	344.47	7.30	-32.47
CCCS(=O)(=O)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172370	0	35	-1.0	-49.47	310.63	1.85	-47.62
CCCS(=O)(=O)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172370	1	35	-1.0	-49.48	310.68	1.85	-47.63
O=C(CSCC1=CC=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172371	0	37	-1.0	-40.19	361.34	8.46	-31.73
O=C(CSCC1=CC=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172371	1	37	-1.0	-40.18	361.39	8.48	-31.70
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=C(C)C=CC(C)=C12	REAL300020172372	0	42	-1.0	-46.96	347.41	7.70	-39.26
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=C(C)C=CC(C)=C12	REAL300020172372	1	42	-1.0	-46.85	346.44	7.70	-39.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2=CC=CC=C2F)S1	REAL300020172373	0	36	-1.0	-42.96	332.81	6.65	-36.31
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2=CC=CC=C2F)S1	REAL300020172373	1	36	-1.0	-43.00	332.77	6.65	-36.35
CC(C)C1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL300020172374	0	45	-1.0	-47.88	380.19	6.13	-41.75
CC(C)C1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL300020172374	1	45	-1.0	-47.94	380.14	6.13	-41.81
CCCCCCCCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172375	0	53	-1.0	-37.90	419.62	10.19	-27.71
CCCCCCCCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172375	1	53	-1.0	-37.89	419.67	10.20	-27.69
NC(=O)C1=CSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172376	0	31	-1.0	-45.33	289.43	1.24	-44.09
NC(=O)C1=CSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172376	1	31	-1.0	-45.30	289.48	1.24	-44.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C2=CC=C(F)C=C2)C1=O	REAL300020172377	0	41	-1.0	-48.40	344.95	6.63	-41.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C2=CC=C(F)C=C2)C1=O	REAL300020172377	1	41	-1.0	-48.39	344.99	6.63	-41.76
CC1=CC(N2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=O)=CC(C)=C1	REAL300020172378	0	47	-1.0	-50.36	380.77	7.85	-42.51
CC1=CC(N2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=O)=CC(C)=C1	REAL300020172378	1	47	-1.0	-50.36	380.82	7.85	-42.51
CCN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020172379	0	41	-1.0	-39.05	333.55	7.24	-31.81
CCN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020172379	1	41	-1.0	-39.07	333.60	7.26	-31.81
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1CCC#N	REAL300020172380	0	37	-1.0	-45.02	324.75	5.06	-39.96
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1CCC#N	REAL300020172380	1	37	-1.0	-44.95	324.79	5.07	-39.88
O=C(CCCC[NH+]1CCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172381	0	45	0.0	-56.13	351.42	7.09	-49.04
O=C(CCCC[NH+]1CCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172381	1	45	0.0	-56.13	351.46	7.11	-49.02
O=C(CCN1CCOC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172382	0	35	-1.0	-49.90	302.41	3.30	-46.60
O=C(CCN1CCOC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172382	1	35	-1.0	-49.89	302.46	3.32	-46.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1CCC2	REAL300020172383	0	37	-1.0	-42.24	303.99	7.35	-34.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1CCC2	REAL300020172383	1	37	-1.0	-42.22	304.03	7.36	-34.86
CC1=CSC(C(O)(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(F)(F)F)=N1	REAL300020172384	0	39	-1.0	-38.52	349.02	3.33	-35.19
CC1=CSC(C(O)(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(F)(F)F)=N1	REAL300020172384	1	39	-1.0	-37.49	350.06	3.36	-34.13
CCOC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020172385	0	40	-1.0	-39.83	339.29	7.12	-32.71
CCOC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020172385	1	40	-1.0	-38.97	340.35	7.15	-31.82
O=C(CNC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172386	0	37	-1.0	-44.37	321.93	5.35	-39.02
O=C(CNC1=CC=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172386	1	37	-1.0	-44.35	321.97	5.36	-38.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(=O)OC2=C1	REAL300020172387	0	33	-1.0	-39.31	293.20	2.99	-36.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(=O)OC2=C1	REAL300020172387	1	33	-1.0	-39.30	293.24	2.99	-36.31
N#CC1=CC=CC=C1COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172388	0	45	-1.0	-43.60	390.22	9.17	-34.43
N#CC1=CC=CC=C1COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172388	1	45	-1.0	-43.61	390.27	9.17	-34.44
CCC1=NC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020172389	0	35	-1.0	-41.71	312.03	4.76	-36.95
CCC1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020172389	1	35	-1.0	-41.64	312.07	4.76	-36.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=C2OCOC2=C1	REAL300020172390	0	33	-1.0	-39.12	308.80	4.77	-34.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=C2OCOC2=C1	REAL300020172390	1	33	-1.0	-39.06	308.84	4.78	-34.28
CC(=O)NC1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172391	0	37	-1.0	-55.99	322.16	4.49	-51.50
CC(=O)NC1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172391	1	37	-1.0	-56.01	322.21	4.49	-51.52
CC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020172392	0	37	-1.0	-44.88	323.47	4.50	-40.38
CC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020172392	1	37	-1.0	-44.84	323.52	4.50	-40.34
CC1=C(C)C2=C(NC(CCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NC2=O)S1	REAL300020172393	0	44	-1.0	-54.23	379.99	5.42	-48.81
CC1=C(C)C2=C(NC(CCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NC2=O)S1	REAL300020172393	1	44	-1.0	-54.22	380.04	5.43	-48.79
CC1=NOC(Cl)=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172394	0	35	-1.0	-38.72	320.28	5.54	-33.18
CC1=NOC(Cl)=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172394	1	35	-1.0	-37.71	319.31	5.53	-32.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC2CCCCC2)C=C1	REAL300020172395	0	50	-1.0	-39.68	395.98	9.10	-30.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC2CCCCC2)C=C1	REAL300020172395	1	50	-1.0	-39.69	396.03	9.11	-30.58
COCCOC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172396	0	41	-1.0	-44.22	346.46	4.98	-39.24
COCCOC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172396	1	41	-1.0	-44.22	346.50	4.98	-39.24
CCSC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020172397	0	36	-1.0	-38.28	321.69	5.74	-32.54
CCSC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020172397	1	36	-1.0	-38.33	321.64	5.74	-32.59
O=C(CCNC(=O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172398	0	40	-1.0	-43.46	349.02	4.67	-38.79
O=C(CCNC(=O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172398	1	40	-1.0	-43.46	349.07	4.68	-38.78
CCOC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172399	0	43	-1.0	-39.73	358.88	7.18	-32.55
CCOC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172399	1	43	-1.0	-39.73	358.93	7.20	-32.53
CNC(=O)COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020172400	0	45	-1.0	-48.25	380.63	4.08	-44.17
CNC(=O)COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020172400	1	45	-1.0	-48.26	380.67	4.08	-44.18
CC1=CC=C(OCC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)O2)C(C)=C1	REAL300020172401	0	47	-1.0	-45.45	398.00	8.33	-37.12
CC1=CC=C(OCC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)O2)C(C)=C1	REAL300020172401	1	47	-1.0	-45.45	398.04	8.33	-37.12
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=C(C)C=CC=C12	REAL300020172402	0	39	-1.0	-46.79	331.91	7.22	-39.57
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=C(C)C=CC=C12	REAL300020172402	1	39	-1.0	-46.52	330.94	7.20	-39.32
CN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=C1N(C)C(=O)N(C)C2=O	REAL300020172403	0	43	-1.0	-37.74	347.54	6.16	-31.58
O=C(CN1C=CC2=CC=C(Cl)C=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172404	0	37	-1.0	-41.95	334.98	8.12	-33.83
O=C(CN1C=CC2=CC=C(Cl)C=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172404	1	37	-1.0	-41.94	335.03	8.11	-33.83
O=C(CCC1=CC(F)=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172405	0	36	-1.0	-39.06	319.38	7.05	-32.01
O=C(CCC1=CC(F)=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172405	1	36	-1.0	-39.00	319.43	7.06	-31.94
CC1=C(C)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)S1	REAL300020172406	0	36	-1.0	-47.01	317.16	4.88	-42.13
CC1=C(C)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)S1	REAL300020172406	1	36	-1.0	-46.99	317.20	4.88	-42.11
O=C(CCCNC(=O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172407	0	43	-1.0	-43.25	370.52	5.48	-37.77
O=C(CCCNC(=O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172407	1	43	-1.0	-43.22	370.57	5.48	-37.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2C=C(Br)C=NC2=N1	REAL300020172408	0	31	-1.0	-49.68	303.78	6.23	-43.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2C=C(Br)C=NC2=N1	REAL300020172408	1	31	-1.0	-49.67	303.74	6.22	-43.45
CSC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020172409	0	33	-1.0	-38.32	300.22	4.88	-33.44
CSC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020172409	1	33	-1.0	-38.36	300.18	4.87	-33.49
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CC(C)OC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020172411	0	39	-1.0	-42.61	344.48	4.68	-37.93
CC(C)OC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020172411	1	39	-1.0	-42.67	344.42	4.67	-38.00
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CC(OC1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172412	1	39	-1.0	-43.23	356.85	8.29	-34.94
COC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020172413	0	39	-1.0	-46.28	336.12	4.68	-41.60
COC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020172413	1	39	-1.0	-46.35	336.08	4.68	-41.67
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CCCCN(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172425	0	47	-1.0	-42.89	377.59	8.37	-34.52
CCCCN(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172425	1	47	-1.0	-42.86	377.63	8.38	-34.48
CCCN(CC)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172426	0	47	-1.0	-42.61	377.89	8.53	-34.08
CCCN(CC)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172426	1	47	-1.0	-42.59	377.93	8.53	-34.06
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CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C2C(C(C)C)=NOC2=N1	REAL300020172429	0	43	-1.0	-36.91	349.98	4.37	-32.54
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C2C(C(C)C)=NOC2=N1	REAL300020172429	1	43	-1.0	-36.65	350.24	4.42	-32.23
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NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020172433	0	33	-1.0	-44.52	292.46	0.51	-44.01
NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020172433	1	33	-1.0	-44.53	292.41	0.51	-44.02
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CC1=NN(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)C=C1	REAL300020172434	1	40	-1.0	-46.87	341.86	7.26	-39.61
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CC(C)(C)OC(=O)NCCCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172436	0	55	-1.0	-42.93	438.64	6.06	-36.87
CC(C)(C)OC(=O)NCCCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172436	1	55	-1.0	-42.88	438.69	6.07	-36.81
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NC1=NC([O-])=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020172443	1	31	-2.0	-109.63	292.30	-1.10	-110.73
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CN1C=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020172445	1	40	-1.0	-42.75	339.53	7.92	-34.83
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CC(OCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172448	0	40	-1.0	-41.05	339.75	7.10	-33.95
CC(OCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172448	1	40	-1.0	-40.98	339.80	7.10	-33.88
CS(=O)(=O)C1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172449	0	43	-1.0	-46.76	376.68	3.30	-43.46
CS(=O)(=O)C1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172449	1	43	-1.0	-46.77	376.72	3.32	-43.45
CCS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172450	0	39	-1.0	-47.03	343.61	3.92	-43.11
CCS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172450	1	39	-1.0	-47.02	343.65	3.92	-43.10
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172451	0	43	-1.0	-39.70	349.31	3.17	-36.53
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CC(C)(C)OC(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172452	0	40	-1.0	-39.62	330.52	2.30	-37.32
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CC(=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020172456	0	37	-1.0	-39.37	322.30	7.53	-31.84
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CC(=O)CCC1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172457	0	48	-1.0	-42.85	403.59	7.92	-34.93
CC(=O)CCC1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172457	1	48	-1.0	-42.87	403.63	7.93	-34.94
CC(=O)C1=CC=CC(OCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172458	0	45	-1.0	-46.87	378.76	6.96	-39.91
CC(=O)C1=CC=CC(OCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172458	1	45	-1.0	-46.85	378.80	6.97	-39.88
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CC(C)(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020172460	0	42	-1.0	-38.13	331.54	7.72	-30.41
CC(C)(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020172460	1	42	-1.0	-38.15	331.59	7.73	-30.42
CCCCC(NC(N)=O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172461	0	41	-1.0	-44.01	333.74	2.08	-41.93
CCCCC(NC(N)=O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172461	1	41	-1.0	-48.01	334.80	2.12	-45.89
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CC1=NN(C(F)F)C(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172463	0	39	-1.0	-40.68	339.10	5.05	-35.63
CC1=NN(C(F)F)C(C)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172463	1	39	-1.0	-40.67	339.14	5.05	-35.62
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CC1=NC([N+](=O)[O-])=CN1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172465	0	38	-1.0	-44.96	337.23	7.14	-37.82
CC1=NC([N+](=O)[O-])=CN1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172465	1	38	-1.0	-44.95	337.26	7.14	-37.81
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CCN(CC)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020172466	1	43	-1.0	-43.59	353.62	7.21	-36.38
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CN1C(=O)NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020172468	1	37	-1.0	-40.81	319.46	4.33	-36.48
CN(C)C(=O)CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020172469	0	39	-1.0	-59.83	338.98	2.26	-57.57
CN(C)C(=O)CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020172469	1	39	-1.0	-59.82	338.94	2.26	-57.56
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020172470	0	54	0.0	-62.99	406.87	7.73	-55.26
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC1	REAL300020172470	1	54	0.0	-62.93	406.92	7.74	-55.19
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CC1=CC=CC=C1N1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=C1CCC2	REAL300020172472	0	47	-1.0	-52.16	381.10	9.27	-42.89
CC1=CC=CC=C1N1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=C1CCC2	REAL300020172472	1	47	-1.0	-52.13	381.14	9.27	-42.86
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CC(C)CCOC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172474	0	42	-1.0	-39.15	340.41	6.15	-33.00
CC(C)CCOC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172474	1	42	-1.0	-39.09	340.45	6.15	-32.94
CC(C)OC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172475	0	43	-1.0	-39.97	356.31	7.05	-32.92
CC(C)OC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172475	1	43	-1.0	-39.92	356.36	7.05	-32.87
O=C(COCCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172476	0	40	-1.0	-40.37	342.12	7.24	-33.13
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COC1=CC=CC=C1C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020172477	0	40	-1.0	-49.48	354.12	5.82	-43.66
COC1=CC=CC=C1C1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020172477	1	40	-1.0	-49.47	354.07	5.81	-43.66
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NS(=O)(=O)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172479	0	38	-1.0	-50.83	339.75	1.14	-49.69
NS(=O)(=O)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172479	1	38	-1.0	-50.84	339.79	1.14	-49.70
CC(OCC1CCCO1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172480	0	41	-1.0	-43.68	336.93	4.53	-39.15
CC(OCC1CCCO1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172480	1	41	-1.0	-43.66	336.97	4.53	-39.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CS2)NC1=O	REAL300020172481	0	37	-1.0	-49.82	330.42	6.29	-43.53
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CS2)NC1=O	REAL300020172481	1	37	-1.0	-49.78	330.36	6.27	-43.51
CC(C)CC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020172482	0	38	-1.0	-46.12	331.85	5.40	-40.72
CC(C)CC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020172482	1	38	-1.0	-46.11	331.89	5.42	-40.69
CC1=CC=C(CCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172483	0	45	-1.0	-39.44	371.95	9.21	-30.23
CC1=CC=C(CCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172483	1	45	-1.0	-39.46	371.99	9.21	-30.25
CC1=C([N+](=O)[O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020172484	0	32	-1.0	-47.51	295.21	3.29	-44.22
CC1=C([N+](=O)[O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020172484	1	32	-1.0	-47.51	295.25	3.28	-44.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC=C2Cl)N=C1	REAL300020172485	0	37	-1.0	-45.70	334.63	7.34	-38.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC=C2Cl)N=C1	REAL300020172485	1	37	-1.0	-45.68	334.58	7.33	-38.35
O=C(COC1=CC=C([N+](=O)[O-])C(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172486	0	36	-1.0	-41.54	326.76	6.62	-34.92
O=C(COC1=CC=C([N+](=O)[O-])C(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172486	1	36	-1.0	-41.56	326.80	6.62	-34.94
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172487	0	36	-1.0	-41.99	326.02	7.26	-34.73
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172487	1	36	-1.0	-42.00	326.06	7.26	-34.74
CC(C)(C)OC(=O)N1CCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020172488	0	53	-1.0	-40.47	408.73	7.12	-33.35
CC(C)(C)OC(=O)N1CCC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020172488	1	53	-1.0	-40.47	408.78	7.13	-33.34
COC1=CC=C2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)COC2=C1	REAL300020172489	0	42	-1.0	-40.52	344.78	5.29	-35.23
COC1=CC=C2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)COC2=C1	REAL300020172489	1	42	-1.0	-40.56	344.82	5.29	-35.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC=C2Cl)N=N1	REAL300020172490	0	36	-1.0	-51.93	330.97	5.74	-46.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC=C2Cl)N=N1	REAL300020172490	1	36	-1.0	-51.94	330.93	5.71	-46.23
O=C(CCCC1=CC=C2CC3=CC=CC=C3C2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172491	0	50	-1.0	-42.35	413.24	11.85	-30.50
O=C(CCCC1=CC=C2CC3=CC=CC=C3C2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172491	1	50	-1.0	-42.34	413.29	11.86	-30.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2CC2)=N1	REAL300020172492	0	33	-1.0	-46.67	300.52	4.70	-41.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2CC2)=N1	REAL300020172492	1	33	-1.0	-46.65	300.56	4.70	-41.95
O=C(CCCOC1=CC=C(F)C=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172493	0	40	-1.0	-41.29	350.13	6.68	-34.61
O=C(CCCOC1=CC=C(F)C=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172493	1	40	-1.0	-41.23	350.17	6.69	-34.54
O=C(CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172494	0	43	-1.0	-41.94	379.15	5.01	-36.93
O=C(CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172494	1	43	-1.0	-42.01	379.11	5.00	-37.01
NS(=O)(=O)C1=CN(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020172495	0	38	-1.0	-47.83	344.98	-0.99	-48.82
NS(=O)(=O)C1=CN(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020172495	1	38	-1.0	-47.84	344.94	-1.00	-48.84
CN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C1=CC=C(F)C=C1	REAL300020172496	0	41	-1.0	-38.97	340.15	8.52	-30.45
CN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C1=CC=C(F)C=C1	REAL300020172496	1	41	-1.0	-38.91	340.21	8.53	-30.38
CC(C)CN1N=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C21	REAL300020172497	0	44	-1.0	-42.27	367.61	7.06	-35.21
CC(C)CN1N=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C21	REAL300020172497	1	44	-1.0	-42.28	367.56	7.04	-35.24
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C(C)(C)C)=N1	REAL300020172498	0	41	-1.0	-40.28	347.72	5.79	-34.49
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C(C)(C)C)=N1	REAL300020172498	1	41	-1.0	-40.26	347.77	5.79	-34.47
CC1=NN=C2C=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN12	REAL300020172499	0	35	-1.0	-41.31	304.33	6.59	-34.72
CC1=NN=C2C=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN12	REAL300020172499	1	35	-1.0	-41.29	304.37	6.60	-34.69
O=C(CSCC(=O)C1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172500	0	39	-1.0	-44.29	367.35	7.91	-36.38
O=C(CSCC(=O)C1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172500	1	39	-1.0	-44.32	367.39	7.91	-36.41
CC1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020172501	0	40	-1.0	-41.90	340.18	8.29	-33.61
CC1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020172501	1	40	-1.0	-41.92	340.22	8.28	-33.64
CCCCN(CC)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172502	0	50	-1.0	-42.66	399.39	9.31	-33.35
CCCCN(CC)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172502	1	50	-1.0	-42.70	399.43	9.31	-33.39
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=CC=C([N+](=O)[O-])C=C12	REAL300020172503	0	36	-1.0	-45.58	321.07	6.12	-39.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=CC=C([N+](=O)[O-])C=C12	REAL300020172503	1	36	-1.0	-45.45	322.12	6.14	-39.31
NS(=O)(=O)C1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020172504	0	35	-1.0	-48.66	321.74	-1.58	-50.24
NS(=O)(=O)C1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020172504	1	35	-1.0	-48.63	321.70	-1.57	-50.20
CCOC(CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1)OCC	REAL300020172505	0	46	-1.0	-47.88	387.60	3.47	-44.41
CCOC(CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1)OCC	REAL300020172505	1	46	-1.0	-47.93	387.55	3.47	-44.46
O=C(CSCC(=O)C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172506	0	39	-1.0	-45.57	350.63	7.39	-38.18
O=C(CSCC(=O)C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172506	1	39	-1.0	-45.55	350.68	7.39	-38.16
CCN1C=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020172507	0	43	-1.0	-44.39	361.32	8.82	-35.57
CCN1C=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020172507	1	43	-1.0	-44.43	361.36	8.82	-35.61
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CC(OCC1CCCCO1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172511	0	44	-1.0	-41.04	355.37	5.41	-35.63
CC(OCC1CCCCO1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172511	1	44	-1.0	-41.01	355.41	5.42	-35.59
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CC(=O)CCC1=CC=C(OC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172513	0	48	-1.0	-42.59	400.72	8.77	-33.82
CC(=O)CCC1=CC=C(OC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172513	1	48	-1.0	-43.15	401.48	8.79	-34.36
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CC1=CC=C(C2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)C(C)=C1	REAL300020172514	1	42	-1.0	-41.20	369.73	7.82	-33.38
CC1=C2OC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=CC=C1	REAL300020172515	0	36	-1.0	-45.49	313.14	6.51	-38.98
CC1=C2OC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=CC=C1	REAL300020172515	1	36	-1.0	-45.46	313.18	6.52	-38.94
CC(=O)C1=CC=CC(OC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172516	0	42	-1.0	-45.82	353.43	6.92	-38.90
CC(=O)C1=CC=CC(OC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172516	1	42	-1.0	-45.79	353.48	6.92	-38.87
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NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020172521	0	31	-1.0	-39.95	290.39	1.33	-38.62
NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020172521	1	31	-1.0	-39.90	290.43	1.33	-38.57
NS(=O)(=O)CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172522	0	38	-1.0	-51.47	339.61	1.14	-50.33
NS(=O)(=O)CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172522	1	38	-1.0	-51.44	339.66	1.14	-50.30
CN(C)C1=CC=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172523	0	37	-1.0	-46.38	309.30	4.14	-42.24
CN(C)C1=CC=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172523	1	37	-1.0	-46.38	309.25	4.13	-42.25
CC1=NN(C)C(C)=C1C(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172524	0	42	-1.0	-42.17	336.79	5.25	-36.92
CC1=NN(C)C(C)=C1C(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172524	1	42	-1.0	-42.12	336.83	5.25	-36.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2COCC2=C1	REAL300020172525	0	35	-1.0	-39.97	297.49	4.79	-35.18
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2COCC2=C1	REAL300020172525	1	35	-1.0	-39.95	297.53	4.79	-35.16
COC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172526	0	42	-1.0	-43.35	357.04	6.10	-37.25
COC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172526	1	42	-1.0	-43.37	357.09	6.11	-37.26
COC1=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020172527	0	40	-1.0	-42.30	350.54	6.69	-35.61
COC1=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020172527	1	40	-1.0	-42.36	350.58	6.70	-35.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C=NN=C2C=C1	REAL300020172528	0	32	-1.0	-41.40	282.52	6.76	-34.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C=NN=C2C=C1	REAL300020172528	1	32	-1.0	-41.38	282.47	6.76	-34.62
CC(C)C1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172529	0	46	-1.0	-39.17	376.19	7.71	-31.46
CC(C)C1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172529	1	46	-1.0	-39.12	376.24	7.72	-31.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCCO2	REAL300020172530	0	36	-1.0	-44.41	302.73	5.61	-38.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCCO2	REAL300020172530	1	36	-1.0	-44.35	302.77	5.60	-38.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CS1	REAL300020172531	0	27	-1.0	-37.57	275.10	5.11	-32.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CS1	REAL300020172531	1	27	-1.0	-37.53	275.14	5.11	-32.42
O=C(CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172532	0	44	-1.0	-44.14	389.28	4.04	-40.10
O=C(CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172532	1	44	-1.0	-44.13	389.32	4.03	-40.10
COC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NO2)C(F)=C1	REAL300020172533	0	40	-1.0	-45.61	355.94	5.88	-39.73
COC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NO2)C(F)=C1	REAL300020172533	1	40	-1.0	-45.66	355.89	5.88	-39.78
CS(=O)(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020172534	0	38	-1.0	-44.47	349.47	2.76	-41.71
CS(=O)(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020172534	1	38	-1.0	-44.49	349.52	2.76	-41.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2CCOCC2)C=C1	REAL300020172535	0	43	-1.0	-41.69	344.28	4.30	-37.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2CCOCC2)C=C1	REAL300020172535	1	43	-1.0	-41.72	344.32	4.29	-37.43
CN1C=CN=C1SCC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172536	0	44	-1.0	-45.07	387.34	9.00	-36.07
CN1C=CN=C1SCC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172536	1	44	-1.0	-45.08	387.29	9.00	-36.08
COC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172537	0	43	-1.0	-40.99	358.52	7.04	-33.95
COC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172537	1	43	-1.0	-40.97	358.57	7.05	-33.92
CCC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=CC=C1Cl	REAL300020172538	0	42	-1.0	-53.57	373.71	8.25	-45.32
CCC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=CC=C1Cl	REAL300020172538	1	42	-1.0	-53.49	373.75	8.26	-45.23
O=C(CCC1=CC=C(Br)C=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172539	0	36	-1.0	-38.01	334.28	7.62	-30.39
O=C(CCC1=CC=C(Br)C=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172539	1	36	-1.0	-37.99	334.32	7.63	-30.36
CCN(CC1=CC=CC=C1)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172540	0	51	-1.0	-44.59	411.27	10.60	-33.99
CCN(CC1=CC=CC=C1)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172540	1	51	-1.0	-44.59	411.31	10.61	-33.98
CC(CC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172541	0	39	-1.0	-38.69	329.11	7.49	-31.20
CC(CC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172541	1	39	-1.0	-38.69	329.15	7.49	-31.20
CC(CC1=CC=CC(F)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172542	0	39	-1.0	-38.28	328.55	7.48	-30.80
CC(CC1=CC=CC(F)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172542	1	39	-1.0	-38.28	328.60	7.48	-30.80
C=CCN1C(=O)C(=O)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020172543	0	38	-1.0	-40.90	344.71	4.00	-36.90
C=CCN1C(=O)C(=O)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020172543	1	38	-1.0	-40.89	344.75	4.01	-36.88
CC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172544	0	35	-1.0	-47.26	305.53	6.83	-40.43
CC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172544	1	35	-1.0	-47.24	305.58	6.83	-40.41
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CCN(C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1)C(C)C	REAL300020172546	0	47	-1.0	-42.49	367.25	8.06	-34.43
CCN(C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1)C(C)C	REAL300020172546	1	47	-1.0	-42.45	367.30	8.06	-34.39
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O=C(CC1C(=O)NC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172548	0	38	-1.0	-43.82	321.76	5.77	-38.05
O=C(CC1C(=O)NC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172548	1	38	-1.0	-43.82	321.81	5.77	-38.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2Cl)C=C1	REAL300020172549	0	37	-1.0	-53.24	334.29	7.30	-45.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2Cl)C=C1	REAL300020172549	1	37	-1.0	-52.86	335.25	7.32	-45.54
CCC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020172550	0	35	-1.0	-39.94	309.09	4.72	-35.22
CCC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020172550	1	35	-1.0	-39.91	309.13	4.72	-35.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2=CC=CC=C2Cl)S1	REAL300020172551	0	36	-1.0	-41.71	340.67	7.31	-34.40
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COC1=CC=C(Cl)C=C1NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172552	0	39	-1.0	-39.23	343.11	4.35	-34.88
COC1=CC=C(Cl)C=C1NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172552	1	39	-1.0	-39.17	343.15	4.35	-34.82
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300020172553	0	44	-1.0	-41.62	368.54	8.53	-33.09
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300020172553	1	44	-1.0	-41.66	369.59	8.56	-33.10
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020172554	0	45	0.0	-54.93	360.74	7.08	-47.85
CCN(CC)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020172554	1	44	-1.0	-42.69	355.91	4.59	-38.10
CCN(CC)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020172554	1	44	-1.0	-42.63	355.95	4.59	-38.04
CN(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020172555	0	38	-1.0	-38.00	322.17	5.02	-32.98
CN(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020172555	1	38	-1.0	-37.97	322.22	5.02	-32.95
O=C(CCCOC1=CC=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172556	0	40	-1.0	-41.59	353.52	7.11	-34.48
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CC(C)C1=NC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020172557	0	37	-1.0	-41.76	328.82	5.22	-36.54
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CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCC1	REAL300020172571	0	45	-1.0	-37.55	339.79	7.52	-30.03
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CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C(=S)NN=C1C1=CC=CS1	REAL300020172574	1	40	-1.0	-47.30	359.14	7.04	-40.26
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020172574	1	39	-2.0	-101.29	354.49	6.87	-94.42
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020172574	1	39	-2.0	-101.28	354.53	6.88	-94.40
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O=C(CC1=CNC2=CC(F)=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172576	1	37	-1.0	-40.42	323.50	6.26	-34.16
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020172577	0	36	-1.0	-38.56	316.95	6.22	-32.34
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020172577	1	36	-1.0	-38.56	317.00	6.22	-32.34
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020172578	1	49	0.0	-57.53	382.55	9.11	-48.42
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2=CC=CC=C2)N1	REAL300020172579	0	40	-1.0	-51.96	341.04	6.46	-45.50
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C2=CC=CC=C2)N1	REAL300020172579	1	40	-1.0	-51.94	341.09	6.46	-45.48
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC(C2=CC=CC=C2)=N1	REAL300020172579	1	40	-1.0	-40.30	341.32	6.54	-33.76
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC(C2=CC=CC=C2)=N1	REAL300020172579	1	40	-1.0	-40.27	341.28	6.54	-33.73
NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020172580	0	33	-1.0	-39.14	293.45	0.55	-38.59
NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020172580	1	33	-1.0	-39.15	293.41	0.54	-38.61
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CC[N@H+](CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1)C(C)C	REAL300020172582	0	51	0.0	-59.40	387.72	9.00	-50.40
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1)C(C)C	REAL300020172582	1	51	0.0	-58.66	378.50	8.55	-50.11
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1)C(C)C	REAL300020172582	1	51	0.0	-59.39	387.77	8.99	-50.40
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1)C(C)C	REAL300020172582	1	51	0.0	-58.63	378.54	8.56	-50.07
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CC1CCC(NS(=O)(=O)CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020172584	0	47	-1.0	-45.09	378.64	2.73	-42.36
CC1CCC(NS(=O)(=O)CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020172584	1	47	-1.0	-45.01	378.67	2.75	-42.26
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O=C(CC1CCCC1)NC1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020172586	0	56	-1.0	-42.09	426.09	7.88	-34.21
O=C(CC1CCCC1)NC1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020172586	1	56	-1.0	-42.04	426.14	7.88	-34.16
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172587	0	40	-1.0	-42.35	359.97	8.88	-33.47
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172587	1	40	-1.0	-42.25	359.99	8.90	-33.35
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172588	0	39	-1.0	-40.91	333.68	6.11	-34.80
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172588	1	39	-1.0	-40.84	333.45	6.10	-34.74
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172589	0	39	-1.0	-40.15	339.60	6.89	-33.26
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172589	1	39	-1.0	-40.09	339.40	6.87	-33.22
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CC1=CC=C2C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CNC2=C1	REAL300020172591	0	40	-1.0	-42.13	338.41	6.85	-35.28
CC1=CC=C2C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CNC2=C1	REAL300020172591	1	40	-1.0	-42.20	338.45	6.85	-35.35
CC1=NC(CN2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2)=CS1	REAL300020172592	0	47	-1.0	-41.46	386.65	4.73	-36.73
CC1=NC(CN2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2)=CS1	REAL300020172592	1	47	-1.0	-41.43	386.69	4.73	-36.70
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2)=CS1	REAL300020172592	1	48	0.0	-56.20	389.58	6.86	-49.34
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CCC(C)C(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020172594	0	49	-1.0	-45.73	380.42	6.46	-39.27
CCC(C)C(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020172594	1	49	-1.0	-45.69	380.46	6.47	-39.22
CS(=O)(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020172595	0	38	-1.0	-44.50	340.42	2.27	-42.23
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CS(=O)(=O)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020172597	0	36	-1.0	-55.99	330.26	1.84	-54.15
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CCC1=C([N+](=O)[O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020172599	0	35	-1.0	-46.90	316.69	4.03	-42.87
CCC1=C([N+](=O)[O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020172599	1	35	-1.0	-46.85	316.73	4.02	-42.83
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CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=CC=C1Cl	REAL300020172603	1	36	-1.0	-40.65	323.79	7.39	-33.26
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CC(C)COC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020172610	0	50	-1.0	-40.00	397.87	6.73	-33.27
CC(C)COC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020172610	1	50	-1.0	-40.92	398.88	6.75	-34.17
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CC(=O)N(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020172611	1	46	-1.0	-41.05	382.86	7.50	-33.55
CC(=O)C1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020172612	0	44	-1.0	-52.02	373.53	6.61	-45.41
CC(=O)C1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020172612	1	44	-1.0	-52.03	373.58	6.62	-45.41
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CC1=CC=CC(N2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=N2)=C1	REAL300020172613	1	39	-1.0	-49.18	340.25	5.84	-43.34
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CCC(C)N1N=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C(C)N=C21	REAL300020172616	0	47	-1.0	-39.30	386.00	7.36	-31.94
CCC(C)N1N=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C(C)N=C21	REAL300020172616	1	47	-1.0	-39.28	386.04	7.36	-31.92
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CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2=CC=CO2)O1	REAL300020172618	1	39	-1.0	-48.63	344.46	3.26	-45.37
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CC1=CC=C(CCC(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172624	1	46	-1.0	-41.37	387.97	6.15	-35.22
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C(=O)NC2(CCCC2)C1=O	REAL300020172625	0	45	-1.0	-45.20	364.29	4.20	-41.00
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C(=O)NC2(CCCC2)C1=O	REAL300020172625	1	45	-1.0	-45.08	364.33	4.21	-40.87
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CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2=CSC=C2)O1	REAL300020172628	1	39	-1.0	-42.94	351.69	4.13	-38.81
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N#CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172631	0	34	-1.0	-39.38	306.99	6.55	-32.83
N#CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172631	1	34	-1.0	-39.38	307.04	6.56	-32.82
CC1=NN(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1[N+](=O)[O-]	REAL300020172632	0	41	-1.0	-39.63	360.97	5.93	-33.70
CC1=NN(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1[N+](=O)[O-]	REAL300020172632	1	41	-1.0	-39.62	361.02	5.94	-33.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1	REAL300020172633	0	40	-1.0	-42.61	353.30	7.29	-35.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1	REAL300020172633	1	40	-1.0	-42.58	353.26	7.29	-35.29
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CC(C)(C)C1=CC=C(CCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172635	0	54	-1.0	-39.15	426.72	10.85	-28.30
CC(C)(C)C1=CC=C(CCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172635	1	54	-1.0	-39.10	426.77	10.86	-28.24
CCCCCCCCCC=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172636	0	51	-1.0	-39.15	411.27	10.01	-29.14
CCCCCCCCCC=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172636	1	51	-1.0	-39.11	411.31	10.02	-29.09
CN1C=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC=C21	REAL300020172637	0	37	-1.0	-47.26	313.01	7.22	-40.04
CN1C=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC=C21	REAL300020172637	1	37	-1.0	-47.20	313.06	7.22	-39.98
CC(C)(C)C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020172638	0	38	-1.0	-46.35	330.84	5.03	-41.32
CC(C)(C)C1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020172638	1	38	-1.0	-46.40	330.80	5.02	-41.38
CC(C)C1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020172639	0	35	-1.0	-46.19	310.82	4.48	-41.71
CC(C)C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020172639	1	35	-1.0	-46.13	310.87	4.48	-41.65
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300020172640	1	39	-1.0	-46.10	353.80	4.94	-41.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2CCCC2)N=N1	REAL300020172641	0	40	-1.0	-47.92	332.86	4.15	-43.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2CCCC2)N=N1	REAL300020172641	1	40	-1.0	-47.98	332.81	4.15	-43.83
COC1=CC=C(CN2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)C=C1	REAL300020172642	0	48	-1.0	-42.11	398.94	6.33	-35.78
COC1=CC=C(CN2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=O)C=C1	REAL300020172642	1	48	-1.0	-42.11	398.99	6.34	-35.77
O=C(CNC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172643	0	35	-1.0	-36.63	314.74	4.95	-31.68
O=C(CNC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172643	1	35	-1.0	-36.67	314.78	4.94	-31.73
CC1=CC2=CNN=C2C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172644	0	36	-1.0	-53.23	309.38	4.94	-48.29
CC1=CC2=CNN=C2C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172644	1	36	-1.0	-53.24	309.42	4.94	-48.30
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C2NN=CC2=C1	REAL300020172644	1	36	-1.0	-43.17	307.30	4.94	-38.23
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C2NN=CC2=C1	REAL300020172644	1	36	-1.0	-43.18	307.34	4.94	-38.24
CC(NC(=O)C1=C2C=CC=CC2=NN1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172645	0	43	-1.0	-43.83	366.90	3.51	-40.32
CC(NC(=O)C1=C2C=CC=CC2=NN1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172645	1	43	-1.0	-43.83	366.94	3.51	-40.32
COC(=O)CSCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172646	0	36	-1.0	-42.45	326.13	5.34	-37.11
COC(=O)CSCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172646	1	36	-1.0	-42.40	326.17	5.34	-37.06
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1S(=O)(=O)NCC#N	REAL300020172647	0	42	-1.0	-46.17	373.02	3.10	-43.07
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1S(=O)(=O)NCC#N	REAL300020172647	1	42	-1.0	-46.14	373.07	3.10	-43.04
O=C(CCNC(=O)C1=C2C=CC=CC2=NN1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172648	0	43	-1.0	-46.13	369.66	3.30	-42.83
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O=C(CNS(=O)(=O)C1=CC=C(Cl)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172649	0	35	-1.0	-42.33	349.20	1.49	-40.84
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CC(NC(=O)CC1CCCCC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172650	0	49	-1.0	-41.63	383.74	5.74	-35.89
CC(NC(=O)CC1CCCCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172650	1	49	-1.0	-39.49	384.75	5.77	-33.72
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CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1CCOCC1	REAL300020172653	0	39	-1.0	-38.68	306.46	1.50	-37.18
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CC(C)(C)N1C=CN=C1SCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172654	0	43	-1.0	-43.92	360.83	6.76	-37.16
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CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172655	1	40	0.0	-51.38	332.71	6.81	-44.57
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CS(=O)(=O)CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=CC=CC=C21	REAL300020172656	1	42	-1.0	-59.58	371.97	4.24	-55.34
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172657	0	41	-1.0	-41.47	339.22	6.34	-35.13
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172657	1	41	-1.0	-41.40	339.27	6.35	-35.05
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CC(C)(C)C1=NC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020172659	0	41	-1.0	-40.77	351.85	5.63	-35.14
CC(C)(C)C1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020172659	1	41	-1.0	-40.78	351.90	5.63	-35.15
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1F	REAL300020172660	0	39	-1.0	-41.50	326.00	7.43	-34.07
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1F	REAL300020172660	1	39	-1.0	-41.51	326.05	7.44	-34.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=C(Cl)C=C1	REAL300020172661	0	32	-1.0	-40.05	297.72	5.80	-34.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL300020172661	1	32	-1.0	-39.97	297.76	5.81	-34.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(CC2=CC=C(F)C=C2)S1	REAL300020172662	0	39	-1.0	-40.74	358.40	7.18	-33.56
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O=C(CN1C2=CC=CC=C2CCCC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172663	0	44	-1.0	-44.91	356.76	7.44	-37.47
O=C(CN1C2=CC=CC=C2CCCC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172663	1	44	-1.0	-44.90	356.80	7.45	-37.45
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172664	0	35	-1.0	-41.68	317.48	5.39	-36.29
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172664	1	35	-1.0	-41.69	317.53	5.39	-36.30
O=C(CC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172665	0	33	-1.0	-38.17	301.86	6.64	-31.53
O=C(CC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172665	1	33	-1.0	-38.18	301.90	6.65	-31.53
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)[NH+]1C(C)CCC1C	REAL300020172666	0	45	0.0	-42.61	332.63	6.30	-36.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL300020172667	0	45	-1.0	-42.29	371.63	7.56	-34.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL300020172667	1	45	-1.0	-42.30	371.59	7.55	-34.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL300020172668	0	37	-1.0	-43.77	346.12	5.82	-37.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL300020172668	1	37	-1.0	-43.81	346.08	5.82	-37.99
CC1=NSC2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020172669	0	34	-1.0	-40.10	308.71	4.32	-35.78
CC1=NSC2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020172669	1	34	-1.0	-40.06	308.74	4.32	-35.74
O=C(CNC(=O)CC1CCCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172670	0	46	-1.0	-41.10	364.94	4.92	-36.18
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CC1=NOC(C)=C1C(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172671	0	38	-1.0	-39.21	312.25	5.28	-33.93
CC1=NOC(C)=C1C(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172671	1	38	-1.0	-39.20	312.34	5.28	-33.92
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172672	0	40	-1.0	-44.79	370.28	9.32	-35.47
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172672	1	40	-1.0	-44.40	369.32	9.32	-35.08
CC1=C([N+](=O)[O-])C(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020172673	0	40	-1.0	-37.26	348.52	8.24	-29.02
CC1=C([N+](=O)[O-])C(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020172673	1	40	-1.0	-37.20	348.58	8.24	-28.96
CC(C)OC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172674	0	43	-1.0	-41.96	355.12	7.12	-34.84
CC(C)OC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172674	1	43	-1.0	-41.91	355.16	7.12	-34.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=CN=C2)N=N1	REAL300020172675	0	35	-1.0	-49.26	311.06	6.03	-43.23
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CC1=CC=CN2C=C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C12	REAL300020172676	0	39	-1.0	-48.12	332.65	7.35	-40.77
CC1=CC=CN2C=C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C12	REAL300020172676	1	39	-1.0	-48.10	332.70	7.35	-40.75
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O=C(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172677	1	36	-1.0	-47.38	344.77	7.71	-39.67
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172678	0	38	-1.0	-41.83	322.45	4.58	-37.25
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172678	1	38	-1.0	-41.78	322.50	4.58	-37.20
CN1C(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN=C1C1=CC=CS1	REAL300020172679	0	40	-1.0	-46.23	369.72	7.48	-38.75
CN1C(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN=C1C1=CC=CS1	REAL300020172679	1	40	-1.0	-46.23	369.77	7.49	-38.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300020172680	0	43	-1.0	-42.81	368.29	10.13	-32.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300020172680	1	43	-1.0	-42.85	368.24	10.13	-32.72
COC1=CC=C(CCCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172681	0	49	-1.0	-40.97	401.55	8.61	-32.36
COC1=CC=C(CCCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172681	1	49	-1.0	-40.95	401.59	8.62	-32.33
CCSC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020172682	0	36	-1.0	-39.84	320.74	5.79	-34.05
CCSC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020172682	1	36	-1.0	-39.84	320.69	5.79	-34.05
CN(C)C(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172683	0	40	-1.0	-40.89	331.46	5.30	-35.59
CN(C)C(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172683	1	40	-1.0	-40.90	331.52	5.31	-35.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOC2=CC=CC=C21	REAL300020172684	0	38	-1.0	-41.42	310.42	6.20	-35.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOC2=CC=CC=C21	REAL300020172684	1	38	-1.0	-41.36	309.99	6.21	-35.15
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172685	0	39	-1.0	-47.92	349.12	2.85	-45.07
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172685	1	39	-1.0	-47.88	349.17	2.86	-45.02
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172686	0	40	-1.0	-38.72	353.52	6.75	-31.97
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172686	1	40	-1.0	-38.74	353.57	6.77	-31.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC2CC2)N=C1	REAL300020172687	0	40	-1.0	-39.91	342.19	4.72	-35.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC2CC2)N=C1	REAL300020172687	1	40	-1.0	-39.94	342.14	4.72	-35.22
CCC1=CC=C(C(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172688	0	42	-1.0	-39.25	344.77	8.12	-31.13
CCC1=CC=C(C(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172688	1	42	-1.0	-39.18	344.82	8.13	-31.05
O=C(CCC1=CC=CC(OC2CCCC2)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172689	0	50	-1.0	-39.94	402.88	9.22	-30.72
O=C(CCC1=CC=CC(OC2CCCC2)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172689	1	50	-1.0	-39.91	402.92	9.23	-30.68
O=C(COC1=CC=CC=C1OCC(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172690	0	41	-1.0	-46.20	365.71	7.09	-39.11
O=C(COC1=CC=CC=C1OCC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172690	1	41	-1.0	-46.18	365.76	7.10	-39.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CNC(=O)C2CCCC2)C=C1	REAL300020172691	0	50	-1.0	-43.61	407.02	7.19	-36.42
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CNC(=O)C2CCCC2)C=C1	REAL300020172691	1	50	-1.0	-43.54	407.06	7.20	-36.34
CCCCCS(=O)(=O)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172692	0	41	-1.0	-49.51	353.63	3.41	-46.10
CCCCCS(=O)(=O)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172692	1	41	-1.0	-49.42	353.67	3.41	-46.01
CC(OC1=CC=CC=C1CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172693	0	50	-1.0	-42.07	410.74	10.98	-31.09
CC(OC1=CC=CC=C1CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172693	1	50	-1.0	-42.06	410.79	10.99	-31.07
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)C1CCCCC1	REAL300020172694	0	49	-1.0	-43.53	387.74	6.01	-37.52
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)C1CCCCC1	REAL300020172694	1	49	-1.0	-43.57	387.79	6.02	-37.55
O=C(CCC1=CC=CC=C1OC(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172695	0	40	-1.0	-39.22	352.33	6.81	-32.41
O=C(CCC1=CC=CC=C1OC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172695	1	40	-1.0	-39.20	352.38	6.82	-32.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2=CC=CC=N2)S1	REAL300020172696	0	35	-1.0	-44.61	324.65	4.70	-39.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2=CC=CC=N2)S1	REAL300020172696	1	35	-1.0	-44.62	324.69	4.70	-39.92
CC(C)OC1=CC=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172697	0	44	-1.0	-41.05	365.36	7.54	-33.51
CC(C)OC1=CC=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172697	1	44	-1.0	-41.11	366.20	7.56	-33.55
CC1=CC=CC=C1C1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020172698	0	39	-1.0	-50.67	342.23	6.48	-44.19
CC1=CC=CC=C1C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020172698	1	39	-1.0	-50.64	342.30	6.48	-44.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=CC=C2Cl)=N1	REAL300020172699	0	36	-1.0	-46.37	338.13	6.57	-39.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=CC=C2Cl)=N1	REAL300020172699	1	36	-1.0	-46.37	338.09	6.57	-39.80
CC(C)(C)C1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172700	0	51	-1.0	-39.53	405.24	10.07	-29.46
CC(C)(C)C1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172700	1	51	-1.0	-39.54	405.29	10.08	-29.46
CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172701	0	43	-1.0	-38.11	348.84	3.16	-34.95
CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172701	1	43	-1.0	-38.11	348.88	3.16	-34.95
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172702	0	37	-1.0	-36.84	345.70	7.58	-29.26
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172702	1	37	-1.0	-36.89	345.74	7.58	-29.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=N1	REAL300020172703	0	29	-1.0	-42.18	279.08	4.34	-37.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=N1	REAL300020172703	1	29	-1.0	-42.18	279.04	4.33	-37.85
CC1CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC(C)(C)C1	REAL300020172704	0	48	-1.0	-38.04	360.77	7.92	-30.12
CC1CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC(C)(C)C1	REAL300020172704	1	48	-1.0	-38.02	360.82	7.93	-30.09
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020172705	0	39	-1.0	-43.21	340.66	6.87	-36.34
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020172705	1	39	-1.0	-43.20	340.70	6.87	-36.33
CCCCCCC(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172706	0	47	-1.0	-37.74	368.58	8.30	-29.44
CCCCCCC(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172706	1	47	-1.0	-37.76	368.63	8.31	-29.45
NS(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172707	0	38	-1.0	-45.50	340.31	1.11	-44.39
NS(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172707	1	38	-1.0	-45.47	340.36	1.13	-44.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1NC2=CC=CC=C2S(=O)(=O)N1	REAL300020172708	0	38	-1.0	-52.82	331.30	-0.37	-53.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1NC2=CC=CC=C2S(=O)(=O)N1	REAL300020172708	1	38	-1.0	-52.88	331.37	-0.36	-53.24
O=C(NCCCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172709	0	43	-1.0	-43.87	367.78	5.38	-38.49
O=C(NCCCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172709	1	43	-1.0	-43.89	367.83	5.40	-38.49
CCCN(CCC)C(=O)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172710	0	48	-1.0	-43.49	388.30	6.89	-36.60
CCCN(CCC)C(=O)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172710	1	48	-1.0	-43.43	388.34	6.89	-36.54
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300020172711	0	35	-1.0	-46.92	322.36	4.10	-42.82
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300020172711	1	35	-1.0	-46.87	322.40	4.10	-42.77
COC1=CC=CC=C1NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172712	0	39	-1.0	-40.05	327.41	3.87	-36.18
COC1=CC=CC=C1NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172712	1	39	-1.0	-40.10	327.45	3.88	-36.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020172713	0	42	-1.0	-41.25	342.08	1.13	-40.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020172713	1	42	-1.0	-41.25	342.13	1.13	-40.12
O=C(CNC(=O)NCC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172714	0	42	-1.0	-41.13	377.79	3.89	-37.24
O=C(CNC(=O)NCC1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172714	1	42	-1.0	-41.06	377.84	3.88	-37.18
CC(=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020172715	0	37	-1.0	-41.11	331.07	7.91	-33.20
CC(=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020172715	1	37	-1.0	-41.15	331.12	7.91	-33.24
N#CC1=CC=C(OCC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)O2)C=C1	REAL300020172716	0	42	-1.0	-46.16	377.33	7.30	-38.86
N#CC1=CC=C(OCC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)O2)C=C1	REAL300020172716	1	42	-1.0	-46.15	377.37	7.31	-38.84
COC1=CC=CC=C1C(C)=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172717	0	41	-1.0	-43.32	345.04	6.82	-36.50
COC1=CC=CC=C1C(C)=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172717	1	41	-1.0	-43.31	345.09	6.82	-36.49
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)C1CCCC1	REAL300020172718	0	46	-1.0	-41.15	369.60	5.33	-35.82
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)C1CCCC1	REAL300020172718	1	46	-1.0	-41.09	369.65	5.34	-35.75
CC(SC1=CC=C(C#N)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172719	0	38	-1.0	-40.76	343.73	7.45	-33.31
CC(SC1=CC=C(C#N)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172719	1	38	-1.0	-40.75	343.78	7.46	-33.29
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CC(C)C)=N1	REAL300020172720	0	41	-1.0	-39.94	348.76	6.18	-33.76
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CC(C)C)=N1	REAL300020172720	1	41	-1.0	-39.91	348.79	6.18	-33.73
O=C(CCN1CCCC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172721	0	37	-1.0	-43.55	312.19	4.23	-39.32
O=C(CCN1CCCC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172721	1	37	-1.0	-43.55	312.24	4.23	-39.32
CC1(C)CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020172722	0	46	-1.0	-42.06	353.90	8.73	-33.33
CC1(C)CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020172722	1	46	-1.0	-42.08	354.26	8.71	-33.37
CC1=CC=C(C)C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172723	0	39	-1.0	-39.77	323.32	7.29	-32.48
CC1=CC=C(C)C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172723	1	39	-1.0	-39.76	323.37	7.29	-32.47
O=C(CC1=CNC2=CC(Cl)=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172724	0	37	-1.0	-40.28	333.75	6.69	-33.59
O=C(CC1=CNC2=CC(Cl)=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172724	1	37	-1.0	-40.27	333.80	6.69	-33.58
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172725	0	40	-1.0	-42.02	350.42	7.58	-34.44
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172725	1	40	-1.0	-42.00	350.46	7.58	-34.42
CC1CCN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=N2)CC1	REAL300020172726	0	47	-1.0	-41.70	372.94	6.76	-34.94
CC1CCN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=N2)CC1	REAL300020172726	1	47	-1.0	-41.70	372.89	6.76	-34.94
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2CCCC2)N=C1	REAL300020172727	0	41	-1.0	-42.13	335.30	5.40	-36.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2CCCC2)N=C1	REAL300020172727	1	41	-1.0	-42.15	335.25	5.40	-36.75
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL300020172728	0	42	-1.0	-41.76	345.81	5.82	-35.94
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCOC2=C1	REAL300020172728	1	42	-1.0	-41.79	345.86	5.83	-35.96
O=C(CSCC1CCCCO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172729	0	41	-1.0	-40.37	344.33	5.64	-34.73
O=C(CSCC1CCCCO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172729	1	41	-1.0	-40.40	344.37	5.64	-34.76
CC(=O)NC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL300020172730	0	43	-1.0	-45.79	362.85	6.02	-39.77
CC(=O)NC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL300020172730	1	43	-1.0	-45.81	362.90	6.02	-39.79
CCCS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172731	0	44	-1.0	-47.69	377.71	3.89	-43.80
CCCS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172731	1	44	-1.0	-47.64	377.77	3.89	-43.75
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CC=C(C#N)C=C1	REAL300020172732	0	45	-1.0	-45.81	386.44	9.73	-36.08
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CC=C(C#N)C=C1	REAL300020172732	1	45	-1.0	-45.76	386.49	9.74	-36.02
CC(C)CCC(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172733	0	42	-1.0	-41.09	345.67	3.74	-37.35
CC(C)CCC(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172733	1	42	-1.0	-41.07	345.71	3.74	-37.33
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172734	0	42	-1.0	-44.93	352.03	4.26	-40.67
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172734	1	42	-1.0	-44.98	351.99	4.27	-40.71
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172734	1	41	-2.0	-94.59	349.51	3.36	-91.23
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172734	1	41	-2.0	-94.56	349.55	3.36	-91.20
O=C(COCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NCC1=CC=CN=C1	REAL300020172735	0	43	-1.0	-49.75	375.64	3.90	-45.85
O=C(COCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NCC1=CC=CN=C1	REAL300020172735	1	43	-1.0	-49.78	375.60	3.90	-45.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(CN2CCOCC2)=C1	REAL300020172736	0	46	-1.0	-41.67	369.47	4.38	-37.29
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(CN2CCOCC2)=C1	REAL300020172736	1	46	-1.0	-41.69	369.52	4.39	-37.30
CCC[NH+](CCC)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172737	0	50	0.0	-54.07	383.56	8.08	-45.99
CCC[NH+](CCC)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172737	1	50	0.0	-54.07	383.61	8.09	-45.98
O=C(CC1=CSC(C2=NNC=N2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172738	0	35	-1.0	-49.88	325.57	4.19	-45.69
O=C(CC1=CSC(C2=NNC=N2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172738	1	35	-1.0	-49.88	325.62	4.19	-45.69
CCOC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OCC(=O)OC	REAL300020172739	0	47	-1.0	-44.83	398.33	7.08	-37.75
CCOC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OCC(=O)OC	REAL300020172739	1	47	-1.0	-44.85	398.37	7.08	-37.77
N#CC1=CC=C(OC2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)C=C1	REAL300020172740	0	42	-1.0	-41.64	371.10	8.72	-32.92
N#CC1=CC=C(OC2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)C=C1	REAL300020172740	1	42	-1.0	-41.62	371.14	8.72	-32.90
CCCN(CCC)C(=O)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172741	0	51	-1.0	-45.56	409.79	7.67	-37.89
CCCN(CCC)C(=O)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172741	1	51	-1.0	-45.54	409.84	7.67	-37.87
CCNC(=O)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172742	0	39	-1.0	-46.09	328.73	3.12	-42.97
CCNC(=O)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172742	1	39	-1.0	-46.12	328.78	3.12	-43.00
CCCNC(=O)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172743	0	39	-1.0	-43.30	328.73	3.10	-40.20
CCCNC(=O)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172743	1	39	-1.0	-43.25	328.78	3.11	-40.14
CCCNC(=O)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172744	0	42	-1.0	-46.03	350.23	3.89	-42.14
CCCNC(=O)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172744	1	42	-1.0	-46.00	350.28	3.89	-42.11
CC(C)NC(=O)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172745	0	42	-1.0	-46.16	349.36	3.92	-42.24
CC(C)NC(=O)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172745	1	42	-1.0	-46.17	349.41	3.93	-42.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C(F)=C1	REAL300020172746	0	30	-1.0	-35.47	280.50	5.67	-29.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C(F)=C1	REAL300020172746	1	30	-1.0	-35.45	280.55	5.67	-29.78
COC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172747	0	38	-1.0	-47.23	328.41	3.71	-43.52
COC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172747	1	38	-1.0	-47.19	328.46	3.71	-43.48
O=C(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)[N-]C1=NN=C(C2CC2)O1	REAL300020172748	0	41	-2.0	-98.46	363.10	-0.89	-99.35
O=C(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL300020172748	1	41	-2.0	-98.38	363.15	-0.88	-99.26
O=C(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC1=NN=C(C2CC2)O1	REAL300020172748	1	42	-1.0	-50.61	366.39	0.82	-49.79
O=C(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC1=NN=C(C2CC2)O1	REAL300020172748	1	42	-1.0	-50.60	366.44	0.83	-49.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CSC2=NNC=N2)C=C1	REAL300020172749	0	40	-1.0	-47.18	361.26	7.58	-39.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CSC2=NNC=N2)C=C1	REAL300020172749	1	40	-1.0	-47.13	361.30	7.58	-39.55
COC1=CC=CC=C1C(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172750	0	43	-1.0	-41.85	348.86	6.78	-35.07
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CC1OC2=C(C=CC=C2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC1=O	REAL300020172837	0	39	-1.0	-43.06	329.46	4.49	-38.57
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CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1CC1CC1	REAL300020172841	1	44	-1.0	-45.61	359.91	8.49	-37.12
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CCC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020172846	0	42	-1.0	-38.68	340.67	8.03	-30.65
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CC(C)(C)OC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020172870	1	47	-1.0	-41.40	389.24	5.85	-35.55
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CC1=NC2=C(C(=O)N(C)N2)C(C)=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172878	0	48	-1.0	-44.26	393.85	5.78	-38.48
CC1=NC2=C(C(=O)N(C)N2)C(C)=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172878	1	48	-1.0	-44.26	393.90	5.79	-38.47
CC1=CC=C2OC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=N1	REAL300020172879	0	35	-1.0	-44.41	308.18	4.65	-39.76
CC1=CC=C2OC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=N1	REAL300020172879	1	35	-1.0	-44.41	308.22	4.65	-39.76
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CC(C)COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172881	0	46	-1.0	-40.11	379.09	7.88	-32.23
CC(C)COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172881	1	46	-1.0	-40.12	379.14	7.89	-32.23
CC1=NNC(C)=C1C(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172882	0	39	-1.0	-40.60	315.73	4.03	-36.57
CC1=NNC(C)=C1C(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172882	1	39	-1.0	-40.58	315.77	4.05	-36.53
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1CCC2=CC=CC=C2C1	REAL300020172883	0	45	-1.0	-39.82	350.72	5.59	-34.23
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1CCC2=CC=CC=C2C1	REAL300020172883	1	45	-1.0	-39.68	350.15	5.58	-34.10
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020172883	1	46	0.0	-47.56	359.31	8.25	-39.31
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020172883	1	46	0.0	-45.37	358.83	8.25	-37.12
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CCC1=CC=C(N2N=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C3=C2CCC3)C=C1	REAL300020172885	0	50	-1.0	-53.09	411.88	9.87	-43.22
CCC1=CC=C(N2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C3=C2CCC3)C=C1	REAL300020172885	1	50	-1.0	-53.12	411.92	9.87	-43.25
COC1=CC=CC=C1CC(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172886	0	46	-1.0	-41.91	370.58	7.52	-34.39
COC1=CC=CC=C1CC(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172886	1	46	-1.0	-41.87	370.62	7.53	-34.34
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N#CCN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020172890	0	38	-1.0	-41.49	325.47	7.83	-33.66
N#CCN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020172890	1	38	-1.0	-41.48	325.51	7.83	-33.65
CC1=CC(C)=C(C)C(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172891	0	46	-1.0	-40.10	375.16	7.75	-32.35
CC1=CC(C)=C(C)C(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172891	1	46	-1.0	-40.08	375.21	7.76	-32.32
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CC1=C2C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CNC2=CC=C1	REAL300020172895	0	40	-1.0	-41.98	331.08	6.54	-35.44
CC1=C2C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CNC2=CC=C1	REAL300020172895	1	40	-1.0	-41.86	330.70	6.55	-35.31
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COC1=CC=CC=C1CC(C)=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172898	0	44	-1.0	-41.68	362.08	7.71	-33.97
COC1=CC=CC=C1CC(C)=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172898	1	44	-1.0	-41.64	362.13	7.71	-33.93
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CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C(F)=C2)C=C1	REAL300020172900	0	43	-1.0	-42.08	361.53	9.64	-32.44
CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C(F)=C2)C=C1	REAL300020172900	1	43	-1.0	-42.07	361.57	9.64	-32.43
COC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C(F)=C2)C=C1	REAL300020172901	0	44	-1.0	-43.14	369.56	8.27	-34.87
COC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C(F)=C2)C=C1	REAL300020172901	1	44	-1.0	-43.14	369.60	8.27	-34.87
CC1=C(C2=CC=CC=C2)OC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020172902	0	45	-1.0	-42.45	383.19	6.02	-36.43
CC1=C(C2=CC=CC=C2)OC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020172902	1	45	-1.0	-42.39	383.23	6.02	-36.37
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CC(=O)C1=CSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020172904	0	32	-1.0	-44.27	296.23	4.92	-39.35
CC(=O)C1=CSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172904	1	32	-1.0	-44.25	296.27	4.92	-39.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CC2=CC=CC=C21	REAL300020172905	0	36	-1.0	-43.28	324.59	8.35	-34.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CC2=CC=CC=C21	REAL300020172905	1	36	-1.0	-43.29	324.63	8.35	-34.94
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300020172906	0	37	-1.0	-40.96	323.17	6.67	-34.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300020172906	1	37	-1.0	-40.96	323.12	6.66	-34.30
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=CC=CC=C1Cl	REAL300020172907	0	39	-1.0	-53.18	351.01	6.30	-46.88
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=CC=CC=C1Cl	REAL300020172907	1	39	-1.0	-53.18	351.04	6.30	-46.88
CC1=CC=C2C(=C1)SC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2Cl	REAL300020172908	0	36	-1.0	-42.63	334.64	8.05	-34.58
CC1=CC=C2C(=C1)SC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=C2Cl	REAL300020172908	1	36	-1.0	-42.67	334.68	8.05	-34.62
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CC1=CC=C(N2N=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C3=C2CCCC3)C=C1	REAL300020172911	0	50	-1.0	-51.36	404.89	9.57	-41.79
CC1=CC=C(N2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C3=C2CCCC3)C=C1	REAL300020172911	1	50	-1.0	-51.33	404.95	9.57	-41.76
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=CC=CC2=CN=CC=C21	REAL300020172912	0	44	-1.0	-54.42	374.50	6.29	-48.13
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=CC=CC2=CN=CC=C21	REAL300020172912	1	44	-1.0	-54.43	374.46	6.29	-48.14
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020172913	0	34	-1.0	-39.47	303.41	5.30	-34.17
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020172913	1	34	-1.0	-39.40	303.46	5.30	-34.10
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CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=CC=CC2=NC=CC=C12	REAL300020172915	0	44	-1.0	-51.74	374.46	6.17	-45.57
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=CC=CC2=NC=CC=C12	REAL300020172915	1	44	-1.0	-51.82	374.40	6.17	-45.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1COC2=CC=CC=C21	REAL300020172916	0	35	-1.0	-40.60	299.51	5.19	-35.41
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=CC=CC=C12	REAL300020172917	0	33	-1.0	-41.86	290.20	5.81	-36.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=CC=CC=C12	REAL300020172917	1	33	-1.0	-41.70	289.21	5.80	-35.90
CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020172918	0	40	-1.0	-40.34	332.81	6.45	-33.89
CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020172918	1	40	-1.0	-40.30	332.85	6.46	-33.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC2CCCC2)=C1	REAL300020172919	0	44	-1.0	-41.29	356.83	7.74	-33.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC2CCCC2)=C1	REAL300020172919	1	44	-1.0	-41.23	356.88	7.74	-33.49
CC(C)(C)OC(=O)NCCOCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172920	0	47	-1.0	-43.43	387.15	3.26	-40.17
CC(C)(C)OC(=O)NCCOCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172920	1	47	-1.0	-43.39	387.20	3.26	-40.13
O=C(CN1N=CN2N=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172922	0	35	-1.0	-46.48	313.43	4.34	-42.14
O=C(CN1N=CN2N=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172922	1	35	-1.0	-46.48	313.47	4.33	-42.15
O=C(CC1CCC2=CC=CC=C2C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172923	0	43	-1.0	-40.20	344.27	8.54	-31.66
O=C(CC1CCC2=CC=CC=C2C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172923	1	43	-1.0	-40.25	344.32	8.55	-31.70
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=CC=C1	REAL300020172924	0	41	-1.0	-41.82	343.22	7.29	-34.53
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=CC=C1	REAL300020172924	1	41	-1.0	-41.81	343.27	7.31	-34.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(C2CC2)=N1	REAL300020172925	0	35	-1.0	-44.63	305.11	5.19	-39.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(C2CC2)=N1	REAL300020172925	1	35	-1.0	-44.56	305.15	5.19	-39.37
CCOC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020172926	0	36	-1.0	-37.15	326.56	3.70	-33.45
CCOC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020172926	1	36	-1.0	-37.19	326.52	3.70	-33.49
CS(=O)(=O)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172927	0	35	-1.0	-50.06	311.27	1.50	-48.56
CS(=O)(=O)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172927	1	35	-1.0	-50.02	311.32	1.49	-48.53
O=C(CC1CCCC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172928	0	43	-1.0	-38.95	339.24	8.36	-30.59
O=C(CC1CCCC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172928	1	43	-1.0	-38.93	339.29	8.35	-30.58
O=C(CC1CCC(C2=CC=CC=C2)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172929	0	49	-1.0	-40.60	376.18	9.68	-30.92
O=C(CC1CCC(C2=CC=CC=C2)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172929	1	49	-1.0	-40.62	376.24	9.68	-30.94
CSC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020172930	0	31	-1.0	-40.98	288.97	4.67	-36.31
CSC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020172930	1	31	-1.0	-40.92	289.01	4.67	-36.25
CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172931	0	39	-1.0	-38.94	322.19	7.40	-31.54
CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172931	1	39	-1.0	-38.50	323.20	7.43	-31.07
CC1(C)CCC(C)(C)C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020172932	0	52	-1.0	-41.57	391.06	9.65	-31.92
CC1(C)CCC(C)(C)C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020172932	1	52	-1.0	-41.55	391.10	9.65	-31.90
O=C(CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172933	0	39	-1.0	-43.01	358.74	7.74	-35.27
O=C(CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172933	1	39	-1.0	-43.01	358.79	7.75	-35.26
CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N(C)C1=O	REAL300020172934	0	36	-1.0	-53.04	307.53	3.98	-49.06
CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N(C)C1=O	REAL300020172934	1	36	-1.0	-52.97	307.60	3.98	-48.99
CC(OC1=CC=C(F)C=C1Cl)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172935	0	37	-1.0	-38.39	335.37	7.14	-31.25
CC(OC1=CC=C(F)C=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172935	1	37	-1.0	-38.40	335.42	7.14	-31.26
CN1C(=O)C(=O)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020172936	0	34	-1.0	-42.06	309.84	2.44	-39.62
CN1C(=O)C(=O)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020172936	1	34	-1.0	-42.05	309.88	2.45	-39.60
O=C(CCCCCNC(=O)NC1CCCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172937	0	57	-1.0	-45.45	450.03	6.07	-39.38
O=C(CCCCCNC(=O)NC1CCCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172937	1	57	-1.0	-45.44	450.08	6.06	-39.38
COC1=C(OC)C=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C1	REAL300020172938	0	42	-1.0	-41.14	353.92	4.64	-36.50
COC1=C(OC)C=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C1	REAL300020172938	1	42	-1.0	-41.03	352.95	4.62	-36.41
O=C(CC1=CC=C(Br)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172939	0	30	-1.0	-37.17	297.01	5.98	-31.19
O=C(CC1=CC=C(Br)S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172939	1	30	-1.0	-37.16	297.05	5.98	-31.18
O=C(CCCN1C=CC=CC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172940	0	39	-1.0	-47.49	332.82	6.03	-41.46
O=C(CCCN1C=CC=CC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172940	1	39	-1.0	-47.50	332.87	6.04	-41.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2C=CC=N2)=C1	REAL300020172941	0	37	-1.0	-46.25	319.86	6.69	-39.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2C=CC=N2)=C1	REAL300020172941	1	37	-1.0	-46.25	319.82	6.67	-39.58
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)[NH+]1CCCCCC1	REAL300020172942	0	45	0.0	-44.96	329.98	6.36	-38.60
O=C(CC1=CC=C(Cl)N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172943	0	32	-1.0	-39.91	296.89	4.78	-35.13
O=C(CC1=CC=C(Cl)N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172943	1	32	-1.0	-39.95	296.84	4.77	-35.18
COCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020172944	0	41	-1.0	-41.61	346.38	4.99	-36.62
COCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020172944	1	41	-1.0	-41.61	346.42	4.99	-36.62
CCN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC1=O	REAL300020172945	0	35	-1.0	-40.33	305.79	3.49	-36.84
CCN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC1=O	REAL300020172945	1	35	-1.0	-40.46	304.83	3.47	-36.99
CCCCCC(O)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172946	0	42	-1.0	-40.06	342.80	4.59	-35.47
CCCCCC(O)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172946	1	42	-1.0	-40.09	342.85	4.59	-35.50
CC1CCCCC1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172947	0	43	-1.0	-39.70	339.30	6.78	-32.92
CC1CCCCC1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172947	1	43	-1.0	-39.72	339.34	6.78	-32.94
CC(CSC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172948	0	40	-1.0	-38.83	342.99	7.97	-30.86
CC(CSC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172948	1	40	-1.0	-38.84	343.03	7.98	-30.86
O=C(CC1=CC=CC=C1OC(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172949	0	37	-1.0	-41.84	323.20	5.76	-36.08
O=C(CC1=CC=CC=C1OC(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172949	1	37	-1.0	-41.81	323.24	5.77	-36.04
CC(C)C1=CC=C2C(=C1)SC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2Cl	REAL300020172950	0	42	-1.0	-41.91	373.39	9.31	-32.60
CC(C)C1=CC=C2C(=C1)SC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=C2Cl	REAL300020172950	1	42	-1.0	-41.89	373.44	9.31	-32.58
CC1CCC(N2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)CC1	REAL300020172951	0	50	-1.0	-42.26	387.34	7.09	-35.17
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CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172967	1	43	0.0	-47.72	346.13	7.03	-40.69
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CCN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020172974	0	46	-1.0	-41.37	373.34	6.23	-35.14
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CC1=NN=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)O1	REAL300020172975	1	38	-1.0	-41.87	334.35	2.14	-39.73
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CC1=NNC(C)=C1CC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172977	0	42	-1.0	-40.33	337.38	4.72	-35.61
CC1=NNC(C)=C1CC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172977	1	42	-1.0	-40.31	337.42	4.72	-35.59
CC(C)(C)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020172978	0	38	-1.0	-44.41	322.35	5.44	-38.97
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COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020172979	1	37	-1.0	-40.25	306.23	5.45	-34.80
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CC1=NC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=NN1	REAL300020172981	0	39	-1.0	-44.96	337.54	6.19	-38.77
CC1=NC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=NN1	REAL300020172981	1	39	-1.0	-44.97	337.58	6.19	-38.78
CCN1CCOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020172982	0	39	-1.0	-39.76	313.63	2.58	-37.18
CCN1CCOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020172982	1	39	-1.0	-39.76	313.67	2.58	-37.18
CC[N@@H+]1CCOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020172982	1	40	0.0	-50.11	309.50	4.74	-45.37
CC[N@H+]1CCOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020172982	1	40	0.0	-49.77	309.16	4.70	-45.07
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CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020172984	1	43	-1.0	-54.22	370.25	6.39	-47.83
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CCCCCCC(CC)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173029	1	47	-1.0	-38.27	365.47	8.26	-30.01
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N#CC1=CC=CC(OCCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173032	0	44	-1.0	-41.96	379.83	7.72	-34.24
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COC1=CC=C(C(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173033	0	40	-1.0	-39.89	331.36	5.98	-33.91
COC1=CC=C(C(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173033	1	40	-1.0	-39.88	331.41	5.98	-33.90
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CCC(SC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173035	0	40	-1.0	-41.35	342.93	7.76	-33.59
CCC(SC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173035	1	40	-1.0	-41.38	342.98	7.76	-33.62
CN(C)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020173036	0	37	-1.0	-40.47	309.51	5.29	-35.18
CN(C)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020173036	1	37	-1.0	-40.53	310.47	5.31	-35.22
CS(=O)(=O)NC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173037	0	41	-1.0	-44.20	354.97	2.92	-41.28
CS(=O)(=O)NC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173037	1	41	-1.0	-44.23	355.02	2.92	-41.31
CC(OC1CCCC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173038	0	40	-1.0	-39.41	321.65	6.01	-33.40
CC(OC1CCCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173038	1	40	-1.0	-39.46	321.69	6.02	-33.44
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCCCC2)N=C1	REAL300020173042	0	43	-1.0	-41.99	348.37	6.47	-35.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCCCC2)N=C1	REAL300020173042	1	43	-1.0	-42.03	348.33	6.46	-35.57
CNC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173043	0	37	-1.0	-47.43	317.93	3.77	-43.66
CNC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173043	1	37	-1.0	-47.39	317.97	3.77	-43.62
CC1=CC=CC(Cl)=C1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173044	0	37	-1.0	-41.46	332.74	7.24	-34.22
CC1=CC=CC(Cl)=C1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173044	1	37	-1.0	-41.49	332.79	7.25	-34.24
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CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173047	0	46	-1.0	-40.63	388.12	7.06	-33.57
CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173047	1	46	-1.0	-54.15	388.70	7.10	-47.05
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N#CC1=CC=CC(OCC2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=C1	REAL300020173048	1	45	-1.0	-46.77	393.66	9.15	-37.62
O=C(CCC1=CC(Cl)=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173049	0	33	-1.0	-37.49	314.63	6.56	-30.93
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CC(C)C(=O)N(C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173050	0	49	-1.0	-44.42	397.71	7.87	-36.55
CC(C)C(=O)N(C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173050	1	49	-1.0	-44.48	397.78	7.88	-36.60
CC(C)=CCOC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173051	0	44	-1.0	-41.71	364.94	7.73	-33.98
CC(C)=CCOC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173051	1	44	-1.0	-41.67	364.98	7.73	-33.94
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CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020173086	0	42	-1.0	-39.18	358.69	8.37	-30.81
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020173086	1	42	-1.0	-39.15	358.74	8.37	-30.78
CC(C)C1=CC=C(C(C)CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173087	0	48	-1.0	-38.64	381.19	9.33	-29.31
CC(C)C1=CC=C(C(C)CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173087	1	48	-1.0	-38.62	381.24	9.35	-29.27
CC(CC1=CC=CC=C1F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173088	0	39	-1.0	-42.36	328.87	7.46	-34.90
CC(CC1=CC=CC=C1F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173088	1	39	-1.0	-42.34	328.91	7.46	-34.88
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CC1=C(Cl)C=CC=C1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173090	0	37	-1.0	-39.31	329.17	7.09	-32.22
CC1=C(Cl)C=CC=C1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173090	1	37	-1.0	-39.28	329.21	7.10	-32.18
CC1=CC=CC(C(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173091	0	39	-1.0	-39.43	322.25	7.33	-32.10
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CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173093	0	42	-1.0	-38.36	360.92	8.41	-29.95
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173093	1	42	-1.0	-37.96	361.94	8.44	-29.52
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CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173095	0	52	-1.0	-40.38	400.69	4.64	-35.74
CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173095	1	52	-1.0	-40.33	400.73	4.64	-35.69
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173096	0	42	-1.0	-38.30	360.88	8.40	-29.90
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173096	1	42	-1.0	-38.30	360.92	8.41	-29.89
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CN(C)C(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173099	0	42	-1.0	-52.21	348.96	5.23	-46.98
CN(C)C(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173099	1	42	-1.0	-52.19	349.00	5.23	-46.96
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300020173101	1	32	-1.0	-35.21	305.98	6.78	-28.43
CC1CCC(C)[NH+]1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173102	0	42	0.0	-43.12	318.80	5.77	-37.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=CN2C=CN=C12	REAL300020173103	0	32	-1.0	-52.60	285.36	4.47	-48.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=CN2C=CN=C12	REAL300020173103	1	32	-1.0	-52.60	285.32	4.47	-48.13
O=C(CCC1=NC(C2=COC=C2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173104	0	38	-1.0	-42.51	340.41	3.57	-38.94
O=C(CCC1=NC(C2=COC=C2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173104	1	38	-1.0	-42.51	340.37	3.56	-38.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(N2C=CC=N2)=C1	REAL300020173105	0	36	-1.0	-42.05	316.44	5.97	-36.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(N2C=CC=N2)=C1	REAL300020173105	1	36	-1.0	-42.10	317.40	5.99	-36.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2COCC(C1)C2=O	REAL300020173106	0	40	-1.0	-39.16	313.97	5.03	-34.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2COCC(C1)C2=O	REAL300020173106	1	40	-1.0	-39.09	314.02	5.03	-34.06
CCCCSCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173107	0	39	-1.0	-37.99	335.33	6.88	-31.11
CCCCSCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173107	1	39	-1.0	-37.93	335.38	6.88	-31.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(CC2=CC=CC=C2F)=N1	REAL300020173108	0	39	-1.0	-44.01	357.57	7.01	-37.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(CC2=CC=CC=C2F)=N1	REAL300020173108	1	39	-1.0	-43.96	357.61	7.01	-36.95
O=C(CC1=CC=C([N+](=O)[O-])C=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173109	0	35	-1.0	-38.08	327.58	7.24	-30.84
O=C(CC1=CC=C([N+](=O)[O-])C=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173109	1	35	-1.0	-38.11	327.63	7.24	-30.87
CC(=O)N[C@@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(N)=O	REAL300020173110	0	37	-1.0	-45.68	320.27	-1.16	-46.84
CC(=O)N[C@@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(N)=O	REAL300020173110	1	37	-1.0	-45.66	320.32	-1.15	-46.81
O=C(CC1CN(CC2=CC=CC=C2)CCO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173111	0	49	-1.0	-42.09	393.56	6.09	-36.00
O=C(CC1CN(CC2=CC=CC=C2)CCO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173111	1	49	-1.0	-42.10	393.60	6.10	-36.00
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173111	1	50	0.0	-61.51	396.01	8.37	-53.14
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173111	1	50	0.0	-62.14	395.08	8.33	-53.81
COC1=CC=C(NC2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)C=C1	REAL300020173112	0	42	-1.0	-45.21	369.67	5.20	-40.01
COC1=CC=C(NC2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)C=C1	REAL300020173112	1	42	-1.0	-45.25	369.61	5.21	-40.04
O=C(CC1=CNC2=CC=C(Cl)C=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173113	0	37	-1.0	-41.75	333.84	6.70	-35.05
O=C(CC1=CNC2=CC=C(Cl)C=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173113	1	37	-1.0	-41.71	333.89	6.70	-35.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2C=CN=C2)=C1	REAL300020173114	0	37	-1.0	-41.94	317.42	7.86	-34.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2C=CN=C2)=C1	REAL300020173114	1	37	-1.0	-41.96	317.47	7.85	-34.11
CCC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020173115	0	42	-1.0	-52.36	358.67	7.54	-44.82
CCC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020173115	1	42	-1.0	-51.16	357.74	7.52	-43.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2O1	REAL300020173116	0	33	-1.0	-41.15	298.22	5.92	-35.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2O1	REAL300020173116	1	33	-1.0	-41.14	298.26	5.92	-35.22
O=C(CCCC1=NC(C2CC2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173117	0	41	-1.0	-43.13	351.98	4.85	-38.28
O=C(CCCC1=NC(C2CC2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173117	1	41	-1.0	-43.13	352.02	4.86	-38.27
CC(OC1=CC=CN=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173118	0	36	-1.0	-39.78	307.99	4.78	-35.00
CC(OC1=CC=CN=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173118	1	36	-1.0	-39.81	307.94	4.77	-35.04
CC1=CSC(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=N1	REAL300020173119	0	39	-1.0	-40.66	346.77	6.94	-33.72
CC1=CSC(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=N1	REAL300020173119	1	39	-1.0	-40.65	347.73	6.96	-33.69
O=C(CNC(C1=CC=CC=C1)C(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173120	0	41	-1.0	-39.02	355.02	5.47	-33.55
O=C(CNC(C1=CC=CC=C1)C(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173120	1	41	-1.0	-39.02	355.06	5.48	-33.54
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=C1CCC2	REAL300020173121	0	42	-1.0	-51.12	359.90	2.32	-48.80
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC2=C1CCC2	REAL300020173121	1	42	-1.0	-51.07	359.94	2.32	-48.75
O=C(CN1CCN(C2=CC=CC=N2)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173122	0	46	-1.0	-41.21	367.84	3.88	-37.33
O=C(CN1CCN(C2=CC=CC=N2)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173122	1	46	-1.0	-41.16	367.88	3.88	-37.28
CCOC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020173123	0	36	-1.0	-38.43	310.78	3.14	-35.29
CCOC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020173123	1	36	-1.0	-38.43	309.73	3.11	-35.32
CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173124	0	49	-1.0	-39.55	377.15	4.05	-35.50
CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173124	1	49	-1.0	-39.59	377.20	4.06	-35.53
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300020173125	0	39	-1.0	-44.42	341.94	6.49	-37.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300020173125	1	39	-1.0	-44.37	341.98	6.49	-37.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)NC2=CC(F)=CC=C21	REAL300020173126	0	36	-1.0	-42.44	313.13	4.56	-37.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)NC2=CC(F)=CC=C21	REAL300020173126	1	36	-1.0	-42.44	313.23	4.56	-37.88
CC1=NC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020173127	0	31	-1.0	-41.23	287.32	3.99	-37.24
CC1=NC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020173127	1	31	-1.0	-41.20	287.37	4.00	-37.20
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NC2=C1C(=O)NC(=O)N2	REAL300020173128	0	38	-1.0	-41.89	329.34	1.69	-40.20
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NC2=C1C(=O)NC(=O)N2	REAL300020173128	1	38	-1.0	-41.89	329.39	1.69	-40.20
CC(C)C1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=CC(F)=C1	REAL300020173129	0	45	-1.0	-47.60	384.83	8.03	-39.57
CC(C)C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=CC(F)=C1	REAL300020173129	1	45	-1.0	-47.52	384.88	8.03	-39.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(N2CCCCC2)=N1	REAL300020173130	0	43	-1.0	-46.14	350.24	6.39	-39.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(N2CCCCC2)=N1	REAL300020173130	1	43	-1.0	-46.17	350.19	6.39	-39.78
CC1=NOC(C)=C1CC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173131	0	41	-1.0	-39.37	334.84	5.98	-33.39
CC1=NOC(C)=C1CC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173131	1	41	-1.0	-39.30	334.89	5.98	-33.32
CC1=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC=C2C=C1	REAL300020173132	0	38	-1.0	-49.87	322.18	6.89	-42.98
CC1=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC=C2C=C1	REAL300020173132	1	38	-1.0	-49.82	322.22	6.89	-42.93
CC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C2C=CC=CN12	REAL300020173133	0	36	-1.0	-55.86	310.20	6.56	-49.30
CC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C2C=CC=CN12	REAL300020173133	1	36	-1.0	-55.83	310.25	6.58	-49.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2=CC(F)=CC=C2O1	REAL300020173134	0	35	-1.0	-39.19	307.19	6.34	-32.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2=CC(F)=CC=C2O1	REAL300020173134	1	35	-1.0	-39.14	307.23	6.34	-32.80
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173135	0	42	0.0	-64.26	339.85	7.39	-56.87
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173135	1	42	0.0	-64.29	339.90	7.39	-56.90
CC[NH+]1CCN(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020173136	0	47	0.0	-55.44	358.15	4.38	-51.06
CC[NH+]1CCN(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020173136	1	47	0.0	-55.42	358.19	4.39	-51.03
CC1=CC=C(N2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2)N=C1	REAL300020173137	0	47	-1.0	-41.52	374.73	6.67	-34.85
CC1=CC=C(N2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2)N=C1	REAL300020173137	1	47	-1.0	-41.54	374.78	6.67	-34.87
COCCNS(=O)(=O)C1=CNC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173138	0	43	-1.0	-44.93	380.84	-0.69	-45.62
COCCNS(=O)(=O)C1=CNC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173138	1	43	-1.0	-45.65	381.84	-0.68	-46.33
CC(C)NS(=O)(=O)C1=CNC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173139	0	42	-1.0	-42.94	364.76	0.76	-42.18
CC(C)NS(=O)(=O)C1=CNC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173139	1	42	-1.0	-44.00	365.76	0.77	-43.23
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020173140	0	39	-1.0	-49.53	360.43	-3.30	-52.83
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020173140	1	39	-1.0	-49.51	360.47	-3.30	-52.81
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020173140	1	38	-2.0	-105.30	360.24	-3.68	-108.98
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020173140	1	38	-2.0	-105.20	360.28	-3.67	-108.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300020173141	0	43	-1.0	-53.19	363.23	4.63	-48.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300020173141	1	43	-1.0	-53.14	363.27	4.63	-48.51
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C2=CC=CC=C2F)O1	REAL300020173142	0	39	-1.0	-47.56	344.22	4.81	-42.75
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2=CC=CC=C2F)O1	REAL300020173142	1	39	-1.0	-47.61	344.18	4.81	-42.80
O=C(CCSC1=CC=C2OCCCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173143	0	46	-1.0	-40.70	389.13	7.35	-33.35
O=C(CCSC1=CC=C2OCCCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173143	1	46	-1.0	-40.68	389.18	7.36	-33.32
CC(CCC1=CC=CC(F)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173144	0	42	-1.0	-39.60	350.88	8.30	-31.30
CC(CCC1=CC=CC(F)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173144	1	42	-1.0	-40.58	351.90	8.33	-32.25
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC(=O)NC1=O	REAL300020173145	0	32	-1.0	-38.37	280.85	-1.92	-40.29
NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC(=O)NC1=O	REAL300020173145	1	32	-1.0	-38.36	280.90	-1.92	-40.28
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173146	0	48	-1.0	-44.13	394.15	5.28	-38.85
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173146	1	48	-1.0	-44.13	394.19	5.29	-38.84
COC(=O)C1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020173147	0	42	-1.0	-40.41	334.66	6.17	-34.24
COC(=O)C1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020173147	1	42	-1.0	-40.46	334.71	6.18	-34.28
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=O)C=C1	REAL300020173148	0	40	-2.0	-101.65	349.75	5.82	-95.83
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=O)C=C1	REAL300020173148	1	40	-2.0	-101.59	349.80	5.82	-95.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C2=CC=CC(F)=C2)=N1	REAL300020173149	0	35	-1.0	-44.07	321.84	4.11	-39.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=CC(F)=C2)=N1	REAL300020173149	1	35	-1.0	-44.13	321.79	4.10	-40.03
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COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(NC(C)=O)=C1OC	REAL300020173200	0	45	-1.0	-47.03	378.36	3.82	-43.21
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(NC(C)=O)=C1OC	REAL300020173200	1	45	-1.0	-46.98	378.41	3.82	-43.16
CC(CCC1=CC=CC=C1F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173201	0	42	-1.0	-40.49	350.55	8.28	-32.21
CC(CCC1=CC=CC=C1F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173201	1	42	-1.0	-40.49	350.59	8.28	-32.21
COCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020173202	0	33	-1.0	-45.52	295.82	2.64	-42.88
COCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020173202	1	33	-1.0	-45.55	295.86	2.64	-42.91
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL300020173203	0	39	-1.0	-39.70	333.66	7.47	-32.23
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300020173203	1	39	-1.0	-39.68	333.71	7.47	-32.21
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020173204	0	36	-1.0	-38.72	312.75	6.76	-31.96
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020173204	1	36	-1.0	-38.69	312.80	6.76	-31.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C2=CC=CC(Cl)=C2)C1=O	REAL300020173205	0	41	-1.0	-52.01	354.69	7.04	-44.97
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CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173206	0	40	-1.0	-38.45	357.31	7.75	-30.70
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173206	1	40	-1.0	-38.46	357.36	7.77	-30.69
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300020173207	0	36	-1.0	-38.52	314.02	6.79	-31.73
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300020173207	1	36	-1.0	-38.44	314.06	6.79	-31.65
CCCC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300020173208	0	45	-1.0	-55.55	386.71	8.48	-47.07
CCCC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300020173208	1	45	-1.0	-55.56	386.76	8.48	-47.08
CCCC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020173209	0	35	-1.0	-40.96	312.83	4.89	-36.07
CCCC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020173209	1	35	-1.0	-40.92	312.87	4.89	-36.03
CC(C)(C)C(=O)N1CCOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020173210	0	47	-1.0	-48.96	364.32	4.62	-44.34
CC(C)(C)C(=O)N1CCOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020173210	1	47	-1.0	-48.94	364.37	4.63	-44.31
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020173211	0	36	-1.0	-37.51	317.57	7.16	-30.35
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020173211	1	36	-1.0	-37.52	317.62	7.17	-30.35
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)O2)C=C1	REAL300020173212	0	49	-1.0	-45.96	400.29	9.52	-36.44
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)O2)C=C1	REAL300020173212	1	49	-1.0	-45.90	400.34	9.53	-36.37
CCC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)O2)C=C1	REAL300020173213	0	43	-1.0	-46.14	367.07	8.65	-37.49
CCC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)O2)C=C1	REAL300020173213	1	43	-1.0	-46.11	367.11	8.65	-37.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2CCC2)C=C1	REAL300020173214	0	41	-1.0	-41.15	339.27	7.07	-34.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2CCC2)C=C1	REAL300020173214	1	41	-1.0	-41.13	339.33	7.07	-34.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC=C1Cl	REAL300020173215	0	29	-1.0	-37.46	269.43	4.23	-33.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC=C1Cl	REAL300020173215	1	29	-1.0	-37.49	269.39	4.23	-33.26
CC1=CC=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173216	0	33	-1.0	-40.89	298.62	6.78	-34.11
CC1=CC=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173216	1	33	-1.0	-40.91	298.67	6.78	-34.13
CN1C=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020173217	0	41	-1.0	-44.47	350.84	8.46	-36.01
CN1C=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020173217	1	41	-1.0	-44.49	350.89	8.46	-36.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2C=CSC2=C1	REAL300020173218	0	32	-1.0	-42.12	293.21	4.92	-37.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2C=CSC2=C1	REAL300020173218	1	32	-1.0	-42.15	293.16	4.92	-37.23
O=C(CCC1CCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173219	0	40	-1.0	-39.16	319.46	4.75	-34.41
O=C(CCC1CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173219	1	40	-1.0	-39.16	319.51	4.75	-34.41
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173220	0	40	-1.0	-55.04	359.62	0.00	-55.04
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173220	1	40	-1.0	-55.02	359.66	0.00	-55.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=CC=N2)=NO1	REAL300020173221	0	35	-1.0	-43.34	315.64	4.73	-38.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=CC=N2)=NO1	REAL300020173221	1	35	-1.0	-43.34	315.68	4.73	-38.61
CC(C)(C)C(=O)CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020173222	0	43	-1.0	-57.04	364.08	4.51	-52.53
CC(C)(C)C(=O)CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020173222	1	43	-1.0	-57.11	364.04	4.51	-52.60
NC(=O)C1=CC(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN1	REAL300020173223	0	40	-1.0	-51.06	364.10	-3.63	-54.69
NC(=O)C1=CC(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CN1	REAL300020173223	1	40	-1.0	-51.08	364.15	-3.61	-54.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCSC2=CC=CC=C21	REAL300020173224	0	38	-1.0	-40.57	321.35	7.68	-32.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCSC2=CC=CC=C21	REAL300020173224	1	38	-1.0	-40.68	321.34	7.67	-33.01
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173225	0	40	-1.0	-44.53	349.59	7.37	-37.16
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173225	1	40	-1.0	-44.55	349.63	7.37	-37.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1Cl	REAL300020173226	0	30	-1.0	-39.01	279.89	6.04	-32.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1Cl	REAL300020173226	1	30	-1.0	-39.00	279.93	6.05	-32.95
CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020173227	0	40	-1.0	-48.83	341.85	6.94	-41.89
CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020173227	1	40	-1.0	-48.78	341.89	6.96	-41.82
CN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL300020173228	0	41	-1.0	-40.98	333.34	8.36	-32.62
CN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL300020173228	1	41	-1.0	-40.98	333.43	8.38	-32.60
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1N1C=NC=N1	REAL300020173229	0	39	-1.0	-40.89	330.01	8.95	-31.94
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1N1C=NC=N1	REAL300020173229	1	39	-1.0	-40.92	329.96	8.93	-31.99
CC1=CC(N2C=NC=N2)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173230	0	39	-1.0	-41.23	330.05	8.65	-32.58
CC1=CC(N2C=NC=N2)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173230	1	39	-1.0	-41.15	329.82	8.65	-32.50
CC1=NC(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020173231	0	33	-1.0	-44.39	304.81	3.66	-40.73
CC1=NC(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020173231	1	33	-1.0	-44.42	304.86	3.68	-40.74
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020173232	0	41	-1.0	-41.92	355.63	5.79	-36.13
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020173232	1	41	-1.0	-41.93	355.68	5.79	-36.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2CC2)=NC2=CC=C(F)C=C21	REAL300020173233	0	42	-1.0	-39.12	352.43	7.97	-31.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2CC2)=NC2=CC=C(F)C=C21	REAL300020173233	1	42	-1.0	-40.07	354.15	7.96	-32.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC12CCC1=CC=CC=C12	REAL300020173234	0	41	-1.0	-44.77	335.37	8.34	-36.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC12CCC1=CC=CC=C12	REAL300020173234	1	41	-1.0	-44.75	335.41	8.34	-36.41
COCCCOC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173235	0	44	-1.0	-42.96	368.00	5.58	-37.38
COCCCOC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173235	1	44	-1.0	-42.93	368.05	5.58	-37.35
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C1CC1	REAL300020173236	0	37	-1.0	-47.66	317.41	5.25	-42.41
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C1CC1	REAL300020173236	1	37	-1.0	-47.65	317.45	5.25	-42.40
CC1=NN(C)C(C)=C1CC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173237	0	45	-1.0	-41.52	358.78	5.96	-35.56
CC1=NN(C)C(C)=C1CC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173237	1	45	-1.0	-41.49	358.83	5.97	-35.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC(F)=C2O1	REAL300020173238	0	33	-1.0	-49.07	299.13	5.93	-43.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC(F)=C2O1	REAL300020173238	1	33	-1.0	-48.90	298.17	5.92	-42.98
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1NC(=O)CC(C)C	REAL300020173239	0	49	-1.0	-50.72	395.59	7.40	-43.32
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1NC(=O)CC(C)C	REAL300020173239	1	49	-1.0	-50.71	395.64	7.41	-43.30
CC1=CC=CC(C)=C1NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173240	0	41	-1.0	-39.22	332.65	5.68	-33.54
CC1=CC=CC(C)=C1NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173240	1	41	-1.0	-39.20	332.71	5.68	-33.52
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(OC)=C1OC(F)F	REAL300020173241	0	42	-1.0	-41.57	363.04	5.03	-36.54
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(OC)=C1OC(F)F	REAL300020173241	1	42	-1.0	-41.60	363.09	5.03	-36.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020173242	0	47	-1.0	-42.33	377.60	7.25	-35.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020173242	1	47	-1.0	-42.42	376.63	7.23	-35.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2CCOCC2)C=C1	REAL300020173243	0	45	-1.0	-41.79	365.22	5.96	-35.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2CCOCC2)C=C1	REAL300020173243	1	45	-1.0	-41.75	365.26	5.96	-35.79
CCCCCCC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173244	0	44	-1.0	-38.10	349.03	7.55	-30.55
CCCCCCC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173244	1	44	-1.0	-38.06	349.09	7.56	-30.50
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1N1CCNC1=O	REAL300020173245	0	44	-1.0	-48.45	370.50	3.88	-44.57
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1N1CCNC1=O	REAL300020173245	1	44	-1.0	-48.44	370.54	3.88	-44.56
CC(C)CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020173246	0	46	-1.0	-43.11	381.05	6.66	-36.45
CC(C)CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020173246	1	46	-1.0	-43.08	381.10	6.66	-36.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC(=O)C(Br)=C1	REAL300020173247	0	30	-1.0	-43.36	286.62	3.04	-40.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC(=O)C(Br)=C1	REAL300020173247	1	30	-1.0	-43.39	286.67	3.04	-40.35
O=C(C=CC1=CC(Br)=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173248	0	31	-1.0	-38.99	306.70	6.37	-32.62
O=C(C=CC1=CC(Br)=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173248	1	31	-1.0	-38.96	306.74	6.37	-32.59
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2=CSC=N2)=C1	REAL300020173249	0	36	-1.0	-45.50	324.11	6.20	-39.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2=CSC=N2)=C1	REAL300020173249	1	36	-1.0	-45.54	324.06	6.20	-39.34
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2CCCC2)=N1	REAL300020173250	0	42	-1.0	-40.15	351.46	6.52	-33.63
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2CCCC2)=N1	REAL300020173250	1	42	-1.0	-40.10	351.50	6.53	-33.57
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CC(C)(C)OC(=O)N1CCCC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173303	0	50	-1.0	-42.19	392.71	6.31	-35.88
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CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020173311	1	47	-1.0	-45.40	394.21	4.13	-41.27
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300020173312	0	33	-1.0	-37.29	314.97	6.60	-30.69
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300020173312	1	33	-1.0	-37.24	315.01	6.59	-30.65
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CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173314	0	45	-1.0	-56.93	373.60	4.73	-52.20
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CC(CCOC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173315	0	43	-1.0	-40.29	352.92	7.06	-33.23
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CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020173316	0	33	-1.0	-41.37	300.95	6.68	-34.69
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CC1=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300020173320	1	45	-1.0	-42.01	369.11	8.55	-33.46
CC(C)(C)OC(=O)N1CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020173321	0	48	-1.0	-48.30	395.04	5.08	-43.22
CC(C)(C)OC(=O)N1CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020173321	1	48	-1.0	-48.23	395.08	5.09	-43.14
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CN1C=CN=C1CN1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020173322	1	48	-1.0	-44.82	380.37	5.01	-39.81
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CC(C)(C)OC(=O)NC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCC1	REAL300020173324	0	50	-1.0	-40.51	391.81	5.72	-34.79
CC(C)(C)OC(=O)NC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCC1	REAL300020173324	1	50	-1.0	-40.44	391.86	5.73	-34.71
CS(=O)(=O)CC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020173325	0	39	-1.0	-54.15	338.02	2.78	-51.37
CS(=O)(=O)CC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020173325	1	39	-1.0	-54.07	338.05	2.79	-51.28
CC(CN(C)C(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173326	0	49	-1.0	-42.98	384.07	5.98	-37.00
CC(CN(C)C(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173326	1	49	-1.0	-42.94	384.12	5.98	-36.96
CC(C)OCCS(=O)(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173327	0	44	-1.0	-45.45	379.90	0.35	-45.10
CC(C)OCCS(=O)(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173327	1	44	-1.0	-45.44	379.94	0.35	-45.09
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)N=C1	REAL300020173328	0	40	-1.0	-42.97	364.02	6.24	-36.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2Cl)N=C1	REAL300020173328	1	40	-1.0	-42.94	363.97	6.24	-36.70
CC1=C(C2=CC=CC=C2)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N1	REAL300020173329	0	43	-1.0	-56.04	361.58	6.81	-49.23
CC1=C(C2=CC=CC=C2)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N1	REAL300020173329	1	43	-1.0	-55.93	361.65	6.82	-49.11
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)N2C=CC=CC2=N1	REAL300020173330	1	33	-1.0	-51.33	297.70	5.93	-45.40
COC(=O)C1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020173331	0	35	-1.0	-45.48	317.14	2.73	-42.75
COC(=O)C1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020173331	1	35	-1.0	-45.51	317.10	2.72	-42.79
CC1C(=O)NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1C	REAL300020173332	0	43	-1.0	-41.62	348.65	3.20	-38.42
CC1C(=O)NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1C	REAL300020173332	1	43	-1.0	-41.65	348.70	3.20	-38.45
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173333	0	29	-2.0	-83.28	307.48	3.35	-79.93
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173333	1	29	-2.0	-83.31	307.53	3.37	-79.94
O=C(CSC1=NNC(=S)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173333	1	30	-1.0	-38.91	309.89	3.48	-35.43
O=C(CSC1=NNC(=S)S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173333	1	30	-1.0	-38.92	309.93	3.48	-35.44
O=C(CC1=COC2=CC(F)=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173334	0	36	-1.0	-39.49	319.38	6.56	-32.93
O=C(CC1=COC2=CC(F)=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173334	1	36	-1.0	-39.45	319.42	6.56	-32.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)N=C1	REAL300020173335	0	29	-1.0	-39.42	277.99	4.22	-35.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)N=C1	REAL300020173335	1	29	-1.0	-39.44	277.94	4.21	-35.23
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020173336	0	47	-1.0	-45.46	382.32	5.53	-39.93
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020173336	1	47	-1.0	-45.42	382.36	5.53	-39.89
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)S1	REAL300020173337	0	33	-1.0	-37.20	310.34	6.49	-30.71
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL300020173337	1	33	-1.0	-37.25	310.38	6.50	-30.75
CC1=NC(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020173338	0	38	-1.0	-41.91	335.27	5.46	-36.45
CC1=NC(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020173338	1	38	-1.0	-41.86	335.32	5.47	-36.39
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173339	0	50	-1.0	-41.18	380.53	7.75	-33.43
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173339	1	50	-1.0	-41.16	380.58	7.76	-33.40
O=C(CC=CC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173340	0	37	-1.0	-38.83	323.58	7.54	-31.29
O=C(CC=CC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173340	1	37	-1.0	-38.82	323.63	7.55	-31.27
CC1=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C(C3CC3)N=C2C(C)=C1	REAL300020173341	0	48	-1.0	-41.62	387.74	9.36	-32.26
CC1=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C(C3CC3)N=C2C(C)=C1	REAL300020173341	1	48	-1.0	-42.05	388.82	9.39	-32.66
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C2C=NN(C)C2=N1	REAL300020173342	0	38	-1.0	-39.17	325.08	5.15	-34.02
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C2C=NN(C)C2=N1	REAL300020173342	1	38	-1.0	-39.22	325.13	5.16	-34.06
CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020173343	0	38	-1.0	-41.50	335.77	1.45	-40.05
CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020173343	1	38	-1.0	-41.47	335.82	1.45	-40.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(OCC2=CC=CC=C2)C1	REAL300020173344	0	44	-1.0	-39.33	366.47	7.39	-31.94
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(OCC2=CC=CC=C2)C1	REAL300020173344	1	44	-1.0	-39.32	366.51	7.40	-31.92
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2N=NN=C2C=C1	REAL300020173345	0	31	-1.0	-36.50	277.98	3.61	-32.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2N=NN=C2C=C1	REAL300020173345	1	31	-1.0	-36.50	277.94	3.61	-32.89
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173346	0	52	-1.0	-39.80	414.99	11.50	-28.30
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173346	1	52	-1.0	-39.78	415.04	11.50	-28.28
CCC(OC1=CC=CC=C1F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173347	0	40	-1.0	-42.00	332.56	7.20	-34.80
CCC(OC1=CC=CC=C1F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173347	1	40	-1.0	-42.90	331.49	7.17	-35.73
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020173348	0	36	-1.0	-37.53	333.23	7.64	-29.89
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300020173348	1	36	-1.0	-37.50	333.28	7.64	-29.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=CC=C2)N=C1	REAL300020173349	0	37	-1.0	-42.33	319.60	7.55	-34.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=CC=C2)N=C1	REAL300020173349	1	37	-1.0	-42.37	319.56	7.55	-34.82
CC1=CC(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)S1	REAL300020173350	0	42	-1.0	-39.39	358.76	8.14	-31.25
CC1=CC(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)S1	REAL300020173350	1	42	-1.0	-39.36	358.80	8.15	-31.21
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(S(=O)(=O)N(C)C)O1	REAL300020173351	0	41	-1.0	-46.95	361.90	2.25	-44.70
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(S(=O)(=O)N(C)C)O1	REAL300020173351	1	41	-1.0	-46.89	361.94	2.25	-44.64
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020173352	0	42	-1.0	-40.55	347.23	8.92	-31.63
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020173352	1	42	-1.0	-40.53	347.28	8.92	-31.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC(Cl)=C2O1	REAL300020173353	0	33	-1.0	-47.14	309.46	6.38	-40.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC(Cl)=C2O1	REAL300020173353	1	33	-1.0	-47.05	308.49	6.37	-40.68
O=C(CCC1CCCOC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173354	0	40	-1.0	-39.08	319.36	4.74	-34.34
O=C(CCC1CCCOC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173354	1	40	-1.0	-39.04	319.41	4.76	-34.28
CCC(C)OC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173355	0	43	-1.0	-41.15	353.29	7.23	-33.92
CCC(C)OC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173355	1	43	-1.0	-41.06	353.33	7.23	-33.83
CN1N=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C21	REAL300020173356	0	35	-1.0	-42.28	306.03	4.63	-37.65
CN1N=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C21	REAL300020173356	1	35	-1.0	-42.28	305.98	4.62	-37.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CSCCS1	REAL300020173357	0	32	-1.0	-39.92	289.86	5.21	-34.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CSCCS1	REAL300020173357	1	32	-1.0	-39.85	289.90	5.21	-34.64
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020173358	0	35	-1.0	-39.27	311.48	4.30	-34.97
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020173358	1	35	-1.0	-39.27	312.44	4.33	-34.94
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020173359	0	40	-2.0	-110.12	357.29	5.71	-104.41
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020173359	1	40	-2.0	-110.04	357.34	5.70	-104.34
O=C(CCOC1CCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173360	0	41	-1.0	-39.10	334.75	3.50	-35.60
O=C(CCOC1CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173360	1	41	-1.0	-39.10	334.80	3.50	-35.60
CC1=CC(O)=CC(=O)N1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173361	0	40	-1.0	-51.37	337.54	2.78	-48.59
CC1=CC(O)=CC(=O)N1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173361	1	40	-1.0	-51.31	337.59	2.79	-48.52
CC1=CC(O)=CC(=O)N1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173362	0	37	-1.0	-51.47	316.54	2.33	-49.14
CC1=CC(O)=CC(=O)N1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173362	1	37	-1.0	-51.43	316.59	2.32	-49.11
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020173363	0	42	-1.0	-47.40	362.57	4.21	-43.19
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020173363	1	42	-1.0	-47.42	362.62	4.21	-43.21
COC1=CC=CC(C(C)CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173364	0	43	-1.0	-40.57	349.45	6.65	-33.92
COC1=CC=CC(C(C)CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173364	1	43	-1.0	-40.55	349.50	6.66	-33.89
CC(=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1OC(F)F	REAL300020173365	0	41	-1.0	-43.05	354.80	7.10	-35.95
CC(=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1OC(F)F	REAL300020173365	1	41	-1.0	-43.07	354.85	7.10	-35.97
CNS(=O)(=O)C1=CSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173366	0	35	-1.0	-44.86	331.56	0.61	-44.25
CNS(=O)(=O)C1=CSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173366	1	35	-1.0	-44.82	331.60	0.62	-44.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)O1	REAL300020173367	0	38	-1.0	-42.51	337.33	7.50	-35.01
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)O1	REAL300020173367	1	38	-1.0	-42.50	337.38	7.50	-35.00
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NC2=CC=CC=C21	REAL300020173368	0	38	-1.0	-45.01	315.06	6.44	-38.57
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NC2=CC=CC=C21	REAL300020173368	1	38	-1.0	-45.02	315.11	6.44	-38.58
CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)O1	REAL300020173369	0	38	-1.0	-44.66	342.19	0.47	-44.19
CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)O1	REAL300020173369	1	38	-1.0	-44.66	342.23	0.47	-44.19
CC1=C(Br)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173370	0	30	-1.0	-38.77	294.74	5.82	-32.95
CC1=C(Br)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173370	1	30	-1.0	-38.75	294.79	5.82	-32.93
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(F)C=C1F	REAL300020173371	0	33	-1.0	-37.94	291.72	6.24	-31.70
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(F)C=C1F	REAL300020173371	1	33	-1.0	-37.85	292.77	6.27	-31.58
COC1=CC=C(OC)C(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173372	0	41	-1.0	-47.72	352.21	4.93	-42.79
COC1=CC=C(OC)C(C(F)(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173372	1	41	-1.0	-47.60	352.26	4.93	-42.67
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL300020173373	0	42	-1.0	-40.61	365.27	6.36	-34.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL300020173373	1	42	-1.0	-40.63	365.22	6.36	-34.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1F	REAL300020173374	0	30	-1.0	-36.85	278.61	5.69	-31.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1F	REAL300020173374	1	30	-1.0	-36.83	278.66	5.69	-31.14
NC(=O)C1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173375	0	41	-1.0	-43.42	350.44	2.59	-40.83
NC(=O)C1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173375	1	41	-1.0	-43.40	350.49	2.60	-40.80
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=CC(F)=C1	REAL300020173376	0	41	-1.0	-43.68	349.78	7.36	-36.32
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=CC(F)=C1	REAL300020173376	1	41	-1.0	-43.65	349.82	7.37	-36.28
CC1=CC=C2NC=C(CCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020173377	0	43	-1.0	-41.71	360.81	7.69	-34.02
CC1=CC=C2NC=C(CCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020173377	1	43	-1.0	-41.68	360.85	7.70	-33.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300020173378	0	40	-1.0	-43.96	351.26	7.68	-36.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300020173378	1	40	-1.0	-43.97	351.30	7.68	-36.29
COC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NN2)C=C1OC	REAL300020173379	0	45	-1.0	-47.37	380.30	4.63	-42.74
COC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NN2)C=C1OC	REAL300020173379	1	45	-1.0	-47.44	380.34	4.63	-42.81
O=C(CCC1=CC=C(Br)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173380	0	36	-1.0	-38.04	328.82	7.58	-30.46
O=C(CCC1=CC=C(Br)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173380	1	36	-1.0	-38.06	328.86	7.60	-30.46
COC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173381	0	37	-1.0	-44.97	329.14	5.70	-39.27
COC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173381	1	37	-1.0	-44.94	329.19	5.70	-39.24
CCC(OC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173382	0	40	-1.0	-40.42	342.36	7.67	-32.75
CCC(OC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173382	1	40	-1.0	-41.05	341.29	7.65	-33.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL300020173383	0	40	-1.0	-46.31	344.00	6.69	-39.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL300020173383	1	40	-1.0	-46.29	344.05	6.69	-39.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)C=CO1	REAL300020173384	0	27	-1.0	-41.69	264.36	4.10	-37.59
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C=CO1	REAL300020173384	1	27	-1.0	-41.66	264.41	4.10	-37.56
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL300020173385	0	39	-1.0	-43.62	331.82	7.67	-35.95
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL300020173385	1	39	-1.0	-43.66	331.86	7.68	-35.98
NC(=O)C1=CC=CC(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173386	0	41	-1.0	-46.99	350.52	2.56	-44.43
NC(=O)C1=CC=CC(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173386	1	41	-1.0	-46.97	350.56	2.58	-44.39
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CS(=O)(=O)C(F)F)C=C1	REAL300020173387	0	39	-1.0	-47.37	359.57	4.10	-43.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CS(=O)(=O)C(F)F)C=C1	REAL300020173387	1	39	-1.0	-47.36	359.61	4.10	-43.26
CN1C(=O)NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020173388	0	33	-1.0	-52.89	287.11	2.15	-50.74
CN1C(=O)NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020173388	1	33	-1.0	-52.53	286.29	2.29	-50.24
CC1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020173389	0	46	-1.0	-41.02	375.91	7.77	-33.25
CC1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020173389	1	46	-1.0	-41.01	375.96	7.77	-33.24
CC(C)C1=NN(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173390	0	39	-1.0	-38.18	318.51	5.31	-32.87
CC(C)C1=NN(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173390	1	39	-1.0	-38.21	318.57	5.32	-32.89
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C2=CN(C)N=C2)O1	REAL300020173391	0	39	-1.0	-45.83	344.01	2.47	-43.36
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2=CN(C)N=C2)O1	REAL300020173391	1	39	-1.0	-45.86	343.96	2.47	-43.39
CC(C)C1=NN=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020173392	0	40	-1.0	-41.30	341.94	1.24	-40.06
CC(C)C1=NN=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020173392	1	40	-1.0	-41.24	341.98	1.25	-39.99
CC(C)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C	REAL300020173393	0	39	-1.0	-47.44	325.55	4.96	-42.48
CC(C)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C	REAL300020173393	1	39	-1.0	-47.41	325.60	4.96	-42.45
COCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173394	0	44	-1.0	-40.82	367.93	5.59	-35.23
COCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173394	1	44	-1.0	-40.83	367.97	5.59	-35.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=NC=C1Cl	REAL300020173395	0	28	-1.0	-40.91	266.52	4.09	-36.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=NC=C1Cl	REAL300020173395	1	28	-1.0	-41.00	266.48	4.08	-36.92
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1	REAL300020173396	0	43	-1.0	-42.32	375.90	7.47	-34.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1	REAL300020173396	1	43	-1.0	-42.29	375.95	7.48	-34.81
CC(CS(C)(=O)=O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173397	0	35	-1.0	-46.60	302.39	1.47	-45.13
CC(CS(C)(=O)=O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173397	1	35	-1.0	-46.59	302.43	1.48	-45.11
COC1=CSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173398	0	31	-1.0	-39.80	284.13	3.82	-35.98
COC1=CSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173398	1	31	-1.0	-39.83	284.17	3.82	-36.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300020173399	0	41	-1.0	-42.59	366.72	8.87	-33.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300020173399	1	41	-1.0	-42.62	366.76	8.87	-33.75
N#CC1=CC=CC=C1SC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173400	0	42	-1.0	-42.70	381.41	9.84	-32.86
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CSCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020173401	0	37	-1.0	-39.46	332.90	7.39	-32.07
CSCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020173401	1	37	-1.0	-39.44	332.94	7.40	-32.04
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COC1=CC=C(C(C)CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173403	0	43	-1.0	-39.18	350.45	6.69	-32.49
COC1=CC=C(C(C)CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173403	1	43	-1.0	-39.21	350.49	6.70	-32.51
N#CCSC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173404	0	35	-1.0	-45.50	322.49	7.09	-38.41
N#CCSC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173404	1	35	-1.0	-45.45	322.53	7.09	-38.36
CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020173405	0	38	-1.0	-38.72	323.78	7.32	-31.40
CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020173405	1	38	-1.0	-38.69	323.82	7.32	-31.37
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CC(C)(C)OC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173407	0	43	-1.0	-39.95	342.32	6.65	-33.30
CC(C)(C)OC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173407	1	43	-1.0	-39.99	342.36	6.66	-33.33
CC(C)CCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173408	0	44	-1.0	-38.01	351.19	7.58	-30.43
CC(C)CCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173408	1	44	-1.0	-38.00	351.24	7.58	-30.42
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CC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020173410	0	39	-1.0	-39.44	341.13	7.63	-31.81
CC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020173410	1	39	-1.0	-39.41	341.18	7.64	-31.77
CC1(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)NC(=O)NC1=O	REAL300020173411	0	42	-1.0	-44.78	356.49	2.51	-42.27
CC1(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)NC(=O)NC1=O	REAL300020173411	1	42	-1.0	-44.76	356.54	2.51	-42.25
CC1=NC2=CC=CC=C2N1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173412	0	39	-1.0	-42.39	334.07	7.01	-35.38
CC1=NC2=CC=CC=C2N1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173412	1	39	-1.0	-42.34	334.11	7.01	-35.33
COC1=C2OC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C(C=O)C=C1	REAL300020173413	0	39	-1.0	-47.22	344.39	4.89	-42.33
COC1=C2OC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C(C=O)C=C1	REAL300020173413	1	39	-1.0	-47.18	344.44	4.89	-42.29
CC(=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020173414	0	37	-1.0	-38.85	331.68	7.96	-30.89
CC(=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020173414	1	37	-1.0	-39.59	332.69	7.98	-31.61
COC(=O)COC1=C(C)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020173415	0	46	-1.0	-44.48	391.39	7.96	-36.52
COC(=O)COC1=C(C)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020173415	1	46	-1.0	-44.50	391.43	7.96	-36.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(OC2=CC=CC=C2)=CC=N1	REAL300020173416	0	40	-1.0	-45.08	347.64	6.61	-38.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(OC2=CC=CC=C2)=CC=N1	REAL300020173416	1	40	-1.0	-45.07	347.59	6.61	-38.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21	REAL300020173417	0	42	-1.0	-38.51	362.73	8.40	-30.11
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1F	REAL300020173418	0	33	-1.0	-42.19	304.76	6.56	-35.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1F	REAL300020173418	1	33	-1.0	-42.17	304.80	6.56	-35.61
CC(SC1=CC=CC=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173419	0	36	-1.0	-42.51	319.71	6.00	-36.51
CC(SC1=CC=CC=N1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173419	1	36	-1.0	-42.57	319.67	5.99	-36.58
O=C(C=CSCC1=CC=CO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173420	0	35	-1.0	-42.59	323.86	6.13	-36.46
O=C(C=CSCC1=CC=CO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173420	1	35	-1.0	-42.62	323.90	6.13	-36.49
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020173421	0	37	-1.0	-41.20	328.46	5.83	-35.37
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020173421	1	37	-1.0	-41.24	328.50	5.84	-35.40
COC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020173422	0	42	-1.0	-43.20	363.34	6.18	-37.02
COC1=CC=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020173422	1	42	-1.0	-43.15	363.38	6.19	-36.96
CC1=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Br	REAL300020173423	0	39	-1.0	-38.24	347.02	8.15	-30.09
CC1=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Br	REAL300020173423	1	39	-1.0	-38.21	347.07	8.16	-30.05
CS(=O)(=O)NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020173424	0	38	-1.0	-56.70	345.17	0.47	-56.23
CS(=O)(=O)NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020173424	1	38	-1.0	-56.67	345.21	0.47	-56.20
CN(C)C1=CC=C(C2=CN=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)C=C1	REAL300020173425	0	47	-1.0	-43.17	381.33	7.51	-35.66
CN(C)C1=CC=C(C2=CN=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)C=C1	REAL300020173425	1	47	-1.0	-43.19	381.29	7.51	-35.68
O=C(CCCCNC(=O)OCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173426	0	50	-1.0	-43.74	422.53	6.45	-37.29
O=C(CCCCNC(=O)OCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173426	1	50	-1.0	-43.74	422.58	6.46	-37.28
CCC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173427	0	38	-1.0	-40.07	324.53	6.76	-33.31
CCC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173427	1	38	-1.0	-40.03	324.57	6.76	-33.27
CC(C)CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020173428	0	52	-1.0	-41.10	408.88	7.58	-33.52
CC(C)CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020173428	1	52	-1.0	-41.06	408.93	7.58	-33.48
O=C(COCC=CC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173429	0	41	-1.0	-41.57	351.76	7.73	-33.84
O=C(COCC=CC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173429	1	41	-1.0	-41.55	351.81	7.73	-33.82
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173430	0	42	-1.0	-41.91	379.55	2.92	-38.99
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173430	1	42	-1.0	-41.88	379.60	2.92	-38.96
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020173431	0	34	-1.0	-38.35	297.18	4.85	-33.50
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020173431	1	34	-1.0	-38.30	297.23	4.85	-33.45
CC1=NN(CC(F)(F)F)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173432	0	36	-1.0	-41.10	324.03	5.18	-35.92
CC1=NN(CC(F)(F)F)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173432	1	36	-1.0	-41.09	324.07	5.19	-35.90
CC1=C(S(N)(=O)=O)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020173433	0	35	-1.0	-48.13	320.70	-0.75	-48.88
CC1=C(S(N)(=O)=O)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020173433	1	35	-1.0	-46.66	319.73	-0.78	-47.44
CN1C=NC(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173434	0	38	-1.0	-49.50	342.28	1.14	-48.36
CN1C=NC(S(=O)(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173434	1	38	-1.0	-49.55	342.23	1.12	-48.43
CCC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173435	0	42	-1.0	-40.68	339.11	8.03	-32.65
CCC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173435	1	42	-1.0	-40.66	339.16	8.03	-32.63
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173436	0	38	-1.0	-44.02	334.74	7.61	-36.41
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173436	1	38	-1.0	-44.03	334.78	7.61	-36.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(CC2=CC=CC=C2)S1	REAL300020173437	0	39	-1.0	-40.03	351.99	7.12	-32.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(CC2=CC=CC=C2)S1	REAL300020173437	1	39	-1.0	-40.01	352.03	7.12	-32.89
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020173438	0	40	-1.0	-40.58	358.31	8.83	-31.75
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020173438	1	40	-1.0	-40.55	358.35	8.83	-31.72
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1F	REAL300020173439	0	30	-1.0	-40.32	282.23	6.05	-34.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1F	REAL300020173439	1	30	-1.0	-40.30	282.28	6.05	-34.25
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020173440	0	39	-1.0	-40.64	333.35	7.10	-33.54
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020173440	1	39	-1.0	-40.56	333.39	7.11	-33.45
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173441	0	41	-1.0	-40.82	347.22	7.44	-33.38
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173441	1	41	-1.0	-40.82	347.17	7.44	-33.38
CC1=CC=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173442	0	33	-1.0	-40.79	299.17	6.78	-34.01
CC1=CC=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173442	1	33	-1.0	-40.76	299.21	6.78	-33.98
O=C(CCC(=O)C1=C(Cl)SC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173443	0	35	-1.0	-40.86	349.92	6.99	-33.87
O=C(CCC(=O)C1=C(Cl)SC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173443	1	35	-1.0	-40.84	349.97	7.01	-33.83
O=C(CCC(=O)C1=CSC2=CC=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173444	0	41	-1.0	-45.04	361.46	8.13	-36.91
O=C(CCC(=O)C1=CSC2=CC=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173444	1	41	-1.0	-44.98	361.51	8.14	-36.84
O=C(CC1=CC=C(F)C=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173445	0	33	-1.0	-40.70	296.97	6.23	-34.47
O=C(CC1=CC=C(F)C=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173445	1	33	-1.0	-40.70	297.02	6.23	-34.47
O=C(CC1=CC=C(F)C(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173446	0	33	-1.0	-39.64	297.82	6.26	-33.38
O=C(CC1=CC=C(F)C(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173446	1	33	-1.0	-39.69	297.86	6.26	-33.43
O=C(CC1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173447	0	33	-1.0	-43.09	296.75	6.21	-36.88
O=C(CC1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173447	1	33	-1.0	-43.06	296.79	6.22	-36.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300020173448	0	33	-1.0	-36.93	305.60	6.51	-30.42
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300020173448	1	33	-1.0	-36.92	306.66	6.54	-30.38
O=C(CCCC1=CSC2=CC=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173449	0	42	-1.0	-40.85	365.37	9.09	-31.76
O=C(CCCC1=CSC2=CC=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173449	1	42	-1.0	-40.90	365.42	9.10	-31.80
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173450	0	40	-1.0	-37.52	352.75	7.56	-29.96
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173450	1	40	-1.0	-37.52	352.68	7.55	-29.97
CC1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020173451	0	46	-1.0	-40.62	378.97	7.97	-32.65
CC1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020173451	1	46	-1.0	-40.62	379.02	7.98	-32.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC1CC1=CC=CC=C1	REAL300020173452	0	40	-1.0	-39.14	332.84	8.39	-30.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC1CC1=CC=CC=C1	REAL300020173452	1	40	-1.0	-39.13	332.90	8.39	-30.74
O=C(CC1=CC=CC(F)=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173453	0	33	-1.0	-41.23	296.83	6.23	-35.00
O=C(CC1=CC=CC(F)=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173453	1	33	-1.0	-41.20	296.87	6.24	-34.96
CC(C)CC(C)OCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173454	0	45	-1.0	-38.43	361.35	6.10	-32.33
CC(C)CC(C)OCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173454	1	45	-1.0	-38.46	361.40	6.11	-32.35
O=C(CCCC1=C(Cl)SC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173455	0	36	-1.0	-38.02	351.42	7.84	-30.18
O=C(CCCC1=C(Cl)SC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173455	1	36	-1.0	-38.03	351.46	7.85	-30.18
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)C=C1	REAL300020173456	0	46	-2.0	-114.86	389.88	6.60	-108.26
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)C=C1	REAL300020173456	1	46	-2.0	-114.87	389.92	6.60	-108.27
CCN(CC)C(=O)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173457	0	42	-1.0	-43.73	345.29	5.37	-38.36
CCN(CC)C(=O)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173457	1	42	-1.0	-43.72	345.34	5.38	-38.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020173458	0	34	-1.0	-37.32	307.48	5.28	-32.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020173458	1	34	-1.0	-37.27	307.52	5.29	-31.98
CC1=CC(Cl)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173459	0	33	-1.0	-40.83	299.64	6.66	-34.17
CC1=CC(Cl)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173459	1	33	-1.0	-40.80	299.68	6.66	-34.14
O=C(CCSC1=CC=CC=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173460	0	36	-1.0	-42.24	324.45	5.84	-36.40
O=C(CCSC1=CC=CC=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173460	1	36	-1.0	-42.25	324.40	5.83	-36.42
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173461	0	41	-1.0	-44.99	360.97	0.11	-44.88
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173461	1	41	-1.0	-44.98	360.92	0.11	-44.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C(Cl)=C1	REAL300020173462	0	30	-1.0	-35.75	297.58	6.55	-29.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C(Cl)=C1	REAL300020173462	1	30	-1.0	-35.77	297.63	6.55	-29.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC=C1Br	REAL300020173463	0	29	-1.0	-37.22	273.20	4.35	-32.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC=C1Br	REAL300020173463	1	29	-1.0	-37.20	273.16	4.34	-32.86
COC1=C(S(N)(=O)=O)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173464	0	36	-1.0	-44.32	337.97	-0.68	-45.00
COC1=C(S(N)(=O)=O)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173464	1	36	-1.0	-44.33	338.02	-0.68	-45.01
COC1=CC=C2OCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C1	REAL300020173465	0	40	-1.0	-42.28	335.76	5.25	-37.03
COC1=CC=C2OCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C1	REAL300020173465	1	40	-1.0	-42.28	335.81	5.25	-37.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC=CC=C2F)=C1	REAL300020173466	0	37	-1.0	-47.66	329.68	5.43	-42.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2=CC=CC=C2F)=C1	REAL300020173466	1	37	-1.0	-47.60	329.73	5.45	-42.15
CC1=CC=CC(C)=C1NC(=O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173467	0	40	-1.0	-43.90	334.29	5.31	-38.59
CC1=CC=CC(C)=C1NC(=O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173467	1	40	-1.0	-44.51	335.70	5.33	-39.18
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2CCCC2)C=C1	REAL300020173468	0	40	-1.0	-47.43	328.91	5.88	-41.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2CCCC2)C=C1	REAL300020173468	1	40	-1.0	-47.48	328.86	5.88	-41.60
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173469	0	42	-1.0	-42.80	367.77	4.79	-38.01
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173469	1	42	-1.0	-42.85	367.82	4.80	-38.05
CC(CSC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173470	0	40	-1.0	-37.38	350.37	8.07	-29.31
CC(CSC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173470	1	40	-1.0	-37.34	350.42	8.07	-29.27
CCC1=NOC(CC)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173471	0	41	-1.0	-39.65	345.71	6.44	-33.21
CCC1=NOC(CC)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173471	1	41	-1.0	-39.63	345.75	6.44	-33.19
CC1=NC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)S1	REAL300020173472	0	35	-1.0	-40.80	311.59	4.52	-36.28
CC1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)S1	REAL300020173472	1	35	-1.0	-40.76	311.64	4.52	-36.24
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173473	0	40	-1.0	-46.00	350.63	5.02	-40.98
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173473	1	40	-1.0	-46.03	350.68	5.03	-41.00
CN1C=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020173474	0	43	-1.0	-42.11	361.88	8.74	-33.37
CN1C=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020173474	1	43	-1.0	-42.04	361.92	8.75	-33.29
O=C(CCC1=CC=C2OCCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173475	0	41	-1.0	-40.25	342.40	6.79	-33.46
O=C(CCC1=CC=C2OCCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173475	1	41	-1.0	-40.24	342.45	6.79	-33.45
CC(O)C1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020173476	0	36	-1.0	-45.55	312.53	0.29	-45.26
CC(O)C1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020173476	1	36	-1.0	-45.54	312.57	0.29	-45.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1C1CCCC1	REAL300020173477	0	40	-1.0	-40.06	322.85	6.46	-33.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1C1CCCC1	REAL300020173477	1	40	-1.0	-40.08	322.96	6.44	-33.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(OCC(F)F)=C1	REAL300020173478	0	36	-1.0	-45.35	320.96	4.22	-41.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(OCC(F)F)=C1	REAL300020173478	1	36	-1.0	-45.38	320.92	4.21	-41.17
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020173479	0	41	-1.0	-47.22	355.75	2.09	-45.13
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020173479	1	41	-1.0	-47.20	355.79	2.09	-45.11
CCC1=NC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=NN1	REAL300020173480	0	42	-1.0	-44.62	358.99	6.82	-37.80
CCC1=NC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=NN1	REAL300020173480	1	42	-1.0	-44.57	359.03	6.83	-37.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300020173481	0	32	-1.0	-35.46	309.97	6.74	-28.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300020173481	1	32	-1.0	-35.41	311.03	6.78	-28.63
CC1CC[NH+](CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020173482	0	42	0.0	-47.41	323.30	6.36	-41.05
CC1CCN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020173482	1	41	-1.0	-38.51	322.44	4.20	-34.31
CC1CCN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020173482	1	41	-1.0	-38.49	322.49	4.20	-34.29
O=C(C#CC1=CC=C2OCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173483	0	35	-1.0	-43.43	319.35	5.52	-37.91
O=C(C#CC1=CC=C2OCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173483	1	35	-1.0	-42.07	319.40	5.52	-36.55
O=C(C=CC1=CC=CC(CO)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173484	0	38	-1.0	-42.96	328.82	3.99	-38.97
O=C(C=CC1=CC=CC(CO)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173484	1	38	-1.0	-43.02	328.87	3.99	-39.03
CC1=CC=C(C2=CN=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)C=C1	REAL300020173485	0	42	-1.0	-41.73	351.32	7.77	-33.96
CC1=CC=C(C2=CN=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)C=C1	REAL300020173485	1	42	-1.0	-41.76	351.28	7.77	-33.99
COC1=CC=C(C2=CN=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)C=C1	REAL300020173486	0	43	-1.0	-42.54	359.37	6.39	-36.15
COC1=CC=C(C2=CN=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)C=C1	REAL300020173486	1	43	-1.0	-42.52	359.33	6.39	-36.13
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173487	0	40	-1.0	-41.55	356.06	6.82	-34.73
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173487	1	40	-1.0	-41.52	356.10	6.83	-34.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL300020173488	0	39	-1.0	-41.88	330.92	7.11	-34.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL300020173488	1	39	-1.0	-41.91	330.88	7.11	-34.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300020173489	0	39	-1.0	-40.77	346.65	7.62	-33.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300020173489	1	39	-1.0	-40.73	346.61	7.61	-33.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1	REAL300020173490	0	44	-1.0	-42.94	365.85	6.95	-35.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1	REAL300020173490	1	44	-1.0	-42.99	365.81	6.94	-36.05
CCC(CC)N1N=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173491	0	42	-1.0	-39.20	340.66	6.26	-32.94
CCC(CC)N1N=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173491	1	42	-1.0	-39.19	340.61	6.26	-32.93
COC1=CC=C(Br)C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173492	0	37	-1.0	-40.67	332.28	5.89	-34.78
COC1=CC=C(Br)C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173492	1	37	-1.0	-40.64	332.32	5.90	-34.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC2=NNC=C21	REAL300020173493	0	37	-1.0	-39.31	300.08	4.36	-34.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC2=NNC=C21	REAL300020173493	1	37	-1.0	-39.27	300.12	4.37	-34.90
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020173494	0	33	-1.0	-42.23	302.67	4.31	-37.92
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020173494	1	33	-1.0	-42.09	301.70	4.29	-37.80
CC1=CC(F)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020173495	0	33	-1.0	-41.82	292.73	6.27	-35.55
CC1=CC(F)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020173495	1	33	-1.0	-41.87	292.77	6.27	-35.60
CCCOC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173496	0	43	-1.0	-40.38	357.99	7.16	-33.22
CCCOC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173496	1	43	-1.0	-40.35	358.03	7.16	-33.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL300020173497	0	40	-1.0	-46.33	361.22	6.72	-39.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL300020173497	1	40	-1.0	-46.30	361.17	6.73	-39.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1	REAL300020173498	0	49	-1.0	-41.06	396.34	10.53	-30.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1	REAL300020173498	1	49	-1.0	-41.06	396.39	10.54	-30.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OCC(F)(F)F)=C1	REAL300020173499	0	37	-1.0	-42.68	332.40	6.17	-36.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OCC(F)(F)F)=C1	REAL300020173499	1	37	-1.0	-42.68	332.45	6.17	-36.51
COCCCS(=O)(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173500	0	41	-1.0	-47.89	359.27	-0.56	-48.45
COCCCS(=O)(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173500	1	41	-1.0	-47.90	359.31	-0.56	-48.46
CCC(CC)N1C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020173501	0	42	-1.0	-48.15	343.29	5.95	-42.20
CCC(CC)N1C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020173501	1	42	-1.0	-48.18	343.24	5.95	-42.23
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NC=CN21	REAL300020173502	1	33	-1.0	-44.78	284.00	5.96	-38.82
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173503	0	44	-1.0	-46.03	380.02	6.43	-39.60
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173503	1	44	-1.0	-45.98	380.06	6.43	-39.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(SC2CCOC2=O)C=C1	REAL300020173504	0	41	-1.0	-48.54	353.93	7.63	-40.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(SC2CCOC2=O)C=C1	REAL300020173504	1	41	-1.0	-48.46	353.98	7.62	-40.84
CC1=CC=CC(C2=CN=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=C1	REAL300020173505	0	42	-1.0	-41.67	352.33	7.78	-33.89
CC1=CC=CC(C2=CN=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=C1	REAL300020173505	1	42	-1.0	-41.69	352.28	7.78	-33.91
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020173506	0	36	-1.0	-38.67	320.78	6.17	-32.50
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020173506	1	36	-1.0	-38.66	320.82	6.17	-32.49
CC1(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)NC(=O)NC1=O	REAL300020173507	0	42	-1.0	-45.63	357.58	2.52	-43.11
CC1(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)NC(=O)NC1=O	REAL300020173507	1	42	-1.0	-45.56	357.63	2.53	-43.03
CC1(C)C(=O)NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020173508	0	41	-1.0	-39.84	343.76	4.97	-34.87
CC1(C)C(=O)NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020173508	1	41	-1.0	-39.78	343.81	4.97	-34.81
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2=O	REAL300020173509	0	51	-1.0	-45.93	395.58	5.67	-40.26
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2=O	REAL300020173509	1	51	-1.0	-45.93	395.66	5.67	-40.26
CC(C)OC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020173510	0	39	-1.0	-38.60	330.92	4.07	-34.53
CC(C)OC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020173510	1	39	-1.0	-38.61	329.86	4.04	-34.57
O=C(CSC1=NC2=CC=CC=C2N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173511	0	37	-1.0	-43.59	334.09	5.56	-38.03
O=C(CSC1=NC2=CC=CC=C2N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173511	1	37	-1.0	-43.58	334.14	5.57	-38.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020173512	0	32	-2.0	-90.74	296.13	4.02	-86.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020173512	1	32	-2.0	-91.61	297.18	4.06	-87.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(O)=CC([N+](=O)[O-])=C1	REAL300020173512	1	33	-1.0	-39.00	299.69	3.26	-35.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(O)=CC([N+](=O)[O-])=C1	REAL300020173512	1	33	-1.0	-37.65	300.75	3.30	-34.35
N#CC1=CN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020173513	0	30	-1.0	-41.09	291.11	4.64	-36.45
N#CC1=CN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020173513	1	30	-1.0	-40.88	292.07	4.67	-36.21
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173514	0	41	-1.0	-44.65	359.93	6.93	-37.72
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173514	1	41	-1.0	-44.62	359.86	6.91	-37.71
CNC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020173515	0	36	-1.0	-42.11	317.63	2.08	-40.03
CNC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020173515	1	36	-1.0	-42.12	317.59	2.08	-40.04
CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020173516	0	36	-1.0	-39.51	320.77	7.23	-32.28
CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020173516	1	36	-1.0	-39.46	320.82	7.24	-32.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(Br)=C1	REAL300020173517	0	29	-1.0	-39.18	278.19	4.22	-34.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(Br)=C1	REAL300020173517	1	29	-1.0	-39.24	278.15	4.21	-35.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL300020173518	0	30	-1.0	-35.78	284.06	6.04	-29.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL300020173518	1	30	-1.0	-35.72	284.10	6.04	-29.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL300020173519	0	39	-1.0	-49.70	350.49	5.72	-43.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL300020173519	1	39	-1.0	-49.79	350.45	5.72	-44.07
CC(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173520	0	37	-1.0	-41.53	329.59	4.90	-36.63
CC(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173520	1	37	-1.0	-53.98	330.17	4.92	-49.06
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020173521	0	37	-1.0	-47.31	329.23	4.87	-42.44
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020173521	1	37	-1.0	-47.29	329.28	4.88	-42.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300020173522	0	38	-1.0	-41.00	325.78	4.76	-36.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300020173522	1	38	-1.0	-41.03	325.83	4.76	-36.27
O=C(CCC1=NC(C2CCCC2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173523	0	44	-1.0	-39.84	364.67	4.92	-34.92
O=C(CCC1=NC(C2CCCC2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173523	1	44	-1.0	-39.77	364.71	4.94	-34.83
CCCC(O)(CCC)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173524	0	45	-1.0	-39.36	346.99	4.99	-34.37
CCCC(O)(CCC)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173524	1	45	-1.0	-39.36	347.04	5.02	-34.34
O=C(CSC1=CC=C(O)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173525	0	35	-1.0	-39.82	315.66	3.75	-36.07
O=C(CSC1=CC=C(O)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173525	1	35	-1.0	-39.77	315.70	3.77	-36.00
CC(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020173526	0	38	-1.0	-47.39	318.86	5.59	-41.80
CC(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020173526	1	38	-1.0	-47.37	318.90	5.59	-41.78
O=C(CC1=CC=C(F)C=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173527	0	33	-1.0	-37.52	305.77	6.64	-30.88
O=C(CC1=CC=C(F)C=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173527	1	33	-1.0	-37.45	305.82	6.64	-30.81
CCOCCS(=O)(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173528	0	41	-1.0	-45.47	359.62	-0.39	-45.86
CCOCCS(=O)(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173528	1	41	-1.0	-45.47	359.67	-0.39	-45.86
O=C(CC1=CC(F)=C(F)C=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173529	0	33	-1.0	-37.69	303.23	6.29	-31.40
O=C(CC1=CC(F)=C(F)C=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173529	1	33	-1.0	-37.72	303.27	6.29	-31.43
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020173530	0	33	-1.0	-38.19	296.92	6.58	-31.61
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020173530	1	33	-1.0	-38.20	296.96	6.58	-31.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL300020173531	0	36	-1.0	-43.76	325.58	6.54	-37.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL300020173531	1	36	-1.0	-43.77	325.54	6.54	-37.23
COC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020173532	0	41	-1.0	-40.85	344.60	5.99	-34.86
COC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020173532	1	41	-1.0	-40.85	344.65	6.00	-34.85
O=C(CC1CCSCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173533	0	37	-1.0	-37.88	304.81	6.08	-31.80
O=C(CC1CCSCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173533	1	37	-1.0	-37.41	305.87	6.12	-31.29
CCC(OC1CCCCC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173534	0	46	-1.0	-38.54	362.25	7.61	-30.93
CCC(OC1CCCCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173534	1	46	-1.0	-38.71	361.30	7.58	-31.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1	REAL300020173535	0	40	-1.0	-46.81	361.23	7.67	-39.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1	REAL300020173535	1	40	-1.0	-46.78	361.19	7.67	-39.11
CCOC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)C	REAL300020173536	0	42	-1.0	-38.35	335.23	5.88	-32.47
CCOC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)C	REAL300020173536	1	42	-1.0	-38.36	335.28	5.88	-32.48
O=C(CN1C=C(C2CC2)N=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173537	0	36	-1.0	-46.20	311.06	4.34	-41.86
O=C(CN1C=C(C2CC2)N=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173537	1	36	-1.0	-46.18	311.11	4.34	-41.84
O=C(CCCC1=CC=CC(Br)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173538	0	39	-1.0	-39.92	350.32	8.36	-31.56
O=C(CCCC1=CC=CC(Br)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173538	1	39	-1.0	-39.85	350.36	8.37	-31.48
CCS(=O)(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173539	0	34	-1.0	-46.38	304.10	-0.43	-46.81
CCS(=O)(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173539	1	34	-1.0	-46.37	304.14	-0.43	-46.80
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173540	0	39	-1.0	-49.78	352.37	-1.33	-51.11
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173540	1	39	-1.0	-49.50	351.38	-1.35	-50.85
CC(C)(C)OC(=O)N(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020173541	0	50	-1.0	-46.80	410.58	8.57	-38.23
CC(C)(C)OC(=O)N(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020173541	1	50	-1.0	-46.80	410.62	8.57	-38.23
O=C(CSC1=NC=CC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173542	0	39	-1.0	-43.52	346.09	7.26	-36.26
O=C(CSC1=NC=CC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173542	1	39	-1.0	-43.57	346.04	7.25	-36.32
CC1=CC=C(C2=NC(SCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NN2)C=C1	REAL300020173543	0	43	-1.0	-43.66	383.09	7.31	-36.35
CC1=CC=C(C2=NC(SCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NN2)C=C1	REAL300020173543	1	43	-1.0	-43.59	383.13	7.32	-36.27
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020173544	0	43	-2.0	-96.58	383.51	3.57	-93.01
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020173544	1	43	-2.0	-96.59	383.56	3.59	-93.00
CC(C)C1=NN=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020173545	0	38	-1.0	-42.89	333.45	1.15	-41.74
CC(C)C1=NN=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020173545	1	38	-1.0	-42.91	333.49	1.15	-41.76
CC(C)(C)OC1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020173546	0	48	-1.0	-41.10	385.59	7.14	-33.96
CC(C)(C)OC1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020173546	1	48	-1.0	-41.05	385.62	7.15	-33.90
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(Br)S1	REAL300020173547	0	30	-1.0	-39.37	292.32	5.92	-33.45
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(Br)S1	REAL300020173547	1	30	-1.0	-39.38	292.37	5.93	-33.45
CSC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(Cl)C=C1Cl	REAL300020173548	0	34	-1.0	-35.52	329.16	7.46	-28.06
CSC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(Cl)C=C1Cl	REAL300020173548	1	34	-1.0	-35.49	329.20	7.46	-28.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SC=CC2=C1	REAL300020173549	0	33	-1.0	-40.42	298.38	6.84	-33.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2SC=CC2=C1	REAL300020173549	1	33	-1.0	-40.39	298.42	6.85	-33.54
CC(OC1CCCCCC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173550	0	46	-1.0	-39.37	349.37	7.05	-32.32
CC(OC1CCCCCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173550	1	46	-1.0	-39.31	349.42	7.06	-32.25
CC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020173551	0	40	-1.0	-38.96	355.11	5.36	-33.60
CC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020173551	1	40	-1.0	-38.97	355.17	5.38	-33.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)S1	REAL300020173552	0	34	-1.0	-41.49	305.30	6.80	-34.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)S1	REAL300020173552	1	34	-1.0	-41.47	305.35	6.80	-34.67
O=C(CCC1=NN=C(C2CCCC2)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173553	0	44	-1.0	-41.24	365.00	2.52	-38.72
O=C(CCC1=NN=C(C2CCCC2)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173553	1	44	-1.0	-41.16	365.04	2.53	-38.63
CC1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020173554	0	43	-1.0	-41.44	374.93	7.77	-33.67
CC1=CC=C(OCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020173554	1	43	-1.0	-41.45	374.97	7.78	-33.67
O=C(CCCC1=CC=CC=C1Br)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173555	0	39	-1.0	-39.76	345.21	8.17	-31.59
O=C(CCCC1=CC=CC=C1Br)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173555	1	39	-1.0	-39.77	345.26	8.19	-31.58
CC(CNC(=O)OC(C)(C)C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173556	0	49	-1.0	-41.27	388.92	4.46	-36.81
CC(CNC(=O)OC(C)(C)C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173556	1	49	-1.0	-41.26	388.96	4.46	-36.80
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173557	0	42	-1.0	-45.16	377.08	2.82	-42.34
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173557	1	42	-1.0	-45.14	377.13	2.82	-42.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(Cl)=C1	REAL300020173558	0	30	-1.0	-36.84	284.65	6.07	-30.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(Cl)=C1	REAL300020173558	1	30	-1.0	-36.82	284.69	6.07	-30.75
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173559	0	45	-1.0	-41.04	391.10	9.44	-31.60
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173559	1	45	-1.0	-40.98	391.14	9.44	-31.54
O=C(CC1=CN=C2NC=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173560	0	36	-1.0	-54.65	311.43	5.44	-49.21
O=C(CC1=CN=C2NC=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173560	1	36	-1.0	-54.55	311.47	5.44	-49.11
COC1=CC=CC(OC)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173561	0	41	-1.0	-45.62	342.45	4.89	-40.73
COC1=CC=CC(OC)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173561	1	41	-1.0	-45.55	342.49	4.90	-40.65
O=C(CC1=NN(C2=CC=CC=C2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173562	0	40	-1.0	-46.26	343.15	7.30	-38.96
O=C(CC1=NN(C2=CC=CC=C2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173562	1	40	-1.0	-46.25	343.19	7.30	-38.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1Br	REAL300020173563	0	30	-1.0	-36.64	294.48	6.62	-30.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1Br	REAL300020173563	1	30	-1.0	-36.65	294.53	6.62	-30.03
CC(C)(C)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173564	0	45	-1.0	-39.51	362.33	8.48	-31.03
CC(C)(C)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173564	1	45	-1.0	-39.51	362.37	8.49	-31.02
CC(C)OC1=CN=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173565	0	39	-1.0	-40.61	326.46	4.54	-36.07
CC(C)OC1=CN=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173565	1	39	-1.0	-40.59	326.41	4.53	-36.06
CC1=NN(C)C(C)=C1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173566	0	40	-1.0	-42.86	343.88	4.94	-37.92
CC1=NN(C)C(C)=C1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173566	1	40	-1.0	-42.83	343.92	4.95	-37.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C(=NN=C2C(F)F)C=C1	REAL300020173567	0	35	-1.0	-38.89	317.47	6.74	-32.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C(=NN=C2C(F)F)C=C1	REAL300020173567	1	35	-1.0	-38.88	317.52	6.74	-32.14
CS(=O)(=O)N1CCN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020173568	0	43	-1.0	-44.39	356.62	0.04	-44.35
CS(=O)(=O)N1CCN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020173568	1	43	-1.0	-44.37	356.66	0.04	-44.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CN=C2)N=C1	REAL300020173569	0	36	-1.0	-42.70	317.52	4.84	-37.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CN=C2)N=C1	REAL300020173569	1	36	-1.0	-42.71	317.47	4.84	-37.87
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173570	0	42	-1.0	-44.99	359.64	8.96	-36.03
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173570	1	42	-1.0	-45.02	359.68	8.96	-36.06
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173571	0	45	-1.0	-42.07	371.15	8.19	-33.88
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173571	1	45	-1.0	-42.03	371.20	8.20	-33.83
CC1CCCC(OCCCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020173572	0	55	-1.0	-39.26	426.82	8.97	-30.29
CC1CCCC(OCCCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020173572	1	55	-1.0	-39.22	426.87	8.97	-30.25
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173573	0	47	-1.0	-41.54	389.49	0.80	-40.74
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173573	1	47	-1.0	-41.55	389.53	0.80	-40.75
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1CCOCC1	REAL300020173574	0	44	-1.0	-45.11	357.06	4.74	-40.37
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1CCOCC1	REAL300020173574	1	44	-1.0	-45.05	357.11	4.75	-40.30
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173575	0	40	-1.0	-53.20	353.72	8.00	-45.20
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173575	1	40	-1.0	-53.19	353.67	8.00	-45.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)CCC1=CC=CC=C1	REAL300020173576	0	40	-1.0	-38.99	337.52	5.52	-33.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)CCC1=CC=CC=C1	REAL300020173576	1	40	-1.0	-39.03	337.56	5.53	-33.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@H](O)C1=CC=CC=C1Cl	REAL300020173577	0	34	-1.0	-43.23	297.44	4.76	-38.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H](O)C1=CC=CC=C1Cl	REAL300020173577	1	34	-1.0	-43.16	297.48	4.77	-38.39
COC1=CC=CC(C(O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173578	0	38	-1.0	-43.17	322.74	3.36	-39.81
COC1=CC=CC(C(O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173578	1	38	-1.0	-43.18	322.79	3.36	-39.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300020173579	0	32	-1.0	-35.28	302.10	6.52	-28.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300020173579	1	32	-1.0	-35.28	302.14	6.52	-28.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(=O)[N-]C1=O	REAL300020173580	0	28	-2.0	-89.82	262.51	-2.33	-92.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(=O)[N-]C1=O	REAL300020173580	1	28	-2.0	-89.78	262.55	-2.33	-92.11
COC(=O)CC(C)(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173581	0	41	-1.0	-40.91	325.50	5.58	-35.33
COC(=O)CC(C)(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173581	1	41	-1.0	-40.91	325.55	5.58	-35.33
CN1C=NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020173582	0	36	-1.0	-46.30	309.84	6.81	-39.49
CN1C=NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020173582	1	36	-1.0	-46.32	309.79	6.81	-39.51
CCN1N=CC=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173583	0	37	-1.0	-40.72	319.75	5.16	-35.56
CCN1N=CC=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173583	1	37	-1.0	-40.71	319.80	5.16	-35.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC(Cl)=CC=C1F	REAL300020173584	0	29	-1.0	-46.43	280.16	4.26	-42.17
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC(Cl)=CC=C1F	REAL300020173584	1	29	-1.0	-46.42	280.12	4.26	-42.16
COC(=O)C1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173585	0	39	-1.0	-42.33	339.95	6.79	-35.54
COC(=O)C1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173585	1	39	-1.0	-42.33	339.99	6.79	-35.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC=C1[N+](=O)[O-]	REAL300020173586	0	29	-1.0	-48.92	268.10	3.41	-45.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC=C1[N+](=O)[O-]	REAL300020173586	1	29	-1.0	-48.88	268.15	3.42	-45.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(OC2CCC2)=C1	REAL300020173587	0	40	-1.0	-38.57	337.03	4.71	-33.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(OC2CCC2)=C1	REAL300020173587	1	40	-1.0	-38.58	335.98	4.68	-33.90
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1CC(C)C	REAL300020173588	0	42	-1.0	-43.60	338.18	5.67	-37.93
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1CC(C)C	REAL300020173588	1	42	-1.0	-43.60	338.23	5.68	-37.92
CSC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020173589	0	34	-1.0	-37.76	307.42	6.53	-31.23
CSC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020173589	1	34	-1.0	-37.73	307.47	6.53	-31.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300020173590	0	34	-1.0	-37.29	326.72	5.09	-32.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300020173590	1	34	-1.0	-37.27	326.76	5.09	-32.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Br)=C1[O-]	REAL300020173591	0	30	-2.0	-98.24	287.19	5.55	-92.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Br)=C1[O-]	REAL300020173591	1	30	-2.0	-98.17	287.23	5.56	-92.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2N=CNC2=N1	REAL300020173592	0	32	-1.0	-46.97	284.27	4.43	-42.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2N=CNC2=N1	REAL300020173592	1	32	-1.0	-46.93	284.31	4.43	-42.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(OCC2=CC=CC=C2)=CC=C1O	REAL300020173593	0	45	-1.0	-47.93	381.55	7.18	-40.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=C1O	REAL300020173593	1	45	-1.0	-47.94	381.60	7.17	-40.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300020173594	0	42	-1.0	-45.44	359.13	6.75	-38.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300020173594	1	42	-1.0	-45.41	359.17	6.75	-38.66
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(O)=C1	REAL300020173595	0	49	-1.0	-47.26	397.33	3.49	-43.77
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(O)=C1	REAL300020173595	1	49	-1.0	-47.22	397.37	3.50	-43.72
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C([O-])=C1	REAL300020173595	1	48	-2.0	-116.71	392.19	4.46	-112.25
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C([O-])=C1	REAL300020173595	1	48	-2.0	-116.63	392.25	4.46	-112.17
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(O)=C1	REAL300020173596	0	48	-1.0	-44.33	392.88	4.16	-40.17
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(O)=C1	REAL300020173596	1	48	-1.0	-44.35	392.92	4.17	-40.18
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C([O-])=C1	REAL300020173596	1	47	-2.0	-110.63	387.74	5.13	-105.50
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C([O-])=C1	REAL300020173596	1	47	-2.0	-110.61	387.80	5.13	-105.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2N=S=NC2=C1	REAL300020173597	0	31	-1.0	-39.50	285.59	3.82	-35.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2N=S=NC2=C1	REAL300020173597	1	31	-1.0	-39.53	285.64	3.83	-35.70
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020173598	0	35	-1.0	-45.50	320.24	0.51	-44.99
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020173598	1	35	-1.0	-45.46	320.28	0.51	-44.95
CN(C)CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020173599	0	37	-1.0	-44.64	318.41	2.44	-42.20
CN(C)CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020173599	1	37	-1.0	-44.67	318.45	2.45	-42.22
O=C(CSCC(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173600	0	30	-1.0	-39.14	289.58	4.93	-34.21
O=C(CSCC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173600	1	30	-1.0	-39.08	289.62	4.94	-34.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2=CC=CN=C2)S1	REAL300020173601	0	35	-1.0	-41.70	323.32	4.60	-37.10
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2=CC=CN=C2)S1	REAL300020173601	1	35	-1.0	-41.70	323.28	4.60	-37.10
O=C(COC1=CC=CC=C1Br)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173602	0	34	-1.0	-41.18	315.46	6.60	-34.58
O=C(COC1=CC=CC=C1Br)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173602	1	34	-1.0	-41.17	315.51	6.61	-34.56
CC1=CC=C(C(C)C(O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173603	0	43	-1.0	-39.37	352.62	6.02	-33.35
CC1=CC=C(C(C)C(O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173603	1	43	-1.0	-39.30	352.81	6.02	-33.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Br)=N1	REAL300020173604	0	29	-1.0	-46.17	280.23	4.26	-41.91
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Br)=N1	REAL300020173604	1	29	-1.0	-46.22	280.18	4.26	-41.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020173605	0	32	-2.0	-98.77	291.78	6.13	-92.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020173605	1	32	-2.0	-98.74	291.82	6.14	-92.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL300020173606	0	39	-1.0	-49.76	345.72	7.89	-41.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL300020173606	1	39	-1.0	-49.82	345.67	7.89	-41.93
CCOC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1O	REAL300020173607	0	42	-1.0	-42.11	358.06	4.75	-37.36
CCOC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1O	REAL300020173607	1	42	-1.0	-42.18	358.10	4.75	-37.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=NC=CC=C2F)=N1	REAL300020173608	0	35	-1.0	-52.64	326.96	4.39	-48.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=NC=CC=C2F)=N1	REAL300020173608	1	35	-1.0	-52.65	327.00	4.39	-48.26
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)C=C1Br	REAL300020173609	0	36	-1.0	-38.05	316.03	7.32	-30.73
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)C=C1Br	REAL300020173609	1	36	-1.0	-38.15	316.26	7.33	-30.82
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020173610	0	38	-1.0	-40.81	331.70	6.05	-34.76
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020173610	1	38	-1.0	-40.78	331.75	6.05	-34.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300020173611	0	39	-1.0	-59.64	348.77	7.77	-51.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300020173611	1	39	-1.0	-59.70	348.72	7.77	-51.93
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C)=C1F	REAL300020173612	0	36	-1.0	-38.30	308.50	6.82	-31.48
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C)=C1F	REAL300020173612	1	36	-1.0	-38.24	308.55	6.82	-31.42
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020173613	0	54	-1.0	-43.51	420.43	7.64	-35.87
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020173613	1	54	-1.0	-43.48	420.47	7.64	-35.84
CC1=C(C)NC(=O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020173614	0	35	-1.0	-56.29	300.53	3.03	-53.26
CC1=C(C)NC(=O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020173614	1	35	-1.0	-56.28	300.57	3.03	-53.25
O=C(CC(O)C1=CC=CC(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173615	0	37	-1.0	-41.92	319.82	4.64	-37.28
O=C(CC(O)C1=CC=CC(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173615	1	37	-1.0	-41.94	319.86	4.64	-37.30
COC(=O)C1=CN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020173616	0	34	-1.0	-41.16	309.38	2.52	-38.64
COC(=O)C1=CN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020173616	1	34	-1.0	-41.19	309.33	2.52	-38.67
CC1(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCC(=O)N1	REAL300020173617	0	40	-1.0	-45.23	324.90	3.11	-42.12
CC1(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCC(=O)N1	REAL300020173617	1	40	-1.0	-45.24	324.94	3.12	-42.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN2C(=O)NN=C12	REAL300020173618	0	33	-1.0	-49.28	291.31	4.26	-45.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN2C(=O)NN=C12	REAL300020173618	1	33	-1.0	-49.33	291.35	4.26	-45.07
CC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173619	0	33	-1.0	-41.07	294.06	6.68	-34.39
CC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173619	1	33	-1.0	-41.05	294.11	6.68	-34.37
CS(=O)(=O)C1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173620	0	40	-1.0	-46.71	355.71	3.48	-43.23
CS(=O)(=O)C1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173620	1	40	-1.0	-46.70	355.76	3.49	-43.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2SCC(=O)NC2=C1	REAL300020173621	0	35	-1.0	-40.81	316.64	2.57	-38.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2SCC(=O)NC2=C1	REAL300020173621	1	35	-1.0	-40.79	316.60	2.56	-38.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2C=CC=CN12	REAL300020173622	0	33	-1.0	-47.20	288.13	5.82	-41.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2C=CC=CN12	REAL300020173622	1	33	-1.0	-47.20	288.08	5.81	-41.39
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173623	0	50	-1.0	-41.36	403.09	6.55	-34.81
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173623	1	50	-1.0	-41.34	403.14	6.55	-34.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=CN2C(Br)=CN=C12	REAL300020173624	0	32	-1.0	-46.38	307.05	4.96	-41.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=CN2C(Br)=CN=C12	REAL300020173624	1	32	-1.0	-46.42	307.00	4.95	-41.47
CC(C)[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020173625	0	45	-1.0	-38.08	343.01	7.44	-30.64
CC(C)[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020173625	1	45	-1.0	-38.05	343.04	7.44	-30.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(C(F)(F)F)C=C2N1	REAL300020173626	0	37	-1.0	-38.26	334.21	6.41	-31.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2N1	REAL300020173626	1	37	-1.0	-38.26	334.26	6.41	-31.85
CC(CC1=CC=C(Br)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173627	0	39	-1.0	-38.21	343.99	8.05	-30.16
CC(CC1=CC=C(Br)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173627	1	39	-1.0	-38.21	344.05	8.05	-30.16
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173628	0	42	-1.0	-53.27	355.47	4.36	-48.91
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173628	1	42	-1.0	-48.51	356.43	4.38	-44.13
CC1=CC(S(C)(=O)=O)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020173629	0	42	-1.0	-53.04	354.63	4.20	-48.84
CC1=CC(S(C)(=O)=O)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020173629	1	42	-1.0	-53.16	354.93	4.21	-48.95
CC1=C2OC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=CC(Br)=C1	REAL300020173630	0	36	-1.0	-41.27	334.42	7.12	-34.15
CC1=C2OC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=CC(Br)=C1	REAL300020173630	1	36	-1.0	-41.22	334.46	7.13	-34.09
COCCOC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NC2=CC=CC=C21	REAL300020173631	0	46	-1.0	-48.59	388.30	5.48	-43.11
COCCOC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NC2=CC=CC=C21	REAL300020173631	1	46	-1.0	-48.56	388.25	5.48	-43.08
CCN1C=C(C(=O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020173632	0	35	-1.0	-44.68	307.53	3.95	-40.73
CCN1C=C(C(=O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020173632	1	35	-1.0	-44.66	307.57	3.95	-40.71
O=C(CCN1C=CC2=CC(Cl)=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173633	0	40	-1.0	-38.65	356.12	8.65	-30.00
O=C(CCN1C=CC2=CC(Cl)=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173633	1	40	-1.0	-38.64	356.16	8.65	-29.99
CC(=CC1=CC=CC(Cl)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173634	0	37	-1.0	-38.50	325.82	7.77	-30.73
CC(=CC1=CC=CC(Cl)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173634	1	37	-1.0	-38.47	325.87	7.78	-30.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1	REAL300020173635	0	39	-1.0	-41.57	356.71	7.34	-34.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1	REAL300020173635	1	39	-1.0	-41.61	356.66	7.34	-34.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2OC1	REAL300020173636	0	36	-1.0	-39.99	312.71	6.02	-33.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2OC1	REAL300020173636	1	36	-1.0	-40.03	312.76	6.02	-34.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1COC2=CC=C(F)C=C2C1	REAL300020173637	0	38	-1.0	-38.04	322.34	6.05	-31.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1COC2=CC=C(F)C=C2C1	REAL300020173637	1	38	-1.0	-38.00	322.38	6.06	-31.94
CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020173638	0	33	-1.0	-41.19	292.76	6.57	-34.62
CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020173638	1	33	-1.0	-41.20	292.80	6.57	-34.63
CCC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020173639	0	38	-1.0	-39.58	329.08	6.86	-32.72
CCC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020173639	1	38	-1.0	-39.55	329.12	6.86	-32.69
CC1(C)OCC(C)(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CO1	REAL300020173640	0	41	-1.0	-41.67	321.98	4.38	-37.29
CC1(C)OCC(C)(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CO1	REAL300020173640	1	41	-1.0	-41.62	322.03	4.39	-37.23
CCC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173641	0	45	-1.0	-40.86	351.83	8.27	-32.59
CCC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173641	1	45	-1.0	-40.75	351.87	8.27	-32.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(Br)=C1	REAL300020173642	0	30	-1.0	-35.85	297.59	6.55	-29.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(Br)=C1	REAL300020173642	1	30	-1.0	-35.84	297.63	6.55	-29.29
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=CC(Br)=CN2N=C1	REAL300020173643	0	32	-1.0	-44.66	306.15	4.98	-39.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=CC(Br)=CN2N=C1	REAL300020173643	1	32	-1.0	-44.84	307.12	5.00	-39.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2CCCO2)=N1	REAL300020173644	0	37	-1.0	-47.17	326.49	3.46	-43.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2CCCO2)=N1	REAL300020173644	1	37	-1.0	-47.11	326.53	3.46	-43.65
CS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020173645	0	33	-1.0	-45.22	314.59	1.96	-43.26
CS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020173645	1	33	-1.0	-45.19	314.63	1.98	-43.21
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173646	0	42	-1.0	-39.63	381.44	9.47	-30.16
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173646	1	42	-1.0	-39.70	381.48	9.47	-30.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CC=CC=C2S1	REAL300020173647	0	32	-1.0	-46.64	296.93	4.97	-41.67
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CC=CC=C2S1	REAL300020173647	1	32	-1.0	-46.68	296.88	4.97	-41.71
CCOC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173648	0	40	-1.0	-46.47	344.59	6.57	-39.90
CCOC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173648	1	40	-1.0	-46.39	344.65	6.57	-39.82
CC(=O)C1=C(C)NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C(C)C	REAL300020173649	0	45	-1.0	-41.18	362.72	6.09	-35.09
CC(=O)C1=C(C)NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C(C)C	REAL300020173649	1	45	-1.0	-42.33	363.75	6.12	-36.21
CC1=CN(CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NO2)N=C1	REAL300020173650	0	39	-1.0	-49.22	345.39	5.23	-43.99
CC1=CN(CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NO2)N=C1	REAL300020173650	1	39	-1.0	-49.14	345.44	5.23	-43.91
CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CO1	REAL300020173651	0	35	-1.0	-43.95	323.90	-0.33	-44.28
CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CO1	REAL300020173651	1	35	-1.0	-43.92	323.95	-0.33	-44.25
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOCC1	REAL300020173652	0	40	-1.0	-39.16	312.34	4.50	-34.66
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOCC1	REAL300020173652	1	40	-1.0	-39.15	312.38	4.51	-34.64
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CC1=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=NN2C=C1	REAL300020173654	0	36	-1.0	-47.99	310.46	5.88	-42.11
CC1=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=NN2C=C1	REAL300020173654	1	36	-1.0	-47.99	310.42	5.88	-42.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(CCO)C(=O)CC1	REAL300020173655	0	38	-1.0	-44.66	325.34	0.21	-44.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(CCO)C(=O)CC1	REAL300020173655	1	38	-1.0	-44.63	325.38	0.21	-44.42
COC(=O)C1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020173656	0	42	-1.0	-40.60	341.22	6.34	-34.26
COC(=O)C1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020173656	1	42	-1.0	-40.58	341.26	6.34	-34.24
CC(CN1CCOCC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173657	0	42	-1.0	-38.45	332.09	2.58	-35.87
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173657	1	43	0.0	-52.55	332.86	4.60	-47.95
CC(CN1CCOCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173657	1	42	-1.0	-38.44	332.13	2.58	-35.86
COC(=O)C1=CN=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173658	0	35	-1.0	-40.49	311.47	4.35	-36.14
COC(=O)C1=CN=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173658	1	35	-1.0	-40.50	311.43	4.35	-36.15
CN(C)S(=O)(=O)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173659	0	37	-1.0	-44.91	323.84	1.25	-43.66
CN(C)S(=O)(=O)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173659	1	37	-1.0	-44.85	323.89	1.25	-43.60
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CN1C=C([N+](=O)[O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020173661	0	32	-1.0	-50.12	290.96	4.76	-45.36
CN1C=C([N+](=O)[O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020173661	1	32	-1.0	-50.13	290.93	4.75	-45.38
O=C(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC1=CC=C2NC(=O)NC2=N1	REAL300020173662	0	43	-1.0	-54.72	372.05	2.70	-52.02
O=C(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC1=CC=C2NC(=O)NC2=N1	REAL300020173662	1	43	-1.0	-54.70	372.09	2.71	-51.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1	REAL300020173663	0	42	-1.0	-46.42	358.35	9.41	-37.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1	REAL300020173663	1	42	-1.0	-46.43	358.30	9.40	-37.03
NS(=O)(=O)C1=CC=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=CC=C12	REAL300020173664	0	40	-1.0	-49.12	347.91	0.97	-48.15
NS(=O)(=O)C1=CC=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=CC=C12	REAL300020173664	1	40	-1.0	-49.14	347.86	0.97	-48.17
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300020173665	0	32	-2.0	-94.63	294.94	5.58	-89.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300020173665	1	32	-2.0	-94.62	294.99	5.59	-89.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1[O-]	REAL300020173666	0	30	-2.0	-97.90	288.06	5.54	-92.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1[O-]	REAL300020173666	1	30	-2.0	-97.82	288.10	5.54	-92.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1O	REAL300020173666	1	31	-1.0	-39.50	291.62	4.53	-34.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1O	REAL300020173666	1	31	-1.0	-39.48	291.67	4.53	-34.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C1O)OCO2	REAL300020173667	0	34	-1.0	-43.39	296.35	2.58	-40.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=C1O)OCO2	REAL300020173667	1	34	-1.0	-43.38	296.40	2.59	-40.79
CCC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1O	REAL300020173668	0	37	-1.0	-41.93	312.02	5.37	-36.56
CCC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1O	REAL300020173668	1	37	-1.0	-41.93	312.07	5.37	-36.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020173669	0	36	-2.0	-103.72	325.97	7.65	-96.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020173669	1	36	-2.0	-103.71	326.01	7.66	-96.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(O)C2=CC=CC=C2C(Cl)=C1	REAL300020173669	1	37	-1.0	-44.42	329.53	6.66	-37.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(O)C2=CC=CC=C2C(Cl)=C1	REAL300020173669	1	37	-1.0	-44.41	329.58	6.66	-37.75
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(O)=C1O	REAL300020173670	0	35	-1.0	-42.50	301.10	2.32	-40.18
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(O)=C1O	REAL300020173670	1	35	-1.0	-42.16	300.13	2.29	-39.87
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(O)=C1C	REAL300020173671	0	37	-1.0	-42.58	307.35	5.16	-37.42
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(O)=C1C	REAL300020173671	1	37	-1.0	-42.57	307.40	5.15	-37.42
CC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(O)=C1	REAL300020173672	0	40	-1.0	-42.51	330.47	5.82	-36.69
CC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(O)=C1	REAL300020173672	1	40	-1.0	-42.44	330.51	5.82	-36.62
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Br)=N1	REAL300020173673	0	32	-1.0	-39.43	294.53	4.85	-34.58
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Br)=N1	REAL300020173673	1	32	-1.0	-39.41	294.58	4.85	-34.56
CCCCS(=O)(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173674	0	40	-1.0	-46.04	347.09	1.15	-44.89
CCCCS(=O)(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173674	1	40	-1.0	-46.05	347.14	1.15	-44.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=CN=N2)C=C1	REAL300020173675	0	36	-1.0	-41.73	314.89	5.33	-36.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=CN=N2)C=C1	REAL300020173675	1	36	-1.0	-41.75	314.85	5.31	-36.44
C=CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020173676	0	40	-1.0	-38.83	335.45	7.97	-30.86
C=CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020173676	1	40	-1.0	-38.83	335.49	7.97	-30.86
COC(=O)C1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173677	0	42	-1.0	-46.18	352.36	7.33	-38.85
COC(=O)C1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173677	1	42	-1.0	-46.16	352.41	7.33	-38.83
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Br)=C1	REAL300020173678	0	33	-1.0	-40.30	299.17	6.77	-33.53
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Br)=C1	REAL300020173678	1	33	-1.0	-40.25	299.21	6.77	-33.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C([O-])C=CC=C1Cl	REAL300020173679	0	30	-2.0	-102.64	287.13	3.71	-98.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C([O-])C=CC=C1Cl	REAL300020173679	1	30	-2.0	-111.55	288.19	3.74	-107.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(O)C=CC=C1Cl	REAL300020173679	1	31	-1.0	-42.40	290.72	2.95	-39.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(O)C=CC=C1Cl	REAL300020173679	1	31	-1.0	-42.44	290.76	2.95	-39.49
CCC1=CC=C(O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173680	0	37	-1.0	-43.66	313.22	5.35	-38.31
CCC1=CC=C(O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173680	1	37	-1.0	-43.58	313.27	5.35	-38.23
CC(C)C1=CC=C(O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173681	0	40	-1.0	-43.87	330.47	5.82	-38.05
CC(C)C1=CC=C(O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173681	1	40	-1.0	-43.87	330.52	5.82	-38.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(CCC2=CC=CC=C2)=CC=C1O	REAL300020173682	0	47	-1.0	-45.81	394.62	9.15	-36.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(CCC2=CC=CC=C2)=CC=C1O	REAL300020173682	1	47	-1.0	-45.85	394.67	9.15	-36.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300020173683	0	44	-1.0	-45.77	373.12	8.37	-37.40
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300020173683	1	44	-1.0	-45.79	373.17	8.37	-37.42
COC1=CC(C)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1O	REAL300020173684	0	38	-1.0	-44.04	320.93	4.33	-39.71
COC1=CC(C)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1O	REAL300020173684	1	38	-1.0	-44.01	320.97	4.33	-39.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300020173685	0	37	-1.0	-48.39	338.63	7.13	-41.26
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300020173685	1	37	-1.0	-48.32	339.59	7.14	-41.18
N#CC1=CC=C(NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020173686	0	35	-1.0	-39.15	314.56	3.96	-35.19
N#CC1=CC=C(NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020173686	1	35	-1.0	-39.14	314.51	3.94	-35.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2OCCO2)=C1	REAL300020173687	0	39	-1.0	-42.52	328.79	5.12	-37.40
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CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCSC1	REAL300020173688	0	39	-1.0	-38.23	318.95	3.93	-34.30
CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCSC1	REAL300020173688	1	39	-1.0	-38.26	318.99	3.93	-34.33
C[N@H+](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCSC1	REAL300020173688	1	40	0.0	-51.57	320.21	6.11	-45.46
C[N@@H+](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCSC1	REAL300020173688	1	40	0.0	-50.61	321.01	6.15	-44.46
CCOC(=O)C1=C2N=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N2N=C1	REAL300020173689	0	41	-1.0	-49.49	358.76	6.51	-42.98
CCOC(=O)C1=C2N=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N2N=C1	REAL300020173689	1	41	-1.0	-49.51	358.73	6.51	-43.00
NC(=O)C1=C2N=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N2N=C1	REAL300020173690	0	36	-1.0	-50.61	317.18	1.51	-49.10
NC(=O)C1=C2N=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N2N=C1	REAL300020173690	1	36	-1.0	-50.22	317.24	1.65	-48.57
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CO1	REAL300020173691	0	32	-1.0	-44.51	301.47	-1.54	-46.05
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CO1	REAL300020173691	1	32	-1.0	-44.54	301.52	-1.54	-46.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C=N1	REAL300020173692	0	36	-1.0	-50.09	316.97	7.14	-42.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=N1	REAL300020173692	1	36	-1.0	-50.15	316.92	7.14	-43.01
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173693	0	48	-1.0	-39.84	387.70	9.99	-29.85
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173693	1	48	-1.0	-39.84	387.76	9.99	-29.85
CC1=CN2C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C2C=C1	REAL300020173694	0	36	-1.0	-46.89	309.40	6.48	-40.41
CC1=CN2C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C2C=C1	REAL300020173694	1	36	-1.0	-46.89	309.33	6.47	-40.42
COC(=O)C1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173695	0	39	-1.0	-48.32	332.91	6.52	-41.80
COC(=O)C1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173695	1	39	-1.0	-48.26	332.96	6.52	-41.74
CN(C)C1=CN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020173696	0	36	-1.0	-45.10	308.42	3.52	-41.58
CN(C)C1=CN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020173696	1	36	-1.0	-45.10	308.38	3.52	-41.58
CN1C=NN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020173697	0	33	-1.0	-49.59	293.73	4.59	-45.00
CN1C=NN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020173697	1	33	-1.0	-49.52	293.77	4.59	-44.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(Cl)=C1F	REAL300020173698	0	29	-1.0	-36.92	277.70	4.22	-32.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(Cl)=C1F	REAL300020173698	1	29	-1.0	-36.94	277.65	4.21	-32.73
CC(OC1=CC=CC(CO)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173699	0	41	-1.0	-41.99	345.76	3.85	-38.14
CC(OC1=CC=CC(CO)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173699	1	41	-1.0	-41.97	345.80	3.85	-38.12
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173700	0	35	-1.0	-43.43	336.41	1.00	-42.43
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173700	1	35	-1.0	-43.41	336.46	1.00	-42.41
CC1=CC=C(CC2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)C=C1	REAL300020173701	0	42	-1.0	-49.38	372.50	7.62	-41.76
CC1=CC=C(CC2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)C=C1	REAL300020173701	1	42	-1.0	-49.37	372.54	7.62	-41.75
CC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173702	0	36	-1.0	-41.67	308.99	6.60	-35.07
CC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173702	1	36	-1.0	-41.66	309.06	6.60	-35.06
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020173703	0	36	-1.0	-37.49	323.17	7.31	-30.18
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020173703	1	36	-1.0	-37.49	323.21	7.31	-30.18
CC(C)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020173704	0	46	-1.0	-50.28	378.81	8.14	-42.14
CC(C)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020173704	1	46	-1.0	-50.28	378.88	8.15	-42.13
CSCC1=NOC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020173705	0	38	-1.0	-41.76	342.80	3.59	-38.17
CSCC1=NOC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020173705	1	38	-1.0	-41.68	342.84	3.59	-38.09
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(Br)C=C2C=C1	REAL300020173706	0	36	-1.0	-39.72	328.82	8.35	-31.37
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(Br)C=C2C=C1	REAL300020173706	1	36	-1.0	-39.72	328.86	8.35	-31.37
O=C(CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1)NC1CCCC1	REAL300020173707	0	47	-1.0	-53.48	391.03	4.83	-48.65
O=C(CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1)NC1CCCC1	REAL300020173707	1	47	-1.0	-53.51	390.99	4.82	-48.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1OCCC2=CC=CC=C21	REAL300020173708	0	38	-1.0	-42.80	311.18	5.72	-37.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1OCCC2=CC=CC=C21	REAL300020173708	1	38	-1.0	-42.79	311.22	5.71	-37.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=C3OCCC3=C2)=NO1	REAL300020173709	0	41	-1.0	-43.47	356.16	6.33	-37.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=C3OCCC3=C2)=NO1	REAL300020173709	1	41	-1.0	-43.46	356.13	6.32	-37.14
CNC(=O)COC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173710	0	44	-1.0	-50.05	375.15	4.98	-45.07
CNC(=O)COC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173710	1	44	-1.0	-50.05	375.19	4.99	-45.06
CS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173711	0	36	-1.0	-53.45	326.72	3.09	-50.36
CS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173711	1	36	-1.0	-53.38	326.76	3.09	-50.29
CC1(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC(=O)NC1=O	REAL300020173712	0	41	-1.0	-45.90	341.55	0.51	-45.39
CC1(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC(=O)NC1=O	REAL300020173712	1	41	-1.0	-45.90	341.59	0.52	-45.38
CC(C)OC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020173713	0	39	-1.0	-44.01	332.95	4.19	-39.82
CC(C)OC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020173713	1	39	-1.0	-44.01	332.90	4.19	-39.82
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C1=CC=CC=N1	REAL300020173714	0	43	-1.0	-43.53	360.18	7.16	-36.37
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C1=CC=CC=N1	REAL300020173714	1	43	-1.0	-43.53	360.13	7.15	-36.38
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC=C1C1=CC=CC=N1	REAL300020173715	0	42	-1.0	-45.89	342.84	8.54	-37.35
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC=C1C1=CC=CC=N1	REAL300020173715	1	42	-1.0	-45.85	342.89	8.55	-37.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C(Cl)=N1	REAL300020173716	0	35	-1.0	-48.56	318.55	6.37	-42.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C(Cl)=N1	REAL300020173716	1	35	-1.0	-48.53	318.51	6.36	-42.17
CCCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OCCC	REAL300020173717	0	53	-1.0	-41.73	430.58	8.77	-32.96
CCCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OCCC	REAL300020173717	1	53	-1.0	-41.79	430.63	8.78	-33.01
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1NC(=O)OC(C)(C)C	REAL300020173718	0	50	-1.0	-46.71	402.76	6.66	-40.05
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1NC(=O)OC(C)(C)C	REAL300020173718	1	50	-1.0	-46.66	402.80	6.68	-39.98
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O=C(CC1=CC(F)=CC=C1Br)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173721	0	33	-1.0	-38.89	309.73	6.71	-32.18
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CC(C)C1=C([N+](=O)[O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020173722	0	38	-1.0	-45.98	337.17	4.63	-41.35
CC(C)C1=C([N+](=O)[O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020173722	1	38	-1.0	-45.93	337.21	4.63	-41.30
O=C(CSC1=CC=CC(Br)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173723	0	34	-1.0	-37.89	324.94	7.21	-30.68
O=C(CSC1=CC=CC(Br)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173723	1	34	-1.0	-37.86	324.98	7.21	-30.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC2=C1C=CS2	REAL300020173724	0	37	-1.0	-40.48	310.18	7.17	-33.31
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN2C=NC=C2C1	REAL300020173725	0	37	-1.0	-41.66	305.65	6.32	-35.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN2C=NC=C2C1	REAL300020173725	1	37	-1.0	-41.72	305.69	6.33	-35.39
CN(C)C(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020173726	0	42	-1.0	-46.83	361.81	5.71	-41.12
CN(C)C(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020173726	1	42	-1.0	-47.50	361.87	5.72	-41.78
CC(C)C1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020173727	0	35	-1.0	-41.02	312.11	4.71	-36.31
CC(C)C1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020173727	1	35	-1.0	-41.01	312.15	4.71	-36.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NC=CN2C=C1	REAL300020173728	0	33	-1.0	-41.90	288.15	6.04	-35.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NC=CN2C=C1	REAL300020173728	1	33	-1.0	-41.94	288.11	6.04	-35.90
CC(=O)C(C)(C)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173729	0	40	-1.0	-43.79	321.85	5.37	-38.42
CC(=O)C(C)(C)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173729	1	40	-1.0	-43.76	321.90	5.37	-38.39
COCCOC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173730	0	44	-1.0	-42.83	370.12	5.63	-37.20
COCCOC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173730	1	44	-1.0	-42.84	370.16	5.63	-37.21
CC1=CC=C(C(O)(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(F)(F)F)O1	REAL300020173731	0	40	-1.0	-38.81	350.53	4.59	-34.22
CC1=CC=C(C(O)(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(F)(F)F)O1	REAL300020173731	1	40	-1.0	-38.38	351.60	4.62	-33.76
CCCCN1N=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020173732	0	42	-1.0	-43.68	346.90	6.11	-37.57
CCCCN1N=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020173732	1	42	-1.0	-43.70	346.94	6.12	-37.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300020173733	0	33	-1.0	-35.44	313.32	6.89	-28.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300020173733	1	33	-1.0	-35.42	313.36	6.89	-28.53
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300020173734	0	38	-1.0	-39.80	325.67	7.18	-32.62
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300020173734	1	38	-1.0	-39.78	325.72	7.20	-32.58
CC1=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020173735	0	38	-1.0	-44.15	324.18	6.46	-37.69
CC1=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020173735	1	38	-1.0	-44.11	324.22	6.46	-37.65
CC(C)COC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173736	0	47	-1.0	-41.48	386.99	7.64	-33.84
CC(C)COC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173736	1	47	-1.0	-41.45	387.03	7.65	-33.80
O=C(CCCNC(=O)C1=CC=CN=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173737	0	42	-1.0	-44.46	359.13	3.64	-40.82
O=C(CCCNC(=O)C1=CC=CN=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173737	1	42	-1.0	-44.48	359.09	3.64	-40.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1	REAL300020173738	0	35	-1.0	-39.62	328.73	7.17	-32.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1	REAL300020173738	1	35	-1.0	-39.56	328.77	7.16	-32.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Br)=C1	REAL300020173739	0	30	-1.0	-37.01	299.53	6.61	-30.40
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(Br)=C1	REAL300020173739	1	30	-1.0	-37.01	299.57	6.61	-30.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C=C1F	REAL300020173740	0	30	-1.0	-37.97	278.73	5.67	-32.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C=C1F	REAL300020173740	1	30	-1.0	-37.91	278.77	5.67	-32.24
CC1=C(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC=C1	REAL300020173741	0	39	-1.0	-39.04	337.82	7.39	-31.65
CC1=C(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC=C1	REAL300020173741	1	39	-1.0	-39.07	337.87	7.40	-31.67
C=CC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020173742	0	41	-1.0	-42.18	333.49	5.02	-37.16
C=CC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020173742	1	41	-1.0	-41.41	332.51	4.99	-36.42
CC1(C)CCC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C(=O)N2)C1	REAL300020173743	0	46	-1.0	-55.12	361.00	6.04	-49.08
CC1(C)CCC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C(=O)N2)C1	REAL300020173743	1	46	-1.0	-55.12	361.09	6.03	-49.09
O=C(CC1=CC=CC(OC(F)(F)F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173744	0	37	-1.0	-38.03	331.13	5.93	-32.10
O=C(CC1=CC=CC(OC(F)(F)F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173744	1	37	-1.0	-37.96	331.17	5.93	-32.03
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020173745	0	44	-1.0	-37.39	360.21	5.84	-31.55
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020173745	1	44	-1.0	-37.36	360.26	5.85	-31.51
CC1=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=CC=C1	REAL300020173746	0	37	-1.0	-40.30	316.48	6.06	-34.24
CC1=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=CC=C1	REAL300020173746	1	37	-1.0	-40.33	316.52	6.06	-34.27
CC(CSCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173747	0	43	-1.0	-39.38	369.46	8.89	-30.49
CC(CSCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173747	1	43	-1.0	-39.39	369.50	8.89	-30.50
CCC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020173748	0	40	-1.0	-44.59	328.80	4.51	-40.08
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CCOC(=O)NCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173800	0	40	-1.0	-42.12	341.13	2.63	-39.49
CCOC(=O)NCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173800	1	40	-1.0	-42.07	341.17	2.63	-39.44
CC1(C)CCCCC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173801	0	45	-1.0	-38.03	332.70	7.05	-30.98
CC1(C)CCCCC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173801	1	45	-1.0	-38.00	332.74	7.05	-30.95
O=C(CC1CSCCS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173802	0	35	-1.0	-40.21	308.50	6.00	-34.21
O=C(CC1CSCCS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173802	1	35	-1.0	-40.22	308.55	6.01	-34.21
CC1=CC(S(N)(=O)=O)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020173803	0	41	-1.0	-51.05	348.11	1.63	-49.42
CC1=CC(S(N)(=O)=O)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020173803	1	41	-1.0	-51.03	348.41	1.65	-49.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CN=CN2C=C1	REAL300020173804	0	33	-1.0	-40.90	288.71	6.91	-33.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CN=CN2C=C1	REAL300020173804	1	33	-1.0	-40.93	288.75	6.90	-34.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C[NH+]=CN2C=C1	REAL300020173804	1	34	0.0	-58.53	292.18	7.41	-51.12
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1CCSCC1	REAL300020173805	0	39	-1.0	-37.54	314.71	3.76	-33.78
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1CCSCC1	REAL300020173805	1	39	-1.0	-37.52	314.76	3.77	-33.75
NC(=O)C1=CN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020173806	0	33	-1.0	-43.63	305.96	1.04	-42.59
NC(=O)C1=CN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020173806	1	33	-1.0	-43.67	305.91	1.04	-42.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCCCN2N=C1	REAL300020173807	0	37	-1.0	-44.20	305.57	4.86	-39.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCCCN2N=C1	REAL300020173807	1	37	-1.0	-44.21	305.61	4.86	-39.35
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC=C(C)C=C21	REAL300020173808	0	40	-1.0	-40.63	334.24	6.77	-33.86
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC=C(C)C=C21	REAL300020173808	1	40	-1.0	-40.55	333.27	6.75	-33.80
COC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NN2)C=C1	REAL300020173809	0	41	-1.0	-45.97	352.11	4.74	-41.23
COC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NN2)C=C1	REAL300020173809	1	41	-1.0	-45.93	352.16	4.74	-41.19
O=C(CC1=CNC2=CC(Br)=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173810	0	37	-1.0	-40.28	338.31	6.79	-33.49
O=C(CC1=CNC2=CC(Br)=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173810	1	37	-1.0	-40.28	338.36	6.80	-33.48
O=C(CC1=CSC2=CC=C(Cl)C=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173811	0	36	-1.0	-39.24	338.29	8.01	-31.23
O=C(CC1=CSC2=CC=C(Cl)C=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173811	1	36	-1.0	-39.18	338.33	8.01	-31.17
CC1=NC(Cl)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173812	0	32	-1.0	-35.95	289.46	4.78	-31.17
CC1=NC(Cl)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173812	1	32	-1.0	-35.90	289.51	4.79	-31.11
CC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)S1	REAL300020173813	0	32	-1.0	-46.23	286.73	3.97	-42.26
CC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)S1	REAL300020173813	1	32	-1.0	-46.24	286.78	3.97	-42.27
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)S(=O)(=O)C1CCOCC1	REAL300020173814	0	43	-1.0	-39.64	356.03	2.34	-37.30
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)S(=O)(=O)C1CCOCC1	REAL300020173814	1	43	-1.0	-42.39	354.79	2.15	-40.24
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1CCC(C)C	REAL300020173815	0	45	-1.0	-43.32	364.46	6.62	-36.70
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1CCC(C)C	REAL300020173815	1	45	-1.0	-43.34	364.51	6.64	-36.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C=C1Br	REAL300020173816	0	30	-1.0	-36.81	290.44	6.23	-30.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C=C1Br	REAL300020173816	1	30	-1.0	-36.77	290.48	6.23	-30.54
CCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC=N1	REAL300020173817	0	32	-1.0	-39.70	287.15	3.96	-35.74
CCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC=N1	REAL300020173817	1	32	-1.0	-39.69	287.20	3.96	-35.73
O=C(CCC1=CC=C(F)C=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173818	0	36	-1.0	-38.22	319.39	7.06	-31.16
O=C(CCC1=CC=C(F)C=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173818	1	36	-1.0	-38.20	319.43	7.06	-31.14
CC1=CC=C(C(C)C)C(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173819	0	49	-1.0	-39.90	396.02	8.47	-31.43
CC1=CC=C(C(C)C)C(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173819	1	49	-1.0	-39.84	396.06	8.49	-31.35
CC(C)C1=CC=CC=C1OCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173820	0	46	-1.0	-39.68	374.61	7.81	-31.87
CC(C)C1=CC=CC=C1OCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173820	1	46	-1.0	-39.64	374.65	7.82	-31.82
CN1N=C2CCCCC2=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173821	0	40	-1.0	-40.31	318.36	5.88	-34.43
CN1N=C2CCCCC2=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173821	1	40	-1.0	-40.34	318.35	5.90	-34.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=NC=C2)=N1	REAL300020173822	0	35	-1.0	-47.05	324.09	4.53	-42.52
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=NC=C2)=N1	REAL300020173822	1	35	-1.0	-46.99	324.13	4.53	-42.46
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173823	0	42	-1.0	-54.97	361.95	5.79	-49.18
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173823	1	42	-1.0	-54.92	361.99	5.79	-49.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=CNC2=CC=C1	REAL300020173824	0	33	-1.0	-51.17	286.68	5.28	-45.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=CNC2=CC=C1	REAL300020173824	1	33	-1.0	-51.13	286.72	5.29	-45.84
CCCC1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCO1	REAL300020173825	0	43	-1.0	-37.73	341.14	5.64	-32.09
CCCC1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCO1	REAL300020173825	1	43	-1.0	-37.77	341.18	5.64	-32.13
O=C(CCCC1=CSC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173826	0	36	-1.0	-39.18	319.00	6.67	-32.51
O=C(CCCC1=CSC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173826	1	36	-1.0	-39.11	319.05	6.68	-32.43
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020173827	0	45	-1.0	-45.87	376.73	3.61	-42.26
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020173827	1	45	-1.0	-45.89	376.77	3.61	-42.28
CC(C)(C)OC(=O)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020173828	0	44	-1.0	-39.53	359.01	4.73	-34.80
CC(C)(C)OC(=O)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020173828	1	44	-1.0	-39.58	359.05	4.73	-34.85
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC1CCCC1	REAL300020173829	0	48	-1.0	-40.91	384.92	7.62	-33.29
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC1CCCC1	REAL300020173829	1	48	-1.0	-41.12	384.71	7.60	-33.52
O=C(COCC(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173830	0	30	-1.0	-40.81	280.28	3.86	-36.95
O=C(COCC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173830	1	30	-1.0	-40.78	280.33	3.87	-36.91
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173831	0	39	-1.0	-43.07	354.66	6.93	-36.14
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173831	1	39	-1.0	-43.11	354.61	6.93	-36.18
COC1=CC2=NNN=C2C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173832	0	36	-1.0	-43.43	308.32	3.23	-40.20
COC1=CC2=NNN=C2C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173832	1	36	-1.0	-43.43	308.36	3.23	-40.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=NNN=C2C=C1	REAL300020173833	0	31	-1.0	-48.20	277.55	2.09	-46.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=NNN=C2C=C1	REAL300020173833	1	31	-1.0	-48.19	277.59	2.09	-46.10
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173834	0	36	-1.0	-41.06	344.98	7.65	-33.41
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173834	1	36	-1.0	-41.09	345.03	7.66	-33.43
O=C(CC1=CC=C2CC(=O)NC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173835	0	38	-1.0	-42.62	327.09	4.58	-38.04
O=C(CC1=CC=C2CC(=O)NC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173835	1	38	-1.0	-42.53	327.14	4.57	-37.96
CC1=CC=NC=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173836	0	36	-1.0	-42.46	308.73	5.42	-37.04
CC1=CC=NC=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173836	1	36	-1.0	-42.26	307.76	5.40	-36.86
CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173837	0	44	0.0	-48.57	325.34	4.42	-44.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN2C(=CN=C2C2=CC=CC=C2)C1	REAL300020173838	0	47	-1.0	-42.56	380.02	8.81	-33.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN2C(=CN=C2C2=CC=CC=C2)C1	REAL300020173838	1	47	-1.0	-42.51	380.06	8.81	-33.70
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL300020173839	0	40	-1.0	-37.06	358.24	5.29	-31.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL300020173839	1	40	-1.0	-37.08	358.19	5.28	-31.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(CC2=CC=CC(F)=C2)=N1	REAL300020173840	0	39	-1.0	-45.40	357.50	7.01	-38.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(CC2=CC=CC(F)=C2)=N1	REAL300020173840	1	39	-1.0	-45.38	357.54	7.01	-38.37
CC1=CC=C(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173841	0	36	-1.0	-41.77	316.23	6.91	-34.86
CC1=CC=C(C(F)(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173841	1	36	-1.0	-41.53	317.28	6.93	-34.60
CN1N=NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C21	REAL300020173842	0	34	-1.0	-38.38	300.55	3.12	-35.26
CN1N=NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C21	REAL300020173842	1	34	-1.0	-38.44	300.51	3.12	-35.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(C2CC2)=C1	REAL300020173843	0	36	-1.0	-39.00	306.44	5.75	-33.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(C2CC2)=C1	REAL300020173843	1	36	-1.0	-38.92	305.47	5.72	-33.20
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=CC(C#N)=C1	REAL300020173844	0	41	-1.0	-57.01	363.93	7.45	-49.56
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=CC(C#N)=C1	REAL300020173844	1	41	-1.0	-56.98	364.01	7.46	-49.52
CO[C@@H](C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020173845	0	37	-1.0	-39.40	316.58	6.18	-33.22
CO[C@@H](C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020173845	1	37	-1.0	-39.41	316.63	6.18	-33.23
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1C	REAL300020173846	0	36	-1.0	-41.43	309.70	7.12	-34.31
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1C	REAL300020173846	1	36	-1.0	-41.39	309.75	7.11	-34.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NSN=C2C([N+](=O)[O-])=C1	REAL300020173847	0	33	-1.0	-39.42	311.87	4.58	-34.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NSN=C2C([N+](=O)[O-])=C1	REAL300020173847	1	33	-1.0	-39.43	311.83	4.58	-34.85
CC1=CC(F)=CC=C1N1C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020173848	0	40	-1.0	-46.38	350.50	7.64	-38.74
CC1=CC(F)=CC=C1N1C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020173848	1	40	-1.0	-46.45	350.45	7.64	-38.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NNN=C2N=C1	REAL300020173849	0	31	-1.0	-40.82	276.38	2.04	-38.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NNN=C2N=C1	REAL300020173849	1	31	-1.0	-40.75	276.42	2.04	-38.71
O=C(CN1C=NC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173850	0	36	-1.0	-42.96	312.87	7.19	-35.77
O=C(CN1C=NC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173850	1	36	-1.0	-42.96	312.83	7.20	-35.76
CCC1=NC2=CC=CC=C2N1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173851	0	42	-1.0	-41.97	351.39	7.52	-34.45
CCC1=NC2=CC=CC=C2N1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173851	1	42	-1.0	-41.89	351.43	7.53	-34.36
O=C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NCC(F)(F)F	REAL300020173852	0	33	-1.0	-43.05	303.03	3.40	-39.65
O=C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NCC(F)(F)F	REAL300020173852	1	33	-1.0	-43.08	303.08	3.41	-39.67
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CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=C(Cl)C=C1	REAL300020173881	0	40	-1.0	-47.82	357.34	7.54	-40.28
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=C(Cl)C=C1	REAL300020173881	1	40	-1.0	-47.78	357.38	7.54	-40.24
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300020173882	0	39	-1.0	-38.43	357.09	7.11	-31.32
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300020173882	1	39	-1.0	-38.48	357.04	7.10	-31.38
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CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1O	REAL300020173885	0	37	-1.0	-40.91	316.23	4.04	-36.87
CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1O	REAL300020173885	1	37	-1.0	-40.91	316.27	4.04	-36.87
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CN1N=NN=C1SCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173888	0	32	-1.0	-42.57	299.39	2.76	-39.81
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CC(C)(C)SC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020173890	0	42	-1.0	-38.14	352.71	7.80	-30.34
CC(C)(C)SC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020173890	1	42	-1.0	-38.19	352.66	7.80	-30.39
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CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1CC	REAL300020173892	0	42	-1.0	-41.25	338.46	8.04	-33.21
CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1CC	REAL300020173892	1	42	-1.0	-41.26	338.52	8.04	-33.22
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173893	0	45	-1.0	-43.24	374.22	6.46	-36.78
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173893	1	45	-1.0	-43.24	374.26	6.47	-36.77
CC1=CC=CC(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173894	0	39	-1.0	-39.71	320.22	7.19	-32.52
CC1=CC=CC(C)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173894	1	39	-1.0	-39.68	320.27	7.20	-32.48
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CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=NC(C)=NC(N)=C12	REAL300020173898	1	39	-1.0	-44.96	336.02	4.46	-40.50
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CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173899	1	42	-1.0	-47.92	366.22	2.87	-45.05
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CSC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173902	0	37	-1.0	-42.78	322.57	7.04	-35.74
CSC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173902	1	37	-1.0	-42.81	322.61	7.04	-35.77
COCCOC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020173903	0	40	-1.0	-40.35	344.41	2.41	-37.94
COCCOC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020173903	1	40	-1.0	-40.60	343.35	2.38	-38.22
CC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020173904	0	35	-1.0	-43.45	305.52	5.93	-37.52
CC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020173904	1	35	-1.0	-43.45	305.56	5.93	-37.52
COC1=NC(C)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173905	0	36	-1.0	-42.76	308.12	3.96	-38.80
COC1=NC(C)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173905	1	36	-1.0	-42.75	308.16	3.97	-38.78
O=C(C=C1CCSCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173906	0	35	-1.0	-38.05	296.00	6.03	-32.02
O=C(C=C1CCSCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173906	1	35	-1.0	-38.01	296.10	6.02	-31.99
CCCC(CCC)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173907	0	44	-1.0	-38.09	339.91	7.24	-30.85
CCCC(CCC)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173907	1	44	-1.0	-38.15	339.96	7.25	-30.90
COCC1=NN=C(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)O1	REAL300020173908	0	42	-1.0	-45.33	368.05	1.19	-44.14
COCC1=NN=C(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)O1	REAL300020173908	1	42	-1.0	-45.30	368.09	1.19	-44.11
CC1=CSC2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C(=O)N12	REAL300020173909	0	35	-1.0	-54.84	310.28	5.41	-49.43
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1=CC=C(Cl)C=C1	REAL300020173910	0	42	-1.0	-38.64	357.45	8.63	-30.01
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1=CC=C(Cl)C=C1	REAL300020173910	1	42	-1.0	-38.63	357.49	8.64	-29.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C(O)C1=NC2=CC=CC=C2S1	REAL300020173911	0	40	-1.0	-42.51	356.22	1.64	-40.87
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C(O)C1=NC2=CC=CC=C2S1	REAL300020173911	1	40	-1.0	-42.48	356.26	1.65	-40.83
O=C(C=CC1=CC=C(O)C(O)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173912	0	36	-1.0	-43.28	317.74	1.76	-41.52
O=C(C=CC1=CC=C(O)C(O)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173912	1	36	-1.0	-43.25	317.78	1.78	-41.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2=NN=CO2)=C1	REAL300020173913	0	35	-1.0	-45.55	312.40	1.40	-44.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2=NN=CO2)=C1	REAL300020173913	1	35	-1.0	-45.52	312.45	1.40	-44.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C=CNC2=N1	REAL300020173914	0	33	-1.0	-48.09	289.91	4.83	-43.26
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C=CNC2=N1	REAL300020173914	1	33	-1.0	-48.06	289.95	4.83	-43.23
CN1C=NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C21	REAL300020173915	0	35	-1.0	-45.96	304.93	5.98	-39.98
CN1C=NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C21	REAL300020173915	1	35	-1.0	-45.92	304.88	5.98	-39.94
COC1=C(C)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020173916	0	40	-1.0	-40.90	335.03	6.38	-34.52
COC1=C(C)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020173916	1	40	-1.0	-40.94	335.07	6.39	-34.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1O	REAL300020173917	0	34	-1.0	-39.05	309.01	4.91	-34.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1O	REAL300020173917	1	34	-1.0	-39.05	309.06	4.91	-34.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300020173917	1	33	-2.0	-95.83	305.45	5.92	-89.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300020173917	1	33	-2.0	-95.70	305.49	5.92	-89.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C=CC=NN21	REAL300020173918	0	33	-1.0	-49.66	288.18	5.53	-44.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C=CC=NN21	REAL300020173918	1	33	-1.0	-49.71	288.16	5.53	-44.18
CC(C)C1=CC=CC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)O2)=C1	REAL300020173919	0	46	-1.0	-47.55	385.39	9.14	-38.41
CC(C)C1=CC=CC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)O2)=C1	REAL300020173919	1	46	-1.0	-47.46	385.44	9.15	-38.31
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1F	REAL300020173920	0	30	-1.0	-36.56	288.05	6.10	-30.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1F	REAL300020173920	1	30	-1.0	-36.65	288.10	6.10	-30.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)N=CS1	REAL300020173921	0	26	-1.0	-38.90	266.62	3.15	-35.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)N=CS1	REAL300020173921	1	26	-1.0	-38.98	266.57	3.15	-35.83
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1N=NN=C1C(C)(C)C	REAL300020173922	0	43	-1.0	-39.97	347.66	4.47	-35.50
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1N=NN=C1C(C)(C)C	REAL300020173922	1	43	-1.0	-39.95	347.62	4.46	-35.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(NC2CC2)=N1	REAL300020173923	0	35	-1.0	-44.68	317.51	4.20	-40.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(NC2CC2)=N1	REAL300020173923	1	35	-1.0	-44.72	317.47	4.20	-40.52
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=C(F)C=C1	REAL300020173924	0	40	-1.0	-48.03	347.02	7.09	-40.94
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=C(F)C=C1	REAL300020173924	1	40	-1.0	-48.03	347.07	7.09	-40.94
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=C(C)C=C1	REAL300020173925	0	43	-1.0	-50.25	363.03	7.73	-42.52
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL300020173925	1	43	-1.0	-50.21	363.08	7.73	-42.48
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=CC(Cl)=C1	REAL300020173926	0	40	-1.0	-52.56	359.83	7.57	-44.99
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300020173926	1	40	-1.0	-52.52	359.88	7.59	-44.93
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC(C)=CC(C)=C1	REAL300020173927	0	46	-1.0	-51.32	384.85	8.38	-42.94
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300020173927	1	46	-1.0	-51.31	384.89	8.38	-42.93
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173928	0	47	-1.0	-43.27	391.50	9.48	-33.79
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173928	1	47	-1.0	-43.25	391.54	9.48	-33.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(OC2CCCCC2)=C1	REAL300020173929	0	46	-1.0	-38.52	372.54	5.98	-32.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(OC2CCCCC2)=C1	REAL300020173929	1	46	-1.0	-38.53	372.50	5.98	-32.55
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C(C)C1CC1	REAL300020173930	0	43	-1.0	-49.66	360.18	6.84	-42.82
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C(C)C1CC1	REAL300020173930	1	43	-1.0	-49.62	360.22	6.84	-42.78
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173931	0	50	-1.0	-41.61	407.95	6.41	-35.20
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173931	1	50	-1.0	-41.59	408.00	6.41	-35.18
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020173932	0	45	-1.0	-39.26	371.13	8.19	-31.07
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020173932	1	45	-1.0	-39.20	371.17	8.19	-31.01
CC1=CN2C(=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=O)S1	REAL300020173933	0	35	-1.0	-54.53	315.05	5.72	-48.81
CCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(=O)N1	REAL300020173934	0	36	-1.0	-41.04	309.34	3.69	-37.35
CCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(=O)N1	REAL300020173934	1	36	-1.0	-41.05	309.39	3.69	-37.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(OCC(F)F)=CC=N1	REAL300020173935	0	36	-1.0	-50.05	322.36	4.31	-45.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(OCC(F)F)=CC=N1	REAL300020173935	1	36	-1.0	-50.04	322.32	4.30	-45.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL300020173936	0	39	-1.0	-42.74	344.88	4.07	-38.67
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL300020173936	1	39	-1.0	-42.78	344.83	4.07	-38.71
COC1=C2C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CNC2=CC=C1	REAL300020173937	0	41	-1.0	-46.68	345.16	5.52	-41.16
COC1=C2C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CNC2=CC=C1	REAL300020173937	1	41	-1.0	-46.64	345.20	5.52	-41.12
CCCCCCCCC(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173938	0	53	-1.0	-37.66	411.58	9.87	-27.79
CCCCCCCCC(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173938	1	53	-1.0	-37.64	411.62	9.87	-27.77
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2CCCCC2)=N1	REAL300020173939	0	45	-1.0	-39.72	370.40	7.19	-32.53
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2CCCCC2)=N1	REAL300020173939	1	45	-1.0	-39.73	370.45	7.19	-32.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1	REAL300020173940	0	35	-1.0	-43.23	314.96	5.16	-38.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1	REAL300020173940	1	35	-1.0	-43.22	315.00	5.16	-38.06
CC1=CC(Br)=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173941	0	36	-1.0	-37.86	323.16	7.23	-30.63
CC1=CC(Br)=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173941	1	36	-1.0	-37.81	323.20	7.24	-30.57
COC1=CC=C(N2N=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C)C=C1	REAL300020173942	0	44	-1.0	-50.81	370.08	6.32	-44.49
COC1=CC=C(N2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C)C=C1	REAL300020173942	1	44	-1.0	-50.78	370.13	6.32	-44.46
CC1=CC(F)=C2NC(=O)C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020173943	0	39	-1.0	-42.50	334.63	5.27	-37.23
CC1=CC(F)=C2NC(=O)C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020173943	1	39	-1.0	-42.46	334.73	5.29	-37.17
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173944	0	46	-1.0	-43.09	391.29	7.63	-35.46
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173944	1	46	-1.0	-43.10	391.24	7.63	-35.47
COCCC1=NN=C(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)O1	REAL300020173945	0	45	-1.0	-43.59	389.55	1.97	-41.62
COCCC1=NN=C(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)O1	REAL300020173945	1	45	-1.0	-43.59	389.59	1.97	-41.62
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C(C)C	REAL300020173946	0	39	-1.0	-44.08	324.48	5.27	-38.81
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C(C)C	REAL300020173946	1	39	-1.0	-44.04	324.53	5.28	-38.76
CCC(C)OC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020173947	0	42	-1.0	-38.68	351.69	4.87	-33.81
CCC(C)OC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020173947	1	42	-1.0	-38.64	350.63	4.84	-33.80
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C)=C1	REAL300020173948	0	40	-1.0	-40.90	338.82	7.99	-32.91
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C)=C1	REAL300020173948	1	40	-1.0	-40.84	338.86	7.99	-32.85
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173949	0	47	-1.0	-45.19	386.07	9.98	-35.21
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173949	1	47	-1.0	-45.16	386.11	9.99	-35.17
CC(C)CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(=O)N1	REAL300020173950	0	42	-1.0	-40.92	347.17	5.40	-35.52
CC(C)CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(=O)N1	REAL300020173950	1	42	-1.0	-40.93	347.21	5.40	-35.53
COC(=O)C1=NOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020173951	0	32	-1.0	-38.98	296.35	3.47	-35.51
COC(=O)C1=NOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020173951	1	32	-1.0	-38.99	296.31	3.47	-35.52
CC1=CC=CC(C2=NOC(SCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)=C1	REAL300020173952	0	42	-1.0	-41.39	380.27	5.93	-35.46
CC1=CC=CC(C2=NOC(SCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)=C1	REAL300020173952	1	42	-1.0	-41.40	380.22	5.92	-35.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=NC=C1F	REAL300020173953	0	29	-1.0	-37.58	282.83	4.31	-33.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=NC=C1F	REAL300020173953	1	29	-1.0	-37.64	282.78	4.30	-33.34
CC(=CC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173954	0	37	-1.0	-40.14	324.47	7.71	-32.43
CC(=CC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173954	1	37	-1.0	-41.35	323.18	7.68	-33.67
CC1=NC(COC2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=NO1	REAL300020173955	0	42	-1.0	-46.89	364.32	4.27	-42.62
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COC1=CC2=C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC=C2C=C1	REAL300020173978	0	43	-1.0	-46.93	357.12	7.55	-39.38
COC1=CC2=C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC=C2C=C1	REAL300020173978	1	43	-1.0	-46.90	357.16	7.56	-39.34
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COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020173980	0	34	-1.0	-44.37	295.34	4.86	-39.51
COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020173980	1	34	-1.0	-44.37	295.38	4.87	-39.50
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CC(=O)N(CCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173982	0	46	-1.0	-42.06	385.27	7.89	-34.17
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CC(SC1=NC2=CC=CC=C2S1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173983	1	39	-1.0	-41.78	355.50	7.19	-34.59
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173984	0	53	-1.0	-44.10	415.58	7.09	-37.01
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COC1=CC=CC(C2=NC(C)=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N2)=C1	REAL300020173987	1	44	-1.0	-41.01	370.75	5.84	-35.17
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CCS(=O)(=O)C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174004	1	45	-1.0	-46.79	389.73	5.39	-41.40
CC(C)CC1=CC=C(C(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174005	0	48	-1.0	-38.99	383.02	9.37	-29.62
CC(C)CC1=CC=C(C(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174005	1	48	-1.0	-38.99	383.07	9.37	-29.62
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(Cl)C=C1F	REAL300020174006	1	30	-1.0	-37.88	288.65	6.13	-31.75
CN1N=CC([N+](=O)[O-])=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174007	0	32	-1.0	-48.32	296.43	3.77	-44.55
CN1N=CC([N+](=O)[O-])=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174007	1	32	-1.0	-48.20	296.36	3.78	-44.42
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(N(C)C)=N1	REAL300020174008	0	37	-1.0	-42.70	321.65	5.05	-37.65
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(N(C)C)=N1	REAL300020174008	1	37	-1.0	-42.68	321.69	5.06	-37.62
CCOC(=O)C1=CN=C(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174009	0	41	-1.0	-44.05	349.36	5.93	-38.12
CCOC(=O)C1=CN=C(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174009	1	41	-1.0	-44.03	349.41	5.94	-38.09
CC1=C(C#N)C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020174010	0	33	-1.0	-43.56	303.40	4.74	-38.82
CC1=C(C#N)C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020174010	1	33	-1.0	-43.58	303.44	4.74	-38.84
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL300020174011	0	42	-1.0	-40.38	331.46	5.61	-34.77
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL300020174011	1	42	-1.0	-40.40	331.53	5.61	-34.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=NNC=C2C1	REAL300020174012	0	37	-1.0	-40.55	304.79	4.19	-36.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=NNC=C2C1	REAL300020174012	1	37	-1.0	-40.50	304.84	4.19	-36.31
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2CCCO2)S1	REAL300020174013	0	37	-1.0	-43.86	327.19	3.62	-40.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CCCO2)S1	REAL300020174013	1	37	-1.0	-43.81	327.23	3.63	-40.18
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC2=CC=CN=C21	REAL300020174014	0	35	-1.0	-48.37	307.03	6.37	-42.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC2=CC=CN=C21	REAL300020174014	1	35	-1.0	-48.36	306.99	6.37	-41.99
O=C(CCC1=CN=CC(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174015	0	35	-1.0	-38.78	307.82	5.23	-33.55
O=C(CCC1=CN=CC(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174015	1	35	-1.0	-39.03	308.78	5.24	-33.79
CC(=O)C1=CC=C(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)C=C1	REAL300020174016	0	46	-1.0	-40.70	390.69	8.74	-31.96
CC(=O)C1=CC=C(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C=C1	REAL300020174016	1	46	-1.0	-40.64	390.74	8.74	-31.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OCC(F)F)=N1	REAL300020174017	0	36	-1.0	-43.14	324.81	3.58	-39.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OCC(F)F)=N1	REAL300020174017	1	36	-1.0	-43.18	324.76	3.57	-39.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(N2CCOCC2)=C1	REAL300020174018	0	42	-1.0	-41.61	340.75	2.48	-39.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(N2CCOCC2)=C1	REAL300020174018	1	42	-1.0	-41.61	340.70	2.47	-39.14
CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Br	REAL300020174019	0	33	-1.0	-40.90	295.96	6.68	-34.22
CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Br	REAL300020174019	1	33	-1.0	-40.90	296.01	6.68	-34.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2CCCCC2C1	REAL300020174020	0	46	-1.0	-38.16	348.94	8.04	-30.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2CCCCC2C1	REAL300020174020	1	46	-1.0	-38.11	348.99	8.04	-30.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300020174021	0	30	-1.0	-35.70	284.07	6.05	-29.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300020174021	1	30	-1.0	-35.67	284.11	6.05	-29.62
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174022	0	46	-1.0	-38.05	370.52	3.91	-34.14
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174022	1	46	-1.0	-37.41	371.52	3.93	-33.48
O=C(CCCC1=CC(F)=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174023	0	39	-1.0	-40.53	340.88	7.84	-32.69
O=C(CCCC1=CC(F)=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174023	1	39	-1.0	-40.53	340.93	7.85	-32.68
COC1=CC=C(CC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174024	0	43	-1.0	-39.99	352.18	6.71	-33.28
COC1=CC=C(CC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174024	1	43	-1.0	-39.96	352.22	6.72	-33.24
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174025	0	44	-1.0	-41.91	373.24	7.50	-34.41
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174025	1	44	-1.0	-41.91	373.28	7.50	-34.41
N#CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174026	0	34	-1.0	-46.02	303.74	6.66	-39.36
N#CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174026	1	34	-1.0	-45.95	303.78	6.66	-39.29
CC(C)(C)SCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174027	0	42	-1.0	-39.16	348.70	7.17	-31.99
CC(C)(C)SCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174027	1	42	-1.0	-39.18	348.74	7.17	-32.01
CC(C)CC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174028	0	51	-1.0	-39.36	410.18	10.43	-28.93
CC(C)CC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174028	1	51	-1.0	-39.33	410.22	10.44	-28.89
CC1=NOC(C)=C1C(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174029	0	41	-1.0	-39.73	332.67	6.00	-33.73
CC1=NOC(C)=C1C(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174029	1	41	-1.0	-39.68	332.71	6.01	-33.67
CC(C)(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020174030	0	45	-1.0	-39.14	355.08	8.30	-30.84
CC(C)(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020174030	1	45	-1.0	-39.12	355.12	8.31	-30.81
COC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(OC)=C1	REAL300020174031	0	47	-1.0	-43.21	386.82	6.40	-36.81
COC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(OC)=C1	REAL300020174031	1	47	-1.0	-43.21	386.86	6.40	-36.81
CCS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174032	0	39	-1.0	-47.46	343.63	3.90	-43.56
CCS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174032	1	39	-1.0	-47.48	343.68	3.90	-43.58
CC1=CC=C(S(N)(=O)=O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174033	0	38	-1.0	-46.83	326.57	2.18	-44.65
CC1=CC=C(S(N)(=O)=O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174033	1	38	-1.0	-43.06	327.62	2.22	-40.84
CC1=NNC(C)=C1C(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174034	0	42	-1.0	-40.52	333.92	4.71	-35.81
CC1=NNC(C)=C1C(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174034	1	42	-1.0	-40.54	333.97	4.70	-35.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(N2CCCC2)=N1	REAL300020174035	0	40	-1.0	-45.70	332.17	5.40	-40.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(N2CCCC2)=N1	REAL300020174035	1	40	-1.0	-45.72	332.13	5.39	-40.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCN(CC(F)(F)F)C1	REAL300020174036	0	41	-1.0	-39.09	331.75	3.85	-35.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCN(CC(F)(F)F)C1	REAL300020174036	1	41	-1.0	-39.12	331.81	3.85	-35.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2C=CN=N2)=C1	REAL300020174037	0	36	-1.0	-47.63	313.94	5.38	-42.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2C=CN=N2)=C1	REAL300020174037	1	36	-1.0	-47.64	313.90	5.38	-42.26
COC1=CC=C2C(=C1)OCC2CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174038	0	42	-1.0	-40.65	348.69	5.22	-35.43
COC1=CC=C2C(=C1)OCC2CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174038	1	42	-1.0	-40.61	348.74	5.24	-35.37
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1CCCC1	REAL300020174039	0	43	-1.0	-44.22	347.55	6.64	-37.58
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1CCCC1	REAL300020174039	1	43	-1.0	-44.23	347.59	6.64	-37.59
CCC1=CSC(N2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=N2)=N1	REAL300020174040	0	39	-1.0	-46.17	352.84	6.18	-39.99
CCC1=CSC(N2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=N2)=N1	REAL300020174040	1	39	-1.0	-46.18	352.80	6.16	-40.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=CC=CC([N+](=O)[O-])=C12	REAL300020174041	0	36	-1.0	-53.28	315.66	7.04	-46.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=CC=CC([N+](=O)[O-])=C12	REAL300020174041	1	36	-1.0	-51.97	316.71	7.08	-44.89
C=C(C)C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)OCC	REAL300020174042	0	40	-1.0	-40.30	333.78	5.84	-34.46
C=C(C)C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)OCC	REAL300020174042	1	40	-1.0	-40.32	333.82	5.85	-34.47
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL300020174043	0	36	-1.0	-42.49	308.63	6.66	-35.83
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL300020174043	1	36	-1.0	-42.68	309.65	6.69	-35.99
N#CCOC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174044	0	38	-1.0	-44.98	335.85	6.14	-38.84
N#CCOC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174044	1	38	-1.0	-45.03	335.89	6.14	-38.89
CC1=CC=C(C2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)N1C	REAL300020174045	0	40	-1.0	-51.98	349.75	5.91	-46.07
CC1=CC=C(C2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)N1C	REAL300020174045	1	40	-1.0	-52.00	349.70	5.91	-46.09
CN1C(=O)CCC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020174046	0	41	-1.0	-42.05	338.03	6.39	-35.66
CN1C(=O)CCC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020174046	1	41	-1.0	-42.05	338.07	6.39	-35.66
CC1=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C	REAL300020174047	0	39	-1.0	-42.89	328.64	5.18	-37.71
CC1=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C	REAL300020174047	1	39	-1.0	-42.87	328.68	5.19	-37.68
COC1CCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020174048	0	43	-1.0	-40.11	336.34	5.57	-34.54
COC1CCC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020174048	1	43	-1.0	-40.02	336.38	5.57	-34.45
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1CCOC1CCCCO1	REAL300020174049	0	51	-1.0	-45.05	412.47	5.97	-39.08
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1CCOC1CCCCO1	REAL300020174049	1	51	-1.0	-45.01	412.51	5.97	-39.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2N=C1	REAL300020174050	0	35	-1.0	-40.34	309.26	5.93	-34.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2N=C1	REAL300020174050	1	35	-1.0	-40.36	309.21	5.93	-34.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(OCC(F)F)=C1	REAL300020174051	0	36	-1.0	-41.51	323.80	3.46	-38.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(OCC(F)F)=C1	REAL300020174051	1	36	-1.0	-41.53	322.74	3.43	-38.10
O=C(CCC1=CC(Br)=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174052	0	36	-1.0	-38.54	334.27	7.61	-30.93
O=C(CCC1=CC(Br)=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174052	1	36	-1.0	-38.55	334.32	7.62	-30.93
CCC(CC)N1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020174053	0	45	-1.0	-49.25	366.15	6.78	-42.47
CCC(CC)N1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020174053	1	45	-1.0	-49.26	366.19	6.79	-42.47
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1CCCCC1	REAL300020174054	0	46	-1.0	-49.79	370.30	7.17	-42.62
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1CCCCC1	REAL300020174054	1	46	-1.0	-49.75	370.35	7.17	-42.58
CC(CC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174055	0	39	-1.0	-41.16	336.02	7.80	-33.36
CC(CC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174055	1	39	-1.0	-41.17	336.07	7.80	-33.37
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CC1=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C	REAL300020174056	1	37	-1.0	-45.95	317.86	4.96	-40.99
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CC1=NC=CC(NCC2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=N1	REAL300020174090	1	46	-1.0	-44.11	389.57	6.97	-37.14
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=N1	REAL300020174090	1	47	0.0	-62.80	392.70	7.42	-55.38
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CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020174099	1	49	-1.0	-40.24	404.80	4.08	-36.16
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CC1=C(C2=CC=CC=C2)NN=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174105	0	40	-1.0	-45.35	340.80	6.04	-39.31
CC1=C(C2=CC=CC=C2)NN=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174105	1	40	-1.0	-45.34	340.85	6.04	-39.30
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N#CC1=CC=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174106	1	38	-1.0	-42.03	341.32	4.38	-37.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=CC=NN2N=C1	REAL300020174107	0	32	-1.0	-49.58	284.64	3.51	-46.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=CC=NN2N=C1	REAL300020174107	1	32	-1.0	-49.64	284.59	3.51	-46.13
CC1=CC(C)=NC(=O)N1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174108	0	38	-1.0	-50.14	324.56	3.65	-46.49
CC1=CC(C)=NC(=O)N1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174108	1	38	-1.0	-50.12	324.60	3.65	-46.47
CC1=C(Br)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N1	REAL300020174109	0	33	-1.0	-53.89	302.91	3.80	-50.09
CC1=C(Br)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N1	REAL300020174109	1	33	-1.0	-53.83	302.95	3.80	-50.03
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174110	0	38	-2.0	-91.55	332.83	2.23	-89.32
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174110	1	38	-2.0	-91.52	332.89	2.23	-89.29
CCNS(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174111	0	44	-1.0	-44.58	383.78	3.18	-41.40
CCNS(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174111	1	44	-1.0	-44.52	383.83	3.19	-41.33
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC(C2CC2)=N1	REAL300020174112	0	36	-1.0	-42.39	310.94	3.12	-39.27
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC(C2CC2)=N1	REAL300020174112	1	36	-1.0	-42.33	310.97	3.12	-39.21
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CC(CCC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174114	0	44	-1.0	-37.99	339.30	6.90	-31.09
CC(CCC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174114	1	44	-1.0	-37.99	339.34	6.91	-31.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=C(F)C=C1	REAL300020174115	0	32	-1.0	-40.09	287.40	5.35	-34.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=C(F)C=C1	REAL300020174115	1	32	-1.0	-40.07	287.44	5.35	-34.72
CNS(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174116	0	41	-1.0	-44.96	362.74	2.32	-42.64
CNS(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174116	1	41	-1.0	-44.91	362.79	2.34	-42.57
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174117	0	37	-1.0	-41.97	339.75	8.15	-33.82
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174117	1	37	-1.0	-42.11	338.66	8.13	-33.98
CC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1C	REAL300020174118	0	37	-1.0	-44.60	308.67	3.66	-40.94
CC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1C	REAL300020174118	1	37	-1.0	-44.60	308.72	3.66	-40.94
CC1=CC(Br)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174119	0	33	-1.0	-40.68	304.20	6.76	-33.92
CC1=CC(Br)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174119	1	33	-1.0	-40.64	304.25	6.76	-33.88
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020174120	0	38	-1.0	-38.86	334.56	7.36	-31.50
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020174120	1	38	-1.0	-38.86	334.61	7.36	-31.50
CN1N=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020174121	0	35	-1.0	-41.48	304.56	4.07	-37.41
CN1N=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020174121	1	35	-1.0	-41.48	304.51	4.06	-37.42
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300020174122	0	40	-1.0	-58.91	351.80	8.04	-50.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300020174122	1	40	-1.0	-58.96	351.76	8.03	-50.93
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174123	0	41	-1.0	-40.18	360.04	7.92	-32.26
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174123	1	41	-1.0	-40.17	360.09	7.92	-32.25
CC1(C)CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCO1	REAL300020174124	0	43	-1.0	-38.57	330.78	5.16	-33.41
CC1(C)CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCO1	REAL300020174124	1	43	-1.0	-38.57	330.82	5.16	-33.41
O=C(CC1=CC(Cl)=CC2=C1OCC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174125	0	38	-1.0	-42.28	337.67	6.49	-35.79
O=C(CC1=CC(Cl)=CC2=C1OCC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174125	1	38	-1.0	-42.27	337.71	6.49	-35.78
COC1=CC=C(C(=O)CC(C)(C)CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174126	0	51	-1.0	-43.63	400.95	7.92	-35.71
COC1=CC=C(C(=O)CC(C)(C)CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174126	1	51	-1.0	-43.64	400.99	7.93	-35.71
CC1CCN(C(=O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020174127	0	40	-1.0	-43.90	320.87	4.46	-39.44
CC1CCN(C(=O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020174127	1	40	-1.0	-43.86	320.92	4.46	-39.40
CC1CCCN(C(=O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020174128	0	40	-1.0	-43.49	319.48	4.35	-39.14
CC1CCCN(C(=O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174128	1	40	-1.0	-43.47	319.53	4.35	-39.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(C2CCOCC2)=N1	REAL300020174129	0	40	-1.0	-44.64	336.37	1.66	-42.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(C2CCOCC2)=N1	REAL300020174129	1	40	-1.0	-44.59	336.42	1.66	-42.93
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174130	0	41	-2.0	-108.04	363.04	2.88	-105.16
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174130	1	41	-2.0	-107.92	363.09	2.88	-105.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2CCCC2)N=C1	REAL300020174131	0	43	-1.0	-40.22	354.47	5.37	-34.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2CCCC2)N=C1	REAL300020174131	1	43	-1.0	-40.22	354.43	5.37	-34.85
NC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174132	0	33	-1.0	-41.82	295.70	0.59	-41.23
NC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174132	1	33	-1.0	-41.79	295.66	0.60	-41.19
COC1=CC=C(C(=O)CCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174133	0	48	-1.0	-44.80	400.06	7.67	-37.13
COC1=CC=C(C(=O)CCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174133	1	48	-1.0	-44.76	400.11	7.67	-37.09
CC(C)S(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174134	0	45	-1.0	-46.01	385.68	5.16	-40.85
CC(C)S(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174134	1	45	-1.0	-45.94	385.73	5.17	-40.77
CC1=CC(Cl)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020174135	0	36	-1.0	-41.12	313.07	7.22	-33.90
CC1=CC(Cl)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020174135	1	36	-1.0	-41.11	313.11	7.21	-33.90
CC1=CC=C(F)C=C1C(=O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174136	0	35	-1.0	-41.82	303.59	6.04	-35.78
CC1=CC=C(F)C=C1C(=O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174136	1	35	-1.0	-42.23	304.49	6.06	-36.17
CC(C)C1CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCO1	REAL300020174137	0	46	-1.0	-37.76	356.03	6.16	-31.60
CC(C)C1CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCO1	REAL300020174137	1	46	-1.0	-37.74	356.07	6.16	-31.58
CC1=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CO1	REAL300020174138	0	37	-1.0	-42.09	322.14	2.75	-39.34
CC1=C(C(=O)NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CO1	REAL300020174138	1	37	-1.0	-42.03	322.18	2.76	-39.27
CCOC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CO1	REAL300020174139	0	33	-1.0	-47.01	294.34	0.01	-47.00
CCOC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CO1	REAL300020174139	1	33	-1.0	-47.02	294.30	0.01	-47.01
O=C(CSC1=NN=C2C=CC=CN21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174140	0	36	-1.0	-49.52	330.00	7.13	-42.39
O=C(CSC1=NN=C2C=CC=CN21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174140	1	36	-1.0	-49.57	329.95	7.12	-42.45
CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)S2)O1	REAL300020174141	0	37	-1.0	-42.19	338.14	7.22	-34.97
CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)O1	REAL300020174141	1	37	-1.0	-42.14	338.18	7.22	-34.92
CCC1=NN=C(C)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174142	0	37	-1.0	-37.06	308.22	4.55	-32.51
CCC1=NN=C(C)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174142	1	37	-1.0	-37.04	308.27	4.56	-32.48
CCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N=N1	REAL300020174143	0	37	-1.0	-36.48	310.35	4.65	-31.83
CCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N=N1	REAL300020174143	1	37	-1.0	-36.50	310.39	4.65	-31.85
CC1(CN2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=N2)COC1	REAL300020174145	0	40	-1.0	-50.42	337.64	2.53	-47.89
CC1(CN2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=N2)COC1	REAL300020174145	1	40	-1.0	-50.40	337.60	2.52	-47.88
N#CC1CC2(C1)CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020174146	0	38	-1.0	-45.82	320.23	6.58	-39.24
N#CC1CC2(C1)CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020174146	1	38	-1.0	-45.79	320.27	6.58	-39.21
COC1=CC2=C(C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)OCO2	REAL300020174147	0	37	-1.0	-44.89	314.81	4.60	-40.29
COC1=CC2=C(C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)OCO2	REAL300020174147	1	37	-1.0	-44.86	314.86	4.60	-40.26
CCC1CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCO1	REAL300020174148	0	43	-1.0	-37.87	338.99	5.62	-32.25
CCC1CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCO1	REAL300020174148	1	43	-1.0	-37.86	339.04	5.63	-32.23
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1N1C=NN=N1	REAL300020174149	0	39	-1.0	-41.82	336.86	5.20	-36.62
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1N1C=NN=N1	REAL300020174149	1	39	-1.0	-41.89	336.82	5.20	-36.69
O=C(C=CC1=CC=C(O)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174150	0	35	-1.0	-41.60	307.00	3.84	-37.76
O=C(C=CC1=CC=C(O)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174150	1	35	-1.0	-41.56	307.05	3.84	-37.72
CC(C)(C)C(Br)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174151	0	35	-1.0	-36.32	295.98	5.36	-30.96
CC(C)(C)C(Br)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174151	1	35	-1.0	-36.29	296.03	5.36	-30.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020174152	0	32	-2.0	-85.83	293.88	5.20	-80.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020174152	1	32	-2.0	-85.80	293.93	5.20	-80.60
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1O	REAL300020174153	0	35	-1.0	-41.17	301.68	2.62	-38.55
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1O	REAL300020174153	1	35	-1.0	-41.12	301.72	2.64	-38.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C([O-])=C1F	REAL300020174154	0	30	-2.0	-88.84	285.78	3.60	-85.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C([O-])=C1F	REAL300020174154	1	30	-2.0	-88.81	285.83	3.61	-85.20
O=C(CCC1=CC=C(O)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174155	0	37	-1.0	-40.41	318.55	4.11	-36.30
O=C(CCC1=CC=C(O)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174155	1	37	-1.0	-40.44	318.59	4.12	-36.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(O)C(C2=CC=CC=C2)=C1	REAL300020174156	0	41	-1.0	-41.56	350.08	6.38	-35.18
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(O)C(C2=CC=CC=C2)=C1	REAL300020174156	1	41	-1.0	-41.00	351.13	6.41	-34.59
O=C(CNC(=O)CC1=CC=C(O)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174157	0	41	-1.0	-44.82	356.14	1.81	-43.01
O=C(CNC(=O)CC1=CC=C(O)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174157	1	41	-1.0	-44.79	356.18	1.81	-42.98
CC1=CC=C(C(=O)NCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(O)=C1	REAL300020174158	0	44	-1.0	-46.46	372.83	3.80	-42.66
CC1=CC=C(C(=O)NCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(O)=C1	REAL300020174158	1	44	-1.0	-46.44	372.88	3.81	-42.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NNN=C21	REAL300020174159	0	32	-1.0	-43.59	282.12	2.81	-40.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=NNN=C21	REAL300020174159	1	32	-1.0	-43.61	282.16	2.81	-40.80
O=C(CCCC1=CC=C(O)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174160	0	40	-1.0	-41.17	340.07	4.90	-36.27
O=C(CCCC1=CC=C(O)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174160	1	40	-1.0	-41.16	340.11	4.90	-36.26
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C([O-])C(F)=C1	REAL300020174161	0	30	-2.0	-91.21	281.36	3.56	-87.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C([O-])C(F)=C1	REAL300020174161	1	30	-2.0	-91.15	281.41	3.57	-87.58
CCCCC(ON=C(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174162	0	45	-1.0	-42.62	369.88	7.52	-35.10
CCCCC(ON=C(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174162	1	45	-1.0	-42.58	369.93	7.53	-35.05
CN(C)C1=NC2=CC=CC=C2C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174163	0	43	-1.0	-41.66	352.94	7.40	-34.26
CN(C)C1=NC2=CC=CC=C2C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174163	1	43	-1.0	-40.69	351.21	7.39	-33.30
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1CCCCC1	REAL300020174164	0	46	-1.0	-43.70	366.13	7.17	-36.53
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1CCCCC1	REAL300020174164	1	46	-1.0	-43.64	366.16	7.17	-36.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)NC(Cl)=C1	REAL300020174165	0	30	-1.0	-37.45	283.25	2.80	-34.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)NC(Cl)=C1	REAL300020174165	1	30	-1.0	-37.39	283.30	2.80	-34.59
COC1=CC=C(CC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020174166	0	47	-1.0	-41.79	381.44	6.62	-35.17
COC1=CC=C(CC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020174166	1	47	-1.0	-41.76	381.48	6.62	-35.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1	REAL300020174167	0	40	-1.0	-50.60	351.39	6.97	-43.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1	REAL300020174167	1	40	-1.0	-50.63	351.44	6.97	-43.66
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(OC)=C1C(C)C	REAL300020174168	0	47	-1.0	-39.50	373.95	6.50	-33.00
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(OC)=C1C(C)C	REAL300020174168	1	47	-1.0	-39.48	374.00	6.49	-32.99
O=C(CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174169	0	40	-1.0	-47.97	354.06	7.99	-39.98
O=C(CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174169	1	40	-1.0	-47.97	354.12	8.00	-39.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NC=CN=C2N=C1	REAL300020174170	0	33	-1.0	-46.68	292.71	2.98	-43.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NC=CN=C2N=C1	REAL300020174170	1	33	-1.0	-46.71	292.66	2.98	-43.73
CN1C=NC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=N1	REAL300020174171	0	39	-1.0	-47.11	338.61	7.58	-39.53
CN1C=NC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=N1	REAL300020174171	1	39	-1.0	-47.12	338.56	7.58	-39.54
CC(O)(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020174172	0	40	-1.0	-39.75	327.60	5.06	-34.69
CC(O)(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020174172	1	40	-1.0	-39.72	327.64	5.06	-34.66
CN1N=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Br	REAL300020174173	0	30	-1.0	-40.34	284.06	3.68	-36.66
CN1N=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Br	REAL300020174173	1	30	-1.0	-40.36	284.02	3.68	-36.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=N1)OCCC2	REAL300020174174	0	37	-1.0	-46.17	311.39	4.38	-41.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=N1)OCCC2	REAL300020174174	1	37	-1.0	-46.13	311.43	4.39	-41.74
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174175	0	52	0.0	-66.95	416.61	10.98	-55.97
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174175	1	52	0.0	-66.53	416.50	10.98	-55.55
CN(CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174175	1	51	-1.0	-43.06	414.60	8.64	-34.42
CC(C)(C)OC(=O)NC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CC1	REAL300020174176	0	50	-1.0	-41.66	396.94	5.53	-36.13
CC(C)(C)OC(=O)NC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CC1	REAL300020174176	1	50	-1.0	-41.71	396.99	5.53	-36.18
CN1C=C(C2=CC=C(F)C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)C=N1	REAL300020174177	0	40	-1.0	-51.53	346.14	6.86	-44.67
CN1C=C(C2=CC=C(F)C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)C=N1	REAL300020174177	1	40	-1.0	-51.57	346.10	6.86	-44.71
CC1=CC(Br)=C2OC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C1	REAL300020174178	0	36	-1.0	-45.96	335.40	7.15	-38.81
CC1=CC(Br)=C2OC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C1	REAL300020174178	1	36	-1.0	-45.86	334.43	7.16	-38.70
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=C(F)C(F)=C2)=N1	REAL300020174179	0	36	-1.0	-50.41	341.52	6.41	-44.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=C(F)C(F)=C2)=N1	REAL300020174179	1	36	-1.0	-50.43	341.48	6.41	-44.02
CC(C)(C)OC(=O)NCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174180	0	49	-1.0	-42.64	395.65	4.50	-38.14
CC(C)(C)OC(=O)NCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174180	1	49	-1.0	-42.66	395.69	4.50	-38.16
CCC1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCO1	REAL300020174181	0	40	-1.0	-37.79	319.64	4.87	-32.92
CCC1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCO1	REAL300020174181	1	40	-1.0	-37.80	319.69	4.87	-32.93
CC(C)CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020174182	0	39	-1.0	-43.14	329.40	5.62	-37.52
CC(C)CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020174182	1	39	-1.0	-43.19	329.36	5.62	-37.57
O=C(COCCNC(=O)C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174183	0	44	-1.0	-44.54	377.13	4.93	-39.61
O=C(COCCNC(=O)C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174183	1	44	-1.0	-44.51	377.18	4.94	-39.57
CC1=NN(C(C)(C)C)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174184	0	42	-1.0	-40.17	344.51	5.83	-34.34
CC1=NN(C(C)(C)C)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174184	1	42	-1.0	-40.17	344.56	5.84	-34.33
CC(C)OC1=CN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020174185	0	38	-1.0	-41.64	327.74	2.24	-39.40
CC(C)OC1=CN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020174185	1	38	-1.0	-41.67	327.69	2.24	-39.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1	REAL300020174186	0	36	-1.0	-39.69	326.63	6.50	-33.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1	REAL300020174186	1	36	-1.0	-39.63	326.68	6.50	-33.13
COCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=N1	REAL300020174187	0	40	-1.0	-39.50	339.83	3.74	-35.76
COCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=N1	REAL300020174187	1	40	-1.0	-39.48	339.87	3.75	-35.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020174188	0	32	-2.0	-91.13	294.93	5.58	-85.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020174188	1	32	-2.0	-91.10	294.98	5.59	-85.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(SC2=CC=C(Cl)C=C2)O1	REAL300020174189	0	38	-1.0	-42.86	361.73	8.18	-34.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(SC2=CC=C(Cl)C=C2)O1	REAL300020174189	1	38	-1.0	-42.80	361.40	8.14	-34.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCS1(=O)=O	REAL300020174190	0	36	-1.0	-49.29	307.71	1.78	-47.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCCS1(=O)=O	REAL300020174190	1	36	-1.0	-49.33	307.76	1.78	-47.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Br)=C1Cl	REAL300020174191	0	30	-1.0	-38.54	293.41	6.55	-31.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Br)=C1Cl	REAL300020174191	1	30	-1.0	-38.57	293.46	6.56	-32.01
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N(C)CC(F)(F)F	REAL300020174192	0	37	-1.0	-41.62	306.43	3.23	-38.39
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N(C)CC(F)(F)F	REAL300020174192	1	37	-1.0	-41.56	306.48	3.22	-38.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC2=NNN=C21	REAL300020174193	0	32	-1.0	-41.14	288.47	2.87	-38.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC2=NNN=C21	REAL300020174193	1	32	-1.0	-41.08	288.52	2.87	-38.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2CCCOC2=C1	REAL300020174194	0	35	-1.0	-46.74	300.27	2.32	-44.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2CCCOC2=C1	REAL300020174194	1	35	-1.0	-46.78	300.23	2.32	-44.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2=CC=CC=C2C1	REAL300020174195	0	37	-1.0	-39.33	307.45	7.19	-32.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2=CC=CC=C2C1	REAL300020174195	1	37	-1.0	-39.32	307.51	7.19	-32.13
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020174196	0	38	-1.0	-38.67	329.07	7.31	-31.36
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020174196	1	38	-1.0	-38.65	329.11	7.33	-31.32
COC1=CC=C2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020174197	0	41	-1.0	-44.62	336.54	6.49	-38.13
COC1=CC=C2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020174197	1	41	-1.0	-44.61	336.57	6.49	-38.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=C(F)C=C1F	REAL300020174198	0	30	-1.0	-37.28	293.02	6.23	-31.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=C(F)C=C1F	REAL300020174198	1	30	-1.0	-37.29	293.06	6.23	-31.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNN=C1[N+](=O)[O-]	REAL300020174199	0	29	-1.0	-40.94	267.19	4.37	-36.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNN=C1[N+](=O)[O-]	REAL300020174199	1	29	-1.0	-40.92	267.24	4.37	-36.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1(O)CCCC1	REAL300020174200	0	37	-1.0	-39.86	305.67	2.83	-37.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1(O)CCCC1	REAL300020174200	1	37	-1.0	-39.84	305.72	2.83	-37.01
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174201	0	35	-1.0	-40.02	331.95	7.84	-32.18
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174201	1	35	-1.0	-39.69	330.98	7.82	-31.87
CCN1C=C([N+](=O)[O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174202	0	35	-1.0	-50.10	312.27	5.61	-44.49
CCN1C=C([N+](=O)[O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174202	1	35	-1.0	-50.14	312.24	5.60	-44.54
CC1=CSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020174203	0	30	-1.0	-40.01	287.22	5.61	-34.40
CC1=CSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020174203	1	30	-1.0	-39.93	287.26	5.62	-34.31
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1CCOCC1	REAL300020174204	0	37	-1.0	-38.64	305.56	4.15	-34.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1CCOCC1	REAL300020174204	1	37	-1.0	-38.63	305.60	4.17	-34.46
COC1=CC(OC2CC2)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174205	0	42	-1.0	-43.25	348.24	6.86	-36.39
COC1=CC(OC2CC2)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174205	1	42	-1.0	-43.26	348.29	6.86	-36.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CCC2)C=C1	REAL300020174206	0	40	-1.0	-40.73	327.21	8.08	-32.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CCC2)C=C1	REAL300020174206	1	40	-1.0	-40.75	327.25	8.08	-32.67
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1=NC=CS1	REAL300020174207	0	29	-1.0	-44.18	281.05	3.61	-40.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1=NC=CS1	REAL300020174207	1	29	-1.0	-44.16	281.01	3.60	-40.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CS1	REAL300020174208	0	27	-1.0	-37.48	270.51	5.01	-32.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CS1	REAL300020174208	1	27	-1.0	-37.44	270.55	5.01	-32.43
CN1N=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174209	0	30	-1.0	-35.37	278.07	3.96	-31.41
CN1N=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174209	1	30	-1.0	-35.38	278.01	3.96	-31.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(C(F)(F)F)C(F)=C1	REAL300020174210	0	33	-1.0	-35.15	309.18	6.54	-28.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(C(F)(F)F)C(F)=C1	REAL300020174210	1	33	-1.0	-35.09	309.23	6.54	-28.55
CC(C)CC1=CC=C([C@H](C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174211	0	48	-1.0	-39.34	381.98	9.34	-30.00
CC(C)CC1=CC=C([C@H](C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174211	1	48	-1.0	-39.38	382.02	9.35	-30.03
O=C(CC1=CC=C2NC(=O)NC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174212	0	37	-1.0	-42.93	320.92	2.95	-39.98
O=C(CC1=CC=C2NC(=O)NC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174212	1	37	-1.0	-42.92	320.96	2.96	-39.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Br)=C1F	REAL300020174213	0	30	-1.0	-40.09	286.65	6.16	-33.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Br)=C1F	REAL300020174213	1	30	-1.0	-40.05	286.69	6.16	-33.89
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(Cl)S1	REAL300020174214	0	29	-1.0	-45.26	281.91	3.77	-41.49
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(Cl)S1	REAL300020174214	1	29	-1.0	-45.26	281.86	3.77	-41.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1(O)CCCCC1	REAL300020174215	0	40	-1.0	-39.02	319.32	4.52	-34.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1(O)CCCCC1	REAL300020174215	1	40	-1.0	-39.03	319.38	4.53	-34.50
COCCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174216	0	44	-1.0	-42.55	371.12	5.65	-36.90
COCCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174216	1	44	-1.0	-42.45	371.17	5.66	-36.79
CC(=O)NCC1CCN2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C1	REAL300020174217	0	47	-1.0	-50.88	385.10	3.96	-46.92
CC(=O)NCC1CCN2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C1	REAL300020174217	1	47	-1.0	-50.85	385.15	3.96	-46.89
C[NH+](C)C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020174218	0	45	0.0	-55.23	351.32	7.89	-47.34
C[NH+](C)C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020174218	1	45	0.0	-55.19	351.39	7.90	-47.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=C(Cl)S1	REAL300020174219	0	29	-1.0	-40.52	289.65	4.97	-35.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=C(Cl)S1	REAL300020174219	1	29	-1.0	-40.66	290.71	4.99	-35.67
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(OCC2=CC=CC=C2)C=N1	REAL300020174220	0	42	-1.0	-42.32	367.52	4.37	-37.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(OCC2=CC=CC=C2)C=N1	REAL300020174220	1	42	-1.0	-42.31	367.47	4.37	-37.94
CC1=C(Br)C=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174221	0	36	-1.0	-39.13	319.96	7.13	-32.00
CC1=C(Br)C=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174221	1	36	-1.0	-39.15	320.00	7.13	-32.02
CCC1=NN(C)C(CC)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174222	0	45	-1.0	-42.56	369.98	6.37	-36.19
CCC1=NN(C)C(CC)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174222	1	45	-1.0	-42.58	370.02	6.37	-36.21
CCOC1=C(Cl)C=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174223	0	40	-1.0	-42.49	352.82	7.00	-35.49
CCOC1=C(Cl)C=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174223	1	40	-1.0	-42.48	352.86	7.01	-35.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=NNC=C2)S1	REAL300020174224	0	34	-1.0	-43.82	315.49	4.71	-39.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=NNC=C2)S1	REAL300020174224	1	34	-1.0	-43.81	315.53	4.71	-39.10
CC1=CN2C=CN=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=N1	REAL300020174225	0	35	-1.0	-53.02	307.23	5.06	-47.96
CC1=CN2C=CN=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=N1	REAL300020174225	1	35	-1.0	-53.04	307.27	5.08	-47.96
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174226	0	37	-1.0	-38.26	330.18	7.15	-31.11
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174226	1	37	-1.0	-38.12	329.40	7.14	-30.98
O=C(CCOCC(F)(F)C(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174227	0	36	-1.0	-38.66	331.56	4.80	-33.86
O=C(CCOCC(F)(F)C(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174227	1	36	-1.0	-38.73	331.61	4.81	-33.92
COC1=CC=CC(C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=C1	REAL300020174228	0	46	-1.0	-46.09	387.38	8.02	-38.07
COC1=CC=CC(C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=C1	REAL300020174228	1	46	-1.0	-46.11	387.44	8.03	-38.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(Br)=CN=C2N=C1	REAL300020174229	0	34	-1.0	-43.02	319.10	5.53	-37.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(Br)=CN=C2N=C1	REAL300020174229	1	34	-1.0	-43.00	319.05	5.53	-37.47
CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(O)=C1	REAL300020174230	0	37	-1.0	-42.60	313.22	5.34	-37.26
CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(O)=C1	REAL300020174230	1	37	-1.0	-42.59	313.26	5.33	-37.26
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1	REAL300020174231	0	42	-1.0	-47.61	358.89	7.46	-40.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1	REAL300020174231	1	42	-1.0	-47.64	358.93	7.47	-40.17
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CO1	REAL300020174232	0	47	-1.0	-40.64	393.30	4.07	-36.57
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CO1	REAL300020174232	1	47	-1.0	-40.62	393.35	4.09	-36.53
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020174233	0	51	-1.0	-45.30	405.27	6.84	-38.46
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174233	1	51	-1.0	-45.31	405.30	6.84	-38.47
CCC(=O)C1=CC=C(OCCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174234	0	51	-1.0	-43.49	421.92	8.63	-34.86
CCC(=O)C1=CC=C(OCCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174234	1	51	-1.0	-43.45	421.96	8.64	-34.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(Cl)=N1	REAL300020174235	0	28	-1.0	-41.60	270.44	2.32	-39.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(Cl)=N1	REAL300020174235	1	28	-1.0	-41.57	270.39	2.31	-39.26
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC(F)(F)F)N=C1	REAL300020174236	0	33	-1.0	-44.92	305.96	4.58	-40.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC(F)(F)F)N=C1	REAL300020174236	1	33	-1.0	-44.92	305.92	4.58	-40.34
CC(OC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300020174237	0	47	-1.0	-42.07	391.41	9.47	-32.60
CC(OC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300020174237	1	47	-1.0	-42.09	391.45	9.48	-32.61
CC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020174238	0	40	-1.0	-44.58	328.05	5.23	-39.35
CC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020174238	1	40	-1.0	-44.51	328.15	5.23	-39.28
CC(=O)NC1=CC=C(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174239	0	40	-1.0	-42.24	333.17	5.07	-37.17
CC(=O)NC1=CC=C(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174239	1	40	-1.0	-42.29	333.22	5.07	-37.22
CC(C)(C)OC(=O)NCCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174240	0	52	-1.0	-42.61	417.14	5.29	-37.32
CC(C)(C)OC(=O)NCCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174240	1	52	-1.0	-42.58	417.19	5.28	-37.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(Cl)=C1	REAL300020174241	0	27	-1.0	-37.40	268.87	5.01	-32.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(Cl)=C1	REAL300020174241	1	27	-1.0	-37.39	268.91	5.01	-32.38
CC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020174242	0	39	-1.0	-38.05	335.30	7.82	-30.23
CC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020174242	1	39	-1.0	-38.06	335.35	7.83	-30.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(N2CCNC(=O)C2)=CC=N1	REAL300020174243	0	42	-1.0	-53.31	342.71	0.45	-52.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(N2CCNC(=O)C2)=CC=N1	REAL300020174243	1	42	-1.0	-53.36	342.65	0.45	-52.91
CCCN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020174244	0	43	-1.0	-42.63	355.50	8.67	-33.96
CCCN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020174244	1	43	-1.0	-42.67	355.57	8.66	-34.01
O=C(CC1CCC2(CC1)OCCO2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174245	0	45	-1.0	-39.79	351.45	5.30	-34.49
O=C(CC1CCC2(CC1)OCCO2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174245	1	45	-1.0	-39.78	351.49	5.31	-34.47
COC1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020174246	0	40	-1.0	-41.95	311.99	4.54	-37.41
COC1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020174246	1	40	-1.0	-41.96	312.04	4.55	-37.41
CC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NN2)C=C1C	REAL300020174247	0	43	-1.0	-45.31	361.05	6.64	-38.67
CC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NN2)C=C1C	REAL300020174247	1	43	-1.0	-45.33	361.09	6.65	-38.68
CCCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020174248	0	39	-1.0	-37.85	338.43	8.06	-29.79
CCCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020174248	1	39	-1.0	-37.83	338.47	8.06	-29.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC=C(F)C1=O	REAL300020174249	0	30	-1.0	-67.90	270.06	3.50	-64.40
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC=C(F)C1=O	REAL300020174249	1	30	-1.0	-67.90	270.13	3.51	-64.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=N1	REAL300020174250	0	36	-1.0	-46.52	335.56	5.70	-40.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC(Cl)=C2)N=N1	REAL300020174250	1	36	-1.0	-46.55	335.51	5.70	-40.85
CC1=CC2=C(Br)C=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2O1	REAL300020174251	0	36	-1.0	-42.07	331.42	7.79	-34.28
CC1=CC2=C(Br)C=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2O1	REAL300020174251	1	36	-1.0	-42.07	331.47	7.79	-34.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(=O)C2=CC=CC(O)=C2)C=C1	REAL300020174252	0	43	-1.0	-40.61	369.57	5.88	-34.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(=O)C2=CC=CC(O)=C2)C=C1	REAL300020174252	1	43	-1.0	-40.59	369.63	5.88	-34.71
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC(=O)C2=CC=CC=C12	REAL300020174253	0	36	-1.0	-39.88	306.87	4.68	-35.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC(=O)C2=CC=CC=C12	REAL300020174253	1	36	-1.0	-39.88	306.98	4.69	-35.19
COC1=CC=C(SCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174254	0	44	-1.0	-40.59	377.31	7.49	-33.10
COC1=CC=C(SCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174254	1	44	-1.0	-40.58	377.36	7.49	-33.09
CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL300020174255	0	41	-1.0	-46.22	339.54	0.18	-46.04
CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL300020174255	1	41	-1.0	-46.19	339.59	0.19	-46.00
COC1=CC=CC(CC(O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174256	0	41	-1.0	-43.18	346.50	4.07	-39.11
COC1=CC=CC(CC(O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174256	1	41	-1.0	-43.16	346.54	4.07	-39.09
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174257	0	35	-1.0	-39.22	334.73	5.95	-33.27
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174257	1	35	-1.0	-39.20	334.77	5.95	-33.25
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174258	0	44	-1.0	-44.60	356.71	5.54	-39.06
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174258	1	44	-1.0	-44.58	356.76	5.54	-39.04
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CC1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCN1C(=O)OC(C)(C)C	REAL300020174259	1	50	-1.0	-43.89	387.40	6.06	-37.83
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NC(=O)C1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020174261	0	40	-1.0	-45.95	322.27	2.36	-43.59
NC(=O)C1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174261	1	40	-1.0	-45.97	322.31	2.37	-43.60
CCC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174262	0	39	-1.0	-39.33	320.86	7.27	-32.06
CCC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174262	1	39	-1.0	-39.30	320.91	7.28	-32.02
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174263	0	40	-1.0	-54.00	349.19	7.44	-46.56
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174263	1	40	-1.0	-54.00	349.14	7.44	-46.56
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O=C(CCCC1=CC=C(O)C(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174264	1	40	-1.0	-42.64	346.32	4.98	-37.66
CC1=CC=C(Br)N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174265	0	32	-1.0	-46.12	295.19	4.94	-41.18
CC1=CC=C(Br)N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174265	1	32	-1.0	-46.12	295.13	4.94	-41.18
COC(=O)C1=CC(O)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174266	0	37	-1.0	-41.88	327.28	3.28	-38.60
COC(=O)C1=CC(O)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174266	1	37	-1.0	-41.91	327.32	3.28	-38.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC2=C1CCCCC2	REAL300020174267	0	39	-1.0	-46.03	314.92	5.93	-40.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC2=C1CCCCC2	REAL300020174267	1	39	-1.0	-46.04	314.97	5.94	-40.10
CC(=O)[C@@H]1C[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1(C)C	REAL300020174268	0	41	-1.0	-43.70	325.02	6.08	-37.62
CC(=O)[C@@H]1C[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1(C)C	REAL300020174268	1	41	-1.0	-43.73	325.09	6.10	-37.63
COC1=CC(C)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174269	0	37	-1.0	-44.96	310.22	6.59	-38.37
COC1=CC(C)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174269	1	37	-1.0	-44.95	310.26	6.58	-38.37
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=NC=C1Cl	REAL300020174270	0	29	-1.0	-36.80	286.30	4.64	-32.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=NC=C1Cl	REAL300020174270	1	29	-1.0	-36.79	286.26	4.64	-32.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(F)=C1F	REAL300020174271	0	29	-1.0	-37.08	267.68	3.72	-33.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(F)=C1F	REAL300020174271	1	29	-1.0	-37.11	267.63	3.71	-33.40
CC(=O)CC(C)(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174272	0	40	-1.0	-42.08	314.74	5.66	-36.42
CC(=O)CC(C)(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174272	1	40	-1.0	-42.06	314.79	5.66	-36.40
N#CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[O-]	REAL300020174273	0	31	-2.0	-87.98	289.08	3.83	-84.15
N#CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[O-]	REAL300020174273	1	31	-2.0	-87.97	289.13	3.84	-84.13
N#CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1O	REAL300020174273	1	32	-1.0	-39.25	292.64	3.06	-36.19
N#CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1O	REAL300020174273	1	32	-1.0	-39.18	292.69	3.06	-36.12
COC1=CC=C(OC)C(C2CC2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174274	0	45	-1.0	-44.26	370.90	6.12	-38.14
COC1=CC=C(OC)C(C2CC2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174274	1	45	-1.0	-44.15	370.94	6.12	-38.03
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CN=C1Br	REAL300020174275	0	33	-1.0	-39.20	306.77	3.57	-35.63
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN=C1Br	REAL300020174275	1	33	-1.0	-39.17	305.71	3.54	-35.63
COCCN1N=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174276	0	37	-1.0	-40.80	307.79	3.65	-37.15
COCCN1N=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174276	1	37	-1.0	-40.78	307.76	3.65	-37.13
CC(C)(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1=CC=C(Cl)C=C1	REAL300020174277	0	45	-1.0	-38.04	368.61	8.97	-29.07
CC(C)(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1=CC=C(Cl)C=C1	REAL300020174277	1	45	-1.0	-38.03	368.66	8.98	-29.05
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020174278	0	36	-1.0	-39.64	320.77	6.21	-33.43
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020174278	1	36	-1.0	-39.63	320.82	6.21	-33.42
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020174279	0	48	-1.0	-46.39	382.06	5.04	-41.35
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174279	1	48	-1.0	-46.36	382.10	5.04	-41.32
COC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020174280	0	41	-1.0	-44.64	356.39	6.00	-38.64
COC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020174280	1	41	-1.0	-44.66	356.35	6.00	-38.66
CC1=CC2=C(C=C1C)C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CO2	REAL300020174281	0	41	-1.0	-41.23	338.30	6.37	-34.86
CC1=CC2=C(C=C1C)C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CO2	REAL300020174281	1	41	-1.0	-41.25	338.34	6.38	-34.87
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)F)C=N1	REAL300020174282	0	33	-1.0	-48.13	297.02	3.27	-44.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)F)C=N1	REAL300020174282	1	33	-1.0	-48.20	296.98	3.26	-44.94
CC1=C(Br)SC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174283	0	30	-1.0	-37.16	289.43	5.74	-31.42
CC1=C(Br)SC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174283	1	30	-1.0	-37.13	289.47	5.75	-31.38
CCOC(=O)CON=C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC=C1	REAL300020174284	0	43	-1.0	-46.10	376.81	4.47	-41.63
CCOC(=O)CON=C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC=C1	REAL300020174284	1	43	-1.0	-46.19	377.87	4.51	-41.68
CCOC(=O)CON=C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1	REAL300020174284	1	43	-1.0	-39.75	375.00	4.47	-35.28
CCOC(=O)CON=C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1	REAL300020174284	1	43	-1.0	-39.73	375.05	4.47	-35.26
CN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300020174285	0	42	-1.0	-48.16	351.17	8.14	-40.02
CN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300020174285	1	42	-1.0	-48.19	351.10	8.14	-40.05
CC1CN(C2=CC=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)CC(C)O1	REAL300020174286	0	48	-1.0	-44.83	384.47	4.06	-40.77
CC1CN(C2=CC=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)CC(C)O1	REAL300020174286	1	48	-1.0	-44.87	384.42	4.05	-40.82
COC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC(=O)NC1=O	REAL300020174287	0	34	-1.0	-38.58	299.29	0.79	-37.79
COC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC(=O)NC1=O	REAL300020174287	1	34	-1.0	-38.54	299.35	0.81	-37.73
O=C(CC1=C2CCCCC2=NN1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174288	0	40	-1.0	-40.42	327.73	4.84	-35.58
O=C(CC1=C2CCCCC2=NN1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174288	1	40	-1.0	-40.37	327.77	4.84	-35.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(Cl)C(C2CC2)=C1	REAL300020174289	0	36	-1.0	-39.04	319.27	6.11	-32.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(Cl)C(C2CC2)=C1	REAL300020174289	1	36	-1.0	-39.14	320.23	6.14	-33.00
CC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N=C1C	REAL300020174290	0	40	-1.0	-35.45	330.13	5.43	-30.02
CC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N=C1C	REAL300020174290	1	40	-1.0	-35.47	330.17	5.43	-30.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(CC2=CC=CC=C2)C=C1	REAL300020174291	0	40	-1.0	-50.44	347.47	7.11	-43.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(CC2=CC=CC=C2)C=C1	REAL300020174291	1	40	-1.0	-50.46	347.42	7.10	-43.36
COCCN1C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174292	0	37	-1.0	-47.50	321.13	3.15	-44.35
COCCN1C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174292	1	37	-1.0	-47.68	322.10	3.17	-44.51
CC(C)(C)OC(=O)NCC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174293	0	50	-1.0	-42.98	409.40	5.93	-37.05
CC(C)(C)OC(=O)NCC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174293	1	50	-1.0	-42.90	409.44	5.93	-36.97
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C(O)C1=NC2=CC=CC=C2N1	REAL300020174294	0	41	-1.0	-46.50	350.36	0.68	-45.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C(O)C1=NC2=CC=CC=C2N1	REAL300020174294	1	41	-1.0	-44.83	351.42	0.72	-44.11
CNC(=O)CCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174295	0	39	-1.0	-45.04	328.74	3.06	-41.98
CNC(=O)CCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174295	1	39	-1.0	-45.03	328.79	3.06	-41.97
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1CCCCC1	REAL300020174296	0	40	-1.0	-38.46	312.09	4.62	-33.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1CCCCC1	REAL300020174296	1	40	-1.0	-38.54	312.25	4.64	-33.90
CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020174297	0	36	-1.0	-39.65	324.63	7.32	-32.33
CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Br	REAL300020174297	1	36	-1.0	-39.67	324.68	7.32	-32.35
O=C(CCCCN1CCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174298	0	45	-1.0	-39.42	357.45	3.21	-36.21
O=C(CCCCN1CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174298	1	45	-1.0	-39.45	357.49	3.23	-36.22
O=C(CCCC[NH+]1CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174298	1	46	0.0	-58.95	360.03	5.49	-53.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=NC=CN2N=C1	REAL300020174299	0	32	-1.0	-43.14	284.00	3.41	-39.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=NC=CN2N=C1	REAL300020174299	1	32	-1.0	-43.15	283.95	3.40	-39.75
CS(=O)C1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174300	0	38	-1.0	-44.17	333.21	4.57	-39.60
CS(=O)C1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174300	1	38	-1.0	-44.19	333.25	4.57	-39.62
CC(=O)CCC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174301	0	45	-1.0	-43.74	382.52	8.08	-35.66
CC(=O)CCC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174301	1	45	-1.0	-42.98	381.55	8.06	-34.92
COC1=CC=C(OC)C(NC(=O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174302	0	42	-1.0	-48.27	355.11	2.41	-45.86
COC1=CC=C(OC)C(NC(=O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174302	1	42	-1.0	-49.29	356.14	2.43	-46.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300020174303	0	33	-1.0	-38.93	305.75	6.54	-32.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300020174303	1	33	-1.0	-38.90	305.79	6.55	-32.35
CC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020174304	0	41	-1.0	-38.40	345.56	7.91	-30.49
CC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020174304	1	41	-1.0	-38.36	345.63	7.93	-30.43
O=C(CC1=CC=C(Br)C=C1O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174305	0	34	-1.0	-41.09	316.23	3.96	-37.13
O=C(CC1=CC=C(Br)C=C1O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174305	1	34	-1.0	-41.06	316.28	3.97	-37.09
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020174306	0	48	-1.0	-46.90	383.33	5.07	-41.83
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174306	1	48	-1.0	-46.86	383.37	5.08	-41.78
O=C(CC1=CC2=NNC=C2C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174307	0	36	-1.0	-46.25	311.38	4.85	-41.40
O=C(CC1=CC2=NNC=C2C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174307	1	36	-1.0	-46.24	311.43	4.85	-41.39
CC(O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174308	0	49	-1.0	-44.08	396.71	1.05	-43.03
CC(O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174308	1	49	-1.0	-43.99	396.76	1.04	-42.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C(F)(F)F)=N1	REAL300020174309	0	29	-1.0	-45.69	289.82	3.59	-42.10
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C(F)(F)F)=N1	REAL300020174309	1	29	-1.0	-45.71	289.77	3.59	-42.12
CC1=NC(C#N)=C(N2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2)O1	REAL300020174310	0	45	-1.0	-42.63	375.53	1.98	-40.65
CC1=NC(C#N)=C(N2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2)O1	REAL300020174310	1	45	-1.0	-46.12	376.54	2.02	-44.10
CN(C)C1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174311	0	44	-1.0	-40.34	359.04	7.35	-32.99
CN(C)C1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174311	1	44	-1.0	-40.28	359.09	7.36	-32.92
CN1N=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174312	0	32	-1.0	-34.36	288.09	5.15	-29.21
CN1N=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174312	1	32	-1.0	-34.40	288.07	5.14	-29.26
COC1=NC(C)=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174313	0	36	-1.0	-40.68	326.18	4.47	-36.21
COC1=NC(C)=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174313	1	36	-1.0	-40.66	326.22	4.47	-36.19
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174314	0	46	-1.0	-39.11	362.95	3.70	-35.41
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174314	1	46	-1.0	-39.13	362.99	3.71	-35.42
COCCOC1=CC=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174315	0	45	-1.0	-43.42	380.97	6.16	-37.26
COCCOC1=CC=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174315	1	45	-1.0	-43.11	380.00	6.14	-36.97
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174316	0	40	-1.0	-38.21	351.67	7.53	-30.68
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174316	1	40	-1.0	-38.14	351.72	7.53	-30.61
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C)C2=CC=CC=C12	REAL300020174317	0	43	-1.0	-41.42	357.19	8.47	-32.95
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C)C2=CC=CC=C12	REAL300020174317	1	43	-1.0	-41.39	357.24	8.47	-32.92
COC1=CC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020174318	0	37	-1.0	-42.37	322.06	6.00	-36.37
COC1=CC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020174318	1	37	-1.0	-42.39	322.31	6.00	-36.39
CCCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=N1	REAL300020174319	0	42	-1.0	-39.45	349.15	6.22	-33.23
CCCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=N1	REAL300020174319	1	42	-1.0	-39.45	349.20	6.23	-33.22
CN1N=C2C=CC=CC2=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174320	0	36	-1.0	-40.90	301.39	5.73	-35.17
CN1N=C2C=CC=CC2=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174320	1	36	-1.0	-40.99	301.47	5.71	-35.28
CCOC1=C2C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CNC2=CC=C1	REAL300020174321	0	44	-1.0	-46.99	367.01	6.44	-40.55
CCOC1=C2C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CNC2=CC=C1	REAL300020174321	1	44	-1.0	-46.95	367.05	6.44	-40.51
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC(CC2CC2)=N1	REAL300020174322	0	39	-1.0	-41.48	332.55	3.84	-37.64
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC(CC2CC2)=N1	REAL300020174322	1	39	-1.0	-41.41	332.59	3.84	-37.57
CCOC1CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020174323	0	40	-1.0	-40.06	329.25	5.17	-34.89
CCOC1CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174323	1	40	-1.0	-40.71	328.28	5.15	-35.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300020174324	0	32	-1.0	-51.35	292.50	4.05	-47.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300020174324	1	32	-1.0	-51.32	292.54	4.05	-47.27
CC(C)(C)C1=CN=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020174325	0	44	-1.0	-40.80	366.01	4.42	-36.38
CC(C)(C)C1=CN=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020174325	1	44	-1.0	-40.80	366.06	4.43	-36.37
O=C(CC1=CC=C(F)C=C1Br)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174326	0	33	-1.0	-39.41	309.73	6.71	-32.70
O=C(CC1=CC=C(F)C=C1Br)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174326	1	33	-1.0	-39.39	309.77	6.70	-32.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC2=C1CCCCC2	REAL300020174327	0	40	-1.0	-46.55	318.63	4.75	-41.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC2=C1CCCCC2	REAL300020174327	1	40	-1.0	-46.54	318.67	4.75	-41.79
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CC2CC2)=N1	REAL300020174328	0	39	-1.0	-39.68	340.70	6.27	-33.41
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CC2CC2)=N1	REAL300020174328	1	39	-1.0	-39.62	340.75	6.28	-33.34
CC1=C(C)C=C2C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=COC2=C1	REAL300020174329	0	39	-1.0	-42.18	329.19	7.04	-35.14
CC1=C(C)C=C2C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=COC2=C1	REAL300020174329	1	39	-1.0	-42.00	328.22	7.02	-34.98
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NC(C(F)(F)F)=N1	REAL300020174330	0	34	-1.0	-44.77	316.22	4.53	-40.24
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NC(C(F)(F)F)=N1	REAL300020174330	1	34	-1.0	-44.78	316.27	4.53	-40.25
COCC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174331	0	40	-1.0	-40.39	340.20	5.86	-34.53
COCC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174331	1	40	-1.0	-40.42	340.24	5.86	-34.56
COCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020174332	0	41	-1.0	-41.30	358.89	5.51	-35.79
COCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020174332	1	41	-1.0	-41.32	358.94	5.51	-35.81
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174333	0	42	-1.0	-40.76	367.75	8.73	-32.03
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174333	1	42	-1.0	-40.71	367.80	8.75	-31.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C=C(C(F)(F)F)N=C2C=C1	REAL300020174334	0	36	-1.0	-39.18	329.19	7.06	-32.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C=C(C(F)(F)F)N=C2C=C1	REAL300020174334	1	36	-1.0	-39.19	329.15	7.06	-32.13
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=CC=CC=C2C)=N1	REAL300020174335	0	42	-1.0	-41.95	361.70	7.38	-34.57
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=CC=CC=C2C)=N1	REAL300020174335	1	42	-1.0	-41.93	361.75	7.37	-34.56
COC1=NC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020174336	0	36	-1.0	-42.09	317.95	1.39	-40.70
COC1=NC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020174336	1	36	-1.0	-42.10	317.99	1.39	-40.71
CCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020174337	0	43	-1.0	-39.35	368.27	7.82	-31.53
CCCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020174337	1	43	-1.0	-39.35	368.32	7.81	-31.54
CC(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174338	0	42	-1.0	-44.69	361.30	4.51	-40.18
CC(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174338	1	42	-1.0	-44.70	361.36	4.52	-40.18
O=C(CCC1=CC=CC2=C1OCO2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174339	0	39	-1.0	-41.92	332.57	5.59	-36.33
O=C(CCC1=CC=CC2=C1OCO2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174339	1	39	-1.0	-41.90	332.61	5.60	-36.30
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020174340	0	40	-1.0	-46.02	353.09	1.58	-44.44
CN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020174340	1	40	-1.0	-45.99	353.04	1.58	-44.41
CNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020174341	0	37	-1.0	-46.03	334.15	-0.26	-46.29
CNS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020174341	1	37	-1.0	-46.05	334.10	-0.26	-46.31
CCSCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020174342	0	36	-1.0	-45.47	328.34	5.68	-39.79
CCSCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020174342	1	36	-1.0	-45.47	328.38	5.68	-39.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C(F)(F)F)N=C1	REAL300020174343	0	31	-1.0	-35.67	292.26	3.89	-31.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C(F)(F)F)N=C1	REAL300020174343	1	31	-1.0	-35.66	292.22	3.89	-31.77
CN(C)C1=NOC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174344	0	39	-1.0	-41.38	333.93	4.90	-36.48
CN(C)C1=NOC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174344	1	39	-1.0	-41.42	333.96	4.90	-36.52
CC(C)(C)OCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020174345	0	42	-1.0	-45.09	351.97	4.75	-40.34
CC(C)(C)OCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020174345	1	42	-1.0	-45.06	352.01	4.75	-40.31
C[C@H](OCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174346	0	40	-1.0	-41.27	340.07	7.14	-34.13
C[C@H](OCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174346	1	40	-1.0	-41.25	340.12	7.15	-34.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL300020174347	0	38	-1.0	-42.46	330.14	6.99	-35.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL300020174347	1	38	-1.0	-42.53	330.10	6.99	-35.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)NC(C2CC2)=C1	REAL300020174348	0	37	-1.0	-40.44	316.14	4.62	-35.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)NC(C2CC2)=C1	REAL300020174348	1	37	-1.0	-40.34	316.18	4.63	-35.71
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=N1	REAL300020174349	0	32	-1.0	-39.18	295.18	4.75	-34.43
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=N1	REAL300020174349	1	32	-1.0	-39.16	295.22	4.75	-34.41
N#CC1=CC(O)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174350	0	32	-1.0	-40.48	292.35	2.98	-37.50
N#CC1=CC(O)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174350	1	32	-1.0	-39.05	293.40	3.01	-36.04
N#CC1=CC([O-])=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174350	1	31	-2.0	-94.69	289.80	3.77	-90.92
N#CC1=CC([O-])=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174350	1	31	-2.0	-94.62	289.84	3.77	-90.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC12CCS(=O)(=O)CC2	REAL300020174351	0	40	-1.0	-49.72	335.45	2.96	-46.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC12CCS(=O)(=O)CC2	REAL300020174351	1	40	-1.0	-49.74	335.50	2.96	-46.78
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020174352	0	34	-1.0	-43.71	311.99	-1.46	-45.17
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020174352	1	34	-1.0	-43.77	311.95	-1.46	-45.23
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CN(C(=O)OC(C)(C)C)C1	REAL300020174353	0	50	-1.0	-43.35	399.14	6.07	-37.28
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CN(C(=O)OC(C)(C)C)C1	REAL300020174353	1	50	-1.0	-43.32	399.19	6.08	-37.24
O=C(CC1=CC=CC=C1CO)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174354	0	37	-1.0	-40.34	312.13	3.49	-36.85
O=C(CC1=CC=CC=C1CO)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174354	1	37	-1.0	-40.34	312.17	3.49	-36.85
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174355	0	46	-1.0	-40.52	381.74	10.38	-30.14
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174355	1	46	-1.0	-40.47	381.78	10.39	-30.08
O=C(CCCCCC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174356	0	45	-1.0	-39.82	378.45	9.38	-30.44
O=C(CCCCCC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174356	1	45	-1.0	-39.87	378.50	9.38	-30.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300020174357	0	33	-1.0	-36.52	315.92	6.97	-29.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300020174357	1	33	-1.0	-36.40	316.98	7.00	-29.40
CC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Br)=C1	REAL300020174358	0	39	-1.0	-39.00	345.14	8.08	-30.92
CC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Br)=C1	REAL300020174358	1	39	-1.0	-38.96	345.18	8.08	-30.88
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COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(OC)=C1Cl	REAL300020174360	0	38	-1.0	-40.65	335.26	5.86	-34.79
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(OC)=C1Cl	REAL300020174360	1	38	-1.0	-40.62	335.32	5.86	-34.76
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020174361	0	50	-1.0	-46.53	395.90	6.24	-40.29
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174361	1	50	-1.0	-46.53	395.95	6.24	-40.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)CC1=CC=CC(C(F)(F)F)=C1	REAL300020174362	0	40	-1.0	-38.09	355.32	5.72	-32.37
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)CC1=CC=CC(C(F)(F)F)=C1	REAL300020174362	1	40	-1.0	-36.72	356.31	5.76	-30.96
CC(C)(C)C1=NN=C2C=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN21	REAL300020174363	0	44	-1.0	-40.34	358.81	7.87	-32.47
CC(C)(C)C1=NN=C2C=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN21	REAL300020174363	1	44	-1.0	-40.32	358.76	7.85	-32.47
COC1=CC=C(F)C=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174364	0	37	-1.0	-41.35	319.85	5.55	-35.80
COC1=CC=C(F)C=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174364	1	37	-1.0	-41.34	319.89	5.55	-35.79
O=C(CCC(=O)C1=CC=CC=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174365	0	37	-1.0	-44.12	324.23	5.14	-38.98
O=C(CCC(=O)C1=CC=CC=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174365	1	37	-1.0	-44.13	324.28	5.15	-38.98
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O=C(CC1(CSC2=CC=CC=C2)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174366	1	44	-1.0	-42.89	373.19	9.31	-33.58
CC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174367	0	40	-1.0	-51.08	341.33	7.31	-43.77
CC1=CN(C2=CC=CC=C2)N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174367	1	40	-1.0	-51.08	341.29	7.31	-43.77
O=C(CCCCC(=O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174368	0	44	-1.0	-43.13	377.16	8.43	-34.70
O=C(CCCCC(=O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174368	1	44	-1.0	-43.12	377.20	8.43	-34.69
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174369	0	30	-2.0	-87.36	288.94	-0.30	-87.66
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174369	1	30	-2.0	-87.35	288.99	-0.30	-87.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=C(F)C=C(F)C=C2C1=O	REAL300020174370	0	36	-1.0	-54.92	319.70	5.89	-49.03
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC2=CC=NC=C21	REAL300020174371	0	34	-1.0	-38.60	292.81	4.06	-34.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC2=CC=NC=C21	REAL300020174371	1	34	-1.0	-38.58	292.77	4.05	-34.53
O=C(CCC1=CN=CC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174372	0	41	-1.0	-42.37	345.47	7.32	-35.05
O=C(CCC1=CN=CC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174372	1	41	-1.0	-42.41	345.43	7.31	-35.10
COC(=O)CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174373	0	39	-1.0	-45.75	338.45	6.92	-38.83
COC(=O)CC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174373	1	39	-1.0	-45.70	338.49	6.92	-38.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=NNC=N2)C=C1	REAL300020174374	0	36	-1.0	-45.67	316.53	6.35	-39.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=NNC=N2)C=C1	REAL300020174374	1	36	-1.0	-45.70	316.58	6.36	-39.34
COC1=CC2=CC=C([C@H](C)C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020174375	0	46	-1.0	-41.27	377.10	8.22	-33.05
COC1=CC2=CC=C([C@H](C)C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020174375	1	46	-1.0	-41.29	377.15	8.23	-33.06
CC(NC(=O)CC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174376	0	45	-1.0	-38.77	356.62	4.37	-34.40
CC(NC(=O)CC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174376	1	45	-1.0	-38.69	356.66	4.37	-34.32
CCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020174377	0	44	-1.0	-41.15	367.33	7.65	-33.50
CCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020174377	1	44	-1.0	-41.12	367.37	7.65	-33.47
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020174378	0	47	-1.0	-40.94	386.35	8.34	-32.60
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020174378	1	47	-1.0	-40.96	386.39	8.34	-32.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC=C1I	REAL300020174379	0	27	-1.0	-44.49	269.44	3.02	-41.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC=C1I	REAL300020174379	1	27	-1.0	-44.48	269.48	3.02	-41.46
O=C(CCC(=O)C1=CC=C(Cl)C=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174380	0	37	-1.0	-41.09	340.99	5.62	-35.47
O=C(CCC(=O)C1=CC=C(Cl)C=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174380	1	37	-1.0	-41.06	341.03	5.63	-35.43
CC1=NC=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174381	0	31	-1.0	-41.00	291.10	4.11	-36.89
CC1=NC=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174381	1	31	-1.0	-40.93	291.14	4.11	-36.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(C2CCCCC2)=N1	REAL300020174382	0	42	-1.0	-44.85	346.45	4.07	-40.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(C2CCCCC2)=N1	REAL300020174382	1	42	-1.0	-44.83	346.49	4.08	-40.75
NC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174383	0	34	-1.0	-48.12	299.85	4.35	-43.77
NC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174383	1	34	-1.0	-48.11	299.90	4.35	-43.76
O=C(CNC(=O)C1=CC=C(F)C=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174384	0	37	-1.0	-42.91	331.42	4.12	-38.79
O=C(CNC(=O)C1=CC=C(F)C=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174384	1	37	-1.0	-42.89	331.46	4.13	-38.76
O=C(CNC(=O)C1=CC=NC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174385	0	36	-1.0	-41.34	315.70	2.22	-39.12
O=C(CNC(=O)C1=CC=NC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174385	1	36	-1.0	-41.37	315.66	2.21	-39.16
CCOC1=CN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020174386	0	35	-1.0	-41.43	307.61	1.32	-40.11
CCOC1=CN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020174386	1	35	-1.0	-41.41	307.56	1.32	-40.09
N#CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020174387	0	31	-1.0	-36.08	297.67	6.28	-29.80
N#CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020174387	1	31	-1.0	-36.08	297.71	6.28	-29.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=CC(Cl)=C1F	REAL300020174388	0	29	-1.0	-43.92	278.66	4.31	-39.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=CC(Cl)=C1F	REAL300020174388	1	29	-1.0	-43.98	278.62	4.30	-39.68
O=C(CNC(=O)C1=CC=CC(O)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174389	0	38	-1.0	-44.04	331.50	1.12	-42.92
O=C(CNC(=O)C1=CC=CC(O)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174389	1	38	-1.0	-44.04	331.54	1.13	-42.91
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174390	0	37	-1.0	-39.29	333.29	4.11	-35.18
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174390	1	37	-1.0	-39.23	333.34	4.12	-35.11
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174391	0	37	-1.0	-39.83	333.16	4.09	-35.74
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174391	1	37	-1.0	-39.66	332.19	4.07	-35.59
O=C(CNC(=O)C1=CC2=C(CCC2)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174392	0	41	-1.0	-42.10	358.49	4.99	-37.11
O=C(CNC(=O)C1=CC2=C(CCC2)S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174392	1	41	-1.0	-42.03	358.54	5.00	-37.03
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174393	0	37	-1.0	-45.65	346.25	4.31	-41.34
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174393	1	37	-1.0	-45.63	346.29	4.32	-41.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(Cl)=N1	REAL300020174394	0	26	-1.0	-45.08	264.87	2.96	-42.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(Cl)=N1	REAL300020174394	1	26	-1.0	-45.07	264.82	2.96	-42.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(CC2CC2)=N1	REAL300020174395	0	36	-1.0	-45.54	315.60	3.12	-42.42
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(CC2CC2)=N1	REAL300020174395	1	36	-1.0	-45.48	315.65	3.13	-42.35
CN1CCC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020174396	0	39	-1.0	-41.29	322.21	5.34	-35.95
CN1CCC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020174396	1	39	-1.0	-41.32	322.26	5.33	-35.99
N#CC(=CC1=CC=C(O)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174397	0	36	-1.0	-48.03	321.15	3.91	-44.12
N#CC(=CC1=CC=C(O)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174397	1	36	-1.0	-48.83	322.40	3.94	-44.89
CCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN(C)C1=O	REAL300020174398	0	39	-1.0	-42.45	327.54	5.68	-36.77
CCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CN(C)C1=O	REAL300020174398	1	39	-1.0	-42.47	327.58	5.68	-36.79
CSCC(C)C(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020174399	0	50	-1.0	-41.41	400.75	6.83	-34.58
CSCC(C)C(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020174399	1	50	-1.0	-44.50	402.13	6.87	-37.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C(=S)NN=C2C=C1	REAL300020174400	0	33	-1.0	-39.11	305.38	6.46	-32.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C(=S)NN=C2C=C1	REAL300020174400	1	33	-1.0	-39.12	305.42	6.47	-32.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020174400	1	32	-2.0	-86.07	301.95	6.29	-79.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020174400	1	32	-2.0	-85.39	300.98	6.26	-79.13
N#CC1=CC=CC(N2C=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)=C1	REAL300020174401	0	38	-1.0	-57.79	342.75	7.00	-50.79
N#CC1=CC=CC(N2C=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)=C1	REAL300020174401	1	38	-1.0	-57.83	342.71	7.00	-50.83
CC1=C(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(Br)S1	REAL300020174402	0	33	-1.0	-42.34	316.22	6.31	-36.03
CC1=C(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(Br)S1	REAL300020174402	1	33	-1.0	-42.30	316.27	6.32	-35.98
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174403	0	46	-1.0	-41.81	385.30	6.27	-35.54
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174403	1	46	-1.0	-41.79	385.34	6.28	-35.51
O=C(CC1CC1(Cl)Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174404	0	30	-1.0	-37.79	288.49	5.72	-32.07
O=C(CC1CC1(Cl)Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174404	1	30	-1.0	-37.79	288.54	5.74	-32.05
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174405	0	40	-1.0	-48.97	347.75	7.38	-41.59
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174405	1	40	-1.0	-48.98	347.71	7.37	-41.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)C1=CC=C(C(F)(F)F)C=C1	REAL300020174406	0	36	-1.0	-36.13	328.69	7.18	-28.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)C1=CC=C(C(F)(F)F)C=C1	REAL300020174406	1	36	-1.0	-36.11	328.73	7.20	-28.91
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=N1)CCCC2	REAL300020174407	0	39	-1.0	-45.64	320.46	6.20	-39.44
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CCC(C)(C)C1CCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020174408	0	54	-1.0	-37.75	388.97	8.91	-28.84
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CC(C)(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC(=O)C1=CC=CC=C1	REAL300020174409	0	47	-1.0	-42.78	371.66	8.61	-34.17
CC(C)(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC(=O)C1=CC=CC=C1	REAL300020174409	1	47	-1.0	-42.84	371.71	8.61	-34.23
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174410	0	40	-1.0	-48.88	337.50	3.94	-44.94
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174410	1	40	-1.0	-51.79	338.56	3.98	-47.81
COC1=COC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300020174411	0	33	-1.0	-41.15	294.14	3.50	-37.65
COC1=COC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300020174411	1	33	-1.0	-41.17	294.18	3.50	-37.67
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=NC=C2N=C1	REAL300020174412	1	34	-1.0	-41.21	297.71	4.09	-37.12
CC1=CN2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC2=C1	REAL300020174413	0	37	-1.0	-40.72	315.68	7.80	-32.92
CC1=CN2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC2=C1	REAL300020174413	1	37	-1.0	-40.69	315.72	7.81	-32.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2OCCO2)S1	REAL300020174414	0	35	-1.0	-43.20	317.22	2.29	-40.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2OCCO2)S1	REAL300020174414	1	35	-1.0	-43.21	316.25	2.27	-40.94
CC(O)C1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020174415	0	33	-1.0	-40.24	302.07	0.80	-39.44
CC(O)C1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020174415	1	33	-1.0	-40.22	302.11	0.80	-39.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300020174416	0	39	-2.0	-95.51	354.49	5.50	-90.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300020174416	1	39	-2.0	-93.14	354.62	5.54	-87.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300020174416	1	39	-2.0	-95.45	354.54	5.50	-89.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300020174416	1	39	-2.0	-93.07	354.66	5.55	-87.52
CCCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=N1	REAL300020174417	0	41	-1.0	-39.17	334.37	6.41	-32.76
CCCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=N1	REAL300020174417	1	41	-1.0	-39.13	334.43	6.41	-32.72
CC(C)(C)C1=NN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020174418	0	37	-1.0	-45.88	327.01	4.07	-41.81
CC(C)(C)C1=NN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020174418	1	37	-1.0	-45.93	326.96	4.05	-41.88
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC(Br)=C2C=C1	REAL300020174419	1	36	-1.0	-42.25	325.97	8.25	-34.00
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020174420	0	39	-1.0	-37.50	340.60	7.68	-29.82
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020174420	1	39	-1.0	-37.47	340.65	7.69	-29.78
CC1=CC=C2OC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC2=C1	REAL300020174421	0	41	-1.0	-41.43	339.24	7.74	-33.69
CC1=CC=C2OC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CCC2=C1	REAL300020174421	1	41	-1.0	-41.45	339.28	7.75	-33.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1	REAL300020174422	0	38	-1.0	-42.69	359.51	7.82	-34.87
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CCN1N=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(C)N=C21	REAL300020174423	0	41	-1.0	-39.92	344.36	6.16	-33.76
CCN1N=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(C)N=C21	REAL300020174423	1	41	-1.0	-39.92	344.41	6.16	-33.76
COC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300020174424	0	36	-1.0	-39.72	314.45	7.00	-32.72
COC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300020174424	1	36	-1.0	-39.69	314.50	7.00	-32.69
CCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C2C(C(C)C)=NOC2=N1	REAL300020174425	0	46	-1.0	-41.40	383.09	5.02	-36.38
CCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C2C(C(C)C)=NOC2=N1	REAL300020174425	1	46	-1.0	-41.35	383.14	5.01	-36.34
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174426	0	43	-1.0	-39.41	351.49	8.72	-30.69
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174426	1	43	-1.0	-39.43	351.54	8.73	-30.70
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CC1=C(C#N)C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174428	0	34	-1.0	-38.56	294.78	6.36	-32.20
CC1=C(C#N)C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174428	1	34	-1.0	-38.52	294.83	6.35	-32.17
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CC1=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC=C2N1	REAL300020174431	0	36	-1.0	-51.10	308.67	5.11	-45.99
CC1=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC=C2N1	REAL300020174431	1	36	-1.0	-51.09	308.72	5.11	-45.98
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CCOC(=O)OC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174433	0	40	-1.0	-40.60	349.79	7.41	-33.19
CCOC(=O)OC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174433	1	40	-1.0	-40.65	349.83	7.41	-33.24
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C#N	REAL300020174434	0	34	-1.0	-38.61	301.45	6.37	-32.24
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C#N	REAL300020174434	1	34	-1.0	-38.73	300.49	6.35	-32.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL300020174435	0	40	-1.0	-44.08	347.49	6.62	-37.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL300020174435	1	40	-1.0	-44.08	347.45	6.62	-37.46
CN1N=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CN=C21	REAL300020174436	0	34	-1.0	-44.61	299.56	3.30	-41.31
CN1N=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CN=C21	REAL300020174436	1	34	-1.0	-44.65	299.52	3.30	-41.35
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C2C3CC4C5CC(C2C35)C41	REAL300020174438	1	43	-1.0	-39.18	320.32	7.70	-31.48
CC1=NN(C)C(Br)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174439	0	33	-1.0	-41.45	310.17	4.20	-37.25
CC1=NN(C)C(Br)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174439	1	33	-1.0	-41.40	310.21	4.20	-37.20
O=C(COC1=CSC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174440	0	31	-1.0	-40.01	285.86	4.92	-35.09
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CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174442	0	41	-1.0	-49.07	348.14	6.56	-42.51
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174442	1	41	-1.0	-49.06	348.18	6.56	-42.50
CC(C)N1N=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N	REAL300020174443	0	38	-1.0	-43.78	318.50	3.84	-39.94
CC(C)N1N=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N	REAL300020174443	1	38	-1.0	-43.84	318.46	3.83	-40.01
CCOC(CN1N=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N)OCC	REAL300020174444	0	49	-1.0	-44.66	401.97	3.91	-40.75
CCOC(CN1N=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N)OCC	REAL300020174444	1	49	-1.0	-44.69	401.92	3.91	-40.78
COC1=CC=C2OC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020174445	0	37	-1.0	-43.91	319.65	5.10	-38.81
COC1=CC=C2OC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020174445	1	37	-1.0	-43.70	318.68	5.08	-38.62
CCCC1=NOC2=NC(CC)=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C12	REAL300020174446	0	46	-1.0	-36.51	375.70	5.52	-30.99
CCCC1=NOC2=NC(CC)=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C12	REAL300020174446	1	46	-1.0	-36.49	375.75	5.52	-30.97
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H](O)CC1=CC=CC=C1	REAL300020174447	0	37	-1.0	-39.77	317.00	4.77	-35.00
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CC(C)C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020174450	0	52	-1.0	-41.63	402.35	5.25	-36.38
CC(C)C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020174450	1	52	-1.0	-41.68	402.39	5.25	-36.43
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CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CN2N=NN=C2N1C	REAL300020174451	1	38	-1.0	-42.51	313.19	5.57	-36.94
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COC1=CC=CC=C1N1N=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020174454	0	44	-1.0	-47.82	368.03	6.53	-41.29
COC1=CC=CC=C1N1N=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020174454	1	44	-1.0	-47.84	368.07	6.53	-41.31
NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1Cl	REAL300020174455	0	33	-1.0	-52.78	305.11	0.96	-51.82
NC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1Cl	REAL300020174455	1	33	-1.0	-52.80	305.07	0.96	-51.84
O=C(CC1=CC=C(Cl)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174456	0	30	-1.0	-37.13	292.38	5.86	-31.27
O=C(CC1=CC=C(Cl)S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174456	1	30	-1.0	-37.10	292.42	5.87	-31.23
CCC(C)CCC(O)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174457	0	45	-1.0	-40.00	357.10	4.97	-35.03
CCC(C)CCC(O)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174457	1	45	-1.0	-40.04	357.14	4.97	-35.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC(F)(F)C1	REAL300020174458	0	36	-1.0	-38.87	297.67	5.82	-33.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC(F)(F)C1	REAL300020174458	1	36	-1.0	-38.88	297.73	5.82	-33.06
CN(C)S(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020174459	0	41	-1.0	-42.32	357.14	3.37	-38.95
CN(C)S(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020174459	1	41	-1.0	-42.32	357.19	3.37	-38.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2C=CC(Cl)=CC2=C1	REAL300020174460	0	33	-1.0	-45.46	308.61	5.63	-39.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2C=CC(Cl)=CC2=C1	REAL300020174460	1	33	-1.0	-45.47	308.56	5.63	-39.84
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020174461	0	37	-1.0	-40.48	334.16	1.69	-38.79
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020174461	1	37	-1.0	-40.45	334.20	1.69	-38.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(=O)NC2=N1	REAL300020174462	0	33	-1.0	-47.31	294.32	1.59	-45.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(=O)NC2=N1	REAL300020174462	1	33	-1.0	-47.53	293.36	1.58	-45.95
CC1=CC=C2C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CSC2=C1	REAL300020174463	0	36	-1.0	-41.85	317.27	7.46	-34.39
CC1=CC=C2C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CSC2=C1	REAL300020174463	1	36	-1.0	-41.85	317.31	7.47	-34.38
O=C(CN1CCC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174464	0	41	-1.0	-46.54	344.95	6.61	-39.93
O=C(CN1CCC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174464	1	41	-1.0	-46.54	344.99	6.62	-39.92
CC1=C(Cl)C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174465	0	33	-1.0	-38.20	290.21	6.55	-31.65
CC1=C(Cl)C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174465	1	33	-1.0	-38.22	290.26	6.55	-31.67
CN(C)C1=CC(F)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020174466	0	40	-1.0	-45.66	346.13	6.85	-38.81
CN(C)C1=CC(F)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020174466	1	40	-1.0	-45.62	345.17	6.81	-38.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC[NH+](C2CC2)CC1	REAL300020174467	0	43	0.0	-52.97	330.96	6.76	-46.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC[NH+](C2CC2)CC1	REAL300020174467	1	43	0.0	-52.98	330.91	6.74	-46.24
CC(C)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020174468	0	40	-1.0	-42.56	331.71	4.84	-37.72
CC(C)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020174468	1	40	-1.0	-42.51	331.76	4.84	-37.67
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)(F)Cl)C=C1	REAL300020174469	0	34	-1.0	-38.75	317.87	5.79	-32.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)(F)Cl)C=C1	REAL300020174469	1	34	-1.0	-38.78	317.92	5.80	-32.98
CN1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL300020174470	0	41	-1.0	-40.89	340.41	6.18	-34.71
CN1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL300020174470	1	41	-1.0	-40.77	340.47	6.19	-34.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2N1CC(F)(F)F	REAL300020174471	0	40	-1.0	-40.78	340.30	9.05	-31.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2N1CC(F)(F)F	REAL300020174471	1	40	-1.0	-40.82	340.35	9.05	-31.77
CCCCCCCCCC(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174472	0	56	-1.0	-37.71	433.08	10.65	-27.06
CCCCCCCCCC(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174472	1	56	-1.0	-37.71	433.12	10.65	-27.06
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL300020174473	0	43	-1.0	-40.69	355.54	7.53	-33.16
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL300020174473	1	43	-1.0	-40.63	355.59	7.55	-33.08
N#CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020174474	0	31	-1.0	-36.40	288.20	5.92	-30.48
N#CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020174474	1	31	-1.0	-36.39	288.25	5.92	-30.47
O=C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174475	0	41	-1.0	-58.49	368.40	1.06	-57.43
O=C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174475	1	41	-1.0	-58.54	368.45	1.07	-57.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(O)=C2C=CSC2=C1	REAL300020174476	0	34	-1.0	-41.46	309.23	4.00	-37.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(O)=C2C=CSC2=C1	REAL300020174476	1	34	-1.0	-41.50	309.28	4.00	-37.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CC=CN=C2S1	REAL300020174477	0	31	-1.0	-46.60	290.93	3.02	-43.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CC=CN=C2S1	REAL300020174477	1	31	-1.0	-46.65	290.89	3.02	-43.63
NC1=C(Cl)C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020174478	0	32	-1.0	-37.85	301.08	4.51	-33.34
NC1=C(Cl)C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020174478	1	32	-1.0	-37.84	301.12	4.51	-33.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(NCC2CC2)N=C1	REAL300020174479	0	41	-1.0	-42.34	344.27	5.73	-36.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NCC2CC2)N=C1	REAL300020174479	1	41	-1.0	-42.28	344.31	5.73	-36.55
CC1=C(C)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174480	0	32	-1.0	-42.63	289.28	3.84	-38.79
CC1=C(C)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174480	1	32	-1.0	-42.63	289.32	3.84	-38.79
CN1C=C2C(=N1)CCCC2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174481	0	40	-1.0	-40.44	323.07	5.69	-34.75
CN1C=C2C(=N1)CCCC2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174481	1	40	-1.0	-40.42	323.11	5.70	-34.72
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2CC2)=N1	REAL300020174482	0	36	-1.0	-40.57	317.48	5.47	-35.10
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2CC2)=N1	REAL300020174482	1	36	-1.0	-40.52	317.53	5.47	-35.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1(C2=CN=CC(Br)=C2)CC1	REAL300020174483	0	36	-1.0	-39.98	330.36	6.03	-33.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1(C2=CN=CC(Br)=C2)CC1	REAL300020174483	1	36	-1.0	-39.95	330.27	6.04	-33.91
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174484	0	46	-1.0	-53.48	377.46	5.46	-48.02
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174484	1	46	-1.0	-53.43	377.52	5.46	-47.97
O=C(CC1CCC(F)(F)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174485	0	36	-1.0	-39.60	301.42	5.95	-33.65
O=C(CC1CCC(F)(F)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174485	1	36	-1.0	-39.63	301.46	5.95	-33.68
O=C(CC1=C(Br)C(=O)NC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174486	0	33	-1.0	-50.78	307.00	3.54	-47.24
O=C(CC1=C(Br)C(=O)NC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174486	1	33	-1.0	-50.76	307.04	3.55	-47.21
COC1=CC=CC(C(C)CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174487	0	49	-1.0	-40.34	393.29	8.14	-32.20
COC1=CC=CC(C(C)CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174487	1	49	-1.0	-40.34	393.34	8.14	-32.20
CC1=CC(F)=CC(N2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=N2)=C1	REAL300020174488	0	39	-1.0	-46.19	346.70	5.91	-40.28
CC1=CC(F)=CC(N2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=N2)=C1	REAL300020174488	1	39	-1.0	-46.20	346.65	5.91	-40.29
CC1=NC2=C(CCCC2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020174489	0	39	-1.0	-45.89	330.35	6.20	-39.69
CC1=NC2=C(CCCC2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020174489	1	39	-1.0	-45.88	330.40	6.21	-39.67
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=C(Cl)C=C2)=CN1	REAL300020174490	0	38	-1.0	-39.44	342.98	7.35	-32.09
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=CN1	REAL300020174490	1	38	-1.0	-39.41	343.02	7.34	-32.07
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC2=CC(C)=C(C)C=C21	REAL300020174491	0	42	-1.0	-44.76	354.20	8.72	-36.04
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=CC(C)=C(C)C=C21	REAL300020174491	1	42	-1.0	-44.75	354.25	8.72	-36.03
O=C(CC1CC(C2=CC=CC=C2)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174492	0	43	-1.0	-39.48	350.84	8.73	-30.75
O=C(CC1CC(C2=CC=CC=C2)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174492	1	43	-1.0	-38.91	349.88	8.72	-30.19
O=C(CCCC1CCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174493	0	43	-1.0	-38.84	340.96	5.53	-33.31
O=C(CCCC1CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174493	1	43	-1.0	-38.85	341.01	5.53	-33.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2CCC2)=C1	REAL300020174494	0	40	-1.0	-40.85	327.22	8.06	-32.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2CCC2)=C1	REAL300020174494	1	40	-1.0	-40.82	327.27	8.06	-32.76
CSC1=C(F)C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174495	0	34	-1.0	-39.61	306.27	6.59	-33.02
CSC1=C(F)C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174495	1	34	-1.0	-39.65	306.31	6.59	-33.06
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020174496	0	36	-1.0	-43.84	308.16	3.78	-40.06
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020174496	1	36	-1.0	-43.88	308.20	3.78	-40.10
C[C@H](OC1=CC=C(Br)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174497	0	37	-1.0	-38.22	334.74	7.25	-30.97
C[C@H](OC1=CC=C(Br)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174497	1	37	-1.0	-38.02	333.96	7.25	-30.77
COC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C)N=C1	REAL300020174498	0	37	-1.0	-40.21	321.04	3.94	-36.27
COC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C)N=C1	REAL300020174498	1	37	-1.0	-40.23	320.99	3.93	-36.30
CC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020174499	0	38	-1.0	-39.53	319.98	6.65	-32.88
CC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C	REAL300020174499	1	38	-1.0	-39.54	320.03	6.66	-32.88
COC1=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(OC)=C1O	REAL300020174500	0	42	-1.0	-42.66	354.61	3.14	-39.52
COC1=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(OC)=C1O	REAL300020174500	1	42	-1.0	-42.65	354.65	3.14	-39.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1CC(F)F	REAL300020174501	0	33	-1.0	-38.15	287.30	4.86	-33.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1CC(F)F	REAL300020174501	1	33	-1.0	-38.18	287.26	4.86	-33.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(C(F)(F)F)CC1	REAL300020174502	0	39	-1.0	-38.04	324.46	6.63	-31.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(C(F)(F)F)CC1	REAL300020174502	1	39	-1.0	-38.00	324.52	6.63	-31.37
CC(=O)NC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174503	0	40	-1.0	-40.38	337.39	5.19	-35.19
CC(=O)NC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174503	1	40	-1.0	-40.42	337.44	5.19	-35.23
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C1CC1	REAL300020174504	0	41	-1.0	-40.71	338.96	6.93	-33.78
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C1CC1	REAL300020174504	1	41	-1.0	-40.68	339.01	6.93	-33.75
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OCCO	REAL300020174505	0	42	-1.0	-44.35	353.34	2.53	-41.82
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OCCO	REAL300020174505	1	42	-1.0	-44.35	353.38	2.53	-41.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C2=CC=CC=C12	REAL300020174506	0	36	-1.0	-39.48	308.54	7.78	-31.70
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C2=CC=CC=C12	REAL300020174506	1	36	-1.0	-39.47	308.59	7.78	-31.69
CC1=CSC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174507	0	35	-1.0	-39.48	314.11	4.66	-34.82
CC1=CSC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174507	1	35	-1.0	-39.44	314.16	4.68	-34.76
COC(CNC(=O)OC(C)(C)C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174508	0	50	-1.0	-46.40	399.90	3.76	-42.64
COC(CNC(=O)OC(C)(C)C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174508	1	50	-1.0	-46.39	399.95	3.77	-42.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=NC=C2)C=C1	REAL300020174509	0	36	-1.0	-49.33	317.03	4.85	-44.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=NC=C2)C=C1	REAL300020174509	1	36	-1.0	-49.32	317.07	4.85	-44.47
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(S(N)(=O)=O)O1	REAL300020174510	0	35	-1.0	-44.87	319.76	-0.74	-45.61
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(S(N)(=O)=O)O1	REAL300020174510	1	35	-1.0	-44.91	319.80	-0.74	-45.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(C2CCC2)=N1	REAL300020174511	0	36	-1.0	-45.23	310.49	2.90	-42.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(C2CCC2)=N1	REAL300020174511	1	36	-1.0	-45.15	310.53	2.90	-42.25
CC1=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020174512	0	39	-1.0	-39.94	338.94	7.12	-32.82
CC1=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020174512	1	39	-1.0	-39.91	338.99	7.12	-32.79
CC1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1C1=CC=CC=C1	REAL300020174513	0	40	-1.0	-39.62	326.50	8.05	-31.57
CC1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1C1=CC=CC=C1	REAL300020174513	1	40	-1.0	-39.57	326.55	8.05	-31.52
CC1=CC=CN=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174514	0	35	-1.0	-46.17	304.92	5.62	-40.55
CC1=CC=CN=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174514	1	35	-1.0	-46.22	304.87	5.62	-40.60
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)=C1	REAL300020174515	0	40	-2.0	-118.34	354.43	5.33	-113.01
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)=C1	REAL300020174515	1	40	-2.0	-118.22	354.48	5.33	-112.89
CC(C)CC(=O)NC(CC(N)=O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174516	0	46	-1.0	-52.78	378.85	0.92	-51.86
CC(C)CC(=O)NC(CC(N)=O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174516	1	46	-1.0	-52.86	378.91	0.92	-51.94
C[Si](C)(C)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174517	0	45	-1.0	-42.07	378.99	10.65	-31.42
C[Si](C)(C)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174517	1	45	-1.0	-42.06	379.04	10.66	-31.40
CC(C)(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)F	REAL300020174518	0	35	-1.0	-35.99	294.28	5.31	-30.68
CC(C)(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)F	REAL300020174518	1	35	-1.0	-36.00	294.32	5.31	-30.69
COC(=O)[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020174519	0	42	-1.0	-40.88	341.74	6.35	-34.53
COC(=O)[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020174519	1	42	-1.0	-40.87	341.79	6.35	-34.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL300020174520	0	34	-1.0	-38.42	322.49	7.26	-31.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL300020174520	1	34	-1.0	-38.36	322.54	7.27	-31.09
CC1=NC(CN2N=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C)=NO1	REAL300020174521	0	40	-1.0	-51.41	351.45	1.71	-49.70
CC1=NC(CN2N=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C)=NO1	REAL300020174521	1	40	-1.0	-51.34	351.49	1.71	-49.63
CC1=NC(CN2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=N2)=NO1	REAL300020174522	0	37	-1.0	-53.04	334.62	1.14	-51.90
CC1=NC(CN2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=N2)=NO1	REAL300020174522	1	37	-1.0	-52.99	334.67	1.14	-51.85
CCC1=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020174523	0	33	-1.0	-44.54	305.51	3.82	-40.72
CCC1=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020174523	1	33	-1.0	-44.53	305.55	3.82	-40.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(CC(F)F)C=C1	REAL300020174524	0	33	-1.0	-46.61	300.45	4.39	-42.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(CC(F)F)C=C1	REAL300020174524	1	33	-1.0	-46.60	300.40	4.38	-42.22
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)=C1	REAL300020174525	0	46	-2.0	-117.98	389.96	6.60	-111.38
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)=C1	REAL300020174525	1	46	-2.0	-117.94	390.00	6.60	-111.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2NC=CC=C2N=C1	REAL300020174526	0	33	-1.0	-57.81	288.36	3.67	-54.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2NC=CC=C2N=C1	REAL300020174526	1	33	-1.0	-57.81	288.40	3.68	-54.13
O=C(CC1=CC=CN=C1Br)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174527	0	32	-1.0	-43.43	297.93	4.72	-38.71
O=C(CC1=CC=CN=C1Br)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174527	1	32	-1.0	-43.48	297.89	4.73	-38.75
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C=CC2=CC=CC=C2C1=O	REAL300020174528	0	42	-1.0	-42.83	350.01	7.26	-35.57
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C=CC2=CC=CC=C2C1=O	REAL300020174528	1	42	-1.0	-42.71	350.05	7.26	-35.45
CN1N=CC2=C1N(C)C=C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2=O	REAL300020174529	0	39	-1.0	-63.48	326.70	5.46	-58.02
CC1=C(S(N)(=O)=O)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020174530	0	35	-1.0	-40.61	338.62	0.63	-39.98
CC1=C(S(N)(=O)=O)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020174530	1	35	-1.0	-40.57	337.64	0.61	-39.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Br)=C1F	REAL300020174531	0	30	-1.0	-37.44	303.36	6.66	-30.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(Br)=C1F	REAL300020174531	1	30	-1.0	-37.42	303.41	6.66	-30.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C(Cl)=C1F	REAL300020174532	0	30	-1.0	-36.62	301.58	6.62	-30.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C(Cl)=C1F	REAL300020174532	1	30	-1.0	-36.58	301.62	6.62	-29.96
CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL300020174533	0	37	-1.0	-44.33	322.56	7.22	-37.11
CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL300020174533	1	37	-1.0	-44.36	322.60	7.22	-37.14
N#CCCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020174534	0	44	-1.0	-50.53	380.50	9.34	-41.19
N#CCCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020174534	1	44	-1.0	-50.46	380.54	9.34	-41.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(C2=C(F)C=CC=C2F)=NO1	REAL300020174535	0	38	-1.0	-47.16	343.20	6.83	-40.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(C2=C(F)C=CC=C2F)=NO1	REAL300020174535	1	38	-1.0	-47.15	343.24	6.83	-40.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC(C2=CC=CC=C2)=CS1	REAL300020174536	0	36	-1.0	-42.90	327.04	6.19	-36.71
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC(C2=CC=CC=C2)=CS1	REAL300020174536	1	36	-1.0	-42.92	326.03	6.17	-36.75
CCC1=CSC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174537	0	35	-1.0	-41.84	312.84	4.61	-37.23
CCC1=CSC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174537	1	35	-1.0	-41.77	312.89	4.61	-37.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(OC2=CC=C(F)C=C2F)=C1	REAL300020174538	0	40	-1.0	-39.25	360.77	5.89	-33.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(OC2=CC=C(F)C=C2F)=C1	REAL300020174538	1	40	-1.0	-39.24	360.73	5.87	-33.37
CN1N=CC2=C1CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC2	REAL300020174539	0	40	-1.0	-39.85	325.87	5.49	-34.36
CN1N=CC2=C1CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC2	REAL300020174539	1	40	-1.0	-39.82	325.91	5.49	-34.33
CS(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174540	0	38	-1.0	-52.08	338.35	4.75	-47.33
CS(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174540	1	38	-1.0	-52.05	338.39	4.76	-47.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@H]1C[C@@H]1C1=CC=CC(F)=C1	REAL300020174541	0	37	-1.0	-39.62	319.46	7.55	-32.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H]1C[C@@H]1C1=CC=CC(F)=C1	REAL300020174541	1	37	-1.0	-39.58	319.51	7.55	-32.03
O=C(CCCOC1=CC=C2CCC(=O)NC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174542	0	48	-1.0	-44.41	397.32	5.74	-38.67
O=C(CCCOC1=CC=C2CCC(=O)NC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174542	1	48	-1.0	-44.35	397.37	5.75	-38.60
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1CC1=CC=C(F)C=C1	REAL300020174543	0	42	-1.0	-51.52	365.24	6.21	-45.31
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1CC1=CC=C(F)C=C1	REAL300020174543	1	42	-1.0	-51.56	365.29	6.21	-45.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(CN2C=CN=C2)=C1	REAL300020174544	0	40	-1.0	-45.82	344.78	8.74	-37.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(CN2C=CN=C2)=C1	REAL300020174544	1	40	-1.0	-45.80	344.82	8.74	-37.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=NC=CN=C2C=C1	REAL300020174545	0	33	-1.0	-52.74	293.86	3.03	-49.71
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=NC=CN=C2C=C1	REAL300020174545	1	33	-1.0	-52.75	293.81	3.03	-49.72
CC1=NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300020174546	0	35	-1.0	-41.86	305.08	3.15	-38.71
CC1=NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2O1	REAL300020174546	1	35	-1.0	-41.81	305.13	3.15	-38.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CC=CC=C2N=N1	REAL300020174547	0	33	-1.0	-53.14	294.80	3.78	-49.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CC=CC=C2N=N1	REAL300020174547	1	33	-1.0	-53.20	294.76	3.77	-49.43
CC1=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC=C2O1	REAL300020174548	0	35	-1.0	-47.63	304.69	3.36	-44.27
CC1=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC=C2O1	REAL300020174548	1	35	-1.0	-47.57	304.74	3.36	-44.21
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1CO	REAL300020174549	0	37	-1.0	-45.51	310.43	3.55	-41.96
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1CO	REAL300020174549	1	37	-1.0	-45.44	310.48	3.55	-41.89
CN1C=NC2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C21	REAL300020174550	0	36	-1.0	-42.79	299.03	6.72	-36.07
CN1C=NC2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C21	REAL300020174550	1	36	-1.0	-42.85	298.99	6.72	-36.13
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020174551	0	32	-1.0	-41.63	296.25	3.51	-38.12
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020174551	1	32	-1.0	-41.65	296.20	3.51	-38.14
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174552	0	34	-1.0	-45.52	304.55	4.37	-41.15
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174552	1	34	-1.0	-45.44	304.60	4.38	-41.06
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)S(C)(=O)=O	REAL300020174553	0	38	-1.0	-46.33	310.97	1.90	-44.43
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)S(C)(=O)=O	REAL300020174553	1	38	-1.0	-46.35	311.02	1.89	-44.46
CCOC1=NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020174554	0	40	-1.0	-41.69	341.77	2.89	-38.80
CCOC1=NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020174554	1	40	-1.0	-41.64	341.82	2.89	-38.75
COC1=CC=CN=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174555	0	36	-1.0	-44.27	308.49	3.65	-40.62
COC1=CC=CN=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174555	1	36	-1.0	-44.26	308.53	3.66	-40.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)OC=C1	REAL300020174556	0	27	-1.0	-39.45	263.91	4.15	-35.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)OC=C1	REAL300020174556	1	27	-1.0	-39.39	263.96	4.15	-35.24
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SCCO1	REAL300020174557	0	33	-1.0	-43.97	286.02	4.34	-39.63
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SCCO1	REAL300020174557	1	33	-1.0	-43.92	286.07	4.35	-39.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=C(O)C=C1	REAL300020174558	0	33	-1.0	-43.28	291.80	2.46	-40.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=C(O)C=C1	REAL300020174558	1	33	-1.0	-43.26	291.84	2.46	-40.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=C([O-])C=C1	REAL300020174558	1	32	-2.0	-87.89	288.23	3.24	-84.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=C([O-])C=C1	REAL300020174558	1	32	-2.0	-87.86	288.28	3.24	-84.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-]	REAL300020174559	0	41	-1.0	-43.22	358.94	8.73	-34.49
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CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1Cl	REAL300020174563	1	33	-1.0	-40.33	299.94	6.61	-33.72
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CC1=NN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300020174565	1	43	-1.0	-42.60	364.72	7.69	-34.91
CC(OC1=CC=CC2=CC=CC=C21)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174566	0	43	-1.0	-42.00	357.98	8.84	-33.16
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CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1CC1CCCC1	REAL300020174569	0	45	-1.0	-49.01	357.20	5.52	-43.49
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CC(C)(C)C(=O)NC1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020174571	0	52	-1.0	-41.95	401.33	6.49	-35.46
CC(C)(C)C(=O)NC1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020174571	1	52	-1.0	-41.95	401.38	6.49	-35.46
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CC(C)(C)C1=CC=C(C(O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174573	0	52	-1.0	-40.35	412.55	6.93	-33.42
CC(C)(C)C1=CC=C(C(O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174573	1	52	-1.0	-40.43	412.59	6.94	-33.49
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CC1(C)COC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC=C21	REAL300020174578	0	41	-1.0	-45.77	337.35	7.29	-38.48
CC1(C)COC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC=C21	REAL300020174578	1	41	-1.0	-45.73	337.39	7.30	-38.43
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CC(C)(C)OC(=O)NC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020174580	0	49	-1.0	-44.05	399.96	4.74	-39.31
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020174580	1	49	-1.0	-44.02	400.00	4.74	-39.28
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NC(=O)C1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174585	0	40	-1.0	-48.63	332.06	3.63	-45.00
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CC1CCC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020174587	0	43	-1.0	-40.44	341.36	6.75	-33.69
CC1CCC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020174587	1	43	-1.0	-40.44	341.40	6.76	-33.68
NC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174588	0	37	-1.0	-45.21	320.68	2.94	-42.27
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CC1=CC=CC2=C1C(C)CC2CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174589	0	46	-1.0	-39.65	357.92	8.96	-30.69
CC1=CC=CC2=C1C(C)CC2CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174589	1	46	-1.0	-39.63	357.96	8.96	-30.67
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COCCOC1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020174593	0	47	-1.0	-42.99	368.50	4.79	-38.20
COCCOC1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020174593	1	47	-1.0	-42.95	368.55	4.80	-38.15
COC1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=C(F)C=C1	REAL300020174594	0	38	-1.0	-43.08	331.25	4.77	-38.31
COC1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=C(F)C=C1	REAL300020174594	1	38	-1.0	-43.01	331.30	4.78	-38.23
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N2C=C(Br)C=CC2=N1	REAL300020174595	0	36	-1.0	-39.16	314.47	6.91	-32.25
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CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174600	0	50	-1.0	-45.82	397.58	6.39	-39.43
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CC(C)(C)OC(=O)N1CC2(CC2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174609	1	48	-1.0	-44.84	388.26	6.09	-38.75
CN1N=C(C(F)F)C2=C1SC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2	REAL300020174610	0	36	-1.0	-41.27	337.62	5.41	-35.86
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174611	0	43	-1.0	-41.66	358.94	8.82	-32.84
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174611	1	43	-1.0	-41.15	358.16	8.83	-32.32
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CC(C)CN1C=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC=C21	REAL300020174612	1	46	-1.0	-46.21	374.14	9.45	-36.76
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COC1=CC=C(OC)C(C2=NOC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)=C1	REAL300020174616	0	46	-1.0	-47.14	386.32	5.58	-41.56
COC1=CC=C(OC)C(C2=NOC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)=C1	REAL300020174616	1	46	-1.0	-47.09	386.36	5.59	-41.50
COC1=CC=CC(C2=NOC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)=C1	REAL300020174617	0	42	-1.0	-45.75	358.72	6.06	-39.69
COC1=CC=CC(C2=NOC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)=C1	REAL300020174617	1	42	-1.0	-45.74	358.77	6.07	-39.67
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CC1=CC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C=O	REAL300020174623	0	38	-1.0	-51.33	317.06	6.40	-44.93
CC1=CC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C=O	REAL300020174623	1	38	-1.0	-51.31	317.11	6.40	-44.91
CC1=CSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Br	REAL300020174624	0	30	-1.0	-39.53	290.72	5.72	-33.81
CC1=CSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Br	REAL300020174624	1	30	-1.0	-39.52	290.76	5.72	-33.80
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CC(C)(C)OC(=O)C1=NOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020174628	0	43	-1.0	-39.73	360.38	5.71	-34.02
CC(C)(C)OC(=O)C1=NOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174628	1	43	-1.0	-39.71	360.42	5.71	-34.00
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174629	0	50	-1.0	-41.67	399.17	6.41	-35.26
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174629	1	50	-1.0	-49.16	396.58	6.41	-42.75
O=C(CC1=CC=CC(C(F)F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174630	0	36	-1.0	-41.83	319.30	7.07	-34.76
O=C(CC1=CC=CC(C(F)F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174630	1	36	-1.0	-41.76	319.34	7.07	-34.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(C2=CC=CN=C2)=NO1	REAL300020174631	0	37	-1.0	-43.04	324.59	4.96	-38.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(C2=CC=CN=C2)=NO1	REAL300020174631	1	37	-1.0	-43.08	324.55	4.96	-38.12
CC(C)(C)N1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020174632	0	38	-1.0	-48.57	321.78	3.73	-44.84
CC(C)(C)N1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020174632	1	38	-1.0	-48.58	322.75	3.75	-44.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020174633	0	46	0.0	-62.64	363.67	8.52	-54.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020174633	1	46	0.0	-62.62	363.72	8.52	-54.10
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CC(C)N1CCOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020174635	0	42	-1.0	-39.85	327.24	2.94	-36.91
CC(C)[N@@H+]1CCOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174635	1	43	0.0	-51.16	333.43	5.43	-45.73
CC(C)[N@H+]1CCOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174635	1	43	0.0	-48.80	326.31	5.25	-43.55
CC(C)N1CCOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174635	1	42	-1.0	-39.85	327.29	2.94	-36.91
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)C=C1Cl	REAL300020174636	0	36	-1.0	-38.17	311.96	7.23	-30.94
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CN(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OCC1=CC=CC=C1	REAL300020174638	1	47	-1.0	-46.06	399.49	7.47	-38.59
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COC1=CC(C)=CN=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174641	0	36	-1.0	-49.98	306.71	4.84	-45.14
COC1=CC(C)=CN=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174641	1	36	-1.0	-49.93	306.67	4.82	-45.11
CN1C=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020174642	0	38	-1.0	-44.60	332.76	4.65	-39.95
CN1C=C(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020174642	1	38	-1.0	-44.63	332.80	4.66	-39.97
CN(C)S(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174643	0	44	-1.0	-44.38	381.70	4.15	-40.23
CN(C)S(=O)(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174643	1	44	-1.0	-44.31	381.75	4.17	-40.14
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(CC(F)(F)F)C1	REAL300020174644	1	38	-1.0	-38.20	319.35	3.15	-35.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CO)C(F)=C1	REAL300020174645	0	34	-1.0	-40.14	297.98	3.02	-37.12
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CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174646	0	48	0.0	-61.16	374.87	8.73	-52.43
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174646	1	48	0.0	-61.14	374.90	8.73	-52.41
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2=CC(Br)=CC=C2O1	REAL300020174647	1	35	-1.0	-38.86	322.12	6.90	-31.96
O=C(CCC1=CC2=CC=CC=C2N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174648	0	41	-1.0	-42.73	348.75	7.33	-35.40
O=C(CCC1=CC2=CC=CC=C2N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174648	1	41	-1.0	-42.77	348.71	7.31	-35.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=C(Cl)S1	REAL300020174649	0	26	-1.0	-40.37	266.67	3.22	-37.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=C(Cl)S1	REAL300020174649	1	26	-1.0	-40.35	265.66	3.20	-37.15
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020174650	0	37	-1.0	-43.71	322.24	4.49	-39.22
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020174650	1	37	-1.0	-44.86	323.12	4.49	-40.37
O=C(C=CC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174651	0	36	-1.0	-43.05	324.44	6.67	-36.38
O=C(C=CC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174651	1	36	-1.0	-43.06	324.48	6.67	-36.39
N#CC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174652	0	40	-1.0	-39.82	346.23	7.87	-31.95
N#CC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174652	1	40	-1.0	-39.84	346.27	7.88	-31.96
CC(NC(=O)OC(C)(C)C)C(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174653	0	49	-1.0	-39.98	380.03	4.30	-35.68
CC(NC(=O)OC(C)(C)C)C(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174653	1	49	-1.0	-39.96	380.07	4.30	-35.66
CC(C)(C)OC(=O)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174654	0	41	-1.0	-40.32	336.51	6.00	-34.32
CC(C)(C)OC(=O)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174654	1	41	-1.0	-40.35	336.56	6.00	-34.35
CC(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020174655	0	49	-1.0	-41.09	393.90	4.82	-36.27
CC(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020174655	1	49	-1.0	-41.08	393.95	4.84	-36.24
CCOC(=O)C1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCC1	REAL300020174656	0	42	-1.0	-43.16	344.49	6.58	-36.58
CCOC(=O)C1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCC1	REAL300020174656	1	42	-1.0	-43.17	344.53	6.60	-36.57
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=C(F)C=C1F	REAL300020174658	1	29	-1.0	-41.76	269.67	3.92	-37.84
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COC(=CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174660	0	38	-1.0	-42.09	320.67	6.62	-35.47
COC(=CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174660	1	38	-1.0	-42.12	320.75	6.62	-35.50
NC(=O)C1=CC=CC=C1NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174661	0	39	-1.0	-46.50	327.22	1.61	-44.89
NC(=O)C1=CC=CC=C1NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174661	1	39	-1.0	-46.47	327.26	1.60	-44.87
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(Br)S1	REAL300020174662	0	29	-1.0	-44.91	286.56	3.84	-41.07
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(Br)S1	REAL300020174662	1	29	-1.0	-44.96	286.52	3.84	-41.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C2CC2)SC(Br)=N1	REAL300020174663	0	33	-1.0	-45.29	317.68	5.36	-39.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C2CC2)SC(Br)=N1	REAL300020174663	1	33	-1.0	-45.33	317.64	5.34	-39.99
O=C(CC1=CN=CN1CC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174664	0	43	-1.0	-43.83	361.29	8.83	-35.00
O=C(CC1=CN=CN1CC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174664	1	43	-1.0	-43.85	361.34	8.83	-35.02
COC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174665	0	36	-1.0	-39.20	316.98	6.59	-32.61
COC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174665	1	36	-1.0	-39.20	317.02	6.60	-32.60
CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OCC1=CC=CC=C1	REAL300020174666	0	44	-1.0	-42.48	378.42	7.14	-35.34
CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OCC1=CC=CC=C1	REAL300020174666	1	44	-1.0	-42.48	378.47	7.14	-35.34
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1C	REAL300020174667	0	39	-1.0	-44.18	335.19	6.08	-38.10
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1C	REAL300020174667	1	39	-1.0	-44.14	335.23	6.08	-38.06
CC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020174668	0	36	-1.0	-41.63	318.07	7.15	-34.48
CC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020174668	1	36	-1.0	-41.64	318.11	7.16	-34.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2CCCCN12	REAL300020174669	0	37	-1.0	-40.71	299.84	5.69	-35.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2CCCCN12	REAL300020174669	1	37	-1.0	-40.62	299.88	5.69	-34.93
CCCCS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174670	0	45	-1.0	-46.52	386.61	5.50	-41.02
CCCCS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174670	1	45	-1.0	-46.54	386.65	5.50	-41.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC(F)(F)F)C=N1	REAL300020174671	0	36	-1.0	-44.02	328.70	4.41	-39.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)C=N1	REAL300020174671	1	36	-1.0	-44.03	328.66	4.40	-39.63
CC1=C(Br)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N1C	REAL300020174672	0	36	-1.0	-54.25	318.49	5.54	-48.71
CC1=C(Br)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N1C	REAL300020174672	1	36	-1.0	-54.27	318.63	5.55	-48.72
CC(C)(C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1)C(F)(F)F	REAL300020174673	0	42	-1.0	-39.44	350.82	8.00	-31.44
CC(C)(C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1)C(F)(F)F	REAL300020174673	1	42	-1.0	-39.36	350.86	8.00	-31.36
COC1=CC=C(C(=O)CCCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174674	0	51	-1.0	-45.78	421.56	8.45	-37.33
COC1=CC=C(C(=O)CCCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174674	1	51	-1.0	-45.83	421.61	8.46	-37.37
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020174675	0	33	-1.0	-40.61	295.42	6.65	-33.96
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020174675	1	33	-1.0	-40.58	295.47	6.67	-33.91
CCN1N=NC2=C1CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020174676	0	42	-1.0	-49.36	342.63	5.02	-44.34
CCN1N=NC2=C1CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020174676	1	42	-1.0	-49.35	342.67	5.02	-44.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2N=C1	REAL300020174677	0	35	-1.0	-44.22	302.85	5.87	-38.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2N=C1	REAL300020174677	1	35	-1.0	-44.26	302.81	5.86	-38.40
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(Br)=N1	REAL300020174678	0	29	-1.0	-36.65	287.38	3.83	-32.82
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(Br)=N1	REAL300020174678	1	29	-1.0	-36.64	287.42	3.83	-32.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCS(=O)(=O)C1	REAL300020174679	0	36	-1.0	-46.14	305.03	1.80	-44.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCS(=O)(=O)C1	REAL300020174679	1	36	-1.0	-46.15	305.07	1.80	-44.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)CCCCC2=O	REAL300020174680	0	42	-1.0	-41.70	344.50	7.65	-34.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)CCCCC2=O	REAL300020174680	1	42	-1.0	-41.70	344.54	7.65	-34.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OC(=O)NC2=C1	REAL300020174681	0	33	-1.0	-38.76	292.26	2.95	-35.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OC(=O)NC2=C1	REAL300020174681	1	33	-1.0	-38.77	292.30	2.96	-35.81
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1CC1=CC=NC=C1	REAL300020174682	0	41	-1.0	-51.41	350.48	4.26	-47.15
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1CC1=CC=NC=C1	REAL300020174682	1	41	-1.0	-51.39	350.52	4.26	-47.13
CC1=CC(Br)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020174683	0	33	-1.0	-39.72	313.18	7.20	-32.52
CC1=CC(Br)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020174683	1	33	-1.0	-39.69	313.22	7.20	-32.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)C2=CC=C(F)C=C2O1	REAL300020174684	0	35	-1.0	-39.45	317.81	5.79	-33.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)C2=CC=C(F)C=C2O1	REAL300020174684	1	35	-1.0	-39.41	317.85	5.80	-33.61
COCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174685	0	47	-1.0	-40.40	383.01	2.29	-38.11
COCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174685	1	47	-1.0	-40.44	383.06	2.29	-38.15
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174686	0	45	-1.0	-45.93	383.29	6.48	-39.45
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174686	1	45	-1.0	-45.95	383.33	6.49	-39.46
NC(=O)CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CO1	REAL300020174687	0	34	-1.0	-48.02	300.96	1.09	-46.93
NC(=O)CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CO1	REAL300020174687	1	34	-1.0	-47.93	301.00	1.10	-46.83
CC(CNC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174688	0	46	-1.0	-41.18	369.36	3.70	-37.48
CC(CNC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174688	1	46	-1.0	-41.13	369.41	3.70	-37.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=CC(Br)=C21	REAL300020174689	0	36	-1.0	-46.70	320.71	8.11	-38.59
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=CC(Br)=C21	REAL300020174689	1	36	-1.0	-47.00	321.19	8.23	-38.77
CC(OC1=CC=C(C=O)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174690	0	39	-1.0	-42.22	336.18	6.37	-35.85
CC(OC1=CC=C(C=O)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174690	1	39	-1.0	-42.87	336.90	6.38	-36.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(Cl)C(Br)=C1	REAL300020174691	0	29	-1.0	-36.07	292.80	4.70	-31.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(Cl)C(Br)=C1	REAL300020174691	1	29	-1.0	-36.05	292.76	4.70	-31.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OC(=O)NC2=N1	REAL300020174692	0	32	-1.0	-43.76	290.37	2.30	-41.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OC(=O)NC2=N1	REAL300020174692	1	32	-1.0	-44.01	289.40	2.27	-41.74
CC(C)C1=CC=C2OC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020174693	0	42	-1.0	-41.80	350.35	7.73	-34.07
CC(C)C1=CC=C2OC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020174693	1	42	-1.0	-41.82	350.39	7.73	-34.09
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCOCC2=CO1	REAL300020174694	0	35	-1.0	-43.89	297.68	3.54	-40.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCOCC2=CO1	REAL300020174694	1	35	-1.0	-43.84	297.72	3.54	-40.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1	REAL300020174695	0	45	-1.0	-47.61	381.39	9.79	-37.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1	REAL300020174695	1	45	-1.0	-47.61	381.35	9.79	-37.82
CC1=CN=C(COCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020174696	0	36	-1.0	-45.82	318.01	1.98	-43.84
CC1=CN=C(COCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020174696	1	36	-1.0	-45.76	318.06	1.99	-43.77
COCC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020174697	0	33	-1.0	-39.90	304.26	2.38	-37.52
COCC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020174697	1	33	-1.0	-39.93	304.30	2.38	-37.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(NC(=O)C2CC2)=C1	REAL300020174698	0	40	-1.0	-45.32	345.11	5.65	-39.67
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(NC(=O)C2CC2)=C1	REAL300020174698	1	40	-1.0	-45.20	344.06	5.63	-39.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)S1	REAL300020174699	0	30	-1.0	-38.24	294.03	5.66	-32.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)S1	REAL300020174699	1	30	-1.0	-38.22	294.07	5.66	-32.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300020174700	0	49	0.0	-56.08	385.04	9.49	-46.59
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F	REAL300020174700	1	49	0.0	-61.16	390.38	9.26	-51.90
O=C(NC1=CC=CC=C1)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174701	0	44	-1.0	-47.62	372.24	7.48	-40.14
O=C(NC1=CC=CC=C1)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174701	1	44	-1.0	-47.61	372.28	7.49	-40.12
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C(C)C)O1	REAL300020174702	0	38	-1.0	-45.95	321.80	2.98	-42.97
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C(C)C)O1	REAL300020174702	1	38	-1.0	-45.93	321.84	2.98	-42.95
CC(C)(C)CCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174703	0	44	-1.0	-37.98	345.86	7.20	-30.78
CC(C)(C)CCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174703	1	44	-1.0	-37.97	345.91	7.20	-30.77
O=C(COC1=CC=C(CO)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174704	0	38	-1.0	-42.75	327.85	3.28	-39.47
O=C(COC1=CC=C(CO)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174704	1	38	-1.0	-42.78	327.90	3.29	-39.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	REAL300020174705	0	37	-1.0	-43.62	308.41	-2.77	-46.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	REAL300020174705	1	37	-1.0	-43.59	308.45	-2.77	-46.36
NS(=O)(=O)CCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174706	0	40	-1.0	-48.78	347.50	0.51	-48.27
NS(=O)(=O)CCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174706	1	40	-1.0	-48.78	347.55	0.51	-48.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CSC(C2=CC=CC=C2O)=N1	REAL300020174707	0	39	-1.0	-41.75	346.56	3.06	-38.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CSC(C2=CC=CC=C2O)=N1	REAL300020174707	1	39	-1.0	-41.68	346.60	3.07	-38.61
CN(C)S(=O)(=O)N(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174708	0	39	-1.0	-40.09	335.76	1.06	-39.03
CN(C)S(=O)(=O)N(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174708	1	39	-1.0	-40.01	335.82	1.07	-38.94
NS(=O)(=O)CCCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174709	0	43	-1.0	-49.02	368.85	1.30	-47.72
NS(=O)(=O)CCCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174709	1	43	-1.0	-49.02	368.90	1.31	-47.71
CCCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)S(N)(=O)=O	REAL300020174710	0	37	-1.0	-42.21	314.76	-0.15	-42.36
CCCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)S(N)(=O)=O	REAL300020174710	1	37	-1.0	-42.21	314.81	-0.14	-42.35
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174711	0	38	-1.0	-49.72	341.68	-0.38	-50.10
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174711	1	38	-1.0	-50.96	342.74	-0.35	-51.31
CN1C=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C21	REAL300020174712	0	35	-1.0	-47.35	307.01	6.03	-41.32
CN1C=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C21	REAL300020174712	1	35	-1.0	-47.33	306.96	6.03	-41.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C=CC(Br)=CC2=N1	REAL300020174713	0	33	-1.0	-49.64	313.34	6.57	-43.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C=CC(Br)=CC2=N1	REAL300020174713	1	33	-1.0	-49.70	313.30	6.57	-43.13
CNS(=O)(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020174714	0	43	-1.0	-41.45	355.10	0.60	-40.85
CNS(=O)(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020174714	1	43	-1.0	-41.42	355.15	0.60	-40.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2C=CC=NC2=C1	REAL300020174715	0	32	-1.0	-50.66	287.70	4.27	-46.39
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2C=CC=NC2=C1	REAL300020174715	1	32	-1.0	-50.74	287.66	4.27	-46.47
CC1=CC=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(Cl)N=C12	REAL300020174716	0	38	-1.0	-40.66	335.54	7.16	-33.50
CC1=CC=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(Cl)N=C12	REAL300020174716	1	38	-1.0	-40.69	335.50	7.15	-33.54
CS(=O)(=O)C1=NC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174717	0	34	-1.0	-56.42	316.71	0.20	-56.22
CS(=O)(=O)C1=NC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174717	1	34	-1.0	-56.42	316.67	0.20	-56.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCN(CC(F)F)C1	REAL300020174718	0	41	-1.0	-41.01	331.99	4.30	-36.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCN(CC(F)F)C1	REAL300020174718	1	41	-1.0	-40.98	332.05	4.30	-36.68
N#CC1=CC=C(N2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)C(F)=C1	REAL300020174719	0	43	-1.0	-39.40	364.41	6.09	-33.31
N#CC1=CC=C(N2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)C(F)=C1	REAL300020174719	1	43	-1.0	-39.38	364.45	6.09	-33.29
NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC(F)(F)F	REAL300020174720	0	36	-1.0	-40.42	321.28	3.27	-37.15
NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC(F)(F)F	REAL300020174720	1	36	-1.0	-40.33	321.33	3.27	-37.06
CC(C)(C)OC(=O)N1CCOCC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174721	0	51	-1.0	-46.43	392.99	4.85	-41.58
CC(C)(C)OC(=O)N1CCOCC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174721	1	51	-1.0	-46.39	393.03	4.86	-41.53
N#CC1=CC=C(N2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020174722	0	46	-1.0	-41.78	379.59	7.01	-34.77
N#CC1=CC=C(N2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020174722	1	46	-1.0	-41.72	379.63	7.01	-34.71
CC1=CC=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020174723	0	38	-1.0	-43.81	320.53	6.40	-37.41
CC1=CC=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020174723	1	38	-1.0	-43.78	320.58	6.40	-37.38
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174724	0	39	-1.0	-40.13	326.58	6.43	-33.70
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174724	1	39	-1.0	-40.14	326.64	6.43	-33.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300020174725	0	40	-1.0	-41.28	361.24	7.63	-33.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300020174725	1	40	-1.0	-41.32	361.19	7.63	-33.69
O=C(C=CC1=CC=C(F)C(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174726	0	34	-1.0	-41.79	308.71	6.79	-35.00
O=C(C=CC1=CC=C(F)C(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174726	1	34	-1.0	-41.75	308.76	6.79	-34.96
CCC1=CC=CC=C1OCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174727	0	43	-1.0	-39.48	357.69	7.28	-32.20
CCC1=CC=CC=C1OCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174727	1	43	-1.0	-39.52	357.74	7.29	-32.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC=CC(C(F)(F)F)=C1	REAL300020174728	0	37	-1.0	-41.95	332.32	5.09	-36.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC=CC(C(F)(F)F)=C1	REAL300020174728	1	37	-1.0	-41.91	332.37	5.10	-36.81
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1OC	REAL300020174729	0	41	-1.0	-40.58	337.65	5.52	-35.06
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1OC	REAL300020174729	1	41	-1.0	-40.75	337.94	5.54	-35.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL300020174730	0	33	-1.0	-37.26	310.28	6.62	-30.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL300020174730	1	33	-1.0	-37.26	310.32	6.62	-30.64
COCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)C=C1C	REAL300020174731	0	43	-1.0	-66.15	353.56	5.38	-60.77
COCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)C=C1C	REAL300020174731	1	43	-1.0	-66.15	353.60	5.38	-60.77
CC1=NC=C2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CN21	REAL300020174732	0	40	-1.0	-39.30	325.15	6.13	-33.17
CC1=NC=C2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CN21	REAL300020174732	1	40	-1.0	-39.31	325.19	6.13	-33.18
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CN21	REAL300020174732	1	41	0.0	-48.56	328.89	6.60	-41.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=N1	REAL300020174733	0	33	-1.0	-42.95	303.77	3.48	-39.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=N1	REAL300020174733	1	33	-1.0	-42.97	303.72	3.47	-39.50
CC1=NN=C(COCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020174734	0	35	-1.0	-46.90	321.79	3.23	-43.67
CC1=NN=C(COCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020174734	1	35	-1.0	-46.88	321.84	3.24	-43.64
CCC1=CC=C2OC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020174735	0	39	-1.0	-41.95	333.07	7.25	-34.70
CCC1=CC=C2OC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020174735	1	39	-1.0	-41.90	333.11	7.25	-34.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(Br)C(Cl)=C1	REAL300020174736	0	30	-1.0	-35.70	303.28	6.59	-29.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(Br)C(Cl)=C1	REAL300020174736	1	30	-1.0	-35.66	303.32	6.59	-29.07
CC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1O	REAL300020174737	0	36	-1.0	-41.75	311.52	4.48	-37.27
CC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1O	REAL300020174737	1	36	-1.0	-41.72	311.57	4.48	-37.24
CCOC(=O)CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020174738	0	46	-1.0	-46.50	390.27	7.78	-38.72
CCOC(=O)CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020174738	1	46	-1.0	-44.23	389.30	7.76	-36.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300020174739	0	52	0.0	-57.01	405.65	9.94	-47.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300020174739	1	52	0.0	-52.62	398.95	10.13	-42.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300020174739	1	52	0.0	-56.74	404.65	9.91	-46.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300020174739	1	52	0.0	-52.62	398.91	10.13	-42.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(SC2=NC=CC=N2)=N1	REAL300020174740	0	35	-1.0	-50.85	328.81	2.14	-48.71
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(SC2=NC=CC=N2)=N1	REAL300020174740	1	35	-1.0	-50.86	328.77	2.14	-48.72
COC(=O)CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020174741	0	43	-1.0	-46.39	368.41	6.86	-39.53
COC(=O)CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020174741	1	43	-1.0	-44.28	367.44	6.84	-37.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=CC=CN=C21	REAL300020174742	0	36	-1.0	-45.60	302.29	5.37	-40.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=CC=CN=C21	REAL300020174742	1	36	-1.0	-43.56	303.36	5.40	-38.16
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2)CC1	REAL300020174743	0	57	0.0	-55.10	414.80	6.69	-48.41
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2)CC1	REAL300020174743	1	57	0.0	-55.12	414.84	6.69	-48.43
CC(CN1C=CC2=CC=CC=C21)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174744	0	43	-1.0	-39.45	350.70	8.40	-31.05
CC(CN1C=CC2=CC=CC=C21)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174744	1	43	-1.0	-39.46	350.72	8.39	-31.07
CC(C)(C)OCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174745	0	42	-1.0	-39.41	337.46	5.12	-34.29
CC(C)(C)OCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174745	1	42	-1.0	-39.46	337.51	5.12	-34.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC([N+](=O)[O-])=NN1	REAL300020174746	0	29	-1.0	-35.13	273.81	3.63	-31.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300020174747	0	32	-2.0	-83.93	302.00	2.79	-81.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300020174747	1	32	-2.0	-83.89	302.04	2.79	-81.10
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(C(C)C)O1	REAL300020174748	0	39	-1.0	-41.27	327.34	6.49	-34.78
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(C(C)C)O1	REAL300020174748	1	39	-1.0	-41.27	327.39	6.49	-34.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(CO)C1=CC=C(Cl)C=C1	REAL300020174749	0	37	-1.0	-39.03	329.36	3.88	-35.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(CO)C1=CC=C(Cl)C=C1	REAL300020174749	1	37	-1.0	-39.02	329.41	3.89	-35.13
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(Br)C(=O)N1	REAL300020174750	0	33	-1.0	-42.40	301.82	3.63	-38.77
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(Br)C(=O)N1	REAL300020174750	1	33	-1.0	-42.43	301.86	3.65	-38.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=C(CC2=CC=CC=C2)O1	REAL300020174751	0	39	-1.0	-45.91	343.97	5.13	-40.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=C(CC2=CC=CC=C2)O1	REAL300020174751	1	39	-1.0	-45.97	343.92	5.13	-40.84
CC1=CSC(C(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174752	0	35	-1.0	-40.62	309.41	4.44	-36.18
CC1=CSC(C(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174752	1	35	-1.0	-40.59	309.46	4.44	-36.15
N#CC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174753	0	31	-1.0	-42.70	294.84	6.39	-36.31
N#CC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174753	1	31	-1.0	-42.73	294.88	6.39	-36.34
CC(C)CC1=CC=CC(C(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174754	0	48	-1.0	-38.98	382.00	9.34	-29.64
CC(C)CC1=CC=CC(C(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174754	1	48	-1.0	-39.00	382.04	9.34	-29.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC2CCCCC21	REAL300020174755	0	46	-1.0	-38.31	337.19	7.80	-30.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC2CCCCC21	REAL300020174755	1	46	-1.0	-38.28	337.25	7.80	-30.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCS(=O)(=O)C2=CC=CC=C21	REAL300020174756	0	40	-1.0	-43.94	340.49	3.96	-39.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCS(=O)(=O)C2=CC=CC=C21	REAL300020174756	1	40	-1.0	-43.94	340.57	3.96	-39.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C(F)(F)F)=C1	REAL300020174757	0	30	-1.0	-40.44	285.37	2.89	-37.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C(F)(F)F)=C1	REAL300020174757	1	30	-1.0	-40.33	285.41	2.89	-37.44
CC1=NC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=CS1	REAL300020174758	0	39	-1.0	-41.89	344.82	6.88	-35.01
CC1=NC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=CS1	REAL300020174758	1	39	-1.0	-41.89	344.77	6.87	-35.02
CN(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020174759	0	46	-1.0	-41.19	372.29	5.51	-35.68
CN(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020174759	1	46	-1.0	-41.28	372.34	5.51	-35.77
CC1=CC(CN2N=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C)=NO1	REAL300020174760	0	41	-1.0	-51.57	356.78	4.32	-47.25
CC1=CC(CN2N=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C)=NO1	REAL300020174760	1	41	-1.0	-51.51	356.82	4.32	-47.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC=C1Br	REAL300020174761	0	27	-1.0	-39.56	270.49	5.02	-34.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC=C1Br	REAL300020174761	1	27	-1.0	-39.57	270.54	5.02	-34.55
COC1=CC(C)=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174762	0	37	-1.0	-44.52	328.23	7.11	-37.41
COC1=CC(C)=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174762	1	37	-1.0	-44.68	327.27	7.08	-37.60
COC1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020174763	0	40	-1.0	-42.50	342.29	6.30	-36.20
COC1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020174763	1	40	-1.0	-42.43	342.34	6.31	-36.12
CCC(C)(C)C1CCC2(CC2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020174764	0	55	-1.0	-38.92	397.30	9.53	-29.39
CCC(C)(C)C1CCC2(CC2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020174764	1	55	-1.0	-38.88	397.35	9.53	-29.35
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CC1=CN=C(S(C)(=O)=O)N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174767	0	37	-1.0	-57.16	334.03	0.88	-56.28
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174767	1	37	-1.0	-57.14	333.90	0.87	-56.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020174768	0	37	-1.0	-40.52	314.05	7.51	-33.01
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O=C(CC1=CC=C2N=CSC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174771	1	35	-1.0	-41.22	316.27	5.52	-35.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300020174772	0	39	-1.0	-42.41	335.53	8.18	-34.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300020174772	1	39	-1.0	-42.45	335.58	8.20	-34.25
CNC1=NC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020174773	0	36	-1.0	-41.99	320.02	5.28	-36.71
CNC1=NC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020174773	1	36	-1.0	-42.01	319.98	5.28	-36.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C=CS1	REAL300020174774	0	27	-1.0	-39.83	267.36	5.00	-34.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=CS1	REAL300020174774	1	27	-1.0	-39.80	267.40	5.00	-34.80
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174775	0	47	-1.0	-41.16	387.53	10.04	-31.12
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174775	1	47	-1.0	-40.74	386.78	10.04	-30.70
CN(C)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NC2=CC=CC=C21	REAL300020174776	0	43	-1.0	-46.92	358.11	5.74	-41.18
CN(C)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NC2=CC=CC=C21	REAL300020174776	1	43	-1.0	-46.96	358.06	5.74	-41.22
CC1=CC(=O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN1C1CC1	REAL300020174777	0	40	-1.0	-63.22	330.06	6.76	-56.46
CC1=CC(=O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CN1C1CC1	REAL300020174777	1	40	-1.0	-63.15	330.11	6.76	-56.39
COC(=O)CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CO1	REAL300020174778	0	36	-1.0	-47.16	318.72	5.06	-42.10
COC(=O)CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CO1	REAL300020174778	1	36	-1.0	-47.14	318.76	5.06	-42.08
CN(C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020174779	0	40	-1.0	-41.78	333.20	3.39	-38.39
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020174779	1	41	0.0	-61.87	335.69	5.53	-56.34
CN(C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020174779	1	40	-1.0	-41.81	333.24	3.39	-38.42
NC1=NC(C2CCCC2)=NC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174780	0	43	-1.0	-39.21	346.72	5.09	-34.12
NC1=NC(C2CCCC2)=NC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174780	1	43	-1.0	-39.15	346.76	5.10	-34.05
O=C(CC1=COC2=CC=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174781	0	36	-1.0	-42.78	313.03	6.49	-36.29
O=C(CC1=COC2=CC=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174781	1	36	-1.0	-42.73	313.07	6.50	-36.23
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174782	0	43	-1.0	-41.31	364.02	5.47	-35.84
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174782	1	43	-1.0	-41.33	364.07	5.48	-35.85
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1Br	REAL300020174783	0	33	-1.0	-38.56	315.75	7.12	-31.44
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1Br	REAL300020174783	1	33	-1.0	-38.56	315.80	7.12	-31.44
CN1N=CC=C1COCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174784	0	37	-1.0	-43.55	321.43	4.14	-39.41
CN1N=CC=C1COCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174784	1	37	-1.0	-43.54	321.48	4.15	-39.39
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174785	0	45	-1.0	-39.86	377.57	9.16	-30.70
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174785	1	45	-1.0	-39.81	377.61	9.16	-30.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020174786	0	37	-2.0	-110.16	336.11	4.75	-105.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020174786	1	37	-2.0	-110.09	336.15	4.76	-105.33
CC1=CC2=C(C)C=CN=C2C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174787	0	41	-1.0	-48.98	339.86	7.50	-41.48
CC1=CC2=C(C)C=CN=C2C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174787	1	41	-1.0	-48.95	339.90	7.50	-41.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(=O)C2=CC=CC=C21	REAL300020174788	0	39	-1.0	-39.46	324.48	6.92	-32.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(=O)C2=CC=CC=C21	REAL300020174788	1	39	-1.0	-39.44	324.53	6.92	-32.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(F)=C1Br	REAL300020174789	0	30	-1.0	-36.33	299.18	6.64	-29.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(F)=C1Br	REAL300020174789	1	30	-1.0	-36.27	300.24	6.67	-29.60
CC1=CSC(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174790	0	38	-1.0	-42.15	335.61	5.45	-36.70
CC1=CSC(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174790	1	38	-1.0	-42.10	335.66	5.46	-36.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C=NC=C2C=C1	REAL300020174791	0	33	-1.0	-40.20	288.44	6.88	-33.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C=[NH+]C=C2C=C1	REAL300020174791	1	34	0.0	-57.01	291.91	7.39	-49.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C=NC=C2C=C1	REAL300020174791	1	33	-1.0	-40.23	288.48	6.90	-33.33
O=C(CSC1=NC=CN1CC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174792	0	44	-1.0	-44.97	388.26	9.06	-35.91
O=C(CSC1=NC=CN1CC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174792	1	44	-1.0	-45.02	388.21	9.04	-35.98
O=CC1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020174793	0	39	-1.0	-44.26	340.32	7.32	-36.94
O=CC1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020174793	1	39	-1.0	-44.22	340.36	7.33	-36.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C12C3C(=O)C4C1C1CC4C3C12	REAL300020174794	0	39	-1.0	-47.55	316.21	6.57	-40.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C12C3C(=O)C4C1C1CC4C3C12	REAL300020174794	1	39	-1.0	-50.28	315.26	6.54	-43.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(CC(F)(F)F)CC1	REAL300020174795	0	41	-1.0	-39.58	339.50	4.50	-35.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(CC(F)(F)F)CC1	REAL300020174795	1	41	-1.0	-39.59	339.54	4.50	-35.09
COCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC=N1	REAL300020174796	0	33	-1.0	-40.96	299.33	2.28	-38.68
COCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC=N1	REAL300020174796	1	33	-1.0	-40.97	299.37	2.29	-38.68
CS(=O)(=O)C1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174797	0	39	-1.0	-51.22	333.53	3.58	-47.64
CS(=O)(=O)C1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174797	1	39	-1.0	-51.24	333.58	3.59	-47.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(CC2=CC=CC=C2)=C1	REAL300020174798	0	40	-1.0	-46.78	347.67	6.25	-40.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(CC2=CC=CC=C2)=C1	REAL300020174798	1	40	-1.0	-46.72	347.71	6.26	-40.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC2=NNN=C21	REAL300020174799	0	31	-1.0	-41.69	277.38	2.14	-39.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC2=NNN=C21	REAL300020174799	1	31	-1.0	-41.66	277.42	2.14	-39.52
CC(C)C1=NN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020174800	0	34	-1.0	-45.46	307.94	3.57	-41.89
CC(C)C1=NN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020174800	1	34	-1.0	-45.43	307.98	3.57	-41.86
O=C(CCCC1=NC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174801	0	35	-1.0	-41.82	313.81	4.85	-36.97
O=C(CCCC1=NC=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174801	1	35	-1.0	-41.75	313.85	4.87	-36.88
CS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020174802	0	36	-1.0	-45.36	326.50	3.02	-42.34
CS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020174802	1	36	-1.0	-45.37	326.55	3.03	-42.34
CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1CCOC(CC)C1	REAL300020174803	0	48	-1.0	-38.72	364.84	3.86	-34.86
CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1CCOC(CC)C1	REAL300020174803	1	48	-1.0	-38.68	364.94	3.87	-34.81
CCN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1=CC=CC=C1Cl	REAL300020174804	0	44	-1.0	-40.20	364.90	6.59	-33.61
CCN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1=CC=CC=C1Cl	REAL300020174804	1	44	-1.0	-40.22	364.97	6.59	-33.63
O=C(CC1=CSC(N2CCOCC2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174805	0	42	-1.0	-43.86	357.99	2.95	-40.91
O=C(CC1=CSC(N2CCOCC2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174805	1	42	-1.0	-43.80	358.03	2.95	-40.85
CCCCCCCCC(O)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174806	0	54	-1.0	-39.10	429.20	6.95	-32.15
CCCCCCCCC(O)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174806	1	54	-1.0	-39.09	429.24	6.95	-32.14
CC(C)(C)OC(=O)N1CC2CCC1C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020174807	0	54	-1.0	-45.40	409.53	7.98	-37.42
CC(C)(C)OC(=O)N1CC2CCC1C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020174807	1	54	-1.0	-45.41	409.58	7.99	-37.42
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020174808	0	46	-1.0	-44.77	379.51	4.00	-40.77
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020174808	1	46	-1.0	-44.79	379.56	4.01	-40.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1	REAL300020174809	0	40	-1.0	-42.80	364.24	7.14	-35.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1	REAL300020174809	1	40	-1.0	-42.79	364.19	7.14	-35.65
CC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1(Cl)Cl	REAL300020174810	0	33	-1.0	-38.22	305.74	6.12	-32.10
CC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1(Cl)Cl	REAL300020174810	1	33	-1.0	-38.20	305.80	6.13	-32.07
COCC1=NN(C)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174811	0	37	-1.0	-41.76	318.32	2.87	-38.89
COCC1=NN(C)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174811	1	37	-1.0	-41.75	318.36	2.87	-38.88
COC1=CC=CC=C1OC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020174812	0	44	-1.0	-47.14	377.88	6.52	-40.62
COC1=CC=CC=C1OC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020174812	1	44	-1.0	-47.10	377.84	6.52	-40.58
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020174813	0	30	-1.0	-42.84	283.28	3.63	-39.21
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020174813	1	30	-1.0	-42.86	283.23	3.63	-39.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=NC=C2S1	REAL300020174814	0	32	-1.0	-41.29	294.39	5.10	-36.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=NC=C2S1	REAL300020174814	1	32	-1.0	-41.12	295.36	5.10	-36.02
CC1(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCOCC1	REAL300020174815	0	41	-1.0	-39.54	322.73	4.81	-34.73
CC1(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCOCC1	REAL300020174815	1	41	-1.0	-39.52	322.77	4.82	-34.70
N#CC1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174816	0	31	-1.0	-44.16	286.89	5.95	-38.21
N#CC1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174816	1	31	-1.0	-44.14	286.92	5.95	-38.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2=CN=CO2)=C1	REAL300020174817	0	36	-1.0	-44.06	316.09	3.90	-40.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2=CN=CO2)=C1	REAL300020174817	1	36	-1.0	-44.04	316.05	3.89	-40.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2OCCO2)C=C1	REAL300020174818	0	39	-1.0	-42.90	327.92	5.09	-37.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2OCCO2)C=C1	REAL300020174818	1	39	-1.0	-42.92	327.96	5.10	-37.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300020174819	0	35	-2.0	-112.92	308.26	5.51	-107.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300020174819	1	35	-2.0	-112.91	308.31	5.51	-107.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(O)C2=CC=CC=C2C=N1	REAL300020174819	1	36	-1.0	-49.75	311.82	4.50	-45.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(O)C2=CC=CC=C2C=N1	REAL300020174819	1	36	-1.0	-49.76	311.86	4.50	-45.26
CC1=NN=C(CN2N=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C)O1	REAL300020174820	0	40	-1.0	-52.88	351.96	-0.88	-53.76
CC1=NN=C(CN2N=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C)O1	REAL300020174820	1	40	-1.0	-52.81	352.01	-0.87	-53.68
CCC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020174821	0	38	-1.0	-43.70	321.51	5.92	-37.78
CCC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020174821	1	38	-1.0	-43.66	321.55	5.92	-37.74
CN1C2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)S2)C(=O)N(C)C1=O	REAL300020174822	0	39	-1.0	-39.59	347.35	4.95	-34.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(N2CCOCC2)C(F)=C1	REAL300020174823	0	43	-1.0	-38.51	357.53	4.57	-33.94
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(N2CCOCC2)C(F)=C1	REAL300020174823	1	43	-1.0	-38.51	357.57	4.57	-33.94
COC1=CC=C(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C2)C=C1	REAL300020174824	0	44	-1.0	-44.34	377.00	5.91	-38.43
COC1=CC=C(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2)C=C1	REAL300020174824	1	44	-1.0	-44.37	376.96	5.91	-38.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)=CC1=CC=C(C(F)(F)F)C=C1	REAL300020174825	0	37	-1.0	-40.37	336.20	7.66	-32.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)=CC1=CC=C(C(F)(F)F)C=C1	REAL300020174825	1	37	-1.0	-40.41	337.24	7.70	-32.71
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C1=CC=CN=C1	REAL300020174826	0	39	-1.0	-48.34	335.18	4.70	-43.64
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C1=CC=CN=C1	REAL300020174826	1	39	-1.0	-48.36	335.12	4.70	-43.66
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NC=C1C(N)=O	REAL300020174827	0	36	-1.0	-44.00	309.67	1.23	-42.77
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NC=C1C(N)=O	REAL300020174827	1	36	-1.0	-43.93	309.73	1.23	-42.70
COC1=CC=CC(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C2)=C1	REAL300020174828	0	44	-1.0	-45.16	377.03	5.93	-39.23
COC1=CC=CC(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2)=C1	REAL300020174828	1	44	-1.0	-45.17	376.98	5.92	-39.25
CC1CC2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2O1	REAL300020174829	0	38	-1.0	-46.42	317.34	6.91	-39.51
CC1CC2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2O1	REAL300020174829	1	38	-1.0	-46.38	317.39	6.91	-39.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2CC2)N=N1	REAL300020174830	0	36	-1.0	-48.95	315.53	4.22	-44.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2CC2)N=N1	REAL300020174830	1	36	-1.0	-49.00	315.48	4.22	-44.78
O=C(CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174831	0	46	-1.0	-44.18	385.65	9.58	-34.60
O=C(CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174831	1	46	-1.0	-44.18	385.60	9.58	-34.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CN=C2S1	REAL300020174832	0	32	-1.0	-46.87	294.40	4.98	-41.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CN=C2S1	REAL300020174832	1	32	-1.0	-46.72	295.36	5.00	-41.72
N#CC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020174833	0	35	-1.0	-40.26	334.53	6.84	-33.42
N#CC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Br	REAL300020174833	1	35	-1.0	-40.22	334.58	6.84	-33.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=NC=C2C=C1	REAL300020174834	0	35	-1.0	-40.69	302.51	5.97	-34.72
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=NC=C2C=C1	REAL300020174834	1	35	-1.0	-40.72	302.47	5.97	-34.75
CC1=CC=C(Br)C=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174835	0	36	-1.0	-39.20	323.20	7.23	-31.97
CC1=CC=C(Br)C=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174835	1	36	-1.0	-39.19	323.24	7.24	-31.95
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=C1CCC2	REAL300020174836	0	40	-1.0	-42.88	322.60	7.92	-34.96
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=C1CCC2	REAL300020174836	1	40	-1.0	-42.86	322.65	7.92	-34.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1	REAL300020174837	0	39	-1.0	-38.10	343.89	8.17	-29.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1	REAL300020174837	1	39	-1.0	-38.06	343.96	8.18	-29.88
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C(C)C	REAL300020174838	0	39	-1.0	-48.86	327.64	5.26	-43.60
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C(C)C	REAL300020174838	1	39	-1.0	-48.81	327.68	5.26	-43.55
CCC(CC(F)(F)F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174839	0	35	-1.0	-36.50	294.27	5.28	-31.22
CCC(CC(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174839	1	35	-1.0	-36.51	294.34	5.27	-31.24
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=CN(C)N=C1	REAL300020174840	0	39	-1.0	-49.77	337.74	3.42	-46.35
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=CN(C)N=C1	REAL300020174840	1	39	-1.0	-49.81	337.71	3.42	-46.39
CC1=NN=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020174841	0	31	-1.0	-41.59	286.32	2.90	-38.69
CC1=NN=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020174841	1	31	-1.0	-41.54	286.36	2.90	-38.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL300020174842	0	37	-1.0	-40.40	327.29	7.90	-32.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL300020174842	1	37	-1.0	-40.40	327.33	7.90	-32.50
CC1=CC=C(F)C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174843	0	36	-1.0	-40.63	311.94	6.84	-33.79
CC1=CC=C(F)C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174843	1	36	-1.0	-40.61	311.98	6.84	-33.77
CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Br)=C1	REAL300020174844	0	36	-1.0	-39.31	324.76	7.31	-32.00
CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Br)=C1	REAL300020174844	1	36	-1.0	-39.31	324.80	7.31	-32.00
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174845	0	39	-1.0	-43.04	336.12	5.22	-37.82
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174845	1	39	-1.0	-43.02	336.17	5.22	-37.80
CC1=CN=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174846	0	38	-1.0	-40.63	323.86	5.83	-34.80
CC1=CN=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174846	1	38	-1.0	-40.68	323.82	5.82	-34.86
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC(C(C)C)=N1	REAL300020174847	0	38	-1.0	-41.89	321.77	2.89	-39.00
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC(C(C)C)=N1	REAL300020174847	1	38	-1.0	-41.85	321.81	2.89	-38.96
CC(F)(F)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174848	0	36	-1.0	-39.01	314.67	7.01	-32.00
CC(F)(F)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174848	1	36	-1.0	-39.02	314.71	7.02	-32.00
CC(C)CC(CC(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174849	0	47	-1.0	-36.93	350.87	8.13	-28.80
CC(C)CC(CC(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174849	1	47	-1.0	-36.90	350.90	8.13	-28.77
O=C(CC1COC2=CC=CC=C2O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174850	0	39	-1.0	-44.55	329.27	6.07	-38.48
O=C(CC1COC2=CC=CC=C2O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174850	1	39	-1.0	-44.51	329.32	6.08	-38.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(OC(F)F)=C1	REAL300020174851	0	33	-1.0	-40.72	300.03	2.92	-37.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(OC(F)F)=C1	REAL300020174851	1	33	-1.0	-40.69	298.97	2.88	-37.81
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1OC	REAL300020174852	0	41	-1.0	-44.12	361.32	5.90	-38.22
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1OC	REAL300020174852	1	41	-1.0	-44.06	361.36	5.90	-38.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC12CCSCC2	REAL300020174853	0	38	-1.0	-39.42	315.99	6.68	-32.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC12CCSCC2	REAL300020174853	1	38	-1.0	-39.41	316.04	6.69	-32.72
CC1=NC2=CC=NN2C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174854	0	35	-1.0	-40.89	299.55	5.03	-35.86
CC1=NC2=CC=NN2C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174854	1	35	-1.0	-40.88	299.61	5.03	-35.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC1C1=CC=CC=C1Cl	REAL300020174855	0	37	-1.0	-38.03	319.32	7.83	-30.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC1C1=CC=CC=C1Cl	REAL300020174855	1	37	-1.0	-38.05	319.37	7.83	-30.22
CC(C)(C)OC(=O)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2(CC2)C1	REAL300020174856	0	51	-1.0	-38.84	403.37	6.70	-32.14
CC(C)(C)OC(=O)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2(CC2)C1	REAL300020174856	1	51	-1.0	-38.83	403.41	6.70	-32.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2NC=CC2=C1	REAL300020174857	0	33	-1.0	-45.26	287.87	4.75	-40.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2NC=CC2=C1	REAL300020174857	1	33	-1.0	-45.22	287.91	4.76	-40.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1=CC=CC=C1Br	REAL300020174858	0	33	-1.0	-44.02	310.43	6.62	-37.40
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CC=CC=C1Br	REAL300020174858	1	33	-1.0	-43.96	310.36	6.63	-37.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(S(=O)(=O)C2CC2)C=C1	REAL300020174859	0	40	-1.0	-45.95	352.07	4.76	-41.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(S(=O)(=O)C2CC2)C=C1	REAL300020174859	1	40	-1.0	-45.89	352.11	4.76	-41.13
O=C(COC1=C(Cl)C=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174860	0	34	-1.0	-38.99	347.77	7.66	-31.33
O=C(COC1=C(Cl)C=C(Cl)C=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174860	1	34	-1.0	-39.02	347.82	7.67	-31.35
CC(=O)C1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020174861	0	34	-1.0	-43.73	305.73	2.63	-41.10
CC(=O)C1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020174861	1	34	-1.0	-43.74	305.78	2.64	-41.10
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)SC=C1	REAL300020174862	0	27	-1.0	-39.28	270.47	5.12	-34.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)SC=C1	REAL300020174862	1	27	-1.0	-39.28	270.51	5.12	-34.16
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC2=C1OC(F)(F)O2	REAL300020174863	0	36	-1.0	-34.86	316.65	5.27	-29.59
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC2=C1OC(F)(F)O2	REAL300020174863	1	36	-1.0	-34.86	316.70	5.27	-29.59
COC1=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020174864	0	37	-1.0	-39.35	330.67	5.98	-33.37
COC1=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020174864	1	37	-1.0	-39.34	330.71	5.99	-33.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2)N1	REAL300020174865	0	38	-1.0	-40.18	312.13	5.68	-34.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2)N1	REAL300020174865	1	38	-1.0	-40.15	312.18	5.68	-34.47
O=C(CCC1CCC(=O)N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174866	0	37	-1.0	-43.42	308.82	2.62	-40.80
O=C(CCC1CCC(=O)N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174866	1	37	-1.0	-43.45	308.87	2.62	-40.83
O=C(CC1=CC=C(O)C(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174867	0	34	-1.0	-40.19	302.38	3.36	-36.83
O=C(CC1=CC=C(O)C(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174867	1	34	-1.0	-40.16	302.42	3.36	-36.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC=C(Cl)C(Cl)=C1	REAL300020174868	0	34	-1.0	-36.06	324.27	5.05	-31.01
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC=C(Cl)C(Cl)=C1	REAL300020174868	1	34	-1.0	-36.08	324.31	5.07	-31.01
CN1N=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174869	0	33	-1.0	-34.56	297.74	4.45	-30.11
CN1N=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174869	1	33	-1.0	-34.60	297.67	4.44	-30.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCC1(F)F	REAL300020174870	0	36	-1.0	-42.39	294.52	5.92	-36.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCCC1(F)F	REAL300020174870	1	36	-1.0	-42.37	294.56	5.92	-36.45
CC1=CC(F)=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020174871	0	36	-1.0	-40.42	317.26	6.88	-33.54
CC1=CC(F)=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020174871	1	36	-1.0	-40.36	317.31	6.88	-33.48
COC1COCCC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174872	0	41	-1.0	-38.31	327.67	3.09	-35.22
COC1COCCC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174872	1	41	-1.0	-38.37	327.71	3.09	-35.28
CN1N=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020174873	0	30	-1.0	-40.34	280.33	3.60	-36.74
CN1N=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020174873	1	30	-1.0	-40.42	280.28	3.60	-36.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)N1	REAL300020174874	0	31	-1.0	-37.52	289.72	4.22	-33.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)N1	REAL300020174874	1	31	-1.0	-37.51	289.77	4.22	-33.29
CC(C)(C)C(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020174875	0	45	-1.0	-53.21	371.74	6.06	-47.15
CC(C)(C)C(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020174875	1	45	-1.0	-53.29	371.70	6.06	-47.23
CC1=CC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020174876	0	36	-1.0	-41.30	315.83	7.31	-33.99
CC1=CC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Br	REAL300020174876	1	36	-1.0	-41.29	315.87	7.32	-33.97
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1Cl	REAL300020174877	0	33	-1.0	-38.72	307.88	7.03	-31.69
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1Cl	REAL300020174877	1	33	-1.0	-38.74	307.93	7.04	-31.70
CCOC1=NOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174878	0	33	-1.0	-39.49	295.07	1.86	-37.63
CCOC1=NOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174878	1	33	-1.0	-39.54	295.03	1.86	-37.68
CC(C)(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)[N+](=O)[O-]	REAL300020174879	0	37	-1.0	-40.17	309.51	5.21	-34.96
CC(C)(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)[N+](=O)[O-]	REAL300020174879	1	37	-1.0	-40.12	309.56	5.21	-34.91
CC(C)(C)C(=O)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174880	0	43	-1.0	-43.56	349.71	6.48	-37.08
CC(C)(C)C(=O)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174880	1	43	-1.0	-43.55	349.75	6.48	-37.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCCCC2=NO1	REAL300020174881	0	36	-1.0	-43.21	301.59	5.25	-37.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCCCC2=NO1	REAL300020174881	1	36	-1.0	-43.20	301.63	5.25	-37.95
O=C(CC1CC(=O)NC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174882	0	33	-1.0	-47.07	284.87	2.18	-44.89
O=C(CC1CC(=O)NC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174882	1	33	-1.0	-43.69	285.94	2.23	-41.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(I)=N1	REAL300020174883	0	26	-1.0	-43.93	276.07	3.46	-40.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(I)=N1	REAL300020174883	1	26	-1.0	-43.96	276.03	3.46	-40.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(NC2=CC(F)=CC(F)=C2)=N1	REAL300020174884	0	38	-1.0	-42.42	353.01	6.06	-36.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(NC2=CC(F)=CC(F)=C2)=N1	REAL300020174884	1	38	-1.0	-42.40	352.96	6.04	-36.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=CNC2=CC=N1	REAL300020174885	0	33	-1.0	-51.20	286.90	3.77	-47.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=CNC2=CC=N1	REAL300020174885	1	33	-1.0	-51.23	286.95	3.77	-47.46
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174886	0	39	-1.0	-43.76	351.23	3.76	-40.00
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174886	1	39	-1.0	-43.73	351.28	3.76	-39.97
CCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=CC=CC=C21	REAL300020174887	0	39	-1.0	-46.41	331.97	7.32	-39.09
CCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=CC=CC=C21	REAL300020174887	1	39	-1.0	-46.47	331.00	7.29	-39.18
COCCN1C=C(N2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=O)C=N1	REAL300020174888	0	48	-1.0	-41.08	401.28	4.12	-36.96
COCCN1C=C(N2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)C=N1	REAL300020174888	1	48	-1.0	-41.06	401.24	4.12	-36.94
CC(OCCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174889	0	43	-1.0	-40.44	361.60	7.92	-32.52
CC(OCCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174889	1	43	-1.0	-40.43	361.64	7.92	-32.51
C=CCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174890	0	41	-1.0	-40.45	350.40	6.96	-33.49
C=CCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174890	1	41	-1.0	-40.44	350.44	6.98	-33.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=NC(OC(F)F)=C1	REAL300020174891	0	33	-1.0	-40.07	316.90	3.33	-36.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=NC(OC(F)F)=C1	REAL300020174891	1	33	-1.0	-40.09	316.85	3.32	-36.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1CCCC2	REAL300020174892	0	40	-1.0	-41.47	317.05	7.96	-33.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1CCCC2	REAL300020174892	1	40	-1.0	-41.40	317.10	7.97	-33.43
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300020174893	0	40	-1.0	-48.69	348.67	2.84	-45.85
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300020174893	1	40	-1.0	-48.66	348.71	2.84	-45.82
COC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174894	0	40	-1.0	-39.47	339.78	6.99	-32.48
COC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174894	1	40	-1.0	-39.42	339.82	6.99	-32.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OC(F)(F)OC2=C1	REAL300020174895	0	33	-1.0	-35.46	301.06	4.59	-30.87
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OC(F)(F)OC2=C1	REAL300020174895	1	33	-1.0	-35.42	301.10	4.58	-30.84
CCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(OC)=C1	REAL300020174896	0	44	-1.0	-42.85	361.55	6.97	-35.88
CCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(OC)=C1	REAL300020174896	1	44	-1.0	-42.88	361.59	6.98	-35.90
CCOC(=O)C1=C(C)NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174897	0	40	-1.0	-38.95	345.01	5.38	-33.57
CCOC(=O)C1=C(C)NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174897	1	40	-1.0	-38.90	345.06	5.38	-33.52
CC(=O)NC[C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC(C)C	REAL300020174898	0	48	-1.0	-44.55	379.76	4.88	-39.67
CC(=O)NC[C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC(C)C	REAL300020174898	1	48	-1.0	-44.56	379.80	4.88	-39.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC1C1=CC=C(Cl)C=C1F	REAL300020174899	0	40	-1.0	-37.44	345.64	8.29	-29.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC1C1=CC=C(Cl)C=C1F	REAL300020174899	1	40	-1.0	-37.37	345.63	8.29	-29.08
CCOCC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020174900	0	39	-1.0	-40.41	343.12	3.97	-36.44
CCOCC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020174900	1	39	-1.0	-40.40	343.17	3.97	-36.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=C1C(=O)CCC2	REAL300020174901	0	36	-1.0	-49.99	306.82	6.54	-43.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=C1C(=O)CCC2	REAL300020174901	1	36	-1.0	-49.95	306.86	6.54	-43.41
O=C(CC1=NC(C2=CC=CC=C2)=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174902	0	39	-1.0	-44.28	348.25	6.87	-37.41
O=C(CC1=NC(C2=CC=CC=C2)=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174902	1	39	-1.0	-44.30	348.21	6.86	-37.44
CC=CCOC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174903	0	44	-1.0	-40.69	371.10	7.80	-32.89
CC=CCOC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174903	1	44	-1.0	-40.66	371.14	7.81	-32.85
CN(C)C1=NC(Cl)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020174904	0	34	-1.0	-42.14	318.95	4.81	-37.33
CN(C)C1=NC(Cl)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020174904	1	34	-1.0	-42.18	318.90	4.81	-37.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(=O)OCC2=CC=CC=C2)N1	REAL300020174905	0	44	-1.0	-39.77	386.38	7.78	-31.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(=O)OCC2=CC=CC=C2)N1	REAL300020174905	1	44	-1.0	-39.75	386.42	7.78	-31.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(CCC2=CC=CC=C2)C=C1	REAL300020174906	0	43	-1.0	-49.14	368.88	7.87	-41.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(CCC2=CC=CC=C2)C=C1	REAL300020174906	1	43	-1.0	-49.12	368.84	7.87	-41.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C2=CC=CC=C2)C1	REAL300020174907	0	42	-1.0	-39.62	337.46	5.66	-33.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C2=CC=CC=C2)C1	REAL300020174907	1	42	-1.0	-39.60	337.50	5.67	-33.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300020174908	0	39	-1.0	-46.11	350.85	6.11	-40.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300020174908	1	39	-1.0	-46.08	350.90	6.11	-39.97
CC1=NN=NN1C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020174909	0	38	-1.0	-43.22	333.32	5.58	-37.64
CC1=NN=NN1C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020174909	1	38	-1.0	-43.16	333.39	5.59	-37.57
O=C(CC1=C(C2=CC=CC=C2)N=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174910	0	39	-1.0	-42.07	341.12	6.54	-35.53
O=C(CC1=C(C2=CC=CC=C2)N=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174910	1	39	-1.0	-42.05	341.07	6.53	-35.52
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174911	0	46	-1.0	-46.53	399.87	6.14	-40.39
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174911	1	46	-1.0	-46.57	399.92	6.16	-40.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1CC(F)(F)F	REAL300020174912	0	33	-1.0	-38.95	291.52	5.16	-33.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1CC(F)(F)F	REAL300020174912	1	33	-1.0	-38.97	291.49	5.16	-33.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(Br)C=C1F	REAL300020174913	0	30	-1.0	-37.43	302.12	6.64	-30.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(Br)C=C1F	REAL300020174913	1	30	-1.0	-37.31	302.17	6.64	-30.67
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174914	0	39	-1.0	-41.64	340.94	6.82	-34.82
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174914	1	39	-1.0	-41.65	340.99	6.83	-34.82
COC1=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1O	REAL300020174915	0	38	-1.0	-41.50	325.39	3.26	-38.24
COC1=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1O	REAL300020174915	1	38	-1.0	-41.49	325.44	3.26	-38.23
CC(OCC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174916	0	40	-1.0	-40.53	346.24	7.27	-33.26
CC(OCC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174916	1	40	-1.0	-40.56	346.29	7.27	-33.29
C[Si](C)(C)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174917	0	41	-1.0	-39.74	341.10	8.57	-31.17
C[Si](C)(C)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174917	1	41	-1.0	-39.76	341.15	8.57	-31.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(=O)N1	REAL300020174918	0	33	-1.0	-36.65	302.89	3.33	-33.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(=O)N1	REAL300020174918	1	33	-1.0	-36.64	303.92	3.36	-33.28
O=C(CCC1=CC=CC=C1N1CCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174919	0	49	-1.0	-39.48	392.86	6.39	-33.09
O=C(CCC1=CC=CC=C1N1CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174919	1	49	-1.0	-39.47	392.91	6.40	-33.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(F)C(Br)=C1	REAL300020174920	0	29	-1.0	-35.85	283.56	4.24	-31.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(F)C(Br)=C1	REAL300020174920	1	29	-1.0	-35.80	282.51	4.21	-31.59
CN1C=C(C=C(C#N)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020174921	0	35	-1.0	-46.82	312.64	4.62	-42.20
CN1C=C(C=C(C#N)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020174921	1	35	-1.0	-46.73	312.68	4.63	-42.10
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174922	0	43	-1.0	-42.08	361.24	6.47	-35.61
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174922	1	43	-1.0	-42.04	361.28	6.47	-35.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=NC=CN2C1	REAL300020174923	0	37	-1.0	-39.30	305.56	5.57	-33.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=NC=CN2C1	REAL300020174923	1	37	-1.0	-39.25	305.60	5.57	-33.68
N#CC1=C(F)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020174924	0	31	-1.0	-36.01	294.10	5.94	-30.07
N#CC1=C(F)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020174924	1	31	-1.0	-35.98	294.14	5.95	-30.03
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174925	0	37	-1.0	-42.72	317.19	6.70	-36.02
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174925	1	37	-1.0	-42.74	317.24	6.71	-36.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC(O)CO)N=C1	REAL300020174926	0	38	-1.0	-49.95	330.35	-1.37	-51.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC(O)CO)N=C1	REAL300020174926	1	38	-1.0	-49.96	330.30	-1.37	-51.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1Br	REAL300020174927	0	30	-1.0	-36.24	300.32	6.67	-29.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1Br	REAL300020174927	1	30	-1.0	-36.23	300.36	6.68	-29.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(CCN2C=CC=N2)C=C1	REAL300020174928	0	40	-1.0	-50.72	349.86	5.07	-45.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(CCN2C=CC=N2)C=C1	REAL300020174928	1	40	-1.0	-52.27	350.82	5.10	-47.17
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174929	0	52	-1.0	-40.14	404.81	6.96	-33.18
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174929	1	52	-1.0	-40.09	404.88	6.96	-33.13
CCN1N=C(C)C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020174930	0	42	-1.0	-43.09	347.81	5.74	-37.35
CCN1N=C(C)C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020174930	1	42	-1.0	-43.11	347.85	5.74	-37.37
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC(F)=C2N=C1	REAL300020174931	0	35	-1.0	-46.72	309.09	5.95	-40.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC(F)=C2N=C1	REAL300020174931	1	35	-1.0	-46.80	309.04	5.95	-40.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=C(Cl)C=C2)=C1	REAL300020174932	0	37	-1.0	-39.53	346.57	8.58	-30.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=C(Cl)C=C2)=C1	REAL300020174932	1	37	-1.0	-39.58	346.62	8.58	-31.00
CC1=NN(C(C)C)C(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174933	0	45	-1.0	-43.24	368.62	6.45	-36.79
CC1=NN(C(C)C)C(C)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174933	1	45	-1.0	-43.22	368.67	6.45	-36.77
CSC1=NC=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174934	0	32	-1.0	-43.65	312.27	4.69	-38.96
CSC1=NC=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174934	1	32	-1.0	-43.65	312.22	4.67	-38.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2OCCCN2N=C1	REAL300020174935	0	35	-1.0	-46.63	298.22	2.64	-43.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2OCCCN2N=C1	REAL300020174935	1	35	-1.0	-46.68	298.17	2.64	-44.04
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020174936	0	43	-1.0	-38.77	366.92	8.89	-29.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020174936	1	43	-1.0	-38.79	366.97	8.90	-29.89
COC1=CC(C(F)(F)F)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174937	0	37	-1.0	-40.23	327.83	6.94	-33.29
COC1=CC(C(F)(F)F)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174937	1	37	-1.0	-40.21	327.88	6.94	-33.27
CCC1=C(Br)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020174938	0	33	-1.0	-38.09	316.27	6.61	-31.48
CCC1=C(Br)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020174938	1	33	-1.0	-38.01	316.30	6.62	-31.39
CC1=CC(C#N)=CN=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174939	0	33	-1.0	-42.48	295.42	4.84	-37.64
CC1=CC(C#N)=CN=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174939	1	33	-1.0	-42.50	295.37	4.84	-37.66
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020174940	0	37	-1.0	-39.70	322.71	7.37	-32.33
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020174940	1	37	-1.0	-39.65	321.73	7.34	-32.31
COC1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020174941	0	40	-1.0	-38.80	319.01	4.70	-34.10
COC1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174941	1	40	-1.0	-38.76	319.04	4.70	-34.06
O=C(CC1=CSC=C1Br)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174942	0	30	-1.0	-39.75	294.48	5.62	-34.13
O=C(CC1=CSC=C1Br)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174942	1	30	-1.0	-39.72	294.52	5.62	-34.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL300020174943	0	42	-1.0	-48.55	364.59	6.43	-42.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL300020174943	1	42	-1.0	-48.52	364.55	6.43	-42.09
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(OCC2CCCO2)CC1	REAL300020174944	0	51	-1.0	-42.08	398.35	6.05	-36.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(OCC2CCCO2)CC1	REAL300020174944	1	51	-1.0	-42.00	398.41	6.05	-35.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)NC(=O)CNC2=O	REAL300020174945	0	39	-1.0	-43.70	335.96	1.48	-42.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)NC(=O)CNC2=O	REAL300020174945	1	39	-1.0	-42.65	334.98	1.46	-41.19
CN(C)C1=CC(Br)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174946	0	38	-1.0	-41.40	334.27	6.49	-34.91
CN(C)C1=CC(Br)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174946	1	38	-1.0	-41.45	334.31	6.49	-34.96
CN(C)C1=CC(C#N)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174947	0	39	-1.0	-43.27	334.78	6.28	-36.99
CN(C)C1=CC(C#N)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174947	1	39	-1.0	-43.30	334.83	6.28	-37.02
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=NN(C)C=C1	REAL300020174948	0	39	-1.0	-51.69	338.93	4.59	-47.10
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=NN(C)C=C1	REAL300020174948	1	39	-1.0	-51.74	338.89	4.59	-47.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=CN=CN2C1	REAL300020174949	0	37	-1.0	-38.81	304.86	6.31	-32.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=CN=CN2C1	REAL300020174949	1	37	-1.0	-38.85	304.90	6.31	-32.54
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174950	0	45	0.0	-66.89	362.33	8.24	-58.65
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174950	1	45	0.0	-66.86	362.38	8.23	-58.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2=CC=CC=C2C1	REAL300020174951	0	37	-1.0	-39.33	307.45	7.19	-32.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2=CC=CC=C2C1	REAL300020174951	1	37	-1.0	-39.32	307.51	7.19	-32.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)N1CCN(C2=CC=CC=C2)CC1	REAL300020174952	0	46	-1.0	-43.28	367.09	4.67	-38.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)N1CCN(C2=CC=CC=C2)CC1	REAL300020174952	1	46	-1.0	-43.26	367.13	4.67	-38.59
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=CN2C=CN=C12	REAL300020174953	0	32	-1.0	-52.60	285.36	4.47	-48.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=CN2C=CN=C12	REAL300020174953	1	32	-1.0	-52.60	285.32	4.47	-48.13
CC(C)(C)N1C=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174954	0	38	-1.0	-49.55	320.90	5.72	-43.83
CC(C)(C)N1C=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174954	1	38	-1.0	-49.52	320.86	5.72	-43.80
COC1=CC=CC(C(=O)CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174955	0	45	-1.0	-48.01	378.72	6.86	-41.15
COC1=CC=CC(C(=O)CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174955	1	45	-1.0	-48.00	378.76	6.88	-41.12
NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL300020174956	0	38	-1.0	-45.03	328.22	5.38	-39.65
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL300020174956	1	38	-1.0	-45.07	328.18	5.38	-39.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300020174957	0	37	-2.0	-110.44	346.43	5.20	-105.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300020174957	1	37	-2.0	-110.39	346.47	5.20	-105.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300020174958	0	37	-2.0	-109.71	339.44	4.73	-104.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300020174958	1	37	-2.0	-108.85	338.47	4.72	-104.13
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C(F)(F)F)=N1	REAL300020174959	0	32	-1.0	-35.81	306.69	4.36	-31.45
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C(F)(F)F)=N1	REAL300020174959	1	32	-1.0	-35.75	306.73	4.36	-31.39
NC1=NC(Cl)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174960	0	31	-1.0	-36.43	283.24	3.26	-33.17
NC1=NC(Cl)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174960	1	31	-1.0	-36.48	283.20	3.24	-33.24
O=C(CC1=CNC2=CC=CC(Cl)=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174961	0	37	-1.0	-43.54	329.69	6.55	-36.99
O=C(CC1=CNC2=CC=CC(Cl)=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174961	1	37	-1.0	-43.45	329.74	6.55	-36.90
CCC1=CC=C(C#CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174962	0	38	-1.0	-42.44	336.14	8.28	-34.16
CCC1=CC=C(C#CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174962	1	38	-1.0	-42.34	336.18	8.28	-34.06
N#CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL300020174963	0	33	-1.0	-35.50	313.62	4.97	-30.53
N#CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL300020174963	1	33	-1.0	-35.52	314.58	5.00	-30.52
CC(C)C(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020174964	0	42	-1.0	-45.08	353.39	5.51	-39.57
CC(C)C(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020174964	1	42	-1.0	-45.19	354.34	5.54	-39.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)F)C(F)=C1	REAL300020174965	0	34	-1.0	-40.24	306.86	5.14	-35.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)F)C(F)=C1	REAL300020174965	1	34	-1.0	-40.22	306.91	5.15	-35.07
CC1CCCN(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=N2)C1	REAL300020174966	0	47	-1.0	-39.25	373.39	6.75	-32.50
CC1CCCN(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=N2)C1	REAL300020174966	1	47	-1.0	-39.23	373.34	6.75	-32.48
CN1C=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174967	0	30	-1.0	-46.84	285.37	3.88	-42.96
CN1C=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174967	1	30	-1.0	-46.77	286.34	3.89	-42.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1Cl	REAL300020174968	0	32	-1.0	-39.36	296.94	6.50	-32.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1Cl	REAL300020174968	1	32	-1.0	-39.32	296.98	6.51	-32.81
CN(CC=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC(F)(F)F	REAL300020174969	0	38	-1.0	-42.41	331.33	4.05	-38.36
CN(CC=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC(F)(F)F	REAL300020174969	1	38	-1.0	-42.43	331.40	4.05	-38.38
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300020174970	0	39	-1.0	-39.67	326.87	5.31	-34.36
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300020174970	1	39	-1.0	-39.69	326.91	5.33	-34.36
CC1(C)C(=O)NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020174971	0	41	-1.0	-39.79	344.72	4.98	-34.81
CC1(C)C(=O)NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020174971	1	41	-1.0	-39.73	344.76	4.99	-34.74
CC(C)(C)CCC1(O)CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020174972	0	49	-1.0	-38.77	379.54	5.15	-33.62
CC(C)(C)CCC1(O)CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174972	1	49	-1.0	-38.75	379.59	5.17	-33.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C2=CC=CC=C2)N=CO1	REAL300020174973	0	36	-1.0	-44.35	315.69	3.73	-40.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C2=CC=CC=C2)N=CO1	REAL300020174973	1	36	-1.0	-44.32	315.64	3.73	-40.59
CS(=O)(=O)CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020174974	0	42	-1.0	-52.60	362.57	4.13	-48.47
CS(=O)(=O)CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020174974	1	42	-1.0	-52.55	362.64	4.14	-48.41
CCOC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020174975	0	38	-1.0	-42.60	334.57	5.32	-37.28
CCOC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020174975	1	38	-1.0	-42.61	334.52	5.32	-37.29
CC1=CC(Cl)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020174976	0	35	-1.0	-44.77	317.88	7.17	-37.60
CC1=CC(Cl)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020174976	1	35	-1.0	-44.75	317.94	7.18	-37.57
O=C(CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174977	0	40	-1.0	-47.93	355.94	7.45	-40.48
O=C(CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174977	1	40	-1.0	-47.92	355.98	7.47	-40.45
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)[C@H]2C1	REAL300020174978	0	48	-1.0	-41.03	386.85	6.28	-34.75
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)[C@H]2C1	REAL300020174978	1	48	-1.0	-40.98	386.89	6.27	-34.71
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1OCCC2=C1C=CS2	REAL300020174979	0	41	-1.0	-39.80	342.62	6.85	-32.95
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1OCCC2=C1C=CS2	REAL300020174979	1	41	-1.0	-39.79	342.67	6.85	-32.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(CN2CCCC2)=C1	REAL300020174980	0	41	-1.0	-44.37	342.60	3.48	-40.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(CN2CCCC2)=C1	REAL300020174980	1	41	-1.0	-44.34	342.64	3.48	-40.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C[NH+]2CCCC2)=C1	REAL300020174980	1	42	0.0	-68.14	345.25	6.04	-62.10
CN1C=NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020174981	0	36	-1.0	-46.30	309.84	6.81	-39.49
CN1C=NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020174981	1	36	-1.0	-46.32	309.79	6.81	-39.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1Cl	REAL300020174982	0	30	-1.0	-36.48	296.58	6.56	-29.92
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1Cl	REAL300020174982	1	30	-1.0	-36.54	295.61	6.54	-30.00
COC1=CC(Cl)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174983	0	34	-1.0	-40.18	307.70	5.30	-34.88
COC1=CC(Cl)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174983	1	34	-1.0	-40.19	307.75	5.30	-34.89
C#CCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020174984	0	39	-1.0	-40.96	340.04	7.04	-33.92
C#CCCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020174984	1	39	-1.0	-40.95	340.08	7.05	-33.90
CN1N=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1I	REAL300020174985	0	30	-1.0	-40.31	289.53	4.08	-36.23
CN1N=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1I	REAL300020174985	1	30	-1.0	-40.32	289.49	4.08	-36.24
O=C(COC1=CC=C(Cl)C(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174986	0	34	-1.0	-38.95	316.63	6.49	-32.46
O=C(COC1=CC=C(Cl)C(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174986	1	34	-1.0	-38.92	316.67	6.49	-32.43
COC1=CC=CC(N2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=N2)=C1	REAL300020174987	0	40	-1.0	-51.82	348.37	4.48	-47.34
COC1=CC=CC(N2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=N2)=C1	REAL300020174987	1	40	-1.0	-51.81	348.33	4.48	-47.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)SC(Cl)=N1	REAL300020174988	0	26	-1.0	-41.89	279.82	3.68	-38.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)SC(Cl)=N1	REAL300020174988	1	26	-1.0	-41.91	279.78	3.67	-38.24
O=C(CCN1C(=O)CCNC1=S)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174989	0	38	-1.0	-52.78	332.08	4.34	-48.44
O=C(CCN1C(=O)CCNC1=S)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174989	1	38	-1.0	-52.83	332.12	4.34	-48.49
NS(=O)(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020174990	0	40	-1.0	-43.13	334.64	-0.56	-43.69
NS(=O)(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020174990	1	40	-1.0	-43.11	334.69	-0.56	-43.67
CN1C=NN(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020174991	0	36	-1.0	-48.03	314.73	5.10	-42.93
CN1C=NN(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020174991	1	36	-1.0	-48.06	314.78	5.10	-42.96
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174992	0	37	-1.0	-47.07	327.00	-0.73	-47.80
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174992	1	37	-1.0	-47.07	327.05	-0.73	-47.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(C2=NC=CN2)=C1	REAL300020174993	0	36	-1.0	-43.10	316.30	4.12	-38.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(C2=NC=CN2)=C1	REAL300020174993	1	36	-1.0	-43.08	316.35	4.14	-38.94
O=C(CN1N=NC2=C1CCCC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174994	0	39	-1.0	-41.91	323.11	4.59	-37.32
O=C(CN1N=NC2=C1CCCC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174994	1	39	-1.0	-41.90	323.15	4.58	-37.32
CC1=NC=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020174995	0	37	-1.0	-42.62	318.52	4.94	-37.68
CC1=NC=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020174995	1	37	-1.0	-42.53	318.57	4.96	-37.57
O=C(CCN1C=NC=CC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174996	0	35	-1.0	-49.32	306.36	4.96	-44.36
O=C(CCN1C=NC=CC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174996	1	35	-1.0	-49.32	306.31	4.95	-44.37
CC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020174997	0	32	-1.0	-42.98	294.46	4.97	-38.01
CC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020174997	1	32	-1.0	-42.97	294.50	4.97	-38.00
O=C(CC1CCCS(=O)(=O)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174998	0	39	-1.0	-47.08	324.77	2.45	-44.63
O=C(CC1CCCS(=O)(=O)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174998	1	39	-1.0	-47.05	324.81	2.45	-44.60
COCCOCCC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN1	REAL300020174999	0	44	-1.0	-50.26	376.00	2.75	-47.51
COCCOCCC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CN1	REAL300020174999	1	44	-1.0	-50.23	376.05	2.75	-47.48
CCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N2C=C(Cl)C=CC2=N1	REAL300020175000	0	39	-1.0	-40.04	332.78	7.53	-32.51
CCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N2C=C(Cl)C=CC2=N1	REAL300020175000	1	39	-1.0	-40.02	332.83	7.53	-32.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1	REAL300020175001	0	40	-1.0	-44.37	363.90	8.24	-36.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1	REAL300020175001	1	40	-1.0	-44.31	363.94	8.24	-36.07
CC(OCC1=CC=NC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175002	0	39	-1.0	-41.80	334.71	5.43	-36.37
CC(OCC1=CC=NC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175002	1	39	-1.0	-41.76	334.75	5.43	-36.33
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CN1C(C)C	REAL300020175003	0	40	-1.0	-45.09	327.63	6.97	-38.12
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CN1C(C)C	REAL300020175003	1	40	-1.0	-45.16	327.68	6.98	-38.18
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL300020175004	0	35	-1.0	-43.18	314.67	5.98	-37.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL300020175004	1	35	-1.0	-43.24	314.63	5.98	-37.26
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C(Br)=C1	REAL300020175005	0	36	-1.0	-42.63	325.91	8.25	-34.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C(Br)=C1	REAL300020175005	1	36	-1.0	-42.56	325.95	8.25	-34.31
O=C(CC1=CNC2=CN=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175006	0	36	-1.0	-42.23	311.76	4.43	-37.80
O=C(CC1=CNC2=CN=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175006	1	36	-1.0	-42.19	311.81	4.43	-37.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300020175007	0	44	-1.0	-49.86	360.05	7.42	-42.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300020175007	1	44	-1.0	-49.77	360.10	7.43	-42.34
NC(=O)C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175008	0	40	-1.0	-43.35	342.07	3.74	-39.61
NC(=O)C1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175008	1	40	-1.0	-43.38	342.11	3.75	-39.63
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N(C(=O)OC(C)(C)C)C1CC1	REAL300020175009	0	50	-1.0	-44.25	389.66	6.83	-37.42
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N(C(=O)OC(C)(C)C)C1CC1	REAL300020175009	1	50	-1.0	-44.21	389.70	6.83	-37.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=CC=C1Cl	REAL300020175010	0	29	-1.0	-45.41	271.30	4.28	-41.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=CC=C1Cl	REAL300020175010	1	29	-1.0	-45.45	271.25	4.28	-41.17
CN1N=CC(I)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175011	0	30	-1.0	-34.56	291.30	4.34	-30.22
CN1N=CC(I)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175011	1	30	-1.0	-34.59	291.14	4.35	-30.24
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC2=CC=C(C#N)C=C12	REAL300020175012	0	37	-1.0	-42.30	336.05	7.90	-34.40
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=CC=C(C#N)C=C12	REAL300020175012	1	37	-1.0	-42.26	336.09	7.90	-34.36
CC(C)(C)OC(=O)N1CCCC1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175013	0	53	-1.0	-43.83	413.66	7.06	-36.77
CC(C)(C)OC(=O)N1CCCC1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175013	1	53	-1.0	-43.85	413.70	7.06	-36.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2CCCNC2=N1	REAL300020175014	0	35	-1.0	-50.65	299.44	4.44	-46.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2CCCNC2=N1	REAL300020175014	1	35	-1.0	-50.70	299.39	4.43	-46.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C(Br)=CN=C2S1	REAL300020175015	0	30	-1.0	-38.88	303.28	5.84	-33.04
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CC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020175050	0	36	-1.0	-39.26	319.63	6.85	-32.41
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CN(C)C1=NC(N)=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020175066	1	37	-1.0	-44.42	320.15	6.19	-38.23
O=C(C=CCN1CCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175067	0	40	-1.0	-40.15	329.26	2.32	-37.83
O=C(C=CCN1CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175067	1	40	-1.0	-40.10	329.31	2.32	-37.78
CS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(Cl)C=N1	REAL300020175068	0	35	-1.0	-48.89	331.21	1.61	-47.28
CS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(Cl)C=N1	REAL300020175068	1	35	-1.0	-48.97	331.17	1.61	-47.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=NN=CN2C1	REAL300020175069	0	36	-1.0	-39.80	299.51	6.24	-33.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=NN=CN2C1	REAL300020175069	1	36	-1.0	-39.83	299.56	6.25	-33.58
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175070	0	39	-1.0	-42.05	344.26	5.19	-36.86
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175070	1	39	-1.0	-41.99	344.30	5.18	-36.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCCC(=O)C1	REAL300020175071	0	41	-1.0	-47.62	311.94	5.69	-41.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCCCC(=O)C1	REAL300020175071	1	41	-1.0	-47.63	311.98	5.69	-41.94
CC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020175072	0	38	-1.0	-45.25	318.15	5.61	-39.64
CC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020175072	1	38	-1.0	-45.22	318.11	5.61	-39.61
CC(C)(C)OC(=O)N1CCN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175073	0	52	-1.0	-40.73	404.40	4.28	-36.45
CC(C)(C)OC(=O)N1CCN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175073	1	52	-1.0	-40.73	404.43	4.29	-36.44
CN(C)S(=O)(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175074	0	36	-1.0	-43.34	316.52	-0.88	-44.22
CN(C)S(=O)(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175074	1	36	-1.0	-43.37	316.56	-0.87	-44.24
CC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(Br)S1	REAL300020175075	0	29	-1.0	-44.24	287.47	3.89	-40.35
CC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(Br)S1	REAL300020175075	1	29	-1.0	-44.21	287.51	3.89	-40.32
C=CC(=O)N(CC)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175076	0	37	-1.0	-43.81	317.14	4.73	-39.08
C=CC(=O)N(CC)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175076	1	37	-1.0	-43.77	317.18	4.73	-39.04
O=C(CC1=CN=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175077	0	32	-1.0	-40.26	294.50	4.78	-35.48
O=C(CC1=CN=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175077	1	32	-1.0	-40.29	294.45	4.78	-35.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2NC(=O)NC2=C1	REAL300020175078	0	33	-1.0	-39.73	292.18	1.53	-38.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2NC(=O)NC2=C1	REAL300020175078	1	33	-1.0	-39.75	292.22	1.53	-38.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1	REAL300020175079	0	38	-1.0	-44.48	349.03	7.32	-37.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1	REAL300020175079	1	38	-1.0	-44.53	348.99	7.30	-37.23
CCOC(=O)C(C)(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175080	0	41	-1.0	-39.85	334.86	5.99	-33.86
CCOC(=O)C(C)(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175080	1	41	-1.0	-39.84	334.91	5.99	-33.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(C(F)(F)F)=C1	REAL300020175081	0	32	-1.0	-36.03	296.45	4.74	-31.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(C(F)(F)F)=C1	REAL300020175081	1	32	-1.0	-36.07	296.40	4.74	-31.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1NC(=O)N2	REAL300020175082	0	34	-1.0	-42.73	295.00	2.49	-40.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1NC(=O)N2	REAL300020175082	1	34	-1.0	-42.65	295.04	2.49	-40.16
CS(=O)(=O)C1=CN=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020175083	0	34	-1.0	-49.69	314.38	-0.78	-50.47
CS(=O)(=O)C1=CN=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020175083	1	34	-1.0	-54.05	315.35	-0.73	-54.78
CC1=CSC(NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=N1	REAL300020175084	0	41	-1.0	-40.53	358.53	6.53	-34.00
CC1=CSC(NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=N1	REAL300020175084	1	41	-1.0	-40.49	358.48	6.53	-33.96
NC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NC(N2CCOCC2)=N1	REAL300020175085	0	42	-1.0	-43.15	353.23	4.09	-39.06
NC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NC(N2CCOCC2)=N1	REAL300020175085	1	42	-1.0	-43.17	353.19	4.09	-39.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(OCC(F)F)C=N1	REAL300020175086	0	35	-1.0	-44.48	320.62	1.64	-42.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(OCC(F)F)C=N1	REAL300020175086	1	35	-1.0	-44.53	320.57	1.64	-42.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCOCC2)N=N1	REAL300020175087	0	40	-1.0	-47.46	335.37	2.64	-44.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCOCC2)N=N1	REAL300020175087	1	40	-1.0	-47.51	335.33	2.64	-44.87
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175088	0	44	-1.0	-46.01	370.16	2.42	-43.59
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175088	1	44	-1.0	-46.01	370.24	2.42	-43.59
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175089	0	49	-1.0	-50.68	402.81	5.81	-44.87
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175089	1	49	-1.0	-50.66	402.85	5.82	-44.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300020175090	0	44	-1.0	-42.88	354.36	4.88	-38.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300020175090	1	44	-1.0	-42.90	354.44	4.90	-38.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC(C2=CC=CC=C2)=N1	REAL300020175091	0	37	-1.0	-51.80	323.12	5.88	-45.92
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC(C2=CC=CC=C2)=N1	REAL300020175091	1	37	-1.0	-51.75	323.16	5.88	-45.87
CC1=NSC(C)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175092	0	32	-1.0	-39.84	291.58	4.29	-35.55
CC1=NSC(C)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175092	1	32	-1.0	-39.86	291.63	4.29	-35.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CC=CC=C2C=C1Cl	REAL300020175093	0	35	-1.0	-48.03	316.45	6.43	-41.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CC=CC=C2C=C1Cl	REAL300020175093	1	35	-1.0	-48.06	316.41	6.42	-41.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)(F)F)=NO1	REAL300020175094	0	29	-1.0	-37.14	280.52	3.84	-33.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=NO1	REAL300020175094	1	29	-1.0	-37.16	280.48	3.84	-33.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CN=CC=C2S1	REAL300020175095	0	31	-1.0	-43.89	290.68	3.20	-40.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CN=CC=C2S1	REAL300020175095	1	31	-1.0	-43.94	290.64	3.20	-40.74
CCOC(=O)C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)=O	REAL300020175096	0	40	-1.0	-43.08	338.53	5.38	-37.70
CCOC(=O)C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)=O	REAL300020175096	1	40	-1.0	-43.04	338.57	5.39	-37.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL300020175097	0	47	0.0	-60.47	361.32	7.53	-52.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC[NH+](C2CCSC2)CC1	REAL300020175097	1	47	0.0	-60.45	361.27	7.51	-52.94
COC1=C(Cl)C=C2NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020175098	0	38	-1.0	-41.49	338.35	5.29	-36.20
COC1=C(Cl)C=C2NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020175098	1	38	-1.0	-41.42	339.41	5.31	-36.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(C2=CC=CC=C2)OC1=O	REAL300020175099	0	40	-1.0	-44.38	341.78	7.41	-36.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(C2=CC=CC=C2)OC1=O	REAL300020175099	1	40	-1.0	-44.34	341.82	7.42	-36.92
CC1=C2SC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=CC=C1	REAL300020175100	0	36	-1.0	-44.19	320.88	7.52	-36.67
CC1=C2SC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=CC=C1	REAL300020175100	1	36	-1.0	-44.17	320.92	7.53	-36.64
CN1N=NC(Br)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175101	0	29	-1.0	-36.89	282.35	2.24	-34.65
CN1N=NC(Br)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175101	1	29	-1.0	-40.60	283.30	2.25	-38.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CCF)N=C1	REAL300020175102	0	33	-1.0	-42.02	294.70	4.23	-37.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CCF)N=C1	REAL300020175102	1	33	-1.0	-42.10	294.65	4.23	-37.87
CCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1O	REAL300020175103	0	37	-1.0	-41.31	313.22	4.17	-37.14
CCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1O	REAL300020175103	1	37	-1.0	-41.30	313.26	4.17	-37.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020175104	0	46	0.0	-53.06	366.45	8.33	-44.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020175104	1	46	0.0	-53.50	366.68	8.39	-45.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020175104	1	46	0.0	-54.46	365.39	8.30	-46.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020175104	1	46	0.0	-53.49	366.63	8.38	-45.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=C(Br)S1	REAL300020175105	0	26	-1.0	-40.25	270.34	3.32	-36.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=C(Br)S1	REAL300020175105	1	26	-1.0	-40.30	270.30	3.32	-36.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1NC(=O)C=C2	REAL300020175106	0	36	-1.0	-47.61	307.98	4.90	-42.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1NC(=O)C=C2	REAL300020175106	1	36	-1.0	-48.17	307.01	4.87	-43.30
O=C(CCOC1=CC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175107	0	43	-1.0	-40.86	362.01	8.07	-32.79
O=C(CCOC1=CC2=CC=CC=C2C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175107	1	43	-1.0	-40.81	362.05	8.08	-32.73
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N1	REAL300020175108	0	34	-1.0	-38.61	305.61	3.82	-34.79
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N1	REAL300020175108	1	34	-1.0	-38.55	304.62	3.79	-34.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CC=CC=C2C=C1Br	REAL300020175109	0	35	-1.0	-47.97	320.18	6.53	-41.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CC=CC=C2C=C1Br	REAL300020175109	1	35	-1.0	-47.96	320.13	6.53	-41.43
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175110	0	43	-1.0	-39.97	372.67	9.35	-30.62
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175110	1	43	-1.0	-39.91	372.72	9.35	-30.56
CN1C=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CN=C21	REAL300020175111	0	35	-1.0	-48.63	304.67	6.11	-42.52
CN1C=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CN=C21	REAL300020175111	1	35	-1.0	-48.65	304.63	6.11	-42.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(=O)CSC2=C1	REAL300020175112	0	36	-1.0	-40.12	321.48	4.51	-35.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(=O)CSC2=C1	REAL300020175112	1	36	-1.0	-40.13	321.53	4.51	-35.62
CCCC1=NN=C(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N1N	REAL300020175113	0	41	-1.0	-44.10	363.03	5.21	-38.89
CCCC1=NN=C(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N1N	REAL300020175113	1	41	-1.0	-44.08	363.07	5.23	-38.85
CCCC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020175114	0	38	-1.0	-41.36	322.45	3.06	-38.30
CCCC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020175114	1	38	-1.0	-41.28	322.49	3.07	-38.21
CC1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCCN1C(=O)OC(C)(C)C	REAL300020175115	0	53	-1.0	-41.59	399.85	6.75	-34.84
CC1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300020175115	1	53	-1.0	-41.54	399.89	6.76	-34.78
CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020175116	0	38	-1.0	-40.99	330.72	7.36	-33.63
CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020175116	1	38	-1.0	-40.99	330.77	7.36	-33.63
CC1(C)COC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020175117	0	41	-1.0	-41.29	338.21	6.45	-34.84
CC1(C)COC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020175117	1	41	-1.0	-41.29	338.26	6.45	-34.84
CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=N1	REAL300020175118	0	35	-1.0	-41.07	315.66	5.30	-35.77
CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=N1	REAL300020175118	1	35	-1.0	-41.10	315.70	5.30	-35.80
CC(C)[NH+]1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175119	0	45	0.0	-53.28	336.77	6.51	-46.77
CC(C)[NH+]1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175119	1	45	0.0	-53.28	336.72	6.49	-46.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOC(C2=CC=CC=C2)O1	REAL300020175120	0	42	-1.0	-41.55	349.38	6.65	-34.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOC(C2=CC=CC=C2)O1	REAL300020175120	1	42	-1.0	-41.53	349.43	6.66	-34.87
CN1N=NC2=C1CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC2	REAL300020175121	0	39	-1.0	-41.82	319.58	4.17	-37.65
CN1N=NC2=C1CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC2	REAL300020175121	1	39	-1.0	-41.81	319.62	4.17	-37.64
COC1=CC=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NN=C21	REAL300020175122	0	37	-1.0	-42.84	317.98	3.49	-39.35
COC1=CC=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NN=C21	REAL300020175122	1	37	-1.0	-42.80	318.03	3.49	-39.31
COC1=C2NN=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=CC=C1	REAL300020175122	1	37	-1.0	-46.61	318.88	3.41	-43.20
COC1=C2NN=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=CC=C1	REAL300020175122	1	37	-1.0	-46.63	318.92	3.42	-43.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300020175123	0	37	-2.0	-115.00	328.69	4.66	-110.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300020175123	1	37	-2.0	-114.99	328.74	4.66	-110.33
CC(C)(C)OC(=O)N1CC(C(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175124	0	47	-1.0	-40.00	385.45	5.49	-34.51
CC(C)(C)OC(=O)N1CC(C(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175124	1	47	-1.0	-39.93	385.50	5.50	-34.43
CC1=NC(Cl)=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175125	0	32	-1.0	-35.13	304.64	5.23	-29.90
CC1=NC(Cl)=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175125	1	32	-1.0	-35.08	304.69	5.24	-29.84
CC1=NOC(CN2N=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C)=C1	REAL300020175126	0	41	-1.0	-50.25	356.79	4.35	-45.90
CC1=NOC(CN2N=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C)=C1	REAL300020175126	1	41	-1.0	-50.21	356.84	4.35	-45.86
O=C(CN1C=C(Cl)C=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175127	0	30	-1.0	-40.03	282.44	4.08	-35.95
O=C(CN1C=C(Cl)C=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175127	1	30	-1.0	-40.05	282.40	4.07	-35.98
CC(C)(C)C1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020175128	0	40	-1.0	-38.71	333.41	5.46	-33.25
CC(C)(C)C1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020175128	1	40	-1.0	-38.67	333.37	5.46	-33.21
CCOC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175129	0	39	-1.0	-39.12	338.10	7.07	-32.05
CCOC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175129	1	39	-1.0	-39.09	338.15	7.07	-32.02
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC2=CC(F)=CC=C21	REAL300020175130	0	36	-1.0	-42.66	321.61	7.58	-35.08
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=CC(F)=CC=C21	REAL300020175130	1	36	-1.0	-42.97	320.64	7.56	-35.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC=C(Cl)C=C1	REAL300020175131	0	34	-1.0	-38.13	310.14	4.65	-33.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC=C(Cl)C=C1	REAL300020175131	1	34	-1.0	-38.13	310.19	4.65	-33.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=NC(C2=CC=CC=C2)=C1	REAL300020175132	0	38	-1.0	-41.05	328.72	6.21	-34.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=NC(C2=CC=CC=C2)=C1	REAL300020175132	1	38	-1.0	-41.06	328.77	6.21	-34.85
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175133	0	44	-1.0	-42.42	353.61	7.51	-34.91
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175133	1	44	-1.0	-42.47	353.56	7.51	-34.96
CN1C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN=C1C1=CC=CC=C1	REAL300020175134	0	42	-1.0	-45.17	354.74	7.50	-37.67
CN1C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN=C1C1=CC=CC=C1	REAL300020175134	1	42	-1.0	-45.17	354.78	7.51	-37.66
CC(=O)C1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=C(C)C=C2O1	REAL300020175135	0	44	-1.0	-44.85	374.79	7.75	-37.10
CC(=O)C1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=C(C)C=C2O1	REAL300020175135	1	44	-1.0	-44.87	374.84	7.76	-37.11
O=C(CCSC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175136	0	37	-1.0	-38.06	343.05	7.93	-30.13
O=C(CCSC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175136	1	37	-1.0	-38.08	343.09	7.94	-30.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=C1	REAL300020175137	0	32	-1.0	-37.17	295.66	4.70	-32.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=C1	REAL300020175137	1	32	-1.0	-37.18	295.61	4.70	-32.48
O=C(COCC1=CC=NC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175138	0	36	-1.0	-41.99	315.50	4.70	-37.29
O=C(COCC1=CC=NC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175138	1	36	-1.0	-41.95	315.55	4.70	-37.25
C[C@H](CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175139	0	39	-1.0	-39.21	322.74	7.42	-31.79
C[C@H](CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175139	1	39	-1.0	-39.18	322.79	7.42	-31.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC=C(Cl)C=C1F	REAL300020175140	0	34	-1.0	-42.68	310.79	4.76	-37.92
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC=C(Cl)C=C1F	REAL300020175140	1	34	-1.0	-42.70	310.82	4.77	-37.93
O=C(CC1(C(F)(F)F)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175141	0	33	-1.0	-40.75	291.48	5.48	-35.27
O=C(CC1(C(F)(F)F)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175141	1	33	-1.0	-40.81	291.55	5.48	-35.33
O=C(COCC1=CC=CN=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175142	0	36	-1.0	-42.94	315.48	4.67	-38.27
O=C(COCC1=CC=CN=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175142	1	36	-1.0	-42.97	315.44	4.66	-38.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=NC=C1Br	REAL300020175143	0	29	-1.0	-36.48	290.07	4.76	-31.72
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=NC=C1Br	REAL300020175143	1	29	-1.0	-36.55	290.03	4.76	-31.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(N1)SC(Cl)=C2	REAL300020175144	0	31	-1.0	-37.03	302.62	5.11	-31.92
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(N1)SC(Cl)=C2	REAL300020175144	1	31	-1.0	-37.00	302.66	5.12	-31.88
COC(C)(C)C1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020175145	0	42	-1.0	-41.76	353.21	4.03	-37.73
COC(C)(C)C1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020175145	1	42	-1.0	-41.68	353.25	4.03	-37.65
CC1=CC(C(F)(F)F)=NN1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175146	0	36	-1.0	-42.55	328.47	5.02	-37.53
CC1=CC(C(F)(F)F)=NN1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175146	1	36	-1.0	-42.57	328.52	5.01	-37.56
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175147	0	36	-1.0	-41.03	343.69	5.50	-35.53
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175147	1	36	-1.0	-37.63	344.74	5.52	-32.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1F	REAL300020175148	0	37	-1.0	-41.55	318.56	7.51	-34.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1F	REAL300020175148	1	37	-1.0	-41.47	318.60	7.51	-33.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1	REAL300020175149	0	37	-1.0	-39.04	334.32	8.10	-30.94
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1	REAL300020175149	1	37	-1.0	-39.63	335.37	8.12	-31.51
CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020175150	0	37	-1.0	-43.13	317.54	5.30	-37.83
CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020175150	1	37	-1.0	-43.20	317.49	5.30	-37.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CN=C1	REAL300020175151	0	36	-1.0	-41.18	307.97	5.69	-35.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CN=C1	REAL300020175151	1	36	-1.0	-41.27	307.92	5.69	-35.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=NC=CC=C2C=C1	REAL300020175152	0	34	-1.0	-56.63	299.94	4.98	-51.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=NC=CC=C2C=C1	REAL300020175152	1	34	-1.0	-56.64	299.90	4.98	-51.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C(F)F)=C1	REAL300020175153	0	30	-1.0	-45.50	279.42	2.74	-42.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C(F)F)=C1	REAL300020175153	1	30	-1.0	-45.50	279.46	2.75	-42.75
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C=NC2=C(N)N=CN=C21	REAL300020175154	0	39	-1.0	-43.32	335.69	5.08	-38.24
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C=NC2=C(N)N=CN=C21	REAL300020175154	1	39	-1.0	-43.31	335.64	5.08	-38.23
O=C(CC(C1=CC=C(O)C=C1)C1CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175155	0	44	-1.0	-39.48	362.68	6.01	-33.47
O=C(CC(C1=CC=C(O)C=C1)C1CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175155	1	44	-1.0	-39.49	362.72	6.01	-33.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=NN=NN2CC1	REAL300020175156	0	38	-1.0	-41.28	310.52	3.84	-37.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=NN=NN2CC1	REAL300020175156	1	38	-1.0	-44.54	309.56	3.83	-40.71
CC1(C2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)OCCO1	REAL300020175157	0	38	-1.0	-43.24	337.84	2.95	-40.29
CC1(C2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)S2)OCCO1	REAL300020175157	1	38	-1.0	-42.88	336.82	2.93	-39.95
O=C(CCCC(O)C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175158	0	43	-1.0	-41.00	357.83	5.39	-35.61
O=C(CCCC(O)C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175158	1	43	-1.0	-41.01	357.88	5.39	-35.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CN(C(=O)C2CCCCC2)C1	REAL300020175159	0	47	-1.0	-38.61	375.69	6.18	-32.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CN(C(=O)C2CCCCC2)C1	REAL300020175159	1	47	-1.0	-38.55	375.74	6.19	-32.36
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175160	0	41	-1.0	-40.98	342.52	6.78	-34.20
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175160	1	41	-1.0	-42.78	343.58	6.80	-35.98
O=C(CC1CCC(=O)NC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175161	0	37	-1.0	-41.00	302.94	2.43	-38.57
O=C(CC1CCC(=O)NC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175161	1	37	-1.0	-41.00	302.98	2.44	-38.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(I)C=N1	REAL300020175162	0	29	-1.0	-41.96	285.57	4.82	-37.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(I)C=N1	REAL300020175162	1	29	-1.0	-41.96	285.53	4.82	-37.14
CC(C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1)C(F)(F)F	REAL300020175163	0	39	-1.0	-42.62	336.46	7.66	-34.96
CC(C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1)C(F)(F)F	REAL300020175163	1	39	-1.0	-42.64	336.50	7.66	-34.98
O=C(COCC1CCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175164	0	40	-1.0	-39.69	326.05	6.14	-33.55
O=C(COCC1CCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175164	1	40	-1.0	-39.63	326.10	6.15	-33.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN2C=CN=C2C1	REAL300020175165	0	37	-1.0	-45.83	305.07	5.58	-40.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN2C=CN=C2C1	REAL300020175165	1	37	-1.0	-45.72	305.11	5.59	-40.13
CC1=NC2=CC=CC=C2C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175166	0	38	-1.0	-40.40	318.82	6.53	-33.87
CC1=NC2=CC=CC=C2C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175166	1	38	-1.0	-40.43	318.87	6.53	-33.90
CC1=CC=C(OC2=CC=CC=C2CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175167	0	47	-1.0	-45.41	393.77	9.67	-35.74
CC1=CC=C(OC2=CC=CC=C2CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175167	1	47	-1.0	-45.41	393.82	9.67	-35.74
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CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020175171	0	41	-1.0	-41.14	331.63	6.62	-34.52
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020175171	1	41	-1.0	-41.12	331.68	6.62	-34.50
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CC(CC1=CN(C)N=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175174	0	39	-1.0	-43.04	326.12	5.16	-37.88
CC(CC1=CN(C)N=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175174	1	39	-1.0	-43.01	326.08	5.15	-37.86
CC1=CC=C(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C2)C=C1	REAL300020175175	0	43	-1.0	-44.86	368.78	7.26	-37.60
CC1=CC=C(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2)C=C1	REAL300020175175	1	43	-1.0	-44.87	368.74	7.25	-37.62
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NC2=NC=CS2)C=C1F	REAL300020175177	0	38	-1.0	-41.06	340.82	5.96	-35.10
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(NC2=NC=CS2)C=C1F	REAL300020175177	1	38	-1.0	-41.02	340.78	5.95	-35.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=CC(F)=C2)C=N1	REAL300020175178	0	40	-1.0	-47.04	353.79	6.65	-40.39
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=CC(F)=C2)C=N1	REAL300020175178	1	40	-1.0	-47.10	353.74	6.64	-40.46
CN1C(=O)CCC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175179	0	37	-1.0	-45.77	302.73	3.96	-41.81
CN1C(=O)CCC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175179	1	37	-1.0	-45.74	302.77	3.98	-41.76
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1NC(N)=O	REAL300020175180	0	40	-1.0	-49.78	334.17	1.86	-47.92
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1NC(N)=O	REAL300020175180	1	40	-1.0	-49.80	334.46	1.87	-47.93
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(=O)N1	REAL300020175181	0	37	-1.0	-45.46	302.43	2.45	-43.01
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(=O)N1	REAL300020175181	1	37	-1.0	-45.47	302.48	2.45	-43.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(CO)=N1	REAL300020175182	0	30	-1.0	-49.10	282.12	-0.17	-49.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(CO)=N1	REAL300020175182	1	30	-1.0	-49.10	282.17	-0.16	-49.26
CCON1CCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175183	0	45	-1.0	-38.85	358.15	5.17	-33.68
CCON1CCC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175183	1	45	-1.0	-38.79	358.19	5.19	-33.60
CCC1=NN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020175184	0	31	-1.0	-45.72	287.12	2.96	-42.76
CCC1=NN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020175184	1	31	-1.0	-45.70	287.17	2.97	-42.73
CC1=CC=CC=C1OC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020175185	0	43	-1.0	-44.77	368.12	7.29	-37.48
CC1=CC=CC=C1OC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020175185	1	43	-1.0	-44.85	368.09	7.29	-37.56
O=C(CC1=CC=CC=C1OC1CCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175186	0	47	-1.0	-42.21	379.56	8.42	-33.79
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CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NC=C1C#N	REAL300020175187	0	33	-1.0	-42.08	297.95	4.65	-37.43
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NC=C1C#N	REAL300020175187	1	33	-1.0	-42.08	298.00	4.65	-37.43
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COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020175189	0	41	-1.0	-40.41	362.89	7.06	-33.35
COC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020175189	1	41	-1.0	-40.42	362.93	7.06	-33.36
CC1=CC=CC(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C2)=C1	REAL300020175190	0	43	-1.0	-45.00	368.79	7.25	-37.75
CC1=CC=CC(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2)=C1	REAL300020175190	1	43	-1.0	-45.07	368.74	7.24	-37.83
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)OC(C)(C)C)=C1	REAL300020175191	0	48	-1.0	-42.19	392.56	8.85	-33.34
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)OC(C)(C)C)=C1	REAL300020175191	1	48	-1.0	-42.23	392.60	8.85	-33.38
O=C(C=CC1=CC=C(C2CC2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175192	0	41	-1.0	-40.83	345.20	8.77	-32.06
O=C(C=CC1=CC=C(C2CC2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175192	1	41	-1.0	-40.76	345.24	8.77	-31.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1	REAL300020175193	0	37	-1.0	-39.19	334.34	8.11	-31.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1	REAL300020175193	1	37	-1.0	-39.19	334.39	8.11	-31.08
CC1=CC(Br)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020175194	0	30	-1.0	-39.97	292.10	5.88	-34.09
CC1=CC(Br)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020175194	1	30	-1.0	-39.65	293.10	5.89	-33.76
COC(=O)C1=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC=N1	REAL300020175195	0	38	-1.0	-43.76	336.10	2.27	-41.49
COC(=O)C1=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC=N1	REAL300020175195	1	38	-1.0	-43.74	336.05	2.26	-41.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)N=C2CCCCN21	REAL300020175196	0	37	-1.0	-40.01	318.48	6.20	-33.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)N=C2CCCCN21	REAL300020175196	1	37	-1.0	-39.97	318.50	6.20	-33.77
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175197	0	41	-1.0	-39.72	355.06	7.07	-32.65
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175197	1	41	-1.0	-39.67	355.11	7.07	-32.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH+](C2CCCCC2)C1	REAL300020175198	0	46	0.0	-46.34	353.29	7.26	-39.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH+](C2CCCCC2)C1	REAL300020175198	1	46	0.0	-46.26	353.25	7.25	-39.01
NS(=O)(=O)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175199	0	34	-1.0	-48.84	304.36	-1.04	-49.88
NS(=O)(=O)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175199	1	34	-1.0	-48.86	304.40	-1.04	-49.90
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175200	0	35	-2.0	-106.60	320.90	-0.13	-106.73
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175200	1	35	-2.0	-106.56	320.94	-0.12	-106.68
NS(=O)(=O)C1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175201	0	39	-1.0	-45.86	349.21	0.91	-44.95
NS(=O)(=O)C1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175201	1	39	-1.0	-45.09	348.24	0.89	-44.20
NS(=O)(=O)C1=CC=C(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175202	0	39	-1.0	-45.00	358.80	1.57	-43.43
NS(=O)(=O)C1=CC=C(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175202	1	39	-1.0	-44.22	357.84	1.56	-42.66
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020175203	0	35	-1.0	-41.24	328.75	0.96	-40.28
NS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020175203	1	35	-1.0	-41.21	328.80	0.96	-40.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2C=CC=NN12	REAL300020175204	0	32	-1.0	-47.16	284.42	4.40	-42.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2C=CC=NN12	REAL300020175204	1	32	-1.0	-47.14	284.37	4.40	-42.74
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175205	0	38	-1.0	-40.01	344.42	4.92	-35.09
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175205	1	38	-1.0	-40.01	344.47	4.91	-35.10
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175206	0	50	0.0	-54.05	376.03	5.05	-49.00
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175206	1	50	0.0	-54.09	376.07	5.05	-49.04
CCOC(CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1)OCC	REAL300020175207	0	47	-1.0	-44.58	390.03	5.06	-39.52
CCOC(CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1)OCC	REAL300020175207	1	47	-1.0	-44.63	389.98	5.06	-39.57
CCC1(CN2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=N2)COC1	REAL300020175208	0	43	-1.0	-50.38	353.88	3.28	-47.10
CCC1(CN2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=N2)COC1	REAL300020175208	1	43	-1.0	-50.41	353.83	3.28	-47.13
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175209	0	53	0.0	-56.49	398.54	5.87	-50.62
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175209	1	53	0.0	-56.46	398.59	5.88	-50.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=N1	REAL300020175210	0	31	-1.0	-42.43	292.97	2.82	-39.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=N1	REAL300020175210	1	31	-1.0	-42.44	292.93	2.82	-39.62
CC(C)(C)OC(=O)N1CCC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175211	0	44	-1.0	-48.02	356.59	5.42	-42.60
CC(C)(C)OC(=O)N1CCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175211	1	44	-1.0	-47.97	356.63	5.42	-42.55
CNC1=NC=NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020175212	0	39	-1.0	-42.24	331.36	5.68	-36.56
CNC1=NC=NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020175212	1	39	-1.0	-42.31	331.32	5.68	-36.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(N2CCOCC2)=C1	REAL300020175213	0	43	-1.0	-41.11	351.86	4.37	-36.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(N2CCOCC2)=C1	REAL300020175213	1	43	-1.0	-41.03	351.90	4.37	-36.66
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Br	REAL300020175214	0	30	-1.0	-43.02	287.57	3.70	-39.32
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020175214	1	30	-1.0	-43.06	287.53	3.70	-39.36
COC1=CC(Cl)=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175215	0	34	-1.0	-41.44	311.68	5.34	-36.10
COC1=CC(Cl)=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175215	1	34	-1.0	-41.39	311.73	5.34	-36.05
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175216	0	40	-1.0	-41.71	345.97	7.28	-34.43
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175216	1	40	-1.0	-41.66	346.02	7.28	-34.38
C[C@H](C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020175217	0	40	-1.0	-48.37	345.11	6.46	-41.91
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CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C)N=C1	REAL300020175218	0	39	-1.0	-41.52	325.50	5.23	-36.29
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C[C@]1(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C[C@@H]1C1=CC=CC=C1	REAL300020175250	1	40	-1.0	-39.61	325.45	7.90	-31.71
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COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175265	0	41	-1.0	-40.59	363.02	7.04	-33.55
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COC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175268	0	39	-1.0	-42.33	323.53	5.70	-36.63
COC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175268	1	39	-1.0	-42.33	323.57	5.72	-36.61
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2CCCCC2)=N1	REAL300020175269	1	42	-1.0	-46.28	352.50	6.39	-39.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL300020175270	0	37	-1.0	-39.23	329.78	8.00	-31.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL300020175270	1	37	-1.0	-39.25	329.82	8.01	-31.24
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175271	0	41	-1.0	-42.32	341.40	6.82	-35.50
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175271	1	41	-1.0	-43.77	342.45	6.85	-36.92
CCC1=CC=CC=C1N1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020175272	0	42	-1.0	-48.88	353.37	6.67	-42.21
CCC1=CC=CC=C1N1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020175272	1	42	-1.0	-48.92	353.33	6.66	-42.26
CC1=CC(Cl)=NC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175273	0	32	-1.0	-39.19	288.43	4.77	-34.42
CC1=CC(Cl)=NC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175273	1	32	-1.0	-39.24	288.47	4.77	-34.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC=CC([N+](=O)[O-])=C1	REAL300020175274	0	36	-1.0	-47.18	321.46	4.73	-42.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC=CC([N+](=O)[O-])=C1	REAL300020175274	1	36	-1.0	-47.14	321.51	4.75	-42.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CN=C2)N=N1	REAL300020175275	0	35	-1.0	-47.95	312.82	3.39	-44.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CN=C2)N=N1	REAL300020175275	1	35	-1.0	-48.04	313.78	3.40	-44.64
O=C(CC1=CC=CC(C2CC2)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175276	0	40	-1.0	-40.01	334.33	8.23	-31.78
O=C(CC1=CC=CC(C2CC2)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175276	1	40	-1.0	-39.96	334.37	8.23	-31.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=C(Br)S1	REAL300020175277	0	29	-1.0	-40.42	294.27	5.08	-35.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=C(Br)S1	REAL300020175277	1	29	-1.0	-40.41	294.32	5.08	-35.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(C2=C(F)C=CC=C2F)=N1	REAL300020175278	0	36	-1.0	-52.25	329.74	4.31	-47.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(C2=C(F)C=CC=C2F)=N1	REAL300020175278	1	36	-1.0	-52.25	329.69	4.31	-47.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)C2=CC=C(Cl)C=C2O1	REAL300020175279	0	35	-1.0	-39.13	328.11	6.25	-32.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)C2=CC=C(Cl)C=C2O1	REAL300020175279	1	35	-1.0	-39.08	328.16	6.25	-32.83
CC(C)=CCOC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175280	0	47	-1.0	-40.90	388.88	8.40	-32.50
CC(C)=CCOC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175280	1	47	-1.0	-40.90	388.93	8.39	-32.51
COCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020175281	0	36	-1.0	-47.66	317.85	1.72	-45.94
COCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020175281	1	36	-1.0	-47.68	317.81	1.72	-45.96
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(S(=O)(=O)C2CCC2)C=C1	REAL300020175283	1	43	-1.0	-46.35	369.71	5.34	-41.01
COC1=CC=C2ON=C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020175284	0	39	-1.0	-43.85	338.03	4.74	-39.11
COC1=CC=C2ON=C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020175284	1	39	-1.0	-43.84	338.07	4.74	-39.10
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O=C(CC1=NOC2=CC=C(F)C=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175285	1	35	-1.0	-41.20	315.02	5.52	-35.68
COC1CCCCN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020175286	0	44	-1.0	-45.85	350.43	5.26	-40.59
COC1CCCCN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020175286	1	44	-1.0	-45.83	350.47	5.27	-40.56
CC(C)(C)OC(=O)NCC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175287	0	50	-1.0	-42.65	400.72	5.15	-37.50
CC(C)(C)OC(=O)NCC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175287	1	50	-1.0	-40.89	399.64	5.13	-35.76
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CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020175289	0	33	-1.0	-46.01	316.24	2.08	-43.93
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020175289	1	33	-1.0	-48.78	315.27	2.05	-46.73
CN1N=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020175290	0	39	-1.0	-44.03	335.08	6.00	-38.03
CN1N=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020175290	1	39	-1.0	-43.95	335.13	6.00	-37.95
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175291	0	38	-1.0	-47.10	321.83	7.33	-39.77
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175291	1	38	-1.0	-47.02	321.88	7.33	-39.69
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020175292	0	41	-1.0	-45.02	334.26	6.03	-38.99
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020175292	1	41	-1.0	-45.06	334.21	6.02	-39.04
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1N1C=CC=N1	REAL300020175293	0	40	-1.0	-41.35	335.11	7.61	-33.74
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1N1C=CC=N1	REAL300020175293	1	40	-1.0	-41.42	335.06	7.60	-33.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300020175294	0	43	-1.0	-41.90	367.54	7.00	-34.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300020175294	1	43	-1.0	-41.85	367.58	7.01	-34.84
CC1CCC(C)(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1(C)C	REAL300020175295	0	49	-1.0	-39.58	364.87	8.02	-31.56
CC1CCC(C)(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1(C)C	REAL300020175295	1	49	-1.0	-39.58	364.91	8.02	-31.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020175296	0	33	-2.0	-98.17	304.22	5.95	-92.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020175296	1	33	-2.0	-98.08	304.27	5.96	-92.12
CC(=O)NC(=CC1=CC=CS1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175297	0	38	-1.0	-47.29	335.38	5.85	-41.44
CC(=O)NC(=CC1=CC=CS1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175297	1	38	-1.0	-47.23	335.42	5.85	-41.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020175298	0	35	-2.0	-85.06	317.17	3.13	-81.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020175298	1	35	-2.0	-85.00	317.22	3.13	-81.87
COC(=O)C1=CC=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175299	0	35	-1.0	-45.92	312.92	4.41	-41.51
COC(=O)C1=CC=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175299	1	35	-1.0	-45.90	312.87	4.40	-41.50
CNC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175300	0	35	-1.0	-41.15	309.00	4.79	-36.36
CNC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175300	1	35	-1.0	-41.17	309.04	4.80	-36.37
CCOC(=O)C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020175301	0	42	-1.0	-42.23	358.12	8.45	-33.78
CCOC(=O)C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020175301	1	42	-1.0	-42.06	359.17	8.50	-33.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300020175302	0	36	-1.0	-45.35	335.36	3.40	-41.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300020175302	1	36	-1.0	-45.30	335.40	3.41	-41.89
CC1=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C	REAL300020175303	0	33	-1.0	-47.42	301.20	4.25	-43.17
CC1=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C	REAL300020175303	1	33	-1.0	-47.41	301.25	4.25	-43.16
CN1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCC1=O	REAL300020175304	0	37	-1.0	-38.79	302.72	3.68	-35.11
CN1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCC1=O	REAL300020175304	1	37	-1.0	-38.78	302.77	3.68	-35.10
CCN1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCC1=O	REAL300020175305	0	40	-1.0	-39.32	323.86	4.64	-34.68
CCN1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCC1=O	REAL300020175305	1	40	-1.0	-39.32	323.91	4.64	-34.68
O=C(CC1=NSC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175306	0	35	-1.0	-44.24	315.86	6.12	-38.12
O=C(CC1=NSC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175306	1	35	-1.0	-44.21	315.90	6.12	-38.09
O=C(CC1=NOC2=CC=C(Br)C=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175307	0	35	-1.0	-40.45	329.85	6.06	-34.39
O=C(CC1=NOC2=CC=C(Br)C=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175307	1	35	-1.0	-40.45	329.90	6.06	-34.39
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020175308	0	40	-1.0	-39.29	350.33	8.18	-31.11
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020175308	1	40	-1.0	-39.25	350.38	8.18	-31.07
O=C(CCSC1=C2N=CNC2=NC=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175309	0	38	-1.0	-47.27	344.53	6.37	-40.90
O=C(CCSC1=C2N=CNC2=NC=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175309	1	38	-1.0	-47.29	344.58	6.38	-40.91
CCOCN1N=C(C)C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020175310	0	46	-1.0	-44.06	381.72	4.41	-39.65
CCOCN1N=C(C)C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020175310	1	46	-1.0	-44.10	381.77	4.42	-39.68
O=C(CC1CS(=O)(=O)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175311	0	33	-1.0	-44.48	292.91	1.13	-43.35
O=C(CC1CS(=O)(=O)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175311	1	33	-1.0	-44.45	292.96	1.14	-43.31
CC(=CC1CCC(C)CC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175312	0	46	-1.0	-39.51	349.98	8.13	-31.38
CC(=CC1CCC(C)CC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175312	1	46	-1.0	-39.46	350.04	8.14	-31.32
COC1=NSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175313	0	30	-1.0	-38.05	282.09	1.33	-36.72
COC1=NSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175313	1	30	-1.0	-38.12	282.05	1.33	-36.79
CCOCN1N=C(C)C(CC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020175314	0	52	-1.0	-42.65	415.48	5.54	-37.11
CCOCN1N=C(C)C(CC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020175314	1	52	-1.0	-43.20	416.49	5.57	-37.63
COC1=CC2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N2C=C1	REAL300020175315	0	37	-1.0	-38.63	308.06	4.99	-33.64
COC1=CC2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N2C=C1	REAL300020175315	1	37	-1.0	-38.64	308.03	4.99	-33.65
COC1=CC=CC(S(=O)CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175316	0	39	-1.0	-55.56	345.14	3.51	-52.05
COC1=CC=CC(S(=O)CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175316	1	39	-1.0	-55.45	345.19	3.51	-51.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC3=CC=CC=C3C=C2)=C1	REAL300020175317	0	43	-1.0	-46.18	368.70	7.70	-38.48
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CC1=C(Br)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020175318	0	30	-1.0	-38.26	295.84	5.87	-32.39
CC1=C(Br)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020175318	1	30	-1.0	-38.23	295.89	5.87	-32.36
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C[NH+](C)CCN1C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020175334	0	42	0.0	-65.41	345.43	5.37	-60.04
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020175334	1	42	0.0	-65.43	345.39	5.38	-60.05
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CN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(=O)C2=CC=CC=C21	REAL300020175337	0	39	-1.0	-42.56	332.45	6.29	-36.27
CN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(=O)C2=CC=CC=C21	REAL300020175337	1	39	-1.0	-42.45	332.49	6.30	-36.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(SC(F)(F)F)O1	REAL300020175338	0	31	-1.0	-44.27	306.91	5.25	-39.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(SC(F)(F)F)O1	REAL300020175338	1	31	-1.0	-44.29	306.96	5.25	-39.04
CON1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175339	0	39	-1.0	-38.30	311.12	2.86	-35.44
CON1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175339	1	39	-1.0	-38.24	311.17	2.86	-35.38
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300020175340	0	42	0.0	-54.93	318.34	5.57	-49.36
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300020175340	1	42	0.0	-49.38	321.06	6.12	-43.26
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300020175340	1	42	0.0	-54.98	318.29	5.57	-49.41
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300020175340	1	42	0.0	-49.30	321.02	6.11	-43.19
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C=C(Br)C=N1	REAL300020175341	0	36	-1.0	-37.52	324.82	5.23	-32.29
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C=C(Br)C=N1	REAL300020175341	1	36	-1.0	-37.51	324.77	5.21	-32.30
CN1N=C2C=C(Br)C=CC2=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175342	0	36	-1.0	-36.70	322.59	6.34	-30.36
CN1N=C2C=C(Br)C=CC2=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175342	1	36	-1.0	-36.83	322.69	6.32	-30.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC2=CC(Cl)=CN=C12	REAL300020175343	0	32	-1.0	-42.62	310.07	5.60	-37.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC2=CC(Cl)=CN=C12	REAL300020175343	1	32	-1.0	-42.63	310.02	5.60	-37.03
CC(C)(C)OC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175344	0	53	-1.0	-47.52	404.33	7.58	-39.94
CC(C)(C)OC(=O)N1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175344	1	53	-1.0	-47.46	404.38	7.58	-39.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL300020175345	0	36	-1.0	-51.83	319.52	5.87	-45.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL300020175345	1	36	-1.0	-51.75	319.56	5.87	-45.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300020175346	0	37	-1.0	-41.59	328.93	6.69	-34.90
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300020175346	1	37	-1.0	-41.56	328.88	6.69	-34.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2CCCCC2=C1	REAL300020175347	0	38	-1.0	-43.87	313.07	6.70	-37.17
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2CCCCC2=C1	REAL300020175347	1	38	-1.0	-43.77	313.11	6.71	-37.06
CC1=C([N+](=O)[O-])C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020175348	0	37	-1.0	-38.04	327.64	7.12	-30.92
CC1=C([N+](=O)[O-])C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020175348	1	37	-1.0	-38.06	327.71	7.13	-30.93
O=C(CNS(=O)(=O)C1=CC=CN=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175349	0	37	-1.0	-43.84	335.27	0.08	-43.76
O=C(CNS(=O)(=O)C1=CC=CN=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175349	1	37	-1.0	-43.85	335.23	0.07	-43.78
CCNC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020175350	0	34	-1.0	-44.59	307.97	3.38	-41.21
CCNC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020175350	1	34	-1.0	-44.57	307.92	3.37	-41.20
NC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020175351	0	33	-1.0	-36.85	294.24	3.30	-33.55
NC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020175351	1	33	-1.0	-36.87	295.19	3.32	-33.55
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175352	0	39	-1.0	-40.21	346.12	7.91	-32.30
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175352	1	39	-1.0	-40.21	346.16	7.91	-32.30
CN1N=C(C2CC2)N=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175353	0	39	-1.0	-41.98	334.57	5.61	-36.37
CN1N=C(C2CC2)N=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175353	1	39	-1.0	-41.98	334.62	5.61	-36.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=NC=NC=C2C1	REAL300020175354	0	38	-1.0	-38.40	314.02	5.78	-32.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=NC=NC=C2C1	REAL300020175354	1	38	-1.0	-38.41	314.07	5.79	-32.62
CC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1(F)Cl	REAL300020175355	0	33	-1.0	-36.14	294.95	5.68	-30.46
CC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1(F)Cl	REAL300020175355	1	33	-1.0	-36.14	295.00	5.69	-30.45
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020175356	0	44	-1.0	-42.70	367.59	6.44	-36.26
CC(C)(C)OC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020175356	1	44	-1.0	-42.71	367.55	6.44	-36.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC(Cl)=C2S1	REAL300020175357	0	33	-1.0	-44.87	316.95	7.40	-37.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC(Cl)=C2S1	REAL300020175357	1	33	-1.0	-44.93	316.99	7.40	-37.53
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=CC(Br)=CC=C21	REAL300020175358	0	37	-1.0	-39.27	324.65	8.02	-31.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=CC(Br)=CC=C21	REAL300020175358	1	37	-1.0	-39.27	324.69	8.02	-31.25
O=C(CC1=C2C=CC=CN2N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175359	0	36	-1.0	-44.19	312.90	5.94	-38.25
O=C(CC1=C2C=CC=CN2N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175359	1	36	-1.0	-44.18	312.85	5.94	-38.24
CC1CCN2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C1	REAL300020175360	0	40	-1.0	-43.59	325.39	5.45	-38.14
CC1CCN2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C1	REAL300020175360	1	40	-1.0	-43.61	325.44	5.45	-38.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020175361	0	32	-2.0	-92.79	309.51	6.69	-86.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020175361	1	32	-2.0	-92.74	309.55	6.69	-86.05
O=C(CC1=CC=C2OCCCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175362	0	41	-1.0	-41.01	338.84	6.76	-34.25
O=C(CC1=CC=C2OCCCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175362	1	41	-1.0	-40.99	338.88	6.77	-34.22
CSC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175363	0	43	-1.0	-40.59	369.23	8.77	-31.82
CSC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175363	1	43	-1.0	-40.55	369.28	8.78	-31.77
O=C(CN1N=NN=C1C1=CSC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175364	0	35	-1.0	-42.23	319.14	4.04	-38.19
O=C(CN1N=NN=C1C1=CSC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175364	1	35	-1.0	-42.21	319.19	4.05	-38.16
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=NN1C1=CC=C(F)C(F)=C1	REAL300020175365	0	39	-1.0	-48.85	345.52	5.73	-43.12
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=NN1C1=CC=C(F)C(F)=C1	REAL300020175365	1	39	-1.0	-48.79	345.58	5.73	-43.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=CC=C(F)C=C12	REAL300020175366	0	33	-1.0	-40.59	296.60	5.88	-34.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=CC=C(F)C=C12	REAL300020175366	1	33	-1.0	-40.45	295.63	5.87	-34.58
CC(C)CN1N=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175367	0	39	-1.0	-38.97	316.42	5.25	-33.72
CC(C)CN1N=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175367	1	39	-1.0	-38.95	316.32	5.24	-33.71
CC1=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C(Cl)C=C2C=C1	REAL300020175368	0	38	-1.0	-48.55	338.87	7.40	-41.15
CC1=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C(Cl)C=C2C=C1	REAL300020175368	1	38	-1.0	-48.54	338.91	7.40	-41.14
CCOC(=O)C1CCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175369	0	48	-1.0	-43.61	375.46	7.76	-35.85
CCOC(=O)C1CCC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175369	1	48	-1.0	-43.55	375.51	7.76	-35.79
CC(C)(C)OC(=O)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175370	0	44	-1.0	-42.53	358.01	6.78	-35.75
CC(C)(C)OC(=O)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175370	1	44	-1.0	-42.53	358.05	6.78	-35.75
O=C(CN1C=CC2=CC=C(F)C=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175371	0	37	-1.0	-43.00	324.68	7.68	-35.32
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CC(C)=CCCC(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175373	0	45	-1.0	-38.09	356.37	7.97	-30.12
CC(C)=CCCC(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175373	1	45	-1.0	-38.09	356.42	7.98	-30.11
CC1(C)CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300020175374	0	41	-1.0	-41.49	338.91	6.72	-34.77
CC1(C)CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2O1	REAL300020175374	1	41	-1.0	-41.42	338.96	6.74	-34.68
CC(C)(C)OC(=O)COCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175375	0	42	-1.0	-45.30	350.13	5.88	-39.42
CC(C)(C)OC(=O)COCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175375	1	42	-1.0	-45.36	350.18	5.88	-39.48
CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)N=N1	REAL300020175376	0	41	-1.0	-43.98	349.77	6.83	-37.15
CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)N=N1	REAL300020175376	1	41	-1.0	-43.97	349.82	6.83	-37.14
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CCCC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175378	0	48	-1.0	-39.45	393.41	9.96	-29.49
CCCC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175378	1	48	-1.0	-39.44	393.45	9.97	-29.47
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CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1N1CCOCC1	REAL300020175380	0	46	-1.0	-40.99	369.01	5.69	-35.30
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1N1CCOCC1	REAL300020175380	1	46	-1.0	-40.91	369.06	5.69	-35.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCC2)N=N1	REAL300020175381	0	36	-1.0	-48.12	308.09	3.78	-44.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCC2)N=N1	REAL300020175381	1	36	-1.0	-48.12	308.05	3.78	-44.34
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175382	0	47	-1.0	-42.23	378.83	4.22	-38.01
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175382	1	47	-1.0	-42.18	378.88	4.22	-37.96
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CNC=N2)C=C1	REAL300020175385	0	37	-1.0	-45.76	319.63	6.69	-39.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CNC=N2)C=C1	REAL300020175385	1	37	-1.0	-45.71	319.66	6.69	-39.02
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175386	0	35	-1.0	-51.62	320.47	7.00	-44.62
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175386	1	35	-1.0	-51.54	320.51	7.00	-44.54
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)SC(Br)=N1	REAL300020175388	1	26	-1.0	-41.62	284.43	3.74	-37.88
COC(=O)C1=C(COCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC=N1	REAL300020175389	0	39	-1.0	-48.67	349.19	1.76	-46.91
COC(=O)C1=C(COCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC=N1	REAL300020175389	1	39	-1.0	-48.70	349.15	1.75	-46.95
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CSC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CO1	REAL300020175391	0	31	-1.0	-39.07	289.35	4.67	-34.40
CSC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CO1	REAL300020175391	1	31	-1.0	-39.09	289.39	4.67	-34.42
CC1=C(C2=CC=CO2)N=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020175392	0	39	-1.0	-45.08	352.36	5.73	-39.35
CC1=C(C2=CC=CO2)N=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020175392	1	39	-1.0	-45.11	352.32	5.72	-39.39
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O=C(CN1CC2=CC=CC=C2OC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175393	1	39	-1.0	-51.00	335.82	6.29	-44.71
CC1=C(C2=CC=CC=C2)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175394	0	40	-1.0	-43.40	353.63	8.82	-34.58
CC1=C(C2=CC=CC=C2)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175394	1	40	-1.0	-43.41	353.65	8.82	-34.59
CC1=NN(C(C)C)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175395	0	39	-1.0	-40.00	324.78	5.20	-34.80
CC1=NN(C(C)C)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175395	1	39	-1.0	-39.98	324.83	5.21	-34.77
O=C(CCC1=C(Cl)C=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175396	0	36	-1.0	-40.45	335.64	7.80	-32.65
O=C(CCC1=C(Cl)C=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175396	1	36	-1.0	-40.43	335.68	7.81	-32.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)N=C1	REAL300020175397	0	32	-1.0	-38.69	291.06	4.57	-34.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)N=C1	REAL300020175397	1	32	-1.0	-38.68	291.11	4.57	-34.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2OCCOC2=CS1	REAL300020175398	0	33	-1.0	-44.48	296.40	3.89	-40.59
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2OCCOC2=CS1	REAL300020175398	1	33	-1.0	-44.43	296.44	3.89	-40.54
CCC1=C(C2=CC=CC=C2)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175399	0	43	-1.0	-43.29	373.40	9.54	-33.75
CCC1=C(C2=CC=CC=C2)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175399	1	43	-1.0	-43.25	373.45	9.54	-33.71
O=C(CCCC1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175400	0	39	-1.0	-41.92	339.67	7.80	-34.12
O=C(CCCC1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175400	1	39	-1.0	-41.90	339.71	7.81	-34.09
CC(C)(C)OC(=O)N1CCCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175401	0	53	-1.0	-45.95	408.85	7.08	-38.87
CC(C)(C)OC(=O)N1CCCC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175401	1	53	-1.0	-45.96	408.89	7.08	-38.88
CC(C)(C)OC(=O)N(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CC1	REAL300020175402	0	50	-1.0	-43.64	393.40	6.76	-36.88
CC(C)(C)OC(=O)N(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CC1	REAL300020175402	1	50	-1.0	-43.61	393.45	6.76	-36.85
CC(C)(C)OC(=O)NCC1CCCC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175403	0	53	-1.0	-44.67	411.02	5.45	-39.22
CC(C)(C)OC(=O)NCC1CCCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175403	1	53	-1.0	-44.67	411.07	5.46	-39.21
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300020175404	0	46	-1.0	-39.55	363.22	5.43	-34.12
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300020175404	1	46	-1.0	-39.48	363.26	5.43	-34.05
CC(CC1=CC=C(C#N)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175405	0	40	-1.0	-40.31	343.51	7.81	-32.50
CC(CC1=CC=C(C#N)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175405	1	40	-1.0	-40.31	343.56	7.81	-32.50
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC(=O)C2=CC=CC=C21	REAL300020175406	0	38	-1.0	-51.72	324.46	7.38	-44.34
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC(=O)C2=CC=CC=C21	REAL300020175406	1	38	-1.0	-51.65	324.51	7.37	-44.28
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175407	0	54	-1.0	-47.31	420.10	7.57	-39.74
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175407	1	54	-1.0	-47.31	420.16	7.57	-39.74
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175408	0	53	-1.0	-46.12	428.38	6.50	-39.62
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175408	1	53	-1.0	-46.08	428.43	6.51	-39.57
CC(C)(C)OC(=O)CCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175409	0	47	-1.0	-41.53	379.51	7.56	-33.97
CC(C)(C)OC(=O)CCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175409	1	47	-1.0	-41.49	379.55	7.56	-33.93
C[C@H](NC(=O)C1=CC=CO1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175410	0	37	-1.0	-43.28	324.08	2.81	-40.47
C[C@H](NC(=O)C1=CC=CO1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175410	1	37	-1.0	-43.28	324.12	2.81	-40.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(CCF)C(=O)C=C1	REAL300020175411	0	35	-1.0	-40.28	311.40	3.60	-36.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(CCF)C(=O)C=C1	REAL300020175411	1	35	-1.0	-40.26	311.44	3.60	-36.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=NC(C2CC2)=C1	REAL300020175412	0	36	-1.0	-38.57	323.32	6.17	-32.40
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=NC(C2CC2)=C1	REAL300020175412	1	36	-1.0	-38.59	323.36	6.17	-32.42
CC(C)(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175413	0	42	-1.0	-41.02	337.65	7.80	-33.22
CC(C)(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175413	1	42	-1.0	-40.99	337.70	7.81	-33.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2CC2)=C1	REAL300020175414	0	37	-1.0	-40.94	310.70	7.58	-33.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2CC2)=C1	REAL300020175414	1	37	-1.0	-40.90	310.75	7.58	-33.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCOC2=N1	REAL300020175415	0	35	-1.0	-49.81	302.24	1.69	-48.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCOC2=N1	REAL300020175415	1	35	-1.0	-49.83	302.19	1.68	-48.15
O=C(CCCC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175416	0	39	-1.0	-39.53	335.45	7.82	-31.71
O=C(CCCC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175416	1	39	-1.0	-39.50	335.50	7.82	-31.68
CS(=O)(=O)N1CCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175417	0	44	-1.0	-45.12	360.86	2.88	-42.24
CS(=O)(=O)N1CCC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175417	1	44	-1.0	-45.12	360.90	2.88	-42.24
CC1=NN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N1C	REAL300020175418	0	36	-1.0	-51.55	314.72	4.44	-47.11
CC1=NN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N1C	REAL300020175418	1	36	-1.0	-51.50	314.77	4.43	-47.07
O=C(CC1OCC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175419	0	38	-1.0	-42.32	320.59	6.07	-36.25
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COC1=CC=C2CCCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020175420	0	44	-1.0	-45.97	348.45	7.35	-38.62
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CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175437	1	52	-1.0	-47.54	419.94	7.78	-39.76
CC1CC2=CNN=C2C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175438	0	40	-1.0	-46.43	324.44	4.99	-41.44
CC1CC2=CNN=C2C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175438	1	40	-1.0	-46.44	324.49	5.00	-41.44
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CC(C)CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C=CN=C1	REAL300020175442	0	42	-1.0	-41.75	344.41	7.57	-34.18
CC(C)CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C=CN=C1	REAL300020175442	1	42	-1.0	-41.73	344.45	7.56	-34.17
CN1C(Cl)=NC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175443	0	30	-1.0	-37.19	275.14	4.57	-32.62
CN1C(Cl)=NC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175443	1	30	-1.0	-37.22	275.12	4.57	-32.65
CN1CCCC1C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020175444	0	42	-1.0	-44.83	346.97	2.37	-42.46
CN1CCCC1C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020175444	1	42	-1.0	-44.85	347.01	2.38	-42.47
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020175444	1	43	0.0	-66.46	346.52	4.93	-61.53
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020175444	1	43	0.0	-66.36	346.94	4.91	-61.45
CN1C(=O)CSC1=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175445	0	33	-1.0	-40.91	293.71	3.90	-37.01
CN1C(=O)CSC1=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175445	1	33	-1.0	-40.86	293.75	3.91	-36.95
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CC1=CC=CC2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N21	REAL300020175447	0	36	-1.0	-46.35	298.32	6.35	-40.00
CC1=CC=CC2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N21	REAL300020175447	1	36	-1.0	-46.33	298.26	6.33	-40.00
CC(=CC1=CC=NC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175448	0	36	-1.0	-39.78	304.11	5.50	-34.28
CC(=CC1=CC=NC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175448	1	36	-1.0	-40.28	302.58	5.46	-34.82
CC(=CC1=CC=CC=N1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175449	0	36	-1.0	-43.70	305.05	6.54	-37.16
CC(=CC1=CC=CC=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175449	1	36	-1.0	-43.67	305.10	6.54	-37.13
CC(=CC1=CC=CN=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175450	0	36	-1.0	-40.08	303.08	5.48	-34.60
CC(=CC1=CC=CN=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175450	1	36	-1.0	-40.04	303.14	5.49	-34.55
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC(=O)C2=CC=CC=C21	REAL300020175451	0	39	-1.0	-47.72	323.60	5.32	-42.40
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC(=O)C2=CC=CC=C21	REAL300020175451	1	39	-1.0	-47.40	324.64	5.35	-42.05
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL300020175452	0	45	-1.0	-41.11	352.50	6.75	-34.36
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL300020175452	1	45	-1.0	-41.07	352.56	6.75	-34.32
CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020175453	0	40	-1.0	-40.76	341.28	5.31	-35.45
CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020175453	1	40	-1.0	-40.68	341.33	5.30	-35.38
CSC1=CC(Br)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175454	0	34	-1.0	-39.07	318.49	7.10	-31.97
CSC1=CC(Br)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175454	1	34	-1.0	-39.03	318.53	7.10	-31.93
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(NC2CC2)=N1	REAL300020175455	0	41	-1.0	-39.66	343.11	5.62	-34.04
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(NC2CC2)=N1	REAL300020175455	1	41	-1.0	-39.63	343.16	5.63	-34.00
COC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300020175456	0	37	-1.0	-40.27	326.07	6.94	-33.33
COC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300020175456	1	37	-1.0	-40.24	326.10	6.95	-33.29
CC1=CC=C(C2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)C=C1C	REAL300020175457	0	42	-1.0	-41.29	366.39	7.59	-33.70
CC1=CC=C(C2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)S2)C=C1C	REAL300020175457	1	42	-1.0	-41.32	367.36	7.62	-33.70
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175458	0	39	-1.0	-39.23	346.13	6.04	-33.19
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175458	1	39	-1.0	-39.23	346.17	6.04	-33.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1	REAL300020175459	0	39	-1.0	-45.30	343.33	5.76	-39.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1	REAL300020175459	1	39	-1.0	-45.30	343.39	5.76	-39.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2(CC2(F)F)CC1	REAL300020175460	0	40	-1.0	-40.20	323.28	6.99	-33.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2(CC2(F)F)CC1	REAL300020175460	1	40	-1.0	-42.30	324.30	7.01	-35.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)C=C1F	REAL300020175461	0	33	-1.0	-42.38	300.19	6.48	-35.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)C=C1F	REAL300020175461	1	33	-1.0	-42.35	300.24	6.48	-35.87
O=C(CC1OCC2=CC(Cl)=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175462	0	38	-1.0	-39.42	336.35	6.56	-32.86
O=C(CC1OCC2=CC(Cl)=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175462	1	38	-1.0	-39.39	336.40	6.56	-32.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)O1	REAL300020175463	0	34	-1.0	-39.56	318.41	5.29	-34.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC(F)(F)F)O1	REAL300020175463	1	34	-1.0	-39.52	318.45	5.29	-34.23
NC1=C(Cl)C(F)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020175464	0	32	-1.0	-37.86	306.90	4.57	-33.29
NC1=C(Cl)C(F)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020175464	1	32	-1.0	-37.80	306.95	4.58	-33.22
CS(=O)(=O)C1=CC=C(NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175465	0	41	-1.0	-44.41	359.68	1.98	-42.43
CS(=O)(=O)C1=CC=C(NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175465	1	41	-1.0	-44.44	359.72	1.99	-42.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl	REAL300020175466	0	32	-1.0	-33.35	325.62	7.38	-25.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl	REAL300020175466	1	32	-1.0	-33.36	325.67	7.38	-25.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(N2CCCCC2)=N1	REAL300020175467	0	41	-1.0	-46.55	345.75	4.95	-41.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(N2CCCCC2)=N1	REAL300020175467	1	41	-1.0	-46.51	345.70	4.95	-41.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL300020175468	0	37	-1.0	-46.91	331.16	3.66	-43.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL300020175468	1	37	-1.0	-46.90	331.21	3.66	-43.24
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CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176540	1	42	0.0	-51.90	313.84	2.81	-49.09
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176540	1	42	0.0	-43.74	314.30	2.84	-40.90
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176540	1	42	0.0	-45.72	313.26	2.80	-42.92
CC1CN2CCN1CC2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176540	1	41	-1.0	-39.39	312.08	0.47	-38.92
CC1CN2CCN1CC2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176540	1	41	-1.0	-39.38	312.12	0.47	-38.91
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CC1=NN(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020176545	0	42	-1.0	-44.67	351.70	5.99	-38.68
CC1=NN(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020176545	1	42	-1.0	-44.64	351.74	6.00	-38.64
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CC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCS(=O)(=O)N1	REAL300020176547	0	38	-1.0	-46.55	317.47	0.36	-46.19
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CC1=CC=CN2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020176551	0	37	-1.0	-43.91	315.51	7.68	-36.23
CC1=CC=CN2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020176551	1	37	-1.0	-43.91	315.56	7.68	-36.23
COC1=CC=CC(CC(C)CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176552	0	46	-1.0	-41.86	371.18	7.44	-34.42
COC1=CC=CC(CC(C)CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176552	1	46	-1.0	-41.86	371.23	7.45	-34.41
CC(C)C1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCO1	REAL300020176553	0	43	-1.0	-38.34	328.77	5.36	-32.98
CC(C)C1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCO1	REAL300020176553	1	43	-1.0	-38.39	328.81	5.37	-33.02
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O=C(CC1CCCC1(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176556	0	36	-1.0	-43.63	298.80	5.84	-37.79
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COC1(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CS(=O)(=O)C1	REAL300020176557	0	34	-1.0	-45.32	295.59	0.37	-44.95
COC1(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CS(=O)(=O)C1	REAL300020176557	1	34	-1.0	-45.28	295.69	0.35	-44.93
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@H]1CC[C@H](NC2=CN=CC=N2)CC1	REAL300020176559	1	46	-1.0	-42.28	368.34	4.74	-37.54
COC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176560	0	36	-1.0	-44.41	311.78	3.14	-41.27
COC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176560	1	36	-1.0	-44.42	311.82	3.14	-41.28
CC(C)(C1=NN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1)S(C)(=O)=O	REAL300020176561	0	40	-1.0	-59.10	353.05	-2.88	-61.98
CC(C)(C1=NN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1)S(C)(=O)=O	REAL300020176561	1	40	-1.0	-61.38	354.02	-2.87	-64.25
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C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176565	0	52	0.0	-61.80	415.77	8.64	-53.16
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176565	1	52	0.0	-61.83	415.81	8.65	-53.18
COC(=O)C1=CC=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020176566	0	39	-1.0	-48.51	342.21	6.26	-42.25
COC(=O)C1=CC=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020176566	1	39	-1.0	-48.51	342.26	6.26	-42.25
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCN(CC(F)(F)F)C1=O	REAL300020176567	1	40	-1.0	-49.62	337.29	5.29	-44.33
O=CC1=CNC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020176568	0	36	-1.0	-44.06	316.58	5.27	-38.79
O=CC1=CNC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020176568	1	36	-1.0	-44.00	316.63	5.28	-38.72
COC(=O)C1=CC(F)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176569	0	36	-1.0	-40.31	322.68	6.21	-34.10
COC(=O)C1=CC(F)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176569	1	36	-1.0	-40.27	322.72	6.21	-34.06
O=CC1=CC=CN1C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176570	0	43	-1.0	-44.29	368.94	8.68	-35.61
O=CC1=CC=CN1C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176570	1	43	-1.0	-44.27	369.00	8.69	-35.58
C=CC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020176571	0	51	-1.0	-41.39	404.21	6.36	-35.03
C=CC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020176571	1	51	-1.0	-41.40	404.26	6.36	-35.04
CC(C)C[NH+]1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020176572	0	48	0.0	-55.04	362.26	7.62	-47.42
CC(C)C[NH+]1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020176572	1	48	0.0	-54.99	362.22	7.62	-47.37
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NS(=O)(=O)C1=C(Cl)OC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176574	0	32	-1.0	-44.38	318.39	-1.02	-45.40
NS(=O)(=O)C1=C(Cl)OC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176574	1	32	-1.0	-43.19	317.43	-1.06	-44.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C(F)(F)CO)N=N1	REAL300020176575	0	33	-1.0	-46.79	305.16	-0.53	-47.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C(F)(F)CO)N=N1	REAL300020176575	1	33	-1.0	-46.78	305.11	-0.53	-47.31
COC1=NSC(OC)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176576	0	34	-1.0	-44.70	313.64	0.67	-44.03
COC1=NSC(OC)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176576	1	34	-1.0	-44.74	313.60	0.66	-44.08
CC1=CC=C(C#N)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176577	0	34	-1.0	-44.02	298.13	6.55	-37.47
CC1=CC=C(C#N)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176577	1	34	-1.0	-44.01	298.18	6.55	-37.46
CN1N=C(C(F)(F)F)C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C21	REAL300020176578	0	38	-1.0	-38.04	347.44	5.62	-32.42
CN1N=C(C(F)(F)F)C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C21	REAL300020176578	1	38	-1.0	-38.00	347.40	5.61	-32.39
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCCNC2=NN1	REAL300020176579	0	36	-1.0	-41.28	299.81	2.66	-38.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCCNC2=NN1	REAL300020176579	1	36	-1.0	-41.23	299.85	2.66	-38.57
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CS(C)(=O)=O)=N1	REAL300020176580	0	41	-1.0	-51.92	374.98	2.14	-49.78
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CS(C)(=O)=O)=N1	REAL300020176580	1	41	-1.0	-51.88	375.02	2.14	-49.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=CC=CC2=NO1	REAL300020176581	0	32	-1.0	-44.49	285.13	5.10	-39.39
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=CC=CC2=NO1	REAL300020176581	1	32	-1.0	-44.51	285.09	5.10	-39.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020176582	0	30	-2.0	-94.01	299.52	5.95	-88.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020176582	1	30	-2.0	-93.95	299.56	5.96	-87.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OC=NC2=C1	REAL300020176583	0	32	-1.0	-42.31	283.13	2.40	-39.91
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OC=NC2=C1	REAL300020176583	1	32	-1.0	-42.35	283.08	2.39	-39.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NNC=C2N=C1	REAL300020176584	0	32	-1.0	-45.45	281.84	2.44	-43.01
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NNC=C2N=C1	REAL300020176584	1	32	-1.0	-45.46	281.88	2.46	-43.00
CC1(O)CCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020176585	0	43	-1.0	-39.11	335.46	3.85	-35.26
CC1(O)CCC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020176585	1	43	-1.0	-39.09	335.51	3.86	-35.23
CC(C)[C@H](NC(N)=O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176586	0	38	-1.0	-42.84	305.40	0.21	-42.63
CC(C)[C@H](NC(N)=O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176586	1	38	-1.0	-42.80	305.45	0.21	-42.59
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176587	0	35	-2.0	-111.89	309.23	6.44	-105.45
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176587	1	35	-2.0	-111.82	309.28	6.44	-105.38
CC1=CC(C=O)=C(O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176587	1	36	-1.0	-47.12	312.80	5.34	-41.78
CC1=CC(C=O)=C(O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176587	1	36	-1.0	-47.13	312.84	5.34	-41.79
C=C(CCC(=O)OC)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176588	0	36	-1.0	-42.66	311.00	5.30	-37.36
C=C(CCC(=O)OC)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176588	1	36	-1.0	-42.68	311.04	5.31	-37.37
O=C(CC1=CC=CC2=NSN=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176589	0	34	-1.0	-42.73	309.40	4.45	-38.28
O=C(CC1=CC=CC2=NSN=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176589	1	34	-1.0	-42.74	309.45	4.46	-38.28
CC1=C(I)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020176590	0	30	-1.0	-44.61	289.27	3.53	-41.08
CC1=C(I)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020176590	1	30	-1.0	-44.60	289.31	3.53	-41.07
CC1=NS(=O)(=O)N(C)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176591	0	36	-1.0	-43.05	322.03	0.75	-42.30
CC1=NS(=O)(=O)N(C)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176591	1	36	-1.0	-43.00	322.13	0.77	-42.23
COC1=CC=C2NC=CC2=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176592	0	38	-1.0	-52.35	325.64	4.67	-47.68
COC1=CC=C2NC=CC2=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176592	1	38	-1.0	-52.49	324.67	4.64	-47.85
O=C(CC1C=CS(=O)(=O)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176593	0	34	-1.0	-48.44	299.81	1.56	-46.88
O=C(CC1C=CS(=O)(=O)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176593	1	34	-1.0	-48.43	299.85	1.57	-46.86
CN(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C=O	REAL300020176594	0	40	-1.0	-40.83	336.69	5.84	-34.99
CN(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C=O	REAL300020176594	1	40	-1.0	-40.76	336.73	5.84	-34.92
CN1CCN2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2S1(=O)=O	REAL300020176595	0	39	-1.0	-53.85	340.78	0.64	-53.21
CN1CCN2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2S1(=O)=O	REAL300020176595	1	39	-1.0	-53.81	340.73	0.63	-53.18
CC1CC2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C[N@@H+]2C1	REAL300020176596	0	46	0.0	-51.06	348.61	7.17	-43.89
CC1CC2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C[N@H+]2C1	REAL300020176596	1	46	0.0	-47.89	343.31	7.38	-40.51
CC1CC2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C[N@@H+]2C1	REAL300020176596	1	46	0.0	-50.93	348.57	7.17	-43.76
CC1CC2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C[N@H+]2C1	REAL300020176596	1	46	0.0	-47.88	343.26	7.38	-40.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C=CNC(=O)C2=N1	REAL300020176597	0	33	-1.0	-63.29	296.33	2.93	-60.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C=CNC(=O)C2=N1	REAL300020176597	1	33	-1.0	-63.29	296.37	2.93	-60.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC2=CN=CN21	REAL300020176598	0	30	-1.0	-43.88	276.95	5.61	-38.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC2=CN=CN21	REAL300020176598	1	30	-1.0	-43.87	276.93	5.59	-38.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300020176599	0	46	0.0	-52.59	331.46	6.62	-45.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300020176599	1	46	0.0	-50.53	335.69	7.34	-43.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300020176599	1	46	0.0	-52.56	331.42	6.62	-45.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300020176599	1	46	0.0	-50.53	335.64	7.34	-43.19
CCOC(=O)NC1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176600	0	41	-1.0	-52.48	354.86	4.72	-47.76
CCOC(=O)NC1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176600	1	41	-1.0	-52.38	354.91	4.73	-47.65
CN1C=C(N2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CCC2=O)C=N1	REAL300020176601	0	44	-1.0	-42.72	357.71	4.77	-37.95
CN1C=C(N2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC2=O)C=N1	REAL300020176601	1	44	-1.0	-42.75	357.67	4.77	-37.98
CCOC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020176602	0	41	-1.0	-43.44	361.99	5.13	-38.31
CCOC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020176602	1	41	-1.0	-43.45	362.04	5.14	-38.31
COC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020176603	0	38	-1.0	-43.75	340.13	4.19	-39.56
COC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020176603	1	38	-1.0	-43.74	340.18	4.21	-39.53
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020176604	0	37	-1.0	-45.29	332.42	4.99	-40.30
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020176604	1	37	-1.0	-45.27	332.46	5.00	-40.27
O=C(CC1CC(=O)NC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176605	0	41	-1.0	-42.04	339.89	5.13	-36.91
O=C(CC1CC(=O)NC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176605	1	41	-1.0	-42.01	339.94	5.16	-36.85
COC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020176606	0	38	-1.0	-41.83	334.31	3.84	-37.99
COC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020176606	1	38	-1.0	-41.80	334.36	3.84	-37.96
COC(=O)C1CCCN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020176607	0	43	-1.0	-44.05	359.00	5.75	-38.30
COC(=O)C1CCCN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020176607	1	43	-1.0	-44.07	359.04	5.77	-38.30
CC1=C(Br)OC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176608	0	30	-1.0	-41.41	288.21	4.86	-36.55
CC1=C(Br)OC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176608	1	30	-1.0	-41.33	287.25	4.83	-36.50
COC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CN=C1F	REAL300020176609	0	33	-1.0	-38.17	292.49	4.14	-34.03
COC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CN=C1F	REAL300020176609	1	33	-1.0	-38.21	292.44	4.13	-34.08
COC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020176610	0	41	-1.0	-46.89	344.52	4.40	-42.49
COC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020176610	1	41	-1.0	-45.89	344.23	4.40	-41.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)NC(=O)N2CC1CC1	REAL300020176611	0	44	-1.0	-40.72	371.91	6.83	-33.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)NC(=O)N2CC1CC1	REAL300020176611	1	44	-1.0	-40.69	371.95	6.83	-33.86
CC1=C(Br)C=C(F)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176612	0	33	-1.0	-37.53	300.80	6.72	-30.81
CC1=C(Br)C=C(F)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176612	1	33	-1.0	-37.60	301.03	6.73	-30.87
CC1=CC(Cl)=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176613	0	32	-1.0	-45.81	297.08	4.85	-40.96
CC1=CC(Cl)=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176613	1	32	-1.0	-45.81	297.12	4.85	-40.96
CNC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176614	0	39	-1.0	-46.46	332.57	2.98	-43.48
CNC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176614	1	39	-1.0	-46.44	332.62	2.99	-43.45
CCOC(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176615	0	41	-1.0	-50.59	362.82	5.17	-45.42
CCOC(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176615	1	41	-1.0	-50.57	362.86	5.17	-45.40
CC1=NN(CC(F)F)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176616	0	36	-1.0	-40.83	319.15	4.97	-35.86
CC1=NN(CC(F)F)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176616	1	36	-1.0	-40.82	319.19	4.97	-35.85
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C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2N1	REAL300020176620	0	42	-1.0	-50.64	354.02	4.79	-45.85
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2N1	REAL300020176620	1	42	-1.0	-50.75	353.98	4.79	-45.96
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CC1=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C(Br)C=C1	REAL300020176626	0	37	-1.0	-39.02	337.45	6.66	-32.36
CC1=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C(Br)C=C1	REAL300020176626	1	37	-1.0	-39.03	337.50	6.66	-32.37
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CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)OC2=C(F)C=C1	REAL300020176631	0	36	-1.0	-48.56	319.12	6.56	-42.00
CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)OC2=C(F)C=C1	REAL300020176631	1	36	-1.0	-48.56	319.16	6.56	-42.00
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176632	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	REAL300020176632	1	53	-1.0	-41.50	412.79	5.52	-35.98
C[C@@H]1C[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCN1C(=O)OC(C)(C)C	REAL300020176633	0	53	-1.0	-38.66	403.40	6.82	-31.84
C[C@@H]1C[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCN1C(=O)OC(C)(C)C	REAL300020176633	1	53	-1.0	-40.80	404.62	6.80	-34.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL300020176634	0	34	-1.0	-40.42	301.76	4.76	-35.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CC[C@H](C(F)(F)F)O1	REAL300020176634	1	34	-1.0	-40.40	301.80	4.77	-35.63
CC1=C(C)N2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C=C1	REAL300020176635	0	39	-1.0	-47.82	328.04	6.37	-41.45
CC1=C(C)N2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C=C1	REAL300020176635	1	39	-1.0	-47.87	327.99	6.36	-41.51
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176636	0	37	-1.0	-41.58	316.58	5.13	-36.45
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176636	1	37	-1.0	-41.52	316.62	5.15	-36.37
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176637	0	53	-1.0	-45.06	416.20	6.82	-38.24
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176637	1	53	-1.0	-45.02	416.25	6.83	-38.19
CC(C)(C)C1=CC=C(CSCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176638	0	49	-1.0	-39.95	406.75	9.85	-30.10
CC(C)(C)C1=CC=C(CSCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176638	1	49	-1.0	-39.94	406.80	9.86	-30.08
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CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020176641	0	38	-1.0	-49.44	318.32	6.82	-42.62
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020176641	1	38	-1.0	-49.43	318.36	6.83	-42.60
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C=CC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCCCC1	REAL300020176643	1	43	-1.0	-38.07	321.58	6.91	-31.16
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CCOC(=O)[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176645	0	36	-1.0	-42.28	313.14	5.53	-36.75
CCOC(=O)[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176645	1	36	-1.0	-42.27	313.19	5.55	-36.72
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CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)OC2=CC=C1	REAL300020176648	0	36	-1.0	-45.38	313.69	6.52	-38.86
CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)OC2=CC=C1	REAL300020176648	1	36	-1.0	-45.16	312.72	6.50	-38.66
CC(C)N1C=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176649	0	39	-1.0	-45.88	327.38	5.28	-40.60
CC(C)N1C=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176649	1	39	-1.0	-45.81	327.42	5.29	-40.52
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176650	0	36	-1.0	-47.67	325.36	7.15	-40.52
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176650	1	36	-1.0	-47.59	325.41	7.15	-40.44
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176651	0	49	0.0	-55.93	382.63	8.98	-46.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176651	1	49	0.0	-57.49	386.35	8.95	-48.54
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176651	1	49	0.0	-55.91	382.58	8.97	-46.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176651	1	49	0.0	-57.44	386.30	8.96	-48.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NC=CC=C2O1	REAL300020176652	0	32	-1.0	-44.51	286.62	4.04	-40.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NC=CC=C2O1	REAL300020176652	1	32	-1.0	-44.53	286.58	4.04	-40.49
COCCCOC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020176653	0	47	-1.0	-42.48	381.37	6.31	-36.17
COCCCOC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020176653	1	47	-1.0	-42.43	381.42	6.31	-36.12
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176654	0	53	-1.0	-39.11	418.76	5.80	-33.31
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CC(C)(C)OC(=O)NCC(C)(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176655	0	52	-1.0	-40.70	400.72	5.17	-35.53
CC(C)(C)OC(=O)NCC(C)(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176655	1	52	-1.0	-40.67	400.77	5.17	-35.50
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COC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL300020176657	0	40	-1.0	-42.39	338.86	6.99	-35.40
COC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300020176657	1	40	-1.0	-42.35	338.87	6.99	-35.36
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CCC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176659	0	55	-1.0	-38.88	416.68	5.52	-33.36
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CC(C)(C)OC(=O)NC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)(C)C	REAL300020176660	0	55	-1.0	-40.38	417.95	6.03	-34.35
CC(C)(C)OC(=O)NC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)(C)C	REAL300020176660	1	55	-1.0	-40.32	417.98	6.03	-34.29
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CCC(C)OC1=CC=CC=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176669	0	47	-1.0	-43.47	386.07	8.47	-35.00
CCC(C)OC1=CC=CC=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176669	1	47	-1.0	-43.42	386.11	8.46	-34.96
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CC1=CC=CC=C1C(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176672	0	39	-1.0	-39.70	319.16	7.21	-32.49
CC1=CC=CC=C1C(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176672	1	39	-1.0	-39.67	319.20	7.21	-32.46
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COC1=CC(Br)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176675	1	34	-1.0	-40.04	312.31	5.41	-34.63
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176676	0	50	0.0	-64.37	404.17	8.36	-56.01
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176676	1	50	0.0	-64.30	404.21	8.36	-55.94
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CN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC2=CC(Br)=CN=C21	REAL300020176680	0	36	-1.0	-39.05	330.91	6.83	-32.22
CN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=CC(Br)=CN=C21	REAL300020176680	1	36	-1.0	-39.08	330.87	6.83	-32.25
CC(C)CN1[N-]C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300020176681	0	42	-2.0	-95.21	356.02	4.73	-90.48
CC(C)CN1[N-]C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300020176681	1	42	-2.0	-95.16	356.06	4.73	-90.43
CN1C=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300020176682	0	33	-1.0	-45.20	304.14	5.07	-40.13
CN1C=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300020176682	1	33	-1.0	-45.20	304.19	5.08	-40.12
CC1=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)C=CO1	REAL300020176683	0	36	-1.0	-54.91	318.15	5.29	-49.62
CC1=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)C=CO1	REAL300020176683	1	36	-1.0	-54.86	318.20	5.30	-49.56
CC(C)C1=NC=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176684	0	37	-1.0	-41.46	332.59	5.31	-36.15
CC(C)C1=NC=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176684	1	37	-1.0	-41.53	332.64	5.31	-36.22
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176685	0	38	-1.0	-44.97	332.19	7.39	-37.58
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176685	1	38	-1.0	-45.00	332.25	7.39	-37.61
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176686	0	38	-1.0	-44.48	340.09	7.76	-36.72
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176686	1	38	-1.0	-44.53	340.23	7.75	-36.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC(C2CC2)=NC=C1Br	REAL300020176687	0	35	-1.0	-41.96	321.62	5.79	-36.17
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC(C2CC2)=NC=C1Br	REAL300020176687	1	35	-1.0	-41.96	321.66	5.80	-36.16
O=C(CN1N=C(C(F)F)C=C1C(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176688	0	36	-1.0	-44.29	333.79	5.11	-39.18
O=C(CN1N=C(C(F)F)C=C1C(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176688	1	36	-1.0	-44.32	333.83	5.11	-39.21
CC(C)(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N	REAL300020176689	0	44	-1.0	-41.49	338.46	6.40	-35.09
CC(C)(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N	REAL300020176689	1	44	-1.0	-41.47	338.50	6.40	-35.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1	REAL300020176690	0	47	-1.0	-41.78	369.50	6.93	-34.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1	REAL300020176690	1	47	-1.0	-41.73	369.55	6.93	-34.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)O1	REAL300020176691	0	30	-1.0	-41.49	285.88	4.70	-36.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)O1	REAL300020176691	1	30	-1.0	-41.51	285.93	4.70	-36.81
CN(CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=NC=C1	REAL300020176692	0	45	-1.0	-45.98	373.50	5.36	-40.62
CN(CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=NC=C1	REAL300020176692	1	45	-1.0	-45.92	373.43	5.35	-40.57
CCC1=NOC(COCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176693	0	38	-1.0	-44.11	333.66	2.65	-41.46
CCC1=NOC(COCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176693	1	38	-1.0	-44.09	333.70	2.67	-41.42
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O=C(CC1CCC(C(F)(F)F)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176694	1	37	-1.0	-44.32	321.78	5.20	-39.12
COC1=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(C)N=C2C=C1	REAL300020176695	0	42	-1.0	-42.37	348.19	5.83	-36.54
COC1=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(C)N=C2C=C1	REAL300020176695	1	42	-1.0	-42.42	348.24	5.83	-36.59
CC1=CC=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176696	0	32	-1.0	-45.69	295.62	4.95	-40.74
CC1=CC=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176696	1	32	-1.0	-45.66	295.66	4.97	-40.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)F)C=C1F	REAL300020176697	0	34	-1.0	-42.96	305.19	5.14	-37.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)F)C=C1F	REAL300020176697	1	34	-1.0	-42.94	305.23	5.15	-37.79
CC1=NN(C)C=C1C1=NOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176698	0	41	-1.0	-46.04	352.63	5.27	-40.77
CC1=NN(C)C=C1C1=NOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176698	1	41	-1.0	-46.01	352.68	5.28	-40.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(C2=CC=CO2)=C1	REAL300020176699	0	36	-1.0	-41.04	318.49	5.48	-35.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(C2=CC=CO2)=C1	REAL300020176699	1	36	-1.0	-41.10	318.44	5.48	-35.62
O=C(CN1N=C(C(F)(F)F)C2=C1CCCC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176700	0	43	-1.0	-39.65	366.38	6.70	-32.95
O=C(CN1N=C(C(F)(F)F)C2=C1CCCC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176700	1	43	-1.0	-39.64	366.43	6.69	-32.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL300020176701	0	37	-1.0	-53.17	328.10	4.93	-48.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL300020176701	1	37	-1.0	-53.18	328.15	4.94	-48.24
CN1C(=O)CCC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020176702	0	41	-1.0	-42.45	338.17	6.39	-36.06
CN1C(=O)CCC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020176702	1	41	-1.0	-42.44	338.22	6.39	-36.05
O=C(C=CCl)NCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176703	0	34	-1.0	-42.04	315.97	2.64	-39.40
O=C(C=CCl)NCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176703	1	34	-1.0	-42.11	316.01	2.65	-39.46
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CN=C1Br	REAL300020176704	0	32	-1.0	-39.73	296.20	4.78	-34.95
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN=C1Br	REAL300020176704	1	32	-1.0	-39.69	295.15	4.75	-34.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)NC2=C1CCCC2	REAL300020176705	0	40	-1.0	-49.20	322.83	4.82	-44.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)NC2=C1CCCC2	REAL300020176705	1	40	-1.0	-49.18	322.84	4.82	-44.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=COC2=CC=N1	REAL300020176706	0	32	-1.0	-47.42	282.97	4.08	-43.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=COC2=CC=N1	REAL300020176706	1	32	-1.0	-47.31	283.94	4.11	-43.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL300020176707	0	47	-1.0	-42.10	370.66	2.87	-39.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL300020176707	1	47	-1.0	-42.08	370.71	2.87	-39.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC2=NC=CS2)=C1	REAL300020176708	0	38	-1.0	-41.60	336.84	5.96	-35.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC2=NC=CS2)=C1	REAL300020176708	1	38	-1.0	-41.65	336.80	5.94	-35.71
CCCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(=O)N1	REAL300020176709	0	39	-1.0	-40.94	330.84	4.47	-36.47
CCCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(=O)N1	REAL300020176709	1	39	-1.0	-40.89	330.89	4.47	-36.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC(=O)C(C(F)(F)F)=C1	REAL300020176710	0	33	-1.0	-45.23	303.06	3.46	-41.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC(=O)C(C(F)(F)F)=C1	REAL300020176710	1	33	-1.0	-45.21	303.10	3.46	-41.75
CCSC1=CNC(=O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176711	0	37	-1.0	-55.20	324.11	4.67	-50.53
CCSC1=CNC(=O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176711	1	37	-1.0	-55.34	324.44	4.56	-50.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=C(C(F)F)NC2=CC=C1	REAL300020176712	0	36	-1.0	-46.51	321.81	5.26	-41.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=C(C(F)F)NC2=CC=C1	REAL300020176712	1	36	-1.0	-46.49	321.85	5.27	-41.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2OC1C(F)F	REAL300020176713	0	39	-1.0	-43.65	335.05	6.84	-36.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2OC1C(F)F	REAL300020176713	1	39	-1.0	-43.65	335.09	6.84	-36.81
O=C(CC1=CC=CC(C(F)(F)F)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176714	0	35	-1.0	-43.24	318.29	5.51	-37.73
O=C(CC1=CC=CC(C(F)(F)F)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176714	1	35	-1.0	-43.22	318.35	5.52	-37.70
CCOC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176715	0	39	-1.0	-44.61	333.61	4.07	-40.54
CCOC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176715	1	39	-1.0	-44.58	333.66	4.07	-40.51
C[NH+]1CCC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020176716	0	43	0.0	-59.77	341.65	5.89	-53.88
C[NH+]1CCC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020176716	1	43	0.0	-59.84	341.69	5.90	-53.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1	REAL300020176717	0	41	-1.0	-39.40	363.30	8.54	-30.86
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CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Br)=NN1	REAL300020176719	0	30	-1.0	-43.67	287.48	2.87	-40.80
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Br)=NN1	REAL300020176719	1	30	-1.0	-43.63	287.52	2.87	-40.76
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176720	0	38	-1.0	-56.60	333.33	2.04	-54.56
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176720	1	38	-1.0	-56.63	333.28	2.04	-54.59
CC1=CC(C(F)(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CN=C1Cl	REAL300020176721	0	35	-1.0	-38.99	326.34	5.48	-33.51
CC1=CC(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN=C1Cl	REAL300020176721	1	35	-1.0	-39.06	326.30	5.48	-33.58
CC1=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CNC2=N1	REAL300020176722	0	35	-1.0	-52.74	303.71	4.34	-48.40
CC1=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CNC2=N1	REAL300020176722	1	35	-1.0	-52.86	302.75	4.32	-48.54
CC(C)C1CCC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C(=O)N2)C1	REAL300020176723	0	49	-1.0	-55.32	381.59	6.98	-48.34
CC(C)C1CCC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C(=O)N2)C1	REAL300020176723	1	49	-1.0	-55.25	381.56	6.98	-48.27
CC1=NN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020176724	0	38	-1.0	-49.02	330.67	5.52	-43.50
CC1=NN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020176724	1	38	-1.0	-48.97	330.72	5.52	-43.45
CCCOC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1C	REAL300020176725	0	46	-1.0	-39.94	375.16	8.87	-31.07
CCCOC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1C	REAL300020176725	1	46	-1.0	-39.94	375.30	8.88	-31.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2CCCCC2)O1	REAL300020176726	0	45	-1.0	-43.66	364.45	5.25	-38.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300020176726	1	46	0.0	-57.50	365.82	7.47	-50.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2CCCCC2)O1	REAL300020176726	1	45	-1.0	-43.68	364.50	5.25	-38.43
C[C@H](NC(=O)CN1C=NN=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176727	0	38	-1.0	-54.83	333.30	2.04	-52.79
C[C@H](NC(=O)CN1C=NN=N1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176727	1	38	-1.0	-54.86	333.25	2.04	-52.82
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176728	0	45	-1.0	-40.62	363.75	7.87	-32.75
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176728	1	45	-1.0	-40.54	363.79	7.87	-32.67
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CC2CC2)S1	REAL300020176729	0	37	-1.0	-41.43	327.55	7.61	-33.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CC2CC2)S1	REAL300020176729	1	37	-1.0	-41.36	327.59	7.60	-33.76
COC1=CC(OC)=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176730	0	41	-1.0	-42.65	344.11	4.74	-37.91
COC1=CC(OC)=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176730	1	41	-1.0	-42.64	344.15	4.74	-37.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2=CC=CC=C2)=N1	REAL300020176731	0	39	-1.0	-51.15	334.60	7.37	-43.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2=CC=CC=C2)=N1	REAL300020176731	1	39	-1.0	-51.16	334.55	7.36	-43.80
O=C(CCCCCCCCC1CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176732	0	51	-1.0	-38.02	408.24	10.20	-27.82
O=C(CCCCCCCCC1CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176732	1	51	-1.0	-37.99	408.29	10.20	-27.79
O=C(CC1CCCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176733	0	40	-1.0	-38.64	309.02	4.46	-34.18
O=C(CC1CCCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176733	1	40	-1.0	-38.59	309.06	4.46	-34.13
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300020176734	0	36	-2.0	-96.02	324.08	5.03	-90.99
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300020176734	1	36	-2.0	-95.98	324.12	5.03	-90.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020176735	0	30	-2.0	-96.91	289.14	5.48	-91.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020176735	1	30	-2.0	-96.84	289.18	5.48	-91.36
CN1N=CC2=C1C=C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)N2	REAL300020176736	0	36	-1.0	-53.37	313.49	2.49	-50.88
CN1N=CC2=C1C=C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)N2	REAL300020176736	1	36	-1.0	-53.33	313.53	2.49	-50.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC2=CNN=C21	REAL300020176737	0	37	-1.0	-47.00	303.99	4.42	-42.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC2=CNN=C21	REAL300020176737	1	37	-1.0	-47.03	304.03	4.42	-42.61
COC1=C2C=CSC2=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176738	0	37	-1.0	-41.98	325.12	6.17	-35.81
COC1=C2C=CSC2=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176738	1	37	-1.0	-41.91	324.15	6.13	-35.78
CC1(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)CC1	REAL300020176739	0	40	-1.0	-40.99	327.97	7.96	-33.03
CC1(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)CC1	REAL300020176739	1	40	-1.0	-40.95	328.01	7.96	-32.99
CC1CCN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)C1	REAL300020176740	0	45	-1.0	-41.37	356.16	6.45	-34.92
CC1CCN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C1	REAL300020176740	1	45	-1.0	-41.43	356.20	6.46	-34.97
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL300020176741	0	36	-1.0	-36.99	314.66	6.82	-30.17
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL300020176741	1	36	-1.0	-37.00	314.71	6.82	-30.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL300020176742	0	37	-1.0	-51.01	325.88	3.36	-47.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL300020176742	1	37	-1.0	-50.99	325.92	3.37	-47.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2S1	REAL300020176743	0	33	-1.0	-41.38	317.32	7.40	-33.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2S1	REAL300020176743	1	33	-1.0	-41.40	317.37	7.40	-34.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2CCC2)=C1	REAL300020176744	0	36	-1.0	-44.63	309.36	5.64	-38.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C2CCC2)=C1	REAL300020176744	1	36	-1.0	-44.64	309.41	5.64	-39.00
O=C(COCC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176745	0	40	-1.0	-40.50	359.33	7.45	-33.05
O=C(COCC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176745	1	40	-1.0	-40.46	359.38	7.46	-33.00
CC1(C)CC2(CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)C1	REAL300020176746	0	43	-1.0	-39.73	334.47	7.25	-32.48
CC1(C)CC2(CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)C1	REAL300020176746	1	43	-1.0	-39.66	334.52	7.27	-32.39
COC1=CC=CC(N2C=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)=C1	REAL300020176747	0	41	-1.0	-55.94	351.41	5.91	-50.03
COC1=CC=CC(N2C=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)=C1	REAL300020176747	1	41	-1.0	-55.98	351.36	5.91	-50.07
COC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL300020176748	0	37	-1.0	-37.39	330.29	6.32	-31.07
COC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL300020176748	1	37	-1.0	-37.37	330.34	6.32	-31.05
C[C@@H]1C[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC(C)(C)C1	REAL300020176749	0	45	-1.0	-38.41	341.91	7.18	-31.23
C[C@@H]1C[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC(C)(C)C1	REAL300020176749	1	45	-1.0	-38.43	341.95	7.19	-31.24
CC1=C(Br)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176750	0	29	-1.0	-38.30	290.27	3.80	-34.50
CC1=C(Br)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176750	1	29	-1.0	-38.25	290.32	3.80	-34.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C=CN=CC2=N1	REAL300020176751	0	32	-1.0	-48.44	286.88	4.20	-44.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C=CN=CC2=N1	REAL300020176751	1	32	-1.0	-48.47	286.84	4.20	-44.27
CC(C)(C)C1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020176752	0	38	-1.0	-46.70	321.75	4.15	-42.55
CC(C)(C)C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020176752	1	38	-1.0	-46.63	321.79	4.15	-42.48
COC1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=CC(Cl)=C1	REAL300020176753	0	38	-1.0	-39.20	341.54	5.23	-33.97
COC1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=CC(Cl)=C1	REAL300020176753	1	38	-1.0	-39.14	341.58	5.24	-33.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300020176754	0	39	-1.0	-46.05	332.10	7.15	-38.90
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300020176754	1	39	-1.0	-46.10	332.06	7.14	-38.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2CCCO2)N=N1	REAL300020176755	0	40	-1.0	-50.96	341.04	2.92	-48.04
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2CCCO2)N=N1	REAL300020176755	1	40	-1.0	-51.01	341.00	2.90	-48.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2C=CC(C(F)(F)F)=NC2=N1	REAL300020176756	0	34	-1.0	-53.37	323.04	6.75	-46.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2C=CC(C(F)(F)F)=NC2=N1	REAL300020176756	1	34	-1.0	-53.36	323.00	6.74	-46.62
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(OC)=N1	REAL300020176757	0	37	-1.0	-40.97	318.67	2.12	-38.85
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(OC)=N1	REAL300020176757	1	37	-1.0	-41.02	318.62	2.12	-38.90
CC(C)CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)C	REAL300020176758	0	44	-1.0	-39.23	333.52	7.14	-32.09
CC(C)CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)C	REAL300020176758	1	44	-1.0	-39.16	333.58	7.14	-32.02
CC1(C)C2CCC(C2)C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176759	0	43	-1.0	-39.15	319.34	6.87	-32.28
CC1(C)C2CCC(C2)C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176759	1	43	-1.0	-39.16	319.42	6.88	-32.28
NC(=O)C1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176760	0	37	-1.0	-45.97	319.68	2.91	-43.06
NC(=O)C1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176760	1	37	-1.0	-45.97	319.72	2.91	-43.06
CCC(=O)NC1=CN=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176761	0	39	-1.0	-49.80	332.04	3.40	-46.40
CCC(=O)NC1=CN=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176761	1	39	-1.0	-49.84	332.00	3.39	-46.45
CCC[C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020176762	0	52	-1.0	-41.04	406.35	5.47	-35.57
CCC[C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020176762	1	52	-1.0	-41.01	406.40	5.48	-35.53
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176763	0	50	-1.0	-46.32	393.36	6.29	-40.03
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176763	1	50	-1.0	-46.27	393.41	6.31	-39.96
CCC[C@@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020176764	0	52	-1.0	-41.73	406.32	5.47	-36.26
CCC[C@@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020176764	1	52	-1.0	-41.74	406.36	5.47	-36.27
CC(C)(C)OC(=O)NC1CC2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC21	REAL300020176765	0	54	-1.0	-42.37	416.07	6.58	-35.79
CC(C)(C)OC(=O)NC1CC2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC21	REAL300020176765	1	54	-1.0	-42.39	416.12	6.58	-35.81
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COCC1CCN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C1	REAL300020176779	1	49	-1.0	-40.59	392.92	5.64	-34.95
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NC(=O)C1=CC=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176798	0	33	-1.0	-51.02	292.68	0.53	-50.49
NC(=O)C1=CC=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176798	1	33	-1.0	-51.01	292.64	0.52	-50.49
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CC1(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCCC1	REAL300020176804	0	40	-1.0	-39.88	318.70	5.82	-34.06
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CC1(C)COCC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020176813	1	41	-1.0	-41.88	328.60	4.37	-37.51
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CC1(C)CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCO1	REAL300020176814	1	40	-1.0	-37.86	312.49	4.45	-33.41
CN1C=C(C2=NOC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)C=N1	REAL300020176815	0	38	-1.0	-44.93	334.22	4.57	-40.36
CN1C=C(C2=NOC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)C=N1	REAL300020176815	1	38	-1.0	-44.90	334.17	4.57	-40.33
O=C(CCCCC(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176816	0	35	-1.0	-38.84	308.76	5.89	-32.95
O=C(CCCCC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176816	1	35	-1.0	-38.83	308.81	5.90	-32.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@H]1C[C@@H](OC(F)F)C1	REAL300020176817	0	34	-1.0	-40.98	298.35	3.79	-37.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H]1C[C@@H](OC(F)F)C1	REAL300020176817	1	34	-1.0	-40.92	298.40	3.79	-37.13
CN1N=CC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176818	0	33	-1.0	-40.44	296.02	3.68	-36.76
CN1N=CC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176818	1	33	-1.0	-40.49	295.97	3.65	-36.84
COC1=CC=C(C(F)(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020176819	0	36	-1.0	-39.70	322.06	2.92	-36.78
COC1=CC=C(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020176819	1	36	-1.0	-39.71	322.01	2.91	-36.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CSC=N1	REAL300020176820	0	29	-1.0	-44.33	279.60	3.90	-40.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1=CSC=N1	REAL300020176820	1	29	-1.0	-44.38	279.56	3.90	-40.48
CC(C)(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176821	0	41	-1.0	-47.59	337.00	6.33	-41.26
CC(C)(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176821	1	41	-1.0	-47.59	336.96	6.32	-41.27
COC1=CC=CC=C1C1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176822	0	40	-1.0	-44.25	355.57	6.12	-38.13
COC1=CC=CC=C1C1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176822	1	40	-1.0	-44.37	355.53	6.12	-38.25
CC1=NC2=C(CCCC2CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020176823	0	42	-1.0	-46.66	339.33	4.92	-41.74
CC1=NC2=C(CCCC2CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020176823	1	42	-1.0	-44.91	340.40	4.95	-39.96
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176824	0	41	-1.0	-47.48	349.56	3.98	-43.50
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176824	1	41	-1.0	-47.49	349.61	3.99	-43.50
CCCCCC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176825	0	48	-1.0	-39.22	392.51	9.91	-29.31
CCCCCC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176825	1	48	-1.0	-39.17	392.56	9.91	-29.26
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1COC2=C(F)C=C(F)C=C2C1	REAL300020176826	0	38	-1.0	-38.47	328.38	6.14	-32.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1COC2=C(F)C=C(F)C=C2C1	REAL300020176826	1	38	-1.0	-38.44	328.42	6.14	-32.30
COC(=O)[C@H]1C[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176827	0	36	-1.0	-42.80	307.62	5.10	-37.70
COC(=O)[C@H]1C[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176827	1	36	-1.0	-42.80	307.66	5.11	-37.69
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176828	0	45	-1.0	-42.23	368.13	8.10	-34.13
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176828	1	45	-1.0	-42.19	368.17	8.11	-34.08
CCCCC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176829	0	38	-1.0	-40.98	334.33	5.67	-35.31
CCCCC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176829	1	38	-1.0	-41.00	334.37	5.67	-35.33
CC(C)(C)OCC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176830	0	42	-1.0	-39.85	360.42	4.49	-35.36
CC(C)(C)OCC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176830	1	42	-1.0	-39.80	360.45	4.50	-35.30
CCC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020176831	0	32	-1.0	-46.10	292.20	3.95	-42.15
CCC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020176831	1	32	-1.0	-46.11	292.24	3.95	-42.16
CC1=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=CC=C1[N+](=O)[O-]	REAL300020176832	0	39	-1.0	-38.91	340.36	6.65	-32.26
CC1=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=CC=C1[N+](=O)[O-]	REAL300020176832	1	39	-1.0	-38.89	340.41	6.65	-32.24
COC1=CC(F)=CC(N2C=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)=C1	REAL300020176833	0	41	-1.0	-49.83	357.81	5.98	-43.85
COC1=CC(F)=CC(N2C=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)=C1	REAL300020176833	1	41	-1.0	-49.86	357.77	5.97	-43.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020176834	0	52	-1.0	-40.69	424.83	11.76	-28.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020176834	1	52	-1.0	-40.66	424.86	11.77	-28.89
CC(=O)N1CSC[C@@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176835	0	35	-1.0	-43.64	302.89	4.50	-39.14
CC(=O)N1CSC[C@@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176835	1	35	-1.0	-43.68	302.93	4.52	-39.16
CN(C)C1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)SC2=CC=C1	REAL300020176836	0	41	-1.0	-44.07	354.91	6.38	-37.69
CN(C)C1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)SC2=CC=C1	REAL300020176836	1	41	-1.0	-44.08	354.95	6.38	-37.70
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C2CC1(C1=CC=NC=C1)CC2	REAL300020176837	0	43	-1.0	-41.53	337.87	7.27	-34.26
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C2CC1(C1=CC=NC=C1)CC2	REAL300020176837	1	43	-1.0	-43.64	340.48	7.22	-36.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL300020176838	0	37	-1.0	-41.56	324.98	7.58	-33.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL300020176838	1	37	-1.0	-41.52	325.02	7.58	-33.94
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=N1	REAL300020176839	0	33	-1.0	-37.64	301.32	2.65	-34.99
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=N1	REAL300020176839	1	33	-1.0	-37.58	301.27	2.65	-34.93
CCC1=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CNC2=N1	REAL300020176840	0	38	-1.0	-52.54	324.33	5.22	-47.32
CCC1=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CNC2=N1	REAL300020176840	1	38	-1.0	-52.60	323.36	5.20	-47.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=C(CC3CC3)N=C2NC=C1	REAL300020176841	0	42	-1.0	-52.64	355.21	6.83	-45.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=C(CC3CC3)N=C2NC=C1	REAL300020176841	1	42	-1.0	-52.63	354.25	6.80	-45.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1CCCCCCC1	REAL300020176842	0	46	-1.0	-38.60	337.49	5.03	-33.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1CCCCCCC1	REAL300020176842	1	46	-1.0	-38.59	337.53	5.03	-33.56
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(Cl)O1	REAL300020176843	0	32	-1.0	-41.74	316.41	-0.95	-42.69
NS(=O)(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(Cl)O1	REAL300020176843	1	32	-1.0	-41.70	316.46	-0.94	-42.64
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C2CCCCC2=N1	REAL300020176844	0	42	-1.0	-39.79	334.53	6.76	-33.03
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C2CCCCC2=N1	REAL300020176844	1	42	-1.0	-39.79	334.58	6.76	-33.03
CC[C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020176845	0	49	-1.0	-41.19	384.85	4.72	-36.47
CC[C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020176845	1	49	-1.0	-41.18	384.90	4.72	-36.46
CC[C@@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020176846	0	49	-1.0	-41.05	385.80	4.74	-36.31
CC[C@@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020176846	1	49	-1.0	-41.04	385.83	4.74	-36.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(CC2=CC=CC=C2)C1=O	REAL300020176847	0	44	-1.0	-50.30	369.47	7.03	-43.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(CC2=CC=CC=C2)C1=O	REAL300020176847	1	44	-1.0	-50.27	369.52	7.04	-43.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC(F)=CC=C2F)C=C1	REAL300020176848	0	37	-1.0	-48.99	331.68	6.65	-42.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC(F)=CC=C2F)C=C1	REAL300020176848	1	37	-1.0	-49.04	331.63	6.65	-42.39
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL300020176849	0	34	-1.0	-46.43	304.69	-1.87	-48.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL300020176849	1	34	-1.0	-46.35	304.73	-1.87	-48.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(O)(C2=CC=CC=C2)C1	REAL300020176850	0	44	-1.0	-41.57	354.66	5.32	-36.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(O)(C2=CC=CC=C2)C1	REAL300020176850	1	44	-1.0	-41.59	354.71	5.32	-36.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2N=C(C3CCCCC3)OC2=C1	REAL300020176851	0	48	-1.0	-40.10	388.96	6.42	-33.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2N=C(C3CCCCC3)OC2=C1	REAL300020176851	1	48	-1.0	-40.05	389.00	6.43	-33.62
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C1=CC=C(F)C=C1	REAL300020176852	0	40	-1.0	-46.14	346.49	6.54	-39.60
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C1=CC=C(F)C=C1	REAL300020176852	1	40	-1.0	-46.17	346.44	6.54	-39.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(CC2=CC=CC=C2F)C1	REAL300020176853	0	44	-1.0	-40.88	372.02	6.93	-33.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(CC2=CC=CC=C2F)C1	REAL300020176853	1	44	-1.0	-40.91	372.06	6.93	-33.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC12C(=O)NC1=CC=CC=C12	REAL300020176854	0	39	-1.0	-43.73	331.09	4.90	-38.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC12C(=O)NC1=CC=CC=C12	REAL300020176854	1	39	-1.0	-43.68	331.13	4.90	-38.78
COC1=CC=C(N2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=N2)C=C1	REAL300020176855	0	40	-1.0	-49.12	347.30	4.46	-44.66
COC1=CC=C(N2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=N2)C=C1	REAL300020176855	1	40	-1.0	-49.21	348.27	4.48	-44.73
O=C(CN1N=NN=C1C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176856	0	38	-1.0	-40.07	328.83	5.04	-35.03
O=C(CN1N=NN=C1C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176856	1	38	-1.0	-40.09	328.87	5.04	-35.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL300020176857	0	37	-1.0	-42.74	326.73	4.92	-37.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL300020176857	1	37	-1.0	-42.70	326.77	4.93	-37.77
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176858	0	41	-1.0	-41.89	360.15	7.30	-34.59
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176858	1	41	-1.0	-41.93	360.19	7.30	-34.63
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)O2)N1	REAL300020176859	0	37	-1.0	-44.86	332.81	4.14	-40.72
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)O2)N1	REAL300020176859	1	37	-1.0	-44.89	332.85	4.14	-40.75
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)O2)[N-]1	REAL300020176859	1	36	-2.0	-92.61	329.38	3.72	-88.89
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)O2)[N-]1	REAL300020176859	1	36	-2.0	-92.55	329.42	3.72	-88.83
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020176860	0	40	-1.0	-40.40	331.35	5.92	-34.48
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020176860	1	40	-1.0	-40.35	331.39	5.92	-34.43
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(F)F	REAL300020176861	0	33	-1.0	-45.46	295.30	3.89	-41.57
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(F)F	REAL300020176861	1	33	-1.0	-45.45	295.35	3.89	-41.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL300020176862	0	39	-1.0	-42.46	341.27	8.15	-34.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL300020176862	1	39	-1.0	-42.45	341.31	8.16	-34.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(C(F)F)=C1	REAL300020176863	0	33	-1.0	-37.76	300.66	6.44	-31.32
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC(=O)C2)C=C1	REAL300020176915	1	39	-1.0	-43.48	329.99	7.18	-36.30
O=C(CCC1=C2C=CC=CC2=NN1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176916	0	39	-1.0	-41.89	334.42	5.55	-36.34
O=C(CCC1=C2C=CC=CC2=NN1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176916	1	39	-1.0	-41.91	334.46	5.56	-36.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C([N+](=O)[O-])=NN1	REAL300020176917	0	29	-1.0	-33.66	286.67	4.09	-29.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C([N+](=O)[O-])=NN1	REAL300020176917	1	29	-1.0	-33.66	286.71	4.09	-29.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CNN=C2C=C1	REAL300020176918	0	32	-1.0	-45.86	284.80	2.41	-43.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CNN=C2C=C1	REAL300020176918	1	32	-1.0	-45.79	284.85	2.41	-43.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1(O)CCOCC1	REAL300020176919	0	39	-1.0	-38.92	309.21	-0.53	-39.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1(O)CCOCC1	REAL300020176919	1	39	-1.0	-38.87	309.25	-0.53	-39.40
COC1=C(Cl)C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176920	0	34	-1.0	-39.92	305.71	6.47	-33.45
COC1=C(Cl)C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176920	1	34	-1.0	-39.86	305.76	6.48	-33.38
CC1=CC=CC(NC(=O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176921	0	37	-1.0	-44.29	318.54	4.38	-39.91
CC1=CC=CC(NC(=O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176921	1	37	-1.0	-44.23	318.59	4.37	-39.86
CC(C)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C(C)C)N1	REAL300020176922	0	46	-1.0	-45.07	370.37	7.08	-37.99
CC(C)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C(C)C)N1	REAL300020176922	1	46	-1.0	-45.03	370.42	7.08	-37.95
CC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C2CCCCN12	REAL300020176923	0	40	-1.0	-52.02	327.37	6.18	-45.84
CC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C2CCCCN12	REAL300020176923	1	40	-1.0	-51.99	327.42	6.18	-45.81
CCCOC1=CC=C2NC=C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020176924	0	47	-1.0	-44.59	389.94	7.20	-37.39
CCCOC1=CC=C2NC=C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020176924	1	47	-1.0	-44.50	389.99	7.20	-37.30
N#CC1=C2CCCCN2C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176925	0	39	-1.0	-38.25	324.79	7.17	-31.08
N#CC1=C2CCCCN2C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176925	1	39	-1.0	-38.30	324.86	7.17	-31.13
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020176926	0	38	-1.0	-45.48	347.38	2.71	-42.77
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020176926	1	38	-1.0	-45.41	347.43	2.71	-42.70
COC(=O)C1=C2CCCCN2C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176927	0	44	-1.0	-39.88	357.68	7.35	-32.53
COC(=O)C1=C2CCCCN2C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176927	1	44	-1.0	-39.87	357.74	7.36	-32.51
CN1N=CC(Cl)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176928	0	33	-1.0	-38.66	302.75	4.17	-34.49
CN1N=CC(Cl)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176928	1	33	-1.0	-38.60	302.80	4.17	-34.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=NNC(=O)N2C1	REAL300020176929	0	37	-1.0	-48.05	309.93	3.24	-44.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=NNC(=O)N2C1	REAL300020176929	1	37	-1.0	-48.00	309.98	3.25	-44.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2CCOCC2=C1	REAL300020176930	0	36	-1.0	-45.64	304.27	4.31	-41.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2CCOCC2=C1	REAL300020176930	1	36	-1.0	-45.61	304.31	4.31	-41.30
CC(C)(C)OC(=O)N[C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)(C)C	REAL300020176931	0	55	-1.0	-40.39	416.91	6.00	-34.39
CC(C)(C)OC(=O)N[C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)(C)C	REAL300020176931	1	55	-1.0	-40.35	416.95	6.01	-34.34
CC1=CC(C(=O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020176932	0	35	-1.0	-40.55	308.71	5.99	-34.56
CC1=CC(C(=O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020176932	1	35	-1.0	-40.53	308.75	6.00	-34.53
COC1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=CC1=O	REAL300020176933	0	40	-1.0	-48.03	337.36	5.60	-42.43
COC1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=CC1=O	REAL300020176933	1	40	-1.0	-48.00	337.40	5.59	-42.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(CC1=CC=CC=C1)C1CC1	REAL300020176934	0	43	-1.0	-37.75	346.52	9.18	-28.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(CC1=CC=CC=C1)C1CC1	REAL300020176934	1	43	-1.0	-37.75	346.56	9.19	-28.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=CN=C2)=N1	REAL300020176935	0	35	-1.0	-51.04	323.85	4.52	-46.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=CN=C2)=N1	REAL300020176935	1	35	-1.0	-51.05	323.80	4.51	-46.54
O=C(CN1N=CC=C1C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176936	0	40	-1.0	-43.39	338.40	6.60	-36.79
O=C(CN1N=CC=C1C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176936	1	40	-1.0	-43.47	338.35	6.60	-36.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL300020176937	0	44	-1.0	-40.60	340.70	7.92	-32.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL300020176937	1	44	-1.0	-40.49	340.74	7.93	-32.56
CC1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020176938	0	40	-1.0	-40.05	353.43	7.01	-33.04
CC1=CC=C(OCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020176938	1	40	-1.0	-40.02	353.47	7.02	-33.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300020176939	0	36	-1.0	-41.84	324.65	3.24	-38.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300020176939	1	36	-1.0	-41.85	324.69	3.23	-38.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1F	REAL300020176940	0	34	-1.0	-37.72	311.93	5.36	-32.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1F	REAL300020176940	1	34	-1.0	-37.68	311.98	5.36	-32.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1	REAL300020176941	0	41	-1.0	-39.56	361.04	9.26	-30.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1	REAL300020176941	1	41	-1.0	-39.55	361.09	9.26	-30.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=C(F)C(F)=C1F	REAL300020176942	0	32	-1.0	-42.74	298.13	5.50	-37.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=C(F)C(F)=C1F	REAL300020176942	1	32	-1.0	-43.08	299.19	5.52	-37.56
O=C(CCC1=CC=C(CO)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176943	0	40	-1.0	-41.21	340.34	4.29	-36.92
O=C(CCC1=CC=C(CO)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176943	1	40	-1.0	-41.18	340.38	4.30	-36.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2C=C(CCO)C=NC2=N1	REAL300020176944	0	38	-1.0	-54.97	335.82	3.68	-51.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2C=C(CCO)C=NC2=N1	REAL300020176944	1	38	-1.0	-55.02	335.77	3.68	-51.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2C(=C1)N=CC=C2C(F)(F)F	REAL300020176945	0	35	-1.0	-52.78	325.96	5.14	-47.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2C(=C1)N=CC=C2C(F)(F)F	REAL300020176945	1	35	-1.0	-52.82	325.92	5.14	-47.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C=NS1	REAL300020176946	0	26	-1.0	-36.65	267.36	3.74	-32.91
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)C=NS1	REAL300020176946	1	26	-1.0	-36.63	267.32	3.74	-32.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=NC=CN2C(C(F)(F)F)=N1	REAL300020176947	0	35	-1.0	-46.93	324.69	5.04	-41.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=NC=CN2C(C(F)(F)F)=N1	REAL300020176947	1	35	-1.0	-46.90	324.65	5.04	-41.86
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176948	0	51	-1.0	-42.16	401.22	3.91	-38.25
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176948	1	51	-1.0	-42.13	401.26	3.92	-38.21
CC(C)(C)OC(=O)N1CC(O)(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176949	0	48	-1.0	-41.37	388.14	3.50	-37.87
CC(C)(C)OC(=O)N1CC(O)(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176949	1	48	-1.0	-41.38	388.19	3.51	-37.87
CC(C)(C)OC(=O)N1CCCC(F)(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176950	0	50	-1.0	-49.21	396.52	6.33	-42.88
CC(C)(C)OC(=O)N1CCCC(F)(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176950	1	50	-1.0	-49.15	396.56	6.34	-42.81
CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176951	0	53	-1.0	-46.24	401.43	7.34	-38.90
CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176951	1	53	-1.0	-46.25	401.47	7.34	-38.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2NCCC(C(F)(F)F)N2N=C1	REAL300020176952	0	39	-1.0	-46.92	337.62	4.18	-42.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2NCCC(C(F)(F)F)N2N=C1	REAL300020176952	1	39	-1.0	-46.95	337.58	4.18	-42.77
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C[C@H]12	REAL300020176953	0	54	-1.0	-41.58	410.34	6.99	-34.59
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C[C@H]12	REAL300020176953	1	54	-1.0	-41.60	410.39	7.00	-34.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(Cl)C=C1Cl	REAL300020176954	0	29	-1.0	-37.13	286.13	4.65	-32.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(Cl)C=C1Cl	REAL300020176954	1	29	-1.0	-37.14	286.09	4.65	-32.49
CN(C)C1=NC=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176955	0	36	-1.0	-42.17	326.28	6.56	-35.61
CN(C)C1=NC=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176955	1	36	-1.0	-42.15	326.23	6.55	-35.60
CC1=CN=C2C(=C1)C=NN2CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176956	0	38	-1.0	-47.74	330.16	5.56	-42.18
CC1=CN=C2C(=C1)C=NN2CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176956	1	38	-1.0	-47.77	330.12	5.56	-42.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2C=C([N+](=O)[O-])C=N2)C=C1	REAL300020176957	0	42	-1.0	-47.45	374.51	7.84	-39.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2C=C([N+](=O)[O-])C=N2)C=C1	REAL300020176957	1	42	-1.0	-47.45	374.46	7.84	-39.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2C=NC([N+](=O)[O-])=N2)C=C1	REAL300020176958	0	41	-1.0	-51.83	370.82	10.86	-40.97
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2C=NC([N+](=O)[O-])=N2)C=C1	REAL300020176958	1	41	-1.0	-51.97	370.78	10.86	-41.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2CCCCO2)N=C1	REAL300020176959	0	44	-1.0	-46.32	361.71	5.36	-40.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2CCCCO2)N=C1	REAL300020176959	1	44	-1.0	-46.27	361.67	5.35	-40.92
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC2=C1CCCCCC2	REAL300020176960	0	43	-1.0	-41.38	336.50	7.90	-33.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC2=C1CCCCCC2	REAL300020176960	1	43	-1.0	-41.34	336.54	7.90	-33.44
CC1(C)CCC2=C(C1)SC=C2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176961	0	43	-1.0	-40.95	347.13	7.96	-32.99
CC1(C)CCC2=C(C1)SC=C2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176961	1	43	-1.0	-40.91	347.17	7.96	-32.95
CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1(O)CCCCC1	REAL300020176962	0	46	-1.0	-40.14	335.89	5.89	-34.25
CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1(O)CCCCC1	REAL300020176962	1	46	-1.0	-40.17	335.94	5.89	-34.28
CC(C)C(O)C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176963	0	36	-1.0	-38.56	302.80	2.66	-35.90
CC(C)C(O)C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176963	1	36	-1.0	-38.56	302.87	2.67	-35.89
C#CC1=CC=CC(NC(=O)CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176964	0	39	-1.0	-50.30	344.31	6.90	-43.40
C#CC1=CC=CC(NC(=O)CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176964	1	39	-1.0	-50.27	344.35	6.90	-43.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C(O)C1=CC=CC=C1	REAL300020176965	0	37	-1.0	-41.17	323.01	4.39	-36.78
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CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC(C2=CC=CN=C2)=N1	REAL300020177010	1	39	-1.0	-41.37	335.29	4.75	-36.62
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC(C2=CC=CN=C2)=N1	REAL300020177010	1	39	-1.0	-41.35	335.33	4.75	-36.60
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CC1=CC(C)=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)SC2=N1	REAL300020177011	1	38	-1.0	-46.92	335.64	6.18	-40.74
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NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CN=C1C(F)(F)F	REAL300020177013	1	34	-1.0	-35.61	302.63	3.16	-32.45
CC1=NSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N	REAL300020177014	0	31	-1.0	-41.84	279.40	1.85	-39.99
CC1=NSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N	REAL300020177014	1	31	-1.0	-41.83	279.44	1.85	-39.98
COC1(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCCCC1	REAL300020177015	0	43	-1.0	-39.66	334.39	6.06	-33.60
COC1(C(F)(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCCCC1	REAL300020177015	1	43	-1.0	-39.65	334.44	6.06	-33.59
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COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020177017	0	37	-1.0	-40.53	310.95	5.53	-35.00
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020177017	1	37	-1.0	-40.53	310.99	5.53	-35.00
COC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CS1	REAL300020177018	0	31	-1.0	-44.64	282.68	4.80	-39.84
COC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CS1	REAL300020177018	1	31	-1.0	-44.62	282.72	4.80	-39.82
CN(C)S(=O)(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020177019	0	46	-1.0	-41.36	377.04	2.52	-38.84
CN(C)S(=O)(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020177019	1	46	-1.0	-41.35	377.08	2.52	-38.83
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O=C(CCC1=CN=CC(Br)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177020	1	35	-1.0	-38.57	323.69	5.78	-32.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C(F)(F)C12CCC2	REAL300020177021	0	34	-1.0	-41.15	293.86	6.02	-35.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C(F)(F)C12CCC2	REAL300020177021	1	34	-1.0	-41.15	293.90	6.03	-35.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(OC(F)F)=C1	REAL300020177022	0	34	-1.0	-41.44	307.14	5.13	-36.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(OC(F)F)=C1	REAL300020177022	1	34	-1.0	-41.42	307.18	5.13	-36.29
CCCCCCCCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177023	0	54	-1.0	-40.64	432.38	11.59	-29.05
CCCCCCCCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177023	1	54	-1.0	-40.61	432.43	11.59	-29.02
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C2CC1(C1=CC=CN=C1)CC2	REAL300020177024	1	43	-1.0	-47.62	340.02	7.12	-40.50
COCC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCCC1	REAL300020177025	0	43	-1.0	-39.16	334.74	5.37	-33.79
COCC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCCC1	REAL300020177025	1	43	-1.0	-39.11	334.79	5.37	-33.74
CC(C)(C)C1=CN=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177026	0	41	-1.0	-39.17	344.71	6.41	-32.76
CC(C)(C)C1=CN=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177026	1	41	-1.0	-39.20	344.66	6.41	-32.79
CC1(C)OC(=O)C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020177027	0	40	-1.0	-42.30	341.75	7.18	-35.12
CC1(C)OC(=O)C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020177027	1	40	-1.0	-42.28	341.80	7.18	-35.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=C(F)C=CC=C2F)=NO1	REAL300020177028	0	36	-1.0	-46.44	326.99	6.55	-39.89
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NC(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177029	0	36	-1.0	-54.17	323.06	2.10	-52.07
NC(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177029	1	36	-1.0	-54.08	323.10	2.11	-51.97
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177030	0	47	-1.0	-43.21	381.23	1.07	-42.14
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177030	1	47	-1.0	-40.02	382.20	1.04	-38.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(CCl)=C1	REAL300020177031	0	33	-1.0	-40.95	300.04	6.76	-34.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(CCl)=C1	REAL300020177031	1	33	-1.0	-40.91	300.08	6.76	-34.15
N#CC1=C(N)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020177032	0	33	-1.0	-41.97	301.21	2.83	-39.14
N#CC1=C(N)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020177032	1	33	-1.0	-41.99	301.17	2.82	-39.17
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CN1N=C(C2CCOCC2)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177033	1	44	-1.0	-38.52	350.94	4.82	-33.70
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177034	0	40	-1.0	-57.55	345.84	7.46	-50.09
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177034	1	40	-1.0	-57.60	345.80	7.46	-50.14
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COC(=O)C1=CN=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020177036	0	38	-1.0	-39.63	320.95	4.88	-34.75
COC(=O)C1=CN=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020177036	1	38	-1.0	-39.59	321.00	4.88	-34.71
CCCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OC	REAL300020177037	0	38	-1.0	-40.46	313.45	6.17	-34.29
CCCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OC	REAL300020177037	1	38	-1.0	-40.39	313.45	6.16	-34.23
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300020177038	0	40	-1.0	-54.76	349.42	7.22	-47.54
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300020177038	1	40	-1.0	-54.74	349.51	7.23	-47.51
CC(=O)NC1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020177039	0	43	-1.0	-42.70	342.61	4.45	-38.25
CC(=O)NC1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020177039	1	43	-1.0	-42.74	342.65	4.45	-38.29
CN(C)C(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020177040	0	39	-1.0	-38.84	330.25	4.61	-34.23
CN(C)C(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020177040	1	39	-1.0	-38.88	330.20	4.62	-34.26
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC2=CC=CC=C2C1=O	REAL300020177041	0	38	-1.0	-41.79	326.63	6.44	-35.35
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC2=CC=CC=C2C1=O	REAL300020177041	1	38	-1.0	-40.61	325.67	6.41	-34.20
CNC(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177042	0	39	-1.0	-54.92	344.99	3.56	-51.36
CNC(=O)NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177042	1	39	-1.0	-54.86	345.03	3.57	-51.29
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC(F)F	REAL300020177043	0	37	-1.0	-44.31	320.79	5.79	-38.52
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC(F)F	REAL300020177043	1	37	-1.0	-44.29	320.82	5.79	-38.50
CN1C=C(Br)C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020177044	0	33	-1.0	-44.04	308.87	4.39	-39.65
CN1C=C(Br)C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020177044	1	33	-1.0	-44.00	308.91	4.39	-39.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(C(F)(F)F)N1	REAL300020177045	0	35	-1.0	-39.03	305.02	2.51	-36.52
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(C(F)(F)F)N1	REAL300020177045	1	35	-1.0	-38.99	305.06	2.51	-36.48
CCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC2=CC=CC=C21	REAL300020177046	0	39	-1.0	-45.06	336.26	8.26	-36.80
CCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=CC=CC=C21	REAL300020177046	1	39	-1.0	-45.06	336.29	8.27	-36.79
C[C@H](CC1CCCCC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177047	0	45	-1.0	-38.16	343.42	7.60	-30.56
C[C@H](CC1CCCCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177047	1	45	-1.0	-38.13	343.47	7.60	-30.53
O=C(CN1C=CC2=CC(Br)=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177048	0	37	-1.0	-40.15	339.64	8.23	-31.92
O=C(CN1C=CC2=CC(Br)=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177048	1	37	-1.0	-40.16	339.69	8.22	-31.94
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2C=CC=C(Br)C2=N1	REAL300020177049	0	32	-1.0	-54.20	308.96	5.62	-48.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2C=CC=C(Br)C2=N1	REAL300020177049	1	32	-1.0	-54.21	308.92	5.62	-48.59
CC1=CC(COCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020177050	0	36	-1.0	-41.89	316.79	4.62	-37.27
CC1=CC(COCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020177050	1	36	-1.0	-41.85	316.83	4.63	-37.22
CC1=CC=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C12	REAL300020177051	0	38	-1.0	-44.09	321.93	6.67	-37.42
CC1=CC=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C12	REAL300020177051	1	38	-1.0	-44.15	322.89	6.70	-37.45
CCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=N1	REAL300020177052	0	39	-1.0	-39.74	327.67	5.45	-34.29
CCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=N1	REAL300020177052	1	39	-1.0	-39.72	327.72	5.45	-34.27
CCCN1N=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020177053	0	39	-1.0	-43.67	326.23	5.36	-38.31
CCCN1N=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020177053	1	39	-1.0	-43.64	326.27	5.37	-38.27
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020177054	0	41	-1.0	-41.33	342.95	6.50	-34.83
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020177054	1	41	-1.0	-41.29	342.99	6.50	-34.79
CC(C)C1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N1	REAL300020177055	0	43	-1.0	-46.73	337.84	4.05	-42.68
CC(C)C1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N1	REAL300020177055	1	43	-1.0	-46.68	337.89	4.05	-42.63
CC1=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=CC(Br)=C1	REAL300020177056	0	37	-1.0	-37.38	337.73	6.67	-30.71
CC1=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=CC(Br)=C1	REAL300020177056	1	37	-1.0	-37.31	336.77	6.66	-30.65
NC1=C(Cl)N=CN=C1NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177057	0	35	-1.0	-38.28	317.56	2.26	-36.02
NC1=C(Cl)N=CN=C1NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177057	1	35	-1.0	-38.33	317.51	2.25	-36.08
CC1=C(C(F)(F)F)NN=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177058	0	33	-1.0	-40.50	300.90	3.48	-37.02
CC1=C(C(F)(F)F)NN=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177058	1	33	-1.0	-40.47	300.95	3.48	-36.99
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177059	0	44	-1.0	-41.36	362.42	0.76	-40.60
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177059	1	44	-1.0	-43.97	363.42	0.79	-43.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CNC=N2)=N1	REAL300020177060	0	33	-1.0	-58.80	309.04	3.82	-54.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CNC=N2)=N1	REAL300020177060	1	33	-1.0	-58.80	309.09	3.81	-54.99
O=C(CC1=NC(C(F)(F)F)=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177061	0	32	-1.0	-42.07	310.54	4.24	-37.83
O=C(CC1=NC(C(F)(F)F)=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177061	1	32	-1.0	-42.12	310.58	4.24	-37.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)N1CC2=CC=CC=C2C1	REAL300020177062	0	36	-1.0	-41.72	304.18	6.49	-35.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)N1CC2=CC=CC=C2C1	REAL300020177062	1	36	-1.0	-41.66	304.22	6.49	-35.17
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020177063	0	39	-1.0	-39.02	332.04	6.82	-32.20
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020177063	1	39	-1.0	-39.00	332.09	6.82	-32.18
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CN1C=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020177113	1	37	-1.0	-44.59	317.94	5.25	-39.34
COC1=CN(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300020177114	0	37	-1.0	-54.26	311.33	4.71	-49.55
COC1=CN(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300020177114	1	37	-1.0	-54.18	311.37	4.71	-49.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC2=C1NC=N2	REAL300020177115	0	37	-1.0	-39.26	300.97	5.68	-33.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC2=C1NC=N2	REAL300020177115	1	37	-1.0	-39.26	301.02	5.68	-33.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN2N=CN=C2C1	REAL300020177116	0	36	-1.0	-41.78	300.52	5.43	-36.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN2N=CN=C2C1	REAL300020177116	1	36	-1.0	-41.72	300.57	5.43	-36.29
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177117	0	40	-1.0	-40.55	353.53	6.32	-34.23
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177117	1	40	-1.0	-40.55	353.57	6.31	-34.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=C1C(=O)NCC2	REAL300020177118	0	35	-1.0	-52.07	301.47	3.40	-48.67
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=C1C(=O)NCC2	REAL300020177118	1	35	-1.0	-52.08	301.52	3.40	-48.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL300020177119	0	37	-1.0	-40.44	334.89	7.99	-32.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL300020177119	1	37	-1.0	-40.23	335.94	8.02	-32.21
CN1C=CC(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NO2)=N1	REAL300020177120	0	36	-1.0	-48.00	324.10	4.25	-43.75
CN1C=CC(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NO2)=N1	REAL300020177120	1	36	-1.0	-47.94	324.14	4.25	-43.69
O=C(COCCC1=CC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177121	0	37	-1.0	-40.20	332.33	6.32	-33.88
O=C(COCCC1=CC=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177121	1	37	-1.0	-40.16	332.37	6.33	-33.83
CC1=CC(Br)=CC(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177122	0	39	-1.0	-37.85	341.43	7.82	-30.03
CC1=CC(Br)=CC(C)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177122	1	39	-1.0	-37.88	341.48	7.82	-30.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C=CC=C(Br)C2=N1	REAL300020177123	0	33	-1.0	-54.61	312.33	6.49	-48.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C=CC=C(Br)C2=N1	REAL300020177123	1	33	-1.0	-54.57	312.29	6.49	-48.08
COC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCOC1	REAL300020177124	0	41	-1.0	-39.52	329.35	4.03	-35.49
COC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCOC1	REAL300020177124	1	41	-1.0	-42.52	330.35	4.07	-38.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL300020177125	0	44	-1.0	-43.09	346.85	8.99	-34.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL300020177125	1	44	-1.0	-43.07	346.87	9.00	-34.07
CN1C=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020177126	0	37	-1.0	-44.85	315.14	7.24	-37.61
CN1C=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020177126	1	37	-1.0	-44.80	315.19	7.25	-37.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=C2OC=CC2=C1	REAL300020177127	0	33	-1.0	-42.22	293.37	5.90	-36.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=C2OC=CC2=C1	REAL300020177127	1	33	-1.0	-42.20	293.41	5.90	-36.30
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177128	0	49	-1.0	-42.47	404.47	4.14	-38.33
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177128	1	49	-1.0	-42.45	404.43	4.13	-38.32
CCN1N=CC(Br)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177129	0	33	-1.0	-35.85	293.21	5.22	-30.63
CCN1N=CC(Br)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177129	1	33	-1.0	-35.85	293.17	5.21	-30.64
CCN1C=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020177130	0	33	-1.0	-47.00	306.71	4.72	-42.28
CCN1C=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020177130	1	33	-1.0	-46.97	306.67	4.72	-42.25
CC(=O)N[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020177131	0	43	-1.0	-44.49	346.50	4.04	-40.45
CC(=O)N[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020177131	1	43	-1.0	-44.49	346.54	4.05	-40.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300020177132	0	37	-1.0	-41.69	335.43	6.92	-34.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300020177132	1	37	-1.0	-41.71	335.39	6.92	-34.79
CCC(C)(C)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177133	0	44	-1.0	-37.98	338.59	6.92	-31.06
CCC(C)(C)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177133	1	44	-1.0	-38.02	338.63	6.92	-31.10
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177134	0	40	-1.0	-40.31	334.45	8.16	-32.15
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177134	1	40	-1.0	-40.36	334.50	8.16	-32.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL300020177135	0	44	-1.0	-48.24	361.53	5.85	-42.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL300020177135	1	44	-1.0	-48.22	361.58	5.86	-42.36
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177136	0	43	-1.0	-43.37	369.43	7.79	-35.58
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177136	1	43	-1.0	-43.43	369.38	7.79	-35.64
CC1=C(C)C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N=N1	REAL300020177137	0	40	-1.0	-42.91	332.97	5.81	-37.10
CC1=C(C)C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N=N1	REAL300020177137	1	40	-1.0	-42.90	333.01	5.82	-37.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCNS1(=O)=O	REAL300020177138	0	35	-1.0	-47.01	301.80	-0.47	-47.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCNS1(=O)=O	REAL300020177138	1	35	-1.0	-46.97	301.85	-0.47	-47.44
CC1OC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1C	REAL300020177139	0	41	-1.0	-41.46	334.91	6.59	-34.87
CC1OC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C1C	REAL300020177139	1	41	-1.0	-41.45	334.95	6.59	-34.86
CN1C=C(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC1=O	REAL300020177140	0	36	-1.0	-42.15	316.84	5.01	-37.14
CN1C=C(C(F)(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC1=O	REAL300020177140	1	36	-1.0	-42.16	316.89	5.01	-37.15
COC1=CC=C2C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CNC2=C1	REAL300020177141	0	41	-1.0	-42.25	346.46	5.48	-36.77
COC1=CC=C2C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CNC2=C1	REAL300020177141	1	41	-1.0	-42.26	346.51	5.48	-36.78
CCCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)O1	REAL300020177142	0	39	-1.0	-41.27	328.07	6.64	-34.63
CCCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)O1	REAL300020177142	1	39	-1.0	-41.25	328.11	6.64	-34.61
CN1C=CC2=CC=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C21	REAL300020177143	0	36	-1.0	-46.11	310.07	5.00	-41.11
CN1C=CC2=CC=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C21	REAL300020177143	1	36	-1.0	-46.12	310.02	4.99	-41.13
O=C(CCC1=C2CCCCC2=NN1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177144	0	43	-1.0	-40.57	350.16	5.69	-34.88
O=C(CCC1=C2CCCCC2=NN1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177144	1	43	-1.0	-40.56	350.20	5.71	-34.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL300020177145	0	35	-1.0	-44.31	322.37	6.53	-37.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL300020177145	1	35	-1.0	-44.29	322.33	6.53	-37.76
O=C(C=CC1=CC=C(C(F)F)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177146	0	34	-1.0	-41.31	313.69	5.98	-35.33
O=C(C=CC1=CC=C(C(F)F)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177146	1	34	-1.0	-41.32	313.74	5.98	-35.34
O=C(CCC1=CC=C(Cl)N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177147	0	35	-1.0	-40.44	319.28	5.61	-34.83
O=C(CCC1=CC=C(Cl)N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177147	1	35	-1.0	-40.37	319.23	5.60	-34.77
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177148	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	REAL300020177148	1	41	-1.0	-41.07	333.00	6.00	-35.07
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177149	0	37	-1.0	-37.03	320.84	6.01	-31.02
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177149	1	37	-1.0	-37.08	320.89	6.01	-31.07
O=C(C=C1CCCC(C(F)(F)F)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177150	0	40	-1.0	-39.32	334.58	7.28	-32.04
O=C(C=C1CCCC(C(F)(F)F)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177150	1	40	-1.0	-39.31	334.63	7.28	-32.03
O=C(C=C1C2CC3CC(C2)CC1C3)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177151	0	45	-1.0	-40.42	336.82	7.95	-32.47
O=C(C=C1C2CC3CC(C2)CC1C3)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177151	1	45	-1.0	-40.38	336.85	7.96	-32.42
CC(=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020177152	0	39	-1.0	-40.29	344.25	8.15	-32.14
CC(=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020177152	1	39	-1.0	-40.23	344.30	8.15	-32.08
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177153	0	39	-1.0	-40.42	337.25	7.92	-32.50
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177153	1	39	-1.0	-40.43	337.31	7.93	-32.50
CCCCCCCCCC=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177154	0	51	-1.0	-39.15	411.27	10.01	-29.14
CCCCCCCCCC=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177154	1	51	-1.0	-39.11	411.31	10.02	-29.09
CC1=CC(Br)=CN=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177155	0	32	-1.0	-42.08	295.92	5.05	-37.03
CC1=CC(Br)=CN=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177155	1	32	-1.0	-42.11	295.87	5.04	-37.07
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020177156	0	39	-1.0	-38.72	340.40	7.69	-31.03
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020177156	1	39	-1.0	-38.72	340.44	7.69	-31.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC12CCOCC2	REAL300020177157	0	44	-1.0	-42.70	331.17	5.44	-37.26
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC12CCOCC2	REAL300020177157	1	44	-1.0	-42.73	331.21	5.44	-37.29
COC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020177158	0	36	-1.0	-36.68	326.28	3.30	-33.38
COC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020177158	1	36	-1.0	-36.65	325.22	3.27	-33.38
CC(C)(C)OC(=O)NC1CCOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177159	0	51	-1.0	-42.42	405.40	4.26	-38.16
CC(C)(C)OC(=O)NC1CCOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177159	1	51	-1.0	-42.40	405.45	4.27	-38.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NC=CC=C2N=C1	REAL300020177160	0	34	-1.0	-44.01	297.86	3.98	-40.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NC=CC=C2N=C1	REAL300020177160	1	34	-1.0	-43.99	297.81	3.98	-40.01
COCCC1=NC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=NO1	REAL300020177161	0	45	-1.0	-41.68	388.90	4.65	-37.03
COCCC1=NC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=NO1	REAL300020177161	1	45	-1.0	-41.69	388.85	4.65	-37.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2CC(=O)C2)N=N1	REAL300020177162	0	38	-1.0	-54.38	334.83	3.81	-50.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2CC(=O)C2)N=N1	REAL300020177162	1	38	-1.0	-54.39	334.79	3.80	-50.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL300020177163	0	35	-1.0	-48.78	319.37	5.03	-43.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL300020177163	1	35	-1.0	-48.78	319.41	5.03	-43.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC2=NC=CN12	REAL300020177164	0	30	-1.0	-42.91	277.20	5.12	-37.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC2=NC=CN12	REAL300020177164	1	30	-1.0	-42.91	277.14	5.12	-37.79
CC1(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1(F)F	REAL300020177165	0	40	-1.0	-42.53	338.30	8.08	-34.45
CC1(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC1(F)F	REAL300020177165	1	40	-1.0	-42.48	338.35	8.08	-34.40
O=C(CC1=CC2=CC=CN=C2C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177166	0	38	-1.0	-42.05	326.30	6.50	-35.55
O=C(CC1=CC2=CC=CN=C2C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177166	1	38	-1.0	-42.04	326.26	6.50	-35.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2CCC2)NC1=O	REAL300020177167	0	39	-1.0	-52.70	326.54	4.62	-48.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CCC2)NC1=O	REAL300020177167	1	39	-1.0	-52.67	326.63	4.62	-48.05
NC(=O)C1=CN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020177168	0	32	-1.0	-43.16	290.59	-1.26	-44.42
NC(=O)C1=CN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020177168	1	32	-1.0	-43.19	290.55	-1.26	-44.45
CN1N=C(C2CCC2)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177169	0	40	-1.0	-38.23	323.63	5.99	-32.24
CN1N=C(C2CCC2)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177169	1	40	-1.0	-38.26	323.69	5.99	-32.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C(Cl)S2)S1	REAL300020177170	0	30	-1.0	-38.27	307.79	6.60	-31.67
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=C(Cl)S2)S1	REAL300020177170	1	30	-1.0	-38.25	307.83	6.60	-31.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2)N=C1Cl	REAL300020177171	0	39	-1.0	-39.39	332.19	6.60	-32.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2)N=C1Cl	REAL300020177171	1	39	-1.0	-39.34	332.24	6.60	-32.74
COC(=O)C1CC2(CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)C1	REAL300020177172	0	43	-1.0	-40.16	356.48	6.96	-33.20
COC(=O)C1CC2(CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)C1	REAL300020177172	1	43	-1.0	-40.13	356.53	6.97	-33.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300020177173	0	33	-1.0	-38.17	313.30	6.90	-31.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300020177173	1	33	-1.0	-38.15	313.35	6.90	-31.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1	REAL300020177174	0	42	-1.0	-48.93	370.80	7.51	-41.42
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1	REAL300020177174	1	42	-1.0	-48.89	370.84	7.51	-41.38
CC(=O)NC1=CN=C(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177175	0	39	-1.0	-51.37	329.23	3.25	-48.12
CC(=O)NC1=CN=C(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177175	1	39	-1.0	-51.34	329.27	3.25	-48.09
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL300020177176	0	37	-1.0	-43.10	319.03	7.52	-35.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL300020177176	1	37	-1.0	-43.09	319.07	7.53	-35.56
CC1CCCN2C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C12	REAL300020177177	0	43	-1.0	-44.14	348.33	6.68	-37.46
CC1CCCN2C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C12	REAL300020177177	1	43	-1.0	-44.12	348.37	6.68	-37.44
CC1=CC(C)=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CN21	REAL300020177178	0	39	-1.0	-54.26	332.05	7.33	-46.93
CC1=CC(C)=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CN21	REAL300020177178	1	39	-1.0	-54.20	332.08	7.34	-46.86
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020177179	0	36	-1.0	-37.76	308.28	6.75	-31.01
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020177179	1	36	-1.0	-37.73	308.32	6.75	-30.98
CC(C)C1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(Cl)S1	REAL300020177180	0	35	-1.0	-45.00	323.71	5.15	-39.85
CC(C)C1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(Cl)S1	REAL300020177180	1	35	-1.0	-45.03	323.67	5.14	-39.89
O=C(CCC1=CC=C2OCC(=O)NC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177181	0	42	-1.0	-42.39	357.27	4.16	-38.23
O=C(CCC1=CC=C2OCC(=O)NC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177181	1	42	-1.0	-42.42	357.32	4.16	-38.26
O=C(CSCCC(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177182	0	33	-1.0	-38.64	310.30	5.69	-32.95
O=C(CSCCC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177182	1	33	-1.0	-38.62	310.34	5.69	-32.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC2=NC=NN21	REAL300020177183	0	36	-1.0	-46.23	299.21	5.81	-40.42
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC2=NC=NN21	REAL300020177183	1	36	-1.0	-46.23	299.26	5.81	-40.42
CC(CCNC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177184	0	49	-1.0	-41.35	389.08	4.20	-37.15
CC(CCNC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177184	1	49	-1.0	-41.36	389.12	4.21	-37.15
CC(C)(C)OC(=O)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2(CCC2)C1	REAL300020177185	0	54	-1.0	-39.41	418.01	7.07	-32.34
CC(C)(C)OC(=O)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2(CCC2)C1	REAL300020177185	1	54	-1.0	-39.39	418.06	7.08	-32.31
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177186	0	53	-1.0	-44.27	411.90	6.87	-37.40
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177186	1	53	-1.0	-44.29	411.94	6.87	-37.42
C[C@H](C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300020177187	0	46	-1.0	-43.06	363.69	5.44	-37.62
C[C@H](C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300020177187	1	46	-1.0	-43.04	363.73	5.44	-37.60
O=C(CC1(O)CCCOC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177188	0	38	-1.0	-39.04	301.27	2.24	-36.80
O=C(CC1(O)CCCOC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177188	1	38	-1.0	-39.05	301.32	2.25	-36.80
O=C(CON1C(=O)C2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177189	0	38	-1.0	-50.83	345.49	6.18	-44.65
O=C(CON1C(=O)C2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177189	1	38	-1.0	-50.82	345.53	6.19	-44.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1	REAL300020177190	0	39	-1.0	-60.09	333.47	5.13	-54.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1	REAL300020177190	1	39	-1.0	-60.07	333.51	5.14	-54.93
CN1N=NC2=C1C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CCC2	REAL300020177191	0	39	-1.0	-39.55	319.11	3.85	-35.70
CN1N=NC2=C1C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CCC2	REAL300020177191	1	39	-1.0	-40.13	320.69	3.87	-36.26
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC(Br)=CS1	REAL300020177192	0	26	-1.0	-38.73	269.50	3.02	-35.71
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC(Br)=CS1	REAL300020177192	1	26	-1.0	-38.72	269.46	3.02	-35.70
CN1C=CN=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177193	0	33	-1.0	-46.11	293.89	5.09	-41.02
CN1C=CN=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177193	1	33	-1.0	-46.16	293.85	5.07	-41.09
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020177194	0	43	-1.0	-42.21	370.67	8.17	-34.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020177194	1	43	-1.0	-42.19	370.72	8.17	-34.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2OC1	REAL300020177195	0	36	-1.0	-41.08	323.00	6.48	-34.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2OC1	REAL300020177195	1	36	-1.0	-41.04	323.05	6.48	-34.56
CCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020177196	0	39	-1.0	-43.66	330.01	4.71	-38.95
CCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020177196	1	39	-1.0	-43.69	330.05	4.71	-38.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC=C(C2CC2)C=C1	REAL300020177197	0	41	-1.0	-39.70	342.26	6.20	-33.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC=C(C2CC2)C=C1	REAL300020177197	1	41	-1.0	-39.65	342.31	6.20	-33.45
CC1=CC=C2C(=C1)CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)S2(=O)=O	REAL300020177198	0	40	-1.0	-52.74	348.88	3.98	-48.76
CC1=CC=C2C(=C1)CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)S2(=O)=O	REAL300020177198	1	40	-1.0	-52.75	348.93	3.98	-48.77
O=C(C=CC1=CC=C(F)N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177199	0	33	-1.0	-42.31	296.31	4.82	-37.49
O=C(C=CC1=CC=C(F)N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177199	1	33	-1.0	-42.28	296.35	4.82	-37.46
O=C(CC(NC1CC1)C(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177200	0	38	-1.0	-37.10	328.44	3.96	-33.14
O=C(CC(NC1CC1)C(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177200	1	38	-1.0	-37.88	329.49	3.98	-33.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC[N@@H+]2CCOCC12	REAL300020177201	0	41	0.0	-50.90	315.65	4.18	-46.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC[N@H+]2CCOCC12	REAL300020177201	1	41	0.0	-53.46	318.73	4.09	-49.37
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NC=NN2C=C1	REAL300020177202	0	32	-1.0	-38.67	283.56	5.91	-32.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NC=NN2C=C1	REAL300020177202	1	32	-1.0	-38.70	283.52	5.91	-32.79
COC1=CC(C)=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=C1	REAL300020177203	0	41	-1.0	-42.35	345.44	5.34	-37.01
COC1=CC(C)=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=C1	REAL300020177203	1	41	-1.0	-42.30	345.49	5.35	-36.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(Cl)C(F)=C2N1	REAL300020177204	0	34	-1.0	-41.17	317.81	5.96	-35.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(Cl)C(F)=C2N1	REAL300020177204	1	34	-1.0	-41.15	317.85	5.97	-35.18
CN1N=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=CN=C21	REAL300020177205	0	34	-1.0	-41.49	300.72	4.40	-37.09
CN1N=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=CN=C21	REAL300020177205	1	34	-1.0	-41.52	300.68	4.40	-37.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2(F)COC2)C=C1	REAL300020177206	0	38	-1.0	-39.88	323.85	5.33	-34.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2(F)COC2)C=C1	REAL300020177206	1	38	-1.0	-39.91	323.90	5.33	-34.58
CC1=C(Cl)C2=NC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C=C1	REAL300020177207	0	38	-1.0	-39.41	332.30	7.04	-32.37
CC1=C(Cl)C2=NC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C=C1	REAL300020177207	1	38	-1.0	-39.39	332.35	7.04	-32.35
O=C(CN1C=CC2=CC=C(Br)C=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177208	0	37	-1.0	-41.87	339.54	8.23	-33.64
O=C(CN1C=CC2=CC=C(Br)C=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177208	1	37	-1.0	-41.82	339.58	8.22	-33.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOC2(CCOCC2)C1	REAL300020177209	0	45	-1.0	-38.18	343.44	4.02	-34.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOC2(CCOCC2)C1	REAL300020177209	1	45	-1.0	-38.19	343.48	4.03	-34.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(SC=C2)S1	REAL300020177210	0	30	-1.0	-41.68	291.00	5.96	-35.72
CC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177211	0	33	-1.0	-41.11	295.43	6.67	-34.44
CC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177211	1	33	-1.0	-41.14	295.48	6.67	-34.47
COC1=NN2C(=NN=C2CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177212	0	41	-1.0	-47.06	356.99	3.72	-43.34
COC1=NN2C(=NN=C2CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177212	1	41	-1.0	-47.04	357.04	3.73	-43.31
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300020177213	0	35	-2.0	-94.04	314.95	5.93	-88.11
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300020177213	1	35	-2.0	-94.01	314.99	5.94	-88.07
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177214	0	52	-1.0	-39.65	406.53	5.24	-34.41
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177214	1	52	-1.0	-39.62	406.57	5.24	-34.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300020177215	0	30	-1.0	-35.12	297.00	3.17	-31.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300020177215	1	30	-1.0	-35.10	297.04	3.18	-31.92
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C([O-])=C1F	REAL300020177216	0	30	-2.0	-93.88	279.50	3.54	-90.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C([O-])=C1F	REAL300020177216	1	30	-2.0	-93.89	279.55	3.54	-90.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=CC=CC=C2O1	REAL300020177217	0	34	-1.0	-43.72	297.81	6.09	-37.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=CC=CC=C2O1	REAL300020177217	1	34	-1.0	-43.72	297.85	6.09	-37.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)C2=CC=CC=C2O1	REAL300020177218	0	37	-1.0	-42.09	320.33	6.18	-35.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)C2=CC=CC=C2O1	REAL300020177218	1	37	-1.0	-42.07	320.37	6.18	-35.89
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(Br)S1	REAL300020177219	0	30	-1.0	-39.42	291.38	5.91	-33.51
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(Br)S1	REAL300020177219	1	30	-1.0	-39.42	291.42	5.91	-33.51
COC1=CC(C)=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)OC2=C1	REAL300020177220	0	40	-1.0	-44.78	343.07	5.81	-38.97
COC1=CC(C)=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)OC2=C1	REAL300020177220	1	40	-1.0	-44.64	342.10	5.80	-38.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=NC=C2C(=O)N1	REAL300020177221	0	35	-1.0	-44.52	307.42	3.03	-41.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=NC=C2C(=O)N1	REAL300020177221	1	35	-1.0	-44.49	307.47	3.03	-41.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1(O)CCOCC1	REAL300020177222	0	38	-1.0	-39.47	310.81	2.14	-37.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1(O)CCOCC1	REAL300020177222	1	38	-1.0	-39.47	310.89	2.13	-37.34
O=C(CS(=O)(=O)CCC(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177223	0	35	-1.0	-48.27	328.76	2.24	-46.03
O=C(CS(=O)(=O)CCC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177223	1	35	-1.0	-48.23	328.81	2.24	-45.99
CN(C)C1=NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020177224	0	41	-1.0	-45.57	344.70	7.21	-38.36
CN(C)C1=NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020177224	1	41	-1.0	-45.60	344.75	7.22	-38.38
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177225	0	33	-2.0	-90.38	300.06	4.63	-85.75
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177225	1	33	-2.0	-90.38	300.31	4.63	-85.75
CC1=CC(O)=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177225	1	34	-1.0	-41.02	304.29	3.89	-37.13
CC1=CC(O)=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177225	1	34	-1.0	-41.00	304.35	3.89	-37.11
CC1(C)C(O)CC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177226	0	40	-1.0	-39.69	321.23	2.92	-36.77
CC1(C)C(O)CC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177226	1	40	-1.0	-39.67	321.28	2.93	-36.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)NC2=NC=CC=C12	REAL300020177227	0	35	-1.0	-43.53	302.82	3.66	-39.87
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)NC2=NC=CC=C12	REAL300020177227	1	35	-1.0	-43.83	302.25	3.64	-40.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)N2C=CC=CC2=N1	REAL300020177228	0	33	-1.0	-50.94	310.50	6.43	-44.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)N2C=CC=CC2=N1	REAL300020177228	1	33	-1.0	-50.99	310.46	6.43	-44.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=C(COCC2)S1	REAL300020177229	0	34	-1.0	-42.12	303.53	2.73	-39.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=C(COCC2)S1	REAL300020177229	1	34	-1.0	-42.09	303.57	2.74	-39.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1CCF	REAL300020177230	0	33	-1.0	-39.99	280.70	4.71	-35.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1CCF	REAL300020177230	1	33	-1.0	-40.02	280.67	4.71	-35.31
CCC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020177231	0	45	-1.0	-38.90	358.14	8.75	-30.15
CCC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020177231	1	45	-1.0	-38.90	358.18	8.75	-30.15
CCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=CS1	REAL300020177232	0	32	-1.0	-46.10	286.30	4.02	-42.08
CCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=CS1	REAL300020177232	1	32	-1.0	-45.73	287.27	4.03	-41.70
CC(C)=CCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1O	REAL300020177233	0	44	-1.0	-41.05	365.13	6.04	-35.01
CC(C)=CCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1O	REAL300020177233	1	44	-1.0	-41.06	365.18	6.06	-35.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=C1NC(=O)CCC2	REAL300020177234	0	38	-1.0	-41.28	321.53	3.11	-38.17
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=C1NC(=O)CCC2	REAL300020177234	1	38	-1.0	-41.31	321.57	3.13	-38.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2SC=CN12	REAL300020177235	0	30	-1.0	-38.71	271.34	5.15	-33.56
CC1=NC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020177236	0	35	-1.0	-39.64	314.23	4.90	-34.74
CC1=NC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020177236	1	35	-1.0	-39.67	314.27	4.91	-34.76
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL300020177237	0	36	-1.0	-37.86	323.91	7.23	-30.63
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL300020177237	1	36	-1.0	-37.83	323.95	7.23	-30.60
CC1=CC=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=CC=C12	REAL300020177238	0	38	-1.0	-47.37	317.63	6.54	-40.83
CC1=CC=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=CC=C12	REAL300020177238	1	38	-1.0	-47.43	317.58	6.54	-40.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2N=C1Cl	REAL300020177239	0	35	-1.0	-40.52	315.46	6.32	-34.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2N=C1Cl	REAL300020177239	1	35	-1.0	-40.64	315.42	6.31	-34.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(F)C=C2N=C1Cl	REAL300020177240	0	35	-1.0	-37.16	321.86	6.38	-30.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(F)C=C2N=C1Cl	REAL300020177240	1	35	-1.0	-37.16	321.81	6.38	-30.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(F)C=C2NC1=O	REAL300020177241	0	36	-1.0	-53.41	315.71	4.93	-48.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(F)C=C2NC1=O	REAL300020177241	1	36	-1.0	-53.36	315.70	4.93	-48.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC(F)=CC=C1Cl	REAL300020177242	0	29	-1.0	-46.38	277.70	4.20	-42.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC(F)=CC=C1Cl	REAL300020177242	1	29	-1.0	-46.34	277.65	4.20	-42.14
O=C(CN1N=CC2=NC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177243	0	35	-1.0	-42.46	308.52	3.83	-38.63
O=C(CN1N=CC2=NC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177243	1	35	-1.0	-42.51	308.47	3.83	-38.68
CCC(C)N1N=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177244	0	39	-1.0	-39.33	320.79	5.38	-33.95
CCC(C)N1N=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177244	1	39	-1.0	-39.37	320.73	5.37	-34.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC2=CC=C(F)C=C21	REAL300020177245	0	35	-1.0	-46.08	304.65	6.05	-40.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC2=CC=C(F)C=C21	REAL300020177245	1	35	-1.0	-46.13	304.61	6.04	-40.09
COC1=C(Br)C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177246	0	34	-1.0	-39.73	310.09	6.58	-33.15
COC1=C(Br)C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177246	1	34	-1.0	-39.75	310.13	6.59	-33.16
CC1=C(O)C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020177247	0	37	-1.0	-40.99	304.35	3.96	-37.03
CC1=C(O)C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020177247	1	37	-1.0	-40.92	304.40	3.97	-36.95
N#CC1=CNC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC=C12	REAL300020177248	0	35	-1.0	-41.61	311.78	6.16	-35.45
N#CC1=CNC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC=C12	REAL300020177248	1	35	-1.0	-41.56	311.82	6.16	-35.40
CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177249	0	49	-1.0	-49.69	403.59	6.89	-42.80
CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177249	1	49	-1.0	-46.25	403.66	6.90	-39.35
NC1=C2C=CN(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=CC=C1	REAL300020177250	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	REAL300020177250	1	39	-1.0	-43.23	333.14	5.48	-37.75
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N[N-]1	REAL300020177251	0	41	-2.0	-99.45	352.78	4.34	-95.11
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N[N-]1	REAL300020177251	1	41	-2.0	-99.41	352.83	4.35	-95.06
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177251	1	41	-2.0	-99.53	352.81	4.36	-95.17
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177251	1	41	-2.0	-99.46	352.86	4.36	-95.10
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1(CC2=NNN=C2)CCC1	REAL300020177252	0	39	-1.0	-44.20	324.33	3.74	-40.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1(CC2=NNN=C2)CCC1	REAL300020177252	1	39	-1.0	-44.20	324.41	3.74	-40.46
CCC(=O)N1CSC[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177253	0	38	-1.0	-47.19	324.16	5.46	-41.73
CCC(=O)N1CSC[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177253	1	38	-1.0	-43.00	325.20	5.50	-37.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F	REAL300020177254	0	34	-1.0	-37.04	289.47	5.87	-31.17
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@@H]2[C@H](C1)C2(F)F	REAL300020177254	1	34	-1.0	-36.96	289.50	5.87	-31.09
CC(C)OC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020177255	0	40	-1.0	-42.08	343.72	6.95	-35.13
CC(C)OC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020177255	1	40	-1.0	-42.06	343.76	6.96	-35.10
O=C(CC1=CN=CC(Br)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177256	0	32	-1.0	-38.30	301.34	4.96	-33.34
O=C(CC1=CN=CC(Br)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177256	1	32	-1.0	-38.29	301.30	4.95	-33.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1	REAL300020177257	0	44	-1.0	-43.45	369.15	9.02	-34.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1	REAL300020177257	1	44	-1.0	-43.41	369.19	9.04	-34.37
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177258	0	50	-1.0	-41.11	393.97	4.85	-36.26
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177258	1	50	-1.0	-41.12	394.02	4.85	-36.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2)O1	REAL300020177259	0	37	-1.0	-43.62	308.25	6.16	-37.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2)O1	REAL300020177259	1	37	-1.0	-43.55	308.29	6.16	-37.39
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CNN=C2)C=C1	REAL300020177260	0	37	-1.0	-43.70	318.52	5.46	-38.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CNN=C2)C=C1	REAL300020177260	1	37	-1.0	-43.63	318.56	5.46	-38.17
CC(C)(C)OC(=O)N1CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177261	0	45	-1.0	-47.09	368.01	5.38	-41.71
CC(C)(C)OC(=O)N1CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177261	1	45	-1.0	-47.04	368.06	5.37	-41.67
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177262	0	49	-1.0	-46.96	405.80	6.36	-40.60
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177262	1	49	-1.0	-46.99	405.75	6.36	-40.63
CC(C)(C)OC(=O)N1CCC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177263	0	48	-1.0	-42.99	379.98	6.35	-36.64
CC(C)(C)OC(=O)N1CCC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177263	1	48	-1.0	-42.99	380.03	6.37	-36.62
C=CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177264	0	47	-1.0	-39.57	376.89	4.24	-35.33
C=CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177264	1	47	-1.0	-39.53	376.94	4.24	-35.29
CC1=CC(F)=CC=C1C(O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177265	0	37	-1.0	-38.56	309.24	5.01	-33.55
CC1=CC(F)=CC=C1C(O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177265	1	37	-1.0	-38.55	309.38	5.01	-33.54
CC1=CC=C2C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CNC2=C1	REAL300020177266	0	37	-1.0	-43.21	314.29	6.12	-37.09
CC1=CC=C2C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CNC2=C1	REAL300020177266	1	37	-1.0	-43.22	314.33	6.12	-37.10
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177267	0	47	-1.0	-39.18	373.82	0.42	-38.76
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177267	1	47	-1.0	-39.16	373.89	0.43	-38.73
CC(=O)C1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2N1	REAL300020177268	0	39	-1.0	-54.59	339.85	5.82	-48.77
CC(=O)C1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2N1	REAL300020177268	1	39	-1.0	-54.80	340.92	5.84	-48.96
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177269	0	54	-1.0	-47.24	412.61	5.75	-41.49
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177269	1	54	-1.0	-47.28	412.67	5.75	-41.53
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1Br	REAL300020177270	0	33	-1.0	-40.23	304.78	6.73	-33.50
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1Br	REAL300020177270	1	33	-1.0	-40.27	303.82	6.70	-33.57
CCC1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCC1=O	REAL300020177271	0	41	-1.0	-37.35	319.50	6.02	-31.33
CCC1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCC1=O	REAL300020177271	1	41	-1.0	-37.33	319.55	6.03	-31.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=COC2=CC=C1F	REAL300020177272	0	33	-1.0	-46.09	299.12	5.73	-40.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=COC2=CC=C1F	REAL300020177272	1	33	-1.0	-46.07	299.17	5.74	-40.33
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177273	0	50	-1.0	-45.78	389.66	6.34	-39.44
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177273	1	50	-1.0	-46.78	390.65	6.38	-40.40
COCC1=NOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177274	0	33	-1.0	-40.97	295.08	2.61	-38.36
COCC1=NOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177274	1	33	-1.0	-40.95	295.13	2.61	-38.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2N=CC(=O)NC2=C1	REAL300020177275	0	35	-1.0	-39.72	308.01	2.68	-37.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2N=CC(=O)NC2=C1	REAL300020177275	1	35	-1.0	-39.77	308.06	2.68	-37.09
COC(=O)C1=CC(OC)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020177276	0	39	-1.0	-44.13	344.25	3.69	-40.44
COC(=O)C1=CC(OC)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020177276	1	39	-1.0	-44.20	344.20	3.70	-40.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CC=CN=C1	REAL300020177277	0	32	-1.0	-41.17	289.86	4.44	-36.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1=CC=CN=C1	REAL300020177277	1	32	-1.0	-41.22	289.82	4.44	-36.78
COCC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCOCC1	REAL300020177278	0	44	-1.0	-38.78	337.24	3.49	-35.29
COCC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCOCC1	REAL300020177278	1	44	-1.0	-38.78	337.28	3.49	-35.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCCC2=N1	REAL300020177279	0	36	-1.0	-47.57	304.22	5.62	-41.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCCC2=N1	REAL300020177279	1	36	-1.0	-47.57	304.26	5.62	-41.95
CC(C)(C)C1=NOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177280	0	40	-1.0	-42.36	331.79	5.60	-36.76
CC(C)(C)C1=NOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177280	1	40	-1.0	-42.34	331.83	5.60	-36.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CC2=CN=CN2C(=O)N1	REAL300020177281	0	35	-1.0	-41.55	303.05	3.63	-37.92
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CC2=CN=CN2C(=O)N1	REAL300020177281	1	35	-1.0	-41.79	301.99	3.59	-38.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL300020177282	0	40	-1.0	-43.25	347.97	5.89	-37.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL300020177282	1	40	-1.0	-43.28	347.93	5.89	-37.39
CC1=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=NN2C(C(F)F)=C1	REAL300020177283	0	38	-1.0	-48.63	340.20	5.78	-42.85
CC1=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=NN2C(C(F)F)=C1	REAL300020177283	1	38	-1.0	-48.58	340.25	5.79	-42.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=C1CCCC2	REAL300020177284	0	37	-1.0	-41.40	306.67	6.13	-35.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=C1CCCC2	REAL300020177284	1	37	-1.0	-41.37	306.71	6.13	-35.24
CC(C)(C)C1=NOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177285	0	38	-1.0	-41.45	321.83	5.35	-36.10
CC(C)(C)C1=NOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177285	1	38	-1.0	-41.46	321.78	5.34	-36.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C1Cl)OCO2	REAL300020177286	0	33	-1.0	-40.29	300.03	4.67	-35.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=C1Cl)OCO2	REAL300020177286	1	33	-1.0	-40.31	300.07	4.67	-35.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC2=C(C(F)(F)F)C=CC=C12	REAL300020177287	0	38	-1.0	-41.14	331.28	6.77	-34.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC2=C(C(F)(F)F)C=CC=C12	REAL300020177287	1	38	-1.0	-41.29	332.24	6.78	-34.51
CC(C)C1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C2CCCCN21	REAL300020177288	0	46	-1.0	-52.57	358.23	7.09	-45.48
CC(C)C1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C2CCCCN21	REAL300020177288	1	46	-1.0	-52.57	358.28	7.09	-45.48
CC1=NC2=NC=NN2C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177289	0	34	-1.0	-48.64	296.88	7.53	-41.11
CC1=NC2=NC=NN2C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177289	1	34	-1.0	-48.96	296.78	7.42	-41.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=N1	REAL300020177290	0	36	-1.0	-42.65	308.37	5.66	-36.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=N1	REAL300020177290	1	36	-1.0	-42.63	308.41	5.66	-36.97
CC1=CC(C2CCC2)=NC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177291	0	42	-1.0	-42.40	338.42	6.91	-35.49
CC1=CC(C2CCC2)=NC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177291	1	42	-1.0	-42.35	338.46	6.91	-35.44
CC(C)[C@@H]1C[C@H](CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020177292	0	49	-1.0	-38.72	381.23	9.53	-29.19
CC(C)[C@@H]1C[C@H](CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020177292	1	49	-1.0	-38.74	380.30	9.51	-29.23
COC1=CC=CC2=C1CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CO2	REAL300020177293	0	42	-1.0	-41.42	343.74	5.34	-36.08
COC1=CC=CC2=C1CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CO2	REAL300020177293	1	42	-1.0	-41.41	343.78	5.34	-36.07
CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=CC=C1F	REAL300020177294	0	37	-1.0	-37.72	321.28	6.08	-31.64
CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=CC=C1F	REAL300020177294	1	37	-1.0	-37.74	321.33	6.08	-31.66
CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=CC=C1Cl	REAL300020177295	0	37	-1.0	-37.70	329.98	6.48	-31.22
CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=CC=C1Cl	REAL300020177295	1	37	-1.0	-37.70	329.01	6.47	-31.23
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(COC2=CC=CC=C2)=N1	REAL300020177296	0	43	-1.0	-41.20	377.48	6.55	-34.65
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(COC2=CC=CC=C2)=N1	REAL300020177296	1	43	-1.0	-41.15	377.52	6.55	-34.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2CCNC(=O)C2=C1	REAL300020177297	0	35	-1.0	-48.99	305.31	0.81	-48.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2CCNC(=O)C2=C1	REAL300020177297	1	35	-1.0	-48.98	305.27	0.81	-48.17
CC1=CC2=NC=CN=C2C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177298	0	37	-1.0	-45.60	313.16	4.61	-40.99
CC1=CC2=NC=CN=C2C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177298	1	37	-1.0	-45.59	313.21	4.61	-40.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1	REAL300020177299	0	41	-1.0	-42.54	357.03	6.20	-36.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1	REAL300020177299	1	41	-1.0	-42.50	357.10	6.20	-36.30
CC1=CC=C(N2N=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC2=O)C=C1	REAL300020177300	0	44	-1.0	-44.93	372.06	6.80	-38.13
CC1=CC=C(N2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CCC2=O)C=C1	REAL300020177300	1	44	-1.0	-44.91	372.12	6.81	-38.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1	REAL300020177301	0	39	-1.0	-39.55	350.45	7.78	-31.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1	REAL300020177301	1	39	-1.0	-39.55	350.40	7.78	-31.77
CC(=O)NC(CC(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177302	0	42	-1.0	-43.52	336.23	4.80	-38.72
CC(=O)NC(CC(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177302	1	42	-1.0	-43.47	336.28	4.81	-38.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2C(CC1)C2(F)F	REAL300020177303	0	40	-1.0	-38.53	320.11	7.01	-31.52
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2C(CC1)C2(F)F	REAL300020177303	1	40	-1.0	-38.52	320.15	7.03	-31.49
CC1=C(C)OC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020177304	0	38	-1.0	-41.97	325.56	3.08	-38.89
CC1=C(C)OC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020177304	1	38	-1.0	-41.96	325.61	3.09	-38.87
COCCOCCN1C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020177305	0	44	-1.0	-48.09	376.61	3.38	-44.71
COCCOCCN1C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020177305	1	44	-1.0	-48.40	377.58	3.40	-45.00
COCCOCCN1N=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177306	0	44	-1.0	-44.92	363.28	3.88	-41.04
COCCOCCN1N=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177306	1	44	-1.0	-44.88	363.25	3.87	-41.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CCC2=CC=CC=C2)C=C1	REAL300020177307	0	46	-1.0	-41.81	385.78	10.73	-31.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CCC2=CC=CC=C2)C=C1	REAL300020177307	1	46	-1.0	-41.76	385.83	10.73	-31.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1CNC2=O	REAL300020177308	0	35	-1.0	-39.98	302.19	2.91	-37.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1CNC2=O	REAL300020177308	1	35	-1.0	-39.98	302.24	2.91	-37.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(CCC(F)(F)F)C=C1	REAL300020177309	0	36	-1.0	-46.91	327.09	5.22	-41.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(CCC(F)(F)F)C=C1	REAL300020177309	1	36	-1.0	-47.09	328.06	5.25	-41.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL300020177310	0	36	-1.0	-42.72	325.65	7.26	-35.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL300020177310	1	36	-1.0	-42.72	325.69	7.27	-35.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CSC=C2)N=C1	REAL300020177311	0	36	-1.0	-43.51	324.02	6.26	-37.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CSC=C2)N=C1	REAL300020177311	1	36	-1.0	-43.50	323.97	6.26	-37.24
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177312	0	44	-1.0	-39.90	350.89	7.46	-32.44
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177312	1	44	-1.0	-39.89	350.94	7.48	-32.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(CC1CCCCC1)C1=CC=CC=C1	REAL300020177313	0	52	-1.0	-38.95	404.20	10.46	-28.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(CC1CCCCC1)C1=CC=CC=C1	REAL300020177313	1	52	-1.0	-38.84	404.25	10.48	-28.36
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)C1=CC=CC=C1Cl	REAL300020177314	0	42	-1.0	-38.28	350.73	8.29	-29.99
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)C1=CC=CC=C1Cl	REAL300020177314	1	42	-1.0	-39.64	351.75	8.33	-31.31
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CC2CCC2)C=C1	REAL300020177315	0	43	-1.0	-40.79	352.61	9.00	-31.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CC2CCC2)C=C1	REAL300020177315	1	43	-1.0	-40.74	352.65	9.00	-31.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(OC(F)(F)F)=C1	REAL300020177316	0	34	-1.0	-35.98	313.68	5.35	-30.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(OC(F)(F)F)=C1	REAL300020177316	1	34	-1.0	-35.99	313.73	5.35	-30.64
CN(C)C1=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2O1	REAL300020177317	0	40	-1.0	-42.92	340.71	4.06	-38.86
CN(C)C1=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300020177317	1	40	-1.0	-42.92	340.67	4.06	-38.86
CS(=N)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177318	0	37	-1.0	-48.34	326.60	2.15	-46.19
CS(=N)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177318	1	37	-1.0	-48.36	326.64	2.15	-46.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2COC2)N=N1	REAL300020177319	0	34	-1.0	-47.54	298.72	0.89	-46.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2COC2)N=N1	REAL300020177319	1	34	-1.0	-47.54	298.67	0.89	-46.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(CCF)C=C1	REAL300020177320	0	33	-1.0	-47.25	294.05	4.23	-43.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(CCF)C=C1	REAL300020177320	1	33	-1.0	-47.21	295.02	4.25	-42.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1=CC=C(F)C=C1F	REAL300020177321	0	33	-1.0	-42.71	307.00	6.32	-36.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL300020177321	1	33	-1.0	-42.69	307.05	6.32	-36.37
O=C(CCC1=CC=C(F)N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177322	0	35	-1.0	-41.14	308.83	5.13	-36.01
O=C(CCC1=CC=C(F)N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177322	1	35	-1.0	-41.10	308.79	5.12	-35.98
CC1=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C	REAL300020177323	0	33	-1.0	-47.35	305.00	4.35	-43.00
CC1=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C	REAL300020177323	1	33	-1.0	-47.30	305.05	4.35	-42.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(C(F)(F)F)=C1F	REAL300020177324	0	33	-1.0	-36.46	307.32	6.54	-29.92
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1F	REAL300020177324	1	33	-1.0	-36.47	307.37	6.55	-29.92
CC(=O)NCC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCCCC1	REAL300020177325	0	49	-1.0	-43.59	368.41	5.21	-38.38
CC(=O)NCC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCCCC1	REAL300020177325	1	49	-1.0	-43.61	368.45	5.21	-38.40
CC1(C)CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC(C)(C)O1	REAL300020177326	0	46	-1.0	-37.70	353.11	5.97	-31.73
CC1(C)CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC(C)(C)O1	REAL300020177326	1	46	-1.0	-37.74	353.16	5.97	-31.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(Br)=C1F	REAL300020177327	0	29	-1.0	-36.93	282.14	4.29	-32.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(Br)=C1F	REAL300020177327	1	29	-1.0	-36.96	282.09	4.29	-32.67
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C(F)F)N=C(C2CC2)O1	REAL300020177328	0	36	-1.0	-42.74	321.70	3.40	-39.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C(F)F)N=C(C2CC2)O1	REAL300020177328	1	36	-1.0	-42.69	321.75	3.40	-39.29
O=C(CCOC1=C(F)C=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177329	0	37	-1.0	-43.00	342.19	6.55	-36.45
O=C(CCOC1=C(F)C=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177329	1	37	-1.0	-43.06	342.24	6.56	-36.50
CS(C)(=O)=NC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020177330	0	36	-1.0	-64.14	332.00	1.77	-62.37
CS(C)(=O)=NC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020177330	1	36	-1.0	-64.11	332.05	1.78	-62.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300020177331	0	45	-1.0	-40.55	385.90	6.68	-33.87
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300020177331	1	45	-1.0	-40.52	385.94	6.69	-33.83
O=C(CC1=CC(O)=CC(Br)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177332	0	34	-1.0	-39.97	317.43	3.90	-36.07
O=C(CC1=CC(O)=CC(Br)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177332	1	34	-1.0	-39.97	317.48	3.90	-36.07
O=C(CCCCC1=CC=CC(O)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177333	0	43	-1.0	-40.96	361.55	5.67	-35.29
O=C(CCCCC1=CC=CC(O)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177333	1	43	-1.0	-40.87	361.59	5.68	-35.19
CC1=NC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020177334	0	32	-1.0	-40.23	291.81	4.11	-36.12
CC1=NC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020177334	1	32	-1.0	-40.22	291.85	4.11	-36.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2CCCCC2=N1	REAL300020177335	0	38	-1.0	-43.70	315.73	4.29	-39.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2CCCCC2=N1	REAL300020177335	1	38	-1.0	-43.64	315.77	4.31	-39.33
CC1=C(C)NC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020177336	0	37	-1.0	-46.27	320.04	4.72	-41.55
CC1=C(C)NC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020177336	1	37	-1.0	-46.28	320.09	4.72	-41.56
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177337	0	51	-1.0	-46.36	410.29	5.88	-40.48
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177337	1	51	-1.0	-46.35	410.33	5.88	-40.47
CS(C)(=O)=NC(=O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177338	0	32	-1.0	-63.78	294.14	-0.06	-63.84
CS(C)(=O)=NC(=O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177338	1	32	-1.0	-63.88	294.20	-0.06	-63.94
O=C(C=CCCCCCCCO)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177339	0	46	-1.0	-41.64	379.69	5.11	-36.53
O=C(C=CCCCCCCCO)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177339	1	46	-1.0	-41.66	379.73	5.11	-36.55
O=C(C#CC1CCC(=O)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177340	0	37	-1.0	-43.53	319.95	6.20	-37.33
O=C(C#CC1CCC(=O)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177340	1	37	-1.0	-46.08	320.00	6.21	-39.87
COC(=O)[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1(F)F	REAL300020177341	0	33	-1.0	-40.56	304.69	4.79	-35.77
COC(=O)[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1(F)F	REAL300020177341	1	33	-1.0	-40.55	304.73	4.79	-35.76
CC(C)(C)OC(=O)N1CC2=NNC=C2C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177342	0	48	-1.0	-45.24	390.93	4.85	-40.39
CC(C)(C)OC(=O)N1CC2=NNC=C2C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177342	1	48	-1.0	-45.21	390.97	4.85	-40.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2N=C(Br)N=C2C=C1	REAL300020177343	0	32	-1.0	-36.73	305.13	5.70	-31.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2N=C(Br)N=C2C=C1	REAL300020177343	1	32	-1.0	-36.72	305.09	5.69	-31.03
CC(C(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)F	REAL300020177344	0	32	-1.0	-37.91	283.69	4.85	-33.06
CC(C(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)F	REAL300020177344	1	32	-1.0	-37.87	283.73	4.86	-33.01
COC1(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)COC1	REAL300020177345	0	42	-1.0	-39.77	341.90	4.79	-34.98
COC1(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)COC1	REAL300020177345	1	42	-1.0	-39.72	341.94	4.80	-34.92
O=C(CN1CC(C(F)(F)F)CCC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177346	0	40	-1.0	-46.36	344.13	5.35	-41.01
O=C(CN1CC(C(F)(F)F)CCC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177346	1	40	-1.0	-46.38	344.18	5.36	-41.02
CCC1=NC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020177347	0	34	-1.0	-41.31	308.81	4.62	-36.69
CCC1=NC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020177347	1	34	-1.0	-41.26	308.85	4.62	-36.64
CC1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N2)S1	REAL300020177348	0	34	-1.0	-39.63	307.22	5.28	-34.35
CC1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N2)S1	REAL300020177348	1	34	-1.0	-39.66	307.26	5.29	-34.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(NS(=O)(=O)C2CC2)C=C1	REAL300020177349	0	42	-1.0	-44.06	361.76	3.46	-40.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NS(=O)(=O)C2CC2)C=C1	REAL300020177349	1	42	-1.0	-43.93	361.80	3.46	-40.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(NS(=O)(=O)C2CC2)=C1	REAL300020177350	0	42	-1.0	-47.07	361.94	3.47	-43.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(NS(=O)(=O)C2CC2)=C1	REAL300020177350	1	42	-1.0	-47.08	361.99	3.47	-43.61
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177351	0	44	-1.0	-42.77	376.34	3.85	-38.92
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177351	1	44	-1.0	-42.72	376.39	3.85	-38.87
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2	REAL300020177352	0	46	-1.0	-55.12	360.96	6.05	-49.07
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=C2	REAL300020177352	1	46	-1.0	-55.11	361.05	6.04	-49.07
N#CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300020177353	0	30	-2.0	-99.61	281.32	1.88	-97.73
N#CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300020177353	1	30	-2.0	-99.56	281.42	1.89	-97.67
CC1=CC(F)=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177354	0	33	-1.0	-38.45	303.56	6.79	-31.66
CC1=CC(F)=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177354	1	33	-1.0	-38.53	303.87	6.80	-31.73
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)[C@H](C2CC2)C1	REAL300020177355	0	54	-1.0	-39.65	421.48	7.48	-32.17
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)[C@H](C2CC2)C1	REAL300020177355	1	54	-1.0	-39.64	421.52	7.48	-32.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=C1CSC2	REAL300020177356	0	32	-1.0	-38.72	291.20	5.08	-33.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=C1CSC2	REAL300020177356	1	32	-1.0	-38.65	291.24	5.08	-33.57
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177357	0	51	-1.0	-39.14	398.88	9.75	-29.39
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177357	1	51	-1.0	-39.12	398.93	9.75	-29.37
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C1=CC=C(Cl)C=C1	REAL300020177358	0	40	-1.0	-45.77	356.81	7.00	-38.77
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C1=CC=C(Cl)C=C1	REAL300020177358	1	40	-1.0	-45.82	356.77	6.99	-38.83
CC1=CC=C2OC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020177359	0	36	-1.0	-42.11	311.59	6.48	-35.63
CC1=CC=C2OC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020177359	1	36	-1.0	-42.05	311.63	6.48	-35.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SCCCC2=C1	REAL300020177360	0	38	-1.0	-41.84	324.08	7.67	-34.17
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2SCCCC2=C1	REAL300020177360	1	38	-1.0	-41.78	324.12	7.67	-34.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SCCCCC2=C1	REAL300020177361	0	41	-1.0	-40.04	341.12	8.28	-31.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2SCCCCC2=C1	REAL300020177361	1	41	-1.0	-40.07	341.16	8.28	-31.79
CC1=CC=C2C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=COC2=C1	REAL300020177362	0	36	-1.0	-41.48	311.56	6.49	-34.99
CC1=CC=C2C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=COC2=C1	REAL300020177362	1	36	-1.0	-41.45	311.61	6.49	-34.96
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177363	0	38	-1.0	-55.67	316.98	0.49	-55.18
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177363	1	38	-1.0	-55.61	317.03	0.48	-55.13
COC(=O)CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177364	0	42	-1.0	-43.80	359.84	7.73	-36.07
COC(=O)CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177364	1	42	-1.0	-43.85	359.88	7.74	-36.11
CC(C)=CCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020177365	0	43	-1.0	-38.05	360.79	8.87	-29.18
CC(C)=CCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020177365	1	43	-1.0	-38.10	360.85	8.88	-29.22
O=C(CC1=C(Br)N2C=CC=CC2=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177366	0	36	-1.0	-46.47	332.63	7.04	-39.43
O=C(CC1=C(Br)N2C=CC=CC2=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177366	1	36	-1.0	-46.44	332.67	7.04	-39.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C(Cl)S2)N1	REAL300020177367	0	31	-1.0	-36.72	302.41	5.10	-31.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=C(Cl)S2)N1	REAL300020177367	1	31	-1.0	-36.75	302.45	5.10	-31.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL300020177368	0	37	-1.0	-49.64	328.31	5.03	-44.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL300020177368	1	37	-1.0	-49.67	328.26	5.03	-44.64
O=C(CC1=CC2=CC=CC=C2N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177369	0	38	-1.0	-42.85	326.36	6.49	-36.36
O=C(CC1=CC2=CC=CC=C2N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177369	1	38	-1.0	-42.92	326.31	6.49	-36.43
COC1(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCOCC1	REAL300020177370	0	41	-1.0	-40.69	326.43	4.03	-36.66
COC1(C(F)(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCOCC1	REAL300020177370	1	41	-1.0	-40.64	326.49	4.04	-36.60
CC(C)(C)C1=NN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020177371	0	40	-1.0	-41.77	339.21	3.77	-38.00
CC(C)(C)C1=NN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020177371	1	40	-1.0	-41.79	339.16	3.78	-38.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300020177372	0	41	-1.0	-43.40	356.99	8.70	-34.70
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300020177372	1	41	-1.0	-43.34	357.05	8.70	-34.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL300020177373	0	40	-1.0	-40.52	352.31	9.41	-31.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL300020177373	1	40	-1.0	-40.54	352.36	9.42	-31.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2CC2(F)F)C=C1	REAL300020177374	0	34	-1.0	-52.39	308.99	4.96	-47.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2CC2(F)F)C=C1	REAL300020177374	1	34	-1.0	-54.14	309.96	4.99	-49.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)C1=CC=C(F)C=C1	REAL300020177375	0	33	-1.0	-38.89	296.24	6.25	-32.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)C1=CC=C(F)C=C1	REAL300020177375	1	33	-1.0	-38.88	296.28	6.26	-32.62
C=CCOC(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177376	0	35	-1.0	-39.38	310.40	1.78	-37.60
C=CCOC(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177376	1	35	-1.0	-39.38	310.45	1.78	-37.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C(Br)S2)N1	REAL300020177377	0	31	-1.0	-36.69	307.03	5.21	-31.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=C(Br)S2)N1	REAL300020177377	1	31	-1.0	-36.69	307.08	5.21	-31.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300020177378	0	44	-1.0	-41.17	357.76	9.02	-32.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300020177378	1	44	-1.0	-41.17	357.80	9.01	-32.16
CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020177379	0	36	-1.0	-38.40	321.53	7.37	-31.03
CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Br	REAL300020177379	1	36	-1.0	-38.35	321.57	7.38	-30.97
CCCC1=C(Br)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020177380	0	36	-1.0	-37.94	337.76	7.39	-30.55
CCCC1=C(Br)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020177380	1	36	-1.0	-37.92	337.80	7.39	-30.53
CSC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020177381	0	34	-1.0	-38.14	320.79	7.03	-31.11
CSC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Br	REAL300020177381	1	34	-1.0	-38.11	320.83	7.03	-31.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(N1)C(Br)=CS2	REAL300020177382	0	31	-1.0	-39.39	306.81	5.09	-34.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(N1)C(Br)=CS2	REAL300020177382	1	31	-1.0	-39.32	306.85	5.09	-34.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL300020177383	0	40	-1.0	-40.90	340.98	5.94	-34.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL300020177383	1	40	-1.0	-40.98	340.94	5.93	-35.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=CC(F)=CC(F)=C12	REAL300020177384	0	33	-1.0	-39.48	300.00	5.95	-33.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=CC(F)=CC(F)=C12	REAL300020177384	1	33	-1.0	-39.43	300.04	5.95	-33.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CCCF)N=N1	REAL300020177385	0	35	-1.0	-51.32	312.27	3.56	-47.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CCCF)N=N1	REAL300020177385	1	35	-1.0	-51.31	312.22	3.56	-47.75
CCN1C=C(OC2=CN=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=N2)C=N1	REAL300020177386	0	42	-1.0	-45.67	363.80	3.46	-42.21
CCN1C=C(OC2=CN=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=N2)C=N1	REAL300020177386	1	42	-1.0	-45.70	363.76	3.45	-42.25
N#CC1=C2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN2N=C1	REAL300020177387	0	33	-1.0	-41.18	305.13	4.85	-36.33
N#CC1=C2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN2N=C1	REAL300020177387	1	33	-1.0	-41.21	305.09	4.85	-36.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=C(OCC2CC2)C=C1F	REAL300020177388	0	40	-1.0	-43.49	345.33	5.60	-37.89
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=C(OCC2CC2)C=C1F	REAL300020177388	1	40	-1.0	-43.42	346.30	5.62	-37.80
CN1N=CC2=C1SC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2	REAL300020177389	0	33	-1.0	-41.79	303.18	4.59	-37.20
COC1=CC=CC=C1N1C=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177390	0	41	-1.0	-50.73	353.24	7.24	-43.49
COC1=CC=CC=C1N1C=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177390	1	41	-1.0	-50.74	353.19	7.24	-43.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2CCOCC2)N=C1	REAL300020177391	0	42	-1.0	-39.55	347.14	4.19	-35.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CCOCC2)N=C1	REAL300020177391	1	42	-1.0	-39.55	347.19	4.19	-35.36
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(Br)=C1C	REAL300020177392	0	36	-1.0	-41.54	317.91	7.20	-34.34
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Br)=C1C	REAL300020177392	1	36	-1.0	-41.51	317.97	7.20	-34.31
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2C=CCC(C2)C1	REAL300020177393	0	41	-1.0	-38.67	313.92	7.00	-31.67
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2C=CCC(C2)C1	REAL300020177393	1	41	-1.0	-38.66	313.96	7.02	-31.64
CC(C)CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020177394	0	49	-1.0	-49.67	397.30	8.83	-40.84
CC(C)CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020177394	1	49	-1.0	-49.65	397.35	8.83	-40.82
CC1CCN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020177395	0	48	-1.0	-40.49	374.06	7.33	-33.16
CC1CCN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC1	REAL300020177395	1	48	-1.0	-40.46	374.11	7.34	-33.12
O=C(CC1=CC=NC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177396	0	32	-1.0	-38.60	294.37	4.78	-33.82
O=C(CC1=CC=NC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177396	1	32	-1.0	-38.57	294.42	4.78	-33.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(O)C=C2N1	REAL300020177397	0	35	-1.0	-40.90	306.27	2.56	-38.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(O)C=C2N1	REAL300020177397	1	35	-1.0	-41.22	305.30	2.54	-38.68
CC1=CC(=O)N2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2N1	REAL300020177398	0	36	-1.0	-49.19	315.13	3.87	-45.32
CC1=CC(=O)N2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2N1	REAL300020177398	1	36	-1.0	-49.17	315.17	3.88	-45.29
CS(=N)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177399	0	37	-1.0	-48.60	327.57	2.29	-46.31
CS(=N)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177399	1	37	-1.0	-48.54	327.62	2.29	-46.25
COC1=CC=C(C(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020177400	0	40	-1.0	-41.06	337.02	6.05	-35.01
COC1=CC=C(C(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020177400	1	40	-1.0	-41.02	337.07	6.05	-34.97
COC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(F)(F)C1	REAL300020177401	0	37	-1.0	-39.54	311.90	5.24	-34.30
COC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(F)(F)C1	REAL300020177401	1	37	-1.0	-39.52	311.95	5.24	-34.28
O=C(COC1CCCOC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177402	0	38	-1.0	-39.92	313.67	3.67	-36.25
O=C(COC1CCCOC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177402	1	38	-1.0	-39.96	312.71	3.65	-36.31
COC(F)(F)C(F)(F)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177403	0	40	-1.0	-39.08	357.63	6.23	-32.85
COC(F)(F)C(F)(F)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177403	1	40	-1.0	-39.06	357.67	6.23	-32.83
CC(C)(C)C1(C)CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177404	0	45	-1.0	-38.33	339.78	6.91	-31.42
CC(C)(C)C1(C)CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177404	1	45	-1.0	-38.31	339.82	6.93	-31.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL300020177405	0	36	-1.0	-44.92	328.15	4.00	-40.92
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL300020177405	1	36	-1.0	-44.97	328.11	3.99	-40.98
O=C(COCC1=NC(C2CC2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177406	0	39	-1.0	-44.66	343.56	3.56	-41.10
O=C(COCC1=NC(C2CC2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177406	1	39	-1.0	-44.63	343.60	3.57	-41.06
CN1CCC2=CC(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020177407	0	42	-1.0	-40.54	345.89	5.97	-34.57
CN1CCC2=CC(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020177407	1	42	-1.0	-40.58	345.94	5.98	-34.60
CC1=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C	REAL300020177408	0	39	-1.0	-44.96	329.83	5.11	-39.85
CC1=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C	REAL300020177408	1	39	-1.0	-44.94	329.88	5.12	-39.82
O=C(CN1C=NC(Br)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177409	0	30	-1.0	-40.04	287.71	5.69	-34.35
O=C(CN1C=NC(Br)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177409	1	30	-1.0	-40.04	287.66	5.70	-34.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)CNC2=O	REAL300020177410	0	35	-1.0	-45.08	303.74	2.96	-42.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)CNC2=O	REAL300020177410	1	35	-1.0	-45.11	303.78	2.96	-42.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=C(Cl)C=N1	REAL300020177411	0	28	-1.0	-42.32	271.15	3.44	-38.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=C(Cl)C=N1	REAL300020177411	1	28	-1.0	-42.33	271.11	3.44	-38.89
CCS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177412	0	41	-1.0	-47.90	356.22	3.09	-44.81
CCS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177412	1	41	-1.0	-47.87	356.27	3.09	-44.78
CC1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020177413	0	53	-1.0	-42.16	405.31	7.15	-35.01
CC1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020177413	1	53	-1.0	-42.10	405.36	7.15	-34.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1	REAL300020177414	0	36	-1.0	-40.80	330.43	6.21	-34.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1	REAL300020177414	1	36	-1.0	-39.86	329.37	6.19	-33.67
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CCN2CCOCC2)N=N1	REAL300020177415	0	45	-1.0	-49.01	372.47	1.14	-47.87
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CCN2CCOCC2)N=N1	REAL300020177415	1	45	-1.0	-48.99	372.51	1.15	-47.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)N=C1F	REAL300020177416	0	32	-1.0	-36.55	301.59	4.78	-31.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)N=C1F	REAL300020177416	1	32	-1.0	-36.58	301.54	4.78	-31.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC2=C1C(=O)NC=N2	REAL300020177417	0	32	-1.0	-55.99	287.16	3.06	-52.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC2=C1C(=O)NC=N2	REAL300020177417	1	32	-1.0	-56.03	287.21	3.06	-52.97
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177418	0	54	-1.0	-46.14	425.04	7.62	-38.52
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177418	1	54	-1.0	-46.07	425.09	7.62	-38.45
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NC1=NC(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020177430	1	31	-1.0	-44.40	294.03	2.83	-41.57
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CN1C=CC(C(=O)NC2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=N1	REAL300020177438	0	44	-1.0	-53.34	377.94	5.28	-48.06
CN1C=CC(C(=O)NC2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=N1	REAL300020177438	1	44	-1.0	-53.40	377.90	5.27	-48.13
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C[C@@H]1[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300020177440	1	53	-1.0	-45.27	395.52	7.34	-37.93
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NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1CCO	REAL300020177444	0	36	-1.0	-43.04	309.86	-0.25	-43.29
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1CCO	REAL300020177444	1	36	-1.0	-43.08	309.82	-0.25	-43.33
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CCN1C=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020177450	0	33	-1.0	-47.22	302.60	4.62	-42.60
CCN1C=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020177450	1	33	-1.0	-47.26	302.55	4.61	-42.65
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CC(C)CC1=NN=C2C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=CN12	REAL300020177455	1	44	-1.0	-62.04	364.34	8.84	-53.20
COC1(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCC1	REAL300020177456	0	37	-1.0	-41.05	307.59	5.21	-35.84
COC1(C(F)(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCC1	REAL300020177456	1	37	-1.0	-40.95	307.63	5.21	-35.74
CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOCC1	REAL300020177457	0	43	-1.0	-39.38	327.89	5.02	-34.36
CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOCC1	REAL300020177457	1	43	-1.0	-39.44	327.94	5.03	-34.41
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CC(C)(C)OC1CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C12CCC2	REAL300020177459	0	53	-1.0	-39.51	409.66	8.16	-31.35
CC(C)(C)OC1CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C12CCC2	REAL300020177459	1	53	-1.0	-38.15	408.69	8.14	-30.01
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)CC1CCCC1	REAL300020177466	0	39	-1.0	-36.58	318.24	6.58	-30.00
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CC1(C)CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1C(F)(F)F	REAL300020177467	0	39	-1.0	-36.63	324.59	6.31	-30.32
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NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177495	0	37	-1.0	-45.39	325.25	-1.38	-46.77
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CC(F)(F)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177500	1	36	-1.0	-40.49	314.73	7.00	-33.49
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COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C)=N1	REAL300020177502	0	36	-1.0	-41.83	310.49	2.82	-39.01
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C)=N1	REAL300020177502	1	36	-1.0	-41.85	310.54	2.82	-39.03
CC1=NC=C2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC2=N1	REAL300020177503	0	41	-1.0	-39.43	336.77	5.75	-33.68
CC1=NC=C2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CCC2=N1	REAL300020177503	1	41	-1.0	-39.43	336.82	5.75	-33.68
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL300020177504	0	36	-1.0	-43.34	326.82	5.91	-37.43
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL300020177504	1	36	-1.0	-43.33	326.86	5.91	-37.42
CCC1=NC=C2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC2=N1	REAL300020177505	0	44	-1.0	-39.30	358.04	6.36	-32.94
CCC1=NC=C2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CCC2=N1	REAL300020177505	1	44	-1.0	-39.35	358.09	6.36	-32.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)OC1=CC=CC=C1	REAL300020177506	0	34	-1.0	-41.40	304.31	6.09	-35.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)OC1=CC=CC=C1	REAL300020177506	1	34	-1.0	-41.36	304.36	6.10	-35.26
CC1=CN(CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)N=C1	REAL300020177507	0	43	-1.0	-44.08	367.20	7.81	-36.27
CC1=CN(CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)N=C1	REAL300020177507	1	43	-1.0	-44.09	367.15	7.81	-36.28
COCCC(C)(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177508	0	42	-1.0	-38.42	327.23	4.61	-33.81
COCCC(C)(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177508	1	42	-1.0	-38.38	327.27	4.61	-33.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(C(F)F)=N1	REAL300020177509	0	29	-1.0	-45.07	275.52	1.11	-43.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(C(F)F)=N1	REAL300020177509	1	29	-1.0	-44.96	275.56	1.12	-43.84
O=C(CCC1=CC=C(Br)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177510	0	33	-1.0	-38.08	318.41	6.76	-31.32
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CC(C)(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)(F)F	REAL300020177511	0	38	-1.0	-39.33	303.08	5.62	-33.71
CC(C)(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)(F)F	REAL300020177511	1	38	-1.0	-39.32	303.12	5.62	-33.70
CN1C=CC(C23CC(CC2)C3C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020177512	0	44	-1.0	-46.08	353.25	7.01	-39.07
CN1C=CC(C23CC(CC2)C3C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020177512	1	44	-1.0	-46.07	353.20	7.01	-39.06
CC1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N2CC2CC2)S1	REAL300020177513	0	44	-1.0	-42.98	373.90	9.32	-33.66
CC1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N2CC2CC2)S1	REAL300020177513	1	44	-1.0	-42.94	373.97	9.32	-33.62
O=C(CCC=CBr)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177514	0	30	-1.0	-37.29	281.92	5.22	-32.07
O=C(CCC=CBr)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177514	1	30	-1.0	-37.25	281.96	5.22	-32.03
CC1=CC(F)=CC(C(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177515	0	39	-1.0	-38.92	329.12	7.40	-31.52
CC1=CC(F)=CC(C(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177515	1	39	-1.0	-38.91	329.17	7.41	-31.50
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177516	0	36	-1.0	-42.56	324.70	5.21	-37.35
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177516	1	36	-1.0	-42.59	324.66	5.21	-37.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=CS2)N1CC(F)(F)F	REAL300020177517	0	37	-1.0	-43.90	343.47	7.42	-36.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=CS2)N1CC(F)(F)F	REAL300020177517	1	37	-1.0	-43.81	343.52	7.42	-36.39
CC1(C)CCC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(Cl)N=C2C1	REAL300020177518	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	REAL300020177518	1	45	-1.0	-39.01	367.87	7.51	-31.50
O=C(CC(C1=CC=CC=C1F)C(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177519	0	39	-1.0	-39.57	334.74	7.49	-32.08
O=C(CC(C1=CC=CC=C1F)C(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177519	1	39	-1.0	-39.57	334.81	7.49	-32.08
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C[NH+](C)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020178558	0	44	0.0	-57.61	368.54	5.84	-51.77
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CC1CN(C(=O)CCC2=N[N-]N=N2)CC1CNC(=O)OC(C)(C)C	REAL300020178567	0	49	-1.0	-44.18	383.91	2.91	-41.27
CC1CN(C(=O)CCC2=NN=N[N-]2)CC1CNC(=O)OC(C)(C)C	REAL300020178567	1	49	-1.0	-44.21	383.97	2.93	-41.28
CCC(CC1=CN(C)C2=CC=CC=C12)NC(=O)CCC1=N[N-]N=N1	REAL300020178568	0	45	-1.0	-44.17	367.54	6.74	-37.43
CCC(CC1=CN(C)C2=CC=CC=C12)NC(=O)CCC1=NN=N[N-]1	REAL300020178568	1	45	-1.0	-44.17	367.60	6.76	-37.41
CC1CC(CC(F)(F)F)C(C)N1C(=O)CCC1=N[N-]N=N1	REAL300020178569	0	38	-1.0	-39.97	304.26	4.69	-35.28
CC1CC(CC(F)(F)F)C(C)N1C(=O)CCC1=NN=N[N-]1	REAL300020178569	1	38	-1.0	-40.00	304.32	4.71	-35.29
CCOC(=O)C1=C(C)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020178570	0	34	-1.0	-46.10	313.35	3.39	-42.71
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COC(=O)C(CNC(=O)CCC1=NN=N[N-]1)C1CCCCC1	REAL300020178571	1	44	-1.0	-42.30	346.53	4.51	-37.79
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CC(C)(C)C1=CC2=CC=CN=C2C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020178574	0	43	-1.0	-43.69	347.17	5.46	-38.23
CC(C)(C)C1=CC2=CC=CN=C2C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020178574	1	43	-1.0	-43.63	347.11	5.45	-38.18
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CC(C)C(C)(CC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020178709	0	44	-1.0	-39.29	330.78	5.62	-33.67
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CC1CC(N2N=NC3=C2CN(C(=O)CCC2=N[N-]N=N2)CC3)C1	REAL300020178710	0	42	-1.0	-42.97	339.14	4.16	-38.81
CC1CC(N2N=NC3=C2CN(C(=O)CCC2=NN=N[N-]2)CC3)C1	REAL300020178710	1	42	-1.0	-42.98	339.20	4.17	-38.81
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CN(CC(O)COC1=CC(Cl)=CC(Cl)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020178713	0	40	-1.0	-42.32	367.97	3.87	-38.45
CN(CC(O)COC1=CC(Cl)=CC(Cl)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020178713	1	40	-1.0	-42.30	368.02	3.88	-38.42
COC1=CC=CC(CC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020178714	0	46	-1.0	-42.34	362.97	6.34	-36.00
COC1=CC=CC(CC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020178714	1	46	-1.0	-42.31	363.03	6.36	-35.95
CC(C)(C)OC(=O)NC(CCNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020178715	0	55	-1.0	-44.69	430.38	4.44	-40.25
CC(C)(C)OC(=O)NC(CCNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020178715	1	55	-1.0	-44.70	430.44	4.46	-40.24
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CCOC1=CC=C(N(CC2CC2)C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020178720	0	43	-1.0	-40.34	355.90	6.92	-33.42
CCOC1=CC=C(N(CC2CC2)C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020178720	1	43	-1.0	-40.34	355.96	6.93	-33.41
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O=C(CCC1=N[N-]N=N1)N1CCC(OC2=CC=C(C3CC3)C=N2)C1	REAL300020178723	1	43	-1.0	-41.25	357.42	4.25	-37.00
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CN1C(=O)CCC1=N[N-]N=N1	REAL300020178724	0	47	-1.0	-41.88	374.23	6.52	-35.36
CC(C)(C)OC(=O)N1CC2=CC=CC=C2CN1C(=O)CCC1=NN=N[N-]1	REAL300020178724	1	47	-1.0	-41.81	374.28	6.53	-35.28
CC(C)(C)C1=CSC(CC2(O)CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020178725	0	51	-1.0	-40.93	405.21	3.71	-37.22
CC(C)(C)C1=CSC(CC2(O)CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020178725	1	51	-1.0	-40.95	405.27	3.73	-37.22
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CC1(C)C(C2=CC=C(C(F)(F)F)C=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020178728	0	45	-1.0	-42.20	365.74	7.58	-34.62
CC1(C)C(C2=CC=C(C(F)(F)F)C=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020178728	1	45	-1.0	-42.18	365.80	7.60	-34.58
CC1(C2=CC=C(C(F)(F)F)C=C2)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020178729	0	42	-1.0	-42.39	347.68	7.33	-35.06
CC1(C2=CC=C(C(F)(F)F)C=C2)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020178729	1	42	-1.0	-42.38	347.73	7.34	-35.04
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CC1(CC2=CC=C(F)C(Cl)=C2)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020178731	0	42	-1.0	-39.30	351.69	7.35	-31.95
CC1(CC2=CC=C(F)C(Cl)=C2)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020178731	1	42	-1.0	-39.30	351.75	7.36	-31.94
CC1(CC2=CC=C(Cl)C(F)=C2)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020178732	0	42	-1.0	-39.26	351.69	7.35	-31.91
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CC1=CC=C2N=C(C3=CC=CC(NC(=O)CCC4=NN=N[N-]4)=C3)N=C2N1	REAL300020178813	1	41	-1.0	-63.77	354.26	4.98	-58.79
CNC(=O)CN(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020178814	0	39	-1.0	-48.24	334.96	3.67	-44.57
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CC1=CC=C(C[N@@H+]2CCC(NC(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020178818	0	45	0.0	-64.53	359.83	5.76	-58.77
CC1=CC=C(C[N@H+]2CCC(NC(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020178818	1	45	0.0	-64.49	360.39	5.85	-58.64
CC1=CC=C(C[N@@H+]2CCC(NC(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020178818	1	45	0.0	-64.53	359.89	5.78	-58.75
CC1=CC=C(C[N@H+]2CCC(NC(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020178818	1	45	0.0	-64.51	360.45	5.87	-58.64
CC(C)CC(=O)N1CCCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020178819	0	45	-1.0	-42.82	347.96	5.26	-37.56
CC(C)CC(=O)N1CCCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020178819	1	45	-1.0	-42.81	348.02	5.27	-37.54
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCC1=N[N-]N=N1	REAL300020178820	0	46	0.0	-62.82	355.60	4.17	-58.65
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCC1=NN=N[N-]1	REAL300020178820	1	46	0.0	-62.79	355.66	4.18	-58.61
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CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020178825	0	35	-2.0	-78.99	312.25	-0.17	-79.16
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020178825	1	35	-2.0	-78.99	312.30	-0.15	-79.14
CC1(NC(=O)C(F)(F)F)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020178825	1	36	-1.0	-39.73	315.22	1.27	-38.46
CC1(NC(=O)C(F)(F)F)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020178825	1	36	-1.0	-39.69	315.28	1.28	-38.41
CC(=O)N1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020178826	0	45	-1.0	-47.21	359.05	2.64	-44.57
CC(=O)N1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020178826	1	45	-1.0	-47.21	359.12	2.66	-44.55
CC(C)(C)OC(=O)N1CCC2C(CCCN2C(=O)CCC2=N[N-]N=N2)C1	REAL300020178827	0	53	-1.0	-42.96	393.87	5.77	-37.19
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CC1=CC(Br)=CC=C1SCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020178911	0	40	-1.0	-42.87	353.00	7.17	-35.70
CC1=CC(Br)=CC=C1SCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020178911	1	40	-1.0	-42.83	353.06	7.18	-35.65
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O=C(C1=CC2=CC=CC=C2OC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020178913	1	38	-1.0	-56.24	322.37	5.98	-50.26
CCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OCC	REAL300020178914	0	47	-1.0	-45.76	372.30	5.48	-40.28
CCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OCC	REAL300020178914	1	47	-1.0	-45.78	372.35	5.49	-40.29
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020178915	0	39	-1.0	-51.20	325.91	5.19	-46.01
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020178915	1	39	-1.0	-51.19	325.97	5.21	-45.98
CC(C)(C)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020178916	0	51	-1.0	-41.53	364.77	6.88	-34.65
CC(C)(C)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020178916	1	51	-1.0	-41.59	364.83	6.90	-34.69
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1[N+](=O)[O-]	REAL300020178917	0	38	-1.0	-47.13	310.82	5.58	-41.55
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1[N+](=O)[O-]	REAL300020178917	1	38	-1.0	-47.13	310.87	5.60	-41.53
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O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020178918	1	49	-1.0	-43.57	383.57	9.39	-34.18
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O=C(C1=CC(F)=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020178919	1	33	-1.0	-41.07	299.17	5.11	-35.96
COC1=CC(OC)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020178920	0	45	-1.0	-48.09	359.17	3.30	-44.79
COC1=CC(OC)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020178920	1	45	-1.0	-48.06	359.23	3.32	-44.74
CC1=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C)=C1	REAL300020178921	0	43	-1.0	-45.93	346.43	6.70	-39.23
CC1=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C)=C1	REAL300020178921	1	43	-1.0	-45.92	346.49	6.72	-39.20
O=C(COC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020178922	0	40	-1.0	-47.09	342.29	6.36	-40.73
O=C(COC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020178922	1	40	-1.0	-47.11	342.35	6.37	-40.74
COC1=CC=CC=C1OCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020178923	0	41	-1.0	-49.78	332.86	5.13	-44.65
COC1=CC=CC=C1OCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020178923	1	41	-1.0	-49.79	332.92	5.14	-44.65
COC1=CC=C(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020178924	0	48	-1.0	-46.16	387.66	2.45	-43.71
COC1=CC=C(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020178924	1	48	-1.0	-46.15	387.72	2.47	-43.68
CC(C)(C)C1=CC=C(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020178925	0	52	-1.0	-43.42	405.16	5.55	-37.87
CC(C)(C)C1=CC=C(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020178925	1	52	-1.0	-43.43	405.22	5.57	-37.86
CC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020178926	0	43	-1.0	-46.13	342.01	6.59	-39.54
CC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020178926	1	43	-1.0	-46.12	342.07	6.60	-39.52
CC1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020178927	0	44	-1.0	-46.86	370.16	1.78	-45.08
CC1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020178927	1	44	-1.0	-46.89	370.22	1.80	-45.09
O=C(COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020178928	0	49	-1.0	-49.05	400.19	8.63	-40.42
O=C(COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020178928	1	49	-1.0	-49.07	400.25	8.64	-40.43
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020178929	0	43	-1.0	-50.48	350.47	5.92	-44.56
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020178929	1	43	-1.0	-50.45	350.52	5.93	-44.52
COC1=CC=C(OC)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020178930	0	41	-1.0	-46.74	329.00	3.31	-43.43
COC1=CC=C(OC)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020178930	1	41	-1.0	-46.73	329.06	3.32	-43.41
O=C(C1=NNC(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020178931	0	38	-1.0	-42.87	310.81	2.80	-40.07
O=C(C1=NNC(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020178931	1	38	-1.0	-42.87	310.87	2.82	-40.05
O=C(COC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020178932	0	37	-1.0	-46.53	336.33	6.41	-40.12
O=C(COC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020178932	1	37	-1.0	-46.53	336.39	6.42	-40.11
O=C(C1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020178933	0	33	-1.0	-45.43	290.40	5.07	-40.36
O=C(C1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020178933	1	33	-1.0	-45.48	290.46	5.09	-40.39
CCCC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020178934	0	45	-1.0	-42.75	350.14	7.21	-35.54
CCCC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020178934	1	45	-1.0	-42.71	350.20	7.22	-35.49
O=C(CN1C=NC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020178935	0	41	-1.0	-56.04	340.39	5.92	-50.12
O=C(CN1C=NC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020178935	1	41	-1.0	-56.06	340.33	5.91	-50.15
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCOCC1	REAL300020178936	0	44	-1.0	-44.18	344.66	2.39	-41.79
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCOCC1	REAL300020178936	1	44	-1.0	-44.19	344.72	2.40	-41.79
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CC(C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179009	1	45	-1.0	-42.62	351.72	7.14	-35.48
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CC(C)OCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179012	0	46	-1.0	-43.82	367.68	5.89	-37.93
CC(C)OCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179012	1	46	-1.0	-43.87	367.73	5.91	-37.96
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CSC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179016	0	37	-1.0	-43.63	308.80	5.38	-38.25
CSC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179016	1	37	-1.0	-43.64	308.86	5.40	-38.24
NC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179017	0	37	-1.0	-49.35	303.24	1.17	-48.18
NC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179017	1	37	-1.0	-49.33	303.30	1.19	-48.14
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)N1C1=CC=CC=C1	REAL300020179018	0	47	-1.0	-44.82	378.54	8.49	-36.33
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)N1C1=CC=CC=C1	REAL300020179018	1	47	-1.0	-44.79	378.60	8.51	-36.28
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)N1C1=CC=C(F)C=C1	REAL300020179019	0	47	-1.0	-44.01	379.05	8.44	-35.57
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)N1C1=CC=C(F)C=C1	REAL300020179019	1	47	-1.0	-44.04	379.10	8.46	-35.58
O=C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179020	0	39	-1.0	-40.38	348.24	6.44	-33.94
O=C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179020	1	39	-1.0	-40.40	348.30	6.46	-33.94
O=C(C1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179021	0	37	-1.0	-40.82	316.45	4.24	-36.58
O=C(C1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179021	1	37	-1.0	-40.83	316.51	4.26	-36.57
O=C(C1=CC(C2=CC=CN=C2)=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179022	0	47	-1.0	-46.26	382.54	6.75	-39.51
O=C(C1=CC(C2=CC=CN=C2)=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179022	1	47	-1.0	-46.25	382.48	6.74	-39.51
O=C(C1=CC(C2=CC=CS2)=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179023	0	45	-1.0	-44.77	380.36	7.58	-37.19
O=C(C1=CC(C2=CC=CS2)=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179023	1	45	-1.0	-44.73	380.31	7.57	-37.16
CC1=NN(C2=CC=CC=C2)C2=C1C=C(C(=O)N1CCC(C3=N[N-]N=N3)CC1)S2	REAL300020179024	0	46	-1.0	-45.30	388.74	7.50	-37.80
CC1=NN(C2=CC=CC=C2)C2=C1C=C(C(=O)N1CCC(C3=NN=N[N-]3)CC1)S2	REAL300020179024	1	46	-1.0	-45.29	388.80	7.52	-37.77
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179025	0	48	-1.0	-45.91	392.40	3.59	-42.32
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179025	1	48	-1.0	-45.87	392.46	3.60	-42.27
CC1=CC=CC=C1OCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179026	0	40	-1.0	-45.70	323.68	6.09	-39.61
CC1=CC=CC=C1OCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179026	1	40	-1.0	-45.67	323.74	6.10	-39.57
O=C(CCC(=O)N1CC(=O)NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179027	0	48	-1.0	-47.76	385.24	3.94	-43.82
O=C(CCC(=O)N1CC(=O)NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179027	1	48	-1.0	-47.77	385.30	3.95	-43.82
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179028	0	40	-1.0	-51.20	324.42	3.31	-47.89
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179028	1	40	-1.0	-51.19	324.47	3.33	-47.86
O=C(CCCC1=CNC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179029	0	46	-1.0	-47.89	369.51	7.11	-40.78
O=C(CCCC1=CNC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179029	1	46	-1.0	-47.90	369.57	7.12	-40.78
O=C(C1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179030	0	33	-1.0	-43.54	291.79	5.05	-38.49
O=C(C1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179030	1	33	-1.0	-43.55	291.85	5.07	-38.48
O=C(CC1=CNC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179031	0	40	-1.0	-45.93	326.60	5.52	-40.41
O=C(CC1=CNC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179031	1	40	-1.0	-45.96	326.66	5.53	-40.43
O=C(CNC(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179032	0	40	-1.0	-44.27	329.05	3.23	-41.04
O=C(CNC(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179032	1	40	-1.0	-44.25	329.11	3.24	-41.01
O=C(C1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179033	0	33	-1.0	-41.83	290.04	5.02	-36.81
O=C(C1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179033	1	33	-1.0	-41.83	290.10	5.03	-36.80
CN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020179034	0	44	-1.0	-51.08	365.41	2.42	-48.66
CN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020179034	1	44	-1.0	-51.08	365.47	2.43	-48.65
O=C(CCNS(=O)(=O)C1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179035	0	44	-1.0	-50.34	369.18	1.56	-48.78
O=C(CCNS(=O)(=O)C1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179035	1	44	-1.0	-50.37	369.24	1.57	-48.80
CCCCCC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179036	0	56	-1.0	-42.93	443.71	9.88	-33.05
CCCCCC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179036	1	56	-1.0	-42.91	443.76	9.89	-33.02
CCOC(=O)C1=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)N1	REAL300020179037	0	46	-1.0	-47.70	377.08	5.10	-42.60
CCOC(=O)C1=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)N1	REAL300020179037	1	46	-1.0	-47.69	377.13	5.12	-42.57
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC(F)F	REAL300020179038	0	45	-1.0	-46.94	371.86	5.44	-41.50
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC(F)F	REAL300020179038	1	45	-1.0	-46.98	371.92	5.46	-41.52
CC(C)C(NC(=O)C1=C(F)C=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179039	0	49	-1.0	-48.09	394.85	5.33	-42.76
CC(C)C(NC(=O)C1=C(F)C=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179039	1	49	-1.0	-48.11	394.91	5.34	-42.77
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CCCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OCC	REAL300020179081	1	54	-1.0	-45.60	427.38	7.82	-37.78
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CCC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179083	0	47	-1.0	-43.04	379.21	7.54	-35.50
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COC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179085	0	40	-1.0	-44.40	322.97	4.80	-39.60
COC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179085	1	40	-1.0	-44.38	323.03	4.82	-39.56
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020179086	0	38	-1.0	-48.86	312.96	5.56	-43.30
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020179086	1	38	-1.0	-48.86	313.02	5.58	-43.28
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1C	REAL300020179087	0	44	-1.0	-43.37	347.55	3.85	-39.52
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1C	REAL300020179087	1	44	-1.0	-43.41	347.61	3.87	-39.54
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COC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020179090	0	47	-1.0	-45.15	374.84	5.47	-39.68
COC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020179090	1	47	-1.0	-45.14	374.90	5.48	-39.66
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O=C(CCNS(=O)(=O)C1=CC=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179092	1	41	-1.0	-50.17	362.79	0.82	-49.35
CC1CCCCC12NC(=O)N(CC(=O)N1CCC(C3=N[N-]N=N3)CC1)C2=O	REAL300020179093	0	51	-1.0	-48.92	392.29	4.23	-44.69
CC1CCCCC12NC(=O)N(CC(=O)N1CCC(C3=NN=N[N-]3)CC1)C2=O	REAL300020179093	1	51	-1.0	-48.92	392.35	4.25	-44.67
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CC1=CC=C(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179095	0	43	-1.0	-45.14	339.28	6.40	-38.74
CC1=CC=C(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179095	1	43	-1.0	-45.14	339.33	6.41	-38.73
CC1=CC=CC(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020179096	0	43	-1.0	-45.83	338.93	6.39	-39.44
CC1=CC=CC(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020179096	1	43	-1.0	-45.85	338.99	6.40	-39.45
NC(=O)C1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C([N+](=O)[O-])=C1	REAL300020179097	0	43	-1.0	-58.34	371.11	3.28	-55.06
NC(=O)C1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C([N+](=O)[O-])=C1	REAL300020179097	1	43	-1.0	-58.36	371.16	3.29	-55.07
CC(C)CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2C1=O	REAL300020179098	0	50	-1.0	-42.63	390.15	6.56	-36.07
CC(C)CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2C1=O	REAL300020179098	1	50	-1.0	-42.66	390.20	6.58	-36.08
CCCCCN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2C1=O	REAL300020179099	0	53	-1.0	-42.72	419.05	7.60	-35.12
CCCCCN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2C1=O	REAL300020179099	1	53	-1.0	-42.74	419.10	7.61	-35.13
O=C(C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179100	0	50	-1.0	-48.99	390.18	4.70	-44.29
O=C(C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179100	1	50	-1.0	-49.01	390.24	4.72	-44.29
CCOC1=CC=CC=C1N1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1=O	REAL300020179101	0	51	-1.0	-49.12	407.73	6.23	-42.89
CCOC1=CC=CC=C1N1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1=O	REAL300020179101	1	51	-1.0	-49.14	407.79	6.24	-42.90
CNC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020179102	0	40	-1.0	-49.37	328.64	4.11	-45.26
CNC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020179102	1	40	-1.0	-49.37	328.70	4.12	-45.25
CC(C)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179103	0	46	-1.0	-42.89	363.64	7.86	-35.03
CC(C)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179103	1	46	-1.0	-42.90	363.69	7.87	-35.03
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCC(C2=CC=CC=C2)=N1	REAL300020179104	0	50	-1.0	-47.78	407.31	6.56	-41.22
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCC(C2=CC=CC=C2)=N1	REAL300020179104	1	50	-1.0	-47.83	407.36	6.58	-41.25
O=C(NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C1CC1	REAL300020179105	0	44	-1.0	-50.03	356.43	4.89	-45.14
O=C(NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C1CC1	REAL300020179105	1	44	-1.0	-50.04	356.49	4.90	-45.14
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179106	0	41	-1.0	-47.21	342.23	0.02	-47.19
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179106	1	41	-1.0	-47.21	342.29	0.04	-47.17
NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020179107	0	38	-1.0	-50.86	331.96	-0.49	-51.35
NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020179107	1	38	-1.0	-50.88	332.02	-0.47	-51.35
O=C(C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179108	0	40	-1.0	-44.10	355.31	7.36	-36.74
O=C(C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179108	1	40	-1.0	-44.10	355.36	7.38	-36.72
CCOC1=C(Cl)C=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020179109	0	48	-1.0	-43.99	403.98	6.77	-37.22
CCOC1=C(Cl)C=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020179109	1	48	-1.0	-43.99	404.03	6.78	-37.21
CCCOC1=C(Cl)C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020179110	0	47	-1.0	-41.72	392.47	6.05	-35.67
CCCOC1=C(Cl)C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020179110	1	47	-1.0	-41.71	392.53	6.07	-35.64
CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179111	0	46	-1.0	-52.58	389.26	1.51	-51.07
CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179111	1	46	-1.0	-52.55	389.32	1.53	-51.02
O=C(C=CC1=CC=C(Br)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179112	0	34	-1.0	-41.75	315.35	5.77	-35.98
O=C(C=CC1=CC=C(Br)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179112	1	34	-1.0	-41.79	315.41	5.78	-36.01
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179113	0	41	-1.0	-48.23	355.17	1.18	-47.05
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179113	1	41	-1.0	-48.24	355.23	1.19	-47.05
O=C(CCCC1=CC=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179114	0	39	-1.0	-43.67	327.83	6.14	-37.53
O=C(CCCC1=CC=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179114	1	39	-1.0	-43.65	327.89	6.16	-37.49
O=C(CN1C=CC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179115	0	36	-1.0	-53.17	316.29	3.83	-49.34
O=C(CN1C=CC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179115	1	36	-1.0	-53.13	316.23	3.81	-49.32
CC1=CC=C(C)N1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179116	0	47	-1.0	-43.07	376.71	8.44	-34.63
CC1=CC=C(C)N1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179116	1	47	-1.0	-43.13	376.77	8.46	-34.67
COC1=CC=CC=C1CCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179117	0	43	-1.0	-44.16	344.37	5.61	-38.55
COC1=CC=CC=C1CCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179117	1	43	-1.0	-44.14	344.42	5.63	-38.51
CCC1=CC=C(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2=O)C=C1	REAL300020179118	0	50	-1.0	-54.30	385.73	6.90	-47.40
CCC1=CC=C(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2=O)C=C1	REAL300020179118	1	50	-1.0	-54.30	385.79	6.91	-47.39
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O=C(CSCC1=CC=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179120	0	37	-1.0	-44.73	329.36	5.97	-38.76
O=C(CSCC1=CC=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179120	1	37	-1.0	-44.74	329.41	5.98	-38.76
CC1=CC=CC(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CCC2=O)=C1	REAL300020179121	0	47	-1.0	-42.98	378.94	6.22	-36.76
CC1=CC=CC(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CCC2=O)=C1	REAL300020179121	1	47	-1.0	-43.00	379.00	6.23	-36.77
O=C(C=CC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179122	0	37	-1.0	-42.59	324.82	6.58	-36.01
O=C(C=CC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179122	1	37	-1.0	-42.59	324.87	6.59	-36.00
O=C(CCSC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179123	0	40	-1.0	-41.99	341.30	6.80	-35.19
O=C(CCSC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179123	1	40	-1.0	-41.98	341.35	6.81	-35.17
O=C(CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179124	0	49	-1.0	-52.97	398.89	4.64	-48.33
O=C(CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179124	1	49	-1.0	-52.97	398.95	4.66	-48.31
CC1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179125	0	40	-1.0	-43.86	334.63	6.65	-37.21
CC1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179125	1	40	-1.0	-43.90	334.69	6.67	-37.23
CC1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020179126	0	43	-1.0	-43.80	353.12	7.22	-36.58
CC1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020179126	1	43	-1.0	-43.86	353.18	7.23	-36.63
O=C(C1=CC2=C(CCCC2=O)NC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179127	0	42	-1.0	-59.03	343.99	3.07	-55.96
O=C(C1=CC2=C(CCCC2=O)NC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179127	1	42	-1.0	-59.06	344.05	3.08	-55.98
CC1=CC=C2C(=O)N(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)C(=O)C2=C1	REAL300020179128	0	43	-1.0	-51.38	361.29	5.27	-46.11
CC1=CC=C2C(=O)N(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)C(=O)C2=C1	REAL300020179128	1	43	-1.0	-51.40	361.34	5.29	-46.11
O=C(C1=C(N2C=NN=N2)C=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179129	0	35	-1.0	-51.25	311.78	3.91	-47.34
O=C(C1=C(N2C=NN=N2)C=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179129	1	35	-1.0	-51.26	311.72	3.89	-47.37
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179130	0	47	-1.0	-46.05	383.56	3.06	-42.99
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179130	1	47	-1.0	-46.02	383.62	3.08	-42.94
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1S(=O)(=O)N(C)C	REAL300020179131	0	48	-1.0	-52.63	387.69	2.30	-50.33
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1S(=O)(=O)N(C)C	REAL300020179131	1	48	-1.0	-52.63	387.75	2.31	-50.32
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020179132	0	45	-1.0	-51.26	380.27	1.99	-49.27
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020179132	1	45	-1.0	-51.28	380.33	2.00	-49.28
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179133	0	38	-1.0	-47.69	324.61	-0.60	-48.29
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179133	1	38	-1.0	-47.67	324.67	-0.59	-48.26
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020179134	0	41	-1.0	-47.99	363.04	1.14	-46.85
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020179134	1	41	-1.0	-48.00	363.10	1.16	-46.84
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020179135	0	44	-1.0	-48.59	370.29	2.67	-45.92
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020179135	1	44	-1.0	-48.60	370.34	2.69	-45.91
CC(C)(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020179136	0	50	-1.0	-50.44	391.99	2.37	-48.07
CC(C)(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020179136	1	50	-1.0	-50.46	392.04	2.39	-48.07
CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020179137	0	44	-1.0	-51.39	367.46	1.44	-49.95
CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020179137	1	44	-1.0	-51.42	367.52	1.46	-49.96
CC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179138	0	47	-1.0	-46.11	387.32	2.11	-44.00
CC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179138	1	47	-1.0	-46.18	387.38	2.13	-44.05
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179139	0	50	-1.0	-45.35	392.38	2.38	-42.97
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179139	1	50	-1.0	-45.34	392.44	2.40	-42.94
COC1=CC=C(S(=O)(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179140	0	46	-1.0	-48.61	384.81	2.57	-46.04
COC1=CC=C(S(=O)(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179140	1	46	-1.0	-48.64	384.87	2.59	-46.05
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O=C(C1=CC(Cl)=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179452	1	36	-1.0	-42.76	312.76	3.62	-39.14
O=C(C1=CC=C2SCCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179453	0	42	-1.0	-45.84	347.07	3.83	-42.01
O=C(C1=CC=C2SCCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179453	1	42	-1.0	-45.87	347.12	3.84	-42.03
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179454	0	40	-2.0	-91.71	346.45	1.41	-90.30
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179454	1	40	-2.0	-91.72	346.51	1.42	-90.30
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179455	0	43	-1.0	-44.95	363.93	5.66	-39.29
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179455	1	43	-1.0	-44.90	363.98	5.67	-39.23
CC1=CC=C(NC(=O)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179456	0	40	-1.0	-40.65	326.20	3.57	-37.08
CC1=CC=C(NC(=O)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179456	1	40	-1.0	-40.68	326.26	3.58	-37.10
CCOC1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179457	0	44	-1.0	-44.41	364.55	6.20	-38.21
CCOC1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179457	1	44	-1.0	-44.41	364.61	6.21	-38.20
O=C(CCC1=NC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179458	0	41	-1.0	-46.65	338.42	3.24	-43.41
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O=C(C1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179459	1	39	-1.0	-43.74	330.99	4.13	-39.61
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O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179462	1	48	-1.0	-46.91	381.10	3.02	-43.89
NS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179463	0	44	-1.0	-48.95	370.28	1.23	-47.72
NS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179463	1	44	-1.0	-49.00	370.34	1.25	-47.75
CNS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179464	0	47	-1.0	-48.10	392.71	2.44	-45.66
CNS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179464	1	47	-1.0	-48.10	392.77	2.46	-45.64
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COC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020179466	1	43	-1.0	-43.12	366.07	6.25	-36.87
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(S(=O)(=O)N(C)C)=C1C	REAL300020179467	0	50	-1.0	-51.96	389.11	3.43	-48.53
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(S(=O)(=O)N(C)C)=C1C	REAL300020179467	1	50	-1.0	-51.98	389.17	3.45	-48.53
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O=C(C=CC1=CC=C(N2C=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179468	1	44	-1.0	-47.01	359.35	8.34	-38.67
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O=C(C1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179469	1	45	-1.0	-47.57	379.51	2.30	-45.27
CC1=CC(N2C=CN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C)=C1	REAL300020179470	0	50	-1.0	-45.74	417.91	9.22	-36.52
CC1=CC(N2C=CN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C)=C1	REAL300020179470	1	50	-1.0	-45.71	417.85	9.21	-36.50
CC1=CC=CC=C1N1C=CN=C1SCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179471	0	47	-1.0	-45.44	392.17	8.50	-36.94
CC1=CC=CC=C1N1C=CN=C1SCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179471	1	47	-1.0	-45.45	392.11	8.49	-36.96
CC1=CC=CC(N2C=CN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020179472	0	50	-1.0	-45.44	409.15	8.81	-36.63
CC1=CC=CC(N2C=CN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020179472	1	50	-1.0	-45.44	409.09	8.80	-36.64
CC1=CC=C(C)C(N2C=CN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020179473	0	50	-1.0	-45.35	412.89	8.94	-36.41
CC1=CC=C(C)C(N2C=CN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020179473	1	50	-1.0	-45.31	412.84	8.92	-36.39
O=C(CCC1=NC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179474	0	44	-1.0	-44.47	356.57	6.64	-37.83
O=C(CCC1=NC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179474	1	44	-1.0	-44.48	356.62	6.65	-37.83
CSC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N1C1=CC=CC=C1	REAL300020179475	0	44	-1.0	-45.60	370.27	7.19	-38.41
CSC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N1C1=CC=CC=C1	REAL300020179475	1	44	-1.0	-45.57	370.21	7.18	-38.39
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C(C)=C1Cl	REAL300020179476	0	46	-1.0	-46.32	383.69	7.07	-39.25
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C(C)=C1Cl	REAL300020179476	1	46	-1.0	-46.33	383.75	7.09	-39.24
O=C(C1=CC=C2NC(=O)COC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179477	0	39	-1.0	-46.96	321.19	1.68	-45.28
O=C(C1=CC=C2NC(=O)COC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179477	1	39	-1.0	-47.01	321.25	1.70	-45.31
COC1=CC=C(N2C=CN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179478	0	48	-1.0	-45.75	404.60	7.19	-38.56
COC1=CC=C(N2C=CN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179478	1	48	-1.0	-45.71	404.54	7.18	-38.53
O=C(C1=CC=C(N2C=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179479	0	40	-1.0	-48.12	327.09	5.62	-42.50
O=C(C1=CC=C(N2C=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179479	1	40	-1.0	-48.10	327.03	5.61	-42.49
CC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=C1	REAL300020179480	0	40	-1.0	-47.29	345.43	6.69	-40.60
CC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Br)=C1	REAL300020179480	1	40	-1.0	-47.29	345.49	6.70	-40.59
CON(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020179481	0	45	-1.0	-52.60	376.97	2.39	-50.21
CON(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020179481	1	45	-1.0	-52.62	377.02	2.40	-50.22
O=C(COCC1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179482	0	42	-1.0	-51.25	360.80	5.28	-45.97
O=C(COCC1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179482	1	42	-1.0	-51.25	360.86	5.30	-45.95
O=C(C1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179483	0	42	-1.0	-43.28	349.34	4.92	-38.36
O=C(C1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179483	1	42	-1.0	-43.34	349.40	4.94	-38.40
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020179484	0	53	-1.0	-46.85	398.17	5.56	-41.29
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020179484	1	53	-1.0	-46.90	398.23	5.57	-41.33
O=C(C1=CC2=CC=C(F)C=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179485	0	36	-1.0	-41.42	313.03	5.86	-35.56
O=C(C1=CC2=CC=C(F)C=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179485	1	36	-1.0	-41.47	313.09	5.87	-35.60
O=C(C=CC1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179486	0	46	-1.0	-44.93	382.35	6.44	-38.49
O=C(C=CC1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179486	1	46	-1.0	-44.90	382.41	6.46	-38.44
CCC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179487	0	43	-1.0	-42.50	346.38	7.38	-35.12
CCC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179487	1	43	-1.0	-42.52	346.44	7.40	-35.12
COC1=CC=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1OC(F)F	REAL300020179488	0	45	-1.0	-48.98	372.71	5.56	-43.42
COC1=CC=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1OC(F)F	REAL300020179488	1	45	-1.0	-49.01	372.77	5.58	-43.43
CN1CC(=O)N(CCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020179489	0	44	-1.0	-52.64	359.97	3.57	-49.07
CN1CC(=O)N(CCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020179489	1	44	-1.0	-52.64	360.03	3.58	-49.06
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020179490	0	40	-1.0	-50.08	325.53	6.18	-43.90
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020179490	1	40	-1.0	-50.05	325.59	6.19	-43.86
O=C(CC1=CC=C(OC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179491	0	40	-1.0	-47.25	333.92	5.03	-42.22
O=C(CC1=CC=C(OC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179491	1	40	-1.0	-47.22	333.98	5.04	-42.18
O=C(C1=CC=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179492	0	33	-1.0	-43.07	295.86	5.07	-38.00
O=C(C1=CC=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179492	1	33	-1.0	-43.06	295.92	5.09	-37.97
O=C(C1=C2NC3=C(CCCC3)C2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179493	0	47	-1.0	-44.77	366.15	6.90	-37.87
O=C(C1=C2NC3=C(CCCC3)C2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179493	1	47	-1.0	-44.79	366.21	6.92	-37.87
CS(=O)(=O)N1CCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020179494	0	45	-1.0	-49.74	366.95	3.10	-46.64
CS(=O)(=O)N1CCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020179494	1	45	-1.0	-49.73	367.01	3.11	-46.62
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC2=C1OCCO2	REAL300020179495	0	43	-1.0	-44.85	344.14	3.45	-41.40
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC2=C1OCCO2	REAL300020179495	1	43	-1.0	-44.91	344.20	3.47	-41.44
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020179496	0	37	-1.0	-42.33	319.74	4.39	-37.94
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020179496	1	37	-1.0	-42.34	319.80	4.40	-37.94
CC1CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2N1S(C)(=O)=O	REAL300020179497	0	48	-1.0	-48.41	384.38	3.98	-44.43
CC1CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2N1S(C)(=O)=O	REAL300020179497	1	48	-1.0	-48.33	384.44	3.99	-44.34
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC=C1F	REAL300020179498	0	43	-1.0	-48.18	356.26	6.21	-41.97
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC=C1F	REAL300020179498	1	43	-1.0	-48.19	356.31	6.23	-41.96
CN(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300020179499	0	45	-1.0	-57.80	372.75	2.83	-54.97
CN(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300020179499	1	45	-1.0	-57.82	372.81	2.84	-54.98
O=C(C=CC1=C(Cl)C2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179500	0	40	-1.0	-43.72	355.38	7.88	-35.84
O=C(C=CC1=C(Cl)C2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179500	1	40	-1.0	-43.66	355.43	7.89	-35.77
COC(=O)C1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C12	REAL300020179501	0	46	-1.0	-51.53	382.98	7.47	-44.06
COC(=O)C1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C12	REAL300020179501	1	46	-1.0	-51.53	383.04	7.49	-44.04
O=C(CCN1C(=O)COC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179502	0	45	-1.0	-47.53	362.20	4.69	-42.84
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CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179694	0	46	-1.0	-43.82	374.61	6.82	-37.00
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179694	1	46	-1.0	-43.84	374.67	6.84	-37.00
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CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179695	1	46	-1.0	-41.67	395.65	7.21	-34.46
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179696	0	43	-1.0	-42.66	370.17	6.69	-35.97
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179696	1	43	-1.0	-42.66	370.23	6.70	-35.96
CC1CCN(C2=CC=C([N+](=O)[O-])C=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020179697	0	53	-1.0	-48.04	410.11	7.26	-40.78
CC1CCN(C2=CC=C([N+](=O)[O-])C=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020179697	1	53	-1.0	-48.06	410.16	7.27	-40.79
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CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179700	1	50	-1.0	-46.90	404.96	8.23	-38.67
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179701	0	47	-1.0	-44.74	400.21	8.05	-36.69
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179701	1	47	-1.0	-44.79	400.27	8.07	-36.72
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CC1=NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2N=C1C	REAL300020179705	0	43	-1.0	-45.30	346.17	4.01	-41.29
CC1=NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2N=C1C	REAL300020179705	1	43	-1.0	-45.31	346.23	4.03	-41.28
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CS(=O)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020179914	1	41	-1.0	-49.08	345.54	3.67	-45.41
CC1=CC=C(NC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020179915	0	48	-1.0	-42.57	383.50	7.52	-35.05
CC1=CC=C(NC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020179915	1	48	-1.0	-42.56	383.56	7.54	-35.02
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CC(C)=CC1C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1(C)C	REAL300020179917	0	46	-1.0	-41.76	348.72	6.82	-34.94
CC(C)=CC1C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1(C)C	REAL300020179917	1	46	-1.0	-41.76	348.77	6.84	-34.92
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COC1=CC=C(C)C=C1N1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1=O	REAL300020179919	0	51	-1.0	-49.48	404.30	5.89	-43.59
COC1=CC=C(C)C=C1N1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1=O	REAL300020179919	1	51	-1.0	-49.50	404.36	5.90	-43.60
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CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300020179921	0	42	-1.0	-42.27	371.08	6.51	-35.76
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300020179921	1	42	-1.0	-42.29	371.02	6.49	-35.80
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COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC2=C1OC(C)C2	REAL300020179927	0	45	-1.0	-45.57	356.97	4.33	-41.24
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC2=C1OC(C)C2	REAL300020179927	1	45	-1.0	-45.56	357.03	4.35	-41.21
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCC1	REAL300020179928	0	56	-1.0	-43.79	404.46	5.85	-37.94
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCC1	REAL300020179928	1	56	-1.0	-43.82	404.51	5.86	-37.96
CC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020179929	0	43	-1.0	-45.62	345.09	6.75	-38.87
CC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020179929	1	43	-1.0	-45.65	345.15	6.77	-38.88
CC(C)(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C(C)(C)C)=C1O	REAL300020179930	0	58	-1.0	-43.65	420.30	7.15	-36.50
CC(C)(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C(C)(C)C)=C1O	REAL300020179930	1	58	-1.0	-43.65	420.35	7.17	-36.48
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CCOC1=CC=CC=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179932	0	44	-1.0	-45.95	353.71	6.24	-39.71
CCOC1=CC=CC=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179932	1	44	-1.0	-45.94	353.77	6.25	-39.69
CC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020179933	0	40	-1.0	-42.57	338.93	7.04	-35.53
CC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020179933	1	40	-1.0	-42.57	338.98	7.05	-35.52
CC1=CC=CC(OCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020179934	0	43	-1.0	-42.94	345.94	5.75	-37.19
CC1=CC=CC(OCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020179934	1	43	-1.0	-42.95	346.00	5.77	-37.18
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CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(CC2=CC=C(F)C=C2)=N1	REAL300020179939	1	45	-1.0	-44.73	383.16	6.83	-37.90
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COC1=CC=C2C(=C1)OC(=O)C(CCC(=O)N1CCC(C3=N[N-]N=N3)CC1)=C2C	REAL300020179943	0	51	-1.0	-49.70	405.90	7.45	-42.25
COC1=CC=C2C(=C1)OC(=O)C(CCC(=O)N1CCC(C3=NN=N[N-]3)CC1)=C2C	REAL300020179943	1	51	-1.0	-49.70	405.96	7.46	-42.24
CC1=CC=CC2=C1N=CN(CCC(=O)N1CCC(C3=NN=N[N-]3)CC1)C2=O	REAL300020179944	0	47	-1.0	-47.13	381.57	7.25	-39.88
CC1=CC=CC2=C1N=CN(CCC(=O)N1CCC(C3=N[N-]N=N3)CC1)C2=O	REAL300020179944	1	47	-1.0	-47.17	381.51	7.24	-39.93
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C2C=NN(C(C)C)C2=N1	REAL300020179945	0	47	-1.0	-45.33	376.10	5.81	-39.52
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C2C=NN(C(C)C)C2=N1	REAL300020179945	1	47	-1.0	-45.32	376.15	5.83	-39.49
O=C(C1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179946	0	41	-1.0	-46.10	328.76	3.59	-42.51
O=C(C1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179946	1	41	-1.0	-46.09	328.82	3.60	-42.49
COC1=CC=C(N2C(C)=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2C)C=C1	REAL300020179947	0	51	-1.0	-45.32	402.14	7.66	-37.66
COC1=CC=C(N2C(C)=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2C)C=C1	REAL300020179947	1	51	-1.0	-45.32	402.20	7.67	-37.65
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179948	0	39	-1.0	-48.87	329.01	-1.23	-50.10
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179948	1	39	-1.0	-48.85	329.07	-1.21	-50.06
CSC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020179949	0	39	-1.0	-52.91	335.08	6.98	-45.93
CSC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020179949	1	39	-1.0	-52.91	335.13	6.99	-45.92
O=C(CC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179950	0	39	-1.0	-43.56	333.39	6.45	-37.11
O=C(CC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179950	1	39	-1.0	-43.53	333.44	6.46	-37.07
COC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020179951	0	41	-1.0	-44.41	348.93	5.81	-38.60
COC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020179951	1	41	-1.0	-44.39	348.99	5.83	-38.56
O=C(NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1)C1=CC=CN=C1	REAL300020179952	0	46	-1.0	-55.78	375.09	4.65	-51.13
O=C(NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1)C1=CC=CN=C1	REAL300020179952	1	46	-1.0	-55.78	375.04	4.63	-51.15
CC(C)(C)C(=O)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179953	0	49	-1.0	-56.07	360.77	5.48	-50.59
CC(C)(C)C(=O)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179953	1	49	-1.0	-56.11	360.82	5.50	-50.61
O=C(C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179954	0	50	-1.0	-46.32	407.44	7.53	-38.79
O=C(C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179954	1	50	-1.0	-46.32	407.49	7.55	-38.77
CC1=NNC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020179955	0	38	-1.0	-55.45	310.39	1.14	-54.31
CC1=NNC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020179955	1	38	-1.0	-55.45	310.45	1.15	-54.30
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300020179956	0	43	-1.0	-55.03	363.24	5.46	-49.57
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300020179956	1	43	-1.0	-55.06	363.30	5.48	-49.58
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179957	0	42	-1.0	-42.09	354.34	5.54	-36.55
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179957	1	42	-1.0	-42.10	354.40	5.56	-36.54
COC1=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C(C)N=C2C=C1	REAL300020179958	0	45	-1.0	-44.46	359.99	4.69	-39.77
COC1=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C(C)N=C2C=C1	REAL300020179958	1	45	-1.0	-44.49	360.05	4.71	-39.78
O=C(COC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020179959	0	54	-1.0	-54.18	420.00	7.39	-46.79
O=C(COC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020179959	1	54	-1.0	-54.25	420.05	7.41	-46.84
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020179960	0	41	-1.0	-47.52	349.26	0.73	-46.79
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020179960	1	41	-1.0	-47.48	349.32	0.75	-46.73
CC1CN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CC(C)O1	REAL300020179961	0	51	-1.0	-43.37	392.79	4.00	-39.37
CC1CN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CC(C)O1	REAL300020179961	1	51	-1.0	-43.38	392.74	3.99	-39.39
O=C(CN1C=C(Br)C=CC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179962	0	36	-1.0	-52.33	320.13	4.61	-47.72
O=C(CN1C=C(Br)C=CC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179962	1	36	-1.0	-52.34	320.19	4.62	-47.72
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179963	0	41	-1.0	-49.53	355.30	0.52	-49.01
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179963	1	41	-1.0	-49.56	355.35	0.54	-49.02
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CCOC1=CC=C(NC2=NC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020180218	1	51	-1.0	-46.18	404.34	7.18	-39.00
CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1N1C=CC=C1	REAL300020180219	0	41	-1.0	-45.79	336.48	5.80	-39.99
CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1N1C=CC=C1	REAL300020180219	1	41	-1.0	-45.80	336.42	5.79	-40.01
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COC1=CC(OC)=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC2=C1	REAL300020180221	0	45	-1.0	-44.41	359.88	3.47	-40.94
COC1=CC(OC)=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC2=C1	REAL300020180221	1	45	-1.0	-44.45	359.94	3.48	-40.97
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C([N+](=O)[O-])C=C1OC	REAL300020180222	0	43	-1.0	-52.15	353.49	5.19	-46.96
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C([N+](=O)[O-])C=C1OC	REAL300020180222	1	43	-1.0	-52.17	353.55	5.20	-46.97
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CCC1	REAL300020180223	0	43	-1.0	-40.82	327.88	6.54	-34.28
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CC1=CC=C(C)C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020180225	0	51	-1.0	-56.29	408.71	10.55	-45.74
CC1=CC=C(C)C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020180225	1	51	-1.0	-56.25	408.77	10.57	-45.68
CN(C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1)S(C)(=O)=O	REAL300020180226	0	44	-1.0	-59.08	364.60	2.99	-56.09
CN(C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1)S(C)(=O)=O	REAL300020180226	1	44	-1.0	-59.03	364.65	3.00	-56.03
CC(C)N1C=NN=C1SCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180227	0	42	-1.0	-46.70	353.41	6.54	-40.16
CC(C)N1C=NN=C1SCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180227	1	42	-1.0	-46.74	353.36	6.53	-40.21
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COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020180230	0	38	-1.0	-43.54	319.46	3.15	-40.39
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020180230	1	38	-1.0	-43.49	319.40	3.13	-40.36
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020180231	0	48	-1.0	-48.60	393.41	8.51	-40.09
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020180231	1	48	-1.0	-48.61	393.47	8.53	-40.08
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020180232	0	51	-1.0	-49.61	409.79	8.98	-40.63
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COC1=CC=C(C2=C(C)SC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C=C1	REAL300020180233	0	47	-1.0	-44.16	387.96	7.02	-37.14
COC1=CC=C(C2=C(C)SC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C=C1	REAL300020180233	1	47	-1.0	-44.14	388.02	7.04	-37.10
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180234	0	47	-1.0	-49.01	366.73	6.71	-42.30
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180234	1	47	-1.0	-49.03	366.79	6.72	-42.31
CCC1=NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2N=C1CC	REAL300020180235	0	49	-1.0	-44.51	386.23	5.36	-39.15
CCC1=NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2N=C1CC	REAL300020180235	1	49	-1.0	-44.53	386.29	5.38	-39.15
CSC1=CC=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020180236	0	40	-1.0	-42.19	328.15	6.08	-36.11
CSC1=CC=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020180236	1	40	-1.0	-42.23	328.21	6.09	-36.14
COC1=CC=CC=C1C=C(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020180237	0	51	-1.0	-44.57	405.82	8.30	-36.27
COC1=CC=CC=C1C=C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020180237	1	51	-1.0	-44.59	405.88	8.31	-36.28
O=C(C(=CC1=CC=CC(Cl)=C1)C1=CC=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180238	0	44	-1.0	-41.00	383.96	8.71	-32.29
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COC1=CC=C2C(=C1)C(C(=O)N1CCC(C3=N[N-]N=N3)CC1)=C(C)N2C1CC1	REAL300020180239	0	51	-1.0	-46.65	407.35	7.61	-39.04
COC1=CC=C2C(=C1)C(C(=O)N1CCC(C3=NN=N[N-]3)CC1)=C(C)N2C1CC1	REAL300020180239	1	51	-1.0	-46.67	407.40	7.63	-39.04
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CC1=C2C(=CC=C1)SC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)=C2Cl	REAL300020180241	0	39	-1.0	-44.02	336.49	6.75	-37.27
CC1=C2C(=CC=C1)SC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)=C2Cl	REAL300020180241	1	39	-1.0	-44.02	336.54	6.77	-37.25
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CC1=CC=C(C)N1C1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CS1	REAL300020180243	0	44	-1.0	-41.32	362.52	7.41	-33.91
CC1=CC=C(C)N1C1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CS1	REAL300020180243	1	44	-1.0	-41.34	362.58	7.43	-33.91
CN1C2=CC=CC=C2C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C1=CC=CC=C1	REAL300020180244	0	50	-1.0	-48.64	402.28	9.57	-39.07
CN1C2=CC=CC=C2C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C1=CC=CC=C1	REAL300020180244	1	50	-1.0	-48.58	402.33	9.58	-39.00
CC1=CC=CC=C1OCCCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180245	0	46	-1.0	-45.59	366.10	6.60	-38.99
CC1=CC=CC=C1OCCCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180245	1	46	-1.0	-45.57	366.16	6.61	-38.96
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O=C(C1=CC=CN=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180246	1	39	-1.0	-48.12	322.38	5.19	-42.93
CC1=CN2C=C(CSCC(=O)N3CCC(C4=N[N-]N=N4)CC3)N=C2C=C1	REAL300020180247	0	46	-1.0	-51.44	387.48	8.00	-43.44
CC1=CN2C=C(CSCC(=O)N3CCC(C4=NN=N[N-]4)CC3)N=C2C=C1	REAL300020180247	1	46	-1.0	-51.47	387.53	8.02	-43.45
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180248	0	48	-1.0	-49.53	394.68	7.20	-42.33
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180248	1	48	-1.0	-49.54	394.62	7.19	-42.35
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=NN=CN1	REAL300020180249	0	38	-1.0	-47.20	319.55	6.99	-40.21
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=NN=CN1	REAL300020180249	1	38	-1.0	-47.20	319.61	7.01	-40.19
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=NC(C(F)(F)F)=NN1	REAL300020180250	0	41	-1.0	-42.22	361.70	6.93	-35.29
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=NC(C(F)(F)F)=NN1	REAL300020180250	1	41	-1.0	-42.22	361.75	6.94	-35.28
O=C(C1=CC=C(N2C=NC=N2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180251	0	38	-1.0	-44.37	320.79	6.22	-38.15
O=C(C1=CC=C(N2C=NC=N2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180251	1	38	-1.0	-44.41	320.73	6.20	-38.21
CC1=NOC2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C12	REAL300020180252	0	37	-1.0	-43.10	308.81	1.79	-41.31
CC1=NOC2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C12	REAL300020180252	1	37	-1.0	-43.10	308.87	1.81	-41.29
O=C(CCCOC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180253	0	43	-1.0	-45.38	352.48	5.93	-39.45
O=C(CCCOC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180253	1	43	-1.0	-45.38	352.54	5.94	-39.44
O=C(C1=CC=CS1)N1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180254	0	47	-1.0	-55.13	370.40	6.68	-48.45
O=C(C1=CC=CS1)N1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180254	1	47	-1.0	-55.12	370.46	6.70	-48.42
O=C(C1=CC=CC=C1CCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180255	0	49	-1.0	-45.96	389.81	9.57	-36.39
O=C(C1=CC=CC=C1CCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180255	1	49	-1.0	-45.95	389.87	9.59	-36.36
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300020180256	0	40	-1.0	-43.34	335.86	6.84	-36.50
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300020180256	1	40	-1.0	-43.31	335.91	6.85	-36.46
CC1=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C(C)N=C2C=C1	REAL300020180257	0	44	-1.0	-45.69	351.88	6.04	-39.65
CC1=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C(C)N=C2C=C1	REAL300020180257	1	44	-1.0	-45.71	351.94	6.05	-39.66
O=C(C1=CC=CN=C1SC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180258	0	43	-1.0	-48.50	361.57	6.92	-41.58
O=C(C1=CC=CN=C1SC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180258	1	43	-1.0	-48.47	361.51	6.90	-41.57
O=C(C1CC2CCCC(C1)C2=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180259	0	45	-1.0	-43.90	330.21	5.27	-38.63
O=C(C1CC2CCCC(C1)C2=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180259	1	45	-1.0	-43.89	330.26	5.28	-38.61
CC1=CC=C(C2=NNC(=S)N2CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020180260	0	46	-1.0	-54.02	384.78	7.79	-46.23
CC1=CC=C(C2=NNC(=S)N2CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020180260	1	46	-1.0	-54.06	384.84	7.80	-46.26
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020180260	1	45	-2.0	-106.73	381.36	7.63	-99.10
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020180260	1	45	-2.0	-106.72	381.42	7.64	-99.08
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180261	0	41	-2.0	-99.16	354.88	5.56	-93.60
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180261	1	41	-2.0	-99.14	354.94	5.58	-93.56
O=C(CN1C(=O)C2=CC=CC=C2NC1=S)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180261	1	42	-1.0	-54.89	357.98	6.01	-48.88
O=C(CN1C(=O)C2=CC=CC=C2NC1=S)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180261	1	42	-1.0	-54.85	358.04	6.02	-48.83
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180262	0	45	-1.0	-53.36	370.67	5.67	-47.69
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180262	1	45	-1.0	-53.39	370.73	5.68	-47.71
O=C(C1=CC=CC=C1N1C=NN=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180263	0	38	-1.0	-59.25	314.11	4.76	-54.49
O=C(C1=CC=CC=C1N1C=NN=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180263	1	38	-1.0	-59.28	314.05	4.75	-54.53
O=C(C(CC1=CC=CC=C1)N1C=NN=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180264	0	44	-1.0	-44.39	358.15	6.14	-38.25
O=C(C(CC1=CC=CC=C1)N1C=NN=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180264	1	44	-1.0	-44.35	358.09	6.12	-38.23
CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C3=N[N-]N=N3)CC1)C2=O	REAL300020180265	0	54	-1.0	-48.34	414.01	4.73	-43.61
CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C3=NN=N[N-]3)CC1)C2=O	REAL300020180265	1	54	-1.0	-48.38	414.07	4.74	-43.64
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CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180303	1	55	-1.0	-43.92	423.22	6.17	-37.75
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CC1OC2=CC=CC=C2OC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180304	1	42	-1.0	-45.85	327.44	5.33	-40.52
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CC(C)C1=CC=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)NC2=C1	REAL300020180306	0	46	-1.0	-42.84	363.03	6.72	-36.12
CC(C)C1=CC=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)NC2=C1	REAL300020180306	1	46	-1.0	-42.82	363.08	6.74	-36.08
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CC(OC1=CC=CC(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180309	0	40	-1.0	-46.25	323.01	5.74	-40.51
CC(OC1=CC=CC(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180309	1	40	-1.0	-46.23	323.07	5.75	-40.48
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CC(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(O)C(C(C)C)=C1	REAL300020180408	0	52	-1.0	-44.41	400.82	5.86	-38.55
CC(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(O)C(C(C)C)=C1	REAL300020180408	1	52	-1.0	-44.43	400.88	5.88	-38.55
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CC1=CC(C)=C2C(=C1)SC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)=C2Cl	REAL300020180410	0	42	-1.0	-43.71	357.94	7.41	-36.30
CC1=CC(C)=C2C(=C1)SC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)=C2Cl	REAL300020180410	1	42	-1.0	-43.71	358.00	7.42	-36.29
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CC(C)OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020180703	0	42	-1.0	-43.11	339.55	3.02	-40.09
CC(C)OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020180703	1	42	-1.0	-43.12	339.49	3.01	-40.11
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CC(C)CS(=O)(=O)CCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180706	1	44	-1.0	-47.87	356.56	2.51	-45.36
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CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020180714	0	47	-1.0	-55.29	383.11	4.10	-51.19
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020180714	1	47	-1.0	-55.30	383.05	4.09	-51.21
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC(F)F	REAL300020180715	0	41	-1.0	-50.17	338.35	3.93	-46.24
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CC1=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CCC2)=CC(C)=C1	REAL300020180856	0	49	-1.0	-43.28	372.22	7.93	-35.35
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CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020180859	0	42	-1.0	-51.26	354.71	3.11	-48.15
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CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180861	1	47	-1.0	-47.05	372.44	6.10	-40.95
CC(SC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180862	0	40	-1.0	-41.63	350.83	6.94	-34.69
CC(SC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180862	1	40	-1.0	-41.64	350.89	6.96	-34.68
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020180863	0	42	-1.0	-47.72	350.55	6.51	-41.21
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020180863	1	42	-1.0	-47.69	350.61	6.53	-41.16
CCOC1=CC=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)NC2=C1	REAL300020180864	0	44	-1.0	-43.60	354.25	5.02	-38.58
CCOC1=CC=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)NC2=C1	REAL300020180864	1	44	-1.0	-43.58	354.30	5.04	-38.54
CC1=CC(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020180865	0	43	-1.0	-44.26	352.79	6.80	-37.46
CC1=CC(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020180865	1	43	-1.0	-44.25	352.85	6.82	-37.43
CC1=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2)=CC(C)=C1	REAL300020180866	0	46	-1.0	-43.33	361.95	7.65	-35.68
CC1=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2)=CC(C)=C1	REAL300020180866	1	46	-1.0	-43.34	362.00	7.67	-35.67
CCC(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020180867	0	43	-1.0	-55.25	346.46	4.12	-51.13
CCC(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020180867	1	43	-1.0	-55.30	346.51	4.14	-51.16
CC(=O)NC1=C(C)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020180868	0	43	-1.0	-52.38	339.59	6.08	-46.30
CC(=O)NC1=C(C)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180868	1	43	-1.0	-52.40	339.64	6.10	-46.30
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O=C(CCCOCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020180869	1	49	-1.0	-44.85	393.18	7.12	-37.73
CCC(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020180870	0	46	-1.0	-46.06	351.19	4.48	-41.58
CCC(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020180870	1	46	-1.0	-46.04	351.23	4.50	-41.54
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CC(SC1=NN=NN1C1CC1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181019	1	42	-1.0	-43.93	354.00	4.27	-39.66
CCCOC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181020	0	43	-1.0	-44.59	359.57	6.24	-38.35
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CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(S(N)(=O)=O)S1	REAL300020181331	1	38	-1.0	-46.95	335.53	-0.78	-47.73
NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(Cl)=N1	REAL300020181332	0	34	-1.0	-41.78	295.92	1.83	-39.95
NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(Cl)=N1	REAL300020181332	1	34	-1.0	-41.81	295.86	1.81	-40.00
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1C(=S)NN=C1C1=CC=CS1	REAL300020181333	0	43	-1.0	-46.65	364.48	6.14	-40.51
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1C(=S)NN=C1C1=CC=CS1	REAL300020181333	1	43	-1.0	-46.67	364.53	6.16	-40.51
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020181333	1	42	-2.0	-97.05	360.01	5.89	-91.16
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020181333	1	42	-2.0	-97.06	360.07	5.90	-91.16
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=C1	REAL300020181334	0	37	-1.0	-45.24	318.87	4.32	-40.92
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Br)=C1	REAL300020181334	1	37	-1.0	-45.19	318.93	4.33	-40.86
O=C(C1=CC=C2OCOC2=C1)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181335	0	50	-1.0	-56.02	388.75	5.51	-50.51
O=C(C1=CC=C2OCOC2=C1)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181335	1	50	-1.0	-56.01	388.81	5.52	-50.49
COC1=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CCC2)=CC=C1C	REAL300020181336	0	50	-1.0	-45.45	379.04	6.65	-38.80
COC1=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CCC2)=CC=C1C	REAL300020181336	1	50	-1.0	-45.52	379.09	6.67	-38.85
O=C(C1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181337	0	45	-1.0	-48.22	383.33	2.30	-45.92
O=C(C1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181337	1	45	-1.0	-48.18	383.39	2.31	-45.87
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1C=C(Br)C=N1	REAL300020181338	0	39	-1.0	-47.87	321.91	4.17	-43.70
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1C=C(Br)C=N1	REAL300020181338	1	39	-1.0	-47.86	321.85	4.15	-43.71
CC(C)(C)OC(=O)N1CSCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181339	0	48	-1.0	-49.74	377.19	5.19	-44.55
CC(C)(C)OC(=O)N1CSCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181339	1	48	-1.0	-49.72	377.25	5.20	-44.52
O=C(C1=CC2=C(Br)C=CC=C2N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181340	0	37	-1.0	-44.58	321.77	5.48	-39.10
O=C(C1=CC2=C(Br)C=CC=C2N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181340	1	37	-1.0	-44.60	321.83	5.49	-39.11
O=C(CC1=CNC2=CC(F)=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181341	0	40	-1.0	-45.33	333.01	5.59	-39.74
O=C(CC1=CNC2=CC(F)=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181341	1	40	-1.0	-45.36	333.07	5.60	-39.76
COC1=CC(N2C=CC=C2)=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181342	0	45	-1.0	-44.37	379.12	7.47	-36.90
COC1=CC(N2C=CC=C2)=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181342	1	45	-1.0	-44.38	379.17	7.48	-36.90
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300020181343	0	39	-1.0	-44.83	325.95	5.19	-39.64
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300020181343	1	39	-1.0	-44.85	326.01	5.20	-39.65
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181344	0	52	0.0	-68.29	389.48	8.17	-60.12
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181344	1	52	0.0	-68.29	389.54	8.19	-60.10
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)NC(C2=CC=CC=C2)=N1	REAL300020181345	0	43	-1.0	-42.97	354.59	5.48	-37.49
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)NC(C2=CC=CC=C2)=N1	REAL300020181345	1	43	-1.0	-43.00	354.65	5.49	-37.51
NC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020181346	0	36	-1.0	-44.60	300.66	-0.62	-45.22
NC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020181346	1	36	-1.0	-44.59	300.60	-0.64	-45.23
CN(C)C(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020181347	0	44	-1.0	-41.67	341.49	4.26	-37.41
CN(C)C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020181347	1	44	-1.0	-41.66	341.55	4.27	-37.39
C[NH+](C)C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020181347	1	45	0.0	-54.52	338.42	6.37	-48.15
O=C(C(OC1=CC=C(Cl)C=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181348	0	47	-1.0	-43.56	391.41	9.09	-34.47
O=C(C(OC1=CC=C(Cl)C=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181348	1	47	-1.0	-43.54	391.46	9.10	-34.44
CC(OC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181349	0	40	-1.0	-44.27	330.05	5.82	-38.45
CC(OC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181349	1	40	-1.0	-44.26	330.11	5.83	-38.43
O=C(C1=CC=CN1CC1=CC=NC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181350	0	43	-1.0	-47.04	346.12	6.03	-41.01
O=C(C1=CC=CN1CC1=CC=NC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181350	1	43	-1.0	-47.09	346.17	6.05	-41.04
O=C(CNS(=O)(=O)C1=CC=C2COCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181351	0	46	-1.0	-48.34	384.73	0.41	-47.93
O=C(CNS(=O)(=O)C1=CC=C2COCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181351	1	46	-1.0	-48.35	384.79	0.42	-47.93
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C(C)C	REAL300020181352	0	54	0.0	-66.98	396.10	7.92	-59.06
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C(C)C	REAL300020181352	1	54	0.0	-66.26	386.54	7.46	-58.80
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C(C)C	REAL300020181352	1	54	0.0	-66.98	396.15	7.94	-59.04
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C(C)C	REAL300020181352	1	54	0.0	-66.27	386.60	7.48	-58.79
O=C(C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181353	0	41	-1.0	-43.13	360.11	4.97	-38.16
O=C(C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181353	1	41	-1.0	-43.09	360.05	4.95	-38.14
CC1=CC=C(I)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020181354	0	36	-1.0	-43.41	316.65	6.13	-37.28
CC1=CC=C(I)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020181354	1	36	-1.0	-43.41	316.71	6.14	-37.27
CCCNC(=O)NC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020181355	0	51	-1.0	-48.89	408.88	4.57	-44.32
CCCNC(=O)NC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020181355	1	51	-1.0	-48.91	408.94	4.58	-44.33
CC1CCC(NS(=O)(=O)CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020181356	0	50	-1.0	-51.98	387.12	2.09	-49.89
CC1CCC(NS(=O)(=O)CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020181356	1	50	-1.0	-51.99	387.18	2.10	-49.89
COCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020181357	0	46	-1.0	-42.72	374.61	1.91	-40.81
COCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020181357	1	46	-1.0	-42.70	374.55	1.89	-40.81
O=C(CC1CCCC1)NC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020181358	0	59	-1.0	-44.42	434.97	7.06	-37.36
O=C(CC1CCCC1)NC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020181358	1	59	-1.0	-44.42	435.03	7.08	-37.34
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC2=CC=CC=C21	REAL300020181359	0	46	-1.0	-42.81	336.35	6.71	-36.10
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC2=CC=CC=C21	REAL300020181359	1	46	-1.0	-42.87	336.41	6.72	-36.15
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020181360	0	43	-1.0	-42.14	364.96	7.77	-34.37
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020181360	1	43	-1.0	-42.20	365.02	7.79	-34.41
O=C(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181361	0	45	-1.0	-49.43	384.41	5.11	-44.32
O=C(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181361	1	45	-1.0	-49.43	384.36	5.09	-44.34
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181362	0	42	-1.0	-44.73	344.86	5.05	-39.68
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181362	1	42	-1.0	-44.72	344.80	5.03	-39.69
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181363	0	42	-1.0	-44.90	351.35	5.79	-39.11
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181363	1	42	-1.0	-44.92	351.29	5.77	-39.15
O=C(C1=CSC(CC2=CC=C(F)C=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181364	0	42	-1.0	-45.57	364.20	6.84	-38.73
O=C(C1=CSC(CC2=CC=C(F)C=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181364	1	42	-1.0	-45.56	364.26	6.85	-38.71
CCCOC1=CC=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CS2)C=C1	REAL300020181365	0	49	-1.0	-43.71	406.86	7.10	-36.61
CCCOC1=CC=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CS2)C=C1	REAL300020181365	1	49	-1.0	-43.68	406.81	7.08	-36.60
O=C(CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181366	0	47	-1.0	-47.28	395.98	2.61	-44.67
O=C(CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181366	1	47	-1.0	-47.29	396.04	2.62	-44.67
CC1=CC=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CNC2=C1	REAL300020181367	0	43	-1.0	-46.04	347.98	6.17	-39.87
CC1=CC=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CNC2=C1	REAL300020181367	1	43	-1.0	-46.07	348.03	6.19	-39.88
O=C(C1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCCC1	REAL300020181368	0	53	-1.0	-46.98	392.65	5.90	-41.08
O=C(C1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCCC1	REAL300020181368	1	53	-1.0	-46.97	392.71	5.92	-41.05
CC1=NC(CN2CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2)=CS1	REAL300020181369	0	50	-1.0	-45.46	395.75	3.80	-41.66
CC1=NC(CN2CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2)=CS1	REAL300020181369	1	50	-1.0	-45.45	395.80	3.81	-41.64
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2)=CS1	REAL300020181369	1	51	0.0	-68.33	398.20	6.00	-62.33
O=C(CCN1C=CNC(=O)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181370	0	39	-1.0	-59.18	325.57	2.51	-56.67
O=C(CCN1C=CNC(=O)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181370	1	39	-1.0	-59.18	325.62	2.53	-56.65
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181370	1	38	-2.0	-96.11	322.16	1.38	-94.73
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181370	1	38	-2.0	-96.18	322.22	1.39	-94.79
CCC(C)C(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020181371	0	52	-1.0	-40.86	386.04	5.48	-35.38
CCC(C)C(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020181371	1	52	-1.0	-40.87	386.10	5.50	-35.37
CS(=O)(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020181372	0	41	-1.0	-50.20	348.64	1.19	-49.01
CS(=O)(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020181372	1	41	-1.0	-50.17	348.69	1.20	-48.97
O=C(CCNC(=O)C1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181373	0	49	-1.0	-50.06	376.92	4.15	-45.91
O=C(CCNC(=O)C1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181373	1	49	-1.0	-50.11	376.98	4.17	-45.94
CS(=O)(=O)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020181374	0	39	-1.0	-52.55	336.77	1.06	-51.49
CS(=O)(=O)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020181374	1	39	-1.0	-52.56	336.83	1.07	-51.49
O=C(NC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1)C1CCCC1	REAL300020181375	0	56	-1.0	-49.21	419.23	5.93	-43.28
O=C(NC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1)C1CCCC1	REAL300020181375	1	56	-1.0	-49.22	419.29	5.94	-43.28
CCC1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1[N+](=O)[O-]	REAL300020181376	0	38	-1.0	-46.75	324.40	3.31	-43.44
CCC1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1[N+](=O)[O-]	REAL300020181376	1	38	-1.0	-46.75	324.45	3.33	-43.42
CCC1=C([N+](=O)[O-])C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1	REAL300020181376	1	38	-1.0	-49.05	323.10	3.59	-45.46
CCC1=C([N+](=O)[O-])C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1	REAL300020181376	1	38	-1.0	-49.04	323.16	3.60	-45.44
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O=C(C1=CC=C(N2C=NN=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181377	1	39	-1.0	-49.49	319.52	7.36	-42.13
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COC1=CC=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC1	REAL300020181417	1	47	-1.0	-45.01	356.76	5.97	-39.04
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CC1=CC=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020181424	0	43	-1.0	-42.35	333.60	6.82	-35.53
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CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020181471	0	43	-1.0	-42.53	376.73	8.31	-34.22
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020181471	1	43	-1.0	-42.57	376.79	8.32	-34.25
CC1=C([N+](=O)[O-])C(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020181472	0	43	-1.0	-40.02	362.05	7.19	-32.83
CC1=C([N+](=O)[O-])C(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020181472	1	43	-1.0	-40.02	362.11	7.21	-32.81
CC(C)OC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181473	0	46	-1.0	-44.06	362.75	6.35	-37.71
CC(C)OC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181473	1	46	-1.0	-44.05	362.80	6.37	-37.68
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CC1=CC=CN2C=C(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)N=C12	REAL300020181475	0	42	-1.0	-55.18	342.22	6.66	-48.52
CC1=CC=CN2C=C(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)N=C12	REAL300020181475	1	42	-1.0	-55.24	342.27	6.67	-48.57
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CC1=CC=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CCCC2)=C1	REAL300020181477	0	49	-1.0	-41.52	360.05	8.29	-33.23
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CC(C)(C)OC(=O)N1CCOCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181876	1	51	-1.0	-49.38	383.97	3.77	-45.61
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CC(C)(OC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181930	0	43	-1.0	-43.46	338.50	6.11	-37.35
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181930	1	43	-1.0	-43.48	338.56	6.12	-37.36
CC(CC1CCCCC1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181931	0	48	-1.0	-40.68	352.54	6.78	-33.90
CC(CC1CCCCC1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181931	1	48	-1.0	-40.70	352.59	6.80	-33.90
CC1=CC=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC2=C1C	REAL300020181932	0	43	-1.0	-43.70	338.46	6.08	-37.62
CC1=CC=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC2=C1C	REAL300020181932	1	43	-1.0	-43.73	338.52	6.10	-37.63
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)NC2=CC(F)=C1	REAL300020181933	0	40	-1.0	-42.06	327.98	5.61	-36.45
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)NC2=CC(F)=C1	REAL300020181933	1	40	-1.0	-42.07	328.03	5.62	-36.45
CC1=CC=C(OCC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C=N1	REAL300020181934	0	49	-1.0	-48.08	397.60	6.51	-41.57
CC1=CC=C(OCC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C=N1	REAL300020181934	1	49	-1.0	-48.07	397.66	6.53	-41.54
CC1=NOC(COCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020181935	0	38	-1.0	-51.40	320.75	1.47	-49.93
CC1=NOC(COCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020181935	1	38	-1.0	-51.43	320.81	1.48	-49.95
CCC(CC1CCCC1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181936	0	48	-1.0	-42.08	351.20	6.71	-35.37
CCC(CC1CCCC1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181936	1	48	-1.0	-42.05	351.25	6.73	-35.32
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O=C(C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181937	1	43	-1.0	-44.37	368.25	6.05	-38.32
CC1=CC=C(N2CCCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020181938	0	48	-1.0	-44.64	364.58	5.66	-38.98
CC1=CC=C(N2CCCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020181938	1	48	-1.0	-44.65	364.63	5.68	-38.97
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCN1C(=O)C1=CC=CC=C1	REAL300020181939	0	50	-1.0	-51.25	372.64	6.15	-45.10
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCN1C(=O)C1=CC=CC=C1	REAL300020181939	1	50	-1.0	-51.22	372.69	6.16	-45.06
CCC(OC1CCCC1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181940	0	46	-1.0	-43.99	345.11	5.90	-38.09
CCC(OC1CCCC1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181940	1	46	-1.0	-44.00	345.17	5.92	-38.08
CC(OC1CCCCC1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181941	0	46	-1.0	-44.05	347.74	5.93	-38.12
CC(OC1CCCCC1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181941	1	46	-1.0	-44.06	347.80	5.95	-38.11
CC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CCOCC2)C=C1	REAL300020181942	0	50	-1.0	-42.24	367.78	5.83	-36.41
CC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CCOCC2)C=C1	REAL300020181942	1	50	-1.0	-42.25	367.84	5.84	-36.41
CCC1=NC(C)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181943	0	40	-1.0	-41.47	321.43	3.67	-37.80
CCC1=NC(C)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181943	1	40	-1.0	-41.50	321.49	3.68	-37.82
O=C(C1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181944	0	47	-1.0	-46.27	388.17	7.78	-38.49
O=C(C1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181944	1	47	-1.0	-46.28	388.23	7.79	-38.49
N#CCOC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020181945	0	41	-1.0	-47.73	345.37	5.45	-42.28
N#CCOC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020181945	1	41	-1.0	-47.71	345.43	5.47	-42.24
CCCCCCC(CC)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181946	0	50	-1.0	-41.19	371.71	7.15	-34.04
CCCCCCC(CC)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181946	1	50	-1.0	-41.20	371.77	7.16	-34.04
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)S(C)(=O)=O	REAL300020181947	0	38	-1.0	-56.72	297.62	0.05	-56.67
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)S(C)(=O)=O	REAL300020181947	1	38	-1.0	-56.77	297.68	0.06	-56.71
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O=C(C1=CC=CC=C1OC1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181948	1	47	-1.0	-48.07	364.20	6.99	-41.08
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O=C(CN1C(=O)CCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181949	1	44	-1.0	-50.93	350.02	6.04	-44.89
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N#CC1=CC=CC(OCCCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020181951	0	47	-1.0	-45.57	388.37	7.02	-38.55
N#CC1=CC=CC(OCCCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020181951	1	47	-1.0	-45.63	388.42	7.03	-38.60
COC1=CC=C(C(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020181952	0	43	-1.0	-43.41	337.85	5.12	-38.29
COC1=CC=C(C(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020181952	1	43	-1.0	-43.41	337.91	5.13	-38.28
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CC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(C)C)=N1	REAL300020181953	1	43	-1.0	-41.63	342.10	4.31	-37.32
CC(C)COC1=CC=C(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020181954	0	55	-1.0	-44.00	405.17	7.63	-36.37
CC(C)COC1=CC=C(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020181954	1	55	-1.0	-43.99	405.23	7.64	-36.35
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020181955	0	50	0.0	-58.52	378.22	4.55	-53.97
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020181955	1	50	0.0	-64.11	381.27	4.50	-59.61
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020181955	1	50	0.0	-58.52	378.28	4.56	-53.96
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020181955	1	50	0.0	-64.15	381.33	4.51	-59.64
CC1=CC=C(NC(=O)N(C)C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020181956	0	48	-1.0	-45.34	380.45	5.09	-40.25
CC1=CC=C(NC(=O)N(C)C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020181956	1	48	-1.0	-45.36	380.51	5.11	-40.25
CCC(SC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181957	0	43	-1.0	-42.56	349.41	7.04	-35.52
CCC(SC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181957	1	43	-1.0	-42.53	349.47	7.05	-35.48
CN(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020181958	0	40	-1.0	-44.27	320.10	4.18	-40.09
CN(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020181958	1	40	-1.0	-44.23	320.04	4.17	-40.06
CS(=O)(=O)NC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181959	0	44	-1.0	-46.62	364.56	2.25	-44.37
CS(=O)(=O)NC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181959	1	44	-1.0	-46.63	364.62	2.26	-44.37
O=C(CC1=NOC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181960	0	42	-1.0	-51.06	348.90	6.59	-44.47
O=C(CC1=NOC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181960	1	42	-1.0	-51.04	348.84	6.58	-44.46
O=C(C1=CSC(I)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181961	0	30	-1.0	-40.66	287.59	4.56	-36.10
O=C(C1=CSC(I)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181961	1	30	-1.0	-40.67	287.65	4.58	-36.09
O=C(C1=CC(F)=CC=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181962	0	46	-1.0	-42.99	361.55	4.25	-38.74
O=C(C1=CC(F)=CC=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181962	1	46	-1.0	-42.99	361.61	4.26	-38.73
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C)=C1	REAL300020181963	0	37	-1.0	-47.09	312.06	3.57	-43.52
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C)=C1	REAL300020181963	1	37	-1.0	-47.13	312.11	3.58	-43.55
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCN(C(=O)C2=CC=CC=C2)C1	REAL300020181964	0	53	-1.0	-51.91	389.39	6.69	-45.22
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCN(C(=O)C2=CC=CC=C2)C1	REAL300020181964	1	53	-1.0	-51.89	389.45	6.70	-45.19
CC1=CC=C(C2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N=CO2)C=C1	REAL300020181965	0	42	-1.0	-47.64	351.48	3.60	-44.04
CC1=CC=C(C2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)N=CO2)C=C1	REAL300020181965	1	42	-1.0	-47.64	351.42	3.59	-44.05
O=C(C1CC12CCOC1=CC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181966	0	45	-1.0	-45.45	347.52	6.14	-39.31
O=C(C1CC12CCOC1=CC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181966	1	45	-1.0	-45.44	347.58	6.16	-39.28
O=C(C1=CN(C2CCCCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181967	0	46	-1.0	-42.98	355.05	5.44	-37.54
O=C(C1=CN(C2CCCCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181967	1	46	-1.0	-43.00	354.99	5.42	-37.58
CNC(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020181968	0	40	-1.0	-55.24	325.18	2.67	-52.57
CNC(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020181968	1	40	-1.0	-55.28	325.24	2.69	-52.59
CC1=CC=CC(Cl)=C1OCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181969	0	40	-1.0	-46.73	341.28	6.65	-40.08
CC1=CC=CC(Cl)=C1OCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181969	1	40	-1.0	-46.78	341.34	6.66	-40.12
CC1=C(C)N(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)S1	REAL300020181970	0	42	-1.0	-44.43	346.80	4.64	-39.79
CC1=C(C)N(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)S1	REAL300020181970	1	42	-1.0	-44.45	346.85	4.66	-39.79
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=CC(F)=C2)CC1	REAL300020181971	0	40	-1.0	-48.55	325.73	6.38	-42.17
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=CC(F)=C2)CC1	REAL300020181971	1	40	-1.0	-48.57	325.79	6.40	-42.17
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=NN1CC	REAL300020181972	0	41	-1.0	-44.74	328.21	3.45	-41.29
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=NN1CC	REAL300020181972	1	41	-1.0	-44.74	328.27	3.47	-41.27
O=C(C1CC1C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181973	0	40	-1.0	-42.22	355.33	7.77	-34.45
O=C(C1CC1C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181973	1	40	-1.0	-42.20	355.39	7.79	-34.41
CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020181974	0	49	-1.0	-48.23	400.22	6.00	-42.23
CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020181974	1	49	-1.0	-48.30	400.28	6.01	-42.29
N#CC1=CC=CC(OCC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=C1	REAL300020181975	0	48	-1.0	-47.90	402.61	8.10	-39.80
N#CC1=CC=CC(OCC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=C1	REAL300020181975	1	48	-1.0	-47.90	402.67	8.12	-39.78
O=C(CCC1=CC(Cl)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181976	0	36	-1.0	-41.41	323.20	5.87	-35.54
O=C(CCC1=CC(Cl)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181976	1	36	-1.0	-41.41	323.26	5.89	-35.52
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020181977	0	52	-1.0	-46.19	404.71	6.76	-39.43
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020181977	1	52	-1.0	-46.20	404.77	6.77	-39.43
CC(C)=CCOC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020181978	0	47	-1.0	-46.77	371.87	6.63	-40.14
CC(C)=CCOC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020181978	1	47	-1.0	-46.74	371.93	6.65	-40.09
O=C(C1=CC=CC(OC2=NC=CS2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181979	0	40	-1.0	-44.98	345.06	3.17	-41.81
O=C(C1=CC=CC(OC2=NC=CS2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181979	1	40	-1.0	-44.96	345.01	3.16	-41.80
O=C(C1=CC=CC(OC2=CN=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181980	0	42	-1.0	-49.29	349.78	2.88	-46.41
O=C(C1=CC=CC(OC2=CN=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020181980	1	42	-1.0	-49.33	349.73	2.87	-46.46
O=C(C1=CC=CN=C1SCC1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020181981	0	52	-1.0	-47.04	409.65	8.03	-39.01
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CC(C)NC1=NC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182131	1	43	-1.0	-43.48	341.65	4.46	-39.02
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CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(Cl)=C1	REAL300020182181	1	39	-1.0	-43.21	324.22	6.29	-36.92
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CC1=CC=CC(C2=NNC(=S)N2CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182342	0	49	-1.0	-43.62	405.06	8.39	-35.23
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182342	1	49	-1.0	-43.59	405.11	8.40	-35.19
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182342	1	48	-2.0	-88.34	401.64	8.23	-80.11
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182342	1	48	-2.0	-88.34	401.70	8.24	-80.10
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CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020182348	0	50	-1.0	-43.83	385.57	4.62	-39.21
CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020182348	1	50	-1.0	-43.84	385.62	4.63	-39.21
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CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)S1	REAL300020182350	0	36	-1.0	-42.63	318.15	5.63	-37.00
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)S1	REAL300020182350	1	36	-1.0	-42.61	318.20	5.65	-36.96
CC1=NC(CCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020182351	0	41	-1.0	-46.48	343.85	4.77	-41.71
CC1=NC(CCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020182351	1	41	-1.0	-46.49	343.91	4.78	-41.71
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=NN1	REAL300020182352	0	36	-1.0	-41.43	317.06	2.64	-38.79
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=NN1	REAL300020182352	1	36	-1.0	-41.48	317.12	2.66	-38.82
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CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182353	1	53	-1.0	-42.82	398.45	6.87	-35.95
O=C(CC=CC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182354	0	40	-1.0	-43.65	332.16	6.84	-36.81
O=C(CC=CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182354	1	40	-1.0	-43.66	332.21	6.86	-36.80
CCC1=CC=C(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020182355	0	48	-1.0	-43.64	353.24	7.53	-36.11
CCC1=CC=C(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020182355	1	48	-1.0	-43.66	353.30	7.54	-36.12
CC1=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C(C3CC3)N=C2C(C)=C1	REAL300020182356	0	51	-1.0	-45.24	400.08	8.28	-36.96
CC1=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C(C3CC3)N=C2C(C)=C1	REAL300020182356	1	51	-1.0	-45.22	400.13	8.30	-36.92
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C2C=NN(C)C2=N1	REAL300020182357	0	41	-1.0	-46.55	336.62	4.16	-42.39
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C2C=NN(C)C2=N1	REAL300020182357	1	41	-1.0	-46.55	336.68	4.18	-42.37
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020182358	0	41	-1.0	-49.98	344.21	0.39	-49.59
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020182358	1	41	-1.0	-50.04	344.27	0.41	-49.63
O=C(C1CC(OCC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182359	0	47	-1.0	-41.76	375.55	6.69	-35.07
O=C(C1CC(OCC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182359	1	47	-1.0	-41.77	375.60	6.70	-35.07
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182360	0	55	-1.0	-42.97	421.41	10.73	-32.24
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182360	1	55	-1.0	-42.96	421.47	10.75	-32.21
CCC(OC1=CC=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182361	0	43	-1.0	-48.29	338.08	6.31	-41.98
CCC(OC1=CC=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182361	1	43	-1.0	-48.31	338.13	6.32	-41.99
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300020182362	0	39	-1.0	-43.13	339.35	6.73	-36.40
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300020182362	1	39	-1.0	-43.18	339.40	6.75	-36.43
O=C(C1=CC=C(N2C=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182363	0	40	-1.0	-43.15	328.51	6.45	-36.70
O=C(C1=CC=C(N2C=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182363	1	40	-1.0	-43.18	328.46	6.44	-36.74
CC1=CC(CCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)S1	REAL300020182364	0	45	-1.0	-43.97	367.33	7.45	-36.52
CC1=CC(CCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)S1	REAL300020182364	1	45	-1.0	-43.96	367.39	7.46	-36.50
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(S(=O)(=O)N(C)C)O1	REAL300020182365	0	44	-1.0	-45.06	371.71	1.39	-43.67
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(S(=O)(=O)N(C)C)O1	REAL300020182365	1	44	-1.0	-45.08	371.76	1.40	-43.68
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300020182366	0	45	-1.0	-43.85	354.24	8.08	-35.77
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300020182366	1	45	-1.0	-43.84	354.30	8.09	-35.75
O=C(C1=CC2=CC=CC(Cl)=C2O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182367	0	36	-1.0	-43.02	315.21	5.69	-37.33
O=C(C1=CC2=CC=CC(Cl)=C2O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182367	1	36	-1.0	-43.05	315.27	5.70	-37.35
O=C(C1=NC=CC=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182368	0	39	-1.0	-52.10	333.32	5.46	-46.64
O=C(C1=NC=CC=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182368	1	39	-1.0	-52.07	333.26	5.45	-46.62
CCC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300020182369	0	45	-1.0	-42.34	368.56	7.49	-34.85
CCC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300020182369	1	45	-1.0	-42.31	368.62	7.50	-34.81
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020182370	0	53	-1.0	-42.95	392.73	4.70	-38.25
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020182370	1	53	-1.0	-42.96	392.79	4.71	-38.25
CCC(C)OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020182371	0	46	-1.0	-43.14	358.27	6.10	-37.04
CCC(C)OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020182371	1	46	-1.0	-43.17	358.33	6.12	-37.05
CN1N=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN=C21	REAL300020182372	0	38	-1.0	-45.91	314.98	3.61	-42.30
CN1N=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN=C21	REAL300020182372	1	38	-1.0	-45.93	314.92	3.60	-42.33
COC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020182373	0	38	-1.0	-48.52	321.18	3.29	-45.23
COC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020182373	1	38	-1.0	-48.55	321.12	3.28	-45.27
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020182374	0	43	-2.0	-98.48	367.21	4.67	-93.81
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020182374	1	43	-2.0	-98.48	367.27	4.69	-93.79
O=C(CCOC1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182375	0	44	-1.0	-42.33	343.26	2.78	-39.55
O=C(CCOC1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182375	1	44	-1.0	-42.32	343.32	2.80	-39.52
CC1=CC(O)=CC(=O)N1CCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182376	0	43	-1.0	-48.17	346.10	2.09	-46.08
CC1=CC(O)=CC(=O)N1CCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182376	1	43	-1.0	-48.14	346.16	2.11	-46.03
CC1=CC(O)=CC(=O)N1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182377	0	40	-1.0	-57.81	326.35	1.58	-56.23
CC1=CC(O)=CC(=O)N1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182377	1	40	-1.0	-57.81	326.41	1.59	-56.22
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020182378	0	45	-1.0	-52.01	369.06	3.34	-48.67
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020182378	1	45	-1.0	-52.03	369.12	3.36	-48.67
CC1=CC(F)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1[N+](=O)[O-]	REAL300020182379	0	38	-1.0	-50.04	327.16	6.15	-43.89
CC1=CC(F)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1[N+](=O)[O-]	REAL300020182379	1	38	-1.0	-50.05	327.22	6.17	-43.88
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)C1=CNC(=O)NC1=O	REAL300020182380	0	36	-1.0	-47.39	309.12	-0.41	-47.80
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=CNC(=O)NC1=O	REAL300020182380	1	36	-1.0	-47.40	309.18	-0.40	-47.80
COC1=CC=CC(C(C)CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182381	0	46	-1.0	-44.61	358.99	5.98	-38.63
COC1=CC=CC(C(C)CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182381	1	46	-1.0	-44.61	359.05	5.99	-38.62
CC(=CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1OC(F)F	REAL300020182382	0	44	-1.0	-44.42	362.30	6.34	-38.08
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CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)O1	REAL300020182386	0	41	-1.0	-45.53	352.80	-0.43	-45.96
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CCC(OC1=CC=CC=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182403	0	43	-1.0	-46.44	347.88	6.77	-39.67
CCC(OC1=CC=CC=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182403	1	43	-1.0	-46.42	347.94	6.79	-39.63
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COCCOC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182406	0	44	-1.0	-47.38	371.68	4.78	-42.60
COCCOC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182406	1	44	-1.0	-47.38	371.74	4.80	-42.58
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC2=CC=CC=C2O1	REAL300020182407	0	42	-1.0	-48.57	341.70	7.13	-41.44
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC2=CC=CC=C2O1	REAL300020182407	1	42	-1.0	-48.57	341.76	7.14	-41.43
CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020182408	0	58	-1.0	-45.86	434.70	4.11	-41.75
CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020182408	1	58	-1.0	-45.85	434.76	4.13	-41.72
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020182408	1	59	0.0	-73.27	437.05	6.31	-66.96
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020182408	1	59	0.0	-73.29	437.10	6.33	-66.96
NC(=O)C1=CC=CC(OCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182409	0	44	-1.0	-49.18	359.06	1.86	-47.32
NC(=O)C1=CC=CC(OCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182409	1	44	-1.0	-49.20	359.11	1.87	-47.33
O=C(C1=CC=C(CS(=O)(=O)C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182410	0	42	-1.0	-50.73	368.60	3.06	-47.67
O=C(C1=CC=C(CS(=O)(=O)C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182410	1	42	-1.0	-50.77	368.65	3.08	-47.69
CN1C(=O)NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020182411	0	36	-1.0	-46.70	303.10	1.03	-45.67
CN1C(=O)NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020182411	1	36	-1.0	-46.73	303.16	1.04	-45.69
CC1=CC=C(OCCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020182412	0	49	-1.0	-45.96	384.42	7.05	-38.91
CC1=CC=C(OCCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020182412	1	49	-1.0	-46.00	384.48	7.07	-38.93
CC(C)C1=NN(C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182413	0	42	-1.0	-42.09	329.12	4.05	-38.04
CC(C)C1=NN(C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182413	1	42	-1.0	-42.14	329.17	4.06	-38.08
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C(C2=CN(C)N=C2)O1	REAL300020182414	0	42	-1.0	-47.21	348.87	2.67	-44.54
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C(C2=CN(C)N=C2)O1	REAL300020182414	1	42	-1.0	-47.22	348.82	2.65	-44.57
CC(C)C1=NN=C(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020182415	0	43	-1.0	-45.83	350.47	0.54	-45.29
CC(C)C1=NN=C(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020182415	1	43	-1.0	-45.82	350.53	0.55	-45.27
CC(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C	REAL300020182416	0	42	-1.0	-45.70	332.24	4.57	-41.13
CC(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C	REAL300020182416	1	42	-1.0	-45.70	332.29	4.59	-41.11
COCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020182417	0	47	-1.0	-44.81	376.98	4.56	-40.25
COCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020182417	1	47	-1.0	-44.83	377.04	4.57	-40.26
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(CC2=CC=CC=C2)CC1	REAL300020182418	0	43	-1.0	-45.01	338.03	6.97	-38.04
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(CC2=CC=CC=C2)CC1	REAL300020182418	1	43	-1.0	-45.00	338.08	6.99	-38.01
O=C(C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182419	0	46	-1.0	-49.31	383.51	6.75	-42.56
O=C(C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182419	1	46	-1.0	-49.35	383.57	6.77	-42.58
CC(CS(C)(=O)=O)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182420	0	38	-1.0	-47.57	311.61	0.62	-46.95
CC(CS(C)(=O)=O)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182420	1	38	-1.0	-47.58	311.67	0.64	-46.94
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300020182421	0	53	-1.0	-44.79	378.36	9.05	-35.74
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300020182421	1	53	-1.0	-44.77	378.42	9.07	-35.70
O=C(C1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182422	0	44	-1.0	-45.24	373.96	7.80	-37.44
O=C(C1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182422	1	44	-1.0	-45.27	374.02	7.82	-37.45
CC(=O)N1CCC(C)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020182423	0	43	-1.0	-54.61	324.93	2.93	-51.68
CC(=O)N1CCC(C)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020182423	1	43	-1.0	-54.62	324.98	2.94	-51.68
N#CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020182424	0	45	-1.0	-48.29	386.15	8.60	-39.69
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CSCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020182425	0	40	-1.0	-42.60	341.33	6.34	-36.26
CSCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020182425	1	40	-1.0	-42.62	341.38	6.35	-36.27
O=C(C1=CC=CC(Cl)=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020182426	0	35	-1.0	-55.84	312.85	6.20	-49.64
O=C(C1=CC=CC(Cl)=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020182426	1	35	-1.0	-55.91	312.91	6.22	-49.69
O=C(CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1)NC1CCCCC1	REAL300020182427	0	53	-1.0	-52.10	415.93	4.35	-47.75
O=C(CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1)NC1CCCCC1	REAL300020182427	1	53	-1.0	-52.14	415.87	4.33	-47.81
COC1=CC=C(C(C)CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020182428	0	46	-1.0	-42.45	359.01	6.00	-36.45
COC1=CC=C(C(C)CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020182428	1	46	-1.0	-42.44	359.06	6.02	-36.42
CCSC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182429	0	40	-1.0	-43.95	346.79	6.77	-37.18
CCSC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182429	1	40	-1.0	-43.93	346.85	6.78	-37.15
N#CCSC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182430	0	38	-1.0	-51.50	329.72	5.99	-45.51
N#CCSC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182430	1	38	-1.0	-51.50	329.78	6.01	-45.49
CCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020182431	0	41	-1.0	-49.41	330.52	6.21	-43.20
CCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020182431	1	41	-1.0	-49.38	330.58	6.23	-43.15
O=C(C1=NC2=CC(Cl)=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182432	0	38	-1.0	-44.35	327.44	6.17	-38.18
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CS(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183551	0	41	-1.0	-53.35	342.42	3.91	-49.44
CS(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183551	1	41	-1.0	-53.37	342.48	3.93	-49.44
CSC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1[N+](=O)[O-]	REAL300020183552	0	39	-1.0	-59.02	339.31	6.34	-52.68
CSC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1[N+](=O)[O-]	REAL300020183552	1	39	-1.0	-59.00	339.37	6.35	-52.65
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CC(=O)CCC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020183553	1	48	-1.0	-48.70	391.27	7.52	-41.18
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COC1=CC=C(OC)C(NC(=O)C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183554	1	45	-1.0	-44.30	361.86	1.51	-42.79
O=C(C1=CC=C(C(F)(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183555	0	36	-1.0	-43.48	313.28	5.45	-38.03
O=C(C1=CC=C(C(F)(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183555	1	36	-1.0	-43.49	313.34	5.47	-38.02
CC(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020183556	0	44	-1.0	-48.24	351.82	6.82	-41.42
CC(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020183556	1	44	-1.0	-48.27	351.88	6.84	-41.43
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O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(CC2=CC=CC=C2Cl)CC1	REAL300020183557	1	43	-1.0	-42.73	344.42	6.97	-35.76
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CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020183560	0	51	-1.0	-45.26	388.00	4.24	-41.02
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020183560	1	51	-1.0	-45.27	388.06	4.25	-41.02
O=C(CC1=CC2=NNC=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183561	0	39	-1.0	-50.21	320.96	4.16	-46.05
O=C(CC1=CC2=NNC=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183561	1	39	-1.0	-50.22	321.02	4.17	-46.05
CC(O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183562	0	52	-1.0	-44.64	399.31	0.43	-44.21
CC(O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183562	1	52	-1.0	-44.65	399.36	0.45	-44.20
O=C(C1COCCN1C1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183563	0	49	-1.0	-40.81	354.22	2.51	-38.30
O=C(C1COCCN1C1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183563	1	49	-1.0	-40.83	354.28	2.53	-38.30
O=C(C1=CSC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183564	0	32	-1.0	-43.21	295.26	3.35	-39.86
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CC1=NC(C#N)=C(N2CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2)O1	REAL300020183565	0	48	-1.0	-49.40	384.41	1.19	-48.21
CC1=NC(C#N)=C(N2CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2)O1	REAL300020183565	1	48	-1.0	-49.37	384.46	1.21	-48.16
CN(C)C1=CC=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020183566	0	47	-1.0	-42.85	367.21	6.65	-36.20
CN(C)C1=CC=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183566	1	47	-1.0	-42.93	367.27	6.67	-36.26
CN1N=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183567	0	35	-1.0	-41.99	297.44	3.89	-38.10
CN1N=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183567	1	35	-1.0	-41.94	297.38	3.87	-38.07
COC1=NC(C)=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183568	0	39	-1.0	-44.06	336.57	2.60	-41.46
COC1=NC(C)=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183568	1	39	-1.0	-44.11	336.63	2.61	-41.50
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183569	0	49	-1.0	-42.20	371.14	2.72	-39.48
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183569	1	49	-1.0	-42.24	371.20	2.73	-39.51
COCCOC1=CC=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020183570	0	48	-1.0	-47.11	388.45	5.43	-41.68
COCCOC1=CC=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183570	1	48	-1.0	-47.13	388.51	5.45	-41.68
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183571	0	43	-1.0	-44.27	356.59	6.72	-37.55
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183571	1	43	-1.0	-44.30	356.65	6.74	-37.56
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CN(C)C2=CC=CC=C12	REAL300020183572	0	46	-1.0	-45.09	365.26	7.60	-37.49
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CN(C)C2=CC=CC=C12	REAL300020183572	1	46	-1.0	-45.10	365.31	7.62	-37.48
COC1=CC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020183573	0	40	-1.0	-41.87	334.38	4.97	-36.90
COC1=CC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020183573	1	40	-1.0	-41.86	334.43	4.99	-36.87
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020183574	0	46	-1.0	-45.06	358.96	6.56	-38.50
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020183574	1	46	-1.0	-45.01	359.02	6.57	-38.44
CCCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020183575	0	45	-1.0	-46.48	358.78	5.21	-41.27
CCCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020183575	1	45	-1.0	-46.54	358.84	5.22	-41.32
CN1N=C2C=CC=CC2=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183576	0	39	-1.0	-45.09	322.73	4.53	-40.56
CN1N=C2C=CC=CC2=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183576	1	39	-1.0	-45.12	322.67	4.52	-40.60
CC1=COC(C2=CC=CC=C2)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183577	0	43	-1.0	-45.02	352.60	7.04	-37.98
CC1=COC(C2=CC=CC=C2)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183577	1	43	-1.0	-45.03	352.66	7.06	-37.97
CCOC1=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CNC2=CC=C1	REAL300020183578	0	47	-1.0	-47.22	376.57	5.76	-41.46
CCOC1=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CNC2=CC=C1	REAL300020183578	1	47	-1.0	-47.23	376.62	5.78	-41.45
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)OC(CC2CC2)=N1	REAL300020183579	0	42	-1.0	-40.53	338.99	3.11	-37.42
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)OC(CC2CC2)=N1	REAL300020183579	1	42	-1.0	-40.59	339.05	3.12	-37.47
O=C(C1=CNC(=O)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183580	0	35	-1.0	-50.40	299.95	2.97	-47.43
O=C(C1=CNC(=O)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183580	1	35	-1.0	-50.40	300.00	2.99	-47.41
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183580	1	34	-2.0	-82.25	301.90	1.98	-80.27
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183580	1	34	-2.0	-82.22	301.96	1.99	-80.23
CC(C)(C)C1=CN=C(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020183581	0	47	-1.0	-44.13	374.58	3.73	-40.40
CC(C)(C)C1=CN=C(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020183581	1	47	-1.0	-44.15	374.64	3.74	-40.41
O=C(CC1=CC=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183582	0	36	-1.0	-41.75	319.28	6.03	-35.72
O=C(CC1=CC=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183582	1	36	-1.0	-41.73	319.34	6.05	-35.68
O=C(C1=NNC2=C1CCCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183583	0	43	-1.0	-45.13	324.13	4.32	-40.81
O=C(C1=NNC2=C1CCCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183583	1	43	-1.0	-45.14	324.19	4.33	-40.81
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(CC2CC2)=N1	REAL300020183584	0	42	-1.0	-42.17	349.57	5.26	-36.91
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(CC2CC2)=N1	REAL300020183584	1	42	-1.0	-42.20	349.63	5.28	-36.92
CC1=C(C)C=C2C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=COC2=C1	REAL300020183585	0	42	-1.0	-47.46	337.46	6.16	-41.30
CC1=C(C)C=C2C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=COC2=C1	REAL300020183585	1	42	-1.0	-47.52	337.52	6.17	-41.35
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC(C(F)(F)F)=N1	REAL300020183586	0	37	-1.0	-41.22	322.14	4.25	-36.97
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC(C(F)(F)F)=N1	REAL300020183586	1	37	-1.0	-41.25	322.19	4.27	-36.98
COCC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020183587	0	43	-1.0	-44.81	349.76	5.18	-39.63
COCC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183587	1	43	-1.0	-44.81	349.82	5.20	-39.61
C=CCC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020183588	0	43	-1.0	-42.42	342.92	7.04	-35.38
C=CCC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020183588	1	43	-1.0	-42.45	342.98	7.06	-35.39
COCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020183589	0	44	-1.0	-46.08	370.32	4.46	-41.62
COCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020183589	1	44	-1.0	-46.13	370.38	4.47	-41.66
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183590	0	45	-1.0	-45.62	376.33	8.04	-37.58
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183590	1	45	-1.0	-45.63	376.39	8.06	-37.57
O=C(C1=CN2C=C(C(F)(F)F)N=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183591	0	39	-1.0	-44.74	342.21	6.11	-38.63
O=C(C1=CN2C=C(C(F)(F)F)N=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183591	1	39	-1.0	-44.76	342.15	6.10	-38.66
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C2=CC=CC=C2C)=N1	REAL300020183592	0	45	-1.0	-42.81	369.85	7.19	-35.62
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C2=CC=CC=C2C)=N1	REAL300020183592	1	45	-1.0	-42.84	369.91	7.20	-35.64
COC1=NC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020183593	0	39	-1.0	-46.35	325.43	0.68	-45.67
COC1=NC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020183593	1	39	-1.0	-46.31	325.49	0.69	-45.62
CCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020183594	0	46	-1.0	-43.90	379.69	6.77	-37.13
CCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020183594	1	46	-1.0	-43.93	379.75	6.78	-37.15
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020183595	0	45	-1.0	-52.53	369.62	3.44	-49.09
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183595	1	45	-1.0	-52.57	369.68	3.46	-49.11
O=C(CCC1=CC=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183596	0	42	-1.0	-46.49	342.13	4.91	-41.58
O=C(CCC1=CC=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183596	1	42	-1.0	-46.53	342.19	4.92	-41.61
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020183597	0	43	-1.0	-47.49	360.33	0.40	-47.09
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020183597	1	43	-1.0	-47.44	360.27	0.38	-47.06
CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020183598	0	40	-1.0	-47.88	341.34	-1.43	-49.31
CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020183598	1	40	-1.0	-47.81	341.28	-1.45	-49.26
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C(F)(F)F)O1	REAL300020183599	0	36	-1.0	-45.67	311.13	4.49	-41.18
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C(F)(F)F)O1	REAL300020183599	1	36	-1.0	-45.65	311.19	4.51	-41.14
CCSCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020183600	0	39	-1.0	-42.68	334.04	5.25	-37.43
CCSCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020183600	1	39	-1.0	-42.69	334.09	5.27	-37.42
CC(C)(C)OC(=O)N1CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C1	REAL300020183601	0	54	-1.0	-47.74	420.09	6.72	-41.02
CC(C)(C)OC(=O)N1CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C1	REAL300020183601	1	54	-1.0	-47.73	420.15	6.74	-40.99
O=C(C1=CN=C(C(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183602	0	34	-1.0	-41.50	299.41	2.74	-38.76
O=C(C1=CN=C(C(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183602	1	34	-1.0	-41.48	299.35	2.72	-38.76
CN(C)C1=NOC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020183603	0	42	-1.0	-45.17	344.22	4.06	-41.11
CN(C)C1=NOC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020183603	1	42	-1.0	-45.21	344.28	4.07	-41.14
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(CC2=CC=CC(F)=C2)CCC1	REAL300020183604	0	46	-1.0	-49.50	353.79	7.28	-42.22
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(CC2=CC=CC(F)=C2)CCC1	REAL300020183604	1	46	-1.0	-49.48	353.81	7.30	-42.18
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=C(OC)C=C1	REAL300020183605	0	50	-1.0	-44.90	398.24	6.05	-38.85
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=C(OC)C=C1	REAL300020183605	1	50	-1.0	-44.94	398.29	6.07	-38.87
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC=C1C	REAL300020183606	0	49	-1.0	-44.45	388.37	7.69	-36.76
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC=C1C	REAL300020183606	1	49	-1.0	-44.40	388.42	7.71	-36.69
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300020183607	0	46	-1.0	-43.02	385.47	7.27	-35.75
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300020183607	1	46	-1.0	-43.05	385.53	7.29	-35.76
CC(C)(C)OCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020183608	0	45	-1.0	-42.12	357.38	4.28	-37.84
CC(C)(C)OCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020183608	1	45	-1.0	-42.14	357.44	4.30	-37.84
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(CCOCC2=CC=CC=C2)CC1	REAL300020183609	0	50	-1.0	-45.12	398.99	7.27	-37.85
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(CCOCC2=CC=CC=C2)CC1	REAL300020183609	1	50	-1.0	-45.13	399.05	7.29	-37.84
C[C@H](OCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183610	0	43	-1.0	-46.12	345.42	6.34	-39.78
C[C@H](OCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183610	1	43	-1.0	-46.18	345.48	6.35	-39.83
CC(C)(C)OC(=O)N1CCCCCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183611	0	56	-1.0	-49.87	401.47	7.11	-42.76
CC(C)(C)OC(=O)N1CCCCCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183611	1	56	-1.0	-49.83	401.52	7.12	-42.71
O=C(C1=CC=C(C2=CN=CN=C2)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183612	0	41	-1.0	-49.38	340.89	5.98	-43.40
O=C(C1=CC=C(C2=CN=CN=C2)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183612	1	41	-1.0	-49.38	340.83	5.96	-43.42
O=C(C1=CC(=O)NC(C2CC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183613	0	40	-1.0	-48.48	328.76	3.74	-44.74
O=C(C1=CC(=O)NC(C2CC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183613	1	40	-1.0	-48.49	328.82	3.75	-44.74
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(Cl)=N1	REAL300020183614	0	35	-1.0	-41.09	303.32	3.69	-37.40
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(Cl)=N1	REAL300020183614	1	35	-1.0	-41.09	303.37	3.71	-37.38
O=C(C1CCCN1C(=O)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183615	0	40	-1.0	-45.75	331.15	3.43	-42.32
O=C(C1CCCN1C(=O)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183615	1	40	-1.0	-45.77	331.22	3.44	-42.33
O=C(C1CC12CCS(=O)(=O)CC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183616	0	43	-1.0	-53.54	344.45	2.27	-51.27
O=C(C1CC12CCS(=O)(=O)CC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183616	1	43	-1.0	-53.55	344.51	2.29	-51.26
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020183617	0	37	-1.0	-50.25	320.61	-2.48	-52.73
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020183617	1	37	-1.0	-50.27	320.56	-2.50	-52.77
O=C(C1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)NC=N1)C1=CC=CC=C1	REAL300020183618	0	42	-1.0	-47.51	351.45	6.06	-41.45
O=C(C1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)NC=N1)C1=CC=CC=C1	REAL300020183618	1	42	-1.0	-47.55	351.50	6.08	-41.47
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CN(C(=O)OC(C)(C)C)C1	REAL300020183619	0	53	-1.0	-47.64	408.18	5.21	-42.43
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CN(C(=O)OC(C)(C)C)C1	REAL300020183619	1	53	-1.0	-47.66	408.23	5.22	-42.44
CC1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020183620	0	56	-1.0	-42.11	412.35	6.24	-35.87
CC1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020183620	1	56	-1.0	-42.13	412.42	6.25	-35.88
O=C(CC1=CC=CC=C1CO)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183621	0	40	-1.0	-45.53	321.67	2.82	-42.71
O=C(CC1=CC=CC=C1CO)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183621	1	40	-1.0	-45.50	321.72	2.83	-42.67
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183622	0	49	-1.0	-43.50	390.32	9.68	-33.82
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183622	1	49	-1.0	-43.50	390.37	9.70	-33.80
COC1=CC=C(CN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)C=C1OC	REAL300020183623	0	51	-1.0	-48.23	413.44	5.28	-42.95
COC1=CC=C(CN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)C=C1OC	REAL300020183623	1	51	-1.0	-48.24	413.38	5.26	-42.98
CC1=CC=C(C2=CNC=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020183624	0	41	-1.0	-52.15	349.82	5.94	-46.21
CC1=CC=C(C2=CNC=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020183624	1	41	-1.0	-52.12	349.88	5.96	-46.16
CCN1C=C(C2=NNC=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020183625	0	43	-1.0	-47.80	356.75	3.21	-44.59
CCN1C=C(C2=NNC=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020183625	1	43	-1.0	-47.80	356.80	3.23	-44.57
N#CC1=C(F)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183626	0	34	-1.0	-54.32	295.81	4.73	-49.59
N#CC1=C(F)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183626	1	34	-1.0	-54.32	295.87	4.74	-49.58
O=C(CCCCCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183627	0	48	-1.0	-44.32	386.96	8.67	-35.65
O=C(CCCCCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183627	1	48	-1.0	-44.31	387.02	8.68	-35.63
O=C(C1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183628	0	36	-1.0	-40.62	326.25	5.96	-34.66
O=C(C1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183628	1	36	-1.0	-40.63	326.31	5.98	-34.65
CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCC(C4=N[N-]N=N4)CC1)(C2)C3	REAL300020183629	0	56	-1.0	-40.97	385.90	7.53	-33.44
CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCC(C4=NN=N[N-]4)CC1)(C2)C3	REAL300020183629	1	56	-1.0	-40.97	385.96	7.54	-33.43
CC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=C1	REAL300020183630	0	42	-1.0	-41.47	353.61	7.36	-34.11
CC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Br)=C1	REAL300020183630	1	42	-1.0	-41.48	353.67	7.37	-34.11
O=C(C1=CN=C(CC2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183631	0	42	-1.0	-42.71	363.06	6.10	-36.61
O=C(C1=CN=C(CC2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183631	1	42	-1.0	-42.70	363.12	6.12	-36.58
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1Cl	REAL300020183632	0	41	-1.0	-46.84	348.03	4.05	-42.79
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1Cl	REAL300020183632	1	41	-1.0	-46.82	348.08	4.07	-42.75
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020183633	0	53	-1.0	-48.30	404.44	5.54	-42.76
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020183633	1	53	-1.0	-48.34	404.49	5.56	-42.78
O=C(C(O)CC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183634	0	43	-1.0	-44.81	360.39	4.90	-39.91
O=C(C(O)CC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183634	1	43	-1.0	-44.78	360.44	4.91	-39.87
CC(C)(C)C1=NN=C2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN21	REAL300020183635	0	47	-1.0	-45.50	372.04	6.97	-38.53
CC(C)(C)C1=NN=C2C=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN21	REAL300020183635	1	47	-1.0	-45.51	371.98	6.96	-38.55
CCCCOC1=CC(OC)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183636	0	50	-1.0	-47.87	394.86	5.88	-41.99
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CC1=C(F)C=CC(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183739	1	36	-1.0	-42.29	314.88	5.62	-36.67
CC(C)N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1N	REAL300020183740	0	41	-1.0	-44.28	326.59	2.73	-41.55
CC(C)N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1N	REAL300020183740	1	41	-1.0	-44.32	326.53	2.71	-41.61
CCOC(CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1N)OCC	REAL300020183741	0	52	-1.0	-44.22	413.06	2.82	-41.40
CCOC(CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1N)OCC	REAL300020183741	1	52	-1.0	-44.27	413.00	2.81	-41.46
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COC1=CC=C2OC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=C1	REAL300020183742	1	40	-1.0	-50.77	328.73	4.26	-46.51
CCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C2C(CC(C)(C)C)=NOC2=N1	REAL300020183743	0	55	-1.0	-44.16	412.48	5.60	-38.56
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CC(C)C(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300020183753	0	55	-1.0	-48.10	410.91	4.56	-43.54
CC(C)C(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC(=O)OC(C)(C)C	REAL300020183753	1	55	-1.0	-48.06	410.97	4.57	-43.49
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CC(C)[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183757	0	46	-1.0	-41.47	387.17	4.97	-36.50
CC(C)[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183757	1	46	-1.0	-41.53	387.23	4.98	-36.55
CN1C=C(OC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020183758	0	44	-1.0	-52.02	365.05	5.55	-46.47
CN1C=C(OC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020183758	1	44	-1.0	-52.08	364.99	5.53	-46.55
COC1=CC=CC=C1N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020183759	0	47	-1.0	-47.77	379.13	5.57	-42.20
COC1=CC=CC=C1N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020183759	1	47	-1.0	-47.80	379.19	5.59	-42.21
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183760	0	49	-1.0	-44.99	391.68	6.34	-38.65
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183760	1	49	-1.0	-44.97	391.74	6.36	-38.61
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CCC(C)CCC(O)CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183763	0	48	-1.0	-44.72	365.65	4.33	-40.39
CCC(C)CCC(O)CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183763	1	48	-1.0	-44.74	365.71	4.34	-40.40
NC1=C(F)C=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183764	0	35	-1.0	-39.69	305.07	3.12	-36.57
NC1=C(F)C=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183764	1	35	-1.0	-39.67	305.13	3.13	-36.54
CCC(O)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(Cl)=C1	REAL300020183765	0	43	-1.0	-42.38	345.32	4.05	-38.33
CCC(O)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(Cl)=C1	REAL300020183765	1	43	-1.0	-42.38	345.37	4.06	-38.32
CCC1=NC2=CC=CC=C2C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020183766	0	47	-1.0	-44.22	372.30	6.64	-37.58
CCC1=NC2=CC=CC=C2C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020183766	1	47	-1.0	-44.26	372.36	6.66	-37.60
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020183767	0	44	-1.0	-49.19	366.39	2.40	-46.79
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020183767	1	44	-1.0	-49.16	366.45	2.42	-46.74
O=C(C1=NN2C=CC(Cl)=CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183768	0	36	-1.0	-43.93	315.28	5.23	-38.70
O=C(C1=NN2C=CC(Cl)=CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183768	1	36	-1.0	-43.89	315.22	5.22	-38.67
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020183769	0	40	-1.0	-51.46	343.43	0.60	-50.86
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020183769	1	40	-1.0	-51.44	343.49	0.62	-50.82
O=C(C1=CC=C2NC(=O)NC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183770	0	36	-1.0	-45.34	300.48	1.32	-44.02
O=C(C1=CC=C2NC(=O)NC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183770	1	36	-1.0	-45.32	300.54	1.34	-43.98
CC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2CC2)=N1	REAL300020183771	0	41	-1.0	-42.07	331.02	4.64	-37.43
CC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2CC2)=N1	REAL300020183771	1	41	-1.0	-42.13	331.07	4.66	-37.47
CC1=CC=C2C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CSC2=C1	REAL300020183772	0	39	-1.0	-45.27	328.13	6.54	-38.73
CC1=CC=C2C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CSC2=C1	REAL300020183772	1	39	-1.0	-45.28	328.18	6.55	-38.73
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300020183773	0	42	-1.0	-41.38	369.02	6.99	-34.39
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300020183773	1	42	-1.0	-41.42	368.96	6.98	-34.44
O=C(CN1CCC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183774	0	44	-1.0	-48.62	353.76	5.86	-42.76
O=C(CN1CCC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183774	1	44	-1.0	-48.62	353.82	5.87	-42.75
CC1=C(Cl)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183775	0	36	-1.0	-42.89	303.32	5.46	-37.43
CC1=C(Cl)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183775	1	36	-1.0	-42.88	303.37	5.47	-37.41
CC1=CC(=O)N(CC(C)(O)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020183776	0	46	-1.0	-45.26	357.62	3.16	-42.10
CC1=CC(=O)N(CC(C)(O)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020183776	1	46	-1.0	-45.29	357.67	3.18	-42.11
CN(C)C1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020183777	0	43	-1.0	-43.82	356.48	5.80	-38.02
CN(C)C1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020183777	1	43	-1.0	-43.81	356.54	5.82	-37.99
NC1=NC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1[N+](=O)[O-]	REAL300020183778	0	36	-1.0	-51.98	309.23	2.41	-49.57
NC1=NC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1[N+](=O)[O-]	REAL300020183778	1	36	-1.0	-52.00	309.17	2.39	-49.61
O=C(C1=CC=CN1C1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183779	0	41	-1.0	-45.95	365.38	8.62	-37.33
O=C(C1=CC=CN1C1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183779	1	41	-1.0	-45.95	365.44	8.64	-37.31
O=C(C1CC[NH+](C2CC2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183780	0	46	0.0	-61.85	343.65	6.11	-55.74
O=C(C1CC[NH+](C2CC2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183780	1	46	0.0	-61.83	343.71	6.13	-55.70
CC(C)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020183781	0	43	-1.0	-44.32	340.76	3.82	-40.50
CC(C)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020183781	1	43	-1.0	-44.32	340.70	3.81	-40.51
O=C(C1=CC=C(OC(F)(F)Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183782	0	37	-1.0	-40.70	326.94	4.76	-35.94
O=C(C1=CC=C(OC(F)(F)Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183782	1	37	-1.0	-40.72	326.99	4.77	-35.95
CN1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2C1=O	REAL300020183783	0	44	-1.0	-50.08	348.92	5.00	-45.08
CN1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2C1=O	REAL300020183783	1	44	-1.0	-50.11	348.98	5.01	-45.10
O=C(C1=CC2=CC=CC=C2N1CC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183784	0	43	-1.0	-45.65	357.49	7.19	-38.46
O=C(C1=CC2=CC=CC=C2N1CC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183784	1	43	-1.0	-45.72	357.55	7.21	-38.51
O=C(C1=CNC=C1C1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183785	0	41	-1.0	-51.54	339.40	6.07	-45.47
O=C(C1=CNC=C1C1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183785	1	41	-1.0	-51.55	339.46	6.08	-45.47
CCCCCCCCCC(C)CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183786	0	59	-1.0	-41.22	441.59	9.94	-31.28
CCCCCCCCCC(C)CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183786	1	59	-1.0	-41.23	441.65	9.96	-31.27
CC(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CNC2=CC=CC=C12	REAL300020183787	0	46	-1.0	-46.60	364.11	6.84	-39.76
CC(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CNC2=CC=CC=C12	REAL300020183787	1	46	-1.0	-46.59	364.16	6.86	-39.73
N#CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020183788	0	34	-1.0	-42.81	296.67	4.85	-37.96
N#CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020183788	1	34	-1.0	-42.82	296.73	4.87	-37.95
O=C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183789	0	44	-1.0	-60.58	376.99	0.32	-60.26
O=C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183789	1	44	-1.0	-60.59	377.05	0.34	-60.25
O=C(C1=CC(O)=C2C=CSC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183790	0	37	-1.0	-44.11	318.32	2.95	-41.16
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O=C(C1=NC2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183791	0	34	-1.0	-47.62	297.67	2.02	-45.60
O=C(C1=NC2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183791	1	34	-1.0	-47.59	297.61	2.01	-45.58
NC1=C(Cl)C=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020183792	0	35	-1.0	-43.36	312.47	3.45	-39.91
NC1=C(Cl)C=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020183792	1	35	-1.0	-43.35	312.53	3.46	-39.89
O=C(C1=CC=C(NCC2CC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183793	0	44	-1.0	-43.19	351.52	4.56	-38.63
O=C(C1=CC=C(NCC2CC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183793	1	44	-1.0	-43.17	351.46	4.55	-38.62
CN1C=C2C(=N1)CCCC2C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183794	0	43	-1.0	-45.11	335.78	4.65	-40.46
CN1C=C2C(=N1)CCCC2C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183794	1	43	-1.0	-45.14	335.84	4.66	-40.48
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C2CC2)=N1	REAL300020183795	0	39	-1.0	-42.36	326.61	4.61	-37.75
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C2CC2)=N1	REAL300020183795	1	39	-1.0	-42.41	326.67	4.63	-37.78
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CN=CC(Br)=C2)CC1	REAL300020183796	0	39	-1.0	-43.92	335.31	5.12	-38.80
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CN=CC(Br)=C2)CC1	REAL300020183796	1	39	-1.0	-43.85	335.25	5.10	-38.75
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020183797	0	49	-1.0	-42.83	384.39	4.33	-38.50
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020183797	1	49	-1.0	-42.81	384.44	4.34	-38.47
O=C(CC1=C(Br)C(=O)NC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183798	0	36	-1.0	-50.08	316.59	2.88	-47.20
O=C(CC1=C(Br)C(=O)NC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183798	1	36	-1.0	-50.06	316.65	2.90	-47.16
COC1=CC=CC(C(C)CCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020183799	0	52	-1.0	-44.20	402.87	7.47	-36.73
COC1=CC=CC(C(C)CCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183799	1	52	-1.0	-44.21	402.93	7.48	-36.73
CC1=CC(F)=CC(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N=N2)=C1	REAL300020183800	0	42	-1.0	-43.11	352.36	5.48	-37.63
CC1=CC(F)=CC(N2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)N=N2)=C1	REAL300020183800	1	42	-1.0	-43.10	352.30	5.47	-37.63
CC1=NC2=C(CCCC2C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020183801	0	42	-1.0	-42.50	333.19	5.68	-36.82
CC1=NC2=C(CCCC2C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020183801	1	42	-1.0	-42.48	333.25	5.69	-36.79
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CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC2=CC(C)=C(C)C=C21	REAL300020183803	0	45	-1.0	-42.83	362.22	7.68	-35.15
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC2=CC(C)=C(C)C=C21	REAL300020183803	1	45	-1.0	-42.84	362.28	7.69	-35.15
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CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC(C)=C1	REAL300020183805	0	52	-1.0	-45.08	411.39	8.17	-36.91
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC(C)=C1	REAL300020183805	1	52	-1.0	-45.03	411.45	8.18	-36.85
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O=C(C1=CC=CC(C2CCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183808	1	43	-1.0	-43.91	335.09	6.99	-36.92
CSC1=C(F)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183809	0	37	-1.0	-46.47	315.75	5.51	-40.96
CSC1=C(F)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183809	1	37	-1.0	-46.49	315.81	5.52	-40.97
COC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020183810	0	39	-1.0	-49.19	317.74	3.12	-46.07
COC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020183810	1	39	-1.0	-49.20	317.80	3.13	-46.07
CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1CC1=CC=CC=C1	REAL300020183811	0	46	-1.0	-45.14	369.37	6.32	-38.82
CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1CC1=CC=CC=C1	REAL300020183811	1	46	-1.0	-45.18	369.42	6.34	-38.84
C[C@H](OC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183812	0	40	-1.0	-43.82	338.84	6.36	-37.46
C[C@H](OC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183812	1	40	-1.0	-43.79	338.89	6.38	-37.41
COC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CN(C)N=C1	REAL300020183813	0	40	-1.0	-49.44	325.22	3.00	-46.44
COC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CN(C)N=C1	REAL300020183813	1	40	-1.0	-49.41	325.16	2.98	-46.43
CC1=NOC(C)=C1C(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183814	0	44	-1.0	-43.30	329.18	4.45	-38.85
CC1=NOC(C)=C1C(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183814	1	44	-1.0	-43.30	329.24	4.47	-38.83
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CC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C	REAL300020183816	0	41	-1.0	-43.79	324.60	5.45	-38.34
CC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C	REAL300020183816	1	41	-1.0	-43.85	324.65	5.47	-38.38
COC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1O	REAL300020183817	0	45	-1.0	-48.65	364.18	2.46	-46.19
COC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1O	REAL300020183817	1	45	-1.0	-48.67	364.23	2.47	-46.20
O=C(C1=CC=NN1CC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183818	0	36	-1.0	-45.78	302.87	3.39	-42.39
O=C(C1=CC=NN1CC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183818	1	36	-1.0	-45.74	302.81	3.37	-42.37
O=C(C1CCC(C(F)(F)F)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183819	0	42	-1.0	-44.13	323.25	5.54	-38.59
O=C(C1CCC(C(F)(F)F)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183819	1	42	-1.0	-44.11	323.30	5.56	-38.55
CC(=O)NC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183820	0	43	-1.0	-47.53	347.58	4.54	-42.99
CC(=O)NC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183820	1	43	-1.0	-47.59	347.64	4.55	-43.04
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C1CC1	REAL300020183821	0	44	-1.0	-44.56	346.50	5.85	-38.71
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C1CC1	REAL300020183821	1	44	-1.0	-44.57	346.55	5.87	-38.70
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OCCO	REAL300020183822	0	45	-1.0	-49.10	361.81	1.49	-47.61
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OCCO	REAL300020183822	1	45	-1.0	-49.12	361.87	1.51	-47.61
O=C(C1=CC=C(F)C2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183823	0	39	-1.0	-43.73	319.97	6.71	-37.02
O=C(C1=CC=C(F)C2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183823	1	39	-1.0	-43.75	320.03	6.72	-37.03
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2=COC=C2)=N1	REAL300020183824	0	40	-1.0	-46.38	336.58	3.91	-42.47
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2=COC=C2)=N1	REAL300020183824	1	40	-1.0	-46.41	336.53	3.89	-42.52
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183825	0	46	-1.0	-48.18	350.49	4.84	-43.34
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183825	1	46	-1.0	-48.22	350.55	4.86	-43.36
CC1=CSC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020183826	0	38	-1.0	-44.05	322.68	3.97	-40.08
CC1=CSC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020183826	1	38	-1.0	-44.11	322.74	3.99	-40.12
COC(CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183827	0	53	-1.0	-46.55	407.72	2.97	-43.58
COC(CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183827	1	53	-1.0	-46.56	407.78	2.99	-43.57
O=C(C1=NN(C2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183828	0	39	-1.0	-46.38	323.74	4.46	-41.92
O=C(C1=NN(C2=CC=NC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183828	1	39	-1.0	-46.40	323.79	4.48	-41.92
CN(CCO)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020183829	0	48	-1.0	-48.91	395.97	1.07	-47.84
CN(CCO)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020183829	1	48	-1.0	-48.91	396.03	1.08	-47.83
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(S(N)(=O)=O)O1	REAL300020183830	0	38	-1.0	-47.10	328.73	-1.67	-48.77
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(S(N)(=O)=O)O1	REAL300020183830	1	38	-1.0	-47.17	328.79	-1.66	-48.83
O=C(C1=COC(C2CCC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183831	0	39	-1.0	-42.19	316.14	3.12	-39.07
O=C(C1=COC(C2CCC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183831	1	39	-1.0	-42.18	316.20	3.13	-39.05
CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CN=C1	REAL300020183832	0	44	-1.0	-45.71	343.11	5.18	-40.53
CC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CN=C1	REAL300020183832	1	44	-1.0	-45.68	343.06	5.17	-40.51
CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183833	0	53	-1.0	-40.63	407.03	5.33	-35.30
CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183833	1	53	-1.0	-40.61	407.09	5.34	-35.27
CC1=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300020183834	0	42	-1.0	-47.53	347.79	6.57	-40.96
CC1=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300020183834	1	42	-1.0	-47.54	347.85	6.58	-40.96
CC1C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1C1=CC=CC=C1	REAL300020183835	0	43	-1.0	-42.15	341.91	7.34	-34.81
CC1C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1C1=CC=CC=C1	REAL300020183835	1	43	-1.0	-42.14	341.97	7.36	-34.78
CC1=CC=CN=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183836	0	38	-1.0	-44.96	311.07	4.84	-40.12
CC1=CC=CN=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183836	1	38	-1.0	-44.96	311.01	4.82	-40.14
CSC1=CC=CC(F)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183837	0	37	-1.0	-46.74	319.68	5.56	-41.18
CSC1=CC=CC(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183837	1	37	-1.0	-46.73	319.74	5.58	-41.15
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)=C1	REAL300020183838	0	43	-2.0	-108.69	359.93	4.86	-103.83
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)=C1	REAL300020183838	1	43	-2.0	-108.72	359.98	4.88	-103.84
CC(C)CC(=O)NC(CC(N)=O)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183839	0	49	-1.0	-48.62	379.95	1.10	-47.52
CC(C)CC(=O)NC(CC(N)=O)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183839	1	49	-1.0	-48.59	380.01	1.12	-47.47
C[Si](C)(C)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020183840	0	48	-1.0	-45.36	387.52	9.94	-35.42
C[Si](C)(C)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020183840	1	48	-1.0	-45.38	387.58	9.96	-35.42
CC(C)(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020183841	0	38	-1.0	-39.12	302.83	4.61	-34.51
CC(C)(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020183841	1	38	-1.0	-39.11	302.89	4.63	-34.48
COC(=O)[C@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020183842	0	45	-1.0	-44.98	350.01	5.52	-39.46
COC(=O)[C@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020183842	1	45	-1.0	-45.00	350.07	5.53	-39.47
O=C(C1=CC=C(Br)C2=C1OCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183843	0	41	-1.0	-45.35	341.80	6.01	-39.34
O=C(C1=CC=C(Br)C2=C1OCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183843	1	41	-1.0	-45.36	341.86	6.03	-39.33
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183844	0	37	-1.0	-41.14	331.26	6.54	-34.60
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183844	1	37	-1.0	-41.17	331.31	6.55	-34.62
CC1=NC(CN2N=NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2C)=NO1	REAL300020183845	0	43	-1.0	-47.54	358.20	1.27	-46.27
CC1=NC(CN2N=NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2C)=NO1	REAL300020183845	1	43	-1.0	-47.52	358.26	1.29	-46.23
CC1=NC(CN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)N=N2)=NO1	REAL300020183846	0	40	-1.0	-49.39	341.25	0.72	-48.67
CC1=NC(CN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N=N2)=NO1	REAL300020183846	1	40	-1.0	-49.41	341.31	0.74	-48.67
CCSC1=NC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183847	0	38	-1.0	-45.73	319.30	3.82	-41.91
CCSC1=NC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183847	1	38	-1.0	-45.76	319.24	3.80	-41.96
CCC1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Br	REAL300020183848	0	36	-1.0	-39.65	318.31	2.96	-36.69
CCC1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Br	REAL300020183848	1	36	-1.0	-39.68	318.37	2.98	-36.70
O=C(C1=NN(CC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183849	0	36	-1.0	-45.68	306.97	3.99	-41.69
O=C(C1=NN(CC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183849	1	36	-1.0	-45.69	306.92	3.97	-41.72
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=NN1CC1=CC=C(F)C=C1	REAL300020183850	0	48	-1.0	-47.21	390.22	6.39	-40.82
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=NN1CC1=CC=C(F)C=C1	REAL300020183850	1	48	-1.0	-47.21	390.28	6.41	-40.80
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)=C1	REAL300020183851	0	49	-2.0	-106.19	395.38	6.13	-100.06
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)=C1	REAL300020183851	1	49	-2.0	-106.21	395.44	6.15	-100.06
O=C(CC1=CC=CN=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183852	0	35	-1.0	-48.21	307.48	4.07	-44.14
O=C(CC1=CC=CN=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183852	1	35	-1.0	-48.22	307.42	4.05	-44.17
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1C=CC2=CC=CC=C2C1=O	REAL300020183853	0	45	-1.0	-49.97	357.69	6.30	-43.67
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1C=CC2=CC=CC=C2C1=O	REAL300020183853	1	45	-1.0	-49.96	357.75	6.32	-43.64
CN1N=CC2=C1N(C)C=C(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2=O	REAL300020183854	0	42	-1.0	-51.55	337.31	4.28	-47.27
CN1N=CC2=C1N(C)C=C(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2=O	REAL300020183854	1	42	-1.0	-51.60	337.37	4.29	-47.31
CC1=C(S(N)(=O)=O)SC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020183855	0	38	-1.0	-48.12	348.19	-0.43	-48.55
CC1=C(S(N)(=O)=O)SC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020183855	1	38	-1.0	-48.10	348.25	-0.41	-48.51
COC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1[N+](=O)[O-]	REAL300020183856	0	39	-1.0	-59.19	329.23	4.61	-54.58
COC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1[N+](=O)[O-]	REAL300020183856	1	39	-1.0	-59.18	329.29	4.62	-54.56
O=C(C1=CC(Cl)=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183857	0	33	-1.0	-43.55	315.10	5.66	-37.89
O=C(C1=CC(Cl)=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183857	1	33	-1.0	-43.55	315.16	5.68	-37.87
O=C(C1=CC=C(Br)C(Cl)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183858	0	33	-1.0	-46.41	313.32	5.62	-40.79
O=C(C1=CC=C(Br)C(Cl)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183858	1	33	-1.0	-46.41	313.37	5.64	-40.77
COC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183859	0	49	-1.0	-48.95	393.39	9.01	-39.94
COC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183859	1	49	-1.0	-48.96	393.45	9.02	-39.94
O=C(OCC1=CC=CC=C1)N1CCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183860	0	51	-1.0	-55.34	409.22	6.97	-48.37
O=C(OCC1=CC=CC=C1)N1CCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183860	1	51	-1.0	-55.41	409.27	6.99	-48.42
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC(F)=CC=C21	REAL300020183861	0	40	-1.0	-52.82	331.46	6.25	-46.57
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC(F)=CC=C21	REAL300020183861	1	40	-1.0	-52.84	331.52	6.26	-46.58
N#CCCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020183862	0	47	-1.0	-58.72	389.82	8.40	-50.32
N#CCCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020183862	1	47	-1.0	-58.71	389.88	8.41	-50.30
CC1=NC2=CC=CC=C2C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183863	0	44	-1.0	-45.28	351.29	5.92	-39.36
CC1=NC2=CC=CC=C2C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183863	1	44	-1.0	-45.28	351.35	5.94	-39.34
O=C(C1=CN=NN1C1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183864	0	39	-1.0	-45.03	348.83	5.02	-40.01
O=C(C1=CN=NN1C1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183864	1	39	-1.0	-45.02	348.77	5.01	-40.01
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCOCC1	REAL300020183865	0	46	-1.0	-41.17	322.83	3.53	-37.64
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCOCC1	REAL300020183865	1	46	-1.0	-41.15	322.89	3.55	-37.60
O=C(C1CC(C2=C(F)C=CC=C2F)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183866	0	41	-1.0	-49.58	349.05	6.06	-43.52
O=C(C1CC(C2=C(F)C=CC=C2F)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183866	1	41	-1.0	-49.62	349.11	6.07	-43.55
O=C(C1=NC(C2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183867	0	39	-1.0	-48.38	333.79	5.16	-43.22
O=C(C1=NC(C2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183867	1	39	-1.0	-48.36	333.73	5.15	-43.21
CCC1=CSC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020183868	0	38	-1.0	-44.59	322.41	3.92	-40.67
CCC1=CSC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020183868	1	38	-1.0	-44.59	322.47	3.93	-40.66
O=C(C1=CC=NC(OC2=CC=C(F)C=C2F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183869	0	43	-1.0	-47.34	368.42	4.82	-42.52
O=C(C1=CC=NC(OC2=CC=C(F)C=C2F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183869	1	43	-1.0	-47.33	368.36	4.81	-42.52
CN1N=CC2=C1CC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)CC2	REAL300020183870	0	43	-1.0	-44.01	334.37	4.58	-39.43
CN1N=CC2=C1CC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)CC2	REAL300020183870	1	43	-1.0	-43.97	334.43	4.58	-39.39
CS(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020183871	0	41	-1.0	-53.20	346.91	4.05	-49.15
CS(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020183871	1	41	-1.0	-53.19	346.96	4.07	-49.12
CCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=N1	REAL300020183872	0	39	-1.0	-50.71	333.94	4.00	-46.71
CCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=N1	REAL300020183872	1	39	-1.0	-50.71	333.88	3.99	-46.72
O=C([C@H]1C[C@@H]1C1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183873	0	40	-1.0	-42.43	328.29	6.85	-35.58
O=C([C@H]1C[C@@H]1C1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183873	1	40	-1.0	-42.42	328.35	6.86	-35.56
O=C(CCCOC1=CC=C2CCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183874	0	51	-1.0	-50.44	405.86	5.04	-45.40
O=C(CCCOC1=CC=C2CCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183874	1	51	-1.0	-50.43	405.91	5.05	-45.38
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=NN1CC1=CC=C(F)C=C1	REAL300020183875	0	45	-1.0	-47.26	371.74	5.77	-41.49
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=NN1CC1=CC=C(F)C=C1	REAL300020183875	1	45	-1.0	-47.30	371.79	5.79	-41.51
O=C(C1=CC=CC2=C1NC1=CC=CC=C1C2=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183876	0	45	-1.0	-45.96	365.06	6.61	-39.35
O=C(C1=CC=CC2=C1NC1=CC=CC=C1C2=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183876	1	45	-1.0	-45.98	365.12	6.62	-39.36
O=C(C1=CC=C(N2C(=O)CCC2=O)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183877	0	45	-1.0	-57.48	380.68	6.15	-51.33
O=C(C1=CC=C(N2C(=O)CCC2=O)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183877	1	45	-1.0	-57.48	380.73	6.16	-51.32
O=C(C1=CC=CC(CN2C=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183878	0	43	-1.0	-50.90	352.16	7.65	-43.25
O=C(C1=CC=CC(CN2C=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183878	1	43	-1.0	-50.85	352.21	7.67	-43.18
O=C(C1=NC2=NC=CN=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183879	0	36	-1.0	-47.47	300.59	2.82	-44.65
O=C(C1=NC2=NC=CN=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183879	1	36	-1.0	-47.47	300.53	2.81	-44.66
CC1=NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020183880	0	38	-1.0	-44.42	313.57	2.08	-42.34
CC1=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020183880	1	38	-1.0	-44.44	313.63	2.09	-42.35
O=C(C1=NC2=CC=CC=C2N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183881	0	36	-1.0	-49.26	303.38	2.97	-46.29
O=C(C1=NC2=CC=CC=C2N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183881	1	36	-1.0	-49.24	303.33	2.95	-46.29
CC1=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C2O1	REAL300020183882	0	38	-1.0	-53.56	314.79	2.10	-51.46
CC1=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C2O1	REAL300020183882	1	38	-1.0	-53.57	314.85	2.12	-51.45
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1CO	REAL300020183883	0	40	-1.0	-47.90	319.42	2.51	-45.39
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1CO	REAL300020183883	1	40	-1.0	-47.85	319.48	2.52	-45.33
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183884	0	42	-1.0	-57.27	350.10	5.76	-51.51
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183884	1	42	-1.0	-57.34	350.16	5.77	-51.57
CN1C=NC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C21	REAL300020183885	0	39	-1.0	-45.70	312.66	5.60	-40.10
CN1C=NC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C21	REAL300020183885	1	39	-1.0	-45.71	312.60	5.58	-40.13
COC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020183886	0	35	-1.0	-41.12	302.96	3.13	-37.99
COC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020183886	1	35	-1.0	-41.09	302.90	3.11	-37.98
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183887	0	37	-1.0	-42.42	316.52	3.20	-39.22
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183887	1	37	-1.0	-42.44	316.58	3.22	-39.22
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)S(C)(=O)=O	REAL300020183888	0	41	-1.0	-47.20	326.33	1.15	-46.05
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)S(C)(=O)=O	REAL300020183888	1	41	-1.0	-47.22	326.39	1.17	-46.05
CCOC1=NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2N1	REAL300020183889	0	43	-1.0	-48.70	349.29	1.78	-46.92
CCOC1=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2N1	REAL300020183889	1	43	-1.0	-48.70	349.35	1.79	-46.91
COC1=CC=CN=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183890	0	39	-1.0	-47.72	318.06	2.98	-44.74
COC1=CC=CN=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183890	1	39	-1.0	-47.72	318.11	3.00	-44.72
O=C(C1=C(Br)OC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183891	0	30	-1.0	-44.41	272.24	3.23	-41.18
O=C(C1=C(Br)OC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183891	1	30	-1.0	-44.45	272.29	3.25	-41.20
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1Br	REAL300020183892	0	42	-1.0	-43.40	329.73	6.10	-37.30
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1Br	REAL300020183892	1	42	-1.0	-43.41	329.79	6.11	-37.30
O=C(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(O)C=C1	REAL300020183893	0	36	-1.0	-45.05	307.48	1.58	-43.47
O=C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(O)C=C1	REAL300020183893	1	36	-1.0	-45.08	307.54	1.60	-43.48
O=C(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C([O-])C=C1	REAL300020183893	1	35	-2.0	-88.55	303.96	2.37	-86.18
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CNS(=O)(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020184109	0	46	-1.0	-47.61	363.04	-0.24	-47.85
CNS(=O)(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020184109	1	46	-1.0	-47.61	363.09	-0.23	-47.84
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CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184111	0	50	-1.0	-54.20	388.85	5.09	-49.11
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184111	1	50	-1.0	-54.20	388.91	5.10	-49.10
CC1=CC=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C(Cl)N=C12	REAL300020184112	0	41	-1.0	-48.27	346.94	6.08	-42.19
CC1=CC=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C(Cl)N=C12	REAL300020184112	1	41	-1.0	-48.28	346.88	6.06	-42.22
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CCC1=CC=CC=C1OCCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184124	0	46	-1.0	-42.82	366.27	6.59	-36.23
CCC1=CC=CC=C1OCCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184124	1	46	-1.0	-42.83	366.33	6.61	-36.22
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COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1OC	REAL300020184126	0	44	-1.0	-45.66	350.04	4.45	-41.21
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1OC	REAL300020184126	1	44	-1.0	-45.64	350.09	4.47	-41.17
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CC1=NC=C2CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CN21	REAL300020184129	0	43	-1.0	-44.21	333.68	5.22	-38.99
CC1=NC=C2CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CN21	REAL300020184129	1	43	-1.0	-44.26	333.74	5.24	-39.02
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CN21	REAL300020184129	1	44	0.0	-56.95	337.68	5.76	-51.19
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CN21	REAL300020184129	1	44	0.0	-56.98	337.74	5.78	-51.20
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CC1=NN=C(COCC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020184131	0	38	-1.0	-53.09	330.37	2.65	-50.44
CC1=NN=C(COCC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020184131	1	38	-1.0	-53.08	330.43	2.67	-50.41
COC1=CC=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2)=C1	REAL300020184132	0	44	-1.0	-48.97	348.82	5.61	-43.36
COC1=CC=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2)=C1	REAL300020184132	1	44	-1.0	-48.97	348.88	5.63	-43.34
CCC1=CC=C2OC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=C1	REAL300020184133	0	42	-1.0	-47.52	342.08	6.39	-41.13
CCC1=CC=C2OC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=C1	REAL300020184133	1	42	-1.0	-47.51	342.14	6.41	-41.10
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CC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1O	REAL300020184135	0	39	-1.0	-50.10	320.01	3.42	-46.68
CC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1O	REAL300020184135	1	39	-1.0	-50.12	320.07	3.44	-46.68
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CCOC(=O)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)NC2=CC=CC=C21	REAL300020184136	1	49	-1.0	-46.53	400.28	6.61	-39.92
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O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184137	1	55	0.0	-60.09	404.42	9.19	-50.90
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184137	1	55	0.0	-66.43	413.33	9.14	-57.29
O=C(C1=COC(SC2=NC=CC=N2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184138	0	38	-1.0	-47.55	335.18	2.40	-45.15
O=C(C1=COC(SC2=NC=CC=N2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184138	1	38	-1.0	-47.56	335.12	2.39	-45.17
COC(=O)CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)NC2=CC=CC=C21	REAL300020184139	0	46	-1.0	-48.16	381.65	5.79	-42.37
COC(=O)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)NC2=CC=CC=C21	REAL300020184139	1	46	-1.0	-48.18	381.70	5.81	-42.37
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2)CC1	REAL300020184140	0	60	0.0	-66.12	423.55	5.94	-60.18
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2)CC1	REAL300020184140	1	60	0.0	-66.16	423.61	5.95	-60.21
CC(CN1C=CC2=CC=CC=C21)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184141	0	46	-1.0	-43.01	364.47	7.82	-35.19
CC(CN1C=CC2=CC=CC=C21)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184141	1	46	-1.0	-43.05	364.53	7.83	-35.22
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CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(C(C)C)O1	REAL300020184143	0	42	-1.0	-42.23	335.07	5.55	-36.68
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(C(C)C)O1	REAL300020184143	1	42	-1.0	-42.26	335.13	5.57	-36.69
O=C(C(CO)C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184144	0	40	-1.0	-43.49	338.52	3.05	-40.44
O=C(C(CO)C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184144	1	40	-1.0	-43.50	338.58	3.07	-40.43
CC(C)OC1=NC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184145	0	42	-1.0	-48.95	336.55	3.91	-45.04
CC(C)OC1=NC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184145	1	42	-1.0	-49.01	336.49	3.90	-45.11
O=C(C1=CC=C(C(F)(F)F)C=C1N1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184146	0	48	-1.0	-41.92	382.19	6.00	-35.92
O=C(C1=CC=C(C(F)(F)F)C=C1N1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184146	1	48	-1.0	-41.94	382.24	6.02	-35.92
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(Br)C(=O)N1	REAL300020184147	0	36	-1.0	-43.16	313.87	2.61	-40.55
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(Br)C(=O)N1	REAL300020184147	1	36	-1.0	-43.09	313.93	2.62	-40.47
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CC1=CSC(C(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020184149	0	38	-1.0	-42.24	320.36	3.65	-38.59
CC1=CSC(C(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020184149	1	38	-1.0	-42.24	320.42	3.66	-38.58
N#CC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020184150	0	34	-1.0	-44.38	306.28	5.32	-39.06
N#CC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020184150	1	34	-1.0	-44.39	306.34	5.34	-39.05
CC(C)CC1=CC=CC(C(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020184151	0	51	-1.0	-40.28	390.88	8.45	-31.83
CC(C)CC1=CC=CC(C(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020184151	1	51	-1.0	-40.26	390.94	8.47	-31.79
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O=C(C1CCCC2CCCCC21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184152	1	49	-1.0	-41.29	343.86	6.91	-34.38
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CC1=NC(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=CS1	REAL300020184155	0	42	-1.0	-46.89	353.09	5.80	-41.09
CC1=NC(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=CS1	REAL300020184155	1	42	-1.0	-46.91	353.03	5.78	-41.13
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COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(Br)=C1OC	REAL300020184156	1	41	-1.0	-41.84	353.51	4.43	-37.41
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CC1=CC(CN2N=NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2C)=NO1	REAL300020184158	1	44	-1.0	-48.62	363.61	3.90	-44.72
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O=C(C(C1CCC1)C1CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184160	1	46	-1.0	-41.38	338.59	6.57	-34.81
COC1=CC(C)=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184161	0	40	-1.0	-45.01	340.01	5.27	-39.74
COC1=CC(C)=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184161	1	40	-1.0	-45.05	340.07	5.29	-39.76
COC1=CC=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1F	REAL300020184162	0	43	-1.0	-48.24	350.86	5.61	-42.63
COC1=CC=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1F	REAL300020184162	1	43	-1.0	-48.29	350.92	5.62	-42.67
CCC(C)(C)C1CCC2(CC2C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020184163	0	58	-1.0	-42.65	402.92	8.60	-34.05
CCC(C)(C)C1CCC2(CC2C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020184163	1	58	-1.0	-42.66	402.98	8.61	-34.05
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CC(O)(CSC1=CC=CC(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184165	0	44	-1.0	-40.99	362.18	4.13	-36.86
CC(O)(CSC1=CC=CC(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184165	1	44	-1.0	-41.03	362.24	4.14	-36.89
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CN1C=CN=C1C(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020184166	1	42	-1.0	-45.72	347.22	5.12	-40.60
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CC1=CN=C(S(C)(=O)=O)N=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184168	1	40	-1.0	-54.90	346.27	-0.13	-55.03
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O=C(C1=CC([N+](=O)[O-])=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184169	1	35	-1.0	-43.90	304.99	5.21	-38.69
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CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2=CC=CN=C2)=NO1	REAL300020184171	0	41	-1.0	-41.91	346.18	4.72	-37.19
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2=CC=CN=C2)=NO1	REAL300020184171	1	41	-1.0	-41.96	346.12	4.70	-37.26
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O=C(C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184174	0	42	-1.0	-44.52	344.64	7.16	-37.36
O=C(C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184174	1	42	-1.0	-44.53	344.70	7.17	-37.36
CNC1=NC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1[N+](=O)[O-]	REAL300020184175	0	39	-1.0	-52.45	331.15	3.58	-48.87
CNC1=NC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1[N+](=O)[O-]	REAL300020184175	1	39	-1.0	-52.46	331.09	3.57	-48.89
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184176	0	50	-1.0	-45.90	391.70	9.15	-36.75
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184176	1	50	-1.0	-45.89	391.75	9.16	-36.73
CN(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC2=CC=CC=C21	REAL300020184177	0	46	-1.0	-43.88	365.18	5.53	-38.35
CN(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC2=CC=CC=C21	REAL300020184177	1	46	-1.0	-43.84	365.12	5.51	-38.33
CC1=CC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN1C1CC1	REAL300020184178	0	43	-1.0	-53.05	345.32	5.60	-47.45
CC1=CC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN1C1CC1	REAL300020184178	1	43	-1.0	-53.07	345.38	5.61	-47.46
COC(=O)CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CO1	REAL300020184179	0	39	-1.0	-48.57	325.93	4.14	-44.43
COC(=O)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CO1	REAL300020184179	1	39	-1.0	-48.53	325.98	4.16	-44.37
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020184180	0	44	0.0	-69.02	342.86	4.75	-64.27
CN(C)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020184180	1	43	-1.0	-44.79	342.07	2.02	-42.77
CN(C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020184180	1	43	-1.0	-44.86	342.12	2.04	-42.82
NC1=NC(C2CCCC2)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184181	0	46	-1.0	-41.46	360.17	3.87	-37.59
NC1=NC(C2CCCC2)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184181	1	46	-1.0	-41.49	360.23	3.88	-37.61
O=C(CC1=COC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184182	0	39	-1.0	-46.53	322.58	5.81	-40.72
O=C(CC1=COC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184182	1	39	-1.0	-46.51	322.64	5.82	-40.69
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184183	0	46	-1.0	-45.79	372.62	4.78	-41.01
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184183	1	46	-1.0	-45.77	372.67	4.79	-40.98
CC1=C(Br)C=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184184	0	38	-1.0	-39.61	335.07	6.25	-33.36
CC1=C(Br)C=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184184	1	38	-1.0	-39.64	335.13	6.26	-33.38
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(Cl)=C1Br	REAL300020184185	0	36	-1.0	-39.74	324.75	6.07	-33.67
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(Cl)=C1Br	REAL300020184185	1	36	-1.0	-39.74	324.81	6.09	-33.65
CN1N=CC=C1COCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184186	0	40	-1.0	-50.29	330.01	3.56	-46.73
CN1N=CC=C1COCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184186	1	40	-1.0	-50.30	330.07	3.57	-46.73
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184187	0	48	-1.0	-41.97	382.30	7.96	-34.01
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184187	1	48	-1.0	-42.00	382.36	7.98	-34.02
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020184188	0	40	-2.0	-102.28	341.60	4.28	-98.00
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020184188	1	40	-2.0	-102.31	341.66	4.30	-98.01
CC1=CC2=C(C)C=CN=C2C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020184189	0	44	-1.0	-52.18	350.57	6.17	-46.01
CC1=CC2=C(C)C=CN=C2C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020184189	1	44	-1.0	-52.19	350.63	6.19	-46.00
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL300020184190	0	41	-1.0	-39.60	346.29	6.14	-33.46
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL300020184190	1	41	-1.0	-39.62	346.34	6.16	-33.46
O=C(C1CCC(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184191	0	42	-1.0	-44.77	331.82	5.97	-38.80
O=C(C1CCC(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184191	1	42	-1.0	-44.78	331.88	5.99	-38.79
O=C(C1=CC(Cl)=CC(F)=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184192	0	33	-1.0	-42.29	312.82	5.63	-36.66
O=C(C1=CC(Cl)=CC(F)=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184192	1	33	-1.0	-42.30	312.88	5.64	-36.66
CC1=CSC(CCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020184193	0	41	-1.0	-45.79	344.14	4.74	-41.05
CC1=CSC(CCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020184193	1	41	-1.0	-45.77	344.20	4.76	-41.01
O=C(CSC1=NC=CN1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184194	0	47	-1.0	-45.73	396.85	8.41	-37.32
O=C(CSC1=NC=CN1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184194	1	47	-1.0	-45.75	396.80	8.40	-37.35
O=CC1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C12	REAL300020184195	0	42	-1.0	-49.93	351.56	6.60	-43.33
O=CC1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C12	REAL300020184195	1	42	-1.0	-49.88	351.61	6.61	-43.27
O=C(N1CCC(C2=N[N-]N=N2)CC1)C12C3C(=O)C4C1C1CC4C3C12	REAL300020184196	0	42	-1.0	-42.54	318.92	5.59	-36.95
O=C(N1CCC(C2=NN=N[N-]2)CC1)C12C3C(=O)C4C1C1CC4C3C12	REAL300020184196	1	42	-1.0	-42.54	318.97	5.60	-36.94
O=C(C1CCN(CC(F)(F)F)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184197	0	44	-1.0	-42.93	337.11	2.95	-39.98
O=C(C1CCN(CC(F)(F)F)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184197	1	44	-1.0	-42.96	337.17	2.96	-40.00
O=C(C1COCCN1CC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184198	0	42	-1.0	-42.11	334.90	1.31	-40.80
O=C(C1COCCN1CC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184198	1	42	-1.0	-42.10	334.96	1.32	-40.78
COCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=N1	REAL300020184199	0	36	-1.0	-44.97	308.09	1.23	-43.74
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CC1=CC=C(Br)C=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184251	0	39	-1.0	-43.76	332.73	6.55	-37.21
CC1=CC=C(Br)C=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184251	1	39	-1.0	-43.75	332.79	6.57	-37.18
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=C1CCC2	REAL300020184252	0	43	-1.0	-43.96	336.42	6.95	-37.01
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=C1CCC2	REAL300020184252	1	43	-1.0	-43.97	336.48	6.97	-37.00
O=C(C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184253	0	42	-1.0	-47.53	351.03	7.65	-39.88
O=C(C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184253	1	42	-1.0	-47.54	351.09	7.66	-39.88
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C(C)C	REAL300020184254	0	42	-1.0	-45.82	334.35	4.87	-40.95
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C(C)C	REAL300020184254	1	42	-1.0	-45.84	334.41	4.89	-40.95
CCC(CC(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184255	0	38	-1.0	-39.28	306.73	4.60	-34.68
CCC(CC(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184255	1	38	-1.0	-39.32	306.79	4.62	-34.70
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=NN1C1=CN(C)N=C1	REAL300020184256	0	42	-1.0	-46.44	344.36	2.99	-43.45
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=NN1C1=CN(C)N=C1	REAL300020184256	1	42	-1.0	-46.44	344.31	2.97	-43.47
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184257	0	40	-1.0	-44.10	336.30	7.19	-36.91
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184257	1	40	-1.0	-44.11	336.36	7.20	-36.91
CC1=CC=C(F)C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020184258	0	39	-1.0	-46.51	321.53	6.16	-40.35
CC1=CC=C(F)C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020184258	1	39	-1.0	-46.56	321.58	6.18	-40.38
CC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=C1	REAL300020184259	0	39	-1.0	-42.35	334.29	6.63	-35.72
CC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Br)=C1	REAL300020184259	1	39	-1.0	-42.34	334.35	6.65	-35.69
O=C(CC1=CC2=CC=CC=C2C(=O)N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184260	0	42	-1.0	-52.31	345.68	4.53	-47.78
O=C(CC1=CC2=CC=CC=C2C(=O)N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184260	1	42	-1.0	-52.33	345.74	4.54	-47.79
C=CCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCC1	REAL300020184261	0	46	-1.0	-41.31	328.64	5.86	-35.45
C=CCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCC1	REAL300020184261	1	46	-1.0	-41.31	328.70	5.88	-35.43
CC1=CN=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020184262	0	41	-1.0	-42.79	332.38	5.13	-37.66
CC1=CN=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020184262	1	41	-1.0	-42.84	332.44	5.15	-37.69
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)OC(C(C)C)=N1	REAL300020184263	0	41	-1.0	-41.21	328.43	2.24	-38.97
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)OC(C(C)C)=N1	REAL300020184263	1	41	-1.0	-41.20	328.49	2.26	-38.94
CC(F)(F)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020184264	0	39	-1.0	-42.94	323.70	5.98	-36.96
CC(F)(F)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020184264	1	39	-1.0	-42.97	323.75	5.99	-36.98
CC(C)CC(CC(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184265	0	50	-1.0	-40.75	368.01	6.80	-33.95
CC(C)CC(CC(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184265	1	50	-1.0	-40.79	368.07	6.81	-33.98
O=C(CC1COC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184266	0	42	-1.0	-48.07	337.87	5.41	-42.66
O=C(CC1COC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184266	1	42	-1.0	-48.09	337.93	5.42	-42.67
O=C(C1=CC=NC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184267	0	36	-1.0	-46.96	308.05	1.87	-45.09
O=C(C1=CC=NC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184267	1	36	-1.0	-46.96	307.99	1.86	-45.10
COC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1OC	REAL300020184268	0	44	-1.0	-45.86	370.86	5.21	-40.65
COC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1OC	REAL300020184268	1	44	-1.0	-45.92	370.92	5.23	-40.69
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC1	REAL300020184269	0	50	-1.0	-50.04	378.96	4.28	-45.76
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC1	REAL300020184269	1	50	-1.0	-50.02	379.02	4.29	-45.73
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C([N+](=O)[O-])C=C1F	REAL300020184270	0	39	-1.0	-50.63	331.77	5.36	-45.27
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C([N+](=O)[O-])C=C1F	REAL300020184270	1	39	-1.0	-50.64	331.83	5.38	-45.26
O=C(C1CC12CCSCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184271	0	41	-1.0	-43.71	327.76	5.88	-37.83
O=C(C1CC12CCSCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184271	1	41	-1.0	-43.72	327.82	5.89	-37.83
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=N1	REAL300020184272	0	38	-1.0	-41.89	321.77	3.76	-38.13
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=N1	REAL300020184272	1	38	-1.0	-41.93	321.83	3.77	-38.16
CC1=NC2=CC=NN2C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184273	0	38	-1.0	-42.67	315.65	4.00	-38.67
CC1=NC2=CC=NN2C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184273	1	38	-1.0	-42.65	315.70	4.01	-38.64
O=C(C1CC1C1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184274	0	40	-1.0	-44.13	336.32	7.19	-36.94
O=C(C1CC1C1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184274	1	40	-1.0	-44.14	336.38	7.20	-36.94
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2(CC2)C1	REAL300020184275	0	54	-1.0	-44.20	411.62	5.82	-38.38
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2(CC2)C1	REAL300020184275	1	54	-1.0	-44.21	411.68	5.83	-38.38
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184276	0	48	-1.0	-44.54	380.83	4.64	-39.90
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184276	1	48	-1.0	-44.59	380.89	4.66	-39.93
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=CC=C1Br	REAL300020184277	0	36	-1.0	-41.58	316.82	5.78	-35.80
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC=CC=C1Br	REAL300020184277	1	36	-1.0	-41.62	316.88	5.80	-35.82
O=C(C1=CC=C(S(=O)(=O)C2CC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184278	0	43	-1.0	-47.04	362.08	3.74	-43.30
O=C(C1=CC=C(S(=O)(=O)C2CC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184278	1	43	-1.0	-47.05	362.14	3.76	-43.29
O=C(COC1=C(Cl)C=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184279	0	37	-1.0	-43.33	356.35	7.08	-36.25
O=C(COC1=C(Cl)C=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184279	1	37	-1.0	-43.31	356.41	7.10	-36.21
CC(=O)C1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=N1	REAL300020184280	0	37	-1.0	-52.25	315.65	1.90	-50.35
CC(=O)C1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020184280	1	37	-1.0	-52.26	315.70	1.92	-50.34
O=C([C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184281	0	48	-1.0	-52.02	390.50	4.54	-47.48
O=C([C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184281	1	48	-1.0	-52.03	390.56	4.56	-47.47
O=C(C1=C(Br)SC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184282	0	30	-1.0	-43.85	280.96	4.09	-39.76
O=C(C1=C(Br)SC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184282	1	30	-1.0	-43.88	281.02	4.11	-39.77
COC1=CC=C(OC(F)(F)F)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020184283	0	41	-1.0	-45.51	346.50	3.85	-41.66
COC1=CC=C(OC(F)(F)F)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020184283	1	41	-1.0	-45.51	346.56	3.86	-41.65
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC2=C1OC(F)(F)O2	REAL300020184284	0	39	-1.0	-43.13	328.59	4.13	-39.00
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC2=C1OC(F)(F)O2	REAL300020184284	1	39	-1.0	-43.15	328.65	4.14	-39.01
COC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020184285	0	40	-1.0	-44.92	340.23	5.31	-39.61
COC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020184285	1	40	-1.0	-44.91	340.29	5.32	-39.59
O=C(C1=CC2=C(CCCC2)N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184286	0	41	-1.0	-43.99	317.55	5.16	-38.83
O=C(C1=CC2=C(CCCC2)N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184286	1	41	-1.0	-44.01	317.61	5.17	-38.84
O=C(CC1=CC=C(O)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184287	0	37	-1.0	-47.41	311.94	2.68	-44.73
O=C(CC1=CC=C(O)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184287	1	37	-1.0	-47.39	311.99	2.70	-44.69
O=C(C(O)C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184288	0	37	-1.0	-42.27	328.68	4.09	-38.18
O=C(C(O)C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184288	1	37	-1.0	-42.29	328.73	4.10	-38.19
CN1N=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184289	0	36	-1.0	-39.65	308.22	3.18	-36.47
CN1N=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184289	1	36	-1.0	-39.63	308.16	3.16	-36.47
CC1=CC(F)=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020184290	0	39	-1.0	-43.46	326.86	6.19	-37.27
CC1=CC(F)=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020184290	1	39	-1.0	-43.50	326.92	6.21	-37.29
COC1COCCC1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184291	0	44	-1.0	-41.71	336.17	2.78	-38.93
COC1COCCC1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184291	1	44	-1.0	-41.71	336.23	2.79	-38.92
O=C(C1=CC=C(C(F)(F)F)N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184292	0	34	-1.0	-40.56	295.22	3.71	-36.85
O=C(C1=CC=C(C(F)(F)F)N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184292	1	34	-1.0	-40.56	295.27	3.72	-36.84
CC(C)(C)C(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020184293	0	48	-1.0	-49.68	378.76	4.90	-44.78
CC(C)(C)C(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020184293	1	48	-1.0	-49.64	378.71	4.88	-44.76
CC1=CC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020184294	0	39	-1.0	-41.15	328.38	6.24	-34.91
CC1=CC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020184294	1	39	-1.0	-41.17	328.44	6.25	-34.92
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1Cl	REAL300020184295	0	36	-1.0	-46.35	320.28	6.03	-40.32
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1Cl	REAL300020184295	1	36	-1.0	-46.39	320.33	6.04	-40.35
CC(C)(C)C(=O)CCCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184296	0	46	-1.0	-49.75	358.26	5.77	-43.98
CC(C)(C)C(=O)CCCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184296	1	46	-1.0	-49.72	358.32	5.79	-43.93
O=C(C1=CC=CN1CCN1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184297	0	50	-1.0	-45.35	382.15	3.26	-42.09
O=C(C1=CC=CN1CCN1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184297	1	50	-1.0	-45.33	382.21	3.28	-42.05
O=C(C1=C2CCCCC2=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184298	0	39	-1.0	-41.19	307.26	4.32	-36.87
O=C(C1=C2CCCCC2=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184298	1	39	-1.0	-41.20	307.31	4.34	-36.86
N#CC1=CC(Br)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184299	0	34	-1.0	-49.32	311.07	5.33	-43.99
N#CC1=CC(Br)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184299	1	34	-1.0	-49.35	311.13	5.35	-44.00
O=C(C1=CSC(I)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184300	0	29	-1.0	-41.52	282.79	3.34	-38.18
O=C(C1=CSC(I)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184300	1	29	-1.0	-41.55	282.73	3.32	-38.23
CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020184301	0	48	-1.0	-43.14	377.02	0.88	-42.26
CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020184301	1	48	-1.0	-43.15	377.08	0.89	-42.26
O=C(C1=CSC(NC2=CC(F)=CC(F)=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184302	0	41	-1.0	-42.18	358.71	5.88	-36.30
O=C(C1=CSC(NC2=CC(F)=CC(F)=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184302	1	41	-1.0	-42.17	358.66	5.86	-36.31
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)N2N=NN=C2N1C	REAL300020184303	0	44	-1.0	-46.31	350.07	5.16	-41.15
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)N2N=NN=C2N1C	REAL300020184303	1	44	-1.0	-46.30	350.01	5.15	-41.15
CN(C(=O)OC(C)(C)C)C(CC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184304	0	61	-1.0	-41.30	434.26	7.57	-33.73
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CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020184544	1	55	-1.0	-46.65	408.10	3.20	-43.45
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O=C(C1=CN=C2NC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184549	1	36	-1.0	-45.39	300.41	0.49	-44.90
O=C(C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184550	0	41	-1.0	-42.10	354.66	7.03	-35.07
O=C(C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184550	1	41	-1.0	-42.08	354.60	7.01	-35.07
CCOC(=O)C(C)(C)CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184551	0	44	-1.0	-40.86	343.42	5.31	-35.55
CCOC(=O)C(C)(C)CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184551	1	44	-1.0	-40.84	343.48	5.33	-35.51
CCOC(=O)NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=CS1	REAL300020184552	0	40	-1.0	-43.60	340.12	1.99	-41.61
CCOC(=O)NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=CS1	REAL300020184552	1	40	-1.0	-43.61	340.18	2.01	-41.60
O=C(C1=CC=NC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184553	0	35	-1.0	-41.51	305.23	3.79	-37.72
O=C(C1=CC=NC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184553	1	35	-1.0	-41.49	305.18	3.78	-37.71
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)(C)O	REAL300020184554	0	53	-1.0	-41.55	390.00	0.17	-41.38
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)(C)O	REAL300020184554	1	53	-1.0	-41.55	390.05	0.18	-41.37
O=C(C1=CC=CC2=C1NC(=O)N2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184555	0	37	-1.0	-50.95	307.92	1.31	-49.64
O=C(C1=CC=CC2=C1NC(=O)N2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184555	1	37	-1.0	-50.96	307.98	1.32	-49.64
CS(=O)(=O)C1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020184556	0	37	-1.0	-46.78	321.62	-1.02	-47.80
CS(=O)(=O)C1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020184556	1	37	-1.0	-46.77	321.56	-1.04	-47.81
CC1=CSC(NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300020184557	0	44	-1.0	-44.91	367.16	5.47	-39.44
CC1=CSC(NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300020184557	1	44	-1.0	-44.93	367.10	5.45	-39.48
NC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC(N2CCOCC2)=N1	REAL300020184558	0	45	-1.0	-45.42	360.64	3.46	-41.96
NC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC(N2CCOCC2)=N1	REAL300020184558	1	45	-1.0	-45.38	360.58	3.45	-41.93
O=C(C1=CN=C(OCC(F)F)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184559	0	38	-1.0	-44.14	326.29	1.40	-42.74
O=C(C1=CN=C(OCC(F)F)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184559	1	38	-1.0	-44.14	326.24	1.39	-42.75
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=CS1	REAL300020184560	0	38	-1.0	-43.07	320.53	3.66	-39.41
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=CS1	REAL300020184560	1	38	-1.0	-43.09	320.47	3.65	-39.44
CC1=CC=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1	REAL300020184561	0	49	-1.0	-40.56	350.39	7.33	-33.23
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C[N@@H+]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300020184705	0	49	0.0	-71.77	367.03	7.39	-64.38
C[N@H+]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300020184705	1	49	0.0	-61.14	368.26	7.18	-53.96
C[N@@H+]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300020184705	1	49	0.0	-71.80	367.09	7.40	-64.40
C[N@H+]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300020184705	1	49	0.0	-61.14	368.32	7.20	-53.94
CN(C)C1=CC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184706	0	40	-1.0	-46.27	316.82	4.18	-42.09
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CC(C)[NH+]1CCN(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020184707	0	53	0.0	-63.83	381.67	4.14	-59.69
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020184707	1	53	0.0	-63.90	381.72	4.16	-59.74
CCOC(CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1)OCC	REAL300020184708	0	50	-1.0	-45.23	396.46	4.04	-41.19
CCOC(CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1)OCC	REAL300020184708	1	50	-1.0	-45.19	396.40	4.02	-41.17
CCC1(CN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N=N2)COC1	REAL300020184709	0	46	-1.0	-47.40	359.19	2.83	-44.57
CCC1(CN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)N=N2)COC1	REAL300020184709	1	46	-1.0	-47.36	359.14	2.81	-44.55
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020184710	0	56	0.0	-62.67	407.12	5.17	-57.50
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020184710	1	56	0.0	-62.66	407.18	5.19	-57.47
O=C(C1=CN=CC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184711	0	34	-1.0	-40.05	299.13	2.52	-37.53
O=C(C1=CN=CC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184711	1	34	-1.0	-40.07	299.07	2.51	-37.56
CC(C)(C)OC(=O)N1CCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184712	0	47	-1.0	-51.91	364.12	4.69	-47.22
CC(C)(C)OC(=O)N1CCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184712	1	47	-1.0	-51.87	364.18	4.70	-47.17
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COC1=CC=C2ON=C(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=C1	REAL300020184793	1	42	-1.0	-51.12	347.62	4.08	-47.04
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COC1CCCCN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020184795	1	47	-1.0	-49.29	359.01	4.53	-44.76
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CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)NC(=O)OC(C)(C)C	REAL300020184797	1	58	-1.0	-46.43	421.97	5.28	-41.15
CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020184798	0	50	-1.0	-53.51	381.70	4.20	-49.31
CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020184798	1	50	-1.0	-53.53	381.75	4.22	-49.31
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020184799	0	53	-1.0	-46.53	409.26	4.44	-42.09
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020184799	1	53	-1.0	-46.56	409.31	4.45	-42.11
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CC1=CC=C(F)C(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C3=C2CCC3)=C1	REAL300020184802	0	50	-1.0	-51.58	403.84	8.89	-42.69
CC1=CC=C(F)C(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C3=C2CCC3)=C1	REAL300020184802	1	50	-1.0	-51.64	403.89	8.90	-42.74
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CN1N=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020184806	0	42	-1.0	-48.36	344.62	5.32	-43.04
CN1N=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020184806	1	42	-1.0	-48.39	344.68	5.33	-43.06
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CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184807	1	41	-1.0	-42.52	335.73	6.37	-36.15
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020184808	0	44	-1.0	-42.81	340.96	5.84	-36.97
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020184808	1	44	-1.0	-42.75	340.90	5.82	-36.93
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N1C=CC=N1	REAL300020184809	0	43	-1.0	-45.53	348.56	6.57	-38.96
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N1C=CC=N1	REAL300020184809	1	43	-1.0	-45.50	348.51	6.56	-38.94
O=C(C1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184810	0	46	-1.0	-45.10	376.57	5.96	-39.14
O=C(C1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184810	1	46	-1.0	-45.14	376.63	5.98	-39.16
O=C(C1=CNN=C1C1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184811	0	44	-1.0	-46.61	344.75	2.31	-44.30
O=C(C1=CNN=C1C1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184811	1	44	-1.0	-46.62	344.81	2.33	-44.29
CC1CCC(C)(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1(C)C	REAL300020184812	0	52	-1.0	-41.65	373.35	7.33	-34.32
CC1CCC(C)(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1(C)C	REAL300020184812	1	52	-1.0	-41.61	373.40	7.35	-34.26
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(SC2CCCC2)=N1	REAL300020184813	0	49	-1.0	-45.12	405.89	7.41	-37.71
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(SC2CCCC2)=N1	REAL300020184813	1	49	-1.0	-45.09	405.95	7.42	-37.67
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020184814	0	36	-2.0	-101.81	314.93	3.75	-98.06
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020184814	1	36	-2.0	-101.85	314.99	3.77	-98.08
O=C(C1=CC=CC(C(F)(F)F)=C1O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184814	1	37	-1.0	-47.12	315.86	3.65	-43.47
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O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300020184866	1	36	-1.0	-41.47	328.91	6.19	-35.28
CN1C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(=O)C2=CC=CC=C21	REAL300020184867	0	42	-1.0	-51.96	341.35	5.47	-46.49
CN1C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(=O)C2=CC=CC=C21	REAL300020184867	1	42	-1.0	-51.98	341.41	5.49	-46.49
O=C(C1=CC=C(SC(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184868	0	34	-1.0	-41.08	311.94	4.52	-36.56
O=C(C1=CC=C(SC(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184868	1	34	-1.0	-41.12	312.00	4.54	-36.58
O=C(C1=CC=CC(O)=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184869	0	38	-1.0	-49.41	327.86	2.52	-46.89
O=C(C1=CC=CC(O)=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184869	1	38	-1.0	-49.41	327.92	2.53	-46.88
CC(C)(C)OC(=O)CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC1	REAL300020184870	0	51	-1.0	-47.72	378.66	6.73	-40.99
CC(C)(C)OC(=O)CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC1	REAL300020184870	1	51	-1.0	-47.74	378.72	6.75	-40.99
CC(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1C=C(Br)C=N1	REAL300020184871	0	39	-1.0	-40.84	333.37	4.53	-36.31
CC(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)N1C=C(Br)C=N1	REAL300020184871	1	39	-1.0	-40.80	333.31	4.52	-36.28
CN1N=C2C=C(Br)C=CC2=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184872	0	39	-1.0	-43.01	343.95	5.14	-37.87
CN1N=C2C=C(Br)C=CC2=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184872	1	39	-1.0	-42.99	343.89	5.13	-37.86
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O=C(C1=CSC2=CC(Cl)=CN=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184873	1	35	-1.0	-49.02	319.55	4.53	-44.49
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020184874	0	56	-1.0	-46.54	412.46	6.58	-39.96
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020184874	1	56	-1.0	-46.58	412.52	6.60	-39.98
O=C(C1=CNC2=C(F)C(F)=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184875	0	39	-1.0	-46.44	337.36	4.60	-41.84
O=C(C1=CNC2=C(F)C(F)=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184875	1	39	-1.0	-46.49	337.41	4.61	-41.88
O=C(C1=CN(C2=CC=C(F)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184876	0	40	-1.0	-43.76	335.60	5.69	-38.07
O=C(C1=CN(C2=CC=C(F)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184876	1	40	-1.0	-43.76	335.55	5.68	-38.08
CCOC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1	REAL300020184877	0	45	-1.0	-41.29	344.42	5.39	-35.90
CCOC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020184877	1	45	-1.0	-41.32	344.48	5.41	-35.91
O=C(C1=CN2CCCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184878	0	41	-1.0	-45.30	318.53	5.72	-39.58
O=C(C1=CN2CCCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184878	1	41	-1.0	-45.30	318.58	5.74	-39.56
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184879	0	38	-1.0	-50.22	323.83	6.10	-44.12
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184879	1	38	-1.0	-50.23	323.89	6.11	-44.12
CC1=C([N+](=O)[O-])C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020184880	0	40	-1.0	-41.26	334.67	6.02	-35.24
CC1=C([N+](=O)[O-])C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020184880	1	40	-1.0	-41.30	334.73	6.04	-35.26
O=C(CNS(=O)(=O)C1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184881	0	40	-1.0	-48.74	343.80	-0.66	-49.40
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CCNC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020184882	0	37	-1.0	-42.90	313.54	3.17	-39.73
CCNC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020184882	1	37	-1.0	-42.91	313.48	3.15	-39.76
NC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020184883	0	36	-1.0	-41.40	301.61	2.23	-39.17
NC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020184883	1	36	-1.0	-41.40	301.55	2.21	-39.19
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O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(NC2=CC=CC=C2)CC1	REAL300020184884	1	42	-1.0	-43.49	336.02	4.99	-38.50
O=C(CC1=CC=CC(CC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184885	0	42	-1.0	-44.16	355.66	7.24	-36.92
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CN1N=C(C2CC2)N=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184886	0	42	-1.0	-51.61	344.14	4.93	-46.68
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CC1(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1(F)Cl	REAL300020184888	0	36	-1.0	-45.93	305.50	5.05	-40.88
CC1(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1(F)Cl	REAL300020184888	1	36	-1.0	-45.93	305.56	5.06	-40.87
COC1=CC=C2C(=C1)C(C(=O)N1CCC(C3=N[N-]N=N3)CC1)=C(C)N2C	REAL300020184889	0	47	-1.0	-47.18	376.61	6.08	-41.10
COC1=CC=C2C(=C1)C(C(=O)N1CCC(C3=NN=N[N-]3)CC1)=C(C)N2C	REAL300020184889	1	47	-1.0	-47.21	376.67	6.10	-41.11
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020184890	0	47	-1.0	-42.38	374.30	6.25	-36.13
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020184890	1	47	-1.0	-42.44	374.25	6.24	-36.20
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O=C(C1=NN(C2=CC(F)=CC(F)=C2)C2=C1CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184891	1	47	-1.0	-45.03	386.57	8.07	-36.96
O=C(C1=CC2=CC=CC(Cl)=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184892	0	36	-1.0	-42.62	322.98	6.30	-36.32
O=C(C1=CC2=CC=CC(Cl)=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184892	1	36	-1.0	-42.58	323.03	6.31	-36.27
O=C(C1CCC2=CC(Br)=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184893	0	40	-1.0	-42.06	338.48	7.02	-35.04
O=C(C1CCC2=CC(Br)=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184893	1	40	-1.0	-42.10	338.53	7.04	-35.06
O=C(CC1=C2C=CC=CN2N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184894	0	39	-1.0	-49.95	322.46	5.26	-44.69
O=C(CC1=C2C=CC=CN2N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184894	1	39	-1.0	-49.92	322.40	5.25	-44.67
CC1CCN2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2C1	REAL300020184895	0	43	-1.0	-44.03	336.56	4.48	-39.55
CC1CCN2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2C1	REAL300020184895	1	43	-1.0	-44.00	336.62	4.50	-39.50
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COC1=C(Br)C=CC(F)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184897	0	37	-1.0	-43.57	333.61	4.76	-38.81
COC1=C(Br)C=CC(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184897	1	37	-1.0	-43.59	333.67	4.78	-38.81
O=C(CC1=CC=C2OCCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184898	0	44	-1.0	-45.10	348.41	6.09	-39.01
O=C(CC1=CC=C2OCCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184898	1	44	-1.0	-45.11	348.47	6.11	-39.00
CSC1=CC=C(CCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020184899	0	46	-1.0	-45.27	377.82	8.07	-37.20
CSC1=CC=C(CCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020184899	1	46	-1.0	-45.26	377.87	8.09	-37.17
O=C(CN1N=NN=C1C1=CSC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184900	0	38	-1.0	-46.54	328.59	3.28	-43.26
O=C(CN1N=NN=C1C1=CSC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184900	1	38	-1.0	-46.52	328.65	3.30	-43.22
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=NN1C1=CC=C(F)C(F)=C1	REAL300020184901	0	42	-1.0	-45.29	352.01	5.30	-39.99
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=NN1C1=CC=C(F)C(F)=C1	REAL300020184901	1	42	-1.0	-45.29	352.07	5.32	-39.97
O=C(C1=COC2=CC=C(F)C=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184902	0	36	-1.0	-48.18	305.57	5.02	-43.16
O=C(C1=COC2=CC=C(F)C=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184902	1	36	-1.0	-48.21	305.63	5.03	-43.18
CC(C)CN1N=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184903	0	42	-1.0	-42.28	328.60	4.58	-37.70
CC(C)CN1N=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184903	1	42	-1.0	-42.24	328.54	4.57	-37.67
CC1=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C(Cl)C=C2C=C1	REAL300020184904	0	41	-1.0	-50.30	350.64	6.15	-44.15
CC1=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C(Cl)C=C2C=C1	REAL300020184904	1	41	-1.0	-50.31	350.70	6.16	-44.15
CCOC(=O)C1CCC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020184905	0	51	-1.0	-45.84	391.05	7.30	-38.54
CCOC(=O)C1CCC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020184905	1	51	-1.0	-45.84	391.11	7.32	-38.52
O=C(C1CCCCC1C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184906	0	46	-1.0	-40.85	333.56	6.60	-34.25
O=C(C1CCCCC1C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184906	1	46	-1.0	-40.92	333.62	6.62	-34.30
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2F)CCC1	REAL300020184907	0	43	-1.0	-46.66	334.24	6.58	-40.08
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2F)CCC1	REAL300020184907	1	43	-1.0	-46.63	334.30	6.59	-40.04
CC(C)(C)OC(=O)CCCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184908	0	47	-1.0	-48.40	366.56	6.08	-42.32
CC(C)(C)OC(=O)CCCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184908	1	47	-1.0	-48.42	366.62	6.10	-42.32
O=C(CN1C=CC2=CC=C(F)C=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184909	0	40	-1.0	-45.94	334.24	6.93	-39.01
O=C(CN1C=CC2=CC=C(F)C=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184909	1	40	-1.0	-45.99	334.29	6.95	-39.04
O=C(C1=NN2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184910	0	38	-1.0	-45.47	305.52	2.07	-43.40
O=C(C1=NN2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184910	1	38	-1.0	-45.47	305.58	2.09	-43.38
CC(C)=CCCC(C)CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184911	0	48	-1.0	-41.52	364.50	7.25	-34.27
CC(C)=CCCC(C)CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184911	1	48	-1.0	-41.57	364.56	7.27	-34.30
CC1(C)CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020184912	0	44	-1.0	-43.38	347.88	5.69	-37.69
CC1(C)CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020184912	1	44	-1.0	-43.40	347.94	5.71	-37.69
CC(C)(C)OC(=O)COCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184913	0	45	-1.0	-52.14	358.69	5.29	-46.85
CC(C)(C)OC(=O)COCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184913	1	45	-1.0	-52.15	358.74	5.31	-46.84
O=C(C1=CC(Cl)=CC=C1N1C=NC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184914	0	39	-1.0	-50.58	335.62	7.85	-42.73
O=C(C1=CC(Cl)=CC=C1N1C=NC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184914	1	39	-1.0	-50.59	335.57	7.84	-42.75
CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)N=N1	REAL300020184915	0	44	-1.0	-51.27	357.04	5.73	-45.54
CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)N=N1	REAL300020184915	1	44	-1.0	-51.31	357.10	5.75	-45.56
O=C(C1=CC=CC2=CC=NC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184916	0	38	-1.0	-48.95	309.64	4.89	-44.06
O=C(C1=CC=CC2=CC=NC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184916	1	38	-1.0	-48.98	309.58	4.87	-44.11
O=C(C1=CC2=C(Br)C=NC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020184917	0	35	-1.0	-42.11	321.88	4.60	-37.51
O=C(C1=CC2=C(Br)C=NC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020184917	1	35	-1.0	-42.15	321.83	4.59	-37.56
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CC(C)C1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CCCCC2)C=C1	REAL300020185129	1	58	-1.0	-43.10	414.95	9.45	-33.65
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CN1N=CC(C2CC2)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185132	0	40	-1.0	-42.27	327.65	4.45	-37.82
CN1N=CC(C2CC2)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185132	1	40	-1.0	-42.22	327.59	4.43	-37.79
CC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC(F)(F)F	REAL300020185133	0	44	-1.0	-42.33	369.46	6.49	-35.84
CC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC(F)(F)F	REAL300020185133	1	44	-1.0	-42.35	369.51	6.51	-35.84
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=C1	REAL300020185134	0	52	-1.0	-47.51	403.79	8.37	-39.14
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=C1	REAL300020185134	1	52	-1.0	-47.51	403.85	8.38	-39.13
COC1=NOC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185135	0	39	-1.0	-43.35	324.02	1.85	-41.50
COC1=NOC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185135	1	39	-1.0	-43.38	324.08	1.86	-41.52
O=C(C1=C(Cl)C=CC=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185136	0	33	-1.0	-43.93	310.09	5.57	-38.36
O=C(C1=C(Cl)C=CC=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185136	1	33	-1.0	-43.97	310.15	5.58	-38.39
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC=CC1	REAL300020185137	0	49	-1.0	-41.17	365.12	6.26	-34.91
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC=CC1	REAL300020185137	1	49	-1.0	-41.22	365.18	6.27	-34.95
CC(C)(C)OC(=O)C(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL300020185138	0	53	-1.0	-46.93	385.68	7.53	-39.40
CC(C)(C)OC(=O)C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL300020185138	1	53	-1.0	-47.00	385.74	7.55	-39.45
CC(C)(C)OC(=O)C(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC1	REAL300020185139	0	48	-1.0	-47.17	368.44	7.29	-39.88
CC(C)(C)OC(=O)C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC1	REAL300020185139	1	48	-1.0	-47.16	368.50	7.31	-39.85
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC2CCC1C2	REAL300020185140	0	55	-1.0	-40.41	396.91	7.36	-33.05
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC2CCC1C2	REAL300020185140	1	55	-1.0	-40.41	396.97	7.37	-33.04
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020185141	0	54	-1.0	-43.58	405.54	7.57	-36.01
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020185141	1	54	-1.0	-43.51	405.60	7.58	-35.93
C=C(C)CC(NC(C)=O)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185142	0	43	-1.0	-47.75	338.32	3.90	-43.85
C=C(C)CC(NC(C)=O)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185142	1	43	-1.0	-47.74	338.37	3.91	-43.83
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1(Br)Br	REAL300020185143	0	33	-1.0	-40.90	299.32	4.73	-36.17
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1(Br)Br	REAL300020185143	1	33	-1.0	-40.93	299.37	4.75	-36.18
COC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC(F)(F)CC1	REAL300020185144	0	43	-1.0	-38.91	321.85	3.77	-35.14
COC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC(F)(F)CC1	REAL300020185144	1	43	-1.0	-38.95	321.91	3.79	-35.16
CN1C=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C1=CC=CC=C1	REAL300020185145	0	44	-1.0	-48.41	351.59	7.31	-41.10
CN1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C1=CC=CC=C1	REAL300020185145	1	44	-1.0	-48.44	351.65	7.32	-41.12
CCCCCC1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185146	0	45	-1.0	-41.83	356.61	4.95	-36.88
CCCCCC1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185146	1	45	-1.0	-41.84	356.67	4.97	-36.87
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185147	0	43	-1.0	-43.20	335.06	2.91	-40.29
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185147	1	43	-1.0	-43.14	335.12	2.93	-40.21
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)N1C1CCOCC1	REAL300020185148	0	51	-1.0	-44.33	381.83	5.74	-38.59
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)N1C1CCOCC1	REAL300020185148	1	51	-1.0	-44.28	381.89	5.76	-38.52
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185149	0	39	-1.0	-40.90	332.36	5.72	-35.18
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185149	1	39	-1.0	-40.88	332.30	5.70	-35.18
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(NCC(F)(F)F)=N1	REAL300020185150	0	43	-1.0	-42.88	362.76	4.19	-38.69
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(NCC(F)(F)F)=N1	REAL300020185150	1	43	-1.0	-42.90	362.82	4.21	-38.69
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020185151	0	37	-1.0	-43.60	315.10	4.74	-38.86
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020185151	1	37	-1.0	-43.64	315.16	4.76	-38.88
CC1(C)CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)(C)C1	REAL300020185152	0	51	-1.0	-41.30	367.02	6.79	-34.51
CC1(C)CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)(C)C1	REAL300020185152	1	51	-1.0	-41.33	367.08	6.80	-34.53
O=C(CN1C=C(C2CC2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185153	0	40	-1.0	-50.33	326.23	4.98	-45.35
O=C(CN1C=C(C2CC2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185153	1	40	-1.0	-50.30	326.18	4.96	-45.34
O=C(C1=CC=CC2=C1COCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185154	0	41	-1.0	-45.89	322.57	4.53	-41.36
O=C(C1=CC=CC2=C1COCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185154	1	41	-1.0	-45.87	322.62	4.55	-41.32
CC(C)(C)N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Br	REAL300020185155	0	42	-1.0	-43.81	345.55	4.43	-39.38
CC(C)(C)N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Br	REAL300020185155	1	42	-1.0	-43.82	345.49	4.42	-39.40
CC1=CC(F)=CC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185156	0	39	-1.0	-40.56	319.66	5.76	-34.80
CC1=CC(F)=CC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185156	1	39	-1.0	-40.55	319.71	5.77	-34.78
CN1N=CC(C2CCC2)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185157	0	43	-1.0	-42.62	344.00	4.96	-37.66
CN1N=CC(C2CCC2)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185157	1	43	-1.0	-42.57	343.95	4.95	-37.62
C[C@@H](C(=O)N1CCC(C2=N[N-]N=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300020185158	0	49	-1.0	-46.39	371.11	4.54	-41.85
C[C@@H](C(=O)N1CCC(C2=NN=N[N-]2)CC1)N(C)C(=O)OC(C)(C)C	REAL300020185158	1	49	-1.0	-46.38	371.16	4.55	-41.83
COC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)O1	REAL300020185159	0	39	-1.0	-42.01	328.65	4.12	-37.89
COC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)O1	REAL300020185159	1	39	-1.0	-42.03	328.71	4.13	-37.90
O=C(C(CO)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185160	0	40	-1.0	-43.24	321.06	2.48	-40.76
O=C(C(CO)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185160	1	40	-1.0	-43.24	321.12	2.50	-40.74
O=C(C1CC[N@@H+]1C1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185161	0	46	0.0	-60.13	341.15	6.03	-54.10
O=C(C1CC[N@H+]1C1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185161	1	46	0.0	-58.70	334.27	5.55	-53.15
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185162	0	32	-1.0	-39.68	301.28	4.55	-35.13
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185162	1	32	-1.0	-39.68	301.23	4.54	-35.14
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185163	0	40	-1.0	-49.08	330.47	0.77	-48.31
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185163	1	40	-1.0	-49.07	330.53	0.78	-48.29
O=C(CC1=CN=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185164	0	41	-1.0	-47.58	332.67	5.84	-41.74
O=C(CC1=CN=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185164	1	41	-1.0	-47.61	332.61	5.82	-41.79
CC(=CC(=O)N1CCC(C2=N[N-]N=N2)CC1)CN1CCOCC1	REAL300020185165	0	46	-1.0	-41.83	351.30	2.18	-39.65
CC(=CC(=O)N1CCC(C2=NN=N[N-]2)CC1)CN1CCOCC1	REAL300020185165	1	46	-1.0	-41.84	351.36	2.20	-39.64
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185166	0	35	-1.0	-44.80	303.44	-0.49	-45.29
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185166	1	35	-1.0	-44.77	303.50	-0.47	-45.24
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185167	0	36	-1.0	-50.93	310.74	3.57	-47.36
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185167	1	36	-1.0	-50.97	310.80	3.59	-47.38
CN(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C(F)(F)F)=C1	REAL300020185168	0	44	-1.0	-41.71	358.53	5.76	-35.95
CN(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C(F)(F)F)=C1	REAL300020185168	1	44	-1.0	-41.76	358.59	5.77	-35.99
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185169	0	37	-1.0	-42.90	325.09	5.84	-37.06
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185169	1	37	-1.0	-42.93	325.14	5.86	-37.07
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(SCC(C)C)=N1	REAL300020185170	0	48	-1.0	-44.84	404.40	6.67	-38.17
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(SCC(C)C)=N1	REAL300020185170	1	48	-1.0	-44.84	404.46	6.69	-38.15
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)NC2=CC=C1Br	REAL300020185171	0	40	-1.0	-42.51	339.54	6.05	-36.46
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)NC2=CC=C1Br	REAL300020185171	1	40	-1.0	-42.53	339.60	6.07	-36.46
COC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185172	0	40	-1.0	-45.96	325.67	5.06	-40.90
COC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185172	1	40	-1.0	-46.00	325.73	5.07	-40.93
CC1=NNC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C12	REAL300020185173	0	39	-1.0	-44.16	319.07	3.74	-40.42
CC1=NNC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C12	REAL300020185173	1	39	-1.0	-44.21	319.13	3.76	-40.45
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185174	0	38	-1.0	-49.07	320.90	5.05	-44.02
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185174	1	38	-1.0	-49.01	320.84	5.03	-43.98
NC(=O)N=NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185175	0	39	-1.0	-48.47	329.89	-0.45	-48.92
NC(=O)N=NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185175	1	39	-1.0	-48.50	329.95	-0.43	-48.93
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O=C(C1=CNC(=S)N1C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185176	1	38	-1.0	-44.65	320.47	4.82	-39.83
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185177	0	43	-1.0	-45.91	355.91	4.22	-41.69
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185177	1	43	-1.0	-45.84	355.97	4.23	-41.61
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185178	0	38	-1.0	-45.73	322.11	2.36	-43.37
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185178	1	38	-1.0	-45.73	322.05	2.34	-43.39
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185179	0	43	-1.0	-45.20	370.20	4.74	-40.46
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185179	1	43	-1.0	-45.14	370.26	4.76	-40.38
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185180	0	52	-1.0	-52.70	409.48	7.29	-45.41
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185180	1	52	-1.0	-52.68	409.53	7.30	-45.38
COCCCN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC1=O	REAL300020185181	0	45	-1.0	-44.54	366.68	2.79	-41.75
COCCCN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC1=O	REAL300020185181	1	45	-1.0	-44.52	366.74	2.80	-41.72
CC(C)(C)N1C=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020185182	0	42	-1.0	-44.70	351.58	5.46	-39.24
CC(C)(C)N1C=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020185182	1	42	-1.0	-44.71	351.52	5.45	-39.26
O=C(C1=C2C=CSC2=NC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185183	0	34	-1.0	-42.52	295.90	4.43	-38.09
O=C(C1=C2C=CSC2=NC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185183	1	34	-1.0	-42.47	295.84	4.42	-38.05
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185184	0	50	-1.0	-40.27	359.91	5.34	-34.93
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185184	1	50	-1.0	-40.26	359.97	5.36	-34.90
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185185	0	35	-1.0	-51.62	296.32	1.92	-49.70
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185185	1	35	-1.0	-51.60	296.27	1.91	-49.69
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185186	0	61	-1.0	-46.31	454.12	5.70	-40.61
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185186	1	61	-1.0	-46.34	454.18	5.71	-40.63
CC(C)(C)OC(=O)CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCOCC1	REAL300020185187	0	55	-1.0	-46.58	393.55	5.46	-41.12
CC(C)(C)OC(=O)CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCOCC1	REAL300020185187	1	55	-1.0	-46.62	393.61	5.47	-41.15
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020185188	0	47	-1.0	-45.45	374.43	5.91	-39.54
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020185188	1	47	-1.0	-45.53	374.48	5.92	-39.61
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185189	0	52	-1.0	-46.36	411.21	7.34	-39.02
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185189	1	52	-1.0	-46.36	411.26	7.36	-39.00
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185190	0	57	-1.0	-49.59	423.23	6.71	-42.88
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185190	1	57	-1.0	-49.61	423.30	6.71	-42.90
CC1=NN(C(C)CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185191	0	42	-1.0	-45.44	333.57	4.49	-40.95
CC1=NN(C(C)CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185191	1	42	-1.0	-45.44	333.63	4.50	-40.94
O=C(CCCC1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185192	0	41	-1.0	-46.49	332.49	5.28	-41.21
O=C(CCCC1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185192	1	41	-1.0	-46.48	332.43	5.27	-41.21
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C(F)(F)F	REAL300020185193	0	40	-1.0	-43.30	336.80	4.83	-38.47
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C(F)(F)F	REAL300020185193	1	40	-1.0	-43.32	336.86	4.84	-38.48
CC(C)(C)N1N=NC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020185194	0	43	-1.0	-50.34	348.06	3.05	-47.29
CC(C)(C)N1N=NC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020185194	1	43	-1.0	-50.33	348.12	3.06	-47.27
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CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185196	0	41	-1.0	-40.89	342.61	4.49	-36.40
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185196	1	41	-1.0	-40.91	342.66	4.50	-36.41
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185197	0	36	-1.0	-41.64	323.37	6.30	-35.34
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185197	1	36	-1.0	-41.61	323.43	6.32	-35.29
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185198	0	44	-1.0	-44.70	351.32	6.06	-38.64
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185198	1	44	-1.0	-44.71	351.37	6.08	-38.63
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185199	0	42	-1.0	-47.16	349.12	6.05	-41.11
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185199	1	42	-1.0	-47.19	349.18	6.06	-41.13
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185200	0	52	-1.0	-43.08	396.51	9.26	-33.82
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185200	1	52	-1.0	-43.12	396.57	9.27	-33.85
COCC1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185201	0	39	-1.0	-43.74	319.87	2.30	-41.44
COCC1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185201	1	39	-1.0	-43.71	319.81	2.28	-41.43
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C(F)(F)F)CCCCC1	REAL300020185202	0	42	-1.0	-37.97	309.94	5.04	-32.93
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C(F)(F)F)CCCCC1	REAL300020185202	1	42	-1.0	-37.97	310.01	5.06	-32.91
CN(C)C(=O)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020185203	0	49	-1.0	-47.56	367.40	4.71	-42.85
CN(C)C(=O)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020185203	1	49	-1.0	-47.54	367.46	4.72	-42.82
CC1=C(Br)C=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185204	0	35	-1.0	-40.74	303.64	3.76	-36.98
CC1=C(Br)C=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185204	1	35	-1.0	-40.74	303.70	3.77	-36.97
CC(C)[C@@H](C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CC2=CC=CC=C2C1=O	REAL300020185205	0	50	-1.0	-57.45	379.89	8.35	-49.10
CC(C)[C@@H](C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CC2=CC=CC=C2C1=O	REAL300020185205	1	50	-1.0	-57.46	379.95	8.37	-49.09
COC1=CC=C(OC(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185206	0	47	-1.0	-44.94	351.28	4.87	-40.07
COC1=CC=C(OC(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185206	1	47	-1.0	-44.95	351.33	4.89	-40.06
CC(C)CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300020185207	0	48	-1.0	-40.57	382.99	8.20	-32.37
CC(C)CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300020185207	1	48	-1.0	-40.56	383.04	8.22	-32.34
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185208	0	43	-1.0	-47.32	368.55	4.64	-42.68
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185208	1	43	-1.0	-47.35	368.61	4.65	-42.70
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020185209	0	46	-1.0	-47.07	365.11	4.70	-42.37
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020185209	1	46	-1.0	-47.07	365.17	4.72	-42.35
O=C(CC1=C(Cl)C=CC=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185210	0	36	-1.0	-42.94	326.79	6.39	-36.55
O=C(CC1=C(Cl)C=CC=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185210	1	36	-1.0	-42.97	326.85	6.40	-36.57
COC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020185211	0	40	-1.0	-44.82	337.74	5.23	-39.59
COC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020185211	1	40	-1.0	-44.84	337.80	5.25	-39.59
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185212	0	43	-1.0	-42.35	342.07	6.15	-36.20
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185212	1	43	-1.0	-42.34	342.12	6.16	-36.18
CCC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300020185213	0	52	-1.0	-45.80	391.28	5.57	-40.23
CCC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)N(C)C(=O)OC(C)(C)C	REAL300020185213	1	52	-1.0	-45.77	391.34	5.58	-40.19
O=C(CCC1CC1(Cl)Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185214	0	36	-1.0	-43.43	320.89	5.86	-37.57
O=C(CCC1CC1(Cl)Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185214	1	36	-1.0	-43.44	320.95	5.88	-37.56
O=C(C(CC1COCCO1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185215	0	44	-1.0	-45.55	348.32	3.37	-42.18
O=C(C(CC1COCCO1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185215	1	44	-1.0	-45.56	348.38	3.39	-42.17
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185216	0	43	-1.0	-41.26	355.75	5.46	-35.80
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185216	1	43	-1.0	-41.24	355.81	5.48	-35.76
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185217	0	46	-1.0	-43.36	357.07	3.62	-39.74
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185217	1	46	-1.0	-43.38	357.13	3.63	-39.75
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185218	0	53	-1.0	-49.85	404.36	5.57	-44.28
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185218	1	53	-1.0	-49.82	404.42	5.58	-44.24
O=C(CC1=CC=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185219	0	36	-1.0	-42.43	321.42	6.10	-36.33
O=C(CC1=CC=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185219	1	36	-1.0	-42.42	321.47	6.12	-36.30
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185220	0	39	-1.0	-51.88	330.18	4.48	-47.40
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185220	1	39	-1.0	-51.91	330.12	4.46	-47.45
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(N2C=NN=N2)CCOCC1	REAL300020185221	0	42	-1.0	-45.28	320.91	2.43	-42.85
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(N2C=NN=N2)CCOCC1	REAL300020185221	1	42	-1.0	-45.28	320.85	2.42	-42.86
CC(C)N(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300020185222	0	52	-1.0	-45.60	393.53	6.06	-39.54
CC(C)N(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300020185222	1	52	-1.0	-45.53	393.58	6.08	-39.45
CC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC(C)C	REAL300020185223	0	48	-1.0	-46.79	376.74	6.94	-39.85
CC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC(C)C	REAL300020185223	1	48	-1.0	-46.79	376.80	6.95	-39.84
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020185224	0	52	0.0	-69.39	396.08	5.93	-63.46
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020185224	1	52	0.0	-65.82	381.80	5.67	-60.15
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020185224	1	52	0.0	-69.34	396.02	5.92	-63.42
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020185224	1	52	0.0	-65.81	381.74	5.65	-60.16
CC(C)[N@@H+]1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2=CN(C)N=C2)C1	REAL300020185225	0	58	0.0	-73.78	423.48	6.63	-67.15
CC(C)[N@H+]1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2=CN(C)N=C2)C1	REAL300020185225	1	58	0.0	-69.06	423.74	6.60	-62.46
CC(C)[N@@H+]1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2=CN(C)N=C2)C1	REAL300020185225	1	58	0.0	-73.75	423.42	6.61	-67.14
CC(C)[N@H+]1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2=CN(C)N=C2)C1	REAL300020185225	1	58	0.0	-69.02	423.69	6.59	-62.43
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1CC1=CC=CC=C1	REAL300020185226	0	45	-1.0	-44.45	366.82	5.02	-39.43
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1CC1=CC=CC=C1	REAL300020185226	1	45	-1.0	-44.42	366.76	5.00	-39.42
O=C(C1=C2CCCCN2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185227	0	41	-1.0	-46.16	319.22	5.79	-40.37
O=C(C1=C2CCCCN2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185227	1	41	-1.0	-46.15	319.28	5.81	-40.34
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300020185228	0	46	-1.0	-48.10	370.85	7.62	-40.48
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300020185228	1	46	-1.0	-48.09	370.79	7.60	-40.49
CCNC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020185229	0	37	-1.0	-43.62	313.34	2.43	-41.19
CCNC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020185229	1	37	-1.0	-43.56	313.28	2.42	-41.14
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=C(Br)C=C1	REAL300020185230	0	36	-1.0	-39.46	323.27	6.04	-33.42
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC=C(Br)C=C1	REAL300020185230	1	36	-1.0	-39.50	323.32	6.06	-33.44
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185231	0	43	-1.0	-43.09	339.63	7.29	-35.80
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185231	1	43	-1.0	-43.12	339.68	7.30	-35.82
O=C(C1CC2=CC=CC=C2CO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185232	0	41	-1.0	-44.76	322.39	5.75	-39.01
O=C(C1CC2=CC=CC=C2CO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185232	1	41	-1.0	-44.76	322.45	5.76	-39.00
COC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300020185233	0	46	-1.0	-44.44	339.82	5.43	-39.01
COC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020185233	1	46	-1.0	-44.45	339.88	5.45	-39.00
CC1CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020185234	0	41	-1.0	-43.92	326.01	5.02	-38.90
CC1CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020185234	1	41	-1.0	-43.94	326.07	5.03	-38.91
O=C(C1CC2(C1)CCCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185235	0	46	-1.0	-41.57	340.25	6.61	-34.96
O=C(C1CC2(C1)CCCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185235	1	46	-1.0	-41.58	340.31	6.62	-34.96
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185236	0	39	-1.0	-43.67	332.26	7.23	-36.44
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185236	1	39	-1.0	-43.67	332.32	7.25	-36.42
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185237	0	39	-1.0	-59.43	342.75	6.25	-53.18
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185237	1	39	-1.0	-59.43	342.69	6.24	-53.19
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)N1C1=CN(C)N=C1	REAL300020185238	0	47	-1.0	-47.16	380.85	6.30	-40.86
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)N1C1=CN(C)N=C1	REAL300020185238	1	47	-1.0	-47.13	380.80	6.29	-40.84
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020185239	0	42	-1.0	-45.18	366.13	5.81	-39.37
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020185239	1	42	-1.0	-45.23	366.08	5.80	-39.43
COCC1=CSC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185240	0	37	-1.0	-44.05	314.56	3.11	-40.94
COCC1=CSC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185240	1	37	-1.0	-44.08	314.61	3.12	-40.96
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185241	0	46	0.0	-62.25	356.34	5.60	-56.65
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185241	1	46	0.0	-62.26	356.40	5.61	-56.65
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185242	0	47	-1.0	-47.34	381.90	5.22	-42.12
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185242	1	47	-1.0	-47.34	381.84	5.21	-42.13
NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(Br)=N1	REAL300020185243	0	34	-1.0	-41.71	300.52	1.91	-39.80
NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(Br)=N1	REAL300020185243	1	34	-1.0	-41.67	300.46	1.90	-39.77
O=C(C1=NOC2=C1COCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185244	0	37	-1.0	-43.29	298.89	2.60	-40.69
O=C(C1=NOC2=C1COCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185244	1	37	-1.0	-43.29	298.95	2.62	-40.67
CC1=CN2C=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC2=N1	REAL300020185245	0	39	-1.0	-45.12	323.11	5.76	-39.36
CC1=CN2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC2=N1	REAL300020185245	1	39	-1.0	-45.14	323.17	5.77	-39.37
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185246	0	47	-1.0	-49.85	385.68	9.00	-40.85
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185246	1	47	-1.0	-49.86	385.74	9.01	-40.85
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CNC2=C1	REAL300020185247	0	47	-1.0	-53.74	382.99	4.34	-49.40
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CNC2=C1	REAL300020185247	1	47	-1.0	-53.81	383.04	4.35	-49.46
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185248	0	41	-1.0	-51.32	334.40	3.25	-48.07
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185248	1	41	-1.0	-51.35	334.46	3.26	-48.09
CNC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020185249	0	38	-1.0	-45.48	310.24	3.32	-42.16
CNC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020185249	1	38	-1.0	-45.47	310.30	3.34	-42.13
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300020185250	0	56	-1.0	-48.72	420.86	4.42	-44.30
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300020185250	1	56	-1.0	-48.74	420.91	4.44	-44.30
O=C(C1CCC2C(C1)C2(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185251	0	40	-1.0	-43.21	311.76	5.50	-37.71
O=C(C1CCC2C(C1)C2(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185251	1	40	-1.0	-43.21	311.81	5.51	-37.70
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185252	0	44	-1.0	-49.54	349.32	1.22	-48.32
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185252	1	44	-1.0	-49.55	349.38	1.24	-48.31
COC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC(F)F	REAL300020185253	0	44	-1.0	-50.10	363.20	4.95	-45.15
COC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC(F)F	REAL300020185253	1	44	-1.0	-50.09	363.26	4.96	-45.13
CC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Br	REAL300020185254	0	39	-1.0	-42.59	331.07	6.53	-36.06
CC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Br	REAL300020185254	1	39	-1.0	-42.60	331.13	6.55	-36.05
O=C(C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)N1CCOCC1	REAL300020185255	0	48	-1.0	-47.86	372.19	3.81	-44.05
O=C(C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)N1CCOCC1	REAL300020185255	1	48	-1.0	-47.89	372.25	3.82	-44.07
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185256	0	42	-1.0	-54.10	348.21	4.90	-49.20
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185256	1	42	-1.0	-54.06	348.15	4.88	-49.18
CC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC=C1Cl	REAL300020185257	0	38	-1.0	-47.87	323.93	4.95	-42.92
CC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC=C1Cl	REAL300020185257	1	38	-1.0	-47.89	323.99	4.96	-42.93
NC1=C(Cl)C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020185258	0	35	-1.0	-41.48	313.61	3.46	-38.02
NC1=C(Cl)C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020185258	1	35	-1.0	-41.53	313.66	3.47	-38.06
CCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC(F)(F)CC1	REAL300020185259	0	45	-1.0	-40.89	325.62	5.39	-35.50
CCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC(F)(F)CC1	REAL300020185259	1	45	-1.0	-40.92	325.69	5.42	-35.50
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185260	0	36	-1.0	-38.91	316.95	3.34	-35.57
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185260	1	36	-1.0	-38.93	316.89	3.32	-35.61
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185261	0	45	-1.0	-42.33	336.28	4.96	-37.37
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185261	1	45	-1.0	-42.36	336.34	4.97	-37.39
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C(F)(F)F)CCOCC1	REAL300020185262	0	40	-1.0	-37.72	301.52	2.69	-35.03
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C(F)(F)F)CCOCC1	REAL300020185262	1	40	-1.0	-37.77	301.58	2.71	-35.06
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185263	0	36	-1.0	-42.05	323.98	5.90	-36.15
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185263	1	36	-1.0	-42.10	324.03	5.91	-36.19
CSCC[C@H](NC(N)=O)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185264	0	42	-1.0	-56.49	342.03	1.02	-55.47
CSCC[C@H](NC(N)=O)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185264	1	42	-1.0	-56.51	342.09	1.03	-55.48
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300020185265	0	46	-1.0	-40.11	352.54	7.53	-32.58
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300020185265	1	46	-1.0	-40.14	352.60	7.54	-32.60
CCCCCCCCCCCCC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185266	0	68	-1.0	-41.10	493.14	11.38	-29.72
CCCCCCCCCCCCC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185266	1	68	-1.0	-41.12	493.19	11.40	-29.72
CCN1C(=O)NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020185267	0	43	-1.0	-48.71	349.71	4.23	-44.48
CCN1C(=O)NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020185267	1	43	-1.0	-48.75	349.77	4.25	-44.50
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185268	0	44	-1.0	-47.34	355.25	4.90	-42.44
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185268	1	44	-1.0	-47.30	355.31	4.92	-42.38
CC1(C)CCCC(O)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185269	0	46	-1.0	-40.36	326.54	3.26	-37.10
CC1(C)CCCC(O)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185269	1	46	-1.0	-40.34	326.59	3.27	-37.07
COC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020185270	0	44	-1.0	-47.69	343.28	3.55	-44.14
COC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020185270	1	44	-1.0	-47.71	343.34	3.56	-44.15
O=C(CCC1=CC=CN=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185271	0	38	-1.0	-43.42	323.84	4.79	-38.63
O=C(CCC1=CC=CN=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185271	1	38	-1.0	-43.42	323.79	4.78	-38.64
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185272	0	56	-1.0	-42.89	412.18	6.61	-36.28
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185272	1	56	-1.0	-42.90	412.22	6.62	-36.28
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185273	0	45	-1.0	-48.23	383.91	6.68	-41.55
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185273	1	45	-1.0	-48.16	383.85	6.67	-41.49
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185274	0	56	-1.0	-43.46	430.08	3.02	-40.44
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185274	1	56	-1.0	-43.44	430.14	3.03	-40.41
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020185275	0	52	-1.0	-52.41	416.12	1.96	-50.45
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=N1	REAL300020185275	1	52	-1.0	-52.39	416.06	1.95	-50.44
CN1C(=O)CO[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@H]1C1=CC=CN=C1	REAL300020185276	0	47	-1.0	-40.91	361.56	2.46	-38.45
CN1C(=O)CO[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@H]1C1=CC=CN=C1	REAL300020185276	1	47	-1.0	-40.88	361.50	2.44	-38.44
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O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185376	1	42	-1.0	-59.99	323.21	3.67	-56.32
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020185377	0	39	-2.0	-89.14	337.61	0.42	-88.72
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020185377	1	39	-2.0	-89.20	337.55	0.40	-88.80
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020185377	1	40	-1.0	-49.45	337.68	0.55	-48.90
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020185377	1	40	-1.0	-49.50	337.62	0.54	-48.96
O=C(CN1C=CC(C(F)F)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185378	0	36	-1.0	-53.94	309.53	3.69	-50.25
O=C(CN1C=CC(C(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185378	1	36	-1.0	-53.96	309.59	3.70	-50.26
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185379	0	39	-1.0	-47.27	324.85	3.76	-43.51
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185379	1	39	-1.0	-47.22	324.91	3.77	-43.45
CC1=CN2C=CN=C2C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185380	0	39	-1.0	-48.39	322.53	5.86	-42.53
CC1=CN2C=CN=C2C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185380	1	39	-1.0	-48.40	322.59	5.88	-42.52
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185381	0	36	-1.0	-41.39	325.36	4.61	-36.78
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185381	1	36	-1.0	-41.37	325.30	4.60	-36.77
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185382	0	44	-1.0	-42.90	348.31	3.70	-39.20
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185382	1	44	-1.0	-42.87	348.25	3.68	-39.19
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185383	0	39	-1.0	-46.56	356.65	6.63	-39.93
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185383	1	39	-1.0	-46.56	356.60	6.61	-39.95
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185384	0	50	-1.0	-43.80	386.85	3.54	-40.26
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185384	1	50	-1.0	-43.80	386.91	3.55	-40.25
CC1=CC=C(COCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185385	0	43	-1.0	-46.65	350.58	6.55	-40.10
CC1=CC=C(COCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185385	1	43	-1.0	-46.71	350.64	6.56	-40.15
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185386	0	36	-1.0	-42.64	315.41	3.69	-38.95
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185386	1	36	-1.0	-42.63	315.47	3.70	-38.93
O=C(C1=CC(C(F)F)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185387	0	36	-1.0	-46.16	308.91	5.38	-40.78
O=C(C1=CC(C(F)F)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185387	1	36	-1.0	-46.17	308.96	5.40	-40.77
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185388	0	47	-1.0	-46.88	364.46	5.41	-41.47
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185388	1	47	-1.0	-46.90	364.52	5.43	-41.47
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185389	0	40	-1.0	-47.25	336.39	5.57	-41.68
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185389	1	40	-1.0	-47.23	336.33	5.55	-41.68
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185390	0	35	-1.0	-44.71	316.19	4.45	-40.26
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185390	1	35	-1.0	-44.72	316.14	4.44	-40.28
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185391	0	61	0.0	-70.84	450.39	9.99	-60.85
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185391	1	61	0.0	-71.92	450.69	10.02	-61.90
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185391	1	61	0.0	-70.87	450.45	10.00	-60.87
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185391	1	61	0.0	-71.94	450.75	10.03	-61.91
COC1=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1O	REAL300020185392	0	48	-1.0	-46.10	385.57	3.28	-42.82
COC1=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1O	REAL300020185392	1	48	-1.0	-46.09	385.63	3.29	-42.80
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185393	0	43	-1.0	-46.14	352.10	4.71	-41.43
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185393	1	43	-1.0	-46.17	352.16	4.73	-41.44
COC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020185394	0	40	-1.0	-44.92	317.44	4.41	-40.51
COC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020185394	1	40	-1.0	-44.94	317.50	4.43	-40.51
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185395	0	49	-1.0	-45.92	392.17	8.08	-37.84
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185395	1	49	-1.0	-45.94	392.23	8.09	-37.85
CCC1=CNC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185396	0	39	-1.0	-50.25	316.46	2.87	-47.38
CCC1=CNC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185396	1	39	-1.0	-50.25	316.52	2.89	-47.36
O=C(C(O)CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185397	0	40	-1.0	-43.19	321.62	3.90	-39.29
O=C(C(O)CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185397	1	40	-1.0	-43.22	321.68	3.92	-39.30
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185398	0	58	0.0	-71.96	432.87	9.46	-62.50
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185398	1	58	0.0	-69.87	436.40	9.68	-60.19
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185398	1	58	0.0	-71.96	432.93	9.47	-62.49
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185398	1	58	0.0	-69.86	436.46	9.69	-60.17
CC1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020185399	0	36	-1.0	-45.84	308.24	5.37	-40.47
CC1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020185399	1	36	-1.0	-45.83	308.29	5.39	-40.44
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185400	0	43	-1.0	-42.51	360.53	4.71	-37.80
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185400	1	43	-1.0	-42.51	360.48	4.70	-37.81
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185401	0	45	-1.0	-43.66	348.32	4.94	-38.72
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185401	1	45	-1.0	-43.65	348.38	4.96	-38.69
COC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1OC(C)C	REAL300020185402	0	47	-1.0	-48.03	368.40	6.25	-41.78
COC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1OC(C)C	REAL300020185402	1	47	-1.0	-48.01	368.45	6.27	-41.74
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185403	0	36	-1.0	-45.92	320.22	4.72	-41.20
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185403	1	36	-1.0	-45.93	320.17	4.71	-41.22
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185404	0	43	-1.0	-45.32	361.05	4.64	-40.68
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185404	1	43	-1.0	-45.26	360.99	4.63	-40.63
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185405	0	44	-1.0	-48.66	353.12	4.84	-43.82
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185405	1	44	-1.0	-48.64	353.18	4.85	-43.79
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185406	0	44	-1.0	-48.28	355.00	4.90	-43.38
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185406	1	44	-1.0	-48.25	355.06	4.92	-43.33
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185407	0	37	-1.0	-45.85	307.75	2.14	-43.71
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185407	1	37	-1.0	-45.86	307.80	2.16	-43.70
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185408	0	39	-1.0	-44.89	342.36	6.14	-38.75
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185408	1	39	-1.0	-44.88	342.30	6.12	-38.76
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCC(C4=N[N-]N=N4)CC3)[C@@H]2C1	REAL300020185409	0	54	-1.0	-45.20	408.87	5.84	-39.36
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCC(C4=NN=N[N-]4)CC3)[C@@H]2C1	REAL300020185409	1	54	-1.0	-45.21	408.93	5.85	-39.36
COC(=O)C=CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020185410	0	40	-1.0	-43.50	341.98	4.99	-38.51
COC(=O)C=CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020185410	1	40	-1.0	-43.49	342.04	5.01	-38.48
CC(C)(C)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185411	0	49	-1.0	-42.80	379.59	8.26	-34.54
CC(C)(C)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185411	1	49	-1.0	-42.85	379.65	8.28	-34.57
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185412	0	33	-1.0	-43.75	302.15	5.12	-38.63
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185412	1	33	-1.0	-43.80	302.21	5.14	-38.66
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185413	0	59	-1.0	-45.03	439.89	7.08	-37.95
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185413	1	59	-1.0	-45.04	439.95	7.10	-37.94
CCN1N=CC(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185414	0	36	-1.0	-39.28	314.94	3.69	-35.59
CCN1N=CC(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185414	1	36	-1.0	-39.26	314.88	3.68	-35.58
COC(=O)C1=C(C)C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020185415	0	39	-1.0	-40.96	326.26	4.20	-36.76
COC(=O)C1=C(C)C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020185415	1	39	-1.0	-40.99	326.32	4.21	-36.78
COC(=O)C1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020185416	0	39	-1.0	-51.59	331.71	3.56	-48.03
COC(=O)C1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020185416	1	39	-1.0	-51.54	331.66	3.54	-48.00
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185417	0	58	-1.0	-42.18	430.04	4.74	-37.44
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185417	1	58	-1.0	-42.20	430.10	4.75	-37.45
C[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300020185418	0	49	-1.0	-49.03	380.51	3.51	-45.52
C[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC(=O)OC(C)(C)C	REAL300020185418	1	49	-1.0	-49.04	380.57	3.53	-45.51
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185419	0	51	-1.0	-45.31	391.29	3.86	-41.45
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185419	1	51	-1.0	-45.36	391.35	3.88	-41.48
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2=CC=CO2)=N1	REAL300020185420	0	40	-1.0	-52.32	335.34	4.50	-47.82
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2=CC=CO2)=N1	REAL300020185420	1	40	-1.0	-52.28	335.28	4.48	-47.80
NC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020185421	0	38	-1.0	-44.78	326.07	1.01	-43.77
NC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020185421	1	38	-1.0	-44.78	326.12	1.03	-43.75
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)OC(S(N)(=O)=O)=C1	REAL300020185422	0	38	-1.0	-48.78	325.67	-1.61	-50.39
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)OC(S(N)(=O)=O)=C1	REAL300020185422	1	38	-1.0	-48.78	325.72	-1.59	-50.37
CSC1=CC=C(O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185423	0	38	-1.0	-44.61	321.17	2.91	-41.70
CSC1=CC=C(O)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185423	1	38	-1.0	-44.63	321.22	2.93	-41.70
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185424	0	57	-1.0	-50.48	424.11	4.78	-45.70
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185424	1	57	-1.0	-50.53	424.17	4.79	-45.74
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185425	0	51	-1.0	-53.29	388.64	6.47	-46.82
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185425	1	51	-1.0	-53.26	388.70	6.49	-46.77
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020185426	0	43	-1.0	-53.65	359.14	4.82	-48.83
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020185426	1	43	-1.0	-53.65	359.09	4.80	-48.85
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CCCCCC1	REAL300020185427	0	52	-1.0	-41.47	357.36	7.93	-33.54
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CCCCCC1	REAL300020185427	1	52	-1.0	-41.48	357.42	7.94	-33.54
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185428	0	37	-1.0	-43.59	316.17	3.05	-40.54
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185428	1	37	-1.0	-43.64	316.22	3.06	-40.58
CC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)N1C1=CC=CC=C1	REAL300020185429	0	50	-1.0	-46.91	400.64	9.43	-37.48
CC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)N1C1=CC=CC=C1	REAL300020185429	1	50	-1.0	-46.96	400.70	9.45	-37.51
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCC(C5=NN=N[N-]5)CC4)=CC=C32)=C1	REAL300020185430	0	49	-1.0	-45.82	398.07	9.73	-36.09
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCC(C5=N[N-]N=N5)CC4)=CC=C32)=C1	REAL300020185430	1	49	-1.0	-45.75	398.01	9.71	-36.04
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C21	REAL300020185431	0	41	-1.0	-40.01	345.89	3.89	-36.12
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C21	REAL300020185431	1	41	-1.0	-39.99	345.83	3.87	-36.12
O=C(C1CCC2=CC(F)=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185432	0	40	-1.0	-42.53	323.59	6.46	-36.07
O=C(C1CCC2=CC(F)=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185432	1	40	-1.0	-42.54	323.65	6.48	-36.06
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020185433	0	46	-1.0	-43.72	360.27	7.99	-35.73
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020185433	1	46	-1.0	-43.74	360.33	8.00	-35.74
CCOCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020185434	0	43	-1.0	-43.74	350.30	3.10	-40.64
CCOCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020185434	1	43	-1.0	-43.69	350.24	3.08	-40.61
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185435	0	44	-1.0	-40.50	359.32	6.15	-34.35
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185435	1	44	-1.0	-40.54	359.37	6.17	-34.37
O=C(C1=C(C(F)(F)F)SC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185436	0	33	-1.0	-42.22	298.30	4.52	-37.70
O=C(C1=C(C(F)(F)F)SC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185436	1	33	-1.0	-42.22	298.35	4.54	-37.68
CC1=NN(C2CCOCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185437	0	47	-1.0	-42.99	363.48	3.83	-39.16
CC1=NN(C2CCOCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185437	1	47	-1.0	-42.99	363.54	3.84	-39.15
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185438	0	52	-1.0	-45.07	390.02	1.99	-43.08
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185438	1	52	-1.0	-45.10	390.08	2.00	-43.10
CN1N=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020185439	0	33	-1.0	-41.25	310.54	3.22	-38.03
CN1N=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020185439	1	33	-1.0	-41.26	310.49	3.20	-38.06
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185440	0	42	-1.0	-45.99	357.69	6.21	-39.78
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185440	1	42	-1.0	-46.03	357.63	6.19	-39.84
O=C(C1CCCC1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185441	0	49	-1.0	-43.86	374.13	8.46	-35.40
O=C(C1CCCC1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185441	1	49	-1.0	-43.87	374.19	8.47	-35.40
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185442	0	46	-1.0	-44.12	371.47	6.86	-37.26
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185442	1	46	-1.0	-44.14	371.41	6.85	-37.29
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2CCCC2)CCNC1=O	REAL300020185443	0	47	-1.0	-52.01	335.18	3.01	-49.00
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2CCCC2)CCNC1=O	REAL300020185443	1	47	-1.0	-52.00	335.24	3.03	-48.97
CCOC1=CC=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185444	0	44	-1.0	-44.21	354.84	6.17	-38.04
CCOC1=CC=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185444	1	44	-1.0	-44.23	354.90	6.18	-38.05
COC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185445	0	41	-1.0	-44.21	332.94	5.27	-38.94
COC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185445	1	41	-1.0	-44.22	333.00	5.28	-38.94
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185446	0	36	-1.0	-44.94	317.29	6.02	-38.92
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185446	1	36	-1.0	-44.93	317.34	6.04	-38.89
CC1(C)CC1(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020185447	0	46	-1.0	-41.61	357.45	7.53	-34.08
CC1(C)CC1(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020185447	1	46	-1.0	-41.60	357.50	7.55	-34.05
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185448	0	40	-1.0	-43.13	347.12	5.64	-37.49
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185448	1	40	-1.0	-43.14	347.18	5.66	-37.48
CC(=CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CS1	REAL300020185449	0	37	-1.0	-41.14	312.01	5.81	-35.33
CC(=CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CS1	REAL300020185449	1	37	-1.0	-41.15	312.06	5.82	-35.33
O=C(C1=CSC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185450	0	33	-1.0	-47.87	298.54	4.55	-43.32
O=C(C1=CSC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185450	1	33	-1.0	-47.93	298.60	4.56	-43.37
CCCC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300020185451	0	45	-1.0	-40.98	366.34	7.78	-33.20
CCCC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300020185451	1	45	-1.0	-40.98	366.40	7.79	-33.19
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185452	0	50	-1.0	-43.10	392.99	4.49	-38.61
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185452	1	50	-1.0	-43.12	393.05	4.51	-38.61
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185453	0	43	-1.0	-44.96	343.49	3.27	-41.69
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185453	1	43	-1.0	-44.95	343.43	3.26	-41.69
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185454	0	39	-1.0	-49.66	328.37	1.04	-48.62
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185454	1	39	-1.0	-49.67	328.42	1.06	-48.61
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCCC1	REAL300020185455	0	57	-1.0	-40.35	389.25	7.51	-32.84
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCCC1	REAL300020185455	1	57	-1.0	-40.36	389.31	7.52	-32.84
CCOCCOCCCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185456	0	46	-1.0	-47.05	367.20	3.51	-43.54
CCOCCOCCCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185456	1	46	-1.0	-47.10	367.25	3.53	-43.57
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185457	0	41	-1.0	-45.64	349.19	3.79	-41.85
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185457	1	41	-1.0	-45.68	349.25	3.81	-41.87
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300020185458	0	42	-1.0	-45.10	356.14	5.01	-40.09
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300020185458	1	42	-1.0	-45.11	356.20	5.02	-40.09
COC1=CC=CC(C(OC)C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185459	0	44	-1.0	-43.67	350.16	4.55	-39.12
COC1=CC=CC(C(OC)C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185459	1	44	-1.0	-43.68	350.22	4.57	-39.11
COCCOCCOCCCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185460	0	50	-1.0	-48.76	400.82	2.87	-45.89
COCCOCCOCCCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185460	1	50	-1.0	-48.71	400.88	2.89	-45.82
COC1=CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C=C1OC	REAL300020185461	0	47	-1.0	-47.26	373.37	5.88	-41.38
COC1=CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C=C1OC	REAL300020185461	1	47	-1.0	-47.20	373.43	5.89	-41.31
CSC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)O1	REAL300020185462	0	37	-1.0	-41.76	316.57	4.53	-37.23
CSC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)O1	REAL300020185462	1	37	-1.0	-41.76	316.63	4.55	-37.21
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185463	0	45	-1.0	-55.03	343.66	3.51	-51.52
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185463	1	45	-1.0	-55.04	343.61	3.49	-51.55
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020185464	0	46	-2.0	-112.93	381.24	5.42	-107.51
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020185464	1	46	-2.0	-112.98	381.30	5.44	-107.54
CC(=O)NC1=CNC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185465	0	40	-1.0	-60.04	330.32	0.31	-59.73
CC(=O)NC1=CNC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185465	1	40	-1.0	-60.04	330.38	0.32	-59.72
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(N2C=CC=C2)S1	REAL300020185466	0	41	-1.0	-43.82	341.09	7.09	-36.73
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(N2C=CC=C2)S1	REAL300020185466	1	41	-1.0	-43.83	341.15	7.10	-36.73
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185467	0	39	-2.0	-99.12	325.98	4.22	-94.90
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185467	1	39	-2.0	-99.11	325.92	4.21	-94.90
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185467	1	39	-2.0	-101.26	325.98	4.18	-97.08
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185467	1	39	-2.0	-101.24	325.93	4.17	-97.07
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185468	0	36	-2.0	-79.47	310.35	1.89	-77.58
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185468	1	36	-2.0	-79.46	310.42	1.89	-77.57
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185468	1	36	-2.0	-79.51	310.41	1.91	-77.60
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185468	1	36	-2.0	-79.46	310.47	1.91	-77.55
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185469	0	45	-1.0	-53.48	380.14	4.53	-48.95
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185469	1	45	-1.0	-53.42	380.08	4.52	-48.90
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185470	0	39	-1.0	-42.24	356.11	2.34	-39.90
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185470	1	39	-1.0	-42.24	356.06	2.32	-39.92
O=C(C1=C(C(F)(F)F)C=NN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185471	0	33	-1.0	-43.47	288.02	2.29	-41.18
O=C(C1=C(C(F)(F)F)C=NN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185471	1	33	-1.0	-43.48	288.08	2.31	-41.17
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CC1=CC=C(C(=O)C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185508	1	42	-1.0	-43.12	347.47	6.50	-36.62
CC1=CN(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020185509	0	42	-1.0	-47.67	318.06	4.87	-42.80
CC1=CN(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020185509	1	42	-1.0	-47.64	318.11	4.89	-42.75
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NC1=NN=NN1C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185511	0	40	-1.0	-54.95	331.60	4.37	-50.58
NC1=NN=NN1C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185511	1	40	-1.0	-54.91	331.54	4.36	-50.55
CC1=CC=CC=C1NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=CS1	REAL300020185512	0	44	-1.0	-45.07	361.11	6.01	-39.06
CC1=CC=CC=C1NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=CS1	REAL300020185512	1	44	-1.0	-45.05	361.05	6.00	-39.05
CCN1C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1Br	REAL300020185513	0	36	-1.0	-40.66	309.62	4.17	-36.49
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CC1=NN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=NC=CC=C12	REAL300020186554	0	41	-1.0	-52.24	340.24	4.79	-47.45
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CCCOC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1C	REAL300020186556	0	49	-1.0	-41.39	391.87	6.90	-34.49
CCCOC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1C	REAL300020186556	1	49	-1.0	-41.41	391.92	6.92	-34.49
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O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186557	1	49	0.0	-68.33	372.57	6.79	-61.54
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C[C@H](NC(=O)CN1C=NN=N1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186558	0	41	-1.0	-55.03	340.56	1.09	-53.94
C[C@H](NC(=O)CN1C=NN=N1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186558	1	41	-1.0	-55.00	340.50	1.07	-53.93
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CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020186559	1	48	-1.0	-44.39	374.38	7.20	-37.19
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COC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1	REAL300020186561	0	44	-1.0	-47.14	353.71	4.07	-43.07
COC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1	REAL300020186561	1	44	-1.0	-47.15	353.77	4.08	-43.07
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O=C(C1=CC=CC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186562	1	42	-1.0	-45.09	340.18	7.04	-38.05
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O=C(C1=CC2=C(Br)C=C(F)C=C2N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186563	1	37	-1.0	-42.03	328.25	5.59	-36.44
O=C(CCCCCCCCC1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186564	0	54	-1.0	-41.84	416.79	9.50	-32.34
O=C(CCCCCCCCC1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186564	1	54	-1.0	-41.88	416.85	9.51	-32.37
CC12CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)(CC1)CO2	REAL300020186565	0	44	-1.0	-42.25	318.78	3.62	-38.63
CC12CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)(CC1)CO2	REAL300020186565	1	44	-1.0	-42.30	318.84	3.64	-38.66
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SN=N1	REAL300020186566	0	37	-1.0	-40.36	311.51	2.99	-37.37
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SN=N1	REAL300020186566	1	37	-1.0	-40.31	311.56	3.00	-37.31
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300020186567	0	39	-2.0	-88.15	333.11	3.99	-84.16
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300020186567	1	39	-2.0	-88.16	333.17	4.01	-84.15
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020186568	0	33	-2.0	-102.58	300.92	3.36	-99.22
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020186568	1	33	-2.0	-102.58	300.97	3.37	-99.21
CN1N=CC2=C1C=C(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C(=O)N2	REAL300020186569	0	39	-1.0	-54.77	328.45	1.30	-53.47
CN1N=CC2=C1C=C(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C(=O)N2	REAL300020186569	1	39	-1.0	-54.75	328.51	1.32	-53.43
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O=C(C1CCCC2=C1NN=C2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186570	1	40	-1.0	-45.31	314.56	3.35	-41.96
COC1=C2C=CSC2=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020186571	0	40	-1.0	-47.15	336.60	5.12	-42.03
COC1=C2C=CSC2=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020186571	1	40	-1.0	-47.14	336.66	5.13	-42.01
CC1(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)CC1	REAL300020186572	0	43	-1.0	-44.13	335.85	6.89	-37.24
CC1(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CC1	REAL300020186572	1	43	-1.0	-44.14	335.91	6.90	-37.24
CC1CCN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C1	REAL300020186573	0	48	-1.0	-43.69	363.39	5.37	-38.32
CC1CCN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C1	REAL300020186573	1	48	-1.0	-43.70	363.45	5.38	-38.32
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC(F)=CC(F)=C1	REAL300020186574	0	39	-1.0	-42.61	320.25	5.90	-36.71
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC(F)=CC(F)=C1	REAL300020186574	1	39	-1.0	-42.61	320.31	5.92	-36.69
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CC(CCC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Br)C=C1	REAL300020186579	0	45	-1.0	-43.36	373.17	8.03	-35.33
CC(CCC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Br)C=C1	REAL300020186579	1	45	-1.0	-43.38	373.23	8.05	-35.33
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CC1(C)CC2(CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)C1	REAL300020186581	0	46	-1.0	-42.07	342.45	6.51	-35.56
CC1(C)CC2(CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C2)C1	REAL300020186581	1	46	-1.0	-42.10	342.51	6.53	-35.57
COC1=CC=CC(N2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)=C1	REAL300020186582	0	44	-1.0	-49.22	358.21	5.54	-43.68
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O=C(C1=NN2C=CC(C(F)(F)F)=NC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186590	1	37	-1.0	-50.10	328.38	6.54	-43.56
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=N1	REAL300020186591	0	40	-1.0	-46.56	329.30	0.23	-46.33
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=N1	REAL300020186591	1	40	-1.0	-46.56	329.24	0.21	-46.35
CC1(C)C2CCC(C2)C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186592	0	46	-1.0	-39.78	321.56	6.06	-33.72
CC1(C)C2CCC(C2)C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186592	1	46	-1.0	-39.81	321.62	6.08	-33.73
NC(=O)C1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186593	0	40	-1.0	-49.40	329.26	2.23	-47.17
NC(=O)C1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186593	1	40	-1.0	-49.45	329.32	2.25	-47.20
CCC(=O)NC1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186594	0	42	-1.0	-53.32	340.53	2.26	-51.06
CCC(=O)NC1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186594	1	42	-1.0	-53.30	340.47	2.24	-51.06
CCC[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300020186595	0	55	-1.0	-47.35	415.85	4.80	-42.55
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CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186596	0	53	-1.0	-46.69	401.45	5.63	-41.06
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186596	1	53	-1.0	-46.70	401.51	5.65	-41.05
CCC[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300020186597	0	55	-1.0	-48.37	415.85	4.80	-43.57
CCC[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC(=O)OC(C)(C)C	REAL300020186597	1	55	-1.0	-48.35	415.90	4.81	-43.54
CC(C)(C)OC(=O)NC1CC2CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC21	REAL300020186598	0	57	-1.0	-44.79	423.79	5.06	-39.73
CC(C)(C)OC(=O)NC1CC2CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC21	REAL300020186598	1	57	-1.0	-44.80	423.85	5.08	-39.72
NC1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020186599	0	35	-1.0	-45.24	307.10	3.02	-42.22
NC1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020186599	1	35	-1.0	-45.21	307.16	3.04	-42.17
CCC(C)C(C)NC1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020186600	0	52	-1.0	-47.72	411.82	6.12	-41.60
CCC(C)C(C)NC1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020186600	1	52	-1.0	-47.73	411.87	6.14	-41.59
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186601	0	43	-1.0	-47.31	354.21	3.19	-44.12
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186601	1	43	-1.0	-47.30	354.26	3.21	-44.09
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186602	0	56	-1.0	-44.00	410.06	6.68	-37.32
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186602	1	56	-1.0	-44.01	410.12	6.70	-37.31
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@H]2C[C@H]21	REAL300020186603	0	54	-1.0	-44.21	413.79	4.84	-39.37
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@H]2C[C@H]21	REAL300020186603	1	54	-1.0	-44.18	413.85	4.85	-39.33
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1	REAL300020186604	0	56	-1.0	-45.51	402.41	6.68	-38.83
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020186604	1	56	-1.0	-45.55	402.47	6.69	-38.86
CC(C)(C)OC(=O)N1CCC2CCC21C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186605	0	54	-1.0	-45.79	395.60	6.45	-39.34
CC(C)(C)OC(=O)N1CCC2CCC21C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186605	1	54	-1.0	-45.80	395.66	6.47	-39.33
CCOC(=O)C1CC12CC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020186606	0	46	-1.0	-48.40	368.75	6.68	-41.72
CCOC(=O)C1CC12CC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020186606	1	46	-1.0	-48.43	368.81	6.69	-41.74
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(NC(=O)OC(C)(C)C)=N1	REAL300020186607	0	50	-1.0	-51.79	397.85	3.73	-48.06
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(NC(=O)OC(C)(C)C)=N1	REAL300020186607	1	50	-1.0	-51.78	397.91	3.75	-48.03
CC(C)(C)OC(=O)N1CC2CCC1(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020186608	0	54	-1.0	-45.49	395.48	6.98	-38.51
CC(C)(C)OC(=O)N1CC2CCC1(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020186608	1	54	-1.0	-45.50	395.54	7.00	-38.50
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186609	0	33	-2.0	-84.09	293.39	2.90	-81.19
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186609	1	33	-2.0	-84.11	293.45	2.91	-81.20
O=C(C1=CC=C(Cl)C(O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186609	1	34	-1.0	-42.33	296.96	2.14	-40.19
O=C(C1=CC=C(Cl)C(O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186609	1	34	-1.0	-42.33	297.02	2.16	-40.17
COC(=O)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)N1	REAL300020186610	0	43	-1.0	-45.09	357.79	4.55	-40.54
COC(=O)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)N1	REAL300020186610	1	43	-1.0	-45.08	357.84	4.56	-40.52
O=C(OCC1=CC=CC=C1)N1C(=O)CCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186611	0	50	-1.0	-53.55	405.39	7.77	-45.78
O=C(OCC1=CC=CC=C1)N1C(=O)CCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186611	1	50	-1.0	-53.53	405.44	7.79	-45.74
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300020186612	0	35	-1.0	-41.09	313.82	4.07	-37.02
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300020186612	1	35	-1.0	-41.05	313.76	4.05	-37.00
CC#CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186613	0	51	-1.0	-44.16	395.30	4.04	-40.12
CC#CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186613	1	51	-1.0	-44.14	395.36	4.05	-40.09
CC(C)(C)OC(=O)N1CC(CCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186614	0	56	-1.0	-48.40	433.06	6.40	-42.00
CC(C)(C)OC(=O)N1CC(CCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186614	1	56	-1.0	-48.41	433.12	6.41	-42.00
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020186615	0	51	-1.0	-44.91	380.43	5.59	-39.32
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020186615	1	51	-1.0	-44.93	380.49	5.61	-39.32
CCOC1(OCC)CC(C)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186616	0	50	-1.0	-41.75	375.95	4.80	-36.95
CCOC1(OCC)CC(C)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186616	1	50	-1.0	-41.74	376.00	4.81	-36.93
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(Cl)=C1Cl	REAL300020186617	0	34	-1.0	-41.32	326.00	3.95	-37.37
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(Cl)=C1Cl	REAL300020186617	1	34	-1.0	-41.38	326.06	3.96	-37.42
COCC1CCN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C1	REAL300020186618	0	52	-1.0	-44.73	396.87	4.45	-40.28
COCC1CCN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C1	REAL300020186618	1	52	-1.0	-44.74	396.93	4.47	-40.27
CC(C)(C)OC(=O)N1CCCC2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2C1	REAL300020186619	0	57	-1.0	-51.47	420.24	6.73	-44.74
CC(C)(C)OC(=O)N1CCCC2(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2C1	REAL300020186619	1	57	-1.0	-51.47	420.30	6.74	-44.73
O=C(CC(C(F)F)N1C=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186620	0	39	-1.0	-45.24	320.77	4.44	-40.80
O=C(CC(C(F)F)N1C=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186620	1	39	-1.0	-45.24	320.72	4.42	-40.82
NC1=NC2=C(N=CN2CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N1	REAL300020186621	0	40	-1.0	-58.91	337.01	3.59	-55.32
NC1=NC2=C(N=CN2CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N1	REAL300020186621	1	40	-1.0	-58.90	337.06	3.61	-55.29
CC(C)[C@H](NC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186622	0	47	-1.0	-40.12	351.22	5.56	-34.56
CC(C)[C@H](NC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186622	1	47	-1.0	-40.15	351.28	5.58	-34.57
O=C(C1=CC(NCC2=CC=CC=C2)=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186623	0	47	-1.0	-44.41	381.47	6.11	-38.30
O=C(C1=CC(NCC2=CC=CC=C2)=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186623	1	47	-1.0	-44.49	381.52	6.13	-38.36
C=CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186624	0	53	-1.0	-42.13	403.78	4.01	-38.12
C=CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186624	1	53	-1.0	-42.20	403.84	4.02	-38.18
CCCC[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300020186625	0	58	-1.0	-47.29	437.35	5.58	-41.71
CCCC[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC(=O)OC(C)(C)C	REAL300020186625	1	58	-1.0	-47.32	437.41	5.59	-41.73
COC1=CC=CC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186626	0	40	-1.0	-44.62	322.94	4.49	-40.13
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CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2=CC=CS2)=NO1	REAL300020186647	1	39	-1.0	-41.15	343.69	5.67	-35.48
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CC1(C)COCC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020186665	0	44	-1.0	-46.24	337.14	3.70	-42.54
CC1(C)COCC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020186665	1	44	-1.0	-46.24	337.19	3.72	-42.52
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CN1C=C(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)C=N1	REAL300020186666	1	41	-1.0	-51.81	339.34	3.79	-48.02
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O=C([C@H]1C[C@@H](OC(F)F)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186668	1	37	-1.0	-43.55	306.47	3.06	-40.49
CN1N=CC=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186669	0	36	-1.0	-41.82	299.42	2.88	-38.94
CN1N=CC=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186669	1	36	-1.0	-41.83	299.36	2.86	-38.97
COC1=CC=C(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020186670	0	39	-1.0	-41.37	329.14	2.11	-39.26
COC1=CC=C(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020186670	1	39	-1.0	-41.34	329.08	2.10	-39.24
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=CSC=N1	REAL300020186671	0	32	-1.0	-43.43	285.58	3.14	-40.29
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)C1=CSC=N1	REAL300020186671	1	32	-1.0	-43.44	285.52	3.13	-40.31
CC(C)(C)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020186672	0	44	-1.0	-43.46	341.96	6.00	-37.46
CC(C)(C)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020186672	1	44	-1.0	-43.42	341.90	5.98	-37.44
COC1=CC=CC=C1C1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020186673	0	43	-1.0	-46.65	361.13	5.06	-41.59
COC1=CC=CC=C1C1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020186673	1	43	-1.0	-46.65	361.07	5.05	-41.60
O=C(N1CCC(C2=N[N-]N=N2)CC1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300020186674	0	40	-1.0	-43.22	314.20	5.75	-37.47
O=C(N1CCC(C2=NN=N[N-]2)CC1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300020186674	1	40	-1.0	-43.26	314.26	5.77	-37.49
O=C(C1=C2N(CCNS2(=O)=O)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186675	0	39	-1.0	-57.73	329.87	-2.43	-60.16
O=C(C1=C2N(CCNS2(=O)=O)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186675	1	39	-1.0	-57.74	329.82	-2.44	-60.18
CC(C)(C)N1N=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186676	0	42	-1.0	-41.69	317.49	4.11	-37.58
CC(C)(C)N1N=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186676	1	42	-1.0	-41.66	317.43	4.09	-37.57
CC1=NC2=C(CCCC2CC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020186677	0	45	-1.0	-49.53	348.70	4.29	-45.24
CC1=NC2=C(CCCC2CC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020186677	1	45	-1.0	-49.54	348.76	4.30	-45.24
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186678	0	44	-1.0	-48.65	358.14	3.24	-45.41
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186678	1	44	-1.0	-48.66	358.20	3.25	-45.41
CCCCCC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186679	0	51	-1.0	-43.25	402.04	9.22	-34.03
CCCCCC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186679	1	51	-1.0	-43.26	402.10	9.23	-34.03
O=C(C1COC2=C(F)C=C(F)C=C2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186680	0	41	-1.0	-40.11	337.27	5.30	-34.81
O=C(C1COC2=C(F)C=C(F)C=C2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186680	1	41	-1.0	-40.14	337.33	5.32	-34.82
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186681	0	48	-1.0	-47.19	376.91	6.50	-40.69
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186681	1	48	-1.0	-47.20	376.98	6.51	-40.69
CCCCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020186682	0	41	-1.0	-42.27	340.62	4.59	-37.68
CCCCC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020186682	1	41	-1.0	-42.29	340.67	4.61	-37.68
CC(C)(C)OCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020186683	0	45	-1.0	-43.60	366.02	3.44	-40.16
CC(C)(C)OCC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020186683	1	45	-1.0	-43.55	366.08	3.45	-40.10
CC1=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC2=CC=C1[N+](=O)[O-]	REAL300020186684	0	42	-1.0	-43.11	343.69	6.09	-37.02
CC1=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC2=CC=C1[N+](=O)[O-]	REAL300020186684	1	42	-1.0	-43.13	343.74	6.11	-37.02
COC1=CC(F)=CC(N2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)=C1	REAL300020186685	0	44	-1.0	-45.64	364.58	5.60	-40.04
COC1=CC(F)=CC(N2C=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)=C1	REAL300020186685	1	44	-1.0	-45.60	364.52	5.58	-40.02
O=C(C(CCC1=CC=CC=C1)CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186686	0	55	-1.0	-46.76	422.77	10.61	-36.15
O=C(C(CCC1=CC=CC=C1)CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186686	1	55	-1.0	-46.74	422.83	10.63	-36.11
CC(=O)N1CSC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186687	0	38	-1.0	-50.25	307.25	3.82	-46.43
CC(=O)N1CSC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186687	1	38	-1.0	-50.24	307.30	3.84	-46.40
COCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCO1	REAL300020186688	0	44	-1.0	-41.54	322.72	3.53	-38.01
COCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCO1	REAL300020186688	1	44	-1.0	-41.55	322.77	3.55	-38.00
CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(F)(F)F	REAL300020186689	0	39	-1.0	-44.38	320.75	5.86	-38.52
CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(F)(F)F	REAL300020186689	1	39	-1.0	-44.39	320.81	5.87	-38.52
O=C(N1CCC(C2=N[N-]N=N2)CC1)[C@]12CCO[C@@H]1CCCCC2	REAL300020186690	0	47	-1.0	-40.98	316.94	4.58	-36.40
O=C(N1CCC(C2=NN=N[N-]2)CC1)[C@]12CCO[C@@H]1CCCCC2	REAL300020186690	1	47	-1.0	-40.97	317.00	4.60	-36.37
CN(C)C1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=CC=C1	REAL300020186691	0	44	-1.0	-44.21	360.83	5.26	-38.95
CN(C)C1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=CC=C1	REAL300020186691	1	44	-1.0	-44.26	360.88	5.27	-38.99
O=C(C1C2CC1(C1=CC=NC=C1)CC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186692	0	46	-1.0	-44.85	353.38	6.30	-38.55
O=C(C1C2CC1(C1=CC=NC=C1)CC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186692	1	46	-1.0	-44.84	353.32	6.29	-38.55
O=C([C@@H]1C[C@H]1C1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186693	0	40	-1.0	-46.78	333.73	6.85	-39.93
O=C([C@@H]1C[C@H]1C1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186693	1	40	-1.0	-46.82	333.79	6.87	-39.95
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=N1	REAL300020186694	0	36	-1.0	-45.53	312.60	1.59	-43.94
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=N1	REAL300020186694	1	36	-1.0	-45.54	312.54	1.57	-43.97
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)(C)C1	REAL300020186695	0	56	-1.0	-44.13	417.53	6.22	-37.91
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)(C)C1	REAL300020186695	1	56	-1.0	-44.11	417.59	6.23	-37.88
CCC1=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CNC2=N1	REAL300020186696	0	41	-1.0	-54.30	337.81	4.25	-50.05
CCC1=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CNC2=N1	REAL300020186696	1	41	-1.0	-54.26	337.87	4.27	-49.99
O=C(C1=C2N=C(CC3CC3)N=C2NC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186697	0	45	-1.0	-54.15	368.69	5.86	-48.29
O=C(C1=C2N=C(CC3CC3)N=C2NC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186697	1	45	-1.0	-54.15	368.75	5.87	-48.28
O=C(C(O)C1CCCCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186698	0	49	-1.0	-40.60	338.74	4.14	-36.46
O=C(C(O)C1CCCCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186698	1	49	-1.0	-40.64	338.80	4.16	-36.48
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(Cl)O1	REAL300020186699	0	35	-1.0	-47.44	324.57	-1.87	-49.31
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(Cl)O1	REAL300020186699	1	35	-1.0	-47.45	324.63	-1.86	-49.31
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C2CCCCC2=N1	REAL300020186700	0	45	-1.0	-43.00	348.40	5.71	-37.29
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C2CCCCC2=N1	REAL300020186700	1	45	-1.0	-42.99	348.45	5.73	-37.26
CC[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300020186701	0	52	-1.0	-47.48	394.36	4.04	-43.44
CC[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC(=O)OC(C)(C)C	REAL300020186701	1	52	-1.0	-47.46	394.41	4.06	-43.40
CC[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300020186702	0	52	-1.0	-48.39	394.35	4.04	-44.35
CC[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC(=O)OC(C)(C)C	REAL300020186702	1	52	-1.0	-48.39	394.41	4.06	-44.33
O=C(C1CCN(CC2=CC=CC=C2)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186703	0	47	-1.0	-45.77	372.45	6.22	-39.55
O=C(C1CCN(CC2=CC=CC=C2)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186703	1	47	-1.0	-45.74	372.50	6.23	-39.51
O=C(C1=NN(C2=CC(F)=CC=C2F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186704	0	40	-1.0	-45.13	338.08	6.24	-38.89
O=C(C1=NN(C2=CC(F)=CC=C2F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186704	1	40	-1.0	-45.11	338.03	6.22	-38.89
O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186705	0	37	-1.0	-49.51	309.57	-2.72	-52.23
O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186705	1	37	-1.0	-49.59	309.63	-2.70	-52.29
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C21	REAL300020186706	0	51	-1.0	-53.76	396.51	5.70	-48.06
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C21	REAL300020186706	1	51	-1.0	-53.73	396.45	5.68	-48.05
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020186707	0	47	-1.0	-44.99	369.83	4.04	-40.95
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020186707	1	47	-1.0	-45.02	369.77	4.02	-41.00
O=C(C1CCC(O)(C2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186708	0	47	-1.0	-46.07	361.62	4.56	-41.51
O=C(C1CCC(O)(C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186708	1	47	-1.0	-46.06	361.68	4.58	-41.48
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020186709	0	51	-1.0	-45.03	403.50	3.08	-41.95
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020186709	1	51	-1.0	-45.00	403.45	3.07	-41.93
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020186710	0	44	-1.0	-45.12	348.34	3.17	-41.95
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020186710	1	44	-1.0	-45.16	348.28	3.16	-42.00
CC1=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C	REAL300020186711	0	47	-1.0	-44.03	366.39	3.61	-40.42
CC1=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C	REAL300020186711	1	47	-1.0	-44.02	366.45	3.63	-40.39
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186712	0	53	-1.0	-46.29	397.45	4.97	-41.32
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186712	1	53	-1.0	-46.33	397.50	4.99	-41.34
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186713	0	47	-1.0	-42.89	359.90	4.07	-38.82
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186713	1	47	-1.0	-42.89	359.96	4.09	-38.80
O=C(C1=CC=C2N=C(C3CCCCC3)OC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186714	0	51	-1.0	-42.67	398.05	5.37	-37.30
O=C(C1=CC=C2N=C(C3CCCCC3)OC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186714	1	51	-1.0	-42.64	398.11	5.39	-37.25
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C1=CC=C(F)C=C1	REAL300020186715	0	43	-1.0	-45.26	352.07	6.10	-39.16
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C1=CC=C(F)C=C1	REAL300020186715	1	43	-1.0	-45.20	352.02	6.09	-39.11
O=C(C1CC(=O)N(CC2=CC=CC=C2F)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186716	0	47	-1.0	-47.73	374.93	6.15	-41.58
O=C(C1CC(=O)N(CC2=CC=CC=C2F)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186716	1	47	-1.0	-47.75	374.98	6.17	-41.58
O=C(C1CC12C(=O)NC1=CC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186717	0	42	-1.0	-45.90	340.22	4.16	-41.74
O=C(C1CC12C(=O)NC1=CC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186717	1	42	-1.0	-45.96	340.27	4.18	-41.78
COC1=CC=C(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N=N2)C=C1	REAL300020186718	0	43	-1.0	-45.71	353.75	4.03	-41.68
COC1=CC=C(N2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)N=N2)C=C1	REAL300020186718	1	43	-1.0	-45.73	353.69	4.02	-41.71
CC(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C(C)C)O1	REAL300020186719	0	48	-1.0	-42.24	378.42	6.95	-35.29
CC(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C(C)C)O1	REAL300020186719	1	48	-1.0	-42.21	378.48	6.97	-35.24
COC1=CC=C(C=C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020186720	0	46	-1.0	-44.17	376.10	4.87	-39.30
COC1=CC=C(C=C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020186720	1	46	-1.0	-44.19	376.16	4.88	-39.31
O=C(CN1N=NN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186721	0	41	-1.0	-46.88	338.37	4.29	-42.59
O=C(CN1N=NN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186721	1	41	-1.0	-46.93	338.42	4.31	-42.62
O=C(C1=CN=C(C2=CC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186722	0	40	-1.0	-46.26	335.49	3.82	-42.44
O=C(C1=CN=C(C2=CC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186722	1	40	-1.0	-46.28	335.54	3.83	-42.45
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186723	0	44	-1.0	-47.44	368.22	7.07	-40.37
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186723	1	44	-1.0	-47.43	368.28	7.08	-40.35
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)O2)N1	REAL300020186724	0	40	-1.0	-43.39	339.32	3.38	-40.01
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)O2)N1	REAL300020186724	1	40	-1.0	-43.34	339.37	3.40	-39.94
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)O2)[N-]1	REAL300020186724	1	39	-2.0	-84.63	335.89	2.96	-81.67
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)O2)[N-]1	REAL300020186724	1	39	-2.0	-84.67	335.95	2.97	-81.70
COC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020186725	0	43	-1.0	-44.74	340.92	5.24	-39.50
COC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020186725	1	43	-1.0	-44.71	340.97	5.25	-39.46
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(F)F	REAL300020186726	0	36	-1.0	-43.91	304.64	3.53	-40.38
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(F)F	REAL300020186726	1	36	-1.0	-43.90	304.70	3.55	-40.35
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COC(=O)C1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020186946	1	41	-1.0	-44.32	333.96	3.72	-40.60
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CC(=O)NC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020186948	1	46	-1.0	-45.40	351.23	3.66	-41.74
CN(C)C(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020186949	0	42	-1.0	-45.19	338.92	3.42	-41.77
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CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)OC2=CC=CC=C2C1=O	REAL300020186950	0	41	-1.0	-43.28	341.29	5.50	-37.78
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)OC2=CC=CC=C2C1=O	REAL300020186950	1	41	-1.0	-43.29	341.35	5.52	-37.77
CNC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186951	0	42	-1.0	-49.69	356.55	2.46	-47.23
CNC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186951	1	42	-1.0	-49.73	356.60	2.47	-47.26
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC(F)F	REAL300020186952	0	40	-1.0	-49.14	329.20	4.73	-44.41
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC(F)F	REAL300020186952	1	40	-1.0	-49.21	329.25	4.74	-44.47
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CC(C)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N1	REAL300020186964	0	46	-1.0	-49.35	344.75	2.92	-46.43
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COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020186974	0	42	-1.0	-44.30	343.94	5.69	-38.61
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020186974	1	42	-1.0	-44.31	344.00	5.70	-38.61
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020186975	0	39	-1.0	-46.69	340.17	5.57	-41.12
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020186975	1	39	-1.0	-46.73	340.23	5.58	-41.15
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1(C)C	REAL300020186976	0	59	-1.0	-48.77	412.70	6.22	-42.55
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1(C)C	REAL300020186976	1	59	-1.0	-48.72	412.76	6.24	-42.48
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CC(C)(C)OC(=O)N1OC2CCCC2C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186978	0	55	-1.0	-46.21	416.17	5.75	-40.46
CC(C)(C)OC(=O)N1OC2CCCC2C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186978	1	55	-1.0	-46.21	416.22	5.76	-40.45
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCOC1	REAL300020186979	0	54	-1.0	-41.82	403.14	2.54	-39.28
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCOC1	REAL300020186979	1	54	-1.0	-41.80	403.20	2.56	-39.24
CC[C@H](C)[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300020186980	0	58	-1.0	-47.76	428.36	5.55	-42.21
CC[C@H](C)[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC(=O)OC(C)(C)C	REAL300020186980	1	58	-1.0	-47.86	428.41	5.57	-42.29
CC1=CC(Cl)=CC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186981	0	39	-1.0	-40.44	329.98	6.19	-34.25
CC1=CC(Cl)=CC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186981	1	39	-1.0	-40.45	330.03	6.21	-34.24
CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020186982	0	46	-1.0	-45.16	350.86	3.63	-41.53
CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020186982	1	46	-1.0	-45.20	350.92	3.64	-41.56
O=C(C1CC2(C1)CC1(CCC1)C2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186983	0	47	-1.0	-41.54	358.23	7.40	-34.14
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CC1=C(C)C2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N2)O1	REAL300020187037	1	40	-1.0	-45.12	324.20	4.34	-40.78
CC1=C(Cl)C=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC2=C1	REAL300020187038	0	40	-1.0	-41.81	336.06	5.98	-35.83
CC1=C(Cl)C=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC2=C1	REAL300020187038	1	40	-1.0	-41.87	336.12	5.99	-35.88
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COC1=CC=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N(C)C2=C1	REAL300020187039	1	44	-1.0	-42.60	348.41	5.27	-37.33
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COCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N1	REAL300020187041	0	39	-1.0	-55.30	328.02	0.54	-54.76
COCC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N1	REAL300020187041	1	39	-1.0	-55.32	328.08	0.56	-54.76
COCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300020187041	1	38	-2.0	-89.58	325.59	-0.49	-90.07
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NC(=O)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)NC2=CC=CC=C21	REAL300020187042	1	44	-1.0	-51.52	363.93	1.83	-49.69
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(F)(F)F	REAL300020187043	0	36	-1.0	-42.09	308.62	3.62	-38.47
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(F)(F)F	REAL300020187043	1	36	-1.0	-42.08	308.56	3.60	-38.48
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O=C(C1=CN(C2CC2(F)F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187044	1	37	-1.0	-45.08	313.20	3.79	-41.29
CN1N=NC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C21	REAL300020187045	0	38	-1.0	-47.00	308.62	2.72	-44.28
CN1N=NC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C21	REAL300020187045	1	38	-1.0	-47.08	308.56	2.70	-44.38
CC(C)(C)OC(=O)N1CCC(C)(C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187046	0	59	-1.0	-49.97	418.06	7.02	-42.95
CC(C)(C)OC(=O)N1CCC(C)(C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187046	1	59	-1.0	-49.97	418.12	7.04	-42.93
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CC1=CC=C(C)C(C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)C)=C1	REAL300020187048	0	51	-1.0	-43.33	382.90	8.05	-35.28
CC1=CC=C(C)C(C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)C)=C1	REAL300020187048	1	51	-1.0	-43.29	382.95	8.07	-35.22
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CCC(F)(F)C(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187050	0	41	-1.0	-46.62	306.29	4.41	-42.21
CCC(F)(F)C(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187050	1	41	-1.0	-46.65	306.35	4.43	-42.22
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CN1C=CC([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020187052	0	40	-1.0	-49.68	326.69	4.52	-45.16
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020187052	1	40	-1.0	-49.70	326.75	4.53	-45.17
COC1=CN(C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC1=O	REAL300020187053	0	40	-1.0	-56.82	328.05	3.60	-53.22
COC1=CN(C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC1=O	REAL300020187053	1	40	-1.0	-56.81	328.11	3.62	-53.19
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CN1C=CC(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NO2)=N1	REAL300020187059	0	39	-1.0	-46.11	330.81	3.86	-42.25
CN1C=CC(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NO2)=N1	REAL300020187059	1	39	-1.0	-46.12	330.86	3.87	-42.25
O=C(COCCC1=CC=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187060	0	40	-1.0	-44.99	340.90	5.74	-39.25
O=C(COCCC1=CC=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187060	1	40	-1.0	-45.02	340.96	5.76	-39.26
CC1=CC(Br)=CC(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187061	0	42	-1.0	-42.82	350.04	7.09	-35.73
CC1=CC(Br)=CC(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187061	1	42	-1.0	-42.85	350.10	7.11	-35.74
O=C(C1=CN2C=CC=C(Br)C2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187062	0	36	-1.0	-48.61	318.94	6.38	-42.23
O=C(C1=CN2C=CC=C(Br)C2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187062	1	36	-1.0	-48.63	318.89	6.37	-42.26
COC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCOC1	REAL300020187063	0	44	-1.0	-42.80	334.50	3.19	-39.61
COC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCOC1	REAL300020187063	1	44	-1.0	-42.79	334.55	3.20	-39.59
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187064	0	47	-1.0	-43.75	358.36	8.05	-35.70
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187064	1	47	-1.0	-43.76	358.41	8.07	-35.69
CN1C=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020187065	0	40	-1.0	-45.51	324.20	6.21	-39.30
CN1C=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020187065	1	40	-1.0	-45.53	324.26	6.22	-39.31
O=C(C1=C(F)C=C2OC=CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187066	0	36	-1.0	-46.96	304.06	4.84	-42.12
O=C(C1=C(F)C=C2OC=CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187066	1	36	-1.0	-46.99	304.12	4.86	-42.13
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187067	0	52	-1.0	-45.07	413.23	3.03	-42.04
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187067	1	52	-1.0	-45.05	413.17	3.02	-42.03
CCN1N=CC(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187068	0	36	-1.0	-39.13	319.50	3.78	-35.35
CCN1N=CC(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187068	1	36	-1.0	-39.11	319.45	3.77	-35.34
CCN1C=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020187069	0	36	-1.0	-45.83	313.13	4.31	-41.52
CCN1C=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020187069	1	36	-1.0	-45.86	313.07	4.29	-41.57
CC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020187070	0	46	-1.0	-49.66	354.46	3.13	-46.53
CC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020187070	1	46	-1.0	-49.66	354.52	3.14	-46.52
O=C(C1=C(Cl)N(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187071	0	40	-1.0	-45.75	343.26	5.89	-39.86
O=C(C1=C(Cl)N(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187071	1	40	-1.0	-45.79	343.21	5.87	-39.92
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020187072	0	43	-1.0	-43.39	343.22	7.44	-35.95
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020187072	1	43	-1.0	-43.41	343.28	7.46	-35.95
O=C(C1=CC=C(C2CCCC(=O)N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187073	0	47	-1.0	-47.45	370.92	4.83	-42.62
O=C(C1=CC=C(C2CCCC(=O)N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187073	1	47	-1.0	-47.42	370.98	4.85	-42.57
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187074	0	46	-1.0	-46.72	379.01	7.13	-39.59
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187074	1	46	-1.0	-46.72	378.95	7.12	-39.60
CC1=C(C)C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2N=N1	REAL300020187075	0	43	-1.0	-45.29	342.07	4.78	-40.51
CC1=C(C)C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2N=N1	REAL300020187075	1	43	-1.0	-45.32	342.13	4.79	-40.53
O=C(C1CCCNS1(=O)=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187076	0	38	-1.0	-53.52	309.09	-1.15	-54.67
O=C(C1CCCNS1(=O)=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187076	1	38	-1.0	-53.55	309.16	-1.13	-54.68
CC1OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C1C	REAL300020187077	0	44	-1.0	-44.15	342.00	5.51	-38.64
CC1OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C1C	REAL300020187077	1	44	-1.0	-44.17	342.06	5.52	-38.65
CN1C=C(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC1=O	REAL300020187078	0	39	-1.0	-43.91	326.07	4.17	-39.74
CN1C=C(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC1=O	REAL300020187078	1	39	-1.0	-43.90	326.13	4.19	-39.71
CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187079	0	49	-1.0	-43.90	381.40	3.00	-40.90
CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187079	1	49	-1.0	-43.89	381.46	3.02	-40.87
COC1=CC=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CNC2=C1	REAL300020187080	0	44	-1.0	-46.90	356.03	4.81	-42.09
COC1=CC=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CNC2=C1	REAL300020187080	1	44	-1.0	-46.94	356.09	4.82	-42.12
CCCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)O1	REAL300020187081	0	42	-1.0	-42.20	337.04	5.69	-36.51
CCCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)O1	REAL300020187081	1	42	-1.0	-42.22	337.10	5.71	-36.51
CN1C=CC2=CC=NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C21	REAL300020187082	0	39	-1.0	-43.81	318.79	4.23	-39.58
CN1C=CC2=CC=NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C21	REAL300020187082	1	39	-1.0	-43.80	318.73	4.22	-39.58
O=C(CCC1=CC=C(Cl)C=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187083	0	39	-1.0	-42.61	350.05	7.25	-35.36
O=C(CCC1=CC=C(Cl)C=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187083	1	39	-1.0	-42.67	350.11	7.27	-35.40
CC(C)(C)OC(=O)NCC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCOC1	REAL300020187084	0	57	-1.0	-46.37	424.47	3.57	-42.80
CC(C)(C)OC(=O)NCC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCOC1	REAL300020187084	1	57	-1.0	-46.40	424.53	3.58	-42.82
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187085	0	59	-1.0	-49.85	433.33	6.90	-42.95
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187085	1	59	-1.0	-49.86	433.39	6.91	-42.95
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC(C)(C)C1	REAL300020187086	0	59	-1.0	-44.71	430.85	5.85	-38.86
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC(C)(C)C1	REAL300020187086	1	59	-1.0	-44.69	430.90	5.87	-38.82
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CC(=CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020187099	0	42	-1.0	-43.09	351.70	7.39	-35.70
CC(=CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020187099	1	42	-1.0	-43.11	351.76	7.40	-35.71
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187100	0	42	-1.0	-45.73	341.29	6.81	-38.92
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187100	1	42	-1.0	-45.73	341.35	6.82	-38.91
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CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187108	1	59	-1.0	-49.28	427.47	5.11	-44.17
CC(C)(C)OC(=O)NCC(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCC1	REAL300020187109	0	59	-1.0	-43.82	435.88	6.19	-37.63
CC(C)(C)OC(=O)NCC(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCC1	REAL300020187109	1	59	-1.0	-43.82	435.94	6.21	-37.61
CC(C)(C)OC(=O)NC1CCOC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187110	0	54	-1.0	-46.67	410.65	3.45	-43.22
CC(C)(C)OC(=O)NC1CCOC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187110	1	54	-1.0	-46.71	410.71	3.46	-43.25
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COC(=O)C1CC2(C1)CC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020187124	0	46	-1.0	-44.63	364.65	6.22	-38.41
COC(=O)C1CC2(C1)CC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020187124	1	46	-1.0	-44.69	364.71	6.24	-38.45
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CC(=O)NC1=CN=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187127	0	42	-1.0	-47.60	340.81	2.16	-45.44
CC(=O)NC1=CN=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187127	1	42	-1.0	-47.64	340.87	2.17	-45.47
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CC1CCCN2C(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN=C12	REAL300020187129	0	46	-1.0	-47.79	357.91	6.00	-41.79
CC1CCCN2C(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN=C12	REAL300020187129	1	46	-1.0	-47.78	357.97	6.01	-41.77
CC1=CC(C)=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CN21	REAL300020187130	0	42	-1.0	-56.22	340.10	6.39	-49.83
CC1=CC(C)=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CN21	REAL300020187130	1	42	-1.0	-56.23	340.15	6.40	-49.83
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300020187131	0	39	-1.0	-42.74	313.84	5.83	-36.91
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300020187131	1	39	-1.0	-42.75	313.90	5.85	-36.90
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C(Cl)S1	REAL300020187132	0	38	-1.0	-40.92	338.05	4.09	-36.83
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C(Cl)S1	REAL300020187132	1	38	-1.0	-40.92	338.00	4.08	-36.84
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CC(CCNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187136	0	52	-1.0	-44.45	398.16	3.34	-41.11
CC(CCNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187136	1	52	-1.0	-44.46	398.22	3.35	-41.11
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CC(C)(C)OC(=O)N1CC(C)(C)CCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187237	1	59	-1.0	-50.31	429.17	7.54	-42.77
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1(C)CC1	REAL300020187238	0	53	-1.0	-41.41	399.14	3.84	-37.57
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1(C)CC1	REAL300020187238	1	53	-1.0	-41.41	399.20	3.86	-37.55
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCC(C3=N[N-]N=N3)CC1)CO2	REAL300020187239	0	52	-1.0	-47.47	375.97	4.03	-43.44
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCC(C3=NN=N[N-]3)CC1)CO2	REAL300020187239	1	52	-1.0	-47.44	376.03	4.04	-43.40
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CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187240	1	53	-1.0	-43.91	400.09	3.99	-39.92
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O=C(C1=CC=C(C2=CNN=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187243	0	40	-1.0	-48.22	325.79	4.37	-43.85
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CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187244	0	48	-1.0	-45.12	371.65	4.05	-41.07
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187244	1	48	-1.0	-45.10	371.71	4.06	-41.04
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187245	0	52	-1.0	-46.58	408.53	4.96	-41.62
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187245	1	52	-1.0	-46.56	408.47	4.95	-41.61
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187246	0	51	-1.0	-48.68	393.60	5.50	-43.18
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187246	1	51	-1.0	-48.72	393.65	5.51	-43.21
C=CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187247	0	50	-1.0	-39.89	385.49	3.30	-36.59
C=CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187247	1	50	-1.0	-39.91	385.54	3.31	-36.60
CC1=CC(F)=CC=C1C(O)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187248	0	40	-1.0	-42.98	318.57	3.22	-39.76
CC1=CC(F)=CC=C1C(O)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187248	1	40	-1.0	-42.98	318.62	3.23	-39.75
CC1=CC=C2C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CNC2=C1	REAL300020187249	0	40	-1.0	-49.75	324.54	5.16	-44.59
CC1=CC=C2C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CNC2=C1	REAL300020187249	1	40	-1.0	-49.72	324.60	5.18	-44.54
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187250	0	50	-1.0	-42.30	380.17	-0.49	-42.79
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187250	1	50	-1.0	-42.31	380.22	-0.48	-42.79
CC(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2N1	REAL300020187251	0	42	-1.0	-53.18	348.76	5.12	-48.06
CC(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2N1	REAL300020187251	1	42	-1.0	-53.11	348.82	5.14	-47.97
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187252	0	57	-1.0	-45.18	422.64	4.99	-40.19
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187252	1	57	-1.0	-45.23	422.69	5.01	-40.22
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1Br	REAL300020187253	0	36	-1.0	-48.43	316.52	5.73	-42.70
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1Br	REAL300020187253	1	36	-1.0	-48.41	316.58	5.75	-42.66
CCC1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC1=O	REAL300020187254	0	44	-1.0	-44.72	334.36	5.10	-39.62
CCC1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC1=O	REAL300020187254	1	44	-1.0	-44.76	334.42	5.11	-39.65
O=C(C1=C2C=COC2=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187255	0	36	-1.0	-47.38	308.19	4.99	-42.39
O=C(C1=C2C=COC2=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187255	1	36	-1.0	-47.38	308.24	5.00	-42.38
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187256	0	53	-1.0	-46.10	398.47	5.56	-40.54
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187256	1	53	-1.0	-46.13	398.52	5.57	-40.56
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300020187257	0	59	-1.0	-39.65	430.56	5.66	-33.99
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020187257	1	59	-1.0	-39.64	430.62	5.67	-33.97
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187258	0	54	-1.0	-47.33	402.58	6.18	-41.15
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187258	1	54	-1.0	-47.33	402.64	6.20	-41.13
CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187259	0	56	-1.0	-50.50	416.81	6.11	-44.39
CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187259	1	56	-1.0	-50.53	416.87	6.12	-44.41
O=C(C1=CC=C2N=CC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187260	0	38	-1.0	-44.84	316.54	1.61	-43.23
O=C(C1=CC=C2N=CC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187260	1	38	-1.0	-44.90	316.60	1.63	-43.27
N#CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC12CCOCC2	REAL300020187261	0	42	-1.0	-39.61	333.10	3.74	-35.87
N#CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC12CCOCC2	REAL300020187261	1	42	-1.0	-39.64	333.15	3.75	-35.89
O=C([C@@H]1CCO[C@H]1C1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187262	0	43	-1.0	-43.93	339.57	3.65	-40.28
O=C([C@@H]1CCO[C@H]1C1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187262	1	43	-1.0	-43.87	339.51	3.64	-40.23
C=CCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300020187263	0	57	-1.0	-50.83	425.96	5.90	-44.93
C=CCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300020187263	1	57	-1.0	-50.82	426.02	5.92	-44.90
CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187264	0	51	-1.0	-45.56	390.43	2.25	-43.31
CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187264	1	51	-1.0	-45.59	390.49	2.26	-43.33
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020187265	0	42	-1.0	-42.67	350.39	3.41	-39.26
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020187265	1	42	-1.0	-42.63	350.33	3.39	-39.24
COC1=CC=C(C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2CCCCC2)C=C1	REAL300020187266	0	56	-1.0	-43.52	419.51	8.19	-35.33
COC1=CC=C(C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2CCCCC2)C=C1	REAL300020187266	1	56	-1.0	-43.56	419.57	8.21	-35.35
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=NC=CC=C2C=C1	REAL300020187267	0	42	-1.0	-54.84	344.32	4.43	-50.41
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=NC=CC=C2C=C1	REAL300020187267	1	42	-1.0	-54.86	344.27	4.42	-50.44
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O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C(F)(F)F)CC2(CCC2)C1	REAL300020187268	1	43	-1.0	-42.20	332.70	5.78	-36.42
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC=CN=C1	REAL300020187269	0	35	-1.0	-42.61	297.01	3.64	-38.97
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=CN=C1	REAL300020187269	1	35	-1.0	-42.59	296.96	3.62	-38.97
COCC1(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCOCC1	REAL300020187270	0	47	-1.0	-40.40	346.00	2.79	-37.61
COCC1(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCOCC1	REAL300020187270	1	47	-1.0	-40.45	346.05	2.80	-37.65
CC1(C)CC(=O)NCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187271	0	43	-1.0	-43.34	318.91	1.74	-41.60
CC1(C)CC(=O)NCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187271	1	43	-1.0	-43.36	318.97	1.75	-41.61
CCC(O)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020187272	0	43	-1.0	-42.76	320.12	3.79	-38.97
CCC(O)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020187272	1	43	-1.0	-42.76	320.17	3.81	-38.95
CC(C)(C)C1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187273	0	43	-1.0	-49.07	337.72	4.87	-44.20
CC(C)(C)C1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187273	1	43	-1.0	-49.10	337.77	4.88	-44.22
O=C([C@@H]1CC2=CN=CN2C(=O)N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187274	0	38	-1.0	-52.36	308.75	2.74	-49.62
O=C([C@@H]1CC2=CN=CN2C(=O)N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187274	1	38	-1.0	-52.38	308.69	2.72	-49.66
O=C(C1=CC=C(OC2=CC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187275	0	43	-1.0	-46.03	355.16	4.77	-41.26
O=C(C1=CC=C(OC2=CC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187275	1	43	-1.0	-46.01	355.11	4.75	-41.26
CC1=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=NN2C(C(F)F)=C1	REAL300020187276	0	41	-1.0	-58.94	349.37	4.80	-54.14
CC1=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=NN2C(C(F)F)=C1	REAL300020187276	1	41	-1.0	-58.97	349.42	4.81	-54.16
O=C(C1=COC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187277	0	40	-1.0	-45.28	316.02	5.29	-39.99
O=C(C1=COC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187277	1	40	-1.0	-45.29	316.07	5.31	-39.98
O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187278	0	48	-1.0	-45.94	373.58	5.28	-40.66
O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187278	1	48	-1.0	-46.01	373.65	5.30	-40.71
CCC(C)C(=O)N1CSC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187279	0	47	-1.0	-47.11	369.89	5.85	-41.26
CCC(C)C(=O)N1CSC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187279	1	47	-1.0	-47.14	369.95	5.87	-41.27
CC(C)(C)C1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187280	0	41	-1.0	-40.45	328.26	4.43	-36.02
CC(C)(C)C1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187280	1	41	-1.0	-40.42	328.20	4.41	-36.01
O=C(C1=CC2=C(C=C1Cl)OCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187281	0	36	-1.0	-42.94	311.39	3.59	-39.35
O=C(C1=CC2=C(C=C1Cl)OCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187281	1	36	-1.0	-42.99	311.45	3.60	-39.39
O=C(C1=CN=CC2=C(C(F)(F)F)C=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187282	0	41	-1.0	-41.78	343.92	5.66	-36.12
O=C(C1=CN=CC2=C(C(F)(F)F)C=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187282	1	41	-1.0	-41.78	343.86	5.65	-36.13
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C2CCCCN21	REAL300020187283	0	49	-1.0	-46.34	371.09	6.22	-40.12
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C2CCCCN21	REAL300020187283	1	49	-1.0	-46.34	371.14	6.23	-40.11
CC1=NC2=NC=NN2C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187284	0	37	-1.0	-45.81	312.47	6.03	-39.78
CC1=NC2=NC=NN2C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187284	1	37	-1.0	-45.79	312.53	6.05	-39.74
CC1=CC(C2CCC2)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187285	0	45	-1.0	-41.42	348.92	5.71	-35.71
CC1=CC(C2CCC2)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187285	1	45	-1.0	-41.45	348.98	5.72	-35.73
CC(C)[C@@H]1C[C@H](CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020187286	0	52	-1.0	-41.65	389.85	8.85	-32.80
CC(C)[C@@H]1C[C@H](CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020187286	1	52	-1.0	-41.65	389.91	8.87	-32.78
CC(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2S1	REAL300020187287	0	41	-1.0	-48.52	353.94	6.52	-42.00
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CC1=CC=C(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CCC2=O)C=C1	REAL300020187297	1	47	-1.0	-42.96	379.34	6.26	-36.70
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CCOC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC=CC1	REAL300020187301	0	43	-1.0	-39.68	335.13	5.27	-34.41
CCOC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC=CC1	REAL300020187301	1	43	-1.0	-39.73	335.19	5.29	-34.44
CC1=C(C)OC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020187302	0	41	-1.0	-45.48	333.23	2.34	-43.14
CC1=C(C)OC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020187302	1	41	-1.0	-45.48	333.28	2.36	-43.12
COCCOCCN1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020187303	0	47	-1.0	-46.49	383.13	2.99	-43.50
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CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C1=CC=CC=C1Cl	REAL300020187313	0	45	-1.0	-42.03	362.54	7.41	-34.62
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C1=CC=CC=C1Cl	REAL300020187313	1	45	-1.0	-42.02	362.60	7.42	-34.60
O=C(C1=CC=C(CC2CCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187314	0	46	-1.0	-42.62	361.60	7.96	-34.66
O=C(C1=CC=C(CC2CCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187314	1	46	-1.0	-42.65	361.65	7.98	-34.67
O=C(C1=CC=C(F)C(OC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187315	0	37	-1.0	-44.77	322.14	4.29	-40.48
O=C(C1=CC=C(F)C(OC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187315	1	37	-1.0	-44.77	322.20	4.31	-40.46
CN(C)C1=NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2O1	REAL300020187316	0	43	-1.0	-45.15	349.81	3.02	-42.13
CN(C)C1=NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2O1	REAL300020187316	1	43	-1.0	-45.15	349.75	3.00	-42.15
CS(=N)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020187317	0	40	-1.0	-55.64	335.39	1.17	-54.47
CS(=N)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020187317	1	40	-1.0	-55.67	335.45	1.19	-54.48
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187318	0	51	0.0	-66.60	352.53	5.76	-60.84
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187318	1	51	0.0	-66.28	351.15	5.75	-60.53
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187318	1	51	0.0	-66.64	352.59	5.78	-60.86
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187318	1	51	0.0	-66.29	351.21	5.76	-60.53
O=C(C1=CN(C2COC2)N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187319	0	37	-1.0	-44.17	304.36	0.46	-43.71
O=C(C1=CN(C2COC2)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187319	1	37	-1.0	-44.18	304.30	0.44	-43.74
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=C(F)C=C1F	REAL300020187320	0	36	-1.0	-39.77	312.59	5.47	-34.30
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC=C(F)C=C1F	REAL300020187320	1	36	-1.0	-39.77	312.64	5.48	-34.29
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=C1	REAL300020187321	0	50	-1.0	-47.05	405.36	3.91	-43.14
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=C1	REAL300020187321	1	50	-1.0	-47.07	405.42	3.92	-43.15
O=C(CCC1=CC=C(F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187322	0	38	-1.0	-43.75	317.38	4.43	-39.32
O=C(CCC1=CC=C(F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187322	1	38	-1.0	-43.76	317.32	4.41	-39.35
CC1=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C	REAL300020187323	0	36	-1.0	-46.49	310.71	3.92	-42.57
CC1=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C	REAL300020187323	1	36	-1.0	-46.53	310.77	3.93	-42.60
O=C(C1=CC=C(F)C(C(F)(F)F)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187324	0	36	-1.0	-48.47	317.54	5.51	-42.96
O=C(C1=CC=C(F)C(C(F)(F)F)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187324	1	36	-1.0	-48.49	317.60	5.52	-42.97
CC(=O)NCC1(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCC1	REAL300020187325	0	52	-1.0	-49.16	378.31	4.56	-44.60
CC(=O)NCC1(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCC1	REAL300020187325	1	52	-1.0	-49.10	378.37	4.57	-44.53
CC1(C)CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)(C)O1	REAL300020187326	0	49	-1.0	-41.44	361.39	5.16	-36.28
CC1(C)CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)(C)O1	REAL300020187326	1	49	-1.0	-41.37	361.45	5.17	-36.20
O=C(C1=CC=NC(Br)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187327	0	32	-1.0	-47.02	292.50	3.26	-43.76
O=C(C1=CC=NC(Br)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187327	1	32	-1.0	-47.02	292.44	3.24	-43.78
O=C(C1=C2C=C(Br)C=CC2=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187328	0	35	-1.0	-43.91	322.03	5.02	-38.89
O=C(C1=C2C=C(Br)C=CC2=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187328	1	35	-1.0	-43.85	321.98	5.01	-38.84
O=C(C1=C(C(F)F)N=C(C2CC2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187329	0	39	-1.0	-42.30	327.01	2.86	-39.44
O=C(C1=C(C(F)F)N=C(C2CC2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187329	1	39	-1.0	-42.32	327.07	2.87	-39.45
O=C(CCOC1=C(F)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187330	0	40	-1.0	-45.26	350.77	5.86	-39.40
O=C(CCOC1=C(F)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187330	1	40	-1.0	-45.26	350.83	5.87	-39.39
CS(C)(=O)=NC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020187331	0	39	-1.0	-61.38	337.75	1.61	-59.77
CS(C)(=O)=NC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020187331	1	39	-1.0	-61.40	337.81	1.63	-59.77
O=C(OCC1=CC=CC=C1)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187332	0	48	-1.0	-46.36	395.06	5.97	-40.39
O=C(OCC1=CC=CC=C1)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187332	1	48	-1.0	-46.36	395.12	5.98	-40.38
CC(C)CC(=O)N1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187333	0	52	-1.0	-53.11	383.86	6.97	-46.14
CC(C)CC(=O)N1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187333	1	52	-1.0	-53.11	383.92	6.98	-46.13
O=C(N1CCC(C2=N[N-]N=N2)CC1)C12OC3C4COCC3C1C42	REAL300020187334	0	41	-1.0	-42.44	315.28	2.81	-39.63
O=C(N1CCC(C2=NN=N[N-]2)CC1)C12OC3C4COCC3C1C42	REAL300020187334	1	41	-1.0	-42.47	315.34	2.83	-39.64
O=C(N1CCC(C2=N[N-]N=N2)CC1)C12CCC(CC(=O)C1)S2(=O)=O	REAL300020187335	0	42	-1.0	-50.92	326.05	1.10	-49.82
O=C(N1CCC(C2=NN=N[N-]2)CC1)C12CCC(CC(=O)C1)S2(=O)=O	REAL300020187335	1	42	-1.0	-50.93	326.11	1.11	-49.82
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2CCCO2)CCOCC1	REAL300020187336	0	48	-1.0	-39.37	340.83	2.61	-36.76
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2CCCO2)CCOCC1	REAL300020187336	1	48	-1.0	-39.39	340.89	2.62	-36.77
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O=C(CC1=CC2=CC=CC=C2N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187388	1	41	-1.0	-48.59	335.89	5.81	-42.78
CC1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)N2CC(F)(F)F)S1	REAL300020187389	0	43	-1.0	-45.15	370.01	7.13	-38.02
CC1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N2CC(F)(F)F)S1	REAL300020187389	1	43	-1.0	-45.14	370.06	7.15	-37.99
COC1(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCOCC1	REAL300020187390	0	44	-1.0	-40.32	332.42	2.84	-37.48
COC1(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCOCC1	REAL300020187390	1	44	-1.0	-40.31	332.48	2.86	-37.45
CC(C)(C)C1=NN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020187391	0	43	-1.0	-49.56	348.81	3.07	-46.49
CC(C)(C)C1=NN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=N1	REAL300020187391	1	43	-1.0	-49.54	348.75	3.05	-46.49
O=C(C1=CC2=C(C=CS2)N1CC1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187392	0	44	-1.0	-43.13	363.10	7.54	-35.59
O=C(C1=CC2=C(C=CS2)N1CC1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187392	1	44	-1.0	-43.14	363.16	7.56	-35.58
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187393	0	43	-1.0	-45.03	359.59	8.32	-36.71
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187393	1	43	-1.0	-45.01	359.65	8.33	-36.68
O=C(C1=NN(C2CC2(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187394	0	37	-1.0	-50.71	315.73	4.58	-46.13
O=C(C1=NN(C2CC2(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187394	1	37	-1.0	-50.64	315.67	4.57	-46.07
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020187395	0	57	-1.0	-46.82	434.45	8.80	-38.02
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020187395	1	57	-1.0	-46.83	434.51	8.81	-38.02
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CO1	REAL300020187396	0	50	-1.0	-47.76	396.88	3.12	-44.64
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CO1	REAL300020187396	1	50	-1.0	-47.76	396.94	3.13	-44.63
O=C(C(F)C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187397	0	36	-1.0	-44.19	303.42	5.53	-38.66
O=C(C(F)C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187397	1	36	-1.0	-44.20	303.47	5.54	-38.66
O=C(C1=CC2=C(C=C(Br)S2)N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187398	0	34	-1.0	-41.62	312.54	4.71	-36.91
O=C(C1=CC2=C(C=C(Br)S2)N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187398	1	34	-1.0	-41.63	312.60	4.73	-36.90
COC1=NC=CC(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187399	0	36	-1.0	-45.04	321.34	1.91	-43.13
COC1=NC=CC(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187399	1	36	-1.0	-45.04	321.28	1.90	-43.14
O=C(C1C2CC1(C1=CC=C(F)C=C1)CC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187400	0	47	-1.0	-43.74	364.89	8.08	-35.66
O=C(C1C2CC1(C1=CC=C(F)C=C1)CC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187400	1	47	-1.0	-43.77	364.95	8.10	-35.67
CCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020187401	0	39	-1.0	-43.38	329.40	6.30	-37.08
CCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020187401	1	39	-1.0	-43.43	329.46	6.32	-37.11
CCCC1=C(Br)C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020187402	0	39	-1.0	-41.42	343.44	6.31	-35.11
CCCC1=C(Br)C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020187402	1	39	-1.0	-41.42	343.50	6.32	-35.10
CSC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020187403	0	37	-1.0	-44.77	329.27	5.96	-38.81
CSC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020187403	1	37	-1.0	-44.75	329.33	5.98	-38.77
O=C(C1=CC2=C(N1)C(Br)=CS2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187404	0	34	-1.0	-41.64	312.27	4.56	-37.08
O=C(C1=CC2=C(N1)C(Br)=CS2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187404	1	34	-1.0	-41.65	312.33	4.58	-37.07
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC(Br)=C1F	REAL300020187405	0	37	-1.0	-45.54	327.25	4.80	-40.74
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC(Br)=C1F	REAL300020187405	1	37	-1.0	-45.58	327.31	4.82	-40.76
O=C(C1=CC(=O)NC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187406	0	43	-1.0	-48.41	353.64	5.06	-43.35
O=C(C1=CC(=O)NC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187406	1	43	-1.0	-48.43	353.58	5.05	-43.38
O=C(C1=COC2=CC(F)=CC(F)=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187407	0	36	-1.0	-48.06	311.42	5.07	-42.99
O=C(C1=COC2=CC(F)=CC(F)=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187407	1	36	-1.0	-48.09	311.48	5.09	-43.00
O=C(C1=CN(CCCF)N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187408	0	38	-1.0	-47.80	317.92	3.13	-44.67
O=C(C1=CN(CCCF)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187408	1	38	-1.0	-47.75	317.87	3.12	-44.63
CCN1C=C(OC2=CN=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)C=N1	REAL300020187409	0	45	-1.0	-46.07	370.12	3.19	-42.88
CCN1C=C(OC2=CN=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)C=N1	REAL300020187409	1	45	-1.0	-46.01	370.06	3.17	-42.84
N#CC1=C2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN2N=C1	REAL300020187410	0	36	-1.0	-46.52	318.17	4.00	-42.52
N#CC1=C2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN2N=C1	REAL300020187410	1	36	-1.0	-46.49	318.12	3.98	-42.51
O=C(C1=NC=C(OCC2CC2)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187411	0	43	-1.0	-44.82	351.98	5.39	-39.43
O=C(C1=NC=C(OCC2CC2)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187411	1	43	-1.0	-44.82	351.92	5.38	-39.44
CN1N=CC2=C1SC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)=C2	REAL300020187412	0	36	-1.0	-43.92	309.32	3.52	-40.40
CN1N=CC2=C1SC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)=C2	REAL300020187412	1	36	-1.0	-43.90	309.27	3.51	-40.39
COC1=CC=CC=C1N1C=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187413	0	44	-1.0	-46.94	359.86	7.15	-39.79
COC1=CC=CC=C1N1C=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187413	1	44	-1.0	-46.94	359.81	7.13	-39.81
O=C(C1=CN=C(C2CCOCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187414	0	45	-1.0	-42.77	354.27	3.03	-39.74
O=C(C1=CN=C(C2CCOCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187414	1	45	-1.0	-42.78	354.33	3.05	-39.73
CC(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2N=C1	REAL300020187415	0	43	-1.0	-48.72	351.53	5.42	-43.30
CC(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2N=C1	REAL300020187415	1	43	-1.0	-48.72	351.59	5.44	-43.28
O=C(N1CC2=CC=CC=C2C1)C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020187416	0	48	-1.0	-46.45	383.59	6.34	-40.11
O=C(N1CC2=CC=CC=C2C1)C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020187416	1	48	-1.0	-46.48	383.64	6.35	-40.13
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C[C@@H]2CCC[C@@H]21	REAL300020187417	0	57	-1.0	-48.28	420.69	7.55	-40.73
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C[C@@H]2CCC[C@@H]21	REAL300020187417	1	57	-1.0	-48.34	420.75	7.57	-40.77
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(Br)=C1C	REAL300020187418	0	39	-1.0	-41.65	325.17	6.10	-35.55
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(Br)=C1C	REAL300020187418	1	39	-1.0	-41.65	325.23	6.12	-35.53
O=C(C1CC2C=CCC(C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187419	0	44	-1.0	-40.58	288.54	5.88	-34.70
O=C(C1CC2C=CCC(C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187419	1	44	-1.0	-40.57	288.60	5.90	-34.67
CC(C)CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=CC=CC=C1	REAL300020187420	0	52	-1.0	-45.39	404.03	8.44	-36.95
CC(C)CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=CC=CC=C1	REAL300020187420	1	52	-1.0	-45.39	404.08	8.46	-36.93
CC1CCN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC1	REAL300020187421	0	51	-1.0	-42.94	383.50	6.28	-36.66
CC1CCN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020187421	1	51	-1.0	-42.91	383.56	6.29	-36.62
O=C(CC1=CC=NC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187422	0	35	-1.0	-42.98	304.05	4.11	-38.87
O=C(CC1=CC=NC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187422	1	35	-1.0	-43.01	304.11	4.13	-38.88
O=C(C1=CC2=CC=C(O)C=C2N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187423	0	38	-1.0	-44.15	313.99	1.94	-42.21
O=C(C1=CC2=CC=C(O)C=C2N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187423	1	38	-1.0	-44.15	314.05	1.96	-42.19
CC1=CC(=O)N2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2N1	REAL300020187424	0	39	-1.0	-50.92	324.68	2.79	-48.13
CC1=CC(=O)N2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2N1	REAL300020187424	1	39	-1.0	-50.95	324.74	2.81	-48.14
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187425	0	44	-1.0	-45.27	344.69	3.54	-41.73
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187425	1	44	-1.0	-45.30	344.74	3.55	-41.75
CS(=N)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187426	0	40	-1.0	-60.86	333.54	1.11	-59.75
CS(=N)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187426	1	40	-1.0	-60.82	333.60	1.13	-59.69
COC1=CC=C(C(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020187427	0	43	-1.0	-46.61	343.14	5.14	-41.47
COC1=CC=C(C(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020187427	1	43	-1.0	-46.62	343.20	5.15	-41.47
COC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC(F)(F)C1	REAL300020187428	0	40	-1.0	-43.62	323.14	4.72	-38.90
COC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC(F)(F)C1	REAL300020187428	1	40	-1.0	-43.66	323.20	4.73	-38.93
CC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NN=CN1	REAL300020187429	0	41	-1.0	-43.09	324.43	4.20	-38.89
CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NN=CN1	REAL300020187429	1	41	-1.0	-43.09	324.49	4.22	-38.87
COC(F)(F)C(F)(F)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020187430	0	43	-1.0	-42.87	366.61	5.20	-37.67
COC(F)(F)C(F)(F)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020187430	1	43	-1.0	-42.87	366.67	5.22	-37.65
CC(C)(C)C1(C)CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187431	0	48	-1.0	-41.21	347.85	6.19	-35.02
CC(C)(C)C1(C)CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187431	1	48	-1.0	-41.24	347.91	6.20	-35.04
O=C(C1=COC(C2=CC=C(F)C=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187432	0	39	-1.0	-42.41	333.74	4.24	-38.17
O=C(C1=COC(C2=CC=C(F)C=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187432	1	39	-1.0	-42.42	333.69	4.23	-38.19
O=C(COCC1=NC(C2CC2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187433	0	42	-1.0	-51.85	352.14	2.98	-48.87
O=C(COCC1=NC(C2CC2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187433	1	42	-1.0	-51.89	352.20	3.00	-48.89
CN1CCC2=CC(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020187434	0	45	-1.0	-44.75	355.48	5.30	-39.45
CN1CCC2=CC(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020187434	1	45	-1.0	-44.80	355.54	5.32	-39.48
CC1=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C	REAL300020187435	0	42	-1.0	-45.12	338.36	4.40	-40.72
CC1=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C	REAL300020187435	1	42	-1.0	-45.12	338.42	4.42	-40.70
O=C(CN1C=NC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187436	0	33	-1.0	-48.44	297.32	4.97	-43.47
O=C(CN1C=NC(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187436	1	33	-1.0	-48.39	297.26	4.96	-43.43
O=C(N1CCC(C2=N[N-]N=N2)CC1)[C@]12CCC[C@H]1CC(=O)C2	REAL300020187437	0	42	-1.0	-45.94	311.79	4.49	-41.45
O=C(N1CCC(C2=NN=N[N-]2)CC1)[C@]12CCC[C@H]1CC(=O)C2	REAL300020187437	1	42	-1.0	-45.93	311.85	4.50	-41.43
O=C(C1=CC=C2C(=C1)CNC2=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187438	0	38	-1.0	-46.11	312.74	1.93	-44.18
O=C(C1=CC=C2C(=C1)CNC2=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187438	1	38	-1.0	-46.15	312.80	1.94	-44.21
CCS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020187439	0	44	-1.0	-47.42	368.24	1.91	-45.51
CCS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020187439	1	44	-1.0	-47.41	368.30	1.93	-45.48
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C[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300020187520	1	45	-1.0	-41.60	368.33	7.73	-33.87
C[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C2OCOC2=C1	REAL300020187521	0	45	-1.0	-44.00	355.53	5.35	-38.65
C[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C2OCOC2=C1	REAL300020187521	1	45	-1.0	-43.99	355.59	5.36	-38.63
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CC1=NN(C(C)C)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187525	0	45	-1.0	-45.27	360.44	5.03	-40.24
CC1=NN(C(C)C)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187525	1	45	-1.0	-45.33	360.49	5.04	-40.29
O=C(C1=CON=C1C1CCCO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187526	0	40	-1.0	-47.53	324.37	2.88	-44.65
O=C(C1=CON=C1C1CCCO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187526	1	40	-1.0	-47.57	324.43	2.90	-44.67
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC1	REAL300020187527	0	53	-1.0	-48.13	405.48	4.83	-43.30
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC1	REAL300020187527	1	53	-1.0	-48.14	405.54	4.85	-43.29
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC1	REAL300020187528	0	53	-1.0	-48.17	405.52	4.85	-43.32
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC1	REAL300020187528	1	53	-1.0	-48.20	405.58	4.86	-43.34
O=C(C1=CC=C(CN2C(=O)CCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189529	0	43	-1.0	-49.03	358.18	4.71	-44.32
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O=C(NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C1CC1	REAL300020189531	1	41	-1.0	-56.64	337.33	4.06	-52.58
CC(C)(C)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189532	0	48	-1.0	-42.27	378.32	7.91	-34.36
CC(C)(C)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189532	1	48	-1.0	-42.28	378.39	7.91	-34.37
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CCN1C2=C(C=CC=C2)C2=C1C=CC(C=CC(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020189534	0	50	-1.0	-47.76	411.24	9.97	-37.79
CCN1C2=C(C=CC=C2)C2=C1C=CC(C=CC(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020189534	1	50	-1.0	-47.75	411.31	9.98	-37.77
CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189535	0	46	-1.0	-42.79	393.01	6.46	-36.33
CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189535	1	46	-1.0	-42.78	393.08	6.47	-36.31
COC1=CC=CC=C1C(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020189536	0	50	-1.0	-44.13	388.11	4.95	-39.18
COC1=CC=CC=C1C(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020189536	1	50	-1.0	-44.12	388.18	4.96	-39.16
COC1=CC=C(C)C=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189537	0	41	-1.0	-46.93	339.64	5.28	-41.65
COC1=CC=C(C)C=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189537	1	41	-1.0	-46.91	339.71	5.28	-41.63
CN1C(=O)C=CN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020189538	0	36	-1.0	-53.52	308.44	2.76	-50.76
CN1C(=O)C=CN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020189538	1	36	-1.0	-53.50	308.51	2.76	-50.74
COC1=CC=C(C2(C)NC(=O)N(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=O)C=C1	REAL300020189539	0	49	-1.0	-50.46	405.32	3.08	-47.38
COC1=CC=C(C2(C)NC(=O)N(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020189539	1	49	-1.0	-50.45	405.39	3.10	-47.35
O=C(C1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189540	0	41	-1.0	-47.04	327.83	4.67	-42.37
O=C(C1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189540	1	41	-1.0	-47.04	327.90	4.68	-42.36
O=C(CSC1=CC=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189541	0	34	-1.0	-43.79	311.95	5.38	-38.41
O=C(CSC1=CC=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189541	1	34	-1.0	-43.80	312.02	5.38	-38.42
CSC1=NC(C)=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020189542	0	44	-1.0	-44.48	368.96	5.05	-39.43
CSC1=NC(C)=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020189542	1	44	-1.0	-44.47	369.04	5.07	-39.40
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O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189594	0	41	-1.0	-47.64	349.42	6.50	-41.14
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189594	1	41	-1.0	-47.67	349.49	6.50	-41.17
O=C(C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189595	0	37	-1.0	-39.92	348.99	6.75	-33.17
O=C(C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189595	1	37	-1.0	-39.95	349.06	6.77	-33.18
O=C(C1=CC=C(C2=CC=CC=C2Cl)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189596	0	37	-1.0	-43.33	333.72	6.37	-36.96
O=C(C1=CC=C(C2=CC=CC=C2Cl)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189596	1	37	-1.0	-43.39	333.79	6.38	-37.01
O=C(C1=CC=CC=C1OCC1=CN2C=CC=CC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189597	0	47	-1.0	-52.12	390.29	8.31	-43.81
O=C(C1=CC=CC=C1OCC1=CN2C=CC=CC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189597	1	47	-1.0	-52.11	390.36	8.31	-43.80
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189598	0	36	-1.0	-42.30	336.72	5.78	-36.52
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189598	1	36	-1.0	-42.30	336.65	5.77	-36.53
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1Br	REAL300020189599	0	38	-1.0	-41.17	332.43	3.06	-38.11
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1Br	REAL300020189599	1	38	-1.0	-41.19	332.51	3.06	-38.13
CC(C)N1N=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C21	REAL300020189600	0	48	-1.0	-43.04	390.63	6.44	-36.60
CC(C)N1N=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C21	REAL300020189600	1	48	-1.0	-43.05	390.71	6.44	-36.61
O=C(C1=CN=CN1C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189601	0	37	-1.0	-43.51	314.71	6.16	-37.35
O=C(C1=CN=CN1C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189601	1	37	-1.0	-43.50	314.64	6.16	-37.34
O=C(C1=CC(C2=CC=CC=C2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189602	0	37	-1.0	-41.85	312.17	4.09	-37.76
O=C(C1=CC(C2=CC=CC=C2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189602	1	37	-1.0	-41.87	312.24	4.10	-37.77
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020189603	0	42	-1.0	-45.31	348.82	3.84	-41.47
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020189603	1	42	-1.0	-45.32	348.90	3.85	-41.47
CC1=NOC(C)=C1CSC1=NC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189604	0	45	-1.0	-48.48	387.76	5.84	-42.64
CC1=NOC(C)=C1CSC1=NC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189604	1	45	-1.0	-48.51	387.68	5.82	-42.69
O=C(C1=CC=CS1)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189605	0	39	-1.0	-50.63	347.57	6.27	-44.36
O=C(C1=CC=CS1)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189605	1	39	-1.0	-50.62	347.65	6.28	-44.34
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189606	0	38	-1.0	-48.91	323.88	4.46	-44.45
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189606	1	38	-1.0	-48.92	323.95	4.47	-44.45
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=C(NC=NC2=O)O1	REAL300020189607	0	35	-1.0	-65.64	309.45	0.65	-64.99
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=C(NC=NC2=O)O1	REAL300020189607	1	35	-1.0	-65.69	309.53	0.66	-65.03
O=C(C1=C(N2C=CC=C2)SC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189608	0	45	-1.0	-45.36	371.78	8.49	-36.87
O=C(C1=C(N2C=CC=C2)SC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189608	1	45	-1.0	-45.36	371.85	8.50	-36.86
CCS(=O)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189609	0	38	-1.0	-58.94	319.78	4.73	-54.21
CCS(=O)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189609	1	38	-1.0	-58.96	319.86	4.74	-54.22
O=C(C1=CC2=C(CCCCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189610	0	40	-1.0	-42.19	323.27	5.98	-36.21
O=C(C1=CC2=C(CCCCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189610	1	40	-1.0	-42.23	323.35	5.99	-36.24
O=C(C1=CC2=C(CCCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189611	0	37	-1.0	-42.24	305.98	5.38	-36.86
O=C(C1=CC2=C(CCCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189611	1	37	-1.0	-42.28	306.06	5.38	-36.90
O=C(C1=CC=C2C(=C1)CC(C1=CC=CC=C1)OC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189612	0	47	-1.0	-46.52	385.70	8.26	-38.26
O=C(C1=CC=C2C(=C1)CC(C1=CC=CC=C1)OC2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189612	1	47	-1.0	-46.55	385.78	8.27	-38.28
CC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=C(C)C=C1	REAL300020189613	0	51	-1.0	-45.79	419.27	9.94	-35.85
CC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=C(C)C=C1	REAL300020189613	1	51	-1.0	-45.83	419.35	9.96	-35.87
O=C(C1=CC=C(C2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189614	0	37	-1.0	-42.51	326.70	6.47	-36.04
O=C(C1=CC=C(C2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189614	1	37	-1.0	-42.57	326.78	6.48	-36.09
CCCCC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189615	0	45	-1.0	-43.97	366.63	7.77	-36.20
CCCCC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189615	1	45	-1.0	-43.97	366.70	7.78	-36.19
O=C(C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189616	0	38	-1.0	-49.61	326.87	7.19	-42.42
O=C(C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189616	1	38	-1.0	-49.61	326.79	7.18	-42.43
O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189617	0	38	-1.0	-54.99	332.45	1.34	-53.65
O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189617	1	38	-1.0	-54.97	332.52	1.35	-53.62
CC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=C1	REAL300020189618	0	48	-1.0	-46.04	397.89	9.28	-36.76
CC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=C1	REAL300020189618	1	48	-1.0	-46.06	397.96	9.28	-36.78
CC1=CC=CC(C(=O)NC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189619	0	47	-1.0	-44.92	386.45	6.65	-38.27
CC1=CC=CC(C(=O)NC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189619	1	47	-1.0	-44.96	386.52	6.67	-38.29
COC1=CC=C(C(=O)NC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189620	0	48	-1.0	-44.61	391.59	5.30	-39.31
COC1=CC=C(C(=O)NC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189620	1	48	-1.0	-44.60	391.66	5.31	-39.29
O=C(CC12CC3CC(CC(O)(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189621	0	48	-1.0	-42.20	346.38	3.32	-38.88
O=C(CC12CC3CC(CC(O)(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189621	1	48	-1.0	-42.19	346.45	3.34	-38.85
O=C(C1=CC=C(SC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189622	0	34	-1.0	-41.05	306.26	5.00	-36.05
O=C(C1=CC=C(SC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189622	1	34	-1.0	-41.06	306.33	5.02	-36.04
CC1=NC(C2=CC=CC=C2)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020189623	0	39	-1.0	-44.30	333.48	5.14	-39.16
CC1=NC(C2=CC=CC=C2)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020189623	1	39	-1.0	-44.30	333.40	5.13	-39.17
COC1=CC=C2OC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020189624	0	40	-1.0	-41.98	331.61	4.45	-37.53
COC1=CC=C2OC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020189624	1	40	-1.0	-41.97	331.68	4.46	-37.51
CC(=O)CCC1=CC=C2OC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020189625	0	47	-1.0	-44.80	389.56	7.28	-37.52
CC(=O)CCC1=CC=C2OC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020189625	1	47	-1.0	-44.78	389.63	7.29	-37.49
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=C(Br)C=C21	REAL300020189626	0	36	-1.0	-39.68	323.33	5.78	-33.90
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=C(Br)C=C21	REAL300020189626	1	36	-1.0	-39.65	323.40	5.80	-33.85
CCOC1=CC=C2OC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020189627	0	43	-1.0	-41.60	353.46	5.37	-36.23
CCOC1=CC=C2OC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020189627	1	43	-1.0	-41.64	353.53	5.39	-36.25
O=C(C1=C(COC2=CC=CC=C2)C2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189628	0	47	-1.0	-45.16	391.86	7.76	-37.40
O=C(C1=C(COC2=CC=CC=C2)C2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189628	1	47	-1.0	-45.11	391.94	7.76	-37.35
COCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020189629	0	40	-1.0	-43.92	335.64	4.21	-39.71
COCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020189629	1	40	-1.0	-43.89	335.71	4.21	-39.68
CC(C)OCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020189630	0	46	-1.0	-44.16	377.77	5.93	-38.23
CC(C)OCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020189630	1	46	-1.0	-44.20	377.84	5.93	-38.27
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=C(F)C=C21	REAL300020189631	0	36	-1.0	-40.05	308.55	5.23	-34.82
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=C(F)C=C21	REAL300020189631	1	36	-1.0	-40.03	308.62	5.24	-34.79
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=C(F)C=CC=C12	REAL300020189632	0	36	-1.0	-43.09	308.48	5.22	-37.87
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=C(F)C=CC=C12	REAL300020189632	1	36	-1.0	-43.07	308.55	5.23	-37.84
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=C(Cl)C=C21	REAL300020189633	0	36	-1.0	-39.80	318.77	5.68	-34.12
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=C(Cl)C=C21	REAL300020189633	1	36	-1.0	-39.80	318.85	5.69	-34.11
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020189634	0	50	-1.0	-44.20	384.68	4.84	-39.36
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020189634	1	50	-1.0	-44.24	384.76	4.85	-39.39
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020189635	0	44	-1.0	-42.97	378.91	6.51	-36.46
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020189635	1	44	-1.0	-42.96	378.98	6.51	-36.45
CCC1=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020189636	0	43	-1.0	-44.14	363.32	7.33	-36.81
CCC1=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020189636	1	43	-1.0	-44.14	363.39	7.35	-36.79
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189637	0	43	-1.0	-46.25	361.02	6.78	-39.47
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189637	1	43	-1.0	-46.24	360.95	6.77	-39.47
O=C(CCCC1=CC=C(Br)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189638	0	36	-1.0	-45.24	335.53	6.17	-39.07
O=C(CCCC1=CC=C(Br)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189638	1	36	-1.0	-45.26	335.60	6.19	-39.07
CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1N=NC(C2=CC=C(Cl)C=C2)=N1	REAL300020189639	0	44	-1.0	-45.12	387.74	5.33	-39.79
CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1N=NC(C2=CC=C(Cl)C=C2)=N1	REAL300020189639	1	44	-1.0	-45.10	387.81	5.34	-39.76
CC(C)(C)OC(=O)NCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189640	0	46	-1.0	-45.89	368.72	2.33	-43.56
CC(C)(C)OC(=O)NCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189640	1	46	-1.0	-45.92	368.80	2.34	-43.58
O=C(CCSC1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189641	0	39	-1.0	-48.28	356.19	5.72	-42.56
O=C(CCSC1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189641	1	39	-1.0	-48.26	356.12	5.70	-42.56
CC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020189642	0	42	-1.0	-47.66	338.61	4.66	-43.00
CC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020189642	1	42	-1.0	-47.62	338.68	4.67	-42.95
CC1=CC(C)=C2C(=N1)SC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2N1C=CC=C1	REAL300020189643	0	46	-1.0	-44.61	379.11	7.62	-36.99
CC1=CC(C)=C2C(=N1)SC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2N1C=CC=C1	REAL300020189643	1	46	-1.0	-44.61	379.18	7.64	-36.97
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O=C(C1=CC=CC=C1SCC1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189644	1	41	-1.0	-47.05	363.47	7.69	-39.36
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COC1=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020189657	0	44	-1.0	-45.17	361.13	4.18	-40.99
COC1=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020189657	1	44	-1.0	-45.13	361.21	4.19	-40.94
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COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020189667	0	40	-1.0	-45.49	326.07	5.32	-40.17
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020189667	1	40	-1.0	-45.46	326.15	5.33	-40.13
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CC1=NC(C2=CNC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=CS1	REAL300020189669	0	37	-1.0	-50.38	325.00	3.38	-47.00
CC1=NC(C2=CNC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=CS1	REAL300020189669	1	37	-1.0	-50.35	325.07	3.38	-46.97
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CC1=NN(CC(C)C)C(C)=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189671	0	51	-1.0	-45.11	404.67	6.73	-38.38
CC1=NN(CC(C)C)C(C)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189671	1	51	-1.0	-45.10	404.75	6.74	-38.36
CC1=CC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020189672	0	42	-1.0	-54.55	349.33	6.93	-47.62
CC1=CC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020189672	1	42	-1.0	-54.54	349.41	6.94	-47.60
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300020189673	0	39	-1.0	-40.97	350.97	5.81	-35.16
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300020189673	1	39	-1.0	-40.95	350.90	5.80	-35.15
O=C(C1=CC2=CC=CC=C2C(=O)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189674	0	36	-1.0	-43.26	311.67	3.02	-40.24
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O=C(C1=CC(C2=CC=C(Br)C=C2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189675	1	37	-1.0	-40.69	333.50	4.73	-35.96
O=C(CCC1=NC2=CC=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189676	0	39	-1.0	-45.24	328.37	4.27	-40.97
O=C(CCC1=NC2=CC=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189676	1	39	-1.0	-45.22	328.44	4.27	-40.95
CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189677	0	42	-1.0	-55.02	347.80	6.27	-48.75
CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189677	1	42	-1.0	-55.00	347.88	6.28	-48.72
O=C(C1=CC2=C(S1)C1=C(C=CC=C1)S2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189678	0	36	-1.0	-42.68	326.89	6.64	-36.04
O=C(C1=CC2=C(S1)C1=C(C=CC=C1)S2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189678	1	36	-1.0	-42.71	326.97	6.66	-36.05
O=C(CCC1=NC(C2=CSC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189679	0	38	-1.0	-44.46	343.30	3.11	-41.35
O=C(CCC1=NC(C2=CSC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189679	1	38	-1.0	-44.45	343.22	3.11	-41.34
CC(=O)C1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020189680	0	42	-1.0	-47.48	357.07	6.19	-41.29
CC(=O)C1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020189680	1	42	-1.0	-47.48	357.14	6.21	-41.27
O=C(C1=CC=C(C2=NC3=CC=CC=C3S2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189681	0	39	-1.0	-45.06	351.16	5.38	-39.68
O=C(C1=CC=C(C2=NC3=CC=CC=C3S2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189681	1	39	-1.0	-45.01	351.08	5.38	-39.63
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=C1C=CC1=C2C=CC=C1	REAL300020189682	0	42	-1.0	-43.17	348.07	7.41	-35.76
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=C1C=CC1=C2C=CC=C1	REAL300020189682	1	42	-1.0	-43.19	348.15	7.42	-35.77
CC1=CC=CC(NC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020189683	0	48	-1.0	-45.90	380.72	7.49	-38.41
CC1=CC=CC(NC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020189683	1	48	-1.0	-45.94	380.80	7.50	-38.44
CN(C)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189684	0	44	-1.0	-43.69	353.64	5.99	-37.70
CN(C)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189684	1	44	-1.0	-43.69	353.72	6.00	-37.69
CC1=CC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=N1	REAL300020189685	0	35	-1.0	-43.75	311.92	3.66	-40.09
CC1=CC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=N1	REAL300020189685	1	35	-1.0	-43.81	311.99	3.67	-40.14
CCOC1=CC=CC=C1C(=O)NCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189686	0	50	-1.0	-50.90	407.89	5.49	-45.41
CCOC1=CC=CC=C1C(=O)NCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189686	1	50	-1.0	-50.88	407.97	5.50	-45.38
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189687	0	46	-1.0	-50.39	376.08	6.82	-43.57
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189687	1	46	-1.0	-50.41	376.15	6.84	-43.57
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189688	0	49	-1.0	-39.88	389.44	5.42	-34.46
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189688	1	49	-1.0	-39.85	389.51	5.43	-34.42
CCOC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189689	0	41	-1.0	-45.71	339.10	2.71	-43.00
CCOC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189689	1	41	-1.0	-45.71	339.17	2.72	-42.99
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2Cl)=NO1	REAL300020189690	0	39	-1.0	-42.70	346.09	6.35	-36.35
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2Cl)=NO1	REAL300020189690	1	39	-1.0	-42.68	346.01	6.34	-36.34
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189691	0	47	-1.0	-44.87	378.42	6.46	-38.41
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189691	1	47	-1.0	-44.89	378.49	6.46	-38.43
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189692	0	45	-1.0	-44.42	368.76	4.04	-40.38
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189692	1	45	-1.0	-44.40	368.84	4.05	-40.35
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189693	0	44	-1.0	-45.00	359.97	5.58	-39.42
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189693	1	44	-1.0	-45.01	360.05	5.58	-39.43
CCS(=O)(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020189694	0	44	-1.0	-41.60	357.47	1.47	-40.13
CCS(=O)(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020189694	1	44	-1.0	-41.59	357.54	1.48	-40.11
O=C(CC1=CSC(N2CCCC2=O)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189695	0	40	-1.0	-58.47	348.74	4.20	-54.27
O=C(CC1=CSC(N2CCCC2=O)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189695	1	40	-1.0	-58.40	348.82	4.21	-54.19
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189696	0	40	-1.0	-44.43	335.71	4.49	-39.94
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189696	1	40	-1.0	-44.44	335.78	4.49	-39.95
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189697	0	53	-1.0	-46.39	431.11	8.49	-37.90
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189697	1	53	-1.0	-46.39	431.19	8.49	-37.90
O=C(NC1=CC=CC=C1)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020189698	0	49	-1.0	-49.80	385.97	5.60	-44.20
O=C(NC1=CC=CC=C1)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020189698	1	49	-1.0	-49.79	386.04	5.62	-44.17
CON(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189699	0	42	-1.0	-47.73	357.14	1.54	-46.19
CON(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189699	1	42	-1.0	-47.78	357.22	1.55	-46.23
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189700	0	39	-1.0	-45.15	351.95	5.57	-39.58
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189700	1	39	-1.0	-45.15	352.03	5.59	-39.56
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020189701	0	48	-1.0	-43.81	396.33	8.79	-35.02
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020189701	1	48	-1.0	-43.83	396.40	8.81	-35.02
CC1=CC2=CC=CC=C2N1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189702	0	40	-1.0	-47.72	333.79	6.67	-41.05
CC1=CC2=CC=CC=C2N1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189702	1	40	-1.0	-47.75	333.87	6.69	-41.06
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189703	0	46	-1.0	-44.31	381.27	6.53	-37.78
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189703	1	46	-1.0	-44.33	381.35	6.53	-37.80
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189704	0	46	-1.0	-45.43	396.30	7.04	-38.39
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189704	1	46	-1.0	-45.42	396.38	7.05	-38.37
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189705	0	43	-1.0	-44.36	360.15	6.16	-38.20
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189705	1	43	-1.0	-44.36	360.22	6.17	-38.19
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189706	0	43	-1.0	-42.01	381.16	6.54	-35.47
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189706	1	43	-1.0	-41.99	381.23	6.55	-35.44
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189707	0	40	-1.0	-43.33	355.60	6.04	-37.29
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189707	1	40	-1.0	-43.36	355.68	6.04	-37.32
CC1=CC=C(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(C3=CC=CC=C3)=N2)C=C1	REAL300020189708	0	50	-1.0	-47.15	405.97	9.07	-38.08
CC1=CC=C(N2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(C3=CC=CC=C3)=N2)C=C1	REAL300020189708	1	50	-1.0	-47.11	405.90	9.06	-38.05
CC1CCN(C2=CC=C([N+](=O)[O-])C=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020189709	0	50	-1.0	-45.67	394.48	6.56	-39.11
CC1CCN(C2=CC=C([N+](=O)[O-])C=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020189709	1	50	-1.0	-45.71	394.56	6.58	-39.13
O=C(C1=CC=CC=C1N1CCCC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189710	0	41	-1.0	-52.04	337.43	5.43	-46.61
O=C(C1=CC=CC=C1N1CCCC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189710	1	41	-1.0	-52.05	337.50	5.45	-46.60
O=C(C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189711	0	46	-1.0	-49.47	385.24	8.26	-41.21
O=C(C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189711	1	46	-1.0	-49.51	385.16	8.25	-41.26
O=C(C1=CC=C2C(=C1)N=C1CCCN1C2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189712	0	42	-1.0	-48.27	341.95	4.84	-43.43
O=C(C1=CC=C2C(=C1)N=C1CCCN1C2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189712	1	42	-1.0	-48.29	342.02	4.85	-43.44
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189713	0	47	-1.0	-46.65	387.29	7.42	-39.23
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189713	1	47	-1.0	-46.68	387.36	7.42	-39.26
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189714	0	44	-1.0	-44.51	386.51	7.38	-37.13
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189714	1	44	-1.0	-44.52	386.58	7.38	-37.14
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=C1C(=O)N1CCCC1=N2	REAL300020189715	0	42	-1.0	-50.39	347.96	4.85	-45.54
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=C1C(=O)N1CCCC1=N2	REAL300020189715	1	42	-1.0	-50.40	348.03	4.87	-45.53
O=C(CC1=CSC(C2=CC=CC=C2Cl)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189716	0	39	-1.0	-50.03	354.83	6.02	-44.01
O=C(CC1=CSC(C2=CC=CC=C2Cl)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189716	1	39	-1.0	-50.06	354.75	6.01	-44.05
O=C(C1=CC(N2CCCC2)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189717	0	41	-1.0	-42.99	327.70	3.24	-39.75
O=C(C1=CC(N2CCCC2)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189717	1	41	-1.0	-43.00	327.78	3.25	-39.75
CC1=NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2N=C1C	REAL300020189718	0	40	-1.0	-45.02	324.92	3.09	-41.93
CC1=NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2N=C1C	REAL300020189718	1	40	-1.0	-44.99	324.99	3.11	-41.88
O=C(CC1=CSC(C2=CC=CN=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189719	0	38	-1.0	-53.09	339.51	3.95	-49.14
O=C(CC1=CSC(C2=CC=CN=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189719	1	38	-1.0	-53.07	339.44	3.94	-49.13
O=C(CC1=CSC(C2=CC=CS2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189720	0	36	-1.0	-51.26	336.12	4.74	-46.52
O=C(CC1=CSC(C2=CC=CS2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189720	1	36	-1.0	-51.22	336.04	4.73	-46.49
CCC1=CC=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020189721	0	42	-1.0	-42.70	362.88	6.71	-35.99
CCC1=CC=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020189721	1	42	-1.0	-42.70	362.81	6.69	-36.01
O=C(CCN1C=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189722	0	39	-1.0	-45.14	329.48	6.34	-38.80
O=C(CCN1C=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189722	1	39	-1.0	-45.15	329.55	6.35	-38.80
O=C(CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189723	0	41	-1.0	-52.24	355.71	4.14	-48.10
O=C(CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189723	1	41	-1.0	-52.26	355.78	4.15	-48.11
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189724	0	42	-1.0	-41.62	362.18	5.12	-36.50
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189724	1	42	-1.0	-41.58	362.25	5.12	-36.46
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189725	0	43	-1.0	-42.62	366.54	6.23	-36.39
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189725	1	43	-1.0	-42.67	366.61	6.23	-36.44
O=C(CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189726	0	41	-1.0	-43.18	369.83	4.74	-38.44
O=C(CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189726	1	41	-1.0	-43.11	369.75	4.72	-38.39
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=NO1	REAL300020189727	0	39	-1.0	-43.21	332.99	6.00	-37.21
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=NO1	REAL300020189727	1	39	-1.0	-43.20	332.92	5.99	-37.21
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=C(F)C=CC=C2Cl)=NO1	REAL300020189728	0	39	-1.0	-44.64	355.28	6.31	-38.33
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=C(F)C=CC=C2Cl)=NO1	REAL300020189728	1	39	-1.0	-44.64	355.21	6.31	-38.33
O=C(C1CCCN(C2=CN=CC=N2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189729	0	43	-1.0	-41.35	341.89	2.59	-38.76
O=C(C1CCCN(C2=CN=CC=N2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189729	1	43	-1.0	-41.37	341.81	2.58	-38.79
O=C(CN1C=C(Br)C(=O)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189730	0	33	-1.0	-51.63	310.22	1.22	-50.41
O=C(CN1C=C(Br)C(=O)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189730	1	33	-1.0	-51.62	310.29	1.22	-50.40
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=C1C(=O)N(C)C=N2	REAL300020189731	0	38	-1.0	-50.61	322.23	4.25	-46.36
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=C1C(=O)N(C)C=N2	REAL300020189731	1	38	-1.0	-50.66	322.30	4.26	-46.40
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189732	0	41	-1.0	-45.96	353.66	1.55	-44.41
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189732	1	41	-1.0	-45.96	353.73	1.55	-44.41
CC1=NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1C1=CC=CC=C1	REAL300020189733	0	46	-1.0	-46.07	378.79	8.11	-37.96
CC1=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1C1=CC=CC=C1	REAL300020189733	1	46	-1.0	-46.16	378.87	8.11	-38.05
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189734	0	39	-1.0	-50.91	344.78	0.41	-50.50
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189734	1	39	-1.0	-50.92	344.85	0.42	-50.50
COC(=O)C1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)NC(C(C)=O)=C1C	REAL300020189735	0	45	-1.0	-54.96	383.08	4.32	-50.64
COC(=O)C1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)NC(C(C)=O)=C1C	REAL300020189735	1	45	-1.0	-54.95	383.15	4.32	-50.63
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189736	0	50	-1.0	-46.21	397.81	4.02	-42.19
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189736	1	50	-1.0	-46.17	397.88	4.04	-42.13
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020189737	0	44	-1.0	-44.00	368.39	7.65	-36.35
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020189737	1	44	-1.0	-43.97	368.47	7.66	-36.31
O=C(C1=CN(C2=CC=CC=C2)N=C1C1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189738	0	44	-1.0	-47.10	375.89	7.53	-39.57
O=C(C1=CN(C2=CC=CC=C2)N=C1C1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189738	1	44	-1.0	-47.05	375.82	7.53	-39.52
O=C(C1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189739	0	47	-1.0	-47.52	384.59	8.40	-39.12
O=C(C1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189739	1	47	-1.0	-47.48	384.51	8.38	-39.10
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189740	0	50	-1.0	-47.66	405.92	9.07	-38.59
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189740	1	50	-1.0	-47.66	405.84	9.06	-38.60
CC1=CC=CC=C1C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189741	0	50	-1.0	-48.09	405.81	9.01	-39.08
CC1=CC=CC=C1C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189741	1	50	-1.0	-48.16	405.89	9.01	-39.15
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020189742	0	47	-1.0	-51.49	391.36	8.40	-43.09
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020189742	1	47	-1.0	-51.53	391.28	8.40	-43.13
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189743	0	45	-1.0	-51.10	363.19	7.93	-43.17
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189743	1	45	-1.0	-51.11	363.27	7.94	-43.17
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189744	0	47	-1.0	-52.73	368.57	7.57	-45.16
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189744	1	47	-1.0	-52.73	368.65	7.59	-45.14
O=C(CN1C2=CC=CC=C2OCCC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189745	0	42	-1.0	-54.42	346.57	4.21	-50.21
O=C(CN1C2=CC=CC=C2OCCC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189745	1	42	-1.0	-54.46	346.64	4.22	-50.24
O=C(C1=CC(F)=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020189746	0	30	-1.0	-41.35	279.02	4.39	-36.96
O=C(C1=CC(F)=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020189746	1	30	-1.0	-41.38	279.10	4.40	-36.98
CC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020189747	0	44	-1.0	-43.15	360.71	6.60	-36.55
CC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020189747	1	44	-1.0	-43.14	360.78	6.60	-36.54
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC(N)=O	REAL300020189748	0	42	-1.0	-52.85	347.24	0.72	-52.13
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC(N)=O	REAL300020189748	1	42	-1.0	-52.89	347.31	0.74	-52.15
O=C(CN1C(=O)C=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189749	0	38	-1.0	-49.90	323.19	3.49	-46.41
O=C(CN1C(=O)C=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189749	1	38	-1.0	-49.90	323.11	3.48	-46.42
O=C(CN1C=NC2=C(C=CS2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189750	0	35	-1.0	-55.36	316.98	4.35	-51.01
O=C(CN1C=NC2=C(C=CS2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189750	1	35	-1.0	-55.39	316.90	4.35	-51.04
O=C(CCN1C=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189751	0	40	-1.0	-42.76	334.95	6.76	-36.00
O=C(CCN1C=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189751	1	40	-1.0	-42.74	335.02	6.78	-35.96
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189752	0	43	-1.0	-45.59	363.44	-0.16	-45.75
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189752	1	43	-1.0	-45.52	363.52	-0.16	-45.68
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189753	0	43	-1.0	-49.14	365.45	5.16	-43.98
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189753	1	43	-1.0	-49.18	365.52	5.17	-44.01
O=C(C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189754	0	50	-1.0	-49.24	410.23	8.85	-40.39
O=C(C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189754	1	50	-1.0	-49.26	410.15	8.84	-40.42
O=C(C1=CC2=C(CCCCCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189755	0	43	-1.0	-42.09	331.55	6.26	-35.83
O=C(C1=CC2=C(CCCCCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189755	1	43	-1.0	-42.12	331.63	6.27	-35.85
CCCC1=C(CC)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020189756	0	42	-1.0	-41.76	345.23	6.33	-35.43
CCCC1=C(CC)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020189756	1	42	-1.0	-41.76	345.30	6.34	-35.42
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C1	REAL300020189757	0	49	-1.0	-41.90	375.06	7.41	-34.49
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C1	REAL300020189757	1	49	-1.0	-41.91	375.13	7.42	-34.49
CC1CCC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C1	REAL300020189758	0	40	-1.0	-42.11	326.79	5.96	-36.15
CC1CCC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C1	REAL300020189758	1	40	-1.0	-42.11	326.86	5.98	-36.13
CCCC1=C(C)SC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189759	0	39	-1.0	-42.25	324.55	5.57	-36.68
CCCC1=C(C)SC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189759	1	39	-1.0	-42.28	324.62	5.58	-36.70
O=C(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189760	0	42	-1.0	-51.73	355.47	7.08	-44.65
O=C(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189760	1	42	-1.0	-51.78	355.55	7.08	-44.70
CC1=NN(C2=CC=C(F)C=C2)C2=C1C=C(C(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020189761	0	43	-1.0	-42.62	377.75	6.89	-35.73
CC1=NN(C2=CC=C(F)C=C2)C2=C1C=C(C(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020189761	1	43	-1.0	-42.66	377.83	6.90	-35.76
CC1=NN(CC2=CC=CC=C2)C2=C1C=C(C(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020189762	0	46	-1.0	-43.58	395.48	7.32	-36.26
CC1=NN(CC2=CC=CC=C2)C2=C1C=C(C(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020189762	1	46	-1.0	-43.59	395.55	7.32	-36.27
O=C(C1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189763	0	32	-1.0	-41.57	296.57	4.88	-36.69
O=C(C1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189763	1	32	-1.0	-41.54	296.64	4.89	-36.65
O=C(C1=CC(Cl)=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020189764	0	32	-1.0	-50.15	295.23	5.76	-44.39
O=C(C1=CC(Cl)=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020189764	1	32	-1.0	-50.23	295.30	5.76	-44.47
O=C(C1=C(Cl)C2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189765	0	33	-1.0	-43.34	301.88	5.65	-37.69
O=C(C1=C(Cl)C2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189765	1	33	-1.0	-43.36	301.95	5.66	-37.70
O=C(C1=C(Cl)C2=CC=C(Cl)C=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189766	0	33	-1.0	-40.74	318.60	6.14	-34.60
O=C(C1=C(Cl)C2=CC=C(Cl)C=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189766	1	33	-1.0	-40.73	318.67	6.16	-34.57
O=C(C1=C(Cl)C2=CC=C(F)C=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189767	0	33	-1.0	-40.87	308.27	5.71	-35.16
O=C(C1=C(Cl)C2=CC=C(F)C=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189767	1	33	-1.0	-40.89	308.35	5.72	-35.17
CCCCN1N=C(C)C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020189768	0	46	-1.0	-42.89	396.21	6.46	-36.43
CCCCN1N=C(C)C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020189768	1	46	-1.0	-42.88	396.29	6.47	-36.41
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189769	0	47	-1.0	-43.56	412.05	7.90	-35.66
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189769	1	47	-1.0	-43.53	412.12	7.91	-35.62
O=C(CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189770	0	46	-1.0	-56.81	389.09	6.83	-49.98
O=C(CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189770	1	46	-1.0	-56.81	389.16	6.83	-49.98
CC(=O)NC(=CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189771	0	41	-1.0	-51.10	335.05	4.77	-46.33
CC(=O)NC(=CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189771	1	41	-1.0	-51.09	335.13	4.79	-46.30
O=C(C1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189772	0	40	-1.0	-44.99	336.38	5.26	-39.73
O=C(C1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189772	1	40	-1.0	-45.04	336.31	5.26	-39.78
O=C(C1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189773	0	37	-1.0	-44.94	310.90	4.80	-40.14
O=C(C1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189773	1	37	-1.0	-44.91	310.83	4.79	-40.12
CC1=CC=C(OCC2=NC(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020189774	0	46	-1.0	-53.49	397.42	5.92	-47.57
CC1=CC=C(OCC2=NC(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020189774	1	46	-1.0	-53.48	397.49	5.93	-47.55
O=C(C1=CNC2=CC([N+](=O)[O-])=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020189775	0	36	-1.0	-50.04	310.61	4.31	-45.73
O=C(C1=CNC2=CC([N+](=O)[O-])=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020189775	1	36	-1.0	-50.04	310.68	4.31	-45.73
CC1=C(C)C2=C(N=CN(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=O)S1	REAL300020189776	0	41	-1.0	-55.42	354.77	5.74	-49.68
CC1=C(C)C2=C(N=CN(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=O)S1	REAL300020189776	1	41	-1.0	-55.43	354.84	5.75	-49.68
O=C(C1=CC=CC=C1SCC1=CC=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189777	0	41	-1.0	-49.02	353.85	6.69	-42.33
O=C(C1=CC=CC=C1SCC1=CC=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189777	1	41	-1.0	-49.02	353.93	6.70	-42.32
COC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020189778	0	40	-1.0	-45.72	330.31	4.81	-40.91
COC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020189778	1	40	-1.0	-45.74	330.38	4.82	-40.92
CSC1=CC=CC(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)=C1	REAL300020189779	0	45	-1.0	-48.25	370.70	5.85	-42.40
CSC1=CC=CC(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)=C1	REAL300020189779	1	45	-1.0	-48.27	370.77	5.86	-42.41
O=C(C1CC2=CC=CC=C2C(=O)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189780	0	37	-1.0	-51.09	309.95	5.59	-45.50
O=C(C1CC2=CC=CC=C2C(=O)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189780	1	37	-1.0	-51.08	310.02	5.61	-45.47
O=C(C1CC(=O)N(C2CCCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189781	0	44	-1.0	-45.10	341.19	4.29	-40.81
O=C(C1CC(=O)N(C2CCCC2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189781	1	44	-1.0	-45.10	341.26	4.30	-40.80
CCN(CC)S(=O)(=O)C1=CN(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189782	0	48	-1.0	-47.01	394.63	2.77	-44.24
CCN(CC)S(=O)(=O)C1=CN(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189782	1	48	-1.0	-47.02	394.71	2.78	-44.24
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189783	0	44	-1.0	-54.30	371.34	1.17	-53.13
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189783	1	44	-1.0	-54.31	371.42	1.18	-53.13
O=C(CCN1C=NC2=C(C3=C(CCCC3)S2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189784	0	48	-1.0	-49.33	398.77	7.46	-41.87
O=C(CCN1C=NC2=C(C3=C(CCCC3)S2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189784	1	48	-1.0	-49.35	398.84	7.46	-41.89
CS(=O)(=O)CC1=NC2=CC=CC=C2N1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189785	0	45	-1.0	-66.99	383.59	4.12	-62.87
CS(=O)(=O)CC1=NC2=CC=CC=C2N1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189785	1	45	-1.0	-66.95	383.67	4.14	-62.81
O=C(C1=CC=C2C(=O)N(C3CCCCC3)C(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189786	0	50	-1.0	-41.96	394.51	6.29	-35.67
O=C(C1=CC=C2C(=O)N(C3CCCCC3)C(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189786	1	50	-1.0	-41.95	394.59	6.29	-35.66
CC1=C(C)C=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=COC2=C1	REAL300020189787	0	42	-1.0	-48.25	347.63	6.36	-41.89
CC1=C(C)C=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=COC2=C1	REAL300020189787	1	42	-1.0	-48.24	347.70	6.36	-41.88
O=C(C1=CC2=C(S1)C1=CC=CC=C1CC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189788	0	41	-1.0	-43.14	344.21	7.50	-35.64
O=C(C1=CC2=C(S1)C1=CC=CC=C1CC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189788	1	41	-1.0	-43.11	344.28	7.52	-35.59
O=C(C1=CC2=C(S1)C1=CC=CC=C1OC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189789	0	39	-1.0	-43.66	335.56	5.66	-38.00
O=C(C1=CC2=C(S1)C1=CC=CC=C1OC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189789	1	39	-1.0	-43.72	335.63	5.67	-38.05
CSC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N1C1=CC=C(F)C=C1	REAL300020189790	0	41	-1.0	-43.13	359.91	6.51	-36.62
CSC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N1C1=CC=C(F)C=C1	REAL300020189790	1	41	-1.0	-43.14	359.84	6.51	-36.63
O=C(C1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189791	0	36	-1.0	-47.85	323.75	1.51	-46.34
O=C(C1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189791	1	36	-1.0	-47.85	323.83	1.53	-46.32
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)O1	REAL300020189792	0	39	-1.0	-41.87	331.17	3.95	-37.92
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CC=C2)O1	REAL300020189792	1	39	-1.0	-41.88	331.10	3.93	-37.95
O=C(CCCC1=NC2=CC=CC=C2C(=O)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189793	0	44	-1.0	-54.08	368.20	4.83	-49.25
O=C(CCCC1=NC2=CC=CC=C2C(=O)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189793	1	44	-1.0	-54.13	368.28	4.84	-49.29
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020189794	0	41	-1.0	-51.19	364.22	0.48	-50.71
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020189794	1	41	-1.0	-51.19	364.29	0.49	-50.70
CC1=NN(C)C(C)=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189795	0	42	-1.0	-45.63	342.99	4.30	-41.33
CC1=NN(C)C(C)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189795	1	42	-1.0	-45.64	343.07	4.31	-41.33
O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189796	0	45	-1.0	-49.50	361.03	2.80	-46.70
O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189796	1	45	-1.0	-49.55	361.11	2.81	-46.74
O=C(CN1C(=O)NC2(CCCC3=CC=CC=C32)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189797	0	49	-1.0	-52.64	396.88	4.80	-47.84
O=C(CN1C(=O)NC2(CCCC3=CC=CC=C32)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189797	1	49	-1.0	-52.65	396.95	4.80	-47.85
CC1(C2=CC=CC=C2)NC(=O)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020189798	0	45	-1.0	-51.51	375.85	3.75	-47.76
CC1(C2=CC=CC=C2)NC(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020189798	1	45	-1.0	-51.50	375.93	3.76	-47.74
CC1=CC=C(C2(C)NC(=O)N(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=O)C=C1	REAL300020189799	0	48	-1.0	-49.73	397.24	4.45	-45.28
CC1=CC=C(C2(C)NC(=O)N(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020189799	1	48	-1.0	-49.80	397.32	4.47	-45.33
CC1(C2CC2)NC(=O)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020189800	0	42	-1.0	-50.13	348.23	1.96	-48.17
CC1(C2CC2)NC(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020189800	1	42	-1.0	-50.13	348.30	1.96	-48.17
COC1=CC=C(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C(OC)=C1	REAL300020189801	0	49	-1.0	-56.98	397.07	3.82	-53.16
COC1=CC=C(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C(OC)=C1	REAL300020189801	1	49	-1.0	-56.97	397.14	3.82	-53.15
CC1CC1C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020189802	0	41	-1.0	-45.38	342.51	6.37	-39.01
CC1CC1C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020189802	1	41	-1.0	-45.41	342.59	6.39	-39.02
COC1=CC(C#N)=CC=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189803	0	39	-1.0	-51.92	339.68	4.84	-47.08
COC1=CC(C#N)=CC=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189803	1	39	-1.0	-51.95	339.76	4.85	-47.10
CC1=CC=CC2=C1N=CN(CC(=O)N1CCC(C3=NN=N[N-]3)C1)C2=O	REAL300020189804	0	41	-1.0	-53.52	346.60	6.09	-47.43
CC1=CC=CC2=C1N=CN(CC(=O)N1CCC(C3=N[N-]N=N3)C1)C2=O	REAL300020189804	1	41	-1.0	-53.53	346.53	6.07	-47.46
CCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020189805	0	40	-1.0	-50.73	326.72	6.25	-44.48
CCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020189805	1	40	-1.0	-50.75	326.80	6.26	-44.49
O=C(C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020189806	0	47	-1.0	-51.59	384.38	9.16	-42.43
O=C(C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020189806	1	47	-1.0	-51.62	384.46	9.17	-42.45
O=C(C1=C(N2C=CC=C2)SC2=C1CCSC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189807	0	43	-1.0	-44.07	371.50	8.16	-35.91
O=C(C1=C(N2C=CC=C2)SC2=C1CCSC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189807	1	43	-1.0	-44.11	371.57	8.18	-35.93
O=C(C1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189808	0	41	-1.0	-43.27	345.16	6.47	-36.80
O=C(C1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189808	1	41	-1.0	-43.27	345.23	6.49	-36.78
CC1=NC(COC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=CS1	REAL300020189809	0	43	-1.0	-44.74	366.35	4.65	-40.09
CC1=NC(COC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=CS1	REAL300020189809	1	43	-1.0	-44.79	366.43	4.67	-40.12
CN1C=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189810	0	47	-1.0	-48.04	385.76	0.64	-47.40
CN1C=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189810	1	47	-1.0	-48.02	385.83	0.65	-47.37
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189811	0	42	-1.0	-43.19	343.94	6.17	-37.02
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189811	1	42	-1.0	-43.23	343.86	6.16	-37.07
CC1=NC2=C3C=CC=CC3=NN2C(C)=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189812	0	50	-1.0	-49.28	405.15	7.60	-41.68
CC1=NC2=C3C=CC=CC3=NN2C(C)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189812	1	50	-1.0	-49.31	405.22	7.61	-41.70
CC1CC1C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020189813	0	43	-1.0	-43.30	354.97	6.77	-36.53
CC1CC1C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020189813	1	43	-1.0	-43.27	355.05	6.78	-36.49
O=C(CCN1N=NC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189814	0	40	-1.0	-48.33	343.63	2.92	-45.41
O=C(CCN1N=NC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189814	1	40	-1.0	-48.30	343.70	2.92	-45.38
O=C(CC1=COC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189815	0	39	-1.0	-53.43	336.66	3.38	-50.05
O=C(CC1=COC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189815	1	39	-1.0	-53.38	336.58	3.36	-50.02
O=C(C1=NOC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189816	0	36	-1.0	-40.84	311.84	5.21	-35.63
O=C(C1=NOC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189816	1	36	-1.0	-40.82	311.77	5.21	-35.61
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(F)C=C1	REAL300020189817	0	39	-1.0	-47.65	334.56	5.96	-41.69
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(F)C=C1	REAL300020189817	1	39	-1.0	-47.69	334.64	5.96	-41.73
O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020189818	0	38	-1.0	-77.98	331.59	1.46	-76.52
O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020189818	1	38	-1.0	-77.93	331.67	1.47	-76.46
CC1=NC(C2=CC=CS2)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189819	0	39	-1.0	-41.98	336.64	5.23	-36.75
CC1=NC(C2=CC=CS2)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189819	1	39	-1.0	-41.93	336.56	5.22	-36.71
CC(=O)N1CCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020189820	0	41	-1.0	-52.88	329.19	4.61	-48.27
CC(=O)N1CCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020189820	1	41	-1.0	-52.88	329.26	4.62	-48.26
O=C(C1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189821	0	42	-1.0	-54.65	346.39	2.06	-52.59
O=C(C1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189821	1	42	-1.0	-54.65	346.46	2.08	-52.57
O=C(CN1N=NC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189822	0	37	-1.0	-52.97	322.61	2.35	-50.62
O=C(CN1N=NC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189822	1	37	-1.0	-52.95	322.69	2.37	-50.58
CCOC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1OC	REAL300020189823	0	43	-1.0	-47.71	359.63	5.42	-42.29
CCOC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OC	REAL300020189823	1	43	-1.0	-47.67	359.70	5.42	-42.25
O=C(C1=NC=CN=C1C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189824	0	40	-1.0	-50.80	354.84	3.10	-47.70
O=C(C1=NC=CN=C1C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189824	1	40	-1.0	-50.80	354.91	3.10	-47.70
COC1=CC=C(C2=NC(C)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020189825	0	43	-1.0	-42.75	363.67	4.57	-38.18
COC1=CC=C(C2=NC(C)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020189825	1	43	-1.0	-42.76	363.60	4.56	-38.20
O=C(CCNC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020189826	0	43	-1.0	-43.62	377.39	5.59	-38.03
O=C(CCNC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020189826	1	43	-1.0	-43.60	377.46	5.60	-38.00
O=C(C1CCCN(S(=O)(=O)C2=CC=CS2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189827	0	45	-1.0	-45.52	385.90	2.81	-42.71
O=C(C1CCCN(S(=O)(=O)C2=CC=CS2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189827	1	45	-1.0	-45.55	385.98	2.82	-42.73
CSCC1=NC2=CC=CC=C2N1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189828	0	43	-1.0	-49.75	373.42	6.65	-43.10
CSCC1=NC2=CC=CC=C2N1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189828	1	43	-1.0	-49.76	373.49	6.65	-43.11
CN1C2=C(C(=O)N(C)C1=O)N(CCC(=O)N1CCC(C3=N[N-]N=N3)C1)C=N2	REAL300020189829	0	45	-1.0	-50.24	376.22	5.43	-44.81
CN1C2=C(C(=O)N(C)C1=O)N(CCC(=O)N1CCC(C3=NN=N[N-]3)C1)C=N2	REAL300020189829	1	45	-1.0	-50.23	376.29	5.43	-44.80
CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C3=N[N-]N=N3)C1)C2=O	REAL300020189830	0	48	-1.0	-49.39	381.97	3.39	-46.00
CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C3=NN=N[N-]3)C1)C2=O	REAL300020189830	1	48	-1.0	-49.48	382.04	3.40	-46.08
O=C(C1=CC2=C(Cl)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189831	0	33	-1.0	-43.39	305.11	5.62	-37.77
O=C(C1=CC2=C(Cl)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189831	1	33	-1.0	-43.44	305.19	5.62	-37.82
CCCN1C(=O)N(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020189832	0	49	-1.0	-49.22	404.66	7.65	-41.57
CCCN1C(=O)N(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020189832	1	49	-1.0	-49.27	404.73	7.66	-41.61
CC1=CC=C(C2=NN(CC(=O)N3CCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020189833	0	41	-1.0	-51.47	353.82	4.41	-47.06
CC1=CC=C(C2=NN(CC(=O)N3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020189833	1	41	-1.0	-51.48	353.90	4.43	-47.05
O=C(CCC1=NC(C2=CC=CS2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189834	0	38	-1.0	-44.69	344.01	3.23	-41.46
O=C(CCC1=NC(C2=CC=CS2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189834	1	38	-1.0	-44.70	343.94	3.21	-41.49
COC1=CC=C(Cl)C=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189835	0	37	-1.0	-44.95	325.75	4.63	-40.32
COC1=CC=C(Cl)C=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189835	1	37	-1.0	-44.95	325.82	4.65	-40.30
NC(=O)COC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189836	0	42	-1.0	-53.01	357.88	2.65	-50.36
NC(=O)COC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189836	1	42	-1.0	-52.99	357.96	2.66	-50.33
COCCN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300020189837	0	39	-1.0	-41.58	330.23	1.32	-40.26
COCCN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300020189837	1	39	-1.0	-41.61	330.30	1.34	-40.27
NC(=O)COC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189838	0	38	-1.0	-61.17	321.22	1.76	-59.41
NC(=O)COC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189838	1	38	-1.0	-61.17	321.29	1.76	-59.41
O=C(C1=CC=C(C2=CC=C(Cl)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189839	0	37	-1.0	-42.01	337.03	6.93	-35.08
O=C(C1=CC=C(C2=CC=C(Cl)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189839	1	37	-1.0	-42.04	337.10	6.93	-35.11
O=C(C1=CC=C(C2=CC=C3OCCOC3=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189840	0	43	-1.0	-45.35	364.77	5.57	-39.78
O=C(C1=CC=C(C2=CC=C3OCCOC3=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189840	1	43	-1.0	-45.33	364.84	5.57	-39.76
O=C(C1=CC2=C(F)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189841	0	33	-1.0	-44.19	295.61	5.21	-38.98
O=C(C1=CC2=C(F)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189841	1	33	-1.0	-44.22	295.69	5.22	-39.00
O=C(C1=CC=C(C2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189842	0	37	-1.0	-42.58	320.31	6.44	-36.14
O=C(C1=CC=C(C2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189842	1	37	-1.0	-42.57	320.38	6.44	-36.13
O=C(CC1=CSC(C2=CC=CC(F)=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189843	0	39	-1.0	-52.14	350.89	5.80	-46.34
O=C(CC1=CSC(C2=CC=CC(F)=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189843	1	39	-1.0	-52.16	350.82	5.78	-46.38
O=C(CC1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189844	0	39	-1.0	-49.03	361.21	6.25	-42.78
O=C(CC1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189844	1	39	-1.0	-48.97	361.14	6.24	-42.73
O=C(C1=NN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189845	0	36	-1.0	-41.74	312.10	3.84	-37.90
O=C(C1=NN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189845	1	36	-1.0	-41.71	312.02	3.83	-37.88
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=C1C(=O)CC(C)(C)C2	REAL300020189846	0	46	-1.0	-49.47	356.26	5.08	-44.39
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=C1C(=O)CC(C)(C)C2	REAL300020189846	1	46	-1.0	-49.47	356.33	5.09	-44.38
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N1	REAL300020189847	0	46	-1.0	-45.92	375.58	5.52	-40.40
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N1	REAL300020189847	1	46	-1.0	-45.97	375.65	5.54	-40.43
CCC1=C(C(=O)OC)C(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N1	REAL300020189848	0	43	-1.0	-45.27	355.14	4.62	-40.65
CCC1=C(C(=O)OC)C(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N1	REAL300020189848	1	43	-1.0	-45.26	355.21	4.65	-40.61
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=C1C(=O)CCC2	REAL300020189849	0	40	-1.0	-50.42	319.40	4.17	-46.25
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=C1C(=O)CCC2	REAL300020189849	1	40	-1.0	-50.42	319.48	4.17	-46.25
O=C(C1=CC2=CC(F)=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189850	0	33	-1.0	-41.29	295.63	5.22	-36.07
O=C(C1=CC2=CC(F)=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189850	1	33	-1.0	-41.27	295.70	5.23	-36.04
O=C(C1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189851	0	44	-1.0	-44.56	358.68	6.72	-37.84
O=C(C1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189851	1	44	-1.0	-44.58	358.76	6.72	-37.86
O=C(CC1=CSC(C2=CC=CC=N2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189852	0	38	-1.0	-56.93	339.81	3.85	-53.08
O=C(CC1=CSC(C2=CC=CC=N2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189852	1	38	-1.0	-56.95	339.88	3.87	-53.08
O=C(C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189853	0	45	-1.0	-52.57	375.34	5.91	-46.66
O=C(C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189853	1	45	-1.0	-52.58	375.27	5.89	-46.69
O=C(C1=CC=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189854	0	30	-1.0	-43.12	281.08	4.41	-38.71
O=C(C1=CC=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189854	1	30	-1.0	-43.12	281.15	4.41	-38.71
O=C(C1=CC=C2CC3=CC=CC=C3C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189855	0	41	-1.0	-47.85	334.09	7.67	-40.18
O=C(C1=CC=C2CC3=CC=CC=C3C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189855	1	41	-1.0	-47.84	334.16	7.68	-40.16
CCN1C(=O)C2=CC=CC=C2N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020189856	0	45	-1.0	-50.76	372.31	5.77	-44.99
CCN1C(=O)C2=CC=CC=C2N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020189856	1	45	-1.0	-50.80	372.39	5.79	-45.01
CC1=CC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1[N+](=O)[O-]	REAL300020189857	0	44	-1.0	-66.00	366.77	7.75	-58.25
CC1=CC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1[N+](=O)[O-]	REAL300020189857	1	44	-1.0	-65.97	366.84	7.76	-58.21
CC1=CC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1F	REAL300020189858	0	42	-1.0	-55.99	360.30	7.13	-48.86
CC1=CC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1F	REAL300020189858	1	42	-1.0	-55.99	360.37	7.14	-48.85
O=C(CC1=CSC(NC(=O)C2=CC=CS2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189859	0	40	-1.0	-50.97	368.40	4.04	-46.93
O=C(CC1=CSC(NC(=O)C2=CC=CS2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189859	1	40	-1.0	-51.00	368.32	4.04	-46.96
O=C(CC1=CSC(NC(=O)C2=CC=CO2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189860	0	40	-1.0	-52.24	360.51	3.05	-49.19
O=C(CC1=CSC(NC(=O)C2=CC=CO2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189860	1	40	-1.0	-52.24	360.44	3.03	-49.21
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020189861	0	32	-1.0	-46.87	297.39	-2.43	-49.30
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020189861	1	32	-1.0	-46.87	297.46	-2.42	-49.29
NC(=O)CSC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189862	0	38	-1.0	-56.92	329.16	1.61	-55.31
NC(=O)CSC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189862	1	38	-1.0	-56.90	329.24	1.62	-55.28
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC(N)=O	REAL300020189863	0	46	-1.0	-56.70	387.09	2.42	-54.28
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC(N)=O	REAL300020189863	1	46	-1.0	-56.72	387.17	2.43	-54.29
COC1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189864	0	46	-1.0	-51.35	393.57	-0.36	-51.71
COC1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189864	1	46	-1.0	-51.34	393.64	-0.34	-51.68
O=C(C1=CSC(C2=CC=C(F)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189865	0	36	-1.0	-42.68	326.40	5.33	-37.35
O=C(C1=CSC(C2=CC=C(F)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189865	1	36	-1.0	-42.67	326.32	5.32	-37.35
COC1=CC=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1OC	REAL300020189866	0	44	-1.0	-44.84	378.64	4.47	-40.37
COC1=CC=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1OC	REAL300020189866	1	44	-1.0	-44.83	378.57	4.46	-40.37
O=C(COC1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189867	0	45	-1.0	-60.29	367.46	5.81	-54.48
O=C(COC1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189867	1	45	-1.0	-60.30	367.53	5.81	-54.49
CC1=NC(COC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020189868	0	43	-1.0	-48.45	369.48	5.59	-42.86
CC1=NC(COC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020189868	1	43	-1.0	-48.45	369.55	5.61	-42.84
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189869	0	34	-1.0	-39.23	295.59	3.16	-36.07
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189869	1	34	-1.0	-39.27	295.66	3.17	-36.10
CCOC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189870	0	43	-1.0	-49.92	360.46	5.42	-44.50
CCOC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189870	1	43	-1.0	-49.93	360.53	5.44	-44.49
O=C(C1=CC=CC=C1C1=NC=C(C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189871	0	46	-1.0	-54.07	385.51	7.01	-47.06
O=C(C1=CC=CC=C1C1=NC=C(C2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189871	1	46	-1.0	-54.04	385.44	6.99	-47.05
O=C(C1=CC=CC=C1OCC1=CSC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189872	0	40	-1.0	-48.07	347.57	4.85	-43.22
O=C(C1=CC=CC=C1OCC1=CSC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189872	1	40	-1.0	-48.06	347.65	4.86	-43.20
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=C(N=CN(C)C2=O)O1	REAL300020189873	0	38	-1.0	-56.69	329.49	2.40	-54.29
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=C(N=CN(C)C2=O)O1	REAL300020189873	1	38	-1.0	-56.66	329.41	2.39	-54.27
CC(C)NC(=O)NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189874	0	45	-1.0	-44.84	363.53	3.18	-41.66
CC(C)NC(=O)NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189874	1	45	-1.0	-44.81	363.60	3.18	-41.63
O=C(C1=CC(Br)=CN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189875	0	28	-1.0	-43.48	259.44	2.59	-40.89
O=C(C1=CC(Br)=CN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189875	1	28	-1.0	-43.51	259.52	2.59	-40.92
COC1=CC=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020189876	0	40	-1.0	-43.26	349.43	4.57	-38.69
COC1=CC=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020189876	1	40	-1.0	-43.27	349.35	4.56	-38.71
O=C(C1=CN=C2SC=CN2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189877	0	32	-1.0	-55.98	295.87	2.93	-53.05
O=C(C1=CN=C2SC=CN2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189877	1	32	-1.0	-55.98	295.80	2.93	-53.05
O=C(C1=CN=C2SCCN2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189878	0	34	-1.0	-54.52	305.30	2.66	-51.86
O=C(C1=CN=C2SCCN2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189878	1	34	-1.0	-54.52	305.23	2.64	-51.88
O=C(C1=CC2=CC(Cl)=CC=C2OC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189879	0	36	-1.0	-40.79	322.77	4.91	-35.88
O=C(C1=CC2=CC(Cl)=CC=C2OC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189879	1	36	-1.0	-40.81	322.84	4.93	-35.88
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1CC1=CC=CC=C1	REAL300020189880	0	47	-1.0	-46.76	373.69	8.07	-38.69
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1CC1=CC=CC=C1	REAL300020189880	1	47	-1.0	-46.76	373.76	8.09	-38.67
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(N)(=O)=O	REAL300020189881	0	38	-1.0	-53.44	319.63	-0.73	-54.17
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(N)(=O)=O	REAL300020189881	1	38	-1.0	-53.41	319.70	-0.72	-54.13
CC1=NC(CSCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020189882	0	36	-1.0	-48.04	331.73	3.83	-44.21
CC1=NC(CSCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020189882	1	36	-1.0	-48.07	331.81	3.84	-44.23
O=C(CCSC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189883	0	37	-1.0	-43.52	326.68	6.08	-37.44
O=C(CCSC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189883	1	37	-1.0	-43.51	326.75	6.08	-37.43
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189884	0	37	-1.0	-43.70	314.13	3.44	-40.26
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189884	1	37	-1.0	-43.71	314.20	3.45	-40.26
C#CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189885	0	40	-1.0	-47.63	353.45	1.05	-46.58
C#CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189885	1	40	-1.0	-47.60	353.53	1.07	-46.53
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OCC(N)=O	REAL300020189886	0	46	-1.0	-50.74	380.27	0.54	-50.20
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OCC(N)=O	REAL300020189886	1	46	-1.0	-50.69	380.34	0.54	-50.15
O=C(CN1C2=CC=CC=C2N=C1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189887	0	49	-1.0	-50.70	405.39	9.03	-41.67
O=C(CN1C2=CC=CC=C2N=C1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189887	1	49	-1.0	-50.64	405.46	9.05	-41.59
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189888	0	34	-1.0	-42.00	323.34	6.27	-35.73
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189888	1	34	-1.0	-42.04	323.42	6.28	-35.76
COC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020189889	0	40	-1.0	-45.72	337.85	4.96	-40.76
COC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020189889	1	40	-1.0	-45.73	337.92	4.96	-40.77
O=C(CSC1=NC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189890	0	36	-1.0	-47.19	324.81	2.22	-44.97
O=C(CSC1=NC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189890	1	36	-1.0	-47.18	324.73	2.21	-44.97
O=C(CSC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189891	0	34	-1.0	-46.60	314.27	5.71	-40.89
O=C(CSC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189891	1	34	-1.0	-46.62	314.34	5.71	-40.91
CCOC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC	REAL300020189892	0	45	-1.0	-46.67	370.37	5.38	-41.29
CCOC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC	REAL300020189892	1	45	-1.0	-46.65	370.44	5.39	-41.26
O=C(C1=C(CS(=O)(=O)C2=CC=CC=C2)C=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189893	0	43	-1.0	-52.11	375.20	3.57	-48.54
O=C(C1=C(CS(=O)(=O)C2=CC=CC=C2)C=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189893	1	43	-1.0	-52.09	375.27	3.58	-48.51
O=C(C1=CC=CC=C1OCC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189894	0	44	-1.0	-46.86	377.58	8.32	-38.54
O=C(C1=CC=CC=C1OCC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189894	1	44	-1.0	-46.91	377.65	8.33	-38.58
COC1=CC=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189895	0	40	-1.0	-44.40	331.63	4.88	-39.52
COC1=CC=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189895	1	40	-1.0	-44.39	331.70	4.89	-39.50
O=C(COC1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189896	0	34	-1.0	-46.56	322.41	5.75	-40.81
O=C(COC1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189896	1	34	-1.0	-46.56	322.49	5.75	-40.81
O=C(C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189897	0	30	-1.0	-42.25	281.93	4.54	-37.71
O=C(C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189897	1	30	-1.0	-42.23	282.00	4.54	-37.69
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020189898	0	42	-1.0	-43.79	341.69	2.70	-41.09
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020189898	1	42	-1.0	-43.82	341.76	2.70	-41.12
O=C(C1=CC(=O)C2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189899	0	35	-1.0	-43.21	302.49	4.26	-38.95
O=C(C1=CC(=O)C2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189899	1	35	-1.0	-43.23	302.57	4.27	-38.96
COC1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189900	0	40	-1.0	-47.52	328.78	6.13	-41.39
COC1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189900	1	40	-1.0	-47.54	328.86	6.14	-41.40
O=C(COC1=CC=CC=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189901	0	44	-1.0	-49.00	368.39	8.38	-40.62
O=C(COC1=CC=CC=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189901	1	44	-1.0	-48.99	368.46	8.39	-40.60
CC(C)C1=CC=C(N2C=CN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189902	0	50	-1.0	-44.70	421.38	9.10	-35.60
CC(C)C1=CC=C(N2C=CN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189902	1	50	-1.0	-44.67	421.31	9.10	-35.57
O=C(C1=C(S(=O)(=O)N2CCOCC2)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189903	0	43	-1.0	-56.25	361.27	1.29	-54.96
O=C(C1=C(S(=O)(=O)N2CCOCC2)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189903	1	43	-1.0	-56.22	361.35	1.29	-54.93
COC1=CC2=NC(C)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020189904	0	42	-1.0	-44.50	342.74	3.99	-40.51
COC1=CC2=NC(C)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020189904	1	42	-1.0	-44.52	342.81	3.99	-40.53
COC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020189905	0	45	-1.0	-49.90	372.64	3.88	-46.02
COC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020189905	1	45	-1.0	-49.94	372.71	3.89	-46.05
CC1=CC=C(C)C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189906	0	40	-1.0	-46.58	331.12	6.06	-40.52
CC1=CC=C(C)C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189906	1	40	-1.0	-46.55	331.19	6.07	-40.48
CC(C)COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189907	0	43	-1.0	-43.60	342.90	5.28	-38.32
CC(C)COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189907	1	43	-1.0	-43.62	342.98	5.29	-38.33
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1CC(F)(F)F	REAL300020189908	0	40	-1.0	-46.76	330.99	5.43	-41.33
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1CC(F)(F)F	REAL300020189908	1	40	-1.0	-46.77	331.06	5.44	-41.33
O=C(CN1N=C(C2=CC=CS2)OC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189909	0	36	-1.0	-51.93	335.26	1.64	-50.29
O=C(CN1N=C(C2=CC=CS2)OC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189909	1	36	-1.0	-51.93	335.18	1.62	-50.31
O=C(C1=CC=CC(OCC2=CN3C=CC=CC3=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189910	0	47	-1.0	-48.94	387.19	7.37	-41.57
O=C(C1=CC=CC(OCC2=CN3C=CC=CC3=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189910	1	47	-1.0	-48.89	387.26	7.38	-41.51
O=C(C1=CC2=C(N=C(NC3=CC=CC=C3)S2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189911	0	41	-1.0	-43.52	367.07	6.45	-37.07
O=C(C1=CC2=C(N=C(NC3=CC=CC=C3)S2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189911	1	41	-1.0	-43.58	367.00	6.45	-37.13
O=C(CNC(=O)C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189912	0	37	-1.0	-41.97	321.47	2.61	-39.36
O=C(CNC(=O)C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189912	1	37	-1.0	-41.97	321.55	2.62	-39.35
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189913	0	43	-1.0	-43.03	346.97	2.67	-40.36
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189913	1	43	-1.0	-43.04	347.05	2.68	-40.36
O=C(CC1=CC=C(S(=O)(=O)N2CCCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189914	0	45	-1.0	-51.94	395.07	3.09	-48.85
O=C(CC1=CC=C(S(=O)(=O)N2CCCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189914	1	45	-1.0	-51.91	395.14	3.09	-48.82
N#CC1=CC=C(CSC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189915	0	45	-1.0	-49.15	393.90	8.97	-40.18
N#CC1=CC=C(CSC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189915	1	45	-1.0	-49.13	393.98	8.98	-40.15
CC(C)(C)C1=CC=C(C(=O)NCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189916	0	52	-1.0	-52.55	413.32	5.53	-47.02
CC(C)(C)C1=CC=C(C(=O)NCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189916	1	52	-1.0	-52.59	413.40	5.54	-47.05
COC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189917	0	40	-1.0	-43.81	331.63	4.87	-38.94
COC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189917	1	40	-1.0	-43.79	331.71	4.88	-38.91
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189918	0	36	-1.0	-50.61	310.56	1.11	-49.50
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189918	1	36	-1.0	-50.65	310.64	1.12	-49.53
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189919	0	43	-1.0	-44.50	362.38	7.45	-37.05
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189919	1	43	-1.0	-44.49	362.45	7.46	-37.03
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020189920	0	35	-1.0	-42.05	294.23	4.75	-37.30
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020189920	1	35	-1.0	-42.06	294.30	4.76	-37.30
CN(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189921	0	41	-1.0	-45.95	364.70	2.18	-43.77
CN(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189921	1	41	-1.0	-45.99	364.77	2.18	-43.81
O=C(C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189922	0	33	-1.0	-41.77	288.74	4.56	-37.21
O=C(C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189922	1	33	-1.0	-41.80	288.81	4.57	-37.23
CC1=CSC(SCC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020189923	0	43	-1.0	-47.52	379.59	6.12	-41.40
CC1=CSC(SCC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020189923	1	43	-1.0	-47.53	379.66	6.14	-41.39
CC1=CC=C(C(C)C)C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189924	0	46	-1.0	-46.73	369.66	7.32	-39.41
CC1=CC=C(C(C)C)C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189924	1	46	-1.0	-46.77	369.73	7.33	-39.44
O=C(CCOC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189925	0	37	-1.0	-43.70	316.81	4.48	-39.22
O=C(CCOC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189925	1	37	-1.0	-43.71	316.89	4.48	-39.23
O=C(CCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189926	0	36	-1.0	-42.24	318.86	6.09	-36.15
O=C(CCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189926	1	36	-1.0	-42.24	318.93	6.11	-36.13
O=C(CC1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189927	0	39	-1.0	-48.16	341.20	4.45	-43.71
O=C(CC1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189927	1	39	-1.0	-48.15	341.28	4.47	-43.68
COC1=CC=CC=C1OCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189928	0	41	-1.0	-45.05	339.83	4.31	-40.74
COC1=CC=CC=C1OCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189928	1	41	-1.0	-45.08	339.91	4.31	-40.77
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1CCCCC1	REAL300020189929	0	50	-1.0	-44.87	368.50	7.31	-37.56
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1CCCCC1	REAL300020189929	1	50	-1.0	-44.96	368.58	7.31	-37.65
CNS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189930	0	42	-1.0	-49.40	366.44	1.40	-48.00
CNS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189930	1	42	-1.0	-49.42	366.51	1.41	-48.01
CCOC(=O)C1=C(C)N(CC)C(C)=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189931	0	53	-1.0	-48.68	438.11	8.42	-40.26
CCOC(=O)C1=C(C)N(CC)C(C)=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189931	1	53	-1.0	-48.70	438.18	8.43	-40.27
COC(=O)C1=C(C)NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020189932	0	40	-1.0	-45.95	333.48	3.88	-42.07
COC(=O)C1=C(C)NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020189932	1	40	-1.0	-45.94	333.55	3.90	-42.04
O=C(C1=CSC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189933	0	37	-1.0	-43.72	301.10	5.23	-38.49
O=C(C1=CSC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189933	1	37	-1.0	-43.70	301.17	5.24	-38.46
CC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300020189934	0	43	-1.0	-53.55	329.27	3.78	-49.77
CC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020189934	1	43	-1.0	-53.60	329.35	3.79	-49.81
O=C(C1=CN(CC2=CC=CC=C2Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189935	0	40	-1.0	-45.67	348.93	5.72	-39.95
O=C(C1=CN(CC2=CC=CC=C2Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189935	1	40	-1.0	-45.64	348.86	5.71	-39.93
NC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189936	0	46	-1.0	-55.87	367.16	1.41	-54.46
NC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189936	1	46	-1.0	-55.89	367.23	1.41	-54.48
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189937	0	47	-1.0	-55.41	382.66	2.38	-53.03
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189937	1	47	-1.0	-55.40	382.73	2.38	-53.02
CC1OC2=CC=CC=C2N(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020189938	0	45	-1.0	-46.90	367.49	4.61	-42.29
CC1OC2=CC=CC=C2N(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020189938	1	45	-1.0	-46.87	367.56	4.62	-42.25
O=C(C1=CC=C(C#CC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189939	0	42	-1.0	-44.47	358.82	8.72	-35.75
O=C(C1=CC=C(C#CC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189939	1	42	-1.0	-44.42	358.89	8.74	-35.68
COCC1=NC(OC)=C2C(C)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020189940	0	45	-1.0	-42.61	378.60	1.30	-41.31
COCC1=NC(OC)=C2C(C)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020189940	1	45	-1.0	-42.62	378.68	1.32	-41.30
CS(=O)(=O)N1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189941	0	41	-1.0	-46.85	325.07	1.45	-45.40
CS(=O)(=O)N1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189941	1	41	-1.0	-46.83	325.15	1.47	-45.36
CS(=O)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189942	0	38	-1.0	-62.56	325.69	2.80	-59.76
CS(=O)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189942	1	38	-1.0	-62.56	325.77	2.80	-59.76
CC1=CC=C(NC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189943	0	45	-1.0	-45.98	367.34	6.91	-39.07
CC1=CC=C(NC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189943	1	45	-1.0	-45.95	367.41	6.92	-39.03
C=CCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020189944	0	45	-1.0	-43.61	364.49	4.81	-38.80
C=CCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020189944	1	45	-1.0	-43.62	364.56	4.81	-38.81
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189945	0	42	-1.0	-46.28	352.86	3.13	-43.15
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189945	1	42	-1.0	-46.31	352.94	3.13	-43.18
CCN1C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN=C1C1=CC=CC(C)=C1	REAL300020189946	0	49	-1.0	-46.84	413.22	8.45	-38.39
CCN1C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=CC(C)=C1	REAL300020189946	1	49	-1.0	-46.81	413.30	8.47	-38.34
COC1=CC=C(C)C=C1N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020189947	0	48	-1.0	-48.56	390.27	5.20	-43.36
COC1=CC=C(C)C=C1N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020189947	1	48	-1.0	-48.55	390.35	5.20	-43.35
O=C(C1=CSC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189948	0	36	-1.0	-43.03	320.03	5.27	-37.76
O=C(C1=CSC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189948	1	36	-1.0	-42.99	319.96	5.26	-37.73
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300020189949	0	39	-1.0	-41.18	350.99	5.80	-35.38
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300020189949	1	39	-1.0	-41.15	350.92	5.78	-35.37
O=C(CC1=CSC(C2=CSC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189950	0	36	-1.0	-49.82	335.50	4.66	-45.16
O=C(CC1=CSC(C2=CSC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189950	1	36	-1.0	-49.81	335.43	4.65	-45.16
CN1C=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189951	0	31	-1.0	-41.31	276.68	3.76	-37.55
CN1C=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189951	1	31	-1.0	-41.32	276.76	3.77	-37.55
O=C(C1CC(=O)N(C2=CC=CC3=CC=CC=C32)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189952	0	47	-1.0	-57.36	385.53	7.84	-49.52
O=C(C1CC(=O)N(C2=CC=CC3=CC=CC=C32)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189952	1	47	-1.0	-57.40	385.60	7.85	-49.55
O=C(NC1=CC=CC=C1)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189953	0	46	-1.0	-49.39	376.47	4.81	-44.58
O=C(NC1=CC=CC=C1)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189953	1	46	-1.0	-49.42	376.54	4.82	-44.60
O=C(NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1)C1=CC=CC=C1	REAL300020189954	0	47	-1.0	-43.91	390.78	6.26	-37.65
O=C(NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1)C1=CC=CC=C1	REAL300020189954	1	47	-1.0	-43.91	390.86	6.26	-37.65
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=C1OC(C)C2	REAL300020189955	0	42	-1.0	-45.68	336.53	3.44	-42.24
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=C1OC(C)C2	REAL300020189955	1	42	-1.0	-45.67	336.61	3.46	-42.21
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020189956	0	53	-1.0	-46.96	389.25	5.03	-41.93
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020189956	1	53	-1.0	-46.94	389.32	5.04	-41.90
CC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020189957	0	40	-1.0	-46.58	331.13	6.06	-40.52
CC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020189957	1	40	-1.0	-46.59	331.20	6.07	-40.52
CC(C)(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C(C)(C)C)=C1O	REAL300020189958	0	55	-1.0	-43.28	399.88	6.26	-37.02
CC(C)(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C(C)(C)C)=C1O	REAL300020189958	1	55	-1.0	-43.27	399.95	6.27	-37.00
CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189959	0	41	-1.0	-47.47	356.07	1.74	-45.73
CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189959	1	41	-1.0	-47.51	356.15	1.75	-45.76
CCOC1=CC=CC=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189960	0	41	-1.0	-47.36	340.10	5.54	-41.82
CCOC1=CC=CC=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189960	1	41	-1.0	-47.31	340.17	5.54	-41.77
CC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020189961	0	37	-1.0	-44.07	325.31	6.35	-37.72
CC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020189961	1	37	-1.0	-44.08	325.38	6.35	-37.73
CC1=CC=CC(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189962	0	40	-1.0	-43.16	332.01	5.07	-38.09
CC1=CC=CC(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189962	1	40	-1.0	-43.14	332.09	5.08	-38.06
O=C(CNC(=O)C1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189963	0	37	-1.0	-42.63	336.37	3.17	-39.46
O=C(CNC(=O)C1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189963	1	37	-1.0	-42.62	336.44	3.17	-39.45
COC1=CC=C(SCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189964	0	41	-1.0	-43.42	350.40	5.32	-38.10
COC1=CC=C(SCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189964	1	41	-1.0	-43.43	350.47	5.34	-38.09
O=C(C1=CC=C2CCC3=C2C1=CC=C3)N1CCC(C2=N[N-]N=N2)C1	REAL300020189965	0	40	-1.0	-46.78	321.93	7.08	-39.70
O=C(C1=CC=C2CCC3=C2C1=CC=C3)N1CCC(C2=NN=N[N-]2)C1	REAL300020189965	1	40	-1.0	-46.78	322.01	7.10	-39.68
O=C(C1=CC=C(F)C=C1)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020189966	0	47	-1.0	-45.72	378.88	5.77	-39.95
O=C(C1=CC=C(F)C=C1)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020189966	1	47	-1.0	-45.71	378.95	5.78	-39.93
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(CC2=CC=C(F)C=C2)=N1	REAL300020189967	0	42	-1.0	-43.31	364.23	6.09	-37.22
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(CC2=CC=C(F)C=C2)=N1	REAL300020189967	1	42	-1.0	-43.33	364.30	6.09	-37.24
O=C(C=CC1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189968	0	34	-1.0	-43.61	320.87	6.19	-37.42
O=C(C=CC1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189968	1	34	-1.0	-43.61	320.94	6.19	-37.42
O=C(CC1=CC(F)=CC2=C1OCOC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189969	0	39	-1.0	-47.96	330.44	3.96	-44.00
O=C(CC1=CC(F)=CC2=C1OCOC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189969	1	39	-1.0	-47.99	330.52	3.97	-44.02
O=C(CCN1C=NC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189970	0	41	-1.0	-48.83	347.48	5.74	-43.09
O=C(CCN1C=NC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189970	1	41	-1.0	-48.83	347.40	5.72	-43.11
COC1=CC=C2C(=C1)OC(=O)C(CCC(=O)N1CCC(C3=N[N-]N=N3)C1)=C2C	REAL300020189971	0	48	-1.0	-52.58	391.97	6.75	-45.83
COC1=CC=C2C(=C1)OC(=O)C(CCC(=O)N1CCC(C3=NN=N[N-]3)C1)=C2C	REAL300020189971	1	48	-1.0	-52.58	392.04	6.76	-45.82
CC1=CC=CC2=C1N=CN(CCC(=O)N1CCC(C3=NN=N[N-]3)C1)C2=O	REAL300020189972	0	44	-1.0	-49.97	367.66	6.57	-43.40
CC1=CC=CC2=C1N=CN(CCC(=O)N1CCC(C3=N[N-]N=N3)C1)C2=O	REAL300020189972	1	44	-1.0	-49.93	367.58	6.56	-43.37
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C2C=NN(C(C)C)C2=N1	REAL300020189973	0	44	-1.0	-43.34	359.33	5.00	-38.34
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C2C=NN(C(C)C)C2=N1	REAL300020189973	1	44	-1.0	-43.35	359.41	5.01	-38.34
O=C(C1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189974	0	38	-1.0	-46.29	309.78	2.75	-43.54
O=C(C1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189974	1	38	-1.0	-46.30	309.86	2.75	-43.55
COC1=CC=C(N2C(C)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C)C=C1	REAL300020189975	0	48	-1.0	-45.58	385.83	6.95	-38.63
COC1=CC=C(N2C(C)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C)C=C1	REAL300020189975	1	48	-1.0	-45.57	385.91	6.95	-38.62
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189976	0	36	-1.0	-49.07	311.52	-1.98	-51.05
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189976	1	36	-1.0	-49.08	311.60	-1.97	-51.05
CSC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189977	0	36	-1.0	-52.65	318.67	6.26	-46.39
CSC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189977	1	36	-1.0	-52.62	318.75	6.27	-46.35
O=C(CC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189978	0	36	-1.0	-44.46	319.48	5.77	-38.69
O=C(CC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189978	1	36	-1.0	-44.47	319.56	5.78	-38.69
O=C(C1=C(S(=O)(=O)N2CCCCC2)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189979	0	45	-1.0	-56.04	369.37	3.72	-52.32
O=C(C1=C(S(=O)(=O)N2CCCCC2)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189979	1	45	-1.0	-56.03	369.45	3.72	-52.31
COC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020189980	0	38	-1.0	-45.82	335.31	5.11	-40.71
COC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020189980	1	38	-1.0	-45.80	335.39	5.12	-40.68
O=C(C1=C2CCCCCN2C(C2=CC=C(F)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189981	0	50	-1.0	-45.83	391.95	8.39	-37.44
O=C(C1=C2CCCCCN2C(C2=CC=C(F)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189981	1	50	-1.0	-45.77	391.88	8.39	-37.38
O=C(NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C1=CC=CN=C1	REAL300020189982	0	43	-1.0	-47.54	356.89	3.84	-43.70
O=C(NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)C1=CC=CN=C1	REAL300020189982	1	43	-1.0	-47.57	356.82	3.82	-43.75
CC(C)(C)C(=O)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189983	0	46	-1.0	-56.42	346.34	4.85	-51.57
CC(C)(C)C(=O)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189983	1	46	-1.0	-56.43	346.42	4.87	-51.56
O=C(C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189984	0	47	-1.0	-46.72	393.83	6.81	-39.91
O=C(C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189984	1	47	-1.0	-46.68	393.90	6.83	-39.85
CN1C=C(S(=O)(=O)N2CCCCC2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189985	0	49	-1.0	-47.11	394.06	3.08	-44.03
CN1C=C(S(=O)(=O)N2CCCCC2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189985	1	49	-1.0	-47.13	394.13	3.09	-44.04
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300020189986	0	40	-1.0	-50.04	347.53	4.77	-45.27
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300020189986	1	40	-1.0	-50.05	347.60	4.77	-45.28
CC1=CC=CC=C1N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020189987	0	43	-1.0	-45.69	360.87	6.47	-39.22
CC1=CC=CC=C1N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020189987	1	43	-1.0	-45.68	360.79	6.46	-39.22
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189988	0	39	-1.0	-40.73	338.93	4.83	-35.90
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189988	1	39	-1.0	-40.75	339.00	4.83	-35.92
COC1=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(C)N=C2C=C1	REAL300020189989	0	42	-1.0	-43.12	343.00	3.95	-39.17
COC1=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(C)N=C2C=C1	REAL300020189989	1	42	-1.0	-43.13	343.08	3.96	-39.17
O=C(COC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020189990	0	51	-1.0	-55.04	405.78	6.65	-48.39
O=C(COC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020189990	1	51	-1.0	-55.00	405.86	6.67	-48.33
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020189991	0	38	-1.0	-44.37	335.30	0.11	-44.26
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020189991	1	38	-1.0	-44.36	335.37	0.11	-44.25
CC1CN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)CC(C)O1	REAL300020189992	0	48	-1.0	-44.86	373.94	3.28	-41.58
CC1CN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)CC(C)O1	REAL300020189992	1	48	-1.0	-44.85	373.86	3.28	-41.57
O=C(CN1C=C(Br)C=CC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189993	0	33	-1.0	-50.96	306.18	3.95	-47.01
O=C(CN1C=C(Br)C=CC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189993	1	33	-1.0	-51.02	306.26	3.95	-47.07
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189994	0	38	-1.0	-48.11	342.14	-0.13	-48.24
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189994	1	38	-1.0	-48.12	342.21	-0.12	-48.24
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189995	0	40	-1.0	-48.37	348.36	2.34	-46.03
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189995	1	40	-1.0	-48.40	348.43	2.34	-46.06
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189996	0	37	-1.0	-41.54	328.90	4.60	-36.94
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189996	1	37	-1.0	-41.56	328.97	4.61	-36.95
O=C(CCC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189997	0	36	-1.0	-42.79	318.85	6.09	-36.70
O=C(CCC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189997	1	36	-1.0	-42.78	318.92	6.10	-36.68
O=C(C1=CC=C(OCC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189998	0	37	-1.0	-46.07	320.87	4.25	-41.82
O=C(C1=CC=C(OCC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189998	1	37	-1.0	-46.07	320.95	4.27	-41.80
CCOC1=CC=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020189999	0	43	-1.0	-43.03	371.28	5.50	-37.53
CCOC1=CC=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020189999	1	43	-1.0	-43.02	371.21	5.48	-37.54
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190000	0	42	-1.0	-43.63	361.72	1.26	-42.37
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190000	1	42	-1.0	-43.66	361.79	1.27	-42.39
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190001	0	45	-1.0	-48.79	378.77	5.81	-42.98
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190001	1	45	-1.0	-48.82	378.85	5.83	-42.99
COC1=CC=C(C(=O)NCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190002	0	47	-1.0	-48.29	388.10	3.34	-44.95
COC1=CC=C(C(=O)NCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190002	1	47	-1.0	-48.33	388.18	3.34	-44.99
O=C(CCOC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190003	0	37	-1.0	-41.95	331.89	5.02	-36.93
O=C(CCOC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190003	1	37	-1.0	-41.95	331.97	5.03	-36.92
COC1=CC=C2OCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=C1	REAL300020190004	0	42	-1.0	-42.70	340.68	3.75	-38.95
COC1=CC=C2OCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=C1	REAL300020190004	1	42	-1.0	-42.71	340.75	3.76	-38.95
O=C(CNS(=O)(=O)C1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190005	0	35	-1.0	-47.43	326.76	-0.56	-47.99
O=C(CNS(=O)(=O)C1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190005	1	35	-1.0	-47.49	326.83	-0.55	-48.04
CCOC1=CC=CC=C1C(=O)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190006	0	51	-1.0	-58.61	401.50	6.71	-51.90
CCOC1=CC=CC=C1C(=O)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190006	1	51	-1.0	-58.60	401.57	6.71	-51.89
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=C1OCCO2	REAL300020190007	0	44	-1.0	-47.76	363.51	4.26	-43.50
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCCO2	REAL300020190007	1	44	-1.0	-47.78	363.59	4.28	-43.50
O=C(CN1C2=CC=CC=C2N=C1SC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190008	0	40	-1.0	-52.71	362.32	6.56	-46.15
O=C(CN1C2=CC=CC=C2N=C1SC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190008	1	40	-1.0	-52.69	362.25	6.55	-46.14
CC1=CC(C)=NC2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NN21	REAL300020190009	0	37	-1.0	-51.33	317.04	5.73	-45.60
CC1=CC(C)=NC2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NN21	REAL300020190009	1	37	-1.0	-51.35	317.11	5.74	-45.61
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020190010	0	40	-1.0	-44.70	327.43	5.25	-39.45
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020190010	1	40	-1.0	-44.74	327.51	5.26	-39.48
O=C(C1=CN(C2=CC=CC=C2Br)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190011	0	36	-1.0	-44.98	326.05	4.56	-40.42
O=C(C1=CN(C2=CC=CC=C2Br)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190011	1	36	-1.0	-44.97	325.98	4.56	-40.41
CCOC1=C(Br)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020190012	0	41	-1.0	-42.46	354.84	4.48	-37.98
CCOC1=C(Br)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020190012	1	41	-1.0	-42.50	354.91	4.49	-38.01
O=C(CSC1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190013	0	40	-1.0	-47.64	343.75	4.39	-43.25
O=C(CSC1=CC=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190013	1	40	-1.0	-47.67	343.82	4.40	-43.27
COC1=CC=C(Br)C=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190014	0	38	-1.0	-45.44	339.52	5.21	-40.23
COC1=CC=C(Br)C=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190014	1	38	-1.0	-45.43	339.59	5.23	-40.20
CC1=C(C)C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020190015	0	40	-1.0	-45.47	322.59	4.76	-40.71
CC1=C(C)C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020190015	1	40	-1.0	-45.50	322.67	4.77	-40.73
O=C(C1=C(Cl)C2=CC3=C(C=C2S1)OCCO3)N1CCC(C2=N[N-]N=N2)C1	REAL300020190016	0	39	-1.0	-43.95	346.34	4.76	-39.19
O=C(C1=C(Cl)C2=CC3=C(C=C2S1)OCCO3)N1CCC(C2=NN=N[N-]2)C1	REAL300020190016	1	39	-1.0	-43.92	346.41	4.78	-39.14
O=C(C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190017	0	43	-1.0	-42.18	374.48	6.80	-35.38
O=C(C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190017	1	43	-1.0	-42.20	374.55	6.80	-35.40
CCCN1C2=CC=C(OC)C=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020190018	0	50	-1.0	-51.02	405.50	7.08	-43.94
CCCN1C2=CC=C(OC)C=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020190018	1	50	-1.0	-51.02	405.57	7.09	-43.93
O=C(C1=CC(N2CCOCC2)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190019	0	42	-1.0	-44.37	334.00	1.58	-42.79
O=C(C1=CC(N2CCOCC2)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190019	1	42	-1.0	-44.39	334.07	1.59	-42.80
O=C(C1=CSC(C2=CC=CS2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190020	0	33	-1.0	-43.21	311.62	4.28	-38.93
O=C(C1=CSC(C2=CC=CS2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190020	1	33	-1.0	-43.20	311.55	4.26	-38.94
O=C(C1=CC=CC=C1COC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190021	0	44	-1.0	-44.28	360.18	7.08	-37.20
O=C(C1=CC=CC=C1COC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190021	1	44	-1.0	-44.27	360.25	7.10	-37.17
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1CC1	REAL300020190022	0	41	-1.0	-45.93	323.51	5.73	-40.20
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1CC1	REAL300020190022	1	41	-1.0	-45.87	323.59	5.73	-40.14
O=C(C1=NN(CC2=CC=CC=C2)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190023	0	42	-1.0	-40.98	355.52	5.23	-35.75
O=C(C1=NN(CC2=CC=CC=C2)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190023	1	42	-1.0	-41.00	355.59	5.24	-35.76
N#CCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190024	0	39	-1.0	-49.77	340.51	5.24	-44.53
N#CCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190024	1	39	-1.0	-49.78	340.59	5.26	-44.52
CCOC(=O)C1=C(C)N(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)N=C1	REAL300020190025	0	49	-1.0	-46.88	401.68	6.69	-40.19
CCOC(=O)C1=C(C)N(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020190025	1	49	-1.0	-46.85	401.76	6.71	-40.14
O=C(C1=C(CSC2=CC=CC=C2)C=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190026	0	41	-1.0	-45.23	355.39	6.97	-38.26
O=C(C1=C(CSC2=CC=CC=C2)C=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190026	1	41	-1.0	-45.26	355.46	6.97	-38.29
CCN1C(=O)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020190027	0	43	-1.0	-52.99	362.13	6.41	-46.58
CCN1C(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020190027	1	43	-1.0	-52.95	362.20	6.42	-46.53
CC1=NC(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C#N)C(C)=C1C	REAL300020190028	0	43	-1.0	-48.96	369.99	5.54	-43.42
CC1=NC(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C#N)C(C)=C1C	REAL300020190028	1	43	-1.0	-49.00	370.06	5.56	-43.44
CC1=CC(C)=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020190029	0	40	-1.0	-42.46	326.52	5.39	-37.07
CC1=CC(C)=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020190029	1	40	-1.0	-42.46	326.60	5.41	-37.05
NS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190030	0	39	-1.0	-50.16	344.01	0.18	-49.98
NS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190030	1	39	-1.0	-50.23	344.09	0.19	-50.04
CC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020190031	0	39	-1.0	-42.61	337.58	6.69	-35.92
CC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020190031	1	39	-1.0	-42.62	337.66	6.69	-35.93
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(S(N)(=O)=O)=C1C	REAL300020190032	0	41	-1.0	-48.60	340.54	-0.03	-48.63
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(S(N)(=O)=O)=C1C	REAL300020190032	1	41	-1.0	-48.63	340.61	-0.03	-48.66
CC1=NC(C2=CC=C(C)C=C2)=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020190033	0	45	-1.0	-46.33	380.10	6.57	-39.76
CC1=NC(C2=CC=C(C)C=C2)=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020190033	1	45	-1.0	-46.28	380.03	6.56	-39.72
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190034	0	41	-1.0	-46.09	352.73	0.91	-45.18
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190034	1	41	-1.0	-46.18	352.80	0.92	-45.26
CCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020190035	0	41	-1.0	-44.05	330.51	3.68	-40.37
CCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020190035	1	41	-1.0	-44.04	330.58	3.70	-40.34
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC	REAL300020190036	0	42	-1.0	-53.57	346.56	-0.40	-53.97
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC	REAL300020190036	1	42	-1.0	-53.60	346.64	-0.40	-54.00
CCC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190037	0	47	-1.0	-47.13	387.47	2.06	-45.07
CCC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190037	1	47	-1.0	-47.15	387.55	2.07	-45.08
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CSC=C1	REAL300020190038	0	41	-1.0	-44.81	354.11	4.92	-39.89
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CSC=C1	REAL300020190038	1	41	-1.0	-44.82	354.18	4.93	-39.89
CSC1=NC(C2CC2)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C#N	REAL300020190039	0	41	-1.0	-45.79	359.27	5.40	-40.39
CSC1=NC(C2CC2)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020190039	1	41	-1.0	-45.76	359.35	5.42	-40.34
COCCOC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020190040	0	47	-1.0	-49.79	393.26	4.72	-45.07
COCCOC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020190040	1	47	-1.0	-49.79	393.33	4.73	-45.06
O=C(C1=CC=C2C(=C1)N=C1CCCCCN1C2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190041	0	48	-1.0	-46.94	372.86	5.93	-41.01
O=C(C1=CC=C2C(=C1)N=C1CCCCCN1C2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190041	1	48	-1.0	-46.97	372.93	5.94	-41.03
O=C(CC(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190042	0	50	-1.0	-51.34	415.30	7.62	-43.72
O=C(CC(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190042	1	50	-1.0	-51.30	415.37	7.62	-43.68
O=C(C1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190043	0	46	-1.0	-49.76	379.46	6.56	-43.20
O=C(C1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190043	1	46	-1.0	-49.75	379.39	6.56	-43.19
CCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190044	0	40	-1.0	-43.59	322.80	4.58	-39.01
CCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190044	1	40	-1.0	-43.63	322.87	4.59	-39.04
CCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020190045	0	47	-1.0	-43.31	373.86	5.41	-37.90
CCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020190045	1	47	-1.0	-43.34	373.93	5.42	-37.92
CSCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190046	0	37	-1.0	-44.48	316.03	5.46	-39.02
CSCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190046	1	37	-1.0	-44.49	316.11	5.47	-39.02
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CC(C)N1N=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020190078	0	41	-1.0	-45.29	337.00	4.31	-40.98
CC(C)N1N=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020190078	1	41	-1.0	-45.30	336.92	4.30	-41.00
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CC1=NOC2=NC(C(C)C)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190080	0	43	-1.0	-40.54	348.25	2.50	-38.04
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190080	1	43	-1.0	-40.55	348.32	2.51	-38.04
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190081	0	41	-1.0	-42.05	337.80	2.70	-39.35
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COC1=CC=C(C2=NNC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190082	0	41	-1.0	-47.84	335.37	2.97	-44.87
COC1=CC=C(C2=NNC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190082	1	41	-1.0	-47.81	335.43	2.99	-44.82
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CSC1=NC(C)=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020190088	1	42	-1.0	-49.66	360.88	3.30	-46.36
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CSC1=NC(C)=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300020190088	1	41	-2.0	-92.20	357.64	2.16	-90.04
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O=C(C1CC(=O)N(C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190091	1	41	-1.0	-46.15	332.09	4.88	-41.27
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O=C(C1=CN(C2=CC=C(Cl)C=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190093	0	36	-1.0	-41.58	327.01	4.43	-37.15
O=C(C1=CN(C2=CC=C(Cl)C=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190093	1	36	-1.0	-41.60	326.94	4.41	-37.19
CNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190094	0	41	-1.0	-46.12	348.93	0.50	-45.62
CNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190094	1	41	-1.0	-46.15	349.00	0.51	-45.64
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O=C(C=CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190095	1	43	-1.0	-50.64	383.17	8.60	-42.04
CC1CN(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC(C)O1	REAL300020190096	0	52	-1.0	-44.43	396.56	4.43	-40.00
CC1CN(CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020190096	1	52	-1.0	-44.43	396.63	4.44	-39.99
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020190096	1	53	0.0	-76.52	403.23	6.37	-70.15
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190097	0	38	-1.0	-42.11	319.71	4.76	-37.35
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190097	1	38	-1.0	-42.10	319.78	4.76	-37.34
C#CCNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190098	0	40	-1.0	-48.69	353.42	1.07	-47.62
C#CCNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190098	1	40	-1.0	-48.68	353.49	1.08	-47.60
COCCNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190099	0	45	-1.0	-48.60	381.01	-0.33	-48.93
COCCNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190099	1	45	-1.0	-48.61	381.08	-0.31	-48.92
CC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190100	0	47	-1.0	-46.69	383.97	2.94	-43.75
CC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190100	1	47	-1.0	-46.75	384.05	2.95	-43.80
COC1=CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020190101	0	39	-1.0	-43.52	325.32	4.19	-39.33
COC1=CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020190101	1	39	-1.0	-43.52	325.24	4.17	-39.35
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OCC(N)=O	REAL300020190102	0	42	-1.0	-49.61	367.22	1.38	-48.23
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OCC(N)=O	REAL300020190102	1	42	-1.0	-49.63	367.30	1.40	-48.23
CC1=CC=C(S(=O)(=O)NC2CC2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190103	0	45	-1.0	-46.66	380.97	2.18	-44.48
CC1=CC=C(S(=O)(=O)NC2CC2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190103	1	45	-1.0	-46.64	381.04	2.18	-44.46
CC(C)N1N=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C3=CC=CO3)N=C21	REAL300020190104	0	48	-1.0	-43.57	402.71	6.16	-37.41
CC(C)N1N=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C3=CC=CO3)N=C21	REAL300020190104	1	48	-1.0	-43.62	402.64	6.16	-37.46
CCN1N=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C3=CC=CC=C3)N=C21	REAL300020190105	0	48	-1.0	-43.03	396.66	7.34	-35.69
CCN1N=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C3=CC=CC=C3)N=C21	REAL300020190105	1	48	-1.0	-43.00	396.59	7.34	-35.66
O=C(C1=C(C2CC2)N(C2=CC=C(F)C=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190106	0	43	-1.0	-41.71	360.99	5.68	-36.03
O=C(C1=C(C2CC2)N(C2=CC=C(F)C=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190106	1	43	-1.0	-41.68	361.05	5.70	-35.98
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1	REAL300020190107	0	36	-1.0	-41.15	307.57	3.52	-37.63
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020190107	1	36	-1.0	-41.12	307.64	3.54	-37.58
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C2C=NN(C(C)C)C2=N1	REAL300020190108	0	44	-1.0	-43.84	362.37	5.00	-38.84
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C2C=NN(C(C)C)C2=N1	REAL300020190108	1	44	-1.0	-43.84	362.44	5.01	-38.83
O=C(C1=CNN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190109	0	37	-1.0	-47.85	305.87	3.68	-44.17
O=C(C1=CNN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190109	1	37	-1.0	-47.78	305.94	3.68	-44.10
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190110	0	42	-1.0	-45.65	364.82	4.14	-41.51
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190110	1	42	-1.0	-45.71	364.90	4.14	-41.57
CC1=CC=CC(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020190111	0	43	-1.0	-43.54	347.68	5.68	-37.86
CC1=CC=CC(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020190111	1	43	-1.0	-43.54	347.76	5.70	-37.84
CC1=NC(COC2=CC=CC(C=CC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=CS1	REAL300020190112	0	47	-1.0	-46.93	406.18	6.32	-40.61
CC1=NC(COC2=CC=CC(C=CC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=CS1	REAL300020190112	1	47	-1.0	-46.96	406.25	6.34	-40.62
CS(=O)(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020190113	0	41	-1.0	-42.19	336.00	0.59	-41.60
CS(=O)(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020190113	1	41	-1.0	-42.18	336.07	0.61	-41.57
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL300020190114	0	41	-1.0	-44.74	357.17	4.98	-39.76
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300020190114	1	41	-1.0	-44.80	357.24	5.00	-39.80
CC1=CC=C(N2C=NN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020190115	0	46	-1.0	-45.98	394.67	8.98	-37.00
CC1=CC=C(N2C=NN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020190115	1	46	-1.0	-45.98	394.60	8.96	-37.02
CC1=NOC2=NC(C3=CC=C(F)C=C3)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190116	0	44	-1.0	-40.71	371.37	4.47	-36.24
CC1=NOC2=NC(C3=CC=C(F)C=C3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190116	1	44	-1.0	-40.63	371.28	4.47	-36.16
CC1=C(C=C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(C#N)N1C	REAL300020190117	0	40	-1.0	-47.12	346.30	5.31	-41.81
CC1=C(C=C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(C#N)N1C	REAL300020190117	1	40	-1.0	-47.06	346.38	5.31	-41.75
O=C(C=CC1=CC=CC2=CC=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020190118	0	39	-1.0	-51.81	330.69	5.77	-46.04
O=C(C=CC1=CC=CC2=CC=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020190118	1	39	-1.0	-51.78	330.76	5.78	-46.00
CC1=NN(C)C2=NC(C)=C(CCC(=O)N3CCC(C4=N[N-]N=N4)C3)C(C)=C12	REAL300020190119	0	50	-1.0	-46.86	395.88	6.13	-40.73
CC1=NN(C)C2=NC(C)=C(CCC(=O)N3CCC(C4=NN=N[N-]4)C3)C(C)=C12	REAL300020190119	1	50	-1.0	-46.86	395.96	6.13	-40.73
O=C(COC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190120	0	45	-1.0	-47.51	378.34	7.52	-39.99
O=C(COC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190120	1	45	-1.0	-47.51	378.41	7.53	-39.98
CC(=O)NC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190121	0	41	-1.0	-50.91	346.15	4.13	-46.78
CC(=O)NC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190121	1	41	-1.0	-50.91	346.22	4.14	-46.77
O=C(C1=CC(Cl)=C(Cl)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190122	0	28	-1.0	-39.25	271.56	2.87	-36.38
O=C(C1=CC(Cl)=C(Cl)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190122	1	28	-1.0	-39.24	271.63	2.87	-36.37
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020190123	0	43	-1.0	-43.09	354.24	5.98	-37.11
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020190123	1	43	-1.0	-43.08	354.31	5.98	-37.10
O=C(C1CC(=O)NC2=CC(F)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020190124	0	38	-1.0	-51.18	322.69	2.96	-48.22
O=C(C1CC(=O)NC2=CC(F)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020190124	1	38	-1.0	-51.19	322.76	2.97	-48.22
O=C(CC1=CC=CC=C1)NCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190125	0	43	-1.0	-53.86	361.82	3.90	-49.96
O=C(CC1=CC=CC=C1)NCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190125	1	43	-1.0	-53.92	361.89	3.90	-50.02
CC1=NC(COC2=CC=C(C=CC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=CS1	REAL300020190126	0	47	-1.0	-46.29	406.12	6.33	-39.96
CC1=NC(COC2=CC=C(C=CC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=CS1	REAL300020190126	1	47	-1.0	-46.30	406.19	6.34	-39.96
O=C(C1=CC=C(C(F)(F)F)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190127	0	33	-1.0	-52.80	303.75	1.76	-51.04
O=C(C1=CC=C(C(F)(F)F)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190127	1	33	-1.0	-52.81	303.82	1.78	-51.03
O=C(CCC1CC2=CC=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190128	0	44	-1.0	-45.02	357.77	4.46	-40.56
O=C(CCC1CC2=CC=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190128	1	44	-1.0	-45.02	357.84	4.47	-40.55
CC(C)(OC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190129	0	40	-1.0	-42.21	317.30	4.43	-37.78
CC(C)(OC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190129	1	40	-1.0	-42.20	317.38	4.44	-37.76
O=C(C1=NN(C2=CC=CC=C2)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190130	0	39	-1.0	-41.64	332.53	4.77	-36.87
O=C(C1=NN(C2=CC=CC=C2)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190130	1	39	-1.0	-41.65	332.60	4.77	-36.88
O=C(C1=CC=CN=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190131	0	36	-1.0	-48.82	321.69	2.64	-46.18
O=C(C1=CC=CN=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190131	1	36	-1.0	-48.81	321.62	2.62	-46.19
O=C(C(SC1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190132	0	44	-1.0	-45.72	369.98	8.36	-37.36
O=C(C(SC1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190132	1	44	-1.0	-45.71	370.05	8.38	-37.33
O=C(C1=CC=CC=C1OCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190133	0	44	-1.0	-48.69	370.82	7.85	-40.84
O=C(C1=CC=CC=C1OCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190133	1	44	-1.0	-48.72	370.89	7.86	-40.86
O=C(C1=CC=CC=C1OCCOC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190134	0	48	-1.0	-52.24	394.33	7.58	-44.66
O=C(C1=CC=CC=C1OCCOC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190134	1	48	-1.0	-52.24	394.40	7.59	-44.65
CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020190135	0	35	-1.0	-53.23	302.45	5.55	-47.68
CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020190135	1	35	-1.0	-53.22	302.52	5.55	-47.67
COC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC(F)F	REAL300020190136	0	38	-1.0	-48.94	324.49	3.87	-45.07
COC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC(F)F	REAL300020190136	1	38	-1.0	-48.94	324.56	3.88	-45.06
O=C(C1=CC=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190137	0	34	-1.0	-46.00	292.39	4.09	-41.91
O=C(C1=CC=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190137	1	34	-1.0	-45.99	292.46	4.09	-41.90
CC1=CC=CC=C1COC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190138	0	47	-1.0	-50.41	380.61	8.45	-41.96
CC1=CC=CC=C1COC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190138	1	47	-1.0	-50.40	380.68	8.46	-41.94
CS(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190139	0	36	-1.0	-50.61	307.57	2.45	-48.16
CS(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190139	1	36	-1.0	-50.62	307.64	2.46	-48.16
O=C(C1=CC=CC=C1SC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190140	0	34	-1.0	-44.76	301.29	4.94	-39.82
O=C(C1=CC=CC=C1SC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190140	1	34	-1.0	-44.75	301.37	4.94	-39.81
CC1=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(N2C=CC=C2)S1	REAL300020190141	0	41	-1.0	-45.05	349.35	7.23	-37.82
CC1=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(N2C=CC=C2)S1	REAL300020190141	1	41	-1.0	-45.06	349.42	7.25	-37.81
CCSC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190142	0	37	-1.0	-46.32	313.16	5.54	-40.78
CCSC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190142	1	37	-1.0	-46.31	313.23	5.54	-40.77
CC1=NOC(CSC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190143	0	43	-1.0	-50.26	370.10	6.75	-43.51
CC1=NOC(CSC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190143	1	43	-1.0	-50.29	370.17	6.77	-43.52
CC1=NC(COC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020190144	0	42	-1.0	-54.25	356.05	3.30	-50.95
CC1=NC(COC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020190144	1	42	-1.0	-54.29	356.12	3.31	-50.98
O=C(C1=C(N2C=CC=C2)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190145	0	35	-1.0	-45.64	301.85	5.70	-39.94
O=C(C1=C(N2C=CC=C2)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190145	1	35	-1.0	-45.64	301.92	5.70	-39.94
CC1=NC(CSC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020190146	0	43	-1.0	-49.72	379.66	6.27	-43.45
CC1=NC(CSC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020190146	1	43	-1.0	-49.73	379.73	6.28	-43.45
COC1=CC(Br)=C(OC)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190147	0	38	-1.0	-43.88	336.67	3.68	-40.20
COC1=CC(Br)=C(OC)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190147	1	38	-1.0	-43.93	336.74	3.71	-40.22
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N1	REAL300020190148	0	40	-1.0	-47.44	332.08	5.30	-42.14
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N1	REAL300020190148	1	40	-1.0	-47.48	332.15	5.32	-42.16
O=C(CCC1=NC=C(C2=CC=CC=C2Cl)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190149	0	42	-1.0	-44.92	372.59	4.45	-40.47
O=C(CCC1=NC=C(C2=CC=CC=C2Cl)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190149	1	42	-1.0	-44.88	372.67	4.45	-40.43
O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190150	0	42	-1.0	-44.05	374.05	4.57	-39.48
O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190150	1	42	-1.0	-44.03	374.12	4.59	-39.44
O=C(CCC1=NC=C(C2=CC=C(F)C=C2F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190151	0	42	-1.0	-46.31	372.01	4.27	-42.04
O=C(CCC1=NC=C(C2=CC=C(F)C=C2F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190151	1	42	-1.0	-46.31	372.08	4.27	-42.04
O=C(C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190152	0	45	-1.0	-45.75	376.12	6.62	-39.13
O=C(C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190152	1	45	-1.0	-45.76	376.05	6.62	-39.14
COC1=CC=C(N2N=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C)C=C1	REAL300020190153	0	43	-1.0	-42.70	356.28	3.68	-39.02
COC1=CC=C(N2N=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C)C=C1	REAL300020190153	1	43	-1.0	-42.77	356.35	3.69	-39.08
CC1=CC=C(C2=NNC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020190154	0	40	-1.0	-41.77	333.54	4.78	-36.99
CC1=CC=C(C2=NNC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020190154	1	40	-1.0	-41.81	333.61	4.78	-37.03
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190155	0	37	-1.0	-40.73	328.86	4.62	-36.11
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190155	1	37	-1.0	-40.73	328.94	4.63	-36.10
NC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190156	0	36	-1.0	-49.13	299.34	-0.37	-49.50
NC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190156	1	36	-1.0	-49.13	299.42	-0.36	-49.49
O=C(C1=NOC(C2=CC=CC(Cl)=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190157	0	36	-1.0	-40.83	328.57	5.72	-35.11
O=C(C1=NOC(C2=CC=CC(Cl)=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190157	1	36	-1.0	-40.82	328.50	5.72	-35.10
O=C(C1=NOC(C2=CC=CC=C2F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190158	0	36	-1.0	-42.76	319.92	5.36	-37.40
O=C(C1=NOC(C2=CC=CC=C2F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190158	1	36	-1.0	-42.71	319.85	5.35	-37.36
CCOC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020190159	0	43	-1.0	-40.35	337.64	1.42	-38.93
CCOC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020190159	1	43	-1.0	-40.33	337.72	1.42	-38.91
O=C(C1CC(=O)NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020190160	0	38	-1.0	-42.39	315.57	2.89	-39.50
O=C(C1CC(=O)NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020190160	1	38	-1.0	-42.42	315.64	2.89	-39.53
CC1=NC(CSC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=CS1	REAL300020190161	0	43	-1.0	-46.07	378.05	6.13	-39.94
CC1=NC(CSC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=CS1	REAL300020190161	1	43	-1.0	-46.09	378.12	6.14	-39.95
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020190162	0	40	-1.0	-42.88	344.17	5.77	-37.11
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020190162	1	40	-1.0	-42.87	344.24	5.78	-37.09
O=C(C=CC1=CC=C(C2=CC=CC(Cl)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190163	0	41	-1.0	-44.89	374.76	8.52	-36.37
O=C(C=CC1=CC=C(C2=CC=CC(Cl)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190163	1	41	-1.0	-44.83	374.83	8.54	-36.29
CC(C)C1=CC=C(C2=NOC(CCC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020190164	0	50	-1.0	-44.15	413.27	6.14	-38.01
CC(C)C1=CC=C(C2=NOC(CCC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020190164	1	50	-1.0	-44.15	413.19	6.12	-38.03
CC1=CC=CC(COC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020190165	0	47	-1.0	-47.89	382.70	7.51	-40.38
CC1=CC=CC(COC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020190165	1	47	-1.0	-47.86	382.77	7.52	-40.34
CC1=NN(C)C2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020190166	0	38	-1.0	-45.04	316.46	3.33	-41.71
CC1=NN(C)C2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020190166	1	38	-1.0	-45.07	316.53	3.34	-41.73
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020190167	0	40	-1.0	-45.06	341.20	4.61	-40.45
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020190167	1	40	-1.0	-45.06	341.27	4.62	-40.44
COC1=C(OC)C(OC)=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020190168	0	46	-1.0	-43.01	380.20	3.36	-39.65
COC1=C(OC)C(OC)=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020190168	1	46	-1.0	-43.05	380.27	3.37	-39.68
O=C(CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020190169	0	45	-1.0	-47.58	372.77	7.47	-40.11
O=C(CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020190169	1	45	-1.0	-47.61	372.85	7.48	-40.13
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)O1	REAL300020190170	0	42	-1.0	-50.49	357.16	3.90	-46.59
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CC=C2)O1	REAL300020190170	1	42	-1.0	-50.50	357.09	3.88	-46.62
O=C(C1=CN(CC2=CC=CC=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190171	0	39	-1.0	-44.23	335.53	4.38	-39.85
O=C(C1=CN(CC2=CC=CC=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190171	1	39	-1.0	-44.25	335.46	4.37	-39.88
COC1=CC=CC=C1C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020190172	0	40	-1.0	-43.13	342.72	4.66	-38.47
COC1=CC=CC=C1C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020190172	1	40	-1.0	-43.13	342.65	4.66	-38.47
CC(C)C1=CC=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190173	0	43	-1.0	-46.94	349.85	6.59	-40.35
CC(C)C1=CC=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190173	1	43	-1.0	-46.94	349.92	6.60	-40.34
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190174	0	45	-1.0	-42.07	363.95	5.37	-36.70
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190174	1	45	-1.0	-42.05	364.02	5.39	-36.66
CC1=NN(C)C2=NC(C)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190175	0	41	-1.0	-43.20	335.93	3.94	-39.26
CC1=NN(C)C2=NC(C)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190175	1	41	-1.0	-43.23	336.01	3.95	-39.28
O=C(C1=CC=CN=C1SC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190176	0	33	-1.0	-45.93	299.87	3.77	-42.16
O=C(C1=CC=CN=C1SC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190176	1	33	-1.0	-45.93	299.80	3.76	-42.17
O=C(C1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190177	0	33	-1.0	-46.34	288.14	4.68	-41.66
O=C(C1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190177	1	33	-1.0	-46.34	288.22	4.70	-41.64
NC(=O)NC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020190178	0	42	-1.0	-51.06	352.68	1.69	-49.37
NC(=O)NC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020190178	1	42	-1.0	-51.08	352.75	1.70	-49.38
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(COC2=CC=C(F)C=C2)=N1	REAL300020190179	0	43	-1.0	-42.72	372.71	4.89	-37.83
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(COC2=CC=C(F)C=C2)=N1	REAL300020190179	1	43	-1.0	-42.74	372.78	4.91	-37.83
CN1C(=O)N(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020190180	0	43	-1.0	-48.45	361.34	5.94	-42.51
CN1C(=O)N(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020190180	1	43	-1.0	-48.39	361.42	5.96	-42.43
O=C(C1=C(S(=O)(=O)N2CCCC2)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190181	0	42	-1.0	-47.08	349.82	2.63	-44.45
O=C(C1=C(S(=O)(=O)N2CCCC2)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190181	1	42	-1.0	-47.09	349.90	2.64	-44.45
O=C(C1=CC2=C(OC(F)F)C=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190182	0	38	-1.0	-45.31	323.69	3.67	-41.64
O=C(C1=CC2=C(OC(F)F)C=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190182	1	38	-1.0	-45.35	323.76	3.70	-41.65
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190183	0	42	-1.0	-45.01	357.31	4.06	-40.95
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190183	1	42	-1.0	-45.03	357.38	4.07	-40.96
O=C(C1=CC(C2=CC=C(F)C=C2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190184	0	37	-1.0	-41.08	318.54	4.17	-36.91
O=C(C1=CC(C2=CC=C(F)C=C2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190184	1	37	-1.0	-41.08	318.62	4.17	-36.91
CC1=CC=C(C(=O)N2CCCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)C=C1	REAL300020190185	0	50	-1.0	-46.41	393.87	6.39	-40.02
CC1=CC=C(C(=O)N2CCCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020190185	1	50	-1.0	-46.40	393.95	6.40	-40.00
CC1=NOC2=NC(C)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190186	0	37	-1.0	-43.65	309.99	1.26	-42.39
CC1=NOC2=NC(C)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190186	1	37	-1.0	-43.66	310.07	1.28	-42.38
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190187	0	41	-1.0	-41.84	349.80	2.44	-39.40
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190187	1	41	-1.0	-41.80	349.73	2.43	-39.37
O=C(C1=CC=C(CN2C=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190188	0	40	-1.0	-49.08	333.73	5.23	-43.85
O=C(C1=CC=C(CN2C=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190188	1	40	-1.0	-49.09	333.66	5.21	-43.88
CC1=CC(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C3C(C)=NOC3=N2)=C(C)O1	REAL300020190189	0	47	-1.0	-41.90	388.40	4.58	-37.32
CC1=CC(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C3C(C)=NOC3=N2)=C(C)O1	REAL300020190189	1	47	-1.0	-41.87	388.47	4.59	-37.28
CC(C)(C)C(=O)NCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190190	0	45	-1.0	-46.35	361.75	2.96	-43.39
CC(C)(C)C(=O)NCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190190	1	45	-1.0	-46.32	361.82	2.96	-43.36
NC(=O)NC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL300020190191	0	39	-1.0	-50.03	343.51	0.64	-49.39
NC(=O)NC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300020190191	1	39	-1.0	-50.07	343.59	0.65	-49.42
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020190192	0	32	-1.0	-46.10	293.97	-2.94	-49.04
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020190192	1	32	-1.0	-46.07	294.04	-2.93	-49.00
O=C(C1CC(C2=CC=CC(F)=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190193	0	38	-1.0	-48.55	327.87	5.38	-43.17
O=C(C1CC(C2=CC=CC(F)=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190193	1	38	-1.0	-48.58	327.94	5.39	-43.19
O=C(C1=CC=C(CN2C=NC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190194	0	39	-1.0	-51.47	328.65	6.66	-44.81
O=C(C1=CC=C(CN2C=NC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190194	1	39	-1.0	-51.46	328.58	6.65	-44.81
O=C(C1=CC=C(N2CCOCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190195	0	42	-1.0	-45.25	331.55	1.80	-43.45
O=C(C1=CC=C(N2CCOCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190195	1	42	-1.0	-45.21	331.47	1.79	-43.42
CC1=CC=CC(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)=C1C	REAL300020190196	0	47	-1.0	-53.69	377.79	6.80	-46.89
CC1=CC=CC(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)=C1C	REAL300020190196	1	47	-1.0	-53.70	377.86	6.82	-46.88
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=O)OC2=CC=CC=C21	REAL300020190197	0	39	-1.0	-56.94	325.56	5.53	-51.41
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=O)OC2=CC=CC=C21	REAL300020190197	1	39	-1.0	-56.95	325.64	5.55	-51.40
CC1=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC(=O)N1	REAL300020190198	0	39	-1.0	-50.82	328.34	0.28	-50.54
CC1=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC(=O)N1	REAL300020190198	1	39	-1.0	-50.79	328.41	0.28	-50.51
O=C(C1CC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190199	0	35	-1.0	-42.87	302.45	5.53	-37.34
O=C(C1CC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190199	1	35	-1.0	-42.88	302.52	5.55	-37.33
CC1=CC(N2C(C)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C)=NO1	REAL300020190200	0	43	-1.0	-48.96	352.05	6.57	-42.39
CC1=CC(N2C(C)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C)=NO1	REAL300020190200	1	43	-1.0	-48.94	352.12	6.58	-42.36
CN1C(=O)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020190201	0	40	-1.0	-52.85	339.86	5.48	-47.37
CN1C(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020190201	1	40	-1.0	-52.85	339.94	5.49	-47.36
O=C(C1=CC=C(SC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190202	0	34	-1.0	-43.41	299.68	4.80	-38.61
O=C(C1=CC=C(SC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190202	1	34	-1.0	-43.39	299.75	4.82	-38.57
O=C(C=CC1=CC=CC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020190203	0	40	-1.0	-46.07	333.18	7.38	-38.69
O=C(C=CC1=CC=CC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020190203	1	40	-1.0	-46.06	333.25	7.40	-38.66
O=C(CCN1C=NC2=C(C=CS2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190204	0	38	-1.0	-50.71	338.02	4.84	-45.87
O=C(CCN1C=NC2=C(C=CS2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190204	1	38	-1.0	-50.70	337.95	4.83	-45.87
O=C(C1=CC=CC(N2CCCS2(=O)=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190205	0	42	-1.0	-56.03	346.62	2.06	-53.97
O=C(C1=CC=CC(N2CCCS2(=O)=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190205	1	42	-1.0	-56.01	346.69	2.08	-53.93
O=C(C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190206	0	43	-1.0	-48.55	376.05	7.65	-40.90
O=C(C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190206	1	43	-1.0	-48.57	375.98	7.64	-40.93
O=C(C1=CC=C(OCC(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190207	0	36	-1.0	-42.75	318.60	1.72	-41.03
O=C(C1=CC=C(OCC(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190207	1	36	-1.0	-42.72	318.53	1.70	-41.02
CC1=CC=C(CNC(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190208	0	45	-1.0	-43.07	377.05	2.61	-40.46
CC1=CC=C(CNC(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190208	1	45	-1.0	-43.07	377.13	2.62	-40.45
O=C(CNC(=O)NCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190209	0	42	-1.0	-43.38	362.06	2.00	-41.38
O=C(CNC(=O)NCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190209	1	42	-1.0	-43.35	362.13	2.01	-41.34
O=C(C=CC1=CC=C(SC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190210	0	38	-1.0	-42.97	346.04	6.69	-36.28
O=C(C=CC1=CC=C(SC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190210	1	38	-1.0	-42.96	346.11	6.71	-36.25
CCC(C)C1=CC=CC=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190211	0	46	-1.0	-46.95	366.71	7.31	-39.64
CCC(C)C1=CC=CC=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190211	1	46	-1.0	-46.98	366.78	7.32	-39.66
O=C(C1=CC2=CC(Br)=CC=C2OC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190212	0	36	-1.0	-40.69	327.32	5.02	-35.67
O=C(C1=CC2=CC(Br)=CC=C2OC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190212	1	36	-1.0	-40.71	327.40	5.03	-35.68
O=C(CN1C(=O)COC2=CC=C(Cl)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020190213	0	39	-1.0	-50.06	343.94	4.02	-46.04
O=C(CN1C(=O)COC2=CC=C(Cl)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020190213	1	39	-1.0	-50.08	344.02	4.02	-46.06
O=C(C1=CC2=CC=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190214	0	36	-1.0	-52.69	311.72	3.01	-49.68
O=C(C1=CC2=CC=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190214	1	36	-1.0	-52.68	311.79	3.03	-49.65
CC(C)(C)C1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190215	0	46	-1.0	-44.02	375.40	7.57	-36.45
CC(C)(C)C1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190215	1	46	-1.0	-44.01	375.48	7.58	-36.43
CC1=CC=C2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020190216	0	38	-1.0	-42.63	323.90	6.20	-36.43
CC1=CC=C2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020190216	1	38	-1.0	-42.64	323.97	6.22	-36.42
O=C(C1CCCCN1S(=O)(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190217	0	48	-1.0	-49.50	380.70	4.80	-44.70
O=C(C1CCCCN1S(=O)(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190217	1	48	-1.0	-49.51	380.77	4.82	-44.69
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190218	0	38	-1.0	-52.13	326.99	0.14	-51.99
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190218	1	38	-1.0	-52.18	327.07	0.15	-52.03
CC1=CC=C(CNC(=O)NC(CC(C)C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190219	0	57	-1.0	-41.70	445.04	5.46	-36.24
CC1=CC=C(CNC(=O)NC(CC(C)C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190219	1	57	-1.0	-41.65	445.11	5.48	-36.17
CC1=NC(COC2=CC=CC=C2C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020190220	0	47	-1.0	-48.57	405.06	6.39	-42.18
CC1=NC(COC2=CC=CC=C2C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020190220	1	47	-1.0	-48.60	405.13	6.40	-42.20
COC1=CC=C(C2=NOC(CCC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020190221	0	45	-1.0	-44.91	382.54	3.54	-41.37
COC1=CC=C(C2=NOC(CCC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020190221	1	45	-1.0	-44.89	382.46	3.53	-41.36
COC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020190222	0	40	-1.0	-44.64	347.66	5.43	-39.21
COC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020190222	1	40	-1.0	-44.62	347.73	5.44	-39.18
COC1=CC=CC=C1N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020190223	0	45	-1.0	-56.26	367.57	4.53	-51.73
COC1=CC=CC=C1N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020190223	1	45	-1.0	-56.22	367.65	4.53	-51.69
CC1=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC(N2CCOCC2)=N1	REAL300020190224	0	51	-1.0	-51.38	404.20	4.85	-46.53
CC1=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC(N2CCOCC2)=N1	REAL300020190224	1	51	-1.0	-51.36	404.27	4.86	-46.50
CCCC(NC(=O)NCC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190225	0	51	-1.0	-41.73	415.69	3.74	-37.99
CCCC(NC(=O)NCC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190225	1	51	-1.0	-41.77	415.77	3.76	-38.01
O=C(C1=CC=C2C(=O)N(CC3CCCO3)C(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190226	0	48	-1.0	-44.47	394.37	4.15	-40.32
O=C(C1=CC=C2C(=O)N(CC3CCCO3)C(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190226	1	48	-1.0	-44.45	394.45	4.15	-40.30
C=CCN1C(=O)C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300020190227	0	42	-2.0	-84.26	365.46	5.37	-78.89
C=CCN1C(=O)C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300020190227	1	42	-2.0	-84.26	365.53	5.38	-78.88
CN1C(=O)C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300020190228	0	38	-2.0	-82.96	331.06	3.75	-79.21
CN1C(=O)C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300020190228	1	38	-2.0	-82.97	331.13	3.76	-79.21
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190229	0	40	-1.0	-41.48	327.63	4.88	-36.60
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190229	1	40	-1.0	-41.49	327.70	4.89	-36.60
O=C(C1=CC=CC=C1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190230	0	43	-1.0	-45.00	348.67	7.89	-37.11
O=C(C1=CC=CC=C1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190230	1	43	-1.0	-44.97	348.74	7.90	-37.07
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CC3CC(CC(Br)(C3)C1)C2	REAL300020190231	0	44	-1.0	-42.31	330.68	5.97	-36.34
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CC3CC(CC(Br)(C3)C1)C2	REAL300020190231	1	44	-1.0	-42.30	330.75	5.98	-36.32
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CC3CC(CC(Cl)(C3)C1)C2	REAL300020190232	0	44	-1.0	-42.38	326.18	5.86	-36.52
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CC3CC(CC(Cl)(C3)C1)C2	REAL300020190232	1	44	-1.0	-42.42	326.25	5.87	-36.55
CC1=CC=C(C23CC4CC(CC(C(=O)N5CCC(C6=N[N-]N=N6)C5)(C4)C2)C3)C=C1	REAL300020190233	0	57	-1.0	-45.24	403.76	9.22	-36.02
CC1=CC=C(C23CC4CC(CC(C(=O)N5CCC(C6=NN=N[N-]6)C5)(C4)C2)C3)C=C1	REAL300020190233	1	57	-1.0	-45.20	403.83	9.23	-35.97
O=C(CN1N=C2C=CC=CN2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190234	0	36	-1.0	-56.04	314.44	4.45	-51.59
O=C(CN1N=C2C=CC=CN2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190234	1	36	-1.0	-56.08	314.51	4.46	-51.62
O=C(C1=C(C(F)(F)F)C2=CC=CC=C2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190235	0	38	-1.0	-44.11	325.42	4.84	-39.27
O=C(C1=C(C(F)(F)F)C2=CC=CC=C2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190235	1	38	-1.0	-44.15	325.35	4.83	-39.32
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(F)C=C2)CCC1	REAL300020190236	0	40	-1.0	-43.77	320.41	5.98	-37.79
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(F)C=C2)CCC1	REAL300020190236	1	40	-1.0	-43.77	320.49	5.99	-37.78
CC(=O)N1CC2=CC=CC=C2CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190237	0	44	-1.0	-55.31	348.28	6.37	-48.94
CC(=O)N1CC2=CC=CC=C2CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190237	1	44	-1.0	-55.33	348.35	6.38	-48.95
CC1=CC(C=C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1CC(C)C	REAL300020190238	0	51	-1.0	-44.79	400.41	7.52	-37.27
CC1=CC(C=C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1CC(C)C	REAL300020190238	1	51	-1.0	-44.78	400.48	7.53	-37.25
COCCN1C(C)=CC(C=C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020190239	0	49	-1.0	-44.29	400.30	5.44	-38.85
COCCN1C(C)=CC(C=C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020190239	1	49	-1.0	-44.31	400.38	5.46	-38.85
O=C(C1=CC=CC(CN2C(=O)CSC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190240	0	41	-1.0	-51.32	355.61	4.32	-47.00
O=C(C1=CC=CC(CN2C(=O)CSC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190240	1	41	-1.0	-51.31	355.68	4.33	-46.98
O=C(C1CCN(C2=NN3N=NN=C3C=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190241	0	45	-1.0	-56.20	364.77	3.80	-52.40
O=C(C1CCN(C2=NN3N=NN=C3C=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190241	1	45	-1.0	-56.17	364.69	3.78	-52.39
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(F)C=C2)CCCC1	REAL300020190242	0	43	-1.0	-42.65	331.08	6.36	-36.29
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(F)C=C2)CCCC1	REAL300020190242	1	43	-1.0	-42.65	331.15	6.36	-36.29
N#CC1=CC=CC=C1SC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190243	0	42	-1.0	-54.35	371.41	8.02	-46.33
N#CC1=CC=CC=C1SC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190243	1	42	-1.0	-54.37	371.48	8.02	-46.35
O=C(C1=C2CCCC2=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020190244	0	42	-1.0	-44.57	345.14	6.03	-38.54
O=C(C1=C2CCCC2=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020190244	1	42	-1.0	-44.57	345.21	6.05	-38.52
O=C(C1=CC=CO1)N1CC2=CC=CC=C2CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190245	0	48	-1.0	-55.80	386.64	7.44	-48.36
O=C(C1=CC=CO1)N1CC2=CC=CC=C2CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190245	1	48	-1.0	-55.81	386.71	7.46	-48.35
CC12CCC(=O)N1C(C(=O)N1CCC(C3=N[N-]N=N3)C1)CS2	REAL300020190246	0	39	-1.0	-52.83	317.95	4.29	-48.54
CC12CCC(=O)N1C(C(=O)N1CCC(C3=NN=N[N-]3)C1)CS2	REAL300020190246	1	39	-1.0	-52.79	318.03	4.30	-48.49
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2=CC=CC=C2C(=O)O1	REAL300020190247	0	40	-1.0	-48.29	321.66	5.28	-43.01
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2=CC=CC=C2C(=O)O1	REAL300020190247	1	40	-1.0	-48.30	321.74	5.28	-43.02
CS(=O)(=O)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190248	0	38	-1.0	-48.11	313.18	0.47	-47.64
CS(=O)(=O)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190248	1	38	-1.0	-48.09	313.26	0.48	-47.61
O=C(C1=CNC(=S)N1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190249	0	38	-1.0	-53.08	333.37	6.15	-46.93
O=C(C1=CNC(=S)N1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190249	1	38	-1.0	-53.14	333.45	6.16	-46.98
O=C(CN1C(=S)NN=C1C1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190250	0	37	-1.0	-49.14	342.36	5.60	-43.54
O=C(CN1C(=S)NN=C1C1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190250	1	37	-1.0	-49.13	342.43	5.61	-43.52
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190250	1	36	-2.0	-98.33	338.94	5.44	-92.89
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190250	1	36	-2.0	-98.35	339.02	5.45	-92.90
CSC1=NC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020190251	0	32	-1.0	-40.39	300.53	3.58	-36.81
CSC1=NC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020190251	1	32	-1.0	-40.40	300.45	3.56	-36.84
CC12CC3CC(C)(C1)CC(C(=O)N1CCC(C4=N[N-]N=N4)C1)(C3)C2	REAL300020190252	0	50	-1.0	-42.55	350.31	6.39	-36.16
CC12CC3CC(C)(C1)CC(C(=O)N1CCC(C4=NN=N[N-]4)C1)(C3)C2	REAL300020190252	1	50	-1.0	-42.57	350.38	6.40	-36.17
CC1=CC=CC(N2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C(F)(F)F)=C1	REAL300020190253	0	43	-1.0	-45.42	361.61	6.12	-39.30
CC1=CC=CC(N2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C(F)(F)F)=C1	REAL300020190253	1	43	-1.0	-45.39	361.54	6.10	-39.29
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190254	0	40	-1.0	-45.64	340.20	5.45	-40.19
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190254	1	40	-1.0	-45.65	340.13	5.43	-40.22
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL300020190255	0	40	-1.0	-45.49	330.74	6.43	-39.06
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL300020190255	1	40	-1.0	-45.51	330.81	6.44	-39.07
O=C(C1=C(C(F)(F)F)N(C2=CC=C(F)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190256	0	40	-1.0	-43.82	346.62	5.52	-38.30
O=C(C1=C(C(F)(F)F)N(C2=CC=C(F)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190256	1	40	-1.0	-43.80	346.55	5.50	-38.30
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(F)=C2)CCC1	REAL300020190257	0	40	-1.0	-46.68	320.42	5.98	-40.70
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(F)=C2)CCC1	REAL300020190257	1	40	-1.0	-46.72	320.49	5.99	-40.73
CC1=CC=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2)=C1	REAL300020190258	0	43	-1.0	-43.89	335.42	6.57	-37.32
CC1=CC=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2)=C1	REAL300020190258	1	43	-1.0	-43.94	335.49	6.59	-37.35
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190259	0	53	-1.0	-41.16	408.55	4.63	-36.53
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190259	1	53	-1.0	-41.19	408.62	4.65	-36.54
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Br)C=C2)CC1	REAL300020190260	0	37	-1.0	-44.28	326.15	6.27	-38.01
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Br)C=C2)CC1	REAL300020190260	1	37	-1.0	-44.28	326.22	6.29	-37.99
CC1=NOC(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020190261	0	38	-1.0	-44.03	322.48	2.94	-41.09
CC1=NOC(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020190261	1	38	-1.0	-44.01	322.40	2.94	-41.07
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190262	0	45	-1.0	-47.50	367.69	5.73	-41.77
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190262	1	45	-1.0	-47.47	367.62	5.71	-41.76
O=C(C1=CC=CN=C1NC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190263	0	41	-1.0	-47.69	344.79	6.43	-41.26
O=C(C1=CC=CN=C1NC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190263	1	41	-1.0	-47.68	344.71	6.41	-41.27
CCOC1=CC=C(NC2=NC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190264	0	48	-1.0	-44.43	388.28	6.50	-37.93
CCOC1=CC=C(NC2=NC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190264	1	48	-1.0	-44.45	388.21	6.48	-37.97
CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1N1C=CC=C1	REAL300020190265	0	38	-1.0	-45.35	312.19	4.95	-40.40
CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1N1C=CC=C1	REAL300020190265	1	38	-1.0	-45.37	312.12	4.94	-40.43
O=C(NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CC=C1	REAL300020190266	0	44	-1.0	-48.12	361.75	5.58	-42.54
O=C(NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CC=C1	REAL300020190266	1	44	-1.0	-48.10	361.83	5.59	-42.51
COC1=CC(OC)=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020190267	0	42	-1.0	-43.31	343.36	2.68	-40.63
COC1=CC(OC)=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020190267	1	42	-1.0	-43.33	343.44	2.70	-40.63
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1OC	REAL300020190268	0	40	-1.0	-48.23	337.78	4.51	-43.72
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OC	REAL300020190268	1	40	-1.0	-48.19	337.85	4.51	-43.68
O=C(CCC1=NN=C(C2=CSC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190269	0	38	-1.0	-45.35	343.79	0.42	-44.93
O=C(CCC1=NN=C(C2=CSC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190269	1	38	-1.0	-45.33	343.87	0.44	-44.89
O=C(C1=CC([N+](=O)[O-])=CC=C1SC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190270	0	43	-1.0	-43.72	377.77	8.31	-35.41
O=C(C1=CC([N+](=O)[O-])=CC=C1SC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190270	1	43	-1.0	-43.72	377.84	8.32	-35.40
CC1=CC=C(C)C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190271	0	48	-1.0	-57.34	391.31	9.77	-47.57
CC1=CC=C(C)C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190271	1	48	-1.0	-57.35	391.38	9.79	-47.56
CN(C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1)S(C)(=O)=O	REAL300020190272	0	41	-1.0	-43.84	343.55	2.38	-41.46
CN(C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020190272	1	41	-1.0	-43.78	343.62	2.39	-41.39
CC(C)N1C=NN=C1SCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190273	0	39	-1.0	-45.88	339.50	5.83	-40.05
CC(C)N1C=NN=C1SCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190273	1	39	-1.0	-45.86	339.42	5.81	-40.05
O=C(CSC1=NN=NN1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190274	0	42	-1.0	-43.08	359.45	4.28	-38.80
O=C(CSC1=NN=NN1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190274	1	42	-1.0	-43.07	359.38	4.27	-38.80
O=C(CSC1=NN=NN1C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190275	0	36	-1.0	-43.99	325.93	3.03	-40.96
O=C(CSC1=NN=NN1C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190275	1	36	-1.0	-43.94	325.86	3.02	-40.92
CC1=NOC2=NC(C3=CC=C(C)C=C3)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190276	0	47	-1.0	-40.92	386.36	5.08	-35.84
CC1=NOC2=NC(C3=CC=C(C)C=C3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190276	1	47	-1.0	-40.93	386.28	5.07	-35.86
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020190277	0	35	-1.0	-43.72	300.64	2.43	-41.29
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020190277	1	35	-1.0	-43.72	300.57	2.42	-41.30
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190278	0	45	-1.0	-51.51	376.99	7.79	-43.72
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190278	1	45	-1.0	-51.51	377.07	7.81	-43.70
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020190279	0	48	-1.0	-52.27	393.71	8.30	-43.97
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020190279	1	48	-1.0	-52.25	393.78	8.30	-43.95
COC1=CC=C(C2=C(C)SC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020190280	0	44	-1.0	-44.43	370.82	6.36	-38.07
COC1=CC=C(C2=C(C)SC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020190280	1	44	-1.0	-44.42	370.89	6.37	-38.05
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190281	0	44	-1.0	-49.39	352.68	5.99	-43.40
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190281	1	44	-1.0	-49.44	352.75	6.00	-43.44
CCC1=NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2N=C1CC	REAL300020190282	0	46	-1.0	-44.04	363.54	4.39	-39.65
CCC1=NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2N=C1CC	REAL300020190282	1	46	-1.0	-44.07	363.62	4.40	-39.67
CSC1=CC=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190283	0	37	-1.0	-42.94	312.42	5.34	-37.60
CSC1=CC=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190283	1	37	-1.0	-42.98	312.50	5.34	-37.64
COC1=CC=CC=C1C=C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020190284	0	48	-1.0	-44.79	397.66	7.95	-36.84
COC1=CC=CC=C1C=C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020190284	1	48	-1.0	-44.82	397.74	7.95	-36.87
O=C(C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020190285	0	58	-1.0	-55.85	408.57	7.35	-48.50
O=C(C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020190285	1	58	-1.0	-55.84	408.65	7.37	-48.47
O=C(C(=CC1=CC=CC(Cl)=C1)C1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190286	0	41	-1.0	-41.52	361.24	7.78	-33.74
O=C(C(=CC1=CC=CC(Cl)=C1)C1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190286	1	41	-1.0	-41.51	361.31	7.80	-33.71
COC1=CC=C2C(=C1)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C(C)N2C1CC1	REAL300020190287	0	48	-1.0	-49.62	392.88	6.92	-42.70
COC1=CC=C2C(=C1)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C(C)N2C1CC1	REAL300020190287	1	48	-1.0	-49.64	392.96	6.94	-42.70
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190288	0	43	-2.0	-98.22	364.99	2.75	-95.47
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190288	1	43	-2.0	-98.26	365.06	2.75	-95.51
O=C(C1=C(C2=CC=CC=C2)C=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190289	0	37	-1.0	-44.73	313.16	5.71	-39.02
O=C(C1=C(C2=CC=CC=C2)C=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190289	1	37	-1.0	-44.74	313.24	5.72	-39.02
CC1=C2C(=CC=C1)SC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2Cl	REAL300020190290	0	36	-1.0	-43.33	316.46	6.10	-37.23
CC1=C2C(=CC=C1)SC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2Cl	REAL300020190290	1	36	-1.0	-43.33	316.54	6.12	-37.21
O=C(C1=CC=CC=C1S(=O)(=O)N1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190291	0	48	-1.0	-48.44	361.55	5.07	-43.37
O=C(C1=CC=CC=C1S(=O)(=O)N1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190291	1	48	-1.0	-48.47	361.58	5.09	-43.38
O=C(C1C2CC3CC(C2)CC1C3)N1CCC(C2=N[N-]N=N2)C1	REAL300020190292	0	44	-1.0	-41.96	313.12	5.87	-36.09
O=C(C1C2CC3CC(C2)CC1C3)N1CCC(C2=NN=N[N-]2)C1	REAL300020190292	1	44	-1.0	-41.92	313.20	5.88	-36.04
CC1=CC=C(C)N1C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020190293	0	41	-1.0	-47.96	346.12	6.63	-41.33
CC1=CC=C(C)N1C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020190293	1	41	-1.0	-47.99	346.19	6.63	-41.36
CN1C2=CC=CC=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020190294	0	47	-1.0	-48.36	387.71	8.89	-39.47
CN1C2=CC=CC=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020190294	1	47	-1.0	-48.38	387.78	8.89	-39.49
CC1=CC=CC=C1OCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190295	0	43	-1.0	-46.83	352.17	5.92	-40.91
CC1=CC=CC=C1OCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190295	1	43	-1.0	-46.82	352.25	5.93	-40.89
O=C(C1=CC=CN=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190296	0	36	-1.0	-51.44	306.15	4.53	-46.91
O=C(C1=CC=CN=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190296	1	36	-1.0	-51.44	306.07	4.53	-46.91
CC1=CN2C=C(CSCC(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020190297	0	43	-1.0	-52.95	373.51	7.27	-45.68
CC1=CN2C=C(CSCC(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020190297	1	43	-1.0	-52.98	373.59	7.29	-45.69
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190298	0	45	-1.0	-49.35	380.54	6.38	-42.97
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190298	1	45	-1.0	-49.35	380.47	6.38	-42.97
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=NN=CN1	REAL300020190299	0	35	-1.0	-46.00	305.58	6.12	-39.88
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=NN=CN1	REAL300020190299	1	35	-1.0	-45.99	305.65	6.13	-39.86
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=NC(C(F)(F)F)=NN1	REAL300020190300	0	38	-1.0	-40.69	347.44	6.04	-34.65
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=NC(C(F)(F)F)=NN1	REAL300020190300	1	38	-1.0	-40.68	347.51	6.04	-34.64
O=C(C1=CC=C(N2C=NC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190301	0	35	-1.0	-43.77	300.30	5.45	-38.32
O=C(C1=CC=C(N2C=NC=N2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190301	1	35	-1.0	-43.75	300.23	5.44	-38.31
O=C(CCCOC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190302	0	40	-1.0	-46.65	338.51	5.23	-41.42
O=C(CCCOC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190302	1	40	-1.0	-46.65	338.58	5.24	-41.41
O=C(C1=CC=CS1)N1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190303	0	44	-1.0	-54.95	357.38	6.10	-48.85
O=C(C1=CC=CS1)N1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190303	1	44	-1.0	-54.93	357.46	6.11	-48.82
O=C(C1=CC=CC=C1CCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190304	0	46	-1.0	-46.66	373.15	8.79	-37.87
O=C(C1=CC=CC=C1CCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190304	1	46	-1.0	-46.64	373.22	8.80	-37.84
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300020190305	0	37	-1.0	-44.36	321.58	6.16	-38.20
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300020190305	1	37	-1.0	-44.33	321.66	6.19	-38.14
CC1=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C)N=C2C=C1	REAL300020190306	0	41	-1.0	-43.75	335.08	5.35	-38.40
CC1=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C)N=C2C=C1	REAL300020190306	1	41	-1.0	-43.75	335.16	5.36	-38.39
O=C(C1=CC=CN=C1SC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190307	0	40	-1.0	-46.96	349.19	6.26	-40.70
O=C(C1=CC=CN=C1SC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190307	1	40	-1.0	-47.00	349.13	6.25	-40.75
O=C(C1CC2CCCC(C1)C2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190308	0	42	-1.0	-41.82	317.04	4.60	-37.22
O=C(C1CC2CCCC(C1)C2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190308	1	42	-1.0	-41.80	317.11	4.61	-37.19
O=C(CN1C(=S)NN=C1C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190309	0	40	-1.0	-49.50	366.48	6.95	-42.55
O=C(CN1C(=S)NN=C1C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190309	1	40	-1.0	-49.55	366.55	6.97	-42.58
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190309	1	39	-2.0	-96.44	363.06	6.79	-89.65
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190309	1	39	-2.0	-96.42	363.14	6.81	-89.61
CC1=CC=C(C2=NNC(=S)N2CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190310	0	43	-1.0	-50.16	371.18	7.11	-43.05
CC1=CC=C(C2=NNC(=S)N2CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190310	1	43	-1.0	-50.13	371.25	7.13	-43.00
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190310	1	42	-2.0	-100.69	367.74	6.95	-93.74
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190310	1	42	-2.0	-100.66	367.81	6.96	-93.70
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(C2=N[N-]N=N2)C1	REAL300020190311	0	38	-2.0	-96.90	340.91	4.86	-92.04
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(C2=NN=N[N-]2)C1	REAL300020190311	1	38	-2.0	-96.95	340.99	4.88	-92.07
O=C(CN1C(=O)C2=CC=CC=C2NC1=S)N1CCC(C2=N[N-]N=N2)C1	REAL300020190311	1	39	-1.0	-53.87	344.00	5.30	-48.57
O=C(CN1C(=O)C2=CC=CC=C2NC1=S)N1CCC(C2=NN=N[N-]2)C1	REAL300020190311	1	39	-1.0	-53.88	344.08	5.31	-48.57
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190312	0	42	-1.0	-43.43	346.95	5.21	-38.22
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190312	1	42	-1.0	-43.40	347.03	5.23	-38.17
O=C(C1=CC=CC=C1N1C=NN=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190313	0	35	-1.0	-58.33	298.88	4.14	-54.19
O=C(C1=CC=CC=C1N1C=NN=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190313	1	35	-1.0	-58.30	298.80	4.13	-54.17
O=C(C(CC1=CC=CC=C1)N1C=NN=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190314	0	41	-1.0	-39.42	345.54	5.44	-33.98
O=C(C(CC1=CC=CC=C1)N1C=NN=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190314	1	41	-1.0	-39.40	345.47	5.44	-33.96
CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C3=N[N-]N=N3)C1)C2=O	REAL300020190315	0	51	-1.0	-49.26	400.08	4.06	-45.20
CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C3=NN=N[N-]3)C1)C2=O	REAL300020190315	1	51	-1.0	-49.29	400.16	4.07	-45.22
CC1=NN(C)C2=NC(C3=CC=CC=C3)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190316	0	48	-1.0	-42.59	391.15	6.98	-35.61
CC1=NN(C)C2=NC(C3=CC=CC=C3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190316	1	48	-1.0	-42.54	391.07	6.97	-35.57
O=C(C1=CC=C(COC2=CC=C(F)C=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190317	0	41	-1.0	-43.39	355.50	5.58	-37.81
O=C(C1=CC=C(COC2=CC=C(F)C=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190317	1	41	-1.0	-43.41	355.58	5.58	-37.83
O=C(COC1=CC=C2OC3=C(CCCC3)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190318	0	47	-1.0	-50.44	380.59	7.71	-42.73
O=C(COC1=CC=C2OC3=C(CCCC3)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190318	1	47	-1.0	-50.43	380.67	7.71	-42.72
CN1C(=O)C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020190319	0	37	-1.0	-42.66	315.69	2.84	-39.82
CN1C(=O)C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020190319	1	37	-1.0	-42.66	315.76	2.84	-39.82
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020190320	0	44	-1.0	-42.22	338.87	5.90	-36.32
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020190320	1	44	-1.0	-42.22	338.94	5.91	-36.31
CCOC1=CC=C(OC(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190321	0	47	-1.0	-44.04	362.25	4.58	-39.46
CCOC1=CC=C(OC(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190321	1	47	-1.0	-44.04	362.33	4.59	-39.45
O=C(C1=CC=C(N2C=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190322	0	36	-1.0	-44.36	305.49	4.08	-40.28
O=C(C1=CC=C(N2C=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190322	1	36	-1.0	-44.39	305.42	4.08	-40.31
CC1=CC=C(S(=O)(=O)N(C)CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020190323	0	47	-1.0	-47.24	392.66	3.66	-43.58
CC1=CC=C(S(=O)(=O)N(C)CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020190323	1	47	-1.0	-47.28	392.73	3.68	-43.60
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020190324	0	33	-1.0	-41.51	299.35	3.54	-37.97
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020190324	1	33	-1.0	-41.51	299.42	3.55	-37.96
CN1N=CC2=C1N=CN(CCC(=O)N1CCC(C3=NN=N[N-]3)C1)C2=O	REAL300020190325	0	41	-1.0	-51.08	350.71	4.46	-46.62
CN1N=CC2=C1N=CN(CCC(=O)N1CCC(C3=N[N-]N=N3)C1)C2=O	REAL300020190325	1	41	-1.0	-51.11	350.64	4.45	-46.66
CC1=NN2C(=C1)N=CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2C	REAL300020190326	0	38	-1.0	-41.71	321.48	4.02	-37.69
CC1=NN2C(=C1)N=CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2C	REAL300020190326	1	38	-1.0	-41.70	321.54	4.03	-37.67
O=C(C1CC=CCC1C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190327	0	46	-1.0	-45.80	384.29	6.98	-38.82
O=C(C1CC=CCC1C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190327	1	46	-1.0	-45.81	384.36	6.99	-38.82
CN1C(=O)C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C2N(C)C1=O	REAL300020190328	0	41	-1.0	-41.59	338.25	3.24	-38.35
CN1C(=O)C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C2N(C)C1=O	REAL300020190328	1	41	-1.0	-41.59	338.32	3.24	-38.35
O=C(CCCNC(=O)NC1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190329	0	51	-1.0	-47.61	401.61	3.10	-44.51
O=C(CCCNC(=O)NC1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190329	1	51	-1.0	-47.56	401.69	3.11	-44.45
CC(C)C(NC(=O)NCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190330	0	51	-1.0	-41.01	405.36	3.90	-37.11
CC(C)C(NC(=O)NCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190330	1	51	-1.0	-41.01	405.44	3.90	-37.11
O=C(C1=CC=C2NC(=O)C(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190331	0	36	-1.0	-48.89	306.56	0.58	-48.31
O=C(C1=CC=C2NC(=O)C(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190331	1	36	-1.0	-48.90	306.63	0.58	-48.32
O=C(C1=CC(F)=C(F)C(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190332	0	30	-1.0	-40.34	278.68	3.96	-36.38
O=C(C1=CC(F)=C(F)C(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190332	1	30	-1.0	-40.36	278.75	3.97	-36.39
CC1CCC2=C(C1)SC=C2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190333	0	40	-1.0	-43.49	321.91	5.84	-37.65
CC1CCC2=C(C1)SC=C2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190333	1	40	-1.0	-43.52	321.98	5.85	-37.67
CCCCC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020190334	0	48	-1.0	-42.29	354.26	6.93	-35.36
CCCCC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020190334	1	48	-1.0	-42.31	354.33	6.94	-35.37
O=C(CC1(CC(=O)N2CCOCC2)CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190335	0	54	-1.0	-41.73	400.06	4.60	-37.13
O=C(CC1(CC(=O)N2CCOCC2)CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190335	1	54	-1.0	-41.71	400.14	4.61	-37.10
O=C(C1=CC=C(CN2C=CC=CC2=O)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190336	0	40	-1.0	-55.35	344.44	5.00	-50.35
O=C(C1=CC=C(CN2C=CC=CC2=O)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190336	1	40	-1.0	-55.35	344.52	5.02	-50.33
CC1=CC=C(SC2=NC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020190337	0	46	-1.0	-47.21	387.59	7.46	-39.75
CC1=CC=C(SC2=NC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020190337	1	46	-1.0	-47.25	387.52	7.45	-39.80
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CCC(=O)N1CCS2	REAL300020190338	0	36	-1.0	-46.55	300.50	2.24	-44.31
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CCC(=O)N1CCS2	REAL300020190338	1	36	-1.0	-46.56	300.57	2.24	-44.32
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190339	0	43	-1.0	-51.29	376.29	5.03	-46.26
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190339	1	43	-1.0	-51.25	376.21	5.02	-46.23
O=C(C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190340	0	44	-1.0	-43.36	367.26	6.55	-36.81
O=C(C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190340	1	44	-1.0	-43.40	367.33	6.57	-36.83
CC1=CC=C(C2=NNC(=S)N2CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190341	0	46	-1.0	-46.39	391.01	7.69	-38.70
CC1=CC=C(C2=NNC(=S)N2CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190341	1	46	-1.0	-46.40	391.08	7.70	-38.70
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190341	1	45	-2.0	-88.87	387.78	7.54	-81.33
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190341	1	45	-2.0	-88.84	387.86	7.55	-81.29
CCN1C(=O)C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300020190342	0	41	-2.0	-83.45	352.19	4.81	-78.64
CCN1C(=O)C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300020190342	1	41	-2.0	-83.47	352.26	4.82	-78.65
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190343	0	45	-1.0	-43.07	378.80	6.07	-37.00
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190343	1	45	-1.0	-43.03	378.87	6.08	-36.95
O=C(NC1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020190344	0	47	-1.0	-44.75	384.50	6.76	-37.99
O=C(NC1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020190344	1	47	-1.0	-44.77	384.56	6.77	-38.00
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190345	0	42	-1.0	-58.68	346.62	6.84	-51.84
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190345	1	42	-1.0	-58.67	346.69	6.84	-51.83
CN(C(=O)C1=CC=CS1)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190346	0	44	-1.0	-53.24	369.83	6.39	-46.85
CN(C(=O)C1=CC=CS1)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190346	1	44	-1.0	-53.21	369.89	6.39	-46.82
O=C(CC1=CC=CC2=CC=CN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020190347	0	38	-1.0	-48.83	320.81	5.30	-43.53
O=C(CC1=CC=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020190347	1	38	-1.0	-48.83	320.74	5.29	-43.54
O=C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190348	0	42	-1.0	-49.52	372.32	7.64	-41.88
O=C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190348	1	42	-1.0	-49.54	372.42	7.65	-41.89
CC1=CC=C(SC2=NC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020190349	0	46	-1.0	-47.07	389.11	7.49	-39.58
CC1=CC=C(SC2=NC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020190349	1	46	-1.0	-47.01	389.04	7.49	-39.52
O=C(COC1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190350	0	42	-1.0	-50.06	349.49	3.88	-46.18
O=C(COC1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190350	1	42	-1.0	-50.10	349.56	3.88	-46.22
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=C(C(C)C)C=C1	REAL300020190351	0	53	-1.0	-44.68	416.53	9.58	-35.10
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=C(C(C)C)C=C1	REAL300020190351	1	53	-1.0	-44.67	416.60	9.58	-35.09
CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190352	0	52	-1.0	-41.81	409.36	5.48	-36.33
CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190352	1	52	-1.0	-41.86	409.43	5.50	-36.36
CC1OC2=CC=CC=C2OC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190353	0	39	-1.0	-48.83	309.90	4.68	-44.15
CC1OC2=CC=CC=C2OC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190353	1	39	-1.0	-48.83	309.97	4.69	-44.14
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020190354	0	35	-1.0	-47.16	305.44	3.97	-43.19
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020190354	1	35	-1.0	-47.18	305.51	3.97	-43.21
CC(C)C1=CC=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020190355	0	43	-1.0	-41.88	344.37	6.02	-35.86
CC(C)C1=CC=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020190355	1	43	-1.0	-41.94	344.44	6.02	-35.92
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=C2F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190356	0	40	-1.0	-47.34	348.04	5.63	-41.71
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=C2F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190356	1	40	-1.0	-47.33	347.96	5.63	-41.70
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Br)=C2)CC1	REAL300020190357	0	37	-1.0	-46.79	326.38	6.27	-40.52
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Br)=C2)CC1	REAL300020190357	1	37	-1.0	-46.78	326.46	6.27	-40.51
CC(OC1=CC=CC(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190358	0	37	-1.0	-38.36	309.52	5.13	-33.23
CC(OC1=CC=CC(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190358	1	37	-1.0	-38.40	309.60	5.14	-33.26
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190359	0	35	-1.0	-40.41	306.74	3.54	-36.87
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190359	1	35	-1.0	-40.41	306.81	3.55	-36.86
CC1=CC=C(C(=O)CCC(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020190360	0	46	-1.0	-45.24	400.04	6.80	-38.44
CC1=CC=C(C(=O)CCC(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020190360	1	46	-1.0	-45.25	400.11	6.81	-38.44
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(C2=N[N-]N=N2)C1	REAL300020190361	0	41	-2.0	-89.25	361.46	5.36	-83.89
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCC(C2=NN=N[N-]2)C1	REAL300020190361	1	41	-2.0	-89.25	361.54	5.36	-83.89
O=C(CCN1C(=O)C2=CC=CC=C2NC1=S)N1CCC(C2=N[N-]N=N2)C1	REAL300020190361	1	42	-1.0	-51.78	364.64	5.79	-45.99
O=C(CCN1C(=O)C2=CC=CC=C2NC1=S)N1CCC(C2=NN=N[N-]2)C1	REAL300020190361	1	42	-1.0	-51.83	364.72	5.79	-46.04
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190362	0	38	-1.0	-41.51	330.00	5.20	-36.31
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190362	1	38	-1.0	-41.51	330.07	5.20	-36.31
O=C(CCCOC1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190363	0	48	-1.0	-50.40	391.95	4.35	-46.05
O=C(CCCOC1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190363	1	48	-1.0	-50.40	392.02	4.36	-46.04
COC1=CC=C(C2=NN=C(SCC(=O)N3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020190364	0	43	-1.0	-44.50	383.32	0.62	-43.88
COC1=CC=C(C2=NN=C(SCC(=O)N3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020190364	1	43	-1.0	-44.52	383.40	0.63	-43.89
CN(C)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190365	0	42	-1.0	-45.10	341.11	5.62	-39.48
CN(C)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190365	1	42	-1.0	-45.15	341.18	5.63	-39.52
CC1=CC=C2C(=O)N(C(C)C(=O)N3CCC(C4=N[N-]N=N4)C3)C(=O)C2=C1	REAL300020190366	0	43	-1.0	-50.67	357.99	5.99	-44.68
CC1=CC=C2C(=O)N(C(C)C(=O)N3CCC(C4=NN=N[N-]4)C3)C(=O)C2=C1	REAL300020190366	1	43	-1.0	-50.74	358.07	5.99	-44.75
O=C(CCN1C(=O)C2=CC=CC=C2S1(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190367	0	41	-1.0	-50.93	363.70	1.46	-49.47
O=C(CCN1C(=O)C2=CC=CC=C2S1(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190367	1	41	-1.0	-50.93	363.77	1.46	-49.47
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C2C=NN(CC3=CC=CS3)C2=N1	REAL300020190368	0	45	-1.0	-44.04	391.55	6.41	-37.63
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C2C=NN(CC3=CC=CS3)C2=N1	REAL300020190368	1	45	-1.0	-44.02	391.62	6.41	-37.61
O=C(C=CC1=CC=C(C2=CC=C(Cl)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190369	0	41	-1.0	-43.80	374.74	8.53	-35.27
O=C(C=CC1=CC=C(C2=CC=C(Cl)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190369	1	41	-1.0	-43.80	374.81	8.55	-35.25
O=C(C1=CC=CN1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190370	0	41	-1.0	-45.18	331.91	7.00	-38.18
O=C(C1=CC=CN1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190370	1	41	-1.0	-45.16	331.98	7.01	-38.15
O=C(C1=CSC(COC2=CC=C(F)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190371	0	40	-1.0	-44.71	358.16	4.82	-39.89
O=C(C1=CSC(COC2=CC=C(F)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190371	1	40	-1.0	-44.76	358.23	4.82	-39.94
NC(=O)C1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020190372	0	43	-1.0	-47.74	358.82	1.37	-46.37
NC(=O)C1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020190372	1	43	-1.0	-47.76	358.90	1.39	-46.37
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1NS(C)(=O)=O	REAL300020190373	0	41	-1.0	-54.64	340.96	1.04	-53.60
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1NS(C)(=O)=O	REAL300020190373	1	41	-1.0	-54.68	341.04	1.05	-53.63
CC1=NOC(C)=C1CSC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190374	0	46	-1.0	-49.80	390.38	7.36	-42.44
CC1=NOC(C)=C1CSC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190374	1	46	-1.0	-49.75	390.46	7.37	-42.38
CC(C)N(C)S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190375	0	47	-1.0	-46.87	392.92	3.20	-43.67
CC(C)N(C)S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190375	1	47	-1.0	-46.85	392.99	3.20	-43.65
O=C(COC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190376	0	44	-1.0	-50.20	376.35	5.05	-45.15
O=C(COC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190376	1	44	-1.0	-50.17	376.28	5.04	-45.13
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC(C)=CC=C1	REAL300020190377	0	43	-1.0	-44.69	348.84	5.91	-38.78
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC(C)=CC=C1	REAL300020190377	1	43	-1.0	-44.67	348.91	5.93	-38.74
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCCC1	REAL300020190378	0	43	-1.0	-43.55	324.67	6.27	-37.28
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCCC1	REAL300020190378	1	43	-1.0	-43.59	324.74	6.28	-37.31
CC1=CC=C(N2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C(F)(F)F)C=C1	REAL300020190379	0	43	-1.0	-45.24	361.60	6.13	-39.11
CC1=CC=C(N2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C(F)(F)F)C=C1	REAL300020190379	1	43	-1.0	-45.25	361.53	6.11	-39.14
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300020190380	0	46	-1.0	-41.12	363.65	7.31	-33.81
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300020190380	1	46	-1.0	-41.11	363.73	7.33	-33.78
CC1=NN(C2=NC(C)=CC(C)=N2)C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190381	0	50	-1.0	-56.43	411.28	8.42	-48.01
CC1=NN(C2=NC(C)=CC(C)=N2)C(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190381	1	50	-1.0	-56.43	411.36	8.43	-48.00
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=N1	REAL300020190382	0	39	-1.0	-47.12	321.95	5.03	-42.09
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=N1	REAL300020190382	1	39	-1.0	-47.10	321.88	5.01	-42.09
O=C(C1=CN(C2=CC=CC=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190383	0	36	-1.0	-43.06	310.28	3.91	-39.15
O=C(C1=CN(C2=CC=CC=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190383	1	36	-1.0	-43.10	310.21	3.89	-39.21
O=C(C1=C(C2=CC=CC=C2)N=C(C2=CC=CO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190384	0	43	-1.0	-46.48	374.03	6.25	-40.23
O=C(C1=C(C2=CC=CC=C2)N=C(C2=CC=CO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190384	1	43	-1.0	-46.45	373.96	6.24	-40.21
O=C(C1=C(N2C=CC=C2)N(C2=CC=C(F)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190385	0	45	-1.0	-43.78	372.89	8.46	-35.32
O=C(C1=C(N2C=CC=C2)N(C2=CC=C(F)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190385	1	45	-1.0	-43.80	372.81	8.46	-35.34
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CCC(=O)N1C1=CC=CC=C1S2	REAL300020190386	0	40	-1.0	-42.76	338.57	4.94	-37.82
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CCC(=O)N1C1=CC=CC=C1S2	REAL300020190386	1	40	-1.0	-42.80	338.65	4.95	-37.85
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(F)=C2)CCCC1	REAL300020190387	0	43	-1.0	-46.30	330.99	6.36	-39.94
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(F)=C2)CCCC1	REAL300020190387	1	43	-1.0	-46.34	331.06	6.37	-39.97
CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190388	0	47	-1.0	-53.53	368.45	4.31	-49.22
CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190388	1	47	-1.0	-53.63	368.52	4.32	-49.31
CCS(=O)(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190389	0	41	-1.0	-47.66	344.89	1.19	-46.47
CCS(=O)(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190389	1	41	-1.0	-47.66	344.96	1.20	-46.46
CC(C)C1=CC=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020190390	0	45	-1.0	-42.51	380.15	7.18	-35.33
CC(C)C1=CC=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020190390	1	45	-1.0	-42.51	380.08	7.17	-35.34
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020190391	0	43	-1.0	-44.33	348.83	5.92	-38.41
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020190391	1	43	-1.0	-44.37	348.91	5.94	-38.43
CCCS(=O)(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190392	0	44	-1.0	-47.50	366.39	1.98	-45.52
CCCS(=O)(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190392	1	44	-1.0	-47.46	366.46	1.99	-45.47
COC1=CC=CC(C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N2N=NN=C2C)=C1	REAL300020190393	0	46	-1.0	-42.54	375.41	4.54	-38.00
COC1=CC=CC(C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N2N=NN=C2C)=C1	REAL300020190393	1	46	-1.0	-42.51	375.48	4.55	-37.96
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300020190394	0	43	-1.0	-45.08	366.49	6.26	-38.82
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300020190394	1	43	-1.0	-45.06	366.56	6.27	-38.79
O=C(CSCC(=O)N1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190395	0	44	-1.0	-54.44	362.40	4.73	-49.71
O=C(CSCC(=O)N1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190395	1	44	-1.0	-54.45	362.47	4.74	-49.71
O=C(C1=CC=CC=C1SC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190396	0	34	-1.0	-43.24	307.97	5.15	-38.09
O=C(C1=CC=CC=C1SC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190396	1	34	-1.0	-43.20	308.05	5.17	-38.03
O=C(CCC1=NC(C2=CC=CO2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190397	0	38	-1.0	-46.59	334.57	2.24	-44.35
O=C(CCC1=NC(C2=CC=CO2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190397	1	38	-1.0	-46.62	334.50	2.24	-44.38
O=C(CN1N=NC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190398	0	38	-1.0	-51.82	332.42	3.74	-48.08
O=C(CN1N=NC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190398	1	38	-1.0	-51.75	332.49	3.75	-48.00
O=C(C=CC1=CC=C(C2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190399	0	41	-1.0	-44.88	367.40	8.16	-36.72
O=C(C=CC1=CC=C(C2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190399	1	41	-1.0	-44.85	367.47	8.18	-36.67
O=C(CSC1=CC=CC=[N+]1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020190400	0	34	-1.0	-67.56	305.22	3.76	-63.80
O=C(CSC1=CC=CC=[N+]1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020190400	1	34	-1.0	-67.57	305.29	3.76	-63.81
O=C(C1=CC=CC=C1CSC1=NCCS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190401	0	42	-1.0	-47.33	367.53	4.82	-42.51
O=C(C1=CC=CC=C1CSC1=NCCS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190401	1	42	-1.0	-47.30	367.61	4.82	-42.48
CC1=CSC(SCC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020190402	0	43	-1.0	-47.83	379.08	6.22	-41.61
CC1=CSC(SCC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020190402	1	43	-1.0	-47.80	379.15	6.23	-41.57
COCCN1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020190403	0	41	-1.0	-47.24	334.57	1.60	-45.64
COCCN1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020190403	1	41	-1.0	-47.23	334.65	1.61	-45.62
COC1=CC=C(C2=NNC(=S)N2CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190404	0	44	-1.0	-51.80	378.85	5.74	-46.06
COC1=CC=C(C2=NNC(=S)N2CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190404	1	44	-1.0	-51.82	378.93	5.75	-46.07
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190404	1	43	-2.0	-100.28	375.77	5.59	-94.69
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190404	1	43	-2.0	-100.24	375.84	5.60	-94.64
CC1=CC=CC(C2=NNC(=S)N2CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190405	0	43	-1.0	-51.74	370.83	7.09	-44.65
CC1=CC=CC(C2=NNC(=S)N2CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190405	1	43	-1.0	-51.74	370.90	7.10	-44.64
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190405	1	42	-2.0	-103.66	367.74	6.95	-96.71
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190405	1	42	-2.0	-103.66	367.81	6.96	-96.70
O=C(CN1C(=O)C2=CC=CC=C2S1(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190406	0	38	-1.0	-57.22	342.67	0.90	-56.32
O=C(CN1C(=O)C2=CC=CC=C2S1(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190406	1	38	-1.0	-57.24	342.74	0.92	-56.32
O=C(CN1N=NC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190407	0	38	-1.0	-49.73	349.14	4.26	-45.47
O=C(CN1N=NC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190407	1	38	-1.0	-49.76	349.22	4.27	-45.49
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300020190408	0	40	-1.0	-44.54	362.96	3.71	-40.83
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300020190408	1	40	-1.0	-44.54	363.03	3.72	-40.82
CC(C)C1CCC(C)CC1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190409	0	52	-1.0	-45.69	389.77	7.09	-38.60
CC(C)C1CCC(C)CC1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190409	1	52	-1.0	-45.72	389.85	7.11	-38.61
CN(C(=O)CSCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020190410	0	50	-1.0	-54.99	400.58	6.03	-48.96
CN(C(=O)CSCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020190410	1	50	-1.0	-55.04	400.66	6.05	-48.99
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020190411	0	35	-1.0	-42.16	304.65	3.40	-38.76
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020190411	1	35	-1.0	-42.16	304.58	3.40	-38.76
CC(C)C(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020190412	0	46	-1.0	-40.22	355.33	4.26	-35.96
CC(C)C(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020190412	1	46	-1.0	-40.27	355.40	4.28	-35.99
O=C(C1=CC2=C(NC(=O)C=C2C(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190413	0	36	-1.0	-40.45	327.76	1.72	-38.73
O=C(C1=CC2=C(NC(=O)C=C2C(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190413	1	36	-1.0	-40.44	327.83	1.74	-38.70
CC1=CC=CC(C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190414	0	43	-1.0	-45.73	352.95	7.84	-37.89
CC1=CC=CC(C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190414	1	43	-1.0	-45.70	353.03	7.85	-37.85
O=C(C1CSC(CC2=CC=CC=C2F)C(=O)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190415	0	45	-1.0	-45.01	375.73	4.49	-40.52
O=C(C1CSC(CC2=CC=CC=C2F)C(=O)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190415	1	45	-1.0	-45.03	375.80	4.51	-40.52
O=C(C1=CN=C2C(=C1)C(=O)NC(=O)N2C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190416	0	42	-1.0	-41.75	348.88	2.77	-38.98
O=C(C1=CN=C2C(=C1)C(=O)NC(=O)N2C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190416	1	42	-1.0	-41.77	348.95	2.78	-38.99
CC1=NN(CCC#N)C(C)=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190417	0	46	-1.0	-48.28	385.69	5.68	-42.60
CC1=NN(CCC#N)C(C)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190417	1	46	-1.0	-48.31	385.76	5.68	-42.63
CSCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190418	0	50	-1.0	-37.45	402.66	3.34	-34.11
CSCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190418	1	50	-1.0	-37.46	402.74	3.36	-34.10
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190419	0	49	-1.0	-40.24	370.66	2.51	-37.73
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190419	1	49	-1.0	-40.21	370.73	2.52	-37.69
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190420	0	52	-1.0	-41.25	393.47	3.88	-37.37
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190420	1	52	-1.0	-41.23	393.55	3.89	-37.34
O=C(CN1C=CC=C(C(F)(F)F)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190421	0	36	-1.0	-56.33	322.67	4.35	-51.98
O=C(CN1C=CC=C(C(F)(F)F)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190421	1	36	-1.0	-56.33	322.75	4.36	-51.97
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Br)C=C2)CCC1	REAL300020190422	0	40	-1.0	-43.14	335.30	6.53	-36.61
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Br)C=C2)CCC1	REAL300020190422	1	40	-1.0	-43.14	335.38	6.55	-36.59
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Br)C=C2)CCCC1	REAL300020190423	0	43	-1.0	-42.07	345.96	6.91	-35.16
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Br)C=C2)CCCC1	REAL300020190423	1	43	-1.0	-42.06	346.04	6.92	-35.14
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CS2)O1	REAL300020190424	0	39	-1.0	-51.31	349.07	2.86	-48.45
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CS2)O1	REAL300020190424	1	39	-1.0	-51.30	348.99	2.85	-48.45
O=C(C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190425	0	34	-1.0	-39.97	306.43	4.89	-35.08
O=C(C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190425	1	34	-1.0	-39.93	306.51	4.90	-35.03
CC(C)(C)C1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(C)(C)C)=C1	REAL300020190426	0	58	-1.0	-45.09	436.98	9.54	-35.55
CC(C)(C)C1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(C)(C)C)=C1	REAL300020190426	1	58	-1.0	-45.10	437.05	9.55	-35.55
CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190427	0	43	-1.0	-41.72	343.93	1.54	-40.18
CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190427	1	43	-1.0	-41.70	344.00	1.56	-40.14
O=C(NC1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190428	0	34	-1.0	-37.68	306.96	2.81	-34.87
O=C(NC1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190428	1	34	-1.0	-37.69	307.04	2.82	-34.87
O=C(C1CC(=O)N(C2=CC=C(F)C=C2F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190429	0	41	-1.0	-56.96	350.98	5.28	-51.68
O=C(C1CC(=O)N(C2=CC=C(F)C=C2F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190429	1	41	-1.0	-57.01	351.06	5.29	-51.72
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020190430	0	45	-1.0	-57.17	385.52	4.00	-53.17
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020190430	1	45	-1.0	-57.17	385.59	4.00	-53.17
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CO2)S1	REAL300020190431	0	36	-1.0	-44.55	319.48	4.11	-40.44
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CO2)S1	REAL300020190431	1	36	-1.0	-44.61	319.40	4.10	-40.51
O=C(C1=NOC(C2=CC=CS2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190432	0	33	-1.0	-40.77	303.87	4.38	-36.39
O=C(C1=NOC(C2=CC=CS2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190432	1	33	-1.0	-40.75	303.79	4.37	-36.38
CCC1=CC=CC=C1N1C=NN=C1SCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190433	0	46	-1.0	-45.57	394.38	8.96	-36.61
CCC1=CC=CC=C1N1C=NN=C1SCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190433	1	46	-1.0	-45.55	394.30	8.95	-36.60
O=C(CSCC1=CC(=O)N2C=CSC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190434	0	39	-1.0	-54.58	361.78	5.17	-49.41
O=C(CSCC1=CC(=O)N2C=CSC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190434	1	39	-1.0	-54.55	361.86	5.18	-49.37
O=C(NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1)NC1=CC=CC=C1	REAL300020190435	0	43	-1.0	-48.49	368.98	4.10	-44.39
O=C(NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1)NC1=CC=CC=C1	REAL300020190435	1	43	-1.0	-48.50	369.05	4.11	-44.39
O=C(CN1N=C2CCCCCN2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190436	0	43	-1.0	-54.34	348.20	4.81	-49.53
O=C(CN1N=C2CCCCCN2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190436	1	43	-1.0	-54.30	348.27	4.81	-49.49
CC1=NOC(CSC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020190437	0	42	-1.0	-50.97	364.68	4.16	-46.81
CC1=NOC(CSC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020190437	1	42	-1.0	-50.95	364.75	4.18	-46.77
CN1C(=O)CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020190438	0	41	-1.0	-51.80	333.14	4.64	-47.16
CN1C(=O)CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020190438	1	41	-1.0	-51.75	333.21	4.65	-47.10
CC1=CC=C(N2C=NN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190439	0	43	-1.0	-46.06	377.76	8.45	-37.61
CC1=CC=C(N2C=NN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190439	1	43	-1.0	-46.08	377.69	8.44	-37.64
COC1=CC=C(N2C=NN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190440	0	44	-1.0	-46.30	385.83	7.07	-39.23
COC1=CC=C(N2C=NN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190440	1	44	-1.0	-46.28	385.75	7.05	-39.23
CC(C)C1=CC=C(N2C=NN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190441	0	49	-1.0	-45.59	416.53	9.70	-35.89
CC(C)C1=CC=C(N2C=NN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190441	1	49	-1.0	-45.63	416.45	9.68	-35.95
O=C(CSC1=NN=CN1C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190442	0	40	-1.0	-44.89	373.07	8.29	-36.60
O=C(CSC1=NN=CN1C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190442	1	40	-1.0	-44.88	372.99	8.27	-36.61
CC1=NN(C)C2=NC(C3=CC=CS3)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190443	0	45	-1.0	-42.82	383.85	6.02	-36.80
CC1=NN(C)C2=NC(C3=CC=CS3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190443	1	45	-1.0	-42.81	383.76	6.00	-36.81
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1OCC1=CC=CN=C1	REAL300020190444	0	49	-1.0	-44.49	404.18	6.86	-37.63
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C)=C1OCC1=CC=CN=C1	REAL300020190444	1	49	-1.0	-44.46	404.10	6.85	-37.61
CC1=NN=NN1C(=CC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190445	0	42	-1.0	-43.65	353.36	5.28	-38.37
CC1=NN=NN1C(=CC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190445	1	42	-1.0	-43.64	353.43	5.30	-38.34
O=C(C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190446	0	49	-1.0	-41.70	401.58	8.47	-33.23
O=C(C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190446	1	49	-1.0	-41.70	401.65	8.49	-33.21
CCOC1=CC=C(C=C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190447	0	42	-1.0	-40.99	351.23	5.12	-35.87
CCOC1=CC=C(C=C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190447	1	42	-1.0	-41.00	351.30	5.14	-35.86
CCCN1C(C)=CC(C=C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020190448	0	48	-1.0	-44.78	388.12	7.16	-37.62
CCCN1C(C)=CC(C=C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020190448	1	48	-1.0	-44.79	388.19	7.17	-37.62
CC1=CC(C=C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1CCC(C)C	REAL300020190449	0	54	-1.0	-44.54	427.21	8.45	-36.09
CC1=CC(C=C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1CCC(C)C	REAL300020190449	1	54	-1.0	-44.54	427.29	8.47	-36.07
CCCCN1C(C)=CC(C=C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020190450	0	51	-1.0	-44.73	409.66	7.94	-36.79
CCCCN1C(C)=CC(C=C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020190450	1	51	-1.0	-44.76	409.74	7.95	-36.81
CC1=CC(C=C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1CC1CCCO1	REAL300020190451	0	53	-1.0	-46.67	419.48	6.91	-39.76
CC1=CC(C=C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1CC1CCCO1	REAL300020190451	1	53	-1.0	-46.66	419.55	6.92	-39.74
CC1=CC(C=C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1CCCCC1	REAL300020190452	0	55	-1.0	-43.85	418.59	8.54	-35.31
CC1=CC(C=C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1CCCCC1	REAL300020190452	1	55	-1.0	-43.84	418.66	8.55	-35.29
COCC(C)N1C(C)=CC(C=C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020190453	0	52	-1.0	-44.12	409.85	5.79	-38.33
COCC(C)N1C(C)=CC(C=C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020190453	1	52	-1.0	-44.16	409.92	5.80	-38.36
COC1=CC=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020190454	0	38	-1.0	-42.96	313.75	3.40	-39.56
COC1=CC=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020190454	1	38	-1.0	-42.99	313.82	3.41	-39.58
O=C(C1=CC2=CC(Cl)=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190455	0	34	-1.0	-41.55	301.02	4.62	-36.93
O=C(C1=CC2=CC(Cl)=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190455	1	34	-1.0	-41.53	301.10	4.63	-36.90
O=C(C1=CC2=CC=CC=C2C=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190456	0	37	-1.0	-46.27	310.45	4.07	-42.20
O=C(C1=CC2=CC=CC=C2C=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190456	1	37	-1.0	-46.32	310.52	4.08	-42.24
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190457	0	50	-1.0	-49.23	402.52	5.02	-44.21
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190457	1	50	-1.0	-49.28	402.60	5.03	-44.25
CN1N=CC2=C1N=C(CCC(=O)N1CCC(C3=N[N-]N=N3)C1)NC2=O	REAL300020190458	0	41	-1.0	-48.18	349.93	2.78	-45.40
CN1N=CC2=C1N=C(CCC(=O)N1CCC(C3=NN=N[N-]3)C1)NC2=O	REAL300020190458	1	41	-1.0	-48.21	350.00	2.79	-45.42
NC(=O)C1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(F)C=C1	REAL300020190459	0	43	-1.0	-47.37	365.60	1.46	-45.91
NC(=O)C1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(F)C=C1	REAL300020190459	1	43	-1.0	-47.37	365.68	1.48	-45.89
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Br)=C2)CCCC1	REAL300020190460	0	43	-1.0	-40.92	345.89	6.93	-33.99
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Br)=C2)CCCC1	REAL300020190460	1	43	-1.0	-40.93	345.97	6.94	-33.99
O=C(C1=CC=CC=C1)N1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190461	0	47	-1.0	-50.90	364.94	6.86	-44.04
O=C(C1=CC=CC=C1)N1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190461	1	47	-1.0	-50.90	365.01	6.87	-44.03
O=C(C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020190462	0	45	-2.0	-99.58	382.73	1.63	-97.95
O=C(C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020190462	1	45	-2.0	-99.59	382.81	1.64	-97.95
O=C(C1=CC(S(=O)(=O)N2CCCC2)=CC=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190462	1	46	-1.0	-46.93	386.23	0.76	-46.17
O=C(C1=CC(S(=O)(=O)N2CCCC2)=CC=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190462	1	46	-1.0	-46.91	386.30	0.77	-46.14
O=C(C1=CC(Br)=CC=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190463	0	31	-1.0	-43.79	285.63	2.25	-41.54
O=C(C1=CC(Br)=CC=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190463	1	31	-1.0	-43.84	285.70	2.27	-41.57
O=C(C1=CC(Br)=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020190463	1	30	-2.0	-93.89	281.89	3.28	-90.61
O=C(C1=CC(Br)=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020190463	1	30	-2.0	-93.84	281.97	3.28	-90.56
CC1=CC=CC=C1NCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190464	0	41	-1.0	-44.63	333.57	4.48	-40.15
CC1=CC=CC=C1NCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190464	1	41	-1.0	-44.63	333.65	4.50	-40.13
O=C(C1=CC(Cl)=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020190465	0	30	-1.0	-41.16	289.34	4.84	-36.32
O=C(C1=CC(Cl)=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020190465	1	30	-1.0	-41.17	289.41	4.85	-36.32
O=C(C1=CSC(C2=CC=CO2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190466	0	33	-1.0	-44.97	302.51	3.29	-41.68
O=C(C1=CSC(C2=CC=CO2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190466	1	33	-1.0	-44.99	302.44	3.29	-41.70
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Br)=C1O	REAL300020190467	0	39	-1.0	-44.70	350.46	3.07	-41.63
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Br)=C1O	REAL300020190467	1	39	-1.0	-44.67	350.53	3.07	-41.60
CC(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(O)C(C(C)C)=C1	REAL300020190468	0	49	-1.0	-43.10	382.86	5.66	-37.44
CC(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(O)C(C(C)C)=C1	REAL300020190468	1	49	-1.0	-43.10	382.94	5.66	-37.44
CC1=CC(C)=C2C(=C1)SC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2Cl	REAL300020190469	0	39	-1.0	-42.88	337.84	6.75	-36.13
CC1=CC(C)=C2C(=C1)SC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2Cl	REAL300020190469	1	39	-1.0	-42.89	337.92	6.76	-36.13
O=C(C1=C(O)C2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190470	0	37	-1.0	-46.88	309.46	3.98	-42.90
O=C(C1=C(O)C2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190470	1	37	-1.0	-46.87	309.54	3.99	-42.88
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190470	1	36	-2.0	-104.36	305.89	4.86	-99.50
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190470	1	36	-2.0	-104.37	305.96	4.86	-99.51
CC(C)(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(O)C(C(C)(C)C)=C1	REAL300020190471	0	55	-1.0	-44.26	410.01	6.78	-37.48
CC(C)(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(O)C(C(C)(C)C)=C1	REAL300020190471	1	55	-1.0	-44.28	410.08	6.79	-37.49
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190472	0	32	-2.0	-82.17	283.47	3.27	-78.90
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190472	1	32	-2.0	-82.20	283.55	3.29	-78.91
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C(C)C1=CC=CC=C1	REAL300020190473	0	50	-1.0	-46.55	381.84	8.53	-38.02
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C(C)C1=CC=CC=C1	REAL300020190473	1	50	-1.0	-46.55	381.92	8.53	-38.02
O=C(C1=CC=C(F)C=C1)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190474	0	42	-1.0	-49.84	362.00	7.19	-42.65
O=C(C1=CC=C(F)C=C1)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190474	1	42	-1.0	-49.85	362.07	7.20	-42.65
CC(OC1=CC=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190475	0	37	-1.0	-50.62	309.62	5.16	-45.46
CC(OC1=CC=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190475	1	37	-1.0	-50.62	309.70	5.16	-45.46
O=C(COC1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190476	0	34	-1.0	-45.11	312.24	5.26	-39.85
O=C(COC1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190476	1	34	-1.0	-45.14	312.31	5.26	-39.88
CNC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190477	0	41	-1.0	-49.95	346.29	3.52	-46.43
CNC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190477	1	41	-1.0	-49.98	346.37	3.53	-46.45
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300020190478	0	49	-1.0	-44.32	369.13	5.45	-38.87
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300020190478	1	49	-1.0	-44.34	369.20	5.46	-38.88
O=C(C=CC1=CC=C(OCC2=CC=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190479	0	47	-1.0	-47.51	395.97	6.74	-40.77
O=C(C=CC1=CC=C(OCC2=CC=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190479	1	47	-1.0	-47.53	395.90	6.73	-40.80
O=C(C1=C(N2C=CC=C2)N(C2=CC=CC=C2F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190480	0	45	-1.0	-47.93	378.84	8.73	-39.20
O=C(C1=C(N2C=CC=C2)N(C2=CC=CC=C2F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190480	1	45	-1.0	-47.94	378.76	8.73	-39.21
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020190481	0	46	-1.0	-43.34	357.83	6.39	-36.95
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020190481	1	46	-1.0	-43.31	357.90	6.39	-36.92
O=C(C1=CC=C(N2C=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190482	0	37	-1.0	-46.28	305.83	5.94	-40.34
O=C(C1=CC=C(N2C=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190482	1	37	-1.0	-46.30	305.91	5.96	-40.34
CSC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190483	0	42	-1.0	-42.10	363.86	5.25	-36.85
CSC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190483	1	42	-1.0	-42.12	363.94	5.26	-36.86
CSC1=NC(C2=CC=CO2)=NC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190484	0	42	-1.0	-44.33	373.80	4.68	-39.65
CSC1=NC(C2=CC=CO2)=NC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190484	1	42	-1.0	-44.30	373.72	4.67	-39.63
CSC1=NC(C(C)C)=NC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190485	0	44	-1.0	-41.66	374.82	4.77	-36.89
CSC1=NC(C(C)C)=NC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190485	1	44	-1.0	-41.71	374.90	4.77	-36.94
CCOC1=CC=C(C2=NC(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020190486	0	46	-1.0	-50.12	395.78	5.97	-44.15
CCOC1=CC=C(C2=NC(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020190486	1	46	-1.0	-50.06	395.71	5.96	-44.10
O=C(C1CCN(C2=NN3C=NN=C3C=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190487	0	46	-1.0	-53.26	369.44	6.92	-46.34
O=C(C1CCN(C2=NN3C=NN=C3C=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190487	1	46	-1.0	-53.24	369.36	6.91	-46.33
O=C(CCC1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190488	0	48	-1.0	-47.91	411.13	3.43	-44.48
O=C(CCC1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190488	1	48	-1.0	-47.94	411.20	3.44	-44.50
NS(=O)(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020190489	0	40	-1.0	-41.64	329.30	-2.08	-43.72
NS(=O)(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020190489	1	40	-1.0	-41.66	329.37	-2.06	-43.72
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020190490	0	46	-1.0	-41.45	373.49	6.87	-34.58
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020190490	1	46	-1.0	-41.45	373.56	6.87	-34.58
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC1=CSC=N1	REAL300020190491	0	44	-1.0	-45.44	373.52	3.82	-41.62
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC1=CSC=N1	REAL300020190491	1	44	-1.0	-45.49	373.60	3.83	-41.66
CN1C(=O)C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2N(C)C1=O	REAL300020190492	0	41	-1.0	-41.37	342.92	4.10	-37.27
CN1C(=O)C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2N(C)C1=O	REAL300020190492	1	41	-1.0	-41.40	342.99	4.11	-37.29
CC1=C(C)C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2N1	REAL300020190493	0	40	-1.0	-44.19	327.06	4.95	-39.24
CC1=C(C)C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2N1	REAL300020190493	1	40	-1.0	-44.22	327.14	4.97	-39.25
O=C(CCNC(=O)C1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190494	0	46	-1.0	-54.24	383.27	5.48	-48.76
O=C(CCNC(=O)C1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190494	1	46	-1.0	-54.24	383.34	5.49	-48.75
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=C(Cl)C=CC=C2Cl)=NO1	REAL300020190495	0	39	-1.0	-42.97	364.02	6.60	-36.37
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=C(Cl)C=CC=C2Cl)=NO1	REAL300020190495	1	39	-1.0	-42.97	363.94	6.59	-36.38
COC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=C(Br)C=C1	REAL300020190496	0	38	-1.0	-42.84	335.22	4.00	-38.84
COC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=C(Br)C=C1	REAL300020190496	1	38	-1.0	-42.83	335.29	4.01	-38.82
O=C(C1=C(C2CC2)N(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190497	0	44	-1.0	-44.76	356.57	6.54	-38.22
O=C(C1=C(C2CC2)N(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190497	1	44	-1.0	-44.82	356.64	6.56	-38.26
O=C(C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190498	0	36	-1.0	-44.71	330.32	1.71	-43.00
O=C(C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190498	1	36	-1.0	-44.71	330.40	1.73	-42.98
O=C(C1=CC=CC(NC2=NC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190499	0	40	-1.0	-46.66	331.47	6.20	-40.46
O=C(C1=CC=CC(NC2=NC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190499	1	40	-1.0	-46.67	331.39	6.19	-40.48
O=C(C1CC(=O)N(C2CCS(=O)(=O)C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190500	0	44	-1.0	-59.67	362.94	0.38	-59.29
O=C(C1CC(=O)N(C2CCS(=O)(=O)C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190500	1	44	-1.0	-59.62	363.02	0.38	-59.24
NC(=O)COC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190501	0	38	-1.0	-53.10	318.12	0.97	-52.13
NC(=O)COC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190501	1	38	-1.0	-53.15	318.19	0.98	-52.17
COC1=CC=C(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020190502	0	45	-1.0	-54.56	364.14	4.23	-50.33
COC1=CC=C(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020190502	1	45	-1.0	-54.59	364.21	4.25	-50.34
O=C(CN1CCS(=O)(=O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190503	0	38	-1.0	-50.88	314.83	-1.69	-52.57
O=C(CN1CCS(=O)(=O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190503	1	38	-1.0	-50.87	314.90	-1.68	-52.55
O=C(CNC(=O)C1=CNC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190504	0	43	-1.0	-57.68	364.09	2.66	-55.02
O=C(CNC(=O)C1=CNC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190504	1	43	-1.0	-57.71	364.17	2.67	-55.04
O=C(C1=C(Cl)C2=C(Cl)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190505	0	33	-1.0	-44.87	313.41	5.98	-38.89
O=C(C1=C(Cl)C2=C(Cl)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190505	1	33	-1.0	-44.91	313.48	5.99	-38.92
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190506	0	45	-1.0	-49.13	377.90	5.22	-43.91
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190506	1	45	-1.0	-49.16	377.97	5.24	-43.92
O=C(CCC1=CC=C(OC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190507	0	40	-1.0	-45.31	341.37	5.16	-40.15
O=C(CCC1=CC=C(OC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190507	1	40	-1.0	-45.32	341.45	5.17	-40.15
O=C(C1=C(C2CC2)N(C2=CC=CC=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190508	0	43	-1.0	-43.45	354.56	5.61	-37.84
O=C(C1=C(C2CC2)N(C2=CC=CC=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190508	1	43	-1.0	-43.46	354.63	5.63	-37.83
O=C(C1CC(=O)N(CC2=CC=CO2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190509	0	41	-1.0	-46.74	341.39	3.60	-43.14
O=C(C1CC(=O)N(CC2=CC=CO2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190509	1	41	-1.0	-46.74	341.46	3.61	-43.13
CC1=NOC(C)=C1COC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190510	0	46	-1.0	-51.83	381.76	6.56	-45.27
CC1=NOC(C)=C1COC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190510	1	46	-1.0	-51.88	381.83	6.57	-45.31
O=C(C1=NNC2=CC=C([N+](=O)[O-])C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020190511	0	35	-1.0	-49.42	310.11	3.54	-45.88
O=C(C1=NNC2=CC=C([N+](=O)[O-])C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020190511	1	35	-1.0	-49.37	310.18	3.55	-45.82
COC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190512	0	38	-1.0	-46.12	317.23	1.78	-44.34
COC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190512	1	38	-1.0	-46.16	317.31	1.80	-44.36
O=C(C1=CC=C(N2C=CN=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190513	0	36	-1.0	-46.79	302.89	5.27	-41.52
O=C(C1=CC=C(N2C=CN=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190513	1	36	-1.0	-46.80	302.96	5.27	-41.53
CCCS(=O)(=O)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190514	0	44	-1.0	-59.92	362.71	2.06	-57.86
CCCS(=O)(=O)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190514	1	44	-1.0	-59.91	362.79	2.07	-57.84
O=C(CN1N=CC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190515	0	38	-1.0	-55.75	327.55	3.79	-51.96
O=C(CN1N=CC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190515	1	38	-1.0	-55.77	327.63	3.80	-51.97
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2)CC1	REAL300020190516	0	37	-1.0	-46.90	321.82	6.17	-40.73
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2)CC1	REAL300020190516	1	37	-1.0	-46.88	321.89	6.17	-40.71
CN1C=CN=C1SCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020190517	0	41	-1.0	-44.53	363.71	5.76	-38.77
CN1C=CN=C1SCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020190517	1	41	-1.0	-44.55	363.64	5.75	-38.80
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=NC=CC(C)=C12	REAL300020190518	0	38	-1.0	-43.55	312.63	4.34	-39.21
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=NC=CC(C)=C12	REAL300020190518	1	38	-1.0	-43.54	312.71	4.35	-39.19
CC1NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN(C2=CC=CC=C2)C1=O	REAL300020190519	0	43	-1.0	-40.75	358.73	3.95	-36.80
CC1NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN(C2=CC=CC=C2)C1=O	REAL300020190519	1	43	-1.0	-40.71	358.80	3.95	-36.76
O=C(C1=CC=C2NC3=C(CCCCC3)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190520	0	47	-1.0	-44.99	358.91	6.48	-38.51
O=C(C1=CC=C2NC3=C(CCCCC3)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190520	1	47	-1.0	-45.02	358.98	6.48	-38.54
CCOC1=CC=C(C2=NC(C)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020190521	0	46	-1.0	-42.44	385.52	5.50	-36.94
CCOC1=CC=C(C2=NC(C)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020190521	1	46	-1.0	-42.42	385.44	5.49	-36.93
O=C(C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190522	0	39	-1.0	-47.43	339.72	5.02	-42.41
O=C(C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190522	1	39	-1.0	-47.44	339.65	5.02	-42.42
CC1=CC=C(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C3=C2CCC3)C=C1	REAL300020190523	0	47	-1.0	-46.94	382.94	7.87	-39.07
CC1=CC=C(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020190523	1	47	-1.0	-46.95	383.02	7.88	-39.07
O=C(C1=CC=CN=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020190524	0	46	-1.0	-42.71	364.67	3.82	-38.89
O=C(C1=CC=CN=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020190524	1	46	-1.0	-42.70	364.59	3.81	-38.89
CN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1Cl	REAL300020190525	0	31	-1.0	-39.00	287.88	4.00	-35.00
CN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1Cl	REAL300020190525	1	31	-1.0	-39.01	287.96	4.01	-35.00
O=C(C1=C2CCCCCN2C(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190526	0	50	-1.0	-46.89	383.56	8.23	-38.66
O=C(C1=C2CCCCCN2C(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190526	1	50	-1.0	-46.89	383.49	8.22	-38.67
COC1=CC=C(CSCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020190527	0	43	-1.0	-54.01	380.69	6.89	-47.12
COC1=CC=C(CSCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020190527	1	43	-1.0	-54.00	380.76	6.90	-47.10
CC(C)(C)C1=CC=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020190528	0	46	-1.0	-41.73	360.32	6.42	-35.31
CC(C)(C)C1=CC=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020190528	1	46	-1.0	-41.76	360.39	6.43	-35.33
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1C=NN=N1	REAL300020190529	0	38	-1.0	-50.23	313.60	4.46	-45.77
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1C=NN=N1	REAL300020190529	1	38	-1.0	-50.15	313.53	4.45	-45.70
O=C(C1=CC=C(Cl)C2=CC=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020190530	0	35	-1.0	-48.28	309.07	4.73	-43.55
O=C(C1=CC=C(Cl)C2=CC=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020190530	1	35	-1.0	-48.29	309.00	4.73	-43.56
CC(C)(C)NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020190531	0	47	-1.0	-43.76	380.93	1.75	-42.01
CC(C)(C)NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020190531	1	47	-1.0	-43.80	381.00	1.77	-42.03
CC(C)(C)C1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020190532	0	49	-1.0	-43.20	381.26	7.97	-35.23
CC(C)(C)C1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020190532	1	49	-1.0	-43.22	381.33	7.98	-35.24
CC(C)CN1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020190533	0	43	-1.0	-44.59	338.74	3.82	-40.77
CC(C)CN1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020190533	1	43	-1.0	-44.61	338.81	3.82	-40.79
O=C(CC1C2=CC=CC=C2OC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020190534	0	45	-1.0	-51.76	361.15	8.86	-42.90
O=C(CC1C2=CC=CC=C2OC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020190534	1	45	-1.0	-51.77	361.22	8.86	-42.91
O=C(C1=CC=CC(S(=O)(=O)NCC2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190535	0	45	-1.0	-50.59	379.14	2.14	-48.45
O=C(C1=CC=CC(S(=O)(=O)NCC2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190535	1	45	-1.0	-50.54	379.22	2.15	-48.39
O=C(COC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190536	0	36	-1.0	-53.55	317.85	5.35	-48.20
O=C(COC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190536	1	36	-1.0	-53.54	317.92	5.36	-48.18
O=C(C1=CC=C(F)C(S(=O)(=O)N2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190537	0	45	-1.0	-44.32	375.22	2.66	-41.66
O=C(C1=CC=C(F)C(S(=O)(=O)N2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190537	1	45	-1.0	-44.27	375.30	2.67	-41.60
CC1=CC=C(N2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C2CC2)C=C1Cl	REAL300020190538	0	47	-1.0	-44.32	392.01	7.65	-36.67
CC1=CC=C(N2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C2CC2)C=C1Cl	REAL300020190538	1	47	-1.0	-44.34	392.09	7.66	-36.68
CC1=NN(C)C2=NC(C)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020190539	0	41	-1.0	-43.11	338.69	4.02	-39.09
CC1=NN(C)C2=NC(C)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020190539	1	41	-1.0	-43.14	338.77	4.03	-39.11
O=C(C1=CC=CC(S(=O)(=O)NC2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190540	0	48	-1.0	-45.97	391.83	2.61	-43.36
O=C(C1=CC=CC(S(=O)(=O)NC2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190540	1	48	-1.0	-45.97	391.90	2.62	-43.35
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020190541	0	40	-1.0	-43.15	333.85	5.32	-37.83
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020190541	1	40	-1.0	-43.16	333.93	5.33	-37.83
O=C(C1=COC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190542	0	27	-1.0	-43.13	255.17	2.45	-40.68
O=C(C1=COC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190542	1	27	-1.0	-43.14	255.24	2.45	-40.69
CCOC1=CC=C(C2=NOC(CCC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020190543	0	48	-1.0	-44.62	404.39	4.46	-40.16
CCOC1=CC=C(C2=NOC(CCC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020190543	1	48	-1.0	-44.58	404.32	4.46	-40.12
O=C(COC1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190544	0	34	-1.0	-49.99	302.29	4.82	-45.17
O=C(COC1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190544	1	34	-1.0	-50.05	302.36	4.82	-45.23
O=C(C1=CC=C(OCC2=CC=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190545	0	43	-1.0	-47.20	356.12	5.07	-42.13
O=C(C1=CC=C(OCC2=CC=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190545	1	43	-1.0	-47.16	356.05	5.06	-42.10
O=C(C1=CC=CC=C1OCC1=CC=NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190546	0	43	-1.0	-50.12	359.30	6.01	-44.11
O=C(C1=CC=CC=C1OCC1=CC=NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190546	1	43	-1.0	-50.14	359.37	6.01	-44.13
CCOC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC1=CC=CN=C1	REAL300020190547	0	50	-1.0	-48.77	407.19	5.89	-42.88
CCOC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC1=CC=CN=C1	REAL300020190547	1	50	-1.0	-48.79	407.12	5.88	-42.91
O=C(C1CCCN1S(=O)(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190548	0	45	-1.0	-57.10	373.90	4.18	-52.92
O=C(C1CCCN1S(=O)(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190548	1	45	-1.0	-57.14	373.97	4.19	-52.95
O=C(C1=CNC(=S)N1C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190549	0	38	-1.0	-50.87	337.85	6.24	-44.63
O=C(C1=CNC(=S)N1C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190549	1	38	-1.0	-50.86	337.92	6.24	-44.62
CC1=CC=CC=C1C(CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(N)=O	REAL300020190550	0	45	-1.0	-43.29	358.73	1.87	-41.42
CC1=CC=CC=C1C(CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(N)=O	REAL300020190550	1	45	-1.0	-43.32	358.80	1.89	-41.43
CC1=CC=C(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020190551	0	43	-1.0	-43.38	352.08	5.81	-37.57
CC1=CC=C(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020190551	1	43	-1.0	-43.37	352.16	5.83	-37.54
CCCC1=CC=C(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020190552	0	50	-1.0	-53.39	399.02	7.18	-46.21
CCCC1=CC=C(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020190552	1	50	-1.0	-53.41	399.09	7.20	-46.21
O=C(C1CCN(C2=CN=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190553	0	43	-1.0	-45.88	342.69	2.62	-43.26
O=C(C1CCN(C2=CN=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190553	1	43	-1.0	-45.89	342.62	2.62	-43.27
CCCCC1=CC=C(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020190554	0	53	-1.0	-53.40	420.52	7.96	-45.44
CCCCC1=CC=C(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020190554	1	53	-1.0	-53.44	420.59	7.98	-45.46
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020190555	0	46	-1.0	-44.29	369.22	6.59	-37.70
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020190555	1	46	-1.0	-44.32	369.29	6.60	-37.72
CN1C(=O)NC(=O)C2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C21	REAL300020190556	0	45	-1.0	-48.55	369.44	4.76	-43.79
CN1C(=O)NC(=O)C2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C21	REAL300020190556	1	45	-1.0	-48.53	369.51	4.77	-43.76
CCN1C(=O)NC(=O)C2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C21	REAL300020190557	0	48	-1.0	-49.72	391.87	5.71	-44.01
CCN1C(=O)NC(=O)C2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C21	REAL300020190557	1	48	-1.0	-49.76	391.94	5.73	-44.03
CCN1C(=O)NC(=O)C2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C(C)C)N=C21	REAL300020190558	0	50	-1.0	-48.61	401.63	5.50	-43.11
CCN1C(=O)NC(=O)C2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C(C)C)N=C21	REAL300020190558	1	50	-1.0	-48.60	401.70	5.52	-43.08
O=C(C1CC(=O)N(C2=CC=C3CCCC3=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190559	0	48	-1.0	-54.73	380.08	6.85	-47.88
O=C(C1CC(=O)N(C2=CC=C3CCCC3=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190559	1	48	-1.0	-54.76	380.16	6.85	-47.91
O=C(CC1=CC=C(N2C=NN=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190560	0	38	-1.0	-51.43	329.10	4.96	-46.47
O=C(CC1=CC=C(N2C=NN=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190560	1	38	-1.0	-51.40	329.02	4.94	-46.46
O=C(CCC(=O)C1=CC=CS1)CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190561	0	43	-1.0	-45.25	378.24	5.99	-39.26
O=C(CCC(=O)C1=CC=CS1)CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190561	1	43	-1.0	-45.25	378.32	5.99	-39.26
O=C(C1CCC(C(F)(F)F)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190562	0	37	-1.0	-48.40	316.02	1.35	-47.05
O=C(C1CCC(C(F)(F)F)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190562	1	37	-1.0	-48.37	316.10	1.36	-47.01
CCOC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1C	REAL300020190563	0	41	-1.0	-40.99	342.77	4.78	-36.21
CCOC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1C	REAL300020190563	1	41	-1.0	-40.97	342.85	4.80	-36.17
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020190564	0	46	-1.0	-44.54	374.77	6.54	-38.00
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020190564	1	46	-1.0	-44.55	374.85	6.55	-38.00
CC1=CC=CC(C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)NC(N)=O)=C1	REAL300020190565	0	45	-1.0	-44.90	363.67	1.86	-43.04
CC1=CC=CC(C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)NC(N)=O)=C1	REAL300020190565	1	45	-1.0	-44.90	363.74	1.86	-43.04
CC(OC1=CC=CC=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190566	0	37	-1.0	-48.52	319.42	5.64	-42.88
CC(OC1=CC=CC=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190566	1	37	-1.0	-48.57	319.50	5.64	-42.93
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=N1	REAL300020190567	0	43	-1.0	-49.59	347.51	6.58	-43.01
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=N1	REAL300020190567	1	43	-1.0	-49.57	347.44	6.58	-42.99
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=NC=CS1	REAL300020190568	0	40	-1.0	-48.52	331.82	6.07	-42.45
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=NC=CS1	REAL300020190568	1	40	-1.0	-48.55	331.74	6.06	-42.49
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CN=C1	REAL300020190569	0	43	-1.0	-46.56	351.20	5.88	-40.68
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CN=C1	REAL300020190569	1	43	-1.0	-46.55	351.28	5.89	-40.66
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1CC1=CC=CC=N1	REAL300020190570	0	46	-1.0	-50.51	369.56	6.51	-44.00
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1CC1=CC=CC=N1	REAL300020190570	1	46	-1.0	-50.56	369.64	6.51	-44.05
O=C(CCOC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190571	0	37	-1.0	-42.11	317.02	4.46	-37.65
O=C(CCOC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190571	1	37	-1.0	-42.12	317.09	4.48	-37.64
CC12CCC(=O)N1C1=CC=CC=C1C(=O)N2CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190572	0	49	-1.0	-55.64	392.25	5.36	-50.28
CC12CCC(=O)N1C1=CC=CC=C1C(=O)N2CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190572	1	49	-1.0	-55.63	392.32	5.38	-50.25
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020190573	0	43	-1.0	-44.74	347.50	5.92	-38.82
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020190573	1	43	-1.0	-44.78	347.58	5.92	-38.86
O=C(CCOC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190574	0	37	-1.0	-42.48	317.01	4.46	-38.02
O=C(CCOC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190574	1	37	-1.0	-42.51	317.08	4.48	-38.03
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020190575	0	46	-1.0	-41.76	363.17	6.42	-35.34
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020190575	1	46	-1.0	-41.78	363.24	6.42	-35.36
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020190576	0	43	-1.0	-44.18	364.16	6.43	-37.75
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020190576	1	43	-1.0	-44.20	364.24	6.45	-37.75
CCCCNC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190577	0	44	-1.0	-42.19	350.43	5.14	-37.05
CCCCNC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190577	1	44	-1.0	-42.20	350.51	5.15	-37.05
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020190578	0	40	-1.0	-44.30	344.16	5.77	-38.53
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020190578	1	40	-1.0	-44.33	344.24	5.78	-38.55
CCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCCCC	REAL300020190579	0	56	-1.0	-44.90	438.36	7.77	-37.13
CCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCCCC	REAL300020190579	1	56	-1.0	-44.89	438.44	7.77	-37.12
O=C(C1=CC=C(CN2CCCCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190580	0	47	-1.0	-51.13	370.32	5.93	-45.20
O=C(C1=CC=C(CN2CCCCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190580	1	47	-1.0	-51.15	370.39	5.94	-45.21
O=C(C1=CC=CC(S(=O)(=O)CC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190581	0	46	-1.0	-50.30	392.10	5.02	-45.28
O=C(C1=CC=CC(S(=O)(=O)CC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190581	1	46	-1.0	-50.33	392.17	5.04	-45.29
O=C(NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)C1CCCCC1	REAL300020190582	0	50	-1.0	-45.98	387.85	5.83	-40.15
O=C(NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C1CCCCC1	REAL300020190582	1	50	-1.0	-46.00	387.92	5.84	-40.16
CCN(CC)C(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020190583	0	51	-1.0	-39.67	376.76	4.87	-34.80
CCN(CC)C(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020190583	1	51	-1.0	-39.71	376.83	4.88	-34.83
CN1C=C(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020190584	0	38	-1.0	-50.55	339.45	-1.84	-52.39
CN1C=C(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020190584	1	38	-1.0	-50.55	339.37	-1.85	-52.40
CN(C)C(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020190585	0	45	-1.0	-40.42	338.28	2.94	-37.48
CN(C)C(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020190585	1	45	-1.0	-40.43	338.36	2.95	-37.48
CC1=CC=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(Cl)C2=C1	REAL300020190586	0	37	-1.0	-43.35	320.36	5.30	-38.05
CC1=CC=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(Cl)C2=C1	REAL300020190586	1	37	-1.0	-43.41	320.44	5.30	-38.11
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=N1	REAL300020190587	0	42	-1.0	-46.85	342.22	5.83	-41.02
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=N1	REAL300020190587	1	42	-1.0	-46.83	342.15	5.81	-41.02
O=C(NC1CC1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020190588	0	46	-1.0	-49.21	361.12	3.58	-45.63
O=C(NC1CC1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020190588	1	46	-1.0	-49.21	361.19	3.60	-45.61
O=C(C1=CSC(CC2=CC=C(Cl)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190589	0	39	-1.0	-44.60	360.01	6.45	-38.15
O=C(C1=CSC(CC2=CC=C(Cl)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190589	1	39	-1.0	-44.63	360.08	6.45	-38.18
CC(C)COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190590	0	50	-1.0	-49.12	409.24	7.28	-41.84
CC(C)COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190590	1	50	-1.0	-49.19	409.17	7.28	-41.91
O=C(C1=CC=C2NC(=O)CCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190591	0	41	-1.0	-46.35	325.40	3.69	-42.66
O=C(C1=CC=C2NC(=O)CCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190591	1	41	-1.0	-46.36	325.47	3.69	-42.67
O=C(CCOC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190592	0	37	-1.0	-41.79	327.34	4.91	-36.88
O=C(CCOC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190592	1	37	-1.0	-41.79	327.41	4.93	-36.86
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(CC2=CC=CC=C2)=N1	REAL300020190593	0	42	-1.0	-42.11	357.81	6.02	-36.09
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(CC2=CC=CC=C2)=N1	REAL300020190593	1	42	-1.0	-42.15	357.89	6.03	-36.12
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC(Br)=CC=C2N1	REAL300020190594	0	40	-1.0	-47.02	353.45	5.93	-41.09
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC(Br)=CC=C2N1	REAL300020190594	1	40	-1.0	-47.00	353.52	5.93	-41.07
CC1=CC=C([N+](=O)[O-])C(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190595	0	42	-1.0	-46.29	358.02	6.51	-39.78
CC1=CC=C([N+](=O)[O-])C(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190595	1	42	-1.0	-46.32	358.10	6.51	-39.81
CC(OCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190596	0	40	-1.0	-47.47	330.23	5.65	-41.82
CC(OCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190596	1	40	-1.0	-47.49	330.31	5.66	-41.83
O=C(C1=NN(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190597	0	37	-1.0	-45.42	314.49	5.36	-40.06
O=C(C1=NN(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190597	1	37	-1.0	-45.42	314.42	5.35	-40.07
CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190598	0	50	-1.0	-44.21	385.44	6.43	-37.78
CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190598	1	50	-1.0	-44.23	385.51	6.43	-37.80
O=C(C1=CC=C(N2C=C(Br)C=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190599	0	37	-1.0	-45.95	330.12	5.40	-40.55
O=C(C1=CC=C(N2C=C(Br)C=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190599	1	37	-1.0	-45.91	330.05	5.39	-40.52
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)[N-]1	REAL300020190600	0	46	-2.0	-89.68	389.59	4.64	-85.04
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)[N-]1	REAL300020190600	1	46	-2.0	-89.70	389.66	4.66	-85.04
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)N1	REAL300020190600	1	47	-1.0	-59.11	391.61	4.75	-54.36
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)N1	REAL300020190600	1	47	-1.0	-59.09	391.69	4.76	-54.33
O=C(C1CC(=O)N(C2CCCCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190601	0	47	-1.0	-45.13	358.40	4.93	-40.20
O=C(C1CC(=O)N(C2CCCCC2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190601	1	47	-1.0	-45.15	358.47	4.93	-40.22
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190602	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	REAL300020190602	1	39	-1.0	-49.56	336.45	5.40	-44.16
O=C(CC1=CC=C(N2C=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190603	0	41	-1.0	-46.11	341.63	7.55	-38.56
O=C(CC1=CC=C(N2C=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190603	1	41	-1.0	-46.13	341.70	7.56	-38.57
CC1=CC=C(N2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C(C)C)C=C1	REAL300020190604	0	49	-1.0	-43.02	378.17	7.03	-35.99
CC1=CC=C(N2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C(C)C)C=C1	REAL300020190604	1	49	-1.0	-42.98	378.24	7.03	-35.95
O=C(COC1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190605	0	37	-1.0	-51.82	327.13	5.74	-46.08
O=C(COC1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190605	1	37	-1.0	-51.81	327.20	5.74	-46.07
CC1=CC(C(F)(F)F)=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)OC2=N1	REAL300020190606	0	38	-1.0	-41.90	339.98	3.05	-38.85
CC1=CC(C(F)(F)F)=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)OC2=N1	REAL300020190606	1	38	-1.0	-41.91	340.06	3.07	-38.84
CN(C)S(=O)(=O)C1=CNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190607	0	39	-1.0	-50.03	335.55	-0.11	-50.14
CN(C)S(=O)(=O)C1=CNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190607	1	39	-1.0	-50.01	335.63	-0.11	-50.12
O=C(C1=CC2=CC(Br)=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190608	0	33	-1.0	-39.57	305.55	5.10	-34.47
O=C(C1=CC2=CC(Br)=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190608	1	33	-1.0	-39.62	305.63	5.11	-34.51
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020190609	0	44	-1.0	-44.00	363.53	0.36	-43.64
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020190609	1	44	-1.0	-44.04	363.60	0.36	-43.68
CC1=NC2=CC(F)=CC=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190610	0	38	-1.0	-41.47	320.28	4.74	-36.73
CC1=NC2=CC(F)=CC=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190610	1	38	-1.0	-41.49	320.35	4.74	-36.75
CC(C)NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190611	0	44	-1.0	-47.82	374.63	1.38	-46.44
CC(C)NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190611	1	44	-1.0	-47.82	374.71	1.38	-46.44
COC1=C2OC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=CC=C1	REAL300020190612	0	37	-1.0	-43.56	313.80	3.76	-39.80
COC1=C2OC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=CC=C1	REAL300020190612	1	37	-1.0	-43.59	313.87	3.77	-39.82
O=C(C1=CC(Cl)=CC=C1N1C=NN=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190613	0	35	-1.0	-55.91	315.34	4.65	-51.26
O=C(C1=CC(Cl)=CC=C1N1C=NN=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190613	1	35	-1.0	-55.93	315.27	4.64	-51.29
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190614	0	37	-1.0	-44.92	320.95	5.44	-39.48
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190614	1	37	-1.0	-44.94	320.88	5.43	-39.51
O=C(CCOC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190615	0	37	-1.0	-43.19	342.51	5.37	-37.82
O=C(CCOC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190615	1	37	-1.0	-43.18	342.58	5.39	-37.79
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C2C(=O)NN(C)C2=N1	REAL300020190616	0	39	-1.0	-54.51	327.83	2.72	-51.79
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C2C(=O)NN(C)C2=N1	REAL300020190616	1	39	-1.0	-54.52	327.90	2.73	-51.79
O=C(CCOC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020190617	0	37	-1.0	-42.79	326.62	4.96	-37.83
O=C(CCOC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020190617	1	37	-1.0	-42.79	326.69	4.97	-37.82
CC1=NN(C2=CC=CC=C2)C2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020190618	0	45	-1.0	-47.43	373.48	6.86	-40.57
CC1=NN(C2=CC=CC=C2)C2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020190618	1	45	-1.0	-47.43	373.56	6.88	-40.55
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=N1	REAL300020190619	0	45	-1.0	-45.79	353.33	6.20	-39.59
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=N1	REAL300020190619	1	45	-1.0	-45.76	353.26	6.19	-39.57
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190620	0	53	-1.0	-54.60	412.29	6.11	-48.49
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190620	1	53	-1.0	-54.61	412.36	6.11	-48.50
CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020190621	0	35	-1.0	-44.96	316.34	-1.71	-46.67
CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020190621	1	35	-1.0	-44.98	316.41	-1.71	-46.69
O=C(CCCC1=NC(C2=CC=C(Cl)C=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190622	0	44	-1.0	-50.12	391.32	5.52	-44.60
O=C(CCCC1=NC(C2=CC=C(Cl)C=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190622	1	44	-1.0	-50.12	391.24	5.52	-44.60
CC1=CC=CC(C)=C1OCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190623	0	43	-1.0	-43.57	352.36	5.94	-37.63
CC1=CC=CC(C)=C1OCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190623	1	43	-1.0	-43.62	352.43	5.95	-37.67
O=C(C1CC(=O)N(CC(F)(F)F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190624	0	37	-1.0	-47.70	320.21	2.92	-44.78
O=C(C1CC(=O)N(CC(F)(F)F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190624	1	37	-1.0	-47.68	320.29	2.94	-44.74
COC1=NN(C)C2=NC(C)=C(CCC(=O)N3CCC(C4=N[N-]N=N4)C3)C(C)=C12	REAL300020190625	0	51	-1.0	-46.16	411.37	3.73	-42.43
COC1=NN(C)C2=NC(C)=C(CCC(=O)N3CCC(C4=NN=N[N-]4)C3)C(C)=C12	REAL300020190625	1	51	-1.0	-46.18	411.45	3.74	-42.44
O=C(NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)C1=CC=C(F)C=C1	REAL300020190626	0	44	-1.0	-46.84	368.23	5.65	-41.19
O=C(NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C1=CC=C(F)C=C1	REAL300020190626	1	44	-1.0	-46.83	368.31	5.67	-41.16
CC(C)NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020190627	0	44	-1.0	-43.91	371.97	1.26	-42.65
CC(C)NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020190627	1	44	-1.0	-43.88	372.05	1.28	-42.60
O=C(C1CCN(S(=O)(=O)C2=CC=CN=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190628	0	47	-1.0	-42.72	388.63	2.01	-40.71
O=C(C1CCN(S(=O)(=O)C2=CC=CN=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190628	1	47	-1.0	-42.69	388.56	1.99	-40.70
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1C	REAL300020190629	0	43	-1.0	-44.71	345.15	6.15	-38.56
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1C	REAL300020190629	1	43	-1.0	-44.77	345.22	6.15	-38.62
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C(C)=C1	REAL300020190630	0	42	-1.0	-44.56	346.18	5.47	-39.09
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C(C)=C1	REAL300020190630	1	42	-1.0	-44.58	346.10	5.47	-39.11
O=C(C1=C(Cl)C2=CC(Cl)=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190631	0	34	-1.0	-42.51	315.72	5.13	-37.38
O=C(C1=C(Cl)C2=CC(Cl)=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190631	1	34	-1.0	-42.54	315.80	5.16	-37.38
CCN1N=C(C(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190632	0	42	-1.0	-40.82	334.20	4.18	-36.64
CCN1N=C(C(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190632	1	42	-1.0	-40.84	334.28	4.19	-36.65
CC1=CC=C(C2=NC(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020190633	0	39	-1.0	-55.06	348.90	4.61	-50.45
CC1=CC=C(C2=NC(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)O1	REAL300020190633	1	39	-1.0	-55.00	348.82	4.59	-50.41
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=CS1	REAL300020190634	0	37	-1.0	-52.83	321.67	3.45	-49.38
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=CS1	REAL300020190634	1	37	-1.0	-52.85	321.75	3.45	-49.40
O=C(CCNS(=O)(=O)C1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190635	0	40	-1.0	-49.96	351.95	-0.66	-50.62
O=C(CCNS(=O)(=O)C1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190635	1	40	-1.0	-49.98	351.87	-0.67	-50.65
O=C(C1=CC=C(CN2C=CC=N2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190636	0	37	-1.0	-45.18	321.66	3.92	-41.26
O=C(C1=CC=C(CN2C=CC=N2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190636	1	37	-1.0	-45.19	321.59	3.92	-41.27
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C)=C1OC(F)F	REAL300020190637	0	40	-1.0	-43.74	332.36	4.79	-38.95
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1OC(F)F	REAL300020190637	1	40	-1.0	-43.74	332.44	4.79	-38.95
O=C(C1=CC=C(OC2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190638	0	44	-1.0	-43.17	344.69	5.79	-37.38
O=C(C1=CC=C(OC2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190638	1	44	-1.0	-43.17	344.77	5.81	-37.36
O=C(CC1=CC=CC=C1)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020190639	0	50	-1.0	-49.24	397.59	6.75	-42.49
O=C(CC1=CC=CC=C1)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020190639	1	50	-1.0	-49.24	397.66	6.76	-42.48
CN(C)S(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190640	0	45	-1.0	-48.92	386.16	3.18	-45.74
CN(C)S(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190640	1	45	-1.0	-48.89	386.23	3.19	-45.70
CCNS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190641	0	45	-1.0	-48.97	387.48	2.24	-46.73
CCNS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190641	1	45	-1.0	-48.98	387.55	2.26	-46.72
CC1=CC=CC(NC(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190642	0	42	-1.0	-43.95	351.25	2.46	-41.49
CC1=CC=CC(NC(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190642	1	42	-1.0	-43.99	351.32	2.47	-41.52
NS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020190643	0	35	-1.0	-52.53	327.36	-1.12	-53.65
NS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020190643	1	35	-1.0	-52.56	327.44	-1.11	-53.67
CC(C)(C)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020190644	0	43	-1.0	-50.95	336.75	3.65	-47.30
CC(C)(C)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020190644	1	43	-1.0	-50.98	336.82	3.66	-47.32
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=C(F)C=C2)=NO1	REAL300020190645	0	39	-1.0	-40.49	342.51	5.80	-34.69
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=C(F)C=C2)=NO1	REAL300020190645	1	39	-1.0	-40.49	342.44	5.80	-34.69
CC1=CC(C)=C(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C(C)=C1	REAL300020190646	0	50	-1.0	-47.04	398.56	7.88	-39.16
CC1=CC(C)=C(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C(C)=C1	REAL300020190646	1	50	-1.0	-47.08	398.64	7.89	-39.19
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2F)CCCC1	REAL300020190647	0	43	-1.0	-46.98	328.80	6.28	-40.70
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2F)CCCC1	REAL300020190647	1	43	-1.0	-46.96	328.87	6.29	-40.67
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C(F)C=C1	REAL300020190648	0	39	-1.0	-41.53	333.22	4.45	-37.08
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C(F)C=C1	REAL300020190648	1	39	-1.0	-41.57	333.29	4.45	-37.12
O=C(C1=CNC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190649	0	36	-1.0	-62.06	311.24	3.81	-58.25
O=C(C1=CNC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190649	1	36	-1.0	-62.06	311.31	3.81	-58.25
O=C(C1=CC=C(C2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190650	0	37	-1.0	-43.53	329.64	6.57	-36.96
O=C(C1=CC=C(C2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190650	1	37	-1.0	-43.53	329.71	6.57	-36.96
CC(=O)NC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020190651	0	33	-1.0	-45.52	296.59	1.53	-43.99
CC(=O)NC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020190651	1	33	-1.0	-45.44	296.52	1.53	-43.91
O=C(C1=CC=C(S(=O)(=O)NC2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190652	0	44	-1.0	-47.59	376.12	1.73	-45.86
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190652	1	43	-2.0	-83.44	373.62	1.74	-81.70
O=C(C1=CC=C(S(=O)(=O)N2CCOCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190653	0	43	-1.0	-44.25	368.12	-0.33	-44.58
O=C(C1=CC=C(S(=O)(=O)N2CCOCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190653	1	43	-1.0	-44.28	368.19	-0.31	-44.59
O=C(C1CC1)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020190654	0	44	-1.0	-42.93	346.52	4.47	-38.46
O=C(C1CC1)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020190654	1	44	-1.0	-42.92	346.59	4.49	-38.43
O=C(COC1=CC(NC(=O)C2CC2)=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190655	0	45	-1.0	-50.71	376.83	5.16	-45.55
O=C(COC1=CC(NC(=O)C2CC2)=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190655	1	45	-1.0	-50.64	376.91	5.17	-45.47
O=C(C1=NOC(C2=CC=CC=C2Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190656	0	36	-1.0	-42.10	328.40	5.74	-36.36
O=C(C1=NOC(C2=CC=CC=C2Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190656	1	36	-1.0	-42.06	328.33	5.73	-36.33
O=C(CCC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020190657	0	53	-1.0	-50.13	418.25	7.55	-42.58
O=C(CCC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020190657	1	53	-1.0	-50.13	418.33	7.56	-42.57
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1NC(=O)C1=CC=CC=C1	REAL300020190658	0	47	-1.0	-58.06	380.42	6.46	-51.60
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1NC(=O)C1=CC=CC=C1	REAL300020190658	1	47	-1.0	-58.05	380.49	6.46	-51.59
CC(C)C(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190659	0	43	-1.0	-47.71	346.56	3.92	-43.79
CC(C)C(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190659	1	43	-1.0	-47.72	346.63	3.94	-43.78
O=C(COC1=CC(NC(=O)C2=CC=CO2)=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190660	0	45	-1.0	-58.02	385.65	4.71	-53.31
O=C(COC1=CC(NC(=O)C2=CC=CO2)=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190660	1	45	-1.0	-58.00	385.72	4.72	-53.28
CC(C)CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190661	0	47	-1.0	-47.13	388.68	2.03	-45.10
CC(C)CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190661	1	47	-1.0	-47.11	388.76	2.05	-45.06
O=C(C1=CC2=C(F)C=C(Br)C=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190662	0	34	-1.0	-41.08	312.11	4.79	-36.29
O=C(C1=CC2=C(F)C=C(Br)C=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190662	1	34	-1.0	-41.08	312.19	4.80	-36.28
O=C(C1=CC2=CC=C(Cl)C=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190663	0	34	-1.0	-40.78	301.05	4.60	-36.18
O=C(C1=CC2=CC=C(Cl)C=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190663	1	34	-1.0	-40.78	301.13	4.62	-36.16
CC1=CC=C(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020190664	0	39	-1.0	-39.84	333.35	5.61	-34.23
CC1=CC=C(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020190664	1	39	-1.0	-39.81	333.28	5.61	-34.20
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1=CC=CC=C1	REAL300020190665	0	41	-1.0	-46.58	354.27	2.46	-44.12
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1=CC=CC=C1	REAL300020190665	1	41	-1.0	-46.61	354.35	2.48	-44.13
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190666	0	47	-1.0	-39.18	377.26	8.47	-30.71
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190666	1	47	-1.0	-39.20	377.33	8.49	-30.71
CC(C)C1=NOC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020190667	0	40	-1.0	-43.10	336.01	2.23	-40.87
CC(C)C1=NOC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020190667	1	40	-1.0	-43.12	336.09	2.25	-40.87
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190668	0	41	-1.0	-55.19	362.02	4.61	-50.58
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190668	1	41	-1.0	-55.21	362.09	4.62	-50.59
O=C(C1=NN(C2=CC=CC=C2F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190669	0	37	-1.0	-49.08	319.01	5.52	-43.56
O=C(C1=NN(C2=CC=CC=C2F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190669	1	37	-1.0	-49.09	318.94	5.52	-43.57
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCOCC1	REAL300020190670	0	44	-1.0	-42.36	330.28	4.43	-37.93
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCOCC1	REAL300020190670	1	44	-1.0	-42.34	330.35	4.44	-37.90
CCCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190671	0	42	-1.0	-50.59	350.42	4.12	-46.47
CCCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190671	1	42	-1.0	-50.58	350.49	4.14	-46.44
CC1=NC(C)=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020190672	0	38	-1.0	-53.90	318.67	1.95	-51.95
CC1=NC(C)=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020190672	1	38	-1.0	-53.91	318.74	1.96	-51.95
CC1=CC=C(C2=NC(C)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)O1	REAL300020190673	0	39	-1.0	-41.91	339.33	4.21	-37.70
CC1=CC=C(C2=NC(C)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)O1	REAL300020190673	1	39	-1.0	-41.87	339.26	4.21	-37.66
O=C(C1CC(=O)N(CC2=CC=CC=N2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190674	0	43	-1.0	-48.27	355.59	3.66	-44.61
O=C(C1CC(=O)N(CC2=CC=CC=N2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190674	1	43	-1.0	-48.29	355.66	3.66	-44.63
O=C(C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190675	0	42	-1.0	-53.71	356.14	6.14	-47.57
O=C(C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190675	1	42	-1.0	-53.63	356.06	6.13	-47.50
CC(C)(C)C1=NOC(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020190676	0	46	-1.0	-50.06	376.91	3.57	-46.49
CC(C)(C)C1=NOC(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020190676	1	46	-1.0	-50.10	376.98	3.58	-46.52
CN1C2=CC=CC=C2C(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190677	0	37	-1.0	-42.06	334.45	6.04	-36.02
CN1C2=CC=CC=C2C(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190677	1	37	-1.0	-42.08	334.53	6.06	-36.02
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1=CC=CN=C1	REAL300020190678	0	40	-1.0	-46.72	349.39	0.68	-46.04
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1=CC=CN=C1	REAL300020190678	1	40	-1.0	-46.70	349.31	0.67	-46.03
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020190679	0	35	-1.0	-49.71	309.69	-1.43	-51.14
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020190679	1	35	-1.0	-49.73	309.77	-1.43	-51.16
COC1=CC=C(C2=NOC(CCCC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020190680	0	48	-1.0	-52.09	404.03	4.32	-47.77
COC1=CC=C(C2=NOC(CCCC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020190680	1	48	-1.0	-52.07	403.96	4.31	-47.76
O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190681	0	49	-1.0	-47.91	367.56	4.35	-43.56
O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190681	1	49	-1.0	-47.92	367.63	4.36	-43.56
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190682	0	37	-1.0	-42.23	330.15	5.96	-36.27
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190682	1	37	-1.0	-42.24	330.22	5.97	-36.27
O=C(C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190683	0	39	-1.0	-53.72	342.81	6.05	-47.67
O=C(C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190683	1	39	-1.0	-53.75	342.74	6.03	-47.72
CC1=CC=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020190684	0	36	-1.0	-45.08	324.43	4.12	-40.96
CC1=CC=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)O1	REAL300020190684	1	36	-1.0	-45.08	324.36	4.12	-40.96
O=C(C(C1=CC=CC=C1)N1CCCCC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190685	0	47	-1.0	-44.47	365.54	5.77	-38.70
O=C(C(C1=CC=CC=C1)N1CCCCC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190685	1	47	-1.0	-44.52	365.61	5.78	-38.74
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190686	0	42	-1.0	-50.41	367.58	6.41	-44.00
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190686	1	42	-1.0	-50.41	367.66	6.42	-43.99
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=C1C(=O)CCC2	REAL300020190687	0	39	-1.0	-47.48	319.84	4.55	-42.93
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=C1C(=O)CCC2	REAL300020190687	1	39	-1.0	-47.51	319.92	4.56	-42.95
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190688	0	42	-1.0	-50.85	348.06	4.08	-46.77
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190688	1	42	-1.0	-50.84	348.14	4.08	-46.76
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1F	REAL300020190689	0	40	-1.0	-45.20	340.56	5.46	-39.74
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1F	REAL300020190689	1	40	-1.0	-45.21	340.63	5.46	-39.75
O=C(C1=CC=CC(OCC2=CC=CS2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190690	0	41	-1.0	-44.16	351.53	5.91	-38.25
O=C(C1=CC=CC(OCC2=CC=CS2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190690	1	41	-1.0	-44.15	351.60	5.92	-38.23
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190691	0	37	-2.0	-84.63	315.47	-1.18	-85.81
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190691	1	37	-2.0	-84.62	315.39	-1.20	-85.82
O=C(C1=CSC(CC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190692	0	39	-1.0	-43.89	343.28	5.91	-37.98
O=C(C1=CSC(CC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190692	1	39	-1.0	-43.85	343.35	5.93	-37.92
CC(C)NC(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190693	0	45	-1.0	-47.73	362.98	2.74	-44.99
CC(C)NC(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190693	1	45	-1.0	-47.76	363.06	2.76	-45.00
CCC(CC)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020190694	0	46	-1.0	-49.66	353.56	5.22	-44.44
CCC(CC)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020190694	1	46	-1.0	-49.65	353.64	5.22	-44.43
O=C(C1=CNC=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190695	0	38	-1.0	-50.97	313.89	5.18	-45.79
O=C(C1=CNC=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190695	1	38	-1.0	-50.94	313.97	5.19	-45.75
O=C(C1=CSC(C2=CC=CC(Cl)=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190696	0	36	-1.0	-44.15	336.73	5.77	-38.38
O=C(C1=CSC(C2=CC=CC(Cl)=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190696	1	36	-1.0	-44.14	336.66	5.76	-38.38
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190697	0	47	-1.0	-41.51	378.09	4.18	-37.33
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190697	1	47	-1.0	-41.51	378.16	4.18	-37.33
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190698	0	47	-1.0	-40.43	381.16	4.04	-36.39
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190698	1	47	-1.0	-40.44	381.24	4.04	-36.40
CC(C)(C)CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190699	0	53	-1.0	-39.77	411.03	5.60	-34.17
CC(C)(C)CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190699	1	53	-1.0	-39.80	411.06	5.61	-34.19
O=C(NC1=CC=CC=C1F)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020190700	0	49	-1.0	-45.99	391.41	5.71	-40.28
O=C(NC1=CC=CC=C1F)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020190700	1	49	-1.0	-46.03	391.48	5.73	-40.30
O=C(OCC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020190701	0	51	-1.0	-40.29	410.75	6.80	-33.49
O=C(OCC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020190701	1	51	-1.0	-40.31	410.82	6.82	-33.49
O=C(CCNC(=O)OCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190702	0	44	-1.0	-49.92	374.11	3.48	-46.44
O=C(CCNC(=O)OCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190702	1	44	-1.0	-49.93	374.18	3.49	-46.44
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CC1=CC=CC=C1	REAL300020190703	0	43	-1.0	-44.51	348.16	5.60	-38.91
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CC1=CC=CC=C1	REAL300020190703	1	43	-1.0	-44.53	348.23	5.62	-38.91
N#CC(=CC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190704	0	35	-1.0	-40.58	306.54	4.94	-35.64
N#CC(=CC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190704	1	35	-1.0	-40.57	306.61	4.96	-35.61
NC(=S)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190705	0	34	-1.0	-51.79	297.61	2.79	-49.00
NC(=S)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190705	1	34	-1.0	-51.83	297.68	2.80	-49.03
O=C(C=CC1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190706	0	34	-1.0	-45.60	303.62	5.40	-40.20
O=C(C=CC1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190706	1	34	-1.0	-45.63	303.70	5.42	-40.21
O=C(C1=CC(F)=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190707	0	30	-1.0	-39.96	277.76	4.24	-35.72
O=C(C1=CC(F)=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190707	1	30	-1.0	-40.00	277.83	4.25	-35.75
O=C(C1=CC=CC=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190708	0	37	-1.0	-52.02	309.50	5.37	-46.65
O=C(C1=CC=CC=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190708	1	37	-1.0	-52.02	309.43	5.36	-46.66
O=C(CCOC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190709	0	37	-1.0	-42.01	327.33	4.91	-37.10
O=C(CCOC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190709	1	37	-1.0	-42.05	327.40	4.93	-37.12
O=C(C1=CC=C(CN2C=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190710	0	40	-1.0	-50.01	333.19	6.84	-43.17
O=C(C1=CC=C(CN2C=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190710	1	40	-1.0	-50.00	333.26	6.85	-43.15
O=C(C1=C(Br)C2=CC=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190711	0	34	-1.0	-43.10	302.72	4.72	-38.38
O=C(C1=C(Br)C2=CC=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190711	1	34	-1.0	-43.09	302.79	4.74	-38.35
O=C(C1=CC=CN=C1SCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190712	0	43	-1.0	-46.58	377.25	7.14	-39.44
O=C(C1=CC=CN=C1SCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190712	1	43	-1.0	-46.59	377.17	7.13	-39.46
O=C(C1=CC=C(C2=CC=CC=C2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190713	0	40	-1.0	-45.92	333.96	7.19	-38.73
O=C(C1=CC=C(C2=CC=CC=C2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190713	1	40	-1.0	-45.93	334.04	7.21	-38.72
O=C(C1=CC=CN=C1N1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190714	0	44	-1.0	-45.13	347.39	4.83	-40.30
O=C(C1=CC=CN=C1N1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190714	1	44	-1.0	-45.15	347.47	4.84	-40.31
O=C(COCCOC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190715	0	41	-1.0	-51.16	345.13	4.94	-46.22
O=C(COCCOC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190715	1	41	-1.0	-51.18	345.20	4.94	-46.24
COC1=CC=CC(COCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190716	0	41	-1.0	-49.61	344.71	4.48	-45.13
COC1=CC=CC(COCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190716	1	41	-1.0	-49.57	344.78	4.49	-45.08
CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020190717	0	33	-1.0	-44.15	285.19	2.22	-41.93
CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020190717	1	33	-1.0	-44.15	285.12	2.20	-41.95
CC1=CC=C(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020190718	0	39	-1.0	-42.61	331.69	4.58	-38.03
CC1=CC=C(N2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020190718	1	39	-1.0	-42.60	331.62	4.57	-38.03
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CC1=CC=CC=C1	REAL300020190719	0	46	-1.0	-44.74	371.36	6.38	-38.36
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CC1=CC=CC=C1	REAL300020190719	1	46	-1.0	-44.70	371.43	6.40	-38.30
COCCS(=O)(=O)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190720	0	36	-1.0	-57.38	317.38	-1.23	-58.61
COCCS(=O)(=O)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190720	1	36	-1.0	-57.42	317.45	-1.23	-58.65
O=C(C1CCCN(C2=NC3=CC=CC=C3S2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190721	0	47	-1.0	-43.44	385.83	5.81	-37.63
O=C(C1CCCN(C2=NC3=CC=CC=C3S2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190721	1	47	-1.0	-43.49	385.75	5.80	-37.69
O=C(CC1=CC2=CC=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190722	0	39	-1.0	-53.75	331.07	3.83	-49.92
O=C(CC1=CC2=CC=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190722	1	39	-1.0	-53.73	331.14	3.84	-49.89
CC1=CC2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(=O)N2C=C1	REAL300020190723	0	38	-1.0	-56.63	326.09	4.47	-52.16
CC1=CC2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(=O)N2C=C1	REAL300020190723	1	38	-1.0	-56.60	326.17	4.49	-52.11
O=C(C1=CN=C(C2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190724	0	36	-1.0	-42.86	317.17	4.67	-38.19
O=C(C1=CN=C(C2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190724	1	36	-1.0	-42.84	317.09	4.66	-38.18
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CC1=CC=CC=C1	REAL300020190725	0	49	-1.0	-44.76	392.89	7.16	-37.60
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CC1=CC=CC=C1	REAL300020190725	1	49	-1.0	-44.69	392.96	7.18	-37.51
O=C(CCCN1C(=O)CCC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190726	0	39	-1.0	-52.33	328.97	3.02	-49.31
O=C(CCCN1C(=O)CCC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190726	1	39	-1.0	-52.34	329.05	3.04	-49.30
O=C(CCOC1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190727	0	37	-1.0	-43.78	333.19	4.96	-38.82
O=C(CCOC1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190727	1	37	-1.0	-43.82	333.26	4.98	-38.84
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CS2)O1	REAL300020190728	0	36	-1.0	-41.88	322.20	2.89	-38.99
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CS2)O1	REAL300020190728	1	36	-1.0	-41.87	322.12	2.87	-39.00
O=C(C1=CC(C2=CC=CC(F)=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190729	0	36	-1.0	-39.52	318.36	5.00	-34.52
O=C(C1=CC(C2=CC=CC(F)=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190729	1	36	-1.0	-39.53	318.29	5.00	-34.53
O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190730	0	49	-1.0	-50.76	371.09	4.29	-46.47
O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190730	1	49	-1.0	-50.76	371.17	4.30	-46.46
O=C(CCS(=O)(=O)C1=CC=C2CCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190731	0	46	-1.0	-48.24	386.95	4.49	-43.75
O=C(CCS(=O)(=O)C1=CC=C2CCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190731	1	46	-1.0	-48.28	387.03	4.51	-43.77
O=C(C1=CC2=CC=CC(Br)=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190732	0	33	-1.0	-41.72	305.54	5.09	-36.63
O=C(C1=CC2=CC=CC(Br)=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190732	1	33	-1.0	-41.70	305.61	5.09	-36.61
O=C(C1=NN(C2=CC=CC=C2F)C2=C1CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020190733	0	44	-1.0	-50.54	368.80	7.37	-43.17
O=C(C1=NN(C2=CC=CC=C2F)C2=C1CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020190733	1	44	-1.0	-50.51	368.88	7.37	-43.14
CC(C)CC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190734	0	50	-1.0	-42.39	403.47	8.07	-34.32
CC(C)CC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190734	1	50	-1.0	-42.38	403.54	8.08	-34.30
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020190735	0	38	-1.0	-51.87	337.54	5.01	-46.86
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020190735	1	38	-1.0	-51.89	337.47	4.99	-46.90
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190736	0	45	-1.0	-61.57	386.62	4.28	-57.29
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190736	1	45	-1.0	-61.57	386.69	4.30	-57.27
CCN1CCN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)C1=O	REAL300020190737	0	41	-1.0	-58.36	341.25	3.08	-55.28
CCN1CCN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)C1=O	REAL300020190737	1	41	-1.0	-58.39	341.33	3.10	-55.29
COC1=CC=C2NC=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020190738	0	41	-1.0	-50.45	342.17	4.12	-46.33
COC1=CC=C2NC=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020190738	1	41	-1.0	-50.49	342.25	4.12	-46.37
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O=C(C1CCN(C2=NC=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190739	1	43	-1.0	-40.78	343.35	4.71	-36.07
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020190740	0	44	-1.0	-45.03	363.69	7.67	-37.36
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020190740	1	44	-1.0	-45.00	363.76	7.68	-37.32
O=C(C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190741	0	39	-1.0	-49.98	335.95	6.68	-43.30
O=C(C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190741	1	39	-1.0	-50.00	336.03	6.69	-43.31
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(S(N)(=O)=O)=C(C)O1	REAL300020190742	0	38	-1.0	-50.40	334.32	-1.39	-51.79
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(S(N)(=O)=O)=C(C)O1	REAL300020190742	1	38	-1.0	-50.43	334.40	-1.37	-51.80
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC(C(C)C)=C1	REAL300020190743	0	53	-1.0	-44.94	413.29	9.47	-35.47
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC(C(C)C)=C1	REAL300020190743	1	53	-1.0	-44.94	413.37	9.47	-35.47
CCC1=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020190744	0	40	-1.0	-45.88	345.13	6.48	-39.40
CCC1=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020190744	1	40	-1.0	-45.89	345.20	6.49	-39.40
CC(OC1=CC=C2CCCC2=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190745	0	44	-1.0	-46.77	348.96	7.00	-39.77
CC(OC1=CC=C2CCCC2=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190745	1	44	-1.0	-46.75	349.03	7.00	-39.75
O=C(CCCC1=NC(C2=CC=C(F)C=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190746	0	44	-1.0	-50.32	380.99	5.07	-45.25
O=C(CCCC1=NC(C2=CC=C(F)C=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190746	1	44	-1.0	-50.30	380.92	5.07	-45.23
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CC(OC1=CC=CC(Cl)=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190748	0	37	-1.0	-49.63	333.39	6.06	-43.57
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190748	1	37	-1.0	-49.62	333.46	6.07	-43.55
CC(OC1=CC=C(F)C=C1Br)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190749	0	37	-1.0	-47.12	330.21	5.81	-41.31
CC(OC1=CC=C(F)C=C1Br)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190749	1	37	-1.0	-47.10	330.29	5.81	-41.29
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O=C(CCCC1=NC(C2=CC=CS2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190750	1	41	-1.0	-52.10	365.42	4.00	-48.10
CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1I	REAL300020190751	0	33	-1.0	-43.61	296.27	5.27	-38.34
CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1I	REAL300020190751	1	33	-1.0	-43.59	296.35	5.28	-38.31
CC(C)NS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190752	0	48	-1.0	-48.81	406.67	2.89	-45.92
CC(C)NS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190752	1	48	-1.0	-48.83	406.75	2.90	-45.93
O=C(C=CC1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190753	0	46	-1.0	-48.88	398.82	3.08	-45.80
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CCCNS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190754	0	48	-1.0	-48.73	408.98	3.01	-45.72
CCCNS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190754	1	48	-1.0	-48.80	409.05	3.03	-45.77
COC1=CC(OC)=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=C1OC	REAL300020190755	0	46	-1.0	-45.22	376.46	2.72	-42.50
COC1=CC(OC)=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=C1OC	REAL300020190755	1	46	-1.0	-45.24	376.53	2.73	-42.51
O=C(C1=CC=C(F)C=C1I)N1CCC(C2=N[N-]N=N2)C1	REAL300020190756	0	30	-1.0	-40.34	285.05	4.84	-35.50
O=C(C1=CC=C(F)C=C1I)N1CCC(C2=NN=N[N-]2)C1	REAL300020190756	1	30	-1.0	-40.38	285.12	4.85	-35.53
COC1=CC=CC(COC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190757	0	44	-1.0	-49.78	359.76	4.97	-44.81
COC1=CC=CC(COC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190757	1	44	-1.0	-49.78	359.83	4.98	-44.80
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190758	0	44	-1.0	-52.93	375.16	2.33	-50.60
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190758	1	44	-1.0	-52.94	375.23	2.33	-50.61
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C(C)C)=N1	REAL300020190759	0	38	-1.0	-40.98	318.68	3.60	-37.38
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C(C)C)=N1	REAL300020190759	1	38	-1.0	-40.97	318.76	3.61	-37.36
CCCC1=NC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020190760	0	38	-1.0	-40.98	319.41	3.77	-37.21
CCCC1=NC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020190760	1	38	-1.0	-40.98	319.48	3.78	-37.20
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190761	0	45	-1.0	-50.94	378.82	4.83	-46.11
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190761	1	45	-1.0	-50.95	378.90	4.85	-46.10
N#CC1=CC=CC=C1COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190762	0	45	-1.0	-46.63	378.69	7.24	-39.39
N#CC1=CC=CC=C1COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190762	1	45	-1.0	-46.69	378.76	7.26	-39.43
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1NC(=O)C1=CC=CC=C1F	REAL300020190763	0	47	-1.0	-63.66	384.13	6.49	-57.17
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1NC(=O)C1=CC=CC=C1F	REAL300020190763	1	47	-1.0	-63.70	384.20	6.51	-57.19
O=C(C1=CC=C(N2CCOC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190764	0	39	-1.0	-54.55	318.59	3.63	-50.92
O=C(C1=CC=C(N2CCOC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190764	1	39	-1.0	-54.56	318.66	3.65	-50.91
O=C(C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190765	0	39	-1.0	-45.47	339.13	5.48	-39.99
O=C(C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190765	1	39	-1.0	-45.43	339.05	5.46	-39.97
O=C(C1=CC=CC(N2CCNC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190766	0	40	-1.0	-48.57	322.50	2.29	-46.28
O=C(C1=CC=CC(N2CCNC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190766	1	40	-1.0	-48.61	322.58	2.31	-46.30
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020190767	0	42	-1.0	-48.85	340.08	5.01	-43.84
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020190767	1	42	-1.0	-48.90	340.15	5.02	-43.88
O=C(NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1=CNC(=O)C=C1	REAL300020190768	0	44	-1.0	-55.06	366.31	2.51	-52.55
O=C(NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1=CNC(=O)C=C1	REAL300020190768	1	44	-1.0	-55.13	366.38	2.52	-52.61
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL300020190769	0	43	-1.0	-41.06	341.32	6.81	-34.25
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL300020190769	1	43	-1.0	-41.11	341.40	6.83	-34.28
CC(C)OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020190770	0	39	-1.0	-42.96	319.00	2.16	-40.80
CC(C)OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020190770	1	39	-1.0	-42.94	318.93	2.15	-40.79
O=C(C1=CN=C2NC(=O)NC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190771	0	35	-1.0	-41.93	300.61	-0.94	-42.87
O=C(C1=CN=C2NC(=O)NC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190771	1	35	-1.0	-41.96	300.68	-0.93	-42.89
CC(C)CS(=O)(=O)CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190772	0	41	-1.0	-47.30	342.56	1.82	-45.48
CC(C)CS(=O)(=O)CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190772	1	41	-1.0	-47.31	342.63	1.82	-45.49
O=C(C1=CC(Cl)=C(Br)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190773	0	28	-1.0	-39.17	276.05	2.95	-36.22
O=C(C1=CC(Cl)=C(Br)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190773	1	28	-1.0	-39.15	276.12	2.96	-36.19
O=C(C1CCCCN1S(=O)(=O)C1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190774	0	45	-1.0	-51.00	371.77	3.72	-47.28
O=C(C1CCCCN1S(=O)(=O)C1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190774	1	45	-1.0	-50.94	371.84	3.72	-47.22
C=CCNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020190775	0	42	-1.0	-44.25	358.68	0.87	-43.38
C=CCNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020190775	1	42	-1.0	-44.29	358.75	0.89	-43.40
O=C(C1=CC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190776	0	36	-1.0	-40.04	311.96	4.93	-35.11
O=C(C1=CC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190776	1	36	-1.0	-40.01	311.88	4.92	-35.09
O=C(CC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190777	0	37	-1.0	-44.33	326.74	4.56	-39.77
O=C(CC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190777	1	37	-1.0	-44.31	326.81	4.57	-39.74
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020190778	0	44	-1.0	-44.64	358.36	6.01	-38.63
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020190778	1	44	-1.0	-44.64	358.29	6.00	-38.64
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190779	0	46	-1.0	-49.63	383.47	6.93	-42.70
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190779	1	46	-1.0	-49.69	383.54	6.94	-42.75
N#CC1=CC=C(CSCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190780	0	38	-1.0	-48.39	346.01	6.55	-41.84
N#CC1=CC=C(CSCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190780	1	38	-1.0	-48.41	346.09	6.56	-41.85
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020190781	0	44	-1.0	-54.13	369.15	3.38	-50.75
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020190781	1	44	-1.0	-54.13	369.07	3.38	-50.75
CC1=NN(C(C)(C)C)C2=NC(C(C)C)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190782	0	56	-1.0	-43.83	432.78	7.19	-36.64
CC1=NN(C(C)(C)C)C2=NC(C(C)C)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190782	1	56	-1.0	-43.83	432.86	7.19	-36.64
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300020190783	0	38	-1.0	-44.91	315.14	2.97	-41.94
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300020190783	1	38	-1.0	-44.90	315.21	2.98	-41.92
O=C(C1=CC(OCC(F)(F)F)=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020190784	0	39	-1.0	-54.42	350.09	5.96	-48.46
O=C(C1=CC(OCC(F)(F)F)=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020190784	1	39	-1.0	-54.48	350.16	5.97	-48.51
O=C(C1=CC=CC(N2CCOC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190785	0	39	-1.0	-52.37	316.68	3.57	-48.80
O=C(C1=CC=CC(N2CCOC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190785	1	39	-1.0	-52.36	316.75	3.58	-48.78
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C(C)(C)C	REAL300020190786	0	42	-1.0	-44.13	322.88	3.63	-40.50
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C(C)(C)C	REAL300020190786	1	42	-1.0	-44.16	322.96	3.65	-40.51
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020190787	0	40	-1.0	-48.13	330.29	5.35	-42.78
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020190787	1	40	-1.0	-48.15	330.36	5.36	-42.79
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190788	0	46	-1.0	-50.78	379.85	6.97	-43.81
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190788	1	46	-1.0	-50.78	379.93	6.98	-43.80
O=C(CS(=O)(=O)C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190789	0	39	-1.0	-58.81	325.63	1.64	-57.17
O=C(CS(=O)(=O)C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190789	1	39	-1.0	-58.84	325.70	1.64	-57.20
CCOC1=CC=CC2=C1OCC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020190790	0	43	-1.0	-44.75	357.19	5.16	-39.59
CCOC1=CC=CC2=C1OCC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020190790	1	43	-1.0	-44.73	357.27	5.18	-39.55
CC1=C(C2=CC=C(F)C=C2)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)S1	REAL300020190791	0	43	-1.0	-49.19	372.56	6.14	-43.05
CC1=C(C2=CC=C(F)C=C2)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)S1	REAL300020190791	1	43	-1.0	-49.20	372.63	6.16	-43.04
O=C(C1=CC([N+](=O)[O-])=CC=C1OC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190792	0	43	-1.0	-45.38	371.23	7.82	-37.56
O=C(C1=CC([N+](=O)[O-])=CC=C1OC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190792	1	43	-1.0	-45.40	371.30	7.82	-37.58
COC1=CC=CC=C1C1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190793	0	41	-1.0	-44.15	339.44	3.69	-40.46
COC1=CC=CC=C1C1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190793	1	41	-1.0	-44.15	339.51	3.69	-40.46
COC1=CC=C(C2=NNC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C(OC)=C1	REAL300020190794	0	45	-1.0	-44.40	368.86	2.98	-41.42
COC1=CC=C(C2=NNC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C(OC)=C1	REAL300020190794	1	45	-1.0	-44.48	368.94	2.98	-41.50
O=C(C1=CC(C2=CC=CS2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190795	0	34	-1.0	-41.71	304.40	3.22	-38.49
O=C(C1=CC(C2=CC=CS2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190795	1	34	-1.0	-41.68	304.47	3.23	-38.45
COC1=CC(C#N)=CC=C1OCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190796	0	45	-1.0	-51.42	382.13	5.47	-45.95
COC1=CC(C#N)=CC=C1OCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190796	1	45	-1.0	-51.45	382.21	5.48	-45.97
COCCOC(=O)C1=C(C)NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020190797	0	47	-1.0	-46.96	388.96	4.02	-42.94
COCCOC(=O)C1=C(C)NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020190797	1	47	-1.0	-46.95	389.03	4.03	-42.92
CC(NC(=O)C1=CC=CC(Cl)=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190798	0	40	-1.0	-43.30	360.11	4.10	-39.20
CC(NC(=O)C1=CC=CC(Cl)=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190798	1	40	-1.0	-43.36	360.19	4.11	-39.25
O=C(C1=CC2=CC([N+](=O)[O-])=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190799	0	35	-1.0	-41.17	312.39	5.14	-36.03
O=C(C1=CC2=CC([N+](=O)[O-])=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190799	1	35	-1.0	-41.18	312.47	5.16	-36.02
CCC(OC1=CC=CC=C1C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190800	0	43	-1.0	-45.85	337.98	6.32	-39.53
CCC(OC1=CC=CC=C1C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190800	1	43	-1.0	-45.92	338.06	6.33	-39.59
O=C(C1=CC(C2=CC=C3OCOC3=C2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190801	0	40	-1.0	-43.58	338.19	2.76	-40.82
O=C(C1=CC(C2=CC=C3OCOC3=C2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190801	1	40	-1.0	-43.54	338.26	2.77	-40.77
CCOC1=CC=CC=C1C1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190802	0	44	-1.0	-44.01	361.29	4.61	-39.40
CCOC1=CC=CC=C1C1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190802	1	44	-1.0	-44.03	361.37	4.62	-39.41
O=C(CC1=CC=C(N2C=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190803	0	40	-1.0	-49.57	339.17	5.98	-43.59
O=C(CC1=CC=C(N2C=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190803	1	40	-1.0	-49.55	339.10	5.97	-43.58
O=C(CCCOC1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020190804	0	46	-1.0	-48.66	377.14	7.50	-41.16
O=C(CCCOC1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020190804	1	46	-1.0	-48.68	377.21	7.51	-41.17
CC1=NN(C(C)(C)C)C2=NC(C3CC3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020190805	0	54	-1.0	-43.85	422.43	7.40	-36.45
CC1=NN(C(C)(C)C)C2=NC(C3CC3)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020190805	1	54	-1.0	-43.86	422.50	7.42	-36.44
CC(C)(C)N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020190806	0	42	-1.0	-43.96	333.44	3.87	-40.09
CC(C)(C)N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020190806	1	42	-1.0	-43.96	333.36	3.87	-40.09
COC1=CC=C2C(=C1)C=CN2CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190807	0	41	-1.0	-49.49	343.43	5.50	-43.99
COC1=CC=C2C(=C1)C=CN2CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190807	1	41	-1.0	-49.48	343.50	5.50	-43.98
O=C(C1=CC2=C(Cl)C(Cl)=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190808	0	34	-1.0	-42.99	316.08	5.05	-37.94
O=C(C1=CC2=C(Cl)C(Cl)=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190808	1	34	-1.0	-43.02	316.15	5.06	-37.96
CC(OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1)C1=CC=CC=C1	REAL300020190809	0	46	-1.0	-43.61	378.04	5.19	-38.42
CC(OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1)C1=CC=CC=C1	REAL300020190809	1	46	-1.0	-43.59	377.96	5.18	-38.41
CC1=CC=C(C)N1C1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020190810	0	43	-1.0	-51.31	362.68	7.13	-44.18
CC1=CC=C(C)N1C1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020190810	1	43	-1.0	-51.35	362.75	7.14	-44.21
O=C(CCSC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020190811	0	37	-1.0	-42.88	340.11	6.60	-36.28
O=C(CCSC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020190811	1	37	-1.0	-42.89	340.18	6.60	-36.29
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020190812	0	39	-1.0	-43.09	322.47	6.39	-36.70
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020190812	1	39	-1.0	-43.09	322.55	6.39	-36.70
COC1=CC(C(C)=O)=CC=C1OCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190813	0	49	-1.0	-55.36	403.97	5.56	-49.80
COC1=CC(C(C)=O)=CC=C1OCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190813	1	49	-1.0	-55.35	404.05	5.58	-49.77
CC(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020190814	0	40	-1.0	-56.80	323.87	3.31	-53.49
CC(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020190814	1	40	-1.0	-56.81	323.94	3.32	-53.49
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C(C)(C)C	REAL300020190815	0	42	-1.0	-45.65	330.43	4.24	-41.41
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C(C)(C)C	REAL300020190815	1	42	-1.0	-45.65	330.50	4.25	-41.40
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300020190816	0	44	-1.0	-53.20	369.27	3.38	-49.82
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300020190816	1	44	-1.0	-53.22	369.34	3.39	-49.83
CC1=C(C(=O)NC2=NC(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=CO1	REAL300020190817	0	43	-1.0	-51.51	377.94	3.82	-47.69
CC1=C(C(=O)NC2=NC(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=CO1	REAL300020190817	1	43	-1.0	-51.49	377.87	3.81	-47.68
CC(C)CS(=O)(=O)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190818	0	38	-1.0	-58.32	320.45	1.27	-57.05
CC(C)CS(=O)(=O)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190818	1	38	-1.0	-58.34	320.53	1.28	-57.06
O=C(CCS(=O)(=O)C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190819	0	42	-1.0	-47.02	347.76	2.16	-44.86
O=C(CCS(=O)(=O)C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190819	1	42	-1.0	-47.04	347.83	2.17	-44.87
N#CC1=CC=C(CS(=O)(=O)CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190820	0	40	-1.0	-63.28	364.49	3.11	-60.17
N#CC1=CC=C(CS(=O)(=O)CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190820	1	40	-1.0	-63.24	364.56	3.12	-60.12
CC(C)C1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190821	0	43	-1.0	-44.09	359.43	7.17	-36.92
CC(C)C1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190821	1	43	-1.0	-44.15	359.51	7.18	-36.97
O=C(C1=C(Br)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190822	0	27	-1.0	-42.74	260.02	3.35	-39.39
O=C(C1=C(Br)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190822	1	27	-1.0	-42.79	260.09	3.35	-39.44
O=C(C1=CC2=CC(Cl)=C(Cl)C=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190823	0	34	-1.0	-40.23	316.15	5.06	-35.17
O=C(C1=CC2=CC(Cl)=C(Cl)C=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190823	1	34	-1.0	-40.25	316.23	5.08	-35.17
O=C(C1=NC(N2CCCC2)=NC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020190824	0	40	-1.0	-40.36	336.91	4.91	-35.45
O=C(C1=NC(N2CCCC2)=NC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020190824	1	40	-1.0	-40.34	336.84	4.90	-35.44
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190825	0	45	-1.0	-45.86	364.10	7.92	-37.94
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190825	1	45	-1.0	-45.94	364.17	7.92	-38.02
O=C(C1=CC=C(C2=CC=CC=C2)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190826	0	40	-1.0	-54.47	338.98	4.40	-50.07
O=C(C1=CC=C(C2=CC=CC=C2)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190826	1	40	-1.0	-54.45	338.90	4.39	-50.06
O=C(NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1)C1=CC=NC=C1	REAL300020190827	0	40	-1.0	-42.90	342.91	3.22	-39.68
O=C(NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1)C1=CC=NC=C1	REAL300020190827	1	40	-1.0	-42.87	342.84	3.19	-39.68
CC1=NN(C)C2=NC(C)=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C(C)=C12	REAL300020190828	0	47	-1.0	-50.96	375.47	5.33	-45.63
CC1=NN(C)C2=NC(C)=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C(C)=C12	REAL300020190828	1	47	-1.0	-50.98	375.54	5.34	-45.64
O=C(CCN1C2=C(C=CC=C2)C2=C1C=CC=C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020190829	0	46	-1.0	-43.78	380.93	8.83	-34.95
O=C(CCN1C2=C(C=CC=C2)C2=C1C=CC=C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020190829	1	46	-1.0	-43.80	381.00	8.85	-34.95
CC(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190830	0	42	-1.0	-48.48	349.68	2.61	-45.87
CC(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190830	1	42	-1.0	-48.52	349.75	2.63	-45.89
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300020190831	0	33	-1.0	-37.79	303.74	5.18	-32.61
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300020190831	1	33	-1.0	-37.76	303.81	5.20	-32.56
O=C(C1=CC2=C(CCC2)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190832	0	37	-1.0	-56.31	310.28	2.70	-53.61
O=C(C1=CC2=C(CCC2)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190832	1	37	-1.0	-56.32	310.36	2.71	-53.61
O=C(C(OC1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190833	0	44	-1.0	-47.65	359.41	7.85	-39.80
O=C(C(OC1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190833	1	44	-1.0	-47.68	359.48	7.86	-39.82
O=C(CN1CCCCCCC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190834	0	43	-1.0	-48.80	325.42	4.62	-44.18
O=C(CN1CCCCCCC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190834	1	43	-1.0	-48.78	325.49	4.64	-44.14
CN1C(=O)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020190835	0	39	-1.0	-45.13	327.45	4.65	-40.48
CN1C(=O)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020190835	1	39	-1.0	-45.18	327.52	4.66	-40.52
CC1=NN(C(C)CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020190836	0	42	-1.0	-41.70	341.31	4.46	-37.24
CC1=NN(C(C)CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020190836	1	42	-1.0	-41.72	341.38	4.47	-37.25
COC(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020190837	0	35	-1.0	-42.97	305.50	3.34	-39.63
COC(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020190837	1	35	-1.0	-42.98	305.43	3.32	-39.66
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190838	0	46	-1.0	-49.35	393.79	7.38	-41.97
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190838	1	46	-1.0	-49.32	393.86	7.39	-41.93
O=C(CC1=NN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190839	0	39	-1.0	-53.42	334.42	4.58	-48.84
O=C(CC1=NN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190839	1	39	-1.0	-53.42	334.49	4.59	-48.83
O=C(CC1NC(=O)N(C2=CC=C(F)C=C2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190840	0	42	-1.0	-43.14	355.84	3.04	-40.10
O=C(CC1NC(=O)N(C2=CC=C(F)C=C2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190840	1	42	-1.0	-43.08	355.91	3.04	-40.04
O=C(C1=CC=C(N2C=CNC2=S)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190841	0	38	-1.0	-59.61	330.99	6.23	-53.38
O=C(C1=CC=C(N2C=CNC2=S)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190841	1	38	-1.0	-59.63	331.07	6.24	-53.39
COC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020190842	0	45	-1.0	-45.96	378.34	5.41	-40.55
COC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020190842	1	45	-1.0	-45.95	378.41	5.41	-40.54
CC1=NN=NN1C(CC1=CC=CC(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190843	0	44	-1.0	-54.82	370.19	5.10	-49.72
CC1=NN=NN1C(CC1=CC=CC(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190843	1	44	-1.0	-54.79	370.26	5.10	-49.69
CCCCCCCCCCCCCCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190844	0	68	-1.0	-42.91	521.69	12.70	-30.21
CCCCCCCCCCCCCCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190844	1	68	-1.0	-42.89	521.77	12.71	-30.18
CCCCCCCCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190845	0	50	-1.0	-42.80	392.70	8.01	-34.79
CCCCCCCCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190845	1	50	-1.0	-42.77	392.78	8.03	-34.74
COC(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190846	0	36	-1.0	-44.24	304.83	4.22	-40.02
COC(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190846	1	36	-1.0	-44.26	304.90	4.23	-40.03
CC(NC(=O)C1CCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190847	0	43	-1.0	-40.89	342.13	2.77	-38.12
CC(NC(=O)C1CCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190847	1	43	-1.0	-40.89	342.21	2.78	-38.11
O=C(CCCCC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190848	0	42	-1.0	-43.46	366.43	7.76	-35.70
O=C(CCCCC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190848	1	42	-1.0	-43.44	366.50	7.77	-35.67
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190849	0	43	-1.0	-44.97	358.11	2.97	-42.00
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190849	1	43	-1.0	-44.97	358.18	2.97	-42.00
CC1=CC=C(C2=NNC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020190850	0	37	-1.0	-43.11	317.18	3.05	-40.06
CC1=CC=C(C2=NNC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020190850	1	37	-1.0	-43.13	317.25	3.05	-40.08
O=C(CCCOC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020190851	0	40	-1.0	-48.70	352.51	5.84	-42.86
O=C(CCCOC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020190851	1	40	-1.0	-48.74	352.58	5.85	-42.89
COC1=CC=CC(CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)N2N=NN=C2C)=C1	REAL300020190852	0	48	-1.0	-47.14	392.03	4.27	-42.87
COC1=CC=CC(CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)N2N=NN=C2C)=C1	REAL300020190852	1	48	-1.0	-47.09	392.11	4.28	-42.81
CC1=NN=NN1C(CC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190853	0	44	-1.0	-47.82	369.09	5.04	-42.78
CC1=NN=NN1C(CC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190853	1	44	-1.0	-47.84	369.16	5.06	-42.78
O=C(C1=NN(CC2=CC=CC=C2)C(=O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190854	0	44	-1.0	-40.44	364.99	5.28	-35.16
O=C(C1=NN(CC2=CC=CC=C2)C(=O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190854	1	44	-1.0	-40.43	365.06	5.30	-35.13
O=C(NCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CS1	REAL300020190855	0	44	-1.0	-47.45	380.07	4.69	-42.76
O=C(NCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CS1	REAL300020190855	1	44	-1.0	-47.42	380.14	4.71	-42.71
CC1=C(S(=O)(=O)N2CCCC2)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020190856	0	45	-1.0	-47.92	376.38	1.90	-46.02
CC1=C(S(=O)(=O)N2CCCC2)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020190856	1	45	-1.0	-47.91	376.45	1.90	-46.01
CC(C)(C)N1C=C(C(=O)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020190857	0	41	-1.0	-41.53	338.45	3.67	-37.86
CC(C)(C)N1C=C(C(=O)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020190857	1	41	-1.0	-41.55	338.52	3.68	-37.87
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=C2NC=NC2=NC=N1	REAL300020190858	0	39	-1.0	-49.20	322.29	3.56	-45.64
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=C2NC=NC2=NC=N1	REAL300020190858	1	39	-1.0	-49.17	322.37	3.57	-45.60
O=C(C1=C(Cl)N=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020190859	0	33	-1.0	-45.33	303.45	4.70	-40.63
O=C(C1=C(Cl)N=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020190859	1	33	-1.0	-45.35	303.38	4.70	-40.65
O=C(C1=NC(N2CCOCC2)=NC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020190860	0	41	-1.0	-40.30	345.00	3.40	-36.90
O=C(C1=NC(N2CCOCC2)=NC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020190860	1	41	-1.0	-40.29	344.93	3.38	-36.91
O=C(C1=NC(NCC2=CC=CO2)=NC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020190861	0	40	-1.0	-41.95	356.80	5.50	-36.45
O=C(C1=NC(NCC2=CC=CO2)=NC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020190861	1	40	-1.0	-41.94	356.73	5.49	-36.45
COC1=CC(N2C=NN=N2)=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190862	0	39	-1.0	-50.29	343.00	4.58	-45.71
COC1=CC(N2C=NN=N2)=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190862	1	39	-1.0	-50.32	342.93	4.57	-45.75
O=C(CCCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190863	0	39	-1.0	-45.14	340.36	6.87	-38.27
O=C(CCCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190863	1	39	-1.0	-45.10	340.44	6.89	-38.21
O=C(CCOC1=CC=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020190864	0	37	-1.0	-41.49	333.04	5.02	-36.47
O=C(CCOC1=CC=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020190864	1	37	-1.0	-41.49	333.11	5.04	-36.45
O=C(CCOC1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020190865	0	37	-1.0	-42.50	343.35	5.48	-37.02
O=C(CCOC1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020190865	1	37	-1.0	-42.50	343.42	5.49	-37.01
CC(C)C(=O)NC1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020190866	0	42	-1.0	-50.32	360.41	3.38	-46.94
CC(C)C(=O)NC1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020190866	1	42	-1.0	-50.30	360.48	3.38	-46.92
O=C(C1=CC=CC(CS(=O)(=O)C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190867	0	46	-1.0	-55.29	392.10	5.02	-50.27
O=C(C1=CC=CC(CS(=O)(=O)C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190867	1	46	-1.0	-55.27	392.18	5.02	-50.25
O=C(C1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190868	0	43	-1.0	-46.55	356.20	5.07	-41.48
O=C(C1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190868	1	43	-1.0	-46.51	356.13	5.05	-41.46
O=C(C1=CC=C(OC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190869	0	40	-1.0	-44.72	336.25	4.00	-40.72
O=C(C1=CC=C(OC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190869	1	40	-1.0	-44.72	336.17	4.00	-40.72
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C(C)(C)C	REAL300020190870	0	45	-1.0	-44.28	339.66	4.20	-40.08
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C(C)(C)C	REAL300020190870	1	45	-1.0	-44.31	339.73	4.20	-40.11
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC(Br)=C1	REAL300020190871	0	30	-1.0	-38.77	276.94	3.47	-35.30
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC(Br)=C1	REAL300020190871	1	30	-1.0	-38.80	277.01	3.48	-35.32
O=C(CCCN1C=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020190872	0	42	-1.0	-52.76	350.97	7.14	-45.62
O=C(CCCN1C=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020190872	1	42	-1.0	-52.78	351.04	7.16	-45.62
O=C(CSCC1=COC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190873	0	43	-1.0	-51.55	381.90	4.56	-46.99
O=C(CSCC1=COC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190873	1	43	-1.0	-51.54	381.82	4.55	-46.99
CCCCS(=O)(=O)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190874	0	47	-1.0	-60.03	384.21	2.84	-57.19
CCCCS(=O)(=O)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190874	1	47	-1.0	-60.06	384.29	2.85	-57.21
CCCCS(=O)(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020190875	0	50	-1.0	-54.34	400.72	3.07	-51.27
CCCCS(=O)(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020190875	1	50	-1.0	-54.30	400.80	3.08	-51.22
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190876	0	44	-1.0	-51.46	360.99	6.33	-45.13
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190876	1	44	-1.0	-51.42	361.06	6.34	-45.08
CC(C)(C)N1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1CC1	REAL300020190877	0	46	-1.0	-45.39	361.35	5.67	-39.72
CC(C)(C)N1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1CC1	REAL300020190877	1	46	-1.0	-45.43	361.42	5.69	-39.74
O=C(C1=C(Cl)C2=CC=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190878	0	34	-1.0	-43.44	299.02	4.62	-38.82
O=C(C1=C(Cl)C2=CC=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190878	1	34	-1.0	-43.44	299.09	4.64	-38.80
O=C(C1=C(Cl)C2=CC(Br)=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190879	0	34	-1.0	-42.33	320.29	5.25	-37.08
O=C(C1=C(Cl)C2=CC(Br)=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190879	1	34	-1.0	-42.33	320.36	5.26	-37.07
O=C(C1=C(Cl)C2=CC(F)=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190880	0	34	-1.0	-43.31	305.18	4.68	-38.63
O=C(C1=C(Cl)C2=CC(F)=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190880	1	34	-1.0	-43.30	305.25	4.69	-38.61
O=C(CN1CCCS1(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190881	0	35	-1.0	-53.87	303.15	-0.46	-54.33
O=C(CN1CCCS1(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190881	1	35	-1.0	-53.89	303.23	-0.46	-54.35
CC(SCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190882	0	40	-1.0	-45.56	339.63	6.55	-39.01
CC(SCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190882	1	40	-1.0	-45.58	339.71	6.57	-39.01
CCCOC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190883	0	40	-1.0	-42.96	322.88	4.58	-38.38
CCCOC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190883	1	40	-1.0	-42.93	322.96	4.60	-38.33
O=C(CC1=CSC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020190884	0	36	-1.0	-45.87	317.07	6.13	-39.74
O=C(CC1=CSC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020190884	1	36	-1.0	-45.87	317.15	6.14	-39.73
O=C(COC1=CC=C(Cl)C=C1C1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190885	0	50	-1.0	-46.05	406.62	9.06	-36.99
O=C(COC1=CC=C(Cl)C=C1C1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190885	1	50	-1.0	-46.06	406.70	9.06	-37.00
O=C(C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190886	0	44	-1.0	-40.83	371.40	5.35	-35.48
O=C(C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190886	1	44	-1.0	-40.81	371.47	5.37	-35.44
O=C(C1CCCC(C(F)(F)F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190887	0	39	-1.0	-36.49	318.33	5.11	-31.38
O=C(C1CCCC(C(F)(F)F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190887	1	39	-1.0	-36.48	318.41	5.12	-31.36
O=C(C1CC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190888	0	38	-1.0	-52.50	319.23	5.26	-47.24
O=C(C1CC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190888	1	38	-1.0	-52.52	319.30	5.27	-47.25
O=C(C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020190889	0	44	-1.0	-44.82	372.58	7.25	-37.57
O=C(C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020190889	1	44	-1.0	-44.81	372.66	7.26	-37.55
O=C(C1=CC2=C(C=CC=C2)C2=C1N=CC=C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020190890	0	41	-1.0	-51.78	338.36	6.49	-45.29
O=C(C1=CC2=C(C=CC=C2)C2=C1N=CC=C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020190890	1	41	-1.0	-51.78	338.29	6.48	-45.30
O=C(C1=CN(C2=CC=C(Cl)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190891	0	37	-1.0	-43.41	327.63	5.32	-38.09
O=C(C1=CN(C2=CC=C(Cl)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190891	1	37	-1.0	-43.40	327.56	5.31	-38.09
O=C(C1=CC2=CC=CC=C2N1CC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020190892	0	47	-1.0	-48.66	379.09	9.06	-39.60
O=C(C1=CC2=CC=CC=C2N1CC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020190892	1	47	-1.0	-48.66	379.16	9.06	-39.60
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC(=O)NC(C)C	REAL300020190893	0	51	-1.0	-52.30	411.28	3.81	-48.49
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC(=O)NC(C)C	REAL300020190893	1	51	-1.0	-52.28	411.36	3.83	-48.45
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190894	0	49	-1.0	-45.43	382.85	7.70	-37.73
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190894	1	49	-1.0	-45.45	382.93	7.71	-37.74
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190895	0	49	-1.0	-38.30	379.30	7.38	-30.92
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190895	1	49	-1.0	-38.32	379.37	7.40	-30.92
CC1=CC=C(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020190896	0	40	-1.0	-48.29	344.77	6.38	-41.91
CC1=CC=C(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020190896	1	40	-1.0	-48.27	344.84	6.40	-41.87
CC1=CC(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(C)C	REAL300020190897	0	49	-1.0	-45.98	379.92	7.49	-38.49
CC1=CC(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(C)C	REAL300020190897	1	49	-1.0	-45.98	380.00	7.49	-38.49
CC(C)OC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190898	0	44	-1.0	-44.32	359.05	6.08	-38.24
CC(C)OC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190898	1	44	-1.0	-44.37	359.12	6.10	-38.27
CCCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190899	0	44	-1.0	-44.18	362.65	6.26	-37.92
CCCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190899	1	44	-1.0	-44.14	362.73	6.27	-37.87
O=C(C1=CN(C2=CC=C(Br)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190900	0	37	-1.0	-43.29	332.19	5.42	-37.87
O=C(C1=CN(C2=CC=C(Br)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190900	1	37	-1.0	-43.22	332.12	5.42	-37.80
O=C(CC(F)(F)F)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190901	0	33	-1.0	-44.34	297.11	0.66	-43.68
O=C(CC(F)(F)F)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190901	1	33	-1.0	-44.37	297.18	0.68	-43.69
CC1=NN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1Cl	REAL300020190902	0	36	-1.0	-48.07	319.64	3.67	-44.40
CC1=NN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1Cl	REAL300020190902	1	36	-1.0	-48.11	319.71	3.68	-44.43
COCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300020190903	0	40	-1.0	-47.06	338.21	3.35	-43.71
COCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300020190903	1	40	-1.0	-47.05	338.28	3.35	-43.70
CC1=NN(C(C)(C)C)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190904	0	45	-1.0	-43.82	356.34	4.58	-39.24
CC1=NN(C(C)(C)C)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190904	1	45	-1.0	-43.80	356.41	4.60	-39.20
O=C(CCC1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190905	0	33	-1.0	-41.70	309.40	5.28	-36.42
O=C(CCC1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190905	1	33	-1.0	-41.68	309.48	5.29	-36.39
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(C)(=O)=O	REAL300020190906	0	39	-1.0	-55.70	322.18	1.70	-54.00
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(C)(=O)=O	REAL300020190906	1	39	-1.0	-55.71	322.25	1.71	-54.00
O=C(CC1=CC=CC(F)=C1)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190907	0	40	-1.0	-44.33	346.11	3.29	-41.04
O=C(CC1=CC=CC(F)=C1)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190907	1	40	-1.0	-44.32	346.19	3.31	-41.01
CC(C)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190908	0	45	-1.0	-42.33	362.34	7.51	-34.82
CC(C)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190908	1	45	-1.0	-42.30	362.42	7.52	-34.78
O=C(COC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190909	0	37	-1.0	-46.28	328.37	5.68	-40.60
O=C(COC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190909	1	37	-1.0	-46.29	328.44	5.69	-40.60
CCOC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC=C2)=C1	REAL300020190910	0	44	-1.0	-48.23	369.83	7.69	-40.54
CCOC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2)=C1	REAL300020190910	1	44	-1.0	-48.25	369.91	7.69	-40.56
O=C(CCN1CCCS1(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190911	0	38	-1.0	-53.88	324.38	0.10	-53.78
O=C(CCN1CCCS1(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190911	1	38	-1.0	-53.91	324.46	0.11	-53.80
O=C(CC1=CSC(C2=NC=CC=N2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190912	0	37	-1.0	-57.48	336.09	3.07	-54.41
O=C(CC1=CSC(C2=NC=CC=N2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190912	1	37	-1.0	-57.51	336.17	3.08	-54.43
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=NC=CC=N2)=N1	REAL300020190913	0	37	-1.0	-46.54	326.02	2.66	-43.88
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=NC=CC=N2)=N1	REAL300020190913	1	37	-1.0	-46.53	326.10	2.66	-43.87
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC1CCCC1	REAL300020190914	0	48	-1.0	-45.25	373.21	5.64	-39.61
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC1CCCC1	REAL300020190914	1	48	-1.0	-45.29	373.28	5.65	-39.64
CC(SC1=NN=CN1C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190915	0	36	-1.0	-45.90	311.32	5.03	-40.87
CC(SC1=NN=CN1C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190915	1	36	-1.0	-45.91	311.24	5.01	-40.90
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190916	0	37	-1.0	-45.96	335.29	6.08	-39.88
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190916	1	37	-1.0	-45.99	335.37	6.08	-39.91
COC1=CC=C(COCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190917	0	41	-1.0	-49.03	344.71	4.49	-44.54
COC1=CC=C(COCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190917	1	41	-1.0	-49.06	344.78	4.49	-44.57
CN1C=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=N1	REAL300020190918	0	36	-1.0	-47.41	324.66	3.03	-44.38
CN1C=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=N1	REAL300020190918	1	36	-1.0	-47.39	324.59	3.02	-44.37
O=C(CN1C=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190919	0	30	-1.0	-50.14	282.69	2.78	-47.36
O=C(CN1C=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190919	1	30	-1.0	-50.05	282.61	2.77	-47.28
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC=C2)=C1	REAL300020190920	0	41	-1.0	-48.04	347.98	6.77	-41.27
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2)=C1	REAL300020190920	1	41	-1.0	-48.03	348.06	6.78	-41.25
CC(NC(=O)C1=COC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190921	0	37	-1.0	-44.39	316.53	1.13	-43.26
CC(NC(=O)C1=COC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190921	1	37	-1.0	-44.46	316.61	1.14	-43.32
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC(C)=C1C(C)=O	REAL300020190922	0	45	-1.0	-46.30	365.71	5.27	-41.03
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC(C)=C1C(C)=O	REAL300020190922	1	45	-1.0	-46.34	365.79	5.27	-41.07
CC1=CC(C)=C(C(=O)CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020190923	0	50	-1.0	-51.46	406.70	8.09	-43.37
CC1=CC(C)=C(C(=O)CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020190923	1	50	-1.0	-51.51	406.78	8.10	-43.41
CC1=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2)=CC(C)=C1	REAL300020190924	0	46	-1.0	-43.68	356.94	7.22	-36.46
CC1=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2)=CC(C)=C1	REAL300020190924	1	46	-1.0	-43.69	357.01	7.23	-36.46
CC1=C(C)C2=C(SCCC(=O)N3CCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020190925	0	44	-1.0	-48.85	383.30	6.55	-42.30
CC1=C(C)C2=C(SCCC(=O)N3CCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020190925	1	44	-1.0	-48.83	383.37	6.57	-42.26
CCN1C(=O)NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2C1=O	REAL300020190926	0	42	-1.0	-44.74	345.97	3.09	-41.65
CCN1C(=O)NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2C1=O	REAL300020190926	1	42	-1.0	-44.77	346.05	3.10	-41.67
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020190927	0	33	-1.0	-50.03	289.46	2.41	-47.62
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=N1	REAL300020190927	1	33	-1.0	-50.01	289.39	2.39	-47.62
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020190928	0	39	-1.0	-51.63	340.08	2.77	-48.86
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020190928	1	39	-1.0	-51.64	340.16	2.79	-48.85
O=C(C1=C2NC(=O)C3=CC=CC=C3N2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190929	0	39	-1.0	-48.49	328.11	3.49	-45.00
O=C(C1=C2NC(=O)C3=CC=CC=C3N2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190929	1	39	-1.0	-48.51	328.18	3.52	-44.99
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190930	0	44	-1.0	-46.70	358.03	5.41	-41.29
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190930	1	44	-1.0	-46.68	358.11	5.42	-41.26
CC(SC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190931	0	37	-1.0	-43.10	336.32	6.21	-36.89
CC(SC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190931	1	37	-1.0	-43.12	336.40	6.23	-36.89
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020190932	0	39	-1.0	-46.91	336.61	5.84	-41.07
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020190932	1	39	-1.0	-46.95	336.68	5.85	-41.10
CCOC1=CC=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020190933	0	41	-1.0	-42.66	335.60	4.32	-38.34
CCOC1=CC=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020190933	1	41	-1.0	-42.69	335.67	4.34	-38.35
CC1=CC(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020190934	0	40	-1.0	-45.12	338.83	6.21	-38.91
CC1=CC(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020190934	1	40	-1.0	-45.07	338.90	6.22	-38.85
CC1=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)=CC(C)=C1	REAL300020190935	0	43	-1.0	-45.26	346.10	6.92	-38.34
CC1=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)=CC(C)=C1	REAL300020190935	1	43	-1.0	-45.28	346.18	6.93	-38.35
CCC(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190936	0	40	-1.0	-47.52	326.36	3.27	-44.25
CCC(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190936	1	40	-1.0	-47.56	326.43	3.28	-44.28
CC(=O)NC1=C(C)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190937	0	40	-1.0	-52.65	324.66	5.57	-47.08
CC(=O)NC1=C(C)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190937	1	40	-1.0	-52.62	324.73	5.58	-47.04
O=C(CCCOCCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190938	0	46	-1.0	-46.02	379.14	6.42	-39.60
O=C(CCCOCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190938	1	46	-1.0	-46.05	379.22	6.43	-39.62
CCC(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020190939	0	43	-1.0	-47.92	337.58	3.77	-44.15
CCC(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020190939	1	43	-1.0	-47.92	337.66	3.78	-44.14
CCCS(=O)(=O)N1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190940	0	47	-1.0	-47.06	368.04	3.13	-43.93
CCCS(=O)(=O)N1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190940	1	47	-1.0	-47.10	368.11	3.15	-43.95
CCC(=O)N1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190941	0	43	-1.0	-54.50	331.43	5.03	-49.47
CCC(=O)N1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190941	1	43	-1.0	-54.53	331.50	5.05	-49.48
O=C(C1CC(C2=CC=C(Cl)C=C2Cl)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190942	0	38	-1.0	-50.46	350.61	6.49	-43.97
O=C(C1CC(C2=CC=C(Cl)C=C2Cl)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190942	1	38	-1.0	-50.47	350.68	6.49	-43.98
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190943	0	49	-1.0	-46.16	383.42	7.74	-38.42
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190943	1	49	-1.0	-46.16	383.49	7.75	-38.41
CC1=CC=C(Cl)C(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190944	0	40	-1.0	-48.07	340.83	6.30	-41.77
CC1=CC=C(Cl)C(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190944	1	40	-1.0	-48.05	340.90	6.31	-41.74
CC(C)C1=CC(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1	REAL300020190945	0	46	-1.0	-38.30	363.33	6.97	-31.33
CC(C)C1=CC(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1	REAL300020190945	1	46	-1.0	-38.32	363.40	6.98	-31.34
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NC2=CC=CC=C12	REAL300020190946	0	38	-1.0	-44.45	313.86	5.43	-39.02
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C12	REAL300020190946	1	38	-1.0	-44.51	313.94	5.44	-39.07
CC1=CC(C)=CC(C(=O)N2CCCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)=C1	REAL300020190947	0	53	-1.0	-46.40	415.28	7.04	-39.36
CC1=CC(C)=CC(C(=O)N2CCCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)=C1	REAL300020190947	1	53	-1.0	-46.36	415.35	7.06	-39.30
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020190948	0	41	-1.0	-48.14	357.42	0.81	-47.33
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190948	1	41	-1.0	-48.12	357.49	0.81	-47.31
COC1=CC=C2OC(C)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020190949	0	40	-1.0	-47.51	338.84	4.42	-43.09
COC1=CC=C2OC(C)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020190949	1	40	-1.0	-47.48	338.91	4.42	-43.06
O=C(C1=NOC(C2=CC=NC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190950	0	35	-1.0	-41.28	307.00	3.47	-37.81
O=C(C1=NOC(C2=CC=NC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190950	1	35	-1.0	-41.26	307.07	3.48	-37.78
CC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020190951	0	43	-1.0	-54.47	324.02	3.35	-51.12
CC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020190951	1	43	-1.0	-54.46	324.10	3.36	-51.10
O=C(C1=CC=C(C2=CN=CO2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190952	0	36	-1.0	-47.04	304.44	1.97	-45.07
O=C(C1=CC=C(C2=CN=CO2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190952	1	36	-1.0	-47.03	304.36	1.96	-45.07
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020190953	0	42	-1.0	-49.94	369.32	5.94	-44.00
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020190953	1	42	-1.0	-49.92	369.39	5.94	-43.98
CC(C)SC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190954	0	40	-1.0	-42.26	335.22	6.19	-36.07
CC(C)SC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190954	1	40	-1.0	-42.25	335.30	6.21	-36.04
O=C(C1=CC=C(SCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190955	0	44	-1.0	-44.37	371.45	8.44	-35.93
O=C(C1=CC=C(SCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190955	1	44	-1.0	-44.40	371.52	8.46	-35.94
O=C(CSCC1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190956	0	36	-1.0	-48.61	320.15	4.31	-44.30
O=C(CSCC1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190956	1	36	-1.0	-48.62	320.22	4.32	-44.30
O=C(CSCC1=CC=NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190957	0	36	-1.0	-47.56	320.03	4.38	-43.18
O=C(CSCC1=CC=NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190957	1	36	-1.0	-47.59	320.11	4.40	-43.19
CC1=NN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1Br	REAL300020190958	0	36	-1.0	-48.06	323.59	3.76	-44.30
CC1=NN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1Br	REAL300020190958	1	36	-1.0	-48.10	323.67	3.77	-44.33
O=C(C1=CC=NC(N2C=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190959	0	36	-1.0	-46.21	303.40	5.31	-40.90
O=C(C1=CC=NC(N2C=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190959	1	36	-1.0	-46.25	303.47	5.32	-40.93
O=C(CCSCC1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190960	0	39	-1.0	-44.82	341.82	5.09	-39.73
O=C(CCSCC1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190960	1	39	-1.0	-44.85	341.90	5.11	-39.74
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(F)C=C1[N+](=O)[O-]	REAL300020190961	0	34	-1.0	-39.36	296.56	2.71	-36.65
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(F)C=C1[N+](=O)[O-]	REAL300020190961	1	34	-1.0	-39.39	296.64	2.73	-36.66
O=C(C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190962	0	41	-1.0	-52.21	351.36	5.47	-46.74
O=C(C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190962	1	41	-1.0	-52.22	351.44	5.49	-46.73
COC1=CC=C(Cl)C=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190963	0	38	-1.0	-45.53	334.95	5.11	-40.42
COC1=CC=C(Cl)C=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190963	1	38	-1.0	-45.56	335.03	5.12	-40.44
O=C(C1=CC2=CC=CC([N+](=O)[O-])=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190964	0	36	-1.0	-45.51	310.17	4.86	-40.65
O=C(C1=CC2=CC=CC([N+](=O)[O-])=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190964	1	36	-1.0	-45.51	310.24	4.87	-40.64
COC1=CC=C(C(=O)CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190965	0	45	-1.0	-55.04	373.15	5.49	-49.55
COC1=CC=C(C(=O)CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190965	1	45	-1.0	-55.06	373.22	5.51	-49.55
CC(SC1=CC=CC=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190966	0	37	-1.0	-45.99	327.97	6.06	-39.93
CC(SC1=CC=CC=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190966	1	37	-1.0	-45.99	328.04	6.07	-39.92
CC1=NN2C(=C1C(=O)N1CCC(C3=N[N-]N=N3)C1)N=C(C)C=C2C	REAL300020190967	0	41	-1.0	-52.28	347.29	4.66	-47.62
CC1=NN2C(=C1C(=O)N1CCC(C3=NN=N[N-]3)C1)N=C(C)C=C2C	REAL300020190967	1	41	-1.0	-52.26	347.36	4.68	-47.58
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2)CCCCC1	REAL300020190968	0	46	-1.0	-45.81	355.03	7.30	-38.51
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2)CCCCC1	REAL300020190968	1	46	-1.0	-45.84	355.11	7.30	-38.54
CC(=O)NC1=CC=C(SC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190969	0	44	-1.0	-50.53	371.37	4.47	-46.06
CC(=O)NC1=CC=C(SC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190969	1	44	-1.0	-50.53	371.45	4.48	-46.05
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190970	0	37	-1.0	-43.74	343.57	6.52	-37.22
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190970	1	37	-1.0	-43.75	343.64	6.54	-37.21
COC1=CC=C(SC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190971	0	41	-1.0	-44.36	350.02	5.14	-39.22
COC1=CC=C(SC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190971	1	41	-1.0	-44.37	350.09	5.15	-39.22
O=C(CCCOC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190972	0	40	-1.0	-46.18	348.83	5.68	-40.50
O=C(CCCOC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190972	1	40	-1.0	-46.15	348.90	5.69	-40.46
O=C(CCOC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020190973	0	37	-1.0	-42.74	331.00	5.08	-37.66
O=C(CCOC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020190973	1	37	-1.0	-42.72	331.08	5.08	-37.64
O=C(CCOC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020190974	0	37	-1.0	-41.25	343.36	5.46	-35.79
O=C(CCOC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020190974	1	37	-1.0	-41.22	343.43	5.48	-35.74
CC1=CC=CC(NC(=O)N2CCCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)=C1	REAL300020190975	0	52	-1.0	-47.65	407.79	6.22	-41.43
CC1=CC=CC(NC(=O)N2CCCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)=C1	REAL300020190975	1	52	-1.0	-47.68	407.86	6.23	-41.45
O=C(CC1CCCC(C(F)(F)F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190976	0	42	-1.0	-42.42	337.95	5.95	-36.47
O=C(CC1CCCC(C(F)(F)F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190976	1	42	-1.0	-42.44	338.03	5.96	-36.48
CC(C)CC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020190977	0	48	-1.0	-40.16	363.48	3.28	-36.88
CC(C)CC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020190977	1	48	-1.0	-40.16	363.56	3.28	-36.88
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190978	0	45	-1.0	-51.86	374.19	6.57	-45.29
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190978	1	45	-1.0	-51.94	374.12	6.55	-45.39
O=C(CCC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020190979	0	36	-1.0	-42.95	319.38	6.05	-36.90
O=C(CCC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020190979	1	36	-1.0	-42.98	319.46	6.06	-36.92
O=C(C1=CC=C(Br)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020190980	0	30	-1.0	-41.24	289.69	4.83	-36.41
O=C(C1=CC=C(Br)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020190980	1	30	-1.0	-41.23	289.76	4.83	-36.40
CC1=CC(Br)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190981	0	33	-1.0	-40.90	293.54	4.93	-35.97
CC1=CC(Br)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190981	1	33	-1.0	-40.88	293.61	4.93	-35.95
CN1N=C(C(C)(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190982	0	42	-1.0	-41.22	332.57	3.94	-37.28
CN1N=C(C(C)(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190982	1	42	-1.0	-41.22	332.50	3.93	-37.29
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190983	0	39	-1.0	-45.92	355.54	7.33	-38.59
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190983	1	39	-1.0	-45.91	355.61	7.34	-38.57
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=C(Br)C=N1	REAL300020190984	0	33	-1.0	-37.71	300.45	3.07	-34.64
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=C(Br)C=N1	REAL300020190984	1	33	-1.0	-37.66	300.38	3.06	-34.60
CC(C)NC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190985	0	45	-1.0	-48.48	363.39	2.74	-45.74
CC(C)NC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190985	1	45	-1.0	-48.49	363.46	2.75	-45.74
CC1=NC2=CC(F)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2N=C1C	REAL300020190986	0	40	-1.0	-46.75	334.56	3.57	-43.18
CC1=NC2=CC(F)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2N=C1C	REAL300020190986	1	40	-1.0	-46.78	334.64	3.58	-43.20
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190987	0	42	-1.0	-53.30	357.01	5.15	-48.15
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190987	1	42	-1.0	-53.31	357.08	5.16	-48.15
CC(=O)NC1=CC(F)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020190988	0	37	-1.0	-42.85	313.54	2.98	-39.87
CC(=O)NC1=CC(F)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190988	1	37	-1.0	-42.86	313.61	2.99	-39.87
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COC1=CC=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020190991	1	38	-1.0	-49.72	319.22	3.99	-45.73
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O=C(C1=CNC(C(=O)N2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190993	1	42	-1.0	-55.97	336.22	3.03	-52.94
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CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=C(Br)S1	REAL300020190996	0	37	-1.0	-50.26	343.12	4.14	-46.12
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=C(Br)S1	REAL300020190996	1	37	-1.0	-50.23	343.19	4.16	-46.07
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CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020190998	0	52	0.0	-72.01	393.31	6.58	-65.43
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020190998	1	52	0.0	-72.02	393.38	6.59	-65.43
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COC(=O)C(C)SC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020190999	1	43	-1.0	-51.00	365.82	6.21	-44.79
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O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1F	REAL300020191000	1	38	-1.0	-43.78	333.38	5.55	-38.23
CC1=NN2C(=C1)N=C(C)C=C2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191001	0	38	-1.0	-49.40	325.93	3.92	-45.48
CC1=NN2C(=C1)N=C(C)C=C2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191001	1	38	-1.0	-49.47	326.00	3.93	-45.54
CC(C)SC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191002	0	40	-1.0	-46.25	330.26	6.09	-40.16
CC(C)SC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191002	1	40	-1.0	-46.26	330.34	6.11	-40.15
CC(C)OC1=CC=C(NS(=O)(=O)CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191003	0	48	-1.0	-53.28	401.65	1.87	-51.41
CC(C)OC1=CC=C(NS(=O)(=O)CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191003	1	48	-1.0	-53.29	401.73	1.88	-51.41
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191004	0	53	0.0	-76.58	401.63	4.62	-71.96
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191004	1	53	0.0	-76.60	401.70	4.64	-71.96
O=C(C1=C2NC=NC2=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191005	0	33	-1.0	-42.20	286.70	3.43	-38.77
O=C(C1=C2NC=NC2=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191005	1	33	-1.0	-42.17	286.77	3.44	-38.73
COC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020191006	0	54	-1.0	-42.38	397.19	3.59	-38.79
COC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020191006	1	54	-1.0	-42.36	397.27	3.60	-38.76
O=C(C1=CC=C(C2=CC(Cl)=CC(Cl)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191007	0	37	-1.0	-41.13	353.76	7.43	-33.70
O=C(C1=CC=C(C2=CC(Cl)=CC(Cl)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191007	1	37	-1.0	-41.13	353.83	7.43	-33.70
CCC1=NOC(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020191008	0	40	-1.0	-50.08	336.67	2.57	-47.51
CCC1=NOC(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020191008	1	40	-1.0	-50.09	336.75	2.57	-47.52
CCCC1=NOC(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020191009	0	43	-1.0	-49.87	358.17	3.34	-46.53
CCCC1=NOC(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020191009	1	43	-1.0	-49.91	358.25	3.34	-46.57
CCCCC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191010	0	50	-1.0	-42.50	408.23	8.39	-34.11
CCCCC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191010	1	50	-1.0	-42.50	408.31	8.40	-34.10
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300020191011	0	44	-1.0	-44.07	373.08	8.18	-35.89
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300020191011	1	44	-1.0	-44.12	373.15	8.18	-35.94
CC(NC(=O)C1=CC=C(Br)S1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191012	0	37	-1.0	-40.61	347.54	2.93	-37.68
CC(NC(=O)C1=CC=C(Br)S1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191012	1	37	-1.0	-40.61	347.61	2.93	-37.68
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC(C)=C1C(=O)OC	REAL300020191013	0	46	-1.0	-45.90	376.46	5.40	-40.50
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC(C)=C1C(=O)OC	REAL300020191013	1	46	-1.0	-45.89	376.53	5.42	-40.47
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC(C)=C1C(C)=O	REAL300020191014	0	42	-1.0	-46.27	344.21	4.49	-41.78
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC(C)=C1C(C)=O	REAL300020191014	1	42	-1.0	-46.26	344.29	4.50	-41.76
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=C(Br)O1	REAL300020191015	0	37	-1.0	-47.56	337.45	3.73	-43.83
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=C(Br)O1	REAL300020191015	1	37	-1.0	-47.55	337.52	3.73	-43.82
CN(C)C1=NC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)S1	REAL300020191016	0	37	-1.0	-44.07	330.93	4.10	-39.97
CN(C)C1=NC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)S1	REAL300020191016	1	37	-1.0	-44.02	330.86	4.10	-39.92
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC(C)=CC=C1	REAL300020191017	0	42	-1.0	-42.89	348.23	5.05	-37.84
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC(C)=CC=C1	REAL300020191017	1	42	-1.0	-42.89	348.31	5.06	-37.83
O=C(CCN1C=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191018	0	33	-1.0	-41.59	304.89	3.36	-38.23
O=C(CCN1C=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191018	1	33	-1.0	-41.57	304.82	3.34	-38.23
NC(=O)C1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020191019	0	41	-1.0	-56.06	349.39	2.92	-53.14
NC(=O)C1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020191019	1	41	-1.0	-56.05	349.46	2.93	-53.12
CCN(CC)C1=NC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)S1	REAL300020191020	0	43	-1.0	-43.77	374.58	6.02	-37.75
CCN(CC)C1=NC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)S1	REAL300020191020	1	43	-1.0	-43.78	374.50	6.00	-37.78
O=C(C1=CC=C([N+](=O)[O-])C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191021	0	32	-1.0	-43.22	287.96	4.45	-38.77
O=C(C1=CC=C([N+](=O)[O-])C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191021	1	32	-1.0	-43.25	288.03	4.46	-38.79
CC(C)(C)NS(=O)(=O)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191022	0	40	-1.0	-53.13	324.65	-0.47	-53.60
CC(C)(C)NS(=O)(=O)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191022	1	40	-1.0	-53.12	324.72	-0.45	-53.57
CC(C)(C)C1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCCC2)C=C1	REAL300020191023	0	58	-1.0	-43.44	414.95	9.07	-34.37
CC(C)(C)C1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCCC2)C=C1	REAL300020191023	1	58	-1.0	-43.41	415.03	9.09	-34.32
CC1=CC=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCCC2)=C1	REAL300020191024	0	49	-1.0	-43.72	359.71	7.44	-36.28
CC1=CC=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCCC2)=C1	REAL300020191024	1	49	-1.0	-43.74	359.78	7.46	-36.28
O=C(CCCS(=O)(=O)N1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191025	0	44	-1.0	-54.57	366.44	1.75	-52.82
O=C(CCCS(=O)(=O)N1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191025	1	44	-1.0	-54.55	366.51	1.77	-52.78
CC(C(=O)N(C)CC(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=CC=N1	REAL300020191026	0	43	-1.0	-57.00	352.77	3.17	-53.83
CC(C(=O)N(C)CC(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=CC=N1	REAL300020191026	1	43	-1.0	-57.02	352.70	3.16	-53.86
O=C(CCOC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020191027	0	54	-1.0	-51.12	426.73	6.37	-44.75
O=C(CCOC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020191027	1	54	-1.0	-51.19	426.81	6.39	-44.80
CC1=CC=C(C)N1C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020191028	0	41	-1.0	-46.93	348.89	7.08	-39.85
CC1=CC=C(C)N1C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020191028	1	41	-1.0	-46.94	348.96	7.09	-39.85
O=C(C1=NOC(C2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191029	0	38	-1.0	-39.27	321.57	4.52	-34.75
O=C(C1=NOC(C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191029	1	38	-1.0	-39.29	321.65	4.53	-34.76
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191030	0	43	-2.0	-94.89	366.13	2.34	-92.55
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191030	1	43	-2.0	-94.86	366.20	2.34	-92.52
CCC(=O)NC(CCSC)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191031	0	43	-1.0	-53.77	354.57	4.09	-49.68
CCC(=O)NC(CCSC)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191031	1	43	-1.0	-53.80	354.65	4.11	-49.69
N#CC1=C(N)N(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020191032	0	40	-1.0	-47.69	341.80	4.15	-43.54
N#CC1=C(N)N(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)N=C1	REAL300020191032	1	40	-1.0	-47.71	341.73	4.13	-43.58
O=C(CC1=CC=C(F)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191033	0	33	-1.0	-44.96	307.74	5.42	-39.54
O=C(CC1=CC=C(F)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191033	1	33	-1.0	-44.95	307.82	5.43	-39.52
CC(C)OC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020191034	0	39	-1.0	-40.14	335.05	2.70	-37.44
CC(C)OC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020191034	1	39	-1.0	-40.16	334.98	2.69	-37.47
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020191035	0	39	-1.0	-43.17	317.91	6.28	-36.89
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020191035	1	39	-1.0	-43.22	317.98	6.29	-36.93
O=C(CCC1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191036	0	42	-1.0	-43.76	348.25	7.83	-35.93
O=C(CCC1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191036	1	42	-1.0	-43.80	348.33	7.84	-35.96
O=C(C1=CC(F)=CC2=C1NC(=S)N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020191037	0	34	-1.0	-47.94	308.93	3.44	-44.50
O=C(C1=CC(F)=CC2=C1NC(=S)N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020191037	1	34	-1.0	-47.98	309.01	3.45	-44.53
O=C(CNC(=O)NC1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191038	0	45	-1.0	-42.90	357.99	1.65	-41.25
O=C(CNC(=O)NC1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191038	1	45	-1.0	-42.96	358.06	1.65	-41.31
O=C(CCC(=O)N1CCC2=C(C=CS2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191039	0	44	-1.0	-43.39	368.64	5.37	-38.02
O=C(CCC(=O)N1CCC2=C(C=CS2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191039	1	44	-1.0	-43.39	368.72	5.37	-38.02
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191040	0	37	-1.0	-44.19	327.66	5.33	-38.86
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191040	1	37	-1.0	-44.15	327.59	5.31	-38.84
CCCC(C)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020191041	0	46	-1.0	-49.91	354.58	4.92	-44.99
CCCC(C)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020191041	1	46	-1.0	-49.86	354.66	4.93	-44.93
O=C(C1=CC(Cl)=CC2=CC=CN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020191042	0	35	-1.0	-48.92	311.20	4.84	-44.08
O=C(C1=CC(Cl)=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020191042	1	35	-1.0	-48.93	311.13	4.83	-44.10
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C(C)C=C1	REAL300020191043	0	42	-1.0	-42.57	348.20	5.06	-37.51
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C(C)C=C1	REAL300020191043	1	42	-1.0	-42.56	348.27	5.06	-37.50
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC(Cl)=C1	REAL300020191044	0	39	-1.0	-42.96	343.56	4.90	-38.06
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC(Cl)=C1	REAL300020191044	1	39	-1.0	-42.97	343.63	4.91	-38.06
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC=C1	REAL300020191045	0	39	-1.0	-43.21	325.24	4.35	-38.86
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC=C1	REAL300020191045	1	39	-1.0	-43.25	325.31	4.36	-38.89
CC(C)C(=O)N1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191046	0	46	-1.0	-54.62	348.12	5.47	-49.15
CC(C)C(=O)N1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191046	1	46	-1.0	-54.61	348.20	5.48	-49.13
O=C(C1=CC=CN=C1SC1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191047	0	43	-1.0	-45.76	351.83	6.22	-39.54
O=C(C1=CC=CN=C1SC1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191047	1	43	-1.0	-45.72	351.76	6.20	-39.52
CCCC(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020191048	0	46	-1.0	-47.64	359.05	4.53	-43.11
CCCC(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020191048	1	46	-1.0	-47.72	359.12	4.54	-43.18
O=C(C1=CNC=C1C1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191049	0	35	-1.0	-50.82	321.43	4.93	-45.89
O=C(C1=CNC=C1C1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191049	1	35	-1.0	-50.88	321.51	4.93	-45.95
CCN1C(=O)C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2S1(=O)=O	REAL300020191050	0	41	-1.0	-45.39	354.60	0.94	-44.45
CCN1C(=O)C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2S1(=O)=O	REAL300020191050	1	41	-1.0	-45.38	354.67	0.94	-44.44
O=C(C1=CC(F)=CC2=NC=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020191051	0	34	-1.0	-46.32	295.84	2.47	-43.85
O=C(C1=CC(F)=CC2=NC=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020191051	1	34	-1.0	-46.33	295.76	2.45	-43.88
CC1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020191052	0	30	-1.0	-40.54	273.12	1.72	-38.82
CC1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020191052	1	30	-1.0	-40.51	273.20	1.72	-38.79
O=C(NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)NC1CC1	REAL300020191053	0	43	-1.0	-46.85	352.61	2.84	-44.01
O=C(NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)NC1CC1	REAL300020191053	1	43	-1.0	-46.83	352.68	2.86	-43.97
CCS(=O)(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020191054	0	44	-1.0	-45.82	357.09	1.47	-44.35
CCS(=O)(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020191054	1	44	-1.0	-45.86	357.16	1.48	-44.38
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=NC2=CC=CC=C2S1	REAL300020191055	0	40	-1.0	-49.60	348.27	5.82	-43.78
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=NC2=CC=CC=C2S1	REAL300020191055	1	40	-1.0	-49.58	348.19	5.81	-43.77
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1CCNC1=O	REAL300020191056	0	43	-1.0	-51.62	348.80	3.46	-48.16
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCNC1=O	REAL300020191056	1	43	-1.0	-51.58	348.87	3.47	-48.11
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2)CCOCC1	REAL300020191057	0	44	-1.0	-40.58	346.85	4.95	-35.63
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2)CCOCC1	REAL300020191057	1	44	-1.0	-40.61	346.93	4.97	-35.64
O=C(C=CC1=CC2=CC=CN=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191058	0	39	-1.0	-46.64	331.03	5.60	-41.04
O=C(C=CC1=CC2=CC=CN=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191058	1	39	-1.0	-46.71	331.10	5.61	-41.10
O=C(CCN1C=CN=C1)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191059	0	47	-1.0	-50.80	388.24	5.83	-44.97
O=C(CCN1C=CN=C1)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191059	1	47	-1.0	-50.80	388.32	5.84	-44.96
CCC1=NOC2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020191060	0	37	-1.0	-42.94	309.91	1.75	-41.19
CCC1=NOC2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020191060	1	37	-1.0	-42.97	309.99	1.77	-41.20
CC1=NN(C2=CC=CC=C2)C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020191061	0	45	-1.0	-45.45	374.46	7.62	-37.83
CC1=NN(C2=CC=CC=C2)C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020191061	1	45	-1.0	-45.45	374.53	7.63	-37.82
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300020191062	0	42	-1.0	-48.39	357.03	5.68	-42.71
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300020191062	1	42	-1.0	-48.40	356.96	5.66	-42.74
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=CC=C(F)C=C21	REAL300020191063	0	36	-1.0	-40.76	310.28	5.84	-34.92
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=CC=C(F)C=C21	REAL300020191063	1	36	-1.0	-40.79	310.35	5.85	-34.94
O=C(CCOC1=CC=CC=C1)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020191064	0	54	-1.0	-48.19	427.44	6.37	-41.82
O=C(CCOC1=CC=CC=C1)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020191064	1	54	-1.0	-48.22	427.51	6.39	-41.83
O=C(CSCC1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191065	0	36	-1.0	-47.95	320.06	4.38	-43.57
O=C(CSCC1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191065	1	36	-1.0	-47.95	319.99	4.36	-43.59
O=C(CC1=CC=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191066	0	36	-1.0	-47.91	306.79	3.44	-44.47
O=C(CC1=CC=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191066	1	36	-1.0	-47.88	306.87	3.44	-44.44
COC1=CC=CC(C(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191067	0	40	-1.0	-43.82	324.83	4.47	-39.35
COC1=CC=CC(C(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191067	1	40	-1.0	-43.81	324.90	4.48	-39.33
CCSCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191068	0	40	-1.0	-44.32	337.50	6.34	-37.98
CCSCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191068	1	40	-1.0	-44.32	337.57	6.36	-37.96
COC(=O)COC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191069	0	40	-1.0	-49.44	335.89	4.48	-44.96
COC(=O)COC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191069	1	40	-1.0	-49.44	335.97	4.49	-44.95
CCC1=CC=C(C(=O)NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CS2)C=C1	REAL300020191070	0	47	-1.0	-43.67	391.27	6.41	-37.26
CCC1=CC=C(C(=O)NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CS2)C=C1	REAL300020191070	1	47	-1.0	-43.72	391.34	6.42	-37.30
COC(=O)COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191071	0	40	-1.0	-49.90	335.81	4.48	-45.42
COC(=O)COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191071	1	40	-1.0	-49.95	335.88	4.49	-45.46
O=C(C1=CC2=C(C=CS2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191072	0	30	-1.0	-41.95	279.44	4.20	-37.75
O=C(C1=CC2=C(C=CS2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191072	1	30	-1.0	-42.01	279.52	4.22	-37.79
COC1=CC=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC(=O)OC2=C1	REAL300020191073	0	42	-1.0	-52.36	354.86	5.46	-46.90
COC1=CC=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020191073	1	42	-1.0	-52.38	354.93	5.46	-46.92
CC1=NN(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020191074	0	35	-1.0	-44.39	314.29	3.00	-41.39
CC1=NN(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020191074	1	35	-1.0	-44.38	314.37	3.01	-41.37
CSC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C2C=CC=CN12	REAL300020191075	0	37	-1.0	-48.41	323.93	5.97	-42.44
CSC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C2C=CC=CN12	REAL300020191075	1	37	-1.0	-48.37	323.86	5.96	-42.41
O=C(CCNC(=O)OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191076	0	37	-1.0	-48.24	333.80	0.88	-47.36
O=C(CCNC(=O)OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191076	1	37	-1.0	-48.26	333.87	0.89	-47.37
O=C(CCCOC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191077	0	40	-1.0	-50.51	338.32	5.24	-45.27
O=C(CCCOC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191077	1	40	-1.0	-50.56	338.39	5.25	-45.31
CN1N=NN=C1SCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191078	0	35	-1.0	-51.84	315.68	2.18	-49.66
CN1N=NN=C1SCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191078	1	35	-1.0	-51.83	315.61	2.17	-49.66
O=C(CCOCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191079	0	40	-1.0	-42.75	336.15	4.87	-37.88
O=C(CCOCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191079	1	40	-1.0	-42.73	336.23	4.88	-37.85
CCNC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020191080	0	45	-1.0	-53.80	348.38	1.63	-52.17
CCNC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020191080	1	45	-1.0	-53.79	348.46	1.64	-52.15
CC(C)C(OC1=CC=CC=C1C#N)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191081	0	44	-1.0	-45.49	354.41	5.91	-39.58
CC(C)C(OC1=CC=CC=C1C#N)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191081	1	44	-1.0	-45.50	354.49	5.93	-39.57
CC(SC1=NN=NN1C1CC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191082	0	39	-1.0	-42.82	338.71	3.54	-39.28
CC(SC1=NN=NN1C1CC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191082	1	39	-1.0	-42.80	338.64	3.52	-39.28
CCCOC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191083	0	40	-1.0	-45.08	342.90	5.95	-39.13
CCCOC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191083	1	40	-1.0	-45.07	342.98	5.97	-39.10
C=CC(=O)NCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191084	0	41	-1.0	-47.67	344.25	3.12	-44.55
C=CC(=O)NCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191084	1	41	-1.0	-47.73	344.32	3.13	-44.60
COC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1OC	REAL300020191085	0	48	-1.0	-46.69	395.36	4.82	-41.87
COC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1OC	REAL300020191085	1	48	-1.0	-46.74	395.43	4.82	-41.92
O=C(C1CCN(C2=CC=C(Cl)C=C2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191086	0	41	-1.0	-46.78	349.63	5.45	-41.33
O=C(C1CCN(C2=CC=C(Cl)C=C2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191086	1	41	-1.0	-46.78	349.71	5.46	-41.32
O=C(C1=CC=NC(OCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191087	0	43	-1.0	-45.90	359.24	4.32	-41.58
O=C(C1=CC=NC(OCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191087	1	43	-1.0	-45.85	359.17	4.30	-41.55
NC(=O)C1CCCN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C1	REAL300020191088	0	49	-1.0	-51.45	378.65	1.43	-50.02
NC(=O)C1CCCN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C1	REAL300020191088	1	49	-1.0	-51.44	378.72	1.45	-49.99
O=C(CCCOC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191089	0	40	-1.0	-48.18	338.51	5.23	-42.95
O=C(CCCOC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191089	1	40	-1.0	-48.19	338.58	5.24	-42.95
O=C(C1=CC=C(Cl)S1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020191090	0	44	-1.0	-47.25	379.49	5.34	-41.91
O=C(C1=CC=C(Cl)S1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020191090	1	44	-1.0	-47.31	379.57	5.35	-41.96
CCN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=CC=CC=C21	REAL300020191091	0	40	-1.0	-42.92	323.19	6.09	-36.83
CCN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C21	REAL300020191091	1	40	-1.0	-42.87	323.26	6.10	-36.77
CC(NC(=O)C1CCCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191092	0	46	-1.0	-38.60	359.78	3.46	-35.14
CC(NC(=O)C1CCCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191092	1	46	-1.0	-38.61	359.86	3.47	-35.14
CC1=CC=C(C2=NOC(CCC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1F	REAL300020191093	0	44	-1.0	-44.61	379.79	4.93	-39.68
CC1=CC=C(C2=NOC(CCC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1F	REAL300020191093	1	44	-1.0	-44.63	379.72	4.93	-39.70
CC1=CC(C2=NOC(CCC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)=CC=C1F	REAL300020191094	0	44	-1.0	-43.46	379.78	4.93	-38.53
CC1=CC(C2=NOC(CCC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)=CC=C1F	REAL300020191094	1	44	-1.0	-43.41	379.70	4.93	-38.48
O=C(C1=CC=CO1)N1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191095	0	44	-1.0	-55.59	347.76	5.39	-50.20
O=C(C1=CC=CO1)N1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191095	1	44	-1.0	-55.57	347.83	5.40	-50.17
CCCCCCOC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191096	0	52	-1.0	-45.17	418.08	8.14	-37.03
CCCCCCOC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191096	1	52	-1.0	-45.16	418.15	8.15	-37.01
O=C(C1=CC=CN1CC1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191097	0	38	-1.0	-45.28	324.59	6.12	-39.16
O=C(C1=CC=CN1CC1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191097	1	38	-1.0	-45.28	324.66	6.13	-39.15
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191098	0	37	-1.0	-43.49	331.28	5.89	-37.60
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191098	1	37	-1.0	-43.47	331.20	5.88	-37.59
O=C(C1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191099	0	37	-1.0	-42.75	352.18	7.38	-35.37
O=C(C1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191099	1	37	-1.0	-42.74	352.25	7.38	-35.36
O=C(CCC1=CC=C(C2=CC=CC=C2)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191100	0	44	-1.0	-43.83	364.94	6.88	-36.95
O=C(CCC1=CC=C(C2=CC=CC=C2)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191100	1	44	-1.0	-43.82	365.02	6.89	-36.93
O=C(C1=CC2=C(OC(F)(F)F)C=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191101	0	38	-1.0	-43.57	330.41	3.91	-39.66
O=C(C1=CC2=C(OC(F)(F)F)C=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191101	1	38	-1.0	-43.55	330.48	3.91	-39.64
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020191102	0	39	-1.0	-42.48	321.97	6.05	-36.43
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020191102	1	39	-1.0	-42.45	322.05	6.07	-36.38
CC1=CNC(=O)N1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191103	0	41	-1.0	-49.74	340.99	4.33	-45.41
CC1=CNC(=O)N1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191103	1	41	-1.0	-49.77	341.06	4.34	-45.43
O=C(CNC(=O)NCC1=CC=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191104	0	39	-1.0	-44.01	336.39	0.07	-43.94
O=C(CNC(=O)NCC1=CC=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191104	1	39	-1.0	-43.99	336.46	0.07	-43.92
CCCC(=O)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191105	0	43	-1.0	-53.66	339.13	4.74	-48.92
CCCC(=O)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191105	1	43	-1.0	-53.66	339.20	4.76	-48.90
CC1=CC=C(C)C(OCCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191106	0	49	-1.0	-45.06	395.09	7.36	-37.70
CC1=CC=C(C)C(OCCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191106	1	49	-1.0	-45.04	395.16	7.37	-37.67
CC(C)(C)C1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020191107	0	38	-1.0	-41.75	319.72	3.46	-38.29
CC(C)(C)C1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020191107	1	38	-1.0	-41.76	319.65	3.45	-38.31
COC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191108	0	36	-1.0	-51.21	308.66	4.57	-46.64
COC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191108	1	36	-1.0	-51.25	308.73	4.58	-46.67
CC(C)OC1=CC(Br)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191109	0	40	-1.0	-44.59	344.05	5.92	-38.67
CC(C)OC1=CC(Br)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191109	1	40	-1.0	-44.62	344.12	5.92	-38.70
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191110	0	37	-1.0	-43.77	320.95	5.44	-38.33
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191110	1	37	-1.0	-43.80	320.88	5.43	-38.37
O=C(C1CCC[N@@H+]1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191111	0	46	0.0	-61.22	357.50	7.00	-54.22
O=C(C1CCC[N@H+]1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191111	1	46	0.0	-60.10	355.85	6.95	-53.15
O=C(CNC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020191112	0	35	-1.0	-44.68	308.01	3.60	-41.08
O=C(CNC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020191112	1	35	-1.0	-44.67	308.09	3.62	-41.05
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC=C1	REAL300020191113	0	42	-1.0	-52.61	352.11	4.95	-47.66
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC=C1	REAL300020191113	1	42	-1.0	-52.64	352.19	4.97	-47.67
COC1=CC=C(Cl)C=C1NCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191114	0	42	-1.0	-45.13	360.87	3.61	-41.52
COC1=CC=C(Cl)C=C1NCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191114	1	42	-1.0	-45.12	360.94	3.62	-41.50
O=C(C1=C(Cl)N=C(N2CCCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191115	0	38	-1.0	-42.74	330.48	3.04	-39.70
O=C(C1=C(Cl)N=C(N2CCCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191115	1	38	-1.0	-42.72	330.41	3.02	-39.70
COC1=CC=C(N2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020191116	0	41	-1.0	-46.41	343.97	4.66	-41.75
COC1=CC=C(N2C=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020191116	1	41	-1.0	-46.39	343.89	4.65	-41.74
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020191117	0	42	-1.0	-42.52	354.29	7.01	-35.51
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020191117	1	42	-1.0	-42.51	354.36	7.01	-35.50
CC1=CC=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020191118	0	47	-1.0	-42.21	338.79	4.67	-37.54
CC1=CC=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020191118	1	47	-1.0	-42.17	338.87	4.67	-37.50
CC1=CC=CC(OCCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191119	0	46	-1.0	-44.97	374.99	6.63	-38.34
CC1=CC=CC(OCCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191119	1	46	-1.0	-44.98	375.07	6.63	-38.35
CCCC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020191120	0	47	-1.0	-41.34	390.30	3.94	-37.40
CCCC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020191120	1	47	-1.0	-41.34	390.23	3.92	-37.42
O=C(CC1=CC=CC=C1)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191121	0	47	-1.0	-56.45	377.55	6.97	-49.48
O=C(CC1=CC=CC=C1)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191121	1	47	-1.0	-56.43	377.62	6.98	-49.45
CC(OC1=CC=CC(C#N)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191122	0	38	-1.0	-49.67	324.22	5.48	-44.19
CC(OC1=CC=CC(C#N)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191122	1	38	-1.0	-49.73	324.29	5.48	-44.25
O=C(C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191123	0	47	-1.0	-45.56	382.13	7.78	-37.78
O=C(C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191123	1	47	-1.0	-45.55	382.05	7.77	-37.78
NC(=O)C1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191124	0	38	-1.0	-53.53	324.09	1.47	-52.06
NC(=O)C1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191124	1	38	-1.0	-53.50	324.16	1.49	-52.01
O=C(C1=CC(F)=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020191125	0	32	-1.0	-50.61	284.92	5.31	-45.30
O=C(C1=CC(F)=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020191125	1	32	-1.0	-50.62	284.99	5.31	-45.31
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(F)=C2)CCCCC1	REAL300020191126	0	46	-1.0	-47.15	344.71	6.84	-40.31
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(F)=C2)CCCCC1	REAL300020191126	1	46	-1.0	-47.15	344.78	6.86	-40.29
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300020191127	0	44	-1.0	-45.63	373.02	8.18	-37.45
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300020191127	1	44	-1.0	-45.65	373.09	8.18	-37.47
O=C(C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191128	0	40	-1.0	-48.84	349.59	5.73	-43.11
O=C(C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191128	1	40	-1.0	-48.80	349.52	5.72	-43.08
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1	REAL300020191129	0	38	-1.0	-47.89	338.74	1.75	-46.14
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020191129	1	38	-1.0	-47.85	338.82	1.75	-46.10
CC(C)(C)C(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020191130	0	49	-1.0	-47.73	365.75	4.36	-43.37
CC(C)(C)C(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020191130	1	49	-1.0	-47.73	365.82	4.38	-43.35
CCOC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020191131	0	36	-1.0	-41.79	314.58	3.02	-38.77
CCOC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020191131	1	36	-1.0	-41.77	314.51	3.00	-38.77
O=C(C1=CSC(C2=CC=C(Cl)S2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191132	0	33	-1.0	-42.81	328.65	4.89	-37.92
O=C(C1=CSC(C2=CC=C(Cl)S2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191132	1	33	-1.0	-42.79	328.58	4.88	-37.91
O=C(CC1=CSC(C2=CC=C(Cl)S2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191133	0	36	-1.0	-50.26	353.13	5.37	-44.89
O=C(CC1=CSC(C2=CC=C(Cl)S2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191133	1	36	-1.0	-50.30	353.05	5.36	-44.94
CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191134	0	50	-1.0	-50.99	378.76	5.47	-45.52
CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191134	1	50	-1.0	-51.02	378.83	5.49	-45.53
CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191135	0	46	-1.0	-36.03	349.16	2.42	-33.61
CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191135	1	46	-1.0	-36.02	349.23	2.44	-33.58
COCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020191136	0	44	-1.0	-49.46	360.39	5.30	-44.16
COCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020191136	1	44	-1.0	-49.44	360.47	5.31	-44.13
O=C(C1=C(C2CC2)OC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191137	0	43	-1.0	-42.51	362.94	5.51	-37.00
O=C(C1=C(C2CC2)OC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191137	1	43	-1.0	-42.49	362.86	5.51	-36.98
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CCC(=O)N1C1=CC(Cl)=CC=C1S2	REAL300020191138	0	40	-1.0	-41.27	355.51	5.45	-35.82
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CCC(=O)N1C1=CC(Cl)=CC=C1S2	REAL300020191138	1	40	-1.0	-41.33	355.58	5.46	-35.87
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(F)C=C2)CCCCC1	REAL300020191139	0	46	-1.0	-43.28	343.03	6.76	-36.52
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(F)C=C2)CCCCC1	REAL300020191139	1	46	-1.0	-43.31	343.11	6.77	-36.54
COC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCOCC2)C=C1	REAL300020191140	0	48	-1.0	-44.88	359.78	3.74	-41.14
COC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCOCC2)C=C1	REAL300020191140	1	48	-1.0	-44.89	359.85	3.74	-41.15
C=CCOC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020191141	0	37	-1.0	-41.69	327.50	3.59	-38.10
C=CCOC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020191141	1	37	-1.0	-41.71	327.42	3.59	-38.12
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(F)=C2)CCOCC1	REAL300020191142	0	44	-1.0	-40.78	336.53	4.50	-36.28
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(F)=C2)CCOCC1	REAL300020191142	1	44	-1.0	-40.75	336.60	4.51	-36.24
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O=C(C1=CC=C(OCC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191144	0	41	-1.0	-43.76	332.98	5.36	-38.40
O=C(C1=CC=C(OCC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191144	1	41	-1.0	-43.81	333.05	5.38	-38.43
O=C(CSCC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020191145	0	37	-1.0	-45.69	355.95	7.10	-38.59
O=C(CSCC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020191145	1	37	-1.0	-45.70	356.02	7.10	-38.60
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=C(C)C=CC(C)=C12	REAL300020191146	0	42	-1.0	-42.15	338.56	6.30	-35.85
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=C(C)C=CC(C)=C12	REAL300020191146	1	42	-1.0	-42.13	338.63	6.31	-35.82
O=C(C1=CN=C(C2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191147	0	36	-1.0	-46.17	321.66	4.92	-41.25
O=C(C1=CN=C(C2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191147	1	36	-1.0	-46.15	321.59	4.91	-41.24
O=C(C1=CC=CN=C1SC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191148	0	33	-1.0	-44.47	306.44	3.97	-40.50
O=C(C1=CC=CN=C1SC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191148	1	33	-1.0	-44.49	306.37	3.95	-40.54
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)O1	REAL300020191149	0	45	-1.0	-41.94	372.66	5.35	-36.59
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CC=C2)O1	REAL300020191149	1	45	-1.0	-41.93	372.59	5.34	-36.59
CCCCCCCCCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191150	0	53	-1.0	-42.69	414.20	8.80	-33.89
CCCCCCCCCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191150	1	53	-1.0	-42.67	414.28	8.81	-33.86
COCCOC1=NC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191151	0	40	-1.0	-50.67	335.82	1.40	-49.27
COCCOC1=NC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191151	1	40	-1.0	-50.67	335.74	1.39	-49.28
O=C(CCSC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191152	0	37	-1.0	-42.07	342.21	6.65	-35.42
O=C(CCSC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191152	1	37	-1.0	-42.09	342.29	6.67	-35.42
CC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020191153	0	47	-1.0	-46.99	390.28	5.59	-41.40
CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020191153	1	47	-1.0	-46.95	390.36	5.59	-41.36
O=C(C1CCN(C2=CC=C(F)C=C2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191154	0	41	-1.0	-47.27	339.32	5.01	-42.26
O=C(C1CCN(C2=CC=C(F)C=C2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191154	1	41	-1.0	-47.28	339.39	5.01	-42.27
O=C(C1CCN(C2=CC=C(Cl)C(Cl)=C2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191155	0	41	-1.0	-47.22	362.20	5.92	-41.30
O=C(C1CCN(C2=CC=C(Cl)C(Cl)=C2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191155	1	41	-1.0	-47.21	362.28	5.92	-41.29
CC1=CC(C)=CC(N2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=O)=C1	REAL300020191156	0	47	-1.0	-55.50	377.92	6.25	-49.25
CC1=CC(C)=CC(N2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020191156	1	47	-1.0	-55.46	377.99	6.25	-49.21
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CCN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020191158	0	41	-1.0	-45.40	333.33	5.90	-39.50
CCN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020191158	1	41	-1.0	-45.37	333.40	5.91	-39.46
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CN=C2)=N1	REAL300020191159	0	39	-1.0	-51.40	323.74	3.17	-48.23
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CN=C2)=N1	REAL300020191159	1	39	-1.0	-51.42	323.68	3.15	-48.27
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CCC#N	REAL300020191160	0	37	-1.0	-47.26	313.99	3.27	-43.99
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CCC#N	REAL300020191160	1	37	-1.0	-47.26	314.06	3.28	-43.98
CC1=CSC(C(O)(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)(F)F)=N1	REAL300020191161	0	39	-1.0	-42.25	344.97	2.04	-40.21
CC1=CSC(C(O)(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)(F)F)=N1	REAL300020191161	1	39	-1.0	-42.25	345.05	2.06	-40.19
CCOC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020191162	0	40	-1.0	-46.22	328.10	5.52	-40.70
CCOC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020191162	1	40	-1.0	-46.23	328.17	5.52	-40.71
O=C(CNC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020191163	0	37	-1.0	-53.43	319.07	3.95	-49.48
O=C(CNC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020191163	1	37	-1.0	-53.44	319.15	3.95	-49.49
O=C(C1=CC=C2NC(=O)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191164	0	33	-1.0	-44.78	281.74	1.07	-43.71
O=C(C1=CC=C2NC(=O)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191164	1	33	-1.0	-44.78	281.81	1.08	-43.70
N#CC1=CC=CC=C1COC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191165	0	45	-1.0	-45.38	378.78	7.24	-38.14
N#CC1=CC=CC=C1COC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191165	1	45	-1.0	-45.38	378.85	7.26	-38.12
CC(C)OC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191166	0	40	-1.0	-44.99	339.45	5.92	-39.07
CC(C)OC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191166	1	40	-1.0	-44.98	339.52	5.92	-39.06
O=C(C1=CC(Br)=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191167	0	33	-1.0	-41.78	297.35	2.85	-38.93
O=C(C1=CC(Br)=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191167	1	33	-1.0	-41.84	297.43	2.86	-38.98
CC(=O)NC1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191168	0	37	-1.0	-48.74	315.64	2.67	-46.07
CC(=O)NC1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191168	1	37	-1.0	-48.72	315.71	2.68	-46.04
CC(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020191169	0	37	-1.0	-52.01	311.13	2.57	-49.44
CC(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020191169	1	37	-1.0	-52.00	311.20	2.57	-49.43
O=C(C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191170	0	37	-1.0	-43.87	344.81	6.05	-37.82
O=C(C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191170	1	37	-1.0	-43.89	344.73	6.04	-37.85
CC1=C(C)C2=C(NC(CCC(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=O)S1	REAL300020191171	0	44	-1.0	-51.17	374.61	4.02	-47.15
CC1=C(C)C2=C(NC(CCC(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=O)S1	REAL300020191171	1	44	-1.0	-51.23	374.68	4.03	-47.20
CC1=NOC(Cl)=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191172	0	35	-1.0	-42.27	314.87	4.17	-38.10
CC1=NOC(Cl)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191172	1	35	-1.0	-42.25	314.95	4.17	-38.08
COCCOC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191173	0	41	-1.0	-50.03	338.12	4.03	-46.00
COCCOC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191173	1	41	-1.0	-50.04	338.19	4.04	-46.00
O=C(C1=CC=C(OCC2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191174	0	50	-1.0	-43.46	384.53	7.17	-36.29
O=C(C1=CC=C(OCC2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191174	1	50	-1.0	-43.44	384.61	7.19	-36.25
COCCOC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191175	0	41	-1.0	-45.45	335.01	3.05	-42.40
COCCOC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191175	1	41	-1.0	-45.41	335.08	3.07	-42.34
CCSC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020191176	0	36	-1.0	-44.13	310.24	3.87	-40.26
CCSC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020191176	1	36	-1.0	-44.09	310.17	3.85	-40.24
O=C(CCNC(=O)C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191177	0	40	-1.0	-52.34	343.60	3.27	-49.07
O=C(CCNC(=O)C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191177	1	40	-1.0	-52.34	343.68	3.29	-49.05
CC1=CC=C(C)N1C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C	REAL300020191178	0	44	-1.0	-46.23	362.40	6.23	-40.00
CC1=CC=C(C)N1C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C	REAL300020191178	1	44	-1.0	-46.23	362.32	6.23	-40.00
CCOC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191179	0	43	-1.0	-43.52	353.49	5.80	-37.72
CCOC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191179	1	43	-1.0	-43.57	353.56	5.81	-37.76
CNC(=O)COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020191180	0	45	-1.0	-52.89	369.17	2.16	-50.73
CNC(=O)COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020191180	1	45	-1.0	-52.88	369.24	2.18	-50.70
O=C(C1=CC(C2=CC=CC=C2)=NC2=CC(F)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020191181	0	45	-1.0	-40.53	375.34	7.81	-32.72
O=C(C1=CC(C2=CC=CC=C2)=NC2=CC(F)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020191181	1	45	-1.0	-40.55	375.27	7.79	-32.76
CC1=CC=C(OCC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)O2)C(C)=C1	REAL300020191182	0	47	-1.0	-42.82	390.58	6.93	-35.89
CC1=CC=C(OCC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)O2)C(C)=C1	REAL300020191182	1	47	-1.0	-42.83	390.65	6.93	-35.90
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Br)=C2)CCC1	REAL300020191183	0	40	-1.0	-45.51	335.30	6.53	-38.98
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Br)=C2)CCC1	REAL300020191183	1	40	-1.0	-45.52	335.38	6.55	-38.97
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=C(C)C=CC=C12	REAL300020191184	0	39	-1.0	-41.98	323.48	5.82	-36.16
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=C(C)C=CC=C12	REAL300020191184	1	39	-1.0	-42.00	323.55	5.83	-36.17
CN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=C1N(C)C(=O)N(C)C2=O	REAL300020191185	0	43	-1.0	-44.05	342.19	4.08	-39.97
CN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=C1N(C)C(=O)N(C)C2=O	REAL300020191185	1	43	-1.0	-44.01	342.27	4.10	-39.91
O=C(C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191186	0	44	-1.0	-44.97	378.03	7.35	-37.62
O=C(C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191186	1	44	-1.0	-45.00	378.10	7.36	-37.64
O=C(CN1C=CC2=CC=C(Cl)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020191187	0	37	-1.0	-47.55	330.58	6.72	-40.83
O=C(CN1C=CC2=CC=C(Cl)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020191187	1	37	-1.0	-47.50	330.66	6.73	-40.77
O=C(CCC1=CC(F)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191188	0	36	-1.0	-43.32	313.99	5.66	-37.66
O=C(CCC1=CC(F)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191188	1	36	-1.0	-43.28	314.07	5.68	-37.60
CC1=C(C)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)S1	REAL300020191189	0	36	-1.0	-51.51	312.50	3.49	-48.02
CC1=C(C)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)S1	REAL300020191189	1	36	-1.0	-51.50	312.57	3.50	-48.00
O=C(CCCNC(=O)C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191190	0	43	-1.0	-46.83	365.10	4.09	-42.74
O=C(CCCNC(=O)C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191190	1	43	-1.0	-46.86	365.17	4.10	-42.76
O=C(C1=NN2C=C(Br)C=NC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191191	0	31	-1.0	-45.11	295.27	5.16	-39.95
O=C(C1=NN2C=C(Br)C=NC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191191	1	31	-1.0	-45.10	295.20	5.15	-39.95
O=C(C1CC(=O)N(C2=CC(Cl)=CC(Cl)=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191192	0	41	-1.0	-44.01	364.40	5.86	-38.15
O=C(C1CC(=O)N(C2=CC(Cl)=CC(Cl)=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191192	1	41	-1.0	-44.06	364.48	5.87	-38.19
CC(C)NC(=O)CN(C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191193	0	44	-1.0	-53.57	352.10	0.33	-53.24
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CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020191284	0	53	-1.0	-45.21	403.31	5.72	-39.49
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CN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C1=CC=C(F)C=C1	REAL300020191291	0	41	-1.0	-43.59	334.77	6.38	-37.21
CN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C1=CC=C(F)C=C1	REAL300020191291	1	41	-1.0	-43.59	334.84	6.38	-37.21
CC(C)CN1N=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020191292	0	44	-1.0	-44.88	354.05	4.64	-40.24
CC(C)CN1N=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020191292	1	44	-1.0	-44.89	353.98	4.64	-40.25
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C(C)(C)C)=N1	REAL300020191293	0	41	-1.0	-41.21	336.55	4.06	-37.15
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C(C)(C)C)=N1	REAL300020191293	1	41	-1.0	-41.23	336.62	4.08	-37.15
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300020191294	0	37	-1.0	-38.58	323.97	5.53	-33.05
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300020191294	1	37	-1.0	-38.57	324.05	5.54	-33.03
O=C(CSCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020191295	0	39	-1.0	-53.14	361.93	6.52	-46.62
O=C(CSCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020191295	1	39	-1.0	-53.12	362.00	6.54	-46.58
CC1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020191296	0	40	-1.0	-48.15	335.81	6.88	-41.27
CC1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020191296	1	40	-1.0	-48.18	335.88	6.89	-41.29
CCCCN(CC)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191297	0	50	-1.0	-44.80	387.80	7.38	-37.42
CCCCN(CC)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191297	1	50	-1.0	-44.80	387.87	7.40	-37.40
CC(C)C1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1Cl	REAL300020191298	0	45	-1.0	-50.38	386.15	7.39	-42.99
CC(C)C1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1Cl	REAL300020191298	1	45	-1.0	-50.43	386.23	7.41	-43.02
O=C(C1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020191299	0	36	-1.0	-57.96	310.64	4.32	-53.64
O=C(C1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020191299	1	36	-1.0	-57.95	310.71	4.32	-53.63
NS(=O)(=O)C1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020191300	0	35	-1.0	-56.12	317.43	-2.96	-59.08
NS(=O)(=O)C1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020191300	1	35	-1.0	-56.11	317.36	-2.97	-59.08
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CCOC(CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1)OCC	REAL300020191302	0	46	-1.0	-43.96	378.22	2.31	-41.65
CCOC(CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1)OCC	REAL300020191302	1	46	-1.0	-43.95	378.15	2.30	-41.65
O=C(CSCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020191303	0	39	-1.0	-53.93	345.21	6.00	-47.93
O=C(CSCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020191303	1	39	-1.0	-53.96	345.29	6.02	-47.94
CCN1C=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020191304	0	43	-1.0	-47.89	356.93	7.46	-40.43
CCN1C=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020191304	1	43	-1.0	-47.88	357.00	7.46	-40.42
O=C(C1=CC=CC=C1OC1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191305	0	40	-1.0	-48.84	338.64	5.34	-43.50
O=C(C1=CC=CC=C1OC1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191305	1	40	-1.0	-48.86	338.57	5.34	-43.52
O=C(C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191306	0	38	-1.0	-45.48	348.18	5.93	-39.55
O=C(C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191306	1	38	-1.0	-45.44	348.10	5.92	-39.52
O=C(C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191307	0	38	-1.0	-44.27	348.19	5.93	-38.34
O=C(C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191307	1	38	-1.0	-44.31	348.12	5.92	-38.39
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020191308	0	39	-1.0	-40.80	333.09	6.73	-34.07
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020191308	1	39	-1.0	-40.79	333.17	6.73	-34.06
O=C(C1=CC=CC(CN2CCS(=O)(=O)CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191309	0	48	-1.0	-52.98	385.86	1.21	-51.77
O=C(C1=CC=CC(CN2CCS(=O)(=O)CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191309	1	48	-1.0	-53.01	385.94	1.23	-51.78
O=C(CCC1=NC(C2=NNC=N2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191310	0	37	-1.0	-51.96	328.44	1.32	-50.64
O=C(CCC1=NC(C2=NNC=N2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191310	1	37	-1.0	-51.98	328.51	1.32	-50.66
CC(OCC1CCCCO1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191311	0	44	-1.0	-47.99	345.53	3.91	-44.08
CC(OCC1CCCCO1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191311	1	44	-1.0	-47.95	345.60	3.92	-44.03
O=C(CCCOC1=CC=CC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020191312	0	40	-1.0	-49.92	363.31	6.19	-43.73
O=C(CCCOC1=CC=CC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020191312	1	40	-1.0	-49.93	363.38	6.20	-43.73
CC(=O)CCC1=CC=C(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191313	0	48	-1.0	-41.35	390.71	7.19	-34.16
CC(=O)CCC1=CC=C(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191313	1	48	-1.0	-41.38	390.78	7.21	-34.17
CC1=CC=C(C2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C(C)=C1	REAL300020191314	0	42	-1.0	-42.24	354.24	6.53	-35.71
CC1=CC=C(C2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C(C)=C1	REAL300020191314	1	42	-1.0	-42.21	354.31	6.53	-35.68
CC(C)(C)C1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2)C=C1	REAL300020191315	0	52	-1.0	-43.63	391.47	8.25	-35.38
CC(C)(C)C1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2)C=C1	REAL300020191315	1	52	-1.0	-43.67	391.54	8.26	-35.41
CC(=O)C1=CC=CC(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191316	0	42	-1.0	-55.51	343.94	5.45	-50.06
CC(=O)C1=CC=CC(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191316	1	42	-1.0	-55.55	344.02	5.47	-50.08
O=C(C1=CSC(C2=CC=C(Cl)C=C2Cl)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191317	0	36	-1.0	-43.59	339.55	6.17	-37.42
O=C(C1=CSC(C2=CC=C(Cl)C=C2Cl)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191317	1	36	-1.0	-43.59	339.48	6.16	-37.43
N#CCCCS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191318	0	43	-1.0	-57.95	374.38	3.32	-54.63
N#CCCCS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191318	1	43	-1.0	-57.98	374.45	3.34	-54.64
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COC1=CC=CC=C1C(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191320	0	43	-1.0	-42.74	325.30	5.40	-37.34
COC1=CC=CC=C1C(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191320	1	43	-1.0	-42.76	325.38	5.40	-37.36
CC(=CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020191321	0	40	-1.0	-41.41	348.60	7.06	-34.35
CC(=CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020191321	1	40	-1.0	-41.41	348.67	7.07	-34.34
O=C(CC1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020191322	0	33	-1.0	-43.42	311.36	5.69	-37.73
O=C(CC1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020191322	1	33	-1.0	-43.47	311.44	5.70	-37.77
NS(=O)(=O)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191323	0	38	-1.0	-53.50	328.17	-0.79	-54.29
NS(=O)(=O)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191323	1	38	-1.0	-53.48	328.24	-0.77	-54.25
CC1=NN(C)C(C)=C1C(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191324	0	42	-1.0	-46.59	328.30	3.62	-42.97
CC1=NN(C)C(C)=C1C(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191324	1	42	-1.0	-46.61	328.38	3.64	-42.97
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020191325	0	49	0.0	-62.41	379.60	6.98	-55.43
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020191325	1	49	0.0	-68.32	382.16	7.15	-61.17
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020191325	1	49	0.0	-62.47	379.67	6.99	-55.48
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020191325	1	49	0.0	-68.35	382.23	7.15	-61.20
COC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191326	0	42	-1.0	-43.49	351.65	4.70	-38.79
COC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191326	1	42	-1.0	-43.50	351.72	4.71	-38.79
COC1=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020191327	0	40	-1.0	-51.35	345.14	5.43	-45.92
COC1=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020191327	1	40	-1.0	-51.36	345.22	5.44	-45.92
CC(C)C1=CC=C(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191328	0	46	-1.0	-42.78	370.79	6.33	-36.45
CC(C)C1=CC=C(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191328	1	46	-1.0	-42.76	370.86	6.34	-36.42
O=C(C1=CC=CC2=C1OCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020191329	0	36	-1.0	-47.85	297.75	3.57	-44.28
O=C(C1=CC=CC2=C1OCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020191329	1	36	-1.0	-47.83	297.83	3.58	-44.25
CC1=CC=C(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020191330	0	40	-1.0	-42.50	352.41	5.74	-36.76
CC1=CC=C(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020191330	1	40	-1.0	-42.53	352.49	5.75	-36.78
O=C(C1=CC(Br)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191331	0	27	-1.0	-41.38	263.84	3.35	-38.03
O=C(C1=CC(Br)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191331	1	27	-1.0	-41.41	263.91	3.37	-38.04
O=C(CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191332	0	44	-1.0	-46.61	383.87	2.60	-44.01
O=C(CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191332	1	44	-1.0	-46.67	383.94	2.62	-44.05
CC(C)(C)CC(=O)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191333	0	49	-1.0	-52.11	370.83	5.73	-46.38
CC(C)(C)CC(=O)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191333	1	49	-1.0	-52.15	370.90	5.75	-46.40
COC1=CC=C(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NO2)C(F)=C1	REAL300020191334	0	40	-1.0	-41.83	349.33	4.67	-37.16
COC1=CC=C(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NO2)C(F)=C1	REAL300020191334	1	40	-1.0	-41.85	349.26	4.67	-37.18
CS(=O)(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020191335	0	38	-1.0	-51.27	337.89	0.85	-50.42
CS(=O)(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020191335	1	38	-1.0	-51.28	337.96	0.85	-50.43
O=C(C1=CC=C(N2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191336	0	43	-1.0	-44.70	333.82	2.37	-42.33
O=C(C1=CC=C(N2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191336	1	43	-1.0	-44.69	333.89	2.39	-42.30
CN1C=CN=C1SCC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191337	0	44	-1.0	-47.04	375.92	7.09	-39.95
CN1C=CN=C1SCC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191337	1	44	-1.0	-47.03	375.84	7.07	-39.96
COC1=CC=C(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191338	0	43	-1.0	-46.63	353.14	5.65	-40.98
COC1=CC=C(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191338	1	43	-1.0	-46.66	353.21	5.67	-40.99
CCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1Cl	REAL300020191339	0	42	-1.0	-49.95	365.35	6.96	-42.99
CCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1Cl	REAL300020191339	1	42	-1.0	-49.99	365.43	6.96	-43.03
O=C(CCC1=CC=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191340	0	36	-1.0	-42.64	328.89	6.23	-36.41
O=C(CCC1=CC=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191340	1	36	-1.0	-42.70	328.97	6.24	-36.46
CCN(CC1=CC=CC=C1)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191341	0	51	-1.0	-46.48	393.88	8.44	-38.04
CCN(CC1=CC=CC=C1)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191341	1	51	-1.0	-46.47	393.95	8.45	-38.02
CC(CC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191342	0	39	-1.0	-36.45	323.68	5.95	-30.50
CC(CC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191342	1	39	-1.0	-36.46	323.76	5.97	-30.49
CC(CC1=CC=CC(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191343	0	39	-1.0	-42.91	324.48	5.96	-36.95
CC(CC1=CC=CC(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191343	1	39	-1.0	-42.95	324.56	5.97	-36.98
C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020191344	0	38	-1.0	-47.96	340.30	2.59	-45.37
C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020191344	1	38	-1.0	-47.93	340.38	2.60	-45.33
CC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CCCC1=O	REAL300020191345	0	43	-1.0	-54.12	324.26	5.30	-48.82
CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCCC1=O	REAL300020191345	1	43	-1.0	-54.13	324.34	5.30	-48.83
COC1=CC(Cl)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191346	0	34	-1.0	-44.23	299.34	4.35	-39.88
COC1=CC(Cl)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191346	1	34	-1.0	-44.25	299.42	4.36	-39.89
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191347	0	35	-1.0	-42.87	300.53	5.00	-37.87
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191347	1	35	-1.0	-42.86	300.60	5.01	-37.85
O=C(CCCCC1SCC2NC(=O)NC12)N1CCC(C2=N[N-]N=N2)C1	REAL300020191348	0	47	-1.0	-55.49	383.01	2.38	-53.11
O=C(CCCCC1SCC2NC(=O)NC12)N1CCC(C2=NN=N[N-]2)C1	REAL300020191348	1	47	-1.0	-55.58	383.08	2.40	-53.18
CCN(C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300020191349	0	47	-1.0	-44.91	355.49	6.14	-38.77
CCN(C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020191349	1	47	-1.0	-44.87	355.57	6.15	-38.72
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191350	0	40	-2.0	-94.48	344.63	1.55	-92.93
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191350	1	40	-2.0	-94.46	344.70	1.56	-92.90
O=C(C1=CC=NC(N2C=NC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191351	0	35	-1.0	-49.84	300.80	5.47	-44.37
O=C(C1=CC=NC(N2C=NC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191351	1	35	-1.0	-49.80	300.73	5.45	-44.35
O=C(C1=CC=CC=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191352	0	43	-1.0	-44.79	340.74	3.38	-41.41
O=C(C1=CC=CC=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191352	1	43	-1.0	-44.81	340.82	3.40	-41.41
O=C(C1=CC=CN=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191353	0	42	-1.0	-45.75	338.28	2.37	-43.38
O=C(C1=CC=CN=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191353	1	42	-1.0	-45.75	338.20	2.37	-43.38
O=C(CC1C(=O)NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020191354	0	38	-1.0	-52.34	317.64	4.49	-47.85
O=C(CC1C(=O)NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020191354	1	38	-1.0	-52.26	317.71	4.50	-47.76
O=C(C1=NN(C2=CC=CC=C2Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191355	0	37	-1.0	-47.59	320.32	5.77	-41.82
O=C(C1=NN(C2=CC=CC=C2Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191355	1	37	-1.0	-47.59	320.24	5.76	-41.83
O=C(C1=CN=C(C2=CC=CC=C2Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191356	0	36	-1.0	-44.52	329.52	5.59	-38.93
O=C(C1=CN=C(C2=CC=CC=C2Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191356	1	36	-1.0	-44.53	329.44	5.57	-38.96
COC1=CC=C(Cl)C=C1NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191357	0	39	-1.0	-43.80	338.72	2.95	-40.85
COC1=CC=C(Cl)C=C1NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191357	1	39	-1.0	-43.82	338.80	2.96	-40.86
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O=C(CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191358	1	43	-1.0	-50.87	385.18	1.80	-49.07
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=CC=CC=C1	REAL300020191359	0	44	-1.0	-43.72	358.12	6.63	-37.09
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=CC=CC=C1	REAL300020191359	1	44	-1.0	-43.73	358.19	6.63	-37.10
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020191360	0	45	0.0	-69.43	349.20	5.38	-64.05
CCN(CC)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020191360	1	44	-1.0	-40.93	347.32	3.18	-37.75
CCN(CC)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020191360	1	44	-1.0	-40.94	347.39	3.18	-37.76
CN(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020191361	0	38	-1.0	-41.46	310.87	3.10	-38.36
CN(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020191361	1	38	-1.0	-41.49	310.94	3.11	-38.38
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CC(C)C1=NC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020191363	0	37	-1.0	-39.78	320.82	4.19	-35.59
CC(C)C1=NC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020191363	1	37	-1.0	-39.75	320.90	4.19	-35.56
O=C(C1=CC=C(C2=CC=CO2)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191364	0	37	-1.0	-55.85	324.47	2.60	-53.25
O=C(C1=CC=C(C2=CC=CO2)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191364	1	37	-1.0	-55.86	324.39	2.58	-53.28
O=C(CCCOCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191365	0	43	-1.0	-47.16	357.65	5.63	-41.53
O=C(CCCOCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191365	1	43	-1.0	-47.18	357.73	5.64	-41.54
O=C(C1=CC=C(S(=O)(=O)C2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191366	0	46	-1.0	-48.31	373.57	3.90	-44.41
O=C(C1=CC=C(S(=O)(=O)C2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191366	1	46	-1.0	-48.35	373.65	3.92	-44.43
CCCN(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191367	0	44	-1.0	-44.98	344.63	5.67	-39.31
CCCN(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191367	1	44	-1.0	-45.02	344.70	5.68	-39.34
CS(=O)(=O)C1=CC=C(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191368	0	46	-1.0	-54.58	392.77	2.69	-51.89
CS(=O)(=O)C1=CC=C(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191368	1	46	-1.0	-54.58	392.85	2.70	-51.88
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191369	0	35	-1.0	-55.13	312.73	5.24	-49.89
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191369	1	35	-1.0	-55.13	312.80	5.26	-49.87
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191370	0	51	0.0	-73.09	384.99	7.56	-65.53
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191370	1	51	0.0	-73.46	384.60	7.53	-65.93
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191370	1	51	0.0	-73.10	385.06	7.57	-65.53
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191370	1	51	0.0	-73.50	384.67	7.55	-65.95
CCCN(CC)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020191371	0	46	-1.0	-45.28	363.67	6.07	-39.21
CCCN(CC)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020191371	1	46	-1.0	-45.21	363.60	6.06	-39.15
O=C(C1=CSC(C2=CC=C(Cl)C(Cl)=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191372	0	36	-1.0	-43.79	351.88	6.23	-37.56
O=C(C1=CSC(C2=CC=C(Cl)C(Cl)=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191372	1	36	-1.0	-43.74	351.80	6.22	-37.52
CC1=NC2=CC=C(Br)C=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191373	0	38	-1.0	-42.87	334.99	5.31	-37.56
CC1=NC2=CC=C(Br)C=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191373	1	38	-1.0	-42.89	335.07	5.32	-37.57
COC1=CC=CC2=C1OCC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020191374	0	40	-1.0	-44.44	335.80	4.26	-40.18
COC1=CC=CC2=C1OCC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020191374	1	40	-1.0	-44.44	335.87	4.27	-40.17
O=C(C1=C(C2=CC=C(F)C=C2)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191375	0	37	-1.0	-43.21	322.80	6.40	-36.81
O=C(C1=C(C2=CC=C(F)C=C2)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191375	1	37	-1.0	-43.22	322.86	6.42	-36.80
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191376	0	46	-1.0	-45.86	371.63	6.12	-39.74
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191376	1	46	-1.0	-45.93	371.70	6.13	-39.80
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191377	0	47	-1.0	-46.95	381.82	8.60	-38.35
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191377	1	47	-1.0	-46.97	381.89	8.62	-38.35
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020191378	0	32	-1.0	-45.50	298.51	-2.25	-47.75
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020191378	1	32	-1.0	-45.53	298.59	-2.25	-47.78
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020191379	0	39	-1.0	-50.07	341.97	6.88	-43.19
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020191379	1	39	-1.0	-50.11	342.05	6.88	-43.23
CC1=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020191380	0	47	-1.0	-51.25	390.12	4.17	-47.08
CC1=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020191380	1	47	-1.0	-51.20	390.05	4.16	-47.04
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(S(N)(=O)=O)S1	REAL300020191381	0	35	-1.0	-46.74	314.48	-1.63	-48.37
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(S(N)(=O)=O)S1	REAL300020191381	1	35	-1.0	-46.74	314.55	-1.63	-48.37
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=S)NN=C1C1=CC=CS1	REAL300020191382	0	40	-1.0	-52.26	348.58	5.37	-46.89
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=S)NN=C1C1=CC=CS1	REAL300020191382	1	40	-1.0	-52.29	348.65	5.38	-46.91
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020191382	1	39	-2.0	-103.80	346.07	5.19	-98.61
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020191382	1	39	-2.0	-103.78	346.15	5.21	-98.57
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020191383	0	34	-1.0	-42.84	302.03	3.63	-39.21
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020191383	1	34	-1.0	-42.87	302.11	3.63	-39.24
O=C(C1=CC=C2OCOC2=C1)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191384	0	47	-1.0	-56.58	373.49	4.88	-51.70
O=C(C1=CC=C2OCOC2=C1)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191384	1	47	-1.0	-56.57	373.56	4.88	-51.69
COC1=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2)=CC=C1C	REAL300020191385	0	47	-1.0	-45.61	364.03	5.98	-39.63
COC1=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2)=CC=C1C	REAL300020191385	1	47	-1.0	-45.64	364.11	5.99	-39.65
O=C(C1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191386	0	42	-1.0	-44.02	364.44	1.46	-42.56
O=C(C1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191386	1	42	-1.0	-44.01	364.52	1.47	-42.54
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=C(Br)C=N1	REAL300020191387	0	36	-1.0	-44.00	309.16	4.03	-39.97
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=C(Br)C=N1	REAL300020191387	1	36	-1.0	-43.99	309.08	4.01	-39.98
CC(C)(C)OC(=O)N1CSCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191388	0	45	-1.0	-48.39	361.75	4.59	-43.80
CC(C)(C)OC(=O)N1CSCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191388	1	45	-1.0	-48.41	361.83	4.59	-43.82
O=C(C1=CC2=C(Br)C=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191389	0	34	-1.0	-43.66	305.32	4.70	-38.96
O=C(C1=CC2=C(Br)C=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191389	1	34	-1.0	-43.66	305.39	4.70	-38.96
O=C(CC1=CNC2=CC(F)=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020191390	0	37	-1.0	-47.23	319.04	4.90	-42.33
O=C(CC1=CNC2=CC(F)=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020191390	1	37	-1.0	-47.23	319.11	4.91	-42.32
COC1=CC(N2C=CC=C2)=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191391	0	42	-1.0	-43.74	361.40	7.06	-36.68
COC1=CC(N2C=CC=C2)=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191391	1	42	-1.0	-43.81	361.47	7.07	-36.74
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020191392	0	36	-1.0	-43.16	305.50	4.30	-38.86
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020191392	1	36	-1.0	-43.15	305.58	4.32	-38.83
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191393	0	49	0.0	-58.62	375.94	7.51	-51.11
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191393	1	49	0.0	-58.68	376.01	7.52	-51.16
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC(C2=CC=CC=C2)=N1	REAL300020191394	0	40	-1.0	-42.96	330.38	5.23	-37.73
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC(C2=CC=CC=C2)=N1	REAL300020191394	1	40	-1.0	-42.98	330.45	5.23	-37.75
CN(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020191395	0	41	-1.0	-43.05	326.22	3.55	-39.50
CN(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020191395	1	41	-1.0	-43.07	326.29	3.55	-39.52
C[NH+](C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020191395	1	42	0.0	-58.17	324.17	5.67	-52.50
O=C(C(OC1=CC=C(Cl)C=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191396	0	44	-1.0	-36.99	375.65	8.37	-28.62
O=C(C(OC1=CC=C(Cl)C=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191396	1	44	-1.0	-36.98	375.73	8.38	-28.60
CC(OC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191397	0	37	-1.0	-47.30	316.09	5.23	-42.07
CC(OC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191397	1	37	-1.0	-47.38	316.16	5.23	-42.15
O=C(C1=CC=CN1CC1=CC=NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191398	0	40	-1.0	-45.94	326.95	5.23	-40.71
O=C(C1=CC=CN1CC1=CC=NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191398	1	40	-1.0	-45.91	327.02	5.24	-40.67
O=C(CNS(=O)(=O)C1=CC=C2COCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191399	0	43	-1.0	-49.51	370.79	-0.25	-49.76
O=C(CNS(=O)(=O)C1=CC=C2COCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191399	1	43	-1.0	-49.52	370.86	-0.25	-49.77
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300020191400	0	51	0.0	-70.82	376.37	7.07	-63.75
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300020191400	1	51	0.0	-73.14	368.17	6.74	-66.40
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020191400	1	51	0.0	-70.88	376.44	7.08	-63.80
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020191400	1	51	0.0	-73.16	368.25	6.75	-66.41
O=C(C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191401	0	38	-1.0	-41.50	346.17	4.15	-37.35
O=C(C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191401	1	38	-1.0	-41.52	346.10	4.15	-37.37
CC1=CC=C(I)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191402	0	33	-1.0	-42.30	300.03	5.44	-36.86
CC1=CC=C(I)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191402	1	33	-1.0	-42.31	300.10	5.44	-36.87
CCCNC(=O)NC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191403	0	48	-1.0	-50.30	394.94	3.90	-46.40
CCCNC(=O)NC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191403	1	48	-1.0	-50.31	395.01	3.90	-46.41
CC1CCC(NS(=O)(=O)CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020191404	0	47	-1.0	-53.06	373.17	1.36	-51.70
CC1CCC(NS(=O)(=O)CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020191404	1	47	-1.0	-53.03	373.24	1.37	-51.66
COCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020191405	0	43	-1.0	-43.62	354.04	1.12	-42.50
COCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020191405	1	43	-1.0	-43.57	353.97	1.11	-42.46
O=C(CC1CCCC1)NC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020191406	0	56	-1.0	-39.79	420.04	6.33	-33.46
O=C(CC1CCCC1)NC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020191406	1	56	-1.0	-39.83	420.11	6.35	-33.48
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC2=CC=CC=C21	REAL300020191407	0	43	-1.0	-45.21	323.52	6.13	-39.08
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC2=CC=CC=C21	REAL300020191407	1	43	-1.0	-45.23	323.60	6.15	-39.08
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191408	0	40	-1.0	-41.94	347.89	7.12	-34.82
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191408	1	40	-1.0	-41.97	347.97	7.13	-34.84
O=C(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191409	0	42	-1.0	-49.89	370.50	4.40	-45.49
O=C(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191409	1	42	-1.0	-49.87	370.43	4.39	-45.48
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191410	0	39	-1.0	-42.85	328.75	4.31	-38.54
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191410	1	39	-1.0	-42.85	328.68	4.30	-38.55
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191411	0	39	-1.0	-42.89	334.74	5.09	-37.80
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191411	1	39	-1.0	-42.88	334.66	5.08	-37.80
O=C(CC1CCCCC1)NC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020191412	0	59	-1.0	-39.65	436.70	6.98	-32.67
O=C(CC1CCCCC1)NC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020191412	1	59	-1.0	-39.63	436.77	6.99	-32.64
O=C(C1=CSC(CC2=CC=C(F)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191413	0	39	-1.0	-45.37	349.69	5.99	-39.38
O=C(C1=CSC(CC2=CC=C(F)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191413	1	39	-1.0	-45.38	349.76	6.00	-39.38
CCCOC1=CC=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020191414	0	46	-1.0	-42.79	392.78	6.30	-36.49
CCCOC1=CC=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020191414	1	46	-1.0	-42.77	392.71	6.28	-36.49
O=C(CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191415	0	44	-1.0	-46.93	382.06	1.93	-45.00
O=C(CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191415	1	44	-1.0	-46.91	382.13	1.94	-44.97
CC1=CC=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CNC2=C1	REAL300020191416	0	40	-1.0	-47.87	334.00	5.49	-42.38
CC1=CC=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CNC2=C1	REAL300020191416	1	40	-1.0	-47.88	334.08	5.49	-42.39
O=C(C1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CCCC1	REAL300020191417	0	50	-1.0	-53.57	365.43	6.06	-47.51
O=C(C1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCCC1	REAL300020191417	1	50	-1.0	-53.57	365.51	6.09	-47.48
CC1=NC(CN2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)=CS1	REAL300020191418	0	47	-1.0	-45.00	381.17	3.21	-41.79
CC1=NC(CN2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)=CS1	REAL300020191418	1	47	-1.0	-44.96	381.24	3.21	-41.75
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)=CS1	REAL300020191418	1	48	0.0	-56.86	383.35	5.27	-51.59
O=C(CCN1C=CNC(=O)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191419	0	36	-1.0	-55.46	311.59	1.82	-53.64
O=C(CCN1C=CNC(=O)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191419	1	36	-1.0	-55.46	311.66	1.83	-53.63
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191419	1	35	-2.0	-90.06	308.19	0.70	-89.36
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191419	1	35	-2.0	-90.09	308.26	0.71	-89.38
CCC(C)C(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020191420	0	49	-1.0	-47.17	374.35	4.88	-42.29
CCC(C)C(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020191420	1	49	-1.0	-47.19	374.42	4.90	-42.29
CS(=O)(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020191421	0	38	-1.0	-51.63	328.83	0.35	-51.28
CS(=O)(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020191421	1	38	-1.0	-51.62	328.91	0.35	-51.27
O=C(C1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191422	0	39	-1.0	-42.13	359.04	6.27	-35.86
O=C(C1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191422	1	39	-1.0	-42.15	358.96	6.26	-35.89
O=C(CCNC(=O)C1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191423	0	46	-1.0	-51.69	363.00	3.47	-48.22
O=C(CCNC(=O)C1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191423	1	46	-1.0	-51.67	363.07	3.49	-48.18
CS(=O)(=O)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020191424	0	36	-1.0	-54.17	322.84	0.45	-53.72
CS(=O)(=O)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020191424	1	36	-1.0	-54.12	322.91	0.45	-53.67
O=C(NC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1)C1CCCC1	REAL300020191425	0	53	-1.0	-39.81	399.87	5.61	-34.20
O=C(NC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1)C1CCCC1	REAL300020191425	1	53	-1.0	-39.83	399.94	5.62	-34.21
O=C(C1=CC2=CNN=C2C=C1)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020191426	0	50	-1.0	-49.93	398.27	4.38	-45.55
O=C(C1=CC2=CNN=C2C=C1)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020191426	1	50	-1.0	-49.92	398.34	4.39	-45.53
CCC1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020191427	0	35	-1.0	-44.63	305.83	2.67	-41.96
CCC1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020191427	1	35	-1.0	-44.66	305.91	2.68	-41.98
CCC1=C([N+](=O)[O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1	REAL300020191427	1	35	-1.0	-49.73	309.26	2.76	-46.97
CCC1=C([N+](=O)[O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020191427	1	35	-1.0	-49.75	309.33	2.78	-46.97
O=C(C1=CC=C(N2C=NN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191428	0	36	-1.0	-49.52	300.88	6.52	-43.00
O=C(C1=CC=C(N2C=NN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191428	1	36	-1.0	-49.50	300.81	6.51	-42.99
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191429	0	35	-1.0	-40.58	300.14	4.99	-35.59
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191429	1	35	-1.0	-40.59	300.21	5.00	-35.59
NS(=O)(=O)C1=CC=C(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191430	0	42	-1.0	-49.03	364.76	-0.65	-49.68
NS(=O)(=O)C1=CC=C(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191430	1	42	-1.0	-49.02	364.84	-0.63	-49.65
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=C(Cl)C=CC=C1Cl	REAL300020191431	0	36	-1.0	-41.41	313.14	5.64	-35.77
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=C(Cl)C=CC=C1Cl	REAL300020191431	1	36	-1.0	-41.47	313.21	5.65	-35.82
CC1=CC=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020191432	0	49	-1.0	-42.29	347.00	7.02	-35.27
CC1=CC=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020191432	1	49	-1.0	-42.26	347.08	7.04	-35.22
CC1=NC(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1C	REAL300020191433	0	41	-1.0	-56.25	358.36	-0.69	-56.94
CC1=NC(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1C	REAL300020191433	1	41	-1.0	-56.19	358.44	-0.67	-56.86
CC1=NC(S(=O)(=O)NCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1C	REAL300020191434	0	44	-1.0	-58.04	380.40	0.01	-58.03
CC1=NC(S(=O)(=O)NCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1C	REAL300020191434	1	44	-1.0	-58.06	380.48	0.01	-58.05
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191435	0	47	-1.0	-46.10	369.04	4.96	-41.14
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191435	1	47	-1.0	-46.13	369.12	4.98	-41.15
CCN(CC)C(=O)CCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191436	0	45	-1.0	-54.52	361.37	4.77	-49.75
CCN(CC)C(=O)CCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191436	1	45	-1.0	-54.52	361.44	4.77	-49.75
COCCS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191437	0	43	-1.0	-49.10	365.70	1.09	-48.01
COCCS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191437	1	43	-1.0	-49.13	365.77	1.10	-48.03
O=C(CC1CCCC1)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191438	0	43	-1.0	-41.81	342.89	2.86	-38.95
O=C(CC1CCCC1)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191438	1	43	-1.0	-41.83	342.96	2.87	-38.96
CC(C)COC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020191439	0	50	-1.0	-48.22	392.54	5.19	-43.03
CC(C)COC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020191439	1	50	-1.0	-48.20	392.61	5.21	-42.99
CC(=O)N(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)CC1=CC=CC=C1	REAL300020191440	0	46	-1.0	-45.45	377.43	6.16	-39.29
CC(=O)N(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020191440	1	46	-1.0	-45.41	377.51	6.17	-39.24
CC(=O)C1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020191441	0	44	-1.0	-46.58	366.21	5.34	-41.24
CC(=O)C1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020191441	1	44	-1.0	-46.62	366.29	5.36	-41.26
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2)CCCCC1	REAL300020191442	0	46	-1.0	-42.76	353.36	7.21	-35.55
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2)CCCCC1	REAL300020191442	1	46	-1.0	-42.81	353.43	7.22	-35.59
O=C(C1=CC=CC=C1OCC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191443	0	41	-1.0	-48.24	336.34	6.22	-42.02
O=C(C1=CC=CC=C1OCC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191443	1	41	-1.0	-48.24	336.42	6.23	-42.01
CC1=CC=CC(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=N2)=C1	REAL300020191444	0	39	-1.0	-42.96	331.72	4.57	-38.39
CC1=CC=CC(N2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=N2)=C1	REAL300020191444	1	39	-1.0	-42.97	331.65	4.56	-38.41
O=C(C1=CC(F)=CC=C1I)N1CCC(C2=N[N-]N=N2)C1	REAL300020191445	0	30	-1.0	-40.50	285.07	4.84	-35.66
O=C(C1=CC(F)=CC=C1I)N1CCC(C2=NN=N[N-]2)C1	REAL300020191445	1	30	-1.0	-40.48	285.14	4.85	-35.63
O=C(C1=CSC(C2=C(F)C=CC=C2F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191446	0	36	-1.0	-45.38	325.62	5.37	-40.01
O=C(C1=CSC(C2=C(F)C=CC=C2F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191446	1	36	-1.0	-45.42	325.55	5.35	-40.07
CC(C)(C)C1=NOC(C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020191447	0	47	-1.0	-51.01	384.59	5.67	-45.34
CC(C)(C)C1=NOC(C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020191447	1	47	-1.0	-50.98	384.51	5.65	-45.33
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020191448	0	42	-2.0	-112.00	364.74	1.37	-110.63
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020191448	1	42	-2.0	-112.03	364.82	1.38	-110.65
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC(C2=NC=CC=N2)=N1	REAL300020191448	1	43	-1.0	-56.30	368.05	2.59	-53.71
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC(C2=NC=CC=N2)=N1	REAL300020191448	1	43	-1.0	-56.30	368.12	2.60	-53.70
CCC(C)N1N=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C)N=C21	REAL300020191449	0	47	-1.0	-43.67	380.60	5.63	-38.04
CCC(C)N1N=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C)N=C21	REAL300020191449	1	47	-1.0	-43.64	380.67	5.63	-38.01
O=C(CC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191450	0	33	-1.0	-44.13	302.03	5.38	-38.75
O=C(CC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191450	1	33	-1.0	-44.13	302.11	5.39	-38.74
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CO2)O1	REAL300020191451	0	39	-1.0	-53.52	339.57	1.87	-51.65
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CO2)O1	REAL300020191451	1	39	-1.0	-53.47	339.50	1.85	-51.62
COC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2)C=C1	REAL300020191452	0	44	-1.0	-45.35	343.50	5.21	-40.14
COC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2)C=C1	REAL300020191452	1	44	-1.0	-45.34	343.57	5.22	-40.12
O=C(CCC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191453	0	36	-1.0	-42.58	334.04	6.55	-36.03
O=C(CCC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191453	1	36	-1.0	-42.57	334.11	6.56	-36.01
O=C(C1=CC=C(OCC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191454	0	43	-1.0	-43.79	358.93	4.31	-39.48
O=C(C1=CC=C(OCC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191454	1	43	-1.0	-43.80	358.86	4.29	-39.51
CCC(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191455	0	53	-1.0	-54.25	402.70	8.15	-46.10
CCC(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191455	1	53	-1.0	-54.25	402.77	8.15	-46.10
O=C(C1=CN=C(C2=NC=CC=N2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191456	0	34	-1.0	-46.97	308.94	2.03	-44.94
O=C(C1=CN=C(C2=NC=CC=N2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191456	1	34	-1.0	-46.96	309.02	2.04	-44.92
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1C(C)C	REAL300020191457	0	48	-1.0	-49.05	387.80	8.13	-40.92
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1C(C)C	REAL300020191457	1	48	-1.0	-49.03	387.87	8.15	-40.88
CCN1C=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191458	0	34	-1.0	-41.34	297.84	4.63	-36.71
CCN1C=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191458	1	34	-1.0	-41.31	297.92	4.63	-36.68
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=C2F)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191459	0	39	-1.0	-43.87	347.53	4.77	-39.10
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=C2F)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191459	1	39	-1.0	-43.86	347.45	4.76	-39.10
O=C(C=CC1=CC=C(OC2=CC=CN=C2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191460	0	44	-1.0	-47.20	380.61	6.46	-40.74
O=C(C=CC1=CC=C(OC2=CC=CN=C2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191460	1	44	-1.0	-47.18	380.54	6.45	-40.73
CC1=CC=C(CCC(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191461	0	46	-1.0	-42.65	382.51	4.71	-37.94
CC1=CC=C(CCC(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191461	1	46	-1.0	-42.66	382.58	4.72	-37.94
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=O)NC2(CCCC2)C1=O	REAL300020191462	0	45	-1.0	-49.74	355.65	3.05	-46.69
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=O)NC2(CCCC2)C1=O	REAL300020191462	1	45	-1.0	-49.72	355.73	3.06	-46.66
O=C(C1=CC=NC(OC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191463	0	40	-1.0	-46.34	336.59	4.02	-42.32
O=C(C1=CC=NC(OC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191463	1	40	-1.0	-46.30	336.52	4.01	-42.29
CC(C)OC1=CC=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020191464	0	46	-1.0	-43.84	389.20	6.11	-37.73
CC(C)OC1=CC=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020191464	1	46	-1.0	-43.84	389.13	6.11	-37.73
N#CC1=CC=CC(OCC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)OC=C2)=C1	REAL300020191465	0	42	-1.0	-42.80	366.61	5.81	-36.99
N#CC1=CC=CC(OCC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)OC=C2)=C1	REAL300020191465	1	42	-1.0	-42.81	366.68	5.81	-37.00
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=CSC=C2)O1	REAL300020191466	0	39	-1.0	-50.54	348.27	2.79	-47.75
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=CSC=C2)O1	REAL300020191466	1	39	-1.0	-50.54	348.20	2.78	-47.76
O=C(CCC1=CC=CC(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191467	0	36	-1.0	-45.24	313.98	5.68	-39.56
O=C(CCC1=CC=CC(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191467	1	36	-1.0	-45.27	314.06	5.68	-39.59
O=C(C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191468	0	41	-1.0	-43.89	356.29	6.97	-36.92
O=C(C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191468	1	41	-1.0	-43.88	356.36	6.98	-36.90
COC1=CC=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020191469	0	44	-1.0	-45.88	341.66	5.26	-40.62
COC1=CC=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020191469	1	44	-1.0	-45.88	341.74	5.27	-40.61
CC1=NN(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1[N+](=O)[O-]	REAL300020191470	0	41	-1.0	-44.09	356.43	4.57	-39.52
CC1=NN(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1[N+](=O)[O-]	REAL300020191470	1	41	-1.0	-44.12	356.50	4.58	-39.54
COC1=CC=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020191471	0	41	-1.0	-46.53	332.36	5.26	-41.27
COC1=CC=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020191471	1	41	-1.0	-46.54	332.43	5.26	-41.28
O=C(C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191472	0	40	-1.0	-43.52	341.88	5.39	-38.13
O=C(C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191472	1	40	-1.0	-43.55	341.81	5.37	-38.18
O=C(C(OC1CCCC1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191473	0	47	-1.0	-44.78	370.76	7.52	-37.26
O=C(C(OC1CCCC1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191473	1	47	-1.0	-44.75	370.84	7.54	-37.21
CC(C)(C)C1=CC=C(CCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191474	0	54	-1.0	-43.36	421.34	9.46	-33.90
CC(C)(C)C1=CC=C(CCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191474	1	54	-1.0	-43.33	421.41	9.47	-33.86
CCCCCCCCCC=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191475	0	51	-1.0	-42.64	405.13	8.58	-34.06
CCCCCCCCCC=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191475	1	51	-1.0	-42.65	405.20	8.58	-34.07
CC(C)(C)C1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020191476	0	38	-1.0	-42.54	322.04	3.99	-38.55
CC(C)(C)C1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020191476	1	38	-1.0	-42.49	321.97	3.97	-38.52
O=C(C1=CSC(C2=CC=C3OCOC3=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191477	0	39	-1.0	-43.74	346.04	3.93	-39.81
O=C(C1=CSC(C2=CC=C3OCOC3=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191477	1	39	-1.0	-43.69	345.96	3.91	-39.78
O=C(C1=CC=C(N2CCCC2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191478	0	40	-1.0	-41.80	323.90	2.89	-38.91
O=C(C1=CC=C(N2CCCC2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191478	1	40	-1.0	-41.85	323.83	2.88	-38.97
COC1=CC=C(CN2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020191479	0	48	-1.0	-47.87	390.33	4.78	-43.09
COC1=CC=C(CN2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020191479	1	48	-1.0	-47.88	390.40	4.79	-43.09
O=C(CNC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191480	0	35	-1.0	-43.22	310.35	3.54	-39.68
O=C(CNC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191480	1	35	-1.0	-43.23	310.42	3.55	-39.68
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=C([N+](=O)[O-])C=N1	REAL300020191481	0	38	-1.0	-46.05	317.64	4.14	-41.91
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=C([N+](=O)[O-])C=N1	REAL300020191481	1	38	-1.0	-46.03	317.56	4.12	-41.91
CCC(CC)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020191482	0	45	-1.0	-43.43	347.55	6.60	-36.83
CCC(CC)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020191482	1	45	-1.0	-43.46	347.63	6.60	-36.86
CC(NC(=O)C1=C2C=CC=CC2=NN1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191483	0	43	-1.0	-44.03	360.81	1.89	-42.14
CC(NC(=O)C1=C2C=CC=CC2=NN1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191483	1	43	-1.0	-44.08	360.89	1.90	-42.18
O=C(C1CCCN1S(=O)(=O)C1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191484	0	42	-1.0	-57.20	363.65	3.19	-54.01
O=C(C1CCCN1S(=O)(=O)C1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191484	1	42	-1.0	-57.21	363.72	3.20	-54.01
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)NCC#N	REAL300020191485	0	42	-1.0	-53.36	361.61	1.18	-52.18
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)NCC#N	REAL300020191485	1	42	-1.0	-53.32	361.68	1.20	-52.12
O=C(CCNC(=O)C1=C2C=CC=CC2=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191486	0	43	-1.0	-54.43	364.26	1.93	-52.50
O=C(CCNC(=O)C1=C2C=CC=CC2=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191486	1	43	-1.0	-54.45	364.33	1.93	-52.52
O=C(CNS(=O)(=O)C1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191487	0	35	-1.0	-45.99	343.81	0.06	-45.93
O=C(CNS(=O)(=O)C1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191487	1	35	-1.0	-46.03	343.88	0.07	-45.96
CC(NC(=O)CC1CCCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191488	0	49	-1.0	-41.08	377.70	4.11	-36.97
CC(NC(=O)CC1CCCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191488	1	49	-1.0	-41.11	377.78	4.13	-36.98
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CCCCC2)=N1	REAL300020191489	0	46	-1.0	-47.06	356.22	5.22	-41.84
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CCCCC2)=N1	REAL300020191489	1	46	-1.0	-47.07	356.29	5.22	-41.85
O=C(CCC1CCCC1)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191490	0	46	-1.0	-41.83	365.38	3.63	-38.20
O=C(CCC1CCCC1)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191490	1	46	-1.0	-41.81	365.45	3.64	-38.17
CC1=CC(C(=O)N2CCCC2C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020191491	0	49	-1.0	-51.54	388.48	5.87	-45.67
CC1=CC(C(=O)N2CCCC2C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020191491	1	49	-1.0	-51.56	388.56	5.89	-45.67
CC1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191492	0	40	-1.0	-45.57	329.05	5.40	-40.17
CC1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191492	1	40	-1.0	-45.60	329.13	5.42	-40.18
CC(C)(C)N1C=CN=C1SCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191493	0	43	-1.0	-44.22	355.45	5.40	-38.82
CC(C)(C)N1C=CN=C1SCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191493	1	43	-1.0	-44.20	355.38	5.39	-38.81
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Br)=C1	REAL300020191494	0	39	-1.0	-44.50	322.72	6.19	-38.31
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Br)=C1	REAL300020191494	1	39	-1.0	-44.50	322.79	6.19	-38.31
CS(=O)(=O)CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020191495	0	42	-1.0	-52.77	364.48	2.88	-49.89
CS(=O)(=O)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020191495	1	42	-1.0	-52.73	364.55	2.89	-49.84
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191496	0	41	-1.0	-51.27	333.86	4.90	-46.37
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191496	1	41	-1.0	-51.28	333.93	4.91	-46.37
O=C(C1=NN(C2=CC=CC=C2)C(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191497	0	43	-1.0	-48.81	360.08	7.15	-41.66
O=C(C1=NN(C2=CC=CC=C2)C(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191497	1	43	-1.0	-48.81	360.16	7.16	-41.65
CC(C)(C)C1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020191498	0	41	-1.0	-46.48	347.47	4.26	-42.22
CC(C)(C)C1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020191498	1	41	-1.0	-46.45	347.54	4.26	-42.19
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1F	REAL300020191499	0	39	-1.0	-45.18	320.59	6.03	-39.15
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1F	REAL300020191499	1	39	-1.0	-45.17	320.67	6.03	-39.14
CC1(C)CC2=C(SC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C2=CC=CC=C21	REAL300020191500	0	47	-1.0	-42.91	379.38	8.38	-34.53
CC1(C)CC2=C(SC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C2=CC=CC=C21	REAL300020191500	1	47	-1.0	-42.94	379.45	8.39	-34.55
COCCOCC(=O)NC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020191501	0	54	-1.0	-45.47	425.04	3.29	-42.18
COCCOCC(=O)NC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020191501	1	54	-1.0	-45.46	425.11	3.31	-42.15
O=C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020191502	0	32	-1.0	-36.73	290.32	4.37	-32.36
O=C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020191502	1	32	-1.0	-36.70	290.39	4.38	-32.32
O=C(C1=CN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191503	0	39	-1.0	-43.99	347.22	5.47	-38.52
O=C(C1=CN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191503	1	39	-1.0	-44.03	347.29	5.47	-38.56
O=C(CN1C2=CC=CC=C2CCCC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191504	0	44	-1.0	-48.85	351.40	6.03	-42.82
O=C(CN1C2=CC=CC=C2CCCC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191504	1	44	-1.0	-48.82	351.48	6.04	-42.78
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191505	0	35	-1.0	-51.35	313.11	4.00	-47.35
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191505	1	35	-1.0	-51.35	313.18	4.00	-47.35
O=C(C1=C(C(F)(F)F)N(C2=CC=CC(F)=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191506	0	39	-1.0	-41.77	343.43	4.64	-37.13
O=C(C1=C(C(F)(F)F)N(C2=CC=CC(F)=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191506	1	39	-1.0	-41.78	343.36	4.63	-37.15
O=C(C1=CN=C2C(=C1)C=NN2C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191507	0	45	-1.0	-45.06	360.18	5.68	-39.38
O=C(C1=CN=C2C(=C1)C=NN2C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191507	1	45	-1.0	-45.06	360.10	5.66	-39.40
CCCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1Cl	REAL300020191508	0	45	-1.0	-49.74	386.85	7.73	-42.01
CCCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1Cl	REAL300020191508	1	45	-1.0	-49.78	386.93	7.73	-42.05
O=C(C1=NN(C2=CC=CC=C2Cl)C(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191509	0	43	-1.0	-50.68	377.54	7.92	-42.76
O=C(C1=NN(C2=CC=CC=C2Cl)C(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191509	1	43	-1.0	-50.68	377.62	7.93	-42.75
O=C(C1=CC=C(CN2C=C(Cl)C=N2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191510	0	37	-1.0	-44.98	338.73	4.42	-40.56
O=C(C1=CC=C(CN2C=C(Cl)C=N2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191510	1	37	-1.0	-44.95	338.66	4.42	-40.53
O=C(C1=CC=C(CN2C=C(Br)C=N2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191511	0	37	-1.0	-44.82	343.36	4.53	-40.29
O=C(C1=CC=C(CN2C=C(Br)C=N2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191511	1	37	-1.0	-44.86	343.29	4.52	-40.34
CC1=NSC2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020191512	0	34	-1.0	-43.65	297.25	2.39	-41.26
CC1=NSC2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020191512	1	34	-1.0	-43.66	297.32	2.41	-41.25
O=C(C1=CC(Br)=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191513	0	36	-1.0	-43.38	314.66	3.36	-40.02
O=C(C1=CC(Br)=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191513	1	36	-1.0	-43.41	314.73	3.36	-40.05
COC1=CC(Br)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191514	0	34	-1.0	-44.09	303.91	4.46	-39.63
COC1=CC(Br)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191514	1	34	-1.0	-44.08	303.98	4.46	-39.62
O=C(CC1CCCCC1)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191515	0	46	-1.0	-41.71	359.53	3.50	-38.21
O=C(CC1CCCCC1)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191515	1	46	-1.0	-41.71	359.60	3.51	-38.20
CS(=O)(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020191516	0	39	-1.0	-43.34	307.48	0.90	-42.44
CS(=O)(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020191516	1	39	-1.0	-43.33	307.56	0.90	-42.43
COC1=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC(F)(F)F	REAL300020191517	0	47	-1.0	-46.97	402.30	6.16	-40.81
COC1=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC(F)(F)F	REAL300020191517	1	47	-1.0	-47.01	402.37	6.17	-40.84
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191518	0	40	-1.0	-42.41	358.22	7.57	-34.84
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191518	1	40	-1.0	-42.38	358.30	7.58	-34.80
CC1=C([N+](=O)[O-])C(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020191519	0	40	-1.0	-38.17	342.57	6.38	-31.79
CC1=C([N+](=O)[O-])C(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020191519	1	40	-1.0	-38.20	342.65	6.39	-31.81
CC(C)OC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191520	0	43	-1.0	-45.89	348.81	5.68	-40.21
CC(C)OC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191520	1	43	-1.0	-45.91	348.88	5.69	-40.22
O=C(C1=CC=C(N2C=CN=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191521	0	35	-1.0	-44.17	303.03	4.79	-39.38
O=C(C1=CC=C(N2C=CN=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191521	1	35	-1.0	-44.21	303.11	4.79	-39.42
CC1=CC=CN2C=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)N=C12	REAL300020191522	0	39	-1.0	-56.08	328.07	5.97	-50.11
CC1=CC=CN2C=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020191522	1	39	-1.0	-56.09	328.14	5.98	-50.11
O=C(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191523	0	36	-1.0	-54.07	340.34	6.34	-47.73
O=C(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191523	1	36	-1.0	-54.11	340.42	6.35	-47.76
CC1=CC=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCC2)=C1	REAL300020191524	0	46	-1.0	-43.18	346.00	6.97	-36.21
CC1=CC=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCC2)=C1	REAL300020191524	1	46	-1.0	-43.19	346.07	6.98	-36.21
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191525	0	38	-1.0	-44.48	313.74	2.87	-41.61
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191525	1	38	-1.0	-44.49	313.82	2.88	-41.61
CC(C)C1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2)C=C1	REAL300020191526	0	49	-1.0	-42.42	374.71	7.82	-34.60
CC(C)C1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2)C=C1	REAL300020191526	1	49	-1.0	-42.43	374.79	7.82	-34.61
O=C(NCC1=CC=C(F)C=C1)C1=NC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191527	0	45	-1.0	-51.45	388.99	4.07	-47.38
O=C(NCC1=CC=C(F)C=C1)C1=NC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191527	1	45	-1.0	-51.45	388.91	4.06	-47.39
CN1C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN=C1C1=CC=CS1	REAL300020191528	0	40	-1.0	-46.12	364.33	6.11	-40.01
CN1C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=CS1	REAL300020191528	1	40	-1.0	-46.12	364.41	6.11	-40.01
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191529	0	43	-1.0	-46.43	356.88	8.21	-38.22
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191529	1	43	-1.0	-46.39	356.80	8.20	-38.19
COC1=CC=C(CCCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191530	0	49	-1.0	-46.33	396.12	7.23	-39.10
COC1=CC=C(CCCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191530	1	49	-1.0	-46.39	396.19	7.23	-39.16
CCSC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020191531	0	36	-1.0	-42.63	309.25	3.89	-38.74
CCSC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020191531	1	36	-1.0	-42.60	309.18	3.88	-38.72
CN(C)C(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191532	0	40	-1.0	-48.23	322.40	3.45	-44.78
CN(C)C(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191532	1	40	-1.0	-48.15	322.47	3.46	-44.69
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191533	0	52	-1.0	-39.24	387.39	4.39	-34.85
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191533	1	52	-1.0	-39.25	387.46	4.39	-34.86
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191534	0	39	-1.0	-50.92	343.73	1.46	-49.46
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191534	1	39	-1.0	-50.92	343.81	1.48	-49.44
CCCC(=O)N1CSCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191535	0	41	-1.0	-50.07	336.27	4.73	-45.34
CCCC(=O)N1CSCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191535	1	41	-1.0	-50.11	336.34	4.73	-45.38
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191536	0	40	-1.0	-42.52	348.13	5.36	-37.16
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191536	1	40	-1.0	-42.50	348.20	5.38	-37.12
O=C(C1=CC=C(OCC2CC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191537	0	40	-1.0	-42.80	330.70	2.84	-39.96
O=C(C1=CC=C(OCC2CC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191537	1	40	-1.0	-42.78	330.63	2.82	-39.96
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CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=NNC=N2)=N1	REAL300020191570	1	35	-1.0	-47.50	311.22	2.38	-45.12
COC1=CC=CC=C1NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191571	0	39	-1.0	-45.44	322.02	2.44	-43.00
COC1=CC=CC=C1NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191571	1	39	-1.0	-45.46	322.09	2.45	-43.01
CC(C)(C)CC(=O)N1CSCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191572	0	47	-1.0	-48.70	367.96	5.68	-43.02
CC(C)(C)CC(=O)N1CSCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191572	1	47	-1.0	-48.71	368.04	5.69	-43.02
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191573	0	42	-1.0	-52.32	332.01	-0.73	-53.05
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N#CC1=CC=C(OCC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020191576	0	42	-1.0	-45.99	369.91	5.90	-40.09
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CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1I	REAL300020191577	0	33	-1.0	-44.10	295.35	5.18	-38.92
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1I	REAL300020191577	1	33	-1.0	-44.14	295.42	5.20	-38.94
COC1=CC=CC=C1C(C)=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191578	0	41	-1.0	-43.85	338.94	5.39	-38.46
COC1=CC=CC=C1C(C)=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191578	1	41	-1.0	-43.86	339.01	5.41	-38.45
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)C1CCCC1	REAL300020191579	0	46	-1.0	-49.89	364.96	3.94	-45.95
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)C1CCCC1	REAL300020191579	1	46	-1.0	-49.88	365.03	3.95	-45.93
CC(SC1=CC=C(C#N)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191580	0	38	-1.0	-45.15	335.87	5.98	-39.17
CC(SC1=CC=C(C#N)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191580	1	38	-1.0	-45.16	335.95	6.00	-39.16
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(CC(C)C)=N1	REAL300020191581	0	41	-1.0	-41.16	336.14	4.24	-36.92
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(CC(C)C)=N1	REAL300020191581	1	41	-1.0	-41.11	336.22	4.25	-36.86
CC1(C)CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020191582	0	46	-1.0	-44.77	350.85	7.00	-37.77
CC1(C)CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020191582	1	46	-1.0	-44.76	350.92	7.00	-37.76
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CC(OC1=CC=CC=C1C(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191584	0	40	-1.0	-51.08	340.87	6.14	-44.94
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191584	1	40	-1.0	-51.07	340.94	6.14	-44.93
CC1CCN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)CC1	REAL300020191585	0	47	-1.0	-43.86	361.29	4.86	-39.00
CC1CCN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)CC1	REAL300020191585	1	47	-1.0	-43.83	361.22	4.86	-38.97
O=C(C1=CC=C(N2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191586	0	41	-1.0	-43.94	323.65	3.51	-40.43
O=C(C1=CC=C(N2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191586	1	41	-1.0	-43.93	323.57	3.50	-40.43
O=C(OCC(F)(F)F)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191587	0	41	-1.0	-50.02	355.22	3.69	-46.33
O=C(OCC(F)(F)F)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191587	1	41	-1.0	-50.03	355.29	3.70	-46.33
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C2OCCOC2=C1	REAL300020191588	0	42	-1.0	-45.91	339.94	4.32	-41.59
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CC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1CCCCC1	REAL300020191685	0	51	-1.0	-46.71	386.42	4.85	-41.86
CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1CCCCC1	REAL300020191685	1	51	-1.0	-46.73	386.49	4.87	-41.86
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020191686	0	39	-1.0	-43.76	307.58	5.83	-37.93
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020191686	1	39	-1.0	-43.83	307.65	5.83	-38.00
O=C(C1=NN(C2=CC=C(F)C=C2)C=CC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191687	0	39	-1.0	-56.06	331.23	6.45	-49.61
O=C(C1=NN(C2=CC=C(F)C=C2)C=CC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191687	1	39	-1.0	-56.03	331.31	6.46	-49.57
COC(=O)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191688	0	42	-1.0	-45.80	356.94	6.24	-39.56
COC(=O)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191688	1	42	-1.0	-45.78	357.01	6.25	-39.53
O=C(CC1OCCC2=C1SC=C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020191689	0	38	-1.0	-44.92	322.48	4.84	-40.08
O=C(CC1OCCC2=C1SC=C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020191689	1	38	-1.0	-44.95	322.56	4.84	-40.11
CC(C)C1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020191690	0	47	-1.0	-41.66	392.25	3.76	-37.90
CC(C)C1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020191690	1	47	-1.0	-41.65	392.17	3.73	-37.92
CC(C)C(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020191691	0	45	-1.0	-42.18	344.20	6.85	-35.33
CC(C)C(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020191691	1	45	-1.0	-42.17	344.27	6.85	-35.32
COCCN1C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C(C)=C1C	REAL300020191692	0	50	-1.0	-45.60	398.35	6.34	-39.26
COCCN1C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C(C)=C1C	REAL300020191692	1	50	-1.0	-45.62	398.42	6.34	-39.28
CN(C)C(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191693	0	40	-1.0	-47.90	321.09	3.41	-44.49
CN(C)C(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191693	1	40	-1.0	-47.87	321.16	3.42	-44.45
O=C(C1=CC2=C(CCOC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191694	0	35	-1.0	-42.81	296.94	2.97	-39.84
O=C(C1=CC2=C(CCOC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191694	1	35	-1.0	-42.82	297.01	2.98	-39.84
N#CC1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191695	0	35	-1.0	-46.35	320.09	5.64	-40.71
N#CC1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191695	1	35	-1.0	-46.39	320.16	5.65	-40.74
O=C(C1=CC=CC=C1CSC1=NNC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191696	0	40	-1.0	-52.31	349.30	5.75	-46.56
O=C(C1=CC=CC=C1CSC1=NNC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191696	1	40	-1.0	-52.28	349.37	5.76	-46.52
O=CC1=CC=C(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191697	0	39	-1.0	-45.40	333.71	4.14	-41.26
O=CC1=CC=C(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191697	1	39	-1.0	-45.38	333.78	4.15	-41.23
O=CC1=CC=CC(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191698	0	39	-1.0	-47.43	333.87	4.12	-43.31
O=CC1=CC=CC(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191698	1	39	-1.0	-47.45	333.94	4.14	-43.31
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)NS(=O)(=O)C1=CC=CN=C1Cl	REAL300020191699	0	43	-1.0	-55.80	381.58	0.61	-55.19
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)NS(=O)(=O)C1=CC=CN=C1Cl	REAL300020191699	1	43	-1.0	-55.76	381.51	0.61	-55.15
O=C(C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020191700	0	38	-2.0	-82.54	336.10	3.14	-79.40
O=C(C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020191700	1	38	-2.0	-82.51	336.03	3.13	-79.38
COC(=O)NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191701	0	38	-1.0	-44.81	317.37	2.25	-42.56
COC(=O)NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191701	1	38	-1.0	-44.80	317.44	2.25	-42.55
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191702	0	56	0.0	-60.12	419.87	8.44	-51.68
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191702	1	56	0.0	-57.54	418.19	8.55	-48.99
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191702	1	56	0.0	-60.13	419.95	8.44	-51.69
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191702	1	56	0.0	-57.50	418.27	8.56	-48.94
C[NH+](C)CCN1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020191703	0	46	0.0	-70.25	359.67	3.79	-66.46
C[NH+](C)CCN1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020191703	1	46	0.0	-70.27	359.74	3.79	-66.48
O=C(NC(=CC1=CC=CO1)C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020191704	0	45	-1.0	-53.86	379.08	6.25	-47.61
O=C(NC(=CC1=CC=CO1)C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020191704	1	45	-1.0	-53.83	379.16	6.27	-47.56
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1S(N)(=O)=O	REAL300020191705	0	38	-1.0	-48.12	319.61	-0.72	-48.84
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1S(N)(=O)=O	REAL300020191705	1	38	-1.0	-48.15	319.68	-0.71	-48.86
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020191706	0	50	-1.0	-43.90	380.98	3.23	-40.67
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020191706	1	50	-1.0	-43.90	381.05	3.25	-40.65
COC1=CC=CC(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191707	0	38	-1.0	-46.81	328.74	4.56	-42.25
COC1=CC=CC(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191707	1	38	-1.0	-46.78	328.82	4.56	-42.22
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020191708	0	53	0.0	-67.45	394.19	5.12	-62.33
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020191708	1	53	0.0	-64.49	394.52	5.00	-59.49
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020191708	1	53	0.0	-67.47	394.26	5.13	-62.34
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020191708	1	53	0.0	-64.51	394.59	5.01	-59.50
CCN(CC)S(=O)(=O)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191709	0	40	-1.0	-53.49	337.54	0.83	-52.66
CCN(CC)S(=O)(=O)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191709	1	40	-1.0	-53.49	337.61	0.84	-52.65
O=C(NC(=CC1=CC=CN=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020191710	0	47	-1.0	-52.80	389.12	6.31	-46.49
O=C(NC(=CC1=CC=CN=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020191710	1	47	-1.0	-52.86	389.19	6.32	-46.54
CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191711	0	39	-1.0	-49.41	341.93	2.22	-47.19
CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191711	1	39	-1.0	-49.46	342.00	2.22	-47.24
O=C(CSC1=NN=NN1CC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191712	0	35	-1.0	-44.79	334.70	2.65	-42.14
O=C(CSC1=NN=NN1CC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191712	1	35	-1.0	-44.79	334.63	2.64	-42.15
CC(C)C1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020191713	0	36	-1.0	-40.30	314.56	3.01	-37.29
CC(C)C1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020191713	1	36	-1.0	-40.31	314.64	3.01	-37.30
CC(=O)NCCNC(=O)CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191714	0	43	-1.0	-48.97	362.62	-0.72	-49.69
CC(=O)NCCNC(=O)CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191714	1	43	-1.0	-48.97	362.70	-0.72	-49.69
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191715	0	54	0.0	-70.97	410.61	6.64	-64.33
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191715	1	54	0.0	-71.03	410.68	6.66	-64.37
O=C(C1CCCCN1CC1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191716	0	47	-1.0	-46.53	365.82	3.57	-42.96
O=C(C1CCCCN1CC1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191716	1	47	-1.0	-46.53	365.90	3.59	-42.94
O=C(C1CCCC[N@@H+]1CC1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191716	1	48	0.0	-59.85	368.04	5.73	-54.12
O=C(C1CCCC[N@H+]1CC1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191716	1	48	0.0	-61.19	360.28	5.55	-55.64
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191717	0	52	0.0	-60.58	386.78	7.97	-52.61
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191717	1	52	0.0	-57.57	395.03	8.24	-49.33
O=C(CCC1=NC2=CC=CNC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191718	0	38	-1.0	-60.71	322.24	3.76	-56.95
O=C(CCC1=NC2=CC=CNC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191718	1	38	-1.0	-60.71	322.31	3.77	-56.94
O=C(CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020191719	0	39	-1.0	-51.00	359.40	3.74	-47.26
O=C(CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020191719	1	39	-1.0	-51.01	359.47	3.75	-47.26
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020191720	0	39	-1.0	-49.36	328.15	5.89	-43.47
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020191720	1	39	-1.0	-49.37	328.23	5.89	-43.48
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191721	0	39	-1.0	-47.86	350.54	2.65	-45.21
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191721	1	39	-1.0	-47.80	350.61	2.66	-45.14
COCCC1=CC=C(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191722	0	50	-1.0	-47.37	408.67	5.67	-41.70
COCCC1=CC=C(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191722	1	50	-1.0	-47.37	408.74	5.69	-41.68
O=C(CN1CC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191723	0	38	-1.0	-53.81	324.57	4.52	-49.29
O=C(CN1CC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191723	1	38	-1.0	-53.79	324.64	4.53	-49.26
O=C(CNC(=O)OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191724	0	34	-1.0	-42.32	311.67	0.22	-42.10
O=C(CNC(=O)OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191724	1	34	-1.0	-42.32	311.75	0.24	-42.08
CCC1=C2NC=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=CC=C1	REAL300020191725	0	43	-1.0	-48.32	355.55	6.24	-42.08
CCC1=C2NC=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=CC=C1	REAL300020191725	1	43	-1.0	-48.33	355.62	6.25	-42.08
O=CC1=CC=CC(OCC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020191726	0	46	-1.0	-51.41	384.59	6.55	-44.86
O=CC1=CC=CC(OCC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020191726	1	46	-1.0	-51.42	384.66	6.57	-44.85
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC(COC2=CC=C(C=O)C=C2)=C1	REAL300020191727	0	46	-1.0	-46.81	390.15	5.92	-40.89
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC(COC2=CC=C(C=O)C=C2)=C1	REAL300020191727	1	46	-1.0	-46.80	390.22	5.94	-40.86
O=CC1=CC=C(OCC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CO2)C=C1	REAL300020191728	0	43	-1.0	-50.40	364.38	4.85	-45.55
O=CC1=CC=C(OCC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CO2)C=C1	REAL300020191728	1	43	-1.0	-50.45	364.46	4.86	-45.59
COC1=CC(C=O)=C([N+](=O)[O-])C=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191729	0	42	-1.0	-56.54	366.63	5.92	-50.62
COC1=CC(C=O)=C([N+](=O)[O-])C=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191729	1	42	-1.0	-56.56	366.70	5.93	-50.63
O=CC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020191730	0	38	-1.0	-58.17	338.68	5.59	-52.58
O=CC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020191730	1	38	-1.0	-58.17	338.75	5.61	-52.56
O=CC1=CC=C(OC(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191731	0	36	-1.0	-43.50	318.36	4.44	-39.06
O=CC1=CC=C(OC(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191731	1	36	-1.0	-43.50	318.43	4.44	-39.06
CCCC1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020191732	0	38	-1.0	-44.44	327.33	3.45	-40.99
CCCC1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020191732	1	38	-1.0	-44.45	327.41	3.46	-40.99
CCCC1=C([N+](=O)[O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1	REAL300020191732	1	38	-1.0	-49.45	330.73	3.55	-45.90
CCCC1=C([N+](=O)[O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020191732	1	38	-1.0	-49.48	330.80	3.56	-45.92
O=C(C1=CNN=C1C1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191733	0	36	-1.0	-50.76	300.77	1.84	-48.92
O=C(C1=CNN=C1C1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191733	1	36	-1.0	-50.77	300.84	1.85	-48.92
CN(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020191734	0	41	-1.0	-43.84	340.30	4.15	-39.69
CN(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020191734	1	41	-1.0	-43.85	340.37	4.16	-39.69
C[NH+](C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020191734	1	42	0.0	-59.66	340.88	6.18	-53.48
COC1=CC=C(CN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020191735	0	44	-1.0	-46.44	365.90	4.56	-41.88
COC1=CC=C(CN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C=C1	REAL300020191735	1	44	-1.0	-46.48	365.82	4.56	-41.92
COC1=NC=NC(OC)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191736	0	36	-1.0	-45.64	313.79	-0.98	-46.62
COC1=NC=NC(OC)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191736	1	36	-1.0	-45.63	313.71	-1.00	-46.63
O=C(C1=C(F)C=CC(S(=O)(=O)NC2CC2)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191737	0	42	-1.0	-50.39	380.46	1.84	-48.55
O=C(C1=C(F)C=CC(S(=O)(=O)NC2CC2)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191737	1	42	-1.0	-50.40	380.53	1.86	-48.54
CC1OC2=C(C=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)NC1=O	REAL300020191738	0	39	-1.0	-48.62	324.02	2.48	-46.14
CC1OC2=C(C=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)NC1=O	REAL300020191738	1	39	-1.0	-48.61	324.09	2.49	-46.12
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N2N=CC=C2N1	REAL300020191739	0	39	-1.0	-63.68	329.62	3.04	-60.64
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N2N=CC=C2N1	REAL300020191739	1	39	-1.0	-63.66	329.69	3.05	-60.61
CC1=CC=C(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C3=C2CCC3)C(C)=C1	REAL300020191740	0	50	-1.0	-46.35	402.49	8.81	-37.54
CC1=CC=C(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C(C)=C1	REAL300020191740	1	50	-1.0	-46.36	402.56	8.81	-37.55
O=C(C(OC1=CC=C(F)C(F)=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191741	0	44	-1.0	-37.06	372.92	8.04	-29.02
O=C(C(OC1=CC=C(F)C(F)=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191741	1	44	-1.0	-37.09	372.99	8.05	-29.04
CCC1=CC=CC=C1OC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020191742	0	50	-1.0	-46.67	401.56	9.35	-37.32
CCC1=CC=CC=C1OC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020191742	1	50	-1.0	-46.70	401.63	9.36	-37.34
O=C(C1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191743	0	44	-1.0	-44.69	378.03	7.36	-37.33
O=C(C1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191743	1	44	-1.0	-44.71	378.10	7.37	-37.34
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1CC1CC1	REAL300020191744	0	44	-1.0	-45.62	348.44	6.71	-38.91
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1CC1CC1	REAL300020191744	1	44	-1.0	-45.65	348.51	6.72	-38.93
O=C(C1=CC=C(C2=NOC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191745	0	35	-1.0	-47.41	300.20	2.17	-45.24
O=C(C1=CC=C(C2=NOC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191745	1	35	-1.0	-47.41	300.13	2.15	-45.26
O=C(CC1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191746	0	36	-1.0	-44.84	309.74	5.44	-39.40
O=C(CC1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191746	1	36	-1.0	-44.84	309.82	5.44	-39.40
O=C(CCCC1=CC=C2NC(=O)CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191747	0	44	-1.0	-49.02	365.64	4.79	-44.23
O=C(CCCC1=CC=C2NC(=O)CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191747	1	44	-1.0	-49.00	365.71	4.81	-44.19
O=C(CC1=COC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191748	0	39	-1.0	-51.22	353.35	3.90	-47.32
O=C(CC1=COC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191748	1	39	-1.0	-51.21	353.28	3.88	-47.33
O=C(C1=CC=C(C2=CC=C(OC(F)F)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191749	0	41	-1.0	-44.96	359.48	5.97	-38.99
O=C(C1=CC=C(C2=CC=C(OC(F)F)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191749	1	41	-1.0	-44.94	359.55	5.99	-38.95
O=C(C1=CC=C(N2CCCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191750	0	42	-1.0	-45.32	330.31	3.95	-41.37
O=C(C1=CC=C(N2CCCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191750	1	42	-1.0	-45.33	330.38	3.96	-41.37
O=C(C1=CC=C(N2CCOCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191751	0	43	-1.0	-41.73	343.85	2.69	-39.04
O=C(C1=CC=C(N2CCOCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191751	1	43	-1.0	-41.72	343.93	2.70	-39.02
O=C(CCCC1=CC=C2NC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191752	0	43	-1.0	-50.82	359.41	3.18	-47.64
O=C(CCCC1=CC=C2NC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191752	1	43	-1.0	-50.81	359.48	3.19	-47.62
O=C(COC1=CC=CC=C1OCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191753	0	48	-1.0	-52.61	400.66	8.42	-44.19
O=C(COC1=CC=CC=C1OCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191753	1	48	-1.0	-52.63	400.73	8.42	-44.21
CC1CC2=CC=CC=C2N1CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CO1	REAL300020191754	0	49	-1.0	-44.56	378.47	5.59	-38.97
CC1CC2=CC=CC=C2N1CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CO1	REAL300020191754	1	49	-1.0	-44.56	378.54	5.62	-38.94
CC1=CC=C(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C3=C2CCC3)C(F)=C1	REAL300020191755	0	47	-1.0	-51.04	383.11	7.93	-43.11
CC1=CC=C(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C(F)=C1	REAL300020191755	1	47	-1.0	-51.04	383.19	7.93	-43.11
CCN(CC)C(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191756	0	46	-1.0	-47.86	362.11	5.31	-42.55
CCN(CC)C(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191756	1	46	-1.0	-47.87	362.19	5.32	-42.55
CCN(C)C(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191757	0	43	-1.0	-48.26	343.39	4.42	-43.84
CCN(C)C(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191757	1	43	-1.0	-48.18	343.47	4.44	-43.74
CCCN(CC)C(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191758	0	49	-1.0	-47.76	383.61	6.07	-41.69
CCCN(CC)C(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191758	1	49	-1.0	-47.78	383.69	6.08	-41.70
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020191759	0	42	-1.0	-52.67	358.63	4.41	-48.26
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020191759	1	42	-1.0	-52.65	358.70	4.42	-48.23
COC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(F)=C2)C(F)=C1	REAL300020191760	0	44	-1.0	-46.58	374.69	6.73	-39.85
COC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(F)=C2)C(F)=C1	REAL300020191760	1	44	-1.0	-46.57	374.77	6.74	-39.83
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191761	0	39	-1.0	-41.87	341.18	6.60	-35.27
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191761	1	39	-1.0	-41.93	341.25	6.61	-35.32
O=C(C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191762	0	37	-1.0	-46.07	346.39	6.33	-39.74
O=C(C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191762	1	37	-1.0	-46.09	346.32	6.33	-39.76
O=C(C1=NNC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191763	0	35	-1.0	-56.47	299.80	4.11	-52.36
O=C(C1=NNC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191763	1	35	-1.0	-56.50	299.87	4.12	-52.38
CN(C(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)C1=CC=CC=C1	REAL300020191764	0	47	-1.0	-49.26	371.13	6.49	-42.77
CN(C(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C1=CC=CC=C1	REAL300020191764	1	47	-1.0	-49.27	371.20	6.50	-42.77
O=C(C1=CC=C(Cl)C=C1)N1CSCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191765	0	42	-1.0	-49.20	364.00	6.50	-42.70
O=C(C1=CC=C(Cl)C=C1)N1CSCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191765	1	42	-1.0	-49.23	364.07	6.50	-42.73
O=C(NC1CC1)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020191766	0	41	-1.0	-39.04	329.41	2.42	-36.62
O=C(NC1CC1)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020191766	1	41	-1.0	-39.02	329.49	2.44	-36.58
O=C(CNC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191767	0	38	-1.0	-44.14	332.31	4.03	-40.11
O=C(CNC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191767	1	38	-1.0	-44.13	332.39	4.04	-40.09
O=C(C1=C(OC(F)F)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191768	0	31	-1.0	-46.62	280.16	3.29	-43.33
O=C(C1=C(OC(F)F)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191768	1	31	-1.0	-46.61	280.23	3.32	-43.29
O=C(CC1=CC=CC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191769	0	37	-1.0	-47.58	320.00	4.34	-43.24
O=C(CC1=CC=CC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191769	1	37	-1.0	-47.61	320.07	4.36	-43.25
CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(F)=C2)C=C1C	REAL300020191770	0	46	-1.0	-45.91	372.30	8.40	-37.51
CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(F)=C2)C=C1C	REAL300020191770	1	46	-1.0	-45.92	372.37	8.40	-37.52
COCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191771	0	48	-1.0	-52.35	401.27	5.17	-47.18
COCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191771	1	48	-1.0	-52.36	401.19	5.16	-47.20
O=C(C1CCN(C2=CC=C3OCCOC3=C2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191772	0	47	-1.0	-55.73	376.01	4.09	-51.64
O=C(C1CCN(C2=CC=C3OCCOC3=C2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191772	1	47	-1.0	-55.74	376.08	4.09	-51.65
COC1=CC=C(NC(=O)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191773	0	38	-1.0	-39.81	320.01	1.56	-38.25
COC1=CC=C(NC(=O)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191773	1	38	-1.0	-39.85	320.09	1.57	-38.28
CC(C)(C)OC(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020191774	0	47	-1.0	-48.86	376.86	3.91	-44.95
CC(C)(C)OC(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020191774	1	47	-1.0	-48.84	376.93	3.92	-44.92
O=C(CNC(=O)N1CCC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191775	0	46	-1.0	-43.54	371.39	4.49	-39.05
O=C(CNC(=O)N1CCC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191775	1	46	-1.0	-43.58	371.46	4.50	-39.08
O=C(CCNC(=O)N1CCC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191776	0	49	-1.0	-53.29	393.50	5.16	-48.13
O=C(CCNC(=O)N1CCC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191776	1	49	-1.0	-53.27	393.57	5.17	-48.10
O=C(C1=CC=C(OCC(F)(F)C(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191777	0	39	-1.0	-44.89	343.03	2.66	-42.23
O=C(C1=CC=C(OCC(F)(F)C(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191777	1	39	-1.0	-44.85	342.96	2.65	-42.20
CC(C)C1=CC=CC(OC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2)=C1	REAL300020191778	0	53	-1.0	-47.73	419.62	9.77	-37.96
CC(C)C1=CC=CC(OC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2)=C1	REAL300020191778	1	53	-1.0	-47.70	419.69	9.78	-37.92
CC1=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C3=CC=CN=C3)N=C2C=C1	REAL300020191779	0	47	-1.0	-45.25	385.45	6.59	-38.66
CC1=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C3=CC=CN=C3)N=C2C=C1	REAL300020191779	1	47	-1.0	-45.26	385.37	6.58	-38.68
CN1C=C(C2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=N1	REAL300020191780	0	36	-1.0	-45.04	321.99	2.44	-42.60
CN1C=C(C2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=N1	REAL300020191780	1	36	-1.0	-44.98	321.92	2.43	-42.55
O=C(C1CC(C2=CC(F)=CC=C2F)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191781	0	38	-1.0	-51.08	332.39	5.53	-45.55
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CC(C)COC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191791	1	46	-1.0	-45.28	373.76	6.50	-38.78
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CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020191792	1	46	0.0	-60.27	352.48	6.78	-53.49
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020191792	1	46	0.0	-60.75	353.39	6.81	-53.94
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C2C1	REAL300020191792	1	45	-1.0	-46.07	349.97	4.64	-41.43
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CC1=CC(Cl)=CC=C1OC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020191793	1	47	-1.0	-45.00	394.98	9.06	-35.94
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CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191795	1	50	-1.0	-52.62	378.69	5.48	-47.14
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191796	0	50	-1.0	-52.63	378.65	5.49	-47.14
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191796	1	50	-1.0	-52.63	378.72	5.50	-47.13
CCC1=CC=C(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C3=C2CCC3)C=C1	REAL300020191797	0	50	-1.0	-46.67	404.40	8.64	-38.03
CCC1=CC=C(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020191797	1	50	-1.0	-46.65	404.47	8.64	-38.01
COC1=CC=CC=C1CC(C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191798	0	46	-1.0	-45.35	360.71	6.31	-39.04
COC1=CC=CC=C1CC(C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191798	1	46	-1.0	-45.38	360.78	6.32	-39.06
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O=C(CCC1=NC2=CC(C(F)(F)F)=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191800	1	41	-1.0	-44.11	372.43	6.00	-38.11
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O=C(C1=CC=C(CN2C=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191802	0	41	-1.0	-46.51	338.51	7.13	-39.38
O=C(C1=CC=C(CN2C=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191802	1	41	-1.0	-46.50	338.58	7.14	-39.36
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O=C(CC1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191803	1	47	-1.0	-47.65	408.82	8.57	-39.08
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O=C(C1=CN(C2=CC=CC(Br)=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191804	1	37	-1.0	-44.07	332.15	5.42	-38.65
CCOC1=CC=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC1CCCC1	REAL300020191805	0	55	-1.0	-47.85	437.29	8.53	-39.32
CCOC1=CC=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC1CCCC1	REAL300020191805	1	55	-1.0	-47.83	437.36	8.55	-39.28
O=C(C1=CN=C(C2=CC=CO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191806	0	33	-1.0	-42.76	300.52	2.76	-40.00
O=C(C1=CN=C(C2=CC=CO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191806	1	33	-1.0	-42.73	300.45	2.75	-39.98
N#CCN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=CC=CC=C21	REAL300020191807	0	38	-1.0	-46.34	322.51	5.84	-40.50
N#CCN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C21	REAL300020191807	1	38	-1.0	-46.35	322.58	5.85	-40.50
CC1=CC(C)=C(C)C(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191808	0	46	-1.0	-43.76	369.07	6.35	-37.41
CC1=CC(C)=C(C)C(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191808	1	46	-1.0	-43.77	369.15	6.36	-37.41
O=C(C1=CC=C(N2CCCCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191809	0	47	-1.0	-44.36	351.60	4.64	-39.72
O=C(C1=CC=C(N2CCCCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191809	1	47	-1.0	-44.33	351.53	4.63	-39.70
O=C(CCC1=CC(Br)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191810	0	33	-1.0	-41.65	313.82	5.29	-36.36
O=C(CCC1=CC(Br)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191810	1	33	-1.0	-41.68	313.89	5.30	-36.38
CCC(CC)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020191811	0	45	-1.0	-42.28	362.81	7.00	-35.28
CCC(CC)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020191811	1	45	-1.0	-42.30	362.88	7.02	-35.28
N#CC1=C(F)C=CC=C1OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191812	0	42	-1.0	-51.57	365.54	6.81	-44.76
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O=C(CC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020191813	0	33	-1.0	-43.78	298.93	5.27	-38.51
O=C(CC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020191813	1	33	-1.0	-43.81	299.01	5.28	-38.53
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Cl	REAL300020191814	0	39	-1.0	-40.77	308.45	6.01	-34.76
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Cl	REAL300020191814	1	39	-1.0	-40.82	308.52	6.03	-34.79
CC1=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CNC2=CC=C1	REAL300020191815	0	40	-1.0	-47.67	326.59	5.18	-42.49
CC1=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CNC2=CC=C1	REAL300020191815	1	40	-1.0	-47.68	326.66	5.18	-42.50
CCOC1=CC2=C(C=C1C1CC1C(=O)N1CCC(C3=N[N-]N=N3)C1)OC(C)C2	REAL300020191816	0	52	-1.0	-48.96	407.13	6.86	-42.10
CCOC1=CC2=C(C=C1C1CC1C(=O)N1CCC(C3=NN=N[N-]3)C1)OC(C)C2	REAL300020191816	1	52	-1.0	-48.99	407.20	6.86	-42.13
COC1=CC=CC=C1CC(C)=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191817	0	44	-1.0	-44.83	354.65	6.29	-38.54
COC1=CC=CC=C1CC(C)=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191817	1	44	-1.0	-44.83	354.72	6.31	-38.52
O=C(C1=CC=C(C2=CC=C(Cl)C=C2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191818	0	40	-1.0	-46.06	350.66	7.72	-38.34
O=C(C1=CC=C(C2=CC=C(Cl)C=C2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191818	1	40	-1.0	-46.05	350.73	7.72	-38.33
CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(F)=C2)C=C1	REAL300020191819	0	43	-1.0	-45.90	355.33	7.87	-38.03
CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(F)=C2)C=C1	REAL300020191819	1	43	-1.0	-45.94	355.40	7.88	-38.06
COC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(F)=C2)C=C1	REAL300020191820	0	44	-1.0	-47.21	363.36	6.50	-40.71
COC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(F)=C2)C=C1	REAL300020191820	1	44	-1.0	-47.22	363.44	6.51	-40.71
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020191821	0	45	-1.0	-45.20	378.74	4.66	-40.54
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020191821	1	45	-1.0	-45.17	378.81	4.67	-40.50
O=C(C1=CC=CC2=C1OCC(=O)N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020191822	0	36	-1.0	-48.40	303.97	1.73	-46.67
O=C(C1=CC=CC2=C1OCC(=O)N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020191822	1	36	-1.0	-48.42	304.05	1.75	-46.67
O=C(C1=CC(Br)=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020191823	0	36	-1.0	-43.08	318.88	6.58	-36.50
O=C(C1=CC(Br)=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020191823	1	36	-1.0	-43.08	318.96	6.60	-36.48
O=C(C1=CC=C(I)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191824	0	30	-1.0	-42.15	283.33	4.71	-37.44
O=C(C1=CC=C(I)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191824	1	30	-1.0	-42.18	283.41	4.71	-37.47
O=C(C1=CC=C(N2C=CC=N2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191825	0	37	-1.0	-50.93	312.77	4.92	-46.01
O=C(C1=CC=C(N2C=CC=N2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191825	1	37	-1.0	-50.97	312.70	4.91	-46.06
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC=C1Cl	REAL300020191826	0	39	-1.0	-45.01	341.94	5.02	-39.99
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC=C1Cl	REAL300020191826	1	39	-1.0	-45.00	342.01	5.02	-39.98
O=C(C(SC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191827	0	44	-1.0	-42.92	386.35	8.82	-34.10
O=C(C(SC1=CC=C(F)C=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191827	1	44	-1.0	-42.92	386.42	8.84	-34.08
COC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020191828	0	40	-1.0	-42.14	309.02	4.10	-38.04
COC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020191828	1	40	-1.0	-42.14	309.09	4.12	-38.02
CC1=CC=C2C(=C1)SC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2Cl	REAL300020191829	0	36	-1.0	-42.82	323.28	6.30	-36.52
CC1=CC=C2C(=C1)SC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2Cl	REAL300020191829	1	36	-1.0	-42.83	323.35	6.31	-36.52
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191830	0	55	-1.0	-46.39	441.39	8.68	-37.71
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191830	1	55	-1.0	-46.44	441.46	8.69	-37.75
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020191831	0	46	-1.0	-44.93	388.38	1.92	-43.01
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020191831	1	46	-1.0	-44.93	388.46	1.93	-43.00
O=CC1=CC=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191832	0	36	-1.0	-55.26	312.91	4.41	-50.85
O=CC1=CC=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191832	1	36	-1.0	-55.27	312.98	4.42	-50.85
CN1C(=O)CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1C1=CC=CC=C1	REAL300020191833	0	47	-1.0	-44.24	370.67	5.73	-38.51
CN1C(=O)CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1C1=CC=CC=C1	REAL300020191833	1	47	-1.0	-44.29	370.75	5.74	-38.55
CN(C(=O)C1=CC=CO1)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191834	0	44	-1.0	-51.95	364.75	5.93	-46.02
CN(C(=O)C1=CC=CO1)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191834	1	44	-1.0	-52.00	364.83	5.94	-46.06
COC1=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCC2)=CC=C1C	REAL300020191835	0	50	-1.0	-43.48	374.24	6.34	-37.14
COC1=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCC2)=CC=C1C	REAL300020191835	1	50	-1.0	-43.52	374.32	6.35	-37.17
CC1=CC=C(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C3=C2CCCC3)C=C1	REAL300020191836	0	50	-1.0	-45.93	396.41	8.30	-37.63
CC1=CC=C(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C3=C2CCCC3)C=C1	REAL300020191836	1	50	-1.0	-45.96	396.49	8.31	-37.65
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC2=CN=CC=C21	REAL300020191837	0	44	-1.0	-47.37	365.47	4.99	-42.38
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC2=CN=CC=C21	REAL300020191837	1	44	-1.0	-47.36	365.40	4.98	-42.38
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C(OC(F)F)C=C1	REAL300020191838	0	43	-1.0	-44.59	366.04	3.96	-40.63
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C(OC(F)F)C=C1	REAL300020191838	1	43	-1.0	-44.60	366.11	3.97	-40.63
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020191839	0	34	-1.0	-43.30	297.86	3.52	-39.78
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020191839	1	34	-1.0	-43.31	297.94	3.52	-39.79
O=C(C1=CC=C(OC2=CC=C(F)C=C2F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191840	0	41	-1.0	-44.48	352.57	6.59	-37.89
O=C(C1=CC=C(OC2=CC=C(F)C=C2F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191840	1	41	-1.0	-44.48	352.64	6.60	-37.88
CC(C)(C)N1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2Cl)=N1	REAL300020191841	0	49	-1.0	-47.60	406.13	7.51	-40.09
CC(C)(C)N1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2Cl)=N1	REAL300020191841	1	49	-1.0	-47.58	406.06	7.50	-40.08
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC2=NC=CC=C12	REAL300020191842	0	44	-1.0	-44.71	365.39	4.89	-39.82
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC2=NC=CC=C12	REAL300020191842	1	44	-1.0	-44.74	365.32	4.88	-39.86
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300020191843	0	49	-1.0	-42.39	396.16	5.24	-37.15
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300020191843	1	49	-1.0	-42.38	396.24	5.25	-37.13
O=C(C1=CSC(C2=CC=C3OCCOC3=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191844	0	42	-1.0	-44.44	364.48	4.42	-40.02
O=C(C1=CSC(C2=CC=C3OCCOC3=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191844	1	42	-1.0	-44.40	364.40	4.41	-39.99
CCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020191845	0	40	-1.0	-43.46	321.35	4.53	-38.93
CCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020191845	1	40	-1.0	-43.44	321.42	4.55	-38.89
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2Cl)=N1	REAL300020191846	0	40	-1.0	-49.15	348.25	5.47	-43.68
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2Cl)=N1	REAL300020191846	1	40	-1.0	-49.11	348.18	5.47	-43.64
COC1=CC=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCC2)=C1	REAL300020191847	0	47	-1.0	-46.94	354.07	5.59	-41.35
COC1=CC=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCC2)=C1	REAL300020191847	1	47	-1.0	-47.00	354.14	5.61	-41.39
O=C(C1=CC=CC(OC2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191848	0	44	-1.0	-46.30	345.44	5.82	-40.48
O=C(C1=CC=CC(OC2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191848	1	44	-1.0	-46.35	345.51	5.83	-40.52
O=C(C1=C(C2=CC=CC=C2)OC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191849	0	46	-1.0	-43.86	389.61	6.89	-36.97
O=C(C1=C(C2=CC=CC=C2)OC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191849	1	46	-1.0	-43.85	389.54	6.89	-36.96
CC(C)(C)OC(=O)NCCOCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191850	0	47	-1.0	-51.29	381.73	1.97	-49.32
CC(C)(C)OC(=O)NCCOCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191850	1	47	-1.0	-51.28	381.81	1.99	-49.29
CC(C)(C)OC(=O)N(CC(=O)N1CCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300020191851	0	46	-1.0	-47.04	383.48	5.15	-41.89
CC(C)(C)OC(=O)N(CC(=O)N1CCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020191851	1	46	-1.0	-47.06	383.56	5.16	-41.90
CC(OC1=CC=CC=C1Br)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191852	0	37	-1.0	-48.25	323.81	5.75	-42.50
CC(OC1=CC=CC=C1Br)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191852	1	37	-1.0	-48.27	323.89	5.75	-42.52
O=C(CN1N=CN2N=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191853	0	35	-1.0	-52.28	309.02	2.94	-49.34
O=C(CN1N=CN2N=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191853	1	35	-1.0	-52.32	309.09	2.94	-49.38
O=C(C1CC1C1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191854	0	51	-1.0	-47.22	411.31	9.28	-37.94
O=C(C1CC1C1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191854	1	51	-1.0	-47.23	411.39	9.29	-37.94
O=C(CC1CCC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191855	0	43	-1.0	-45.35	338.82	7.18	-38.17
O=C(CC1CCC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191855	1	43	-1.0	-45.35	338.89	7.19	-38.16
O=C(C1=CC=CC=C1CS(=O)(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191856	0	46	-1.0	-53.73	392.48	5.12	-48.61
O=C(C1=CC=CC=C1CS(=O)(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191856	1	46	-1.0	-53.77	392.55	5.15	-48.62
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=CC=C1	REAL300020191857	0	41	-1.0	-42.25	337.98	5.88	-36.37
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=CC=C1	REAL300020191857	1	41	-1.0	-42.28	338.05	5.90	-36.38
O=C(CCCSC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191858	0	40	-1.0	-45.44	363.71	7.42	-38.02
O=C(CCCSC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191858	1	40	-1.0	-45.42	363.79	7.43	-37.99
O=C(C1=C(C2=CC=CC=C2)OC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191859	0	36	-1.0	-44.78	308.57	3.04	-41.74
O=C(C1=C(C2=CC=CC=C2)OC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191859	1	36	-1.0	-44.77	308.50	3.04	-41.73
CC(C)COC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191860	0	43	-1.0	-47.39	346.09	6.21	-41.18
CC(C)COC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191860	1	43	-1.0	-47.42	346.17	6.21	-41.21
O=C(CCCCOC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191861	0	43	-1.0	-43.91	374.88	6.58	-37.33
O=C(CCCCOC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191861	1	43	-1.0	-43.95	374.96	6.58	-37.37
CCOC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020191862	0	36	-1.0	-40.22	315.08	1.81	-38.41
CCOC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020191862	1	36	-1.0	-40.19	315.01	1.79	-38.40
CCCC(CC1CCCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191863	0	51	-1.0	-43.45	379.57	7.51	-35.94
CCCC(CC1CCCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191863	1	51	-1.0	-43.43	379.64	7.52	-35.91
CSCCC(NC(=O)CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191864	0	50	-1.0	-42.50	416.55	5.68	-36.82
CSCCC(NC(=O)CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191864	1	50	-1.0	-42.50	416.62	5.70	-36.80
O=C(CC1CCCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020191865	0	43	-1.0	-42.75	334.92	7.00	-35.75
O=C(CC1CCCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020191865	1	43	-1.0	-42.74	334.99	7.01	-35.73
O=C(CC1CCC(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191866	0	49	-1.0	-43.49	370.80	8.28	-35.21
O=C(CC1CCC(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191866	1	49	-1.0	-43.51	370.88	8.29	-35.22
CCC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020191867	0	45	-1.0	-43.65	353.52	6.92	-36.73
CCC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020191867	1	45	-1.0	-43.65	353.60	6.92	-36.73
CC1(C)CCC(C)(C)C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020191868	0	52	-1.0	-44.05	379.60	7.73	-36.32
CC1(C)CCC(C)(C)C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020191868	1	52	-1.0	-44.05	379.68	7.74	-36.31
O=C(CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020191869	0	39	-1.0	-44.17	353.35	6.35	-37.82
O=C(CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020191869	1	39	-1.0	-44.20	353.42	6.37	-37.83
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N(C)C1=O	REAL300020191870	0	36	-1.0	-50.84	308.59	2.21	-48.63
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N(C)C1=O	REAL300020191870	1	36	-1.0	-50.86	308.67	2.21	-48.65
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191871	0	37	-1.0	-47.37	325.83	5.71	-41.66
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191871	1	37	-1.0	-47.34	325.90	5.71	-41.63
CN1C(=O)C(=O)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020191872	0	34	-1.0	-48.41	305.69	1.02	-47.39
CN1C(=O)C(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020191872	1	34	-1.0	-48.43	305.76	1.03	-47.40
O=C(CCCCCNC(=O)NC1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191873	0	57	-1.0	-49.37	444.60	4.67	-44.70
O=C(CCCCCNC(=O)NC1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191873	1	57	-1.0	-49.37	444.68	4.68	-44.69
CN1C(=O)CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1C1=CC=CC(Cl)=C1	REAL300020191874	0	44	-1.0	-47.68	371.94	5.88	-41.80
CN1C(=O)CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1C1=CC=CC(Cl)=C1	REAL300020191874	1	44	-1.0	-47.68	372.02	5.88	-41.80
CC(=O)NCC(=O)N1CCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020191875	0	48	-1.0	-49.92	385.36	2.82	-47.10
CC(=O)NCC(=O)N1CCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020191875	1	48	-1.0	-49.95	385.43	2.82	-47.13
COC1=C(OC)C=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020191876	0	42	-1.0	-44.26	343.00	3.31	-40.95
COC1=C(OC)C=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020191876	1	42	-1.0	-44.28	343.07	3.34	-40.94
O=C(CC1=CC=C(Br)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191877	0	30	-1.0	-43.82	292.63	4.61	-39.21
O=C(CC1=CC=C(Br)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191877	1	30	-1.0	-43.86	292.70	4.62	-39.24
O=C(CCCN1C=CC=CC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191878	0	39	-1.0	-55.16	327.43	4.64	-50.52
O=C(CCCN1C=CC=CC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191878	1	39	-1.0	-55.16	327.50	4.66	-50.50
COC1=CC=C(S(=O)(=O)CC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191879	0	46	-1.0	-46.97	384.45	2.45	-44.52
COC1=CC=C(S(=O)(=O)CC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191879	1	46	-1.0	-46.92	384.52	2.45	-44.47
O=C(C1=CC=CC(N2C=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191880	0	37	-1.0	-53.61	308.45	4.77	-48.84
O=C(C1=CC=CC(N2C=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191880	1	37	-1.0	-53.61	308.37	4.75	-48.86
COCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191881	0	41	-1.0	-46.18	334.93	3.05	-43.13
COCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191881	1	41	-1.0	-46.19	335.00	3.07	-43.12
O=C(C1=CC=C([N+](=O)[O-])S1)N1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191882	0	43	-1.0	-51.72	374.85	4.97	-46.75
O=C(C1=CC=C([N+](=O)[O-])S1)N1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191882	1	43	-1.0	-51.73	374.93	4.99	-46.74
CC1=CC=C(S(=O)(=O)N2C=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020191883	0	44	-1.0	-48.90	378.65	4.52	-44.38
CC1=CC=C(S(=O)(=O)N2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020191883	1	44	-1.0	-48.89	378.73	4.52	-44.37
NC(=O)CC(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191884	0	48	-1.0	-51.25	399.04	1.87	-49.38
NC(=O)CC(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191884	1	48	-1.0	-51.24	399.11	1.89	-49.35
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191885	0	46	-1.0	-40.87	373.25	3.63	-37.24
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191885	1	46	-1.0	-40.90	373.33	3.63	-37.27
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2=CC=CC=C2C1	REAL300020191886	0	54	-1.0	-49.31	417.31	6.17	-43.14
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2=CC=CC=C2C1	REAL300020191886	1	54	-1.0	-49.31	417.39	6.18	-43.13
CC(=O)C1=CC=C(S(=O)(=O)CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020191887	0	41	-1.0	-60.57	367.03	2.38	-58.19
CC(=O)C1=CC=C(S(=O)(=O)CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020191887	1	41	-1.0	-60.58	367.11	2.39	-58.19
CC1=CC(OC(F)F)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020191888	0	34	-1.0	-46.55	301.98	4.08	-42.47
CC1=CC(OC(F)F)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020191888	1	34	-1.0	-46.54	302.05	4.08	-42.46
CC(CSC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191889	0	40	-1.0	-36.81	337.61	6.42	-30.39
CC(CSC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191889	1	40	-1.0	-36.79	337.69	6.43	-30.36
O=C(CC1=CC=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191890	0	37	-1.0	-47.17	318.78	4.41	-42.76
O=C(CC1=CC=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191890	1	37	-1.0	-47.17	318.86	4.42	-42.75
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191891	0	49	-1.0	-41.99	393.31	5.20	-36.79
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191891	1	49	-1.0	-41.96	393.38	5.21	-36.75
CC(C)C1=CC=C2C(=C1)SC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2Cl	REAL300020191892	0	42	-1.0	-42.16	362.03	7.56	-34.60
CC(C)C1=CC=C2C(=C1)SC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2Cl	REAL300020191892	1	42	-1.0	-42.13	362.10	7.57	-34.56
CC1CCC(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)CC1	REAL300020191893	0	50	-1.0	-44.99	379.71	5.54	-39.45
CC1CCC(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)CC1	REAL300020191893	1	50	-1.0	-45.02	379.78	5.56	-39.46
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300020191894	0	40	-1.0	-47.30	345.31	3.14	-44.16
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300020191894	1	40	-1.0	-47.32	345.38	3.16	-44.16
O=C(C1=CSC(C2=COC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191895	0	33	-1.0	-43.63	303.11	3.27	-40.36
O=C(C1=CSC(C2=COC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191895	1	33	-1.0	-43.62	303.04	3.27	-40.35
O=C(C1=C(S(=O)(=O)C(F)F)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191896	0	33	-1.0	-46.71	303.24	1.61	-45.10
O=C(C1=C(S(=O)(=O)C(F)F)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191896	1	33	-1.0	-46.72	303.31	1.62	-45.10
CCCC(CC1CCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191897	0	48	-1.0	-42.74	357.92	6.88	-35.86
CCCC(CC1CCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191897	1	48	-1.0	-42.75	358.00	6.90	-35.85
CC(C)C1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCC2)C=C1	REAL300020191898	0	52	-1.0	-42.57	384.90	8.22	-34.35
CC(C)C1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCC2)C=C1	REAL300020191898	1	52	-1.0	-42.60	384.97	8.22	-34.38
CC1=CC=CC=C1N1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020191899	0	40	-1.0	-44.95	332.11	5.77	-39.18
CC1=CC=CC=C1N1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020191899	1	40	-1.0	-44.88	332.04	5.76	-39.12
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020191900	0	43	-1.0	-49.76	357.46	5.94	-43.82
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020191900	1	43	-1.0	-49.75	357.54	5.95	-43.80
COC1=CC=C(C=O)C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191901	0	40	-1.0	-56.41	340.07	4.74	-51.67
COC1=CC=C(C=O)C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191901	1	40	-1.0	-56.40	340.14	4.75	-51.65
COC1=CC=CC=C1CC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191902	0	46	-1.0	-44.34	346.02	5.33	-39.01
COC1=CC=CC=C1CC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191902	1	46	-1.0	-44.36	346.09	5.34	-39.02
O=C(C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191903	0	44	-1.0	-46.06	370.33	6.33	-39.73
O=C(C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191903	1	44	-1.0	-46.06	370.40	6.35	-39.71
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC2=CC=CN=C2C=C1	REAL300020191904	0	44	-1.0	-44.08	367.88	4.76	-39.32
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC2=CC=CN=C2C=C1	REAL300020191904	1	44	-1.0	-44.07	367.81	4.74	-39.33
O=C(C=CC1=CC=C(N2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191905	0	47	-1.0	-45.04	373.60	4.04	-41.00
O=C(C=CC1=CC=C(N2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191905	1	47	-1.0	-45.02	373.67	4.06	-40.96
O=C(C1=CC=CC=C1)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020191906	0	47	-1.0	-47.08	370.39	5.66	-41.42
O=C(C1=CC=CC=C1)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020191906	1	47	-1.0	-47.08	370.46	5.68	-41.40
O=C(C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191907	0	41	-1.0	-43.30	352.28	6.56	-36.74
O=C(C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191907	1	41	-1.0	-43.30	352.36	6.57	-36.73
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191908	0	39	-1.0	-51.44	343.04	3.45	-47.99
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191908	1	39	-1.0	-51.47	342.96	3.43	-48.04
O=C(CC1=CC=C(Cl)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020191909	0	33	-1.0	-43.86	315.21	5.76	-38.10
O=C(CC1=CC=C(Cl)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020191909	1	33	-1.0	-43.85	315.29	5.78	-38.07
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C(F)C(Cl)=C1	REAL300020191910	0	39	-1.0	-40.74	349.42	4.94	-35.80
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C(F)C(Cl)=C1	REAL300020191910	1	39	-1.0	-40.74	349.50	4.95	-35.79
CN1C=C(C2=CN=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020191911	0	39	-1.0	-47.83	325.32	3.10	-44.73
CN1C=C(C2=CN=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020191911	1	39	-1.0	-47.91	325.40	3.10	-44.81
CC(C)(CCCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191912	0	48	-1.0	-43.33	365.39	7.47	-35.86
CC(C)(CCCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191912	1	48	-1.0	-43.37	365.46	7.49	-35.88
O=C(C1=CC=C(N2CCC(O)CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191913	0	46	-1.0	-45.70	353.84	1.47	-44.23
O=C(C1=CC=C(N2CCC(O)CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191913	1	46	-1.0	-45.69	353.91	1.49	-44.20
CC(C)C1=NC=CN1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191914	0	42	-1.0	-43.01	344.38	5.18	-37.83
CC(C)C1=NC=CN1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191914	1	42	-1.0	-43.02	344.45	5.20	-37.82
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191914	1	43	0.0	-58.00	341.74	5.67	-52.33
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191914	1	43	0.0	-57.95	341.82	5.67	-52.28
C[NH+](C)CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020191915	0	45	0.0	-54.33	358.52	6.34	-47.99
C[NH+](C)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020191915	1	45	0.0	-54.32	358.59	6.36	-47.96
CCN(CC)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020191916	0	50	-1.0	-41.76	396.34	5.76	-36.00
CC[NH+](CC)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020191916	1	51	0.0	-61.42	393.49	8.16	-53.26
CCN(CC)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020191916	1	50	-1.0	-41.76	396.42	5.78	-35.98
CC(C)(C)CNC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191917	0	49	-1.0	-47.36	385.21	4.92	-42.44
CC(C)(C)CNC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191917	1	49	-1.0	-47.38	385.28	4.93	-42.45
CC(C)(C)CC1=NC(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=NO1	REAL300020191918	0	50	-1.0	-44.46	400.48	5.57	-38.89
CC(C)(C)CC1=NC(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=NO1	REAL300020191918	1	50	-1.0	-44.45	400.40	5.56	-38.89
CN(CC(C)(C)C)C(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191919	0	52	-1.0	-47.74	391.91	6.29	-41.45
CN(CC(C)(C)C)C(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191919	1	52	-1.0	-47.73	391.99	6.30	-41.43
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=CN(C)N=C2)=N1	REAL300020191920	0	39	-1.0	-44.50	339.07	3.06	-41.44
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=CN(C)N=C2)=N1	REAL300020191920	1	39	-1.0	-44.52	338.99	3.06	-41.46
O=C(C1=CC(I)=CN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191921	0	28	-1.0	-43.13	265.99	3.06	-40.07
O=C(C1=CC(I)=CN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191921	1	28	-1.0	-43.13	266.06	3.07	-40.06
COC1=CC=C(C2C(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC(=O)N2C)C=C1	REAL300020191922	0	51	-1.0	-45.97	400.14	5.03	-40.94
COC1=CC=C(C2C(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC(=O)N2C)C=C1	REAL300020191922	1	51	-1.0	-45.99	400.22	5.04	-40.95
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191923	0	51	-1.0	-41.73	386.05	3.98	-37.75
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191923	1	51	-1.0	-41.79	386.12	3.98	-37.81
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020191924	0	39	-1.0	-44.64	318.15	6.08	-38.56
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020191924	1	39	-1.0	-44.61	318.22	6.09	-38.52
O=C(C1=CC=NC=C1)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020191925	0	46	-1.0	-47.01	365.45	3.91	-43.10
O=C(C1=CC=NC=C1)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020191925	1	46	-1.0	-46.99	365.38	3.89	-43.10
CCN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020191926	0	46	-1.0	-49.36	367.93	4.79	-44.57
CCN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020191926	1	46	-1.0	-49.37	368.01	4.80	-44.57
CC(C)(C)OC(=O)N1CCOCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191927	0	48	-1.0	-49.27	370.04	3.06	-46.21
CC(C)(C)OC(=O)N1CCOCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191927	1	48	-1.0	-49.25	370.11	3.07	-46.18
CC1=NN=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)O1	REAL300020191928	0	38	-1.0	-47.22	322.89	0.22	-47.00
CC1=NN=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)O1	REAL300020191928	1	38	-1.0	-47.22	322.97	0.24	-46.98
O=C(CC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191929	0	35	-1.0	-49.31	308.95	5.43	-43.88
O=C(CC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191929	1	35	-1.0	-49.28	309.02	5.45	-43.83
CC1=NNC(C)=C1CC(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191930	0	42	-1.0	-43.99	334.50	3.25	-40.74
CC1=NNC(C)=C1CC(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191930	1	42	-1.0	-44.04	334.58	3.27	-40.77
COC1=CC=C2SC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020191931	0	40	-1.0	-42.56	333.38	5.06	-37.50
COC1=CC=C2SC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020191931	1	40	-1.0	-42.56	333.46	5.06	-37.50
CC1=NC(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=NN1	REAL300020191932	0	39	-1.0	-47.71	326.92	4.27	-43.44
CC1=NC(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=NN1	REAL300020191932	1	39	-1.0	-47.74	326.99	4.29	-43.45
NC(=O)CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020191933	0	47	-1.0	-59.39	394.62	3.21	-56.18
NC(=O)CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020191933	1	47	-1.0	-59.41	394.69	3.21	-56.20
O=C(C1=CC(C2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191934	0	36	-1.0	-41.45	315.43	4.99	-36.46
O=C(C1=CC(C2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191934	1	36	-1.0	-41.45	315.36	4.99	-36.46
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191935	0	35	-1.0	-51.73	300.83	5.96	-45.77
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191935	1	35	-1.0	-51.75	300.90	5.97	-45.78
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191936	0	43	-1.0	-44.59	364.49	4.59	-40.00
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191936	1	43	-1.0	-44.60	364.56	4.60	-40.00
O=C(NCC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191937	0	37	-1.0	-38.88	322.75	2.47	-36.41
O=C(NCC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191937	1	37	-1.0	-38.92	322.82	2.49	-36.43
O=C(C1=NNC(=O)C=C1)N1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191938	0	46	-1.0	-53.96	369.64	2.83	-51.13
O=C(C1=NNC(=O)C=C1)N1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191938	1	46	-1.0	-53.99	369.71	2.83	-51.16
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC(C2=CC=CC=C2)=N1	REAL300020191939	0	39	-1.0	-41.03	331.34	3.24	-37.79
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC(C2=CC=CC=C2)=N1	REAL300020191939	1	39	-1.0	-41.01	331.27	3.22	-37.79
CC(C)C(CC1CCCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191940	0	51	-1.0	-43.29	368.63	7.12	-36.17
CC(C)C(CC1CCCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191940	1	51	-1.0	-43.30	368.70	7.13	-36.17
CCN1N=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020191941	0	36	-1.0	-42.14	322.36	3.58	-38.56
CCN1N=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020191941	1	36	-1.0	-42.11	322.44	3.58	-38.53
CC(C)C1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1F	REAL300020191942	0	45	-1.0	-51.85	377.63	6.86	-44.99
CC(C)C1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1F	REAL300020191942	1	45	-1.0	-51.90	377.70	6.87	-45.03
O=C(OCC1=CC=CC=C1)N1C[C@H](O)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191943	0	49	-1.0	-49.83	408.03	3.10	-46.73
O=C(OCC1=CC=CC=C1)N1C[C@H](O)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191943	1	49	-1.0	-49.87	408.11	3.10	-46.77
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191944	0	42	0.0	-71.87	340.03	4.62	-67.25
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191944	1	42	0.0	-71.82	339.95	4.60	-67.22
COC1=CC=CC(NC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191945	0	46	-1.0	-47.43	376.36	5.55	-41.88
COC1=CC=CC(NC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191945	1	46	-1.0	-47.44	376.43	5.55	-41.89
O=C(C1=CC=C(C2=CC=CC=C2)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191946	0	38	-1.0	-43.23	315.69	5.52	-37.71
O=C(C1=CC=C(C2=CC=CC=C2)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191946	1	38	-1.0	-43.26	315.77	5.53	-37.73
O=C(C1CC1C1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191947	0	37	-1.0	-43.69	312.41	6.04	-37.65
O=C(C1CC1C1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191947	1	37	-1.0	-43.71	312.48	6.06	-37.65
CC1=NN(CCCl)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191948	0	39	-1.0	-43.51	343.37	4.29	-39.22
CC1=NN(CCCl)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191948	1	39	-1.0	-43.49	343.44	4.31	-39.18
CC1=CC=C(N2C=CN=C2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191949	0	40	-1.0	-49.44	333.58	6.83	-42.61
CC1=CC=C(N2C=CN=C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191949	1	40	-1.0	-49.45	333.65	6.84	-42.61
O=C(CCNC1=NC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020191950	0	40	-1.0	-44.62	366.19	4.66	-39.96
O=C(CCNC1=NC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020191950	1	40	-1.0	-44.63	366.11	4.66	-39.97
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC1=CC=NC=C1	REAL300020191951	0	43	-1.0	-47.43	353.70	5.35	-42.08
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC1=CC=NC=C1	REAL300020191951	1	43	-1.0	-47.45	353.78	5.36	-42.09
N#CC1=CC=C(OCC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020191952	0	45	-1.0	-48.13	382.15	7.23	-40.90
N#CC1=CC=C(OCC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020191952	1	45	-1.0	-48.09	382.22	7.25	-40.84
O=C(C1=C(C2CCCO2)OC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191953	0	37	-1.0	-44.02	306.74	0.40	-43.62
O=C(C1=C(C2CCCO2)OC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191953	1	37	-1.0	-44.06	306.67	0.40	-43.66
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(F)=C1	REAL300020191954	0	39	-1.0	-43.89	321.97	6.05	-37.84
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(F)=C1	REAL300020191954	1	39	-1.0	-43.92	322.05	6.07	-37.85
CCC(CC1CCCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191955	0	48	-1.0	-42.32	358.01	6.75	-35.57
CCC(CC1CCCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191955	1	48	-1.0	-42.30	358.08	6.76	-35.54
CCC(CC1=CC=CC(Br)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191956	0	42	-1.0	-42.11	358.17	7.14	-34.97
CCC(CC1=CC=CC(Br)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191956	1	42	-1.0	-42.08	358.25	7.15	-34.93
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191957	0	44	-1.0	-51.16	363.58	4.99	-46.17
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191957	1	44	-1.0	-51.22	363.66	5.00	-46.22
N#CCC1=CC=C(OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020191958	0	45	-1.0	-49.07	380.98	7.59	-41.48
N#CCC1=CC=C(OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020191958	1	45	-1.0	-49.08	381.06	7.60	-41.48
COCCOC1=CC=C(N2N=C(C)C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020191959	0	50	-1.0	-42.77	415.12	3.91	-38.86
COCCOC1=CC=C(N2N=C(C)C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020191959	1	50	-1.0	-42.79	415.19	3.92	-38.87
O=C(C=CC1=CSC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191960	0	31	-1.0	-43.22	301.53	4.93	-38.29
O=C(C=CC1=CSC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191960	1	31	-1.0	-43.25	301.61	4.94	-38.31
CN(C)S(=O)(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020191961	0	38	-1.0	-56.50	333.49	1.95	-54.55
CN(C)S(=O)(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020191961	1	38	-1.0	-56.49	333.57	1.96	-54.53
O=C(C1=CC(Cl)=NC(N2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191962	0	41	-1.0	-40.55	341.26	3.95	-36.60
O=C(C1=CC(Cl)=NC(N2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191962	1	41	-1.0	-40.52	341.19	3.93	-36.59
O=C(C1=CSC(C2=CC=C(O)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191963	0	37	-1.0	-44.17	330.91	2.40	-41.77
O=C(C1=CSC(C2=CC=C(O)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191963	1	37	-1.0	-44.18	330.99	2.42	-41.76
CCCCN(C)C1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191964	0	50	-1.0	-43.14	408.04	7.08	-36.06
CCCCN(C)C1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191964	1	50	-1.0	-43.16	408.11	7.09	-36.07
O=C(C1=CC=CC=C1OC1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191965	0	41	-1.0	-47.95	330.74	6.15	-41.80
O=C(C1=CC=CC=C1OC1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191965	1	41	-1.0	-47.92	330.82	6.16	-41.76
COC1=CC=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(C)O2)C=C1	REAL300020191966	0	43	-1.0	-41.85	360.60	3.25	-38.60
COC1=CC=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(C)O2)C=C1	REAL300020191966	1	43	-1.0	-41.85	360.53	3.23	-38.62
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(Cl)C=C2)CC2CCC1C2	REAL300020191967	0	50	-1.0	-47.52	379.40	8.69	-38.83
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(Cl)C=C2)CC2CCC1C2	REAL300020191967	1	50	-1.0	-47.50	379.47	8.71	-38.79
O=C(CCNC(=O)C1=NC=CC=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191968	0	40	-1.0	-53.58	343.26	0.07	-53.51
O=C(CCNC(=O)C1=NC=CC=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191968	1	40	-1.0	-53.61	343.34	0.08	-53.53
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020191968	1	39	-2.0	-103.41	339.70	1.07	-102.34
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020191968	1	39	-2.0	-103.44	339.77	1.08	-102.36
CC1=CC(F)=CC=C1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020191969	0	43	-1.0	-41.69	358.69	7.77	-33.92
CC1=CC(F)=CC=C1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020191969	1	43	-1.0	-41.65	358.77	7.78	-33.87
O=C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020191970	0	32	-1.0	-36.62	294.88	4.47	-32.15
O=C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020191970	1	32	-1.0	-36.59	294.96	4.49	-32.10
O=C(C1=CC=CC(OC2=CC=NC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191971	0	40	-1.0	-43.41	333.84	4.66	-38.75
O=C(C1=CC=CC(OC2=CC=NC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191971	1	40	-1.0	-43.50	333.92	4.68	-38.82
O=C(C1CSC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020191972	0	35	-1.0	-46.18	303.11	5.38	-40.80
O=C(C1CSC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020191972	1	35	-1.0	-46.19	303.18	5.39	-40.80
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020191973	0	33	-1.0	-48.69	300.59	-0.33	-49.02
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020191973	1	33	-1.0	-48.67	300.67	-0.33	-49.00
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191974	0	40	-1.0	-39.17	327.96	4.89	-34.28
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191974	1	40	-1.0	-39.15	328.03	4.90	-34.25
CC1=CC=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1C	REAL300020191975	0	40	-1.0	-42.68	322.02	5.28	-37.40
CC1=CC=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1C	REAL300020191975	1	40	-1.0	-42.75	322.09	5.29	-37.46
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=CC(F)=C1	REAL300020191976	0	37	-1.0	-40.92	311.51	4.81	-36.11
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=CC(F)=C1	REAL300020191976	1	37	-1.0	-40.97	311.58	4.81	-36.16
N#CC1=CC(Cl)=CC=C1OC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191977	0	42	-1.0	-45.95	375.77	7.31	-38.64
N#CC1=CC(Cl)=CC=C1OC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191977	1	42	-1.0	-46.00	375.84	7.32	-38.68
N#CC1=C(Cl)C=CC=C1OC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191978	0	42	-1.0	-48.11	374.46	7.22	-40.89
N#CC1=C(Cl)C=CC=C1OC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191978	1	42	-1.0	-48.14	374.53	7.23	-40.91
CC1=CC=C(OCC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020191979	0	46	-1.0	-46.37	377.82	5.65	-40.72
CC1=CC=C(OCC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020191979	1	46	-1.0	-46.39	377.89	5.67	-40.72
CC(C)N1C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2N=C1C(F)(F)F	REAL300020191980	0	45	-1.0	-43.43	370.96	6.17	-37.26
CC(C)N1C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2N=C1C(F)(F)F	REAL300020191980	1	45	-1.0	-43.40	370.88	6.17	-37.23
O=C(C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191981	0	40	-1.0	-42.02	351.11	5.26	-36.76
O=C(C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191981	1	40	-1.0	-41.99	351.18	5.27	-36.72
CC1=CC=C(N2CCCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191982	0	45	-1.0	-45.68	353.21	5.58	-40.10
CC1=CC=C(N2CCCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191982	1	45	-1.0	-45.73	353.29	5.58	-40.15
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCN1C(=O)C1=CC=CC=C1	REAL300020191983	0	47	-1.0	-54.99	357.20	5.82	-49.17
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCN1C(=O)C1=CC=CC=C1	REAL300020191983	1	47	-1.0	-54.91	357.28	5.84	-49.07
O=C(C1=CC(=O)C2=CC(Br)=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191984	0	36	-1.0	-42.92	332.75	4.25	-38.67
O=C(C1=CC(=O)C2=CC(Br)=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191984	1	36	-1.0	-42.92	332.82	4.25	-38.67
CC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCOCC2)C=C1	REAL300020191985	0	47	-1.0	-43.07	351.72	5.10	-37.97
CC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCOCC2)C=C1	REAL300020191985	1	47	-1.0	-43.05	351.79	5.12	-37.93
O=C(C1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191986	0	44	-1.0	-46.32	367.73	6.90	-39.42
O=C(C1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191986	1	44	-1.0	-46.35	367.81	6.92	-39.43
N#CCOC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191987	0	38	-1.0	-49.40	331.44	4.78	-44.62
N#CCOC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191987	1	38	-1.0	-49.38	331.51	4.79	-44.59
O=C(C1=CC=CC=C1OC1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191988	0	44	-1.0	-47.55	349.53	6.65	-40.90
O=C(C1=CC=CC=C1OC1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191988	1	44	-1.0	-47.58	349.61	6.65	-40.93
O=C(CN1C(=O)CCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020191989	0	41	-1.0	-49.26	335.98	5.36	-43.90
O=C(CN1C(=O)CCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020191989	1	41	-1.0	-49.30	336.06	5.37	-43.93
O=C(C1CC1C1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020191990	0	43	-1.0	-45.67	350.59	8.19	-37.48
O=C(C1CC1C1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020191990	1	43	-1.0	-45.70	350.66	8.20	-37.50
N#CC1=CC=CC(OCCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191991	0	44	-1.0	-46.22	374.43	6.34	-39.88
N#CC1=CC=CC(OCCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191991	1	44	-1.0	-46.24	374.50	6.35	-39.89
COC1=CC=C(C(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191992	0	40	-1.0	-44.27	326.55	4.45	-39.82
COC1=CC=C(C(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191992	1	40	-1.0	-44.26	326.62	4.46	-39.80
CC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(C)C)=N1	REAL300020191993	0	40	-1.0	-40.11	325.66	3.65	-36.46
CC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(C)C)=N1	REAL300020191993	1	40	-1.0	-40.10	325.74	3.67	-36.43
CC(C)COC1=CC=C(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020191994	0	52	-1.0	-45.41	394.11	7.47	-37.94
CC(C)COC1=CC=C(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020191994	1	52	-1.0	-45.40	394.18	7.48	-37.92
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020191995	0	47	0.0	-64.64	367.74	3.93	-60.71
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020191995	1	47	0.0	-63.64	368.15	3.90	-59.74
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020191995	1	47	0.0	-64.69	367.81	3.95	-60.74
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020191995	1	47	0.0	-63.67	368.23	3.90	-59.77
CC1=CC=C(NC(=O)N(C)C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191996	0	45	-1.0	-44.66	361.85	4.39	-40.27
CC1=CC=C(NC(=O)N(C)C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191996	1	45	-1.0	-44.67	361.93	4.40	-40.27
CCC(SC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191997	0	40	-1.0	-43.63	333.65	6.25	-37.38
CCC(SC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191997	1	40	-1.0	-43.62	333.72	6.27	-37.35
CS(=O)(=O)NC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191998	0	41	-1.0	-47.26	350.59	1.56	-45.70
CS(=O)(=O)NC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191998	1	41	-1.0	-47.30	350.66	1.57	-45.73
O=C(CC1=NOC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020191999	0	39	-1.0	-51.79	334.99	5.90	-45.89
O=C(CC1=NOC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020191999	1	39	-1.0	-51.74	334.92	5.88	-45.86
O=C(C1=C(C(F)F)N(C2=NC=CC=C2Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192000	0	39	-1.0	-47.10	343.48	6.33	-40.77
O=C(C1=C(C(F)F)N(C2=NC=CC=C2Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192000	1	39	-1.0	-47.11	343.41	6.31	-40.80
O=C(C1=CSC(I)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192001	0	27	-1.0	-40.61	269.34	3.78	-36.83
O=C(C1=CSC(I)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192001	1	27	-1.0	-40.64	269.41	3.79	-36.85
O=C(C1=CC(F)=CC=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192002	0	43	-1.0	-42.95	347.10	3.44	-39.51
O=C(C1=CC(F)=CC=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192002	1	43	-1.0	-43.02	347.17	3.44	-39.58
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCN(C(=O)C2=CC=CC=C2)C1	REAL300020192003	0	50	-1.0	-45.53	376.05	5.92	-39.61
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCN(C(=O)C2=CC=CC=C2)C1	REAL300020192003	1	50	-1.0	-45.55	376.12	5.92	-39.63
CC1=CC=C(C2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=CO2)C=C1	REAL300020192004	0	39	-1.0	-44.88	330.01	3.74	-41.14
CC1=CC=C(C2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=CO2)C=C1	REAL300020192004	1	39	-1.0	-44.86	329.93	3.72	-41.14
O=C(C1CC12CCOC1=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020192005	0	42	-1.0	-46.88	332.07	5.39	-41.49
O=C(C1CC12CCOC1=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020192005	1	42	-1.0	-46.89	332.14	5.40	-41.49
O=C(CN(CC1=CC=CO1)C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192006	0	45	-1.0	-44.85	388.15	7.46	-37.39
O=C(CN(CC1=CC=CO1)C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192006	1	45	-1.0	-44.86	388.23	7.46	-37.40
O=C(C1=CN(C2CCCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192007	0	43	-1.0	-43.25	336.79	4.64	-38.61
O=C(C1=CN(C2CCCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192007	1	43	-1.0	-43.27	336.71	4.64	-38.63
CNC(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192008	0	37	-1.0	-48.48	306.49	1.85	-46.63
CNC(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192008	1	37	-1.0	-48.44	306.57	1.86	-46.58
CC1=CC=CC(Cl)=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192009	0	37	-1.0	-46.95	329.69	6.06	-40.89
CC1=CC=CC(Cl)=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192009	1	37	-1.0	-46.97	329.76	6.08	-40.89
CC1=C(C)N(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)S1	REAL300020192010	0	39	-1.0	-46.45	332.85	3.93	-42.52
CC1=C(C)N(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)S1	REAL300020192010	1	39	-1.0	-46.48	332.93	3.95	-42.53
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(F)=C2)CC1	REAL300020192011	0	37	-1.0	-48.37	311.49	5.72	-42.65
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(F)=C2)CC1	REAL300020192011	1	37	-1.0	-48.32	311.57	5.73	-42.59
O=C(C1CC1C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192012	0	37	-1.0	-44.24	333.54	7.01	-37.23
O=C(C1CC1C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192012	1	37	-1.0	-44.23	333.61	7.02	-37.21
CC(C)(C)CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192013	0	49	-1.0	-44.33	398.30	5.81	-38.52
CC(C)(C)CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192013	1	49	-1.0	-44.32	398.37	5.81	-38.51
CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192014	0	46	-1.0	-46.12	383.06	5.27	-40.85
CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192014	1	46	-1.0	-46.17	383.13	5.27	-40.90
N#CC1=CC=CC(OCC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020192015	0	45	-1.0	-48.85	382.17	7.22	-41.63
N#CC1=CC=CC(OCC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020192015	1	45	-1.0	-48.92	382.24	7.23	-41.69
CCOC(=O)N1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1C1=CC=C(C)O1	REAL300020192016	0	51	-1.0	-54.24	415.73	6.40	-47.84
CCOC(=O)N1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1C1=CC=C(C)O1	REAL300020192016	1	51	-1.0	-54.25	415.80	6.42	-47.83
O=C(CCC1=CC(Cl)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192017	0	33	-1.0	-41.66	309.23	5.18	-36.48
O=C(CCC1=CC(Cl)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192017	1	33	-1.0	-41.70	309.30	5.19	-36.51
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192018	0	49	-1.0	-51.40	385.92	5.94	-45.46
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192018	1	49	-1.0	-51.38	385.99	5.96	-45.42
CC(C)=CCOC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192019	0	44	-1.0	-43.30	353.78	5.82	-37.48
CC(C)=CCOC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192019	1	44	-1.0	-43.36	353.85	5.83	-37.53
O=C(C1=CC=CC(OC2=NC=CS2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192020	0	37	-1.0	-44.75	325.31	2.31	-42.44
O=C(C1=CC=CC(OC2=NC=CS2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192020	1	37	-1.0	-44.68	325.24	2.30	-42.38
O=C(C1=CC=CC(OC2=CN=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192021	0	39	-1.0	-44.51	331.40	2.09	-42.42
O=C(C1=CC=CC(OC2=CN=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192021	1	39	-1.0	-44.48	331.33	2.08	-42.40
O=C(C1=CC=CN=C1SCC1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192022	0	49	-1.0	-45.78	392.86	7.30	-38.48
O=C(C1=CC=CN=C1SCC1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192022	1	49	-1.0	-45.74	392.78	7.29	-38.45
O=C(CC1=CNC2=CC=C(F)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020192023	0	37	-1.0	-48.73	319.12	4.90	-43.83
O=C(CC1=CNC2=CC=C(F)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020192023	1	37	-1.0	-48.73	319.20	4.90	-43.83
N#CC1=CC=CC=C1OCC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192024	0	45	-1.0	-51.13	381.55	7.26	-43.87
N#CC1=CC=CC=C1OCC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192024	1	45	-1.0	-51.09	381.63	7.27	-43.82
COC1=CC=C2C(=C1)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C(C)N2C1CCCC1	REAL300020192025	0	54	-1.0	-50.41	417.87	7.79	-42.62
COC1=CC=C2C(=C1)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C(C)N2C1CCCC1	REAL300020192025	1	54	-1.0	-50.43	417.94	7.80	-42.63
CC(OC1=CC=CC(Br)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192026	0	37	-1.0	-37.69	324.41	5.68	-32.01
CC(OC1=CC=CC(Br)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192026	1	37	-1.0	-37.73	324.49	5.70	-32.03
O=C(CCN1C(=O)CCC2=CC(F)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020192027	0	44	-1.0	-46.44	363.33	5.99	-40.45
O=C(CCN1C(=O)CCC2=CC(F)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020192027	1	44	-1.0	-46.39	363.41	5.99	-40.40
O=C(C1=CNC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192028	0	28	-1.0	-42.78	258.93	2.05	-40.73
O=C(C1=CNC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192028	1	28	-1.0	-42.80	259.00	2.07	-40.73
CCC1=NC(COC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=NO1	REAL300020192029	0	45	-1.0	-48.50	374.27	3.13	-45.37
CCC1=NC(COC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=NO1	REAL300020192029	1	45	-1.0	-48.51	374.35	3.14	-45.37
O=C(CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192030	0	41	-1.0	-44.35	370.39	2.06	-42.29
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CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192080	1	42	-1.0	-37.66	356.04	6.90	-30.76
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O=C(C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192081	1	38	-1.0	-53.45	336.40	5.79	-47.66
O=C(C1=COC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192082	0	36	-1.0	-42.21	313.18	3.12	-39.09
O=C(C1=COC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192082	1	36	-1.0	-42.17	313.11	3.11	-39.06
CSC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020192083	0	37	-1.0	-44.62	319.00	5.69	-38.93
CSC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020192083	1	37	-1.0	-44.62	319.07	5.69	-38.93
CN(C)C(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192084	0	42	-1.0	-47.97	339.07	3.24	-44.73
CN(C)C(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192084	1	42	-1.0	-47.99	339.14	3.25	-44.74
O=C(CC1=CSC(C2=COC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192085	0	36	-1.0	-49.86	327.57	3.74	-46.12
O=C(CC1=CSC(C2=COC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192085	1	36	-1.0	-49.88	327.49	3.72	-46.16
O=C(C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192086	0	39	-1.0	-44.42	349.37	4.91	-39.51
O=C(C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192086	1	39	-1.0	-44.40	349.29	4.91	-39.49
O=C(C1=CC=C([N+](=O)[O-])C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192087	0	32	-1.0	-41.17	300.75	4.99	-36.18
O=C(C1=CC=C([N+](=O)[O-])C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192087	1	32	-1.0	-41.23	300.83	5.00	-36.23
O=C(C1CCCN1CC1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192088	0	44	-1.0	-45.74	346.18	2.62	-43.12
O=C(C1CCCN1CC1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192088	1	44	-1.0	-45.69	346.26	2.63	-43.06
O=C(C1=CC=CC=C1CN1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192089	0	40	-1.0	-49.71	332.51	5.35	-44.36
O=C(C1=CC=CC=C1CN1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192089	1	40	-1.0	-49.70	332.44	5.34	-44.36
CC(O)C(NS(=O)(=O)C1=CC=CS1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192090	0	42	-1.0	-46.10	363.57	-2.23	-48.33
CC(O)C(NS(=O)(=O)C1=CC=CS1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192090	1	42	-1.0	-46.13	363.64	-2.22	-48.35
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC1=CN(C)N=C1	REAL300020192091	0	48	-1.0	-48.61	393.31	4.53	-44.08
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC1=CN(C)N=C1	REAL300020192091	1	48	-1.0	-48.59	393.24	4.52	-44.07
O=C(CCC1=NC(C2=COC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192092	0	38	-1.0	-45.72	335.04	2.18	-43.54
O=C(CCC1=NC(C2=COC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192092	1	38	-1.0	-45.72	334.96	2.18	-43.54
O=C(C1=CC=NC(N2C=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192093	0	36	-1.0	-49.97	306.00	4.12	-45.85
O=C(C1=CC=NC(N2C=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192093	1	36	-1.0	-49.98	305.93	4.11	-45.87
O=C(C1CC2COCC(C1)C2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192094	0	40	-1.0	-44.16	305.08	3.80	-40.36
O=C(C1CC2COCC(C1)C2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192094	1	40	-1.0	-44.18	305.16	3.80	-40.38
O=C(C1=CSC(CC2=CC=CC=C2F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192095	0	39	-1.0	-42.55	348.74	5.96	-36.59
O=C(C1=CSC(CC2=CC=CC=C2F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192095	1	39	-1.0	-42.57	348.81	5.97	-36.60
O=C(CC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020192096	0	35	-1.0	-47.01	322.91	5.85	-41.16
O=C(CC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020192096	1	35	-1.0	-46.99	322.98	5.87	-41.12
CC(C)C(CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192097	0	45	-1.0	-41.82	339.87	6.53	-35.29
CC(C)C(CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192097	1	45	-1.0	-41.82	339.94	6.53	-35.29
O=C(CC1CN(CC2=CC=CC=C2)CCO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192098	0	49	-1.0	-47.07	388.23	4.78	-42.29
O=C(CC1CN(CC2=CC=CC=C2)CCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192098	1	49	-1.0	-47.05	388.30	4.79	-42.26
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192098	1	50	0.0	-71.80	380.28	6.55	-65.25
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192098	1	50	0.0	-76.01	383.96	7.01	-69.00
O=C(C1=CC=CC=C1CN1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192099	0	46	-1.0	-43.60	361.88	2.88	-40.72
O=C(C1=CC=CC=C1CN1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192099	1	46	-1.0	-43.58	361.95	2.89	-40.69
COC1=CC=C(NC2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020192100	0	42	-1.0	-43.27	361.35	4.26	-39.01
COC1=CC=C(NC2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020192100	1	42	-1.0	-43.31	361.28	4.25	-39.06
O=C(CC1=CNC2=CC=C(Cl)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020192101	0	37	-1.0	-47.80	329.43	5.34	-42.46
O=C(CC1=CNC2=CC=C(Cl)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020192101	1	37	-1.0	-47.80	329.51	5.34	-42.46
O=C(C1=CC=CC(N2C=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192102	0	37	-1.0	-48.72	305.98	5.93	-42.79
O=C(C1=CC=CC(N2C=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192102	1	37	-1.0	-48.73	306.05	5.93	-42.80
O=C(CCSCC1=NC2=CC=CC=C2C(=O)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192103	0	45	-1.0	-48.86	391.33	5.43	-43.43
O=C(CCSCC1=NC2=CC=CC=C2C(=O)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192103	1	45	-1.0	-48.87	391.40	5.44	-43.43
COC1=CC=CC(CC2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC3CCC2C3)=C1	REAL300020192104	0	54	-1.0	-51.49	392.46	7.13	-44.36
COC1=CC=CC(CC2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC3CCC2C3)=C1	REAL300020192104	1	54	-1.0	-51.48	392.54	7.14	-44.34
CCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020192105	0	42	-1.0	-48.15	350.18	6.25	-41.90
CCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020192105	1	42	-1.0	-48.12	350.25	6.26	-41.86
O=C(C1=CC2=CC(F)=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192106	0	33	-1.0	-40.07	290.78	4.54	-35.53
O=C(C1=CC2=CC(F)=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192106	1	33	-1.0	-40.10	290.85	4.56	-35.54
O=C(CCCC1=NC(C2CC2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192107	0	41	-1.0	-50.60	346.59	3.46	-47.14
O=C(CCCC1=NC(C2CC2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192107	1	41	-1.0	-50.63	346.67	3.47	-47.16
CC1=CSC(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020192108	0	39	-1.0	-42.58	336.37	5.05	-37.53
CC1=CSC(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020192108	1	39	-1.0	-42.57	336.29	5.04	-37.53
O=C(CNC(C1=CC=CC=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192109	0	41	-1.0	-44.99	350.94	4.01	-40.98
O=C(CNC(C1=CC=CC=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192109	1	41	-1.0	-45.02	351.01	4.03	-40.99
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=C1CCC2	REAL300020192110	0	42	-1.0	-52.05	348.52	0.38	-51.67
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=C1CCC2	REAL300020192110	1	42	-1.0	-52.07	348.60	0.40	-51.67
O=C(CN1CCN(C2=CC=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192111	0	46	-1.0	-46.34	362.47	2.48	-43.86
O=C(CN1CCN(C2=CC=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192111	1	46	-1.0	-46.37	362.54	2.48	-43.89
CN(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=C(F)C=CC=C1Cl	REAL300020192112	0	41	-1.0	-44.49	340.19	4.26	-40.23
CN(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=C(F)C=CC=C1Cl	REAL300020192112	1	41	-1.0	-44.52	340.27	4.27	-40.25
C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192113	0	41	-1.0	-45.67	356.26	6.22	-39.45
C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192113	1	41	-1.0	-45.66	356.33	6.23	-39.43
CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192114	0	49	-1.0	-45.87	371.74	2.65	-43.22
CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192114	1	49	-1.0	-45.89	371.81	2.66	-43.23
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020192115	0	41	-1.0	-45.34	329.64	6.23	-39.11
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020192115	1	41	-1.0	-45.36	329.71	6.24	-39.12
O=C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020192116	0	39	-1.0	-41.98	334.50	5.07	-36.91
O=C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020192116	1	39	-1.0	-41.97	334.58	5.08	-36.89
O=C(C1=CC(=O)NC2=CC(F)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020192117	0	36	-1.0	-41.74	316.74	2.95	-38.79
O=C(C1=CC(=O)NC2=CC(F)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020192117	1	36	-1.0	-41.75	316.81	2.97	-38.78
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NC2=C1C(=O)NC(=O)N2	REAL300020192118	0	38	-1.0	-41.13	321.27	0.69	-40.44
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NC2=C1C(=O)NC(=O)N2	REAL300020192118	1	38	-1.0	-41.12	321.34	0.69	-40.43
CC(C)C1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC(F)=C1	REAL300020192119	0	45	-1.0	-49.03	376.40	6.73	-42.30
CC(C)C1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC(F)=C1	REAL300020192119	1	45	-1.0	-49.03	376.47	6.75	-42.28
O=C(C1=CC=NC(N2CCCCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192120	0	43	-1.0	-40.71	340.96	5.37	-35.34
O=C(C1=CC=NC(N2CCCCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192120	1	43	-1.0	-40.72	340.88	5.37	-35.35
CC1=NOC(C)=C1CC(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192121	0	41	-1.0	-42.89	331.37	4.58	-38.31
CC1=NOC(C)=C1CC(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192121	1	41	-1.0	-42.88	331.45	4.58	-38.30
CC1=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C2C=C1	REAL300020192122	0	38	-1.0	-53.49	316.18	4.92	-48.57
CC1=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C2C=C1	REAL300020192122	1	38	-1.0	-53.50	316.25	4.92	-48.58
O=C(C1CC2=CC(F)=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192123	0	35	-1.0	-45.61	297.95	4.92	-40.69
O=C(C1CC2=CC(F)=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192123	1	35	-1.0	-45.65	298.02	4.93	-40.72
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192124	0	42	0.0	-76.38	328.40	5.45	-70.93
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192124	1	42	0.0	-76.37	328.47	5.47	-70.90
CC[NH+]1CCN(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192125	0	47	0.0	-66.52	354.91	3.15	-63.37
CC[NH+]1CCN(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192125	1	47	0.0	-66.53	354.99	3.17	-63.36
CC1=CC=C(N2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)N=C1	REAL300020192126	0	47	-1.0	-38.75	368.46	5.11	-33.64
CC1=CC=C(N2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)N=C1	REAL300020192126	1	47	-1.0	-38.75	368.54	5.12	-33.63
COCCNS(=O)(=O)C1=CNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192127	0	43	-1.0	-49.81	370.97	-1.99	-51.80
COCCNS(=O)(=O)C1=CNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192127	1	43	-1.0	-49.82	371.04	-1.98	-51.80
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192128	0	42	-1.0	-49.71	357.65	-0.41	-50.12
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192128	1	42	-1.0	-49.69	357.73	-0.41	-50.10
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020192129	0	39	-1.0	-48.48	353.01	-4.70	-53.18
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020192129	1	39	-1.0	-48.48	353.09	-4.69	-53.17
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020192129	1	38	-2.0	-86.81	351.79	-5.10	-91.91
O=C(C1CCCC[N@@H+]1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192130	0	49	0.0	-60.75	365.40	7.30	-53.45
O=C(C1CCCC[N@H+]1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192130	1	49	0.0	-57.74	373.69	7.57	-50.17
O=C(C1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192131	0	43	-1.0	-55.47	352.08	2.70	-52.77
O=C(C1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192131	1	43	-1.0	-55.47	352.15	2.71	-52.76
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2F)O1	REAL300020192132	0	39	-1.0	-44.76	335.67	4.30	-40.46
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CC=C2F)O1	REAL300020192132	1	39	-1.0	-44.77	335.59	4.28	-40.49
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300020192133	0	43	-1.0	-57.32	383.64	3.14	-54.18
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300020192133	1	43	-1.0	-57.31	383.71	3.14	-54.17
O=C(CCSC1=CC=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192134	0	46	-1.0	-45.13	383.73	5.98	-39.15
O=C(CCSC1=CC=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192134	1	46	-1.0	-45.14	383.81	5.98	-39.16
CC(CCC1=CC=CC(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192135	0	42	-1.0	-45.86	346.57	6.78	-39.08
CC(CCC1=CC=CC(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192135	1	42	-1.0	-45.89	346.65	6.79	-39.10
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192136	0	48	-1.0	-48.91	388.76	3.90	-45.01
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192136	1	48	-1.0	-48.93	388.84	3.91	-45.02
O=C(NC1=CC=C(Cl)C=C1)C1=NC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192137	0	42	-1.0	-54.81	376.92	3.91	-50.90
O=C(NC1=CC=C(Cl)C=C1)C1=NC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192137	1	42	-1.0	-54.82	376.84	3.90	-50.92
COC(=O)C1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192138	0	42	-1.0	-43.91	326.85	4.75	-39.16
COC(=O)C1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192138	1	42	-1.0	-43.89	326.93	4.76	-39.13
CC1=CC=C(N2[N-]C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=O)C=C1	REAL300020192139	0	40	-2.0	-88.74	341.07	4.53	-84.21
CC1=CC=C(N2[N-]C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=O)C=C1	REAL300020192139	1	40	-2.0	-88.71	341.15	4.55	-84.16
O=C(C1=NOC(C2=CC=CC(F)=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192140	0	35	-1.0	-41.66	314.46	2.85	-38.81
O=C(C1=NOC(C2=CC=CC(F)=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192140	1	35	-1.0	-41.63	314.39	2.85	-38.78
O=C(C1=C(Cl)C=C2NC(=O)CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192141	0	35	-1.0	-45.24	310.37	2.68	-42.56
O=C(C1=C(Cl)C=C2NC(=O)CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192141	1	35	-1.0	-45.29	310.46	2.70	-42.59
CSC1=CC=C(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192142	0	41	-1.0	-38.53	343.29	6.08	-32.45
CSC1=CC=C(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192142	1	41	-1.0	-38.54	343.37	6.09	-32.45
CC(C)(C)OC(=O)NCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020192143	0	53	-1.0	-47.35	418.67	4.75	-42.60
CC(C)(C)OC(=O)NCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020192143	1	53	-1.0	-47.37	418.74	4.76	-42.61
CCCNC(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192144	0	43	-1.0	-47.74	349.48	3.45	-44.29
CCCNC(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192144	1	43	-1.0	-47.80	349.55	3.47	-44.33
CC1=NN=C(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020192145	0	38	-1.0	-47.04	322.95	0.22	-46.82
CC1=NN=C(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020192145	1	38	-1.0	-47.05	323.02	0.23	-46.82
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=O)C2C3CCC(O3)C2C1=O	REAL300020192146	0	45	-1.0	-42.00	344.83	3.19	-38.81
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=O)C2C3CCC(O3)C2C1=O	REAL300020192146	1	45	-1.0	-42.02	344.91	3.20	-38.82
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192147	0	44	-1.0	-51.61	361.96	4.35	-47.26
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192147	1	44	-1.0	-51.61	361.89	4.34	-47.27
O=C(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192148	0	39	-1.0	-51.05	354.63	2.69	-48.36
O=C(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192148	1	39	-1.0	-50.99	354.71	2.71	-48.28
CCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(C)C)=N1	REAL300020192149	0	42	-1.0	-46.51	336.11	4.17	-42.34
CCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(C)C)=N1	REAL300020192149	1	42	-1.0	-46.49	336.18	4.18	-42.31
O=C(CCCOC1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192150	0	39	-1.0	-47.66	327.04	3.39	-44.27
O=C(CCCOC1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192150	1	39	-1.0	-47.66	326.97	3.39	-44.27
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300020192151	0	54	-1.0	-42.60	428.34	7.75	-34.85
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300020192151	1	54	-1.0	-42.57	428.41	7.75	-34.82
CCC1=CC=C(C(C)CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192152	0	45	-1.0	-42.24	358.45	7.45	-34.79
CCC1=CC=C(C(C)CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192152	1	45	-1.0	-42.28	358.53	7.45	-34.83
CCC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C)C=C1	REAL300020192153	0	45	-1.0	-44.57	356.07	7.26	-37.31
CCC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C)C=C1	REAL300020192153	1	45	-1.0	-44.54	356.14	7.26	-37.28
O=C(C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1)N1CCCC1	REAL300020192154	0	43	-1.0	-52.23	346.41	3.69	-48.54
O=C(C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1)N1CCCC1	REAL300020192154	1	43	-1.0	-52.19	346.33	3.67	-48.52
O=C(C1=CC=NC(OCC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192155	0	36	-1.0	-45.36	318.91	1.73	-43.63
O=C(C1=CC=NC(OCC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192155	1	36	-1.0	-45.38	318.83	1.71	-43.67
CC(C)CNC(=O)N1CCCC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192156	0	54	-1.0	-57.79	412.10	5.12	-52.67
CC(C)CNC(=O)N1CCCC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192156	1	54	-1.0	-57.80	412.17	5.13	-52.67
COCC(=O)N[C@H](C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020192157	0	43	-1.0	-42.52	338.45	1.33	-41.19
COCC(=O)N[C@H](C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020192157	1	43	-1.0	-42.49	338.52	1.35	-41.14
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300020192158	0	54	0.0	-69.89	410.51	6.50	-63.39
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020192158	1	54	0.0	-69.91	410.59	6.52	-63.39
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192159	0	51	0.0	-69.83	389.11	5.84	-63.99
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192159	1	51	0.0	-69.85	389.18	5.85	-64.00
CC[NH+](CC)CCSCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192160	0	45	0.0	-68.38	354.44	5.53	-62.85
CC[NH+](CC)CCSCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192160	1	45	0.0	-68.40	354.52	5.55	-62.85
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192161	0	50	0.0	-69.95	386.32	5.22	-64.73
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192161	1	50	0.0	-69.95	386.39	5.22	-64.73
O=C(CCN1CCN(C2=CC=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192161	1	49	-1.0	-45.99	384.28	2.97	-43.02
O=C(CCN1CCN(C2=CC=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192161	1	49	-1.0	-46.02	384.35	2.98	-43.04
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020192162	0	51	0.0	-71.37	387.02	4.88	-66.49
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020192162	1	51	0.0	-71.39	387.09	4.89	-66.50
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CS2)CCCCC1	REAL300020192163	0	43	-1.0	-41.15	331.70	6.09	-35.06
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CS2)CCCCC1	REAL300020192163	1	43	-1.0	-41.13	331.77	6.10	-35.03
O=C(COC1=CC=CC=C1)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192164	0	51	-1.0	-52.03	406.49	6.65	-45.38
O=C(COC1=CC=CC=C1)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192164	1	51	-1.0	-52.07	406.56	6.67	-45.40
CC(C)=CCSC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192165	0	44	-1.0	-46.54	365.36	7.56	-38.98
CC(C)=CCSC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192165	1	44	-1.0	-46.51	365.43	7.57	-38.94
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)C1	REAL300020192166	0	51	-1.0	-49.17	404.34	3.71	-45.46
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)C1	REAL300020192166	1	51	-1.0	-49.21	404.42	3.72	-45.49
CC1=C2NC=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=CC=C1	REAL300020192167	0	40	-1.0	-48.02	333.86	5.48	-42.54
CC1=C2NC=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=CC=C1	REAL300020192167	1	40	-1.0	-47.99	333.94	5.48	-42.51
O=C(C1=CC(N2CCNC2=O)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192168	0	40	-1.0	-48.30	332.43	2.52	-45.78
O=C(C1=CC(N2CCNC2=O)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192168	1	40	-1.0	-48.29	332.51	2.52	-45.77
CCC(=CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C)C=C1	REAL300020192169	0	43	-1.0	-41.43	346.09	7.32	-34.11
CCC(=CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C)C=C1	REAL300020192169	1	43	-1.0	-41.44	346.16	7.34	-34.10
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192170	0	32	-2.0	-80.89	290.34	0.86	-80.03
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192170	1	32	-2.0	-80.91	290.42	0.88	-80.03
CC(C)(C)C1=CC=C(OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020192171	0	52	-1.0	-44.09	412.52	6.32	-37.77
CC(C)(C)C1=CC=C(OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C=C1	REAL300020192171	1	52	-1.0	-44.11	412.45	6.31	-37.80
CC(C)NC1=NC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192172	0	40	-1.0	-42.69	324.98	3.76	-38.93
CC(C)NC1=NC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192172	1	40	-1.0	-42.68	325.05	3.77	-38.91
CN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Br)=C1C=O	REAL300020192173	0	33	-1.0	-41.68	296.01	3.32	-38.36
CN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Br)=C1C=O	REAL300020192173	1	33	-1.0	-41.65	296.08	3.33	-38.32
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192174	0	50	0.0	-65.20	353.07	4.34	-60.86
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192174	1	50	0.0	-65.22	353.14	4.35	-60.87
CC(SCC1=NC(=O)C2=CC=CC=C2N1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192175	0	45	-1.0	-69.44	384.11	4.59	-64.85
CC(SCC1=NC(=O)C2=CC=CC=C2N1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192175	1	45	-1.0	-69.43	384.18	4.59	-64.84
CC(=O)NC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1F	REAL300020192176	0	43	-1.0	-42.33	361.44	3.97	-38.36
CC(=O)NC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1F	REAL300020192176	1	43	-1.0	-42.39	361.51	3.99	-38.40
O=C(C1CN(CC2=CC=CC=C2)CCO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192177	0	46	-1.0	-46.31	359.27	3.69	-42.62
O=C(C1CN(CC2=CC=CC=C2)CCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192177	1	46	-1.0	-46.35	359.35	3.71	-42.64
O=C(C1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192177	1	47	0.0	-72.50	365.38	6.32	-66.18
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192177	1	47	0.0	-54.09	365.82	6.33	-47.76
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1NC(=O)NC1=CC=CC=C1	REAL300020192178	0	49	-1.0	-58.43	393.92	5.67	-52.76
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1NC(=O)NC1=CC=CC=C1	REAL300020192178	1	49	-1.0	-58.44	394.00	5.69	-52.75
CC(C)CCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020192179	0	41	-1.0	-42.71	336.20	3.43	-39.28
CC(C)CCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020192179	1	41	-1.0	-42.70	336.13	3.42	-39.28
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CC(C)(C)NC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192181	0	48	-1.0	-44.92	394.95	3.82	-41.10
CC(C)(C)NC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192181	1	48	-1.0	-44.93	395.03	3.83	-41.10
CC(C)C1=CC=C(N2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=O)C=C1	REAL300020192182	0	50	-1.0	-48.01	393.09	6.85	-41.16
CC(C)C1=CC=C(N2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020192182	1	50	-1.0	-48.01	393.16	6.85	-41.16
O=C(C1=CC=CC(NC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192183	0	42	-1.0	-47.56	341.17	5.89	-41.67
O=C(C1=CC=CC(NC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192183	1	42	-1.0	-47.55	341.24	5.89	-41.66
O=C(CN(CC1=CC=CN=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192184	0	47	-1.0	-47.53	377.34	6.79	-40.74
O=C(CN(CC1=CC=CN=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192184	1	47	-1.0	-47.52	377.26	6.78	-40.74
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O=C(C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192185	1	46	-1.0	-50.54	392.14	5.05	-45.49
CC(C)CNC(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192186	0	51	-1.0	-47.48	392.35	4.23	-43.25
CC(C)CNC(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192186	1	51	-1.0	-47.50	392.43	4.25	-43.25
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300020192187	0	52	-1.0	-42.24	416.37	5.93	-36.31
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300020192187	1	52	-1.0	-42.27	416.45	5.95	-36.32
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300020192188	0	40	-1.0	-46.86	349.94	-0.18	-47.04
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300020192188	1	40	-1.0	-46.92	350.01	-0.17	-47.09
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020192189	0	51	0.0	-70.77	387.04	4.90	-65.87
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020192189	1	51	0.0	-70.76	387.12	4.91	-65.85
O=C(C1=CC(N2CCOC2=O)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192190	0	39	-1.0	-57.97	328.53	3.84	-54.13
O=C(C1=CC(N2CCOC2=O)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192190	1	39	-1.0	-57.99	328.60	3.85	-54.14
CC1=C2NC=C(CCC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=CC=C1	REAL300020192191	0	43	-1.0	-45.31	355.28	6.27	-39.04
CC1=C2NC=C(CCC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=CC=C1	REAL300020192191	1	43	-1.0	-45.34	355.35	6.29	-39.05
CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192192	0	54	-1.0	-49.62	411.57	4.12	-45.50
CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192192	1	54	-1.0	-49.67	411.64	4.13	-45.54
CN1CCN(C2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)CC1	REAL300020192193	0	43	-1.0	-41.90	351.53	0.85	-41.05
CN1CCN(C2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)CC1	REAL300020192193	1	43	-1.0	-41.88	351.60	0.85	-41.03
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CC(C)(C)C(=O)NCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192195	0	49	-1.0	-46.96	390.84	4.63	-42.33
CC(C)(C)C(=O)NCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192195	1	49	-1.0	-46.96	390.91	4.64	-42.32
CCCCCCCCOCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192196	0	48	-1.0	-45.60	384.28	6.84	-38.76
CCCCCCCCOCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192196	1	48	-1.0	-45.57	384.36	6.85	-38.72
CCS(=O)(=O)NCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192197	0	44	-1.0	-52.07	371.30	1.28	-50.79
CCS(=O)(=O)NCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192197	1	44	-1.0	-52.09	371.38	1.30	-50.79
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CCC(CC)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020192199	0	45	-1.0	-44.51	330.96	6.01	-38.50
CCC(CC)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020192199	1	45	-1.0	-44.53	331.03	6.03	-38.50
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O=C(C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192200	1	35	-1.0	-47.96	318.30	6.29	-41.67
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O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020192201	1	41	-1.0	-51.67	345.94	4.26	-47.41
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O=C(C1=CC=C(F)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192202	1	30	-1.0	-39.73	277.09	4.23	-35.50
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O=C(COC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192203	1	34	-1.0	-44.69	323.18	5.72	-38.97
CC1=NC(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=CS1	REAL300020192204	0	39	-1.0	-45.31	334.64	5.00	-40.31
CC1=NC(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=CS1	REAL300020192204	1	39	-1.0	-45.30	334.57	4.99	-40.31
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O=C(C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192206	1	40	-1.0	-46.01	343.19	7.16	-38.85
CC1=CC(=O)N(CC(=O)NC(C)C)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192207	0	52	-1.0	-47.74	418.69	3.85	-43.89
CC1=CC(=O)N(CC(=O)NC(C)C)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192207	1	52	-1.0	-47.81	418.77	3.86	-43.95
O=C(NC1CCCC1)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192208	0	52	-1.0	-46.53	396.97	4.89	-41.64
O=C(NC1CCCC1)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192208	1	52	-1.0	-46.52	397.04	4.90	-41.62
O=C(C1=CN(CC2=CC=CC=N2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192209	0	38	-1.0	-47.04	330.10	2.57	-44.47
O=C(C1=CN(CC2=CC=CC=N2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192209	1	38	-1.0	-47.06	330.18	2.57	-44.49
CC1=C(C)C=C2OC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020192210	0	39	-1.0	-41.50	322.55	5.69	-35.81
CC1=C(C)C=C2OC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020192210	1	39	-1.0	-41.48	322.62	5.70	-35.78
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192211	0	47	-1.0	-52.07	371.51	5.59	-46.48
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192211	1	47	-1.0	-52.08	371.58	5.59	-46.49
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(NC(C)=O)=C1OC	REAL300020192212	0	45	-1.0	-51.84	367.98	1.88	-49.96
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(NC(C)=O)=C1OC	REAL300020192212	1	45	-1.0	-51.85	368.05	1.90	-49.95
CC(CCC1=CC=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192213	0	42	-1.0	-39.46	345.11	6.75	-32.71
CC(CCC1=CC=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192213	1	42	-1.0	-39.50	345.19	6.77	-32.73
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020192214	0	39	-1.0	-38.29	327.19	5.95	-32.34
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020192214	1	39	-1.0	-38.27	327.26	5.96	-32.31
CC1=NOC(C(F)(F)F)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192215	0	32	-1.0	-38.70	297.14	3.20	-35.50
CC1=NOC(C(F)(F)F)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192215	1	32	-1.0	-38.67	297.22	3.20	-35.47
O=C(C1=CNN=C1C1=CC=CC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192216	0	41	-1.0	-49.81	345.08	3.23	-46.58
O=C(C1=CNN=C1C1=CC=CC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192216	1	41	-1.0	-49.84	345.16	3.25	-46.59
O=C(C1=CNC=C1C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192217	0	38	-1.0	-50.56	320.30	5.25	-45.31
O=C(C1=CNC=C1C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192217	1	38	-1.0	-50.55	320.38	5.25	-45.30
CC1=NN(C)C2=C1C=C(C(=O)NC(C)C(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020192218	0	46	-1.0	-44.37	396.05	2.82	-41.55
CC1=NN(C)C2=C1C=C(C(=O)NC(C)C(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020192218	1	46	-1.0	-44.40	396.12	2.84	-41.56
CCCCCCC(C)(CC)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192219	0	50	-1.0	-43.53	364.37	6.46	-37.07
CCCCCCC(C)(CC)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192219	1	50	-1.0	-43.54	364.44	6.48	-37.06
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCCC1	REAL300020192220	0	49	-1.0	-47.86	377.03	7.78	-40.08
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCCC1	REAL300020192220	1	49	-1.0	-47.87	377.11	7.78	-40.09
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1F	REAL300020192221	0	36	-1.0	-35.55	305.83	5.25	-30.30
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1F	REAL300020192221	1	36	-1.0	-35.56	305.90	5.26	-30.30
O=C(C1CCN(C2=CC=CC(Cl)=C2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192222	0	41	-1.0	-44.93	349.68	5.43	-39.50
O=C(C1CCN(C2=CC=CC(Cl)=C2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192222	1	41	-1.0	-44.94	349.75	5.43	-39.51
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192223	0	40	-1.0	-44.43	345.79	5.92	-38.51
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192223	1	40	-1.0	-44.40	345.86	5.94	-38.46
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020192224	0	56	-1.0	-36.57	414.30	4.86	-31.71
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020192224	1	56	-1.0	-36.54	414.38	4.88	-31.66
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(F)=C1	REAL300020192225	0	36	-1.0	-47.37	309.77	5.27	-42.10
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(F)=C1	REAL300020192225	1	36	-1.0	-47.36	309.84	5.28	-42.08
CCCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1F	REAL300020192226	0	45	-1.0	-51.20	378.16	7.18	-44.02
CCCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1F	REAL300020192226	1	45	-1.0	-51.19	378.23	7.19	-44.00
CC(C)(C)C(=O)N1CCOC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192227	0	47	-1.0	-47.89	354.65	3.16	-44.73
CC(C)(C)C(=O)N1CCOC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192227	1	47	-1.0	-47.87	354.73	3.18	-44.69
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020192228	0	36	-1.0	-45.04	312.06	5.68	-39.36
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020192228	1	36	-1.0	-45.06	312.14	5.69	-39.37
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020192229	0	49	-1.0	-41.59	392.89	8.12	-33.47
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020192229	1	49	-1.0	-41.58	392.97	8.14	-33.44
CCC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020192230	0	43	-1.0	-41.86	359.65	7.26	-34.60
CCC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020192230	1	43	-1.0	-41.84	359.72	7.26	-34.58
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC2=CC=CC=C2C1	REAL300020192231	0	43	-1.0	-45.58	324.29	6.16	-39.42
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC2=CC=CC=C2C1	REAL300020192231	1	43	-1.0	-45.56	324.36	6.17	-39.39
O=C(C1=CC=C(OC2CCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192232	0	41	-1.0	-43.48	327.66	5.14	-38.34
O=C(C1=CC=C(OC2CCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192232	1	41	-1.0	-43.45	327.73	5.16	-38.29
CC1=CC=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192233	0	33	-1.0	-41.04	293.55	4.94	-36.10
CC1=CC=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192233	1	33	-1.0	-41.05	293.62	4.94	-36.11
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020192234	0	45	-1.0	-44.56	347.50	7.80	-36.76
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020192234	1	45	-1.0	-44.55	347.58	7.82	-36.73
CN1C=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020192235	0	41	-1.0	-49.51	344.63	7.02	-42.49
CN1C=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020192235	1	41	-1.0	-49.53	344.70	7.02	-42.51
O=C(C1=CN=C2C=CSC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192236	0	32	-1.0	-43.25	281.61	3.03	-40.22
O=C(C1=CN=C2C=CSC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192236	1	32	-1.0	-43.26	281.54	3.03	-40.23
CC1=NOC(C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020192237	0	38	-1.0	-50.63	322.87	4.05	-46.58
CC1=NOC(C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020192237	1	38	-1.0	-50.61	322.79	4.04	-46.57
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192238	0	40	-1.0	-57.91	348.04	-1.92	-59.83
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192238	1	40	-1.0	-57.96	348.11	-1.90	-59.86
O=C(C1=CNC=C1C1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192239	0	44	-1.0	-53.62	358.32	4.33	-49.29
O=C(C1=CNC=C1C1=CC=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192239	1	44	-1.0	-53.60	358.39	4.34	-49.26
O=CC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020192240	0	36	-1.0	-55.33	333.23	5.07	-50.26
O=CC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020192240	1	36	-1.0	-55.33	333.30	5.07	-50.26
CC1=CC=C(CN2C(=O)CCC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192241	0	47	-1.0	-49.57	387.16	6.72	-42.85
CC1=CC=C(CN2C(=O)CCC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192241	1	47	-1.0	-49.56	387.24	6.72	-42.84
O=C(C1=CC(C2=CC=CC=N2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192242	0	35	-1.0	-42.01	308.33	3.20	-38.81
O=C(C1=CC(C2=CC=CC=N2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192242	1	35	-1.0	-42.02	308.41	3.20	-38.82
CC(C)(C)C(=O)CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020192243	0	43	-1.0	-50.87	355.54	3.24	-47.63
CC(C)(C)C(=O)CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020192243	1	43	-1.0	-50.84	355.47	3.22	-47.62
NC(=O)C1=CC(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1	REAL300020192244	0	40	-1.0	-59.94	358.70	-5.04	-64.98
NC(=O)C1=CC(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1	REAL300020192244	1	40	-1.0	-59.97	358.77	-5.04	-65.01
O=C(C1CCSC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020192245	0	38	-1.0	-43.39	317.59	5.78	-37.61
O=C(C1CCSC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020192245	1	38	-1.0	-43.40	317.67	5.79	-37.61
CC(C)(C)OC(=O)N(CC(=O)N1CCC(C2=N[N-]N=N2)C1)CC1CCCO1	REAL300020192246	0	54	-1.0	-50.95	422.41	5.42	-45.53
CC(C)(C)OC(=O)N(CC(=O)N1CCC(C2=NN=N[N-]2)C1)CC1CCCO1	REAL300020192246	1	54	-1.0	-50.95	422.49	5.44	-45.51
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192247	0	40	-1.0	-52.18	345.19	6.00	-46.18
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192247	1	40	-1.0	-52.15	345.27	6.01	-46.14
O=C(C(C1=CC=CC(F)=C1)N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192248	0	46	-1.0	-44.93	363.05	3.32	-41.61
O=C(C(C1=CC=CC(F)=C1)N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192248	1	46	-1.0	-44.89	363.12	3.33	-41.56
CCOC1=C(F)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192249	0	37	-1.0	-47.07	314.90	4.81	-42.26
CCOC1=C(F)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192249	1	37	-1.0	-47.06	314.97	4.83	-42.23
O=C(C1=CC=CC=C1SC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192250	0	41	-1.0	-47.13	351.98	7.73	-39.40
O=C(C1=CC=CC=C1SC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192250	1	41	-1.0	-47.17	352.06	7.74	-39.43
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020192251	0	40	-1.0	-54.14	336.46	5.52	-48.62
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020192251	1	40	-1.0	-54.15	336.53	5.54	-48.61
CN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C1=CC=CC=C1	REAL300020192252	0	41	-1.0	-43.83	327.71	6.33	-37.50
CN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C1=CC=CC=C1	REAL300020192252	1	41	-1.0	-43.78	327.79	6.33	-37.45
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1C=NC=N1	REAL300020192253	0	39	-1.0	-46.72	324.26	7.09	-39.63
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1C=NC=N1	REAL300020192253	1	39	-1.0	-46.65	324.19	7.08	-39.57
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192254	0	39	-1.0	-46.18	325.40	6.87	-39.31
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192254	1	39	-1.0	-46.18	325.32	6.85	-39.33
CC(C)(C)C(=O)NC1=NC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192255	0	44	-1.0	-44.58	355.60	3.65	-40.93
CC(C)(C)C(=O)NC1=NC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192255	1	44	-1.0	-44.58	355.52	3.65	-40.93
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020192256	0	41	-1.0	-47.58	351.46	4.19	-43.39
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020192256	1	41	-1.0	-47.60	351.53	4.20	-43.40
O=C(C1=CC(C2CC2)=NC2=CC=C(F)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020192257	0	42	-1.0	-44.36	348.36	6.17	-38.19
O=C(C1=CC(C2CC2)=NC2=CC=C(F)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020192257	1	42	-1.0	-44.34	348.43	6.18	-38.16
O=C(C1CC12CCC1=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020192258	0	41	-1.0	-42.81	331.75	7.21	-35.60
O=C(C1CC12CCC1=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020192258	1	41	-1.0	-42.82	331.83	7.21	-35.61
COCCCOC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192259	0	44	-1.0	-45.01	356.56	3.65	-41.36
COCCCOC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192259	1	44	-1.0	-45.00	356.63	3.67	-41.33
CC1=NN(C)C(C)=C1CC(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192260	0	45	-1.0	-45.07	355.91	4.50	-40.57
CC1=NN(C)C(C)=C1CC(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192260	1	45	-1.0	-45.12	355.98	4.51	-40.61
O=C(C1=CC2=CC=CC(F)=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192261	0	33	-1.0	-42.62	290.64	4.53	-38.09
O=C(C1=CC2=CC=CC(F)=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192261	1	33	-1.0	-42.64	290.72	4.53	-38.11
O=C(C1=C(C2=CC=C3OCCOC3=C2)OC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192262	0	42	-1.0	-48.95	353.04	2.20	-46.75
O=C(C1=C(C2=CC=C3OCCOC3=C2)OC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192262	1	42	-1.0	-48.96	352.97	2.20	-46.76
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1NC(=O)CC(C)C	REAL300020192263	0	49	-1.0	-47.91	383.37	5.50	-42.41
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1NC(=O)CC(C)C	REAL300020192263	1	49	-1.0	-47.93	383.45	5.51	-42.42
CC1=CC=CC(C)=C1NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192264	0	41	-1.0	-42.41	331.57	4.49	-37.92
CC1=CC=CC(C)=C1NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192264	1	41	-1.0	-42.35	331.64	4.50	-37.85
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC(F)F	REAL300020192265	0	42	-1.0	-45.42	351.41	3.10	-42.32
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC(F)F	REAL300020192265	1	42	-1.0	-45.44	351.48	3.10	-42.34
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192266	0	47	-1.0	-49.71	368.90	5.65	-44.06
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192266	1	47	-1.0	-49.74	368.97	5.67	-44.07
O=C(C1=CC=C(OC2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192267	0	45	-1.0	-44.17	351.86	3.94	-40.23
O=C(C1=CC=C(OC2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192267	1	45	-1.0	-44.18	351.93	3.96	-40.22
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1CCNC1=O	REAL300020192268	0	44	-1.0	-50.53	359.04	1.95	-48.58
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1CCNC1=O	REAL300020192268	1	44	-1.0	-50.51	359.11	1.96	-48.55
CC(C)CC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020192269	0	46	-1.0	-45.25	370.29	4.74	-40.51
CC(C)CC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020192269	1	46	-1.0	-45.25	370.36	4.75	-40.50
O=C(C1=CNC(=O)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192270	0	30	-1.0	-45.60	285.75	1.50	-44.10
O=C(C1=CNC(=O)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192270	1	30	-1.0	-45.58	285.83	1.51	-44.07
CN(C)C(=O)CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192271	0	46	-1.0	-57.50	387.74	1.56	-55.94
CN(C)C(=O)CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192271	1	46	-1.0	-57.55	387.81	1.57	-55.98
O=C(C=CC1=CC(Br)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192272	0	31	-1.0	-42.50	301.49	4.95	-37.55
O=C(C=CC1=CC(Br)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192272	1	31	-1.0	-42.52	301.56	4.96	-37.56
CCC(CC)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CCOCC1	REAL300020192273	0	51	-1.0	-41.59	360.47	3.04	-38.55
CCC(CC)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCOCC1	REAL300020192273	1	51	-1.0	-41.57	360.54	3.05	-38.52
CCC(CC)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)[NH+]1CCOCC1	REAL300020192273	1	52	0.0	-56.06	359.01	4.81	-51.25
O=C(C1=CC=CC(C2=CSC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192274	0	36	-1.0	-45.55	312.70	4.29	-41.26
O=C(C1=CC=CC(C2=CSC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192274	1	36	-1.0	-45.58	312.62	4.27	-41.31
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2CCCC2)=N1	REAL300020192275	0	42	-1.0	-41.10	341.60	4.91	-36.19
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2CCCC2)=N1	REAL300020192275	1	42	-1.0	-41.08	341.67	4.92	-36.16
O=C(C1CC12CCCC1=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020192276	0	44	-1.0	-45.89	338.49	7.84	-38.05
O=C(C1CC12CCCC1=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020192276	1	44	-1.0	-45.89	338.57	7.85	-38.04
CC(CC(=O)C1=CC=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192277	0	41	-1.0	-44.68	340.96	5.90	-38.78
CC(CC(=O)C1=CC=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192277	1	41	-1.0	-44.74	341.03	5.91	-38.83
CCCCCCC(C)(CCC)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192278	0	53	-1.0	-43.45	385.98	7.25	-36.20
CCCCCCC(C)(CCC)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192278	1	53	-1.0	-43.44	386.05	7.26	-36.18
COC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192279	0	34	-1.0	-42.48	314.50	4.78	-37.70
COC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192279	1	34	-1.0	-42.47	314.57	4.78	-37.69
CC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020192280	0	42	-1.0	-45.01	351.31	6.78	-38.23
CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020192280	1	42	-1.0	-45.00	351.38	6.79	-38.21
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=S)NC(C2CC2)=N1	REAL300020192281	0	39	-1.0	-55.02	340.23	4.99	-50.03
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=S)NC(C2CC2)=N1	REAL300020192281	1	39	-1.0	-55.04	340.31	4.99	-50.05
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020192282	0	38	-2.0	-99.75	335.08	1.47	-98.28
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020192282	1	38	-2.0	-99.72	335.00	1.47	-98.25
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC(C2=CC=CO2)=N1	REAL300020192282	1	39	-1.0	-51.61	338.19	2.56	-49.05
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC(C2=CC=CO2)=N1	REAL300020192282	1	39	-1.0	-51.59	338.12	2.56	-49.03
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC(C(C)(C)C)=N1	REAL300020192283	0	44	-1.0	-49.82	356.46	3.08	-46.74
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC(C(C)(C)C)=N1	REAL300020192283	1	44	-1.0	-49.81	356.53	3.08	-46.73
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC(C(C)C)=N1	REAL300020192284	0	41	-1.0	-50.81	338.88	2.87	-47.94
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC(C(C)C)=N1	REAL300020192284	1	41	-1.0	-50.83	338.95	2.87	-47.96
O=C(C1=CC(C2=CC=CC=C2O)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192285	0	38	-1.0	-43.50	320.95	1.53	-41.97
O=C(C1=CC(C2=CC=CC=C2O)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192285	1	38	-1.0	-43.53	321.03	1.54	-41.99
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020192286	0	41	-2.0	-106.22	350.76	2.73	-103.49
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020192286	1	41	-2.0	-106.21	350.84	2.75	-103.46
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192287	0	37	-2.0	-102.43	327.69	3.50	-98.93
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192287	1	37	-2.0	-102.46	327.77	3.52	-98.94
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=O)=N1	REAL300020192288	0	41	-2.0	-96.53	356.59	4.93	-91.60
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=O)=N1	REAL300020192288	1	41	-2.0	-96.59	356.66	4.95	-91.64
O=C(C1=CNC2=CC=C(Br)C=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192289	0	36	-1.0	-58.53	332.64	4.42	-54.11
O=C(C1=CNC2=CC=C(Br)C=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192289	1	36	-1.0	-58.59	332.71	4.43	-54.16
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192290	0	37	-2.0	-110.29	325.73	3.58	-106.71
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192290	1	37	-2.0	-110.29	325.80	3.59	-106.70
O=C(C1=CNC2=C(OC(F)(F)F)C=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192291	0	40	-1.0	-54.82	356.03	3.72	-51.10
O=C(C1=CNC2=C(OC(F)(F)F)C=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192291	1	40	-1.0	-54.80	356.11	3.72	-51.08
CC1=CC(F)=CC2=C1NC=C(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2=O	REAL300020192292	0	39	-1.0	-58.08	335.59	4.65	-53.43
CC1=CC(F)=CC2=C1NC=C(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2=O	REAL300020192292	1	39	-1.0	-58.07	335.66	4.66	-53.41
COC1=CC=C(C(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020192293	0	44	-1.0	-45.76	355.79	4.34	-41.42
COC1=CC=C(C(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020192293	1	44	-1.0	-45.76	355.86	4.36	-41.40
O=C(C1=CC=C(N2C=C(Br)C=N2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192294	0	35	-1.0	-40.22	327.31	4.21	-36.01
O=C(C1=CC=C(N2C=C(Br)C=N2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192294	1	35	-1.0	-40.25	327.24	4.20	-36.05
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192295	0	44	-1.0	-49.82	367.62	5.26	-44.56
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192295	1	44	-1.0	-49.78	367.70	5.27	-44.51
CC1=CC2=C(C=C1C)OC(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020192296	0	41	-1.0	-48.43	330.25	6.03	-42.40
CC1=CC2=C(C=C1C)OC(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020192296	1	41	-1.0	-48.40	330.32	6.04	-42.36
O=C(C1=CC(Cl)=CC=C1OC1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192297	0	44	-1.0	-45.22	364.95	7.28	-37.94
O=C(C1=CC(Cl)=CC=C1OC1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192297	1	44	-1.0	-45.24	365.02	7.29	-37.95
O=C(C1=CC=C(F)C=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192298	0	34	-1.0	-44.01	298.79	4.17	-39.84
O=C(C1=CC=C(F)C=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192298	1	34	-1.0	-44.04	298.86	4.18	-39.86
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192299	0	47	-1.0	-54.41	379.96	4.84	-49.57
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192299	1	47	-1.0	-54.38	380.04	4.84	-49.54
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020192300	0	34	-1.0	-44.26	290.23	2.60	-41.66
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020192300	1	34	-1.0	-44.35	290.30	2.61	-41.74
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300020192301	0	50	-1.0	-45.29	397.57	8.93	-36.36
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300020192301	1	50	-1.0	-45.31	397.64	8.94	-36.37
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC2=CC=CC=C21	REAL300020192302	0	39	-1.0	-53.33	326.72	3.52	-49.81
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC2=CC=CC=C21	REAL300020192302	1	39	-1.0	-53.29	326.79	3.53	-49.76
O=C(C1=C(F)C=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192303	0	30	-1.0	-45.94	286.15	4.48	-41.46
O=C(C1=C(F)C=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192303	1	30	-1.0	-45.96	286.23	4.50	-41.46
O=C(C1CC1C1=CC=CC(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192304	0	37	-1.0	-43.99	311.96	6.08	-37.91
O=C(C1CC1C1=CC=CC(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192304	1	37	-1.0	-44.04	312.04	6.09	-37.95
O=C(CCCCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192305	0	42	-1.0	-43.48	361.86	7.65	-35.83
O=C(CCCCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192305	1	42	-1.0	-43.48	361.94	7.67	-35.81
CCCOC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192306	0	46	-1.0	-43.32	374.99	6.60	-36.72
CCCOC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192306	1	46	-1.0	-43.33	375.06	6.61	-36.72
CCC(OC1=CC=CC(C)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192307	0	43	-1.0	-46.52	339.02	6.29	-40.23
CCC(OC1=CC=CC(C)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192307	1	43	-1.0	-46.61	339.10	6.30	-40.31
CC(=CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020192308	0	40	-1.0	-42.60	348.65	7.06	-35.54
CC(=CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020192308	1	40	-1.0	-42.62	348.73	7.07	-35.55
O=C(NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)OCC(F)(F)F	REAL300020192309	0	41	-1.0	-45.66	358.68	3.16	-42.50
O=C(NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)OCC(F)(F)F	REAL300020192309	1	41	-1.0	-45.67	358.76	3.18	-42.49
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1	REAL300020192310	0	40	-1.0	-43.77	346.41	6.87	-36.90
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1	REAL300020192310	1	40	-1.0	-43.74	346.49	6.87	-36.87
CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=C(Br)C=N1	REAL300020192311	0	39	-1.0	-39.53	338.92	4.48	-35.05
CC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=C(Br)C=N1	REAL300020192311	1	39	-1.0	-39.56	338.84	4.47	-35.09
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192312	0	42	-1.0	-48.30	327.35	1.81	-46.49
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192312	1	42	-1.0	-48.24	327.43	1.82	-46.42
CC1=CC=C(C)C(SCC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020192313	0	50	-1.0	-44.56	411.55	9.69	-34.87
CC1=CC=C(C)C(SCC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020192313	1	50	-1.0	-44.54	411.63	9.71	-34.83
CCC1=CC=C(C(=O)N2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)O1	REAL300020192314	0	50	-1.0	-49.51	397.35	5.69	-43.82
CCC1=CC=C(C(=O)N2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)O1	REAL300020192314	1	50	-1.0	-49.51	397.43	5.70	-43.81
O=C(C1SCCC2=C1C=CS2)N1CCC(C2=N[N-]N=N2)C1	REAL300020192315	0	35	-1.0	-44.33	309.04	5.14	-39.19
O=C(C1SCCC2=C1C=CS2)N1CCC(C2=NN=N[N-]2)C1	REAL300020192315	1	35	-1.0	-44.37	309.12	5.15	-39.22
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020192316	0	46	-1.0	-50.21	366.59	2.81	-47.40
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020192316	1	46	-1.0	-50.23	366.66	2.82	-47.41
CC(C)N1C=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192317	0	37	-1.0	-41.14	317.27	5.19	-35.95
CC(C)N1C=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192317	1	37	-1.0	-41.13	317.34	5.21	-35.92
O=C(C1=CC=CC=C1CN1C=NC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192318	0	39	-1.0	-50.73	327.67	6.79	-43.94
O=C(C1=CC=CC=C1CN1C=NC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192318	1	39	-1.0	-50.72	327.60	6.78	-43.94
CC(C)(OC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192319	0	40	-1.0	-45.21	305.51	4.89	-40.32
CC(C)(OC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192319	1	40	-1.0	-45.24	305.58	4.90	-40.34
CC(C)(C)OC(=O)N(CC(=O)N1CCC(C2=N[N-]N=N2)C1)CC1CC1	REAL300020192320	0	50	-1.0	-48.50	399.59	6.36	-42.14
CC(C)(C)OC(=O)N(CC(=O)N1CCC(C2=NN=N[N-]2)C1)CC1CC1	REAL300020192320	1	50	-1.0	-48.48	399.66	6.36	-42.12
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Br	REAL300020192321	0	39	-1.0	-43.75	333.24	6.52	-37.23
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Br	REAL300020192321	1	39	-1.0	-43.73	333.31	6.53	-37.20
CCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1F	REAL300020192322	0	42	-1.0	-51.46	356.67	6.41	-45.05
CCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1F	REAL300020192322	1	42	-1.0	-51.49	356.75	6.42	-45.07
COC1=CC=C(C2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020192323	0	40	-1.0	-43.33	346.58	3.96	-39.37
COC1=CC=C(C2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020192323	1	40	-1.0	-43.28	346.50	3.96	-39.32
O=C(C1=CN(CC2=CC=CS2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192324	0	36	-1.0	-43.62	325.74	3.49	-40.13
O=C(C1=CN(CC2=CC=CS2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192324	1	36	-1.0	-43.61	325.66	3.48	-40.13
O=C(C(C1=CC=CC=C1F)N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192325	0	46	-1.0	-46.69	364.46	3.79	-42.90
O=C(C(C1=CC=CC=C1F)N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192325	1	46	-1.0	-46.70	364.53	3.80	-42.90
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC1=NS(=O)(=O)C2=CC=CC=C21	REAL300020192326	0	45	-1.0	-61.85	386.25	2.10	-59.75
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC1=NS(=O)(=O)C2=CC=CC=C21	REAL300020192326	1	45	-1.0	-61.86	386.33	2.12	-59.74
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192327	0	46	-1.0	-47.35	374.70	4.69	-42.66
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192327	1	46	-1.0	-47.33	374.78	4.70	-42.63
O=C(C1CCC(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192328	0	46	-1.0	-37.58	347.91	7.32	-30.26
O=C(C1CCC(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192328	1	46	-1.0	-37.60	347.98	7.34	-30.26
CC(C)(C)C(=O)NC1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020192329	0	45	-1.0	-50.02	379.30	3.93	-46.09
CC(C)(C)C(=O)NC1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020192329	1	45	-1.0	-50.02	379.37	3.93	-46.09
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CC(CSC(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192331	0	33	-1.0	-34.56	301.87	4.00	-30.56
CC(CSC(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192331	1	33	-1.0	-34.60	301.95	4.01	-30.59
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O=C(C1SCCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020192332	1	38	-1.0	-45.37	317.12	5.96	-39.41
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O=C(CCC1=NN=CN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192333	1	42	-1.0	-46.31	353.66	7.80	-38.51
O=C(C1=CC=C(Cl)C(N2CCNC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192334	0	40	-1.0	-47.51	345.86	3.32	-44.19
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CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192335	0	47	-1.0	-49.21	375.69	4.14	-45.07
CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192335	1	47	-1.0	-49.20	375.76	4.16	-45.04
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192336	0	49	0.0	-69.61	379.15	7.66	-61.95
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192336	1	49	0.0	-70.32	381.83	7.71	-62.61
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192336	1	49	0.0	-69.62	379.22	7.66	-61.96
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192336	1	49	0.0	-70.33	381.90	7.72	-62.61
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020192337	0	42	-1.0	-46.01	348.39	6.81	-39.20
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020192337	1	42	-1.0	-45.97	348.46	6.82	-39.15
CC(C)(C)CC1=NC(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=NO1	REAL300020192338	0	50	-1.0	-45.34	400.58	5.59	-39.75
CC(C)(C)CC1=NC(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=NO1	REAL300020192338	1	50	-1.0	-45.36	400.51	5.58	-39.78
CN1C=C(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020192339	0	40	-1.0	-48.90	330.20	4.87	-44.03
CN1C=C(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020192339	1	40	-1.0	-48.91	330.13	4.86	-44.05
CC(C)C1=NN(C)C2=C1C=C(C(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020192340	0	42	-1.0	-43.06	356.05	4.76	-38.30
CC(C)C1=NN(C)C2=C1C=C(C(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020192340	1	42	-1.0	-43.08	356.12	4.76	-38.32
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300020192341	0	45	-2.0	-99.96	382.63	-0.29	-100.25
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300020192341	1	45	-2.0	-99.95	382.70	-0.28	-100.23
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(NS(C)(=O)=O)=C1OC	REAL300020192341	1	46	-1.0	-52.01	384.94	-0.36	-52.37
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(NS(C)(=O)=O)=C1OC	REAL300020192341	1	46	-1.0	-52.05	385.01	-0.34	-52.39
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192342	0	49	-1.0	-55.23	397.47	1.92	-53.31
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192342	1	49	-1.0	-55.26	397.55	1.93	-53.33
CC1=CC=C2C(CCC(=O)N3CCC(C4=N[N-]N=N4)C3)=CNC2=C1	REAL300020192343	0	43	-1.0	-45.15	355.42	6.28	-38.87
CC1=CC=C2C(CCC(=O)N3CCC(C4=NN=N[N-]4)C3)=CNC2=C1	REAL300020192343	1	43	-1.0	-45.14	355.49	6.30	-38.84
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C)=C1Br	REAL300020192344	0	34	-1.0	-44.20	313.06	4.44	-39.76
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C)=C1Br	REAL300020192344	1	34	-1.0	-44.09	313.13	4.46	-39.63
CCOC(C)C1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020192345	0	39	-1.0	-43.39	335.18	2.34	-41.05
CCOC(C)C1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020192345	1	39	-1.0	-43.42	335.25	2.35	-41.07
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192346	0	50	-1.0	-45.26	387.33	4.90	-40.36
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192346	1	50	-1.0	-45.26	387.40	4.92	-40.34
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1NC(=O)OC(C)(C)C	REAL300020192347	0	50	-1.0	-52.92	389.59	4.67	-48.25
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1NC(=O)OC(C)(C)C	REAL300020192347	1	50	-1.0	-52.97	389.66	4.69	-48.28
COCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020192348	0	40	-1.0	-44.44	332.49	0.52	-43.92
COCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020192348	1	40	-1.0	-44.42	332.42	0.51	-43.91
CN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300020192349	0	40	-1.0	-41.72	340.53	6.22	-35.50
CN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300020192349	1	40	-1.0	-41.76	340.60	6.22	-35.54
CCCCCCCCCCCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192350	0	59	-1.0	-42.83	457.20	10.36	-32.47
CCCCCCCCCCCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192350	1	59	-1.0	-42.82	457.27	10.37	-32.45
CC1=C(Br)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192351	0	33	-1.0	-41.62	290.23	4.86	-36.76
CC1=C(Br)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192351	1	33	-1.0	-41.67	290.30	4.86	-36.81
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192352	0	47	-1.0	-46.63	381.66	4.71	-41.92
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192352	1	47	-1.0	-46.55	381.73	4.72	-41.83
O=C(C1=CC(OCC2=CC=CC=C2)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192353	0	43	-1.0	-45.90	361.23	6.05	-39.85
O=C(C1=CC(OCC2=CC=CC=C2)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192353	1	43	-1.0	-45.89	361.16	6.03	-39.86
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020192354	0	47	-1.0	-43.19	385.72	2.70	-40.49
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020192354	1	47	-1.0	-43.18	385.79	2.70	-40.48
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)S1	REAL300020192355	0	33	-1.0	-43.87	308.05	5.02	-38.85
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)S1	REAL300020192355	1	33	-1.0	-43.86	308.12	5.04	-38.82
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192356	0	41	-1.0	-43.60	348.83	2.49	-41.11
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192356	1	41	-1.0	-43.60	348.90	2.50	-41.10
CCC(OC1CCCC(C)C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192357	0	49	-1.0	-37.35	367.71	6.41	-30.94
CCC(OC1CCCC(C)C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192357	1	49	-1.0	-37.34	367.78	6.43	-30.91
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192358	0	45	-1.0	-53.93	369.92	2.90	-51.03
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192358	1	45	-1.0	-53.94	369.99	2.91	-51.03
CC(CCOC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192359	0	43	-1.0	-46.32	348.63	5.53	-40.79
CC(CCOC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192359	1	43	-1.0	-46.36	348.71	5.54	-40.82
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020192360	0	33	-1.0	-44.16	289.50	4.74	-39.42
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020192360	1	33	-1.0	-44.19	289.57	4.76	-39.43
O=C(C1CC(=O)N(C2=CNN=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192361	0	38	-1.0	-52.39	318.20	1.45	-50.94
O=C(C1CC(=O)N(C2=CNN=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192361	1	38	-1.0	-52.42	318.27	1.47	-50.95
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192362	0	49	0.0	-64.70	359.58	6.27	-58.43
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192362	1	49	0.0	-63.67	356.08	6.13	-57.54
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192362	1	49	0.0	-64.69	359.65	6.27	-58.42
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192362	1	49	0.0	-63.72	356.15	6.14	-57.58
O=C(C1=CC=CC(C(F)(F)F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192363	0	33	-1.0	-48.04	297.88	4.74	-43.30
O=C(C1=CC=CC(C(F)(F)F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192363	1	33	-1.0	-48.01	297.95	4.75	-43.26
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C(F)(F)F)C=C1C=O	REAL300020192364	0	43	-1.0	-49.78	370.22	5.63	-44.15
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1C=O	REAL300020192364	1	43	-1.0	-49.77	370.30	5.64	-44.13
CC1=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C2C=C1	REAL300020192365	0	45	-1.0	-42.98	363.16	6.80	-36.18
CC1=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C2C=C1	REAL300020192365	1	45	-1.0	-43.01	363.23	6.80	-36.21
CC(C)OC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192366	0	40	-1.0	-41.45	341.54	5.06	-36.39
CC(C)OC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192366	1	40	-1.0	-41.49	341.61	5.07	-36.42
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192367	0	48	-1.0	-50.79	389.65	3.81	-46.98
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192367	1	48	-1.0	-50.81	389.72	3.82	-46.99
CN1C=CN=C1CN1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192368	0	48	-1.0	-50.85	370.19	3.52	-47.33
CN1C=CN=C1CN1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192368	1	48	-1.0	-50.82	370.27	3.52	-47.30
O=C(C1=CNN=C1C1=CC=NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192369	0	36	-1.0	-47.83	300.93	1.93	-45.90
O=C(C1=CNN=C1C1=CC=NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192369	1	36	-1.0	-47.83	301.00	1.93	-45.90
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(N)C([N+](=O)[O-])=C1	REAL300020192370	0	37	-1.0	-42.28	311.40	3.29	-38.99
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(N)C([N+](=O)[O-])=C1	REAL300020192370	1	37	-1.0	-42.32	311.47	3.30	-39.02
O=C(C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192371	0	43	-1.0	-46.78	357.34	5.78	-41.00
O=C(C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192371	1	43	-1.0	-46.76	357.42	5.80	-40.96
CC(C)(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020192372	0	38	-1.0	-40.51	304.07	3.38	-37.13
CC(C)(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020192372	1	38	-1.0	-40.51	304.00	3.37	-37.14
CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020192373	0	50	-1.0	-42.72	388.76	3.81	-38.91
CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020192373	1	50	-1.0	-42.73	388.84	3.83	-38.90
CS(=O)(=O)CC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192374	0	39	-1.0	-47.90	329.82	1.45	-46.45
CS(=O)(=O)CC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192374	1	39	-1.0	-47.88	329.89	1.46	-46.42
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192375	0	49	-1.0	-39.33	379.69	4.47	-34.86
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192375	1	49	-1.0	-39.33	379.76	4.48	-34.85
CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192376	0	44	-1.0	-50.80	374.47	-1.09	-51.89
CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192376	1	44	-1.0	-50.81	374.55	-1.07	-51.88
O=C(C1=CC=C(OC2=CC=CC=C2Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192377	0	40	-1.0	-45.48	352.53	4.35	-41.13
O=C(C1=CC=C(OC2=CC=CC=C2Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192377	1	40	-1.0	-45.46	352.46	4.34	-41.12
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020192378	0	43	-1.0	-53.28	363.93	4.96	-48.32
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020192378	1	43	-1.0	-53.25	364.01	4.97	-48.28
O=C(C1CCCCN1CC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192379	0	48	-1.0	-43.99	378.25	5.57	-38.42
O=C(C1CCCCN1CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192379	1	48	-1.0	-44.02	378.33	5.58	-38.44
O=C(C1CCCC[N@H+]1CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192379	1	49	0.0	-65.60	371.85	7.36	-58.24
O=C(C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192379	1	49	0.0	-65.58	371.85	7.37	-58.21
O=C(C1CCCN1CC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192380	0	45	-1.0	-41.52	356.04	4.19	-37.33
O=C(C1CCCN1CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192380	1	45	-1.0	-41.54	356.11	4.20	-37.34
O=C(C1CCC[N@H+]1CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192380	1	46	0.0	-63.83	362.10	7.04	-56.79
O=C(C1CCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192380	1	46	0.0	-60.42	359.30	6.61	-53.81
O=C(C1=C(F)N2C=CC=CC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192381	0	33	-1.0	-48.25	289.23	4.87	-43.38
O=C(C1=C(F)N2C=CC=CC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192381	1	33	-1.0	-48.23	289.16	4.87	-43.36
COC(=O)C1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020192382	0	35	-1.0	-55.65	312.80	1.34	-54.31
COC(=O)C1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020192382	1	35	-1.0	-55.68	312.72	1.33	-54.35
CC(C1=CC=CC=C1)C(C)(O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192383	0	43	-1.0	-41.59	329.95	3.73	-37.86
CC(C1=CC=CC=C1)C(C)(O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192383	1	43	-1.0	-41.60	330.02	3.75	-37.85
CC1C(=O)NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1C	REAL300020192384	0	43	-1.0	-46.18	336.59	0.97	-45.21
CC1C(=O)NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1C	REAL300020192384	1	43	-1.0	-46.23	336.67	0.99	-45.24
O=C(C1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020192385	0	30	-1.0	-44.94	291.37	4.77	-40.17
O=C(C1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020192385	1	30	-1.0	-44.92	291.44	4.78	-40.14
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192386	0	46	-1.0	-46.28	391.02	7.69	-38.59
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192386	1	46	-1.0	-46.30	391.09	7.69	-38.61
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192386	1	45	-2.0	-89.01	387.68	7.52	-81.49
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192386	1	45	-2.0	-89.07	387.75	7.53	-81.54
O=C(CSC1=N[N-]C(=S)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192387	0	29	-2.0	-78.80	302.08	1.98	-76.82
O=C(CSC1=N[N-]C(=S)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192387	1	29	-2.0	-78.83	302.15	1.99	-76.84
O=C(CSC1=NNC(=S)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192387	1	30	-1.0	-43.91	305.51	2.12	-41.79
O=C(CSC1=NNC(=S)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192387	1	30	-1.0	-43.95	305.58	2.14	-41.81
O=C(CC1=COC2=CC(F)=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020192388	0	36	-1.0	-46.67	314.97	5.20	-41.47
O=C(CC1=COC2=CC(F)=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020192388	1	36	-1.0	-46.68	315.04	5.20	-41.48
O=C(C1=CC=C(Br)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192389	0	32	-1.0	-47.97	300.49	5.90	-42.07
O=C(C1=CC=C(Br)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192389	1	32	-1.0	-47.99	300.57	5.90	-42.09
O=C(CCC1=CC(Cl)=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192390	0	36	-1.0	-42.09	336.08	6.55	-35.54
O=C(CCC1=CC(Cl)=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192390	1	36	-1.0	-42.11	336.15	6.57	-35.54
O=C(C1=CC=C(Br)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192391	0	29	-1.0	-42.49	266.35	2.34	-40.15
O=C(C1=CC=C(Br)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192391	1	29	-1.0	-42.48	266.28	2.33	-40.15
CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192392	0	47	-1.0	-41.76	370.81	3.88	-37.88
CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192392	1	47	-1.0	-41.74	370.89	3.90	-37.84
O=C(C1=C(F)C(F)=CC(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192393	0	30	-1.0	-42.49	284.94	4.13	-38.36
O=C(C1=C(F)C(F)=CC(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192393	1	30	-1.0	-42.50	285.02	4.14	-38.36
CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020192394	0	57	-1.0	-50.78	412.34	6.28	-44.50
CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020192394	1	57	-1.0	-50.76	412.41	6.28	-44.48
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)S1	REAL300020192395	0	33	-1.0	-43.84	303.42	4.92	-38.92
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)S1	REAL300020192395	1	33	-1.0	-43.84	303.49	4.93	-38.91
CC1=NC(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020192396	0	38	-1.0	-48.41	329.88	4.07	-44.34
CC1=NC(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020192396	1	38	-1.0	-48.40	329.95	4.08	-44.32
CC1=CC=C(S(=O)(=O)C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCC2)C=C1	REAL300020192397	0	49	-1.0	-49.79	375.33	3.98	-45.81
CC1=CC=C(S(=O)(=O)C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCC2)C=C1	REAL300020192397	1	49	-1.0	-49.79	375.40	4.00	-45.79
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=NN1	REAL300020192398	0	33	-1.0	-43.82	301.07	1.95	-41.87
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=NN1	REAL300020192398	1	33	-1.0	-43.79	301.15	1.95	-41.84
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192399	0	50	-1.0	-42.35	381.60	6.16	-36.19
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192399	1	50	-1.0	-42.34	381.69	6.17	-36.17
O=C(CC=CC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192400	0	37	-1.0	-45.24	318.18	6.15	-39.09
O=C(CC=CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192400	1	37	-1.0	-45.22	318.26	6.16	-39.06
O=C(CN1CCN(C(=O)OCC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192401	0	53	-1.0	-46.40	425.91	4.87	-41.53
O=C(CN1CCN(C(=O)OCC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192401	1	53	-1.0	-46.37	425.98	4.87	-41.50
CCC1=CC=C(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192402	0	45	-1.0	-43.56	344.07	7.20	-36.36
CCC1=CC=C(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192402	1	45	-1.0	-43.55	344.14	7.21	-36.34
CC1=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C2C(C)=C1	REAL300020192403	0	48	-1.0	-43.25	383.28	7.62	-35.63
CC1=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C2C(C)=C1	REAL300020192403	1	48	-1.0	-43.24	383.35	7.63	-35.61
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C2C=NN(C)C2=N1	REAL300020192404	0	38	-1.0	-44.43	319.87	3.41	-41.02
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C2C=NN(C)C2=N1	REAL300020192404	1	38	-1.0	-44.40	319.94	3.42	-40.98
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020192405	0	38	-1.0	-44.80	324.32	-0.48	-45.28
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020192405	1	38	-1.0	-44.83	324.39	-0.46	-45.29
O=C(C1CC(OCC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192406	0	44	-1.0	-47.40	362.61	6.04	-41.36
O=C(C1CC(OCC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192406	1	44	-1.0	-47.36	362.68	6.05	-41.31
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192407	0	52	-1.0	-45.28	409.12	10.09	-35.19
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192407	1	52	-1.0	-45.28	409.20	10.10	-35.18
CCC(OC1=CC=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192408	0	40	-1.0	-50.50	324.14	5.68	-44.82
CCC(OC1=CC=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192408	1	40	-1.0	-50.49	324.21	5.69	-44.80
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020192409	0	36	-1.0	-45.28	328.99	6.13	-39.15
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020192409	1	36	-1.0	-45.28	329.06	6.14	-39.14
O=C(C1=CC=C(N2C=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192410	0	37	-1.0	-45.10	308.12	5.67	-39.43
O=C(C1=CC=C(N2C=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192410	1	37	-1.0	-45.07	308.05	5.66	-39.41
CC1=CC(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020192411	0	42	-1.0	-45.24	353.36	6.75	-38.49
CC1=CC(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020192411	1	42	-1.0	-45.25	353.44	6.76	-38.49
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(S(=O)(=O)N(C)C)O1	REAL300020192412	0	41	-1.0	-45.01	350.99	0.56	-44.45
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(S(=O)(=O)N(C)C)O1	REAL300020192412	1	41	-1.0	-44.96	351.06	0.57	-44.39
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020192413	0	42	-1.0	-38.07	340.29	7.41	-30.66
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020192413	1	42	-1.0	-38.04	340.36	7.43	-30.61
O=C(C1=CC2=CC=CC(Cl)=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192414	0	33	-1.0	-41.78	300.97	4.98	-36.80
O=C(C1=CC2=CC=CC(Cl)=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192414	1	33	-1.0	-41.78	301.04	4.99	-36.79
O=C(C1=NC=CC=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192415	0	36	-1.0	-52.11	318.64	4.71	-47.40
O=C(C1=NC=CC=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192415	1	36	-1.0	-52.13	318.57	4.70	-47.43
COC1=CC(OC)=CC(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)=C1	REAL300020192416	0	49	-1.0	-49.02	389.88	3.46	-45.56
COC1=CC(OC)=CC(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)=C1	REAL300020192416	1	49	-1.0	-49.04	389.96	3.47	-45.57
CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020192417	0	42	-1.0	-42.10	355.78	6.85	-35.25
CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020192417	1	42	-1.0	-42.07	355.85	6.86	-35.21
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192418	0	50	-1.0	-47.25	379.81	4.13	-43.12
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192418	1	50	-1.0	-47.28	379.89	4.14	-43.14
CCC(C)OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192419	0	43	-1.0	-43.50	339.93	5.22	-38.28
CCC(C)OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192419	1	43	-1.0	-43.53	340.01	5.24	-38.29
COC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020192420	0	35	-1.0	-48.11	301.05	2.46	-45.65
COC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020192420	1	35	-1.0	-48.03	300.97	2.44	-45.59
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020192421	0	40	-2.0	-103.52	348.40	4.43	-99.09
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020192421	1	40	-2.0	-103.50	348.47	4.44	-99.06
CC1=CC(O)=CC(=O)N1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192422	0	40	-1.0	-50.38	332.12	1.39	-48.99
CC1=CC(O)=CC(=O)N1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192422	1	40	-1.0	-50.41	332.19	1.40	-49.01
CC1=CC(O)=CC(=O)N1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192423	0	37	-1.0	-55.39	312.83	0.99	-54.40
CC1=CC(O)=CC(=O)N1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192423	1	37	-1.0	-55.42	312.90	0.99	-54.43
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020192424	0	42	-1.0	-49.80	357.55	2.68	-47.12
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020192424	1	42	-1.0	-49.77	357.62	2.68	-47.09
CC1=CC(F)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020192425	0	35	-1.0	-47.62	308.84	5.62	-42.00
CC1=CC(F)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020192425	1	35	-1.0	-47.64	308.91	5.63	-42.01
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CNC(=O)NC1=O	REAL300020192426	0	33	-1.0	-48.81	294.58	-1.14	-49.95
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CNC(=O)NC1=O	REAL300020192426	1	33	-1.0	-48.82	294.66	-1.13	-49.95
COC1=CC=CC(C(C)CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192427	0	43	-1.0	-44.72	345.07	5.27	-39.45
COC1=CC=CC(C(C)CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192427	1	43	-1.0	-44.74	345.14	5.29	-39.45
CC(=CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1OC(F)F	REAL300020192428	0	41	-1.0	-44.02	348.69	5.68	-38.34
CC(=CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1OC(F)F	REAL300020192428	1	41	-1.0	-44.04	348.77	5.69	-38.35
O=C(C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192429	0	41	-1.0	-41.16	363.01	7.04	-34.12
O=C(C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192429	1	41	-1.0	-41.16	363.08	7.05	-34.11
CNS(=O)(=O)C1=CSC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192430	0	35	-1.0	-48.57	320.28	-1.13	-49.70
CNS(=O)(=O)C1=CSC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192430	1	35	-1.0	-48.55	320.36	-1.13	-49.68
O=C(C1=CC=C(OC2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192431	0	38	-1.0	-40.52	330.18	6.00	-34.52
O=C(C1=CC=C(OC2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192431	1	38	-1.0	-40.54	330.25	6.01	-34.53
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NC2=CC=CC=C21	REAL300020192432	0	38	-1.0	-43.19	310.10	4.56	-38.63
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NC2=CC=CC=C21	REAL300020192432	1	38	-1.0	-43.21	310.18	4.56	-38.65
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL300020192433	0	38	-1.0	-45.62	332.00	-1.26	-46.88
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL300020192433	1	38	-1.0	-45.64	332.07	-1.25	-46.89
CC1=C(Br)SC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192434	0	30	-1.0	-39.49	283.47	4.05	-35.44
CC1=C(Br)SC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192434	1	30	-1.0	-39.53	283.54	4.06	-35.47
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192435	0	48	-1.0	-53.23	394.64	8.00	-45.23
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192435	1	48	-1.0	-53.21	394.72	8.01	-45.20
COC1=CC=C(OC)C(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192436	0	41	-1.0	-43.44	343.68	3.36	-40.08
COC1=CC=C(OC)C(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192436	1	41	-1.0	-43.44	343.76	3.36	-40.08
O=C(C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192437	0	42	-1.0	-43.97	353.69	4.45	-39.52
O=C(C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192437	1	42	-1.0	-44.00	353.62	4.44	-39.56
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)OC2=CC=CC=C21	REAL300020192438	0	38	-1.0	-52.85	324.41	5.74	-47.11
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)OC2=CC=CC=C21	REAL300020192438	1	38	-1.0	-52.86	324.48	5.75	-47.11
NC(=O)C1=CC=C(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192439	0	41	-1.0	-46.75	345.04	1.21	-45.54
NC(=O)C1=CC=C(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192439	1	41	-1.0	-46.78	345.11	1.22	-45.56
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=CC(F)=C1	REAL300020192440	0	41	-1.0	-42.87	344.24	5.96	-36.91
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=CC(F)=C1	REAL300020192440	1	41	-1.0	-42.87	344.31	5.97	-36.90
CC1=CC=C2NC=C(CCC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020192441	0	43	-1.0	-45.35	355.42	6.30	-39.05
CC1=CC=C2NC=C(CCC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020192441	1	43	-1.0	-45.35	355.49	6.31	-39.04
O=C(C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192442	0	40	-1.0	-44.41	351.65	6.17	-38.24
O=C(C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192442	1	40	-1.0	-44.42	351.72	6.17	-38.25
O=C(C1=CC(Cl)=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192443	0	34	-1.0	-43.36	309.31	4.51	-38.85
O=C(C1=CC(Cl)=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192443	1	34	-1.0	-43.36	309.38	4.53	-38.83
COC1=CC=C(C2=NNC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1OC	REAL300020192444	0	45	-1.0	-44.44	370.80	3.31	-41.13
COC1=CC=C(C2=NNC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1OC	REAL300020192444	1	45	-1.0	-44.44	370.88	3.31	-41.13
O=C(CCC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192445	0	36	-1.0	-42.17	323.42	6.20	-35.97
O=C(CCC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192445	1	36	-1.0	-42.15	323.50	6.21	-35.94
O=C(C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020192446	0	42	-1.0	-47.01	374.45	2.41	-44.60
O=C(C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020192446	1	42	-1.0	-47.05	374.52	2.42	-44.63
COC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192447	0	37	-1.0	-41.26	320.60	4.13	-37.13
COC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192447	1	37	-1.0	-41.25	320.68	4.14	-37.11
CCC(OC1=CC=CC=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192448	0	40	-1.0	-48.36	333.94	6.15	-42.21
CCC(OC1=CC=CC=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192448	1	40	-1.0	-48.33	334.02	6.15	-42.18
O=C(C1=CNC=C1)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192449	0	40	-1.0	-46.97	332.63	4.76	-42.21
O=C(C1=CNC=C1)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192449	1	40	-1.0	-46.98	332.71	4.78	-42.20
O=C(C1=C(Br)C=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192450	0	27	-1.0	-42.98	255.95	2.68	-40.30
O=C(C1=C(Br)C=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192450	1	27	-1.0	-42.93	256.03	2.69	-40.24
COCCOC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192451	0	41	-1.0	-47.70	354.83	4.57	-43.13
COCCOC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192451	1	41	-1.0	-47.72	354.90	4.57	-43.15
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC2=CC=CC=C2O1	REAL300020192452	0	39	-1.0	-49.87	326.95	6.48	-43.39
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2O1	REAL300020192452	1	39	-1.0	-49.88	327.03	6.50	-43.38
CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192453	0	55	-1.0	-46.66	420.73	3.42	-43.24
CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192453	1	55	-1.0	-46.63	420.81	3.42	-43.21
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192453	1	56	0.0	-74.76	423.08	5.61	-69.15
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192453	1	56	0.0	-74.80	423.15	5.62	-69.18
NC(=O)C1=CC=CC(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192454	0	41	-1.0	-48.80	345.13	1.18	-47.62
NC(=O)C1=CC=CC(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192454	1	41	-1.0	-48.80	345.20	1.19	-47.61
O=C(C1=CC=C(CS(=O)(=O)C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192455	0	39	-1.0	-50.87	348.12	2.17	-48.70
O=C(C1=CC=C(CS(=O)(=O)C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192455	1	39	-1.0	-50.87	348.20	2.19	-48.68
CC1=CC=C(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020192456	0	46	-1.0	-47.20	370.49	6.37	-40.83
CC1=CC=C(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020192456	1	46	-1.0	-47.23	370.57	6.39	-40.84
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=CN(C)N=C2)O1	REAL300020192457	0	39	-1.0	-45.28	334.82	1.65	-43.63
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=CN(C)N=C2)O1	REAL300020192457	1	39	-1.0	-45.31	334.75	1.63	-43.68
CC(C)C1=NN=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020192458	0	40	-1.0	-45.15	336.53	-0.13	-45.28
CC(C)C1=NN=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020192458	1	40	-1.0	-45.16	336.60	-0.13	-45.29
COCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192459	0	44	-1.0	-45.46	356.47	3.65	-41.81
COCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192459	1	44	-1.0	-45.48	356.55	3.67	-41.81
O=C(C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192460	0	43	-1.0	-48.01	366.99	6.00	-42.01
O=C(C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192460	1	43	-1.0	-48.05	367.06	6.01	-42.04
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300020192461	0	50	-1.0	-47.50	363.69	8.18	-39.32
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300020192461	1	50	-1.0	-47.51	363.76	8.18	-39.33
O=C(C1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192462	0	41	-1.0	-44.92	355.24	6.95	-37.97
O=C(C1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192462	1	41	-1.0	-44.95	355.32	6.97	-37.98
N#CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192463	0	42	-1.0	-46.04	369.97	7.91	-38.13
N#CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192463	1	42	-1.0	-46.03	370.04	7.92	-38.11
CSCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020192464	0	37	-1.0	-41.94	321.45	5.47	-36.47
CSCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020192464	1	37	-1.0	-41.95	321.52	5.49	-36.46
O=C(C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192465	0	39	-1.0	-41.83	355.85	5.67	-36.16
O=C(C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192465	1	39	-1.0	-41.86	355.78	5.67	-36.19
O=C(C1=CC=CC(Cl)=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192466	0	32	-1.0	-52.59	298.75	5.36	-47.23
O=C(C1=CC=CC(Cl)=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192466	1	32	-1.0	-52.61	298.82	5.36	-47.25
O=C(CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1)NC1CCCCC1	REAL300020192467	0	50	-1.0	-52.97	397.67	3.53	-49.44
O=C(CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1)NC1CCCCC1	REAL300020192467	1	50	-1.0	-52.93	397.59	3.52	-49.41
COC1=CC=C(C(C)CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192468	0	43	-1.0	-43.45	345.05	5.28	-38.17
COC1=CC=C(C(C)CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192468	1	43	-1.0	-43.47	345.13	5.30	-38.17
CCSC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192469	0	37	-1.0	-43.79	329.85	6.05	-37.74
CCSC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192469	1	37	-1.0	-43.78	329.92	6.05	-37.73
N#CCSC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192470	0	35	-1.0	-49.06	311.05	5.17	-43.89
N#CCSC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192470	1	35	-1.0	-49.03	311.12	5.18	-43.85
CCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020192471	0	38	-1.0	-42.41	312.33	5.39	-37.02
CCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020192471	1	38	-1.0	-42.41	312.41	5.41	-37.00
O=C(C1=NC2=CC(Cl)=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192472	0	35	-1.0	-43.13	312.67	5.39	-37.74
O=C(C1=NC2=CC(Cl)=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192472	1	35	-1.0	-43.14	312.60	5.38	-37.76
CC(C)(C)OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192473	0	43	-1.0	-43.94	330.25	4.72	-39.22
CC(C)(C)OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192473	1	43	-1.0	-43.93	330.32	4.73	-39.20
O=C(C1=CN(C2=CC=CC(Cl)=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192474	0	37	-1.0	-44.44	329.57	7.22	-37.22
O=C(C1=CN(C2=CC=CC(Cl)=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192474	1	37	-1.0	-44.42	329.49	7.22	-37.20
CC1=CC=C(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020192475	0	39	-1.0	-45.35	335.72	6.25	-39.10
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COC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020192495	0	42	-1.0	-45.03	357.93	4.79	-40.24
COC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020192495	1	42	-1.0	-45.06	358.01	4.80	-40.26
CC1=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020192496	0	39	-1.0	-42.14	341.62	6.76	-35.38
CC1=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020192496	1	39	-1.0	-42.19	341.70	6.77	-35.42
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CS(=O)(=O)NCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020192497	1	38	-1.0	-52.99	337.82	-0.92	-53.91
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020192498	0	47	-1.0	-44.04	370.08	5.62	-38.42
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020192498	1	47	-1.0	-44.03	370.01	5.62	-38.41
O=C(CCCCNC(=O)OCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192499	0	50	-1.0	-50.29	417.12	5.05	-45.24
O=C(CCCCNC(=O)OCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192499	1	50	-1.0	-50.32	417.19	5.07	-45.25
CC(C)CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020192500	0	52	-1.0	-48.85	403.47	6.14	-42.71
CC(C)CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020192500	1	52	-1.0	-48.85	403.54	6.15	-42.70
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192501	0	47	-1.0	-41.76	393.44	5.53	-36.23
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192501	1	47	-1.0	-41.76	393.51	5.54	-36.22
O=C(COCC=CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192502	0	41	-1.0	-48.21	346.35	6.46	-41.75
O=C(COCC=CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192502	1	41	-1.0	-48.19	346.42	6.47	-41.72
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192503	0	42	-1.0	-48.59	372.33	1.26	-47.33
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192503	1	42	-1.0	-48.65	372.40	1.26	-47.39
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=NC=C2)=NO1	REAL300020192504	0	38	-1.0	-41.50	331.18	3.99	-37.51
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=NC=C2)=NO1	REAL300020192504	1	38	-1.0	-41.47	331.26	4.00	-37.47
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300020192505	0	59	-1.0	-45.12	438.40	6.80	-38.32
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300020192505	1	59	-1.0	-45.14	438.47	6.81	-38.33
O=C(C1=CC=C(F)C(I)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192506	0	30	-1.0	-39.41	283.32	4.70	-34.71
O=C(C1=CC=C(F)C(I)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192506	1	30	-1.0	-39.40	283.40	4.70	-34.70
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192507	0	36	-1.0	-48.65	312.50	3.36	-45.29
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192507	1	36	-1.0	-48.69	312.57	3.38	-45.31
CC(CC1=CC=C(F)C(Br)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192508	0	39	-1.0	-42.92	345.05	6.55	-36.37
CC(CC1=CC=C(F)C(Br)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192508	1	39	-1.0	-42.91	345.13	6.56	-36.35
CC1=C(S(N)(=O)=O)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020192509	0	35	-1.0	-48.71	314.16	-2.22	-50.93
CC1=C(S(N)(=O)=O)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020192509	1	35	-1.0	-48.75	314.23	-2.20	-50.95
CN1C=NC(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192510	0	38	-1.0	-51.60	338.92	-0.46	-52.06
CN1C=NC(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192510	1	38	-1.0	-51.62	338.84	-0.48	-52.10
O=C(CC1=CC=C([N+](=O)[O-])C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192511	0	35	-1.0	-46.71	326.71	5.93	-40.78
O=C(CC1=CC=C([N+](=O)[O-])C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192511	1	35	-1.0	-46.66	326.78	5.94	-40.72
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192512	0	38	-1.0	-47.59	330.34	6.25	-41.34
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192512	1	38	-1.0	-47.64	330.41	6.26	-41.38
O=C(C1=CN=C(CC2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192513	0	39	-1.0	-42.70	340.80	5.40	-37.30
O=C(C1=CN=C(CC2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192513	1	39	-1.0	-42.73	340.87	5.40	-37.33
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020192514	0	40	-1.0	-42.96	347.76	7.13	-35.83
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020192514	1	40	-1.0	-42.99	347.84	7.13	-35.86
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020192515	0	39	-1.0	-41.75	322.82	5.36	-36.39
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020192515	1	39	-1.0	-41.76	322.89	5.37	-36.39
O=C(C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192516	0	44	-1.0	-44.60	381.01	7.52	-37.08
O=C(C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192516	1	44	-1.0	-44.59	380.94	7.51	-37.08
N#CC1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020192517	0	31	-1.0	-44.50	293.20	4.39	-40.11
N#CC1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020192517	1	31	-1.0	-44.53	293.28	4.40	-40.13
O=C(C1=C(F)C=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192518	0	30	-1.0	-42.32	293.67	4.65	-37.67
O=C(C1=C(F)C=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192518	1	30	-1.0	-42.35	293.75	4.65	-37.70
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192519	0	41	-1.0	-41.14	341.97	5.58	-35.56
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192519	1	41	-1.0	-41.12	341.90	5.56	-35.56
O=C(C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192520	0	40	-1.0	-47.44	348.54	3.76	-43.68
O=C(C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192520	1	40	-1.0	-47.48	348.62	3.77	-43.71
CC1=CC=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192521	0	33	-1.0	-43.28	293.99	4.99	-38.29
CC1=CC=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192521	1	33	-1.0	-43.32	294.06	4.99	-38.33
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Cl)C=C1Cl	REAL300020192522	0	36	-1.0	-47.56	339.14	2.12	-45.44
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Cl)C=C1Cl	REAL300020192522	1	36	-1.0	-47.53	339.21	2.13	-45.40
O=C(C1=CNN=C1C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192523	0	37	-1.0	-48.50	322.62	4.19	-44.31
O=C(C1=CNN=C1C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192523	1	37	-1.0	-48.59	322.71	4.21	-44.38
O=C(C1=CNN=C1C1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020192524	0	37	-1.0	-47.88	323.59	4.19	-43.69
O=C(C1=CNN=C1C1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020192524	1	37	-1.0	-47.86	323.67	4.20	-43.66
O=C(C1=CNN=C1C1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192525	0	37	-1.0	-48.82	315.07	3.72	-45.10
O=C(C1=CNN=C1C1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192525	1	37	-1.0	-48.84	315.14	3.74	-45.10
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=C(Cl)SC(Cl)=C1	REAL300020192526	0	35	-1.0	-41.65	344.53	5.59	-36.06
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=C(Cl)SC(Cl)=C1	REAL300020192526	1	35	-1.0	-41.66	344.60	5.61	-36.05
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CSC2=CC=CC=C12	REAL300020192527	0	41	-1.0	-44.67	356.07	6.73	-37.94
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CSC2=CC=CC=C12	REAL300020192527	1	41	-1.0	-44.65	356.14	6.75	-37.90
O=C(C1=CC(F)=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192528	0	33	-1.0	-39.69	295.49	4.63	-35.06
O=C(C1=CC(F)=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192528	1	33	-1.0	-39.71	295.57	4.65	-35.06
O=C(C1=CNC(=O)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193529	0	32	-1.0	-53.76	291.24	2.50	-51.26
O=C(C1=CNC(=O)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193529	1	32	-1.0	-53.76	291.31	2.50	-51.26
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193529	1	31	-2.0	-79.88	288.26	1.37	-78.51
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193529	1	31	-2.0	-79.96	288.33	1.38	-78.58
CC(C)(C)C1=CN=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020193530	0	44	-1.0	-43.65	360.62	3.03	-40.62
CC(C)(C)C1=CN=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020193530	1	44	-1.0	-43.65	360.70	3.04	-40.61
O=C(CC1=CC=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020193531	0	33	-1.0	-44.35	304.90	5.32	-39.03
O=C(CC1=CC=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020193531	1	33	-1.0	-44.34	304.97	5.34	-39.00
O=C(C1=NNC2=C1CCCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020193532	0	40	-1.0	-44.83	310.16	3.49	-41.34
O=C(C1=NNC2=C1CCCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020193532	1	40	-1.0	-44.84	310.23	3.49	-41.35
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(CC2CC2)=N1	REAL300020193533	0	39	-1.0	-41.04	329.49	4.56	-36.48
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(CC2CC2)=N1	REAL300020193533	1	39	-1.0	-41.02	329.56	4.56	-36.46
CC1=C(C)C=C2C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=COC2=C1	REAL300020193534	0	39	-1.0	-47.64	317.11	5.25	-42.39
CC1=C(C)C=C2C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=COC2=C1	REAL300020193534	1	39	-1.0	-47.63	317.18	5.26	-42.37
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NC(C(F)(F)F)=N1	REAL300020193535	0	34	-1.0	-39.54	307.20	3.49	-36.05
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NC(C(F)(F)F)=N1	REAL300020193535	1	34	-1.0	-39.50	307.27	3.50	-36.00
COCC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193536	0	40	-1.0	-45.23	335.80	4.48	-40.75
COCC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193536	1	40	-1.0	-45.20	335.87	4.50	-40.70
COCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020193537	0	41	-1.0	-44.76	353.34	3.72	-41.04
COCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020193537	1	41	-1.0	-44.76	353.42	3.72	-41.04
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193538	0	42	-1.0	-46.30	362.37	7.35	-38.95
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193538	1	42	-1.0	-46.26	362.44	7.36	-38.90
O=C(C1=CN2C=C(C(F)(F)F)N=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193539	0	36	-1.0	-43.22	327.75	5.45	-37.77
O=C(C1=CN2C=C(C(F)(F)F)N=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193539	1	36	-1.0	-43.19	327.68	5.45	-37.74
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC=C2C)=N1	REAL300020193540	0	42	-1.0	-41.95	349.92	6.44	-35.51
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2C)=N1	REAL300020193540	1	42	-1.0	-41.96	350.00	6.44	-35.52
COC1=NC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020193541	0	36	-1.0	-46.56	311.80	-0.04	-46.60
COC1=NC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020193541	1	36	-1.0	-46.64	311.87	-0.03	-46.67
CN(C)C(=O)COC1=CC=C(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193542	0	47	-1.0	-47.88	395.44	5.51	-42.37
CN(C)C(=O)COC1=CC=C(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193542	1	47	-1.0	-47.86	395.51	5.53	-42.33
CC(C)(C)OC(=O)N1CCCC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020193543	0	54	-1.0	-43.49	411.25	6.87	-36.62
CC(C)(C)OC(=O)N1CCCC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020193543	1	54	-1.0	-43.47	411.32	6.88	-36.59
CCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020193544	0	43	-1.0	-42.45	362.72	6.03	-36.42
CCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020193544	1	43	-1.0	-42.46	362.79	6.03	-36.43
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193545	0	42	-1.0	-48.11	349.81	2.60	-45.51
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193545	1	42	-1.0	-48.10	349.89	2.61	-45.49
O=C(CCC1=CC=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020193546	0	39	-1.0	-45.51	328.20	4.22	-41.29
O=C(CCC1=CC=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020193546	1	39	-1.0	-45.52	328.27	4.24	-41.28
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020193547	0	40	-1.0	-48.04	340.65	-0.26	-48.30
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020193547	1	40	-1.0	-48.01	340.57	-0.27	-48.28
CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020193548	0	37	-1.0	-48.94	322.51	-2.13	-51.07
CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020193548	1	37	-1.0	-48.93	322.44	-2.14	-51.07
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C(F)(F)F)O1	REAL300020193549	0	33	-1.0	-44.60	289.59	3.74	-40.86
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C(F)(F)F)O1	REAL300020193549	1	33	-1.0	-44.63	289.66	3.75	-40.88
CCSCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020193550	0	36	-1.0	-42.08	319.98	4.38	-37.70
CCSCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020193550	1	36	-1.0	-42.15	320.05	4.40	-37.75
CC(C)(C)OC(=O)N1CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1	REAL300020193551	0	51	-1.0	-45.70	401.25	5.90	-39.80
CC(C)(C)OC(=O)N1CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1	REAL300020193551	1	51	-1.0	-45.69	401.32	5.90	-39.79
O=C(C1=CN=C(C(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193552	0	31	-1.0	-39.69	280.79	1.97	-37.72
O=C(C1=CN=C(C(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193552	1	31	-1.0	-39.67	280.71	1.95	-37.72
CN(C)C1=NOC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020193553	0	39	-1.0	-45.05	330.25	3.40	-41.65
CN(C)C1=NOC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020193553	1	39	-1.0	-45.04	330.33	3.41	-41.63
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC(F)=C2)CCC1	REAL300020193554	0	43	-1.0	-50.45	341.49	6.71	-43.74
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC(F)=C2)CCC1	REAL300020193554	1	43	-1.0	-50.46	341.57	6.73	-43.73
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(OC)C=C1	REAL300020193555	0	47	-1.0	-44.49	377.32	5.21	-39.28
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(OC)C=C1	REAL300020193555	1	47	-1.0	-44.54	377.39	5.21	-39.33
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1C	REAL300020193556	0	46	-1.0	-44.48	366.31	6.87	-37.61
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1C	REAL300020193556	1	46	-1.0	-44.47	366.38	6.89	-37.58
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020193557	0	43	-1.0	-42.77	364.55	6.44	-36.33
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020193557	1	43	-1.0	-42.76	364.62	6.44	-36.32
CC(C)(C)OCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020193558	0	42	-1.0	-41.59	343.61	3.45	-38.14
CC(C)(C)OCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020193558	1	42	-1.0	-41.60	343.68	3.46	-38.14
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CCOCC2=CC=CC=C2)CC1	REAL300020193559	0	47	-1.0	-45.03	385.25	6.59	-38.44
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CCOCC2=CC=CC=C2)CC1	REAL300020193559	1	47	-1.0	-45.00	385.33	6.60	-38.40
C[C@H](OCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193560	0	40	-1.0	-47.60	329.90	5.65	-41.95
C[C@H](OCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193560	1	40	-1.0	-47.59	329.97	5.66	-41.93
CC(C)(C)OC(=O)N1CCCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193561	0	53	-1.0	-50.24	387.04	6.47	-43.77
CC(C)(C)OC(=O)N1CCCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193561	1	53	-1.0	-50.27	387.12	6.49	-43.78
O=C(C1=CC=C(C2=CN=CN=C2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193562	0	38	-1.0	-47.98	323.97	5.23	-42.75
O=C(C1=CC=C(C2=CN=CN=C2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193562	1	38	-1.0	-47.94	323.90	5.23	-42.71
O=C(C1=CC(=O)NC(C2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193563	0	37	-1.0	-45.72	315.11	3.10	-42.62
O=C(C1=CC(=O)NC(C2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193563	1	37	-1.0	-45.67	315.19	3.12	-42.55
O=C(C1CCCN1C(=O)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193564	0	37	-1.0	-51.33	317.83	2.75	-48.58
O=C(C1CCCN1C(=O)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193564	1	37	-1.0	-51.39	317.91	2.76	-48.63
O=C(C1CC12CCS(=O)(=O)CC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020193565	0	40	-1.0	-52.66	329.82	1.57	-51.09
O=C(C1CC12CCS(=O)(=O)CC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020193565	1	40	-1.0	-52.71	329.89	1.59	-51.12
CN(C(=O)OC(C)(C)C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CN(C)N=C1	REAL300020193566	0	53	-1.0	-47.51	409.27	4.02	-43.49
CN(C(=O)OC(C)(C)C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CN(C)N=C1	REAL300020193566	1	53	-1.0	-47.52	409.19	4.02	-43.50
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020193567	0	34	-1.0	-50.87	300.55	-3.33	-54.20
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020193567	1	34	-1.0	-50.85	300.47	-3.33	-54.18
O=C(C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC=N1)C1=CC=CC=C1	REAL300020193568	0	39	-1.0	-55.09	324.98	7.27	-47.82
O=C(C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC=N1)C1=CC=CC=C1	REAL300020193568	1	39	-1.0	-55.09	325.05	7.28	-47.81
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CN(C(=O)OC(C)(C)C)C1	REAL300020193569	0	50	-1.0	-50.26	393.60	4.50	-45.76
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CN(C(=O)OC(C)(C)C)C1	REAL300020193569	1	50	-1.0	-50.26	393.67	4.51	-45.75
CC1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020193570	0	53	-1.0	-52.50	399.70	6.09	-46.41
CC1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020193570	1	53	-1.0	-52.51	399.77	6.10	-46.41
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193571	0	46	-1.0	-43.92	376.34	9.00	-34.92
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193571	1	46	-1.0	-43.93	376.41	9.00	-34.93
COC1=CC=C(CN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1OC	REAL300020193572	0	48	-1.0	-48.89	395.15	4.46	-44.43
COC1=CC=C(CN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C=C1OC	REAL300020193572	1	48	-1.0	-48.88	395.08	4.46	-44.42
CC1=CC=C(C2=CNC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020193573	0	38	-1.0	-51.40	326.29	5.12	-46.28
CC1=CC=C(C2=CNC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020193573	1	38	-1.0	-51.43	326.36	5.12	-46.31
CCN1C=C(C2=NNC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020193574	0	40	-1.0	-51.86	331.38	2.33	-49.53
CCN1C=C(C2=NNC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020193574	1	40	-1.0	-51.91	331.46	2.34	-49.57
O=C(CCCCCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193575	0	45	-1.0	-45.57	373.02	7.99	-37.58
O=C(CCCCCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193575	1	45	-1.0	-45.59	373.10	8.00	-37.59
O=C(C1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193576	0	33	-1.0	-39.42	305.82	5.08	-34.34
O=C(C1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193576	1	33	-1.0	-39.47	305.89	5.09	-34.38
CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCC(C4=N[N-]N=N4)C1)(C2)C3	REAL300020193577	0	53	-1.0	-42.64	370.75	6.88	-35.76
CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCC(C4=NN=N[N-]4)C1)(C2)C3	REAL300020193577	1	53	-1.0	-42.66	370.83	6.88	-35.78
CC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020193578	0	39	-1.0	-42.69	340.77	6.71	-35.98
CC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020193578	1	39	-1.0	-42.72	340.84	6.73	-35.99
O=C(C1=CN=C(CC2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193579	0	39	-1.0	-42.19	346.26	5.44	-36.75
O=C(C1=CN=C(CC2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193579	1	39	-1.0	-42.18	346.33	5.45	-36.73
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1Cl	REAL300020193580	0	38	-1.0	-47.16	331.50	3.65	-43.51
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1Cl	REAL300020193580	1	38	-1.0	-47.17	331.57	3.65	-43.52
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020193581	0	50	-1.0	-53.18	389.84	4.85	-48.33
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020193581	1	50	-1.0	-53.19	389.92	4.86	-48.33
O=C(C(O)CC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193582	0	40	-1.0	-43.84	346.36	4.25	-39.59
O=C(C(O)CC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193582	1	40	-1.0	-43.85	346.44	4.27	-39.58
CC(C)(C)C1=NN=C2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN21	REAL300020193583	0	44	-1.0	-43.66	357.63	6.31	-37.35
CC(C)(C)C1=NN=C2C=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN21	REAL300020193583	1	44	-1.0	-43.67	357.56	6.31	-37.36
CCCCOC1=CC(OC)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193584	0	47	-1.0	-46.65	376.88	5.65	-41.00
CCCCOC1=CC(OC)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193584	1	47	-1.0	-46.67	376.95	5.65	-41.02
COC1=CC=C(F)C=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193585	0	37	-1.0	-45.55	315.42	4.18	-41.37
COC1=CC=C(F)C=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193585	1	37	-1.0	-45.54	315.49	4.20	-41.34
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=N1	REAL300020193586	0	37	-1.0	-45.42	318.84	3.75	-41.67
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=N1	REAL300020193586	1	37	-1.0	-45.46	318.92	3.76	-41.70
O=C(CC1(CSC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193587	0	44	-1.0	-43.42	369.82	7.99	-35.43
O=C(CC1(CSC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193587	1	44	-1.0	-43.48	369.90	8.00	-35.48
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193588	0	40	-1.0	-45.42	332.93	6.05	-39.37
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193588	1	40	-1.0	-45.39	332.86	6.04	-39.35
O=C(CCCCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020193589	0	44	-1.0	-45.71	371.73	7.04	-38.67
O=C(CCCCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020193589	1	44	-1.0	-45.76	371.81	7.04	-38.72
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CC(C(F)(F)F)(C1)C2	REAL300020193590	0	34	-1.0	-41.30	294.46	4.45	-36.85
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CC(C(F)(F)F)(C1)C2	REAL300020193590	1	34	-1.0	-41.33	294.53	4.45	-36.88
O=C(C1=CNC2=C(F)C=C(F)C=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193591	0	36	-1.0	-52.42	323.18	3.97	-48.45
O=C(C1=CNC2=C(F)C=C(F)C=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193591	1	36	-1.0	-52.41	323.25	3.98	-48.43
O=C(C1=C(C2=CC=C(F)C=C2)OC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193592	0	36	-1.0	-43.58	315.02	3.13	-40.45
O=C(C1=C(C2=CC=C(F)C=C2)OC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193592	1	36	-1.0	-43.58	314.95	3.11	-40.47
CCN1C=C(C2=NN(C)C=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020193593	0	43	-1.0	-52.87	354.30	3.65	-49.22
CCN1C=C(C2=NN(C)C=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020193593	1	43	-1.0	-52.86	354.23	3.64	-49.22
O=C(CCC1=CN=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020193594	0	41	-1.0	-44.70	340.10	5.93	-38.77
O=C(CCC1=CN=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020193594	1	41	-1.0	-44.72	340.03	5.92	-38.80
COC(=O)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193595	0	39	-1.0	-47.81	327.00	4.99	-42.82
COC(=O)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193595	1	39	-1.0	-47.83	327.08	5.01	-42.82
O=C(C1=CC=C(C2=NNC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193596	0	36	-1.0	-48.54	305.09	4.42	-44.12
O=C(C1=CC=C(C2=NNC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193596	1	36	-1.0	-48.57	305.17	4.43	-44.14
COC1=CC2=CC=C([C@H](C)C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020193597	0	46	-1.0	-47.07	370.23	6.71	-40.36
COC1=CC2=CC=C([C@H](C)C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020193597	1	46	-1.0	-47.08	370.31	6.73	-40.35
CC(NC(=O)CC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193598	0	45	-1.0	-40.83	351.71	2.77	-38.06
CC(NC(=O)CC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193598	1	45	-1.0	-40.89	351.78	2.78	-38.11
CCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020193599	0	44	-1.0	-44.48	361.20	6.22	-38.26
CCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020193599	1	44	-1.0	-44.51	361.27	6.23	-38.28
CC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300020193600	0	47	-1.0	-44.33	379.12	6.85	-37.48
CC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300020193600	1	47	-1.0	-44.36	379.20	6.85	-37.51
O=C(C1=C(I)C=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193601	0	27	-1.0	-39.75	257.58	1.64	-38.11
O=C(C1=C(I)C=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193601	1	27	-1.0	-39.72	257.66	1.64	-38.08
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1OC	REAL300020193602	0	47	-1.0	-47.54	377.25	5.38	-42.16
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1OC	REAL300020193602	1	47	-1.0	-47.53	377.32	5.40	-42.13
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=N1	REAL300020193603	0	37	-1.0	-43.18	335.58	4.23	-38.95
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=N1	REAL300020193603	1	37	-1.0	-43.16	335.66	4.24	-38.92
CC1=NC=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020193604	0	31	-1.0	-39.92	283.10	3.07	-36.85
CC1=NC=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020193604	1	31	-1.0	-39.91	283.17	3.09	-36.82
O=C(C1=COC(C2CCCCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193605	0	42	-1.0	-40.70	337.88	3.27	-37.43
O=C(C1=COC(C2CCCCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193605	1	42	-1.0	-40.70	337.95	3.27	-37.43
CN1C(=O)NC2=NC=C(C3=CC=CC(C(=O)N4CCC(C5=N[N-]N=N5)C4)=C3)C=C21	REAL300020193606	0	46	-1.0	-51.31	377.24	5.08	-46.23
CN1C(=O)NC2=NC=C(C3=CC=CC(C(=O)N4CCC(C5=NN=N[N-]5)C4)=C3)C=C21	REAL300020193606	1	46	-1.0	-51.33	377.31	5.10	-46.23
NC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193607	0	34	-1.0	-43.51	294.43	2.43	-41.08
NC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193607	1	34	-1.0	-43.57	294.51	2.45	-41.12
O=C(CNC(=O)C1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193608	0	37	-1.0	-43.48	326.03	2.69	-40.79
O=C(CNC(=O)C1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193608	1	37	-1.0	-43.45	326.10	2.70	-40.75
O=C(CNC(=O)C1=CC=NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193609	0	36	-1.0	-43.06	310.34	0.79	-42.27
O=C(CNC(=O)C1=CC=NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193609	1	36	-1.0	-43.07	310.27	0.78	-42.29
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193610	0	40	-1.0	-50.96	339.63	4.21	-46.75
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193610	1	40	-1.0	-50.98	339.55	4.20	-46.78
N#CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020193611	0	31	-1.0	-44.35	286.22	4.36	-39.99
N#CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020193611	1	31	-1.0	-44.33	286.29	4.36	-39.97
O=C(C1=CNN=C1C1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193612	0	34	-1.0	-46.67	314.27	3.43	-43.24
O=C(C1=CNN=C1C1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193612	1	34	-1.0	-46.68	314.34	3.44	-43.24
CC1=CN(C2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(C)=NN2C)N=C1	REAL300020193613	0	43	-1.0	-50.58	361.17	4.87	-45.71
CC1=CN(C2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(C)=NN2C)N=C1	REAL300020193613	1	43	-1.0	-50.63	361.10	4.86	-45.77
O=C(CNC(=O)C1=CC=C(Br)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193614	0	34	-1.0	-41.55	328.85	2.29	-39.26
O=C(CNC(=O)C1=CC=C(Br)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193614	1	34	-1.0	-41.56	328.92	2.29	-39.27
O=C(CNC(=O)C1=CC=CC(O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193615	0	38	-1.0	-44.67	326.09	-0.30	-44.97
O=C(CNC(=O)C1=CC=CC(O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193615	1	38	-1.0	-44.64	326.17	-0.29	-44.93
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193616	0	37	-1.0	-41.49	327.90	2.68	-38.81
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193616	1	37	-1.0	-41.52	327.97	2.69	-38.83
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193617	0	37	-1.0	-42.87	327.76	2.66	-40.21
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193617	1	37	-1.0	-42.84	327.84	2.68	-40.16
O=C(CNC(=O)C1=CC2=C(CCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193618	0	41	-1.0	-43.33	353.10	3.56	-39.77
O=C(CNC(=O)C1=CC2=C(CCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193618	1	41	-1.0	-43.33	353.17	3.58	-39.75
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020193619	0	37	-1.0	-46.20	340.86	2.88	-43.32
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020193619	1	37	-1.0	-46.22	340.93	2.89	-43.33
C=CCCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020193620	0	43	-1.0	-44.07	350.77	7.15	-36.92
C=CCCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020193620	1	43	-1.0	-43.99	350.85	7.17	-36.82
CCOC(=O)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193621	0	49	-1.0	-39.47	400.34	2.75	-36.72
CCOC(=O)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193621	1	49	-1.0	-39.42	400.41	2.76	-36.66
O=C(C1COCCN1CC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193622	0	39	-1.0	-43.55	315.10	0.49	-43.06
O=C(C1COCCN1CC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193622	1	39	-1.0	-43.56	315.17	0.51	-43.05
N#CC(=CC1=CC=C(O)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193623	0	36	-1.0	-41.98	310.97	2.05	-39.93
N#CC(=CC1=CC=C(O)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193623	1	36	-1.0	-42.02	311.04	2.07	-39.95
CCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CN(C)C1=O	REAL300020193624	0	39	-1.0	-44.25	327.38	4.15	-40.10
CCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CN(C)C1=O	REAL300020193624	1	39	-1.0	-44.20	327.45	4.16	-40.04
CSCC(C)C(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020193625	0	50	-1.0	-47.83	396.17	5.31	-42.52
CSCC(C)C(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020193625	1	50	-1.0	-47.86	396.24	5.33	-42.53
O=C(C1=CN2C(=S)NN=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193626	0	33	-1.0	-46.45	304.14	4.91	-41.54
O=C(C1=CN2C(=S)NN=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193626	1	33	-1.0	-46.46	304.21	4.91	-41.55
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193626	1	32	-2.0	-86.41	300.67	4.74	-81.67
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193626	1	32	-2.0	-86.45	300.74	4.74	-81.71
COCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020193627	0	57	-1.0	-47.28	418.59	3.93	-43.35
COCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020193627	1	57	-1.0	-47.30	418.66	3.93	-43.37
N#CC1=CC=CC(N2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020193628	0	38	-1.0	-51.15	335.44	5.77	-45.38
N#CC1=CC=CC(N2C=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020193628	1	38	-1.0	-51.15	335.36	5.75	-45.40
CC1=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Br)S1	REAL300020193629	0	33	-1.0	-42.96	310.42	4.86	-38.10
CC1=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Br)S1	REAL300020193629	1	33	-1.0	-42.92	310.49	4.87	-38.05
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193630	0	46	-1.0	-39.15	379.98	4.72	-34.43
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193630	1	46	-1.0	-39.18	380.05	4.72	-34.46
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193631	0	40	-1.0	-44.86	339.34	6.12	-38.74
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193631	1	40	-1.0	-44.85	339.27	6.11	-38.74
O=C(C(F)C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193632	0	36	-1.0	-43.53	321.86	5.71	-37.82
O=C(C(F)C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193632	1	36	-1.0	-43.54	321.93	5.72	-37.82
CCC(C)(C)C1CCC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020193633	0	54	-1.0	-42.21	376.56	7.30	-34.91
CCC(C)(C)C1CCC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020193633	1	54	-1.0	-42.21	376.64	7.31	-34.90
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N=C1	REAL300020193634	0	39	-1.0	-46.51	328.95	3.52	-42.99
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N=C1	REAL300020193634	1	39	-1.0	-46.51	328.88	3.50	-43.01
CC(C)(CC(=O)C1=CC=CC=C1)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193635	0	47	-1.0	-50.63	366.25	7.21	-43.42
CC(C)(CC(=O)C1=CC=CC=C1)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193635	1	47	-1.0	-50.64	366.32	7.23	-43.41
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193636	0	40	-1.0	-52.70	329.18	2.55	-50.15
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193636	1	40	-1.0	-52.75	329.25	2.56	-50.19
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(C2=CC=CC=C2Cl)=NO1	REAL300020193637	0	41	-1.0	-43.58	351.17	5.59	-37.99
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(C2=CC=CC=C2Cl)=NO1	REAL300020193637	1	41	-1.0	-43.59	351.24	5.60	-37.99
O=C(C1=CN=C(C2OCCO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193638	0	35	-1.0	-43.43	306.89	0.54	-42.89
O=C(C1=CN=C(C2OCCO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193638	1	35	-1.0	-43.45	306.97	0.57	-42.88
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020193639	0	39	-2.0	-90.72	344.92	4.34	-86.38
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193639	1	39	-2.0	-86.94	345.02	4.38	-82.56
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020193639	1	39	-2.0	-90.75	345.00	4.34	-86.41
NS(=O)(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Cl)S1	REAL300020193640	0	32	-1.0	-52.76	312.13	-0.76	-53.52
NS(=O)(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Cl)S1	REAL300020193640	1	32	-1.0	-52.75	312.20	-0.75	-53.50
CCCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=N1	REAL300020193641	0	41	-1.0	-42.05	325.59	4.78	-37.27
CCCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=N1	REAL300020193641	1	41	-1.0	-42.06	325.67	4.80	-37.26
O=C(C1=CC=CC=C1NC1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193642	0	48	-1.0	-42.72	369.17	6.17	-36.55
O=C(C1=CC=CC=C1NC1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193642	1	48	-1.0	-42.69	369.24	6.17	-36.52
CC(C)(C)C1=NN=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020193643	0	37	-1.0	-40.30	318.58	2.80	-37.50
CC(C)(C)C1=NN=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020193643	1	37	-1.0	-40.33	318.51	2.79	-37.54
O=C(C1=CC2=CC=CC(Br)=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193644	0	36	-1.0	-44.73	314.54	6.30	-38.43
O=C(C1=CC2=CC=CC(Br)=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193644	1	36	-1.0	-44.75	314.61	6.32	-38.43
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020193645	0	39	-1.0	-43.18	335.52	6.17	-37.01
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020193645	1	39	-1.0	-43.20	335.60	6.17	-37.03
CC1=CC=C2OC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2=C1	REAL300020193646	0	41	-1.0	-47.10	329.29	6.24	-40.86
CC1=CC=C2OC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2=C1	REAL300020193646	1	41	-1.0	-47.12	329.36	6.25	-40.87
O=C(C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193647	0	38	-1.0	-46.70	348.65	6.49	-40.21
O=C(C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193647	1	38	-1.0	-46.74	348.73	6.49	-40.25
COC1=CC=C(C2=NC(C)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C(F)=C1	REAL300020193648	0	43	-1.0	-42.60	367.30	4.57	-38.03
COC1=CC=C(C2=NC(C)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C(F)=C1	REAL300020193648	1	43	-1.0	-42.61	367.23	4.56	-38.05
CCN1N=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(C)N=C21	REAL300020193649	0	41	-1.0	-42.96	338.38	4.35	-38.61
CCN1N=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(C)N=C21	REAL300020193649	1	41	-1.0	-42.99	338.45	4.36	-38.63
CC(O)(CCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193650	0	43	-1.0	-42.26	343.67	3.78	-38.48
CC(O)(CCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193650	1	43	-1.0	-42.28	343.75	3.78	-38.50
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020193651	0	36	-1.0	-50.38	310.66	4.94	-45.44
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020193651	1	36	-1.0	-50.41	310.73	4.94	-45.47
COCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C2=CC=CC=C2)S1	REAL300020193652	0	43	-1.0	-44.92	372.35	5.01	-39.91
COCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C2=CC=CC=C2)S1	REAL300020193652	1	43	-1.0	-44.92	372.42	5.01	-39.91
CCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C2C(C(C)C)=NOC2=N1	REAL300020193653	0	46	-1.0	-41.18	373.85	3.48	-37.70
CCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C2C(C(C)C)=NOC2=N1	REAL300020193653	1	46	-1.0	-41.15	373.92	3.50	-37.65
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193654	0	43	-1.0	-43.16	345.41	7.29	-35.87
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193654	1	43	-1.0	-43.15	345.49	7.31	-35.84
O=C(C1=CC2=C(N=C(N3CCCC3)S2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193655	0	41	-1.0	-41.70	354.43	4.11	-37.59
O=C(C1=CC2=C(N=C(N3CCCC3)S2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193655	1	41	-1.0	-41.69	354.36	4.10	-37.59
O=C(C1=CC=C(Cl)C2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020193656	0	35	-1.0	-42.98	308.68	4.68	-38.30
O=C(C1=CC=C(Cl)C2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020193656	1	35	-1.0	-42.98	308.61	4.68	-38.30
COCCOC1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193657	0	40	-1.0	-44.24	330.11	1.29	-42.95
COCCOC1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193657	1	40	-1.0	-44.21	330.03	1.27	-42.94
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Br)C=C1[N+](=O)[O-]	REAL300020193658	0	34	-1.0	-39.02	311.44	3.26	-35.76
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Br)C=C1[N+](=O)[O-]	REAL300020193658	1	34	-1.0	-38.98	311.52	3.27	-35.71
O=C(C1=C2NC=CC(=O)N2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193659	0	33	-1.0	-51.47	282.24	1.49	-49.98
O=C(C1=C2NC=CC(=O)N2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193659	1	33	-1.0	-51.48	282.32	1.50	-49.98
CCOC(=O)OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193660	0	40	-1.0	-44.94	338.34	5.48	-39.46
CCOC(=O)OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193660	1	40	-1.0	-44.93	338.42	5.49	-39.44
O=C(C1CC12CCC1=CC(Br)=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020193661	0	41	-1.0	-41.03	355.26	7.68	-33.35
O=C(C1CC12CCC1=CC(Br)=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020193661	1	41	-1.0	-41.03	355.33	7.69	-33.34
COC1=CC=C(C(=O)N2CCCC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193662	0	48	-1.0	-58.23	382.86	5.51	-52.72
COC1=CC=C(C(=O)N2CCCC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193662	1	48	-1.0	-58.19	382.93	5.51	-52.68
O=C(C1=CC=C(OC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193663	0	40	-1.0	-41.48	338.89	5.59	-35.89
O=C(C1=CC=C(OC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193663	1	40	-1.0	-41.47	338.82	5.58	-35.89
O=C(C1=CC=CC=C1SC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020193664	0	43	-1.0	-53.70	374.10	8.21	-45.49
O=C(C1=CC=CC=C1SC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020193664	1	43	-1.0	-53.73	374.18	8.22	-45.51
CC1=CC=CC(OC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193665	0	44	-1.0	-49.19	364.27	8.00	-41.19
CC1=CC=CC(OC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193665	1	44	-1.0	-49.17	364.34	8.01	-41.16
O=C(C1=CC=CC=C1OC1=CC=NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193666	0	40	-1.0	-48.01	337.20	5.56	-42.45
O=C(C1=CC=CC=C1OC1=CC=NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193666	1	40	-1.0	-48.04	337.28	5.57	-42.47
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CSC(C2=CC=CS2)=N1	REAL300020193667	0	42	-1.0	-52.14	359.41	5.66	-46.48
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CSC(C2=CC=CS2)=N1	REAL300020193667	1	42	-1.0	-52.12	359.33	5.66	-46.46
O=C(C1CCN(CC(F)F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193668	0	41	-1.0	-39.27	318.92	2.24	-37.03
O=C(C1CCN(CC(F)F)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193668	1	41	-1.0	-39.24	318.99	2.26	-36.98
O=C(C1C2C3CC4C5CC(C2C35)C41)N1CCC(C2=N[N-]N=N2)C1	REAL300020193669	0	43	-1.0	-44.11	311.96	6.18	-37.93
O=C(C1C2C3CC4C5CC(C2C35)C41)N1CCC(C2=NN=N[N-]2)C1	REAL300020193669	1	43	-1.0	-44.14	312.03	6.18	-37.96
O=C(C1=CC=NC=C1OC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193670	0	40	-1.0	-46.84	337.51	5.46	-41.38
O=C(C1=CC=NC=C1OC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193670	1	40	-1.0	-46.84	337.44	5.45	-41.39
O=C(C1=NC=CC=C1OC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193671	0	40	-1.0	-48.72	336.29	6.77	-41.95
O=C(C1=NC=CC=C1OC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193671	1	40	-1.0	-48.75	336.21	6.77	-41.98
CC1=NN(C)C(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193672	0	33	-1.0	-42.15	304.74	2.78	-39.37
CC1=NN(C)C(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193672	1	33	-1.0	-42.14	304.81	2.79	-39.35
CC(SC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1)C(N)=O	REAL300020193673	0	41	-1.0	-53.38	348.81	2.08	-51.30
CC(SC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1)C(N)=O	REAL300020193673	1	41	-1.0	-53.34	348.88	2.09	-51.25
O=C(CC1=C(F)C=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193674	0	33	-1.0	-44.67	311.95	5.44	-39.23
O=C(CC1=C(F)C=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193674	1	33	-1.0	-44.69	312.03	5.44	-39.25
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193675	0	41	-1.0	-53.15	343.72	5.17	-47.98
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193675	1	41	-1.0	-53.11	343.80	5.17	-47.94
CC1=C(F)C=CC(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193676	0	33	-1.0	-41.69	300.38	4.91	-36.78
CC1=C(F)C=CC(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193676	1	33	-1.0	-41.70	300.46	4.92	-36.78
CCOC(CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1N)OCC	REAL300020193677	0	49	-1.0	-45.01	390.97	2.09	-42.92
CCOC(CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1N)OCC	REAL300020193677	1	49	-1.0	-45.07	390.89	2.08	-42.99
COC1=CC=C2OC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020193678	0	37	-1.0	-51.09	308.24	3.33	-47.76
COC1=CC=C2OC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020193678	1	37	-1.0	-51.07	308.32	3.34	-47.73
CCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C2C(CC(C)(C)C)=NOC2=N1	REAL300020193679	0	52	-1.0	-41.81	403.04	5.16	-36.65
CCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C2C(CC(C)(C)C)=NOC2=N1	REAL300020193679	1	52	-1.0	-41.80	403.11	5.16	-36.64
CCCC1=NOC2=NC(CC)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020193680	0	46	-1.0	-42.60	370.86	3.61	-38.99
CCCC1=NOC2=NC(CC)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020193680	1	46	-1.0	-42.66	370.95	3.62	-39.04
CC(C)C(NC(=O)C(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193681	0	48	-1.0	-40.14	363.71	3.15	-36.99
CC(C)C(NC(=O)C(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193681	1	48	-1.0	-40.15	363.78	3.16	-36.99
CC(C)(COCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193682	0	46	-1.0	-41.83	361.56	5.69	-36.14
CC(C)(COCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193682	1	46	-1.0	-41.89	361.63	5.70	-36.19
O=C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020193683	0	40	-1.0	-56.54	352.24	1.95	-54.59
O=C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020193683	1	40	-1.0	-56.55	352.31	1.95	-54.60
O=C(C1=C(C2(O)CCOCC2)OC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193684	0	42	-1.0	-45.28	328.84	1.36	-43.92
O=C(C1=C(C2(O)CCOCC2)OC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193684	1	42	-1.0	-45.25	328.92	1.38	-43.87
O=C(C1=CC(Br)=CC2=NNN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020193685	0	32	-1.0	-44.95	296.39	1.65	-43.30
O=C(C1=CC(Br)=CC2=NNN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020193685	1	32	-1.0	-44.94	296.46	1.66	-43.28
CC(C)C(CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020193686	0	52	-1.0	-49.49	396.94	3.85	-45.64
CC(C)C(CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020193686	1	52	-1.0	-49.50	397.01	3.86	-45.64
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)CN2N=NN=C2N1C	REAL300020193687	0	38	-1.0	-42.19	313.87	4.31	-37.88
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)CN2N=NN=C2N1C	REAL300020193687	1	38	-1.0	-42.22	313.80	4.31	-37.91
O=C(C1=CN=CC(N2C=CN=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193688	0	35	-1.0	-46.42	297.49	1.70	-44.72
O=C(C1=CN=CC(N2C=CN=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193688	1	35	-1.0	-46.39	297.42	1.70	-44.69
O=C(C1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193689	0	33	-1.0	-42.78	316.95	5.86	-36.92
O=C(C1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193689	1	33	-1.0	-42.75	316.88	5.85	-36.90
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1CCOC1=CC=C(F)C=C1	REAL300020193690	0	46	-1.0	-43.46	388.73	4.57	-38.89
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1CCOC1=CC=C(F)C=C1	REAL300020193690	1	46	-1.0	-43.46	388.80	4.59	-38.87
CC(C)[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193691	0	43	-1.0	-40.12	369.39	3.94	-36.18
CC(C)[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193691	1	43	-1.0	-40.16	369.46	3.95	-36.21
CN1C=C(OC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020193692	0	41	-1.0	-49.34	345.22	5.06	-44.28
CN1C=C(OC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020193692	1	41	-1.0	-49.31	345.15	5.04	-44.27
COC1=CC=CC=C1N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020193693	0	44	-1.0	-47.59	356.87	4.74	-42.85
COC1=CC=CC=C1N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020193693	1	44	-1.0	-47.59	356.94	4.75	-42.84
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193694	0	46	-1.0	-47.42	374.13	5.62	-41.80
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193694	1	46	-1.0	-47.39	374.20	5.62	-41.77
NC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1Cl	REAL300020193695	0	33	-1.0	-46.28	297.08	-0.05	-46.33
NC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1Cl	REAL300020193695	1	33	-1.0	-46.27	297.01	-0.07	-46.34
NC1=C(F)C=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193696	0	32	-1.0	-38.32	288.23	2.43	-35.89
NC1=C(F)C=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193696	1	32	-1.0	-38.37	288.30	2.45	-35.92
CCC(O)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020193697	0	40	-1.0	-41.78	331.40	3.42	-38.36
CCC(O)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020193697	1	40	-1.0	-41.78	331.48	3.43	-38.35
CCC1=NC2=CC=CC=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020193698	0	44	-1.0	-43.02	357.84	5.95	-37.07
CCC1=NC2=CC=CC=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020193698	1	44	-1.0	-43.05	357.92	5.95	-37.10
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020193699	0	41	-1.0	-43.99	346.51	1.53	-42.46
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020193699	1	41	-1.0	-43.99	346.58	1.54	-42.45
O=C(C1=NN2C=CC(Cl)=CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193700	0	33	-1.0	-43.14	301.08	4.38	-38.76
O=C(C1=NN2C=CC(Cl)=CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193700	1	33	-1.0	-43.14	301.01	4.38	-38.76
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020193701	0	37	-1.0	-50.04	322.72	-0.24	-50.28
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020193701	1	37	-1.0	-50.03	322.79	-0.22	-50.25
O=C(C1=CC=C2NC(=O)NC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193702	0	33	-1.0	-44.57	285.25	0.59	-43.98
O=C(C1=CC=C2NC(=O)NC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193702	1	33	-1.0	-44.56	285.32	0.60	-43.96
CC1=CC=C2C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CSC2=C1	REAL300020193703	0	36	-1.0	-45.28	305.83	5.63	-39.65
CC1=CC=C2C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CSC2=C1	REAL300020193703	1	36	-1.0	-45.24	305.90	5.64	-39.60
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300020193704	0	39	-1.0	-42.85	349.72	6.50	-36.35
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300020193704	1	39	-1.0	-42.87	349.65	6.49	-36.38
O=C(CN1CCC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193705	0	41	-1.0	-53.89	339.53	5.18	-48.71
O=C(CN1CCC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193705	1	41	-1.0	-53.91	339.61	5.19	-48.72
CC1=CC(=O)N(CC(C)(O)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193706	0	43	-1.0	-49.66	343.56	1.98	-47.68
CC1=CC(=O)N(CC(C)(O)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193706	1	43	-1.0	-49.64	343.63	1.99	-47.65
CN(C)C1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020193707	0	40	-1.0	-43.47	340.16	5.04	-38.43
CN(C)C1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020193707	1	40	-1.0	-43.46	340.23	5.05	-38.41
NC1=NC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020193708	0	33	-1.0	-49.20	291.83	1.82	-47.38
NC1=NC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020193708	1	33	-1.0	-49.22	291.75	1.81	-47.41
O=C(CCCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020193709	0	41	-1.0	-52.89	365.14	6.80	-46.09
O=C(CCCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020193709	1	41	-1.0	-52.90	365.21	6.82	-46.08
O=C(C1=CC=CN1C1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020193710	0	38	-1.0	-45.50	348.96	7.86	-37.64
O=C(C1=CC=CN1C1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020193710	1	38	-1.0	-45.46	349.04	7.86	-37.60
CC(C)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020193711	0	40	-1.0	-44.61	320.00	2.93	-41.68
CC(C)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020193711	1	40	-1.0	-44.61	319.93	2.93	-41.68
O=C(C1=CC=C(OC(F)(F)Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193712	0	34	-1.0	-40.95	306.29	3.87	-37.08
O=C(C1=CC=C(OC(F)(F)Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193712	1	34	-1.0	-40.92	306.36	3.89	-37.03
CN1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C1=O	REAL300020193713	0	41	-1.0	-52.86	331.79	4.86	-48.00
CN1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C1=O	REAL300020193713	1	41	-1.0	-52.86	331.86	4.87	-47.99
O=C(C1=CC2=CC=CC=C2N1CC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193714	0	40	-1.0	-43.66	341.53	6.53	-37.13
O=C(C1=CC2=CC=CC=C2N1CC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193714	1	40	-1.0	-43.69	341.61	6.53	-37.16
O=C(C1=CNC=C1C1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193715	0	38	-1.0	-53.91	322.12	5.24	-48.67
O=C(C1=CNC=C1C1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193715	1	38	-1.0	-53.92	322.22	5.26	-48.66
CCCCCCCCCC(C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193716	0	56	-1.0	-42.32	427.66	9.24	-33.08
CCCCCCCCCC(C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193716	1	56	-1.0	-42.38	427.74	9.25	-33.13
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CNC2=CC=CC=C12	REAL300020193717	0	43	-1.0	-46.77	350.13	6.15	-40.62
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CNC2=CC=CC=C12	REAL300020193717	1	43	-1.0	-46.82	350.21	6.15	-40.67
NC(=O)CC(NC(=O)C1=CC=CC=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193718	0	44	-1.0	-50.35	374.81	2.11	-48.24
NC(=O)CC(NC(=O)C1=CC=CC=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193718	1	44	-1.0	-50.35	374.88	2.12	-48.23
O=C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020193719	0	41	-1.0	-58.34	363.02	-0.37	-58.71
O=C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020193719	1	41	-1.0	-58.35	363.10	-0.35	-58.70
O=C(C1=CC(O)=C2C=CSC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193720	0	34	-1.0	-44.02	297.83	2.06	-41.96
O=C(C1=CC(O)=C2C=CSC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193720	1	34	-1.0	-44.00	297.90	2.08	-41.92
O=C(C1=NC2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193721	0	31	-1.0	-46.08	279.62	1.29	-44.79
O=C(C1=NC2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193721	1	31	-1.0	-46.07	279.55	1.29	-44.78
NC1=C(Cl)C=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020193722	0	32	-1.0	-41.79	295.49	2.74	-39.05
NC1=C(Cl)C=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020193722	1	32	-1.0	-41.82	295.56	2.74	-39.08
O=C(C1=CC=C(NCC2CC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193723	0	41	-1.0	-44.45	332.82	3.83	-40.62
O=C(C1=CC=C(NCC2CC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193723	1	41	-1.0	-44.44	332.75	3.82	-40.62
CN1C=C2C(=N1)CCCC2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193724	0	40	-1.0	-46.52	322.62	3.95	-42.57
CN1C=C2C(=N1)CCCC2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193724	1	40	-1.0	-46.48	322.70	3.96	-42.52
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2CC2)=N1	REAL300020193725	0	36	-1.0	-41.35	307.62	3.90	-37.45
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2CC2)=N1	REAL300020193725	1	36	-1.0	-41.41	307.69	3.92	-37.49
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CN=CC(Br)=C2)CC1	REAL300020193726	0	36	-1.0	-42.25	320.76	4.45	-37.80
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CN=CC(Br)=C2)CC1	REAL300020193726	1	36	-1.0	-42.24	320.69	4.44	-37.80
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020193727	0	46	-1.0	-47.94	364.65	4.00	-43.94
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020193727	1	46	-1.0	-47.89	364.72	4.02	-43.87
O=C(CC1=C(Br)C(=O)NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193728	0	33	-1.0	-52.49	302.62	2.17	-50.32
O=C(CC1=C(Br)C(=O)NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193728	1	33	-1.0	-52.49	302.70	2.19	-50.30
COC1=CC=CC(C(C)CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193729	0	49	-1.0	-45.58	388.91	6.77	-38.81
COC1=CC=CC(C(C)CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193729	1	49	-1.0	-45.57	388.98	6.78	-38.79
CC1=CC(F)=CC(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=N2)=C1	REAL300020193730	0	39	-1.0	-41.58	338.13	4.64	-36.94
CC1=CC(F)=CC(N2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=N2)=C1	REAL300020193730	1	39	-1.0	-41.60	338.06	4.63	-36.97
CC1=NC2=C(CCCC2C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020193731	0	39	-1.0	-49.41	326.34	4.27	-45.14
CC1=NC2=C(CCCC2C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020193731	1	39	-1.0	-49.42	326.41	4.30	-45.12
O=C(C1=CC(C2=CC=C(Cl)C=C2)=CN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193732	0	38	-1.0	-45.80	332.12	6.03	-39.77
O=C(C1=CC(C2=CC=C(Cl)C=C2)=CN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193732	1	38	-1.0	-45.79	332.19	6.03	-39.76
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=CC(C)=C(C)C=C21	REAL300020193733	0	42	-1.0	-42.05	342.86	6.98	-35.07
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=CC(C)=C(C)C=C21	REAL300020193733	1	42	-1.0	-42.02	342.93	6.98	-35.04
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL300020193734	0	40	-1.0	-42.36	329.32	6.23	-36.13
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL300020193734	1	40	-1.0	-42.36	329.40	6.24	-36.12
O=C(C1CC(=O)NC2=CC=C(Br)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020193735	0	38	-1.0	-48.73	337.48	3.51	-45.22
O=C(C1CC(=O)NC2=CC=C(Br)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020193735	1	38	-1.0	-48.78	337.55	3.53	-45.25
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(C)=C1	REAL300020193736	0	49	-1.0	-44.70	390.39	7.36	-37.34
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(C)=C1	REAL300020193736	1	49	-1.0	-44.73	390.47	7.37	-37.36
O=C(CC1CC(C2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193737	0	43	-1.0	-44.07	345.45	7.35	-36.72
O=C(CC1CC(C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193737	1	43	-1.0	-44.08	345.52	7.35	-36.73
CSC1=C(F)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193738	0	34	-1.0	-46.66	302.03	4.80	-41.86
CSC1=C(F)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193738	1	34	-1.0	-46.73	302.11	4.81	-41.92
CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1CC1=CC=CC=C1	REAL300020193739	0	43	-1.0	-46.03	342.94	5.41	-40.62
CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1CC1=CC=CC=C1	REAL300020193739	1	43	-1.0	-46.05	343.01	5.42	-40.63
C[C@H](OC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193740	0	37	-1.0	-37.06	324.22	5.67	-31.39
C[C@H](OC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193740	1	37	-1.0	-37.10	324.30	5.67	-31.43
CC(C)(C)OC(=O)NC(CCC(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193741	0	49	-1.0	-36.56	397.56	3.24	-33.32
CC(C)(C)OC(=O)NC(CCC(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193741	1	49	-1.0	-36.58	397.63	3.25	-33.33
O=C(C1=CC(S(=O)(=O)C2CCCC2)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193742	0	46	-1.0	-48.50	383.52	4.14	-44.36
O=C(C1=CC(S(=O)(=O)C2CCCC2)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193742	1	46	-1.0	-48.48	383.59	4.15	-44.33
CC1=NOC(C)=C1C(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193743	0	41	-1.0	-41.25	313.07	3.82	-37.43
CC1=NOC(C)=C1C(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193743	1	41	-1.0	-41.31	313.15	3.83	-37.48
O=C(C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193744	0	37	-1.0	-46.30	344.74	7.68	-38.62
O=C(C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193744	1	37	-1.0	-46.27	344.66	7.67	-38.60
CC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193745	0	53	-1.0	-39.44	424.28	5.53	-33.91
CC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193745	1	53	-1.0	-39.45	424.35	5.54	-33.91
COC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1O	REAL300020193746	0	42	-1.0	-49.93	350.21	1.77	-48.16
COC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1O	REAL300020193746	1	42	-1.0	-49.95	350.28	1.78	-48.17
O=C(C1CCC(C(F)(F)F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193747	0	39	-1.0	-42.38	318.52	5.08	-37.30
O=C(C1CCC(C(F)(F)F)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193747	1	39	-1.0	-42.43	318.59	5.09	-37.34
CC(=O)NC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193748	0	40	-1.0	-47.73	333.63	3.86	-43.87
CC(=O)NC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193748	1	40	-1.0	-47.74	333.71	3.86	-43.88
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1CC1	REAL300020193749	0	41	-1.0	-44.76	327.33	5.01	-39.75
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1CC1	REAL300020193749	1	41	-1.0	-44.71	327.40	5.02	-39.69
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCCO	REAL300020193750	0	42	-1.0	-46.57	341.88	0.61	-45.96
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCCO	REAL300020193750	1	42	-1.0	-46.60	341.95	0.63	-45.97
O=C(C1=CC=C(F)C2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020193751	0	36	-1.0	-42.81	303.41	5.99	-36.82
O=C(C1=CC=C(F)C2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020193751	1	36	-1.0	-42.86	303.48	6.00	-36.86
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=COC=C2)=N1	REAL300020193752	0	37	-1.0	-49.14	311.24	3.10	-46.04
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=COC=C2)=N1	REAL300020193752	1	37	-1.0	-49.08	311.17	3.10	-45.98
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193753	0	43	-1.0	-51.94	335.43	4.18	-47.76
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193753	1	43	-1.0	-51.93	335.50	4.18	-47.75
COC(CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193754	0	50	-1.0	-52.65	395.28	2.42	-50.23
COC(CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193754	1	50	-1.0	-52.65	395.35	2.43	-50.22
O=C(C1=NN(C2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193755	0	36	-1.0	-45.57	309.57	3.62	-41.95
O=C(C1=NN(C2=CC=NC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193755	1	36	-1.0	-45.56	309.64	3.62	-41.94
CN(CCO)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193756	0	45	-1.0	-50.14	375.40	0.19	-49.95
CN(CCO)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193756	1	45	-1.0	-50.16	375.48	0.21	-49.95
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(S(N)(=O)=O)O1	REAL300020193757	0	35	-1.0	-46.58	309.62	-2.47	-49.05
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(S(N)(=O)=O)O1	REAL300020193757	1	35	-1.0	-46.60	309.70	-2.47	-49.07
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=C(Cl)C=C2Cl)=NO1	REAL300020193758	0	39	-1.0	-40.26	370.17	6.90	-33.36
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=C(Cl)C=C2Cl)=NO1	REAL300020193758	1	39	-1.0	-40.25	370.10	6.90	-33.35
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=C(Cl)C(Cl)=C2)=NO1	REAL300020193759	0	39	-1.0	-39.91	364.86	6.96	-32.95
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=C(Cl)C(Cl)=C2)=NO1	REAL300020193759	1	39	-1.0	-39.93	364.79	6.95	-32.98
CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CN=C1	REAL300020193760	0	41	-1.0	-46.93	329.68	4.47	-42.46
CC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CN=C1	REAL300020193760	1	41	-1.0	-46.95	329.60	4.47	-42.48
CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193761	0	50	-1.0	-41.19	397.58	4.46	-36.73
CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193761	1	50	-1.0	-41.21	397.65	4.47	-36.74
CC1=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020193762	0	39	-1.0	-48.47	333.83	5.88	-42.59
CC1=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020193762	1	39	-1.0	-48.43	333.90	5.89	-42.54
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC(Cl)=C2Cl)=NO1	REAL300020193763	0	39	-1.0	-40.91	361.30	6.77	-34.14
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC(Cl)=C2Cl)=NO1	REAL300020193763	1	39	-1.0	-40.93	361.23	6.77	-34.16
CC1=CC=CN=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193764	0	35	-1.0	-44.45	296.18	4.06	-40.39
CC1=CC=CN=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193764	1	35	-1.0	-44.46	296.11	4.06	-40.40
CSC1=CC=CC(F)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193765	0	34	-1.0	-49.07	305.23	4.89	-44.18
CSC1=CC=CC(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193765	1	34	-1.0	-49.10	305.30	4.90	-44.20
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020193766	0	40	-2.0	-110.58	345.97	4.08	-106.50
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020193766	1	40	-2.0	-110.62	346.05	4.08	-106.54
CC(C)CC(=O)NC(CC(N)=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193767	0	46	-1.0	-48.56	364.96	0.51	-48.05
CC(C)CC(=O)NC(CC(N)=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193767	1	46	-1.0	-48.57	365.03	0.52	-48.05
C[Si](C)(C)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193768	0	45	-1.0	-46.16	373.62	9.26	-36.90
C[Si](C)(C)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193768	1	45	-1.0	-46.19	373.69	9.27	-36.92
COC(=O)[C@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020193769	0	42	-1.0	-44.12	336.59	4.81	-39.31
COC(=O)[C@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020193769	1	42	-1.0	-44.14	336.66	4.83	-39.31
O=C(C1=CC=C(Br)C2=C1OCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020193770	0	38	-1.0	-44.77	325.17	5.67	-39.10
O=C(C1=CC=C(Br)C2=C1OCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020193770	1	38	-1.0	-44.73	325.24	5.67	-39.06
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193771	0	34	-1.0	-41.01	317.43	5.85	-35.16
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193771	1	34	-1.0	-40.97	317.50	5.87	-35.10
CC1=NC(CN2N=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C)=NO1	REAL300020193772	0	40	-1.0	-45.97	343.88	0.45	-45.52
CC1=NC(CN2N=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C)=NO1	REAL300020193772	1	40	-1.0	-45.99	343.96	0.46	-45.53
CC1=NC(CN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=N2)=NO1	REAL300020193773	0	37	-1.0	-47.58	327.01	-0.12	-47.70
CC1=NC(CN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=N2)=NO1	REAL300020193773	1	37	-1.0	-47.63	327.08	-0.12	-47.75
CCSC1=NC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193774	0	35	-1.0	-45.04	304.51	3.01	-42.03
CCSC1=NC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193774	1	35	-1.0	-45.04	304.44	2.99	-42.05
CCC1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020193775	0	33	-1.0	-40.38	294.62	2.46	-37.92
CCC1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020193775	1	33	-1.0	-40.39	294.69	2.47	-37.92
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1CC1=CC=C(F)C=C1	REAL300020193776	0	45	-1.0	-44.88	375.80	5.54	-39.34
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1CC1=CC=C(F)C=C1	REAL300020193776	1	45	-1.0	-44.85	375.88	5.55	-39.30
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020193777	0	46	-2.0	-107.17	381.51	5.34	-101.83
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020193777	1	46	-2.0	-107.18	381.58	5.36	-101.82
O=C(CC1=CC=CN=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020193778	0	32	-1.0	-47.92	293.60	3.37	-44.55
O=C(CC1=CC=CN=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020193778	1	32	-1.0	-47.91	293.52	3.36	-44.55
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=CC2=CC=CC=C2C1=O	REAL300020193779	0	42	-1.0	-43.03	344.31	5.70	-37.33
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=CC2=CC=CC=C2C1=O	REAL300020193779	1	42	-1.0	-43.04	344.38	5.71	-37.33
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COC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193785	1	46	-1.0	-46.16	373.69	7.40	-38.76
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CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC(F)=CC=C21	REAL300020193787	1	37	-1.0	-53.35	311.22	5.41	-47.94
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CN1N=CC2=C1CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)CC2	REAL300020193796	0	40	-1.0	-44.48	321.33	3.92	-40.56
CN1N=CC2=C1CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)CC2	REAL300020193796	1	40	-1.0	-44.55	321.40	3.94	-40.61
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CS(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193797	1	38	-1.0	-54.29	333.03	3.37	-50.92
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CCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=N1	REAL300020193798	1	36	-1.0	-49.75	310.90	3.27	-46.48
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CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1CC1=CC=C(F)C=C1	REAL300020193801	0	42	-1.0	-44.78	354.23	4.82	-39.96
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1CC1=CC=C(F)C=C1	REAL300020193801	1	42	-1.0	-44.78	354.31	4.84	-39.94
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O=C(C1=CC=CC2=C1NC1=CC=CC=C1C2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193802	1	42	-1.0	-45.11	349.10	5.92	-39.19
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193803	0	56	0.0	-68.42	429.65	9.58	-58.84
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193803	1	56	0.0	-65.68	429.41	9.53	-56.15
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193803	1	56	0.0	-68.44	429.72	9.58	-58.86
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193803	1	56	0.0	-65.64	429.48	9.54	-56.10
CC(C)N1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193803	1	55	-1.0	-47.75	424.43	7.17	-40.58
CC(C)N1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193803	1	55	-1.0	-47.76	424.51	7.19	-40.57
O=C(C1=CC=C(N2C(=O)CCC2=O)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193804	0	42	-1.0	-55.91	360.19	5.25	-50.66
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O=C(C1=CC=CC(CN2C=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193805	0	40	-1.0	-50.31	333.33	6.82	-43.49
O=C(C1=CC=CC(CN2C=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193805	1	40	-1.0	-50.33	333.40	6.83	-43.50
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193806	0	39	-1.0	-57.98	335.69	5.15	-52.83
CCOC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193806	1	39	-1.0	-57.99	335.76	5.15	-52.84
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193807	0	34	-1.0	-42.57	298.72	2.48	-40.09
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193807	1	34	-1.0	-42.58	298.79	2.49	-40.09
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)S(C)(=O)=O	REAL300020193808	0	38	-1.0	-47.18	313.48	0.37	-46.81
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)S(C)(=O)=O	REAL300020193808	1	38	-1.0	-47.18	313.55	0.38	-46.80
CCOC1=NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020193809	0	40	-1.0	-43.98	330.19	0.94	-43.04
CCOC1=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020193809	1	40	-1.0	-43.99	330.26	0.96	-43.03
O=C(C1=C(Br)OC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193810	0	27	-1.0	-43.80	252.14	2.38	-41.42
O=C(C1=C(Br)OC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193810	1	27	-1.0	-43.84	252.22	2.40	-41.44
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Br	REAL300020193811	0	39	-1.0	-44.23	314.31	5.36	-38.87
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Br	REAL300020193811	1	39	-1.0	-44.24	314.39	5.37	-38.87
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Br)=C2)CC(=O)C1	REAL300020193812	0	39	-1.0	-49.70	338.29	5.61	-44.09
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Br)=C2)CC(=O)C1	REAL300020193812	1	39	-1.0	-49.68	338.37	5.63	-44.05
O=C(C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020193813	0	41	-1.0	-51.33	354.09	6.42	-44.91
O=C(C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020193813	1	41	-1.0	-51.29	354.01	6.41	-44.88
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193814	0	41	-1.0	-42.66	353.96	5.88	-36.78
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193814	1	41	-1.0	-42.63	354.03	5.88	-36.75
N#CC1=CC=CC(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020193815	0	37	-1.0	-43.14	332.83	5.32	-37.82
N#CC1=CC=CC(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020193815	1	37	-1.0	-43.17	332.76	5.31	-37.86
CC1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020193816	0	33	-1.0	-45.74	304.31	5.06	-40.68
CC1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020193816	1	33	-1.0	-45.76	304.38	5.06	-40.70
O=C(C1CCCN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193817	0	42	-1.0	-46.45	327.24	4.39	-42.06
O=C(C1CCCN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193817	1	42	-1.0	-46.45	327.31	4.39	-42.06
O=C(C1=C(F)C=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193818	0	30	-1.0	-44.90	292.95	4.61	-40.29
O=C(C1=C(F)C=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193818	1	30	-1.0	-44.90	293.02	4.62	-40.28
O=C(CC1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193819	0	44	-1.0	-54.08	358.06	5.88	-48.20
O=C(CC1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193819	1	44	-1.0	-54.07	358.13	5.89	-48.18
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1Cl	REAL300020193820	0	33	-1.0	-46.17	294.65	4.87	-41.30
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1Cl	REAL300020193820	1	33	-1.0	-46.21	294.72	4.87	-41.34
CC1=NN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=CC=CC=C1	REAL300020193821	0	43	-1.0	-51.90	360.31	6.29	-45.61
CC1=NN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=CC=CC=C1	REAL300020193821	1	43	-1.0	-51.93	360.39	6.30	-45.63
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193822	0	43	-1.0	-40.20	348.13	7.35	-32.85
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193822	1	43	-1.0	-40.22	348.20	7.36	-32.86
COC1=CC=C(C2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1OC	REAL300020193823	0	44	-1.0	-45.22	375.79	3.89	-41.33
COC1=CC=C(C2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1OC	REAL300020193823	1	44	-1.0	-45.20	375.71	3.89	-41.31
O=C(OCC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020193824	0	48	-1.0	-45.70	393.47	5.88	-39.82
O=C(OCC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020193824	1	48	-1.0	-45.68	393.55	5.88	-39.80
O=C(C1=CC=C(N2N=CC3=CC=CC=C32)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020193825	0	43	-1.0	-45.70	372.17	7.47	-38.23
O=C(C1=CC=C(N2N=CC3=CC=CC=C32)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020193825	1	43	-1.0	-45.70	372.10	7.47	-38.23
O=C(C1=CC2=NC=CN=C2C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193826	0	34	-1.0	-47.25	296.16	2.21	-45.04
O=C(C1=CC2=NC=CN=C2C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193826	1	34	-1.0	-47.23	296.09	2.21	-45.02
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1CC1CCCC1	REAL300020193827	0	45	-1.0	-42.92	349.63	4.26	-38.66
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1CC1CCCC1	REAL300020193827	1	45	-1.0	-42.90	349.70	4.27	-38.63
O=C(C1=CC=C(OC2CCOC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193828	0	42	-1.0	-45.03	335.36	3.21	-41.82
O=C(C1=CC=C(OC2CCOC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193828	1	42	-1.0	-45.00	335.44	3.22	-41.78
CC(C)(C)C(=O)NC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020193829	0	52	-1.0	-40.01	395.27	4.94	-35.07
CC(C)(C)C(=O)NC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020193829	1	52	-1.0	-39.98	395.34	4.96	-35.02
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=C(Cl)S2)=N1	REAL300020193830	0	37	-1.0	-47.35	337.19	4.77	-42.58
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=C(Cl)S2)=N1	REAL300020193830	1	37	-1.0	-47.37	337.12	4.77	-42.60
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC(F)F)=C1	REAL300020193831	0	38	-1.0	-46.61	321.79	3.42	-43.19
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC(F)F)=C1	REAL300020193831	1	38	-1.0	-46.57	321.86	3.42	-43.15
CC(C)NC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020193832	0	51	-1.0	-52.51	380.30	3.27	-49.24
CC(C)NC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020193832	1	51	-1.0	-52.53	380.37	3.27	-49.26
O=C(C1=CC=CC=C1)C1=CC(F)=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193833	0	42	-1.0	-44.98	365.80	7.09	-37.89
O=C(C1=CC=CC=C1)C1=CC(F)=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193833	1	42	-1.0	-44.97	365.87	7.10	-37.87
O=C(C1=CC([N+](=O)[O-])=CC=C1SC1=NNC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193834	0	39	-1.0	-47.91	358.43	5.64	-42.27
O=C(C1=CC([N+](=O)[O-])=CC=C1SC1=NNC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193834	1	39	-1.0	-47.98	358.50	5.65	-42.33
CC(C)(C)C1=CC=C(C(O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193835	0	52	-1.0	-44.15	407.13	5.53	-38.62
CC(C)(C)C1=CC=C(C(O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193835	1	52	-1.0	-44.19	407.20	5.54	-38.65
O=C(C1=CC=C(N2C=CN=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193836	0	36	-1.0	-44.85	305.69	5.14	-39.71
O=C(C1=CC=C(N2C=CN=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193836	1	36	-1.0	-44.83	305.76	5.15	-39.68
CC1=CC=CC(Cl)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193837	0	36	-1.0	-44.41	311.80	5.71	-38.70
CC1=CC=CC(Cl)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193837	1	36	-1.0	-44.39	311.88	5.72	-38.67
CN(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CN=CN1C	REAL300020193838	0	41	-1.0	-41.97	327.86	3.09	-38.88
CN(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CN=CN1C	REAL300020193838	1	41	-1.0	-41.98	327.93	3.11	-38.87
CCNC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193839	0	38	-1.0	-40.96	324.20	4.08	-36.88
CCNC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193839	1	38	-1.0	-40.98	324.27	4.08	-36.90
O=C(C1=CC(F)=CC=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193840	0	37	-1.0	-50.09	315.37	5.46	-44.63
O=C(C1=CC(F)=CC=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193840	1	37	-1.0	-50.16	315.29	5.46	-44.70
O=C(C1CCC(=O)C2=CC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020193841	0	37	-1.0	-44.03	305.00	4.02	-40.01
O=C(C1CCC(=O)C2=CC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020193841	1	37	-1.0	-44.09	305.07	4.03	-40.06
CC1(C)COC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020193842	0	41	-1.0	-48.26	331.12	4.74	-43.52
CC1(C)COC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020193842	1	41	-1.0	-48.26	331.19	4.76	-43.50
O=C(CC1=CC=CC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020193843	0	33	-1.0	-44.70	310.14	5.65	-39.05
O=C(CC1=CC=CC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020193843	1	33	-1.0	-44.70	310.21	5.66	-39.04
CC1=CC=CC=C1N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(C)C	REAL300020193844	0	49	-1.0	-43.13	376.99	7.35	-35.78
CC1=CC=CC=C1N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(C)C	REAL300020193844	1	49	-1.0	-43.10	377.06	7.37	-35.73
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020193845	0	49	-1.0	-49.70	396.33	3.37	-46.33
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020193845	1	49	-1.0	-49.67	396.41	3.38	-46.29
CCOC1=CC=C(C2=NC(CC)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020193846	0	49	-1.0	-42.20	407.01	6.22	-35.98
CCOC1=CC=C(C2=NC(CC)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020193846	1	49	-1.0	-42.19	406.93	6.22	-35.97
O=C(CC1=CSC2=CC=C(Br)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020193847	0	36	-1.0	-44.91	338.32	6.74	-38.17
O=C(CC1=CSC2=CC=C(Br)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020193847	1	36	-1.0	-44.92	338.40	6.75	-38.17
O=C(C1=CC(C2CC2)=CN=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020193848	0	36	-1.0	-42.91	312.71	4.44	-38.47
O=C(C1=CC(C2CC2)=CN=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020193848	1	36	-1.0	-42.87	312.64	4.44	-38.43
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(SC(F)F)=N1	REAL300020193849	0	36	-1.0	-48.49	339.81	4.29	-44.20
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(SC(F)F)=N1	REAL300020193849	1	36	-1.0	-48.49	339.89	4.29	-44.20
O=C(C1=CC=CN=C1OCC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193850	0	43	-1.0	-49.11	365.86	5.23	-43.88
O=C(C1=CC=CN=C1OCC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193850	1	43	-1.0	-49.09	365.79	5.21	-43.88
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1CC1=CC=C(F)C=C1F	REAL300020193851	0	42	-1.0	-46.97	361.39	4.89	-42.08
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1CC1=CC=C(F)C=C1F	REAL300020193851	1	42	-1.0	-46.97	361.46	4.91	-42.06
NC(=O)C1=CC=CC=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193852	0	40	-1.0	-50.34	327.79	2.27	-48.07
NC(=O)C1=CC=CC=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193852	1	40	-1.0	-50.33	327.87	2.28	-48.05
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2CCCCC2)CCCCC1	REAL300020193853	0	52	-1.0	-43.52	354.91	6.82	-36.70
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2CCCCC2)CCCCC1	REAL300020193853	1	52	-1.0	-43.55	354.99	6.82	-36.73
O=C(CN1C=CC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193854	0	39	-1.0	-54.82	331.25	5.63	-49.19
O=C(CN1C=CC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193854	1	39	-1.0	-54.79	331.32	5.64	-49.15
O=C(CC1=CC=C(I)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193855	0	33	-1.0	-43.70	308.50	5.88	-37.82
O=C(CC1=CC=C(I)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193855	1	33	-1.0	-43.70	308.57	5.88	-37.82
NC(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193856	0	37	-1.0	-50.10	315.26	1.56	-48.54
NC(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193856	1	37	-1.0	-50.06	315.34	1.56	-48.50
CC1=CC=CC2=C1C(C)CC2CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193857	0	46	-1.0	-42.64	356.69	7.54	-35.10
CC1=CC=CC2=C1C(C)CC2CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193857	1	46	-1.0	-42.60	356.76	7.55	-35.05
O=C(C=CC1=CC=CC=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193858	0	41	-1.0	-52.07	347.54	6.70	-45.37
O=C(C=CC1=CC=CC=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193858	1	41	-1.0	-52.11	347.46	6.69	-45.42
O=C(CCOCC(F)(F)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193859	0	36	-1.0	-44.31	320.40	3.31	-41.00
O=C(CCOCC(F)(F)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193859	1	36	-1.0	-44.29	320.47	3.32	-40.97
CC(O)(CN1C=C(C(F)(F)F)C=CC1=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193860	0	43	-1.0	-42.86	361.40	2.86	-40.00
CC(O)(CN1C=C(C(F)(F)F)C=CC1=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193860	1	43	-1.0	-42.83	361.48	2.86	-39.97
CC(C)(C)CC(CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193861	0	58	-1.0	-47.09	412.88	5.30	-41.79
CC(C)(C)CC(CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193861	1	58	-1.0	-47.07	412.96	5.31	-41.76
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193862	0	35	-1.0	-54.82	304.13	5.40	-49.42
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193862	1	35	-1.0	-54.82	304.20	5.41	-49.41
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCC(O)CC1	REAL300020193863	0	46	-1.0	-44.91	327.98	1.94	-42.97
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCC(O)CC1	REAL300020193863	1	46	-1.0	-44.98	328.05	1.94	-43.04
O=C(C1CCCC2=C(O)C=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020193864	0	41	-1.0	-45.78	327.36	3.37	-42.41
O=C(C1CCCC2=C(O)C=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020193864	1	41	-1.0	-45.78	327.43	3.38	-42.40
COCCOC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020193865	0	47	-1.0	-41.44	358.60	3.10	-38.34
COCCOC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020193865	1	47	-1.0	-41.43	358.68	3.11	-38.32
COC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=C(F)C=C1	REAL300020193866	0	38	-1.0	-43.43	320.34	3.46	-39.97
COC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=C(F)C=C1	REAL300020193866	1	38	-1.0	-43.45	320.41	3.47	-39.98
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N2C=C(Br)C=CC2=N1	REAL300020193867	0	36	-1.0	-42.15	329.15	5.46	-36.69
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N2C=C(Br)C=CC2=N1	REAL300020193867	1	36	-1.0	-42.16	329.23	5.48	-36.68
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2C)=NO1	REAL300020193868	0	42	-1.0	-43.53	348.99	6.54	-36.99
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2C)=NO1	REAL300020193868	1	42	-1.0	-43.55	349.06	6.54	-37.01
CC1=C(C(C)C)N=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020193869	0	41	-1.0	-46.95	349.49	4.56	-42.39
CC1=C(C(C)C)N=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020193869	1	41	-1.0	-46.97	349.56	4.58	-42.39
O=C(C1=CN=C2NC=C(Br)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020193870	0	33	-1.0	-52.76	299.25	3.52	-49.24
O=C(C1=CN=C2NC=C(Br)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020193870	1	33	-1.0	-52.77	299.32	3.53	-49.24
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193871	0	50	-1.0	-54.45	387.04	5.10	-49.35
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193871	1	50	-1.0	-54.46	387.11	5.11	-49.35
CC1=CC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1I	REAL300020193872	0	36	-1.0	-41.00	317.99	5.97	-35.03
CC1=CC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1I	REAL300020193872	1	36	-1.0	-41.03	318.07	5.97	-35.06
O=C(C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193873	0	42	-1.0	-46.39	352.59	4.34	-42.05
O=C(C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193873	1	42	-1.0	-46.35	352.51	4.32	-42.03
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193874	0	39	-1.0	-49.95	341.47	5.70	-44.25
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193874	1	39	-1.0	-49.96	341.55	5.71	-44.25
CC1=NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2N1C	REAL300020193875	0	39	-1.0	-47.84	318.59	4.69	-43.15
CC1=NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2N1C	REAL300020193875	1	39	-1.0	-47.84	318.66	4.70	-43.14
CC(C)(C#N)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193876	0	40	-1.0	-48.29	326.46	5.52	-42.77
CC(C)(C#N)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193876	1	40	-1.0	-48.29	326.53	5.54	-42.75
CC(C)(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020193877	0	48	-1.0	-41.25	343.33	6.38	-34.87
CC(C)(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020193877	1	48	-1.0	-41.25	343.41	6.39	-34.86
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193878	0	49	0.0	-73.97	369.95	7.32	-66.65
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193878	1	49	0.0	-74.00	370.02	7.34	-66.66
CC(C)(C)OC(=O)N1CC2(CC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020193879	0	48	-1.0	-46.78	385.00	4.71	-42.07
CC(C)(C)OC(=O)N1CC2(CC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020193879	1	48	-1.0	-46.80	385.08	4.71	-42.09
CN1N=C(C(F)F)C2=C1SC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020193880	0	36	-1.0	-45.31	326.90	3.69	-41.62
CN1N=C(C(F)F)C2=C1SC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020193880	1	36	-1.0	-45.32	326.97	3.69	-41.63
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193881	0	43	-1.0	-48.70	348.49	7.30	-41.40
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193881	1	43	-1.0	-48.70	348.57	7.31	-41.39
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193882	0	43	-1.0	-48.91	332.90	2.08	-46.83
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193882	1	43	-1.0	-48.93	332.97	2.10	-46.83
CC(C)CN1C=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020193883	0	46	-1.0	-47.61	363.28	7.38	-40.23
CC(C)CN1C=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020193883	1	46	-1.0	-47.60	363.35	7.40	-40.20
O=C(C1=CC2=CC=CC=C2C(=O)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193884	0	35	-1.0	-43.25	302.83	5.24	-38.01
O=C(C1=CC2=CC=CC=C2C(=O)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193884	1	35	-1.0	-43.29	302.90	5.25	-38.04
O=C(C1=C(C(F)(F)F)SC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193885	0	29	-1.0	-45.92	283.85	2.00	-43.92
O=C(C1=C(C(F)(F)F)SC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193885	1	29	-1.0	-45.95	283.78	1.98	-43.97
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193886	0	43	-1.0	-44.87	365.62	5.53	-39.34
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193886	1	43	-1.0	-44.86	365.69	5.55	-39.31
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020193887	0	43	-1.0	-43.49	347.39	5.36	-38.13
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020193887	1	43	-1.0	-43.52	347.47	5.36	-38.16
N#CC1=CC=C(CC(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193888	0	38	-1.0	-45.93	337.32	5.76	-40.17
N#CC1=CC=C(CC(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193888	1	38	-1.0	-46.01	337.40	5.77	-40.24
O=C(C1=NN(C2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193889	0	43	-1.0	-43.97	340.41	5.23	-38.74
O=C(C1=NN(C2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193889	1	43	-1.0	-43.94	340.34	5.23	-38.71
COC1=CC=C(OC)C(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)=C1	REAL300020193890	0	46	-1.0	-52.38	378.20	4.18	-48.20
COC1=CC=C(OC)C(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)=C1	REAL300020193890	1	46	-1.0	-52.40	378.27	4.19	-48.21
COC1=CC=CC(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)=C1	REAL300020193891	0	42	-1.0	-55.80	349.98	4.58	-51.22
COC1=CC=CC(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)=C1	REAL300020193891	1	42	-1.0	-55.78	350.05	4.59	-51.19
O=C(CCSCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193892	0	40	-1.0	-42.34	346.82	6.94	-35.40
O=C(CCSCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193892	1	40	-1.0	-42.41	346.90	6.95	-35.46
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(SC(F)(F)F)=N1	REAL300020193893	0	36	-1.0	-45.52	346.39	4.49	-41.03
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(SC(F)(F)F)=N1	REAL300020193893	1	36	-1.0	-45.56	346.47	4.49	-41.07
O=C(CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020193894	0	35	-1.0	-44.97	326.63	5.78	-39.19
O=C(CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020193894	1	35	-1.0	-44.94	326.70	5.79	-39.15
CC(C)(C)OC(=O)NC1=CC=CC=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193895	0	53	-1.0	-45.22	419.08	6.01	-39.21
CC(C)(C)OC(=O)NC1=CC=CC=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193895	1	53	-1.0	-45.23	419.16	6.02	-39.21
CC1=CSC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020193896	0	30	-1.0	-42.69	279.44	3.95	-38.74
CC1=CSC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020193896	1	30	-1.0	-42.68	279.51	3.96	-38.72
CCCOC1=NC(C)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193897	0	42	-1.0	-46.93	345.14	3.58	-43.35
CCCOC1=NC(C)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193897	1	42	-1.0	-46.94	345.22	3.59	-43.35
CCOC1=NC(C)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193898	0	39	-1.0	-47.51	323.69	2.71	-44.80
CCOC1=NC(C)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193898	1	39	-1.0	-47.50	323.76	2.72	-44.78
O=C(C1=NC(Br)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193899	0	29	-1.0	-43.93	275.75	3.33	-40.60
O=C(C1=NC(Br)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193899	1	29	-1.0	-43.97	275.67	3.32	-40.65
O=C(C1=NC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020193900	0	29	-1.0	-44.53	266.00	3.37	-41.16
O=C(C1=NC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020193900	1	29	-1.0	-44.55	265.93	3.37	-41.18
O=C(C1=CC=C(C2=NOC(C(F)F)=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193901	0	38	-1.0	-46.84	335.50	3.17	-43.67
O=C(C1=CC=C(C2=NOC(C(F)F)=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193901	1	38	-1.0	-46.85	335.42	3.16	-43.69
CC(C)(C)OC(=O)C1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020193902	0	43	-1.0	-46.60	352.81	4.31	-42.29
CC(C)(C)OC(=O)C1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020193902	1	43	-1.0	-46.62	352.89	4.33	-42.29
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193903	0	50	-1.0	-47.40	393.80	4.57	-42.83
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193903	1	50	-1.0	-47.39	393.87	4.58	-42.81
O=C(CC1=CC=CC(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193904	0	36	-1.0	-44.58	312.90	5.62	-38.96
O=C(CC1=CC=CC(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193904	1	36	-1.0	-44.57	312.98	5.64	-38.93
C=CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020193905	0	54	-1.0	-52.13	398.26	5.99	-46.14
C=CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020193905	1	54	-1.0	-52.12	398.33	6.01	-46.11
O=C(C1CC(C2=CC=CN=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193906	0	37	-1.0	-50.58	315.97	3.56	-47.02
O=C(C1CC(C2=CC=CN=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193906	1	37	-1.0	-50.55	315.89	3.53	-47.02
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193907	0	46	0.0	-73.78	353.20	6.61	-67.17
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193907	1	46	0.0	-73.84	353.28	6.63	-67.21
O=C(C1=CC(Br)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193908	0	27	-1.0	-39.45	254.23	1.03	-38.42
O=C(C1=CC(Br)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193908	1	27	-1.0	-39.48	254.31	1.04	-38.44
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020193909	0	55	-1.0	-48.12	421.78	1.99	-46.13
CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020193909	1	55	-1.0	-48.16	421.85	1.99	-46.17
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020193909	1	56	0.0	-66.69	424.11	4.17	-62.52
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)C=C1Cl	REAL300020193910	0	36	-1.0	-40.82	307.75	5.43	-35.39
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)C=C1Cl	REAL300020193910	1	36	-1.0	-40.83	307.82	5.43	-35.40
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2Cl)=NO1	REAL300020193911	0	42	-1.0	-41.70	367.60	7.10	-34.60
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2Cl)=NO1	REAL300020193911	1	42	-1.0	-41.65	367.52	7.09	-34.56
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=NO1	REAL300020193912	0	42	-1.0	-41.67	349.65	6.62	-35.05
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=NO1	REAL300020193912	1	42	-1.0	-41.64	349.58	6.60	-35.04
O=C(NC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1)C1CC1	REAL300020193913	0	47	-1.0	-42.53	371.79	4.07	-38.46
O=C(NC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1)C1CC1	REAL300020193913	1	47	-1.0	-42.53	371.86	4.08	-38.45
CN(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)OCC1=CC=CC=C1	REAL300020193914	0	47	-1.0	-46.54	394.02	6.08	-40.46
CN(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)OCC1=CC=CC=C1	REAL300020193914	1	47	-1.0	-46.54	394.10	6.09	-40.45
N#CCC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020193915	0	40	-1.0	-47.18	335.47	6.38	-40.80
N#CCC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020193915	1	40	-1.0	-47.25	335.54	6.39	-40.86
O=C(C1COC2=CC=C(Cl)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020193916	0	35	-1.0	-46.08	310.35	4.22	-41.86
O=C(C1COC2=CC=C(Cl)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020193916	1	35	-1.0	-46.07	310.43	4.22	-41.85
O=C(C1=CC=NN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193917	0	37	-1.0	-45.23	306.91	4.69	-40.54
O=C(C1=CC=NN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193917	1	37	-1.0	-45.20	306.85	4.68	-40.52
CN1C=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020193918	0	38	-1.0	-45.91	327.36	3.25	-42.66
CN1C=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020193918	1	38	-1.0	-45.92	327.44	3.26	-42.66
CN(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193919	0	44	-1.0	-48.67	376.25	2.76	-45.91
CN(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193919	1	44	-1.0	-48.65	376.32	2.77	-45.88
O=C(C1CCN(CC(F)(F)F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193920	0	38	-1.0	-44.69	311.94	1.72	-42.97
O=C(C1CCN(CC(F)(F)F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193920	1	38	-1.0	-44.69	312.02	1.73	-42.96
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193921	0	48	0.0	-72.14	358.09	6.50	-65.64
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193921	1	48	0.0	-72.13	358.16	6.52	-65.61
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300020193922	0	51	-1.0	-48.08	406.98	6.13	-41.95
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300020193922	1	51	-1.0	-48.08	407.05	6.13	-41.95
O=C(COC1=CC=CC(I)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193923	0	34	-1.0	-47.29	317.43	5.79	-41.50
O=C(COC1=CC=CC(I)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193923	1	34	-1.0	-47.31	317.50	5.79	-41.52
CCSCC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193924	0	40	-1.0	-44.00	337.42	6.43	-37.57
CCSCC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193924	1	40	-1.0	-44.07	337.50	6.44	-37.63
O=C(C1=CN=NN1C1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193925	0	36	-1.0	-43.92	307.52	3.48	-40.44
O=C(C1=CN=NN1C1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193925	1	36	-1.0	-43.95	307.46	3.47	-40.48
CS(=O)(=O)CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020193926	0	45	-1.0	-56.61	376.40	3.15	-53.46
CS(=O)(=O)CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020193926	1	45	-1.0	-56.62	376.47	3.16	-53.46
CCCC(CCCS(C)(=O)=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193927	0	47	-1.0	-51.25	378.85	2.50	-48.75
CCCC(CCCS(C)(=O)=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193927	1	47	-1.0	-51.27	378.93	2.51	-48.76
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCC(C)C)=C1	REAL300020193928	0	47	-1.0	-46.71	375.49	5.54	-41.17
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCC(C)C)=C1	REAL300020193928	1	47	-1.0	-46.74	375.56	5.54	-41.20
O=C(C1CC2=CC(Br)=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193929	0	35	-1.0	-45.25	312.84	5.48	-39.77
O=C(C1CC2=CC(Br)=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193929	1	35	-1.0	-45.26	312.91	5.48	-39.78
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CC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020193931	1	37	-1.0	-46.00	311.96	2.58	-43.42
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CC(NC(=O)OC(C)(C)C)C(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193935	0	49	-1.0	-47.64	383.38	3.09	-44.55
CC(NC(=O)OC(C)(C)C)C(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193935	1	49	-1.0	-47.64	383.45	3.11	-44.53
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CCN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020193936	1	43	-1.0	-45.51	345.44	5.52	-39.99
CC(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020193937	0	49	-1.0	-44.03	388.49	3.42	-40.61
CC(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020193937	1	49	-1.0	-44.02	388.56	3.43	-40.59
CCCOC1=CC(OC)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193938	0	44	-1.0	-46.61	355.38	4.87	-41.74
CCCOC1=CC(OC)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193938	1	44	-1.0	-46.64	355.45	4.87	-41.77
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC(C)C)=C1	REAL300020193939	0	44	-1.0	-47.24	352.15	4.62	-42.62
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC(C)C)=C1	REAL300020193939	1	44	-1.0	-47.24	352.23	4.63	-42.61
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1F	REAL300020193940	0	39	-1.0	-45.80	322.20	5.54	-40.26
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1F	REAL300020193940	1	39	-1.0	-45.81	322.28	5.55	-40.26
CCOC(=O)C1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020193941	0	42	-1.0	-51.04	341.34	5.58	-45.46
CCOC(=O)C1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020193941	1	42	-1.0	-51.06	341.41	5.60	-45.46
O=C(C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193942	0	40	-1.0	-45.22	346.40	6.65	-38.57
O=C(C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193942	1	40	-1.0	-45.24	346.47	6.67	-38.57
CC(C)N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020193943	0	46	-1.0	-45.34	366.88	6.23	-39.11
CC(C)N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020193943	1	46	-1.0	-45.43	366.82	6.22	-39.21
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCCOC(C)C)=C1	REAL300020193944	0	51	-1.0	-49.28	409.64	5.08	-44.20
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCCOC(C)C)=C1	REAL300020193944	1	51	-1.0	-49.29	409.71	5.08	-44.21
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193945	0	42	0.0	-52.34	328.46	5.56	-46.78
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193945	1	42	0.0	-52.36	328.54	5.58	-46.78
NC(=O)C1=CC=CC=C1NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193946	0	39	-1.0	-53.07	322.85	0.19	-52.88
NC(=O)C1=CC=CC=C1NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193946	1	39	-1.0	-53.10	322.92	0.20	-52.90
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CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(Br)S1	REAL300020193947	1	29	-1.0	-40.31	278.70	2.82	-37.49
C[NH+](C)CCN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020193948	0	52	0.0	-72.64	403.46	6.83	-65.81
C[NH+](C)CCN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020193948	1	52	0.0	-72.60	403.37	6.82	-65.78
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O=C(C1=CC=CC(C2=NOC(C(F)(F)F)=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193949	1	38	-1.0	-46.31	341.93	3.28	-43.03
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O=C(C1=C(C2CC2)SC(Br)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193950	1	33	-1.0	-41.08	308.85	4.31	-36.77
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COC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193952	0	36	-1.0	-43.90	310.78	4.50	-39.40
COC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193952	1	36	-1.0	-43.92	310.85	4.51	-39.41
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)OCC1=CC=CC=C1	REAL300020193953	0	44	-1.0	-50.21	372.73	5.71	-44.50
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)OCC1=CC=CC=C1	REAL300020193953	1	44	-1.0	-50.27	372.81	5.72	-44.55
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1C	REAL300020193954	0	39	-1.0	-44.20	321.75	4.11	-40.09
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1C	REAL300020193954	1	39	-1.0	-44.22	321.83	4.12	-40.10
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CCOC1=NC=CC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193956	0	39	-1.0	-45.69	328.18	2.18	-43.51
CCOC1=NC=CC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193956	1	39	-1.0	-45.69	328.25	2.18	-43.51
CC(C)(C)N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020193957	0	49	-1.0	-45.51	382.50	6.39	-39.12
CC(C)(C)N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020193957	1	49	-1.0	-45.52	382.43	6.38	-39.14
CC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020193958	0	36	-1.0	-44.22	313.71	5.78	-38.44
CC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020193958	1	36	-1.0	-44.23	313.78	5.78	-38.45
CC(O)(CN1CC2=CC=CC=C2C1=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193959	0	45	-1.0	-47.32	363.16	2.56	-44.76
CC(O)(CN1CC2=CC=CC=C2C1=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193959	1	45	-1.0	-47.34	363.24	2.58	-44.76
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1CCCC1	REAL300020193960	0	46	-1.0	-43.97	357.43	5.51	-38.46
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1CCCC1	REAL300020193960	1	46	-1.0	-43.96	357.51	5.52	-38.44
CCCCS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193961	0	45	-1.0	-49.03	375.02	3.58	-45.45
CCCCS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193961	1	45	-1.0	-49.08	375.10	3.60	-45.48
O=C(C1=CC=C(OCC(F)(F)F)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193962	0	36	-1.0	-44.30	320.64	3.42	-40.88
O=C(C1=CC=C(OCC(F)(F)F)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193962	1	36	-1.0	-44.29	320.57	3.42	-40.87
CC1=C(Br)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1C	REAL300020193963	0	36	-1.0	-52.81	320.29	3.69	-49.12
CC1=C(Br)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1C	REAL300020193963	1	36	-1.0	-52.79	320.36	3.71	-49.08
CC(C)(C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C(F)(F)F	REAL300020193964	0	42	-1.0	-43.18	338.88	6.06	-37.12
CC(C)(C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)(F)F	REAL300020193964	1	42	-1.0	-43.21	338.96	6.08	-37.13
COC1=CC=C(C(=O)CCCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193965	0	51	-1.0	-53.05	416.14	7.07	-45.98
COC1=CC=C(C(=O)CCCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193965	1	51	-1.0	-53.03	416.21	7.07	-45.96
CCN1N=NC2=C1CCC(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020193966	0	42	-1.0	-48.15	337.37	3.50	-44.65
CCN1N=NC2=C1CCC(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020193966	1	42	-1.0	-48.18	337.44	3.51	-44.67
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(Br)=N1	REAL300020193967	0	29	-1.0	-38.55	276.18	2.10	-36.45
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(Br)=N1	REAL300020193967	1	29	-1.0	-38.60	276.25	2.10	-36.50
O=C(C1=C(C(F)(F)F)OC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193968	0	29	-1.0	-43.59	266.40	0.54	-43.05
O=C(C1=C(C(F)(F)F)OC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193968	1	29	-1.0	-43.59	266.33	0.53	-43.06
O=C(C1=CC=C2C(=C1)CCCCC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193969	0	42	-1.0	-45.39	333.04	5.72	-39.67
O=C(C1=CC=C2C(=C1)CCCCC2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193969	1	42	-1.0	-45.45	333.11	5.73	-39.72
O=C(C1=CC=C2OC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193971	0	33	-1.0	-44.43	281.80	1.04	-43.39
O=C(C1=CC=C2OC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193971	1	33	-1.0	-44.45	281.87	1.06	-43.39
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1CC1=CC=NC=C1	REAL300020193972	0	41	-1.0	-46.19	346.26	3.12	-43.07
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1CC1=CC=NC=C1	REAL300020193972	1	41	-1.0	-46.18	346.33	3.12	-43.06
CC1=CC(Br)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020193973	0	33	-1.0	-40.90	308.01	5.42	-35.48
CC1=CC(Br)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020193973	1	33	-1.0	-40.85	308.08	5.42	-35.43
O=C(C1=CC(=O)C2=CC=C(F)C=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193974	0	35	-1.0	-40.26	308.81	4.32	-35.94
O=C(C1=CC(=O)C2=CC=C(F)C=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193974	1	35	-1.0	-40.25	308.89	4.34	-35.91
COCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193975	0	47	-1.0	-43.50	377.05	0.67	-42.83
COCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193975	1	47	-1.0	-43.46	377.12	0.68	-42.78
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193976	0	45	-1.0	-44.53	377.86	5.07	-39.46
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193976	1	45	-1.0	-44.52	377.93	5.08	-39.44
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCOC1	REAL300020193977	0	48	-1.0	-50.58	371.22	1.63	-48.95
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCOC1	REAL300020193977	1	48	-1.0	-50.60	371.29	1.65	-48.95
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193978	0	48	-1.0	-48.89	386.08	3.61	-45.28
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193978	1	48	-1.0	-48.84	386.15	3.63	-45.21
N#CC1=CC(F)=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300020193979	0	38	-1.0	-45.97	330.48	6.06	-39.91
N#CC1=CC(F)=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020193979	1	38	-1.0	-46.00	330.55	6.06	-39.94
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC(F)=CC(C#N)=C1	REAL300020193980	0	40	-1.0	-44.44	328.87	6.23	-38.21
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC(F)=CC(C#N)=C1	REAL300020193980	1	40	-1.0	-44.47	328.94	6.24	-38.23
O=C(C1=CC(Br)=CN=C1OCC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193981	0	40	-1.0	-43.18	355.08	4.36	-38.82
O=C(C1=CC(Br)=CN=C1OCC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193981	1	40	-1.0	-43.15	355.00	4.36	-38.79
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C2=CC=C(Cl)C=C2C#N)CC1	REAL300020193982	0	49	-1.0	-43.16	387.40	5.89	-37.27
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN(C2=CC=C(Cl)C=C2C#N)CC1	REAL300020193982	1	49	-1.0	-43.17	387.48	5.91	-37.26
CC(CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193983	0	46	-1.0	-39.70	364.04	2.19	-37.51
CC(CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193983	1	46	-1.0	-39.64	364.11	2.20	-37.44
O=C(C1=CC=CC2=CC=CC(Br)=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020193984	0	36	-1.0	-46.87	316.02	7.31	-39.56
O=C(C1=CC=CC2=CC=CC(Br)=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020193984	1	36	-1.0	-46.89	316.09	7.33	-39.56
CC(OC1=CC=C(C=O)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193985	0	39	-1.0	-42.17	326.18	4.80	-37.37
CC(OC1=CC=C(C=O)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193985	1	39	-1.0	-42.19	326.26	4.81	-37.38
O=C(C1=CN=C(Cl)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193986	0	29	-1.0	-38.89	281.34	2.79	-36.10
O=C(C1=CN=C(Cl)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193986	1	29	-1.0	-38.93	281.26	2.78	-36.15
O=C(C1=CC=C2OC(=O)NC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193987	0	32	-1.0	-42.05	281.30	1.28	-40.77
O=C(C1=CC=C2OC(=O)NC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193987	1	32	-1.0	-42.05	281.37	1.28	-40.77
CC(C)C1=CC=C2OC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020193988	0	42	-1.0	-47.71	338.94	5.97	-41.74
CC(C)C1=CC=C2OC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020193988	1	42	-1.0	-47.71	339.01	5.97	-41.74
O=C(C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193989	0	45	-1.0	-47.54	369.98	7.87	-39.67
O=C(C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193989	1	45	-1.0	-47.54	369.90	7.86	-39.68
O=C(NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1)C1CC1	REAL300020193990	0	40	-1.0	-47.93	333.60	3.77	-44.16
O=C(NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1)C1CC1	REAL300020193990	1	40	-1.0	-47.95	333.53	3.76	-44.19
O=C(C1=CC=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193991	0	30	-1.0	-39.22	282.78	3.92	-35.30
O=C(C1=CC=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193991	1	30	-1.0	-39.22	282.85	3.92	-35.30
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193992	0	49	0.0	-76.82	386.55	7.67	-69.15
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193992	1	49	0.0	-65.15	377.28	7.57	-57.58
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193992	1	49	0.0	-76.75	386.63	7.68	-69.07
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193992	1	49	0.0	-65.19	377.35	7.57	-57.62
O=C(NC1=CC=CC=C1)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193993	0	44	-1.0	-56.00	362.01	5.57	-50.43
O=C(NC1=CC=CC=C1)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193993	1	44	-1.0	-55.96	362.09	5.57	-50.39
O=C(COC1=CC=C(CO)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193994	0	38	-1.0	-48.88	322.45	2.01	-46.87
O=C(COC1=CC=C(CO)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193994	1	38	-1.0	-48.82	322.53	2.02	-46.80
O=C(C1=C(C(F)(F)F)N=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193995	0	29	-1.0	-45.78	271.66	2.00	-43.78
O=C(C1=C(C(F)(F)F)N=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193995	1	29	-1.0	-45.81	271.58	1.97	-43.84
NS(=O)(=O)CCCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193996	0	40	-1.0	-55.96	341.94	-0.88	-56.84
NS(=O)(=O)CCCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193996	1	40	-1.0	-56.00	342.01	-0.86	-56.86
O=C(C1CSC(C2=CC=CC=C2O)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193997	0	39	-1.0	-47.08	339.19	1.59	-45.49
O=C(C1CSC(C2=CC=CC=C2O)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193997	1	39	-1.0	-47.10	339.27	1.59	-45.51
CN(C)S(=O)(=O)N(C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193998	0	39	-1.0	-54.51	332.27	-0.42	-54.93
CN(C)S(=O)(=O)N(C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193998	1	39	-1.0	-54.51	332.34	-0.41	-54.92
NS(=O)(=O)CCCCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193999	0	43	-1.0	-52.66	363.58	-0.11	-52.77
NS(=O)(=O)CCCCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193999	1	43	-1.0	-52.64	363.66	-0.10	-52.74
CCCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)S(N)(=O)=O	REAL300020194000	0	37	-1.0	-42.47	306.81	-1.60	-44.07
CCCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)S(N)(=O)=O	REAL300020194000	1	37	-1.0	-42.44	306.88	-1.59	-44.03
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194001	0	38	-1.0	-48.49	334.20	-1.79	-50.28
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194001	1	38	-1.0	-48.43	334.27	-1.78	-50.21
COC1=CC2=C(C=C1OC)N(C)C(=O)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020194002	0	46	-1.0	-53.11	375.73	4.09	-49.02
COC1=CC2=C(C=C1OC)N(C)C(=O)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020194002	1	46	-1.0	-53.15	375.66	4.07	-49.08
O=C(C1=CN2C=CC(Br)=CC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194003	0	33	-1.0	-44.01	304.78	5.51	-38.50
O=C(C1=CN2C=CC(Br)=CC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194003	1	33	-1.0	-44.04	304.71	5.50	-38.54
CNS(=O)(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194004	0	43	-1.0	-52.47	352.01	-0.79	-53.26
CNS(=O)(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194004	1	43	-1.0	-52.47	352.09	-0.78	-53.25
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194005	0	49	0.0	-56.26	377.35	7.52	-48.74
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194005	1	49	0.0	-56.24	377.43	7.53	-48.71
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194006	0	47	-1.0	-50.79	374.95	4.43	-46.36
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194006	1	47	-1.0	-50.77	375.02	4.44	-46.33
CC1=CC=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(Cl)N=C12	REAL300020194007	0	38	-1.0	-45.15	329.88	5.37	-39.78
CC1=CC=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(Cl)N=C12	REAL300020194007	1	38	-1.0	-45.12	329.81	5.36	-39.76
CS(=O)(=O)C1=NC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020194008	0	34	-1.0	-49.04	307.72	-0.83	-49.87
CS(=O)(=O)C1=NC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020194008	1	34	-1.0	-49.03	307.64	-0.84	-49.87
O=C(C1CCCN(CC(F)F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194009	0	41	-1.0	-46.36	319.56	2.22	-44.14
O=C(C1CCCN(CC(F)F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194009	1	41	-1.0	-46.35	319.64	2.23	-44.12
O=C(C1=CC(Br)=CC2=C1NC(=O)N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194010	0	34	-1.0	-44.56	311.66	1.14	-43.42
O=C(C1=CC(Br)=CC2=C1NC(=O)N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194010	1	34	-1.0	-44.58	311.73	1.14	-43.44
N#CC1=CC=C(N2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)C(F)=C1	REAL300020194011	0	43	-1.0	-51.05	354.32	4.53	-46.52
N#CC1=CC=C(N2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)C(F)=C1	REAL300020194011	1	43	-1.0	-51.08	354.39	4.54	-46.54
NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC(F)(F)F	REAL300020194012	0	36	-1.0	-42.18	306.52	1.25	-40.93
NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC(F)(F)F	REAL300020194012	1	36	-1.0	-42.22	306.60	1.27	-40.95
CC(C)(C)OC(=O)N1CCOCC1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194013	0	51	-1.0	-42.11	388.08	3.08	-39.03
CC(C)(C)OC(=O)N1CCOCC1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194013	1	51	-1.0	-42.08	388.16	3.09	-38.99
N#CC1=CC=C(N2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)C(F)=C1	REAL300020194014	0	46	-1.0	-48.62	381.31	5.81	-42.81
N#CC1=CC=C(N2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)C(F)=C1	REAL300020194014	1	46	-1.0	-48.60	381.38	5.81	-42.79
CC1=CC=NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020194015	0	38	-1.0	-45.43	309.02	4.45	-40.98
CC1=CC=NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020194015	1	38	-1.0	-45.41	309.10	4.47	-40.94
CN1C(=O)C2=CC=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194016	0	39	-1.0	-44.15	328.82	4.68	-39.47
CN1C(=O)C2=CC=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194016	1	39	-1.0	-44.13	328.90	4.68	-39.45
O=C(C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194017	0	40	-1.0	-43.72	349.61	5.80	-37.92
O=C(C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194017	1	40	-1.0	-43.71	349.54	5.80	-37.91
O=C(C=CC1=CC=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194018	0	34	-1.0	-43.88	302.59	5.36	-38.52
O=C(C=CC1=CC=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194018	1	34	-1.0	-43.92	302.66	5.37	-38.55
CCC1=CC=CC=C1OCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194019	0	43	-1.0	-43.18	352.29	5.90	-37.28
CCC1=CC=CC=C1OCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194019	1	43	-1.0	-43.21	352.36	5.91	-37.30
O=C(C(O)C1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194020	0	37	-1.0	-42.06	318.93	3.40	-38.66
O=C(C(O)C1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194020	1	37	-1.0	-42.05	319.00	3.41	-38.64
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1OC	REAL300020194021	0	41	-1.0	-43.44	333.36	3.71	-39.73
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1OC	REAL300020194021	1	41	-1.0	-43.42	333.44	3.72	-39.70
O=C(C1=CC(F)=C(C(F)(F)F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194022	0	33	-1.0	-40.50	304.04	4.85	-35.65
O=C(C1=CC(F)=C(C(F)(F)F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194022	1	33	-1.0	-40.49	304.11	4.85	-35.64
COCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)C=C1C	REAL300020194023	0	43	-1.0	-63.58	356.38	3.52	-60.06
COCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)C=C1C	REAL300020194023	1	43	-1.0	-63.59	356.46	3.53	-60.06
CC1=NC=C2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CN21	REAL300020194024	0	40	-1.0	-43.79	320.53	4.57	-39.22
CC1=NC=C2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CN21	REAL300020194024	1	40	-1.0	-43.81	320.60	4.58	-39.23
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CN21	REAL300020194024	1	41	0.0	-59.39	324.67	5.07	-54.32
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CN21	REAL300020194024	1	41	0.0	-59.43	324.74	5.09	-54.34
O=C(C1=CC=C(OC(F)(F)F)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194025	0	33	-1.0	-39.99	295.71	2.49	-37.50
O=C(C1=CC=C(OC(F)(F)F)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194025	1	33	-1.0	-40.03	295.63	2.49	-37.54
CC1=NN=C(COCC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020194026	0	35	-1.0	-53.28	316.39	1.96	-51.32
CC1=NN=C(COCC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020194026	1	35	-1.0	-53.31	316.47	1.97	-51.34
COC1=CC=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300020194027	0	41	-1.0	-48.98	334.59	4.94	-44.04
COC1=CC=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020194027	1	41	-1.0	-49.01	334.66	4.96	-44.05
CCC1=CC=C2OC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020194028	0	39	-1.0	-47.73	321.67	5.48	-42.25
CCC1=CC=C2OC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020194028	1	39	-1.0	-47.74	321.74	5.49	-42.25
O=C(C1=CC(F)=C(Br)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194029	0	30	-1.0	-38.82	291.82	4.67	-34.15
O=C(C1=CC(F)=C(Br)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194029	1	30	-1.0	-38.84	291.90	4.68	-34.16
CC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1O	REAL300020194030	0	36	-1.0	-46.15	299.38	2.52	-43.63
CC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1O	REAL300020194030	1	36	-1.0	-46.14	299.45	2.54	-43.60
CCOC(=O)CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC=CC=C21	REAL300020194031	0	46	-1.0	-46.70	379.36	6.46	-40.24
CCOC(=O)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC=CC=C21	REAL300020194031	1	46	-1.0	-46.67	379.44	6.48	-40.19
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194032	0	52	0.0	-69.83	399.71	8.42	-61.41
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194032	1	52	0.0	-51.62	388.78	8.45	-43.17
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194032	1	52	0.0	-69.89	399.78	8.43	-61.46
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194032	1	52	0.0	-51.61	388.85	8.46	-43.15
O=C(C1=COC(SC2=NC=CC=N2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194033	0	35	-1.0	-45.73	321.27	1.38	-44.35
O=C(C1=COC(SC2=NC=CC=N2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194033	1	35	-1.0	-45.76	321.19	1.36	-44.40
COC(=O)CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC=CC=C21	REAL300020194034	0	43	-1.0	-46.10	357.48	5.55	-40.55
COC(=O)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC=CC=C21	REAL300020194034	1	43	-1.0	-46.09	357.56	5.55	-40.54
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)CC1	REAL300020194035	0	57	0.0	-55.22	410.02	5.27	-49.95
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)CC1	REAL300020194035	1	57	0.0	-55.24	410.09	5.28	-49.96
CC(CN1C=CC2=CC=CC=C21)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194036	0	43	-1.0	-42.37	345.69	6.88	-35.49
CC(CN1C=CC2=CC=CC=C21)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194036	1	43	-1.0	-42.33	345.77	6.89	-35.44
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194037	0	32	-2.0	-81.54	290.40	0.87	-80.67
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194037	1	32	-2.0	-81.56	290.47	0.88	-80.68
O=C(C(CO)C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194038	0	37	-1.0	-44.53	324.71	2.36	-42.17
O=C(C(CO)C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194038	1	37	-1.0	-44.57	324.78	2.37	-42.20
CC(C)OC1=NC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194039	0	39	-1.0	-47.37	322.24	3.09	-44.28
CC(C)OC1=NC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194039	1	39	-1.0	-47.37	322.17	3.08	-44.29
O=C(C1=CC=C(C(F)(F)F)C=C1N1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194040	0	45	-1.0	-43.00	364.96	5.35	-37.65
O=C(C1=CC=C(C(F)(F)F)C=C1N1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194040	1	45	-1.0	-43.07	365.04	5.35	-37.72
CC(=O)C1=CC(Br)=CC=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194041	0	39	-1.0	-54.91	349.28	6.70	-48.21
CC(=O)C1=CC(Br)=CC=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194041	1	39	-1.0	-54.91	349.35	6.71	-48.20
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Br)C(=O)N1	REAL300020194042	0	33	-1.0	-43.09	301.74	1.99	-41.10
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Br)C(=O)N1	REAL300020194042	1	33	-1.0	-43.11	301.82	1.99	-41.12
O=C(C1=NC=C(CC2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194043	0	39	-1.0	-44.04	335.52	4.36	-39.68
O=C(C1=NC=C(CC2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194043	1	39	-1.0	-44.05	335.44	4.36	-39.69
N#CC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194044	0	31	-1.0	-44.30	289.24	4.61	-39.69
N#CC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194044	1	31	-1.0	-44.30	289.31	4.61	-39.69
CC(C)CC1=CC=CC(C(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194045	0	48	-1.0	-43.00	378.09	7.84	-35.16
CC(C)CC1=CC=CC(C(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194045	1	48	-1.0	-43.01	378.17	7.85	-35.16
O=C(C1CCCC2CCCCC21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194046	0	46	-1.0	-35.39	328.63	6.15	-29.24
O=C(C1CCCC2CCCCC21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194046	1	46	-1.0	-35.43	328.71	6.15	-29.28
O=C(C1CCS(=O)(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194047	0	40	-1.0	-51.91	336.04	2.08	-49.83
O=C(C1CCS(=O)(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194047	1	40	-1.0	-51.91	336.11	2.10	-49.81
O=C(C1=CC(C(F)(F)F)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194048	0	30	-1.0	-39.56	273.93	1.50	-38.06
O=C(C1=CC(C(F)(F)F)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194048	1	30	-1.0	-39.58	274.00	1.51	-38.07
CC1=NC(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=CS1	REAL300020194049	0	39	-1.0	-46.83	334.38	4.97	-41.86
CC1=NC(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=CS1	REAL300020194049	1	39	-1.0	-46.84	334.31	4.96	-41.88
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Br)=C1OC	REAL300020194050	0	38	-1.0	-42.52	332.99	3.52	-39.00
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Br)=C1OC	REAL300020194050	1	38	-1.0	-42.52	333.06	3.54	-38.98
CN(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020194051	0	46	-1.0	-45.58	367.14	4.12	-41.46
CN(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020194051	1	46	-1.0	-45.56	367.22	4.13	-41.43
CC1=CC(CN2N=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C)=NO1	REAL300020194052	0	41	-1.0	-49.21	348.30	3.03	-46.18
CC1=CC(CN2N=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C)=NO1	REAL300020194052	1	41	-1.0	-49.23	348.37	3.03	-46.20
O=C(C1=CSC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020194053	0	27	-1.0	-44.56	258.99	3.21	-41.35
O=C(C1=CSC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020194053	1	27	-1.0	-44.60	259.07	3.23	-41.37
COC1=CC(C)=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194054	0	37	-1.0	-44.80	322.05	5.00	-39.80
COC1=CC(C)=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194054	1	37	-1.0	-44.79	322.13	5.01	-39.78
COC1=CC=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020194055	0	40	-1.0	-47.50	336.88	4.91	-42.59
COC1=CC=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020194055	1	40	-1.0	-47.47	336.96	4.92	-42.55
CCC(C)(C)C1CCC2(CC2C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194056	0	55	-1.0	-42.37	392.19	8.13	-34.24
CCC(C)(C)C1CCC2(CC2C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194056	1	55	-1.0	-42.39	392.27	8.14	-34.25
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC(F)=CC(Br)=C2)CC1	REAL300020194057	0	37	-1.0	-42.95	332.80	6.34	-36.61
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC(F)=CC(Br)=C2)CC1	REAL300020194057	1	37	-1.0	-43.00	332.87	6.34	-36.66
CC(O)(CSC1=CC=CC(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194058	0	41	-1.0	-40.75	348.63	3.52	-37.23
CC(O)(CSC1=CC=CC(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194058	1	41	-1.0	-40.78	348.71	3.54	-37.24
CN1C=CN=C1C(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020194059	0	39	-1.0	-43.00	334.54	4.32	-38.68
CN1C=CN=C1C(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020194059	1	39	-1.0	-43.01	334.61	4.33	-38.68
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194060	0	43	-1.0	-51.20	349.87	5.96	-45.24
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194060	1	43	-1.0	-51.16	349.95	5.98	-45.18
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194061	0	37	-1.0	-47.36	323.99	-0.17	-47.53
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194061	1	37	-1.0	-47.34	323.92	-0.18	-47.52
O=C(C1=CC([N+](=O)[O-])=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194062	0	32	-1.0	-44.28	287.99	4.45	-39.83
O=C(C1=CC([N+](=O)[O-])=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194062	1	32	-1.0	-44.27	288.07	4.46	-39.81
O=C(C1=C(Cl)C(Cl)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194063	0	26	-1.0	-39.57	268.42	2.32	-37.25
O=C(C1=C(Cl)C(Cl)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194063	1	26	-1.0	-39.59	268.35	2.30	-37.29
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CN=C2)=NO1	REAL300020194064	0	38	-1.0	-44.21	330.93	3.97	-40.24
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CN=C2)=NO1	REAL300020194064	1	38	-1.0	-44.17	330.85	3.96	-40.21
O=C(CC1=CC=C2N=CSC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194065	0	35	-1.0	-47.73	311.95	4.16	-43.57
O=C(CC1=CC=C2N=CSC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194065	1	35	-1.0	-47.77	311.88	4.15	-43.62
O=C(CCCS(=O)(=O)C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194066	0	42	-1.0	-53.78	379.62	3.88	-49.90
O=C(CCCS(=O)(=O)C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194066	1	42	-1.0	-53.73	379.70	3.89	-49.84
O=C(C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194067	0	39	-1.0	-44.41	323.96	6.24	-38.17
O=C(C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194067	1	39	-1.0	-44.41	324.03	6.26	-38.15
CC1=NC2=C3C=CC=NC3=NN2C(C)=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194068	0	49	-1.0	-52.50	399.62	6.96	-45.54
CC1=NC2=C3C=CC=NC3=NN2C(C)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194068	1	49	-1.0	-52.50	399.69	6.97	-45.53
CNC1=NC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020194069	0	36	-1.0	-49.65	313.72	2.98	-46.67
CNC1=NC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020194069	1	36	-1.0	-49.65	313.65	2.97	-46.68
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194070	0	47	-1.0	-39.43	376.32	8.42	-31.01
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194070	1	47	-1.0	-39.43	376.40	8.43	-31.00
CN(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C21	REAL300020194071	0	43	-1.0	-43.26	349.80	4.74	-38.52
CN(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NC2=CC=CC=C21	REAL300020194071	1	43	-1.0	-43.24	349.73	4.73	-38.51
CC1=CC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1C1CC1	REAL300020194072	0	40	-1.0	-61.48	332.01	5.02	-56.46
CC1=CC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1C1CC1	REAL300020194072	1	40	-1.0	-61.49	332.09	5.04	-56.45
COC(=O)CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CO1	REAL300020194073	0	36	-1.0	-47.72	306.95	3.29	-44.43
COC(=O)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CO1	REAL300020194073	1	36	-1.0	-47.71	307.02	3.30	-44.41
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020194074	0	41	0.0	-71.56	324.04	3.65	-67.91
CN(C)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020194074	1	40	-1.0	-44.65	321.57	1.18	-43.47
CN(C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020194074	1	40	-1.0	-44.65	321.64	1.18	-43.47
NC1=NC(C2CCCC2)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194075	0	43	-1.0	-39.67	341.92	3.18	-36.49
NC1=NC(C2CCCC2)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194075	1	43	-1.0	-39.67	342.00	3.19	-36.48
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194076	0	43	-1.0	-46.87	358.63	4.08	-42.79
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194076	1	43	-1.0	-46.90	358.71	4.10	-42.80
CC1=C(Br)C=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194077	0	35	-1.0	-38.93	318.52	5.51	-33.42
CC1=C(Br)C=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194077	1	35	-1.0	-38.99	318.59	5.52	-33.47
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1Br	REAL300020194078	0	33	-1.0	-39.47	304.13	5.20	-34.27
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1Br	REAL300020194078	1	33	-1.0	-39.48	304.20	5.20	-34.28
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194079	0	45	-1.0	-42.20	365.56	7.19	-35.01
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194079	1	45	-1.0	-42.19	365.64	7.21	-34.98
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194080	0	37	-2.0	-104.54	327.66	3.49	-101.05
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194080	1	37	-2.0	-104.53	327.73	3.51	-101.02
CC1=CC2=C(C)C=CN=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194081	0	41	-1.0	-51.36	333.71	5.53	-45.83
CC1=CC2=C(C)C=CN=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194081	1	41	-1.0	-51.34	333.78	5.55	-45.79
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL300020194082	0	38	-1.0	-40.49	331.22	5.41	-35.08
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL300020194082	1	38	-1.0	-40.48	331.30	5.41	-35.07
O=C(C1CCC(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194083	0	39	-1.0	-46.19	319.28	5.26	-40.93
O=C(C1CCC(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194083	1	39	-1.0	-46.21	319.35	5.26	-40.95
O=C(C1=CC(Cl)=CC(F)=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020194084	0	30	-1.0	-39.96	295.06	4.87	-35.09
O=C(C1=CC(Cl)=CC(F)=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020194084	1	30	-1.0	-39.90	295.14	4.89	-35.01
CC1=CSC(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020194085	0	38	-1.0	-47.36	330.20	4.07	-43.29
CC1=CSC(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020194085	1	38	-1.0	-47.37	330.28	4.07	-43.30
O=C(CSC1=NC=CN1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194086	0	44	-1.0	-45.58	382.84	7.69	-37.89
O=C(CSC1=NC=CN1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194086	1	44	-1.0	-45.58	382.76	7.69	-37.89
O=CC1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020194087	0	39	-1.0	-50.57	337.62	5.93	-44.64
O=CC1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020194087	1	39	-1.0	-50.57	337.70	5.94	-44.63
O=C(N1CCC(C2=N[N-]N=N2)C1)C12C3C(=O)C4C1C1CC4C3C12	REAL300020194088	0	39	-1.0	-44.50	304.22	4.89	-39.61
O=C(N1CCC(C2=NN=N[N-]2)C1)C12C3C(=O)C4C1C1CC4C3C12	REAL300020194088	1	39	-1.0	-44.56	304.30	4.90	-39.66
O=C(C1CCN(CC(F)(F)F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194089	0	41	-1.0	-37.85	325.43	2.36	-35.49
O=C(C1CCN(CC(F)(F)F)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194089	1	41	-1.0	-37.85	325.50	2.37	-35.48
O=C(C1COCCN1CC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194090	0	39	-1.0	-42.73	321.31	0.61	-42.12
O=C(C1COCCN1CC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194090	1	39	-1.0	-42.75	321.39	0.62	-42.13
CS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194091	0	39	-1.0	-57.26	328.46	2.84	-54.42
CS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194091	1	39	-1.0	-57.27	328.53	2.84	-54.43
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1CC1	REAL300020194092	0	39	-1.0	-58.34	314.76	1.07	-57.27
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1CC1	REAL300020194092	1	39	-1.0	-58.36	314.84	1.09	-57.27
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(O)CCC2=CC=CC=C2C1	REAL300020194093	0	41	-1.0	-41.53	323.78	3.42	-38.11
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(O)CCC2=CC=CC=C2C1	REAL300020194093	1	41	-1.0	-41.54	323.85	3.42	-38.12
O=C(C1=CC(CC2=CC=CC=C2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194094	0	40	-1.0	-41.77	335.79	4.88	-36.89
O=C(C1=CC(CC2=CC=CC=C2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194094	1	40	-1.0	-41.76	335.86	4.89	-36.87
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020194095	0	36	-1.0	-46.63	315.05	1.11	-45.52
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020194095	1	36	-1.0	-46.66	315.12	1.12	-45.54
CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CCOC(CC)C1	REAL300020194096	0	48	-1.0	-43.99	358.44	2.27	-41.72
CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCOC(CC)C1	REAL300020194096	1	48	-1.0	-44.00	358.52	2.29	-41.71
CCN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)CC1=CC=CC=C1Cl	REAL300020194097	0	44	-1.0	-45.17	361.19	4.83	-40.34
CCN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1Cl	REAL300020194097	1	44	-1.0	-45.20	361.26	4.84	-40.36
O=C(CC1=CSC(N2CCOCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194098	0	42	-1.0	-48.19	353.59	1.57	-46.62
O=C(CC1=CSC(N2CCOCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194098	1	42	-1.0	-48.20	353.66	1.58	-46.62
CCCCCCCCC(O)CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194099	0	54	-1.0	-42.15	423.77	5.55	-36.60
CCCCCCCCC(O)CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194099	1	54	-1.0	-42.15	423.85	5.55	-36.60
O=C(C1=CC2=C(Br)C(F)=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194100	0	34	-1.0	-43.87	311.10	4.75	-39.12
O=C(C1=CC2=C(Br)C(F)=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194100	1	34	-1.0	-43.89	311.17	4.75	-39.14
COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194101	0	43	-1.0	-40.76	337.17	2.08	-38.68
COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194101	1	43	-1.0	-40.79	337.24	2.09	-38.70
CC(C)(C)OC(=O)N1CC2CCC1C(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020194102	0	54	-1.0	-54.00	399.82	6.46	-47.54
CC(C)(C)OC(=O)N1CC2CCC1C(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020194102	1	54	-1.0	-54.00	399.89	6.46	-47.54
O=C(C1=C(F)C=CC(SCC2CC2)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194103	0	41	-1.0	-47.91	364.93	7.43	-40.48
O=C(C1=C(F)C=CC(SCC2CC2)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194103	1	41	-1.0	-47.96	365.01	7.44	-40.52
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020194104	0	46	-1.0	-45.03	371.66	3.01	-42.02
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020194104	1	46	-1.0	-45.01	371.74	3.01	-42.00
O=C(C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194105	0	40	-1.0	-41.03	355.10	6.13	-34.90
O=C(C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194105	1	40	-1.0	-41.05	355.03	6.12	-34.93
CC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1(Cl)Cl	REAL300020194106	0	33	-1.0	-39.45	299.99	4.71	-34.74
CC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1(Cl)Cl	REAL300020194106	1	33	-1.0	-39.45	300.06	4.72	-34.73
COC1=CC=CC=C1OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020194107	0	44	-1.0	-43.58	367.67	5.50	-38.08
COC1=CC=CC=C1OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020194107	1	44	-1.0	-43.57	367.60	5.50	-38.07
O=C(C1=CC2=CC=NC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194108	0	32	-1.0	-41.39	284.08	3.38	-38.01
O=C(C1=CC2=CC=NC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194108	1	32	-1.0	-41.41	284.00	3.37	-38.04
O=C(C1=CC=CC(C2=CN=CO2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194109	0	36	-1.0	-45.81	304.68	1.99	-43.82
O=C(C1=CC=CC(C2=CN=CO2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194109	1	36	-1.0	-45.87	304.61	1.97	-43.90
O=C(C1=CC=C(C2OCCO2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194110	0	39	-1.0	-44.57	317.33	3.20	-41.37
O=C(C1=CC=C(C2OCCO2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194110	1	39	-1.0	-44.59	317.41	3.21	-41.38
O=C(C1=C(O)C2=CC=CC=C2C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194111	0	36	-1.0	-47.82	303.70	3.64	-44.18
O=C(C1=C(O)C2=CC=CC=C2C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194111	1	36	-1.0	-47.84	303.77	3.65	-44.19
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194111	1	35	-2.0	-106.73	300.14	4.65	-102.08
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194111	1	35	-2.0	-106.72	300.21	4.66	-102.06
CC1=NN=C(CN2N=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C)O1	REAL300020194112	0	40	-1.0	-47.36	344.45	-2.13	-49.49
CC1=NN=C(CN2N=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C)O1	REAL300020194112	1	40	-1.0	-47.41	344.52	-2.11	-49.52
O=C(C1=C(F)C=CC=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194113	0	37	-1.0	-55.34	320.78	5.34	-50.00
O=C(C1=C(F)C=CC=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194113	1	37	-1.0	-55.32	320.70	5.34	-49.98
CC(=O)NC1=CC([N+](=O)[O-])=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194114	0	39	-1.0	-42.38	339.73	3.56	-38.82
CC(=O)NC1=CC([N+](=O)[O-])=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194114	1	39	-1.0	-42.41	339.81	3.59	-38.82
O=C(C1=NC2=CC=CC=C2N=C1C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194115	0	41	-1.0	-43.06	338.15	5.22	-37.84
O=C(C1=NC2=CC=CC=C2N=C1C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194115	1	41	-1.0	-43.08	338.22	5.23	-37.85
CN1C2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C(=O)N(C)C1=O	REAL300020194116	0	39	-1.0	-47.27	336.35	3.19	-44.08
CN1C2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C(=O)N(C)C1=O	REAL300020194116	1	39	-1.0	-47.32	336.43	3.20	-44.12
O=C(C1=CC(F)=C(N2CCOCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194117	0	43	-1.0	-40.83	346.08	2.66	-38.17
O=C(C1=CC(F)=C(N2CCOCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194117	1	43	-1.0	-40.90	346.15	2.67	-38.23
COC1=CC=C(OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2)C=C1	REAL300020194118	0	44	-1.0	-42.06	367.86	4.90	-37.16
COC1=CC=C(OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2)C=C1	REAL300020194118	1	44	-1.0	-42.10	367.79	4.90	-37.20
O=C(C(=CC1=CC=CC=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194119	0	37	-1.0	-41.61	307.60	5.49	-36.12
O=C(C(=CC1=CC=CC=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194119	1	37	-1.0	-41.65	307.67	5.51	-36.14
O=C(C(F)=CC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194120	0	37	-1.0	-39.36	328.96	6.13	-33.23
O=C(C(F)=CC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194120	1	37	-1.0	-39.37	329.03	6.15	-33.22
CC1=CNC(CC(N)=O)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194121	0	38	-1.0	-55.40	326.34	-0.11	-55.51
CC1=CNC(CC(N)=O)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194121	1	38	-1.0	-55.41	326.41	-0.11	-55.52
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=CC=CN=C1	REAL300020194122	0	39	-1.0	-45.59	326.76	3.39	-42.20
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=CC=CN=C1	REAL300020194122	1	39	-1.0	-45.62	326.68	3.37	-42.25
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NC=C1C(N)=O	REAL300020194123	0	36	-1.0	-44.92	300.66	0.20	-44.72
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NC=C1C(N)=O	REAL300020194123	1	36	-1.0	-44.95	300.74	0.22	-44.73
O=C(C1=CC2=CC=C(Br)C=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194124	0	33	-1.0	-40.26	310.52	5.76	-34.50
O=C(C1=CC2=CC=C(Br)C=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194124	1	33	-1.0	-40.29	310.59	5.77	-34.52
COC1=CC=CC(OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2)=C1	REAL300020194125	0	44	-1.0	-42.16	369.58	4.98	-37.18
COC1=CC=CC(OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2)=C1	REAL300020194125	1	44	-1.0	-42.20	369.51	4.97	-37.23
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2)CCOCC1	REAL300020194126	0	47	-1.0	-46.09	344.77	5.62	-40.47
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2)CCOCC1	REAL300020194126	1	47	-1.0	-46.10	344.84	5.63	-40.47
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL300020194127	0	40	-1.0	-44.95	340.67	6.80	-38.15
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL300020194127	1	40	-1.0	-44.90	340.74	6.82	-38.08
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(C)C)=N1	REAL300020194128	0	41	-1.0	-42.35	330.46	4.56	-37.79
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(C)C)=N1	REAL300020194128	1	41	-1.0	-42.39	330.54	4.58	-37.81
O=C(CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194129	0	46	-1.0	-50.87	380.55	8.15	-42.72
O=C(CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194129	1	46	-1.0	-50.88	380.47	8.13	-42.75
O=C(C1=CC2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194130	0	32	-1.0	-43.65	284.06	3.26	-40.39
O=C(C1=CC2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194130	1	32	-1.0	-43.65	283.98	3.26	-40.39
N#CC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020194131	0	35	-1.0	-49.92	330.14	5.60	-44.32
N#CC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020194131	1	35	-1.0	-49.94	330.22	5.61	-44.33
CC1=CC=C(Br)C=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194132	0	36	-1.0	-44.10	318.78	5.87	-38.23
CC1=CC=C(Br)C=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194132	1	36	-1.0	-44.09	318.86	5.88	-38.21
O=C(C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194133	0	39	-1.0	-46.81	332.64	6.27	-40.54
O=C(C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194133	1	39	-1.0	-46.79	332.71	6.28	-40.51
O=C(CN1C(=O)C(F)(F)C2=CC([N+](=O)[O-])=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194134	0	40	-1.0	-52.53	363.90	5.76	-46.77
O=C(CN1C(=O)C(F)(F)C2=CC([N+](=O)[O-])=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194134	1	40	-1.0	-52.54	363.98	5.78	-46.76
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CN(C)N=C1	REAL300020194135	0	39	-1.0	-44.31	330.19	2.16	-42.15
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CN(C)N=C1	REAL300020194135	1	39	-1.0	-44.26	330.11	2.16	-42.10
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020194136	0	37	-1.0	-46.58	322.39	6.50	-40.08
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194136	1	37	-1.0	-46.61	322.46	6.51	-40.10
CC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020194137	0	36	-1.0	-44.43	320.36	5.94	-38.49
CC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020194137	1	36	-1.0	-44.44	320.43	5.94	-38.50
O=C(CC1=CC2=CC=CC=C2C(=O)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194138	0	39	-1.0	-52.52	331.75	3.85	-48.67
O=C(CC1=CC2=CC=CC=C2C(=O)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194138	1	39	-1.0	-52.53	331.82	3.86	-48.67
O=C(C1=C(F)C=CC(S(=O)(=O)CC2CC2)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194139	0	43	-1.0	-50.90	384.06	3.98	-46.92
O=C(C1=C(F)C=CC(S(=O)(=O)CC2CC2)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194139	1	43	-1.0	-50.89	384.14	3.98	-46.91
CC(F)(F)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194140	0	36	-1.0	-42.99	303.10	5.10	-37.89
CC(F)(F)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194140	1	36	-1.0	-43.00	303.17	5.12	-37.88
O=C(CC1COC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194141	0	39	-1.0	-50.79	323.90	4.74	-46.05
O=C(CC1COC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194141	1	39	-1.0	-50.76	323.97	4.75	-46.01
O=C(C1=CC=NC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194142	0	33	-1.0	-46.29	288.58	1.03	-45.26
O=C(C1=CC=NC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194142	1	33	-1.0	-46.33	288.51	1.02	-45.31
COC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1OC	REAL300020194143	0	41	-1.0	-48.18	356.92	4.53	-43.65
COC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1OC	REAL300020194143	1	41	-1.0	-48.17	357.00	4.54	-43.63
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020194144	0	47	-1.0	-50.61	367.60	3.43	-47.18
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020194144	1	47	-1.0	-50.64	367.67	3.44	-47.20
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1F	REAL300020194145	0	36	-1.0	-48.42	315.67	4.66	-43.76
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1F	REAL300020194145	1	36	-1.0	-48.43	315.74	4.67	-43.76
O=C(C1CC1C1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020194146	0	37	-1.0	-46.56	322.33	6.49	-40.07
O=C(C1CC1C1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194146	1	37	-1.0	-46.56	322.40	6.50	-40.06
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2(CC2)C1	REAL300020194147	0	51	-1.0	-46.20	395.03	5.07	-41.13
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2(CC2)C1	REAL300020194147	1	51	-1.0	-46.18	395.10	5.08	-41.10
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194148	0	45	-1.0	-49.33	361.61	4.58	-44.75
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194148	1	45	-1.0	-49.41	361.68	4.59	-44.82
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC=C1Br	REAL300020194149	0	33	-1.0	-40.87	302.32	5.05	-35.82
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC=C1Br	REAL300020194149	1	33	-1.0	-40.88	302.39	5.06	-35.82
O=C(C1=CC=C(S(=O)(=O)C2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194150	0	40	-1.0	-48.23	341.64	2.86	-45.37
O=C(C1=CC=C(S(=O)(=O)C2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194150	1	40	-1.0	-48.26	341.72	2.88	-45.38
O=C(COC1=C(Cl)C=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020194151	0	34	-1.0	-43.89	342.38	6.39	-37.50
O=C(COC1=C(Cl)C=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194151	1	34	-1.0	-43.89	342.45	6.40	-37.49
O=C([C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194152	0	45	-1.0	-57.34	369.52	4.25	-53.09
O=C([C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194152	1	45	-1.0	-57.33	369.60	4.26	-53.07
O=C(C1=C(Br)SC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194153	0	27	-1.0	-43.89	258.67	3.27	-40.62
O=C(C1=C(Br)SC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194153	1	27	-1.0	-43.93	258.74	3.27	-40.66
COC1=CC=C(OC(F)(F)F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194154	0	38	-1.0	-44.38	328.58	3.61	-40.77
COC1=CC=C(OC(F)(F)F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194154	1	38	-1.0	-44.43	328.65	3.62	-40.81
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC2=C1OC(F)(F)O2	REAL300020194155	0	36	-1.0	-42.03	312.11	3.45	-38.58
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC2=C1OC(F)(F)O2	REAL300020194155	1	36	-1.0	-42.02	312.19	3.46	-38.56
COC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020194156	0	37	-1.0	-45.93	326.27	4.61	-41.32
COC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020194156	1	37	-1.0	-45.96	326.34	4.63	-41.33
O=C(C(O)C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194157	0	34	-1.0	-41.66	311.86	3.37	-38.29
O=C(C(O)C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194157	1	34	-1.0	-41.69	311.94	3.37	-38.32
CN1N=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194158	0	33	-1.0	-39.20	291.51	2.43	-36.77
CN1N=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194158	1	33	-1.0	-39.22	291.43	2.43	-36.79
CC1=CC(F)=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020194159	0	36	-1.0	-44.55	312.89	5.51	-39.04
CC1=CC(F)=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020194159	1	36	-1.0	-44.55	312.96	5.51	-39.04
O=C(C1CCCC2=C1N=C(NC1=CC=CC=C1)S2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194160	0	48	-1.0	-51.31	395.92	6.94	-44.37
O=C(C1CCCC2=C1N=C(NC1=CC=CC=C1)S2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194160	1	48	-1.0	-51.30	395.85	6.91	-44.39
O=C(C1=CC=C(C(F)(F)F)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194161	0	31	-1.0	-39.69	278.87	2.90	-36.79
O=C(C1=CC=C(C(F)(F)F)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194161	1	31	-1.0	-39.72	278.94	2.91	-36.81
CC(C)(C)C(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020194162	0	45	-1.0	-53.77	361.26	4.19	-49.58
CC(C)(C)C(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020194162	1	45	-1.0	-53.75	361.19	4.17	-49.58
CC1=CC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020194163	0	36	-1.0	-41.11	312.15	5.52	-35.59
CC1=CC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020194163	1	36	-1.0	-41.12	312.22	5.53	-35.59
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1Cl	REAL300020194164	0	33	-1.0	-43.94	302.27	5.26	-38.68
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1Cl	REAL300020194164	1	33	-1.0	-43.97	302.34	5.26	-38.71
O=C(C1=CC=CN1CCN1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194165	0	47	-1.0	-45.14	364.86	2.50	-42.64
O=C(C1=CC=CN1CCN1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194165	1	47	-1.0	-45.18	364.94	2.50	-42.68
N#CC1=CC(Br)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194166	0	31	-1.0	-46.67	294.31	4.60	-42.07
N#CC1=CC(Br)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194166	1	31	-1.0	-46.71	294.38	4.61	-42.10
O=C(C1=CSC(I)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194167	0	26	-1.0	-40.51	268.29	2.47	-38.04
O=C(C1=CSC(I)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194167	1	26	-1.0	-40.53	268.21	2.47	-38.06
CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020194168	0	45	-1.0	-43.15	361.82	0.13	-43.02
CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020194168	1	45	-1.0	-43.21	361.89	0.16	-43.05
O=C(C1=CSC(NC2=CC(F)=CC(F)=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194169	0	38	-1.0	-41.66	344.40	5.08	-36.58
O=C(C1=CSC(NC2=CC(F)=CC(F)=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194169	1	38	-1.0	-41.69	344.32	5.07	-36.62
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)N2N=NN=C2N1C	REAL300020194170	0	41	-1.0	-41.54	327.71	4.48	-37.06
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)N2N=NN=C2N1C	REAL300020194170	1	41	-1.0	-41.50	327.64	4.47	-37.03
CN(C(=O)OC(C)(C)C)C(CC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194171	0	58	-1.0	-42.78	420.28	6.94	-35.84
CN(C(=O)OC(C)(C)C)C(CC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194171	1	58	-1.0	-42.81	420.35	6.95	-35.86
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194172	0	39	-1.0	-44.67	346.28	2.35	-42.32
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194172	1	39	-1.0	-44.71	346.35	2.35	-42.36
CC1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)(C2=CC=CC(Cl)=C2)C1	REAL300020194173	0	43	-1.0	-40.72	345.65	6.89	-33.83
CC1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)(C2=CC=CC(Cl)=C2)C1	REAL300020194173	1	43	-1.0	-40.73	345.72	6.91	-33.82
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020194174	0	39	-1.0	-42.07	323.54	5.92	-36.15
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020194174	1	39	-1.0	-42.13	323.61	5.94	-36.19
COCCN1C=C(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C=N1	REAL300020194175	0	48	-1.0	-53.30	396.46	2.70	-50.60
COCCN1C=C(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C=N1	REAL300020194175	1	48	-1.0	-53.27	396.38	2.69	-50.58
CC(OCCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194176	0	43	-1.0	-45.73	351.71	6.43	-39.30
CC(OCCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194176	1	43	-1.0	-45.75	351.78	6.43	-39.32
C=CCOC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194177	0	41	-1.0	-45.61	344.99	5.59	-40.02
C=CCOC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194177	1	41	-1.0	-45.62	345.06	5.60	-40.02
O=C(C1=CC(Cl)=NC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194178	0	33	-1.0	-42.67	305.45	1.45	-41.22
O=C(C1=CC(Cl)=NC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194178	1	33	-1.0	-42.69	305.38	1.44	-41.25
N#CC1=CC=C(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C=C1Cl	REAL300020194179	0	42	-1.0	-46.06	368.14	5.68	-40.38
N#CC1=CC=C(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C=C1Cl	REAL300020194179	1	42	-1.0	-46.09	368.21	5.69	-40.40
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(C)(=O)=O	REAL300020194180	0	40	-1.0	-54.74	337.21	0.93	-53.81
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(C)(=O)=O	REAL300020194180	1	40	-1.0	-54.77	337.29	0.93	-53.84
COC(CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194181	0	40	-1.0	-44.60	329.55	5.46	-39.14
COC(CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194181	1	40	-1.0	-44.58	329.63	5.47	-39.11
O=C(C1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194182	0	33	-1.0	-40.05	289.44	2.66	-37.39
O=C(C1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194182	1	33	-1.0	-40.07	289.51	2.67	-37.40
CCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020194183	0	44	-1.0	-45.90	355.38	4.88	-41.02
CCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020194183	1	44	-1.0	-45.90	355.45	4.89	-41.01
CC1=CC=CC(CNC(=O)C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020194184	0	50	-1.0	-47.19	409.13	6.37	-40.82
CC1=CC=CC(CNC(=O)C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020194184	1	50	-1.0	-47.15	409.21	6.39	-40.76
CCOC(=O)C1=C(C)NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194185	0	40	-1.0	-44.50	334.14	4.04	-40.46
CCOC(=O)C1=C(C)NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194185	1	40	-1.0	-44.49	334.22	4.05	-40.44
CC(=O)NC[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)CC(C)C	REAL300020194186	0	48	-1.0	-46.09	369.42	4.34	-41.75
CC(=O)NC[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)CC(C)C	REAL300020194186	1	48	-1.0	-46.10	369.49	4.35	-41.75
O=C(C1CCC1C1=CC=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194187	0	40	-1.0	-49.13	346.18	7.05	-42.08
O=C(C1CCC1C1=CC=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194187	1	40	-1.0	-49.11	346.26	7.07	-42.04
CCOCC1=NC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020194188	0	39	-1.0	-41.98	331.94	2.24	-39.74
CCOCC1=NC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020194188	1	39	-1.0	-41.99	332.02	2.26	-39.73
O=C(C1=COC2=C1C(=O)CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194189	0	36	-1.0	-57.83	295.44	4.91	-52.92
O=C(C1=COC2=C1C(=O)CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194189	1	36	-1.0	-57.83	295.52	4.92	-52.91
O=C(CC1=NC(C2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194190	0	39	-1.0	-48.14	343.91	5.51	-42.63
O=C(CC1=NC(C2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194190	1	39	-1.0	-48.17	343.83	5.49	-42.68
CC=CCOC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194191	0	44	-1.0	-46.39	366.70	6.43	-39.96
CC=CCOC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194191	1	44	-1.0	-46.45	366.78	6.44	-40.01
CN(C)C1=NC(Cl)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020194192	0	34	-1.0	-45.73	307.70	3.06	-42.67
CN(C)C1=NC(Cl)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020194192	1	34	-1.0	-45.77	307.63	3.06	-42.71
CC(=O)NC1=CC([N+](=O)[O-])=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194193	0	39	-1.0	-41.96	347.62	3.93	-38.03
CC(=O)NC1=CC([N+](=O)[O-])=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194193	1	39	-1.0	-41.98	347.70	3.95	-38.03
O=C(OCC1=CC=CC=C1)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N1	REAL300020194194	0	44	-1.0	-41.53	376.52	6.50	-35.03
O=C(OCC1=CC=CC=C1)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N1	REAL300020194194	1	44	-1.0	-41.57	376.60	6.51	-35.06
O=C(C1=NN(CCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194195	0	43	-1.0	-45.79	361.47	6.65	-39.14
O=C(C1=NN(CCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194195	1	43	-1.0	-45.83	361.40	6.64	-39.19
O=C(C1CCN(C2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194196	0	42	-1.0	-43.94	329.47	4.12	-39.82
O=C(C1CCN(C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194196	1	42	-1.0	-43.93	329.55	4.12	-39.81
O=C(C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194197	0	39	-1.0	-43.10	340.32	4.77	-38.33
O=C(C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194197	1	39	-1.0	-43.11	340.39	4.78	-38.33
CC1=NN=NN1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020194198	0	38	-1.0	-50.39	327.08	3.81	-46.58
CC1=NN=NN1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020194198	1	38	-1.0	-50.37	327.16	3.83	-46.54
O=C(CC1=C(C2=CC=CC=C2)N=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194199	0	39	-1.0	-45.92	336.75	5.17	-40.75
O=C(CC1=C(C2=CC=CC=C2)N=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194199	1	39	-1.0	-45.90	336.68	5.15	-40.75
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194200	0	51	-1.0	-40.05	385.28	3.94	-36.11
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194200	1	51	-1.0	-40.04	385.35	3.96	-36.08
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194201	0	46	-1.0	-53.83	394.48	4.75	-49.08
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194201	1	46	-1.0	-53.84	394.56	4.77	-49.07
CC(C)CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)F)=N1	REAL300020194202	0	42	-1.0	-50.30	347.65	4.64	-45.66
CC(C)CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)F)=N1	REAL300020194202	1	42	-1.0	-50.33	347.72	4.66	-45.67
O=C(C1=CC=NN1CC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194203	0	33	-1.0	-43.11	290.71	2.75	-40.36
O=C(C1=CC=NN1CC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194203	1	33	-1.0	-43.09	290.65	2.75	-40.34
O=C(C1=CC(Cl)=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194204	0	30	-1.0	-40.48	295.89	4.86	-35.62
O=C(C1=CC(Cl)=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194204	1	30	-1.0	-40.45	295.96	4.87	-35.58
COC(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194205	0	39	-1.0	-47.50	335.53	5.44	-42.06
COC(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194205	1	39	-1.0	-47.53	335.60	5.45	-42.08
COC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1O	REAL300020194206	0	38	-1.0	-48.16	320.99	1.89	-46.27
COC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1O	REAL300020194206	1	38	-1.0	-48.15	321.07	1.90	-46.25
CC(OCC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194207	0	40	-1.0	-47.40	336.63	5.73	-41.67
CC(OCC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194207	1	40	-1.0	-47.39	336.70	5.73	-41.66
O=C(C1=CC=CN=C1N1C=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194208	0	36	-1.0	-49.64	327.85	5.15	-44.49
O=C(C1=CC=CN=C1N1C=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194208	1	36	-1.0	-49.58	327.78	5.15	-44.43
CCN(CC)C1=CC=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(=O)OC2=C1	REAL300020194209	0	49	-1.0	-52.26	403.17	7.60	-44.66
CCN(CC)C1=CC=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(=O)OC2=C1	REAL300020194209	1	49	-1.0	-52.30	403.24	7.61	-44.69
O=C(C1=CC=C(C(F)(F)F)C(=O)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194210	0	33	-1.0	-41.78	293.42	2.14	-39.64
O=C(C1=CC=C(C(F)(F)F)C(=O)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194210	1	33	-1.0	-41.80	293.50	2.15	-39.65
O=C(CCC1=CC=CC=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194211	0	49	-1.0	-43.89	387.46	5.01	-38.88
O=C(CCC1=CC=CC=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194211	1	49	-1.0	-43.92	387.53	5.02	-38.90
O=C(C1=CN=C(F)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194212	0	29	-1.0	-39.09	272.09	2.33	-36.76
O=C(C1=CN=C(F)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194212	1	29	-1.0	-39.05	272.02	2.32	-36.73
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194213	0	43	-1.0	-46.47	356.87	5.10	-41.37
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194213	1	43	-1.0	-46.48	356.95	5.12	-41.36
N#CC1=C(F)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020194214	0	31	-1.0	-40.93	282.47	4.01	-36.92
N#CC1=C(F)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020194214	1	31	-1.0	-40.97	282.54	4.02	-36.95
O=C(C1=CN(CC(O)CO)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194215	0	38	-1.0	-50.25	318.73	-3.20	-53.45
O=C(C1=CN(CC(O)CO)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194215	1	38	-1.0	-50.24	318.65	-3.20	-53.44
O=C(C1=CC=C(I)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194216	0	30	-1.0	-42.83	287.57	4.88	-37.95
O=C(C1=CC=C(I)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194216	1	30	-1.0	-42.88	287.64	4.89	-37.99
O=C(C1=CC(Cl)=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020194217	0	30	-1.0	-38.68	295.18	4.88	-33.80
O=C(C1=CC(Cl)=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020194217	1	30	-1.0	-38.69	295.26	4.89	-33.80
O=C(C1=C(Cl)C=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020194218	0	30	-1.0	-40.50	308.09	5.27	-35.23
O=C(C1=C(Cl)C=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194218	1	30	-1.0	-40.51	308.16	5.28	-35.23
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194219	0	41	-1.0	-48.78	332.08	3.05	-45.73
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194219	1	41	-1.0	-48.80	332.15	3.06	-45.74
O=C(C1=CC=CC=C1)N1CCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194220	0	44	-1.0	-51.28	349.94	4.93	-46.35
O=C(C1=CC=CC=C1)N1CCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194220	1	44	-1.0	-51.28	350.02	4.94	-46.34
O=C(C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194221	0	35	-1.0	-47.83	318.14	6.30	-41.53
O=C(C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194221	1	35	-1.0	-47.86	318.21	6.30	-41.56
O=C(C1=NN(CCN2C=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194222	0	40	-1.0	-47.67	342.49	3.86	-43.81
O=C(C1=NN(CCN2C=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194222	1	40	-1.0	-47.65	342.42	3.84	-43.81
O=C(C1CCCC1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194223	0	43	-1.0	-45.16	330.50	6.68	-38.48
O=C(C1CCCC1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194223	1	43	-1.0	-45.18	330.57	6.71	-38.47
CCN1C(=O)C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CN=C1	REAL300020194224	0	46	-1.0	-48.88	371.81	4.60	-44.28
CCN1C(=O)C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CN=C1	REAL300020194224	1	46	-1.0	-48.85	371.74	4.58	-44.27
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194225	0	43	-1.0	-41.25	332.01	1.73	-39.52
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194225	1	43	-1.0	-41.29	332.09	1.73	-39.56
O=C([C@@H]1CCCC[C@@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194226	0	46	-1.0	-43.92	344.15	7.31	-36.61
O=C([C@@H]1CCCC[C@@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194226	1	46	-1.0	-43.88	344.22	7.33	-36.55
O=C(OCC1=CC=CC=C1)N1CCOCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194227	0	49	-1.0	-52.29	397.00	5.10	-47.19
O=C(OCC1=CC=CC=C1)N1CCOCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194227	1	49	-1.0	-52.27	397.07	5.11	-47.16
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194228	0	52	-1.0	-41.19	396.52	5.48	-35.71
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194228	1	52	-1.0	-41.19	396.59	5.49	-35.70
CC1=NSC(NC2CC2)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194229	0	38	-1.0	-40.70	332.69	2.76	-37.94
CC1=NSC(NC2CC2)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194229	1	38	-1.0	-40.72	332.77	2.78	-37.94
CCN1N=C(C)C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020194230	0	42	-1.0	-48.80	343.41	4.37	-44.43
CCN1N=C(C)C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020194230	1	42	-1.0	-48.80	343.49	4.39	-44.41
O=C(C1=CC2=CC=CC(F)=C2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194231	0	35	-1.0	-48.22	297.67	4.05	-44.17
O=C(C1=CC2=CC=CC(F)=C2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194231	1	35	-1.0	-48.19	297.59	4.03	-44.16
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194232	0	37	-1.0	-44.01	334.99	6.76	-37.25
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194232	1	37	-1.0	-44.02	335.06	6.77	-37.25
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194233	0	45	-1.0	-49.01	363.12	5.04	-43.97
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194233	1	45	-1.0	-49.05	363.20	5.05	-44.00
CSC1=NC=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020194234	0	32	-1.0	-39.92	304.30	3.68	-36.24
CSC1=NC=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020194234	1	32	-1.0	-39.92	304.23	3.66	-36.26
O=C(C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194235	0	43	-1.0	-45.34	362.98	7.54	-37.80
O=C(C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194235	1	43	-1.0	-45.37	363.05	7.55	-37.82
COC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194236	0	37	-1.0	-43.86	321.63	4.83	-39.03
COC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194236	1	37	-1.0	-43.89	321.70	4.84	-39.05
CCC1=C(Br)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020194237	0	33	-1.0	-41.17	304.98	4.86	-36.31
CCC1=C(Br)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020194237	1	33	-1.0	-41.17	305.06	4.87	-36.30
CC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020194238	0	37	-1.0	-43.51	316.57	5.94	-37.57
CC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020194238	1	37	-1.0	-43.52	316.64	5.94	-37.58
O=C(CC1=CSC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020194239	0	30	-1.0	-42.99	290.08	4.26	-38.73
O=C(CC1=CSC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020194239	1	30	-1.0	-42.97	290.15	4.27	-38.70
O=C(C1=C(NC2=CC=CC=C2)SC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194240	0	38	-1.0	-44.43	327.43	4.29	-40.14
O=C(C1=C(NC2=CC=CC=C2)SC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194240	1	38	-1.0	-44.41	327.36	4.28	-40.13
O=C(C1=CN(CCC2=CC=CC=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194241	0	42	-1.0	-43.14	357.04	5.18	-37.96
O=C(C1=CN(CCC2=CC=CC=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194241	1	42	-1.0	-43.13	356.97	5.16	-37.97
O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194242	0	51	-1.0	-39.28	392.30	4.50	-34.78
O=C(C1CCC(OCC2CCCO2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194242	1	51	-1.0	-39.26	392.38	4.51	-34.75
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1Br	REAL300020194243	0	30	-1.0	-39.67	267.94	3.44	-36.23
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1Br	REAL300020194243	1	30	-1.0	-39.66	268.01	3.46	-36.20
O=C(C1=CC=C2C(=C1)NC(=O)CNC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194244	0	39	-1.0	-47.62	324.49	-0.44	-48.06
O=C(C1=CC=C2C(=C1)NC(=O)CNC2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194244	1	39	-1.0	-47.58	324.56	-0.43	-48.01
CC1=CC(CC(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020194245	0	45	-1.0	-41.41	359.54	6.94	-34.47
CC1=CC(CC(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020194245	1	45	-1.0	-41.37	359.61	6.95	-34.42
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020194246	0	45	-1.0	-45.47	339.33	6.96	-38.51
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020194246	1	45	-1.0	-45.47	339.40	6.97	-38.50
CN(C)C1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194247	0	38	-1.0	-41.84	322.42	4.57	-37.27
CN(C)C1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194247	1	38	-1.0	-41.78	322.49	4.57	-37.21
CN(C)C1=CC(C#N)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194248	0	39	-1.0	-43.05	322.19	4.34	-38.71
CN(C)C1=CC(C#N)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194248	1	39	-1.0	-43.06	322.27	4.35	-38.71
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=NN(C)C=C1	REAL300020194249	0	39	-1.0	-45.92	331.38	3.33	-42.59
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=NN(C)C=C1	REAL300020194249	1	39	-1.0	-45.92	331.31	3.33	-42.59
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194250	0	45	0.0	-75.98	350.88	6.31	-69.67
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194250	1	45	0.0	-75.99	350.96	6.33	-69.66
O=C(C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194251	0	35	-1.0	-44.03	315.75	5.30	-38.73
O=C(C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194251	1	35	-1.0	-44.05	315.82	5.32	-38.73
O=C(C(=O)N1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194252	0	46	-1.0	-37.95	359.71	3.24	-34.71
O=C(C(=O)N1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194252	1	46	-1.0	-38.00	359.79	3.25	-34.75
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(F)C=C2)CCOCC1	REAL300020194253	0	47	-1.0	-47.78	352.58	5.94	-41.84
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(F)C=C2)CCOCC1	REAL300020194253	1	47	-1.0	-47.79	352.65	5.97	-41.82
O=C(C1=NN(C2=CC=C(Br)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194254	0	37	-1.0	-44.38	335.84	6.00	-38.38
O=C(C1=NN(C2=CC=C(Br)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194254	1	37	-1.0	-44.36	335.76	5.98	-38.38
COC1=CC=CC(C(=O)CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194255	0	45	-1.0	-57.20	373.33	5.48	-51.72
COC1=CC=CC(C(=O)CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194255	1	45	-1.0	-57.23	373.40	5.49	-51.74
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=N1	REAL300020194256	0	38	-1.0	-46.99	316.62	3.55	-43.44
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=N1	REAL300020194256	1	38	-1.0	-46.96	316.54	3.55	-43.41
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194257	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	REAL300020194257	1	40	-2.0	-111.70	353.73	4.72	-106.98
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194258	0	37	-2.0	-104.36	337.98	3.94	-100.42
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194258	1	37	-2.0	-104.35	338.05	3.96	-100.39
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194259	0	37	-2.0	-104.90	330.97	3.47	-101.43
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194259	1	37	-2.0	-104.91	331.05	3.47	-101.44
COC(=O)CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020194260	0	36	-1.0	-46.17	313.37	4.15	-42.02
COC(=O)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020194260	1	36	-1.0	-46.19	313.44	4.15	-42.04
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C(F)(F)F)=N1	REAL300020194261	0	32	-1.0	-38.02	295.78	2.69	-35.33
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C(F)(F)F)=N1	REAL300020194261	1	32	-1.0	-38.08	295.85	2.69	-35.39
COC(=O)C1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194262	0	36	-1.0	-41.40	326.11	4.83	-36.57
COC(=O)C1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194262	1	36	-1.0	-41.40	326.18	4.84	-36.56
O=C(CC1=CNC2=CC=CC(Cl)=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020194263	0	37	-1.0	-47.91	325.29	5.19	-42.72
O=C(CC1=CNC2=CC=CC(Cl)=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020194263	1	37	-1.0	-47.97	325.37	5.19	-42.78
COC1=CC(Br)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020194264	0	38	-1.0	-42.70	331.26	3.56	-39.14
COC1=CC(Br)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020194264	1	38	-1.0	-42.72	331.34	3.56	-39.16
N#CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1C(F)(F)F	REAL300020194265	0	33	-1.0	-40.37	303.01	3.10	-37.27
N#CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1C(F)(F)F	REAL300020194265	1	33	-1.0	-40.34	302.94	3.10	-37.24
CC(C)C(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020194266	0	42	-1.0	-47.78	342.95	3.67	-44.11
CC(C)C(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020194266	1	42	-1.0	-47.74	342.88	3.65	-44.09
O=C(C1=CC=C(OC(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194267	0	34	-1.0	-43.25	295.41	3.21	-40.04
O=C(C1=CC=C(OC(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194267	1	34	-1.0	-43.25	295.48	3.23	-40.02
CC1=NC(C(C)C)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194268	0	41	-1.0	-41.82	327.16	4.35	-37.47
CC1=NC(C(C)C)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194268	1	41	-1.0	-41.82	327.23	4.36	-37.46
CCC1=NC(C(C)C)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194269	0	44	-1.0	-41.51	346.62	5.07	-36.44
CCC1=NC(C(C)C)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194269	1	44	-1.0	-41.50	346.70	5.07	-36.43
CC1CCCN(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=N2)C1	REAL300020194270	0	47	-1.0	-43.58	361.96	4.89	-38.69
CC1CCCN(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=N2)C1	REAL300020194270	1	47	-1.0	-43.61	361.88	4.88	-38.73
CC1=CC=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194271	0	53	-1.0	-41.84	413.12	6.68	-35.16
CC1=CC=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194271	1	53	-1.0	-41.87	413.20	6.70	-35.17
CN1C=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020194272	0	30	-1.0	-45.97	278.02	2.64	-43.33
CN1C=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020194272	1	30	-1.0	-45.94	277.95	2.63	-43.31
O=C(C1=CC=CC([N+](=O)[O-])=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020194273	0	32	-1.0	-48.17	292.33	4.73	-43.44
O=C(C1=CC=CC([N+](=O)[O-])=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194273	1	32	-1.0	-48.13	292.41	4.74	-43.39
CN(CC=CC(=O)N1CCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300020194274	0	38	-1.0	-46.05	325.95	2.61	-43.44
CN(CC=CC(=O)N1CCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020194274	1	38	-1.0	-46.08	326.02	2.62	-43.46
O=C(C1=CN=C(OC2CCOCC2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194275	0	44	-1.0	-40.62	367.79	2.24	-38.38
O=C(C1=CN=C(OC2CCOCC2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194275	1	44	-1.0	-40.62	367.72	2.23	-38.39
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C2OCOC2=C1	REAL300020194276	0	39	-1.0	-43.82	323.10	3.81	-40.01
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C2OCOC2=C1	REAL300020194276	1	39	-1.0	-43.77	323.17	3.82	-39.95
CC1(C)C(=O)NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020194277	0	41	-1.0	-44.63	333.28	3.06	-41.57
CC1(C)C(=O)NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020194277	1	41	-1.0	-44.68	333.36	3.07	-41.61
NS(=O)(=O)C1=NNC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194278	0	32	-1.0	-54.54	281.03	-3.85	-58.39
NS(=O)(=O)C1=NNC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194278	1	32	-1.0	-54.56	281.10	-3.84	-58.40
CC(C)(C)CCC1(O)CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020194279	0	49	-1.0	-45.14	372.87	3.66	-41.48
CC(C)(C)CCC1(O)CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020194279	1	49	-1.0	-45.14	372.95	3.68	-41.46
O=C(C1=C(C2=CC=CC=C2)N=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194280	0	36	-1.0	-44.45	307.36	2.31	-42.14
O=C(C1=C(C2=CC=CC=C2)N=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194280	1	36	-1.0	-44.45	307.29	2.30	-42.15
CS(=O)(=O)CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020194281	0	42	-1.0	-48.28	357.14	2.68	-45.60
CS(=O)(=O)CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020194281	1	42	-1.0	-48.27	357.22	2.70	-45.57
CC1(C)OC(=O)C2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020194282	0	40	-1.0	-59.34	331.43	6.18	-53.16
CC1(C)OC(=O)C2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020194282	1	40	-1.0	-59.37	331.51	6.18	-53.19
CC(C)(O)C(OC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194283	0	44	-1.0	-51.06	342.75	3.39	-47.67
CC(C)(O)C(OC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194283	1	44	-1.0	-51.06	342.83	3.40	-47.66
O=C(C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194284	0	39	-1.0	-43.41	346.18	6.09	-37.32
O=C(C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194284	1	39	-1.0	-43.36	346.10	6.08	-37.28
CCOC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020194285	0	38	-1.0	-41.67	326.51	4.33	-37.34
CCOC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020194285	1	38	-1.0	-41.67	326.44	4.32	-37.35
CC1=CC(Cl)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020194286	0	35	-1.0	-42.34	312.38	5.36	-36.98
CC1=CC(Cl)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020194286	1	35	-1.0	-42.35	312.46	5.38	-36.97
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020194287	0	40	-1.0	-47.34	350.55	6.05	-41.29
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020194287	1	40	-1.0	-47.31	350.62	6.07	-41.24
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CCC(C4=N[N-]N=N4)C3)[C@H]2C1	REAL300020194288	0	48	-1.0	-46.22	381.82	4.88	-41.34
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CCC(C4=NN=N[N-]4)C3)[C@H]2C1	REAL300020194288	1	48	-1.0	-46.22	381.89	4.88	-41.34
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1OCCC2=C1C=CS2	REAL300020194289	0	41	-1.0	-45.09	337.64	4.45	-40.64
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1OCCC2=C1C=CS2	REAL300020194289	1	41	-1.0	-45.13	337.71	4.46	-40.67
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194290	0	48	-1.0	-54.00	372.92	5.52	-48.48
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194290	1	48	-1.0	-54.01	372.99	5.53	-48.48
O=C(C1=NOC(CN2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194291	0	41	-1.0	-41.03	334.24	2.18	-38.85
O=C(C1=NOC(CN2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194291	1	41	-1.0	-41.05	334.31	2.20	-38.85
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194291	1	42	0.0	-69.91	338.00	4.80	-65.11
CC(C)[C@H](NC(=O)COC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194292	0	50	-1.0	-43.35	394.66	4.84	-38.51
CC(C)[C@H](NC(=O)COC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194292	1	50	-1.0	-43.33	394.73	4.85	-38.48
CC(O)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020194293	0	37	-1.0	-41.34	314.35	2.85	-38.49
CC(O)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020194293	1	37	-1.0	-41.33	314.42	2.86	-38.47
O=C(C1=CC(Cl)=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020194294	0	30	-1.0	-39.13	290.99	4.77	-34.36
O=C(C1=CC(Cl)=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194294	1	30	-1.0	-39.16	291.06	4.78	-34.38
O=C(C1=C(Cl)C=NC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194295	0	29	-1.0	-40.78	286.63	3.02	-37.76
O=C(C1=C(Cl)C=NC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020194295	1	29	-1.0	-40.77	286.55	3.01	-37.76
COC1=CC(Cl)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194296	0	34	-1.0	-42.00	296.09	3.37	-38.63
COC1=CC(Cl)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194296	1	34	-1.0	-41.96	296.17	3.37	-38.59
C#CCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194297	0	39	-1.0	-44.40	328.58	5.10	-39.30
C#CCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194297	1	39	-1.0	-44.43	328.65	5.12	-39.31
CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1I	REAL300020194298	0	30	-1.0	-42.34	277.94	2.25	-40.09
CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1I	REAL300020194298	1	30	-1.0	-42.34	277.87	2.24	-40.10
O=C(COC1=CC=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194299	0	34	-1.0	-44.97	312.24	5.26	-39.71
O=C(COC1=CC=C(Cl)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194299	1	34	-1.0	-44.98	312.31	5.26	-39.72
COC1=CC=CC(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=N2)=C1	REAL300020194300	0	40	-1.0	-44.93	339.80	3.20	-41.73
COC1=CC=CC(N2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=N2)=C1	REAL300020194300	1	40	-1.0	-44.94	339.73	3.20	-41.74
O=C(C1=C(Cl)SC(Cl)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194301	0	26	-1.0	-39.70	270.98	2.64	-37.06
O=C(C1=C(Cl)SC(Cl)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194301	1	26	-1.0	-39.66	270.90	2.64	-37.02
O=C(CCN1C(=O)CCNC1=S)N1CCC(C2=N[N-]N=N2)C1	REAL300020194302	0	38	-1.0	-54.74	326.28	2.92	-51.82
O=C(CCN1C(=O)CCNC1=S)N1CCC(C2=NN=N[N-]2)C1	REAL300020194302	1	38	-1.0	-54.77	326.35	2.92	-51.85
NS(=O)(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020194303	0	40	-1.0	-46.12	328.96	-2.06	-48.18
NS(=O)(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020194303	1	40	-1.0	-46.16	329.04	-2.05	-48.21
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194304	0	37	-1.0	-46.69	321.52	-2.58	-49.27
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194304	1	37	-1.0	-46.69	321.59	-2.57	-49.26
O=C(C1=CC=NC(C2=NC=CN2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194305	0	36	-1.0	-50.57	305.83	2.27	-48.30
O=C(C1=CC=NC(C2=NC=CN2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194305	1	36	-1.0	-50.58	305.90	2.28	-48.30
O=C(CN1N=NC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194306	0	39	-1.0	-51.88	319.22	3.21	-48.67
O=C(CN1N=NC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194306	1	39	-1.0	-51.83	319.29	3.21	-48.62
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020194307	0	41	-1.0	-43.66	340.09	4.44	-39.22
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020194307	1	41	-1.0	-43.67	340.17	4.45	-39.22
O=C(CC1CCCS(=O)(=O)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194308	0	39	-1.0	-57.43	319.36	1.09	-56.34
O=C(CC1CCCS(=O)(=O)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194308	1	39	-1.0	-57.39	319.43	1.10	-56.29
COCCOCCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1	REAL300020194309	0	44	-1.0	-46.29	368.37	1.71	-44.58
COCCOCCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1	REAL300020194309	1	44	-1.0	-46.24	368.44	1.72	-44.52
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194310	0	43	-1.0	-40.05	351.81	6.03	-34.02
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194310	1	43	-1.0	-40.03	351.88	6.03	-34.00
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N2C=C(Cl)C=CC2=N1	REAL300020194311	0	39	-1.0	-42.54	346.08	6.10	-36.44
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N2C=C(Cl)C=CC2=N1	REAL300020194311	1	39	-1.0	-42.54	346.15	6.11	-36.43
O=C(C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194312	0	40	-1.0	-42.05	355.48	6.81	-35.24
O=C(C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194312	1	40	-1.0	-42.07	355.55	6.82	-35.25
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=CC=C(Br)C=C21	REAL300020194313	0	36	-1.0	-40.27	325.14	6.38	-33.89
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=CC=C(Br)C=C21	REAL300020194313	1	36	-1.0	-40.29	325.21	6.40	-33.89
CC(OCC1=CC=NC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194314	0	39	-1.0	-48.96	325.12	3.88	-45.08
CC(OCC1=CC=NC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194314	1	39	-1.0	-49.00	325.19	3.89	-45.11
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020194315	0	41	-1.0	-54.44	315.20	6.28	-48.16
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020194315	1	41	-1.0	-54.46	315.27	6.28	-48.18
O=C(C1=CC2=C(F)C=CC(F)=C2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194316	0	35	-1.0	-43.76	303.24	4.09	-39.67
O=C(C1=CC2=C(F)C=CC(F)=C2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194316	1	35	-1.0	-43.73	303.17	4.09	-39.64
O=C(C1=CC2=CC=CC=C2C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194317	0	36	-1.0	-44.71	314.51	6.31	-38.40
O=C(C1=CC2=CC=CC=C2C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194317	1	36	-1.0	-44.73	314.59	6.33	-38.40
O=C(C1CCCN(C2=CC=CC=C2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194318	0	44	-1.0	-54.62	358.18	6.34	-48.28
O=C(C1CCCN(C2=CC=CC=C2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194318	1	44	-1.0	-54.66	358.25	6.36	-48.30
NC(=O)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194319	0	40	-1.0	-48.76	336.67	2.35	-46.41
NC(=O)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194319	1	40	-1.0	-48.70	336.75	2.37	-46.33
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N(C(=O)OC(C)(C)C)C1CC1	REAL300020194320	0	50	-1.0	-43.73	373.52	4.84	-38.89
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N(C(=O)OC(C)(C)C)C1CC1	REAL300020194320	1	50	-1.0	-43.75	373.59	4.86	-38.89
CN1N=CC(I)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194321	0	30	-1.0	-38.99	289.46	2.77	-36.22
CN1N=CC(I)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194321	1	30	-1.0	-38.98	289.39	2.75	-36.23
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=CC=C(C#N)C=C12	REAL300020194322	0	37	-1.0	-42.85	324.72	6.15	-36.70
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=CC=C(C#N)C=C12	REAL300020194322	1	37	-1.0	-42.88	324.80	6.17	-36.71
CC(C)(C)OC(=O)N1CCCC1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194323	0	53	-1.0	-52.07	410.25	5.70	-46.37
CC(C)(C)OC(=O)N1CCCC1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194323	1	53	-1.0	-52.07	410.32	5.70	-46.37
O=C(C1=CN2C(Br)=CN=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194324	0	30	-1.0	-39.22	292.27	4.12	-35.10
O=C(C1=CN2C(Br)=CN=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194324	1	30	-1.0	-39.20	292.19	4.11	-35.09
COCCOCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194325	0	44	-1.0	-46.16	360.45	3.53	-42.63
COCCOCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194325	1	44	-1.0	-46.13	360.53	3.54	-42.59
O=C(C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194326	0	45	-1.0	-44.46	384.90	8.15	-36.31
O=C(C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194326	1	45	-1.0	-44.48	384.97	8.16	-36.32
O=C(C1=CC=C2C(=O)CCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194327	0	39	-1.0	-44.47	314.89	5.15	-39.32
O=C(C1=CC=C2C(=O)CCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194327	1	39	-1.0	-44.51	314.96	5.16	-39.35
CC1=CC=C(Br)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194328	0	36	-1.0	-41.42	316.90	5.50	-35.92
CC1=CC=C(Br)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194328	1	36	-1.0	-41.50	316.97	5.51	-35.99
O=C(C1=CC=CC(F)=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020194329	0	30	-1.0	-44.64	278.33	4.37	-40.27
O=C(C1=CC=CC(F)=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020194329	1	30	-1.0	-44.68	278.40	4.37	-40.31
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020194330	0	41	-1.0	-43.44	346.65	4.15	-39.29
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020194330	1	41	-1.0	-43.44	346.72	4.15	-39.29
O=C(C1=CN(C2=CC=NC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194331	0	36	-1.0	-44.71	305.99	3.04	-41.67
O=C(C1=CN(C2=CC=NC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194331	1	36	-1.0	-44.77	306.06	3.04	-41.73
O=C(C1=NOC(CN2C=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194332	0	36	-1.0	-47.15	316.16	3.30	-43.85
O=C(C1=NOC(CN2C=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194332	1	36	-1.0	-47.21	316.23	3.31	-43.90
CC1=CC=C2SN=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020194333	0	35	-1.0	-43.17	304.81	4.92	-38.25
CC1=CC=C2SN=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020194333	1	35	-1.0	-43.14	304.73	4.92	-38.22
NC1=CC=CC=C1S(=O)(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194334	0	40	-1.0	-47.52	345.13	-1.24	-48.76
NC1=CC=CC=C1S(=O)(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194334	1	40	-1.0	-47.54	345.21	-1.24	-48.78
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Br)=C1	REAL300020194335	0	36	-1.0	-45.01	316.63	5.78	-39.23
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Br)=C1	REAL300020194335	1	36	-1.0	-44.99	316.70	5.80	-39.19
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(Br)=C1	REAL300020194336	0	39	-1.0	-42.37	342.58	6.65	-35.72
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(Br)=C1	REAL300020194336	1	39	-1.0	-42.35	342.65	6.67	-35.68
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194337	0	43	-1.0	-44.50	355.18	4.34	-40.16
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194337	1	43	-1.0	-44.52	355.25	4.35	-40.17
COC(=O)C12CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(CC1)CC2	REAL300020194338	0	46	-1.0	-44.98	344.44	5.08	-39.90
COC(=O)C12CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(CC1)CC2	REAL300020194338	1	46	-1.0	-44.93	344.51	5.09	-39.84
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CSC(C2=CC=CC=C2F)=N1	REAL300020194339	0	45	-1.0	-50.64	371.44	6.61	-44.03
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CSC(C2=CC=CC=C2F)=N1	REAL300020194339	1	45	-1.0	-50.68	371.37	6.61	-44.07
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC(F)=C2)CCOCC1	REAL300020194340	0	47	-1.0	-44.99	353.63	5.94	-39.05
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC(F)=C2)CCOCC1	REAL300020194340	1	47	-1.0	-44.98	353.70	5.95	-39.03
O=C(CC1=C(Br)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194341	0	30	-1.0	-42.79	290.39	4.43	-38.36
O=C(CC1=C(Br)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194341	1	30	-1.0	-42.82	290.46	4.43	-38.39
COC1=CC=CC(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194342	0	41	-1.0	-43.91	340.08	3.70	-40.21
COC1=CC=CC(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194342	1	41	-1.0	-43.94	340.16	3.71	-40.23
O=C(C1=CN=C(OC2CCCCC2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194343	0	46	-1.0	-39.86	376.69	4.62	-35.24
O=C(C1=CN=C(OC2CCCCC2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194343	1	46	-1.0	-39.83	376.61	4.62	-35.21
COC1=CC=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020194344	0	50	-1.0	-45.51	363.65	6.29	-39.22
COC1=CC=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020194344	1	50	-1.0	-45.52	363.72	6.29	-39.23
CN(C)C1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020194345	0	45	-1.0	-45.89	355.79	6.03	-39.86
CN(C)C1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020194345	1	45	-1.0	-45.87	355.86	6.06	-39.81
O=C(C1=C(NC2=CC=CN=C2)SC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194346	0	37	-1.0	-45.17	322.20	2.53	-42.64
O=C(C1=C(NC2=CC=CN=C2)SC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194346	1	37	-1.0	-45.19	322.28	2.54	-42.65
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194347	0	41	-1.0	-48.70	339.01	3.96	-44.74
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194347	1	41	-1.0	-48.72	339.09	3.97	-44.75
CN1CCC2=C(C1)C1=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300020194348	0	46	-1.0	-46.00	360.48	3.50	-42.50
CN1CCC2=C(C1)C1=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C1N2	REAL300020194348	1	46	-1.0	-46.03	360.55	3.50	-42.53
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300020194348	1	47	0.0	-77.42	363.29	5.86	-71.56
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300020194348	1	47	0.0	-77.44	363.47	5.85	-71.59
CC(C)(C)OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020194349	0	42	-1.0	-42.11	330.11	3.73	-38.38
CC(C)(C)OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020194349	1	42	-1.0	-42.06	330.04	3.72	-38.34
O=C(C1=CNC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194350	0	31	-1.0	-46.57	278.23	2.50	-44.07
O=C(C1=CNC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194350	1	31	-1.0	-46.54	278.30	2.52	-44.02
CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020194351	0	54	-1.0	-39.80	394.05	6.34	-33.46
CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020194351	1	54	-1.0	-39.83	394.12	6.35	-33.48
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020194352	0	50	-1.0	-48.58	372.78	5.35	-43.23
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020194352	1	50	-1.0	-48.54	372.85	5.37	-43.17
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020194353	0	35	-1.0	-45.92	318.94	5.27	-40.65
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020194353	1	35	-1.0	-45.96	319.01	5.28	-40.68
CC1=CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020194354	0	38	-1.0	-43.58	317.33	5.54	-38.04
CC1=CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020194354	1	38	-1.0	-43.56	317.26	5.52	-38.04
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N1C	REAL300020194355	0	37	-1.0	-42.65	307.10	3.67	-38.98
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N1C	REAL300020194355	1	37	-1.0	-42.62	307.18	3.68	-38.94
CCS(=O)(=O)NC(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194356	0	37	-1.0	-47.53	314.99	-1.43	-48.96
CCS(=O)(=O)NC(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194356	1	37	-1.0	-47.57	315.07	-1.42	-48.99
O=C(C1=CC(=O)NC(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194357	0	36	-1.0	-45.92	304.29	2.74	-43.18
O=C(C1=CC(=O)NC(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194357	1	36	-1.0	-45.86	304.36	2.76	-43.10
CC1=CC(=O)NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020194358	0	39	-1.0	-49.75	319.54	3.14	-46.61
CC1=CC(=O)NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020194358	1	39	-1.0	-49.79	319.61	3.16	-46.63
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2Br)CC1	REAL300020194359	0	40	-1.0	-45.74	334.33	6.44	-39.30
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2Br)CC1	REAL300020194359	1	40	-1.0	-45.71	334.40	6.47	-39.24
CS(=O)(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020194360	0	40	-1.0	-44.25	310.30	-1.30	-45.55
CS(=O)(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020194360	1	40	-1.0	-44.28	310.37	-1.29	-45.57
O=C(CC1=CC=CC(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194361	0	33	-1.0	-46.11	302.35	5.30	-40.81
O=C(CC1=CC=CC(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194361	1	33	-1.0	-46.11	302.43	5.31	-40.80
CCC1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN1C(=O)OC(C)(C)C	REAL300020194362	0	53	-1.0	-48.67	400.22	5.17	-43.50
CCC1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN1C(=O)OC(C)(C)C	REAL300020194362	1	53	-1.0	-48.69	400.29	5.18	-43.51
CC(C)OC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020194363	0	43	-1.0	-44.68	346.52	6.21	-38.47
CC(C)OC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020194363	1	43	-1.0	-44.68	346.60	6.22	-38.46
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C2OCOC2=C1	REAL300020194364	0	42	-1.0	-42.92	327.39	4.43	-38.49
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C2OCOC2=C1	REAL300020194364	1	42	-1.0	-42.90	327.46	4.45	-38.45
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194365	0	34	-1.0	-39.28	312.82	2.87	-36.41
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194365	1	34	-1.0	-39.30	312.89	2.88	-36.42
O=C(C1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194366	0	32	-1.0	-45.47	315.47	5.87	-39.60
O=C(C1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194366	1	32	-1.0	-45.48	315.54	5.88	-39.60
O=C(C1=CC=C(C2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194367	0	43	-1.0	-43.06	334.17	6.76	-36.30
O=C(C1=CC=C(C2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194367	1	43	-1.0	-43.09	334.25	6.77	-36.32
O=C(C1CCN(C2=CC=CC=C2Cl)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194368	0	42	-1.0	-45.63	347.86	5.15	-40.48
O=C(C1CCN(C2=CC=CC=C2Cl)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194368	1	42	-1.0	-45.64	347.93	5.16	-40.48
CC1=CC=C2SC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020194369	0	36	-1.0	-42.13	310.59	5.82	-36.31
CC1=CC=C2SC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020194369	1	36	-1.0	-42.16	310.67	5.83	-36.33
O=C(CCCC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020194370	0	39	-1.0	-45.49	336.32	6.72	-38.77
O=C(CCCC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194370	1	39	-1.0	-45.45	336.39	6.74	-38.71
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194371	0	45	-1.0	-60.75	360.08	5.74	-55.01
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194371	1	45	-1.0	-60.79	360.15	5.75	-55.04
O=C(COC1=CC(F)=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194372	0	34	-1.0	-45.15	302.47	4.81	-40.34
O=C(COC1=CC(F)=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194372	1	34	-1.0	-45.16	302.54	4.83	-40.33
O=C(C1CCN(C2=CC=CC=C2F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194373	0	42	-1.0	-47.11	338.12	4.47	-42.64
O=C(C1CCN(C2=CC=CC=C2F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194373	1	42	-1.0	-47.16	338.19	4.47	-42.69
COC(=O)CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=CO1	REAL300020194374	0	39	-1.0	-44.44	333.92	4.09	-40.35
COC(=O)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=CO1	REAL300020194374	1	39	-1.0	-44.42	333.99	4.10	-40.32
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CN=C2)CCCC1	REAL300020194375	0	42	-1.0	-46.12	319.88	4.52	-41.60
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CN=C2)CCCC1	REAL300020194375	1	42	-1.0	-46.09	319.80	4.50	-41.59
O=C(C1=CC=C(C2=CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194376	0	41	-1.0	-43.08	330.74	6.88	-36.20
O=C(C1=CC=C(C2=CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194376	1	41	-1.0	-43.07	330.81	6.89	-36.18
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020194377	0	42	-1.0	-43.18	333.51	6.08	-37.10
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020194377	1	42	-1.0	-43.23	333.58	6.09	-37.14
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194378	0	51	-1.0	-49.39	412.28	8.88	-40.51
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194378	1	51	-1.0	-49.37	412.35	8.89	-40.48
O=C(C1=CON=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194379	0	29	-1.0	-46.45	264.02	2.19	-44.26
O=C(C1=CON=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194379	1	29	-1.0	-46.41	263.95	2.17	-44.24
CN(C)C1=NC(N)=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020194380	0	37	-1.0	-44.36	311.79	5.26	-39.10
CN(C)C1=NC(N)=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020194380	1	37	-1.0	-44.35	311.71	5.24	-39.11
C=CC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)(C2=CC=CC=C2)CC1	REAL300020194381	0	51	-1.0	-45.94	384.69	6.07	-39.87
C=CC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)(C2=CC=CC=C2)CC1	REAL300020194381	1	51	-1.0	-45.96	384.76	6.07	-39.89
O=C(NC1=CC=CC=C1)N1CCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194382	0	46	-1.0	-57.10	370.96	4.91	-52.19
O=C(NC1=CC=CC=C1)N1CCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194382	1	46	-1.0	-57.15	371.03	4.91	-52.24
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL300020194383	0	41	-1.0	-49.53	324.13	2.01	-47.52
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL300020194383	1	41	-1.0	-49.58	324.20	2.02	-47.56
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Cl)C=N1	REAL300020194384	0	35	-1.0	-46.55	325.29	-0.15	-46.70
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Cl)C=N1	REAL300020194384	1	35	-1.0	-46.54	325.22	-0.16	-46.70
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194385	0	39	-1.0	-52.67	339.87	3.79	-48.88
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194385	1	39	-1.0	-52.66	339.95	3.79	-48.87
CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194386	0	57	-1.0	-49.46	436.80	7.09	-42.37
CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194386	1	57	-1.0	-49.48	436.87	7.09	-42.39
CSCC1=CC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194387	0	36	-1.0	-44.56	308.79	4.62	-39.94
CSCC1=CC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194387	1	36	-1.0	-44.57	308.71	4.61	-39.96
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194388	0	52	-1.0	-45.35	399.03	2.89	-42.46
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194388	1	52	-1.0	-45.35	399.10	2.90	-42.45
CN(C)S(=O)(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194389	0	36	-1.0	-48.20	311.92	-2.34	-50.54
CN(C)S(=O)(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194389	1	36	-1.0	-48.22	312.00	-2.33	-50.55
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Br)S1	REAL300020194390	0	29	-1.0	-42.66	279.67	2.88	-39.78
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Br)S1	REAL300020194390	1	29	-1.0	-42.66	279.74	2.89	-39.77
O=C(C1=CN=C2NC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194391	0	33	-1.0	-44.31	280.65	-0.37	-44.68
O=C(C1=CN=C2NC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194391	1	33	-1.0	-44.34	280.72	-0.36	-44.70
O=C(C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194392	0	38	-1.0	-41.02	338.61	6.18	-34.84
O=C(C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194392	1	38	-1.0	-40.98	338.53	6.17	-34.81
CCOC(=O)NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=CS1	REAL300020194393	0	37	-1.0	-42.54	325.55	1.12	-41.42
CCOC(=O)NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=CS1	REAL300020194393	1	37	-1.0	-42.54	325.63	1.13	-41.41
O=C(C1=CC=NC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194394	0	32	-1.0	-44.04	285.01	2.87	-41.17
O=C(C1=CC=NC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194394	1	32	-1.0	-44.02	284.93	2.86	-41.16
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)(C)O	REAL300020194395	0	50	-1.0	-41.64	380.19	-0.19	-41.83
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)(C)O	REAL300020194395	1	50	-1.0	-41.62	380.26	-0.18	-41.80
CS(=O)(=O)C1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020194396	0	34	-1.0	-48.11	306.40	-1.76	-49.87
CS(=O)(=O)C1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020194396	1	34	-1.0	-48.06	306.32	-1.76	-49.82
CC1=CSC(NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020194397	0	41	-1.0	-45.33	347.01	4.58	-40.75
CC1=CSC(NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020194397	1	41	-1.0	-45.33	346.94	4.57	-40.76
NC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NC(N2CCOCC2)=N1	REAL300020194398	0	42	-1.0	-44.08	344.24	3.08	-41.00
NC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NC(N2CCOCC2)=N1	REAL300020194398	1	42	-1.0	-44.08	344.17	3.08	-41.00
O=C(C1=CN=C(OCC(F)F)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194399	0	35	-1.0	-42.89	311.59	0.62	-42.27
O=C(C1=CN=C(OCC(F)F)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194399	1	35	-1.0	-42.89	311.52	0.61	-42.28
CC1=CC=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020194400	0	46	-1.0	-42.17	335.38	6.61	-35.56
CC1=CC=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020194400	1	46	-1.0	-42.18	335.45	6.62	-35.56
O=C(C1=CN(C2CCOCC2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194401	0	40	-1.0	-42.47	326.81	1.37	-41.10
O=C(C1=CN(C2CCOCC2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194401	1	40	-1.0	-42.48	326.74	1.36	-41.12
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194402	0	44	-1.0	-53.51	357.98	0.70	-52.81
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194402	1	44	-1.0	-53.54	358.06	0.71	-52.83
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194403	0	49	-1.0	-43.80	387.86	3.57	-40.23
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194403	1	49	-1.0	-43.78	387.93	3.58	-40.20
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300020194404	0	44	-1.0	-48.61	339.35	2.96	-45.65
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300020194404	1	44	-1.0	-48.56	339.42	2.98	-45.58
CN1C=C(C2=NC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020194405	0	39	-1.0	-51.13	328.25	3.09	-48.04
CN1C=C(C2=NC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020194405	1	39	-1.0	-51.18	328.18	3.09	-48.09
O=C(C1=CNC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194406	0	37	-1.0	-45.53	315.52	4.83	-40.70
O=C(C1=CNC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194406	1	37	-1.0	-45.51	315.59	4.85	-40.66
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC(=O)C1	REAL300020194407	0	39	-1.0	-47.29	316.85	4.99	-42.30
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC(=O)C1	REAL300020194407	1	39	-1.0	-47.31	316.92	5.02	-42.29
CC1=CC=CC(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194408	0	33	-1.0	-44.48	299.37	4.98	-39.50
CC1=CC=CC(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194408	1	33	-1.0	-44.49	299.44	4.99	-39.50
O=C(C1=NC2=CC=CC=C2C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194409	0	35	-1.0	-44.45	308.39	5.41	-39.04
O=C(C1=NC2=CC=CC=C2C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020194409	1	35	-1.0	-44.40	308.32	5.41	-38.99
O=C(C1=CC(C(F)(F)F)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194410	0	29	-1.0	-36.84	273.45	2.35	-34.49
O=C(C1=CC(C(F)(F)F)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194410	1	29	-1.0	-36.85	273.38	2.33	-34.52
O=C(C1=NC2=CN=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194411	0	31	-1.0	-40.85	283.21	2.17	-38.68
O=C(C1=NC2=CN=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194411	1	31	-1.0	-40.88	283.14	2.16	-38.72
CCOC(=O)C(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)=O	REAL300020194412	0	40	-1.0	-43.94	339.37	3.93	-40.01
CCOC(=O)C(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)=O	REAL300020194412	1	40	-1.0	-43.98	339.45	3.95	-40.03
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194413	0	47	0.0	-60.58	358.96	6.22	-54.36
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194413	1	47	0.0	-60.63	359.04	6.23	-54.40
COC1=C(Cl)C=C2NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020194414	0	38	-1.0	-50.30	327.94	3.49	-46.81
COC1=C(Cl)C=C2NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020194414	1	38	-1.0	-50.28	328.01	3.49	-46.79
O=C(C1CC(C2=CC=CC=C2)OC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194415	0	40	-1.0	-49.28	336.59	6.09	-43.19
O=C(C1CC(C2=CC=CC=C2)OC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194415	1	40	-1.0	-49.31	336.66	6.10	-43.21
CC(C)(C)OC(=O)NC(C)(C)C1=NOC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194416	0	52	-1.0	-45.50	396.50	2.71	-42.79
CC(C)(C)OC(=O)NC(C)(C)C1=NOC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194416	1	52	-1.0	-45.47	396.42	2.71	-42.76
CC1=C2SC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=CC=C1	REAL300020194417	0	36	-1.0	-42.48	309.51	5.78	-36.70
CC1=C2SC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=CC=C1	REAL300020194417	1	36	-1.0	-42.51	309.58	5.78	-36.73
CN1N=NC(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194418	0	29	-1.0	-38.99	277.83	0.82	-38.17
CN1N=NC(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194418	1	29	-1.0	-38.94	277.76	0.80	-38.14
O=C(C1=C(F)C=C(C(F)(F)F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194419	0	33	-1.0	-42.14	311.05	5.02	-37.12
O=C(C1=C(F)C=C(C(F)(F)F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194419	1	33	-1.0	-42.18	311.13	5.03	-37.15
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194420	0	46	0.0	-66.55	354.93	6.67	-59.88
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194420	1	46	0.0	-65.77	356.78	6.74	-59.03
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194420	1	46	0.0	-66.58	355.00	6.69	-59.89
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194420	1	46	0.0	-65.77	356.85	6.76	-59.01
O=C(C1=NC=C(Br)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194421	0	26	-1.0	-41.48	259.37	1.54	-39.94
O=C(C1=NC=C(Br)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194421	1	26	-1.0	-41.49	259.29	1.53	-39.96
O=C(C1=CC=CC2=C1NC(=O)C=C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194422	0	36	-1.0	-53.88	302.65	2.99	-50.89
O=C(C1=CC=CC2=C1NC(=O)C=C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194422	1	36	-1.0	-53.83	302.73	3.00	-50.83
O=C(CCOC1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194423	0	43	-1.0	-43.98	356.62	6.68	-37.30
O=C(CCOC1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194423	1	43	-1.0	-44.01	356.70	6.69	-37.32
O=C(C1=CC=CC=C1S(=O)(=O)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194424	0	36	-1.0	-48.74	321.65	3.70	-45.04
O=C(C1=CC=CC=C1S(=O)(=O)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194424	1	36	-1.0	-48.70	321.72	3.72	-44.98
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194425	0	49	-1.0	-40.68	372.78	3.11	-37.57
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194425	1	49	-1.0	-40.63	372.86	3.12	-37.51
COCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020194426	0	54	-1.0	-52.77	410.32	3.18	-49.59
COCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020194426	1	54	-1.0	-52.77	410.40	3.19	-49.58
O=C(C1=NC2=CC=CC=C2C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020194427	0	35	-1.0	-44.13	312.12	5.52	-38.61
O=C(C1=NC2=CC=CC=C2C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020194427	1	35	-1.0	-44.14	312.05	5.51	-38.63
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194428	0	43	-1.0	-46.62	361.73	7.75	-38.87
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194428	1	43	-1.0	-46.64	361.80	7.76	-38.88
O=C(C1=CC=C2NC(=O)CSC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194429	0	36	-1.0	-46.75	310.04	2.58	-44.17
O=C(C1=CC=C2NC(=O)CSC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194429	1	36	-1.0	-46.78	310.11	2.59	-44.19
CCCC1=NN=C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)N1N	REAL300020194430	0	41	-1.0	-44.32	357.63	3.85	-40.47
CCCC1=NN=C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)N1N	REAL300020194430	1	41	-1.0	-44.33	357.70	3.85	-40.48
CC1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020194431	0	53	-1.0	-50.63	388.37	5.81	-44.82
CC1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020194431	1	53	-1.0	-50.62	388.44	5.82	-44.80
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300020194432	0	43	-1.0	-41.72	325.71	5.32	-36.40
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300020194432	1	43	-1.0	-41.71	325.79	5.32	-36.39
CC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020194433	0	38	-1.0	-48.63	324.94	5.96	-42.67
CC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020194433	1	38	-1.0	-48.64	325.02	5.97	-42.67
CC1(C)COC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020194434	0	41	-1.0	-43.26	326.75	4.52	-38.74
CC1(C)COC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020194434	1	41	-1.0	-43.26	326.82	4.54	-38.72
CC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=N1	REAL300020194435	0	35	-1.0	-48.52	311.26	3.93	-44.59
CC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=N1	REAL300020194435	1	35	-1.0	-48.53	311.33	3.95	-44.58
COC1=CC=CC(CC2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCCC2)=C1	REAL300020194436	0	53	-1.0	-50.84	382.76	7.12	-43.72
COC1=CC=CC(CC2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCCC2)=C1	REAL300020194436	1	53	-1.0	-50.87	382.83	7.13	-43.74
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O=C(C1=CN=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194465	1	32	-1.0	-39.85	284.11	2.81	-37.04
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O=C(C1=CC=C2N=CN(C3=CC=C(Cl)C=C3)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194467	0	43	-1.0	-46.62	373.51	8.71	-37.91
O=C(C1=CC=C2N=CN(C3=CC=C(Cl)C=C3)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194467	1	43	-1.0	-46.62	373.43	8.70	-37.92
O=C(C1=CC(Cl)=NC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020194468	0	29	-1.0	-39.56	284.64	2.98	-36.58
O=C(C1=CC(Cl)=NC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020194468	1	29	-1.0	-39.54	284.56	2.97	-36.57
O=C(C1=CC2=C(N1)SC(Cl)=C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194469	0	31	-1.0	-40.11	291.72	3.77	-36.34
O=C(C1=CC2=C(N1)SC(Cl)=C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194469	1	31	-1.0	-40.14	291.80	3.79	-36.35
COC(C)(C)C1=NC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020194470	0	42	-1.0	-40.85	343.28	2.43	-38.42
COC(C)(C)C1=NC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020194470	1	42	-1.0	-40.87	343.36	2.44	-38.43
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194471	0	36	-1.0	-48.88	323.02	3.57	-45.31
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194471	1	36	-1.0	-48.86	323.09	3.58	-45.28
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194472	0	36	-1.0	-48.47	339.31	4.09	-44.38
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194472	1	36	-1.0	-48.40	339.39	4.10	-44.30
O=C([C@@H]1C[C@H]1C1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194473	0	37	-1.0	-48.35	313.66	6.12	-42.23
O=C([C@@H]1C[C@H]1C1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194473	1	37	-1.0	-48.36	313.73	6.12	-42.24
O=C([C@@H]1C[C@H]1C1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194474	0	37	-1.0	-42.05	329.26	6.69	-35.36
O=C([C@@H]1C[C@H]1C1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194474	1	37	-1.0	-42.04	329.34	6.70	-35.34
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194475	0	51	-1.0	-49.39	412.28	8.88	-40.51
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194475	1	51	-1.0	-49.37	412.35	8.89	-40.48
CC(C)(C)OC(=O)NCCC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194476	0	53	-1.0	-47.67	418.75	4.83	-42.84
CC(C)(C)OC(=O)NCCC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194476	1	53	-1.0	-47.63	418.82	4.84	-42.79
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=NC2=C(N)N=CN=C21	REAL300020194477	0	39	-1.0	-39.94	328.66	3.37	-36.57
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=NC2=C(N)N=CN=C21	REAL300020194477	1	39	-1.0	-39.96	328.73	3.38	-36.58
O=C(CC(C1=CC=C(O)C=C1)C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194478	0	44	-1.0	-43.40	358.29	4.64	-38.76
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O=C(C1CCC2=NN=NN2CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194479	0	38	-1.0	-54.50	307.26	2.23	-52.27
O=C(C1CCC2=NN=NN2CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194479	1	38	-1.0	-54.44	307.33	2.24	-52.20
CC1(C2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)OCCO1	REAL300020194480	0	38	-1.0	-43.15	327.61	1.23	-41.92
CC1(C2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)OCCO1	REAL300020194480	1	38	-1.0	-43.18	327.53	1.23	-41.95
O=C(CCCC(O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194481	0	43	-1.0	-46.38	352.23	4.01	-42.37
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CC(C)(C)OC(=O)NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC=C1	REAL300020194482	0	44	-1.0	-43.54	354.59	2.47	-41.07
CC(C)(C)OC(=O)NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC=C1	REAL300020194482	1	44	-1.0	-43.53	354.66	2.47	-41.06
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COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194484	0	41	-1.0	-46.74	337.60	5.38	-41.36
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194484	1	41	-1.0	-46.79	337.68	5.39	-41.40
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O=C(C1=CC=CC=C1NCC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194486	1	45	-1.0	-44.35	381.83	7.05	-37.30
O=C(C1=CC=C(I)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194487	0	29	-1.0	-39.85	277.52	3.83	-36.02
O=C(C1=CC=C(I)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194487	1	29	-1.0	-39.84	277.45	3.82	-36.02
CC(C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C(F)(F)F	REAL300020194488	0	39	-1.0	-43.80	325.01	5.74	-38.06
CC(C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)(F)F	REAL300020194488	1	39	-1.0	-43.80	325.08	5.75	-38.05
CC1=NC2=CC=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194489	0	38	-1.0	-42.97	313.31	4.69	-38.28
CC1=NC2=CC=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194489	1	38	-1.0	-43.03	313.38	4.69	-38.34
CC1=CC=C(OC2=CC=CC=C2CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194490	0	47	-1.0	-46.72	388.87	8.23	-38.49
CC1=CC=C(OC2=CC=CC=C2CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194490	1	47	-1.0	-46.75	388.95	8.24	-38.51
O=C(C1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194491	0	43	-1.0	-49.33	363.75	3.57	-45.76
O=C(C1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194491	1	43	-1.0	-49.32	363.82	3.58	-45.74
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194492	0	43	-1.0	-44.16	341.34	6.17	-37.99
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194492	1	43	-1.0	-44.16	341.41	6.18	-37.98
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020194493	0	38	-1.0	-56.33	339.87	2.81	-53.52
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020194493	1	38	-1.0	-56.30	339.94	2.81	-53.49
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020194494	0	35	-1.0	-47.21	314.60	6.37	-40.84
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020194494	1	35	-1.0	-47.25	314.67	6.38	-40.87
O=C([C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194495	0	40	-1.0	-49.42	341.40	6.88	-42.54
O=C([C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194495	1	40	-1.0	-49.40	341.48	6.89	-42.51
O=C([C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194496	0	40	-1.0	-43.45	346.74	7.08	-36.37
O=C([C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194496	1	40	-1.0	-43.47	346.82	7.10	-36.37
O=C(CC1CS(=O)(=O)C2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194497	0	41	-1.0	-55.14	352.00	2.41	-52.73
O=C(CC1CS(=O)(=O)C2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194497	1	41	-1.0	-55.16	352.07	2.42	-52.74
O=C(COCC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194498	0	37	-1.0	-47.78	331.93	5.69	-42.09
O=C(COCC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194498	1	37	-1.0	-47.80	332.01	5.70	-42.10
CC1=CC=C(OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2)C=C1	REAL300020194499	0	43	-1.0	-41.44	359.78	6.30	-35.14
CC1=CC=C(OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2)C=C1	REAL300020194499	1	43	-1.0	-41.43	359.71	6.29	-35.14
O=C(C1=CC(Br)=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194500	0	27	-1.0	-40.72	259.04	2.70	-38.02
O=C(C1=CC(Br)=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194500	1	27	-1.0	-40.71	259.11	2.71	-38.00
CC1=CC(OCC2=CC=CC=C2)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020194501	0	44	-1.0	-49.64	373.94	7.81	-41.83
CC1=CC(OCC2=CC=CC=C2)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020194501	1	44	-1.0	-49.65	374.01	7.81	-41.84
O=C(C1=CC=C(NC2=NC=CS2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194502	0	38	-1.0	-46.44	335.67	4.22	-42.22
O=C(C1=CC=C(NC2=NC=CS2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194502	1	38	-1.0	-46.42	335.60	4.20	-42.22
O=C(C1=CC=C(OC2=CC=CC(F)=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194503	0	40	-1.0	-41.20	344.79	5.68	-35.52
O=C(C1=CC=C(OC2=CC=CC(F)=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194503	1	40	-1.0	-41.25	344.71	5.67	-35.58
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1NC(N)=O	REAL300020194504	0	40	-1.0	-50.93	331.54	0.64	-50.29
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1NC(N)=O	REAL300020194504	1	40	-1.0	-50.95	331.62	0.65	-50.30
CCON1CCC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194505	0	45	-1.0	-43.98	345.94	3.11	-40.87
CCON1CCC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194505	1	45	-1.0	-44.02	346.01	3.12	-40.90
CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020194506	0	43	-1.0	-41.86	359.31	6.29	-35.57
CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020194506	1	43	-1.0	-41.87	359.24	6.29	-35.58
O=C(CC1=CC=CC=C1OC1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194507	0	47	-1.0	-45.29	374.11	7.03	-38.26
O=C(CC1=CC=CC=C1OC1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194507	1	47	-1.0	-45.22	374.18	7.04	-38.18
O=C(C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194508	0	40	-1.0	-40.85	355.11	6.13	-34.72
O=C(C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194508	1	40	-1.0	-40.82	355.03	6.12	-34.70
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020194509	0	41	-1.0	-45.22	356.76	5.62	-39.60
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020194509	1	41	-1.0	-45.25	356.83	5.64	-39.61
CC1=CC=CC(OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2)=C1	REAL300020194510	0	43	-1.0	-41.43	359.78	6.29	-35.14
CC1=CC=CC(OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2)=C1	REAL300020194510	1	43	-1.0	-41.40	359.71	6.28	-35.12
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194511	0	42	-1.0	-41.40	337.25	6.30	-35.10
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194511	1	42	-1.0	-41.40	337.32	6.32	-35.08
O=C(C1=C(N2C=CN=N2)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194512	0	33	-1.0	-55.27	293.54	2.99	-52.28
O=C(C1=C(N2C=CN=N2)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194512	1	33	-1.0	-55.27	293.47	2.98	-52.29
CC(C)(C)OC(=O)NCC1OCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194513	0	51	-1.0	-53.04	396.01	1.62	-51.42
CC(C)(C)OC(=O)NCC1OCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194513	1	51	-1.0	-53.02	396.09	1.62	-51.40
CC1=CC(C(=O)OC(C)(C)C)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194514	0	48	-1.0	-48.37	380.96	6.93	-41.44
CC1=CC(C(=O)OC(C)(C)C)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194514	1	48	-1.0	-48.39	381.03	6.94	-41.45
O=C(C=CC1=CC=C(C2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194515	0	41	-1.0	-43.48	339.07	7.33	-36.15
O=C(C=CC1=CC=C(C2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194515	1	41	-1.0	-43.52	339.14	7.35	-36.17
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194516	0	37	-1.0	-42.95	329.25	6.71	-36.24
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194516	1	37	-1.0	-42.94	329.33	6.71	-36.23
CC1=CC(Br)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020194517	0	30	-1.0	-42.48	281.82	4.14	-38.34
CC1=CC(Br)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020194517	1	30	-1.0	-42.48	281.89	4.14	-38.34
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194518	0	50	-1.0	-43.51	384.64	3.79	-39.72
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194518	1	50	-1.0	-43.48	384.72	3.80	-39.68
COC(=O)C1=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)OC=N1	REAL300020194519	0	38	-1.0	-48.78	330.72	0.89	-47.89
COC(=O)C1=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)OC=N1	REAL300020194519	1	38	-1.0	-48.75	330.64	0.88	-47.87
O=C(C1=C(Br)N=C2CCCCN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194520	0	37	-1.0	-44.54	325.20	4.53	-40.01
O=C(C1=C(Br)N=C2CCCCN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194520	1	37	-1.0	-44.58	325.27	4.54	-40.04
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194521	0	41	-1.0	-41.63	354.72	5.51	-36.12
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194521	1	41	-1.0	-41.62	354.79	5.53	-36.09
O=C(C1C[NH+](C2CCCCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194522	0	46	0.0	-62.72	347.60	5.83	-56.89
O=C(C1C[NH+](C2CCCCC2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194522	1	46	0.0	-62.75	347.67	5.84	-56.91
NS(=O)(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020194523	0	32	-1.0	-48.39	290.16	-1.16	-49.55
NS(=O)(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020194523	1	32	-1.0	-48.40	290.23	-1.14	-49.54
COC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(N)(=O)=O	REAL300020194524	0	43	-1.0	-53.74	372.17	-0.00	-53.74
COC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(N)(=O)=O	REAL300020194524	1	43	-1.0	-53.83	372.24	0.02	-53.81
CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194525	0	50	-1.0	-45.80	394.72	-1.15	-46.95
CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194525	1	50	-1.0	-45.78	394.80	-1.14	-46.92
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194526	0	35	-2.0	-98.10	314.71	-2.37	-100.47
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194526	1	35	-2.0	-98.06	314.78	-2.37	-100.43
NS(=O)(=O)C1=CC=C(O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194526	1	36	-1.0	-49.89	318.35	-3.31	-53.20
NS(=O)(=O)C1=CC=C(O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194526	1	36	-1.0	-49.90	318.42	-3.31	-53.21
NS(=O)(=O)C1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194527	0	39	-1.0	-52.86	343.86	-0.37	-53.23
NS(=O)(=O)C1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194527	1	39	-1.0	-52.91	343.94	-0.35	-53.26
NS(=O)(=O)C1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194528	0	39	-1.0	-50.72	353.46	0.20	-50.52
NS(=O)(=O)C1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194528	1	39	-1.0	-50.71	353.53	0.22	-50.49
CC(C)(C)N1C=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020195529	0	42	-1.0	-59.34	335.79	4.54	-54.80
CC(C)(C)N1C=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020195529	1	42	-1.0	-59.33	335.86	4.54	-54.79
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195530	0	38	-1.0	-42.13	328.14	5.10	-37.03
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195530	1	38	-1.0	-42.13	328.22	5.11	-37.02
CC1=CSC2=NC(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CN12	REAL300020195531	0	36	-1.0	-56.01	318.63	5.14	-50.87
CC1=CSC2=NC(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CN12	REAL300020195531	1	36	-1.0	-56.00	318.70	5.15	-50.85
O=C(CN1C=NC=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195532	0	40	-1.0	-48.64	332.40	6.80	-41.84
O=C(CN1C=NC=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195532	1	40	-1.0	-48.63	332.48	6.81	-41.82
O=C(C1=CC(Br)=CN2C=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195533	0	33	-1.0	-48.68	308.65	5.18	-43.50
O=C(C1=CC(Br)=CN2C=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195533	1	33	-1.0	-48.67	308.58	5.18	-43.49
O=C(C1=CC=CN(C2CC2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195534	0	37	-1.0	-60.66	312.65	4.15	-56.51
O=C(C1=CC=CN(C2CC2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195534	1	37	-1.0	-60.66	312.72	4.16	-56.50
O=C(CN1CCCCC(=O)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195535	0	39	-1.0	-49.73	317.68	2.89	-46.84
O=C(CN1CCCCC(=O)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195535	1	39	-1.0	-49.67	317.75	2.91	-46.76
O=C(C1CC2CCCCC(C1)C2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195536	0	45	-1.0	-44.99	333.07	5.12	-39.87
O=C(C1CC2CCCCC(C1)C2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195536	1	45	-1.0	-45.03	333.15	5.13	-39.90
C[C@@H]1C[C@H](C(F)(F)F)N2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2N1	REAL300020195537	0	42	-1.0	-45.67	346.90	3.10	-42.57
C[C@@H]1C[C@H](C(F)(F)F)N2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2N1	REAL300020195537	1	42	-1.0	-45.72	346.83	3.10	-42.62
CC(C)(C)OC(=O)NC(CO)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195538	0	44	-1.0	-39.18	354.72	-1.71	-40.89
CC(C)(C)OC(=O)NC(CO)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195538	1	44	-1.0	-39.18	354.80	-1.69	-40.87
O=C(CC1=NC(F)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195539	0	32	-1.0	-44.77	293.77	2.91	-41.86
O=C(CC1=NC(F)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195539	1	32	-1.0	-44.74	293.85	2.93	-41.81
C=CC(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195540	0	38	-1.0	-46.86	318.28	3.01	-43.85
C=CC(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195540	1	38	-1.0	-46.86	318.35	3.03	-43.83
O=C(C1=CC=CC=C1NCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195541	0	38	-1.0	-45.04	326.80	4.00	-41.04
O=C(C1=CC=CC=C1NCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195541	1	38	-1.0	-45.07	326.87	4.01	-41.06
O=C(C1=CC=C(Cl)C=C1NCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195542	0	38	-1.0	-42.48	343.28	4.54	-37.94
O=C(C1=CC=C(Cl)C=C1NCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195542	1	38	-1.0	-42.46	343.35	4.54	-37.92
NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020195543	0	41	-1.0	-54.15	336.73	0.74	-53.41
NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020195543	1	41	-1.0	-54.15	336.81	0.74	-53.41
CCC1=CC2=C(SC=C2CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195544	0	39	-1.0	-45.25	351.70	6.79	-38.46
CCC1=CC2=C(SC=C2CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195544	1	39	-1.0	-45.22	351.77	6.79	-38.43
O=C(C1=CC(C(F)(F)F)=NC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195545	0	31	-1.0	-39.35	285.48	3.64	-35.71
O=C(C1=CC(C(F)(F)F)=NC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195545	1	31	-1.0	-39.27	285.41	3.62	-35.65
O=C(C1C2CC3=CC=C(Br)C=C3C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195546	0	38	-1.0	-45.12	327.90	7.12	-38.00
O=C(C1C2CC3=CC=C(Br)C=C3C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195546	1	38	-1.0	-45.11	327.97	7.12	-37.99
O=C(CC1=COC2=C(Cl)C(Cl)=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195547	0	36	-1.0	-47.16	340.43	6.11	-41.05
O=C(CC1=COC2=C(Cl)C(Cl)=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195547	1	36	-1.0	-47.12	340.50	6.11	-41.01
O=C(CCCOC1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195548	0	44	-1.0	-46.90	350.84	2.86	-44.04
O=C(CCCOC1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195548	1	44	-1.0	-46.85	350.91	2.88	-43.97
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195549	0	44	-1.0	-56.25	348.44	2.67	-53.58
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195549	1	44	-1.0	-56.23	348.51	2.67	-53.56
CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195550	0	48	-1.0	-47.44	395.45	3.25	-44.19
CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195550	1	48	-1.0	-47.49	395.53	3.27	-44.22
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195551	0	53	-1.0	-44.59	402.35	4.49	-40.10
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195551	1	53	-1.0	-44.54	402.42	4.51	-40.03
O=C(CCC1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195552	0	48	-1.0	-56.09	398.74	4.09	-52.00
O=C(CCC1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195552	1	48	-1.0	-56.10	398.81	4.09	-52.01
CCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CC2)=N1	REAL300020195553	0	40	-1.0	-47.16	326.20	4.44	-42.72
CCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CC2)=N1	REAL300020195553	1	40	-1.0	-47.19	326.27	4.46	-42.73
CC1=CC2=C(SC=C2CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195554	0	36	-1.0	-45.57	330.21	6.01	-39.56
CC1=CC2=C(SC=C2CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195554	1	36	-1.0	-45.57	330.29	6.02	-39.55
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195555	0	47	-1.0	-44.89	373.40	2.81	-42.08
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195555	1	47	-1.0	-44.86	373.47	2.81	-42.05
C[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020195556	0	46	-1.0	-50.20	366.59	2.81	-47.39
C[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020195556	1	46	-1.0	-50.22	366.66	2.82	-47.40
CC(C)(C)OC(=O)N(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)CC1CC1	REAL300020195557	0	53	-1.0	-45.23	420.61	6.74	-38.49
CC(C)(C)OC(=O)N(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)CC1CC1	REAL300020195557	1	53	-1.0	-45.22	420.69	6.74	-38.48
CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020195558	0	54	-1.0	-55.88	414.08	5.87	-50.01
CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020195558	1	54	-1.0	-55.88	414.16	5.87	-50.01
CC(C)(C)OC(=O)NC1=CC(F)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195559	0	47	-1.0	-42.87	379.26	4.41	-38.46
CC(C)(C)OC(=O)NC1=CC(F)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195559	1	47	-1.0	-42.91	379.33	4.41	-38.50
O=C([C@@H]1CCCC[C@H]1C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195560	0	46	-1.0	-45.83	374.79	8.03	-37.80
O=C([C@@H]1CCCC[C@H]1C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195560	1	46	-1.0	-45.79	374.86	8.03	-37.76
O=C(C1=CC=C(I)C=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195561	0	31	-1.0	-41.40	291.92	2.87	-38.53
O=C(C1=CC=C(I)C=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195561	1	31	-1.0	-41.39	291.99	2.87	-38.52
O=C(C1=CC=C(I)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020195561	1	30	-2.0	-95.75	288.35	3.78	-91.97
O=C(C1=CC=C(I)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020195561	1	30	-2.0	-95.66	288.42	3.79	-91.87
O=C(C1=CNN=C1C1CCCO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195562	0	38	-1.0	-48.24	306.68	0.92	-47.32
O=C(C1=CNN=C1C1CCCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195562	1	38	-1.0	-48.22	306.75	0.92	-47.30
O=C(C1=C(C2CC2)NN=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195563	0	34	-1.0	-43.76	308.69	3.00	-40.76
O=C(C1=C(C2CC2)NN=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195563	1	34	-1.0	-43.77	308.77	3.01	-40.76
COC(C(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195564	0	42	-1.0	-38.70	336.82	4.21	-34.49
COC(C(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195564	1	42	-1.0	-38.75	336.90	4.22	-34.53
O=C(CCC1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195565	0	42	-1.0	-43.70	344.61	7.70	-36.00
O=C(CCC1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195565	1	42	-1.0	-43.69	344.68	7.71	-35.98
CC(CCC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195566	0	42	-1.0	-45.28	346.54	6.80	-38.48
CC(CCC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195566	1	42	-1.0	-45.33	346.62	6.80	-38.53
CC(C)(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020195567	0	42	-1.0	-42.29	332.53	6.40	-35.89
CC(C)(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020195567	1	42	-1.0	-42.23	332.60	6.41	-35.82
O=C(C1=CC2=C(Cl)N=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195568	0	32	-1.0	-42.95	300.29	3.80	-39.15
O=C(C1=CC2=C(Cl)N=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195568	1	32	-1.0	-42.92	300.21	3.80	-39.12
COCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020195569	0	37	-1.0	-41.36	308.79	3.50	-37.86
COCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020195569	1	37	-1.0	-41.38	308.86	3.52	-37.86
CCN1N=CN=C1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195570	0	42	-1.0	-47.38	339.79	6.09	-41.29
CCN1N=CN=C1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195570	1	42	-1.0	-47.34	339.71	6.07	-41.27
O=C(CN1C=CC(Br)=CC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195571	0	33	-1.0	-53.07	306.25	3.97	-49.10
O=C(CN1C=CC(Br)=CC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195571	1	33	-1.0	-53.07	306.33	3.99	-49.08
O=C(C(CC1=CC=CN=C1)C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195572	0	48	-1.0	-42.24	358.10	5.90	-36.34
O=C(C(CC1=CC=CN=C1)C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195572	1	48	-1.0	-42.16	358.02	5.90	-36.26
O=C(C1=CC2=CC=NC(Cl)=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195573	0	32	-1.0	-41.33	300.67	3.80	-37.53
O=C(C1=CC2=CC=NC(Cl)=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195573	1	32	-1.0	-41.32	300.60	3.79	-37.53
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195574	0	43	-1.0	-51.27	364.75	2.24	-49.03
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195574	1	43	-1.0	-51.22	364.82	2.25	-48.97
O=C(C1=CC=NC(N2C=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195575	0	37	-1.0	-44.94	308.49	5.71	-39.23
O=C(C1=CC=NC(N2C=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195575	1	37	-1.0	-44.91	308.41	5.70	-39.21
O=C(C1=CC=CC2=C(Br)C=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195576	0	36	-1.0	-42.68	316.25	6.47	-36.21
O=C(C1=CC=CC2=C(Br)C=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195576	1	36	-1.0	-42.67	316.33	6.47	-36.20
O=C(C1=CC=CC(OC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195577	0	40	-1.0	-44.23	340.59	4.10	-40.13
O=C(C1=CC=CC(OC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195577	1	40	-1.0	-44.23	340.52	4.10	-40.13
CCOC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL300020195578	0	44	-1.0	-46.18	338.58	3.39	-42.79
CCOC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL300020195578	1	44	-1.0	-46.16	338.66	3.39	-42.77
CC1(C)CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020195579	0	41	-1.0	-47.59	327.33	4.78	-42.81
CC1(C)CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020195579	1	41	-1.0	-47.58	327.40	4.79	-42.79
O=C(C1=C(F)C=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020195580	0	32	-1.0	-55.84	290.92	4.89	-50.95
O=C(C1=C(F)C=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020195580	1	32	-1.0	-55.83	290.99	4.89	-50.94
COC(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020195581	0	38	-1.0	-49.35	331.40	3.61	-45.74
COC(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020195581	1	38	-1.0	-49.36	331.32	3.60	-45.76
CC(=O)NC1=CC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195582	0	36	-1.0	-42.48	300.25	2.12	-40.36
CC(=O)NC1=CC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195582	1	36	-1.0	-42.47	300.17	2.12	-40.35
O=C(C1=CC=NC=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195583	0	42	-1.0	-43.94	330.27	0.99	-42.95
O=C(C1=CC=NC=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195583	1	42	-1.0	-43.96	330.19	0.99	-42.97
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020195584	0	30	-2.0	-93.66	288.11	3.37	-90.29
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020195584	1	30	-2.0	-93.65	288.18	3.38	-90.27
O=C(C1=CON=C1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195585	0	39	-1.0	-43.63	312.12	4.37	-39.26
O=C(C1=CON=C1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195585	1	39	-1.0	-43.63	312.19	4.38	-39.25
COC1CCN(CC2=CN(C)N=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195586	0	49	-1.0	-48.57	376.71	0.84	-47.73
COC1CCN(CC2=CN(C)N=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195586	1	49	-1.0	-48.55	376.78	0.84	-47.71
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195586	1	50	0.0	-59.41	393.88	4.16	-55.25
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195586	1	50	0.0	-58.38	393.42	4.19	-54.19
CN1C=C(CN2CCC(O)C2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020195587	0	46	-1.0	-49.92	354.69	-1.52	-51.44
CN1C=C(CN2CCC(O)C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195587	1	46	-1.0	-49.91	354.76	-1.52	-51.43
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195587	1	47	0.0	-60.34	372.01	1.92	-58.42
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195587	1	47	0.0	-56.60	372.40	1.86	-54.74
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195588	0	54	0.0	-66.86	415.17	3.80	-63.06
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020195588	1	54	0.0	-66.90	415.10	3.80	-63.10
CN1CC(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C1	REAL300020195589	0	43	-1.0	-50.80	340.33	-0.03	-50.83
CN1CC(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C1	REAL300020195589	1	43	-1.0	-50.79	340.41	-0.03	-50.82
CC(C)N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020195590	0	36	-1.0	-42.88	314.46	3.40	-39.48
CC(C)N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020195590	1	36	-1.0	-42.88	314.38	3.39	-39.49
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195591	0	41	-1.0	-41.65	342.79	5.89	-35.76
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195591	1	41	-1.0	-41.63	342.86	5.90	-35.73
CC1NC2=CC=NN2C(C)C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195592	0	48	-1.0	-52.67	363.86	3.90	-48.77
CC1NC2=CC=NN2C(C)C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195592	1	48	-1.0	-52.64	363.79	3.89	-48.75
O=C(C1=CN=C(C2=C(Cl)C=CC=C2Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195593	0	36	-1.0	-44.94	339.92	5.89	-39.05
O=C(C1=CN=C(C2=C(Cl)C=CC=C2Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195593	1	36	-1.0	-44.92	339.85	5.88	-39.04
CC1(C)[C@@H]2CC[C@@]1(C(=O)N1CCC(C3=N[N-]N=N3)C1)C(=O)C2	REAL300020195594	0	42	-1.0	-47.92	309.21	4.18	-43.74
CC1(C)[C@@H]2CC[C@@]1(C(=O)N1CCC(C3=NN=N[N-]3)C1)C(=O)C2	REAL300020195594	1	42	-1.0	-47.94	309.29	4.19	-43.75
CSC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020195595	0	33	-1.0	-52.63	302.27	1.20	-51.43
CSC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020195595	1	33	-1.0	-52.64	302.34	1.21	-51.43
CSC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300020195595	1	32	-2.0	-95.31	299.22	0.11	-95.20
CSC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300020195595	1	32	-2.0	-95.32	299.29	0.14	-95.18
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(O)=C1	REAL300020195596	0	40	-1.0	-43.01	312.41	2.71	-40.30
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(O)=C1	REAL300020195596	1	40	-1.0	-43.02	312.48	2.71	-40.31
N#CC1=C2C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CNC2=CC=C1	REAL300020195597	0	35	-1.0	-60.81	296.53	3.99	-56.82
N#CC1=C2C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CNC2=CC=C1	REAL300020195597	1	35	-1.0	-60.79	296.61	3.99	-56.80
C=CC(=O)NC1=CC=C(O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195598	0	39	-1.0	-54.60	332.40	1.14	-53.46
C=CC(=O)NC1=CC=C(O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195598	1	39	-1.0	-54.60	332.47	1.16	-53.44
O=CC1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1C1=CC=CC=C1	REAL300020195599	0	42	-1.0	-59.68	359.07	5.51	-54.17
O=CC1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1C1=CC=CC=C1	REAL300020195599	1	42	-1.0	-59.68	359.00	5.49	-54.19
COC1=CC=C(C2=NN(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=O)C=C1	REAL300020195600	0	46	-1.0	-61.01	388.52	4.80	-56.21
COC1=CC=C(C2=NN(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=O)C=C1	REAL300020195600	1	46	-1.0	-60.95	388.45	4.79	-56.16
CC(C)(CC1=CC=C(O)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195601	0	43	-1.0	-43.56	331.53	2.92	-40.64
CC(C)(CC1=CC=C(O)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195601	1	43	-1.0	-43.59	331.61	2.94	-40.65
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(O)C=C2)CC1	REAL300020195602	0	41	-1.0	-48.64	340.23	3.70	-44.94
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(O)C=C2)CC1	REAL300020195602	1	41	-1.0	-48.63	340.30	3.71	-44.92
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1Br	REAL300020195603	0	37	-1.0	-42.47	327.30	6.30	-36.17
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1Br	REAL300020195603	1	37	-1.0	-42.46	327.38	6.31	-36.15
CN1C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2N=C1CO	REAL300020195604	0	40	-1.0	-54.74	329.13	1.23	-53.51
CN1C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2N=C1CO	REAL300020195604	1	40	-1.0	-54.74	329.21	1.24	-53.50
CC1=NC2=CC=C(O)C=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195605	0	39	-1.0	-43.59	324.65	1.82	-41.77
CC1=NC2=CC=C(O)C=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195605	1	39	-1.0	-43.59	324.72	1.83	-41.76
CN1C=C([C@@H]2[C@@H](C(=O)N3CCC(C4=NN=N[N-]4)C3)[C@@H](O)C(=O)N2C)C=N1	REAL300020195606	0	45	-1.0	-51.57	374.27	0.50	-51.07
CN1C=C([C@@H]2[C@@H](C(=O)N3CCC(C4=N[N-]N=N4)C3)[C@@H](O)C(=O)N2C)C=N1	REAL300020195606	1	45	-1.0	-51.52	374.19	0.49	-51.03
O=C(C(CCCO)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195607	0	43	-1.0	-42.98	345.69	3.04	-39.94
O=C(C(CCCO)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195607	1	43	-1.0	-43.00	345.77	3.06	-39.94
COC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1O	REAL300020195608	0	38	-1.0	-48.61	320.99	1.90	-46.71
COC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1O	REAL300020195608	1	38	-1.0	-48.64	321.07	1.92	-46.72
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195609	0	45	-1.0	-41.06	362.03	4.05	-37.01
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195609	1	45	-1.0	-41.05	361.96	4.05	-37.00
CC(C1=CC=CC=C1F)C(O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195610	0	40	-1.0	-41.78	322.95	4.05	-37.73
CC(C1=CC=CC=C1F)C(O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195610	1	40	-1.0	-41.82	323.02	4.07	-37.75
O=C(C1=C(C(F)F)N=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195611	0	29	-1.0	-46.51	265.48	1.75	-44.76
O=C(C1=C(C(F)F)N=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195611	1	29	-1.0	-46.47	265.55	1.77	-44.70
CS(C)(=O)=NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195612	0	40	-1.0	-60.19	330.93	1.89	-58.30
CS(C)(=O)=NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195612	1	40	-1.0	-60.18	331.01	1.90	-58.28
CC(C)(C)C1=CSC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195613	0	38	-1.0	-45.45	318.21	3.39	-42.06
CC(C)(C)C1=CSC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020195613	1	38	-1.0	-45.48	318.13	3.39	-42.09
O=C(CC1=CC=C(Br)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195614	0	33	-1.0	-44.14	315.97	5.80	-38.34
O=C(CC1=CC=C(Br)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195614	1	33	-1.0	-44.15	316.05	5.81	-38.34
O=C(C1=CC2=C(C3CC3)C=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195615	0	41	-1.0	-42.99	333.19	6.16	-36.83
O=C(C1=CC2=C(C3CC3)C=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195615	1	41	-1.0	-42.95	333.26	6.18	-36.77
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC(=O)N1	REAL300020195616	0	36	-1.0	-54.67	306.57	-0.60	-55.27
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC(=O)N1	REAL300020195616	1	36	-1.0	-54.73	306.64	-0.58	-55.31
O=C(CC1C(=O)NC2=CC=C(F)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195617	0	38	-1.0	-51.02	324.12	4.55	-46.47
O=C(CC1C(=O)NC2=CC=C(F)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195617	1	38	-1.0	-51.03	324.20	4.57	-46.46
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C([O-])=C2)O1	REAL300020195618	0	39	-2.0	-116.21	344.29	4.84	-111.37
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C([O-])=C2)O1	REAL300020195618	1	39	-2.0	-116.16	344.21	4.83	-111.33
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(O)=C2)O1	REAL300020195618	1	40	-1.0	-53.03	347.86	3.93	-49.10
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(O)=C2)O1	REAL300020195618	1	40	-1.0	-53.01	347.79	3.91	-49.10
CCC(O)CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020195619	0	39	-1.0	-46.15	327.34	-0.22	-46.37
CCC(O)CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020195619	1	39	-1.0	-46.15	327.26	-0.23	-46.38
O=C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CNC2=CC(F)=CC=C12	REAL300020195620	0	36	-1.0	-39.62	312.50	3.97	-35.65
O=C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CNC2=CC(F)=CC=C12	REAL300020195620	1	36	-1.0	-39.64	312.57	3.98	-35.66
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195621	0	37	-1.0	-56.02	341.28	1.96	-54.06
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195621	1	37	-1.0	-56.01	341.35	1.97	-54.04
CS(C)(=O)=NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195622	0	40	-1.0	-57.36	334.37	2.21	-55.15
CS(C)(=O)=NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195622	1	40	-1.0	-57.33	334.44	2.22	-55.11
O=C(CC1=NC(C2CC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195623	0	36	-1.0	-46.39	316.37	3.94	-42.45
O=C(CC1=NC(C2CC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195623	1	36	-1.0	-46.38	316.45	3.95	-42.43
CCCCCCC(O)CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195624	0	48	-1.0	-42.32	380.77	3.99	-38.33
CCCCCCC(O)CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195624	1	48	-1.0	-42.31	380.85	3.99	-38.32
COC1=CN=NC(OC)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195625	0	36	-1.0	-46.49	311.33	-1.25	-47.74
COC1=CN=NC(OC)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195625	1	36	-1.0	-46.47	311.25	-1.26	-47.73
O=C(CS(=O)C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195626	0	35	-1.0	-52.89	327.98	3.38	-49.51
O=C(CS(=O)C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195626	1	35	-1.0	-52.86	328.06	3.39	-49.47
O=C(C1=CC(Br)=CC=C1C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195627	0	37	-1.0	-41.84	321.54	6.36	-35.48
O=C(C1=CC(Br)=CC=C1C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195627	1	37	-1.0	-41.85	321.61	6.37	-35.48
CC1CCC2=NNC=C2C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195628	0	40	-1.0	-45.04	319.04	3.14	-41.90
CC1CCC2=NNC=C2C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195628	1	40	-1.0	-45.00	319.11	3.16	-41.84
O=C(C1=CN=C(CC2CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195629	0	36	-1.0	-41.55	312.49	3.93	-37.62
O=C(C1=CN=C(CC2CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195629	1	36	-1.0	-41.56	312.56	3.93	-37.63
O=C(C1=C(Cl)C2=C(F)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195630	0	33	-1.0	-45.86	306.13	5.65	-40.21
O=C(C1=C(Cl)C2=C(F)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195630	1	33	-1.0	-45.87	306.20	5.66	-40.21
CC1=CC2=C(S1)C(CC(=O)N1CCC(C3=N[N-]N=N3)C1)=CS2	REAL300020195631	0	36	-1.0	-45.31	329.50	6.00	-39.31
CC1=CC2=C(S1)C(CC(=O)N1CCC(C3=NN=N[N-]3)C1)=CS2	REAL300020195631	1	36	-1.0	-45.29	329.57	6.00	-39.29
CN1N=C2CCSCC2=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195632	0	38	-1.0	-41.30	325.19	3.78	-37.52
CN1N=C2CCSCC2=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195632	1	38	-1.0	-41.33	325.26	3.79	-37.54
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020195633	0	41	-1.0	-47.01	342.22	5.25	-41.76
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020195633	1	41	-1.0	-47.06	342.29	5.25	-41.81
CC1=CC=C(NC2CC2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195634	0	42	-1.0	-43.04	338.62	5.07	-37.97
CC1=CC=C(NC2CC2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195634	1	42	-1.0	-43.07	338.70	5.07	-38.00
CCCCNC1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020195635	0	43	-1.0	-48.63	365.60	4.21	-44.42
CCCCNC1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020195635	1	43	-1.0	-48.60	365.67	4.22	-44.38
CC1(NC2=NC(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)CCCC1	REAL300020195636	0	47	-1.0	-49.51	377.78	4.65	-44.86
CC1(NC2=NC(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)CCCC1	REAL300020195636	1	47	-1.0	-49.50	377.86	4.66	-44.84
O=C(CCCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020195637	0	41	-1.0	-53.80	343.86	6.18	-47.62
O=C(CCCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020195637	1	41	-1.0	-53.81	343.94	6.19	-47.62
O=C(C1=CC2=CC(F)=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195638	0	36	-1.0	-50.81	317.96	3.07	-47.74
O=C(C1=CC2=CC(F)=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195638	1	36	-1.0	-50.81	318.03	3.08	-47.73
O=C(C1=CC=C(CN2CCOCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195639	0	43	-1.0	-42.60	347.24	1.38	-41.22
O=C(C1=CC=C(CN2CCOCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195639	1	43	-1.0	-42.63	347.31	1.40	-41.23
O=C(C1=CN(CC2CNC(=O)O2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195640	0	38	-1.0	-56.38	328.97	-1.50	-57.88
O=C(C1=CN(CC2CNC(=O)O2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195640	1	38	-1.0	-56.41	328.89	-1.51	-57.92
O=C(N1CCC(C2=N[N-]N=N2)C1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL300020195641	0	40	-1.0	-41.62	320.98	6.01	-35.61
O=C(N1CCC(C2=NN=N[N-]2)C1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL300020195641	1	40	-1.0	-41.63	321.06	6.03	-35.60
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL300020195642	0	46	-1.0	-42.88	355.50	5.86	-37.02
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL300020195642	1	46	-1.0	-42.92	355.43	5.83	-37.09
CC1=CC=NC(OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020195643	0	43	-1.0	-45.68	357.98	4.62	-41.06
CC1=CC=NC(OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020195643	1	43	-1.0	-45.72	358.05	4.64	-41.08
O=C(C1=CSC(C2=NC=CN2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195644	0	33	-1.0	-48.86	301.68	1.98	-46.88
O=C(C1=CSC(C2=NC=CN2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195644	1	33	-1.0	-48.86	301.75	1.98	-46.88
CC(SC1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1)C(N)=O	REAL300020195645	0	40	-1.0	-59.58	358.75	0.12	-59.46
CC(SC1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1)C(N)=O	REAL300020195645	1	40	-1.0	-59.56	358.82	0.14	-59.42
CC(C)(C)OC(=O)CCC1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CO1	REAL300020195646	0	52	-1.0	-48.48	403.12	5.36	-43.12
CC(C)(C)OC(=O)CCC1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CO1	REAL300020195646	1	52	-1.0	-48.50	403.20	5.38	-43.12
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195647	0	48	-1.0	-50.22	374.01	5.07	-45.15
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195647	1	48	-1.0	-50.24	374.08	5.07	-45.17
COCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195648	0	50	-1.0	-37.86	391.60	1.17	-36.69
COCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195648	1	50	-1.0	-37.84	391.67	1.19	-36.65
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)(C)C1	REAL300020195649	0	53	-1.0	-48.79	404.06	4.78	-44.01
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)(C)C1	REAL300020195649	1	53	-1.0	-48.77	404.14	4.80	-43.97
C=CCOC(=O)[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020195650	0	53	-1.0	-49.71	435.26	4.59	-45.12
C=CCOC(=O)[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020195650	1	53	-1.0	-49.74	435.33	4.61	-45.13
O=C(OCC1=CC=CC=C1)N1C[C@H](F)C[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195651	0	48	-1.0	-54.09	401.78	6.36	-47.73
O=C(OCC1=CC=CC=C1)N1C[C@H](F)C[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195651	1	48	-1.0	-54.14	401.86	6.37	-47.77
CC(C)(C)OC(=O)NC1=CC=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195652	0	46	-1.0	-51.27	371.80	2.98	-48.29
CC(C)(C)OC(=O)NC1=CC=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195652	1	46	-1.0	-51.28	371.88	3.00	-48.28
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195653	0	47	-1.0	-47.95	375.60	1.49	-46.46
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195653	1	47	-1.0	-47.96	375.68	1.50	-46.46
CC(C)C[C@@H](C(=O)N1CCC(C2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300020195654	0	55	-1.0	-42.78	415.79	6.30	-36.48
CC(C)C[C@@H](C(=O)N1CCC(C2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300020195654	1	55	-1.0	-42.77	415.87	6.32	-36.45
CC(C)C(NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195655	0	58	-1.0	-43.34	410.83	4.41	-38.93
CC(C)C(NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195655	1	58	-1.0	-43.37	410.90	4.41	-38.96
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195656	0	56	-1.0	-44.24	415.82	4.89	-39.35
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195656	1	56	-1.0	-44.20	415.89	4.91	-39.29
O=C(C(O)C1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195657	0	37	-1.0	-43.46	309.72	2.79	-40.67
O=C(C(O)C1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195657	1	37	-1.0	-43.49	309.79	2.81	-40.68
CCN1C(=O)CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1C1=CC=CC(C)=C1	REAL300020195658	0	50	-1.0	-46.79	398.63	6.96	-39.83
CCN1C(=O)CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1C1=CC=CC(C)=C1	REAL300020195658	1	50	-1.0	-46.85	398.70	6.97	-39.88
CCN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020195659	0	40	-1.0	-44.15	320.32	4.13	-40.02
CCN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020195659	1	40	-1.0	-44.15	320.39	4.13	-40.02
CC(C)(C)C1=CC=C(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195660	0	45	-1.0	-39.13	363.10	7.00	-32.13
CC(C)(C)C1=CC=C(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195660	1	45	-1.0	-39.18	363.17	7.01	-32.17
O=C(C1=CC2=CC=CC(C(F)(F)F)=C2NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195661	0	39	-1.0	-56.68	345.57	4.21	-52.47
O=C(C1=CC2=CC=CC(C(F)(F)F)=C2NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195661	1	39	-1.0	-56.65	345.64	4.22	-52.43
O=C(C=CC1=CC=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195662	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	REAL300020195662	1	37	-1.0	-46.30	316.00	3.92	-42.38
O=C(C=CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195663	0	44	-1.0	-45.07	380.78	9.16	-35.91
O=C(C=CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195663	1	44	-1.0	-45.12	380.85	9.18	-35.94
CN(C(=O)OC(C)(C)C)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195664	0	50	-1.0	-45.37	394.91	6.03	-39.34
CN(C(=O)OC(C)(C)C)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195664	1	50	-1.0	-45.35	394.98	6.05	-39.30
CC(C)(C)OC(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020195665	0	46	-1.0	-46.05	368.36	3.57	-42.48
CC(C)(C)OC(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020195665	1	46	-1.0	-46.08	368.43	3.58	-42.50
CC(C)C1=CC=C(C2=NC(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020195666	0	48	-1.0	-50.40	404.64	7.65	-42.75
CC(C)C1=CC=C(C2=NC(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020195666	1	48	-1.0	-50.37	404.57	7.64	-42.73
O=C(CC1=CSC(C2CCS(=O)(=O)C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195667	0	42	-1.0	-55.13	370.92	1.00	-54.13
O=C(CC1=CSC(C2CCS(=O)(=O)C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195667	1	42	-1.0	-55.19	371.00	1.01	-54.18
C[C@H]1CC[C@H](C2=NC(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)CC1	REAL300020195668	0	48	-1.0	-45.97	390.98	6.27	-39.70
C[C@H]1CC[C@H](C2=NC(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)CC1	REAL300020195668	1	48	-1.0	-45.96	391.06	6.28	-39.68
COC1=CC=C(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020195669	0	40	-1.0	-41.43	341.27	4.53	-36.90
COC1=CC=C(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NO2)C=C1	REAL300020195669	1	40	-1.0	-41.43	341.20	4.52	-36.91
CCC1=CC=C(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020195670	0	42	-1.0	-40.43	354.72	6.67	-33.76
CCC1=CC=C(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NO2)C=C1	REAL300020195670	1	42	-1.0	-40.41	354.65	6.66	-33.75
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020195671	0	42	-1.0	-42.86	340.90	6.55	-36.31
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020195671	1	42	-1.0	-42.82	340.97	6.56	-36.26
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1F	REAL300020195672	0	39	-1.0	-46.31	311.88	5.09	-41.22
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1F	REAL300020195672	1	39	-1.0	-46.26	311.95	5.09	-41.17
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=C(C)C=C2F)=N1	REAL300020195673	0	42	-1.0	-42.47	359.30	5.95	-36.52
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=CC=C(C)C=C2F)=N1	REAL300020195673	1	42	-1.0	-42.49	359.23	5.94	-36.55
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300020195674	0	42	-1.0	-41.20	360.93	5.98	-35.22
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300020195674	1	42	-1.0	-41.20	360.85	5.97	-35.23
COC(=O)C1=NN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195675	0	36	-1.0	-56.01	317.08	2.86	-53.15
COC(=O)C1=NN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195675	1	36	-1.0	-56.00	317.00	2.84	-53.16
COC(=O)C1=NN(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195676	0	42	-1.0	-55.90	360.66	4.25	-51.65
COC(=O)C1=NN(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195676	1	42	-1.0	-55.87	360.59	4.24	-51.63
CCCCC1=NC(C)=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195677	0	44	-1.0	-45.43	371.46	5.58	-39.85
CCCCC1=NC(C)=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195677	1	44	-1.0	-45.48	371.54	5.59	-39.89
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2CCC2)=N1	REAL300020195678	0	42	-1.0	-45.86	354.84	5.42	-40.44
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2CCC2)=N1	REAL300020195678	1	42	-1.0	-45.89	354.92	5.42	-40.47
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=NN(C)C=C2)=N1	REAL300020195679	0	42	-1.0	-52.74	370.09	4.03	-48.71
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=NN(C)C=C2)=N1	REAL300020195679	1	42	-1.0	-52.79	370.16	4.04	-48.75
CC(C)(CC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195680	0	42	-1.0	-41.30	341.81	6.41	-34.89
CC(C)(CC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195680	1	42	-1.0	-41.30	341.89	6.42	-34.88
NC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195681	0	35	-1.0	-39.74	305.06	2.82	-36.92
NC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195681	1	35	-1.0	-39.75	305.13	2.82	-36.93
NC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195682	0	34	-1.0	-40.32	294.20	2.48	-37.84
NC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195682	1	34	-1.0	-40.28	294.27	2.48	-37.80
COC(=O)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195683	0	36	-1.0	-52.31	305.77	5.26	-47.05
COC(=O)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195683	1	36	-1.0	-52.26	305.84	5.26	-47.00
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(N)=C1	REAL300020195684	0	38	-1.0	-47.87	326.68	-0.65	-48.52
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(N)=C1	REAL300020195684	1	38	-1.0	-47.91	326.76	-0.65	-48.56
C=CC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195685	0	38	-1.0	-51.00	318.53	2.99	-48.01
C=CC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195685	1	38	-1.0	-50.99	318.61	3.00	-47.99
NC1=CC(Br)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195686	0	32	-1.0	-39.65	287.35	2.42	-37.23
NC1=CC(Br)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195686	1	32	-1.0	-39.66	287.42	2.43	-37.23
O=C(C1=CC=C(N2C=CC=C2)C=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195687	0	39	-1.0	-43.79	324.93	4.53	-39.26
O=C(C1=CC=C(N2C=CC=C2)C=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195687	1	39	-1.0	-43.78	325.00	4.54	-39.24
NC1=CC(I)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195688	0	32	-1.0	-39.54	293.83	2.89	-36.65
NC1=CC(I)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195688	1	32	-1.0	-39.58	293.90	2.89	-36.69
CCS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(N)=C1	REAL300020195689	0	41	-1.0	-46.88	348.15	0.24	-46.64
CCS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(N)=C1	REAL300020195689	1	41	-1.0	-46.83	348.22	0.25	-46.58
COC(=O)CCC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195690	0	42	-1.0	-47.65	347.70	5.86	-41.79
COC(=O)CCC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195690	1	42	-1.0	-47.67	347.77	5.86	-41.81
O=C(C1=CC=C(C2CCC(=O)N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195691	0	41	-1.0	-49.09	333.38	3.06	-46.03
O=C(C1=CC=C(C2CCC(=O)N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195691	1	41	-1.0	-49.10	333.46	3.08	-46.02
CC1=NC(C(C)C)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195692	0	40	-1.0	-40.38	326.00	3.47	-36.91
CC1=NC(C(C)C)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195692	1	40	-1.0	-40.37	326.07	3.47	-36.90
CCC(SC1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1)C(N)=O	REAL300020195693	0	43	-1.0	-58.09	382.30	1.04	-57.05
CCC(SC1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1)C(N)=O	REAL300020195693	1	43	-1.0	-58.10	382.38	1.05	-57.05
O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195694	0	40	-1.0	-52.32	313.88	1.13	-51.19
O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195694	1	40	-1.0	-52.34	313.95	1.15	-51.19
O=C(C1=CC=C2C(=O)N=CNC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195695	0	35	-1.0	-56.67	295.81	1.85	-54.82
O=C(C1=CC=C2C(=O)N=CNC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195695	1	35	-1.0	-56.70	295.88	1.86	-54.84
O=C(CC1=CC=CC=C1N1CCCC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195696	0	44	-1.0	-55.82	360.16	7.53	-48.29
O=C(CC1=CC=CC=C1N1CCCC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195696	1	44	-1.0	-55.83	360.24	7.54	-48.29
O=C(C1CCC2=NN=CN2CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195697	0	39	-1.0	-53.33	312.05	5.36	-47.97
O=C(C1CCC2=NN=CN2CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195697	1	39	-1.0	-53.34	312.13	5.36	-47.98
O=C(C1CCCN(C2=NC3=CC=CC=C3S2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195698	0	47	-1.0	-43.44	385.83	5.81	-37.63
O=C(C1CCCN(C2=NC3=CC=CC=C3S2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195698	1	47	-1.0	-43.49	385.75	5.80	-37.69
C=CCCCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020195699	0	46	-1.0	-42.09	368.57	7.72	-34.37
C=CCCCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020195699	1	46	-1.0	-42.08	368.64	7.73	-34.35
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)OCCC2=CC=CC=C21	REAL300020195700	0	41	-1.0	-42.58	318.48	4.59	-37.99
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)OCCC2=CC=CC=C21	REAL300020195700	1	41	-1.0	-42.56	318.56	4.60	-37.96
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020195701	0	44	-1.0	-57.19	374.45	3.88	-53.31
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020195701	1	44	-1.0	-57.15	374.38	3.87	-53.28
CC1=CC=C(OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020195702	0	43	-1.0	-45.66	358.00	4.61	-41.05
CC1=CC=C(OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)N=C1	REAL300020195702	1	43	-1.0	-45.68	357.93	4.60	-41.08
CC(=O)N(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020195703	0	40	-1.0	-50.92	326.95	4.73	-46.19
CC(=O)N(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020195703	1	40	-1.0	-50.94	327.02	4.75	-46.19
CCNC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020195704	0	37	-1.0	-41.28	317.73	3.15	-38.13
CCNC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020195704	1	37	-1.0	-41.30	317.66	3.13	-38.17
O=C(C1=C(Br)C=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195705	0	27	-1.0	-40.46	251.66	1.15	-39.31
O=C(C1=C(Br)C=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195705	1	27	-1.0	-40.51	251.74	1.16	-39.35
O=C(C1=CC=CC2=NSN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195706	0	31	-1.0	-50.59	279.59	2.10	-48.49
O=C(C1=CC=CC2=NSN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195706	1	31	-1.0	-50.61	279.51	2.09	-48.52
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=S)NC(=O)N1	REAL300020195707	0	33	-1.0	-56.33	299.72	0.91	-55.42
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=S)NC(=O)N1	REAL300020195707	1	33	-1.0	-56.33	299.79	0.92	-55.41
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=S)[N-]C(=O)N1	REAL300020195707	1	32	-2.0	-96.32	294.79	-0.28	-96.60
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=S)[N-]C(=O)N1	REAL300020195707	1	32	-2.0	-96.21	294.86	-0.28	-96.49
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195708	0	28	-2.0	-81.60	266.95	0.77	-80.83
O=C(C1=C(Br)C(=O)NC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195708	1	29	-1.0	-51.47	270.32	1.94	-49.53
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195708	1	28	-2.0	-81.58	267.02	0.79	-80.79
O=C(C1=C(Br)C(=O)NC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195708	1	29	-1.0	-51.50	270.39	1.94	-49.56
C[NH+](C)CCSC1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020195709	0	45	0.0	-76.77	385.77	5.13	-71.64
C[NH+](C)CCSC1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020195709	1	45	0.0	-76.77	385.85	5.14	-71.63
O=C(C1=NC=CC=C1C1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195710	0	38	-1.0	-53.57	322.79	4.37	-49.20
O=C(C1=NC=CC=C1C1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195710	1	38	-1.0	-53.58	322.72	4.36	-49.22
CCSC1=NC(C)=C(C(CC)C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195711	0	45	-1.0	-44.89	386.32	5.66	-39.23
CCSC1=NC(C)=C(C(CC)C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195711	1	45	-1.0	-44.90	386.40	5.68	-39.22
CN(C)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)COC2=CC=CC=C2C1	REAL300020195712	0	46	-1.0	-45.45	336.94	2.76	-42.69
CN(C)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)COC2=CC=CC=C2C1	REAL300020195712	1	46	-1.0	-45.46	337.01	2.78	-42.68
C[NH+](C)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)COC2=CC=CC=C2C1	REAL300020195712	1	47	0.0	-71.26	338.71	5.15	-66.11
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC(C(F)(F)F)=CC=N1	REAL300020195713	0	41	-1.0	-46.72	335.86	5.00	-41.72
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC(C(F)(F)F)=CC=N1	REAL300020195713	1	41	-1.0	-46.74	335.78	5.00	-41.74
O=C(C1=NC=CC=C1NCC1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195714	0	44	-1.0	-43.71	349.30	4.81	-38.90
O=C(C1=NC=CC=C1NCC1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195714	1	44	-1.0	-43.77	349.23	4.81	-38.96
CC1CNC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=NN2C1	REAL300020195715	0	39	-1.0	-45.06	309.49	1.81	-43.25
CC1CNC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=NN2C1	REAL300020195715	1	39	-1.0	-45.05	309.41	1.80	-43.25
COCCNC1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020195716	0	41	-1.0	-51.39	356.20	1.75	-49.64
COCCNC1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020195716	1	41	-1.0	-51.36	356.27	1.75	-49.61
CC1=CC=C(Cl)C=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195717	0	37	-1.0	-45.06	326.44	5.91	-39.15
CC1=CC=C(Cl)C=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195717	1	37	-1.0	-45.05	326.52	5.93	-39.12
CC1=CC(C(F)(F)F)=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020195718	0	34	-1.0	-46.12	307.60	3.60	-42.52
CC1=CC(C(F)(F)F)=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195718	1	34	-1.0	-46.16	307.67	3.61	-42.55
O=C([C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195719	0	40	-1.0	-46.17	347.15	7.09	-39.08
O=C([C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195719	1	40	-1.0	-46.22	347.23	7.10	-39.12
O=C(C1=CSC(NC2CCCCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195720	0	44	-1.0	-41.45	360.98	4.96	-36.49
O=C(C1=CSC(NC2CCCCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195720	1	44	-1.0	-41.49	360.90	4.95	-36.54
O=C(CN1CCCCS1(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195721	0	38	-1.0	-56.51	318.23	0.41	-56.10
O=C(CN1CCCCS1(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195721	1	38	-1.0	-56.49	318.31	0.43	-56.06
O=C(C1=CC=C(OC(F)F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195722	0	34	-1.0	-43.12	305.20	3.70	-39.42
O=C(C1=CC=C(OC(F)F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195722	1	34	-1.0	-43.15	305.28	3.71	-39.44
CC1=CC2=CC=CC=C2N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195723	0	38	-1.0	-43.53	311.92	5.57	-37.96
CC1=CC2=CC=CC=C2N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195723	1	38	-1.0	-43.47	311.85	5.56	-37.91
O=C(C1=CC=C(OC(F)F)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195724	0	34	-1.0	-43.00	309.59	3.81	-39.19
O=C(C1=CC=C(OC(F)F)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195724	1	34	-1.0	-43.02	309.66	3.82	-39.20
O=C(C1CCOC2=C(F)C=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195725	0	38	-1.0	-45.45	314.72	4.37	-41.08
O=C(C1CCOC2=C(F)C=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195725	1	38	-1.0	-45.46	314.80	4.39	-41.07
CS(=O)(=O)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020195726	0	42	-1.0	-45.15	340.23	1.48	-43.67
CS(=O)(=O)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020195726	1	42	-1.0	-45.20	340.31	1.49	-43.71
O=C(C1=CC(C2=CC=CC(C(F)(F)F)=C2)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195727	0	42	-1.0	-43.59	363.01	7.19	-36.40
O=C(C1=CC(C2=CC=CC(C(F)(F)F)=C2)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195727	1	42	-1.0	-43.60	362.94	7.19	-36.41
O=C(CN1N=C(C(F)F)C=C1C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195728	0	40	-1.0	-51.52	347.38	4.97	-46.55
O=C(CN1N=C(C(F)F)C=C1C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195728	1	40	-1.0	-51.55	347.45	4.98	-46.57
O=C(C1=CC=C(C2=CC=CC(F)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195729	0	37	-1.0	-43.49	326.71	6.50	-36.99
O=C(C1=CC=C(C2=CC=CC(F)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195729	1	37	-1.0	-43.47	326.79	6.50	-36.97
CCC(CC1=CC=CC(C)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195730	0	45	-1.0	-42.01	351.06	6.99	-35.02
CCC(CC1=CC=CC(C)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195730	1	45	-1.0	-42.02	351.13	7.00	-35.02
CC(C)(C)OC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195731	0	43	-1.0	-43.49	330.92	4.71	-38.78
CC(C)(C)OC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195731	1	43	-1.0	-43.50	331.00	4.72	-38.78
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC(Cl)=CC(Br)=C2)CC1	REAL300020195732	0	37	-1.0	-42.92	343.13	6.77	-36.15
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC(Cl)=CC(Br)=C2)CC1	REAL300020195732	1	37	-1.0	-42.93	343.20	6.78	-36.15
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195733	0	38	-1.0	-42.85	324.14	5.62	-37.23
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195733	1	38	-1.0	-42.87	324.21	5.62	-37.25
CO[C@]12CCC[C@@]1(C(=O)N1CCC(C3=N[N-]N=N3)C1)CCO2	REAL300020195734	0	42	-1.0	-46.72	312.28	3.58	-43.14
CO[C@]12CCC[C@@]1(C(=O)N1CCC(C3=NN=N[N-]3)C1)CCO2	REAL300020195734	1	42	-1.0	-46.72	312.35	3.58	-43.14
COC1=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCC2)=CC(OC)=C1	REAL300020195735	0	51	-1.0	-45.49	383.61	4.89	-40.60
COC1=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCC2)=CC(OC)=C1	REAL300020195735	1	51	-1.0	-45.51	383.68	4.90	-40.61
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2CCCCO2)CCOCC1	REAL300020195736	0	48	-1.0	-41.16	342.65	2.69	-38.47
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2CCCCO2)CCOCC1	REAL300020195736	1	48	-1.0	-41.18	342.72	2.71	-38.47
CC(C)(C)OC(=O)NC1=NC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195737	0	49	-1.0	-48.43	410.97	4.59	-43.84
CC(C)(C)OC(=O)NC1=NC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195737	1	49	-1.0	-48.42	411.04	4.60	-43.82
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(C1)C2	REAL300020195738	0	51	-1.0	-45.78	401.22	3.84	-41.94
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(C1)C2	REAL300020195738	1	51	-1.0	-45.77	401.29	3.85	-41.92
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020195739	0	53	-1.0	-44.98	403.69	4.10	-40.88
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020195739	1	53	-1.0	-44.97	403.76	4.10	-40.87
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020195740	0	53	-1.0	-46.30	403.12	4.51	-41.79
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020195740	1	53	-1.0	-46.32	403.19	4.51	-41.81
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1(F)F	REAL300020195741	0	47	-1.0	-50.81	384.32	3.03	-47.78
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1(F)F	REAL300020195741	1	47	-1.0	-50.82	384.40	3.04	-47.78
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC[C@H]12	REAL300020195742	0	54	-1.0	-39.58	402.73	5.49	-34.09
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC[C@H]12	REAL300020195742	1	54	-1.0	-39.61	402.80	5.50	-34.11
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195743	0	50	-1.0	-43.83	409.66	2.13	-41.70
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195743	1	50	-1.0	-43.79	409.58	2.12	-41.67
COCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)CCO1	REAL300020195744	0	55	-1.0	-49.52	412.97	3.40	-46.12
COCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)CCO1	REAL300020195744	1	55	-1.0	-49.50	413.04	3.42	-46.08
CC1=CC=C2OCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020195745	0	39	-1.0	-41.55	327.48	5.07	-36.48
CC1=CC=C2OCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020195745	1	39	-1.0	-41.62	327.55	5.08	-36.54
O=C(C1CNC(=O)CC1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195746	0	37	-1.0	-49.93	300.87	1.22	-48.71
O=C(C1CNC(=O)CC1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195746	1	37	-1.0	-49.95	300.94	1.24	-48.71
COC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020195747	0	42	-1.0	-46.83	348.51	4.46	-42.37
COC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020195747	1	42	-1.0	-46.83	348.58	4.47	-42.36
O=C(C=CC1=CC=C(SC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195748	0	38	-1.0	-44.84	339.46	6.48	-38.36
O=C(C=CC1=CC=C(SC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195748	1	38	-1.0	-44.85	339.53	6.50	-38.35
O=C(C=CC1=CC=C(I)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195749	0	31	-1.0	-41.83	300.66	4.63	-37.20
O=C(C=CC1=CC=C(I)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195749	1	31	-1.0	-41.85	300.73	4.64	-37.21
CC=C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195750	0	54	-1.0	-45.46	421.53	5.87	-39.59
CC=C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195750	1	54	-1.0	-45.50	421.61	5.87	-39.63
COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020195751	0	43	-1.0	-51.10	351.16	4.56	-46.54
COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020195751	1	43	-1.0	-51.11	351.23	4.58	-46.53
COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195752	0	43	-1.0	-47.51	353.16	3.55	-43.96
COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195752	1	43	-1.0	-47.52	353.23	3.55	-43.97
CC(C)(C)OC(=O)C=CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CO1	REAL300020195753	0	46	-1.0	-46.08	376.77	5.86	-40.22
CC(C)(C)OC(=O)C=CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020195753	1	46	-1.0	-46.11	376.85	5.87	-40.24
COC1=CC=C(OC)C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195754	0	42	-1.0	-47.14	347.68	3.87	-43.27
COC1=CC=C(OC)C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195754	1	42	-1.0	-47.17	347.75	3.89	-43.28
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020195755	0	46	-1.0	-43.67	385.68	6.34	-37.33
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020195755	1	46	-1.0	-43.70	385.75	6.34	-37.36
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195756	0	45	-1.0	-46.31	357.07	5.71	-40.60
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195756	1	45	-1.0	-46.31	357.15	5.73	-40.58
O=C(CC1=CC=CC2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195757	0	38	-1.0	-47.98	318.47	5.00	-42.98
O=C(CC1=CC=CC2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195757	1	38	-1.0	-48.00	318.55	5.02	-42.98
O=C(CC1=CC2=NC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195758	0	38	-1.0	-50.11	321.84	5.13	-44.98
O=C(CC1=CC2=NC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195758	1	38	-1.0	-50.11	321.92	5.14	-44.97
O=C(CC1=CSC(C2CCCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195759	0	42	-1.0	-46.26	351.20	4.99	-41.27
O=C(CC1=CSC(C2CCCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195759	1	42	-1.0	-46.30	351.27	5.00	-41.30
CC1(C)CCC2=C(C1)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)=NO2	REAL300020195760	0	42	-1.0	-42.46	329.38	5.13	-37.33
CC1(C)CCC2=C(C1)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)=NO2	REAL300020195760	1	42	-1.0	-42.44	329.46	5.13	-37.31
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=C(C)C=C2)=N1	REAL300020195761	0	42	-1.0	-42.17	355.66	5.96	-36.21
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=CC=C(C)C=C2)=N1	REAL300020195761	1	42	-1.0	-42.14	355.59	5.95	-36.19
O=C(C(O)C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195762	0	37	-1.0	-43.38	318.68	3.40	-39.98
O=C(C(O)C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195762	1	37	-1.0	-43.36	318.76	3.41	-39.95
O=C(C1CC(=O)N(OCC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195763	0	45	-1.0	-48.35	374.28	5.64	-42.71
O=C(C1CC(=O)N(OCC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195763	1	45	-1.0	-48.34	374.35	5.64	-42.70
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300020195764	0	33	-1.0	-37.20	299.82	4.80	-32.40
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300020195764	1	33	-1.0	-37.20	299.90	4.81	-32.39
CCN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020195765	0	33	-1.0	-42.98	294.26	2.72	-40.26
CCN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020195765	1	33	-1.0	-42.97	294.19	2.70	-40.27
O=C(CC1=CSC(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195766	0	36	-1.0	-46.93	317.22	3.93	-43.00
O=C(CC1=CSC(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195766	1	36	-1.0	-46.90	317.30	3.94	-42.96
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CN1CC1=CC=CC=C1	REAL300020195767	0	44	-1.0	-47.15	355.53	7.64	-39.51
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CN1CC1=CC=CC=C1	REAL300020195767	1	44	-1.0	-47.15	355.60	7.64	-39.51
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=CO1	REAL300020195768	0	33	-1.0	-45.79	302.90	3.85	-41.94
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020195768	1	33	-1.0	-45.78	302.97	3.85	-41.93
C=CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195769	0	42	-1.0	-51.16	383.58	1.50	-49.66
C=CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195769	1	42	-1.0	-51.19	383.66	1.51	-49.68
O=C(CCC1CCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195770	0	43	-1.0	-43.91	342.73	7.23	-36.68
O=C(CCC1CCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195770	1	43	-1.0	-43.87	342.80	7.24	-36.63
O=C(C1=CC(C(F)(F)F)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195771	0	32	-1.0	-43.00	288.78	3.73	-39.27
O=C(C1=CC(C(F)(F)F)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195771	1	32	-1.0	-42.97	288.71	3.71	-39.26
CC1=NN(C2CCOCC2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195772	0	44	-1.0	-44.98	345.67	2.84	-42.14
CC1=NN(C2CCOCC2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195772	1	44	-1.0	-44.98	345.75	2.86	-42.12
CC(C)(CC(=O)N1CCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300020195773	0	38	-1.0	-44.66	302.30	4.46	-40.20
CC(C)(CC(=O)N1CCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020195773	1	38	-1.0	-44.70	302.38	4.47	-40.23
COC1=CC=C(CCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020195774	0	50	-1.0	-47.35	403.87	6.34	-41.01
COC1=CC=C(CCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020195774	1	50	-1.0	-47.37	403.94	6.35	-41.02
COC1=CC=C2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2=C1	REAL300020195775	0	44	-1.0	-43.32	349.21	5.60	-37.72
COC1=CC=C2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2=C1	REAL300020195775	1	44	-1.0	-43.34	349.28	5.61	-37.73
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020195776	0	36	-1.0	-43.34	332.89	3.79	-39.55
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020195776	1	36	-1.0	-43.31	332.82	3.77	-39.54
CC1=CC(C)=NC(N2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)=N1	REAL300020195777	0	49	-1.0	-47.22	387.50	5.94	-41.28
CC1=CC(C)=NC(N2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)=N1	REAL300020195777	1	49	-1.0	-47.22	387.58	5.95	-41.27
O=C(C1=NC=C2C=CSC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195778	0	32	-1.0	-44.33	286.61	4.14	-40.19
O=C(C1=NC=C2C=CSC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195778	1	32	-1.0	-44.32	286.54	4.14	-40.18
O=C(CCN1CC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195779	0	41	-1.0	-50.17	345.56	4.95	-45.22
O=C(CCN1CC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195779	1	41	-1.0	-50.20	345.64	4.96	-45.24
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=CC(C2CC2)=N1	REAL300020195780	0	40	-1.0	-42.48	330.87	4.45	-38.03
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=CC(C2CC2)=N1	REAL300020195780	1	40	-1.0	-42.49	330.95	4.45	-38.04
CC1=NN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2S1	REAL300020195781	0	32	-1.0	-45.97	291.17	3.07	-42.90
CC1=NN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2S1	REAL300020195781	1	32	-1.0	-45.97	291.24	3.08	-42.89
CC(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020195782	0	39	-1.0	-56.68	325.25	2.86	-53.82
CC(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020195782	1	39	-1.0	-56.69	325.32	2.88	-53.81
O=C(C1=C(C(F)F)N2N=CC=C2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195783	0	35	-1.0	-44.24	308.79	3.54	-40.70
O=C(C1=C(C(F)F)N2N=CC=C2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195783	1	35	-1.0	-44.27	308.86	3.55	-40.72
O=C(C1=CC=CC=C1C1=NC=CN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195784	0	37	-1.0	-55.28	308.35	4.92	-50.36
O=C(C1=CC=CC=C1C1=NC=CN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195784	1	37	-1.0	-55.33	308.42	4.93	-50.40
CN1N=CC2=CC(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020195785	0	39	-1.0	-48.38	330.17	4.76	-43.62
CN1N=CC2=CC(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020195785	1	39	-1.0	-48.37	330.09	4.74	-43.63
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CN=CC=C12	REAL300020195786	0	39	-1.0	-46.06	321.10	3.54	-42.52
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CN=CC=C12	REAL300020195786	1	39	-1.0	-46.07	321.02	3.53	-42.54
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195787	0	37	-1.0	-40.93	330.94	4.59	-36.34
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195787	1	37	-1.0	-40.93	331.01	4.60	-36.33
O=C([C@H]1CC[C@H](OC(F)F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195788	0	40	-1.0	-44.08	323.47	3.46	-40.62
O=C([C@H]1CC[C@H](OC(F)F)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195788	1	40	-1.0	-44.09	323.55	3.46	-40.63
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(C(C)(C)C)O1	REAL300020195789	0	42	-1.0	-41.83	335.69	5.26	-36.57
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(C(C)(C)C)O1	REAL300020195789	1	42	-1.0	-41.83	335.76	5.27	-36.56
CCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=N1	REAL300020195790	0	35	-1.0	-39.97	304.21	3.67	-36.30
CCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=N1	REAL300020195790	1	35	-1.0	-39.97	304.29	3.67	-36.30
CCC1=C(C)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020195791	0	39	-1.0	-54.57	324.15	2.68	-51.89
CCC1=C(C)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020195791	1	39	-1.0	-54.57	324.22	2.69	-51.88
COC1=CC=CN2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020195792	0	37	-1.0	-51.24	303.58	4.06	-47.18
COC1=CC=CN2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020195792	1	37	-1.0	-51.25	303.51	4.04	-47.21
CC1=CN2N=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C(=O)N1	REAL300020195793	0	35	-1.0	-53.43	300.79	1.49	-51.94
CC1=CN2N=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C(=O)N1	REAL300020195793	1	35	-1.0	-53.42	300.86	1.49	-51.93
O=C(C1=C(C2CC2)OC(C2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195794	0	41	-1.0	-43.07	336.50	6.48	-36.59
O=C(C1=C(C2CC2)OC(C2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195794	1	41	-1.0	-43.04	336.57	6.49	-36.55
O=C(C1=CC(S(=O)(=O)F)=CN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195795	0	31	-1.0	-49.46	285.32	-0.88	-50.34
O=C(C1=CC(S(=O)(=O)F)=CN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195795	1	31	-1.0	-49.48	285.39	-0.88	-50.36
CCOC(=O)N(C)CCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195796	0	43	-1.0	-50.44	355.35	3.83	-46.61
CCOC(=O)N(C)CCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195796	1	43	-1.0	-50.45	355.42	3.84	-46.61
O=C(CC1CCC2(CCC2)CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195797	0	44	-1.0	-45.91	339.71	5.40	-40.51
O=C(CC1CCC2(CCC2)CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195797	1	44	-1.0	-45.89	339.78	5.41	-40.48
O=C(CC1CCC2(CCOCC2)CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195798	0	48	-1.0	-45.93	357.81	4.07	-41.86
O=C(CC1CCC2(CCOCC2)CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195798	1	48	-1.0	-45.94	357.89	4.07	-41.87
CC1=CC(C)=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1Br	REAL300020195799	0	42	-1.0	-44.65	351.12	6.86	-37.79
CC1=CC(C)=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1Br	REAL300020195799	1	42	-1.0	-44.64	351.19	6.87	-37.77
COC1=CC=C(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020195800	0	47	-1.0	-49.24	382.37	5.56	-43.68
COC1=CC=C(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020195800	1	47	-1.0	-49.25	382.44	5.57	-43.68
O=C([C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195801	0	37	-1.0	-42.62	318.02	6.12	-36.50
O=C([C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195801	1	37	-1.0	-42.64	318.09	6.13	-36.51
CCOC1=CC=C(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020195802	0	53	-1.0	-49.11	426.08	7.40	-41.71
CCOC1=CC=C(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020195802	1	53	-1.0	-49.13	426.15	7.41	-41.72
O=C(C1=CN=C(Cl)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195803	0	32	-1.0	-40.37	299.89	3.30	-37.07
O=C(C1=CN=C(Cl)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195803	1	32	-1.0	-40.35	299.82	3.28	-37.07
O=C(C1=CC=CC2=C1C(=O)N=CN2)N1CCC(C2=N[N-]N=N2)C1	REAL300020195804	0	35	-1.0	-72.15	296.39	3.49	-68.66
O=C(C1=CC=CC2=C1C(=O)N=CN2)N1CCC(C2=NN=N[N-]2)C1	REAL300020195804	1	35	-1.0	-72.13	296.46	3.51	-68.62
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195805	0	45	0.0	-76.39	350.89	6.29	-70.10
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195805	1	45	0.0	-76.37	350.97	6.30	-70.07
O=C(C1=CNC2=CC(=O)C=CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195806	0	36	-1.0	-54.54	311.85	3.74	-50.80
O=C(C1=CNC2=CC(=O)C=CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195806	1	36	-1.0	-54.59	311.92	3.75	-50.84
O=C(C1=C(Cl)C=CN=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020195807	0	29	-1.0	-43.25	290.89	3.01	-40.24
O=C(C1=C(Cl)C=CN=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020195807	1	29	-1.0	-43.26	290.82	3.01	-40.25
CC(C)(C)OC(=O)N1CC(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=N2)C1	REAL300020195808	0	50	-1.0	-46.55	406.70	2.82	-43.73
CC(C)(C)OC(=O)N1CC(N2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=N2)C1	REAL300020195808	1	50	-1.0	-46.60	406.63	2.81	-43.79
CS(=O)(=O)CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)COC1	REAL300020195809	0	37	-1.0	-54.85	300.90	-0.18	-55.03
CS(=O)(=O)CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)COC1	REAL300020195809	1	37	-1.0	-54.87	300.98	-0.17	-55.04
O=C([C@@H]1CC[C@H](CN2C=CN=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195810	0	41	-1.0	-53.23	336.20	5.51	-47.72
O=C([C@@H]1CC[C@H](CN2C=CN=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195810	1	41	-1.0	-53.26	336.27	5.52	-47.74
CC(C)(C)OC(=O)N1CC(N2N=NC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195811	0	50	-1.0	-43.71	400.12	2.53	-41.18
CC(C)(C)OC(=O)N1CC(N2N=NC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195811	1	50	-1.0	-43.68	400.04	2.52	-41.16
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020195812	0	42	-1.0	-48.51	347.31	6.68	-41.83
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020195812	1	42	-1.0	-48.55	347.39	6.70	-41.85
O=C(CCCC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195813	0	39	-1.0	-45.11	344.93	6.98	-38.13
O=C(CCCC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195813	1	39	-1.0	-45.14	345.00	6.99	-38.15
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195814	0	37	-1.0	-43.76	327.31	5.50	-38.26
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195814	1	37	-1.0	-43.72	327.23	5.50	-38.22
O=C(C1=NN2CCCC2=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020195815	0	34	-1.0	-46.99	301.72	3.45	-43.54
O=C(C1=NN2CCCC2=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020195815	1	34	-1.0	-46.98	301.79	3.46	-43.52
C=CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020195816	0	51	-1.0	-51.70	398.82	4.69	-47.01
C=CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020195816	1	51	-1.0	-51.69	398.89	4.71	-46.98
O=C(CC1=CN=C2NC=CC(Cl)=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195817	0	36	-1.0	-56.62	319.77	4.44	-52.18
O=C(CC1=CN=C2NC=CC(Cl)=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195817	1	36	-1.0	-56.65	319.84	4.45	-52.20
O=C(C1=CC(Br)=CN(C2CC2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195818	0	37	-1.0	-51.71	333.83	4.74	-46.97
O=C(C1=CC(Br)=CN(C2CC2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195818	1	37	-1.0	-51.78	333.90	4.74	-47.04
COC(=O)C1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020195819	0	32	-1.0	-44.83	297.30	2.21	-42.62
COC(=O)C1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020195819	1	32	-1.0	-44.80	297.23	2.21	-42.59
CCNC1=CC=C(C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195820	0	41	-1.0	-42.19	328.87	4.23	-37.96
CCNC1=CC=C(C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195820	1	41	-1.0	-42.21	328.94	4.24	-37.97
O=C(C1=C(Cl)C=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195821	0	33	-1.0	-46.37	306.97	5.28	-41.09
O=C(C1=C(Cl)C=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195821	1	33	-1.0	-46.34	307.05	5.29	-41.05
CC1=C2OC=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=CC=C1Cl	REAL300020195822	0	39	-1.0	-46.63	343.97	6.23	-40.40
CC1=C2OC=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=CC=C1Cl	REAL300020195822	1	39	-1.0	-46.66	344.04	6.23	-40.43
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195823	0	40	-1.0	-43.85	340.10	5.04	-38.81
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195823	1	40	-1.0	-43.83	340.18	5.05	-38.78
O=C(C1=CC=C(CN2CCCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195824	0	42	-1.0	-40.89	339.65	2.82	-38.07
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195824	1	43	0.0	-70.24	343.29	5.41	-64.83
O=C(C1=CC=C(CN2CCCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195824	1	42	-1.0	-40.90	339.73	2.83	-38.07
CC(=O)NC1=CN=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195825	0	36	-1.0	-43.26	304.39	1.05	-42.21
CC(=O)NC1=CN=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195825	1	36	-1.0	-43.24	304.32	1.04	-42.20
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195826	0	51	0.0	-72.07	405.84	6.35	-65.72
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195826	1	51	0.0	-72.05	405.91	6.36	-65.69
C[N@@H+]1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)C1	REAL300020195827	0	39	0.0	-75.07	306.87	4.60	-70.47
C[N@H+]1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)C1	REAL300020195827	1	39	0.0	-71.28	308.86	3.82	-67.46
C[N@@H+]1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)C1	REAL300020195827	1	39	0.0	-75.06	306.94	4.61	-70.45
C[N@H+]1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)C1	REAL300020195827	1	39	0.0	-71.30	308.93	3.82	-67.48
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300020195828	0	47	-1.0	-46.30	353.53	3.55	-42.75
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300020195828	1	47	-1.0	-46.27	353.61	3.55	-42.72
O=C(N[C@@H](CC1=CNC=N1)C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020195829	0	53	-1.0	-43.77	411.41	4.86	-38.91
O=C(N[C@@H](CC1=CNC=N1)C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020195829	1	53	-1.0	-43.78	411.48	4.87	-38.91
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020195830	0	29	-2.0	-93.34	276.24	2.91	-90.43
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020195830	1	29	-2.0	-93.32	276.31	2.92	-90.40
O=C(C1=NC=C(Br)C=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195830	1	30	-1.0	-41.68	279.86	1.91	-39.77
O=C(C1=NC=C(Br)C=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195830	1	30	-1.0	-41.69	279.94	1.92	-39.77
O=C(CC1=NC(C2CCCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195831	0	42	-1.0	-45.82	349.34	4.96	-40.86
O=C(CC1=NC(C2CCCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195831	1	42	-1.0	-45.79	349.41	4.97	-40.82
CN1N=C(C2=CC=CN=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195832	0	39	-1.0	-42.90	324.91	3.24	-39.66
CN1N=C(C2=CC=CN=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195832	1	39	-1.0	-42.88	324.83	3.24	-39.64
CN1N=C(C2=CC=NC=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195833	0	39	-1.0	-42.87	325.05	3.28	-39.59
CN1N=C(C2=CC=NC=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195833	1	39	-1.0	-42.87	325.12	3.28	-39.59
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195834	0	40	-1.0	-49.91	343.79	0.12	-49.79
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195834	1	40	-1.0	-49.92	343.86	0.13	-49.79
CCN1N=C(C2CC2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195835	0	40	-1.0	-41.12	323.79	4.41	-36.71
CCN1N=C(C2CC2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195835	1	40	-1.0	-41.16	323.87	4.41	-36.75
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195836	0	56	-1.0	-43.24	420.45	5.64	-37.60
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195836	1	56	-1.0	-43.24	420.52	5.66	-37.58
O=C(C=CC1=CC(Br)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195837	0	34	-1.0	-44.16	316.69	5.91	-38.25
O=C(C=CC1=CC(Br)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195837	1	34	-1.0	-44.17	316.77	5.91	-38.26
COC1=CC2=CC=C(C=CC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020195838	0	44	-1.0	-45.89	365.46	6.80	-39.09
COC1=CC2=CC=C(C=CC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020195838	1	44	-1.0	-45.87	365.53	6.81	-39.06
O=C(CC1=NC(C2CCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195839	0	45	-1.0	-45.80	368.36	5.62	-40.18
O=C(CC1=NC(C2CCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195839	1	45	-1.0	-45.85	368.43	5.63	-40.22
O=C(CC1=NN=C(C2CCOCC2)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195840	0	43	-1.0	-55.51	349.06	2.72	-52.79
O=C(CC1=NN=C(C2CCOCC2)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195840	1	43	-1.0	-55.53	349.13	2.73	-52.80
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195841	0	50	-1.0	-45.41	413.38	8.87	-36.54
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195841	1	50	-1.0	-45.37	413.46	8.88	-36.49
O=C(C1=NC2=CC=CC=C2C=C1C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195842	0	42	-1.0	-44.23	339.78	6.94	-37.29
O=C(C1=NC2=CC=CC=C2C=C1C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195842	1	42	-1.0	-44.25	339.71	6.94	-37.31
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020195843	0	38	-1.0	-54.02	321.13	5.90	-48.12
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020195843	1	38	-1.0	-54.01	321.20	5.92	-48.09
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=N1	REAL300020195844	0	30	-1.0	-48.05	273.91	1.90	-46.15
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=N1	REAL300020195844	1	30	-1.0	-48.05	273.84	1.89	-46.16
O=C(C1CC2=CC=C(Br)C=C2C(=O)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195845	0	37	-1.0	-49.08	331.65	6.24	-42.84
O=C(C1CC2=CC=C(Br)C=C2C(=O)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195845	1	37	-1.0	-49.10	331.73	6.25	-42.85
C[C@H](C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CC2=CC=CC=C2C1=O	REAL300020195846	0	41	-1.0	-49.20	335.32	5.88	-43.32
C[C@H](C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CC2=CC=CC=C2C1=O	REAL300020195846	1	41	-1.0	-49.20	335.40	5.88	-43.32
O=C(C1=COC2=C1C(=O)NCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020195847	0	38	-1.0	-58.07	308.62	1.62	-56.45
O=C(C1=COC2=C1C(=O)NCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020195847	1	38	-1.0	-58.11	308.70	1.62	-56.49
CC1=NC(=O)C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020195848	0	38	-1.0	-51.35	317.35	1.78	-49.57
CC1=NC(=O)C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020195848	1	38	-1.0	-51.42	317.43	1.79	-49.63
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(CC(F)(F)F)=N1	REAL300020195849	0	38	-1.0	-45.90	347.47	4.41	-41.49
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(CC(F)(F)F)=N1	REAL300020195849	1	38	-1.0	-45.90	347.55	4.41	-41.49
C[C@H](NC(=O)CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020195850	0	46	-1.0	-43.60	379.26	4.78	-38.82
C[C@H](NC(=O)CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020195850	1	46	-1.0	-43.66	379.34	4.79	-38.87
O=C(C1=CC2=C(Cl)C=NC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195851	0	32	-1.0	-41.15	300.33	3.87	-37.28
O=C(C1=CC2=C(Cl)C=NC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195851	1	32	-1.0	-41.13	300.26	3.86	-37.27
N#CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC=CC=C21	REAL300020195852	0	35	-1.0	-47.58	303.80	4.51	-43.07
N#CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC=CC=C21	REAL300020195852	1	35	-1.0	-47.62	303.87	4.53	-43.09
NC1=C(Cl)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020195853	0	34	-1.0	-43.21	303.64	2.86	-40.35
NC1=C(Cl)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020195853	1	34	-1.0	-43.19	303.72	2.87	-40.32
CC1=CC(C)=NC(NC2=CC=C(Cl)C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020195854	0	46	-1.0	-45.42	394.10	7.94	-37.48
CC1=CC(C)=NC(NC2=CC=C(Cl)C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020195854	1	46	-1.0	-45.45	394.03	7.94	-37.51
CNC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020195855	0	35	-1.0	-45.10	303.30	3.00	-42.10
CNC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020195855	1	35	-1.0	-45.13	303.37	3.01	-42.12
O=C(CC1=COC2=C(F)C(F)=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195856	0	36	-1.0	-48.62	321.34	5.26	-43.36
O=C(CC1=COC2=C(F)C(F)=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195856	1	36	-1.0	-48.63	321.41	5.27	-43.36
CCSC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195857	0	40	-1.0	-44.95	339.66	6.53	-38.42
CCSC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195857	1	40	-1.0	-44.93	339.73	6.54	-38.39
C=CCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020195858	0	46	-1.0	-46.63	383.27	5.97	-40.66
C=CCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020195858	1	46	-1.0	-46.67	383.34	5.97	-40.70
CCCCC1=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020195859	0	49	-1.0	-43.90	406.31	8.89	-35.01
CCCCC1=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020195859	1	49	-1.0	-43.86	406.39	8.91	-34.95
CC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1CCCCC1	REAL300020195860	0	54	-1.0	-45.35	409.96	8.90	-36.45
CC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1CCCCC1	REAL300020195860	1	54	-1.0	-45.36	410.04	8.91	-36.45
O=C(C(O)C1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195861	0	34	-1.0	-44.31	303.59	3.11	-41.20
O=C(C(O)C1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195861	1	34	-1.0	-44.31	303.67	3.12	-41.19
O=C(CC1=CC=CC=C1F)N1CC(O)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195862	0	48	-1.0	-54.67	398.16	2.87	-51.80
O=C(CC1=CC=CC=C1F)N1CC(O)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195862	1	48	-1.0	-54.65	398.24	2.88	-51.77
CC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020195863	0	37	-1.0	-45.54	329.56	6.41	-39.13
CC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020195863	1	37	-1.0	-45.56	329.63	6.42	-39.14
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195864	0	47	-1.0	-51.72	372.82	2.92	-48.80
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195864	1	47	-1.0	-51.71	372.90	2.93	-48.78
O=C(C1=CC=C2OCCCOC2=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020195865	0	41	-1.0	-53.56	345.37	4.78	-48.78
O=C(C1=CC=C2OCCCOC2=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020195865	1	41	-1.0	-53.51	345.44	4.79	-48.72
COC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020195866	0	39	-1.0	-44.31	329.25	2.28	-42.03
COC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020195866	1	39	-1.0	-44.24	329.18	2.26	-41.98
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1NC(=O)OC(C)(C)C	REAL300020195867	0	47	-1.0	-48.92	379.25	2.90	-46.02
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1NC(=O)OC(C)(C)C	REAL300020195867	1	47	-1.0	-48.90	379.32	2.91	-45.99
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195868	0	50	-1.0	-41.34	392.05	3.89	-37.45
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195868	1	50	-1.0	-41.39	392.12	3.91	-37.48
O=C(CC1CCC2=C(C=CS2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195869	0	39	-1.0	-53.53	331.18	6.65	-46.88
O=C(CC1CCC2=C(C=CS2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195869	1	39	-1.0	-53.54	331.25	6.66	-46.88
CC(C)(C)OC(=O)NCCCN1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195870	0	53	-1.0	-49.93	428.05	3.40	-46.53
CC(C)(C)OC(=O)NCCCN1C=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020195870	1	53	-1.0	-49.94	427.98	3.39	-46.55
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)N3CCC(C4=N[N-]N=N4)C3)[C@@H]2C1	REAL300020195871	0	51	-1.0	-51.20	379.79	7.05	-44.15
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)N3CCC(C4=NN=N[N-]4)C3)[C@@H]2C1	REAL300020195871	1	51	-1.0	-51.24	379.86	7.06	-44.18
CC(C)(C)OC(=O)NC1CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195872	0	50	-1.0	-49.63	394.55	3.61	-46.02
CC(C)(C)OC(=O)NC1CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195872	1	50	-1.0	-49.58	394.62	3.62	-45.96
CC1C2=CNN=C2CCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195873	0	40	-1.0	-44.68	317.66	3.12	-41.56
CC1C2=CNN=C2CCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195873	1	40	-1.0	-44.67	317.74	3.14	-41.53
COC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCS(=O)(=O)C1	REAL300020195874	0	37	-1.0	-49.46	300.22	-1.40	-50.86
COC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCS(=O)(=O)C1	REAL300020195874	1	37	-1.0	-49.42	300.30	-1.39	-50.81
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195875	0	50	-1.0	-44.66	410.16	8.98	-35.68
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195875	1	50	-1.0	-44.68	410.24	8.98	-35.70
CC(C)(C)OC(=O)NC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195876	0	43	-1.0	-46.48	361.46	2.69	-43.79
CC(C)(C)OC(=O)NC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195876	1	43	-1.0	-46.48	361.53	2.69	-43.79
CC(C)(C)OC(=O)NOCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195877	0	41	-1.0	-52.85	339.65	2.28	-50.57
CC(C)(C)OC(=O)NOCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195877	1	41	-1.0	-52.90	339.73	2.29	-50.61
CN(CCCCC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020195878	0	52	-1.0	-47.47	410.14	5.70	-41.77
CN(CCCCC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020195878	1	52	-1.0	-47.45	410.21	5.72	-41.73
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195879	0	50	-1.0	-41.05	401.78	3.27	-37.78
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195879	1	50	-1.0	-41.06	401.85	3.28	-37.78
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195880	0	48	-1.0	-49.47	369.98	3.05	-46.42
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195880	1	48	-1.0	-49.46	370.05	3.06	-46.40
CCOC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2(Cl)Cl)C=C1	REAL300020195881	0	44	-1.0	-43.29	386.84	6.92	-36.37
CCOC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2(Cl)Cl)C=C1	REAL300020195881	1	44	-1.0	-43.29	386.91	6.93	-36.36
CC12CC3CC(C1)CC(C(=O)N1CCC(C4=N[N-]N=N4)C1)(C3)C2	REAL300020195882	0	47	-1.0	-43.15	330.36	5.91	-37.24
CC12CC3CC(C1)CC(C(=O)N1CCC(C4=NN=N[N-]4)C1)(C3)C2	REAL300020195882	1	47	-1.0	-43.13	330.43	5.92	-37.21
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL300020195883	0	43	-1.0	-47.95	349.54	4.81	-43.14
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL300020195883	1	43	-1.0	-47.99	349.61	4.81	-43.18
COC1=CC=CC(C(F)F)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195884	0	37	-1.0	-53.51	315.64	4.11	-49.40
COC1=CC=CC(C(F)F)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195884	1	37	-1.0	-53.49	315.72	4.11	-49.38
CC1=CC=C(F)C(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195885	0	33	-1.0	-44.82	305.07	5.02	-39.80
CC1=CC=C(F)C(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195885	1	33	-1.0	-44.81	305.15	5.02	-39.79
CC(C)C1=NC=C(OCC2=CC=CC=C2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020195886	0	51	-1.0	-45.44	417.52	8.17	-37.27
CC(C)C1=NC=C(OCC2=CC=CC=C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195886	1	51	-1.0	-45.44	417.59	8.18	-37.26
CC(C)(C)CN1C(=O)NC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C21	REAL300020195887	0	49	-1.0	-46.84	371.01	5.70	-41.14
CC(C)(C)CN1C(=O)NC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C21	REAL300020195887	1	49	-1.0	-46.85	371.05	5.73	-41.12
CN1C(=O)C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=C(F)C=C1	REAL300020195888	0	44	-1.0	-47.95	365.16	5.51	-42.44
CN1C(=O)C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=C(F)C=C1	REAL300020195888	1	44	-1.0	-47.98	365.23	5.52	-42.46
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195889	0	47	-1.0	-51.94	368.45	4.33	-47.61
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195889	1	47	-1.0	-51.97	368.53	4.34	-47.63
CCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=N1	REAL300020195890	0	43	-1.0	-48.50	350.33	5.85	-42.65
CCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=N1	REAL300020195890	1	43	-1.0	-48.54	350.26	5.83	-42.71
CC(C)(C)OC(=O)NCC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195891	0	50	-1.0	-48.03	397.38	4.83	-43.20
CC(C)(C)OC(=O)NCC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195891	1	50	-1.0	-48.09	397.45	4.84	-43.25
CC(C)(C)OC(=O)CN1C=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020195892	0	48	-1.0	-64.86	395.76	6.01	-58.85
CC(C)(C)OC(=O)CN1C=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020195892	1	48	-1.0	-64.86	395.84	6.02	-58.84
N#CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2CCC1CC2	REAL300020195893	0	41	-1.0	-41.33	307.80	4.62	-36.71
N#CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2CCC1CC2	REAL300020195893	1	41	-1.0	-41.33	307.88	4.63	-36.70
COC1=CC=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=NN21	REAL300020195894	0	37	-1.0	-50.53	306.78	2.16	-48.37
COC1=CC=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=NN21	REAL300020195894	1	37	-1.0	-50.50	306.71	2.14	-48.36
COC(=O)C1=CC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020195895	0	36	-1.0	-39.72	312.11	3.58	-36.14
COC(=O)C1=CC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020195895	1	36	-1.0	-39.73	312.19	3.58	-36.15
CC1=CC=C(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)C=C1	REAL300020195896	0	41	-1.0	-51.91	340.68	5.95	-45.96
CC1=CC=C(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020195896	1	41	-1.0	-51.88	340.75	5.96	-45.92
CC1=CC=C(C)C(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)=C1	REAL300020195897	0	44	-1.0	-51.30	355.96	6.79	-44.51
CC1=CC=C(C)C(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)=C1	REAL300020195897	1	44	-1.0	-51.30	356.03	6.81	-44.49
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300020195898	0	41	-1.0	-45.91	358.27	5.49	-40.42
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300020195898	1	41	-1.0	-45.90	358.34	5.50	-40.40
CC1CCC2=C(C1)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)=NN2	REAL300020195899	0	40	-1.0	-45.25	318.01	3.64	-41.61
CC1CCC2=C(C1)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)=NN2	REAL300020195899	1	40	-1.0	-45.24	318.08	3.64	-41.60
O=C(C1=CC=CN2N=CC(Br)=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195900	0	33	-1.0	-49.06	306.74	4.23	-44.83
O=C(C1=CC=CN2N=CC(Br)=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195900	1	33	-1.0	-49.03	306.66	4.21	-44.82
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195901	0	44	-1.0	-46.12	333.59	6.00	-40.12
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195901	1	44	-1.0	-46.16	333.66	6.00	-40.16
O=C(C1=CC=C(CN2C=C(Cl)C=N2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195902	0	37	-1.0	-46.08	343.71	5.05	-41.03
O=C(C1=CC=C(CN2C=C(Cl)C=N2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195902	1	37	-1.0	-46.11	343.63	5.05	-41.06
CCC1=NC(C)=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020195903	0	43	-1.0	-48.05	348.68	4.36	-43.69
CCC1=NC(C)=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020195903	1	43	-1.0	-48.02	348.75	4.36	-43.66
O=C(C1=NSC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195904	0	32	-1.0	-42.97	283.46	4.25	-38.72
O=C(C1=NSC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195904	1	32	-1.0	-42.93	283.38	4.25	-38.68
CC(C)(C)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020195905	0	46	-1.0	-48.74	344.47	4.12	-44.62
CC(C)(C)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020195905	1	46	-1.0	-48.76	344.54	4.12	-44.64
O=C(C1=CN=NN1C1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020195906	0	36	-1.0	-43.30	321.82	4.15	-39.15
O=C(C1=CN=NN1C1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020195906	1	36	-1.0	-43.32	321.74	4.14	-39.18
O=C(C1=CN=NN1C1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195907	0	36	-1.0	-42.65	334.93	4.50	-38.15
O=C(C1=CN=NN1C1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195907	1	36	-1.0	-42.64	334.86	4.50	-38.14
O=C(COCCC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195908	0	40	-1.0	-45.66	358.00	6.58	-39.08
O=C(COCCC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195908	1	40	-1.0	-45.65	358.07	6.60	-39.05
O=C(CCCC1=CC=C(C2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195909	0	46	-1.0	-45.23	372.85	8.46	-36.77
O=C(CCCC1=CC=C(C2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195909	1	46	-1.0	-45.24	372.92	8.47	-36.77
O=C(C1=CC2=C(CCOC2)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195910	0	38	-1.0	-56.19	318.23	0.83	-55.36
O=C(C1=CC2=C(CCOC2)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195910	1	38	-1.0	-56.16	318.30	0.84	-55.32
COC1=CC(OC)=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195911	0	36	-1.0	-41.48	308.92	-0.76	-42.24
COC1=CC(OC)=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020195911	1	36	-1.0	-41.43	308.84	-0.77	-42.20
O=C(C1=NOC(CC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195912	0	39	-1.0	-42.22	335.18	6.08	-36.14
O=C(C1=NOC(CC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195912	1	39	-1.0	-42.24	335.26	6.10	-36.14
COC1=CC2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020195913	0	39	-1.0	-47.45	320.84	3.27	-44.18
COC1=CC2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020195913	1	39	-1.0	-47.49	320.77	3.27	-44.22
CC(C)C[C@H](C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CC2=CC=CC=C2C1=O	REAL300020195914	0	50	-1.0	-58.81	386.42	8.05	-50.76
CC(C)C[C@H](C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CC2=CC=CC=C2C1=O	REAL300020195914	1	50	-1.0	-58.84	386.49	8.06	-50.78
CC1=C(C2=CC=CC=C2)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)S1	REAL300020195915	0	43	-1.0	-49.34	365.56	6.09	-43.25
CC1=C(C2=CC=CC=C2)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)S1	REAL300020195915	1	43	-1.0	-49.30	365.64	6.10	-43.20
O=C(C1=NN2CCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195916	0	36	-1.0	-49.15	303.44	2.68	-46.47
O=C(C1=NN2CCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195916	1	36	-1.0	-49.16	303.52	2.68	-46.48
O=C(C1CC(C2=CC=CC=N2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195917	0	37	-1.0	-51.11	315.48	3.54	-47.57
O=C(C1CC(C2=CC=CC=N2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195917	1	37	-1.0	-51.06	315.41	3.54	-47.52
CC1=CC(Br)=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195918	0	33	-1.0	-43.05	312.28	5.23	-37.82
CC1=CC(Br)=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195918	1	33	-1.0	-43.07	312.35	5.24	-37.83
CCN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1CC1	REAL300020195919	0	40	-1.0	-45.34	330.74	4.84	-40.50
CCN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1CC1	REAL300020195919	1	40	-1.0	-45.32	330.81	4.85	-40.47
O=C(C1=CC(C2=CNC3=CC=CC=C23)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195920	0	41	-1.0	-45.24	346.05	4.09	-41.15
O=C(C1=CC(C2=CNC3=CC=CC=C23)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195920	1	41	-1.0	-45.26	346.12	4.09	-41.17
CC1=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020195921	0	37	-1.0	-45.84	329.13	5.88	-39.96
CC1=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020195921	1	37	-1.0	-45.90	329.21	5.89	-40.01
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195922	0	42	-1.0	-46.91	320.86	4.66	-42.25
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195922	1	42	-1.0	-46.91	320.94	4.66	-42.25
CC(CO)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195923	0	45	-1.0	-48.86	376.46	-1.99	-50.85
CC(CO)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195923	1	45	-1.0	-48.87	376.54	-1.97	-50.84
CC(O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195924	0	45	-1.0	-48.82	379.88	-1.96	-50.78
CC(O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195924	1	45	-1.0	-48.84	379.95	-1.95	-50.79
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020195925	0	49	-1.0	-39.13	363.15	3.86	-35.27
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020195925	1	49	-1.0	-39.14	363.23	3.87	-35.27
O=C(C1=CC=CC(NCC2=CN=CS2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195926	0	41	-1.0	-46.06	351.27	3.42	-42.64
O=C(C1=CC=CC(NCC2=CN=CS2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195926	1	41	-1.0	-46.07	351.20	3.41	-42.66
CCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020195927	0	36	-1.0	-41.34	309.00	5.43	-35.91
CCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020195927	1	36	-1.0	-41.34	309.08	5.44	-35.90
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=NC=CC=C1Br	REAL300020195928	0	32	-1.0	-43.41	297.25	4.02	-39.39
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=NC=CC=C1Br	REAL300020195928	1	32	-1.0	-43.41	297.18	4.02	-39.39
O=C(NC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195929	0	37	-1.0	-37.85	328.93	3.31	-34.54
O=C(NC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195929	1	37	-1.0	-37.83	329.01	3.31	-34.52
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC(F)=C2)=NO1	REAL300020195930	0	39	-1.0	-43.76	339.41	6.06	-37.70
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC(F)=C2)=NO1	REAL300020195930	1	39	-1.0	-43.74	339.33	6.05	-37.69
O=C([C@@H](C1=CC=CC=C1)N1CC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195931	0	48	-1.0	-58.85	390.54	8.72	-50.13
O=C([C@@H](C1=CC=CC=C1)N1CC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195931	1	48	-1.0	-58.82	390.62	8.72	-50.10
COC1=CC=CC(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195932	0	37	-1.0	-41.14	316.50	3.96	-37.18
COC1=CC=CC(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195932	1	37	-1.0	-41.17	316.58	3.97	-37.20
O=C(C1=CC=CN(CC(F)(F)F)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195933	0	36	-1.0	-61.71	322.99	3.98	-57.73
O=C(C1=CC=CN(CC(F)(F)F)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195933	1	36	-1.0	-61.72	323.06	3.99	-57.73
COC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)S1	REAL300020195934	0	34	-1.0	-45.19	316.52	4.32	-40.87
COC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)S1	REAL300020195934	1	34	-1.0	-45.15	316.59	4.33	-40.82
CC1=CC(C#N)=CC(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195935	0	40	-1.0	-45.65	335.52	6.20	-39.45
CC1=CC(C#N)=CC(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195935	1	40	-1.0	-45.65	335.59	6.20	-39.45
O=C(CCN1SC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195936	0	39	-1.0	-49.35	344.73	5.19	-44.16
O=C(CCN1SC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195936	1	39	-1.0	-49.37	344.80	5.19	-44.18
CC1=CC(C)=NC(NC2=CC=C(O)C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020195937	0	47	-1.0	-47.65	389.71	5.33	-42.32
CC1=CC(C)=NC(NC2=CC=C(O)C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020195937	1	47	-1.0	-47.68	389.78	5.34	-42.34
O=C(C(F)=CC1=CC=C(F)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195938	0	37	-1.0	-39.71	334.52	6.21	-33.50
O=C(C(F)=CC1=CC=C(F)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195938	1	37	-1.0	-39.72	334.59	6.22	-33.50
NS(=O)(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020195939	0	32	-1.0	-57.93	294.88	-1.43	-59.36
NS(=O)(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020195939	1	32	-1.0	-57.96	294.96	-1.43	-59.39
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195940	0	38	-1.0	-44.54	344.07	6.65	-37.89
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195940	1	38	-1.0	-44.57	344.14	6.66	-37.91
CC1=CC=CN=C1OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195941	0	43	-1.0	-46.17	356.26	4.71	-41.46
CC1=CC=CN=C1OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195941	1	43	-1.0	-46.19	356.19	4.69	-41.50
O=C(C1CC2=CC(F)=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195942	0	38	-1.0	-42.32	315.84	2.92	-39.40
O=C(C1CC2=CC(F)=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195942	1	38	-1.0	-42.34	315.92	2.93	-39.41
COC1=CC=C(CCNC(=O)NC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195943	0	52	-1.0	-45.30	425.47	2.66	-42.64
COC1=CC=C(CCNC(=O)NC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195943	1	52	-1.0	-45.40	425.55	2.68	-42.72
CCC(C)C(NC(=O)NC1=CC(C)=CC=C1C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195944	0	57	-1.0	-42.67	430.71	5.84	-36.83
CCC(C)C(NC(=O)NC1=CC(C)=CC=C1C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195944	1	57	-1.0	-42.64	430.79	5.84	-36.80
O=C(C1CCOC2(CCCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195945	0	44	-1.0	-43.54	330.82	4.18	-39.36
O=C(C1CCOC2(CCCC2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195945	1	44	-1.0	-43.53	330.89	4.19	-39.34
CS(C)(=O)=NS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195946	0	43	-1.0	-59.22	373.89	0.27	-58.95
CS(C)(=O)=NS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195946	1	43	-1.0	-59.22	373.97	0.28	-58.94
CCS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195947	0	42	-1.0	-56.85	350.04	3.69	-53.16
CCS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195947	1	42	-1.0	-56.86	350.12	3.69	-53.17
CN1CCN(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)CC1	REAL300020195948	0	47	-1.0	-42.13	377.23	1.88	-40.25
CN1CCN(CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)CC1	REAL300020195948	1	47	-1.0	-42.18	377.30	1.89	-40.29
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)CC1	REAL300020195948	1	48	0.0	-69.65	380.19	4.26	-65.39
COC1=NSC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020195949	0	30	-1.0	-39.32	288.66	0.28	-39.04
COC1=NSC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020195949	1	30	-1.0	-39.24	288.59	0.27	-38.97
CC(C)(CO)C1=NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020195950	0	46	-1.0	-45.43	367.16	1.61	-43.82
CC(C)(CO)C1=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020195950	1	46	-1.0	-45.42	367.23	1.63	-43.79
CCN(CC(C)C)C1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020195951	0	49	-1.0	-47.45	401.73	6.63	-40.82
CCN(CC(C)C)C1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020195951	1	49	-1.0	-47.41	401.81	6.63	-40.78
CC1=CC=CC(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020195952	0	43	-1.0	-46.41	345.62	7.64	-38.77
CC1=CC=CC(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020195952	1	43	-1.0	-46.40	345.70	7.64	-38.76
CC(C)N1C=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195953	0	36	-1.0	-44.50	318.02	3.97	-40.53
CC(C)N1C=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020195953	1	36	-1.0	-44.52	317.95	3.97	-40.55
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(I)=N1	REAL300020195954	0	30	-1.0	-46.86	279.79	2.31	-44.55
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(I)=N1	REAL300020195954	1	30	-1.0	-46.89	279.72	2.30	-44.59
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195955	0	53	-1.0	-48.55	410.09	4.20	-44.35
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195955	1	53	-1.0	-48.59	410.16	4.21	-44.38
CCNC1=NC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195956	0	37	-1.0	-42.61	313.49	2.36	-40.25
CCNC1=NC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195956	1	37	-1.0	-42.62	313.57	2.37	-40.25
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(NC2CC2)=N1	REAL300020195957	0	38	-1.0	-42.41	323.72	3.28	-39.13
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(NC2CC2)=N1	REAL300020195957	1	38	-1.0	-42.39	323.79	3.30	-39.09
C=CCNC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195958	0	35	-1.0	-42.86	309.31	2.30	-40.56
C=CCNC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195958	1	35	-1.0	-42.81	309.24	2.30	-40.51
COC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=CC=C1	REAL300020195959	0	38	-1.0	-45.31	313.90	3.40	-41.91
COC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=CC=C1	REAL300020195959	1	38	-1.0	-45.33	313.97	3.41	-41.92
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195960	0	52	-1.0	-39.77	393.18	3.25	-36.52
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195960	1	52	-1.0	-39.77	393.26	3.25	-36.52
CC1=CC=CC=C1C1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195961	0	41	-1.0	-49.10	336.87	6.17	-42.93
CC1=CC=CC=C1C1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195961	1	41	-1.0	-49.12	336.94	6.19	-42.93
O=C(CC1=CC(Br)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195962	0	33	-1.0	-43.35	315.93	5.80	-37.55
O=C(CC1=CC(Br)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195962	1	33	-1.0	-43.36	316.00	5.80	-37.56
CC1=CC(C)=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020195963	0	39	-1.0	-54.77	323.02	2.80	-51.97
CC1=CC(C)=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020195963	1	39	-1.0	-54.76	323.10	2.81	-51.95
CNC(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195964	0	39	-1.0	-47.78	321.00	1.12	-46.66
CNC(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195964	1	39	-1.0	-47.72	321.08	1.14	-46.58
CC(C)[C@H](C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CC2=CC=CC=C2C1=O	REAL300020195965	0	47	-1.0	-59.62	369.65	7.72	-51.90
CC(C)[C@H](C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CC2=CC=CC=C2C1=O	REAL300020195965	1	47	-1.0	-59.60	369.73	7.74	-51.86
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300020195966	0	34	-1.0	-39.15	317.90	3.23	-35.92
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300020195966	1	34	-1.0	-39.19	317.97	3.26	-35.93
CC1=CSC(CNC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020195967	0	44	-1.0	-46.04	373.10	3.90	-42.14
CC1=CSC(CNC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020195967	1	44	-1.0	-46.04	373.03	3.88	-42.16
CC(C)(NC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195968	0	41	-1.0	-44.02	316.38	4.03	-39.99
CC(C)(NC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195968	1	41	-1.0	-44.09	316.45	4.05	-40.04
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CCCC2)=N1	REAL300020195969	0	43	-1.0	-46.97	337.65	4.58	-42.39
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CCCC2)=N1	REAL300020195969	1	43	-1.0	-47.01	337.73	4.59	-42.42
O=C(C1=CC(C2=CC=C(OC(F)(F)F)C=C2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195970	0	41	-1.0	-40.89	358.08	3.89	-37.00
O=C(C1=CC(C2=CC=C(OC(F)(F)F)C=C2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195970	1	41	-1.0	-40.93	358.15	3.89	-37.04
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CCCOCC2=CC=CC=C2)CC1	REAL300020195971	0	50	-1.0	-48.44	405.08	7.32	-41.12
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CCCOCC2=CC=CC=C2)CC1	REAL300020195971	1	50	-1.0	-48.44	405.15	7.34	-41.10
CC(NC(=O)OC(C)(C)C)C1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020195972	0	49	-1.0	-45.33	407.47	2.77	-42.56
CC(NC(=O)OC(C)(C)C)C1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020195972	1	49	-1.0	-45.31	407.55	2.78	-42.53
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020195973	0	51	-1.0	-45.09	395.08	5.56	-39.53
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020195973	1	51	-1.0	-45.08	395.15	5.56	-39.52
CC(C)(C)OC(=O)N1CCC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CN=C21	REAL300020195974	0	50	-1.0	-44.68	397.75	5.99	-38.69
CC(C)(C)OC(=O)N1CCC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CN=C21	REAL300020195974	1	50	-1.0	-44.67	397.68	5.99	-38.68
CC(C)(C)OC(=O)N1CCC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020195975	0	51	-1.0	-43.46	400.20	6.52	-36.94
CC(C)(C)OC(=O)N1CCC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020195975	1	51	-1.0	-43.44	400.28	6.52	-36.92
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020195976	0	51	-1.0	-42.47	388.90	5.37	-37.10
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020195976	1	51	-1.0	-42.43	388.97	5.37	-37.06
CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195977	0	51	-1.0	-48.37	385.77	5.92	-42.45
CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195977	1	51	-1.0	-48.37	385.84	5.93	-42.44
CCOC(=O)N1CSCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195978	0	39	-1.0	-48.83	328.73	3.55	-45.28
CCOC(=O)N1CSCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195978	1	39	-1.0	-48.83	328.81	3.56	-45.27
CN1N=CC(NC(=O)OC(C)(C)C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195979	0	47	-1.0	-40.39	383.03	1.85	-38.54
CN1N=CC(NC(=O)OC(C)(C)C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195979	1	47	-1.0	-40.35	383.10	1.87	-38.48
CC(C)CC(C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195980	0	58	-1.0	-48.08	420.15	4.55	-43.53
CC(C)CC(C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195980	1	58	-1.0	-48.05	420.22	4.57	-43.48
CC1CCC(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020195981	0	47	-1.0	-41.45	361.27	6.30	-35.15
CC1CCC(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020195981	1	47	-1.0	-41.42	361.34	6.31	-35.11
O=C(C1=CC=C(N2CCCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195982	0	48	-1.0	-43.38	355.17	5.24	-38.14
O=C(C1=CC=C(N2CCCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195982	1	48	-1.0	-43.40	355.24	5.25	-38.15
CC(SC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195983	0	37	-1.0	-43.67	321.43	5.67	-38.00
CC(SC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195983	1	37	-1.0	-43.69	321.51	5.68	-38.01
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195984	0	43	-1.0	-43.54	354.32	7.79	-35.75
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195984	1	43	-1.0	-43.59	354.39	7.79	-35.80
O=C(C1=CC=C(CN2C=CN=N2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195985	0	36	-1.0	-49.15	315.52	2.69	-46.46
O=C(C1=CC=C(CN2C=CN=N2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195985	1	36	-1.0	-49.11	315.45	2.69	-46.42
O=C(C1=CN(C2=CC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195986	0	36	-1.0	-47.60	308.04	4.15	-43.45
O=C(C1=CN(C2=CC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195986	1	36	-1.0	-47.60	307.97	4.13	-43.47
CC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020195987	0	36	-1.0	-44.72	316.19	5.87	-38.85
CC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020195987	1	36	-1.0	-44.72	316.27	5.88	-38.84
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195988	0	35	-1.0	-49.55	321.40	5.81	-43.74
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195988	1	35	-1.0	-49.56	321.48	5.83	-43.73
O=CC1=CC=C(C2=CC=C(O)C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020195989	0	40	-1.0	-48.91	347.71	3.18	-45.73
O=CC1=CC=C(C2=CC=C(O)C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020195989	1	40	-1.0	-48.97	347.78	3.19	-45.78
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020195989	1	39	-2.0	-97.74	344.14	4.08	-93.66
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020195989	1	39	-2.0	-97.78	344.22	4.10	-93.68
O=C(C1=CC=NC(Cl)=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020195990	0	29	-1.0	-42.21	282.55	2.92	-39.29
O=C(C1=CC=NC(Cl)=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020195990	1	29	-1.0	-42.15	282.48	2.91	-39.24
O=C(C1=NN2CCCC(O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195991	0	38	-1.0	-46.20	310.93	0.29	-45.91
O=C(C1=NN2CCCC(O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195991	1	38	-1.0	-46.20	311.00	0.29	-45.91
O=C(C1=C(F)N2C=C(Br)C=CC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195992	0	33	-1.0	-44.14	310.51	5.47	-38.67
O=C(C1=C(F)N2C=C(Br)C=CC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195992	1	33	-1.0	-44.15	310.44	5.47	-38.68
O=C(C1=C2N=CNC2=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195993	0	33	-1.0	-54.96	292.19	3.62	-51.34
O=C(C1=C2N=CNC2=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195993	1	33	-1.0	-54.95	292.26	3.62	-51.33
O=C(C1=C2NC=NC2=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195993	1	33	-1.0	-44.76	292.23	3.62	-41.14
O=C(C1=C2NC=NC2=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195993	1	33	-1.0	-44.79	292.31	3.63	-41.16
O=C(C1=NC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195994	0	32	-1.0	-40.03	301.39	4.25	-35.78
O=C(C1=NC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195994	1	32	-1.0	-39.99	301.31	4.24	-35.75
O=C(C1=CC2=NC=CN=C2C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195995	0	34	-1.0	-45.19	306.43	2.72	-42.47
O=C(C1=CC2=NC=CN=C2C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195995	1	34	-1.0	-45.20	306.36	2.72	-42.48
CC1=CC(C)=NN1CCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195996	0	42	-1.0	-50.26	347.17	4.63	-45.63
CC1=CC(C)=NN1CCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195996	1	42	-1.0	-50.26	347.25	4.64	-45.62
CC1=C(Br)C=CC(F)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195997	0	33	-1.0	-42.35	303.65	5.02	-37.33
CC1=C(Br)C=CC(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195997	1	33	-1.0	-42.34	303.73	5.02	-37.32
CC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CCS(=O)(=O)N1	REAL300020195998	0	38	-1.0	-55.46	311.97	-1.08	-56.54
CC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CCS(=O)(=O)N1	REAL300020195998	1	38	-1.0	-55.42	312.05	-1.08	-56.50
O=C(C1=CC=NC2=CC(Cl)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195999	0	35	-1.0	-42.87	309.15	4.59	-38.28
O=C(C1=CC=NC2=CC(Cl)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195999	1	35	-1.0	-42.86	309.08	4.58	-38.28
O=C(C1=CC=C2OCCNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196000	0	39	-1.0	-47.75	318.35	0.77	-46.98
O=C(C1=CC=C2OCCNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196000	1	39	-1.0	-47.78	318.42	0.79	-46.99
O=C(CC1C(=O)NC2=C(F)C=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020196001	0	38	-1.0	-53.87	324.05	4.55	-49.32
O=C(CC1C(=O)NC2=C(F)C=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020196001	1	38	-1.0	-53.86	324.13	4.57	-49.29
COC1=CC=CC(CC(C)CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196002	0	46	-1.0	-46.56	365.77	6.06	-40.50
COC1=CC=CC(CC(C)CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196002	1	46	-1.0	-46.56	365.84	6.06	-40.50
O=C(CC1CCCC(C(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196003	0	40	-1.0	-47.45	334.00	4.86	-42.59
O=C(CC1CCCC(C(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196003	1	40	-1.0	-47.44	334.08	4.86	-42.58
COC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CS(=O)(=O)C1	REAL300020196004	0	34	-1.0	-47.52	286.74	-0.91	-48.43
COC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CS(=O)(=O)C1	REAL300020196004	1	34	-1.0	-47.52	286.81	-0.89	-48.41
O=C([C@H]1CC[C@H](NC2=CN=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196005	0	46	-1.0	-39.83	363.26	3.24	-36.59
O=C([C@H]1CC[C@H](NC2=CN=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196005	1	46	-1.0	-39.84	363.18	3.22	-36.62
CC(C)(C1=NN=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1)S(C)(=O)=O	REAL300020196006	0	40	-1.0	-54.07	345.69	-3.88	-57.95
CC(C)(C1=NN=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1)S(C)(=O)=O	REAL300020196006	1	40	-1.0	-54.05	345.62	-3.88	-57.93
O=C([C@H]1CC[C@H](NC2=NC=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196007	0	46	-1.0	-40.55	366.83	5.88	-34.67
O=C([C@H]1CC[C@H](NC2=NC=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196007	1	46	-1.0	-40.51	366.75	5.88	-34.63
O=C(C1CS(=O)(=O)CC(=O)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196008	0	34	-1.0	-50.79	294.92	-3.46	-54.25
O=C(C1CS(=O)(=O)CC(=O)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196008	1	34	-1.0	-50.79	294.99	-3.45	-54.24
O=C(C1=CC2=CC=C(Br)C=C2C(=O)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196009	0	35	-1.0	-41.37	324.07	5.88	-35.49
O=C(C1=CC2=CC=C(Br)C=C2C(=O)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196009	1	35	-1.0	-41.30	324.15	5.89	-35.41
O=C(C1=NC=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196010	0	28	-1.0	-42.62	266.68	2.54	-40.08
O=C(C1=NC=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196010	1	28	-1.0	-42.61	266.61	2.54	-40.07
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196011	0	52	0.0	-69.62	410.36	7.26	-62.36
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196011	1	52	0.0	-69.67	410.44	7.27	-62.40
COC(=O)C1=CC=CN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020196012	0	39	-1.0	-57.89	337.82	4.87	-53.02
COC(=O)C1=CC=CN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020196012	1	39	-1.0	-57.92	337.89	4.87	-53.05
O=C(C1CCCN(CC(F)(F)F)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196013	0	40	-1.0	-47.26	333.45	3.48	-43.78
O=C(C1CCCN(CC(F)(F)F)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196013	1	40	-1.0	-47.26	333.53	3.48	-43.78
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N1CC1=CC=CC=C1	REAL300020196014	0	50	-1.0	-46.79	412.17	9.97	-36.82
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N1CC1=CC=CC=C1	REAL300020196014	1	50	-1.0	-46.78	412.24	9.97	-36.81
O=CC1=CNC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020196015	0	36	-1.0	-47.95	305.13	3.36	-44.59
O=CC1=CNC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020196015	1	36	-1.0	-48.00	305.21	3.37	-44.63
COC(=O)C1=CC(F)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196016	0	36	-1.0	-41.65	311.23	4.28	-37.37
COC(=O)C1=CC(F)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196016	1	36	-1.0	-41.66	311.30	4.29	-37.37
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196017	0	34	-2.0	-82.90	331.00	2.29	-80.61
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196017	1	34	-2.0	-82.85	331.07	2.29	-80.56
COC1=C(Cl)C=C(O)C(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196017	1	35	-1.0	-43.13	334.51	1.54	-41.59
COC1=C(Cl)C=C(O)C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196017	1	35	-1.0	-43.15	334.59	1.54	-41.61
O=CC1=CC=CN1C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196018	0	43	-1.0	-49.46	363.56	7.29	-42.17
O=CC1=CC=CN1C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196018	1	43	-1.0	-49.47	363.63	7.30	-42.17
C=CC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020196019	0	51	-1.0	-48.26	399.74	4.92	-43.34
C=CC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020196019	1	51	-1.0	-48.29	399.82	4.93	-43.36
CC(C)C[NH+]1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020196020	0	48	0.0	-55.01	356.35	6.10	-48.91
CC(C)C[NH+]1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020196020	1	48	0.0	-55.02	356.42	6.12	-48.90
O=C(C1CC2(C1)CS(=O)(=O)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196021	0	37	-1.0	-49.54	315.14	0.79	-48.75
O=C(C1CC2(C1)CS(=O)(=O)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196021	1	37	-1.0	-49.56	315.21	0.80	-48.76
NS(=O)(=O)C1=C(Cl)OC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196022	0	32	-1.0	-43.62	310.04	-2.44	-46.06
NS(=O)(=O)C1=C(Cl)OC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196022	1	32	-1.0	-43.65	310.11	-2.43	-46.08
O=C(C1=CN(C(F)(F)CO)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196023	0	33	-1.0	-43.07	297.60	-1.78	-44.85
O=C(C1=CN(C(F)(F)CO)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196023	1	33	-1.0	-43.04	297.53	-1.80	-44.84
COC1=NSC(OC)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196024	0	34	-1.0	-46.26	309.26	-0.73	-46.99
COC1=NSC(OC)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196024	1	34	-1.0	-46.28	309.19	-0.73	-47.01
CN1N=C(C(F)(F)F)C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020196025	0	38	-1.0	-41.06	335.98	3.73	-37.33
CN1N=C(C(F)(F)F)C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020196025	1	38	-1.0	-41.05	335.91	3.72	-37.33
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CCC2=CC=CC=C2)CC1	REAL300020196026	0	43	-1.0	-43.31	349.55	7.26	-36.05
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CCC2=CC=CC=C2)CC1	REAL300020196026	1	43	-1.0	-43.31	349.62	7.28	-36.03
O=C(C1=CC=CC=C1S(=O)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196027	0	35	-1.0	-58.20	315.67	4.39	-53.81
O=C(C1=CC=CC=C1S(=O)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196027	1	35	-1.0	-58.22	315.75	4.39	-53.83
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCOC2=CC=CC=C21	REAL300020196028	0	41	-1.0	-45.58	315.37	4.32	-41.26
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCOC2=CC=CC=C21	REAL300020196028	1	41	-1.0	-45.56	315.44	4.33	-41.23
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCCO1	REAL300020196029	0	41	-1.0	-42.12	327.15	5.16	-36.96
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCCO1	REAL300020196029	1	41	-1.0	-42.08	327.22	5.18	-36.90
CC1=C(C)C2=C(CCC(C)(C(=O)N3CCC(C4=N[N-]N=N4)C3)O2)C(C)=C1O	REAL300020196030	0	51	-1.0	-45.10	379.60	4.03	-41.07
CC1=C(C)C2=C(CCC(C)(C(=O)N3CCC(C4=NN=N[N-]4)C3)O2)C(C)=C1O	REAL300020196030	1	51	-1.0	-45.11	379.67	4.04	-41.07
COC1=CC(C=O)=CC(Cl)=C1OC(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196031	0	43	-1.0	-49.84	373.52	5.36	-44.48
COC1=CC(C=O)=CC(Cl)=C1OC(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196031	1	43	-1.0	-49.90	373.59	5.37	-44.53
O=C(C=CC1=CC=C(C2=CC=CC=C2Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196032	0	41	-1.0	-44.11	374.94	8.52	-35.59
O=C(C=CC1=CC=C(C2=CC=CC=C2Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196032	1	41	-1.0	-44.08	375.02	8.53	-35.55
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(CS(C)(=O)=O)=N1	REAL300020196033	0	41	-1.0	-56.74	370.61	0.78	-55.96
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(CS(C)(=O)=O)=N1	REAL300020196033	1	41	-1.0	-56.74	370.68	0.78	-55.96
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020196034	0	30	-2.0	-90.21	293.35	3.72	-86.49
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020196034	1	30	-2.0	-90.21	293.42	3.74	-86.47
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2NC1=O	REAL300020196035	0	39	-1.0	-44.30	325.86	3.43	-40.87
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2NC1=O	REAL300020196035	1	39	-1.0	-44.34	325.94	3.44	-40.90
CC1=CC(C=O)=C(O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196036	0	36	-1.0	-50.43	306.70	3.34	-47.09
CC1=CC(C=O)=C(O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196036	1	36	-1.0	-50.47	306.77	3.35	-47.12
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196036	1	35	-2.0	-109.42	303.13	4.41	-105.01
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196036	1	35	-2.0	-109.39	303.21	4.42	-104.97
COC(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020196037	0	33	-1.0	-51.14	296.72	4.35	-46.79
COC(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020196037	1	33	-1.0	-51.14	296.79	4.36	-46.78
O=C(CC1=CC=CC2=NSN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020196038	0	34	-1.0	-49.42	305.00	3.09	-46.33
O=C(CC1=CC=CC2=NSN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020196038	1	34	-1.0	-49.40	305.08	3.10	-46.30
COC12CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(CC1)C(=O)C2	REAL300020196039	0	43	-1.0	-43.90	318.71	2.61	-41.29
COC12CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(CC1)C(=O)C2	REAL300020196039	1	43	-1.0	-43.91	318.78	2.62	-41.29
CC(O)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020196040	0	37	-1.0	-41.77	304.03	2.40	-39.37
CC(O)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020196040	1	37	-1.0	-41.76	304.10	2.41	-39.35
CC1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1I	REAL300020196041	0	30	-1.0	-39.86	278.70	2.18	-37.68
CC1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1I	REAL300020196041	1	30	-1.0	-39.87	278.77	2.18	-37.69
CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196042	0	36	-1.0	-48.78	316.34	-0.67	-49.45
CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196042	1	36	-1.0	-48.82	316.41	-0.66	-49.48
COC1=CC=C2NC=CC2=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196043	0	38	-1.0	-51.90	320.25	3.25	-48.65
COC1=CC=C2NC=CC2=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196043	1	38	-1.0	-51.94	320.33	3.27	-48.67
CN(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C=O	REAL300020196044	0	40	-1.0	-44.38	325.38	3.91	-40.47
CN(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C=O	REAL300020196044	1	40	-1.0	-44.37	325.45	3.91	-40.46
CN1CCN2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2S1(=O)=O	REAL300020196045	0	39	-1.0	-58.52	328.82	-1.11	-59.63
CN1CCN2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2S1(=O)=O	REAL300020196045	1	39	-1.0	-58.52	328.74	-1.13	-59.65
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(O)C1	REAL300020196046	0	51	-1.0	-44.94	393.29	-0.05	-44.99
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(O)C1	REAL300020196046	1	51	-1.0	-44.95	393.36	-0.03	-44.98
CC1CC2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C[N@@H+]2C1	REAL300020196047	0	46	0.0	-62.41	344.04	5.72	-56.69
CC1CC2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C[N@H+]2C1	REAL300020196047	1	46	0.0	-47.51	334.10	5.72	-41.79
CC1CC2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C[N@@H+]2C1	REAL300020196047	1	46	0.0	-62.42	344.11	5.73	-56.69
CC1CC2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C[N@H+]2C1	REAL300020196047	1	46	0.0	-47.53	334.17	5.72	-41.81
O=C(C1=CN2C=CNC(=O)C2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196048	0	33	-1.0	-53.66	288.79	1.88	-51.78
O=C(C1=CN2C=CNC(=O)C2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196048	1	33	-1.0	-53.66	288.86	1.90	-51.76
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(C2=N[N-]N=N2)C1	REAL300020196049	0	46	0.0	-69.68	327.53	5.04	-64.64
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(C2=N[N-]N=N2)C1	REAL300020196049	1	46	0.0	-47.82	330.41	5.85	-41.97
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(C2=NN=N[N-]2)C1	REAL300020196049	1	46	0.0	-69.72	327.60	5.05	-64.67
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(C2=NN=N[N-]2)C1	REAL300020196049	1	46	0.0	-47.88	330.49	5.87	-42.01
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=NC=C2)CC2(CCC2)C1	REAL300020196050	0	46	-1.0	-44.45	355.71	5.95	-38.50
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=NC=C2)CC2(CCC2)C1	REAL300020196050	1	46	-1.0	-44.43	355.64	5.94	-38.49
CCOC(=O)NC1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196051	0	41	-1.0	-44.98	348.81	2.94	-42.04
CCOC(=O)NC1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196051	1	41	-1.0	-44.94	348.89	2.95	-41.99
CN1C=C(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2=O)C=N1	REAL300020196052	0	44	-1.0	-42.77	353.45	3.23	-39.54
CN1C=C(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2=O)C=N1	REAL300020196052	1	44	-1.0	-42.73	353.38	3.22	-39.51
CCOC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020196053	0	41	-1.0	-48.56	357.10	3.37	-45.19
CCOC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020196053	1	41	-1.0	-48.55	357.17	3.37	-45.18
COC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020196054	0	38	-1.0	-48.92	335.32	2.43	-46.49
COC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020196054	1	38	-1.0	-48.88	335.39	2.44	-46.44
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020196055	0	37	-1.0	-45.95	320.95	3.07	-42.88
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020196055	1	37	-1.0	-45.94	321.02	3.09	-42.85
O=C(CC1CC(=O)NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020196056	0	41	-1.0	-47.55	334.49	3.75	-43.80
O=C(CC1CC(=O)NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020196056	1	41	-1.0	-47.50	334.56	3.76	-43.74
COC(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020196057	0	38	-1.0	-49.73	321.97	1.89	-47.84
COC(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020196057	1	38	-1.0	-49.74	322.04	1.89	-47.85
COC(=O)C1CCCN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020196058	0	43	-1.0	-51.07	353.60	4.33	-46.74
COC(=O)C1CCCN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020196058	1	43	-1.0	-51.11	353.68	4.34	-46.77
CC1=C(Br)OC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196059	0	30	-1.0	-38.85	279.80	3.43	-35.42
CC1=C(Br)OC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196059	1	30	-1.0	-38.88	279.87	3.44	-35.44
COC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020196060	0	41	-1.0	-47.51	338.85	2.55	-44.96
COC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020196060	1	41	-1.0	-47.52	338.93	2.56	-44.96
O=C(C1=CC=C2C(=C1)NC(=O)N2CC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196061	0	44	-1.0	-45.87	361.45	4.92	-40.95
O=C(C1=CC=C2C(=C1)NC(=O)N2CC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196061	1	44	-1.0	-45.93	361.52	4.93	-41.00
CC1=C(Br)C=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196062	0	33	-1.0	-38.67	296.72	4.91	-33.76
CC1=C(Br)C=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196062	1	33	-1.0	-38.70	296.80	4.91	-33.79
CNC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196063	0	39	-1.0	-49.13	321.27	1.07	-48.06
CNC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196063	1	39	-1.0	-49.13	321.35	1.08	-48.05
CCOC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196064	0	41	-1.0	-43.33	357.49	3.37	-39.96
CCOC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196064	1	41	-1.0	-43.32	357.56	3.38	-39.94
O=C(CC1C(=O)NC2=C(Br)C=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020196065	0	38	-1.0	-52.70	338.60	5.10	-47.60
O=C(CC1C(=O)NC2=C(Br)C=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020196065	1	38	-1.0	-52.70	338.67	5.11	-47.59
CC1=NN(CC(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196066	0	36	-1.0	-48.48	306.47	3.19	-45.29
CC1=NN(CC(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196066	1	36	-1.0	-48.51	306.54	3.21	-45.30
CC(C)CN1C=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020196067	0	42	-1.0	-60.66	342.28	4.94	-55.72
CC(C)CN1C=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020196067	1	42	-1.0	-60.67	342.36	4.94	-55.73
O=C(C1=NC(Br)=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020196068	0	33	-1.0	-44.73	302.03	5.41	-39.32
O=C(C1=NC(Br)=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020196068	1	33	-1.0	-44.76	301.95	5.40	-39.36
CC1=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C3=CC=CS3)N=C2C=C1	REAL300020196069	0	45	-1.0	-43.39	383.52	7.47	-35.92
CC1=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C3=CC=CS3)N=C2C=C1	REAL300020196069	1	45	-1.0	-43.40	383.45	7.45	-35.95
O=C(CN1N=C(C(F)(F)F)C2=C1CCOC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196070	0	41	-1.0	-48.69	356.72	3.06	-45.63
O=C(CN1N=C(C(F)(F)F)C2=C1CCOC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196070	1	41	-1.0	-48.70	356.79	3.07	-45.63
CCC(C)(C)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196071	0	45	-1.0	-41.78	327.35	6.12	-35.66
CCC(C)(C)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196071	1	45	-1.0	-41.78	327.43	6.14	-35.64
CC(C)(C)CC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196072	0	45	-1.0	-43.62	338.60	6.89	-36.73
CC(C)(C)CC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196072	1	45	-1.0	-43.60	338.68	6.90	-36.70
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C3OCOC3=C2)CC1	REAL300020196073	0	40	-1.0	-46.77	332.43	4.38	-42.39
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C3OCOC3=C2)CC1	REAL300020196073	1	40	-1.0	-46.74	332.51	4.39	-42.35
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC2(CC1)OCCO2	REAL300020196074	0	45	-1.0	-45.66	329.27	2.99	-42.67
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC2(CC1)OCCO2	REAL300020196074	1	45	-1.0	-45.63	329.35	3.00	-42.63
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2N1	REAL300020196075	0	42	-1.0	-50.61	342.19	2.98	-47.63
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2N1	REAL300020196075	1	42	-1.0	-50.61	342.12	2.97	-47.64
CCC1CCC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(=O)N2)C1	REAL300020196076	0	46	-1.0	-53.13	366.92	4.53	-48.60
CCC1CCC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(=O)N2)C1	REAL300020196076	1	46	-1.0	-53.12	366.99	4.54	-48.58
CCS(=O)(=O)C1=CNC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196077	0	39	-1.0	-60.12	347.33	-0.76	-60.88
CCS(=O)(=O)C1=CNC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196077	1	39	-1.0	-60.15	347.40	-0.75	-60.90
O=C(C1=CC=C(Br)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196078	0	30	-1.0	-53.20	285.95	1.35	-51.85
O=C(C1=CC=C(Br)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196078	1	30	-1.0	-53.20	286.03	1.37	-51.83
O=C(C1=CC=C(C2CC2)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196079	0	37	-1.0	-56.78	314.26	3.10	-53.68
O=C(C1=CC=C(C2CC2)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196079	1	37	-1.0	-56.75	314.34	3.11	-53.64
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)S1	REAL300020196080	0	39	-1.0	-46.58	340.82	6.02	-40.56
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)S1	REAL300020196080	1	39	-1.0	-46.58	340.89	6.03	-40.55
CC1=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C(Br)C=C1	REAL300020196081	0	37	-1.0	-43.12	326.55	5.34	-37.78
CC1=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C(Br)C=C1	REAL300020196081	1	37	-1.0	-43.09	326.62	5.36	-37.73
CC(C)(C)C1=CC=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020196082	0	46	-1.0	-42.02	360.27	6.41	-35.61
CC(C)(C)C1=CC=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020196082	1	46	-1.0	-42.00	360.34	6.43	-35.57
CC1=CC=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1Br	REAL300020196083	0	37	-1.0	-43.77	323.39	5.27	-38.50
CC1=CC=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1Br	REAL300020196083	1	37	-1.0	-43.80	323.46	5.28	-38.52
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CC(C)(C)OC(=O)NCCCSCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196086	1	53	-1.0	-45.98	435.00	4.49	-41.49
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CSCC[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196087	1	53	-1.0	-48.83	425.23	4.60	-44.23
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196088	0	53	-1.0	-39.05	406.57	3.99	-35.06
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196088	1	53	-1.0	-39.08	406.64	3.99	-35.09
C[C@@H]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN1C(=O)OC(C)(C)C	REAL300020196089	0	53	-1.0	-46.97	398.54	5.29	-41.68
C[C@@H]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN1C(=O)OC(C)(C)C	REAL300020196089	1	53	-1.0	-46.96	398.62	5.29	-41.67
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CC1=C(C)N2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020196091	0	39	-1.0	-48.49	316.22	4.54	-43.95
CC1=C(C)N2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020196091	1	39	-1.0	-48.45	316.14	4.54	-43.91
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020196092	0	51	-1.0	-48.15	403.88	6.71	-41.44
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020196092	1	51	-1.0	-48.16	403.96	6.73	-41.43
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196093	0	53	-1.0	-50.51	410.85	5.42	-45.09
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196093	1	53	-1.0	-50.52	410.92	5.43	-45.09
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196094	0	53	-1.0	-45.33	401.53	4.77	-40.56
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196094	1	53	-1.0	-45.34	401.61	4.77	-40.57
CC(C)(C)C1=CC=C(CSCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196095	0	49	-1.0	-45.65	401.36	8.48	-37.17
CC(C)(C)C1=CC=C(CSCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196095	1	49	-1.0	-45.67	401.44	8.49	-37.18
O=C(C1=CC(C2=CC=CC=C2)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196096	0	39	-1.0	-45.20	324.34	6.19	-39.01
O=C(C1=CC(C2=CC=CC=C2)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196096	1	39	-1.0	-45.19	324.27	6.17	-39.02
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NC=CC=C12	REAL300020196097	0	38	-1.0	-52.39	312.33	4.84	-47.55
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020196097	1	38	-1.0	-52.41	312.40	4.85	-47.56
CC(NC(=O)OC(C)(C)C)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020196098	0	57	-1.0	-45.67	411.30	2.35	-43.32
CC(NC(=O)OC(C)(C)C)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020196098	1	57	-1.0	-45.69	411.38	2.35	-43.34
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCCC1	REAL300020196099	0	59	-1.0	-40.29	426.42	5.12	-35.17
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCCC1	REAL300020196099	1	59	-1.0	-40.27	426.50	5.12	-35.15
O=C(C1=C2C=COC2=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196100	0	33	-1.0	-44.23	287.91	4.12	-40.11
O=C(C1=C2C=COC2=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196100	1	33	-1.0	-44.26	288.01	4.14	-40.12
O=C(C1=C2C=COC2=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196101	0	33	-1.0	-43.82	298.21	4.57	-39.25
O=C(C1=C2C=COC2=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196101	1	33	-1.0	-43.82	298.30	4.59	-39.23
CC(C)(C)OC(=O)N1C2CCC1(C(=O)N1CCC(C3=N[N-]N=N3)C1)CC2	REAL300020196102	0	51	-1.0	-51.56	377.99	5.53	-46.03
CC(C)(C)OC(=O)N1C2CCC1(C(=O)N1CCC(C3=NN=N[N-]3)C1)CC2	REAL300020196102	1	51	-1.0	-51.55	378.06	5.53	-46.02
O=C(C1=C(F)C=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196103	0	33	-1.0	-46.98	292.53	2.65	-44.33
O=C(C1=C(F)C=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196103	1	33	-1.0	-46.98	292.61	2.67	-44.31
COC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1C1=CC=CC=C1	REAL300020196104	0	43	-1.0	-41.68	354.39	6.14	-35.54
COC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1C1=CC=CC=C1	REAL300020196104	1	43	-1.0	-41.73	354.46	6.16	-35.57
CC1=CC(I)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196105	0	33	-1.0	-43.09	299.23	5.31	-37.78
CC1=CC(I)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196105	1	33	-1.0	-43.12	299.31	5.33	-37.79
O=C(C1=C2OC=CC2=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196106	0	33	-1.0	-45.25	288.45	4.15	-41.10
O=C(C1=C2OC=CC2=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196106	1	33	-1.0	-45.29	288.53	4.15	-41.14
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196107	0	36	-1.0	-45.24	319.82	5.35	-39.89
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196107	1	36	-1.0	-45.22	319.89	5.36	-39.86
CN1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)N(C(=O)OC(C)(C)C)CC1=O	REAL300020196108	0	51	-1.0	-49.39	395.11	3.50	-45.89
CN1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)N(C(=O)OC(C)(C)C)CC1=O	REAL300020196108	1	51	-1.0	-49.39	395.18	3.51	-45.88
COC1=CC=C(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NN2C)C=C1OC	REAL300020196109	0	48	-1.0	-48.49	390.41	4.40	-44.09
COC1=CC=C(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NN2C)C=C1OC	REAL300020196109	1	48	-1.0	-48.52	390.33	4.39	-44.13
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196110	0	49	0.0	-71.50	377.50	7.35	-64.15
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196110	1	49	0.0	-70.90	375.74	7.28	-63.62
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196110	1	49	0.0	-71.52	377.58	7.36	-64.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196110	1	49	0.0	-70.92	375.81	7.29	-63.63
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2C1	REAL300020196111	0	53	-1.0	-45.35	415.77	5.89	-39.46
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2C1	REAL300020196111	1	53	-1.0	-45.35	415.85	5.89	-39.46
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020196112	0	51	-1.0	-56.08	396.62	6.38	-49.70
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020196112	1	51	-1.0	-56.08	396.70	6.38	-49.70
CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020196113	0	54	-1.0	-49.59	424.12	7.52	-42.07
CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020196113	1	54	-1.0	-49.60	424.19	7.53	-42.07
COCCCOC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020196114	0	47	-1.0	-45.48	377.44	4.50	-40.98
COCCCOC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020196114	1	47	-1.0	-45.45	377.52	4.51	-40.94
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196115	0	53	-1.0	-36.98	413.74	4.20	-32.78
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196115	1	53	-1.0	-36.97	413.81	4.21	-32.76
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196116	0	52	-1.0	-44.15	395.30	3.77	-40.38
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196116	1	52	-1.0	-44.11	395.38	3.78	-40.33
CN1N=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196117	0	47	-1.0	-40.41	372.43	2.41	-38.00
CN1N=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196117	1	47	-1.0	-40.42	372.51	2.42	-38.00
CN1N=CC(NC(=O)OC(C)(C)C)=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196118	0	53	-1.0	-45.80	423.79	3.34	-42.46
CN1N=CC(NC(=O)OC(C)(C)C)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196118	1	53	-1.0	-45.80	423.86	3.36	-42.44
COC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020196119	0	40	-1.0	-43.32	330.46	4.94	-38.38
COC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020196119	1	40	-1.0	-43.37	330.53	4.96	-38.41
CC1=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C3=CC=CO3)N=C2C=C1	REAL300020196120	0	45	-1.0	-44.53	375.70	6.55	-37.98
CC1=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C3=CC=CO3)N=C2C=C1	REAL300020196120	1	45	-1.0	-44.50	375.62	6.53	-37.97
CCC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196121	0	55	-1.0	-41.24	411.53	4.52	-36.72
CCC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196121	1	55	-1.0	-41.23	411.60	4.54	-36.69
CC(C)(C)OC(=O)NC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020196122	0	55	-1.0	-49.20	412.53	4.62	-44.58
CC(C)(C)OC(=O)NC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020196122	1	55	-1.0	-49.18	412.61	4.64	-44.54
O=C(C=CC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196123	0	34	-1.0	-43.09	306.61	5.75	-37.34
O=C(C=CC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196123	1	34	-1.0	-43.08	306.68	5.76	-37.32
CCOC1=CC2=C(C=C1C=CC(=O)N1CCC(C3=N[N-]N=N3)C1)OC(C)C2	REAL300020196124	0	49	-1.0	-47.52	396.95	6.09	-41.43
CCOC1=CC2=C(C=C1C=CC(=O)N1CCC(C3=NN=N[N-]3)C1)OC(C)C2	REAL300020196124	1	49	-1.0	-47.51	397.02	6.11	-41.40
CC(C)(C)C1=NC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020196125	0	42	-1.0	-43.99	356.25	4.99	-39.00
CC(C)(C)C1=NC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020196125	1	42	-1.0	-44.03	356.33	5.01	-39.02
O=C(C=CC1=CC=C(C2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196126	0	41	-1.0	-44.23	364.41	8.08	-36.15
O=C(C=CC1=CC=C(C2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196126	1	41	-1.0	-44.24	364.49	8.10	-36.14
CS(=O)(=O)NC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196127	0	42	-1.0	-51.28	363.21	1.94	-49.34
CS(=O)(=O)NC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196127	1	42	-1.0	-51.31	363.29	1.95	-49.36
CCC(C)OC1=CC=CC=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196128	0	47	-1.0	-47.36	378.80	6.96	-40.40
CCC(C)OC1=CC=CC=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196128	1	47	-1.0	-47.35	378.88	6.97	-40.38
O=C(C=CC1=NC2=CC(Cl)=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196129	0	39	-1.0	-45.25	350.36	6.36	-38.89
O=C(C=CC1=NC2=CC(Cl)=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196129	1	39	-1.0	-45.26	350.43	6.37	-38.89
O=C(C=CC1=CC=CC(OC2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196130	0	48	-1.0	-44.18	383.96	7.42	-36.76
O=C(C=CC1=CC=CC(OC2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196130	1	48	-1.0	-44.18	384.03	7.43	-36.75
O=C(C1=CNC=C1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196131	0	41	-1.0	-50.12	331.59	5.94	-44.18
O=C(C1=CNC=C1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196131	1	41	-1.0	-50.10	331.67	5.95	-44.15
O=C(C1=CN2N=CC(Br)=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196132	0	33	-1.0	-41.41	309.62	4.36	-37.05
O=C(C1=CN2N=CC(Br)=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196132	1	33	-1.0	-41.37	309.55	4.35	-37.02
CCC1=CC=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196133	0	36	-1.0	-41.21	313.11	5.63	-35.58
CCC1=CC=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196133	1	36	-1.0	-41.22	313.19	5.64	-35.58
COC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196134	0	34	-1.0	-42.11	300.65	3.48	-38.63
COC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196134	1	34	-1.0	-42.10	300.73	3.49	-38.61
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196135	0	50	0.0	-72.36	398.03	6.92	-65.44
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196135	1	50	0.0	-72.39	398.10	6.94	-65.45
O=C(CC1=NN(CC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196136	0	36	-1.0	-53.53	322.17	3.89	-49.64
O=C(CC1=NN(CC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196136	1	36	-1.0	-53.51	322.24	3.90	-49.61
O=C(C1=C2C(Br)=CC=CN2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196137	0	33	-1.0	-48.23	297.97	4.10	-44.13
O=C(C1=C2C(Br)=CC=CN2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196137	1	33	-1.0	-48.23	297.89	4.08	-44.15
CN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=CC(Br)=CN=C21	REAL300020196138	0	36	-1.0	-42.14	317.61	5.03	-37.11
CN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=CC(Br)=CN=C21	REAL300020196138	1	36	-1.0	-42.14	317.53	5.01	-37.13
NC1=C(Br)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020196139	0	34	-1.0	-42.82	307.79	2.98	-39.84
NC1=C(Br)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020196139	1	34	-1.0	-42.82	307.86	2.99	-39.83
CC(C)CN1[N-]C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020196140	0	42	-2.0	-96.28	349.20	3.03	-93.25
CC(C)CN1[N-]C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020196140	1	42	-2.0	-96.27	349.28	3.05	-93.22
CC(C)CN1NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020196140	1	43	-1.0	-54.45	355.70	3.49	-50.96
CN1C=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020196141	0	33	-1.0	-46.81	305.26	3.25	-43.56
CN1C=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020196141	1	33	-1.0	-46.82	305.33	3.25	-43.57
CC1=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)C=CO1	REAL300020196142	0	36	-1.0	-54.88	312.07	4.01	-50.87
CC1=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)C=CO1	REAL300020196142	1	36	-1.0	-54.90	312.14	4.02	-50.88
CC(C)C1=NC=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020196143	0	37	-1.0	-39.37	324.59	4.29	-35.08
CC(C)C1=NC=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020196143	1	37	-1.0	-39.36	324.67	4.29	-35.07
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020196144	0	38	-1.0	-46.63	328.01	6.02	-40.61
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020196144	1	38	-1.0	-46.62	328.08	6.04	-40.58
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020196145	0	38	-1.0	-48.60	338.55	6.51	-42.09
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020196145	1	38	-1.0	-48.54	338.62	6.51	-42.03
O=C(C1=NC(C2CC2)=NC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020196146	0	35	-1.0	-39.62	313.59	4.78	-34.84
O=C(C1=NC(C2CC2)=NC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020196146	1	35	-1.0	-39.64	313.67	4.79	-34.85
O=C(CN1N=C(C(F)F)C=C1C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196147	0	36	-1.0	-53.74	326.31	3.55	-50.19
O=C(CN1N=C(C(F)F)C=C1C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196147	1	36	-1.0	-53.71	326.38	3.56	-50.15
CC(C)(C)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020196148	0	44	-1.0	-41.82	333.10	4.50	-37.32
CC(C)(C)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020196148	1	44	-1.0	-41.82	333.18	4.51	-37.31
O=C([C@H]1CC[C@@H](NC2=CC=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196149	0	47	-1.0	-48.89	364.79	5.40	-43.49
O=C([C@H]1CC[C@@H](NC2=CC=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196149	1	47	-1.0	-48.92	364.86	5.40	-43.52
O=C(C1=CC=C(C(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196150	0	30	-1.0	-38.58	278.49	3.29	-35.29
O=C(C1=CC=C(C(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196150	1	30	-1.0	-38.61	278.56	3.30	-35.31
CN(CCCC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=NC=C1	REAL300020196151	0	45	-1.0	-54.23	368.05	3.99	-50.24
CN(CCCC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=NC=C1	REAL300020196151	1	45	-1.0	-54.23	367.97	3.98	-50.25
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196152	0	43	-1.0	-44.71	345.18	7.69	-37.02
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196152	1	43	-1.0	-44.70	345.25	7.70	-37.00
CCC1=NOC(COCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020196153	0	38	-1.0	-52.94	328.26	1.38	-51.56
CCC1=NOC(COCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020196153	1	38	-1.0	-52.93	328.33	1.40	-51.53
O=C(CC1CCC(C(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196154	0	37	-1.0	-50.61	316.25	3.95	-46.66
O=C(CC1CCC(C(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196154	1	37	-1.0	-50.58	316.32	3.97	-46.61
COC1=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(C)N=C2C=C1	REAL300020196155	0	42	-1.0	-43.12	343.00	3.95	-39.17
COC1=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(C)N=C2C=C1	REAL300020196155	1	42	-1.0	-43.13	343.08	3.96	-39.17
CC1=CC=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020196156	0	32	-1.0	-43.92	287.57	3.94	-39.98
CC1=CC=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020196156	1	32	-1.0	-43.89	287.64	3.95	-39.94
O=C(C1=CC=C(OC(F)F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196157	0	34	-1.0	-47.84	298.96	3.37	-44.47
O=C(C1=CC=C(OC(F)F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196157	1	34	-1.0	-47.82	299.03	3.37	-44.45
O=C(C1=CN=NN1C1=CC=CC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020196158	0	36	-1.0	-42.50	332.96	4.49	-38.01
O=C(C1=CN=NN1C1=CC=CC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020196158	1	36	-1.0	-42.52	332.89	4.48	-38.04
O=C(CN1CC2=C(C=NN2C2=CC=CC=C2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196159	0	45	-1.0	-55.01	384.45	5.63	-49.38
O=C(CN1CC2=C(C=NN2C2=CC=CC=C2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196159	1	45	-1.0	-55.03	384.52	5.65	-49.38
CC1=CC2=CC=C(C)C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020196160	0	42	-1.0	-45.17	345.15	7.23	-37.94
CC1=CC2=CC=C(C)C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020196160	1	42	-1.0	-45.19	345.23	7.24	-37.95
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC(F)(F)F)=C1	REAL300020196161	0	37	-1.0	-45.24	320.51	5.00	-40.24
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC(F)(F)F)=C1	REAL300020196161	1	37	-1.0	-45.24	320.58	5.01	-40.23
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196162	0	45	-1.0	-46.83	369.91	5.19	-41.64
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196162	1	45	-1.0	-46.84	369.84	5.18	-41.66
CC1=NN(C)C=C1C1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196163	0	41	-1.0	-56.41	342.24	3.84	-52.57
CC1=NN(C)C=C1C1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196163	1	41	-1.0	-56.44	342.31	3.84	-52.60
O=C(C1=CC=NC(C2=CC=CO2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196164	0	36	-1.0	-47.29	307.04	3.61	-43.68
O=C(C1=CC=NC(C2=CC=CO2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196164	1	36	-1.0	-47.25	306.97	3.60	-43.65
O=C(CN1N=C(C(F)(F)F)C2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196165	0	43	-1.0	-49.28	365.18	5.41	-43.87
O=C(CN1N=C(C(F)(F)F)C2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196165	1	43	-1.0	-49.25	365.25	5.42	-43.83
O=C(C1=CC=NC(C2=CC=CC=N2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196166	0	37	-1.0	-45.33	320.15	3.92	-41.41
O=C(C1=CC=NC(C2=CC=CC=N2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196166	1	37	-1.0	-45.30	320.22	3.93	-41.37
CN1C(=O)CCC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020196167	0	41	-1.0	-49.22	325.90	4.43	-44.79
CN1C(=O)CCC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020196167	1	41	-1.0	-49.23	325.97	4.45	-44.78
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020196168	0	32	-1.0	-42.35	284.56	2.90	-39.45
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1Br	REAL300020196168	1	32	-1.0	-42.39	284.49	2.89	-39.50
CC1=CC=C2CC(C)(C(=O)N3CCC(C4=N[N-]N=N4)C3)OC(=O)C2=C1	REAL300020196169	0	43	-1.0	-41.85	346.67	6.04	-35.81
CC1=CC=C2CC(C)(C(=O)N3CCC(C4=NN=N[N-]4)C3)OC(=O)C2=C1	REAL300020196169	1	43	-1.0	-41.89	346.74	6.05	-35.84
O=C(C1=CC(Br)=CN=C1C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196170	0	36	-1.0	-39.55	319.20	4.82	-34.73
O=C(C1=CC(Br)=CN=C1C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196170	1	36	-1.0	-39.57	319.27	4.84	-34.73
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(N2C=C(Br)C=N2)CC1	REAL300020196171	0	34	-1.0	-38.61	313.78	3.69	-34.92
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(N2C=C(Br)C=N2)CC1	REAL300020196171	1	34	-1.0	-38.60	313.71	3.67	-34.93
CC12CC3CC(Br)(C1)CC(C(=O)N1CCC(C4=N[N-]N=N4)C1)(C3)C2	REAL300020196172	0	47	-1.0	-41.99	350.83	6.47	-35.52
CC12CC3CC(Br)(C1)CC(C(=O)N1CCC(C4=NN=N[N-]4)C1)(C3)C2	REAL300020196172	1	47	-1.0	-42.01	350.90	6.47	-35.54
O=C(C1=CC(=O)NC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196173	0	40	-1.0	-46.32	325.70	3.11	-43.21
O=C(C1=CC(=O)NC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196173	1	40	-1.0	-46.34	325.77	3.11	-43.23
O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196174	0	47	-1.0	-48.57	362.34	1.46	-47.11
O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196174	1	47	-1.0	-48.60	362.42	1.48	-47.12
O=C(C1=CC=CC(NC2=NC=CS2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196175	0	38	-1.0	-44.15	325.09	3.97	-40.18
O=C(C1=CC=CC(NC2=NC=CS2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196175	1	38	-1.0	-44.16	325.02	3.95	-40.21
CCCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(=O)N1	REAL300020196176	0	39	-1.0	-46.28	329.61	2.94	-43.34
CCCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(=O)N1	REAL300020196176	1	39	-1.0	-46.27	329.68	2.95	-43.32
O=C(C1=CNC(=O)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196177	0	33	-1.0	-47.15	302.19	1.92	-45.23
O=C(C1=CNC(=O)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196177	1	33	-1.0	-47.18	302.27	1.93	-45.25
CCSC1=CNC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196178	0	37	-1.0	-53.87	326.08	2.68	-51.19
CCSC1=CNC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196178	1	37	-1.0	-53.89	326.15	2.68	-51.21
O=C(C1=C2NC(C(F)F)=NC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196179	0	36	-1.0	-45.75	315.41	3.43	-42.32
O=C(C1=C2NC(C(F)F)=NC2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196179	1	36	-1.0	-45.78	315.48	3.43	-42.35
O=C(C1=CC2=CC=CC=C2OC1C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196180	0	39	-1.0	-44.73	333.99	5.22	-39.51
O=C(C1=CC2=CC=CC=C2OC1C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196180	1	39	-1.0	-44.75	334.06	5.22	-39.53
O=C(CC1=CC=CC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196181	0	35	-1.0	-53.30	313.92	4.13	-49.17
O=C(CC1=CC=CC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196181	1	35	-1.0	-53.27	313.99	4.15	-49.12
CCOC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020196182	0	39	-1.0	-50.32	328.22	2.67	-47.65
CCOC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020196182	1	39	-1.0	-50.30	328.29	2.68	-47.62
O=C(C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196183	0	41	-1.0	-41.94	352.83	6.63	-35.31
O=C(C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196183	1	41	-1.0	-41.98	352.90	6.63	-35.35
O=C(C1=CC(=O)NC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020196184	0	30	-1.0	-46.77	285.05	1.38	-45.39
O=C(C1=CC(=O)NC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020196184	1	30	-1.0	-46.80	285.13	1.39	-45.41
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=NN1	REAL300020196185	0	30	-1.0	-44.04	283.09	1.47	-42.57
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=NN1	REAL300020196185	1	30	-1.0	-44.04	283.16	1.49	-42.55
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196186	0	38	-1.0	-54.63	326.57	0.40	-54.23
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196186	1	38	-1.0	-54.61	326.49	0.39	-54.22
CC1=CC(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1Cl	REAL300020196187	0	35	-1.0	-38.99	317.72	3.90	-35.09
CC1=CC(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1Cl	REAL300020196187	1	35	-1.0	-38.99	317.64	3.89	-35.10
CC(C)C1CCC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(=O)N2)C1	REAL300020196188	0	49	-1.0	-53.08	383.53	5.00	-48.08
CC(C)C1CCC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(=O)N2)C1	REAL300020196188	1	49	-1.0	-53.08	383.60	5.01	-48.07
CC1=NN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NC=CC=C12	REAL300020196189	0	38	-1.0	-53.14	326.28	4.11	-49.03
CC1=NN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020196189	1	38	-1.0	-53.18	326.35	4.12	-49.06
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196190	0	39	-1.0	-53.18	350.31	4.01	-49.17
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196190	1	39	-1.0	-53.21	350.39	4.02	-49.19
CCCOC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1C	REAL300020196191	0	46	-1.0	-40.55	365.18	6.34	-34.21
CCCOC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1C	REAL300020196191	1	46	-1.0	-40.56	365.26	6.36	-34.20
O=C(C1=CC=C(CN2CCCCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196192	0	45	-1.0	-41.74	356.06	3.83	-37.91
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196192	1	46	0.0	-69.81	358.46	6.07	-63.74
O=C(C1=CC=C(CN2CCCCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196192	1	45	-1.0	-41.77	356.14	3.84	-37.93
O=C(C1=CC=C(CN2C=CC(C(F)(F)F)=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196193	0	43	-1.0	-52.34	375.26	6.22	-46.12
O=C(C1=CC=C(CN2C=CC(C(F)(F)F)=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196193	1	43	-1.0	-52.34	375.19	6.20	-46.14
C[C@H](NC(=O)CN1C=NN=N1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196194	0	38	-1.0	-53.31	326.70	0.39	-52.92
C[C@H](NC(=O)CN1C=NN=N1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196194	1	38	-1.0	-53.33	326.63	0.39	-52.94
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196195	0	45	-1.0	-44.44	359.11	6.48	-37.96
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196195	1	45	-1.0	-44.39	359.18	6.48	-37.91
O=C(CC1C(=O)NC2=CC=C(Br)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020196196	0	38	-1.0	-50.52	339.01	5.12	-45.40
O=C(CC1C(=O)NC2=CC=C(Br)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020196196	1	38	-1.0	-50.49	339.08	5.12	-45.37
O=C(C1=CC=C(CC2CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196197	0	37	-1.0	-41.65	317.27	5.89	-35.76
O=C(C1=CC=C(CC2CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196197	1	37	-1.0	-41.64	317.34	5.90	-35.74
COC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020196198	0	41	-1.0	-47.88	339.74	3.37	-44.51
COC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020196198	1	41	-1.0	-47.89	339.81	3.39	-44.50
O=C(C1=CC=CC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196199	0	39	-1.0	-44.61	323.45	6.21	-38.40
O=C(C1=CC=CC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196199	1	39	-1.0	-44.61	323.37	6.21	-38.40
O=C(C1=CC2=C(Br)C=C(F)C=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196200	0	34	-1.0	-40.69	311.74	4.76	-35.93
O=C(C1=CC2=C(Br)C=C(F)C=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196200	1	34	-1.0	-40.74	311.82	4.78	-35.96
O=C(CCCCCCCCC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196201	0	51	-1.0	-42.89	402.82	8.81	-34.08
O=C(CCCCCCCCC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196201	1	51	-1.0	-42.88	402.89	8.82	-34.06
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020196202	0	36	-2.0	-84.99	312.46	3.10	-81.89
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020196202	1	36	-2.0	-84.99	312.54	3.11	-81.88
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020196203	0	30	-2.0	-96.67	282.94	3.25	-93.42
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020196203	1	30	-2.0	-96.64	283.02	3.25	-93.39
CN1N=CC2=C1C=C(C(=O)N1CCC(C3=N[N-]N=N3)C1)C(=O)N2	REAL300020196204	0	36	-1.0	-50.43	314.40	0.66	-49.77
CN1N=CC2=C1C=C(C(=O)N1CCC(C3=NN=N[N-]3)C1)C(=O)N2	REAL300020196204	1	36	-1.0	-50.40	314.47	0.66	-49.74
COC1=C2C=CSC2=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196205	0	37	-1.0	-45.55	319.50	4.41	-41.14
COC1=C2C=CSC2=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196205	1	37	-1.0	-45.58	319.59	4.42	-41.16
CC1CCN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C1	REAL300020196206	0	45	-1.0	-43.85	344.69	4.54	-39.31
CC1CCN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C1	REAL300020196206	1	45	-1.0	-43.85	344.76	4.54	-39.31
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC(F)=CC(F)=C1	REAL300020196207	0	36	-1.0	-43.60	308.29	5.31	-38.29
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC(F)=CC(F)=C1	REAL300020196207	1	36	-1.0	-43.58	308.36	5.32	-38.26
O=C(C1=CC=C2C(=C1)CCS2(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196208	0	37	-1.0	-51.32	314.41	1.43	-49.89
O=C(C1=CC=C2C(=C1)CCS2(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196208	1	37	-1.0	-51.28	314.48	1.44	-49.84
O=C(C1=CC2=CC=C(Cl)C=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196209	0	33	-1.0	-40.47	305.95	5.66	-34.81
O=C(C1=CC2=CC=C(Cl)C=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196209	1	33	-1.0	-40.45	306.03	5.66	-34.79
O=C(C1=NOC=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196210	0	36	-1.0	-44.42	309.93	5.20	-39.22
O=C(C1=NOC=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196210	1	36	-1.0	-44.42	309.86	5.19	-39.23
CC(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020196211	0	42	-1.0	-44.63	359.20	7.33	-37.30
CC(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020196211	1	42	-1.0	-44.65	359.27	7.34	-37.31
O=C(COCC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196212	0	40	-1.0	-47.98	353.94	6.19	-41.79
O=C(COCC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196212	1	40	-1.0	-47.98	354.02	6.20	-41.78
COC1=CC=CC(N2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020196213	0	41	-1.0	-48.05	344.09	4.67	-43.38
COC1=CC=CC(N2C=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020196213	1	41	-1.0	-48.04	344.01	4.66	-43.38
COC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC(F)=CC(F)=C1	REAL300020196214	0	37	-1.0	-43.65	316.95	4.63	-39.02
COC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC(F)=CC(F)=C1	REAL300020196214	1	37	-1.0	-43.65	317.02	4.65	-39.00
CC1=C(Br)SC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020196215	0	29	-1.0	-41.64	279.02	2.05	-39.59
CC1=C(Br)SC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020196215	1	29	-1.0	-41.66	279.10	2.07	-39.59
COC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=CC(Cl)=C1	REAL300020196216	0	38	-1.0	-42.59	330.60	3.92	-38.67
COC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=CC(Cl)=C1	REAL300020196216	1	38	-1.0	-42.60	330.68	3.93	-38.67
O=C(C1=CC=C(C2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196217	0	39	-1.0	-43.25	324.04	6.16	-37.09
O=C(C1=CC=C(C2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196217	1	39	-1.0	-43.24	323.96	6.16	-37.08
O=C(C1=CN(CC2CCCO2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196218	0	40	-1.0	-45.72	332.50	1.64	-44.08
O=C(C1=CN(CC2CCCO2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196218	1	40	-1.0	-45.73	332.43	1.63	-44.10
O=C(C1=NN2C=CC(C(F)(F)F)=NC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196219	0	34	-1.0	-47.50	314.48	5.67	-41.83
O=C(C1=NN2C=CC(C(F)(F)F)=NC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196219	1	34	-1.0	-47.50	314.41	5.67	-41.83
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=N1	REAL300020196220	0	37	-1.0	-45.04	312.39	0.03	-45.01
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=N1	REAL300020196220	1	37	-1.0	-45.01	312.31	0.02	-44.99
CC(C)(C)OC(=O)NC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL300020196221	0	57	-1.0	-51.00	429.73	3.31	-47.69
CC(C)(C)OC(=O)NC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL300020196221	1	57	-1.0	-51.02	429.81	3.32	-47.70
NC(=O)C1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196222	0	37	-1.0	-52.39	315.28	1.53	-50.86
NC(=O)C1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196222	1	37	-1.0	-52.39	315.35	1.55	-50.84
CCC(=O)NC1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196223	0	39	-1.0	-46.84	320.36	1.55	-45.29
CCC(=O)NC1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196223	1	39	-1.0	-46.83	320.29	1.55	-45.28
CCC[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020196224	0	52	-1.0	-49.50	401.91	4.10	-45.40
CCC[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196224	1	52	-1.0	-49.49	401.98	4.11	-45.38
CC(C)(C)OC(=O)NC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020196225	0	59	-1.0	-49.50	438.54	5.71	-43.79
CC(C)(C)OC(=O)NC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020196225	1	59	-1.0	-49.56	438.62	5.71	-43.85
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196226	0	50	-1.0	-44.84	387.53	4.94	-39.90
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196226	1	50	-1.0	-44.87	387.60	4.94	-39.93
CCC[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020196227	0	52	-1.0	-49.71	401.91	4.10	-45.61
CCC[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196227	1	52	-1.0	-49.77	401.99	4.11	-45.66
CC(C)(C)OC(=O)NC1CC2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC21	REAL300020196228	0	54	-1.0	-50.12	408.10	5.01	-45.11
CC(C)(C)OC(=O)NC1CC2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC21	REAL300020196228	1	54	-1.0	-50.14	408.17	5.02	-45.12
NC1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020196229	0	32	-1.0	-44.66	289.35	2.23	-42.43
NC1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020196229	1	32	-1.0	-44.65	289.42	2.24	-42.41
CCC(C)C(C)NC1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020196230	0	49	-1.0	-48.43	397.84	5.44	-42.99
CCC(C)C(C)NC1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020196230	1	49	-1.0	-48.47	397.91	5.44	-43.03
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196231	0	40	-1.0	-47.95	340.60	2.49	-45.46
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196231	1	40	-1.0	-47.98	340.68	2.50	-45.48
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196232	0	53	-1.0	-47.96	396.37	5.99	-41.97
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196232	1	53	-1.0	-47.90	396.45	6.00	-41.90
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H]2C[C@H]21	REAL300020196233	0	51	-1.0	-44.37	395.19	3.98	-40.39
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H]2C[C@H]21	REAL300020196233	1	51	-1.0	-44.37	395.27	3.99	-40.38
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2CCC1CC2	REAL300020196234	0	57	-1.0	-48.24	409.77	5.60	-42.64
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2CCC1CC2	REAL300020196234	1	57	-1.0	-48.25	409.85	5.60	-42.65
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020196235	0	53	-1.0	-48.77	387.20	5.84	-42.93
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020196235	1	53	-1.0	-48.79	387.27	5.85	-42.94
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1F	REAL300020196236	0	50	-1.0	-42.36	402.68	4.93	-37.43
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1F	REAL300020196236	1	50	-1.0	-42.34	402.76	4.94	-37.40
CC(C)(C)OC(=O)N1CCC2CCC21C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196237	0	51	-1.0	-52.31	378.92	5.79	-46.52
CC(C)(C)OC(=O)N1CCC2CCC21C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196237	1	51	-1.0	-52.26	378.99	5.79	-46.47
CCOC(=O)C1CC12CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020196238	0	43	-1.0	-43.54	353.07	5.94	-37.60
CCOC(=O)C1CC12CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020196238	1	43	-1.0	-43.54	353.15	5.95	-37.59
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(NC(=O)OC(C)(C)C)=N1	REAL300020196239	0	47	-1.0	-50.98	375.87	3.03	-47.95
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(NC(=O)OC(C)(C)C)=N1	REAL300020196239	1	47	-1.0	-50.99	375.94	3.03	-47.96
COCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCN(C(=O)OC(C)(C)C)C1	REAL300020196240	0	57	-1.0	-56.94	420.67	4.36	-52.58
COCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCN(C(=O)OC(C)(C)C)C1	REAL300020196240	1	57	-1.0	-56.93	420.74	4.38	-52.55
CC(C)(C)OC(=O)N1CC2CCC1(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020196241	0	51	-1.0	-51.85	379.28	5.55	-46.30
CC(C)(C)OC(=O)N1CC2CCC1(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020196241	1	51	-1.0	-51.82	379.35	5.56	-46.26
COC(=O)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)N1	REAL300020196242	0	40	-1.0	-45.40	343.82	3.85	-41.55
COC(=O)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)N1	REAL300020196242	1	40	-1.0	-45.40	343.90	3.86	-41.54
O=C(OCC1=CC=CC=C1)N1C(=O)CCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196243	0	47	-1.0	-54.61	396.76	6.80	-47.81
O=C(OCC1=CC=CC=C1)N1C(=O)CCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196243	1	47	-1.0	-54.65	396.83	6.82	-47.83
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300020196244	0	32	-1.0	-38.79	298.84	3.31	-35.48
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300020196244	1	32	-1.0	-38.78	298.76	3.29	-35.49
CC#CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196245	0	48	-1.0	-42.08	383.12	3.39	-38.69
CC#CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196245	1	48	-1.0	-42.10	383.19	3.41	-38.69
CC(C)(C)OC(=O)N1CC(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196246	0	53	-1.0	-50.06	419.06	5.61	-44.45
CC(C)(C)OC(=O)N1CC(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196246	1	53	-1.0	-50.11	419.14	5.62	-44.49
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(CNC(=O)OC(C)(C)C)N1C	REAL300020196247	0	54	-1.0	-46.92	421.76	4.01	-42.91
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(CNC(=O)OC(C)(C)C)N1C	REAL300020196247	1	54	-1.0	-46.88	421.83	4.02	-42.86
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020196248	0	48	-1.0	-51.26	367.14	4.75	-46.51
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020196248	1	48	-1.0	-51.30	367.21	4.77	-46.53
CC(C)(C)OC(=O)NCCCC(NC(N)=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196249	0	55	-1.0	-59.11	430.47	-0.34	-59.45
CC(C)(C)OC(=O)NCCCC(NC(N)=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196249	1	55	-1.0	-59.16	430.54	-0.32	-59.48
CCOC1(OCC)CC(C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196250	0	47	-1.0	-42.31	362.15	4.11	-38.20
CCOC1(OCC)CC(C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196250	1	47	-1.0	-42.36	362.22	4.12	-38.24
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(Cl)=C1Cl	REAL300020196251	0	31	-1.0	-40.92	305.07	4.19	-36.73
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(Cl)=C1Cl	REAL300020196251	1	31	-1.0	-40.96	305.13	4.19	-36.77
COCC1CCN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C1	REAL300020196252	0	49	-1.0	-43.49	381.34	3.73	-39.76
COCC1CCN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C1	REAL300020196252	1	49	-1.0	-43.46	381.41	3.74	-39.72
CC(C)(C)OC(=O)N1CC2=NC=NC=C2C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196253	0	49	-1.0	-49.88	393.27	4.29	-45.59
CC(C)(C)OC(=O)N1CC2=NC=NC=C2C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196253	1	49	-1.0	-49.91	393.34	4.30	-45.61
CC(C)(C)OC(=O)N1CCCC2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2C1	REAL300020196254	0	54	-1.0	-52.83	407.34	6.10	-46.73
CC(C)(C)OC(=O)N1CCCC2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2C1	REAL300020196254	1	54	-1.0	-52.88	407.41	6.12	-46.76
CC(C)(C)OC(=O)NC1CCC2(CC2C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020196255	0	57	-1.0	-46.04	434.97	5.46	-40.58
CC(C)(C)OC(=O)NC1CCC2(CC2C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020196255	1	57	-1.0	-45.99	435.05	5.46	-40.53
CC(C)C[C@H](NC(=O)CCCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196256	0	58	-1.0	-42.82	449.85	7.61	-35.21
CC(C)C[C@H](NC(=O)CCCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196256	1	58	-1.0	-42.85	449.93	7.62	-35.23
O=C(CC(C(F)F)N1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196257	0	36	-1.0	-41.67	306.89	3.34	-38.33
O=C(CC(C(F)F)N1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196257	1	36	-1.0	-41.65	306.82	3.33	-38.32
NC1=NC2=C(N=CN2CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020196258	0	37	-1.0	-60.25	323.06	2.93	-57.32
NC1=NC2=C(N=CN2CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020196258	1	37	-1.0	-60.20	323.14	2.94	-57.26
CC(C)[C@H](NC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196259	0	44	-1.0	-41.06	341.01	5.04	-36.02
CC(C)[C@H](NC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196259	1	44	-1.0	-41.03	341.08	5.05	-35.98
O=C(C1=CC(NCC2=CC=CC=C2)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196260	0	44	-1.0	-44.21	366.29	5.35	-38.86
O=C(C1=CC(NCC2=CC=CC=C2)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196260	1	44	-1.0	-44.28	366.36	5.37	-38.91
C=CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196261	0	50	-1.0	-37.01	392.24	3.42	-33.59
C=CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196261	1	50	-1.0	-36.99	392.31	3.43	-33.56
CC(C)(C)OC(=O)NC(CC1=NC=CS1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196262	0	49	-1.0	-42.55	396.92	2.11	-40.44
CC(C)(C)OC(=O)NC(CC1=NC=CS1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196262	1	49	-1.0	-42.57	396.99	2.12	-40.45
CCCC[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020196263	0	55	-1.0	-49.42	423.41	4.89	-44.53
CCCC[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196263	1	55	-1.0	-49.46	423.48	4.89	-44.57
COC(=O)CC[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020196264	0	55	-1.0	-49.61	435.88	4.14	-45.47
COC(=O)CC[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196264	1	55	-1.0	-49.62	435.95	4.14	-45.48
CC(C)C1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196265	0	39	-1.0	-41.65	327.72	6.08	-35.57
CC(C)C1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196265	1	39	-1.0	-41.67	327.79	6.09	-35.58
CCC(C)(COCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196266	0	49	-1.0	-42.03	377.79	6.15	-35.88
CCC(C)(COCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196266	1	49	-1.0	-42.07	377.86	6.16	-35.91
O=C(C1=CSC(C2=C(Cl)C=CC=C2Cl)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196267	0	36	-1.0	-44.68	333.16	5.95	-38.73
O=C(C1=CSC(C2=C(Cl)C=CC=C2Cl)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196267	1	36	-1.0	-44.70	333.09	5.93	-38.77
CC1CN2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C(=O)N1	REAL300020196268	0	38	-1.0	-50.63	317.50	0.31	-50.32
CC1CN2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C(=O)N1	REAL300020196268	1	38	-1.0	-50.61	317.43	0.30	-50.31
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020196269	0	47	-1.0	-43.89	390.69	3.34	-40.55
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020196269	1	47	-1.0	-43.89	390.77	3.34	-40.55
CCCC[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020196270	0	55	-1.0	-49.70	423.41	4.89	-44.81
CCCC[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196270	1	55	-1.0	-49.74	423.49	4.89	-44.85
CC(C)(C)OC(=O)N1CCC(C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020196271	0	54	-1.0	-42.47	417.10	5.56	-36.91
CC(C)(C)OC(=O)N1CCC(C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020196271	1	54	-1.0	-42.51	417.18	5.56	-36.95
O=C(C(CCC1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196272	0	49	-1.0	-43.84	394.18	9.40	-34.44
O=C(C(CCC1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196272	1	49	-1.0	-43.83	394.25	9.41	-34.42
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300020196273	0	48	0.0	-65.90	365.92	5.51	-60.39
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300020196273	1	48	0.0	-62.57	364.15	5.49	-57.08
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300020196273	1	48	0.0	-65.90	365.99	5.51	-60.39
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300020196273	1	48	0.0	-62.61	364.23	5.50	-57.11
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2CCC(C1)S2	REAL300020196274	0	41	-1.0	-46.75	288.87	4.92	-41.83
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2CCC(C1)S2	REAL300020196274	1	41	-1.0	-46.77	288.95	4.92	-41.85
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2CCC(C1)S2(=O)=O	REAL300020196275	0	43	-1.0	-50.85	305.20	1.33	-49.52
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2CCC(C1)S2(=O)=O	REAL300020196275	1	43	-1.0	-50.87	305.27	1.35	-49.52
O=C([C@@H]1CCO[C@H]1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196276	0	34	-1.0	-41.75	288.83	2.07	-39.68
O=C([C@@H]1CCO[C@H]1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196276	1	34	-1.0	-41.76	288.90	2.08	-39.68
COC1=C(F)C=CC(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196277	0	34	-1.0	-42.95	318.72	3.96	-38.99
COC1=C(F)C=CC(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196277	1	34	-1.0	-42.95	318.80	3.97	-38.98
O=C(C1=CC=C2C(=C1)C=CS2(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196278	0	35	-1.0	-48.05	305.96	1.18	-46.87
O=C(C1=CC=C2C(=C1)C=CS2(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196278	1	35	-1.0	-48.08	306.03	1.19	-46.89
O=C(C1=NC(Br)=C2CCCCN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020196279	0	37	-1.0	-41.35	318.67	4.96	-36.39
O=C(C1=NC(Br)=C2CCCCN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020196279	1	37	-1.0	-41.32	318.60	4.94	-36.38
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1Cl	REAL300020196280	0	36	-1.0	-43.64	319.24	3.94	-39.70
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1Cl	REAL300020196280	1	36	-1.0	-43.68	319.31	3.94	-39.74
O=C(CC(C(F)F)N1C=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196281	0	36	-1.0	-45.89	308.32	4.91	-40.98
O=C(CC(C(F)F)N1C=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196281	1	36	-1.0	-45.88	308.39	4.91	-40.97
O=C(C1=CC=C2N=C(C3CCCO3)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196282	0	43	-1.0	-44.92	350.52	1.47	-43.45
O=C(C1=CC=C2N=C(C3CCCO3)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196282	1	43	-1.0	-44.92	350.59	1.47	-43.45
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CS2)=NO1	REAL300020196283	0	36	-1.0	-42.09	329.06	4.98	-37.11
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CS2)=NO1	REAL300020196283	1	36	-1.0	-42.07	328.99	4.98	-37.09
O=C(C(O)CC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196284	0	37	-1.0	-43.12	340.56	4.27	-38.85
O=C(C(O)CC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196284	1	37	-1.0	-43.06	340.63	4.28	-38.78
O=C(C(O)C1=CC=CC2=C1OCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196285	0	39	-1.0	-42.60	313.08	2.50	-40.10
O=C(C(O)C1=CC=CC2=C1OCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196285	1	39	-1.0	-42.63	313.15	2.51	-40.12
O=C(C1=CC=C(F)C2=CC=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020196286	0	35	-1.0	-48.54	300.33	4.37	-44.17
O=C(C1=CC=C(F)C2=CC=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020196286	1	35	-1.0	-48.54	300.26	4.36	-44.18
O=C(C1=NN(CC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196287	0	33	-1.0	-48.44	298.01	3.35	-45.09
O=C(C1=NN(CC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196287	1	33	-1.0	-48.45	297.93	3.35	-45.10
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196288	0	41	-1.0	-45.30	347.22	5.67	-39.63
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196288	1	41	-1.0	-45.34	347.29	5.67	-39.67
O=C(CC1=CC=CN=C1)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196289	0	46	-1.0	-51.97	381.15	4.48	-47.49
O=C(CC1=CC=CN=C1)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196289	1	46	-1.0	-52.00	381.07	4.46	-47.54
O=C(C1=NN2C=CC=C(Br)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196290	0	33	-1.0	-46.39	305.38	4.48	-41.91
O=C(C1=NN2C=CC=C(Br)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196290	1	33	-1.0	-46.38	305.30	4.46	-41.92
O=C(C1=NC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020196291	0	29	-1.0	-40.57	279.01	3.77	-36.80
O=C(C1=NC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020196291	1	29	-1.0	-40.54	278.94	3.76	-36.78
O=C(C1COC2=CC(Cl)=CC=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196292	0	38	-1.0	-40.93	327.88	4.98	-35.95
O=C(C1COC2=CC(Cl)=CC=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196292	1	38	-1.0	-40.97	327.96	4.99	-35.98
O=C(C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196293	0	37	-1.0	-44.64	333.48	5.54	-39.10
O=C(C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196293	1	37	-1.0	-44.63	333.40	5.54	-39.09
O=C(CN1C=C(I)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196294	0	29	-1.0	-52.98	283.15	1.79	-51.19
O=C(CN1C=C(I)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196294	1	29	-1.0	-52.95	283.07	1.77	-51.18
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196295	0	37	-1.0	-46.47	334.80	6.73	-39.74
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196295	1	37	-1.0	-46.49	334.88	6.74	-39.75
O=C(C1=CN=C(C2=CC=C(Cl)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196296	0	36	-1.0	-41.54	333.88	5.19	-36.35
O=C(C1=CN=C(C2=CC=C(Cl)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196296	1	36	-1.0	-41.49	333.81	5.18	-36.31
O=C(C1=CC=C(C(F)(F)F)C(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020196297	0	33	-1.0	-41.66	318.65	5.57	-36.09
O=C(C1=CC=C(C(F)(F)F)C(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020196297	1	33	-1.0	-41.64	318.72	5.58	-36.06
CN1C=C(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)C=N1	REAL300020196298	0	38	-1.0	-52.17	325.57	3.17	-49.00
CN1C=C(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)C=N1	REAL300020196298	1	38	-1.0	-52.22	325.49	3.15	-49.07
COC1=CC=C(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020196299	0	36	-1.0	-39.54	314.15	1.36	-38.18
COC1=CC=C(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020196299	1	36	-1.0	-39.56	314.08	1.35	-38.21
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CSC=N1	REAL300020196300	0	29	-1.0	-43.11	271.00	2.32	-40.79
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CSC=N1	REAL300020196300	1	29	-1.0	-43.09	270.92	2.30	-40.79
CC(C)(C)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020196301	0	41	-1.0	-43.03	325.41	5.16	-37.87
CC(C)(C)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020196301	1	41	-1.0	-43.01	325.33	5.15	-37.86
COC1=CC=CC=C1C1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020196302	0	40	-1.0	-45.79	344.39	4.39	-41.40
COC1=CC=CC=C1C1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020196302	1	40	-1.0	-45.82	344.32	4.38	-41.44
O=C(N1CCC(C2=N[N-]N=N2)C1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300020196303	0	37	-1.0	-43.59	301.29	4.98	-38.61
O=C(N1CCC(C2=NN=N[N-]2)C1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300020196303	1	37	-1.0	-43.61	301.37	4.99	-38.62
O=C(C1=C2N(CCNS2(=O)=O)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196304	0	36	-1.0	-57.62	307.58	-2.85	-60.47
O=C(C1=C2N(CCNS2(=O)=O)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196304	1	36	-1.0	-57.61	307.50	-2.86	-60.47
CC1=NC2=C(CCCC2CC(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020196305	0	42	-1.0	-50.89	334.74	3.60	-47.29
CC1=NC2=C(CCCC2CC(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020196305	1	42	-1.0	-50.90	334.82	3.60	-47.30
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196306	0	41	-1.0	-47.60	344.16	2.56	-45.04
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196306	1	41	-1.0	-47.57	344.23	2.57	-45.00
CCCCCC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196307	0	48	-1.0	-43.96	388.12	8.54	-35.42
CCCCCC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196307	1	48	-1.0	-43.99	388.19	8.55	-35.44
O=C(C1COC2=C(F)C=C(F)C=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196308	0	38	-1.0	-41.52	323.71	4.60	-36.92
O=C(C1COC2=C(F)C=C(F)C=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196308	1	38	-1.0	-41.54	323.79	4.61	-36.93
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196309	0	45	-1.0	-49.47	365.21	5.92	-43.55
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196309	1	45	-1.0	-49.50	365.29	5.92	-43.58
CCCCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020196310	0	38	-1.0	-41.66	324.02	3.93	-37.73
CCCCC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020196310	1	38	-1.0	-41.65	324.09	3.94	-37.71
CC(C)(C)OCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020196311	0	42	-1.0	-42.45	349.23	2.78	-39.67
CC(C)(C)OCC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020196311	1	42	-1.0	-42.41	349.30	2.78	-39.63
CC1=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=CC=C1[N+](=O)[O-]	REAL300020196312	0	39	-1.0	-41.93	330.37	5.38	-36.55
CC1=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=CC=C1[N+](=O)[O-]	REAL300020196312	1	39	-1.0	-41.93	330.44	5.38	-36.55
COC1=CC(F)=CC(N2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020196313	0	41	-1.0	-44.70	350.44	4.73	-39.97
COC1=CC(F)=CC(N2C=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020196313	1	41	-1.0	-44.70	350.36	4.72	-39.98
O=C(C(CCC1=CC=CC=C1)CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196314	0	52	-1.0	-46.17	417.19	10.33	-35.84
O=C(C(CCC1=CC=CC=C1)CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196314	1	52	-1.0	-46.19	417.26	10.33	-35.86
O=C(C(O)C1=CC=CC=C1I)N1CCC(C2=N[N-]N=N2)C1	REAL300020196315	0	34	-1.0	-42.36	301.04	3.13	-39.23
O=C(C(O)C1=CC=CC=C1I)N1CCC(C2=NN=N[N-]2)C1	REAL300020196315	1	34	-1.0	-42.33	301.12	3.14	-39.19
CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020196316	0	36	-1.0	-48.62	304.42	5.12	-43.50
CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020196316	1	36	-1.0	-48.66	304.49	5.13	-43.53
O=C(N1CCC(C2=N[N-]N=N2)C1)[C@]12CCO[C@@H]1CCCCC2	REAL300020196317	0	44	-1.0	-43.90	298.86	3.23	-40.67
O=C(N1CCC(C2=NN=N[N-]2)C1)[C@]12CCO[C@@H]1CCCCC2	REAL300020196317	1	44	-1.0	-43.96	298.93	3.23	-40.73
CN(C)C1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=CC=C1	REAL300020196318	0	41	-1.0	-43.78	343.55	4.64	-39.14
CN(C)C1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=CC=C1	REAL300020196318	1	41	-1.0	-43.81	343.62	4.64	-39.17
O=C(C1C2CC1(C1=CC=NC=C1)CC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196319	0	43	-1.0	-45.46	336.37	5.70	-39.76
O=C(C1C2CC1(C1=CC=NC=C1)CC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196319	1	43	-1.0	-45.46	336.29	5.69	-39.77
O=C([C@@H]1C[C@H]1C1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196320	0	37	-1.0	-47.02	319.91	6.17	-40.85
O=C([C@@H]1C[C@H]1C1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196320	1	37	-1.0	-47.01	319.99	6.18	-40.83
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=N1	REAL300020196321	0	33	-1.0	-43.50	295.80	0.87	-42.63
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=N1	REAL300020196321	1	33	-1.0	-43.51	295.72	0.87	-42.64
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(C)(C)C1	REAL300020196322	0	53	-1.0	-50.14	400.28	3.88	-46.26
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(C)(C)C1	REAL300020196322	1	53	-1.0	-50.13	400.36	3.88	-46.25
CCC1=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CNC2=N1	REAL300020196323	0	38	-1.0	-61.08	323.56	3.59	-57.49
CCC1=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CNC2=N1	REAL300020196323	1	38	-1.0	-61.05	323.63	3.59	-57.46
O=C(C1=C2N=C(CC3CC3)N=C2NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196324	0	42	-1.0	-57.66	354.47	5.18	-52.48
O=C(C1=C2N=C(CC3CC3)N=C2NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196324	1	42	-1.0	-57.67	354.54	5.20	-52.47
O=C(C(O)C1CCCCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196325	0	46	-1.0	-41.79	325.23	3.56	-38.23
O=C(C(O)C1CCCCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196325	1	46	-1.0	-41.80	325.30	3.57	-38.23
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Cl)O1	REAL300020196326	0	32	-1.0	-46.33	304.65	-2.71	-49.04
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Cl)O1	REAL300020196326	1	32	-1.0	-46.35	304.72	-2.70	-49.05
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C2CCCCC2=N1	REAL300020196327	0	42	-1.0	-42.33	330.44	4.94	-37.39
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C2CCCCC2=N1	REAL300020196327	1	42	-1.0	-42.31	330.51	4.95	-37.36
CC[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020196328	0	49	-1.0	-49.62	380.41	3.35	-46.27
CC[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196328	1	49	-1.0	-49.65	380.49	3.36	-46.29
CC[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020196329	0	49	-1.0	-49.84	380.42	3.35	-46.49
CC[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196329	1	49	-1.0	-49.86	380.49	3.36	-46.50
O=C(C1CCN(CC2=CC=CC=C2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196330	0	44	-1.0	-45.97	363.52	5.54	-40.43
O=C(C1CCN(CC2=CC=CC=C2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196330	1	44	-1.0	-46.03	363.59	5.55	-40.48
O=C(C1=NN(C2=CC(F)=CC=C2F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196331	0	37	-1.0	-44.31	324.26	5.41	-38.90
O=C(C1=NN(C2=CC(F)=CC=C2F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196331	1	37	-1.0	-44.27	324.19	5.40	-38.87
CC(C)(C)OC(=O)N1CC(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NN2)C1	REAL300020196332	0	51	-1.0	-48.02	411.78	3.58	-44.44
CC(C)(C)OC(=O)N1CC(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NN2)C1	REAL300020196332	1	51	-1.0	-47.97	411.85	3.59	-44.38
O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196333	0	34	-1.0	-50.77	294.88	-3.44	-54.21
O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196333	1	34	-1.0	-50.75	294.95	-3.44	-54.19
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C21	REAL300020196334	0	48	-1.0	-54.95	381.48	5.08	-49.87
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C21	REAL300020196334	1	48	-1.0	-54.97	381.41	5.07	-49.90
CC(C)(C)OC(=O)NC1=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=NN2C=C1	REAL300020196335	0	50	-1.0	-48.50	402.17	3.73	-44.77
CC(C)(C)OC(=O)NC1=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=NN2C=C1	REAL300020196335	1	50	-1.0	-48.52	402.25	3.74	-44.78
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020196336	0	44	-1.0	-44.78	353.98	3.34	-41.44
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020196336	1	44	-1.0	-44.76	353.90	3.33	-41.43
O=C(C1CCC(O)(C2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196337	0	44	-1.0	-44.92	345.18	3.78	-41.14
O=C(C1CCC(O)(C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196337	1	44	-1.0	-44.89	345.26	3.79	-41.10
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020196338	0	48	-1.0	-44.60	387.65	2.39	-42.21
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020196338	1	48	-1.0	-44.63	387.58	2.38	-42.25
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020196339	0	41	-1.0	-44.94	332.45	2.47	-42.47
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020196339	1	41	-1.0	-44.94	332.37	2.47	-42.47
CC1=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C	REAL300020196340	0	44	-1.0	-44.05	348.86	2.89	-41.16
CC1=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C	REAL300020196340	1	44	-1.0	-44.09	348.94	2.90	-41.19
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196341	0	50	-1.0	-45.87	391.03	4.84	-41.03
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196341	1	50	-1.0	-45.88	391.10	4.86	-41.02
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196342	0	44	-1.0	-39.07	344.94	3.31	-35.76
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196342	1	44	-1.0	-39.04	345.01	3.33	-35.71
O=C(C1=CC=C2N=C(C3CCCCC3)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196343	0	48	-1.0	-42.12	377.37	4.47	-37.65
O=C(C1=CC=C2N=C(C3CCCCC3)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196343	1	48	-1.0	-42.15	377.45	4.49	-37.66
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=CC=C(F)C=C1	REAL300020196344	0	40	-1.0	-45.17	338.19	5.27	-39.90
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=CC=C(F)C=C1	REAL300020196344	1	40	-1.0	-45.14	338.12	5.26	-39.88
O=C(C1CC(=O)N(CC2=CC=CC=C2F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196345	0	44	-1.0	-47.34	360.39	5.47	-41.87
O=C(C1CC(=O)N(CC2=CC=CC=C2F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196345	1	44	-1.0	-47.34	360.47	5.47	-41.87
O=C(C1CC12C(=O)NC1=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020196346	0	39	-1.0	-54.03	325.61	5.24	-48.79
O=C(C1CC12C(=O)NC1=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020196346	1	39	-1.0	-54.05	325.68	5.25	-48.80
COC1=CC=C(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020196347	0	40	-1.0	-43.19	339.77	3.21	-39.98
COC1=CC=C(N2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020196347	1	40	-1.0	-43.22	339.70	3.19	-40.03
O=C([C@@H]1CCCO[C@H]1C1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020196348	0	44	-1.0	-43.23	367.27	6.39	-36.84
O=C([C@@H]1CCCO[C@H]1C1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020196348	1	44	-1.0	-43.26	367.34	6.40	-36.86
CC(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C(C)C)O1	REAL300020196349	0	45	-1.0	-42.29	357.02	6.13	-36.16
CC(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C(C)C)O1	REAL300020196349	1	45	-1.0	-42.29	357.10	6.14	-36.15
COC1=CC=C(C=C(C#N)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020196350	0	43	-1.0	-42.42	359.81	4.12	-38.30
COC1=CC=C(C=C(C#N)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020196350	1	43	-1.0	-42.43	359.89	4.14	-38.29
O=C(CN1N=NN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196351	0	38	-1.0	-51.09	324.29	3.63	-47.46
O=C(CN1N=NN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196351	1	38	-1.0	-51.08	324.37	3.63	-47.45
O=C(C1=CN=C(C2=CC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196352	0	37	-1.0	-46.44	315.11	2.99	-43.45
O=C(C1=CN=C(C2=CC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196352	1	37	-1.0	-46.45	315.19	3.00	-43.45
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196353	0	41	-1.0	-47.61	354.17	6.40	-41.21
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196353	1	41	-1.0	-47.64	354.24	6.40	-41.24
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)O2)N1	REAL300020196354	0	37	-1.0	-41.62	325.40	2.75	-38.87
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)O2)N1	REAL300020196354	1	37	-1.0	-41.67	325.47	2.77	-38.90
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)O2)[N-]1	REAL300020196354	1	36	-2.0	-80.22	321.94	2.33	-77.89
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)O2)[N-]1	REAL300020196354	1	36	-2.0	-80.24	322.01	2.33	-77.91
COC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020196355	0	40	-1.0	-45.78	327.01	4.56	-41.22
COC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020196355	1	40	-1.0	-45.81	327.09	4.57	-41.24
O=C(C1CC1C1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196356	0	39	-1.0	-45.17	328.25	6.66	-38.51
O=C(C1CC1C1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196356	1	39	-1.0	-45.19	328.32	6.68	-38.51
O=C(C1=CC=C(F)C(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196357	0	33	-1.0	-44.20	286.69	4.45	-39.75
O=C(C1=CC=C(F)C(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196357	1	33	-1.0	-44.21	286.76	4.45	-39.76
CS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196358	0	42	-1.0	-50.24	362.83	3.09	-47.15
CS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196358	1	42	-1.0	-50.23	362.90	3.11	-47.12
CC(C)CC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020196359	0	38	-1.0	-41.62	319.30	3.63	-37.99
CC(C)CC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020196359	1	38	-1.0	-41.64	319.37	3.63	-38.01
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196360	0	45	-1.0	-48.55	351.14	5.73	-42.82
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196360	1	45	-1.0	-48.51	351.22	5.74	-42.77
O=C(C1=CN=C2CCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196361	0	38	-1.0	-44.07	310.10	3.38	-40.69
O=C(C1=CN=C2CCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196361	1	38	-1.0	-44.09	310.17	3.38	-40.71
CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1S(N)(=O)=O	REAL300020196362	0	35	-1.0	-49.71	298.27	-2.37	-52.08
CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1S(N)(=O)=O	REAL300020196362	1	35	-1.0	-49.74	298.20	-2.38	-52.12
O=C(C1=CC=C(C(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196363	0	33	-1.0	-40.80	289.21	4.51	-36.29
O=C(C1=CC=C(C(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196363	1	33	-1.0	-40.76	289.29	4.53	-36.23
O=C(C1=CSC(C2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196364	0	43	-1.0	-42.42	345.93	6.64	-35.78
O=C(C1=CSC(C2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196364	1	43	-1.0	-42.38	346.00	6.65	-35.73
CC(C)(C)CC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020196365	0	41	-1.0	-41.67	335.95	4.20	-37.47
CC(C)(C)CC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020196365	1	41	-1.0	-41.72	336.02	4.21	-37.51
COC(=O)C1=CC=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196366	0	39	-1.0	-44.58	327.01	4.96	-39.62
COC(=O)C1=CC=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196366	1	39	-1.0	-44.57	327.09	4.96	-39.61
COC12CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(CC1)CC2	REAL300020196367	0	44	-1.0	-42.04	316.03	3.28	-38.76
COC12CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(CC1)CC2	REAL300020196367	1	44	-1.0	-41.98	316.10	3.29	-38.69
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196368	0	47	-1.0	-44.69	369.93	4.15	-40.54
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196368	1	47	-1.0	-44.68	370.00	4.15	-40.53
CCOC1=CC=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020196369	0	37	-1.0	-47.32	337.27	4.73	-42.59
CCOC1=CC=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020196369	1	37	-1.0	-47.32	337.34	4.73	-42.59
O=C(C1=CNC2=CC(F)=C(F)C=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196370	0	36	-1.0	-56.75	324.03	3.93	-52.82
O=C(C1=CNC2=CC(F)=C(F)C=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196370	1	36	-1.0	-56.75	324.11	3.94	-52.81
O=C(C1=CC=C2SC=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196371	0	32	-1.0	-43.35	281.18	2.92	-40.43
O=C(C1=CC=C2SC=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196371	1	32	-1.0	-43.36	281.10	2.91	-40.45
O=C(C1=CC(F)=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196372	0	30	-1.0	-41.54	286.81	4.45	-37.09
O=C(C1=CC(F)=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196372	1	30	-1.0	-41.57	286.89	4.46	-37.11
O=C(C=CC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020196373	0	34	-1.0	-45.89	304.14	5.67	-40.22
O=C(C=CC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020196373	1	34	-1.0	-45.97	304.22	5.67	-40.30
O=C(C=CC1=CC=C(Br)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196374	0	31	-1.0	-42.01	294.11	4.16	-37.85
O=C(C=CC1=CC=C(Br)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196374	1	31	-1.0	-41.98	294.18	4.16	-37.82
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC(Br)=C1	REAL300020196375	0	33	-1.0	-38.69	308.19	5.29	-33.40
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC(Br)=C1	REAL300020196375	1	33	-1.0	-38.67	308.27	5.30	-33.37
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N(C)C1=O	REAL300020196376	0	42	-1.0	-45.32	341.90	5.13	-40.19
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N(C)C1=O	REAL300020196376	1	42	-1.0	-45.31	341.97	5.15	-40.16
O=C(CC=CC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196377	0	37	-1.0	-44.56	333.06	6.70	-37.86
O=C(CC=CC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196377	1	37	-1.0	-44.57	333.14	6.72	-37.85
CSC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196378	0	40	-1.0	-43.34	342.35	6.59	-36.75
CSC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196378	1	40	-1.0	-43.33	342.42	6.61	-36.72
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196379	0	35	-1.0	-48.58	307.34	5.01	-43.57
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196379	1	35	-1.0	-48.56	307.42	5.01	-43.55
CP(C)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196380	0	39	-1.0	-49.86	329.91	3.15	-46.71
CP(C)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196380	1	39	-1.0	-49.88	329.98	3.16	-46.72
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020196381	0	35	-1.0	-51.68	306.65	-0.78	-52.46
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020196381	1	35	-1.0	-51.66	306.58	-0.78	-52.44
O=CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Cl)S1	REAL300020196382	0	29	-1.0	-46.09	278.03	3.01	-43.08
O=CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020196382	1	29	-1.0	-46.08	278.11	3.03	-43.05
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CO1	REAL300020196383	0	51	-1.0	-45.11	397.68	1.45	-43.66
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CO1	REAL300020196383	1	51	-1.0	-45.09	397.76	1.46	-43.63
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=C(Br)C=C1	REAL300020196384	0	37	-1.0	-40.99	326.46	5.33	-35.66
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=C(Br)C=C1	REAL300020196384	1	37	-1.0	-41.00	326.53	5.34	-35.66
CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196385	0	55	-1.0	-43.93	404.86	3.61	-40.32
CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196385	1	55	-1.0	-43.96	404.94	3.62	-40.34
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCC[C@H]12	REAL300020196386	0	57	-1.0	-37.64	410.46	5.65	-31.99
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCC[C@H]12	REAL300020196386	1	57	-1.0	-37.66	410.53	5.66	-32.00
CC(C)C[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020196387	0	55	-1.0	-48.58	415.38	4.52	-44.06
CC(C)C[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196387	1	55	-1.0	-48.56	415.45	4.52	-44.04
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196388	0	50	-1.0	-43.23	398.68	1.80	-41.43
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196388	1	50	-1.0	-43.21	398.76	1.80	-41.41
O=C(C1=NN2CCCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196389	0	39	-1.0	-47.12	321.52	3.41	-43.71
O=C(C1=NN2CCCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196389	1	39	-1.0	-47.12	321.59	3.42	-43.70
O=C(C1=CC(N2C=CC=C2)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020196390	0	38	-1.0	-43.46	329.28	7.01	-36.45
O=C(C1=CC(N2C=CC=C2)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020196390	1	38	-1.0	-43.47	329.35	7.01	-36.46
O=C(C1=NN(C2=CC=C(F)C(F)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196391	0	37	-1.0	-47.69	327.19	5.48	-42.21
O=C(C1=NN(C2=CC=C(F)C(F)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196391	1	37	-1.0	-47.71	327.12	5.47	-42.24
CCCCS(=O)(=O)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196392	0	38	-1.0	-59.06	326.70	1.27	-57.79
CCCCS(=O)(=O)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196392	1	38	-1.0	-59.10	326.78	1.28	-57.82
CC(C)(C)OC(=O)NCC1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020196393	0	49	-1.0	-51.22	412.68	2.42	-48.80
CC(C)(C)OC(=O)NCC1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020196393	1	49	-1.0	-51.24	412.75	2.44	-48.80
CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196394	0	51	-1.0	-37.92	396.45	3.98	-33.94
CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196394	1	51	-1.0	-37.89	396.53	4.00	-33.89
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(I)C=C1	REAL300020196395	0	36	-1.0	-43.04	324.62	6.26	-36.78
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(I)C=C1	REAL300020196395	1	36	-1.0	-43.07	324.70	6.26	-36.81
O=C(C1=CC=CC2=C1CCCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196396	0	43	-1.0	-43.37	326.05	6.57	-36.80
O=C(C1=CC=CC2=C1CCCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196396	1	43	-1.0	-43.37	326.12	6.59	-36.78
O=C(C1=NC=CC2=C(Br)C=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020196397	0	35	-1.0	-40.79	309.37	5.52	-35.27
O=C(C1=NC=CC2=C(Br)C=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020196397	1	35	-1.0	-40.85	309.30	5.50	-35.35
CC(C)(C)OC(=O)CN1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020196398	0	52	-1.0	-60.67	409.05	6.29	-54.38
CC(C)(C)OC(=O)CN1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020196398	1	52	-1.0	-60.75	409.12	6.31	-54.44
O=C(C1=CC=CC=C1N1C=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196399	0	38	-1.0	-47.30	317.33	6.76	-40.54
O=C(C1=CC=CC=C1N1C=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196399	1	38	-1.0	-47.28	317.41	6.77	-40.51
CCOC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020196400	0	43	-1.0	-50.39	355.96	6.37	-44.02
CCOC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020196400	1	43	-1.0	-50.42	356.03	6.37	-44.05
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)C1=CC=CC=C1	REAL300020196401	0	42	-1.0	-44.80	323.01	5.76	-39.04
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)C1=CC=CC=C1	REAL300020196401	1	42	-1.0	-44.81	323.08	5.77	-39.04
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196402	0	47	-1.0	-43.30	376.23	0.65	-42.65
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196402	1	47	-1.0	-43.33	376.30	0.65	-42.68
CC(C)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020196403	0	39	-1.0	-41.66	324.35	5.58	-36.08
CC(C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020196403	1	39	-1.0	-41.66	324.42	5.58	-36.08
O=C(CCC1=CC=C2OCCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196404	0	44	-1.0	-44.04	355.82	6.21	-37.83
O=C(CCC1=CC=C2OCCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196404	1	44	-1.0	-44.12	355.90	6.22	-37.90
CC1=NN(C2=CC=CC=C2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196405	0	40	-1.0	-45.26	328.86	5.27	-39.99
CC1=NN(C2=CC=CC=C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196405	1	40	-1.0	-45.27	328.93	5.28	-39.99
O=C(C1=CNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)C1=CC=CC=C1	REAL300020196406	0	40	-1.0	-52.09	335.81	5.18	-46.91
O=C(C1=CNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C1=CC=CC=C1	REAL300020196406	1	40	-1.0	-52.11	335.88	5.18	-46.93
O=C(C1=CC(=O)C(OCC2=CC=C(F)C=C2)=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196407	0	43	-1.0	-48.97	373.39	6.07	-42.90
O=C(C1=CC(=O)C(OCC2=CC=C(F)C=C2)=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196407	1	43	-1.0	-48.97	373.47	6.08	-42.89
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196408	0	40	-1.0	-41.89	336.30	5.09	-36.80
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196408	1	40	-1.0	-41.86	336.23	5.09	-36.77
CC(C)(CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OCC1=CC=CC=C1	REAL300020196409	0	50	-1.0	-47.10	398.62	4.60	-42.50
CC(C)(CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OCC1=CC=CC=C1	REAL300020196409	1	50	-1.0	-47.12	398.70	4.61	-42.51
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020196410	0	46	-1.0	-43.18	385.90	1.41	-41.77
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020196410	1	46	-1.0	-43.19	385.98	1.41	-41.78
CC(C)C[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020196411	0	55	-1.0	-48.45	415.34	4.52	-43.93
CC(C)C[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196411	1	55	-1.0	-48.39	415.42	4.52	-43.87
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(CNC(=O)OC(C)(C)C)S1	REAL300020196412	0	49	-1.0	-44.34	406.65	2.75	-41.59
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(CNC(=O)OC(C)(C)C)S1	REAL300020196412	1	49	-1.0	-44.32	406.72	2.75	-41.57
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020196413	0	51	-1.0	-48.90	397.44	3.73	-45.17
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020196413	1	51	-1.0	-48.91	397.52	3.73	-45.18
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020196414	0	51	-1.0	-48.88	395.21	5.55	-43.33
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020196414	1	51	-1.0	-48.87	395.29	5.57	-43.30
O=C(CC1=C(Br)SC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196415	0	30	-1.0	-44.06	290.66	4.38	-39.68
O=C(CC1=C(Br)SC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196415	1	30	-1.0	-44.08	290.73	4.40	-39.68
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1(O)CCCCCC1	REAL300020196416	0	43	-1.0	-36.79	321.07	2.41	-34.38
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1(O)CCCCCC1	REAL300020196416	1	43	-1.0	-36.77	321.15	2.42	-34.35
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196417	0	47	-1.0	-44.86	374.69	6.94	-37.92
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196417	1	47	-1.0	-44.87	374.76	6.94	-37.93
O=C(C1=CC=C(C2CC(=O)C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196418	0	39	-1.0	-47.73	318.49	5.25	-42.48
O=C(C1=CC=C(C2CC(=O)C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196418	1	39	-1.0	-47.74	318.57	5.27	-42.47
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(O)CC(C2=CC=CC=C2)C1	REAL300020196419	0	41	-1.0	-41.89	330.53	3.34	-38.55
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(O)CC(C2=CC=CC=C2)C1	REAL300020196419	1	41	-1.0	-41.89	330.60	3.36	-38.53
O=C(CCC1=C2C=CC=CC2=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196420	0	39	-1.0	-45.17	329.03	4.16	-41.01
O=C(CCC1=C2C=CC=CC2=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196420	1	39	-1.0	-45.20	329.10	4.18	-41.02
O=C(C1=C(Cl)C([N+](=O)[O-])=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196421	0	29	-1.0	-40.29	275.88	2.66	-37.63
O=C(C1=C(Cl)C([N+](=O)[O-])=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196421	1	29	-1.0	-40.27	275.95	2.67	-37.60
CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1(O)CCC(C2=CC=CC=C2)CC1	REAL300020196422	0	56	-1.0	-42.87	411.27	6.33	-36.54
CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1(O)CCC(C2=CC=CC=C2)CC1	REAL300020196422	1	56	-1.0	-42.85	411.36	6.34	-36.51
COC1=C(Cl)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196423	0	34	-1.0	-46.31	302.83	4.27	-42.04
COC1=C(Cl)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196423	1	34	-1.0	-46.28	302.90	4.28	-42.00
CC1=CC=CC(NC(=O)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196424	0	37	-1.0	-38.63	311.63	2.98	-35.65
CC1=CC=CC(NC(=O)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196424	1	37	-1.0	-38.64	311.71	2.99	-35.65
CC(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C(C)C)N1	REAL300020196425	0	46	-1.0	-44.68	358.57	5.30	-39.38
CC(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C(C)C)N1	REAL300020196425	1	46	-1.0	-44.69	358.65	5.31	-39.38
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C2CCCCN12	REAL300020196426	0	40	-1.0	-47.29	317.96	5.07	-42.22
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C2CCCCN12	REAL300020196426	1	40	-1.0	-47.27	318.03	5.07	-42.20
CCCOC1=CC=C2NC=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020196427	0	47	-1.0	-50.13	385.53	5.84	-44.29
CCCOC1=CC=C2NC=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020196427	1	47	-1.0	-50.15	385.60	5.85	-44.30
N#CC1=C2CCCCN2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196428	0	39	-1.0	-42.98	318.57	5.15	-37.83
N#CC1=C2CCCCN2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196428	1	39	-1.0	-42.96	318.64	5.15	-37.81
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020196429	0	38	-1.0	-48.71	345.67	0.84	-47.87
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020196429	1	38	-1.0	-48.71	345.74	0.84	-47.87
COC(=O)C1=C2CCCCN2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196430	0	44	-1.0	-43.29	351.48	5.33	-37.96
COC(=O)C1=C2CCCCN2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196430	1	44	-1.0	-43.27	351.55	5.34	-37.93
O=C(C1CCC2=NNC(=O)N2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196431	0	37	-1.0	-47.85	305.20	1.73	-46.12
O=C(C1CCC2=NNC(=O)N2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196431	1	37	-1.0	-47.86	305.27	1.75	-46.11
CC1=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C(F)(F)F)O1	REAL300020196432	0	36	-1.0	-44.08	321.47	4.53	-39.55
CC1=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C(F)(F)F)O1	REAL300020196432	1	36	-1.0	-44.08	321.54	4.55	-39.53
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020196433	0	55	-1.0	-49.21	412.52	4.63	-44.58
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020196433	1	55	-1.0	-49.21	412.60	4.64	-44.57
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CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)COC1	REAL300020196483	0	48	-1.0	-49.37	375.25	2.01	-47.36
CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)COC1	REAL300020196483	1	48	-1.0	-49.33	375.32	2.02	-47.31
O=C(C1=CC(Br)=CC(N2C=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196484	0	38	-1.0	-41.64	332.03	6.96	-34.68
O=C(C1=CC(Br)=CC(N2C=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196484	1	38	-1.0	-41.66	332.10	6.96	-34.70
CC(C)(C)OC(=O)C12CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(C1)C2	REAL300020196485	0	46	-1.0	-44.02	364.79	6.15	-37.87
CC(C)(C)OC(=O)C12CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(C1)C2	REAL300020196485	1	46	-1.0	-44.05	364.86	6.16	-37.89
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1Cl	REAL300020196486	0	33	-1.0	-43.74	306.87	3.36	-40.38
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1Cl	REAL300020196486	1	33	-1.0	-43.73	306.79	3.35	-40.38
O=C(CN1CCCC(C(F)(F)F)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196487	0	40	-1.0	-54.65	337.02	3.98	-50.67
O=C(CN1CCCC(C(F)(F)F)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196487	1	40	-1.0	-54.65	337.09	3.99	-50.66
O=C(C1=CC=C2CCNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196488	0	38	-1.0	-55.95	309.63	2.01	-53.94
O=C(C1=CC=C2CCNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196488	1	38	-1.0	-55.97	309.70	2.02	-53.95
CC1=CC2=CC=NC=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196489	0	38	-1.0	-46.42	313.97	4.84	-41.58
CC1=CC2=CC=NC=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196489	1	38	-1.0	-46.42	313.90	4.82	-41.60
CC(C)(C)OCCOCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196490	0	46	-1.0	-43.30	366.02	3.20	-40.10
CC(C)(C)OCCOCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196490	1	46	-1.0	-43.31	366.09	3.21	-40.10
O=C(C1=NN2C=C(Br)C=CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196491	0	33	-1.0	-42.57	305.66	4.49	-38.08
O=C(C1=NN2C=C(Br)C=CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196491	1	33	-1.0	-42.55	305.59	4.47	-38.08
CC(C)C1CCC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C1	REAL300020196492	0	46	-1.0	-41.99	361.94	7.12	-34.87
CC(C)C1CCC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C1	REAL300020196492	1	46	-1.0	-42.01	362.02	7.12	-34.89
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=CC(Br)=C1	REAL300020196493	0	37	-1.0	-40.63	326.39	5.35	-35.28
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=CC(Br)=C1	REAL300020196493	1	37	-1.0	-40.66	326.46	5.36	-35.30
COC(=O)C1=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1	REAL300020196494	0	40	-1.0	-47.98	343.80	3.98	-44.00
COC(=O)C1=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1	REAL300020196494	1	40	-1.0	-48.00	343.87	4.00	-44.00
O=C(C1CCCC(NC2=CN=CC=N2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196495	0	46	-1.0	-44.65	359.78	3.54	-41.11
O=C(C1CCCC(NC2=CN=CC=N2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196495	1	46	-1.0	-44.62	359.71	3.53	-41.09
O=C(C1=CC=C(NC2=NC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196496	0	40	-1.0	-47.92	331.51	6.23	-41.69
O=C(C1=CC=C(NC2=NC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196496	1	40	-1.0	-47.93	331.44	6.21	-41.72
CN(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CSC=N1	REAL300020196497	0	37	-1.0	-46.08	310.28	0.71	-45.37
CN(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CSC=N1	REAL300020196497	1	37	-1.0	-46.11	310.35	0.72	-45.39
CC1=CC(Br)=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020196498	0	35	-1.0	-47.22	317.15	4.34	-42.88
CC1=CC(Br)=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020196498	1	35	-1.0	-47.23	317.23	4.36	-42.87
O=C(C1=CC=C2CCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196499	0	38	-1.0	-49.44	309.88	2.74	-46.70
O=C(C1=CC=C2CCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196499	1	38	-1.0	-49.40	309.95	2.75	-46.65
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196500	0	40	-1.0	-44.80	335.46	5.47	-39.33
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196500	1	40	-1.0	-44.82	335.54	5.49	-39.33
CC1=CC=CN2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C12	REAL300020196501	0	39	-1.0	-51.51	328.67	5.75	-45.76
CC1=CC=CN2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C12	REAL300020196501	1	39	-1.0	-51.53	328.75	5.75	-45.78
CC(C)(C)OC(=O)NCC(CC1CCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196502	0	59	-1.0	-48.21	433.97	5.45	-42.76
CC(C)(C)OC(=O)NCC(CC1CCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196502	1	59	-1.0	-48.24	434.05	5.46	-42.78
CC(C)(C)OC(=O)NCCCCSCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196503	0	53	-1.0	-50.26	434.76	4.47	-45.79
CC(C)(C)OC(=O)NCCCCSCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196503	1	53	-1.0	-50.26	434.83	4.48	-45.78
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL300020196504	0	44	-1.0	-41.36	353.74	6.96	-34.40
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL300020196504	1	44	-1.0	-41.43	353.82	6.96	-34.47
O=C(C1=C(CO)C2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196505	0	37	-1.0	-41.06	313.34	1.81	-39.25
O=C(C1=C(CO)C2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196505	1	37	-1.0	-41.07	313.41	1.81	-39.26
CS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196506	0	39	-1.0	-54.61	341.41	2.30	-52.31
CS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196506	1	39	-1.0	-54.58	341.48	2.30	-52.28
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=CO1	REAL300020196507	0	40	-1.0	-45.43	339.61	6.30	-39.13
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=CO1	REAL300020196507	1	40	-1.0	-45.47	339.68	6.31	-39.16
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Br)C=N2)CCC1	REAL300020196508	0	39	-1.0	-39.18	334.11	5.21	-33.97
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Br)C=N2)CCC1	REAL300020196508	1	39	-1.0	-39.14	334.04	5.19	-33.95
CC1=C(CC(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N1	REAL300020196509	0	43	-1.0	-40.92	359.19	6.01	-34.91
CC1=C(CC(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N1	REAL300020196509	1	43	-1.0	-40.94	359.27	6.02	-34.92
O=C(C1=C(Cl)C=CC=C1OCC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196510	0	41	-1.0	-48.25	358.31	6.20	-42.05
O=C(C1=C(Cl)C=CC=C1OCC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196510	1	41	-1.0	-48.25	358.38	6.20	-42.05
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CCCCC2)=NO1	REAL300020196511	0	45	-1.0	-41.00	363.12	6.11	-34.89
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CCCCC2)=NO1	REAL300020196511	1	45	-1.0	-41.05	363.19	6.12	-34.93
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CCCC2)=NO1	REAL300020196512	0	42	-1.0	-41.05	344.69	5.46	-35.59
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CCCC2)=NO1	REAL300020196512	1	42	-1.0	-41.10	344.76	5.47	-35.63
CC(C)COC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196513	0	43	-1.0	-45.26	363.01	6.63	-38.63
CC(C)COC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196513	1	43	-1.0	-45.25	363.08	6.65	-38.60
CN1C=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCO2)C=N1	REAL300020196514	0	41	-1.0	-44.79	326.38	2.64	-42.15
CN1C=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCO2)C=N1	REAL300020196514	1	41	-1.0	-44.75	326.31	2.62	-42.13
O=C(CC1=CC=C2OC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196515	0	36	-1.0	-49.18	312.51	2.28	-46.90
O=C(CC1=CC=C2OC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196515	1	36	-1.0	-49.16	312.59	2.29	-46.87
CC(C)(C)CN1C(=O)NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020196516	0	49	-1.0	-50.12	384.59	4.99	-45.13
CC(C)(C)CN1C(=O)NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020196516	1	49	-1.0	-50.07	384.66	4.99	-45.08
O=C(C1=C2COCCN2C(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196517	0	45	-1.0	-46.64	363.22	5.40	-41.24
O=C(C1=C2COCCN2C(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196517	1	45	-1.0	-46.71	363.15	5.39	-41.32
O=C(C1=C2C(=CC=C1)C=CN2CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196518	0	47	-1.0	-44.28	381.47	8.87	-35.41
O=C(C1=C2C(=CC=C1)C=CN2CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196518	1	47	-1.0	-44.29	381.57	8.89	-35.40
C=CCCCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196519	0	43	-1.0	-43.86	348.74	7.12	-36.74
C=CCCCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196519	1	43	-1.0	-43.87	348.81	7.14	-36.73
O=C(C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196520	0	40	-1.0	-41.27	349.67	6.01	-35.26
O=C(C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196520	1	40	-1.0	-41.24	349.60	5.99	-35.25
O=C(C1=CC(C(=O)N2CCCCC2)=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196521	0	47	-1.0	-55.00	363.85	5.44	-49.56
O=C(C1=CC(C(=O)N2CCCCC2)=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196521	1	47	-1.0	-55.03	363.93	5.45	-49.58
CCCCCCCSC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196522	0	52	-1.0	-43.01	419.04	9.32	-33.69
CCCCCCCSC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196522	1	52	-1.0	-42.99	419.11	9.34	-33.65
O=C(C1CCC2(CC2(F)F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196523	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	REAL300020196523	1	40	-1.0	-47.12	315.69	5.60	-41.52
O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196524	0	42	-1.0	-57.30	349.34	1.87	-55.43
O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196524	1	42	-1.0	-57.35	349.41	1.87	-55.48
CCOC(=O)C1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196525	0	36	-1.0	-42.47	311.26	2.00	-40.47
CCOC(=O)C1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196525	1	36	-1.0	-42.48	311.33	2.01	-40.47
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196526	0	46	0.0	-66.55	354.93	6.67	-59.88
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196526	1	46	0.0	-65.77	356.78	6.74	-59.03
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196526	1	46	0.0	-66.58	355.00	6.69	-59.89
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196526	1	46	0.0	-65.77	356.85	6.76	-59.01
CC(C)(C)OC(=O)N1CCC(C(O)C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020196527	0	54	-1.0	-43.65	405.84	3.52	-40.13
CC(C)(C)OC(=O)N1CCC(C(O)C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020196527	1	54	-1.0	-43.69	405.92	3.53	-40.16
O=C(C1=CC=C(C2(O)COC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196528	0	39	-1.0	-45.77	315.25	0.70	-45.07
O=C(C1=CC=C(C2(O)COC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196528	1	39	-1.0	-45.77	315.32	0.71	-45.06
CC(C)(C)OC(=O)N1CCCC1C(=O)CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196529	0	55	-1.0	-48.48	434.61	6.00	-42.48
CC(C)(C)OC(=O)N1CCCC1C(=O)CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196529	1	55	-1.0	-48.51	434.69	6.01	-42.50
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1Cl	REAL300020196530	0	30	-1.0	-42.58	289.81	2.87	-39.71
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1Cl	REAL300020196530	1	30	-1.0	-42.55	289.74	2.86	-39.69
CC(C)(C)OC(=O)N1CC(C)(C)CC1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196531	0	56	-1.0	-44.90	427.77	5.96	-38.94
CC(C)(C)OC(=O)N1CC(C)(C)CC1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196531	1	56	-1.0	-44.88	427.84	5.98	-38.90
O=C(CC(C(F)F)N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196532	0	42	-1.0	-43.10	328.97	1.27	-41.83
O=C(CC(C(F)F)N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196532	1	42	-1.0	-43.10	329.05	1.29	-41.81
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC(C2=CC=CN=C2)=N1	REAL300020196533	0	39	-1.0	-43.50	325.42	3.43	-40.07
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC(C2=CC=CN=C2)=N1	REAL300020196533	1	39	-1.0	-43.46	325.49	3.45	-40.01
CC1=CC(C)=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020196534	0	38	-1.0	-43.61	325.24	4.46	-39.15
CC1=CC(C)=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020196534	1	38	-1.0	-43.59	325.32	4.46	-39.13
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CN=C1C(F)(F)F	REAL300020196535	0	34	-1.0	-41.57	297.02	1.30	-40.27
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CN=C1C(F)(F)F	REAL300020196535	1	34	-1.0	-41.62	296.94	1.29	-40.33
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196536	0	50	-1.0	-52.15	385.00	4.70	-47.45
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196536	1	50	-1.0	-52.16	385.08	4.71	-47.45
CC(C)(C)OC(=O)N1CCC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)CC1	REAL300020196537	0	57	-1.0	-52.69	424.69	6.51	-46.18
CC(C)(C)OC(=O)N1CCC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)CC1	REAL300020196537	1	57	-1.0	-52.70	424.76	6.51	-46.19
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N=C1	REAL300020196538	0	41	-1.0	-43.22	339.23	5.49	-37.73
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N=C1	REAL300020196538	1	41	-1.0	-43.22	339.16	5.47	-37.75
CC1=CC=CC=C1CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020196539	0	52	-1.0	-43.86	409.55	9.86	-34.00
CC1=CC=CC=C1CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020196539	1	52	-1.0	-43.84	409.62	9.88	-33.96
COC1(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020196540	0	43	-1.0	-39.12	327.06	5.00	-34.12
COC1(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020196540	1	43	-1.0	-39.14	327.14	5.02	-34.12
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2CCCO2)CCCO1	REAL300020196541	0	42	-1.0	-43.25	315.30	2.51	-40.74
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2CCCO2)CCCO1	REAL300020196541	1	42	-1.0	-43.26	315.37	2.52	-40.74
O=C(C=CC1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196542	0	34	-1.0	-45.64	301.80	5.35	-40.29
O=C(C=CC1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196542	1	34	-1.0	-45.67	301.87	5.36	-40.31
CN(C)S(=O)(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020196543	0	46	-1.0	-52.10	371.69	0.97	-51.13
CN(C)S(=O)(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020196543	1	46	-1.0	-52.12	371.76	0.98	-51.14
O=C(CCC1=CN=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196544	0	35	-1.0	-42.68	318.36	4.41	-38.27
O=C(CCC1=CN=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196544	1	35	-1.0	-42.66	318.29	4.40	-38.26
O=C(C1=CC(F)=CC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196545	0	34	-1.0	-43.31	295.69	3.20	-40.11
O=C(C1=CC(F)=CC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196545	1	34	-1.0	-43.33	295.76	3.21	-40.12
CCCCCCCCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196546	0	54	-1.0	-43.47	421.92	9.68	-33.79
CCCCCCCCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196546	1	54	-1.0	-43.49	422.00	9.70	-33.79
O=C(C1C2CC1(C1=CC=CN=C1)CC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196547	0	43	-1.0	-47.33	338.36	5.57	-41.76
O=C(C1C2CC1(C1=CC=CN=C1)CC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196547	1	43	-1.0	-47.35	338.28	5.56	-41.79
CC(C)(C)C1=CN=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196548	0	41	-1.0	-42.85	340.13	4.66	-38.19
CC(C)(C)C1=CN=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196548	1	41	-1.0	-42.89	340.05	4.66	-38.23
CC1(C)OC(=O)C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020196549	0	40	-1.0	-47.34	334.29	5.40	-41.94
CC1(C)OC(=O)C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020196549	1	40	-1.0	-47.34	334.36	5.40	-41.94
O=C(C1=CC(C2=C(F)C=CC=C2F)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196550	0	36	-1.0	-43.29	319.74	5.04	-38.25
O=C(C1=CC(C2=C(F)C=CC=C2F)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196550	1	36	-1.0	-43.28	319.66	5.02	-38.26
CCCCNC(=O)CSC1=CC=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196551	0	49	-1.0	-52.70	414.14	4.55	-48.15
CCCCNC(=O)CSC1=CC=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196551	1	49	-1.0	-52.69	414.07	4.53	-48.16
NC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196552	0	36	-1.0	-46.13	317.73	0.32	-45.81
NC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196552	1	36	-1.0	-46.16	317.80	0.32	-45.84
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196553	0	47	-1.0	-49.49	372.17	0.05	-49.44
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196553	1	47	-1.0	-49.52	372.24	0.05	-49.47
CC1CCC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196554	0	53	-1.0	-48.23	398.33	4.70	-43.53
CC1CCC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196554	1	53	-1.0	-48.26	398.40	4.71	-43.55
CC1CCCC1(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196555	0	54	-1.0	-51.61	415.80	6.70	-44.91
CC1CCCC1(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196555	1	54	-1.0	-51.59	415.88	6.71	-44.88
O=C(C1=CN=C(C2=CC=CC=C2Cl)N=C1C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196556	0	45	-1.0	-42.89	380.10	8.00	-34.89
O=C(C1=CN=C(C2=CC=CC=C2Cl)N=C1C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196556	1	45	-1.0	-42.84	380.03	8.00	-34.84
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCCCO1	REAL300020196557	0	44	-1.0	-40.93	337.55	5.87	-35.06
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCCCO1	REAL300020196557	1	44	-1.0	-40.93	337.62	5.88	-35.05
CN1N=C(C2CCOCC2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196558	0	44	-1.0	-41.51	344.82	2.80	-38.71
CN1N=C(C2CCOCC2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196558	1	44	-1.0	-41.54	344.90	2.81	-38.73
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196559	0	40	-1.0	-49.23	337.42	6.20	-43.03
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196559	1	40	-1.0	-49.22	337.34	6.20	-43.02
O=C(C1=NN2C=CNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196560	0	33	-1.0	-51.68	288.95	0.84	-50.84
O=C(C1=NN2C=CNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196560	1	33	-1.0	-51.71	289.02	0.85	-50.86
COC(=O)C1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020196561	0	38	-1.0	-42.88	317.33	3.05	-39.83
COC(=O)C1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020196561	1	38	-1.0	-42.89	317.40	3.05	-39.84
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1F	REAL300020196562	0	40	-1.0	-48.70	341.36	5.96	-42.74
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1F	REAL300020196562	1	40	-1.0	-48.65	341.44	5.97	-42.68
CC(=O)NC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020196563	0	43	-1.0	-40.58	336.55	2.90	-37.68
CC(=O)NC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020196563	1	43	-1.0	-40.56	336.62	2.91	-37.65
CN(C)C(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020196564	0	39	-1.0	-43.82	319.45	2.69	-41.13
CN(C)C(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020196564	1	39	-1.0	-43.76	319.38	2.67	-41.09
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C2C1=O	REAL300020196565	0	38	-1.0	-42.44	317.84	4.94	-37.50
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C2C1=O	REAL300020196565	1	38	-1.0	-42.47	317.91	4.96	-37.51
CNC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196566	0	39	-1.0	-46.07	339.65	1.76	-44.31
CNC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196566	1	39	-1.0	-46.11	339.73	1.76	-44.35
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300020196567	0	37	-1.0	-49.52	309.33	3.88	-45.64
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300020196567	1	37	-1.0	-49.56	309.41	3.89	-45.67
CN1C=C(Br)C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020196568	0	33	-1.0	-47.86	304.46	3.01	-44.85
CN1C=C(Br)C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020196568	1	33	-1.0	-47.89	304.53	3.02	-44.87
O=C(C1CCC(C(F)(F)F)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196569	0	35	-1.0	-44.46	296.38	0.91	-43.55
O=C(C1CCC(C(F)(F)F)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196569	1	35	-1.0	-44.48	296.46	0.93	-43.55
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=CC=CC=C21	REAL300020196570	0	39	-1.0	-42.22	324.90	6.52	-35.70
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=CC=CC=C21	REAL300020196570	1	39	-1.0	-42.25	324.98	6.53	-35.72
O=C(CN1C=CC2=CC(Br)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020196571	0	37	-1.0	-47.26	335.24	6.82	-40.44
O=C(CN1C=CC2=CC(Br)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020196571	1	37	-1.0	-47.26	335.32	6.83	-40.43
O=C(C1=NN2C=CC=C(Br)C2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196572	0	32	-1.0	-51.50	300.43	4.30	-47.20
O=C(C1=NN2C=CC=C(Br)C2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196572	1	32	-1.0	-51.52	300.36	4.29	-47.23
CC1=CC=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C12	REAL300020196573	0	38	-1.0	-45.33	311.51	4.80	-40.53
CC1=CC=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C12	REAL300020196573	1	38	-1.0	-45.33	311.44	4.79	-40.54
COC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020196574	0	41	-1.0	-44.65	336.82	5.07	-39.58
COC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020196574	1	41	-1.0	-44.63	336.89	5.08	-39.55
CC(C)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020196575	0	43	-1.0	-44.75	333.32	2.24	-42.51
CC(C)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020196575	1	43	-1.0	-44.74	333.39	2.25	-42.49
CC1=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=CC(Br)=C1	REAL300020196576	0	37	-1.0	-40.97	326.82	5.36	-35.61
CC1=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=CC(Br)=C1	REAL300020196576	1	37	-1.0	-40.97	326.89	5.37	-35.60
NC1=C(Cl)N=CN=C1NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196577	0	35	-1.0	-41.65	312.18	0.84	-40.81
NC1=C(Cl)N=CN=C1NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196577	1	35	-1.0	-41.66	312.10	0.83	-40.83
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NN=C1C(F)(F)F	REAL300020196578	0	33	-1.0	-38.99	287.73	2.06	-36.93
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NN=C1C(F)(F)F	REAL300020196578	1	33	-1.0	-39.01	287.81	2.07	-36.94
CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196579	0	44	-1.0	-44.63	352.79	-0.74	-45.37
CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196579	1	44	-1.0	-44.67	352.87	-0.73	-45.40
CC(C)(C)OC(=O)N1CC(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CO2)C1	REAL300020196580	0	50	-1.0	-45.93	409.10	2.38	-43.55
CC(C)(C)OC(=O)N1CC(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CO2)C1	REAL300020196580	1	50	-1.0	-45.96	409.17	2.38	-43.58
O=C(C1=CC=NC=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196581	0	36	-1.0	-48.99	304.14	3.61	-45.38
O=C(C1=CC=NC=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196581	1	36	-1.0	-48.97	304.07	3.59	-45.38
O=C(C1=CSC(C2=CNC=N2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196582	0	33	-1.0	-50.78	301.18	2.79	-47.99
O=C(C1=CSC(C2=CNC=N2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196582	1	33	-1.0	-50.73	301.25	2.79	-47.94
NS(=O)(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020196583	0	35	-1.0	-43.38	288.85	-2.29	-45.67
NS(=O)(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020196583	1	35	-1.0	-43.44	288.92	-2.27	-45.71
O=C(CC1=NC(C(F)(F)F)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196584	0	32	-1.0	-46.62	306.16	2.87	-43.75
O=C(CC1=NC(C(F)(F)F)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196584	1	32	-1.0	-46.63	306.23	2.88	-43.75
CC1=CC=CC=C1C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020196585	0	46	-1.0	-44.91	361.18	8.15	-36.76
CC1=CC=CC=C1C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020196585	1	46	-1.0	-44.90	361.25	8.16	-36.74
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020196586	0	39	-1.0	-43.81	327.00	4.96	-38.85
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020196586	1	39	-1.0	-43.83	327.08	4.97	-38.86
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020196587	0	36	-1.0	-42.87	323.15	4.87	-38.00
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020196587	1	36	-1.0	-42.91	323.23	4.87	-38.04
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1(C)C	REAL300020196588	0	56	-1.0	-49.42	401.01	5.65	-43.77
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1(C)C	REAL300020196588	1	56	-1.0	-49.43	401.09	5.66	-43.77
O=C(C1=CC(Cl)=NC=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196589	0	36	-1.0	-46.16	336.04	3.76	-42.40
O=C(C1=CC(Cl)=NC=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196589	1	36	-1.0	-46.14	335.97	3.76	-42.38
CC(C)(C)OC(=O)N1OC2CCCC2C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196590	0	52	-1.0	-54.81	399.34	4.92	-49.89
CC(C)(C)OC(=O)N1OC2CCCC2C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196590	1	52	-1.0	-54.83	399.42	4.92	-49.91
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCOC1	REAL300020196591	0	51	-1.0	-41.13	391.60	1.92	-39.21
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCOC1	REAL300020196591	1	51	-1.0	-41.05	391.67	1.93	-39.12
CC(C)(C)OC(=O)N1CC2(CC2(F)F)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196592	0	51	-1.0	-50.17	413.40	5.79	-44.38
CC(C)(C)OC(=O)N1CC2(CC2(F)F)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196592	1	51	-1.0	-50.15	413.47	5.81	-44.34
CC[C@H](C)[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020196593	0	55	-1.0	-49.53	418.36	4.88	-44.65
CC[C@H](C)[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196593	1	55	-1.0	-49.50	418.43	4.90	-44.60
CC(C)(C)OC(=O)N1CC2(C1)COC(CC(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020196594	0	55	-1.0	-50.91	431.46	4.75	-46.16
CC(C)(C)OC(=O)N1CC2(C1)COC(CC(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020196594	1	55	-1.0	-50.89	431.53	4.76	-46.13
CC1=CC(Cl)=CC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196595	0	36	-1.0	-40.71	315.55	5.49	-35.22
CC1=CC(Cl)=CC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196595	1	36	-1.0	-40.69	315.63	5.50	-35.19
CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020196596	0	43	-1.0	-46.01	337.41	2.92	-43.09
CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020196596	1	43	-1.0	-46.00	337.49	2.94	-43.06
O=C(C1CC2(C1)CC1(CCC1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196597	0	44	-1.0	-42.23	345.04	6.76	-35.47
O=C(C1CC2(C1)CC1(CCC1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196597	1	44	-1.0	-42.26	345.11	6.76	-35.50
CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196598	0	56	-1.0	-51.91	418.97	6.20	-45.71
CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196598	1	56	-1.0	-51.95	419.04	6.20	-45.75
O=C(C1=CC(C2CC2)=NC2=CC=NN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020196599	0	39	-1.0	-47.56	334.61	5.06	-42.50
O=C(C1=CC(C2CC2)=NC2=CC=NN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020196599	1	39	-1.0	-47.59	334.69	5.06	-42.53
O=C(CON=C1CCCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196600	0	43	-1.0	-46.14	339.61	5.47	-40.67
O=C(CON=C1CCCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196600	1	43	-1.0	-46.16	339.68	5.49	-40.67
O=C(CC(N1CCOCC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196601	0	42	-1.0	-42.10	334.25	1.43	-40.67
O=C(CC(N1CCOCC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196601	1	42	-1.0	-42.07	334.33	1.45	-40.62
O=C(C1=C2SC=CC2=NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196602	0	32	-1.0	-44.23	285.40	3.25	-40.98
O=C(C1=C2SC=CC2=NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196602	1	32	-1.0	-44.22	285.32	3.24	-40.98
CN1CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2NC1=O	REAL300020196603	0	40	-1.0	-46.99	324.37	2.72	-44.27
CN1CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2NC1=O	REAL300020196603	1	40	-1.0	-47.03	324.44	2.73	-44.30
CC(C)(C)OC(=O)NCCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196604	0	53	-1.0	-49.31	419.31	4.78	-44.53
CC(C)(C)OC(=O)NCCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196604	1	53	-1.0	-49.28	419.39	4.80	-44.48
CC1=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020196605	0	33	-1.0	-42.79	311.62	4.90	-37.89
CC1=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020196605	1	33	-1.0	-42.82	311.69	4.92	-37.90
COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196606	0	52	-1.0	-43.57	412.51	2.81	-40.76
COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196606	1	52	-1.0	-43.60	412.58	2.83	-40.77
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196607	0	49	-1.0	-46.81	389.25	3.37	-43.44
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196607	1	49	-1.0	-46.78	389.32	3.38	-43.40
CC(F)(F)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020196608	0	40	-1.0	-43.22	294.99	2.81	-40.41
CC(F)(F)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020196608	1	40	-1.0	-43.22	295.07	2.81	-40.41
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1N	REAL300020196609	0	38	-1.0	-41.37	318.62	1.70	-39.67
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1N	REAL300020196609	1	38	-1.0	-41.37	318.69	1.70	-39.67
O=C(N1CCC(C2=N[N-]N=N2)C1)[C@]12CC(=O)N[C@H]1CCCC2	REAL300020196610	0	41	-1.0	-48.31	308.71	1.18	-47.13
O=C(N1CCC(C2=NN=N[N-]2)C1)[C@]12CC(=O)N[C@H]1CCCC2	REAL300020196610	1	41	-1.0	-48.33	308.78	1.20	-47.13
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2CCCCO2)CCCO1	REAL300020196611	0	45	-1.0	-45.49	336.34	4.04	-41.45
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2CCCCO2)CCCO1	REAL300020196611	1	45	-1.0	-45.48	336.41	4.05	-41.43
CC1=CC=CC(C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2CCCCC2)=C1	REAL300020196612	0	52	-1.0	-43.89	397.95	8.82	-35.07
CC1=CC=CC(C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2CCCCC2)=C1	REAL300020196612	1	52	-1.0	-43.94	398.02	8.84	-35.10
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC(F)=C2)=N1	REAL300020196613	0	40	-1.0	-46.79	335.24	5.07	-41.72
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC(F)=C2)=N1	REAL300020196613	1	40	-1.0	-46.76	335.17	5.06	-41.70
CS(=O)(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020196614	0	33	-1.0	-51.11	299.27	1.20	-49.91
CS(=O)(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020196614	1	33	-1.0	-51.10	299.34	1.20	-49.90
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CSC=C2)=NO1	REAL300020196615	0	36	-1.0	-41.28	326.88	4.77	-36.51
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CSC=C2)=NO1	REAL300020196615	1	36	-1.0	-41.27	326.80	4.75	-36.52
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020196616	0	38	-1.0	-47.14	335.26	5.73	-41.41
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020196616	1	38	-1.0	-47.12	335.18	5.72	-41.40
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020196617	0	56	-1.0	-49.56	423.65	5.22	-44.34
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020196617	1	56	-1.0	-49.57	423.72	5.23	-44.34
CC(C)(C)OC(=O)N1CCC2=C(C=CO2)C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196618	0	51	-1.0	-46.08	396.99	5.27	-40.81
CC(C)(C)OC(=O)N1CCC2=C(C=CO2)C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196618	1	51	-1.0	-46.09	397.06	5.28	-40.81
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196619	0	48	-1.0	-44.73	376.36	1.17	-43.56
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196619	1	48	-1.0	-44.71	376.43	1.17	-43.54
CC1=CN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020196620	0	33	-1.0	-41.66	292.40	4.23	-37.43
CC1=CN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020196620	1	33	-1.0	-41.62	292.47	4.24	-37.38
CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020196621	0	39	-1.0	-45.72	333.43	6.33	-39.39
CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020196621	1	39	-1.0	-45.75	333.51	6.34	-39.41
O=C(C(O)C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196622	0	34	-1.0	-44.33	299.03	3.00	-41.33
O=C(C(O)C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196622	1	34	-1.0	-44.32	299.10	3.01	-41.31
CC1=CC=C2SC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=C1	REAL300020196623	0	38	-1.0	-43.82	324.44	6.23	-37.59
CC1=CC=C2SC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=C1	REAL300020196623	1	38	-1.0	-43.84	324.51	6.24	-37.60
O=C(CC1=CC=C(C2CCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196624	0	43	-1.0	-44.21	346.49	7.35	-36.86
O=C(CC1=CC=C(C2CCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196624	1	43	-1.0	-44.22	346.57	7.37	-36.85
O=C(C1=C(C(F)(F)F)OC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020196625	0	36	-1.0	-42.72	326.31	5.50	-37.22
O=C(C1=C(C(F)(F)F)OC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020196625	1	36	-1.0	-42.74	326.39	5.51	-37.23
O=C(C1=CC=NC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196626	0	38	-1.0	-41.95	321.88	5.68	-36.27
O=C(C1=CC=NC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196626	1	38	-1.0	-41.93	321.81	5.66	-36.27
O=C(C1=CC2=C(O)C=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196627	0	37	-1.0	-45.24	305.99	3.02	-42.22
O=C(C1=CC2=C(O)C=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196627	1	37	-1.0	-45.27	306.06	3.02	-42.25
CC(C)(C)OC(=O)N1C=CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196628	0	48	-1.0	-46.56	371.61	5.35	-41.21
CC(C)(C)OC(=O)N1C=CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196628	1	48	-1.0	-46.56	371.69	5.35	-41.21
CC(C)(C)OC(=O)N1CCOC2C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C21	REAL300020196629	0	49	-1.0	-48.44	377.35	3.79	-44.65
CC(C)(C)OC(=O)N1CCOC2C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C21	REAL300020196629	1	49	-1.0	-48.41	377.43	3.81	-44.60
COC[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020196630	0	50	-1.0	-48.13	399.04	1.99	-46.14
COC[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196630	1	50	-1.0	-48.13	399.11	1.99	-46.14
O=C(C1=CC=C2CNC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196631	0	37	-1.0	-47.76	304.35	0.62	-47.14
O=C(C1=CC=C2CNC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196631	1	37	-1.0	-47.75	304.42	0.64	-47.11
O=C(C1C2CC1(C1=CC=CC=N1)CC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196632	0	43	-1.0	-48.44	336.60	6.61	-41.83
O=C(C1C2CC1(C1=CC=CC=N1)CC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196632	1	43	-1.0	-48.43	336.53	6.59	-41.84
O=C(C1=C2N[C@@H](C3CC3)C[C@@H](C(F)F)N2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196633	0	46	-1.0	-45.57	375.17	4.43	-41.14
O=C(C1=C2N[C@@H](C3CC3)C[C@@H](C(F)F)N2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196633	1	46	-1.0	-45.57	375.10	4.43	-41.14
CC(C)(C)OC(=O)N1CCCC2C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C21	REAL300020196634	0	51	-1.0	-47.96	396.03	5.59	-42.37
CC(C)(C)OC(=O)N1CCCC2C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C21	REAL300020196634	1	51	-1.0	-47.94	396.10	5.60	-42.34
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020196635	0	47	-1.0	-41.08	363.52	2.69	-38.39
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020196635	1	47	-1.0	-41.09	363.60	2.71	-38.38
COC(=O)C[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020196636	0	52	-1.0	-52.31	418.24	3.48	-48.83
COC(=O)C[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020196636	1	52	-1.0	-52.29	418.31	3.50	-48.79
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)CO2	REAL300020196637	0	52	-1.0	-47.96	405.82	3.12	-44.84
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)CO2	REAL300020196637	1	52	-1.0	-48.01	405.90	3.12	-44.89
CC1=NSC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1NC(=O)OC(C)(C)C	REAL300020196638	0	46	-1.0	-42.51	377.61	2.58	-39.93
CC1=NSC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1NC(=O)OC(C)(C)C	REAL300020196638	1	46	-1.0	-42.53	377.69	2.58	-39.95
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196639	0	53	-1.0	-42.94	396.12	4.56	-38.38
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196639	1	53	-1.0	-42.95	396.20	4.56	-38.39
CN1N=NC(CNC(=O)OC(C)(C)C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196640	0	49	-1.0	-42.52	404.28	0.64	-41.88
CN1N=NC(CNC(=O)OC(C)(C)C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196640	1	49	-1.0	-42.61	404.35	0.66	-41.95
O=C(C1=NN2C=C(Br)C=CC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196641	0	32	-1.0	-45.64	300.34	4.59	-41.05
O=C(C1=NN2C=C(Br)C=CC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196641	1	32	-1.0	-45.61	300.27	4.59	-41.02
O=C(C1=CSC(COC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196642	0	40	-1.0	-44.42	351.76	4.75	-39.67
O=C(C1=CSC(COC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196642	1	40	-1.0	-44.39	351.83	4.76	-39.63
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CN=CS1	REAL300020196643	0	29	-1.0	-39.58	273.40	1.97	-37.61
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CN=CS1	REAL300020196643	1	29	-1.0	-39.62	273.32	1.95	-37.67
O=C(C#CC12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196644	0	46	-1.0	-41.35	352.04	7.36	-33.99
O=C(C#CC12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196644	1	46	-1.0	-41.37	352.12	7.37	-34.00
O=C(C1=CC2=CC=C(Br)C(F)=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196645	0	34	-1.0	-40.51	311.28	4.75	-35.76
O=C(C1=CC2=CC=C(Br)C(F)=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196645	1	34	-1.0	-40.55	311.35	4.75	-35.80
CC1=C(C)C2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N2)O1	REAL300020196646	0	37	-1.0	-43.95	306.20	3.60	-40.35
CC1=C(C)C2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N2)O1	REAL300020196646	1	37	-1.0	-44.00	306.27	3.61	-40.39
CC1=C(Cl)C=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020196647	0	37	-1.0	-40.80	319.67	5.19	-35.61
CC1=C(Cl)C=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020196647	1	37	-1.0	-40.81	319.74	5.21	-35.60
COC1=CC=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N(C)C2=C1	REAL300020196648	0	41	-1.0	-44.34	330.71	4.54	-39.80
COC1=CC=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N(C)C2=C1	REAL300020196648	1	41	-1.0	-44.33	330.78	4.55	-39.78
O=C(C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020196649	0	34	-1.0	-50.54	313.39	3.99	-46.55
O=C(C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020196649	1	34	-1.0	-50.53	313.32	3.99	-46.54
COCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020196650	0	36	-1.0	-54.68	313.89	-0.10	-54.78
COCC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020196650	1	36	-1.0	-54.68	313.97	-0.09	-54.77
COCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300020196650	1	35	-2.0	-94.44	310.84	-1.15	-95.59
COCC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300020196650	1	35	-2.0	-94.43	310.91	-1.14	-95.57
NC(=O)CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC=CC=C21	REAL300020196651	0	41	-1.0	-48.63	339.72	1.57	-47.06
NC(=O)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC=CC=C21	REAL300020196651	1	41	-1.0	-48.64	339.79	1.58	-47.06
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020196652	0	33	-1.0	-41.52	296.93	2.83	-38.69
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020196652	1	33	-1.0	-41.53	296.85	2.82	-38.71
O=C(C1=CN(C2CC2(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196653	0	34	-1.0	-45.65	294.99	3.01	-42.64
O=C(C1=CN(C2CC2(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196653	1	34	-1.0	-45.68	294.92	3.00	-42.68
CC(C)(C)OC(=O)N1CCC(C)(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196654	0	56	-1.0	-43.94	404.93	5.69	-38.25
CC(C)(C)OC(=O)N1CCC(C)(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196654	1	56	-1.0	-43.95	405.00	5.71	-38.24
O=C(COCCC1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196655	0	37	-1.0	-45.41	343.97	5.67	-39.74
O=C(COCCC1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196655	1	37	-1.0	-45.39	344.05	5.68	-39.71
CC(C)C1=NC(C2=CC=CC=C2Cl)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196656	0	47	-1.0	-42.19	395.46	7.94	-34.25
CC(C)C1=NC(C2=CC=CC=C2Cl)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196656	1	47	-1.0	-42.17	395.39	7.92	-34.25
CC1=CC=C(C)C(C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)C)=C1	REAL300020196657	0	48	-1.0	-43.83	370.94	7.38	-36.45
CC1=CC=C(C)C(C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)C)=C1	REAL300020196657	1	48	-1.0	-43.84	371.01	7.39	-36.45
O=C(C1=C(C2CCCC2)ON=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196658	0	49	-1.0	-41.23	397.99	8.63	-32.60
O=C(C1=C(C2CCCC2)ON=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196658	1	49	-1.0	-41.22	397.91	8.63	-32.59
O=C(C1=CN=C(C2CCOC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196659	0	37	-1.0	-41.98	315.48	1.78	-40.20
O=C(C1=CN=C(C2CCOC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196659	1	37	-1.0	-41.95	315.55	1.78	-40.17
COC1=CN(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020196660	0	37	-1.0	-48.81	313.56	2.99	-45.82
COC1=CN(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020196660	1	37	-1.0	-48.86	313.64	2.99	-45.87
CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2)C1	REAL300020196661	0	55	-1.0	-44.72	410.71	2.11	-42.61
CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2)C1	REAL300020196661	1	55	-1.0	-44.75	410.78	2.12	-42.63
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196662	0	40	-1.0	-49.78	349.34	4.95	-44.83
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196662	1	40	-1.0	-49.80	349.41	4.95	-44.85
O=C(C1=COC2=C1C(=O)NCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196663	0	35	-1.0	-60.91	290.08	1.78	-59.13
O=C(C1=COC2=C1C(=O)NCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196663	1	35	-1.0	-60.88	290.15	1.79	-59.09
O=C(C1=CC(C2=CC=C(F)C=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196664	0	37	-1.0	-43.58	324.61	6.27	-37.31
O=C(C1=CC(C2=CC=C(F)C=C2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196664	1	37	-1.0	-43.57	324.68	6.29	-37.28
CN1C=CC(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NO2)=N1	REAL300020196665	0	36	-1.0	-44.95	316.73	2.99	-41.96
CN1C=CC(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NO2)=N1	REAL300020196665	1	36	-1.0	-44.93	316.81	3.01	-41.92
O=C(COCCC1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196666	0	37	-1.0	-45.82	326.93	5.06	-40.76
O=C(COCCC1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196666	1	37	-1.0	-45.80	327.01	5.07	-40.73
CC1=CC(Br)=CC(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196667	0	39	-1.0	-43.86	336.10	6.39	-37.47
CC1=CC(Br)=CC(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196667	1	39	-1.0	-43.87	336.17	6.40	-37.47
O=C(C1=CN2C=CC=C(Br)C2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196668	0	33	-1.0	-47.39	304.82	5.47	-41.92
O=C(C1=CN2C=CC=C(Br)C2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196668	1	33	-1.0	-47.35	304.75	5.45	-41.90
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196669	0	44	-1.0	-44.32	345.63	7.52	-36.80
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196669	1	44	-1.0	-44.31	345.71	7.52	-36.79
O=C(C1=C(F)C=C2OC=CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196670	0	33	-1.0	-45.35	287.16	4.12	-41.23
O=C(C1=C(F)C=C2OC=CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196670	1	33	-1.0	-45.34	287.23	4.12	-41.22
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196671	0	49	-1.0	-45.17	393.00	2.26	-42.91
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196671	1	49	-1.0	-45.21	392.93	2.25	-42.96
CCN1N=CC(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196672	0	33	-1.0	-40.59	304.79	3.17	-37.42
CCN1N=CC(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196672	1	33	-1.0	-40.56	304.72	3.16	-37.40
CCN1C=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020196673	0	33	-1.0	-45.62	299.34	3.50	-42.12
CCN1C=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020196673	1	33	-1.0	-45.64	299.27	3.48	-42.16
CC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020196674	0	43	-1.0	-51.95	341.09	2.50	-49.45
CC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020196674	1	43	-1.0	-52.01	341.16	2.51	-49.50
O=C(C1=C(Cl)N(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196675	0	37	-1.0	-44.77	323.77	5.08	-39.69
O=C(C1=C(Cl)N(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196675	1	37	-1.0	-44.75	323.70	5.08	-39.67
O=C(C1=CC=C(C2CCCC(=O)N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196676	0	44	-1.0	-48.41	350.94	3.98	-44.43
O=C(C1=CC=C(C2CCCC(=O)N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196676	1	44	-1.0	-48.35	351.01	3.98	-44.37
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196677	0	43	-1.0	-48.49	365.06	6.43	-42.06
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196677	1	43	-1.0	-48.45	364.99	6.42	-42.03
CC1=C(C)C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N=N1	REAL300020196678	0	40	-1.0	-45.89	321.57	3.88	-42.01
CC1=C(C)C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N=N1	REAL300020196678	1	40	-1.0	-45.88	321.65	3.90	-41.98
O=C(C1CCCNS1(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196679	0	35	-1.0	-51.35	295.30	-1.90	-53.25
O=C(C1CCCNS1(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196679	1	35	-1.0	-51.37	295.37	-1.88	-53.25
CC1OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1C	REAL300020196680	0	41	-1.0	-43.55	323.19	4.67	-38.88
CC1OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1C	REAL300020196680	1	41	-1.0	-43.56	323.26	4.67	-38.89
CN1C=C(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300020196681	0	36	-1.0	-43.40	311.04	3.42	-39.98
CN1C=C(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300020196681	1	36	-1.0	-43.34	311.11	3.42	-39.92
CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196682	0	46	-1.0	-37.95	366.73	2.34	-35.61
CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196682	1	46	-1.0	-37.92	366.80	2.36	-35.56
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(CNC(=O)OC(C)(C)C)=N1	REAL300020196683	0	49	-1.0	-42.45	402.91	2.03	-40.42
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(CNC(=O)OC(C)(C)C)=N1	REAL300020196683	1	49	-1.0	-42.44	402.99	2.04	-40.40
COC1=CC=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CNC2=C1	REAL300020196684	0	41	-1.0	-48.54	342.05	4.12	-44.42
COC1=CC=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CNC2=C1	REAL300020196684	1	41	-1.0	-48.57	342.13	4.12	-44.45
O=C(CCC1=CC=C(Cl)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020196685	0	36	-1.0	-41.87	336.05	6.54	-35.33
O=C(CCC1=CC=C(Cl)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020196685	1	36	-1.0	-41.88	336.12	6.56	-35.32
CC(C)(C)OC(=O)NCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCOC1	REAL300020196686	0	54	-1.0	-48.09	411.20	2.16	-45.93
CC(C)(C)OC(=O)NCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCOC1	REAL300020196686	1	54	-1.0	-48.08	411.27	2.18	-45.90
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196687	0	56	-1.0	-51.84	419.50	6.20	-45.64
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196687	1	56	-1.0	-51.86	419.57	6.20	-45.66
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC(C)(C)C1	REAL300020196688	0	56	-1.0	-49.46	416.24	5.10	-44.36
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC(C)(C)C1	REAL300020196688	1	56	-1.0	-49.50	416.31	5.11	-44.39
CC1CCCC1(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196689	0	53	-1.0	-49.64	388.92	4.73	-44.91
CC1CCCC1(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196689	1	53	-1.0	-49.65	388.99	4.74	-44.91
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=NO1	REAL300020196690	0	45	-1.0	-42.25	377.79	7.12	-35.13
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=NO1	REAL300020196690	1	45	-1.0	-42.24	377.71	7.11	-35.13
CC1=CC=CC=C1C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300020196691	0	49	-1.0	-44.05	372.37	7.96	-36.09
CC1=CC=CC=C1C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020196691	1	49	-1.0	-44.01	372.45	7.98	-36.03
O=C(CCC1=C2CCCCC2=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196692	0	43	-1.0	-43.74	344.77	4.31	-39.43
O=C(CCC1=C2CCCCC2=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196692	1	43	-1.0	-43.77	344.84	4.32	-39.45
O=C(C1=C(F)C2=CC=CN=C2C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196693	0	35	-1.0	-44.87	316.51	4.74	-40.13
O=C(C1=C(F)C2=CC=CN=C2C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196693	1	35	-1.0	-44.87	316.44	4.74	-40.13
O=C(C=CC1=CC=C(C(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196694	0	34	-1.0	-44.10	307.02	4.52	-39.58
O=C(C=CC1=CC=C(C(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196694	1	34	-1.0	-44.09	307.10	4.52	-39.57
O=C(CCC1=CC=C(Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196695	0	35	-1.0	-44.18	313.92	4.23	-39.95
O=C(CCC1=CC=C(Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196695	1	35	-1.0	-44.15	313.85	4.21	-39.94
CC(C)(C)C1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196696	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	REAL300020196696	1	41	-1.0	-42.24	321.49	4.10	-38.14
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196697	0	37	-1.0	-41.98	317.08	4.19	-37.79
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196697	1	37	-1.0	-42.02	317.15	4.20	-37.82
O=C(C=C1CCCC(C(F)(F)F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196698	0	40	-1.0	-41.84	328.04	5.76	-36.08
O=C(C=C1CCCC(C(F)(F)F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196698	1	40	-1.0	-41.89	328.11	5.77	-36.12
O=C(C=C1C2CC3CC(C2)CC1C3)N1CCC(C2=N[N-]N=N2)C1	REAL300020196699	0	45	-1.0	-42.97	331.78	6.59	-36.38
O=C(C=C1C2CC3CC(C2)CC1C3)N1CCC(C2=NN=N[N-]2)C1	REAL300020196699	1	45	-1.0	-42.97	331.86	6.60	-36.37
CC(=CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020196700	0	39	-1.0	-43.77	338.07	6.73	-37.04
CC(=CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020196700	1	39	-1.0	-43.78	338.15	6.73	-37.05
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196701	0	39	-1.0	-44.29	336.95	6.37	-37.92
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196701	1	39	-1.0	-44.32	337.03	6.39	-37.93
CCCCCCCCCC=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196702	0	51	-1.0	-42.64	405.13	8.58	-34.06
CCCCCCCCCC=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196702	1	51	-1.0	-42.65	405.20	8.58	-34.07
CC(C)(C)OC(=O)N1C2C(CCC1C(=O)N1CCC(C3=N[N-]N=N3)C1)C2(F)F	REAL300020196703	0	51	-1.0	-47.49	373.87	6.63	-40.86
CC(C)(C)OC(=O)N1C2C(CCC1C(=O)N1CCC(C3=NN=N[N-]3)C1)C2(F)F	REAL300020196703	1	51	-1.0	-47.53	373.94	6.64	-40.89
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(C1)CO2	REAL300020196704	0	52	-1.0	-44.56	407.22	1.81	-42.75
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(C1)CO2	REAL300020196704	1	52	-1.0	-44.59	407.29	1.81	-42.78
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196705	0	51	-1.0	-49.79	399.13	2.42	-47.37
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196705	1	51	-1.0	-49.79	399.20	2.43	-47.36
CC1=CC(Br)=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196706	0	32	-1.0	-39.62	287.11	4.04	-35.58
CC1=CC(Br)=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196706	1	32	-1.0	-39.64	287.04	4.03	-35.61
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020196707	0	39	-1.0	-41.59	336.18	6.16	-35.43
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020196707	1	39	-1.0	-41.64	336.25	6.17	-35.47
O=C(C1CCCC12CCOCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196708	0	44	-1.0	-43.64	323.26	3.86	-39.78
O=C(C1CCCC12CCOCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196708	1	44	-1.0	-43.66	323.33	3.86	-39.80
COC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020196709	0	36	-1.0	-39.99	314.80	1.39	-38.60
COC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020196709	1	36	-1.0	-40.00	314.73	1.38	-38.62
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196710	0	56	-1.0	-49.26	412.60	4.39	-44.87
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196710	1	56	-1.0	-49.33	412.67	4.40	-44.93
CC(C)(C)OC(=O)N1CCCC(C(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020196711	0	56	-1.0	-43.48	424.10	6.61	-36.87
CC(C)(C)OC(=O)N1CCCC(C(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020196711	1	56	-1.0	-43.45	424.18	6.61	-36.84
CC(C)(C)OC(=O)NCC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCC1	REAL300020196712	0	56	-1.0	-44.47	421.41	5.47	-39.00
CC(C)(C)OC(=O)NCC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCC1	REAL300020196712	1	56	-1.0	-44.46	421.48	5.48	-38.98
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H](C(F)F)C1	REAL300020196713	0	50	-1.0	-47.29	395.46	4.64	-42.65
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H](C(F)F)C1	REAL300020196713	1	50	-1.0	-47.29	395.53	4.65	-42.64
CC(C)(C)OC(=O)NC1CCOC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196714	0	51	-1.0	-46.39	391.46	3.17	-43.22
CC(C)(C)OC(=O)NC1CCOC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196714	1	51	-1.0	-46.39	391.53	3.19	-43.20
CC1=CC=CC=C1N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196715	0	51	-1.0	-45.49	407.29	6.72	-38.77
CC1=CC=CC=C1N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196715	1	51	-1.0	-45.49	407.36	6.72	-38.77
COCCC1=NC(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=NO1	REAL300020196716	0	45	-1.0	-45.07	377.51	2.74	-42.33
COCCC1=NC(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=NO1	REAL300020196716	1	45	-1.0	-45.08	377.44	2.73	-42.35
O=C(C1=CN(CC2CC(=O)C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196717	0	38	-1.0	-49.66	326.29	2.54	-47.12
O=C(C1=CN(CC2CC(=O)C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196717	1	38	-1.0	-49.61	326.22	2.52	-47.09
O=C(C1=CC2=CC=C(Br)C=C2C(=O)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196718	0	36	-1.0	-42.11	332.94	3.64	-38.47
O=C(C1=CC2=CC=C(Br)C=C2C(=O)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196718	1	36	-1.0	-42.08	333.02	3.65	-38.43
CC(C)(C)OC(=O)N1CCN2C=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020196719	0	51	-1.0	-53.17	401.00	5.98	-47.19
CC(C)(C)OC(=O)N1CCN2C=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020196719	1	51	-1.0	-53.15	400.92	5.97	-47.18
CC(C)(C)OC(=O)NC(CC1CCCCO1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196720	0	57	-1.0	-49.02	434.56	4.35	-44.67
CC(C)(C)OC(=O)NC(CC1CCCCO1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196720	1	57	-1.0	-49.06	434.63	4.37	-44.69
O=C(C1=NN2C(=C1)N=CC=C2C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196721	0	35	-1.0	-54.56	313.47	3.77	-50.79
O=C(C1=NN2C(=C1)N=CC=C2C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196721	1	35	-1.0	-54.56	313.54	3.79	-50.77
CC1(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1(F)F	REAL300020196722	0	40	-1.0	-45.67	327.87	6.17	-39.50
CC1(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1(F)F	REAL300020196722	1	40	-1.0	-45.67	327.94	6.18	-39.49
O=C(CC1=CC2=CC=CN=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196723	0	38	-1.0	-48.74	321.93	5.14	-43.60
O=C(CC1=CC2=CC=CN=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196723	1	38	-1.0	-48.71	321.85	5.13	-43.58
O=C(C1=CN=C(C2CCC2)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196724	0	39	-1.0	-52.71	327.99	2.84	-49.87
O=C(C1=CN=C(C2CCC2)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196724	1	39	-1.0	-52.71	328.07	2.85	-49.86
CN1N=C(C2CCC2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196725	0	40	-1.0	-40.79	317.52	3.99	-36.80
CN1N=C(C2CCC2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196725	1	40	-1.0	-40.81	317.59	3.99	-36.82
O=C(C1=CC2=C(C=C(Cl)S2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196726	0	30	-1.0	-39.62	296.46	4.84	-34.78
O=C(C1=CC2=C(C=C(Cl)S2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196726	1	30	-1.0	-39.61	296.53	4.84	-34.77
O=C(C1=CC2=C(CCCC2)N=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020196727	0	39	-1.0	-44.12	326.53	4.82	-39.30
O=C(C1=CC2=C(CCCC2)N=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020196727	1	39	-1.0	-44.11	326.61	4.83	-39.28
COC(=O)C1CC2(C1)CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020196728	0	43	-1.0	-46.15	351.09	5.56	-40.59
COC(=O)C1CC2(C1)CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020196728	1	43	-1.0	-46.16	351.17	5.57	-40.59
O=C(C1=CC=C(C(F)(F)F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196729	0	33	-1.0	-42.18	301.86	4.97	-37.21
O=C(C1=CC=C(C(F)(F)F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196729	1	33	-1.0	-42.13	301.93	4.98	-37.15
O=C(C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196730	0	42	-1.0	-59.22	360.81	5.72	-53.50
O=C(C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196730	1	42	-1.0	-59.19	360.89	5.73	-53.46
CC(=O)NC1=CN=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196731	0	39	-1.0	-49.45	323.38	1.41	-48.04
CC(=O)NC1=CN=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196731	1	39	-1.0	-49.42	323.46	1.42	-48.00
O=C(N1CCC(C2=N[N-]N=N2)C1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL300020196732	0	37	-1.0	-40.92	310.39	5.96	-34.96
O=C(N1CCC(C2=NN=N[N-]2)C1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL300020196732	1	37	-1.0	-40.93	310.47	5.98	-34.95
CC1CCCN2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C12	REAL300020196733	0	43	-1.0	-50.19	343.94	5.30	-44.89
CC1CCCN2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C12	REAL300020196733	1	43	-1.0	-50.19	344.01	5.31	-44.88
CC1=CC(C)=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CN21	REAL300020196734	0	39	-1.0	-57.96	320.39	5.55	-52.41
CC1=CC(C)=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CN21	REAL300020196734	1	39	-1.0	-58.00	320.46	5.55	-52.45
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(Cl)S1	REAL300020196735	0	35	-1.0	-40.35	314.94	4.11	-36.24
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(Cl)S1	REAL300020196735	1	35	-1.0	-40.35	314.87	4.10	-36.25
O=C(CCC1=CC=C2OCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196736	0	42	-1.0	-46.58	352.89	2.80	-43.78
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CC(CCNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196739	0	49	-1.0	-39.54	384.65	2.68	-36.86
CC(CCNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196739	1	49	-1.0	-39.55	384.73	2.70	-36.85
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CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2(CCC2)C1	REAL300020196740	1	54	-1.0	-44.06	408.19	5.50	-38.56
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196741	0	53	-1.0	-51.29	409.21	5.67	-45.62
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196741	1	53	-1.0	-51.30	409.28	5.68	-45.62
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020196742	0	57	-1.0	-49.00	427.15	3.62	-45.38
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020196742	1	57	-1.0	-48.95	427.23	3.64	-45.31
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CC(C)(C)OC(=O)N[C@H]1CC[C@H](OCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020196744	1	57	-1.0	-50.83	442.93	4.62	-46.21
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O=C(N1CCC(C2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020196762	1	50	0.0	-68.18	380.74	7.71	-60.47
CCC1=NN(C)C(CC)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196763	0	42	-1.0	-43.86	337.31	3.94	-39.92
CCC1=NN(C)C(CC)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196763	1	42	-1.0	-43.89	337.38	3.95	-39.94
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CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(CC2=CC=CC=C2)=NO1	REAL300020196767	0	42	-1.0	-40.66	353.85	6.52	-34.14
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(CC2=CC=CC=C2)=NO1	REAL300020196767	1	42	-1.0	-40.68	353.93	6.52	-34.16
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CC1=C(Cl)C2=NC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020196772	0	38	-1.0	-43.27	326.89	5.24	-38.03
CC1=C(Cl)C2=NC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020196772	1	38	-1.0	-43.30	326.96	5.24	-38.06
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O=C(C1CCOC2(CCOCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196774	0	45	-1.0	-44.12	338.56	2.54	-41.58
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O=C(C1=CC2=C(SC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196775	0	30	-1.0	-41.20	279.65	4.18	-37.02
O=C(C1=CC2=C(SC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196775	1	30	-1.0	-41.21	279.72	4.20	-37.01
CCC1=NN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)C2=CC3=C(C=CS3)N21	REAL300020196776	0	45	-1.0	-55.79	390.10	6.70	-49.09
CCC1=NN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)C2=CC3=C(C=CS3)N21	REAL300020196776	1	45	-1.0	-55.76	390.17	6.71	-49.05
COC1=NN2C(=NN=C2CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196777	0	41	-1.0	-48.03	351.60	2.33	-45.70
COC1=NN2C(=NN=C2CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196777	1	41	-1.0	-48.05	351.68	2.35	-45.70
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020196778	0	35	-2.0	-86.14	303.31	4.00	-82.14
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020196778	1	35	-2.0	-86.13	303.39	4.01	-82.12
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196779	0	52	-1.0	-40.14	400.90	3.61	-36.53
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196779	1	52	-1.0	-40.10	400.98	3.62	-36.48
CC(C)(C)OC(=O)N[C@@H](CC1=CC=NC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196780	0	52	-1.0	-37.81	404.64	2.81	-35.00
CC(C)(C)OC(=O)N[C@@H](CC1=CC=NC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196780	1	52	-1.0	-37.84	404.72	2.83	-35.01
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N1C	REAL300020196781	0	40	-1.0	-46.78	333.54	6.16	-40.62
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N1C	REAL300020196781	1	40	-1.0	-46.75	333.61	6.17	-40.58
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300020196782	0	30	-1.0	-35.48	288.05	1.58	-33.90
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300020196782	1	30	-1.0	-35.47	288.13	1.59	-33.88
O=C(C1CC(=O)C2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196783	0	37	-1.0	-44.72	310.11	4.68	-40.04
O=C(C1CC(=O)C2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196783	1	37	-1.0	-44.76	310.18	4.69	-40.07
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Br)S1	REAL300020196784	0	30	-1.0	-40.03	279.61	4.08	-35.95
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Br)S1	REAL300020196784	1	30	-1.0	-40.10	279.68	4.10	-36.00
COC1=CC(C)=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)OC2=C1	REAL300020196785	0	40	-1.0	-41.34	334.57	4.41	-36.93
COC1=CC(C)=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)OC2=C1	REAL300020196785	1	40	-1.0	-41.31	334.64	4.41	-36.90
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CC(C)(C)OC(=O)N1CCC[C@@]1(C)CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196799	0	56	-1.0	-50.49	423.54	6.98	-43.51
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196799	1	56	-1.0	-50.49	423.61	6.99	-43.50
CCC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)CC1=CC=CC=C1	REAL300020196800	0	45	-1.0	-44.79	348.54	7.19	-37.60
CCC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020196800	1	45	-1.0	-44.77	348.61	7.20	-37.57
CC(C)=CCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1O	REAL300020196801	0	44	-1.0	-44.08	352.27	4.29	-39.79
CC(C)=CCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1O	REAL300020196801	1	44	-1.0	-44.07	352.34	4.29	-39.78
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CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(Cl)=C1	REAL300020196804	0	36	-1.0	-46.07	319.66	5.72	-40.35
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(Cl)=C1	REAL300020196804	1	36	-1.0	-46.06	319.73	5.73	-40.33
CC(C)(NC1=CC=CC=N1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196805	0	40	-1.0	-41.76	310.96	2.61	-39.15
CC(C)(NC1=CC=CC=N1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196805	1	40	-1.0	-41.74	311.04	2.61	-39.13
CC1=CC=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=CC=C12	REAL300020196806	0	38	-1.0	-44.83	308.65	5.53	-39.30
CC1=CC=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=CC=C12	REAL300020196806	1	38	-1.0	-44.84	308.58	5.51	-39.33
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O=C(C1=CC2=CC=C(F)C=C2N=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020196808	0	35	-1.0	-44.49	316.20	4.60	-39.89
O=C(C1=CC2=CC=C(F)C=C2N=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020196808	1	35	-1.0	-44.49	316.13	4.60	-39.89
O=C(C1=CC2=CC=C(F)C=C2NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196809	0	36	-1.0	-53.52	317.76	3.08	-50.44
O=C(C1=CC2=CC=C(F)C=C2NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196809	1	36	-1.0	-53.54	317.83	3.08	-50.46
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O=C(CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196810	1	49	-1.0	-47.37	408.31	9.23	-38.14
O=C(C1=CN=CC2=CC=C(F)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020196811	0	35	-1.0	-48.23	299.40	4.25	-43.98
O=C(C1=CN=CC2=CC=C(F)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020196811	1	35	-1.0	-48.22	299.32	4.24	-43.98
COC1=C(Br)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196812	0	34	-1.0	-46.10	307.21	4.39	-41.71
COC1=C(Br)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196812	1	34	-1.0	-46.12	307.29	4.39	-41.73
N#CC1=CNC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300020196813	0	35	-1.0	-43.92	306.81	4.25	-39.67
N#CC1=CNC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020196813	1	35	-1.0	-43.94	306.89	4.27	-39.67
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196814	0	49	-1.0	-45.88	399.74	5.53	-40.35
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196814	1	49	-1.0	-45.89	399.81	5.53	-40.36
CC(C)(C)OC(=O)N1CC(C2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=CO2)C1	REAL300020196815	0	50	-1.0	-47.46	404.91	2.50	-44.96
CC(C)(C)OC(=O)N1CC(C2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=CO2)C1	REAL300020196815	1	50	-1.0	-47.42	404.83	2.50	-44.92
NC1=C2C=CN(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=CC=C1	REAL300020196816	0	39	-1.0	-48.98	328.71	4.10	-44.88
NC1=C2C=CN(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=CC=C1	REAL300020196816	1	39	-1.0	-48.97	328.78	4.11	-44.86
CC(C)(C)OC(=O)C1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196817	0	42	-1.0	-42.44	344.28	3.12	-39.32
CC(C)(C)OC(=O)C1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196817	1	42	-1.0	-42.46	344.36	3.13	-39.33
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=NNN=C2)CCC1	REAL300020196818	0	39	-1.0	-48.98	310.95	1.96	-47.02
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=NNN=C2)CCC1	REAL300020196818	1	39	-1.0	-49.01	311.03	1.97	-47.04
O=C(C1=C(Br)NN=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020196819	0	27	-1.0	-40.19	283.11	1.41	-38.78
O=C(C1=C(Br)NN=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020196819	1	27	-1.0	-40.19	283.19	1.41	-38.78
CCC(=O)N1CSC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196820	0	38	-1.0	-51.03	318.02	4.02	-47.01
CCC(=O)N1CSC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196820	1	38	-1.0	-51.03	318.09	4.03	-47.00
O=C(C1=C(C(F)(F)F)C2=CC(F)=CC=C2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196821	0	38	-1.0	-43.46	331.58	4.87	-38.59
O=C(C1=C(C(F)(F)F)C2=CC(F)=CC=C2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196821	1	38	-1.0	-43.41	331.51	4.87	-38.54
O=C(C1=CC2=C(S1)C(Br)=CS2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196822	0	30	-1.0	-40.40	300.89	4.83	-35.57
O=C(C1=CC2=C(S1)C(Br)=CS2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196822	1	30	-1.0	-40.42	300.96	4.84	-35.58
CC(C)OC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020196823	0	40	-1.0	-47.16	337.37	5.10	-42.06
CC(C)OC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020196823	1	40	-1.0	-47.21	337.44	5.11	-42.10
O=C(CC1=CN=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196824	0	32	-1.0	-45.28	296.98	3.60	-41.68
O=C(CC1=CN=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196824	1	32	-1.0	-45.25	296.90	3.58	-41.67
COC1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)(N(C)C(=O)OC(C)(C)C)C1	REAL300020196825	0	54	-1.0	-52.95	407.48	4.39	-48.56
COC1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)(N(C)C(=O)OC(C)(C)C)C1	REAL300020196825	1	54	-1.0	-52.94	407.56	4.40	-48.54
O=C(C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196826	0	44	-1.0	-45.41	358.54	7.09	-38.32
O=C(C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196826	1	44	-1.0	-45.49	358.61	7.10	-38.39
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1(C)C	REAL300020196827	0	57	-1.0	-47.18	401.81	3.79	-43.39
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1(C)C	REAL300020196827	1	57	-1.0	-47.16	401.89	3.80	-43.36
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC[C@H](O)C1	REAL300020196828	0	51	-1.0	-46.88	388.23	0.69	-46.19
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC[C@H](O)C1	REAL300020196828	1	51	-1.0	-46.85	388.31	0.70	-46.15
CC(C)(C)OC(=O)N1CC(C)(C)CCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196829	0	56	-1.0	-50.79	415.19	6.86	-43.93
CC(C)(C)OC(=O)N1CC(C)(C)CCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196829	1	56	-1.0	-50.82	415.27	6.87	-43.95
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1(C)CC1	REAL300020196830	0	50	-1.0	-40.77	380.07	3.44	-37.33
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1(C)CC1	REAL300020196830	1	50	-1.0	-40.80	380.16	3.46	-37.34
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCC(C3=N[N-]N=N3)C1)CO2	REAL300020196831	0	49	-1.0	-47.54	370.92	2.91	-44.63
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCC(C3=NN=N[N-]3)C1)CO2	REAL300020196831	1	49	-1.0	-47.58	370.99	2.93	-44.65
CC(C)(C)OC(=O)N1CCC2(CCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196832	0	57	-1.0	-51.72	421.77	7.17	-44.55
CC(C)(C)OC(=O)N1CCC2(CCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196832	1	57	-1.0	-51.76	421.84	7.18	-44.58
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196833	0	50	-1.0	-44.67	384.76	3.38	-41.29
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196833	1	50	-1.0	-44.70	384.83	3.39	-41.31
O=C(C1CCCCN1CC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196834	0	48	-1.0	-47.53	378.26	5.57	-41.96
O=C(C1CCCCN1CC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196834	1	48	-1.0	-47.52	378.34	5.58	-41.94
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CC1=CC(F)=CC=C1C(O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196841	0	37	-1.0	-41.99	300.66	2.81	-39.18
CC1=CC(F)=CC=C1C(O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196841	1	37	-1.0	-41.99	300.74	2.82	-39.17
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196842	0	47	-1.0	-37.53	366.90	-0.79	-38.32
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196842	1	47	-1.0	-37.60	366.98	-0.79	-38.39
CC(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N1	REAL300020196843	0	39	-1.0	-54.35	335.49	4.42	-49.93
CC(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N1	REAL300020196843	1	39	-1.0	-54.41	335.56	4.44	-49.97
CC(C)(C)OC(=O)N1CC2=CNN=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196844	0	51	-1.0	-56.60	403.05	3.38	-53.22
CC(C)(C)OC(=O)N1CC2=CNN=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196844	1	51	-1.0	-56.60	403.12	3.40	-53.20
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196845	0	54	-1.0	-53.52	407.22	4.33	-49.19
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196845	1	54	-1.0	-53.55	407.30	4.34	-49.21
CC(C)(C)OC(=O)NC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)CC1CCCC1	REAL300020196846	0	59	-1.0	-48.46	440.34	5.79	-42.67
CC(C)(C)OC(=O)NC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)CC1CCCC1	REAL300020196846	1	59	-1.0	-48.46	440.41	5.81	-42.65
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196847	0	59	-1.0	-41.58	442.94	3.26	-38.32
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196847	1	59	-1.0	-41.57	443.02	3.26	-38.31
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1C(F)(F)F	REAL300020196848	0	33	-1.0	-41.52	310.77	3.31	-38.21
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1C(F)(F)F	REAL300020196848	1	33	-1.0	-41.49	310.70	3.30	-38.19
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1Br	REAL300020196849	0	33	-1.0	-46.03	298.53	4.95	-41.08
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1Br	REAL300020196849	1	33	-1.0	-46.02	298.60	4.95	-41.07
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CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196851	1	50	-1.0	-44.45	384.79	4.86	-39.59
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020196852	0	56	-1.0	-39.99	415.45	4.96	-35.03
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020196852	1	56	-1.0	-40.01	415.52	4.97	-35.04
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196853	0	51	-1.0	-51.75	387.44	5.55	-46.20
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196853	1	51	-1.0	-51.80	387.51	5.56	-46.24
C=CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020196854	0	57	-1.0	-45.56	415.09	5.81	-39.75
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CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196855	0	53	-1.0	-49.07	402.45	5.38	-43.69
CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196855	1	53	-1.0	-49.10	402.52	5.39	-43.71
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N#CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC12CCOCC2	REAL300020196858	0	39	-1.0	-39.95	312.98	2.98	-36.97
N#CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC12CCOCC2	REAL300020196858	1	39	-1.0	-39.94	313.05	2.99	-36.95
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C=CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCN(C(=O)OC(C)(C)C)C1	REAL300020196860	0	57	-1.0	-54.85	419.26	6.36	-48.49
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C=CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020196861	0	54	-1.0	-49.60	410.00	5.26	-44.34
C=CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020196861	1	54	-1.0	-49.56	410.07	5.27	-44.29
CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196862	0	48	-1.0	-50.21	375.87	1.48	-48.73
CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196862	1	48	-1.0	-50.18	375.95	1.50	-48.68
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C[C@@H]2CCCC[C@@H]21	REAL300020196863	0	57	-1.0	-49.97	412.92	6.61	-43.36
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C[C@@H]2CCCC[C@@H]21	REAL300020196863	1	57	-1.0	-49.96	412.99	6.61	-43.35
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020196864	0	39	-1.0	-41.72	335.22	2.66	-39.06
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020196864	1	39	-1.0	-41.75	335.14	2.65	-39.10
COC1=CC=C(C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2CCCCC2)C=C1	REAL300020196865	0	53	-1.0	-44.40	406.40	7.48	-36.92
COC1=CC=C(C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2CCCCC2)C=C1	REAL300020196865	1	53	-1.0	-44.38	406.48	7.49	-36.89
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C2C=C1	REAL300020196866	0	39	-1.0	-55.71	329.86	3.76	-51.95
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NC=CC=C2C=C1	REAL300020196866	1	39	-1.0	-55.70	329.79	3.75	-51.95
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CC2(CCC2)C1	REAL300020196867	0	40	-1.0	-41.36	318.95	5.12	-36.24
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CC2(CCC2)C1	REAL300020196867	1	40	-1.0	-41.38	319.03	5.13	-36.25
COCC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020196868	0	44	-1.0	-41.42	332.00	2.07	-39.35
COCC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020196868	1	44	-1.0	-41.42	332.07	2.09	-39.33
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CCC(O)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020196871	0	40	-1.0	-42.72	314.80	3.36	-39.36
CCC(O)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020196871	1	40	-1.0	-42.78	314.88	3.37	-39.41
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CC1=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=NN2C(C(F)F)=C1	REAL300020196874	0	38	-1.0	-59.36	330.23	3.98	-55.38
CC1=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=NN2C(C(F)F)=C1	REAL300020196874	1	38	-1.0	-59.37	330.31	4.00	-55.37
O=C(C1=CC=CC=C1)N1[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C[C@@H]2CCCC[C@@H]21	REAL300020196875	0	54	-1.0	-50.10	391.99	7.02	-43.08
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O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196876	0	45	-1.0	-53.11	356.28	5.65	-47.46
O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196876	1	45	-1.0	-53.10	356.36	5.67	-47.43
CCC(C)C(=O)N1CSC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196877	0	44	-1.0	-50.48	352.31	5.08	-45.40
CCC(C)C(=O)N1CSC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196877	1	44	-1.0	-50.46	352.39	5.09	-45.37
O=C(C1=CNC2=CC=CC=C12)N1CSC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196878	0	46	-1.0	-63.50	382.40	5.82	-57.68
O=C(C1=CNC2=CC=CC=C12)N1CSC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196878	1	46	-1.0	-63.51	382.47	5.82	-57.69
O=C(C1=CC2=C(C=C1Cl)OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196879	0	33	-1.0	-41.71	294.50	2.87	-38.84
O=C(C1=CC2=C(C=C1Cl)OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196879	1	33	-1.0	-41.73	294.58	2.89	-38.84
O=C(C1=CN=CC2=C(C(F)(F)F)C=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020196880	0	38	-1.0	-41.10	326.97	4.98	-36.12
O=C(C1=CN=CC2=C(C(F)(F)F)C=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020196880	1	38	-1.0	-41.10	326.89	4.97	-36.13
CCCN1C(=O)CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H]1C1=CN=CN1C	REAL300020196881	0	53	-1.0	-49.44	403.25	6.32	-43.12
CCCN1C(=O)CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H]1C1=CN=CN1C	REAL300020196881	1	53	-1.0	-49.47	403.32	6.33	-43.14
CC(C)(C)OC(=O)N1CC2(C1)SCCC2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196882	0	52	-1.0	-47.46	411.87	5.45	-42.01
CC(C)(C)OC(=O)N1CC2(C1)SCCC2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196882	1	52	-1.0	-47.47	411.94	5.46	-42.01
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC=C2)[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196883	0	54	-1.0	-51.51	422.65	7.29	-44.22
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC=C2)[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196883	1	54	-1.0	-51.52	422.73	7.31	-44.21
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C2CCCCN21	REAL300020196884	0	46	-1.0	-47.02	349.60	6.04	-40.98
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C2CCCCN21	REAL300020196884	1	46	-1.0	-47.02	349.68	6.05	-40.97
CC1=CC(C2CCC2)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196885	0	42	-1.0	-41.39	333.37	5.04	-36.35
CC1=CC(C2CCC2)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196885	1	42	-1.0	-41.41	333.44	5.06	-36.35
CC(C)[C@@H]1C[C@H](CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020196886	0	49	-1.0	-42.27	375.51	8.13	-34.14
CC(C)[C@@H]1C[C@H](CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020196886	1	49	-1.0	-42.32	375.58	8.15	-34.17
CC(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2S1	REAL300020196887	0	38	-1.0	-52.48	339.47	5.84	-46.64
CC(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2S1	REAL300020196887	1	38	-1.0	-52.43	339.54	5.85	-46.58
O=C(C1=CC=CC=C1)N1CSC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196888	0	42	-1.0	-51.31	348.29	5.91	-45.40
O=C(C1=CC=CC=C1)N1CSC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196888	1	42	-1.0	-51.34	348.36	5.92	-45.42
COC1=CC=CC2=C1CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)CO2	REAL300020196889	0	42	-1.0	-39.19	338.06	3.81	-35.38
COC1=CC=CC2=C1CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)CO2	REAL300020196889	1	42	-1.0	-39.17	338.13	3.81	-35.36
O=C(C1=CC2=C(Br)C=CC(Cl)=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196890	0	34	-1.0	-40.71	322.06	5.20	-35.51
O=C(C1=CC2=C(Br)C=CC(Cl)=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196890	1	34	-1.0	-40.73	322.13	5.21	-35.52
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=CC=C1F	REAL300020196891	0	37	-1.0	-41.98	310.37	4.77	-37.21
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=CC=C1F	REAL300020196891	1	37	-1.0	-41.98	310.45	4.78	-37.20
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=CC=C1Cl	REAL300020196892	0	37	-1.0	-41.47	319.07	5.17	-36.30
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=CC=C1Cl	REAL300020196892	1	37	-1.0	-41.51	319.14	5.18	-36.33
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(COC2=CC=CC=C2)=N1	REAL300020196893	0	43	-1.0	-42.71	366.30	4.83	-37.88
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(COC2=CC=CC=C2)=N1	REAL300020196893	1	43	-1.0	-42.71	366.37	4.85	-37.86
CC1=CC=C(Br)C(F)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196894	0	33	-1.0	-45.54	306.19	5.10	-40.44
CC1=CC=C(Br)C(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196894	1	33	-1.0	-45.53	306.26	5.10	-40.43
O=C(C1=NN2CCNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196895	0	35	-1.0	-50.64	297.82	-0.43	-51.07
O=C(C1=NN2CCNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196895	1	35	-1.0	-50.66	297.75	-0.43	-51.09
CC1=CC2=NC=CN=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196896	0	37	-1.0	-44.64	308.43	2.75	-41.89
CC1=CC2=NC=CN=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196896	1	37	-1.0	-44.64	308.52	2.77	-41.87
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196897	0	41	-1.0	-40.83	348.26	4.90	-35.93
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196897	1	41	-1.0	-40.83	348.34	4.91	-35.92
CC1=CC=C(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2=O)C=C1	REAL300020196898	0	44	-1.0	-41.68	363.23	5.51	-36.17
CC1=CC=C(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2=O)C=C1	REAL300020196898	1	44	-1.0	-41.74	363.30	5.53	-36.21
O=C(C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196899	0	39	-1.0	-41.11	338.86	5.90	-35.21
O=C(C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196899	1	39	-1.0	-41.08	338.78	5.90	-35.18
O=C(C1CCC2C(CC1)C2(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196900	0	40	-1.0	-36.53	315.90	5.43	-31.10
O=C(C1CCC2C(CC1)C2(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196900	1	40	-1.0	-36.57	315.98	5.45	-31.12
CCOC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC=CC1	REAL300020196901	0	40	-1.0	-40.32	321.84	4.63	-35.69
CCOC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC=CC1	REAL300020196901	1	40	-1.0	-40.25	321.91	4.65	-35.60
COCCOCCN1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020196902	0	44	-1.0	-46.17	369.19	2.14	-44.03
COCCOCCN1C=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020196902	1	44	-1.0	-46.12	369.12	2.13	-43.99
COCCOCCN1N=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196903	0	44	-1.0	-45.93	361.00	1.60	-44.33
COCCOCCN1N=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196903	1	44	-1.0	-45.90	360.92	1.58	-44.32
O=C(C1=CC=C(CCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196904	0	46	-1.0	-44.65	374.20	8.81	-35.84
O=C(C1=CC=C(CCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196904	1	46	-1.0	-44.64	374.28	8.83	-35.81
O=C(C1=C2CCCC2=NNC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196905	0	36	-1.0	-52.09	303.31	1.27	-50.82
O=C(C1=C2CCCC2=NNC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196905	1	36	-1.0	-52.07	303.38	1.28	-50.79
O=C(C1=NN(CCC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196906	0	36	-1.0	-45.90	319.68	3.99	-41.91
O=C(C1=NN(CCC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196906	1	36	-1.0	-45.93	319.61	3.99	-41.94
O=C(C1=CC=C(C(F)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196907	0	36	-1.0	-43.74	314.20	5.34	-38.40
O=C(C1=CC=C(C(F)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196907	1	36	-1.0	-43.71	314.28	5.35	-38.36
O=C(C1=CC=C(C2=CSC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196908	0	36	-1.0	-45.30	312.54	4.38	-40.92
O=C(C1=CC=C(C2=CSC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196908	1	36	-1.0	-45.28	312.47	4.36	-40.92
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196909	0	44	-1.0	-46.41	345.50	6.16	-40.25
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196909	1	44	-1.0	-46.41	345.57	6.17	-40.24
O=C(C(CC1CCCCC1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196910	0	52	-1.0	-42.92	394.24	8.81	-34.11
O=C(C(CC1CCCCC1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196910	1	52	-1.0	-42.93	394.32	8.81	-34.12
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)C1=CC=CC=C1Cl	REAL300020196911	0	42	-1.0	-44.71	348.12	6.67	-38.04
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)C1=CC=CC=C1Cl	REAL300020196911	1	42	-1.0	-44.70	348.19	6.69	-38.01
O=C(C1=CC=C(CC2CCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196912	0	43	-1.0	-43.62	341.16	7.08	-36.54
O=C(C1=CC=C(CC2CCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196912	1	43	-1.0	-43.63	341.23	7.09	-36.54
O=C(C1=CC=C(F)C(OC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196913	0	34	-1.0	-38.87	298.99	3.33	-35.54
O=C(C1=CC=C(F)C(OC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196913	1	34	-1.0	-38.92	299.06	3.35	-35.57
CN(C)C1=NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020196914	0	40	-1.0	-44.93	329.80	2.12	-42.81
CN(C)C1=NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020196914	1	40	-1.0	-44.95	329.73	2.11	-42.84
CS(=N)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196915	0	37	-1.0	-55.35	315.15	0.23	-55.12
CS(=N)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196915	1	37	-1.0	-55.36	315.22	0.24	-55.12
C=CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)CCO1	REAL300020196916	0	55	-1.0	-48.33	410.36	5.02	-43.31
C=CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)CCO1	REAL300020196916	1	55	-1.0	-48.32	410.43	5.02	-43.30
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196917	0	48	0.0	-68.34	335.49	5.06	-63.28
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196917	1	48	0.0	-73.66	331.81	4.55	-69.11
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196917	1	48	0.0	-68.38	335.57	5.06	-63.32
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196917	1	48	0.0	-73.67	331.88	4.57	-69.10
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C(F)C=C1F	REAL300020196918	0	33	-1.0	-39.36	297.98	4.74	-34.62
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C(F)C=C1F	REAL300020196918	1	33	-1.0	-39.37	298.06	4.76	-34.61
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020196919	0	47	-1.0	-47.08	385.99	3.23	-43.85
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020196919	1	47	-1.0	-47.03	386.06	3.24	-43.79
O=C(C(O)C1=CC=C(Cl)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196920	0	34	-1.0	-41.55	316.08	3.47	-38.08
O=C(C(O)C1=CC=C(Cl)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196920	1	34	-1.0	-41.57	316.15	3.48	-38.09
CC1=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C	REAL300020196921	0	33	-1.0	-46.17	296.55	3.08	-43.09
CC1=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C	REAL300020196921	1	33	-1.0	-46.18	296.63	3.08	-43.10
O=C(C1=CC=C(F)C(C(F)(F)F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196922	0	33	-1.0	-45.08	301.07	4.77	-40.31
O=C(C1=CC=C(F)C(C(F)(F)F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196922	1	33	-1.0	-45.12	301.14	4.77	-40.35
CC(=O)NCC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020196923	0	49	-1.0	-46.17	364.23	3.82	-42.35
CC(=O)NCC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020196923	1	49	-1.0	-46.15	364.31	3.83	-42.32
CC1(C)CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(C)(C)O1	REAL300020196924	0	46	-1.0	-41.97	347.24	4.45	-37.52
CC1(C)CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(C)(C)O1	REAL300020196924	1	46	-1.0	-41.97	347.31	4.46	-37.51
O=C(C1=CC=NC(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196925	0	29	-1.0	-44.15	275.64	2.54	-41.61
O=C(C1=CC=NC(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196925	1	29	-1.0	-44.15	275.56	2.54	-41.61
CC1=C(I)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C	REAL300020196926	0	33	-1.0	-45.23	302.06	3.53	-41.70
CC1=C(I)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C	REAL300020196926	1	33	-1.0	-45.23	302.13	3.54	-41.69
O=C(C1=C2C=C(Br)C=CC2=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196927	0	32	-1.0	-42.99	302.67	4.30	-38.69
O=C(C1=C2C=C(Br)C=CC2=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196927	1	32	-1.0	-42.98	302.60	4.30	-38.68
O=C(C1=C(C(F)F)N=C(C2CC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196928	0	36	-1.0	-43.39	315.03	2.11	-41.28
O=C(C1=C(C(F)F)N=C(C2CC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196928	1	36	-1.0	-43.42	315.10	2.13	-41.29
O=C(CCOC1=C(F)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020196929	0	37	-1.0	-45.38	336.80	5.16	-40.22
O=C(CCOC1=C(F)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020196929	1	37	-1.0	-45.38	336.87	5.17	-40.21
CS(C)(=O)=NC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020196930	0	36	-1.0	-59.69	323.20	0.73	-58.96
CS(C)(=O)=NC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020196930	1	36	-1.0	-59.72	323.28	0.75	-58.97
O=C(OCC1=CC=CC=C1)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196931	0	45	-1.0	-55.49	381.32	5.36	-50.13
O=C(OCC1=CC=CC=C1)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196931	1	45	-1.0	-55.49	381.39	5.37	-50.12
CC(C)CC(=O)N1CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196932	0	49	-1.0	-53.98	369.65	6.30	-47.68
CC(C)CC(=O)N1CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196932	1	49	-1.0	-53.95	369.73	6.32	-47.63
O=C(N1CCC(C2=N[N-]N=N2)C1)C12OC3C4COCC3C1C42	REAL300020196933	0	38	-1.0	-43.11	299.76	2.11	-41.00
O=C(N1CCC(C2=NN=N[N-]2)C1)C12OC3C4COCC3C1C42	REAL300020196933	1	38	-1.0	-43.13	299.84	2.11	-41.02
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CCC(CC(=O)C1)S2(=O)=O	REAL300020196934	0	39	-1.0	-47.30	311.17	0.24	-47.06
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CCC(CC(=O)C1)S2(=O)=O	REAL300020196934	1	39	-1.0	-47.32	311.25	0.26	-47.06
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2CCCO2)CCOCC1	REAL300020196935	0	45	-1.0	-47.11	321.24	2.34	-44.77
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2CCCO2)CCOCC1	REAL300020196935	1	45	-1.0	-47.08	321.32	2.36	-44.72
O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196936	0	47	-1.0	-43.39	348.86	7.70	-35.69
O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196936	1	47	-1.0	-43.45	348.94	7.70	-35.75
O=C(CC1=CC(O)=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196937	0	34	-1.0	-46.43	313.05	2.52	-43.91
O=C(CC1=CC(O)=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196937	1	34	-1.0	-46.44	313.13	2.54	-43.90
O=C(CCCCC1=CC=CC(O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196938	0	43	-1.0	-45.34	356.15	4.28	-41.06
O=C(CCCCC1=CC=CC(O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196938	1	43	-1.0	-45.30	356.22	4.30	-41.00
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020196939	0	51	-1.0	-50.36	405.96	4.64	-45.72
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020196939	1	51	-1.0	-50.32	406.03	4.64	-45.68
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(O)C1	REAL300020196940	0	48	-1.0	-50.32	377.10	0.05	-50.27
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(O)C1	REAL300020196940	1	48	-1.0	-50.33	377.18	0.05	-50.28
O=C(C1=C(F)C=C(Br)C(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196941	0	30	-1.0	-41.66	299.23	4.68	-36.98
O=C(C1=C(F)C=C(Br)C(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196941	1	30	-1.0	-41.63	299.30	4.69	-36.94
CC(C)(C)OC(=O)N1CSCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196942	0	48	-1.0	-49.23	379.51	5.25	-43.98
CC(C)(C)OC(=O)N1CSCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196942	1	48	-1.0	-49.26	379.59	5.26	-44.00
O=C(C=CCCCCCCCO)N1CCC(C2=N[N-]N=N2)C1	REAL300020196943	0	46	-1.0	-45.42	373.55	3.68	-41.74
O=C(C=CCCCCCCCO)N1CCC(C2=NN=N[N-]2)C1	REAL300020196943	1	46	-1.0	-45.42	373.63	3.69	-41.73
COC(=O)[C@@H]1[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1(F)F	REAL300020196944	0	33	-1.0	-41.33	298.61	3.38	-37.95
COC(=O)[C@@H]1[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1(F)F	REAL300020196944	1	33	-1.0	-41.32	298.68	3.38	-37.94
CC(C)(C)OC(=O)N1CC2=NNC=C2C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196945	0	48	-1.0	-53.18	384.86	2.81	-50.37
CC(C)(C)OC(=O)N1CC2=NNC=C2C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196945	1	48	-1.0	-53.15	384.94	2.82	-50.33
O=C(C1=CN2N=C(Br)N=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196946	0	32	-1.0	-42.70	304.03	4.15	-38.55
O=C(C1=CN2N=C(Br)N=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196946	1	32	-1.0	-42.73	303.96	4.15	-38.58
COC1(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)COC1	REAL300020196947	0	42	-1.0	-45.15	330.09	2.99	-42.16
COC1(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)COC1	REAL300020196947	1	42	-1.0	-45.08	330.17	3.00	-42.08
O=C(C1=NN(C2=CC=CC=C2)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020196948	0	37	-1.0	-44.60	333.69	5.99	-38.61
O=C(C1=NN(C2=CC=CC=C2)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020196948	1	37	-1.0	-44.56	333.61	5.99	-38.57
O=C(CN1CC(C(F)(F)F)CCC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196949	0	40	-1.0	-47.88	338.74	3.92	-43.96
O=C(CN1CC(C(F)(F)F)CCC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196949	1	40	-1.0	-47.90	338.82	3.93	-43.97
O=C(C1=CC2=C(C=C(Br)S2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196950	0	30	-1.0	-39.53	301.09	4.95	-34.58
O=C(C1=CC2=C(C=C(Br)S2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196950	1	30	-1.0	-39.57	301.17	4.95	-34.62
CCC1=NC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020196951	0	34	-1.0	-39.92	300.81	3.60	-36.32
CCC1=NC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020196951	1	34	-1.0	-39.92	300.88	3.60	-36.32
O=C(C=CC1=CC(Cl)=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020196952	0	34	-1.0	-43.46	324.89	6.27	-37.19
O=C(C=CC1=CC(Cl)=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020196952	1	34	-1.0	-43.47	324.96	6.27	-37.20
CC1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N2)S1	REAL300020196953	0	34	-1.0	-42.72	296.31	3.96	-38.76
CC1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N2)S1	REAL300020196953	1	34	-1.0	-42.72	296.39	3.97	-38.75
O=C(C1=CC2=C(SC(Br)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196954	0	30	-1.0	-39.34	301.30	4.91	-34.43
O=C(C1=CC2=C(SC(Br)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196954	1	30	-1.0	-39.36	301.37	4.93	-34.43
O=C(C1=C(Br)C=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020196955	0	34	-1.0	-45.09	318.83	4.07	-41.02
O=C(C1=C(Br)C=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020196955	1	34	-1.0	-45.08	318.91	4.07	-41.01
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL300020196956	0	37	-1.0	-51.17	325.30	6.20	-44.97
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL300020196956	1	37	-1.0	-51.17	325.38	6.20	-44.97
O=C(C1=CC=C(NS(=O)(=O)C2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196957	0	42	-1.0	-50.89	350.31	1.53	-49.36
O=C(C1=CC=C(NS(=O)(=O)C2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196957	1	42	-1.0	-50.89	350.38	1.54	-49.35
O=C(C1=CC=CC(NS(=O)(=O)C2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196958	0	42	-1.0	-46.95	354.33	2.06	-44.89
O=C(C1=CC=CC(NS(=O)(=O)C2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196958	1	42	-1.0	-46.99	354.41	2.07	-44.92
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196959	0	44	-1.0	-47.00	364.94	1.93	-45.07
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196959	1	44	-1.0	-47.02	365.02	1.95	-45.07
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2CCCO2)CCCC1	REAL300020196960	0	44	-1.0	-45.53	313.72	4.12	-41.41
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2CCCO2)CCCC1	REAL300020196960	1	44	-1.0	-45.54	313.79	4.12	-41.42
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020196961	0	46	-1.0	-52.48	363.04	4.17	-48.31
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020196961	1	46	-1.0	-52.43	363.11	4.18	-48.25
CC1=CC(F)=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196962	0	33	-1.0	-39.30	299.24	4.98	-34.32
CC1=CC(F)=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196962	1	33	-1.0	-39.34	299.31	4.98	-34.36
CC1=CC(F)=CC=C1C(NCC(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196963	0	44	-1.0	-42.90	364.07	3.92	-38.98
CC1=CC(F)=CC=C1C(NCC(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196963	1	44	-1.0	-42.91	364.15	3.94	-38.97
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H](C2CC2)C1	REAL300020196964	0	54	-1.0	-45.42	419.36	5.99	-39.43
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H](C2CC2)C1	REAL300020196964	1	54	-1.0	-45.43	419.44	6.00	-39.43
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CC=CCO1	REAL300020196965	0	35	-1.0	-38.91	285.51	3.04	-35.87
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CC=CCO1	REAL300020196965	1	35	-1.0	-38.92	285.58	3.04	-35.88
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCC(C3=N[N-]N=N3)C1)CCC2	REAL300020196966	0	54	-1.0	-49.83	392.91	6.44	-43.39
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCC(C3=NN=N[N-]3)C1)CCC2	REAL300020196966	1	54	-1.0	-49.82	392.99	6.45	-43.37
CC1=C(C(NC(=O)OC(C)(C)C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C	REAL300020196967	0	53	-1.0	-46.28	421.04	2.73	-43.55
CC1=C(C(NC(=O)OC(C)(C)C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C	REAL300020196967	1	53	-1.0	-46.28	421.11	2.74	-43.54
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196968	0	54	-1.0	-47.37	416.31	3.94	-43.43
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196968	1	54	-1.0	-47.38	416.38	3.95	-43.43
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196969	0	51	-1.0	-41.85	392.69	8.17	-33.68
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196969	1	51	-1.0	-41.82	392.76	8.19	-33.63
O=C(C1CNC(=O)CC12CCOC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196970	0	42	-1.0	-52.63	318.40	-0.31	-52.94
O=C(C1CNC(=O)CC12CCOC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196970	1	42	-1.0	-52.69	318.48	-0.29	-52.98
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=CC=C(Cl)C=C1	REAL300020196971	0	40	-1.0	-44.68	348.51	5.72	-38.96
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=CC=C(Cl)C=C1	REAL300020196971	1	40	-1.0	-44.71	348.44	5.71	-39.00
O=C(C1=CC=C2SCCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196972	0	38	-1.0	-43.58	312.60	5.75	-37.83
O=C(C1=CC=C2SCCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196972	1	38	-1.0	-43.61	312.67	5.76	-37.85
O=C(C1=CC=C2SCCCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196973	0	41	-1.0	-42.96	329.63	6.32	-36.64
O=C(C1=CC=C2SCCCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196973	1	41	-1.0	-43.01	329.70	6.34	-36.67
COC(=O)CCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196974	0	42	-1.0	-47.10	348.39	5.81	-41.29
COC(=O)CCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196974	1	42	-1.0	-47.08	348.47	5.82	-41.26
CC(C)=CCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020196975	0	43	-1.0	-42.21	350.32	7.01	-35.20
CC(C)=CCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020196975	1	43	-1.0	-42.26	350.39	7.02	-35.24
O=C(CC1=C(Br)N2C=CC=CC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196976	0	36	-1.0	-51.21	328.25	5.66	-45.55
O=C(CC1=C(Br)N2C=CC=CC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196976	1	36	-1.0	-51.25	328.33	5.67	-45.58
O=C(C1=CC2=C(C=C(Cl)S2)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196977	0	31	-1.0	-40.44	291.51	3.77	-36.67
O=C(C1=CC2=C(C=C(Cl)S2)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196977	1	31	-1.0	-40.41	291.58	3.78	-36.63
O=C(C1=C(F)C=CC(F)=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020196978	0	30	-1.0	-44.37	291.84	4.53	-39.84
O=C(C1=C(F)C=CC(F)=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020196978	1	30	-1.0	-44.37	291.91	4.53	-39.84
O=C(C1=CC=NC(C2=CC=CN=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196979	0	37	-1.0	-43.68	316.99	3.88	-39.80
O=C(C1=CC=NC(C2=CC=CN=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196979	1	37	-1.0	-43.70	316.92	3.86	-39.84
O=C(CC1=CC2=CC=CC=C2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196980	0	38	-1.0	-48.83	321.98	5.13	-43.70
O=C(CC1=CC2=CC=CC=C2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196980	1	38	-1.0	-48.90	321.91	5.13	-43.77
CC1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N2CC(F)(F)F)S1	REAL300020196981	0	40	-1.0	-43.20	353.43	6.36	-36.84
CC1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N2CC(F)(F)F)S1	REAL300020196981	1	40	-1.0	-43.23	353.50	6.39	-36.84
COC1(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020196982	0	41	-1.0	-39.05	318.38	2.63	-36.42
COC1(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020196982	1	41	-1.0	-39.05	318.46	2.64	-36.41
CC(C)(C)C1=NN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020196983	0	40	-1.0	-50.32	334.86	2.38	-47.94
CC(C)(C)C1=NN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020196983	1	40	-1.0	-50.32	334.78	2.36	-47.96
O=C(C1=CC2=C(C=CS2)N1CC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196984	0	41	-1.0	-42.13	344.80	6.74	-35.39
O=C(C1=CC2=C(C=CS2)N1CC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196984	1	41	-1.0	-42.17	344.87	6.75	-35.42
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196985	0	40	-1.0	-45.18	340.86	7.49	-37.69
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196985	1	40	-1.0	-45.21	340.93	7.49	-37.72
O=C(C1=NN(C2CC2(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196986	0	34	-1.0	-49.41	301.59	3.72	-45.69
O=C(C1=NN(C2CC2(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196986	1	34	-1.0	-49.40	301.52	3.71	-45.69
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020196987	0	54	-1.0	-45.28	414.81	7.93	-37.35
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020196987	1	54	-1.0	-45.32	414.88	7.95	-37.37
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CO1	REAL300020196988	0	47	-1.0	-47.98	377.90	2.26	-45.72
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CO1	REAL300020196988	1	47	-1.0	-47.98	377.97	2.27	-45.71
O=C(C1=CC2=C(C=C(Br)S2)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196989	0	31	-1.0	-40.41	296.14	3.88	-36.53
O=C(C1=CC2=C(C=C(Br)S2)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196989	1	31	-1.0	-40.40	296.21	3.89	-36.51
COC1=NC=CC(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196990	0	33	-1.0	-45.14	306.89	1.22	-43.92
COC1=NC=CC(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196990	1	33	-1.0	-45.15	306.82	1.21	-43.94
O=C(C1C2CC1(C1=CC=C(F)C=C1)CC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196991	0	44	-1.0	-44.18	347.99	7.50	-36.68
O=C(C1C2CC1(C1=CC=C(F)C=C1)CC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196991	1	44	-1.0	-44.19	348.06	7.50	-36.69
CCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020196992	0	36	-1.0	-41.14	309.00	5.43	-35.71
CCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020196992	1	36	-1.0	-41.16	309.07	5.44	-35.72
CC(C)(C)OC(=O)N1CC2(CCC2)CC1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196993	0	57	-1.0	-44.90	435.60	6.67	-38.23
CC(C)(C)OC(=O)N1CC2(CCC2)CC1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196993	1	57	-1.0	-44.84	435.68	6.68	-38.16
CCCC1=C(Br)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020196994	0	36	-1.0	-40.94	326.48	5.63	-35.31
CCCC1=C(Br)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020196994	1	36	-1.0	-40.94	326.56	5.65	-35.29
CSC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020196995	0	34	-1.0	-41.58	309.33	5.11	-36.47
CSC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020196995	1	34	-1.0	-41.61	309.40	5.13	-36.48
O=C(C1=CC2=C(N1)C(Br)=CS2)N1CCC(C2=N[N-]N=N2)C1	REAL300020196996	0	31	-1.0	-40.62	295.92	3.76	-36.86
O=C(C1=CC2=C(N1)C(Br)=CS2)N1CCC(C2=NN=N[N-]2)C1	REAL300020196996	1	31	-1.0	-40.61	296.00	3.77	-36.84
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC(Br)=C1F	REAL300020196997	0	34	-1.0	-44.77	313.58	4.40	-40.37
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC(Br)=C1F	REAL300020196997	1	34	-1.0	-44.74	313.65	4.41	-40.33
O=C(C1=CC(=O)NC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020196998	0	40	-1.0	-45.74	339.79	4.41	-41.33
O=C(C1=CC(=O)NC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020196998	1	40	-1.0	-45.72	339.72	4.41	-41.31
O=C(C1=COC2=CC(F)=CC(F)=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020196999	0	33	-1.0	-47.89	288.62	4.18	-43.71
O=C(C1=COC2=CC(F)=CC(F)=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020196999	1	33	-1.0	-47.90	288.69	4.21	-43.69
CCN1C=C(OC2=CN=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C=N1	REAL300020197000	0	42	-1.0	-45.47	354.77	2.46	-43.01
CCN1C=C(OC2=CN=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C=N1	REAL300020197000	1	42	-1.0	-45.50	354.70	2.45	-43.05
N#CC1=C2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN2N=C1	REAL300020197001	0	33	-1.0	-44.22	304.18	3.35	-40.87
N#CC1=C2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN2N=C1	REAL300020197001	1	33	-1.0	-44.21	304.10	3.33	-40.88
O=C(C1=NC=C(OCC2CC2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197002	0	40	-1.0	-44.58	337.29	4.62	-39.96
O=C(C1=NC=C(OCC2CC2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197002	1	40	-1.0	-44.55	337.22	4.61	-39.94
CN1N=CC2=C1SC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020197003	0	33	-1.0	-43.15	291.91	2.85	-40.30
CN1N=CC2=C1SC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020197003	1	33	-1.0	-43.12	291.83	2.83	-40.29
COC1=CC=CC=C1N1C=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197004	0	41	-1.0	-46.17	345.64	6.22	-39.95
COC1=CC=CC=C1N1C=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197004	1	41	-1.0	-46.16	345.57	6.22	-39.94
O=C(C1=CN=C(C2CCOCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197005	0	42	-1.0	-41.89	335.51	2.28	-39.61
O=C(C1=CN=C(C2CCOCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197005	1	42	-1.0	-41.89	335.58	2.30	-39.59
CC(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N=C1	REAL300020197006	0	40	-1.0	-52.39	337.07	4.71	-47.68
CC(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N=C1	REAL300020197006	1	40	-1.0	-52.36	337.15	4.73	-47.63
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C(=O)N2CC3=CC=CC=C3C2)CC1	REAL300020197007	0	45	-1.0	-41.13	367.11	5.50	-35.63
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C(=O)N2CC3=CC=CC=C3C2)CC1	REAL300020197007	1	45	-1.0	-41.20	367.18	5.50	-35.70
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C[C@@H]2CCC[C@@H]21	REAL300020197008	0	54	-1.0	-49.10	406.25	6.86	-42.24
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C[C@@H]2CCC[C@@H]21	REAL300020197008	1	54	-1.0	-49.11	406.33	6.88	-42.23
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Br)=C1C	REAL300020197009	0	36	-1.0	-41.46	306.30	5.28	-36.18
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Br)=C1C	REAL300020197009	1	36	-1.0	-41.50	306.38	5.28	-36.22
CC(C)CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020197010	0	49	-1.0	-44.87	393.57	7.67	-37.20
CC(C)CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020197010	1	49	-1.0	-44.85	393.64	7.68	-37.17
CC1CCN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020197011	0	48	-1.0	-43.42	363.60	5.43	-37.99
CC1CCN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020197011	1	48	-1.0	-43.44	363.68	5.43	-38.01
C[NH+](C)C1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197012	0	59	0.0	-66.29	438.14	5.81	-60.48
C[NH+](C)C1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197012	1	59	0.0	-66.26	438.21	5.83	-60.43
CC1=CC(=O)N2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2N1	REAL300020197013	0	36	-1.0	-49.49	303.51	2.04	-47.45
CC1=CC(=O)N2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2N1	REAL300020197013	1	36	-1.0	-49.51	303.58	2.05	-47.46
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197014	0	41	-1.0	-44.37	330.02	2.85	-41.52
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197014	1	41	-1.0	-44.39	330.09	2.87	-41.52
CS(=N)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197015	0	37	-1.0	-54.20	315.19	0.23	-53.97
CS(=N)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197015	1	37	-1.0	-54.21	315.27	0.24	-53.97
COC1=CC=C(C(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020197016	0	40	-1.0	-43.81	332.78	4.52	-39.29
COC1=CC=C(C(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020197016	1	40	-1.0	-43.76	332.85	4.54	-39.22
COC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC(F)(F)C1	REAL300020197017	0	37	-1.0	-46.48	301.46	3.49	-42.99
COC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC(F)(F)C1	REAL300020197017	1	37	-1.0	-46.49	301.54	3.50	-42.99
COC(F)(F)C(F)(F)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197018	0	40	-1.0	-42.74	346.04	4.33	-38.41
COC(F)(F)C(F)(F)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197018	1	40	-1.0	-42.73	346.12	4.34	-38.39
O=C(C1=COC(C2=CC=C(F)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197019	0	36	-1.0	-41.32	319.61	3.19	-38.13
O=C(C1=COC(C2=CC=C(F)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197019	1	36	-1.0	-41.26	319.54	3.18	-38.08
O=C(COCC1=NC(C2CC2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197020	0	39	-1.0	-53.44	338.17	2.30	-51.14
O=C(COCC1=NC(C2CC2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197020	1	39	-1.0	-53.43	338.24	2.30	-51.13
CN1CCC2=CC(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020197021	0	42	-1.0	-45.54	341.50	4.60	-40.94
CN1CCC2=CC(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020197021	1	42	-1.0	-45.56	341.58	4.62	-40.94
O=C(CN1C=NC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197022	0	30	-1.0	-49.84	283.36	4.30	-45.54
O=C(CN1C=NC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197022	1	30	-1.0	-49.87	283.29	4.29	-45.58
CCS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197023	0	41	-1.0	-48.37	348.25	1.07	-47.30
CCS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197023	1	41	-1.0	-48.37	348.33	1.09	-47.28
O=C(C1=CC2=C(Br)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197024	0	33	-1.0	-43.38	309.28	5.72	-37.66
O=C(C1=CC2=C(Br)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197024	1	33	-1.0	-43.36	309.36	5.72	-37.64
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020197025	0	59	-1.0	-49.37	437.84	6.09	-43.28
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020197025	1	59	-1.0	-49.42	437.91	6.11	-43.31
CC1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197026	0	53	-1.0	-43.04	400.80	5.74	-37.30
CC1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197026	1	53	-1.0	-43.08	400.87	5.75	-37.33
O=C([C@@H]1C[C@H]1C1=CC=C(Br)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197027	0	36	-1.0	-43.75	324.57	4.80	-38.95
O=C([C@@H]1C[C@H]1C1=CC=C(Br)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197027	1	36	-1.0	-43.79	324.50	4.78	-39.01
O=C(C1=CN(CCN2CCOCC2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197028	0	45	-1.0	-43.77	363.90	-0.14	-43.91
O=C(C1=CN(CCN2CCOCC2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197028	1	45	-1.0	-43.78	363.97	-0.13	-43.91
O=C(C1=CC=C(C(F)(F)F)N=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197029	0	32	-1.0	-45.51	295.28	3.00	-42.51
O=C(C1=CC=C(C(F)(F)F)N=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197029	1	32	-1.0	-45.51	295.20	3.00	-42.51
O=C(C1=NNC2=C1C(=O)NC=N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197030	0	32	-1.0	-55.89	279.77	1.91	-53.98
O=C(C1=NNC2=C1C(=O)NC=N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197030	1	32	-1.0	-55.87	279.84	1.93	-53.94
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197031	0	56	-1.0	-48.31	421.78	5.36	-42.95
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197031	1	56	-1.0	-48.31	421.86	5.37	-42.94
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197032	0	54	-1.0	-43.26	418.81	6.24	-37.02
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197032	1	54	-1.0	-43.24	418.88	6.25	-36.99
CC(C)(C)OC(=O)N1CCN2C=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020197033	0	52	-1.0	-53.30	402.18	5.59	-47.71
CC(C)(C)OC(=O)N1CCN2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020197033	1	52	-1.0	-53.31	402.25	5.60	-47.71
O=C(C1=COC2=C1C(O)CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197034	0	38	-1.0	-48.82	305.72	1.06	-47.76
O=C(C1=COC2=C1C(O)CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197034	1	38	-1.0	-48.85	305.80	1.08	-47.77
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197035	0	48	-1.0	-42.35	385.67	4.57	-37.78
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197035	1	48	-1.0	-42.36	385.75	4.58	-37.78
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC(F)(F)C1	REAL300020197036	0	50	-1.0	-40.89	395.43	3.40	-37.49
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC(F)(F)C1	REAL300020197036	1	50	-1.0	-40.89	395.51	3.42	-37.47
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O=C(C1=CC(C2=CC=CN=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197037	1	35	-1.0	-40.49	306.89	3.14	-37.35
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197038	0	51	-1.0	-48.42	398.13	2.41	-46.01
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197038	1	51	-1.0	-48.44	398.20	2.42	-46.02
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197039	0	57	-1.0	-44.05	419.66	6.56	-37.49
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197039	1	57	-1.0	-44.11	419.73	6.56	-37.55
CC1=NN(C)C=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197040	0	53	-1.0	-45.17	422.51	2.83	-42.34
CC1=NN(C)C=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197040	1	53	-1.0	-45.17	422.58	2.83	-42.34
O=C(C(O)C1=CC(F)=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197041	0	34	-1.0	-42.94	294.66	2.57	-40.37
O=C(C(O)C1=CC(F)=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197041	1	34	-1.0	-42.98	294.73	2.59	-40.39
N#CC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020197042	0	34	-1.0	-47.65	307.00	5.19	-42.46
N#CC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020197042	1	34	-1.0	-47.68	307.08	5.21	-42.47
O=C(C1=CC=C(Br)N=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197043	0	32	-1.0	-44.25	304.69	3.47	-40.78
O=C(C1=CC=C(Br)N=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197043	1	32	-1.0	-44.26	304.62	3.46	-40.80
O=C(CC(C1=CC=CC=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197044	0	39	-1.0	-41.87	324.53	6.12	-35.75
O=C(CC(C1=CC=CC=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197044	1	39	-1.0	-41.87	324.61	6.13	-35.74
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(CO)C1	REAL300020197045	0	51	-1.0	-53.01	397.19	0.67	-52.34
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(CO)C1	REAL300020197045	1	51	-1.0	-52.96	397.26	0.67	-52.29
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1Cl	REAL300020197046	0	35	-1.0	-43.29	313.30	5.33	-37.96
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1Cl	REAL300020197046	1	35	-1.0	-43.30	313.37	5.33	-37.97
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C2C(=O)CCCC2=N1	REAL300020197047	0	41	-1.0	-52.20	332.80	5.59	-46.61
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C2C(=O)CCCC2=N1	REAL300020197047	1	41	-1.0	-52.23	332.87	5.61	-46.62
NC1=NC(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020197048	0	31	-1.0	-43.35	286.27	1.28	-42.07
NC1=NC(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020197048	1	31	-1.0	-43.37	286.20	1.26	-42.11
O=C(NC(CC1=CC=CN=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020197049	0	49	-1.0	-44.39	400.73	4.74	-39.65
O=C(NC(CC1=CC=CN=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020197049	1	49	-1.0	-44.37	400.66	4.73	-39.64
CCOCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020197050	0	36	-1.0	-43.48	317.40	2.16	-41.32
CCOCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020197050	1	36	-1.0	-43.51	317.47	2.17	-41.34
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1CCOC1	REAL300020197051	0	40	-1.0	-45.36	326.05	1.30	-44.06
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1CCOC1	REAL300020197051	1	40	-1.0	-45.31	326.12	1.31	-44.00
O=C(C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197052	0	46	-1.0	-45.84	375.91	7.27	-38.57
O=C(C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197052	1	46	-1.0	-45.84	375.98	7.29	-38.55
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CC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020197054	0	35	-1.0	-46.05	297.31	4.13	-41.92
CC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020197054	1	35	-1.0	-46.03	297.39	4.13	-41.90
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197055	0	53	-1.0	-49.01	420.73	4.44	-44.57
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197055	1	53	-1.0	-49.02	420.80	4.45	-44.57
O=C(C1=CC2=C(Br)C=C(Cl)C=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197056	0	34	-1.0	-40.73	322.05	5.20	-35.53
O=C(C1=CC2=C(Br)C=C(Cl)C=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197056	1	34	-1.0	-40.72	322.13	5.22	-35.50
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=CC(Cl)=C1	REAL300020197057	0	37	-1.0	-40.76	321.82	5.25	-35.51
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=CC(Cl)=C1	REAL300020197057	1	37	-1.0	-40.77	321.90	5.25	-35.52
N#CCCCOC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197058	0	44	-1.0	-51.42	374.43	6.32	-45.10
N#CCCCOC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197058	1	44	-1.0	-51.43	374.51	6.32	-45.11
CN1C=CC(C(=O)NC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020197059	0	44	-1.0	-48.75	367.52	3.40	-45.35
CN1C=CC(C(=O)NC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020197059	1	44	-1.0	-48.71	367.45	3.38	-45.33
C[C@@H]1[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020197060	0	53	-1.0	-50.53	388.41	5.82	-44.71
C[C@@H]1[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020197060	1	53	-1.0	-50.55	388.48	5.83	-44.72
CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CCSC1	REAL300020197061	0	51	-1.0	-41.84	398.71	4.46	-37.38
CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CCSC1	REAL300020197061	1	51	-1.0	-41.92	398.79	4.46	-37.46
C[C@@H]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197062	0	53	-1.0	-43.88	405.60	5.42	-38.46
C[C@@H]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197062	1	53	-1.0	-43.91	405.68	5.45	-38.46
CC(C)(C)OC(=O)NCCSCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197063	0	47	-1.0	-49.86	391.76	2.91	-46.95
CC(C)(C)OC(=O)NCCSCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197063	1	47	-1.0	-49.91	391.83	2.92	-46.99
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL300020197064	0	40	-1.0	-44.23	335.74	6.42	-37.81
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL300020197064	1	40	-1.0	-44.22	335.81	6.42	-37.80
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC(F)=CC=C2F)CCC1	REAL300020197065	0	40	-1.0	-44.35	325.41	5.96	-38.39
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC(F)=CC=C2F)CCC1	REAL300020197065	1	40	-1.0	-44.38	325.49	5.97	-38.41
O=C(C(O)C1=CC=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197066	0	34	-1.0	-42.86	292.65	2.52	-40.34
O=C(C(O)C1=CC=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197066	1	34	-1.0	-42.88	292.72	2.53	-40.35
O=C(CC1(N2C=NN=N2)CCSCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197067	0	42	-1.0	-45.40	334.72	4.26	-41.14
O=C(CC1(N2C=NN=N2)CCSCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197067	1	42	-1.0	-45.40	334.64	4.25	-41.15
NC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020197068	0	34	-1.0	-45.60	297.02	0.87	-44.73
NC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020197068	1	34	-1.0	-45.58	297.09	0.87	-44.71
O=C(C=CC1=NC2=CC=CC=C2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197069	0	38	-1.0	-45.46	328.69	3.94	-41.52
O=C(C=CC1=NC2=CC=CC=C2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197069	1	38	-1.0	-45.48	328.76	3.94	-41.54
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197070	0	43	-1.0	-49.14	362.19	4.19	-44.95
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197070	1	43	-1.0	-49.19	362.26	4.21	-44.98
CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197071	0	49	-1.0	-49.00	405.54	5.93	-43.07
CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197071	1	49	-1.0	-48.98	405.61	5.94	-43.04
CN1C=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N(C)C1=O	REAL300020197072	0	40	-1.0	-51.68	335.64	3.63	-48.05
CN1C=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N(C)C1=O	REAL300020197072	1	40	-1.0	-51.73	335.71	3.63	-48.10
CN1N=CC=C1C1=NNC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197073	0	37	-1.0	-51.25	312.58	1.30	-49.95
CN1N=CC=C1C1=NNC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197073	1	37	-1.0	-51.27	312.65	1.31	-49.96
O=C(C1=NN=C2C=CC(Br)=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197074	0	32	-1.0	-42.21	296.83	5.07	-37.14
O=C(C1=NN=C2C=CC(Br)=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197074	1	32	-1.0	-42.20	296.76	5.06	-37.14
COC1=NC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020197075	0	33	-1.0	-43.83	298.90	1.07	-42.76
COC1=NC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020197075	1	33	-1.0	-43.83	298.83	1.07	-42.76
COC1=NSC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197076	0	34	-1.0	-42.57	309.75	1.25	-41.32
COC1=NSC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197076	1	34	-1.0	-42.56	309.82	1.27	-41.29
CC(C)N1N=CC2=C1NC(=O)C(C=CC(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020197077	0	46	-1.0	-50.08	382.36	4.81	-45.27
CC(C)N1N=CC2=C1NC(=O)C(C=CC(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020197077	1	46	-1.0	-50.12	382.43	4.82	-45.30
CC(C)CC1=NN=C2C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=CN12	REAL300020197078	0	44	-1.0	-60.47	365.20	6.98	-53.49
CC(C)CC1=NN=C2C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=CN12	REAL300020197078	1	44	-1.0	-60.46	365.27	6.99	-53.47
COC1(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020197079	0	37	-1.0	-39.59	299.46	2.97	-36.62
COC1(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020197079	1	37	-1.0	-39.62	299.54	2.99	-36.63
O=C(C1=CSC(CC(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197080	0	32	-1.0	-44.06	302.37	3.29	-40.77
O=C(C1=CSC(CC(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197080	1	32	-1.0	-44.08	302.45	3.30	-40.78
CC(C)(C)OC1CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C12CCC2	REAL300020197081	0	53	-1.0	-42.88	404.14	6.80	-36.08
CC(C)(C)OC1CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C12CCC2	REAL300020197081	1	53	-1.0	-42.93	404.21	6.80	-36.13
O=C(CC1CSC2=CC=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197082	0	42	-1.0	-51.13	349.42	6.02	-45.11
O=C(CC1CSC2=CC=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197082	1	42	-1.0	-51.09	349.49	6.04	-45.05
O=C(C1=COC2=C(F)C=C(F)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020197083	0	33	-1.0	-44.62	291.60	4.18	-40.44
O=C(C1=COC2=C(F)C=C(F)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020197083	1	33	-1.0	-44.57	291.67	4.19	-40.38
CCC1=CC=CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=C21	REAL300020197084	0	41	-1.0	-43.68	334.08	6.31	-37.37
CCC1=CC=CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=C21	REAL300020197084	1	41	-1.0	-43.69	334.00	6.29	-37.40
O=C(C1=CC=C(C2(C(F)(F)F)CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197085	0	40	-1.0	-43.51	335.36	6.42	-37.09
O=C(C1=CC=C(C2(C(F)(F)F)CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197085	1	40	-1.0	-43.51	335.43	6.43	-37.08
O=C(C1=CN(C2=NC(C3CC3)=NS2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197086	0	39	-1.0	-42.22	349.90	6.94	-35.28
O=C(C1=CN(C2=NC(C3CC3)=NS2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197086	1	39	-1.0	-42.22	349.83	6.93	-35.29
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCS(=O)(=O)CC1	REAL300020197087	0	39	-1.0	-48.97	300.29	0.25	-48.72
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCS(=O)(=O)CC1	REAL300020197087	1	39	-1.0	-48.98	300.36	0.26	-48.72
CC(F)(F)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197088	0	36	-1.0	-50.28	300.11	5.13	-45.15
CC(F)(F)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197088	1	36	-1.0	-50.29	300.19	5.15	-45.14
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(F)CCC(F)(F)CC1	REAL300020197089	0	36	-1.0	-40.58	290.86	4.09	-36.49
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(F)CCC(F)(F)CC1	REAL300020197089	1	36	-1.0	-40.57	290.94	4.12	-36.45
O=C(C1CCCN1C1CCS(=O)(=O)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197090	0	45	-1.0	-54.84	354.87	-0.24	-55.08
O=C(C1CCCN1C1CCS(=O)(=O)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197090	1	45	-1.0	-54.82	354.95	-0.22	-55.04
CC1(C)CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1C(F)(F)F	REAL300020197091	0	39	-1.0	-43.27	318.83	4.90	-38.37
CC1(C)CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1C(F)(F)F	REAL300020197091	1	39	-1.0	-43.25	318.90	4.91	-38.34
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2=CC=CC=C2NC1=O	REAL300020197092	0	41	-1.0	-41.36	325.20	3.08	-38.28
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2=CC=CC=C2NC1=O	REAL300020197092	1	41	-1.0	-41.34	325.28	3.09	-38.25
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL300020197093	0	46	-1.0	-47.71	352.47	7.43	-40.28
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL300020197093	1	46	-1.0	-47.67	352.54	7.43	-40.24
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CCCC1CC(=O)CC2	REAL300020197094	0	42	-1.0	-44.14	307.10	4.36	-39.78
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CCCC1CC(=O)CC2	REAL300020197094	1	42	-1.0	-44.15	307.17	4.36	-39.79
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(F)C=C2)CCCCO1	REAL300020197095	0	47	-1.0	-46.56	354.32	7.04	-39.52
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(F)C=C2)CCCCO1	REAL300020197095	1	47	-1.0	-46.56	354.39	7.05	-39.51
O=C(C1=CC=C2C(=C1)CCNC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197096	0	38	-1.0	-48.96	309.59	2.01	-46.95
O=C(C1=CC=C2C(=C1)CCNC2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197096	1	38	-1.0	-48.90	309.67	2.03	-46.87
CC(C)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1=O	REAL300020197097	0	43	-1.0	-43.64	333.94	3.70	-39.94
CC(C)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1=O	REAL300020197097	1	43	-1.0	-43.65	334.01	3.71	-39.94
CCOC(=O)C1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020197098	0	35	-1.0	-44.40	319.17	3.14	-41.26
CCOC(=O)C1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020197098	1	35	-1.0	-44.38	319.10	3.12	-41.26
C[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020197099	0	42	-1.0	-42.47	354.30	7.00	-35.47
C[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020197099	1	42	-1.0	-42.48	354.38	7.01	-35.47
C[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C2OCOC2=C1	REAL300020197100	0	42	-1.0	-45.21	341.59	4.66	-40.55
C[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C2OCOC2=C1	REAL300020197100	1	42	-1.0	-45.23	341.67	4.66	-40.57
O=C(CC1CCCC2(CCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197101	0	44	-1.0	-47.00	339.56	5.53	-41.47
O=C(CC1CCCC2(CCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197101	1	44	-1.0	-47.01	339.64	5.54	-41.47
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCCCO1	REAL300020197102	0	37	-1.0	-39.55	292.77	2.97	-36.58
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCCCO1	REAL300020197102	1	37	-1.0	-39.56	292.84	2.98	-36.58
O=C([C@@H]1CCO[C@H]1C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197103	0	41	-1.0	-43.18	335.97	4.82	-38.36
O=C([C@@H]1CCO[C@H]1C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197103	1	41	-1.0	-43.17	336.05	4.84	-38.33
CC1=NN(C(C)C)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197104	0	42	-1.0	-44.46	345.92	4.35	-40.11
CC1=NN(C(C)C)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197104	1	42	-1.0	-44.48	345.99	4.36	-40.12
O=C(C1=CON=C1C1CCCO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197105	0	37	-1.0	-45.76	303.98	2.04	-43.72
O=C(C1=CON=C1C1CCCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197105	1	37	-1.0	-45.74	304.05	2.04	-43.70
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020197106	0	50	-1.0	-49.06	388.64	4.85	-44.21
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020197106	1	50	-1.0	-49.06	388.71	4.87	-44.19
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020197107	0	50	-1.0	-49.31	388.46	4.77	-44.54
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020197107	1	50	-1.0	-49.34	388.54	4.79	-44.55
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197108	0	50	-1.0	-41.92	391.25	4.83	-37.09
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197108	1	50	-1.0	-41.88	391.32	4.84	-37.04
CC1=C(Br)C=NN1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197109	0	33	-1.0	-48.05	303.34	3.20	-44.85
CC1=C(Br)C=NN1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197109	1	33	-1.0	-48.08	303.42	3.22	-44.86
O=C(C1CNC(=O)CC12CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197110	0	41	-1.0	-50.89	317.85	1.97	-48.92
O=C(C1CNC(=O)CC12CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197110	1	41	-1.0	-50.88	317.92	1.97	-48.91
O=C(CSC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020197111	0	34	-1.0	-46.40	318.45	5.81	-40.59
O=C(CSC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020197111	1	34	-1.0	-46.42	318.52	5.82	-40.60
O=C(C1=CNC2=CC(Cl)=C(Cl)C=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197112	0	36	-1.0	-55.68	343.18	4.78	-50.90
O=C(C1=CNC2=CC(Cl)=C(Cl)C=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197112	1	36	-1.0	-55.65	343.26	4.78	-50.87
O=C(CC1COCCN1CC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197113	0	42	-1.0	-44.01	338.17	1.14	-42.87
O=C(CC1COCCN1CC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197113	1	42	-1.0	-43.98	338.24	1.15	-42.83
C=C(F)C1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197114	0	51	-1.0	-43.30	407.38	5.15	-38.15
C=C(F)C1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197114	1	51	-1.0	-43.31	407.45	5.17	-38.14
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2C1	REAL300020197115	0	54	-1.0	-47.76	415.95	6.77	-40.99
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2C1	REAL300020197115	1	54	-1.0	-47.81	416.02	6.77	-41.04
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020197116	0	56	-1.0	-44.56	420.59	5.98	-38.58
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020197116	1	56	-1.0	-44.54	420.66	5.98	-38.56
C[C@@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)CN1C(=O)OC(C)(C)C	REAL300020197117	0	53	-1.0	-51.49	391.02	5.86	-45.63
C[C@@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)CN1C(=O)OC(C)(C)C	REAL300020197117	1	53	-1.0	-51.55	391.09	5.87	-45.68
CC1(C)C2CCC1(CC(=O)N1CCC(C3=N[N-]N=N3)C1)CC2	REAL300020197118	0	46	-1.0	-42.75	333.06	6.00	-36.75
CC1(C)C2CCC1(CC(=O)N1CCC(C3=NN=N[N-]3)C1)CC2	REAL300020197118	1	46	-1.0	-42.73	333.14	6.02	-36.71
O=C(CN1C=C(C2CCOC2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197119	0	41	-1.0	-52.72	337.90	2.82	-49.90
O=C(CN1C=C(C2CCOC2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197119	1	41	-1.0	-52.69	337.83	2.80	-49.89
CCC1=CC2=C(OCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197120	0	41	-1.0	-47.62	333.16	5.04	-42.58
CCC1=CC2=C(OCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197120	1	41	-1.0	-47.57	333.23	5.04	-42.53
O=C(CCC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197121	0	50	-1.0	-44.70	413.39	8.87	-35.83
O=C(CCC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197121	1	50	-1.0	-44.71	413.46	8.88	-35.83
C=CC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020197122	0	57	-1.0	-43.89	420.16	6.20	-37.69
C=CC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020197122	1	57	-1.0	-43.88	420.23	6.20	-37.68
CC(C)(C)OC(=O)N1CC2(CCCC2)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197123	0	57	-1.0	-50.04	431.40	6.58	-43.46
CC(C)(C)OC(=O)N1CC2(CCCC2)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197123	1	57	-1.0	-50.05	431.47	6.59	-43.46
CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@H]2C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197124	0	57	-1.0	-53.45	420.44	6.29	-47.16
CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@H]2C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197124	1	57	-1.0	-53.45	420.51	6.29	-47.16
CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197125	0	49	-1.0	-50.13	407.56	5.93	-44.20
CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197125	1	49	-1.0	-50.18	407.64	5.94	-44.24
O=C(C1=CC=C(CN2C=C(Cl)C=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197126	0	40	-1.0	-48.57	350.97	5.73	-42.84
O=C(C1=CC=C(CN2C=C(Cl)C=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197126	1	40	-1.0	-48.55	350.90	5.72	-42.83
O=C(C1=CC(C(F)(F)F)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197127	0	30	-1.0	-42.22	282.21	3.77	-38.45
O=C(C1=CC(C(F)(F)F)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197127	1	30	-1.0	-42.22	282.29	3.77	-38.45
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197128	0	37	-1.0	-46.18	320.16	-3.23	-49.41
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197128	1	37	-1.0	-46.17	320.24	-3.23	-49.40
O=C(C1=CC=CC(OCC2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197129	0	41	-1.0	-43.18	333.06	5.36	-37.82
O=C(C1=CC=CC(OCC2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197129	1	41	-1.0	-43.15	333.13	5.38	-37.77
CSC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020197130	0	34	-1.0	-42.59	308.50	5.21	-37.38
CSC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020197130	1	34	-1.0	-42.58	308.57	5.22	-37.36
CC1=C(Cl)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020197131	0	33	-1.0	-39.88	303.35	5.17	-34.71
CC1=C(Cl)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020197131	1	33	-1.0	-39.91	303.42	5.18	-34.73
CC(C)(C)OC(=O)N1CC2(CCC2)CCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197132	0	57	-1.0	-52.45	424.21	7.14	-45.31
CC(C)(C)OC(=O)N1CC2(CCC2)CCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197132	1	57	-1.0	-52.39	424.28	7.15	-45.24
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC=C1	REAL300020197133	0	47	-1.0	-47.39	382.23	2.49	-44.90
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC=C1	REAL300020197133	1	47	-1.0	-47.42	382.30	2.49	-44.93
CC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020197134	0	53	-1.0	-50.49	399.59	6.05	-44.44
CC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020197134	1	53	-1.0	-50.53	399.66	6.07	-44.46
O=C(C1=C2SC(C(F)F)=NC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197135	0	35	-1.0	-46.66	319.74	4.17	-42.49
O=C(C1=C2SC(C(F)F)=NC2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197135	1	35	-1.0	-46.68	319.81	4.18	-42.50
CC(C)(C)OC(=O)N1C[C@@H](CC2CC2)[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197136	0	57	-1.0	-45.15	439.40	6.72	-38.43
CC(C)(C)OC(=O)N1C[C@@H](CC2CC2)[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197136	1	57	-1.0	-45.15	439.47	6.74	-38.41
COC1C(F)CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)N1C(=O)OC(C)(C)C	REAL300020197137	0	54	-1.0	-45.20	404.96	4.78	-40.42
COC1C(F)CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)N1C(=O)OC(C)(C)C	REAL300020197137	1	54	-1.0	-45.17	405.03	4.79	-40.38
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC2CCC1C2	REAL300020197138	0	57	-1.0	-40.61	407.01	4.73	-35.88
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC2CCC1C2	REAL300020197138	1	57	-1.0	-40.61	407.08	4.73	-35.88
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197139	0	52	-1.0	-48.85	376.20	3.81	-45.04
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197139	1	52	-1.0	-48.87	376.28	3.82	-45.05
CC(F)(F)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197140	0	36	-1.0	-45.80	303.22	5.09	-40.71
CC(F)(F)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197140	1	36	-1.0	-45.85	303.30	5.09	-40.76
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=NN2C)=N1	REAL300020197141	0	40	-1.0	-51.85	335.96	2.62	-49.23
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=NN2C)=N1	REAL300020197141	1	40	-1.0	-51.87	336.03	2.63	-49.24
O=C(C1=CC=C(Cl)C=C1SCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197142	0	44	-1.0	-44.13	389.75	9.09	-35.04
O=C(C1=CC=C(Cl)C=C1SCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197142	1	44	-1.0	-44.13	389.83	9.09	-35.04
CC1=NC=C2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2=N1	REAL300020197143	0	41	-1.0	-43.93	331.91	4.27	-39.66
CC1=NC=C2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2=N1	REAL300020197143	1	41	-1.0	-43.99	331.98	4.28	-39.71
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=CO1	REAL300020197144	0	36	-1.0	-45.39	320.54	4.50	-40.89
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020197144	1	36	-1.0	-45.41	320.61	4.51	-40.90
CCC1=NC=C2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2=N1	REAL300020197145	0	44	-1.0	-43.56	353.45	4.87	-38.69
CCC1=NC=C2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2=N1	REAL300020197145	1	44	-1.0	-43.59	353.52	4.89	-38.70
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)OC1=CC=CC=C1	REAL300020197146	0	34	-1.0	-40.18	295.26	4.70	-35.48
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)OC1=CC=CC=C1	REAL300020197146	1	34	-1.0	-40.21	295.33	4.71	-35.50
CC(NC(=O)OC(C)(C)C)C1=NOC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197147	0	49	-1.0	-48.83	393.63	2.38	-46.45
CC(NC(=O)OC(C)(C)C)C1=NOC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197147	1	49	-1.0	-48.89	393.70	2.40	-46.49
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197148	0	50	-1.0	-47.44	381.90	4.15	-43.29
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197148	1	50	-1.0	-47.45	381.98	4.17	-43.28
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197149	0	54	-1.0	-50.39	416.45	6.12	-44.27
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197149	1	54	-1.0	-50.40	416.53	6.13	-44.27
CC1=CN(CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020197150	0	43	-1.0	-48.74	355.78	5.90	-42.84
CC1=CN(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)N=C1	REAL300020197150	1	43	-1.0	-48.74	355.70	5.89	-42.85
O=C([C@@H]1OCCC[C@@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197151	0	44	-1.0	-41.90	330.29	6.16	-35.74
O=C([C@@H]1OCCC[C@@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197151	1	44	-1.0	-41.90	330.37	6.16	-35.74
O=C([C@@H]1OCCC[C@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197152	0	44	-1.0	-42.77	343.59	5.88	-36.89
O=C([C@@H]1OCCC[C@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197152	1	44	-1.0	-42.77	343.67	5.89	-36.88
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCNS1(=O)=O	REAL300020197153	0	38	-1.0	-49.08	299.89	-0.87	-49.95
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCNS1(=O)=O	REAL300020197153	1	38	-1.0	-49.07	299.96	-0.86	-49.93
O=C(CCC1=CC=C(Br)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197154	0	33	-1.0	-41.66	314.03	5.38	-36.28
O=C(CCC1=CC=C(Br)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197154	1	33	-1.0	-41.65	314.11	5.39	-36.26
C[C@@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020197155	0	53	-1.0	-45.36	397.49	5.53	-39.83
C[C@@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020197155	1	53	-1.0	-45.38	397.56	5.53	-39.85
CC(C)(C)OC(=O)NC1CCC2(CC2)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197156	0	57	-1.0	-45.03	433.16	5.97	-39.06
CC(C)(C)OC(=O)NC1CCC2(CC2)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197156	1	57	-1.0	-45.04	433.23	5.97	-39.07
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(C(F)F)C1	REAL300020197157	0	50	-1.0	-50.92	398.88	4.28	-46.64
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(C(F)F)C1	REAL300020197157	1	50	-1.0	-50.90	398.95	4.28	-46.62
CN1C=CC(C23CC(CC2)C3C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020197158	0	44	-1.0	-51.00	346.92	5.72	-45.28
CN1C=CC(C23CC(CC2)C3C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020197158	1	44	-1.0	-51.02	346.84	5.70	-45.32
COC1=CC=C(Br)C(F)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197159	0	34	-1.0	-47.08	315.88	3.90	-43.18
COC1=CC=C(Br)C(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197159	1	34	-1.0	-47.08	315.95	3.91	-43.17
CC(C)(C)C1=CC=C(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2=O)C=C1	REAL300020197160	0	53	-1.0	-41.22	417.99	7.15	-34.07
CC(C)(C)C1=CC=C(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2=O)C=C1	REAL300020197160	1	53	-1.0	-41.19	418.06	7.16	-34.03
CC1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N2CC2CC2)S1	REAL300020197161	0	44	-1.0	-42.72	367.12	7.56	-35.16
CC1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N2CC2CC2)S1	REAL300020197161	1	44	-1.0	-42.76	367.20	7.56	-35.20
O=C(CCC=CBr)N1CCC(C2=N[N-]N=N2)C1	REAL300020197162	0	30	-1.0	-42.27	276.50	3.82	-38.45
O=C(CCC=CBr)N1CCC(C2=NN=N[N-]2)C1	REAL300020197162	1	30	-1.0	-42.23	276.58	3.83	-38.40
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197163	0	54	-1.0	-40.78	407.38	1.94	-38.84
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197163	1	54	-1.0	-40.78	407.45	1.95	-38.83
CC1=CC(F)=CC(C(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197164	0	39	-1.0	-37.73	322.91	5.92	-31.81
CC1=CC(F)=CC(C(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197164	1	39	-1.0	-37.74	322.99	5.93	-31.81
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197165	0	36	-1.0	-43.14	317.46	2.98	-40.16
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197165	1	36	-1.0	-43.20	317.38	2.97	-40.23
O=C(C1=CC2=C(C=CS2)N1CC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197166	0	37	-1.0	-43.29	331.49	5.63	-37.66
O=C(C1=CC2=C(C=CS2)N1CC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197166	1	37	-1.0	-43.31	331.56	5.63	-37.68
CC1(C)CCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(Cl)N=C2C1	REAL300020197167	0	45	-1.0	-43.79	362.16	5.71	-38.08
CC1(C)CCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(Cl)N=C2C1	REAL300020197167	1	45	-1.0	-43.80	362.24	5.72	-38.08
O=C(CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197168	0	40	-1.0	-50.12	367.98	5.84	-44.28
O=C(CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197168	1	40	-1.0	-50.09	367.91	5.82	-44.27
O=C(CC(C1=CC=CC=C1F)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197169	0	39	-1.0	-44.16	329.56	6.15	-38.01
O=C(CC(C1=CC=CC=C1F)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197169	1	39	-1.0	-44.18	329.63	6.15	-38.03
O=C(COC1=CC=CC=C1C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197170	0	37	-1.0	-49.86	319.60	5.66	-44.20
O=C(COC1=CC=CC=C1C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197170	1	37	-1.0	-49.86	319.67	5.68	-44.18
O=C(C1=CC=CC(C2CC2(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197171	0	37	-1.0	-44.86	310.24	5.75	-39.11
O=C(C1=CC=CC(C2CC2(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197171	1	37	-1.0	-44.85	310.32	5.76	-39.09
CCOC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=NC=C1	REAL300020197172	0	39	-1.0	-45.13	335.52	3.53	-41.60
CCOC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=NC=C1	REAL300020197172	1	39	-1.0	-45.13	335.45	3.53	-41.60
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197173	0	45	-1.0	-40.39	358.14	2.97	-37.42
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197173	1	45	-1.0	-40.36	358.22	2.98	-37.38
COC(=O)CC[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020197174	0	55	-1.0	-49.41	435.87	4.14	-45.27
COC(=O)CC[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020197174	1	55	-1.0	-49.37	435.95	4.14	-45.23
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197175	0	51	-1.0	-52.17	394.73	5.33	-46.84
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197175	1	51	-1.0	-52.20	394.81	5.33	-46.87
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)CC1	REAL300020197176	0	55	-1.0	-46.80	425.08	6.62	-40.18
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)CC1	REAL300020197176	1	55	-1.0	-46.80	425.15	6.63	-40.17
O=C(C1CC2CC1C1C2C1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197177	0	38	-1.0	-43.35	300.13	5.16	-38.19
O=C(C1CC2CC1C1C2C1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197177	1	38	-1.0	-43.36	300.20	5.18	-38.18
O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197178	0	40	-1.0	-43.90	327.20	4.81	-39.09
O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197178	1	40	-1.0	-43.89	327.13	4.79	-39.10
O=C(C1CCC2(CC1)COCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197179	0	45	-1.0	-38.06	339.80	3.19	-34.87
O=C(C1CCC2(CC1)COCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197179	1	45	-1.0	-38.04	339.87	3.21	-34.83
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCCC1	REAL300020197180	0	56	-1.0	-46.83	395.68	6.26	-40.57
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCCC1	REAL300020197180	1	56	-1.0	-46.86	395.76	6.27	-40.59
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197181	0	33	-1.0	-44.50	309.87	5.15	-39.35
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197181	1	33	-1.0	-44.49	309.94	5.17	-39.32
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197182	0	56	-1.0	-46.18	427.21	4.71	-41.47
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197182	1	56	-1.0	-46.15	427.29	4.72	-41.43
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197183	0	59	-1.0	-44.85	420.71	5.93	-38.92
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197183	1	59	-1.0	-44.88	420.78	5.95	-38.93
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197184	0	41	-1.0	-44.88	335.13	6.51	-38.37
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197184	1	41	-1.0	-44.91	335.20	6.52	-38.39
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197185	0	36	-1.0	-53.09	314.46	-2.66	-55.75
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197185	1	36	-1.0	-53.10	314.38	-2.67	-55.77
CC1=NN(C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197186	0	40	-1.0	-52.71	331.34	5.93	-46.78
CC1=NN(C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197186	1	40	-1.0	-52.68	331.41	5.94	-46.74
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300020197187	0	40	-1.0	-42.61	326.38	6.11	-36.50
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300020197187	1	40	-1.0	-42.65	326.46	6.12	-36.53
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C(Br)O1	REAL300020197188	0	33	-1.0	-40.19	305.25	4.15	-36.04
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C(Br)O1	REAL300020197188	1	33	-1.0	-40.25	305.32	4.16	-36.09
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197189	0	44	-1.0	-48.00	339.88	4.87	-43.13
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197189	1	44	-1.0	-48.01	339.80	4.85	-43.16
CC12CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(C1)C1(CCC1)O2	REAL300020197190	0	42	-1.0	-42.24	317.31	3.69	-38.55
CC12CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(C1)C1(CCC1)O2	REAL300020197190	1	42	-1.0	-42.27	317.38	3.69	-38.58
CC12CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(C1)C1(CCOCC1)O2	REAL300020197191	0	46	-1.0	-44.24	338.24	2.37	-41.87
CC12CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(C1)C1(CCOCC1)O2	REAL300020197191	1	46	-1.0	-44.28	338.32	2.37	-41.91
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197192	0	54	-1.0	-54.71	402.87	6.33	-48.38
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197192	1	54	-1.0	-54.70	402.94	6.33	-48.37
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197193	0	38	-1.0	-47.51	314.76	1.38	-46.13
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197193	1	38	-1.0	-47.56	314.83	1.39	-46.17
O=C(C1=NNC2=CC=C(F)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197194	0	33	-1.0	-46.43	288.49	2.92	-43.51
O=C(C1=NNC2=CC=C(F)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197194	1	33	-1.0	-46.43	288.56	2.94	-43.49
COC1=CC=C(C23CC(CC2)C3C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197195	0	48	-1.0	-45.77	376.90	6.82	-38.95
COC1=CC=C(C23CC(CC2)C3C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197195	1	48	-1.0	-45.69	376.97	6.83	-38.86
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2CCOCC2)CCOCC1	REAL300020197196	0	48	-1.0	-46.60	332.23	2.48	-44.12
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2CCOCC2)CCOCC1	REAL300020197196	1	48	-1.0	-46.60	332.31	2.51	-44.09
O=C(C1=CC=CC=C1C1CC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197197	0	37	-1.0	-46.56	312.14	5.85	-40.71
O=C(C1=CC=CC=C1C1CC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197197	1	37	-1.0	-46.54	312.21	5.86	-40.68
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197198	0	34	-1.0	-40.85	298.93	2.41	-38.44
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197198	1	34	-1.0	-40.85	299.01	2.42	-38.43
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197199	0	34	-1.0	-44.73	300.11	2.61	-42.12
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197199	1	34	-1.0	-44.73	300.18	2.62	-42.11
CCC1=NN(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020197200	0	36	-1.0	-40.90	321.77	3.49	-37.41
CCC1=NN(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020197200	1	36	-1.0	-40.92	321.84	3.50	-37.42
O=C(CSC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197201	0	34	-1.0	-45.68	305.67	5.33	-40.35
O=C(CSC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197201	1	34	-1.0	-45.70	305.74	5.33	-40.37
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197202	0	31	-1.0	-41.30	286.48	2.89	-38.41
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197202	1	31	-1.0	-41.25	286.56	2.90	-38.35
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197203	0	40	-1.0	-51.26	340.96	4.09	-47.17
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197203	1	40	-1.0	-51.28	341.03	4.09	-47.19
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197204	0	33	-1.0	-38.51	307.59	5.37	-33.14
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197204	1	33	-1.0	-38.52	307.66	5.37	-33.15
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197205	0	37	-1.0	-53.95	311.11	1.95	-52.00
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197205	1	37	-1.0	-53.93	311.03	1.94	-51.99
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197206	0	41	-1.0	-40.36	341.69	4.59	-35.77
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197206	1	41	-1.0	-40.37	341.77	4.60	-35.77
CCC1=NC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020197207	0	40	-1.0	-40.08	332.66	3.54	-36.54
CCC1=NC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020197207	1	40	-1.0	-40.07	332.74	3.54	-36.53
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=CO1	REAL300020197208	0	39	-1.0	-44.05	344.46	5.23	-38.82
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020197208	1	39	-1.0	-44.03	344.53	5.23	-38.80
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=CO1	REAL300020197209	0	36	-1.0	-43.99	319.08	4.46	-39.53
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020197209	1	36	-1.0	-43.98	319.16	4.46	-39.52
CC1(C)CCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(Cl)N=C2C1	REAL300020197210	0	45	-1.0	-43.79	362.16	5.71	-38.08
CC1(C)CCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(Cl)N=C2C1	REAL300020197210	1	45	-1.0	-43.80	362.24	5.72	-38.08
O=C(C1=CC(C2CC2)=NNC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197211	0	36	-1.0	-50.77	311.78	1.72	-49.05
O=C(C1=CC(C2CC2)=NNC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197211	1	36	-1.0	-50.76	311.85	1.73	-49.03
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300020197212	0	44	-1.0	-47.40	345.23	6.44	-40.96
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300020197212	1	44	-1.0	-47.42	345.30	6.45	-40.97
CC1=CC(C)=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020197213	0	40	-1.0	-42.31	326.92	5.41	-36.90
CC1=CC(C)=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020197213	1	40	-1.0	-42.32	326.99	5.43	-36.89
CC1=NC2=C(NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)S1	REAL300020197214	0	33	-1.0	-43.76	291.30	2.00	-41.76
CC1=NC2=C(NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)S1	REAL300020197214	1	33	-1.0	-43.73	291.37	2.02	-41.71
CC1(C)OCC2=C1NN=C2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197215	0	38	-1.0	-43.99	313.52	1.21	-42.78
CC1(C)OCC2=C1NN=C2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197215	1	38	-1.0	-44.01	313.59	1.22	-42.79
CC1(C)OCC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NN=C21	REAL300020197215	1	38	-1.0	-41.06	309.99	1.13	-39.93
CC1(C)OCC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NN=C21	REAL300020197215	1	38	-1.0	-41.06	310.06	1.15	-39.91
O=C(C1=CC(C2CCOCC2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197216	0	41	-1.0	-41.63	327.13	1.88	-39.75
O=C(C1=CC(C2CCOCC2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197216	1	41	-1.0	-41.68	327.21	1.89	-39.79
O=C(C1=CN(C2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197217	0	40	-1.0	-43.56	317.88	4.05	-39.51
O=C(C1=CN(C2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197217	1	40	-1.0	-43.56	317.81	4.03	-39.53
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020197218	0	48	-1.0	-39.78	359.89	5.77	-34.01
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020197218	1	48	-1.0	-39.79	359.96	5.79	-34.00
COC1=CC=C(N2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C(C)C)C=C1	REAL300020197219	0	50	-1.0	-43.25	386.26	5.65	-37.60
COC1=CC=C(N2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C(C)C)C=C1	REAL300020197219	1	50	-1.0	-43.27	386.33	5.66	-37.61
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197220	0	36	-1.0	-43.62	305.33	4.28	-39.34
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197220	1	36	-1.0	-43.61	305.41	4.30	-39.31
O=C(CCN1C=CC2=CC=CN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197221	0	39	-1.0	-46.46	329.94	5.95	-40.51
O=C(CCN1C=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197221	1	39	-1.0	-46.49	329.86	5.93	-40.56
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020197222	0	35	-1.0	-47.28	305.89	5.97	-41.31
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020197222	1	35	-1.0	-47.28	305.97	5.98	-41.30
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197223	0	36	-1.0	-54.70	324.12	1.82	-52.88
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197223	1	36	-1.0	-54.72	324.20	1.84	-52.88
COC1=CC=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=N1	REAL300020197224	0	37	-1.0	-42.32	311.24	1.86	-40.46
COC1=CC=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=N1	REAL300020197224	1	37	-1.0	-42.36	311.31	1.87	-40.49
COC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020197225	0	36	-1.0	-42.95	313.99	4.10	-38.85
COC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020197225	1	36	-1.0	-43.01	314.06	4.12	-38.89
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197226	0	43	-1.0	-53.61	354.50	1.58	-52.03
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197226	1	43	-1.0	-53.62	354.57	1.60	-52.02
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197227	0	33	-1.0	-50.97	297.07	3.98	-46.99
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197227	1	33	-1.0	-51.02	297.00	3.97	-47.05
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020197228	0	36	-1.0	-42.28	335.28	4.97	-37.31
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020197228	1	36	-1.0	-42.27	335.35	4.97	-37.30
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197229	0	39	-1.0	-50.17	340.10	4.22	-45.95
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197229	1	39	-1.0	-50.17	340.18	4.23	-45.94
O=C(CSC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197230	0	34	-1.0	-44.98	315.98	5.77	-39.21
O=C(CSC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197230	1	34	-1.0	-44.99	316.06	5.77	-39.22
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1I	REAL300020197231	0	34	-1.0	-41.36	306.19	4.01	-37.35
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1I	REAL300020197231	1	34	-1.0	-41.37	306.27	4.02	-37.35
COCC1=CN=C(OC)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197232	0	40	-1.0	-45.96	335.44	0.86	-45.10
COCC1=CN=C(OC)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197232	1	40	-1.0	-45.96	335.36	0.86	-45.10
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197233	0	43	-1.0	-42.76	356.32	7.43	-35.33
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197233	1	43	-1.0	-42.86	356.39	7.45	-35.41
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=C(Br)C=C21	REAL300020197234	0	39	-1.0	-39.67	344.75	6.53	-33.14
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=C(Br)C=C21	REAL300020197234	1	39	-1.0	-39.66	344.82	6.54	-33.12
COC1=CC=C(C(C)=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197235	0	41	-1.0	-42.60	339.33	5.37	-37.23
COC1=CC=C(C(C)=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197235	1	41	-1.0	-42.59	339.41	5.38	-37.21
CC1(C)OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020197236	0	39	-1.0	-45.62	318.17	3.84	-41.78
CC1(C)OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020197236	1	39	-1.0	-45.59	318.25	3.85	-41.74
COC1=CC=C(C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)F)C=C1	REAL300020197237	0	43	-1.0	-42.89	353.92	5.44	-37.45
COC1=CC=C(C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)F)C=C1	REAL300020197237	1	43	-1.0	-42.91	353.99	5.45	-37.46
COC1=CC2=C(OCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197238	0	39	-1.0	-46.86	319.76	2.90	-43.96
COC1=CC2=C(OCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197238	1	39	-1.0	-46.84	319.84	2.91	-43.93
CC1=CC(=O)N(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020197239	0	38	-1.0	-49.04	322.55	4.18	-44.86
CC1=CC(=O)N(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020197239	1	38	-1.0	-49.07	322.62	4.19	-44.88
O=C(C1=C2OC=CC2=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020197240	0	33	-1.0	-47.41	303.28	4.72	-42.69
O=C(C1=C2OC=CC2=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020197240	1	33	-1.0	-47.38	303.35	4.72	-42.66
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C2=CC=C(F)C=C2)S1	REAL300020197241	0	39	-1.0	-43.17	345.15	6.04	-37.13
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C2=CC=C(F)C=C2)S1	REAL300020197241	1	39	-1.0	-43.17	345.22	6.05	-37.12
CC1=CSC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=CN=C12	REAL300020197242	0	34	-1.0	-42.05	301.22	4.49	-37.56
CC1=CSC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=CN=C12	REAL300020197242	1	34	-1.0	-42.01	301.15	4.48	-37.53
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197243	0	44	-1.0	-41.08	357.62	4.22	-36.86
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197243	1	44	-1.0	-41.07	357.70	4.24	-36.83
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020197244	0	47	-1.0	-56.63	382.63	2.30	-54.33
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020197244	1	47	-1.0	-56.65	382.71	2.31	-54.34
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197245	0	51	-1.0	-52.25	405.86	4.66	-47.59
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197245	1	51	-1.0	-52.29	405.94	4.66	-47.63
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197246	0	50	-1.0	-43.37	388.99	3.49	-39.88
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197246	1	50	-1.0	-43.41	389.07	3.49	-39.92
CC(C)(C)OC(=O)NC(CC1=CC=CS1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197247	0	50	-1.0	-40.91	399.73	3.87	-37.04
CC(C)(C)OC(=O)NC(CC1=CC=CS1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197247	1	50	-1.0	-40.94	399.81	3.87	-37.07
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197248	0	53	-1.0	-46.39	416.43	4.38	-42.01
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197248	1	53	-1.0	-46.42	416.50	4.40	-42.02
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197249	0	50	-1.0	-45.18	402.67	1.69	-43.49
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197249	1	50	-1.0	-45.17	402.75	1.69	-43.48
O=C(CC1=NN=C2COCCN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020197250	0	37	-1.0	-52.18	309.77	2.23	-49.95
O=C(CC1=NN=C2COCCN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020197250	1	37	-1.0	-52.14	309.84	2.23	-49.91
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(N)C(OC)=C1OC	REAL300020197251	0	44	-1.0	-42.14	360.84	1.10	-41.04
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(N)C(OC)=C1OC	REAL300020197251	1	44	-1.0	-42.16	360.91	1.12	-41.04
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197252	0	32	-1.0	-38.22	297.15	2.90	-35.32
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197252	1	32	-1.0	-38.21	297.22	2.92	-35.29
NC1=CC=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197253	0	32	-1.0	-40.60	287.56	2.39	-38.21
NC1=CC=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197253	1	32	-1.0	-40.60	287.63	2.40	-38.20
NC1=CC=C(I)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197254	0	32	-1.0	-40.34	294.04	2.87	-37.47
NC1=CC=C(I)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197254	1	32	-1.0	-40.37	294.11	2.88	-37.49
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1C(F)(F)F	REAL300020197255	0	35	-1.0	-40.94	300.08	2.99	-37.95
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1C(F)(F)F	REAL300020197255	1	35	-1.0	-40.98	300.15	2.99	-37.99
CC1=CC(Br)=C(N)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197256	0	35	-1.0	-40.03	305.93	3.19	-36.84
CC1=CC(Br)=C(N)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197256	1	35	-1.0	-40.02	305.99	3.21	-36.81
NC1=C(Br)C=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197257	0	32	-1.0	-38.29	290.93	2.60	-35.69
NC1=C(Br)C=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197257	1	32	-1.0	-38.34	291.01	2.62	-35.72
NC1=C(Br)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197258	0	32	-1.0	-40.70	284.54	2.49	-38.21
NC1=C(Br)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197258	1	32	-1.0	-40.70	284.62	2.50	-38.20
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC(Cl)=C1Cl	REAL300020197259	0	32	-1.0	-39.11	295.36	2.86	-36.25
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC(Cl)=C1Cl	REAL300020197259	1	32	-1.0	-39.16	295.44	2.86	-36.30
NC1=C(I)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197260	0	32	-1.0	-40.48	290.49	2.97	-37.51
NC1=C(I)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197260	1	32	-1.0	-40.46	290.56	2.97	-37.49
NC1=C(F)C=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197261	0	32	-1.0	-38.23	292.79	2.54	-35.69
NC1=C(F)C=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197261	1	32	-1.0	-38.24	292.87	2.55	-35.69
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197262	0	35	-1.0	-40.95	304.53	2.82	-38.13
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197262	1	35	-1.0	-40.93	304.61	2.82	-38.11
CC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020197263	0	35	-1.0	-40.35	305.23	3.17	-37.18
CC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020197263	1	35	-1.0	-40.33	305.30	3.17	-37.16
NC1=CC(F)=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197264	0	32	-1.0	-39.04	293.04	2.46	-36.58
NC1=CC(F)=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197264	1	32	-1.0	-39.09	293.11	2.46	-36.63
CC1=CC(Cl)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020197265	0	35	-1.0	-40.46	300.66	3.06	-37.40
CC1=CC(Cl)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020197265	1	35	-1.0	-40.46	300.73	3.07	-37.39
CC1=CC(Cl)=C(N)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197266	0	35	-1.0	-40.12	301.82	3.06	-37.06
CC1=CC(Cl)=C(N)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197266	1	35	-1.0	-40.14	301.89	3.07	-37.07
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197267	0	32	-1.0	-39.12	288.63	2.36	-36.76
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197267	1	32	-1.0	-39.19	288.70	2.36	-36.83
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197268	0	32	-1.0	-38.17	301.25	3.04	-35.13
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197268	1	32	-1.0	-38.16	301.32	3.05	-35.11
CC1=CN(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(N)C=C2F)N=C1	REAL300020197269	0	42	-1.0	-43.12	349.73	3.64	-39.48
CC1=CN(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(N)C=C2F)N=C1	REAL300020197269	1	42	-1.0	-43.12	349.66	3.64	-39.48
COC1=CC(N)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(C)(=O)=O	REAL300020197270	0	42	-1.0	-49.33	352.84	-0.79	-50.12
COC1=CC(N)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(C)(=O)=O	REAL300020197270	1	42	-1.0	-49.35	352.91	-0.79	-50.14
CC1=C(Br)C=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020197271	0	35	-1.0	-39.76	301.63	3.10	-36.66
CC1=C(Br)C=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020197271	1	35	-1.0	-39.74	301.70	3.11	-36.63
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(N)=C1Cl	REAL300020197272	0	35	-1.0	-40.74	298.90	2.97	-37.77
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(N)=C1Cl	REAL300020197272	1	35	-1.0	-40.72	298.97	2.97	-37.75
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197273	0	32	-1.0	-38.41	286.84	2.47	-35.94
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197273	1	32	-1.0	-38.37	286.91	2.48	-35.89
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(N)=C1F	REAL300020197274	0	36	-1.0	-42.58	300.53	1.24	-41.34
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(N)=C1F	REAL300020197274	1	36	-1.0	-42.57	300.60	1.24	-41.33
COC1=C(F)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(N)=C1F	REAL300020197275	0	36	-1.0	-39.43	310.94	1.39	-38.04
COC1=C(F)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(N)=C1F	REAL300020197275	1	36	-1.0	-39.44	311.02	1.39	-38.05
NC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020197276	0	34	-1.0	-40.72	299.32	0.53	-40.19
NC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020197276	1	34	-1.0	-40.71	299.39	0.55	-40.16
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197277	0	32	-1.0	-39.01	297.92	2.76	-36.25
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197277	1	32	-1.0	-39.01	298.00	2.77	-36.24
NC1=CC(Br)=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197278	0	32	-1.0	-39.19	293.04	2.46	-36.73
NC1=CC(Br)=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197278	1	32	-1.0	-39.21	293.11	2.47	-36.74
COC1=CC(Br)=C(N)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197279	0	36	-1.0	-40.42	314.18	1.76	-38.66
COC1=CC(Br)=C(N)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197279	1	36	-1.0	-40.40	314.24	1.78	-38.62
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC(Cl)=C1F	REAL300020197280	0	32	-1.0	-40.60	287.83	2.36	-38.24
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC(Cl)=C1F	REAL300020197280	1	32	-1.0	-40.62	287.90	2.37	-38.25
COC1=CC(N)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020197281	0	36	-1.0	-41.56	315.87	1.78	-39.78
COC1=CC(N)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020197281	1	36	-1.0	-41.56	315.94	1.79	-39.77
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC(Br)=C1F	REAL300020197282	0	32	-1.0	-40.39	292.23	2.46	-37.93
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC(Br)=C1F	REAL300020197282	1	32	-1.0	-40.41	292.31	2.46	-37.95
COC1=CC(OC)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(N)=C1Cl	REAL300020197283	0	40	-1.0	-44.58	345.35	1.10	-43.48
COC1=CC(OC)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(N)=C1Cl	REAL300020197283	1	40	-1.0	-44.57	345.42	1.10	-43.47
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197284	0	29	-1.0	-39.14	286.03	3.71	-35.43
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197284	1	29	-1.0	-39.13	285.95	3.69	-35.44
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197285	0	45	-1.0	-49.57	383.46	-1.75	-51.32
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197285	1	45	-1.0	-49.49	383.53	-1.74	-51.23
O=C(C1=C(Cl)C=CC2=CC=NC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197286	0	35	-1.0	-46.79	315.90	4.74	-42.05
O=C(C1=C(Cl)C=CC2=CC=NC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197286	1	35	-1.0	-46.77	315.83	4.72	-42.05
CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197287	0	54	-1.0	-48.23	405.16	2.58	-45.65
CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197287	1	54	-1.0	-48.22	405.23	2.60	-45.62
O=C(CCC1=C(Br)SC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197288	0	33	-1.0	-42.53	311.18	5.14	-37.39
O=C(CCC1=C(Br)SC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197288	1	33	-1.0	-42.52	311.26	5.15	-37.37
CN1C=C(Br)C(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197289	0	33	-1.0	-63.64	307.44	3.82	-59.82
CN1C=C(Br)C(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197289	1	33	-1.0	-63.63	307.51	3.82	-59.81
CC(=O)CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020197290	0	55	-1.0	-60.93	416.71	5.41	-55.52
CC(=O)CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020197290	1	55	-1.0	-60.89	416.79	5.43	-55.46
CC(C)(C)OC1CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020197291	0	52	-1.0	-46.11	394.07	6.10	-40.01
CC(C)(C)OC1CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020197291	1	52	-1.0	-46.11	394.14	6.11	-40.00
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=NNN=C2)CCOCC1	REAL300020197292	0	43	-1.0	-50.30	325.45	0.47	-49.83
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=NNN=C2)CCOCC1	REAL300020197292	1	43	-1.0	-50.31	325.52	0.48	-49.83
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020197293	0	32	-1.0	-44.16	296.88	5.04	-39.12
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020197293	1	32	-1.0	-44.17	296.80	5.02	-39.15
O=C(C1CC2=CC=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197294	0	38	-1.0	-41.32	309.36	2.86	-38.46
O=C(C1CC2=CC=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197294	1	38	-1.0	-41.34	309.44	2.87	-38.47
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC=C(F)C=C21	REAL300020197295	0	37	-1.0	-41.71	308.36	4.85	-36.86
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC=C(F)C=C21	REAL300020197295	1	37	-1.0	-41.69	308.43	4.86	-36.83
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197296	0	37	-1.0	-42.91	321.62	5.85	-37.06
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197296	1	37	-1.0	-42.97	321.70	5.85	-37.12
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300020197297	0	41	-1.0	-40.75	347.98	4.56	-36.19
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300020197297	1	41	-1.0	-40.75	348.05	4.57	-36.18
O=C(C1=C(CN2CCOCC2)C=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197298	0	43	-1.0	-43.82	345.61	1.24	-42.58
O=C(C1=C(CN2CCOCC2)C=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197298	1	43	-1.0	-43.84	345.69	1.24	-42.60
O=C(C1CC2CC(O)CC(C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197299	0	44	-1.0	-43.21	325.27	2.56	-40.65
O=C(C1CC2CC(O)CC(C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197299	1	44	-1.0	-43.18	325.34	2.57	-40.61
O=C(C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197300	0	40	-2.0	-77.31	353.06	4.27	-73.04
O=C(C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197300	1	40	-2.0	-77.31	353.13	4.29	-73.02
O=C(C1=CC2=C(N1)SC(Br)=N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197301	0	30	-1.0	-41.36	291.07	1.87	-39.49
O=C(C1=CC2=C(N1)SC(Br)=N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197301	1	30	-1.0	-41.40	291.14	1.88	-39.52
O=C(C1=CC(C2=CC=NC=C2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197302	0	36	-1.0	-42.16	307.36	2.33	-39.83
O=C(C1=CC(C2=CC=NC=C2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197302	1	36	-1.0	-42.23	307.43	2.34	-39.89
CC1=NSC(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197303	0	29	-1.0	-38.45	286.25	2.79	-35.66
CC1=NSC(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197303	1	29	-1.0	-38.44	286.32	2.80	-35.64
CC1=CN2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2=N1	REAL300020197304	0	40	-1.0	-44.08	322.75	4.68	-39.40
CC1=CN2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2=N1	REAL300020197304	1	40	-1.0	-44.05	322.82	4.69	-39.36
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197305	0	32	-1.0	-42.64	299.38	4.14	-38.50
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197305	1	32	-1.0	-42.61	299.30	4.13	-38.48
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020197306	0	40	-1.0	-46.61	348.48	4.05	-42.56
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020197306	1	40	-1.0	-46.57	348.55	4.07	-42.50
NC1=C(Br)C=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197307	0	31	-1.0	-39.30	279.99	0.62	-38.68
NC1=C(Br)C=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197307	1	31	-1.0	-39.32	280.06	0.64	-38.68
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197308	0	40	0.0	-79.84	323.76	1.91	-77.93
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197308	1	40	0.0	-79.86	323.83	1.92	-77.94
O=C(CCN1CCCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197309	0	45	-1.0	-44.98	350.80	5.24	-39.74
O=C(CCN1CCCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197309	1	45	-1.0	-44.95	350.88	5.26	-39.69
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197310	0	47	-1.0	-48.59	378.26	-0.02	-48.61
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197310	1	47	-1.0	-48.62	378.34	0.00	-48.62
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(NC(=O)OC(C)(C)C)O1	REAL300020197311	0	46	-1.0	-42.95	374.92	0.71	-42.24
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(NC(=O)OC(C)(C)C)O1	REAL300020197311	1	46	-1.0	-42.95	375.00	0.72	-42.23
O=C(C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020197312	0	32	-1.0	-49.48	312.24	5.31	-44.17
O=C(C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020197312	1	32	-1.0	-49.53	312.31	5.32	-44.21
NS(=O)(=O)C1=CC2=C(SC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)S1	REAL300020197313	0	35	-1.0	-46.27	335.74	-0.81	-47.08
NS(=O)(=O)C1=CC2=C(SC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)S1	REAL300020197313	1	35	-1.0	-46.25	335.81	-0.80	-47.05
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020197314	0	40	-1.0	-48.18	343.30	5.18	-43.00
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020197314	1	40	-1.0	-48.20	343.37	5.20	-43.00
O=C(C(O)CC1=CC=NC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020197315	0	36	-1.0	-38.68	314.82	1.75	-36.93
O=C(C(O)CC1=CC=NC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020197315	1	36	-1.0	-38.65	314.89	1.75	-36.90
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CN=C2)CC(F)(F)C1	REAL300020197316	0	39	-1.0	-44.40	320.79	4.18	-40.22
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CN=C2)CC(F)(F)C1	REAL300020197316	1	39	-1.0	-44.44	320.72	4.16	-40.28
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197317	0	47	-1.0	-45.76	374.21	0.03	-45.73
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197317	1	47	-1.0	-45.78	374.28	0.05	-45.73
O=C(C1=CC=C(Br)C(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197318	0	32	-1.0	-39.55	305.63	4.23	-35.32
O=C(C1=CC=C(Br)C(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197318	1	32	-1.0	-39.53	305.56	4.21	-35.32
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197319	0	38	-2.0	-94.75	322.65	-2.02	-96.77
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197319	1	38	-2.0	-94.70	322.73	-2.02	-96.72
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020197320	0	51	-1.0	-57.20	401.45	5.09	-52.11
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020197320	1	51	-1.0	-57.25	401.52	5.10	-52.15
CC1=C(I)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020197321	0	29	-1.0	-40.54	278.99	3.36	-37.18
CC1=C(I)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020197321	1	29	-1.0	-40.52	279.06	3.36	-37.16
CC(C)(C)OC(=O)N1CC(C2=NOC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197322	0	50	-1.0	-48.11	402.33	4.16	-43.95
CC(C)(C)OC(=O)N1CC(C2=NOC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197322	1	50	-1.0	-48.14	402.40	4.18	-43.96
CC1(C2=NOC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)COC1	REAL300020197323	0	37	-1.0	-43.03	303.67	1.57	-41.46
CC1(C2=NOC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)COC1	REAL300020197323	1	37	-1.0	-43.02	303.60	1.57	-41.45
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020197324	0	45	-1.0	-49.68	360.16	4.14	-45.54
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020197324	1	45	-1.0	-49.72	360.24	4.15	-45.57
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197325	0	44	-1.0	-41.27	361.34	2.06	-39.21
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197325	1	44	-1.0	-41.32	361.42	2.06	-39.26
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H](O)C1	REAL300020197326	0	51	-1.0	-53.65	401.23	1.47	-52.18
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H](O)C1	REAL300020197326	1	51	-1.0	-53.68	401.30	1.48	-52.20
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020197327	0	51	-1.0	-57.20	401.45	5.09	-52.11
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020197327	1	51	-1.0	-57.25	401.52	5.10	-52.15
COC(CF)(OC)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197328	0	44	-1.0	-44.88	351.73	4.03	-40.85
COC(CF)(OC)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197328	1	44	-1.0	-44.85	351.80	4.04	-40.81
CCOC(=O)CCC(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197329	0	38	-1.0	-41.33	326.47	4.21	-37.12
CCOC(=O)CCC(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197329	1	38	-1.0	-41.39	326.54	4.22	-37.17
COC1=CC(OC)=C(N)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197330	0	40	-1.0	-43.05	324.03	0.49	-42.56
COC1=CC(OC)=C(N)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197330	1	40	-1.0	-43.05	324.11	0.50	-42.55
COC(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020197331	0	39	-1.0	-46.06	334.79	5.02	-41.04
COC(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020197331	1	39	-1.0	-46.08	334.87	5.02	-41.06
C[C@H](C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C2OCOC2=C1	REAL300020197332	0	39	-1.0	-37.95	322.44	3.79	-34.16
C[C@H](C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C2OCOC2=C1	REAL300020197332	1	39	-1.0	-37.93	322.51	3.79	-34.14
CS(=O)(=O)N1CCC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197333	0	45	-1.0	-52.01	372.03	1.24	-50.77
CS(=O)(=O)N1CCC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197333	1	45	-1.0	-52.06	372.11	1.25	-50.81
CC1=CN(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)N=C1	REAL300020197334	0	40	-1.0	-46.12	330.39	5.44	-40.68
CC1=CN(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)N=C1	REAL300020197334	1	40	-1.0	-46.08	330.31	5.43	-40.65
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197335	0	39	-1.0	-43.73	330.76	6.01	-37.72
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197335	1	39	-1.0	-43.75	330.83	6.03	-37.72
N#CC1=CC=CC=C1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197336	0	41	-1.0	-47.01	347.83	7.27	-39.74
N#CC1=CC=CC=C1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197336	1	41	-1.0	-47.00	347.90	7.29	-39.71
O=C(C1=CC=CC2=CC(F)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197337	0	36	-1.0	-44.42	304.26	6.02	-38.40
O=C(C1=CC=CC2=CC(F)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197337	1	36	-1.0	-44.44	304.33	6.03	-38.41
CN1C(Br)=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197338	0	30	-1.0	-38.77	275.15	3.32	-35.45
CN1C(Br)=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197338	1	30	-1.0	-38.76	275.08	3.30	-35.46
O=C(C1=NN(CC(F)(F)F)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020197339	0	33	-1.0	-48.62	317.31	3.98	-44.64
O=C(C1=NN(CC(F)(F)F)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020197339	1	33	-1.0	-48.64	317.24	3.97	-44.67
O=C(CCC1=CSC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197340	0	33	-1.0	-41.99	313.78	5.24	-36.75
O=C(CCC1=CSC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197340	1	33	-1.0	-41.99	313.85	5.24	-36.75
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(CC2=CC=CC=C2)N1	REAL300020197341	0	47	-1.0	-46.30	379.85	7.19	-39.11
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(CC2=CC=CC=C2)N1	REAL300020197341	1	47	-1.0	-46.33	379.92	7.20	-39.13
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020197342	0	37	-1.0	-45.06	343.53	7.10	-37.96
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020197342	1	37	-1.0	-45.06	343.61	7.11	-37.95
O=C(C1=CC=NN1C1CC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197343	0	34	-1.0	-42.70	293.05	3.40	-39.30
O=C(C1=CC=NN1C1CC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197343	1	34	-1.0	-42.72	292.98	3.39	-39.33
CCOC1=CC=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020197344	0	44	-1.0	-43.14	353.34	4.99	-38.15
CCOC1=CC=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020197344	1	44	-1.0	-43.18	353.42	5.00	-38.18
CCC1=CC=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020197345	0	43	-1.0	-42.07	344.79	6.21	-35.86
CCC1=CC=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020197345	1	43	-1.0	-42.08	344.87	6.23	-35.85
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC(C)=CC(C)=C21	REAL300020197346	0	43	-1.0	-42.40	337.62	5.89	-36.51
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC(C)=CC(C)=C21	REAL300020197346	1	43	-1.0	-42.41	337.69	5.90	-36.51
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC=C(C(C)C)C=C21	REAL300020197347	0	46	-1.0	-41.82	361.98	6.69	-35.13
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC=C(C(C)C)C=C21	REAL300020197347	1	46	-1.0	-41.84	362.05	6.71	-35.13
COC1=CC=CC(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197348	0	34	-1.0	-47.44	309.08	3.79	-43.65
COC1=CC=CC(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197348	1	34	-1.0	-47.44	309.15	3.80	-43.64
O=C(C1=C(F)C=CC(Br)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020197349	0	30	-1.0	-43.78	301.23	4.97	-38.81
O=C(C1=C(F)C=CC(Br)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020197349	1	30	-1.0	-43.80	301.31	4.98	-38.82
CC1=CC(CC2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)=CC=C1F	REAL300020197350	0	43	-1.0	-47.57	355.38	7.24	-40.33
CC1=CC(CC2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)=CC=C1F	REAL300020197350	1	43	-1.0	-47.61	355.45	7.24	-40.37
CC1=CC(F)=CC=C1CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197351	0	43	-1.0	-45.07	339.85	6.59	-38.48
CC1=CC(F)=CC=C1CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197351	1	43	-1.0	-45.08	339.93	6.61	-38.47
O=C([C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197352	0	43	-1.0	-46.32	337.04	6.78	-39.54
O=C([C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197352	1	43	-1.0	-46.37	337.12	6.78	-39.59
C#CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020197353	0	55	-1.0	-47.54	410.76	5.84	-41.70
C#CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)CC1	REAL300020197353	1	55	-1.0	-47.54	410.83	5.85	-41.69
COC(=O)C1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=CC=C1	REAL300020197354	0	39	-1.0	-50.48	340.09	5.68	-44.80
COC(=O)C1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=CC=C1	REAL300020197354	1	39	-1.0	-50.45	340.16	5.69	-44.76
COC(=O)C1=NC=CC=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197355	0	41	-1.0	-48.58	344.09	4.19	-44.39
COC(=O)C1=NC=CC=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197355	1	41	-1.0	-48.57	344.02	4.17	-44.40
CC12CC3(C)CC(O)(C1)CC(C(=O)N1CCC(C4=N[N-]N=N4)C1)(C2)C3	REAL300020197356	0	51	-1.0	-44.36	361.24	3.05	-41.31
CC12CC3(C)CC(O)(C1)CC(C(=O)N1CCC(C4=NN=N[N-]4)C1)(C2)C3	REAL300020197356	1	51	-1.0	-44.37	361.32	3.06	-41.31
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197357	0	50	-1.0	-46.02	394.11	3.41	-42.61
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197357	1	50	-1.0	-46.04	394.18	3.42	-42.62
CNC(=O)C1=CN=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197358	0	40	-1.0	-50.49	341.40	1.74	-48.75
CNC(=O)C1=CN=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197358	1	40	-1.0	-50.44	341.47	1.74	-48.70
O=C(C=CC1=CC=NC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197359	0	33	-1.0	-45.21	301.81	3.92	-41.29
O=C(C=CC1=CC=NC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197359	1	33	-1.0	-45.21	301.89	3.93	-41.28
COC1=CC=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020197360	0	39	-1.0	-42.71	321.02	1.73	-40.98
COC1=CC=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020197360	1	39	-1.0	-42.69	321.09	1.74	-40.95
O=C(C=CC1=CC=NC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020197361	0	39	-1.0	-46.67	328.64	5.53	-41.14
O=C(C=CC1=CC=NC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020197361	1	39	-1.0	-46.67	328.71	5.55	-41.12
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197362	0	37	-1.0	-42.91	321.62	5.85	-37.06
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197362	1	37	-1.0	-42.97	321.70	5.85	-37.12
NS(=O)(=O)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197363	0	41	-1.0	-44.62	334.37	-0.89	-45.51
NS(=O)(=O)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197363	1	41	-1.0	-44.65	334.44	-0.88	-45.53
O=C(C1=CC(C2=CC=CC=C2F)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197364	0	36	-1.0	-42.87	316.46	5.06	-37.81
O=C(C1=CC(C2=CC=CC=C2F)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197364	1	36	-1.0	-42.83	316.38	5.06	-37.77
O=C(C(O)C1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197365	0	34	-1.0	-42.21	302.54	2.96	-39.25
O=C(C(O)C1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197365	1	34	-1.0	-42.15	302.61	2.97	-39.18
CC1=CC=CC(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197366	0	36	-1.0	-39.54	308.41	5.33	-34.21
CC1=CC=CC(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197366	1	36	-1.0	-39.53	308.49	5.34	-34.19
COC1=CSC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020197367	0	35	-1.0	-45.66	302.91	2.70	-42.96
COC1=CSC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020197367	1	35	-1.0	-45.66	302.98	2.71	-42.95
O=C(C1=CC=C(Br)C2=CC=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020197368	0	35	-1.0	-48.09	313.12	4.82	-43.27
O=C(C1=CC=C(Br)C2=CC=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020197368	1	35	-1.0	-48.06	313.04	4.81	-43.25
CSC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020197369	0	37	-1.0	-45.91	338.28	6.20	-39.71
CSC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020197369	1	37	-1.0	-45.96	338.36	6.22	-39.74
CC1=CC2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020197370	0	38	-1.0	-45.47	312.70	4.61	-40.86
CC1=CC2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020197370	1	38	-1.0	-45.48	312.77	4.62	-40.86
COC1=C(F)C=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020197371	0	34	-1.0	-45.32	299.26	3.26	-42.06
COC1=C(F)C=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020197371	1	34	-1.0	-45.36	299.33	3.27	-42.09
O=C(C1=CC(=O)N(CC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197372	0	36	-1.0	-49.57	324.04	4.02	-45.55
O=C(C1=CC(=O)N(CC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197372	1	36	-1.0	-49.59	324.11	4.03	-45.56
O=C(C1=CN=CC(C2=COC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197373	0	36	-1.0	-44.65	304.26	3.40	-41.25
O=C(C1=CN=CC(C2=COC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197373	1	36	-1.0	-44.67	304.18	3.39	-41.28
C[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020197374	0	43	-1.0	-42.82	361.54	5.78	-37.04
C[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020197374	1	43	-1.0	-42.80	361.62	5.79	-37.01
CC1(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCS1(=O)=O	REAL300020197375	0	39	-1.0	-51.93	312.04	0.80	-51.13
CC1(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCS1(=O)=O	REAL300020197375	1	39	-1.0	-51.93	312.11	0.81	-51.12
COC1=CC(F)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020197376	0	36	-1.0	-40.68	300.98	1.24	-39.44
COC1=CC(F)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020197376	1	36	-1.0	-40.64	301.06	1.26	-39.38
CC(C)N1C=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020197377	0	39	-1.0	-49.00	321.01	4.25	-44.75
CC(C)N1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020197377	1	39	-1.0	-49.01	321.08	4.27	-44.74
O=C(CCCCN1C(=O)CCC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197378	0	42	-1.0	-51.44	350.47	3.80	-47.64
O=C(CCCCN1C(=O)CCC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197378	1	42	-1.0	-51.41	350.55	3.82	-47.59
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)C1=CC=C(F)C=C1	REAL300020197379	0	42	-1.0	-45.00	340.77	6.34	-38.66
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)C1=CC=C(F)C=C1	REAL300020197379	1	42	-1.0	-45.01	340.84	6.35	-38.66
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)COC1	REAL300020197380	0	48	-1.0	-44.52	368.88	1.35	-43.17
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)COC1	REAL300020197380	1	48	-1.0	-44.55	368.95	1.35	-43.20
O=C(C1COC2=C(Br)C=CC=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197381	0	38	-1.0	-37.99	329.98	5.13	-32.86
O=C(C1COC2=C(Br)C=CC=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197381	1	38	-1.0	-37.97	330.06	5.14	-32.83
CN1C=CC(N2C=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020197382	0	37	-1.0	-51.30	320.12	5.66	-45.64
CN1C=CC(N2C=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020197382	1	37	-1.0	-51.27	320.04	5.66	-45.61
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197383	0	37	-1.0	-41.81	315.21	5.77	-36.04
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197383	1	37	-1.0	-41.81	315.28	5.79	-36.02
CCCCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020197384	0	38	-1.0	-42.55	326.37	4.45	-38.10
CCCCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020197384	1	38	-1.0	-42.57	326.44	4.47	-38.10
O=C(CF)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197385	0	35	-1.0	-47.48	298.70	4.20	-43.28
O=C(CF)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197385	1	35	-1.0	-47.45	298.78	4.21	-43.24
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C#N)C=C1F	REAL300020197386	0	39	-1.0	-47.54	337.58	4.25	-43.29
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C#N)C=C1F	REAL300020197386	1	39	-1.0	-47.51	337.65	4.26	-43.25
CCC1=NC2=CC=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197387	0	41	-1.0	-42.74	335.05	5.45	-37.29
CCC1=NC2=CC=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197387	1	41	-1.0	-42.76	335.12	5.46	-37.30
CCCN1C(=O)CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1C1=CC=CC=C1	REAL300020197388	0	50	-1.0	-44.16	391.52	7.00	-37.16
CCCN1C(=O)CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1C1=CC=CC=C1	REAL300020197388	1	50	-1.0	-44.13	391.60	7.01	-37.12
COC1=CC=C(F)C=C1CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197389	0	44	-1.0	-44.86	361.98	5.95	-38.91
COC1=CC=C(F)C=C1CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197389	1	44	-1.0	-44.84	362.06	5.96	-38.88
N#CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1C(F)(F)F	REAL300020197390	0	31	-1.0	-42.43	274.90	3.47	-38.96
N#CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1C(F)(F)F	REAL300020197390	1	31	-1.0	-42.46	274.98	3.48	-38.98
O=C(C1=C(Cl)C=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197391	0	33	-1.0	-45.67	302.02	3.03	-42.64
O=C(C1=C(Cl)C=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197391	1	33	-1.0	-45.66	302.09	3.05	-42.61
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CC(F)(F)CC1CCCC2	REAL300020197392	0	43	-1.0	-44.99	317.44	5.23	-39.76
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CC(F)(F)CC1CCCC2	REAL300020197392	1	43	-1.0	-45.03	317.51	5.25	-39.78
CC1=CC=CC(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020197393	0	39	-1.0	-40.02	333.41	5.60	-34.42
CC1=CC=CC(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020197393	1	39	-1.0	-39.99	333.33	5.60	-34.39
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197394	0	36	-1.0	-38.79	328.67	5.45	-33.34
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197394	1	36	-1.0	-38.78	328.60	5.45	-33.33
O=C(C1=CC(C2=CC=CC=C2Cl)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197395	0	36	-1.0	-41.59	324.33	5.61	-35.98
O=C(C1=CC(C2=CC=CC=C2Cl)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197395	1	36	-1.0	-41.56	324.26	5.60	-35.96
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020197396	0	50	-1.0	-44.92	384.67	3.02	-41.90
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020197396	1	50	-1.0	-44.92	384.75	3.04	-41.88
CC1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020197397	0	55	-1.0	-43.97	424.93	2.41	-41.56
CC1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020197397	1	55	-1.0	-43.96	425.00	2.42	-41.54
CC(C)(C)OC(=O)NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(Cl)=C1	REAL300020197398	0	44	-1.0	-40.19	374.66	3.77	-36.42
CC(C)(C)OC(=O)NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(Cl)=C1	REAL300020197398	1	44	-1.0	-40.24	374.73	3.77	-36.47
COC(=O)[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020197399	0	49	-1.0	-50.43	400.49	3.10	-47.33
COC(=O)[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020197399	1	49	-1.0	-50.41	400.56	3.11	-47.30
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC12CC2	REAL300020197400	0	57	-1.0	-44.97	430.22	6.79	-38.18
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC12CC2	REAL300020197400	1	57	-1.0	-44.94	430.30	6.80	-38.14
CC(C)(C)OC(=O)NC1=CC=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020197401	0	51	-1.0	-47.96	406.50	4.34	-43.62
CC(C)(C)OC(=O)NC1=CC=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020197401	1	51	-1.0	-47.93	406.57	4.34	-43.59
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CC3CC(CC(O)(C3)C1)C2	REAL300020197402	0	45	-1.0	-44.74	320.69	2.07	-42.67
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CC3CC(CC(O)(C3)C1)C2	REAL300020197402	1	45	-1.0	-44.76	320.77	2.07	-42.69
CC1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)N1C(=O)OC(C)(C)C	REAL300020197403	0	47	-1.0	-54.89	371.56	4.90	-49.99
CC1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)N1C(=O)OC(C)(C)C	REAL300020197403	1	47	-1.0	-54.90	371.63	4.90	-50.00
O=C(C1=CC2=NNC(=O)N2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197404	0	33	-1.0	-43.56	292.78	2.23	-41.33
O=C(C1=CC2=NNC(=O)N2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197404	1	33	-1.0	-43.54	292.86	2.25	-41.29
CC1=NSC(I)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197405	0	29	-1.0	-37.92	292.65	3.26	-34.66
CC1=NSC(I)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197405	1	29	-1.0	-37.93	292.73	3.26	-34.67
CN1C=CC(C2=NNC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020197406	0	37	-1.0	-55.54	312.05	1.76	-53.78
CN1C=CC(C2=NNC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020197406	1	37	-1.0	-55.57	312.12	1.78	-53.79
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC=C(C(F)(F)F)C=C21	REAL300020197407	0	40	-1.0	-41.39	340.91	5.78	-35.61
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC=C(C(F)(F)F)C=C21	REAL300020197407	1	40	-1.0	-41.43	340.98	5.79	-35.64
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=C(C)C=CC=C12	REAL300020197408	0	40	-1.0	-42.19	323.14	5.43	-36.76
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=C(C)C=CC=C12	REAL300020197408	1	40	-1.0	-42.23	323.22	5.44	-36.79
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(C2=CC=CC=C2)N1	REAL300020197409	0	41	-1.0	-44.73	332.67	5.67	-39.06
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(C2=CC=CC=C2)N1	REAL300020197409	1	41	-1.0	-44.73	332.74	5.68	-39.05
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(C2=CC=CC=C2)N1	REAL300020197410	0	44	-1.0	-44.78	354.05	6.39	-38.39
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(C2=CC=CC=C2)N1	REAL300020197410	1	44	-1.0	-44.80	354.12	6.40	-38.40
CCC1=CN2C(=N1)C=CC=C2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197411	0	39	-1.0	-45.80	329.52	5.60	-40.20
CCC1=CN2C(=N1)C=CC=C2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197411	1	39	-1.0	-45.86	329.59	5.61	-40.25
CCOC(=O)C12CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(C1)OC2	REAL300020197412	0	41	-1.0	-42.24	339.12	3.45	-38.79
CCOC(=O)C12CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(C1)OC2	REAL300020197412	1	41	-1.0	-42.29	339.19	3.45	-38.84
CC1(C)CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC(C)(C)O1	REAL300020197413	0	49	-1.0	-43.05	366.53	5.29	-37.76
CC1(C)CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC(C)(C)O1	REAL300020197413	1	49	-1.0	-43.05	366.60	5.30	-37.75
O=C(CC1CCN2C=NC=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197414	0	40	-1.0	-50.70	319.34	5.69	-45.01
O=C(CC1CCN2C=NC=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197414	1	40	-1.0	-50.68	319.42	5.70	-44.98
O=C(CCCCCN1C=NN=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197415	0	40	-1.0	-55.80	336.24	4.30	-51.50
O=C(CCCCCN1C=NN=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197415	1	40	-1.0	-55.78	336.16	4.28	-51.50
N#CC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020197416	0	37	-1.0	-44.60	340.10	6.40	-38.20
N#CC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020197416	1	37	-1.0	-44.63	340.17	6.42	-38.21
O=C(C1=CC=C2NC(=O)NCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197417	0	37	-1.0	-46.97	304.32	0.63	-46.34
O=C(C1=CC=C2NC(=O)NCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197417	1	37	-1.0	-47.00	304.40	0.65	-46.35
O=C(C(CC(F)(F)F)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197418	0	39	-1.0	-44.16	331.90	6.15	-38.01
O=C(C(CC(F)(F)F)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197418	1	39	-1.0	-44.13	331.97	6.16	-37.97
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC(F)=CC=C21	REAL300020197419	0	36	-1.0	-48.09	311.16	4.24	-43.85
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC(F)=CC=C21	REAL300020197419	1	36	-1.0	-48.09	311.09	4.23	-43.86
O=C(C1=COC2=C1CS(=O)(=O)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197420	0	34	-1.0	-52.73	298.80	-0.39	-53.12
O=C(C1=COC2=C1CS(=O)(=O)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197420	1	34	-1.0	-52.75	298.87	-0.38	-53.13
O=C(C1=CC=C(C2CCOC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197421	0	41	-1.0	-44.23	324.78	4.16	-40.07
O=C(C1=CC=C(C2CCOC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197421	1	41	-1.0	-44.24	324.85	4.17	-40.07
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CSC=C1Br	REAL300020197422	0	30	-1.0	-39.81	294.96	4.09	-35.72
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CSC=C1Br	REAL300020197422	1	30	-1.0	-39.82	295.03	4.10	-35.72
CN1C=C(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020197423	0	36	-1.0	-42.25	316.69	2.79	-39.46
CN1C=C(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020197423	1	36	-1.0	-42.22	316.62	2.78	-39.44
C=CCNC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197424	0	41	-1.0	-47.90	340.63	3.25	-44.65
C=CCNC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197424	1	41	-1.0	-47.89	340.70	3.26	-44.63
O=C(C1=CN=CC(C2=CC=CC=C2F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197425	0	39	-1.0	-43.19	330.80	5.45	-37.74
O=C(C1=CN=CC(C2=CC=CC=C2F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197425	1	39	-1.0	-43.17	330.73	5.44	-37.73
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC(C)=CC=C21	REAL300020197426	0	40	-1.0	-42.23	323.30	5.43	-36.80
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC(C)=CC=C21	REAL300020197426	1	40	-1.0	-42.23	323.37	5.44	-36.79
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300020197427	0	39	-1.0	-43.27	330.02	5.44	-37.83
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300020197427	1	39	-1.0	-43.27	330.10	5.45	-37.82
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC(Cl)=CC=C21	REAL300020197428	0	37	-1.0	-40.72	318.65	5.27	-35.45
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC(Cl)=CC=C21	REAL300020197428	1	37	-1.0	-40.70	318.72	5.29	-35.41
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC(F)=CC=C21	REAL300020197429	0	37	-1.0	-40.92	308.34	4.85	-36.07
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC(F)=CC=C21	REAL300020197429	1	37	-1.0	-40.94	308.42	4.86	-36.08
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC12CCC2	REAL300020197430	0	54	-1.0	-45.25	416.78	4.67	-40.58
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC12CCC2	REAL300020197430	1	54	-1.0	-45.28	416.86	4.68	-40.60
O=C(C1=CC(Br)=CC(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197431	0	30	-1.0	-41.86	287.41	4.45	-37.41
O=C(C1=CC(Br)=CC(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197431	1	30	-1.0	-41.91	287.48	4.46	-37.45
C[C@@H]1CCC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)N1C(=O)OC(C)(C)C	REAL300020197432	0	53	-1.0	-53.01	392.79	6.12	-46.89
C[C@@H]1CCC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)N1C(=O)OC(C)(C)C	REAL300020197432	1	53	-1.0	-52.98	392.86	6.13	-46.85
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197433	0	54	-1.0	-52.72	406.10	6.17	-46.55
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197433	1	54	-1.0	-52.68	406.16	6.18	-46.50
O=C(C1=CC=CC(F)=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197434	0	33	-1.0	-49.83	292.21	4.62	-45.21
O=C(C1=CC=CC(F)=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197434	1	33	-1.0	-49.80	292.28	4.63	-45.17
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197435	0	54	-1.0	-40.95	403.79	5.21	-35.74
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197435	1	54	-1.0	-40.96	403.85	5.22	-35.74
O=C(C1=C2SN=CC2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197436	0	32	-1.0	-50.60	285.86	3.92	-46.68
O=C(C1=C2SN=CC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197436	1	32	-1.0	-50.58	285.79	3.90	-46.68
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCO1	REAL300020197437	0	54	-1.0	-40.48	406.25	2.69	-37.79
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCO1	REAL300020197437	1	54	-1.0	-40.46	406.33	2.70	-37.76
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020197438	0	54	-1.0	-44.59	409.69	5.45	-39.14
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020197438	1	54	-1.0	-44.64	409.76	5.46	-39.18
CCC(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020197439	0	52	-1.0	-43.47	402.32	3.95	-39.52
CCC(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020197439	1	52	-1.0	-43.43	402.40	3.96	-39.47
O=C(C1=C2SC=CC2=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197440	0	33	-1.0	-42.99	296.64	5.13	-37.86
O=C(C1=C2SC=CC2=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197440	1	33	-1.0	-43.02	296.72	5.13	-37.89
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=CC=CC=C1	REAL300020197441	0	43	-1.0	-46.09	346.02	7.62	-38.47
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=CC=CC=C1	REAL300020197441	1	43	-1.0	-46.05	346.09	7.63	-38.42
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197442	0	50	-1.0	-48.42	397.52	3.83	-44.59
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197442	1	50	-1.0	-48.45	397.59	3.85	-44.60
CC1=C(F)C=CC(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197443	0	33	-1.0	-41.26	304.66	5.01	-36.25
CC1=C(F)C=CC(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197443	1	33	-1.0	-41.28	304.74	5.01	-36.27
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197444	0	43	-1.0	-43.53	346.42	7.74	-35.79
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197444	1	43	-1.0	-43.57	346.50	7.74	-35.83
O=C(C1=COC2=C(Br)C=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020197445	0	33	-1.0	-44.98	300.11	4.66	-40.32
O=C(C1=COC2=C(Br)C=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020197445	1	33	-1.0	-44.97	300.18	4.68	-40.29
COC1=CC(OC)=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197446	0	38	-1.0	-45.59	326.64	2.86	-42.73
COC1=CC(OC)=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197446	1	38	-1.0	-45.61	326.72	2.87	-42.74
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197447	0	49	-1.0	-50.80	371.92	5.67	-45.13
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197447	1	49	-1.0	-50.81	371.99	5.67	-45.14
CC(C)(C)N1CCCC(C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1(=O)=O	REAL300020197448	0	50	-1.0	-48.22	362.99	2.78	-45.44
CC(C)(C)N1CCCC(C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1(=O)=O	REAL300020197448	1	50	-1.0	-48.20	363.06	2.79	-45.41
O=C(C1CCC1C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197449	0	40	-1.0	-48.89	345.93	7.09	-41.80
O=C(C1CCC1C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197449	1	40	-1.0	-48.87	346.00	7.09	-41.78
O=C(C1CCCC2=C1N=CS2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197450	0	36	-1.0	-49.03	304.95	3.53	-45.50
O=C(C1CCCC2=C1N=CS2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197450	1	36	-1.0	-49.01	305.02	3.54	-45.47
O=C(C1C2C=CC(C2)C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197451	0	45	-1.0	-43.54	344.00	7.47	-36.07
O=C(C1C2C=CC(C2)C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197451	1	45	-1.0	-43.56	344.08	7.48	-36.08
CC1(C)CCC(F)(F)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197452	0	42	-1.0	-40.02	314.15	5.00	-35.02
CC1(C)CCC(F)(F)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197452	1	42	-1.0	-40.04	314.22	5.01	-35.03
CC1=C(C#N)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020197453	0	34	-1.0	-48.26	311.40	4.64	-43.62
CC1=C(C#N)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020197453	1	34	-1.0	-48.23	311.47	4.66	-43.57
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020197454	0	35	-1.0	-51.86	300.60	5.94	-45.92
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020197454	1	35	-1.0	-51.93	300.67	5.95	-45.98
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197455	0	42	-1.0	-44.36	352.55	7.18	-37.18
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197455	1	42	-1.0	-44.36	352.48	7.17	-37.19
O=C(C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197456	0	40	-1.0	-46.41	338.60	6.39	-40.02
O=C(C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197456	1	40	-1.0	-46.40	338.68	6.39	-40.01
O=C(C1=CN=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197457	0	29	-1.0	-38.82	278.85	2.08	-36.74
O=C(C1=CN=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197457	1	29	-1.0	-38.79	278.77	2.07	-36.72
O=C([C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197458	0	44	-1.0	-48.44	351.47	5.33	-43.11
O=C([C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197458	1	44	-1.0	-48.43	351.53	5.34	-43.09
COC1=CC=C2NN=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020197459	0	37	-1.0	-49.12	311.46	2.15	-46.97
COC1=CC=C2NN=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020197459	1	37	-1.0	-49.07	311.53	2.16	-46.91
COC1=CC=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(C)C2=C1	REAL300020197460	0	41	-1.0	-43.41	331.49	4.07	-39.34
COC1=CC=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(C)C2=C1	REAL300020197460	1	41	-1.0	-43.45	331.56	4.07	-39.38
O=C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CSC=C1Br	REAL300020197461	0	29	-1.0	-38.40	282.57	3.43	-34.97
O=C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CSC=C1Br	REAL300020197461	1	29	-1.0	-38.39	282.64	3.45	-34.94
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197462	0	39	-1.0	-41.90	330.84	6.21	-35.69
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197462	1	39	-1.0	-41.95	330.91	6.22	-35.73
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197463	0	40	-1.0	-42.92	334.81	3.49	-39.43
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197463	1	40	-1.0	-43.00	334.89	3.51	-39.49
O=C(C1=CSC(Br)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020197464	0	27	-1.0	-44.06	275.85	3.81	-40.25
O=C(C1=CSC(Br)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020197464	1	27	-1.0	-44.06	275.92	3.83	-40.23
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CC3CC(C1)C(=O)C(C3)C2	REAL300020197465	0	43	-1.0	-42.29	313.01	4.49	-37.80
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CC3CC(C1)C(=O)C(C3)C2	REAL300020197465	1	43	-1.0	-42.32	313.08	4.50	-37.82
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CC2CCC1C2	REAL300020197466	0	40	-1.0	-40.60	298.31	4.52	-36.08
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CC2CCC1C2	REAL300020197466	1	40	-1.0	-40.62	298.38	4.54	-36.08
O=C(C1=CC=CC=C1CC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197467	0	36	-1.0	-45.16	308.33	5.34	-39.82
O=C(C1=CC=CC=C1CC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197467	1	36	-1.0	-45.17	308.40	5.35	-39.82
CCN(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020197468	0	49	-1.0	-45.41	388.95	5.17	-40.24
CCN(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020197468	1	49	-1.0	-45.44	389.03	5.18	-40.26
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC2CC21	REAL300020197469	0	54	-1.0	-47.03	396.26	5.15	-41.88
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC2CC21	REAL300020197469	1	54	-1.0	-47.02	396.34	5.16	-41.86
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)CCN1C=CN=N1	REAL300020197470	0	35	-1.0	-45.84	305.43	2.25	-43.59
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)CCN1C=CN=N1	REAL300020197470	1	35	-1.0	-45.84	305.35	2.24	-43.60
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197471	0	36	-1.0	-38.41	307.83	5.11	-33.30
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197471	1	36	-1.0	-38.41	307.90	5.13	-33.28
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)CCN1C=CC=N1	REAL300020197472	0	36	-1.0	-42.52	311.61	3.47	-39.05
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)CCN1C=CC=N1	REAL300020197472	1	36	-1.0	-42.49	311.54	3.46	-39.03
O=C(CC1CCS(=O)(=O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197473	0	39	-1.0	-50.88	319.18	1.05	-49.83
O=C(CC1CCS(=O)(=O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197473	1	39	-1.0	-50.90	319.26	1.06	-49.84
CC1=NN=NN1C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020197474	0	41	-1.0	-54.47	337.37	4.01	-50.46
CC1=NN=NN1C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020197474	1	41	-1.0	-54.43	337.44	4.02	-50.41
O=C(C1CCCN1C1=CN=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197475	0	40	-1.0	-48.89	323.27	2.26	-46.63
O=C(C1CCCN1C1=CN=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197475	1	40	-1.0	-48.86	323.20	2.24	-46.62
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197476	0	35	-1.0	-50.19	301.85	-0.14	-50.33
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197476	1	35	-1.0	-50.19	301.92	-0.13	-50.32
CCOC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300020197477	0	46	-1.0	-40.71	365.43	6.05	-34.66
CCOC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300020197477	1	46	-1.0	-40.72	365.51	6.06	-34.66
COC1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020197478	0	34	-1.0	-43.07	309.62	3.75	-39.32
COC1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020197478	1	34	-1.0	-43.08	309.69	3.75	-39.33
O=C(C1=CC=CC(I)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197479	0	30	-1.0	-45.74	286.72	4.85	-40.89
O=C(C1=CC=CC(I)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197479	1	30	-1.0	-45.75	286.80	4.86	-40.89
CC(C)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020197480	0	39	-1.0	-47.05	318.59	5.66	-41.39
CC(C)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020197480	1	39	-1.0	-47.05	318.66	5.67	-41.38
CC(C)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197481	0	39	-1.0	-45.09	319.95	5.69	-39.40
CC(C)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197481	1	39	-1.0	-45.12	320.03	5.69	-39.43
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197482	0	36	-1.0	-47.88	305.33	6.01	-41.87
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197482	1	36	-1.0	-47.91	305.40	6.01	-41.90
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020197483	0	44	-1.0	-49.89	355.31	7.60	-42.29
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020197483	1	44	-1.0	-49.91	355.39	7.60	-42.31
O=C(C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197484	0	46	-1.0	-41.59	387.90	9.03	-32.56
O=C(C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197484	1	46	-1.0	-41.55	387.97	9.04	-32.51
O=C(C(CC1=CC=CC=C1)C1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197485	0	52	-1.0	-41.87	381.31	8.37	-33.50
O=C(C(CC1=CC=CC=C1)C1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197485	1	52	-1.0	-41.86	381.38	8.39	-33.47
CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC2=CC=CC=C21	REAL300020197486	0	46	-1.0	-44.79	336.47	6.55	-38.24
CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC2=CC=CC=C21	REAL300020197486	1	46	-1.0	-44.79	336.54	6.57	-38.22
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197487	0	36	-1.0	-44.29	309.62	5.25	-39.04
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197487	1	36	-1.0	-44.34	309.70	5.27	-39.07
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020197488	0	43	-1.0	-42.04	361.55	5.78	-36.26
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020197488	1	43	-1.0	-42.03	361.62	5.79	-36.24
COC(=O)C1=CSC2=C1NC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020197489	0	37	-1.0	-44.82	330.61	3.81	-41.01
COC(=O)C1=CSC2=C1NC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020197489	1	37	-1.0	-44.77	330.68	3.83	-40.94
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N2)S1	REAL300020197490	0	37	-1.0	-42.38	330.86	3.94	-38.44
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N2)S1	REAL300020197490	1	37	-1.0	-42.42	330.93	3.96	-38.46
O=C(C1=CON=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197491	0	36	-1.0	-45.50	302.53	4.75	-40.75
O=C(C1=CON=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197491	1	36	-1.0	-45.54	302.46	4.74	-40.80
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197492	0	53	-1.0	-47.26	428.64	5.22	-42.04
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197492	1	53	-1.0	-47.29	428.72	5.23	-42.06
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197493	0	53	-1.0	-39.05	406.57	3.99	-35.06
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197493	1	53	-1.0	-39.08	406.64	3.99	-35.09
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197494	0	46	-1.0	-45.05	373.62	2.27	-42.78
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197494	1	46	-1.0	-45.10	373.70	2.28	-42.82
O=C(C1CCC2=C(C1)C(C(F)(F)F)=NN2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197495	0	40	-1.0	-39.06	340.10	3.66	-35.40
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CN1C(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1C1CC1	REAL300020197502	1	40	-1.0	-54.47	340.76	4.46	-50.01
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CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(F)=C1	REAL300020197508	0	39	-1.0	-41.49	313.88	5.88	-35.61
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(F)=C1	REAL300020197508	1	39	-1.0	-41.52	313.95	5.89	-35.63
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197509	0	43	-1.0	-41.61	347.70	5.55	-36.06
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197509	1	43	-1.0	-41.68	347.77	5.56	-36.12
COC1=CC=CC=C1N1N=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197510	0	41	-1.0	-47.43	336.93	4.27	-43.16
COC1=CC=CC=C1N1N=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197510	1	41	-1.0	-47.47	336.86	4.25	-43.22
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2F)=NO1	REAL300020197511	0	39	-1.0	-43.55	338.20	5.81	-37.74
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2F)=NO1	REAL300020197511	1	39	-1.0	-43.57	338.13	5.80	-37.77
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O=C(C1CCOCC12CCCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197512	1	47	-1.0	-44.03	333.76	4.40	-39.63
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CC2CCC1CC2	REAL300020197513	0	43	-1.0	-39.67	314.03	5.19	-34.48
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CC2CCC1CC2	REAL300020197513	1	43	-1.0	-39.68	314.10	5.20	-34.48
CC(F)(F)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020197514	0	39	-1.0	-39.85	314.38	5.69	-34.16
CC(F)(F)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020197514	1	39	-1.0	-39.85	314.45	5.71	-34.14
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCOC1	REAL300020197515	0	41	-1.0	-43.62	316.19	3.76	-39.86
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCOC1	REAL300020197515	1	41	-1.0	-43.68	316.26	3.77	-39.91
CC1=CC=C(C2CCCCC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197516	0	49	-1.0	-43.33	365.46	8.03	-35.30
CC1=CC=C(C2CCCCC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197516	1	49	-1.0	-43.34	365.54	8.03	-35.31
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197517	0	55	-1.0	-44.67	415.54	7.68	-36.99
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197517	1	55	-1.0	-44.69	415.62	7.69	-37.00
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197518	0	44	-1.0	-55.73	367.06	5.76	-49.97
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197518	1	44	-1.0	-55.75	367.13	5.77	-49.98
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197519	0	42	-1.0	-54.48	359.23	7.02	-47.46
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197519	1	42	-1.0	-54.48	359.30	7.03	-47.45
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197520	0	50	-1.0	-42.61	391.03	1.45	-41.16
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197520	1	50	-1.0	-42.61	391.11	1.47	-41.14
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020197521	0	53	-1.0	-43.81	408.43	2.46	-41.35
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020197521	1	53	-1.0	-43.77	408.36	2.44	-41.33
CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)OC(C)(C)C1	REAL300020197522	0	57	-1.0	-48.74	434.80	5.89	-42.85
CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)OC(C)(C)C1	REAL300020197522	1	57	-1.0	-48.73	434.87	5.90	-42.83
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020197523	0	53	-1.0	-43.18	409.11	5.23	-37.95
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020197523	1	53	-1.0	-43.22	409.19	5.24	-37.98
CCC(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020197524	0	42	-1.0	-56.41	343.68	3.52	-52.89
CCC(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020197524	1	42	-1.0	-56.39	343.76	3.53	-52.86
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197525	0	52	-1.0	-45.34	399.65	8.13	-37.21
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197525	1	52	-1.0	-45.36	399.72	8.13	-37.23
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197526	0	40	-1.0	-44.78	339.56	6.29	-38.49
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197526	1	40	-1.0	-44.85	339.63	6.30	-38.55
O=C(C1COC2=CC=C(Br)C=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197527	0	38	-1.0	-40.70	332.45	5.07	-35.63
O=C(C1COC2=CC=C(Br)C=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197527	1	38	-1.0	-40.69	332.52	5.07	-35.62
CC1=CC=C(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020197528	0	43	-1.0	-45.89	344.87	6.48	-39.41
CC1=CC=C(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020197528	1	43	-1.0	-45.94	344.95	6.48	-39.46
COC1=C(CCNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL300020198529	0	42	-1.0	-43.51	349.47	4.97	-38.54
COC1=C(CCNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL300020198529	1	42	-1.0	-43.48	349.53	4.98	-38.50
CC1=CC=C(C2=NC(CNC(=O)CCC3=NN=N[N-]3)=CO2)C=C1	REAL300020198530	0	38	-1.0	-43.02	335.70	1.81	-41.21
CC1=CC=C(C2=NC(CNC(=O)CCC3=N[N-]N=N3)=CO2)C=C1	REAL300020198530	1	38	-1.0	-42.97	335.64	1.79	-41.18
CN(CC1=CC=CC=C1)C(=O)CNC(=O)CNC(=O)CCC1=N[N-]N=N1	REAL300020198531	0	46	-1.0	-45.07	392.67	1.75	-43.32
CN(CC1=CC=CC=C1)C(=O)CNC(=O)CNC(=O)CCC1=NN=N[N-]1	REAL300020198531	1	46	-1.0	-45.10	392.73	1.77	-43.33
CC1=C(Br)C=CC=C1CCNC(=O)CCC1=N[N-]N=N1	REAL300020198532	0	35	-1.0	-40.54	312.52	4.44	-36.10
CC1=C(Br)C=CC=C1CCNC(=O)CCC1=NN=N[N-]1	REAL300020198532	1	35	-1.0	-40.55	312.58	4.45	-36.10
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1C(=O)N1CCCC(O)C1	REAL300020198533	0	44	-1.0	-46.27	356.04	1.45	-44.82
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1C(=O)N1CCCC(O)C1	REAL300020198533	1	44	-1.0	-46.27	356.10	1.47	-44.80
CC1=CC(=O)N(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)N1	REAL300020198534	0	37	-1.0	-51.45	318.15	3.02	-48.43
CC1=CC(=O)N(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)N1	REAL300020198534	1	37	-1.0	-51.47	318.21	3.04	-48.43
CC1=CC(=O)N(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)[N-]1	REAL300020198534	1	36	-2.0	-95.74	316.13	2.92	-92.82
CC1=CC(=O)N(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)[N-]1	REAL300020198534	1	36	-2.0	-95.74	316.19	2.94	-92.80
O=C(CCC1=N[N-]N=N1)NCC(=O)NCC(=O)NCC1=CC=CC=C1	REAL300020198535	0	43	-1.0	-43.79	375.51	-0.32	-44.11
O=C(CCC1=NN=N[N-]1)NCC(=O)NCC(=O)NCC1=CC=CC=C1	REAL300020198535	1	43	-1.0	-43.84	375.57	-0.30	-44.14
CCS(=O)(=O)C1=CC=CC=C1CCNC(=O)CCC1=N[N-]N=N1	REAL300020198536	0	41	-1.0	-50.10	347.94	1.85	-48.25
CCS(=O)(=O)C1=CC=CC=C1CCNC(=O)CCC1=NN=N[N-]1	REAL300020198536	1	41	-1.0	-50.08	348.00	1.87	-48.21
O=C(CCC1=N[N-]N=N1)N1[C@H](C(=O)OCC2=CC=CC=C2)C[C@@H]2CCC[C@@H]21	REAL300020198537	0	49	-1.0	-48.31	394.22	8.79	-39.52
O=C(CCC1=NN=N[N-]1)N1[C@H](C(=O)OCC2=CC=CC=C2)C[C@@H]2CCC[C@@H]21	REAL300020198537	1	49	-1.0	-48.31	394.27	8.81	-39.50
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020198538	0	37	-1.0	-44.04	318.56	-0.93	-44.97
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020198538	1	37	-1.0	-44.02	318.61	-0.92	-44.94
CN(C)S(=O)(=O)CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020198539	0	43	-1.0	-47.43	376.90	1.44	-45.99
CN(C)S(=O)(=O)CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020198539	1	43	-1.0	-47.47	376.96	1.45	-46.02
CC(C)(C)N1C=C(CNC(=O)CCC2=N[N-]N=N2)C(=O)NC1=O	REAL300020198540	0	41	-1.0	-47.57	337.50	0.46	-47.11
CC(C)(C)N1C=C(CNC(=O)CCC2=NN=N[N-]2)C(=O)NC1=O	REAL300020198540	1	41	-1.0	-47.60	337.55	0.48	-47.12
O=C(CCC1=N[N-]N=N1)N[C@H]1CCOC2=CC=C(Br)C=C21	REAL300020198541	0	34	-1.0	-41.98	303.49	3.14	-38.84
O=C(CCC1=NN=N[N-]1)N[C@H]1CCOC2=CC=C(Br)C=C21	REAL300020198541	1	34	-1.0	-41.96	303.54	3.16	-38.80
O=C(CCC1=N[N-]N=N1)N[C@@H]1CCOC2=CC=C(Br)C=C21	REAL300020198542	0	34	-1.0	-41.99	303.48	3.13	-38.86
O=C(CCC1=NN=N[N-]1)N[C@@H]1CCOC2=CC=C(Br)C=C21	REAL300020198542	1	34	-1.0	-41.96	303.54	3.15	-38.81
CC1=CC=C(OC2=CC(Cl)=CC=C2CN(C)C(=O)CCC2=N[N-]N=N2)C(C)=C1	REAL300020198543	0	49	-1.0	-43.56	408.30	10.29	-33.27
CC1=CC=C(OC2=CC(Cl)=CC=C2CN(C)C(=O)CCC2=NN=N[N-]2)C(C)=C1	REAL300020198543	1	49	-1.0	-43.60	408.36	10.30	-33.30
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300020198544	0	30	-2.0	-104.35	286.37	-0.52	-104.87
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300020198544	1	30	-2.0	-104.36	286.43	-0.50	-104.86
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CC1=C(NC(=O)CCC2=N[N-]N=N2)C(C)=C(C(F)(F)F)C=C1C(F)(F)F	REAL300020198973	0	38	-1.0	-37.62	334.29	5.86	-31.76
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CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)CCC1=NN=N[N-]1)CCO2	REAL300020198977	1	54	-1.0	-43.15	406.22	4.68	-38.47
C[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1NC(=O)OC(C)(C)C	REAL300020198978	0	46	-1.0	-44.20	367.23	2.45	-41.75
C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1NC(=O)OC(C)(C)C	REAL300020198978	1	46	-1.0	-44.20	367.29	2.46	-41.74
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O=C(CCC1=NN=N[N-]1)N1CCC2(CC1)CC(O)CNC2=O	REAL300020198980	1	41	-1.0	-44.96	312.62	-1.73	-46.69
O=C(CCC1=N[N-]N=N1)N1CC(CC2=CC=C(Br)C=C2)C1	REAL300020198981	0	36	-1.0	-42.48	328.94	6.31	-36.17
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CN1C=NN=C1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020198982	0	42	-1.0	-48.62	346.14	1.72	-46.90
CN1C=NN=C1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020198982	1	42	-1.0	-48.65	346.19	1.73	-46.92
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C[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1CNC(=O)OC(C)(C)C	REAL300020198985	0	49	-1.0	-44.90	387.69	3.14	-41.76
C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1CNC(=O)OC(C)(C)C	REAL300020198985	1	49	-1.0	-44.93	387.75	3.15	-41.78
CCC1(C(=O)OC(C)(C)C)CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020198986	0	50	-1.0	-39.29	371.56	6.82	-32.47
CCC1(C(=O)OC(C)(C)C)CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020198986	1	50	-1.0	-39.31	371.61	6.83	-32.48
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CC(C)(C)C1=NN2CCN(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020198991	0	42	-1.0	-40.88	337.34	4.40	-36.48
CC(C)(C)C1=NN2CCN(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020198991	1	42	-1.0	-40.92	337.39	4.41	-36.51
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@@H]2C1	REAL300020198992	0	50	-1.0	-44.27	381.88	4.67	-39.60
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@@H]2C1	REAL300020198992	1	50	-1.0	-44.29	381.94	4.69	-39.60
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CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)C2CC21	REAL300020198995	0	44	-1.0	-40.35	348.73	4.08	-36.27
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)C2CC21	REAL300020198995	1	44	-1.0	-40.35	348.79	4.09	-36.26
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COC1=CC=CC=C1NC(=O)C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020198997	0	47	-1.0	-42.52	376.93	4.13	-38.39
COC1=CC=CC=C1NC(=O)C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020198997	1	47	-1.0	-42.47	376.99	4.14	-38.33
COC(=O)C1C2=CC=CC=C2OCCN1C(=O)CCC1=N[N-]N=N1	REAL300020198998	0	40	-1.0	-41.51	329.97	4.54	-36.97
COC(=O)C1C2=CC=CC=C2OCCN1C(=O)CCC1=NN=N[N-]1	REAL300020198998	1	40	-1.0	-41.50	330.03	4.55	-36.95
CC(C)(C)OC(=O)N1CCC2(NC(=O)CCC3=N[N-]N=N3)CCCCC12	REAL300020198999	0	53	-1.0	-40.31	395.44	4.75	-35.56
CC(C)(C)OC(=O)N1CCC2(NC(=O)CCC3=NN=N[N-]3)CCCCC12	REAL300020198999	1	53	-1.0	-40.32	395.50	4.76	-35.56
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCC2=N[N-]N=N2)CO1	REAL300020199000	0	41	-1.0	-41.58	339.32	1.23	-40.35
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCC2=NN=N[N-]2)CO1	REAL300020199000	1	41	-1.0	-41.60	339.37	1.24	-40.36
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C2CCC2)C=C1	REAL300020199001	0	43	-1.0	-39.81	346.08	4.78	-35.03
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C2CCC2)C=C1	REAL300020199001	1	43	-1.0	-39.81	346.14	4.79	-35.02
CC1(CNC(=O)CCC2=N[N-]N=N2)CCC2(CC1)OCCO2	REAL300020199002	0	44	-1.0	-40.62	335.14	2.41	-38.21
CC1(CNC(=O)CCC2=NN=N[N-]2)CCC2(CC1)OCCO2	REAL300020199002	1	44	-1.0	-40.60	335.19	2.43	-38.17
COCCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020199003	0	37	-1.0	-41.10	336.89	2.74	-38.36
COCCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300020199003	1	37	-1.0	-41.10	336.95	2.75	-38.35
CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCC2=N[N-]N=N2)CO1	REAL300020199004	0	41	-1.0	-41.59	339.37	1.23	-40.36
CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCC2=NN=N[N-]2)CO1	REAL300020199004	1	41	-1.0	-41.59	339.43	1.24	-40.35
CN1N=NC([N-]S(=O)(=O)C2=CC=C(NNC(=O)CCC3=NN=N[N-]3)C=C2)=N1	REAL300020199005	0	40	-2.0	-93.26	373.50	0.25	-93.01
CN1N=NC([N-]S(=O)(=O)C2=CC=C(NNC(=O)CCC3=N[N-]N=N3)C=C2)=N1	REAL300020199005	1	40	-2.0	-93.24	373.44	0.23	-93.01
CCOCC1=NC(Cl)=CC(NNC(=O)CCC2=N[N-]N=N2)=N1	REAL300020199006	0	36	-1.0	-39.66	334.82	1.62	-38.04
CCOCC1=NC(Cl)=CC(NNC(=O)CCC2=NN=N[N-]2)=N1	REAL300020199006	1	36	-1.0	-39.70	334.87	1.63	-38.07
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020199007	0	38	-1.0	-42.90	347.96	4.75	-38.15
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020199007	1	38	-1.0	-42.90	348.02	4.77	-38.13
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O=C(CCC1=NN=N[N-]1)NNC1=CC(Br)=CC=C1F	REAL300020199009	1	28	-1.0	-38.57	275.23	2.92	-35.65
CCC1=NOC(C2CCC(NC(=O)CCC3=N[N-]N=N3)C2)=N1	REAL300020199010	0	40	-1.0	-41.75	335.68	1.67	-40.08
CCC1=NOC(C2CCC(NC(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300020199010	1	40	-1.0	-41.75	335.73	1.69	-40.06
CN(C(=O)CCC1=N[N-]N=N1)[C@@H]1CN(C(=O)OCC2=CC=CC=C2)C[C@H]1O	REAL300020199011	0	48	-1.0	-45.71	398.67	2.51	-43.20
CN(C(=O)CCC1=NN=N[N-]1)[C@@H]1CN(C(=O)OCC2=CC=CC=C2)C[C@H]1O	REAL300020199011	1	48	-1.0	-45.76	398.73	2.53	-43.23
CC(C1=CC=CC=C1)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020199012	0	45	-1.0	-39.88	349.23	7.39	-32.49
CC(C1=CC=CC=C1)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020199012	1	45	-1.0	-39.86	349.29	7.41	-32.45
O=C(CCC1=N[N-]N=N1)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1	REAL300020199013	0	44	-1.0	-42.49	329.41	-1.11	-43.60
O=C(CCC1=NN=N[N-]1)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1	REAL300020199013	1	44	-1.0	-42.47	329.47	-1.09	-43.56
O=C(CCC1=N[N-]N=N1)N1C[C@@]2(CO)C[C@@]2(C(F)(F)F)C1	REAL300020199014	0	34	-1.0	-40.09	300.59	1.07	-39.02
O=C(CCC1=NN=N[N-]1)N1C[C@@]2(CO)C[C@@]2(C(F)(F)F)C1	REAL300020199014	1	34	-1.0	-40.08	300.65	1.09	-38.99
O=C(CCC1=N[N-]N=N1)NNC(=O)[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300020199015	0	41	-1.0	-41.72	348.39	2.32	-39.40
O=C(CCC1=NN=N[N-]1)NNC(=O)[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300020199015	1	41	-1.0	-41.76	348.45	2.33	-39.43
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCC1=N[N-]N=N1	REAL300020199016	0	43	-1.0	-39.59	341.38	0.94	-38.65
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCC1=NN=N[N-]1	REAL300020199016	1	43	-1.0	-39.58	341.44	0.95	-38.63
CC(C)(C)OC(=O)N1CCC2CCC21CNC(=O)CCC1=N[N-]N=N1	REAL300020199017	0	50	-1.0	-44.95	391.66	3.95	-41.00
CC(C)(C)OC(=O)N1CCC2CCC21CNC(=O)CCC1=NN=N[N-]1	REAL300020199017	1	50	-1.0	-44.93	391.71	3.96	-40.97
CON(CCNC(=O)CCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020199018	0	43	-1.0	-44.01	356.62	2.08	-41.93
CON(CCNC(=O)CCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020199018	1	43	-1.0	-44.00	356.68	2.09	-41.91
CN(CCCOC1=CC=C(Br)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020199019	0	39	-1.0	-41.67	348.44	5.80	-35.87
CN(CCCOC1=CC=C(Br)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020199019	1	39	-1.0	-41.72	348.50	5.82	-35.90
CCOC(=O)C(CCC1=CC=NC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020199020	0	43	-1.0	-45.61	370.99	4.61	-41.00
CCOC(=O)C(CCC1=CC=NC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020199020	1	43	-1.0	-45.59	371.05	4.62	-40.97
CC(C)(C)OC(=O)N1CCCC(NC(=O)CCC2=N[N-]N=N2)C(F)C1	REAL300020199021	0	49	-1.0	-44.71	379.99	4.24	-40.47
CC(C)(C)OC(=O)N1CCCC(NC(=O)CCC2=NN=N[N-]2)C(F)C1	REAL300020199021	1	49	-1.0	-44.74	380.04	4.26	-40.48
COC1=CC=C(C[C@H]2CCCN2C(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020199022	0	47	-1.0	-45.20	374.96	5.55	-39.65
COC1=CC=C(C[C@H]2CCCN2C(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020199022	1	47	-1.0	-45.18	375.02	5.56	-39.62
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=CC=CC=C2C(F)(F)F)C=C1F	REAL300020199023	0	39	-1.0	-41.52	346.13	6.96	-34.56
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=CC=CC=C2C(F)(F)F)C=C1F	REAL300020199023	1	39	-1.0	-41.52	346.19	6.97	-34.55
COC1=CC=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020199024	0	40	-1.0	-40.44	316.66	5.00	-35.44
COC1=CC=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020199024	1	40	-1.0	-40.43	316.72	5.01	-35.42
CC(C)(C)OC(=O)NC1=CC=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020199025	0	50	-1.0	-41.63	393.13	5.53	-36.10
CC(C)(C)OC(=O)NC1=CC=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020199025	1	50	-1.0	-41.66	393.19	5.54	-36.12
O=C(CCC1=N[N-]N=N1)N1CCCC(N2CCCS2(=O)=O)CC1	REAL300020199026	0	44	-1.0	-57.25	350.82	1.98	-55.27
O=C(CCC1=NN=N[N-]1)N1CCCC(N2CCCS2(=O)=O)CC1	REAL300020199026	1	44	-1.0	-57.31	350.88	1.99	-55.32
O=C(CCC1=N[N-]N=N1)N1CCC(CCC2=CC=CN=C2)CC1	REAL300020199027	0	44	-1.0	-42.23	350.61	6.10	-36.13
O=C(CCC1=NN=N[N-]1)N1CCC(CCC2=CC=CN=C2)CC1	REAL300020199027	1	44	-1.0	-42.21	350.67	6.11	-36.10
CC(C)(C)OC(=O)NC[C@@H]1[C@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]21	REAL300020199028	0	47	-1.0	-43.46	378.97	3.29	-40.17
CC(C)(C)OC(=O)NC[C@@H]1[C@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]21	REAL300020199028	1	47	-1.0	-43.45	379.03	3.30	-40.15
CC(C)(C)OC(=O)N1CC23CN(C(=O)CCC4=N[N-]N=N4)CC2(C1)CCCC3	REAL300020199029	0	57	-1.0	-44.91	424.02	6.09	-38.82
CC(C)(C)OC(=O)N1CC23CN(C(=O)CCC4=NN=N[N-]4)CC2(C1)CCCC3	REAL300020199029	1	57	-1.0	-44.92	424.08	6.11	-38.81
O=C(CCC1=N[N-]N=N1)NC1CCCN(C2=CC=C(F)C=C2)C1=O	REAL300020199030	0	40	-1.0	-49.75	341.79	4.11	-45.64
O=C(CCC1=NN=N[N-]1)NC1CCCN(C2=CC=C(F)C=C2)C1=O	REAL300020199030	1	40	-1.0	-49.77	341.85	4.13	-45.64
CN(CCN(CC(F)(F)F)C(=O)CCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020199031	0	48	-1.0	-41.34	395.74	5.34	-36.00
CN(CCN(CC(F)(F)F)C(=O)CCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020199031	1	48	-1.0	-41.39	395.80	5.35	-36.04
O=C(CCC1=N[N-]N=N1)N1CC23CS(=O)(=O)CC2(C1)CCCC3	REAL300020199032	0	43	-1.0	-48.44	333.52	1.79	-46.65
O=C(CCC1=NN=N[N-]1)N1CC23CS(=O)(=O)CC2(C1)CCCC3	REAL300020199032	1	43	-1.0	-48.44	333.57	1.81	-46.63
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=C(OC3=CC=CC=C3)C=C2)=CS1	REAL300020199033	0	43	-1.0	-40.33	383.26	7.32	-33.01
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=C(OC3=CC=CC=C3)C=C2)=CS1	REAL300020199033	1	43	-1.0	-40.31	383.21	7.31	-33.00
CCC1CCCC2=C1N=C(NC(=O)CCC1=N[N-]N=N1)S2	REAL300020199034	0	38	-1.0	-38.35	316.16	5.16	-33.19
CCC1CCCC2=C1N=C(NC(=O)CCC1=NN=N[N-]1)S2	REAL300020199034	1	38	-1.0	-38.35	316.22	5.18	-33.17
CC(C)(C)OC(=O)NCC1(C)CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020199035	0	55	-1.0	-43.81	410.86	3.78	-40.03
CC(C)(C)OC(=O)NCC1(C)CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020199035	1	55	-1.0	-43.87	410.91	3.80	-40.07
CC(C)(C)OC(=O)NC1(C)CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020199036	0	52	-1.0	-43.83	395.01	3.06	-40.77
CC(C)(C)OC(=O)NC1(C)CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020199036	1	52	-1.0	-43.82	395.07	3.07	-40.75
COC1=CC=C(C(C)(C)C)C=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020199037	0	45	-1.0	-40.58	362.31	4.34	-36.24
COC1=CC=C(C(C)(C)C)C=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020199037	1	45	-1.0	-40.52	362.37	4.36	-36.16
O=C(CCC1=N[N-]N=N1)NC1=CC=C2CCCNC(=O)C2=C1	REAL300020199038	0	37	-1.0	-50.14	307.73	1.64	-48.50
O=C(CCC1=NN=N[N-]1)NC1=CC=C2CCCNC(=O)C2=C1	REAL300020199038	1	37	-1.0	-50.12	307.78	1.65	-48.47
O=C(CCC1=N[N-]N=N1)NC1=CC=C2CCN(C(=O)C3CCCC3)C2=C1	REAL300020199039	0	47	-1.0	-48.08	370.97	6.19	-41.89
O=C(CCC1=NN=N[N-]1)NC1=CC=C2CCN(C(=O)C3CCCC3)C2=C1	REAL300020199039	1	47	-1.0	-48.10	371.03	6.20	-41.90
NC(=O)C1CC2(C1)CC(NC(=O)CCC1=N[N-]N=N1)CCS2(=O)=O	REAL300020199040	0	43	-1.0	-51.96	358.53	-3.11	-55.07
NC(=O)C1CC2(C1)CC(NC(=O)CCC1=NN=N[N-]1)CCS2(=O)=O	REAL300020199040	1	43	-1.0	-51.96	358.58	-3.09	-55.05
CCOC(=O)C1=NC(N)=NC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020199041	0	46	-1.0	-44.01	386.74	5.17	-38.84
CCOC(=O)C1=NC(N)=NC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020199041	1	46	-1.0	-44.01	386.68	5.15	-38.86
O=C(CCC1=N[N-]N=N1)NCC(F)(F)C1(O)CCOCC1	REAL300020199042	0	37	-1.0	-40.67	304.65	-1.57	-42.24
O=C(CCC1=NN=N[N-]1)NCC(F)(F)C1(O)CCOCC1	REAL300020199042	1	37	-1.0	-40.69	304.71	-1.56	-42.25
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Br)C=C1OC(F)F	REAL300020199043	0	30	-1.0	-39.33	290.55	2.91	-36.42
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Br)C=C1OC(F)F	REAL300020199043	1	30	-1.0	-39.33	290.61	2.92	-36.41
CC1=NN2CCN(C(=O)CCC3=N[N-]N=N3)CC2=C1I	REAL300020199044	0	33	-1.0	-39.58	303.82	3.56	-36.02
CC1=NN2CCN(C(=O)CCC3=NN=N[N-]3)CC2=C1I	REAL300020199044	1	33	-1.0	-39.56	303.88	3.57	-35.99
CCOC(=O)C(CC1=NC=CS1)NC(=O)CCC1=N[N-]N=N1	REAL300020199045	0	37	-1.0	-40.49	330.18	2.09	-38.40
CCOC(=O)C(CC1=NC=CS1)NC(=O)CCC1=NN=N[N-]1	REAL300020199045	1	37	-1.0	-40.48	330.23	2.10	-38.38
COC(=O)C(CC1=CC=CC=C1Br)NC(=O)CCC1=N[N-]N=N1	REAL300020199046	0	38	-1.0	-44.10	349.51	5.01	-39.09
COC(=O)C(CC1=CC=CC=C1Br)NC(=O)CCC1=NN=N[N-]1	REAL300020199046	1	38	-1.0	-44.08	349.57	5.02	-39.06
COC(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020199047	0	35	-1.0	-50.96	315.71	-1.55	-52.51
COC(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020199047	1	35	-1.0	-50.97	315.77	-1.54	-52.51
COC(=O)C1=CN(C2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)N=N1	REAL300020199048	0	44	-1.0	-48.71	361.01	3.72	-44.99
COC(=O)C1=CN(C2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)N=N1	REAL300020199048	1	44	-1.0	-48.74	360.95	3.71	-45.03
O=C(CCC1=N[N-]N=N1)NCCC1=CC=C(Cl)C=C1Br	REAL300020199049	0	32	-1.0	-40.39	313.05	4.46	-35.93
O=C(CCC1=NN=N[N-]1)NCCC1=CC=C(Cl)C=C1Br	REAL300020199049	1	32	-1.0	-40.39	313.11	4.48	-35.91
CC1=CC=C(Br)C=C1CCNC(=O)CCC1=N[N-]N=N1	REAL300020199050	0	35	-1.0	-40.26	315.75	4.54	-35.72
CC1=CC=C(Br)C=C1CCNC(=O)CCC1=NN=N[N-]1	REAL300020199050	1	35	-1.0	-40.25	315.81	4.56	-35.69
C[C@H](NC(=O)OC(C)(C)C)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020199051	0	49	-1.0	-42.86	396.89	3.90	-38.96
C[C@H](NC(=O)OC(C)(C)C)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020199051	1	49	-1.0	-42.87	396.95	3.91	-38.96
CC(C)(C)OC(=O)N1CCC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C21	REAL300020199052	0	47	-1.0	-44.59	378.28	5.41	-39.18
CC(C)(C)OC(=O)N1CCC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C21	REAL300020199052	1	47	-1.0	-44.62	378.33	5.43	-39.19
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(O)C(Br)=C1	REAL300020199053	0	36	-1.0	-44.87	340.66	1.57	-43.30
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(O)C(Br)=C1	REAL300020199053	1	36	-1.0	-44.86	340.71	1.58	-43.28
O=C(CCC1=N[N-]N=N1)NN1CCN(CC2=CC=CC=C2)CC1	REAL300020199054	0	43	-1.0	-40.27	349.57	2.76	-37.51
O=C(CCC1=NN=N[N-]1)NN1CCN(CC2=CC=CC=C2)CC1	REAL300020199054	1	43	-1.0	-40.30	349.63	2.78	-37.52
CCOC(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1Cl	REAL300020199055	0	35	-1.0	-42.99	320.98	4.55	-38.44
CCOC(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1Cl	REAL300020199055	1	35	-1.0	-43.02	321.04	4.56	-38.46
COC(=O)[C@H](CCSC(F)(F)F)NC(=O)CCC1=N[N-]N=N1	REAL300020199056	0	35	-1.0	-43.74	337.30	3.48	-40.26
COC(=O)[C@H](CCSC(F)(F)F)NC(=O)CCC1=NN=N[N-]1	REAL300020199056	1	35	-1.0	-43.73	337.36	3.50	-40.23
O=C(CCC1=N[N-]N=N1)NCCOC1CCS(=O)(=O)CC1	REAL300020199057	0	39	-1.0	-50.25	333.50	-1.58	-51.83
O=C(CCC1=NN=N[N-]1)NCCOC1CCS(=O)(=O)CC1	REAL300020199057	1	39	-1.0	-50.29	333.56	-1.56	-51.85
NC(=O)C1=CC=C2CCN(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020199058	0	37	-1.0	-47.67	308.54	1.76	-45.91
NC(=O)C1=CC=C2CCN(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020199058	1	37	-1.0	-47.66	308.60	1.77	-45.89
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CSC(Br)=C1	REAL300020199059	0	32	-1.0	-41.76	321.51	3.43	-38.33
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CSC(Br)=C1	REAL300020199059	1	32	-1.0	-41.77	321.57	3.44	-38.33
COC(=O)C1(C2(O)CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCOCC1	REAL300020199060	0	50	-1.0	-43.34	361.26	1.46	-41.88
COC(=O)C1(C2(O)CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCOCC1	REAL300020199060	1	50	-1.0	-43.39	361.31	1.47	-41.92
COC(=O)C1CC12CCC(NC(=O)CCC1=N[N-]N=N1)CC2	REAL300020199061	0	42	-1.0	-45.37	341.45	4.23	-41.14
COC(=O)C1CC12CCC(NC(=O)CCC1=NN=N[N-]1)CC2	REAL300020199061	1	42	-1.0	-45.35	341.50	4.24	-41.11
CN(C)S(=O)(=O)CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020199062	0	40	-1.0	-48.39	351.49	1.28	-47.11
CN(C)S(=O)(=O)CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020199062	1	40	-1.0	-48.38	351.55	1.30	-47.08
NC(=O)C1CC2(C1)CC(NC(=O)CCC1=N[N-]N=N1)CCS2	REAL300020199063	0	41	-1.0	-46.64	341.03	0.52	-46.12
NC(=O)C1CC2(C1)CC(NC(=O)CCC1=NN=N[N-]1)CCS2	REAL300020199063	1	41	-1.0	-46.64	341.09	0.54	-46.10
O=C(CCC1=N[N-]N=N1)NC1CC2=NNC=C2C(C(F)(F)F)C1	REAL300020199064	0	36	-1.0	-42.26	308.58	1.91	-40.35
O=C(CCC1=NN=N[N-]1)NC1CC2=NNC=C2C(C(F)(F)F)C1	REAL300020199064	1	36	-1.0	-42.27	308.64	1.93	-40.34
O=C(CCC1=N[N-]N=N1)NCC1CC(=O)NC2=CC=CC=C21	REAL300020199065	0	37	-1.0	-46.58	313.48	1.84	-44.74
O=C(CCC1=NN=N[N-]1)NCC1CC(=O)NC2=CC=CC=C21	REAL300020199065	1	37	-1.0	-46.56	313.54	1.86	-44.70
CCOC(=O)C(C#N)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020199066	0	42	-1.0	-42.86	346.87	5.14	-37.72
CCOC(=O)C(C#N)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020199066	1	42	-1.0	-42.86	346.93	5.15	-37.71
N#CC1=C(N)SC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020199067	0	33	-1.0	-42.24	299.13	2.43	-39.81
N#CC1=C(N)SC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020199067	1	33	-1.0	-42.24	299.18	2.45	-39.79
O=C(CCC1=N[N-]N=N1)NC1=CC=C(NCCO)C(C(F)(F)F)=C1	REAL300020199068	0	38	-1.0	-41.24	333.87	0.06	-41.18
O=C(CCC1=NN=N[N-]1)NC1=CC=C(NCCO)C(C(F)(F)F)=C1	REAL300020199068	1	38	-1.0	-41.28	333.93	0.08	-41.20
CN(C(=O)OC(C)(C)C)C1CCS(=O)(=NC(=O)CCC2=N[N-]N=N2)C1	REAL300020199069	0	48	-1.0	-57.82	390.70	2.35	-55.47
CN(C(=O)OC(C)(C)C)C1CCS(=O)(=NC(=O)CCC2=NN=N[N-]2)C1	REAL300020199069	1	48	-1.0	-57.81	390.76	2.36	-55.45
CCOC(=O)[C@@H]1CCCC[C@@H]1CNC(=O)CCC1=N[N-]N=N1	REAL300020199070	0	44	-1.0	-44.31	344.47	4.21	-40.10
CCOC(=O)[C@@H]1CCCC[C@@H]1CNC(=O)CCC1=NN=N[N-]1	REAL300020199070	1	44	-1.0	-44.28	344.53	4.22	-40.06
CN1C=C(C2=NSC([N-]C(=O)CCC3=NN=N[N-]3)=N2)C=N1	REAL300020199071	0	30	-2.0	-89.17	292.51	0.70	-88.47
CN1C=C(C2=NSC([N-]C(=O)CCC3=N[N-]N=N3)=N2)C=N1	REAL300020199071	1	30	-2.0	-89.19	292.45	0.68	-88.51
COC(=O)C1=C2CCCCN2C(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020199072	0	43	-1.0	-42.27	360.30	4.41	-37.86
COC(=O)C1=C2CCCCN2C(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020199072	1	43	-1.0	-42.29	360.36	4.42	-37.87
COC(=O)C1CS(=O)(=O)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020199073	0	35	-1.0	-48.17	303.56	0.73	-47.44
COC(=O)C1CS(=O)(=O)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020199073	1	35	-1.0	-48.19	303.62	0.74	-47.45
O=C(CCC1=NN=N[N-]1)N[C@@H]1CCCC[C@@H]1N1C=C(Br)C=N1	REAL300020199074	0	39	-1.0	-42.46	333.88	4.28	-38.18
O=C(CCC1=N[N-]N=N1)N[C@@H]1CCCC[C@@H]1N1C=C(Br)C=N1	REAL300020199074	1	39	-1.0	-42.48	333.83	4.26	-38.22
CNC(=O)C1=CC(OC2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)=CC=N1	REAL300020199075	0	46	-1.0	-44.27	400.27	2.13	-42.14
CNC(=O)C1=CC(OC2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2)=CC=N1	REAL300020199075	1	46	-1.0	-44.24	400.22	2.11	-42.13
COC(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=C(O)C(OC)=C1	REAL300020199076	0	37	-1.0	-45.62	325.74	0.49	-45.13
COC(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=C(O)C(OC)=C1	REAL300020199076	1	37	-1.0	-45.59	325.80	0.51	-45.08
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300020199077	0	30	-2.0	-81.15	288.34	2.04	-79.11
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300020199077	1	30	-2.0	-81.20	288.30	2.04	-79.16
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300020199077	1	30	-2.0	-81.16	288.40	2.05	-79.11
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300020199077	1	30	-2.0	-81.21	288.36	2.05	-79.16
CCOC(=O)C1=NNC(NC(=O)CCC2=N[N-]N=N2)=C1C1CC1	REAL300020199078	0	39	-1.0	-38.65	336.22	3.81	-34.84
CCOC(=O)C1=NNC(NC(=O)CCC2=NN=N[N-]2)=C1C1CC1	REAL300020199078	1	39	-1.0	-38.64	336.27	3.82	-34.82
CCOC(=O)C1=C(C2CC2)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020199078	1	39	-1.0	-42.16	338.73	3.82	-38.34
CCOC(=O)C1=C(C2CC2)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020199078	1	39	-1.0	-42.14	338.79	3.82	-38.32
CC(C)(C)OC(=O)N1CC2(CNC(=O)CCC3=N[N-]N=N3)CC1CO2	REAL300020199079	0	48	-1.0	-42.85	384.57	1.83	-41.02
CC(C)(C)OC(=O)N1CC2(CNC(=O)CCC3=NN=N[N-]3)CC1CO2	REAL300020199079	1	48	-1.0	-42.86	384.63	1.85	-41.01
CC1=NN=C([C@@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]2C2CC2)N1	REAL300020199080	0	42	-1.0	-44.53	343.09	5.00	-39.53
CC1=NN=C([C@@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]2C2CC2)N1	REAL300020199080	1	42	-1.0	-44.54	343.15	5.01	-39.53
COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020199081	0	44	-1.0	-44.69	330.97	5.00	-39.69
COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020199081	1	44	-1.0	-44.75	331.03	5.02	-39.73
CCOC(=O)CC(NC(=O)CCC1=N[N-]N=N1)C1CCOCC1	REAL300020199082	0	45	-1.0	-48.12	356.65	3.39	-44.73
CCOC(=O)CC(NC(=O)CCC1=NN=N[N-]1)C1CCOCC1	REAL300020199082	1	45	-1.0	-48.12	356.71	3.41	-44.71
CN(C(=O)CCC1=N[N-]N=N1)C1CCC(N2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300020199083	0	49	-1.0	-44.87	373.18	6.04	-38.83
CN(C(=O)CCC1=NN=N[N-]1)C1CCC(N2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300020199083	1	49	-1.0	-44.85	373.24	6.05	-38.80
COC(=O)C1=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2S1	REAL300020199084	0	35	-1.0	-41.01	324.81	4.69	-36.32
COC(=O)C1=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2S1	REAL300020199084	1	35	-1.0	-41.03	324.87	4.70	-36.33
CN1C(=O)CN(C(=O)CCC2=N[N-]N=N2)C2=CC=C(Br)C=C21	REAL300020199085	0	34	-1.0	-39.98	304.47	4.34	-35.64
CN1C(=O)CN(C(=O)CCC2=NN=N[N-]2)C2=CC=C(Br)C=C21	REAL300020199085	1	34	-1.0	-40.01	304.53	4.35	-35.66
O=C(CCC1=N[N-]N=N1)NC1CCC2(CS(=O)(=O)C2)CC1	REAL300020199086	0	39	-1.0	-47.70	318.80	0.10	-47.60
O=C(CCC1=NN=N[N-]1)NC1CCC2(CS(=O)(=O)C2)CC1	REAL300020199086	1	39	-1.0	-47.70	318.86	0.11	-47.59
COC1=CC=C2SC(NC(=O)CCC3=NN=N[N-]3)=NC2=C1	REAL300020199087	0	32	-1.0	-40.88	292.83	2.44	-38.44
COC1=CC=C2SC(NC(=O)CCC3=N[N-]N=N3)=NC2=C1	REAL300020199087	1	32	-1.0	-40.86	292.77	2.42	-38.44
CC(C)C1=CC=CC=C1OCC(O)CNC(=O)CCC1=N[N-]N=N1	REAL300020199088	0	46	-1.0	-41.87	378.59	1.97	-39.90
CC(C)C1=CC=CC=C1OCC(O)CNC(=O)CCC1=NN=N[N-]1	REAL300020199088	1	46	-1.0	-41.86	378.64	1.98	-39.88
O=C(CCC1=NN=N[N-]1)N1CC2(C1)CC(=O)NC1=NC=CN12	REAL300020199089	0	35	-1.0	-45.09	302.25	3.27	-41.82
O=C(CCC1=N[N-]N=N1)N1CC2(C1)CC(=O)NC1=NC=CN12	REAL300020199089	1	35	-1.0	-45.11	302.19	3.26	-41.85
CN1C=C(N2CC(NC(=O)CCC3=NN=N[N-]3)CC2=O)C=N1	REAL300020199090	0	37	-1.0	-45.75	319.24	1.01	-44.74
CN1C=C(N2CC(NC(=O)CCC3=N[N-]N=N3)CC2=O)C=N1	REAL300020199090	1	37	-1.0	-45.75	319.18	0.99	-44.76
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C2=NC=CN2C)C=C1	REAL300020199091	0	43	-1.0	-44.81	363.74	4.02	-40.79
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C2=NC=CN2C)C=C1	REAL300020199091	1	43	-1.0	-44.79	363.79	4.04	-40.75
O=C(CCC1=N[N-]N=N1)N1C[C@H](O)C[C@H]1C1=NN=C(C2=CC=CC=C2)N1	REAL300020199092	0	43	-1.0	-53.15	365.83	2.46	-50.69
O=C(CCC1=NN=N[N-]1)N1C[C@H](O)C[C@H]1C1=NN=C(C2=CC=CC=C2)N1	REAL300020199092	1	43	-1.0	-53.18	365.88	2.47	-50.71
O=C(CCC1=N[N-]N=N1)NCCC1=CNC2=CN=C(Cl)C=C12	REAL300020199093	0	35	-1.0	-46.54	322.58	2.18	-44.36
O=C(CCC1=NN=N[N-]1)NCCC1=CNC2=CN=C(Cl)C=C12	REAL300020199093	1	35	-1.0	-46.53	322.64	2.20	-44.33
O=C(CCC1=N[N-]N=N1)NCC1=C(Cl)N2C=CC=CC2=N1	REAL300020199094	0	32	-1.0	-44.76	300.85	3.55	-41.21
O=C(CCC1=NN=N[N-]1)NCC1=C(Cl)N2C=CC=CC2=N1	REAL300020199094	1	32	-1.0	-44.76	300.90	3.56	-41.20
COC(=O)C1=C(C)SC(CCNC(=O)CCC2=N[N-]N=N2)=N1	REAL300020199095	0	37	-1.0	-45.37	337.11	1.79	-43.58
COC(=O)C1=C(C)SC(CCNC(=O)CCC2=NN=N[N-]2)=N1	REAL300020199095	1	37	-1.0	-45.42	337.17	1.81	-43.61
C=CCOC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC	REAL300020199096	0	41	-1.0	-46.48	371.59	2.78	-43.70
C=CCOC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC	REAL300020199096	1	41	-1.0	-46.48	371.64	2.75	-43.73
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(C=CC3=C2C=CC=C3)N1	REAL300020199097	0	39	-1.0	-46.94	358.51	4.27	-42.67
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(C=CC3=C2C=CC=C3)N1	REAL300020199097	1	39	-1.0	-46.89	358.57	4.24	-42.65
O=C(CCC1=CC=C(Cl)C=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199098	0	35	-1.0	-43.43	354.72	4.47	-38.96
O=C(CCC1=CC=C(Cl)C=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199098	1	35	-1.0	-43.42	354.78	4.44	-38.98
CC1=CC=C2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)NC2=C1	REAL300020199099	0	36	-1.0	-44.97	333.34	2.66	-42.31
CC1=CC=C2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)NC2=C1	REAL300020199099	1	36	-1.0	-44.95	333.39	2.63	-42.32
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCN(C2=NC=CC=N2)C1	REAL300020199100	0	42	-1.0	-48.71	368.67	2.00	-46.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCN(C2=NC=CC=N2)C1	REAL300020199100	1	42	-1.0	-48.76	368.62	2.03	-46.73
CS(=O)(=O)NCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199101	0	33	-1.0	-51.35	321.36	-4.12	-55.47
CS(=O)(=O)NCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199101	1	33	-1.0	-51.36	321.42	-4.15	-55.51
CC1=NNC(C)=C1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199102	0	38	-1.0	-46.42	344.72	1.08	-45.34
CC1=NNC(C)=C1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199102	1	38	-1.0	-46.40	344.77	1.05	-45.35
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2CCCC2=C1	REAL300020199103	0	36	-1.0	-45.15	323.75	3.97	-41.18
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2CCCC2=C1	REAL300020199103	1	36	-1.0	-45.14	323.80	3.94	-41.20
O=C(CC1=CN(C2=CC=CC=C2)N=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199104	0	39	-1.0	-50.20	361.72	3.92	-46.28
O=C(CC1=CN(C2=CC=CC=C2)N=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199104	1	39	-1.0	-50.21	361.67	3.94	-46.27
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(CN2C(=O)CNC2=O)=C1	REAL300020199105	0	41	-1.0	-53.45	381.02	0.67	-52.78
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(CN2C(=O)CNC2=O)=C1	REAL300020199105	1	41	-1.0	-53.50	381.07	0.64	-52.86
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=CC(F)=CC=C2N1	REAL300020199106	0	33	-1.0	-44.47	318.37	2.07	-42.40
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=CC(F)=CC=C2N1	REAL300020199106	1	33	-1.0	-44.41	318.42	2.04	-42.37
CC1=CC=C(OCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C	REAL300020199107	0	42	-1.0	-45.60	371.10	3.59	-42.01
CC1=CC=C(OCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C	REAL300020199107	1	42	-1.0	-45.58	371.16	3.56	-42.02
CC1=CC(C)=CC(OCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020199108	0	42	-1.0	-45.58	375.52	3.71	-41.87
CC1=CC(C)=CC(OCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020199108	1	42	-1.0	-45.50	375.57	3.68	-41.82
CC(=O)NC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CS1	REAL300020199109	0	39	-1.0	-48.93	372.41	1.41	-47.52
CC(=O)NC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CS1	REAL300020199109	1	39	-1.0	-48.91	372.46	1.38	-47.53
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C(F)(F)F)N=C1	REAL300020199110	0	31	-1.0	-44.64	312.95	1.28	-43.36
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C(F)(F)F)N=C1	REAL300020199110	1	31	-1.0	-44.72	312.89	1.31	-43.41
CC1=CC(C)=NC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=NN21	REAL300020199111	0	37	-1.0	-55.74	345.56	2.17	-53.57
CC1=CC(C)=NC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=NN21	REAL300020199111	1	37	-1.0	-55.69	345.61	2.14	-53.55
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(OCC2CCCO2)=C1	REAL300020199112	0	44	-1.0	-49.74	386.63	2.76	-46.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(OCC2CCCO2)=C1	REAL300020199112	1	44	-1.0	-49.74	386.68	2.73	-47.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C(F)(F)F)C=N1	REAL300020199113	0	31	-1.0	-43.91	314.61	1.31	-42.60
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C(F)(F)F)C=N1	REAL300020199113	1	31	-1.0	-43.96	314.55	1.34	-42.62
O=C(CCNC(=O)C1=CC=CS1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199114	0	36	-1.0	-51.75	351.46	0.20	-51.55
O=C(CCNC(=O)C1=CC=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199114	1	36	-1.0	-51.71	351.51	0.17	-51.54
O=C(CCCNC(=O)C1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199115	0	42	-1.0	-50.23	380.82	1.99	-48.24
O=C(CCCNC(=O)C1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199115	1	42	-1.0	-50.14	380.87	1.96	-48.18
COC1=CC=C(C(C)=O)C=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199116	0	41	-1.0	-51.29	373.69	2.60	-48.69
COC1=CC=C(C(C)=O)C=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199116	1	41	-1.0	-51.22	373.74	2.57	-48.65
O=C(CCC1=CC=CS1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199117	0	32	-1.0	-44.43	314.46	2.64	-41.79
O=C(CCC1=CC=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199117	1	32	-1.0	-44.38	314.51	2.62	-41.76
O=C(COCC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199118	0	36	-1.0	-48.33	337.31	3.13	-45.20
O=C(COCC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199118	1	36	-1.0	-48.30	337.36	3.10	-45.20
CCC1=CC=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199119	0	41	-1.0	-44.31	367.12	4.99	-39.32
CCC1=CC=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199119	1	41	-1.0	-44.28	367.18	4.97	-39.31
COC1=CC=CC(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1OC	REAL300020199120	0	43	-1.0	-46.71	383.29	2.81	-43.90
COC1=CC=CC(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1OC	REAL300020199120	1	43	-1.0	-46.67	383.34	2.78	-43.89
COC1=CC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2C=C1	REAL300020199121	0	39	-1.0	-46.41	353.71	3.63	-42.78
COC1=CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2C=C1	REAL300020199121	1	39	-1.0	-46.41	353.76	3.60	-42.81
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Br)=CC=C1F	REAL300020199122	0	29	-1.0	-45.50	304.06	2.76	-42.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Br)=CC=C1F	REAL300020199122	1	29	-1.0	-45.43	304.11	2.74	-42.69
CC1=NOC(C)=C1CSCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199123	0	38	-1.0	-50.06	364.39	2.88	-47.18
CC1=NOC(C)=C1CSCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199123	1	38	-1.0	-50.01	364.44	2.86	-47.15
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NNC(=O)C2=CC=CC=C21	REAL300020199176	1	34	-1.0	-45.99	321.80	-0.10	-46.09
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([N+](=O)[O-])O1	REAL300020199177	0	28	-1.0	-46.60	292.90	0.72	-45.88
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([N+](=O)[O-])O1	REAL300020199177	1	28	-1.0	-46.57	292.95	0.70	-45.87
O=C(COC1=CC=C(Cl)C=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199178	0	33	-1.0	-48.13	344.51	3.67	-44.46
O=C(COC1=CC=C(Cl)C=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199178	1	33	-1.0	-48.11	344.56	3.65	-44.46
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1Br	REAL300020199179	0	29	-1.0	-45.43	294.48	2.69	-42.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1Br	REAL300020199179	1	29	-1.0	-45.40	294.53	2.66	-42.74
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1Cl	REAL300020199180	0	29	-1.0	-45.78	290.74	2.58	-43.20
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1Cl	REAL300020199180	1	29	-1.0	-45.78	290.80	2.55	-43.23
CCCC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020199181	0	41	-1.0	-44.32	359.84	4.73	-39.59
CCCC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020199181	1	41	-1.0	-44.26	359.88	4.70	-39.56
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O=C(CN1C=NC2=CC=CC=C2C1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199182	1	37	-1.0	-52.36	348.49	3.24	-49.12
CC1=CC=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020199183	0	33	-1.0	-46.01	317.29	2.26	-43.75
CC1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020199183	1	33	-1.0	-45.96	317.34	2.23	-43.73
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COC1=CC=CC(C(=O)NCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020199187	0	40	-1.0	-49.25	366.66	-0.15	-49.40
COC1=CC=CC(C(=O)NCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020199187	1	40	-1.0	-49.29	366.71	-0.17	-49.46
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O=C(CNC(=O)C1=CC=C2OCOC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199188	1	39	-1.0	-48.99	363.26	-0.80	-49.79
CCOC1=CC=C(C(=O)NCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199189	0	43	-1.0	-47.34	388.44	0.79	-46.55
CCOC1=CC=C(C(=O)NCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199189	1	43	-1.0	-47.31	388.49	0.77	-46.54
CCOC(=O)N1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020199190	0	43	-1.0	-47.86	374.02	1.88	-45.98
CCOC(=O)N1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020199190	1	43	-1.0	-47.85	374.07	1.85	-46.00
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CCCCOC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199192	0	42	-1.0	-44.27	372.47	3.88	-40.39
CCCCOC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199192	1	42	-1.0	-44.26	372.52	3.87	-40.39
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O=C(CC1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199193	1	34	-1.0	-48.98	331.11	3.39	-45.59
O=C(CCSC1=CC=CC=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199194	0	36	-1.0	-45.37	358.04	4.46	-40.91
O=C(CCSC1=CC=CC=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199194	1	36	-1.0	-45.35	358.10	4.43	-40.92
CCOC(=O)C1=C(C)NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C	REAL300020199195	0	42	-1.0	-47.49	382.92	2.72	-44.77
CCOC(=O)C1=C(C)NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C	REAL300020199195	1	42	-1.0	-47.47	382.97	2.69	-44.78
O=C(CCN1C(=O)C2CCCCC2C1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199196	0	45	-1.0	-48.41	391.87	2.41	-46.00
O=C(CCN1C(=O)C2CCCCC2C1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199196	1	45	-1.0	-48.41	391.92	2.38	-46.03
CC1=NC2=CC=CC=C2C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020199197	0	37	-1.0	-45.89	335.99	3.04	-42.85
CC1=NC2=CC=CC=C2C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020199197	1	37	-1.0	-45.83	336.04	3.01	-42.82
CC1=CC=CC=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199198	0	35	-1.0	-45.45	319.61	3.23	-42.22
CC1=CC=CC=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199198	1	35	-1.0	-45.38	319.66	3.20	-42.18
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199199	0	35	-1.0	-49.06	340.94	3.92	-45.14
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199199	1	35	-1.0	-48.99	340.99	3.89	-45.10
O=C(CC1=CC=C(Br)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199200	0	32	-1.0	-45.31	324.13	3.37	-41.94
O=C(CC1=CC=C(Br)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199200	1	32	-1.0	-45.32	324.18	3.34	-41.98
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(F)C=C1Cl	REAL300020199201	0	29	-1.0	-43.72	297.13	2.64	-41.08
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)C=C1Cl	REAL300020199201	1	29	-1.0	-43.67	297.18	2.61	-41.06
O=C(CC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199202	0	34	-1.0	-49.39	323.44	3.08	-46.31
O=C(CC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199202	1	34	-1.0	-49.34	323.50	3.05	-46.29
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC(=O)C=C1	REAL300020199203	0	29	-1.0	-48.20	282.83	-1.02	-49.22
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC(=O)C=C1	REAL300020199203	1	29	-1.0	-48.16	282.88	-1.05	-49.21
O=C(CSC1=CC=NC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199204	0	32	-1.0	-46.73	316.53	1.41	-45.32
O=C(CSC1=CC=NC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199204	1	32	-1.0	-46.78	316.48	1.44	-45.34
COC1=CC=C(C(=O)NCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199205	0	40	-1.0	-47.62	366.58	-0.14	-47.76
COC1=CC=C(C(=O)NCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199205	1	40	-1.0	-47.58	366.64	-0.17	-47.75
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(=O)NC2=CC=CC=C21	REAL300020199206	0	35	-1.0	-48.02	325.01	1.15	-46.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(=O)NC2=CC=CC=C21	REAL300020199206	1	35	-1.0	-47.98	325.06	1.12	-46.86
CC1=CC=C(OCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199207	0	39	-1.0	-45.27	354.11	3.05	-42.22
CC1=CC=C(OCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199207	1	39	-1.0	-45.23	354.16	3.02	-42.21
O=C(CCSC1=CC=C(Cl)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199208	0	36	-1.0	-43.97	359.75	4.53	-39.44
O=C(CCSC1=CC=C(Cl)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199208	1	36	-1.0	-43.95	359.80	4.50	-39.45
COC1=CC=C(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199209	0	37	-1.0	-48.30	341.25	1.92	-46.38
COC1=CC=C(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199209	1	37	-1.0	-48.27	341.30	1.89	-46.38
O=C(CCC1=NC2=CC=CC=C2S1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199210	0	37	-1.0	-47.09	355.90	2.98	-44.11
O=C(CCC1=NC2=CC=CC=C2S1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199210	1	37	-1.0	-47.05	355.95	2.95	-44.10
O=C(COC1=CC=CC=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199211	0	33	-1.0	-49.37	327.78	3.17	-46.20
O=C(COC1=CC=CC=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199211	1	33	-1.0	-49.33	327.84	3.14	-46.19
CC1=CC=CC(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020199212	0	36	-1.0	-47.79	333.16	3.31	-44.48
CC1=CC=CC(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020199212	1	36	-1.0	-47.74	333.21	3.28	-44.46
CC1=CC=C(SCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C	REAL300020199213	0	42	-1.0	-45.30	381.42	5.21	-40.09
CC1=CC=C(SCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C	REAL300020199213	1	42	-1.0	-45.23	381.47	5.19	-40.04
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199214	0	35	-1.0	-45.85	332.96	2.73	-43.12
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199214	1	35	-1.0	-45.81	333.01	2.71	-43.10
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL300020199215	0	43	-1.0	-46.99	389.48	5.34	-41.65
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL300020199215	1	43	-1.0	-46.91	389.53	5.32	-41.59
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300020199216	0	43	-1.0	-47.65	389.45	5.34	-42.31
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300020199216	1	43	-1.0	-47.55	389.51	5.31	-42.24
CCOC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199217	0	39	-1.0	-47.10	354.19	2.97	-44.13
CCOC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199217	1	39	-1.0	-47.07	354.25	2.94	-44.13
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)N1C1=CC=CC=C1C	REAL300020199218	0	46	-1.0	-46.65	404.91	6.89	-39.76
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)N1C1=CC=CC=C1C	REAL300020199218	1	46	-1.0	-46.66	404.96	6.87	-39.79
CC1=NOC(C)=C1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199219	0	37	-1.0	-46.06	341.36	2.31	-43.75
CC1=NOC(C)=C1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199219	1	37	-1.0	-46.00	341.42	2.28	-43.72
CCOC1=CC=C(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199220	0	40	-1.0	-48.08	363.11	2.84	-45.24
CCOC1=CC=C(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199220	1	40	-1.0	-48.04	363.16	2.81	-45.23
CC1SC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2NC1=O	REAL300020199221	0	38	-1.0	-46.04	357.64	1.79	-44.25
CC1SC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2NC1=O	REAL300020199221	1	38	-1.0	-46.03	357.69	1.76	-44.27
O=C(COC1=CC=C2C=CC(=O)OC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199222	0	38	-1.0	-57.63	359.45	4.14	-53.49
O=C(COC1=CC=C2C=CC(=O)OC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199222	1	38	-1.0	-57.64	359.50	4.11	-53.53
COC1=CC(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1OCC#N	REAL300020199223	0	42	-1.0	-53.01	392.58	3.17	-49.84
COC1=CC(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1OCC#N	REAL300020199223	1	42	-1.0	-52.99	392.64	3.15	-49.84
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300020199224	0	35	-1.0	-44.72	353.62	3.57	-41.15
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300020199224	1	35	-1.0	-44.75	353.57	3.60	-41.15
O=C(CN1C=CC=CC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199225	0	32	-1.0	-51.91	307.00	1.36	-50.55
O=C(CN1C=CC=CC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199225	1	32	-1.0	-51.87	307.06	1.33	-50.54
NS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1Cl	REAL300020199226	0	34	-1.0	-49.82	345.43	-2.44	-52.26
NS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1Cl	REAL300020199226	1	34	-1.0	-49.80	345.48	-2.47	-52.27
CC1=CC(C(=O)NCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(C)=C1	REAL300020199227	0	42	-1.0	-47.20	379.99	1.89	-45.31
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CN(C)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020199279	0	39	-1.0	-48.54	358.45	3.32	-45.22
CN(C)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020199279	1	39	-1.0	-48.48	358.50	3.30	-45.18
CSCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020199280	0	33	-1.0	-46.73	329.07	2.11	-44.62
CSCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020199280	1	33	-1.0	-46.69	329.13	2.09	-44.60
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(COC2=CC=CC=C2)O1	REAL300020199281	0	40	-1.0	-48.02	374.22	3.50	-44.52
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(COC2=CC=CC=C2)O1	REAL300020199281	1	40	-1.0	-47.97	374.28	3.47	-44.50
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199282	0	36	-2.0	-94.30	346.02	-0.86	-95.16
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199282	1	36	-2.0	-94.24	346.07	-0.89	-95.13
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199283	0	37	-1.0	-50.43	363.33	-1.48	-51.91
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199283	1	37	-1.0	-50.38	363.38	-1.51	-51.89
CC1=CC=CC=C1C(=O)NC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)C	REAL300020199284	0	48	-1.0	-46.34	404.02	3.43	-42.91
CC1=CC=CC=C1C(=O)NC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)C	REAL300020199284	1	48	-1.0	-46.33	404.07	3.40	-42.93
O=C(CNS(=O)(=O)C1=CC=CC=C1F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199285	0	37	-1.0	-51.89	355.27	-1.80	-53.69
O=C(CNS(=O)(=O)C1=CC=CC=C1F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199285	1	37	-1.0	-51.83	355.32	-1.83	-53.66
CCC1=CC=C(C(=O)CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199286	0	43	-1.0	-46.16	387.34	4.82	-41.34
CCC1=CC=C(C(=O)CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199286	1	43	-1.0	-46.07	387.40	4.79	-41.28
O=C(CSC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199287	0	33	-1.0	-46.01	321.36	3.21	-42.80
O=C(CSC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199287	1	33	-1.0	-46.00	321.41	3.18	-42.82
COC1=CC=CC=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199288	0	36	-1.0	-47.70	331.15	2.10	-45.60
COC1=CC=CC=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199288	1	36	-1.0	-47.67	331.20	2.07	-45.60
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020199289	0	34	-1.0	-48.05	322.37	3.25	-44.80
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020199289	1	34	-1.0	-48.00	322.42	3.22	-44.78
COC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(OC)=C1C	REAL300020199290	0	40	-1.0	-44.53	355.84	1.48	-43.05
COC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(OC)=C1C	REAL300020199290	1	40	-1.0	-44.49	355.89	1.46	-43.03
COC1=CC=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC	REAL300020199291	0	43	-1.0	-47.82	382.98	2.75	-45.07
COC1=CC=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC	REAL300020199291	1	43	-1.0	-47.72	383.04	2.72	-45.00
O=C(CCNS(=O)(=O)C1=CC=CS1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199292	0	37	-1.0	-50.59	370.91	-1.90	-52.49
O=C(CCNS(=O)(=O)C1=CC=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199292	1	37	-1.0	-50.55	370.96	-1.93	-52.48
CC1=CC=C(OC(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199293	0	39	-1.0	-47.25	350.60	3.89	-43.36
CC1=CC=C(OC(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199293	1	39	-1.0	-47.19	350.65	3.86	-43.33
CC1=CC=CC(OC(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020199294	0	39	-1.0	-47.23	349.79	3.93	-43.30
CC1=CC=CC(OC(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020199294	1	39	-1.0	-47.22	349.85	3.90	-43.32
CNC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020199295	0	36	-1.0	-48.43	338.43	1.77	-46.66
CNC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020199295	1	36	-1.0	-48.38	338.48	1.74	-46.64
CC(C)C1=CC=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199296	0	42	-1.0	-44.61	372.89	5.17	-39.44
CC(C)C1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199296	1	42	-1.0	-44.55	372.94	5.14	-39.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300020199297	0	40	-1.0	-51.30	365.30	2.55	-48.75
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300020199297	1	40	-1.0	-51.20	365.36	2.52	-48.68
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199298	0	37	-1.0	-49.95	348.48	-2.31	-52.26
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199298	1	37	-1.0	-49.91	348.54	-2.34	-52.25
NS(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020199299	0	34	-1.0	-51.43	336.97	-2.91	-54.34
NS(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020199299	1	34	-1.0	-51.42	337.02	-2.94	-54.36
O=C(CN1C(=O)CNC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199300	0	31	-1.0	-53.88	303.21	-2.73	-56.61
O=C(CN1C(=O)CNC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199300	1	31	-1.0	-53.80	303.26	-2.76	-56.56
O=C(C=CC1=CC=C(Br)S1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199301	0	30	-1.0	-44.02	324.62	3.07	-40.95
O=C(C=CC1=CC=C(Br)S1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199301	1	30	-1.0	-43.98	324.67	3.04	-40.94
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199302	0	37	-1.0	-51.56	363.34	-1.48	-53.04
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199302	1	37	-1.0	-51.51	363.39	-1.51	-53.02
O=C(CCCC1=CC=CS1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199303	0	35	-1.0	-45.57	335.96	3.43	-42.14
O=C(CCCC1=CC=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199303	1	35	-1.0	-45.54	336.01	3.40	-42.14
O=C(CN1C=CC(C(F)(F)F)=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199304	0	32	-1.0	-51.46	324.45	1.12	-50.34
O=C(CN1C=CC(C(F)(F)F)=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199304	1	32	-1.0	-51.52	324.40	1.15	-50.37
CC1=CC=C(C)N1C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199305	0	43	-1.0	-44.50	386.17	6.11	-38.39
CC1=CC=C(C)N1C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199305	1	43	-1.0	-44.50	386.22	6.09	-38.41
COC1=CC=CC=C1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199306	0	39	-1.0	-45.73	352.56	2.91	-42.82
COC1=CC=CC=C1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199306	1	39	-1.0	-45.68	352.61	2.88	-42.80
CCC1=CC=C(N2CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CC2=O)C=C1	REAL300020199307	0	46	-1.0	-50.06	399.92	4.44	-45.62
CCC1=CC=C(N2CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CC2=O)C=C1	REAL300020199307	1	46	-1.0	-50.12	399.97	4.41	-45.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CO)C=C1	REAL300020199308	0	33	-1.0	-47.01	311.02	-0.61	-47.62
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(CO)C=C1	REAL300020199308	1	33	-1.0	-46.96	311.07	-0.63	-47.59
O=C(CSCC1=CC=CS1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199309	0	33	-1.0	-46.68	337.49	3.20	-43.48
O=C(CSCC1=CC=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199309	1	33	-1.0	-46.66	337.54	3.18	-43.48
CC1=CC=CC(N2N=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CCC2=O)=C1	REAL300020199310	0	43	-1.0	-47.32	388.92	3.38	-43.94
CC1=CC=CC(N2N=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CCC2=O)=C1	REAL300020199310	1	43	-1.0	-47.28	388.97	3.35	-43.93
O=C(C=CC1=CC=C(Br)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199311	0	33	-1.0	-44.40	334.04	3.88	-40.52
O=C(C=CC1=CC=C(Br)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199311	1	33	-1.0	-44.38	334.09	3.85	-40.53
O=C(CCSC1=CC=C(F)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199312	0	36	-1.0	-44.37	349.43	4.08	-40.29
O=C(CCSC1=CC=C(F)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199312	1	36	-1.0	-44.33	349.48	4.05	-40.28
CC1=CC=C(SCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199313	0	36	-1.0	-45.93	342.76	3.88	-42.05
CC1=CC=C(SCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199313	1	36	-1.0	-45.91	342.82	3.85	-42.06
CC1=CC=C(SCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1	REAL300020199314	0	39	-1.0	-45.91	361.26	4.45	-41.46
CC1=CC=C(SCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1	REAL300020199314	1	39	-1.0	-45.86	361.31	4.42	-41.44
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(CCCC2=O)NC1=O	REAL300020199315	0	38	-1.0	-59.64	345.92	0.82	-58.82
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(CCCC2=O)NC1=O	REAL300020199315	1	38	-1.0	-59.60	345.97	0.79	-58.81
CC1=CC=C2C(=O)N(CC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C(=O)C2=C1	REAL300020199316	0	39	-1.0	-52.82	369.43	2.60	-50.22
CC1=CC=C2C(=O)N(CC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C(=O)C2=C1	REAL300020199316	1	39	-1.0	-52.84	369.48	2.57	-50.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(N2C=NN=N2)C=CS1	REAL300020199317	0	31	-1.0	-53.74	317.03	1.67	-52.07
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(N2C=NN=N2)C=CS1	REAL300020199317	1	31	-1.0	-53.74	316.98	1.70	-52.04
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199318	0	34	-1.0	-49.58	332.34	-2.98	-52.56
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199318	1	34	-1.0	-49.53	332.40	-3.01	-52.54
CCNS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020199319	0	40	-1.0	-50.14	375.83	-0.92	-51.06
CCNS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020199319	1	40	-1.0	-50.10	375.88	-0.95	-51.05
CC(OC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199320	0	37	-1.0	-48.41	349.20	3.65	-44.76
CC(OC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199320	1	37	-1.0	-48.40	349.25	3.62	-44.78
O=C(CCC(=O)C1=CC=C2CCCCC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199321	0	47	-1.0	-46.54	407.18	5.87	-40.67
O=C(CCC(=O)C1=CC=C2CCCCC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199321	1	47	-1.0	-46.57	407.23	5.84	-40.73
CC(OC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199322	0	36	-1.0	-46.43	334.81	3.31	-43.12
CC(OC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199322	1	36	-1.0	-46.38	334.86	3.28	-43.10
O=C(CCC(=O)C1=CC=C2CCCC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199323	0	44	-1.0	-46.94	390.00	5.29	-41.65
O=C(CCC(=O)C1=CC=C2CCCC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199323	1	44	-1.0	-46.86	390.05	5.26	-41.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=NC=CN=C2C=C1	REAL300020199324	0	33	-1.0	-48.94	314.28	0.48	-48.46
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=NC=CN=C2C=C1	REAL300020199324	1	33	-1.0	-48.93	314.23	0.51	-48.42
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199325	0	36	-1.0	-45.02	351.44	4.26	-40.76
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199325	1	36	-1.0	-44.94	351.50	4.23	-40.71
CCC1(CC)NC(=O)N(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1=O	REAL300020199326	0	43	-1.0	-51.67	379.88	0.60	-51.07
CCC1(CC)NC(=O)N(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1=O	REAL300020199326	1	43	-1.0	-51.63	379.94	0.57	-51.06
CCOC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(Cl)=C1O	REAL300020199327	0	37	-1.0	-45.18	356.24	0.67	-44.51
CCOC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(Cl)=C1O	REAL300020199327	1	37	-1.0	-45.12	356.29	0.65	-44.47
CCOC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(Cl)=C1[O-]	REAL300020199327	1	36	-2.0	-90.68	352.68	1.59	-89.09
CCOC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(Cl)=C1[O-]	REAL300020199327	1	36	-2.0	-90.62	352.73	1.58	-89.04
O=C(CSCC(=O)N1CCOCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199328	0	41	-1.0	-54.89	375.66	0.27	-54.62
O=C(CSCC(=O)N1CCOCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199328	1	41	-1.0	-54.87	375.72	0.24	-54.63
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O=C(CC1=CSC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199485	0	29	-1.0	-45.21	292.82	1.68	-43.53
O=C(CC1=CSC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199485	1	29	-1.0	-45.18	292.87	1.65	-43.53
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CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199486	1	32	-1.0	-44.67	299.67	2.71	-41.96
O=C(COC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199487	0	33	-1.0	-47.61	311.75	2.63	-44.98
O=C(COC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199487	1	33	-1.0	-47.58	311.81	2.60	-44.98
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020199489	0	40	-1.0	-46.92	368.61	4.97	-41.95
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020199489	1	40	-1.0	-46.89	368.66	4.94	-41.95
O=C(CCC(=O)C1=CC=CS1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199490	0	34	-1.0	-46.21	335.34	2.47	-43.74
O=C(CCC(=O)C1=CC=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199490	1	34	-1.0	-46.12	335.39	2.44	-43.68
NC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020199491	0	33	-1.0	-48.88	316.66	0.80	-48.08
NC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020199491	1	33	-1.0	-48.82	316.72	0.77	-48.05
COC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199492	0	33	-1.0	-48.19	305.54	2.62	-45.57
COC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199492	1	33	-1.0	-48.15	305.59	2.59	-45.56
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020199495	0	31	-1.0	-44.87	306.39	2.73	-42.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020199495	1	31	-1.0	-44.79	306.44	2.70	-42.09
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC=C1	REAL300020199496	0	29	-1.0	-43.95	287.26	1.74	-42.21
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=C1	REAL300020199496	1	29	-1.0	-43.94	287.32	1.72	-42.22
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020199497	0	29	-1.0	-44.29	292.16	1.86	-42.43
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020199497	1	29	-1.0	-44.24	292.21	1.83	-42.41
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(Cl)=C1	REAL300020199499	0	29	-1.0	-44.37	294.95	2.57	-41.80
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(Cl)=C1	REAL300020199499	1	29	-1.0	-44.30	295.00	2.54	-41.76
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300020199500	0	32	-1.0	-45.01	316.91	3.05	-41.96
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300020199500	1	32	-1.0	-44.96	316.96	3.03	-41.93
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300020199501	0	31	-1.0	-49.59	319.25	4.24	-45.35
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300020199501	1	31	-1.0	-49.57	319.30	4.22	-45.35
O=C(C=CC1=CC=CO1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199502	0	30	-1.0	-45.94	295.38	1.44	-44.50
O=C(C=CC1=CC=CO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199502	1	30	-1.0	-45.93	295.43	1.41	-44.52
O=C(C=CC1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199503	0	35	-1.0	-47.83	340.92	3.92	-43.91
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COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199504	0	33	-1.0	-44.96	307.62	1.37	-43.59
COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199504	1	33	-1.0	-44.89	307.67	1.35	-43.54
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199505	0	36	-1.0	-47.27	361.95	4.26	-43.01
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199505	1	36	-1.0	-47.22	362.00	4.23	-42.99
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)C=C1Cl	REAL300020199506	0	29	-1.0	-43.54	307.46	3.08	-40.46
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COC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC	REAL300020199508	0	40	-1.0	-49.69	361.58	1.94	-47.75
COC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC	REAL300020199508	1	40	-1.0	-49.62	361.64	1.91	-47.71
COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC	REAL300020199509	0	37	-1.0	-46.71	336.83	1.28	-45.43
COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC	REAL300020199509	1	37	-1.0	-46.65	336.88	1.25	-45.40
CSC1=CC=C(Cl)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020199510	0	33	-1.0	-45.99	330.89	3.60	-42.39
CSC1=CC=C(Cl)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020199510	1	33	-1.0	-45.95	330.94	3.57	-42.38
O=C(CC1=C(Cl)C=CC=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199511	0	32	-1.0	-45.43	330.95	3.59	-41.84
O=C(CC1=C(Cl)C=CC=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199511	1	32	-1.0	-45.36	331.00	3.57	-41.79
O=C(CC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199512	0	35	-1.0	-47.29	341.57	3.74	-43.55
O=C(CC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199512	1	35	-1.0	-47.28	341.62	3.71	-43.57
CCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199513	0	35	-1.0	-44.48	321.10	3.51	-40.97
CCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199513	1	35	-1.0	-44.42	321.15	3.48	-40.94
COC(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC([N+](=O)[O-])=C1	REAL300020199514	0	37	-1.0	-46.89	361.14	3.39	-43.50
COC(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC([N+](=O)[O-])=C1	REAL300020199514	1	37	-1.0	-46.92	361.19	3.36	-43.56
CC1=CC(Cl)=CC=C1OCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199515	0	36	-1.0	-46.62	348.56	3.86	-42.76
CC1=CC(Cl)=CC=C1OCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199515	1	36	-1.0	-46.59	348.61	3.83	-42.76
O=C(C=CC1=CC=CC(Cl)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199516	0	33	-1.0	-44.83	329.48	3.77	-41.06
O=C(C=CC1=CC=CC(Cl)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199516	1	33	-1.0	-44.81	329.53	3.74	-41.07
COC1=CC=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(OC)=C1	REAL300020199517	0	41	-1.0	-48.26	369.84	1.91	-46.35
COC1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(OC)=C1	REAL300020199517	1	41	-1.0	-48.21	369.89	1.88	-46.33
COC1=CC=CC(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020199518	0	37	-1.0	-46.48	342.23	2.55	-43.93
COC1=CC=CC(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020199518	1	37	-1.0	-46.41	342.28	2.52	-43.89
O=C(C=CC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199519	0	35	-1.0	-53.75	338.44	3.82	-49.93
O=C(C=CC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199519	1	35	-1.0	-53.69	338.49	3.79	-49.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2C=CC=CC2=NN1	REAL300020199520	0	32	-1.0	-46.54	305.27	0.76	-45.78
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2C=CC=CC2=NN1	REAL300020199520	1	32	-1.0	-46.50	305.32	0.73	-45.77
CC1=NC(COC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)=NO1	REAL300020199521	0	41	-1.0	-49.79	380.96	0.88	-48.91
CC1=NC(COC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)=NO1	REAL300020199521	1	41	-1.0	-49.75	381.01	0.85	-48.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(OC(F)F)=C1	REAL300020199522	0	33	-1.0	-46.79	317.45	1.64	-45.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(OC(F)F)=C1	REAL300020199522	1	33	-1.0	-46.76	317.50	1.62	-45.14
COC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020199523	0	33	-1.0	-46.62	307.69	1.36	-45.26
COC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020199523	1	33	-1.0	-46.55	307.74	1.33	-45.22
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O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199524	1	42	-1.0	-47.28	377.10	6.13	-41.15
COC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199525	0	36	-1.0	-47.27	332.34	2.05	-45.22
COC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020199525	1	36	-1.0	-47.22	332.39	2.02	-45.20
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1=NNC(=O)C=C1	REAL300020199526	0	38	-1.0	-47.81	354.95	0.40	-47.41
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C1=NNC(=O)C=C1	REAL300020199526	1	38	-1.0	-47.77	355.00	0.38	-47.39
COC1=CC=CC=C1C=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199527	0	37	-1.0	-47.82	341.11	2.62	-45.20
COC1=CC=CC=C1C=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199527	1	37	-1.0	-47.78	341.16	2.59	-45.19
O=C(CSC1=CC2=CC=CC=C2C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199528	0	39	-1.0	-47.26	367.45	5.48	-41.78
O=C(CSC1=CC2=CC=CC=C2C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199528	1	39	-1.0	-47.26	367.50	5.45	-41.81
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C[N+]([O-])=C1	REAL300020199529	0	29	-1.0	-57.40	285.48	0.68	-56.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C[N+]([O-])=C1	REAL300020199529	1	29	-1.0	-57.34	285.53	0.65	-56.69
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1	REAL300020199530	0	35	-1.0	-44.12	315.69	3.41	-40.71
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1	REAL300020199530	1	35	-1.0	-44.09	315.74	3.38	-40.71
O=C(CC1=CC=CC2=CC=CC=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199531	0	38	-1.0	-47.67	345.51	4.87	-42.80
O=C(CC1=CC=CC2=CC=CC=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199531	1	38	-1.0	-47.63	345.57	4.84	-42.79
CC1=NN(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)C(C)=C1	REAL300020199532	0	42	-1.0	-47.42	377.32	4.24	-43.18
CC1=NN(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)C(C)=C1	REAL300020199532	1	42	-1.0	-47.37	377.38	4.22	-43.15
O=C(CCCOC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199533	0	39	-1.0	-47.42	354.20	3.14	-44.28
O=C(CCCOC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199533	1	39	-1.0	-47.47	354.26	3.11	-44.36
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2N=CSC2=C1	REAL300020199534	0	31	-1.0	-46.26	309.35	1.43	-44.83
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2N=CSC2=C1	REAL300020199534	1	31	-1.0	-46.31	309.30	1.45	-44.86
CC1=CC=C(C(=O)NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)C)C=C1	REAL300020199535	0	48	-1.0	-44.95	409.85	3.48	-41.47
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CCOC1=CC=C(OCCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199536	0	46	-1.0	-48.09	405.55	3.35	-44.74
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CC1CCC2=C(C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)S2)C1	REAL300020199830	0	39	-1.0	-44.04	354.77	4.28	-39.76
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CC(C)COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020199941	0	42	-1.0	-44.34	371.07	3.79	-40.55
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CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)N1CC(F)(F)F	REAL300020199942	1	39	-1.0	-47.54	359.49	3.74	-43.80
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CC(C)C(NC(=O)C1=CC=CO1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199946	0	42	-1.0	-46.03	376.76	1.05	-44.98
CC(C)C(NC(=O)C1=CC=CO1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199946	1	42	-1.0	-46.01	376.81	1.02	-44.99
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COC1=CC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C(C)N=C2C=C1	REAL300020200000	1	41	-1.0	-46.38	365.19	2.39	-43.99
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020200001	0	37	-1.0	-48.24	360.37	-1.90	-50.14
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020200001	1	37	-1.0	-48.23	360.42	-1.93	-50.16
O=C(CN1C=C(Br)C=CC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200002	0	32	-1.0	-54.15	328.30	1.95	-52.20
O=C(CN1C=C(Br)C=CC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200002	1	32	-1.0	-54.06	328.35	1.92	-52.14
CC(NS(=O)(=O)C1=CC=CS1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200003	0	37	-1.0	-51.45	365.14	-1.94	-53.39
CC(NS(=O)(=O)C1=CC=CS1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200003	1	37	-1.0	-51.49	365.19	-1.97	-53.46
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200004	0	39	-1.0	-50.66	370.48	0.31	-50.35
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200004	1	39	-1.0	-50.57	370.53	0.28	-50.29
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=CC(Cl)=C2)=NN1	REAL300020200005	0	36	-1.0	-44.88	356.39	2.61	-42.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=CC(Cl)=C2)=NN1	REAL300020200005	1	36	-1.0	-44.87	356.44	2.58	-42.29
O=C(CCC1=CC=CC(Cl)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200006	0	35	-1.0	-44.02	340.96	4.06	-39.96
O=C(CCC1=CC=CC(Cl)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200006	1	35	-1.0	-44.02	341.02	4.03	-39.99
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300020200007	0	36	-1.0	-46.18	349.04	2.78	-43.40
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COC1=CC=C2OCC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CC2=C1	REAL300020200008	0	41	-1.0	-46.05	362.31	1.89	-44.16
COC1=CC=C2OCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CC2=C1	REAL300020200008	1	41	-1.0	-46.02	362.36	1.85	-44.17
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O=C(CNS(=O)(=O)C1=CC=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200009	1	34	-1.0	-50.89	348.91	-2.58	-53.47
CC1=CC(C)=NC2=NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=NN21	REAL300020200010	0	36	-1.0	-56.80	342.07	3.38	-53.42
CC1=CC(C)=NC2=NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=NN21	REAL300020200010	1	36	-1.0	-56.80	342.13	3.35	-53.45
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1=CC=CC=C1	REAL300020200011	0	39	-1.0	-47.63	355.76	3.67	-43.96
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C1=CC=CC=C1	REAL300020200011	1	39	-1.0	-47.59	355.81	3.64	-43.95
O=C(CSC1=CC=C2OCCOC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200012	0	39	-1.0	-48.94	365.85	2.35	-46.59
O=C(CSC1=CC=C2OCCOC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200012	1	39	-1.0	-48.91	365.90	2.32	-46.59
CC1=C(C)C2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C2N1	REAL300020200013	0	39	-1.0	-47.83	350.89	3.28	-44.55
CC1=C(C)C2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C2N1	REAL300020200013	1	39	-1.0	-47.80	350.94	3.25	-44.55
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(N2CCOCC2)=CC=N1	REAL300020200014	0	41	-1.0	-46.96	359.71	-0.82	-47.78
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(N2CCOCC2)=CC=N1	REAL300020200014	1	41	-1.0	-46.89	359.76	-0.85	-47.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC(C2=CC=CS2)=N1	REAL300020200015	0	32	-1.0	-47.47	337.15	1.86	-45.61
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC(C2=CC=CS2)=N1	REAL300020200015	1	32	-1.0	-47.52	337.10	1.89	-45.63
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1COC1=CC=CC=C1	REAL300020200016	0	43	-1.0	-45.86	382.30	5.46	-40.40
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1COC1=CC=CC=C1	REAL300020200016	1	43	-1.0	-45.83	382.35	5.43	-40.40
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)N1C1CC1	REAL300020200017	0	40	-1.0	-47.17	351.99	4.08	-43.09
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)N1C1CC1	REAL300020200017	1	40	-1.0	-47.12	352.04	4.05	-43.07
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(CC2=CC=CC=C2)C(=O)C=C1	REAL300020200018	1	41	-1.0	-45.19	381.30	3.06	-42.13
N#CCOC1=CC=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200019	0	38	-1.0	-50.74	363.38	3.28	-47.46
N#CCOC1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200019	1	38	-1.0	-50.69	363.43	3.25	-47.44
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(CSC2=CC=CC=C2)C=CO1	REAL300020200020	0	40	-1.0	-48.30	380.52	4.97	-43.33
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CCN1C(=O)N(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C21	REAL300020200021	0	42	-1.0	-56.84	384.23	4.42	-52.42
CCN1C(=O)N(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C21	REAL300020200021	1	42	-1.0	-56.76	384.29	4.41	-52.35
CC1=CC(C)=C2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)NC2=C1	REAL300020200022	0	39	-1.0	-45.13	354.12	3.29	-41.84
CC1=CC(C)=C2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)NC2=C1	REAL300020200022	1	39	-1.0	-45.11	354.17	3.26	-41.85
NS(=O)(=O)C1=CC=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200023	0	38	-1.0	-51.29	366.87	-1.79	-53.08
NS(=O)(=O)C1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200023	1	38	-1.0	-51.21	366.92	-1.82	-53.03
CC1=CC=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1Cl	REAL300020200024	0	38	-1.0	-45.25	359.70	4.65	-40.60
CC1=CC=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1Cl	REAL300020200024	1	38	-1.0	-45.19	359.75	4.62	-40.57
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(S(N)(=O)=O)=C1C	REAL300020200025	0	40	-1.0	-51.58	364.81	-1.70	-53.28
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(S(N)(=O)=O)=C1C	REAL300020200025	1	40	-1.0	-51.56	364.87	-1.73	-53.29
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=CC(F)=C1	REAL300020200026	0	29	-1.0	-42.74	291.04	2.20	-40.54
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=CC(F)=C1	REAL300020200026	1	29	-1.0	-42.71	291.09	2.17	-40.54
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200027	0	40	-1.0	-49.21	375.22	-0.90	-50.11
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200027	1	40	-1.0	-49.13	375.27	-0.93	-50.06
CCOC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC	REAL300020200028	0	40	-1.0	-46.46	358.68	2.19	-44.27
CCOC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC	REAL300020200028	1	40	-1.0	-46.43	358.74	2.16	-44.27
CSC1=NC(C2CC2)=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C#N	REAL300020200029	0	40	-1.0	-47.43	382.13	3.72	-43.71
CSC1=NC(C2CC2)=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C#N	REAL300020200029	1	40	-1.0	-47.38	382.18	3.69	-43.69
CC1=CC2=NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CN2C=C1	REAL300020200030	0	35	-1.0	-50.86	329.93	3.18	-47.68
CC1=CC2=NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CN2C=C1	REAL300020200030	1	35	-1.0	-50.83	329.99	3.15	-47.68
CC(=O)C1=CNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200031	0	32	-1.0	-53.62	309.20	0.33	-53.29
CC(=O)C1=CNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200031	1	32	-1.0	-53.59	309.25	0.30	-53.29
CCCOC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200032	0	39	-1.0	-44.44	350.97	3.10	-41.34
CCCOC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200032	1	39	-1.0	-44.39	351.02	3.08	-41.31
CCCOC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OCC	REAL300020200033	0	46	-1.0	-46.07	402.04	3.91	-42.16
CCCOC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OCC	REAL300020200033	1	46	-1.0	-46.06	402.09	3.89	-42.17
CSCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200034	0	36	-1.0	-46.00	344.33	3.95	-42.05
CSCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200034	1	36	-1.0	-45.99	344.38	3.92	-42.07
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2OCCOC2=C1	REAL300020200035	0	35	-1.0	-47.23	322.67	1.24	-45.99
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2OCCOC2=C1	REAL300020200035	1	35	-1.0	-47.20	322.72	1.21	-45.99
O=C(C=CC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200036	0	36	-1.0	-45.58	351.78	4.25	-41.33
O=C(C=CC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200036	1	36	-1.0	-45.52	351.84	4.22	-41.30
O=C(CCCSC1=CC=C(Cl)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200037	0	39	-1.0	-46.14	381.25	5.30	-40.84
O=C(CCCSC1=CC=C(Cl)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200037	1	39	-1.0	-46.12	381.30	5.27	-40.85
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(=O)N(C2=CC=CC=C2F)C1	REAL300020200038	0	40	-1.0	-54.46	370.99	3.47	-50.99
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(=O)N(C2=CC=CC=C2F)C1	REAL300020200038	1	40	-1.0	-54.41	371.04	3.44	-50.97
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)O1	REAL300020200039	0	32	-1.0	-44.54	301.79	1.66	-42.88
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)O1	REAL300020200039	1	32	-1.0	-44.48	301.84	1.63	-42.85
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200040	0	38	-1.0	-57.84	357.62	3.36	-54.48
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200040	1	38	-1.0	-57.78	357.68	3.33	-54.45
N#CC1=CC=C(N2CCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CC2)N=C1	REAL300020200041	0	44	-1.0	-47.10	390.95	2.98	-44.12
N#CC1=CC=C(N2CCC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CC2)N=C1	REAL300020200041	1	44	-1.0	-47.18	390.90	3.01	-44.17
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1N1C=CC=C1	REAL300020200042	0	40	-1.0	-45.96	360.24	5.60	-40.36
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1N1C=CC=C1	REAL300020200042	1	40	-1.0	-45.96	360.29	5.58	-40.38
O=C(CC1=CC=C2OCCC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200043	0	37	-1.0	-47.55	338.73	2.59	-44.96
O=C(CC1=CC=C2OCCC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200043	1	37	-1.0	-47.57	338.78	2.56	-45.01
O=C(CNC(=O)NC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200044	0	38	-1.0	-48.04	351.93	-0.21	-48.25
O=C(CNC(=O)NC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200044	1	38	-1.0	-48.00	351.98	-0.24	-48.24
CC1=NN(C)C(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200045	0	35	-1.0	-48.85	326.51	0.81	-48.04
CC1=NN(C)C(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200045	1	35	-1.0	-48.83	326.56	0.79	-48.04
O=C(C=CC1=CC2=CC=CC=C2O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200046	0	36	-1.0	-47.12	342.95	3.84	-43.28
O=C(C=CC1=CC2=CC=CC=C2O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200046	1	36	-1.0	-47.07	343.00	3.81	-43.26
O=C(C=CC1=CC=C2OCCC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200047	0	38	-1.0	-46.75	348.63	3.12	-43.63
O=C(C=CC1=CC=C2OCCC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200047	1	38	-1.0	-46.73	348.69	3.09	-43.64
CC1OC2=CC=CC=C2N(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1=O	REAL300020200048	0	41	-1.0	-49.39	369.61	2.19	-47.20
CC1OC2=CC=CC=C2N(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1=O	REAL300020200048	1	41	-1.0	-49.36	369.66	2.16	-47.20
CC(NC(=O)C1=CC=CS1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200049	0	36	-1.0	-47.57	348.89	0.40	-47.17
CC(NC(=O)C1=CC=CS1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200049	1	36	-1.0	-47.47	348.94	0.37	-47.10
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200050	0	39	-2.0	-94.62	367.41	-0.19	-94.81
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200050	1	39	-2.0	-94.60	367.46	-0.21	-94.81
O=C(C=CC1=CC=C(N2CCCC2=O)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200051	0	44	-1.0	-53.03	390.38	4.39	-48.64
O=C(C=CC1=CC=C(N2CCCC2=O)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200051	1	44	-1.0	-53.00	390.43	4.36	-48.64
CC1=NN(C)C(Cl)=C1C=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200052	0	36	-1.0	-45.96	354.34	2.06	-43.90
CC1=NN(C)C(Cl)=C1C=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200052	1	36	-1.0	-45.94	354.39	2.03	-43.91
CC1=CC=C(C2=CN=C(CCC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)O2)C=C1	REAL300020200053	0	44	-1.0	-47.40	400.82	2.71	-44.69
CC1=CC=C(C2=CN=C(CCC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)O2)C=C1	REAL300020200053	1	44	-1.0	-47.35	400.87	2.68	-44.67
CC1=NN(C)C2=C1C=C(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)S2	REAL300020200054	0	35	-1.0	-46.07	341.85	1.74	-44.33
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=CC=C2Cl)=NN1	REAL300020200055	0	36	-1.0	-46.95	352.01	2.76	-44.19
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=CC=C2Cl)=NN1	REAL300020200055	1	36	-1.0	-46.93	352.06	2.73	-44.20
CS(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200056	0	34	-1.0	-54.58	330.40	0.67	-53.91
CS(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200056	1	34	-1.0	-54.59	330.46	0.64	-53.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC=C2)C2=C1CCC2	REAL300020200057	0	43	-1.0	-51.09	385.06	4.98	-46.11
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC=C2)C2=C1CCC2	REAL300020200057	1	43	-1.0	-51.07	385.11	4.95	-46.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2CCNC2=O)C=C1	REAL300020200058	0	39	-1.0	-53.83	350.56	0.79	-53.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2CCNC2=O)C=C1	REAL300020200058	1	39	-1.0	-53.85	350.61	0.76	-53.09
CC(C)N1N=CC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CN=C21	REAL300020200059	0	40	-1.0	-47.11	365.33	2.74	-44.37
CC(C)N1N=CC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CN=C21	REAL300020200059	1	40	-1.0	-47.12	365.28	2.77	-44.35
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(COC2=CC=CC=C2)C=CO1	REAL300020200060	0	40	-1.0	-46.30	370.90	3.41	-42.89
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(COC2=CC=CC=C2)C=CO1	REAL300020200060	1	40	-1.0	-46.27	370.95	3.38	-42.89
CC1=NOC2=NC(C(C)C)=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C12	REAL300020200061	0	42	-1.0	-44.32	372.87	0.80	-43.52
CC1=NOC2=NC(C(C)C)=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C12	REAL300020200061	1	42	-1.0	-44.25	372.92	0.77	-43.48
CC1=NOC2=NC(C3CC3)=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C12	REAL300020200062	0	40	-1.0	-44.83	358.55	1.09	-43.74
CC1=NOC2=NC(C3CC3)=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C12	REAL300020200062	1	40	-1.0	-44.77	358.61	1.06	-43.71
COC1=CC=C(C2=NNC=C2C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200063	0	40	-1.0	-49.02	363.55	1.38	-47.64
COC1=CC=C(C2=NNC=C2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200063	1	40	-1.0	-48.97	363.60	1.35	-47.62
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNN=C1C1=CC=C(F)C=C1	REAL300020200064	0	36	-1.0	-47.40	340.50	2.15	-45.25
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNN=C1C1=CC=C(F)C=C1	REAL300020200064	1	36	-1.0	-47.38	340.55	2.12	-45.26
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNN=C1C1=CC=C(Cl)C=C1	REAL300020200065	0	36	-1.0	-47.12	350.82	2.60	-44.52
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNN=C1C1=CC=C(Cl)C=C1	REAL300020200065	1	36	-1.0	-47.08	350.87	2.57	-44.51
CN1C=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200066	0	32	-1.0	-48.41	313.86	2.24	-46.17
CN1C=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200066	1	32	-1.0	-48.39	313.92	2.21	-46.18
CSC1=NC(C)=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)N1	REAL300020200067	0	41	-1.0	-53.01	382.91	1.28	-51.73
CSC1=NC(C)=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)N1	REAL300020200067	1	41	-1.0	-52.95	382.96	1.25	-51.70
CSC1=NC(C)=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)[N-]1	REAL300020200067	1	40	-2.0	-97.87	379.67	0.14	-97.73
CSC1=NC(C)=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)[N-]1	REAL300020200067	1	40	-2.0	-97.79	379.72	0.11	-97.68
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(NC(=O)C2CC2)S1	REAL300020200068	0	37	-1.0	-50.79	357.40	1.66	-49.13
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(NC(=O)C2CC2)S1	REAL300020200068	1	37	-1.0	-50.72	357.45	1.63	-49.09
CC1=CC=C(F)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200069	0	32	-1.0	-44.19	300.70	2.80	-41.39
CC1=CC=C(F)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200069	1	32	-1.0	-44.18	300.75	2.77	-41.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL300020200070	0	40	-1.0	-50.27	356.99	2.99	-47.28
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL300020200070	1	40	-1.0	-50.24	357.04	2.96	-47.28
CCOC(=O)NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200071	0	33	-1.0	-45.86	314.19	-2.22	-48.08
CCOC(=O)NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200071	1	33	-1.0	-45.80	314.24	-2.25	-48.05
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL300020200072	0	35	-1.0	-47.40	352.28	2.24	-45.16
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL300020200072	1	35	-1.0	-47.41	352.23	2.27	-45.14
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC2=CC=CC=C12	REAL300020200073	0	32	-1.0	-46.23	312.59	3.38	-42.85
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC2=CC=CC=C12	REAL300020200073	1	32	-1.0	-46.16	312.64	3.35	-42.81
N#CC1=CC=CC=C1C=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200074	0	34	-1.0	-50.77	331.58	3.48	-47.29
N#CC1=CC=CC=C1C=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200074	1	34	-1.0	-50.77	331.63	3.45	-47.32
CNS(=O)(=O)C1=CC=C(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200075	0	40	-1.0	-48.36	370.86	-1.10	-49.46
CNS(=O)(=O)C1=CC=C(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200075	1	40	-1.0	-48.37	370.91	-1.13	-49.50
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200076	0	37	-1.0	-45.35	342.17	3.19	-42.16
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200076	1	37	-1.0	-45.34	342.22	3.16	-42.18
COC1=CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N=C2C=C1	REAL300020200077	0	38	-1.0	-46.98	351.07	1.78	-45.20
COC1=CC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N=C2C=C1	REAL300020200077	1	38	-1.0	-46.97	351.02	1.80	-45.17
CC1=NN(C)C(Cl)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200078	0	32	-1.0	-46.08	322.68	0.69	-45.39
CC1=NN(C)C(Cl)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200078	1	32	-1.0	-46.04	322.73	0.66	-45.38
CC1=CC=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1	REAL300020200079	0	41	-1.0	-44.60	360.98	4.68	-39.92
CC1=CC=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1	REAL300020200079	1	41	-1.0	-44.55	361.03	4.66	-39.89
COC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC([N+](=O)[O-])=C1	REAL300020200080	0	35	-1.0	-46.23	335.87	2.03	-44.20
COC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC([N+](=O)[O-])=C1	REAL300020200080	1	35	-1.0	-46.20	335.92	2.00	-44.20
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C2C=NN(C(C)C)C2=N1	REAL300020200081	0	43	-1.0	-46.58	384.48	3.32	-43.26
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C2C=NN(C(C)C)C2=N1	REAL300020200081	1	43	-1.0	-46.54	384.53	3.29	-43.25
CCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020200082	0	32	-1.0	-44.94	305.84	1.67	-43.27
CCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020200082	1	32	-1.0	-44.90	305.89	1.65	-43.25
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNN=C1C1=CC=CC=C1	REAL300020200083	0	36	-1.0	-48.63	334.10	2.08	-46.55
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNN=C1C1=CC=CC=C1	REAL300020200083	1	36	-1.0	-48.59	334.15	2.05	-46.54
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200084	0	41	-1.0	-48.17	386.94	2.11	-46.06
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200084	1	41	-1.0	-48.11	386.99	2.08	-46.03
CC1=CC=CC(OCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C	REAL300020200085	0	42	-1.0	-45.63	369.78	3.67	-41.96
CC1=CC=CC(OCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C	REAL300020200085	1	42	-1.0	-45.59	369.83	3.64	-41.95
CS(=O)(=O)N1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020200086	0	40	-1.0	-49.63	358.83	-1.25	-50.88
CS(=O)(=O)N1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020200086	1	40	-1.0	-49.57	358.89	-1.28	-50.85
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=NC=CC=C12	REAL300020200087	0	34	-1.0	-46.26	314.06	2.38	-43.88
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=NC=CC=C12	REAL300020200087	1	34	-1.0	-46.30	314.01	2.41	-43.89
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)O1	REAL300020200088	0	26	-1.0	-43.31	279.49	0.68	-42.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)O1	REAL300020200088	1	26	-1.0	-43.23	279.54	0.65	-42.58
CC1=C(C=C(C#N)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C(C#N)N1C	REAL300020200089	0	39	-1.0	-53.94	373.71	3.70	-50.24
CC1=C(C=C(C#N)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C(C#N)N1C	REAL300020200089	1	39	-1.0	-53.90	373.77	3.67	-50.23
O=C(C=CC1=CC=CC2=CC=CN=C12)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200090	0	38	-1.0	-51.54	353.56	3.80	-47.74
O=C(C=CC1=CC=CC2=CC=CN=C12)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200090	1	38	-1.0	-51.59	353.61	3.77	-47.82
CC(=O)NC1=CC=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200091	0	40	-1.0	-51.14	368.45	2.18	-48.96
CC(=O)NC1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200091	1	40	-1.0	-51.11	368.50	2.15	-48.96
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=C(Cl)N1	REAL300020200092	0	27	-1.0	-42.54	299.16	0.76	-41.78
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=C(Cl)N1	REAL300020200092	1	27	-1.0	-42.48	299.21	0.73	-41.75
CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1=CC=C(F)C=C1	REAL300020200093	0	42	-1.0	-46.12	382.56	4.40	-41.72
CCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C1=CC=C(F)C=C1	REAL300020200093	1	42	-1.0	-46.13	382.61	4.37	-41.76
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(=O)NC2=CC(F)=CC=C21	REAL300020200094	0	37	-1.0	-54.15	344.92	1.16	-52.99
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(=O)NC2=CC(F)=CC=C21	REAL300020200094	1	37	-1.0	-54.16	344.97	1.13	-53.03
O=C(CCNC(=O)CC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200095	0	42	-1.0	-53.80	383.93	1.87	-51.93
O=C(CCNC(=O)CC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200095	1	42	-1.0	-53.74	383.98	1.84	-51.90
CCOC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200096	0	36	-1.0	-48.31	327.39	3.54	-44.77
CCOC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200096	1	36	-1.0	-48.27	327.45	3.51	-44.76
CCOC1=NC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200097	0	35	-1.0	-48.48	325.14	0.92	-47.56
CCOC1=NC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200097	1	35	-1.0	-48.53	325.09	0.95	-47.58
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C(F)(F)F)NC1=O	REAL300020200098	0	32	-1.0	-50.37	319.51	0.18	-50.19
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C(F)(F)F)NC1=O	REAL300020200098	1	32	-1.0	-50.32	319.56	0.15	-50.17
O=C(CCC1CC2=CC=CC=C2NC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200099	0	43	-1.0	-47.35	379.90	2.44	-44.91
O=C(CCC1CC2=CC=CC=C2NC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200099	1	43	-1.0	-47.37	379.96	2.41	-44.96
CC(C)(OC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200100	0	39	-1.0	-45.65	344.73	3.58	-42.07
CC(C)(OC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200100	1	39	-1.0	-45.65	344.78	3.56	-42.09
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC=C2)C(=O)C=C1	REAL300020200101	0	38	-1.0	-46.70	358.23	2.61	-44.09
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC=C2)C(=O)C=C1	REAL300020200101	1	38	-1.0	-46.70	358.28	2.58	-44.12
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN=C1OCC(F)(F)F	REAL300020200102	0	35	-1.0	-49.36	344.71	1.39	-47.97
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN=C1OCC(F)(F)F	REAL300020200102	1	35	-1.0	-49.40	344.66	1.41	-47.99
CC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1[N+](=O)[O-]	REAL300020200103	0	34	-1.0	-53.71	325.13	4.60	-49.11
CC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1[N+](=O)[O-]	REAL300020200103	1	34	-1.0	-53.64	325.19	4.57	-49.07
COC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1OC(F)F	REAL300020200104	0	37	-1.0	-50.00	344.69	2.66	-47.34
COC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1OC(F)F	REAL300020200104	1	37	-1.0	-49.92	344.73	2.64	-47.28
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1OC(F)F	REAL300020200105	0	33	-1.0	-47.75	315.29	2.89	-44.86
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1OC(F)F	REAL300020200105	1	33	-1.0	-47.73	315.35	2.86	-44.87
CS(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200106	0	35	-1.0	-52.52	326.04	0.65	-51.87
CS(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200106	1	35	-1.0	-52.45	326.10	0.62	-51.83
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1SC(F)F	REAL300020200107	0	33	-1.0	-46.05	323.54	3.30	-42.75
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1SC(F)F	REAL300020200107	1	33	-1.0	-46.00	323.59	3.27	-42.73
CC1=C(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(N2C=CC=C2)S1	REAL300020200108	0	40	-1.0	-48.83	371.46	5.14	-43.69
CC1=C(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(N2C=CC=C2)S1	REAL300020200108	1	40	-1.0	-48.76	371.51	5.11	-43.65
CCSC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200109	0	36	-1.0	-46.54	335.40	3.90	-42.64
CCSC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200109	1	36	-1.0	-46.59	335.45	3.88	-42.71
CC1=NC(COC2=CC=CC=C2C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NO1	REAL300020200110	0	41	-1.0	-55.11	378.88	2.11	-53.00
CC1=NC(COC2=CC=CC=C2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NO1	REAL300020200110	1	41	-1.0	-55.04	378.94	2.08	-52.96
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(N2C=CC=C2)C=CS1	REAL300020200111	0	34	-1.0	-46.55	329.87	4.02	-42.53
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(N2C=CC=C2)C=CS1	REAL300020200111	1	34	-1.0	-46.57	329.92	3.99	-42.58
COC1=CC=C(F)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200112	0	33	-1.0	-47.57	311.94	2.69	-44.88
COC1=CC=C(F)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200112	1	33	-1.0	-47.51	311.99	2.66	-44.85
CC1=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C2N1	REAL300020200113	0	39	-1.0	-49.75	354.19	3.29	-46.46
CC1=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C2N1	REAL300020200113	1	39	-1.0	-49.73	354.24	3.26	-46.47
COC1=CC=C(N2N=NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2C)C=C1	REAL300020200114	0	42	-1.0	-48.44	381.57	1.53	-46.91
COC1=CC=C(N2N=NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2C)C=C1	REAL300020200114	1	42	-1.0	-48.43	381.62	1.50	-46.93
CC1=CC=C(C2=NNC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)C=C1	REAL300020200115	0	39	-1.0	-45.63	361.06	2.78	-42.85
CC1=CC=C(C2=NNC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)C=C1	REAL300020200115	1	39	-1.0	-45.62	361.11	2.75	-42.87
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=C(Cl)C=C2)=NN1	REAL300020200116	0	36	-1.0	-44.60	356.38	2.62	-41.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=C(Cl)C=C2)=NN1	REAL300020200116	1	36	-1.0	-44.48	356.43	2.59	-41.89
NC(=O)NC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200117	0	35	-1.0	-51.15	327.10	-1.84	-52.99
NC(=O)NC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200117	1	35	-1.0	-51.09	327.15	-1.87	-52.96
CCOC(=O)NCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200118	0	36	-1.0	-50.12	336.32	-1.60	-51.72
CCOC(=O)NCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200118	1	36	-1.0	-50.10	336.37	-1.62	-51.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300020200119	0	35	-1.0	-45.02	353.63	3.57	-41.45
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300020200119	1	35	-1.0	-45.02	353.58	3.59	-41.43
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC(C2=CC=CC=C2F)=C1	REAL300020200120	0	35	-1.0	-48.42	344.98	3.19	-45.23
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC(C2=CC=CC=C2F)=C1	REAL300020200120	1	35	-1.0	-48.43	344.93	3.22	-45.21
CCOC(=O)NC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)C	REAL300020200121	0	42	-1.0	-43.31	366.35	0.06	-43.25
CCOC(=O)NC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)C	REAL300020200121	1	42	-1.0	-43.26	366.40	0.03	-43.23
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(=O)NC2=CC=CC=C21	REAL300020200122	0	37	-1.0	-47.98	338.48	1.09	-46.89
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(=O)NC2=CC=CC=C21	REAL300020200122	1	37	-1.0	-47.99	338.53	1.06	-46.93
CC1=NN(C)C2=NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C12	REAL300020200123	0	37	-1.0	-47.31	344.65	1.81	-45.50
CC1=NN(C)C2=NC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C12	REAL300020200123	1	37	-1.0	-47.25	344.70	1.78	-45.47
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200124	0	39	-1.0	-48.15	363.30	2.59	-45.56
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200124	1	39	-1.0	-48.12	363.35	2.56	-45.56
CC1=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C(C2=CC=CC=C2)O1	REAL300020200125	0	41	-1.0	-53.18	379.24	1.85	-51.33
CC1=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C(C2=CC=CC=C2)O1	REAL300020200125	1	41	-1.0	-53.20	379.19	1.87	-51.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(CC2=CC=CC=C2)N=N1	REAL300020200126	0	38	-1.0	-49.95	360.80	2.20	-47.75
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(CC2=CC=CC=C2)N=N1	REAL300020200126	1	38	-1.0	-49.98	360.75	2.23	-47.75
COC1=CC=CC=C1C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NO1	REAL300020200127	0	39	-1.0	-48.29	367.79	2.49	-45.80
COC1=CC=CC=C1C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NO1	REAL300020200127	1	39	-1.0	-48.37	367.74	2.52	-45.85
CC(C)C1=CC=CC(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200128	0	42	-1.0	-47.51	371.96	4.54	-42.97
CC(C)C1=CC=CC(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200128	1	42	-1.0	-47.48	372.02	4.51	-42.97
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)NC1=CC=CC=C1	REAL300020200129	0	33	-1.0	-45.46	315.66	0.32	-45.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)NC1=CC=CC=C1	REAL300020200129	1	33	-1.0	-45.41	315.71	0.29	-45.12
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C12	REAL300020200130	0	44	-1.0	-47.91	389.37	3.61	-44.30
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C12	REAL300020200130	1	44	-1.0	-47.85	389.43	3.58	-44.27
CC1=NN(C)C2=NC(C)=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C12	REAL300020200131	0	40	-1.0	-46.32	356.43	2.37	-43.95
CC1=NN(C)C2=NC(C)=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C12	REAL300020200131	1	40	-1.0	-46.25	356.48	2.34	-43.91
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN=C1SC(F)F	REAL300020200132	0	32	-1.0	-47.70	322.23	2.08	-45.62
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN=C1SC(F)F	REAL300020200132	1	32	-1.0	-47.76	322.18	2.11	-45.65
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1C(F)(F)F	REAL300020200133	0	32	-1.0	-47.64	308.37	3.10	-44.54
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1C(F)(F)F	REAL300020200133	1	32	-1.0	-47.55	308.43	3.07	-44.48
NC(=O)NC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020200134	0	41	-1.0	-48.84	364.86	-0.86	-49.70
NC(=O)NC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020200134	1	41	-1.0	-48.83	364.91	-0.89	-49.72
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2CCC1C2	REAL300020200135	0	36	-1.0	-43.38	308.65	2.61	-40.77
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2CCC1C2	REAL300020200135	1	36	-1.0	-43.34	308.70	2.58	-40.76
CN1C(=O)N(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C21	REAL300020200136	0	42	-1.0	-53.33	383.45	3.92	-49.41
CN1C(=O)N(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C21	REAL300020200136	1	42	-1.0	-53.32	383.50	3.89	-49.43
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(OC(F)F)C=CC=C2N1	REAL300020200137	0	37	-1.0	-47.79	351.32	1.57	-46.22
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(OC(F)F)C=CC=C2N1	REAL300020200137	1	37	-1.0	-47.72	351.37	1.54	-46.18
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200138	0	41	-1.0	-47.45	379.43	2.03	-45.42
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200138	1	41	-1.0	-47.42	379.48	2.00	-45.42
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=C(F)C=C2)=NN1	REAL300020200139	0	36	-1.0	-44.92	346.06	2.17	-42.75
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=C(F)C=C2)=NN1	REAL300020200139	1	36	-1.0	-44.88	346.11	2.14	-42.74
CC1=NOC2=NC(C)=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C12	REAL300020200140	0	36	-1.0	-46.24	330.48	-0.34	-46.58
CC1=NOC2=NC(C)=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C12	REAL300020200140	1	36	-1.0	-46.18	330.53	-0.37	-46.55
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(CN2C=CC=N2)C=C1	REAL300020200141	0	39	-1.0	-48.90	362.04	3.70	-45.20
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CN2C=CC=N2)C=C1	REAL300020200141	1	39	-1.0	-48.96	361.98	3.73	-45.23
CC(C)(C)C(=O)NCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200142	0	44	-1.0	-48.71	383.86	0.93	-47.78
CC(C)(C)C(=O)NCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200142	1	44	-1.0	-48.68	383.91	0.90	-47.78
NC(=O)NC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CS1	REAL300020200143	0	38	-1.0	-52.24	365.87	-1.41	-53.65
NC(=O)NC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CS1	REAL300020200143	1	38	-1.0	-52.20	365.92	-1.44	-53.64
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020200144	0	31	-1.0	-49.92	319.05	-4.94	-54.86
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020200144	1	31	-1.0	-49.90	319.10	-4.96	-54.86
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(C2=CC=CC(F)=C2)=NO1	REAL300020200145	0	37	-1.0	-48.96	352.68	3.47	-45.49
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(C2=CC=CC(F)=C2)=NO1	REAL300020200145	1	37	-1.0	-48.89	352.73	3.44	-45.45
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(CN2C=NC=N2)C=C1	REAL300020200146	0	38	-1.0	-52.28	356.79	5.12	-47.16
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CN2C=NC=N2)C=C1	REAL300020200146	1	38	-1.0	-52.31	356.74	5.15	-47.16
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2CCOCC2)N=C1	REAL300020200147	0	41	-1.0	-46.35	359.90	0.23	-46.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2CCOCC2)N=C1	REAL300020200147	1	41	-1.0	-46.40	359.85	0.26	-46.14
CC1=CC=CC(N2CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CC2=O)=C1C	REAL300020200148	0	46	-1.0	-51.14	402.25	4.83	-46.31
CC1=CC=CC(N2CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CC2=O)=C1C	REAL300020200148	1	46	-1.0	-51.06	402.30	4.80	-46.26
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C(=O)OC2=CC=CC=C21	REAL300020200149	0	38	-1.0	-58.10	349.64	3.47	-54.63
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C(=O)OC2=CC=CC=C21	REAL300020200149	1	38	-1.0	-58.04	349.69	3.44	-54.60
CC1=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)NC(=O)N1	REAL300020200150	0	38	-1.0	-55.97	349.61	-1.80	-57.77
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O=C(CCC1=NN=C(C2=CSC=C2)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200202	1	37	-1.0	-47.75	365.95	-1.62	-49.37
CN(C1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)S(C)(=O)=O	REAL300020200203	0	40	-1.0	-59.39	369.79	1.17	-58.22
CN(C1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)S(C)(=O)=O	REAL300020200203	1	40	-1.0	-59.40	369.85	1.13	-58.27
CC(C)N1C=NN=C1SCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200204	0	38	-1.0	-49.77	361.59	3.75	-46.02
CC(C)N1C=NN=C1SCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200204	1	38	-1.0	-49.81	361.54	3.78	-46.03
O=C(CSC1=NN=NN1C1CCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200205	0	41	-1.0	-47.45	381.53	2.21	-45.24
O=C(CSC1=NN=NN1C1CCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200205	1	41	-1.0	-47.47	381.48	2.24	-45.23
O=C(CSC1=NN=NN1C1CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200206	0	35	-1.0	-48.26	348.01	0.96	-47.30
O=C(CSC1=NN=NN1C1CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200206	1	35	-1.0	-48.32	347.96	0.99	-47.33
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020200207	0	34	-1.0	-46.11	328.98	0.88	-45.23
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020200207	1	34	-1.0	-46.13	328.93	0.91	-45.22
CC1=C(C)SC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200208	0	32	-1.0	-44.43	311.84	2.47	-41.96
CC1=C(C)SC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200208	1	32	-1.0	-44.41	311.89	2.44	-41.97
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200209	0	43	-1.0	-51.05	374.79	3.98	-47.07
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200209	1	43	-1.0	-51.02	374.84	3.95	-47.07
CCC1=NC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2N=C1CC	REAL300020200210	0	45	-1.0	-48.51	393.79	2.99	-45.52
CCC1=NC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2N=C1CC	REAL300020200210	1	45	-1.0	-48.44	393.84	2.96	-45.48
CSC1=CC=C(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200211	0	36	-1.0	-45.58	334.45	3.76	-41.82
CSC1=CC=C(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200211	1	36	-1.0	-45.57	334.51	3.73	-41.84
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(C2=CC=CC=C2)C=CO1	REAL300020200212	0	36	-1.0	-47.03	338.26	3.73	-43.30
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(C2=CC=CC=C2)C=CO1	REAL300020200212	1	36	-1.0	-46.98	338.31	3.70	-43.28
CC1=C2C(=CC=C1)SC(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)=C2Cl	REAL300020200213	0	35	-1.0	-45.85	344.54	4.41	-41.44
CC1=C2C(=CC=C1)SC(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)=C2Cl	REAL300020200213	1	35	-1.0	-45.85	344.59	4.38	-41.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1C2CC3CC(C2)CC1C3	REAL300020200214	0	43	-1.0	-43.80	338.44	3.88	-39.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1C2CC3CC(C2)CC1C3	REAL300020200214	1	43	-1.0	-43.76	338.49	3.85	-39.91
CC1=CC=C(C)N1C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CS1	REAL300020200215	0	40	-1.0	-47.06	367.62	5.03	-42.03
CC1=CC=C(C)N1C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CS1	REAL300020200215	1	40	-1.0	-47.02	367.67	5.00	-42.02
CC1=CC=CC=C1OCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200216	0	42	-1.0	-47.43	374.28	3.89	-43.54
CC1=CC=CC=C1OCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200216	1	42	-1.0	-47.39	374.33	3.86	-43.53
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN=C1N1C=CC=N1	REAL300020200217	0	35	-1.0	-49.97	331.46	2.82	-47.15
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN=C1N1C=CC=N1	REAL300020200217	1	35	-1.0	-50.01	331.41	2.85	-47.16
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=CNN=C21	REAL300020200218	0	32	-1.0	-56.37	304.88	0.85	-55.52
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=CNN=C21	REAL300020200218	1	32	-1.0	-56.34	304.93	0.82	-55.52
CC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NN1C1=NN=CN1	REAL300020200219	0	34	-1.0	-50.43	330.89	3.79	-46.64
CC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1C1=NN=CN1	REAL300020200219	1	34	-1.0	-50.35	330.94	3.77	-46.58
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2C=NC=N2)N=C1	REAL300020200220	0	34	-1.0	-46.60	328.66	3.89	-42.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2C=NC=N2)N=C1	REAL300020200220	1	34	-1.0	-46.64	328.60	3.91	-42.73
CC1=NOC2=NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C12	REAL300020200221	0	33	-1.0	-46.67	316.64	-0.50	-47.17
CC1=NOC2=NC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C12	REAL300020200221	1	33	-1.0	-46.63	316.70	-0.53	-47.16
O=C(CCCOC1=CC=C(F)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200222	0	39	-1.0	-47.18	360.61	3.21	-43.97
O=C(CCCOC1=CC=C(F)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200222	1	39	-1.0	-47.13	360.67	3.18	-43.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1CCC1=CC=CC=C1	REAL300020200223	0	45	-1.0	-45.21	393.40	7.26	-37.95
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1CCC1=CC=CC=C1	REAL300020200223	1	45	-1.0	-45.18	393.45	7.23	-37.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300020200224	0	36	-1.0	-43.76	345.93	4.29	-39.47
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300020200224	1	36	-1.0	-43.75	345.99	4.26	-39.49
CC1=CC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C(C)N=C2C=C1	REAL300020200225	0	40	-1.0	-46.14	357.34	3.70	-42.44
CC1=CC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C(C)N=C2C=C1	REAL300020200225	1	40	-1.0	-46.05	357.39	3.67	-42.38
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN=C1SC1=CC=CC=C1	REAL300020200226	0	39	-1.0	-47.98	371.55	4.58	-43.40
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN=C1SC1=CC=CC=C1	REAL300020200226	1	39	-1.0	-47.95	371.50	4.61	-43.34
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020200227	0	38	-1.0	-45.16	333.47	3.65	-41.51
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020200227	1	38	-1.0	-45.12	333.52	3.63	-41.49
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2CCCC(C1)C2=O	REAL300020200228	0	41	-1.0	-48.53	340.79	2.82	-45.71
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2CCCC(C1)C2=O	REAL300020200228	1	41	-1.0	-48.45	340.85	2.80	-45.65
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC2=NC=NN21	REAL300020200229	0	30	-1.0	-51.38	293.25	3.33	-48.05
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC2=NC=NN21	REAL300020200229	1	30	-1.0	-51.45	293.20	3.36	-48.09
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200230	0	41	-1.0	-51.72	373.61	3.33	-48.39
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200230	1	41	-1.0	-51.73	373.67	3.30	-48.43
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1N1C=NN=N1	REAL300020200231	0	34	-1.0	-55.40	324.45	2.23	-53.17
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1N1C=NN=N1	REAL300020200231	1	34	-1.0	-55.44	324.40	2.26	-53.18
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(CC1=CC=CC=C1)N1C=NN=N1	REAL300020200232	0	40	-1.0	-46.64	371.36	3.35	-43.29
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(CC1=CC=CC=C1)N1C=NN=N1	REAL300020200232	1	40	-1.0	-46.60	371.30	3.38	-43.22
CN1C(=O)C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2C1=O	REAL300020200233	0	36	-1.0	-47.39	343.87	1.34	-46.05
CN1C(=O)C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2C1=O	REAL300020200233	1	36	-1.0	-47.40	343.92	1.31	-46.09
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020200234	0	43	-1.0	-48.18	366.74	4.62	-43.56
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020200234	1	43	-1.0	-48.16	366.79	4.59	-43.57
CCOC1=CC=C(OC(C)(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200235	0	46	-1.0	-46.18	389.66	3.72	-42.46
CCOC1=CC=C(OC(C)(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200235	1	46	-1.0	-46.13	389.71	3.69	-42.44
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2C=CC=N2)N=C1	REAL300020200236	0	35	-1.0	-46.92	333.85	2.53	-44.39
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2C=CC=N2)N=C1	REAL300020200236	1	35	-1.0	-47.01	333.80	2.56	-44.45
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020200237	0	32	-1.0	-44.88	327.37	1.86	-43.02
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020200237	1	32	-1.0	-44.85	327.42	1.83	-43.02
CN1N=CC2=C1N=CN(CCC(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)C2=O	REAL300020200238	0	40	-1.0	-56.98	372.81	2.40	-54.58
CN1N=CC2=C1N=CN(CCC(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)C2=O	REAL300020200238	1	40	-1.0	-57.05	372.75	2.42	-54.63
CC1=NN2C(=C1)N=CC(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)=C2C	REAL300020200239	0	37	-1.0	-46.48	338.43	2.18	-44.30
CC1=NN2C(=C1)N=CC(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)=C2C	REAL300020200239	1	37	-1.0	-46.45	338.48	2.16	-44.29
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C	REAL300020200240	0	32	-1.0	-47.26	298.79	0.30	-46.96
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C	REAL300020200240	1	32	-1.0	-47.20	298.84	0.27	-46.93
CN1C(=O)C2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CN=C2N(C)C1=O	REAL300020200241	0	40	-1.0	-47.04	366.13	1.72	-45.32
CN1C(=O)C2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CN=C2N(C)C1=O	REAL300020200241	1	40	-1.0	-46.95	366.18	1.70	-45.25
O=C(CCCNC(=O)NC1CCCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200242	0	50	-1.0	-50.02	423.73	1.08	-48.94
O=C(CCCNC(=O)NC1CCCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200242	1	50	-1.0	-49.97	423.78	1.06	-48.91
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300020200243	0	35	-1.0	-50.80	334.71	-0.92	-51.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300020200243	1	35	-1.0	-50.77	334.77	-0.95	-51.72
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=C(F)C(F)=C1F	REAL300020200244	0	29	-1.0	-43.80	301.60	2.32	-41.48
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=C(F)C(F)=C1F	REAL300020200244	1	29	-1.0	-43.77	301.66	2.29	-41.48
CC1CCC2=C(C1)SC=C2C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200245	0	39	-1.0	-44.43	349.97	4.23	-40.20
CC1CCC2=C(C1)SC=C2C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200245	1	39	-1.0	-44.38	350.03	4.20	-40.18
CCCCC1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020200246	0	47	-1.0	-44.06	379.54	4.97	-39.09
CCCCC1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020200246	1	47	-1.0	-44.00	379.59	4.94	-39.06
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC1(Cl)Cl	REAL300020200247	0	26	-1.0	-45.29	286.35	1.55	-43.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC1(Cl)Cl	REAL300020200247	1	26	-1.0	-45.23	286.40	1.52	-43.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CN2C=CC=CC2=O)O1	REAL300020200248	0	39	-1.0	-62.93	369.55	3.01	-59.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(CN2C=CC=CC2=O)O1	REAL300020200248	1	39	-1.0	-62.91	369.60	2.98	-59.93
CC(NC(=O)C(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200249	0	41	-1.0	-44.75	359.79	0.33	-44.42
CC(NC(=O)C(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200249	1	41	-1.0	-44.66	359.84	0.30	-44.36
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C12CCC(=O)N1CCS2	REAL300020200250	0	35	-1.0	-47.92	330.40	0.67	-47.25
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C12CCC(=O)N1CCS2	REAL300020200250	1	35	-1.0	-47.87	330.45	0.64	-47.23
CC1=NC(C)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020200251	0	31	-1.0	-44.30	304.33	0.54	-43.76
CC1=NC(C)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020200251	1	31	-1.0	-44.26	304.38	0.51	-43.75
CC1=NN(C)C(C)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200252	0	38	-1.0	-49.26	343.70	1.48	-47.78
CC1=NN(C)C(C)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200252	1	38	-1.0	-49.23	343.75	1.46	-47.77
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200253	0	41	-1.0	-54.14	370.89	4.59	-49.55
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200253	1	41	-1.0	-54.14	370.94	4.56	-49.58
O=C(CCN1C=NC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200254	0	31	-1.0	-48.24	300.04	2.13	-46.11
O=C(CCN1C=NC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200254	1	31	-1.0	-48.32	299.99	2.16	-46.16
O=C(CC1=CC=CC2=CC=CN=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200255	0	37	-1.0	-51.32	342.91	3.24	-48.08
O=C(CC1=CC=CC2=CC=CN=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200255	1	37	-1.0	-51.32	342.85	3.27	-48.05
O=C(COC1=CC=C2NC(=O)CCC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200256	0	41	-1.0	-50.92	371.55	1.81	-49.11
O=C(COC1=CC=C2NC(=O)CCC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200256	1	41	-1.0	-50.90	371.60	1.78	-49.12
CC1OC2=CC=CC=C2OC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200257	0	38	-1.0	-43.83	341.49	2.14	-41.69
CC1OC2=CC=CC=C2OC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200257	1	38	-1.0	-43.82	341.54	2.11	-41.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL300020200258	0	34	-1.0	-51.74	330.95	2.07	-49.67
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL300020200258	1	34	-1.0	-51.69	331.00	2.05	-49.64
CC(C)C1=CC=C2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)NC2=C1	REAL300020200259	0	42	-1.0	-44.64	372.01	3.91	-40.73
CC(C)C1=CC=C2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)NC2=C1	REAL300020200259	1	42	-1.0	-44.60	372.06	3.89	-40.71
O=C(CNC(=O)C1CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200260	0	33	-1.0	-46.38	312.31	-0.97	-47.35
O=C(CNC(=O)C1CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200260	1	33	-1.0	-46.28	312.36	-1.00	-47.28
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC2=CC=CC=C21	REAL300020200261	0	39	-1.0	-44.47	339.97	4.53	-39.94
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC2=CC=CC=C21	REAL300020200261	1	39	-1.0	-44.47	340.03	4.50	-39.97
COC1=NC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200262	0	32	-1.0	-48.34	303.29	0.01	-48.33
COC1=NC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200262	1	32	-1.0	-48.41	303.23	0.04	-48.37
CC(OC1=CC=CC(F)=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200263	0	36	-1.0	-47.86	335.60	3.29	-44.57
CC(OC1=CC=CC(F)=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200263	1	36	-1.0	-47.80	335.65	3.25	-44.55
CC1=NC(C(F)(F)F)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200264	0	34	-1.0	-43.62	329.99	2.04	-41.58
CC1=NC(C(F)(F)F)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200264	1	34	-1.0	-43.55	330.04	2.01	-41.54
CCCCSCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200265	0	35	-1.0	-45.37	330.35	2.66	-42.71
CCCCSCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200265	1	35	-1.0	-45.36	330.40	2.63	-42.73
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200266	0	37	-1.0	-44.84	352.46	3.63	-41.21
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200266	1	37	-1.0	-44.81	352.51	3.60	-41.21
CCCCCCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200267	0	43	-1.0	-43.77	371.81	4.43	-39.34
CCCCCCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200267	1	43	-1.0	-43.72	371.87	4.41	-39.31
CCCCCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200268	0	40	-1.0	-43.78	350.32	3.65	-40.13
CCCCCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200268	1	40	-1.0	-43.75	350.37	3.62	-40.13
CCCCCCCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200269	0	46	-1.0	-43.79	393.31	5.22	-38.57
CCCCCCCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200269	1	46	-1.0	-43.73	393.37	5.19	-38.54
CN(C)C1=CC=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200270	0	41	-1.0	-46.19	363.59	3.65	-42.54
CN(C)C1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200270	1	41	-1.0	-46.17	363.64	3.62	-42.55
CC1=CC=C2C(=O)N(C(C)C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C(=O)C2=C1	REAL300020200271	0	42	-1.0	-52.25	382.95	3.83	-48.42
CC1=CC=C2C(=O)N(C(C)C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C(=O)C2=C1	REAL300020200271	1	42	-1.0	-52.26	383.00	3.81	-48.45
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN1CC1=CC=CC=C1	REAL300020200272	0	40	-1.0	-44.94	361.16	5.15	-39.79
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN1CC1=CC=CC=C1	REAL300020200272	1	40	-1.0	-44.85	361.21	5.12	-39.73
NC(=O)C1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NN1C1=CC=CC=C1	REAL300020200273	0	42	-1.0	-54.63	384.11	-0.73	-55.36
NC(=O)C1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1C1=CC=CC=C1	REAL300020200273	1	42	-1.0	-54.66	384.16	-0.76	-55.42
O=C(CCN1C=CC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200274	0	32	-1.0	-46.96	305.28	0.70	-46.26
O=C(CCN1C=CC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200274	1	32	-1.0	-46.97	305.23	0.72	-46.25
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1NS(C)(=O)=O	REAL300020200275	0	40	-1.0	-53.22	369.27	-0.46	-53.68
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1NS(C)(=O)=O	REAL300020200275	1	40	-1.0	-53.17	369.32	-0.49	-53.66
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1=CC(C)=CC=C1	REAL300020200276	0	42	-1.0	-48.08	375.52	4.29	-43.79
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C1=CC(C)=CC=C1	REAL300020200276	1	42	-1.0	-48.00	375.57	4.26	-43.74
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=CC=C2)CCCC1	REAL300020200277	0	42	-1.0	-43.87	357.43	5.37	-38.50
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=CC=C2)CCCC1	REAL300020200277	1	42	-1.0	-43.80	357.48	5.34	-38.46
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C1=CC=CC=N1	REAL300020200278	0	38	-1.0	-49.20	351.16	3.32	-45.88
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1=CC=CC=N1	REAL300020200278	1	38	-1.0	-49.23	351.11	3.35	-45.88
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2=CC=CC=C2)N=N1	REAL300020200279	0	35	-1.0	-48.82	335.56	1.72	-47.10
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2=CC=CC=C2)N=N1	REAL300020200279	1	35	-1.0	-48.80	335.50	1.75	-47.05
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C12CCC(=O)N1C1=CC=CC=C1S2	REAL300020200280	0	39	-1.0	-53.57	367.99	3.36	-50.21
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C12CCC(=O)N1C1=CC=CC=C1S2	REAL300020200280	1	39	-1.0	-53.55	368.04	3.33	-50.22
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)C=CC=C1Cl	REAL300020200281	0	29	-1.0	-48.14	303.99	2.40	-45.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C=CC=C1Cl	REAL300020200281	1	29	-1.0	-48.08	304.04	2.37	-45.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)C=CC=C1F	REAL300020200282	0	29	-1.0	-48.95	294.50	2.02	-46.93
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C=CC=C1F	REAL300020200282	1	29	-1.0	-48.94	294.55	1.99	-46.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=CC(F)=C2)CCCC1	REAL300020200283	0	42	-1.0	-44.92	364.09	5.41	-39.51
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=CC(F)=C2)CCCC1	REAL300020200283	1	42	-1.0	-44.89	364.14	5.38	-39.51
CC(C)(C)OC(=O)N1CCCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200284	0	46	-1.0	-54.63	392.12	2.41	-52.22
CC(C)(C)OC(=O)N1CCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200284	1	46	-1.0	-54.59	392.17	2.38	-52.21
CCS(=O)(=O)NC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200285	0	40	-1.0	-55.68	376.93	-0.44	-56.12
CCS(=O)(=O)NC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200285	1	40	-1.0	-55.67	376.98	-0.47	-56.14
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1=CC=C(C)C=C1	REAL300020200286	0	42	-1.0	-47.29	377.19	4.35	-42.94
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C1=CC=C(C)C=C1	REAL300020200286	1	42	-1.0	-47.22	377.24	4.32	-42.90
O=C(CSCC(=O)N1CCCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200287	0	43	-1.0	-54.11	384.49	2.69	-51.42
O=C(CSCC(=O)N1CCCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200287	1	43	-1.0	-54.09	384.55	2.66	-51.43
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1SC(F)(F)F	REAL300020200288	0	33	-1.0	-44.62	330.12	3.50	-41.12
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1SC(F)(F)F	REAL300020200288	1	33	-1.0	-44.60	330.17	3.48	-41.12
O=C(CCC1=NC(C2=CC=CO2)=NO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200289	0	37	-1.0	-49.13	356.67	0.18	-48.95
O=C(CCC1=NC(C2=CC=CO2)=NO1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200289	1	37	-1.0	-49.20	356.62	0.21	-48.99
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CNC1=O	REAL300020200290	0	29	-1.0	-56.66	280.39	-0.71	-57.37
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CNC1=O	REAL300020200290	1	29	-1.0	-56.61	280.44	-0.74	-57.35
O=C(CN1N=NC(C2=CC=CC=C2)=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200291	0	37	-1.0	-52.77	354.52	1.75	-51.02
O=C(CN1N=NC(C2=CC=CC=C2)=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200291	1	37	-1.0	-52.72	354.58	1.72	-51.00
CC(=O)NCCCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200292	0	41	-1.0	-50.54	368.11	0.45	-50.09
CC(=O)NCCCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200292	1	41	-1.0	-50.47	368.16	0.42	-50.05
O=C(CSC1=CC=CC=[N+]1[O-])NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200293	0	33	-1.0	-66.89	327.32	1.71	-65.18
O=C(CSC1=CC=CC=[N+]1[O-])NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200293	1	33	-1.0	-66.87	327.37	1.69	-65.18
COCCN1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1=O	REAL300020200294	0	40	-1.0	-47.76	360.61	-0.26	-48.02
COCCN1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1=O	REAL300020200294	1	40	-1.0	-47.76	360.66	-0.30	-48.06
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(=O)N(C2CC2)C1	REAL300020200295	0	37	-1.0	-47.01	332.02	1.24	-45.77
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(=O)N(C2CC2)C1	REAL300020200295	1	37	-1.0	-46.97	332.07	1.21	-45.76
CC(C)C1CCC(C)CC1OCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200296	0	51	-1.0	-46.26	411.88	5.04	-41.22
CC(C)C1CCC(C)CC1OCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200296	1	51	-1.0	-46.23	411.93	5.01	-41.22
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020200297	0	34	-1.0	-45.50	330.43	0.96	-44.54
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020200297	1	34	-1.0	-45.56	330.38	0.99	-44.57
CC(C)C(=O)N1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020200298	0	45	-1.0	-49.17	378.83	2.44	-46.73
CC(C)C(=O)N1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020200298	1	45	-1.0	-49.14	378.88	2.40	-46.74
CC1=CC=CC(C2=CC=CC=C2C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200299	0	42	-1.0	-45.95	374.36	6.30	-39.65
CC1=CC=CC(C2=CC=CC=C2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200299	1	42	-1.0	-45.91	374.42	6.27	-39.64
CC1=NN(CCC#N)C(C)=C1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200300	0	45	-1.0	-49.78	408.80	3.68	-46.10
CC1=NN(CCC#N)C(C)=C1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200300	1	45	-1.0	-49.74	408.85	3.65	-46.09
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200301	0	48	-1.0	-43.00	399.26	1.24	-41.76
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200301	1	48	-1.0	-42.94	399.31	1.22	-41.72
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200302	0	51	-1.0	-44.47	415.35	1.45	-43.02
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200302	1	51	-1.0	-44.42	415.41	1.43	-42.99
O=C(CN1C=CC=C(C(F)(F)F)C1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200303	0	35	-1.0	-54.61	344.80	2.36	-52.25
O=C(CN1C=CC=C(C(F)(F)F)C1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200303	1	35	-1.0	-54.55	344.85	2.33	-52.22
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2N=CC=CN2N=C1	REAL300020200304	0	31	-1.0	-55.64	302.56	0.95	-54.69
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CC1=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C(C2=CC=CS2)O1	REAL300020200305	0	38	-1.0	-53.39	370.24	0.78	-52.61
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CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1O	REAL300020200343	1	33	-1.0	-45.87	309.32	-0.07	-45.94
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CC(OC1=CC=CC=C1F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200344	1	36	-1.0	-50.75	334.67	3.28	-47.47
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CN1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1=O	REAL300020200347	0	36	-1.0	-47.78	320.94	0.28	-47.50
CN1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1=O	REAL300020200347	1	36	-1.0	-47.72	320.99	0.25	-47.47
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CNC(=O)C1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200348	1	40	-1.0	-50.50	369.20	1.51	-48.99
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C(=O)CCC1=O	REAL300020200349	0	35	-1.0	-52.07	321.66	1.09	-50.98
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C(=O)CCC1=O	REAL300020200349	1	35	-1.0	-52.06	321.71	1.07	-50.99
CC(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1=CC=CC=C1	REAL300020200350	0	45	-1.0	-46.92	385.13	4.76	-42.16
CC(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C1=CC=CC=C1	REAL300020200350	1	45	-1.0	-46.89	385.19	4.73	-42.16
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CCN1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1=O	REAL300020200380	1	36	-1.0	-47.29	327.30	0.61	-46.68
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CC(C)(C)C1=CC=C(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CC2)C=C1	REAL300020200387	1	48	-1.0	-43.86	405.47	6.06	-37.80
CC(C)CN1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1=O	REAL300020200388	0	42	-1.0	-46.65	364.18	1.96	-44.69
CC(C)CN1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1=O	REAL300020200388	1	42	-1.0	-46.59	364.24	1.92	-44.67
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CNC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200416	1	34	-1.0	-44.29	307.97	1.21	-43.08
CCCCNC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200417	0	43	-1.0	-44.02	372.40	3.60	-40.42
CCCCNC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200417	1	43	-1.0	-44.01	372.45	3.56	-40.45
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CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)NC1=O	REAL300020200419	0	32	-1.0	-51.55	305.81	-1.56	-53.11
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CN(C)C(=O)N1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020200422	0	44	-1.0	-49.52	365.13	1.31	-48.21
CN(C)C(=O)N1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020200422	1	44	-1.0	-49.45	365.18	1.28	-48.17
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CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C=CC=N1	REAL300020200424	0	32	-1.0	-46.83	301.61	0.62	-46.21
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C=CC=N1	REAL300020200424	1	32	-1.0	-46.89	301.56	0.65	-46.24
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CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1=CC=CC=N1	REAL300020200425	1	41	-1.0	-49.05	370.48	4.23	-44.82
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CCC1=NNC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200427	0	32	-1.0	-46.63	299.90	-0.17	-46.80
CCC1=NNC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200427	1	32	-1.0	-46.56	299.95	-0.20	-46.76
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2NC(=O)CCCC2=C1	REAL300020200428	0	40	-1.0	-47.82	353.62	2.18	-45.64
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2NC(=O)CCCC2=C1	REAL300020200428	1	40	-1.0	-47.78	353.68	2.15	-45.63
O=C(CCOC1=CC=CC(Cl)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200429	0	36	-1.0	-44.36	349.44	2.89	-41.47
O=C(CCOC1=CC=CC(Cl)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200429	1	36	-1.0	-44.34	349.49	2.87	-41.47
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC(CC2=CC=CC=C2)=N1	REAL300020200430	0	41	-1.0	-44.76	385.73	4.32	-40.44
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC(CC2=CC=CC=C2)=N1	REAL300020200430	1	41	-1.0	-44.74	385.78	4.29	-40.45
CC1=CC=C([N+](=O)[O-])C(OCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200431	0	41	-1.0	-50.13	380.14	4.48	-45.65
CC1=CC=C([N+](=O)[O-])C(OCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200431	1	41	-1.0	-50.09	380.19	4.45	-45.64
O=C(CSC(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200432	0	26	-1.0	-43.97	285.62	0.79	-43.18
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CC(OCC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200433	0	39	-1.0	-47.94	356.29	3.88	-44.06
CC(OCC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200433	1	39	-1.0	-47.90	356.35	3.85	-44.05
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC=C2)C=C1	REAL300020200434	0	36	-1.0	-49.36	339.64	3.18	-46.18
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC=C2)C=C1	REAL300020200434	1	36	-1.0	-49.43	339.59	3.21	-46.22
CN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)S(C)(=O)=O	REAL300020200435	0	33	-1.0	-58.89	320.57	-2.78	-61.67
CN(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)S(C)(=O)=O	REAL300020200435	1	33	-1.0	-58.85	320.62	-2.81	-61.66
O=C(CCN1C=CC=CC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200436	0	35	-1.0	-56.18	328.04	1.82	-54.36
O=C(CCN1C=CC=CC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200436	1	35	-1.0	-56.21	328.09	1.79	-54.42
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(=O)N(C2CCCCC2)C1	REAL300020200437	0	46	-1.0	-49.31	384.28	3.07	-46.24
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(=O)N(C2CCCCC2)C1	REAL300020200437	1	46	-1.0	-49.30	384.34	3.04	-46.26
O=C(CC1=CC=C(N2C=CC=C2)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200438	0	40	-1.0	-47.52	363.72	5.53	-41.99
O=C(CC1=CC=C(N2C=CC=C2)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200438	1	40	-1.0	-47.46	363.78	5.50	-41.96
O=C(COC1=CC=CC=C1C(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200439	0	36	-1.0	-51.27	349.23	3.68	-47.59
O=C(COC1=CC=CC=C1C(F)(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200439	1	36	-1.0	-51.22	349.28	3.65	-47.57
O=C(CN1C=CC=NC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200440	0	31	-1.0	-57.12	301.95	-0.80	-57.92
O=C(CN1C=CC=NC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200440	1	31	-1.0	-57.11	302.00	-0.83	-57.94
CCC1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200441	0	32	-1.0	-44.52	303.41	-0.15	-44.67
CCC1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200441	1	32	-1.0	-44.50	303.46	-0.18	-44.68
CN(C)S(=O)(=O)C1=CNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200442	0	38	-1.0	-52.21	363.86	-2.26	-54.47
CN(C)S(=O)(=O)C1=CNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200442	1	38	-1.0	-52.18	363.91	-2.29	-54.47
CC1=NC2=CC(F)=CC=C2C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200443	0	37	-1.0	-43.98	342.38	3.11	-40.87
CC1=NC2=CC(F)=CC=C2C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200443	1	37	-1.0	-43.95	342.43	3.08	-40.87
CCCCCCOCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200444	0	41	-1.0	-46.35	363.39	3.23	-43.12
CCCCCCOCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200444	1	41	-1.0	-46.32	363.44	3.20	-43.12
COC1=C2OC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=CC=C1	REAL300020200445	0	36	-1.0	-48.90	338.95	1.73	-47.17
COC1=C2OC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=CC=C1	REAL300020200445	1	36	-1.0	-48.84	339.00	1.70	-47.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=CC=C1N1C=NN=N1	REAL300020200446	0	34	-1.0	-54.72	340.97	2.76	-51.96
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=CC=C1N1C=NN=N1	REAL300020200446	1	34	-1.0	-54.75	340.92	2.79	-51.96
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL300020200447	0	36	-1.0	-48.76	346.05	3.25	-45.51
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL300020200447	1	36	-1.0	-48.77	346.00	3.28	-45.49
O=C(CCOC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200448	0	36	-1.0	-44.86	364.61	3.35	-41.51
O=C(CCOC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200448	1	36	-1.0	-44.84	364.66	3.32	-41.52
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C2C(=O)NN(C)C2=N1	REAL300020200449	0	38	-1.0	-54.35	349.69	1.48	-52.87
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C2C(=O)NN(C)C2=N1	REAL300020200449	1	38	-1.0	-54.32	349.75	1.45	-52.87
O=C(CCOC1=CC=CC=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200450	0	36	-1.0	-45.60	348.74	2.93	-42.67
O=C(CCOC1=CC=CC=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200450	1	36	-1.0	-45.54	348.79	2.91	-42.63
O=C(CCCNC(=O)C1CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200451	0	39	-1.0	-49.10	355.94	0.46	-48.64
O=C(CCCNC(=O)C1CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200451	1	39	-1.0	-49.01	355.99	0.44	-48.57
CC(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C1=CC=CC=N1	REAL300020200452	0	44	-1.0	-48.60	381.75	4.60	-44.00
CC(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1=CC=CC=N1	REAL300020200452	1	44	-1.0	-48.63	381.70	4.63	-44.00
CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020200453	0	34	-1.0	-48.44	341.48	-3.72	-52.16
CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020200453	1	34	-1.0	-48.42	341.53	-3.75	-52.17
CC1=CC=CC(C)=C1OCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200454	0	42	-1.0	-45.69	374.46	3.92	-41.77
CC1=CC=CC(C)=C1OCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200454	1	42	-1.0	-45.64	374.51	3.89	-41.75
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(=O)N(CC(F)(F)F)C1	REAL300020200455	0	36	-1.0	-48.96	345.93	1.08	-47.88
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(=O)N(CC(F)(F)F)C1	REAL300020200455	1	36	-1.0	-48.91	345.98	1.04	-47.87
O=C(CCC1CCCO1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200456	0	36	-1.0	-45.56	320.74	0.86	-44.70
O=C(CCC1CCCO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200456	1	36	-1.0	-45.55	320.79	0.83	-44.72
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1=CC=CC=C1C	REAL300020200457	0	42	-1.0	-47.49	373.49	4.56	-42.93
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C1=CC=CC=C1C	REAL300020200457	1	42	-1.0	-47.44	373.55	4.54	-42.90
CC1=NN(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=N2)C(C)=C1	REAL300020200458	0	41	-1.0	-46.97	373.64	4.00	-42.97
CC1=NN(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=N2)C(C)=C1	REAL300020200458	1	41	-1.0	-46.99	373.59	4.03	-42.96
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)C2=CC(Cl)=CC=C2N1	REAL300020200459	0	33	-1.0	-44.63	343.34	3.04	-41.59
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)C2=CC(Cl)=CC=C2N1	REAL300020200459	1	33	-1.0	-44.63	343.40	3.01	-41.62
CN(C)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020200460	0	36	-1.0	-46.52	326.39	1.90	-44.62
CN(C)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020200460	1	36	-1.0	-46.54	326.33	1.93	-44.61
CCN1N=C(C(C)C)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200461	0	41	-1.0	-44.21	362.51	2.52	-41.69
CCN1N=C(C(C)C)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200461	1	41	-1.0	-44.15	362.57	2.49	-41.66
CC1=CC=C(C2=NC(CC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CS2)O1	REAL300020200462	0	38	-1.0	-52.63	371.00	2.53	-50.10
CC1=CC=C(C2=NC(CC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CS2)O1	REAL300020200462	1	38	-1.0	-52.64	370.95	2.56	-50.08
CN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)C1=CC=CS1	REAL300020200463	0	36	-1.0	-50.15	343.79	1.45	-48.70
CN(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)C1=CC=CS1	REAL300020200463	1	36	-1.0	-50.12	343.84	1.42	-48.70
O=C(CCNS(=O)(=O)C1=CC=CN=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200464	0	39	-1.0	-51.35	374.04	-2.73	-54.08
O=C(CCNS(=O)(=O)C1=CC=CN=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200464	1	39	-1.0	-51.38	373.99	-2.70	-54.08
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(CN2C=CC=N2)O1	REAL300020200465	0	36	-1.0	-48.74	346.78	1.88	-46.86
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CN2C=CC=N2)O1	REAL300020200465	1	36	-1.0	-48.79	346.73	1.91	-46.88
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(C)=C1OC(F)F	REAL300020200466	0	39	-1.0	-46.41	356.56	3.13	-43.28
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(C)=C1OC(F)F	REAL300020200466	1	39	-1.0	-46.36	356.61	3.11	-43.25
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(OC2CCCC2)C=C1	REAL300020200467	0	43	-1.0	-44.57	372.71	4.28	-40.29
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(OC2CCCC2)C=C1	REAL300020200467	1	43	-1.0	-44.53	372.76	4.25	-40.28
CC1=CC=CC(NC(=O)NCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200468	0	41	-1.0	-48.26	373.34	0.47	-47.79
CC1=CC=CC(NC(=O)NCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200468	1	41	-1.0	-48.19	373.40	0.44	-47.75
COCC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200469	0	36	-1.0	-44.53	326.09	1.98	-42.55
COCC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200469	1	36	-1.0	-44.47	326.14	1.95	-42.52
NS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020200470	0	34	-1.0	-52.50	349.47	-3.14	-55.64
NS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020200470	1	34	-1.0	-52.44	349.53	-3.17	-55.61
CC(C)(C)N1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1=O	REAL300020200471	0	42	-1.0	-46.41	359.32	1.71	-44.70
CC(C)(C)N1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1=O	REAL300020200471	1	42	-1.0	-46.37	359.37	1.68	-44.69
COCCSCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200472	0	33	-1.0	-45.74	321.02	0.16	-45.58
COCCSCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200472	1	33	-1.0	-45.73	321.08	0.13	-45.60
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2=CC=C(F)C=C2)=NO1	REAL300020200473	0	38	-1.0	-46.85	364.54	3.77	-43.08
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2=CC=C(F)C=C2)=NO1	REAL300020200473	1	38	-1.0	-46.85	364.49	3.80	-43.05
O=C(CN1CCCCC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200474	0	36	-1.0	-53.14	323.32	1.06	-52.08
O=C(CN1CCCCC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200474	1	36	-1.0	-53.10	323.37	1.03	-52.07
O=C(CN1CCCNC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200475	0	35	-1.0	-55.52	318.36	-1.06	-56.58
O=C(CN1CCCNC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200475	1	35	-1.0	-55.47	318.42	-1.09	-56.56
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=CC=C2F)CCCC1	REAL300020200476	0	42	-1.0	-42.98	358.16	5.26	-37.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=CC=C2F)CCCC1	REAL300020200476	1	42	-1.0	-42.92	358.21	5.23	-37.69
CN1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1=O	REAL300020200477	0	33	-1.0	-49.52	305.39	-0.38	-49.90
CN1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1=O	REAL300020200477	1	33	-1.0	-49.43	305.45	-0.41	-49.84
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=NN1C1=CC=C(F)C=C1	REAL300020200478	0	38	-1.0	-47.25	358.50	2.31	-44.94
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=NN1C1=CC=C(F)C=C1	REAL300020200478	1	38	-1.0	-47.20	358.55	2.27	-44.93
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC2=CC=CC=C2C1=O	REAL300020200479	0	35	-1.0	-57.33	327.23	2.19	-55.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC2=CC=CC=C2C1=O	REAL300020200479	1	35	-1.0	-57.31	327.28	2.16	-55.15
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=CC=CC=C2F)S1	REAL300020200480	0	36	-1.0	-45.25	357.70	4.90	-40.35
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=CC=CC=C2F)S1	REAL300020200480	1	36	-1.0	-45.26	357.76	4.87	-40.39
CC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1C#N	REAL300020200481	0	32	-1.0	-45.18	315.62	1.20	-43.98
CC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1C#N	REAL300020200481	1	32	-1.0	-45.16	315.67	1.17	-43.99
CC(=O)NC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020200482	0	32	-1.0	-47.85	322.13	-0.90	-48.75
CC(=O)NC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020200482	1	32	-1.0	-47.90	322.08	-0.87	-48.77
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCN(C(=O)C2CC2)C1	REAL300020200483	0	43	-1.0	-52.57	369.50	2.62	-49.95
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCN(C(=O)C2CC2)C1	REAL300020200483	1	43	-1.0	-52.50	369.56	2.59	-49.91
O=C(COC1=CC=CC(NC(=O)C2CC2)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200484	0	44	-1.0	-51.75	398.94	3.11	-48.64
O=C(COC1=CC=CC(NC(=O)C2CC2)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200484	1	44	-1.0	-51.69	398.99	3.08	-48.61
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL300020200485	0	35	-1.0	-47.58	353.46	3.57	-44.01
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL300020200485	1	35	-1.0	-47.59	353.41	3.60	-43.99
CC(C)C(=O)NC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200486	0	42	-1.0	-50.68	374.58	2.43	-48.25
CC(C)C(=O)NC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200486	1	42	-1.0	-50.60	374.63	2.41	-48.19
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=CC=C(Cl)C=C2N1	REAL300020200487	0	33	-1.0	-43.98	328.68	2.49	-41.49
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=CC=C(Cl)C=C2N1	REAL300020200487	1	33	-1.0	-43.93	328.73	2.46	-41.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2NC(=O)NC2=C1	REAL300020200488	0	33	-1.0	-48.20	313.92	-1.13	-49.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2NC(=O)NC2=C1	REAL300020200488	1	33	-1.0	-48.12	313.97	-1.15	-49.27
CC1=CC=C(C2=NOC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)C=C1	REAL300020200489	0	38	-1.0	-45.49	358.33	3.69	-41.80
CC1=CC=C(C2=NOC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)C=C1	REAL300020200489	1	38	-1.0	-45.52	358.28	3.72	-41.80
CN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)S(=O)(=O)C1=CC=CC=C1	REAL300020200490	0	40	-1.0	-52.39	377.52	0.47	-51.92
CN(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)S(=O)(=O)C1=CC=CC=C1	REAL300020200490	1	40	-1.0	-52.34	377.58	0.44	-51.90
CC(C)C1=NOC(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020200491	0	39	-1.0	-45.93	358.11	0.21	-45.72
CC(C)C1=NOC(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020200491	1	39	-1.0	-45.92	358.17	0.18	-45.74
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200492	0	40	-1.0	-52.96	384.11	2.58	-50.38
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200492	1	40	-1.0	-52.91	384.17	2.55	-50.36
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC=C2F)C=C1	REAL300020200493	0	36	-1.0	-54.06	344.14	3.34	-50.72
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC=C2F)C=C1	REAL300020200493	1	36	-1.0	-54.11	344.09	3.37	-50.74
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=CC=C2)CCOCC1	REAL300020200494	0	43	-1.0	-44.30	361.92	2.99	-41.31
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=CC=C2)CCOCC1	REAL300020200494	1	43	-1.0	-44.23	361.98	2.96	-41.27
COC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=N1	REAL300020200495	0	32	-1.0	-45.52	305.65	-1.23	-46.75
COC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=N1	REAL300020200495	1	32	-1.0	-45.49	305.60	-1.20	-46.69
CCCS(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200496	0	41	-1.0	-52.44	369.01	2.32	-50.12
CCCS(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200496	1	41	-1.0	-52.43	369.06	2.29	-50.14
CC1=NC(C)=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)N1	REAL300020200497	0	37	-1.0	-51.98	340.79	-0.07	-52.05
CC1=NC(C)=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)N1	REAL300020200497	1	37	-1.0	-51.97	340.84	-0.10	-52.07
CC1=CC=C(C2=NC(C)=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)S2)O1	REAL300020200498	0	38	-1.0	-45.70	367.26	2.49	-43.21
CC1=CC=C(C2=NC(C)=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)S2)O1	REAL300020200498	1	38	-1.0	-45.73	367.21	2.52	-43.21
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300020200499	0	42	-1.0	-50.71	382.06	1.80	-48.91
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300020200499	1	42	-1.0	-50.69	382.11	1.78	-48.91
CC(C)(C)C1=NOC(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020200500	0	45	-1.0	-50.28	399.03	1.54	-48.74
CC(C)(C)C1=NOC(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020200500	1	45	-1.0	-50.21	399.08	1.51	-48.70
CC(=O)C1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200501	0	37	-1.0	-50.94	343.35	3.14	-47.80
CC(=O)C1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200501	1	37	-1.0	-50.89	343.40	3.11	-47.78
CN(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)S(=O)(=O)C1=CC=CN=C1	REAL300020200502	0	39	-1.0	-55.55	372.58	-1.35	-56.90
CN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)S(=O)(=O)C1=CC=CN=C1	REAL300020200502	1	39	-1.0	-55.54	372.53	-1.32	-56.86
NS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1F	REAL300020200503	0	34	-1.0	-50.29	337.89	-2.93	-53.22
NS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1F	REAL300020200503	1	34	-1.0	-50.28	337.94	-2.96	-53.24
CCCCC(CC)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200504	0	40	-1.0	-43.20	340.08	3.08	-40.12
CCCCC(CC)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200504	1	40	-1.0	-43.17	340.13	3.05	-40.12
COC(=O)N(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200505	0	33	-1.0	-48.49	313.34	-0.26	-48.75
COC(=O)N(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200505	1	33	-1.0	-48.49	313.39	-0.29	-48.78
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCN(C(=O)N2CCCC2)C1	REAL300020200506	0	48	-1.0	-49.72	393.67	2.58	-47.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCN(C(=O)N2CCCC2)C1	REAL300020200506	1	48	-1.0	-49.65	393.72	2.55	-47.10
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200507	0	36	-1.0	-48.97	352.33	3.99	-44.98
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200507	1	36	-1.0	-48.89	352.39	3.96	-44.93
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300020200508	0	38	-1.0	-59.45	367.91	3.85	-55.60
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300020200508	1	38	-1.0	-59.46	367.85	3.88	-55.58
CC1=CC=C(C2=NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CS2)O1	REAL300020200509	0	35	-1.0	-49.97	349.98	1.69	-48.28
CC1=CC=C(C2=NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CS2)O1	REAL300020200509	1	35	-1.0	-49.94	349.93	1.72	-48.22
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(C1=CC=CC=C1)N1CCCCC1=O	REAL300020200510	0	46	-1.0	-56.02	391.38	5.80	-50.22
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(C1=CC=CC=C1)N1CCCCC1=O	REAL300020200510	1	46	-1.0	-56.01	391.44	5.77	-50.24
CC1=NOC(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020200511	0	36	-1.0	-50.44	337.31	-0.07	-50.51
CC1=NOC(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020200511	1	36	-1.0	-50.36	337.36	-0.10	-50.46
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200512	0	41	-1.0	-48.99	389.66	4.38	-44.61
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200512	1	41	-1.0	-48.95	389.71	4.36	-44.59
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)OC2=C1C(=O)CCC2	REAL300020200513	0	38	-1.0	-49.29	344.53	2.56	-46.73
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)OC2=C1C(=O)CCC2	REAL300020200513	1	38	-1.0	-49.21	344.59	2.53	-46.68
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200514	0	41	-1.0	-48.75	366.73	2.15	-46.60
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200514	1	41	-1.0	-48.69	366.79	2.12	-46.57
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(OCC2=CC=CS2)=C1	REAL300020200515	0	40	-1.0	-47.42	379.69	4.41	-43.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(OCC2=CC=CS2)=C1	REAL300020200515	1	40	-1.0	-47.36	379.74	4.39	-42.97
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020200516	0	36	-2.0	-87.18	343.56	-2.69	-89.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020200516	1	36	-2.0	-87.14	343.61	-2.72	-89.86
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC(CC2=CC=CC=C2)=N1	REAL300020200517	0	38	-1.0	-47.20	368.79	3.54	-43.66
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC(CC2=CC=CC=C2)=N1	REAL300020200517	1	38	-1.0	-47.17	368.85	3.52	-43.65
CC(C)NC(=O)NC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200518	0	44	-1.0	-56.20	391.56	1.24	-54.96
CC(C)NC(=O)NC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200518	1	44	-1.0	-56.16	391.60	1.21	-54.95
CCC(CC)N1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1=O	REAL300020200519	0	45	-1.0	-46.44	383.66	3.35	-43.09
CCC(CC)N1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1=O	REAL300020200519	1	45	-1.0	-46.40	383.71	3.32	-43.08
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC=C1C1=CC=CC=C1	REAL300020200520	0	37	-1.0	-49.84	342.06	3.57	-46.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC=C1C1=CC=CC=C1	REAL300020200520	1	37	-1.0	-49.78	342.11	3.55	-46.23
CCC(=O)NC(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200521	0	35	-1.0	-47.17	321.35	-0.91	-48.08
CCC(=O)NC(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200521	1	35	-1.0	-47.06	321.40	-0.94	-48.00
CC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200522	0	34	-1.0	-47.65	320.94	2.56	-45.09
CC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200522	1	34	-1.0	-47.62	320.99	2.53	-45.09
O=C(CCNC(=O)OCC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200523	0	43	-1.0	-50.67	396.22	1.45	-49.22
O=C(CCNC(=O)OCC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200523	1	43	-1.0	-50.66	396.28	1.42	-49.24
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1CC1=CC=CC=C1	REAL300020200524	0	42	-1.0	-47.81	380.02	4.15	-43.66
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1CC1=CC=CC=C1	REAL300020200524	1	42	-1.0	-47.76	380.07	4.12	-43.64
N#CC(=CC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200525	0	34	-1.0	-48.03	334.74	3.40	-44.63
N#CC(=CC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200525	1	34	-1.0	-47.92	334.79	3.37	-44.55
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=[N+]1[O-]	REAL300020200526	0	29	-1.0	-66.63	282.55	2.24	-64.39
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=[N+]1[O-]	REAL300020200526	1	29	-1.0	-66.63	282.61	2.21	-64.42
NC(=S)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200527	0	33	-1.0	-52.43	325.87	1.30	-51.13
NC(=S)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200527	1	33	-1.0	-52.45	325.93	1.27	-51.18
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC=N1	REAL300020200528	0	28	-1.0	-44.32	282.38	-0.17	-44.49
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=N1	REAL300020200528	1	28	-1.0	-44.31	282.43	-0.20	-44.51
O=C(C=CC1=C(F)C=CC=C1F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200529	0	33	-1.0	-47.31	326.45	3.43	-43.88
O=C(C=CC1=C(F)C=CC=C1F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200529	1	33	-1.0	-47.23	326.50	3.41	-43.82
O=C(CCCC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200530	0	38	-1.0	-45.92	345.73	4.33	-41.59
O=C(CCCC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200530	1	38	-1.0	-45.87	345.78	4.31	-41.56
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2C=CNC2=CC=C1	REAL300020200531	0	33	-1.0	-49.40	307.31	2.07	-47.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2C=CNC2=CC=C1	REAL300020200531	1	33	-1.0	-49.36	307.36	2.04	-47.32
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=CC(Br)=C1	REAL300020200532	0	29	-1.0	-42.37	305.92	2.76	-39.61
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=CC(Br)=C1	REAL300020200532	1	29	-1.0	-42.38	305.97	2.73	-39.65
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1N1C=CC=N1	REAL300020200533	0	36	-1.0	-49.22	336.76	3.73	-45.49
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1N1C=CC=N1	REAL300020200533	1	36	-1.0	-49.24	336.71	3.76	-45.48
O=C(CCOC1=CC=C(Cl)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200534	0	36	-1.0	-44.22	349.43	2.89	-41.33
O=C(CCOC1=CC=C(Cl)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200534	1	36	-1.0	-44.19	349.49	2.87	-41.32
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CN2C=CN=C2)C=C1	REAL300020200535	0	39	-1.0	-51.33	361.48	5.33	-46.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(CN2C=CN=C2)C=C1	REAL300020200535	1	39	-1.0	-51.26	361.54	5.31	-45.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL300020200536	0	39	-1.0	-47.51	356.84	5.54	-41.97
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL300020200536	1	39	-1.0	-47.48	356.89	5.52	-41.96
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN=C1N1CCCCC1	REAL300020200537	0	43	-1.0	-46.39	370.59	3.61	-42.78
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN=C1N1CCCCC1	REAL300020200537	1	43	-1.0	-46.42	370.53	3.64	-42.78
O=C(CCOCC1CCCO1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200538	0	40	-1.0	-46.10	355.43	0.26	-45.84
O=C(CCOCC1CCCO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200538	1	40	-1.0	-46.10	355.48	0.23	-45.87
O=C(COCCOC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200539	0	40	-1.0	-51.71	367.23	2.88	-48.83
O=C(COCCOC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200539	1	40	-1.0	-51.65	367.29	2.85	-48.80
COC1=CC=CC(COCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200540	0	40	-1.0	-50.62	366.82	2.43	-48.19
COC1=CC=CC(COCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200540	1	40	-1.0	-50.59	366.87	2.40	-48.19
CN1N=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C(F)(F)F	REAL300020200541	0	32	-1.0	-45.92	312.28	0.57	-45.35
CN1N=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C(F)(F)F	REAL300020200541	1	32	-1.0	-45.98	312.23	0.60	-45.38
CC1=CC=C(N2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N=N2)C=C1	REAL300020200542	0	38	-1.0	-48.40	356.96	2.40	-46.00
CC1=CC=C(N2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N=N2)C=C1	REAL300020200542	1	38	-1.0	-48.46	356.91	2.43	-46.03
CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1CC1=CC=CC=C1	REAL300020200543	0	45	-1.0	-47.42	398.05	4.73	-42.69
CCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1CC1=CC=CC=C1	REAL300020200543	1	45	-1.0	-47.38	398.10	4.70	-42.68
COCCS(=O)(=O)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200544	0	35	-1.0	-56.90	339.49	-3.27	-60.17
COCCS(=O)(=O)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200544	1	35	-1.0	-56.85	339.54	-3.30	-60.15
O=C(CC1=CC2=CC=CC=C2NC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200545	0	38	-1.0	-51.13	353.19	1.81	-49.32
O=C(CC1=CC2=CC=CC=C2NC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200545	1	38	-1.0	-51.11	353.24	1.78	-49.33
CC1=CC2=NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C(=O)N2C=C1	REAL300020200546	0	37	-1.0	-54.48	342.06	2.91	-51.57
CC1=CC2=NC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C(=O)N2C=C1	REAL300020200546	1	37	-1.0	-54.43	342.11	2.88	-51.55
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C(C2=CC=CC=C2)S1	REAL300020200547	0	35	-1.0	-45.06	345.06	2.94	-42.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C(C2=CC=CC=C2)S1	REAL300020200547	1	35	-1.0	-45.11	345.01	2.97	-42.14
O=C(CCCN1C(=O)CCC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200548	0	38	-1.0	-53.31	351.07	1.00	-52.31
O=C(CCCN1C(=O)CCC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200548	1	38	-1.0	-53.27	351.13	0.98	-52.29
O=C(CCOC1=CC=C(F)C(Cl)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200549	0	36	-1.0	-45.43	355.29	2.94	-42.49
O=C(CCOC1=CC=C(F)C(Cl)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200549	1	36	-1.0	-45.39	355.35	2.92	-42.47
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C(C2=CC=CS2)O1	REAL300020200550	0	35	-1.0	-46.95	347.46	0.25	-46.70
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C(C2=CC=CS2)O1	REAL300020200550	1	35	-1.0	-47.01	347.41	0.28	-46.73
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL300020200551	0	35	-1.0	-44.60	343.34	3.09	-41.51
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL300020200551	1	35	-1.0	-44.63	343.29	3.11	-41.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCN(C(=O)N2CCCC2)CC1	REAL300020200552	0	48	-1.0	-54.10	393.11	2.39	-51.71
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCN(C(=O)N2CCCC2)CC1	REAL300020200552	1	48	-1.0	-54.06	393.17	2.36	-51.70
CC(C)CC1=CC=C(C(=O)CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200553	0	49	-1.0	-45.96	425.63	6.06	-39.90
CC(C)CC1=CC=C(C(=O)CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200553	1	49	-1.0	-45.86	425.68	6.03	-39.83
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200554	0	37	-1.0	-54.19	359.62	2.98	-51.21
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200554	1	37	-1.0	-54.24	359.57	3.01	-51.23
CCN1CCN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)C1=O	REAL300020200555	0	40	-1.0	-57.45	363.17	1.07	-56.38
CCN1CCN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)C1=O	REAL300020200555	1	40	-1.0	-57.42	363.23	1.04	-56.38
COC1=CC=C2NC=C(CC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C2=C1	REAL300020200556	0	40	-1.0	-53.51	364.30	2.09	-51.42
COC1=CC=C2NC=C(CC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C2=C1	REAL300020200556	1	40	-1.0	-53.51	364.35	2.06	-51.45
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCN(C2=NC=CC=N2)CC1	REAL300020200557	0	42	-1.0	-49.08	366.59	2.83	-46.25
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCN(C2=NC=CC=N2)CC1	REAL300020200557	1	42	-1.0	-49.12	366.53	2.85	-46.27
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)S(C)(=O)=O	REAL300020200558	0	31	-1.0	-56.99	301.48	-2.43	-59.42
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)S(C)(=O)=O	REAL300020200558	1	31	-1.0	-56.91	301.53	-2.47	-59.38
O=C(CCC(=O)C1=CC=CC2=CC=CC=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200559	0	43	-1.0	-48.75	385.81	5.65	-43.10
O=C(CCC(=O)C1=CC=CC2=CC=CC=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200559	1	43	-1.0	-48.74	385.86	5.62	-43.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1	REAL300020200560	0	38	-1.0	-50.05	364.19	5.21	-44.84
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1	REAL300020200560	1	38	-1.0	-50.06	364.26	5.17	-44.89
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(S(N)(=O)=O)=C(C)O1	REAL300020200561	0	37	-1.0	-54.09	356.41	-3.38	-57.47
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(S(N)(=O)=O)=C(C)O1	REAL300020200561	1	37	-1.0	-54.08	356.46	-3.41	-57.49
CN(C)C1=NC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200562	0	36	-1.0	-46.71	327.88	1.69	-45.02
CN(C)C1=NC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200562	1	36	-1.0	-46.79	327.83	1.71	-45.08
CCC1=CC(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1Cl	REAL300020200563	0	39	-1.0	-46.74	367.23	4.43	-42.31
CCC1=CC(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1Cl	REAL300020200563	1	39	-1.0	-46.66	367.29	4.40	-42.26
CC(OC1=CC=C2CCCC2=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200564	0	43	-1.0	-47.52	373.95	5.16	-42.36
CC(OC1=CC=C2CCCC2=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200564	1	43	-1.0	-47.49	374.00	5.13	-42.36
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200565	0	36	-1.0	-49.60	359.60	4.25	-45.35
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200565	1	36	-1.0	-49.61	359.65	4.22	-45.39
COC1=CC=CC(COC(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200566	0	43	-1.0	-50.47	386.60	3.13	-47.34
COC1=CC=CC(COC(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200566	1	43	-1.0	-50.43	386.66	3.10	-47.33
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200567	0	43	-1.0	-53.85	397.27	0.30	-53.55
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200567	1	43	-1.0	-53.77	397.32	0.27	-53.50
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC(C(C)C)=N1	REAL300020200568	0	37	-1.0	-43.63	346.59	1.90	-41.73
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC(C(C)C)=N1	REAL300020200568	1	37	-1.0	-43.59	346.64	1.87	-41.72
CCCC1=NC(C)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020200569	0	37	-1.0	-43.71	347.31	2.07	-41.64
CCCC1=NC(C)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020200569	1	37	-1.0	-43.67	347.36	2.04	-41.63
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200570	0	44	-1.0	-51.40	400.92	2.81	-48.59
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200570	1	44	-1.0	-51.38	400.98	2.78	-48.60
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2C=CNC2=C1	REAL300020200571	0	33	-1.0	-47.38	309.46	2.10	-45.28
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2C=CNC2=C1	REAL300020200571	1	33	-1.0	-47.34	309.51	2.07	-45.27
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2CCOC2=O)C=C1	REAL300020200572	0	38	-1.0	-53.22	346.75	2.15	-51.07
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2CCOC2=O)C=C1	REAL300020200572	1	38	-1.0	-53.18	346.80	2.12	-51.06
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL300020200573	0	38	-1.0	-48.32	367.43	3.86	-44.46
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL300020200573	1	38	-1.0	-48.35	367.38	3.89	-44.46
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(N2CCNC2=O)=C1	REAL300020200574	0	39	-1.0	-58.68	350.66	0.80	-57.88
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(N2CCNC2=O)=C1	REAL300020200574	1	39	-1.0	-58.67	350.71	0.77	-57.90
CC1=NN(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)CC1	REAL300020200575	0	41	-1.0	-48.99	368.25	3.52	-45.47
CC1=NN(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)CC1	REAL300020200575	1	41	-1.0	-48.98	368.30	3.49	-45.49
CC1=CC(NC(=O)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NO1	REAL300020200576	0	32	-1.0	-45.15	311.72	-0.48	-45.63
CC1=CC(NC(=O)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NO1	REAL300020200576	1	32	-1.0	-45.15	311.77	-0.52	-45.67
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL300020200577	0	42	-1.0	-44.23	374.41	5.85	-38.38
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL300020200577	1	42	-1.0	-44.18	374.46	5.82	-38.36
CC(C)OC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020200578	0	38	-1.0	-44.56	347.37	0.59	-43.97
CC(C)OC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020200578	1	38	-1.0	-44.62	347.31	0.61	-44.01
O=C(CC1=NN2C=CC=NC2=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200579	0	33	-1.0	-60.90	320.05	2.65	-58.25
O=C(CC1=NN2C=CC=NC2=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200579	1	33	-1.0	-60.79	320.10	2.62	-58.17
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300020200580	0	34	-1.0	-47.16	328.83	-2.45	-49.61
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300020200580	1	34	-1.0	-47.11	328.88	-2.48	-49.59
CC(C)CS(=O)(=O)CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200581	0	40	-1.0	-50.84	364.67	-0.21	-51.05
CC(C)CS(=O)(=O)CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200581	1	40	-1.0	-50.80	364.72	-0.24	-51.04
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=C(Br)N1	REAL300020200582	0	27	-1.0	-42.47	303.65	0.85	-41.62
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=C(Br)N1	REAL300020200582	1	27	-1.0	-42.42	303.70	0.82	-41.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=CC=C2)=NO1	REAL300020200583	0	35	-1.0	-45.62	336.93	3.03	-42.59
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=CC=C2)=NO1	REAL300020200583	1	35	-1.0	-45.64	336.88	3.05	-42.59
O=C(CC1=CC=C(OC(F)(F)F)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200584	0	36	-1.0	-45.45	348.83	2.54	-42.91
O=C(CC1=CC=C(OC(F)(F)F)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200584	1	36	-1.0	-45.38	348.89	2.51	-42.87
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020200585	0	43	-1.0	-46.82	386.59	4.45	-42.37
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020200585	1	43	-1.0	-46.87	386.54	4.47	-42.40
N#CC1=CC=C(CSCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200586	0	37	-1.0	-49.18	368.12	4.51	-44.67
N#CC1=CC=C(CSCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200586	1	37	-1.0	-49.13	368.17	4.48	-44.65
COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC(F)F	REAL300020200587	0	37	-1.0	-49.95	346.59	1.57	-48.38
COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC(F)F	REAL300020200587	1	37	-1.0	-49.90	346.64	1.54	-48.36
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(N2CCOC2=O)=C1	REAL300020200588	0	38	-1.0	-59.43	346.95	2.13	-57.30
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(N2CCOC2=O)=C1	REAL300020200588	1	38	-1.0	-59.41	347.00	2.11	-57.30
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C(C)(C)C	REAL300020200589	0	41	-1.0	-46.99	351.72	2.08	-44.91
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C(C)(C)C	REAL300020200589	1	41	-1.0	-46.94	351.78	2.05	-44.89
NC(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CN1	REAL300020200590	0	31	-1.0	-54.68	302.32	-3.37	-58.05
NC(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CN1	REAL300020200590	1	31	-1.0	-54.66	302.37	-3.40	-58.06
CC1=NN(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)C=C1	REAL300020200591	0	39	-1.0	-48.64	358.42	3.86	-44.78
CC1=NN(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)C=C1	REAL300020200591	1	39	-1.0	-48.62	358.48	3.83	-44.79
CC1=NN(C2=CC=C(CC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)C(C)=C1	REAL300020200592	0	45	-1.0	-52.63	401.97	4.94	-47.69
CC1=NN(C2=CC=C(CC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)C(C)=C1	REAL300020200592	1	45	-1.0	-52.58	402.02	4.91	-47.67
O=C(CS(=O)(=O)C1CCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200593	0	38	-1.0	-57.44	347.76	-0.42	-57.86
O=C(CS(=O)(=O)C1CCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200593	1	38	-1.0	-57.38	347.81	-0.44	-57.82
CCOC1=CC=CC2=C1OCC(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)=C2	REAL300020200594	0	42	-1.0	-48.31	375.20	3.34	-44.97
CCOC1=CC=CC2=C1OCC(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)=C2	REAL300020200594	1	42	-1.0	-48.22	375.25	3.31	-44.91
COC1=CC=CC=C1C1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200595	0	40	-1.0	-48.10	366.94	1.69	-46.41
COC1=CC=CC=C1C1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200595	1	40	-1.0	-48.07	366.99	1.66	-46.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=CS2)=NN1	REAL300020200596	0	33	-1.0	-45.37	331.90	1.22	-44.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=CS2)=NN1	REAL300020200596	1	33	-1.0	-45.35	331.95	1.19	-44.16
COC1=CC(C#N)=CC=C1OCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200597	0	44	-1.0	-51.58	404.24	3.45	-48.13
COC1=CC(C#N)=CC=C1OCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200597	1	44	-1.0	-51.56	404.29	3.42	-48.14
CC(C)CC1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200598	0	38	-1.0	-44.22	340.61	1.44	-42.78
CC(C)CC1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200598	1	38	-1.0	-44.19	340.67	1.41	-42.78
CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C	REAL300020200599	0	35	-1.0	-47.05	321.10	1.03	-46.02
CCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C	REAL300020200599	1	35	-1.0	-46.97	321.15	1.00	-45.97
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL300020200600	0	34	-1.0	-44.98	337.55	3.12	-41.86
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL300020200600	1	34	-1.0	-44.94	337.60	3.10	-41.84
CCC(OC1=CC=CC=C1C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200601	0	42	-1.0	-46.80	363.55	4.55	-42.25
CCC(OC1=CC=CC=C1C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200601	1	42	-1.0	-46.75	363.60	4.52	-42.23
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=C3OCOC3=C2)=NN1	REAL300020200602	0	39	-1.0	-47.83	365.76	0.77	-47.06
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=C3OCOC3=C2)=NN1	REAL300020200602	1	39	-1.0	-47.75	365.81	0.74	-47.01
CCOC1=CC=CC=C1C1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200603	0	43	-1.0	-48.07	388.79	2.61	-45.46
CCOC1=CC=CC=C1C1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200603	1	43	-1.0	-48.03	388.84	2.58	-45.45
CC(C)C1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200604	0	35	-1.0	-44.36	322.24	0.39	-43.97
CC(C)C1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200604	1	35	-1.0	-44.36	322.29	0.36	-44.00
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200605	0	39	-1.0	-51.38	361.25	3.92	-47.46
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200605	1	39	-1.0	-51.42	361.19	3.95	-47.47
O=C(CCCOC1=CC=CC2=CC=CC=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200606	0	45	-1.0	-49.10	399.24	5.48	-43.62
O=C(CCCOC1=CC=CC2=CC=CC=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200606	1	45	-1.0	-49.05	399.29	5.45	-43.60
O=C(CCC1=CC=NC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200607	0	34	-1.0	-45.78	319.11	1.78	-44.00
O=C(CCC1=CC=NC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200607	1	34	-1.0	-45.75	319.16	1.76	-43.99
CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CC1=O	REAL300020200608	0	32	-1.0	-48.23	302.66	0.87	-47.36
CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CC1=O	REAL300020200608	1	32	-1.0	-48.20	302.72	0.84	-47.36
CCCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C	REAL300020200609	0	38	-1.0	-46.85	342.62	1.81	-45.04
CCCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C	REAL300020200609	1	38	-1.0	-46.85	342.67	1.78	-45.07
COC1=CC=C2C(=C1)C=CN2CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200610	0	40	-1.0	-50.89	365.55	3.51	-47.38
COC1=CC=C2C(=C1)C=CN2CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200610	1	40	-1.0	-50.86	365.61	3.48	-47.38
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL300020200611	0	33	-1.0	-44.90	343.73	2.94	-41.96
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL300020200611	1	33	-1.0	-44.90	343.78	2.91	-41.99
CC(=O)NC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1C	REAL300020200612	0	39	-1.0	-54.53	353.06	1.84	-52.69
CC(=O)NC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1C	REAL300020200612	1	39	-1.0	-54.50	353.11	1.81	-52.69
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NN1C(C)(C)C	REAL300020200613	0	41	-1.0	-48.76	355.53	2.09	-46.67
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1C(C)(C)C	REAL300020200613	1	41	-1.0	-48.71	355.58	2.06	-46.65
CC(C)CS(=O)(=O)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200614	0	37	-1.0	-57.20	342.57	-0.78	-57.98
CC(C)CS(=O)(=O)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200614	1	37	-1.0	-57.12	342.62	-0.81	-57.93
O=C(CCS(=O)(=O)C1CCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200615	0	41	-1.0	-50.63	369.85	0.14	-50.49
O=C(CCS(=O)(=O)C1CCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200615	1	41	-1.0	-50.64	369.91	0.12	-50.52
COC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020200616	0	36	-1.0	-46.50	335.16	2.89	-43.61
COC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020200616	1	36	-1.0	-46.51	335.21	2.86	-43.65
CC(C)C1=CC=C(SCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200617	0	42	-1.0	-45.54	381.54	5.13	-40.41
CC(C)C1=CC=C(SCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200617	1	42	-1.0	-45.50	381.60	5.10	-40.40
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Br)C=CS1	REAL300020200618	0	26	-1.0	-44.39	288.01	1.69	-42.70
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Br)C=CS1	REAL300020200618	1	26	-1.0	-44.33	288.07	1.66	-42.67
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=CC(Cl)=C(Cl)C=C2N1	REAL300020200619	0	33	-1.0	-43.39	343.78	2.95	-40.44
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=CC(Cl)=C(Cl)C=C2N1	REAL300020200619	1	33	-1.0	-43.31	343.83	2.92	-40.39
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC(N2CCCC2)=NC=C1Cl	REAL300020200620	0	39	-1.0	-45.38	362.60	2.49	-42.89
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC(N2CCCC2)=NC=C1Cl	REAL300020200620	1	39	-1.0	-45.42	362.55	2.52	-42.90
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200621	0	44	-1.0	-46.24	385.61	6.55	-39.69
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200621	1	44	-1.0	-46.22	385.67	6.52	-39.70
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=CC=CC=C2)NC1=O	REAL300020200622	0	39	-1.0	-54.34	354.78	2.80	-51.54
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=CC=CC=C2)NC1=O	REAL300020200622	1	39	-1.0	-54.37	354.73	2.83	-51.54
CC1=NN(C)C2=NC(C)=C(CC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C(C)=C12	REAL300020200623	0	46	-1.0	-52.54	397.57	3.33	-49.21
CC1=NN(C)C2=NC(C)=C(CC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C(C)=C12	REAL300020200623	1	46	-1.0	-52.50	397.63	3.29	-49.21
CC(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200624	0	41	-1.0	-48.93	378.00	1.11	-47.82
CC(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200624	1	41	-1.0	-48.98	378.05	1.08	-47.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300020200625	0	32	-1.0	-42.23	329.19	3.35	-38.88
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300020200625	1	32	-1.0	-42.22	329.24	3.32	-38.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(CCC2)NC1=O	REAL300020200626	0	36	-1.0	-54.20	326.07	1.12	-53.08
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(CCC2)NC1=O	REAL300020200626	1	36	-1.0	-54.12	326.12	1.09	-53.03
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(OC1=CC=CC=C1)C1=CC=CC=C1	REAL300020200627	0	43	-1.0	-46.66	389.00	6.25	-40.41
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(OC1=CC=CC=C1)C1=CC=CC=C1	REAL300020200627	1	43	-1.0	-46.62	389.05	6.22	-40.40
O=C(CN1CCCCCCC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200628	0	42	-1.0	-46.99	348.23	2.41	-44.58
O=C(CN1CCCCCCC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200628	1	42	-1.0	-46.98	348.28	2.38	-44.60
CN1C(=O)C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C21	REAL300020200629	0	38	-1.0	-48.85	341.81	2.88	-45.97
CN1C(=O)C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C21	REAL300020200629	1	38	-1.0	-48.81	341.87	2.86	-45.95
CC1=NN(C(C)CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1	REAL300020200630	0	41	-1.0	-46.35	363.43	2.43	-43.92
CC1=NN(C(C)CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1	REAL300020200630	1	41	-1.0	-46.31	363.48	2.40	-43.91
N#CCC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200631	0	33	-1.0	-51.52	320.46	3.23	-48.29
N#CCC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200631	1	33	-1.0	-51.47	320.51	3.20	-48.27
COC(=O)C1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020200632	0	34	-1.0	-47.70	331.23	0.92	-46.78
COC(=O)C1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020200632	1	34	-1.0	-47.75	331.18	0.95	-46.80
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC(=O)NC1	REAL300020200633	0	33	-1.0	-47.29	301.16	-1.69	-48.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC(=O)NC1	REAL300020200633	1	33	-1.0	-47.20	301.22	-1.72	-48.92
O=C(CC1=NN(C2=CC=CC=C2)N=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200634	0	38	-1.0	-52.76	356.51	2.56	-50.20
O=C(CC1=NN(C2=CC=CC=C2)N=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200634	1	38	-1.0	-52.75	356.56	2.53	-50.22
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2C=CNC2=S)C=C1	REAL300020200635	0	37	-1.0	-57.01	360.70	4.81	-52.20
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2C=CNC2=S)C=C1	REAL300020200635	1	37	-1.0	-56.99	360.75	4.78	-52.21
CCCCCCCCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200636	0	49	-1.0	-43.81	414.81	6.00	-37.81
CCCCCCCCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200636	1	49	-1.0	-43.73	414.86	5.97	-37.76
COC(=O)C1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200637	0	35	-1.0	-49.35	332.98	2.73	-46.62
COC(=O)C1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200637	1	35	-1.0	-49.33	333.03	2.70	-46.63
CC(NC(=O)C1CCCC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200638	0	42	-1.0	-44.61	364.39	0.99	-43.62
CC(NC(=O)C1CCCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200638	1	42	-1.0	-44.59	364.44	0.96	-43.63
CC(C)(C)C1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200639	0	38	-1.0	-44.38	342.25	1.00	-43.38
CC(C)(C)C1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200639	1	38	-1.0	-44.32	342.30	0.97	-43.35
CC1=NN(C)C(C)=C1C1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200640	0	42	-1.0	-48.19	384.73	0.93	-47.26
CC1=NN(C)C(C)=C1C1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200640	1	42	-1.0	-48.15	384.78	0.90	-47.25
CC1=CC=C(C2=NNC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)O1	REAL300020200641	0	36	-1.0	-46.85	344.68	1.05	-45.80
CC1=CC=C(C2=NNC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)O1	REAL300020200641	1	36	-1.0	-46.76	344.73	1.02	-45.74
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NNC2=C1CCC2	REAL300020200642	0	33	-1.0	-48.38	306.59	0.37	-48.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NNC2=C1CCC2	REAL300020200642	1	33	-1.0	-48.31	306.64	0.34	-47.97
CC(F)(F)CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200643	0	31	-1.0	-44.10	296.94	1.44	-42.66
CC(F)(F)CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200643	1	31	-1.0	-44.05	296.99	1.41	-42.64
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(CC2=CC=CC=C2)C(=O)CC1	REAL300020200644	0	43	-1.0	-45.67	390.66	3.15	-42.52
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(CC2=CC=CC=C2)C(=O)CC1	REAL300020200644	1	43	-1.0	-45.64	390.71	3.13	-42.51
CC1=C2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=NC2=NN1	REAL300020200645	0	34	-1.0	-52.96	321.27	0.59	-52.37
CC1=C2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=NC2=NN1	REAL300020200645	1	34	-1.0	-52.96	321.32	0.56	-52.40
CC(C)(C)N1C=C(C(=O)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020200646	0	40	-1.0	-46.10	363.59	1.69	-44.41
CC(C)(C)N1C=C(C(=O)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020200646	1	40	-1.0	-46.12	363.64	1.66	-44.46
CN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2NC=NC2=NC=N1	REAL300020200647	0	38	-1.0	-53.11	344.38	1.57	-51.54
CN(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2NC=NC2=NC=N1	REAL300020200647	1	38	-1.0	-53.04	344.43	1.54	-51.50
O=C(COC1CCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200648	0	36	-1.0	-46.47	322.34	2.14	-44.33
O=C(COC1CCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200648	1	36	-1.0	-46.43	322.40	2.11	-44.32
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)N=C2C=CC=CN21	REAL300020200649	0	32	-1.0	-47.68	325.62	2.71	-44.97
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)N=C2C=CC=CN21	REAL300020200649	1	32	-1.0	-47.69	325.57	2.74	-44.95
O=C(CN1C=CC([N+](=O)[O-])=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200650	0	31	-1.0	-56.04	313.56	1.82	-54.22
O=C(CN1C=CC([N+](=O)[O-])=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200650	1	31	-1.0	-56.06	313.51	1.85	-54.21
O=C(CCCC1=CC=C(Cl)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200651	0	38	-1.0	-45.80	362.46	4.85	-40.95
O=C(CCCC1=CC=C(Cl)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200651	1	38	-1.0	-45.75	362.52	4.83	-40.92
O=C(CCOC1=CC=C(F)C=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200652	0	36	-1.0	-44.38	355.14	3.00	-41.38
O=C(CCOC1=CC=C(F)C=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200652	1	36	-1.0	-44.35	355.19	2.98	-41.37
O=C(CCOC1=CC(Cl)=CC=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200653	0	36	-1.0	-44.74	365.47	3.45	-41.29
O=C(CCOC1=CC(Cl)=CC=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200653	1	36	-1.0	-44.74	365.52	3.43	-41.31
CC(C)C(=O)NC1=NC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020200654	0	41	-1.0	-50.64	382.51	1.35	-49.29
CC(C)C(=O)NC1=NC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020200654	1	41	-1.0	-50.60	382.56	1.32	-49.28
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300020200655	0	42	-1.0	-49.66	384.35	3.53	-46.13
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300020200655	1	42	-1.0	-49.71	384.30	3.56	-46.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL300020200656	0	39	-1.0	-45.97	365.02	2.38	-43.59
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL300020200656	1	39	-1.0	-45.96	364.97	2.41	-43.55
CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C(C)(C)C	REAL300020200657	0	44	-1.0	-46.95	368.09	2.62	-44.33
CCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C(C)(C)C	REAL300020200657	1	44	-1.0	-46.95	368.14	2.59	-44.36
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)OC(Br)=C1	REAL300020200658	0	29	-1.0	-43.23	302.02	1.48	-41.75
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)OC(Br)=C1	REAL300020200658	1	29	-1.0	-43.18	302.07	1.45	-41.73
O=C(CCCN1C=NC2=CC=CC=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200659	0	41	-1.0	-52.96	373.08	5.13	-47.83
O=C(CCCN1C=NC2=CC=CC=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200659	1	41	-1.0	-52.93	373.13	5.10	-47.83
CCCCS(=O)(=O)N1CCCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200660	0	46	-1.0	-55.26	407.37	1.02	-54.24
CCCCS(=O)(=O)N1CCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200660	1	46	-1.0	-55.25	407.43	1.00	-54.25
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200661	0	43	-1.0	-53.37	382.27	4.99	-48.38
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200661	1	43	-1.0	-53.32	382.32	4.96	-48.36
O=C(COC1CCCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200662	0	39	-1.0	-46.38	339.31	2.74	-43.64
O=C(COC1CCCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200662	1	39	-1.0	-46.34	339.35	2.71	-43.63
CC(C)(C)N1N=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C1CC1	REAL300020200663	0	45	-1.0	-48.37	386.50	3.53	-44.84
CC(C)(C)N1N=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C1CC1	REAL300020200663	1	45	-1.0	-48.34	386.55	3.50	-44.84
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)C2=CC=CC=C2N1	REAL300020200664	0	33	-1.0	-45.57	326.63	2.52	-43.05
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)C2=CC=CC=C2N1	REAL300020200664	1	33	-1.0	-45.57	326.68	2.49	-43.08
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)C2=CC(F)=CC=C2N1	REAL300020200665	0	33	-1.0	-45.25	332.81	2.57	-42.68
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)C2=CC(F)=CC=C2N1	REAL300020200665	1	33	-1.0	-45.23	332.86	2.54	-42.69
O=C(CN1CCCS1(=O)=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200666	0	34	-1.0	-58.22	325.46	-2.45	-60.67
O=C(CN1CCCS1(=O)=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200666	1	34	-1.0	-58.23	325.51	-2.47	-60.70
CC(SCC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200667	0	39	-1.0	-46.11	365.71	4.67	-41.44
CC(SCC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200667	1	39	-1.0	-46.04	365.76	4.64	-41.40
CCCOC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200668	0	39	-1.0	-46.08	351.05	3.09	-42.99
CCCOC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200668	1	39	-1.0	-46.09	351.10	3.06	-43.03
O=C(CC1=CSC2=CC=CC=C12)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200669	0	35	-1.0	-47.11	339.19	4.10	-43.01
O=C(CC1=CSC2=CC=CC=C12)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200669	1	35	-1.0	-47.03	339.24	4.07	-42.96
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC([N+](=O)[O-])=C1	REAL300020200670	0	28	-1.0	-46.37	299.53	1.82	-44.55
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC([N+](=O)[O-])=C1	REAL300020200670	1	28	-1.0	-46.35	299.59	1.78	-44.57
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC(C(F)(F)F)C1	REAL300020200671	0	38	-1.0	-45.21	341.39	3.23	-41.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC(C(F)(F)F)C1	REAL300020200671	1	38	-1.0	-45.19	341.44	3.21	-41.98
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC=CC=C1	REAL300020200672	0	32	-1.0	-43.80	312.44	2.83	-40.97
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC=CC=C1	REAL300020200672	1	32	-1.0	-43.76	312.49	2.80	-40.96
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(C2=CC=CC=C2)=NO1	REAL300020200673	0	37	-1.0	-52.55	346.04	3.46	-49.09
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(C2=CC=CC=C2)=NO1	REAL300020200673	1	37	-1.0	-52.48	346.10	3.43	-49.05
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(C=CC=C2)C2=C1N=CC=C2	REAL300020200674	0	40	-1.0	-52.72	360.99	5.02	-47.70
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(C=CC=C2)C2=C1N=CC=C2	REAL300020200674	1	40	-1.0	-52.74	360.94	5.05	-47.69
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300020200675	0	36	-1.0	-46.18	355.97	3.71	-42.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300020200675	1	36	-1.0	-46.21	355.91	3.74	-42.47
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200676	0	48	-1.0	-46.30	409.49	5.85	-40.45
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200676	1	48	-1.0	-46.28	409.54	5.82	-40.46
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200677	0	48	-1.0	-46.93	404.56	5.56	-41.37
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200677	1	48	-1.0	-46.90	404.62	5.53	-41.37
CC1=CC(OC(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1C(C)C	REAL300020200678	0	48	-1.0	-46.93	406.83	5.68	-41.25
CC1=CC(OC(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1C(C)C	REAL300020200678	1	48	-1.0	-46.92	406.88	5.64	-41.28
CC(C)OC1=CC=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200679	0	43	-1.0	-45.91	381.93	4.12	-41.79
CC(C)OC1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200679	1	43	-1.0	-45.88	381.98	4.09	-41.79
CCCOC1=CC=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200680	0	43	-1.0	-45.43	385.52	4.29	-41.14
CCCOC1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200680	1	43	-1.0	-45.41	385.57	4.26	-41.15
O=C(CNC(=O)CC(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200681	0	32	-1.0	-48.77	319.21	-1.33	-50.10
O=C(CNC(=O)CC(F)(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200681	1	32	-1.0	-48.79	319.26	-1.35	-50.14
CC1=NN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1Cl	REAL300020200682	0	35	-1.0	-50.57	341.74	1.68	-48.89
CC1=NN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1Cl	REAL300020200682	1	35	-1.0	-50.55	341.79	1.65	-48.90
COCCN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CC1=O	REAL300020200683	0	39	-1.0	-47.76	357.42	0.87	-46.89
COCCN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CC1=O	REAL300020200683	1	39	-1.0	-47.70	357.48	0.84	-46.86
CC(C)C1=NN(C)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200684	0	38	-1.0	-47.27	342.82	1.73	-45.54
CC(C)C1=NN(C)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200684	1	38	-1.0	-47.22	342.87	1.70	-45.52
CC1=NC=NC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200685	0	30	-1.0	-43.74	284.65	0.73	-43.01
CC1=NC=NC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200685	1	30	-1.0	-43.70	284.70	0.70	-43.00
CCC1=NC=NC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200686	0	33	-1.0	-43.49	303.43	1.43	-42.06
CCC1=NC=NC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200686	1	33	-1.0	-43.50	303.50	1.40	-42.10
CC(C)C1=NC=NC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200687	0	36	-1.0	-43.51	328.89	2.00	-41.51
CC(C)C1=NC=NC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200687	1	36	-1.0	-43.47	328.94	1.97	-41.50
CC1=NN(C(C)(C)C)C(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200688	0	44	-1.0	-46.26	378.47	2.58	-43.68
CC1=NN(C(C)(C)C)C(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200688	1	44	-1.0	-46.27	378.53	2.55	-43.72
O=C(CCC1=CC=C(Cl)S1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200689	0	32	-1.0	-44.36	331.50	3.26	-41.10
O=C(CCC1=CC=C(Cl)S1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200689	1	32	-1.0	-44.33	331.56	3.23	-41.10
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1S(C)(=O)=O	REAL300020200690	0	38	-1.0	-53.96	350.33	0.21	-53.75
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1S(C)(=O)=O	REAL300020200690	1	38	-1.0	-53.94	350.39	0.18	-53.76
O=C(CNC(=O)CC1=CC=CC(F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200691	0	39	-1.0	-48.31	368.22	1.31	-47.00
O=C(CNC(=O)CC1=CC=CC(F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200691	1	39	-1.0	-48.23	368.27	1.28	-46.95
CC(C)C1=CC=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200692	0	44	-1.0	-44.19	384.46	5.48	-38.71
CC(C)C1=CC=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200692	1	44	-1.0	-44.16	384.51	5.45	-38.71
O=C(COC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200693	0	36	-1.0	-47.11	350.48	3.63	-43.48
O=C(COC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200693	1	36	-1.0	-47.05	350.54	3.61	-43.44
CCOC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020200694	0	35	-1.0	-44.52	327.23	-0.31	-44.83
CCOC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020200694	1	35	-1.0	-44.56	327.18	-0.29	-44.85
O=C(CCN1CCCS1(=O)=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200695	0	37	-1.0	-53.00	346.49	-1.92	-54.92
O=C(CCN1CCCS1(=O)=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200695	1	37	-1.0	-52.93	346.54	-1.95	-54.88
O=C(CC1=CSC(C2=NC=CC=N2)=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200696	0	36	-1.0	-55.43	358.21	1.05	-54.38
O=C(CC1=CSC(C2=NC=CC=N2)=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200696	1	36	-1.0	-55.38	358.27	1.02	-54.36
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC(C2=NC=CC=N2)=N1	REAL300020200697	0	36	-1.0	-49.88	353.95	0.95	-48.93
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC(C2=NC=CC=N2)=N1	REAL300020200697	1	36	-1.0	-49.85	354.01	0.92	-48.93
CC(SC1=NN=CN1C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200698	0	35	-1.0	-49.91	337.35	3.11	-46.80
CC(SC1=NN=CN1C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200698	1	35	-1.0	-49.95	337.30	3.14	-46.81
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200699	0	36	-1.0	-45.85	361.10	4.19	-41.66
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200699	1	36	-1.0	-45.79	361.15	4.16	-41.63
COC1=CC=C(COCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200700	0	40	-1.0	-49.72	366.82	2.43	-47.29
COC1=CC=C(COCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200700	1	40	-1.0	-49.67	366.87	2.40	-47.27
CN1C=C(C2=NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CS2)C=N1	REAL300020200701	0	35	-1.0	-51.56	350.20	0.61	-50.95
CN1C=C(C2=NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CS2)C=N1	REAL300020200701	1	35	-1.0	-51.62	350.14	0.63	-50.99
O=C(CN1C=C(Br)C=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200702	0	29	-1.0	-48.80	304.80	0.76	-48.04
O=C(CN1C=C(Br)C=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200702	1	29	-1.0	-48.83	304.75	0.79	-48.04
COC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC(C2=CC=CC=C2)=C1	REAL300020200703	0	40	-1.0	-49.54	376.11	5.11	-44.43
COC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC(C2=CC=CC=C2)=C1	REAL300020200703	1	40	-1.0	-49.52	376.16	5.08	-44.44
CC(NC(=O)C1=COC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200704	0	36	-1.0	-50.00	340.13	-0.63	-50.63
CC(NC(=O)C1=COC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200704	1	36	-1.0	-49.97	340.18	-0.66	-50.63
CCCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)NC(C)=C1C(C)=O	REAL300020200705	0	44	-1.0	-47.26	393.34	3.18	-44.08
CCCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)NC(C)=C1C(C)=O	REAL300020200705	1	44	-1.0	-47.23	393.39	3.16	-44.07
CC1=CC(C)=C(C(=O)CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1	REAL300020200706	0	49	-1.0	-51.04	428.85	6.07	-44.97
CC1=CC(C)=C(C(=O)CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1	REAL300020200706	1	49	-1.0	-51.07	428.91	6.04	-45.03
CC1=CC(C)=CC(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CCC2)=C1	REAL300020200707	0	45	-1.0	-44.93	388.71	5.62	-39.31
CC1=CC(C)=CC(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CCC2)=C1	REAL300020200707	1	45	-1.0	-44.88	388.77	5.59	-39.29
CCN1C(=O)NC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C2C1=O	REAL300020200708	0	41	-1.0	-46.86	374.13	1.59	-45.27
CCN1C(=O)NC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C2C1=O	REAL300020200708	1	41	-1.0	-46.75	374.18	1.56	-45.19
CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)(F)F)=N1	REAL300020200709	0	32	-1.0	-49.75	317.66	0.78	-48.97
CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C(F)(F)F)=N1	REAL300020200709	1	32	-1.0	-49.81	317.61	0.81	-49.00
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020200710	0	38	-1.0	-51.49	365.73	0.51	-50.98
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020200710	1	38	-1.0	-51.45	365.78	0.48	-50.97
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2NC(=O)C3=CC=CC=C3N2N=C1	REAL300020200711	0	38	-1.0	-49.94	356.43	1.90	-48.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2NC(=O)C3=CC=CC=C3N2N=C1	REAL300020200711	1	38	-1.0	-49.90	356.49	1.87	-48.03
CC1=NC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020200712	0	30	-1.0	-45.13	292.31	0.09	-45.04
CC1=NC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020200712	1	30	-1.0	-45.05	292.36	0.06	-44.99
CC1=NC2=CC=NN2C(C)=C1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200713	0	43	-1.0	-49.44	380.61	3.36	-46.08
CC1=NC2=CC=NN2C(C)=C1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200713	1	43	-1.0	-49.42	380.66	3.33	-46.09
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200714	0	38	-1.0	-50.85	358.73	3.81	-47.04
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200714	1	38	-1.0	-50.81	358.78	3.78	-47.03
CCOC1=CC=C2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)NC2=C1	REAL300020200715	0	40	-1.0	-46.06	363.23	2.21	-43.85
CCOC1=CC=C2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)NC2=C1	REAL300020200715	1	40	-1.0	-46.02	363.28	2.18	-43.84
CC1=CC(OC(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1Cl	REAL300020200716	0	39	-1.0	-46.00	363.83	4.35	-41.65
CC1=CC(OC(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1Cl	REAL300020200716	1	39	-1.0	-46.01	363.89	4.32	-41.69
CC1=CC(C)=CC(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CC2)=C1	REAL300020200717	0	42	-1.0	-44.31	372.04	5.09	-39.22
CC1=CC(C)=CC(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CC2)=C1	REAL300020200717	1	42	-1.0	-44.28	372.09	5.06	-39.22
CCC(=O)NC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200718	0	39	-1.0	-55.55	354.88	1.77	-53.78
CCC(=O)NC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200718	1	39	-1.0	-55.53	354.93	1.74	-53.79
CC(=O)NC1=C(C)C=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200719	0	39	-1.0	-49.33	351.36	2.39	-46.94
CC(=O)NC1=C(C)C=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200719	1	39	-1.0	-49.30	351.41	2.36	-46.94
O=C(CCCOCCC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200720	0	45	-1.0	-46.78	401.25	4.39	-42.39
O=C(CCCOCCC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200720	1	45	-1.0	-46.74	401.31	4.36	-42.38
CCC(=O)N1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020200721	0	42	-1.0	-51.72	359.93	1.90	-49.82
CCC(=O)N1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020200721	1	42	-1.0	-51.69	359.98	1.87	-49.82
CCCS(=O)(=O)N1CCCCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200722	0	46	-1.0	-45.92	391.59	1.20	-44.72
CCCS(=O)(=O)N1CCCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200722	1	46	-1.0	-45.83	391.64	1.18	-44.65
CCC(=O)N1CCCCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200723	0	42	-1.0	-50.89	355.23	3.06	-47.83
CCC(=O)N1CCCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200723	1	42	-1.0	-50.81	355.28	3.04	-47.77
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=C1OCO2	REAL300020200724	0	32	-1.0	-49.01	303.57	1.34	-47.67
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=C1OCO2	REAL300020200724	1	32	-1.0	-48.97	303.62	1.31	-47.66
CC1=CC=C(C(C)C)C(OC(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200725	0	48	-1.0	-46.90	409.22	5.86	-41.04
CC1=CC=C(C(C)C)C(OC(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200725	1	48	-1.0	-46.83	409.28	5.83	-41.00
CC1=CC=C(Cl)C(OC(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200726	0	39	-1.0	-48.38	366.65	4.43	-43.95
CC1=CC=C(Cl)C(OC(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200726	1	39	-1.0	-48.31	366.69	4.40	-43.91
CC(C)C1=CC(OC(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1	REAL300020200727	0	45	-1.0	-47.18	389.40	5.12	-42.06
CC(C)C1=CC(OC(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1	REAL300020200727	1	45	-1.0	-47.15	389.45	5.09	-42.06
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)N=CS1	REAL300020200728	0	25	-1.0	-45.85	279.37	-0.37	-46.22
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)N=CS1	REAL300020200728	1	25	-1.0	-45.87	279.32	-0.35	-46.22
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NC2=CC=CC=C12	REAL300020200729	0	37	-1.0	-48.27	339.60	3.05	-45.22
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NC2=CC=CC=C12	REAL300020200729	1	37	-1.0	-48.23	339.65	3.02	-45.21
N#CC1=CC=CC(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200730	0	34	-1.0	-50.42	332.59	3.02	-47.40
N#CC1=CC=CC(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200730	1	34	-1.0	-50.40	332.65	3.00	-47.40
COC1=CC=C2OC(C)=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C2=C1	REAL300020200731	0	39	-1.0	-47.25	360.98	2.40	-44.85
COC1=CC=C2OC(C)=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C2=C1	REAL300020200731	1	39	-1.0	-47.21	361.03	2.37	-44.84
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC(C2=CC=NC=C2)=C1	REAL300020200732	0	34	-1.0	-46.12	332.08	1.34	-44.78
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC(C2=CC=NC=C2)=C1	REAL300020200732	1	34	-1.0	-46.05	332.13	1.32	-44.73
CC(=O)NC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCCC1	REAL300020200733	0	42	-1.0	-47.86	353.57	1.21	-46.65
CC(=O)NC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCCC1	REAL300020200733	1	42	-1.0	-47.81	353.62	1.18	-46.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=CN=CO2)C=C1	REAL300020200734	0	35	-1.0	-47.73	332.55	0.43	-47.30
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=CN=CO2)C=C1	REAL300020200734	1	35	-1.0	-47.83	332.50	0.46	-47.37
CC1=NN2C=CC=NC2=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200735	0	34	-1.0	-53.70	326.37	1.48	-52.22
CC1=NN2C=CC=NC2=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200735	1	34	-1.0	-53.68	326.42	1.45	-52.23
CC(C)SC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200736	0	39	-1.0	-44.04	355.99	4.46	-39.58
CC(C)SC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200736	1	39	-1.0	-43.98	356.04	4.43	-39.55
O=C(CSCC1=CC=CC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200737	0	35	-1.0	-50.09	342.25	2.27	-47.82
O=C(CSCC1=CC=CC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200737	1	35	-1.0	-50.04	342.30	2.24	-47.80
O=C(CSCC1=CC=NC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200738	0	35	-1.0	-48.44	342.14	2.36	-46.08
O=C(CSCC1=CC=NC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200738	1	35	-1.0	-48.39	342.19	2.33	-46.06
CC1=NN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1Br	REAL300020200739	0	35	-1.0	-50.56	345.70	1.77	-48.79
CC1=NN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1Br	REAL300020200739	1	35	-1.0	-50.57	345.75	1.74	-48.83
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC(N2C=CN=C2)=C1	REAL300020200740	0	35	-1.0	-47.34	331.59	3.76	-43.58
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC(N2C=CN=C2)=C1	REAL300020200740	1	35	-1.0	-47.30	331.64	3.73	-43.57
O=C(CCSCC1=CC=CC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200741	0	38	-1.0	-46.93	363.92	3.07	-43.86
O=C(CCSCC1=CC=CC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200741	1	38	-1.0	-46.88	363.97	3.05	-43.83
NC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C(F)C=C1[N+](=O)[O-]	REAL300020200742	0	33	-1.0	-43.27	319.19	1.18	-42.09
NC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C(F)C=C1[N+](=O)[O-]	REAL300020200742	1	33	-1.0	-43.22	319.24	1.15	-42.07
COC1=CC=C(Cl)C=C1C=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200743	0	37	-1.0	-46.95	357.82	3.14	-43.81
COC1=CC=C(Cl)C=C1C=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200743	1	37	-1.0	-46.87	357.87	3.11	-43.76
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL300020200744	0	35	-1.0	-51.16	337.82	2.76	-48.40
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL300020200744	1	35	-1.0	-51.18	337.87	2.73	-48.45
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC2=C1CCCC2	REAL300020200745	0	35	-1.0	-46.46	318.71	2.04	-44.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC2=C1CCCC2	REAL300020200745	1	35	-1.0	-46.43	318.76	2.01	-44.42
COC1=CC=C(C(=O)CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200746	0	44	-1.0	-53.99	395.25	3.47	-50.52
COC1=CC=C(C(=O)CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200746	1	44	-1.0	-53.96	395.31	3.45	-50.51
CC(SC1=CC=CC=C1Cl)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200747	0	36	-1.0	-46.31	352.81	4.13	-42.18
CC(SC1=CC=CC=C1Cl)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200747	1	36	-1.0	-46.25	352.86	4.10	-42.15
CC1=NN2C(=C1C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)N=C(C)C=C2C	REAL300020200748	0	40	-1.0	-53.40	369.40	2.67	-50.73
CC1=NN2C(=C1C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)N=C(C)C=C2C	REAL300020200748	1	40	-1.0	-53.38	369.45	2.64	-50.74
COC1=CC=C(SC(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200749	0	40	-1.0	-45.56	374.61	3.21	-42.35
COC1=CC=C(SC(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200749	1	40	-1.0	-45.50	374.66	3.18	-42.32
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([N+](=O)[O-])N1	REAL300020200750	0	29	-1.0	-45.11	295.76	1.49	-43.62
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([N+](=O)[O-])N1	REAL300020200750	1	29	-1.0	-45.08	295.81	1.46	-43.62
O=C(CCCOC1=CC=C(Cl)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200751	0	39	-1.0	-46.71	370.93	3.66	-43.05
O=C(CCCOC1=CC=C(Cl)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200751	1	39	-1.0	-46.67	370.99	3.63	-43.04
O=C(CCOC1=CC=C(Cl)C=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200752	0	36	-1.0	-44.04	365.46	3.44	-40.60
O=C(CCOC1=CC=C(Cl)C=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200752	1	36	-1.0	-44.05	365.51	3.42	-40.63
CC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020200753	0	34	-1.0	-47.43	319.28	1.57	-45.86
CC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020200753	1	34	-1.0	-47.36	319.33	1.54	-45.82
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)N1	REAL300020200754	0	32	-1.0	-55.60	301.84	-0.13	-55.73
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)N1	REAL300020200754	1	32	-1.0	-55.58	301.89	-0.16	-55.74
O=C(CC1CCCC(C(F)(F)F)C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200755	0	41	-1.0	-44.24	353.03	3.69	-40.55
O=C(CC1CCCC(C(F)(F)F)C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200755	1	41	-1.0	-44.10	353.08	3.66	-40.44
CC(C)CC(=O)NC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)C	REAL300020200756	0	47	-1.0	-43.50	390.67	1.86	-41.64
CC(C)CC(=O)NC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)C	REAL300020200756	1	47	-1.0	-43.43	390.73	1.83	-41.60
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200757	0	44	-1.0	-52.65	396.27	4.51	-48.14
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200757	1	44	-1.0	-52.69	396.22	4.54	-48.15
O=C(CCC1=CC=CC=C1Br)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200758	0	35	-1.0	-45.78	340.44	3.99	-41.79
O=C(CCC1=CC=CC=C1Br)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200758	1	35	-1.0	-45.75	340.48	3.96	-41.79
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Br)C=C1Cl	REAL300020200759	0	29	-1.0	-43.36	312.02	3.18	-40.18
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Br)C=C1Cl	REAL300020200759	1	29	-1.0	-43.34	312.08	3.16	-40.18
CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)CC(C)(C)C	REAL300020200760	0	43	-1.0	-43.41	350.05	3.35	-40.06
CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)CC(C)(C)C	REAL300020200760	1	43	-1.0	-43.42	350.10	3.32	-40.10
CC1=CC(Br)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200761	0	32	-1.0	-42.51	315.56	3.36	-39.15
CC1=CC(Br)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200761	1	32	-1.0	-42.47	315.62	3.33	-39.14
CN1N=C(C(C)(C)C)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200762	0	41	-1.0	-44.13	360.73	2.24	-41.89
CN1N=C(C(C)(C)C)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200762	1	41	-1.0	-44.19	360.68	2.27	-41.92
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200763	0	38	-1.0	-46.95	377.65	5.30	-41.65
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200763	1	38	-1.0	-46.87	377.70	5.27	-41.60
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C=C(Br)C=N1	REAL300020200764	0	32	-1.0	-45.79	323.31	1.24	-44.55
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C=C(Br)C=N1	REAL300020200764	1	32	-1.0	-45.78	323.26	1.27	-44.51
CC(C)NC(=O)NC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200765	0	44	-1.0	-51.68	391.43	1.24	-50.44
CC(C)NC(=O)NC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200765	1	44	-1.0	-51.61	391.49	1.21	-50.40
CC1=NC2=CC(F)=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2N=C1C	REAL300020200766	0	39	-1.0	-49.61	357.44	2.10	-47.51
CC1=NC2=CC(F)=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2N=C1C	REAL300020200766	1	39	-1.0	-49.53	357.49	2.08	-47.45
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200767	0	41	-1.0	-55.07	379.11	3.16	-51.91
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200767	1	41	-1.0	-55.04	379.16	3.13	-51.91
CC(=O)NC1=CC(F)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200768	0	36	-1.0	-45.95	335.00	1.48	-44.47
CC(=O)NC1=CC(F)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200768	1	36	-1.0	-45.91	335.05	1.45	-44.46
COC1=CC=CC(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200769	0	37	-1.0	-49.92	341.24	1.93	-47.99
COC1=CC=CC(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200769	1	37	-1.0	-49.92	341.30	1.90	-48.02
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC(C(=O)N2CCCC2)=C1	REAL300020200770	0	41	-1.0	-54.58	364.36	1.43	-53.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC(C(=O)N2CCCC2)=C1	REAL300020200770	1	41	-1.0	-54.55	364.41	1.40	-53.15
O=C(NC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1)C1=CC=CO1	REAL300020200771	0	40	-1.0	-55.25	374.22	2.10	-53.15
O=C(NC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1)C1=CC=CO1	REAL300020200771	1	40	-1.0	-55.19	374.27	2.07	-53.12
O=C(CCC(=O)C1=CC=C(F)C=C1F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200772	0	37	-1.0	-48.10	355.41	3.52	-44.58
O=C(CCC(=O)C1=CC=C(F)C=C1F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200772	1	37	-1.0	-48.09	355.46	3.49	-44.60
CC1=NN2C(=C1)N=C(C)C=C2C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200773	0	37	-1.0	-48.25	342.11	2.45	-45.80
CC1=NN2C(=C1)N=C(C)C=C2C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200773	1	37	-1.0	-48.18	342.16	2.42	-45.76
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C=C(Cl)C=N1	REAL300020200774	0	32	-1.0	-45.88	318.68	1.13	-44.75
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C=C(Cl)C=N1	REAL300020200774	1	32	-1.0	-45.92	318.63	1.16	-44.76
CC(C)SC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200775	0	39	-1.0	-46.50	351.66	4.44	-42.06
CC(C)SC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200775	1	39	-1.0	-46.50	351.71	4.42	-42.08
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2N=CNC2=CC(F)=C1	REAL300020200776	0	32	-1.0	-52.64	309.79	1.94	-50.70
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2N=CNC2=CC(F)=C1	REAL300020200776	1	32	-1.0	-52.60	309.84	1.91	-50.69
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2NC=NC2=CC(F)=C1	REAL300020200776	1	32	-1.0	-46.30	308.32	1.93	-44.37
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2NC=NC2=CC(F)=C1	REAL300020200776	1	32	-1.0	-46.24	308.37	1.90	-44.34
CCC1=NOC(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020200777	0	39	-1.0	-50.36	358.79	0.54	-49.82
CCC1=NOC(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020200777	1	39	-1.0	-50.33	358.84	0.51	-49.82
CCCC1=NOC(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020200778	0	42	-1.0	-50.09	380.29	1.31	-48.78
CCCC1=NOC(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020200778	1	42	-1.0	-50.08	380.34	1.28	-48.80
CCCCC1=CC=C(C(=O)CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200779	0	49	-1.0	-46.03	430.34	6.38	-39.65
CCCCC1=CC=C(C(=O)CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200779	1	49	-1.0	-45.97	430.39	6.35	-39.62
CCCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)NC(C)=C1C(=O)OC	REAL300020200780	0	45	-1.0	-47.41	404.04	3.31	-44.10
CCCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)NC(C)=C1C(=O)OC	REAL300020200780	1	45	-1.0	-47.37	404.09	3.29	-44.08
CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)NC(C)=C1C(C)=O	REAL300020200781	0	41	-1.0	-47.33	371.80	2.40	-44.93
CCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)NC(C)=C1C(C)=O	REAL300020200781	1	41	-1.0	-47.27	371.85	2.37	-44.90
CN(C)C1=NC2=C(C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)S2)S1	REAL300020200782	0	36	-1.0	-47.55	358.98	2.40	-45.15
CN(C)C1=NC2=C(C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)S2)S1	REAL300020200782	1	36	-1.0	-47.57	358.93	2.43	-45.14
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=NN1C1=CC(C)=CC=C1	REAL300020200783	0	41	-1.0	-48.70	373.50	2.90	-45.80
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=NN1C1=CC(C)=CC=C1	REAL300020200783	1	41	-1.0	-48.71	373.55	2.87	-45.84
O=C(CCN1C=C(Br)C=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200784	0	32	-1.0	-45.66	326.97	1.31	-44.35
O=C(CCN1C=C(Br)C=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200784	1	32	-1.0	-45.73	326.92	1.33	-44.40
NC(=O)C1=CN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C12	REAL300020200785	0	40	-1.0	-58.13	371.48	0.93	-57.20
NC(=O)C1=CN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C12	REAL300020200785	1	40	-1.0	-58.08	371.54	0.90	-57.18
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020200786	0	31	-1.0	-45.96	310.93	2.81	-43.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020200786	1	31	-1.0	-45.95	310.98	2.78	-43.17
CC(C)(C)NS(=O)(=O)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200787	0	39	-1.0	-53.20	346.75	-2.51	-55.71
CC(C)(C)NS(=O)(=O)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200787	1	39	-1.0	-53.19	346.80	-2.54	-55.73
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C2NC=CC=C12	REAL300020200788	0	32	-1.0	-56.84	303.14	1.42	-55.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C2NC=CC=C12	REAL300020200788	1	32	-1.0	-56.76	303.20	1.39	-55.37
CC1=CC=CC(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CCCCC2)=C1	REAL300020200789	0	48	-1.0	-43.61	392.15	6.01	-37.60
CC1=CC=CC(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CCCCC2)=C1	REAL300020200789	1	48	-1.0	-43.56	392.21	5.98	-37.58
O=C(CCCS(=O)(=O)N1CCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200790	0	43	-1.0	-54.60	388.53	-0.26	-54.86
O=C(CCCS(=O)(=O)N1CCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200790	1	43	-1.0	-54.56	388.59	-0.29	-54.85
CC(C(=O)N(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C=CC=N1	REAL300020200791	0	42	-1.0	-52.31	373.98	1.03	-51.28
CC(C(=O)N(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C=CC=N1	REAL300020200791	1	42	-1.0	-52.34	373.92	1.07	-51.27
O=C(C=C(C1CC1)C1CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200792	0	37	-1.0	-43.44	323.81	3.68	-39.76
O=C(C=C(C1CC1)C1CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200792	1	37	-1.0	-43.41	323.87	3.65	-39.76
O=C(CCN1C=C(Cl)C=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200793	0	32	-1.0	-45.73	322.35	1.20	-44.53
O=C(CCN1C=C(Cl)C=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200793	1	32	-1.0	-45.77	322.30	1.23	-44.54
CC1=CC=C(C)N1C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC=C1	REAL300020200794	0	40	-1.0	-47.55	376.92	5.42	-42.13
CC1=CC=C(C)N1C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=C1	REAL300020200794	1	40	-1.0	-47.51	376.98	5.39	-42.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC(C2=CC=CC=C2)C1	REAL300020200795	0	37	-1.0	-44.85	346.70	2.39	-42.46
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC(C2=CC=CC=C2)C1	REAL300020200795	1	37	-1.0	-44.78	346.75	2.36	-42.42
CCC(=O)NC(CCSC)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200796	0	42	-1.0	-46.05	379.76	0.95	-45.10
CCC(=O)NC(CCSC)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200796	1	42	-1.0	-45.95	379.80	0.93	-45.02
N#CC1=C(N)N(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)N=C1	REAL300020200797	0	39	-1.0	-47.80	370.09	2.63	-45.17
N#CC1=C(N)N(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)N=C1	REAL300020200797	1	39	-1.0	-47.88	370.03	2.65	-45.23
O=C(CC1=CC=C(F)C(Br)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200798	0	32	-1.0	-47.19	329.84	3.40	-43.79
O=C(CC1=CC=C(F)C(Br)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200798	1	32	-1.0	-47.11	329.90	3.37	-43.74
CC(C)OC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1Cl	REAL300020200799	0	38	-1.0	-43.87	363.42	1.15	-42.72
CC(C)OC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1Cl	REAL300020200799	1	38	-1.0	-43.89	363.37	1.18	-42.71
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)C=C1	REAL300020200800	0	38	-1.0	-44.44	350.20	4.17	-40.27
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C=C1	REAL300020200800	1	38	-1.0	-44.40	350.25	4.15	-40.25
CC(=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020200801	0	36	-1.0	-43.90	332.64	4.06	-39.84
CC(=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020200801	1	36	-1.0	-43.90	332.69	4.03	-39.87
O=C(CCC1=CC2=CC=CC=C2C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200802	0	41	-1.0	-45.77	370.35	5.81	-39.96
O=C(CCC1=CC2=CC=CC=C2C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200802	1	41	-1.0	-45.72	370.40	5.78	-39.94
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=CC2=C1NC(=S)N2	REAL300020200803	0	33	-1.0	-50.06	330.26	1.96	-48.10
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=CC2=C1NC(=S)N2	REAL300020200803	1	33	-1.0	-50.02	330.31	1.94	-48.08
CC(=O)N1CCCCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200804	0	39	-1.0	-51.21	332.56	2.34	-48.87
CC(=O)N1CCCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200804	1	39	-1.0	-51.18	332.62	2.31	-48.87
O=C(CNC(=O)NC1CCCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200805	0	44	-1.0	-47.20	380.09	-0.36	-47.56
O=C(CNC(=O)NC1CCCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200805	1	44	-1.0	-47.14	380.14	-0.39	-47.53
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=CC2=CC=CC=C21	REAL300020200806	0	34	-1.0	-48.01	314.98	2.53	-45.48
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=CC2=CC=CC=C21	REAL300020200806	1	34	-1.0	-48.01	314.93	2.55	-45.46
CC1=CN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020200807	0	32	-1.0	-49.74	304.98	0.82	-48.92
CC1=CN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020200807	1	32	-1.0	-49.76	304.93	0.85	-48.91
CC(C)S(=O)(=O)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200808	0	34	-1.0	-57.12	323.05	-1.74	-58.86
CC(C)S(=O)(=O)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200808	1	34	-1.0	-57.10	323.11	-1.76	-58.86
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300020200809	0	36	-1.0	-46.37	355.97	3.71	-42.66
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300020200809	1	36	-1.0	-46.37	355.91	3.74	-42.63
CCCC(C)N1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1=O	REAL300020200810	0	45	-1.0	-46.59	384.68	3.05	-43.54
CCCC(C)N1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1=O	REAL300020200810	1	45	-1.0	-46.57	384.72	3.02	-43.55
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=CC2=CC=CN=C21	REAL300020200811	0	34	-1.0	-50.43	334.05	3.35	-47.08
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=CC2=CC=CN=C21	REAL300020200811	1	34	-1.0	-50.48	333.99	3.38	-47.10
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=NN1C1=CC=C(C)C=C1	REAL300020200812	0	41	-1.0	-48.36	373.49	2.91	-45.45
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=NN1C1=CC=C(C)C=C1	REAL300020200812	1	41	-1.0	-48.35	373.54	2.89	-45.46
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=NN1C1=CC=CC=C1	REAL300020200813	0	38	-1.0	-48.85	352.09	2.23	-46.62
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=NN1C1=CC=CC=C1	REAL300020200813	1	38	-1.0	-48.81	352.14	2.20	-46.61
CC(C)C(=O)N1CCCCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200814	0	45	-1.0	-54.92	370.81	3.44	-51.48
CC(C)C(=O)N1CCCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200814	1	45	-1.0	-54.88	370.86	3.41	-51.47
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN=C1SC1CCCC1	REAL300020200815	0	42	-1.0	-46.58	374.24	4.54	-42.04
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN=C1SC1CCCC1	REAL300020200815	1	42	-1.0	-46.59	374.19	4.57	-42.02
CCCC(=O)N1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020200816	0	45	-1.0	-52.34	381.07	2.66	-49.68
CCCC(=O)N1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020200816	1	45	-1.0	-52.32	381.12	2.63	-49.69
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC=C1C1=CC=C(Cl)S1	REAL300020200817	0	34	-1.0	-49.54	349.55	3.32	-46.22
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC=C1C1=CC=C(Cl)S1	REAL300020200817	1	34	-1.0	-49.49	349.60	3.29	-46.20
CC1=NN(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200818	0	32	-1.0	-44.40	300.62	0.40	-44.00
CC1=NN(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200818	1	32	-1.0	-44.36	300.67	0.37	-43.99
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=CC2=NC=CN=C12	REAL300020200819	0	33	-1.0	-49.05	318.70	0.98	-48.07
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=CC2=NC=CN=C12	REAL300020200819	1	33	-1.0	-49.12	318.64	1.00	-48.12
CCOC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200820	0	36	-1.0	-46.51	329.55	2.29	-44.22
CCOC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200820	1	36	-1.0	-46.48	329.60	2.26	-44.22
CN1C=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020200821	0	35	-1.0	-47.20	327.10	1.31	-45.89
CN1C=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020200821	1	35	-1.0	-47.24	327.05	1.34	-45.90
CC1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1Br	REAL300020200822	0	29	-1.0	-44.07	300.63	-0.27	-44.34
CC1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1Br	REAL300020200822	1	29	-1.0	-44.04	300.68	-0.29	-44.33
O=C(NC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1)NC1CC1	REAL300020200823	0	42	-1.0	-55.92	381.04	1.30	-54.62
O=C(NC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1)NC1CC1	REAL300020200823	1	42	-1.0	-55.89	381.10	1.27	-54.62
CCS(=O)(=O)N1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020200824	0	43	-1.0	-48.65	379.75	-0.38	-49.03
CCS(=O)(=O)N1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020200824	1	43	-1.0	-48.62	379.80	-0.41	-49.03
CN(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC2=CC=CC=C2S1	REAL300020200825	0	39	-1.0	-53.21	370.09	3.79	-49.42
CN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC2=CC=CC=C2S1	REAL300020200825	1	39	-1.0	-53.22	370.04	3.82	-49.40
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1N1CCNC1=O	REAL300020200826	0	42	-1.0	-54.01	376.99	1.97	-52.04
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1N1CCNC1=O	REAL300020200826	1	42	-1.0	-53.99	377.05	1.94	-52.05
O=C(CC1=CC2=CC=CC=C2O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200827	0	35	-1.0	-49.40	330.72	3.28	-46.12
O=C(CC1=CC2=CC=CC=C2O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200827	1	35	-1.0	-49.37	330.77	3.25	-46.12
O=C(CSC1=NN=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200828	0	28	-1.0	-46.92	304.59	-0.52	-47.44
O=C(CSC1=NN=CS1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200828	1	28	-1.0	-46.93	304.53	-0.49	-47.42
O=C(C=CC1=CC2=CC=CN=C2C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200829	0	38	-1.0	-48.63	353.90	3.62	-45.01
O=C(C=CC1=CC2=CC=CN=C2C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200829	1	38	-1.0	-48.64	353.95	3.59	-45.05
CCC1=NOC2=NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C12	REAL300020200830	0	36	-1.0	-46.23	338.13	0.25	-45.98
CCC1=NOC2=NC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C12	REAL300020200830	1	36	-1.0	-46.20	338.18	0.22	-45.98
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC2=CC=C(F)C=C12	REAL300020200831	0	35	-1.0	-43.80	338.33	4.15	-39.65
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC2=CC=C(F)C=C12	REAL300020200831	1	35	-1.0	-43.77	338.38	4.12	-39.65
CC(C)(C)CC(=O)NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200832	0	41	-1.0	-45.13	354.99	0.13	-45.00
CC(C)(C)CC(=O)NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200832	1	41	-1.0	-45.09	355.04	0.11	-44.98
O=C(CSCC1=CC=CN=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200833	0	35	-1.0	-49.03	342.15	2.30	-46.73
O=C(CSCC1=CC=CN=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200833	1	35	-1.0	-49.07	342.10	2.33	-46.74
O=C(CC1=CC=C2OCOC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200834	0	35	-1.0	-49.79	328.90	1.41	-48.38
O=C(CC1=CC=C2OCOC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200834	1	35	-1.0	-49.74	328.96	1.38	-48.36
CC(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC=C1	REAL300020200835	0	35	-1.0	-44.05	326.98	3.02	-41.03
CC(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=C1	REAL300020200835	1	35	-1.0	-44.00	327.03	2.99	-41.01
COC1=CC=CC(C(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200836	0	39	-1.0	-45.70	348.26	2.58	-43.12
COC1=CC=CC(C(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200836	1	39	-1.0	-45.69	348.31	2.55	-43.14
CCSCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200837	0	39	-1.0	-45.86	365.80	4.84	-41.02
CCSCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200837	1	39	-1.0	-45.80	365.85	4.81	-40.99
COC(=O)COC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200838	0	39	-1.0	-52.89	364.05	2.99	-49.90
COC(=O)COC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200838	1	39	-1.0	-52.87	364.10	2.96	-49.91
COC(=O)COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200839	0	39	-1.0	-49.66	363.98	2.99	-46.67
COC(=O)COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200839	1	39	-1.0	-49.70	364.03	2.97	-46.73
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(C=CS2)S1	REAL300020200840	0	29	-1.0	-44.55	307.49	2.55	-42.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(C=CS2)S1	REAL300020200840	1	29	-1.0	-44.48	307.54	2.52	-41.96
COC1=CC=C2C(CC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC(=O)OC2=C1	REAL300020200841	0	41	-1.0	-55.45	376.98	3.44	-52.01
COC1=CC=C2C(CC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC(=O)OC2=C1	REAL300020200841	1	41	-1.0	-55.43	377.03	3.41	-52.02
CC1=NN(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1[N+](=O)[O-]	REAL300020200842	0	34	-1.0	-44.06	336.34	1.03	-43.03
CC1=NN(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1[N+](=O)[O-]	REAL300020200842	1	34	-1.0	-43.99	336.39	1.01	-42.98
CSC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C2C=CC=CN12	REAL300020200843	0	36	-1.0	-50.99	349.27	3.56	-47.43
CSC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C2C=CC=CN12	REAL300020200843	1	36	-1.0	-51.04	349.22	3.59	-47.45
O=C(CCNC(=O)OCC(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200844	0	36	-1.0	-49.17	355.90	-1.14	-50.31
O=C(CCNC(=O)OCC(F)(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200844	1	36	-1.0	-49.07	355.96	-1.17	-50.24
O=C(CCCOC1=CC=CC=C1F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200845	0	39	-1.0	-50.52	360.43	3.21	-47.31
O=C(CCCOC1=CC=CC=C1F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200845	1	39	-1.0	-50.46	360.48	3.19	-47.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(NC2CC2)N=C1	REAL300020200846	0	37	-1.0	-45.82	338.83	1.55	-44.27
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(NC2CC2)N=C1	REAL300020200846	1	37	-1.0	-45.88	338.77	1.58	-44.30
CN1N=NN=C1SCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200847	0	34	-1.0	-52.01	337.78	0.11	-51.90
CN1N=NN=C1SCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200847	1	34	-1.0	-52.05	337.73	0.14	-51.91
CCCCSC(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200848	0	38	-1.0	-45.62	348.90	3.21	-42.41
CCCCSC(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200848	1	38	-1.0	-45.58	348.95	3.18	-42.40
O=C(CCOCC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200849	0	39	-1.0	-45.10	358.26	2.85	-42.25
O=C(CCOCC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200849	1	39	-1.0	-45.08	358.31	2.82	-42.26
CC(=O)NCC(=O)NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200850	0	36	-1.0	-48.78	340.47	-4.07	-52.85
CC(=O)NCC(=O)NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200850	1	36	-1.0	-48.71	340.52	-4.10	-52.81
CCNC(=O)NC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020200851	0	44	-1.0	-49.20	375.62	-0.58	-49.78
CCNC(=O)NC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020200851	1	44	-1.0	-49.15	375.68	-0.61	-49.76
CC(C)C(OC1=CC=CC=C1C#N)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200852	0	43	-1.0	-53.01	383.00	4.72	-48.29
CC(C)C(OC1=CC=CC=C1C#N)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200852	1	43	-1.0	-52.97	383.06	4.69	-48.28
CC(SC1=NN=NN1C1CC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200853	0	38	-1.0	-47.29	364.75	1.62	-45.67
CC(SC1=NN=NN1C1CC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200853	1	38	-1.0	-47.29	364.70	1.65	-45.64
CCCOC1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200854	0	39	-1.0	-46.82	365.61	4.85	-41.97
CCCOC1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200854	1	39	-1.0	-46.76	365.66	4.82	-41.94
C=CC(=O)NCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200855	0	40	-1.0	-48.18	372.55	1.61	-46.57
C=CC(=O)NCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200855	1	40	-1.0	-48.14	372.60	1.58	-46.56
O=C(CN1C=CC2=CC=CC=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200856	0	36	-1.0	-49.75	336.00	4.21	-45.54
O=C(CN1C=CC2=CC=CC=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200856	1	36	-1.0	-49.71	336.05	4.19	-45.52
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC(OCC2=CC=CC=C2)=C1	REAL300020200857	0	42	-1.0	-46.57	387.41	2.75	-43.82
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC(OCC2=CC=CC=C2)=C1	REAL300020200857	1	42	-1.0	-46.59	387.36	2.78	-43.81
O=C(CCCOC1=CC=CC(F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200858	0	39	-1.0	-48.29	360.62	3.21	-45.08
O=C(CCCOC1=CC=CC(F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200858	1	39	-1.0	-48.21	360.67	3.18	-45.03
CCN1C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC2=CC=CC=C21	REAL300020200859	0	39	-1.0	-45.30	351.09	4.47	-40.83
CCN1C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC2=CC=CC=C21	REAL300020200859	1	39	-1.0	-45.29	351.15	4.44	-40.85
CC(NC(=O)C1CCCCC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200860	0	45	-1.0	-46.29	382.53	1.65	-44.64
CC(NC(=O)C1CCCCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200860	1	45	-1.0	-46.24	382.58	1.62	-44.62
CC1=CC=C2OC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=C1	REAL300020200861	0	35	-1.0	-45.67	330.82	3.13	-42.54
CC1=CC=C2OC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=C1	REAL300020200861	1	35	-1.0	-45.61	330.87	3.10	-42.51
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCCN1C(=O)C1=CC=CO1	REAL300020200862	0	43	-1.0	-51.86	371.18	3.45	-48.41
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCCN1C(=O)C1=CC=CO1	REAL300020200862	1	43	-1.0	-51.84	371.23	3.43	-48.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN1CC1=CC=CS1	REAL300020200863	0	37	-1.0	-47.32	352.70	4.48	-42.84
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN1CC1=CC=CS1	REAL300020200863	1	37	-1.0	-47.28	352.75	4.45	-42.83
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC(Cl)=C2)C=C1	REAL300020200864	0	36	-1.0	-46.81	356.37	3.70	-43.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC(Cl)=C2)C=C1	REAL300020200864	1	36	-1.0	-46.85	356.32	3.73	-43.12
CC1=CN(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020200865	0	35	-1.0	-46.75	327.16	1.37	-45.38
CC1=CN(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020200865	1	35	-1.0	-46.77	327.11	1.40	-45.37
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C(C2=CC=CC=C2F)S1	REAL300020200916	0	35	-1.0	-47.69	349.55	3.20	-44.49
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C(C2=CC=CC=C2F)S1	REAL300020200916	1	35	-1.0	-47.76	349.49	3.23	-44.53
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN=C1SC(F)(F)F	REAL300020200917	0	32	-1.0	-46.46	328.81	2.28	-44.18
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN=C1SC(F)(F)F	REAL300020200917	1	32	-1.0	-46.50	328.76	2.31	-44.19
CC(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C(C2=CC=CC=C2)O1	REAL300020200918	0	44	-1.0	-46.51	397.91	2.71	-43.80
CC(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C(C2=CC=CC=C2)O1	REAL300020200918	1	44	-1.0	-46.55	397.86	2.74	-43.81
CCCCCCCCCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200919	0	52	-1.0	-43.73	436.31	6.78	-36.95
CCCCCCCCCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200919	1	52	-1.0	-43.73	436.36	6.75	-36.98
NC(=O)C1=CSC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200920	0	30	-1.0	-51.98	306.16	-2.18	-54.16
NC(=O)C1=CSC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200920	1	30	-1.0	-51.93	306.21	-2.21	-54.14
COCCOC1=NC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200921	0	39	-1.0	-51.12	358.77	0.17	-50.95
COCCOC1=NC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200921	1	39	-1.0	-51.18	358.71	0.20	-50.98
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCN(C2=CC=C(F)C=C2)C1=O	REAL300020200922	0	40	-1.0	-48.54	362.05	3.22	-45.32
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCN(C2=CC=C(F)C=C2)C1=O	REAL300020200922	1	40	-1.0	-48.53	362.11	3.19	-45.34
CC1=CC(N2CCC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C2=O)=CC(C)=C1	REAL300020200923	0	46	-1.0	-56.23	398.93	4.48	-51.75
CC1=CC(N2CCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C2=O)=CC(C)=C1	REAL300020200923	1	46	-1.0	-56.19	398.99	4.44	-51.75
CCN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020200924	0	40	-1.0	-46.70	355.45	3.90	-42.80
CCN(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020200924	1	40	-1.0	-46.66	355.51	3.88	-42.78
CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2=CC=CN=C2)=N1	REAL300020200925	0	38	-1.0	-50.78	351.92	1.53	-49.25
CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2=CC=CN=C2)=N1	REAL300020200925	1	38	-1.0	-50.84	351.87	1.56	-49.28
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1CCC#N	REAL300020200926	0	36	-1.0	-49.43	341.45	1.65	-47.78
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1CCC#N	REAL300020200926	1	36	-1.0	-49.43	341.50	1.63	-47.80
O=C(CCCC[NH+]1CCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200927	0	44	0.0	-66.14	369.74	3.80	-62.34
O=C(CCCC[NH+]1CCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200927	1	44	0.0	-66.12	369.79	3.77	-62.35
CS(=O)(=O)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200928	0	28	-1.0	-58.64	284.35	-3.24	-61.88
CS(=O)(=O)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200928	1	28	-1.0	-58.60	284.40	-3.27	-61.87
CCS(=O)(=O)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200929	0	31	-1.0	-58.10	305.82	-2.35	-60.45
CCS(=O)(=O)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200929	1	31	-1.0	-58.05	305.87	-2.38	-60.43
O=C(CCN1CCOC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200930	0	34	-1.0	-55.31	319.13	-0.14	-55.45
O=C(CCN1CCOC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200930	1	34	-1.0	-55.26	319.18	-0.17	-55.43
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=C1CCC2	REAL300020200931	0	36	-1.0	-45.30	320.70	3.94	-41.36
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=C1CCC2	REAL300020200931	1	36	-1.0	-45.25	320.75	3.91	-41.34
CCOC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020200932	0	39	-1.0	-46.52	357.01	3.83	-42.69
CCOC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020200932	1	39	-1.0	-46.50	357.07	3.80	-42.70
O=C(CNC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200933	0	36	-1.0	-53.29	338.64	1.92	-51.37
O=C(CNC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200933	1	36	-1.0	-53.24	338.69	1.89	-51.35
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2NC(=O)OC2=C1	REAL300020200934	0	32	-1.0	-48.73	309.91	-0.43	-49.16
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2NC(=O)OC2=C1	REAL300020200934	1	32	-1.0	-48.73	309.96	-0.46	-49.19
CC(C)OC1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200935	0	39	-1.0	-46.96	362.03	4.67	-42.29
CC(C)OC1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200935	1	39	-1.0	-46.96	362.08	4.64	-42.32
CCC1=NC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020200936	0	34	-1.0	-47.82	329.76	1.36	-46.46
CCC1=NC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020200936	1	34	-1.0	-47.79	329.81	1.33	-46.46
CC(=O)NC1=CC=C(F)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200937	0	36	-1.0	-53.11	339.16	1.03	-52.08
CC(=O)NC1=CC=C(F)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200937	1	36	-1.0	-53.09	339.21	1.00	-52.09
CC(=O)NC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1F	REAL300020200938	0	36	-1.0	-50.96	340.19	1.08	-49.88
CC(=O)NC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1F	REAL300020200938	1	36	-1.0	-50.93	340.25	1.06	-49.87
CC1=NOC(Cl)=C1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200939	0	34	-1.0	-44.30	336.99	2.14	-42.16
CC1=NOC(Cl)=C1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200939	1	34	-1.0	-44.26	337.05	2.11	-42.15
COCCOC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200940	0	40	-1.0	-51.30	361.02	2.78	-48.52
COCCOC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200940	1	40	-1.0	-51.25	361.07	2.75	-48.50
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(OCC2CCCCC2)C=C1	REAL300020200941	0	49	-1.0	-44.06	412.70	5.69	-38.37
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(OCC2CCCCC2)C=C1	REAL300020200941	1	49	-1.0	-44.04	412.75	5.66	-38.38
COCCOC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200942	0	40	-1.0	-49.11	363.17	1.56	-47.55
COCCOC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200942	1	40	-1.0	-49.07	363.22	1.53	-47.54
CCSC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=N1	REAL300020200943	0	35	-1.0	-44.94	338.41	2.30	-42.64
CCSC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=N1	REAL300020200943	1	35	-1.0	-44.96	338.36	2.33	-42.63
O=C(CCNC(=O)C1=CC=C(F)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200944	0	39	-1.0	-52.23	365.71	1.26	-50.97
O=C(CCNC(=O)C1=CC=C(F)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200944	1	39	-1.0	-52.18	365.76	1.23	-50.95
CC1=CC=C(C)N1C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C	REAL300020200945	0	43	-1.0	-47.62	390.71	4.60	-43.02
CC1=CC=C(C)N1C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C	REAL300020200945	1	43	-1.0	-47.65	390.65	4.62	-43.03
CCOC1=CC=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020200946	0	42	-1.0	-45.33	375.60	3.78	-41.55
CCOC1=CC=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020200946	1	42	-1.0	-45.34	375.65	3.75	-41.59
CC1=CC=CC(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CC2)=C1	REAL300020200947	0	39	-1.0	-44.39	350.64	4.43	-39.96
CC1=CC=CC(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CC2)=C1	REAL300020200947	1	39	-1.0	-44.38	350.69	4.40	-39.98
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)OC2=C(C)C=CC=C12	REAL300020200948	0	38	-1.0	-46.41	348.63	3.80	-42.61
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)OC2=C(C)C=CC=C12	REAL300020200948	1	38	-1.0	-46.39	348.68	3.77	-42.62
O=C(CN1C=CC2=CC=C(Cl)C=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200949	0	36	-1.0	-50.06	352.71	4.72	-45.34
O=C(CN1C=CC2=CC=C(Cl)C=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200949	1	36	-1.0	-50.05	352.76	4.69	-45.36
O=C(CCC1=CC(F)=CC=C1F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200950	0	35	-1.0	-44.61	336.10	3.65	-40.96
O=C(CCC1=CC(F)=CC=C1F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200950	1	35	-1.0	-44.57	336.15	3.62	-40.95
CC1=C(C)N(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)S1	REAL300020200951	0	35	-1.0	-48.86	334.87	1.49	-47.37
CC1=C(C)N(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)S1	REAL300020200951	1	35	-1.0	-48.84	334.92	1.46	-47.38
O=C(CCCNC(=O)C1=CC=C(F)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200952	0	42	-1.0	-49.17	387.21	2.06	-47.11
O=C(CCCNC(=O)C1=CC=C(F)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200952	1	42	-1.0	-49.14	387.26	2.03	-47.11
CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC=C1	REAL300020200953	0	32	-1.0	-44.00	307.75	2.47	-41.53
CCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=C1	REAL300020200953	1	32	-1.0	-43.96	307.81	2.44	-41.52
CSC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=N1	REAL300020200954	0	32	-1.0	-45.03	316.94	1.44	-43.59
CSC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=N1	REAL300020200954	1	32	-1.0	-45.07	316.89	1.47	-43.60
CC(C)NC(=O)CN(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200955	0	43	-1.0	-52.92	374.20	-1.66	-54.58
CC(C)NC(=O)CN(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200955	1	43	-1.0	-52.88	374.26	-1.69	-54.57
CC(C)OC1=CC=C(Cl)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020200956	0	38	-1.0	-44.52	362.19	1.25	-43.27
CC(C)OC1=CC=C(Cl)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020200956	1	38	-1.0	-44.56	362.14	1.28	-43.28
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC=C(F)C=C1	REAL300020200957	0	32	-1.0	-42.50	318.86	2.90	-39.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC=C(F)C=C1	REAL300020200957	1	32	-1.0	-42.43	318.92	2.87	-39.56
CC(OCC1CC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200958	0	36	-1.0	-46.55	328.06	2.40	-44.15
CC(OCC1CC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200958	1	36	-1.0	-46.45	328.11	2.37	-44.08
CC1CCCCC1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200959	0	41	-1.0	-43.62	333.09	3.27	-40.35
CC1CCCCC1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200959	1	41	-1.0	-43.57	333.14	3.24	-40.33
COC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC2=CC=CC=C21	REAL300020200960	0	38	-1.0	-46.95	352.85	1.24	-45.71
COC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC2=CC=CC=C21	REAL300020200960	1	38	-1.0	-47.03	352.80	1.26	-45.77
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2NC(=O)CCC2=O)C=C1	REAL300020200961	0	41	-1.0	-50.67	375.10	1.09	-49.58
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2NC(=O)CCC2=O)C=C1	REAL300020200961	1	41	-1.0	-50.59	375.15	1.06	-49.53
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=CC=NC=C2)NC1=O	REAL300020200962	0	38	-1.0	-55.49	349.94	1.07	-54.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=CC=NC=C2)NC1=O	REAL300020200962	1	38	-1.0	-55.42	349.99	1.04	-54.38
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Br)C(C2CC2)=NN1	REAL300020200963	0	33	-1.0	-44.26	332.26	1.33	-42.93
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Br)C(C2CC2)=NN1	REAL300020200963	1	33	-1.0	-44.19	332.31	1.30	-42.89
COCC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020200964	0	32	-1.0	-46.93	321.06	-1.18	-48.11
COCC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020200964	1	32	-1.0	-46.92	321.12	-1.21	-48.13
O=C(CC(C1CC1)C1CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200965	0	39	-1.0	-43.03	342.26	4.06	-38.97
O=C(CC(C1CC1)C1CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200965	1	39	-1.0	-43.01	342.31	4.03	-38.98
CCC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020200966	0	31	-1.0	-44.10	308.80	0.67	-43.43
CCC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020200966	1	31	-1.0	-44.06	308.85	0.64	-43.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(C1=CC=CC=C1)N1C=CC=N1	REAL300020200967	0	39	-1.0	-45.78	359.08	3.20	-42.58
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(C1=CC=CC=C1)N1C=CC=N1	REAL300020200967	1	39	-1.0	-45.89	359.03	3.23	-42.66
O=C(CCCN1C=CN=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020200968	0	35	-1.0	-50.72	326.21	3.12	-47.60
O=C(CCCN1C=CN=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020200968	1	35	-1.0	-50.69	326.26	3.10	-47.59
CN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)CC1=CC=CC=C1	REAL300020200969	0	40	-1.0	-45.59	353.54	1.83	-43.76
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O=C(CNC(=O)OCC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201016	1	40	-1.0	-46.66	374.15	0.80	-45.86
CC(C)(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020201017	0	41	-1.0	-43.57	348.23	4.31	-39.26
CC(C)(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020201017	1	41	-1.0	-43.51	348.28	4.28	-39.23
CCCCOC(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201018	0	38	-1.0	-45.90	340.18	2.36	-43.54
CCCCOC(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201018	1	38	-1.0	-45.92	340.24	2.33	-43.59
CCCCC(NC(N)=O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201019	0	40	-1.0	-50.77	351.47	-1.18	-51.95
CCCCC(NC(N)=O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201019	1	40	-1.0	-50.76	351.51	-1.20	-51.96
O=C(CCC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201020	0	37	-1.0	-53.38	343.75	3.92	-49.46
O=C(CCC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201020	1	37	-1.0	-53.33	343.80	3.90	-49.43
CC1=NN(C(F)F)C(C)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201021	0	38	-1.0	-49.53	353.89	1.58	-47.95
CC1=NN(C(F)F)C(C)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201021	1	38	-1.0	-49.54	353.95	1.55	-47.99
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2OCCOC2=C1	REAL300020201022	0	44	-1.0	-48.23	377.94	2.81	-45.42
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2OCCOC2=C1	REAL300020201022	1	44	-1.0	-48.19	377.99	2.78	-45.41
O=C(CCN1C=C([N+](=O)[O-])C=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201023	0	34	-1.0	-48.35	335.45	1.41	-46.94
O=C(CCN1C=C([N+](=O)[O-])C=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201023	1	34	-1.0	-48.42	335.40	1.44	-46.98
CC1=NC([N+](=O)[O-])=CN1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201024	0	37	-1.0	-53.21	354.95	3.75	-49.46
CC1=NC([N+](=O)[O-])=CN1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201024	1	37	-1.0	-53.17	355.01	3.72	-49.45
CCN(CC)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020201025	0	42	-1.0	-46.38	370.38	3.76	-42.62
CCN(CC)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020201025	1	42	-1.0	-46.42	370.33	3.78	-42.64
COC1=CC=C(C)C=C1N1C=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020201026	0	43	-1.0	-50.84	388.34	3.48	-47.36
COC1=CC=C(C)C=C1N1C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020201026	1	43	-1.0	-50.86	388.29	3.51	-47.35
CN1C(=O)NC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C21	REAL300020201027	0	36	-1.0	-48.66	335.69	0.92	-47.74
CN1C(=O)NC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C21	REAL300020201027	1	36	-1.0	-48.63	335.74	0.89	-47.74
CN(C)C(=O)CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1	REAL300020201028	0	38	-1.0	-60.72	356.77	-1.18	-61.90
CN(C)C(=O)CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1	REAL300020201028	1	38	-1.0	-60.74	356.71	-1.15	-61.89
N#CC1=CC=C(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Cl)=C1	REAL300020201029	0	34	-1.0	-50.79	348.58	3.56	-47.23
N#CC1=CC=C(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=C1	REAL300020201029	1	34	-1.0	-50.75	348.63	3.53	-47.22
CC(C)CCOCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201030	0	38	-1.0	-46.27	337.96	2.18	-44.09
CC(C)CCOCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201030	1	38	-1.0	-46.25	338.02	2.15	-44.10
CC(C)CCOC(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201031	0	41	-1.0	-45.77	357.75	2.88	-42.89
CC(C)CCOC(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201031	1	41	-1.0	-45.75	357.81	2.85	-42.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC=CC(Cl)=C1	REAL300020201032	0	32	-1.0	-43.94	329.18	3.34	-40.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC=CC(Cl)=C1	REAL300020201032	1	32	-1.0	-43.91	329.23	3.31	-40.60
CC(C)OC1=CC=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201033	0	42	-1.0	-46.63	372.12	3.59	-43.04
CC(C)OC1=CC=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201033	1	42	-1.0	-46.55	372.17	3.57	-42.98
O=C(COCCC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201034	0	39	-1.0	-47.02	358.80	3.91	-43.11
O=C(COCCC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201034	1	39	-1.0	-46.98	358.86	3.88	-43.10
COC1=CC=CC=C1C1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020201035	0	39	-1.0	-48.22	371.84	2.38	-45.84
COC1=CC=CC=C1C1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020201035	1	39	-1.0	-48.22	371.79	2.41	-45.81
NS(=O)(=O)CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201036	0	37	-1.0	-56.61	356.47	-2.28	-58.89
NS(=O)(=O)CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201036	1	37	-1.0	-56.60	356.52	-2.31	-58.91
CC(OCC1CCCO1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201037	0	40	-1.0	-49.91	353.47	1.31	-48.60
CC(OCC1CCCO1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201037	1	40	-1.0	-49.82	353.52	1.28	-48.54
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=CC=CS2)NC1=O	REAL300020201038	0	36	-1.0	-55.99	348.35	3.07	-52.92
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=CC=CS2)NC1=O	REAL300020201038	1	36	-1.0	-55.98	348.29	3.10	-52.88
CC(C)CC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020201039	0	37	-1.0	-45.71	348.53	1.99	-43.72
CC(C)CC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020201039	1	37	-1.0	-45.63	348.59	1.96	-43.67
CC1=CC=C(CCCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201040	0	44	-1.0	-45.06	388.64	5.79	-39.27
CC1=CC=C(CCCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201040	1	44	-1.0	-45.00	388.69	5.76	-39.24
CC1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1[N+](=O)[O-]	REAL300020201041	0	31	-1.0	-47.40	311.85	-0.07	-47.47
CC1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1[N+](=O)[O-]	REAL300020201041	1	31	-1.0	-47.35	311.90	-0.10	-47.45
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2=CC=CC=C2Cl)N=C1	REAL300020201042	0	36	-1.0	-49.21	351.34	3.89	-45.32
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2=CC=CC=C2Cl)N=C1	REAL300020201042	1	36	-1.0	-49.26	351.29	3.92	-45.34
O=C(COC1=CC=C([N+](=O)[O-])C(F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201043	0	35	-1.0	-50.72	344.47	3.33	-47.39
O=C(COC1=CC=C([N+](=O)[O-])C(F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201043	1	35	-1.0	-50.71	344.53	3.30	-47.41
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201044	0	35	-1.0	-50.31	344.86	3.89	-46.42
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201044	1	35	-1.0	-50.25	344.91	3.87	-46.38
COC1=CC=C2CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)COC2=C1	REAL300020201045	0	41	-1.0	-46.21	362.23	1.90	-44.31
COC1=CC=C2CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)COC2=C1	REAL300020201045	1	41	-1.0	-46.18	362.29	1.88	-44.30
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2=CC=CC=C2Cl)N=N1	REAL300020201046	0	35	-1.0	-51.25	347.69	2.27	-48.98
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2=CC=CC=C2Cl)N=N1	REAL300020201046	1	35	-1.0	-51.29	347.64	2.30	-48.99
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC(C2CC2)=N1	REAL300020201047	0	32	-1.0	-46.42	317.26	1.28	-45.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC(C2CC2)=N1	REAL300020201047	1	32	-1.0	-46.32	317.31	1.26	-45.06
O=C(CCCOC1=CC=C(F)C=C1F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201048	0	39	-1.0	-49.28	366.84	3.27	-46.01
O=C(CCCOC1=CC=C(F)C=C1F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201048	1	39	-1.0	-49.30	366.89	3.25	-46.05
C=CCCOC(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201049	0	36	-1.0	-45.81	331.50	2.14	-43.67
C=CCCOC(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201049	1	36	-1.0	-45.76	331.55	2.11	-43.65
NS(=O)(=O)C1=CN(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020201050	0	37	-1.0	-52.98	361.66	-4.44	-57.42
NS(=O)(=O)C1=CN(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020201050	1	37	-1.0	-52.99	361.61	-4.41	-57.40
CN1C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1C1=CC=C(F)C=C1	REAL300020201051	0	40	-1.0	-44.31	363.14	5.12	-39.19
CN1C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1C1=CC=C(F)C=C1	REAL300020201051	1	40	-1.0	-44.24	363.19	5.09	-39.15
CC(C)CN1N=CC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CN=C21	REAL300020201052	0	43	-1.0	-46.67	384.32	3.61	-43.06
CC(C)CN1N=CC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CN=C21	REAL300020201052	1	43	-1.0	-46.70	384.27	3.64	-43.06
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC(C(C)(C)C)=N1	REAL300020201053	0	40	-1.0	-43.73	364.45	2.37	-41.36
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC(C(C)(C)C)=N1	REAL300020201053	1	40	-1.0	-43.72	364.50	2.34	-41.38
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C(=O)NC2CC2)CC1	REAL300020201054	0	37	-1.0	-47.87	346.06	0.21	-47.66
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C(=O)NC2CC2)CC1	REAL300020201054	1	37	-1.0	-47.90	346.11	0.19	-47.71
CC1=NN=C2C=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CN12	REAL300020201055	0	34	-1.0	-49.15	321.04	3.18	-45.97
CC1=NN=C2C=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CN12	REAL300020201055	1	34	-1.0	-49.09	321.09	3.14	-45.95
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300020201056	0	36	-1.0	-43.80	344.73	3.90	-39.90
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300020201056	1	36	-1.0	-43.75	344.78	3.88	-39.87
CC1=CN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C12	REAL300020201057	0	39	-1.0	-49.76	357.91	4.89	-44.87
CC1=CN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C12	REAL300020201057	1	39	-1.0	-49.68	357.96	4.86	-44.82
CCCCN(CC)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201058	0	49	-1.0	-45.49	416.10	5.89	-39.60
CCCCN(CC)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201058	1	49	-1.0	-45.43	416.15	5.86	-39.57
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC2=CC=C([N+](=O)[O-])C=C12	REAL300020201059	0	35	-1.0	-55.31	338.79	2.71	-52.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC2=CC=C([N+](=O)[O-])C=C12	REAL300020201059	1	35	-1.0	-55.20	338.84	2.68	-52.52
NS(=O)(=O)C1=CN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020201060	0	34	-1.0	-57.52	339.48	-4.99	-62.51
NS(=O)(=O)C1=CN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020201060	1	34	-1.0	-57.53	339.43	-4.96	-62.49
CCOC(CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1)OCC	REAL300020201061	0	45	-1.0	-49.46	403.49	0.13	-49.33
CCOC(CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1)OCC	REAL300020201061	1	45	-1.0	-49.45	403.44	0.16	-49.29
O=C(CSCC(=O)C1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201062	0	38	-1.0	-53.67	367.32	3.97	-49.70
O=C(CSCC(=O)C1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201062	1	38	-1.0	-53.61	367.37	3.94	-49.67
CCN1C=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C21	REAL300020201063	0	42	-1.0	-50.04	379.05	5.43	-44.61
CCN1C=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C21	REAL300020201063	1	42	-1.0	-50.03	379.10	5.40	-44.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1OC1=CC=CN=C1	REAL300020201064	0	39	-1.0	-50.08	359.70	4.25	-45.83
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1OC1=CC=CN=C1	REAL300020201064	1	39	-1.0	-50.12	359.65	4.28	-45.84
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)C(Cl)=C1	REAL300020201065	0	38	-1.0	-44.39	365.38	4.63	-39.76
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C(Cl)=C1	REAL300020201065	1	38	-1.0	-44.40	365.43	4.60	-39.80
O=C(CCC1=NC(C2=NNC=N2)=NO1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201066	0	36	-1.0	-54.50	350.56	-0.71	-55.21
O=C(CCC1=NC(C2=NNC=N2)=NO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201066	1	36	-1.0	-54.46	350.61	-0.74	-55.20
CC(OCC1CCCCO1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201067	0	43	-1.0	-48.89	371.59	2.14	-46.75
CC(OCC1CCCCO1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201067	1	43	-1.0	-48.84	371.64	2.11	-46.73
CC1=CC=C(C2=NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)S2)C(C)=C1	REAL300020201068	0	41	-1.0	-44.72	386.51	4.39	-40.33
CC1=CC=C(C2=NC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)S2)C(C)=C1	REAL300020201068	1	41	-1.0	-44.70	386.56	4.36	-40.34
CC1=C2OC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=CC=C1	REAL300020201069	0	35	-1.0	-46.01	330.86	3.12	-42.89
CC1=C2OC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=CC=C1	REAL300020201069	1	35	-1.0	-45.99	330.91	3.09	-42.90
CC(C)(C)C1=CC=C(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CCC2)C=C1	REAL300020201070	0	51	-1.0	-42.50	421.47	6.67	-35.83
CC(C)(C)C1=CC=C(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CCC2)C=C1	REAL300020201070	1	51	-1.0	-42.43	421.52	6.64	-35.79
CC(=O)C1=CC=CC(OC(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201071	0	41	-1.0	-54.40	370.44	3.62	-50.78
CC(=O)C1=CC=CC(OC(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201071	1	41	-1.0	-54.42	370.49	3.60	-50.82
CN1N=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C1CC1	REAL300020201072	0	36	-1.0	-46.97	328.52	1.68	-45.29
CN1N=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C1CC1	REAL300020201072	1	36	-1.0	-46.91	328.57	1.66	-45.25
N#CC1=CC=C(N2CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CC2=O)C=C1	REAL300020201073	0	41	-1.0	-51.02	377.72	3.40	-47.62
N#CC1=CC=C(N2CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CC2=O)C=C1	REAL300020201073	1	41	-1.0	-50.96	377.78	3.37	-47.59
CC1=CC=CC=C1C(C)(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201074	0	41	-1.0	-44.72	344.80	3.97	-40.75
CC1=CC=CC=C1C(C)(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201074	1	41	-1.0	-44.71	344.85	3.94	-40.77
COC1=CC=CC=C1C(C)(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201075	0	42	-1.0	-47.17	358.93	3.88	-43.29
COC1=CC=CC=C1C(C)(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201075	1	42	-1.0	-47.07	358.99	3.85	-43.22
CC(=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300020201076	0	39	-1.0	-43.57	371.41	5.07	-38.50
CC(=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300020201076	1	39	-1.0	-43.52	371.46	5.04	-38.48
O=C(CC1=CC(Cl)=CC=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201077	0	32	-1.0	-45.39	333.80	3.69	-41.70
O=C(CC1=CC(Cl)=CC=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201077	1	32	-1.0	-45.33	333.85	3.66	-41.67
NC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020201078	0	30	-1.0	-46.19	308.10	-2.07	-48.26
NC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020201078	1	30	-1.0	-46.15	308.15	-2.09	-48.24
NS(=O)(=O)CC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201079	0	37	-1.0	-57.15	356.47	-2.29	-59.44
NS(=O)(=O)CC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201079	1	37	-1.0	-57.10	356.53	-2.32	-59.42
CN(C)C1=CC=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201080	0	36	-1.0	-47.04	327.24	0.76	-46.28
CN(C)C1=CC=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201080	1	36	-1.0	-46.96	327.30	0.74	-46.22
CC1=NN(C)C(C)=C1C(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201081	0	41	-1.0	-49.90	353.68	1.84	-48.06
CC1=NN(C)C(C)=C1C(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201081	1	41	-1.0	-49.87	353.74	1.81	-48.06
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2COCC2=C1	REAL300020201082	0	34	-1.0	-45.00	314.20	1.37	-43.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2COCC2=C1	REAL300020201082	1	34	-1.0	-45.01	314.25	1.34	-43.67
COC1=CC=C(C(=O)CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201083	0	41	-1.0	-47.19	373.75	2.69	-44.50
COC1=CC=C(C(=O)CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201083	1	41	-1.0	-47.18	373.81	2.66	-44.52
COC1=CC(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1[N+](=O)[O-]	REAL300020201084	0	39	-1.0	-52.47	367.25	3.38	-49.09
COC1=CC(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1[N+](=O)[O-]	REAL300020201084	1	39	-1.0	-52.40	367.30	3.35	-49.05
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN2C=NN=C2C=C1	REAL300020201085	0	31	-1.0	-49.01	299.24	3.31	-45.70
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN2C=NN=C2C=C1	REAL300020201085	1	31	-1.0	-49.08	299.19	3.34	-45.74
CC(C)C1=CC=C(OCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201086	0	45	-1.0	-44.85	392.90	4.30	-40.55
CC(C)C1=CC=C(OCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201086	1	45	-1.0	-44.81	392.96	4.27	-40.54
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=C1OCCO2	REAL300020201087	0	35	-1.0	-48.88	320.43	2.34	-46.54
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=C1OCCO2	REAL300020201087	1	35	-1.0	-48.80	320.49	2.31	-46.49
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Br)=CS1	REAL300020201088	0	26	-1.0	-43.08	291.82	1.68	-41.40
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Br)=CS1	REAL300020201088	1	26	-1.0	-43.04	291.87	1.65	-41.39
CC(C)(C)CC(=O)N1CCCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201089	0	48	-1.0	-54.02	396.02	4.18	-49.84
CC(C)(C)CC(=O)N1CCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201089	1	48	-1.0	-53.97	396.07	4.15	-49.82
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2CCOCC2)C=C1	REAL300020201090	0	42	-1.0	-45.61	361.99	0.89	-44.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2CCOCC2)C=C1	REAL300020201090	1	42	-1.0	-45.58	362.04	0.86	-44.72
COC1=CC=C(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201091	0	42	-1.0	-47.51	375.24	3.63	-43.88
COC1=CC=C(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201091	1	42	-1.0	-47.43	375.29	3.61	-43.82
CC(CC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201092	0	38	-1.0	-44.03	346.06	4.09	-39.94
CC(CC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201092	1	38	-1.0	-44.03	346.11	4.06	-39.97
CC(CC1=CC=CC(F)=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201093	0	38	-1.0	-43.85	346.01	4.09	-39.76
CC(CC1=CC=CC(F)=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201093	1	38	-1.0	-43.84	346.07	4.06	-39.78
C=CCN1C(=O)C(=O)N(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1=O	REAL300020201094	0	37	-1.0	-48.97	362.41	0.60	-48.37
C=CCN1C(=O)C(=O)N(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1=O	REAL300020201094	1	37	-1.0	-48.92	362.46	0.57	-48.35
CC(C)C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CCCC1=O	REAL300020201095	0	42	-1.0	-54.93	356.27	4.32	-50.61
CC(C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CCCC1=O	REAL300020201095	1	42	-1.0	-54.86	356.33	4.28	-50.58
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)OC1(C)C	REAL300020201096	0	36	-1.0	-52.14	328.83	2.17	-49.97
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)OC1(C)C	REAL300020201096	1	36	-1.0	-52.03	328.88	2.14	-49.89
COC1=CC(Cl)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201097	0	33	-1.0	-46.02	322.25	3.14	-42.88
COC1=CC(Cl)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201097	1	33	-1.0	-45.94	322.30	3.11	-42.83
CC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201098	0	34	-1.0	-47.74	322.49	3.41	-44.33
CC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201098	1	34	-1.0	-47.73	322.54	3.38	-44.35
CCN(C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1)C(C)C	REAL300020201099	0	46	-1.0	-45.26	383.42	4.62	-40.64
CCN(C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1)C(C)C	REAL300020201099	1	46	-1.0	-45.18	383.47	4.59	-40.59
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201100	0	39	-2.0	-95.56	367.49	0.04	-95.52
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201100	1	39	-2.0	-95.50	367.54	0.01	-95.49
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC(N2C=NC=N2)=C1	REAL300020201101	0	34	-1.0	-49.45	328.96	3.90	-45.55
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC(N2C=NC=N2)=C1	REAL300020201101	1	34	-1.0	-49.54	328.91	3.93	-45.61
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1N1CCOCC1	REAL300020201102	0	42	-1.0	-45.95	363.54	2.21	-43.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1N1CCOCC1	REAL300020201102	1	42	-1.0	-45.96	363.59	2.19	-43.77
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN=C1N1CCOCC1	REAL300020201103	0	41	-1.0	-46.75	361.30	1.20	-45.55
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN=C1N1CCOCC1	REAL300020201103	1	41	-1.0	-46.77	361.25	1.23	-45.54
O=C(CC1C(=O)NC2=CC=CC=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201104	0	37	-1.0	-52.89	340.07	2.42	-50.47
O=C(CC1C(=O)NC2=CC=CC=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201104	1	37	-1.0	-52.88	340.12	2.39	-50.49
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC=C2Cl)C=C1	REAL300020201105	0	36	-1.0	-51.98	352.02	3.88	-48.10
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC=C2Cl)C=C1	REAL300020201105	1	36	-1.0	-52.01	351.97	3.91	-48.10
O=C(C=CC1=CSC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201106	0	29	-1.0	-46.90	299.16	0.44	-46.46
O=C(C=CC1=CSC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201106	1	29	-1.0	-46.88	299.21	0.41	-46.47
CCC1=NC(C)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020201107	0	34	-1.0	-43.89	325.81	1.29	-42.60
CCC1=NC(C)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020201107	1	34	-1.0	-43.87	325.86	1.26	-42.61
COC1=CC=C(Cl)C=C1NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201108	0	38	-1.0	-45.80	360.84	0.95	-44.85
COC1=CC=C(Cl)C=C1NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201108	1	38	-1.0	-45.77	360.89	0.93	-44.84
COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C1=CC=CC=C1	REAL300020201109	0	43	-1.0	-46.68	386.26	5.13	-41.55
COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C1=CC=CC=C1	REAL300020201109	1	43	-1.0	-46.59	386.31	5.10	-41.49
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020201110	0	44	0.0	-65.17	378.81	3.62	-61.55
CCN(CC)CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020201110	1	43	-1.0	-44.71	372.43	1.17	-43.54
CCN(CC)CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020201110	1	43	-1.0	-44.69	372.48	1.14	-43.55
CN(C)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1F	REAL300020201111	0	37	-1.0	-44.83	339.05	1.60	-43.23
CN(C)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1F	REAL300020201111	1	37	-1.0	-44.74	339.10	1.58	-43.16
O=C(CCCOC1=CC=CC=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201112	0	39	-1.0	-48.96	370.23	3.70	-45.26
O=C(CCCOC1=CC=CC=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201112	1	39	-1.0	-48.93	370.29	3.67	-45.26
CC(C)C1=NC=C(Cl)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020201113	0	36	-1.0	-43.71	346.53	1.82	-41.89
CC(C)C1=NC=C(Cl)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020201113	1	36	-1.0	-43.64	346.58	1.79	-41.85
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=CC=CO2)NC1=O	REAL300020201114	0	36	-1.0	-53.59	340.12	0.99	-52.60
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=CC=CO2)NC1=O	REAL300020201114	1	36	-1.0	-53.57	340.07	1.02	-52.55
CN1C=C(C(=O)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020201115	0	31	-1.0	-47.07	303.76	-0.32	-47.39
CN1C=C(C(=O)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020201115	1	31	-1.0	-47.01	303.81	-0.34	-47.35
O=C(CCCOCC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201116	0	42	-1.0	-47.71	379.76	3.61	-44.10
O=C(CCCOCC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201116	1	42	-1.0	-47.72	379.81	3.58	-44.14
CCCN(C)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201117	0	43	-1.0	-45.45	372.80	4.18	-41.27
CCCN(C)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201117	1	43	-1.0	-45.45	372.85	4.15	-41.30
CC1=NC([N+](=O)[O-])=CN1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201118	0	34	-1.0	-55.63	334.84	3.27	-52.36
CC1=NC([N+](=O)[O-])=CN1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201118	1	34	-1.0	-55.58	334.90	3.24	-52.34
O=C(CCN1CCOCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201119	0	38	-1.0	-44.88	331.16	-1.78	-46.66
O=C(CCN1CCOCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201119	1	38	-1.0	-44.90	331.21	-1.81	-46.71
O=C(CC[NH+]1CCOCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201119	1	39	0.0	-67.82	333.73	0.46	-67.36
CCC[N@H+](CC)CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201120	0	50	0.0	-69.47	413.50	6.07	-63.40
CCC[N@@H+](CC)CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201120	1	50	0.0	-69.88	413.95	6.09	-63.79
CCC[N@H+](CC)CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201120	1	50	0.0	-69.42	413.55	6.04	-63.38
CCC[N@@H+](CC)CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201120	1	50	0.0	-69.87	414.01	6.06	-63.81
CCCN(CC)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020201121	0	45	-1.0	-46.24	391.88	4.51	-41.73
CCCN(CC)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020201121	1	45	-1.0	-46.28	391.83	4.54	-41.74
COC1=CC=CC2=C1OCC(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)=C2	REAL300020201122	0	39	-1.0	-48.37	353.37	2.42	-45.95
COC1=CC=CC2=C1OCC(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)=C2	REAL300020201122	1	39	-1.0	-48.32	353.43	2.39	-45.93
CC1=NOC(Cl)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201123	0	31	-1.0	-47.16	315.59	1.33	-45.83
CC1=NOC(Cl)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201123	1	31	-1.0	-47.11	315.65	1.30	-45.81
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(C2=CC=C(F)C=C2)C=CS1	REAL300020201124	0	36	-1.0	-45.00	350.79	4.75	-40.25
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(C2=CC=C(F)C=C2)C=CS1	REAL300020201124	1	36	-1.0	-45.00	350.84	4.72	-40.28
CC1=NN(CC2=CC=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)C(C)=C1	REAL300020201125	0	45	-1.0	-47.05	399.83	4.63	-42.42
CC1=NN(CC2=CC=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)C(C)=C1	REAL300020201125	1	45	-1.0	-47.04	399.89	4.60	-42.44
O=C(CCC1=CC=CC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201126	0	34	-1.0	-46.69	318.43	1.78	-44.91
O=C(CCC1=CC=CC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201126	1	34	-1.0	-46.65	318.48	1.75	-44.90
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201127	0	46	-1.0	-47.57	403.60	7.10	-40.47
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201127	1	46	-1.0	-47.52	403.66	7.07	-40.45
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020201128	0	31	-1.0	-48.71	326.45	-3.92	-52.63
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020201128	1	31	-1.0	-48.66	326.50	-3.95	-52.61
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201129	0	38	-1.0	-52.18	364.10	4.88	-47.30
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201129	1	38	-1.0	-52.18	364.15	4.85	-47.33
CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCCC1	REAL300020201130	0	44	-1.0	-43.30	357.51	4.13	-39.17
CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCCC1	REAL300020201130	1	44	-1.0	-43.27	357.56	4.10	-39.17
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C(S(N)(=O)=O)S1	REAL300020201131	0	34	-1.0	-51.22	342.67	-3.23	-54.45
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C(S(N)(=O)=O)S1	REAL300020201131	1	34	-1.0	-51.19	342.72	-3.26	-54.45
NC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(Cl)=N1	REAL300020201132	0	30	-1.0	-44.45	305.49	-0.55	-45.00
NC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(Cl)=N1	REAL300020201132	1	30	-1.0	-44.53	305.44	-0.52	-45.05
COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Br)=C1	REAL300020201133	0	33	-1.0	-45.19	323.87	2.00	-43.19
COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Br)=C1	REAL300020201133	1	33	-1.0	-45.13	323.92	1.97	-43.16
COC1=CC(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CCC2)=CC=C1C	REAL300020201134	0	46	-1.0	-47.22	395.44	4.35	-42.87
COC1=CC(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CCC2)=CC=C1C	REAL300020201134	1	46	-1.0	-47.12	395.49	4.32	-42.80
O=C(CCN1C=CN=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201135	0	32	-1.0	-47.02	304.71	2.32	-44.70
O=C(CCN1C=CN=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201135	1	32	-1.0	-46.95	304.76	2.29	-44.66
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C=C(Br)C=N1	REAL300020201136	0	35	-1.0	-48.23	339.26	1.99	-46.24
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C=C(Br)C=N1	REAL300020201136	1	35	-1.0	-48.27	339.20	2.02	-46.25
CC(C)(C)OC(=O)N1CSCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201137	0	44	-1.0	-50.92	388.99	2.76	-48.16
CC(C)(C)OC(=O)N1CSCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201137	1	44	-1.0	-50.89	389.04	2.73	-48.16
O=C(CC1=CNC2=CC(F)=CC=C12)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201138	0	36	-1.0	-49.41	341.16	2.87	-46.54
O=C(CC1=CNC2=CC(F)=CC=C12)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201138	1	36	-1.0	-49.37	341.21	2.84	-46.53
COC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1[N+](=O)[O-]	REAL300020201139	0	35	-1.0	-46.94	333.66	2.80	-44.14
COC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1[N+](=O)[O-]	REAL300020201139	1	35	-1.0	-46.90	333.72	2.77	-44.13
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020201140	0	48	0.0	-70.33	399.49	5.71	-64.62
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020201140	1	48	0.0	-70.24	399.54	5.68	-64.56
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)NC(C2=CC=CC=C2)=N1	REAL300020201141	0	39	-1.0	-45.73	357.99	3.11	-42.62
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)NC(C2=CC=CC=C2)=N1	REAL300020201141	1	39	-1.0	-45.68	358.04	3.08	-42.60
NC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020201142	0	32	-1.0	-46.11	310.18	-2.89	-49.00
NC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020201142	1	32	-1.0	-46.18	310.12	-2.86	-49.04
CCCC1=NNC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201143	0	35	-1.0	-46.64	321.40	0.61	-46.03
CCCC1=NNC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201143	1	35	-1.0	-46.62	321.45	0.58	-46.04
CN(C)C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020201144	0	40	-1.0	-44.62	353.91	1.75	-42.87
CN(C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020201144	1	40	-1.0	-44.56	353.96	1.71	-42.85
C[NH+](C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020201144	1	41	0.0	-63.24	353.11	3.94	-59.30
CC(OC1=CC=C(F)C(F)=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201145	0	36	-1.0	-46.90	341.90	3.33	-43.57
CC(OC1=CC=C(F)C(F)=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201145	1	36	-1.0	-46.84	341.95	3.31	-43.53
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN1CC1=CC=NC=C1	REAL300020201146	0	39	-1.0	-45.56	356.05	3.39	-42.17
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN1CC1=CC=NC=C1	REAL300020201146	1	39	-1.0	-45.53	356.11	3.36	-42.17
CC[N@H+](CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1)C(C)C	REAL300020201147	0	50	0.0	-69.08	397.72	5.42	-63.66
CC[N@@H+](CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1)C(C)C	REAL300020201147	1	50	0.0	-67.32	395.91	5.15	-62.17
CC[N@H+](CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1)C(C)C	REAL300020201147	1	50	0.0	-69.01	397.78	5.39	-63.62
CC[N@@H+](CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1)C(C)C	REAL300020201147	1	50	0.0	-67.30	395.96	5.12	-62.18
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C(F)(F)F)CC1	REAL300020201148	0	29	-1.0	-45.69	291.20	1.42	-44.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C(F)(F)F)CC1	REAL300020201148	1	29	-1.0	-45.65	291.25	1.39	-44.26
CC1CCC(NS(=O)(=O)CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020201149	0	46	-1.0	-53.38	395.27	-0.67	-54.05
CC1CCC(NS(=O)(=O)CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020201149	1	46	-1.0	-53.36	395.31	-0.70	-54.06
CN1C=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020201150	0	32	-1.0	-50.06	305.70	0.51	-49.55
CN1C=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020201150	1	32	-1.0	-50.07	305.65	0.54	-49.53
CCN1N=C(C)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201151	0	35	-1.0	-44.67	322.17	1.25	-43.42
CCN1N=C(C)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201151	1	35	-1.0	-44.59	322.23	1.22	-43.37
COCCCOC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020201152	0	42	-1.0	-45.21	382.40	-0.44	-45.65
COCCCOC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020201152	1	42	-1.0	-45.26	382.35	-0.41	-45.67
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC2=CC=CC=C21	REAL300020201153	0	42	-1.0	-44.53	349.87	4.87	-39.66
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC2=CC=CC=C21	REAL300020201153	1	42	-1.0	-44.52	349.93	4.85	-39.67
O=C(COC1=CC=CN=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201154	0	32	-1.0	-48.48	306.68	0.82	-47.66
O=C(COC1=CC=CN=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201154	1	32	-1.0	-48.57	306.63	0.85	-47.72
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201155	0	38	-1.0	-45.90	351.13	2.68	-43.22
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201155	1	38	-1.0	-45.91	351.07	2.71	-43.20
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201156	0	38	-1.0	-45.66	357.05	3.46	-42.20
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201156	1	38	-1.0	-45.70	356.99	3.49	-42.21
CC1=CC=C2C(CC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CNC2=C1	REAL300020201157	0	39	-1.0	-50.07	356.12	3.46	-46.61
CC1=CC=C2C(CC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CNC2=C1	REAL300020201157	1	39	-1.0	-50.04	356.17	3.43	-46.61
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCCC1C(=O)N1CCCC1	REAL300020201158	0	49	-1.0	-50.04	391.28	4.28	-45.76
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCCC1C(=O)N1CCCC1	REAL300020201158	1	49	-1.0	-49.99	391.33	4.25	-45.74
O=C(CCN1C=CNC(=O)C1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201159	0	35	-1.0	-61.44	333.72	-0.21	-61.65
O=C(CCN1C=CNC(=O)C1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201159	1	35	-1.0	-61.45	333.77	-0.23	-61.68
O=C(CCN1C=C[N-]C(=O)C1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201159	1	34	-2.0	-98.28	330.30	-1.33	-99.61
O=C(CCN1C=C[N-]C(=O)C1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201159	1	34	-2.0	-98.20	330.35	-1.36	-99.56
CCC(C)C(=O)N1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020201160	0	48	-1.0	-48.56	397.18	3.05	-45.51
CCC(C)C(=O)N1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020201160	1	48	-1.0	-48.56	397.23	3.03	-45.53
CS(=O)(=O)NC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1F	REAL300020201161	0	37	-1.0	-50.91	357.13	-1.15	-52.06
CS(=O)(=O)NC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1F	REAL300020201161	1	37	-1.0	-50.86	357.19	-1.18	-52.04
O=C(CCNC(=O)C1CCCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201162	0	45	-1.0	-51.64	385.10	1.45	-50.19
O=C(CCNC(=O)C1CCCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201162	1	45	-1.0	-51.59	385.15	1.42	-50.17
CS(=O)(=O)CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020201163	0	35	-1.0	-59.98	347.97	-1.56	-61.54
CS(=O)(=O)CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020201163	1	35	-1.0	-59.96	348.03	-1.61	-61.57
CCC1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1[N+](=O)[O-]	REAL300020201164	0	34	-1.0	-47.25	333.33	0.67	-46.58
CCC1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1[N+](=O)[O-]	REAL300020201164	1	34	-1.0	-47.17	333.39	0.64	-46.53
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2C=NN=C2)C=C1	REAL300020201165	0	35	-1.0	-50.40	329.03	5.00	-45.40
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CC1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201218	0	39	-1.0	-46.99	357.28	3.83	-43.16
CC1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201218	1	39	-1.0	-46.93	357.33	3.80	-43.13
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CCOCC1	REAL300020201219	0	38	-1.0	-44.60	321.24	-1.95	-46.55
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CCOCC1	REAL300020201219	1	38	-1.0	-44.54	321.29	-1.98	-46.52
CC(C)(C)N1C=CN=C1SCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201220	0	42	-1.0	-47.56	377.54	3.32	-44.24
CC(C)(C)N1C=CN=C1SCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201220	1	42	-1.0	-47.58	377.49	3.34	-44.24
CC1=NC=CN1CCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201221	0	38	-1.0	-51.04	345.96	2.92	-48.12
CC1=NC=CN1CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201221	1	38	-1.0	-51.01	346.01	2.89	-48.12
CC1=[NH+]C=CN1CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201221	1	39	0.0	-62.39	349.43	3.35	-59.04
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201222	0	40	-1.0	-51.91	356.72	2.94	-48.97
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201222	1	40	-1.0	-51.90	356.77	2.91	-48.99
CC(=O)NC(C)(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201223	0	35	-1.0	-43.50	313.06	-1.05	-44.55
CC(=O)NC(C)(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201223	1	35	-1.0	-43.48	313.11	-1.08	-44.56
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL300020201224	0	42	-1.0	-52.38	385.29	5.02	-47.36
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL300020201224	1	42	-1.0	-52.33	385.34	4.99	-47.34
CC(C)(C)C1=NC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020201225	0	40	-1.0	-46.52	369.58	2.24	-44.28
CC(C)(C)C1=NC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020201225	1	40	-1.0	-46.47	369.63	2.21	-44.26
CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1F	REAL300020201226	0	38	-1.0	-47.49	342.71	4.01	-43.48
CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1F	REAL300020201226	1	38	-1.0	-47.45	342.76	3.98	-43.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)C1=CC=C(Cl)C=C1	REAL300020201227	0	31	-1.0	-42.52	315.47	2.41	-40.11
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)C1=CC=C(Cl)C=C1	REAL300020201227	1	31	-1.0	-42.44	315.52	2.39	-40.05
O=C(CN1C2=CC=CC=C2CCCC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201228	0	43	-1.0	-51.99	373.49	4.03	-47.96
O=C(CN1C2=CC=CC=C2CCCC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201228	1	43	-1.0	-51.98	373.54	4.00	-47.98
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201229	0	34	-1.0	-50.28	335.21	2.00	-48.28
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201229	1	34	-1.0	-50.31	335.26	1.97	-48.34
O=C(CC1=CC=CC(Cl)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201230	0	32	-1.0	-46.35	319.57	3.26	-43.09
O=C(CC1=CC=CC(Cl)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201230	1	32	-1.0	-46.32	319.62	3.23	-43.09
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[NH+]1C(C)CCC1C	REAL300020201231	0	44	0.0	-57.62	349.14	2.80	-54.82
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C(C)CCC1C	REAL300020201231	1	43	-1.0	-42.87	343.11	0.97	-41.90
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C(C)CCC1C	REAL300020201231	1	43	-1.0	-42.80	343.16	0.94	-41.86
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL300020201232	0	44	-1.0	-46.83	388.35	4.11	-42.72
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL300020201232	1	44	-1.0	-46.85	388.30	4.13	-42.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL300020201233	0	36	-1.0	-48.76	363.85	2.39	-46.37
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL300020201233	1	36	-1.0	-48.83	363.80	2.41	-46.42
CC1=NSC2=NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C12	REAL300020201234	0	33	-1.0	-46.14	325.42	0.90	-45.24
CC1=NSC2=NC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C12	REAL300020201234	1	33	-1.0	-46.06	325.47	0.87	-45.19
COC1=CC(Br)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201235	0	33	-1.0	-45.89	326.81	3.25	-42.64
COC1=CC(Br)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201235	1	33	-1.0	-45.85	326.87	3.22	-42.63
O=C(CNC(=O)CC1CCCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201236	0	45	-1.0	-45.82	381.64	1.50	-44.32
O=C(CNC(=O)CC1CCCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201236	1	45	-1.0	-45.79	381.70	1.48	-44.31
CC1=NOC(C)=C1C(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201237	0	37	-1.0	-48.02	330.82	1.91	-46.11
CC1=NOC(C)=C1C(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201237	1	37	-1.0	-48.00	330.87	1.88	-46.12
CS(=O)(=O)C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020201238	0	38	-1.0	-57.93	336.82	-0.86	-58.79
CS(=O)(=O)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020201238	1	38	-1.0	-57.88	336.87	-0.88	-58.76
CC(C)OC1=CC=CC=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201239	0	42	-1.0	-47.52	370.94	3.65	-43.87
CC(C)OC1=CC=CC=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201239	1	42	-1.0	-47.48	370.99	3.62	-43.86
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2C=CN=C2)N=N1	REAL300020201240	0	34	-1.0	-50.22	328.78	2.64	-47.58
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2C=CN=C2)N=N1	REAL300020201240	1	34	-1.0	-50.19	328.83	2.61	-47.58
CC1=CC=CN2C=C(CC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N=C12	REAL300020201241	0	38	-1.0	-53.88	350.39	3.96	-49.92
CC1=CC=CN2C=C(CC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N=C12	REAL300020201241	1	38	-1.0	-53.87	350.44	3.93	-49.94
CC1=CC=CC(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CCCC2)=C1	REAL300020201242	0	45	-1.0	-43.99	379.09	6.01	-37.98
CC1=CC=CC(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CCCC2)=C1	REAL300020201242	1	45	-1.0	-43.87	379.14	5.98	-37.89
CC1=CC=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201243	0	35	-1.0	-45.81	324.24	3.41	-42.40
CC1=CC=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201243	1	35	-1.0	-45.77	324.29	3.38	-42.39
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201244	0	37	-1.0	-48.60	334.83	1.25	-47.35
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201244	1	37	-1.0	-48.55	334.88	1.22	-47.33
CC(C)C1=CC=C(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CCC2)C=C1	REAL300020201245	0	48	-1.0	-42.51	405.49	6.27	-36.24
CC(C)C1=CC=C(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CCC2)C=C1	REAL300020201245	1	48	-1.0	-42.49	405.55	6.25	-36.24
COC1=CC=C(CCCCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201246	0	48	-1.0	-47.29	418.23	5.20	-42.09
COC1=CC=C(CCCCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201246	1	48	-1.0	-47.24	418.29	5.17	-42.07
CCSC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020201247	0	35	-1.0	-44.14	337.46	2.33	-41.81
CCSC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020201247	1	35	-1.0	-44.14	337.40	2.36	-41.78
CN(C)C(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201248	0	39	-1.0	-48.43	349.24	1.92	-46.51
CN(C)C(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201248	1	39	-1.0	-48.36	349.30	1.89	-46.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCOC2=CC=CC=C21	REAL300020201249	0	37	-1.0	-46.81	331.17	2.64	-44.17
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCOC2=CC=CC=C21	REAL300020201249	1	37	-1.0	-46.79	331.22	2.61	-44.18
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201250	0	51	-1.0	-42.87	416.16	2.60	-40.27
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201250	1	51	-1.0	-42.76	416.22	2.57	-40.19
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201251	0	38	-1.0	-53.74	365.84	-0.56	-54.30
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201251	1	38	-1.0	-53.69	365.89	-0.58	-54.27
CCCC(=O)N1CSCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201252	0	40	-1.0	-53.19	363.49	2.88	-50.31
CCCC(=O)N1CSCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201252	1	40	-1.0	-53.09	363.54	2.85	-50.24
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201253	0	39	-1.0	-44.93	370.23	3.35	-41.58
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201253	1	39	-1.0	-44.87	370.29	3.32	-41.55
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(OCC2CC2)N=C1	REAL300020201254	0	39	-1.0	-44.41	358.91	1.27	-43.14
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(OCC2CC2)N=C1	REAL300020201254	1	39	-1.0	-44.42	358.85	1.29	-43.13
CC(C)C(SCC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201255	0	45	-1.0	-44.69	401.89	6.55	-38.14
CC(C)C(SCC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201255	1	45	-1.0	-44.70	401.94	6.53	-38.17
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC([N+](=O)[O-])=CC2=C1OCCO2	REAL300020201256	0	37	-1.0	-48.55	348.59	3.01	-45.54
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC([N+](=O)[O-])=CC2=C1OCCO2	REAL300020201256	1	37	-1.0	-48.48	348.64	2.98	-45.50
CCC1=CC=C(C(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201257	0	41	-1.0	-44.71	361.67	4.73	-39.98
CCC1=CC=C(C(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201257	1	41	-1.0	-44.70	361.72	4.70	-40.00
O=C(CCC1=CC=CC(OC2CCCC2)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201258	0	49	-1.0	-45.16	418.33	5.75	-39.41
O=C(CCC1=CC=CC(OC2CCCC2)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201258	1	49	-1.0	-45.15	418.38	5.72	-39.43
CC(C)(C)C(=O)N1CSCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201259	0	43	-1.0	-48.87	367.95	2.82	-46.05
CC(C)(C)C(=O)N1CSCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201259	1	43	-1.0	-48.82	368.00	2.79	-46.03
CCCCCS(=O)(=O)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201260	0	40	-1.0	-57.69	370.31	0.01	-57.68
CCCCCS(=O)(=O)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201260	1	40	-1.0	-57.67	370.37	-0.02	-57.69
CCCCC(=O)N1CSCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201261	0	43	-1.0	-53.27	384.99	3.66	-49.61
CCCCC(=O)N1CSCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201261	1	43	-1.0	-53.19	385.04	3.63	-49.56
CCC=C(C)C(=O)N1CSCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201262	0	44	-1.0	-54.23	383.71	3.73	-50.50
CCC=C(C)C(=O)N1CSCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201262	1	44	-1.0	-54.16	383.76	3.71	-50.45
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300020201263	0	41	-1.0	-47.39	372.20	4.66	-42.73
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300020201263	1	41	-1.0	-47.38	372.26	4.63	-42.75
CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)NC(=O)C1CCCCC1	REAL300020201264	0	48	-1.0	-51.67	404.45	2.59	-49.08
CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)NC(=O)C1CCCCC1	REAL300020201264	1	48	-1.0	-51.65	404.50	2.56	-49.09
O=C(CCC1=CC=CC=C1OC(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201265	0	39	-1.0	-44.58	369.05	3.40	-41.18
O=C(CCC1=CC=CC=C1OC(F)(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201265	1	39	-1.0	-44.56	369.10	3.38	-41.18
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C(C2=CC=CC=N2)S1	REAL300020201266	0	34	-1.0	-47.20	341.37	1.28	-45.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C(C2=CC=CC=N2)S1	REAL300020201266	1	34	-1.0	-47.17	341.42	1.25	-45.92
CC(C)OC1=CC=CC(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201267	0	43	-1.0	-46.24	382.00	4.10	-42.14
CC(C)OC1=CC=CC(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201267	1	43	-1.0	-46.20	382.06	4.07	-42.13
CC1=CC=CC=C1C1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020201268	0	38	-1.0	-46.16	365.50	3.60	-42.56
CC1=CC=CC=C1C1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020201268	1	38	-1.0	-46.12	365.55	3.57	-42.55
CCSC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)C	REAL300020201269	0	38	-1.0	-43.56	341.98	3.52	-40.04
CCSC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)C	REAL300020201269	1	38	-1.0	-43.49	342.04	3.49	-40.00
CC(C)(C)C1=CC=C(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201270	0	50	-1.0	-45.69	421.93	6.66	-39.03
CC(C)(C)C1=CC=C(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201270	1	50	-1.0	-45.66	421.98	6.63	-39.03
CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201271	0	42	-1.0	-46.01	366.76	-0.23	-46.24
CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201271	1	42	-1.0	-45.93	366.82	-0.26	-46.19
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201272	0	36	-1.0	-45.25	362.65	4.24	-41.01
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201272	1	36	-1.0	-45.19	362.70	4.21	-40.98
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CC(C)CC(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201276	1	40	-1.0	-43.44	337.98	3.01	-40.43
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COC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020201277	1	38	-1.0	-51.50	358.42	3.45	-48.05
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CNC(=O)C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020201281	0	33	-1.0	-46.25	313.72	-1.48	-47.73
CNC(=O)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020201281	1	33	-1.0	-46.21	313.77	-1.51	-47.72
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CCCN(CCC)C(=O)CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201285	0	47	-1.0	-46.71	404.98	3.47	-43.24
CCCN(CCC)C(=O)CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201285	1	47	-1.0	-46.65	405.03	3.44	-43.21
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC(C2=NNC=N2)=N1	REAL300020201286	0	34	-1.0	-50.98	339.07	0.67	-50.31
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC(C2=NNC=N2)=N1	REAL300020201286	1	34	-1.0	-50.93	339.12	0.64	-50.29
COC1=CC=CC=C1NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201287	0	38	-1.0	-46.70	344.12	0.45	-46.25
COC1=CC=CC=C1NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201287	1	38	-1.0	-46.63	344.17	0.42	-46.21
CC(C)(C)CC(=O)N1CSCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201288	0	46	-1.0	-51.61	395.19	3.85	-47.76
CC(C)(C)CC(=O)N1CSCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201288	1	46	-1.0	-51.54	395.24	3.82	-47.72
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CC1(C)CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C21	REAL300020201297	0	45	-1.0	-44.81	373.35	5.40	-39.41
CC1(C)CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C21	REAL300020201297	1	45	-1.0	-44.82	373.40	5.37	-39.45
CC1=CC=C(C)C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201298	0	38	-1.0	-45.61	341.02	3.90	-41.71
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CC(OC1=CC=CC=C1C(F)(F)F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201300	0	39	-1.0	-50.57	366.66	4.26	-46.31
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201300	1	39	-1.0	-50.50	366.72	4.23	-46.27
CC1CCN(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=N2)CC1	REAL300020201301	0	46	-1.0	-45.15	389.66	3.30	-41.85
CC1CCN(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=N2)CC1	REAL300020201301	1	46	-1.0	-45.21	389.60	3.33	-41.88
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CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2OCCOC2=C1	REAL300020201303	0	41	-1.0	-47.52	363.25	2.43	-45.09
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2OCCOC2=C1	REAL300020201303	1	41	-1.0	-47.47	363.30	2.41	-45.06
CC(C)CC(=O)NC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020201304	0	48	-1.0	-46.70	418.94	3.68	-43.02
CC(C)CC(=O)NC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020201304	1	48	-1.0	-46.66	418.99	3.65	-43.01
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CN1N=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C(F)F	REAL300020201306	1	32	-1.0	-46.50	305.73	0.44	-46.06
CC(C)CCC(=O)NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201307	0	41	-1.0	-46.01	362.36	0.31	-45.70
CC(C)CCC(=O)NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201307	1	41	-1.0	-45.96	362.41	0.28	-45.68
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201308	0	40	-2.0	-106.67	366.22	-0.05	-106.72
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201308	1	40	-2.0	-106.61	366.27	-0.08	-106.69
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201308	1	41	-1.0	-56.19	369.18	0.79	-55.40
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201308	1	41	-1.0	-56.11	369.23	0.76	-55.35
O=C(COCC(=O)NCC1=CC=CN=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201309	0	42	-1.0	-57.94	392.34	0.54	-57.40
O=C(COCC(=O)NCC1=CC=CN=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201309	1	42	-1.0	-57.98	392.29	0.57	-57.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(CN2CCOCC2)=C1	REAL300020201310	0	45	-1.0	-46.02	386.18	0.97	-45.05
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(CN2CCOCC2)=C1	REAL300020201310	1	45	-1.0	-45.97	386.24	0.94	-45.03
CCC[NH+](CCC)CCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201311	0	49	0.0	-66.29	396.49	4.41	-61.88
CCC[NH+](CCC)CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201311	1	49	0.0	-66.27	396.54	4.38	-61.89
CCN(C)C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020201312	0	43	-1.0	-44.34	371.72	2.70	-41.64
CC[N@H+](C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020201312	1	44	0.0	-56.72	371.89	4.58	-52.14
CC[N@@H+](C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020201312	1	44	0.0	-61.34	371.85	4.57	-56.77
CCN(C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020201312	1	43	-1.0	-44.34	371.77	2.67	-41.67
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O=C(CC1=CSC(C2=NNC=N2)=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201313	1	34	-1.0	-56.58	343.36	0.76	-55.82
CC(=O)NCC(=O)N1CCCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201314	0	43	-1.0	-54.99	382.65	-0.18	-55.17
CC(=O)NCC(=O)N1CCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201314	1	43	-1.0	-54.93	382.71	-0.21	-55.14
CC(C)COC1=NC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201315	0	41	-1.0	-48.26	366.74	2.39	-45.87
CC(C)COC1=NC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201315	1	41	-1.0	-48.30	366.69	2.42	-45.88
N#CC1=CC=C(N2CCCC2C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201316	0	42	-1.0	-44.75	370.90	2.55	-42.20
N#CC1=CC=C(N2CCCC2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201316	1	42	-1.0	-44.70	370.95	2.52	-42.18
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201317	0	49	-1.0	-44.16	402.31	0.15	-44.01
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CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020201357	0	49	-1.0	-46.02	404.98	1.52	-44.50
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020201357	1	49	-1.0	-45.92	405.04	1.49	-44.43
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C(F)F)=C1	REAL300020201418	1	32	-1.0	-48.95	312.42	2.97	-45.98
CC1=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)N2N=CC=C2N1	REAL300020201419	0	38	-1.0	-60.50	351.04	0.95	-59.55
CC1=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)N2N=CC=C2N1	REAL300020201419	1	38	-1.0	-60.50	351.09	0.92	-59.58
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)N1CC1CC1	REAL300020201420	0	43	-1.0	-46.68	376.60	5.07	-41.61
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)N1CC1CC1	REAL300020201420	1	43	-1.0	-46.60	376.65	5.04	-41.56
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=NOC=N2)C=C1	REAL300020201421	0	34	-1.0	-48.91	328.48	0.62	-48.29
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=NOC=N2)C=C1	REAL300020201421	1	34	-1.0	-48.96	328.43	0.65	-48.31
O=C(CC1CCC(=O)N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201422	0	33	-1.0	-52.62	304.01	-1.50	-54.12
O=C(CC1CCC(=O)N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201422	1	33	-1.0	-52.51	304.06	-1.52	-54.03
O=C(CC1=CC=CC=C1C(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201423	0	35	-1.0	-48.56	331.93	3.41	-45.15
O=C(CC1=CC=CC=C1C(F)(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201423	1	35	-1.0	-48.55	331.98	3.38	-45.17
O=C(CCCC1=CC=C2NC(=O)CC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201424	0	43	-1.0	-49.77	387.82	2.79	-46.98
O=C(CCCC1=CC=C2NC(=O)CC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201424	1	43	-1.0	-49.68	387.87	2.76	-46.92
CCC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020201425	0	41	-1.0	-44.98	356.37	4.57	-40.41
CCC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020201425	1	41	-1.0	-44.95	356.42	4.54	-40.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC2=CC=CC=C21	REAL300020201426	0	36	-1.0	-44.68	323.75	3.83	-40.85
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC2=CC=CC=C21	REAL300020201426	1	36	-1.0	-44.62	323.81	3.80	-40.82
O=C(CN1N=CC2=CC=CC=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201427	0	35	-1.0	-51.41	331.57	2.31	-49.10
O=C(CN1N=CC2=CC=CC=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201427	1	35	-1.0	-51.47	331.52	2.34	-49.13
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2CCCC2)C(F)=C1	REAL300020201428	0	41	-1.0	-45.28	358.41	2.46	-42.82
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2CCCC2)C(F)=C1	REAL300020201428	1	41	-1.0	-45.23	358.46	2.43	-42.80
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2CCOCC2)C(F)=C1	REAL300020201429	0	42	-1.0	-45.00	372.03	1.20	-43.80
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2CCOCC2)C(F)=C1	REAL300020201429	1	42	-1.0	-44.96	372.08	1.17	-43.79
O=C(CCCC1=CC=C2NC(=O)NC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201430	0	42	-1.0	-51.01	381.52	1.15	-49.86
O=C(CCCC1=CC=C2NC(=O)NC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201430	1	42	-1.0	-50.99	381.57	1.12	-49.87
CC1=CC=CC=C1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201431	0	38	-1.0	-44.50	339.57	4.02	-40.48
CC1=CC=CC=C1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201431	1	38	-1.0	-44.48	339.62	3.99	-40.49
COC(=O)NCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201432	0	33	-1.0	-50.42	314.45	-2.52	-52.94
COC(=O)NCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201432	1	33	-1.0	-50.37	314.51	-2.55	-52.92
CCN(CC)C(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201433	0	45	-1.0	-47.38	390.41	3.84	-43.54
CCN(CC)C(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201433	1	45	-1.0	-47.30	390.46	3.81	-43.49
CCN(C)C(=O)C1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201434	0	42	-1.0	-53.04	372.18	2.92	-50.12
CCN(C)C(=O)C1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201434	1	42	-1.0	-52.98	372.23	2.90	-50.08
CCCN(CC)C(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201435	0	48	-1.0	-47.50	410.68	4.56	-42.94
CCCN(CC)C(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201435	1	48	-1.0	-47.44	410.73	4.54	-42.90
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201436	0	38	-1.0	-42.94	370.76	4.96	-37.98
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201436	1	38	-1.0	-42.88	370.81	4.93	-37.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NNC2=CC=CC=C2C1=O	REAL300020201437	0	34	-1.0	-55.56	325.49	1.96	-53.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NNC2=CC=CC=C2C1=O	REAL300020201437	1	34	-1.0	-55.54	325.54	1.93	-53.61
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)N=C1	REAL300020201438	0	28	-1.0	-44.78	279.66	0.20	-44.58
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(F)N=C1	REAL300020201438	1	28	-1.0	-44.77	279.61	0.23	-44.54
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(C=CS2)N1	REAL300020201439	0	30	-1.0	-45.09	302.08	1.05	-44.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(C=CS2)N1	REAL300020201439	1	30	-1.0	-45.08	302.13	1.02	-44.06
COC(=O)NC(C)(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201440	0	36	-1.0	-43.69	324.18	-1.73	-45.42
COC(=O)NC(C)(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201440	1	36	-1.0	-43.62	324.23	-1.75	-45.37
O=C(CCCC1=CC=CC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201441	0	37	-1.0	-48.49	339.91	2.55	-45.94
O=C(CCCC1=CC=CC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201441	1	37	-1.0	-48.44	339.97	2.52	-45.92
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C(=O)NC2CC2)CCC1	REAL300020201442	0	40	-1.0	-45.38	359.22	0.71	-44.67
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C(=O)NC2CC2)CCC1	REAL300020201442	1	40	-1.0	-45.38	359.28	0.68	-44.70
O=C(CNC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201443	0	37	-1.0	-45.27	354.77	2.05	-43.22
O=C(CNC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201443	1	37	-1.0	-45.19	354.83	2.02	-43.17
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(OC(F)F)C=CS1	REAL300020201444	0	30	-1.0	-47.85	308.24	1.63	-46.22
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(OC(F)F)C=CS1	REAL300020201444	1	30	-1.0	-47.83	308.29	1.60	-46.23
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2NC=CC2=C1	REAL300020201445	0	33	-1.0	-48.08	309.51	2.11	-45.97
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2NC=CC2=C1	REAL300020201445	1	33	-1.0	-48.08	309.56	2.08	-46.00
O=C(CC1=CC=CC(OC(F)F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201446	0	36	-1.0	-49.21	342.10	2.33	-46.88
O=C(CC1=CC=CC(OC(F)F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201446	1	36	-1.0	-49.16	342.15	2.30	-46.86
COC(=O)NCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201447	0	36	-1.0	-48.45	335.95	-1.71	-50.16
COC(=O)NCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201447	1	36	-1.0	-48.42	336.01	-1.75	-50.17
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CCN(C)CC1	REAL300020201448	0	42	-1.0	-44.58	346.45	-2.32	-46.90
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CCN(C)CC1	REAL300020201448	1	42	-1.0	-44.53	346.51	-2.34	-46.87
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CC[NH+](C)CC1	REAL300020201448	1	43	0.0	-65.99	351.67	0.32	-65.67
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CC[NH+](C)CC1	REAL300020201448	1	43	0.0	-65.88	351.72	0.29	-65.59
COC(=O)N(C)CCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201449	0	39	-1.0	-52.84	355.59	0.87	-51.97
COC(=O)N(C)CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201449	1	39	-1.0	-52.81	355.65	0.85	-51.96
COC1=CC=C(NC(=O)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201450	0	37	-1.0	-46.38	344.89	-0.39	-46.77
COC1=CC=C(NC(=O)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201450	1	37	-1.0	-46.32	344.94	-0.42	-46.74
O=C(CNC(=O)N1CCC2=CC=CC=C2C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201451	0	45	-1.0	-47.45	393.49	2.51	-44.94
O=C(CNC(=O)N1CCC2=CC=CC=C2C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201451	1	45	-1.0	-47.42	393.55	2.48	-44.94
CN1C=C(C2=NC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)S2)C=N1	REAL300020201452	0	35	-1.0	-47.62	349.89	0.74	-46.88
CN1C=C(C2=NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)S2)C=N1	REAL300020201452	1	35	-1.0	-47.65	349.83	0.77	-46.88
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(C2=CC(F)=CC=C2F)=NO1	REAL300020201453	0	37	-1.0	-51.68	357.24	3.61	-48.07
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(C2=CC(F)=CC=C2F)=NO1	REAL300020201453	1	37	-1.0	-51.67	357.29	3.59	-48.08
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(=O)N(C2=CC=C(F)C=C2)C1	REAL300020201454	0	40	-1.0	-49.43	363.41	3.06	-46.37
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(=O)N(C2=CC=C(F)C=C2)C1	REAL300020201454	1	40	-1.0	-49.40	363.47	3.03	-46.37
O=C(CN1N=CC2=C1N=CNC2=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201455	0	34	-1.0	-58.75	331.32	0.04	-58.71
O=C(CN1N=CC2=C1N=CNC2=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201455	1	34	-1.0	-58.73	331.37	0.01	-58.72
CN1C=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1=O	REAL300020201456	0	32	-1.0	-57.94	301.01	1.14	-56.80
CN1C=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1=O	REAL300020201456	1	32	-1.0	-57.96	301.06	1.11	-56.85
CC1=CC=C2OC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=N1	REAL300020201457	0	34	-1.0	-47.42	325.89	1.25	-46.17
CC1=CC=C2OC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=N1	REAL300020201457	1	34	-1.0	-47.36	325.94	1.22	-46.14
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC1C1=CC=C(Cl)C=C1Cl	REAL300020201458	0	36	-1.0	-44.91	361.73	5.02	-39.89
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC1C1=CC=C(Cl)C=C1Cl	REAL300020201458	1	36	-1.0	-44.88	361.78	4.99	-39.89
CSC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC=C1	REAL300020201459	0	30	-1.0	-46.65	307.54	2.07	-44.58
CSC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=C1	REAL300020201459	1	30	-1.0	-46.68	307.59	2.04	-44.64
CC(C)COC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201460	0	45	-1.0	-46.74	395.80	4.47	-42.27
CC(C)COC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201460	1	45	-1.0	-46.70	395.85	4.44	-42.26
CC1=NNC(C)=C1C(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201461	0	38	-1.0	-47.62	333.15	0.64	-46.98
CC1=NNC(C)=C1C(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201461	1	38	-1.0	-47.61	333.20	0.61	-47.00
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CCC2=CC=CC=C2C1	REAL300020201462	0	44	-1.0	-44.46	368.20	2.20	-42.26
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CCC2=CC=CC=C2C1	REAL300020201462	1	44	-1.0	-44.42	368.25	2.18	-42.24
C#CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020201463	0	30	-1.0	-47.24	300.55	1.36	-45.88
C#CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020201463	1	30	-1.0	-47.20	300.60	1.33	-45.87
O=C(CC1=CCCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201464	0	36	-1.0	-44.43	318.72	2.97	-41.46
O=C(CC1=CCCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201464	1	36	-1.0	-44.39	318.77	2.94	-41.45
CS(=O)(=O)NC1=CC=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201465	0	40	-1.0	-52.67	376.43	-0.54	-53.21
CS(=O)(=O)NC1=CC=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201465	1	40	-1.0	-52.59	376.48	-0.57	-53.16
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201466	0	49	-1.0	-52.22	402.34	3.52	-48.70
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201466	1	49	-1.0	-52.17	402.39	3.50	-48.67
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201467	0	49	-1.0	-48.14	402.18	3.54	-44.60
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201467	1	49	-1.0	-48.14	402.23	3.51	-44.63
COC1=CC=CC=C1CC(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201468	0	45	-1.0	-46.61	382.77	4.29	-42.32
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CCOC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C	REAL300020201500	0	39	-1.0	-44.84	349.52	3.04	-41.80
CCOC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C	REAL300020201500	1	39	-1.0	-44.80	349.57	3.01	-41.79
COC1=CC=CC(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CCCC2)=C1	REAL300020201501	0	46	-1.0	-45.66	387.18	4.64	-41.02
COC1=CC=CC(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CCCC2)=C1	REAL300020201501	1	46	-1.0	-45.69	387.23	4.61	-41.08
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CC(C)(C)OC(=O)NCCOCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201503	0	46	-1.0	-51.19	403.84	-0.07	-51.26
CC(C)(C)OC(=O)NCCOCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201503	1	46	-1.0	-51.16	403.89	-0.10	-51.26
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CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)C1=CC=CC=C1	REAL300020201507	0	40	-1.0	-45.56	359.93	3.88	-41.68
CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)C1=CC=CC=C1	REAL300020201507	1	40	-1.0	-45.53	359.98	3.85	-41.68
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CC(C)COC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201510	0	42	-1.0	-48.08	369.00	5.01	-43.07
CC(C)COC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201510	1	42	-1.0	-48.07	369.05	4.98	-43.09
CCOC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1Cl	REAL300020201511	0	35	-1.0	-43.82	343.28	0.25	-43.57
CCOC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1Cl	REAL300020201511	1	35	-1.0	-43.86	343.23	0.28	-43.58
CS(=O)(=O)CCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201512	0	34	-1.0	-57.70	327.96	-1.92	-59.62
CS(=O)(=O)CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201512	1	34	-1.0	-57.71	328.01	-1.95	-59.66
CCCC(CC1CCCCC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201513	0	50	-1.0	-43.46	398.60	5.51	-37.95
CCCC(CC1CCCCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201513	1	50	-1.0	-43.39	398.65	5.48	-37.91
CC1=NN(C)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201514	0	32	-1.0	-47.36	301.35	0.43	-46.93
CC1=NN(C)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201514	1	32	-1.0	-47.30	301.41	0.40	-46.90
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CSC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020201517	0	30	-1.0	-43.61	305.69	1.25	-42.36
CSC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020201517	1	30	-1.0	-43.57	305.74	1.22	-42.35
CCC(C)C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020201518	0	44	-1.0	-44.24	366.41	4.82	-39.42
CCC(C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020201518	1	44	-1.0	-44.18	366.46	4.79	-39.39
CC(CC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201519	0	38	-1.0	-44.14	339.60	4.03	-40.11
CC(CC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201519	1	38	-1.0	-44.11	339.65	4.00	-40.11
CC1(C)CCC(C)(C)C2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C21	REAL300020201520	0	51	-1.0	-44.57	407.71	6.23	-38.34
CC1(C)CCC(C)(C)C2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C21	REAL300020201520	1	51	-1.0	-44.51	407.76	6.20	-38.31
CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)N(C)C1=O	REAL300020201521	0	35	-1.0	-51.16	324.93	0.59	-50.57
CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)N(C)C1=O	REAL300020201521	1	35	-1.0	-51.11	324.98	0.56	-50.55
CC(OC1=CC=C(F)C=C1Cl)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201522	0	36	-1.0	-47.61	351.63	3.82	-43.79
CC(OC1=CC=C(F)C=C1Cl)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201522	1	36	-1.0	-47.57	351.68	3.79	-43.78
CN1C(=O)C(=O)N(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1=O	REAL300020201523	0	33	-1.0	-50.16	327.57	-0.96	-51.12
CN1C(=O)C(=O)N(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1=O	REAL300020201523	1	33	-1.0	-50.13	327.62	-0.99	-51.12
COC1=C(OC)C=C2NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=C1	REAL300020201524	0	41	-1.0	-47.07	370.63	1.21	-45.86
COC1=C(OC)C=C2NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=C1	REAL300020201524	1	41	-1.0	-47.04	370.68	1.18	-45.86
O=C(CC1=CC=C(Br)S1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201525	0	29	-1.0	-44.52	314.74	2.59	-41.93
O=C(CC1=CC=C(Br)S1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201525	1	29	-1.0	-44.50	314.79	2.56	-41.94
CCN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020201526	0	32	-1.0	-47.19	304.83	0.66	-46.53
CCN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020201526	1	32	-1.0	-47.24	304.77	0.69	-46.55
COC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020201527	0	31	-1.0	-45.37	300.29	-3.28	-48.65
COC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020201527	1	31	-1.0	-45.38	300.24	-3.24	-48.62
O=C(CCCN1C=CC=CC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201528	0	38	-1.0	-54.32	349.53	2.62	-51.70
O=C(CCCN1C=CC=CC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201528	1	38	-1.0	-54.28	349.58	2.59	-51.69
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(N2C=CC=N2)=C1	REAL300020201529	0	36	-1.0	-52.04	336.59	3.23	-48.81
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(N2C=CC=N2)=C1	REAL300020201529	1	36	-1.0	-52.10	336.54	3.26	-48.84
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[NH+]1CCCCCC1	REAL300020201530	0	44	0.0	-60.81	342.95	3.13	-57.68
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CCCCCC1	REAL300020201530	1	43	-1.0	-43.63	339.83	0.73	-42.90
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CCCCCC1	REAL300020201530	1	43	-1.0	-43.60	339.89	0.70	-42.90
O=C(CC1=CC=C(Cl)N=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201531	0	31	-1.0	-47.23	314.60	1.36	-45.87
O=C(CC1=CC=C(Cl)N=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201531	1	31	-1.0	-47.28	314.55	1.38	-45.90
COCCOC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201532	0	40	-1.0	-46.93	363.10	1.57	-45.36
COCCOC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201532	1	40	-1.0	-46.84	363.15	1.56	-45.28
CCN1N=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CC1=O	REAL300020201533	0	34	-1.0	-45.26	322.52	0.08	-45.18
CCN1N=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CC1=O	REAL300020201533	1	34	-1.0	-45.15	322.57	0.05	-45.10
CN1CCCCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201534	0	37	-1.0	-43.79	317.41	-0.14	-43.93
CN1CCCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201534	1	37	-1.0	-43.80	317.46	-0.17	-43.97
C[N@@H+]1CCCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201534	1	38	0.0	-61.39	320.43	2.04	-59.35
C[N@H+]1CCCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201534	1	38	0.0	-58.19	320.39	2.04	-56.15
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(O)C1=CC=CC=C1	REAL300020201535	0	33	-1.0	-44.76	310.94	0.80	-43.96
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(O)C1=CC=CC=C1	REAL300020201535	1	33	-1.0	-44.73	310.99	0.77	-43.96
CCCCCC(O)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201536	0	41	-1.0	-46.72	359.49	1.25	-45.47
CCCCCC(O)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201536	1	41	-1.0	-46.67	359.54	1.22	-45.45
CC1=CC(OC(F)F)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020201537	0	33	-1.0	-47.91	330.03	2.41	-45.50
CC1=CC(OC(F)F)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020201537	1	33	-1.0	-47.84	330.08	2.39	-45.45
CC1CCCCC1OCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201538	0	42	-1.0	-46.42	357.03	3.49	-42.93
CC1CCCCC1OCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201538	1	42	-1.0	-46.36	357.06	3.46	-42.90
CC(CSC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201539	0	39	-1.0	-44.34	360.44	4.59	-39.75
CC(CSC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201539	1	39	-1.0	-44.24	360.50	4.56	-39.68
O=C(CC1=CC=CC=C1OC(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201540	0	36	-1.0	-48.77	340.90	2.38	-46.39
O=C(CC1=CC=CC=C1OC(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201540	1	36	-1.0	-48.71	340.96	2.36	-46.35
O=C(CC1CCOCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201541	0	36	-1.0	-44.12	313.74	0.62	-43.50
O=C(CC1CCOCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201541	1	36	-1.0	-44.10	313.79	0.59	-43.51
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201542	0	48	-1.0	-45.47	416.52	3.45	-42.02
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201542	1	48	-1.0	-45.37	416.57	3.41	-41.96
CC1CCC(N2CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CC2=O)CC1	REAL300020201543	0	49	-1.0	-49.17	405.11	3.68	-45.49
CC1CCC(N2CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CC2=O)CC1	REAL300020201543	1	49	-1.0	-49.14	405.18	3.65	-45.49
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300020201544	0	39	-1.0	-51.21	369.65	1.44	-49.77
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300020201544	1	39	-1.0	-51.16	369.70	1.41	-49.75
CCC(CC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201545	0	41	-1.0	-43.78	360.50	4.58	-39.20
CCC(CC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201545	1	41	-1.0	-43.73	360.55	4.55	-39.18
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC(C2=COC=C2)=N1	REAL300020201546	0	32	-1.0	-47.03	328.65	0.84	-46.19
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC(C2=COC=C2)=N1	REAL300020201546	1	32	-1.0	-47.04	328.60	0.87	-46.17
CCCC(CC1CCCC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201547	0	47	-1.0	-42.94	370.82	4.77	-38.17
CCCC(CC1CCCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201547	1	47	-1.0	-42.92	370.87	4.75	-38.17
CC(C)C1=CC=C(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CCCC2)C=C1	REAL300020201548	0	51	-1.0	-46.36	416.55	7.33	-39.03
CC(C)C1=CC=C(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CCCC2)C=C1	REAL300020201548	1	51	-1.0	-46.36	416.60	7.30	-39.06
CC1=CC=CC=C1N1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020201549	0	39	-1.0	-47.22	354.85	4.13	-43.09
CC1=CC=CC=C1N1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020201549	1	39	-1.0	-47.25	354.80	4.15	-43.10
CC1=NN(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2F)C(C)=C1	REAL300020201550	0	42	-1.0	-49.33	385.64	4.46	-44.87
CC1=NN(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2F)C(C)=C1	REAL300020201550	1	42	-1.0	-49.29	385.67	4.43	-44.86
CC1=NC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201551	0	31	-1.0	-44.96	289.54	0.95	-44.01
CC1=NC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201551	1	31	-1.0	-44.87	289.59	0.92	-43.95
COC(=O)NC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)C	REAL300020201552	0	39	-1.0	-43.62	344.38	-0.77	-44.39
COC(=O)NC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)C	REAL300020201552	1	39	-1.0	-43.59	344.43	-0.80	-44.39
COC1=CC=C(C=O)C(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201553	0	39	-1.0	-56.66	362.19	2.69	-53.97
COC1=CC=C(C=O)C(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201553	1	39	-1.0	-56.65	362.24	2.66	-53.99
COC1=CC=CC=C1CC(C)(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201554	0	45	-1.0	-44.90	378.67	3.95	-40.95
COC1=CC=CC=C1CC(C)(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201554	1	45	-1.0	-44.84	378.70	3.92	-40.92
O=C(C=CC1=CC=C(N2CCOCC2)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201555	0	46	-1.0	-46.42	396.46	2.08	-44.34
O=C(C=CC1=CC=C(N2CCOCC2)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201555	1	46	-1.0	-46.34	396.51	2.05	-44.29
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300020201556	0	46	-1.0	-51.84	394.20	3.81	-48.03
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300020201556	1	46	-1.0	-51.85	394.25	3.79	-48.06
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201557	0	38	-1.0	-49.80	365.14	1.39	-48.41
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201557	1	38	-1.0	-49.83	365.09	1.42	-48.41
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1F	REAL300020201558	0	35	-1.0	-43.97	323.80	3.31	-40.66
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1F	REAL300020201558	1	35	-1.0	-43.95	323.85	3.28	-40.67
CN1C=C(C2=CN=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)C=N1	REAL300020201559	0	38	-1.0	-50.03	353.53	1.58	-48.45
CN1C=C(C2=CN=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)C=N1	REAL300020201559	1	38	-1.0	-49.96	353.58	1.55	-48.41
CC(C)(CCCC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201560	0	47	-1.0	-44.40	398.39	6.06	-38.34
CC(C)(CCCC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201560	1	47	-1.0	-44.35	398.44	6.03	-38.32
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2CCC(O)CC2)C=C1	REAL300020201561	0	45	-1.0	-46.65	382.01	-0.02	-46.67
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2CCC(O)CC2)C=C1	REAL300020201561	1	45	-1.0	-46.60	382.06	-0.04	-46.64
CC(C)C1=NC=CN1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201562	0	41	-1.0	-46.48	366.47	3.15	-43.33
CC(C)C1=NC=CN1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201562	1	41	-1.0	-46.38	366.52	3.12	-43.26
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201562	1	42	0.0	-59.23	363.87	3.61	-55.62
C[NH+](C)CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)OC2=CC=CC=C21	REAL300020201563	0	44	0.0	-62.46	377.65	4.29	-58.17
C[NH+](C)CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)OC2=CC=CC=C21	REAL300020201563	1	44	0.0	-62.37	377.70	4.26	-58.11
CC(C)(C)CNC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201564	0	48	-1.0	-47.42	413.50	3.43	-43.99
CC(C)(C)CNC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201564	1	48	-1.0	-47.43	413.55	3.40	-44.03
CC1=CC(=O)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CN1	REAL300020201565	0	32	-1.0	-59.52	302.52	0.61	-58.91
CC1=CC(=O)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CN1	REAL300020201565	1	32	-1.0	-59.50	302.57	0.58	-58.92
COC1=CC=CC(F)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201566	0	33	-1.0	-49.13	317.43	1.32	-47.81
COC1=CC=CC(F)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201566	1	33	-1.0	-49.09	317.48	1.29	-47.80
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC(C2=CN(C)N=C2)=N1	REAL300020201567	0	38	-1.0	-47.45	366.96	1.35	-46.10
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC(C2=CN(C)N=C2)=N1	REAL300020201567	1	38	-1.0	-47.49	366.91	1.38	-46.11
O=CNC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020201568	0	33	-1.0	-52.37	312.70	0.24	-52.13
O=CNC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020201568	1	33	-1.0	-52.31	312.75	0.23	-52.08
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201569	0	50	-1.0	-44.54	408.01	2.12	-42.42
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201569	1	50	-1.0	-44.56	408.06	2.09	-42.47
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(Cl)=C1	REAL300020201570	0	38	-1.0	-46.22	350.20	4.17	-42.05
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(Cl)=C1	REAL300020201570	1	38	-1.0	-46.23	350.26	4.15	-42.08
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCN(C(=O)C2=CC=NC=C2)C1	REAL300020201571	0	45	-1.0	-51.38	390.71	2.08	-49.30
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCN(C(=O)C2=CC=NC=C2)C1	REAL300020201571	1	45	-1.0	-51.48	390.66	2.11	-49.37
CCN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)OC(C)(C)C	REAL300020201572	0	45	-1.0	-52.08	384.84	2.71	-49.37
CCN(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)OC(C)(C)C	REAL300020201572	1	45	-1.0	-52.05	384.88	2.68	-49.37
CC(C)(C)OC(=O)N1CCOCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201573	0	47	-1.0	-47.47	393.50	1.11	-46.36
CC(C)(C)OC(=O)N1CCOCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201573	1	47	-1.0	-47.46	393.55	1.08	-46.38
CC1=NN=C(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)O1	REAL300020201574	0	37	-1.0	-48.27	351.03	-1.27	-49.54
CC1=NN=C(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)O1	REAL300020201574	1	37	-1.0	-48.26	351.08	-1.30	-49.56
O=C(CC1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201575	0	34	-1.0	-51.94	331.05	3.42	-48.52
O=C(CC1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201575	1	34	-1.0	-51.91	331.11	3.39	-48.52
CC1=NNC(C)=C1CC(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201576	0	41	-1.0	-45.69	356.55	1.40	-44.29
CC1=NNC(C)=C1CC(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201576	1	41	-1.0	-45.65	356.61	1.37	-44.28
CC1=CC=NC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201577	0	31	-1.0	-45.13	289.47	0.98	-44.15
CC1=CC=NC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201577	1	31	-1.0	-45.09	289.52	0.95	-44.14
CC(C)(C)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NO1	REAL300020201578	0	37	-1.0	-44.92	340.07	2.03	-42.89
CC(C)(C)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NO1	REAL300020201578	1	37	-1.0	-44.97	340.01	2.06	-42.91
COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1	REAL300020201579	0	36	-1.0	-44.26	323.68	2.06	-42.20
COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1	REAL300020201579	1	36	-1.0	-44.28	323.73	2.03	-42.25
COC1=CC=C2SC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C(C)C2=C1	REAL300020201580	0	39	-1.0	-45.57	361.45	3.37	-42.20
COC1=CC=C2SC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C(C)C2=C1	REAL300020201580	1	39	-1.0	-45.55	361.50	3.34	-42.21
CC1=NC(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)=NN1	REAL300020201581	0	38	-1.0	-49.43	355.24	2.79	-46.64
CC1=NC(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)=NN1	REAL300020201581	1	38	-1.0	-49.41	355.29	2.76	-46.65
CCN1CCOC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020201582	0	38	-1.0	-45.83	329.93	-0.82	-46.65
CCN1CCOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020201582	1	38	-1.0	-45.79	329.98	-0.85	-46.64
CC[N@@H+]1CCOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020201582	1	39	0.0	-65.99	333.62	1.55	-64.44
CC[N@H+]1CCOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020201582	1	39	0.0	-70.90	333.62	1.55	-69.35
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=CC=C2)=NS1	REAL300020201583	0	35	-1.0	-45.02	343.11	3.24	-41.78
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=CC=C2)=NS1	REAL300020201583	1	35	-1.0	-45.08	343.06	3.27	-41.81
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)C=C(F)C=C1F	REAL300020201584	0	29	-1.0	-44.82	300.90	2.09	-42.73
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C=C(F)C=C1F	REAL300020201584	1	29	-1.0	-44.80	300.95	2.06	-42.74
CC1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020201585	0	38	-1.0	-43.48	324.84	2.93	-40.55
CC1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020201585	1	38	-1.0	-43.47	324.90	2.90	-40.57
CC1=CC=C([N+](=O)[O-])C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201586	0	34	-1.0	-52.03	323.94	4.42	-47.61
CC1=CC=C([N+](=O)[O-])C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201586	1	34	-1.0	-52.02	323.99	4.38	-47.64
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)NCC1=CC=C(F)C=C1	REAL300020201587	0	36	-1.0	-44.86	347.91	0.51	-44.35
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)NCC1=CC=C(F)C=C1	REAL300020201587	1	36	-1.0	-44.83	347.96	0.48	-44.35
CCC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CCCC1=O	REAL300020201588	0	39	-1.0	-55.56	341.97	2.75	-52.81
CCC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CCCC1=O	REAL300020201588	1	39	-1.0	-55.52	342.03	2.72	-52.80
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)OC(C2=CC=CC=C2)=N1	REAL300020201589	0	38	-1.0	-45.34	356.39	1.21	-44.13
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)OC(C2=CC=CC=C2)=N1	REAL300020201589	1	38	-1.0	-45.31	356.34	1.24	-44.07
CC(C)C(CC1CCCCC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201590	0	50	-1.0	-42.81	393.05	5.66	-37.15
CC(C)C(CC1CCCCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201590	1	50	-1.0	-42.79	393.10	5.64	-37.15
CCN1N=C(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1Cl	REAL300020201591	0	35	-1.0	-45.93	344.49	1.56	-44.37
CCN1N=C(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1Cl	REAL300020201591	1	35	-1.0	-45.86	344.54	1.53	-44.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020201592	0	41	0.0	-69.79	367.71	3.08	-66.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020201592	1	41	0.0	-69.83	367.66	3.10	-66.73
CC(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=CO1	REAL300020201593	0	34	-1.0	-46.29	316.76	-1.14	-47.43
CC(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=CO1	REAL300020201593	1	34	-1.0	-46.36	316.71	-1.11	-47.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=CC=CC=C2)N1	REAL300020201594	0	37	-1.0	-45.47	343.30	3.41	-42.06
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=CC=CC=C2)N1	REAL300020201594	1	37	-1.0	-45.47	343.35	3.38	-42.09
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC1C1=C(F)C=CC=C1F	REAL300020201595	0	36	-1.0	-45.77	335.15	4.05	-41.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC1C1=C(F)C=CC=C1F	REAL300020201595	1	36	-1.0	-45.75	335.19	4.02	-41.73
CN(C)C(=O)CCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201596	0	38	-1.0	-54.19	341.33	0.82	-53.37
CN(C)C(=O)CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201596	1	38	-1.0	-54.16	341.38	0.79	-53.37
CC1=NN(CCCl)C(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201597	0	38	-1.0	-47.55	365.48	2.28	-45.27
CC1=NN(CCCl)C(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201597	1	38	-1.0	-47.45	365.53	2.25	-45.20
CC1=CC=C(N2C=CN=C2)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201598	0	39	-1.0	-49.06	354.08	5.00	-44.06
CC1=CC=C(N2C=CN=C2)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201598	1	39	-1.0	-48.99	354.13	4.98	-44.01
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC1=CC=NC=C1	REAL300020201599	0	42	-1.0	-47.46	383.47	3.91	-43.55
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC1=CC=NC=C1	REAL300020201599	1	42	-1.0	-47.38	383.52	3.88	-43.50
CC1=NN(C)C=C1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201600	0	38	-1.0	-47.65	347.20	1.86	-45.79
CC1=NN(C)C=C1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201600	1	38	-1.0	-47.61	347.25	1.83	-45.78
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(C2CCCO2)OC=N1	REAL300020201601	0	36	-1.0	-47.07	332.07	-2.26	-49.33
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(C2CCCO2)OC=N1	REAL300020201601	1	36	-1.0	-47.05	332.02	-2.23	-49.28
CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(F)=C1	REAL300020201602	0	38	-1.0	-45.86	344.08	4.05	-41.81
CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(F)=C1	REAL300020201602	1	38	-1.0	-45.86	344.13	4.03	-41.83
CCC(CC1CCCCC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201603	0	47	-1.0	-43.00	377.84	4.64	-38.36
CCC(CC1CCCCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201603	1	47	-1.0	-42.93	377.89	4.61	-38.32
CC1=NC(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020201604	0	34	-1.0	-46.16	330.48	1.28	-44.88
CC1=NC(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020201604	1	34	-1.0	-46.10	330.54	1.25	-44.85
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201605	0	43	-1.0	-46.80	393.04	3.51	-43.29
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201605	1	43	-1.0	-46.71	393.09	3.48	-43.23
CC(=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1C	REAL300020201606	0	39	-1.0	-43.82	348.98	4.54	-39.28
CC(=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1C	REAL300020201606	1	39	-1.0	-43.77	349.04	4.51	-39.26
O=C(COC1CCOCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201607	0	37	-1.0	-48.14	330.49	0.35	-47.79
O=C(COC1CCOCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201607	1	37	-1.0	-48.06	330.55	0.32	-47.74
CCCCC(CC)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201608	0	43	-1.0	-43.44	356.37	3.84	-39.60
CCCCC(CC)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201608	1	43	-1.0	-43.40	356.42	3.81	-39.59
O=C(C=CC1=CSC(Br)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201609	0	30	-1.0	-44.19	324.49	2.94	-41.25
O=C(C=CC1=CSC(Br)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201609	1	30	-1.0	-44.15	324.55	2.91	-41.24
CN(C)S(=O)(=O)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC=C1	REAL300020201610	0	37	-1.0	-55.97	361.80	0.25	-55.72
CN(C)S(=O)(=O)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=C1	REAL300020201610	1	37	-1.0	-55.95	361.85	0.22	-55.73
O=C(CC1CCC2=CC=CC=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201611	0	39	-1.0	-44.40	344.27	4.50	-39.90
O=C(CC1CCC2=CC=CC=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201611	1	39	-1.0	-44.35	344.33	4.48	-39.87
CC1CCCC(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020201612	0	42	-1.0	-46.61	358.06	3.44	-43.17
CC1CCCC(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020201612	1	42	-1.0	-46.53	358.11	3.42	-43.11
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=NC(N2CCCC2)=C1	REAL300020201613	0	40	-1.0	-43.45	369.39	2.39	-41.06
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=NC(N2CCCC2)=C1	REAL300020201613	1	40	-1.0	-43.51	369.34	2.42	-41.09
CC1=CC=CC=C1C(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201614	0	41	-1.0	-44.12	355.17	4.52	-39.60
CC1=CC=CC=C1C(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201614	1	41	-1.0	-44.10	355.22	4.49	-39.61
CC(NS(C)(=O)=O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201615	0	33	-1.0	-55.25	314.81	-4.18	-59.43
CC(NS(C)(=O)=O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201615	1	33	-1.0	-55.20	314.87	-4.21	-59.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC(C2=CC=C(O)C=C2)=N1	REAL300020201616	0	36	-1.0	-47.76	356.46	0.02	-47.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC(C2=CC=C(O)C=C2)=N1	REAL300020201616	1	36	-1.0	-47.78	356.52	-0.01	-47.79
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1OC1CCC1	REAL300020201617	0	40	-1.0	-48.68	353.96	4.90	-43.78
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1OC1CCC1	REAL300020201617	1	40	-1.0	-48.65	354.02	4.87	-43.78
COC1=CC=C(C2=NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C(C)O2)C=C1	REAL300020201618	0	42	-1.0	-46.39	385.85	0.60	-45.79
COC1=CC=C(C2=NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C(C)O2)C=C1	REAL300020201618	1	42	-1.0	-46.46	385.80	0.63	-45.83
O=C(CCNC(=O)C1=NC=CC=C1O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201619	0	39	-1.0	-54.33	365.38	-1.96	-56.29
O=C(CCNC(=O)C1=NC=CC=C1O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201619	1	39	-1.0	-54.28	365.43	-1.98	-56.26
O=C(CCNC(=O)C1=NC=CC=C1[O-])NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201619	1	38	-2.0	-103.74	361.81	-0.96	-104.70
O=C(CCNC(=O)C1=NC=CC=C1[O-])NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201619	1	38	-2.0	-103.74	361.86	-0.98	-104.72
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)C1=CC=C(Br)C=C1	REAL300020201620	0	31	-1.0	-42.39	320.03	2.52	-39.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)C1=CC=C(Br)C=C1	REAL300020201620	1	31	-1.0	-42.34	320.08	2.49	-39.85
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1	REAL300020201726	0	37	-1.0	-52.03	364.63	4.24	-47.79
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1	REAL300020201726	1	37	-1.0	-52.06	364.58	4.27	-47.79
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC=C1	REAL300020201727	0	32	-1.0	-44.25	309.83	2.30	-41.95
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC=C1	REAL300020201727	1	32	-1.0	-44.20	309.88	2.28	-41.92
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CSC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020201729	0	36	-1.0	-44.47	342.59	3.74	-40.73
CSC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020201729	1	36	-1.0	-44.48	342.64	3.71	-40.77
CN(C)C(=O)NC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201730	0	41	-1.0	-55.73	367.37	1.76	-53.97
CN(C)C(=O)NC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201730	1	41	-1.0	-55.68	367.42	1.74	-53.94
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CC1CCC(C)N1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201734	1	40	-1.0	-42.85	332.97	0.15	-42.70
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CCCCSCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201740	0	38	-1.0	-43.36	352.02	3.46	-39.90
CCCCSCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201740	1	38	-1.0	-43.37	352.07	3.44	-39.93
CC(C)(CC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201741	0	41	-1.0	-43.73	353.83	4.38	-39.35
CC(C)(CC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201741	1	41	-1.0	-43.67	353.88	4.35	-39.32
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CC(C)C(CC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201744	0	44	-1.0	-43.34	370.30	5.58	-37.76
CC(C)C(CC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201744	1	44	-1.0	-43.27	370.36	5.55	-37.72
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CC1=CSC(C2=CC=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)=N1	REAL300020201755	1	38	-1.0	-46.40	364.45	3.54	-42.86
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O=C(CN1CCN(C2=CC=CC=N2)CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201757	0	45	-1.0	-48.09	384.54	0.47	-47.62
O=C(CN1CCN(C2=CC=CC=N2)CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201757	1	45	-1.0	-48.06	384.59	0.44	-47.62
CN(C)C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)C=CC=C1Cl	REAL300020201758	0	40	-1.0	-45.16	367.73	3.48	-41.68
CN(C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C=CC=C1Cl	REAL300020201758	1	40	-1.0	-45.13	367.78	3.45	-41.68
CSCCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201759	0	35	-1.0	-44.71	330.55	2.55	-42.16
CSCCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201759	1	35	-1.0	-44.66	330.61	2.52	-42.14
CCOC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=N1	REAL300020201760	0	35	-1.0	-45.42	327.50	-0.30	-45.72
CCOC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=N1	REAL300020201760	1	35	-1.0	-45.45	327.45	-0.27	-45.72
CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201761	0	48	-1.0	-47.22	393.84	0.64	-46.58
CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201761	1	48	-1.0	-47.21	393.89	0.61	-46.60
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020201762	0	40	-1.0	-47.22	362.09	4.34	-42.88
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020201762	1	40	-1.0	-47.21	362.14	4.32	-42.89
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300020201763	0	38	-1.0	-46.80	359.66	3.08	-43.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300020201763	1	38	-1.0	-46.75	359.72	3.05	-43.70
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CC1=NC=C(Cl)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020201765	0	30	-1.0	-43.98	305.04	0.60	-43.38
CC1=NC=C(Cl)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020201765	1	30	-1.0	-43.93	305.09	0.58	-43.35
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(O)CC2=CC=CC=C2C1	REAL300020201766	0	37	-1.0	-44.51	333.33	0.75	-43.76
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(O)CC2=CC=CC=C2C1	REAL300020201766	1	37	-1.0	-44.48	333.38	0.72	-43.76
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NC2=C1C(=O)NC(=O)N2	REAL300020201767	0	37	-1.0	-45.63	347.06	-1.71	-47.34
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NC2=C1C(=O)NC(=O)N2	REAL300020201767	1	37	-1.0	-45.58	347.12	-1.74	-47.32
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC(N2CCCCC2)=N1	REAL300020201768	0	42	-1.0	-45.19	367.93	2.99	-42.20
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC(N2CCCCC2)=N1	REAL300020201768	1	42	-1.0	-45.24	367.88	3.01	-42.23
CC1=NOC(C)=C1CC(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201769	0	40	-1.0	-45.38	351.76	2.59	-42.79
CC1=NOC(C)=C1CC(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201769	1	40	-1.0	-45.37	351.81	2.56	-42.81
CC1=NC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=CC=C2C=C1	REAL300020201770	0	37	-1.0	-53.11	338.89	3.47	-49.64
CC1=NC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=CC=C2C=C1	REAL300020201770	1	37	-1.0	-53.10	338.94	3.44	-49.66
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C[NH+](C)CC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201773	0	41	0.0	-68.64	356.57	3.96	-64.68
C[NH+](C)CC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201773	1	41	0.0	-68.60	356.62	3.93	-64.67
CC[NH+]1CCN(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020201774	0	46	0.0	-65.47	376.51	1.11	-64.36
CC[NH+]1CCN(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020201774	1	46	0.0	-65.42	376.57	1.08	-64.34
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CCN1[N-]C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC1=O	REAL300020201822	0	32	-2.0	-89.28	313.21	-0.90	-90.18
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CN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020201877	0	39	-1.0	-51.44	358.71	3.54	-47.90
CN(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020201877	1	39	-1.0	-51.39	358.76	3.51	-47.88
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CC1=NC(SCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1	REAL300020201881	1	32	-1.0	-50.09	321.57	0.23	-49.86
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CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020201884	0	40	-1.0	-51.35	373.05	2.41	-48.94
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020201884	1	40	-1.0	-51.29	373.10	2.38	-48.91
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC12CCC1=CC=CC=C12	REAL300020201886	1	40	-1.0	-44.49	356.95	5.04	-39.45
COCCCOC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201887	0	43	-1.0	-48.02	384.72	2.16	-45.86
COCCCOC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201887	1	43	-1.0	-47.99	384.77	2.13	-45.86
CN1N=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C1CC1	REAL300020201888	0	36	-1.0	-48.29	334.13	1.83	-46.46
CN1N=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C1CC1	REAL300020201888	1	36	-1.0	-48.26	334.18	1.80	-46.46
CC1=NN(C)C(C)=C1CC(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201889	0	44	-1.0	-46.76	377.96	2.65	-44.11
CC1=NN(C)C(C)=C1CC(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201889	1	44	-1.0	-46.69	378.01	2.62	-44.07
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=CC=CC(F)=C2O1	REAL300020201890	1	32	-1.0	-48.22	315.91	2.48	-45.74
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1NC(=O)CC(C)C	REAL300020201891	0	48	-1.0	-51.17	411.46	4.02	-47.15
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1NC(=O)CC(C)C	REAL300020201891	1	48	-1.0	-51.13	411.51	3.99	-47.14
CC1=CC=CC(C)=C1NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201892	0	40	-1.0	-44.20	355.37	2.55	-41.65
CC1=CC=CC(C)=C1NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201892	1	40	-1.0	-44.17	355.43	2.52	-41.65
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020201893	0	46	-1.0	-53.40	394.87	3.87	-49.53
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020201893	1	46	-1.0	-53.37	394.92	3.84	-49.53
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(OC2CCOCC2)C=C1	REAL300020201894	0	44	-1.0	-45.52	380.00	2.44	-43.08
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(OC2CCOCC2)C=C1	REAL300020201894	1	44	-1.0	-45.49	380.05	2.43	-43.06
CCCCCCC(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201895	0	43	-1.0	-43.42	366.49	4.17	-39.25
CCCCCCC(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201895	1	43	-1.0	-43.41	366.54	4.14	-39.27
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC(=O)C(Br)=C1	REAL300020201896	0	29	-1.0	-48.85	303.34	-0.40	-49.25
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC(=O)C(Br)=C1	REAL300020201896	1	29	-1.0	-48.78	303.39	-0.42	-49.20
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)F	REAL300020201897	0	28	-1.0	-45.17	278.20	0.78	-44.39
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)F	REAL300020201897	1	28	-1.0	-45.10	278.25	0.76	-44.34
O=C(C=CC1=CC(Br)=CS1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201898	0	30	-1.0	-43.88	324.45	2.96	-40.92
O=C(C=CC1=CC(Br)=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201898	1	30	-1.0	-43.80	324.50	2.94	-40.86
CCC(CC)C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CCOCC1	REAL300020201899	0	50	-1.0	-43.79	380.22	2.96	-40.83
CCC(CC)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CCOCC1	REAL300020201899	1	50	-1.0	-43.81	380.27	2.92	-40.89
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C2=CSC=N2)=C1	REAL300020201900	0	35	-1.0	-50.24	340.83	2.75	-47.49
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C2=CSC=N2)=C1	REAL300020201900	1	35	-1.0	-50.26	340.78	2.78	-47.48
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC(C2CCCC2)=N1	REAL300020201901	0	41	-1.0	-43.54	369.52	3.20	-40.34
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC(C2CCCC2)=N1	REAL300020201901	1	41	-1.0	-43.52	369.57	3.18	-40.34
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC12CCCC1=CC=CC=C12	REAL300020201902	0	43	-1.0	-44.33	364.76	5.91	-38.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC12CCCC1=CC=CC=C12	REAL300020201902	1	43	-1.0	-44.27	364.81	5.88	-38.39
CC(CC(=O)C1=CC=CC=C1F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201903	0	40	-1.0	-49.07	364.36	4.07	-45.00
CC(CC(=O)C1=CC=CC=C1F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201903	1	40	-1.0	-49.04	364.41	4.04	-45.00
CCCCCCC(C)(CCC)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201904	0	52	-1.0	-43.72	418.91	5.83	-37.89
CCCCCCC(C)(CCC)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201904	1	52	-1.0	-43.71	418.96	5.80	-37.91
COC1=CC(Cl)=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201905	0	33	-1.0	-45.33	337.38	3.60	-41.73
COC1=CC(Cl)=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201905	1	33	-1.0	-45.28	337.43	3.57	-41.71
CC(C)C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(Cl)=C1	REAL300020201906	0	41	-1.0	-42.79	369.69	5.54	-37.25
CC(C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(Cl)=C1	REAL300020201906	1	41	-1.0	-42.71	369.75	5.50	-37.21
CCCCCC(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201907	0	43	-1.0	-43.38	363.77	4.10	-39.28
CCCCCC(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201907	1	43	-1.0	-43.36	363.82	4.07	-39.29
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=S)NC(C2CC2)=N1	REAL300020201908	0	38	-1.0	-51.93	364.51	2.87	-49.06
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=S)NC(C2CC2)=N1	REAL300020201908	1	38	-1.0	-51.92	364.56	2.84	-49.08
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(=O)N1	REAL300020201909	0	29	-1.0	-48.64	282.85	-1.06	-49.70
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(=O)N1	REAL300020201909	1	29	-1.0	-48.57	282.90	-1.09	-49.66
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020201910	0	37	-2.0	-96.28	351.09	-0.30	-96.58
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020201910	1	37	-2.0	-96.34	351.04	-0.27	-96.61
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)NC(C2=CC=CO2)=N1	REAL300020201910	1	38	-1.0	-51.33	353.19	0.79	-50.54
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)NC(C2=CC=CO2)=N1	REAL300020201910	1	38	-1.0	-51.34	353.14	0.82	-50.52
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)NC(C(C)(C)C)=N1	REAL300020201911	0	43	-1.0	-49.31	371.19	1.69	-47.62
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)NC(C(C)(C)C)=N1	REAL300020201911	1	43	-1.0	-49.27	371.25	1.66	-47.61
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)NC(C(C)C)=N1	REAL300020201912	0	40	-1.0	-50.01	354.02	1.10	-48.91
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)NC(C(C)C)=N1	REAL300020201912	1	40	-1.0	-49.98	354.07	1.08	-48.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=CC=C2O)=NN1	REAL300020201913	0	37	-1.0	-47.66	348.45	-0.47	-48.13
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=CC=C2O)=NN1	REAL300020201913	1	37	-1.0	-47.67	348.51	-0.49	-48.16
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=N2)C=C1	REAL300020201914	0	40	-2.0	-105.73	375.88	0.58	-105.15
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=N2)C=C1	REAL300020201914	1	40	-2.0	-105.65	375.94	0.56	-105.09
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300020201915	0	36	-2.0	-101.61	352.81	1.35	-100.26
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300020201915	1	36	-2.0	-101.60	352.87	1.32	-100.28
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=O)=N1	REAL300020201916	0	40	-2.0	-101.32	381.95	2.80	-98.52
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=O)=N1	REAL300020201916	1	40	-2.0	-101.27	382.01	2.77	-98.50
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020201917	0	36	-2.0	-110.46	350.91	1.44	-109.02
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020201917	1	36	-2.0	-110.45	350.96	1.41	-109.04
CC1=CC(F)=CC2=C1NC=C(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)C2=O	REAL300020201918	0	38	-1.0	-57.30	351.47	3.03	-54.27
CC1=CC(F)=CC2=C1NC=C(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)C2=O	REAL300020201918	1	38	-1.0	-57.32	351.52	3.01	-54.31
COC1=CC=C(C(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC	REAL300020201919	0	43	-1.0	-48.25	377.48	2.48	-45.77
COC1=CC=C(C(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC	REAL300020201919	1	43	-1.0	-48.20	377.53	2.45	-45.75
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201920	0	43	-1.0	-52.72	389.74	3.23	-49.49
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201920	1	43	-1.0	-52.65	389.80	3.20	-49.45
CC1=CC2=C(C=C1C)OC(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)C2	REAL300020201921	0	40	-1.0	-48.64	356.57	4.18	-44.46
CC1=CC2=C(C=C1C)OC(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)C2	REAL300020201921	1	40	-1.0	-48.60	356.62	4.15	-44.45
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(F)C=C1OC(F)F	REAL300020201922	0	33	-1.0	-46.58	321.68	2.97	-43.61
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)C=C1OC(F)F	REAL300020201922	1	33	-1.0	-46.55	321.73	2.94	-43.61
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC1	REAL300020201923	0	38	-1.0	-43.40	323.51	2.95	-40.45
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC1	REAL300020201923	1	38	-1.0	-43.37	323.57	2.92	-40.45
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(F)=C1	REAL300020201924	0	32	-1.0	-47.31	304.16	2.82	-44.49
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(F)=C1	REAL300020201924	1	32	-1.0	-47.23	304.22	2.79	-44.44
NC(=O)C1=CNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020201925	0	31	-1.0	-54.97	302.32	-3.39	-58.36
NC(=O)C1=CNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020201925	1	31	-1.0	-54.94	302.37	-3.42	-58.36
NC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CC=C1[N+](=O)[O-]	REAL300020201926	0	33	-1.0	-45.80	312.79	1.11	-44.69
NC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CC=C1[N+](=O)[O-]	REAL300020201926	1	33	-1.0	-45.71	312.84	1.08	-44.63
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CCC(OC1CCCC(C)C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201979	0	48	-1.0	-45.59	394.37	4.64	-40.95
CCC(OC1CCCC(C)C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201979	1	48	-1.0	-45.61	394.42	4.62	-40.99
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CC(CCOC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201980	1	42	-1.0	-46.85	370.43	3.64	-43.21
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(=O)N(C2=CNN=C2)C1	REAL300020201983	1	37	-1.0	-48.37	340.82	-0.52	-48.89
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[N@@H+](C2CCCCC2)C1	REAL300020201984	0	48	0.0	-62.65	383.07	4.37	-58.28
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[N@H+](C2CCCCC2)C1	REAL300020201984	1	48	0.0	-64.66	383.05	4.37	-60.29
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[N@@H+](C2CCCCC2)C1	REAL300020201984	1	48	0.0	-62.63	383.13	4.34	-58.29
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[N@H+](C2CCCCC2)C1	REAL300020201984	1	48	0.0	-64.73	383.10	4.34	-60.39
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CN1CCCC[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201986	0	37	-1.0	-43.78	317.37	-0.13	-43.91
CN1CCCC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201986	1	37	-1.0	-43.79	317.43	-0.16	-43.95
C[N@@H+]1CCCC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201986	1	38	0.0	-61.43	320.42	2.04	-59.39
C[N@H+]1CCCC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201986	1	38	0.0	-62.69	311.10	1.89	-60.80
CC1=CC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C(C3CC3)N=C2C=C1	REAL300020201987	0	44	-1.0	-45.46	385.42	5.13	-40.33
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CC(C)(C)OC(=O)N1CC(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020201988	0	47	-1.0	-57.47	411.71	1.68	-55.79
CC(C)(C)OC(=O)N1CC(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020201988	1	47	-1.0	-57.45	411.76	1.65	-55.80
CN1C=CN=C1CN1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020201989	0	47	-1.0	-51.82	393.56	1.68	-50.14
CN1C=CN=C1CN1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020201989	1	47	-1.0	-51.75	393.61	1.65	-50.10
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNN=C1C1=CC=NC=C1	REAL300020201990	0	35	-1.0	-48.90	329.11	0.34	-48.56
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNN=C1C1=CC=NC=C1	REAL300020201990	1	35	-1.0	-48.84	329.16	0.31	-48.53
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(N)C([N+](=O)[O-])=C1	REAL300020201991	0	36	-1.0	-44.65	334.17	1.78	-42.87
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(N)C([N+](=O)[O-])=C1	REAL300020201991	1	36	-1.0	-44.60	334.23	1.75	-42.85
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL300020201992	0	42	-1.0	-48.58	385.47	4.29	-44.29
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL300020201992	1	42	-1.0	-48.53	385.53	4.26	-44.27
CC(C)(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=N1	REAL300020201993	0	37	-1.0	-43.25	331.88	1.64	-41.61
CC(C)(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC=N1	REAL300020201993	1	37	-1.0	-43.30	331.82	1.67	-41.63
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC1	REAL300020201994	0	49	-1.0	-44.06	410.43	1.65	-42.41
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1	REAL300020201994	1	49	-1.0	-44.05	410.48	1.62	-42.43
CS(=O)(=O)CC1(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020201995	0	38	-1.0	-49.56	351.69	-0.58	-50.14
CS(=O)(=O)CC1(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020201995	1	38	-1.0	-49.51	351.74	-0.60	-50.11
CC(CN(C)C(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201996	0	48	-1.0	-49.80	402.51	2.68	-47.12
CC(CN(C)C(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201996	1	48	-1.0	-49.76	402.57	2.65	-47.11
CC(C)OCCS(=O)(=O)NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201997	0	43	-1.0	-53.06	396.58	-3.08	-56.14
CC(C)OCCS(=O)(=O)NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201997	1	43	-1.0	-52.99	396.63	-3.10	-56.09
CC1=C(C2=CC=CC=C2)C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)N1	REAL300020201998	0	42	-1.0	-53.40	379.79	3.40	-50.00
CC1=C(C2=CC=CC=C2)C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)N1	REAL300020201998	1	42	-1.0	-53.39	379.84	3.37	-50.02
NC(=O)N1CCC[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201999	0	35	-1.0	-52.22	314.42	-1.06	-53.28
NC(=O)N1CCC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201999	1	35	-1.0	-52.18	314.48	-1.09	-53.27
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCN1CC1=CC=C(F)C=C1	REAL300020202000	0	44	-1.0	-44.50	382.07	2.47	-42.03
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCN1CC1=CC=C(F)C=C1	REAL300020202000	1	44	-1.0	-44.48	382.13	2.44	-42.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)N2C=CC=CC2=N1	REAL300020202001	0	32	-1.0	-51.22	314.50	2.48	-48.74
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)N2C=CC=CC2=N1	REAL300020202001	1	32	-1.0	-51.28	314.44	2.51	-48.77
COC(=O)C1=CN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1	REAL300020202002	0	34	-1.0	-54.25	334.85	-0.69	-54.94
COC(=O)C1=CN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1	REAL300020202002	1	34	-1.0	-54.25	334.80	-0.66	-54.91
CC(C1=CC=CC=C1)C(C)(O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202003	0	42	-1.0	-43.49	357.95	1.59	-41.90
CC(C1=CC=CC=C1)C(C)(O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202003	1	42	-1.0	-43.49	358.01	1.56	-41.93
CC1C(=O)NC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C2N1C	REAL300020202004	0	42	-1.0	-48.35	365.37	-0.22	-48.57
CC1C(=O)NC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C2N1C	REAL300020202004	1	42	-1.0	-48.29	365.42	-0.25	-48.54
O=C(CC1CCCCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202005	0	41	-1.0	-43.58	334.39	3.40	-40.18
O=C(CC1CCCCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202005	1	41	-1.0	-43.59	334.44	3.38	-40.21
N#CC1=CNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202006	0	28	-1.0	-48.35	286.41	0.32	-48.03
N#CC1=CNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202006	1	28	-1.0	-48.33	286.47	0.29	-48.04
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)C=CC=C1Cl	REAL300020202007	0	29	-1.0	-46.81	313.48	2.77	-44.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)C=CC=C1Cl	REAL300020202007	1	29	-1.0	-46.80	313.53	2.75	-44.05
O=C(CSC1=N[N-]C(=S)S1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202008	0	28	-2.0	-84.42	324.19	-0.05	-84.47
O=C(CSC1=N[N-]C(=S)S1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202008	1	28	-2.0	-84.40	324.24	-0.08	-84.48
O=C(CSC1=NNC(=S)S1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202008	1	29	-1.0	-47.11	327.61	0.09	-47.02
O=C(CSC1=NNC(=S)S1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202008	1	29	-1.0	-47.07	327.66	0.06	-47.01
O=C(C#CC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202009	0	31	-1.0	-45.70	309.99	3.41	-42.29
O=C(C#CC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202009	1	31	-1.0	-45.70	310.04	3.38	-42.32
O=C(CC1=COC2=CC(F)=CC=C12)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202010	0	35	-1.0	-48.25	337.08	3.17	-45.08
O=C(CC1=COC2=CC(F)=CC=C12)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202010	1	35	-1.0	-48.16	337.13	3.14	-45.02
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Br)N=C1	REAL300020202011	0	28	-1.0	-44.15	294.71	0.76	-43.39
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Br)N=C1	REAL300020202011	1	28	-1.0	-44.21	294.65	0.79	-43.42
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020202012	0	46	-1.0	-47.55	399.08	2.12	-45.43
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020202012	1	46	-1.0	-47.50	399.13	2.09	-45.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)C(F)=CC(F)=C1F	REAL300020202013	0	29	-1.0	-45.11	307.07	2.13	-42.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C(F)=CC(F)=C1F	REAL300020202013	1	29	-1.0	-45.06	307.12	2.10	-42.96
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)S1	REAL300020202014	0	32	-1.0	-44.31	327.77	3.09	-41.22
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)S1	REAL300020202014	1	32	-1.0	-44.30	327.82	3.07	-41.23
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C)N=C1	REAL300020202015	0	35	-1.0	-49.92	323.63	1.06	-48.86
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C)N=C1	REAL300020202015	1	35	-1.0	-49.96	323.57	1.09	-48.87
CC1=NC(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020202016	0	37	-1.0	-48.19	351.98	2.05	-46.14
CC1=NC(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020202016	1	37	-1.0	-48.16	352.04	2.02	-46.14
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C(F)(F)F)=NN1	REAL300020202017	0	32	-1.0	-44.88	324.66	-0.03	-44.91
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)(F)F)=NN1	REAL300020202017	1	32	-1.0	-44.80	324.71	-0.05	-44.85
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202018	0	49	-1.0	-44.02	397.86	4.37	-39.65
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202018	1	49	-1.0	-43.94	397.93	4.34	-39.60
O=C(CC=CC1=CC=C(F)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202019	0	36	-1.0	-45.87	340.29	4.13	-41.74
O=C(CC=CC1=CC=C(F)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202019	1	36	-1.0	-45.85	340.34	4.10	-41.75
CCC1=CC=C(C(C)(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020202020	0	44	-1.0	-45.31	376.76	5.11	-40.20
CCC1=CC=C(C(C)(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020202020	1	44	-1.0	-45.32	376.81	5.09	-40.23
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C2C=NN(C)C2=N1	REAL300020202021	0	37	-1.0	-46.74	341.80	1.74	-45.00
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C2C=NN(C)C2=N1	REAL300020202021	1	37	-1.0	-46.68	341.85	1.71	-44.97
CNS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1F	REAL300020202022	0	37	-1.0	-49.82	352.49	-1.97	-51.79
CNS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1F	REAL300020202022	1	37	-1.0	-49.75	352.54	-2.00	-51.75
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(OCC2=CC=CC=C2)C1	REAL300020202023	0	43	-1.0	-47.03	384.75	4.02	-43.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(OCC2=CC=CC=C2)C1	REAL300020202023	1	43	-1.0	-47.01	384.80	3.99	-43.02
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN2N=NN=C2C=C1	REAL300020202024	0	30	-1.0	-48.12	294.70	0.17	-47.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN2N=NN=C2C=C1	REAL300020202024	1	30	-1.0	-48.16	294.65	0.19	-47.97
CCC(OC1=CC=CC=C1F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202025	0	39	-1.0	-50.77	349.70	3.91	-46.86
CCC(OC1=CC=CC=C1F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202025	1	39	-1.0	-50.71	349.75	3.88	-46.83
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)C(Cl)=C1	REAL300020202026	0	35	-1.0	-44.94	350.69	4.25	-40.69
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C(Cl)=C1	REAL300020202026	1	35	-1.0	-44.87	350.74	4.23	-40.64
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CC(C)C1=NN(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202083	1	38	-1.0	-43.88	340.95	1.65	-42.23
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CC(C)C1=NN=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020202085	0	39	-1.0	-47.07	358.65	-2.16	-49.23
CC(C)C1=NN=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020202085	1	39	-1.0	-47.07	358.70	-2.19	-49.26
CC(C)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NN1C	REAL300020202086	0	38	-1.0	-48.13	343.95	1.59	-46.54
CC(C)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1C	REAL300020202086	1	38	-1.0	-48.08	344.00	1.56	-46.52
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CC(CS(C)(=O)=O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202092	1	34	-1.0	-51.09	320.37	-1.93	-53.02
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COC1=CSC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202093	1	30	-1.0	-44.67	300.90	0.37	-44.30
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CC(=O)N1CCC(C)(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020202095	0	39	-1.0	-49.75	341.71	0.82	-48.93
CC(=O)N1CCC(C)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020202095	1	39	-1.0	-49.72	341.76	0.79	-48.93
CSCC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1F	REAL300020202096	0	36	-1.0	-45.39	349.62	3.98	-41.41
CSCC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1F	REAL300020202096	1	36	-1.0	-45.32	349.67	3.95	-41.37
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(Cl)=C1[N+](=O)[O-]	REAL300020202097	0	31	-1.0	-53.30	321.42	4.43	-48.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(Cl)=C1[N+](=O)[O-]	REAL300020202097	1	31	-1.0	-53.25	321.47	4.40	-48.85
COC1=CC=C(C(C)CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020202098	0	42	-1.0	-45.72	367.16	3.28	-42.44
COC1=CC=C(C(C)CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020202098	1	42	-1.0	-45.71	367.21	3.25	-42.46
CCSC1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202099	0	36	-1.0	-45.20	352.11	4.43	-40.77
CCSC1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202099	1	36	-1.0	-45.19	352.16	4.41	-40.78
N#CCSC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202100	0	34	-1.0	-51.19	339.21	3.67	-47.52
N#CCSC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202100	1	34	-1.0	-51.14	339.26	3.64	-47.50
CCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020202101	0	37	-1.0	-48.03	340.66	3.89	-44.14
CCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020202101	1	37	-1.0	-47.97	340.71	3.86	-44.11
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC2=CC(Cl)=CC=C2C=C1	REAL300020202102	1	34	-1.0	-47.83	338.37	3.01	-44.82
CC(C)(C)OC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020202103	0	42	-1.0	-44.58	358.49	3.21	-41.37
CC(C)(C)OC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020202103	1	42	-1.0	-44.57	358.54	3.19	-41.38
CC(C)CCCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202104	0	43	-1.0	-43.73	367.88	4.16	-39.57
CC(C)CCCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202104	1	43	-1.0	-43.69	367.93	4.13	-39.56
CC1=CC=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020202105	0	35	-1.0	-45.96	326.90	2.49	-43.47
CC1=CC=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020202105	1	35	-1.0	-45.94	326.95	2.46	-43.48
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2=CC=CC(Cl)=C2)C=N1	REAL300020202106	0	36	-1.0	-48.06	354.84	4.81	-43.25
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2=CC=CC(Cl)=C2)C=N1	REAL300020202106	1	36	-1.0	-48.10	354.79	4.84	-43.26
CC1=CC=C(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020202107	0	38	-1.0	-45.82	357.84	4.22	-41.60
CC1=CC=C(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020202107	1	38	-1.0	-45.83	357.90	4.19	-41.64
CC1(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)NC(=O)NC1=O	REAL300020202108	0	41	-1.0	-48.65	374.20	-0.89	-49.54
CC1(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)NC(=O)NC1=O	REAL300020202108	1	41	-1.0	-48.58	374.25	-0.92	-49.50
CC1=NC2=CC=CC=C2N1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202109	0	38	-1.0	-52.67	349.95	3.56	-49.11
CC1=NC2=CC=CC=C2N1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202109	1	38	-1.0	-52.67	350.00	3.53	-49.14
COC1=C2OC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=C(C=O)C=C1	REAL300020202110	0	38	-1.0	-48.50	362.11	1.49	-47.01
COC1=C2OC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=C(C=O)C=C1	REAL300020202110	1	38	-1.0	-48.41	362.17	1.46	-46.95
CC(=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(Cl)=C1	REAL300020202111	0	36	-1.0	-43.20	349.47	4.58	-38.62
CC(=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(Cl)=C1	REAL300020202111	1	36	-1.0	-43.14	349.52	4.56	-38.58
COC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020202112	0	32	-1.0	-45.64	307.66	-1.10	-46.74
COC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020202112	1	32	-1.0	-45.70	307.61	-1.07	-46.77
O=C(COC1CCOC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202113	0	34	-1.0	-49.99	312.85	-0.46	-50.45
O=C(COC1CCOC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202113	1	34	-1.0	-49.94	312.91	-0.49	-50.43
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC12CCCC2	REAL300020202114	0	36	-1.0	-43.63	315.84	3.05	-40.58
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC12CCCC2	REAL300020202114	1	36	-1.0	-43.64	315.89	3.02	-40.62
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(OC2=CC=CC=C2)=CC=N1	REAL300020202115	0	39	-1.0	-47.01	366.17	3.24	-43.77
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(OC2=CC=CC=C2)=CC=N1	REAL300020202115	1	39	-1.0	-47.00	366.12	3.27	-43.73
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C(F)(F)F)=CC=C1F	REAL300020202116	0	32	-1.0	-46.05	321.79	3.15	-42.90
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C(F)(F)F)=CC=C1F	REAL300020202116	1	32	-1.0	-46.04	321.84	3.12	-42.92
CC(SC1=CC=CC=N1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202117	0	35	-1.0	-46.74	336.44	2.54	-44.20
CC(SC1=CC=CC=N1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202117	1	35	-1.0	-46.78	336.38	2.57	-44.21
O=C(C=CSCC1=CC=CO1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202118	0	34	-1.0	-46.37	340.57	2.69	-43.68
O=C(C=CSCC1=CC=CO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202118	1	34	-1.0	-46.38	340.62	2.66	-43.72
COC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Cl)=C1	REAL300020202119	0	36	-1.0	-48.43	346.56	2.48	-45.95
COC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=C1	REAL300020202119	1	36	-1.0	-48.37	346.62	2.45	-45.92
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COC1=CC=C(C(=O)CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1F	REAL300020202121	0	41	-1.0	-49.46	380.05	2.77	-46.69
COC1=CC=C(C(=O)CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1F	REAL300020202121	1	41	-1.0	-49.46	380.10	2.74	-46.72
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(F)(F)C1	REAL300020202122	0	29	-1.0	-43.96	282.79	1.22	-42.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(F)(F)C1	REAL300020202122	1	29	-1.0	-43.93	282.84	1.19	-42.74
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(=O)NC=C1	REAL300020202123	0	29	-1.0	-52.17	283.19	-1.02	-53.19
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CS(=O)(=O)NCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020202124	0	37	-1.0	-58.63	362.88	-2.93	-61.56
CS(=O)(=O)NCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020202124	1	37	-1.0	-58.61	362.93	-2.96	-61.57
CCC(CC)(CC)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202125	0	40	-1.0	-43.68	327.35	2.44	-41.24
CCC(CC)(CC)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202125	1	40	-1.0	-43.69	327.41	2.41	-41.28
COCCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC1	REAL300020202126	0	39	-1.0	-45.05	339.12	1.15	-43.90
COCCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1	REAL300020202126	1	39	-1.0	-45.02	339.17	1.12	-43.90
CCC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020202127	0	37	-1.0	-47.39	341.25	3.35	-44.04
CCC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020202127	1	37	-1.0	-47.39	341.30	3.32	-44.07
CC(C)CN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)OC(C)(C)C	REAL300020202128	0	51	-1.0	-50.66	426.93	4.20	-46.46
CC(C)CN(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)OC(C)(C)C	REAL300020202128	1	51	-1.0	-50.65	426.99	4.18	-46.47
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CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2=CC=NC=C2)=NO1	REAL300020202130	0	37	-1.0	-48.41	353.28	1.98	-46.43
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2=CC=NC=C2)=NO1	REAL300020202130	1	37	-1.0	-48.35	353.33	1.95	-46.40
COC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1F	REAL300020202131	0	33	-1.0	-45.00	313.90	1.43	-43.57
COC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1F	REAL300020202131	1	33	-1.0	-44.94	313.95	1.40	-43.54
CC1=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NN1	REAL300020202132	0	32	-1.0	-49.52	303.82	-0.25	-49.77
CC1=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1	REAL300020202132	1	32	-1.0	-49.49	303.87	-0.28	-49.77
CC1=NNC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202132	1	32	-1.0	-48.61	304.67	-0.35	-48.96
CC1=NNC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202132	1	32	-1.0	-48.60	304.72	-0.38	-48.98
CC1=NN(CC(F)(F)F)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202133	0	35	-1.0	-48.89	340.73	1.78	-47.11
CC1=NN(CC(F)(F)F)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202133	1	35	-1.0	-48.80	340.79	1.75	-47.05
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CC1=C(S(N)(=O)=O)C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020202134	1	34	-1.0	-50.69	337.48	-4.20	-54.89
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CN1C=NC(S(=O)(=O)NCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202135	1	37	-1.0	-56.33	360.95	-2.46	-58.79
CCC(C)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020202136	0	41	-1.0	-44.14	356.81	4.63	-39.51
CCC(C)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020202136	1	41	-1.0	-44.06	356.86	4.60	-39.46
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CC(C)(C)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020202140	0	38	-1.0	-43.96	350.81	3.68	-40.28
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020202140	1	38	-1.0	-43.91	350.86	3.66	-40.25
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CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202142	1	40	-1.0	-45.46	364.08	4.02	-41.44
CC1=CC=C(Br)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202143	0	32	-1.0	-44.92	315.88	3.36	-41.56
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CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2=CC=CC=N2)=NO1	REAL300020202153	0	37	-1.0	-50.75	355.64	2.13	-48.62
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2=CC=CC=N2)=NO1	REAL300020202153	1	37	-1.0	-50.75	355.69	2.10	-48.65
CC1=CC=C(OCCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1	REAL300020202154	0	45	-1.0	-47.40	395.69	4.56	-42.84
CC1=CC=C(OCCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1	REAL300020202154	1	45	-1.0	-47.37	395.74	4.53	-42.84
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CC(C)CC(C)OCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202157	0	44	-1.0	-43.69	378.09	2.66	-41.03
CC(C)CC(C)OCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202157	1	44	-1.0	-43.65	378.15	2.63	-41.02
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CCN(CC)C(=O)CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202159	0	41	-1.0	-47.05	361.98	1.96	-45.09
CCN(CC)C(=O)CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202159	1	41	-1.0	-47.04	362.03	1.93	-45.11
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CC1=CC(Cl)=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202161	0	32	-1.0	-43.89	316.35	3.24	-40.65
CC1=CC(Cl)=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202161	1	32	-1.0	-43.83	316.40	3.21	-40.62
O=C(CCSC1=CC=CC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202162	0	35	-1.0	-48.03	341.16	2.40	-45.63
O=C(CCSC1=CC=CC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202162	1	35	-1.0	-48.13	341.11	2.42	-45.71
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202163	0	40	-1.0	-53.38	377.90	-3.33	-56.71
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202163	1	40	-1.0	-53.42	377.85	-3.30	-56.72
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Br)C(Cl)=C1	REAL300020202164	0	29	-1.0	-42.85	314.30	3.14	-39.71
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CSC1=NC(=O)NC(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202166	0	35	-1.0	-48.22	343.87	-1.48	-49.70
CSC1=NC(=O)NC(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202166	1	35	-1.0	-48.19	343.92	-1.50	-49.69
CN(C)CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC=C1	REAL300020202167	0	37	-1.0	-44.72	343.48	0.62	-44.10
C[NH+](C)CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=C1	REAL300020202167	1	38	0.0	-60.26	343.58	3.06	-57.20
CN(C)CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=C1	REAL300020202167	1	37	-1.0	-44.64	343.53	0.59	-44.05
COC1=CC=C2OCC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=C1	REAL300020202168	0	39	-1.0	-46.10	353.58	1.85	-44.25
COC1=CC=C2OCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=C1	REAL300020202168	1	39	-1.0	-46.04	353.63	1.82	-44.22
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CC1=CC=CC(C)=C1NC(=O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202171	0	39	-1.0	-45.32	352.92	1.98	-43.34
CC1=CC=CC(C)=C1NC(=O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202171	1	39	-1.0	-45.28	352.98	1.95	-43.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2CCCC2)C=C1	REAL300020202172	0	39	-1.0	-47.21	346.65	2.46	-44.75
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2CCCC2)C=C1	REAL300020202172	1	39	-1.0	-47.25	346.59	2.49	-44.76
CC1=NC(CC(C)C)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020202173	0	40	-1.0	-43.64	356.83	2.41	-41.23
CC1=NC(CC(C)C)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020202173	1	40	-1.0	-43.57	356.87	2.39	-41.18
CC(C)CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020202174	0	44	-1.0	-43.08	355.32	4.23	-38.85
CC(C)CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020202174	1	44	-1.0	-42.99	355.38	4.20	-38.79
CC(C)CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CCCCC1=O	REAL300020202175	0	48	-1.0	-53.80	394.29	4.91	-48.89
CC(C)CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CCCCC1=O	REAL300020202175	1	48	-1.0	-53.76	394.34	4.88	-48.88
CC(CSC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202176	0	39	-1.0	-43.68	366.84	4.66	-39.02
CC(CSC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202176	1	39	-1.0	-43.62	366.89	4.63	-38.99
CCC1=NOC(CC)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202177	0	40	-1.0	-48.49	361.82	3.03	-45.46
CCC1=NOC(CC)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202177	1	40	-1.0	-48.44	361.87	3.00	-45.44
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202178	0	40	-1.0	-46.80	359.13	3.91	-42.89
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202178	1	40	-1.0	-46.79	359.18	3.88	-42.91
CC1=NC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)S1	REAL300020202179	0	34	-1.0	-49.12	328.31	1.11	-48.01
CC1=NC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)S1	REAL300020202179	1	34	-1.0	-49.08	328.36	1.08	-48.00
CN1C=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C21	REAL300020202180	0	42	-1.0	-46.97	378.59	5.33	-41.64
CN1C=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C21	REAL300020202180	1	42	-1.0	-46.95	378.64	5.30	-41.65
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CCCCCC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)C	REAL300020202182	0	46	-1.0	-43.17	375.68	4.94	-38.23
CCCCCC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)C	REAL300020202182	1	46	-1.0	-43.13	375.73	4.91	-38.22
COC1=C(F)C=CC(F)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202183	0	33	-1.0	-46.96	326.72	1.63	-45.33
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C[NH+](C)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1	REAL300020202184	0	38	0.0	-60.77	315.80	1.78	-58.99
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CC(C)N1N=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202187	0	35	-1.0	-44.25	320.27	1.34	-42.91
CC(C)N1N=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202187	1	35	-1.0	-44.30	320.22	1.37	-42.93
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COC1=CC=C(C(C)(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020202188	1	42	-1.0	-45.82	363.00	2.92	-42.90
CCOCCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020202189	0	45	-1.0	-45.47	377.78	2.86	-42.61
CCOCCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020202189	1	45	-1.0	-45.45	377.83	2.83	-42.62
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CC(C)(CC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202192	1	41	-1.0	-43.06	370.62	4.86	-38.20
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CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202202	1	44	-1.0	-51.60	381.06	0.85	-50.75
CC1(C)CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020202203	0	41	-1.0	-43.35	337.97	3.20	-40.15
CC1(C)CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020202203	1	41	-1.0	-43.33	338.03	3.18	-40.15
COC(=O)C(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202204	0	34	-1.0	-44.75	314.76	1.13	-43.62
COC(=O)C(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202204	1	34	-1.0	-44.69	314.81	1.10	-43.59
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S(=O)(=O)CCO1	REAL300020202205	0	34	-1.0	-61.96	326.11	-2.81	-64.77
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S(=O)(=O)CCO1	REAL300020202205	1	34	-1.0	-61.95	326.16	-2.84	-64.79
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CC1=CC=C(C2=CN=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)C=C1	REAL300020202207	1	41	-1.0	-45.86	368.99	4.38	-41.48
COC1=CC=C(C2=CN=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)C=C1	REAL300020202208	0	42	-1.0	-46.59	377.09	2.97	-43.62
COC1=CC=C(C2=CN=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)C=C1	REAL300020202208	1	42	-1.0	-46.63	377.04	3.00	-43.63
CCC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202209	0	35	-1.0	-44.11	312.20	3.44	-40.67
CCC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202209	1	35	-1.0	-44.06	312.26	3.41	-40.65
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202210	0	39	-1.0	-49.44	373.77	3.44	-46.00
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202210	1	39	-1.0	-49.41	373.82	3.41	-46.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL300020202211	0	38	-1.0	-45.80	347.64	3.67	-42.13
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL300020202211	1	38	-1.0	-45.83	347.59	3.70	-42.13
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300020202212	0	38	-1.0	-45.30	364.37	4.19	-41.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300020202212	1	38	-1.0	-45.29	364.31	4.22	-41.07
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(F)C=C1[N+](=O)[O-]	REAL300020202213	0	31	-1.0	-49.88	308.93	3.80	-46.08
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)C=C1[N+](=O)[O-]	REAL300020202213	1	31	-1.0	-49.81	308.99	3.77	-46.04
COC1=CC=C(F)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1F	REAL300020202214	0	33	-1.0	-49.53	323.77	1.32	-48.21
COC1=CC=C(F)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1F	REAL300020202214	1	33	-1.0	-49.52	323.82	1.29	-48.23
CCC(CC)N1N=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202215	0	41	-1.0	-44.15	359.24	2.84	-41.31
CCC(CC)N1N=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202215	1	41	-1.0	-44.19	359.19	2.87	-41.32
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(CC2=CC=CC=C2)CCC1	REAL300020202216	0	42	-1.0	-46.61	364.76	4.92	-41.69
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(CC2=CC=CC=C2)CCC1	REAL300020202216	1	42	-1.0	-46.58	364.81	4.89	-41.69
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC2=NNC=C21	REAL300020202217	0	36	-1.0	-45.63	317.50	1.00	-44.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC2=NNC=C21	REAL300020202217	1	36	-1.0	-45.56	317.56	0.97	-44.59
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020202218	0	32	-1.0	-44.88	319.40	0.89	-43.99
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020202218	1	32	-1.0	-44.93	319.46	0.86	-44.07
CC1=CC(F)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1F	REAL300020202219	0	32	-1.0	-45.74	309.44	2.85	-42.89
CC1=CC(F)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1F	REAL300020202219	1	32	-1.0	-45.68	309.49	2.82	-42.86
CCOCCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC1	REAL300020202220	0	42	-1.0	-43.66	364.67	2.12	-41.54
CCOCCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1	REAL300020202220	1	42	-1.0	-43.61	364.73	2.09	-41.52
CCCOC1=CC=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202221	0	42	-1.0	-47.98	375.69	3.77	-44.21
CCCOC1=CC=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202221	1	42	-1.0	-47.92	375.75	3.74	-44.18
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(OCC(F)(F)F)=C1	REAL300020202222	0	36	-1.0	-48.30	349.12	2.75	-45.55
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(OCC(F)(F)F)=C1	REAL300020202222	1	36	-1.0	-48.24	349.17	2.72	-45.52
COCCCS(=O)(=O)NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202223	0	40	-1.0	-56.14	375.96	-3.99	-60.13
COCCCS(=O)(=O)NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202223	1	40	-1.0	-56.09	376.00	-4.02	-60.11
CCC(CC)N1C=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020202224	0	41	-1.0	-47.81	361.01	2.53	-45.28
CCC(CC)N1C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020202224	1	41	-1.0	-47.85	360.96	2.55	-45.30
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=NC=CN21	REAL300020202225	0	32	-1.0	-48.27	301.42	2.46	-45.81
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=NC=CN21	REAL300020202225	1	32	-1.0	-48.25	301.47	2.43	-45.82
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202226	0	43	-1.0	-53.03	397.74	3.04	-49.99
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202226	1	43	-1.0	-53.00	397.79	3.01	-49.99
CC(C)(C)C(NS(C)(=O)=O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202227	0	42	-1.0	-48.37	370.05	-1.62	-49.99
CC(C)(C)C(NS(C)(=O)=O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202227	1	42	-1.0	-48.33	370.10	-1.65	-49.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC=CC=N1	REAL300020202228	0	31	-1.0	-47.33	306.29	1.71	-45.62
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC=CC=N1	REAL300020202228	1	31	-1.0	-47.35	306.24	1.74	-45.61
COC1=CC=C(C(C)(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC	REAL300020202229	0	46	-1.0	-48.31	392.19	2.86	-45.45
COC1=CC=C(C(C)(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC	REAL300020202229	1	46	-1.0	-48.30	392.24	2.83	-45.47
CC1=CC=CC(C2=CN=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)=C1	REAL300020202230	0	41	-1.0	-45.67	369.05	4.34	-41.33
CC1=CC=CC(C2=CN=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)=C1	REAL300020202230	1	41	-1.0	-45.70	368.99	4.37	-41.33
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1F	REAL300020202231	0	35	-1.0	-47.93	337.50	2.76	-45.17
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1F	REAL300020202231	1	35	-1.0	-47.89	337.55	2.73	-45.16
CC1(C2=CC=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)NC(=O)NC1=O	REAL300020202232	0	41	-1.0	-47.46	372.65	-1.20	-48.66
CC1(C2=CC=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)NC(=O)NC1=O	REAL300020202232	1	41	-1.0	-47.46	372.71	-1.23	-48.69
CC1(C)C(=O)NC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C21	REAL300020202233	0	40	-1.0	-46.36	361.47	1.57	-44.79
CC1(C)C(=O)NC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C21	REAL300020202233	1	40	-1.0	-46.33	361.52	1.54	-44.79
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)C=CC(OC(F)F)=C1F	REAL300020202234	0	33	-1.0	-48.35	333.52	1.60	-46.75
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C=CC(OC(F)F)=C1F	REAL300020202234	1	33	-1.0	-48.31	333.58	1.57	-46.74
CC(C)OC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=N1	REAL300020202235	0	38	-1.0	-45.49	347.64	0.62	-44.87
CC(C)OC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=N1	REAL300020202235	1	38	-1.0	-45.58	347.59	0.65	-44.93
O=C(CSC1=NC2=CC=CC=C2N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202236	0	36	-1.0	-48.06	350.81	2.15	-45.91
O=C(CSC1=NC2=CC=CC=C2N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202236	1	36	-1.0	-48.02	350.86	2.12	-45.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020202237	0	31	-2.0	-84.77	313.85	0.63	-84.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020202237	1	31	-2.0	-84.72	313.90	0.60	-84.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(O)=CC([N+](=O)[O-])=C1	REAL300020202237	1	32	-1.0	-47.59	317.42	-0.12	-47.71
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(O)=CC([N+](=O)[O-])=C1	REAL300020202237	1	32	-1.0	-47.56	317.47	-0.16	-47.72
N#CC1=CN=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=C1	REAL300020202238	0	29	-1.0	-45.09	308.85	1.22	-43.87
N#CC1=CN=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Cl)=C1	REAL300020202238	1	29	-1.0	-45.07	308.80	1.25	-43.82
CC1=CC=CC(F)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202239	0	32	-1.0	-49.17	307.72	2.51	-46.66
CC1=CC=CC(F)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202239	1	32	-1.0	-49.09	307.78	2.48	-46.61
CNC(=O)C1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020202240	0	35	-1.0	-46.34	334.36	-1.38	-47.72
CNC(=O)C1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020202240	1	35	-1.0	-46.41	334.31	-1.35	-47.76
CC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Cl)=C1	REAL300020202241	0	35	-1.0	-47.07	338.48	3.85	-43.22
CC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=C1	REAL300020202241	1	35	-1.0	-47.02	338.53	3.82	-43.20
CCCN1N=C(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C	REAL300020202242	0	41	-1.0	-48.28	369.83	2.44	-45.84
CCCN1N=C(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C	REAL300020202242	1	41	-1.0	-48.24	369.88	2.41	-45.83
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC(Br)=C1	REAL300020202243	0	28	-1.0	-44.31	294.91	0.78	-43.53
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC(Br)=C1	REAL300020202243	1	28	-1.0	-44.35	294.86	0.81	-43.54
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(F)C(Cl)=C1	REAL300020202244	0	29	-1.0	-43.34	300.78	2.63	-40.71
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)C(Cl)=C1	REAL300020202244	1	29	-1.0	-43.30	300.83	2.60	-40.70
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=CC(F)=C1	REAL300020202245	0	28	-1.0	-43.72	279.67	0.33	-43.39
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=CC(F)=C1	REAL300020202245	1	28	-1.0	-43.75	279.62	0.36	-43.39
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300020202246	0	36	-1.0	-44.50	356.26	4.79	-39.71
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300020202246	1	36	-1.0	-44.49	356.31	4.76	-39.73
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL300020202247	0	38	-1.0	-51.08	367.21	2.27	-48.81
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL300020202247	1	38	-1.0	-51.14	367.16	2.30	-48.84
CCCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC1	REAL300020202248	0	38	-1.0	-43.85	330.46	2.88	-40.97
CCCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1	REAL300020202248	1	38	-1.0	-43.81	330.51	2.85	-40.96
CC1=CC(=O)NC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202249	0	32	-1.0	-48.06	298.84	-0.31	-48.37
CC1=CC(=O)NC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202249	1	32	-1.0	-48.01	298.89	-0.35	-48.36
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(F)C=C1C(F)(F)F	REAL300020202250	0	32	-1.0	-45.27	314.76	3.18	-42.09
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)C=C1C(F)(F)F	REAL300020202250	1	32	-1.0	-45.22	314.81	3.15	-42.07
CC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202251	0	36	-1.0	-51.22	346.83	1.48	-49.74
CC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202251	1	36	-1.0	-51.25	346.88	1.45	-49.80
CC(=O)NC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Cl)=C1	REAL300020202252	0	36	-1.0	-52.93	346.97	1.48	-51.45
CC(=O)NC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=C1	REAL300020202252	1	36	-1.0	-52.85	347.03	1.45	-51.40
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300020202253	0	37	-1.0	-49.56	342.49	1.34	-48.22
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300020202253	1	37	-1.0	-49.50	342.55	1.31	-48.19
O=C(CCC1=NC(C2CCCC2)=NO1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202254	0	43	-1.0	-45.83	381.38	1.52	-44.31
O=C(CCC1=NC(C2CCCC2)=NO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202254	1	43	-1.0	-45.79	381.43	1.49	-44.30
CC(C)[C@@H](C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[NH+](C)C	REAL300020202255	0	40	0.0	-63.17	326.24	2.16	-61.01
CCCC(O)(CCC)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202256	0	44	-1.0	-45.93	364.15	1.71	-44.22
CCCC(O)(CCC)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202256	1	44	-1.0	-45.91	364.21	1.68	-44.23
O=C(CSC1=CC=C(O)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202257	0	34	-1.0	-47.00	332.37	0.35	-46.65
O=C(CSC1=CC=C(O)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202257	1	34	-1.0	-46.94	332.42	0.32	-46.62
CC(C)C1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020202258	0	37	-1.0	-46.57	335.56	2.17	-44.40
CC(C)C1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020202258	1	37	-1.0	-46.54	335.61	2.14	-44.40
N#CC1=NN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020202259	0	29	-1.0	-53.96	299.17	1.00	-52.96
N#CC1=NN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020202259	1	29	-1.0	-53.94	299.11	1.03	-52.91
O=C(CC1=CC=C(F)C=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202260	0	32	-1.0	-46.72	323.48	3.25	-43.47
O=C(CC1=CC=C(F)C=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202260	1	32	-1.0	-46.66	323.53	3.22	-43.44
CC1CC(C#N)(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020202261	0	33	-1.0	-42.43	309.38	1.82	-40.61
CC1CC(C#N)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020202261	1	33	-1.0	-42.45	309.43	1.80	-40.65
CCOCCS(=O)(=O)NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202262	0	40	-1.0	-53.19	376.31	-3.82	-57.01
CCOCCS(=O)(=O)NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202262	1	40	-1.0	-53.14	376.36	-3.85	-56.99
CCC1=NNC(=O)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1CC	REAL300020202263	0	40	-1.0	-49.98	349.16	0.66	-49.32
CCC1=NNC(=O)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1CC	REAL300020202263	1	40	-1.0	-49.94	349.21	0.63	-49.31
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C(C2CC2)N1	REAL300020202264	0	33	-1.0	-45.09	312.22	0.98	-44.11
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C(C2CC2)N1	REAL300020202264	1	33	-1.0	-45.05	312.27	0.96	-44.09
O=C(CC1=CC(F)=C(F)C=C1F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202265	0	32	-1.0	-45.45	320.95	2.90	-42.55
O=C(CC1=CC(F)=C(F)C=C1F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202265	1	32	-1.0	-45.43	321.01	2.88	-42.55
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1Cl	REAL300020202266	0	32	-1.0	-43.30	313.62	3.16	-40.14
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1Cl	REAL300020202266	1	32	-1.0	-43.29	313.68	3.13	-40.16
CC1CCC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020202267	0	38	-1.0	-43.77	326.57	3.00	-40.77
CC1CCC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020202267	1	38	-1.0	-43.74	326.62	2.98	-40.76
COC1=CC=CC(OC)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202268	0	37	-1.0	-50.96	340.34	0.61	-50.35
COC1=CC=CC(OC)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202268	1	37	-1.0	-50.96	340.39	0.58	-50.38
CC=C(C=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)CC	REAL300020202269	0	36	-1.0	-44.21	326.78	2.97	-41.24
CC=C(C=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)CC	REAL300020202269	1	36	-1.0	-44.19	326.83	2.94	-41.25
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL300020202270	0	35	-1.0	-45.13	343.30	3.12	-42.01
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL300020202270	1	35	-1.0	-45.19	343.25	3.15	-42.04
CC1CCC(=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020202271	0	36	-1.0	-43.75	318.12	2.99	-40.76
CC1CCC(=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020202271	1	36	-1.0	-43.70	318.18	2.96	-40.74
COC1=CC=C(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C	REAL300020202272	0	40	-1.0	-48.36	361.31	2.67	-45.69
COC1=CC=C(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C	REAL300020202272	1	40	-1.0	-48.36	361.36	2.64	-45.72
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNN=C1C1=C(F)C=CC=C1F	REAL300020202273	0	36	-1.0	-52.13	348.25	2.10	-50.03
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNN=C1C1=C(F)C=CC=C1F	REAL300020202273	1	36	-1.0	-52.06	348.30	2.07	-49.99
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)=C1CCCC1	REAL300020202274	0	36	-1.0	-44.20	314.04	3.05	-41.15
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)=C1CCCC1	REAL300020202274	1	36	-1.0	-44.19	314.10	3.03	-41.16
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020202275	0	43	-1.0	-46.86	378.30	3.15	-43.71
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020202275	1	43	-1.0	-46.83	378.36	3.12	-43.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(O)CCCCC1	REAL300020202276	0	36	-1.0	-42.90	311.10	-0.60	-43.50
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(O)CCCCC1	REAL300020202276	1	36	-1.0	-42.87	311.15	-0.63	-43.50
CC(O)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300020202277	0	39	-1.0	-46.76	364.49	1.27	-45.49
CC(O)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300020202277	1	39	-1.0	-46.76	364.54	1.24	-45.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020202278	0	49	0.0	-58.77	403.07	2.44	-56.33
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020202278	1	49	0.0	-66.04	403.04	2.44	-63.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020202278	1	49	0.0	-58.72	403.12	2.42	-56.30
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020202278	1	49	0.0	-65.99	403.09	2.41	-63.58
O=C(CC1CCSCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202279	0	36	-1.0	-44.10	322.54	2.69	-41.41
O=C(CC1CCSCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202279	1	36	-1.0	-44.03	322.59	2.66	-41.37
CCC(OC1CCCCC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202280	0	45	-1.0	-44.97	378.96	4.30	-40.67
CCC(OC1CCCCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202280	1	45	-1.0	-44.92	379.02	4.27	-40.65
CCOC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)C	REAL300020202281	0	41	-1.0	-45.46	349.88	2.56	-42.90
CCOC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)C	REAL300020202281	1	41	-1.0	-45.43	349.93	2.53	-42.90
O=C(CN1C=C(C2CC2)N=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202282	0	35	-1.0	-53.61	328.78	0.95	-52.66
O=C(CN1C=C(C2CC2)N=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202282	1	35	-1.0	-53.58	328.84	0.92	-52.66
COCCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020202283	0	42	-1.0	-45.35	355.92	1.90	-43.45
COCCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020202283	1	42	-1.0	-45.34	355.98	1.87	-43.47
CCS(=O)(=O)NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202284	0	33	-1.0	-54.33	320.78	-3.86	-58.19
CCS(=O)(=O)NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202284	1	33	-1.0	-54.29	320.83	-3.89	-58.18
COC(=O)CC(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202285	0	34	-1.0	-44.88	313.63	1.08	-43.80
COC(=O)CC(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202285	1	34	-1.0	-44.80	313.68	1.05	-43.75
CC1=C(C)OC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202286	0	32	-1.0	-45.32	303.97	1.50	-43.82
CC1=C(C)OC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202286	1	32	-1.0	-45.30	304.03	1.47	-43.83
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)(C)C	REAL300020202287	0	51	-1.0	-42.53	415.13	2.09	-40.44
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)(C)C	REAL300020202287	1	51	-1.0	-42.52	415.18	2.06	-40.46
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202288	0	51	-1.0	-43.40	421.30	2.12	-41.28
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202288	1	51	-1.0	-43.38	421.35	2.09	-41.29
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CC(C)C1=NN=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020202290	0	37	-1.0	-47.10	350.19	-2.27	-49.37
CC(C)C1=NN=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020202290	1	37	-1.0	-47.05	350.24	-2.30	-49.35
C=CCC(CC=C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202291	0	36	-1.0	-43.36	325.07	2.66	-40.70
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CC(C)(C)OC1=CC=CC(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020202292	0	47	-1.0	-45.70	402.31	3.73	-41.97
CC(C)(C)OC1=CC=CC(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020202292	1	47	-1.0	-45.67	402.35	3.71	-41.96
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(Br)S1	REAL300020202293	0	29	-1.0	-44.24	309.04	2.50	-41.74
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CCC[C@@H](NC(N)=O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202294	0	37	-1.0	-50.84	329.97	-1.96	-52.80
CCC[C@@H](NC(N)=O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202294	1	37	-1.0	-50.83	330.02	-1.98	-52.81
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CC(OC1CCCCCC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202297	0	45	-1.0	-45.64	371.19	3.95	-41.69
CC(OC1CCCCCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202297	1	45	-1.0	-45.60	371.24	3.93	-41.67
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O=C(CCC1=NN=C(C2CCCC2)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202299	0	43	-1.0	-46.94	381.71	-0.88	-47.82
O=C(CCC1=NN=C(C2CCCC2)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202299	1	43	-1.0	-46.88	381.77	-0.91	-47.79
CC1=CC=C(OCCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Cl)=C1	REAL300020202300	0	42	-1.0	-48.82	391.64	4.37	-44.45
CC1=CC=C(OCCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=C1	REAL300020202300	1	42	-1.0	-48.76	391.69	4.34	-44.42
CC(CNC(=O)OC(C)(C)C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202301	0	48	-1.0	-47.15	405.60	1.03	-46.12
CC(CNC(=O)OC(C)(C)C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202301	1	48	-1.0	-47.07	405.65	1.01	-46.06
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=CC(Cl)=C1	REAL300020202302	0	29	-1.0	-42.53	301.35	2.65	-39.88
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CCC1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020202303	0	36	-1.0	-46.17	321.11	1.92	-44.25
CCC1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020202303	1	36	-1.0	-46.15	321.16	1.90	-44.25
CCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020202304	0	38	-1.0	-43.40	321.89	2.79	-40.61
CCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020202304	1	38	-1.0	-43.32	321.95	2.77	-40.55
CC(C)CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC1	REAL300020202305	0	41	-1.0	-43.43	337.32	3.45	-39.98
CC(C)CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1	REAL300020202305	1	41	-1.0	-43.37	337.38	3.43	-39.94
O=C(CC1=CN=C2NC=CC=C12)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202306	0	35	-1.0	-60.03	329.15	2.05	-57.98
O=C(CC1=CN=C2NC=CC=C12)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202306	1	35	-1.0	-60.01	329.21	2.02	-57.99
COC1=CC=CC(OC)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202307	0	40	-1.0	-48.67	359.15	1.48	-47.19
COC1=CC=CC(OC)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202307	1	40	-1.0	-48.63	359.20	1.45	-47.18
O=C(CC1=NN(C2=CC=CC=C2)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202308	0	39	-1.0	-52.50	360.87	3.91	-48.59
O=C(CC1=NN(C2=CC=CC=C2)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202308	1	39	-1.0	-52.44	360.92	3.89	-48.55
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020202309	0	43	-1.0	-50.72	378.43	0.16	-50.56
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020202309	1	43	-1.0	-50.70	378.48	0.13	-50.57
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)C=C1Br	REAL300020202310	0	29	-1.0	-43.19	311.19	3.20	-39.99
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C=C1Br	REAL300020202310	1	29	-1.0	-43.17	311.25	3.17	-40.00
CC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1F	REAL300020202311	0	32	-1.0	-47.91	303.07	2.77	-45.14
CC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1F	REAL300020202311	1	32	-1.0	-47.90	303.12	2.74	-45.16
CC(C)(C)C1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020202312	0	44	-1.0	-45.45	379.04	5.07	-40.38
CC(C)(C)C1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020202312	1	44	-1.0	-45.42	379.09	5.04	-40.38
CC(C)OC1=CN=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202313	0	38	-1.0	-44.39	342.70	1.11	-43.28
CC(C)OC1=CN=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202313	1	38	-1.0	-44.44	342.65	1.14	-43.30
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202314	0	48	-1.0	-48.16	402.65	1.07	-47.09
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202314	1	48	-1.0	-48.11	402.70	1.04	-47.07
CC1=NN(C)C(C)=C1OCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202315	0	39	-1.0	-49.38	360.58	1.62	-47.76
CC1=NN(C)C(C)=C1OCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202315	1	39	-1.0	-49.35	360.64	1.59	-47.76
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN2C(=NN=C2C(F)F)C=C1	REAL300020202316	0	34	-1.0	-48.07	334.18	3.32	-44.75
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN2C(=NN=C2C(F)F)C=C1	REAL300020202316	1	34	-1.0	-48.00	334.23	3.29	-44.71
CS(=O)(=O)N1CCN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020202317	0	42	-1.0	-53.08	373.33	-3.36	-56.44
CS(=O)(=O)N1CCN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020202317	1	42	-1.0	-53.06	373.38	-3.39	-56.45
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2=CC=CN=C2)N=C1	REAL300020202318	0	35	-1.0	-47.77	334.24	1.41	-46.36
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2=CC=CN=C2)N=C1	REAL300020202318	1	35	-1.0	-47.83	334.18	1.44	-46.39
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202319	0	41	-1.0	-51.31	377.34	5.57	-45.74
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202319	1	41	-1.0	-51.31	377.40	5.54	-45.77
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202320	0	44	-1.0	-48.76	387.87	4.77	-43.99
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202320	1	44	-1.0	-48.72	387.92	4.75	-43.97
CC1CCCC(OCCCCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020202321	0	54	-1.0	-45.47	443.51	5.55	-39.92
CC1CCCC(OCCCCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020202321	1	54	-1.0	-45.41	443.56	5.52	-39.89
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202322	0	46	-1.0	-47.66	406.17	-2.63	-50.29
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202322	1	46	-1.0	-47.68	406.23	-2.66	-50.34
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1CCOCC1	REAL300020202323	0	43	-1.0	-47.92	373.76	1.34	-46.58
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C1CCOCC1	REAL300020202323	1	43	-1.0	-47.89	373.82	1.31	-46.58
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(C1CC1)C1CC1	REAL300020202324	0	36	-1.0	-42.88	324.50	3.36	-39.52
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(C1CC1)C1CC1	REAL300020202324	1	36	-1.0	-42.86	324.55	3.34	-39.52
CCCN1N=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C1CC1	REAL300020202325	0	42	-1.0	-46.28	370.49	3.34	-42.94
CCCN1N=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C1CC1	REAL300020202325	1	42	-1.0	-46.25	370.55	3.32	-42.93
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(O)CCC1=CC=CC=C1	REAL300020202326	0	39	-1.0	-45.41	355.52	2.26	-43.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(O)CCC1=CC=CC=C1	REAL300020202326	1	39	-1.0	-45.37	355.57	2.23	-43.14
CSCCC(O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202327	0	33	-1.0	-45.89	318.85	-0.31	-46.20
CSCCC(O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202327	1	33	-1.0	-45.86	318.90	-0.34	-46.20
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@H](O)C1=CC=CC=C1Cl	REAL300020202328	0	33	-1.0	-46.05	317.76	1.41	-44.64
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@H](O)C1=CC=CC=C1Cl	REAL300020202328	1	33	-1.0	-45.99	317.81	1.38	-44.61
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H](O)C1=CC=CC=C1	REAL300020202329	0	33	-1.0	-44.73	310.94	0.80	-43.93
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H](O)C1=CC=CC=C1	REAL300020202329	1	33	-1.0	-44.70	310.99	0.77	-43.93
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@H](O)C1=CC=CC=C1	REAL300020202330	0	33	-1.0	-44.47	310.42	0.81	-43.66
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@H](O)C1=CC=CC=C1	REAL300020202330	1	33	-1.0	-44.44	310.47	0.78	-43.66
COC1=CC=CC(C(O)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202331	0	37	-1.0	-46.02	339.90	0.11	-45.91
COC1=CC=CC(C(O)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202331	1	37	-1.0	-46.01	339.95	0.08	-45.93
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300020202332	0	31	-1.0	-44.90	318.81	3.11	-41.79
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300020202332	1	31	-1.0	-44.86	318.87	3.08	-41.78
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NNC(=O)[N-]C1=O	REAL300020202333	0	27	-2.0	-88.76	280.22	-5.60	-94.36
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NNC(=O)[N-]C1=O	REAL300020202333	1	27	-2.0	-88.73	280.27	-5.63	-94.36
COC(=O)CC(C)(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202334	0	40	-1.0	-48.46	342.19	2.16	-46.30
COC(=O)CC(C)(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202334	1	40	-1.0	-48.42	342.24	2.13	-46.29
CN1C=NC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C21	REAL300020202335	0	35	-1.0	-51.67	326.56	3.36	-48.31
CN1C=NC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C21	REAL300020202335	1	35	-1.0	-51.70	326.51	3.39	-48.31
CCN1N=CC=C1C=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202336	0	36	-1.0	-46.55	337.13	1.77	-44.78
CCN1N=CC=C1C=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202336	1	36	-1.0	-46.54	337.18	1.74	-44.80
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC(Cl)=CC=C1F	REAL300020202337	0	28	-1.0	-47.34	296.91	0.82	-46.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC(Cl)=CC=C1F	REAL300020202337	1	28	-1.0	-47.40	296.85	0.85	-46.55
COC(=O)C1=CC=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202338	0	38	-1.0	-51.75	357.65	3.40	-48.35
COC(=O)C1=CC=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202338	1	38	-1.0	-51.70	357.70	3.37	-48.33
CC1=CC(C)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1	REAL300020202339	0	38	-1.0	-45.09	342.33	3.65	-41.44
CC1=CC(C)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1	REAL300020202339	1	38	-1.0	-45.07	342.38	3.62	-41.45
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300020202340	0	31	-1.0	-50.73	322.52	3.24	-47.49
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300020202340	1	31	-1.0	-50.73	322.57	3.21	-47.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C([N+](=O)[O-])C=NN1	REAL300020202341	0	28	-1.0	-47.54	283.79	0.17	-47.37
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C([N+](=O)[O-])C=NN1	REAL300020202341	1	28	-1.0	-47.45	283.84	0.15	-47.30
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC(OC2CCC2)=C1	REAL300020202342	0	39	-1.0	-45.49	353.75	1.27	-44.22
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC(OC2CCC2)=C1	REAL300020202342	1	39	-1.0	-45.52	353.70	1.30	-44.22
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1CC(C)C	REAL300020202343	0	41	-1.0	-46.85	353.59	2.21	-44.64
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1CC(C)C	REAL300020202343	1	41	-1.0	-46.80	353.64	2.19	-44.61
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202344	0	40	-1.0	-49.09	369.46	4.54	-44.55
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202344	1	40	-1.0	-49.03	369.51	4.51	-44.52
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020202345	0	31	-1.0	-46.22	296.93	0.96	-45.26
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020202345	1	31	-1.0	-46.29	296.87	0.99	-45.30
CSC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1F	REAL300020202346	0	33	-1.0	-44.42	324.14	3.11	-41.31
CSC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1F	REAL300020202346	1	33	-1.0	-44.38	324.19	3.09	-41.29
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300020202347	0	33	-1.0	-43.56	343.90	1.83	-41.73
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300020202347	1	33	-1.0	-43.49	343.95	1.81	-41.68
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(Br)=C1[O-]	REAL300020202348	0	29	-2.0	-95.17	303.90	2.25	-92.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(Br)=C1[O-]	REAL300020202348	1	29	-2.0	-95.17	303.95	2.22	-92.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2N=CNC2=N1	REAL300020202349	0	31	-1.0	-48.82	300.99	1.01	-47.81
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2N=CNC2=N1	REAL300020202349	1	31	-1.0	-48.81	301.04	0.99	-47.82
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2N=CN=C2N1	REAL300020202349	1	31	-1.0	-49.31	298.62	1.03	-48.28
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2N=CN=C2N1	REAL300020202349	1	31	-1.0	-49.20	298.67	1.00	-48.20
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300020202350	0	41	-1.0	-46.91	375.73	3.46	-43.45
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300020202350	1	41	-1.0	-46.89	375.79	3.43	-43.46
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2N=S=NC2=C1	REAL300020202351	0	30	-1.0	-46.22	302.31	0.41	-45.81
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2N=S=NC2=C1	REAL300020202351	1	30	-1.0	-46.20	302.36	0.38	-45.82
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(F)=C1	REAL300020202352	0	34	-1.0	-51.29	336.94	-2.91	-54.20
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(F)=C1	REAL300020202352	1	34	-1.0	-51.26	336.99	-2.94	-54.20
CN(C)CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NO1	REAL300020202353	0	36	-1.0	-45.79	335.10	-0.98	-46.77
CN(C)CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NO1	REAL300020202353	1	36	-1.0	-45.76	335.16	-1.01	-46.77
O=C(CSCC(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202354	0	29	-1.0	-47.54	306.27	1.52	-46.02
O=C(CSCC(F)(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202354	1	29	-1.0	-47.49	306.32	1.49	-46.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C(C2=CC=CN=C2)S1	REAL300020202355	0	34	-1.0	-45.94	340.05	1.15	-44.79
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C(C2=CC=CN=C2)S1	REAL300020202355	1	34	-1.0	-45.96	340.00	1.18	-44.78
CC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020202356	0	32	-1.0	-47.61	305.50	1.70	-45.91
CC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020202356	1	32	-1.0	-47.63	305.55	1.67	-45.96
CCCC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)C	REAL300020202357	0	40	-1.0	-43.33	332.68	3.38	-39.95
CCCC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)C	REAL300020202357	1	40	-1.0	-43.31	332.73	3.34	-39.97
CC(C)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NO1	REAL300020202358	0	34	-1.0	-45.30	321.14	1.57	-43.73
CC(C)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NO1	REAL300020202358	1	34	-1.0	-45.21	321.19	1.54	-43.67
O=C(COC1=CC=CC=C1Br)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202359	0	33	-1.0	-49.11	332.17	3.28	-45.83
O=C(COC1=CC=CC=C1Br)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202359	1	33	-1.0	-49.07	332.22	3.25	-45.82
CC1=CC=C(C(C)C(O)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020202360	0	42	-1.0	-44.55	367.79	3.03	-41.52
CC1=CC=C(C(C)C(O)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020202360	1	42	-1.0	-44.48	367.84	3.00	-41.48
NC(=O)NC(CO)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202361	0	32	-1.0	-48.98	304.89	-7.80	-56.78
NC(=O)NC(CO)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202361	1	32	-1.0	-48.94	304.94	-7.82	-56.76
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(Br)=N1	REAL300020202362	0	28	-1.0	-46.39	296.94	0.82	-45.57
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(Br)=N1	REAL300020202362	1	28	-1.0	-46.37	296.89	0.85	-45.52
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN=C1C(F)(F)F	REAL300020202363	0	31	-1.0	-48.99	304.89	1.42	-47.57
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN=C1C(F)(F)F	REAL300020202363	1	31	-1.0	-49.03	304.84	1.45	-47.58
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020202364	0	31	-2.0	-100.26	309.49	2.87	-97.39
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020202364	1	31	-2.0	-100.26	309.54	2.84	-97.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL300020202365	0	38	-1.0	-49.57	362.44	4.45	-45.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL300020202365	1	38	-1.0	-49.61	362.38	4.47	-45.14
CCOC1=CC(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1O	REAL300020202366	0	41	-1.0	-47.58	374.79	1.34	-46.24
CCOC1=CC(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1O	REAL300020202366	1	41	-1.0	-47.53	374.84	1.31	-46.22
CN1CCOCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202367	0	35	-1.0	-44.45	309.48	-2.57	-47.02
CN1CCOCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202367	1	35	-1.0	-44.40	309.53	-2.60	-47.00
CC(C)CN1N=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C1CC1	REAL300020202368	0	45	-1.0	-46.26	388.68	4.14	-42.12
CC(C)CN1N=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C1CC1	REAL300020202368	1	45	-1.0	-46.23	388.73	4.11	-42.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC(C2=NC=CC=C2F)=N1	REAL300020202369	0	34	-1.0	-50.74	344.67	0.99	-49.75
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC(C2=NC=CC=C2F)=N1	REAL300020202369	1	34	-1.0	-50.66	344.72	0.97	-49.69
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)C=C1Br	REAL300020202370	0	35	-1.0	-42.43	333.72	3.93	-38.50
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)C=C1Br	REAL300020202370	1	35	-1.0	-42.33	333.77	3.90	-38.43
COC1=CC(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1F	REAL300020202371	0	37	-1.0	-47.00	348.44	2.64	-44.36
COC1=CC(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1F	REAL300020202371	1	37	-1.0	-46.95	348.49	2.61	-44.34
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300020202372	0	38	-1.0	-59.15	368.00	4.22	-54.93
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300020202372	1	38	-1.0	-59.18	367.95	4.24	-54.94
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(C)=C1F	REAL300020202373	0	35	-1.0	-43.33	325.18	3.40	-39.93
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(C)=C1F	REAL300020202373	1	35	-1.0	-43.29	325.23	3.38	-39.91
CC(C)N1C=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202374	0	36	-1.0	-45.55	323.79	2.94	-42.61
CC(C)N1C=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202374	1	36	-1.0	-45.54	323.85	2.91	-42.63
CC1=C(C)NC(=O)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020202375	0	34	-1.0	-57.15	318.24	-0.27	-57.42
CC1=C(C)NC(=O)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020202375	1	34	-1.0	-57.08	318.29	-0.30	-57.38
O=C(CC(O)C1=CC=CC(F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202376	0	36	-1.0	-48.94	337.35	1.36	-47.58
O=C(CC(O)C1=CC=CC(F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202376	1	36	-1.0	-48.89	337.40	1.33	-47.56
COC(=O)C1=CN=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020202377	0	33	-1.0	-44.73	326.09	-0.93	-45.66
COC(=O)C1=CN=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020202377	1	33	-1.0	-44.72	326.04	-0.90	-45.62
CC1(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC(=O)N1	REAL300020202378	0	39	-1.0	-48.59	343.05	-0.22	-48.81
CC1(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC(=O)N1	REAL300020202378	1	39	-1.0	-48.54	343.10	-0.26	-48.80
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN2C(=O)NN=C12	REAL300020202379	0	32	-1.0	-51.20	308.98	0.75	-50.45
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN2C(=O)NN=C12	REAL300020202379	1	32	-1.0	-51.16	309.03	0.72	-50.44
CC1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202380	0	32	-1.0	-43.72	311.02	3.25	-40.47
CC1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202380	1	32	-1.0	-43.68	311.07	3.23	-40.45
CS(=O)(=O)C1=CC=C(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020202381	0	39	-1.0	-54.66	372.43	0.15	-54.51
CS(=O)(=O)C1=CC=C(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020202381	1	39	-1.0	-54.60	372.48	0.12	-54.48
CC1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC1=O	REAL300020202382	0	37	-1.0	-47.94	326.34	2.08	-45.86
CC1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1=O	REAL300020202382	1	37	-1.0	-47.88	326.39	2.05	-45.83
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C2SCC(=O)NC2=C1	REAL300020202383	0	34	-1.0	-46.92	333.37	-0.88	-47.80
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C2SCC(=O)NC2=C1	REAL300020202383	1	34	-1.0	-47.00	333.32	-0.85	-47.85
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C2C=CC=CN12	REAL300020202384	0	32	-1.0	-49.61	303.71	2.35	-47.26
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C2C=CC=CN12	REAL300020202384	1	32	-1.0	-49.63	303.66	2.38	-47.25
CCCCCCCCCCC(C)(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202385	0	58	-1.0	-43.42	467.47	7.72	-35.70
CCCCCCCCCCC(C)(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202385	1	58	-1.0	-43.42	467.52	7.69	-35.73
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202386	0	42	-1.0	-46.81	379.44	4.82	-41.99
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202386	1	42	-1.0	-46.79	379.49	4.79	-42.00
CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2=CC=CS2)=N1	REAL300020202387	0	36	-1.0	-48.99	348.32	2.51	-46.48
CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2=CC=CS2)=N1	REAL300020202387	1	36	-1.0	-49.04	348.27	2.53	-46.51
CC(C)[C@H]1CC[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020202388	0	44	-1.0	-43.42	359.90	4.04	-39.38
CC(C)[C@H]1CC[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020202388	1	44	-1.0	-43.35	359.95	4.01	-39.34
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CCC(C)(C)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020202405	0	44	-1.0	-44.15	368.55	4.85	-39.30
CCC(C)(C)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020202405	1	44	-1.0	-44.10	368.60	4.82	-39.28
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(O)CCSCC1	REAL300020202407	0	34	-1.0	-43.19	310.26	-0.79	-43.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(O)CCSCC1	REAL300020202407	1	34	-1.0	-43.17	310.31	-0.81	-43.98
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCO1	REAL300020202408	0	34	-1.0	-44.61	307.85	0.87	-43.74
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCO1	REAL300020202408	1	34	-1.0	-44.57	307.90	0.84	-43.73
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC(C2CCCO2)=N1	REAL300020202409	0	36	-1.0	-46.01	344.20	0.06	-45.95
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC(C2CCCO2)=N1	REAL300020202409	1	36	-1.0	-45.96	344.25	0.03	-45.93
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020202410	0	32	-1.0	-51.24	332.30	-1.44	-52.68
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020202410	1	32	-1.0	-51.13	332.35	-1.48	-52.61
CCN1CCOCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202411	0	38	-1.0	-44.26	324.03	-2.09	-46.35
CCN1CCOCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202411	1	38	-1.0	-44.28	324.08	-2.12	-46.40
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC2=CC=CC=C2S1	REAL300020202412	0	31	-1.0	-46.86	313.66	1.54	-45.32
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC2=CC=CC=C2S1	REAL300020202412	1	31	-1.0	-46.88	313.61	1.57	-45.31
CCOC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202413	0	39	-1.0	-46.42	361.53	3.16	-43.26
CCOC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202413	1	39	-1.0	-46.35	361.59	3.13	-43.22
CC(=O)C1=C(C)NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C(C)C	REAL300020202414	0	44	-1.0	-47.60	380.56	2.71	-44.89
CC(=O)C1=C(C)NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C(C)C	REAL300020202414	1	44	-1.0	-47.60	380.62	2.68	-44.92
CC1=CN(CC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=NO2)N=C1	REAL300020202415	0	38	-1.0	-51.33	363.10	1.84	-49.49
CC1=CN(CC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=NO2)N=C1	REAL300020202415	1	38	-1.0	-51.25	363.16	1.81	-49.44
CNS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CO1	REAL300020202416	0	34	-1.0	-50.71	340.61	-3.74	-54.45
CNS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CO1	REAL300020202416	1	34	-1.0	-50.71	340.67	-3.77	-54.48
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCOCC1	REAL300020202417	0	39	-1.0	-44.28	329.23	1.10	-43.18
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCOCC1	REAL300020202417	1	39	-1.0	-44.26	329.28	1.07	-43.19
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CC2=NN=CN2)C=C1	REAL300020202418	0	38	-1.0	-55.47	354.99	3.93	-51.54
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(CC2=NN=CN2)C=C1	REAL300020202418	1	38	-1.0	-55.41	355.05	3.90	-51.51
CC1=CC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=NN2C=C1	REAL300020202419	0	35	-1.0	-50.54	327.02	2.43	-48.11
CC1=CC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=NN2C=C1	REAL300020202419	1	35	-1.0	-50.55	326.96	2.46	-48.09
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(CCO)C(=O)CC1	REAL300020202420	0	37	-1.0	-46.98	343.06	-3.17	-50.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(CCO)C(=O)CC1	REAL300020202420	1	37	-1.0	-46.97	343.11	-3.20	-50.17
COC(=O)C1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020202421	0	41	-1.0	-49.42	352.11	2.80	-46.62
COC(=O)C1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020202421	1	41	-1.0	-49.37	352.17	2.77	-46.60
O=C(CN1CCOCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202422	0	35	-1.0	-45.07	309.32	-2.26	-47.33
O=C(CN1CCOCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202422	1	35	-1.0	-45.00	309.37	-2.29	-47.29
CC(CN1CCOCC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202423	0	41	-1.0	-44.27	350.19	-0.70	-44.97
CC(C[NH+]1CCOCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202423	1	42	0.0	-65.74	349.77	1.18	-64.56
CC(CN1CCOCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202423	1	41	-1.0	-44.26	350.25	-0.73	-44.99
COC(=O)C1=CN=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202424	0	34	-1.0	-47.15	328.20	0.91	-46.24
COC(=O)C1=CN=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202424	1	34	-1.0	-47.19	328.14	0.94	-46.25
CN(C)S(=O)(=O)CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202425	0	36	-1.0	-50.00	340.75	-2.16	-52.16
CN(C)S(=O)(=O)CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202425	1	36	-1.0	-49.94	340.81	-2.18	-52.12
O=C(CCC(=O)N1CCC(O)CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202426	0	43	-1.0	-48.72	372.70	-1.26	-49.98
O=C(CCC(=O)N1CCC(O)CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202426	1	43	-1.0	-48.68	372.76	-1.29	-49.97
CN1C=C([N+](=O)[O-])C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020202427	0	31	-1.0	-53.53	307.68	1.43	-52.10
CN1C=C([N+](=O)[O-])C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020202427	1	31	-1.0	-53.52	307.63	1.46	-52.06
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN=C1	REAL300020202428	0	37	-1.0	-47.78	328.57	1.80	-45.98
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN=C1	REAL300020202428	1	37	-1.0	-47.80	328.52	1.83	-45.97
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(O)=C1	REAL300020202429	0	33	-1.0	-45.95	308.45	1.27	-44.68
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(O)=C1	REAL300020202429	1	33	-1.0	-45.92	308.50	1.24	-44.68
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(O)C=C1O	REAL300020202430	0	31	-1.0	-46.54	298.01	-2.22	-48.76
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(O)C=C1O	REAL300020202430	1	31	-1.0	-46.57	298.07	-2.26	-48.83
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=CC=C1O	REAL300020202431	0	30	-1.0	-45.50	293.46	0.67	-44.83
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=CC=C1O	REAL300020202431	1	30	-1.0	-45.41	293.51	0.65	-44.76
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300020202432	0	31	-2.0	-87.88	311.66	2.28	-85.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300020202432	1	31	-2.0	-87.86	311.71	2.25	-85.61
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Br)C=C1O	REAL300020202433	0	30	-1.0	-44.16	308.33	1.23	-42.93
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Br)C=C1O	REAL300020202433	1	30	-1.0	-44.14	308.39	1.20	-42.94
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Br)C=C1[O-]	REAL300020202433	1	29	-2.0	-95.11	304.77	2.24	-92.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Br)C=C1[O-]	REAL300020202433	1	29	-2.0	-95.10	304.82	2.21	-92.89
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(C=C1O)OCO2	REAL300020202434	0	33	-1.0	-46.04	313.07	-0.73	-46.77
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(C=C1O)OCO2	REAL300020202434	1	33	-1.0	-46.03	313.12	-0.76	-46.79
CCC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1O	REAL300020202435	0	36	-1.0	-45.78	328.75	2.06	-43.72
CCC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1O	REAL300020202435	1	36	-1.0	-45.76	328.80	2.04	-43.72
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020202436	0	35	-2.0	-96.84	342.68	4.35	-92.49
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020202436	1	35	-2.0	-96.80	342.73	4.32	-92.48
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(O)C2=CC=CC=C2C(Cl)=C1	REAL300020202436	1	36	-1.0	-45.87	346.24	3.36	-42.51
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(O)C2=CC=CC=C2C(Cl)=C1	REAL300020202436	1	36	-1.0	-45.82	346.29	3.33	-42.49
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(O)=C1O	REAL300020202437	0	34	-1.0	-47.07	317.81	-0.98	-48.05
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(O)=C1O	REAL300020202437	1	34	-1.0	-47.01	317.86	-1.01	-48.02
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(O)=C1C	REAL300020202438	0	36	-1.0	-46.10	324.06	1.85	-44.25
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(O)=C1C	REAL300020202438	1	36	-1.0	-46.08	324.12	1.83	-44.25
CC(C)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(O)=C1	REAL300020202439	0	39	-1.0	-45.34	347.17	2.52	-42.82
CC(C)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(O)=C1	REAL300020202439	1	39	-1.0	-45.31	347.23	2.49	-42.82
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Br)=N1	REAL300020202440	0	31	-1.0	-46.45	311.24	1.42	-45.03
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Br)=N1	REAL300020202440	1	31	-1.0	-46.39	311.29	1.39	-45.00
CCCCS(=O)(=O)NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202441	0	39	-1.0	-54.08	363.78	-2.28	-56.36
CCCCS(=O)(=O)NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202441	1	39	-1.0	-53.96	363.83	-2.31	-56.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2C=CN=N2)C=C1	REAL300020202442	0	35	-1.0	-49.90	331.62	1.88	-48.02
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2C=CN=N2)C=C1	REAL300020202442	1	35	-1.0	-49.94	331.56	1.91	-48.03
C=CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020202443	0	39	-1.0	-43.98	352.12	4.56	-39.42
C=CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020202443	1	39	-1.0	-43.97	352.18	4.54	-39.43
COC(=O)C1=CC=CC=C1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202444	0	41	-1.0	-50.14	370.42	3.96	-46.18
COC(=O)C1=CC=CC=C1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202444	1	41	-1.0	-50.10	370.47	3.93	-46.17
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202445	0	51	-1.0	-43.36	415.48	2.16	-41.20
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202445	1	51	-1.0	-43.33	415.53	2.12	-41.21
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Br)=C1	REAL300020202446	0	32	-1.0	-45.06	315.88	3.35	-41.71
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Br)=C1	REAL300020202446	1	32	-1.0	-45.01	315.93	3.33	-41.68
CC1=CC=C(F)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1F	REAL300020202447	0	32	-1.0	-48.89	314.78	2.65	-46.24
CC1=CC=C(F)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1F	REAL300020202447	1	32	-1.0	-48.86	314.84	2.62	-46.24
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(O)C=CC=C1Cl	REAL300020202448	0	30	-1.0	-46.87	308.44	-0.45	-47.32
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(O)C=CC=C1Cl	REAL300020202448	1	30	-1.0	-46.81	308.49	-0.48	-47.29
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C([O-])C=CC=C1Cl	REAL300020202448	1	29	-2.0	-100.49	304.88	0.32	-100.17
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C([O-])C=CC=C1Cl	REAL300020202448	1	29	-2.0	-100.43	304.93	0.29	-100.14
CCC1=CC=C(O)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202449	0	36	-1.0	-45.67	329.94	2.05	-43.62
CCC1=CC=C(O)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202449	1	36	-1.0	-45.63	329.99	2.02	-43.61
CC(C)C1=CC=C(O)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202450	0	39	-1.0	-45.40	347.19	2.52	-42.88
CC(C)C1=CC=C(O)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202450	1	39	-1.0	-45.39	347.24	2.49	-42.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300020202451	0	43	-1.0	-48.10	389.84	5.06	-43.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300020202451	1	43	-1.0	-48.11	389.89	5.04	-43.07
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(C1=CC=CC=C1)N1CCC(O)CC1	REAL300020202452	0	48	-1.0	-44.65	403.75	0.66	-43.99
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(C1=CC=CC=C1)N1CCC(O)CC1	REAL300020202452	1	48	-1.0	-44.60	403.81	0.62	-43.98
COC1=CC(C)=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1O	REAL300020202453	0	37	-1.0	-47.56	337.64	1.03	-46.53
COC1=CC(C)=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1O	REAL300020202453	1	37	-1.0	-47.52	337.69	1.00	-46.52
CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(C)(C)C)=N1	REAL300020202454	0	41	-1.0	-45.99	352.25	2.16	-43.83
CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C(C)(C)C)=N1	REAL300020202454	1	41	-1.0	-45.98	352.20	2.19	-43.79
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300020202455	0	36	-1.0	-48.30	356.37	3.70	-44.60
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300020202455	1	36	-1.0	-48.30	356.32	3.73	-44.57
N#CC1=CC=C(NCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020202456	0	34	-1.0	-48.52	331.27	0.50	-48.02
N#CC1=CC=C(NCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020202456	1	34	-1.0	-48.56	331.22	0.53	-48.03
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1NCC1=CC=CC=C1	REAL300020202457	0	44	-1.0	-45.31	389.30	5.05	-40.26
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1NCC1=CC=CC=C1	REAL300020202457	1	44	-1.0	-45.27	389.36	5.02	-40.25
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C2OCCO2)=C1	REAL300020202458	0	38	-1.0	-46.86	345.50	1.70	-45.16
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C2OCCO2)=C1	REAL300020202458	1	38	-1.0	-46.85	345.56	1.68	-45.17
CN1C(=O)C=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202459	0	32	-1.0	-47.69	297.36	0.73	-46.96
CN1C(=O)C=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202459	1	32	-1.0	-47.66	297.42	0.71	-46.95
C[N@H+](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCSC1	REAL300020202460	0	39	0.0	-67.09	337.95	2.68	-64.41
C[N@@H+](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCSC1	REAL300020202460	1	39	0.0	-68.17	337.75	2.70	-65.47
CN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCSC1	REAL300020202460	1	38	-1.0	-44.97	332.98	0.34	-44.63
CN(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCSC1	REAL300020202460	1	38	-1.0	-44.96	333.03	0.31	-44.65
CCOC(=O)C1=C2N=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N2N=C1	REAL300020202461	0	40	-1.0	-51.83	376.87	2.91	-48.92
CCOC(=O)C1=C2N=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N2N=C1	REAL300020202461	1	40	-1.0	-51.88	376.82	2.93	-48.95
NC(=O)C1=C2N=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N2N=C1	REAL300020202462	0	35	-1.0	-53.95	335.40	-1.96	-55.91
NC(=O)C1=C2N=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N2N=C1	REAL300020202462	1	35	-1.0	-54.01	335.35	-1.93	-55.94
NS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CO1	REAL300020202463	0	31	-1.0	-51.53	318.24	-4.96	-56.49
NS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CO1	REAL300020202463	1	31	-1.0	-51.49	318.29	-4.98	-56.47
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC=C2)C=N1	REAL300020202464	0	35	-1.0	-51.81	334.69	3.72	-48.09
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC=C2)C=N1	REAL300020202464	1	35	-1.0	-51.85	334.63	3.75	-48.10
CC(C)CN1N=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C(F)F	REAL300020202465	0	41	-1.0	-47.49	365.70	2.80	-44.69
CC(C)CN1N=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C(F)F	REAL300020202465	1	41	-1.0	-47.44	365.75	2.78	-44.66
CC1=CN2C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CN=C2C=C1	REAL300020202466	0	35	-1.0	-49.30	325.11	2.99	-46.31
CC1=CN2C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CN=C2C=C1	REAL300020202466	1	35	-1.0	-49.34	325.05	3.02	-46.32
NC(=O)NC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020202467	0	32	-1.0	-53.65	305.65	-4.04	-57.69
NC(=O)NC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020202467	1	32	-1.0	-53.59	305.70	-4.07	-57.66
COC(=O)C1=CC=CC=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202468	0	38	-1.0	-47.60	350.30	3.10	-44.50
COC(=O)C1=CC=CC=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202468	1	38	-1.0	-47.54	350.35	3.07	-44.47
CN(C)C1=CN=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020202469	0	35	-1.0	-46.79	324.00	0.06	-46.73
CN(C)C1=CN=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020202469	1	35	-1.0	-46.82	323.94	0.08	-46.74
CN1C=NN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1=O	REAL300020202470	0	32	-1.0	-57.89	311.44	1.19	-56.70
CN1C=NN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1=O	REAL300020202470	1	32	-1.0	-57.83	311.49	1.16	-56.67
CCC1=CC=CN=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202471	0	34	-1.0	-46.14	309.52	1.70	-44.44
CCC1=CC=CN=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202471	1	34	-1.0	-46.15	309.47	1.73	-44.42
CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C(F)F)=N1	REAL300020202472	0	32	-1.0	-50.56	313.07	0.67	-49.89
CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)F)=N1	REAL300020202472	1	32	-1.0	-50.55	313.12	0.64	-49.91
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC(Cl)=C1F	REAL300020202473	0	28	-1.0	-46.54	294.42	0.76	-45.78
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC(Cl)=C1F	REAL300020202473	1	28	-1.0	-46.56	294.37	0.80	-45.76
CC(OC1=CC=CC(CO)=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202474	0	40	-1.0	-49.85	361.20	0.57	-49.28
CC(OC1=CC=CC(CO)=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202474	1	40	-1.0	-49.80	361.25	0.54	-49.26
CC1=CC=C(CC2=NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CS2)C=C1	REAL300020202475	0	41	-1.0	-47.24	390.21	4.22	-43.02
CC1=CC=C(CC2=NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CS2)C=C1	REAL300020202475	1	41	-1.0	-47.25	390.26	4.19	-43.06
CC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202476	0	35	-1.0	-43.77	326.83	3.21	-40.56
CC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202476	1	35	-1.0	-43.71	326.89	3.19	-40.52
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Br)C=C1	REAL300020202477	0	35	-1.0	-44.23	340.07	3.91	-40.32
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Br)C=C1	REAL300020202477	1	35	-1.0	-44.19	340.12	3.88	-40.31
CC(C)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NN1C1=CC=CC=C1	REAL300020202478	0	45	-1.0	-48.60	395.86	4.74	-43.86
CC(C)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1C1=CC=CC=C1	REAL300020202478	1	45	-1.0	-48.58	395.91	4.71	-43.87
CSCC1=NOC(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020202479	0	37	-1.0	-47.36	360.53	0.20	-47.16
CSCC1=NOC(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020202479	1	37	-1.0	-47.30	360.58	0.17	-47.13
COCCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020202480	0	36	-1.0	-45.42	328.66	0.80	-44.62
COCCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020202480	1	36	-1.0	-45.40	328.71	0.77	-44.63
CCCN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1	REAL300020202481	0	34	-1.0	-48.67	322.40	-0.03	-48.70
CCCN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1	REAL300020202481	1	34	-1.0	-48.72	322.35	0.00	-48.72
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCCC1	REAL300020202482	0	44	-1.0	-43.37	349.63	3.80	-39.57
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCCC1	REAL300020202482	1	44	-1.0	-43.30	349.68	3.78	-39.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1OCCC2=CC=CC=C21	REAL300020202483	0	37	-1.0	-45.00	329.26	2.33	-42.67
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1OCCC2=CC=CC=C21	REAL300020202483	1	37	-1.0	-44.93	329.31	2.30	-42.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=C3OCCC3=C2)=NO1	REAL300020202484	0	40	-1.0	-46.39	372.92	2.87	-43.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=C3OCCC3=C2)=NO1	REAL300020202484	1	40	-1.0	-46.42	372.87	2.90	-43.52
CCCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202485	0	51	-1.0	-45.17	423.42	1.83	-43.34
CCCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202485	1	51	-1.0	-45.11	423.48	1.80	-43.31
CNC(=O)COC1=CC=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202486	0	43	-1.0	-58.45	392.86	1.60	-56.85
CNC(=O)COC1=CC=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202486	1	43	-1.0	-58.40	392.91	1.57	-56.83
CC1=CC(F)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202487	0	32	-1.0	-42.78	300.67	2.80	-39.98
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CS(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202488	0	35	-1.0	-52.19	343.43	-0.33	-52.52
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CC1(C)CCC2=C(C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C(=O)N2)C1	REAL300020202528	0	45	-1.0	-52.14	378.98	2.59	-49.55
CC1(C)CCC2=C(C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C(=O)N2)C1	REAL300020202528	1	45	-1.0	-52.08	379.03	2.56	-49.52
NC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020202529	0	30	-1.0	-45.22	301.08	-3.07	-48.29
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CC1(C)CCCCC1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202591	1	44	-1.0	-43.49	349.45	3.60	-39.89
O=C(CC1CSCCS1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202592	0	34	-1.0	-46.56	325.25	2.59	-43.97
O=C(CC1CSCCS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202592	1	34	-1.0	-46.52	325.30	2.56	-43.96
CC1=CC(S(N)(=O)=O)=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C	REAL300020202593	0	40	-1.0	-49.35	365.30	-1.77	-51.12
CC1=CC(S(N)(=O)=O)=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C	REAL300020202593	1	40	-1.0	-49.31	365.35	-1.80	-51.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(C=CO2)N1	REAL300020202594	0	30	-1.0	-46.81	292.40	0.06	-46.75
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(C=CO2)N1	REAL300020202594	1	30	-1.0	-46.76	292.46	0.03	-46.73
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=CN=CN2C=C1	REAL300020202595	1	32	-1.0	-47.53	305.48	3.46	-44.07
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C[NH+]=CN2C=C1	REAL300020202595	1	33	0.0	-68.74	308.90	3.96	-64.78
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CCSCC1	REAL300020202596	0	38	-1.0	-44.22	331.61	0.37	-43.85
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CCSCC1	REAL300020202596	1	38	-1.0	-44.15	331.67	0.34	-43.81
NC(=O)C1=CN=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=C1	REAL300020202597	0	32	-1.0	-48.50	322.69	-2.40	-50.90
NC(=O)C1=CN=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Cl)=C1	REAL300020202597	1	32	-1.0	-48.54	322.64	-2.37	-50.91
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2CCCCN2N=C1	REAL300020202598	0	36	-1.0	-47.22	322.28	1.45	-45.77
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2CCCCN2N=C1	REAL300020202598	1	36	-1.0	-47.18	322.34	1.42	-45.76
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)NC2=CC=C(C)C=C21	REAL300020202599	0	39	-1.0	-44.94	350.95	3.35	-41.59
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)NC2=CC=C(C)C=C21	REAL300020202599	1	39	-1.0	-44.90	351.00	3.33	-41.57
COC1=CC=C(C2=NNC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)C=C1	REAL300020202600	0	40	-1.0	-46.40	369.11	1.39	-45.01
COC1=CC=C(C2=NNC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)C=C1	REAL300020202600	1	40	-1.0	-46.36	369.16	1.37	-44.99
O=C(CC1=CSC2=CC=C(Cl)C=C12)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202601	0	35	-1.0	-47.26	355.96	4.62	-42.64
O=C(CC1=CSC2=CC=C(Cl)C=C12)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202601	1	35	-1.0	-47.20	356.01	4.59	-42.61
CC1=NC(Cl)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202602	0	31	-1.0	-43.31	306.38	1.37	-41.94
CC1=NC(Cl)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202602	1	31	-1.0	-43.29	306.43	1.34	-41.95
CC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)S1	REAL300020202603	0	31	-1.0	-46.08	305.68	0.59	-45.49
CC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)S1	REAL300020202603	1	31	-1.0	-46.08	305.73	0.56	-45.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(SC2=CC=CC=C2)CC1	REAL300020202604	0	37	-1.0	-43.48	349.74	4.44	-39.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(SC2=CC=CC=C2)CC1	REAL300020202604	1	37	-1.0	-43.43	349.80	4.42	-39.01
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)S(=O)(=O)C1CCOCC1	REAL300020202605	0	42	-1.0	-57.04	372.98	-1.52	-58.56
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)S(=O)(=O)C1CCOCC1	REAL300020202605	1	42	-1.0	-56.94	373.03	-1.55	-58.49
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1CCC(C)C	REAL300020202606	0	44	-1.0	-46.37	381.16	3.22	-43.15
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1CCC(C)C	REAL300020202606	1	44	-1.0	-46.35	381.21	3.19	-43.16
CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC=N1	REAL300020202607	0	31	-1.0	-44.19	303.87	0.54	-43.65
CCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=N1	REAL300020202607	1	31	-1.0	-44.10	303.92	0.51	-43.59
N#CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1	REAL300020202608	0	28	-1.0	-45.18	286.62	0.15	-45.03
N#CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1	REAL300020202608	1	28	-1.0	-45.14	286.67	0.12	-45.02
O=C(CCC1=CC=C(F)C=C1F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202609	0	35	-1.0	-44.30	336.10	3.65	-40.65
O=C(CCC1=CC=C(F)C=C1F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202609	1	35	-1.0	-44.26	336.15	3.62	-40.64
CC1=CC=C(C(C)C)C(OCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202610	0	48	-1.0	-45.30	412.73	5.07	-40.23
CC1=CC=C(C(C)C)C(OCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202610	1	48	-1.0	-45.30	412.78	5.04	-40.26
CC(C)C1=CC=CC=C1OCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202611	0	45	-1.0	-45.20	391.32	4.40	-40.80
CC(C)C1=CC=CC=C1OCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202611	1	45	-1.0	-45.20	391.37	4.37	-40.83
CN1N=C2CCCCC2=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202612	0	39	-1.0	-44.97	346.82	2.11	-42.86
CN1N=C2CCCCC2=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202612	1	39	-1.0	-44.94	346.88	2.09	-42.85
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC(C2=CC=NC=C2)=N1	REAL300020202613	0	34	-1.0	-47.53	340.77	1.11	-46.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC(C2=CC=NC=C2)=N1	REAL300020202613	1	34	-1.0	-47.51	340.83	1.08	-46.43
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2N=CNC2=CC=C1	REAL300020202614	0	32	-1.0	-54.70	303.39	1.85	-52.85
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2N=CNC2=CC=C1	REAL300020202614	1	32	-1.0	-54.66	303.44	1.84	-52.82
CCOC=C(C#N)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202615	0	31	-1.0	-49.47	308.47	0.45	-49.02
CCOC=C(C#N)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202615	1	31	-1.0	-49.45	308.52	0.42	-49.03
O=C(CCCN1C=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202616	0	36	-1.0	-47.91	331.53	3.43	-44.48
O=C(CCCN1C=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202616	1	36	-1.0	-47.87	331.58	3.40	-44.47
CCCC1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCO1	REAL300020202617	0	42	-1.0	-43.85	358.56	2.26	-41.59
CCCC1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCO1	REAL300020202617	1	42	-1.0	-43.83	358.61	2.23	-41.60
O=C(CCCC1=CSC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202618	0	35	-1.0	-45.61	335.72	3.26	-42.35
O=C(CCCC1=CSC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202618	1	35	-1.0	-45.58	335.77	3.23	-42.35
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020202619	0	43	-1.0	-47.57	376.74	1.34	-46.23
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020202619	1	43	-1.0	-47.55	376.79	1.32	-46.23
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C12CCC(CC1)C2	REAL300020202620	0	36	-1.0	-43.60	311.35	2.55	-41.05
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C12CCC(CC1)C2	REAL300020202620	1	36	-1.0	-43.56	311.41	2.52	-41.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1N1C=CN=N1	REAL300020202621	0	35	-1.0	-54.98	329.51	1.90	-53.08
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1N1C=CN=N1	REAL300020202621	1	35	-1.0	-55.01	329.45	1.92	-53.09
O=C(COCC(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202622	0	29	-1.0	-49.40	296.97	0.54	-48.86
O=C(COCC(F)(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202622	1	29	-1.0	-49.39	297.02	0.51	-48.88
COC1=CC2=NNN=C2C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202623	0	35	-1.0	-47.91	325.03	-0.08	-47.99
COC1=CC2=NNN=C2C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202623	1	35	-1.0	-47.88	325.08	-0.11	-47.99
C[NH+]1CCC(C)(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020202624	0	41	0.0	-59.11	335.67	2.55	-56.56
C[NH+]1CCC(C)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020202624	1	41	0.0	-59.04	335.72	2.53	-56.51
CCC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CO1	REAL300020202625	0	31	-1.0	-45.83	300.70	-1.84	-47.67
CCC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CO1	REAL300020202625	1	31	-1.0	-45.79	300.75	-1.87	-47.66
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC2=NNN=C2C=C1	REAL300020202626	0	30	-1.0	-48.30	295.26	-1.30	-49.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC2=NNN=C2C=C1	REAL300020202626	1	30	-1.0	-48.27	295.31	-1.33	-49.60
O=C(CC1=CC=C2CC(=O)NC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202627	0	37	-1.0	-48.78	344.80	1.18	-47.60
O=C(CC1=CC=C2CC(=O)NC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202627	1	37	-1.0	-48.73	344.85	1.17	-47.56
CC1=CC=NC=C1C=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202628	0	35	-1.0	-46.52	325.47	2.01	-44.51
CC1=CC=NC=C1C=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202628	1	35	-1.0	-46.50	325.53	1.98	-44.52
CC1=NOC(C2=CC=CC=C2)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202629	0	38	-1.0	-45.11	355.08	3.53	-41.58
CC1=NOC(C2=CC=CC=C2)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202629	1	38	-1.0	-45.13	355.03	3.55	-41.58
CCC(C)(C)[NH2+]C(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202630	0	43	0.0	-59.54	343.80	1.07	-58.47
CCC(C)(C)[NH2+]C(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202630	1	43	0.0	-59.48	343.84	1.05	-58.43
CCCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1=CC=CC=C1	REAL300020202631	0	45	-1.0	-47.48	397.28	5.13	-42.35
CCCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C1=CC=CC=C1	REAL300020202631	1	45	-1.0	-47.43	397.34	5.10	-42.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL300020202632	0	39	-1.0	-43.64	374.96	1.83	-41.81
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL300020202632	1	39	-1.0	-43.72	374.91	1.86	-41.86
CC1=CC=C(C(F)(F)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020202633	0	35	-1.0	-44.43	333.85	3.51	-40.92
CC1=CC=C(C(F)(F)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020202633	1	35	-1.0	-44.46	333.91	3.48	-40.98
COC(=O)CCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202634	0	34	-1.0	-50.84	319.78	1.34	-49.50
COC(=O)CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202634	1	34	-1.0	-50.79	319.83	1.31	-49.48
CN1N=NC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CN=C21	REAL300020202635	0	33	-1.0	-46.68	317.27	-0.33	-47.01
CN1N=NC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CN=C21	REAL300020202635	1	33	-1.0	-46.71	317.22	-0.30	-47.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)C=N1	REAL300020202636	0	28	-1.0	-44.09	281.88	0.40	-43.69
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(F)C=N1	REAL300020202636	1	28	-1.0	-44.11	281.83	0.43	-43.68
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC(C2CC2)=C1	REAL300020202637	0	35	-1.0	-44.80	323.16	2.34	-42.46
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC(C2CC2)=C1	REAL300020202637	1	35	-1.0	-44.72	323.21	2.31	-42.41
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NN1C1=CC=CC(C#N)=C1	REAL300020202638	0	40	-1.0	-53.21	380.71	4.04	-49.17
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1C1=CC=CC(C#N)=C1	REAL300020202638	1	40	-1.0	-53.18	380.76	4.01	-49.17
CO[C@@H](C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020202639	0	36	-1.0	-45.20	334.65	2.90	-42.30
CO[C@@H](C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020202639	1	36	-1.0	-45.19	334.70	2.87	-42.32
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Cl)=C1C	REAL300020202640	0	35	-1.0	-45.84	326.42	3.69	-42.15
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=C1C	REAL300020202640	1	35	-1.0	-45.82	326.47	3.66	-42.16
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=NSN=C2C([N+](=O)[O-])=C1	REAL300020202641	0	32	-1.0	-48.31	329.59	1.15	-47.16
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=NSN=C2C([N+](=O)[O-])=C1	REAL300020202641	1	32	-1.0	-48.38	329.54	1.18	-47.20
CC1=CC(F)=CC=C1N1C=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020202642	0	39	-1.0	-47.27	367.39	4.19	-43.08
CC1=CC(F)=CC=C1N1C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020202642	1	39	-1.0	-47.30	367.33	4.21	-43.09
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CN1N=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C1=CC=CC=C1	REAL300020202698	0	39	-1.0	-47.77	353.85	3.07	-44.70
CN1N=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C1=CC=CC=C1	REAL300020202698	1	39	-1.0	-47.71	353.80	3.10	-44.61
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CC(C)(C)SC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=N1	REAL300020202700	0	41	-1.0	-44.76	369.43	4.37	-40.39
CC(C)(C)SC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=N1	REAL300020202700	1	41	-1.0	-44.79	369.38	4.39	-40.40
CCC1=CC=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202701	0	34	-1.0	-46.25	318.41	1.78	-44.47
CCC1=CC=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202701	1	34	-1.0	-46.17	318.46	1.75	-44.42
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CCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1CC	REAL300020202703	0	41	-1.0	-44.68	355.27	4.62	-40.06
CCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1CC	REAL300020202703	1	41	-1.0	-44.63	355.32	4.59	-40.04
CC1=CC=CC(C)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202704	0	38	-1.0	-45.59	336.93	3.77	-41.82
CC1=CC=CC(C)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202704	1	38	-1.0	-45.55	336.98	3.74	-41.81
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CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC2=NC(C)=NC(N)=C12	REAL300020202707	0	38	-1.0	-47.07	352.84	1.03	-46.04
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC2=NC(C)=NC(N)=C12	REAL300020202707	1	38	-1.0	-46.99	352.89	1.00	-45.99
CC1=NC(N)=NC(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202708	0	35	-1.0	-45.60	326.67	0.33	-45.27
CC1=NC(N)=NC(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202708	1	35	-1.0	-45.52	326.72	0.30	-45.22
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1OC(F)(F)F	REAL300020202709	0	33	-1.0	-46.80	322.04	3.12	-43.68
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1OC(F)(F)F	REAL300020202709	1	33	-1.0	-46.75	322.09	3.09	-43.66
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202710	0	41	-1.0	-52.32	380.64	-0.53	-52.85
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202710	1	41	-1.0	-52.24	380.69	-0.56	-52.80
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300020202711	0	34	-1.0	-43.89	340.67	3.50	-40.39
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CSC1=CC=CC=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202712	0	36	-1.0	-47.52	340.31	3.64	-43.88
CSC1=CC=CC=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202712	1	36	-1.0	-47.46	340.36	3.61	-43.85
COCCOC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=N1	REAL300020202713	0	39	-1.0	-47.63	361.13	-1.03	-48.66
COCCOC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=N1	REAL300020202713	1	39	-1.0	-47.68	361.07	-1.00	-48.68
CC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(F)=C1	REAL300020202714	0	34	-1.0	-48.34	323.25	2.53	-45.81
CC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(F)=C1	REAL300020202714	1	34	-1.0	-48.27	323.30	2.50	-45.77
COC1=NC(C)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202715	0	35	-1.0	-48.29	324.83	0.65	-47.64
COC1=NC(C)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202715	1	35	-1.0	-48.27	324.88	0.62	-47.65
O=C(C=C1CCSCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202716	0	34	-1.0	-43.63	313.83	2.56	-41.07
O=C(C=C1CCSCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202716	1	34	-1.0	-43.58	313.88	2.53	-41.05
CCCC(CCC)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202717	0	43	-1.0	-43.40	360.30	3.92	-39.48
CCCC(CCC)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202717	1	43	-1.0	-43.35	360.35	3.89	-39.46
O=C(CCCC(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202718	0	31	-1.0	-46.72	303.95	1.69	-45.03
O=C(CCCC(F)(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202718	1	31	-1.0	-46.64	304.01	1.67	-44.97
CCCC(=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)CCC	REAL300020202719	0	41	-1.0	-42.99	355.58	4.10	-38.89
CCCC(=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)CCC	REAL300020202719	1	41	-1.0	-42.94	355.63	4.07	-38.87
COCC1=NN=C(C2=CC=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)O1	REAL300020202720	0	41	-1.0	-52.81	384.77	-2.23	-55.04
COCC1=NN=C(C2=CC=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)O1	REAL300020202720	1	41	-1.0	-52.71	384.82	-2.26	-54.97
CC1=CSC2=NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C(=O)N12	REAL300020202721	0	34	-1.0	-52.95	328.29	1.96	-50.99
CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)CC1=CC=C(Cl)C=C1	REAL300020202722	0	41	-1.0	-45.36	375.11	5.25	-40.11
CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)CC1=CC=C(Cl)C=C1	REAL300020202722	1	41	-1.0	-45.35	375.16	5.22	-40.13
O=C(C=CC1=CC=C(O)C(O)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202723	0	35	-1.0	-48.84	334.47	-1.65	-50.49
O=C(C=CC1=CC=C(O)C(O)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202723	1	35	-1.0	-48.82	334.52	-1.68	-50.50
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C2=NN=CO2)=C1	REAL300020202724	0	34	-1.0	-52.42	329.12	-2.02	-54.44
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C2=NN=CO2)=C1	REAL300020202724	1	34	-1.0	-52.36	329.17	-2.05	-54.41
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1O	REAL300020202725	0	33	-1.0	-45.87	309.23	-0.03	-45.90
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1O	REAL300020202725	1	33	-1.0	-45.82	309.28	-0.05	-45.87
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2C=CNC2=N1	REAL300020202726	0	32	-1.0	-48.36	306.63	1.41	-46.95
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2C=CNC2=N1	REAL300020202726	1	32	-1.0	-48.30	306.68	1.38	-46.92
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)NC=C1	REAL300020202727	0	32	-1.0	-57.26	296.83	-0.02	-57.28
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)NC=C1	REAL300020202727	1	32	-1.0	-57.22	296.88	-0.05	-57.27
CC1=CC(O)=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202728	0	33	-1.0	-46.29	310.64	-0.12	-46.41
CC1=CC(O)=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202728	1	33	-1.0	-46.29	310.69	-0.15	-46.44
CN1C=NC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CN=C21	REAL300020202729	0	34	-1.0	-50.84	321.65	2.54	-48.30
CN1C=NC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CN=C21	REAL300020202729	1	34	-1.0	-50.92	321.59	2.57	-48.35
CC(O)C(NC(=O)C1CCCC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202730	0	46	-1.0	-46.69	388.79	-0.01	-46.70
CC(O)C(NC(=O)C1CCCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202730	1	46	-1.0	-46.65	388.84	-0.03	-46.68
CC(O)C(NC(=O)C1CC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202731	0	40	-1.0	-46.99	355.62	-1.17	-48.16
CC(O)C(NC(=O)C1CC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202731	1	40	-1.0	-47.04	355.67	-1.20	-48.24
CC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C2=CC=CC=C2)S1	REAL300020202732	0	38	-1.0	-47.18	364.18	3.59	-43.59
CC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C2=CC=CC=C2)S1	REAL300020202732	1	38	-1.0	-47.12	364.23	3.57	-43.55
CSC(C)CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202733	0	35	-1.0	-45.44	325.30	2.29	-43.15
CSC(C)CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202733	1	35	-1.0	-45.38	325.35	2.26	-43.12
COC1=C(C)C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C	REAL300020202734	0	39	-1.0	-44.26	351.71	2.96	-41.30
COC1=C(C)C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C	REAL300020202734	1	39	-1.0	-44.25	351.76	2.94	-41.31
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C(F)(F)F)C=C1O	REAL300020202735	0	33	-1.0	-44.44	325.73	1.61	-42.83
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C(F)(F)F)C=C1O	REAL300020202735	1	33	-1.0	-44.40	325.79	1.58	-42.82
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300020202735	1	32	-2.0	-93.63	322.17	2.62	-91.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300020202735	1	32	-2.0	-93.59	322.22	2.59	-91.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2C=CC=NN21	REAL300020202736	0	32	-1.0	-50.85	305.26	2.06	-48.79
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2C=CC=NN21	REAL300020202736	1	32	-1.0	-50.92	305.21	2.08	-48.84
CC(C)C1=CC=CC(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)O2)=C1	REAL300020202737	0	45	-1.0	-46.46	402.08	5.72	-40.74
CC(C)C1=CC=CC(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)O2)=C1	REAL300020202737	1	45	-1.0	-46.42	402.14	5.69	-40.73
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(F)C(Cl)=C1F	REAL300020202738	0	29	-1.0	-45.92	304.77	2.68	-43.24
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)C(Cl)=C1F	REAL300020202738	1	29	-1.0	-45.89	304.82	2.65	-43.24
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(O)C=C1F	REAL300020202739	0	30	-1.0	-47.55	293.73	-0.70	-48.25
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(O)C=C1F	REAL300020202739	1	30	-1.0	-47.49	293.78	-0.73	-48.22
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([O-])C=C1F	REAL300020202739	1	29	-2.0	-87.97	290.16	0.08	-87.89
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([O-])C=C1F	REAL300020202739	1	29	-2.0	-88.00	290.22	0.05	-87.95
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=CN=C1C1=CC=CC=C1	REAL300020202740	0	37	-1.0	-45.63	341.90	3.56	-42.07
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Br)N=CS1	REAL300020202741	0	25	-1.0	-45.39	283.35	-0.30	-45.69
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Br)N=CS1	REAL300020202741	1	25	-1.0	-45.41	283.29	-0.28	-45.69
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1N=NN=C1C(C)(C)C	REAL300020202742	0	42	-1.0	-50.94	364.59	1.03	-49.91
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1N=NN=C1C(C)(C)C	REAL300020202742	1	42	-1.0	-51.01	364.53	1.06	-49.95
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CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NN1C1=CC=C(F)C=C1	REAL300020202744	0	39	-1.0	-47.95	366.28	3.73	-44.22
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1C1=CC=C(F)C=C1	REAL300020202744	1	39	-1.0	-47.95	366.33	3.70	-44.25
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NN1C1=CC=C(C)C=C1	REAL300020202745	0	42	-1.0	-48.89	381.27	4.33	-44.56
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1C1=CC=C(C)C=C1	REAL300020202745	1	42	-1.0	-48.88	381.33	4.31	-44.57
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COC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020202826	1	36	-1.0	-46.51	335.21	2.86	-43.65
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(=O)N1	REAL300020202827	0	32	-1.0	-50.25	304.64	-0.45	-50.70
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CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C=NC=N1	REAL300020202833	0	31	-1.0	-51.04	296.48	1.91	-49.13
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C=NC=N1	REAL300020202833	1	31	-1.0	-51.09	296.43	1.94	-49.15
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC(N(C)C)=N1	REAL300020202834	0	36	-1.0	-46.11	339.13	1.52	-44.59
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC(N(C)C)=N1	REAL300020202834	1	36	-1.0	-46.08	339.18	1.49	-44.59
CCOC(=O)C1=CN=C(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020202835	0	40	-1.0	-45.86	366.29	2.52	-43.34
CCOC(=O)C1=CN=C(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020202835	1	40	-1.0	-45.85	366.34	2.49	-43.36
CC1=C(C#N)C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NO1	REAL300020202836	0	32	-1.0	-50.01	321.13	1.35	-48.66
CC1=C(C#N)C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NO1	REAL300020202836	1	32	-1.0	-50.01	321.18	1.32	-48.69
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CCC2=CC=CC=C21	REAL300020202837	0	41	-1.0	-45.59	349.18	2.24	-43.35
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CCC2=CC=CC=C21	REAL300020202837	1	41	-1.0	-45.56	349.23	2.21	-43.35
CN1C(=O)OC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=CC=C21	REAL300020202838	0	35	-1.0	-56.11	331.43	2.48	-53.63
CN1C(=O)OC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=CC=C21	REAL300020202838	1	35	-1.0	-56.10	331.49	2.45	-53.65
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CC1=NC2=CC=NN2C(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202843	0	37	-1.0	-46.57	343.43	1.84	-44.73
CC1=NC2=CC=NN2C(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202843	1	37	-1.0	-46.54	343.48	1.81	-44.73
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=CC(N2CCOCC2)=C1	REAL300020202845	1	41	-1.0	-45.77	357.35	-0.94	-46.71
CC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1Br	REAL300020202846	0	32	-1.0	-45.53	312.67	3.26	-42.27
CC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1Br	REAL300020202846	1	32	-1.0	-45.50	312.72	3.23	-42.27
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C[N@H+](CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCCC1	REAL300020202932	0	47	0.0	-65.93	376.82	4.06	-61.87
C[N@@H+](CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCCC1	REAL300020202932	1	47	0.0	-65.40	376.83	4.06	-61.34
C[N@H+](CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCCC1	REAL300020202932	1	47	0.0	-65.87	376.87	4.05	-61.82
C[N@@H+](CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCCC1	REAL300020202932	1	47	0.0	-65.41	376.88	4.05	-61.36
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CCC1CCCCC1OCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202933	1	45	-1.0	-46.09	377.22	4.00	-42.09
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COC1=CC=C(SCCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020203134	0	43	-1.0	-47.75	394.00	4.07	-43.68
COC1=CC=C(SCCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020203134	1	43	-1.0	-47.68	394.05	4.04	-43.64
CN(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCS(=O)(=O)C1	REAL300020203135	0	40	-1.0	-53.77	356.23	-3.19	-56.96
CN(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCS(=O)(=O)C1	REAL300020203135	1	40	-1.0	-53.75	356.28	-3.22	-56.97
COC1=CC=CC(CC(O)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020203136	0	40	-1.0	-46.40	363.46	0.77	-45.63
COC1=CC=CC(CC(O)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020203136	1	40	-1.0	-46.34	363.51	0.74	-45.60
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203137	0	43	-1.0	-55.71	373.30	2.12	-53.59
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203137	1	43	-1.0	-55.68	373.36	2.09	-53.59
CC1C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCN1C(=O)OC(C)(C)C	REAL300020203138	0	49	-1.0	-46.51	406.47	2.59	-43.92
CC1C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCN1C(=O)OC(C)(C)C	REAL300020203138	1	49	-1.0	-46.43	406.52	2.56	-43.87
CC(C)N1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020203139	0	35	-1.0	-46.64	323.46	1.17	-45.47
CC(C)N1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020203139	1	35	-1.0	-46.64	323.41	1.20	-45.44
NC(=O)C1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020203140	0	39	-1.0	-52.68	339.74	-1.02	-53.70
NC(=O)C1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020203140	1	39	-1.0	-52.60	339.79	-1.05	-53.65
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COC(=O)C1=CC(O)=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020203144	0	36	-1.0	-49.33	343.99	-0.14	-49.47
COC(=O)C1=CC(O)=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020203144	1	36	-1.0	-49.29	344.04	-0.17	-49.46
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CC(=O)[C@@H]1C[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1(C)C	REAL300020203146	0	40	-1.0	-49.14	330.30	4.30	-44.84
CC(=O)[C@@H]1C[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1(C)C	REAL300020203146	1	40	-1.0	-49.11	330.35	4.27	-44.84
COC1=CC(C)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203147	0	36	-1.0	-48.08	326.93	3.29	-44.79
COC1=CC(C)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203147	1	36	-1.0	-48.00	326.98	3.26	-44.74
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CNC(=O)CCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203192	0	38	-1.0	-49.60	345.43	-0.36	-49.96
CNC(=O)CCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203192	1	38	-1.0	-49.58	345.49	-0.39	-49.97
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CS(=O)C1=CC=CC=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203198	1	37	-1.0	-53.73	344.52	1.92	-51.81
CSC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1[N+](=O)[O-]	REAL300020203199	0	35	-1.0	-56.56	344.74	4.96	-51.60
CSC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1[N+](=O)[O-]	REAL300020203199	1	35	-1.0	-56.53	344.80	4.93	-51.60
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CC(=O)CCC1=CC=C(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020203200	1	44	-1.0	-50.39	399.28	4.74	-45.65
COC1=CC=C(OC)C(NC(=O)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020203201	0	41	-1.0	-49.21	373.67	-0.98	-50.19
COC1=CC=C(OC)C(NC(=O)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020203201	1	41	-1.0	-49.21	373.72	-1.01	-50.22
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300020203202	1	32	-1.0	-43.84	322.51	3.10	-40.74
CC(C)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020203203	0	40	-1.0	-47.28	363.21	4.55	-42.73
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CC12CC3(C)CC(C)(C1)CC(C(=O)NCC1=NC(C4=N[N-]N=N4)=CS1)(C2)C3	REAL300020203286	0	52	-1.0	-43.27	403.53	5.45	-37.82
CC12CC3(C)CC(C)(C1)CC(C(=O)NCC1=NC(C4=NN=N[N-]4)=CS1)(C2)C3	REAL300020203286	1	52	-1.0	-43.21	403.58	5.42	-37.79
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COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(OC)=C1Cl	REAL300020203287	1	37	-1.0	-46.69	352.09	2.52	-44.17
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CC1CCCC1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203290	1	38	-1.0	-43.74	326.96	2.93	-40.81
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(F)C=N1	REAL300020203405	1	28	-1.0	-44.11	281.83	0.43	-43.68
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C(F)F)CCCCC1	REAL300020203406	0	38	-1.0	-45.50	324.80	3.03	-42.47
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C(F)F)CCCCC1	REAL300020203406	1	38	-1.0	-45.44	324.85	3.00	-42.44
CSCC(C)(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203407	0	35	-1.0	-42.89	321.04	2.04	-40.85
CSCC(C)(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203407	1	35	-1.0	-42.85	321.09	2.01	-40.84
CC(C)C(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)NC(=O)OC(C)(C)C	REAL300020203408	0	51	-1.0	-48.85	419.04	1.82	-47.03
CC(C)C(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)NC(=O)OC(C)(C)C	REAL300020203408	1	51	-1.0	-48.84	419.09	1.79	-47.05
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CN2N=NN=C2N1C	REAL300020203409	0	37	-1.0	-48.23	330.90	2.07	-46.16
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CN2N=NN=C2N1C	REAL300020203409	1	37	-1.0	-48.26	330.84	2.10	-46.16
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=CC(N2C=CN=N2)=C1	REAL300020203410	0	34	-1.0	-52.04	325.79	0.16	-51.88
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=CC(N2C=CN=N2)=C1	REAL300020203410	1	34	-1.0	-52.10	325.74	0.19	-51.91
O=C(C=CC1=CN=CS1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203411	0	29	-1.0	-45.40	298.07	0.52	-44.88
O=C(C=CC1=CN=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203411	1	29	-1.0	-45.39	298.12	0.49	-44.90
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL300020203412	0	32	-1.0	-47.96	342.21	3.46	-44.50
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL300020203412	1	32	-1.0	-47.97	342.15	3.49	-44.48
CN1C=C(OC2=CC=CC=C2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020203413	0	40	-1.0	-51.21	368.90	3.81	-47.40
CN1C=C(OC2=CC=CC=C2C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020203413	1	40	-1.0	-51.25	368.85	3.83	-47.42
COC1=CC=CC=C1N1N=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C	REAL300020203414	0	43	-1.0	-50.49	385.19	3.16	-47.33
COC1=CC=CC=C1N1N=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C	REAL300020203414	1	43	-1.0	-50.47	385.25	3.14	-47.33
NC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1Cl	REAL300020203415	0	32	-1.0	-52.46	322.83	-2.47	-54.93
NC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1Cl	REAL300020203415	1	32	-1.0	-52.53	322.78	-2.44	-54.97
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@H]1C[C@@H]1C(F)F	REAL300020203416	0	29	-1.0	-45.58	285.96	1.43	-44.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@H]1C[C@@H]1C(F)F	REAL300020203416	1	29	-1.0	-45.55	286.01	1.40	-44.15
O=C(CC1=CC=C(Cl)S1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203417	0	29	-1.0	-44.57	310.10	2.48	-42.09
O=C(CC1=CC=C(Cl)S1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203417	1	29	-1.0	-44.48	310.16	2.45	-42.03
CCC(C)CCC(O)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203418	0	44	-1.0	-46.66	373.79	1.63	-45.03
CCC(C)CCC(O)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203418	1	44	-1.0	-46.64	373.84	1.60	-45.04
NC1=C(F)C=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203419	0	31	-1.0	-41.84	310.19	0.89	-40.95
NC1=C(F)C=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203419	1	31	-1.0	-41.78	310.24	0.86	-40.92
CCC(O)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(Cl)=C1	REAL300020203420	0	39	-1.0	-44.87	358.45	1.96	-42.91
CCC(O)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(Cl)=C1	REAL300020203420	1	39	-1.0	-44.88	358.50	1.93	-42.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC(F)(F)C1	REAL300020203421	0	35	-1.0	-45.41	315.12	2.43	-42.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC(F)(F)C1	REAL300020203421	1	35	-1.0	-45.36	315.17	2.40	-42.96
CCC1=NC2=CC=CC=C2C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C	REAL300020203422	0	43	-1.0	-46.26	379.96	3.95	-42.31
CCC1=NC2=CC=CC=C2C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C	REAL300020203422	1	43	-1.0	-46.29	380.01	3.92	-42.37
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C(C=O)N1	REAL300020203423	0	32	-1.0	-50.83	306.82	0.06	-50.77
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C(C=O)N1	REAL300020203423	1	32	-1.0	-50.77	306.87	0.03	-50.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN2C=CC(Cl)=CC2=C1	REAL300020203424	0	32	-1.0	-46.72	326.32	2.21	-44.51
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN2C=CC(Cl)=CC2=C1	REAL300020203424	1	32	-1.0	-46.74	326.27	2.23	-44.51
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2NC(=O)NC2=N1	REAL300020203425	0	32	-1.0	-49.21	311.05	-1.82	-51.03
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2NC(=O)NC2=N1	REAL300020203425	1	32	-1.0	-49.12	311.10	-1.85	-50.97
CC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2CC2)=N1	REAL300020203426	0	37	-1.0	-44.21	337.23	2.35	-41.86
CC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2CC2)=N1	REAL300020203426	1	37	-1.0	-44.19	337.29	2.33	-41.86
CC1=CC=C2C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CSC2=C1	REAL300020203427	0	35	-1.0	-45.97	333.98	4.04	-41.93
CC1=CC=C2C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CSC2=C1	REAL300020203427	1	35	-1.0	-45.95	334.03	4.01	-41.94
O=C(CN1CCC2=CC=CC=C2C1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203428	0	40	-1.0	-51.97	361.66	3.19	-48.78
O=C(CN1CCC2=CC=CC=C2C1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203428	1	40	-1.0	-51.97	361.71	3.16	-48.81
CC1=C(Cl)C=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203429	0	32	-1.0	-43.45	308.11	3.17	-40.28
CC1=C(Cl)C=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203429	1	32	-1.0	-43.43	308.17	3.14	-40.29
CC1=CC(=O)N(CC(C)(O)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020203430	0	42	-1.0	-49.54	371.86	0.46	-49.08
CC1=CC(=O)N(CC(C)(O)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020203430	1	42	-1.0	-49.53	371.91	0.43	-49.10
CN(C)C1=CC(F)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020203431	0	39	-1.0	-47.95	362.85	3.43	-44.52
CN(C)C1=CC(F)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020203431	1	39	-1.0	-47.94	362.90	3.39	-44.55
NC1=NC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1[N+](=O)[O-]	REAL300020203432	0	32	-1.0	-50.67	314.86	0.74	-49.93
NC1=NC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1[N+](=O)[O-]	REAL300020203432	1	32	-1.0	-50.73	314.81	0.77	-49.96
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[NH+](C2CC2)CC1	REAL300020203433	0	42	0.0	-63.50	347.85	3.34	-60.16
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[NH+](C2CC2)CC1	REAL300020203433	1	42	0.0	-63.43	347.90	3.31	-60.12
CC(C)NC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020203434	0	39	-1.0	-45.80	348.48	1.38	-44.42
CC(C)NC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020203434	1	39	-1.0	-45.83	348.43	1.41	-44.42
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(OC(F)(F)Cl)C=C1	REAL300020203435	0	33	-1.0	-43.23	334.59	2.38	-40.85
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(OC(F)(F)Cl)C=C1	REAL300020203435	1	33	-1.0	-43.24	334.64	2.36	-40.88
CN1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C2C1=O	REAL300020203436	0	40	-1.0	-53.61	357.36	2.78	-50.83
CN1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C2C1=O	REAL300020203436	1	40	-1.0	-53.58	357.41	2.76	-50.82
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC=C1C1=CC=CC=C1F	REAL300020203437	0	37	-1.0	-53.46	350.32	3.63	-49.83
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC=C1C1=CC=CC=C1F	REAL300020203437	1	37	-1.0	-53.43	350.37	3.61	-49.82
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCOCC1	REAL300020203438	0	36	-1.0	-44.53	306.52	0.44	-44.09
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCOCC1	REAL300020203438	1	36	-1.0	-44.44	306.58	0.41	-44.03
CCCCCCCCCC(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203439	0	55	-1.0	-43.41	449.77	7.22	-36.19
CCCCCCCCCC(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203439	1	55	-1.0	-43.35	449.82	7.19	-36.16
CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC2=CC=CC=C12	REAL300020203440	0	42	-1.0	-46.53	372.25	4.12	-42.41
CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC2=CC=CC=C12	REAL300020203440	1	42	-1.0	-46.47	372.30	4.09	-42.38
N#CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1F	REAL300020203441	0	30	-1.0	-46.12	304.92	2.50	-43.62
N#CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1F	REAL300020203441	1	30	-1.0	-46.11	304.97	2.47	-43.64
CNC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020203442	0	33	-1.0	-46.38	307.99	-0.10	-46.48
CNC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020203442	1	33	-1.0	-46.45	307.94	-0.07	-46.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(O)=C2C=CSC2=C1	REAL300020203443	0	33	-1.0	-45.53	325.95	0.58	-44.95
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(O)=C2C=CSC2=C1	REAL300020203443	1	33	-1.0	-45.49	326.00	0.55	-44.94
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC2=CC=CN=C2S1	REAL300020203444	0	30	-1.0	-49.85	307.67	-0.42	-50.27
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC2=CC=CN=C2S1	REAL300020203444	1	30	-1.0	-49.93	307.61	-0.39	-50.32
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C12CCC[NH+]1CCC2	REAL300020203445	0	39	0.0	-57.70	323.05	2.43	-55.27
CC1=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)NC=N1	REAL300020203446	0	32	-1.0	-50.56	303.21	0.81	-49.75
CC1=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)NC=N1	REAL300020203446	1	32	-1.0	-50.52	303.26	0.78	-49.74
NC1=C(Cl)C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1Cl	REAL300020203447	0	31	-1.0	-44.05	317.79	1.09	-42.96
NC1=C(Cl)C=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1Cl	REAL300020203447	1	31	-1.0	-43.99	317.84	1.07	-42.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(NCC2CC2)N=C1	REAL300020203448	0	40	-1.0	-45.53	361.03	2.27	-43.26
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(NCC2CC2)N=C1	REAL300020203448	1	40	-1.0	-45.56	360.97	2.30	-43.26
CC1=C(C)SC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020203449	0	31	-1.0	-47.27	306.00	0.41	-46.86
CC1=C(C)SC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020203449	1	31	-1.0	-47.25	306.06	0.38	-46.87
CN1C=C2C(=N1)CCCC2C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203450	0	39	-1.0	-46.29	340.47	2.33	-43.96
CN1C=C2C(=N1)CCCC2C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203450	1	39	-1.0	-46.29	340.52	2.30	-43.99
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC(C2CC2)=N1	REAL300020203451	0	35	-1.0	-44.02	335.53	2.21	-41.81
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC(C2CC2)=N1	REAL300020203451	1	35	-1.0	-43.99	335.58	2.18	-41.81
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C(C#N)O1	REAL300020203452	0	30	-1.0	-44.30	301.96	1.40	-42.90
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C(C#N)O1	REAL300020203452	1	30	-1.0	-44.28	302.02	1.37	-42.91
O=C(CC1CCC(F)(F)C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203453	0	35	-1.0	-45.23	319.18	2.58	-42.65
O=C(CC1CCC(F)(F)C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203453	1	35	-1.0	-45.24	319.23	2.55	-42.69
O=C(CC1=C(Br)C(=O)NC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203454	0	32	-1.0	-57.91	324.72	0.16	-57.75
O=C(CC1=C(Br)C(=O)NC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203454	1	32	-1.0	-57.86	324.78	0.13	-57.73
COC1=CC=CC(C(C)CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020203455	0	48	-1.0	-47.14	411.01	4.75	-42.39
COC1=CC=CC(C(C)CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020203455	1	48	-1.0	-47.11	411.06	4.72	-42.39
CC1=CC(F)=CC(N2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N=N2)=C1	REAL300020203456	0	38	-1.0	-46.86	363.42	2.46	-44.40
CC1=CC(F)=CC(N2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N=N2)=C1	REAL300020203456	1	38	-1.0	-46.90	363.37	2.49	-44.41
CC1=NC2=C(CCCC2C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020203457	0	38	-1.0	-46.46	347.31	2.82	-43.64
CC1=NC2=C(CCCC2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020203457	1	38	-1.0	-46.34	347.36	2.79	-43.55
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=C(Cl)C=C2)=CN1	REAL300020203458	0	37	-1.0	-46.63	359.70	3.92	-42.71
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=C(Cl)C=C2)=CN1	REAL300020203458	1	37	-1.0	-46.67	359.75	3.89	-42.78
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CC(C)N1C=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020203539	1	35	-1.0	-48.59	325.16	2.58	-46.01
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CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)S(C)(=O)=O	REAL300020203541	0	37	-1.0	-50.26	328.90	-1.48	-51.74
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)S(C)(=O)=O	REAL300020203541	1	37	-1.0	-50.23	328.96	-1.51	-51.74
CCOC1=NC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C2N1	REAL300020203542	0	39	-1.0	-48.21	358.49	-0.53	-48.74
CCOC1=NC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C2N1	REAL300020203542	1	39	-1.0	-48.21	358.54	-0.56	-48.77
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CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SCCO1	REAL300020203546	1	32	-1.0	-45.28	301.82	0.98	-44.30
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CC(OC1=CC=CC2=CC=CC=C21)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203557	0	42	-1.0	-49.00	374.24	5.52	-43.48
CC(OC1=CC=CC2=CC=CC=C21)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203557	1	42	-1.0	-48.98	374.29	5.49	-43.49
CC(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CO1	REAL300020203558	0	35	-1.0	-44.82	321.36	2.24	-42.58
CC(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CO1	REAL300020203558	1	35	-1.0	-44.80	321.41	2.21	-42.59
CCC1=CN=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020203559	0	34	-1.0	-45.02	316.19	1.67	-43.35
CCC1=CN=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020203559	1	34	-1.0	-45.10	316.14	1.70	-43.40
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNN=C1C1=COC=C1	REAL300020203560	0	33	-1.0	-49.39	316.57	0.19	-49.20
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNN=C1C1=COC=C1	REAL300020203560	1	33	-1.0	-49.39	316.62	0.16	-49.23
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=NC=CN=C2C=C1F	REAL300020203561	0	33	-1.0	-49.16	318.80	0.55	-48.61
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=NC=CN=C2C=C1F	REAL300020203561	1	33	-1.0	-49.28	318.75	0.58	-48.70
CSC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC1	REAL300020203562	0	33	-1.0	-42.54	310.61	2.08	-40.46
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COC(=O)COCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203733	0	32	-1.0	-54.53	311.91	0.58	-53.95
COC(=O)COCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203733	1	32	-1.0	-54.50	311.96	0.55	-53.95
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C(C(C)C)O1	REAL300020203734	0	37	-1.0	-45.47	339.51	-0.42	-45.89
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C(C(C)C)O1	REAL300020203734	1	37	-1.0	-45.48	339.56	-0.45	-45.93
CC(C)(C)CCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203735	0	43	-1.0	-43.84	362.55	3.78	-40.06
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NS(=O)(=O)CCCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203740	1	39	-1.0	-56.03	364.10	-2.92	-58.95
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CN(C)S(=O)(=O)N(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203742	0	38	-1.0	-46.67	352.45	-2.36	-49.03
CN(C)S(=O)(=O)N(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203742	1	38	-1.0	-46.69	352.51	-2.39	-49.08
NS(=O)(=O)CCCCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203743	0	42	-1.0	-54.26	385.69	-2.13	-56.39
NS(=O)(=O)CCCCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203743	1	42	-1.0	-54.19	385.74	-2.16	-56.35
CCCC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)S(N)(=O)=O	REAL300020203744	0	36	-1.0	-50.31	332.62	-3.63	-53.94
CCCC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)S(N)(=O)=O	REAL300020203744	1	36	-1.0	-50.27	332.67	-3.65	-53.92
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203745	0	37	-1.0	-52.05	359.43	-3.78	-55.83
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203745	1	37	-1.0	-52.00	359.48	-3.81	-55.81
CN1C=NC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N=C21	REAL300020203746	0	34	-1.0	-48.93	323.75	2.61	-46.32
CN1C=NC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N=C21	REAL300020203746	1	34	-1.0	-48.97	323.70	2.63	-46.34
CNS(=O)(=O)N1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020203747	0	42	-1.0	-48.89	371.57	-2.81	-51.70
CNS(=O)(=O)N1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020203747	1	42	-1.0	-48.89	371.63	-2.84	-51.73
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300020203748	0	48	0.0	-56.91	393.06	6.44	-50.47
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300020203748	1	48	0.0	-56.89	393.12	6.41	-50.48
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203749	0	46	-1.0	-48.92	394.58	2.98	-45.94
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203749	1	46	-1.0	-48.85	394.63	2.95	-45.90
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN2C=CC=NC2=C1	REAL300020203750	0	31	-1.0	-51.91	304.40	0.82	-51.09
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN2C=CC=NC2=C1	REAL300020203750	1	31	-1.0	-51.98	304.34	0.84	-51.14
CC1=CC=CC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C(Cl)N=C12	REAL300020203751	0	37	-1.0	-47.40	352.26	3.70	-43.70
CC1=CC=CC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C(Cl)N=C12	REAL300020203751	1	37	-1.0	-47.42	352.21	3.73	-43.69
CS(=O)(=O)C1=NC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020203752	0	33	-1.0	-52.19	333.40	-3.25	-55.44
CS(=O)(=O)C1=NC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020203752	1	33	-1.0	-52.25	333.35	-3.22	-55.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCN(CC(F)F)C1	REAL300020203753	0	40	-1.0	-46.92	341.86	0.33	-46.59
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCN(CC(F)F)C1	REAL300020203753	1	40	-1.0	-46.88	341.92	0.30	-46.58
N#CC1=CC=C(N2CCC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C2)C(F)=C1	REAL300020203754	0	42	-1.0	-47.17	385.99	3.04	-44.13
N#CC1=CC=C(N2CCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C2)C(F)=C1	REAL300020203754	1	42	-1.0	-47.16	386.05	3.01	-44.15
NC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC(F)(F)F	REAL300020203755	0	35	-1.0	-46.53	338.00	-0.15	-46.68
NC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC(F)(F)F	REAL300020203755	1	35	-1.0	-46.48	338.05	-0.18	-46.66
CC1=CC=NC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C12	REAL300020203756	0	37	-1.0	-47.14	337.25	2.98	-44.16
CC1=CC=NC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C12	REAL300020203756	1	37	-1.0	-47.07	337.30	2.95	-44.12
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203757	0	38	-1.0	-47.42	343.22	3.02	-44.40
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203757	1	38	-1.0	-47.40	343.27	2.99	-44.41
O=C(C=CC1=CC=C(F)C(F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203758	0	33	-1.0	-46.38	325.45	3.37	-43.01
O=C(C=CC1=CC=C(F)C(F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203758	1	33	-1.0	-46.36	325.50	3.35	-43.01
CCC1=CC=CC=C1OCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203759	0	42	-1.0	-45.19	374.40	3.87	-41.32
CCC1=CC=CC=C1OCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203759	1	42	-1.0	-45.16	374.46	3.85	-41.31
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(O)C1=CC=CC(C(F)(F)F)=C1	REAL300020203760	0	36	-1.0	-45.85	349.14	1.82	-44.03
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(O)C1=CC=CC(C(F)(F)F)=C1	REAL300020203760	1	36	-1.0	-45.82	349.19	1.79	-44.03
COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1OC	REAL300020203761	0	40	-1.0	-45.91	353.24	2.08	-43.83
COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1OC	REAL300020203761	1	40	-1.0	-45.93	353.29	2.05	-43.88
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL300020203762	0	32	-1.0	-43.93	326.99	3.20	-40.73
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL300020203762	1	32	-1.0	-43.91	327.04	3.18	-40.73
COCCN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)C=C1C	REAL300020203763	0	42	-1.0	-59.51	368.88	2.28	-57.23
COCCN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)C=C1C	REAL300020203763	1	42	-1.0	-59.45	368.94	2.25	-57.20
CC1=NC=C2CCC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CN21	REAL300020203764	0	39	-1.0	-47.03	343.32	2.77	-44.26
CC1=NC=C2CCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CN21	REAL300020203764	1	39	-1.0	-47.02	343.38	2.75	-44.27
CC1=[NH+]C=C2CCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CN21	REAL300020203764	1	40	0.0	-58.85	346.09	3.19	-55.66
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(OC(F)(F)F)C=N1	REAL300020203765	0	32	-1.0	-44.18	321.49	0.06	-44.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(OC(F)(F)F)C=N1	REAL300020203765	1	32	-1.0	-44.26	321.43	0.08	-44.18
CC1=NN=C(COCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020203766	0	34	-1.0	-54.65	338.51	-0.09	-54.74
CC1=NN=C(COCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020203766	1	34	-1.0	-54.66	338.56	-0.11	-54.77
COC1=CC=CC(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CC2)=C1	REAL300020203767	0	40	-1.0	-46.32	358.73	3.07	-43.25
COC1=CC=CC(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CC2)=C1	REAL300020203767	1	40	-1.0	-46.33	358.78	3.04	-43.29
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CC(=O)C1=CN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1	REAL300020203922	0	33	-1.0	-52.20	323.75	-0.76	-52.96
CC(=O)C1=CN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1	REAL300020203922	1	33	-1.0	-52.18	323.81	-0.79	-52.97
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CC(C)(C)C(=O)NC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020203941	1	44	-1.0	-53.97	389.41	2.65	-51.32
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CCOC1=NOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020203944	0	32	-1.0	-43.57	311.79	-1.60	-45.17
CCOC1=NOC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020203944	1	32	-1.0	-43.63	311.73	-1.57	-45.20
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CC(C)(CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[N+](=O)[O-]	REAL300020203945	1	36	-1.0	-49.41	326.25	1.77	-47.64
CC1=CN=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203946	0	31	-1.0	-43.85	289.70	0.93	-42.92
CC1=CN=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203946	1	31	-1.0	-43.92	289.64	0.96	-42.96
CC(C)(C)C(=O)CCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203947	0	42	-1.0	-51.05	366.39	3.06	-47.99
CC(C)(C)C(=O)CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203947	1	42	-1.0	-51.00	366.45	3.03	-47.97
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CC(C)(C)OC(=O)N1CC(O)(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020203952	0	44	-1.0	-47.02	384.94	-1.74	-48.76
CC(C)(C)OC(=O)N1CC(O)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020203952	1	44	-1.0	-46.96	384.99	-1.77	-48.73
NC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1	REAL300020203953	0	31	-1.0	-47.38	302.70	-3.41	-50.79
NC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1	REAL300020203953	1	31	-1.0	-47.32	302.75	-3.44	-50.76
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)N2N=NN=C2N1C	REAL300020203954	0	40	-1.0	-45.42	357.29	2.60	-42.82
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)N2N=NN=C2N1C	REAL300020203954	1	40	-1.0	-45.43	357.24	2.62	-42.81
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2C=CNC2=CC=N1	REAL300020203955	1	32	-1.0	-50.68	304.67	0.36	-50.32
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CC1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)(C2=CC=CC(Cl)=C2)C1	REAL300020203957	0	42	-1.0	-43.02	382.96	5.49	-37.53
CC1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)(C2=CC=CC(Cl)=C2)C1	REAL300020203957	1	42	-1.0	-43.00	383.01	5.46	-37.54
CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)OC2=CC=CC=C21	REAL300020203958	0	38	-1.0	-46.39	348.70	3.90	-42.49
CCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)OC2=CC=CC=C21	REAL300020203958	1	38	-1.0	-46.34	348.75	3.87	-42.47
CC(OCCC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203959	0	42	-1.0	-46.61	378.59	4.60	-42.01
CC(OCCC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203959	1	42	-1.0	-46.60	378.64	4.57	-42.03
N#CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020203960	0	27	-1.0	-45.97	290.16	1.52	-44.45
N#CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020203960	1	27	-1.0	-45.89	290.21	1.49	-44.40
C=CCOC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020203961	0	40	-1.0	-47.17	367.10	3.55	-43.62
C=CCOC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020203961	1	40	-1.0	-47.12	367.15	3.53	-43.59
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=NC(OC(F)F)=C1	REAL300020203962	0	32	-1.0	-46.53	333.62	-0.11	-46.64
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=NC(OC(F)F)=C1	REAL300020203962	1	32	-1.0	-46.58	333.56	-0.08	-46.66
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=C1CCCC2	REAL300020203963	0	39	-1.0	-44.80	335.16	4.55	-40.25
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=C1CCCC2	REAL300020203963	1	39	-1.0	-44.77	335.21	4.52	-40.25
COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1S(C)(=O)=O	REAL300020203964	0	39	-1.0	-53.59	365.38	-0.58	-54.17
COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1S(C)(=O)=O	REAL300020203964	1	39	-1.0	-53.54	365.44	-0.60	-54.14
COC(CC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203965	0	39	-1.0	-45.75	348.17	3.31	-42.44
COC(CC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203965	1	39	-1.0	-45.74	348.23	3.28	-42.46
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2OC(F)(F)OC2=C1	REAL300020203966	0	32	-1.0	-44.47	317.80	1.16	-43.31
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2OC(F)(F)OC2=C1	REAL300020203966	1	32	-1.0	-44.41	317.85	1.13	-43.28
CCCOC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(OC)=C1	REAL300020203967	0	43	-1.0	-47.36	378.26	3.66	-43.70
CCCOC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(OC)=C1	REAL300020203967	1	43	-1.0	-47.31	378.31	3.63	-43.68
CCOC(=O)C1=C(C)NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020203968	0	39	-1.0	-46.65	361.73	1.95	-44.70
CCOC(=O)C1=C(C)NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020203968	1	39	-1.0	-46.62	361.78	1.93	-44.69
CC(=O)NC[C@H](CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)CC(C)C	REAL300020203969	0	47	-1.0	-48.13	391.66	2.31	-45.82
CC(=O)NC[C@H](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)CC(C)C	REAL300020203969	1	47	-1.0	-48.11	391.72	2.29	-45.82
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC1C1=CC=C(Cl)C=C1F	REAL300020203970	1	39	-1.0	-47.46	368.34	5.01	-42.45
CCOCC1=NC(C)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020203971	0	38	-1.0	-45.43	359.84	0.55	-44.88
CCOCC1=NC(C)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020203971	1	38	-1.0	-45.37	359.90	0.52	-44.85
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=COC2=C1C(=O)CCC2	REAL300020203972	0	35	-1.0	-55.94	323.54	3.22	-52.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=COC2=C1C(=O)CCC2	REAL300020203972	1	35	-1.0	-55.94	323.59	3.20	-52.74
O=C(CC1=NC(C2=CC=CC=C2)=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203973	0	38	-1.0	-50.87	365.99	3.45	-47.42
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CC1=NN=NN1C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(F)=C1	REAL300020203980	1	37	-1.0	-50.38	350.06	2.14	-48.24
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CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203982	0	50	-1.0	-43.05	408.39	2.21	-40.84
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203982	1	50	-1.0	-43.03	408.44	2.18	-40.85
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CC(C)CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C(F)F)=N1	REAL300020203985	0	41	-1.0	-47.79	369.41	3.10	-44.69
CC(C)CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)F)=N1	REAL300020203985	1	41	-1.0	-47.80	369.46	3.07	-44.73
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COC(=O)C1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020203987	1	38	-1.0	-49.44	357.70	3.38	-46.06
COC1=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1O	REAL300020203988	0	37	-1.0	-49.35	343.10	-0.13	-49.48
COC1=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1O	REAL300020203988	1	37	-1.0	-49.29	343.15	-0.16	-49.45
CC(OCC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203989	0	39	-1.0	-47.63	363.51	3.90	-43.73
CC(OCC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203989	1	39	-1.0	-47.62	363.56	3.87	-43.75
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CC1CCCC1(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203991	0	38	-1.0	-43.74	317.43	3.24	-40.50
CC1CCCC1(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203991	1	38	-1.0	-43.65	317.49	3.22	-40.43
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C[Si](C)(C)CCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203996	0	40	-1.0	-45.13	357.78	5.15	-39.98
C[Si](C)(C)CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203996	1	40	-1.0	-45.12	357.84	5.12	-40.00
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CN1C=C(C=C(C#N)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020204000	0	34	-1.0	-47.98	329.36	1.20	-46.78
CN1C=C(C=C(C#N)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020204000	1	34	-1.0	-47.97	329.41	1.17	-46.80
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CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204004	0	36	-1.0	-47.57	333.91	3.29	-44.28
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204004	1	36	-1.0	-47.52	333.96	3.26	-44.26
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(CC(O)CO)N=C1	REAL300020204005	0	37	-1.0	-53.85	347.06	-4.80	-58.65
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(CC(O)CO)N=C1	REAL300020204005	1	37	-1.0	-53.91	347.01	-4.78	-58.69
CC1=NN=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020204006	0	27	-1.0	-46.74	283.35	-1.19	-47.93
CC1=NN=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020204006	1	27	-1.0	-46.75	283.41	-1.22	-47.97
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300020204007	0	29	-1.0	-43.36	330.20	3.27	-40.09
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300020204007	1	29	-1.0	-43.31	330.25	3.24	-40.07
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204008	0	40	-1.0	-58.05	363.34	1.74	-56.31
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204008	1	40	-1.0	-58.00	363.39	1.71	-56.29
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@H]1CCCN1C(=O)C1=CC=CC=C1	REAL300020204009	0	43	-1.0	-58.27	375.22	4.25	-54.02
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@H]1CCCN1C(=O)C1=CC=CC=C1	REAL300020204009	1	43	-1.0	-58.27	375.28	4.22	-54.05
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300020204010	0	34	-1.0	-49.36	341.56	4.75	-44.61
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300020204010	1	34	-1.0	-49.34	341.62	4.71	-44.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(CCN2C=CC=N2)C=C1	REAL300020204011	0	39	-1.0	-50.73	367.60	1.66	-49.07
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(CCN2C=CC=N2)C=C1	REAL300020204011	1	39	-1.0	-50.77	367.54	1.67	-49.10
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC1C1=CC=CC=C1	REAL300020204012	0	42	-1.0	-44.20	362.52	5.20	-39.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC1C1=CC=CC=C1	REAL300020204012	1	42	-1.0	-44.17	362.58	5.17	-39.00
CC(F)(F)C(C)(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204013	0	34	-1.0	-48.35	304.29	1.59	-46.76
CC(F)(F)C(C)(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204013	1	34	-1.0	-48.28	304.34	1.57	-46.71
CCN1C(=O)C[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)[C@H]1C1=CC=CN=C1	REAL300020204014	0	45	-1.0	-48.44	397.81	2.75	-45.69
CCN1C(=O)C[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)[C@H]1C1=CC=CN=C1	REAL300020204014	1	45	-1.0	-48.43	397.75	2.78	-45.65
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204015	0	42	-1.0	-43.92	360.62	0.14	-43.78
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204015	1	42	-1.0	-43.89	360.67	0.11	-43.78
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL300020204016	0	45	-1.0	-44.73	367.29	5.35	-39.38
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL300020204016	1	45	-1.0	-44.65	367.34	5.32	-39.33
CC(=O)N[C@H](C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)(C)C	REAL300020204017	0	41	-1.0	-44.32	349.42	0.58	-43.74
CC(=O)N[C@H](C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)(C)C	REAL300020204017	1	41	-1.0	-44.29	349.47	0.55	-43.74
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C(F)(F)F)CCC1	REAL300020204018	0	32	-1.0	-41.78	301.98	2.05	-39.73
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C(F)(F)F)CCC1	REAL300020204018	1	32	-1.0	-41.76	302.03	2.02	-39.74
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204019	0	51	-1.0	-48.12	424.52	4.36	-43.76
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204019	1	51	-1.0	-48.07	424.58	4.33	-43.74
CC1=NSC(NC2CC2)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204020	0	37	-1.0	-45.62	354.80	0.77	-44.85
CC1=NSC(NC2CC2)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204020	1	37	-1.0	-45.53	354.86	0.74	-44.79
CCN1N=C(C)C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C	REAL300020204021	0	41	-1.0	-50.32	366.54	2.39	-47.93
CCN1N=C(C)C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C	REAL300020204021	1	41	-1.0	-50.26	366.59	2.37	-47.89
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=CC=CC(F)=C2N=C1	REAL300020204022	0	34	-1.0	-49.22	325.81	2.50	-46.72
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=CC=CC(F)=C2N=C1	REAL300020204022	1	34	-1.0	-49.35	325.75	2.53	-46.82
CC1=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C	REAL300020204023	0	35	-1.0	-48.52	323.11	0.94	-47.58
CC1=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C	REAL300020204023	1	35	-1.0	-48.50	323.16	0.92	-47.58
CC1=NN(C(C)C)C(C)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204024	0	44	-1.0	-50.24	386.29	3.06	-47.18
CC1=NN(C(C)C)C(C)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204024	1	44	-1.0	-50.19	386.34	3.03	-47.16
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2OCCCN2N=C1	REAL300020204025	0	34	-1.0	-50.82	314.94	-0.80	-51.62
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2OCCCN2N=C1	REAL300020204025	1	34	-1.0	-50.83	314.89	-0.77	-51.60
COC1=CC(C(F)(F)F)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204026	0	36	-1.0	-45.92	344.20	3.63	-42.29
COC1=CC(C(F)(F)F)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204026	1	36	-1.0	-45.90	344.26	3.60	-42.30
CCC1=C(Br)C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020204027	0	32	-1.0	-43.07	332.98	3.19	-39.88
CCC1=C(Br)C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020204027	1	32	-1.0	-43.01	333.03	3.16	-39.85
CC1=CC(C#N)=CN=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204028	0	32	-1.0	-45.29	312.35	1.39	-43.90
CC1=CC(C#N)=CN=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204028	1	32	-1.0	-45.33	312.30	1.42	-43.91
CC1=CC(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1F	REAL300020204029	0	36	-1.0	-45.03	339.44	3.95	-41.08
CC1=CC(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1F	REAL300020204029	1	36	-1.0	-44.95	339.49	3.92	-41.03
CC1=NN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020204030	0	32	-1.0	-50.49	304.96	0.75	-49.74
CC1=NN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020204030	1	32	-1.0	-50.48	305.02	0.72	-49.76
COC1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020204031	0	39	-1.0	-45.60	336.45	1.32	-44.28
COC1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020204031	1	39	-1.0	-45.54	336.51	1.29	-44.25
O=C(CC1=CSC=C1Br)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204032	0	29	-1.0	-45.75	312.21	2.23	-43.52
O=C(CC1=CSC=C1Br)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204032	1	29	-1.0	-45.73	312.26	2.20	-43.53
CNC(=O)NCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204033	0	34	-1.0	-53.56	318.48	-3.28	-56.84
CNC(=O)NCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204033	1	34	-1.0	-53.56	318.54	-3.30	-56.86
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(NC2=CC=CC=C2)SC=N1	REAL300020204034	0	37	-1.0	-47.02	352.98	1.89	-45.13
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(NC2=CC=CC=C2)SC=N1	REAL300020204034	1	37	-1.0	-47.09	352.94	1.92	-45.17
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL300020204035	0	41	-1.0	-48.56	382.31	2.99	-45.57
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL300020204035	1	41	-1.0	-48.54	382.25	3.02	-45.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC(OCC2CCCO2)CC1	REAL300020204036	0	50	-1.0	-45.70	415.27	2.65	-43.05
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC(OCC2CCCO2)CC1	REAL300020204036	1	50	-1.0	-45.70	415.32	2.63	-43.07
CCN1N=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020204037	0	31	-1.0	-45.44	300.65	-0.99	-46.43
CCN1N=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204037	1	31	-1.0	-45.47	300.60	-0.97	-46.44
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1Br	REAL300020204038	0	29	-1.0	-44.52	287.74	1.81	-42.71
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1Br	REAL300020204038	1	29	-1.0	-44.51	287.79	1.78	-42.73
CCOC1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204039	0	33	-1.0	-44.48	315.45	-2.72	-47.20
CCOC1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204039	1	33	-1.0	-44.46	315.50	-2.75	-47.21
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2C(=C1)NC(=O)CNC2=O	REAL300020204040	0	38	-1.0	-50.34	352.66	-1.93	-52.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2C(=C1)NC(=O)CNC2=O	REAL300020204040	1	38	-1.0	-50.31	352.71	-1.96	-52.27
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=CC=CC=C21	REAL300020204041	0	44	-1.0	-47.51	370.04	5.58	-41.93
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=CC=CC=C21	REAL300020204041	1	44	-1.0	-47.45	370.10	5.55	-41.90
CN(C)C1=CC(C#N)=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204042	0	38	-1.0	-46.74	351.49	2.86	-43.88
CN(C)C1=CC(C#N)=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204042	1	38	-1.0	-46.70	351.54	2.83	-43.87
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=NN1C1=NN(C)C=C1	REAL300020204043	0	38	-1.0	-51.24	356.69	1.15	-50.09
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=NN1C1=NN(C)C=C1	REAL300020204043	1	38	-1.0	-51.30	356.64	1.18	-50.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC2=CN=CN2C1	REAL300020204044	0	36	-1.0	-47.36	322.72	2.92	-44.44
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC2=CN=CN2C1	REAL300020204044	1	36	-1.0	-47.34	322.78	2.89	-44.45
C[NH+](C)CCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020204045	0	44	0.0	-72.70	379.05	4.82	-67.88
C[NH+](C)CCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020204045	1	44	0.0	-72.59	379.10	4.79	-67.80
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2=CC=CC=C2C1	REAL300020204046	0	36	-1.0	-44.76	325.16	3.80	-40.96
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2=CC=CC=C2C1	REAL300020204046	1	36	-1.0	-44.72	325.21	3.77	-40.95
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2CC2)=NO1	REAL300020204047	0	35	-1.0	-44.24	333.07	2.48	-41.76
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2CC2)=NO1	REAL300020204047	1	35	-1.0	-44.22	333.12	2.45	-41.77
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300020204048	0	34	-1.0	-47.64	336.57	3.77	-43.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300020204048	1	34	-1.0	-47.56	336.62	3.74	-43.82
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)N1CCN(C2=CC=CC=C2)CC1	REAL300020204049	0	45	-1.0	-44.52	384.82	1.28	-43.24
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)N1CCN(C2=CC=CC=C2)CC1	REAL300020204049	1	45	-1.0	-44.47	384.87	1.25	-43.22
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC=CN2C=CN=C12	REAL300020204050	0	31	-1.0	-54.52	302.09	1.03	-53.49
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC=CN2C=CN=C12	REAL300020204050	1	31	-1.0	-54.56	302.04	1.06	-53.50
CC(C)(C)N1C=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020204051	0	37	-1.0	-50.94	338.62	2.30	-48.64
CC(C)(C)N1C=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204051	1	37	-1.0	-50.99	338.57	2.33	-48.66
CCCC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NO1	REAL300020204052	0	34	-1.0	-45.38	321.84	1.71	-43.67
CCCC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NO1	REAL300020204052	1	34	-1.0	-45.34	321.89	1.68	-43.66
COC1=CC=CC(C(=O)CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204053	0	44	-1.0	-55.98	395.43	3.46	-52.52
COC1=CC=CC(C(=O)CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204053	1	44	-1.0	-55.99	395.48	3.43	-52.56
NC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1C1=CC=CC=N1	REAL300020204054	0	37	-1.0	-49.12	344.93	1.92	-47.20
NC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NN1C1=CC=CC=N1	REAL300020204054	1	37	-1.0	-49.15	344.88	1.95	-47.20
COC(=O)CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CS1	REAL300020204055	0	35	-1.0	-48.84	341.94	2.54	-46.30
COC(=O)CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CS1	REAL300020204055	1	35	-1.0	-48.81	342.00	2.51	-46.30
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC(C(F)(F)F)=N1	REAL300020204056	0	31	-1.0	-41.92	323.69	0.98	-40.94
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC(C(F)(F)F)=N1	REAL300020204056	1	31	-1.0	-41.89	323.74	0.95	-40.94
NC1=NC(Cl)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204057	0	30	-1.0	-43.47	300.50	-0.21	-43.68
NC1=NC(Cl)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204057	1	30	-1.0	-43.51	300.45	-0.18	-43.69
O=C(CC1=CNC2=CC=CC(Cl)=C12)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204058	0	36	-1.0	-51.52	347.41	3.16	-48.36
O=C(CC1=CNC2=CC=CC(Cl)=C12)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204058	1	36	-1.0	-51.47	347.46	3.13	-48.34
CCC1=CC=C(C#CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020204059	0	37	-1.0	-45.21	352.87	4.85	-40.36
CCC1=CC=C(C#CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020204059	1	37	-1.0	-45.14	352.92	4.82	-40.32
N#CC1=CSC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204060	0	27	-1.0	-51.49	287.62	1.27	-50.22
N#CC1=CSC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204060	1	27	-1.0	-51.44	287.67	1.25	-50.19
CC(C)(C)C1=NNC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204061	0	38	-1.0	-45.40	329.27	0.87	-44.53
CC(C)(C)C1=NNC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204061	1	38	-1.0	-45.35	329.32	0.84	-44.51
N#CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CN=C1C(F)(F)F	REAL300020204062	0	32	-1.0	-45.08	331.35	1.56	-43.52
N#CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CN=C1C(F)(F)F	REAL300020204062	1	32	-1.0	-45.08	331.30	1.59	-43.49
CC(C)C(=O)NC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=N1	REAL300020204063	0	41	-1.0	-50.54	370.66	2.10	-48.44
CC(C)C(=O)NC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=N1	REAL300020204063	1	41	-1.0	-50.56	370.61	2.13	-48.43
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(OC(F)F)C(F)=C1	REAL300020204064	0	33	-1.0	-46.30	323.58	1.72	-44.58
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(OC(F)F)C(F)=C1	REAL300020204064	1	33	-1.0	-46.23	323.63	1.71	-44.52
CC1=NC(C(C)C)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204065	0	40	-1.0	-44.53	349.64	2.77	-41.76
CC1=NC(C(C)C)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204065	1	40	-1.0	-44.50	349.70	2.74	-41.76
CCC1=NC(C(C)C)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204066	0	43	-1.0	-44.27	368.24	3.47	-40.80
CCC1=NC(C(C)C)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204066	1	43	-1.0	-44.20	368.29	3.44	-40.76
CC1CCCN(C2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=N2)C1	REAL300020204067	0	46	-1.0	-44.95	390.10	3.31	-41.64
CC1CCCN(C2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=N2)C1	REAL300020204067	1	46	-1.0	-44.96	390.05	3.34	-41.62
CN1C=C(Br)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020204068	0	29	-1.0	-48.49	303.11	0.45	-48.04
CN1C=C(Br)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204068	1	29	-1.0	-48.54	303.06	0.48	-48.06
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC([N+](=O)[O-])=C1Cl	REAL300020204069	0	31	-1.0	-49.40	314.65	3.11	-46.29
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC([N+](=O)[O-])=C1Cl	REAL300020204069	1	31	-1.0	-49.36	314.70	3.08	-46.28
O=C(CCC1=NOC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204070	0	31	-1.0	-47.95	299.20	0.84	-47.11
O=C(CCC1=NOC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204070	1	31	-1.0	-47.89	299.25	0.81	-47.08
CN(CC=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)CC(F)(F)F	REAL300020204071	0	37	-1.0	-45.96	347.66	0.56	-45.40
CN(CC=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)CC(F)(F)F	REAL300020204071	1	37	-1.0	-45.96	347.71	0.53	-45.43
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2OCOC2=C1	REAL300020204072	0	38	-1.0	-47.60	344.80	1.95	-45.65
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2OCOC2=C1	REAL300020204072	1	38	-1.0	-47.57	344.85	1.92	-45.65
CC1(C)C(=O)NC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C21	REAL300020204073	0	40	-1.0	-47.19	361.43	1.57	-45.62
CC1(C)C(=O)NC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C21	REAL300020204073	1	40	-1.0	-47.14	361.48	1.55	-45.59
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)(F)F	REAL300020204074	0	31	-1.0	-48.20	289.93	1.19	-47.01
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)(F)F	REAL300020204074	1	31	-1.0	-48.16	289.98	1.18	-46.98
NS(=O)(=O)C1=NNC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204075	0	31	-1.0	-53.43	309.30	-5.44	-58.87
NS(=O)(=O)C1=NNC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204075	1	31	-1.0	-53.41	309.36	-5.47	-58.88
CC(C)(C)CCC1(O)CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020204076	0	48	-1.0	-46.14	394.19	1.60	-44.54
CC(C)(C)CCC1(O)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020204076	1	48	-1.0	-46.11	394.24	1.57	-44.54
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(C2=CC=CC=C2)N=CO1	REAL300020204077	0	35	-1.0	-47.60	332.35	0.27	-47.33
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(C2=CC=CC=C2)N=CO1	REAL300020204077	1	35	-1.0	-47.59	332.30	0.30	-47.29
CS(=O)(=O)CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020204078	0	41	-1.0	-55.20	378.67	0.84	-54.36
CS(=O)(=O)CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020204078	1	41	-1.0	-55.14	378.71	0.83	-54.31
CC1(C)OC(=O)C2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=CC=C21	REAL300020204079	0	39	-1.0	-57.48	352.92	4.66	-52.82
CC1(C)OC(=O)C2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=CC=C21	REAL300020204079	1	39	-1.0	-57.45	352.97	4.63	-52.82
CC(C)(O)C(OC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204080	0	43	-1.0	-46.18	368.04	1.92	-44.26
CC(C)(O)C(OC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204080	1	43	-1.0	-46.17	368.10	1.90	-44.27
CC(O)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC1	REAL300020204081	0	36	-1.0	-42.45	315.88	-0.51	-42.96
CC(O)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC1	REAL300020204081	1	36	-1.0	-42.47	315.93	-0.54	-43.01
CCN1N=NC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204082	0	31	-1.0	-45.02	295.15	-0.73	-45.75
CCN1N=NC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204082	1	31	-1.0	-45.06	295.10	-0.70	-45.76
CCOC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020204083	0	37	-1.0	-45.19	352.29	1.89	-43.30
CCOC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020204083	1	37	-1.0	-45.23	352.24	1.92	-43.31
CC1=CC(Cl)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020204084	0	34	-1.0	-46.25	337.55	3.88	-42.37
CC1=CC(Cl)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020204084	1	34	-1.0	-46.19	337.60	3.85	-42.34
CC1=NC(C)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1	REAL300020204085	0	32	-1.0	-45.88	300.13	0.05	-45.83
CC1=NC(C)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1	REAL300020204085	1	32	-1.0	-45.83	300.18	0.03	-45.80
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CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)[C@H]2C1	REAL300020204087	0	47	-1.0	-48.83	404.44	2.88	-45.95
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)[C@H]2C1	REAL300020204087	1	47	-1.0	-48.87	404.49	2.86	-46.01
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1OCCC2=C1C=CS2	REAL300020204088	0	40	-1.0	-46.33	360.09	3.69	-42.64
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1OCCC2=C1C=CS2	REAL300020204088	1	40	-1.0	-46.30	360.15	3.66	-42.64
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204089	0	47	-1.0	-48.16	396.20	3.63	-44.53
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CC(O)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)C=C1	REAL300020204092	0	36	-1.0	-43.42	342.50	0.79	-42.63
CC(O)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C=C1	REAL300020204092	1	36	-1.0	-43.44	342.56	0.77	-42.67
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=C(F)C=C1Cl	REAL300020204093	0	29	-1.0	-42.54	313.29	3.14	-39.40
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=C(F)C=C1Cl	REAL300020204093	1	29	-1.0	-42.50	313.34	3.11	-39.39
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)C=NC=C1Cl	REAL300020204094	0	28	-1.0	-43.96	308.72	0.99	-42.97
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CCN1N=C(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020204097	1	34	-1.0	-45.49	319.24	-0.40	-45.89
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COC1=CC=CC(N2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N=N2)=C1	REAL300020204099	0	39	-1.0	-51.12	365.10	1.02	-50.10
COC1=CC=CC(N2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N=N2)=C1	REAL300020204099	1	39	-1.0	-51.19	365.05	1.05	-50.14
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NS(=O)(=O)N1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020204104	0	39	-1.0	-48.58	351.63	-3.92	-52.50
NS(=O)(=O)N1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020204104	1	39	-1.0	-48.53	351.68	-3.95	-52.48
CN1C=NN(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1=O	REAL300020204105	0	35	-1.0	-52.77	332.46	1.71	-51.06
CN1C=NN(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1=O	REAL300020204105	1	35	-1.0	-52.73	332.51	1.69	-51.04
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204106	0	36	-1.0	-48.32	343.92	-4.15	-52.47
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204106	1	36	-1.0	-48.32	343.97	-4.18	-52.50
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NS(=O)(=O)C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204109	0	31	-1.0	-57.42	302.98	-4.36	-61.78
NS(=O)(=O)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204109	1	31	-1.0	-57.38	303.04	-4.39	-61.77
CC1=NC=CC(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204110	0	36	-1.0	-47.21	335.25	1.54	-45.67
CC1=NC=CC(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020204110	1	36	-1.0	-47.18	335.30	1.51	-45.67
O=C(CCN1C=NC=CC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204111	0	34	-1.0	-54.68	323.08	1.51	-53.17
O=C(CCN1C=NC=CC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204111	1	34	-1.0	-54.78	323.03	1.54	-53.24
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1NC(=O)C1CC1	REAL300020204112	0	40	-1.0	-46.04	360.93	3.00	-43.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1NC(=O)C1CC1	REAL300020204112	1	40	-1.0	-46.03	360.99	2.98	-43.05
CC(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020204113	0	31	-1.0	-50.39	313.25	1.61	-48.78
CC(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020204113	1	31	-1.0	-50.37	313.30	1.58	-48.79
O=C(CC1CCCS(=O)(=O)C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204114	0	38	-1.0	-54.21	341.49	-0.96	-55.17
O=C(CC1CCCS(=O)(=O)C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204114	1	38	-1.0	-54.20	341.54	-0.99	-55.19
COC1=CN=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020204115	0	31	-1.0	-48.03	300.82	-1.20	-49.23
COC1=CN=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020204115	1	31	-1.0	-48.08	300.77	-1.18	-49.26
COCCOCCC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1	REAL300020204116	0	43	-1.0	-47.17	392.72	-0.63	-47.80
COCCOCCC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1	REAL300020204116	1	43	-1.0	-47.12	392.77	-0.66	-47.78
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204117	0	42	-1.0	-45.06	378.57	4.88	-40.18
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204117	1	42	-1.0	-45.00	378.62	4.85	-40.15
CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N2C=C(Cl)C=CC2=N1	REAL300020204118	0	38	-1.0	-46.78	368.26	4.14	-42.64
CCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N2C=C(Cl)C=CC2=N1	REAL300020204118	1	38	-1.0	-46.80	368.32	4.11	-42.69
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2CCC1CC2	REAL300020204119	0	39	-1.0	-43.10	320.98	3.18	-39.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2CCC1CC2	REAL300020204119	1	39	-1.0	-43.03	321.04	3.15	-39.88
COCN1C=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020204120	0	33	-1.0	-46.68	316.19	-1.52	-48.20
COCN1C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204120	1	33	-1.0	-46.66	316.14	-1.50	-48.16
CC(OCC1=CC=NC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204121	0	38	-1.0	-48.93	351.98	2.06	-46.87
CC(OCC1=CC=NC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204121	1	38	-1.0	-48.90	352.03	2.03	-46.87
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020204122	0	40	-1.0	-49.31	348.64	4.96	-44.35
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020204122	1	40	-1.0	-49.32	348.70	4.93	-44.39
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CN1C(C)C	REAL300020204123	0	39	-1.0	-46.63	344.34	3.55	-43.08
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CN1C(C)C	REAL300020204123	1	39	-1.0	-46.60	344.39	3.52	-43.08
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL300020204124	0	34	-1.0	-47.32	331.39	2.53	-44.79
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL300020204124	1	34	-1.0	-47.36	331.34	2.56	-44.80
CC1=CSC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204125	0	29	-1.0	-43.99	291.99	1.73	-42.26
CC1=CSC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204125	1	29	-1.0	-43.96	292.04	1.70	-42.26
O=C(CC1=CNC2=CN=CC=C12)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204126	0	35	-1.0	-51.47	329.47	1.04	-50.43
O=C(CC1=CNC2=CN=CC=C12)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204126	1	35	-1.0	-51.46	329.52	1.02	-50.44
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300020204127	0	43	-1.0	-47.78	378.88	4.10	-43.68
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300020204127	1	43	-1.0	-47.72	378.93	4.07	-43.65
NC(=O)C1=CC=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020204128	0	39	-1.0	-49.74	358.78	0.34	-49.40
NC(=O)C1=CC=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020204128	1	39	-1.0	-49.71	358.83	0.31	-49.40
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N(C(=O)OC(C)(C)C)C1CC1	REAL300020204129	0	49	-1.0	-48.59	400.99	3.10	-45.49
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N(C(=O)OC(C)(C)C)C1CC1	REAL300020204129	1	49	-1.0	-48.58	401.04	3.08	-45.50
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COCC(C)C(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204135	0	38	-1.0	-45.03	329.12	0.72	-44.31
COCC(C)C(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204135	1	38	-1.0	-44.97	329.17	0.69	-44.28
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COC1CCCCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204141	0	39	-1.0	-45.39	335.05	2.34	-43.05
COC1CCCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204141	1	39	-1.0	-45.32	335.10	2.31	-43.01
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CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204154	0	42	-1.0	-47.75	373.76	3.05	-44.70
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204154	1	42	-1.0	-47.69	373.81	3.02	-44.67
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COC(=O)C12CCC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)(CC1)CC2	REAL300020204156	0	45	-1.0	-45.73	377.28	3.65	-42.08
COC(=O)C12CCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)(CC1)CC2	REAL300020204156	1	45	-1.0	-45.71	377.33	3.62	-42.09
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COC1=CC=CC(OCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204159	1	40	-1.0	-46.54	362.25	1.64	-44.90
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CC1=NC(C2CC2)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204160	1	38	-1.0	-44.27	339.30	2.95	-41.32
COC1=CC=CC=C1C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCCC1	REAL300020204161	0	49	-1.0	-46.61	395.75	5.20	-41.41
COC1=CC=CC=C1C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCCC1	REAL300020204161	1	49	-1.0	-46.59	395.80	5.17	-41.42
CN(C)C1=CC=C(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CC2)C=C1	REAL300020204162	0	44	-1.0	-45.28	381.70	4.19	-41.09
CN(C)C1=CC=C(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CC2)C=C1	REAL300020204162	1	44	-1.0	-45.23	381.76	4.16	-41.07
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(NC2=CC=CN=C2)SC=N1	REAL300020204163	0	36	-1.0	-47.93	347.75	0.16	-47.77
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(NC2=CC=CN=C2)SC=N1	REAL300020204163	1	36	-1.0	-47.90	347.80	0.13	-47.77
CC(C)(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC1	REAL300020204164	0	38	-1.0	-42.86	319.72	2.90	-39.96
CC(C)(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC1	REAL300020204164	1	38	-1.0	-42.78	319.77	2.87	-39.91
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204165	0	40	-1.0	-51.13	359.38	1.98	-49.15
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204165	1	40	-1.0	-51.11	359.43	1.95	-49.16
CN1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C1N2	REAL300020204166	0	45	-1.0	-47.60	384.00	1.54	-46.06
CN1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C1N2	REAL300020204166	1	45	-1.0	-47.54	384.05	1.51	-46.03
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C1N2	REAL300020204166	1	46	0.0	-73.82	391.57	4.37	-69.45
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C1N2	REAL300020204166	1	46	0.0	-74.05	391.56	4.37	-69.68
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC2=NNN=C21	REAL300020204167	0	35	-1.0	-45.42	315.15	-0.41	-45.83
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC2=NNN=C21	REAL300020204167	1	35	-1.0	-45.38	315.20	-0.44	-45.82
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC2=C1NN=N2	REAL300020204167	1	35	-1.0	-45.84	312.56	-0.20	-46.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC2=C1NN=N2	REAL300020204167	1	35	-1.0	-45.80	312.61	-0.23	-46.03
CC(C)(C)OC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020204168	0	41	-1.0	-45.05	355.89	1.29	-43.76
CC(C)(C)OC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020204168	1	41	-1.0	-45.06	355.84	1.32	-43.74
CCC1=NC(C)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020204169	0	34	-1.0	-44.60	318.67	-1.11	-45.71
CCC1=NC(C)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020204169	1	34	-1.0	-44.53	318.72	-1.14	-45.67
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC(C(F)(F)F)=C1	REAL300020204170	0	30	-1.0	-46.62	306.37	0.92	-45.70
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC(C(F)(F)F)=C1	REAL300020204170	1	30	-1.0	-46.66	306.42	0.89	-45.77
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(Br)CC1	REAL300020204171	0	26	-1.0	-42.21	273.09	1.19	-41.02
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(Br)CC1	REAL300020204171	1	26	-1.0	-42.20	273.15	1.16	-41.04
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC(CO)=C1	REAL300020204172	0	29	-1.0	-48.61	290.26	-3.19	-51.80
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC(CO)=C1	REAL300020204172	1	29	-1.0	-48.57	290.32	-3.22	-51.79
CN(C(=O)OC(C)(C)C)C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC1	REAL300020204173	0	49	-1.0	-45.66	406.33	3.28	-42.38
CN(C(=O)OC(C)(C)C)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1	REAL300020204173	1	49	-1.0	-45.63	406.38	3.25	-42.38
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1F	REAL300020204174	0	34	-1.0	-46.87	341.06	3.26	-43.61
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1F	REAL300020204174	1	34	-1.0	-46.85	341.12	3.23	-43.62
O=C(CC1=CC=NC(F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204175	0	31	-1.0	-49.40	304.15	0.92	-48.48
O=C(CC1=CC=NC(F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204175	1	31	-1.0	-49.37	304.20	0.89	-48.48
CC1=CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N=C2C=C1	REAL300020204176	0	37	-1.0	-47.48	343.08	3.13	-44.35
CC1=CC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N=C2C=C1	REAL300020204176	1	37	-1.0	-47.51	343.03	3.15	-44.36
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1C	REAL300020204177	0	36	-1.0	-45.62	335.34	2.05	-43.57
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1C	REAL300020204177	1	36	-1.0	-45.53	335.39	2.02	-43.51
CCS(=O)(=O)NC(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204178	0	36	-1.0	-54.60	336.29	-3.31	-57.91
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CN(C)C1=NC(N)=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204212	1	36	-1.0	-47.89	337.89	2.80	-45.09
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CS(=O)(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(Cl)C=N1	REAL300020204216	1	34	-1.0	-53.69	347.87	-1.81	-55.50
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COCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCOCC1	REAL300020204218	0	40	-1.0	-44.61	337.44	0.01	-44.60
COCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCOCC1	REAL300020204218	1	40	-1.0	-44.54	337.49	-0.02	-44.56
CSCC1=CC=CN=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204219	0	35	-1.0	-46.76	334.49	2.18	-44.58
CSCC1=CC=CN=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204219	1	35	-1.0	-46.79	334.44	2.21	-44.58
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCCCC(=O)C1	REAL300020204220	1	40	-1.0	-47.61	331.66	2.39	-45.22
CC(C)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020204221	0	37	-1.0	-45.45	335.87	2.20	-43.25
CC(C)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020204221	1	37	-1.0	-45.52	335.82	2.22	-43.30
CN(C)S(=O)(=O)NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204222	0	35	-1.0	-51.60	334.04	-4.41	-56.01
CN(C)S(=O)(=O)NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204222	1	35	-1.0	-51.53	334.09	-4.44	-55.97
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CCOC(=O)C(C)(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204229	1	40	-1.0	-43.97	351.60	2.56	-41.41
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC(C(F)(F)F)=C1	REAL300020204231	1	31	-1.0	-45.19	313.12	1.33	-43.86
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)(C)O	REAL300020204232	0	49	-1.0	-45.03	408.21	-1.86	-46.89
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)(C)O	REAL300020204232	1	49	-1.0	-45.00	408.26	-1.89	-46.89
NC(=O)C1CCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204233	0	33	-1.0	-47.82	306.69	-2.31	-50.13
NC(=O)C1CCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204233	1	33	-1.0	-47.79	306.74	-2.34	-50.13
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=C1NC(=O)N2	REAL300020204234	0	33	-1.0	-49.97	311.71	-0.93	-50.90
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=C1NC(=O)N2	REAL300020204234	1	33	-1.0	-49.98	311.76	-0.95	-50.93
CS(=O)(=O)C1=CN=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020204235	0	33	-1.0	-54.84	332.12	-4.18	-59.02
CS(=O)(=O)C1=CN=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204235	1	33	-1.0	-54.89	332.07	-4.15	-59.04
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(CO)=NO1	REAL300020204236	0	32	-1.0	-47.99	312.96	-2.47	-50.46
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(CO)=NO1	REAL300020204236	1	32	-1.0	-47.97	313.01	-2.50	-50.47
CC1=CSC(NC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)=N1	REAL300020204237	0	40	-1.0	-46.23	375.13	3.05	-43.18
CC1=CSC(NC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)=N1	REAL300020204237	1	40	-1.0	-46.23	375.08	3.07	-43.16
NC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NC(N2CCOCC2)=N1	REAL300020204238	0	41	-1.0	-47.31	369.95	0.64	-46.67
NC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NC(N2CCOCC2)=N1	REAL300020204238	1	41	-1.0	-47.34	369.89	0.66	-46.68
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C(OCC(F)F)C=N1	REAL300020204239	0	34	-1.0	-46.95	337.33	-1.81	-48.76
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C(OCC(F)F)C=N1	REAL300020204239	1	34	-1.0	-46.94	337.28	-1.78	-48.72
CC(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=CS1	REAL300020204240	0	34	-1.0	-46.17	323.34	1.18	-44.99
CC(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=CS1	REAL300020204240	1	34	-1.0	-46.19	323.29	1.21	-44.98
CC1=CC=CC=C1C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020204241	0	45	-1.0	-44.86	369.51	5.17	-39.69
CC1=CC=CC=C1C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020204241	1	45	-1.0	-44.79	369.56	5.14	-39.65
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2CCOCC2)N=N1	REAL300020204242	0	39	-1.0	-47.59	352.09	-0.81	-48.40
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2CCOCC2)N=N1	REAL300020204242	1	39	-1.0	-47.61	352.04	-0.78	-48.39
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204243	0	43	-1.0	-54.98	385.84	-0.92	-55.90
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204243	1	43	-1.0	-54.91	385.90	-0.95	-55.86
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300020204244	0	43	-1.0	-49.21	371.29	1.50	-47.71
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300020204244	1	43	-1.0	-49.15	371.34	1.47	-47.68
CN1C=C(C2=NC=CC=C2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020204245	0	38	-1.0	-50.51	349.96	1.49	-49.02
CN1C=C(C2=NC=CC=C2C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020204245	1	38	-1.0	-50.54	349.91	1.52	-49.02
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C(C2=CC=CC=C2)N1	REAL300020204246	0	36	-1.0	-45.73	339.97	2.51	-43.22
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C(C2=CC=CC=C2)N1	REAL300020204246	1	36	-1.0	-45.69	340.03	2.48	-43.21
CC1=NSC(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204247	0	31	-1.0	-43.56	308.27	0.85	-42.71
CC1=NSC(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204247	1	31	-1.0	-43.51	308.32	0.82	-42.69
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=CC=C2)CC(=O)C1	REAL300020204248	0	38	-1.0	-47.31	348.38	3.43	-43.88
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=CC=C2)CC(=O)C1	REAL300020204248	1	38	-1.0	-47.26	348.44	3.40	-43.86
CC1=CC=CC(Br)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204249	0	32	-1.0	-44.61	321.49	2.99	-41.62
CC1=CC=CC(Br)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204249	1	32	-1.0	-44.58	321.55	2.96	-41.62
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC2=CC=CC=C2C=C1Cl	REAL300020204250	0	34	-1.0	-47.65	334.17	3.00	-44.65
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC2=CC=CC=C2C=C1Cl	REAL300020204250	1	34	-1.0	-47.68	334.12	3.03	-44.65
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C(F)(F)F)=NO1	REAL300020204251	0	28	-1.0	-42.51	298.42	0.44	-42.07
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C(F)(F)F)=NO1	REAL300020204251	1	28	-1.0	-42.58	298.36	0.47	-42.11
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC2=CN=CC=C2S1	REAL300020204252	0	30	-1.0	-45.55	308.41	-0.20	-45.75
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC2=CN=CC=C2S1	REAL300020204252	1	30	-1.0	-45.64	308.36	-0.18	-45.82
CCOC(=O)C(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)=O	REAL300020204253	0	39	-1.0	-50.06	360.92	2.31	-47.75
CCOC(=O)C(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)=O	REAL300020204253	1	39	-1.0	-50.06	360.97	2.28	-47.78
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[NH+](C2CCSC2)CC1	REAL300020204254	0	46	0.0	-71.45	382.19	4.36	-67.09
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[NH+](C2CCSC2)CC1	REAL300020204254	1	46	0.0	-71.42	382.25	4.33	-67.09
COC1=C(Cl)C=C2NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C2=C1	REAL300020204255	0	37	-1.0	-49.71	356.07	1.88	-47.83
COC1=C(Cl)C=C2NC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C2=C1	REAL300020204255	1	37	-1.0	-49.65	356.13	1.85	-47.80
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(C2=CC=CC=C2)OC1=O	REAL300020204256	0	39	-1.0	-50.27	357.02	4.03	-46.24
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(C2=CC=CC=C2)OC1=O	REAL300020204256	1	39	-1.0	-50.26	357.07	4.00	-46.26
CC1=C2SC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=CC=C1	REAL300020204257	0	35	-1.0	-45.76	337.60	4.09	-41.67
CC1=C2SC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=CC=C1	REAL300020204257	1	35	-1.0	-45.70	337.65	4.07	-41.63
CN1N=NC(Br)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204258	0	28	-1.0	-43.10	299.97	-1.21	-44.31
CN1N=NC(Br)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204258	1	28	-1.0	-43.15	299.92	-1.18	-44.33
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)C=C(C(F)(F)F)C=C1F	REAL300020204259	0	32	-1.0	-44.62	333.16	3.02	-41.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C=C(C(F)(F)F)C=C1F	REAL300020204259	1	32	-1.0	-44.60	333.22	2.99	-41.61
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(CCF)N=C1	REAL300020204260	0	32	-1.0	-46.49	311.41	0.79	-45.70
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(CCF)N=C1	REAL300020204260	1	32	-1.0	-46.51	311.36	0.82	-45.69
CCC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1O	REAL300020204261	0	36	-1.0	-45.10	329.94	0.75	-44.35
CCC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1O	REAL300020204261	1	36	-1.0	-45.07	329.99	0.72	-44.35
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020204262	0	45	0.0	-66.73	382.97	4.96	-61.77
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020204262	1	45	0.0	-65.93	383.37	4.99	-60.94
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020204262	1	45	0.0	-66.71	383.03	4.93	-61.78
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020204262	1	45	0.0	-65.90	383.42	4.97	-60.93
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC=C(Br)S1	REAL300020204263	0	25	-1.0	-43.96	287.32	-0.17	-44.13
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC=C(Br)S1	REAL300020204263	1	25	-1.0	-43.97	287.27	-0.14	-44.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=C1NC(=O)C=C2	REAL300020204264	0	35	-1.0	-54.07	324.67	1.47	-52.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=C1NC(=O)C=C2	REAL300020204264	1	35	-1.0	-54.03	324.72	1.44	-52.59
O=C(CCOC1=CC2=CC=CC=C2C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204265	0	42	-1.0	-46.40	378.72	4.66	-41.74
O=C(CCOC1=CC2=CC=CC=C2C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204265	1	42	-1.0	-46.35	378.77	4.63	-41.72
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1	REAL300020204266	0	33	-1.0	-45.07	322.31	0.41	-44.66
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1	REAL300020204266	1	33	-1.0	-45.09	322.36	0.38	-44.71
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204267	0	48	-1.0	-44.94	398.19	1.31	-43.63
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204267	1	48	-1.0	-44.91	398.24	1.28	-43.63
CN1C=NC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=CN=C21	REAL300020204268	0	34	-1.0	-54.18	321.39	2.66	-51.52
CN1C=NC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=CN=C21	REAL300020204268	1	34	-1.0	-54.24	321.33	2.69	-51.55
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(C2CC2)N=NS1	REAL300020204269	0	31	-1.0	-43.17	309.70	0.84	-42.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(C2CC2)N=NS1	REAL300020204269	1	31	-1.0	-43.12	309.76	0.81	-42.31
CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2CC2)=N1	REAL300020204270	0	36	-1.0	-47.75	332.87	1.99	-45.76
CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2CC2)=N1	REAL300020204270	1	36	-1.0	-47.72	332.93	1.96	-45.76
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2NC(=O)CSC2=C1	REAL300020204271	0	35	-1.0	-47.05	338.19	1.09	-45.96
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2NC(=O)CSC2=C1	REAL300020204271	1	35	-1.0	-47.03	338.24	1.06	-45.97
CCCC1=NN=C(SCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1N	REAL300020204272	0	40	-1.0	-48.58	379.73	1.81	-46.77
CCCC1=NN=C(SCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1N	REAL300020204272	1	40	-1.0	-48.56	379.79	1.78	-46.78
CCCC1=NC(C)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020204273	0	37	-1.0	-44.22	340.17	-0.35	-44.57
CCCC1=NC(C)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020204273	1	37	-1.0	-44.18	340.22	-0.38	-44.56
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300020204274	0	42	-1.0	-43.15	358.55	3.88	-39.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300020204274	1	42	-1.0	-43.11	358.62	3.85	-39.26
CC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020204275	0	37	-1.0	-52.25	347.05	3.94	-48.31
CC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020204275	1	37	-1.0	-52.28	347.10	3.91	-48.37
CC1(C)COC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C21	REAL300020204276	0	40	-1.0	-45.36	355.01	3.04	-42.32
CC1(C)COC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C21	REAL300020204276	1	40	-1.0	-45.32	355.06	3.01	-42.31
CC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Cl)=N1	REAL300020204277	0	34	-1.0	-47.58	333.38	1.91	-45.67
CC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=N1	REAL300020204277	1	34	-1.0	-47.52	333.43	1.88	-45.64
CC(C)[NH+]1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204278	0	44	0.0	-63.52	353.66	3.09	-60.43
CC(C)[NH+]1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204278	1	44	0.0	-63.45	353.71	3.06	-60.39
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C12CCC(F)(CC1)CC2	REAL300020204279	0	39	-1.0	-43.12	329.58	3.19	-39.93
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C12CCC(F)(CC1)CC2	REAL300020204279	1	39	-1.0	-43.11	329.63	3.16	-39.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCOC(C2=CC=CC=C2)O1	REAL300020204280	0	41	-1.0	-48.87	367.06	3.37	-45.50
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCOC(C2=CC=CC=C2)O1	REAL300020204280	1	41	-1.0	-48.85	367.11	3.34	-45.51
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COCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020204361	0	39	-1.0	-44.95	334.59	1.84	-43.11
COCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020204361	1	39	-1.0	-44.88	334.65	1.81	-43.07
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CCON1CCC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204369	0	44	-1.0	-45.62	374.86	1.76	-43.86
CCON1CCC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204369	1	44	-1.0	-45.59	374.92	1.73	-43.86
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CCC(CC(F)F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204375	0	34	-1.0	-44.01	309.43	1.78	-42.23
CCC(CC(F)F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204375	1	34	-1.0	-43.93	309.48	1.75	-42.18
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CC(C)(C)C1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020204378	1	41	-1.0	-44.18	342.88	3.23	-40.95
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CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204383	0	49	-1.0	-47.10	408.07	1.83	-45.27
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204383	1	49	-1.0	-47.12	408.12	1.80	-45.32
COC(=O)C1=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)OC=N1	REAL300020204384	0	37	-1.0	-49.22	352.83	-1.18	-50.40
COC(=O)C1=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)OC=N1	REAL300020204384	1	37	-1.0	-49.30	352.78	-1.15	-50.45
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1C[NH+](C2CCCCC2)C1	REAL300020204385	0	45	0.0	-64.25	370.39	3.82	-60.43
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1C[NH+](C2CCCCC2)C1	REAL300020204385	1	45	0.0	-64.20	370.44	3.80	-60.40
NS(=O)(=O)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC=C1	REAL300020204386	0	31	-1.0	-50.98	318.20	-2.83	-53.81
NS(=O)(=O)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC=C1	REAL300020204386	1	31	-1.0	-50.97	318.25	-2.86	-53.83
NS(=O)(=O)CCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204387	0	33	-1.0	-57.01	321.05	-4.46	-61.47
NS(=O)(=O)CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204387	1	33	-1.0	-56.95	321.10	-4.49	-61.44
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204388	0	34	-2.0	-98.05	337.67	-3.43	-101.48
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204388	1	34	-2.0	-97.99	337.73	-3.46	-101.45
NS(=O)(=O)C1=CC=C(O)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204388	1	35	-1.0	-51.21	341.18	-4.44	-55.65
NS(=O)(=O)C1=CC=C(O)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204388	1	35	-1.0	-51.22	341.23	-4.47	-55.69
NS(=O)(=O)C1=CC=C(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020204389	0	38	-1.0	-53.37	365.97	-2.41	-55.78
NS(=O)(=O)C1=CC=C(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020204389	1	38	-1.0	-53.35	366.02	-2.44	-55.79
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1Cl	REAL300020204390	0	34	-1.0	-49.52	345.47	-2.46	-51.98
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1Cl	REAL300020204390	1	34	-1.0	-49.50	345.52	-2.48	-51.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C2C=CC=NN12	REAL300020204391	0	31	-1.0	-50.42	301.14	0.95	-49.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C2C=CC=NN12	REAL300020204391	1	31	-1.0	-50.43	301.08	0.98	-49.45
CC1(C)C(C#N)C1(C#N)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204392	0	34	-1.0	-48.38	324.39	1.99	-46.39
CC1(C)C(C#N)C1(C#N)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204392	1	34	-1.0	-48.35	324.45	1.96	-46.39
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204393	0	37	-1.0	-46.48	361.16	1.50	-44.98
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204393	1	37	-1.0	-46.45	361.21	1.48	-44.97
C[N@@H+]1C[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)[C@@H](C2=CC=CC=C2)C1	REAL300020204394	0	45	0.0	-74.60	381.95	4.72	-69.88
C[N@H+]1C[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)[C@@H](C2=CC=CC=C2)C1	REAL300020204394	1	45	0.0	-72.25	381.42	4.85	-67.40
C[N@@H+]1C[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)[C@@H](C2=CC=CC=C2)C1	REAL300020204394	1	45	0.0	-74.56	382.00	4.68	-69.88
C[N@H+]1C[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)[C@@H](C2=CC=CC=C2)C1	REAL300020204394	1	45	0.0	-72.22	381.47	4.83	-67.39
CN(C)C1=CC=CN=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204395	0	36	-1.0	-47.77	327.91	0.97	-46.80
CN(C)C1=CC=CN=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204395	1	36	-1.0	-47.81	327.86	1.00	-46.81
CC(C)[NH+]1CCN(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204396	0	49	0.0	-63.73	393.76	1.66	-62.07
CC(C)[NH+]1CCN(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204396	1	49	0.0	-63.73	393.81	1.63	-62.10
CCOC(CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1)OCC	REAL300020204397	0	46	-1.0	-47.42	408.76	1.48	-45.94
CCOC(CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1)OCC	REAL300020204397	1	46	-1.0	-47.44	408.71	1.51	-45.93
CCC1(CN2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N=N2)COC1	REAL300020204398	0	42	-1.0	-51.11	372.12	-0.12	-51.23
CCC1(CN2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N=N2)COC1	REAL300020204398	1	42	-1.0	-51.11	372.07	-0.09	-51.20
CC(C)[NH+]1CCN(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204399	0	52	0.0	-64.87	415.26	2.46	-62.41
CC(C)[NH+]1CCN(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204399	1	52	0.0	-64.85	415.31	2.43	-62.42
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(CO)CCOCC1	REAL300020204400	0	37	-1.0	-44.06	315.21	-2.40	-46.46
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(CO)CCOCC1	REAL300020204400	1	37	-1.0	-44.07	315.26	-2.43	-46.50
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=CC(C(F)(F)F)=N1	REAL300020204401	0	30	-1.0	-44.26	310.06	-0.55	-44.81
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=CC(C(F)(F)F)=N1	REAL300020204401	1	30	-1.0	-44.31	310.01	-0.52	-44.83
CC1=NON=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204402	0	30	-1.0	-49.78	295.05	-0.73	-50.51
CC1=NON=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204402	1	30	-1.0	-49.73	295.11	-0.76	-50.49
CC(C)(C)OC(=O)N1CCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204403	0	43	-1.0	-52.66	373.35	2.11	-50.55
CC(C)(C)OC(=O)N1CCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204403	1	43	-1.0	-52.66	373.40	2.08	-50.58
CNC1=NC=NC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C21	REAL300020204404	0	38	-1.0	-49.39	348.08	2.24	-47.15
CNC1=NC=NC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C21	REAL300020204404	1	38	-1.0	-49.44	348.03	2.26	-47.18
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=CC(N2CCOCC2)=C1	REAL300020204405	0	42	-1.0	-44.66	368.59	0.94	-43.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=CC(N2CCOCC2)=C1	REAL300020204405	1	42	-1.0	-44.66	368.64	0.91	-43.75
CN1N=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1Br	REAL300020204406	0	29	-1.0	-45.24	304.18	0.24	-45.00
CN1N=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1Br	REAL300020204406	1	29	-1.0	-45.28	304.12	0.27	-45.01
COC1=CC(Cl)=C(F)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204407	0	33	-1.0	-46.37	328.39	1.92	-44.45
COC1=CC(Cl)=C(F)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204407	1	33	-1.0	-46.31	328.45	1.89	-44.42
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204408	0	39	-1.0	-46.69	363.69	3.90	-42.79
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204408	1	39	-1.0	-46.65	363.75	3.87	-42.78
CC1=CN(C)N=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204409	0	32	-1.0	-48.83	302.34	0.50	-48.33
CC1=CN(C)N=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204409	1	32	-1.0	-48.86	302.28	0.53	-48.33
CCSC1=CC=CN=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204410	0	35	-1.0	-48.32	331.80	2.15	-46.17
CCSC1=CC=CN=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204410	1	35	-1.0	-48.36	331.75	2.18	-46.18
C[C@H](C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020204411	0	39	-1.0	-52.76	361.59	3.12	-49.64
C[C@H](C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020204411	1	39	-1.0	-52.72	361.65	3.09	-49.63
CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C)N=C1	REAL300020204412	0	38	-1.0	-47.03	343.22	1.82	-45.21
CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C)N=C1	REAL300020204412	1	38	-1.0	-47.09	343.17	1.85	-45.24
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C12	REAL300020204413	0	38	-1.0	-46.77	337.30	4.85	-41.92
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C12	REAL300020204413	1	38	-1.0	-46.74	337.36	4.82	-41.92
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL300020204414	0	36	-1.0	-45.37	330.76	4.09	-41.28
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@H]1C[C@@H]1C1=CC=CC=C1	REAL300020204414	1	36	-1.0	-45.33	330.81	4.07	-41.26
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC1(F)C1=CC=CC=C1	REAL300020204415	0	36	-1.0	-48.18	334.52	4.10	-44.08
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC1(F)C1=CC=CC=C1	REAL300020204415	1	36	-1.0	-48.18	334.57	4.07	-44.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Br)N=C2CCCN21	REAL300020204416	0	33	-1.0	-48.09	322.79	2.08	-46.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Br)N=C2CCCN21	REAL300020204416	1	33	-1.0	-48.05	322.84	2.05	-46.00
CC1=CC=CC2=C1OC(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)C2	REAL300020204417	0	37	-1.0	-47.94	338.37	3.60	-44.34
CC1=CC=CC2=C1OC(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)C2	REAL300020204417	1	37	-1.0	-47.99	338.42	3.57	-44.42
CN1C=C(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)O2)C=N1	REAL300020204418	0	36	-1.0	-47.26	347.14	1.66	-45.60
CN1C=C(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)O2)C=N1	REAL300020204418	1	36	-1.0	-47.35	347.09	1.69	-45.66
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=CC(Cl)=C1	REAL300020204419	0	28	-1.0	-43.46	290.01	0.77	-42.69
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=CC(Cl)=C1	REAL300020204419	1	28	-1.0	-43.47	289.96	0.80	-42.67
O=C(CS(=O)(=O)C1CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204420	0	32	-1.0	-56.15	315.03	-1.48	-57.63
O=C(CS(=O)(=O)C1CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204420	1	32	-1.0	-56.18	315.08	-1.51	-57.69
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204421	0	36	-1.0	-47.30	351.53	3.15	-44.15
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204421	1	36	-1.0	-47.31	351.59	3.12	-44.19
CC(C)CC1=CNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204422	0	39	-1.0	-45.33	347.48	2.55	-42.78
CC(C)CC1=CNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204422	1	39	-1.0	-45.31	347.52	2.52	-42.79
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204423	0	39	-1.0	-45.55	358.07	3.35	-42.20
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204423	1	39	-1.0	-45.63	358.02	3.38	-42.25
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1C[C@H]1C1=CC=CC(O)=C1	REAL300020204424	0	37	-1.0	-46.19	341.77	1.24	-44.95
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1C[C@H]1C1=CC=CC(O)=C1	REAL300020204424	1	37	-1.0	-46.17	341.82	1.21	-44.96
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204425	0	46	-1.0	-47.09	389.34	4.21	-42.88
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204425	1	46	-1.0	-47.05	389.39	4.18	-42.87
C[NH+](C)CCN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020204426	0	41	0.0	-73.31	362.77	1.95	-71.36
C[NH+](C)CCN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020204426	1	41	0.0	-73.31	362.72	1.98	-71.33
CCCC(CC(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204427	0	43	-1.0	-43.33	356.44	3.54	-39.79
CCCC(CC(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204427	1	43	-1.0	-43.26	356.49	3.51	-39.75
CCC(CC(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204428	0	40	-1.0	-43.02	335.78	2.79	-40.23
CCC(CC(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204428	1	40	-1.0	-42.97	335.83	2.76	-40.21
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204429	0	39	-1.0	-44.74	368.96	4.78	-39.96
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204429	1	39	-1.0	-44.76	369.01	4.75	-40.01
CCC(O)(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020204430	0	42	-1.0	-43.90	359.11	2.41	-41.49
CCC(O)(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020204430	1	42	-1.0	-43.86	359.16	2.39	-41.47
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)NC2=C(Cl)C=CC=C12	REAL300020204431	0	36	-1.0	-45.03	346.33	3.18	-41.85
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)NC2=C(Cl)C=CC=C12	REAL300020204431	1	36	-1.0	-44.99	346.38	3.16	-41.83
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=CC=CNC2=N1	REAL300020204432	0	32	-1.0	-60.23	308.15	1.35	-58.88
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=CC=CNC2=N1	REAL300020204432	1	32	-1.0	-60.20	308.21	1.32	-58.88
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CC(C)(CC1=CC=C(O)C=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205585	0	42	-1.0	-45.11	364.84	1.53	-43.58
CC(C)(CC1=CC=C(O)C=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205585	1	42	-1.0	-45.07	364.89	1.50	-43.57
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2(CSC2)C1	REAL300020205587	1	34	-1.0	-44.52	318.29	2.49	-42.03
CN1C(CO)=NC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C21	REAL300020205588	0	39	-1.0	-54.01	357.31	-0.24	-54.25
CN1C(CO)=NC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C21	REAL300020205588	1	39	-1.0	-53.97	357.36	-0.27	-54.24
CC1=NC2=CC=C(O)C=C2C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205589	0	38	-1.0	-46.73	346.78	0.27	-46.46
CC1=NC2=CC=C(O)C=C2C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205589	1	38	-1.0	-46.68	346.83	0.25	-46.43
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(CCCO)C1=CC=CC=C1	REAL300020205590	0	42	-1.0	-46.78	371.25	1.39	-45.39
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COC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1O	REAL300020205591	0	37	-1.0	-50.26	343.10	-0.12	-50.38
COC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1O	REAL300020205591	1	37	-1.0	-50.23	343.15	-0.15	-50.38
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CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205592	1	44	-1.0	-46.68	390.12	2.40	-44.28
CC(C1=CC=CC=C1F)C(O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205593	0	39	-1.0	-45.34	351.55	2.35	-42.99
CC(C1=CC=CC=C1F)C(O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205593	1	39	-1.0	-45.30	351.61	2.32	-42.98
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(C(F)F)N=CS1	REAL300020205594	0	28	-1.0	-47.58	293.29	0.07	-47.51
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CS(C)(=O)=NC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020205595	0	39	-1.0	-59.88	359.09	0.47	-59.41
CS(C)(=O)=NC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020205595	1	39	-1.0	-59.81	359.14	0.45	-59.36
CC(C)(C)C1=CSC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020205596	0	37	-1.0	-46.70	346.18	1.67	-45.03
CC(C)(C)C1=CSC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020205596	1	37	-1.0	-46.76	346.13	1.70	-45.06
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(C3CC3)C=CC=C2N1	REAL300020205597	0	40	-1.0	-45.26	360.81	4.06	-41.20
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(C3CC3)C=CC=C2N1	REAL300020205597	1	40	-1.0	-45.23	360.87	4.03	-41.20
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(CC2CC2)N=C1	REAL300020205598	0	36	-1.0	-47.13	336.12	2.22	-44.91
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(CC2CC2)N=C1	REAL300020205598	1	36	-1.0	-47.17	336.07	2.25	-44.92
CC1=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)NC(=O)N1	REAL300020205599	0	35	-1.0	-51.33	328.67	-2.62	-53.95
CC1=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)NC(=O)N1	REAL300020205599	1	35	-1.0	-51.28	328.73	-2.65	-53.93
CC(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NO1	REAL300020205600	0	34	-1.0	-43.78	316.60	1.71	-42.07
CC(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NO1	REAL300020205600	1	34	-1.0	-43.74	316.65	1.68	-42.06
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2N=CNC2=NC=N1	REAL300020205602	0	30	-1.0	-52.85	295.76	0.93	-51.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2N=CNC2=NC=N1	REAL300020205602	1	30	-1.0	-52.77	295.81	0.91	-51.86
CC1(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1	REAL300020205603	0	34	-1.0	-48.54	317.99	-2.82	-51.36
CC1(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1	REAL300020205603	1	34	-1.0	-48.51	318.04	-2.85	-51.36
C=CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020205604	0	36	-1.0	-45.29	333.61	3.84	-41.45
C=CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020205604	1	36	-1.0	-45.32	333.66	3.81	-41.51
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CCC(O)CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1	REAL300020205606	0	38	-1.0	-52.71	354.03	-2.55	-55.26
CCC(O)CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1	REAL300020205606	1	38	-1.0	-52.77	353.98	-2.52	-55.29
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CS(C)(=O)=NC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205608	0	39	-1.0	-59.25	357.36	0.66	-58.59
CS(C)(=O)=NC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205608	1	39	-1.0	-59.18	357.41	0.63	-58.55
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CCCCCCC(O)CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205611	0	47	-1.0	-44.05	402.89	1.97	-42.08
CCCCCCC(O)CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205611	1	47	-1.0	-44.00	402.94	1.94	-42.06
CN(C)C(=O)C=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205612	0	33	-1.0	-47.65	311.67	-0.18	-47.83
CN(C)C(=O)C=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205612	1	33	-1.0	-47.57	311.72	-0.21	-47.78
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COC1=CN=NC(OC)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205614	0	35	-1.0	-47.88	333.44	-3.28	-51.16
COC1=CN=NC(OC)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205614	1	35	-1.0	-47.90	333.39	-3.25	-51.15
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CC1CCC2=NNC=C2C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205616	0	39	-1.0	-47.39	338.41	1.38	-46.01
CC1CCC2=NNC=C2C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205616	1	39	-1.0	-47.33	338.46	1.35	-45.98
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1OC[C@@H]2CCC[C@@H]21	REAL300020205617	0	37	-1.0	-46.98	318.30	1.83	-45.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1OC[C@@H]2CCC[C@@H]21	REAL300020205617	1	37	-1.0	-46.98	318.36	1.81	-45.17
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CSC1=NC=CN=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205620	0	31	-1.0	-47.23	308.74	-0.28	-47.51
CSC1=NC=CN=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205620	1	31	-1.0	-47.24	308.69	-0.25	-47.49
CC1=CC2=C(S1)C(CC(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)=CS2	REAL300020205621	0	35	-1.0	-47.56	351.62	3.97	-43.59
CC1=CC2=C(S1)C(CC(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)=CS2	REAL300020205621	1	35	-1.0	-47.51	351.67	3.94	-43.57
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CN1N=C2CCSCC2=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205623	0	37	-1.0	-45.16	347.33	1.79	-43.37
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CC1=CC=C(NC2CC2)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020205624	0	41	-1.0	-44.65	360.19	3.57	-41.08
CC1=CC=C(NC2CC2)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020205624	1	41	-1.0	-44.66	360.24	3.54	-41.12
CCCCNC1=NC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020205625	0	42	-1.0	-47.92	387.69	2.17	-45.75
CCCCNC1=NC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020205625	1	42	-1.0	-47.90	387.74	2.14	-45.76
CNC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020205626	0	33	-1.0	-47.34	310.43	-0.90	-48.24
CNC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020205626	1	33	-1.0	-47.39	310.38	-0.86	-48.25
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CN2CCOCC2)O1	REAL300020205629	0	42	-1.0	-46.53	372.34	-0.61	-47.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(CN2CCOCC2)O1	REAL300020205629	1	42	-1.0	-46.47	372.40	-0.64	-47.11
CN1CCC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1=O	REAL300020205630	0	36	-1.0	-56.27	322.88	1.73	-54.54
CN1CCC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1=O	REAL300020205630	1	36	-1.0	-56.22	322.94	1.70	-54.52
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(CC2CNC(=O)O2)N=N1	REAL300020205631	0	37	-1.0	-64.80	352.90	-3.64	-68.44
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(CC2CNC(=O)O2)N=N1	REAL300020205631	1	37	-1.0	-64.81	352.84	-3.61	-68.42
CCC1CCCC1(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205632	0	41	-1.0	-43.74	337.84	3.37	-40.37
CCC1CCCC1(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205632	1	41	-1.0	-43.69	337.89	3.34	-40.35
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL300020205633	0	39	-1.0	-43.81	351.43	4.47	-39.34
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL300020205633	1	39	-1.0	-43.79	351.48	4.44	-39.35
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL300020205634	0	45	-1.0	-45.45	387.82	4.28	-41.17
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CC(C)[N@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205838	1	44	0.0	-62.37	357.31	3.27	-59.10
CC(C)[N@@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205838	1	44	0.0	-57.11	351.10	3.44	-53.67
CC(C)[N@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205838	1	44	0.0	-62.33	357.37	3.24	-59.09
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300020205839	0	42	0.0	-67.06	368.38	3.38	-63.68
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CN2CCCC2)O1	REAL300020205839	1	41	-1.0	-44.54	364.75	0.82	-43.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(CN2CCCC2)O1	REAL300020205839	1	41	-1.0	-44.51	364.80	0.79	-43.72
CC(=O)NC1=CN=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205840	0	35	-1.0	-46.54	325.53	-0.47	-47.01
CC(=O)NC1=CN=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205840	1	35	-1.0	-46.59	325.48	-0.44	-47.03
CCC[N@@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205841	0	44	0.0	-63.42	362.16	3.49	-59.93
CCC[N@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205841	1	44	0.0	-60.04	355.89	3.70	-56.34
CCC[N@@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205841	1	44	0.0	-63.43	362.21	3.47	-59.96
CCC[N@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205841	1	44	0.0	-59.99	355.94	3.67	-56.32
C[N@@H+]1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)(F)F)C1	REAL300020205842	0	38	0.0	-66.53	342.41	2.20	-64.33
C[N@H+]1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)(F)F)C1	REAL300020205842	1	38	0.0	-67.48	342.91	2.21	-65.27
CC(CC[NH+](C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205843	0	40	0.0	-66.33	338.45	2.37	-63.96
CC(CC[NH+](C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205843	1	40	0.0	-66.25	338.50	2.35	-63.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC=C(Br)C=C1[O-]	REAL300020205844	0	28	-2.0	-92.40	302.04	0.50	-91.90
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC=C(Br)C=C1[O-]	REAL300020205844	1	28	-2.0	-92.36	302.09	0.47	-91.89
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CCCCC(O)CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205845	1	41	-1.0	-44.13	359.94	0.38	-43.75
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O=C(CC1=NC(C2CCCC2)=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205846	1	41	-1.0	-48.34	371.49	2.91	-45.43
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CN1N=C(C2=CC=CN=C2)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205847	1	38	-1.0	-46.86	353.10	1.59	-45.27
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205848	0	38	-1.0	-45.79	353.48	1.63	-44.16
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205848	1	38	-1.0	-45.73	353.53	1.60	-44.13
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205849	0	39	-1.0	-52.96	365.95	-1.87	-54.83
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205849	1	39	-1.0	-52.88	366.00	-1.90	-54.78
CCN1N=C(C2CC2)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205850	0	39	-1.0	-44.10	352.04	2.75	-41.35
CCN1N=C(C2CC2)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205850	1	39	-1.0	-44.09	352.09	2.73	-41.36
CC1=CN2N=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2N=C1	REAL300020205851	0	34	-1.0	-54.19	323.84	1.59	-52.60
CC1=CN2N=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2N=C1	REAL300020205851	1	34	-1.0	-54.26	323.79	1.62	-52.64
O=C(CC1CCC2(CCC2)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205852	0	40	-1.0	-48.59	346.99	2.80	-45.79
O=C(CC1CCC2(CCC2)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205852	1	40	-1.0	-48.55	347.05	2.77	-45.78
C=C1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020205853	0	36	-1.0	-43.60	316.36	2.75	-40.85
C=C1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020205853	1	36	-1.0	-43.60	316.41	2.72	-40.88
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCOC2(CCC2)C1	REAL300020205854	0	40	-1.0	-43.80	339.71	1.78	-42.02
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCOC2(CCC2)C1	REAL300020205854	1	40	-1.0	-43.74	339.75	1.75	-41.99
COC1=CC2=CC=C(C=CC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2C=C1	REAL300020205855	0	43	-1.0	-47.59	388.31	4.81	-42.78
COC1=CC2=CC=C(C=CC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2C=C1	REAL300020205855	1	43	-1.0	-47.57	388.36	4.79	-42.78
O=C(CC1=NC(C2CCCCC2)=CS1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205856	0	44	-1.0	-48.30	390.45	3.60	-44.70
O=C(CC1=NC(C2CCCCC2)=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205856	1	44	-1.0	-48.27	390.50	3.57	-44.70
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC=CCCC1	REAL300020205858	1	39	-1.0	-43.30	322.59	3.14	-40.16
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL300020205859	0	41	-1.0	-47.94	365.49	4.53	-43.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL300020205859	1	41	-1.0	-48.01	365.44	4.56	-43.45
CN1N=C2CCCC2=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205860	0	36	-1.0	-46.00	328.99	1.58	-44.42
CN1N=C2CCCC2=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205860	1	36	-1.0	-45.96	329.04	1.55	-44.41
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NN1C1CC1	REAL300020205861	0	33	-1.0	-44.82	309.84	1.45	-43.37
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NN1C1CC1	REAL300020205861	1	33	-1.0	-44.87	309.79	1.47	-43.40
CC1=CC=C([N+](=O)[O-])C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C	REAL300020205862	0	37	-1.0	-56.62	343.24	3.91	-52.71
CC1=CC=C([N+](=O)[O-])C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C	REAL300020205862	1	37	-1.0	-56.55	343.29	3.88	-52.67
CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Br)=N1	REAL300020205863	0	29	-1.0	-48.29	302.15	0.29	-48.00
CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Br)=N1	REAL300020205863	1	29	-1.0	-48.36	302.09	0.32	-48.04
CC1=CN=C(F)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205864	0	31	-1.0	-44.31	296.11	0.88	-43.43
CC1=CN=C(F)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205864	1	31	-1.0	-44.33	296.06	0.90	-43.43
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCO1	REAL300020205865	0	36	-1.0	-46.34	315.03	1.55	-44.79
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCO1	REAL300020205865	1	36	-1.0	-46.29	315.08	1.52	-44.77
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2(C1)CC(F)(F)C2	REAL300020205866	0	36	-1.0	-44.61	331.65	3.07	-41.54
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2(C1)CC(F)(F)C2	REAL300020205866	1	36	-1.0	-44.52	331.70	3.05	-41.47
C[C@H](C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CC2=CC=CC=C2C1=O	REAL300020205867	0	40	-1.0	-54.44	360.77	3.77	-50.67
C[C@H](C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1CC2=CC=CC=C2C1=O	REAL300020205867	1	40	-1.0	-54.44	360.83	3.74	-50.70
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=COC2=C1C(=O)NCCC2	REAL300020205868	0	37	-1.0	-57.38	336.72	-0.07	-57.45
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=COC2=C1C(=O)NCCC2	REAL300020205868	1	37	-1.0	-57.35	336.78	-0.10	-57.45
CC1=NC(=O)C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2N1	REAL300020205869	0	37	-1.0	-55.95	345.52	0.31	-55.64
CC1=NC(=O)C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2N1	REAL300020205869	1	37	-1.0	-55.94	345.57	0.28	-55.66
C[C@H](NC(=O)CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020205870	0	45	-1.0	-47.32	401.36	2.77	-44.55
C[C@H](NC(=O)CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020205870	1	45	-1.0	-47.31	401.41	2.74	-44.57
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(Cl)C=NC=C2S1	REAL300020205871	0	31	-1.0	-43.62	328.39	2.14	-41.48
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(Cl)C=NC=C2S1	REAL300020205871	1	31	-1.0	-43.63	328.34	2.17	-41.46
N#CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)NC2=CC=CC=C21	REAL300020205872	0	34	-1.0	-48.68	331.36	2.42	-46.26
N#CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)NC2=CC=CC=C21	REAL300020205872	1	34	-1.0	-48.63	331.41	2.39	-46.24
NC1=C(Cl)C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020205873	0	33	-1.0	-44.81	331.38	1.37	-43.44
NC1=C(Cl)C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020205873	1	33	-1.0	-44.76	331.43	1.34	-43.42
NC1=NN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1	REAL300020205874	0	29	-1.0	-51.28	289.52	-1.57	-52.85
NC1=NN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1	REAL300020205874	1	29	-1.0	-51.28	289.47	-1.55	-52.83
CNC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Cl)=C1	REAL300020205875	0	34	-1.0	-46.29	325.54	1.39	-44.90
CNC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=C1	REAL300020205875	1	34	-1.0	-46.28	325.59	1.36	-44.92
O=C(CC1=COC2=C(F)C(F)=CC=C12)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205876	0	35	-1.0	-49.57	343.45	3.23	-46.34
O=C(CC1=COC2=C(F)C(F)=CC=C12)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205876	1	35	-1.0	-49.48	343.50	3.20	-46.28
CCSC1=CC=CC=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205877	0	39	-1.0	-47.50	361.77	4.49	-43.01
CCSC1=CC=CC=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205877	1	39	-1.0	-47.43	361.83	4.46	-42.97
C=CCOC1=CC=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC	REAL300020205878	0	45	-1.0	-47.86	406.13	3.98	-43.88
C=CCOC1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC	REAL300020205878	1	45	-1.0	-47.86	406.18	3.95	-43.91
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(O)C1=CC=CC(Br)=C1	REAL300020205879	0	33	-1.0	-44.77	331.75	1.44	-43.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(O)C1=CC=CC(Br)=C1	REAL300020205879	1	33	-1.0	-44.67	331.80	1.41	-43.26
CC1=NC(C)=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020205880	0	34	-1.0	-47.47	329.09	1.24	-46.23
CC1=NC(C)=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020205880	1	34	-1.0	-47.40	329.14	1.21	-46.19
O=C(COCC1=CC=CC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205881	0	35	-1.0	-48.65	330.07	1.43	-47.22
O=C(COCC1=CC=CC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205881	1	35	-1.0	-48.61	330.13	1.41	-47.20
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205882	0	46	-1.0	-50.82	395.61	0.93	-49.89
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205882	1	46	-1.0	-50.85	395.66	0.90	-49.95
COC1=CC=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020205883	0	38	-1.0	-46.77	351.33	0.22	-46.55
COC1=CC=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020205883	1	38	-1.0	-46.83	351.28	0.25	-46.58
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205884	0	49	-1.0	-43.91	417.47	2.18	-41.73
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205884	1	49	-1.0	-43.89	417.52	2.15	-41.74
O=C(CC1CCC2=C(C=CS2)C1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205885	0	38	-1.0	-55.65	353.20	4.65	-51.00
O=C(CC1CCC2=C(C=CS2)C1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205885	1	38	-1.0	-55.59	353.25	4.62	-50.97
CCN1C=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205886	0	33	-1.0	-44.84	321.57	2.90	-41.94
CCN1C=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205886	1	33	-1.0	-44.73	321.63	2.87	-41.86
CC(C)(C)OC(=O)NC1CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205887	0	49	-1.0	-49.62	416.75	1.58	-48.04
CC(C)(C)OC(=O)NC1CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205887	1	49	-1.0	-49.56	416.80	1.56	-48.00
CC1C2=CNN=C2CCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205888	0	39	-1.0	-46.45	337.95	1.34	-45.11
CC1C2=CNN=C2CCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205888	1	39	-1.0	-46.39	338.00	1.32	-45.07
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2CC2)CCC1	REAL300020205889	1	36	-1.0	-43.57	310.87	2.99	-40.58
COC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCSC1	REAL300020205890	0	34	-1.0	-43.21	310.32	0.60	-42.61
COC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCSC1	REAL300020205890	1	34	-1.0	-43.17	310.37	0.57	-42.60
COC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCS(=O)(=O)C1	REAL300020205891	0	36	-1.0	-50.38	329.89	-3.15	-53.53
COC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCS(=O)(=O)C1	REAL300020205891	1	36	-1.0	-50.37	329.94	-3.16	-53.53
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN=C1C(F)F	REAL300020205892	0	31	-1.0	-48.60	298.89	1.22	-47.38
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CC(C)(C)OC(=O)NOCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205893	0	40	-1.0	-53.11	361.76	0.23	-52.88
CC(C)(C)OC(=O)NOCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205893	1	40	-1.0	-53.05	361.81	0.21	-52.84
CN(CCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)OC(C)(C)C	REAL300020205894	0	51	-1.0	-50.16	432.25	3.68	-46.48
CN(CCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)OC(C)(C)C	REAL300020205894	1	51	-1.0	-50.09	432.30	3.66	-46.43
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205895	0	47	-1.0	-47.51	393.51	1.10	-46.41
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205895	1	47	-1.0	-47.45	393.56	1.07	-46.38
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205896	0	38	-1.0	-52.15	341.49	2.53	-49.62
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205896	1	38	-1.0	-52.15	341.54	2.50	-49.65
CC12CC3CC(C1)CC(C(=O)NCC1=NC(C4=N[N-]N=N4)=CS1)(C3)C2	REAL300020205897	0	46	-1.0	-43.39	363.18	4.48	-38.91
CC12CC3CC(C1)CC(C(=O)NCC1=NC(C4=NN=N[N-]4)=CS1)(C3)C2	REAL300020205897	1	46	-1.0	-43.36	363.24	4.45	-38.91
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2CCCCC2)CC1	REAL300020205898	0	42	-1.0	-43.54	348.03	4.30	-39.24
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2CCCCC2)CC1	REAL300020205898	1	42	-1.0	-43.52	348.08	4.27	-39.25
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL300020205899	0	42	-1.0	-52.01	373.72	2.93	-49.08
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL300020205899	1	42	-1.0	-51.94	373.77	2.90	-49.04
COC1=CC=CC(C(F)F)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205900	0	36	-1.0	-48.58	338.87	2.38	-46.20
COC1=CC=CC(C(F)F)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205900	1	36	-1.0	-48.52	338.93	2.35	-46.17
CC1=CC=C(F)C(Br)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205901	0	32	-1.0	-44.18	327.20	3.01	-41.17
CC1=CC=C(F)C(Br)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205901	1	32	-1.0	-44.14	327.25	2.98	-41.16
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205902	0	46	-1.0	-54.60	392.11	2.41	-52.19
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205902	1	46	-1.0	-54.60	392.16	2.38	-52.22
CCN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2=CC=CC=C2)=N1	REAL300020205903	0	42	-1.0	-48.97	378.50	4.22	-44.75
CCN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2=CC=CC=C2)=N1	REAL300020205903	1	42	-1.0	-48.99	378.45	4.25	-44.74
N#CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC2CCC1CC2	REAL300020205904	0	40	-1.0	-47.39	337.69	3.13	-44.26
N#CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC2CCC1CC2	REAL300020205904	1	40	-1.0	-47.37	337.74	3.10	-44.27
COC1=CC=CC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=NN21	REAL300020205905	0	36	-1.0	-52.88	335.06	0.54	-52.34
COC1=CC=CC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=NN21	REAL300020205905	1	36	-1.0	-52.92	335.01	0.57	-52.35
COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205906	0	32	-1.0	-48.85	306.50	1.21	-47.64
COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205906	1	32	-1.0	-48.79	306.55	1.18	-47.61
COC(=O)C1=CC(C)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020205907	0	35	-1.0	-44.71	337.24	1.57	-43.14
COC(=O)C1=CC(C)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020205907	1	35	-1.0	-44.68	337.29	1.54	-43.14
CC1=CC=C(C2=NOC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C2)C=C1	REAL300020205908	0	40	-1.0	-49.85	367.67	4.08	-45.77
CC1=CC=C(C2=NOC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C2)C=C1	REAL300020205908	1	40	-1.0	-49.84	367.72	4.05	-45.79
CC1=CC=C(C)C(C2=NOC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C2)=C1	REAL300020205909	0	43	-1.0	-48.23	383.07	4.93	-43.30
CC1=CC=C(C)C(C2=NOC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C2)=C1	REAL300020205909	1	43	-1.0	-48.20	383.13	4.91	-43.29
CC1CCC2=C(C1)C(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)=NN2	REAL300020205910	0	39	-1.0	-47.75	343.16	1.50	-46.25
CC1CCC2=C(C1)C(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)=NN2	REAL300020205910	1	39	-1.0	-47.70	343.21	1.47	-46.23
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205911	0	37	-1.0	-46.14	325.69	1.33	-44.81
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COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205912	0	43	-1.0	-46.97	357.15	3.99	-42.98
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205912	1	43	-1.0	-46.91	357.21	3.96	-42.95
CCC1=NC(C)=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=N1	REAL300020205913	0	42	-1.0	-48.94	371.01	2.30	-46.64
CCC1=NC(C)=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=N1	REAL300020205913	1	42	-1.0	-48.90	371.06	2.27	-46.63
O=C(CC(F)(F)C(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205914	0	28	-1.0	-51.08	287.01	0.96	-50.12
O=C(CC(F)(F)C(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205914	1	28	-1.0	-51.05	287.06	0.94	-50.11
NC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205915	0	36	-1.0	-52.58	323.19	-1.70	-54.28
NC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205915	1	36	-1.0	-52.53	323.24	-1.73	-54.26
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NSC2=CC=CC=C21	REAL300020205916	0	31	-1.0	-46.64	308.97	2.04	-44.60
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NSC2=CC=CC=C21	REAL300020205916	1	31	-1.0	-46.67	308.92	2.07	-44.60
C[C@@H]1CC=CC[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205917	0	36	-1.0	-43.53	315.13	2.74	-40.79
C[C@@H]1CC=CC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205917	1	36	-1.0	-43.44	315.18	2.72	-40.72
CC(C)(C)N1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1=O	REAL300020205918	0	45	-1.0	-51.94	368.50	2.51	-49.43
CC(C)(C)N1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1=O	REAL300020205918	1	45	-1.0	-51.88	368.56	2.48	-49.40
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205919	0	39	-1.0	-46.05	351.16	4.88	-41.17
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205919	1	39	-1.0	-46.01	351.22	4.85	-41.16
CC(=O)C1=CN=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020205920	0	33	-1.0	-49.86	314.64	0.69	-49.17
CC(=O)C1=CN=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020205920	1	33	-1.0	-49.84	314.69	0.67	-49.17
O=C(CCCC1=CC=C(C2CC2)C=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205921	0	45	-1.0	-45.98	394.95	6.44	-39.54
O=C(CCCC1=CC=C(C2CC2)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205921	1	45	-1.0	-45.95	395.01	6.41	-39.54
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(CCOC2)NC1=O	REAL300020205922	0	37	-1.0	-53.16	334.24	-0.72	-53.88
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(CCOC2)NC1=O	REAL300020205922	1	37	-1.0	-53.13	334.29	-0.75	-53.88
COC1=CC(OC)=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020205923	0	35	-1.0	-44.69	335.74	-3.47	-48.16
COC1=CC(OC)=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020205923	1	35	-1.0	-44.75	335.68	-3.44	-48.19
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCS1(=O)=O	REAL300020205924	0	35	-1.0	-52.17	320.59	-0.36	-52.53
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCS1(=O)=O	REAL300020205924	1	35	-1.0	-52.13	320.65	-0.38	-52.51
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC(CC2=CC=CC=C2)=C1	REAL300020205925	0	38	-1.0	-46.96	360.25	3.95	-43.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC(CC2=CC=CC=C2)=C1	REAL300020205925	1	38	-1.0	-46.97	360.30	3.93	-43.04
COC1=CC2=NC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2C=C1	REAL300020205926	0	38	-1.0	-48.70	349.00	1.73	-46.97
COC1=CC2=NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2C=C1	REAL300020205926	1	38	-1.0	-48.76	348.95	1.75	-47.01
N#CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CS1	REAL300020205927	0	27	-1.0	-49.40	287.81	1.41	-47.99
N#CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CS1	REAL300020205927	1	27	-1.0	-49.31	287.86	1.39	-47.92
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1C2CCC(=O)C21	REAL300020205928	0	32	-1.0	-45.26	293.02	1.36	-43.90
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1C2CCC(=O)C21	REAL300020205928	1	32	-1.0	-45.29	293.07	1.33	-43.96
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN2CCCC(=O)C2=C1	REAL300020205929	0	35	-1.0	-50.85	328.63	0.53	-50.32
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN2CCCC(=O)C2=C1	REAL300020205929	1	35	-1.0	-50.79	328.68	0.51	-50.28
CC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C	REAL300020205930	0	37	-1.0	-46.92	336.81	3.23	-43.69
CC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C	REAL300020205930	1	37	-1.0	-46.88	336.87	3.20	-43.68
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(C2=CC=CC=N2)=NO1	REAL300020205931	0	36	-1.0	-50.16	342.52	1.63	-48.53
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(C2=CC=CC=N2)=NO1	REAL300020205931	1	36	-1.0	-50.20	342.47	1.66	-48.54
CC1=CC(Br)=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020205932	0	32	-1.0	-45.61	334.40	3.20	-42.41
CC1=CC(Br)=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020205932	1	32	-1.0	-45.57	334.45	3.18	-42.39
CCN1N=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C1CC1	REAL300020205933	0	39	-1.0	-48.02	355.91	2.69	-45.33
CCN1N=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C1CC1	REAL300020205933	1	39	-1.0	-47.94	355.96	2.66	-45.28
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CNC3=CC=CC=C23)=NN1	REAL300020205934	0	40	-1.0	-49.97	373.61	2.10	-47.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CNC3=CC=CC=C23)=NN1	REAL300020205934	1	40	-1.0	-49.94	373.66	2.07	-47.87
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205935	0	41	-1.0	-50.54	347.80	3.40	-47.14
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205935	1	41	-1.0	-50.51	347.85	3.37	-47.14
CC1=NOC(C)(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205936	0	33	-1.0	-48.50	307.49	0.01	-48.49
CC1=NOC(C)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205936	1	33	-1.0	-48.50	307.54	-0.02	-48.52
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CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCOCC1	REAL300020205937	1	48	-1.0	-44.28	395.00	2.53	-41.75
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CC(C)[C@H](C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CC2=CC=CC=C2C1=O	REAL300020205972	0	46	-1.0	-53.57	396.02	6.07	-47.50
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NC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300020205973	0	33	-1.0	-43.08	340.51	1.71	-41.37
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NC1=CC=NN1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205974	0	31	-1.0	-48.33	298.28	-1.10	-49.43
NC1=CC=NN1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205974	1	31	-1.0	-48.35	298.23	-1.07	-49.42
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CC1CCC(C(=O)CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020205982	1	46	-1.0	-44.79	383.42	4.26	-40.53
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CC(SC1=CC=C(F)C=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205985	0	36	-1.0	-44.43	351.53	3.99	-40.44
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CN2C=CN=N2)O1	REAL300020205988	1	35	-1.0	-52.61	340.58	0.68	-51.93
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2=CC=CC=N2)N=C1	REAL300020205989	0	35	-1.0	-49.47	336.35	2.52	-46.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2=CC=CC=N2)N=C1	REAL300020205989	1	35	-1.0	-49.53	336.30	2.55	-46.98
CC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1Cl	REAL300020205990	0	35	-1.0	-45.32	338.30	3.85	-41.47
CC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1Cl	REAL300020205990	1	35	-1.0	-45.29	338.35	3.82	-41.47
O=C(CC1=CC=C(O)C(O)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205991	0	34	-1.0	-50.88	324.61	-2.18	-53.06
O=C(CC1=CC=C(O)C(O)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205991	1	34	-1.0	-50.86	324.66	-2.21	-53.07
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205992	0	44	0.0	-59.84	363.38	3.62	-56.22
CC(C)C[N@H+]1CCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205992	1	44	0.0	-60.12	354.70	3.36	-56.76
CC(C)CN1CCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205992	1	43	-1.0	-44.75	363.52	1.74	-43.01
O=C(CN1CCC(CO)CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205993	0	41	-1.0	-46.51	349.89	-2.53	-49.04
O=C(CN1CCC(CO)CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205993	1	41	-1.0	-46.44	349.94	-2.56	-49.00
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205994	0	34	-1.0	-48.92	343.51	3.80	-45.12
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205994	1	34	-1.0	-48.86	343.56	3.77	-45.09
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C[N-]N=CC1=O	REAL300020205995	0	27	-2.0	-82.53	272.89	-1.39	-83.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C[N-]N=CC1=O	REAL300020205995	1	27	-2.0	-82.50	272.94	-1.42	-83.92
CN1N=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C=O	REAL300020205996	0	31	-1.0	-48.19	304.12	-0.60	-48.79
CN1N=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C=O	REAL300020205996	1	31	-1.0	-48.24	304.06	-0.58	-48.82
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CS(=O)(=O)CCC1	REAL300020205997	0	33	-1.0	-54.44	312.20	-1.70	-56.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CS(=O)(=O)CCC1	REAL300020205997	1	33	-1.0	-54.39	312.25	-1.72	-56.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC2(CC1)N=N2	REAL300020205998	0	35	-1.0	-45.71	316.83	-3.10	-48.81
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC2(CC1)N=N2	REAL300020205998	1	35	-1.0	-45.68	316.88	-3.13	-48.81
O=CC1=CC=C(C2=CC=C(O)C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)O1	REAL300020205999	0	39	-1.0	-59.22	370.71	2.76	-56.46
O=CC1=CC=C(C2=CC=C(O)C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)O1	REAL300020205999	1	39	-1.0	-59.18	370.76	2.73	-56.45
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)O1	REAL300020205999	1	38	-2.0	-108.50	367.15	3.77	-104.73
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)O1	REAL300020205999	1	38	-2.0	-108.45	367.20	3.74	-104.71
CC1CN2CC[N@@H+]1CC2C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206000	0	41	0.0	-68.58	331.18	-0.54	-69.12
CC1CN2CC[N@H+]1CC2C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206000	1	41	0.0	-69.53	329.68	-0.62	-70.15
CC1CN2CC[N@@H+]1CC2C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206000	1	41	0.0	-68.55	331.23	-0.57	-69.12
CC1CN2CC[N@H+]1CC2C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206000	1	41	0.0	-69.53	329.73	-0.64	-70.17
CC1CN2CCN1CC2C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206000	1	40	-1.0	-43.87	328.27	-2.90	-46.77
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN2CCCC(O)C2=C1	REAL300020206001	0	37	-1.0	-48.84	336.01	-1.86	-50.70
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN2CCCC(O)C2=C1	REAL300020206001	1	37	-1.0	-48.81	336.06	-1.89	-50.70
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2N=CNC2=CC=C1F	REAL300020206002	0	32	-1.0	-55.58	314.32	1.61	-53.97
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2N=CNC2=CC=C1F	REAL300020206002	1	32	-1.0	-55.57	314.38	1.58	-53.99
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC=C(C(F)(F)F)C=C1Cl	REAL300020206003	0	31	-1.0	-43.28	326.90	1.80	-41.48
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC=C(C(F)(F)F)C=C1Cl	REAL300020206003	1	31	-1.0	-43.30	326.85	1.83	-41.47
CC1=NN(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1	REAL300020206004	0	41	-1.0	-51.87	368.41	2.58	-49.29
CC1=NN(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1	REAL300020206004	1	41	-1.0	-51.85	368.46	2.55	-49.30
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC=CC2=CC=CN=C21	REAL300020206005	0	33	-1.0	-53.59	314.74	1.12	-52.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC=CC2=CC=CN=C21	REAL300020206005	1	33	-1.0	-53.58	314.69	1.15	-52.43
CC1=C(Br)C=CC(F)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206006	0	32	-1.0	-45.95	325.79	3.02	-42.93
CC1=C(Br)C=CC(F)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206006	1	32	-1.0	-45.89	325.84	3.00	-42.89
CC1(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCS(=O)(=O)N1	REAL300020206007	0	37	-1.0	-56.61	334.05	-3.12	-59.73
CC1(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCS(=O)(=O)N1	REAL300020206007	1	37	-1.0	-56.57	334.10	-3.15	-59.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC2=CC(Cl)=CC=C21	REAL300020206008	0	34	-1.0	-44.26	331.16	2.91	-41.35
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC2=CC(Cl)=CC=C21	REAL300020206008	1	34	-1.0	-44.35	331.10	2.94	-41.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2OCCNC(=O)C2=C1	REAL300020206009	0	38	-1.0	-53.43	346.50	-0.71	-54.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2OCCNC(=O)C2=C1	REAL300020206009	1	38	-1.0	-53.41	346.55	-0.73	-54.14
O=C(CC1C(=O)NC2=C(F)C=CC=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206010	0	37	-1.0	-50.08	346.49	2.49	-47.59
O=C(CC1C(=O)NC2=C(F)C=CC=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206010	1	37	-1.0	-50.03	346.55	2.46	-47.57
CC1=CC=CN2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C12	REAL300020206011	0	36	-1.0	-48.24	333.21	4.29	-43.95
CC1=CC=CN2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C12	REAL300020206011	1	36	-1.0	-48.23	333.26	4.26	-43.97
COC1=CC=CC(CC(C)CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206012	0	45	-1.0	-47.51	387.89	4.03	-43.48
COC1=CC=CC(CC(C)CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206012	1	45	-1.0	-47.45	387.94	4.00	-43.45
CC(C)C1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCO1	REAL300020206013	0	42	-1.0	-43.69	347.96	1.93	-41.76
CC(C)C1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCO1	REAL300020206013	1	42	-1.0	-43.63	348.01	1.90	-41.73
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=C1CCOC2	REAL300020206014	0	37	-1.0	-45.30	326.33	2.15	-43.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=C1CCOC2	REAL300020206014	1	37	-1.0	-45.27	326.39	2.12	-43.15
O=C(CC1CCCC(C(F)(F)F)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206015	0	39	-1.0	-48.96	349.17	2.54	-46.42
O=C(CC1CCCC(C(F)(F)F)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206015	1	39	-1.0	-48.95	349.23	2.51	-46.44
O=C(CC1CCCC1(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206016	0	35	-1.0	-44.82	316.99	2.48	-42.34
O=C(CC1CCCC1(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206016	1	35	-1.0	-44.83	317.05	2.46	-42.37
COC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CS(=O)(=O)C1	REAL300020206017	0	33	-1.0	-48.73	315.99	-3.90	-52.63
COC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CS(=O)(=O)C1	REAL300020206017	1	33	-1.0	-48.67	316.05	-3.93	-52.60
O=C(CC1CCC(C2CC2)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206018	0	40	-1.0	-48.28	351.69	3.08	-45.20
O=C(CC1CCC(C2CC2)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206018	1	40	-1.0	-48.30	351.74	3.05	-45.25
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@H]1CC[C@H](NC2=CN=CC=N2)CC1	REAL300020206019	0	45	-1.0	-47.89	386.30	1.33	-46.56
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@H]1CC[C@H](NC2=CN=CC=N2)CC1	REAL300020206019	1	45	-1.0	-47.97	386.25	1.36	-46.61
COC1=CC=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020206020	0	35	-1.0	-48.97	328.49	-0.28	-49.25
COC1=CC=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020206020	1	35	-1.0	-48.89	328.54	-0.31	-49.20
CC(C)(C1=NN=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1)S(C)(=O)=O	REAL300020206021	0	39	-1.0	-61.61	370.79	-6.29	-67.90
CC(C)(C1=NN=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1)S(C)(=O)=O	REAL300020206021	1	39	-1.0	-61.70	370.75	-6.27	-67.97
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@H]1CC[C@H](NC2=NC=CC=N2)CC1	REAL300020206022	0	45	-1.0	-48.59	389.78	3.99	-44.60
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@H]1CC[C@H](NC2=NC=CC=N2)CC1	REAL300020206022	1	45	-1.0	-48.61	389.72	4.02	-44.59
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CS(=O)(=O)CC(=O)N1	REAL300020206023	0	33	-1.0	-55.52	321.41	-5.29	-60.81
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CS(=O)(=O)CC(=O)N1	REAL300020206023	1	33	-1.0	-55.50	321.47	-5.32	-60.82
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC[C@@H]2C[C@@H]2CC1	REAL300020206024	0	39	-1.0	-43.54	327.15	3.56	-39.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[C@@H]2C[C@@H]2CC1	REAL300020206024	1	39	-1.0	-43.55	327.20	3.53	-40.02
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC=C(Br)C=N1	REAL300020206025	0	27	-1.0	-45.42	292.46	0.10	-45.32
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC=C(Br)C=N1	REAL300020206025	1	27	-1.0	-45.43	292.41	0.13	-45.30
COC(=O)C1=CC=CN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1=O	REAL300020206026	0	38	-1.0	-56.42	359.94	2.87	-53.55
COC(=O)C1=CC=CN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1=O	REAL300020206026	1	38	-1.0	-56.35	359.99	2.84	-53.51
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCN(CC(F)(F)F)C1=O	REAL300020206027	0	39	-1.0	-51.79	354.45	1.93	-49.86
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCN(CC(F)(F)F)C1=O	REAL300020206027	1	39	-1.0	-51.72	354.51	1.90	-49.82
O=CC1=CNC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C12	REAL300020206028	0	35	-1.0	-49.55	333.30	1.86	-47.69
O=CC1=CNC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C12	REAL300020206028	1	35	-1.0	-49.49	333.35	1.84	-47.65
COC(=O)C1=CC(F)=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206029	0	35	-1.0	-46.29	339.38	2.79	-43.50
COC(=O)C1=CC(F)=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206029	1	35	-1.0	-46.23	339.43	2.77	-43.46
O=CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020206030	0	30	-1.0	-50.56	298.80	0.04	-50.52
O=CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020206030	1	30	-1.0	-50.58	298.74	0.07	-50.51
CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C=O	REAL300020206031	0	32	-1.0	-47.48	307.10	1.22	-46.26
CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C=O	REAL300020206031	1	32	-1.0	-47.45	307.15	1.19	-46.26
O=CC1=CC=CN1C1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020206032	0	42	-1.0	-48.92	388.91	5.19	-43.73
O=CC1=CC=CN1C1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020206032	1	42	-1.0	-48.81	388.96	5.16	-43.65
CC(C)C[NH+]1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020206033	0	47	0.0	-65.82	379.46	4.23	-61.59
CC(C)C[NH+]1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020206033	1	47	0.0	-65.78	379.51	4.20	-61.58
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2(C1)CS(=O)(=O)C2	REAL300020206034	0	36	-1.0	-52.22	337.23	-1.22	-53.44
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2(C1)CS(=O)(=O)C2	REAL300020206034	1	36	-1.0	-52.17	337.29	-1.25	-53.42
NS(=O)(=O)C1=C(Cl)OC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206035	0	31	-1.0	-47.33	335.07	-4.44	-51.77
NS(=O)(=O)C1=C(Cl)OC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206035	1	31	-1.0	-47.30	335.12	-4.47	-51.77
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C(F)(F)CO)N=N1	REAL300020206036	0	32	-1.0	-47.81	322.87	-3.97	-51.78
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CC12CCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)(CC1)CO2	REAL300020206217	1	40	-1.0	-44.62	335.60	1.46	-43.16
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CC1CCC(C)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020206218	1	41	-1.0	-43.55	336.74	3.19	-40.36
CC(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SN=N1	REAL300020206219	0	33	-1.0	-42.85	319.85	0.57	-42.28
CC(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SN=N1	REAL300020206219	1	33	-1.0	-42.81	319.90	0.55	-42.26
COC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC([N+](=O)[O-])=C1[O-]	REAL300020206220	0	35	-2.0	-91.57	340.79	1.61	-89.96
COC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC([N+](=O)[O-])=C1[O-]	REAL300020206220	1	35	-2.0	-91.56	340.85	1.59	-89.97
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CC(C)CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)COC1	REAL300020206222	0	39	-1.0	-44.34	330.49	1.03	-43.31
CC(C)CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)COC1	REAL300020206222	1	39	-1.0	-44.31	330.54	1.00	-43.31
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COC1=C2C=CSC2=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020206225	0	36	-1.0	-47.11	341.83	2.75	-44.36
COC1=C2C=CSC2=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020206225	1	36	-1.0	-47.07	341.88	2.72	-44.35
CC1(C2=CC=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)CC1	REAL300020206226	0	39	-1.0	-44.90	344.68	4.54	-40.36
CC1(C2=CC=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)CC1	REAL300020206226	1	39	-1.0	-44.85	344.74	4.51	-40.34
CC1CCN(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)C1	REAL300020206227	0	44	-1.0	-44.42	372.88	3.05	-41.37
CC1CCN(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)C1	REAL300020206227	1	44	-1.0	-44.42	372.94	3.02	-41.40
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=CC(F)=C1	REAL300020206228	0	35	-1.0	-45.08	331.57	3.42	-41.66
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=CC(F)=C1	REAL300020206228	1	35	-1.0	-45.04	331.62	3.40	-41.64
CN1C=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1	REAL300020206229	0	31	-1.0	-54.25	298.87	-0.71	-54.96
CN1C=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1	REAL300020206229	1	31	-1.0	-54.16	298.92	-0.74	-54.90
CC1=NOC(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206230	0	34	-1.0	-47.42	321.16	1.72	-45.70
CC1=NOC(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206230	1	34	-1.0	-47.38	321.21	1.69	-45.69
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL300020206231	0	36	-1.0	-54.42	342.60	-0.05	-54.47
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL300020206231	1	36	-1.0	-54.40	342.65	-0.08	-54.48
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O=C(COCC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206235	1	39	-1.0	-48.42	376.10	4.11	-44.31
CC1(C)C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1(C)C	REAL300020206236	0	41	-1.0	-44.12	345.81	3.39	-40.73
CC1(C)C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1(C)C	REAL300020206236	1	41	-1.0	-44.04	345.87	3.37	-40.67
CC1(C)CC2(CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C2)C1	REAL300020206237	0	42	-1.0	-44.00	351.18	3.85	-40.15
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CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CN=N1	REAL300020206240	0	30	-1.0	-45.92	290.02	-0.17	-46.09
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CN=N1	REAL300020206240	1	30	-1.0	-45.85	290.07	-0.20	-46.05
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CCC[C@H](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)NC(=O)OC(C)(C)C	REAL300020206256	1	51	-1.0	-49.91	424.08	2.05	-47.86
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CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206257	1	49	-1.0	-44.97	407.14	2.70	-42.27
CCC[C@@H](CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)NC(=O)OC(C)(C)C	REAL300020206258	0	51	-1.0	-49.06	424.03	2.07	-46.99
CCC[C@@H](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)NC(=O)OC(C)(C)C	REAL300020206258	1	51	-1.0	-49.09	424.08	2.05	-47.04
NC1=CC(F)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1Cl	REAL300020206259	0	31	-1.0	-46.59	312.05	0.61	-45.98
NC1=CC(F)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1Cl	REAL300020206259	1	31	-1.0	-46.51	312.10	0.58	-45.93
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)C([O-])=C1	REAL300020206261	1	29	-2.0	-93.34	291.92	0.01	-93.33
C[NH+](C)CC(O)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206262	0	38	0.0	-69.77	331.02	-0.47	-70.24
C[NH+](C)CC(O)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206262	1	38	0.0	-69.73	331.07	-0.49	-70.22
CCOC(=O)C1CC12CC(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)C2	REAL300020206263	0	42	-1.0	-48.10	376.92	3.97	-44.13
CCOC(=O)C1CC12CC(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)C2	REAL300020206263	1	42	-1.0	-48.06	376.97	3.94	-44.12
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C(O)=C1	REAL300020206264	1	30	-1.0	-45.07	305.29	-0.26	-45.33
CN1C=CC2=C1C=C(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)N2	REAL300020206265	0	34	-1.0	-47.82	319.14	1.55	-46.27
CN1C=CC2=C1C=C(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)N2	REAL300020206265	1	34	-1.0	-47.78	319.20	1.53	-46.25
COC(=O)C1=CC=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1	REAL300020206266	0	39	-1.0	-47.94	365.93	1.83	-46.11
COC(=O)C1=CC=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1	REAL300020206266	1	39	-1.0	-47.89	365.98	1.80	-46.09
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300020206267	0	31	-1.0	-42.79	324.34	1.44	-41.35
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300020206267	1	31	-1.0	-42.84	324.29	1.47	-41.37
CC#CCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206268	0	47	-1.0	-47.43	404.85	1.59	-45.84
CC#CCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206268	1	47	-1.0	-47.42	404.76	1.56	-45.86
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)C2	REAL300020206269	0	47	-1.0	-50.83	394.81	3.33	-47.50
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)C2	REAL300020206269	1	47	-1.0	-50.79	394.87	3.30	-47.49
CCOC1(OCC)CC(C)(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020206270	0	46	-1.0	-45.80	390.42	3.23	-42.57
CCOC1(OCC)CC(C)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020206270	1	46	-1.0	-45.78	390.47	3.20	-42.58
COC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC(Cl)=C1Cl	REAL300020206271	0	30	-1.0	-42.85	333.15	2.53	-40.32
COC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC(Cl)=C1Cl	REAL300020206271	1	30	-1.0	-42.82	333.20	2.50	-40.32
COCC1CCN(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)C1	REAL300020206272	0	48	-1.0	-44.57	409.52	2.25	-42.32
COCC1CCN(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)C1	REAL300020206272	1	48	-1.0	-44.52	409.57	2.21	-42.31
C[C@@H](C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C=NN=N1	REAL300020206273	0	30	-1.0	-49.82	290.31	-0.33	-50.15
C[C@@H](C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C=NN=N1	REAL300020206273	1	30	-1.0	-49.89	290.26	-0.30	-50.19
O=C(CC(C(F)F)N1C=CC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206274	0	35	-1.0	-48.18	329.61	1.60	-46.58
O=C(CC(C(F)F)N1C=CC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206274	1	35	-1.0	-48.18	329.56	1.63	-46.55
NC1=NC2=C(N=CN2CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)N1	REAL300020206275	0	36	-1.0	-60.96	345.19	0.94	-60.02
NC1=NC2=C(N=CN2CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)N1	REAL300020206275	1	36	-1.0	-60.91	345.24	0.91	-60.00
CC(C)[C@H](NC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206276	0	43	-1.0	-42.94	373.01	3.32	-39.62
CC(C)[C@H](NC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206276	1	43	-1.0	-42.94	373.06	3.29	-39.65
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COC1=CC=CC(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206279	0	36	-1.0	-47.20	330.66	1.80	-45.40
COC1=CC=CC(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206279	1	36	-1.0	-47.16	330.71	1.77	-45.39
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC(F)(F)C1	REAL300020206280	0	35	-1.0	-46.43	316.96	2.34	-44.09
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC(F)(F)C1	REAL300020206280	1	35	-1.0	-46.34	317.01	2.31	-44.03
C#CCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC=CCC1	REAL300020206281	0	38	-1.0	-46.50	336.60	3.68	-42.82
C#CCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC=CCC1	REAL300020206281	1	38	-1.0	-46.48	336.65	3.65	-42.83
CC(C)C1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206282	0	38	-1.0	-43.43	346.96	4.46	-38.97
CC(C)C1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206282	1	38	-1.0	-43.40	347.01	4.43	-38.97
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CCC(C)(COCC1=CC=CC=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206284	0	48	-1.0	-43.97	410.55	4.70	-39.27
CCC(C)(COCC1=CC=CC=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206284	1	48	-1.0	-43.93	410.61	4.67	-39.26
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CC1CN2N=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2C(=O)N1	REAL300020206287	0	37	-1.0	-52.53	342.69	-1.88	-54.41
CC1CN2N=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2C(=O)N1	REAL300020206287	1	37	-1.0	-52.57	342.63	-1.85	-54.42
NC(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=N1	REAL300020206288	0	32	-1.0	-49.69	310.40	-2.88	-52.57
NC(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=N1	REAL300020206288	1	32	-1.0	-49.70	310.35	-2.85	-52.55
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2CCOCC2)CC1	REAL300020206289	0	40	-1.0	-44.54	337.05	1.70	-42.84
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2CCOCC2)CC1	REAL300020206289	1	40	-1.0	-44.48	337.10	1.67	-42.81
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC2CCC(C1)S2	REAL300020206290	0	40	-1.0	-44.95	333.45	3.37	-41.58
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC2CCC(C1)S2	REAL300020206290	1	40	-1.0	-44.92	333.50	3.34	-41.58
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC2CCC(C1)S2(=O)=O	REAL300020206291	0	42	-1.0	-56.17	350.00	-0.27	-56.44
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC2CCC(C1)S2(=O)=O	REAL300020206291	1	42	-1.0	-56.17	350.06	-0.30	-56.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1CCO[C@H]1C(F)(F)F	REAL300020206292	0	33	-1.0	-43.07	316.32	0.18	-42.89
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1CCO[C@H]1C(F)(F)F	REAL300020206292	1	33	-1.0	-43.04	316.37	0.15	-42.89
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL300020206293	0	34	-1.0	-50.39	334.14	-0.30	-50.69
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL300020206293	1	34	-1.0	-50.38	334.20	-0.33	-50.71
COC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC([N+](=O)[O-])=C1Cl	REAL300020206294	0	35	-1.0	-46.17	347.57	2.44	-43.73
COC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC([N+](=O)[O-])=C1Cl	REAL300020206294	1	35	-1.0	-46.12	347.62	2.41	-43.71
O=C(CC(C(F)F)N1C=CN=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206295	0	35	-1.0	-49.21	330.59	2.83	-46.38
O=C(CC(C(F)F)N1C=CN=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206295	1	35	-1.0	-49.15	330.65	2.80	-46.35
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2N=C(C3CCCO3)OC2=C1	REAL300020206296	0	42	-1.0	-48.57	378.67	-0.03	-48.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2N=C(C3CCCO3)OC2=C1	REAL300020206296	1	42	-1.0	-48.56	378.72	-0.05	-48.61
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2=CC=CS2)=NO1	REAL300020206297	0	35	-1.0	-47.57	351.37	2.94	-44.63
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2=CC=CS2)=NO1	REAL300020206297	1	35	-1.0	-47.61	351.32	2.97	-44.64
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(O)CC1=CC(Cl)=CC(Cl)=C1	REAL300020206298	0	36	-1.0	-46.09	367.44	2.49	-43.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(O)CC1=CC(Cl)=CC(Cl)=C1	REAL300020206298	1	36	-1.0	-46.07	367.49	2.46	-43.61
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(O)C1=CC=CC2=C1OCC2	REAL300020206299	0	38	-1.0	-46.27	342.33	0.93	-45.34
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(O)C1=CC=CC2=C1OCC2	REAL300020206299	1	38	-1.0	-46.19	342.38	0.90	-45.29
O=C(CC(O)C1CCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206300	0	39	-1.0	-46.29	334.30	1.03	-45.26
O=C(CC(O)C1CCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206300	1	39	-1.0	-46.33	334.35	1.01	-45.32
NC(=O)C1=CC=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206301	0	32	-1.0	-53.81	310.40	-2.90	-56.71
NC(=O)C1=CC=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206301	1	32	-1.0	-53.80	310.35	-2.87	-56.67
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)C2=CC=CN=C12	REAL300020206302	0	34	-1.0	-49.29	322.96	2.90	-46.39
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(F)C2=CC=CN=C12	REAL300020206302	1	34	-1.0	-49.41	322.90	2.93	-46.48
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(CC(F)(F)F)C=C1	REAL300020206303	0	32	-1.0	-53.14	323.17	1.17	-51.97
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(CC(F)(F)F)C=C1	REAL300020206303	1	32	-1.0	-53.13	323.12	1.19	-51.94
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1	REAL300020206304	0	40	-1.0	-46.86	369.99	3.67	-43.19
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1	REAL300020206304	1	40	-1.0	-46.83	370.05	3.65	-43.18
CC1(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020206305	0	39	-1.0	-46.44	336.43	2.52	-43.92
CC1(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020206305	1	39	-1.0	-46.43	336.48	2.50	-43.93
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC=C(Cl)C=C1Cl	REAL300020206306	0	28	-1.0	-43.44	304.78	1.33	-42.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC=C(Cl)C=C1Cl	REAL300020206306	1	28	-1.0	-43.46	304.73	1.36	-42.10
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=CC=CC=C2C=N1	REAL300020206307	0	34	-1.0	-47.86	321.68	2.60	-45.26
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=CC=CC=C2C=N1	REAL300020206307	1	34	-1.0	-47.90	321.62	2.63	-45.27
O=C(CCC1CC(F)(F)C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206308	0	35	-1.0	-45.51	325.80	2.78	-42.73
O=C(CCC1CC(F)(F)C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206308	1	35	-1.0	-45.44	325.85	2.75	-42.69
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1COC2=CC(Cl)=CC=C2C1	REAL300020206309	0	37	-1.0	-44.17	349.45	3.12	-41.05
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1COC2=CC(Cl)=CC=C2C1	REAL300020206309	1	37	-1.0	-44.13	349.51	3.10	-41.03
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1F	REAL300020206310	0	31	-1.0	-47.23	302.26	0.89	-46.34
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1F	REAL300020206310	1	31	-1.0	-47.29	302.20	0.91	-46.38
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1[C@H]2CCCO[C@H]21	REAL300020206311	0	34	-1.0	-43.65	304.87	0.59	-43.06
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1[C@H]2CCCO[C@H]21	REAL300020206311	1	34	-1.0	-43.61	304.92	0.57	-43.04
CC1(C)CC1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206312	0	38	-1.0	-43.81	335.96	3.24	-40.57
CC1(C)CC1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206312	1	38	-1.0	-43.79	336.01	3.21	-40.58
O=C(COC1=CC=C(F)C=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206313	0	32	-1.0	-46.27	315.72	0.10	-46.17
O=C(COC1=CC=C(F)C=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206313	1	32	-1.0	-46.34	315.67	0.13	-46.21
CC1(C)COCC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020206314	0	40	-1.0	-48.02	345.25	1.03	-46.99
CC1(C)COCC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020206314	1	40	-1.0	-47.96	345.30	1.00	-46.96
CC1(C)CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCO1	REAL300020206315	0	39	-1.0	-44.88	329.85	1.04	-43.84
CC1(C)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCO1	REAL300020206315	1	39	-1.0	-44.88	329.90	1.01	-43.87
CN1C=C(C2=NOC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C2)C=N1	REAL300020206316	0	37	-1.0	-53.72	350.78	1.28	-52.44
CN1C=C(C2=NOC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C2)C=N1	REAL300020206316	1	37	-1.0	-53.79	350.72	1.31	-52.48
O=C(CCCCC(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206317	0	34	-1.0	-44.98	325.45	2.48	-42.50
O=C(CCCCC(F)(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206317	1	34	-1.0	-44.92	325.50	2.45	-42.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@H]1C[C@@H](OC(F)F)C1	REAL300020206318	0	33	-1.0	-45.80	315.07	0.37	-45.43
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@H]1C[C@@H](OC(F)F)C1	REAL300020206318	1	33	-1.0	-45.74	315.13	0.35	-45.39
CN1N=CC=C1C(F)(F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206319	0	32	-1.0	-44.15	313.06	0.24	-43.91
CN1N=CC=C1C(F)(F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206319	1	32	-1.0	-44.24	313.01	0.27	-43.97
COC1=CC=C(C(F)(F)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020206320	0	35	-1.0	-43.58	339.66	-0.51	-44.09
COC1=CC=C(C(F)(F)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020206320	1	35	-1.0	-43.62	339.61	-0.48	-44.10
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CSC=N1	REAL300020206321	0	28	-1.0	-46.38	296.40	0.47	-45.91
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CSC=N1	REAL300020206321	1	28	-1.0	-46.36	296.35	0.50	-45.86
CC(C)(C)C1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020206322	0	40	-1.0	-46.54	354.74	2.90	-43.64
CC(C)(C)C1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020206322	1	40	-1.0	-46.59	354.68	2.93	-43.66
COC1=CC=CC=C1C1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020206323	0	39	-1.0	-47.87	372.31	2.67	-45.20
COC1=CC=CC=C1C1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020206323	1	39	-1.0	-47.86	372.26	2.69	-45.17
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300020206324	0	36	-1.0	-43.36	330.48	3.42	-39.94
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300020206324	1	36	-1.0	-43.32	330.54	3.39	-39.93
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2N(CCNS2(=O)=O)N=C1	REAL300020206325	0	35	-1.0	-57.97	335.90	-4.52	-62.49
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2N(CCNS2(=O)=O)N=C1	REAL300020206325	1	35	-1.0	-57.98	335.84	-4.49	-62.47
CC(C)(C)N1N=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206326	0	38	-1.0	-43.60	329.16	1.70	-41.90
CC(C)(C)N1N=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206326	1	38	-1.0	-43.63	329.11	1.73	-41.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1CCC[C@H]1C1CC1	REAL300020206327	0	39	-1.0	-43.66	334.30	3.66	-40.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1CCC[C@H]1C1CC1	REAL300020206327	1	39	-1.0	-43.66	334.35	3.63	-40.03
CC1=NC2=C(CCCC2CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020206328	0	41	-1.0	-51.26	357.07	1.52	-49.74
CC1=NC2=C(CCCC2CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020206328	1	41	-1.0	-51.26	357.12	1.49	-49.77
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206329	0	40	-1.0	-51.62	366.27	0.56	-51.06
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206329	1	40	-1.0	-51.65	366.33	0.54	-51.11
CCCCCC1=CC=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206330	0	47	-1.0	-45.43	410.22	6.52	-38.91
CCCCCC1=CC=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206330	1	47	-1.0	-45.38	410.27	6.49	-38.89
COC1CCCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206331	0	36	-1.0	-46.52	318.14	0.79	-45.73
COC1CCCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206331	1	36	-1.0	-46.44	318.19	0.76	-45.68
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2CCCC21	REAL300020206332	0	36	-1.0	-44.00	312.20	2.77	-41.23
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2CCCC21	REAL300020206332	1	36	-1.0	-43.96	312.25	2.74	-41.22
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1COC2=C(F)C=C(F)C=C2C1	REAL300020206333	0	37	-1.0	-44.75	345.29	2.74	-42.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1COC2=C(F)C=C(F)C=C2C1	REAL300020206333	1	37	-1.0	-44.71	345.33	2.71	-42.00
COC(=O)[C@H]1C[C@@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020206334	0	35	-1.0	-50.32	324.34	1.69	-48.63
COC(=O)[C@H]1C[C@@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020206334	1	35	-1.0	-50.27	324.39	1.66	-48.61
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206335	0	44	-1.0	-49.92	388.36	3.95	-45.97
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206335	1	44	-1.0	-49.84	388.42	3.92	-45.92
CCCCC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020206336	0	37	-1.0	-44.83	351.05	2.25	-42.58
CCCCC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020206336	1	37	-1.0	-44.81	351.10	2.22	-42.59
CC(C)(C)OCC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020206337	0	41	-1.0	-45.37	377.14	1.07	-44.30
CC(C)(C)OCC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020206337	1	41	-1.0	-45.33	377.19	1.04	-44.29
CCC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020206338	0	31	-1.0	-46.00	308.89	0.52	-45.48
CCC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020206338	1	31	-1.0	-46.01	308.94	0.49	-45.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NNC=C1C1CC1	REAL300020206339	0	33	-1.0	-48.32	309.32	0.63	-47.69
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NNC=C1C1CC1	REAL300020206339	1	33	-1.0	-48.23	309.38	0.61	-47.62
CC1=C2NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=CC=C1[N+](=O)[O-]	REAL300020206340	0	38	-1.0	-45.99	357.99	3.29	-42.70
CC1=C2NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=CC=C1[N+](=O)[O-]	REAL300020206340	1	38	-1.0	-45.96	358.05	3.26	-42.70
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CC(=O)N1CSC[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206343	1	34	-1.0	-53.42	321.51	1.42	-52.00
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CC1(C)CCC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020206345	1	39	-1.0	-43.67	330.18	3.21	-40.46
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COCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCCO1	REAL300020206346	1	40	-1.0	-44.86	342.54	0.44	-44.42
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CN(C)C1=C2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)SC2=CC=C1	REAL300020206349	1	40	-1.0	-46.12	371.68	2.92	-43.20
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COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=N1	REAL300020206352	0	32	-1.0	-45.44	318.04	-0.80	-46.24
COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Cl)=N1	REAL300020206352	1	32	-1.0	-45.45	317.98	-0.78	-46.23
CCC1=NC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=CNC2=N1	REAL300020206353	0	37	-1.0	-63.34	341.05	1.82	-61.52
CCC1=NC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=CNC2=N1	REAL300020206353	1	37	-1.0	-63.32	341.10	1.79	-61.53
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CN1C=C([C@@H]2OCC[C@H]2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020206366	0	40	-1.0	-46.97	359.80	0.65	-46.32
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CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206368	1	43	-1.0	-44.93	364.98	1.49	-43.44
CN1N=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C1=CC=C(F)C=C1	REAL300020206369	0	39	-1.0	-47.80	363.29	3.09	-44.71
CN1N=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C1=CC=C(F)C=C1	REAL300020206369	1	39	-1.0	-47.85	363.24	3.12	-44.73
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COC1=CC=C(N2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N=N2)C=C1	REAL300020206371	0	39	-1.0	-49.14	365.04	1.02	-48.12
COC1=CC=C(N2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N=N2)C=C1	REAL300020206371	1	39	-1.0	-49.14	364.99	1.05	-48.09
CC(C)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C(C)C)O1	REAL300020206372	0	44	-1.0	-44.11	385.52	4.48	-39.63
CC(C)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C(C)C)O1	REAL300020206372	1	44	-1.0	-44.04	385.58	4.46	-39.58
COC1=CC=C(C=C(C#N)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC	REAL300020206373	0	42	-1.0	-49.19	386.96	2.56	-46.63
COC1=CC=C(C=C(C#N)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC	REAL300020206373	1	42	-1.0	-49.10	387.01	2.53	-46.57
O=C(CN1N=NN=C1C1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206374	0	37	-1.0	-49.46	346.47	1.63	-47.83
O=C(CN1N=NN=C1C1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206374	1	37	-1.0	-49.39	346.53	1.60	-47.79
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2CC2)O1	REAL300020206375	0	33	-1.0	-44.96	315.85	2.49	-42.47
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2CC2)O1	REAL300020206375	1	33	-1.0	-44.97	315.90	2.46	-42.51
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL300020206376	0	36	-1.0	-49.20	343.44	1.51	-47.69
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL300020206376	1	36	-1.0	-49.13	343.49	1.48	-47.65
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)O2)N1	REAL300020206377	0	36	-1.0	-46.91	350.52	0.74	-46.17
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)O2)N1	REAL300020206377	1	36	-1.0	-46.86	350.58	0.71	-46.15
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)O2)[N-]1	REAL300020206377	1	35	-2.0	-86.65	347.10	0.31	-86.34
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)O2)[N-]1	REAL300020206377	1	35	-2.0	-86.63	347.15	0.28	-86.35
COC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1	REAL300020206378	0	39	-1.0	-47.13	349.08	2.53	-44.60
COC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1	REAL300020206378	1	39	-1.0	-47.08	349.13	2.50	-44.58
CN1N=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C(F)F	REAL300020206379	0	32	-1.0	-48.07	313.03	0.49	-47.58
CN1N=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C(F)F	REAL300020206379	1	32	-1.0	-48.03	313.09	0.47	-47.56
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)C(C(F)F)=C1	REAL300020206381	1	32	-1.0	-45.20	317.42	2.99	-42.21
CS(=O)(=O)C1=CC=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020206382	0	41	-1.0	-52.76	384.92	1.08	-51.68
CS(=O)(=O)C1=CC=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020206382	1	41	-1.0	-52.76	384.97	1.05	-51.71
CC(C)CC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020206383	0	37	-1.0	-44.88	347.70	2.15	-42.73
CC(C)CC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020206383	1	37	-1.0	-44.86	347.75	2.12	-42.74
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206384	0	44	-1.0	-50.78	374.27	3.78	-47.00
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206384	1	44	-1.0	-50.75	374.33	3.75	-47.00
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C2CCCC(=O)C2=C1	REAL300020206385	0	37	-1.0	-49.18	338.46	1.85	-47.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C2CCCC(=O)C2=C1	REAL300020206385	1	37	-1.0	-49.17	338.51	1.83	-47.34
O=CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CO1	REAL300020206386	0	28	-1.0	-49.16	284.86	-0.15	-49.31
O=CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CO1	REAL300020206386	1	28	-1.0	-49.13	284.91	-0.18	-49.31
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C2SCCN12	REAL300020206387	0	31	-1.0	-46.40	303.47	1.18	-45.22
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C2SCCN12	REAL300020206387	1	31	-1.0	-46.47	303.41	1.21	-45.26
CN1N=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1S(N)(=O)=O	REAL300020206388	0	34	-1.0	-52.46	327.54	-4.05	-56.51
CN1N=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1S(N)(=O)=O	REAL300020206388	1	34	-1.0	-52.55	327.48	-4.02	-56.57
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C(F)F)C(F)=C1	REAL300020206389	0	32	-1.0	-43.50	317.38	3.02	-40.48
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C(F)F)C(F)=C1	REAL300020206389	1	32	-1.0	-43.48	317.43	2.99	-40.49
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC(C2CCCCC2)=C1	REAL300020206390	0	42	-1.0	-44.05	374.33	5.05	-39.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC(C2CCCCC2)=C1	REAL300020206390	1	42	-1.0	-44.06	374.39	5.01	-39.05
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	REAL300020206391	0	37	-1.0	-44.11	318.05	3.36	-40.75
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	REAL300020206391	1	37	-1.0	-44.09	318.10	3.34	-40.75
CC(C)(C)CC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020206392	0	40	-1.0	-44.92	362.96	2.50	-42.42
CC(C)(C)CC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020206392	1	40	-1.0	-44.91	363.01	2.47	-42.44
CC1CC2CC2CC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206393	0	39	-1.0	-43.22	330.87	3.33	-39.89
CC1CC2CC2CC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206393	1	39	-1.0	-43.19	330.92	3.30	-39.89
CCCC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206394	0	38	-1.0	-44.01	334.00	4.24	-39.77
CCCC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206394	1	38	-1.0	-43.95	334.05	4.21	-39.74
COC(=O)C1=CC=C(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206395	0	38	-1.0	-48.72	349.02	3.40	-45.32
COC(=O)C1=CC=C(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206395	1	38	-1.0	-48.71	349.08	3.37	-45.34
COC12CCC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)(CC1)CC2	REAL300020206396	0	43	-1.0	-43.40	349.08	1.85	-41.55
COC12CCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)(CC1)CC2	REAL300020206396	1	43	-1.0	-43.32	349.13	1.83	-41.49
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206397	0	46	-1.0	-44.82	398.22	2.05	-42.77
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206397	1	46	-1.0	-44.76	398.27	2.02	-42.74
CC(=O)N1CSC[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206398	0	34	-1.0	-48.98	319.59	1.23	-47.75
CC(=O)N1CSC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206398	1	34	-1.0	-48.99	319.64	1.20	-47.79
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC2=CC(F)=C(F)C=C2C1=O	REAL300020206399	0	35	-1.0	-56.16	339.90	2.31	-53.85
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC2=CC(F)=C(F)C=C2C1=O	REAL300020206399	1	35	-1.0	-56.14	339.95	2.29	-53.85
CN1C=CC(=O)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206400	0	32	-1.0	-60.45	302.47	1.56	-58.89
CN1C=CC(=O)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206400	1	32	-1.0	-60.40	302.52	1.53	-58.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2SC=NC2=C1	REAL300020206401	0	31	-1.0	-47.37	309.27	1.42	-45.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2SC=NC2=C1	REAL300020206401	1	31	-1.0	-47.38	309.22	1.45	-45.93
O=C(CC1=NOC(C2CC2)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206402	0	35	-1.0	-49.31	330.64	2.52	-46.79
O=C(CC1=NOC(C2CC2)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206402	1	35	-1.0	-49.30	330.69	2.49	-46.81
CCC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1	REAL300020206403	0	32	-1.0	-45.49	303.57	0.08	-45.41
CCC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1	REAL300020206403	1	32	-1.0	-45.51	303.62	0.05	-45.46
O=C(C=CC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206404	0	33	-1.0	-45.06	312.75	3.25	-41.81
O=C(C=CC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206404	1	33	-1.0	-45.04	312.81	3.22	-41.82
O=C(C=CC1=CC=CC=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206405	0	33	-1.0	-46.38	327.01	3.68	-42.70
O=C(C=CC1=CC=CC=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206405	1	33	-1.0	-46.28	327.05	3.65	-42.63
O=C(C=CC1=CC=CC(F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206406	0	33	-1.0	-45.39	319.16	3.32	-42.07
O=C(C=CC1=CC=CC(F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206406	1	33	-1.0	-45.38	319.22	3.29	-42.09
O=C(C=CC1=CC=C(Br)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206407	0	30	-1.0	-44.93	317.06	2.17	-42.76
O=C(C=CC1=CC=C(Br)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206407	1	30	-1.0	-44.94	317.11	2.14	-42.80
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C2N(C)C1=O	REAL300020206408	0	41	-1.0	-48.31	366.15	3.39	-44.92
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C2N(C)C1=O	REAL300020206408	1	41	-1.0	-48.28	366.20	3.36	-44.92
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(F)=C1[O-]	REAL300020206409	0	29	-2.0	-100.68	289.71	1.68	-99.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(F)=C1[O-]	REAL300020206409	1	29	-2.0	-100.65	289.76	1.65	-99.00
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(F)=C1O	REAL300020206409	1	30	-1.0	-46.54	293.27	0.68	-45.86
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(F)=C1O	REAL300020206409	1	30	-1.0	-46.51	293.32	0.65	-45.86
CSC1=CC=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020206410	0	39	-1.0	-45.06	364.45	4.58	-40.48
CSC1=CC=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020206410	1	39	-1.0	-45.01	364.50	4.55	-40.46
CC1=NC=C([N+](=O)[O-])N1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206411	0	34	-1.0	-47.81	330.30	3.03	-44.78
CC1=NC=C([N+](=O)[O-])N1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206411	1	34	-1.0	-47.81	330.36	3.00	-44.81
CP(C)(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020206412	0	38	-1.0	-50.50	358.23	1.64	-48.86
CP(C)(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020206412	1	38	-1.0	-50.47	358.28	1.61	-48.86
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020206413	0	34	-1.0	-52.24	335.00	-2.35	-54.59
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020206413	1	34	-1.0	-52.25	334.95	-2.32	-54.57
COC1=CC(C#N)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206414	0	34	-1.0	-47.63	326.30	3.02	-44.61
COC1=CC(C#N)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206414	1	34	-1.0	-47.60	326.35	2.99	-44.61
O=CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(Cl)S1	REAL300020206415	0	28	-1.0	-46.59	306.20	1.43	-45.16
O=CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(Cl)S1	REAL300020206415	1	28	-1.0	-46.54	306.25	1.41	-45.13
COC1=CC(=O)NC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206416	0	33	-1.0	-48.73	310.17	-1.16	-49.89
COC1=CC(=O)NC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206416	1	33	-1.0	-48.67	310.22	-1.19	-49.86
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN2CCCCC(=O)C2=C1	REAL300020206417	0	38	-1.0	-48.78	346.70	1.27	-47.51
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN2CCCCC(=O)C2=C1	REAL300020206417	1	38	-1.0	-48.74	346.75	1.24	-47.50
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(N2C=CC=C2)=CC=C1Cl	REAL300020206418	0	37	-1.0	-46.30	351.57	5.37	-40.93
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(N2C=CC=C2)=CC=C1Cl	REAL300020206418	1	37	-1.0	-46.27	351.63	5.34	-40.93
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=C(F)C(F)=C2)C=C1	REAL300020206419	0	36	-1.0	-52.27	352.34	3.30	-48.97
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=C(F)C(F)=C2)C=C1	REAL300020206419	1	36	-1.0	-52.35	352.29	3.33	-49.02
CC1=CC=CC(C(=O)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206420	0	34	-1.0	-44.13	320.15	2.56	-41.57
CC1=CC=CC(C(=O)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206420	1	34	-1.0	-44.13	320.20	2.53	-41.60
CCCCS(=O)(=O)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206421	0	37	-1.0	-57.80	348.81	-0.77	-58.57
CCCCS(=O)(=O)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206421	1	37	-1.0	-57.72	348.87	-0.80	-58.52
O=C(COC1CCCCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206422	0	42	-1.0	-46.23	350.58	3.16	-43.07
O=C(COC1CCCCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206422	1	42	-1.0	-46.17	350.63	3.13	-43.04
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=C1CCCCC2	REAL300020206423	0	42	-1.0	-44.47	350.47	4.87	-39.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=C1CCCCC2	REAL300020206423	1	42	-1.0	-44.46	350.53	4.84	-39.62
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300020206424	0	39	-1.0	-43.57	323.49	3.35	-40.22
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300020206424	1	39	-1.0	-43.45	323.55	3.32	-40.13
COC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCCCC1	REAL300020206425	0	42	-1.0	-41.73	337.94	2.28	-39.45
COC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCCCC1	REAL300020206425	1	42	-1.0	-41.69	338.00	2.25	-39.44
CC(=O)NC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)C	REAL300020206426	0	41	-1.0	-43.12	343.49	0.73	-42.39
CC(=O)NC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)C	REAL300020206426	1	41	-1.0	-43.08	343.54	0.70	-42.38
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1C1CCC1	REAL300020206427	0	39	-1.0	-44.62	338.04	4.62	-40.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1C1CCC1	REAL300020206427	1	39	-1.0	-44.58	338.09	4.59	-39.99
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1N1C=CC=C1	REAL300020206428	0	37	-1.0	-47.16	338.25	5.20	-41.96
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1N1C=CC=C1	REAL300020206428	1	37	-1.0	-47.11	338.30	5.18	-41.93
CCOC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CC=C2C=C1	REAL300020206429	0	42	-1.0	-51.07	378.09	4.36	-46.71
CCOC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CC=C2C=C1	REAL300020206429	1	42	-1.0	-51.04	378.14	4.33	-46.71
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)C1=CC=CC=C1	REAL300020206430	0	41	-1.0	-46.52	356.74	4.38	-42.14
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)C1=CC=CC=C1	REAL300020206430	1	41	-1.0	-46.49	356.79	4.36	-42.13
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206431	0	46	-1.0	-45.40	399.93	-1.13	-46.53
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206431	1	46	-1.0	-45.39	399.98	-1.15	-46.54
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=CC(F)=C1[O-]	REAL300020206432	0	29	-2.0	-93.23	296.11	1.74	-91.49
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=CC(F)=C1[O-]	REAL300020206432	1	29	-2.0	-93.15	296.16	1.71	-91.44
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=CC(F)=C1O	REAL300020206432	1	30	-1.0	-44.07	299.67	0.74	-43.33
CC1(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)CC1	REAL300020206433	0	39	-1.0	-44.27	344.66	4.55	-39.72
CC1(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)CC1	REAL300020206433	1	39	-1.0	-44.19	344.71	4.52	-39.67
CC(C)CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020206434	0	38	-1.0	-44.05	351.92	3.91	-40.14
CC(C)CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020206434	1	38	-1.0	-43.98	351.97	3.89	-40.09
O=C(CCC1=CC=C2OCCCC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206435	0	43	-1.0	-45.85	377.94	4.18	-41.67
O=C(CCC1=CC=C2OCCCC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206435	1	43	-1.0	-45.80	377.99	4.15	-41.65
CC1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206436	0	39	-1.0	-47.34	357.22	3.63	-43.71
CC1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206436	1	39	-1.0	-47.30	357.27	3.60	-43.70
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C(=O)C2=CC=CC=C2)=CN1	REAL300020206437	0	39	-1.0	-52.06	363.25	3.09	-48.97
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C(=O)C2=CC=CC=C2)=CN1	REAL300020206437	1	39	-1.0	-52.03	363.30	3.06	-48.97
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206438	0	39	-1.0	-45.15	364.81	3.40	-41.75
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CC1(C)CCC2=C(C1)SC=C2C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206492	0	42	-1.0	-44.28	364.83	4.56	-39.72
CC1(C)CCC2=C(C1)SC=C2C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206492	1	42	-1.0	-44.27	364.89	4.53	-39.74
CCC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1(O)CCCCC1	REAL300020206493	0	45	-1.0	-42.83	352.79	1.68	-41.15
CCC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1(O)CCCCC1	REAL300020206493	1	45	-1.0	-42.78	352.84	1.65	-41.13
COC(=O)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)NN=C1C	REAL300020206494	0	35	-1.0	-48.96	337.26	-0.27	-49.23
COC(=O)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)NN=C1C	REAL300020206494	1	35	-1.0	-48.95	337.31	-0.30	-49.25
CC(C)C(O)C(F)(F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206495	0	35	-1.0	-43.40	319.85	-0.70	-44.10
CC(C)C(O)C(F)(F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206495	1	35	-1.0	-43.35	319.91	-0.73	-44.08
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C#CC1=CC=CC(NC(=O)CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206496	1	38	-1.0	-58.96	361.55	3.59	-55.37
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CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)COC1	REAL300020206498	0	47	-1.0	-50.20	397.07	0.03	-50.17
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)COC1	REAL300020206498	1	47	-1.0	-50.14	397.12	0.00	-50.14
C#CC1(O)CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020206499	0	32	-1.0	-46.17	307.27	-1.27	-47.44
C#CC1(O)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020206499	1	32	-1.0	-46.11	307.32	-1.29	-47.40
CC(C)(C)OC(=O)C12CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)(C1)C2	REAL300020206500	0	45	-1.0	-45.70	391.11	4.34	-41.36
CC(C)(C)OC(=O)C12CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)(C1)C2	REAL300020206500	1	45	-1.0	-45.69	391.16	4.31	-41.38
CN1N=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)(F)F)=C1Cl	REAL300020206501	0	32	-1.0	-46.15	331.96	1.19	-44.96
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CC1=CC=CN2N=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C12	REAL300020206504	0	35	-1.0	-50.13	330.53	2.34	-47.79
CC1=CC=CN2N=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C12	REAL300020206504	1	35	-1.0	-50.14	330.47	2.37	-47.77
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CN1N=CC2=NC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C21	REAL300020206506	0	34	-1.0	-46.57	322.42	0.07	-46.50
CN1N=CC2=NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C21	REAL300020206506	1	34	-1.0	-46.67	322.36	0.10	-46.57
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CC1=CC2=CC=NC=C2C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206507	1	37	-1.0	-47.44	336.07	3.17	-44.27
CC(C)(C)OCCOCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206508	0	45	-1.0	-45.29	388.13	1.17	-44.12
CC(C)(C)OCCOCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206508	1	45	-1.0	-45.25	388.19	1.15	-44.10
CC(C)C1CCC2=C(C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)S2)C1	REAL300020206509	0	45	-1.0	-43.83	389.93	5.43	-38.40
CC(C)C1CCC2=C(C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)S2)C1	REAL300020206509	1	45	-1.0	-43.82	389.98	5.40	-38.42
COC(=O)C1=CC(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CN1	REAL300020206510	0	39	-1.0	-48.78	365.90	1.96	-46.82
COC(=O)C1=CC(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CN1	REAL300020206510	1	39	-1.0	-48.80	365.95	1.94	-46.86
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC(NC2=CN=CC=N2)C1	REAL300020206511	0	45	-1.0	-47.25	381.79	1.63	-45.62
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC(NC2=CN=CC=N2)C1	REAL300020206511	1	45	-1.0	-47.30	381.74	1.66	-45.64
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(NC2=NC=CC=N2)C=C1	REAL300020206512	0	39	-1.0	-48.89	360.00	4.59	-44.30
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CN(C)C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC=N1	REAL300020206513	0	36	-1.0	-46.70	338.31	-1.05	-47.75
CN(C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC=N1	REAL300020206513	1	36	-1.0	-46.60	338.37	-1.08	-47.68
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CC1=CC(Br)=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020206515	1	34	-1.0	-47.02	339.31	2.31	-44.71
CC1(C2=NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=NO2)CC1	REAL300020206516	0	34	-1.0	-47.15	325.64	-0.31	-47.46
CC1(C2=NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=NO2)CC1	REAL300020206516	1	34	-1.0	-47.14	325.59	-0.29	-47.43
CCOCCOCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206517	0	39	-1.0	-45.45	353.83	0.03	-45.42
CCOCCOCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206517	1	39	-1.0	-45.42	353.88	0.00	-45.42
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CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206519	0	39	-1.0	-46.07	363.69	3.90	-42.17
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206519	1	39	-1.0	-46.06	363.74	3.87	-42.19
CC1=CC=CN2C(CC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CN=C12	REAL300020206520	0	38	-1.0	-53.52	350.77	3.72	-49.80
CC1=CC=CN2C(CC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CN=C12	REAL300020206520	1	38	-1.0	-53.44	350.82	3.69	-49.75
CC1(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCOCC1	REAL300020206521	0	40	-1.0	-47.29	342.60	0.76	-46.53
CC1(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCOCC1	REAL300020206521	1	40	-1.0	-47.15	342.65	0.73	-46.42
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL300020206522	0	43	-1.0	-42.44	384.50	5.35	-37.09
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL300020206522	1	43	-1.0	-42.44	384.55	5.32	-37.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(CO)C2=CC=CC=C2O1	REAL300020206523	0	36	-1.0	-49.11	338.62	-0.20	-49.31
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(CO)C2=CC=CC=C2O1	REAL300020206523	1	36	-1.0	-49.03	338.68	-0.23	-49.26
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1C[C@H]1C1CCCO1	REAL300020206524	0	37	-1.0	-44.09	329.33	1.65	-42.44
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1C[C@H]1C1CCCO1	REAL300020206524	1	37	-1.0	-44.09	329.38	1.62	-42.47
CS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020206525	0	38	-1.0	-55.12	363.53	0.27	-54.85
CS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020206525	1	38	-1.0	-55.03	363.59	0.24	-54.79
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2=CC=CC=C2)=CO1	REAL300020206526	0	39	-1.0	-46.40	366.58	4.48	-41.92
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2=CC=CC=C2)=CO1	REAL300020206526	1	39	-1.0	-46.37	366.63	4.45	-41.92
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCNC(=O)C1	REAL300020206527	0	36	-1.0	-51.27	316.86	-1.33	-52.60
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCNC(=O)C1	REAL300020206527	1	36	-1.0	-51.18	316.91	-1.36	-52.54
CC1=CSC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206528	0	32	-1.0	-45.13	314.70	2.53	-42.60
CC1=CSC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206528	1	32	-1.0	-45.13	314.76	2.50	-42.63
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)C=CC=C1OCC1CC1	REAL300020206529	0	40	-1.0	-49.34	380.44	4.20	-45.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)C=CC=C1OCC1CC1	REAL300020206529	1	40	-1.0	-49.29	380.50	4.17	-45.12
CC(=O)N[C@@H](C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)(C)C	REAL300020206530	0	41	-1.0	-45.74	347.32	0.66	-45.08
CC(=O)N[C@@H](C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)(C)C	REAL300020206530	1	41	-1.0	-45.67	347.38	0.63	-45.04
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2CCCCC2)=NO1	REAL300020206531	0	44	-1.0	-45.60	385.31	4.10	-41.50
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2CCCCC2)=NO1	REAL300020206531	1	44	-1.0	-45.50	385.36	4.08	-41.42
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2CCCC2)=NO1	REAL300020206532	0	41	-1.0	-45.61	366.85	3.45	-42.16
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2CCCC2)=NO1	REAL300020206532	1	41	-1.0	-45.58	366.90	3.42	-42.16
CC(C)COC1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206533	0	42	-1.0	-46.82	385.72	5.53	-41.29
CC(C)COC1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206533	1	42	-1.0	-46.80	385.77	5.50	-41.30
CN1C=C(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CCCO2)C=N1	REAL300020206534	0	40	-1.0	-46.24	356.40	0.57	-45.67
CN1C=C(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CCCO2)C=N1	REAL300020206534	1	40	-1.0	-46.32	356.34	0.60	-45.72
O=C(CC1=CC=C2OC(=O)NC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206535	0	35	-1.0	-50.85	334.63	0.25	-50.60
O=C(CC1=CC=C2OC(=O)NC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206535	1	35	-1.0	-50.85	334.68	0.22	-50.63
O=C(C#CC1CCCOC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206536	0	35	-1.0	-44.75	324.78	1.30	-43.45
O=C(C#CC1CCCOC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206536	1	35	-1.0	-44.74	324.83	1.27	-43.47
C[N@@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020206537	0	38	0.0	-64.66	323.00	2.10	-62.56
C[N@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020206537	1	38	0.0	-60.49	316.72	2.31	-58.18
C[N@@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020206537	1	38	0.0	-64.59	323.06	2.07	-62.52
C[N@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020206537	1	38	0.0	-60.39	316.78	2.28	-58.11
C=CCCCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020206538	0	42	-1.0	-44.72	376.91	5.63	-39.09
C=CCCCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020206538	1	42	-1.0	-44.72	376.96	5.60	-39.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C(=O)N2CCCCC2)=C1	REAL300020206539	0	46	-1.0	-51.77	394.33	4.03	-47.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C(=O)N2CCCCC2)=C1	REAL300020206539	1	46	-1.0	-51.71	394.38	4.00	-47.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC2(CC2(F)F)CC1	REAL300020206540	0	39	-1.0	-48.39	340.73	3.61	-44.78
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC2(CC2(F)F)CC1	REAL300020206540	1	39	-1.0	-48.42	340.78	3.58	-44.84
O=C(CN1CCCC2(CC2)S1(=O)=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206541	0	41	-1.0	-58.37	371.44	-0.13	-58.50
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COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C	REAL300020206564	1	36	-1.0	-45.02	327.72	2.09	-42.93
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COC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CS1	REAL300020206565	1	30	-1.0	-48.14	299.44	1.43	-46.71
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COCC1(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020206571	0	42	-1.0	-42.91	352.45	1.98	-40.93
COCC1(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020206571	1	42	-1.0	-42.87	352.50	1.95	-40.92
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CC1(C)OC(=O)C2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C21	REAL300020206573	1	39	-1.0	-51.64	358.52	3.73	-47.91
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CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206576	0	46	-1.0	-49.22	398.90	-2.35	-51.57
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206576	1	46	-1.0	-49.19	398.95	-2.38	-51.57
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C#CCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCCO1	REAL300020206581	0	38	-1.0	-43.99	333.68	2.35	-41.64
C#CCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCCO1	REAL300020206581	1	38	-1.0	-43.94	333.73	2.32	-41.62
CN1N=C(C2CCOCC2)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206582	0	43	-1.0	-44.78	373.10	1.16	-43.62
CN1N=C(C2CCOCC2)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206582	1	43	-1.0	-44.78	373.15	1.13	-43.65
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206583	0	39	-1.0	-54.04	362.57	4.02	-50.02
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COC(=O)C1=CN=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C	REAL300020206585	0	37	-1.0	-45.66	338.65	1.49	-44.17
COC(=O)C1=CN=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C	REAL300020206585	1	37	-1.0	-45.59	338.71	1.46	-44.13
CCCC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)OC	REAL300020206586	0	37	-1.0	-44.10	333.77	2.12	-41.98
CCCC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)OC	REAL300020206586	1	37	-1.0	-44.06	333.82	2.10	-41.96
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NN1C1=CC=CC=C1F	REAL300020206587	0	39	-1.0	-52.41	366.51	3.81	-48.60
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1C1=CC=CC=C1F	REAL300020206587	1	39	-1.0	-52.37	366.56	3.78	-48.59
CC(=O)NC1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020206588	0	42	-1.0	-48.66	359.49	1.06	-47.60
CC(=O)NC1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020206588	1	42	-1.0	-48.61	359.54	1.03	-47.58
CN(C)C(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020206589	0	38	-1.0	-46.49	346.59	1.01	-45.48
CN(C)C(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020206589	1	38	-1.0	-46.53	346.54	1.04	-45.49
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)OC2=CC=CC=C2C1=O	REAL300020206590	0	37	-1.0	-46.15	343.47	3.00	-43.15
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)OC2=CC=CC=C2C1=O	REAL300020206590	1	37	-1.0	-46.10	343.52	2.97	-43.13
CNC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206591	0	38	-1.0	-52.09	361.97	0.10	-51.99
CNC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206591	1	38	-1.0	-52.09	362.02	0.08	-52.01
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC(F)F	REAL300020206592	0	36	-1.0	-49.13	337.50	2.37	-46.76
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COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C1	REAL300020206619	0	38	-1.0	-45.15	348.99	3.41	-41.74
COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C1	REAL300020206619	1	38	-1.0	-45.06	349.04	3.38	-41.68
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COC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=C1	REAL300020206620	1	35	-1.0	-46.34	345.50	3.20	-43.14
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CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCO1	REAL300020206621	1	39	-1.0	-46.10	330.55	1.92	-44.18
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CC1=CC(Cl)=CC(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206622	1	35	-1.0	-43.42	337.71	3.47	-39.95
CC(=O)N[C@H]1CC[C@@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020206623	0	42	-1.0	-47.93	359.49	1.06	-46.87
CC(=O)N[C@H]1CC[C@@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020206623	1	42	-1.0	-47.88	359.54	1.03	-46.85
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O=C(CON=C1CCCCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206627	1	42	-1.0	-47.55	361.76	3.40	-44.15
O=C(CC(N1CCOCC1)C(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206628	0	41	-1.0	-44.32	356.24	-0.64	-44.96
O=C(CC(N1CCOCC1)C(F)(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206628	1	41	-1.0	-44.34	356.29	-0.67	-45.01
COC(=O)C1(C)CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020206629	0	38	-1.0	-44.52	343.66	2.20	-42.32
COC(=O)C1(C)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020206629	1	38	-1.0	-44.44	343.71	2.17	-42.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2SC=CC2=NC=C1	REAL300020206630	0	31	-1.0	-46.65	308.05	1.54	-45.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2SC=CC2=NC=C1	REAL300020206630	1	31	-1.0	-46.69	308.00	1.57	-45.12
CN1CC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C2NC1=O	REAL300020206631	0	39	-1.0	-48.40	352.53	1.23	-47.17
CN1CC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C2NC1=O	REAL300020206631	1	39	-1.0	-48.34	352.58	1.20	-47.14
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CC1=C(Br)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)S1	REAL300020206633	0	32	-1.0	-44.02	334.75	2.94	-41.08
CC1=C(Br)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)S1	REAL300020206633	1	32	-1.0	-43.95	334.81	2.91	-41.04
CC(C)N1C=NN=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206634	0	37	-1.0	-55.09	338.70	2.90	-52.19
CC(C)N1C=NN=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206634	1	37	-1.0	-55.09	338.75	2.87	-52.22
C=CCC1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206635	0	36	-1.0	-44.38	325.95	4.02	-40.36
C=CCC1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206635	1	36	-1.0	-44.32	326.00	3.99	-40.33
CC1(C)C2CCC1(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)CC2	REAL300020206636	0	42	-1.0	-43.41	338.49	3.30	-40.11
CC1(C)C2CCC1(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)CC2	REAL300020206636	1	42	-1.0	-43.39	338.54	3.27	-40.12
CC(F)(F)C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCOCC1	REAL300020206637	0	39	-1.0	-42.94	332.20	1.02	-41.92
CC(F)(F)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCOCC1	REAL300020206637	1	39	-1.0	-42.93	332.25	1.00	-41.93
COC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC([N+](=O)[O-])=C1N	REAL300020206638	0	37	-1.0	-46.74	345.25	0.19	-46.55
COC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC([N+](=O)[O-])=C1N	REAL300020206638	1	37	-1.0	-46.66	345.31	0.16	-46.50
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2CCCO2)CCC1	REAL300020206639	0	40	-1.0	-43.66	343.41	1.88	-41.78
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@]12CC(=O)N[C@H]1CCCC2	REAL300020206640	0	40	-1.0	-50.92	341.23	-0.27	-51.19
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CC1=CC=CC(C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2CCCCC2)=C1	REAL300020206642	0	51	-1.0	-45.10	416.20	7.46	-37.64
CC1=CC=CC(C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2CCCCC2)=C1	REAL300020206642	1	51	-1.0	-45.07	416.26	7.43	-37.64
CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2=CC=CC(F)=C2)=N1	REAL300020206643	0	39	-1.0	-49.83	363.45	3.43	-46.40
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCN2N=CN=C2C1	REAL300020206695	1	35	-1.0	-47.34	318.53	2.03	-45.31
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206696	0	39	-1.0	-49.01	371.26	2.92	-46.09
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206696	1	39	-1.0	-49.00	371.30	2.89	-46.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=COC2=C1C(=O)NCC2	REAL300020206697	0	34	-1.0	-59.24	318.19	0.09	-59.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=COC2=C1C(=O)NCC2	REAL300020206697	1	34	-1.0	-59.15	318.24	0.06	-59.09
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL300020206698	0	36	-1.0	-45.05	352.63	4.60	-40.45
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL300020206698	1	36	-1.0	-45.04	352.68	4.57	-40.47
CN1C=CC(C2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=NO2)=N1	REAL300020206699	0	35	-1.0	-49.13	341.81	0.86	-48.27
CN1C=CC(C2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=NO2)=N1	REAL300020206699	1	35	-1.0	-49.12	341.86	0.84	-48.28
O=C(COCCC1=CC=CS1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206700	0	36	-1.0	-46.92	349.04	3.00	-43.92
O=C(COCCC1=CC=CS1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206700	1	36	-1.0	-46.91	349.09	2.98	-43.93
COC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCOC1	REAL300020206701	0	40	-1.0	-47.82	346.70	0.76	-47.06
COC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCOC1	REAL300020206701	1	40	-1.0	-47.74	346.75	0.73	-47.01
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL300020206702	0	43	-1.0	-44.63	367.69	5.50	-39.13
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL300020206702	1	43	-1.0	-44.54	367.74	5.47	-39.07
CN1C=CC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C21	REAL300020206703	0	36	-1.0	-48.27	331.84	3.83	-44.44
CN1C=CC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C21	REAL300020206703	1	36	-1.0	-48.21	331.89	3.80	-44.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)C=C2OC=CC2=C1	REAL300020206704	0	32	-1.0	-47.38	310.08	2.48	-44.90
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C=C2OC=CC2=C1	REAL300020206704	1	32	-1.0	-47.37	310.13	2.46	-44.91
CCN1N=CC(Br)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206705	0	32	-1.0	-45.79	326.94	1.15	-44.64
CCN1N=CC(Br)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206705	1	32	-1.0	-45.85	326.89	1.18	-44.67
CCN1C=C(Br)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020206706	0	32	-1.0	-48.42	324.41	1.30	-47.12
CCN1C=C(Br)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020206706	1	32	-1.0	-48.44	324.36	1.33	-47.11
CC(=O)N[C@H]1CC[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020206707	0	42	-1.0	-53.12	363.92	0.65	-52.47
CC(=O)N[C@H]1CC[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020206707	1	42	-1.0	-53.10	363.97	0.62	-52.48
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300020206708	0	36	-1.0	-47.16	352.09	3.46	-43.70
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300020206708	1	36	-1.0	-47.17	352.04	3.49	-43.68
CCC(C)(C)CCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206709	0	43	-1.0	-43.69	355.28	3.50	-40.19
CCC(C)(C)CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206709	1	43	-1.0	-43.69	355.33	3.47	-40.22
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020206710	0	39	-1.0	-44.38	352.15	4.77	-39.61
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020206710	1	39	-1.0	-44.32	352.20	4.74	-39.58
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL300020206711	0	43	-1.0	-51.04	379.21	2.46	-48.58
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL300020206711	1	43	-1.0	-51.01	379.26	2.43	-48.58
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206712	0	42	-1.0	-50.60	387.13	4.37	-46.23
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206712	1	42	-1.0	-50.66	387.08	4.40	-46.26
CC1=C(C)C2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C2N=N1	REAL300020206713	0	39	-1.0	-48.14	350.38	2.41	-45.73
CC1=C(C)C2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C2N=N1	REAL300020206713	1	39	-1.0	-48.07	350.43	2.38	-45.69
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCNS1(=O)=O	REAL300020206714	0	34	-1.0	-55.94	319.49	-3.87	-59.81
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCNS1(=O)=O	REAL300020206714	1	34	-1.0	-55.89	319.55	-3.89	-59.78
CC1OC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2C1C	REAL300020206715	0	40	-1.0	-45.33	351.61	3.17	-42.16
CC1OC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2C1C	REAL300020206715	1	40	-1.0	-45.29	351.67	3.14	-42.15
CN1C=C(C(F)(F)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CC1=O	REAL300020206716	0	35	-1.0	-47.17	334.81	1.62	-45.55
CN1C=C(C(F)(F)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CC1=O	REAL300020206716	1	35	-1.0	-47.13	334.86	1.59	-45.54
COC1=CC=C2C(CC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CNC2=C1	REAL300020206717	0	40	-1.0	-50.46	364.17	2.09	-48.37
COC1=CC=C2C(CC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CNC2=C1	REAL300020206717	1	40	-1.0	-50.41	364.22	2.06	-48.35
CCCC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)O1	REAL300020206718	0	38	-1.0	-43.97	344.78	3.22	-40.75
CCCC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)O1	REAL300020206718	1	38	-1.0	-43.97	344.83	3.19	-40.78
CN1C=CC2=CC=NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C21	REAL300020206719	0	35	-1.0	-47.20	326.86	1.56	-45.64
CN1C=CC2=CC=NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C21	REAL300020206719	1	35	-1.0	-47.18	326.81	1.59	-45.59
CC(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2=CC=CC=C2)=NO1	REAL300020206720	0	44	-1.0	-46.45	399.88	5.07	-41.38
CC(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2=CC=CC=C2)=NO1	REAL300020206720	1	44	-1.0	-46.54	399.82	5.10	-41.44
CC1=CC=CC=C1C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC1	REAL300020206721	0	48	-1.0	-43.96	395.48	6.71	-37.25
CC1=CC=CC=C1C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC1	REAL300020206721	1	48	-1.0	-43.90	395.53	6.68	-37.22
CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)OC=N1	REAL300020206722	0	31	-1.0	-45.42	296.68	-1.89	-47.31
CCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)OC=N1	REAL300020206722	1	31	-1.0	-45.37	296.73	-1.91	-47.28
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(C2CCC2)OC=N1	REAL300020206723	0	35	-1.0	-46.40	322.99	-0.45	-46.85
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(C2CCC2)OC=N1	REAL300020206723	1	35	-1.0	-46.41	322.94	-0.42	-46.83
O=C(CCC1=C2CCCCC2=NN1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206724	0	42	-1.0	-46.62	366.87	2.29	-44.33
O=C(CCC1=C2CCCCC2=NN1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206724	1	42	-1.0	-46.57	366.92	2.26	-44.31
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL300020206725	0	34	-1.0	-48.07	339.09	3.08	-44.99
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL300020206725	1	34	-1.0	-48.08	339.04	3.11	-44.97
O=C(C=CC1=CC=C(C(F)F)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206726	0	33	-1.0	-46.69	329.98	2.53	-44.16
O=C(C=CC1=CC=C(C(F)F)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206726	1	33	-1.0	-46.65	330.03	2.50	-44.15
O=C(CCC1=CC=C(Cl)N=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206727	0	34	-1.0	-46.81	336.00	2.16	-44.65
O=C(CCC1=CC=C(Cl)N=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206727	1	34	-1.0	-46.86	335.94	2.19	-44.67
CC(C)(C)C1=CN=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206728	0	40	-1.0	-44.58	349.77	2.55	-42.03
CC(C)(C)C1=CN=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206728	1	40	-1.0	-44.62	349.71	2.58	-42.04
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206729	0	36	-1.0	-43.05	338.74	2.62	-40.43
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206729	1	36	-1.0	-43.01	338.80	2.59	-40.42
O=C(C=C1CCCC(C(F)(F)F)C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206730	0	39	-1.0	-43.47	350.91	3.79	-39.68
O=C(C=C1CCCC(C(F)(F)F)C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206730	1	39	-1.0	-43.41	350.96	3.76	-39.65
O=C(C=C1C2CC3CC(C2)CC1C3)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206731	0	44	-1.0	-43.81	354.64	4.59	-39.22
O=C(C=C1C2CC3CC(C2)CC1C3)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206731	1	44	-1.0	-43.75	354.69	4.57	-39.18
CC(=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020206732	0	38	-1.0	-46.14	360.90	4.74	-41.40
CC(=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020206732	1	38	-1.0	-46.07	360.95	4.71	-41.36
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206733	0	38	-1.0	-47.26	353.56	4.50	-42.76
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206733	1	38	-1.0	-47.20	353.61	4.47	-42.73
CCCCCCCCCC=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206734	0	50	-1.0	-43.79	427.98	6.59	-37.20
CCCCCCCCCC=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206734	1	50	-1.0	-43.72	428.03	6.56	-37.16
CC1=CC(Br)=CN=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206735	0	31	-1.0	-43.48	312.85	1.59	-41.89
CC1=CC(Br)=CN=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206735	1	31	-1.0	-43.53	312.80	1.62	-41.91
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300020206736	0	38	-1.0	-45.09	357.49	4.28	-40.81
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300020206736	1	38	-1.0	-45.04	357.54	4.25	-40.79
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC12CCOCC2	REAL300020206737	0	43	-1.0	-46.29	349.02	2.01	-44.28
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC12CCOCC2	REAL300020206737	1	43	-1.0	-46.23	349.07	1.98	-44.25
COC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C(F)(F)F	REAL300020206738	0	35	-1.0	-44.41	343.00	-0.17	-44.58
COC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C(F)(F)F	REAL300020206738	1	35	-1.0	-44.43	342.95	-0.14	-44.57
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=NC=CC=C2N=C1	REAL300020206739	0	33	-1.0	-48.54	314.58	0.53	-48.01
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=NC=CC=C2N=C1	REAL300020206739	1	33	-1.0	-48.61	314.53	0.56	-48.05
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=CS1	REAL300020206740	0	28	-1.0	-46.15	282.56	-0.16	-46.31
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=CS1	REAL300020206740	1	28	-1.0	-46.14	282.50	-0.14	-46.28
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(CC2CC(=O)C2)N=N1	REAL300020206741	0	37	-1.0	-55.51	351.56	0.35	-55.16
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(CC2CC(=O)C2)N=N1	REAL300020206741	1	37	-1.0	-55.53	351.51	0.38	-55.15
CC1(C)CC(C)(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020206742	0	38	-1.0	-43.40	321.62	2.59	-40.81
CC1(C)CC(C)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020206742	1	38	-1.0	-43.42	321.68	2.57	-40.85
CC(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N(C)N=C1	REAL300020206743	0	38	-1.0	-45.81	346.47	1.65	-44.16
CC(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N(C)N=C1	REAL300020206743	1	38	-1.0	-45.91	346.41	1.68	-44.23
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL300020206744	0	34	-1.0	-51.34	337.08	1.62	-49.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL300020206744	1	34	-1.0	-51.26	337.13	1.58	-49.68
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC2=NC=CN12	REAL300020206745	0	29	-1.0	-45.49	291.97	1.69	-43.80
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC2=NC=CN12	REAL300020206745	1	29	-1.0	-45.55	291.92	1.72	-43.83
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CC1CC(=O)NC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206898	0	33	-1.0	-48.03	305.64	-1.75	-49.78
CC1CC(=O)NC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206898	1	33	-1.0	-47.98	305.70	-1.77	-49.75
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COCC1=NOC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206903	0	32	-1.0	-44.36	311.79	-0.82	-45.18
COCC1=NOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206903	1	32	-1.0	-44.31	311.84	-0.85	-45.16
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COCC1(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCOCC1	REAL300020206913	1	43	-1.0	-42.93	354.22	0.04	-42.89
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CCC1(CC)CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020206922	0	41	-1.0	-43.28	342.98	3.28	-40.00
CCC1(CC)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020206922	1	41	-1.0	-43.26	343.03	3.25	-40.01
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CCC(C)C(=O)N1CSC[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206924	1	43	-1.0	-51.07	373.26	3.34	-47.73
CC(C)(C)C1=NOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206925	0	37	-1.0	-44.15	339.55	1.92	-42.23
CC(C)(C)C1=NOC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206925	1	37	-1.0	-44.20	339.50	1.95	-42.25
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CC1=NC2=NC=NN2C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206928	1	33	-1.0	-50.13	314.89	3.97	-46.16
CC1(C)[C@@H]2C[C@@H](C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C[C@@H]21	REAL300020206929	0	39	-1.0	-44.91	331.37	3.34	-41.57
CC1(C)[C@@H]2C[C@@H](C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C[C@@H]21	REAL300020206929	1	39	-1.0	-44.86	331.42	3.31	-41.55
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CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC(=O)C1	REAL300020206979	0	34	-1.0	-50.96	306.31	1.33	-49.63
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC(=O)C1	REAL300020206979	1	34	-1.0	-50.91	306.36	1.30	-49.61
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COCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC=CC1	REAL300020207005	0	37	-1.0	-43.83	326.95	1.76	-42.07
COCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC=CC1	REAL300020207005	1	37	-1.0	-43.80	327.01	1.73	-42.07
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CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)=C2	REAL300020207006	1	45	-1.0	-52.47	379.01	2.57	-49.90
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CCCC(CC)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207010	1	40	-1.0	-43.41	334.92	3.03	-40.38
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COC(=O)CCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020207019	1	41	-1.0	-47.30	376.61	4.29	-43.01
CC(C)=CCC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1F	REAL300020207020	0	42	-1.0	-43.73	378.26	5.51	-38.22
CC(C)=CCC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1F	REAL300020207020	1	42	-1.0	-43.71	378.31	5.47	-38.24
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O=C(CC1=CC2=CC=CC=C2N=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207023	1	37	-1.0	-49.46	344.02	3.10	-46.36
COC1(C(F)(F)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCOCC1	REAL300020207024	0	40	-1.0	-43.06	343.82	0.75	-42.31
COC1(C(F)(F)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCOCC1	REAL300020207024	1	40	-1.0	-43.02	343.87	0.73	-42.29
CC(C)(C)C1=NN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1	REAL300020207025	0	39	-1.0	-51.29	356.94	0.35	-50.94
CC(C)(C)C1=NN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1	REAL300020207025	1	39	-1.0	-51.33	356.89	0.38	-50.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1C(F)(F)C12CC2	REAL300020207026	0	30	-1.0	-43.72	298.79	2.16	-41.56
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300020207027	0	40	-1.0	-45.10	372.71	5.14	-39.96
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300020207027	1	40	-1.0	-45.07	372.76	5.12	-39.95
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2CC2(F)F)C=C1	REAL300020207029	0	33	-1.0	-51.91	326.73	1.53	-50.38
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2CC2(F)F)C=C1	REAL300020207029	1	33	-1.0	-51.92	326.68	1.56	-50.36
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)C1=CC=C(F)C=C1	REAL300020207030	0	32	-1.0	-46.40	312.97	2.84	-43.56
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)C1=CC=C(F)C=C1	REAL300020207030	1	32	-1.0	-46.42	313.02	2.81	-43.61
C=CCOC(=O)NCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207031	0	34	-1.0	-45.68	327.09	-1.64	-47.32
C=CCOC(=O)NCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207031	1	34	-1.0	-45.66	327.14	-1.67	-47.33
COC1=NC=CC(Br)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207032	0	32	-1.0	-47.27	329.01	-0.82	-48.09
COC1=NC=CC(Br)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207032	1	32	-1.0	-47.33	328.96	-0.79	-48.12
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CCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1Br	REAL300020207034	0	35	-1.0	-43.98	337.17	3.94	-40.04
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COCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)OC=C1	REAL300020207036	0	33	-1.0	-45.30	314.69	-0.12	-45.42
COCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)OC=C1	REAL300020207036	1	33	-1.0	-45.30	314.74	-0.14	-45.44
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CCN1C=C(OC2=CN=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=N2)C=N1	REAL300020207039	0	41	-1.0	-48.57	380.52	0.03	-48.54
CCN1C=C(OC2=CN=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=N2)C=N1	REAL300020207039	1	41	-1.0	-48.64	380.46	0.06	-48.58
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COC1=CN=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020207049	0	32	-1.0	-45.84	302.82	-0.48	-46.32
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CC(C)(C)OC(=O)NCCSCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207103	1	46	-1.0	-50.49	413.92	0.85	-49.64
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(O)C1=CC=C(F)C(F)=C1	REAL300020207106	1	33	-1.0	-45.64	323.18	0.91	-44.73
NC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NN1CCO	REAL300020207107	0	35	-1.0	-46.95	326.57	-3.73	-50.68
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CCC1=NC(N)=NC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207108	1	35	-1.0	-44.54	318.69	0.76	-43.78
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NC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1Cl	REAL300020207110	0	33	-1.0	-50.15	325.19	-0.63	-50.78
NC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1Cl	REAL300020207110	1	33	-1.0	-50.07	325.24	-0.66	-50.73
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COC1=NC2=CC=CC=C2C=C1C=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207112	0	42	-1.0	-49.39	385.05	2.23	-47.16
COC1=NC2=CC=CC=C2C=C1C=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207112	1	42	-1.0	-49.33	385.11	2.20	-47.13
CN1C=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)N(C)C1=O	REAL300020207113	0	39	-1.0	-55.81	358.59	1.62	-54.19
CN1C=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)N(C)C1=O	REAL300020207113	1	39	-1.0	-55.76	358.64	1.59	-54.17
CCN1C=C(Cl)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020207114	0	32	-1.0	-48.73	320.30	1.19	-47.54
CCN1C=C(Cl)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020207114	1	32	-1.0	-48.78	320.25	1.22	-47.56
CN1N=CC=C1C1=NNC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207115	0	36	-1.0	-51.41	340.47	-0.30	-51.71
CN1N=CC=C1C1=NNC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207115	1	36	-1.0	-51.40	340.52	-0.33	-51.73
CC1(C)OC[C@@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020207116	0	34	-1.0	-45.69	312.21	0.11	-45.58
CC1(C)OC[C@@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020207116	1	34	-1.0	-45.63	312.26	0.08	-45.55
COC1=NC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1Br	REAL300020207117	0	32	-1.0	-46.18	321.25	-0.59	-46.77
COC1=NC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1Br	REAL300020207117	1	32	-1.0	-46.19	321.20	-0.56	-46.75
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COC1=NSC(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207119	0	33	-1.0	-45.23	332.62	-0.71	-45.94
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CC(C)C1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CO1	REAL300020207120	0	34	-1.0	-45.57	321.52	-1.24	-46.81
CC(C)C1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CO1	REAL300020207120	1	34	-1.0	-45.59	321.57	-1.27	-46.86
CC(C)CC1=NN=C2C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=CN12	REAL300020207121	0	43	-1.0	-58.31	378.76	5.22	-53.09
CC(C)CC1=NN=C2C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=CN12	REAL300020207121	1	43	-1.0	-58.23	378.81	5.19	-53.04
COC1(C(F)(F)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC1	REAL300020207122	0	36	-1.0	-43.97	324.18	1.94	-42.03
COC1(C(F)(F)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1	REAL300020207122	1	36	-1.0	-43.93	324.23	1.92	-42.01
CCC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCOCC1	REAL300020207123	0	42	-1.0	-44.65	342.60	1.76	-42.89
CCC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCOCC1	REAL300020207123	1	42	-1.0	-44.63	342.66	1.73	-42.90
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CC(C)(C)OC1CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C12CCC2	REAL300020207125	0	52	-1.0	-46.51	424.47	4.60	-41.91
CC(C)(C)OC1CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C12CCC2	REAL300020207125	1	52	-1.0	-46.48	424.52	4.58	-41.90
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CCC1=CC=CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N=C21	REAL300020207129	0	40	-1.0	-47.43	363.45	4.04	-43.39
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CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCS(=O)(=O)CC1	REAL300020207131	0	38	-1.0	-49.37	333.31	-0.99	-50.36
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCS(=O)(=O)CC1	REAL300020207131	1	38	-1.0	-49.35	333.36	-1.02	-50.37
CC(F)(F)C1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207132	0	35	-1.0	-50.81	320.34	3.53	-47.28
CC(F)(F)C1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207132	1	35	-1.0	-50.77	320.39	3.50	-47.27
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(F)CCC(F)(F)CC1	REAL300020207133	0	35	-1.0	-42.53	320.44	2.38	-40.15
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(F)CCC(F)(F)CC1	REAL300020207133	1	35	-1.0	-42.50	320.49	2.35	-40.15
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(F)CCCOC1	REAL300020207134	0	33	-1.0	-42.78	300.60	-0.07	-42.85
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(F)CCCOC1	REAL300020207134	1	33	-1.0	-42.74	300.65	-0.10	-42.84
C=CCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC=CC1	REAL300020207135	0	37	-1.0	-43.85	324.73	3.60	-40.25
C=CCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC=CC1	REAL300020207135	1	37	-1.0	-43.84	324.79	3.57	-40.27
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCN1C1CCS(=O)(=O)C1	REAL300020207136	0	44	-1.0	-52.30	379.75	-2.52	-54.82
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCN1C1CCS(=O)(=O)C1	REAL300020207136	1	44	-1.0	-52.29	379.80	-2.55	-54.84
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CON=C1C1CCC1	REAL300020207137	0	35	-1.0	-45.48	323.22	2.16	-43.32
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CON=C1C1CCC1	REAL300020207137	1	35	-1.0	-45.45	323.27	2.13	-43.32
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)CC1CCCC1	REAL300020207138	0	38	-1.0	-45.14	332.58	3.10	-42.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)CC1CCCC1	REAL300020207138	1	38	-1.0	-45.14	332.63	3.07	-42.07
CC1(C)CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1C(F)(F)F	REAL300020207139	0	38	-1.0	-45.36	341.25	2.90	-42.46
CC1(C)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1C(F)(F)F	REAL300020207139	1	38	-1.0	-45.34	341.30	2.87	-42.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2(C1)CCCO2	REAL300020207140	0	37	-1.0	-48.19	323.23	2.05	-46.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2(C1)CCCO2	REAL300020207140	1	37	-1.0	-48.12	323.28	2.02	-46.10
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC2=CC=CC=C2NC1=O	REAL300020207141	0	40	-1.0	-45.44	356.04	1.58	-43.86
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC2=CC=CC=C2NC1=O	REAL300020207141	1	40	-1.0	-45.40	356.09	1.55	-43.85
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL300020207142	0	45	-1.0	-47.39	382.13	6.04	-41.35
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL300020207142	1	45	-1.0	-47.34	382.19	6.01	-41.33
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C12CCCC1CC(=O)CC2	REAL300020207143	0	41	-1.0	-44.76	336.65	3.09	-41.67
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C12CCCC1CC(=O)CC2	REAL300020207143	1	41	-1.0	-44.74	336.70	3.07	-41.67
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2CCCO2)CC1	REAL300020207144	0	37	-1.0	-42.80	324.94	1.54	-41.26
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2CCCO2)CC1	REAL300020207144	1	37	-1.0	-42.77	324.99	1.51	-41.26
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2C(=O)NCCC2=C1	REAL300020207145	0	37	-1.0	-49.36	337.76	0.53	-48.83
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2C(=O)NCCC2=C1	REAL300020207145	1	37	-1.0	-49.35	337.81	0.50	-48.85
CC(C)N1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC1=O	REAL300020207146	0	42	-1.0	-46.31	355.47	1.83	-44.48
CC(C)N1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1=O	REAL300020207146	1	42	-1.0	-46.24	355.53	1.80	-44.44
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2CNC(=O)C2=C1	REAL300020207147	0	34	-1.0	-54.24	320.41	-0.45	-54.69
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2CNC(=O)C2=C1	REAL300020207147	1	34	-1.0	-54.20	320.46	-0.48	-54.68
CCOC(=O)C1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020207148	0	34	-1.0	-50.35	344.66	0.74	-49.61
CCOC(=O)C1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020207148	1	34	-1.0	-50.41	344.61	0.77	-49.64
NC(=O)C1=NOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020207149	0	29	-1.0	-45.34	295.76	-3.88	-49.22
NC(=O)C1=NOC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207149	1	29	-1.0	-45.37	295.71	-3.85	-49.22
C[C@@H](CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300020207150	0	41	-1.0	-44.66	376.41	4.99	-39.67
C[C@@H](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300020207150	1	41	-1.0	-44.63	376.46	4.96	-39.67
C[C@@H](CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2OCOC2=C1	REAL300020207151	0	41	-1.0	-47.83	363.70	2.64	-45.19
C[C@@H](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2OCOC2=C1	REAL300020207151	1	41	-1.0	-47.78	363.76	2.61	-45.17
O=C(CC1CCCC2(CCC2)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207152	0	43	-1.0	-46.03	362.73	3.55	-42.48
O=C(CC1CCCC2(CCC2)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207152	1	43	-1.0	-46.00	362.78	3.52	-42.48
COCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CCC1	REAL300020207153	0	37	-1.0	-44.97	327.45	1.69	-43.28
COCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CCC1	REAL300020207153	1	37	-1.0	-44.95	327.50	1.66	-43.29
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C(F)(F)F)CCCCO1	REAL300020207154	0	36	-1.0	-40.67	326.91	1.24	-39.43
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CC1=NN(C(C)C)C(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207156	0	41	-1.0	-46.26	368.05	2.34	-43.92
CC1=NN(C(C)C)C(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207156	1	41	-1.0	-46.18	368.11	2.32	-43.86
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CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC1	REAL300020207158	0	49	-1.0	-48.83	410.75	2.83	-46.00
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC1	REAL300020207158	1	49	-1.0	-48.75	410.80	2.80	-45.95
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC1	REAL300020207159	0	49	-1.0	-49.81	413.67	2.11	-47.70
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC1	REAL300020207159	1	49	-1.0	-49.78	413.71	2.08	-47.70
CC1=C(Br)C=NN1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207160	0	32	-1.0	-47.27	325.45	1.22	-46.05
CC1=C(Br)C=NN1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207160	1	32	-1.0	-47.24	325.50	1.19	-46.05
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CNC(=O)CC12CCC2	REAL300020207161	1	40	-1.0	-48.44	340.76	-0.01	-48.45
COC1C[C@@H]2CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C[C@H]12	REAL300020207162	0	40	-1.0	-44.82	340.24	2.24	-42.58
COC1C[C@@H]2CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C[C@H]12	REAL300020207162	1	40	-1.0	-44.79	340.29	2.21	-42.58
O=C(CC1COCCN1CC(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207163	0	41	-1.0	-48.69	351.95	-1.39	-50.08
O=C(CC1COCCN1CC(F)(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207163	1	41	-1.0	-48.70	352.00	-1.42	-50.12
CC1=CC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=CC=C2O1	REAL300020207164	0	35	-1.0	-48.06	325.25	3.21	-44.85
CC1=CC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=CC=C2O1	REAL300020207164	1	35	-1.0	-48.05	325.30	3.18	-44.87
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@H]1CCC2=CC=CC=C21	REAL300020207165	0	36	-1.0	-44.69	324.16	3.82	-40.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@H]1CCC2=CC=CC=C21	REAL300020207165	1	36	-1.0	-44.67	324.21	3.79	-40.88
CC1(C)C2CCC1(CC(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)CC2	REAL300020207166	0	45	-1.0	-43.46	355.45	3.99	-39.47
CC1(C)C2CCC1(CC(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)CC2	REAL300020207166	1	45	-1.0	-43.41	355.50	3.96	-39.45
O=C(CN1C=C(C2CCOC2)C=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207167	0	40	-1.0	-49.94	360.10	0.83	-49.11
O=C(CN1C=C(C2CCOC2)C=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207167	1	40	-1.0	-49.94	360.04	0.85	-49.09
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2C=CN=C2NC=C1	REAL300020207168	0	32	-1.0	-55.77	302.47	1.44	-54.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2C=CN=C2NC=C1	REAL300020207168	1	32	-1.0	-55.71	302.52	1.41	-54.30
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2C=CNC2=NC=C1	REAL300020207168	1	32	-1.0	-48.72	302.65	1.34	-47.38
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2C=CNC2=NC=C1	REAL300020207168	1	32	-1.0	-48.71	302.71	1.31	-47.40
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC2(CCC2)CC1	REAL300020207169	0	42	-1.0	-43.52	347.81	3.96	-39.56
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC2(CCC2)CC1	REAL300020207169	1	42	-1.0	-43.46	347.86	3.93	-39.53
CCC1=CC2=C(OCC2)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207170	0	40	-1.0	-49.20	356.04	4.25	-44.95
CCC1=CC2=C(OCC2)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020207170	1	40	-1.0	-49.15	356.09	4.22	-44.93
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2C=CSC2=CC=C1	REAL300020207171	0	32	-1.0	-45.68	310.86	3.38	-42.30
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2C=CSC2=CC=C1	REAL300020207171	1	32	-1.0	-45.61	310.91	3.35	-42.26
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C(F)(F)F)=CS1	REAL300020207172	0	29	-1.0	-43.73	310.22	2.09	-41.64
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C(F)(F)F)=CS1	REAL300020207172	1	29	-1.0	-43.70	310.27	2.06	-41.64
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207173	0	36	-1.0	-48.81	342.72	-4.78	-53.59
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207173	1	36	-1.0	-48.79	342.77	-4.81	-53.60
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(OCC2CC2)=C1	REAL300020207174	0	40	-1.0	-46.34	361.22	3.87	-42.47
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(OCC2CC2)=C1	REAL300020207174	1	40	-1.0	-46.31	361.27	3.84	-42.47
CSC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(Cl)=C1	REAL300020207175	0	33	-1.0	-45.04	330.77	3.59	-41.45
CSC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(Cl)=C1	REAL300020207175	1	33	-1.0	-45.05	330.82	3.56	-41.49
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2SC(C(F)F)=NC2=CC=C1	REAL300020207176	1	34	-1.0	-48.64	342.66	2.46	-46.18
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207177	0	51	-1.0	-49.46	411.48	2.45	-47.01
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207177	1	51	-1.0	-49.49	411.53	2.42	-47.07
CC(F)(F)C1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207178	0	35	-1.0	-45.40	331.40	3.58	-41.82
CC(F)(F)C1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020207178	1	35	-1.0	-45.31	331.45	3.56	-41.75
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2C=CSC2=C1	REAL300020207179	0	32	-1.0	-45.64	315.10	3.43	-42.21
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2C=CSC2=C1	REAL300020207179	1	32	-1.0	-45.61	315.15	3.41	-42.20
COC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(C)=N1	REAL300020207180	0	35	-1.0	-44.93	327.21	-0.59	-45.52
COC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(C)=N1	REAL300020207180	1	35	-1.0	-44.92	327.26	-0.62	-45.54
CN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2=CC=NN2C)=N1	REAL300020207181	0	39	-1.0	-51.83	364.33	0.98	-50.85
CN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2=CC=NN2C)=N1	REAL300020207181	1	39	-1.0	-51.81	364.39	0.95	-50.86
CC1CCC(C)(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020207182	0	38	-1.0	-43.87	324.17	2.81	-41.06
CC1CCC(C)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020207182	1	38	-1.0	-43.87	324.22	2.78	-41.09
CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=CO1	REAL300020207183	0	35	-1.0	-46.24	328.21	2.24	-44.00
CCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=CO1	REAL300020207183	1	35	-1.0	-46.20	328.26	2.21	-43.99
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C12CCCC1CCC2	REAL300020207184	0	39	-1.0	-44.00	323.48	3.23	-40.77
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C12CCCC1CCC2	REAL300020207184	1	39	-1.0	-43.92	323.53	3.20	-40.72
CC1=NC=C2CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CCC2=N1	REAL300020207185	0	40	-1.0	-46.73	353.89	2.37	-44.36
CC1=NC=C2CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CCC2=N1	REAL300020207185	1	40	-1.0	-46.68	353.94	2.34	-44.34
CC1=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C(F)(F)F)=CO1	REAL300020207186	0	35	-1.0	-45.55	343.53	2.50	-43.05
CC1=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)(F)F)=CO1	REAL300020207186	1	35	-1.0	-45.53	343.59	2.47	-43.06
CCC1=NC=C2CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CCC2=N1	REAL300020207187	0	43	-1.0	-46.55	375.45	2.99	-43.56
CCC1=NC=C2CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CCC2=N1	REAL300020207187	1	43	-1.0	-46.55	375.50	2.96	-43.59
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)OC1=CC=CC=C1	REAL300020207188	0	33	-1.0	-45.03	321.03	2.77	-42.26
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)OC1=CC=CC=C1	REAL300020207188	1	33	-1.0	-45.00	321.08	2.75	-42.25
CC1=CN(CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)N=C1	REAL300020207189	0	42	-1.0	-49.58	383.92	4.37	-45.21
CC1=CN(CC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)N=C1	REAL300020207189	1	42	-1.0	-49.63	383.87	4.39	-45.24
COCCC(C)(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207190	0	41	-1.0	-43.81	343.91	1.20	-42.61
COCCC(C)(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207190	1	41	-1.0	-43.77	343.97	1.17	-42.60
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL300020207191	0	43	-1.0	-44.58	350.56	4.81	-39.77
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL300020207191	1	43	-1.0	-44.59	350.61	4.77	-39.82
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL300020207192	0	43	-1.0	-45.57	366.94	4.85	-40.72
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL300020207192	1	43	-1.0	-45.54	366.99	4.82	-40.72
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCNS1(=O)=O	REAL300020207193	0	37	-1.0	-47.89	329.62	-2.77	-50.66
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCNS1(=O)=O	REAL300020207193	1	37	-1.0	-47.85	329.68	-2.80	-50.65
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=COC(C(F)F)=N1	REAL300020207194	0	28	-1.0	-47.86	292.22	-2.30	-50.16
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=COC(C(F)F)=N1	REAL300020207194	1	28	-1.0	-47.80	292.27	-2.33	-50.13
O=C(CCC1=CC=C(Br)S1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207195	0	32	-1.0	-44.36	336.14	3.36	-41.00
O=C(CCC1=CC=C(Br)S1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207195	1	32	-1.0	-44.32	336.19	3.34	-40.98
O=C(CC1COCCO1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207196	0	34	-1.0	-48.14	307.82	-0.29	-48.43
O=C(CC1COCCO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207196	1	34	-1.0	-48.09	307.88	-0.32	-48.41
CCC1(C)CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020207197	0	38	-1.0	-43.37	327.06	2.77	-40.60
CCC1(C)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020207197	1	38	-1.0	-43.36	327.11	2.74	-40.62
CC(C)(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)(F)F	REAL300020207198	0	37	-1.0	-43.14	319.76	2.20	-40.94
CC(C)(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)(F)F	REAL300020207198	1	37	-1.0	-43.10	319.82	2.18	-40.92
CN1C=CC(C23CC(CC2)C3C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020207199	0	43	-1.0	-51.13	369.99	3.67	-47.46
CN1C=CC(C23CC(CC2)C3C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020207199	1	43	-1.0	-51.16	369.94	3.70	-47.46
CC1=CC2=C(C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N2CC2CC2)S1	REAL300020207200	0	43	-1.0	-45.25	394.57	5.95	-39.30
CC1=CC2=C(C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N2CC2CC2)S1	REAL300020207200	1	43	-1.0	-45.23	394.62	5.93	-39.30
O=C(CCC=CBr)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207201	0	29	-1.0	-43.57	298.61	1.80	-41.77
O=C(CCC=CBr)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207201	1	29	-1.0	-43.52	298.66	1.77	-41.75
CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)F	REAL300020207202	0	31	-1.0	-46.22	292.46	1.34	-44.88
CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)F	REAL300020207202	1	31	-1.0	-46.17	292.51	1.31	-44.86
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)C=N1	REAL300020207203	0	34	-1.0	-43.74	311.24	1.57	-42.17
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)C=N1	REAL300020207203	1	34	-1.0	-43.77	311.30	1.54	-42.23
CC1=CC(F)=CC(C(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207204	0	38	-1.0	-45.60	346.59	4.02	-41.58
CC1=CC(F)=CC(C(C)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020207204	1	38	-1.0	-45.60	346.64	3.99	-41.61
COC1=CN=C(C(F)(F)F)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207205	0	35	-1.0	-46.95	341.42	1.87	-45.08
COC1=CN=C(C(F)(F)F)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207205	1	35	-1.0	-46.97	341.37	1.90	-45.07
O=C(CC(C1=CC=CC=C1F)C(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207206	0	38	-1.0	-45.46	351.68	4.13	-41.33
O=C(CC(C1=CC=CC=C1F)C(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207206	1	38	-1.0	-45.47	351.73	4.10	-41.37
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC2=CC=NN21	REAL300020207207	0	36	-1.0	-45.89	321.73	1.76	-44.13
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC2=CC=NN21	REAL300020207207	1	36	-1.0	-45.83	321.78	1.73	-44.10
O=C(COC1=CC=CC=C1C(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207208	0	36	-1.0	-49.54	341.71	3.62	-45.92
O=C(COC1=CC=CC=C1C(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207208	1	36	-1.0	-49.50	341.76	3.59	-45.91
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C2CC2(F)F)=C1	REAL300020207209	0	36	-1.0	-48.82	338.05	4.27	-44.55
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C2CC2(F)F)=C1	REAL300020207209	1	36	-1.0	-48.76	338.11	4.24	-44.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C2CCCC2=C1	REAL300020207210	0	35	-1.0	-46.13	318.75	2.15	-43.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C2CCCC2=C1	REAL300020207210	1	35	-1.0	-46.11	318.81	2.12	-43.99
CC1=NC(C2CC2)=NC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207211	0	37	-1.0	-44.16	337.00	2.38	-41.78
CC1=NC(C2CC2)=NC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207211	1	37	-1.0	-44.11	337.05	2.35	-41.76
CCOC1=C2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)SC2=NC=C1	REAL300020207212	0	38	-1.0	-48.42	363.60	1.81	-46.61
CCOC1=C2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)SC2=NC=C1	REAL300020207212	1	38	-1.0	-48.48	363.55	1.84	-46.64
CC1(C)CCOC1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207213	0	39	-1.0	-47.44	333.02	1.67	-45.77
CC1(C)CCOC1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207213	1	39	-1.0	-47.41	333.07	1.64	-45.77
CC1=NN=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1C	REAL300020207214	0	37	-1.0	-50.39	339.64	2.39	-48.00
CC1=NN=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1C	REAL300020207214	1	37	-1.0	-50.34	339.69	2.36	-47.98
CCC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=N1	REAL300020207215	0	36	-1.0	-43.86	327.96	1.30	-42.56
CCC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=N1	REAL300020207215	1	36	-1.0	-43.86	328.01	1.27	-42.59
CC1=NC(C2CCOCC2)=NC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207216	0	44	-1.0	-44.72	380.34	1.41	-43.31
CC1=NC(C2CCOCC2)=NC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207216	1	44	-1.0	-44.69	380.40	1.38	-43.31
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300020207217	0	40	-1.0	-45.30	333.27	1.43	-43.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300020207217	1	40	-1.0	-45.21	333.32	1.40	-43.81
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2CC1C1C2C1(F)F	REAL300020207218	0	37	-1.0	-43.54	323.53	3.21	-40.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2CC1C1C2C1(F)F	REAL300020207218	1	37	-1.0	-43.48	323.58	3.19	-40.29
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1C2CC1(C1=CN=CS1)CC2	REAL300020207219	0	39	-1.0	-45.20	354.55	2.82	-42.38
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1C2CC1(C1=CN=CS1)CC2	REAL300020207219	1	39	-1.0	-45.26	354.50	2.85	-42.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC2(CC1)COCCO2	REAL300020207220	0	44	-1.0	-47.03	362.76	1.35	-45.68
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC2(CC1)COCCO2	REAL300020207220	1	44	-1.0	-47.01	362.82	1.32	-45.69
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC2=NC=CN=C12	REAL300020207221	0	32	-1.0	-53.45	307.64	-0.05	-53.50
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC2=NC=CN=C12	REAL300020207221	1	32	-1.0	-53.50	307.59	-0.02	-53.52
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207222	0	32	-1.0	-47.58	332.83	3.17	-44.41
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207222	1	32	-1.0	-47.56	332.88	3.14	-44.42
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300020207223	0	40	-1.0	-44.78	356.68	4.75	-40.03
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300020207223	1	40	-1.0	-44.78	356.74	4.72	-40.06
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300020207224	0	35	-1.0	-55.08	339.56	-4.87	-59.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300020207224	1	35	-1.0	-55.15	339.51	-4.84	-59.99
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300020207225	0	36	-1.0	-47.21	320.58	3.04	-44.17
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300020207225	1	36	-1.0	-47.18	320.63	3.01	-44.17
CC1=NN(C2=CC=CC=C2C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020207226	0	39	-1.0	-51.65	356.49	4.06	-47.59
CC1=NN(C2=CC=CC=C2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020207226	1	39	-1.0	-51.61	356.55	4.04	-47.57
CC1=NC=NC(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207227	0	33	-1.0	-44.49	311.46	0.96	-43.53
CC1=NC=NC(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207227	1	33	-1.0	-44.42	311.51	0.93	-43.49
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300020207228	0	39	-1.0	-44.75	360.58	4.71	-40.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300020207228	1	39	-1.0	-44.67	360.63	4.68	-39.99
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=C(Br)O1	REAL300020207229	0	32	-1.0	-43.27	327.38	2.14	-41.13
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=C(Br)O1	REAL300020207229	1	32	-1.0	-43.24	327.43	2.12	-41.12
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207230	0	43	-1.0	-49.76	365.76	2.96	-46.80
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207230	1	43	-1.0	-49.80	365.71	2.99	-46.81
CC12CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)(C1)C1(CCC1)O2	REAL300020207231	0	41	-1.0	-43.57	349.89	2.10	-41.47
CC12CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)(C1)C1(CCC1)O2	REAL300020207231	1	41	-1.0	-43.53	349.94	2.07	-41.46
CC12CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)(C1)C1(CCOCC1)O2	REAL300020207232	0	45	-1.0	-44.99	371.31	0.79	-44.20
CC12CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)(C1)C1(CCOCC1)O2	REAL300020207232	1	45	-1.0	-44.95	371.36	0.76	-44.19
CC1=COC(C(C)C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207233	0	38	-1.0	-46.06	348.48	2.83	-43.23
CC1=COC(C(C)C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207233	1	38	-1.0	-46.01	348.53	2.80	-43.21
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NC(C)=N1	REAL300020207234	0	33	-1.0	-45.07	313.99	0.70	-44.37
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NC(C)=N1	REAL300020207234	1	33	-1.0	-45.04	314.04	0.67	-44.37
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(CCCNC2=O)O1	REAL300020207235	0	37	-1.0	-50.68	339.98	-0.60	-51.28
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(CCCNC2=O)O1	REAL300020207235	1	37	-1.0	-50.56	340.04	-0.63	-51.19
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2C=C(F)C=CC2=NN1	REAL300020207236	0	32	-1.0	-46.09	311.65	0.82	-45.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2C=C(F)C=CC2=NN1	REAL300020207236	1	32	-1.0	-46.05	311.70	0.79	-45.26
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CS(=O)(=O)C1	REAL300020207237	0	32	-1.0	-48.68	302.21	-2.33	-51.01
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CS(=O)(=O)C1	REAL300020207237	1	32	-1.0	-48.63	302.26	-2.36	-50.99
COC1=CC=C(C23CC(CC2)C3C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020207238	0	47	-1.0	-46.49	398.66	4.80	-41.69
COC1=CC=C(C23CC(CC2)C3C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020207238	1	47	-1.0	-46.44	398.71	4.78	-41.66
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2CCOCC2)CCOCC1	REAL300020207239	0	47	-1.0	-46.81	367.74	1.41	-45.40
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2CCOCC2)CCOCC1	REAL300020207239	1	47	-1.0	-44.71	368.01	1.26	-43.45
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1C1CC1(F)F	REAL300020207240	0	36	-1.0	-48.27	334.83	4.27	-44.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1C1CC1(F)F	REAL300020207240	1	36	-1.0	-48.22	334.88	4.24	-43.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=NN1C1CC1	REAL300020207241	0	32	-1.0	-45.54	304.94	0.02	-45.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=NN1C1CC1	REAL300020207241	1	32	-1.0	-45.55	304.88	0.04	-45.51
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(O)C1=CC(F)=C(F)C=C1F	REAL300020207242	0	33	-1.0	-44.20	324.23	1.09	-43.11
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(O)C1=CC(F)=C(F)C=C1F	REAL300020207242	1	33	-1.0	-44.18	324.28	1.06	-43.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300020207243	0	33	-1.0	-49.00	329.94	0.98	-48.02
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300020207243	1	33	-1.0	-48.93	329.99	0.95	-47.98
CCC1=NN(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1Cl	REAL300020207244	0	35	-1.0	-43.05	343.81	1.53	-41.52
CCC1=NN(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1Cl	REAL300020207244	1	35	-1.0	-42.99	343.87	1.50	-41.49
O=C(CSC1=CC=CC(F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207245	0	33	-1.0	-46.61	327.77	3.27	-43.34
O=C(CSC1=CC=CC(F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207245	1	33	-1.0	-46.58	327.82	3.25	-43.33
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(C=C(Br)O2)N1	REAL300020207246	0	30	-1.0	-44.33	314.09	0.78	-43.55
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(C=C(Br)O2)N1	REAL300020207246	1	30	-1.0	-44.29	314.14	0.76	-43.53
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC(=O)N1CCC(F)(F)F	REAL300020207247	0	39	-1.0	-48.90	360.62	2.26	-46.64
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC(=O)N1CCC(F)(F)F	REAL300020207247	1	39	-1.0	-48.91	360.67	2.23	-46.68
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(=O)NC2=NC=CC=C21	REAL300020207248	0	36	-1.0	-49.72	333.45	0.13	-49.59
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(=O)NC2=NC=CC=C21	REAL300020207248	1	36	-1.0	-49.74	333.40	0.16	-49.58
CC1=NC(C2CC2)=NC(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207249	0	40	-1.0	-45.11	363.80	2.60	-42.51
CC1=NC(C2CC2)=NC(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207249	1	40	-1.0	-45.07	363.85	2.57	-42.50
CCC1=NC(C)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C)=N1	REAL300020207250	0	39	-1.0	-44.73	354.77	1.54	-43.19
CCC1=NC(C)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C)=N1	REAL300020207250	1	39	-1.0	-44.64	354.83	1.51	-43.13
CC(C)C1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C(F)(F)F)=CO1	REAL300020207251	0	38	-1.0	-48.99	367.43	3.23	-45.76
CC(C)C1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)(F)F)=CO1	REAL300020207251	1	38	-1.0	-48.95	367.48	3.20	-45.75
CCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C(F)(F)F)=CO1	REAL300020207252	0	35	-1.0	-49.50	347.16	2.64	-46.86
CCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)(F)F)=CO1	REAL300020207252	1	35	-1.0	-49.45	347.21	2.61	-46.84
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2CCCCO2)CC1	REAL300020207253	0	40	-1.0	-43.43	341.62	2.39	-41.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2CCCCO2)CC1	REAL300020207253	1	40	-1.0	-43.40	341.67	2.36	-41.04
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=NS1	REAL300020207254	0	28	-1.0	-43.86	281.46	0.52	-43.34
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=NS1	REAL300020207254	1	28	-1.0	-43.83	281.51	0.49	-43.34
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2CC2)=NNC1=O	REAL300020207255	0	35	-1.0	-49.05	327.81	0.13	-48.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2CC2)=NNC1=O	REAL300020207255	1	35	-1.0	-49.02	327.86	0.10	-48.92
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300020207256	0	43	-1.0	-45.10	379.49	4.20	-40.90
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300020207256	1	43	-1.0	-45.08	379.54	4.17	-40.91
CC1=CC(C)=C2NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=C1	REAL300020207257	0	39	-1.0	-44.88	354.52	3.31	-41.57
CC1=CC(C)=C2NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=C1	REAL300020207257	1	39	-1.0	-44.87	354.57	3.28	-41.59
CC1=NC2=C(NC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)S1	REAL300020207258	0	32	-1.0	-46.74	318.91	-0.08	-46.82
CC1=NC2=C(NC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)S1	REAL300020207258	1	32	-1.0	-46.71	318.96	-0.11	-46.82
CC1(C)OCC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)NN=C21	REAL300020207259	0	37	-1.0	-45.08	337.45	-0.86	-45.94
CC1(C)OCC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)NN=C21	REAL300020207259	1	37	-1.0	-45.05	337.50	-0.89	-45.94
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2CCOCC2)=NN1	REAL300020207260	0	40	-1.0	-44.89	354.61	-0.11	-45.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2CCOCC2)=NN1	REAL300020207260	1	40	-1.0	-44.82	354.66	-0.14	-44.96
O=C(C=CC1=CN=CC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207261	0	31	-1.0	-46.76	304.98	-0.11	-46.87
O=C(C=CC1=CN=CC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207261	1	31	-1.0	-46.74	305.03	-0.14	-46.88
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2CCCC2)N=C1	REAL300020207262	0	39	-1.0	-45.95	346.12	2.43	-43.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2CCCC2)N=C1	REAL300020207262	1	39	-1.0	-46.02	346.07	2.46	-43.56
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020207263	0	47	-1.0	-44.63	389.55	4.47	-40.16
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020207263	1	47	-1.0	-44.61	389.60	4.44	-40.17
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC2=C1CC(F)(F)CC2	REAL300020207264	0	35	-1.0	-47.91	330.38	2.17	-45.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC2=C1CC(F)(F)CC2	REAL300020207264	1	35	-1.0	-47.86	330.43	2.14	-45.72
O=C(CCN1C=CC2=CC=CN=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207265	0	38	-1.0	-47.50	352.02	3.88	-43.62
O=C(CCN1C=CC2=CC=CN=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207265	1	38	-1.0	-47.57	351.96	3.91	-43.66
CC1=CC([N+](=O)[O-])=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1F	REAL300020207266	0	34	-1.0	-48.72	329.15	4.42	-44.30
CC1=CC([N+](=O)[O-])=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1F	REAL300020207266	1	34	-1.0	-48.69	329.20	4.39	-44.30
CCCC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020207267	0	34	-1.0	-45.83	330.38	1.30	-44.53
CCCC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020207267	1	34	-1.0	-45.78	330.44	1.27	-44.51
CC1=NN(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1Cl	REAL300020207268	0	32	-1.0	-43.14	322.33	0.80	-42.34
CC1=NN(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1Cl	REAL300020207268	1	32	-1.0	-43.12	322.38	0.77	-42.35
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1	REAL300020207269	0	39	-1.0	-44.29	347.06	2.20	-42.09
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1	REAL300020207269	1	39	-1.0	-44.26	347.11	2.17	-42.09
O=C(CS(=O)(=O)C1=CC=CC=C1F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207270	0	35	-1.0	-55.72	346.28	-0.21	-55.93
O=C(CS(=O)(=O)C1=CC=CC=C1F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207270	1	35	-1.0	-55.68	346.33	-0.23	-55.91
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C(F)C(F)=C1	REAL300020207271	0	28	-1.0	-43.42	285.97	0.25	-43.17
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C(F)C(F)=C1	REAL300020207271	1	28	-1.0	-43.50	285.91	0.27	-43.23
COC1=CC=C2C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)NC2=N1	REAL300020207272	0	36	-1.0	-46.56	338.87	-0.24	-46.80
COC1=CC=C2C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)NC2=N1	REAL300020207272	1	36	-1.0	-46.51	338.92	-0.27	-46.78
COC(=O)C(OC)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207273	0	32	-1.0	-46.96	308.91	0.46	-46.50
COC(=O)C(OC)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207273	1	32	-1.0	-46.91	308.96	0.43	-46.48
COC(=O)[C@@H]1C[C@]1(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207274	0	35	-1.0	-48.19	328.96	1.81	-46.38
COC(=O)[C@@H]1C[C@]1(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207274	1	35	-1.0	-48.12	329.02	1.78	-46.34
COC(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)S1	REAL300020207275	0	35	-1.0	-47.52	343.47	2.54	-44.98
COC(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)S1	REAL300020207275	1	35	-1.0	-47.44	343.52	2.51	-44.93
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN=C(C2CCOCC2)NC1=O	REAL300020207276	0	42	-1.0	-51.95	370.39	-0.03	-51.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN=C(C2CCOCC2)NC1=O	REAL300020207276	1	42	-1.0	-51.95	370.44	-0.06	-52.01
CC(C)(C)C1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1	REAL300020207277	0	38	-1.0	-44.84	342.54	1.22	-43.62
CC(C)(C)C1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1	REAL300020207277	1	38	-1.0	-44.76	342.59	1.19	-43.57
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300020207278	0	32	-1.0	-51.23	325.35	2.35	-48.88
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300020207278	1	32	-1.0	-51.28	325.30	2.38	-48.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1CCC2=CC=CC=C21	REAL300020207279	0	36	-1.0	-43.42	324.52	3.81	-39.61
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1CCC2=CC=CC=C21	REAL300020207279	1	36	-1.0	-43.41	324.58	3.78	-39.63
CCN1C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC1=O	REAL300020207280	0	35	-1.0	-52.32	325.20	1.80	-50.52
CCN1C=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC1=O	REAL300020207280	1	35	-1.0	-52.27	325.25	1.77	-50.50
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2CCOC2=C1	REAL300020207281	0	34	-1.0	-47.05	314.04	1.92	-45.13
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2CCOC2=C1	REAL300020207281	1	34	-1.0	-46.99	314.09	1.89	-45.10
COC1=CC=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1F	REAL300020207282	0	32	-1.0	-50.35	309.64	-0.28	-50.63
COC1=CC=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1F	REAL300020207282	1	32	-1.0	-50.41	309.59	-0.25	-50.66
N#CCN1C=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020207283	0	30	-1.0	-59.44	304.61	0.40	-59.04
N#CCN1C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020207283	1	30	-1.0	-59.49	304.56	0.42	-59.07
O=C(CSC1=CC=CC(Cl)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207284	0	33	-1.0	-45.99	338.09	3.72	-42.27
O=C(CSC1=CC=CC(Cl)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207284	1	33	-1.0	-45.94	338.14	3.69	-42.25
O=C(CC1C[C@@H]2COC[C@H]12)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207285	0	37	-1.0	-45.52	324.07	1.06	-44.46
O=C(CC1C[C@@H]2COC[C@H]12)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207285	1	37	-1.0	-45.49	324.12	1.03	-44.46
COCC1=CN=C(OC)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020207286	0	39	-1.0	-47.47	358.39	-0.30	-47.77
COCC1=CN=C(OC)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207286	1	39	-1.0	-47.54	358.34	-0.27	-47.81
CC1=CC=C2C(=C1)C=CN2CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207287	0	42	-1.0	-45.46	378.42	5.40	-40.06
CC1=CC=C2C(=C1)C=CN2CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207287	1	42	-1.0	-45.44	378.47	5.38	-40.06
COC1=CC=C(C(C)=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020207288	0	40	-1.0	-44.50	362.17	3.38	-41.12
COC1=CC=C(C(C)=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020207288	1	40	-1.0	-44.50	362.22	3.35	-41.15
O=C(CN1N=NC(C2CC2)=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207289	0	34	-1.0	-51.02	326.58	0.29	-50.73
O=C(CN1N=NC(C2CC2)=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207289	1	34	-1.0	-51.02	326.63	0.26	-50.76
CC1(C)OC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2O1	REAL300020207290	0	38	-1.0	-46.55	346.35	2.35	-44.20
CC1(C)OC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2O1	REAL300020207290	1	38	-1.0	-46.54	346.39	2.31	-44.23
COC1=CC=C(C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(F)F)C=C1	REAL300020207291	0	42	-1.0	-45.89	376.12	3.41	-42.48
COC1=CC=C(C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(F)F)C=C1	REAL300020207291	1	42	-1.0	-45.84	376.17	3.38	-42.46
COC1=CC2=C(OCC2)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207292	0	38	-1.0	-48.68	342.64	2.12	-46.56
COC1=CC2=C(OCC2)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020207292	1	38	-1.0	-48.64	342.69	2.09	-46.55
CC1=CC(=O)N(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020207293	0	37	-1.0	-54.83	344.68	2.15	-52.68
CC1=CC(=O)N(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020207293	1	37	-1.0	-54.77	344.73	2.12	-52.65
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2OC=CC2=CC=C1Cl	REAL300020207294	0	32	-1.0	-49.19	325.42	2.71	-46.48
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2OC=CC2=CC=C1Cl	REAL300020207294	1	32	-1.0	-49.18	325.47	2.68	-46.50
CC1=CSC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N=CN=C12	REAL300020207295	0	33	-1.0	-45.96	326.87	2.04	-43.92
CC1=CSC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N=CN=C12	REAL300020207295	1	33	-1.0	-46.03	326.82	2.07	-43.96
CCN1C=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020207296	0	31	-1.0	-51.85	300.16	1.32	-50.53
CCN1C=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020207296	1	31	-1.0	-51.88	300.11	1.35	-50.53
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300020207297	0	43	-1.0	-47.41	380.82	2.33	-45.08
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300020207297	1	43	-1.0	-47.41	380.88	2.30	-45.11
N#CCN1N=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207298	0	30	-1.0	-47.03	299.73	0.38	-46.65
N#CCN1N=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207298	1	30	-1.0	-47.07	299.68	0.40	-46.67
CC(CC1CCC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207299	0	38	-1.0	-43.59	328.45	3.12	-40.47
CC(CC1CCC1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207299	1	38	-1.0	-43.56	328.51	3.10	-40.46
O=C(CCCC1CCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207300	0	38	-1.0	-44.02	334.05	3.39	-40.63
O=C(CCCC1CCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207300	1	38	-1.0	-43.96	334.10	3.36	-40.60
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207301	0	49	-1.0	-45.67	411.89	1.47	-44.20
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207301	1	49	-1.0	-45.69	411.94	1.44	-44.25
CC(C)(C)OC(=O)NCCOCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207302	0	49	-1.0	-47.94	424.79	-0.34	-48.28
CC(C)(C)OC(=O)NCCOCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207302	1	49	-1.0	-47.88	424.84	-0.37	-48.25
O=C(CC1=NN=C2COCCN12)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207303	0	36	-1.0	-56.19	331.88	0.20	-55.99
O=C(CC1=NN=C2COCCN12)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207303	1	36	-1.0	-56.09	331.93	0.18	-55.91
CC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1N	REAL300020207304	0	34	-1.0	-44.08	307.04	1.03	-43.05
CC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1N	REAL300020207304	1	34	-1.0	-44.05	307.09	1.01	-43.04
COC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(N)C(OC)=C1OC	REAL300020207305	0	43	-1.0	-44.64	382.56	-0.36	-45.00
COC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(N)C(OC)=C1OC	REAL300020207305	1	43	-1.0	-44.55	382.62	-0.39	-44.94
NC1=CC=CC(F)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207306	0	31	-1.0	-49.51	301.59	-0.14	-49.65
NC1=CC=CC(F)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207306	1	31	-1.0	-49.49	301.64	-0.17	-49.66
NC1=C(Cl)C=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207307	0	31	-1.0	-41.66	319.11	1.35	-40.31
NC1=C(Cl)C=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207307	1	31	-1.0	-41.61	319.16	1.32	-40.29
NC1=CC=C(Br)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207308	0	31	-1.0	-43.39	309.85	0.89	-42.50
NC1=CC=C(Br)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207308	1	31	-1.0	-43.34	309.91	0.87	-42.47
NC1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207309	0	31	-1.0	-43.48	305.29	0.79	-42.69
NC1=CC=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207309	1	31	-1.0	-43.46	305.35	0.76	-42.70
NC1=C(Cl)C=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207310	0	31	-1.0	-43.19	303.27	0.84	-42.35
NC1=C(Cl)C=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207310	1	31	-1.0	-43.16	303.33	0.81	-42.35
NC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CC=C1C(F)(F)F	REAL300020207311	0	34	-1.0	-43.47	323.12	1.41	-42.06
NC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CC=C1C(F)(F)F	REAL300020207311	1	34	-1.0	-43.48	323.18	1.39	-42.09
NC1=CC(F)=C(F)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207312	0	31	-1.0	-43.58	300.68	0.40	-43.18
NC1=CC(F)=C(F)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207312	1	31	-1.0	-43.54	300.74	0.37	-43.17
CC1=CC(Br)=C(N)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207313	0	34	-1.0	-42.70	328.80	1.63	-41.07
CC1=CC(Br)=C(N)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020207313	1	34	-1.0	-42.65	328.86	1.60	-41.05
NC1=C(Br)C=C(F)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207314	0	31	-1.0	-41.99	312.89	1.06	-40.93
NC1=C(Br)C=C(F)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207314	1	31	-1.0	-41.92	312.94	1.02	-40.90
NC1=C(F)C=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207315	0	31	-1.0	-43.73	294.26	0.35	-43.38
NC1=C(F)C=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207315	1	31	-1.0	-43.70	294.31	0.33	-43.37
NC1=C(Br)C=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207316	0	31	-1.0	-43.10	307.41	0.96	-42.14
NC1=C(Br)C=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207316	1	31	-1.0	-43.10	307.46	0.93	-42.17
NC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CC(Cl)=C1Cl	REAL300020207317	0	31	-1.0	-42.06	317.52	1.32	-40.74
NC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CC(Cl)=C1Cl	REAL300020207317	1	31	-1.0	-42.00	317.57	1.29	-40.71
CC1=CC=C(F)C(N)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207318	0	34	-1.0	-44.09	320.27	0.43	-43.66
CC1=CC=C(F)C(N)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207318	1	34	-1.0	-44.04	320.32	0.41	-43.63
CC1=CC(F)=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1N	REAL300020207319	0	34	-1.0	-43.97	313.42	1.11	-42.86
CC1=CC(F)=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1N	REAL300020207319	1	34	-1.0	-43.96	313.47	1.08	-42.88
NC1=C(F)C=C(Br)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207320	0	31	-1.0	-41.72	314.75	1.00	-40.72
NC1=C(F)C=C(Br)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207320	1	31	-1.0	-41.65	314.80	0.96	-40.69
NC1=CC=C(C(F)(F)F)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207321	0	34	-1.0	-44.14	327.58	1.28	-42.86
NC1=CC=C(C(F)(F)F)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207321	1	34	-1.0	-44.15	327.63	1.24	-42.91
CC1=CC(Br)=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1N	REAL300020207322	0	34	-1.0	-43.30	328.30	1.66	-41.64
CC1=CC(Br)=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1N	REAL300020207322	1	34	-1.0	-43.22	328.35	1.63	-41.59
NC1=CC(F)=C(Br)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207323	0	31	-1.0	-42.84	314.96	0.94	-41.90
NC1=CC(F)=C(Br)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207323	1	31	-1.0	-42.79	315.01	0.91	-41.88
CC1=CC(Cl)=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1N	REAL300020207324	0	34	-1.0	-43.42	323.74	1.55	-41.87
CC1=CC(Cl)=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1N	REAL300020207324	1	34	-1.0	-43.35	323.79	1.52	-41.83
CC1=CC(Cl)=C(N)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207325	0	34	-1.0	-42.75	324.67	1.51	-41.24
CC1=CC(Cl)=C(N)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020207325	1	34	-1.0	-42.69	324.72	1.48	-41.21
NC1=CC(F)=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207326	0	31	-1.0	-42.89	310.55	0.84	-42.05
NC1=CC(F)=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207326	1	31	-1.0	-42.90	310.60	0.81	-42.09
CC1=CN(C2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C(N)C=C2F)N=C1	REAL300020207327	0	41	-1.0	-46.81	372.13	2.11	-44.70
CC1=CN(C2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C(N)C=C2F)N=C1	REAL300020207327	1	41	-1.0	-46.90	372.08	2.14	-44.76
CC1=C(Br)C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1N	REAL300020207328	0	34	-1.0	-42.69	323.94	1.55	-41.14
CC1=C(Br)C=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1N	REAL300020207328	1	34	-1.0	-42.61	323.99	1.52	-41.09
CC1=C(F)C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1N	REAL300020207329	0	34	-1.0	-42.90	311.18	1.08	-41.82
CC1=C(F)C=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1N	REAL300020207329	1	34	-1.0	-42.82	311.23	1.05	-41.77
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(N)=C1Cl	REAL300020207330	0	34	-1.0	-43.03	321.06	1.42	-41.61
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(N)=C1Cl	REAL300020207330	1	34	-1.0	-42.96	321.11	1.42	-41.54
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(N)C=C1F	REAL300020207331	0	34	-1.0	-42.50	314.66	0.98	-41.52
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(N)C=C1F	REAL300020207331	1	34	-1.0	-42.53	314.71	0.96	-41.57
NC1=C(Cl)C=C(F)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207332	0	31	-1.0	-42.01	308.80	0.91	-41.10
NC1=C(Cl)C=C(F)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207332	1	31	-1.0	-41.94	308.85	0.88	-41.06
COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(N)=C1F	REAL300020207333	0	35	-1.0	-45.38	323.46	-0.31	-45.69
COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(N)=C1F	REAL300020207333	1	35	-1.0	-45.36	323.51	-0.34	-45.70
COC1=C(F)C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(N)=C1F	REAL300020207334	0	35	-1.0	-43.76	333.68	-0.14	-43.90
COC1=C(F)C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(N)=C1F	REAL300020207334	1	35	-1.0	-43.74	333.73	-0.16	-43.90
NC1=CC(Br)=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1N	REAL300020207335	0	33	-1.0	-44.13	321.08	-0.94	-45.07
NC1=CC(Br)=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1N	REAL300020207335	1	33	-1.0	-44.10	321.13	-0.98	-45.08
NC1=CC(Cl)=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207336	0	31	-1.0	-42.67	319.86	1.25	-41.42
NC1=CC(Cl)=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207336	1	31	-1.0	-42.64	319.91	1.22	-41.42
NC1=CC(Br)=C(F)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207337	0	31	-1.0	-43.13	314.97	0.94	-42.19
NC1=CC(Br)=C(F)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207337	1	31	-1.0	-43.07	315.02	0.91	-42.16
NC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CC(Cl)=C1F	REAL300020207338	0	31	-1.0	-42.51	309.61	0.88	-41.63
NC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CC(Cl)=C1F	REAL300020207338	1	31	-1.0	-42.42	309.66	0.85	-41.57
NC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CC(Br)=C1F	REAL300020207339	0	31	-1.0	-42.35	314.01	0.97	-41.38
NC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CC(Br)=C1F	REAL300020207339	1	31	-1.0	-42.33	314.07	0.94	-41.39
CC1=C(F)C=CC(N)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207340	0	34	-1.0	-43.49	320.10	0.37	-43.12
CC1=C(F)C=CC(N)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207340	1	34	-1.0	-43.47	320.15	0.34	-43.13
COC1=CC(OC)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(N)=C1Cl	REAL300020207341	0	39	-1.0	-47.71	367.48	-0.90	-48.61
COC1=CC(OC)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(N)=C1Cl	REAL300020207341	1	39	-1.0	-47.64	367.53	-0.93	-48.57
O=C(CC1=CC=C(O)C=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207342	0	32	-1.0	-49.69	307.33	-1.74	-51.43
O=C(CC1=CC=C(O)C=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207342	1	32	-1.0	-49.65	307.38	-1.77	-51.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)C=CC2=CC=NC=C21	REAL300020207343	0	34	-1.0	-49.72	338.00	2.69	-47.03
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)C=CC2=CC=NC=C21	REAL300020207343	1	34	-1.0	-49.75	337.94	2.72	-47.03
C=CN1N=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207344	0	30	-1.0	-45.37	290.96	0.84	-44.53
C=CN1N=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207344	1	30	-1.0	-45.33	291.02	0.81	-44.52
C[NH+](C)CCSCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207345	0	38	0.0	-70.07	345.31	2.42	-67.65
C[NH+](C)CCSCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207345	1	38	0.0	-70.05	345.36	2.39	-67.66
O=C(CCC1=C(Br)SC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207346	0	32	-1.0	-45.18	333.34	3.12	-42.06
O=C(CCC1=C(Br)SC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207346	1	32	-1.0	-45.14	333.39	3.09	-42.05
CN1C=C(Br)C(=O)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207347	0	32	-1.0	-58.64	323.11	2.18	-56.46
CN1C=C(Br)C(=O)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020207347	1	32	-1.0	-58.54	323.17	2.15	-56.39
CC(C)(C)OC1CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1(C)C	REAL300020207348	0	51	-1.0	-45.63	416.03	4.08	-41.55
CC(C)(C)OC1CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1(C)C	REAL300020207348	1	51	-1.0	-45.56	416.09	4.05	-41.51
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)NC1=NC=CN1	REAL300020207349	0	30	-1.0	-45.15	294.38	-0.27	-45.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)NC1=NC=CN1	REAL300020207349	1	30	-1.0	-45.12	294.43	-0.30	-45.42
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C12CC(C1)CN2C1CC1	REAL300020207350	0	39	-1.0	-43.79	334.80	1.43	-42.36
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C12CC(C1)CN2C1CC1	REAL300020207350	1	39	-1.0	-43.70	334.85	1.40	-42.30
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C12CC(C1)C[N@@H+]2C1CC1	REAL300020207350	1	40	0.0	-57.60	336.77	3.11	-54.49
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C12CC(C1)C[N@H+]2C1CC1	REAL300020207350	1	40	0.0	-58.08	336.51	3.78	-54.30
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)=CC1=CNC=N1	REAL300020207351	0	30	-1.0	-51.70	298.79	1.31	-50.39
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)=CC1=CNC=N1	REAL300020207351	1	30	-1.0	-51.67	298.84	1.28	-50.39
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(CC2=NNN=C2)CCOCC1	REAL300020207352	0	42	-1.0	-46.87	357.75	-0.87	-47.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(CC2=NNN=C2)CCOCC1	REAL300020207352	1	42	-1.0	-46.84	357.80	-0.90	-47.74
CC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NN1C	REAL300020207353	0	31	-1.0	-52.43	298.20	0.26	-52.17
CC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1C	REAL300020207353	1	31	-1.0	-52.39	298.25	0.23	-52.16
CCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1	REAL300020207354	0	33	-1.0	-44.79	308.73	1.16	-43.63
CCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1	REAL300020207354	1	33	-1.0	-44.67	308.78	1.13	-43.54
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2=CC=CC=C2NC1=O	REAL300020207355	0	37	-1.0	-48.29	338.43	1.03	-47.26
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2=CC=CC=C2NC1=O	REAL300020207355	1	37	-1.0	-48.25	338.48	1.00	-47.25
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)NC2=CC=C(F)C=C12	REAL300020207356	0	36	-1.0	-44.26	335.99	2.75	-41.51
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)NC2=CC=C(F)C=C12	REAL300020207356	1	36	-1.0	-44.24	336.04	2.72	-41.52
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207357	0	36	-1.0	-46.00	338.09	3.95	-42.05
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207357	1	36	-1.0	-46.01	338.15	3.92	-42.09
O=C(C=CCOC1=CC=CC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207358	0	37	-1.0	-46.40	345.96	2.95	-43.45
O=C(C=CCOC1=CC=CC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207358	1	37	-1.0	-46.41	346.01	2.92	-43.49
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(CN2CCOCC2)C=CO1	REAL300020207359	0	42	-1.0	-45.91	370.71	-0.76	-46.67
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(CN2CCOCC2)C=CO1	REAL300020207359	1	42	-1.0	-45.91	370.76	-0.79	-46.70
O=C(CC1CC(=O)NC(=O)C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207360	0	35	-1.0	-52.72	321.87	-1.71	-54.43
O=C(CC1CC(=O)NC(=O)C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207360	1	35	-1.0	-52.69	321.93	-1.73	-54.42
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O=C(CSC1=CC(Cl)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020209101	0	40	-1.0	-48.47	358.20	7.55	-40.92
O=C(CSC1=CC(Cl)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020209101	1	40	-1.0	-48.47	358.26	7.57	-40.90
COC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209102	0	40	-1.0	-50.91	309.47	4.67	-46.24
COC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209102	1	40	-1.0	-50.93	309.51	4.67	-46.26
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209103	0	49	-1.0	-50.80	377.04	9.87	-40.93
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209103	1	49	-1.0	-50.82	377.09	9.87	-40.95
O=C(C1=CC=CC(I)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209104	0	36	-1.0	-47.02	307.76	6.47	-40.55
O=C(C1=CC=CC(I)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209104	1	36	-1.0	-47.01	307.81	6.47	-40.54
COC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209105	0	43	-1.0	-48.99	332.33	5.75	-43.24
COC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209105	1	43	-1.0	-49.01	332.39	5.76	-43.25
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=NNC(=O)C=C1	REAL300020209106	0	45	-1.0	-49.30	354.70	3.72	-45.58
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=NNC(=O)C=C1	REAL300020209106	1	45	-1.0	-49.33	354.75	3.72	-45.61
COC1=CC=CC=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209107	0	44	-1.0	-54.94	340.05	6.29	-48.65
COC1=CC=CC=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209107	1	44	-1.0	-54.94	340.10	6.30	-48.64
O=C(CSC1=CC2=CC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209108	0	46	-1.0	-51.61	367.70	9.21	-42.40
O=C(CSC1=CC2=CC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209108	1	46	-1.0	-51.58	367.76	9.22	-42.36
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C=N2	REAL300020209109	0	48	-1.0	-61.08	377.60	6.51	-54.57
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C=N2	REAL300020209109	1	48	-1.0	-61.07	377.66	6.53	-54.54
O=C(C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020209110	0	51	-1.0	-47.82	399.22	9.87	-37.95
O=C(C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020209110	1	51	-1.0	-47.84	399.17	9.83	-38.01
O=C(CC1=CC=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020209111	0	45	-1.0	-51.00	345.95	8.62	-42.38
O=C(CC1=CC=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020209111	1	45	-1.0	-51.02	346.00	8.64	-42.38
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209112	0	49	-1.0	-49.89	377.22	7.48	-42.41
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209112	1	49	-1.0	-49.88	377.22	7.50	-42.38
O=C(CCCOC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209113	0	46	-1.0	-51.40	359.34	6.49	-44.91
O=C(CCCOC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209113	1	46	-1.0	-51.43	359.40	6.50	-44.93
O=C(C1=CC=C2N=CSC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209114	0	38	-1.0	-49.31	313.45	4.96	-44.35
O=C(C1=CC=C2N=CSC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209114	1	38	-1.0	-49.31	313.42	4.94	-44.37
CCOC1=CC=C(OCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209115	0	53	-1.0	-53.76	405.99	7.10	-46.66
CCOC1=CC=C(OCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209115	1	53	-1.0	-53.76	406.04	7.12	-46.64
CC(=O)C1=C(C)NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020209116	0	45	-1.0	-49.24	350.42	5.37	-43.87
CC(=O)C1=C(C)NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020209116	1	45	-1.0	-49.26	350.46	5.38	-43.88
O=C(C1=CC=C2OCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209117	0	39	-1.0	-48.19	308.33	4.22	-43.97
O=C(C1=CC=C2OCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209117	1	39	-1.0	-48.18	308.37	4.23	-43.95
O=C(C1=CC=C(Br)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209118	0	33	-1.0	-44.95	281.72	4.45	-40.50
O=C(C1=CC=C(Br)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209118	1	33	-1.0	-44.94	281.78	4.46	-40.48
O=C(C1=CC=C(Cl)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209119	0	35	-1.0	-45.42	291.78	3.96	-41.46
O=C(C1=CC=C(Cl)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209119	1	35	-1.0	-45.38	291.75	3.96	-41.42
CCCCCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209120	0	52	-1.0	-47.92	395.49	7.98	-39.94
CCCCCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209120	1	52	-1.0	-48.00	395.53	8.01	-39.99
O=C(C1=CN=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209121	0	35	-1.0	-44.92	296.25	4.14	-40.78
O=C(C1=CN=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209121	1	35	-1.0	-44.94	296.21	4.15	-40.79
O=C(CC1=C(F)C=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020209122	0	39	-1.0	-48.98	322.48	6.92	-42.06
O=C(CC1=C(F)C=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020209122	1	39	-1.0	-48.98	322.53	6.92	-42.06
O=C(C1=CC=CC(Cl)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020209123	0	36	-1.0	-49.16	307.07	6.25	-42.91
O=C(C1=CC=CC(Cl)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020209123	1	36	-1.0	-49.12	307.03	6.28	-42.84
O=C(C1=CC(Cl)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020209124	0	36	-1.0	-46.82	308.47	6.33	-40.49
O=C(C1=CC(Cl)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020209124	1	36	-1.0	-46.85	308.46	6.35	-40.50
O=C(C1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209125	0	36	-1.0	-44.45	313.44	6.39	-38.06
O=C(C1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209125	1	36	-1.0	-44.49	313.48	6.39	-38.10
O=C(CC1=CC=C(Cl)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209126	0	39	-1.0	-49.66	335.19	7.46	-42.20
O=C(CC1=CC=C(Cl)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209126	1	39	-1.0	-49.62	335.24	7.48	-42.14
CCN(CC)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209127	0	50	-1.0	-50.64	373.04	7.61	-43.03
CCN(CC)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209127	1	50	-1.0	-50.68	373.04	7.63	-43.05
COC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1OC	REAL300020209128	0	44	-1.0	-52.81	336.32	5.11	-47.70
COC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1OC	REAL300020209128	1	44	-1.0	-52.80	336.33	5.12	-47.68
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=C1	REAL300020209129	0	44	-1.0	-52.90	335.73	4.56	-48.34
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=C1	REAL300020209129	1	44	-1.0	-52.93	335.69	4.58	-48.35
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1	REAL300020209130	0	44	-1.0	-51.90	338.94	3.98	-47.92
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1	REAL300020209130	1	44	-1.0	-51.86	338.98	3.98	-47.88
CN(C)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209131	0	44	-1.0	-50.30	330.80	5.75	-44.55
CN(C)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209131	1	44	-1.0	-50.32	330.84	5.74	-44.58
CN(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209132	0	44	-1.0	-53.44	327.45	5.58	-47.86
CN(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209132	1	44	-1.0	-53.43	327.49	5.58	-47.85
O=C(C1=CC=C(C2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209133	0	46	-1.0	-49.81	352.24	8.72	-41.09
O=C(C1=CC=C(C2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209133	1	46	-1.0	-49.76	352.24	8.74	-41.02
O=C(CC1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209134	0	39	-1.0	-46.97	319.56	6.97	-40.00
O=C(CC1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209134	1	39	-1.0	-47.01	319.61	6.98	-40.03
O=C(COC1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209135	0	40	-1.0	-50.27	333.62	6.36	-43.91
O=C(COC1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209135	1	40	-1.0	-50.26	333.68	6.38	-43.88
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020209136	0	44	-1.0	-44.68	366.31	7.25	-37.43
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020209136	1	44	-1.0	-44.65	366.37	7.26	-37.39
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL300020209137	0	44	-1.0	-48.08	342.09	5.29	-42.79
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL300020209137	1	44	-1.0	-48.09	342.13	5.31	-42.78
O=C(COC1=CC=CC=C1)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209138	0	47	-1.0	-47.31	370.98	4.77	-42.54
O=C(COC1=CC=CC=C1)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209138	1	47	-1.0	-47.32	371.03	4.78	-42.54
CC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209139	0	47	-1.0	-47.19	366.30	7.81	-39.38
CC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209139	1	47	-1.0	-47.20	366.35	7.82	-39.38
O=C(C1=CC=CC(Cl)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209140	0	35	-1.0	-47.05	290.24	4.93	-42.12
O=C(C1=CC=CC(Cl)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209140	1	35	-1.0	-47.04	290.19	4.90	-42.14
O=C(CCC1=CNC2=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020209141	0	46	-1.0	-53.57	356.13	7.32	-46.25
O=C(CCC1=CNC2=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020209141	1	46	-1.0	-53.56	356.18	7.32	-46.24
CC1=CC(C)=NC(SCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020209142	0	44	-1.0	-53.88	357.05	5.73	-48.15
CC1=CC(C)=NC(SCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020209142	1	44	-1.0	-53.84	357.10	5.74	-48.10
CC1=CC=C(C)C(SCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209143	0	46	-1.0	-48.61	366.36	7.82	-40.79
CC1=CC=C(C)C(SCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209143	1	46	-1.0	-48.62	366.42	7.84	-40.78
O=C(COC1=CC=CC=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020209144	0	42	-1.0	-65.94	342.87	6.98	-58.96
O=C(COC1=CC=CC=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020209144	1	42	-1.0	-65.95	342.93	7.00	-58.95
O=C(C1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209145	0	36	-1.0	-46.16	294.87	5.84	-40.32
O=C(C1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209145	1	36	-1.0	-46.20	294.88	5.85	-40.35
O=C(C=CC1=CC(Cl)=C2OCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209146	0	43	-1.0	-48.56	354.44	6.11	-42.45
O=C(C=CC1=CC(Cl)=C2OCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209146	1	43	-1.0	-48.53	354.49	6.11	-42.42
O=C(CCN1NC(=O)C2=CC=CC=C2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209147	0	48	-1.0	-49.85	379.70	4.35	-45.50
O=C(CCN1NC(=O)C2=CC=CC=C2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209147	1	48	-1.0	-49.87	379.75	4.35	-45.52
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1CC1=CC=CO1	REAL300020209148	0	50	-1.0	-54.73	386.12	8.12	-46.61
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1CC1=CC=CO1	REAL300020209148	1	50	-1.0	-54.77	386.18	8.12	-46.65
CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209149	0	49	-1.0	-52.02	380.30	8.79	-43.23
CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209149	1	49	-1.0	-52.03	380.36	8.81	-43.22
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209150	0	50	-1.0	-46.72	392.47	5.18	-41.54
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209150	1	50	-1.0	-46.70	392.40	5.18	-41.52
O=C(CSC1=CC=C2CCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209151	0	47	-1.0	-50.67	367.15	8.85	-41.82
O=C(CSC1=CC=C2CCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209151	1	47	-1.0	-50.68	367.20	8.86	-41.82
O=C(COC1=CC=C(F)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020209152	0	40	-1.0	-53.37	339.29	6.42	-46.95
O=C(COC1=CC=C(F)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020209152	1	40	-1.0	-53.35	339.35	6.44	-46.91
O=C(NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C1=CC=CS1	REAL300020209153	0	47	-1.0	-55.51	383.30	6.38	-49.13
O=C(NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C1=CC=CS1	REAL300020209153	1	47	-1.0	-55.54	383.34	6.39	-49.15
O=C(CCNC(=O)C1=CSC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209154	0	43	-1.0	-60.98	351.09	3.85	-57.13
O=C(CCNC(=O)C1=CSC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209154	1	43	-1.0	-60.96	351.14	3.87	-57.09
O=C(CCCNC(=O)C1=CSC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209155	0	46	-1.0	-50.06	372.41	4.60	-45.46
O=C(CCCNC(=O)C1=CSC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209155	1	46	-1.0	-50.08	372.46	4.61	-45.47
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)C1=CC=CC=C1	REAL300020209156	0	49	-1.0	-62.36	379.10	6.09	-56.27
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)C1=CC=CC=C1	REAL300020209156	1	49	-1.0	-62.32	379.15	6.11	-56.21
CC(=O)NC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020209157	0	49	-1.0	-48.10	398.84	6.80	-41.30
CC(=O)NC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020209157	1	49	-1.0	-48.13	398.90	6.82	-41.31
CC(=O)NC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL300020209158	0	52	-1.0	-50.74	403.27	6.86	-43.88
CC(=O)NC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL300020209158	1	52	-1.0	-50.71	403.31	6.90	-43.81
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209159	0	45	-1.0	-48.20	373.40	7.86	-40.34
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209159	1	45	-1.0	-48.18	373.46	7.88	-40.30
O=C(C1=CC=C2OCCCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209160	0	45	-1.0	-51.18	345.12	5.50	-45.68
O=C(C1=CC=C2OCCCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209160	1	45	-1.0	-51.19	345.16	5.51	-45.68
O=C(CCCN1C(=O)CNC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209161	0	44	-1.0	-59.17	345.99	2.17	-57.00
O=C(CCCN1C(=O)CNC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209161	1	44	-1.0	-59.15	346.04	2.18	-56.97
O=C(C1=CC=C(C2SCCCS2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209162	0	48	-1.0	-50.20	382.78	8.87	-41.33
O=C(C1=CC=C(C2SCCCS2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209162	1	48	-1.0	-50.13	382.78	8.89	-41.24
COC1=CC=C(SCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209163	0	44	-1.0	-51.46	351.27	6.29	-45.17
COC1=CC=C(SCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209163	1	44	-1.0	-51.48	351.32	6.31	-45.17
CC1=NOC(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209164	0	41	-1.0	-52.00	324.84	4.82	-47.18
CC1=NOC(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209164	1	41	-1.0	-51.97	324.91	4.82	-47.15
O=C(C1=CC=C(F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209165	0	36	-1.0	-47.04	294.97	5.66	-41.38
O=C(C1=CC=C(F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209165	1	36	-1.0	-47.03	295.01	5.68	-41.35
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020209166	0	40	-1.0	-50.58	317.90	4.93	-45.65
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020209166	1	40	-1.0	-50.56	317.94	4.94	-45.62
O=C(C=CC1=NC2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209167	0	42	-1.0	-52.85	336.95	3.99	-48.86
O=C(C=CC1=NC2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209167	1	42	-1.0	-52.87	337.00	4.01	-48.86
O=C(C1=CC=C2OCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209168	0	42	-1.0	-49.99	333.00	2.78	-47.21
O=C(C1=CC=C2OCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209168	1	42	-1.0	-49.93	333.04	2.80	-47.13
CC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020209169	0	44	-1.0	-45.73	362.27	6.63	-39.10
CC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020209169	1	44	-1.0	-45.75	362.33	6.64	-39.11
O=C(C1=CC(Cl)=C2OCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209170	0	39	-1.0	-47.16	322.67	4.56	-42.60
O=C(C1=CC(Cl)=C2OCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209170	1	39	-1.0	-47.19	322.70	4.57	-42.62
O=C(C1=CC=C2SCCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209171	0	45	-1.0	-50.22	358.86	4.94	-45.28
O=C(C1=CC=C2SCCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209171	1	45	-1.0	-50.22	358.90	4.96	-45.26
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209172	0	46	-1.0	-50.24	372.37	6.61	-43.63
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209172	1	46	-1.0	-50.28	372.42	6.63	-43.65
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209173	0	43	-1.0	-44.72	334.55	4.49	-40.23
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209173	1	43	-1.0	-44.73	334.60	4.50	-40.23
CCOC1=CC=C(SCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209174	0	47	-1.0	-51.30	373.12	7.22	-44.08
CCOC1=CC=C(SCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209174	1	47	-1.0	-51.31	373.17	7.24	-44.07
O=C(CCC1=NC2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209175	0	44	-1.0	-52.18	346.56	4.23	-47.95
O=C(CCC1=NC2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209175	1	44	-1.0	-52.23	346.61	4.23	-48.00
O=C(C1=CC(Cl)=C2OCCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209176	0	42	-1.0	-49.78	337.76	5.03	-44.75
O=C(C1=CC(Cl)=C2OCCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209176	1	42	-1.0	-49.83	337.80	5.03	-44.80
O=C(CSC1=CC=C(C(F)(F)F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209177	0	42	-1.0	-46.51	358.36	6.32	-40.19
O=C(CSC1=CC=C(C(F)(F)F)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209177	1	42	-1.0	-46.47	358.31	6.32	-40.15
O=C(C1=CC=C(CN2CCCC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209178	0	50	-1.0	-54.86	385.63	7.10	-47.76
O=C(C1=CC=C(CN2CCCC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209178	1	50	-1.0	-54.86	385.64	7.12	-47.74
O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209179	0	51	-1.0	-54.61	389.41	3.99	-50.62
O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209179	1	51	-1.0	-54.61	389.46	4.00	-50.61
NS(=O)(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209180	0	47	-1.0	-52.27	383.55	1.86	-50.41
NS(=O)(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209180	1	47	-1.0	-52.26	383.61	1.88	-50.38
CNS(=O)(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209181	0	50	-1.0	-51.46	405.98	3.07	-48.39
CNS(=O)(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209181	1	50	-1.0	-51.43	406.04	3.09	-48.34
O=C(CN1C=C(C(F)(F)F)C=CC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209182	0	42	-1.0	-54.99	350.63	5.57	-49.42
O=C(CN1C=C(C(F)(F)F)C=CC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209182	1	42	-1.0	-54.97	350.70	5.57	-49.40
O=C(CCC1=CSC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209183	0	39	-1.0	-46.89	314.47	6.18	-40.71
O=C(CCC1=CSC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209183	1	39	-1.0	-46.90	314.53	6.18	-40.72
O=C(C=CC1=CC=C(N2C=CN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209184	0	47	-1.0	-51.90	367.47	9.32	-42.58
O=C(C=CC1=CC=C(N2C=CN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209184	1	47	-1.0	-51.93	367.52	9.31	-42.62
O=C(C1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209185	0	48	-1.0	-53.08	387.09	3.16	-49.92
O=C(C1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209185	1	48	-1.0	-53.08	387.11	3.18	-49.90
CC1=CC=CC=C1N1C=CN=C1SCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209186	0	50	-1.0	-48.13	404.60	8.84	-39.29
CC1=CC=CC=C1N1C=CN=C1SCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209186	1	50	-1.0	-48.13	404.52	8.83	-39.30
O=C(CCC1=NC2=CC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209187	0	47	-1.0	-48.55	369.81	7.25	-41.30
O=C(CCC1=NC2=CC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209187	1	47	-1.0	-48.53	369.87	7.28	-41.25
CC1=NN(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C(C)=C1Cl	REAL300020209188	0	49	-1.0	-50.21	393.27	8.02	-42.19
CC1=NN(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C(C)=C1Cl	REAL300020209188	1	49	-1.0	-50.15	393.30	8.03	-42.12
O=C(C1=CC=C2NC(=O)COC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209189	0	42	-1.0	-49.11	330.57	2.61	-46.50
O=C(C1=CC=C2NC(=O)COC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209189	1	42	-1.0	-49.12	330.60	2.62	-46.50
O=C(C1=CC=C(N2C=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209190	0	43	-1.0	-51.85	336.43	6.53	-45.32
O=C(C1=CC=C(N2C=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209190	1	43	-1.0	-51.83	336.42	6.52	-45.31
CC1=CC=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=C1	REAL300020209191	0	43	-1.0	-53.74	358.67	7.14	-46.60
CC1=CC=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=C1	REAL300020209191	1	43	-1.0	-53.71	358.73	7.16	-46.55
CON(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209192	0	48	-1.0	-54.78	387.12	3.35	-51.43
CON(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209192	1	48	-1.0	-54.76	387.15	3.35	-51.41
O=C(COCC1=NC2=CC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209193	0	45	-1.0	-57.64	374.11	5.76	-51.88
O=C(COCC1=NC2=CC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209193	1	45	-1.0	-57.65	374.17	5.77	-51.88
O=C(C1=CC(Cl)=C2OCCCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209194	0	45	-1.0	-49.91	361.16	6.04	-43.87
O=C(C1=CC(Cl)=C2OCCCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209194	1	45	-1.0	-49.93	361.21	6.05	-43.88
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020209195	0	56	-1.0	-55.38	404.64	6.45	-48.93
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020209195	1	56	-1.0	-55.35	404.69	6.45	-48.90
O=C(C1=CC2=CC=C(F)C=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209196	0	39	-1.0	-47.93	322.55	7.01	-40.92
O=C(C1=CC2=CC=C(F)C=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209196	1	39	-1.0	-47.92	322.60	7.03	-40.89
CCC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209197	0	46	-1.0	-49.41	354.94	8.36	-41.05
CCC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209197	1	46	-1.0	-49.46	354.99	8.37	-41.09
COC1=CC=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1OC(F)F	REAL300020209198	0	48	-1.0	-57.01	381.22	6.51	-50.50
COC1=CC=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1OC(F)F	REAL300020209198	1	48	-1.0	-57.01	381.29	6.54	-50.47
CN1CC(=O)N(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020209199	0	47	-1.0	-58.10	368.40	4.57	-53.53
CN1CC(=O)N(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020209199	1	47	-1.0	-58.14	368.45	4.57	-53.57
CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020209200	0	43	-1.0	-62.26	337.57	7.16	-55.10
CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020209200	1	43	-1.0	-62.35	337.72	7.14	-55.21
O=C(CC1=CC=C(OC(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209201	0	43	-1.0	-53.06	342.09	6.03	-47.03
O=C(CC1=CC=C(OC(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209201	1	43	-1.0	-53.03	342.14	6.04	-46.99
O=C(C1=CC=C(F)C=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020209202	0	36	-1.0	-45.60	302.22	5.95	-39.65
O=C(C1=CC=C(F)C=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020209202	1	36	-1.0	-45.54	302.17	5.96	-39.58
CS(=O)(=O)N1CCC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020209203	0	48	-1.0	-55.44	380.46	4.28	-51.16
CS(=O)(=O)N1CCC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020209203	1	48	-1.0	-55.39	380.51	4.29	-51.10
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=C1OCCO2	REAL300020209204	0	46	-1.0	-51.31	355.91	4.57	-46.74
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=C1OCCO2	REAL300020209204	1	46	-1.0	-51.36	355.96	4.60	-46.76
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020209205	0	40	-1.0	-49.75	332.08	5.53	-44.22
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020209205	1	40	-1.0	-49.71	332.12	5.54	-44.17
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=CC=C1F	REAL300020209206	0	46	-1.0	-54.73	358.88	7.18	-47.55
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=CC=C1F	REAL300020209206	1	46	-1.0	-54.76	358.93	7.18	-47.58
O=C(C=CC1=C(Cl)C2=CC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209207	0	43	-1.0	-51.62	363.82	8.83	-42.79
O=C(C=CC1=C(Cl)C2=CC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209207	1	43	-1.0	-51.64	363.87	8.85	-42.79
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)S1	REAL300020209208	0	39	-1.0	-49.33	305.41	5.73	-43.60
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)S1	REAL300020209208	1	39	-1.0	-49.33	305.44	5.75	-43.58
NC(=O)NCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209209	0	44	-1.0	-57.53	339.81	0.57	-56.96
NC(=O)NCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209209	1	44	-1.0	-57.51	339.86	0.57	-56.94
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CC(C)(C)OC(=O)NCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209248	1	49	-1.0	-54.38	369.64	3.21	-51.17
CC1=CC=NN1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209249	0	46	-1.0	-53.02	354.77	6.93	-46.09
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O=C(C1=NC(Cl)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020209263	1	35	-1.0	-46.79	302.42	5.36	-41.43
O=C(C1=CC(Cl)=NC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209264	0	35	-1.0	-43.74	310.71	4.65	-39.09
O=C(C1=CC(Cl)=NC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209264	1	35	-1.0	-43.69	310.66	4.65	-39.04
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020209265	0	45	-1.0	-50.12	362.66	6.91	-43.21
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020209265	1	45	-1.0	-50.13	362.62	6.91	-43.22
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2=CC=CS2)=N1	REAL300020209266	0	42	-1.0	-49.72	357.44	6.03	-43.69
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2=CC=CS2)=N1	REAL300020209266	1	42	-1.0	-49.75	357.41	6.03	-43.72
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2=CC=C(F)C=C2)=N1	REAL300020209267	0	45	-1.0	-49.51	369.10	7.10	-42.41
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2=CC=C(F)C=C2)=N1	REAL300020209267	1	45	-1.0	-49.51	369.03	7.08	-42.43
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SN=N1	REAL300020209268	0	37	-1.0	-44.46	300.94	3.56	-40.90
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SN=N1	REAL300020209268	1	37	-1.0	-44.41	300.98	3.57	-40.84
NC(=O)COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209269	0	44	-1.0	-57.33	346.13	2.72	-54.61
NC(=O)COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209269	1	44	-1.0	-57.36	346.14	2.75	-54.61
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209270	0	45	-1.0	-48.84	352.77	6.23	-42.61
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209270	1	45	-1.0	-48.85	352.82	6.23	-42.62
O=C(C1CC(=O)N(C2=CC=CC=C2Cl)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209271	0	47	-1.0	-62.09	373.03	7.70	-54.39
O=C(C1CC(=O)N(C2=CC=CC=C2Cl)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209271	1	47	-1.0	-62.09	373.12	7.71	-54.38
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC2=CC=CC(F)=C21	REAL300020209272	0	42	-1.0	-52.90	336.46	7.78	-45.12
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC2=CC=CC(F)=C21	REAL300020209272	1	42	-1.0	-52.90	336.45	7.79	-45.11
O=C(C1=CC(F)=C(Cl)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020209273	0	36	-1.0	-43.72	314.28	6.37	-37.35
O=C(C1=CC(F)=C(Cl)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020209273	1	36	-1.0	-43.70	314.27	6.40	-37.30
COCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC2=CC=CC(F)=C21	REAL300020209274	0	46	-1.0	-54.55	370.23	6.83	-47.72
COCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC2=CC=CC(F)=C21	REAL300020209274	1	46	-1.0	-54.57	370.23	6.84	-47.73
O=C(C1=CN2C=CC=CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209275	0	39	-1.0	-54.24	306.22	6.74	-47.50
O=C(C1=CN2C=CC=CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209275	1	39	-1.0	-54.21	306.17	6.73	-47.48
O=C(C1=CC2=CC([N+](=O)[O-])=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209276	0	41	-1.0	-51.75	344.26	7.63	-44.12
O=C(C1=CC2=CC([N+](=O)[O-])=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209276	1	41	-1.0	-51.75	344.31	7.66	-44.09
O=C(C=CC1=C(Cl)N=C2SC=CN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020209277	0	40	-1.0	-48.93	346.49	7.03	-41.90
O=C(C=CC1=C(Cl)N=C2SC=CN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020209277	1	40	-1.0	-48.95	346.54	7.03	-41.92
CN1C2=C(C=CC=C2)C2=C1SC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020209278	0	46	-1.0	-56.67	369.85	8.53	-48.14
CN1C2=C(C=CC=C2)C2=C1SC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020209278	1	46	-1.0	-56.70	369.91	8.55	-48.15
O=C(CN1N=C(C2=CC=CC=C2)OC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209279	0	45	-1.0	-55.22	370.43	4.04	-51.18
O=C(CN1N=C(C2=CC=CC=C2)OC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209279	1	45	-1.0	-55.26	370.37	4.02	-51.24
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020209280	0	39	-1.0	-48.08	306.60	6.08	-42.00
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020209280	1	39	-1.0	-48.04	306.63	6.09	-41.95
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209281	0	47	-1.0	-51.78	371.54	8.15	-43.63
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209281	1	47	-1.0	-51.82	371.59	8.17	-43.65
O=C(C1=CC=C(C2=CC=CC=C2Cl)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209282	0	43	-1.0	-49.94	355.95	8.04	-41.90
O=C(C1=CC=C(C2=CC=CC=C2Cl)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209282	1	43	-1.0	-49.99	356.01	8.05	-41.94
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209283	0	42	-1.0	-48.55	359.75	7.52	-41.03
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209283	1	42	-1.0	-48.56	359.69	7.52	-41.04
CC(C)N1N=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL300020209284	0	54	-1.0	-53.94	409.22	8.00	-45.94
CC(C)N1N=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL300020209284	1	54	-1.0	-53.97	409.26	8.01	-45.96
O=C(C1=CC(C2=CC=CC=C2)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209285	0	43	-1.0	-47.84	337.97	5.72	-42.12
O=C(C1=CC(C2=CC=CC=C2)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209285	1	43	-1.0	-47.88	338.02	5.73	-42.15
COC1=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1	REAL300020209286	0	48	-1.0	-51.77	370.60	5.52	-46.25
COC1=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1	REAL300020209286	1	48	-1.0	-51.76	370.65	5.53	-46.23
O=C(CN1CCSC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209287	0	38	-1.0	-62.42	307.15	3.79	-58.63
O=C(CN1CCSC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209287	1	38	-1.0	-62.39	307.20	3.80	-58.59
O=C(C1=CC2=C(CCCCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209288	0	46	-1.0	-51.75	350.19	7.83	-43.92
O=C(C1=CC2=C(CCCCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209288	1	46	-1.0	-51.78	350.23	7.85	-43.93
O=C(C1=CC2=C(CCCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209289	0	43	-1.0	-51.60	332.88	7.22	-44.38
O=C(C1=CC2=C(CCCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209289	1	43	-1.0	-51.63	332.93	7.25	-44.38
O=C(C1=CC2=C(CCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209290	0	40	-1.0	-49.36	316.51	6.39	-42.97
O=C(C1=CC2=C(CCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209290	1	40	-1.0	-49.35	316.57	6.39	-42.96
O=C(C1=CC=C(C2=CC=C(F)C=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209291	0	43	-1.0	-48.78	355.01	8.09	-40.69
O=C(C1=CC=C(C2=CC=C(F)C=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209291	1	43	-1.0	-48.78	355.06	8.10	-40.68
CCCCC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209292	0	51	-1.0	-48.46	388.71	9.45	-39.01
CCCCC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209292	1	51	-1.0	-48.42	388.77	9.46	-38.96
O=C(C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209293	0	44	-1.0	-55.37	357.01	8.99	-46.38
O=C(C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209293	1	44	-1.0	-55.32	356.98	8.98	-46.34
O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209294	0	44	-1.0	-57.12	351.67	2.80	-54.32
O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209294	1	44	-1.0	-57.12	351.70	2.80	-54.32
CC1=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL300020209295	0	54	-1.0	-53.00	419.78	10.94	-42.06
CC1=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL300020209295	1	54	-1.0	-53.01	419.83	10.96	-42.05
O=C(C1=NC2=CC=CC=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209296	0	40	-1.0	-51.41	314.67	4.63	-46.78
O=C(C1=NC2=CC=CC=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209296	1	40	-1.0	-51.37	314.61	4.61	-46.76
O=C(CC12CC3CC(CC(O)(C3)C1)C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020209297	0	54	-1.0	-46.59	367.60	5.10	-41.49
O=C(CC12CC3CC(CC(O)(C3)C1)C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020209297	1	54	-1.0	-46.59	367.63	5.12	-41.47
O=C(C1=CC=C(SC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209298	0	40	-1.0	-46.62	334.42	6.72	-39.90
O=C(C1=CC=C(SC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209298	1	40	-1.0	-46.62	334.41	6.73	-39.89
COC1=CC=C2OC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(C)C2=C1	REAL300020209299	0	46	-1.0	-49.80	354.18	6.01	-43.79
COC1=CC=C2OC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(C)C2=C1	REAL300020209299	1	46	-1.0	-49.80	354.24	6.02	-43.78
CC(=O)CCC1=CC=C2OC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(C)C2=C1	REAL300020209300	0	53	-1.0	-51.32	412.08	8.87	-42.45
CC(=O)CCC1=CC=C2OC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(C)C2=C1	REAL300020209300	1	53	-1.0	-51.30	412.13	8.87	-42.43
CCOC1=CC=C2OC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(C)C2=C1	REAL300020209301	0	49	-1.0	-49.50	376.04	6.95	-42.55
CCOC1=CC=C2OC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(C)C2=C1	REAL300020209301	1	49	-1.0	-49.55	376.09	6.94	-42.61
COCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC2=CC=CC=C21	REAL300020209302	0	46	-1.0	-50.49	358.39	5.87	-44.62
COCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC2=CC=CC=C21	REAL300020209302	1	46	-1.0	-50.50	358.44	5.87	-44.63
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC2=CC=C(F)C=C21	REAL300020209303	0	42	-1.0	-46.80	331.52	6.86	-39.94
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC2=CC=C(F)C=C21	REAL300020209303	1	42	-1.0	-46.84	331.57	6.86	-39.98
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC2=C(F)C=CC=C12	REAL300020209304	0	42	-1.0	-49.21	331.06	6.79	-42.42
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC2=C(F)C=CC=C12	REAL300020209304	1	42	-1.0	-49.18	331.11	6.80	-42.38
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC2=CC=C(Cl)C=C21	REAL300020209305	0	42	-1.0	-46.53	341.74	7.32	-39.21
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC2=CC=C(Cl)C=C21	REAL300020209305	1	42	-1.0	-46.57	341.79	7.32	-39.25
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020209306	0	56	-1.0	-46.82	404.22	6.37	-40.45
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020209306	1	56	-1.0	-46.87	404.27	6.39	-40.48
CCC1=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020209307	0	49	-1.0	-50.62	385.18	9.02	-41.60
CCC1=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020209307	1	49	-1.0	-50.68	385.23	9.02	-41.66
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209308	0	49	-1.0	-49.67	388.22	8.10	-41.57
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209308	1	49	-1.0	-49.65	388.16	8.08	-41.57
O=C(CCCC1=CC=C(Br)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209309	0	42	-1.0	-50.87	358.07	7.90	-42.97
O=C(CCCC1=CC=C(Br)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209309	1	42	-1.0	-50.89	358.12	7.92	-42.97
CC(C)(C)OC(=O)NCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209310	0	52	-1.0	-48.88	391.09	4.00	-44.88
CC(C)(C)OC(=O)NCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209310	1	52	-1.0	-48.90	391.14	4.00	-44.90
O=C(CCSC1=NC2=CC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209311	0	45	-1.0	-52.67	383.42	7.05	-45.62
O=C(CCSC1=NC2=CC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209311	1	45	-1.0	-52.67	383.35	7.04	-45.63
CC(=O)N1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC2=CC=CC=C21	REAL300020209312	0	48	-1.0	-52.74	363.56	5.85	-46.89
CC(=O)N1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC2=CC=CC=C21	REAL300020209312	1	48	-1.0	-52.73	363.62	5.85	-46.88
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209313	0	47	-1.0	-57.69	368.53	6.57	-51.12
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209313	1	47	-1.0	-57.72	368.48	6.57	-51.15
CC(C)(C)C1=CC=CC=C1OCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209314	0	52	-1.0	-50.12	388.02	8.35	-41.77
CC(C)(C)C1=CC=CC=C1OCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209314	1	52	-1.0	-50.12	388.08	8.37	-41.75
CC1=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020209315	0	39	-1.0	-52.59	311.57	3.04	-49.55
CC1=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020209315	1	39	-1.0	-52.63	311.63	3.04	-49.59
COC1=CC=C(OC)C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209316	0	47	-1.0	-49.54	360.92	5.09	-44.45
COC1=CC=C(OC)C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209316	1	47	-1.0	-49.53	360.97	5.10	-44.43
CC1(C)NC(=O)N(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020209317	0	50	-1.0	-58.47	388.10	3.61	-54.86
CC1(C)NC(=O)N(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020209317	1	50	-1.0	-58.49	388.15	3.63	-54.86
O=C(C1=CC=C(N2C=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209318	0	44	-1.0	-48.30	338.88	8.08	-40.22
O=C(C1=CC=C(N2C=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209318	1	44	-1.0	-48.31	338.86	8.11	-40.20
O=C(CN1C=CC(=O)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209319	0	39	-1.0	-59.30	316.60	1.86	-57.44
O=C(CN1C=CC(=O)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209319	1	39	-1.0	-59.31	316.67	1.86	-57.45
CC1=CC=C(C2=NC(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CS2)C=C1	REAL300020209320	0	48	-1.0	-54.94	393.08	7.74	-47.20
CC1=CC=C(C2=NC(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CS2)C=C1	REAL300020209320	1	48	-1.0	-54.93	393.02	7.71	-47.22
CC1=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C(C#N)C(=O)N1	REAL300020209321	0	49	-1.0	-51.86	381.09	5.42	-46.44
CC1=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C(C#N)C(=O)N1	REAL300020209321	1	49	-1.0	-51.81	381.14	5.44	-46.37
O=C(C1=C(Cl)C2=C(SC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209322	0	36	-1.0	-48.94	318.07	6.20	-42.74
O=C(C1=C(Cl)C2=C(SC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209322	1	36	-1.0	-48.96	318.13	6.20	-42.76
CC1=CC=CC(C2=NC(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CS2)=C1	REAL300020209323	0	48	-1.0	-54.34	392.86	7.69	-46.65
CC1=CC=CC(C2=NC(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CS2)=C1	REAL300020209323	1	48	-1.0	-54.33	392.79	7.68	-46.65
O=C(CN1C=NC2=C(OC3=CC=CC=C32)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209324	0	47	-1.0	-64.64	381.22	7.01	-57.63
O=C(CN1C=NC2=C(OC3=CC=CC=C32)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209324	1	47	-1.0	-64.65	381.15	7.00	-57.65
COC1=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1	REAL300020209325	0	50	-1.0	-50.84	383.50	5.86	-44.98
COC1=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1	REAL300020209325	1	50	-1.0	-50.86	383.55	5.86	-45.00
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020209326	0	43	-1.0	-49.15	329.64	5.42	-43.73
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020209326	1	43	-1.0	-49.13	329.68	5.43	-43.70
O=C(COC1=CC=C(N2CCCC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209327	0	51	-1.0	-57.53	389.89	7.14	-50.39
O=C(COC1=CC=C(N2CCCC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209327	1	51	-1.0	-57.54	389.94	7.15	-50.39
O=C(CCC1=CC=C(C2=CC=CC=C2F)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209328	0	49	-1.0	-51.53	397.98	8.87	-42.66
O=C(CCC1=CC=C(C2=CC=CC=C2F)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209328	1	49	-1.0	-51.54	398.04	8.90	-42.64
O=C(C1COC2=CC=CC=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209329	0	44	-1.0	-47.94	329.56	6.15	-41.79
O=C(C1COC2=CC=CC=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209329	1	44	-1.0	-47.99	329.61	6.16	-41.83
CC(=O)C1=C(C)OC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209330	0	47	-1.0	-48.45	372.99	6.38	-42.07
CC(=O)C1=C(C)OC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209330	1	47	-1.0	-48.48	373.06	6.41	-42.07
CC1=NN(C)C(C)=C1C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209331	0	44	-1.0	-51.08	337.85	4.25	-46.83
CC1=NN(C)C(C)=C1C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209331	1	44	-1.0	-51.05	337.91	4.27	-46.78
O=C(C1COC2=CC=C(Cl)C=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209332	0	44	-1.0	-46.98	346.30	6.65	-40.33
O=C(C1COC2=CC=C(Cl)C=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209332	1	44	-1.0	-47.00	346.35	6.65	-40.35
CC1=NC(C2=CNC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=CS1	REAL300020209333	0	43	-1.0	-62.11	352.88	5.06	-57.05
CC1=NC(C2=CNC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=CS1	REAL300020209333	1	43	-1.0	-62.11	352.97	5.07	-57.04
CC1=NN(CC(C)C)C(C)=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209334	0	57	-1.0	-48.90	425.13	7.56	-41.34
CC1=NN(CC(C)C)C(C)=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209334	1	57	-1.0	-48.89	425.19	7.58	-41.31
CC1=NNC(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209335	0	42	-1.0	-51.80	328.20	3.59	-48.21
CC1=NNC(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209335	1	42	-1.0	-51.80	328.26	3.60	-48.20
O=C(C1=CC2=CC=CC=C2C(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209336	0	42	-1.0	-46.54	328.49	5.10	-41.44
O=C(C1=CC2=CC=CC=C2C(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209336	1	42	-1.0	-46.56	328.53	5.09	-41.47
O=C(CCC1=NC2=CC=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209337	0	45	-1.0	-48.57	355.36	5.56	-43.01
O=C(CCC1=NC2=CC=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209337	1	45	-1.0	-48.60	355.42	5.56	-43.04
CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209338	0	48	-1.0	-60.34	374.80	7.56	-52.78
CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209338	1	48	-1.0	-60.32	374.86	7.57	-52.75
O=C(C1=CC2=C(S1)C1=C(C=CC=C1)S2)N1CCCCC1CC1=N[N-]N=N1	REAL300020209339	0	42	-1.0	-49.92	355.29	8.24	-41.68
O=C(C1=CC2=C(S1)C1=C(C=CC=C1)S2)N1CCCCC1CC1=NN=N[N-]1	REAL300020209339	1	42	-1.0	-49.89	355.34	8.24	-41.65
O=C(CCC1=NC(C2=CSC=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209340	0	44	-1.0	-48.21	365.38	4.79	-43.42
O=C(CCC1=NC(C2=CSC=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209340	1	44	-1.0	-48.23	365.33	4.78	-43.45
CC(=O)C1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)O2)C=C1	REAL300020209341	0	48	-1.0	-53.05	379.37	7.84	-45.21
CC(=O)C1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)O2)C=C1	REAL300020209341	1	48	-1.0	-53.04	379.43	7.86	-45.18
O=C(C1=CC=C(C2=NC3=CC=CC=C3S2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209342	0	45	-1.0	-51.89	373.85	7.05	-44.84
O=C(C1=CC=C(C2=NC3=CC=CC=C3S2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209342	1	45	-1.0	-51.91	373.80	7.05	-44.86
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC2=C1C=CC1=C2C=CC=C1	REAL300020209343	0	48	-1.0	-51.03	371.02	9.06	-41.97
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC2=C1C=CC1=C2C=CC=C1	REAL300020209343	1	48	-1.0	-51.02	371.08	9.07	-41.95
CN(C)C1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209344	0	50	-1.0	-47.48	381.88	7.33	-40.15
CN(C)C1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209344	1	50	-1.0	-47.41	381.95	7.34	-40.07
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC2=CC=CC=C21	REAL300020209345	0	42	-1.0	-49.38	324.64	6.74	-42.64
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC2=CC=CC=C21	REAL300020209345	1	42	-1.0	-49.33	324.69	6.74	-42.59
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209346	0	52	-1.0	-54.51	405.51	8.24	-46.27
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209346	1	52	-1.0	-54.49	405.57	8.24	-46.25
CCOC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209347	0	47	-1.0	-50.91	365.89	4.33	-46.58
CCOC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209347	1	47	-1.0	-50.89	365.94	4.34	-46.55
CC(=O)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020209348	0	46	-1.0	-50.56	333.67	4.54	-46.02
CC(=O)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020209348	1	46	-1.0	-50.57	333.73	4.55	-46.02
CCS(=O)(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020209349	0	50	-1.0	-50.18	377.90	3.05	-47.13
CCS(=O)(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020209349	1	50	-1.0	-50.20	377.95	3.05	-47.15
O=C(CC1=CSC(N2CCCC2=O)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209350	0	46	-1.0	-61.55	375.94	5.52	-56.03
O=C(CC1=CSC(N2CCCC2=O)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209350	1	46	-1.0	-61.56	376.00	5.55	-56.01
O=C(NC1=CC=CC=C1)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020209351	0	55	-1.0	-50.06	405.96	7.17	-42.89
O=C(NC1=CC=CC=C1)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020209351	1	55	-1.0	-50.08	406.01	7.19	-42.89
CON(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209352	0	48	-1.0	-49.27	385.26	3.30	-45.97
CON(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209352	1	48	-1.0	-49.25	385.26	3.31	-45.94
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020209353	0	45	-1.0	-53.58	374.49	7.30	-46.28
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020209353	1	45	-1.0	-53.64	374.55	7.32	-46.32
CC1=CC2=CC=CC=C2N1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209354	0	46	-1.0	-52.10	360.16	7.93	-44.17
CC1=CC2=CC=CC=C2N1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209354	1	46	-1.0	-52.10	360.23	7.95	-44.15
O=C(C1CCS(=O)(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209355	0	39	-1.0	-52.32	303.56	1.18	-51.14
O=C(C1CCS(=O)(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209355	1	39	-1.0	-52.35	303.61	1.18	-51.17
O=C(C1=CC=C2C(=O)N3CCCC3=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209356	0	48	-1.0	-55.34	372.13	6.69	-48.65
O=C(C1=CC=C2C(=O)N3CCCC3=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209356	1	48	-1.0	-55.35	372.16	6.70	-48.65
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209357	0	53	-1.0	-51.86	413.40	9.21	-42.65
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209357	1	53	-1.0	-51.89	413.45	9.23	-42.66
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC2=C1C(=O)N1CCCC1=N2	REAL300020209358	0	48	-1.0	-61.52	376.76	6.88	-54.64
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC2=C1C(=O)N1CCCC1=N2	REAL300020209358	1	48	-1.0	-61.46	376.75	6.89	-54.57
O=C(C1=CC(N2CCCC2)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209359	0	47	-1.0	-51.36	351.57	5.01	-46.35
O=C(C1=CC(N2CCCC2)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209359	1	47	-1.0	-51.36	351.62	5.01	-46.35
CC1=NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2N=C1C	REAL300020209360	0	46	-1.0	-52.80	354.89	4.93	-47.87
CC1=NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2N=C1C	REAL300020209360	1	46	-1.0	-52.80	354.91	4.92	-47.88
O=C(CC1=CSC(C2=CC=CN=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209361	0	44	-1.0	-56.64	366.46	5.26	-51.38
O=C(CC1=CSC(C2=CC=CN=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209361	1	44	-1.0	-56.63	366.40	5.25	-51.38
O=C(CC1=CSC(C2=CC=CS2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209362	0	42	-1.0	-55.31	363.28	6.08	-49.23
O=C(CC1=CSC(C2=CC=CS2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209362	1	42	-1.0	-55.37	363.22	6.06	-49.31
CCC1=CC=C(C2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CS2)C=C1	REAL300020209363	0	48	-1.0	-49.90	385.91	8.45	-41.45
CCC1=CC=C(C2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CS2)C=C1	REAL300020209363	1	48	-1.0	-49.86	385.85	8.44	-41.42
CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020209364	0	39	-1.0	-49.11	312.40	5.91	-43.20
CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020209364	1	39	-1.0	-49.13	312.45	5.92	-43.21
O=C(CCN1C=NC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020209365	0	45	-1.0	-48.20	356.67	7.65	-40.55
O=C(CCN1C=NC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020209365	1	45	-1.0	-48.21	356.73	7.66	-40.55
O=C(C1CC2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209366	0	41	-1.0	-55.88	313.59	6.21	-49.67
O=C(C1CC2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209366	1	41	-1.0	-55.82	313.65	6.22	-49.60
O=C(C1CCCN(C2=CN=CC=N2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209367	0	49	-1.0	-53.74	363.41	4.28	-49.46
O=C(C1CCCN(C2=CN=CC=N2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209367	1	49	-1.0	-53.70	363.35	4.26	-49.44
O=C(CN1C=C(Br)C(=O)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209368	0	39	-1.0	-56.92	337.42	2.49	-54.43
O=C(CN1C=C(Br)C(=O)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209368	1	39	-1.0	-56.91	337.48	2.52	-54.39
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC2=C1C(=O)N(C)C=N2	REAL300020209369	0	44	-1.0	-59.45	350.05	5.60	-53.85
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC2=C1C(=O)N(C)C=N2	REAL300020209369	1	44	-1.0	-59.83	350.49	5.50	-54.33
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209370	0	47	-1.0	-51.48	375.76	3.23	-48.25
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209370	1	47	-1.0	-51.47	375.81	3.23	-48.24
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020209371	0	45	-1.0	-51.31	366.88	2.08	-49.23
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020209371	1	45	-1.0	-51.30	366.94	2.08	-49.22
COC(=O)C1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)NC(C(C)=O)=C1C	REAL300020209372	0	51	-1.0	-61.64	411.30	5.56	-56.08
COC(=O)C1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)NC(C(C)=O)=C1C	REAL300020209372	1	51	-1.0	-61.62	411.37	5.57	-56.05
O=C(CCN1C(=O)CCC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209373	0	42	-1.0	-58.31	329.56	3.91	-54.40
O=C(CCN1C(=O)CCC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209373	1	42	-1.0	-58.34	329.62	3.91	-54.43
CC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020209374	0	38	-1.0	-47.46	315.25	4.97	-42.49
CC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020209374	1	38	-1.0	-47.48	315.30	4.98	-42.50
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020209375	0	50	-1.0	-48.34	390.93	9.39	-38.95
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020209375	1	50	-1.0	-48.31	390.98	9.40	-38.91
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209376	0	51	-1.0	-55.21	390.34	9.02	-46.19
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209376	1	51	-1.0	-55.20	390.40	9.03	-46.17
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209377	0	53	-1.0	-47.64	382.40	7.92	-39.72
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209377	1	53	-1.0	-47.70	382.45	7.95	-39.75
O=C(CCN1CCSC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209378	0	41	-1.0	-60.13	327.99	4.18	-55.95
O=C(CCN1CCSC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209378	1	41	-1.0	-60.16	328.05	4.19	-55.97
O=C(CN1C2=CC=CC=C2OCCC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209379	0	48	-1.0	-51.31	369.86	5.53	-45.78
O=C(CN1C2=CC=CC=C2OCCC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209379	1	48	-1.0	-51.28	369.93	5.55	-45.73
CN1CC(=O)N(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020209380	0	41	-1.0	-55.70	330.31	2.95	-52.75
CN1CC(=O)N(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020209380	1	41	-1.0	-55.64	330.37	2.97	-52.67
O=C(C1=CC(F)=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020209381	0	36	-1.0	-46.28	302.03	5.99	-40.29
O=C(C1=CC(F)=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020209381	1	36	-1.0	-46.33	302.03	6.01	-40.32
CC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020209382	0	50	-1.0	-47.05	383.08	8.28	-38.77
CC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020209382	1	50	-1.0	-47.05	383.13	8.28	-38.77
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OCC(N)=O	REAL300020209383	0	48	-1.0	-58.42	377.35	2.56	-55.86
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OCC(N)=O	REAL300020209383	1	48	-1.0	-58.42	377.39	2.57	-55.85
O=C(CN1C(=O)C=NC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020209384	0	44	-1.0	-53.79	350.17	4.75	-49.04
O=C(CN1C(=O)C=NC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020209384	1	44	-1.0	-53.81	350.11	4.75	-49.06
O=C(CN1CSCC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209385	0	38	-1.0	-48.17	307.37	3.76	-44.41
O=C(CN1CSCC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209385	1	38	-1.0	-48.18	307.43	3.76	-44.42
O=C(CN1C=NC2=C(C=CS2)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209386	0	41	-1.0	-58.26	344.19	5.64	-52.62
O=C(CN1C=NC2=C(C=CS2)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209386	1	41	-1.0	-58.31	344.12	5.62	-52.69
O=C(CCN1C=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020209387	0	46	-1.0	-46.02	361.92	8.04	-37.98
O=C(CCN1C=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020209387	1	46	-1.0	-46.02	361.99	8.05	-37.97
O=C(CC1=NOC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020209388	0	41	-1.0	-55.76	331.28	5.42	-50.34
O=C(CC1=NOC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020209388	1	41	-1.0	-55.78	331.34	5.44	-50.34
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209389	0	49	-1.0	-47.31	383.88	1.61	-45.70
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209389	1	49	-1.0	-47.32	383.90	1.61	-45.71
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209390	0	49	-1.0	-52.75	392.68	6.49	-46.26
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209390	1	49	-1.0	-52.73	392.74	6.50	-46.23
CCC1=C(C)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020209391	0	42	-1.0	-50.98	330.90	6.72	-44.26
CCC1=C(C)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020209391	1	42	-1.0	-51.02	330.94	6.75	-44.27
O=C(C1=CC2=C(CCCCCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209392	0	49	-1.0	-49.70	358.26	7.85	-41.85
O=C(C1=CC2=C(CCCCCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209392	1	49	-1.0	-49.65	358.31	7.86	-41.79
CCCC1=C(CC)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020209393	0	48	-1.0	-48.52	373.45	7.99	-40.53
CCCC1=C(CC)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020209393	1	48	-1.0	-48.54	373.51	7.98	-40.56
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)C1	REAL300020209394	0	55	-1.0	-48.65	403.31	9.06	-39.59
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)C1	REAL300020209394	1	55	-1.0	-48.61	403.37	9.05	-39.56
CC1CCC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)C1	REAL300020209395	0	46	-1.0	-49.01	354.67	7.73	-41.28
CC1CCC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)C1	REAL300020209395	1	46	-1.0	-48.96	354.72	7.75	-41.21
CCCC1=C(C)SC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209396	0	45	-1.0	-51.69	352.42	7.47	-44.22
CCCC1=C(C)SC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209396	1	45	-1.0	-51.70	352.47	7.49	-44.21
O=C(C1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020209397	0	38	-1.0	-45.02	320.11	6.46	-38.56
O=C(C1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020209397	1	38	-1.0	-45.00	320.07	6.47	-38.53
O=C(C1=C(Cl)C2=CC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209398	0	39	-1.0	-50.99	331.11	7.18	-43.81
O=C(C1=C(Cl)C2=CC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209398	1	39	-1.0	-51.00	331.17	7.19	-43.81
O=C(C1=C(Cl)C2=CC=C(Cl)C=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209399	0	39	-1.0	-49.25	347.05	7.09	-42.16
O=C(C1=C(Cl)C2=CC=C(Cl)C=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209399	1	39	-1.0	-49.24	346.96	7.08	-42.16
O=C(C1=C(Cl)C2=CC=C(F)C=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209400	0	39	-1.0	-49.23	336.42	6.64	-42.59
O=C(C1=C(Cl)C2=CC=C(F)C=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209400	1	39	-1.0	-49.21	336.66	6.65	-42.56
CCCCN1N=C(C)C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020209401	0	52	-1.0	-48.15	418.05	8.13	-40.02
CCCCN1N=C(C)C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020209401	1	52	-1.0	-48.13	418.09	8.13	-40.00
CN1C=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020209402	0	40	-1.0	-51.37	315.33	4.76	-46.61
CN1C=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020209402	1	40	-1.0	-51.37	315.38	4.77	-46.60
O=C(C1=CN(CC2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209403	0	46	-1.0	-50.05	361.68	7.01	-43.04
O=C(C1=CN(CC2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209403	1	46	-1.0	-50.11	361.71	7.02	-43.09
O=C(C1=CN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209404	0	43	-1.0	-50.90	338.03	6.27	-44.63
O=C(C1=CN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209404	1	43	-1.0	-50.83	337.98	6.25	-44.58
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020209405	0	39	-1.0	-48.54	306.16	6.26	-42.28
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020209405	1	39	-1.0	-48.57	306.20	6.27	-42.30
O=C(C1=CNC2=CC([N+](=O)[O-])=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020209406	0	42	-1.0	-51.32	339.59	6.04	-45.28
O=C(C1=CNC2=CC([N+](=O)[O-])=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020209406	1	42	-1.0	-51.25	339.61	6.05	-45.20
O=C(C1=CC=NC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209407	0	35	-1.0	-45.67	291.78	4.06	-41.61
O=C(C1=CC=NC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209407	1	35	-1.0	-45.64	291.75	4.05	-41.59
CC1=C(C)C2=C(N=CN(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=O)S1	REAL300020209408	0	47	-1.0	-64.22	377.15	7.41	-56.81
CC1=C(C)C2=C(N=CN(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=O)S1	REAL300020209408	1	47	-1.0	-64.23	377.20	7.42	-56.81
COC1=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020209409	0	46	-1.0	-49.46	356.47	6.22	-43.24
COC1=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020209409	1	46	-1.0	-49.41	356.54	6.24	-43.17
O=C(C1CC2=CC=CC=C2C(=O)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209410	0	43	-1.0	-55.93	338.14	6.74	-49.19
O=C(C1CC2=CC=CC=C2C(=O)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209410	1	43	-1.0	-55.89	338.20	6.75	-49.14
O=C(C1CC(=O)N(C2CCCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209411	0	50	-1.0	-48.20	369.18	5.61	-42.59
O=C(C1CC(=O)N(C2CCCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209411	1	50	-1.0	-48.18	369.25	5.63	-42.55
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020209412	0	39	-1.0	-46.78	307.05	2.05	-44.73
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020209412	1	39	-1.0	-46.84	307.02	2.05	-44.79
O=C(C1=CC2=NNN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209413	0	38	-1.0	-48.32	300.24	2.64	-45.68
O=C(C1=CC2=NNN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209413	1	38	-1.0	-48.35	300.27	2.65	-45.70
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209414	0	50	-1.0	-57.64	399.58	2.92	-54.72
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209414	1	50	-1.0	-57.61	399.58	2.93	-54.68
CC1=C(C)C=C2C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=COC2=C1	REAL300020209415	0	48	-1.0	-53.25	370.18	8.08	-45.17
CC1=C(C)C=C2C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=COC2=C1	REAL300020209415	1	48	-1.0	-53.26	370.23	8.09	-45.17
O=C(C1=CC2=C(S1)C1=CC=CC=C1CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020209416	0	47	-1.0	-51.74	371.01	9.36	-42.38
O=C(C1=CC2=C(S1)C1=CC=CC=C1CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020209416	1	47	-1.0	-51.78	371.05	9.37	-42.41
O=C(C1=CC2=C(S1)C1=CC=CC=C1OC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020209417	0	45	-1.0	-50.15	363.89	7.28	-42.87
O=C(C1=CC2=C(S1)C1=CC=CC=C1OC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020209417	1	45	-1.0	-50.16	363.94	7.30	-42.86
O=C(C1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209418	0	42	-1.0	-52.07	351.99	3.26	-48.81
O=C(C1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209418	1	42	-1.0	-52.06	351.99	3.28	-48.78
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL300020209419	0	45	-1.0	-48.50	353.73	5.95	-42.55
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL300020209419	1	45	-1.0	-48.51	353.67	5.94	-42.57
O=C(CCCC1=NC2=CC=CC=C2C(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209420	0	50	-1.0	-59.52	390.74	6.56	-52.96
O=C(CCCC1=NC2=CC=CC=C2C(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209420	1	50	-1.0	-59.44	390.79	6.58	-52.86
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020209421	0	47	-1.0	-58.16	390.94	2.06	-56.10
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020209421	1	47	-1.0	-58.21	390.99	2.08	-56.13
CC1=NN(C)C(C)=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209422	0	48	-1.0	-49.38	371.21	5.66	-43.72
CC1=NN(C)C(C)=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209422	1	48	-1.0	-49.39	371.27	5.69	-43.70
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COC(=O)C1=C(C)NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020209527	1	46	-1.0	-52.37	361.03	5.51	-46.86
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O=C(C1=CN(CC2=CC=CC=C2Cl)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209529	1	46	-1.0	-49.55	374.27	7.47	-42.08
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CC1OC2=CC=CC=C2N(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020209531	0	51	-1.0	-49.94	389.85	6.29	-43.65
CC1OC2=CC=CC=C2N(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020209531	1	51	-1.0	-50.00	389.91	6.30	-43.70
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CS(=O)CC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209533	0	44	-1.0	-64.97	355.63	4.61	-60.36
CS(=O)CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209533	1	44	-1.0	-64.97	355.67	4.60	-60.37
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CC(C)=CC1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1(C)C	REAL300020209535	0	49	-1.0	-45.34	366.25	7.61	-37.73
CC(C)=CC1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1(C)C	REAL300020209535	1	49	-1.0	-45.38	366.31	7.63	-37.75
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COC1=CC=C(C)C=C1N1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1=O	REAL300020209537	1	54	-1.0	-51.51	416.33	6.62	-44.89
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CN1C=C(Br)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209540	1	37	-1.0	-38.99	305.62	5.81	-33.18
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COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=C1OC(C)C2	REAL300020209541	1	48	-1.0	-50.52	366.62	5.29	-45.23
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COCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020209542	1	40	-1.0	-49.01	315.66	3.62	-45.39
CN1C=C(Cl)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209543	0	37	-1.0	-38.98	300.97	5.69	-33.29
CN1C=C(Cl)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209543	1	37	-1.0	-39.01	300.99	5.70	-33.31
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CC1=CC=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020209544	1	46	-1.0	-50.99	358.39	7.23	-43.76
CC(C)(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C(C)(C)C)=C1O	REAL300020209545	0	61	-1.0	-52.03	432.62	8.28	-43.75
CC(C)(C)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C(C)(C)C)=C1O	REAL300020209545	1	61	-1.0	-52.06	432.67	8.29	-43.77
CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209546	0	47	-1.0	-52.18	378.79	3.38	-48.80
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CCOC1=CC=CC=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209547	0	47	-1.0	-55.46	362.16	7.20	-48.26
CCOC1=CC=CC=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209547	1	47	-1.0	-55.48	362.21	7.21	-48.27
CC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020209548	0	43	-1.0	-50.03	347.09	8.01	-42.02
CC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020209548	1	43	-1.0	-50.03	347.15	8.03	-42.00
CC1=CC=CC(OCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209549	0	46	-1.0	-49.27	354.55	6.79	-42.48
CC1=CC=CC(OCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209549	1	46	-1.0	-49.21	354.60	6.82	-42.39
COC1=CC=C(SCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209550	0	47	-1.0	-48.62	372.93	7.05	-41.57
COC1=CC=C(SCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209550	1	47	-1.0	-48.68	372.99	7.07	-41.61
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CC1=CC=CC2=C1N=CN(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C2=O	REAL300020209554	0	50	-1.0	-48.66	389.71	8.25	-40.41
CC1=CC=CC2=C1N=CN(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C2=O	REAL300020209554	1	50	-1.0	-48.61	389.65	8.25	-40.36
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C2C=NN(C(C)C)C2=N1	REAL300020209555	0	50	-1.0	-42.26	387.82	7.13	-35.13
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C2C=NN(C(C)C)C2=N1	REAL300020209555	1	50	-1.0	-42.24	387.88	7.13	-35.11
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O=C(C1=CC=C2NC(=O)CCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209556	1	44	-1.0	-50.01	340.00	4.58	-45.43
COC1=CC=C(N2C(C)=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C)C=C1	REAL300020209557	0	54	-1.0	-52.74	413.40	8.79	-43.95
COC1=CC=C(N2C(C)=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C)C=C1	REAL300020209557	1	54	-1.0	-52.75	413.46	8.79	-43.96
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209558	0	42	-1.0	-41.59	340.26	0.03	-41.56
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209558	1	42	-1.0	-41.62	340.29	0.06	-41.56
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O=C(CC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209559	1	42	-1.0	-47.06	341.61	7.46	-39.60
COC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020209560	0	44	-1.0	-48.81	357.10	6.79	-42.02
COC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020209560	1	44	-1.0	-48.81	357.16	6.79	-42.02
O=C(NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1)C1=CC=CN=C1	REAL300020209561	0	49	-1.0	-62.62	387.34	5.61	-57.01
O=C(NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1)C1=CC=CN=C1	REAL300020209561	1	49	-1.0	-62.57	387.30	5.61	-56.96
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209562	0	45	-1.0	-44.57	362.49	6.54	-38.03
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209562	1	45	-1.0	-44.57	362.55	6.55	-38.02
COC1=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(C)N=C2C=C1	REAL300020209563	0	48	-1.0	-45.08	372.49	6.19	-38.89
COC1=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(C)N=C2C=C1	REAL300020209563	1	48	-1.0	-45.05	372.53	6.19	-38.86
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020209564	0	44	-1.0	-52.55	357.96	1.76	-50.79
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020209564	1	44	-1.0	-52.61	358.02	1.77	-50.84
CC1CN(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)CC(C)O1	REAL300020209565	0	54	-1.0	-48.61	403.99	5.02	-43.59
CC1CN(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)CC(C)O1	REAL300020209565	1	54	-1.0	-48.57	403.96	5.02	-43.55
O=C(CN1C=C(Br)C=CC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209566	0	39	-1.0	-53.30	333.18	5.21	-48.09
O=C(CN1C=C(Br)C=CC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209566	1	39	-1.0	-53.29	333.25	5.21	-48.08
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209567	0	44	-1.0	-50.64	366.99	1.60	-49.04
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209567	1	44	-1.0	-50.65	367.02	1.60	-49.05
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209568	0	46	-1.0	-53.55	370.47	4.02	-49.53
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209568	1	46	-1.0	-53.58	370.52	4.02	-49.56
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209569	0	43	-1.0	-49.88	355.23	6.34	-43.54
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209569	1	43	-1.0	-49.91	355.31	6.33	-43.58
O=C(CCC1=CC=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209570	0	42	-1.0	-45.82	341.22	7.76	-38.06
O=C(CCC1=CC=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209570	1	42	-1.0	-45.83	341.27	7.76	-38.07
O=C(C1=CC=C(OCC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209571	0	43	-1.0	-48.91	350.57	6.09	-42.82
O=C(C1=CC=C(OCC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209571	1	43	-1.0	-48.87	350.60	6.11	-42.76
CCOC1=CC=C(C2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CS2)C=C1	REAL300020209572	0	49	-1.0	-50.42	394.06	7.25	-43.17
CCOC1=CC=C(C2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CS2)C=C1	REAL300020209572	1	49	-1.0	-50.45	394.00	7.24	-43.21
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209573	0	48	-1.0	-52.37	384.40	2.91	-49.46
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209573	1	48	-1.0	-52.42	384.45	2.92	-49.50
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209574	0	51	-1.0	-51.61	406.86	7.18	-44.43
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209574	1	51	-1.0	-51.62	406.91	7.20	-44.42
COC1=CC=C(C(=O)NCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209575	0	53	-1.0	-50.31	410.47	4.99	-45.32
COC1=CC=C(C(=O)NCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209575	1	53	-1.0	-50.28	410.52	5.00	-45.28
O=C(CCOC1=CC=C(Br)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209576	0	43	-1.0	-46.98	354.43	6.75	-40.23
O=C(CCOC1=CC=C(Br)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209576	1	43	-1.0	-47.03	354.48	6.77	-40.26
COC1=CC=C2OCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2=C1	REAL300020209577	0	48	-1.0	-50.31	359.10	5.43	-44.88
COC1=CC=C2OCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2=C1	REAL300020209577	1	48	-1.0	-50.33	359.15	5.44	-44.89
O=C(CNS(=O)(=O)C1=CC=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209578	0	41	-1.0	-51.90	354.00	0.76	-51.14
O=C(CNS(=O)(=O)C1=CC=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209578	1	41	-1.0	-51.86	354.06	0.77	-51.09
COC1=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=C1OCCO2	REAL300020209579	0	50	-1.0	-53.45	385.29	5.96	-47.49
COC1=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=C1OCCO2	REAL300020209579	1	50	-1.0	-53.47	385.34	5.96	-47.51
CC1=CC(C)=NC2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=NN21	REAL300020209580	0	43	-1.0	-61.77	339.85	7.57	-54.20
CC1=CC(C)=NC2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=NN21	REAL300020209580	1	43	-1.0	-61.77	339.90	7.57	-54.20
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020209581	0	46	-1.0	-51.87	362.79	6.55	-45.32
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020209581	1	46	-1.0	-51.87	362.89	6.57	-45.30
O=C(CSC1=CC=C2OCCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209582	0	46	-1.0	-53.82	366.29	6.15	-47.67
O=C(CSC1=CC=C2OCCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209582	1	46	-1.0	-53.82	366.34	6.16	-47.66
CC1=C(C)C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1	REAL300020209583	0	46	-1.0	-52.72	352.91	6.61	-46.11
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CCCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OCC	REAL300020209603	1	53	-1.0	-49.37	404.01	7.25	-42.12
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CSCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209604	1	43	-1.0	-50.97	344.27	7.22	-43.75
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CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1N1C=CC=C1	REAL300020209613	0	47	-1.0	-49.30	362.14	8.92	-40.38
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1N1C=CC=C1	REAL300020209613	1	47	-1.0	-49.30	362.18	8.93	-40.37
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CC1=NN(C)C(C)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209616	0	42	-1.0	-48.16	331.05	4.06	-44.10
CC1=NN(C)C(C)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209616	1	42	-1.0	-48.13	331.11	4.09	-44.04
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CC1OC2=CC=CC=C2N(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020209619	0	48	-1.0	-49.39	370.32	5.84	-43.55
CC1OC2=CC=CC=C2N(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020209619	1	48	-1.0	-49.39	370.37	5.86	-43.53
CC(NC(=O)C1=CC=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209620	0	43	-1.0	-46.38	347.69	3.87	-42.51
CC(NC(=O)C1=CC=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209620	1	43	-1.0	-46.35	347.75	3.89	-42.46
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CC1=NN(C)C(Cl)=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209622	0	43	-1.0	-48.80	353.24	5.72	-43.08
CC1=NN(C)C(Cl)=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209622	1	43	-1.0	-48.80	353.29	5.72	-43.08
CC1=CC=C(C2=CN=C(CCC(=O)N3CCCCC3CC3=N[N-]N=N3)O2)C=C1	REAL300020209623	0	51	-1.0	-48.34	405.77	6.04	-42.30
CC1=CC=C(C2=CN=C(CCC(=O)N3CCCCC3CC3=NN=N[N-]3)O2)C=C1	REAL300020209623	1	51	-1.0	-48.31	405.84	6.04	-42.27
CC1=NN(C)C2=C1C=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)S2	REAL300020209624	0	42	-1.0	-51.54	340.76	5.26	-46.28
CC1=NN(C)C2=C1C=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)S2	REAL300020209624	1	42	-1.0	-51.60	340.81	5.29	-46.31
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CS(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209627	0	41	-1.0	-60.79	330.34	3.92	-56.87
CS(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209627	1	41	-1.0	-60.83	330.34	3.94	-56.89
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O=C(C1=NN(C2=CC=CC=C2)C2=C1CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020209628	1	50	-1.0	-55.88	384.02	9.05	-46.83
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O=C(C1=CC=C(N2CCNC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209629	1	46	-1.0	-57.39	352.74	4.16	-53.23
CC(C)N1N=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C21	REAL300020209630	0	47	-1.0	-48.69	367.24	6.05	-42.64
CC(C)N1N=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C21	REAL300020209630	1	47	-1.0	-48.71	367.22	6.05	-42.66
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C12	REAL300020209631	0	49	-1.0	-38.93	370.03	4.29	-34.64
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C12	REAL300020209631	1	49	-1.0	-38.97	370.06	4.32	-34.65
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C12	REAL300020209632	0	47	-1.0	-46.51	362.14	4.45	-42.06
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C12	REAL300020209632	1	47	-1.0	-46.56	362.19	4.47	-42.09
CN1C=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209633	0	39	-1.0	-40.91	318.76	5.78	-35.13
CN1C=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209633	1	39	-1.0	-40.94	318.80	5.79	-35.15
O=C(C1CCN(C2=NC3=CC=CC=C3O2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209634	0	53	-1.0	-55.66	397.42	4.40	-51.26
O=C(C1CCN(C2=NC3=CC=CC=C3O2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209634	1	53	-1.0	-55.60	397.37	4.39	-51.21
CSC1=NC(C)=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020209635	0	48	-1.0	-52.59	388.00	4.62	-47.97
CSC1=NC(C)=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020209635	1	48	-1.0	-52.56	388.06	4.64	-47.92
CSC1=NC(C)=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]1	REAL300020209635	1	47	-2.0	-102.01	380.11	3.89	-98.12
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CC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020209764	1	50	-1.0	-49.03	370.89	7.97	-41.06
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CC1CCC2=C(C1)SC=C2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209773	0	46	-1.0	-49.18	351.38	7.58	-41.60
CC1CCC2=C(C1)SC=C2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209773	1	46	-1.0	-49.12	351.36	7.59	-41.53
CCCCC1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020209774	0	54	-1.0	-48.52	375.20	8.47	-40.05
CCCCC1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020209774	1	54	-1.0	-48.50	375.25	8.50	-40.00
O=C(C1CC1(Cl)Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020209775	0	33	-1.0	-44.59	289.89	4.93	-39.66
O=C(C1CC1(Cl)Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020209775	1	33	-1.0	-44.58	289.95	4.95	-39.63
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CC(NC(=O)C(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209777	0	48	-1.0	-43.99	358.90	3.76	-40.23
CC(NC(=O)C(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209777	1	48	-1.0	-44.01	358.95	3.77	-40.24
CC1=NC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020209778	0	38	-1.0	-50.25	304.80	3.97	-46.28
CC1=NC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020209778	1	38	-1.0	-50.31	304.86	3.99	-46.32
CCN1C(=O)C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300020209779	0	47	-2.0	-92.17	382.35	6.66	-85.51
CCN1C(=O)C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300020209779	1	47	-2.0	-92.15	382.38	6.67	-85.48
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209780	0	51	-1.0	-52.21	393.02	7.54	-44.67
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209780	1	51	-1.0	-52.23	393.09	7.54	-44.69
CC1=NN(C)C(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209781	0	45	-1.0	-52.85	349.82	4.87	-47.98
CC1=NN(C)C(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209781	1	45	-1.0	-52.84	349.88	4.90	-47.94
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CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209784	0	58	-1.0	-47.78	429.41	7.22	-40.56
CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209784	1	58	-1.0	-47.88	429.47	7.21	-40.67
CC1OC2=CC=CC=C2OC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209785	0	45	-1.0	-53.66	329.37	5.89	-47.77
CC1OC2=CC=CC=C2OC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209785	1	45	-1.0	-53.69	329.41	5.91	-47.78
CC(C)C1=CC=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=C1	REAL300020209786	0	49	-1.0	-51.41	374.61	7.43	-43.98
CC(C)C1=CC=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=C1	REAL300020209786	1	49	-1.0	-50.18	373.93	7.67	-42.51
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COC1=NC=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209788	0	39	-1.0	-56.13	302.15	2.69	-53.44
COC1=NC=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209788	1	39	-1.0	-56.13	302.13	2.67	-53.46
CC(OC1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209789	0	43	-1.0	-55.39	332.24	6.49	-48.90
CC(OC1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209789	1	43	-1.0	-55.42	332.29	6.50	-48.92
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209790	0	41	-1.0	-45.24	332.78	5.27	-39.97
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CC(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(O)C(C(C)C)=C1	REAL300020209856	0	55	-1.0	-53.31	406.36	7.16	-46.15
CC(C)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(O)C(C(C)C)=C1	REAL300020209856	1	55	-1.0	-53.26	406.38	7.17	-46.09
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CC1=CC=C(O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209860	1	40	-1.0	-52.87	309.05	3.95	-48.92
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CC(C)(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(O)C(C(C)(C)C)=C1	REAL300020209862	0	61	-1.0	-52.98	433.47	8.27	-44.71
CC(C)(C)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(O)C(C(C)(C)C)=C1	REAL300020209862	1	61	-1.0	-52.96	433.46	8.29	-44.67
COC1=CC=C(O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209863	0	41	-1.0	-53.80	317.11	2.55	-51.25
COC1=CC=C(O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209863	1	41	-1.0	-53.77	317.11	2.57	-51.20
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CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1O	REAL300020209865	0	40	-1.0	-49.20	311.18	3.27	-45.93
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1O	REAL300020209865	1	40	-1.0	-49.22	311.21	3.28	-45.94
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1C(C)C1=CC=CC=C1	REAL300020209866	0	56	-1.0	-53.65	406.96	10.02	-43.63
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1C(C)C1=CC=CC=C1	REAL300020209866	1	56	-1.0	-53.68	407.01	10.04	-43.64
CC(OC1=CC=CC=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209867	0	43	-1.0	-56.50	336.54	6.21	-50.29
CC(OC1=CC=CC=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209867	1	43	-1.0	-56.49	336.60	6.23	-50.26
O=C(COC1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209868	0	40	-1.0	-48.59	334.60	6.63	-41.96
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O=C(CCOCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020209869	0	39	-1.0	-44.59	318.18	3.96	-40.63
O=C(CCOCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020209869	1	39	-1.0	-44.56	318.23	3.97	-40.59
CN1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1=O	REAL300020209870	0	43	-1.0	-52.45	319.42	3.93	-48.52
CN1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1=O	REAL300020209870	1	43	-1.0	-52.46	319.48	3.94	-48.52
CNC(=O)C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209871	0	47	-1.0	-54.76	368.46	5.22	-49.54
CNC(=O)C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209871	1	47	-1.0	-54.80	368.51	5.22	-49.58
O=C(C1=CC=C(N2C=CN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209872	0	43	-1.0	-49.26	335.94	7.78	-41.48
O=C(C1=CC=C(N2C=CN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209872	1	43	-1.0	-49.32	335.98	7.78	-41.54
O=C(C1CCN(C2=NN3C=NN=C3C=C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209873	0	52	-1.0	-59.63	388.27	8.46	-51.17
O=C(C1CCN(C2=NN3C=NN=C3C=C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209873	1	52	-1.0	-59.65	388.10	8.48	-51.17
NS(=O)(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020209874	0	46	-1.0	-50.65	349.73	-0.51	-51.16
NS(=O)(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020209874	1	46	-1.0	-50.65	349.78	-0.49	-51.14
C=CCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209875	0	44	-1.0	-48.87	342.31	6.13	-42.74
C=CCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209875	1	44	-1.0	-48.83	342.31	6.16	-42.67
CN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020209876	0	39	-1.0	-55.85	304.96	4.19	-51.66
CN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020209876	1	39	-1.0	-55.87	304.99	4.20	-51.67
CN1C(=O)C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2N(C)C1=O	REAL300020209877	0	47	-1.0	-45.88	365.89	5.77	-40.11
CN1C(=O)C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2N(C)C1=O	REAL300020209877	1	47	-1.0	-45.83	365.95	5.78	-40.05
O=C(CCNC(=O)C1=CC2=CC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209878	0	52	-1.0	-59.56	410.51	6.81	-52.75
O=C(CCNC(=O)C1=CC2=CC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209878	1	52	-1.0	-59.56	410.58	6.83	-52.73
NC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209879	0	40	-1.0	-57.84	314.65	2.16	-55.68
NC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209879	1	40	-1.0	-57.81	314.68	2.16	-55.65
O=C(C1=CC=CC(NC2=NC=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209880	0	46	-1.0	-53.04	361.83	7.99	-45.05
O=C(C1=CC=CC(NC2=NC=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209880	1	46	-1.0	-53.02	361.79	7.98	-45.04
O=C(C1CC(=O)N(C2CCS(=O)(=O)C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209881	0	50	-1.0	-57.34	387.61	1.61	-55.73
O=C(C1CC(=O)N(C2CCS(=O)(=O)C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209881	1	50	-1.0	-57.36	387.67	1.63	-55.73
NC(=O)COC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209882	0	44	-1.0	-61.74	348.06	2.78	-58.96
NC(=O)COC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209882	1	44	-1.0	-61.76	348.09	2.78	-58.98
COC1=CC=C(N2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2=O)C=C1	REAL300020209883	0	51	-1.0	-49.77	388.77	5.43	-44.34
COC1=CC=C(N2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2=O)C=C1	REAL300020209883	1	51	-1.0	-49.73	388.84	5.45	-44.28
O=C(CN1CCS(=O)(=O)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209884	0	44	-1.0	-54.66	341.01	-0.30	-54.96
O=C(CN1CCS(=O)(=O)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209884	1	44	-1.0	-54.71	341.08	-0.29	-55.00
O=C(CNC(=O)C1=CNC2=CC=CC=C2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020209885	0	49	-1.0	-62.42	390.45	4.09	-58.33
O=C(CNC(=O)C1=CNC2=CC=CC=C2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020209885	1	49	-1.0	-62.43	390.51	4.09	-58.34
O=C(C1=C(Cl)C2=C(Cl)C=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209886	0	39	-1.0	-52.12	342.65	7.52	-44.60
O=C(C1=C(Cl)C2=C(Cl)C=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209886	1	39	-1.0	-52.10	342.70	7.52	-44.58
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209887	0	51	-1.0	-54.49	399.67	6.91	-47.58
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209887	1	51	-1.0	-54.48	399.72	6.92	-47.56
O=C(CCC1=CC=C(OC(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209888	0	46	-1.0	-50.17	363.93	6.89	-43.28
O=C(CCC1=CC=C(OC(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209888	1	46	-1.0	-50.22	363.98	6.90	-43.32
O=C(C1CC(=O)N(CC2=CC=CO2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209889	0	47	-1.0	-47.53	366.30	5.31	-42.22
O=C(C1CC(=O)N(CC2=CC=CO2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209889	1	47	-1.0	-47.51	366.36	5.33	-42.18
O=C(C1=CC(C2=CC=CO2)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209890	0	40	-1.0	-51.58	321.65	3.94	-47.64
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CC1=CC=C(C2=NOC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=C1	REAL300020209998	1	45	-1.0	-46.26	355.53	7.20	-39.06
CN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)S(=O)(=O)C1=CC=CC=C1	REAL300020209999	0	47	-1.0	-48.68	381.53	3.77	-44.91
CN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)S(=O)(=O)C1=CC=CC=C1	REAL300020209999	1	47	-1.0	-48.68	381.61	3.79	-44.89
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210000	0	53	-1.0	-54.53	400.18	9.80	-44.73
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210000	1	53	-1.0	-54.57	400.23	9.80	-44.77
CC(C)C1=NOC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020210001	0	46	-1.0	-46.87	358.10	3.92	-42.95
CC(C)C1=NOC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020210001	1	46	-1.0	-46.82	358.16	3.93	-42.89
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210002	0	47	-1.0	-59.90	389.20	5.92	-53.98
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210002	1	47	-1.0	-59.93	389.26	5.94	-53.99
O=C(C1=NN(C2=CC=CC=C2F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210003	0	43	-1.0	-56.83	339.57	7.28	-49.55
O=C(C1=NN(C2=CC=CC=C2F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210003	1	43	-1.0	-56.89	339.52	7.28	-49.61
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020210004	0	39	-1.0	-48.11	307.08	2.10	-46.01
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020210004	1	39	-1.0	-48.14	307.03	2.10	-46.04
CC1=NC(C)=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020210005	0	44	-1.0	-56.17	345.66	3.24	-52.93
CC1=NC(C)=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020210005	1	44	-1.0	-56.26	345.73	3.25	-53.01
CC1=CC=C(C2=NC(C)=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)O1	REAL300020210006	0	45	-1.0	-50.70	371.07	5.86	-44.84
CC1=CC=C(C2=NC(C)=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)O1	REAL300020210006	1	45	-1.0	-50.74	371.04	5.86	-44.88
O=C(C1CC(=O)N(CC2=CC=CC=N2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210007	0	49	-1.0	-48.39	380.25	5.37	-43.02
O=C(C1CC(=O)N(CC2=CC=CC=N2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210007	1	49	-1.0	-48.56	380.56	5.37	-43.19
O=C(C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210008	0	48	-1.0	-60.66	386.44	8.06	-52.60
O=C(C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210008	1	48	-1.0	-60.33	386.31	8.03	-52.30
CC(C)(C)C1=NOC(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020210009	0	52	-1.0	-55.61	399.47	5.29	-50.32
CC(C)(C)C1=NOC(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020210009	1	52	-1.0	-55.56	399.51	5.31	-50.25
CC(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210010	0	44	-1.0	-48.55	344.12	6.86	-41.69
CC(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210010	1	44	-1.0	-48.55	344.17	6.87	-41.68
CN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)S(=O)(=O)C1=CC=CN=C1	REAL300020210011	0	46	-1.0	-64.35	373.43	2.30	-62.05
CN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)S(=O)(=O)C1=CC=CN=C1	REAL300020210011	1	46	-1.0	-64.33	373.38	2.29	-62.04
NS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020210012	0	41	-1.0	-50.72	339.80	0.39	-50.33
NS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020210012	1	41	-1.0	-50.70	339.83	0.41	-50.29
O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210013	0	55	-1.0	-52.93	390.76	6.00	-46.93
O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210013	1	55	-1.0	-52.99	390.82	6.03	-46.96
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210014	0	43	-1.0	-49.04	353.01	7.67	-41.37
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210014	1	43	-1.0	-49.03	353.06	7.68	-41.35
O=C(C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210015	0	45	-1.0	-58.60	365.47	7.82	-50.78
O=C(C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210015	1	45	-1.0	-58.59	365.41	7.81	-50.78
CC1=CC=C(C2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CS2)O1	REAL300020210016	0	42	-1.0	-51.94	347.48	5.86	-46.08
CC1=CC=C(C2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CS2)O1	REAL300020210016	1	42	-1.0	-51.95	347.43	5.86	-46.09
CC1=NOC(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020210017	0	43	-1.0	-55.30	337.74	3.68	-51.62
CC1=NOC(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020210017	1	43	-1.0	-55.33	337.79	3.69	-51.64
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210018	0	48	-1.0	-54.99	394.75	7.72	-47.27
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210018	1	48	-1.0	-55.01	394.81	7.74	-47.27
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC2=C1C(=O)CCC2	REAL300020210019	0	45	-1.0	-56.40	341.97	6.13	-50.27
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC2=C1C(=O)CCC2	REAL300020210019	1	45	-1.0	-56.41	342.02	6.13	-50.28
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1F	REAL300020210020	0	46	-1.0	-51.43	365.32	7.26	-44.17
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1F	REAL300020210020	1	46	-1.0	-51.48	365.37	7.25	-44.23
O=C(C1=CC=CC(OCC2=CC=CS2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210021	0	47	-1.0	-51.43	383.75	7.89	-43.54
O=C(C1=CC=CC(OCC2=CC=CS2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210021	1	47	-1.0	-51.45	383.79	7.91	-43.54
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210022	0	43	-2.0	-92.45	345.45	0.64	-91.81
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210022	1	43	-2.0	-92.46	345.49	0.65	-91.81
O=C(C1=CSC(CC2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210023	0	45	-1.0	-50.61	366.03	7.69	-42.92
O=C(C1=CSC(CC2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210023	1	45	-1.0	-50.65	366.09	7.69	-42.96
CC(C)NC(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210024	0	51	-1.0	-63.93	393.47	4.55	-59.38
CC(C)NC(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210024	1	51	-1.0	-63.95	393.51	4.55	-59.40
CCC(CC)N1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1=O	REAL300020210025	0	52	-1.0	-47.34	384.90	6.49	-40.85
CCC(CC)N1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1=O	REAL300020210025	1	52	-1.0	-47.36	384.96	6.51	-40.85
O=C(C1=CSC(C2=CC=CC(Cl)=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210026	0	42	-1.0	-50.26	359.77	7.52	-42.74
O=C(C1=CSC(C2=CC=CC(Cl)=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210026	1	42	-1.0	-50.25	359.71	7.52	-42.73
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C12	REAL300020210027	0	53	-1.0	-46.54	404.41	5.95	-40.59
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C12	REAL300020210027	1	53	-1.0	-46.51	404.48	5.96	-40.55
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C12	REAL300020210028	0	53	-1.0	-46.59	403.59	5.69	-40.90
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C12	REAL300020210028	1	53	-1.0	-46.57	403.64	5.70	-40.87
CC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210029	0	41	-1.0	-51.50	319.37	5.74	-45.76
CC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210029	1	41	-1.0	-51.48	319.37	5.75	-45.73
O=C(CCNC(=O)OCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210030	0	50	-1.0	-56.52	396.66	5.20	-51.32
O=C(CCNC(=O)OCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210030	1	50	-1.0	-56.52	396.71	5.22	-51.30
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL300020210031	0	49	-1.0	-50.22	374.16	7.33	-42.89
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL300020210031	1	49	-1.0	-50.11	374.00	7.34	-42.77
NC(=S)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210032	0	40	-1.0	-53.16	325.79	4.54	-48.62
NC(=S)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210032	1	40	-1.0	-53.16	325.79	4.56	-48.60
O=C(C=CC1=C(F)C=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210033	0	40	-1.0	-53.95	325.69	7.06	-46.89
O=C(C=CC1=C(F)C=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210033	1	40	-1.0	-54.00	325.74	7.08	-46.92
O=C(CCCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210034	0	45	-1.0	-49.89	345.98	8.03	-41.86
O=C(CCCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210034	1	45	-1.0	-49.90	346.04	8.03	-41.87
O=C(C1=C2C=CNC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210035	0	40	-1.0	-56.66	304.17	5.32	-51.34
O=C(C1=C2C=CNC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210035	1	40	-1.0	-56.66	304.19	5.32	-51.34
O=C(C1=CC(F)=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210036	0	36	-1.0	-45.64	305.05	6.02	-39.62
O=C(C1=CC(F)=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210036	1	36	-1.0	-45.60	305.08	6.02	-39.58
O=C(CCOC1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210037	0	43	-1.0	-47.06	349.87	6.65	-40.41
O=C(CCOC1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210037	1	43	-1.0	-47.09	349.92	6.66	-40.43
O=C(C1=CC=C(CN2C=CN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210038	0	46	-1.0	-53.06	361.43	8.59	-44.47
O=C(C1=CC=C(CN2C=CN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210038	1	46	-1.0	-53.00	361.43	8.60	-44.40
O=C(C1=C(Br)C2=CC=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210039	0	40	-1.0	-48.62	330.94	6.35	-42.27
O=C(C1=C(Br)C2=CC=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210039	1	40	-1.0	-48.68	330.97	6.35	-42.33
O=C(C1=CC=C(C2=CC=CC=C2)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210040	0	46	-1.0	-52.50	357.40	8.81	-43.69
O=C(C1=CC=C(C2=CC=CC=C2)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210040	1	46	-1.0	-52.54	357.40	8.82	-43.72
O=C(CCOCC1CCCO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210041	0	47	-1.0	-47.22	360.56	3.60	-43.62
O=C(CCOCC1CCCO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210041	1	47	-1.0	-47.17	360.62	3.63	-43.54
O=C(COCCOC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210042	0	47	-1.0	-59.03	367.49	6.31	-52.72
O=C(COCCOC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210042	1	47	-1.0	-59.03	367.54	6.31	-52.72
COC1=CC=CC(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210043	0	47	-1.0	-55.54	367.26	5.91	-49.63
COC1=CC=CC(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210043	1	47	-1.0	-55.60	367.31	5.92	-49.68
CC1=CC=C(N2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=N2)C=C1	REAL300020210044	0	45	-1.0	-48.18	354.46	6.35	-41.83
CC1=CC=C(N2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=N2)C=C1	REAL300020210044	1	45	-1.0	-48.15	354.40	6.35	-41.80
COCCS(=O)(=O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210045	0	42	-1.0	-62.95	339.75	0.41	-62.54
COCCS(=O)(=O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210045	1	42	-1.0	-62.99	339.80	0.41	-62.58
O=C(CC1=CC2=CC=CC=C2NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210046	0	45	-1.0	-63.53	353.63	5.56	-57.97
O=C(CC1=CC2=CC=CC=C2NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210046	1	45	-1.0	-63.52	353.68	5.57	-57.95
CC1=CC2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C(=O)N2C=C1	REAL300020210047	0	44	-1.0	-62.51	343.00	5.85	-56.66
CC1=CC2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C(=O)N2C=C1	REAL300020210047	1	44	-1.0	-62.49	343.10	5.85	-56.64
O=C(C1=CN=C(C2=CC=CC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210048	0	42	-1.0	-49.96	343.03	6.17	-43.79
O=C(C1=CN=C(C2=CC=CC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210048	1	42	-1.0	-49.92	342.97	6.16	-43.76
O=C(CCCN1C(=O)CCC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210049	0	45	-1.0	-58.75	351.51	4.76	-53.99
O=C(CCCN1C(=O)CCC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210049	1	45	-1.0	-58.75	351.56	4.77	-53.98
O=C(CCOC1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210050	0	43	-1.0	-49.21	355.73	6.70	-42.51
O=C(CCOC1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210050	1	43	-1.0	-49.28	355.78	6.71	-42.57
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(C2=CC=CS2)O1	REAL300020210051	0	42	-1.0	-48.48	346.49	4.88	-43.60
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(C2=CC=CS2)O1	REAL300020210051	1	42	-1.0	-48.45	346.44	4.87	-43.58
O=C(C1=CC(C2=CC=CC(F)=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210052	0	42	-1.0	-46.26	340.61	6.59	-39.67
O=C(C1=CC(C2=CC=CC(F)=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210052	1	42	-1.0	-46.25	340.55	6.59	-39.66
O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210053	0	55	-1.0	-59.67	390.91	5.76	-53.91
O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210053	1	55	-1.0	-59.64	390.96	5.79	-53.85
O=C(C1=CC2=CC=CC(Br)=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210054	0	39	-1.0	-48.32	328.31	6.72	-41.60
O=C(C1=CC2=CC=CC(Br)=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210054	1	39	-1.0	-48.30	328.36	6.73	-41.57
O=C(C1=NN(C2=CC=CC=C2F)C2=C1CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020210055	0	50	-1.0	-59.99	391.52	9.25	-50.74
O=C(C1=NN(C2=CC=CC=C2F)C2=C1CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020210055	1	50	-1.0	-60.00	391.58	9.26	-50.74
CC(C)CC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210056	0	56	-1.0	-45.06	430.70	9.41	-35.65
CC(C)CC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210056	1	56	-1.0	-45.12	430.76	9.43	-35.69
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210057	0	44	-1.0	-54.93	363.69	6.41	-48.52
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210057	1	44	-1.0	-54.93	363.63	6.39	-48.54
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210058	0	51	-1.0	-67.83	408.98	5.94	-61.89
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210058	1	51	-1.0	-67.82	409.03	5.94	-61.88
CCN1CCN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)C1=O	REAL300020210059	0	47	-1.0	-53.44	363.79	4.77	-48.67
CCN1CCN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)C1=O	REAL300020210059	1	47	-1.0	-53.45	363.84	4.79	-48.66
COC1=CC=C2NC=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020210060	0	47	-1.0	-52.37	364.72	5.84	-46.53
COC1=CC=C2NC=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020210060	1	47	-1.0	-52.40	364.78	5.85	-46.55
O=C(C1CCN(C2=NC=CC=N2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210061	0	49	-1.0	-55.21	363.88	6.33	-48.88
O=C(C1CCN(C2=NC=CC=N2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210061	1	49	-1.0	-55.19	363.84	6.31	-48.88
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)S(C)(=O)=O	REAL300020210062	0	38	-1.0	-69.59	299.33	1.09	-68.50
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)S(C)(=O)=O	REAL300020210062	1	38	-1.0	-69.60	299.39	1.10	-68.50
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL300020210063	0	50	-1.0	-48.62	386.09	9.32	-39.30
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300020210063	1	50	-1.0	-48.63	386.15	9.34	-39.29
O=C(C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210064	0	45	-1.0	-48.68	365.33	8.47	-40.21
O=C(C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210064	1	45	-1.0	-48.72	365.38	8.50	-40.22
CCC1=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020210065	0	46	-1.0	-50.30	372.33	7.63	-42.67
CCC1=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020210065	1	46	-1.0	-50.31	372.38	7.66	-42.65
CC(OC1=CC=C2CCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210066	0	50	-1.0	-55.54	372.39	8.32	-47.22
CC(OC1=CC=C2CCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210066	1	50	-1.0	-55.56	372.36	8.32	-47.24
O=C(CCCC1=NC(C2=CC=C(F)C=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210067	0	50	-1.0	-55.20	403.52	6.80	-48.40
O=C(CCCC1=NC(C2=CC=C(F)C=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210067	1	50	-1.0	-55.21	403.47	6.80	-48.41
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210068	0	43	-1.0	-57.16	356.84	7.49	-49.67
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210068	1	43	-1.0	-57.17	356.88	7.50	-49.67
O=C(CCCC1=NC(C2=CC=CS2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210069	0	47	-1.0	-56.80	392.73	5.35	-51.45
O=C(CCCC1=NC(C2=CC=CS2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210069	1	47	-1.0	-56.83	392.67	5.32	-51.51
COC1=CC=CC(COC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210070	0	50	-1.0	-54.33	382.58	6.43	-47.90
COC1=CC=CC(COC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210070	1	50	-1.0	-54.36	382.64	6.43	-47.93
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210071	0	50	-1.0	-57.78	402.40	3.65	-54.13
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210071	1	50	-1.0	-57.77	402.47	3.66	-54.11
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C(C)C)=N1	REAL300020210072	0	44	-1.0	-48.12	350.00	5.26	-42.86
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C(C)C)=N1	REAL300020210072	1	44	-1.0	-47.93	349.96	5.25	-42.68
CCCC1=NC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020210073	0	44	-1.0	-49.15	346.56	5.59	-43.56
CCCC1=NC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020210073	1	44	-1.0	-49.11	346.87	5.61	-43.50
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210074	0	51	-1.0	-57.18	401.36	6.56	-50.62
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210074	1	51	-1.0	-57.21	401.41	6.58	-50.63
O=C(C1=CC=C2C=CNC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210075	0	40	-1.0	-52.34	313.67	5.58	-46.76
O=C(C1=CC=C2C=CNC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210075	1	40	-1.0	-52.35	313.71	5.59	-46.76
O=C(C1=CC=C(N2CCOC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210076	0	45	-1.0	-59.02	345.98	5.40	-53.62
O=C(C1=CC=C(N2CCOC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210076	1	45	-1.0	-58.98	346.02	5.41	-53.57
O=C(C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210077	0	45	-1.0	-48.18	364.38	7.20	-40.98
O=C(C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210077	1	45	-1.0	-48.21	364.40	7.22	-40.99
O=C(C1=CC(N2CCNC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210078	0	46	-1.0	-63.75	354.69	4.26	-59.49
O=C(C1=CC(N2CCNC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210078	1	46	-1.0	-63.77	354.73	4.28	-59.49
CC1=NN(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020210079	0	48	-1.0	-54.30	368.18	6.76	-47.54
CC1=NN(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020210079	1	48	-1.0	-54.30	368.18	6.77	-47.53
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020210080	0	39	-1.0	-45.51	309.34	3.08	-42.43
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020210080	1	39	-1.0	-45.50	309.40	3.09	-42.41
CC(C)OC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210081	0	45	-1.0	-47.70	351.26	4.10	-43.60
CC(C)OC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210081	1	45	-1.0	-47.68	351.22	4.08	-43.60
O=C(CC1=NN2C=CC=NC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210082	0	40	-1.0	-62.88	324.11	6.09	-56.79
O=C(CC1=NN2C=CC=NC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210082	1	40	-1.0	-62.84	324.17	6.11	-56.73
O=C(C1=CN=C2NC(=O)NC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210083	0	41	-1.0	-46.83	330.63	0.79	-46.04
O=C(C1=CN=C2NC(=O)NC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210083	1	41	-1.0	-46.91	330.66	0.80	-46.11
CC(C)CS(=O)(=O)CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210084	0	47	-1.0	-50.61	365.11	3.54	-47.07
CC(C)CS(=O)(=O)CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210084	1	47	-1.0	-50.62	365.16	3.56	-47.06
O=C(C1=CC(Cl)=C(Br)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210085	0	34	-1.0	-45.02	300.37	4.76	-40.26
O=C(C1=CC(Cl)=C(Br)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210085	1	34	-1.0	-45.05	300.41	4.76	-40.29
O=C(C1=CC(C2=CC=CC=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210086	0	42	-1.0	-46.39	334.58	6.58	-39.81
O=C(C1=CC(C2=CC=CC=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210086	1	42	-1.0	-46.34	334.53	6.57	-39.77
O=C(CC1=CC=C(OC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210087	0	43	-1.0	-48.25	348.83	6.25	-42.00
O=C(CC1=CC=C(OC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210087	1	43	-1.0	-48.24	348.88	6.25	-41.99
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210088	0	50	-1.0	-49.25	388.82	8.57	-40.68
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210088	1	50	-1.0	-49.26	388.79	8.56	-40.70
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210089	0	52	-1.0	-54.23	412.32	8.30	-45.93
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210089	1	52	-1.0	-54.16	412.39	8.32	-45.84
N#CC1=CC=C(CSCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210090	0	44	-1.0	-52.71	373.25	7.89	-44.82
N#CC1=CC=C(CSCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210090	1	44	-1.0	-52.70	373.31	7.91	-44.79
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020210091	0	50	-1.0	-57.78	396.35	4.72	-53.06
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300020210091	1	50	-1.0	-57.76	396.29	4.70	-53.06
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC(F)F	REAL300020210092	0	44	-1.0	-53.23	350.69	5.06	-48.17
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC(F)F	REAL300020210092	1	44	-1.0	-53.23	350.73	5.07	-48.16
O=C(C1=CC(N2CCOC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210093	0	45	-1.0	-63.93	350.94	5.60	-58.33
O=C(C1=CC(N2CCOC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210093	1	45	-1.0	-63.92	350.98	5.62	-58.30
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C(C)(C)C	REAL300020210094	0	48	-1.0	-50.89	358.38	4.94	-45.95
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C(C)(C)C	REAL300020210094	1	48	-1.0	-50.89	358.48	4.95	-45.94
NC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1	REAL300020210095	0	38	-1.0	-59.69	300.72	-0.20	-59.89
NC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1	REAL300020210095	1	38	-1.0	-59.77	300.74	-0.20	-59.97
CC1=NN(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C=C1	REAL300020210096	0	46	-1.0	-52.23	358.36	7.11	-45.12
CC1=NN(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C=C1	REAL300020210096	1	46	-1.0	-52.24	358.36	7.11	-45.13
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210097	0	52	-1.0	-55.00	402.41	8.68	-46.32
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210097	1	52	-1.0	-55.07	402.44	8.71	-46.36
O=C(CS(=O)(=O)C1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210098	0	45	-1.0	-66.21	347.75	3.28	-62.93
O=C(CS(=O)(=O)C1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210098	1	45	-1.0	-66.24	347.80	3.28	-62.96
CCOC1=CC=CC2=C1OCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020210099	0	49	-1.0	-53.93	371.81	6.56	-47.37
CCOC1=CC=CC2=C1OCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020210099	1	49	-1.0	-53.93	371.85	6.56	-47.37
COC1=CC=CC=C1C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210100	0	47	-1.0	-51.97	365.79	5.42	-46.55
COC1=CC=CC=C1C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210100	1	47	-1.0	-51.98	365.87	5.41	-46.57
COC1=CC=C(C2=NNC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C(OC)=C1	REAL300020210101	0	51	-1.0	-51.52	395.22	4.69	-46.83
COC1=CC=C(C2=NNC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C(OC)=C1	REAL300020210101	1	51	-1.0	-51.44	395.29	4.70	-46.74
O=C(C1=CC(C2=CC=CS2)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210102	0	40	-1.0	-49.92	330.77	4.95	-44.97
O=C(C1=CC(C2=CC=CS2)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210102	1	40	-1.0	-49.87	330.84	4.95	-44.92
COC1=CC(C#N)=CC=C1OCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210103	0	51	-1.0	-55.96	409.37	6.80	-49.16
COC1=CC(C#N)=CC=C1OCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210103	1	51	-1.0	-55.97	409.43	6.82	-49.15
CC(C)CC1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210104	0	45	-1.0	-46.67	337.27	5.23	-41.44
CC(C)CC1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210104	1	45	-1.0	-46.64	337.32	5.24	-41.40
COCCOC(=O)C1=C(C)NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020210105	0	53	-1.0	-53.23	416.49	5.64	-47.59
COCCOC(=O)C1=C(C)NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020210105	1	53	-1.0	-53.27	416.53	5.64	-47.63
O=C(C1=CC2=CC([N+](=O)[O-])=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210106	0	41	-1.0	-47.08	335.11	6.77	-40.31
O=C(C1=CC2=CC([N+](=O)[O-])=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210106	1	41	-1.0	-47.07	335.17	6.78	-40.29
CCC(OC1=CC=CC=C1C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210107	0	49	-1.0	-53.70	360.71	7.72	-45.98
CCC(OC1=CC=CC=C1C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210107	1	49	-1.0	-53.71	360.76	7.74	-45.97
O=C(C1=CC(C2=CC=C3OCOC3=C2)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210108	0	46	-1.0	-48.58	364.07	4.39	-44.19
O=C(C1=CC(C2=CC=C3OCOC3=C2)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210108	1	46	-1.0	-48.61	364.12	4.39	-44.22
CCOC1=CC=CC=C1C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210109	0	50	-1.0	-51.82	387.64	6.35	-45.47
CCOC1=CC=CC=C1C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210109	1	50	-1.0	-51.82	387.72	6.34	-45.48
CC(C)C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210110	0	42	-1.0	-46.59	320.49	4.02	-42.57
CC(C)C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210110	1	42	-1.0	-46.59	320.54	4.04	-42.55
O=C(CC1=CC=C(N2C=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210111	0	46	-1.0	-50.69	361.24	7.66	-43.03
O=C(CC1=CC=C(N2C=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210111	1	46	-1.0	-50.72	361.18	7.66	-43.06
O=C(CCCOC1=CC=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210112	0	52	-1.0	-55.55	399.67	9.22	-46.33
O=C(CCCOC1=CC=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210112	1	52	-1.0	-55.59	399.72	9.24	-46.35
O=C(CCC1=CC=NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210113	0	41	-1.0	-48.25	319.55	5.54	-42.71
O=C(CCC1=CC=NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210113	1	41	-1.0	-48.29	319.60	5.55	-42.74
CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC1=O	REAL300020210114	0	39	-1.0	-48.61	304.68	4.18	-44.43
CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC1=O	REAL300020210114	1	39	-1.0	-48.60	304.71	4.19	-44.41
COC1=CC=C2C(=C1)C=CN2CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210115	0	47	-1.0	-53.76	370.64	6.78	-46.98
COC1=CC=C2C(=C1)C=CN2CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210115	1	47	-1.0	-53.75	370.71	6.81	-46.94
O=C(C1=CC2=C(Cl)C(Cl)=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210116	0	40	-1.0	-48.34	342.05	6.72	-41.62
O=C(C1=CC2=C(Cl)C(Cl)=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210116	1	40	-1.0	-48.42	342.09	6.73	-41.69
CC(OC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020210117	0	52	-1.0	-47.63	407.91	6.92	-40.71
CC(OC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020210117	1	52	-1.0	-47.65	407.88	6.92	-40.73
CC1=CC=C(C)N1C1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020210118	0	49	-1.0	-56.65	387.32	8.48	-48.17
CC1=CC=C(C)N1C1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020210118	1	49	-1.0	-56.92	387.29	8.43	-48.49
CC(=O)NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020210119	0	46	-1.0	-59.71	353.26	5.15	-54.56
CC(=O)NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020210119	1	46	-1.0	-59.66	353.29	5.15	-54.51
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C(C)(C)C	REAL300020210120	0	48	-1.0	-54.58	352.76	6.06	-48.52
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C(C)(C)C	REAL300020210120	1	48	-1.0	-54.61	352.81	6.10	-48.51
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300020210121	0	50	-1.0	-56.72	396.48	4.70	-52.02
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300020210121	1	50	-1.0	-56.78	396.54	4.73	-52.05
CC(C)CS(=O)(=O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210122	0	44	-1.0	-64.98	342.83	2.90	-62.08
CC(C)CS(=O)(=O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210122	1	44	-1.0	-64.99	342.88	2.91	-62.08
O=C(CCS(=O)(=O)C1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210123	0	48	-1.0	-49.51	374.99	3.50	-46.01
O=C(CCS(=O)(=O)C1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210123	1	48	-1.0	-49.49	375.06	3.51	-45.98
N#CC1=CC=C(CS(=O)(=O)CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210124	0	46	-1.0	-69.26	391.72	4.43	-64.83
N#CC1=CC=C(CS(=O)(=O)CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210124	1	46	-1.0	-69.23	391.78	4.44	-64.79
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020210125	0	43	-1.0	-52.13	329.82	6.03	-46.10
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020210125	1	43	-1.0	-52.12	329.87	6.04	-46.08
CC(C)C1=CC=C(SCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210126	0	49	-1.0	-50.60	381.98	8.92	-41.68
CC(C)C1=CC=C(SCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210126	1	49	-1.0	-50.62	382.03	8.94	-41.68
O=C(C1=C(Br)C=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210127	0	33	-1.0	-47.36	291.52	5.00	-42.36
O=C(C1=C(Br)C=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210127	1	33	-1.0	-47.36	291.52	5.00	-42.36
O=C(C1=CC2=CC(Cl)=C(Cl)C=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210128	0	40	-1.0	-45.61	340.58	6.87	-38.74
O=C(C1=CC2=CC(Cl)=C(Cl)C=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210128	1	40	-1.0	-45.61	340.63	6.88	-38.73
O=C(C1=NC(N2CCCC2)=NC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020210129	0	46	-1.0	-49.74	363.56	6.34	-43.40
O=C(C1=NC(N2CCCC2)=NC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020210129	1	46	-1.0	-49.76	363.52	6.33	-43.43
O=C(C1=CC=C(C2=CC=CC=C2)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210130	0	46	-1.0	-61.55	356.19	5.90	-55.65
O=C(C1=CC=C(C2=CC=CC=C2)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210130	1	46	-1.0	-61.55	356.15	5.89	-55.66
CC1=NN(C)C2=NC(C)=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C(C)=C12	REAL300020210131	0	53	-1.0	-55.59	402.67	6.67	-48.92
CC1=NN(C)C2=NC(C)=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C(C)=C12	REAL300020210131	1	53	-1.0	-55.63	402.73	6.70	-48.93
O=C(CCN1C2=C(C=CC=C2)C2=C1C=CC=C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020210132	0	52	-1.0	-50.23	403.46	10.57	-39.66
O=C(CCN1C2=C(C=CC=C2)C2=C1C=CC=C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020210132	1	52	-1.0	-50.19	403.51	10.58	-39.61
CC(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210133	0	48	-1.0	-50.73	377.91	4.36	-46.37
CC(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210133	1	48	-1.0	-50.67	377.91	4.38	-46.29
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300020210134	0	39	-1.0	-43.79	326.87	6.99	-36.80
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300020210134	1	39	-1.0	-43.79	326.92	6.99	-36.80
O=C(C1=CC2=C(CCC2)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210135	0	43	-1.0	-62.48	328.35	4.15	-58.33
O=C(C1=CC2=C(CCC2)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210135	1	43	-1.0	-62.53	328.40	4.16	-58.37
O=C(CN1CCCCCCC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210136	0	49	-1.0	-48.78	348.70	6.11	-42.67
O=C(CN1CCCCCCC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210136	1	49	-1.0	-48.78	348.75	6.13	-42.65
CN1C(=O)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020210137	0	45	-1.0	-55.77	349.86	6.33	-49.44
CN1C(=O)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020210137	1	45	-1.0	-55.74	349.91	6.35	-49.39
CC1=NN(C(C)CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020210138	0	48	-1.0	-46.61	360.27	6.24	-40.37
CC1=NN(C(C)CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020210138	1	48	-1.0	-46.57	360.30	6.24	-40.33
N#CCC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210139	0	40	-1.0	-52.11	322.23	6.54	-45.57
N#CCC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210139	1	40	-1.0	-52.13	322.26	6.53	-45.60
COC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020210140	0	41	-1.0	-48.32	328.89	5.04	-43.28
COC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020210140	1	41	-1.0	-48.31	328.83	5.04	-43.27
O=C(CC1=NN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210141	0	45	-1.0	-60.60	356.96	6.32	-54.28
O=C(CC1=NN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210141	1	45	-1.0	-60.56	357.01	6.34	-54.22
O=C(C1=CC=C(N2C=CNC2=S)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210142	0	44	-1.0	-57.69	362.98	8.13	-49.56
O=C(C1=CC=C(N2C=CNC2=S)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210142	1	44	-1.0	-57.68	363.03	8.14	-49.54
COC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020210143	0	51	-1.0	-52.28	401.07	7.06	-45.22
COC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020210143	1	51	-1.0	-52.30	401.12	7.07	-45.23
CCCCCCCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210144	0	56	-1.0	-47.75	415.07	9.69	-38.06
CCCCCCCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210144	1	56	-1.0	-47.73	415.12	9.70	-38.03
COC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210145	0	42	-1.0	-52.78	334.91	6.03	-46.75
COC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210145	1	42	-1.0	-52.81	334.95	6.04	-46.77
CC(NC(=O)C1CCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210146	0	49	-1.0	-45.83	361.69	4.46	-41.37
CC(NC(=O)C1CCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210146	1	49	-1.0	-45.89	361.75	4.45	-41.44
CC(C)(C)C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210147	0	45	-1.0	-46.84	340.54	4.63	-42.21
CC(C)(C)C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210147	1	45	-1.0	-46.84	340.58	4.63	-42.21
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210148	0	49	-1.0	-51.07	381.29	4.73	-46.34
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210148	1	49	-1.0	-51.04	381.35	4.74	-46.30
CC1=CC=C(C2=NNC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)O1	REAL300020210149	0	43	-1.0	-52.06	343.55	4.77	-47.29
CC1=CC=C(C2=NNC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)O1	REAL300020210149	1	43	-1.0	-52.07	343.63	4.78	-47.29
O=C(C1=NNC2=C1CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020210150	0	40	-1.0	-53.85	303.86	4.39	-49.46
O=C(C1=NNC2=C1CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020210150	1	40	-1.0	-53.87	303.92	4.41	-49.46
O=C(C1=NN(CC2=CC=CC=C2)C(=O)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210151	0	50	-1.0	-45.16	388.46	6.94	-38.22
O=C(C1=NN(CC2=CC=CC=C2)C(=O)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210151	1	50	-1.0	-45.17	388.52	6.94	-38.23
CC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=NC2=NN1	REAL300020210152	0	41	-1.0	-54.48	323.30	3.85	-50.63
CC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=NC2=NN1	REAL300020210152	1	41	-1.0	-54.49	323.34	3.85	-50.64
CC(C)(C)N1C=C(C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210153	0	47	-1.0	-48.02	361.04	5.11	-42.91
CC(C)(C)N1C=C(C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210153	1	47	-1.0	-48.02	361.10	5.13	-42.89
CN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=C2NC=NC2=NC=N1	REAL300020210154	0	45	-1.0	-48.71	341.73	5.45	-43.26
CN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=C2NC=NC2=NC=N1	REAL300020210154	1	45	-1.0	-48.73	341.76	5.45	-43.28
O=C(C1=C(Cl)N=C2C=CC=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210155	0	39	-1.0	-51.26	326.80	6.39	-44.87
O=C(C1=C(Cl)N=C2C=CC=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210155	1	39	-1.0	-51.25	326.75	6.37	-44.88
O=C(C1=NC(N2CCOCC2)=NC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020210156	0	47	-1.0	-45.72	369.20	5.14	-40.58
O=C(C1=NC(N2CCOCC2)=NC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020210156	1	47	-1.0	-45.74	369.14	5.13	-40.61
O=C(CN1C=CC([N+](=O)[O-])=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210157	0	38	-1.0	-65.22	317.62	5.25	-59.97
O=C(CN1C=CC([N+](=O)[O-])=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210157	1	38	-1.0	-65.23	317.56	5.24	-59.99
O=C(CCCC1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210158	0	45	-1.0	-49.36	367.60	8.20	-41.16
O=C(CCCC1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210158	1	45	-1.0	-49.36	367.66	8.22	-41.14
O=C(CCOC1=CC=C(F)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020210159	0	43	-1.0	-45.18	355.58	6.76	-38.42
O=C(CCOC1=CC=C(F)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020210159	1	43	-1.0	-45.16	355.63	6.76	-38.40
O=C(CCOC1=CC(Cl)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020210160	0	43	-1.0	-46.12	370.60	6.80	-39.32
O=C(CCOC1=CC(Cl)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020210160	1	43	-1.0	-46.16	370.66	6.82	-39.34
CC(C)C(=O)NC1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020210161	0	48	-1.0	-53.86	387.59	4.69	-49.17
CC(C)C(=O)NC1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020210161	1	48	-1.0	-53.86	387.65	4.71	-49.15
O=C(C1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210162	0	49	-1.0	-54.04	388.40	7.06	-46.98
O=C(C1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210162	1	49	-1.0	-54.02	388.36	7.04	-46.98
O=C(C1=CC=C(OC2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210163	0	46	-1.0	-48.37	366.05	5.66	-42.71
O=C(C1=CC=C(OC2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210163	1	46	-1.0	-48.42	366.03	5.65	-42.77
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(Br)=C1	REAL300020210164	0	36	-1.0	-44.64	299.84	5.14	-39.50
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(Br)=C1	REAL300020210164	1	36	-1.0	-44.74	299.90	5.15	-39.59
O=C(CCCN1C=NC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210165	0	48	-1.0	-57.28	378.21	8.47	-48.81
O=C(CCCN1C=NC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210165	1	48	-1.0	-57.31	378.27	8.49	-48.82
O=C(CSCC1=COC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210166	0	49	-1.0	-59.04	404.41	6.31	-52.73
O=C(CSCC1=COC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210166	1	49	-1.0	-59.05	404.36	6.30	-52.75
CCCCS(=O)(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020210167	0	56	-1.0	-50.18	420.89	4.62	-45.56
CCCCS(=O)(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020210167	1	56	-1.0	-50.19	420.94	4.62	-45.57
O=C(COC1CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210168	0	46	-1.0	-50.01	344.40	5.93	-44.08
O=C(COC1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210168	1	46	-1.0	-50.01	344.46	5.95	-44.06
CC(C)(C)N1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1CC1	REAL300020210169	0	52	-1.0	-54.78	383.77	7.56	-47.22
CC(C)(C)N1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1CC1	REAL300020210169	1	52	-1.0	-54.81	383.82	7.57	-47.24
O=C(C1=C(Cl)C2=CC=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210170	0	40	-1.0	-49.17	327.40	6.24	-42.93
O=C(C1=C(Cl)C2=CC=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210170	1	40	-1.0	-49.18	327.42	6.26	-42.92
O=C(C1=C(Cl)C2=CC(F)=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210171	0	40	-1.0	-47.95	333.23	6.30	-41.65
O=C(C1=C(Cl)C2=CC(F)=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210171	1	40	-1.0	-47.95	333.25	6.30	-41.65
O=C(CN1CCCS1(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210172	0	41	-1.0	-60.68	329.76	0.81	-59.87
O=C(CN1CCCS1(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210172	1	41	-1.0	-60.70	329.83	0.81	-59.89
CC(SCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210173	0	46	-1.0	-50.09	368.62	7.92	-42.17
CC(SCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210173	1	46	-1.0	-50.07	368.68	7.95	-42.12
CCCOC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210174	0	46	-1.0	-50.48	352.83	6.40	-44.08
CCCOC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210174	1	46	-1.0	-50.50	352.86	6.39	-44.11
O=C(CC1=CSC2=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020210175	0	42	-1.0	-49.57	343.24	7.53	-42.04
O=C(CC1=CSC2=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020210175	1	42	-1.0	-49.62	343.31	7.56	-42.06
O=C(C1=CSC([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210176	0	35	-1.0	-47.00	299.96	5.25	-41.75
O=C(C1=CSC([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210176	1	35	-1.0	-46.99	300.01	5.25	-41.74
O=C(C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210177	0	50	-1.0	-44.18	394.78	7.01	-37.17
O=C(C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210177	1	50	-1.0	-44.24	394.83	7.01	-37.23
O=C(C1CCCC(C(F)(F)F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210178	0	45	-1.0	-51.35	337.23	6.69	-44.66
O=C(C1CCCC(C(F)(F)F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210178	1	45	-1.0	-51.32	337.27	6.70	-44.62
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CC=CC=C1	REAL300020210179	0	39	-1.0	-43.96	310.33	6.40	-37.56
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CC=CC=C1	REAL300020210179	1	39	-1.0	-44.00	310.38	6.40	-37.60
O=C(C1CC(C2=CC=CC=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210180	0	44	-1.0	-55.11	348.90	6.45	-48.66
O=C(C1CC(C2=CC=CC=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210180	1	44	-1.0	-55.10	348.96	6.47	-48.63
O=C(C1=CN(C2=CC=C(Cl)C=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210181	0	43	-1.0	-47.65	352.91	7.05	-40.60
O=C(C1=CN(C2=CC=C(Cl)C=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210181	1	43	-1.0	-47.69	352.93	7.07	-40.62
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210182	0	55	-1.0	-50.41	410.59	8.77	-41.64
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210182	1	55	-1.0	-50.37	410.65	8.79	-41.58
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210183	0	55	-1.0	-53.57	402.01	8.76	-44.81
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210183	1	55	-1.0	-53.59	402.06	8.76	-44.83
CC1=CC(OC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(C)C	REAL300020210184	0	55	-1.0	-54.98	402.87	8.99	-45.99
CC1=CC(OC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(C)C	REAL300020210184	1	55	-1.0	-55.01	402.92	8.98	-46.03
CC(C)OC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210185	0	50	-1.0	-49.92	381.44	7.77	-42.15
CC(C)OC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210185	1	50	-1.0	-49.93	381.50	7.78	-42.15
CCCOC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210186	0	50	-1.0	-49.59	384.82	7.95	-41.64
CCCOC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210186	1	50	-1.0	-49.66	384.87	7.95	-41.71
O=C(CC(F)(F)F)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210187	0	39	-1.0	-44.81	319.47	2.32	-42.49
O=C(CC(F)(F)F)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210187	1	39	-1.0	-44.83	319.52	2.33	-42.50
CC1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1Cl	REAL300020210188	0	42	-1.0	-52.62	346.66	5.09	-47.53
CC1=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1Cl	REAL300020210188	1	42	-1.0	-52.60	346.72	5.10	-47.50
COCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC1=O	REAL300020210189	0	46	-1.0	-51.53	357.98	4.80	-46.73
COCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC1=O	REAL300020210189	1	46	-1.0	-51.49	358.02	4.81	-46.68
O=C(CCC1=CC=C(Cl)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210190	0	39	-1.0	-44.63	331.49	6.97	-37.66
O=C(CCC1=CC=C(Cl)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210190	1	39	-1.0	-44.65	331.54	6.97	-37.68
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300020210191	0	45	-1.0	-56.68	352.23	3.53	-53.15
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300020210191	1	45	-1.0	-56.70	352.26	3.54	-53.16
O=C(CC1=CC=CC(F)=C1)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210192	0	46	-1.0	-46.88	373.35	4.60	-42.28
O=C(CC1=CC=CC(F)=C1)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210192	1	46	-1.0	-46.84	373.41	4.62	-42.22
CC(C)C1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210193	0	51	-1.0	-46.06	389.59	8.83	-37.23
CC(C)C1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210193	1	51	-1.0	-46.04	389.65	8.85	-37.19
O=C(COC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210194	0	43	-1.0	-50.63	355.60	6.84	-43.79
O=C(COC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210194	1	43	-1.0	-50.62	355.66	6.86	-43.76
CCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210195	0	42	-1.0	-46.72	328.90	2.98	-43.74
CCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210195	1	42	-1.0	-46.72	328.87	2.98	-43.74
O=C(CCN1CCCS1(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210196	0	44	-1.0	-56.97	351.62	1.43	-55.54
O=C(CCN1CCCS1(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210196	1	44	-1.0	-56.96	351.68	1.44	-55.52
O=C(CC1=CSC(C2=NC=CC=N2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210197	0	43	-1.0	-61.63	363.31	4.39	-57.24
O=C(CC1=CSC(C2=NC=CC=N2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210197	1	43	-1.0	-61.67	363.38	4.41	-57.26
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2=NC=CC=N2)=N1	REAL300020210198	0	43	-1.0	-54.18	357.15	4.30	-49.88
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2=NC=CC=N2)=N1	REAL300020210198	1	43	-1.0	-54.17	357.18	4.30	-49.87
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC1CCCC1	REAL300020210199	0	54	-1.0	-49.78	402.95	7.49	-42.29
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC1CCCC1	REAL300020210199	1	54	-1.0	-49.79	402.98	7.49	-42.30
CC(SC1=NN=CN1C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210200	0	42	-1.0	-48.82	339.84	6.35	-42.47
CC(SC1=NN=CN1C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210200	1	42	-1.0	-48.81	339.77	6.34	-42.47
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210201	0	43	-1.0	-52.45	357.15	7.46	-44.99
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210201	1	43	-1.0	-52.39	357.10	7.48	-44.91
COC1=CC=C(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210202	0	47	-1.0	-55.01	367.26	5.90	-49.11
COC1=CC=C(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210202	1	47	-1.0	-55.05	367.31	5.92	-49.13
CN1C=C(C2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CS2)C=N1	REAL300020210203	0	42	-1.0	-53.63	347.69	4.77	-48.86
CN1C=C(C2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CS2)C=N1	REAL300020210203	1	42	-1.0	-53.62	347.64	4.76	-48.86
O=C(CN1C=C(Br)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210204	0	36	-1.0	-54.11	308.86	4.19	-49.92
O=C(CN1C=C(Br)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210204	1	36	-1.0	-54.15	308.80	4.18	-49.97
CC(NC(=O)C1=COC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210205	0	43	-1.0	-48.36	336.69	2.87	-45.49
CC(NC(=O)C1=COC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210205	1	43	-1.0	-48.45	336.75	2.86	-45.59
CC1=CC(C)=C(C(=O)CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020210206	0	56	-1.0	-58.09	429.16	9.77	-48.32
CC1=CC(C)=C(C(=O)CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020210206	1	56	-1.0	-58.11	429.21	9.77	-48.34
CCN1C(=O)NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2C1=O	REAL300020210207	0	48	-1.0	-47.24	376.13	4.92	-42.32
CCN1C(=O)NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2C1=O	REAL300020210207	1	48	-1.0	-47.28	376.16	4.92	-42.36
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020210208	0	45	-1.0	-61.48	362.43	4.31	-57.17
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020210208	1	45	-1.0	-61.49	362.48	4.31	-57.18
O=C(C1=C2NC(=O)C3=CC=CC=C3N2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210209	0	45	-1.0	-58.40	361.15	5.17	-53.23
O=C(C1=C2NC(=O)C3=CC=CC=C3N2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210209	1	45	-1.0	-58.18	361.18	5.23	-52.95
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210210	0	50	-1.0	-49.77	385.71	6.69	-43.08
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210210	1	50	-1.0	-49.78	385.77	6.72	-43.06
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020210211	0	45	-1.0	-49.12	363.86	7.16	-41.96
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020210211	1	45	-1.0	-49.15	363.92	7.18	-41.97
CCOC1=CC=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=C1	REAL300020210212	0	47	-1.0	-51.17	365.86	5.68	-45.49
CCOC1=CC=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=C1	REAL300020210212	1	47	-1.0	-50.91	365.95	5.75	-45.16
CC1=CC(OC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020210213	0	46	-1.0	-51.84	361.27	7.53	-44.31
CC1=CC(OC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020210213	1	46	-1.0	-51.90	361.32	7.54	-44.36
CCC(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210214	0	46	-1.0	-63.07	356.80	5.08	-57.99
CCC(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210214	1	46	-1.0	-63.08	356.84	5.07	-58.01
O=C(CCCOCCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210215	0	52	-1.0	-51.27	401.51	8.09	-43.18
O=C(CCCOCCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210215	1	52	-1.0	-51.29	401.56	8.09	-43.20
CCC(=O)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020210216	0	49	-1.0	-49.67	357.15	5.31	-44.36
CCC(=O)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020210216	1	49	-1.0	-49.65	357.21	5.34	-44.31
O=C(C1=CC=CC2=C1OCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020210217	0	39	-1.0	-57.75	302.70	3.91	-53.84
O=C(C1=CC=CC2=C1OCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020210217	1	39	-1.0	-57.74	302.75	3.91	-53.83
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210218	0	55	-1.0	-51.29	410.33	8.79	-42.50
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210218	1	55	-1.0	-51.26	410.39	8.81	-42.45
CC1=CC=C(Cl)C(OC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210219	0	46	-1.0	-53.70	367.75	7.35	-46.35
CC1=CC=C(Cl)C(OC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210219	1	46	-1.0	-53.70	367.81	7.37	-46.33
CC(C)C1=CC(OC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1	REAL300020210220	0	52	-1.0	-53.36	386.27	8.30	-45.06
CC(C)C1=CC(OC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1	REAL300020210220	1	52	-1.0	-53.33	386.32	8.31	-45.02
O=C(C1=C(Cl)N=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210221	0	32	-1.0	-47.98	282.76	3.02	-44.96
O=C(C1=C(Cl)N=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210221	1	32	-1.0	-47.98	282.74	3.02	-44.96
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC2=CC=CC=C12	REAL300020210222	0	44	-1.0	-52.34	337.40	7.11	-45.23
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC2=CC=CC=C12	REAL300020210222	1	44	-1.0	-52.35	337.45	7.13	-45.22
N#CC1=CC=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210223	0	41	-1.0	-55.47	332.85	6.45	-49.02
N#CC1=CC=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210223	1	41	-1.0	-55.44	332.90	6.45	-48.99
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210224	0	47	-1.0	-52.75	380.95	2.41	-50.34
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210224	1	47	-1.0	-52.69	380.96	2.43	-50.26
COC1=CC=C2OC(C)=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020210225	0	46	-1.0	-49.73	366.85	5.73	-44.00
COC1=CC=C2OC(C)=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020210225	1	46	-1.0	-49.68	366.92	5.75	-43.93
O=C(C1=NOC(C2=CC=NC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210226	0	41	-1.0	-47.58	329.32	5.31	-42.27
O=C(C1=NOC(C2=CC=NC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210226	1	41	-1.0	-47.53	329.38	5.31	-42.22
O=C(C1=CC=C(C2=CN=CO2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210227	0	42	-1.0	-50.70	332.43	3.71	-46.99
O=C(C1=CC=C(C2=CN=CO2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210227	1	42	-1.0	-50.68	332.43	3.69	-46.99
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020210228	0	48	-1.0	-55.28	392.05	7.59	-47.69
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020210228	1	48	-1.0	-55.30	392.10	7.60	-47.70
CC(C)SC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210229	0	46	-1.0	-48.03	355.90	7.79	-40.24
CC(C)SC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210229	1	46	-1.0	-48.19	355.64	7.84	-40.35
O=C(C1=CC=C(SCC2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210230	0	50	-1.0	-49.29	399.56	10.19	-39.10
O=C(C1=CC=C(SCC2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210230	1	50	-1.0	-49.27	399.56	10.21	-39.06
O=C(CSCC1=CC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210231	0	42	-1.0	-53.80	342.68	6.06	-47.74
O=C(CSCC1=CC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210231	1	42	-1.0	-53.78	342.74	6.07	-47.71
O=C(CSCC1=CC=NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210232	0	42	-1.0	-52.89	342.57	6.14	-46.75
O=C(CSCC1=CC=NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210232	1	42	-1.0	-52.91	342.62	6.16	-46.75
CC1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1Br	REAL300020210233	0	42	-1.0	-52.59	350.61	5.18	-47.41
CC1=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1Br	REAL300020210233	1	42	-1.0	-52.59	350.67	5.19	-47.40
O=C(C1=CC=NC(N2C=CN=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210234	0	42	-1.0	-48.34	335.08	7.24	-41.10
O=C(C1=CC=NC(N2C=CN=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210234	1	42	-1.0	-48.38	335.13	7.25	-41.13
O=C(CCSCC1=CC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210235	0	45	-1.0	-48.44	369.05	6.42	-42.02
O=C(CCSCC1=CC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210235	1	45	-1.0	-48.46	369.11	6.44	-42.02
O=C(C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210236	0	47	-1.0	-47.99	376.00	6.66	-41.33
O=C(C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210236	1	47	-1.0	-47.99	376.06	6.68	-41.31
COC1=CC=C(Cl)C=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210237	0	44	-1.0	-51.94	356.77	6.81	-45.13
COC1=CC=C(Cl)C=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210237	1	44	-1.0	-51.96	356.82	6.82	-45.14
O=C(C1=CC2=CC=CC([N+](=O)[O-])=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210238	0	42	-1.0	-50.51	340.46	6.22	-44.29
O=C(C1=CC2=CC=CC([N+](=O)[O-])=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210238	1	42	-1.0	-49.28	339.73	6.51	-42.77
O=C(C1=NOC2=C1CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020210239	0	42	-1.0	-50.12	316.52	5.96	-44.16
O=C(C1=NOC2=C1CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020210239	1	42	-1.0	-50.09	316.57	5.97	-44.12
COC1=CC=C(C(=O)CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210240	0	51	-1.0	-60.48	400.39	6.82	-53.66
COC1=CC=C(C(=O)CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210240	1	51	-1.0	-60.44	400.45	6.84	-53.60
CC(SC1=CC=CC=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210241	0	43	-1.0	-52.03	351.89	7.80	-44.23
CC(SC1=CC=CC=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210241	1	43	-1.0	-52.05	351.93	7.80	-44.25
CC(=O)NC1=CC=C(SC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210242	0	50	-1.0	-53.18	401.10	6.10	-47.08
CC(=O)NC1=CC=C(SC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210242	1	50	-1.0	-53.18	401.16	6.11	-47.07
COC1=CC=C(SC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210243	0	47	-1.0	-48.19	374.68	6.49	-41.70
COC1=CC=C(SC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210243	1	47	-1.0	-48.16	374.75	6.51	-41.65
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210244	0	36	-1.0	-43.98	294.69	5.34	-38.64
O=C(C1=CC=C([N+](=O)[O-])N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210244	1	36	-1.0	-43.97	294.78	5.32	-38.65
O=C(CCCOC1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210245	0	46	-1.0	-50.39	371.19	7.36	-43.03
O=C(CCCOC1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210245	1	46	-1.0	-50.40	371.24	7.36	-43.04
O=C(CCOC1=CC=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020210246	0	43	-1.0	-47.58	353.56	6.80	-40.78
O=C(CCOC1=CC=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020210246	1	43	-1.0	-47.59	353.61	6.81	-40.78
O=C(CCOC1=CC=C(Cl)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020210247	0	43	-1.0	-45.00	365.90	7.20	-37.80
O=C(CCOC1=CC=C(Cl)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020210247	1	43	-1.0	-45.04	365.95	7.21	-37.83
CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210248	0	41	-1.0	-50.46	324.16	4.87	-45.59
CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210248	1	41	-1.0	-50.44	324.23	4.87	-45.57
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020210249	0	39	-1.0	-55.23	299.52	2.51	-52.72
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020210249	1	39	-1.0	-55.21	299.57	2.52	-52.69
O=C(CC1CCCC(C(F)(F)F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210250	0	48	-1.0	-47.51	353.49	7.43	-40.08
O=C(CC1CCCC(C(F)(F)F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210250	1	48	-1.0	-47.46	353.56	7.45	-40.01
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210251	0	51	-1.0	-56.46	400.31	7.94	-48.52
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210251	1	51	-1.0	-56.49	400.25	7.95	-48.54
O=C(CCC1=CC=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020210252	0	42	-1.0	-46.81	345.26	7.30	-39.51
O=C(CCC1=CC=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020210252	1	42	-1.0	-46.83	345.33	7.31	-39.52
O=C(C1=CC=C(Br)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020210253	0	36	-1.0	-46.06	313.22	6.41	-39.65
O=C(C1=CC=C(Br)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020210253	1	36	-1.0	-46.07	313.17	6.41	-39.66
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC(C)(C)C	REAL300020210254	0	50	-1.0	-47.23	351.42	7.10	-40.13
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC(C)(C)C	REAL300020210254	1	50	-1.0	-47.22	351.47	7.10	-40.12
CC1=CC(Br)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210255	0	39	-1.0	-38.06	321.93	7.08	-30.98
CC1=CC(Br)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210255	1	39	-1.0	-38.05	321.99	7.10	-30.95
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210256	0	45	-1.0	-49.95	378.08	9.05	-40.90
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210256	1	45	-1.0	-49.94	378.14	9.07	-40.87
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=C(Br)C=N1	REAL300020210257	0	39	-1.0	-46.67	321.52	4.68	-41.99
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=C(Br)C=N1	REAL300020210257	1	39	-1.0	-46.70	321.47	4.67	-42.03
CC(C)NC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210258	0	51	-1.0	-53.73	390.18	4.36	-49.37
CC(C)NC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210258	1	51	-1.0	-53.74	390.24	4.36	-49.38
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210259	0	48	-1.0	-56.00	383.16	6.55	-49.45
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210259	1	48	-1.0	-55.96	383.23	6.56	-49.40
COC1=CC=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210260	0	44	-1.0	-56.55	341.50	5.35	-51.20
COC1=CC=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210260	1	44	-1.0	-56.63	341.55	5.36	-51.27
O=C(C1=CC2=CC=C(OC(F)(F)F)C=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210261	0	44	-1.0	-48.52	360.49	5.25	-43.27
O=C(C1=CC2=CC=C(OC(F)(F)F)C=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210261	1	44	-1.0	-48.35	360.58	5.32	-43.03
O=C(C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1)N1CCCC1	REAL300020210262	0	48	-1.0	-61.66	363.38	4.47	-57.19
O=C(C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1)N1CCCC1	REAL300020210262	1	48	-1.0	-61.62	363.43	4.49	-57.13
O=C(CCCNC(=O)OCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210263	0	53	-1.0	-49.92	417.98	5.95	-43.97
O=C(CCCNC(=O)OCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210263	1	53	-1.0	-49.92	418.03	5.96	-43.96
O=C(NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1)C1=CC=CO1	REAL300020210264	0	47	-1.0	-62.31	376.53	5.39	-56.92
O=C(NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1)C1=CC=CO1	REAL300020210264	1	47	-1.0	-62.36	376.57	5.39	-56.97
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210265	0	58	0.0	-71.89	423.45	8.42	-63.47
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210265	1	58	0.0	-71.85	423.49	8.43	-63.42
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020210266	0	44	-1.0	-45.93	360.54	6.87	-39.06
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020210266	1	44	-1.0	-45.94	360.60	6.89	-39.05
CC1=NN2C(=C1)N=C(C)C=C2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210267	0	44	-1.0	-53.27	342.36	6.01	-47.26
CC1=NN2C(=C1)N=C(C)C=C2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210267	1	44	-1.0	-53.32	342.43	6.02	-47.30
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=C(Cl)C=N1	REAL300020210268	0	39	-1.0	-46.96	316.89	4.57	-42.39
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=C(Cl)C=N1	REAL300020210268	1	39	-1.0	-46.97	316.84	4.57	-42.40
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210269	0	59	0.0	-76.19	429.77	6.39	-69.80
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210269	1	59	0.0	-76.12	429.78	6.42	-69.70
O=C(C1=C2NC=NC2=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210270	0	39	-1.0	-43.53	305.94	5.14	-38.39
O=C(C1=C2NC=NC2=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210270	1	39	-1.0	-43.49	305.97	5.16	-38.33
CCC1=NOC(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020210271	0	46	-1.0	-55.37	359.23	4.28	-51.09
CCC1=NOC(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020210271	1	46	-1.0	-55.37	359.27	4.30	-51.07
CCCC1=NOC(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020210272	0	49	-1.0	-55.27	380.72	5.06	-50.21
CCCC1=NOC(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020210272	1	49	-1.0	-55.25	380.77	5.07	-50.18
CCCCC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210273	0	56	-1.0	-45.20	435.47	9.73	-35.47
CCCCC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210273	1	56	-1.0	-45.20	435.53	9.74	-35.46
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300020210274	0	50	-1.0	-50.59	398.51	9.88	-40.71
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300020210274	1	50	-1.0	-50.63	398.56	9.88	-40.75
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC(C)=C1C(C)=O	REAL300020210275	0	48	-1.0	-55.27	374.81	5.99	-49.28
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC(C)=C1C(C)=O	REAL300020210275	1	48	-1.0	-55.34	374.96	6.00	-49.34
CN(C)C1=NC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)S1	REAL300020210276	0	43	-1.0	-51.45	359.37	5.69	-45.76
CN(C)C1=NC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)S1	REAL300020210276	1	43	-1.0	-51.44	359.31	5.68	-45.76
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1C1=CC(C)=CC=C1	REAL300020210277	0	48	-1.0	-47.93	370.91	6.87	-41.06
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1C1=CC(C)=CC=C1	REAL300020210277	1	48	-1.0	-47.91	370.96	6.87	-41.04
O=C(CCN1C=C(Br)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210278	0	39	-1.0	-44.60	332.08	4.69	-39.91
O=C(CCN1C=C(Br)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210278	1	39	-1.0	-44.60	332.02	4.66	-39.94
NC(=O)C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020210279	0	47	-1.0	-59.41	371.78	4.59	-54.82
NC(=O)C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020210279	1	47	-1.0	-59.40	371.83	4.60	-54.80
O=C(C1=CC=C([N+](=O)[O-])C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210280	0	38	-1.0	-47.34	311.74	6.03	-41.31
O=C(C1=CC=C([N+](=O)[O-])C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210280	1	38	-1.0	-47.35	311.71	6.04	-41.31
CC(C)(C)NS(=O)(=O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210281	0	46	-1.0	-61.10	347.03	0.89	-60.21
CC(C)(C)NS(=O)(=O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210281	1	46	-1.0	-61.08	347.10	0.90	-60.18
O=C(C1=CN=C2NC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020210282	0	39	-1.0	-66.71	309.58	5.00	-61.71
O=C(C1=CN=C2NC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020210282	1	39	-1.0	-66.71	309.64	5.03	-61.68
O=C(CCCS(=O)(=O)N1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210283	0	50	-1.0	-59.92	393.67	3.08	-56.84
O=C(CCCS(=O)(=O)N1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210283	1	50	-1.0	-59.86	393.73	3.10	-56.76
CC(C(=O)N(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=CC=N1	REAL300020210284	0	49	-1.0	-55.98	374.90	4.71	-51.27
CC(C(=O)N(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=CC=N1	REAL300020210284	1	49	-1.0	-55.98	374.85	4.68	-51.30
O=C(C=C(C1CC1)C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210285	0	44	-1.0	-47.12	320.82	7.64	-39.48
O=C(C=C(C1CC1)C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210285	1	44	-1.0	-47.08	320.86	7.65	-39.43
O=C(CCN1C=C(Cl)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210286	0	39	-1.0	-44.71	327.45	4.58	-40.13
O=C(CCN1C=C(Cl)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210286	1	39	-1.0	-44.73	327.39	4.56	-40.17
O=C(C1=NOC(C2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210287	0	44	-1.0	-44.49	344.01	6.30	-38.19
O=C(C1=NOC(C2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210287	1	44	-1.0	-44.49	344.06	6.30	-38.19
N#CC1=C(N)N(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)N=C1	REAL300020210288	0	46	-1.0	-52.55	369.41	5.91	-46.64
N#CC1=C(N)N(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)N=C1	REAL300020210288	1	46	-1.0	-52.57	369.36	5.91	-46.66
O=C(CC1=CC=C(F)C(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210289	0	39	-1.0	-50.23	330.28	7.15	-43.08
O=C(CC1=CC=C(F)C(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210289	1	39	-1.0	-50.23	330.34	7.17	-43.06
CC(C)OC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020210290	0	45	-1.0	-45.04	365.57	4.48	-40.56
CC(C)OC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020210290	1	45	-1.0	-45.00	365.53	4.47	-40.53
CC(=CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020210291	0	43	-1.0	-43.99	337.76	7.61	-36.38
CC(=CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020210291	1	43	-1.0	-43.97	337.81	7.61	-36.36
O=C(CCC1=CC2=CC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210292	0	48	-1.0	-48.91	370.61	9.50	-39.41
O=C(CCC1=CC2=CC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210292	1	48	-1.0	-48.89	370.66	9.51	-39.38
O=C(C1=CC(F)=CC2=C1NC(=S)N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020210293	0	40	-1.0	-50.66	331.79	5.10	-45.56
O=C(C1=CC(F)=CC2=C1NC(=S)N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020210293	1	40	-1.0	-50.72	331.76	5.14	-45.58
O=C(CNC(=O)NC1CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210294	0	51	-1.0	-46.05	380.35	3.30	-42.75
O=C(CNC(=O)NC1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210294	1	51	-1.0	-46.01	380.40	3.30	-42.71
O=C(C1=CN=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210295	0	41	-1.0	-52.51	316.17	5.76	-46.75
O=C(C1=CN=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210295	1	41	-1.0	-52.48	316.18	5.74	-46.74
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)N1CCC2=C(C=CS2)C1	REAL300020210296	0	50	-1.0	-45.78	391.05	7.07	-38.71
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCC2=C(C=CS2)C1	REAL300020210296	1	50	-1.0	-45.83	391.10	7.07	-38.76
CC(C)S(=O)(=O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210297	0	41	-1.0	-65.23	323.31	1.95	-63.28
CC(C)S(=O)(=O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210297	1	41	-1.0	-65.24	323.36	1.95	-63.29
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210298	0	43	-1.0	-49.33	352.80	7.04	-42.29
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210298	1	43	-1.0	-49.32	352.77	7.05	-42.27
CCCC(C)N1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1=O	REAL300020210299	0	52	-1.0	-47.36	385.91	6.20	-41.16
CCCC(C)N1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1=O	REAL300020210299	1	52	-1.0	-47.37	385.97	6.21	-41.16
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1C1=CC=C(C)C=C1	REAL300020210300	0	48	-1.0	-48.44	368.92	6.78	-41.66
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1C1=CC=C(C)C=C1	REAL300020210300	1	48	-1.0	-48.39	368.97	6.80	-41.59
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1C1=CC=CC(Cl)=C1	REAL300020210301	0	45	-1.0	-48.17	364.19	6.63	-41.54
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300020210301	1	45	-1.0	-48.18	364.24	6.64	-41.54
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL300020210302	0	45	-1.0	-48.23	348.10	6.12	-42.11
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL300020210302	1	45	-1.0	-48.22	348.16	6.13	-42.09
CCCC(=O)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020210303	0	52	-1.0	-54.58	379.04	6.09	-48.49
CCCC(=O)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020210303	1	52	-1.0	-54.59	379.09	6.10	-48.49
CCOC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210304	0	43	-1.0	-50.80	331.33	5.60	-45.20
CCOC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210304	1	43	-1.0	-50.81	331.36	5.59	-45.22
CN1C=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210305	0	42	-1.0	-51.27	327.36	5.04	-46.23
CN1C=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210305	1	42	-1.0	-51.27	327.31	5.03	-46.24
CC1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020210306	0	36	-1.0	-45.31	301.43	3.40	-41.91
CC1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020210306	1	36	-1.0	-45.33	301.49	3.41	-41.92
O=C(NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1)NC1CC1	REAL300020210307	0	49	-1.0	-58.40	384.34	4.81	-53.59
O=C(NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1)NC1CC1	REAL300020210307	1	49	-1.0	-58.40	384.38	4.83	-53.57
CCS(=O)(=O)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020210308	0	50	-1.0	-58.43	377.57	3.01	-55.42
CCS(=O)(=O)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020210308	1	50	-1.0	-58.41	377.63	3.03	-55.38
CN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=NC2=CC=CC=C2S1	REAL300020210309	0	46	-1.0	-50.27	370.08	7.48	-42.79
CN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=NC2=CC=CC=C2S1	REAL300020210309	1	46	-1.0	-50.27	370.03	7.47	-42.80
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1CCNC1=O	REAL300020210310	0	49	-1.0	-59.73	378.79	5.28	-54.45
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1CCNC1=O	REAL300020210310	1	49	-1.0	-59.72	378.82	5.28	-54.44
O=C(CC1=CC2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210311	0	42	-1.0	-53.20	334.78	6.70	-46.50
O=C(CC1=CC2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210311	1	42	-1.0	-53.17	334.84	6.73	-46.44
O=C(CSC1=NN=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210312	0	35	-1.0	-46.61	309.48	2.86	-43.75
O=C(CSC1=NN=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210312	1	35	-1.0	-46.62	309.41	2.85	-43.77
O=C(C=CC1=CC2=CC=CN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210313	0	45	-1.0	-51.39	352.82	7.29	-44.10
O=C(C=CC1=CC2=CC=CN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210313	1	45	-1.0	-51.40	352.88	7.29	-44.11
CCC1=NOC2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020210314	0	43	-1.0	-45.71	339.91	3.49	-42.22
CCC1=NOC2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020210314	1	43	-1.0	-45.76	339.95	3.50	-42.26
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC2=CC=C(F)C=C21	REAL300020210315	0	42	-1.0	-48.67	338.28	7.75	-40.92
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC2=CC=C(F)C=C21	REAL300020210315	1	42	-1.0	-48.69	338.28	7.77	-40.92
CC(C)(C)CC(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210316	0	48	-1.0	-43.65	355.24	3.79	-39.86
CC(C)(C)CC(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210316	1	48	-1.0	-43.66	355.29	3.79	-39.87
O=C(CSCC1=CC=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210317	0	42	-1.0	-52.90	342.40	6.07	-46.83
O=C(CSCC1=CC=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210317	1	42	-1.0	-52.90	342.35	6.07	-46.83
O=C(CC1=CC=C2OCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210318	0	42	-1.0	-52.39	333.78	4.71	-47.68
O=C(CC1=CC=C2OCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210318	1	42	-1.0	-52.42	333.85	4.71	-47.71
COC1=CC=CC(C(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210319	0	46	-1.0	-48.66	347.10	6.15	-42.51
COC1=CC=CC(C(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210319	1	46	-1.0	-48.68	347.14	6.16	-42.52
CCSCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210320	0	46	-1.0	-51.00	365.74	8.09	-42.91
CCSCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210320	1	46	-1.0	-50.93	365.74	8.11	-42.82
COC(=O)COC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210321	0	46	-1.0	-57.38	365.83	6.30	-51.08
COC(=O)COC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210321	1	46	-1.0	-57.45	365.87	6.29	-51.16
COC(=O)COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210322	0	46	-1.0	-53.71	363.91	6.24	-47.47
COC(=O)COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210322	1	46	-1.0	-53.72	363.91	6.26	-47.46
O=C(C1=CC2=C(C=CS2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210323	0	36	-1.0	-51.46	306.02	6.03	-45.43
O=C(C1=CC2=C(C=CS2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210323	1	36	-1.0	-51.45	306.06	6.03	-45.42
COC1=CC=C2C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC(=O)OC2=C1	REAL300020210324	0	48	-1.0	-57.23	381.86	6.74	-50.49
COC1=CC=C2C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC(=O)OC2=C1	REAL300020210324	1	48	-1.0	-57.22	381.93	6.74	-50.48
CC1=NN(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020210325	0	41	-1.0	-47.85	337.63	4.73	-43.12
CC1=NN(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020210325	1	41	-1.0	-47.87	337.68	4.74	-43.13
CSC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C2C=CC=CN12	REAL300020210326	0	43	-1.0	-55.59	346.50	7.80	-47.79
CSC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C2C=CC=CN12	REAL300020210326	1	43	-1.0	-55.64	346.45	7.78	-47.86
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O=C(CCNC(=O)OCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210327	1	43	-1.0	-52.01	356.21	2.57	-49.44
O=C(CCCOC1=CC=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210328	0	46	-1.0	-57.75	360.87	6.97	-50.78
O=C(CCCOC1=CC=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210328	1	46	-1.0	-57.71	360.92	6.98	-50.73
O=C(C1=CC=C(NC2CC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210329	0	44	-1.0	-48.99	341.01	4.85	-44.14
O=C(C1=CC=C(NC2CC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210329	1	44	-1.0	-48.94	340.98	4.84	-44.10
CN1N=NN=C1SCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210330	0	41	-1.0	-56.80	342.92	3.51	-53.29
CN1N=NN=C1SCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210330	1	41	-1.0	-56.82	342.86	3.49	-53.33
CCCCSC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210331	0	45	-1.0	-49.62	347.04	6.81	-42.81
CCCCSC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210331	1	45	-1.0	-49.60	347.09	6.82	-42.78
O=C(CCOCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210332	0	46	-1.0	-47.71	358.52	6.54	-41.17
O=C(CCOCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210332	1	46	-1.0	-47.73	358.57	6.55	-41.18
CC(=O)NCC(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210333	0	43	-1.0	-48.05	340.73	-0.42	-48.47
CC(=O)NCC(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210333	1	43	-1.0	-48.03	340.78	-0.41	-48.44
CC(SC1=NN=NN1C1CC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210334	0	45	-1.0	-45.57	366.29	4.85	-40.72
CC(SC1=NN=NN1C1CC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210334	1	45	-1.0	-45.57	366.23	4.83	-40.74
C=CC(=O)NCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210335	0	47	-1.0	-50.90	372.49	4.87	-46.03
C=CC(=O)NCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210335	1	47	-1.0	-50.92	372.49	4.88	-46.04
COC1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=C1OC	REAL300020210336	0	54	-1.0	-50.16	422.26	6.10	-44.06
COC1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=C1OC	REAL300020210336	1	54	-1.0	-50.11	422.32	6.11	-44.00
O=C(CN1C=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210337	0	43	-1.0	-52.17	341.09	7.49	-44.68
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NC(=O)C1CCCN(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C1	REAL300020210340	1	55	-1.0	-55.87	406.02	3.21	-52.66
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CCN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020210342	0	46	-1.0	-49.09	348.26	7.77	-41.32
CCN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020210342	1	46	-1.0	-49.12	348.32	7.78	-41.34
CC(NC(=O)C1CCCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210343	0	52	-1.0	-43.63	381.63	5.09	-38.54
CC(NC(=O)C1CCCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210343	1	52	-1.0	-43.67	381.69	5.10	-38.57
CC1=CC=C(C2=NOC(CCC(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)C=C1F	REAL300020210344	0	50	-1.0	-47.12	401.87	6.61	-40.51
CC1=CC=C(C2=NOC(CCC(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)C=C1F	REAL300020210344	1	50	-1.0	-47.12	401.82	6.61	-40.51
CC1=CC(C2=NOC(CCC(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)=CC=C1F	REAL300020210345	0	50	-1.0	-46.46	401.87	6.61	-39.85
CC1=CC(C2=NOC(CCC(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)=CC=C1F	REAL300020210345	1	50	-1.0	-46.40	401.82	6.59	-39.81
CC1=CC=C2OC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C1	REAL300020210346	0	42	-1.0	-49.64	328.38	6.78	-42.86
CC1=CC=C2OC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C1	REAL300020210346	1	42	-1.0	-49.64	328.44	6.79	-42.85
CCCCCCOC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210347	0	58	-1.0	-48.91	440.18	9.82	-39.09
CCCCCCOC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210347	1	58	-1.0	-48.88	440.23	9.83	-39.05
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210348	0	43	-1.0	-53.32	353.99	7.67	-45.65
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210348	1	43	-1.0	-53.29	353.93	7.65	-45.64
CC1=CN(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020210349	0	42	-1.0	-45.63	332.26	4.75	-40.88
CC1=CN(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020210349	1	42	-1.0	-45.64	332.20	4.73	-40.91
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020210350	0	43	-1.0	-49.78	326.44	6.86	-42.92
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020210350	1	43	-1.0	-49.75	326.49	6.88	-42.87
O=C(CCC1=CC=C(C2=CC=CC=C2)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210351	0	50	-1.0	-47.22	392.00	8.19	-39.03
O=C(CCC1=CC=C(C2=CC=CC=C2)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210351	1	50	-1.0	-47.19	392.06	8.19	-39.00
CCOCCOC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210352	0	46	-1.0	-57.07	348.46	4.18	-52.89
CCOCCOC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210352	1	46	-1.0	-57.06	348.50	4.19	-52.87
O=C(C1=CC2=C(OC(F)(F)F)C=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210353	0	44	-1.0	-49.82	356.39	5.54	-44.28
O=C(C1=CC2=C(OC(F)(F)F)C=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210353	1	44	-1.0	-49.84	356.42	5.55	-44.29
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020210354	0	45	-1.0	-45.80	343.71	7.87	-37.93
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020210354	1	45	-1.0	-45.86	343.74	7.88	-37.98
CC1=CNC(=O)N1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210355	0	47	-1.0	-58.99	370.47	6.23	-52.76
CC1=CNC(=O)N1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210355	1	47	-1.0	-59.04	370.50	6.25	-52.79
O=C(CNC(=O)NCC1=CC=CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210356	0	45	-1.0	-47.72	358.93	1.76	-45.96
O=C(CNC(=O)NCC1=CC=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210356	1	45	-1.0	-47.73	358.98	1.77	-45.96
O=C(CCC1=NC=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210357	0	38	-1.0	-46.90	313.90	3.97	-42.93
O=C(CCC1=NC=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210357	1	38	-1.0	-46.91	313.97	3.97	-42.94
CC1=CC=C(C)C(OCCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210358	0	55	-1.0	-48.90	422.32	8.69	-40.21
CC1=CC=C(C)C(OCCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210358	1	55	-1.0	-48.88	422.38	8.70	-40.18
CC(C)(C)C1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020210359	0	44	-1.0	-48.24	345.07	5.12	-43.12
CC(C)(C)C1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020210359	1	44	-1.0	-48.22	344.80	5.11	-43.11
CC(C)CCSCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210360	0	45	-1.0	-49.16	348.17	6.91	-42.25
CC(C)CCSCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210360	1	45	-1.0	-49.14	348.23	6.91	-42.23
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210361	0	43	-1.0	-54.03	343.67	7.22	-46.81
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210361	1	43	-1.0	-54.03	343.61	7.20	-46.83
O=C(CN1CCC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210362	0	45	-1.0	-51.42	331.65	6.09	-45.33
O=C(CN1CCC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210362	1	45	-1.0	-51.44	331.70	6.10	-45.34
O=C(CNC1=CC=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020210363	0	41	-1.0	-49.19	334.99	4.88	-44.31
O=C(CNC1=CC=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020210363	1	41	-1.0	-49.17	335.05	4.89	-44.28
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1C1=CC=CC=C1	REAL300020210364	0	48	-1.0	-59.34	379.76	6.42	-52.92
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1C1=CC=CC=C1	REAL300020210364	1	48	-1.0	-59.30	379.82	6.42	-52.88
COC1=CC=C(Cl)C=C1NCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210365	0	48	-1.0	-51.52	383.40	5.35	-46.17
COC1=CC=C(Cl)C=C1NCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210365	1	48	-1.0	-51.50	383.46	5.35	-46.15
O=C(C1=C(Cl)N=C(N2CCCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210366	0	44	-1.0	-44.93	349.73	4.59	-40.34
O=C(C1=C(Cl)N=C(N2CCCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210366	1	44	-1.0	-44.90	349.72	4.59	-40.31
COC1=CC=C(N2C=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)C=C1	REAL300020210367	0	47	-1.0	-53.13	366.73	6.44	-46.69
COC1=CC=C(N2C=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)C=C1	REAL300020210367	1	47	-1.0	-53.15	366.68	6.44	-46.71
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020210368	0	48	-1.0	-46.29	381.54	8.32	-37.97
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020210368	1	48	-1.0	-46.30	381.60	8.34	-37.96
CC1=CC=CC(OCCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210369	0	52	-1.0	-50.20	397.54	8.35	-41.85
CC1=CC=CC(OCCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210369	1	52	-1.0	-50.16	397.59	8.36	-41.80
CC(OC1=CC=CC(C#N)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210370	0	44	-1.0	-56.46	346.85	6.78	-49.68
CC(OC1=CC=CC(C#N)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210370	1	44	-1.0	-56.50	346.91	6.79	-49.71
NC(=O)C1=CC=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210371	0	44	-1.0	-58.55	351.33	2.64	-55.91
NC(=O)C1=CC=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210371	1	44	-1.0	-58.51	351.40	2.65	-55.86
O=C(C1=NC=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210372	0	41	-1.0	-56.16	322.48	6.01	-50.15
O=C(C1=NC=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210372	1	41	-1.0	-56.22	322.42	5.97	-50.25
O=C(C1=CC(F)=CC=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020210373	0	38	-1.0	-42.89	307.04	6.62	-36.27
O=C(C1=CC(F)=CC=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020210373	1	38	-1.0	-42.89	307.10	6.63	-36.26
O=C(C1=CC2=CC=CN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210374	0	41	-1.0	-50.39	321.17	5.76	-44.63
O=C(C1=CC2=CC=CN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210374	1	41	-1.0	-50.42	321.11	5.76	-44.66
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300020210375	0	50	-1.0	-53.63	397.40	9.89	-43.74
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300020210375	1	50	-1.0	-53.64	397.48	9.91	-43.73
CS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020210376	0	44	-1.0	-58.73	371.11	3.74	-54.99
CS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020210376	1	44	-1.0	-58.76	371.15	3.76	-55.00
CC(C)(C)C(=O)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020210377	0	55	-1.0	-62.94	386.25	6.13	-56.81
CC(C)(C)C(=O)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020210377	1	55	-1.0	-62.95	386.30	6.14	-56.81
CCOC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020210378	0	42	-1.0	-47.83	337.49	4.78	-43.05
CCOC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020210378	1	42	-1.0	-47.80	337.43	4.77	-43.03
O=C(C1=CSC(C2=CC=C(Cl)S2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210379	0	39	-1.0	-49.18	351.50	6.66	-42.52
O=C(C1=CSC(C2=CC=C(Cl)S2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210379	1	39	-1.0	-49.21	351.45	6.64	-42.57
CN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020210380	0	44	-1.0	-49.38	334.09	6.66	-42.72
CN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020210380	1	44	-1.0	-49.39	334.14	6.68	-42.71
COCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020210381	0	50	-1.0	-53.82	389.39	7.02	-46.80
COCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020210381	1	50	-1.0	-53.85	389.40	7.05	-46.80
O=C(C1=C(C2CC2)OC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210382	0	49	-1.0	-48.95	385.29	7.56	-41.39
O=C(C1=C(C2CC2)OC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210382	1	49	-1.0	-48.91	385.24	7.55	-41.36
C=CCOC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020210383	0	43	-1.0	-47.88	350.39	5.35	-42.53
C=CCOC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020210383	1	43	-1.0	-47.84	350.33	5.35	-42.49
CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020210384	0	39	-1.0	-47.59	315.23	6.36	-41.23
CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020210384	1	39	-1.0	-47.59	315.28	6.36	-41.23
O=C(C1=CC=C(OCC2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210385	0	47	-1.0	-48.49	361.13	7.10	-41.39
O=C(C1=CC=C(OCC2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210385	1	47	-1.0	-48.55	361.13	7.11	-41.44
CCCS(=O)(=O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210386	0	41	-1.0	-65.21	327.58	2.13	-63.08
CCCS(=O)(=O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210386	1	41	-1.0	-65.26	327.63	2.14	-63.12
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC2=C(C)C=CC(C)=C12	REAL300020210387	0	48	-1.0	-49.19	360.85	7.97	-41.22
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC2=C(C)C=CC(C)=C12	REAL300020210387	1	48	-1.0	-49.16	360.90	7.98	-41.18
O=C(C1=CN=C(C2=CC=CC=C2F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210388	0	42	-1.0	-53.51	347.58	6.43	-47.08
O=C(C1=CN=C(C2=CC=CC=C2F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210388	1	42	-1.0	-53.47	347.52	6.43	-47.04
CC(C)C1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL300020210389	0	51	-1.0	-49.19	395.42	7.32	-41.87
CC(C)C1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL300020210389	1	51	-1.0	-49.23	395.37	7.31	-41.92
CCCCCCCCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210390	0	59	-1.0	-47.70	436.57	10.47	-37.23
CCCCCCCCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210390	1	59	-1.0	-47.72	436.62	10.48	-37.24
NC(=O)C1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210391	0	37	-1.0	-55.98	306.39	1.07	-54.91
NC(=O)C1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210391	1	37	-1.0	-56.01	306.44	1.09	-54.92
O=C(C1CCN(C2=CC=C(F)C=C2)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210392	0	47	-1.0	-45.53	358.19	6.61	-38.92
O=C(C1CCN(C2=CC=C(F)C=C2)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210392	1	47	-1.0	-45.52	358.26	6.62	-38.90
CC1=CC(C)=CC(N2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=O)=C1	REAL300020210393	0	53	-1.0	-46.70	394.59	7.85	-38.85
CC1=CC(C)=CC(N2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=O)=C1	REAL300020210393	1	53	-1.0	-46.71	394.65	7.88	-38.83
CCN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020210394	0	47	-1.0	-49.31	355.90	7.59	-41.72
CCN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020210394	1	47	-1.0	-49.33	355.95	7.61	-41.72
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1CCC#N	REAL300020210395	0	43	-1.0	-50.30	341.60	4.97	-45.33
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1CCC#N	REAL300020210395	1	43	-1.0	-50.29	341.63	4.97	-45.32
O=C(CCCC[NH+]1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210396	0	51	0.0	-61.03	370.00	7.49	-53.54
O=C(CCCC[NH+]1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210396	1	51	0.0	-61.10	370.05	7.50	-53.60
CCS(=O)(=O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210397	0	38	-1.0	-65.40	306.08	1.33	-64.07
CCS(=O)(=O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210397	1	38	-1.0	-65.40	306.13	1.34	-64.06
O=C(CCN1CCOC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210398	0	41	-1.0	-55.00	324.23	3.25	-51.75
O=C(CCN1CCOC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210398	1	41	-1.0	-54.94	324.29	3.25	-51.69
O=C(C1=CC=CC2=C1CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020210399	0	43	-1.0	-50.38	322.46	7.23	-43.15
O=C(C1=CC=CC2=C1CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020210399	1	43	-1.0	-50.39	322.45	7.23	-43.16
CCOC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020210400	0	46	-1.0	-51.26	350.53	6.94	-44.32
CCOC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020210400	1	46	-1.0	-51.29	350.54	6.95	-44.34
O=C(CNC1=CC=CC=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020210401	0	43	-1.0	-59.19	345.99	5.20	-53.99
O=C(CNC1=CC=CC=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020210401	1	43	-1.0	-59.16	346.04	5.21	-53.95
O=C(C1=CC=C2NC(=O)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210402	0	39	-1.0	-49.59	311.88	2.89	-46.70
O=C(C1=CC=C2NC(=O)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210402	1	39	-1.0	-49.67	311.92	2.91	-46.76
CCC1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020210403	0	41	-1.0	-52.62	334.85	4.70	-47.92
CCC1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020210403	1	41	-1.0	-52.57	334.91	4.72	-47.85
O=C(C1=CC(Br)=C2OCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210404	0	39	-1.0	-47.21	327.22	4.67	-42.54
O=C(C1=CC(Br)=C2OCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210404	1	39	-1.0	-47.20	327.25	4.66	-42.54
CC(=O)NC1=CC=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210405	0	43	-1.0	-51.91	341.61	4.34	-47.57
CC(=O)NC1=CC=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210405	1	43	-1.0	-51.93	341.64	4.35	-47.58
CC(=O)NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020210406	0	43	-1.0	-54.05	341.00	4.38	-49.67
CC(=O)NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020210406	1	43	-1.0	-54.00	341.04	4.39	-49.61
CC1=NOC(Cl)=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210407	0	41	-1.0	-46.72	337.43	5.88	-40.84
CC1=NOC(Cl)=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210407	1	41	-1.0	-46.76	337.48	5.90	-40.86
O=C(C1=CC=C(OCC2CCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210408	0	56	-1.0	-48.46	412.66	8.95	-39.51
O=C(C1=CC=C(OCC2CCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210408	1	56	-1.0	-48.46	412.68	8.97	-39.49
COCCOC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210409	0	47	-1.0	-54.01	364.95	4.87	-49.14
COCCOC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210409	1	47	-1.0	-54.02	364.99	4.86	-49.16
CCSC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020210410	0	42	-1.0	-47.75	339.85	5.65	-42.10
CCSC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020210410	1	42	-1.0	-47.73	339.81	5.65	-42.08
O=C(CCNC(=O)C1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210411	0	46	-1.0	-57.50	370.84	4.62	-52.88
O=C(CCNC(=O)C1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210411	1	46	-1.0	-57.51	370.90	4.63	-52.88
CCOC1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210412	0	49	-1.0	-49.32	376.03	7.53	-41.79
CCOC1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210412	1	49	-1.0	-49.30	376.08	7.54	-41.76
CNC(=O)COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020210413	0	51	-1.0	-58.57	399.29	4.00	-54.57
CNC(=O)COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020210413	1	51	-1.0	-58.65	399.32	4.01	-54.64
CC1=CC=C(OCC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)O2)C(C)=C1	REAL300020210414	0	53	-1.0	-49.11	413.31	8.58	-40.53
CC1=CC=C(OCC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)O2)C(C)=C1	REAL300020210414	1	53	-1.0	-49.09	413.36	8.59	-40.50
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC2=C(C)C=CC=C12	REAL300020210415	0	45	-1.0	-49.48	346.14	7.48	-42.00
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC2=C(C)C=CC=C12	REAL300020210415	1	45	-1.0	-49.53	346.20	7.48	-42.05
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=C1N(C)C(=O)N(C)C2=O	REAL300020210416	0	49	-1.0	-43.92	376.69	5.98	-37.94
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=C1N(C)C(=O)N(C)C2=O	REAL300020210416	1	49	-1.0	-43.94	376.74	5.99	-37.95
O=C(CN1C=CC2=CC=C(Cl)C=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210417	0	43	-1.0	-51.67	357.80	8.00	-43.67
O=C(CN1C=CC2=CC=C(Cl)C=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210417	1	43	-1.0	-51.64	357.87	8.02	-43.62
O=C(CCC1=CC(F)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210418	0	42	-1.0	-49.34	336.09	7.35	-41.99
O=C(CCC1=CC(F)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210418	1	42	-1.0	-49.29	336.14	7.37	-41.92
CC1=C(C)N(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)S1	REAL300020210419	0	42	-1.0	-55.10	339.96	4.76	-50.34
CC1=C(C)N(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)S1	REAL300020210419	1	42	-1.0	-55.11	340.02	4.79	-50.32
O=C(CCCNC(=O)C1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210420	0	49	-1.0	-48.63	387.47	5.76	-42.87
O=C(CCCNC(=O)C1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210420	1	49	-1.0	-48.60	387.52	5.76	-42.84
O=C(C1=NN2C=C(Br)C=NC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210421	0	37	-1.0	-54.09	318.05	7.00	-47.09
O=C(C1=NN2C=C(Br)C=NC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210421	1	37	-1.0	-54.17	317.99	6.99	-47.18
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=C1	REAL300020210422	0	39	-1.0	-48.31	311.15	5.77	-42.54
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=C1	REAL300020210422	1	39	-1.0	-48.29	311.18	5.77	-42.52
CSC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020210423	0	39	-1.0	-47.74	318.38	4.79	-42.95
CSC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020210423	1	39	-1.0	-47.71	318.34	4.78	-42.93
CC(C)NC(=O)CN(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210424	0	50	-1.0	-58.40	372.32	2.16	-56.24
CC(C)NC(=O)CN(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210424	1	50	-1.0	-58.41	372.35	2.16	-56.25
CC(C)OC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020210425	0	45	-1.0	-49.89	362.24	5.39	-44.50
CC(C)OC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020210425	1	45	-1.0	-49.89	362.17	5.39	-44.50
CC(OC1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210426	0	45	-1.0	-62.32	373.07	7.81	-54.51
CC(OC1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210426	1	45	-1.0	-62.30	373.13	7.83	-54.47
CC1CCCCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210427	0	48	-1.0	-46.77	344.64	6.82	-39.95
CC1CCCCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210427	1	48	-1.0	-46.83	344.69	6.82	-40.01
COC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020210428	0	45	-1.0	-51.84	349.39	5.64	-46.20
COC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020210428	1	45	-1.0	-51.85	349.34	5.63	-46.22
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CC1=NN(C(F)F)C(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210481	0	45	-1.0	-55.14	358.85	4.92	-50.22
CC1=NN(C(F)F)C(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210481	1	45	-1.0	-55.13	358.91	4.95	-50.18
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O=C(CCN1C=C([N+](=O)[O-])C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210482	1	41	-1.0	-47.19	340.50	4.77	-42.42
CC1=NC([N+](=O)[O-])=CN1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210483	0	44	-1.0	-46.53	354.91	7.47	-39.06
CC1=NC([N+](=O)[O-])=CN1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210483	1	44	-1.0	-46.56	354.96	7.47	-39.09
CCN(CC)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210484	0	49	-1.0	-50.81	374.28	7.26	-43.55
CCN(CC)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210484	1	49	-1.0	-50.86	374.24	7.24	-43.62
COC1=CC=C(C)C=C1N1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020210485	0	50	-1.0	-56.30	384.54	7.47	-48.83
COC1=CC=C(C)C=C1N1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020210485	1	50	-1.0	-56.32	384.48	7.45	-48.87
CN1C(=O)NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020210486	0	43	-1.0	-50.40	340.24	4.40	-46.00
CN1C(=O)NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020210486	1	43	-1.0	-50.42	340.28	4.41	-46.01
CN(C)C(=O)CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020210487	0	45	-1.0	-55.80	354.28	2.78	-53.02
CN(C)C(=O)CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020210487	1	45	-1.0	-55.80	354.24	2.76	-53.04
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020210488	0	60	0.0	-76.40	423.74	7.59	-68.81
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020210488	1	60	0.0	-76.35	423.78	7.59	-68.76
CC1=CC=CC=C1N1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=C1CCC2	REAL300020210489	0	53	-1.0	-52.28	405.60	9.38	-42.90
CC1=CC=CC=C1N1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=C1CCC2	REAL300020210489	1	53	-1.0	-52.30	405.64	9.39	-42.91
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CC(C)CCOC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210491	0	48	-1.0	-53.23	353.55	6.05	-47.18
CC(C)CCOC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210491	1	48	-1.0	-53.25	353.59	6.06	-47.19
CC(C)OC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210492	0	49	-1.0	-49.19	373.75	7.41	-41.78
CC(C)OC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210492	1	49	-1.0	-49.16	373.80	7.41	-41.75
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O=C(COCCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210493	1	46	-1.0	-51.84	359.11	7.34	-44.50
COC1=CC=CC=C1C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020210494	0	46	-1.0	-53.09	369.34	6.53	-46.56
COC1=CC=CC=C1C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020210494	1	46	-1.0	-53.03	369.29	6.52	-46.51
O=C(C1CC(=O)N(CCN2CCOCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210495	0	56	-1.0	-50.06	417.36	2.27	-47.79
O=C(C1CC(=O)N(CCN2CCOCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210495	1	56	-1.0	-50.03	417.42	2.28	-47.75
NS(=O)(=O)CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210496	0	44	-1.0	-62.19	356.41	0.98	-61.21
NS(=O)(=O)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210496	1	44	-1.0	-62.19	356.41	0.99	-61.20
CC(OCC1CCCO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210497	0	47	-1.0	-55.35	355.37	4.19	-51.16
CC(OCC1CCCO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210497	1	47	-1.0	-55.35	355.43	4.21	-51.14
O=C(C1=CC=C(C2=CC=CS2)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210498	0	43	-1.0	-60.23	348.82	5.00	-55.23
O=C(C1=CC=C(C2=CC=CS2)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210498	1	43	-1.0	-60.27	348.75	4.98	-55.29
CC(C)CC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020210499	0	44	-1.0	-49.73	344.35	5.92	-43.81
CC(C)CC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020210499	1	44	-1.0	-49.78	344.41	5.92	-43.86
CC1=CC=C(CCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210500	0	51	-1.0	-49.53	389.08	9.53	-40.00
CC1=CC=C(CCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210500	1	51	-1.0	-49.56	389.12	9.56	-40.00
CC1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020210501	0	38	-1.0	-55.57	311.85	3.58	-51.99
CC1=C([N+](=O)[O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1	REAL300020210501	1	38	-1.0	-59.11	310.53	3.81	-55.30
CC1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020210501	1	38	-1.0	-55.65	311.93	3.59	-52.06
CC1=C([N+](=O)[O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1	REAL300020210501	1	38	-1.0	-59.07	310.58	3.81	-55.26
O=C(C1=CN(C2=CC=CC=C2Cl)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210502	0	43	-1.0	-51.03	348.18	7.22	-43.81
O=C(C1=CN(C2=CC=CC=C2Cl)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210502	1	43	-1.0	-51.04	348.15	7.23	-43.81
O=C(COC1=CC=C([N+](=O)[O-])C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210503	0	42	-1.0	-51.48	344.91	6.80	-44.68
O=C(COC1=CC=C([N+](=O)[O-])C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210503	1	42	-1.0	-51.46	344.96	6.82	-44.64
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020210504	0	42	-1.0	-58.75	343.22	7.56	-51.19
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020210504	1	42	-1.0	-58.70	343.27	7.57	-51.13
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020210505	0	59	-1.0	-48.03	422.11	7.48	-40.55
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020210505	1	59	-1.0	-48.00	422.14	7.48	-40.52
COC1=CC=C2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)COC2=C1	REAL300020210506	0	48	-1.0	-47.75	360.76	5.39	-42.36
COC1=CC=C2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)COC2=C1	REAL300020210506	1	48	-1.0	-47.78	360.81	5.40	-42.38
O=C(C1=CN(C2=CC=CC=C2Cl)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210507	0	42	-1.0	-49.90	345.19	6.22	-43.68
O=C(C1=CN(C2=CC=CC=C2Cl)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210507	1	42	-1.0	-49.89	345.13	6.22	-43.67
O=C(C1=CSC(C2CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210508	0	39	-1.0	-50.41	314.48	5.45	-44.96
O=C(C1=CSC(C2CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210508	1	39	-1.0	-50.38	314.54	5.46	-44.92
O=C(CCCOC1=CC=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210509	0	46	-1.0	-54.23	371.97	6.62	-47.61
O=C(CCCOC1=CC=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210509	1	46	-1.0	-54.24	372.03	6.64	-47.60
O=C(CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210510	0	49	-1.0	-50.90	396.30	5.29	-45.61
O=C(CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210510	1	49	-1.0	-50.90	396.25	5.27	-45.63
NS(=O)(=O)C1=CN(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020210511	0	44	-1.0	-51.57	366.82	-1.06	-52.63
NS(=O)(=O)C1=CN(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020210511	1	44	-1.0	-51.56	366.76	-1.08	-52.64
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C1=CC=C(F)C=C1	REAL300020210512	0	47	-1.0	-48.26	359.09	7.87	-40.39
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C1=CC=C(F)C=C1	REAL300020210512	1	47	-1.0	-48.22	359.03	7.89	-40.33
CC(C)CN1N=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C21	REAL300020210513	0	50	-1.0	-48.67	384.28	6.39	-42.28
CC(C)CN1N=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C21	REAL300020210513	1	50	-1.0	-48.66	384.24	6.38	-42.28
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C(C)(C)C)=N1	REAL300020210514	0	47	-1.0	-50.20	364.91	5.80	-44.40
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C(C)(C)C)=N1	REAL300020210514	1	47	-1.0	-50.16	364.97	5.81	-44.35
CC1=NN=C2C=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN12	REAL300020210515	0	41	-1.0	-48.35	323.35	6.54	-41.81
CC1=NN=C2C=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN12	REAL300020210515	1	41	-1.0	-48.37	323.40	6.54	-41.83
O=C(CSCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020210516	0	45	-1.0	-58.04	384.29	8.23	-49.81
O=C(CSCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020210516	1	45	-1.0	-58.07	384.34	8.23	-49.84
CC1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020210517	0	46	-1.0	-52.44	362.79	8.14	-44.30
CC1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020210517	1	46	-1.0	-52.40	362.86	8.14	-44.26
CCCCN(CC)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210518	0	56	-1.0	-50.65	416.04	9.14	-41.51
CCCCN(CC)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210518	1	56	-1.0	-50.58	416.04	9.16	-41.42
O=C(C1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020210519	0	42	-1.0	-71.85	337.56	6.18	-65.67
O=C(C1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020210519	1	42	-1.0	-71.85	337.65	6.20	-65.65
NS(=O)(=O)C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020210520	0	41	-1.0	-61.35	339.90	-1.26	-62.61
NS(=O)(=O)C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020210520	1	41	-1.0	-61.31	339.84	-1.27	-62.58
CCOC(CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1)OCC	REAL300020210521	0	52	-1.0	-48.65	399.79	4.02	-44.63
CCOC(CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1)OCC	REAL300020210521	1	52	-1.0	-48.61	399.74	4.02	-44.59
O=C(CSCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020210522	0	45	-1.0	-59.91	367.58	7.71	-52.20
O=C(CSCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020210522	1	45	-1.0	-59.88	367.63	7.71	-52.17
CCN1C=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020210523	0	49	-1.0	-51.35	383.10	8.86	-42.49
CCN1C=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020210523	1	49	-1.0	-51.30	383.17	8.88	-42.42
O=C(C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210524	0	44	-1.0	-50.49	370.96	7.69	-42.80
O=C(C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210524	1	44	-1.0	-50.48	370.90	7.68	-42.80
O=C(C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210525	0	44	-1.0	-50.87	371.23	7.68	-43.19
O=C(C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210525	1	44	-1.0	-50.90	371.18	7.67	-43.23
O=C(CCC1=NC(C2=NNC=N2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210526	0	43	-1.0	-54.96	355.43	2.59	-52.37
O=C(CCC1=NC(C2=NNC=N2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210526	1	43	-1.0	-54.99	355.50	2.58	-52.41
CC(OCC1CCCCO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210527	0	50	-1.0	-57.72	368.50	5.33	-52.39
CC(OCC1CCCCO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210527	1	50	-1.0	-57.77	368.55	5.35	-52.42
O=C(CCCOC1=CC=CC(Cl)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020210528	0	46	-1.0	-56.40	385.84	7.92	-48.48
O=C(CCCOC1=CC=CC(Cl)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020210528	1	46	-1.0	-56.37	385.90	7.93	-48.44
CC(=O)CCC1=CC=C(OC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210529	0	54	-1.0	-56.98	413.68	8.51	-48.47
CC(=O)CCC1=CC=C(OC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210529	1	54	-1.0	-57.02	413.73	8.52	-48.50
CC1=CC=C(C2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)C(C)=C1	REAL300020210530	0	48	-1.0	-52.76	385.98	7.83	-44.93
CC1=CC=C(C2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)C(C)=C1	REAL300020210530	1	48	-1.0	-52.80	386.03	7.84	-44.96
CC1=C2OC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=CC=C1	REAL300020210531	0	42	-1.0	-50.00	328.42	6.77	-43.23
CC1=C2OC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=CC=C1	REAL300020210531	1	42	-1.0	-50.05	328.48	6.77	-43.28
CC(=O)C1=CC=CC(OC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210532	0	48	-1.0	-64.52	366.50	6.78	-57.74
CC(=O)C1=CC=CC(OC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210532	1	48	-1.0	-64.50	366.55	6.79	-57.71
N#CC1=CC=C(N2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2=O)C=C1	REAL300020210533	0	48	-1.0	-49.91	380.00	6.54	-43.37
N#CC1=CC=C(N2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2=O)C=C1	REAL300020210533	1	48	-1.0	-49.94	380.07	6.56	-43.38
CC(=CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020210534	0	46	-1.0	-45.01	370.64	8.71	-36.30
CC(=CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020210534	1	46	-1.0	-45.04	370.69	8.72	-36.32
O=C(CC1=CC(Cl)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020210535	0	39	-1.0	-46.76	334.24	7.44	-39.32
O=C(CC1=CC(Cl)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020210535	1	39	-1.0	-46.75	334.29	7.45	-39.30
NC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020210536	0	37	-1.0	-49.05	306.41	1.05	-48.00
NC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020210536	1	37	-1.0	-49.05	306.45	1.05	-48.00
NS(=O)(=O)CC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210537	0	44	-1.0	-63.46	360.52	1.20	-62.26
NS(=O)(=O)CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210537	1	44	-1.0	-63.39	360.56	1.21	-62.18
CN(C)C1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210538	0	43	-1.0	-52.36	324.42	4.84	-47.52
CN(C)C1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210538	1	43	-1.0	-52.40	324.48	4.84	-47.56
CC1=NN(C)C(C)=C1C(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210539	0	48	-1.0	-54.91	350.13	5.51	-49.40
CC1=NN(C)C(C)=C1C(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210539	1	48	-1.0	-54.88	350.17	5.51	-49.37
O=C(C1=CC=C2COCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210540	0	41	-1.0	-48.60	318.24	4.85	-43.75
O=C(C1=CC=C2COCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210540	1	41	-1.0	-48.59	318.28	4.86	-43.73
COC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210541	0	48	-1.0	-46.05	378.89	6.04	-40.01
COC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210541	1	48	-1.0	-46.09	378.95	6.06	-40.03
COC1=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020210542	0	46	-1.0	-53.27	367.50	6.80	-46.47
COC1=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020210542	1	46	-1.0	-53.30	367.56	6.81	-46.49
O=C(C1=CN2C=NN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210543	0	38	-1.0	-49.55	303.47	6.87	-42.68
O=C(C1=CN2C=NN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210543	1	38	-1.0	-49.54	303.42	6.86	-42.68
CC(C)C1=CC=C(OCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210544	0	52	-1.0	-49.09	393.33	8.06	-41.03
CC(C)C1=CC=C(OCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210544	1	52	-1.0	-49.09	393.39	8.07	-41.02
O=C(C1=CC=CC2=C1OCCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020210545	0	42	-1.0	-53.74	321.03	5.10	-48.64
O=C(C1=CC=CC2=C1OCCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020210545	1	42	-1.0	-53.79	321.03	5.13	-48.66
O=C(C1=CC(Br)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210546	0	33	-1.0	-46.00	292.02	5.00	-41.00
O=C(C1=CC(Br)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210546	1	33	-1.0	-46.04	292.07	4.98	-41.06
COC1=CC=C(C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=NO2)C(F)=C1	REAL300020210547	0	46	-1.0	-51.57	371.33	6.43	-45.14
COC1=CC=C(C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=NO2)C(F)=C1	REAL300020210547	1	46	-1.0	-51.55	371.27	6.40	-45.15
CS(=O)(=O)NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020210548	0	44	-1.0	-50.63	366.63	2.61	-48.02
CS(=O)(=O)NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020210548	1	44	-1.0	-50.70	366.68	2.61	-48.09
O=C(C1=CC=C(N2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210549	0	49	-1.0	-50.51	361.14	4.14	-46.37
O=C(C1=CC=C(N2CCOCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210549	1	49	-1.0	-50.52	361.19	4.15	-46.37
CN1C=CN=C1SCC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210550	0	50	-1.0	-54.27	405.93	8.90	-45.37
CN1C=CN=C1SCC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210550	1	50	-1.0	-54.21	405.89	8.89	-45.32
COC1=CC=C(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210551	0	49	-1.0	-50.93	380.37	6.98	-43.95
COC1=CC=C(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210551	1	49	-1.0	-50.95	380.43	7.00	-43.95
O=C(CCC1=CC=C(Br)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210552	0	42	-1.0	-44.96	351.24	7.91	-37.05
O=C(CCC1=CC=C(Br)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210552	1	42	-1.0	-44.99	351.29	7.91	-37.08
CC(CC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210553	0	45	-1.0	-46.61	344.02	7.51	-39.10
CC(CC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210553	1	45	-1.0	-46.66	344.07	7.53	-39.13
CC(CC1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210554	0	45	-1.0	-46.49	344.02	7.51	-38.98
CC(CC1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210554	1	45	-1.0	-46.49	344.07	7.53	-38.96
C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020210555	0	44	-1.0	-51.89	366.47	3.98	-47.91
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CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210556	0	41	-1.0	-44.38	328.71	7.13	-37.25
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210556	1	41	-1.0	-44.44	328.76	7.13	-37.31
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CCN(C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C(C)C	REAL300020210558	0	53	-1.0	-53.42	382.28	7.78	-45.64
CCN(C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C(C)C	REAL300020210558	1	53	-1.0	-53.38	382.33	7.80	-45.58
O=C(C1=CC=NC(N2C=NC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210559	0	41	-1.0	-50.96	332.46	7.42	-43.54
O=C(C1=CC=NC(N2C=NC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210559	1	41	-1.0	-50.92	332.41	7.40	-43.52
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O=C(CC1C(=O)NC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210560	1	44	-1.0	-55.89	340.61	5.84	-50.05
O=C(C1=NN(C2=CC=CC=C2Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210561	0	43	-1.0	-55.65	344.20	7.57	-48.08
O=C(C1=NN(C2=CC=CC=C2Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210561	1	43	-1.0	-55.64	344.15	7.56	-48.08
O=C(C=CC1=CSC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210562	0	36	-1.0	-50.27	298.12	4.12	-46.15
O=C(C=CC1=CSC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210562	1	36	-1.0	-50.26	298.17	4.12	-46.14
CCC1=NC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020210563	0	41	-1.0	-49.41	325.06	4.82	-44.59
CCC1=NC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020210563	1	41	-1.0	-49.52	325.37	4.83	-44.69
O=C(C1=CN=C(C2=CC=CC=C2Cl)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210564	0	42	-1.0	-51.58	355.43	7.09	-44.49
O=C(C1=CN=C(C2=CC=CC=C2Cl)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210564	1	42	-1.0	-51.56	355.37	7.09	-44.47
COC1=CC=C(Cl)C=C1NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210565	0	45	-1.0	-47.57	365.94	4.25	-43.32
COC1=CC=C(Cl)C=C1NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210565	1	45	-1.0	-47.54	366.00	4.27	-43.27
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300020210566	0	50	-1.0	-50.68	390.36	8.62	-42.06
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300020210566	1	50	-1.0	-50.70	390.40	8.63	-42.07
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020210567	0	51	0.0	-71.29	371.12	7.07	-64.22
CCN(CC)CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020210567	1	50	-1.0	-48.29	370.20	4.79	-43.50
CCN(CC)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020210567	1	50	-1.0	-48.28	370.25	4.79	-43.49
CN(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020210568	0	44	-1.0	-47.43	343.15	5.09	-42.34
CN(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020210568	1	44	-1.0	-47.43	343.20	5.11	-42.32
O=C(CCCOC1=CC=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020210569	0	46	-1.0	-55.60	370.67	7.45	-48.15
O=C(CCCOC1=CC=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020210569	1	46	-1.0	-55.64	370.72	7.47	-48.17
CC(C)C1=NC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020210570	0	43	-1.0	-45.88	344.00	5.90	-39.98
CC(C)C1=NC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020210570	1	43	-1.0	-45.91	344.05	5.90	-40.01
O=C(C1=CC=C(C2=CC=CO2)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210571	0	43	-1.0	-60.47	341.52	4.09	-56.38
O=C(C1=CC=C(C2=CC=CO2)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210571	1	43	-1.0	-60.49	341.47	4.08	-56.41
CN1C=C(C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210572	0	38	-1.0	-48.24	301.21	3.11	-45.13
CN1C=C(C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210572	1	38	-1.0	-48.25	301.27	3.12	-45.13
O=C(CCCOCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210573	0	49	-1.0	-52.63	380.02	7.31	-45.32
O=C(CCCOCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210573	1	49	-1.0	-52.61	380.07	7.31	-45.30
CCCN(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210574	0	50	-1.0	-50.70	372.73	7.42	-43.28
CCCN(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210574	1	50	-1.0	-50.75	372.73	7.45	-43.30
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210575	0	41	-1.0	-54.19	335.01	6.91	-47.28
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210575	1	41	-1.0	-54.16	335.04	6.91	-47.25
O=C(CCN1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210576	0	45	-1.0	-47.14	335.22	1.66	-45.48
O=C(CCN1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210576	1	45	-1.0	-47.17	335.28	1.69	-45.48
O=C(CC[NH+]1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210576	1	46	0.0	-71.05	338.87	3.87	-67.18
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210577	0	57	0.0	-69.81	414.40	9.32	-60.49
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210577	1	57	0.0	-73.33	412.32	9.30	-64.03
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210577	1	57	0.0	-69.83	414.43	9.35	-60.48
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210577	1	57	0.0	-73.35	412.37	9.30	-64.05
CCCN(CC)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210578	0	52	-1.0	-49.95	393.55	7.81	-42.14
CCCN(CC)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210578	1	52	-1.0	-49.95	393.52	7.81	-42.14
COC1=CC=CC2=C1OCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020210579	0	46	-1.0	-54.35	352.05	5.70	-48.65
COC1=CC=CC2=C1OCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020210579	1	46	-1.0	-54.34	352.10	5.71	-48.63
CC1=NOC(Cl)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210580	0	38	-1.0	-49.39	320.69	4.66	-44.73
CC1=NOC(Cl)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210580	1	38	-1.0	-49.41	320.75	4.69	-44.72
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210581	0	52	-1.0	-49.67	401.67	7.95	-41.72
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210581	1	52	-1.0	-49.67	401.71	7.96	-41.71
O=C(CCC1=CC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210582	0	41	-1.0	-47.35	323.29	5.08	-42.27
O=C(CCC1=CC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210582	1	41	-1.0	-47.32	323.36	5.09	-42.23
NS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020210583	0	38	-1.0	-54.13	325.17	-0.66	-54.79
NS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020210583	1	38	-1.0	-54.12	325.22	-0.65	-54.77
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210584	0	45	-1.0	-54.51	369.19	8.15	-46.36
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210584	1	45	-1.0	-54.52	369.25	8.18	-46.34
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCCC1	REAL300020210585	0	51	-1.0	-45.72	354.34	7.91	-37.81
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCCC1	REAL300020210585	1	51	-1.0	-45.72	354.35	7.91	-37.81
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(S(N)(=O)=O)S1	REAL300020210586	0	41	-1.0	-49.74	344.85	-0.02	-49.76
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(S(N)(=O)=O)S1	REAL300020210586	1	41	-1.0	-49.73	344.97	-0.02	-49.75
NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Cl)=N1	REAL300020210587	0	37	-1.0	-47.58	309.00	2.95	-44.63
NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Cl)=N1	REAL300020210587	1	37	-1.0	-47.56	308.95	2.95	-44.61
O=C(C1=CC2=C(Br)C=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210588	0	40	-1.0	-49.82	331.28	6.36	-43.46
O=C(C1=CC2=C(Br)C=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210588	1	40	-1.0	-49.81	331.33	6.36	-43.45
O=C(CC1=CNC2=CC(F)=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020210589	0	43	-1.0	-51.99	341.44	6.59	-45.40
O=C(CC1=CNC2=CC(F)=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020210589	1	43	-1.0	-52.02	341.50	6.59	-45.43
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020210590	0	42	-1.0	-46.43	335.57	6.12	-40.31
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020210590	1	42	-1.0	-46.39	335.61	6.13	-40.26
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210591	0	55	0.0	-65.68	397.35	9.18	-56.50
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210591	1	55	0.0	-65.65	397.40	9.18	-56.47
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC(C2=CC=CC=C2)=N1	REAL300020210592	0	46	-1.0	-51.65	356.78	7.00	-44.65
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC(C2=CC=CC=C2)=N1	REAL300020210592	1	46	-1.0	-51.64	356.87	6.99	-44.65
NC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210593	0	39	-1.0	-47.02	311.84	0.39	-46.63
NC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210593	1	39	-1.0	-47.06	311.81	0.38	-46.68
CC(OC1=CC=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210594	0	43	-1.0	-53.57	337.88	6.61	-46.96
CC(OC1=CC=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210594	1	43	-1.0	-53.57	337.82	6.64	-46.93
CC[N@H+](CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C(C)C	REAL300020210595	0	57	0.0	-70.63	400.27	8.63	-62.00
CC[N@@H+](CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C(C)C	REAL300020210595	1	57	0.0	-76.25	399.72	8.63	-67.62
CC[N@H+](CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C(C)C	REAL300020210595	1	57	0.0	-70.64	400.31	8.64	-62.00
CC[N@@H+](CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C(C)C	REAL300020210595	1	57	0.0	-76.25	399.78	8.64	-67.61
CCCNC(=O)NC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210596	0	54	-1.0	-51.45	417.05	5.59	-45.86
CCCNC(=O)NC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210596	1	54	-1.0	-51.43	417.10	5.59	-45.84
CC1CCC(NS(=O)(=O)CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020210597	0	53	-1.0	-58.98	400.40	2.71	-56.27
CC1CCC(NS(=O)(=O)CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020210597	1	53	-1.0	-58.94	400.45	2.73	-56.21
CCN1N=C(C)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210598	0	42	-1.0	-47.22	323.35	4.49	-42.73
CCN1N=C(C)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210598	1	42	-1.0	-47.19	323.40	4.49	-42.70
COCCCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210599	0	49	-1.0	-47.32	384.07	2.85	-44.47
COCCCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210599	1	49	-1.0	-47.33	384.04	2.85	-44.48
O=C(COC1=CC=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210600	0	39	-1.0	-51.91	306.94	4.28	-47.63
O=C(COC1=CC=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210600	1	39	-1.0	-51.89	306.89	4.28	-47.61
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210601	0	46	-1.0	-49.98	374.55	8.94	-41.04
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210601	1	46	-1.0	-50.00	374.59	8.95	-41.05
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210602	0	45	-1.0	-49.31	354.67	6.05	-43.26
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210602	1	45	-1.0	-49.29	354.62	6.03	-43.26
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210603	0	45	-1.0	-42.64	364.30	7.26	-35.38
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210603	1	45	-1.0	-42.62	364.26	7.26	-35.36
O=C(C1=CSC(CC2=CC=C(F)C=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210604	0	45	-1.0	-52.24	372.29	7.74	-44.50
O=C(C1=CSC(CC2=CC=C(F)C=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210604	1	45	-1.0	-52.21	372.34	7.76	-44.45
CC1=CC=C2C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CNC2=C1	REAL300020210605	0	46	-1.0	-53.91	356.40	7.17	-46.74
CC1=CC=C2C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CNC2=C1	REAL300020210605	1	46	-1.0	-53.91	356.46	7.18	-46.73
CC1=NC(CN2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2)=CS1	REAL300020210606	0	53	-1.0	-52.14	401.74	4.65	-47.49
CC1=NC(CN2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2)=CS1	REAL300020210606	1	53	-1.0	-52.13	401.80	4.66	-47.47
CC1=NC(C[NH+]2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2)=CS1	REAL300020210606	1	54	0.0	-68.98	405.37	6.98	-62.00
O=C(CCN1C=CNC(=O)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210607	0	42	-1.0	-53.60	333.69	3.49	-50.11
O=C(CCN1C=CNC(=O)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210607	1	42	-1.0	-53.54	333.74	3.51	-50.03
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210607	1	41	-2.0	-96.87	330.29	2.38	-94.49
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210607	1	41	-2.0	-96.89	330.34	2.38	-94.51
CCC(C)C(=O)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020210608	0	55	-1.0	-53.21	395.62	6.54	-46.67
CCC(C)C(=O)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020210608	1	55	-1.0	-53.21	395.67	6.55	-46.66
CS(=O)(=O)NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020210609	0	44	-1.0	-50.77	357.63	2.12	-48.65
CS(=O)(=O)NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020210609	1	44	-1.0	-50.78	357.68	2.11	-48.67
O=C(CCNC(=O)C1CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210610	0	52	-1.0	-59.34	385.53	5.20	-54.14
O=C(CCNC(=O)C1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210610	1	52	-1.0	-59.30	385.59	5.22	-54.08
CS(=O)(=O)CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020210611	0	42	-1.0	-60.13	345.57	2.08	-58.05
CS(=O)(=O)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020210611	1	42	-1.0	-60.10	345.63	2.10	-58.00
O=C(NC1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1)C1CCCC1	REAL300020210612	0	59	-1.0	-60.40	426.30	6.87	-53.53
O=C(NC1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1)C1CCCC1	REAL300020210612	1	59	-1.0	-60.36	426.34	6.90	-53.46
CCC1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020210613	0	41	-1.0	-50.03	333.26	4.27	-45.76
CCC1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020210613	1	41	-1.0	-50.03	333.31	4.28	-45.75
CCC1=C([N+](=O)[O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1	REAL300020210613	1	41	-1.0	-58.84	332.03	4.55	-54.29
CCC1=C([N+](=O)[O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1	REAL300020210613	1	41	-1.0	-58.89	332.09	4.56	-54.33
O=C(C1=CC=C(N2C=NN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210614	0	42	-1.0	-52.20	328.95	8.25	-43.95
O=C(C1=CC=C(N2C=NN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210614	1	42	-1.0	-52.14	328.96	8.24	-43.90
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210615	0	41	-1.0	-36.90	329.65	7.22	-29.68
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210615	1	41	-1.0	-36.95	329.69	7.23	-29.72
NS(=O)(=O)C1=CC=C(OCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210616	0	48	-1.0	-53.44	387.35	1.08	-52.36
NS(=O)(=O)C1=CC=C(OCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210616	1	48	-1.0	-53.42	387.41	1.10	-52.32
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=C(Cl)C=CC=C1Cl	REAL300020210617	0	42	-1.0	-45.77	337.15	7.36	-38.41
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=C(Cl)C=CC=C1Cl	REAL300020210617	1	42	-1.0	-45.72	337.18	7.36	-38.36
CC1=NC(S(=O)(=O)NCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1C	REAL300020210618	0	47	-1.0	-62.56	380.90	1.02	-61.54
CC1=NC(S(=O)(=O)NCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1C	REAL300020210618	1	47	-1.0	-62.55	380.95	1.04	-61.51
CC1=NC(S(=O)(=O)NCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1C	REAL300020210619	0	50	-1.0	-62.10	407.65	1.34	-60.76
CC1=NC(S(=O)(=O)NCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1C	REAL300020210619	1	50	-1.0	-62.14	407.71	1.35	-60.79
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210620	0	53	-1.0	-50.14	400.30	6.94	-43.20
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210620	1	53	-1.0	-50.16	400.34	6.95	-43.21
CCN(CC)C(=O)CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210621	0	51	-1.0	-61.25	383.74	6.44	-54.81
CCN(CC)C(=O)CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210621	1	51	-1.0	-61.27	383.79	6.44	-54.83
COCCS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210622	0	49	-1.0	-52.19	393.94	2.84	-49.35
COCCS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210622	1	49	-1.0	-52.12	393.94	2.85	-49.27
O=C(CC1CCCC1)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210623	0	49	-1.0	-44.92	365.42	4.56	-40.36
O=C(CC1CCCC1)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210623	1	49	-1.0	-44.94	365.47	4.57	-40.37
CC(C)COC(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020210624	0	56	-1.0	-55.41	413.47	6.79	-48.62
CC(C)COC(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020210624	1	56	-1.0	-55.35	413.52	6.79	-48.56
CC(=O)N(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020210625	0	52	-1.0	-46.13	399.71	7.78	-38.35
CC(=O)N(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020210625	1	52	-1.0	-46.14	399.76	7.78	-38.36
CC(=O)C1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020210626	0	50	-1.0	-49.20	388.15	7.09	-42.11
CC(=O)C1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020210626	1	50	-1.0	-49.24	388.21	7.09	-42.15
CC1=CC=CC(N2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=N2)=C1	REAL300020210627	0	45	-1.0	-48.49	354.51	6.35	-42.14
CC1=CC=CC(N2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=N2)=C1	REAL300020210627	1	45	-1.0	-48.42	354.46	6.33	-42.09
O=C(C1=CSC(C2=C(F)C=CC=C2F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210628	0	42	-1.0	-54.00	348.69	7.10	-46.90
O=C(C1=CSC(C2=C(F)C=CC=C2F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210628	1	42	-1.0	-53.99	348.64	7.10	-46.89
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020210629	0	48	-2.0	-119.22	391.94	2.71	-116.51
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020210629	1	48	-2.0	-119.19	392.00	2.73	-116.46
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)NC(C2=NC=CC=N2)=N1	REAL300020210629	1	49	-1.0	-61.51	394.33	3.87	-57.64
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)NC(C2=NC=CC=N2)=N1	REAL300020210629	1	49	-1.0	-61.53	394.39	3.90	-57.63
CCC(C)N1N=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C(C)N=C21	REAL300020210630	0	53	-1.0	-50.04	404.38	7.25	-42.79
CCC(C)N1N=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C(C)N=C21	REAL300020210630	1	53	-1.0	-50.00	404.39	7.25	-42.75
O=C(CC1=CC=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210631	0	39	-1.0	-47.28	324.57	7.11	-40.17
O=C(CC1=CC=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210631	1	39	-1.0	-47.30	324.62	7.13	-40.17
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(C2=CC=CO2)O1	REAL300020210632	0	45	-1.0	-57.79	365.65	3.12	-54.67
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CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCOCC1	REAL300020210665	1	45	-1.0	-48.02	319.62	1.66	-46.36
CC(C)(C)N1C=CN=C1SCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210666	0	49	-1.0	-49.87	377.54	7.10	-42.77
CC(C)(C)N1C=CN=C1SCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210666	1	49	-1.0	-49.82	377.48	7.09	-42.73
CC1=NC=CN1CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210667	0	45	-1.0	-55.83	346.39	6.67	-49.16
CC1=NC=CN1CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210667	1	45	-1.0	-55.82	346.44	6.68	-49.14
CC1=[NH+]C=CN1CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210667	1	46	0.0	-65.01	354.51	6.74	-58.27
CC1=[NH+]C=CN1CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210667	1	46	0.0	-65.00	354.57	6.75	-58.25
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CC(C)(C)C1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020210670	1	47	-1.0	-50.10	374.74	5.60	-44.50
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1F	REAL300020210671	0	45	-1.0	-47.57	340.39	7.81	-39.76
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1F	REAL300020210671	1	45	-1.0	-47.78	340.11	7.83	-39.95
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O=C(CC1=CC=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210676	1	39	-1.0	-47.39	320.06	7.02	-40.37
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)[NH+]1C(C)CCC1C	REAL300020210677	0	51	0.0	-46.35	345.56	6.17	-40.18
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CC1=NSC2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020210680	0	40	-1.0	-45.80	327.31	4.13	-41.67
CC1=NSC2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020210680	1	40	-1.0	-45.80	327.34	4.15	-41.65
O=C(CC1CCCCC1)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210681	0	52	-1.0	-44.87	382.08	5.20	-39.67
O=C(CC1CCCCC1)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210681	1	52	-1.0	-44.89	382.13	5.22	-39.67
CC1=NOC(C)=C1C(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210682	0	44	-1.0	-50.03	326.14	5.60	-44.43
CC1=NOC(C)=C1C(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210682	1	44	-1.0	-50.06	326.20	5.60	-44.46
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C([N+](=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300020210683	0	46	-1.0	-38.50	372.13	8.46	-30.04
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C([N+](=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300020210683	1	46	-1.0	-38.49	372.18	8.47	-30.02
CC(C)OC1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210684	0	49	-1.0	-49.74	376.03	6.99	-42.75
CC(C)OC1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210684	1	49	-1.0	-49.68	376.09	7.01	-42.67
O=C(C1=CC=C(N2C=CN=C2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210685	0	41	-1.0	-47.72	326.37	6.43	-41.29
O=C(C1=CC=C(N2C=CN=C2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210685	1	41	-1.0	-47.68	326.43	6.44	-41.24
CC1=CC=CN2C=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)N=C12	REAL300020210686	0	45	-1.0	-60.06	355.48	7.30	-52.76
CC1=CC=CN2C=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)N=C12	REAL300020210686	1	45	-1.0	-60.08	355.54	7.33	-52.75
O=C(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210687	0	42	-1.0	-58.47	367.52	7.66	-50.81
O=C(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210687	1	42	-1.0	-58.49	367.58	7.69	-50.80
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210688	0	44	-1.0	-50.22	339.23	4.58	-45.64
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210688	1	44	-1.0	-50.26	339.30	4.61	-45.65
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210689	0	49	-1.0	-50.10	386.87	10.05	-40.05
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210689	1	49	-1.0	-50.09	386.83	10.03	-40.06
COC1=CC=C(CCCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210690	0	55	-1.0	-51.34	418.49	8.89	-42.45
COC1=CC=C(CCCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210690	1	55	-1.0	-51.32	418.54	8.90	-42.42
CCSC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210691	0	42	-1.0	-46.55	339.13	5.63	-40.92
CCSC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210691	1	42	-1.0	-46.52	339.10	5.63	-40.89
CN(C)C(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210692	0	46	-1.0	-49.46	351.16	5.25	-44.21
CN(C)C(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210692	1	46	-1.0	-49.49	351.23	5.26	-44.23
O=C(C1CCOC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210693	0	44	-1.0	-50.59	330.85	6.01	-44.58
O=C(C1CCOC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210693	1	44	-1.0	-50.63	330.90	6.03	-44.60
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210694	0	45	-1.0	-55.32	365.83	3.15	-52.17
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210694	1	45	-1.0	-55.32	365.88	3.16	-52.16
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210695	0	46	-1.0	-46.10	375.36	6.70	-39.40
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210695	1	46	-1.0	-46.14	375.43	6.71	-39.43
O=C(C1=CC=C(OCC2CC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210696	0	46	-1.0	-46.64	360.58	4.56	-42.08
O=C(C1=CC=C(OCC2CC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210696	1	46	-1.0	-46.57	360.55	4.56	-42.01
CCC1=CC=C(C(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210697	0	48	-1.0	-50.25	358.56	8.27	-41.98
CCC1=CC=C(C(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210697	1	48	-1.0	-50.22	358.61	8.27	-41.95
O=C(CCC1=CC=CC(OC2CCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210698	0	56	-1.0	-48.28	418.72	9.44	-38.84
O=C(CCC1=CC=CC(OC2CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210698	1	56	-1.0	-48.31	418.77	9.44	-38.87
O=C(COC1=CC=CC=C1OCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210699	0	47	-1.0	-58.97	387.52	6.96	-52.01
O=C(COC1=CC=CC=C1OCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210699	1	47	-1.0	-58.93	387.58	6.99	-51.94
O=C(NCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C1CCCC1	REAL300020210700	0	56	-1.0	-50.00	423.70	7.01	-42.99
O=C(NCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C1CCCC1	REAL300020210700	1	56	-1.0	-49.98	423.70	7.01	-42.97
CCCCCS(=O)(=O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210701	0	47	-1.0	-65.27	370.57	3.69	-61.58
CCCCCS(=O)(=O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210701	1	47	-1.0	-65.33	370.62	3.70	-61.63
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)C1CCCCC1	REAL300020210702	0	55	-1.0	-47.51	395.55	6.13	-41.38
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)C1CCCCC1	REAL300020210702	1	55	-1.0	-47.49	395.51	6.13	-41.36
O=C(CCC1=CC=CC=C1OC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210703	0	46	-1.0	-47.24	374.00	6.74	-40.50
O=C(CCC1=CC=CC=C1OC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210703	1	46	-1.0	-47.21	374.07	6.74	-40.47
O=C(C1=CN=C(C2=CC=CC=N2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210704	0	41	-1.0	-51.36	341.44	4.66	-46.70
O=C(C1=CN=C(C2=CC=CC=N2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210704	1	41	-1.0	-51.39	341.49	4.67	-46.72
CC(C)OC1=CC=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210705	0	50	-1.0	-50.23	380.97	7.77	-42.46
CC(C)OC1=CC=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210705	1	50	-1.0	-50.25	381.02	7.79	-42.46
CC1=CC=CC=C1C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020210706	0	45	-1.0	-52.47	356.03	7.20	-45.27
CC1=CC=CC=C1C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020210706	1	45	-1.0	-52.44	356.08	7.21	-45.23
O=C(C1=CSC(C2=CC=CC=C2Cl)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210707	0	42	-1.0	-51.86	353.36	7.30	-44.56
O=C(C1=CSC(C2=CC=CC=C2Cl)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210707	1	42	-1.0	-51.82	353.30	7.28	-44.54
CC(C)(C)C1=CC=C(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210708	0	57	-1.0	-49.08	427.07	10.01	-39.07
CC(C)(C)C1=CC=C(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210708	1	57	-1.0	-49.09	427.13	10.02	-39.07
CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210709	0	49	-1.0	-47.64	363.32	3.24	-44.40
CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210709	1	49	-1.0	-47.67	363.38	3.23	-44.44
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210710	0	43	-1.0	-50.05	359.25	7.48	-42.57
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210710	1	43	-1.0	-50.10	359.30	7.50	-42.60
O=C(C1=CC=C(Br)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210711	0	35	-1.0	-45.79	294.45	5.05	-40.74
O=C(C1=CC=C(Br)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210711	1	35	-1.0	-45.75	294.40	5.04	-40.71
CC1CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC(C)(C)C1	REAL300020210712	0	54	-1.0	-48.89	377.92	8.26	-40.63
CC1CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC(C)(C)C1	REAL300020210712	1	54	-1.0	-48.93	377.97	8.27	-40.66
COC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020210713	0	45	-1.0	-51.35	358.80	7.23	-44.12
COC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020210713	1	45	-1.0	-51.35	358.85	7.25	-44.10
CCCCCCC(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210714	0	53	-1.0	-45.86	381.89	8.67	-37.19
CCCCCCC(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210714	1	53	-1.0	-45.82	381.92	8.68	-37.14
NS(=O)(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210715	0	44	-1.0	-56.30	357.06	1.41	-54.89
NS(=O)(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210715	1	44	-1.0	-56.29	357.11	1.41	-54.88
O=C(C1NC2=CC=CC=C2S(=O)(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210716	0	44	-1.0	-51.43	347.34	-0.08	-51.51
O=C(C1NC2=CC=CC=C2S(=O)(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210716	1	44	-1.0	-51.42	347.39	-0.07	-51.49
O=C(NCCCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210717	0	49	-1.0	-44.45	382.24	5.47	-38.98
O=C(NCCCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210717	1	49	-1.0	-44.46	382.29	5.47	-38.99
CCCN(CCC)C(=O)CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210718	0	54	-1.0	-46.89	405.24	7.17	-39.72
CCCN(CCC)C(=O)CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210718	1	54	-1.0	-46.94	405.29	7.17	-39.77
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300020210719	0	41	-1.0	-54.73	342.27	4.02	-50.71
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300020210719	1	41	-1.0	-54.74	342.32	4.02	-50.72
COC1=CC=CC=C1NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210720	0	45	-1.0	-49.58	348.99	3.72	-45.86
COC1=CC=CC=C1NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210720	1	45	-1.0	-49.57	349.06	3.73	-45.84
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210721	0	48	-1.0	-61.03	352.27	0.84	-60.19
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210721	1	48	-1.0	-61.06	352.33	0.84	-60.22
O=C(CNC(=O)NCC1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210722	0	48	-1.0	-45.68	399.61	3.76	-41.92
O=C(CNC(=O)NCC1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210722	1	48	-1.0	-45.69	399.67	3.76	-41.93
CC(=CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020210723	0	43	-1.0	-43.58	352.05	8.10	-35.48
CC(=CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020210723	1	43	-1.0	-43.59	352.10	8.11	-35.48
N#CC1=CC=C(OCC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)O2)C=C1	REAL300020210724	0	48	-1.0	-51.28	392.64	7.56	-43.72
N#CC1=CC=C(OCC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)O2)C=C1	REAL300020210724	1	48	-1.0	-51.27	392.69	7.56	-43.71
COC1=CC=CC=C1C(C)=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210725	0	47	-1.0	-47.03	366.87	6.95	-40.08
COC1=CC=CC=C1C(C)=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210725	1	47	-1.0	-47.00	366.92	6.95	-40.05
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)C1CCCC1	REAL300020210726	0	52	-1.0	-46.10	375.04	5.80	-40.30
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)C1CCCC1	REAL300020210726	1	52	-1.0	-46.09	375.06	5.81	-40.28
CC1=CC=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210727	0	39	-1.0	-52.69	304.74	6.05	-46.64
CC1=CC=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210727	1	39	-1.0	-52.71	304.74	6.08	-46.63
CC(SC1=CC=C(C#N)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210728	0	44	-1.0	-49.02	366.07	7.59	-41.43
CC(SC1=CC=C(C#N)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210728	1	44	-1.0	-49.04	366.13	7.61	-41.43
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(CC(C)C)=N1	REAL300020210729	0	47	-1.0	-47.49	367.73	5.88	-41.61
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(CC(C)C)=N1	REAL300020210729	1	47	-1.0	-47.51	367.77	5.88	-41.63
O=C(CCN1CCCC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210730	0	43	-1.0	-52.54	334.02	4.16	-48.38
O=C(CCN1CCCC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210730	1	43	-1.0	-52.56	334.08	4.18	-48.38
CC1(C)CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020210731	0	52	-1.0	-50.53	371.93	8.73	-41.80
CC1(C)CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020210731	1	52	-1.0	-50.53	371.99	8.75	-41.78
CC1=CC=C(C)C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210732	0	45	-1.0	-49.78	341.45	7.65	-42.13
CC1=CC=C(C)C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210732	1	45	-1.0	-49.79	341.50	7.66	-42.13
O=C(CC1=CNC2=CC(Cl)=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020210733	0	43	-1.0	-51.56	351.75	7.02	-44.54
O=C(CC1=CNC2=CC(Cl)=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020210733	1	43	-1.0	-51.60	351.80	7.02	-44.58
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210734	0	46	-1.0	-59.84	363.09	7.55	-52.29
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210734	1	46	-1.0	-59.86	363.16	7.55	-52.31
CC1CCN(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)CC1	REAL300020210735	0	53	-1.0	-49.53	393.57	6.80	-42.73
CC1CCN(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)CC1	REAL300020210735	1	53	-1.0	-49.51	393.53	6.79	-42.72
O=C(C1=CC=C(N2CCCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210736	0	47	-1.0	-48.69	355.92	5.45	-43.24
O=C(C1=CC=C(N2CCCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210736	1	47	-1.0	-48.72	355.88	5.43	-43.29
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL300020210737	0	48	-1.0	-51.18	362.10	6.01	-45.17
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C2OCCOC2=C1	REAL300020210737	1	48	-1.0	-51.17	362.15	6.02	-45.15
O=C(CSCC1CCCCO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210738	0	47	-1.0	-51.29	367.15	5.61	-45.68
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CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210782	0	52	-1.0	-47.46	378.20	3.58	-43.88
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210782	1	52	-1.0	-47.54	378.20	3.59	-43.95
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CC(C)N(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020210785	1	58	-1.0	-55.80	422.38	7.16	-48.64
CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210786	0	55	-1.0	-44.84	401.02	4.47	-40.37
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CC1=CC=C(C(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210789	0	45	-1.0	-50.24	337.07	7.50	-42.74
CC1=CC=C(C(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210789	1	45	-1.0	-50.29	337.12	7.50	-42.79
CN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020210790	0	49	-1.0	-48.78	368.48	5.42	-43.36
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O=C(CNCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210791	1	37	-1.0	-49.93	300.20	2.03	-47.90
CNC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210792	0	42	-1.0	-47.35	333.77	1.87	-45.48
CNC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210792	1	42	-1.0	-47.34	333.74	1.86	-45.48
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210793	0	50	-1.0	-58.16	390.40	7.50	-50.66
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210793	1	50	-1.0	-58.19	390.34	7.50	-50.69
CCCN(CCC)C(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210794	0	58	-1.0	-51.67	434.73	8.71	-42.96
CCCN(CCC)C(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210794	1	58	-1.0	-51.68	434.77	8.74	-42.94
O=CC1=CC=CC=C1OCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210795	0	42	-1.0	-54.61	338.97	5.60	-49.01
O=CC1=CC=CC=C1OCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210795	1	42	-1.0	-54.62	339.03	5.63	-48.99
O=CC1=CC=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210796	0	42	-1.0	-57.22	339.99	5.59	-51.63
O=CC1=CC=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210796	1	42	-1.0	-57.19	340.05	5.60	-51.59
O=C(C1=NN(C2=CC=C(F)C=C2)C=CC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210797	0	45	-1.0	-55.52	365.64	8.00	-47.52
O=C(C1=NN(C2=CC=C(F)C=C2)C=CC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210797	1	45	-1.0	-55.44	365.46	8.01	-47.43
COC(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210798	0	48	-1.0	-49.05	384.18	7.57	-41.48
COC(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210798	1	48	-1.0	-49.00	384.24	7.58	-41.42
O=C(CC1OCCC2=C1SC=C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020210799	0	44	-1.0	-48.50	348.61	6.11	-42.39
O=C(CC1OCCC2=C1SC=C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020210799	1	44	-1.0	-48.50	348.67	6.13	-42.37
CC(C)C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020210800	0	51	-1.0	-48.89	379.50	8.46	-40.43
CC(C)C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020210800	1	51	-1.0	-48.92	379.57	8.47	-40.45
COCCN1C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C(C)=C1C	REAL300020210801	0	56	-1.0	-52.72	430.83	8.33	-44.39
COCCN1C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C(C)=C1C	REAL300020210801	1	56	-1.0	-52.73	430.88	8.35	-44.38
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020210802	0	39	-1.0	-47.70	315.33	6.48	-41.22
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020210802	1	39	-1.0	-47.73	315.36	6.48	-41.25
CN(C)C(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210803	0	46	-1.0	-55.94	351.56	5.32	-50.62
CN(C)C(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210803	1	46	-1.0	-55.92	351.60	5.33	-50.59
O=C(C1=CC2=C(CCOC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210804	0	41	-1.0	-51.40	323.84	4.82	-46.58
O=C(C1=CC2=C(CCOC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210804	1	41	-1.0	-51.37	323.89	4.84	-46.53
N#CC1=CC=C(SCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210805	0	41	-1.0	-50.48	347.33	6.99	-43.49
N#CC1=CC=C(SCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210805	1	41	-1.0	-50.48	347.39	7.00	-43.48
O=CC1=CC=C(OCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210806	0	45	-1.0	-49.03	356.24	5.87	-43.16
O=CC1=CC=C(OCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210806	1	45	-1.0	-49.03	356.29	5.89	-43.14
O=CC1=CC=CC(OCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210807	0	45	-1.0	-51.53	356.22	5.80	-45.73
O=CC1=CC=CC(OCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210807	1	45	-1.0	-51.57	356.27	5.80	-45.77
C[NH+](C)CCN1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1=O	REAL300020210808	0	52	0.0	-68.06	386.43	5.07	-62.99
C[NH+](C)CCN1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1=O	REAL300020210808	1	52	0.0	-68.01	386.49	5.10	-62.91
CC(C)C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1	REAL300020210809	0	42	-1.0	-50.84	321.04	4.82	-46.02
CC(C)C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1	REAL300020210809	1	42	-1.0	-50.87	321.09	4.84	-46.03
O=C(C1=CN2C=CC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210810	0	40	-1.0	-54.88	311.53	6.73	-48.15
O=C(C1=CN2C=CC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210810	1	40	-1.0	-54.91	311.57	6.74	-48.17
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1S(N)(=O)=O	REAL300020210811	0	44	-1.0	-55.48	351.87	1.24	-54.24
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1S(N)(=O)=O	REAL300020210811	1	44	-1.0	-55.47	351.91	1.26	-54.21
CN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)C1CC1	REAL300020210812	0	43	-1.0	-53.86	336.25	4.59	-49.27
CN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)C1CC1	REAL300020210812	1	43	-1.0	-53.78	336.31	4.62	-49.16
COCC(=O)NCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210813	0	43	-1.0	-61.73	336.90	1.96	-59.77
COCC(=O)NCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210813	1	43	-1.0	-61.72	336.95	1.96	-59.76
COC1=CC=CC(SCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210814	0	44	-1.0	-52.36	351.10	6.24	-46.12
COC1=CC=CC(SCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210814	1	44	-1.0	-52.38	351.16	6.25	-46.13
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1=O	REAL300020210815	0	59	0.0	-53.05	423.77	7.36	-45.69
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1=O	REAL300020210815	1	59	0.0	-69.48	425.97	7.06	-62.42
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1=O	REAL300020210815	1	59	0.0	-53.09	423.84	7.38	-45.71
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1=O	REAL300020210815	1	59	0.0	-69.51	426.03	7.07	-62.44
CCN(CC)S(=O)(=O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210816	0	46	-1.0	-61.60	359.90	2.52	-59.08
CCN(CC)S(=O)(=O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210816	1	46	-1.0	-61.61	359.95	2.53	-59.08
O=C(C1=CSC2=CN=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210817	0	36	-1.0	-41.62	295.75	5.75	-35.87
O=C(C1=CSC2=CN=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210817	1	36	-1.0	-41.67	295.77	5.76	-35.91
CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210818	0	45	-1.0	-58.26	363.99	3.70	-54.56
CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210818	1	45	-1.0	-58.19	364.04	3.70	-54.49
O=C(CSC1=NN=NN1CC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210819	0	41	-1.0	-45.43	356.78	4.36	-41.07
O=C(CSC1=NN=NN1CC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210819	1	41	-1.0	-45.41	356.73	4.36	-41.05
CC(C)C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020210820	0	42	-1.0	-47.39	342.58	4.72	-42.67
CC(C)C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020210820	1	42	-1.0	-47.42	342.67	4.73	-42.69
CC(=O)NCCNC(=O)CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210821	0	49	-1.0	-52.03	384.99	0.95	-51.08
CC(=O)NCCNC(=O)CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210821	1	49	-1.0	-52.07	385.04	0.96	-51.11
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210822	0	60	0.0	-61.40	432.96	8.32	-53.08
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210822	1	60	0.0	-61.37	433.01	8.32	-53.05
CCCCCC[N@H+](C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210823	0	53	0.0	-66.23	387.29	7.55	-58.68
CCCCCC[N@@H+](C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210823	1	53	0.0	-66.06	386.26	7.64	-58.42
O=C(CCC1=NC2=CC=CNC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210824	0	44	-1.0	-70.40	344.78	5.49	-64.91
O=C(CCC1=NC2=CC=CNC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210824	1	44	-1.0	-70.40	344.84	5.50	-64.90
CC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020210825	0	45	-1.0	-61.32	350.98	7.71	-53.61
CC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020210825	1	45	-1.0	-61.29	351.02	7.73	-53.56
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210826	0	45	-1.0	-54.26	368.45	4.25	-50.01
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210826	1	45	-1.0	-54.25	368.49	4.26	-49.99
O=C(CN1CCC(=O)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210827	0	41	-1.0	-57.81	325.31	1.50	-56.31
O=C(CN1CCC(=O)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210827	1	41	-1.0	-57.86	325.37	1.51	-56.35
COCCC1=CC=C(OCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210828	0	56	-1.0	-52.21	431.03	7.35	-44.86
COCCC1=CC=C(OCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210828	1	56	-1.0	-52.22	431.07	7.35	-44.87
O=C(CN1CC2=CC=CC=C2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210829	0	44	-1.0	-59.17	351.53	5.79	-53.38
O=C(CN1CC2=CC=CC=C2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210829	1	44	-1.0	-59.13	351.60	5.79	-53.34
O=C(CNC(=O)OCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210830	0	40	-1.0	-44.90	334.03	1.89	-43.01
O=C(CNC(=O)OCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210830	1	40	-1.0	-44.92	334.08	1.89	-43.03
CCC1=C2NC=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=CC=C1	REAL300020210831	0	49	-1.0	-51.06	378.09	7.95	-43.11
CCC1=C2NC=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=CC=C1	REAL300020210831	1	49	-1.0	-51.12	378.14	7.98	-43.14
O=CC1=CC=C(OCC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CO2)C=C1	REAL300020210832	0	49	-1.0	-56.28	391.46	6.46	-49.82
O=CC1=CC=C(OCC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CO2)C=C1	REAL300020210832	1	49	-1.0	-56.30	391.50	6.47	-49.83
O=CC1=CC=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020210833	0	44	-1.0	-63.71	365.89	6.73	-56.98
O=CC1=CC=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020210833	1	44	-1.0	-63.73	365.95	6.76	-56.97
O=CC1=CC=C(OC(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210834	0	42	-1.0	-47.06	346.17	5.58	-41.48
O=CC1=CC=C(OC(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210834	1	42	-1.0	-47.16	346.24	5.61	-41.55
O=C(C1=C2C=CC=CN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210835	0	39	-1.0	-56.45	310.95	5.15	-51.30
O=C(C1=C2C=CC=CN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210835	1	39	-1.0	-54.26	310.10	5.51	-48.75
COC1=CC=C(CN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)C=C1	REAL300020210836	0	50	-1.0	-52.35	393.03	6.02	-46.33
COC1=CC=C(CN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)C=C1	REAL300020210836	1	50	-1.0	-52.32	392.98	6.01	-46.31
CC1OC2=C(C=CC=C2C(=O)N2CCCCC2CC2=N[N-]N=N2)NC1=O	REAL300020210837	0	45	-1.0	-54.45	347.74	3.89	-50.56
CC1OC2=C(C=CC=C2C(=O)N2CCCCC2CC2=NN=N[N-]2)NC1=O	REAL300020210837	1	45	-1.0	-54.47	347.74	3.92	-50.55
O=C(C1=CC=CC(C(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210838	0	39	-1.0	-48.28	312.13	6.23	-42.05
O=C(C1=CC=CC(C(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210838	1	39	-1.0	-48.30	312.17	6.24	-42.06
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N2N=CC=C2N1	REAL300020210839	0	45	-1.0	-67.60	356.59	4.33	-63.27
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N2N=CC=C2N1	REAL300020210839	1	45	-1.0	-67.63	356.66	4.33	-63.30
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1CC1CC1	REAL300020210840	0	50	-1.0	-53.61	376.37	8.54	-45.07
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1CC1CC1	REAL300020210840	1	50	-1.0	-53.63	376.43	8.55	-45.08
O=C(C1=CC=C(C2=NOC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210841	0	41	-1.0	-52.00	330.35	3.98	-48.02
O=C(C1=CC=C(C2=NOC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210841	1	41	-1.0	-52.01	330.31	3.97	-48.04
O=C(CC1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210842	0	42	-1.0	-49.32	336.81	6.73	-42.59
O=C(CC1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210842	1	42	-1.0	-49.32	336.87	6.73	-42.59
O=C(CCCC1=CC=C2NC(=O)CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210843	0	50	-1.0	-53.83	388.17	6.53	-47.30
O=C(CCCC1=CC=C2NC(=O)CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210843	1	50	-1.0	-53.85	388.22	6.53	-47.32
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CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020210880	1	52	0.0	-38.63	370.38	8.64	-29.99
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCC2=CC=CC=C2C1	REAL300020210880	1	51	-1.0	-44.43	362.03	5.95	-38.48
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COC1=CC=CC=C1CC(C)=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210894	1	50	-1.0	-43.65	386.18	7.79	-35.86
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CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C(F)=C2)C=C1	REAL300020210896	0	49	-1.0	-52.48	378.81	9.49	-42.99
CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C(F)=C2)C=C1	REAL300020210896	1	49	-1.0	-52.57	378.81	9.49	-43.08
COC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C(F)=C2)C=C1	REAL300020210897	0	50	-1.0	-53.70	386.84	8.12	-45.58
COC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C(F)=C2)C=C1	REAL300020210897	1	50	-1.0	-53.67	386.84	8.12	-45.55
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020210898	0	51	-1.0	-48.81	404.90	6.07	-42.74
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020210898	1	51	-1.0	-48.85	404.97	6.08	-42.77
O=C(C1=CC=CC2=C1OCC(=O)N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020210899	0	42	-1.0	-54.61	327.47	3.23	-51.38
O=C(C1=CC=CC2=C1OCC(=O)N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020210899	1	42	-1.0	-54.63	327.47	3.25	-51.38
CC(=O)C1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210900	0	38	-1.0	-55.02	314.72	4.83	-50.19
CC(=O)C1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210900	1	38	-1.0	-55.07	314.78	4.83	-50.24
O=C(C1=CC=C(N2C=CC=N2)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210901	0	43	-1.0	-52.64	342.60	6.74	-45.90
O=C(C1=CC=C(N2C=CC=N2)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210901	1	43	-1.0	-52.58	342.57	6.73	-45.85
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1C1=CC=CC=C1Cl	REAL300020210902	0	45	-1.0	-48.97	364.97	6.83	-42.14
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1C1=CC=CC=C1Cl	REAL300020210902	1	45	-1.0	-48.95	365.02	6.83	-42.12
CC1=CC=C2C(=C1)SC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2Cl	REAL300020210903	0	42	-1.0	-50.04	353.44	7.89	-42.15
CC1=CC=C2C(=C1)SC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2Cl	REAL300020210903	1	42	-1.0	-50.02	353.80	7.89	-42.13
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020210904	0	39	-1.0	-46.73	308.96	6.24	-40.49
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020210904	1	39	-1.0	-46.75	309.00	6.25	-40.50
O=C(COCC1CCCO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210905	0	44	-1.0	-54.63	339.57	3.74	-50.89
O=C(COCC1CCCO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210905	1	44	-1.0	-54.60	339.64	3.76	-50.84
O=CC1=CC=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210906	0	42	-1.0	-62.88	335.27	5.78	-57.10
O=CC1=CC=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210906	1	42	-1.0	-62.92	335.32	5.79	-57.13
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020210907	0	40	-1.0	-48.66	321.33	5.11	-43.55
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020210907	1	40	-1.0	-48.67	321.27	5.10	-43.57
O=C(C1=CC=C(OC2=CC=C(F)C=C2F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210908	0	47	-1.0	-51.36	380.56	8.41	-42.95
O=C(C1=CC=C(OC2=CC=C(F)C=C2F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210908	1	47	-1.0	-51.38	380.58	8.42	-42.96
O=C(C1COC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210909	0	41	-1.0	-51.39	311.15	5.27	-46.12
O=C(C1COC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210909	1	41	-1.0	-51.36	311.20	5.29	-46.07
O=C(C1=COC2=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020210910	0	39	-1.0	-57.02	311.33	5.82	-51.20
O=C(C1=COC2=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020210910	1	39	-1.0	-56.77	311.37	5.88	-50.89
CCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020210911	0	46	-1.0	-48.70	351.45	6.36	-42.34
CCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020210911	1	46	-1.0	-48.69	351.49	6.37	-42.32
O=C(C1=CC=CC(OC2CCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210912	0	50	-1.0	-48.91	374.24	7.56	-41.35
O=C(C1=CC=CC(OC2CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210912	1	50	-1.0	-48.85	374.28	7.57	-41.28
CC(C)(C)OC(=O)NCCOCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210913	0	53	-1.0	-55.06	404.10	3.35	-51.71
CC(C)(C)OC(=O)NCCOCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210913	1	53	-1.0	-55.10	404.15	3.36	-51.74
O=C(C=CC1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210914	0	44	-1.0	-49.65	330.08	4.90	-44.75
O=C(C=CC1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210914	1	44	-1.0	-49.67	330.13	4.92	-44.75
CC(OC1=CC=CC=C1Br)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210915	0	43	-1.0	-53.80	350.72	6.79	-47.01
CC(OC1=CC=CC=C1Br)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210915	1	43	-1.0	-53.78	350.78	6.80	-46.98
O=C(CN1N=CN2N=CC=C2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210916	0	41	-1.0	-55.89	335.20	4.33	-51.56
O=C(CN1N=CN2N=CC=C2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210916	1	41	-1.0	-55.87	335.26	4.34	-51.53
O=C(CC1CCC2=CC=CC=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210917	0	49	-1.0	-49.70	365.14	8.58	-41.12
O=C(CC1CCC2=CC=CC=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210917	1	49	-1.0	-49.75	365.20	8.59	-41.16
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)C1=CC=CC=C1	REAL300020210918	0	47	-1.0	-45.31	360.19	7.57	-37.74
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)C1=CC=CC=C1	REAL300020210918	1	47	-1.0	-45.26	360.24	7.57	-37.69
O=C(C1=CC=NC(C2CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210919	0	41	-1.0	-47.12	320.43	5.98	-41.14
O=C(C1=CC=NC(C2CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210919	1	41	-1.0	-47.28	320.19	6.01	-41.27
CCOC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020210920	0	42	-1.0	-44.89	345.43	3.58	-41.31
CCOC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020210920	1	42	-1.0	-44.91	345.40	3.57	-41.34
CS(=O)(=O)CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210921	0	41	-1.0	-64.49	328.22	1.79	-62.70
CS(=O)(=O)CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210921	1	41	-1.0	-64.46	328.27	1.79	-62.67
O=C(CC1CCCC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210922	0	49	-1.0	-44.63	360.09	8.51	-36.12
O=C(CC1CCCC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210922	1	49	-1.0	-44.60	360.13	8.53	-36.07
O=C(CC1CCC(C2=CC=CC=C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210923	0	55	-1.0	-47.90	389.82	10.05	-37.85
O=C(CC1CCC(C2=CC=CC=C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210923	1	55	-1.0	-47.89	389.86	10.06	-37.83
CSC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020210924	0	37	-1.0	-48.27	302.99	4.81	-43.46
CSC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020210924	1	37	-1.0	-48.27	303.04	4.83	-43.44
CC(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210925	0	45	-1.0	-48.68	336.79	7.57	-41.11
CC(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210925	1	45	-1.0	-48.69	336.85	7.57	-41.12
CC1(C)CCC(C)(C)C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020210926	0	58	-1.0	-50.12	411.82	9.74	-40.38
CC1(C)CCC(C)(C)C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020210926	1	58	-1.0	-50.16	411.86	9.76	-40.40
O=C(CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020210927	0	45	-1.0	-46.49	380.59	7.68	-38.81
O=C(CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020210927	1	45	-1.0	-46.50	380.65	7.70	-38.80
CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N(C)C1=O	REAL300020210928	0	42	-1.0	-44.06	322.26	3.29	-40.77
CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N(C)C1=O	REAL300020210928	1	42	-1.0	-44.06	322.33	3.31	-40.75
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210929	0	43	-1.0	-53.53	349.38	7.01	-46.52
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210929	1	43	-1.0	-53.50	349.32	7.01	-46.49
CN1C(=O)C(=O)N(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020210930	0	40	-1.0	-52.30	331.62	2.44	-49.86
CN1C(=O)C(=O)N(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020210930	1	40	-1.0	-52.27	331.69	2.45	-49.82
COC1=C(OC)C=C2NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C1	REAL300020210931	0	48	-1.0	-50.83	367.44	5.12	-45.71
COC1=C(OC)C=C2NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C1	REAL300020210931	1	48	-1.0	-50.87	367.49	5.13	-45.74
O=C(CC1=CC=C(Br)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210932	0	36	-1.0	-48.69	315.17	6.33	-42.36
O=C(CC1=CC=C(Br)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210932	1	36	-1.0	-48.64	315.22	6.35	-42.29
COC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210933	0	38	-1.0	-45.93	301.76	0.03	-45.90
COC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210933	1	38	-1.0	-45.95	301.72	0.01	-45.94
O=C(CCCN1C=CC=CC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210934	0	45	-1.0	-65.60	349.97	6.38	-59.22
O=C(CCCN1C=CC=CC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210934	1	45	-1.0	-65.68	350.02	6.39	-59.29
O=C(C1=CC=CC(N2C=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210935	0	43	-1.0	-56.76	338.54	6.58	-50.18
O=C(C1=CC=CC(N2C=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210935	1	43	-1.0	-56.74	338.51	6.57	-50.17
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)[NH+]1CCCCCC1	REAL300020210936	0	51	0.0	-46.43	344.80	6.53	-39.90
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)[NH+]1CCCCCC1	REAL300020210936	1	51	0.0	-46.47	344.75	6.52	-39.95
O=C(CC1=CC=C(Cl)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210937	0	38	-1.0	-50.55	319.49	4.69	-45.86
O=C(CC1=CC=C(Cl)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210937	1	38	-1.0	-50.60	319.43	4.68	-45.92
COCCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210938	0	47	-1.0	-50.59	363.03	4.82	-45.77
COCCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210938	1	47	-1.0	-50.54	363.03	4.84	-45.70
CCN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC1=O	REAL300020210939	0	41	-1.0	-47.11	321.04	3.91	-43.20
CCN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC1=O	REAL300020210939	1	41	-1.0	-47.12	321.10	3.91	-43.21
O=C(C(O)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210940	0	40	-1.0	-49.28	304.86	3.87	-45.41
O=C(C(O)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210940	1	40	-1.0	-49.31	304.91	3.89	-45.42
CCCCCC(O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210941	0	48	-1.0	-51.34	359.75	4.71	-46.63
CCCCCC(O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210941	1	48	-1.0	-51.37	359.80	4.71	-46.66
CC1CCCCC1OCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210942	0	49	-1.0	-50.00	364.19	6.59	-43.41
CC1CCCCC1OCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210942	1	49	-1.0	-50.02	364.26	6.61	-43.41
CC(CSC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210943	0	46	-1.0	-48.87	357.43	8.14	-40.73
CC(CSC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210943	1	46	-1.0	-48.91	357.48	8.15	-40.76
O=C(CC1=CC=CC=C1OC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210944	0	43	-1.0	-51.07	345.79	5.68	-45.39
O=C(CC1=CC=CC=C1OC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210944	1	43	-1.0	-51.09	345.85	5.68	-45.41
CC1CCC(N2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2=O)CC1	REAL300020210945	0	56	-1.0	-48.01	406.93	6.82	-41.19
CC1CCC(N2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2=O)CC1	REAL300020210945	1	56	-1.0	-48.02	407.00	6.84	-41.18
CCC(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210946	0	48	-1.0	-46.95	354.66	8.35	-38.60
CCC(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210946	1	48	-1.0	-46.92	354.71	8.36	-38.56
O=C(C1=CSC(C2=COC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210947	0	39	-1.0	-50.61	326.15	5.01	-45.60
O=C(C1=CSC(C2=COC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210947	1	39	-1.0	-50.60	326.10	5.00	-45.60
CC1=CC=CC=C1N1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020210948	0	46	-1.0	-50.72	358.78	7.35	-43.37
CC1=CC=CC=C1N1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020210948	1	46	-1.0	-50.71	358.73	7.34	-43.37
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020210949	0	49	-1.0	-50.10	388.45	7.76	-42.34
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020210949	1	49	-1.0	-50.08	388.48	7.76	-42.32
COC1=CC=C(C=O)C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210950	0	46	-1.0	-61.30	367.28	5.88	-55.42
COC1=CC=C(C=O)C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210950	1	46	-1.0	-61.28	367.34	5.91	-55.37
O=C(C=CC1=CC=C(N2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210951	0	53	-1.0	-50.79	395.66	5.71	-45.08
O=C(C=CC1=CC=C(N2CCOCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210951	1	53	-1.0	-50.84	395.71	5.74	-45.10
O=C(C1=CC=CC=C1)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020210952	0	53	-1.0	-53.76	391.11	7.31	-46.45
O=C(C1=CC=CC=C1)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020210952	1	53	-1.0	-53.80	391.17	7.34	-46.46
O=C(C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210953	0	47	-1.0	-49.28	379.02	8.17	-41.11
O=C(C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210953	1	47	-1.0	-49.34	379.06	8.18	-41.16
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210954	0	45	-1.0	-55.53	370.24	4.79	-50.74
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210954	1	45	-1.0	-55.53	370.18	4.76	-50.77
O=C(CC1=CC=C(Cl)C=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020210955	0	39	-1.0	-47.38	342.66	7.07	-40.31
O=C(CC1=CC=C(Cl)C=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020210955	1	39	-1.0	-47.33	342.73	7.08	-40.25
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1F	REAL300020210956	0	42	-1.0	-49.02	318.98	6.76	-42.26
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1F	REAL300020210956	1	42	-1.0	-49.00	319.03	6.76	-42.24
CN1C=C(C2=CN=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=N1	REAL300020210957	0	45	-1.0	-53.31	355.44	4.87	-48.44
CN1C=C(C2=CN=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=N1	REAL300020210957	1	45	-1.0	-53.29	355.48	4.86	-48.43
O=C(C1=CC=C(N2CCC(O)CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210958	0	52	-1.0	-52.01	381.17	3.25	-48.76
O=C(C1=CC=C(N2CCC(O)CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210958	1	52	-1.0	-52.05	381.21	3.26	-48.79
CC(C)C1=NC=CN1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210959	0	48	-1.0	-45.46	366.46	6.86	-38.60
CC(C)C1=NC=CN1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210959	1	48	-1.0	-45.45	366.51	6.88	-38.57
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210959	1	49	0.0	-51.81	363.87	7.34	-44.47
CC(C)(C)CNC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210960	0	55	-1.0	-51.04	413.44	6.68	-44.36
CC(C)(C)CNC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210960	1	55	-1.0	-51.07	413.44	6.69	-44.38
CN(CC(C)(C)C)C(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210961	0	58	-1.0	-56.46	423.41	8.17	-48.29
CN(CC(C)(C)C)C(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210961	1	58	-1.0	-56.48	423.44	8.17	-48.31
CC1=CC(=O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1	REAL300020210962	0	39	-1.0	-66.63	303.48	3.78	-62.85
CC1=CC(=O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1	REAL300020210962	1	39	-1.0	-66.66	303.54	3.78	-62.88
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2=CN(C)N=C2)=N1	REAL300020210963	0	45	-1.0	-51.62	365.96	4.84	-46.78
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2=CN(C)N=C2)=N1	REAL300020210963	1	45	-1.0	-51.60	365.92	4.84	-46.76
O=CNC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020210964	0	40	-1.0	-55.05	311.56	3.36	-51.69
O=CNC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020210964	1	40	-1.0	-55.08	311.60	3.36	-51.72
O=C(C1=CC(I)=CN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210965	0	34	-1.0	-51.83	293.20	4.78	-47.05
O=C(C1=CC(I)=CN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210965	1	34	-1.0	-51.84	293.27	4.78	-47.06
O=C(C1=CC=NC=C1)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020210966	0	52	-1.0	-52.64	386.15	5.58	-47.06
O=C(C1=CC=NC=C1)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020210966	1	52	-1.0	-52.65	386.10	5.55	-47.10
CCN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020210967	0	52	-1.0	-52.43	395.16	6.09	-46.34
CCN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020210967	1	52	-1.0	-52.44	395.23	6.11	-46.33
CC1=NN=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)O1	REAL300020210968	0	44	-1.0	-51.20	350.96	1.96	-49.24
CC1=NN=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)O1	REAL300020210968	1	44	-1.0	-51.23	350.96	1.96	-49.27
O=C(CC1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210969	0	41	-1.0	-48.52	331.49	7.17	-41.35
O=C(CC1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210969	1	41	-1.0	-48.52	331.54	7.18	-41.34
CC1=NNC(C)=C1CC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210970	0	48	-1.0	-47.76	352.02	4.77	-42.99
CC1=NNC(C)=C1CC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210970	1	48	-1.0	-47.79	352.07	4.78	-43.01
CC(C)(C)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020210971	0	44	-1.0	-47.80	337.73	6.01	-41.79
CC(C)(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020210971	1	44	-1.0	-47.80	337.68	5.98	-41.82
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020210972	0	43	-1.0	-41.21	330.00	5.79	-35.42
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020210972	1	43	-1.0	-41.18	330.05	5.79	-35.39
COC1=CC=C2SC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(C)C2=C1	REAL300020210973	0	46	-1.0	-51.34	361.41	6.97	-44.37
COC1=CC=C2SC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(C)C2=C1	REAL300020210973	1	46	-1.0	-51.35	361.40	6.99	-44.36
CC1=NC(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=NN1	REAL300020210974	0	45	-1.0	-53.14	355.18	6.03	-47.11
CC1=NC(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=NN1	REAL300020210974	1	45	-1.0	-53.10	355.18	6.05	-47.05
CCN1CCOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020210975	0	45	-1.0	-51.57	327.19	2.54	-49.03
CCN1CCOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020210975	1	45	-1.0	-51.57	327.24	2.56	-49.01
CC[N@@H+]1CCOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020210975	1	46	0.0	-76.46	334.70	4.54	-71.92
CC[N@H+]1CCOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020210975	1	46	0.0	-63.35	322.73	4.58	-58.77
O=C(C1=CC(C2=CC=CC=C2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210976	0	42	-1.0	-48.93	341.05	6.77	-42.16
O=C(C1=CC(C2=CC=CC=C2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210976	1	42	-1.0	-48.93	341.01	6.75	-42.18
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020210977	0	49	-1.0	-51.56	390.57	6.24	-45.32
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020210977	1	49	-1.0	-51.59	390.60	6.25	-45.34
O=C(NCC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210978	0	43	-1.0	-43.51	345.65	3.99	-39.52
O=C(NCC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210978	1	43	-1.0	-43.50	345.71	4.00	-39.50
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(C2=CC=CC=C2)=N1	REAL300020210979	0	45	-1.0	-48.93	353.80	4.90	-44.03
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(C2=CC=CC=C2)=N1	REAL300020210979	1	45	-1.0	-48.93	353.75	4.90	-44.03
CC(C)C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300020210980	0	51	-1.0	-63.81	399.64	8.65	-55.16
CC(C)C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300020210980	1	51	-1.0	-63.84	399.69	8.67	-55.17
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210981	0	48	0.0	-74.58	368.37	6.44	-68.14
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210981	1	48	0.0	-74.54	368.31	6.43	-68.11
O=C(C1=CC=C(C2=CC=CC=C2)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210982	0	44	-1.0	-49.71	341.57	7.18	-42.53
O=C(C1=CC=C(C2=CC=CC=C2)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210982	1	44	-1.0	-49.71	341.62	7.18	-42.53
O=C(C1CC1C1=C(F)C=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020210983	0	43	-1.0	-43.63	331.03	7.77	-35.86
O=C(C1CC1C1=C(F)C=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020210983	1	43	-1.0	-43.57	330.85	7.79	-35.78
CN(C)C(=O)CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210984	0	45	-1.0	-61.28	341.55	4.52	-56.76
CN(C)C(=O)CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210984	1	45	-1.0	-61.28	341.60	4.53	-56.75
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC1=CC=NC=C1	REAL300020210985	0	49	-1.0	-51.01	384.57	7.21	-43.80
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC1=CC=NC=C1	REAL300020210985	1	49	-1.0	-51.06	384.61	7.24	-43.82
CC1=NN(C)C=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210986	0	45	-1.0	-50.93	347.75	5.60	-45.33
CC1=NN(C)C=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210986	1	45	-1.0	-50.91	347.81	5.60	-45.31
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020210987	0	45	-1.0	-45.13	341.26	7.87	-37.26
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020210987	1	45	-1.0	-45.13	341.29	7.87	-37.26
CCC(CC1CCCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210988	0	54	-1.0	-47.38	370.08	8.33	-39.05
CCC(CC1CCCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210988	1	54	-1.0	-47.39	370.11	8.34	-39.05
CC1=NC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020210989	0	41	-1.0	-46.70	335.58	4.61	-42.09
CC1=NC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020210989	1	41	-1.0	-46.70	335.64	4.63	-42.07
CC(=CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1C	REAL300020210990	0	46	-1.0	-46.36	345.40	8.29	-38.07
CC(=CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1C	REAL300020210990	1	46	-1.0	-46.39	345.43	8.29	-38.10
O=C(COC1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210991	0	44	-1.0	-53.80	330.75	3.77	-50.03
O=C(COC1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210991	1	44	-1.0	-53.75	330.80	3.78	-49.97
CCCCC(CC)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210992	0	50	-1.0	-45.98	353.27	7.64	-38.34
CCCCC(CC)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210992	1	50	-1.0	-45.97	353.31	7.64	-38.33
O=C(C=CC1=CSC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210993	0	37	-1.0	-48.28	323.41	6.61	-41.67
O=C(C=CC1=CSC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210993	1	37	-1.0	-48.21	323.47	6.62	-41.59
O=C(CC1CCC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020210994	0	46	-1.0	-50.33	340.80	8.28	-42.05
O=C(CC1CCC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020210994	1	46	-1.0	-50.31	340.85	8.29	-42.02
CC1CCCC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020210995	0	49	-1.0	-53.15	360.57	6.83	-46.32
CC1CCCC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020210995	1	49	-1.0	-53.17	360.62	6.85	-46.32
O=C(C1=CC(Cl)=NC(N2CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210996	0	47	-1.0	-45.03	370.88	5.74	-39.29
O=C(C1=CC(Cl)=NC(N2CCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210996	1	47	-1.0	-45.04	370.83	5.74	-39.30
CC1=CC=CC=C1C(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210997	0	48	-1.0	-45.86	360.16	7.84	-38.02
CC1=CC=CC=C1C(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210997	1	48	-1.0	-45.83	360.23	7.87	-37.96
CC(NS(C)(=O)=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210998	0	40	-1.0	-62.20	312.69	-0.86	-63.06
CC(NS(C)(=O)=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210998	1	40	-1.0	-62.27	312.70	-0.85	-63.12
O=C(C1=CSC(C2=CC=C(O)C=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210999	0	43	-1.0	-51.01	353.71	4.16	-46.85
O=C(C1=CSC(C2=CC=C(O)C=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020210999	1	43	-1.0	-50.98	353.76	4.17	-46.81
COC1=CC=C(C2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(C)O2)C=C1	REAL300020211000	0	49	-1.0	-48.27	383.24	5.22	-43.05
COC1=CC=C(C2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(C)O2)C=C1	REAL300020211000	1	49	-1.0	-48.26	383.19	5.20	-43.06
O=C(CCNC(=O)C1=NC=CC=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211001	0	46	-1.0	-58.67	370.51	1.39	-57.28
O=C(CCNC(=O)C1=NC=CC=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211001	1	46	-1.0	-58.63	370.57	1.42	-57.21
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211001	1	45	-2.0	-119.68	362.25	2.80	-116.88
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211001	1	45	-2.0	-119.65	362.30	2.81	-116.84
CC1=CC(F)=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020211002	0	49	-1.0	-47.23	388.57	9.59	-37.64
CC1=CC(F)=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020211002	1	49	-1.0	-47.24	388.60	9.59	-37.65
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020211003	0	38	-1.0	-50.44	326.10	6.03	-44.41
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O=C(C1=CC=CC(OC2=CC=NC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211004	1	46	-1.0	-50.26	364.72	6.52	-43.74
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O=C(C1CSC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211005	1	41	-1.0	-50.09	324.31	6.53	-43.56
O=C(C1CCS(=O)(=O)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211006	0	42	-1.0	-55.41	319.85	1.83	-53.58
O=C(C1CCS(=O)(=O)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211006	1	42	-1.0	-55.40	319.90	1.83	-53.57
CC(C)N1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211007	0	42	-1.0	-53.14	321.53	5.14	-48.00
CC(C)N1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211007	1	42	-1.0	-53.14	321.48	5.13	-48.01
CS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211008	0	39	-1.0	-57.29	323.32	1.32	-55.97
CS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020211008	1	39	-1.0	-57.28	323.37	1.33	-55.95
CC(CC1CCCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211009	0	51	-1.0	-49.25	357.74	7.84	-41.41
CC(CC1CCCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211009	1	51	-1.0	-49.30	357.79	7.85	-41.45
CC1=CC=C2NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C1C	REAL300020211010	0	46	-1.0	-49.62	347.95	6.93	-42.69
CC1=CC=C2NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C1C	REAL300020211010	1	46	-1.0	-49.59	348.01	6.94	-42.65
CC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=CC(F)=C1	REAL300020211011	0	43	-1.0	-47.52	341.00	6.39	-41.13
CC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=CC(F)=C1	REAL300020211011	1	43	-1.0	-47.90	341.30	6.34	-41.56
CC1=CC=C(OCC2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=N1	REAL300020211012	0	52	-1.0	-53.49	410.02	7.65	-45.84
CC1=CC=C(OCC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=N1	REAL300020211012	1	52	-1.0	-53.42	410.06	7.66	-45.76
CC1CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211013	0	48	-1.0	-46.66	340.42	7.42	-39.24
CC1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211013	1	48	-1.0	-46.63	340.45	7.43	-39.20
CC1=NOC(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211014	0	41	-1.0	-58.77	329.32	2.20	-56.57
CC1=NOC(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211014	1	41	-1.0	-58.80	329.37	2.22	-56.58
CC(CC1CCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211015	0	48	-1.0	-48.59	342.91	7.13	-41.46
CC(CC1CCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211015	1	48	-1.0	-48.56	342.97	7.15	-41.41
CCC(CC1CCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211016	0	51	-1.0	-49.49	358.72	7.75	-41.74
CCC(CC1CCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211016	1	51	-1.0	-49.49	358.79	7.75	-41.74
O=C(C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211017	0	46	-1.0	-47.53	381.24	7.09	-40.44
O=C(C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211017	1	46	-1.0	-47.51	381.27	7.11	-40.40
O=C(CCC1CCCCO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211018	0	46	-1.0	-46.74	343.93	5.02	-41.72
O=C(CCC1CCCCO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211018	1	46	-1.0	-46.80	343.99	5.04	-41.76
CCC(OC1CCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211019	0	49	-1.0	-50.44	358.01	6.35	-44.09
CCC(OC1CCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211019	1	49	-1.0	-50.37	358.08	6.37	-44.00
CC(OC1CCCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211020	0	49	-1.0	-52.65	350.89	6.54	-46.11
CC(OC1CCCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211020	1	49	-1.0	-52.65	350.94	6.55	-46.10
O=C(C1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211021	0	50	-1.0	-54.47	399.94	8.90	-45.57
O=C(C1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211021	1	50	-1.0	-54.47	399.98	8.91	-45.56
N#CCOC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211022	0	44	-1.0	-49.11	353.54	6.46	-42.65
N#CCOC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211022	1	44	-1.0	-49.09	353.60	6.47	-42.62
CCCCCCC(CC)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211023	0	53	-1.0	-48.72	380.38	8.03	-40.69
CCCCCCC(CC)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211023	1	53	-1.0	-48.72	380.41	8.05	-40.67
O=C(CN1C(=O)CCC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211024	0	47	-1.0	-54.23	362.05	6.82	-47.41
O=C(CN1C(=O)CCC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211024	1	47	-1.0	-54.20	362.11	6.83	-47.37
O=C(C1CC1C1=CC=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211025	0	49	-1.0	-50.86	369.50	9.39	-41.47
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N#CC1=CC=CC(OCCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211026	0	50	-1.0	-48.50	396.81	8.01	-40.49
N#CC1=CC=CC(OCCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211026	1	50	-1.0	-48.52	396.85	8.01	-40.51
CC(C)C1=NOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211027	0	41	-1.0	-44.80	317.05	4.86	-39.94
CC(C)C1=NOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211027	1	41	-1.0	-44.79	317.10	4.88	-39.91
COC1=CC=C(C(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211028	0	46	-1.0	-49.94	345.14	6.12	-43.82
COC1=CC=C(C(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211028	1	46	-1.0	-49.89	345.13	6.13	-43.76
O=C(CC1(O)CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211029	0	46	-1.0	-48.22	327.41	4.22	-44.00
O=C(CC1(O)CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211029	1	46	-1.0	-48.21	327.46	4.24	-43.97
CCC(SC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211030	0	46	-1.0	-47.41	361.58	7.73	-39.68
CCC(SC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211030	1	46	-1.0	-47.36	361.64	7.75	-39.61
CN(C)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020211031	0	43	-1.0	-49.52	331.64	5.28	-44.24
CN(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020211031	1	43	-1.0	-49.51	331.59	5.27	-44.24
CS(=O)(=O)NC1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211032	0	47	-1.0	-50.61	377.37	2.84	-47.77
CS(=O)(=O)NC1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211032	1	47	-1.0	-50.66	377.44	2.85	-47.81
CC(OC1CCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211033	0	46	-1.0	-50.63	343.36	5.79	-44.84
CC(OC1CCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211033	1	46	-1.0	-50.58	343.42	5.81	-44.77
O=C(CC1=NOC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211034	0	45	-1.0	-56.45	362.20	7.23	-49.22
O=C(CC1=NOC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211034	1	45	-1.0	-56.45	362.13	7.21	-49.24
O=C(C1CC12CCOC1=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211035	0	48	-1.0	-45.31	348.26	6.73	-38.58
O=C(C1CC12CCOC1=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211035	1	48	-1.0	-45.32	348.32	6.73	-38.59
O=C(C1=CN(C2CCCCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211036	0	49	-1.0	-49.30	363.89	6.09	-43.21
O=C(C1=CN(C2CCCCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211036	1	49	-1.0	-49.30	363.85	6.08	-43.22
CNC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211037	0	43	-1.0	-58.17	336.58	3.65	-54.52
CNC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211037	1	43	-1.0	-58.19	336.61	3.66	-54.53
CC1=CC=CC(Cl)=C1OCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211038	0	43	-1.0	-53.41	352.24	7.49	-45.92
CC1=CC=CC(Cl)=C1OCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211038	1	43	-1.0	-53.39	352.29	7.51	-45.88
CC1=C(C)N(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)S1	REAL300020211039	0	45	-1.0	-57.60	355.22	5.62	-51.98
CC1=C(C)N(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)S1	REAL300020211039	1	45	-1.0	-57.60	355.26	5.63	-51.97
O=C(C1CC1C1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211040	0	43	-1.0	-46.11	367.74	8.50	-37.61
O=C(C1CC1C1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211040	1	43	-1.0	-46.09	367.80	8.51	-37.58
O=C(CCC1=CC(Cl)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211041	0	39	-1.0	-45.18	336.22	6.46	-38.72
O=C(CCC1=CC(Cl)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211041	1	39	-1.0	-45.21	336.29	6.47	-38.74
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211042	0	55	-1.0	-54.32	413.28	7.81	-46.51
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211042	1	55	-1.0	-54.35	413.34	7.84	-46.51
CC(C)=CCOC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211043	0	50	-1.0	-50.89	383.10	7.60	-43.29
CC(C)=CCOC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211043	1	50	-1.0	-50.90	383.14	7.62	-43.28
O=C(C1=CC=CC(OC2=NC=CS2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211044	0	43	-1.0	-52.87	355.82	4.16	-48.71
O=C(C1=CC=CC(OC2=NC=CS2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211044	1	43	-1.0	-52.83	355.78	4.14	-48.69
O=C(C1=CC=CC(OC2=CN=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211045	0	45	-1.0	-52.13	361.74	3.85	-48.28
O=C(C1=CC=CC(OC2=CN=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211045	1	45	-1.0	-52.10	361.71	3.83	-48.27
O=C(CC1=CNC2=CC=C(F)C=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211046	0	43	-1.0	-49.81	341.67	6.62	-43.19
O=C(CC1=CNC2=CC=C(F)C=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211046	1	43	-1.0	-49.77	341.73	6.63	-43.14
CC(OC1=CC=CC(Br)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211047	0	43	-1.0	-50.83	347.13	7.04	-43.79
CC(OC1=CC=CC(Br)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211047	1	43	-1.0	-50.77	347.18	7.04	-43.73
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020211048	0	42	-1.0	-45.83	320.69	6.85	-38.98
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020211048	1	42	-1.0	-45.81	320.71	6.87	-38.94
O=C(CCN1C(=O)CCC2=CC(F)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211049	0	50	-1.0	-51.86	385.88	7.71	-44.15
O=C(CCN1C(=O)CCC2=CC(F)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211049	1	50	-1.0	-51.84	385.93	7.73	-44.11
O=C(C1=CNC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211050	0	34	-1.0	-47.94	285.87	3.52	-44.42
O=C(C1=CNC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211050	1	34	-1.0	-47.89	285.92	3.54	-44.35
CCC1=NC(COC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=NO1	REAL300020211051	0	51	-1.0	-53.07	402.38	4.88	-48.19
CCC1=NC(COC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=NO1	REAL300020211051	1	51	-1.0	-53.05	402.38	4.91	-48.14
O=C(CC1OCCC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211052	0	47	-1.0	-49.98	355.40	6.97	-43.01
O=C(CC1OCCC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211052	1	47	-1.0	-49.99	355.47	6.98	-43.01
CN1CCC(=O)NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020211053	0	49	-1.0	-60.00	365.09	2.88	-57.12
CN1CCC(=O)NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020211053	1	49	-1.0	-60.02	365.16	2.90	-57.12
O=C(C1=CC(N2CCNC2=O)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020211054	0	46	-1.0	-51.62	366.95	4.60	-47.02
O=C(C1=CC(N2CCNC2=O)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020211054	1	46	-1.0	-51.64	366.98	4.60	-47.04
O=C(CC(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211055	0	55	-1.0	-51.34	421.04	10.81	-40.53
O=C(CC(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211055	1	55	-1.0	-51.37	421.10	10.83	-40.54
COCCOCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020211056	0	50	-1.0	-51.60	394.35	5.54	-46.06
COCCOCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020211056	1	50	-1.0	-51.61	394.38	5.56	-46.05
O=C(C1=CC=CC(N2C=CC=N2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211057	0	42	-1.0	-49.40	333.38	6.71	-42.69
O=C(C1=CC=CC(N2C=CC=N2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211057	1	42	-1.0	-49.38	333.30	6.70	-42.68
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CS1	REAL300020211058	0	39	-1.0	-48.17	305.93	5.92	-42.25
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CS1	REAL300020211058	1	39	-1.0	-48.22	305.98	5.94	-42.28
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CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020211075	1	48	-1.0	-45.04	373.62	8.80	-36.24
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CCCCSCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211096	0	45	-1.0	-46.36	352.46	7.22	-39.14
CCCCSCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211096	1	45	-1.0	-46.37	352.51	7.23	-39.14
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O=C(C=CC1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211099	1	46	-1.0	-48.48	338.93	7.33	-41.15
CC(=O)N[C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(N)=O	REAL300020211100	0	43	-1.0	-58.15	342.83	-1.22	-59.37
CC(=O)N[C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(N)=O	REAL300020211100	1	43	-1.0	-58.15	342.90	-1.21	-59.36
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CC(OC1=CC=CN=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211108	0	42	-1.0	-55.08	321.87	4.65	-50.43
CC(OC1=CC=CN=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211108	1	42	-1.0	-55.14	322.00	4.66	-50.48
CC1CCC(=CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211109	0	46	-1.0	-48.32	332.89	7.22	-41.10
CC1CCC(=CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211109	1	46	-1.0	-48.30	332.93	7.23	-41.07
CC1=CSC(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020211110	0	45	-1.0	-49.60	368.58	7.04	-42.56
CC1=CSC(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020211110	1	45	-1.0	-49.61	368.53	7.02	-42.59
O=C(CNC(C1=CC=CC=C1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211111	0	47	-1.0	-48.42	378.15	5.31	-43.11
O=C(CNC(C1=CC=CC=C1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211111	1	47	-1.0	-48.42	378.21	5.34	-43.08
NS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=C1CCC2	REAL300020211112	0	48	-1.0	-55.00	378.86	2.26	-52.74
NS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=C1CCC2	REAL300020211112	1	48	-1.0	-55.00	378.89	2.27	-52.73
O=C(CN1CCN(C2=CC=CC=N2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211113	0	52	-1.0	-50.05	388.60	3.85	-46.20
O=C(CN1CCN(C2=CC=CC=N2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211113	1	52	-1.0	-50.04	388.67	3.86	-46.18
CCOC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020211114	0	42	-1.0	-48.15	328.93	3.04	-45.11
CCOC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020211114	1	42	-1.0	-48.16	328.89	3.03	-45.13
CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211115	0	55	-1.0	-49.97	391.13	4.38	-45.59
CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211115	1	55	-1.0	-49.96	391.21	4.39	-45.57
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020211116	0	45	-1.0	-48.38	357.12	6.52	-41.86
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020211116	1	45	-1.0	-48.42	357.17	6.53	-41.89
O=C(C1=CC(=O)NC2=CC(F)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211117	0	42	-1.0	-43.21	338.50	4.96	-38.25
O=C(C1=CC(=O)NC2=CC(F)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211117	1	42	-1.0	-43.22	338.55	4.98	-38.24
CC1=NC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211118	0	37	-1.0	-47.85	306.65	4.36	-43.49
CC1=NC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211118	1	37	-1.0	-47.78	306.69	4.38	-43.40
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC2=C1C(=O)NC(=O)N2	REAL300020211119	0	44	-1.0	-45.30	344.84	2.35	-42.95
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC2=C1C(=O)NC(=O)N2	REAL300020211119	1	44	-1.0	-45.32	344.89	2.38	-42.94
CC(C)C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC(F)=C1	REAL300020211120	0	51	-1.0	-60.59	398.56	8.52	-52.07
CC(C)C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC(F)=C1	REAL300020211120	1	51	-1.0	-60.60	398.63	8.53	-52.07
O=C(C1=CC=NC(N2CCCCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211121	0	49	-1.0	-48.26	363.04	7.05	-41.21
O=C(C1=CC=NC(N2CCCCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211121	1	49	-1.0	-48.25	362.98	7.03	-41.22
CC1=NOC(C)=C1CC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211122	0	47	-1.0	-45.80	349.90	6.12	-39.68
CC1=NOC(C)=C1CC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211122	1	47	-1.0	-45.79	349.94	6.13	-39.66
CC1=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2C=C1	REAL300020211123	0	44	-1.0	-60.14	339.13	6.55	-53.59
CC1=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2C=C1	REAL300020211123	1	44	-1.0	-60.16	339.16	6.55	-53.61
CC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C2C=CC=CN12	REAL300020211124	0	42	-1.0	-58.57	325.13	7.38	-51.19
CC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C2C=CC=CN12	REAL300020211124	1	42	-1.0	-58.54	325.18	7.39	-51.15
O=C(C1CC2=CC(F)=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211125	0	41	-1.0	-52.35	320.02	6.27	-46.08
O=C(C1CC2=CC(F)=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211125	1	41	-1.0	-52.38	320.07	6.28	-46.10
C[NH+](C)CC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211126	0	48	0.0	-75.32	360.60	7.44	-67.88
C[NH+](C)CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211126	1	48	0.0	-75.35	360.64	7.46	-67.89
CC[NH+]1CCN(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211127	0	53	0.0	-69.64	381.07	4.59	-65.05
CC[NH+]1CCN(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211127	1	53	0.0	-69.66	381.14	4.61	-65.05
CC1=CC=C(N2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2)N=C1	REAL300020211128	0	53	-1.0	-52.12	389.49	6.73	-45.39
CC1=CC=C(N2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2)N=C1	REAL300020211128	1	53	-1.0	-52.13	389.54	6.74	-45.39
COCCNS(=O)(=O)C1=CNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211129	0	49	-1.0	-62.90	398.13	-0.26	-63.16
COCCNS(=O)(=O)C1=CNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211129	1	49	-1.0	-62.93	398.21	-0.26	-63.19
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211130	0	48	-1.0	-60.56	384.73	1.30	-59.26
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211130	1	48	-1.0	-60.53	384.80	1.30	-59.23
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211131	0	45	-1.0	-56.54	375.74	-3.04	-59.58
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020211131	1	45	-1.0	-56.53	375.80	-3.04	-59.57
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211131	1	44	-2.0	-99.65	374.52	-3.44	-103.09
O=C(C1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211132	0	49	-1.0	-57.82	382.15	4.53	-53.29
O=C(C1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211132	1	49	-1.0	-57.80	382.19	4.54	-53.26
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(C2=CC=CC=C2F)O1	REAL300020211133	0	45	-1.0	-51.27	357.45	6.26	-45.01
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(C2=CC=CC=C2F)O1	REAL300020211133	1	45	-1.0	-51.28	357.40	6.26	-45.02
CC(CCC1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211134	0	48	-1.0	-52.50	365.78	8.34	-44.16
CC(CCC1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211134	1	48	-1.0	-52.53	365.84	8.36	-44.17
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC(=O)NC1=O	REAL300020211135	0	38	-1.0	-37.94	305.35	-1.82	-39.76
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC(=O)NC1=O	REAL300020211135	1	38	-1.0	-37.99	305.40	-1.82	-39.81
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211136	0	54	-1.0	-51.28	410.56	5.59	-45.69
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211136	1	54	-1.0	-51.28	410.62	5.61	-45.67
COC(=O)C1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211137	0	48	-1.0	-52.44	349.09	6.15	-46.29
COC(=O)C1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211137	1	48	-1.0	-52.43	349.13	6.15	-46.28
CC1=CC=C(N2[N-]C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=O)C=C1	REAL300020211138	0	46	-2.0	-111.01	363.84	6.31	-104.70
CC1=CC=C(N2[N-]C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=O)C=C1	REAL300020211138	1	46	-2.0	-110.99	363.89	6.32	-104.67
O=C(C1=NOC(C2=CC=CC(F)=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211139	0	41	-1.0	-50.48	337.22	4.63	-45.85
O=C(C1=NOC(C2=CC=CC(F)=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211139	1	41	-1.0	-50.50	337.16	4.60	-45.90
O=C(C1=C(Cl)C=C2NC(=O)CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211140	0	41	-1.0	-52.70	328.26	4.26	-48.44
O=C(C1=C(Cl)C=C2NC(=O)CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211140	1	41	-1.0	-52.70	328.27	4.29	-48.41
CSC1=CC=C(OC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211141	0	47	-1.0	-52.73	366.26	7.40	-45.33
CSC1=CC=C(OC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211141	1	47	-1.0	-52.72	366.31	7.40	-45.32
CCCNC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211142	0	49	-1.0	-57.38	379.56	5.26	-52.12
CCCNC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211142	1	49	-1.0	-57.39	379.60	5.27	-52.12
CC1=NN=C(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)O1	REAL300020211143	0	44	-1.0	-54.85	355.19	2.20	-52.65
CC1=NN=C(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)O1	REAL300020211143	1	44	-1.0	-54.83	355.23	2.20	-52.63
O=C(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211144	0	45	-1.0	-55.03	376.71	4.38	-50.65
O=C(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211144	1	45	-1.0	-55.01	376.76	4.38	-50.63
O=C(CCCOC1=CC=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211145	0	45	-1.0	-53.26	349.57	5.12	-48.14
O=C(CCCOC1=CC=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211145	1	45	-1.0	-53.23	349.52	5.11	-48.12
CCC1=CC=C(C(C)CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211146	0	51	-1.0	-46.76	380.21	9.24	-37.52
CCC1=CC=C(C(C)CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211146	1	51	-1.0	-46.82	380.24	9.26	-37.56
CCC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL300020211147	0	51	-1.0	-43.27	379.07	8.68	-34.59
CCC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL300020211147	1	51	-1.0	-43.26	379.12	8.68	-34.58
O=C(C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1)N1CCCC1	REAL300020211148	0	49	-1.0	-47.39	377.72	5.66	-41.73
O=C(C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1)N1CCCC1	REAL300020211148	1	49	-1.0	-47.44	377.67	5.66	-41.78
O=C(C1=CC=NC(OCC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211149	0	42	-1.0	-47.85	348.50	3.50	-44.35
O=C(C1=CC=NC(OCC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211149	1	42	-1.0	-47.82	348.46	3.50	-44.32
CC(C)CNC(=O)N1CCCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211150	0	60	-1.0	-64.07	438.22	6.53	-57.54
CC(C)CNC(=O)N1CCCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211150	1	60	-1.0	-64.06	438.28	6.55	-57.51
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCCC3CC3=N[N-]N=N3)CC2)=C1	REAL300020211151	0	60	0.0	-73.10	437.75	7.84	-65.26
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCCC3CC3=NN=N[N-]3)CC2)=C1	REAL300020211151	1	60	0.0	-73.13	437.81	7.86	-65.27
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211152	0	57	0.0	-73.07	416.34	7.18	-65.89
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211152	1	57	0.0	-73.09	416.40	7.19	-65.90
CC[NH+](CC)CCSCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211153	0	51	0.0	-63.73	380.64	7.51	-56.22
CC[NH+](CC)CCSCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211153	1	51	0.0	-63.75	380.69	7.53	-56.22
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211154	0	56	0.0	-61.98	409.40	7.00	-54.98
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211154	1	56	0.0	-61.98	409.45	7.01	-54.97
O=C(CCN1CCN(C2=CC=CC=N2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211154	1	55	-1.0	-49.80	410.44	4.40	-45.40
O=C(CCN1CCN(C2=CC=CC=N2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211154	1	55	-1.0	-49.79	410.50	4.42	-45.37
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)CC1	REAL300020211155	0	57	0.0	-75.31	419.28	6.88	-68.43
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)CC1	REAL300020211155	1	57	0.0	-75.32	419.33	6.89	-68.43
CC1=C2NC=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=CC=C1	REAL300020211156	0	46	-1.0	-51.07	356.42	7.20	-43.87
CC1=C2NC=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=CC=C1	REAL300020211156	1	46	-1.0	-51.06	356.46	7.21	-43.85
O=C(C1=CC(N2CCNC2=O)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211157	0	46	-1.0	-53.61	358.39	4.17	-49.44
O=C(C1=CC(N2CCNC2=O)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211157	1	46	-1.0	-53.61	358.43	4.19	-49.42
CCC(=CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(C)C=C1	REAL300020211158	0	49	-1.0	-45.82	363.87	9.14	-36.68
CCC(=CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(C)C=C1	REAL300020211158	1	49	-1.0	-45.80	363.92	9.15	-36.65
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211159	0	38	-2.0	-93.20	320.62	2.70	-90.50
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211159	1	38	-2.0	-93.24	320.66	2.71	-90.53
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020211160	0	38	-1.0	-46.87	300.58	1.28	-45.59
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020211160	1	38	-1.0	-46.89	300.53	1.27	-45.62
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Br)=C1C=O	REAL300020211161	0	39	-1.0	-48.39	321.24	5.00	-43.39
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Br)=C1C=O	REAL300020211161	1	39	-1.0	-48.41	321.29	5.00	-43.41
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211162	0	56	0.0	-60.31	374.53	6.11	-54.20
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211162	1	56	0.0	-60.37	374.56	6.13	-54.24
CC(=O)NC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020211163	0	49	-1.0	-45.56	388.42	5.29	-40.27
CC(=O)NC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020211163	1	49	-1.0	-45.60	388.48	5.31	-40.29
O=C(C1CN(CC2=CC=CC=C2)CCO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211164	0	52	-1.0	-53.44	381.99	5.09	-48.35
O=C(C1CN(CC2=CC=CC=C2)CCO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211164	1	52	-1.0	-53.43	382.04	5.11	-48.32
CC(C)CCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020211165	0	47	-1.0	-46.90	358.97	5.20	-41.70
CC(C)CCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020211165	1	47	-1.0	-46.89	358.91	5.19	-41.70
O=C(CCN1C(=O)CCC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211166	0	50	-1.0	-58.10	379.28	7.59	-50.51
O=C(CCN1C(=O)CCC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211166	1	50	-1.0	-58.10	379.33	7.59	-50.51
CCC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211167	0	45	-1.0	-48.65	345.72	7.89	-40.76
CCC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211167	1	45	-1.0	-48.67	345.77	7.90	-40.77
CC(C)C1=CC=C(N2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=O)C=C1	REAL300020211168	0	56	-1.0	-54.97	411.31	8.51	-46.46
CC(C)C1=CC=C(N2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=O)C=C1	REAL300020211168	1	56	-1.0	-54.98	411.36	8.51	-46.47
O=C(C1=CC=CC(NC2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211169	0	48	-1.0	-51.23	371.86	7.71	-43.52
O=C(C1=CC=CC(NC2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211169	1	48	-1.0	-51.24	371.91	7.72	-43.52
O=C(CN(CC1=CC=CN=C1)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211170	0	53	-1.0	-50.81	410.49	8.24	-42.57
O=C(CN(CC1=CC=CN=C1)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211170	1	53	-1.0	-50.77	410.43	8.21	-42.56
CC(C)CNC(=O)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211171	0	57	-1.0	-49.95	411.35	5.86	-44.09
CC(C)CNC(=O)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211171	1	57	-1.0	-49.95	411.40	5.88	-44.07
CCN1[N-]C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020211172	0	39	-2.0	-104.97	310.24	3.05	-101.92
CCN1[N-]C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020211172	1	39	-2.0	-104.99	310.30	3.05	-101.94
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020211173	0	57	0.0	-75.57	414.25	6.45	-69.12
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020211173	1	57	0.0	-75.48	414.24	6.48	-69.00
O=C(C(O)C1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211174	0	44	-1.0	-45.22	321.42	1.32	-43.90
O=C(C(O)C1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211174	1	44	-1.0	-45.23	321.47	1.32	-43.91
CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)[NH+](CC)CC	REAL300020211175	0	50	0.0	-51.73	336.00	6.40	-45.33
CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)[NH+](CC)CC	REAL300020211175	1	50	0.0	-51.76	336.05	6.41	-45.35
O=C(C1=CC(N2CCOC2=O)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211176	0	45	-1.0	-66.01	351.99	5.46	-60.55
O=C(C1=CC(N2CCOC2=O)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211176	1	45	-1.0	-65.99	352.00	5.48	-60.51
CC1=C2NC=C(CCC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=CC=C1	REAL300020211177	0	49	-1.0	-48.91	382.25	7.56	-41.35
CC1=C2NC=C(CCC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=CC=C1	REAL300020211177	1	49	-1.0	-48.93	382.32	7.56	-41.37
CN1CCN(C2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)CC1	REAL300020211178	0	49	-1.0	-48.31	376.20	2.48	-45.83
CN1CCN(C2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)CC1	REAL300020211178	1	49	-1.0	-48.35	376.24	2.49	-45.86
CC(C)(C)C(=O)NCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211179	0	55	-1.0	-49.84	419.07	6.38	-43.46
CC(C)(C)C(=O)NCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211179	1	55	-1.0	-49.87	419.07	6.39	-43.48
CCCCCCCCOCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211180	0	54	-1.0	-51.25	406.65	8.22	-43.03
CCCCCCCCOCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211180	1	54	-1.0	-51.31	406.70	8.22	-43.09
O=C(C1CCCCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211181	0	48	-1.0	-50.55	323.01	6.40	-44.15
O=C(C1CCCCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211181	1	48	-1.0	-49.19	322.61	6.68	-42.51
CCS(=O)(=O)NCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211182	0	50	-1.0	-59.20	399.54	3.03	-56.17
CCS(=O)(=O)NCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211182	1	50	-1.0	-59.17	399.55	3.05	-56.12
CC1=CC(F)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211183	0	39	-1.0	-47.77	305.14	6.07	-41.70
CC1=CC(F)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211183	1	39	-1.0	-47.80	305.18	6.07	-41.73
O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020211184	0	47	-1.0	-59.90	368.57	5.94	-53.96
O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020211184	1	47	-1.0	-59.93	368.62	5.94	-53.99
O=C(C1=CC=C(F)C(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211185	0	36	-1.0	-46.44	309.26	6.21	-40.23
O=C(C1=CC=C(F)C(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211185	1	36	-1.0	-46.43	309.29	6.22	-40.21
O=C(COC1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211186	0	40	-1.0	-49.20	345.48	7.09	-42.11
O=C(COC1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211186	1	40	-1.0	-49.16	345.53	7.09	-42.07
CC1=NC(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=CS1	REAL300020211187	0	45	-1.0	-54.67	366.79	6.98	-47.69
CC1=NC(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=CS1	REAL300020211187	1	45	-1.0	-54.66	366.75	6.97	-47.69
O=C(CCN1C(=O)C2C3CCC(O3)C2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211188	0	51	-1.0	-57.94	388.13	4.23	-53.71
O=C(CCN1C(=O)C2C3CCC(O3)C2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211188	1	51	-1.0	-57.93	388.18	4.24	-53.69
CC1CCC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211189	0	46	-1.0	-46.67	347.09	4.97	-41.70
CC1CCC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020211189	1	46	-1.0	-46.71	347.15	4.99	-41.72
O=C(NC1CCCC1)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211190	0	58	-1.0	-53.26	417.90	6.58	-46.68
O=C(NC1CCCC1)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211190	1	58	-1.0	-53.28	417.96	6.59	-46.69
O=C(C1=CN(CC2=CC=CC=N2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211191	0	44	-1.0	-51.50	352.92	4.33	-47.17
O=C(C1=CN(CC2=CC=CC=N2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211191	1	44	-1.0	-51.51	352.98	4.34	-47.17
CC1=C(C)C=C2OC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C1	REAL300020211192	0	45	-1.0	-49.86	345.27	7.31	-42.55
CC1=C(C)C=C2OC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C1	REAL300020211192	1	45	-1.0	-49.91	345.32	7.31	-42.60
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(NC(C)=O)=C1OC	REAL300020211193	0	51	-1.0	-57.47	400.23	3.85	-53.62
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(NC(C)=O)=C1OC	REAL300020211193	1	51	-1.0	-57.52	400.27	3.86	-53.66
CC(CCC1=CC=CC=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211194	0	48	-1.0	-54.71	367.29	8.43	-46.28
CC(CCC1=CC=CC=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211194	1	48	-1.0	-54.67	367.35	8.44	-46.23
COCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020211195	0	39	-1.0	-49.65	309.77	3.18	-46.47
COCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020211195	1	39	-1.0	-49.75	309.82	3.18	-46.57
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL300020211196	0	45	-1.0	-45.48	349.79	7.67	-37.81
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300020211196	1	45	-1.0	-45.50	349.84	7.68	-37.82
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020211197	0	42	-1.0	-46.17	325.82	6.93	-39.24
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020211197	1	42	-1.0	-46.17	325.90	6.92	-39.25
O=C(C1CCN(C2=CC=CC(Cl)=C2)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211198	0	47	-1.0	-51.69	372.99	6.77	-44.92
O=C(C1CCN(C2=CC=CC(Cl)=C2)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211198	1	47	-1.0	-51.68	373.06	6.79	-44.89
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211199	0	46	-1.0	-50.65	379.31	7.99	-42.66
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211199	1	46	-1.0	-50.65	379.41	8.00	-42.65
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300020211200	0	42	-1.0	-53.93	330.31	6.98	-46.95
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300020211200	1	42	-1.0	-53.90	330.35	7.00	-46.90
CCCC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300020211201	0	51	-1.0	-61.06	401.67	8.95	-52.11
CCCC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300020211201	1	51	-1.0	-61.08	401.72	8.96	-52.12
CCCC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020211202	0	41	-1.0	-48.88	326.42	4.85	-44.03
CCCC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020211202	1	41	-1.0	-48.87	326.47	4.85	-44.02
CC(C)(C)C(=O)N1CCOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211203	0	53	-1.0	-52.97	379.03	4.59	-48.38
CC(C)(C)C(=O)N1CCOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211203	1	53	-1.0	-52.95	379.09	4.60	-48.35
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020211204	0	42	-1.0	-45.90	331.01	7.29	-38.61
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020211204	1	42	-1.0	-45.91	331.04	7.31	-38.60
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)O2)C=C1	REAL300020211205	0	55	-1.0	-49.07	415.61	9.81	-39.26
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)O2)C=C1	REAL300020211205	1	55	-1.0	-49.01	415.66	9.81	-39.20
CCC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)O2)C=C1	REAL300020211206	0	49	-1.0	-49.40	382.37	8.93	-40.47
CCC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)O2)C=C1	REAL300020211206	1	49	-1.0	-49.44	382.42	8.94	-40.50
O=C(C1=CC=C(OC2CCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211207	0	47	-1.0	-48.27	357.34	6.97	-41.30
O=C(C1=CC=C(OC2CCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211207	1	47	-1.0	-48.23	357.37	6.96	-41.27
O=C(C1=CC=NC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020211208	0	35	-1.0	-50.17	282.02	4.06	-46.11
O=C(C1=CC=NC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020211208	1	35	-1.0	-50.16	281.98	4.03	-46.13
CC1=CC=C(Br)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211209	0	39	-1.0	-40.00	321.81	7.08	-32.92
CC1=CC=C(Br)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211209	1	39	-1.0	-40.00	321.87	7.08	-32.92
CN1C=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020211210	0	47	-1.0	-57.52	366.76	8.68	-48.84
CN1C=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020211210	1	47	-1.0	-57.54	366.80	8.70	-48.84
O=C(C1=CN=C2C=CSC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211211	0	38	-1.0	-49.21	313.83	4.97	-44.24
O=C(C1=CN=C2C=CSC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211211	1	38	-1.0	-49.20	313.79	4.96	-44.24
O=C(CCC1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211212	0	46	-1.0	-50.03	336.41	5.03	-45.00
O=C(CCC1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211212	1	46	-1.0	-50.07	336.47	5.04	-45.03
CC1=CC=C(C(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211213	0	42	-1.0	-53.59	322.46	6.26	-47.33
CC1=CC=C(C(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020211213	1	42	-1.0	-53.59	322.55	6.27	-47.32
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211214	0	46	-1.0	-58.16	376.28	-0.17	-58.33
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211214	1	46	-1.0	-58.13	376.28	-0.15	-58.28
O=C(C1=CC(C2=CC=CC=N2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211215	0	41	-1.0	-50.04	331.01	4.84	-45.20
O=C(C1=CC(C2=CC=CC=N2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211215	1	41	-1.0	-50.07	331.07	4.86	-45.21
CC(C)(C)C(=O)CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020211216	0	49	-1.0	-56.04	377.96	5.05	-50.99
CC(C)(C)C(=O)CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020211216	1	49	-1.0	-56.09	377.90	5.04	-51.05
NC(=O)C1=CC(S(=O)(=O)NCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1	REAL300020211217	0	46	-1.0	-65.81	381.25	-3.34	-69.15
NC(=O)C1=CC(S(=O)(=O)NCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1	REAL300020211217	1	46	-1.0	-65.85	381.30	-3.33	-69.18
O=C(C1CCSC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211218	0	44	-1.0	-48.87	338.64	7.57	-41.30
O=C(C1CCSC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211218	1	44	-1.0	-48.87	338.69	7.57	-41.30
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211219	0	46	-1.0	-57.04	371.35	7.42	-49.62
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211219	1	46	-1.0	-57.02	371.41	7.43	-49.59
O=C(C1=CC=CC(F)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020211220	0	36	-1.0	-50.01	297.81	5.83	-44.18
O=C(C1=CC=CC(F)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020211220	1	36	-1.0	-49.99	297.80	5.85	-44.14
CN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020211221	0	46	-1.0	-58.20	358.32	7.33	-50.87
CN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020211221	1	46	-1.0	-58.17	358.36	7.34	-50.83
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL300020211222	0	47	-1.0	-44.37	361.73	8.23	-36.14
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL300020211222	1	47	-1.0	-44.38	361.77	8.23	-36.15
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1C=NC=N1	REAL300020211223	0	45	-1.0	-50.59	353.71	8.90	-41.69
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1C=NC=N1	REAL300020211223	1	45	-1.0	-50.59	353.68	8.90	-41.69
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211224	0	45	-1.0	-51.11	351.10	8.59	-42.52
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211224	1	45	-1.0	-51.13	351.05	8.58	-42.55
CC1=NC(SCC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1	REAL300020211225	0	39	-1.0	-51.54	326.46	3.62	-47.92
CC1=NC(SCC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1	REAL300020211225	1	39	-1.0	-51.55	326.53	3.63	-47.92
O=C(CCCC1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211226	0	48	-1.0	-47.09	355.16	7.26	-39.83
O=C(CCCC1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211226	1	48	-1.0	-47.09	355.22	7.28	-39.81
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020211227	0	47	-1.0	-56.31	372.11	5.91	-50.40
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1N=NC(C2=CC=CC=C2)=N1	REAL300020211227	1	47	-1.0	-56.30	372.16	5.92	-50.38
O=C(C1=CC(C2CC2)=NC2=CC=C(F)C=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211228	0	48	-1.0	-43.48	377.90	8.28	-35.20
O=C(C1=CC(C2CC2)=NC2=CC=C(F)C=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211228	1	48	-1.0	-43.50	377.94	8.29	-35.21
O=C(C1CC12CCC1=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211229	0	47	-1.0	-45.40	360.30	8.37	-37.03
O=C(C1CC12CCC1=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211229	1	47	-1.0	-45.42	360.36	8.39	-37.03
COCCCOC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211230	0	50	-1.0	-52.45	386.50	5.47	-46.98
COCCCOC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211230	1	50	-1.0	-52.45	386.53	5.46	-46.99
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1CC1	REAL300020211231	0	43	-1.0	-54.65	331.41	5.85	-48.80
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1CC1	REAL300020211231	1	43	-1.0	-54.65	331.46	5.86	-48.79
CC1=NN(C)C(C)=C1CC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211232	0	51	-1.0	-50.18	372.99	6.09	-44.09
CC1=NN(C)C(C)=C1CC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211232	1	51	-1.0	-50.18	373.05	6.10	-44.08
O=C(C1=CC2=CC=CC(F)=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211233	0	39	-1.0	-49.32	313.43	6.17	-43.15
O=C(C1=CC2=CC=CC(F)=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211233	1	39	-1.0	-49.34	313.48	6.17	-43.17
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1NC(=O)CC(C)C	REAL300020211234	0	55	-1.0	-56.45	412.28	7.33	-49.12
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1NC(=O)CC(C)C	REAL300020211234	1	55	-1.0	-56.43	412.31	7.33	-49.10
CC1=CC=CC(C)=C1NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211235	0	47	-1.0	-46.32	351.57	6.04	-40.28
CC1=CC=CC(C)=C1NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211235	1	47	-1.0	-46.32	351.62	6.03	-40.29
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1OC(F)F	REAL300020211236	0	48	-1.0	-51.20	381.65	4.93	-46.27
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1OC(F)F	REAL300020211236	1	48	-1.0	-51.23	381.70	4.95	-46.28
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211237	0	53	-1.0	-59.32	390.04	7.24	-52.08
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211237	1	53	-1.0	-59.33	390.08	7.25	-52.08
O=C(C1=CC=C(OC2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211238	0	51	-1.0	-50.86	378.91	5.61	-45.25
O=C(C1=CC=C(OC2CCOCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211238	1	51	-1.0	-50.88	378.96	5.62	-45.26
CCCCCCC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211239	0	50	-1.0	-48.57	363.54	7.73	-40.84
CCCCCCC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211239	1	50	-1.0	-48.64	363.59	7.73	-40.91
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1N1CCNC1=O	REAL300020211240	0	50	-1.0	-61.75	391.32	3.95	-57.80
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1N1CCNC1=O	REAL300020211240	1	50	-1.0	-61.78	391.36	3.96	-57.82
CC(C)CC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020211241	0	52	-1.0	-51.87	400.72	6.53	-45.34
CC(C)CC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020211241	1	52	-1.0	-51.85	400.76	6.53	-45.32
O=C(C1=CNC(=O)C(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211242	0	36	-1.0	-48.12	305.26	2.95	-45.17
O=C(C1=CNC(=O)C(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211242	1	36	-1.0	-48.14	305.30	2.96	-45.18
O=C(C=CC1=CC(Br)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211243	0	37	-1.0	-47.72	323.39	6.63	-41.09
O=C(C=CC1=CC(Br)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211243	1	37	-1.0	-47.76	323.44	6.64	-41.12
O=C(C1=CC=CC(C2=CSC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211244	0	42	-1.0	-55.35	342.74	6.11	-49.24
O=C(C1=CC=CC(C2=CSC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211244	1	42	-1.0	-55.29	342.70	6.08	-49.21
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2CCCC2)=N1	REAL300020211245	0	48	-1.0	-48.78	370.12	6.55	-42.23
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2CCCC2)=N1	REAL300020211245	1	48	-1.0	-48.80	370.17	6.55	-42.25
O=C(C1CC12CCCC1=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211246	0	50	-1.0	-45.00	356.86	8.56	-36.44
O=C(C1CC12CCCC1=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211246	1	50	-1.0	-44.96	356.91	8.58	-36.38
CC(CC(=O)C1=CC=CC=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211247	0	47	-1.0	-48.64	362.63	7.52	-41.12
CC(CC(=O)C1=CC=CC=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211247	1	47	-1.0	-48.65	362.68	7.53	-41.12
CCCCCC(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211248	0	50	-1.0	-45.80	360.39	7.89	-37.91
CCCCCC(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211248	1	50	-1.0	-45.82	360.43	7.90	-37.92
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020211249	0	44	-2.0	-112.49	360.31	2.80	-109.69
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020211249	1	44	-2.0	-112.45	360.26	2.79	-109.66
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)NC(C2=CC=CO2)=N1	REAL300020211249	1	45	-1.0	-54.72	361.00	4.62	-50.10
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)NC(C2=CC=CO2)=N1	REAL300020211249	1	45	-1.0	-54.72	360.96	4.61	-50.11
O=C(C1=CC(C2=CC=CC=C2O)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211250	0	44	-1.0	-50.82	347.30	3.27	-47.55
O=C(C1=CC(C2=CC=CC=C2O)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211250	1	44	-1.0	-50.77	347.38	3.26	-47.51
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)C=C1	REAL300020211251	0	47	-2.0	-131.54	373.47	4.45	-127.09
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)C=C1	REAL300020211251	1	47	-2.0	-131.56	373.53	4.45	-127.11
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211252	0	43	-2.0	-125.67	350.06	5.24	-120.43
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211252	1	43	-2.0	-125.68	350.11	5.24	-120.44
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=O)=N1	REAL300020211253	0	47	-2.0	-119.02	379.35	6.71	-112.31
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=O)=N1	REAL300020211253	1	47	-2.0	-119.06	379.40	6.71	-112.35
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211254	0	43	-2.0	-136.31	347.28	5.25	-131.06
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211254	1	43	-2.0	-136.34	347.33	5.25	-131.09
CC1=CC(F)=CC2=C1NC=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2=O	REAL300020211255	0	45	-1.0	-49.11	348.97	5.76	-43.35
CC1=CC(F)=CC2=C1NC=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2=O	REAL300020211255	1	45	-1.0	-49.09	349.01	5.79	-43.30
COC1=CC=C(C(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020211256	0	50	-1.0	-50.90	376.32	6.06	-44.84
COC1=CC=C(C(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020211256	1	50	-1.0	-50.92	376.35	6.07	-44.85
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211257	0	50	-1.0	-51.07	389.67	6.95	-44.12
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211257	1	50	-1.0	-51.07	389.74	6.95	-44.12
CC1=CC2=C(C=C1C)OC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020211258	0	47	-1.0	-56.30	352.00	7.42	-48.88
CC1=CC2=C(C=C1C)OC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020211258	1	47	-1.0	-56.27	352.05	7.42	-48.85
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020211259	0	39	-1.0	-52.62	304.75	6.08	-46.54
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020211259	1	39	-1.0	-52.62	304.74	6.09	-46.53
NC(=O)C1=CNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211260	0	38	-1.0	-66.85	303.61	0.37	-66.48
NC(=O)C1=CNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211260	1	38	-1.0	-66.86	303.74	0.37	-66.49
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300020211261	0	40	-1.0	-48.04	315.74	4.32	-43.72
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300020211261	1	40	-1.0	-48.05	315.79	4.34	-43.71
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300020211262	0	56	-1.0	-53.04	424.26	10.76	-42.28
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300020211262	1	56	-1.0	-53.07	424.34	10.76	-42.31
O=C(C1CC1C1=CC=CC(F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211263	0	43	-1.0	-56.61	347.33	7.46	-49.15
O=C(C1CC1C1=CC=CC(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211263	1	43	-1.0	-56.58	347.39	7.49	-49.09
O=C(CCCCC1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211264	0	48	-1.0	-47.24	384.22	9.33	-37.91
O=C(CCCCC1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211264	1	48	-1.0	-47.22	384.27	9.34	-37.88
CCCOC1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211265	0	52	-1.0	-46.78	402.22	7.93	-38.85
CCCOC1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211265	1	52	-1.0	-46.79	402.28	7.94	-38.85
O=C(C1=C2NC=CC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211266	0	40	-1.0	-50.15	304.61	5.50	-44.65
O=C(C1=C2NC=CC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211266	1	40	-1.0	-50.14	304.65	5.51	-44.63
O=C(CC1=CC(F)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211267	0	39	-1.0	-48.51	315.13	6.61	-41.90
O=C(CC1=CC(F)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211267	1	39	-1.0	-48.52	315.18	6.61	-41.91
N#CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020211268	0	34	-1.0	-46.33	290.71	5.14	-41.19
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CCOC(C)C1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020211299	0	45	-1.0	-49.63	360.51	4.01	-45.62
CCOC(C)C1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020211299	1	45	-1.0	-49.68	360.94	4.01	-45.67
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211300	0	56	-1.0	-45.57	395.72	6.62	-38.95
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211300	1	56	-1.0	-45.57	395.76	6.63	-38.94
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COCCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020211301	1	46	-1.0	-49.77	364.70	2.45	-47.32
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300020211302	0	46	-1.0	-46.81	365.38	7.86	-38.95
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300020211302	1	46	-1.0	-46.83	365.44	7.87	-38.96
CCCCCCCCCCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211303	0	65	-1.0	-47.64	479.57	12.04	-35.60
CCCCCCCCCCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211303	1	65	-1.0	-47.60	479.62	12.04	-35.56
CC1=C(Br)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211304	0	39	-1.0	-38.59	319.25	7.08	-31.51
CC1=C(Br)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211304	1	39	-1.0	-38.60	319.29	7.08	-31.52
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211305	0	53	-1.0	-50.19	410.11	6.46	-43.73
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211305	1	53	-1.0	-50.09	410.11	6.48	-43.61
O=C(C1=CC(OCC2=CC=CC=C2)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211306	0	49	-1.0	-54.01	384.62	7.75	-46.26
O=C(C1=CC(OCC2=CC=CC=C2)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211306	1	49	-1.0	-54.06	384.56	7.74	-46.32
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211307	0	53	-1.0	-49.19	408.45	4.36	-44.83
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020211307	1	53	-1.0	-49.23	408.50	4.37	-44.86
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300020211308	0	39	-1.0	-48.24	330.54	6.69	-41.55
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300020211308	1	39	-1.0	-48.23	330.60	6.69	-41.54
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211309	0	47	-1.0	-46.80	371.37	4.20	-42.60
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211309	1	47	-1.0	-46.87	371.42	4.22	-42.65
CC(CCOC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211310	0	49	-1.0	-53.36	368.29	7.00	-46.36
CC(CCOC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211310	1	49	-1.0	-53.38	368.32	7.01	-46.37
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020211311	0	39	-1.0	-47.63	319.55	6.56	-41.07
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020211311	1	39	-1.0	-47.63	319.59	6.56	-41.07
O=C(C1CC12CCOCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020211312	0	44	-1.0	-50.66	323.01	4.95	-45.71
O=C(C1CC12CCOCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020211312	1	44	-1.0	-50.68	323.06	4.95	-45.73
O=C(C1CC(=O)N(C2=CNN=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211313	0	44	-1.0	-49.80	342.86	2.68	-47.12
O=C(C1CC(=O)N(C2=CNN=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211313	1	44	-1.0	-49.84	342.93	2.70	-47.14
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211314	0	55	0.0	-54.65	380.37	7.94	-46.71
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211314	1	55	0.0	-60.17	380.82	7.94	-52.23
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211314	1	55	0.0	-54.64	380.42	7.94	-46.70
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211314	1	55	0.0	-60.16	380.88	7.94	-52.22
O=C(C1=CC=CC(C(F)(F)F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211315	0	39	-1.0	-52.60	321.22	6.39	-46.21
O=C(C1=CC=CC(C(F)(F)F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211315	1	39	-1.0	-52.67	321.21	6.41	-46.26
CC1=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300020211316	0	51	-1.0	-46.17	392.86	8.86	-37.31
CC1=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300020211316	1	51	-1.0	-46.15	392.91	8.88	-37.27
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211317	0	54	-1.0	-55.08	416.88	4.96	-50.12
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211317	1	54	-1.0	-55.05	416.94	4.98	-50.07
CN1C=CN=C1CN1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211318	0	54	-1.0	-55.59	389.79	5.08	-50.51
CN1C=CN=C1CN1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211318	1	54	-1.0	-55.58	389.84	5.09	-50.49
O=C(C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211319	0	49	-1.0	-52.17	385.42	7.53	-44.64
O=C(C1=CC=C(C2=NNC(C3CC3)=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211319	1	49	-1.0	-52.27	385.41	7.55	-44.72
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCC1	REAL300020211320	0	56	-1.0	-45.18	411.72	5.75	-39.43
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1	REAL300020211320	1	56	-1.0	-45.15	411.77	5.77	-39.38
CS(=O)(=O)CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211321	0	45	-1.0	-51.32	353.20	3.18	-48.14
CS(=O)(=O)CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211321	1	45	-1.0	-51.34	353.25	3.19	-48.15
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211322	0	55	-1.0	-47.80	399.08	6.14	-41.66
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211322	1	55	-1.0	-47.81	399.14	6.14	-41.67
CC(C)OCCS(=O)(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211323	0	50	-1.0	-56.67	396.84	0.58	-56.09
CC(C)OCCS(=O)(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211323	1	50	-1.0	-56.68	396.89	0.58	-56.10
O=C(C1=CC=C(OC2=CC=CC=C2Cl)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211324	0	46	-1.0	-50.23	383.10	6.10	-44.13
O=C(C1=CC=C(OC2=CC=CC=C2Cl)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211324	1	46	-1.0	-50.25	383.07	6.09	-44.16
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020211325	0	49	-1.0	-61.96	382.10	6.42	-55.54
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020211325	1	49	-1.0	-61.98	382.16	6.44	-55.54
O=C(C1=C(F)N2C=CC=CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211326	0	39	-1.0	-57.96	311.65	6.74	-51.22
O=C(C1=C(F)N2C=CC=CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211326	1	39	-1.0	-57.92	311.60	6.74	-51.18
COC(=O)C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020211327	0	41	-1.0	-60.32	338.92	2.74	-57.58
COC(=O)C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020211327	1	41	-1.0	-60.33	338.86	2.72	-57.61
CC1C(=O)NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1C	REAL300020211328	0	49	-1.0	-58.03	361.44	2.69	-55.34
CC1C(=O)NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1C	REAL300020211328	1	49	-1.0	-58.02	361.50	2.69	-55.33
O=C(CC1CCCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211329	0	48	-1.0	-47.78	334.51	7.11	-40.67
O=C(CC1CCCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211329	1	48	-1.0	-47.80	334.56	7.12	-40.68
O=C(CSC1=N[N-]C(=S)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211330	0	35	-2.0	-88.98	324.18	3.70	-85.28
O=C(CSC1=N[N-]C(=S)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211330	1	35	-2.0	-89.00	324.23	3.70	-85.30
O=C(CSC1=NNC(=S)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211330	1	36	-1.0	-45.09	327.60	3.84	-41.25
O=C(CSC1=NNC(=S)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211330	1	36	-1.0	-45.09	327.66	3.84	-41.25
O=C(CC1=COC2=CC(F)=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211331	0	42	-1.0	-50.32	337.52	6.92	-43.40
O=C(CC1=COC2=CC(F)=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211331	1	42	-1.0	-50.34	337.57	6.94	-43.40
O=C(C1=CC=C(Br)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211332	0	35	-1.0	-45.40	296.37	4.05	-41.35
O=C(C1=CC=C(Br)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211332	1	35	-1.0	-45.42	296.34	4.04	-41.38
CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211333	0	53	-1.0	-46.17	394.52	5.66	-40.51
CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211333	1	53	-1.0	-46.23	394.57	5.67	-40.56
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(Cl)S1	REAL300020211334	0	39	-1.0	-48.26	325.91	6.59	-41.67
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL300020211334	1	39	-1.0	-48.26	325.97	6.59	-41.67
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CN(C)N=C1	REAL300020211335	0	42	-1.0	-51.39	319.66	4.60	-46.79
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CN(C)N=C1	REAL300020211335	1	42	-1.0	-51.38	319.59	4.62	-46.76
CC1=NC(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020211336	0	44	-1.0	-52.52	357.12	5.40	-47.12
CC1=NC(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020211336	1	44	-1.0	-52.51	357.18	5.41	-47.10
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211337	0	56	-1.0	-42.55	404.96	8.20	-34.35
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211337	1	56	-1.0	-42.62	405.01	8.22	-34.40
O=C(CC=CC1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211338	0	43	-1.0	-49.11	345.42	7.48	-41.63
O=C(CC=CC1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211338	1	43	-1.0	-49.09	345.49	7.49	-41.60
CC1=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C(C3CC3)N=C2C(C)=C1	REAL300020211339	0	54	-1.0	-46.50	412.98	9.69	-36.81
CC1=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C(C3CC3)N=C2C(C)=C1	REAL300020211339	1	54	-1.0	-46.52	413.02	9.72	-36.80
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C2C=NN(C)C2=N1	REAL300020211340	0	44	-1.0	-54.65	338.87	4.99	-49.66
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C2C=NN(C)C2=N1	REAL300020211340	1	44	-1.0	-54.66	338.90	4.99	-49.67
CNS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020211341	0	44	-1.0	-50.60	354.40	1.35	-49.25
CNS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020211341	1	44	-1.0	-50.70	354.44	1.37	-49.33
O=C(C1CC(OCC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211342	0	50	-1.0	-47.56	388.73	7.29	-40.27
O=C(C1CC(OCC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211342	1	50	-1.0	-47.59	388.79	7.30	-40.29
O=C(C1=CN2N=NN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211343	0	37	-1.0	-46.22	296.71	3.53	-42.69
O=C(C1=CN2N=NN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211343	1	37	-1.0	-46.24	296.66	3.51	-42.73
CCC(OC1=CC=CC=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211344	0	46	-1.0	-58.70	346.87	7.07	-51.63
CCC(OC1=CC=CC=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211344	1	46	-1.0	-58.71	346.92	7.08	-51.63
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020211345	0	42	-1.0	-50.60	349.52	7.83	-42.77
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300020211345	1	42	-1.0	-50.63	349.57	7.84	-42.79
O=C(C1=CC=C(N2C=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211346	0	43	-1.0	-47.95	338.00	7.39	-40.56
O=C(C1=CC=C(N2C=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211346	1	43	-1.0	-47.95	337.96	7.39	-40.56
CC1=CC(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)S1	REAL300020211347	0	48	-1.0	-51.10	375.86	8.48	-42.62
CC1=CC(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)S1	REAL300020211347	1	48	-1.0	-51.11	375.91	8.50	-42.61
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(S(=O)(=O)N(C)C)O1	REAL300020211348	0	47	-1.0	-49.11	376.85	2.02	-47.09
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(S(=O)(=O)N(C)C)O1	REAL300020211348	1	47	-1.0	-49.10	376.90	2.02	-47.08
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020211349	0	48	-1.0	-51.32	363.36	9.11	-42.21
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020211349	1	48	-1.0	-51.33	363.38	9.12	-42.21
O=C(C1=CC2=CC=CC(Cl)=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211350	0	39	-1.0	-48.48	323.75	6.62	-41.86
O=C(C1=CC2=CC=CC(Cl)=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211350	1	39	-1.0	-48.49	323.80	6.62	-41.87
O=C(CCC1CCCOC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211351	0	46	-1.0	-48.62	336.51	5.10	-43.52
O=C(CCC1CCCOC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211351	1	46	-1.0	-48.57	336.56	5.11	-43.46
CCC(C)OC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211352	0	49	-1.0	-49.53	368.19	7.07	-42.46
CCC(C)OC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211352	1	49	-1.0	-49.55	368.22	7.08	-42.47
CN1N=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C21	REAL300020211353	0	41	-1.0	-48.65	324.66	4.48	-44.17
CN1N=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C21	REAL300020211353	1	41	-1.0	-48.65	324.63	4.48	-44.17
O=C(C1CSCCS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211354	0	38	-1.0	-49.14	305.97	5.52	-43.62
O=C(C1CSCCS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211354	1	38	-1.0	-49.12	306.02	5.53	-43.59
COC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020211355	0	41	-1.0	-49.96	330.67	4.25	-45.71
COC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020211355	1	41	-1.0	-49.95	330.64	4.24	-45.71
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211356	0	46	-2.0	-128.91	374.67	5.75	-123.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211356	1	46	-2.0	-128.93	374.72	5.77	-123.16
O=C(CCOC1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211357	0	47	-1.0	-46.52	351.70	3.78	-42.74
O=C(CCOC1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211357	1	47	-1.0	-46.47	351.75	3.78	-42.69
CC1=CC(O)=CC(=O)N1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211358	0	46	-1.0	-54.25	359.34	2.72	-51.53
CC1=CC(O)=CC(=O)N1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211358	1	46	-1.0	-54.22	359.40	2.75	-51.47
CC1=CC(O)=CC(=O)N1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211359	0	43	-1.0	-57.55	339.81	2.25	-55.30
CC1=CC(O)=CC(=O)N1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211359	1	43	-1.0	-57.56	339.89	2.25	-55.31
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020211360	0	48	-1.0	-59.01	376.37	4.35	-54.66
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020211360	1	48	-1.0	-59.02	376.41	4.35	-54.67
COC1=CC=CC(C(C)CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211361	0	49	-1.0	-47.20	364.35	7.09	-40.11
COC1=CC=CC(C(C)CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211361	1	49	-1.0	-47.24	364.38	7.09	-40.15
CC(=CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1OC(F)F	REAL300020211362	0	47	-1.0	-46.00	376.63	7.23	-38.77
CC(=CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1OC(F)F	REAL300020211362	1	47	-1.0	-45.98	376.68	7.24	-38.74
CNS(=O)(=O)C1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211363	0	41	-1.0	-55.29	348.47	0.50	-54.79
CNS(=O)(=O)C1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211363	1	41	-1.0	-55.28	348.53	0.48	-54.80
O=C(C1=CC=C(OC2=CC=CC=C2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211364	0	44	-1.0	-46.21	357.61	7.71	-38.50
O=C(C1=CC=C(OC2=CC=CC=C2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211364	1	44	-1.0	-46.23	357.64	7.71	-38.52
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NC2=CC=CC=C21	REAL300020211365	0	44	-1.0	-45.99	338.86	6.83	-39.16
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NC2=CC=CC=C21	REAL300020211365	1	44	-1.0	-45.97	338.91	6.84	-39.13
CNS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)O1	REAL300020211366	0	44	-1.0	-49.58	357.85	0.20	-49.38
CNS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)O1	REAL300020211366	1	44	-1.0	-49.54	357.91	0.20	-49.34
CC1=C(Br)SC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211367	0	36	-1.0	-47.00	310.33	5.91	-41.09
CC1=C(Br)SC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211367	1	36	-1.0	-47.05	310.37	5.94	-41.11
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(F)C=C1F	REAL300020211368	0	39	-1.0	-53.71	308.59	5.95	-47.76
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(F)C=C1F	REAL300020211368	1	39	-1.0	-53.75	308.64	5.96	-47.79
COC1=CC=C(OC)C(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211369	0	47	-1.0	-51.87	366.64	5.14	-46.73
COC1=CC=C(OC)C(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211369	1	47	-1.0	-51.89	366.69	5.14	-46.75
O=C(C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211370	0	48	-1.0	-47.91	383.52	6.29	-41.62
O=C(C1=CC=C(C2=NC(C3CC3)=NO2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211370	1	48	-1.0	-47.91	383.49	6.27	-41.64
O=C(C1=CC=C(F)C(F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211371	0	36	-1.0	-49.79	296.16	5.48	-44.31
O=C(C1=CC=C(F)C(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211371	1	36	-1.0	-49.77	296.12	5.49	-44.28
NC(=O)C1=CC=C(OCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211372	0	47	-1.0	-49.94	367.58	2.93	-47.01
NC(=O)C1=CC=C(OCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211372	1	47	-1.0	-49.97	367.64	2.95	-47.02
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CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL300020211382	0	45	-1.0	-54.31	346.04	7.94	-46.37
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL300020211382	1	45	-1.0	-54.33	346.11	7.94	-46.39
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CNS(=O)(=O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211383	1	37	-1.0	-61.44	299.56	-1.07	-62.51
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CN1C(=O)NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020211386	1	39	-1.0	-43.91	302.07	1.49	-42.42
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CC(C)C1=NN(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211389	0	45	-1.0	-47.53	341.01	4.94	-42.59
CC(C)C1=NN(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211389	1	45	-1.0	-47.52	341.13	4.94	-42.58
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CC(C)C1=NN=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020211391	1	46	-1.0	-50.52	358.69	1.55	-48.97
CC(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020211392	0	45	-1.0	-54.14	340.86	5.49	-48.65
CC(C)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020211392	1	45	-1.0	-54.13	340.91	5.50	-48.63
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COCCCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211393	1	50	-1.0	-49.53	386.20	5.52	-44.01
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O=C(C1=CC(=O)C(OCC2=CC=CC=C2)=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211395	1	49	-1.0	-58.02	391.68	7.75	-50.27
CC(CS(C)(=O)=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211396	0	41	-1.0	-49.61	317.44	1.63	-47.98
CC(CS(C)(=O)=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211396	1	41	-1.0	-49.64	317.50	1.64	-48.00
COC1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211397	0	37	-1.0	-48.39	301.05	3.68	-44.71
COC1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211397	1	37	-1.0	-48.41	301.10	3.69	-44.72
O=C(C1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211398	0	47	-1.0	-51.97	383.81	8.81	-43.16
O=C(C1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211398	1	47	-1.0	-51.94	383.83	8.81	-43.13
CSCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020211399	0	43	-1.0	-46.25	351.53	7.29	-38.96
CSCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020211399	1	43	-1.0	-46.25	351.56	7.30	-38.95
COC1=CC=C(C(C)CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211400	0	49	-1.0	-47.60	366.79	7.10	-40.50
COC1=CC=C(C(C)CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211400	1	49	-1.0	-47.59	366.82	7.11	-40.48
N#CCSC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211401	0	41	-1.0	-54.74	341.00	6.97	-47.77
N#CCSC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211401	1	41	-1.0	-54.71	341.03	6.97	-47.74
CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020211402	0	44	-1.0	-49.97	342.46	7.19	-42.78
CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020211402	1	44	-1.0	-49.96	342.48	7.20	-42.76
O=C(C1=NC2=CC(Cl)=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211403	0	41	-1.0	-49.83	336.40	7.08	-42.75
O=C(C1=NC2=CC(Cl)=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211403	1	41	-1.0	-49.88	336.36	7.06	-42.82
CC(C)(C)OC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211404	0	49	-1.0	-49.01	357.77	6.52	-42.49
CC(C)(C)OC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211404	1	49	-1.0	-49.08	357.97	6.51	-42.57
CC(C)CCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211405	0	50	-1.0	-47.74	368.14	7.86	-39.88
CC(C)CCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211405	1	50	-1.0	-47.76	368.19	7.86	-39.90
CC1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211406	0	42	-1.0	-46.95	332.00	5.82	-41.13
CC1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020211406	1	42	-1.0	-46.94	332.06	5.84	-41.10
O=C(C1=CN(C2=CC=CC(Cl)=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211407	0	43	-1.0	-50.45	352.32	9.07	-41.38
O=C(C1=CN(C2=CC=CC(Cl)=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211407	1	43	-1.0	-50.48	352.27	9.06	-41.42
CC1=CC=C(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020211408	0	45	-1.0	-51.58	358.28	7.97	-43.61
CC1=CC=C(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020211408	1	45	-1.0	-51.59	358.33	7.99	-43.60
CC1(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)NC(=O)NC1=O	REAL300020211409	0	48	-1.0	-53.53	376.12	2.44	-51.09
CC1(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)NC(=O)NC1=O	REAL300020211409	1	48	-1.0	-53.60	376.17	2.46	-51.14
CC1=NC2=CC=CC=C2N1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211410	0	45	-1.0	-55.99	355.04	6.83	-49.16
CC1=NC2=CC=CC=C2N1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211410	1	45	-1.0	-56.00	355.10	6.86	-49.14
COC1=C2OC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C(C=O)C=C1	REAL300020211411	0	45	-1.0	-62.90	357.63	5.15	-57.75
COC1=C2OC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C(C=O)C=C1	REAL300020211411	1	45	-1.0	-62.90	357.69	5.15	-57.75
CC(=CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020211412	0	43	-1.0	-46.62	345.66	8.31	-38.31
CC(=CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020211412	1	43	-1.0	-46.64	345.69	8.32	-38.32
COC(=O)COC1=C(C)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020211413	0	52	-1.0	-49.84	409.99	7.86	-41.98
COC(=O)COC1=C(C)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020211413	1	52	-1.0	-49.86	410.03	7.86	-42.00
COC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211414	0	39	-1.0	-48.62	303.63	3.39	-45.23
COC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211414	1	39	-1.0	-48.59	303.58	3.36	-45.23
O=C(C1=CC(OC2=CC=CC=C2)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211415	0	46	-1.0	-52.94	361.33	7.33	-45.61
O=C(C1=CC(OC2=CC=CC=C2)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211415	1	46	-1.0	-52.93	361.28	7.33	-45.60
O=C(C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211416	0	48	-1.0	-42.77	388.20	8.72	-34.05
O=C(C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211416	1	48	-1.0	-42.79	388.24	8.73	-34.06
O=C(C1=CC(C(F)(F)F)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211417	0	39	-1.0	-49.22	322.03	6.38	-42.84
O=C(C1=CC(C(F)(F)F)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211417	1	39	-1.0	-49.20	322.03	6.41	-42.79
CC(SC1=CC=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211418	0	42	-1.0	-50.50	335.27	6.26	-44.24
CC(SC1=CC=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211418	1	42	-1.0	-50.48	335.22	6.26	-44.22
O=C(C=CSCC1=CC=CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211419	0	41	-1.0	-48.99	339.85	6.37	-42.62
O=C(C=CSCC1=CC=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211419	1	41	-1.0	-49.01	339.90	6.37	-42.64
COC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020211420	0	43	-1.0	-49.83	351.44	5.78	-44.05
COC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020211420	1	43	-1.0	-49.83	351.50	5.78	-44.05
O=CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020211421	0	35	-1.0	-47.81	293.08	4.23	-43.58
O=CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020211421	1	35	-1.0	-47.79	293.12	4.23	-43.56
COC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020211422	0	48	-1.0	-49.11	380.31	6.46	-42.65
COC1=CC=C(C(=O)CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020211422	1	48	-1.0	-49.11	380.36	6.47	-42.64
CC1=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Br	REAL300020211423	0	45	-1.0	-47.11	364.16	8.49	-38.62
CC1=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Br	REAL300020211423	1	45	-1.0	-47.10	364.21	8.50	-38.60
CS(=O)(=O)NCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211424	0	44	-1.0	-57.56	360.47	0.73	-56.83
CS(=O)(=O)NCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020211424	1	44	-1.0	-57.57	360.53	0.73	-56.84
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=C1	REAL300020211425	0	53	-1.0	-50.90	403.92	7.58	-43.32
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=C1	REAL300020211425	1	53	-1.0	-50.88	403.88	7.56	-43.32
CCC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211426	0	44	-1.0	-51.31	341.19	6.60	-44.71
CCC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211426	1	44	-1.0	-51.33	341.19	6.62	-44.71
CC(C)CN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020211427	0	58	-1.0	-51.56	431.32	7.39	-44.17
CC(C)CN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020211427	1	58	-1.0	-51.56	431.39	7.41	-44.15
O=C(COCC=CC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211428	0	47	-1.0	-53.64	368.71	7.83	-45.81
O=C(COCC=CC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211428	1	47	-1.0	-53.60	368.76	7.83	-45.77
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020211429	0	40	-1.0	-46.75	315.82	4.74	-42.01
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020211429	1	40	-1.0	-46.77	315.86	4.77	-42.00
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211430	0	42	-1.0	-54.75	337.16	4.95	-49.80
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211430	1	42	-1.0	-54.77	337.17	4.96	-49.81
CC1=C(S(N)(=O)=O)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211431	0	41	-1.0	-56.73	336.41	-0.62	-57.35
CC1=C(S(N)(=O)=O)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020211431	1	41	-1.0	-56.76	336.47	-0.62	-57.38
CN1C=NC(S(=O)(=O)NCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211432	0	44	-1.0	-55.38	361.43	1.25	-54.13
CN1C=NC(S(=O)(=O)NCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211432	1	44	-1.0	-55.38	361.38	1.23	-54.15
CCC(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211433	0	48	-1.0	-48.83	356.80	7.85	-40.98
CCC(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211433	1	48	-1.0	-48.74	356.79	7.86	-40.88
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211434	0	44	-1.0	-46.80	352.71	7.92	-38.88
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211434	1	44	-1.0	-46.79	352.76	7.92	-38.87
O=C(C1=CN=C(CC2=CC=CC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211435	0	45	-1.0	-48.78	366.70	6.90	-41.88
O=C(C1=CN=C(CC2=CC=CC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211435	1	45	-1.0	-48.82	366.75	6.91	-41.91
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020211436	0	46	-1.0	-48.94	376.08	8.72	-40.22
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020211436	1	46	-1.0	-48.94	376.13	8.73	-40.21
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O=C(C1=CC=CC(Cl)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211437	1	36	-1.0	-52.25	299.74	5.86	-46.39
CC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020211438	0	45	-1.0	-50.77	349.70	7.20	-43.57
CC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020211438	1	45	-1.0	-50.74	349.74	7.22	-43.52
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211439	0	47	-1.0	-48.12	366.35	7.34	-40.78
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211439	1	47	-1.0	-48.08	366.30	7.31	-40.77
CC1=CC=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211440	0	39	-1.0	-48.92	317.01	6.59	-42.33
CC1=CC=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211440	1	39	-1.0	-48.88	317.01	6.60	-42.28
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O=C(CCCC1=CSC2=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211446	1	48	-1.0	-52.99	382.58	9.45	-43.54
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211447	0	46	-1.0	-47.12	375.67	7.19	-39.93
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211447	1	46	-1.0	-47.09	375.55	7.16	-39.93
CC1=CC=C(OCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020211448	0	52	-1.0	-51.14	400.82	7.91	-43.23
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O=C(CC1=CC=CC(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211450	1	39	-1.0	-50.95	318.71	6.29	-44.66
CC(C)CC(C)OCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211451	0	51	-1.0	-47.00	378.37	6.39	-40.61
CC(C)CC(C)OCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211451	1	51	-1.0	-47.00	378.42	6.40	-40.60
O=C(CCCC1=C(Cl)SC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211452	0	42	-1.0	-50.11	368.56	8.18	-41.93
O=C(CCCC1=C(Cl)SC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211452	1	42	-1.0	-50.10	368.61	8.20	-41.90
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)C=C1	REAL300020211453	0	52	-2.0	-130.48	403.85	7.09	-123.39
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)C=C1	REAL300020211453	1	52	-2.0	-130.52	403.90	7.09	-123.43
CCN(CC)C(=O)CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211454	0	48	-1.0	-46.79	362.25	5.65	-41.14
CCN(CC)C(=O)CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211454	1	48	-1.0	-46.80	362.29	5.66	-41.14
O=C(C1=CC=CC(OC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211455	0	40	-1.0	-46.56	325.97	5.18	-41.38
O=C(C1=CC=CC(OC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211455	1	40	-1.0	-46.55	326.00	5.17	-41.38
CC1=CC(Cl)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211456	0	39	-1.0	-47.67	315.46	6.50	-41.17
CC1=CC(Cl)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211456	1	39	-1.0	-47.69	315.49	6.50	-41.19
O=C(CCSC1=CC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211457	0	42	-1.0	-54.01	341.60	6.19	-47.82
O=C(CCSC1=CC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211457	1	42	-1.0	-54.01	341.55	6.18	-47.83
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211458	0	47	-1.0	-55.58	379.64	0.29	-55.29
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211458	1	47	-1.0	-55.59	379.59	0.28	-55.31
O=C(C1=CC=C(Br)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211459	0	36	-1.0	-46.13	318.36	6.62	-39.51
O=C(C1=CC=C(Br)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211459	1	36	-1.0	-46.19	318.40	6.63	-39.56
O=C(C1=CC=NC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020211460	0	35	-1.0	-49.22	284.48	4.20	-45.02
O=C(C1=CC=NC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020211460	1	35	-1.0	-49.21	284.44	4.19	-45.02
COC1=C(S(N)(=O)=O)SC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211461	0	42	-1.0	-55.17	353.83	-1.06	-56.23
COC1=C(S(N)(=O)=O)SC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211461	1	42	-1.0	-55.18	353.88	-1.05	-56.23
COC1=CC=C2OCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C1	REAL300020211462	0	46	-1.0	-51.77	352.28	5.14	-46.63
COC1=CC=C2OCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C1	REAL300020211462	1	46	-1.0	-51.75	352.31	5.15	-46.60
O=C(C1=CC(C2=CC=CC=C2F)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211463	0	43	-1.0	-50.15	342.98	5.96	-44.19
O=C(C1=CC(C2=CC=CC=C2F)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211463	1	43	-1.0	-50.16	343.05	5.97	-44.19
CC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211464	0	46	-1.0	-45.05	350.40	5.41	-39.64
CC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211464	1	46	-1.0	-45.12	350.43	5.42	-39.70
O=C(C1=NN(C2CCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211465	0	46	-1.0	-52.03	342.52	6.34	-45.69
O=C(C1=NN(C2CCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211465	1	46	-1.0	-52.00	342.46	6.34	-45.66
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211466	0	48	-1.0	-48.93	381.73	4.83	-44.10
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211466	1	48	-1.0	-48.93	381.78	4.86	-44.07
CC(CSC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211467	0	46	-1.0	-46.93	364.34	8.08	-38.85
CC(CSC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211467	1	46	-1.0	-46.91	364.40	8.10	-38.81
CCC1=NOC(CC)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211468	0	47	-1.0	-51.32	357.57	6.56	-44.76
CCC1=NOC(CC)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211468	1	47	-1.0	-51.28	357.61	6.57	-44.71
CC1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)S1	REAL300020211469	0	41	-1.0	-50.27	333.40	4.44	-45.83
CC1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)S1	REAL300020211469	1	41	-1.0	-50.30	333.46	4.47	-45.83
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211470	0	46	-1.0	-48.09	367.78	5.30	-42.79
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211470	1	46	-1.0	-48.11	367.83	5.31	-42.80
CN1C=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020211471	0	49	-1.0	-49.09	383.54	8.66	-40.43
CN1C=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020211471	1	49	-1.0	-49.13	383.60	8.67	-40.46
O=C(CCC1=CC=C2OCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211472	0	47	-1.0	-49.34	360.57	7.16	-42.18
O=C(CCC1=CC=C2OCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211472	1	47	-1.0	-49.38	360.62	7.17	-42.21
CC(O)C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020211473	0	42	-1.0	-62.43	331.76	0.53	-61.90
CC(O)C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020211473	1	42	-1.0	-62.41	331.82	0.54	-61.87
O=C(C1=CC=NN1C1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211474	0	46	-1.0	-48.42	344.68	5.96	-42.46
O=C(C1=CC=NN1C1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211474	1	46	-1.0	-48.39	344.62	5.96	-42.43
CC(C)N1N=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211475	0	42	-1.0	-47.31	319.86	4.69	-42.62
CC(C)N1N=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211475	1	42	-1.0	-47.29	319.74	4.67	-42.62
O=C(C1=CN=CC(OCC(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211476	0	42	-1.0	-53.35	339.34	4.06	-49.29
O=C(C1=CN=CC(OCC(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211476	1	42	-1.0	-53.31	339.32	4.04	-49.27
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211477	0	47	-1.0	-58.63	370.96	2.34	-56.29
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020211477	1	47	-1.0	-58.66	371.02	2.34	-56.32
CCC1=NC(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=NN1	REAL300020211478	0	48	-1.0	-52.45	378.22	6.74	-45.71
CCC1=NC(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=NN1	REAL300020211478	1	48	-1.0	-52.42	378.26	6.76	-45.66
O=C(C1=CC(Br)=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211479	0	38	-1.0	-46.47	326.81	6.62	-39.85
O=C(C1=CC(Br)=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211479	1	38	-1.0	-46.48	326.84	6.62	-39.86
O=C(CC1=CC=C(O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211480	0	40	-1.0	-50.51	313.85	3.60	-46.91
O=C(CC1=CC=C(O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211480	1	40	-1.0	-50.48	313.90	3.60	-46.88
CC1CC[NH+](CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211481	0	48	0.0	-49.10	337.99	6.73	-42.37
O=C(C#CC1=CC=C2OCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211482	0	41	-1.0	-52.41	337.17	5.82	-46.59
O=C(C#CC1=CC=C2OCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211482	1	41	-1.0	-50.56	337.21	5.84	-44.72
O=C(C=CC1=CC=CC(CO)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211483	0	44	-1.0	-52.41	344.49	4.24	-48.17
O=C(C=CC1=CC=CC(CO)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211483	1	44	-1.0	-52.39	344.54	4.24	-48.15
CC1(C)CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211484	0	48	-1.0	-49.83	337.01	6.75	-43.08
CC1(C)CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211484	1	48	-1.0	-49.88	337.06	6.78	-43.10
CC1=CC=C(C2=CN=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=C1	REAL300020211485	0	48	-1.0	-49.49	372.92	7.83	-41.66
CC1=CC=C(C2=CN=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=C1	REAL300020211485	1	48	-1.0	-49.50	372.88	7.82	-41.68
COC1=CC=C(C2=CN=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=C1	REAL300020211486	0	49	-1.0	-49.47	379.00	6.25	-43.22
COC1=CC=C(C2=CN=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=C1	REAL300020211486	1	49	-1.0	-49.46	378.97	6.26	-43.20
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211487	0	46	-1.0	-49.92	374.21	7.19	-42.73
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211487	1	46	-1.0	-49.90	374.26	7.20	-42.70
O=C(C1=CN=CC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211488	0	45	-1.0	-48.96	349.32	6.95	-42.01
O=C(C1=CN=CC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211488	1	45	-1.0	-48.98	349.29	6.95	-42.03
O=C(C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211489	0	45	-1.0	-47.78	366.28	7.47	-40.31
O=C(C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211489	1	45	-1.0	-47.78	366.25	7.47	-40.31
O=C(C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211490	0	50	-1.0	-50.27	385.47	6.83	-43.44
O=C(C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211490	1	50	-1.0	-50.30	385.43	6.83	-43.47
CCC(CC)N1N=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211491	0	48	-1.0	-47.73	358.12	6.14	-41.59
CCC(CC)N1N=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211491	1	48	-1.0	-47.71	358.03	6.16	-41.55
COC1=CC=C(Br)C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211492	0	43	-1.0	-48.51	350.29	6.23	-42.28
COC1=CC=C(Br)C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211492	1	43	-1.0	-48.49	350.34	6.24	-42.25
O=C(C1CCCC2=NNC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211493	0	43	-1.0	-51.59	320.18	4.32	-47.27
O=C(C1CCCC2=NNC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211493	1	43	-1.0	-51.58	320.24	4.33	-47.25
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211494	0	39	-1.0	-45.98	316.79	4.62	-41.36
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020211494	1	39	-1.0	-46.02	316.84	4.62	-41.40
CC1=CC(F)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020211495	0	39	-1.0	-50.14	309.68	6.07	-44.07
CC1=CC(F)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020211495	1	39	-1.0	-50.14	309.70	6.07	-44.07
CCCOC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211496	0	49	-1.0	-49.99	376.13	7.51	-42.48
CCCOC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211496	1	49	-1.0	-50.02	376.18	7.54	-42.48
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211497	0	46	-1.0	-45.30	386.39	6.07	-39.23
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211497	1	46	-1.0	-45.30	386.34	6.07	-39.23
O=C(C1=CC=CC(OCC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211498	0	43	-1.0	-52.18	350.90	6.06	-46.12
O=C(C1=CC=CC(OCC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211498	1	43	-1.0	-52.20	350.94	6.06	-46.14
COCCCS(=O)(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211499	0	47	-1.0	-60.77	376.21	-0.34	-61.11
COCCCS(=O)(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211499	1	47	-1.0	-60.82	376.26	-0.33	-61.15
CCC(CC)N1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211500	0	48	-1.0	-52.63	359.21	6.65	-45.98
CCC(CC)N1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211500	1	48	-1.0	-52.66	359.16	6.64	-46.02
O=C(C1=CC=CC2=NC=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211501	0	39	-1.0	-48.63	308.90	5.93	-42.70
O=C(C1=CC=CC2=NC=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211501	1	39	-1.0	-48.61	308.95	5.95	-42.66
N#CC1=CC=CC=C1NC(=O)CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211502	0	50	-1.0	-59.05	397.66	6.76	-52.29
N#CC1=CC=CC=C1NC(=O)CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211502	1	50	-1.0	-59.06	397.71	6.76	-52.30
O=C(C1=CC=C(SC2CCOC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211503	0	47	-1.0	-53.95	370.61	7.45	-46.50
O=C(C1=CC=C(SC2CCOC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211503	1	47	-1.0	-53.90	370.61	7.46	-46.44
CC1=CC=CC(C2=CN=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=C1	REAL300020211504	0	48	-1.0	-48.73	370.93	7.64	-41.09
CC1=CC=CC(C2=CN=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=C1	REAL300020211504	1	48	-1.0	-48.71	370.90	7.63	-41.08
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020211505	0	42	-1.0	-50.80	341.61	6.24	-44.56
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020211505	1	42	-1.0	-50.81	341.65	6.25	-44.56
CC1(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)NC(=O)NC1=O	REAL300020211506	0	48	-1.0	-48.98	374.53	2.11	-46.87
CC1(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)NC(=O)NC1=O	REAL300020211506	1	48	-1.0	-48.94	374.56	2.12	-46.82
CC1(C)C(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020211507	0	47	-1.0	-48.83	365.51	5.06	-43.77
CC1(C)C(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020211507	1	47	-1.0	-48.83	365.55	5.08	-43.75
CC(C)OC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020211508	0	45	-1.0	-48.41	349.07	3.97	-44.44
CC(C)OC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020211508	1	45	-1.0	-48.35	349.02	3.96	-44.39
O=C(CSC1=NC2=CC=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211509	0	43	-1.0	-47.78	355.76	5.52	-42.26
O=C(CSC1=NC2=CC=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211509	1	43	-1.0	-47.77	355.82	5.52	-42.25
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211510	0	38	-2.0	-92.21	312.97	3.91	-88.30
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211510	1	38	-2.0	-92.27	313.00	3.91	-88.36
O=C(C1=CC(O)=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211510	1	39	-1.0	-51.72	316.53	3.15	-48.57
O=C(C1=CC(O)=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211510	1	39	-1.0	-51.71	316.57	3.16	-48.55
N#CC1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020211511	0	36	-1.0	-45.89	306.47	5.36	-40.53
N#CC1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020211511	1	36	-1.0	-45.87	306.42	5.35	-40.52
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211512	0	47	-1.0	-58.59	382.74	6.85	-51.74
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211512	1	47	-1.0	-58.64	382.70	6.84	-51.80
CNC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211513	0	42	-1.0	-48.27	330.27	2.76	-45.51
CNC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211513	1	42	-1.0	-48.24	330.21	2.75	-45.49
CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020211514	0	42	-1.0	-48.28	343.36	7.14	-41.14
CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020211514	1	42	-1.0	-48.25	343.42	7.15	-41.10
O=C(C1=CC=NC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211515	0	35	-1.0	-45.65	296.33	4.13	-41.52
O=C(C1=CC=NC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211515	1	35	-1.0	-45.68	296.29	4.12	-41.56
O=C(C1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211516	0	36	-1.0	-46.40	304.84	6.11	-40.29
O=C(C1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211516	1	36	-1.0	-46.36	304.89	6.12	-40.24
O=C(C1=CN(CC2=CC=CC(F)=C2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211517	0	45	-1.0	-48.63	364.72	6.22	-42.41
O=C(C1=CN(CC2=CC=CC(F)=C2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211517	1	45	-1.0	-48.62	364.67	6.20	-42.42
CC1=CC(=O)NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211518	0	39	-1.0	-47.93	306.41	3.07	-44.86
CC1=CC(=O)NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211518	1	39	-1.0	-47.94	306.46	3.10	-44.84
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211519	0	43	-1.0	-52.12	350.49	4.78	-47.34
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211519	1	43	-1.0	-52.12	350.52	4.77	-47.35
CC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020211520	0	43	-1.0	-56.74	350.35	4.79	-51.95
CC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020211520	1	43	-1.0	-56.76	350.38	4.79	-51.97
O=C(C1=C(F)C=C2NC(=O)CCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211521	0	44	-1.0	-51.40	345.28	4.62	-46.78
O=C(C1=C(F)C=C2NC(=O)CCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211521	1	44	-1.0	-51.38	345.30	4.64	-46.74
O=C(CCC1=NC(C2CCCC2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211522	0	50	-1.0	-46.26	386.28	4.82	-41.44
O=C(CCC1=NC(C2CCCC2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211522	1	50	-1.0	-46.22	386.35	4.82	-41.40
CCCC(O)(CCC)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211523	0	51	-1.0	-46.20	361.88	5.65	-40.55
CCCC(O)(CCC)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211523	1	51	-1.0	-46.21	361.92	5.67	-40.54
O=C(CSC1=CC=C(O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211524	0	41	-1.0	-49.95	337.50	3.74	-46.21
O=C(CSC1=CC=C(O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211524	1	41	-1.0	-49.96	337.56	3.75	-46.21
CC(C)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211525	0	44	-1.0	-50.31	333.21	6.26	-44.05
CC(C)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211525	1	44	-1.0	-50.33	333.27	6.26	-44.07
N#CC1=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020211526	0	36	-1.0	-62.39	299.63	4.75	-57.64
N#CC1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020211526	1	36	-1.0	-62.36	299.58	4.72	-57.64
O=C(CC1=CC=C(F)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020211527	0	39	-1.0	-48.12	328.35	6.54	-41.58
O=C(CC1=CC=C(F)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020211527	1	39	-1.0	-48.13	328.42	6.55	-41.58
CCOCCS(=O)(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211528	0	47	-1.0	-56.70	376.57	-0.17	-56.87
CCOCCS(=O)(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211528	1	47	-1.0	-56.71	376.62	-0.16	-56.87
CC1=CSC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212529	0	41	-1.0	-47.36	335.92	4.59	-42.77
CC1=CSC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212529	1	41	-1.0	-47.33	335.98	4.61	-42.72
COC(CNC(=O)OC(C)(C)C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212530	0	56	-1.0	-51.64	416.86	2.88	-48.76
COC(CNC(=O)OC(C)(C)C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212530	1	56	-1.0	-51.69	416.91	2.89	-48.80
O=C(C1=NN(C2=CC=NC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212531	0	42	-1.0	-52.18	332.09	5.44	-46.74
O=C(C1=NN(C2=CC=NC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212531	1	42	-1.0	-52.20	332.14	5.44	-46.76
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(S(N)(=O)=O)O1	REAL300020212532	0	41	-1.0	-49.94	335.43	-1.01	-50.95
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(S(N)(=O)=O)O1	REAL300020212532	1	41	-1.0	-49.94	335.48	-1.01	-50.95
O=C(C1=COC(C2CCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212533	0	42	-1.0	-47.94	324.70	4.04	-43.90
O=C(C1=COC(C2CCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212533	1	42	-1.0	-47.95	324.76	4.05	-43.90
CC1=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020212534	0	45	-1.0	-51.05	356.11	7.22	-43.83
CC1=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020212534	1	45	-1.0	-51.05	356.16	7.23	-43.82
CC1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1C1=CC=CC=C1	REAL300020212535	0	46	-1.0	-47.88	352.99	7.93	-39.95
CC1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1C1=CC=CC=C1	REAL300020212535	1	46	-1.0	-47.86	353.06	7.94	-39.92
CC1=CC=CN=C1C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212536	0	41	-1.0	-50.67	319.43	5.86	-44.81
CC1=CC=CN=C1C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212536	1	41	-1.0	-50.71	319.37	5.84	-44.87
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)=C1	REAL300020212537	0	46	-2.0	-136.03	368.42	5.81	-130.22
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)=C1	REAL300020212537	1	46	-2.0	-136.08	368.46	5.82	-130.26
CC(C)CC(=O)NC(CC(N)=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212538	0	52	-1.0	-49.15	384.29	2.00	-47.15
CC(C)CC(=O)NC(CC(N)=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212538	1	52	-1.0	-49.15	384.15	1.99	-47.16
C[Si](C)(C)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212539	0	51	-1.0	-51.44	395.69	10.95	-40.49
C[Si](C)(C)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212539	1	51	-1.0	-51.45	395.75	10.95	-40.50
CC(C)(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020212540	0	41	-1.0	-41.24	308.42	5.64	-35.60
CC(C)(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020212540	1	41	-1.0	-41.27	308.51	5.65	-35.62
COC(=O)[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020212541	0	48	-1.0	-48.64	356.79	6.40	-42.24
COC(=O)[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020212541	1	48	-1.0	-48.65	356.85	6.40	-42.25
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212542	0	40	-1.0	-44.61	344.33	7.13	-37.48
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212542	1	40	-1.0	-44.57	344.39	7.13	-37.44
CC1=NC(CN2N=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C)=NO1	REAL300020212543	0	46	-1.0	-51.21	365.85	2.18	-49.03
CC1=NC(CN2N=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C)=NO1	REAL300020212543	1	46	-1.0	-51.19	365.90	2.19	-49.00
CC1=NC(CN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=N2)=NO1	REAL300020212544	0	43	-1.0	-51.77	349.83	1.64	-50.13
CC1=NC(CN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=N2)=NO1	REAL300020212544	1	43	-1.0	-51.76	349.88	1.66	-50.10
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=N1	REAL300020212545	0	41	-1.0	-52.09	309.77	4.93	-47.16
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=N1	REAL300020212545	1	41	-1.0	-52.17	309.83	4.92	-47.25
CCC1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020212546	0	39	-1.0	-45.22	322.87	4.14	-41.08
CCC1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020212546	1	39	-1.0	-45.21	322.92	4.13	-41.08
O=C(C1=NN(CC(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212547	0	39	-1.0	-54.45	314.34	4.94	-49.51
O=C(C1=NN(CC(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212547	1	39	-1.0	-54.44	314.29	4.93	-49.51
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)=C1	REAL300020212548	0	52	-2.0	-133.41	404.26	7.06	-126.35
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)=C1	REAL300020212548	1	52	-2.0	-133.46	404.31	7.06	-126.40
O=C(C1=C2NC=CC=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212549	0	39	-1.0	-52.98	308.25	3.71	-49.27
O=C(C1=C2NC=CC=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212549	1	39	-1.0	-52.53	307.76	3.72	-48.81
O=C(CC1=CC=CN=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020212550	0	38	-1.0	-50.87	320.54	4.67	-46.20
O=C(CC1=CC=CN=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020212550	1	38	-1.0	-50.88	320.48	4.65	-46.23
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=CC2=CC=CC=C2C1=O	REAL300020212551	0	48	-1.0	-46.24	364.83	7.36	-38.88
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=CC2=CC=CC=C2C1=O	REAL300020212551	1	48	-1.0	-46.20	364.86	7.36	-38.84
CN1N=CC2=C1N(C)C=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2=O	REAL300020212552	0	45	-1.0	-64.46	345.08	5.18	-59.28
CN1N=CC2=C1N(C)C=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2=O	REAL300020212552	1	45	-1.0	-64.50	345.13	5.18	-59.32
CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL300020212553	0	43	-1.0	-56.60	340.17	7.15	-49.45
CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL300020212553	1	43	-1.0	-56.64	340.20	7.15	-49.49
N#CCCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020212554	0	50	-1.0	-61.85	398.07	9.24	-52.61
N#CCCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020212554	1	50	-1.0	-61.79	398.08	9.26	-52.53
O=C(C1=CC=CC(CO)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212555	0	40	-1.0	-50.76	312.80	2.69	-48.07
O=C(C1=CC=CC(CO)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212555	1	40	-1.0	-50.84	312.83	2.70	-48.14
O=C(C1CC(C2=C(F)C=CC=C2F)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212556	0	44	-1.0	-56.93	361.67	6.47	-50.46
O=C(C1CC(C2=C(F)C=CC=C2F)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212556	1	44	-1.0	-56.90	361.73	6.49	-50.41
O=C(C1=NC(C2=CC=CC=C2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212557	0	42	-1.0	-52.17	344.48	6.04	-46.13
O=C(C1=NC(C2=CC=CC=C2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212557	1	42	-1.0	-52.14	344.42	6.02	-46.12
CCC1=CSC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212558	0	41	-1.0	-50.10	335.67	4.56	-45.54
CCC1=CSC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212558	1	41	-1.0	-50.09	335.73	4.59	-45.50
O=C(CCC1=CN=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212559	0	40	-1.0	-47.58	318.31	3.24	-44.34
O=C(CCC1=CN=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212559	1	40	-1.0	-47.61	318.37	3.27	-44.34
CN1N=CC2=C1CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)CC2	REAL300020212560	0	46	-1.0	-49.37	342.45	5.53	-43.84
CN1N=CC2=C1CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)CC2	REAL300020212560	1	46	-1.0	-49.33	342.50	5.55	-43.78
CS(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212561	0	44	-1.0	-54.75	355.04	5.05	-49.70
CS(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212561	1	44	-1.0	-54.81	355.10	5.05	-49.76
O=C([C@H]1C[C@@H]1C1=CC=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212562	0	43	-1.0	-50.34	341.57	7.45	-42.89
O=C([C@H]1C[C@@H]1C1=CC=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212562	1	43	-1.0	-50.34	341.64	7.45	-42.89
O=C(CCCOC1=CC=C2CCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212563	0	54	-1.0	-56.81	419.16	5.68	-51.13
O=C(CCCOC1=CC=C2CCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212563	1	54	-1.0	-56.83	419.22	5.70	-51.13
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1CC1=CC=C(F)C=C1	REAL300020212564	0	48	-1.0	-47.53	377.16	6.59	-40.94
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1CC1=CC=C(F)C=C1	REAL300020212564	1	48	-1.0	-47.52	377.21	6.59	-40.93
O=C(C1=CC=CC(CN2C=CN=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212565	0	46	-1.0	-56.40	365.53	8.81	-47.59
O=C(C1=CC=CC(CN2C=CN=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212565	1	46	-1.0	-56.48	365.57	8.82	-47.66
O=C(C1=NC2=NC=CN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212566	0	39	-1.0	-52.87	309.36	3.72	-49.15
O=C(C1=NC2=NC=CN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212566	1	39	-1.0	-52.92	309.31	3.71	-49.21
CC1=NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020212567	0	41	-1.0	-51.51	323.77	3.04	-48.47
CC1=NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020212567	1	41	-1.0	-51.52	323.81	3.05	-48.47
O=C(C1=NC2=CC=CC=C2N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212568	0	39	-1.0	-58.66	311.85	3.90	-54.76
O=C(C1=NC2=CC=CC=C2N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212568	1	39	-1.0	-58.63	311.79	3.89	-54.74
CC1=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2O1	REAL300020212569	0	41	-1.0	-58.36	321.98	3.01	-55.35
CC1=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2O1	REAL300020212569	1	41	-1.0	-58.38	321.98	3.02	-55.36
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1CO	REAL300020212570	0	43	-1.0	-54.19	329.04	3.44	-50.75
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1CO	REAL300020212570	1	43	-1.0	-54.16	329.07	3.46	-50.70
CN1C=NC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020212571	0	42	-1.0	-50.80	320.53	6.62	-44.18
CN1C=NC2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020212571	1	42	-1.0	-50.76	320.49	6.60	-44.16
COC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020212572	0	38	-1.0	-46.42	311.64	4.06	-42.36
COC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020212572	1	38	-1.0	-46.42	311.59	4.03	-42.39
CC(C)N1C=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212573	0	42	-1.0	-52.13	322.70	6.81	-45.32
CC(C)N1C=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212573	1	42	-1.0	-52.16	322.64	6.80	-45.36
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212574	0	40	-1.0	-48.25	324.08	4.18	-44.07
NC1=CC(F)=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212574	1	40	-1.0	-48.23	324.14	4.21	-44.02
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)S(C)(=O)=O	REAL300020212575	0	44	-1.0	-49.07	325.03	2.08	-46.99
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)S(C)(=O)=O	REAL300020212575	1	44	-1.0	-49.12	325.09	2.08	-47.04
CCOC1=NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1	REAL300020212576	0	46	-1.0	-51.68	360.49	2.77	-48.91
CCOC1=NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1	REAL300020212576	1	46	-1.0	-51.62	360.53	2.78	-48.84
COC1=CC=CN=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212577	0	42	-1.0	-50.91	330.25	3.69	-47.22
COC1=CC=CN=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212577	1	42	-1.0	-50.93	330.31	3.72	-47.21
O=C(C1=C(Br)OC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212578	0	33	-1.0	-48.92	279.63	4.04	-44.88
O=C(C1=C(Br)OC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212578	1	33	-1.0	-48.90	279.68	4.04	-44.86
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SCCO1	REAL300020212579	0	39	-1.0	-53.97	308.77	4.70	-49.27
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SCCO1	REAL300020212579	1	39	-1.0	-53.94	308.82	4.71	-49.23
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(O)C=C1	REAL300020212580	0	39	-1.0	-53.55	315.61	2.58	-50.97
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(O)C=C1	REAL300020212580	1	39	-1.0	-53.56	315.66	2.60	-50.96
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C([O-])C=C1	REAL300020212580	1	38	-2.0	-96.65	312.05	3.37	-93.28
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C([O-])C=C1	REAL300020212580	1	38	-2.0	-96.68	312.10	3.38	-93.30
O=C(C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020212581	0	47	-1.0	-58.47	377.04	8.07	-50.40
O=C(C1=CC=NC(C2=CC=CC=C2)=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020212581	1	47	-1.0	-58.37	377.02	8.05	-50.32
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212582	0	47	-1.0	-46.54	376.15	7.54	-39.00
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212582	1	47	-1.0	-46.59	376.20	7.54	-39.05
N#CC1=CC=CC(C2=NOC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=C1	REAL300020212583	0	43	-1.0	-47.13	355.08	6.91	-40.22
N#CC1=CC=CC(C2=NOC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=C1	REAL300020212583	1	43	-1.0	-47.10	355.02	6.90	-40.20
O=C(CC1=CC(N2CCCC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212584	0	50	-1.0	-57.03	380.95	7.52	-49.51
O=C(CC1=CC(N2CCCC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212584	1	50	-1.0	-57.13	381.01	7.53	-49.60
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1Cl	REAL300020212585	0	39	-1.0	-53.34	317.85	6.46	-46.88
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1Cl	REAL300020212585	1	39	-1.0	-53.35	317.89	6.46	-46.89
O=C(C1CC2CCCC(C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212586	0	49	-1.0	-50.75	333.83	7.09	-43.66
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CC1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300020212587	0	49	-1.0	-56.13	389.05	7.78	-48.35
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COCCOC1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020212617	0	53	-1.0	-50.47	390.96	5.07	-45.40
COCCOC1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020212617	1	53	-1.0	-50.48	391.01	5.08	-45.40
COC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=C(F)C=C1	REAL300020212618	0	44	-1.0	-50.97	344.79	5.25	-45.72
COC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=C(F)C=C1	REAL300020212618	1	44	-1.0	-51.04	344.84	5.26	-45.78
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O=C(C(F)CC1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212619	1	48	-1.0	-47.29	348.16	7.43	-39.86
CC1=C(C(C)C)N=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020212620	0	47	-1.0	-50.44	372.03	6.30	-44.14
CC1=C(C(C)C)N=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020212620	1	47	-1.0	-50.43	372.08	6.31	-44.12
O=C(C1=CN=C2NC=C(Br)C=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020212621	0	39	-1.0	-51.43	330.16	5.43	-46.00
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O=C(CC1=CC2=CNN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212622	0	42	-1.0	-54.98	333.97	4.76	-50.22
O=C(CC1=CC2=CNN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212622	1	42	-1.0	-54.97	334.04	4.76	-50.21
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212623	0	56	-1.0	-61.87	402.54	6.62	-55.25
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212623	1	56	-1.0	-61.88	402.57	6.64	-55.24
CC1C(=O)CCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212624	0	44	-1.0	-48.07	325.25	5.67	-42.40
CC1C(=O)CCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212624	1	44	-1.0	-48.07	325.30	5.69	-42.38
O=C(C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212625	0	48	-1.0	-50.47	382.87	6.17	-44.30
O=C(C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212625	1	48	-1.0	-50.47	382.84	6.16	-44.31
COC1CCCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020212626	0	49	-1.0	-47.12	354.09	5.82	-41.30
COC1CCCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212626	1	49	-1.0	-47.09	354.12	5.83	-41.26
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O=C(C1CC2=CC=C(F)C=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020212627	1	40	-1.0	-46.29	318.98	6.66	-39.63
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212628	0	45	-1.0	-54.33	367.82	6.95	-47.38
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212628	1	45	-1.0	-54.32	367.88	6.98	-47.34
CC1=NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2N1C	REAL300020212629	0	45	-1.0	-53.84	350.94	6.69	-47.15
CC1=NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2N1C	REAL300020212629	1	45	-1.0	-53.80	350.97	6.71	-47.09
CC(C)(C#N)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212630	0	46	-1.0	-50.86	354.69	7.27	-43.59
CC(C)(C#N)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212630	1	46	-1.0	-50.86	354.70	7.29	-43.57
CC(C)(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCCC1	REAL300020212631	0	54	-1.0	-44.93	361.85	8.18	-36.75
CC(C)(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCCC1	REAL300020212631	1	54	-1.0	-44.98	361.89	8.20	-36.78
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212632	0	55	0.0	-70.67	399.63	9.14	-61.53
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212632	1	55	0.0	-70.68	399.67	9.17	-61.51
CC(C)(C)OC(=O)N1CC2(CC2C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020212633	0	54	-1.0	-54.72	412.25	5.93	-48.79
CC(C)(C)OC(=O)N1CC2(CC2C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212633	1	54	-1.0	-54.69	412.32	5.94	-48.75
CN1N=C(C(F)F)C2=C1SC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020212634	0	42	-1.0	-56.05	353.90	5.51	-50.54
CN1N=C(C(F)F)C2=C1SC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020212634	1	42	-1.0	-56.08	353.95	5.53	-50.55
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212635	0	49	-1.0	-57.74	371.09	8.68	-49.06
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212635	1	49	-1.0	-57.69	371.15	8.68	-49.01
CC(C)CN1C=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020212636	0	52	-1.0	-57.21	387.63	9.26	-47.95
CC(C)CN1C=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020212636	1	52	-1.0	-57.16	387.66	9.26	-47.90
O=C(C1=CC2=CC=CC=C2C(=O)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212637	0	41	-1.0	-47.20	328.42	7.04	-40.16
O=C(C1=CC2=CC=CC=C2C(=O)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212637	1	41	-1.0	-47.19	328.46	7.05	-40.14
O=C(C1=CC=C2C=CCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212638	0	44	-1.0	-49.81	335.35	7.77	-42.04
O=C(C1=CC=C2C=CCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212638	1	44	-1.0	-49.83	335.37	7.76	-42.07
O=C(C1=NN(C2CCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212639	0	49	-1.0	-51.99	362.77	7.07	-44.92
O=C(C1=NN(C2CCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212639	1	49	-1.0	-51.97	362.72	7.05	-44.92
COC1=CC=CC(C2=NOC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)=C1	REAL300020212640	0	48	-1.0	-58.75	374.09	6.01	-52.74
COC1=CC=CC(C2=NOC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)=C1	REAL300020212640	1	48	-1.0	-58.76	374.14	6.02	-52.74
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CC(NC(=O)OC(C)(C)C)C(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212677	0	55	-1.0	-52.20	396.11	4.92	-47.28
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CCOC(=O)C1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1	REAL300020212680	1	48	-1.0	-51.99	350.98	6.98	-45.01
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O=C(C1=CC=C(OCC(F)(F)F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212695	0	42	-1.0	-49.96	344.12	5.11	-44.85
O=C(C1=CC=C(OCC(F)(F)F)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212695	1	42	-1.0	-49.94	344.07	5.11	-44.83
CC1=C(Br)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1C	REAL300020212696	0	42	-1.0	-59.65	336.80	5.09	-54.56
CC1=C(Br)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1C	REAL300020212696	1	42	-1.0	-59.70	336.89	5.09	-54.61
CC(C)(C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C(F)(F)F	REAL300020212697	0	48	-1.0	-48.96	367.01	7.83	-41.13
CC(C)(C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C(F)(F)F	REAL300020212697	1	48	-1.0	-48.90	367.03	7.86	-41.04
COC1=CC=C(C(=O)CCCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212698	0	57	-1.0	-58.96	438.51	8.73	-50.23
COC1=CC=C(C(=O)CCCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212698	1	57	-1.0	-58.97	438.56	8.74	-50.23
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020212699	0	39	-1.0	-49.46	313.13	6.49	-42.97
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020212699	1	39	-1.0	-49.50	313.12	6.50	-43.00
CCN1N=NC2=C1CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020212700	0	48	-1.0	-55.99	359.13	5.19	-50.80
CCN1N=NC2=C1CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020212700	1	48	-1.0	-55.97	359.19	5.21	-50.76
O=C(C1=CC2=CC=CC=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212701	0	41	-1.0	-50.86	323.61	5.89	-44.97
O=C(C1=CC2=CC=CC=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212701	1	41	-1.0	-50.84	323.57	5.89	-44.95
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(Br)=N1	REAL300020212702	0	35	-1.0	-45.91	304.60	3.84	-42.07
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(Br)=N1	REAL300020212702	1	35	-1.0	-45.94	304.68	3.86	-42.08
O=C(C1CCCS(=O)(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212703	0	42	-1.0	-50.13	320.38	1.76	-48.37
O=C(C1CCCS(=O)(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212703	1	42	-1.0	-50.17	320.44	1.77	-48.40
O=C(C1=CC=C2C(=C1)CCCCC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212704	0	48	-1.0	-48.09	363.04	7.54	-40.55
O=C(C1=CC=C2C(=C1)CCCCC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212704	1	48	-1.0	-48.11	363.08	7.54	-40.57
CN1C=CC=C1C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212705	0	39	-1.0	-50.51	303.51	5.09	-45.42
CN1C=CC=C1C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212705	1	39	-1.0	-50.53	303.55	5.10	-45.43
O=C(C1=CC=C2OC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212706	0	39	-1.0	-47.85	314.07	3.04	-44.81
O=C(C1=CC=C2OC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212706	1	39	-1.0	-47.89	314.11	3.06	-44.83
O=C(C1=C2CCCC2=CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212707	0	40	-1.0	-51.35	305.47	5.64	-45.71
O=C(C1=C2CCCC2=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212707	1	40	-1.0	-51.35	305.52	5.66	-45.69
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1CC1=CC=NC=C1	REAL300020212708	0	47	-1.0	-48.45	365.81	4.77	-43.68
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1CC1=CC=NC=C1	REAL300020212708	1	47	-1.0	-48.46	365.86	4.77	-43.69
CC1=CC(Br)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020212709	0	39	-1.0	-47.04	330.77	6.99	-40.05
CC1=CC(Br)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020212709	1	39	-1.0	-47.06	330.80	7.00	-40.06
O=C(C1=CC(=O)C2=CC=C(F)C=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212710	0	41	-1.0	-46.19	334.25	5.93	-40.26
O=C(C1=CC(=O)C2=CC=C(F)C=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212710	1	41	-1.0	-46.20	334.30	5.94	-40.26
COCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212711	0	53	-1.0	-46.99	398.59	2.32	-44.67
COCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212711	1	53	-1.0	-46.95	398.65	2.33	-44.62
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212712	0	51	-1.0	-46.95	405.38	6.34	-40.61
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212712	1	51	-1.0	-46.93	405.44	6.36	-40.57
NC(=O)CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CO1	REAL300020212713	0	40	-1.0	-52.09	316.33	0.96	-51.13
NC(=O)CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CO1	REAL300020212713	1	40	-1.0	-52.12	316.31	0.95	-51.17
CC(CNC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212714	0	52	-1.0	-55.44	383.75	3.83	-51.61
CC(CNC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212714	1	52	-1.0	-55.45	383.80	3.83	-51.62
O=C(C(O)C1=CC=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212715	0	39	-1.0	-50.48	300.34	2.06	-48.42
O=C(C(O)C1=CC=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212715	1	39	-1.0	-50.42	300.28	2.05	-48.37
CC(OC1=CC=C(C=O)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212716	0	45	-1.0	-58.63	349.14	6.12	-52.51
CC(OC1=CC=C(C=O)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212716	1	45	-1.0	-58.61	349.19	6.13	-52.48
O=C(C1=CN=C(Cl)C(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212717	0	35	-1.0	-43.03	311.66	4.56	-38.47
O=C(C1=CN=C(Cl)C(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212717	1	35	-1.0	-43.04	311.62	4.56	-38.48
O=C(C1=CC=C2OC(=O)NC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212718	0	38	-1.0	-45.34	304.41	3.00	-42.34
O=C(C1=CC=C2OC(=O)NC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212718	1	38	-1.0	-45.33	304.46	3.00	-42.33
CC(C)C1=CC=C2OC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020212719	0	48	-1.0	-52.35	367.42	7.78	-44.57
CC(C)C1=CC=C2OC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020212719	1	48	-1.0	-52.37	367.45	7.80	-44.57
O=C(C1=C2CCOCC2=CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212720	0	41	-1.0	-50.73	311.96	3.83	-46.90
O=C(C1=C2CCOCC2=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212720	1	41	-1.0	-50.76	312.01	3.85	-46.91
O=C(C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212721	0	51	-1.0	-55.68	399.65	9.71	-45.97
O=C(C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212721	1	51	-1.0	-55.71	399.62	9.69	-46.02
CC1=CN=C(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020212722	0	42	-1.0	-57.53	339.86	1.87	-55.66
CC1=CN=C(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020212722	1	42	-1.0	-57.52	339.92	1.88	-55.64
COCC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020212723	0	39	-1.0	-48.22	318.97	2.17	-46.05
COCC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020212723	1	39	-1.0	-48.21	319.02	2.17	-46.04
O=C(NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1)C1CC1	REAL300020212724	0	46	-1.0	-52.12	363.31	5.54	-46.58
O=C(NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1)C1CC1	REAL300020212724	1	46	-1.0	-52.10	363.27	5.54	-46.56
O=C(C1=CC=C(C(F)(F)F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212725	0	36	-1.0	-44.77	310.82	5.53	-39.24
O=C(C1=CC=C(C(F)(F)F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212725	1	36	-1.0	-44.79	310.89	5.52	-39.27
O=C(NC1=CC=CC=C1)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212726	0	50	-1.0	-58.90	392.28	7.39	-51.51
O=C(NC1=CC=CC=C1)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212726	1	50	-1.0	-58.96	392.31	7.37	-51.59
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(C(C)C)O1	REAL300020212727	0	44	-1.0	-47.69	338.55	4.17	-43.52
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(C(C)C)O1	REAL300020212727	1	44	-1.0	-47.69	338.60	4.18	-43.51
CC(C)(C)CCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212728	0	50	-1.0	-47.92	362.81	7.48	-40.44
CC(C)(C)CCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212728	1	50	-1.0	-47.90	362.86	7.48	-40.42
O=C(COC1=CC=C(CO)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212729	0	44	-1.0	-55.93	345.00	3.44	-52.49
O=C(COC1=CC=C(CO)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212729	1	44	-1.0	-55.92	345.05	3.45	-52.47
O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212730	0	43	-1.0	-53.42	319.73	-2.92	-56.34
O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212730	1	43	-1.0	-53.42	319.77	-2.91	-56.33
NS(=O)(=O)CCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212731	0	46	-1.0	-60.69	364.30	0.80	-59.89
NS(=O)(=O)CCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212731	1	46	-1.0	-60.70	364.35	0.81	-59.89
O=C(C1CSC(C2=CC=CC=C2O)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212732	0	45	-1.0	-51.66	362.11	3.24	-48.42
O=C(C1CSC(C2=CC=CC=C2O)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212732	1	45	-1.0	-51.63	362.17	3.26	-48.37
CN(C)S(=O)(=O)N(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212733	0	45	-1.0	-43.99	350.52	1.34	-42.65
CN(C)S(=O)(=O)N(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212733	1	45	-1.0	-44.00	350.57	1.35	-42.65
NS(=O)(=O)CCCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212734	0	49	-1.0	-56.39	385.80	1.58	-54.81
NS(=O)(=O)CCCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212734	1	49	-1.0	-56.37	385.85	1.59	-54.78
CCCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)S(N)(=O)=O	REAL300020212735	0	43	-1.0	-43.69	328.22	0.14	-43.55
CCCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)S(N)(=O)=O	REAL300020212735	1	43	-1.0	-43.61	328.27	0.14	-43.47
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212736	0	44	-1.0	-52.68	357.16	-0.21	-52.89
CN1C=C(S(N)(=O)=O)C=C1C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212736	1	44	-1.0	-52.71	357.21	-0.20	-52.91
CN1C=NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C21	REAL300020212737	0	41	-1.0	-53.54	321.56	6.71	-46.83
CN1C=NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C21	REAL300020212737	1	41	-1.0	-53.51	321.50	6.70	-46.81
O=C(C1=CN2C=CC(Br)=CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212738	0	39	-1.0	-50.03	327.19	7.38	-42.65
O=C(C1=CN2C=CC(Br)=CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212738	1	39	-1.0	-50.00	327.14	7.37	-42.63
CNS(=O)(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020212739	0	49	-1.0	-52.72	367.39	0.67	-52.05
CNS(=O)(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020212739	1	49	-1.0	-52.74	367.44	0.67	-52.07
O=C(C1=NN2C=CC=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212740	0	38	-1.0	-58.79	301.96	4.78	-54.01
O=C(C1=NN2C=CC=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212740	1	38	-1.0	-58.77	301.90	4.77	-54.00
CC1=CC=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(Cl)N=C12	REAL300020212741	0	44	-1.0	-51.41	353.26	6.99	-44.42
CC1=CC=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(Cl)N=C12	REAL300020212741	1	44	-1.0	-51.38	353.27	6.97	-44.41
CS(=O)(=O)C1=NC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212742	0	40	-1.0	-56.86	330.91	0.89	-55.97
CS(=O)(=O)C1=NC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212742	1	40	-1.0	-56.83	330.85	0.87	-55.96
O=C(C1CCCN(CC(F)F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212743	0	47	-1.0	-48.52	345.69	4.44	-44.08
O=C(C1CCCN(CC(F)F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212743	1	47	-1.0	-48.50	345.75	4.43	-44.07
N#CC1=CC=C(N2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)C(F)=C1	REAL300020212744	0	49	-1.0	-56.43	381.07	5.83	-50.60
N#CC1=CC=C(N2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)C(F)=C1	REAL300020212744	1	49	-1.0	-56.39	381.14	5.84	-50.55
NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC(F)(F)F	REAL300020212745	0	42	-1.0	-49.86	339.96	3.17	-46.69
NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC(F)(F)F	REAL300020212745	1	42	-1.0	-49.87	339.99	3.19	-46.68
CC(C)(C)OC(=O)N1CCOCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212746	0	57	-1.0	-47.42	408.43	4.87	-42.55
CC(C)(C)OC(=O)N1CCOCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212746	1	57	-1.0	-47.45	408.47	4.89	-42.56
N#CC1=CC=C(N2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2)C(F)=C1	REAL300020212747	0	52	-1.0	-52.11	400.91	7.37	-44.74
N#CC1=CC=C(N2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2)C(F)=C1	REAL300020212747	1	52	-1.0	-52.13	400.97	7.38	-44.75
CC1=CC=NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020212748	0	44	-1.0	-50.50	339.17	6.28	-44.22
CC1=CC=NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020212748	1	44	-1.0	-50.48	339.22	6.29	-44.19
CN1C(=O)C2=CC=CC=C2C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212749	0	45	-1.0	-48.53	351.80	6.33	-42.20
CN1C(=O)C2=CC=CC=C2C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212749	1	45	-1.0	-48.61	351.85	6.36	-42.25
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CC1=CSC(C(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212775	1	41	-1.0	-46.02	324.90	4.51	-41.51
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CC(C)CC1=CC=CC(C(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212777	0	54	-1.0	-49.25	398.82	9.54	-39.71
CC(C)CC1=CC=CC(C(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212777	1	54	-1.0	-49.28	398.85	9.55	-39.73
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CC1=NC(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=CS1	REAL300020212781	0	45	-1.0	-50.81	364.41	6.81	-44.00
CC1=NC(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=CS1	REAL300020212781	1	45	-1.0	-50.75	364.37	6.80	-43.95
CN(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020212782	0	52	-1.0	-55.81	389.51	5.80	-50.01
CN(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020212782	1	52	-1.0	-55.80	389.56	5.80	-50.00
CC1=CC(CN2N=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C)=NO1	REAL300020212783	0	47	-1.0	-54.65	371.20	4.79	-49.86
CC1=CC(CN2N=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C)=NO1	REAL300020212783	1	47	-1.0	-54.65	371.25	4.80	-49.85
O=C(C1=CSC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020212784	0	33	-1.0	-51.20	284.34	4.84	-46.36
O=C(C1=CSC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020212784	1	33	-1.0	-51.20	284.36	4.87	-46.33
CC(C)C1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CN1	REAL300020212785	0	43	-1.0	-53.20	322.95	5.38	-47.82
CC(C)C1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CN1	REAL300020212785	1	43	-1.0	-53.20	322.97	5.39	-47.81
COC1=CC(C)=C(Br)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212786	0	43	-1.0	-51.26	345.55	6.48	-44.78
COC1=CC(C)=C(Br)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212786	1	43	-1.0	-51.28	345.55	6.51	-44.77
COC1=CC=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020212787	0	46	-1.0	-56.71	359.00	6.60	-50.11
COC1=CC=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020212787	1	46	-1.0	-56.69	359.06	6.61	-50.08
CCC(C)(C)C1CCC2(CC2C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020212788	0	61	-1.0	-46.74	419.21	9.41	-37.33
CCC(C)(C)C1CCC2(CC2C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020212788	1	61	-1.0	-46.78	419.28	9.41	-37.37
CC1=NC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212789	0	41	-1.0	-50.69	319.54	4.71	-45.98
CC1=NC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212789	1	41	-1.0	-50.72	319.60	4.72	-46.00
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CN1C=CN=C1C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020212790	1	45	-1.0	-58.50	356.06	6.13	-52.37
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CC1=CN=C(S(C)(=O)=O)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212792	0	43	-1.0	-57.89	355.42	0.82	-57.07
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212792	1	43	-1.0	-57.88	355.37	0.81	-57.07
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212793	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	REAL300020212793	1	43	-1.0	-49.08	330.20	7.75	-41.33
O=C(C1=CC([N+](=O)[O-])=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212794	0	38	-1.0	-49.49	311.53	6.05	-43.44
O=C(C1=CC([N+](=O)[O-])=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212794	1	38	-1.0	-49.45	311.51	6.06	-43.39
O=C(C1=C(Cl)C(Cl)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212795	0	32	-1.0	-46.65	296.45	4.13	-42.52
O=C(C1=C(Cl)C(Cl)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212795	1	32	-1.0	-46.68	296.44	4.13	-42.55
O=C(CC1=CC=C2N=CSC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212796	0	41	-1.0	-51.86	338.92	5.43	-46.43
O=C(CC1=CC=C2N=CSC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212796	1	41	-1.0	-51.88	338.86	5.43	-46.45
O=C(C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCCCC1CC1=N[N-]N=N1	REAL300020212797	0	45	-1.0	-51.84	354.16	8.09	-43.75
O=C(C1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCCCC1CC1=NN=N[N-]1	REAL300020212797	1	45	-1.0	-51.82	354.18	8.10	-43.72
CNC1=NC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020212798	0	42	-1.0	-63.19	332.00	4.69	-58.50
CNC1=NC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020212798	1	42	-1.0	-63.16	331.96	4.69	-58.47
O=C(C1=C(Cl)C=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212799	0	33	-1.0	-48.12	287.26	4.88	-43.24
O=C(C1=C(Cl)C=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212799	1	33	-1.0	-48.13	287.28	4.89	-43.24
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212800	0	53	-1.0	-55.11	401.47	9.88	-45.23
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212800	1	53	-1.0	-55.10	401.53	9.89	-45.21
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CN(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL300020212801	1	49	-1.0	-51.53	373.81	6.41	-45.12
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CC(C)C1=NN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020212824	1	40	-1.0	-46.37	323.36	4.10	-42.27
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CCN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1=CC=CC=C1Cl	REAL300020212828	0	50	-1.0	-49.05	381.16	6.96	-42.09
CCN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1=CC=CC=C1Cl	REAL300020212828	1	50	-1.0	-49.04	381.20	6.97	-42.07
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CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020212831	0	52	-1.0	-51.53	395.29	4.68	-46.85
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020212831	1	52	-1.0	-51.52	395.34	4.69	-46.83
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CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1(Cl)Cl	REAL300020212833	0	39	-1.0	-50.27	326.48	5.95	-44.32
CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1(Cl)Cl	REAL300020212833	1	39	-1.0	-50.28	326.55	5.96	-44.32
COCC1=NN(C)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212834	0	43	-1.0	-57.77	341.31	2.62	-55.15
COCC1=NN(C)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212834	1	43	-1.0	-55.51	340.39	3.12	-52.39
COC1=CC=CC=C1OC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020212835	0	50	-1.0	-52.17	392.58	7.20	-44.97
COC1=CC=CC=C1OC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020212835	1	50	-1.0	-52.17	392.53	7.18	-44.99
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020212836	0	36	-1.0	-49.52	297.51	4.13	-45.39
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020212836	1	36	-1.0	-49.52	297.45	4.12	-45.40
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O=C(C1=CC2=CC=NC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212837	1	38	-1.0	-47.76	312.50	4.95	-42.81
CC1(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCOCC1	REAL300020212838	0	47	-1.0	-50.79	339.76	5.15	-45.64
CC1(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCOCC1	REAL300020212838	1	47	-1.0	-50.83	339.81	5.17	-45.66
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1F	REAL300020212839	0	38	-1.0	-46.90	303.85	4.32	-42.58
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1F	REAL300020212839	1	38	-1.0	-46.94	303.81	4.30	-42.64
N#CC1=CC=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212840	0	37	-1.0	-50.58	304.19	5.78	-44.80
N#CC1=CC=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212840	1	37	-1.0	-50.59	304.18	5.80	-44.79
O=C(C1=CC=CC(C2=CN=CO2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212841	0	42	-1.0	-53.37	334.73	3.79	-49.58
O=C(C1=CC=CC(C2=CN=CO2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212841	1	42	-1.0	-53.40	334.69	3.78	-49.62
O=C(C1=CC=C(C2OCCO2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212842	0	45	-1.0	-50.24	347.41	5.04	-45.20
O=C(C1=CC=C(C2OCCO2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212842	1	45	-1.0	-50.25	347.44	5.04	-45.21
O=C(C1=C(O)C2=CC=CC=C2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212843	0	42	-1.0	-57.56	329.73	4.61	-52.95
O=C(C1=C(O)C2=CC=CC=C2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212843	1	42	-1.0	-57.57	329.79	4.63	-52.94
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212843	1	41	-2.0	-125.08	326.24	5.56	-119.52
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212843	1	41	-2.0	-125.06	326.29	5.57	-119.49
CN1C=C(C=O)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212844	0	39	-1.0	-45.10	307.80	4.90	-40.20
CN1C=C(C=O)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212844	1	39	-1.0	-45.10	307.83	4.93	-40.17
CN1C(C=O)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212845	0	39	-1.0	-55.33	300.26	4.41	-50.92
CN1C(C=O)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212845	1	39	-1.0	-55.28	300.31	4.41	-50.87
CC1=NN=C(CN2N=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C)O1	REAL300020212846	0	46	-1.0	-55.14	366.38	-0.40	-55.54
CC1=NN=C(CN2N=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C)O1	REAL300020212846	1	46	-1.0	-55.07	366.43	-0.40	-55.47
CCC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020212847	0	44	-1.0	-52.90	343.29	5.96	-46.94
CCC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020212847	1	44	-1.0	-52.90	343.35	5.97	-46.93
CN1C2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)C(=O)N(C)C1=O	REAL300020212848	0	45	-1.0	-58.28	362.57	5.00	-53.28
CN1C2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)C(=O)N(C)C1=O	REAL300020212848	1	45	-1.0	-58.29	362.62	5.00	-53.29
O=C(C1=CC(F)=C(N2CCOCC2)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212849	0	49	-1.0	-45.44	375.98	4.47	-40.97
O=C(C1=CC(F)=C(N2CCOCC2)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212849	1	49	-1.0	-45.43	376.01	4.48	-40.95
COC1=CC=C(OC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2)C=C1	REAL300020212850	0	50	-1.0	-50.14	391.54	6.55	-43.59
COC1=CC=C(OC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2)C=C1	REAL300020212850	1	50	-1.0	-50.18	391.49	6.53	-43.65
O=C(C(F)=CC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212851	0	43	-1.0	-43.28	351.48	7.82	-35.46
O=C(C(F)=CC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212851	1	43	-1.0	-43.24	351.53	7.83	-35.41
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1=CC=CN=C1	REAL300020212852	0	45	-1.0	-53.48	349.15	5.24	-48.24
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=CC=CN=C1	REAL300020212852	1	45	-1.0	-53.45	349.10	5.21	-48.24
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=C1C(N)=O	REAL300020212853	0	42	-1.0	-52.04	323.92	1.89	-50.15
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=C1C(N)=O	REAL300020212853	1	42	-1.0	-52.08	323.97	1.90	-50.18
COC1=CC=CC(OC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2)=C1	REAL300020212854	0	50	-1.0	-51.82	391.73	6.56	-45.26
COC1=CC=CC(OC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2)=C1	REAL300020212854	1	50	-1.0	-51.81	391.68	6.55	-45.26
CC1CC2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2O1	REAL300020212855	0	44	-1.0	-56.14	334.85	6.00	-50.14
CC1CC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2O1	REAL300020212855	1	44	-1.0	-56.12	334.85	6.00	-50.12
O=C(C1=CN(CC2CC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212856	0	42	-1.0	-48.21	329.41	4.74	-43.47
O=C(C1=CN(CC2CC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212856	1	42	-1.0	-48.20	329.36	4.73	-43.47
O=C(C1=CC2=CC=CN=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212857	0	38	-1.0	-51.89	311.06	4.82	-47.07
O=C(C1=CC2=CC=CN=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212857	1	38	-1.0	-51.89	311.01	4.82	-47.07
O=C(C1=CC2=CC=NC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212858	0	41	-1.0	-49.25	321.01	5.89	-43.36
O=C(C1=CC2=CC=NC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212858	1	41	-1.0	-49.18	320.98	5.89	-43.29
CC1=CC=C(Br)C=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212859	0	42	-1.0	-49.74	341.34	7.59	-42.15
CC1=CC=C(Br)C=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212859	1	42	-1.0	-49.73	341.39	7.61	-42.12
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=C1CCC2	REAL300020212860	0	46	-1.0	-50.77	342.86	7.83	-42.94
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=C1CCC2	REAL300020212860	1	46	-1.0	-50.81	342.85	7.84	-42.97
O=C(C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212861	0	45	-1.0	-47.68	365.30	8.43	-39.25
O=C(C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212861	1	45	-1.0	-47.70	365.34	8.46	-39.24
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C(C)C	REAL300020212862	0	45	-1.0	-54.29	342.59	5.85	-48.44
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C(C)C	REAL300020212862	1	45	-1.0	-54.32	342.65	5.85	-48.47
CN1N=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212863	0	41	-1.0	-48.01	326.19	3.04	-44.97
CN1N=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212863	1	41	-1.0	-48.03	326.25	3.07	-44.96
CCC(CC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212864	0	41	-1.0	-44.06	309.02	5.21	-38.85
CCC(CC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212864	1	41	-1.0	-43.99	309.06	5.23	-38.76
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1C1=CN(C)N=C1	REAL300020212865	0	45	-1.0	-49.61	353.12	3.93	-45.68
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1C1=CN(C)N=C1	REAL300020212865	1	45	-1.0	-49.55	353.08	3.93	-45.62
CC1=NN=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020212866	0	37	-1.0	-53.12	309.12	2.86	-50.26
CC1=NN=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020212866	1	37	-1.0	-53.11	309.18	2.88	-50.23
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020212867	0	43	-1.0	-50.96	348.78	7.91	-43.05
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020212867	1	43	-1.0	-50.93	348.84	7.92	-43.01
CC1=CC=C(F)C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212868	0	42	-1.0	-47.22	329.95	7.16	-40.06
CC1=CC=C(F)C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212868	1	42	-1.0	-47.20	330.00	7.17	-40.03
CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=C1	REAL300020212869	0	42	-1.0	-47.98	347.34	7.23	-40.75
CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=C1	REAL300020212869	1	42	-1.0	-47.98	347.40	7.23	-40.75
O=C(CC1=CC2=CC=CC=C2C(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212870	0	45	-1.0	-56.32	358.73	5.13	-51.19
O=C(CC1=CC2=CC=CC=C2C(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212870	1	45	-1.0	-56.30	358.79	5.13	-51.17
CC1=CN=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212871	0	44	-1.0	-49.12	340.78	6.11	-43.01
CC1=CN=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212871	1	44	-1.0	-49.09	340.83	6.11	-42.98
O=C(CCC1=CN=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212872	0	40	-1.0	-47.79	314.36	5.33	-42.46
O=C(CCC1=CN=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212872	1	40	-1.0	-47.80	314.31	5.31	-42.49
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(C(C)C)=N1	REAL300020212873	0	44	-1.0	-47.84	337.32	3.19	-44.65
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(C(C)C)=N1	REAL300020212873	1	44	-1.0	-47.81	337.38	3.20	-44.61
CC(F)(F)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212874	0	42	-1.0	-48.77	331.33	6.85	-41.92
CC(F)(F)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212874	1	42	-1.0	-48.78	331.33	6.87	-41.91
CC(C)CC(CC(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212875	0	53	-1.0	-47.08	365.89	8.72	-38.36
CC(C)CC(CC(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212875	1	53	-1.0	-47.12	365.95	8.75	-38.37
O=C(CC1COC2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212876	0	45	-1.0	-55.14	350.92	5.94	-49.20
O=C(CC1COC2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212876	1	45	-1.0	-55.14	350.99	5.94	-49.20
O=C(C1=CC=NC(OC(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212877	0	39	-1.0	-49.70	318.17	2.81	-46.89
O=C(C1=CC=NC(OC(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212877	1	39	-1.0	-49.69	318.13	2.81	-46.88
COC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1OC	REAL300020212878	0	47	-1.0	-50.42	383.11	5.94	-44.48
COC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1OC	REAL300020212878	1	47	-1.0	-50.42	383.17	5.97	-44.45
O=C(CCCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CC1	REAL300020212879	0	44	-1.0	-57.15	345.27	6.17	-50.98
O=C(CCCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CC1	REAL300020212879	1	44	-1.0	-57.10	345.33	6.19	-50.91
O=C(C1CC12CCSCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020212880	0	44	-1.0	-47.01	328.60	7.04	-39.97
O=C(C1CC12CCSCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020212880	1	44	-1.0	-46.97	328.64	7.05	-39.92
CC1=NC2=CC=NN2C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212881	0	41	-1.0	-48.71	324.63	5.05	-43.66
CC1=NC2=CC=NN2C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212881	1	41	-1.0	-48.72	324.68	5.06	-43.66
O=C(C1CC1C1=CC=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020212882	0	43	-1.0	-51.24	349.36	7.77	-43.47
O=C(C1CC1C1=CC=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020212882	1	43	-1.0	-51.21	349.42	7.78	-43.43
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2(CC2)C1	REAL300020212883	0	57	-1.0	-50.81	415.28	6.72	-44.09
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2(CC2)C1	REAL300020212883	1	57	-1.0	-50.86	415.33	6.75	-44.11
O=C(C1=CNC2=NC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212884	0	39	-1.0	-51.54	308.36	4.95	-46.59
O=C(C1=CNC2=NC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212884	1	39	-1.0	-51.55	308.41	4.95	-46.60
O=C(C1=CN=C2NC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212884	1	39	-1.0	-51.95	306.26	4.60	-47.35
O=C(C1=CN=C2NC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212884	1	39	-1.0	-51.95	306.30	4.61	-47.34
O=C(C1=CC=C(S(=O)(=O)C2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212885	0	46	-1.0	-50.74	371.29	4.67	-46.07
O=C(C1=CC=C(S(=O)(=O)C2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212885	1	46	-1.0	-50.74	371.32	4.71	-46.03
CC(=O)C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020212886	0	40	-1.0	-57.62	326.90	2.66	-54.96
CC(=O)C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020212886	1	40	-1.0	-57.65	326.97	2.68	-54.97
O=C(C1=C(Br)SC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212887	0	33	-1.0	-50.89	284.18	4.90	-45.99
O=C(C1=C(Br)SC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212887	1	33	-1.0	-50.87	284.16	4.91	-45.96
O=C(C#CC1=CC=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212888	0	35	-1.0	-45.18	305.22	5.79	-39.39
O=C(C#CC1=CC=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212888	1	35	-1.0	-45.19	305.29	5.79	-39.40
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC2=C1OC(F)(F)O2	REAL300020212889	0	42	-1.0	-45.32	337.34	5.17	-40.15
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC2=C1OC(F)(F)O2	REAL300020212889	1	42	-1.0	-45.35	337.39	5.19	-40.16
COC1=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020212890	0	43	-1.0	-50.36	348.81	6.35	-44.01
COC1=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020212890	1	43	-1.0	-50.35	348.86	6.36	-43.99
O=C(C1=CC2=C(CCCC2)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212891	0	44	-1.0	-51.58	325.56	6.17	-45.41
O=C(C1=CC2=C(CCCC2)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212891	1	44	-1.0	-51.58	325.62	6.18	-45.40
O=C(CCC1CCC(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212892	0	43	-1.0	-52.62	331.42	2.54	-50.08
O=C(CCC1CCC(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212892	1	43	-1.0	-52.67	331.49	2.55	-50.12
O=C(CC1=CC=C(O)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212893	0	40	-1.0	-50.67	320.52	3.72	-46.95
O=C(CC1=CC=C(O)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212893	1	40	-1.0	-50.67	320.57	3.73	-46.94
O=C(C(O)C1=CC=C(Cl)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212894	0	40	-1.0	-48.90	336.41	4.80	-44.10
O=C(C(O)C1=CC=C(Cl)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212894	1	40	-1.0	-48.95	336.46	4.82	-44.13
CN1N=C(C(F)(F)F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212895	0	39	-1.0	-43.31	320.10	4.05	-39.26
CN1N=C(C(F)(F)F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212895	1	39	-1.0	-43.32	319.98	4.05	-39.27
O=C(C1CCCCC1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212896	0	42	-1.0	-52.54	314.79	5.77	-46.77
O=C(C1CCCCC1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212896	1	42	-1.0	-52.50	314.75	5.77	-46.73
CC1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1C	REAL300020212897	0	48	-1.0	-44.67	323.45	6.79	-37.88
CC1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1C	REAL300020212897	1	48	-1.0	-44.62	323.49	6.81	-37.81
CC1=CC(F)=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020212898	0	42	-1.0	-48.82	335.44	7.24	-41.58
CC1=CC(F)=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020212898	1	42	-1.0	-48.88	335.49	7.25	-41.63
COC1COCCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212899	0	47	-1.0	-46.96	348.34	3.49	-43.47
COC1COCCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212899	1	47	-1.0	-46.92	348.41	3.50	-43.42
CCCC1CCCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212900	0	48	-1.0	-47.39	349.27	6.82	-40.57
CCCC1CCCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212900	1	48	-1.0	-47.35	349.33	6.83	-40.52
CN1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020212901	0	36	-1.0	-48.91	300.75	3.69	-45.22
CN1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020212901	1	36	-1.0	-48.89	300.65	3.69	-45.20
O=C(C1=CC=C(C(F)(F)F)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212902	0	37	-1.0	-44.71	304.77	4.54	-40.17
O=C(C1=CC=C(C(F)(F)F)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212902	1	37	-1.0	-44.71	304.81	4.55	-40.16
CC(C)(C)C(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212903	0	51	-1.0	-57.34	391.04	5.92	-51.42
CC(C)(C)C(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212903	1	51	-1.0	-57.35	391.01	5.91	-51.44
CC1=CC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020212904	0	42	-1.0	-40.88	339.96	7.64	-33.24
CC1=CC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020212904	1	42	-1.0	-40.87	340.01	7.65	-33.22
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1Cl	REAL300020212905	0	39	-1.0	-50.23	325.30	6.85	-43.38
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1Cl	REAL300020212905	1	39	-1.0	-50.26	325.32	6.84	-43.42
CCOC1=NOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212906	0	39	-1.0	-44.66	309.05	1.91	-42.75
CCOC1=NOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212906	1	39	-1.0	-44.67	308.99	1.90	-42.77
CC(C)(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)[N+](=O)[O-]	REAL300020212907	0	43	-1.0	-54.03	326.12	5.48	-48.55
CC(C)(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)[N+](=O)[O-]	REAL300020212907	1	43	-1.0	-54.03	326.17	5.49	-48.54
CC(C)(C)C(=O)CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212908	0	49	-1.0	-58.10	366.65	6.75	-51.35
CC(C)(C)C(=O)CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212908	1	49	-1.0	-58.12	366.70	6.76	-51.36
O=C(C1=C2CCCCC2=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212909	0	42	-1.0	-46.23	316.20	5.37	-40.86
O=C(C1=C2CCCCC2=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212909	1	42	-1.0	-46.28	316.25	5.39	-40.89
O=C(CC1CC(=O)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212910	0	39	-1.0	-58.81	308.26	1.96	-56.85
O=C(CC1CC(=O)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212910	1	39	-1.0	-58.81	308.32	1.96	-56.85
NC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N1	REAL300020212911	0	38	-1.0	-49.79	301.01	0.33	-49.46
NC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N1	REAL300020212911	1	38	-1.0	-49.79	301.07	0.34	-49.45
O=C(C1=C2C=CNC2=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212912	0	39	-1.0	-56.38	305.79	4.23	-52.15
O=C(C1=C2C=CNC2=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212912	1	39	-1.0	-56.41	305.84	4.25	-52.16
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212913	0	45	-1.0	-46.90	372.66	3.77	-43.13
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212913	1	45	-1.0	-46.89	372.73	3.76	-43.13
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC2=CC=CC=C21	REAL300020212914	0	45	-1.0	-49.31	346.21	7.59	-41.72
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC2=CC=CC=C21	REAL300020212914	1	45	-1.0	-49.30	346.26	7.59	-41.71
CC(OCCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212915	0	49	-1.0	-53.42	374.38	7.78	-45.64
CC(OCCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212915	1	49	-1.0	-53.38	374.43	7.78	-45.60
N#CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020212916	0	34	-1.0	-47.22	290.59	4.93	-42.29
N#CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020212916	1	34	-1.0	-47.19	290.64	4.94	-42.25
C=CCOC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212917	0	47	-1.0	-49.24	367.09	7.27	-41.97
C=CCOC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212917	1	47	-1.0	-49.19	367.14	7.27	-41.92
O=C(C1=CC(Cl)=NC(OC(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212918	0	39	-1.0	-48.03	332.47	3.20	-44.83
O=C(C1=CC(Cl)=NC(OC(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212918	1	39	-1.0	-48.03	332.43	3.18	-44.85
O=C(C1=CC=CC2=C1CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020212919	0	46	-1.0	-50.34	337.87	7.91	-42.43
O=C(C1=CC=CC2=C1CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020212919	1	46	-1.0	-50.32	337.93	7.94	-42.38
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300020212920	0	46	-1.0	-55.67	367.32	2.75	-52.92
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300020212920	1	46	-1.0	-55.64	367.36	2.77	-52.87
COC(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212921	0	46	-1.0	-52.57	352.77	6.81	-45.76
COC(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212921	1	46	-1.0	-52.57	352.82	6.82	-45.75
O=C(C1=CC=C2OC(F)(F)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212922	0	39	-1.0	-45.06	319.72	4.48	-40.58
O=C(C1=CC=C2OC(F)(F)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212922	1	39	-1.0	-45.08	319.75	4.50	-40.58
CCCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=C1	REAL300020212923	0	50	-1.0	-52.33	379.08	6.30	-46.03
CCCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=C1	REAL300020212923	1	50	-1.0	-52.30	379.05	6.32	-45.98
CCOC(=O)C1=C(C)NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212924	0	46	-1.0	-49.97	360.03	5.70	-44.27
CCOC(=O)C1=C(C)NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212924	1	46	-1.0	-50.00	360.08	5.70	-44.30
CC(=O)NC[C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC(C)C	REAL300020212925	0	54	-1.0	-43.78	399.55	5.02	-38.76
CC(=O)NC[C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC(C)C	REAL300020212925	1	54	-1.0	-43.79	399.59	5.04	-38.75
O=C(C1CCC1C1=CC=C(Cl)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212926	0	46	-1.0	-44.04	356.00	8.36	-35.68
O=C(C1CCC1C1=CC=C(Cl)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212926	1	46	-1.0	-44.10	356.07	8.37	-35.73
CCOCC1=NC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020212927	0	45	-1.0	-49.84	359.09	4.07	-45.77
CCOCC1=NC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020212927	1	45	-1.0	-49.86	359.40	4.08	-45.78
O=C(C1=COC2=C1C(=O)CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020212928	0	42	-1.0	-68.60	327.34	5.48	-63.12
O=C(C1=COC2=C1C(=O)CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020212928	1	42	-1.0	-68.58	327.45	5.49	-63.09
O=C(CC1=NC(C2=CC=CC=C2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212929	0	45	-1.0	-52.22	371.09	6.85	-45.37
O=C(CC1=NC(C2=CC=CC=C2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212929	1	45	-1.0	-52.24	371.03	6.82	-45.42
CC=CCOC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212930	0	50	-1.0	-50.37	389.24	8.16	-42.21
CC=CCOC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212930	1	50	-1.0	-50.37	389.29	8.18	-42.19
CN(C)C1=NC(Cl)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020212931	0	40	-1.0	-51.18	337.02	4.61	-46.57
CN(C)C1=NC(Cl)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020212931	1	40	-1.0	-51.16	336.96	4.61	-46.55
O=C(OCC1=CC=CC=C1)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N1	REAL300020212932	0	50	-1.0	-47.57	402.28	8.17	-39.40
O=C(OCC1=CC=CC=C1)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N1	REAL300020212932	1	50	-1.0	-47.57	402.33	8.17	-39.40
O=C(C1=NN(CCC2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212933	0	49	-1.0	-53.10	384.23	8.42	-44.68
O=C(C1=NN(CCC2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212933	1	49	-1.0	-53.10	384.18	8.40	-44.70
O=C(C1CCN(C2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212934	0	48	-1.0	-48.02	357.02	5.54	-42.48
O=C(C1CCN(C2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212934	1	48	-1.0	-48.07	357.09	5.56	-42.51
O=C(C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212935	0	45	-1.0	-46.52	366.15	6.39	-40.13
O=C(C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212935	1	45	-1.0	-46.51	366.20	6.40	-40.11
CC1=NN=NN1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020212936	0	44	-1.0	-56.12	350.61	5.43	-50.69
CC1=NN=NN1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020212936	1	44	-1.0	-56.11	350.60	5.45	-50.66
O=C(CC1=C(C2=CC=CC=C2)N=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212937	0	45	-1.0	-49.95	363.75	6.46	-43.49
O=C(CC1=C(C2=CC=CC=C2)N=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212937	1	45	-1.0	-49.95	363.68	6.45	-43.50
O=C(C1=NN2CCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212938	0	40	-1.0	-55.70	304.91	4.66	-51.04
O=C(C1=NN2CCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212938	1	40	-1.0	-55.72	304.97	4.66	-51.06
O=C(C1=CC=NN1CC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212939	0	39	-1.0	-47.56	317.43	4.38	-43.18
O=C(C1=CC=NN1CC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212939	1	39	-1.0	-47.59	317.25	4.37	-43.22
COC(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212940	0	45	-1.0	-49.45	357.63	7.12	-42.33
COC(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212940	1	45	-1.0	-49.39	357.69	7.12	-42.27
COC1=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1O	REAL300020212941	0	44	-1.0	-51.30	343.54	3.62	-47.68
COC1=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1O	REAL300020212941	1	44	-1.0	-51.29	343.59	3.64	-47.65
CC(OCC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212942	0	46	-1.0	-54.36	359.30	7.07	-47.29
CC(OCC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212942	1	46	-1.0	-54.37	359.34	7.08	-47.29
O=C(C1=C2CCCN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212943	0	40	-1.0	-51.95	305.63	3.93	-48.02
O=C(C1=C2CCCN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212943	1	40	-1.0	-51.94	305.67	3.94	-48.00
C[Si](C)(C)CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212944	0	47	-1.0	-49.78	358.05	8.85	-40.93
C[Si](C)(C)CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212944	1	47	-1.0	-49.78	358.09	8.85	-40.93
O=C(C1=CC=C(C(F)(F)F)C(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212945	0	39	-1.0	-46.18	321.40	3.83	-42.35
O=C(C1=CC=C(C(F)(F)F)C(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212945	1	39	-1.0	-46.13	321.43	3.85	-42.28
O=C(CCC1=CC=CC=C1N1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212946	0	55	-1.0	-47.78	414.66	6.31	-41.47
O=C(CCC1=CC=CC=C1N1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212946	1	55	-1.0	-47.74	414.70	6.33	-41.41
O=C(C1=CN=C(F)C(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212947	0	35	-1.0	-42.82	302.42	4.10	-38.72
O=C(C1=CN=C(F)C(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212947	1	35	-1.0	-42.85	302.39	4.10	-38.75
CN1C=C(C=C(C#N)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212948	0	41	-1.0	-51.07	331.47	4.36	-46.71
CN1C=C(C=C(C#N)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212948	1	41	-1.0	-51.08	331.53	4.36	-46.72
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212949	0	49	-1.0	-50.92	378.96	6.79	-44.13
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212949	1	49	-1.0	-50.89	379.01	6.80	-44.09
O=C(C1CCC2=NC=CN2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212950	0	43	-1.0	-47.91	320.81	5.64	-42.27
O=C(C1CCC2=NC=CN2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212950	1	43	-1.0	-47.88	320.86	5.65	-42.23
N#CC1=C(F)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020212951	0	37	-1.0	-43.10	312.74	5.84	-37.26
N#CC1=C(F)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020212951	1	37	-1.0	-43.12	312.78	5.86	-37.26
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212952	0	43	-1.0	-49.10	333.24	6.94	-42.16
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212952	1	43	-1.0	-49.08	333.29	6.94	-42.14
O=C(C1=CN(CC(O)CO)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212953	0	44	-1.0	-57.29	345.88	-1.75	-59.04
O=C(C1=CN(CC(O)CO)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212953	1	44	-1.0	-57.24	345.84	-1.76	-59.00
O=C(C1=NN(CCN2C=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212954	0	46	-1.0	-55.52	365.21	5.62	-49.90
O=C(C1=NN(CCN2C=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212954	1	46	-1.0	-55.50	365.16	5.62	-49.88
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212955	0	58	-1.0	-40.25	411.10	8.21	-32.04
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212955	1	58	-1.0	-40.23	411.13	8.21	-32.02
CCN1N=C(C)C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020212956	0	48	-1.0	-52.59	371.63	5.74	-46.85
CCN1N=C(C)C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020212956	1	48	-1.0	-52.56	371.69	5.77	-46.79
O=C(C1=CC2=CC=CC(F)=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212957	0	41	-1.0	-51.12	327.65	5.78	-45.34
O=C(C1=CC2=CC=CC(F)=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212957	1	41	-1.0	-51.12	327.60	5.76	-45.36
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C	REAL300020212958	0	42	-1.0	-48.04	324.40	4.68	-43.36
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C	REAL300020212958	1	42	-1.0	-48.08	324.43	4.70	-43.38
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212959	0	43	-1.0	-49.63	361.39	8.58	-41.05
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212959	1	43	-1.0	-49.53	361.47	8.59	-40.94
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212960	0	51	-1.0	-53.06	391.21	6.40	-46.66
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212960	1	51	-1.0	-53.05	391.27	6.43	-46.62
CSC1=NC=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212961	0	38	-1.0	-48.12	331.36	5.08	-43.04
CSC1=NC=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212961	1	38	-1.0	-48.14	331.36	5.06	-43.08
O=C(C1=C2OCCCN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212962	0	41	-1.0	-55.50	314.21	2.39	-53.11
O=C(C1=C2OCCCN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212962	1	41	-1.0	-55.51	314.17	2.38	-53.13
O=C(C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212963	0	49	-1.0	-50.13	389.70	8.81	-41.32
O=C(C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212963	1	49	-1.0	-50.11	389.77	8.82	-41.29
COC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212964	0	43	-1.0	-49.21	345.35	6.26	-42.95
COC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212964	1	43	-1.0	-49.21	345.31	6.28	-42.93
CCC1=C(Br)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020212965	0	39	-1.0	-50.36	331.86	6.71	-43.65
CCC1=C(Br)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020212965	1	39	-1.0	-50.36	331.91	6.74	-43.62
CC1=CC(C#N)=CN=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212966	0	39	-1.0	-51.38	318.11	4.77	-46.61
CC1=CC(C#N)=CN=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212966	1	39	-1.0	-51.37	318.06	4.76	-46.61
CC1=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020212967	0	43	-1.0	-48.11	338.36	7.62	-40.49
CC1=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020212967	1	43	-1.0	-48.15	338.42	7.62	-40.53
COC1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020212968	0	46	-1.0	-52.56	332.37	4.78	-47.78
COC1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212968	1	46	-1.0	-52.58	332.41	4.79	-47.79
O=C(CC1=CSC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020212969	0	36	-1.0	-46.75	312.38	5.95	-40.80
O=C(CC1=CSC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020212969	1	36	-1.0	-46.75	312.40	5.96	-40.79
O=C(C1=CN(CCC2=CC=CC=C2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212970	0	48	-1.0	-47.53	379.81	6.94	-40.59
O=C(C1=CN(CCC2=CC=CC=C2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212970	1	48	-1.0	-47.55	379.76	6.93	-40.62
O=C(C1CCC(OCC2CCCO2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212971	0	57	-1.0	-49.96	414.30	6.18	-43.78
O=C(C1CCC(OCC2CCCO2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212971	1	57	-1.0	-49.95	414.35	6.20	-43.75
CCOC1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212972	0	40	-1.0	-46.26	313.74	0.90	-45.36
CCOC1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212972	1	40	-1.0	-46.29	313.79	0.91	-45.38
O=C(C1=CC=C2C(=C1)NC(=O)CNC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212973	0	45	-1.0	-52.94	356.77	1.56	-51.38
O=C(C1=CC=C2C(=C1)NC(=O)CNC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212973	1	45	-1.0	-52.93	356.81	1.57	-51.36
CN(C)C1=CC(Br)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212974	0	44	-1.0	-49.39	355.03	6.56	-42.83
CN(C)C1=CC(Br)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212974	1	44	-1.0	-49.39	355.07	6.57	-42.82
CN(C)C1=CC(C#N)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212975	0	45	-1.0	-48.68	348.96	6.08	-42.60
CN(C)C1=CC(C#N)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212975	1	45	-1.0	-48.67	349.00	6.09	-42.58
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1C1=NN(C)C=C1	REAL300020212976	0	45	-1.0	-53.36	354.29	5.10	-48.26
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1C1=NN(C)C=C1	REAL300020212976	1	45	-1.0	-53.31	354.23	5.09	-48.22
O=C(C1CCC2=CN=CN2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212977	0	43	-1.0	-47.89	320.55	6.40	-41.49
O=C(C1CCC2=CN=CN2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212977	1	43	-1.0	-47.95	320.37	6.38	-41.57
C[NH+](C)CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212978	0	51	0.0	-74.78	378.99	8.07	-66.71
C[NH+](C)CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212978	1	51	0.0	-74.73	378.99	8.09	-66.64
O=C(C1CC2=CC=CC=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212979	0	43	-1.0	-46.90	325.29	7.06	-39.84
O=C(C1CC2=CC=CC=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212979	1	43	-1.0	-46.89	325.35	7.07	-39.82
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CCN(C2=CC=CC=C2)CC1	REAL300020212980	0	52	-1.0	-45.28	383.85	5.15	-40.13
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCN(C2=CC=CC=C2)CC1	REAL300020212980	1	52	-1.0	-45.37	383.91	5.16	-40.21
O=C(C1=NC=CN2C=CN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020212981	0	38	-1.0	-61.24	300.68	5.10	-56.14
O=C(C1=NC=CN2C=CN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020212981	1	38	-1.0	-61.21	300.62	5.07	-56.14
CC(C)(C)N1C=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212982	0	44	-1.0	-58.05	336.16	6.52	-51.53
CC(C)(C)N1C=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212982	1	44	-1.0	-58.03	336.10	6.50	-51.53
CCCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020212983	0	41	-1.0	-48.03	319.09	5.68	-42.35
CCCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020212983	1	41	-1.0	-48.01	319.14	5.69	-42.32
COC1=CC=CC(C(=O)CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212984	0	51	-1.0	-62.89	400.56	6.81	-56.08
COC1=CC=CC(C(=O)CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212984	1	51	-1.0	-62.85	400.62	6.82	-56.03
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL300020212985	0	44	-1.0	-53.05	344.89	5.19	-47.86
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL300020212985	1	44	-1.0	-53.06	344.86	5.18	-47.88
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020212986	0	43	-2.0	-130.27	360.73	5.66	-124.61
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020212986	1	43	-2.0	-130.25	360.79	5.66	-124.59
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020212987	0	43	-2.0	-129.14	353.43	5.20	-123.94
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020212987	1	43	-2.0	-129.23	353.46	5.22	-124.01
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C(F)(F)F)=N1	REAL300020212988	0	38	-1.0	-44.74	324.16	4.42	-40.32
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C(F)(F)F)=N1	REAL300020212988	1	38	-1.0	-44.75	324.22	4.43	-40.32
NC1=NC(Cl)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212989	0	37	-1.0	-45.35	303.35	3.06	-42.29
NC1=NC(Cl)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212989	1	37	-1.0	-45.34	303.30	3.05	-42.29
O=C(CC1=CNC2=CC=CC(Cl)=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020212990	0	43	-1.0	-49.72	347.85	6.92	-42.80
O=C(CC1=CNC2=CC=CC(Cl)=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020212990	1	43	-1.0	-49.72	347.89	6.94	-42.78
CCC1=CC=C(C#CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212991	0	44	-1.0	-45.90	358.68	8.19	-37.71
CCC1=CC=C(C#CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212991	1	44	-1.0	-45.91	358.74	8.21	-37.70
N#CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL300020212992	0	39	-1.0	-42.76	332.30	4.75	-38.01
N#CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL300020212992	1	39	-1.0	-42.75	332.27	4.74	-38.01
CC(C)C(=O)NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020212993	0	48	-1.0	-52.09	372.05	5.42	-46.67
CC(C)C(=O)NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020212993	1	48	-1.0	-52.11	372.02	5.41	-46.70
O=C(C1=CC=C(OC(F)F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212994	0	40	-1.0	-48.55	325.30	5.03	-43.52
O=C(C1=CC=C(OC(F)F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212994	1	40	-1.0	-48.54	325.32	5.04	-43.50
CC1CCCN(C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=N2)C1	REAL300020212995	0	53	-1.0	-48.75	393.63	6.81	-41.94
CC1CCCN(C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=N2)C1	REAL300020212995	1	53	-1.0	-48.68	393.58	6.81	-41.87
CN1C=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212996	0	36	-1.0	-52.40	300.73	4.40	-48.00
CN1C=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212996	1	36	-1.0	-52.36	300.68	4.40	-47.96
O=C(C1=CC=CC([N+](=O)[O-])=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020212997	0	38	-1.0	-52.06	315.85	6.32	-45.74
O=C(C1=CC=CC([N+](=O)[O-])=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020212997	1	38	-1.0	-52.05	315.80	6.33	-45.72
CN(CC=CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC(F)(F)F	REAL300020212998	0	44	-1.0	-50.58	346.97	4.13	-46.45
CN(CC=CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC(F)(F)F	REAL300020212998	1	44	-1.0	-50.62	347.02	4.14	-46.48
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300020212999	0	45	-1.0	-49.07	343.64	5.52	-43.55
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300020212999	1	45	-1.0	-49.09	343.66	5.53	-43.56
CC1(C)C(=O)NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020213000	0	47	-1.0	-49.29	363.39	4.88	-44.41
CC1(C)C(=O)NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020213000	1	47	-1.0	-49.30	363.43	4.88	-44.42
CC(C)(C)CCC1(O)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213001	0	55	-1.0	-46.22	400.98	5.04	-41.18
CC(C)(C)CCC1(O)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213001	1	55	-1.0	-46.22	401.04	5.07	-41.15
O=C(C1=C(C2=CC=CC=C2)N=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213002	0	42	-1.0	-52.14	335.16	3.90	-48.24
O=C(C1=C(C2=CC=CC=C2)N=CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213002	1	42	-1.0	-52.10	335.11	3.89	-48.21
CS(=O)(=O)CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020213003	0	48	-1.0	-51.28	374.75	4.31	-46.97
CS(=O)(=O)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020213003	1	48	-1.0	-51.30	374.77	4.34	-46.96
CCOC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020213004	0	44	-1.0	-47.50	349.98	6.02	-41.48
CCOC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020213004	1	44	-1.0	-47.52	349.93	6.02	-41.50
CC1=CC(Cl)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020213005	0	41	-1.0	-45.13	334.03	7.03	-38.10
CC1=CC(Cl)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020213005	1	41	-1.0	-45.05	334.05	7.04	-38.01
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020213006	0	46	-1.0	-46.83	372.91	7.74	-39.09
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020213006	1	46	-1.0	-46.77	372.96	7.75	-39.02
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CCCCC3CC3=N[N-]N=N3)[C@H]2C1	REAL300020213007	0	54	-1.0	-50.58	403.89	6.63	-43.95
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CCCCC3CC3=NN=N[N-]3)[C@H]2C1	REAL300020213007	1	54	-1.0	-50.62	403.95	6.66	-43.96
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1OCCC2=C1C=CS2	REAL300020213008	0	47	-1.0	-51.58	356.85	6.98	-44.60
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1OCCC2=C1C=CS2	REAL300020213008	1	47	-1.0	-51.54	356.88	6.98	-44.56
O=C(C1=NOC(CN2CCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213009	0	47	-1.0	-47.65	357.01	3.98	-43.67
O=C(C1=NOC(CN2CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213009	1	47	-1.0	-47.73	357.06	3.98	-43.75
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213009	1	48	0.0	-67.52	359.55	6.53	-60.99
CN1C=NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020213010	0	42	-1.0	-56.25	328.55	6.71	-49.54
CN1C=NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020213010	1	42	-1.0	-56.25	328.52	6.69	-49.56
O=C(C1=CC(Cl)=C(F)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213011	0	36	-1.0	-43.60	314.27	6.38	-37.22
O=C(C1=CC(Cl)=C(F)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213011	1	36	-1.0	-43.58	314.26	6.40	-37.18
COC1=CC(Cl)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213012	0	40	-1.0	-48.46	328.48	5.37	-43.09
COC1=CC(Cl)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213012	1	40	-1.0	-48.46	328.52	5.38	-43.08
C#CCCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213013	0	45	-1.0	-49.25	356.69	6.87	-42.38
C#CCCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213013	1	45	-1.0	-49.30	356.69	6.90	-42.40
CCN1N=C(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213014	0	41	-1.0	-48.30	316.94	3.55	-44.75
CCN1N=C(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213014	1	41	-1.0	-48.26	316.99	3.56	-44.70
O=C(COC1=CC=C(Cl)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213015	0	40	-1.0	-48.52	334.60	6.63	-41.89
O=C(COC1=CC=C(Cl)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213015	1	40	-1.0	-48.52	334.65	6.63	-41.89
COC1=CC=CC(N2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=N2)=C1	REAL300020213016	0	46	-1.0	-49.87	362.59	4.97	-44.90
COC1=CC=CC(N2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=N2)=C1	REAL300020213016	1	46	-1.0	-49.88	362.54	4.95	-44.93
O=C(C1=C(Cl)SC(Cl)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213017	0	32	-1.0	-45.36	293.80	4.38	-40.98
O=C(C1=C(Cl)SC(Cl)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213017	1	32	-1.0	-45.33	293.74	4.37	-40.96
O=C(CC1=CN=CC(O)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213018	0	39	-1.0	-53.03	309.15	1.85	-51.18
O=C(CC1=CN=CC(O)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213018	1	39	-1.0	-53.02	309.21	1.86	-51.16
O=C(CCN1C(=O)CCNC1=S)N1CCCCC1CC1=N[N-]N=N1	REAL300020213019	0	44	-1.0	-65.20	348.65	4.59	-60.61
O=C(CCN1C(=O)CCNC1=S)N1CCCCC1CC1=NN=N[N-]1	REAL300020213019	1	44	-1.0	-65.20	348.70	4.60	-60.60
NS(=O)(=O)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213020	0	46	-1.0	-57.44	349.41	-0.53	-57.97
NS(=O)(=O)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213020	1	46	-1.0	-57.48	349.46	-0.51	-57.99
CN1C=NN(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020213021	0	42	-1.0	-55.59	337.56	5.04	-50.55
CN1C=NN(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020213021	1	42	-1.0	-55.58	337.62	5.07	-50.51
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213022	0	43	-1.0	-48.83	350.96	-0.48	-49.31
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213022	1	43	-1.0	-48.87	351.00	-0.47	-49.34
O=C(C1=CC=NC(C2=NC=CN2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213023	0	42	-1.0	-53.70	335.47	4.06	-49.64
O=C(C1=CC=NC(C2=NC=CN2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213023	1	42	-1.0	-53.70	335.51	4.06	-49.64
O=C(CN1N=NC2=C1CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213024	0	45	-1.0	-56.46	345.71	4.44	-52.02
O=C(CN1N=NC2=C1CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213024	1	45	-1.0	-56.41	345.78	4.44	-51.97
CC1=NC=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213025	0	43	-1.0	-47.20	340.12	4.85	-42.35
CC1=NC=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213025	1	43	-1.0	-47.20	340.18	4.85	-42.35
O=C(CCN1C=NC=CC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213026	0	41	-1.0	-59.43	323.06	5.25	-54.18
O=C(CCN1C=NC=CC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213026	1	41	-1.0	-59.43	323.00	5.25	-54.18
CC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020213027	0	38	-1.0	-53.74	312.66	4.97	-48.77
CC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020213027	1	38	-1.0	-53.76	312.70	4.97	-48.79
O=C(CC1CCCS(=O)(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213028	0	45	-1.0	-63.14	345.58	2.49	-60.65
O=C(CC1CCCS(=O)(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213028	1	45	-1.0	-63.09	345.65	2.51	-60.58
COC1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020213029	0	38	-1.0	-54.14	300.17	2.64	-51.50
COC1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020213029	1	38	-1.0	-54.13	300.12	2.63	-51.50
COCCOCCC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1	REAL300020213030	0	50	-1.0	-52.20	391.15	3.55	-48.65
COCCOCCC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1	REAL300020213030	1	50	-1.0	-52.22	391.20	3.57	-48.65
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N2C=C(Cl)C=CC2=N1	REAL300020213031	0	45	-1.0	-50.00	369.41	7.79	-42.21
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N2C=C(Cl)C=CC2=N1	REAL300020213031	1	45	-1.0	-49.99	369.46	7.80	-42.19
O=C(C1CC2CCC1CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213032	0	46	-1.0	-47.19	321.18	6.24	-40.95
O=C(C1CC2CCC1CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213032	1	46	-1.0	-47.23	321.23	6.26	-40.97
COCN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213033	0	40	-1.0	-51.92	313.82	2.44	-49.48
COCN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213033	1	40	-1.0	-51.96	313.77	2.43	-49.53
CC(OCC1=CC=NC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213034	0	45	-1.0	-53.33	353.11	5.01	-48.32
CC(OCC1=CC=NC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213034	1	45	-1.0	-53.33	353.17	5.02	-48.31
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CN1C(C)C	REAL300020213035	0	46	-1.0	-52.04	342.48	7.02	-45.02
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CN1C(C)C	REAL300020213035	1	46	-1.0	-52.04	342.56	7.05	-44.99
O=C(C1=CC2=C(F)C=CC(F)=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213036	0	41	-1.0	-49.37	333.25	5.82	-43.55
O=C(C1=CC2=C(F)C=CC(F)=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213036	1	41	-1.0	-49.35	333.19	5.81	-43.54
O=C(CC1=CNC2=CN=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020213037	0	42	-1.0	-54.43	329.76	4.76	-49.67
O=C(CC1=CNC2=CN=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020213037	1	42	-1.0	-54.45	329.81	4.76	-49.69
O=C(C1CCCN(C2=CC=CC=C2)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213038	0	50	-1.0	-48.71	373.31	7.40	-41.31
O=C(C1CCCN(C2=CC=CC=C2)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213038	1	50	-1.0	-48.71	373.36	7.42	-41.29
NC(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213039	0	46	-1.0	-51.91	363.91	3.68	-48.23
NC(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213039	1	46	-1.0	-51.90	363.97	3.70	-48.20
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N(C(=O)OC(C)(C)C)C1CC1	REAL300020213040	0	56	-1.0	-46.54	403.89	6.86	-39.68
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N(C(=O)OC(C)(C)C)C1CC1	REAL300020213040	1	56	-1.0	-46.53	403.95	6.88	-39.65
O=C(C1=NC=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213041	0	35	-1.0	-50.71	285.59	4.97	-45.74
O=C(C1=NC=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213041	1	35	-1.0	-50.77	285.53	4.96	-45.81
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC2=CC=C(C#N)C=C12	REAL300020213042	0	43	-1.0	-50.16	352.64	8.05	-42.11
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC2=CC=C(C#N)C=C12	REAL300020213042	1	43	-1.0	-50.18	352.65	8.05	-42.13
CC(C)(C)OC(=O)N1CCCC1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213043	0	59	-1.0	-57.15	437.42	7.02	-50.13
CC(C)(C)OC(=O)N1CCCC1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213043	1	59	-1.0	-57.11	437.49	7.04	-50.07
O=C(C1=NN2CCCNC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213044	0	41	-1.0	-58.58	313.70	5.19	-53.39
O=C(C1=NN2CCCNC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213044	1	41	-1.0	-58.56	313.65	5.19	-53.37
O=C(C1=CN2C(Br)=CN=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213045	0	36	-1.0	-45.04	318.76	5.72	-39.32
O=C(C1=CN2C(Br)=CN=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213045	1	36	-1.0	-45.04	318.70	5.71	-39.33
O=C(C1=C(C2CC2)OC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213046	0	39	-1.0	-49.83	304.33	3.75	-46.08
O=C(C1=C(C2CC2)OC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213046	1	39	-1.0	-49.87	304.27	3.73	-46.14
COCCOCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213047	0	50	-1.0	-53.37	388.69	5.28	-48.09
COCCOCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213047	1	50	-1.0	-53.42	388.70	5.30	-48.12
O=C(C1CCC2=CC=CC(O)=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213048	0	44	-1.0	-56.44	336.83	4.61	-51.83
O=C(C1CCC2=CC=CC(O)=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213048	1	44	-1.0	-56.43	336.89	4.61	-51.82
CN1C=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213049	0	42	-1.0	-49.18	332.15	4.57	-44.61
CN1C=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213049	1	42	-1.0	-49.20	332.21	4.60	-44.60
O=C(C1=CC=C2C(=O)CCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213050	0	45	-1.0	-50.89	344.82	6.98	-43.91
O=C(C1=CC=C2C(=O)CCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213050	1	45	-1.0	-50.87	344.85	7.00	-43.87
COC1CCCCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213051	0	46	-1.0	-50.23	331.06	5.43	-44.80
COC1CCCCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213051	1	46	-1.0	-50.26	331.12	5.45	-44.81
O=C(C1=CC=CC(F)=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020213052	0	36	-1.0	-49.34	301.58	5.93	-43.41
O=C(C1=CC=CC(F)=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020213052	1	36	-1.0	-49.34	301.54	5.94	-43.40
O=C(C1=CC(F)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213053	0	36	-1.0	-47.04	298.14	5.89	-41.15
O=C(C1=CC(F)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213053	1	36	-1.0	-47.04	298.14	5.90	-41.14
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213054	0	47	-1.0	-48.54	373.56	5.97	-42.57
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213054	1	47	-1.0	-48.52	373.60	5.98	-42.54
O=C(C1=CN(C2=CC=NC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213055	0	42	-1.0	-48.90	331.37	4.79	-44.11
O=C(C1=CN(C2=CC=NC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213055	1	42	-1.0	-48.89	331.34	4.77	-44.12
O=C(C1=NOC(CN2C=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213056	0	42	-1.0	-56.60	338.48	5.14	-51.46
O=C(C1=NOC(CN2C=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213056	1	42	-1.0	-56.66	338.53	5.13	-51.53
CC(C)N1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020213057	0	41	-1.0	-47.81	316.83	3.72	-44.09
CC(C)N1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020213057	1	41	-1.0	-47.82	316.78	3.71	-44.11
CC1=CC=C2SN=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020213058	0	41	-1.0	-50.03	327.70	6.60	-43.43
CC1=CC=C2SN=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020213058	1	41	-1.0	-50.06	327.65	6.59	-43.47
NC1=CC=CC=C1S(=O)(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213059	0	46	-1.0	-49.00	367.67	0.33	-48.67
NC1=CC=CC=C1S(=O)(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213059	1	46	-1.0	-49.05	367.72	0.34	-48.71
O=C(CCC1=NC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213060	0	40	-1.0	-49.79	319.30	4.08	-45.71
O=C(CCC1=NC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213060	1	40	-1.0	-49.76	319.36	4.10	-45.66
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020213061	0	42	-1.0	-45.85	335.58	7.39	-38.46
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020213061	1	42	-1.0	-45.86	335.60	7.42	-38.44
O=C(C1=CC2=CN=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213062	0	38	-1.0	-47.58	301.86	4.36	-43.22
O=C(C1=CC2=CN=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213062	1	38	-1.0	-47.57	301.81	4.35	-43.22
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213063	0	49	-1.0	-49.68	371.45	6.51	-43.17
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213063	1	49	-1.0	-49.72	371.50	6.51	-43.21
O=C(CCC1=CN=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213064	0	38	-1.0	-47.82	309.03	4.49	-43.33
O=C(CCC1=CN=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213064	1	38	-1.0	-47.82	308.98	4.49	-43.33
O=C(CC1=C(Br)C=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213065	0	36	-1.0	-46.70	317.38	5.71	-40.99
O=C(CC1=C(Br)C=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213065	1	36	-1.0	-46.70	317.44	5.70	-41.00
COC1=CC=CC(OCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213066	0	47	-1.0	-49.12	362.63	5.42	-43.70
COC1=CC=CC(OCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213066	1	47	-1.0	-49.16	362.68	5.44	-43.72
CC1=NC(C2CC2)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213067	0	45	-1.0	-48.47	342.82	6.29	-42.18
CC1=NC(C2CC2)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213067	1	45	-1.0	-48.49	342.86	6.30	-42.19
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213068	0	47	-1.0	-52.22	366.21	5.24	-46.98
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213068	1	47	-1.0	-52.21	366.28	5.27	-46.94
CN1CCC2=C(C1)C1=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C1N2	REAL300020213069	0	52	-1.0	-53.14	390.77	5.31	-47.83
CN1CCC2=C(C1)C1=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C1N2	REAL300020213069	1	52	-1.0	-53.19	390.80	5.32	-47.87
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C1N2	REAL300020213069	1	53	0.0	-77.95	395.71	7.85	-70.10
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C1N2	REAL300020213069	1	53	0.0	-70.30	390.27	7.49	-62.81
O=C(C1CCCC2=C1NN=N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213070	0	42	-1.0	-51.96	310.96	2.92	-49.04
O=C(C1CCCC2=C1NN=N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213070	1	42	-1.0	-51.97	311.04	2.93	-49.04
CC(C)(C)OC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020213071	0	48	-1.0	-49.11	353.91	5.41	-43.70
CC(C)(C)OC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020213071	1	48	-1.0	-49.16	353.86	5.40	-43.76
CCC1=NC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020213072	0	41	-1.0	-48.27	316.09	2.55	-45.72
CCC1=NC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213072	1	41	-1.0	-48.26	316.14	2.56	-45.70
O=C(C1=CNC(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213073	0	37	-1.0	-49.54	305.37	4.05	-45.49
O=C(C1=CNC(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213073	1	37	-1.0	-49.55	305.42	4.07	-45.48
O=C(CC1=CC=NC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213074	0	38	-1.0	-49.42	304.58	4.67	-44.75
O=C(CC1=CC=NC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213074	1	38	-1.0	-49.44	304.63	4.69	-44.75
CC1=CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2C=C1	REAL300020213075	0	44	-1.0	-51.45	341.06	7.22	-44.23
CC1=CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2C=C1	REAL300020213075	1	44	-1.0	-51.46	341.00	7.20	-44.26
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N1C	REAL300020213076	0	43	-1.0	-41.81	340.84	5.57	-36.24
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N1C	REAL300020213076	1	43	-1.0	-41.83	340.89	5.58	-36.25
CCS(=O)(=O)NC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213077	0	43	-1.0	-62.01	334.15	0.01	-62.00
CCS(=O)(=O)NC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213077	1	43	-1.0	-61.99	334.16	0.01	-61.98
CC1=CC=C(O)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213078	0	40	-1.0	-40.52	311.50	3.60	-36.92
CC1=CC=C(O)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213078	1	40	-1.0	-40.57	311.56	3.61	-36.96
O=C(C1=CC(=O)NC(C2CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213079	0	42	-1.0	-53.64	330.08	3.61	-50.03
O=C(C1=CC(=O)NC(C2CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213079	1	42	-1.0	-53.62	330.11	3.62	-50.00
COCC1=NOC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213080	0	39	-1.0	-48.35	308.45	2.36	-45.99
COCC1=NOC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213080	1	39	-1.0	-48.37	308.53	2.38	-45.99
CC1=CC(=O)NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C12	REAL300020213081	0	45	-1.0	-51.65	349.72	4.99	-46.66
CC1=CC(=O)NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C12	REAL300020213081	1	45	-1.0	-51.66	349.76	5.02	-46.64
O=C(CC1=CC=CC(Cl)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213082	0	39	-1.0	-49.73	328.53	6.72	-43.01
O=C(CC1=CC=CC(Cl)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213082	1	39	-1.0	-49.74	328.60	6.74	-43.00
COC(=O)CC(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213083	0	44	-1.0	-54.11	329.20	5.59	-48.52
COC(=O)CC(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213083	1	44	-1.0	-54.04	329.24	5.60	-48.44
CCC1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCN1C(=O)OC(C)(C)C	REAL300020213084	0	59	-1.0	-50.90	414.50	6.97	-43.93
CCC1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCN1C(=O)OC(C)(C)C	REAL300020213084	1	59	-1.0	-50.97	414.55	7.01	-43.96
O=C(C1=C(C2CC2)N=CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213085	0	39	-1.0	-49.68	304.23	2.75	-46.93
O=C(C1=C(C2CC2)N=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213085	1	39	-1.0	-49.59	304.29	2.76	-46.83
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213086	0	40	-1.0	-40.83	335.76	4.39	-36.44
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213086	1	40	-1.0	-40.83	335.81	4.41	-36.42
CC1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213087	0	42	-1.0	-46.13	341.22	6.74	-39.39
CC1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213087	1	42	-1.0	-46.11	341.29	6.75	-39.36
CC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N1	REAL300020213088	0	39	-1.0	-50.42	309.19	4.00	-46.42
CC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N1	REAL300020213088	1	39	-1.0	-50.42	309.25	4.01	-46.41
O=C(CC1CCCC(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213089	0	43	-1.0	-53.89	321.13	3.14	-50.75
O=C(CC1CCCC(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213089	1	43	-1.0	-53.88	321.18	3.14	-50.74
O=C(C1=CC=C(C2CCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213090	0	49	-1.0	-48.57	361.65	8.49	-40.08
O=C(C1=CC=C(C2CCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213090	1	49	-1.0	-48.54	361.65	8.50	-40.04
O=C(C1CCN(C2=CC=CC=C2Cl)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213091	0	48	-1.0	-52.46	373.64	6.36	-46.10
O=C(C1CCN(C2=CC=CC=C2Cl)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213091	1	48	-1.0	-52.46	373.71	6.37	-46.09
CC1=CC=C2SC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C1	REAL300020213092	0	42	-1.0	-51.59	337.50	7.59	-44.00
CC1=CC=C2SC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C1	REAL300020213092	1	42	-1.0	-51.62	337.56	7.62	-44.00
O=C(CCCC1=CC=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213093	0	45	-1.0	-52.67	358.85	8.46	-44.21
O=C(CCCC1=CC=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213093	1	45	-1.0	-52.63	358.89	8.47	-44.16
O=C(C1=NN2CCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213094	0	38	-1.0	-53.89	296.22	1.73	-52.16
O=C(C1=NN2CCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213094	1	38	-1.0	-53.91	296.17	1.72	-52.19
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213095	0	51	-1.0	-65.42	386.84	7.17	-58.25
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213095	1	51	-1.0	-65.41	386.89	7.17	-58.24
O=C(COC1=CC(F)=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213096	0	40	-1.0	-49.31	324.84	6.19	-43.12
O=C(COC1=CC(F)=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213096	1	40	-1.0	-49.36	324.89	6.20	-43.16
O=C(C1CCN(C2=CC=CC=C2F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213097	0	48	-1.0	-54.41	363.91	5.68	-48.73
O=C(C1CCN(C2=CC=CC=C2F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213097	1	48	-1.0	-54.38	363.97	5.70	-48.68
COC(=O)CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=CO1	REAL300020213098	0	45	-1.0	-53.77	367.67	5.57	-48.20
COC(=O)CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=CO1	REAL300020213098	1	45	-1.0	-53.77	367.73	5.58	-48.19
O=C(C1=CC=C(C2=CCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213099	0	47	-1.0	-48.58	358.83	8.63	-39.95
O=C(C1=CC=C(C2=CCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213099	1	47	-1.0	-48.61	358.83	8.65	-39.96
C#CC1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213100	0	41	-1.0	-49.59	332.88	7.13	-42.46
C#CC1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213100	1	41	-1.0	-49.59	332.94	7.13	-42.46
CC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020213101	0	48	-1.0	-47.16	363.37	7.90	-39.26
CC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020213101	1	48	-1.0	-47.12	363.39	7.91	-39.21
O=C(C1=CC2=NON=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213102	0	37	-1.0	-44.82	295.81	4.21	-40.61
O=C(C1=CC2=NON=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213102	1	37	-1.0	-44.84	295.80	4.21	-40.63
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213103	0	38	-1.0	-60.20	300.99	-1.34	-61.54
O=C([C@@H]1CC(=O)NC(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213103	1	38	-1.0	-60.25	301.05	-1.34	-61.59
O=C(C1=CON=C1C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213104	0	35	-1.0	-49.66	288.60	3.81	-45.85
O=C(C1=CON=C1C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213104	1	35	-1.0	-49.67	288.55	3.81	-45.86
CN(C)C1=NC(N)=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213105	0	43	-1.0	-53.31	337.03	6.69	-46.62
CN(C)C1=NC(N)=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213105	1	43	-1.0	-53.30	336.98	6.69	-46.61
O=C(C=CCN1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213106	0	46	-1.0	-50.63	345.28	2.62	-48.01
O=C(C=CCN1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213106	1	46	-1.0	-50.69	345.34	2.65	-48.04
CS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(Cl)C=N1	REAL300020213107	0	41	-1.0	-49.37	348.94	1.47	-47.90
CS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(Cl)C=N1	REAL300020213107	1	41	-1.0	-49.40	348.95	1.46	-47.94
O=C(C1CCC2=NN=CN2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213108	0	42	-1.0	-50.03	314.27	6.45	-43.58
O=C(C1CCC2=NN=CN2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213108	1	42	-1.0	-49.96	314.32	6.48	-43.48
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213109	0	45	-1.0	-55.68	366.87	5.05	-50.63
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213109	1	45	-1.0	-55.65	366.94	5.06	-50.59
O=C(C1CCCCCC(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213110	0	47	-1.0	-53.40	325.88	5.69	-47.71
O=C(C1CCCCCC(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213110	1	47	-1.0	-53.44	325.93	5.70	-47.74
CC(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020213111	0	44	-1.0	-49.23	333.50	6.32	-42.91
CC(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020213111	1	44	-1.0	-49.22	333.45	6.32	-42.90
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213112	0	58	-1.0	-47.78	418.44	4.70	-43.08
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213112	1	58	-1.0	-47.72	418.46	4.71	-43.01
CN(C)S(=O)(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213113	0	42	-1.0	-55.17	334.32	-0.69	-55.86
CN(C)S(=O)(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213113	1	42	-1.0	-55.17	334.37	-0.69	-55.86
CC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(Br)S1	REAL300020213114	0	35	-1.0	-49.50	302.36	4.66	-44.84
CC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(Br)S1	REAL300020213114	1	35	-1.0	-49.43	302.41	4.68	-44.75
C=CC(=O)N(CC)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213115	0	43	-1.0	-54.50	333.75	4.51	-49.99
C=CC(=O)N(CC)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213115	1	43	-1.0	-54.54	333.84	4.54	-50.00
O=C(CC1=CN=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213116	0	38	-1.0	-47.62	312.53	5.10	-42.52
O=C(CC1=CN=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213116	1	38	-1.0	-47.59	312.48	5.08	-42.51
O=C(C1=CN=C2NC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213117	0	39	-1.0	-47.74	312.82	1.57	-46.17
O=C(C1=CN=C2NC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213117	1	39	-1.0	-47.70	312.86	1.58	-46.12
O=C(C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213118	0	44	-1.0	-46.57	361.78	7.90	-38.67
O=C(C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213118	1	44	-1.0	-46.57	361.72	7.88	-38.69
CCOC(=O)C(C)(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213119	0	47	-1.0	-43.30	348.63	6.33	-36.97
CCOC(=O)C(C)(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213119	1	47	-1.0	-43.38	348.71	6.35	-37.03
O=C(C1=CC=NC(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213120	0	38	-1.0	-45.84	314.58	4.65	-41.19
O=C(C1=CC=NC(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213120	1	38	-1.0	-45.80	314.54	4.64	-41.16
O=C(C1=CC=CC2=C1NC(=O)N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213121	0	40	-1.0	-59.99	309.04	2.29	-57.70
O=C(C1=CC=CC2=C1NC(=O)N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213121	1	40	-1.0	-59.96	309.07	2.30	-57.66
CS(=O)(=O)C1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213122	0	40	-1.0	-50.40	329.71	-0.06	-50.46
CS(=O)(=O)C1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213122	1	40	-1.0	-50.45	329.66	-0.05	-50.50
CC1=CSC(NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=N1	REAL300020213123	0	47	-1.0	-48.83	376.54	6.42	-42.41
CC1=CSC(NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=N1	REAL300020213123	1	47	-1.0	-48.83	376.51	6.41	-42.42
NC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC(N2CCOCC2)=N1	REAL300020213124	0	48	-1.0	-53.00	368.86	4.61	-48.39
NC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC(N2CCOCC2)=N1	REAL300020213124	1	48	-1.0	-53.03	368.81	4.58	-48.45
O=C(C1=CN=C(OCC(F)F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213125	0	41	-1.0	-48.26	334.90	2.30	-45.96
O=C(C1=CN=C(OCC(F)F)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213125	1	41	-1.0	-48.22	334.85	2.28	-45.94
O=C(C1=CN(C2CCOCC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213126	0	46	-1.0	-48.38	349.57	3.14	-45.24
O=C(C1=CN(C2CCOCC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213126	1	46	-1.0	-48.39	349.51	3.11	-45.28
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213127	0	50	-1.0	-58.94	380.09	2.36	-56.58
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213127	1	50	-1.0	-58.79	379.56	2.41	-56.38
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213128	0	55	-1.0	-48.73	408.37	5.30	-43.43
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213128	1	55	-1.0	-48.80	408.44	5.31	-43.49
O=C(N1CCCCC1CC1=N[N-]N=N1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300020213129	0	50	-1.0	-56.22	359.11	4.71	-51.51
O=C(N1CCCCC1CC1=NN=N[N-]1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300020213129	1	50	-1.0	-56.25	359.18	4.72	-51.53
O=C(C1=CNC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213130	0	43	-1.0	-51.47	338.29	6.69	-44.78
O=C(C1=CNC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213130	1	43	-1.0	-51.42	338.35	6.70	-44.72
CC1=NSC(C)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213131	0	38	-1.0	-43.76	313.65	4.15	-39.61
CC1=NSC(C)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213131	1	38	-1.0	-43.79	313.71	4.18	-39.61
O=C(C1=NC2=CC=CC=C2C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213132	0	41	-1.0	-50.95	331.83	7.11	-43.84
O=C(C1=NC2=CC=CC=C2C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213132	1	41	-1.0	-50.97	331.78	7.10	-43.87
O=C(C1=CC(C(F)(F)F)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213133	0	35	-1.0	-41.79	295.66	3.95	-37.84
O=C(C1=CC(C(F)(F)F)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213133	1	35	-1.0	-41.83	295.62	3.93	-37.90
O=C(C1=NC2=CN=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213134	0	37	-1.0	-47.50	306.07	4.02	-43.48
O=C(C1=NC2=CN=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213134	1	37	-1.0	-47.44	306.02	4.02	-43.42
CCOC(=O)C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)=O	REAL300020213135	0	46	-1.0	-42.40	350.38	5.81	-36.59
CCOC(=O)C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)=O	REAL300020213135	1	46	-1.0	-42.38	350.41	5.82	-36.56
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213136	0	53	0.0	-66.01	380.02	7.83	-58.18
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213136	1	53	0.0	-66.03	380.07	7.83	-58.20
COC1=C(Cl)C=C2NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020213137	0	44	-1.0	-52.94	356.95	5.16	-47.78
COC1=C(Cl)C=C2NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020213137	1	44	-1.0	-52.97	356.97	5.17	-47.80
O=C(C1CC(C2=CC=CC=C2)OC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213138	0	46	-1.0	-56.47	353.00	7.33	-49.14
O=C(C1CC(C2=CC=CC=C2)OC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213138	1	46	-1.0	-56.46	353.06	7.34	-49.12
CC1=C2SC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=CC=C1	REAL300020213139	0	42	-1.0	-51.81	336.49	7.61	-44.20
CC1=C2SC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=CC=C1	REAL300020213139	1	42	-1.0	-51.83	336.54	7.63	-44.20
CN1N=NC(Br)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213140	0	35	-1.0	-40.74	294.40	2.96	-37.78
CN1N=NC(Br)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213140	1	35	-1.0	-40.70	294.35	2.95	-37.75
O=C(C1=CN(CCF)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213141	0	39	-1.0	-49.33	310.22	3.86	-45.47
O=C(C1=CN(CCF)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213141	1	39	-1.0	-49.32	310.17	3.85	-45.47
CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1O	REAL300020213142	0	43	-1.0	-48.25	331.86	4.07	-44.18
CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1O	REAL300020213142	1	43	-1.0	-48.25	331.90	4.09	-44.16
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213143	0	52	0.0	-59.47	379.04	8.49	-50.98
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213143	1	52	0.0	-54.21	380.18	8.48	-45.73
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213143	1	52	0.0	-59.46	379.10	8.49	-50.97
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213143	1	52	0.0	-54.19	380.23	8.48	-45.71
O=C(C1=NC=C(Br)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213144	0	32	-1.0	-51.05	286.35	3.37	-47.68
O=C(C1=NC=C(Br)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213144	1	32	-1.0	-51.07	286.28	3.37	-47.70
O=C(C1=CC=CC2=C1NC(=O)C=C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213145	0	42	-1.0	-58.94	327.91	4.69	-54.25
O=C(C1=CC=CC2=C1NC(=O)C=C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213145	1	42	-1.0	-58.96	327.97	4.71	-54.25
O=C(CCOC1=CC2=CC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213146	0	49	-1.0	-49.77	379.16	8.41	-41.36
O=C(CCOC1=CC2=CC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213146	1	49	-1.0	-49.82	379.21	8.43	-41.39
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N1	REAL300020213147	0	40	-1.0	-46.97	320.63	4.16	-42.81
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N1	REAL300020213147	1	40	-1.0	-46.98	320.68	4.16	-42.82
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213148	0	49	-1.0	-54.08	384.48	9.11	-44.97
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213148	1	49	-1.0	-54.10	384.53	9.12	-44.98
CN1C=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CN=C21	REAL300020213149	0	41	-1.0	-62.22	320.38	5.73	-56.49
CN1C=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CN=C21	REAL300020213149	1	41	-1.0	-62.21	320.33	5.73	-56.48
O=C(C1=CC=C2NC(=O)CSC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213150	0	42	-1.0	-48.56	340.10	4.41	-44.15
O=C(C1=CC=C2NC(=O)CSC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213150	1	42	-1.0	-48.54	340.14	4.43	-44.11
CCCC1=NN=C(SCC(=O)N2CCCCC2CC2=N[N-]N=N2)N1N	REAL300020213151	0	47	-1.0	-49.38	384.80	5.18	-44.20
CCCC1=NN=C(SCC(=O)N2CCCCC2CC2=NN=N[N-]2)N1N	REAL300020213151	1	47	-1.0	-49.36	384.87	5.19	-44.17
CCCC1=NC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020213152	0	44	-1.0	-47.83	337.58	3.32	-44.51
CCCC1=NC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213152	1	44	-1.0	-47.88	337.63	3.33	-44.55
CC1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCCN1C(=O)OC(C)(C)C	REAL300020213153	0	59	-1.0	-53.05	409.36	7.78	-45.27
CC1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300020213153	1	59	-1.0	-53.07	409.39	7.79	-45.28
CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020213154	0	44	-1.0	-58.00	347.47	7.62	-50.38
CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020213154	1	44	-1.0	-58.03	347.52	7.64	-50.39
CC1(C)COC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020213155	0	47	-1.0	-49.35	356.81	6.36	-42.99
CC1(C)COC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020213155	1	47	-1.0	-49.35	356.85	6.37	-42.98
CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=N1	REAL300020213156	0	41	-1.0	-51.54	338.26	5.22	-46.32
CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=N1	REAL300020213156	1	41	-1.0	-51.53	338.32	5.22	-46.31
CC(C)[NH+]1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213157	0	51	0.0	-59.54	355.10	6.79	-52.75
CC(C)[NH+]1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213157	1	51	0.0	-59.60	355.15	6.80	-52.80
O=C(C1CCOC(C2=CC=CC=C2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213158	0	48	-1.0	-52.35	355.89	6.37	-45.98
O=C(C1CCOC(C2=CC=CC=C2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213158	1	48	-1.0	-52.37	355.91	6.37	-46.00
CN1N=NC2=C1CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)CC2	REAL300020213159	0	45	-1.0	-47.80	335.54	4.21	-43.59
CN1N=NC2=C1CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)CC2	REAL300020213159	1	45	-1.0	-47.80	335.60	4.23	-43.57
COC1=CC=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NN=C21	REAL300020213160	0	43	-1.0	-51.99	336.78	3.74	-48.25
COC1=CC=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NN=C21	REAL300020213160	1	43	-1.0	-52.02	336.87	3.75	-48.27
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020213161	0	43	-2.0	-133.29	344.00	5.14	-128.15
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020213161	1	43	-2.0	-133.35	344.06	5.14	-128.21
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CN1C	REAL300020213162	0	43	-1.0	-52.33	323.03	6.30	-46.03
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CN1C	REAL300020213162	1	43	-1.0	-52.32	323.11	6.32	-46.00
CC(C)(C)OC(=O)N1CC(C(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213163	0	53	-1.0	-48.76	401.22	5.76	-43.00
CC(C)(C)OC(=O)N1CC(C(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213163	1	53	-1.0	-48.82	401.27	5.76	-43.06
CC1=NC(Cl)=C(Cl)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213164	0	38	-1.0	-42.70	323.62	5.16	-37.54
CC1=NC(Cl)=C(Cl)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213164	1	38	-1.0	-42.66	323.67	5.17	-37.49
CC1=NOC(CN2N=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C)=C1	REAL300020213165	0	47	-1.0	-51.63	369.71	4.75	-46.88
CC1=NOC(CN2N=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C)=C1	REAL300020213165	1	47	-1.0	-51.64	369.76	4.76	-46.88
O=C(CN1C=C(Cl)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213166	0	36	-1.0	-54.24	304.24	4.09	-50.15
O=C(CN1C=C(Cl)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213166	1	36	-1.0	-54.21	304.18	4.06	-50.15
CC(C)(C)C1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020213167	0	46	-1.0	-46.34	349.98	5.21	-41.13
CC(C)(C)C1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020213167	1	46	-1.0	-46.31	349.98	5.20	-41.11
CCOC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213168	0	45	-1.0	-48.37	354.77	6.92	-41.45
CCOC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213168	1	45	-1.0	-48.35	354.77	6.92	-41.43
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC2=CC(F)=CC=C21	REAL300020213169	0	42	-1.0	-47.74	337.67	7.38	-40.36
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC2=CC(F)=CC=C21	REAL300020213169	1	42	-1.0	-47.82	337.85	7.34	-40.48
O=C(C(O)C1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213170	0	40	-1.0	-47.30	321.59	4.39	-42.91
O=C(C(O)C1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213170	1	40	-1.0	-47.31	321.64	4.41	-42.90
O=C(C1=CN=NC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213171	0	44	-1.0	-47.46	347.06	6.08	-41.38
O=C(C1=CN=NC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213171	1	44	-1.0	-47.45	347.09	6.08	-41.37
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213172	0	50	-1.0	-50.55	375.00	7.93	-42.62
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213172	1	50	-1.0	-50.58	374.95	7.92	-42.66
CN1C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN=C1C1=CC=CC=C1	REAL300020213173	0	48	-1.0	-59.29	376.66	7.42	-51.87
CN1C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN=C1C1=CC=CC=C1	REAL300020213173	1	48	-1.0	-59.25	376.72	7.44	-51.81
CC(=O)C1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=C(C)C=C2O1	REAL300020213174	0	50	-1.0	-52.14	396.15	7.80	-44.34
CC(=O)C1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=C(C)C=C2O1	REAL300020213174	1	50	-1.0	-52.14	396.21	7.83	-44.31
O=C(CCSC1=CC=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213175	0	43	-1.0	-45.08	360.02	8.22	-36.86
O=C(CCSC1=CC=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213175	1	43	-1.0	-45.08	360.07	8.22	-36.86
O=C(C1=CN=CC(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213176	0	38	-1.0	-44.73	314.05	4.54	-40.19
O=C(C1=CN=CC(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213176	1	38	-1.0	-44.68	314.00	4.55	-40.13
O=C(COCC1=CC=NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213177	0	42	-1.0	-55.03	332.62	4.85	-50.18
O=C(COCC1=CC=NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213177	1	42	-1.0	-55.02	332.67	4.86	-50.16
C[C@H](CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213178	0	45	-1.0	-48.84	336.81	7.53	-41.31
C[C@H](CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213178	1	45	-1.0	-48.62	336.85	7.62	-41.00
O=C(C(O)C1=CC=C(Cl)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213179	0	40	-1.0	-45.88	328.22	4.24	-41.64
O=C(C(O)C1=CC=C(Cl)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213179	1	40	-1.0	-45.92	328.39	4.24	-41.68
O=C(CC1(C(F)(F)F)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213180	0	39	-1.0	-52.20	309.44	5.54	-46.66
O=C(CC1(C(F)(F)F)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213180	1	39	-1.0	-52.18	309.51	5.53	-46.65
O=C(COCC1=CC=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213181	0	42	-1.0	-55.53	332.45	4.78	-50.75
O=C(COCC1=CC=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213181	1	42	-1.0	-55.57	332.40	4.77	-50.80
O=C(C1=CC(Cl)=NC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020213182	0	35	-1.0	-44.24	307.38	4.58	-39.66
O=C(C1=CC(Cl)=NC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020213182	1	35	-1.0	-44.21	307.36	4.57	-39.64
O=C(C1=CC2=C(N1)SC(Cl)=C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213183	0	37	-1.0	-47.75	321.07	5.42	-42.33
O=C(C1=CC2=C(N1)SC(Cl)=C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213183	1	37	-1.0	-47.78	321.19	5.43	-42.35
COC(C)(C)C1=NC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213184	0	48	-1.0	-49.56	374.59	4.10	-45.46
COC(C)(C)C1=NC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213184	1	48	-1.0	-49.36	374.56	4.08	-45.28
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213185	0	42	-1.0	-50.09	345.76	5.27	-44.82
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213185	1	42	-1.0	-50.09	345.81	5.29	-44.80
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213186	0	42	-1.0	-56.51	360.21	5.71	-50.80
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213186	1	42	-1.0	-56.49	360.26	5.73	-50.76
O=C([C@@H]1C[C@H]1C1=CC=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213187	0	43	-1.0	-52.92	340.05	7.53	-45.39
O=C([C@@H]1C[C@H]1C1=CC=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213187	1	43	-1.0	-52.95	340.11	7.54	-45.41
O=C([C@@H]1C[C@H]1C1=CC=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213188	0	43	-1.0	-48.22	351.83	8.42	-39.80
O=C([C@@H]1C[C@H]1C1=CC=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213188	1	43	-1.0	-48.25	351.87	8.42	-39.83
CN1C=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020213189	0	43	-1.0	-48.71	338.80	5.31	-43.40
CN1C=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020213189	1	43	-1.0	-48.75	338.74	5.30	-43.45
O=C([C@@H]1C[C@H]1C1=CC=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213190	0	42	-1.0	-50.00	325.45	6.02	-43.98
O=C([C@@H]1C[C@H]1C1=CC=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213190	1	42	-1.0	-50.00	325.40	6.01	-43.99
O=C(C1=NC2=NC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213191	0	40	-1.0	-54.85	314.45	5.65	-49.20
O=C(C1=NC2=NC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213191	1	40	-1.0	-54.85	314.39	5.63	-49.22
O=C(C1=CC(C(F)F)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213192	0	36	-1.0	-47.73	291.77	3.14	-44.59
O=C(C1=CC(C(F)F)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213192	1	36	-1.0	-47.80	291.82	3.16	-44.64
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=NC2=C(N)N=CN=C21	REAL300020213193	0	45	-1.0	-55.02	347.87	5.02	-50.00
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=NC2=C(N)N=CN=C21	REAL300020213193	1	45	-1.0	-55.05	347.92	5.05	-50.00
O=C(CC(C1=CC=C(O)C=C1)C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213194	0	50	-1.0	-47.12	385.24	5.92	-41.20
O=C(CC(C1=CC=C(O)C=C1)C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213194	1	50	-1.0	-47.13	385.31	5.93	-41.20
O=C(C1CCC2=NN=NN2CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213195	0	44	-1.0	-59.64	330.07	3.80	-55.84
O=C(C1CCC2=NN=NN2CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213195	1	44	-1.0	-59.64	330.12	3.80	-55.84
CC1(C2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)OCCO1	REAL300020213196	0	44	-1.0	-50.61	353.29	2.87	-47.74
CC1(C2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)OCCO1	REAL300020213196	1	44	-1.0	-50.63	352.81	2.88	-47.75
CC(CC1=CNC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213197	0	42	-1.0	-50.43	319.76	5.08	-45.35
CC(CC1=CNC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213197	1	42	-1.0	-50.47	319.82	5.10	-45.37
CC(CC1=CN=CN1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213197	1	42	-1.0	-48.63	316.27	4.96	-43.67
O=C(CCCC(O)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213198	0	49	-1.0	-50.64	379.47	5.34	-45.30
O=C(CCCC(O)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213198	1	49	-1.0	-50.66	379.53	5.36	-45.30
O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213199	0	53	-1.0	-52.55	393.57	6.00	-46.55
O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213199	1	53	-1.0	-52.52	393.64	6.03	-46.49
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213200	0	47	-1.0	-56.31	360.01	7.10	-49.21
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213200	1	47	-1.0	-56.32	360.06	7.11	-49.21
O=C(CC1CCC(=O)NC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213201	0	43	-1.0	-51.26	319.10	2.82	-48.44
O=C(CC1CCC(=O)NC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213201	1	43	-1.0	-51.21	319.14	2.84	-48.37
O=C(C1=CC=C(I)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213202	0	35	-1.0	-45.51	300.94	5.52	-39.99
O=C(C1=CC=C(I)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213202	1	35	-1.0	-45.51	300.89	5.52	-39.99
CC(C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C(F)(F)F	REAL300020213203	0	45	-1.0	-48.81	353.16	7.46	-41.35
CC(C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C(F)(F)F	REAL300020213203	1	45	-1.0	-48.80	353.15	7.47	-41.33
O=C(COCC1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213204	0	46	-1.0	-50.35	347.90	6.02	-44.33
O=C(COCC1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213204	1	46	-1.0	-50.31	347.96	6.04	-44.27
O=C(CC1CC2CCC1O2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213205	0	44	-1.0	-46.90	321.58	4.72	-42.18
O=C(CC1CC2CCC1O2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213205	1	44	-1.0	-46.89	321.63	4.74	-42.15
O=C(C1CCN2C=CN=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213206	0	43	-1.0	-52.79	321.49	5.76	-47.03
O=C(C1CCN2C=CN=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213206	1	43	-1.0	-52.81	321.55	5.78	-47.03
CC1=NC2=CC=CC=C2C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213207	0	44	-1.0	-49.75	338.18	6.46	-43.29
CC1=NC2=CC=CC=C2C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213207	1	44	-1.0	-49.79	338.24	6.49	-43.30
CC1=CC=C(OC2=CC=CC=C2CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213208	0	53	-1.0	-51.65	416.85	9.63	-42.02
CC1=CC=C(OC2=CC=CC=C2CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213208	1	53	-1.0	-51.64	416.92	9.66	-41.98
O=C(C1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213209	0	49	-1.0	-55.97	391.84	5.33	-50.64
O=C(C1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213209	1	49	-1.0	-55.95	391.84	5.34	-50.61
CC1(C)CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213210	0	46	-1.0	-48.27	326.56	6.50	-41.77
CC1(C)CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213210	1	46	-1.0	-48.28	326.61	6.53	-41.75
O=C([C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213211	0	46	-1.0	-54.48	368.82	8.18	-46.30
O=C([C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213211	1	46	-1.0	-54.48	368.89	8.21	-46.27
O=C([C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213212	0	46	-1.0	-47.46	373.69	8.38	-39.08
O=C([C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213212	1	46	-1.0	-47.45	373.75	8.38	-39.07
CC(C(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213213	0	47	-1.0	-55.37	345.09	6.56	-48.81
CC(C(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213213	1	47	-1.0	-55.40	345.20	6.55	-48.85
O=C(CC1CS(=O)(=O)C2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213214	0	47	-1.0	-59.87	379.04	3.61	-56.26
O=C(CC1CS(=O)(=O)C2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213214	1	47	-1.0	-59.79	379.10	3.62	-56.17
O=C(COCC1=CC=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213215	0	43	-1.0	-52.96	354.48	7.12	-45.84
O=C(COCC1=CC=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213215	1	43	-1.0	-52.97	354.53	7.13	-45.84
CC(CC1=CN(C)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213216	0	45	-1.0	-48.88	339.95	5.28	-43.60
CC(CC1=CN(C)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213216	1	45	-1.0	-48.92	339.89	5.26	-43.66
CC1=CC=C(OC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2)C=C1	REAL300020213217	0	49	-1.0	-49.24	383.44	7.93	-41.31
CC1=CC=C(OC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2)C=C1	REAL300020213217	1	49	-1.0	-49.25	383.39	7.91	-41.34
O=C(C1=CC(Br)=CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213218	0	33	-1.0	-47.78	281.39	4.30	-43.48
O=C(C1=CC(Br)=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213218	1	33	-1.0	-47.82	281.44	4.30	-43.52
O=C(C1=CC=C(NC2=NC=CS2)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213219	0	44	-1.0	-57.94	357.78	5.72	-52.22
O=C(C1=CC=C(NC2=NC=CS2)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213219	1	44	-1.0	-57.98	357.43	5.70	-52.28
O=C(C1=CC=C(OC2=CC=CC(F)=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213220	0	46	-1.0	-45.42	369.18	7.38	-38.04
O=C(C1=CC=C(OC2=CC=CC(F)=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213220	1	46	-1.0	-45.45	369.13	7.38	-38.07
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213221	0	42	-1.0	-58.46	301.21	6.61	-51.85
O=C(C1C[C@H]2CC(=O)[C@@H]1C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213221	1	42	-1.0	-58.46	301.22	6.61	-51.85
CN1C(=O)CCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213222	0	43	-1.0	-46.25	325.33	4.29	-41.96
CN1C(=O)CCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213222	1	43	-1.0	-46.22	325.36	4.32	-41.90
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1NC(N)=O	REAL300020213223	0	46	-1.0	-56.32	355.34	2.20	-54.12
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1NC(N)=O	REAL300020213223	1	46	-1.0	-56.29	355.42	2.21	-54.08
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCC(=O)N1	REAL300020213224	0	43	-1.0	-50.04	320.62	2.50	-47.54
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCC(=O)N1	REAL300020213224	1	43	-1.0	-50.01	320.67	2.51	-47.50
O=C(C1=CSC(CO)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213225	0	36	-1.0	-52.54	295.89	0.55	-51.99
O=C(C1=CSC(CO)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213225	1	36	-1.0	-52.56	295.95	0.56	-52.00
CCON1CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213226	0	51	-1.0	-48.87	368.47	4.85	-44.02
CCON1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213226	1	51	-1.0	-48.86	368.53	4.86	-44.00
CCC1=NN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213227	0	37	-1.0	-46.48	302.10	3.54	-42.94
CCC1=NN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213227	1	37	-1.0	-46.49	302.15	3.53	-42.96
CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020213228	0	49	-1.0	-49.20	382.85	7.99	-41.21
CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020213228	1	49	-1.0	-49.17	382.82	7.97	-41.20
O=C(CC1=CC=CC=C1OC1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213229	0	53	-1.0	-48.94	401.68	8.34	-40.60
O=C(CC1=CC=CC=C1OC1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213229	1	53	-1.0	-48.94	401.75	8.37	-40.57
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=C1C#N	REAL300020213230	0	39	-1.0	-45.82	313.36	5.35	-40.47
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=C1C#N	REAL300020213230	1	39	-1.0	-45.86	313.41	5.35	-40.51
O=C(C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213231	0	46	-1.0	-45.35	379.50	7.82	-37.53
O=C(C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213231	1	46	-1.0	-45.33	379.44	7.83	-37.50
COC1=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020213232	0	47	-1.0	-48.91	378.55	7.31	-41.60
COC1=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020213232	1	47	-1.0	-48.89	378.60	7.31	-41.58
CCC(CC(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213233	0	41	-1.0	-46.93	303.86	5.12	-41.81
CCC(CC(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213233	1	41	-1.0	-46.90	303.89	5.13	-41.77
CC1=CC=CC(OC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2)=C1	REAL300020213234	0	49	-1.0	-47.43	384.18	7.99	-39.44
CC1=CC=CC(OC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2)=C1	REAL300020213234	1	49	-1.0	-47.41	384.12	7.99	-39.42
CC(C)(C)C1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213235	0	48	-1.0	-46.95	347.99	6.58	-40.37
CC(C)(C)C1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213235	1	48	-1.0	-46.91	348.05	6.61	-40.30
CC1=CC(C(=O)OC(C)(C)C)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213236	0	54	-1.0	-54.64	413.34	8.91	-45.73
CC1=CC(C(=O)OC(C)(C)C)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213236	1	54	-1.0	-54.67	413.38	8.92	-45.75
O=C(C=CC1=CC=C(C2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213237	0	47	-1.0	-49.29	361.24	9.02	-40.27
O=C(C=CC1=CC=C(C2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213237	1	47	-1.0	-49.31	361.29	9.03	-40.28
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213238	0	43	-1.0	-47.00	351.45	8.37	-38.63
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213238	1	43	-1.0	-46.98	351.50	8.37	-38.61
CC1=CC(Br)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213239	0	36	-1.0	-50.49	312.27	6.04	-44.45
CC1=CC(Br)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213239	1	36	-1.0	-50.47	312.36	6.05	-44.42
COC(=O)C1=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)OC=N1	REAL300020213240	0	44	-1.0	-51.82	357.71	2.16	-49.66
COC(=O)C1=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)OC=N1	REAL300020213240	1	44	-1.0	-51.86	357.64	2.15	-49.71
O=C(C1=C(Br)N=C2CCCCN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213241	0	43	-1.0	-49.23	348.46	6.19	-43.04
O=C(C1=C(Br)N=C2CCCCN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213241	1	43	-1.0	-49.27	348.52	6.21	-43.06
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213242	0	47	-1.0	-49.91	371.51	7.04	-42.87
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213242	1	47	-1.0	-50.00	371.53	7.05	-42.95
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213243	0	52	0.0	-70.34	374.93	7.10	-63.24
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213243	1	52	0.0	-70.33	375.00	7.11	-63.22
NS(=O)(=O)CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213244	0	40	-1.0	-62.06	321.31	-0.76	-62.82
NS(=O)(=O)CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213244	1	40	-1.0	-62.00	321.35	-0.76	-62.76
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213245	0	41	-2.0	-123.91	336.44	-0.88	-124.79
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213245	1	41	-2.0	-123.87	336.47	-0.88	-124.75
NS(=O)(=O)C1=CC=C(O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213245	1	42	-1.0	-55.68	341.85	-1.81	-57.49
NS(=O)(=O)C1=CC=C(O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213245	1	42	-1.0	-55.64	341.85	-1.78	-57.42
NS(=O)(=O)C1=CC=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213246	0	45	-1.0	-59.16	366.35	1.07	-58.09
NS(=O)(=O)C1=CC=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213246	1	45	-1.0	-59.20	366.41	1.08	-58.12
NS(=O)(=O)C1=CC=C(SCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213247	0	45	-1.0	-56.04	375.95	1.96	-54.08
NS(=O)(=O)C1=CC=C(SCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213247	1	45	-1.0	-56.07	376.00	1.98	-54.09
NS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020213248	0	41	-1.0	-48.51	347.16	0.87	-47.64
NS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020213248	1	41	-1.0	-48.48	347.19	0.88	-47.60
O=C(C1=CN=C2C=CC=NN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020213249	0	38	-1.0	-57.34	297.81	4.69	-52.65
O=C(C1=CN=C2C=CC=NN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020213249	1	38	-1.0	-57.24	297.77	4.68	-52.56
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213250	0	44	-1.0	-49.80	360.09	5.16	-44.64
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213250	1	44	-1.0	-49.79	360.14	5.16	-44.63
CC(C)[NH+]1CCN(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213251	0	56	0.0	-68.18	397.82	5.10	-63.08
CC(C)[NH+]1CCN(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213251	1	56	0.0	-68.18	397.88	5.12	-63.06
CCOC(CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1)OCC	REAL300020213252	0	53	-1.0	-51.83	407.12	4.51	-47.32
CCOC(CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1)OCC	REAL300020213252	1	53	-1.0	-51.87	407.06	4.50	-47.37
CCC1(CN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=N2)COC1	REAL300020213253	0	49	-1.0	-49.64	369.27	3.87	-45.77
CCC1(CN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=N2)COC1	REAL300020213253	1	49	-1.0	-49.60	369.22	3.86	-45.74
CC(C)[NH+]1CCN(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213254	0	59	0.0	-65.64	415.03	5.39	-60.25
CC(C)[NH+]1CCN(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213254	1	59	0.0	-65.65	415.09	5.39	-60.26
O=C(C1=CN=CC(C(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213255	0	37	-1.0	-44.71	307.90	3.55	-41.16
O=C(C1=CN=CC(C(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213255	1	37	-1.0	-44.72	307.84	3.54	-41.18
CC(C)(C)OC(=O)N1CCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213256	0	50	-1.0	-61.15	378.23	5.26	-55.89
CC(C)(C)OC(=O)N1CCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213256	1	50	-1.0	-61.10	378.29	5.29	-55.81
CNC1=NC=NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020213257	0	45	-1.0	-52.11	352.31	5.77	-46.34
CNC1=NC=NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020213257	1	45	-1.0	-52.13	352.27	5.75	-46.38
O=C(C1=CC(F)=CC(N2CCOCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213258	0	49	-1.0	-48.17	370.50	4.26	-43.91
O=C(C1=CC(F)=CC(N2CCOCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213258	1	49	-1.0	-48.18	370.53	4.27	-43.91
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020213259	0	36	-1.0	-49.73	301.79	4.21	-45.52
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020213259	1	36	-1.0	-49.70	301.73	4.20	-45.50
COC1=CC(Cl)=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213260	0	40	-1.0	-50.55	328.99	5.20	-45.35
COC1=CC(Cl)=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213260	1	40	-1.0	-50.55	329.01	5.21	-45.34
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213261	0	46	-1.0	-52.46	369.98	7.06	-45.40
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213261	1	46	-1.0	-50.27	369.07	7.56	-42.71
C[C@H](C(=O)N1CCCCC1CC1=N[N-]N=N1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020213262	0	46	-1.0	-58.18	356.99	6.75	-51.43
C[C@H](C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020213262	1	46	-1.0	-58.19	357.02	6.75	-51.44
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CN(C)N=C1	REAL300020213263	0	45	-1.0	-49.43	342.70	5.67	-43.76
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CN(C)N=C1	REAL300020213263	1	45	-1.0	-49.43	342.67	5.66	-43.77
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020213264	0	45	-1.0	-52.14	340.06	8.21	-43.93
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020213264	1	45	-1.0	-52.17	340.12	8.22	-43.95
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213265	0	43	-1.0	-51.89	330.54	7.82	-44.07
O=C([C@H]1C[C@@H]1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213265	1	43	-1.0	-51.88	330.59	7.83	-44.05
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213266	0	49	-1.0	-47.00	383.60	7.23	-39.77
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213266	1	49	-1.0	-46.98	383.65	7.26	-39.72
O=C(C1CC1(F)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213267	0	43	-1.0	-52.90	337.84	7.50	-45.40
O=C(C1CC1(F)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213267	1	43	-1.0	-52.86	337.90	7.50	-45.36
O=C(C1=C(Br)N=C2CCCN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213268	0	40	-1.0	-51.06	330.92	5.63	-45.43
O=C(C1=C(Br)N=C2CCCN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213268	1	40	-1.0	-51.07	330.97	5.65	-45.42
CC1=CC=CC2=C1OC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020213269	0	44	-1.0	-54.45	336.71	6.90	-47.55
CC1=CC=CC2=C1OC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020213269	1	44	-1.0	-54.43	336.76	6.91	-47.52
CN1C=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)O2)C=N1	REAL300020213270	0	43	-1.0	-52.24	344.73	5.37	-46.87
CN1C=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)O2)C=N1	REAL300020213270	1	43	-1.0	-52.19	344.68	5.37	-46.82
O=C(C1=CN=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213271	0	35	-1.0	-45.08	291.69	4.04	-41.04
O=C(C1=CN=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213271	1	35	-1.0	-45.07	291.64	4.04	-41.03
O=C(C1CCC2=NN=C(C3=CC=CC=C3)N2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213272	0	52	-1.0	-50.88	389.95	8.78	-42.10
O=C(C1CCC2=NN=C(C3=CC=CC=C3)N2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213272	1	52	-1.0	-50.88	390.00	8.78	-42.10
O=C(CS(=O)(=O)C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213273	0	39	-1.0	-62.94	319.08	1.95	-60.99
O=C(CS(=O)(=O)C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213273	1	39	-1.0	-62.91	319.14	1.98	-60.93
O=C(CC1=CC2=CC(Cl)=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213274	0	43	-1.0	-50.74	356.41	6.44	-44.30
O=C(CC1=CC2=CC(Cl)=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213274	1	43	-1.0	-50.72	356.47	6.45	-44.27
CC(C)CC1=CNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213275	0	46	-1.0	-54.09	347.10	6.39	-47.70
CC(C)CC1=CNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213275	1	46	-1.0	-54.09	347.18	6.39	-47.70
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213276	0	46	-1.0	-48.15	359.51	6.63	-41.52
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213276	1	46	-1.0	-48.12	359.49	6.61	-41.51
O=C([C@@H]1C[C@H]1C1=CC=CC(O)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213277	0	44	-1.0	-54.47	341.53	4.95	-49.52
O=C([C@@H]1C[C@H]1C1=CC=CC(O)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213277	1	44	-1.0	-54.45	341.58	4.96	-49.49
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213278	0	53	-1.0	-52.09	389.83	7.92	-44.17
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213278	1	53	-1.0	-52.13	389.89	7.94	-44.19
C[NH+](C)CCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020213279	0	48	0.0	-73.81	361.58	5.02	-68.79
C[NH+](C)CCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020213279	1	48	0.0	-73.81	361.54	5.00	-68.81
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213280	0	46	-1.0	-47.50	367.91	8.45	-39.05
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213280	1	46	-1.0	-47.52	367.96	8.46	-39.06
CCC(O)(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020213281	0	49	-1.0	-46.27	363.04	5.69	-40.58
CCC(O)(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020213281	1	49	-1.0	-46.25	363.11	5.71	-40.54
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=C(Cl)C=CC=C12	REAL300020213282	0	43	-1.0	-47.84	347.46	6.88	-40.96
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=C(Cl)C=CC=C12	REAL300020213282	1	43	-1.0	-47.87	347.50	6.89	-40.98
O=C(C1=CC2=CC=CNC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213283	0	39	-1.0	-69.05	305.61	5.53	-63.52
O=C(C1=CC2=CC=CNC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213283	1	39	-1.0	-69.02	305.66	5.53	-63.49
CC(=O)C1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213284	0	37	-1.0	-46.84	309.08	3.28	-43.56
CC(=O)C1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213284	1	37	-1.0	-46.88	309.16	3.29	-43.59
CN1N=CC(Br)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213285	0	36	-1.0	-43.43	305.70	3.88	-39.55
CN1N=CC(Br)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213285	1	36	-1.0	-43.39	305.65	3.88	-39.51
CC1=CC=CC(CS(=O)(=O)CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213286	0	51	-1.0	-51.96	414.37	5.25	-46.71
CC1=CC=CC(CS(=O)(=O)CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213286	1	51	-1.0	-51.94	414.43	5.27	-46.67
O=C(C1=C(C2=CC=CC=C2)C=CN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213287	0	44	-1.0	-52.32	340.24	7.15	-45.17
O=C(C1=C(C2=CC=CC=C2)C=CN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213287	1	44	-1.0	-52.24	340.27	7.16	-45.08
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213288	0	43	-1.0	-49.15	367.50	8.34	-40.81
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213288	1	43	-1.0	-49.11	367.56	8.37	-40.74
O=C(C1=NN2CCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213289	0	43	-1.0	-54.16	323.26	5.40	-48.76
O=C(C1=NN2CCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213289	1	43	-1.0	-54.21	323.31	5.42	-48.79
CCCCCCOC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213290	0	51	-1.0	-53.27	378.97	7.09	-46.18
CCCCCCOC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213290	1	51	-1.0	-53.27	379.02	7.10	-46.17
CCC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213291	0	41	-1.0	-50.39	312.96	5.76	-44.63
CCC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213291	1	41	-1.0	-50.39	313.01	5.77	-44.62
O=C(CC1CSC2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213292	0	45	-1.0	-53.28	360.54	7.26	-46.02
O=C(CC1CSC2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213292	1	45	-1.0	-53.26	360.60	7.26	-46.00
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1C	REAL300020213293	0	41	-1.0	-51.09	311.72	5.58	-45.51
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1C	REAL300020213293	1	41	-1.0	-51.09	311.77	5.58	-45.51
O=C(C1=NC2=CC=NC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213294	0	40	-1.0	-49.27	314.41	4.79	-44.48
O=C(C1=NC2=CC=NC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213294	1	40	-1.0	-49.30	314.36	4.78	-44.52
C[C@]1(C(=O)N2CCCCC2CC2=N[N-]N=N2)C[C@@H]1C1=CC=CC=C1	REAL300020213295	0	46	-1.0	-51.03	337.89	7.91	-43.12
C[C@]1(C(=O)N2CCCCC2CC2=NN=N[N-]2)C[C@@H]1C1=CC=CC=C1	REAL300020213295	1	46	-1.0	-51.03	337.94	7.91	-43.12
CC1=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020213296	0	41	-1.0	-47.41	328.19	5.00	-42.41
CC1=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020213296	1	41	-1.0	-47.43	328.25	5.00	-42.43
O=C(C1=CC=CC(CC2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213297	0	49	-1.0	-50.24	382.78	9.82	-40.42
O=C(C1=CC=CC(CC2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213297	1	49	-1.0	-50.25	382.82	9.83	-40.42
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213298	0	55	0.0	-73.11	402.17	9.30	-63.81
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213298	1	55	0.0	-73.11	402.21	9.31	-63.80
CC(C)OC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020213299	0	48	-1.0	-45.96	375.37	7.64	-38.32
CC(C)OC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020213299	1	48	-1.0	-45.98	375.40	7.65	-38.33
CC1=CC=CC=C1N1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020213300	0	45	-1.0	-48.03	352.64	6.64	-41.39
CC1=CC=CC=C1N1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020213300	1	45	-1.0	-48.05	352.60	6.62	-41.43
CCOC1=CC=C(CC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213301	0	52	-1.0	-48.81	389.54	7.70	-41.11
CCOC1=CC=C(CC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213301	1	52	-1.0	-48.80	389.59	7.71	-41.09
O=C(C1CCC2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213302	0	44	-1.0	-56.90	331.11	6.98	-49.92
O=C(C1CCC2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213302	1	44	-1.0	-56.90	331.16	7.00	-49.90
O=C([C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213303	0	45	-1.0	-48.03	358.38	8.41	-39.62
O=C([C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213303	1	45	-1.0	-48.05	358.43	8.42	-39.63
CC1(C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020213304	0	50	-1.0	-50.72	363.25	7.42	-43.30
CC1(C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020213304	1	50	-1.0	-50.73	363.30	7.42	-43.31
CCCN1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1=O	REAL300020213305	0	46	-1.0	-48.27	349.98	4.53	-43.74
CCCN1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1=O	REAL300020213305	1	46	-1.0	-48.24	350.04	4.54	-43.70
CC(OC1=CC=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213306	0	42	-1.0	-54.04	325.01	4.14	-49.90
CC(OC1=CC=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213306	1	42	-1.0	-54.06	324.96	4.14	-49.92
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=C1CCCC2	REAL300020213307	0	46	-1.0	-56.03	341.88	6.15	-49.88
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=C1CCCC2	REAL300020213307	1	46	-1.0	-56.05	341.94	6.16	-49.89
CCC(CC)OC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213308	0	52	-1.0	-49.16	382.81	7.62	-41.54
CCC(CC)OC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213308	1	52	-1.0	-49.18	382.86	7.63	-41.55
O=C(CC1=CC=CC=C1OC1CCOC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213309	0	51	-1.0	-53.73	392.61	5.77	-47.96
O=C(CC1=CC=CC=C1OC1CCOC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213309	1	51	-1.0	-53.74	392.67	5.77	-47.97
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213310	0	47	-1.0	-51.72	378.71	7.29	-44.43
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213310	1	47	-1.0	-51.75	378.76	7.31	-44.44
O=C(CC1=CC=CC=C1S(=O)(=O)C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213311	0	45	-1.0	-55.68	366.29	4.28	-51.40
O=C(CC1=CC=CC=C1S(=O)(=O)C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213311	1	45	-1.0	-55.76	366.35	4.30	-51.46
COC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C	REAL300020213312	0	40	-1.0	-51.28	320.40	1.57	-49.71
COC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C	REAL300020213312	1	40	-1.0	-51.32	320.35	1.54	-49.78
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213313	0	44	-1.0	-56.59	351.35	8.19	-48.40
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213313	1	44	-1.0	-56.60	351.40	8.19	-48.41
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213314	0	45	-1.0	-54.98	341.75	5.38	-49.60
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213314	1	45	-1.0	-55.00	341.81	5.38	-49.62
O=C(C1=CSC(C2CCCCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213315	0	48	-1.0	-48.61	367.25	7.12	-41.49
O=C(C1=CSC(C2CCCCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213315	1	48	-1.0	-48.62	367.30	7.13	-41.49
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213316	0	43	-1.0	-47.09	346.88	8.26	-38.83
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213316	1	43	-1.0	-47.08	346.94	8.27	-38.81
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213317	0	47	-1.0	-53.48	358.47	7.08	-46.40
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213317	1	47	-1.0	-53.51	358.52	7.08	-46.43
CCC1=CC=CC=C1N1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020213318	0	48	-1.0	-48.93	367.53	7.16	-41.77
CCC1=CC=CC=C1N1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020213318	1	48	-1.0	-48.94	367.49	7.15	-41.79
CC1=CC(Cl)=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213319	0	38	-1.0	-45.76	309.96	4.63	-41.13
CC1=CC(Cl)=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213319	1	38	-1.0	-45.76	310.02	4.65	-41.11
O=C(C(O)C1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213320	0	42	-1.0	-46.68	333.12	4.54	-42.14
O=C(C(O)C1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213320	1	42	-1.0	-46.68	333.18	4.55	-42.13
O=C(C1=CN(C2=CC=CN=C2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213321	0	41	-1.0	-48.65	328.06	3.90	-44.75
O=C(C1=CN(C2=CC=CN=C2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213321	1	41	-1.0	-48.59	328.00	3.89	-44.70
O=C(CC1=CC=CC(C2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213322	0	46	-1.0	-49.70	352.49	8.59	-41.11
O=C(CC1=CC=CC(C2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213322	1	46	-1.0	-49.70	352.54	8.61	-41.09
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300020213323	0	35	-1.0	-41.50	309.80	5.23	-36.27
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300020213323	1	35	-1.0	-41.45	309.85	5.23	-36.22
CCCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CN1	REAL300020213324	0	43	-1.0	-53.58	326.06	5.33	-48.25
CCCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CN1	REAL300020213324	1	43	-1.0	-53.70	326.77	5.36	-48.34
O=C(C1=COC(C2=C(F)C=CC=C2F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213325	0	42	-1.0	-52.54	343.95	5.57	-46.97
O=C(C1=COC(C2=C(F)C=CC=C2F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213325	1	42	-1.0	-52.56	343.90	5.55	-47.01
O=C(C1=CC(=O)C2=CC=C(Cl)C=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213326	0	41	-1.0	-46.20	344.53	6.39	-39.81
O=C(C1=CC(=O)C2=CC=C(Cl)C=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213326	1	41	-1.0	-46.21	344.58	6.39	-39.82
CC(C)=CCOC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213327	0	53	-1.0	-50.74	406.92	8.75	-41.99
CC(C)=CCOC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213327	1	53	-1.0	-50.75	406.97	8.78	-41.97
COCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020213328	0	42	-1.0	-46.91	332.08	2.21	-44.70
COCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020213328	1	42	-1.0	-46.93	332.02	2.20	-44.73
O=C(C1SCCCS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213329	0	38	-1.0	-51.57	302.02	5.33	-46.24
O=C(C1SCCCS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213329	1	38	-1.0	-51.56	302.08	5.34	-46.22
O=C(C1=CC=C(S(=O)(=O)C2CCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213330	0	49	-1.0	-55.52	386.05	5.19	-50.33
O=C(C1=CC=C(S(=O)(=O)C2CCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213330	1	49	-1.0	-55.57	386.05	5.20	-50.37
COC1=CC=C2ON=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020213331	0	45	-1.0	-55.05	360.83	4.70	-50.35
COC1=CC=C2ON=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020213331	1	45	-1.0	-55.09	360.89	4.72	-50.37
O=C(CC1=NOC2=CC=C(F)C=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213332	0	41	-1.0	-53.01	337.78	5.47	-47.54
O=C(CC1=NOC2=CC=C(F)C=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213332	1	41	-1.0	-53.01	337.84	5.50	-47.51
COC1CCCCN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020213333	0	50	-1.0	-64.74	367.15	5.52	-59.22
COC1CCCCN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020213333	1	50	-1.0	-64.72	367.20	5.52	-59.20
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213334	0	56	-1.0	-41.51	408.96	5.49	-36.02
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213334	1	56	-1.0	-41.52	409.02	5.50	-36.02
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213335	0	50	-1.0	-56.03	389.05	8.98	-47.05
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213335	1	50	-1.0	-55.99	389.10	8.97	-47.02
CS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213336	0	39	-1.0	-57.45	331.67	1.92	-55.53
CS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213336	1	39	-1.0	-57.47	331.73	1.93	-55.54
CN1N=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020213337	0	45	-1.0	-54.27	357.88	5.95	-48.32
CN1N=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020213337	1	45	-1.0	-54.23	357.94	5.98	-48.25
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213338	0	44	-1.0	-44.71	345.16	7.70	-37.01
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213338	1	44	-1.0	-44.72	345.21	7.70	-37.02
CC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020213339	0	47	-1.0	-49.14	349.60	6.74	-42.40
CC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020213339	1	47	-1.0	-49.06	349.55	6.73	-42.33
CC1=C(F)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213340	0	39	-1.0	-38.85	306.65	6.58	-32.27
CC1=C(F)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213340	1	39	-1.0	-38.88	306.69	6.58	-32.30
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1C=CC=N1	REAL300020213341	0	46	-1.0	-50.77	353.79	7.52	-43.25
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1C=CC=N1	REAL300020213341	1	46	-1.0	-50.73	353.76	7.51	-43.22
O=C(C1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213342	0	49	-1.0	-51.12	384.19	6.83	-44.29
O=C(C1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213342	1	49	-1.0	-51.09	384.19	6.86	-44.23
CC1CCC(C)(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1(C)C	REAL300020213343	0	55	-1.0	-49.41	382.12	8.33	-41.08
CC1CCC(C)(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1(C)C	REAL300020213343	1	55	-1.0	-49.43	382.18	8.34	-41.09
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020213344	0	39	-2.0	-113.25	321.53	5.24	-108.01
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020213344	1	39	-2.0	-113.31	321.53	5.28	-108.03
O=C(C1=CC=CC(C(F)(F)F)=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213344	1	40	-1.0	-51.81	325.10	4.31	-47.50
O=C(C1=CC=CC(C(F)(F)F)=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213344	1	40	-1.0	-51.80	325.09	4.34	-47.46
CN1C=NC=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213345	0	40	-1.0	-50.81	312.20	6.06	-44.75
CN1C=NC=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213345	1	40	-1.0	-50.80	312.25	6.07	-44.73
CC(=O)NC(=CC1=CC=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213346	0	44	-1.0	-62.83	352.90	6.10	-56.73
CC(=O)NC(=CC1=CC=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213346	1	44	-1.0	-62.84	352.94	6.12	-56.72
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213347	0	41	-2.0	-94.86	338.99	3.23	-91.63
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213347	1	41	-2.0	-94.88	339.03	3.22	-91.66
COC(=O)C1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213348	0	41	-1.0	-56.02	328.53	5.10	-50.92
COC(=O)C1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213348	1	41	-1.0	-55.98	328.48	5.09	-50.89
CNC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213349	0	41	-1.0	-50.14	326.71	4.61	-45.53
CNC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213349	1	41	-1.0	-50.14	326.71	4.62	-45.52
CCOC(=O)C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020213350	0	48	-1.0	-57.96	370.14	8.41	-49.55
CCOC(=O)C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020213350	1	48	-1.0	-57.95	370.16	8.42	-49.53
O=C(C1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213351	0	42	-1.0	-53.47	356.12	3.48	-49.99
O=C(C1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213351	1	42	-1.0	-53.45	356.16	3.49	-49.96
CC1=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020213352	0	39	-1.0	-54.48	315.20	4.77	-49.71
CC1=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020213352	1	39	-1.0	-54.51	315.25	4.77	-49.74
CN1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCC1=O	REAL300020213353	0	43	-1.0	-49.32	319.32	3.83	-45.49
CN1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1=O	REAL300020213353	1	43	-1.0	-49.29	319.38	3.85	-45.44
CCN1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCC1=O	REAL300020213354	0	46	-1.0	-49.25	340.49	4.87	-44.38
CCN1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1=O	REAL300020213354	1	46	-1.0	-49.25	340.55	4.87	-44.38
O=C(CC1=NSC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213355	0	41	-1.0	-53.61	338.68	6.07	-47.54
O=C(CC1=NSC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213355	1	41	-1.0	-53.65	338.74	6.10	-47.55
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=CC=N1	REAL300020213356	0	42	-1.0	-51.39	319.82	4.89	-46.50
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=CC=N1	REAL300020213356	1	42	-1.0	-51.38	319.77	4.89	-46.49
CC1=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020213357	0	46	-1.0	-47.57	366.00	8.43	-39.14
CC1=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020213357	1	46	-1.0	-47.60	366.05	8.44	-39.16
O=C(CCSC1=C2N=CNC2=NC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213358	0	44	-1.0	-55.75	366.38	6.31	-49.44
O=C(CCSC1=C2N=CNC2=NC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213358	1	44	-1.0	-55.75	366.44	6.33	-49.42
CCOCN1N=C(C)C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020213359	0	52	-1.0	-53.55	404.52	4.37	-49.18
CCOCN1N=C(C)C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020213359	1	52	-1.0	-53.52	404.57	4.40	-49.12
O=C(CC1CS(=O)(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213360	0	39	-1.0	-56.18	314.72	1.06	-55.12
O=C(CC1CS(=O)(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213360	1	39	-1.0	-56.13	314.78	1.08	-55.05
CC(=CC1CCC(C)CC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213361	0	52	-1.0	-49.60	364.71	7.57	-42.03
CC(=CC1CCC(C)CC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213361	1	52	-1.0	-49.58	364.74	7.60	-41.98
COC1=NSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213362	0	36	-1.0	-46.94	296.65	1.39	-45.55
COC1=NSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213362	1	36	-1.0	-46.92	296.61	1.38	-45.54
CCOCN1N=C(C)C(CC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020213363	0	58	-1.0	-54.13	429.38	5.67	-48.46
CCOCN1N=C(C)C(CC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020213363	1	58	-1.0	-54.13	429.44	5.68	-48.45
COC1=CC2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2C=C1	REAL300020213364	0	43	-1.0	-50.37	330.52	5.03	-45.34
COC1=CC2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2C=C1	REAL300020213364	1	43	-1.0	-50.39	330.46	5.03	-45.36
COC1=CC=CC(S(=O)CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213365	0	45	-1.0	-53.82	363.11	3.85	-49.97
COC1=CC=CC(S(=O)CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213365	1	45	-1.0	-53.78	363.17	3.86	-49.92
O=C(C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213366	0	49	-1.0	-50.44	384.55	8.08	-42.36
O=C(C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213366	1	49	-1.0	-50.46	384.63	8.09	-42.37
CC1=C(Br)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213367	0	36	-1.0	-50.58	310.61	5.94	-44.64
CC1=C(Br)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213367	1	36	-1.0	-50.56	310.68	5.95	-44.61
CC1=C2OC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=CC=C1	REAL300020213368	0	42	-1.0	-57.24	332.71	6.48	-50.76
CC1=C2OC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=CC=C1	REAL300020213368	1	42	-1.0	-57.09	332.82	6.49	-50.60
CCC(CC1=CC=CC=C1C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213369	0	51	-1.0	-50.75	370.09	8.77	-41.98
CCC(CC1=CC=CC=C1C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213369	1	51	-1.0	-50.79	370.13	8.77	-42.02
CNC1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020213370	0	39	-1.0	-51.12	302.80	2.21	-48.91
CNC1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020213370	1	39	-1.0	-51.13	302.75	2.20	-48.93
O=C(CC1=CC=C(N2C=NN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213371	0	45	-1.0	-51.64	353.80	9.43	-42.21
O=C(CC1=CC=C(N2C=NN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213371	1	45	-1.0	-51.63	353.75	9.43	-42.20
O=C(CCC1=CC=CC(OC(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213372	0	46	-1.0	-49.15	363.75	6.83	-42.32
O=C(CCC1=CC=CC(OC(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213372	1	46	-1.0	-49.13	363.80	6.83	-42.30
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(Br)O1	REAL300020213373	0	36	-1.0	-44.52	298.18	4.82	-39.70
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(Br)O1	REAL300020213373	1	36	-1.0	-44.52	298.23	4.82	-39.70
C=CCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020213374	0	42	-1.0	-47.05	332.72	4.47	-42.58
C=CCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020213374	1	42	-1.0	-47.10	332.66	4.46	-42.64
O=C(C1=NC2=CN=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213375	0	40	-1.0	-49.18	314.64	4.78	-44.40
O=C(C1=NC2=CN=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213375	1	40	-1.0	-49.11	314.58	4.78	-44.33
CC(=O)NC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213376	0	46	-1.0	-54.61	359.24	5.31	-49.30
CC(=O)NC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213376	1	46	-1.0	-54.59	359.29	5.33	-49.26
COC(=O)N1CC2CCC1C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020213377	0	51	-1.0	-52.82	370.28	4.95	-47.87
COC(=O)N1CC2CCC1C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020213377	1	51	-1.0	-52.87	370.33	4.96	-47.91
COC(=O)N1CC2C=CC1C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020213378	0	49	-1.0	-54.41	366.47	4.84	-49.57
COC(=O)N1CC2C=CC1C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020213378	1	49	-1.0	-54.31	366.54	4.86	-49.45
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213379	0	56	-1.0	-45.71	421.85	4.99	-40.72
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213379	1	56	-1.0	-45.66	421.92	4.99	-40.67
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213380	0	50	-1.0	-53.51	380.76	4.50	-49.01
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213380	1	50	-1.0	-53.49	380.83	4.50	-48.99
CC(C)(C)N1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020213381	0	47	-1.0	-46.91	350.28	4.43	-42.48
CC(C)(C)N1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020213381	1	47	-1.0	-46.91	350.21	4.42	-42.49
O=C(C1=CC=CC2=CC=CC(O)=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213382	0	43	-1.0	-53.99	331.50	6.06	-47.93
O=C(C1=CC=CC2=CC=CC(O)=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213382	1	43	-1.0	-53.96	331.56	6.05	-47.91
O=C(CC1=NN=C(C2=CC=CC=C2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213383	0	44	-1.0	-60.06	354.66	2.43	-57.63
O=C(CC1=NN=C(C2=CC=CC=C2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213383	1	44	-1.0	-60.11	354.71	2.43	-57.68
C[NH+](C)CCN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213384	0	48	0.0	-81.69	360.77	5.92	-75.77
C[NH+](C)CCN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213384	1	48	0.0	-81.73	360.72	5.91	-75.82
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213385	0	48	0.0	-43.59	358.11	5.24	-38.35
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213385	1	48	0.0	-43.61	357.99	5.22	-38.39
CC1=C(C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213386	0	46	-1.0	-49.33	331.46	6.84	-42.49
CC1=C(C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213386	1	46	-1.0	-49.35	331.52	6.85	-42.50
O=C(C1=CN2CCCC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213387	0	40	-1.0	-55.07	304.83	5.87	-49.20
O=C(C1=CN2CCCC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213387	1	40	-1.0	-55.09	304.88	5.88	-49.21
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300020213388	0	39	-1.0	-45.25	332.86	7.43	-37.82
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300020213388	1	39	-1.0	-45.19	332.91	7.45	-37.74
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(=O)C2=CC=CC=C21	REAL300020213389	0	45	-1.0	-58.85	349.85	6.50	-52.35
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(=O)C2=CC=CC=C21	REAL300020213389	1	45	-1.0	-58.88	349.90	6.52	-52.36
O=C(C1=CC=C(SC(F)(F)F)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213390	0	37	-1.0	-45.97	320.31	5.39	-40.58
O=C(C1=CC=C(SC(F)(F)F)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213390	1	37	-1.0	-45.96	320.37	5.41	-40.55
CON1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213391	0	45	-1.0	-50.61	325.42	2.92	-47.69
CON1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213391	1	45	-1.0	-50.59	325.48	2.93	-47.66
CC[C@@H]1[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC[N@@H+]1C	REAL300020213392	0	48	0.0	-55.82	332.06	5.68	-50.14
CC[C@@H]1[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC[N@H+]1C	REAL300020213392	1	48	0.0	-61.64	335.32	6.23	-55.41
CC[C@@H]1[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC[N@@H+]1C	REAL300020213392	1	48	0.0	-55.87	332.12	5.69	-50.18
CC[C@@H]1[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC[N@H+]1C	REAL300020213392	1	48	0.0	-61.65	335.38	6.25	-55.40
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=NC=C1	REAL300020213393	0	41	-1.0	-48.08	310.21	5.15	-42.93
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=NC=C1	REAL300020213393	1	41	-1.0	-48.04	310.26	5.16	-42.88
COC1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213394	0	39	-1.0	-52.81	302.85	3.78	-49.03
COC1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213394	1	39	-1.0	-52.83	302.80	3.77	-49.06
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=C(Br)C=N1	REAL300020213395	0	42	-1.0	-48.44	341.53	5.52	-42.92
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=C(Br)C=N1	REAL300020213395	1	42	-1.0	-48.42	341.48	5.52	-42.90
O=C(C1=CSC2=CC(Cl)=CN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020213396	0	38	-1.0	-57.98	325.65	5.26	-52.72
O=C(C1=CSC2=CC(Cl)=CN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020213396	1	38	-1.0	-57.97	325.59	5.26	-52.71
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213397	0	59	-1.0	-52.16	418.80	7.51	-44.65
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213397	1	59	-1.0	-52.11	418.88	7.52	-44.59
O=C(C1=CNC2=C(F)C(F)=CC=C2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213398	0	42	-1.0	-56.26	340.26	5.47	-50.79
O=C(C1=CNC2=C(F)C(F)=CC=C2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213398	1	42	-1.0	-56.22	340.32	5.50	-50.72
O=C(C1=CN(C2=CC=C(F)C=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213399	0	43	-1.0	-47.99	342.57	6.60	-41.39
O=C(C1=CN(C2=CC=C(F)C=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213399	1	43	-1.0	-47.87	342.60	6.61	-41.26
O=C(C1=CN2CCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213400	0	44	-1.0	-53.34	328.35	6.40	-46.94
O=C(C1=CN2CCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213400	1	44	-1.0	-53.36	328.40	6.41	-46.95
CC1=C([N+](=O)[O-])C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020213401	0	43	-1.0	-43.42	346.20	7.02	-36.40
CC1=C([N+](=O)[O-])C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020213401	1	43	-1.0	-43.46	346.23	7.02	-36.44
O=C(CNS(=O)(=O)C1=CC=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213402	0	43	-1.0	-54.59	352.41	0.38	-54.21
O=C(CNS(=O)(=O)C1=CC=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213402	1	43	-1.0	-54.59	352.35	0.36	-54.23
CCNC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020213403	0	40	-1.0	-49.57	322.14	4.09	-45.48
CCNC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020213403	1	40	-1.0	-49.55	322.08	4.09	-45.46
NC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020213404	0	39	-1.0	-45.51	313.88	3.18	-42.33
NC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020213404	1	39	-1.0	-45.47	313.85	3.16	-42.31
O=C(CC1=CC=CC(CC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213405	0	45	-1.0	-53.42	364.26	8.27	-45.15
O=C(CC1=CC=CC(CC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213405	1	45	-1.0	-53.42	364.31	8.28	-45.14
CN1N=C(C2CC2)N=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213406	0	45	-1.0	-56.12	356.49	5.53	-50.59
CN1N=C(C2CC2)N=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213406	1	45	-1.0	-56.06	356.55	5.55	-50.51
O=C(C1CCC2=NC=NC=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213407	0	44	-1.0	-48.49	329.52	5.84	-42.65
O=C(C1CCC2=NC=NC=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213407	1	44	-1.0	-48.51	329.58	5.86	-42.65
CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1(F)Cl	REAL300020213408	0	39	-1.0	-51.12	310.53	6.11	-45.01
CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1(F)Cl	REAL300020213408	1	39	-1.0	-51.12	310.56	6.12	-45.00
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020213409	0	50	-1.0	-47.47	383.00	7.14	-40.33
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020213409	1	50	-1.0	-47.47	382.95	7.14	-40.33
O=C(C1=CC2=CC=CC(Cl)=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213410	0	39	-1.0	-49.21	332.58	7.47	-41.74
O=C(C1=CC2=CC=CC(Cl)=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213410	1	39	-1.0	-49.20	332.62	7.50	-41.70
O=C(C1CCC2=CC(Br)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213411	0	43	-1.0	-47.63	344.16	7.95	-39.68
O=C(C1CCC2=CC(Br)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213411	1	43	-1.0	-47.61	344.23	7.95	-39.66
O=C(CC1=C2C=CC=CN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213412	0	42	-1.0	-53.89	335.52	5.85	-48.04
O=C(CC1=C2C=CC=CN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213412	1	42	-1.0	-53.84	335.46	5.84	-48.00
CC1CCN2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C1	REAL300020213413	0	46	-1.0	-50.39	343.37	5.37	-45.02
CC1CCN2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C1	REAL300020213413	1	46	-1.0	-50.38	343.41	5.37	-45.01
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020213414	0	38	-2.0	-108.39	326.81	6.13	-102.26
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020213414	1	38	-2.0	-108.51	326.81	6.16	-102.35
O=C(CC1=CC=C2OCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213415	0	47	-1.0	-51.83	356.98	7.13	-44.70
O=C(CC1=CC=C2OCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213415	1	47	-1.0	-51.83	357.03	7.14	-44.69
CSC1=CC=C(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213416	0	49	-1.0	-50.55	391.08	8.71	-41.84
CSC1=CC=C(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213416	1	49	-1.0	-50.57	391.14	8.72	-41.85
O=C(CN1N=NN=C1C1=CSC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213417	0	41	-1.0	-54.28	340.92	4.04	-50.24
O=C(CN1N=NN=C1C1=CSC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213417	1	41	-1.0	-54.30	340.98	4.06	-50.24
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1C1=CC=C(F)C(F)=C1	REAL300020213418	0	45	-1.0	-46.26	362.21	6.32	-39.94
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1C1=CC=C(F)C(F)=C1	REAL300020213418	1	45	-1.0	-46.25	362.26	6.32	-39.93
O=C(C1=COC2=CC=C(F)C=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020213419	0	39	-1.0	-59.53	317.76	5.89	-53.64
O=C(C1=COC2=CC=C(F)C=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020213419	1	39	-1.0	-59.09	317.79	5.96	-53.13
CC(C)CN1N=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213420	0	45	-1.0	-47.24	339.42	5.46	-41.78
CC(C)CN1N=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213420	1	45	-1.0	-47.22	339.33	5.45	-41.77
CC1=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C(Cl)C=C2C=C1	REAL300020213421	0	44	-1.0	-55.99	356.38	7.10	-48.89
CC1=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C(Cl)C=C2C=C1	REAL300020213421	1	44	-1.0	-55.95	356.41	7.10	-48.85
CCOC(=O)C1CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213422	0	54	-1.0	-47.16	389.05	8.13	-39.03
CCOC(=O)C1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213422	1	54	-1.0	-47.14	389.08	8.15	-38.99
CC(C)(C)OC(=O)CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213423	0	50	-1.0	-55.80	374.95	7.06	-48.74
CC(C)(C)OC(=O)CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213423	1	50	-1.0	-55.82	375.01	7.07	-48.75
O=C(CN1C=CC2=CC=C(F)C=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213424	0	43	-1.0	-52.35	347.50	7.56	-44.79
O=C(CN1C=CC2=CC=C(F)C=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213424	1	43	-1.0	-52.36	347.57	7.58	-44.78
O=C(C1=NN2CCOCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213425	0	41	-1.0	-52.74	314.15	3.00	-49.74
O=C(C1=NN2CCOCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213425	1	41	-1.0	-52.78	314.21	3.01	-49.77
CC(C)=CCCC(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213426	0	51	-1.0	-45.78	369.55	8.34	-37.44
CC(C)=CCCC(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213426	1	51	-1.0	-45.75	369.58	8.35	-37.40
CC1(C)CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020213427	0	47	-1.0	-49.25	357.92	6.69	-42.56
CC1(C)CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020213427	1	47	-1.0	-49.27	357.96	6.68	-42.59
CC(C)(C)OC(=O)COCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213428	0	48	-1.0	-60.26	367.08	5.98	-54.28
CC(C)(C)OC(=O)COCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213428	1	48	-1.0	-60.28	367.13	5.98	-54.30
CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)N=N1	REAL300020213429	0	47	-1.0	-56.35	365.84	6.67	-49.68
CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)N=N1	REAL300020213429	1	47	-1.0	-56.39	365.88	6.70	-49.69
O=C(C1=CC=CC2=CC=NC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213430	0	41	-1.0	-43.65	322.24	6.31	-37.34
O=C(C1=CC=CC2=CC=NC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213430	1	41	-1.0	-43.63	322.19	6.28	-37.35
C=CCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020213431	0	39	-1.0	-47.53	311.21	3.71	-43.82
C=CCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020213431	1	39	-1.0	-47.49	311.16	3.69	-43.80
CCCC1=CC=C(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213432	0	54	-1.0	-49.00	415.25	9.90	-39.10
CCCC1=CC=C(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213432	1	54	-1.0	-49.00	415.31	9.92	-39.08
O=C(C1=CC=C(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213433	0	45	-1.0	-49.63	351.70	7.18	-42.45
O=C(C1=CC=C(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213433	1	45	-1.0	-49.61	351.67	7.18	-42.43
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1CCOCC1	REAL300020213434	0	52	-1.0	-48.47	387.67	5.59	-42.88
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1CCOCC1	REAL300020213434	1	52	-1.0	-48.51	387.71	5.61	-42.90
O=C(C1=CN(C2CCC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213435	0	42	-1.0	-47.59	321.99	4.30	-43.29
O=C(C1=CN(C2CCC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213435	1	42	-1.0	-47.59	321.93	4.29	-43.30
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213436	0	53	-1.0	-47.67	394.54	4.41	-43.26
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213436	1	53	-1.0	-47.69	394.58	4.42	-43.27
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213437	0	48	-1.0	-49.07	352.11	7.34	-41.73
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213437	1	48	-1.0	-49.08	352.16	7.34	-41.74
O=C(C1=CC=CC2=CC(O)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213438	0	43	-1.0	-52.67	333.87	4.85	-47.82
O=C(C1=CC=CC2=CC(O)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213438	1	43	-1.0	-52.72	333.99	4.88	-47.84
O=C(C1=C(O)C2=NC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213439	0	42	-1.0	-58.09	328.35	3.73	-54.36
O=C(C1=C(O)C2=NC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213439	1	42	-1.0	-58.11	328.33	3.77	-54.34
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213439	1	41	-2.0	-127.66	324.80	4.68	-122.98
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213439	1	41	-2.0	-127.78	324.78	4.71	-123.07
O=C(C1=CC=C(C2=CNC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213440	0	43	-1.0	-55.37	337.82	6.62	-48.75
O=C(C1=CC=C(C2=CNC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213440	1	43	-1.0	-55.42	337.91	6.63	-48.79
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020213441	0	41	-1.0	-50.14	338.61	7.36	-42.78
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020213441	1	41	-1.0	-50.10	338.67	7.38	-42.72
O=C(C1COC2=CC=C(O)C=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213442	0	43	-1.0	-55.82	332.50	2.59	-53.23
O=C(C1COC2=CC=C(O)C=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213442	1	43	-1.0	-55.84	332.56	2.59	-53.25
O=C(C1=C(Cl)SC(Br)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213443	0	32	-1.0	-45.43	298.45	4.46	-40.97
O=C(C1=C(Cl)SC(Br)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213443	1	32	-1.0	-45.43	298.40	4.46	-40.97
COC(=O)C1=C(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)OC=N1	REAL300020213444	0	45	-1.0	-59.30	366.33	1.92	-57.38
COC(=O)C1=C(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)OC=N1	REAL300020213444	1	45	-1.0	-59.26	366.28	1.91	-57.35
COC1=NN(C)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213445	0	40	-1.0	-56.02	314.99	1.06	-54.96
COC1=NN(C)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213445	1	40	-1.0	-55.99	314.96	1.06	-54.93
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213446	0	48	0.0	-69.64	352.97	4.22	-65.42
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213446	1	48	0.0	-69.62	352.90	4.20	-65.42
CSC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020213447	0	37	-1.0	-51.67	304.50	4.27	-47.40
CSC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020213447	1	37	-1.0	-51.66	304.56	4.27	-47.39
CC1=C(C2=CC=CO2)N=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213448	0	45	-1.0	-52.70	369.89	6.07	-46.63
CC1=C(C2=CC=CO2)N=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213448	1	45	-1.0	-52.72	369.84	6.05	-46.67
O=C(CN1CC2=CC=CC=C2OC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213449	0	45	-1.0	-58.01	357.27	6.13	-51.88
O=C(CN1CC2=CC=CC=C2OC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213449	1	45	-1.0	-58.01	357.33	6.14	-51.87
CC1=C(C2=CC=CC=C2)SC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213450	0	46	-1.0	-50.71	368.42	8.93	-41.78
CC1=C(C2=CC=CC=C2)SC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213450	1	46	-1.0	-50.69	368.46	8.94	-41.75
CC1=NN(C(C)C)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213451	0	45	-1.0	-51.78	337.95	4.98	-46.80
CC1=NN(C(C)C)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213451	1	45	-1.0	-51.85	337.97	5.00	-46.85
O=C(CCC1=C(Cl)C=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213452	0	42	-1.0	-49.53	352.59	8.09	-41.44
O=C(CCC1=C(Cl)C=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213452	1	42	-1.0	-49.56	352.65	8.09	-41.47
O=C(C1=CC=C(C(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213453	0	38	-1.0	-45.66	309.44	4.41	-41.25
O=C(C1=CC=C(C(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213453	1	38	-1.0	-45.70	309.47	4.41	-41.29
O=C(C1=C2OCCOC2=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213454	0	39	-1.0	-55.29	314.33	2.54	-52.75
O=C(C1=C2OCCOC2=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213454	1	39	-1.0	-55.29	314.40	2.54	-52.75
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213455	0	49	-1.0	-50.89	388.14	9.57	-41.32
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213455	1	49	-1.0	-50.91	388.18	9.57	-41.34
O=C(CCCC1=C(F)C=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213456	0	45	-1.0	-51.80	356.61	8.08	-43.72
O=C(CCCC1=C(F)C=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213456	1	45	-1.0	-51.80	356.67	8.09	-43.71
O=C(CCCC1=N[N-]N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213457	0	39	-2.0	-105.66	311.21	2.67	-102.99
O=C(CCCC1=NN=N[N-]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213457	1	39	-2.0	-105.67	311.27	2.69	-102.98
O=C(CCCC1=N[N-]N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213457	1	39	-2.0	-105.65	311.27	2.69	-102.96
O=C(CCCC1=NN=N[N-]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213457	1	39	-2.0	-105.67	311.32	2.70	-102.97
CC(C)(C)OC(=O)N1CCCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213458	0	59	-1.0	-60.29	429.63	7.13	-53.16
CC(C)(C)OC(=O)N1CCCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213458	1	59	-1.0	-60.28	429.68	7.13	-53.15
CC(C)(C)OC(=O)N(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CC1	REAL300020213459	0	56	-1.0	-48.52	417.96	6.74	-41.78
CC(C)(C)OC(=O)N(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CC1	REAL300020213459	1	56	-1.0	-48.48	418.03	6.77	-41.71
CC(C)(C)OC(=O)NCC1CCCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213460	0	59	-1.0	-56.47	433.35	5.70	-50.77
CC(C)(C)OC(=O)NCC1CCCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213460	1	59	-1.0	-56.52	433.41	5.71	-50.81
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300020213461	0	52	-1.0	-53.05	378.94	5.31	-47.74
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300020213461	1	52	-1.0	-53.08	378.96	5.32	-47.76
CC(CC1=CC=C(C#N)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213462	0	46	-1.0	-47.76	358.45	7.83	-39.93
CC(CC1=CC=C(C#N)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213462	1	46	-1.0	-47.73	358.50	7.86	-39.87
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(=O)C2=CC=CC=C21	REAL300020213463	0	44	-1.0	-63.94	347.44	7.44	-56.50
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(=O)C2=CC=CC=C21	REAL300020213463	1	44	-1.0	-63.97	347.49	7.44	-56.53
CC(C)(C)OC(=O)CCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213464	0	53	-1.0	-48.33	396.45	7.84	-40.49
CC(C)(C)OC(=O)CCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213464	1	53	-1.0	-48.31	396.50	7.85	-40.46
C[C@H](NC(=O)C1=CC=CO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213465	0	43	-1.0	-48.04	339.79	2.88	-45.16
C[C@H](NC(=O)C1=CC=CO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213465	1	43	-1.0	-48.12	339.71	2.89	-45.23
O=C(C1=NN(CCF)C(=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213466	0	41	-1.0	-45.67	327.63	4.04	-41.63
O=C(C1=NN(CCF)C(=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213466	1	41	-1.0	-45.65	327.69	4.05	-41.60
O=C(C1=CC(Cl)=NC(C2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213467	0	42	-1.0	-45.62	341.72	6.11	-39.51
O=C(C1=CC(Cl)=NC(C2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213467	1	42	-1.0	-45.62	341.76	6.12	-39.50
CC(C)(C)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213468	0	48	-1.0	-49.40	356.13	7.70	-41.70
CC(C)(C)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213468	1	48	-1.0	-49.47	356.17	7.69	-41.78
O=C(C1=CC=CC(C2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213469	0	43	-1.0	-49.42	329.18	7.49	-41.93
O=C(C1=CC=CC(C2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213469	1	43	-1.0	-49.42	329.22	7.50	-41.92
O=C(C1=CC=C2OCCOC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213470	0	41	-1.0	-51.53	317.88	2.74	-48.79
O=C(C1=CC=C2OCCOC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213470	1	41	-1.0	-51.54	317.83	2.74	-48.80
O=C(CCCC1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213471	0	45	-1.0	-49.95	357.27	7.75	-42.20
O=C(CCCC1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213471	1	45	-1.0	-49.96	357.34	7.77	-42.19
CS(=O)(=O)N1CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213472	0	50	-1.0	-56.41	377.81	3.16	-53.25
CS(=O)(=O)N1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213472	1	50	-1.0	-56.46	377.86	3.16	-53.30
CC1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1C	REAL300020213473	0	42	-1.0	-58.72	337.54	4.31	-54.41
CC1=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1C	REAL300020213473	1	42	-1.0	-58.73	337.60	4.34	-54.39
O=C(CC1OCC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213474	0	44	-1.0	-51.35	342.04	6.08	-45.27
O=C(CC1OCC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213474	1	44	-1.0	-51.32	342.12	6.08	-45.24
COC1=CC=C2CCCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020213475	0	50	-1.0	-53.57	364.74	7.43	-46.14
COC1=CC=C2CCCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020213475	1	50	-1.0	-53.56	364.78	7.43	-46.13
COC1=CN2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C=C1	REAL300020213476	0	43	-1.0	-53.18	340.39	4.41	-48.77
COC1=CN2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C=C1	REAL300020213476	1	43	-1.0	-53.17	340.30	4.38	-48.79
O=C(CCC1CCCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213477	0	51	-1.0	-46.37	361.34	7.45	-38.92
O=C(CCC1CCCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213477	1	51	-1.0	-46.38	361.41	7.44	-38.94
CC1(C)CC2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2O1	REAL300020213478	0	47	-1.0	-59.78	353.87	6.48	-53.30
CC1(C)CC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2O1	REAL300020213478	1	47	-1.0	-59.78	353.92	6.48	-53.30
O=C(C1CCCS1(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213479	0	39	-1.0	-58.64	307.57	2.07	-56.57
O=C(C1CCCS1(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213479	1	39	-1.0	-58.63	307.63	2.08	-56.55
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213480	0	43	-1.0	-49.69	351.53	6.00	-43.69
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213480	1	43	-1.0	-49.68	351.58	6.01	-43.67
NC1=NC(C2CC2)=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213481	0	43	-1.0	-42.10	337.82	4.60	-37.50
NC1=NC(C2CC2)=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213481	1	43	-1.0	-42.12	337.87	4.62	-37.50
O=C(C1=CNC=C2N=C(C(F)(F)F)N=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213482	0	41	-1.0	-69.85	339.78	3.83	-66.02
O=C(C1=CNC=C2N=C(C(F)(F)F)N=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213482	1	41	-1.0	-69.87	339.86	3.85	-66.02
CN1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020213483	0	48	-1.0	-48.90	352.07	5.95	-42.95
CN1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020213483	1	48	-1.0	-48.86	352.13	5.97	-42.89
CN(C)C1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020213484	0	43	-1.0	-45.22	348.42	4.58	-40.64
CN(C)C1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020213484	1	43	-1.0	-45.18	348.39	4.58	-40.60
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213485	0	49	-1.0	-48.79	376.99	7.41	-41.38
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213485	1	49	-1.0	-48.74	377.05	7.42	-41.32
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213486	0	48	0.0	-46.47	304.93	5.66	-40.81
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213486	1	48	0.0	-50.29	313.11	5.45	-44.84
CC(C)(C)N1CCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213486	1	47	-1.0	-43.75	305.42	2.33	-41.42
CC(C)(C)N1CCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213486	1	47	-1.0	-43.75	305.46	2.33	-41.42
O=C(CC1=CC=CN=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213487	0	38	-1.0	-51.27	316.71	4.62	-46.65
O=C(CC1=CC=CN=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213487	1	38	-1.0	-51.30	316.65	4.62	-46.68
O=C(C1=C2NC(=O)COC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213488	0	42	-1.0	-41.72	331.55	3.45	-38.27
O=C(C1=C2NC(=O)COC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213488	1	42	-1.0	-41.65	331.59	3.47	-38.18
CC(=NO)C1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1(C)C	REAL300020213489	0	49	-1.0	-45.96	360.91	3.90	-42.06
CC(=NO)C1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1(C)C	REAL300020213489	1	49	-1.0	-45.93	360.97	3.93	-42.00
O=C(COC1=NSN=C1N1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213490	0	48	-1.0	-45.72	384.76	0.85	-44.87
O=C(COC1=NSN=C1N1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213490	1	48	-1.0	-45.71	384.69	0.83	-44.88
CC1=CN=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CN12	REAL300020213491	0	42	-1.0	-52.27	328.40	6.50	-45.77
CC1=CN=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CN12	REAL300020213491	1	42	-1.0	-52.32	328.44	6.51	-45.81
CC1CC2=C(NN=C2)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213492	0	46	-1.0	-50.38	342.66	5.01	-45.37
CC1CC2=C(NN=C2)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213492	1	46	-1.0	-50.46	342.71	5.01	-45.45
O=C(CC(N1C=CN=C1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213493	0	42	-1.0	-50.53	334.51	6.52	-44.01
O=C(CC(N1C=CN=C1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213493	1	42	-1.0	-50.50	334.56	6.52	-43.98
O=C(C1=CC(N2C=CN=C2)=CC=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213494	0	44	-1.0	-50.12	343.57	5.63	-44.49
O=C(C1=CC(N2C=CN=C2)=CC=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213494	1	44	-1.0	-50.09	343.57	5.64	-44.45
O=C(C1=CSC(Br)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213495	0	32	-1.0	-45.69	284.32	3.80	-41.89
O=C(C1=CSC(Br)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213495	1	32	-1.0	-45.69	284.27	3.79	-41.90
CC(C)CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=CN=C1	REAL300020213496	0	48	-1.0	-43.24	357.20	8.02	-35.22
CC(C)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=CN=C1	REAL300020213496	1	48	-1.0	-43.24	357.25	8.03	-35.21
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1Cl	REAL300020213497	0	36	-1.0	-44.38	299.13	4.37	-40.01
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1Cl	REAL300020213497	1	36	-1.0	-44.36	299.03	4.36	-40.00
CN1CCCC1C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1	REAL300020213498	0	48	-1.0	-50.17	361.94	3.00	-47.17
CN1CCCC1C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1	REAL300020213498	1	48	-1.0	-50.18	362.00	3.02	-47.16
CN1C(=O)CSC1=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213499	0	39	-1.0	-47.34	311.76	4.20	-43.14
CN1C(=O)CSC1=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213499	1	39	-1.0	-47.33	311.81	4.21	-43.12
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)NC1=C(F)C=CC=C1F	REAL300020213500	0	46	-1.0	-50.29	369.13	5.67	-44.62
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)NC1=C(F)C=CC=C1F	REAL300020213500	1	46	-1.0	-53.17	376.29	5.06	-48.11
CC1=CC=CC2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N21	REAL300020213501	0	42	-1.0	-52.83	318.99	5.98	-46.85
CC1=CC=CC2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N21	REAL300020213501	1	42	-1.0	-52.78	318.94	5.97	-46.81
CC(=CC1=CC=NC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213502	0	42	-1.0	-49.37	319.18	5.58	-43.79
CC(=CC1=CC=NC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213502	1	42	-1.0	-49.37	319.19	5.59	-43.78
CC(=CC1=CC=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213503	0	42	-1.0	-45.14	324.84	6.82	-38.32
CC(=CC1=CC=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213503	1	42	-1.0	-45.14	324.88	6.82	-38.32
CC(=CC1=CC=CN=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213504	0	42	-1.0	-44.14	326.95	5.96	-38.18
CC(=CC1=CC=CN=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213504	1	42	-1.0	-44.23	326.99	5.97	-38.26
CC(=CC1=CC=CO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213505	0	40	-1.0	-50.96	307.67	5.78	-45.18
CC(=CC1=CC=CO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213505	1	40	-1.0	-50.95	307.70	5.79	-45.16
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC(=O)C2=CC=CC=C21	REAL300020213506	0	45	-1.0	-47.22	349.55	5.52	-41.70
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC(=O)C2=CC=CC=C21	REAL300020213506	1	45	-1.0	-47.25	349.59	5.53	-41.72
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL300020213507	0	51	-1.0	-54.94	370.08	7.05	-47.89
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL300020213507	1	51	-1.0	-54.97	370.13	7.07	-47.90
CCN1C(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020213508	0	46	-1.0	-50.14	362.10	5.37	-44.77
CCN1C(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020213508	1	46	-1.0	-50.18	362.14	5.38	-44.80
CSC1=CC(Br)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213509	0	40	-1.0	-48.02	336.39	6.89	-41.13
CSC1=CC(Br)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213509	1	40	-1.0	-47.96	336.35	6.91	-41.05
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(NC2CC2)=N1	REAL300020213510	0	47	-1.0	-48.51	362.71	5.55	-42.96
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(NC2CC2)=N1	REAL300020213510	1	47	-1.0	-48.54	362.77	5.55	-42.99
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300020213511	0	43	-1.0	-50.48	351.59	6.08	-44.40
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300020213511	1	43	-1.0	-50.49	351.64	6.09	-44.40
CC1=CC=C(C2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)C=C1C	REAL300020213512	0	48	-1.0	-50.17	382.15	7.40	-42.77
CC1=CC=C(C2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)C=C1C	REAL300020213512	1	48	-1.0	-50.11	382.10	7.39	-42.72
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213513	0	45	-1.0	-46.57	364.27	6.41	-40.16
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213513	1	45	-1.0	-46.56	364.32	6.42	-40.14
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213514	0	45	-1.0	-45.56	357.63	6.31	-39.25
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213514	1	45	-1.0	-45.58	357.68	6.32	-39.26
O=C(C1CCC2(CC2(F)F)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213515	0	46	-1.0	-50.31	336.61	7.11	-43.20
O=C(C1CCC2(CC2(F)F)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213515	1	46	-1.0	-50.29	336.66	7.11	-43.18
O=C(C1=CC=C(C(F)F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213516	0	39	-1.0	-51.14	317.69	6.28	-44.86
O=C(C1=CC=C(C(F)F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213516	1	39	-1.0	-51.18	317.65	6.30	-44.88
O=C(CC1OCC2=CC(Cl)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213517	0	44	-1.0	-50.24	358.69	6.44	-43.80
O=C(CC1OCC2=CC(Cl)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213517	1	44	-1.0	-50.26	358.75	6.45	-43.81
O=C(C1=CC=C(OCC(F)(F)F)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213518	0	40	-1.0	-46.36	334.43	5.43	-40.93
O=C(C1=CC=C(OCC(F)(F)F)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213518	1	40	-1.0	-46.38	334.48	5.44	-40.94
NC1=C(Cl)C(F)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020213519	0	38	-1.0	-44.38	324.60	4.40	-39.98
NC1=C(Cl)C(F)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020213519	1	38	-1.0	-44.40	324.60	4.42	-39.98
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213520	0	47	-1.0	-54.13	381.53	1.85	-52.28
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213520	1	47	-1.0	-54.11	381.59	1.86	-52.25
O=C(C1=CSC(N2CCCCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213521	0	47	-1.0	-48.53	360.26	5.80	-42.73
O=C(C1=CSC(N2CCCCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213521	1	47	-1.0	-48.50	360.20	5.78	-42.72
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213522	0	43	-1.0	-48.72	345.12	4.20	-44.52
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213522	1	43	-1.0	-48.73	345.17	4.19	-44.54
O=C(C1=CC2=CN=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213523	0	41	-1.0	-48.87	321.23	5.88	-42.99
O=C(C1=CC2=CN=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213523	1	41	-1.0	-48.89	321.20	5.88	-43.01
O=C(N1CCCCC1CC1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL300020213524	0	46	0.0	-61.37	312.03	5.02	-56.35
O=C(N1CCCCC1CC1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL300020213524	1	46	0.0	-67.25	310.32	4.86	-62.39
O=C(N1CCCCC1CC1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL300020213524	1	46	0.0	-61.31	312.08	5.03	-56.28
O=C(N1CCCCC1CC1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL300020213524	1	46	0.0	-67.27	310.37	4.86	-62.41
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213525	0	54	-1.0	-48.63	392.29	6.24	-42.39
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213525	1	54	-1.0	-48.63	392.30	6.24	-42.39
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020213526	0	46	-1.0	-56.25	380.51	-0.64	-56.89
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020213526	1	46	-1.0	-56.21	380.57	-0.61	-56.82
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213527	0	39	-1.0	-49.29	308.88	1.40	-47.89
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213527	1	39	-1.0	-49.33	308.85	1.42	-47.91
O=C(C1=C2NC=NC2=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213528	0	38	-1.0	-44.88	295.51	3.10	-41.78
O=C(C1=CNC=C2N=CN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213528	1	38	-1.0	-53.77	294.22	3.81	-49.96
O=C(C1=CNC=C2N=CN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213528	1	38	-1.0	-53.80	294.17	3.84	-49.96
O=C(C1=C2NC=NC2=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213528	1	38	-1.0	-44.84	295.55	3.11	-41.73
CC1=CC=C(C)C(C2=NOC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)=C1	REAL300020214529	0	50	-1.0	-54.56	384.20	7.92	-46.64
CC1=CC=C(C)C(C2=NOC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)=C1	REAL300020214529	1	50	-1.0	-54.54	384.27	7.94	-46.60
CC1CCC2=C(C1)C(C(=O)N1CCCCC1CC1=N[N-]N=N1)=NN2	REAL300020214530	0	46	-1.0	-53.91	340.30	5.52	-48.39
CC1CCC2=C(C1)C(C(=O)N1CCCCC1CC1=NN=N[N-]1)=NN2	REAL300020214530	1	46	-1.0	-53.88	340.36	5.54	-48.34
O=C(C1=CC=CN2N=CC(Br)=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214531	0	39	-1.0	-50.47	328.67	5.90	-44.57
O=C(C1=CC=CN2N=CC(Br)=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214531	1	39	-1.0	-50.49	328.60	5.89	-44.60
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214532	0	50	-1.0	-51.35	350.89	7.13	-44.22
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214532	1	50	-1.0	-51.33	350.95	7.14	-44.19
O=C(C1=CC=C(CN2C=C(Cl)C=N2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214533	0	43	-1.0	-49.45	371.93	6.68	-42.77
O=C(C1=CC=C(CN2C=C(Cl)C=N2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214533	1	43	-1.0	-49.42	371.88	6.69	-42.73
CCC1=NC(C)=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020214534	0	49	-1.0	-52.59	375.88	5.60	-46.99
CCC1=NC(C)=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020214534	1	49	-1.0	-52.58	375.95	5.60	-46.98
O=C(CC(F)(F)C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214535	0	35	-1.0	-55.60	287.27	4.66	-50.94
O=C(CC(F)(F)C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214535	1	35	-1.0	-55.61	287.32	4.67	-50.94
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214536	0	43	-1.0	-59.46	324.01	1.41	-58.05
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214536	1	43	-1.0	-59.42	324.07	1.41	-58.01
O=C(C1=NSC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214537	0	38	-1.0	-48.69	306.17	5.92	-42.77
O=C(C1=NSC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214537	1	38	-1.0	-48.71	306.12	5.90	-42.81
CC(C)(C)N1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020214538	0	52	-1.0	-55.75	366.27	5.80	-49.95
CC(C)(C)N1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020214538	1	52	-1.0	-55.70	366.22	5.80	-49.90
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214539	0	46	-1.0	-49.51	356.15	8.20	-41.31
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214539	1	46	-1.0	-49.42	356.22	8.21	-41.21
CC(=O)C1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214540	0	40	-1.0	-52.61	316.56	3.97	-48.64
CC(=O)C1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214540	1	40	-1.0	-52.64	316.60	3.98	-48.66
O=C(CCCC1=CC=C(C2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214541	0	52	-1.0	-49.38	400.09	9.79	-39.59
O=C(CCCC1=CC=C(C2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214541	1	52	-1.0	-49.35	400.15	9.80	-39.55
COC1=CC(OC)=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214542	0	42	-1.0	-49.73	334.93	0.56	-49.17
COC1=CC(OC)=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214542	1	42	-1.0	-49.68	334.87	0.53	-49.15
O=C(C1=NOC(CC2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214543	0	45	-1.0	-48.41	357.93	7.88	-40.53
O=C(C1=NOC(CC2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214543	1	45	-1.0	-48.41	357.98	7.92	-40.49
COC1=CC2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020214544	0	45	-1.0	-52.22	353.03	5.21	-47.01
COC1=CC2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020214544	1	45	-1.0	-52.21	353.00	5.19	-47.02
CC(C)C[C@H](C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CC2=CC=CC=C2C1=O	REAL300020214545	0	56	-1.0	-69.73	415.00	9.81	-59.92
CC(C)C[C@H](C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CC2=CC=CC=C2C1=O	REAL300020214545	1	56	-1.0	-69.74	415.03	9.82	-59.92
CC1=C(C2=CC=CC=C2)N(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)S1	REAL300020214546	0	49	-1.0	-53.86	392.58	7.37	-46.49
CC1=C(C2=CC=CC=C2)N(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)S1	REAL300020214546	1	49	-1.0	-53.85	392.64	7.39	-46.46
O=C(C1=NN2CCCC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214547	0	42	-1.0	-58.94	325.83	4.51	-54.43
O=C(C1=NN2CCCC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214547	1	42	-1.0	-58.94	325.88	4.51	-54.43
CC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020214548	0	44	-1.0	-49.96	336.91	6.50	-43.46
CC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020214548	1	44	-1.0	-50.00	336.94	6.49	-43.51
O=C(C1CC(C2=CC=CC=N2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214549	0	43	-1.0	-58.26	339.31	4.97	-53.29
O=C(C1CC(C2=CC=CC=N2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214549	1	43	-1.0	-58.26	339.25	4.96	-53.30
CC1=CC(Br)=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214550	0	39	-1.0	-47.01	334.69	6.91	-40.10
CC1=CC(Br)=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214550	1	39	-1.0	-46.98	334.74	6.91	-40.07
CCN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1CC1	REAL300020214551	0	46	-1.0	-54.72	353.55	6.62	-48.10
CCN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1CC1	REAL300020214551	1	46	-1.0	-54.69	353.60	6.63	-48.06
O=C(C1=CC(C2=CNC3=CC=CC=C23)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214552	0	47	-1.0	-51.01	372.50	5.81	-45.20
O=C(C1=CC(C2=CNC3=CC=CC=C23)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214552	1	47	-1.0	-51.07	372.59	5.83	-45.24
CC1=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Br	REAL300020214553	0	43	-1.0	-50.91	351.49	7.25	-43.66
CC1=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Br	REAL300020214553	1	43	-1.0	-50.98	351.54	7.26	-43.72
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214554	0	48	-1.0	-47.94	340.13	6.59	-41.35
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214554	1	48	-1.0	-47.91	340.16	6.60	-41.31
O=C(C1=CC=CC(NCC2=CN=CS2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214555	0	47	-1.0	-52.04	381.30	5.24	-46.80
O=C(C1=CC=CC(NCC2=CN=CS2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214555	1	47	-1.0	-52.07	381.26	5.23	-46.84
CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Br	REAL300020214556	0	42	-1.0	-46.10	339.06	7.25	-38.85
CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Br	REAL300020214556	1	42	-1.0	-46.12	339.10	7.25	-38.87
O=C(NC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214557	0	43	-1.0	-42.51	350.97	4.78	-37.73
O=C(NC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214557	1	43	-1.0	-42.55	351.03	4.79	-37.76
COC1=CC=CC(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214558	0	43	-1.0	-51.03	340.00	5.70	-45.33
COC1=CC=CC(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214558	1	43	-1.0	-51.02	340.05	5.72	-45.30
O=C(C1=CC=CN(CC(F)(F)F)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214559	0	42	-1.0	-63.55	341.15	5.46	-58.09
O=C(C1=CC=CN(CC(F)(F)F)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214559	1	42	-1.0	-63.53	341.20	5.47	-58.06
CC1=CC(C#N)=CC(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214560	0	46	-1.0	-49.65	358.12	7.89	-41.76
CC1=CC(C#N)=CC(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214560	1	46	-1.0	-49.66	358.17	7.91	-41.75
O=C(CCN1SC2=CC=CC=C2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214561	0	45	-1.0	-60.00	366.83	6.87	-53.13
O=C(CCN1SC2=CC=CC=C2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214561	1	45	-1.0	-60.01	366.89	6.87	-53.14
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020214562	0	44	-1.0	-44.37	366.48	8.33	-36.04
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020214562	1	44	-1.0	-44.36	366.53	8.33	-36.03
CC1=NNC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C12	REAL300020214563	0	42	-1.0	-53.02	326.15	4.67	-48.35
CC1=NNC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C12	REAL300020214563	1	42	-1.0	-53.01	326.16	4.68	-48.33
CC1=CC=CN=C1OC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214564	0	49	-1.0	-51.08	387.34	6.41	-44.67
CC1=CC=CN=C1OC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214564	1	49	-1.0	-51.05	387.30	6.41	-44.64
O=C(C1CC2=CC(F)=CC=C2NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214565	0	44	-1.0	-44.30	341.98	4.65	-39.65
O=C(C1CC2=CC(F)=CC=C2NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214565	1	44	-1.0	-44.32	342.12	4.66	-39.66
O=C(C1CCOC2(CCCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214566	0	50	-1.0	-51.74	352.03	5.84	-45.90
O=C(C1CCOC2(CCCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214566	1	50	-1.0	-51.73	352.09	5.87	-45.86
CCS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214567	0	48	-1.0	-62.28	377.31	4.83	-57.45
CCS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214567	1	48	-1.0	-62.20	377.37	4.84	-57.36
C[N@H+](CC(=O)N1CCCCC1CC1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300020214568	0	49	0.0	-47.62	349.51	3.59	-44.03
C[N@@H+](CC(=O)N1CCCCC1CC1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300020214568	1	49	0.0	-49.92	348.08	3.46	-46.46
CN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300020214568	1	48	-1.0	-50.17	348.09	1.46	-48.71
CN1CCN(CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)CC1	REAL300020214569	0	53	-1.0	-50.26	404.41	3.72	-46.54
CN1CCN(CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)CC1	REAL300020214569	1	53	-1.0	-50.28	404.46	3.73	-46.55
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)CC1	REAL300020214569	1	54	0.0	-74.21	408.43	5.89	-68.32
COC1=NSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020214570	0	36	-1.0	-46.46	316.01	2.04	-44.42
COC1=NSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020214570	1	36	-1.0	-46.46	315.98	2.03	-44.43
CC(C)(CO)C1=NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1	REAL300020214571	0	52	-1.0	-53.65	397.46	3.44	-50.21
CC(C)(CO)C1=NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1	REAL300020214571	1	52	-1.0	-53.64	397.49	3.46	-50.18
O=C(CC1=NN=C(C2CC2)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214572	0	42	-1.0	-61.23	333.53	4.86	-56.37
O=C(CC1=NN=C(C2CC2)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214572	1	42	-1.0	-61.19	333.59	4.89	-56.30
O=C(CN1N=NC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214573	0	41	-1.0	-56.98	330.29	4.22	-52.76
O=C(CN1N=NC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214573	1	41	-1.0	-56.95	330.22	4.21	-52.74
CCN(CC(C)C)C1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020214574	0	55	-1.0	-51.48	425.77	7.54	-43.94
CCN(CC(C)C)C1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020214574	1	55	-1.0	-51.47	425.84	7.57	-43.90
CC1=CC=CC(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=C1	REAL300020214575	0	49	-1.0	-50.80	377.87	9.63	-41.17
CC1=CC=CC(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=C1	REAL300020214575	1	49	-1.0	-50.90	377.91	9.64	-41.26
CC(C)N1C=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214576	0	42	-1.0	-51.41	340.78	5.73	-45.68
CC(C)N1C=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214576	1	42	-1.0	-51.42	340.73	5.73	-45.69
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1C#N	REAL300020214577	0	43	-1.0	-45.78	339.20	6.77	-39.01
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1C#N	REAL300020214577	1	43	-1.0	-45.83	339.23	6.77	-39.06
CCCCCC(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214578	0	48	-1.0	-44.37	366.55	4.23	-40.14
CCCCCC(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214578	1	48	-1.0	-44.33	366.60	4.24	-40.09
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214579	0	59	-1.0	-52.94	431.79	6.05	-46.89
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214579	1	59	-1.0	-52.94	431.84	6.07	-46.87
CCNC1=NC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214580	0	43	-1.0	-49.40	344.48	4.02	-45.38
CCNC1=NC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214580	1	43	-1.0	-49.40	344.49	4.03	-45.37
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(NC2CC2)=N1	REAL300020214581	0	44	-1.0	-48.99	355.75	4.94	-44.05
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(NC2CC2)=N1	REAL300020214581	1	44	-1.0	-49.01	355.78	4.94	-44.07
C=CCNC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214582	0	41	-1.0	-49.37	335.32	3.82	-45.55
C=CCNC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214582	1	41	-1.0	-49.37	335.26	3.81	-45.56
COC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=CC=C1	REAL300020214583	0	44	-1.0	-52.56	339.87	5.04	-47.52
COC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=CC=C1	REAL300020214583	1	44	-1.0	-52.53	339.92	5.04	-47.49
CC1=CC=CC=C1C1=NOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214584	0	47	-1.0	-55.05	362.78	7.26	-47.79
CC1=CC=CC=C1C1=NOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214584	1	47	-1.0	-55.07	362.84	7.27	-47.80
O=C(CC1=CC(Br)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020214585	0	39	-1.0	-46.63	338.80	7.54	-39.09
O=C(CC1=CC(Br)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020214585	1	39	-1.0	-46.60	338.85	7.56	-39.04
CC1=CC(C)=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020214586	0	45	-1.0	-56.69	350.99	4.12	-52.57
CC1=CC(C)=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020214586	1	45	-1.0	-56.63	351.06	4.13	-52.50
CNC(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214587	0	45	-1.0	-64.02	351.36	2.89	-61.13
CNC(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214587	1	45	-1.0	-64.02	351.40	2.89	-61.13
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300020214588	0	40	-1.0	-34.80	346.57	5.51	-29.29
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300020214588	1	40	-1.0	-34.86	346.62	5.52	-29.34
CC1=CSC(CNC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020214589	0	50	-1.0	-53.25	405.29	5.89	-47.36
CC1=CSC(CNC2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020214589	1	50	-1.0	-53.24	405.25	5.87	-47.37
O=C(CC1(O)CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214590	0	44	-1.0	-50.25	325.11	1.77	-48.48
O=C(CC1(O)CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214590	1	44	-1.0	-50.24	325.18	1.78	-48.46
O=C(C1=CC=C2NC=CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214591	0	39	-1.0	-54.44	304.08	4.44	-50.00
O=C(C1=CC=C2NC=CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214591	1	39	-1.0	-54.49	304.13	4.44	-50.05
CN1C=NC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214592	0	40	-1.0	-54.07	316.24	6.37	-47.70
CN1C=NC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214592	1	40	-1.0	-54.06	316.29	6.38	-47.68
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020214593	0	57	-1.0	-50.27	406.06	6.75	-43.52
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020214593	1	57	-1.0	-50.29	406.10	6.76	-43.53
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020214594	0	57	-1.0	-44.90	416.05	6.63	-38.27
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020214594	1	57	-1.0	-44.92	416.11	6.65	-38.27
CCOC(=O)N1CSCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214595	0	45	-1.0	-49.24	356.53	4.63	-44.61
CCOC(=O)N1CSCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214595	1	45	-1.0	-49.22	356.59	4.64	-44.58
CC1CCC(C(=O)CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020214596	0	53	-1.0	-44.07	388.48	7.62	-36.45
CC1CCC(C(=O)CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020214596	1	53	-1.0	-44.10	388.55	7.65	-36.45
O=C(C1=CC=C(N2CCCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214597	0	54	-1.0	-50.05	381.77	6.95	-43.10
O=C(C1=CC=C(N2CCCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214597	1	54	-1.0	-50.03	381.80	6.96	-43.07
CC(SC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214598	0	43	-1.0	-46.77	351.61	7.27	-39.50
CC(SC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214598	1	43	-1.0	-46.76	351.67	7.28	-39.48
O=C(C1=C(C(F)F)SC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214599	0	36	-1.0	-41.00	299.92	5.76	-35.24
O=C(C1=C(C(F)F)SC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214599	1	36	-1.0	-40.97	300.09	5.76	-35.21
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214600	0	49	-1.0	-47.45	381.32	9.08	-38.37
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214600	1	49	-1.0	-47.44	381.38	9.08	-38.36
O=C(C1=CC=C(CN2C=CN=N2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214601	0	42	-1.0	-55.38	338.23	4.34	-51.04
O=C(C1=CC=C(CN2C=CN=N2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214601	1	42	-1.0	-55.36	338.18	4.32	-51.04
O=C(C1=CN(C2=CC=CC=N2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214602	0	42	-1.0	-54.03	335.14	5.60	-48.43
O=C(C1=CN(C2=CC=CC=N2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214602	1	42	-1.0	-54.00	335.10	5.58	-48.42
CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020214603	0	42	-1.0	-48.12	342.36	7.28	-40.84
CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020214603	1	42	-1.0	-48.07	342.42	7.30	-40.77
O=C(CC1=CC=C(O)C(O)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214604	0	41	-1.0	-50.42	325.05	1.57	-48.85
O=C(CC1=CC=C(O)C(O)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214604	1	41	-1.0	-50.40	325.10	1.58	-48.82
O=C(C[NH+]1CCC(CO)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214605	0	49	0.0	-48.97	348.82	3.41	-45.56
O=C(CN1CCC(CO)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214605	1	48	-1.0	-48.11	355.43	0.77	-47.34
O=C(CN1CCC(CO)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214605	1	48	-1.0	-48.09	355.49	0.79	-47.30
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214606	0	41	-1.0	-56.21	343.94	7.55	-48.66
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214606	1	41	-1.0	-56.20	344.00	7.56	-48.64
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C=O	REAL300020214607	0	38	-1.0	-59.56	304.12	3.30	-56.26
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C=O	REAL300020214607	1	38	-1.0	-59.55	304.07	3.30	-56.25
O=C(C1=CS(=O)(=O)CCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214608	0	40	-1.0	-63.09	309.26	1.48	-61.61
O=C(C1=CS(=O)(=O)CCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214608	1	40	-1.0	-63.07	309.31	1.50	-61.57
O=C(C1CCC2(CC1)N=N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214609	0	42	-1.0	-49.15	313.92	0.38	-48.77
O=C(C1CCC2(CC1)N=N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214609	1	42	-1.0	-49.17	313.98	0.38	-48.79
O=CC1=CC=C(C2=CC=C(O)C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)O1	REAL300020214610	0	46	-1.0	-51.50	371.23	4.74	-46.76
O=CC1=CC=C(C2=CC=C(O)C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)O1	REAL300020214610	1	46	-1.0	-51.45	371.19	4.76	-46.69
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)O1	REAL300020214610	1	45	-2.0	-114.73	367.65	5.67	-109.06
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)O1	REAL300020214610	1	45	-2.0	-114.78	367.61	5.70	-109.08
O=C(C1=CC=NC(Cl)=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020214611	0	35	-1.0	-47.44	305.49	4.53	-42.91
O=C(C1=CC=NC(Cl)=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020214611	1	35	-1.0	-47.42	305.47	4.52	-42.90
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214612	0	48	0.0	-72.14	331.85	2.46	-69.68
CC1CN2CC[N@H+]1CC2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214612	1	48	0.0	-69.75	331.83	2.48	-67.27
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214612	1	48	0.0	-72.20	331.91	2.48	-69.72
CC1CN2CC[N@H+]1CC2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214612	1	48	0.0	-69.79	331.89	2.49	-67.30
CC1CN2CCN1CC2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214612	1	47	-1.0	-45.37	324.10	2.18	-43.19
CC1CN2CCN1CC2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214612	1	47	-1.0	-45.35	324.15	2.18	-43.17
O=C(C1=NN2CCCC(O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214613	0	44	-1.0	-53.55	333.75	2.07	-51.48
O=C(C1=NN2CCCC(O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214613	1	44	-1.0	-53.57	333.80	2.08	-51.49
O=C(C1=C2N=CNC2=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214614	0	39	-1.0	-63.71	315.30	5.32	-58.39
O=C(C1=C2N=CNC2=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214614	1	39	-1.0	-63.71	315.36	5.33	-58.38
O=C(C1=C2NC=NC2=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214614	1	39	-1.0	-48.65	315.40	5.33	-43.32
O=C(C1=C2NC=NC2=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214614	1	39	-1.0	-48.67	315.45	5.33	-43.34
O=C(C1=NC=C(C(F)(F)F)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020214615	0	38	-1.0	-44.65	324.73	5.96	-38.69
O=C(C1=NC=C(C(F)(F)F)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020214615	1	38	-1.0	-44.63	324.67	5.95	-38.68
CC1=CC(C)=NN1CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214616	0	48	-1.0	-58.33	369.71	6.36	-51.97
CC1=CC(C)=NN1CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214616	1	48	-1.0	-58.33	369.77	6.38	-51.95
O=C(C1=NC=CC2=CC=CN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214617	0	40	-1.0	-60.09	315.33	4.85	-55.24
O=C(C1=NC=CC2=CC=CN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214617	1	40	-1.0	-60.09	315.30	4.82	-55.27
CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCS(=O)(=O)N1	REAL300020214618	0	44	-1.0	-51.94	330.49	0.76	-51.18
CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCS(=O)(=O)N1	REAL300020214618	1	44	-1.0	-51.93	330.53	0.78	-51.15
O=C(C1=CC=NC2=CC(Cl)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214619	0	41	-1.0	-46.96	334.28	6.35	-40.61
O=C(C1=CC=NC2=CC(Cl)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214619	1	41	-1.0	-46.98	334.23	6.31	-40.67
O=C(C1=CC=C2OCCNC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214620	0	45	-1.0	-57.24	350.64	2.78	-54.46
O=C(C1=CC=C2OCCNC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214620	1	45	-1.0	-57.24	350.69	2.80	-54.44
O=C(CC1C(=O)NC2=C(F)C=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214621	0	44	-1.0	-55.50	346.96	5.90	-49.60
O=C(CC1C(=O)NC2=C(F)C=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214621	1	44	-1.0	-55.50	347.02	5.91	-49.59
CC1=CC=CN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020214622	0	43	-1.0	-54.43	331.30	7.48	-46.95
CC1=CC=CN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020214622	1	43	-1.0	-54.46	331.37	7.51	-46.95
COC1=CC=CC(CC(C)CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214623	0	52	-1.0	-50.71	387.19	7.82	-42.89
COC1=CC=CC(CC(C)CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214623	1	52	-1.0	-50.76	387.22	7.84	-42.92
CC(C)C1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCO1	REAL300020214624	0	49	-1.0	-48.60	350.67	5.61	-42.99
CC(C)C1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCO1	REAL300020214624	1	49	-1.0	-48.58	350.72	5.63	-42.95
O=C(C1=CC=CC2=C1CCOC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214625	0	44	-1.0	-51.23	327.97	5.37	-45.86
O=C(C1=CC=CC2=C1CCOC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214625	1	44	-1.0	-51.24	328.00	5.38	-45.86
O=C(CC1CCCC(C(F)(F)F)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214626	0	46	-1.0	-54.87	356.67	6.33	-48.54
O=C(CC1CCCC(C(F)(F)F)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214626	1	46	-1.0	-54.88	356.72	6.34	-48.54
O=C(CC1CCCC1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214627	0	42	-1.0	-45.21	321.94	5.83	-39.38
O=C(CC1CCCC1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214627	1	42	-1.0	-45.24	322.00	5.83	-39.41
COC1(C(=O)N2CCCCC2CC2=N[N-]N=N2)CS(=O)(=O)C1	REAL300020214628	0	40	-1.0	-49.94	312.70	0.11	-49.83
COC1(C(=O)N2CCCCC2CC2=NN=N[N-]2)CS(=O)(=O)C1	REAL300020214628	1	40	-1.0	-49.91	312.75	0.12	-49.79
O=C(CC1CCC(C2CC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214629	0	47	-1.0	-55.59	350.24	6.79	-48.80
O=C(CC1CCC(C2CC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214629	1	47	-1.0	-55.60	350.29	6.79	-48.81
O=C([C@H]1CC[C@H](NC2=CN=CC=N2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214630	0	52	-1.0	-54.10	382.49	4.69	-49.41
O=C([C@H]1CC[C@H](NC2=CN=CC=N2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214630	1	52	-1.0	-54.05	382.45	4.67	-49.38
COC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214631	0	42	-1.0	-53.26	322.86	3.49	-49.77
COC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214631	1	42	-1.0	-53.31	322.93	3.50	-49.81
CC(C)(C1=NN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1)S(C)(=O)=O	REAL300020214632	0	46	-1.0	-61.27	368.46	-2.05	-63.32
CC(C)(C1=NN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1)S(C)(=O)=O	REAL300020214632	1	46	-1.0	-61.22	368.40	-2.08	-63.30
O=C([C@H]1CC[C@H](NC2=NC=CC=N2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214633	0	52	-1.0	-54.58	388.32	7.56	-47.02
O=C([C@H]1CC[C@H](NC2=NC=CC=N2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214633	1	52	-1.0	-54.58	388.26	7.54	-47.04
O=C(C1CS(=O)(=O)CC(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214634	0	40	-1.0	-54.51	323.85	-2.08	-56.59
O=C(C1CS(=O)(=O)CC(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214634	1	40	-1.0	-54.56	323.91	-2.07	-56.63
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214635	0	46	-1.0	-48.20	315.99	6.63	-41.57
O=C(C1CC[C@@H]2C[C@@H]2CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214635	1	46	-1.0	-48.24	316.04	6.64	-41.60
O=C(C1=NC=C(Br)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214636	0	34	-1.0	-50.00	291.72	3.91	-46.09
O=C(C1=NC=C(Br)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214636	1	34	-1.0	-49.94	291.66	3.89	-46.05
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214637	0	58	0.0	-73.12	437.61	8.58	-64.54
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214637	1	58	0.0	-73.08	437.67	8.59	-64.49
COC(=O)C1=CC=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020214638	0	45	-1.0	-63.96	364.82	6.13	-57.83
COC(=O)C1=CC=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020214638	1	45	-1.0	-63.96	364.88	6.13	-57.83
O=C(C1CCCN(CC(F)(F)F)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214639	0	46	-1.0	-50.69	351.31	5.06	-45.63
O=C(C1CCCN(CC(F)(F)F)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214639	1	46	-1.0	-50.70	351.46	5.08	-45.62
O=CC1=CNC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020214640	0	42	-1.0	-52.98	335.14	5.17	-47.81
O=CC1=CNC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020214640	1	42	-1.0	-53.01	335.17	5.17	-47.84
COC(=O)C1=CC(F)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214641	0	42	-1.0	-48.73	343.47	6.26	-42.47
COC(=O)C1=CC(F)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214641	1	42	-1.0	-48.70	343.51	6.29	-42.41
O=CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020214642	0	37	-1.0	-50.85	296.49	4.17	-46.68
O=CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020214642	1	37	-1.0	-50.80	296.44	4.17	-46.63
CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C=O	REAL300020214643	0	39	-1.0	-52.10	305.39	4.20	-47.90
CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C=O	REAL300020214643	1	39	-1.0	-52.05	305.46	4.20	-47.85
O=CC1=CC=CN1C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214644	0	49	-1.0	-53.33	390.53	8.57	-44.76
O=CC1=CC=CN1C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214644	1	49	-1.0	-53.34	390.61	8.57	-44.77
C=CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020214645	0	57	-1.0	-52.53	422.26	6.62	-45.91
C=CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020214645	1	57	-1.0	-52.52	422.25	6.63	-45.89
CC(C)C[NH+]1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020214646	0	54	0.0	-64.43	378.09	7.78	-56.65
CC(C)C[NH+]1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020214646	1	54	0.0	-64.43	378.14	7.78	-56.65
O=C(C1CC2(C1)CS(=O)(=O)C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214647	0	43	-1.0	-51.93	335.98	2.38	-49.55
O=C(C1CC2(C1)CS(=O)(=O)C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214647	1	43	-1.0	-52.00	336.03	2.38	-49.62
NS(=O)(=O)C1=C(Cl)OC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214648	0	38	-1.0	-49.93	332.31	-0.84	-50.77
NS(=O)(=O)C1=C(Cl)OC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214648	1	38	-1.0	-49.93	332.36	-0.83	-50.76
O=C(C1=CN(C(F)(F)CO)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214649	0	39	-1.0	-49.83	320.37	-0.02	-49.85
O=C(C1=CN(C(F)(F)CO)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214649	1	39	-1.0	-49.83	320.32	-0.02	-49.85
O=CC1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214650	0	37	-1.0	-53.68	298.32	3.28	-50.40
O=CC1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214650	1	37	-1.0	-53.62	298.29	3.27	-50.35
CC(C)N1C=CN=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214651	0	42	-1.0	-48.47	317.88	6.18	-42.29
CC(C)N1C=CN=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214651	1	42	-1.0	-48.44	317.83	6.17	-42.27
COC1=NSC(OC)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214652	0	40	-1.0	-49.52	336.77	0.56	-48.96
COC1=NSC(OC)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214652	1	40	-1.0	-49.50	336.71	0.54	-48.96
CC1=CC=C(C#N)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214653	0	40	-1.0	-41.44	321.27	6.84	-34.60
CC1=CC=C(C#N)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214653	1	40	-1.0	-41.40	321.32	6.85	-34.55
CN1N=C(C(F)(F)F)C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C21	REAL300020214654	0	44	-1.0	-46.07	364.05	5.37	-40.70
CN1N=C(C(F)(F)F)C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C21	REAL300020214654	1	44	-1.0	-46.06	364.01	5.36	-40.70
O=C(C1=C2CCCNC2=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214655	0	42	-1.0	-48.40	317.76	2.91	-45.49
O=C(C1=C2CCCNC2=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214655	1	42	-1.0	-48.42	317.81	2.93	-45.49
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)SC(CS(C)(=O)=O)=N1	REAL300020214656	0	47	-1.0	-60.40	393.00	2.45	-57.95
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)SC(CS(C)(=O)=O)=N1	REAL300020214656	1	47	-1.0	-60.40	393.05	2.47	-57.93
O=C(C1=C2C=CC=CC2=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214657	0	38	-1.0	-48.03	300.63	5.23	-42.80
O=C(C1=C2C=CC=CC2=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214657	1	38	-1.0	-48.03	300.58	5.21	-42.82
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214658	0	36	-2.0	-107.15	316.84	5.24	-101.91
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214658	1	36	-2.0	-107.24	316.86	5.25	-101.99
O=C(C1=CC=C2OC=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214659	0	38	-1.0	-51.97	301.82	2.29	-49.68
O=C(C1=CC=C2OC=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214659	1	38	-1.0	-51.91	301.78	2.29	-49.62
CC1=NNC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214660	0	42	-1.0	-47.33	330.95	3.78	-43.55
CC1=NNC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214660	1	42	-1.0	-47.29	331.01	3.78	-43.51
O=C(C1=CC2=NNC=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214661	0	38	-1.0	-52.97	300.59	2.29	-50.68
O=C(C1=CC2=NNC=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214661	1	38	-1.0	-52.97	300.59	2.29	-50.68
O=C(C1=CC=C(CO)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214662	0	39	-1.0	-48.92	305.63	0.99	-47.93
O=C(C1=CC=C(CO)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214662	1	39	-1.0	-48.95	305.66	1.00	-47.95
CC1(O)CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020214663	0	49	-1.0	-48.87	346.36	3.86	-45.01
CC1(O)CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020214663	1	49	-1.0	-48.85	346.39	3.87	-44.98
CC(C)[C@H](NC(N)=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214664	0	44	-1.0	-45.58	322.08	0.29	-45.29
CC(C)[C@H](NC(N)=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214664	1	44	-1.0	-45.66	322.16	0.31	-45.35
CC1=CC(C=O)=C(O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214665	0	42	-1.0	-59.33	330.09	4.80	-54.53
CC1=CC(C=O)=C(O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214665	1	42	-1.0	-59.31	330.08	4.82	-54.49
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214665	1	41	-2.0	-126.99	326.56	5.89	-121.10
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214665	1	41	-2.0	-127.07	326.57	5.89	-121.18
C=C(CCC(=O)OC)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214666	0	42	-1.0	-45.77	316.74	5.03	-40.74
C=C(CCC(=O)OC)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214666	1	42	-1.0	-45.77	316.75	5.03	-40.74
O=C(CC1=CC=CC2=NSN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214667	0	40	-1.0	-52.91	331.99	4.36	-48.55
O=C(CC1=CC=CC2=NSN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214667	1	40	-1.0	-52.90	332.06	4.37	-48.53
CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214668	0	42	-1.0	-48.48	339.71	1.02	-47.46
CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214668	1	42	-1.0	-48.49	339.76	1.03	-47.46
COC1=CC=C2NC=CC2=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214669	0	44	-1.0	-60.72	343.35	4.98	-55.74
COC1=CC=C2NC=CC2=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214669	1	44	-1.0	-60.73	343.40	4.99	-55.74
O=C(CC1C=CS(=O)(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214670	0	40	-1.0	-53.52	321.49	1.48	-52.04
O=C(CC1C=CS(=O)(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214670	1	40	-1.0	-53.53	321.56	1.49	-52.04
CN(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C=O	REAL300020214671	0	46	-1.0	-51.49	358.64	5.18	-46.31
CN(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C=O	REAL300020214671	1	46	-1.0	-51.47	358.68	5.20	-46.27
CN1CCN2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2S1(=O)=O	REAL300020214672	0	45	-1.0	-70.69	361.19	0.38	-70.31
CN1CCN2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2S1(=O)=O	REAL300020214672	1	45	-1.0	-70.68	361.11	0.36	-70.32
CC1CC2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C[N@@H+]2C1	REAL300020214673	0	52	0.0	-56.37	364.31	7.30	-49.07
CC1CC2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C[N@H+]2C1	REAL300020214673	1	52	0.0	-51.46	363.57	7.24	-44.22
CC1CC2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C[N@@H+]2C1	REAL300020214673	1	52	0.0	-56.32	364.36	7.30	-49.02
CC1CC2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C[N@H+]2C1	REAL300020214673	1	52	0.0	-51.46	363.63	7.25	-44.21
O=C(C1=CN2C=CNC(=O)C2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214674	0	39	-1.0	-58.58	311.56	3.75	-54.83
O=C(C1=CN2C=CNC(=O)C2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214674	1	39	-1.0	-58.60	311.62	3.73	-54.87
O=C(C1=CSC2=CN=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214675	0	36	-1.0	-41.62	295.75	5.75	-35.87
O=C(C1=CSC2=CN=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214675	1	36	-1.0	-41.67	295.77	5.76	-35.91
CN1C=CN=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214676	0	42	-1.0	-49.35	329.85	5.21	-44.14
CN1C=CN=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214676	1	42	-1.0	-49.29	329.91	5.24	-44.05
O=C(C1=CN(CCO)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214677	0	40	-1.0	-50.22	315.05	0.36	-49.86
O=C(C1=CN(CCO)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214677	1	40	-1.0	-50.27	315.00	0.35	-49.92
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214678	0	52	0.0	-63.02	344.01	6.82	-56.20
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214678	1	52	0.0	-47.55	346.22	7.48	-40.07
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214678	1	52	0.0	-63.06	344.05	6.83	-56.23
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214678	1	52	0.0	-47.54	346.27	7.48	-40.06
CCOC(=O)NC1=CC=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214679	0	47	-1.0	-49.43	374.30	4.58	-44.85
CCOC(=O)NC1=CC=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214679	1	47	-1.0	-49.43	374.34	4.59	-44.84
CN1C=C(N2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CCC2=O)C=N1	REAL300020214680	0	50	-1.0	-51.07	372.97	4.84	-46.23
CN1C=C(N2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CCC2=O)C=N1	REAL300020214680	1	50	-1.0	-51.03	372.92	4.81	-46.22
CCOC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020214681	0	47	-1.0	-52.89	383.04	5.03	-47.86
CCOC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020214681	1	47	-1.0	-52.90	383.08	5.04	-47.86
COC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020214682	0	44	-1.0	-53.24	361.19	4.11	-49.13
COC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020214682	1	44	-1.0	-53.23	361.22	4.11	-49.12
CC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020214683	0	43	-1.0	-52.55	350.77	4.91	-47.64
CC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020214683	1	43	-1.0	-52.55	350.80	4.91	-47.64
O=C(CC1CC(=O)NC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214684	0	47	-1.0	-49.38	357.07	5.48	-43.90
O=C(CC1CC(=O)NC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214684	1	47	-1.0	-49.35	357.12	5.49	-43.86
COC(=O)NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020214685	0	44	-1.0	-51.24	351.84	3.68	-47.56
COC(=O)NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020214685	1	44	-1.0	-51.29	351.88	3.67	-47.62
COC(=O)C1CCCN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020214686	0	49	-1.0	-59.47	380.39	5.57	-53.90
COC(=O)C1CCCN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020214686	1	49	-1.0	-59.45	380.46	5.58	-53.87
CC1=C(Br)OC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214687	0	36	-1.0	-45.48	302.54	5.11	-40.37
CC1=C(Br)OC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214687	1	36	-1.0	-45.49	302.59	5.10	-40.39
COC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CN=C1F	REAL300020214688	0	39	-1.0	-52.06	302.83	3.69	-48.37
COC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CN=C1F	REAL300020214688	1	39	-1.0	-52.06	302.77	3.68	-48.38
COC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020214689	0	47	-1.0	-42.15	366.84	4.67	-37.48
COC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020214689	1	47	-1.0	-42.19	366.89	4.67	-37.52
O=C(C1=CC=C2C(=C1)NC(=O)N2CC1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214690	0	50	-1.0	-50.06	391.58	6.75	-43.31
O=C(C1=CC=C2C(=C1)NC(=O)N2CC1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214690	1	50	-1.0	-50.01	391.62	6.76	-43.25
CC1=C(Br)C=C(F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214691	0	39	-1.0	-44.76	322.20	6.65	-38.11
CC1=C(Br)C=C(F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214691	1	39	-1.0	-44.77	322.25	6.66	-38.11
CC1=CC(Cl)=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214692	0	38	-1.0	-48.13	311.68	5.50	-42.63
CC1=CC(Cl)=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214692	1	38	-1.0	-48.15	311.73	5.51	-42.64
CNC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214693	0	45	-1.0	-54.34	348.08	2.69	-51.65
CNC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214693	1	45	-1.0	-54.33	348.13	2.69	-51.64
CCOC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214694	0	47	-1.0	-47.36	382.88	5.00	-42.36
CCOC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214694	1	47	-1.0	-47.37	382.90	5.02	-42.35
CC1=NN(CC(F)F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214695	0	42	-1.0	-52.29	332.28	4.73	-47.56
CC1=NN(CC(F)F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214695	1	42	-1.0	-52.31	332.29	4.75	-47.56
CC(C)CN1C=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020214696	0	48	-1.0	-65.14	362.57	6.33	-58.81
CC(C)CN1C=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020214696	1	48	-1.0	-65.10	362.62	6.34	-58.76
O=C(C1=NC(Br)=C2C=CC=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214697	0	39	-1.0	-50.24	324.86	7.23	-43.01
O=C(C1=NC(Br)=C2C=CC=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214697	1	39	-1.0	-50.23	324.81	7.22	-43.01
O=C(CN1N=C(C(F)(F)F)C2=C1CCOC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214698	0	47	-1.0	-55.36	380.61	4.20	-51.16
O=C(CN1N=C(C(F)(F)F)C2=C1CCOC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214698	1	47	-1.0	-55.33	380.67	4.21	-51.12
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2N1	REAL300020214699	0	48	-1.0	-52.88	371.38	4.38	-48.50
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2N1	REAL300020214699	1	48	-1.0	-52.92	371.31	4.38	-48.54
CCC1CCC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C(=O)N2)C1	REAL300020214700	0	52	-1.0	-54.92	380.37	5.61	-49.31
CCC1CCC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C(=O)N2)C1	REAL300020214700	1	52	-1.0	-54.95	380.41	5.63	-49.32
CCS(=O)(=O)C1=CNC(=O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214701	0	45	-1.0	-59.38	360.65	0.31	-59.07
CCS(=O)(=O)C1=CNC(=O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214701	1	45	-1.0	-59.43	360.70	0.32	-59.11
O=C(C1=CC=C(Br)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214702	0	36	-1.0	-47.97	299.31	2.42	-45.55
O=C(C1=CC=C(Br)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214702	1	36	-1.0	-47.96	299.36	2.43	-45.53
O=C(C1=CC=C(C2CC2)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214703	0	43	-1.0	-61.64	332.22	4.55	-57.09
O=C(C1=CC=C(C2CC2)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214703	1	43	-1.0	-61.66	332.27	4.55	-57.11
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C=O)O1	REAL300020214704	0	38	-1.0	-50.28	303.28	4.72	-45.56
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C=O)O1	REAL300020214704	1	38	-1.0	-50.30	303.34	4.73	-45.57
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)S1	REAL300020214705	0	45	-1.0	-54.73	369.02	7.77	-46.96
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)S1	REAL300020214705	1	45	-1.0	-54.76	369.02	7.78	-46.98
O=C(C1=CC2=CNC=CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214706	0	39	-1.0	-71.21	305.47	4.51	-66.70
O=C(C1=CC2=CNC=CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214706	1	39	-1.0	-71.23	305.52	4.52	-66.71
CC(C)(C)C1=CC=C2NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C1	REAL300020214707	0	52	-1.0	-51.02	389.74	8.00	-43.02
CC(C)(C)C1=CC=C2NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C1	REAL300020214707	1	52	-1.0	-51.26	390.06	7.95	-43.31
O=C(CC1=CNC2=CN=C(Cl)C=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214708	0	42	-1.0	-50.02	346.77	5.21	-44.81
O=C(CC1=CNC2=CN=C(Cl)C=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214708	1	42	-1.0	-49.99	346.82	5.23	-44.76
CC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)OC2=C(F)C=C1	REAL300020214709	0	42	-1.0	-49.36	334.40	6.81	-42.55
CC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)OC2=C(F)C=C1	REAL300020214709	1	42	-1.0	-49.36	334.45	6.81	-42.55
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214710	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	REAL300020214710	1	59	-1.0	-51.70	425.76	5.43	-46.27
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CCN1C(=O)OC(C)(C)C	REAL300020214711	0	59	-1.0	-54.58	419.09	6.88	-47.70
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CCN1C(=O)OC(C)(C)C	REAL300020214711	1	59	-1.0	-54.62	419.15	6.89	-47.73
O=C([C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214712	0	40	-1.0	-54.72	318.76	4.59	-50.13
O=C([C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214712	1	40	-1.0	-54.65	318.82	4.60	-50.05
CC1=C(C)N2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C=C1	REAL300020214713	0	45	-1.0	-54.32	345.50	6.25	-48.07
CC1=C(C)N2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C=C1	REAL300020214713	1	45	-1.0	-54.30	345.52	6.24	-48.06
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214714	0	43	-1.0	-49.10	339.05	5.03	-44.07
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214714	1	43	-1.0	-49.05	339.11	5.06	-43.99
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214715	0	59	-1.0	-61.90	433.59	7.15	-54.75
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214715	1	59	-1.0	-61.93	433.65	7.16	-54.77
CC(C)(C)C1=CC=C(CSCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214716	0	55	-1.0	-50.04	428.60	9.82	-40.22
CC(C)(C)C1=CC=C(CSCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214716	1	55	-1.0	-50.03	428.66	9.84	-40.19
O=C(C1=CC(C2=CC=CC=C2)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214717	0	45	-1.0	-53.44	347.77	7.89	-45.55
O=C(C1=CC(C2=CC=CC=C2)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214717	1	45	-1.0	-53.43	347.71	7.88	-45.55
O=C(C1=CC2=CC=CN2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214718	0	39	-1.0	-54.75	306.90	7.65	-47.10
O=C(C1=CC2=CC=CN2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214718	1	39	-1.0	-54.79	306.85	7.62	-47.17
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=NC=CC=C12	REAL300020214719	0	44	-1.0	-61.84	334.00	6.43	-55.41
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=NC=CC=C12	REAL300020214719	1	44	-1.0	-61.85	334.06	6.43	-55.42
O=C(C1=C2C=COC2=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214720	0	39	-1.0	-51.71	306.76	5.68	-46.03
O=C(C1=C2C=COC2=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214720	1	39	-1.0	-51.70	306.77	5.69	-46.01
C=CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCCCC1	REAL300020214721	0	49	-1.0	-45.84	335.36	7.32	-38.52
C=CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCCCC1	REAL300020214721	1	49	-1.0	-45.84	335.47	7.32	-38.52
O=C(C1=C2C=COC2=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214722	0	39	-1.0	-51.35	317.08	6.13	-45.22
O=C(C1=C2C=COC2=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214722	1	39	-1.0	-51.31	317.11	6.15	-45.16
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214723	0	42	-1.0	-50.05	330.63	5.86	-44.19
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214723	1	42	-1.0	-50.06	330.68	5.87	-44.19
O=C(C1=CC(Cl)=NC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214724	0	35	-1.0	-47.03	294.95	4.08	-42.95
O=C(C1=CC(Cl)=NC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214724	1	35	-1.0	-47.03	294.92	4.08	-42.95
O=C(C1=C2OC=CC2=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214725	0	39	-1.0	-52.45	310.65	5.61	-46.84
O=C(C1=C2OC=CC2=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214725	1	39	-1.0	-52.47	310.69	5.61	-46.86
CC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)OC2=CC=C1	REAL300020214726	0	42	-1.0	-50.02	327.98	6.75	-43.27
CC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)OC2=CC=C1	REAL300020214726	1	42	-1.0	-49.99	328.04	6.76	-43.23
CC(C)N1C=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214727	0	45	-1.0	-58.57	345.50	5.61	-52.96
CC(C)N1C=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214727	1	45	-1.0	-58.58	345.55	5.65	-52.93
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214728	0	42	-1.0	-50.30	343.35	6.92	-43.38
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214728	1	42	-1.0	-50.25	343.31	6.94	-43.31
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214729	0	55	0.0	-72.98	403.68	8.63	-64.35
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214729	1	55	0.0	-60.51	394.94	9.37	-51.14
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214729	1	55	0.0	-72.97	403.74	8.64	-64.33
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214729	1	55	0.0	-60.51	394.98	9.38	-51.13
O=C(C1=CC2=NC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214730	0	38	-1.0	-52.62	301.91	4.30	-48.32
O=C(C1=CC2=NC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214730	1	38	-1.0	-52.67	301.86	4.28	-48.39
COCCCOC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020214731	0	53	-1.0	-43.77	406.89	6.67	-37.10
COCCCOC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020214731	1	53	-1.0	-43.77	406.93	6.70	-37.07
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214732	0	59	-1.0	-55.61	440.05	6.24	-49.37
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214732	1	59	-1.0	-55.61	440.12	6.27	-49.34
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214733	0	58	-1.0	-46.27	414.65	5.53	-40.74
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214733	1	58	-1.0	-46.27	414.74	5.56	-40.71
CN1N=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214734	0	53	-1.0	-46.06	406.65	4.28	-41.78
CN1N=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214734	1	53	-1.0	-46.07	406.70	4.31	-41.76
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL300020214735	0	46	-1.0	-48.33	360.54	6.28	-42.05
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300020214735	1	46	-1.0	-48.33	360.58	6.29	-42.04
CCC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214736	0	61	-1.0	-44.92	432.98	5.55	-39.37
CCC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214736	1	61	-1.0	-44.96	433.03	5.56	-39.40
CC(C)(C)OC(=O)NC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)(C)C	REAL300020214737	0	61	-1.0	-54.11	439.76	5.94	-48.17
CC(C)(C)OC(=O)NC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)(C)C	REAL300020214737	1	61	-1.0	-54.14	439.82	5.97	-48.17
CC1=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020214738	0	39	-1.0	-49.15	316.71	4.70	-44.45
CC1=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020214738	1	39	-1.0	-49.11	316.76	4.71	-44.40
O=C(C=CC1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214739	0	40	-1.0	-47.48	328.77	7.44	-40.04
O=C(C=CC1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214739	1	40	-1.0	-47.48	328.83	7.44	-40.04
CCOC1=CC2=C(C=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1)OC(C)C2	REAL300020214740	0	55	-1.0	-55.18	419.02	7.77	-47.41
CCOC1=CC2=C(C=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1)OC(C)C2	REAL300020214740	1	55	-1.0	-55.14	419.07	7.79	-47.35
CC1=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020214741	0	41	-1.0	-47.18	326.24	4.99	-42.19
CC1=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020214741	1	41	-1.0	-47.15	326.30	5.02	-42.13
CC(C)[N@@H+]1CCCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214742	0	48	0.0	-59.19	338.13	5.65	-53.54
CC(C)[N@H+]1CCCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214742	1	48	0.0	-46.87	334.80	6.04	-40.83
CC(C)(C)C1=NC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214743	0	48	-1.0	-49.28	378.15	6.69	-42.59
CC(C)(C)C1=NC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214743	1	48	-1.0	-49.26	378.20	6.69	-42.57
O=C(C=CC1=CC=C(C2=CC=C(F)C=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214744	0	47	-1.0	-49.30	386.32	9.77	-39.53
O=C(C=CC1=CC=C(C2=CC=C(F)C=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214744	1	47	-1.0	-49.29	386.37	9.78	-39.51
CS(=O)(=O)NC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214745	0	48	-1.0	-53.89	385.39	3.62	-50.27
CS(=O)(=O)NC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214745	1	48	-1.0	-53.89	385.45	3.62	-50.27
O=C(C=CC1=CN=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214746	0	39	-1.0	-47.62	313.26	5.21	-42.41
O=C(C=CC1=CN=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214746	1	39	-1.0	-47.62	313.31	5.22	-42.40
CCC(C)OC1=CC=CC=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214747	0	53	-1.0	-55.96	400.61	8.66	-47.30
CCC(C)OC1=CC=CC=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214747	1	53	-1.0	-55.97	400.66	8.66	-47.31
O=C(C=CC1=NC2=CC(Cl)=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214748	0	45	-1.0	-50.07	372.16	8.05	-42.02
O=C(C=CC1=NC2=CC(Cl)=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214748	1	45	-1.0	-50.04	372.22	8.06	-41.98
O=C(C=CC1=CC=CC(OC2CCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214749	0	54	-1.0	-50.58	405.83	9.12	-41.46
O=C(C=CC1=CC=CC(OC2CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214749	1	54	-1.0	-50.59	405.88	9.14	-41.45
CC1=CC=CC=C1C(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214750	0	45	-1.0	-51.16	334.75	7.41	-43.75
CC1=CC=CC=C1C(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214750	1	45	-1.0	-51.11	334.84	7.41	-43.70
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=N1	REAL300020214751	0	38	-1.0	-48.37	300.59	2.72	-45.65
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=N1	REAL300020214751	1	38	-1.0	-48.40	300.53	2.71	-45.69
O=C(C1=CN2N=CC(Br)=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214752	0	39	-1.0	-46.21	329.15	5.80	-40.41
O=C(C1=CN2N=CC(Br)=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214752	1	39	-1.0	-46.19	329.11	5.78	-40.41
CCC1=CC=C(Br)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214753	0	42	-1.0	-47.29	336.89	7.42	-39.87
CCC1=CC=C(Br)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214753	1	42	-1.0	-47.32	336.95	7.44	-39.88
COC1=CC(Br)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214754	0	40	-1.0	-48.36	333.04	5.46	-42.90
COC1=CC(Br)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214754	1	40	-1.0	-48.43	333.08	5.49	-42.94
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214755	0	56	0.0	-75.24	420.20	8.60	-66.64
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214755	1	56	0.0	-75.26	420.26	8.60	-66.66
O=C(CC1=NN(CC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214756	0	42	-1.0	-56.96	348.33	5.31	-51.65
O=C(CC1=NN(CC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214756	1	42	-1.0	-56.96	348.39	5.33	-51.63
O=C([C@@H]1CSCC(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214757	0	38	-1.0	-51.14	300.42	2.01	-49.13
O=C([C@@H]1CSCC(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214757	1	38	-1.0	-51.13	300.47	2.01	-49.12
O=C(C1=C2C(Br)=CC=CN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214758	0	39	-1.0	-49.05	325.62	5.88	-43.17
O=C(C1=C2C(Br)=CC=CN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214758	1	39	-1.0	-49.05	325.56	5.86	-43.19
CC(C)CN1[N-]C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020214759	0	48	-2.0	-103.76	376.40	4.36	-99.40
CC(C)CN1[N-]C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020214759	1	48	-2.0	-103.74	376.47	4.39	-99.35
CC(C)CN1NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020214759	1	49	-1.0	-54.55	378.22	5.22	-49.33
CN1C=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020214760	0	39	-1.0	-53.19	321.47	4.75	-48.44
CN1C=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020214760	1	39	-1.0	-53.16	321.51	4.76	-48.40
CC1=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)C=CO1	REAL300020214761	0	42	-1.0	-67.65	333.80	5.40	-62.25
CC1=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)C=CO1	REAL300020214761	1	42	-1.0	-67.65	333.85	5.40	-62.25
CC(C)C1=NC=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214762	0	43	-1.0	-45.10	347.78	6.00	-39.10
CC(C)C1=NC=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214762	1	43	-1.0	-45.14	347.83	6.00	-39.14
CC(C)(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)F	REAL300020214763	0	41	-1.0	-42.69	303.11	5.56	-37.13
CC(C)(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)F	REAL300020214763	1	41	-1.0	-42.70	303.19	5.59	-37.11
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214764	0	44	-1.0	-48.75	350.39	7.73	-41.02
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214764	1	44	-1.0	-48.78	350.44	7.74	-41.04
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214765	0	44	-1.0	-52.87	365.80	7.82	-45.05
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214765	1	44	-1.0	-52.87	365.87	7.84	-45.03
O=C(C1=NC(C2CC2)=NC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020214766	0	41	-1.0	-45.39	336.78	6.49	-38.90
O=C(C1=NC(C2CC2)=NC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020214766	1	41	-1.0	-45.44	336.84	6.49	-38.95
O=C(CN1N=C(C(F)F)C=C1C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214767	0	42	-1.0	-50.63	351.96	5.38	-45.25
O=C(CN1N=C(C(F)F)C=C1C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214767	1	42	-1.0	-50.61	352.02	5.39	-45.22
CC(C)(C)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020214768	0	50	-1.0	-42.56	366.22	6.54	-36.02
CC(C)(C)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020214768	1	50	-1.0	-42.49	366.27	6.55	-35.94
O=C([C@H]1CC[C@@H](NC2=CC=CC=N2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214769	0	53	-1.0	-52.34	384.39	6.96	-45.38
O=C([C@H]1CC[C@@H](NC2=CC=CC=N2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214769	1	53	-1.0	-52.38	384.45	6.96	-45.42
O=C(C1=CC=C(C(F)(F)F)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214770	0	36	-1.0	-43.85	301.18	4.95	-38.90
O=C(C1=CC=C(C(F)(F)F)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214770	1	36	-1.0	-43.92	301.23	4.95	-38.97
CN(CCCC(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)C1=CC=NC=C1	REAL300020214771	0	51	-1.0	-54.49	390.79	5.73	-48.76
CN(CCCC(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)C1=CC=NC=C1	REAL300020214771	1	51	-1.0	-54.49	390.69	5.72	-48.77
CCC1=NOC(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214772	0	44	-1.0	-57.69	355.50	2.54	-55.15
CCC1=NOC(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214772	1	44	-1.0	-57.69	355.56	2.55	-55.14
O=C(CC1CCC(C(F)(F)F)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214773	0	43	-1.0	-55.40	342.51	5.26	-50.14
O=C(CC1CCC(C(F)(F)F)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214773	1	43	-1.0	-55.40	342.57	5.28	-50.12
COC1=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(C)N=C2C=C1	REAL300020214774	0	48	-1.0	-45.08	372.49	6.19	-38.89
COC1=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(C)N=C2C=C1	REAL300020214774	1	48	-1.0	-45.05	372.53	6.19	-38.86
CC1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020214775	0	41	-1.0	-54.71	318.71	5.01	-49.70
CC1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020214775	1	41	-1.0	-54.70	318.66	5.00	-49.70
CC1=CC=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214776	0	38	-1.0	-49.63	310.91	5.65	-43.98
CC1=CC=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214776	1	38	-1.0	-49.64	310.97	5.66	-43.98
O=C(C1=CC=C(OC(F)F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214777	0	40	-1.0	-54.08	322.73	4.94	-49.14
O=C(C1=CC=C(OC(F)F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214777	1	40	-1.0	-54.08	322.69	4.96	-49.12
CC1=NN(C)C=C1C1=NOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214778	0	47	-1.0	-60.52	370.74	4.96	-55.56
CC1=NN(C)C=C1C1=NOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214778	1	47	-1.0	-60.49	370.80	4.97	-55.52
O=C(C1=CC=NC(C2=CC=CO2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214779	0	42	-1.0	-50.44	338.73	5.56	-44.88
O=C(C1=CC=NC(C2=CC=CO2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214779	1	42	-1.0	-50.42	338.68	5.55	-44.87
O=C(CN1N=C(C(F)(F)F)C2=C1CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214780	0	49	-1.0	-53.57	388.99	6.56	-47.01
O=C(CN1N=C(C(F)(F)F)C2=C1CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214780	1	49	-1.0	-53.57	389.06	6.56	-47.01
O=C(C1=CC=NC(C2=CC=CC=N2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214781	0	43	-1.0	-52.09	343.35	5.64	-46.45
O=C(C1=CC=NC(C2=CC=CC=N2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214781	1	43	-1.0	-52.10	343.41	5.64	-46.46
CN1C(=O)CCC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020214782	0	47	-1.0	-52.02	355.96	6.25	-45.77
CN1C(=O)CCC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020214782	1	47	-1.0	-52.00	356.00	6.26	-45.74
O=C(C=CCl)NCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214783	0	40	-1.0	-55.30	332.91	2.93	-52.37
O=C(C=CCl)NCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214783	1	40	-1.0	-55.26	332.96	2.94	-52.32
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1Br	REAL300020214784	0	38	-1.0	-47.02	316.75	4.82	-42.20
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1Br	REAL300020214784	1	38	-1.0	-47.05	316.71	4.81	-42.24
O=C(C1=CC(=O)NC2=C1CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214785	0	46	-1.0	-50.20	347.62	5.12	-45.08
O=C(C1=CC(=O)NC2=C1CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214785	1	46	-1.0	-50.15	347.67	5.14	-45.01
O=C(C1=C2C=COC2=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214786	0	38	-1.0	-53.37	301.91	4.57	-48.80
O=C(C1=C2C=COC2=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214786	1	38	-1.0	-53.35	301.84	4.56	-48.79
O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214787	0	53	-1.0	-53.31	390.64	2.59	-50.72
O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214787	1	53	-1.0	-53.31	390.71	2.60	-50.71
O=C(C1=CC=CC(NC2=NC=CS2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214788	0	44	-1.0	-49.43	355.70	5.85	-43.58
O=C(C1=CC=CC(NC2=NC=CS2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214788	1	44	-1.0	-49.35	355.66	5.84	-43.51
CCCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(=O)N1	REAL300020214789	0	45	-1.0	-54.85	346.61	4.32	-50.53
CCCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(=O)N1	REAL300020214789	1	45	-1.0	-54.84	346.65	4.33	-50.51
O=C(C1=CNC(=O)C(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214790	0	39	-1.0	-49.13	321.70	3.37	-45.76
O=C(C1=CNC(=O)C(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214790	1	39	-1.0	-49.12	321.74	3.38	-45.74
CCSC1=CNC(=O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214791	0	43	-1.0	-61.20	344.17	4.14	-57.06
CCSC1=CNC(=O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214791	1	43	-1.0	-61.22	344.23	4.14	-57.08
O=C(C1=C2NC(C(F)F)=NC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214792	0	42	-1.0	-51.47	338.47	5.08	-46.39
O=C(C1=C2NC(C(F)F)=NC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214792	1	42	-1.0	-51.45	338.46	5.09	-46.36
O=C(C1=CC2=CC=CC=C2OC1C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214793	0	45	-1.0	-49.67	345.87	6.43	-43.24
O=C(C1=CC2=CC=CC=C2OC1C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214793	1	45	-1.0	-49.67	345.91	6.44	-43.23
O=C(CC1=CC=CC(C(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214794	0	41	-1.0	-57.78	341.87	5.55	-52.23
O=C(CC1=CC=CC(C(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214794	1	41	-1.0	-57.78	341.93	5.58	-52.20
CCOC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214795	0	45	-1.0	-53.64	344.29	4.40	-49.24
CCOC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214795	1	45	-1.0	-53.62	344.31	4.40	-49.22
CC1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020214796	0	41	-1.0	-51.11	312.53	5.67	-45.44
CC1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020214796	1	41	-1.0	-51.07	312.58	5.67	-45.40
C[NH+]1CCC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020214797	0	49	0.0	-74.89	363.49	5.78	-69.11
C[NH+]1CCC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020214797	1	49	0.0	-74.86	363.55	5.80	-69.06
O=C(C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214798	0	47	-1.0	-46.81	385.09	8.62	-38.19
O=C(C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214798	1	47	-1.0	-46.84	385.14	8.63	-38.21
O=C(C1=CC(=O)NC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020214799	0	36	-1.0	-51.62	299.19	2.89	-48.73
O=C(C1=CC(=O)NC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020214799	1	36	-1.0	-51.66	299.25	2.91	-48.75
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=NN1	REAL300020214800	0	36	-1.0	-46.34	310.63	2.76	-43.58
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=NN1	REAL300020214800	1	36	-1.0	-46.31	310.69	2.78	-43.53
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214801	0	44	-1.0	-52.54	349.04	2.09	-50.45
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214801	1	44	-1.0	-52.56	348.99	2.08	-50.48
CC1=CC(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1Cl	REAL300020214802	0	41	-1.0	-47.02	341.16	5.66	-41.36
CC1=CC(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1Cl	REAL300020214802	1	41	-1.0	-47.03	341.10	5.63	-41.40
CC1=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CNC2=N1	REAL300020214803	0	41	-1.0	-80.20	319.42	3.96	-76.24
CC1=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CNC2=N1	REAL300020214803	1	41	-1.0	-80.23	319.47	3.96	-76.27
CC(C)C1CCC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C(=O)N2)C1	REAL300020214804	0	55	-1.0	-61.08	401.53	6.48	-54.60
CC(C)C1CCC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C(=O)N2)C1	REAL300020214804	1	55	-1.0	-61.10	401.59	6.48	-54.62
CC1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=NC=CC=C12	REAL300020214805	0	44	-1.0	-56.44	352.44	5.51	-50.93
CC1=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=NC=CC=C12	REAL300020214805	1	44	-1.0	-56.41	352.50	5.52	-50.89
CCCOC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1C	REAL300020214806	0	52	-1.0	-52.64	391.36	7.65	-44.99
CCCOC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1C	REAL300020214806	1	52	-1.0	-52.64	391.41	7.67	-44.97
O=C(C1=CC=C(CN2CCCCC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214807	0	51	-1.0	-50.03	378.37	5.42	-44.61
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214807	1	52	0.0	-71.17	381.17	7.72	-63.45
O=C(C1=CC=C(CN2CCCCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214807	1	51	-1.0	-50.04	378.42	5.43	-44.61
C[C@H](NC(=O)CN1C=NN=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214808	0	44	-1.0	-50.81	347.07	2.16	-48.65
C[C@H](NC(=O)CN1C=NN=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214808	1	44	-1.0	-50.74	347.01	2.13	-48.61
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214809	0	51	-1.0	-48.92	387.01	7.80	-41.12
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214809	1	51	-1.0	-48.91	387.08	7.81	-41.10
O=C(C1=CC=C(CC2CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214810	0	43	-1.0	-47.86	345.51	7.53	-40.33
O=C(C1=CC=C(CC2CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214810	1	43	-1.0	-47.89	345.56	7.52	-40.37
COC1=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1	REAL300020214811	0	47	-1.0	-51.82	366.71	4.65	-47.17
COC1=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1	REAL300020214811	1	47	-1.0	-51.79	366.78	4.66	-47.13
O=C(C1=CC=CC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214812	0	45	-1.0	-51.08	347.30	8.02	-43.06
O=C(C1=CC=CC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214812	1	45	-1.0	-51.08	347.25	8.01	-43.07
O=C(C1CCC2=CNN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214813	0	40	-1.0	-46.16	302.71	3.63	-42.53
O=C(C1CCC2=CNN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214813	1	40	-1.0	-46.17	302.79	3.63	-42.54
O=C(CCCCCCCCC1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214814	0	57	-1.0	-47.84	425.19	10.48	-37.36
O=C(CCCCCCCCC1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214814	1	57	-1.0	-47.88	425.24	10.48	-37.40
O=C(CC1CCCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214815	0	46	-1.0	-47.76	325.99	4.75	-43.01
O=C(CC1CCCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214815	1	46	-1.0	-47.73	326.04	4.75	-42.98
C=CCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020214816	0	40	-1.0	-50.60	319.05	4.52	-46.08
C=CCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020214816	1	40	-1.0	-50.43	316.27	4.29	-46.14
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300020214817	0	42	-2.0	-100.78	344.89	5.11	-95.67
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300020214817	1	42	-2.0	-100.77	344.93	5.12	-95.65
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214818	0	36	-2.0	-112.93	306.70	4.70	-108.23
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214818	1	36	-2.0	-112.99	306.67	4.72	-108.27
CN1N=CC2=C1C=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)N2	REAL300020214819	0	42	-1.0	-49.25	327.76	1.72	-47.53
CN1N=CC2=C1C=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)N2	REAL300020214819	1	42	-1.0	-49.24	327.80	1.73	-47.51
O=C(C1CCCC2=C1NN=C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214820	0	43	-1.0	-47.99	315.77	4.16	-43.83
O=C(C1CCCC2=C1NN=C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214820	1	43	-1.0	-47.96	315.81	4.20	-43.76
COC1=C2C=CSC2=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214821	0	43	-1.0	-51.50	342.81	6.01	-45.49
COC1=C2C=CSC2=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214821	1	43	-1.0	-51.52	342.82	6.02	-45.50
CC1(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)CC1	REAL300020214822	0	46	-1.0	-49.49	346.47	7.87	-41.62
CC1(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)CC1	REAL300020214822	1	46	-1.0	-49.47	346.51	7.88	-41.59
CC1CCN(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C1	REAL300020214823	0	51	-1.0	-49.64	372.89	6.32	-43.32
CC1CCN(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C1	REAL300020214823	1	51	-1.0	-49.64	372.91	6.33	-43.31
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL300020214824	0	42	-1.0	-46.45	327.19	6.96	-39.49
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL300020214824	1	42	-1.0	-46.50	327.27	6.95	-39.55
CC1=NOC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214825	0	41	-1.0	-47.30	326.26	5.04	-42.26
CC1=NOC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214825	1	41	-1.0	-47.31	326.32	5.07	-42.24
O=C(C1=CC=C2C(=C1)CCS2(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214826	0	43	-1.0	-57.45	344.37	3.26	-54.19
O=C(C1=CC=C2C(=C1)CCS2(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214826	1	43	-1.0	-57.46	344.40	3.27	-54.19
O=C(C1=CC2=CC=C(Cl)C=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214827	0	39	-1.0	-47.94	332.87	7.44	-40.50
O=C(C1=CC2=CC=C(Cl)C=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214827	1	39	-1.0	-47.93	332.93	7.46	-40.47
O=C(C1=NOC(C2CCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214828	0	42	-1.0	-47.30	324.37	6.27	-41.03
O=C(C1=NOC(C2CCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214828	1	42	-1.0	-47.31	324.42	6.28	-41.03
O=C(COCC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214829	0	46	-1.0	-52.30	381.18	7.33	-44.97
O=C(COCC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214829	1	46	-1.0	-52.29	381.24	7.35	-44.94
CC1(C)C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1(C)C	REAL300020214830	0	48	-1.0	-50.25	346.27	7.14	-43.11
CC1(C)C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1(C)C	REAL300020214830	1	48	-1.0	-50.26	346.33	7.15	-43.11
CC1(C)CC2(CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)C1	REAL300020214831	0	49	-1.0	-50.15	355.44	7.60	-42.55
CC1(C)CC2(CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)C1	REAL300020214831	1	49	-1.0	-50.16	355.50	7.60	-42.56
NC1=CC=C(F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214832	0	38	-1.0	-47.97	297.82	3.57	-44.40
NC1=CC=C(F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214832	1	38	-1.0	-47.95	297.88	3.59	-44.36
COC1=CC=CC(N2C=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)=C1	REAL300020214833	0	47	-1.0	-55.50	366.74	6.45	-49.05
COC1=CC=CC(N2C=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)=C1	REAL300020214833	1	47	-1.0	-55.48	366.69	6.43	-49.05
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL300020214834	0	43	-1.0	-53.73	342.56	6.10	-47.63
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL300020214834	1	43	-1.0	-53.78	342.61	6.10	-47.68
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC(C)(C)C1	REAL300020214835	0	51	-1.0	-50.36	356.36	7.24	-43.12
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC(C)(C)C1	REAL300020214835	1	51	-1.0	-50.47	356.37	7.24	-43.23
CC1=C(Br)SC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214836	0	35	-1.0	-48.03	305.85	3.64	-44.39
CC1=C(Br)SC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214836	1	35	-1.0	-48.05	305.91	3.65	-44.40
O=C(C1=CN2C=CN=CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214837	0	38	-1.0	-50.09	301.07	4.99	-45.10
O=C(C1=CN2C=CN=CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214837	1	38	-1.0	-50.08	301.02	4.99	-45.09
CC(C)(C)C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1	REAL300020214838	0	44	-1.0	-56.29	335.68	4.67	-51.62
CC(C)(C)C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1	REAL300020214838	1	44	-1.0	-56.31	335.74	4.66	-51.65
COC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=CC(Cl)=C1	REAL300020214839	0	44	-1.0	-51.09	360.02	5.52	-45.57
COC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=CC(Cl)=C1	REAL300020214839	1	44	-1.0	-51.12	360.15	5.51	-45.61
O=C(C1=CC=C(C2=CC=CC=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214840	0	45	-1.0	-50.00	347.53	7.84	-42.16
O=C(C1=CC=C(C2=CC=CC=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214840	1	45	-1.0	-49.94	347.47	7.85	-42.09
O=C(C1=CN(CC2CCCO2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214841	0	46	-1.0	-49.94	355.25	3.40	-46.54
O=C(C1=CN(CC2CCCO2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214841	1	46	-1.0	-49.90	355.20	3.40	-46.50
O=C(C1=NN2C=CC(C(F)(F)F)=NC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214842	0	40	-1.0	-55.09	336.94	7.56	-47.53
O=C(C1=NN2C=CC(C(F)(F)F)=NC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214842	1	40	-1.0	-54.99	336.88	7.54	-47.45
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=N1	REAL300020214843	0	43	-1.0	-51.64	335.52	1.48	-50.16
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=N1	REAL300020214843	1	43	-1.0	-51.63	335.49	1.47	-50.16
CC(C)CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)C	REAL300020214844	0	50	-1.0	-46.85	340.20	7.20	-39.65
CC(C)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)C	REAL300020214844	1	50	-1.0	-46.81	340.23	7.20	-39.61
CC1(C)C2CCC(C2)C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214845	0	49	-1.0	-48.85	329.57	6.99	-41.86
CC1(C)C2CCC(C2)C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214845	1	49	-1.0	-48.84	329.61	6.98	-41.86
NC(=O)C1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214846	0	43	-1.0	-53.11	337.82	3.27	-49.84
NC(=O)C1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214846	1	43	-1.0	-53.11	337.88	3.28	-49.83
CCC(=O)NC1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214847	0	45	-1.0	-55.50	351.63	3.24	-52.26
CCC(=O)NC1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214847	1	45	-1.0	-55.54	351.60	3.25	-52.29
CCC[C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020214848	0	58	-1.0	-54.26	428.08	5.52	-48.74
CCC[C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020214848	1	58	-1.0	-54.27	428.14	5.54	-48.73
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214849	0	56	-1.0	-50.83	407.03	6.45	-44.38
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214849	1	56	-1.0	-50.84	407.08	6.45	-44.39
CCC[C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020214850	0	58	-1.0	-54.47	428.90	5.39	-49.08
CCC[C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020214850	1	58	-1.0	-54.43	428.97	5.40	-49.03
NC1=CC(F)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020214851	0	38	-1.0	-51.35	312.31	3.84	-47.51
NC1=CC(F)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020214851	1	38	-1.0	-51.35	312.34	3.84	-47.51
CCC(C)C(C)NC1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020214852	0	55	-1.0	-52.70	420.09	6.54	-46.16
CCC(C)C(C)NC1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020214852	1	55	-1.0	-52.66	420.15	6.57	-46.09
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214853	0	46	-1.0	-52.37	362.66	4.15	-48.22
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214853	1	46	-1.0	-52.36	362.72	4.17	-48.19
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214854	0	59	-1.0	-49.77	421.45	7.22	-42.55
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214854	1	59	-1.0	-49.82	421.53	7.23	-42.59
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)[C@H]2C[C@H]21	REAL300020214855	0	57	-1.0	-47.56	423.01	5.28	-42.28
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)[C@H]2C[C@H]21	REAL300020214855	1	57	-1.0	-47.60	423.08	5.29	-42.31
O=C(C1=CC=C(F)C(O)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214856	0	37	-1.0	-48.00	297.36	2.59	-45.41
O=C(C1=CC=C(F)C(O)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214856	1	37	-1.0	-47.97	297.39	2.61	-45.36
O=C(C1=CC=C(F)C([O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214856	1	36	-2.0	-107.30	295.94	3.51	-103.79
O=C(C1=CC=C(F)C([O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214856	1	36	-2.0	-107.28	295.98	3.53	-103.75
CCOC(=O)C1CC12CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020214857	0	49	-1.0	-52.67	374.85	7.63	-45.04
CCOC(=O)C1CC12CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020214857	1	49	-1.0	-52.69	374.90	7.65	-45.04
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214858	0	36	-2.0	-104.04	305.73	4.01	-100.03
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214858	1	36	-2.0	-104.02	305.77	4.02	-100.00
O=C(C1=CC=C(Cl)C(O)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214858	1	37	-1.0	-47.82	307.15	3.08	-44.74
O=C(C1=CC=C(Cl)C(O)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214858	1	37	-1.0	-47.81	307.18	3.10	-44.71
CN1C=CC2=C1C=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)N2	REAL300020214859	0	41	-1.0	-53.86	320.05	5.32	-48.54
CN1C=CC2=C1C=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)N2	REAL300020214859	1	41	-1.0	-53.82	320.16	5.32	-48.50
COC(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)N1	REAL300020214860	0	46	-1.0	-48.61	370.88	5.16	-43.45
COC(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)N1	REAL300020214860	1	46	-1.0	-48.59	370.95	5.17	-43.42
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300020214861	0	38	-1.0	-40.82	322.29	4.99	-35.83
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300020214861	1	38	-1.0	-40.84	322.23	4.99	-35.85
CC#CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214862	0	54	-1.0	-46.16	407.06	5.12	-41.04
CC#CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214862	1	54	-1.0	-46.13	405.88	5.09	-41.04
CC(C)(C)OC(=O)N1CC(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214863	0	59	-1.0	-53.47	441.50	7.39	-46.08
CC(C)(C)OC(=O)N1CC(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214863	1	59	-1.0	-53.47	441.55	7.40	-46.07
COC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(Cl)=C1Cl	REAL300020214864	0	37	-1.0	-48.32	335.11	4.78	-43.54
COC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(Cl)=C1Cl	REAL300020214864	1	37	-1.0	-48.35	335.16	4.79	-43.56
COCC1CCN(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C1	REAL300020214865	0	55	-1.0	-49.11	408.68	5.49	-43.62
COCC1CCN(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C1	REAL300020214865	1	55	-1.0	-49.15	408.72	5.50	-43.65
O=C(CC(C(F)F)N1C=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214866	0	42	-1.0	-43.84	325.58	5.15	-38.69
O=C(CC(C(F)F)N1C=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214866	1	42	-1.0	-43.84	325.54	5.16	-38.68
NC1=NC2=C(N=CN2CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020214867	0	43	-1.0	-64.58	350.06	4.19	-60.39
NC1=NC2=C(N=CN2CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020214867	1	43	-1.0	-64.55	350.13	4.20	-60.35
O=C(C1=CC(NCC2=CC=CC=C2)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214868	0	50	-1.0	-52.13	389.95	7.05	-45.08
O=C(C1=CC(NCC2=CC=CC=C2)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214868	1	50	-1.0	-52.12	390.00	7.06	-45.06
C=CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214869	0	56	-1.0	-44.99	413.83	5.03	-39.96
C=CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214869	1	56	-1.0	-44.97	413.89	5.03	-39.94
CCCC[C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020214870	0	61	-1.0	-54.21	449.58	6.31	-47.90
CCCC[C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020214870	1	61	-1.0	-54.25	449.64	6.32	-47.93
C=C(F)C1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCC1	REAL300020214871	0	43	-1.0	-49.38	316.09	6.34	-43.04
C=C(F)C1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1	REAL300020214871	1	43	-1.0	-49.46	316.11	6.35	-43.11
N#CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020214872	0	37	-1.0	-49.65	304.33	5.74	-43.91
N#CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020214872	1	37	-1.0	-49.67	304.30	5.76	-43.91
CC1CN2N=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C(=O)N1	REAL300020214873	0	44	-1.0	-61.43	339.94	2.18	-59.25
CC1CN2N=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C(=O)N1	REAL300020214873	1	44	-1.0	-61.38	339.89	2.17	-59.21
NC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020214874	0	39	-1.0	-52.12	311.87	0.47	-51.65
NC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020214874	1	39	-1.0	-52.09	311.84	0.47	-51.62
CCCC[C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020214875	0	61	-1.0	-54.69	450.62	6.19	-48.50
CCCC[C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020214875	1	61	-1.0	-54.64	450.68	6.22	-48.42
O=C(C1=CC=C2C(=C1)C=CS2(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214876	0	41	-1.0	-51.55	336.21	3.01	-48.54
O=C(C1=CC=C2C(=C1)C=CS2(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214876	1	41	-1.0	-51.54	336.24	3.01	-48.53
O=C(C1=NC(Br)=C2CCCCN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214877	0	43	-1.0	-47.11	341.31	6.82	-40.29
O=C(C1=NC(Br)=C2CCCCN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214877	1	43	-1.0	-47.14	341.25	6.82	-40.32
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1Cl	REAL300020214878	0	42	-1.0	-48.16	351.64	5.93	-42.23
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL300020214878	1	42	-1.0	-48.19	351.68	5.94	-42.25
O=C(CC(C(F)F)N1C=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214879	0	42	-1.0	-44.53	327.98	6.39	-38.14
O=C(CC(C(F)F)N1C=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214879	1	42	-1.0	-44.50	328.03	6.38	-38.12
O=C(C1=CC=C2N=C(C3CCCO3)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214880	0	49	-1.0	-51.42	380.87	3.33	-48.09
O=C(C1=CC=C2N=C(C3CCCO3)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214880	1	49	-1.0	-51.44	380.91	3.33	-48.11
O=C(C(O)CC1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214881	0	43	-1.0	-48.01	363.62	5.71	-42.30
O=C(C(O)CC1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214881	1	43	-1.0	-48.04	363.67	5.71	-42.33
O=C(C(O)C1=CC=CC2=C1OCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214882	0	45	-1.0	-47.89	338.41	4.01	-43.88
O=C(C(O)C1=CC=CC2=C1OCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214882	1	45	-1.0	-47.94	338.51	4.02	-43.92
O=C(CC(O)C1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214883	0	46	-1.0	-50.92	342.29	3.92	-47.00
O=C(CC(O)C1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214883	1	46	-1.0	-50.90	342.36	3.95	-46.95
NC(=O)C1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214884	0	39	-1.0	-61.95	308.30	1.22	-60.73
NC(=O)C1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214884	1	39	-1.0	-61.90	308.24	1.21	-60.69
O=C(C1=CC=C(F)C2=CC=CN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214885	0	41	-1.0	-56.59	321.89	5.96	-50.63
O=C(C1=CC=C(F)C2=CC=CN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214885	1	41	-1.0	-56.59	321.85	5.95	-50.64
O=C(C1=NN(CC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214886	0	39	-1.0	-56.69	320.39	5.18	-51.51
O=C(C1=NN(CC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214886	1	39	-1.0	-56.69	320.33	5.17	-51.52
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214887	0	47	-1.0	-50.10	369.41	7.32	-42.78
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214887	1	47	-1.0	-50.11	369.46	7.33	-42.78
O=C(C1=NN2C=CC=C(Br)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214888	0	39	-1.0	-55.86	328.12	6.25	-49.61
O=C(C1=NN2C=CC=C(Br)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214888	1	39	-1.0	-55.89	328.06	6.24	-49.65
CC1(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)CCCC1	REAL300020214889	0	46	-1.0	-49.99	340.49	5.84	-44.15
CC1(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)CCCC1	REAL300020214889	1	46	-1.0	-49.98	340.55	5.86	-44.12
O=C(C1=NC=C(Cl)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020214890	0	35	-1.0	-45.57	302.38	5.47	-40.10
O=C(C1=NC=C(Cl)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020214890	1	35	-1.0	-45.55	302.32	5.46	-40.09
O=C(C1=CC2=CC=CC=C2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214891	0	41	-1.0	-54.02	319.67	6.70	-47.32
O=C(C1=CC2=CC=CC=C2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214891	1	41	-1.0	-54.04	319.62	6.69	-47.35
O=C(CCC1CC(F)(F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214892	0	42	-1.0	-47.84	330.94	6.13	-41.71
O=C(CCC1CC(F)(F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214892	1	42	-1.0	-47.84	331.00	6.14	-41.70
O=C(C1COC2=CC(Cl)=CC=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214893	0	44	-1.0	-44.94	347.97	6.61	-38.33
O=C(C1COC2=CC(Cl)=CC=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214893	1	44	-1.0	-44.93	348.03	6.63	-38.30
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1F	REAL300020214894	0	38	-1.0	-47.63	299.92	5.02	-42.61
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1F	REAL300020214894	1	38	-1.0	-47.64	299.86	5.01	-42.63
O=C(C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214895	0	43	-1.0	-50.22	355.86	7.38	-42.84
O=C(C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214895	1	43	-1.0	-50.22	355.80	7.38	-42.84
O=C(C1=CN=C(C2=CC=C(Cl)C=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214896	0	42	-1.0	-47.67	359.52	6.68	-40.99
O=C(C1=CN=C(C2=CC=C(Cl)C=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214896	1	42	-1.0	-47.64	359.46	6.68	-40.96
O=C(COC1=CC=C(F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214897	0	39	-1.0	-49.52	315.72	3.59	-45.93
O=C(COC1=CC=C(F)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214897	1	39	-1.0	-49.56	315.66	3.58	-45.98
CC1(C)COCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020214898	0	47	-1.0	-51.36	350.24	4.23	-47.13
CC1(C)COCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020214898	1	47	-1.0	-51.36	350.30	4.24	-47.12
CC1(C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCO1	REAL300020214899	0	46	-1.0	-51.89	328.06	4.60	-47.29
CC1(C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCO1	REAL300020214899	1	46	-1.0	-51.91	328.11	4.62	-47.29
CN1C=C(C2=NOC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)C=N1	REAL300020214900	0	44	-1.0	-56.56	353.56	4.32	-52.24
CN1C=C(C2=NOC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)C=N1	REAL300020214900	1	44	-1.0	-56.61	353.50	4.30	-52.31
O=C(CCCCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214901	0	41	-1.0	-46.24	325.71	6.17	-40.07
O=C(CCCCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214901	1	41	-1.0	-46.24	325.76	6.18	-40.06
O=C([C@H]1C[C@@H](OC(F)F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214902	0	40	-1.0	-48.58	318.92	3.62	-44.96
O=C([C@H]1C[C@@H](OC(F)F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214902	1	40	-1.0	-48.59	318.98	3.62	-44.97
CN1N=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214903	0	39	-1.0	-47.06	311.15	3.96	-43.10
CN1N=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214903	1	39	-1.0	-47.03	311.10	3.93	-43.10
COC1=CC=C(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020214904	0	42	-1.0	-43.05	337.60	3.04	-40.01
COC1=CC=C(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020214904	1	42	-1.0	-43.04	337.55	3.03	-40.01
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CSC=N1	REAL300020214905	0	35	-1.0	-49.19	294.33	4.19	-45.00
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CSC=N1	REAL300020214905	1	35	-1.0	-49.22	294.28	4.17	-45.05
CC(C)(C)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214906	0	47	-1.0	-50.48	349.41	6.88	-43.60
CC(C)(C)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214906	1	47	-1.0	-50.46	349.35	6.87	-43.59
COC1=CC=CC=C1C1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214907	0	46	-1.0	-53.56	370.35	5.90	-47.66
COC1=CC=CC=C1C1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214907	1	46	-1.0	-53.55	370.30	5.90	-47.65
CC1=NC2=C(CCCC2CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020214908	0	48	-1.0	-55.44	358.35	5.04	-50.40
CC1=NC2=C(CCCC2CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020214908	1	48	-1.0	-55.48	358.54	5.02	-50.46
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214909	0	47	-1.0	-52.04	366.71	4.26	-47.78
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214909	1	47	-1.0	-52.03	366.76	4.28	-47.75
CCCCCC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214910	0	54	-1.0	-49.10	410.66	10.26	-38.84
CCCCCC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214910	1	54	-1.0	-49.14	410.71	10.28	-38.86
O=C(C1COC2=C(F)C=C(F)C=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214911	0	44	-1.0	-44.19	342.13	6.29	-37.90
O=C(C1COC2=C(F)C=C(F)C=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214911	1	44	-1.0	-44.19	342.18	6.30	-37.89
COC(=O)[C@H]1C[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214912	0	42	-1.0	-55.01	327.15	5.07	-49.94
COC(=O)[C@H]1C[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214912	1	42	-1.0	-54.99	327.22	5.07	-49.92
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214913	0	51	-1.0	-54.27	386.03	7.51	-46.76
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214913	1	51	-1.0	-54.29	386.08	7.52	-46.77
CCCCC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214914	0	44	-1.0	-48.85	347.91	5.63	-43.22
CCCCC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214914	1	44	-1.0	-48.83	347.97	5.64	-43.19
CC(C)(C)OCC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214915	0	48	-1.0	-48.04	375.13	4.28	-43.76
CC(C)(C)OCC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214915	1	48	-1.0	-48.02	375.18	4.28	-43.74
CCC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020214916	0	38	-1.0	-50.14	306.13	4.67	-45.47
CCC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020214916	1	38	-1.0	-50.17	306.18	4.67	-45.50
O=C(C1=NNC=C1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214917	0	40	-1.0	-53.49	306.53	4.64	-48.85
O=C(C1=NNC=C1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214917	1	40	-1.0	-53.52	306.58	4.65	-48.87
CC1=C2NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=CC=C1[N+](=O)[O-]	REAL300020214918	0	45	-1.0	-47.92	355.97	7.09	-40.83
CC1=C2NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=CC=C1[N+](=O)[O-]	REAL300020214918	1	45	-1.0	-47.92	356.00	7.10	-40.82
COC1=CC(F)=CC(N2C=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)=C1	REAL300020214919	0	47	-1.0	-51.76	373.20	6.51	-45.25
COC1=CC(F)=CC(N2C=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)=C1	REAL300020214919	1	47	-1.0	-51.71	373.14	6.50	-45.21
O=C(C1CCC2CC2CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214920	0	46	-1.0	-49.12	317.28	6.67	-42.45
O=C(C1CCC2CC2CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214920	1	46	-1.0	-49.13	317.37	6.69	-42.44
O=C(CC1CCC=CCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214921	0	46	-1.0	-46.56	325.63	7.22	-39.34
O=C(CC1CCC=CCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214921	1	46	-1.0	-46.59	325.65	7.24	-39.35
CC(=O)N1CSC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214922	0	41	-1.0	-50.32	318.48	4.48	-45.84
CC(=O)N1CSC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214922	1	41	-1.0	-50.33	318.53	4.49	-45.84
CC1(C)CCC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214923	0	46	-1.0	-49.24	326.56	6.52	-42.72
CC1(C)CCC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214923	1	46	-1.0	-49.23	326.62	6.53	-42.70
CN(C)C1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=CC=C1	REAL300020214924	0	47	-1.0	-54.33	370.46	6.42	-47.91
CN(C)C1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=CC=C1	REAL300020214924	1	47	-1.0	-54.34	370.50	6.43	-47.91
O=C(C1C2CC1(C1=CC=NC=C1)CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214925	0	49	-1.0	-49.12	356.85	7.46	-41.66
O=C(C1C2CC1(C1=CC=NC=C1)CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214925	1	49	-1.0	-49.07	356.81	7.45	-41.62
O=C([C@@H]1C[C@H]1C1=CC=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214926	0	43	-1.0	-51.74	346.99	7.50	-44.24
O=C([C@@H]1C[C@H]1C1=CC=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214926	1	43	-1.0	-51.78	347.05	7.52	-44.26
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=N1	REAL300020214927	0	39	-1.0	-48.96	318.59	2.47	-46.49
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=N1	REAL300020214927	1	39	-1.0	-48.91	318.55	2.47	-46.44
CCC1=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CNC2=N1	REAL300020214928	0	44	-1.0	-68.60	341.51	4.99	-63.61
CCC1=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CNC2=N1	REAL300020214928	1	44	-1.0	-68.56	341.53	4.99	-63.57
O=C(C1=C2N=C(CC3CC3)N=C2NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214929	0	48	-1.0	-79.76	370.89	6.46	-73.30
O=C(C1=C2N=C(CC3CC3)N=C2NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214929	1	48	-1.0	-79.73	370.94	6.46	-73.27
O=C(C(O)C1CCCCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214930	0	52	-1.0	-46.38	345.67	4.95	-41.43
O=C(C(O)C1CCCCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214930	1	52	-1.0	-46.44	345.73	4.97	-41.47
NS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(Cl)O1	REAL300020214931	0	38	-1.0	-49.43	332.06	-1.08	-50.51
NS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(Cl)O1	REAL300020214931	1	38	-1.0	-49.51	332.23	-1.05	-50.56
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C2CCCCC2=N1	REAL300020214932	0	48	-1.0	-48.50	353.63	6.58	-41.92
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C2CCCCC2=N1	REAL300020214932	1	48	-1.0	-48.50	353.64	6.58	-41.92
CC[C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020214933	0	55	-1.0	-54.54	407.62	4.66	-49.88
CC[C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020214933	1	55	-1.0	-54.55	407.68	4.69	-49.86
CC[C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020214934	0	55	-1.0	-54.56	406.58	4.77	-49.79
CC[C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020214934	1	55	-1.0	-54.63	406.65	4.79	-49.84
O=C(C1CCN(CC2=CC=CC=C2)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214935	0	50	-1.0	-47.51	382.15	7.22	-40.29
O=C(C1CCN(CC2=CC=CC=C2)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214935	1	50	-1.0	-47.54	382.21	7.22	-40.32
O=C(C1=NN(C2=CC(F)=CC=C2F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214936	0	43	-1.0	-52.12	347.01	7.20	-44.92
O=C(C1=NN(C2=CC(F)=CC=C2F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214936	1	43	-1.0	-52.11	346.96	7.18	-44.93
O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214937	0	40	-1.0	-56.33	319.11	-1.68	-58.01
O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214937	1	40	-1.0	-56.34	319.16	-1.67	-58.01
O=C(C1CCC(O)(C2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214938	0	50	-1.0	-48.37	373.03	5.09	-43.28
O=C(C1CCC(O)(C2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214938	1	50	-1.0	-48.39	373.09	5.10	-43.29
O=C(C1=CC=C2N=C(C3CCCCC3)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214939	0	54	-1.0	-48.55	407.68	6.31	-42.24
O=C(C1=CC=C2N=C(C3CCCCC3)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214939	1	54	-1.0	-48.56	407.71	6.33	-42.23
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1=CC=C(F)C=C1	REAL300020214940	0	46	-1.0	-53.23	360.49	7.09	-46.14
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=CC=C(F)C=C1	REAL300020214940	1	46	-1.0	-53.26	360.43	7.08	-46.18
O=C(C1CC(=O)N(CC2=CC=CC=C2F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214941	0	50	-1.0	-51.37	387.64	6.73	-44.64
O=C(C1CC(=O)N(CC2=CC=CC=C2F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214941	1	50	-1.0	-51.35	387.70	6.74	-44.61
O=C(C1CC12C(=O)NC1=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214942	0	45	-1.0	-45.09	355.59	4.94	-40.15
O=C(C1CC12C(=O)NC1=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214942	1	45	-1.0	-45.07	355.64	4.96	-40.11
COC1=CC=C(N2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=N2)C=C1	REAL300020214943	0	46	-1.0	-48.00	362.54	4.96	-43.04
COC1=CC=C(N2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=N2)C=C1	REAL300020214943	1	46	-1.0	-48.03	362.48	4.97	-43.06
O=C(CN1N=NN=C1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214944	0	44	-1.0	-55.15	350.60	5.02	-50.13
O=C(CN1N=NN=C1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214944	1	44	-1.0	-55.14	350.67	5.04	-50.10
O=C(C1=CC=C(C2CC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214945	0	40	-1.0	-49.15	313.45	6.15	-43.00
O=C(C1=CC=C(C2CC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214945	1	40	-1.0	-49.20	313.50	6.15	-43.05
O=C(C1=CN=C(C2=CC=CC=N2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214946	0	43	-1.0	-50.91	344.92	4.75	-46.16
O=C(C1=CN=C(C2=CC=CC=N2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214946	1	43	-1.0	-50.95	344.96	4.76	-46.19
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214947	0	47	-1.0	-51.33	377.12	7.95	-43.38
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214947	1	47	-1.0	-51.35	377.17	7.95	-43.40
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)O2)N1	REAL300020214948	0	43	-1.0	-47.52	348.10	4.41	-43.11
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)O2)N1	REAL300020214948	1	43	-1.0	-47.58	348.15	4.41	-43.17
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)O2)[N-]1	REAL300020214948	1	42	-2.0	-98.60	344.67	3.98	-94.62
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)O2)[N-]1	REAL300020214948	1	42	-2.0	-98.60	344.73	3.99	-94.61
COC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020214949	0	46	-1.0	-49.83	353.97	5.83	-44.00
COC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020214949	1	46	-1.0	-49.79	354.04	5.83	-43.96
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)F	REAL300020214950	0	39	-1.0	-53.60	311.44	4.49	-49.11
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)F	REAL300020214950	1	39	-1.0	-53.61	311.49	4.49	-49.12
O=C(C1CC1C1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214951	0	45	-1.0	-61.30	358.68	8.47	-52.83
O=C(C1CC1C1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214951	1	45	-1.0	-61.29	358.74	8.49	-52.80
O=C(C1=CC=C(F)C(C(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214952	0	39	-1.0	-45.57	316.74	6.27	-39.30
O=C(C1=CC=C(F)C(C(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214952	1	39	-1.0	-45.56	316.77	6.28	-39.28
CS(=O)(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214953	0	48	-1.0	-53.30	390.06	4.42	-48.88
CS(=O)(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214953	1	48	-1.0	-53.27	390.12	4.44	-48.83
CC(C)CC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214954	0	44	-1.0	-48.28	344.54	5.29	-42.99
CC(C)CC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214954	1	44	-1.0	-48.39	345.05	5.28	-43.11
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214955	0	51	-1.0	-54.93	370.86	7.65	-47.28
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214955	1	51	-1.0	-54.96	370.91	7.67	-47.29
O=C(C1=CN=C2CCCC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214956	0	44	-1.0	-51.86	342.28	5.30	-46.56
O=C(C1=CN=C2CCCC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214956	1	44	-1.0	-51.89	342.32	5.33	-46.56
O=C(C1=CN=C2SCCN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214957	0	38	-1.0	-44.61	307.69	4.85	-39.76
O=C(C1=CN=C2SCCN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214957	1	38	-1.0	-44.64	307.73	4.82	-39.82
O=C(C1=CC=C(C(F)F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214958	0	39	-1.0	-45.35	319.07	6.33	-39.02
O=C(C1=CC=C(C(F)F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214958	1	39	-1.0	-45.38	319.11	6.34	-39.04
O=C(C1=CSC(C2CCCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214959	0	49	-1.0	-49.68	371.80	8.46	-41.22
O=C(C1=CSC(C2CCCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214959	1	49	-1.0	-49.76	371.89	8.46	-41.30
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214960	0	44	-1.0	-50.37	317.73	7.05	-43.32
O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214960	1	44	-1.0	-50.38	317.79	7.07	-43.31
CC(C)(C)CC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214961	0	47	-1.0	-48.60	361.18	5.86	-42.74
CC(C)(C)CC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214961	1	47	-1.0	-48.68	361.61	5.86	-42.82
CC1CC2CC2CC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214962	0	46	-1.0	-46.72	321.17	6.74	-39.98
CC1CC2CC2CC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214962	1	46	-1.0	-46.71	321.22	6.76	-39.95
COC(=O)C1=CC=C(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214963	0	45	-1.0	-46.47	356.28	7.20	-39.27
COC(=O)C1=CC=C(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214963	1	45	-1.0	-46.43	356.33	7.20	-39.23
CN1C=CC(=O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214964	0	39	-1.0	-54.58	299.90	4.32	-50.26
CN1C=CC(=O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214964	1	39	-1.0	-54.59	299.95	4.34	-50.25
O=C(C1=CC=C2SC=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214965	0	38	-1.0	-50.80	311.29	4.76	-46.04
O=C(C1=CC=C2SC=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214965	1	38	-1.0	-50.85	311.25	4.75	-46.10
O=C(CC1=NOC(C2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214966	0	42	-1.0	-55.05	335.74	5.86	-49.19
O=C(CC1=NOC(C2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214966	1	42	-1.0	-55.08	335.80	5.89	-49.19
O=C(C1=CC(F)=CC(Br)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214967	0	36	-1.0	-46.88	310.35	6.09	-40.79
O=C(C1=CC(F)=CC(Br)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214967	1	36	-1.0	-46.82	310.36	6.09	-40.73
O=C(C=CC1=CC=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020214968	0	40	-1.0	-52.85	325.95	7.35	-45.50
O=C(C=CC1=CC=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020214968	1	40	-1.0	-52.81	326.00	7.36	-45.45
O=C(C=CC1=CC=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214969	0	40	-1.0	-50.48	318.09	6.98	-43.50
O=C(C=CC1=CC=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214969	1	40	-1.0	-50.49	318.15	6.99	-43.50
O=C(C=CC1=CC=C(Br)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214970	0	37	-1.0	-46.23	316.02	5.84	-40.39
O=C(C=CC1=CC=C(Br)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214970	1	37	-1.0	-46.28	316.07	5.85	-40.43
O=C(C1=CC=CC(F)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214971	0	36	-2.0	-118.49	290.53	4.20	-114.29
O=C(C1=CC=CC(F)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214971	1	36	-2.0	-118.64	290.49	4.23	-114.41
O=C(C1=CC=CC(F)=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214971	1	37	-1.0	-48.57	293.89	3.32	-45.25
O=C(C1=CC=CC(F)=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214971	1	37	-1.0	-48.58	293.88	3.35	-45.23
O=C(CC=CC1=CC=C(Br)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214972	0	43	-1.0	-48.54	360.30	8.03	-40.51
O=C(CC=CC1=CC=C(Br)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214972	1	43	-1.0	-48.53	360.37	8.05	-40.48
CSC1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214973	0	46	-1.0	-46.77	369.58	7.93	-38.84
CSC1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214973	1	46	-1.0	-46.78	369.64	7.94	-38.84
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214974	0	41	-1.0	-53.71	335.40	6.29	-47.42
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214974	1	41	-1.0	-53.67	335.46	6.31	-47.36
CP(C)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214975	0	45	-1.0	-54.11	358.14	4.90	-49.21
CP(C)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214975	1	45	-1.0	-54.12	358.14	4.91	-49.21
CS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020214976	0	41	-1.0	-52.23	336.65	0.94	-51.29
CS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020214976	1	41	-1.0	-52.24	336.62	0.94	-51.30
COC1=CC(C#N)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214977	0	41	-1.0	-50.20	327.08	5.66	-44.54
COC1=CC(C#N)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214977	1	41	-1.0	-50.21	327.04	5.67	-44.54
O=CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(Cl)S1	REAL300020214978	0	35	-1.0	-49.90	306.03	4.74	-45.16
O=CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(Cl)S1	REAL300020214978	1	35	-1.0	-49.91	306.06	4.74	-45.17
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CO1	REAL300020214979	0	57	-1.0	-53.97	423.95	2.98	-50.99
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CO1	REAL300020214979	1	57	-1.0	-53.95	424.01	2.98	-50.97
CC(C)C[C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020214980	0	61	-1.0	-53.32	441.51	5.94	-47.38
CC(C)C[C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020214980	1	61	-1.0	-53.30	441.57	5.95	-47.35
COC1=CC(=O)NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214981	0	40	-1.0	-48.73	306.85	1.35	-47.38
COC1=CC(=O)NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214981	1	40	-1.0	-48.73	306.90	1.37	-47.36
O=C(C1=NN2CCCCC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214982	0	45	-1.0	-55.26	343.91	5.24	-50.02
O=C(C1=NN2CCCCC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214982	1	45	-1.0	-55.26	343.97	5.24	-50.02
O=C(C1=CC(N2C=CC=C2)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020214983	0	44	-1.0	-49.07	352.57	8.60	-40.47
O=C(C1=CC(N2C=CC=C2)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020214983	1	44	-1.0	-49.04	352.56	8.61	-40.43
O=C(C1=NN(C2=CC=C(F)C(F)=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214984	0	43	-1.0	-53.05	349.95	7.26	-45.79
O=C(C1=NN(C2=CC=C(F)C(F)=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214984	1	43	-1.0	-53.08	349.90	7.26	-45.82
CC1=CC=CC(C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214985	0	41	-1.0	-48.26	326.56	6.15	-42.11
CC1=CC=CC(C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214985	1	41	-1.0	-48.24	326.61	6.16	-42.08
CCCCS(=O)(=O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214986	0	44	-1.0	-65.40	349.07	2.91	-62.49
CCCCS(=O)(=O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214986	1	44	-1.0	-65.38	349.13	2.92	-62.46
CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214987	0	57	-1.0	-49.74	416.23	5.71	-44.03
CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214987	1	57	-1.0	-49.75	416.29	5.71	-44.04
O=C(COC1CCCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214988	0	49	-1.0	-49.91	355.89	6.36	-43.55
O=C(COC1CCCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214988	1	49	-1.0	-49.91	355.95	6.38	-43.53
O=C(C1=CC=CC2=C1CCCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214989	0	49	-1.0	-43.32	352.49	8.33	-34.99
O=C(C1=CC=CC2=C1CCCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214989	1	49	-1.0	-43.31	352.52	8.33	-34.98
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214990	0	46	-1.0	-46.97	328.18	6.63	-40.34
O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214990	1	46	-1.0	-46.98	328.24	6.65	-40.33
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214991	0	53	-1.0	-49.24	396.47	2.36	-46.88
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214991	1	53	-1.0	-49.31	396.57	2.35	-46.96
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214992	0	36	-2.0	-109.96	296.71	4.33	-105.63
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214992	1	36	-2.0	-110.01	296.73	4.35	-105.66
O=C(C1=CC(F)=CC(F)=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214992	1	37	-1.0	-47.98	298.24	3.34	-44.64
CC1(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020214993	0	46	-1.0	-49.44	343.78	7.82	-41.62
CC1(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020214993	1	46	-1.0	-49.43	343.82	7.83	-41.60
CC(C)CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214994	0	45	-1.0	-48.76	351.06	7.16	-41.60
CC(C)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214994	1	45	-1.0	-48.77	351.11	7.17	-41.60
O=C(CCC1=CC=C2OCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214995	0	50	-1.0	-49.93	378.37	7.93	-42.00
O=C(CCC1=CC=C2OCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214995	1	50	-1.0	-49.95	378.42	7.95	-42.00
O=C(C1=CNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020214996	0	46	-1.0	-65.95	370.40	6.18	-59.77
O=C(C1=CNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020214996	1	46	-1.0	-65.91	370.30	6.16	-59.75
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214997	0	46	-1.0	-47.48	365.32	6.72	-40.76
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214997	1	46	-1.0	-47.44	365.22	6.71	-40.73
CC(C)C[C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020214998	0	61	-1.0	-54.86	450.45	6.06	-48.80
CC(C)C[C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020214998	1	61	-1.0	-54.86	450.51	6.07	-48.79
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCC1	REAL300020214999	0	57	-1.0	-50.98	406.85	6.80	-44.18
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1	REAL300020214999	1	57	-1.0	-50.97	406.90	6.83	-44.14
O=C(CC1=C(Br)SC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215000	0	36	-1.0	-44.48	313.05	6.07	-38.41
O=C(CC1=C(Br)SC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215000	1	36	-1.0	-44.50	313.11	6.07	-38.43
O=C(C1=CC=C(OC2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215001	0	44	-1.0	-48.77	340.93	6.38	-42.39
O=C(C1=CC=C(OC2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215001	1	44	-1.0	-48.78	340.96	6.39	-42.39
O=C(C1=NC=CC2=NC=NC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215002	0	39	-1.0	-50.33	312.60	3.90	-46.43
O=C(C1=NC=CC2=NC=NC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215002	1	39	-1.0	-50.26	312.57	3.89	-46.37
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1(O)CCCCCC1	REAL300020215003	0	49	-1.0	-42.05	344.48	4.26	-37.79
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1(O)CCCCCC1	REAL300020215003	1	49	-1.0	-42.09	344.54	4.28	-37.81
O=C(C1=CC=C(C2CC(=O)C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215004	0	45	-1.0	-51.87	346.63	7.02	-44.85
O=C(C1=CC=C(C2CC(=O)C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215004	1	45	-1.0	-51.81	346.64	7.05	-44.76
O=C(CCC1=C2C=CC=CC2=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215005	0	45	-1.0	-47.78	351.12	5.85	-41.93
O=C(CCC1=C2C=CC=CC2=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215005	1	45	-1.0	-47.83	351.17	5.86	-41.97
O=C(C1=C(Cl)C([N+](=O)[O-])=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215006	0	35	-1.0	-47.35	303.77	4.37	-42.98
O=C(C1=C(Cl)C([N+](=O)[O-])=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215006	1	35	-1.0	-47.33	303.86	4.38	-42.95
O=C(C1=NC2=CNN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215007	0	38	-1.0	-53.94	299.60	3.02	-50.92
O=C(C1=NC2=CNN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215007	1	38	-1.0	-53.96	299.65	3.05	-50.91
O=C(C(O)C1(O)CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215008	0	45	-1.0	-45.04	320.85	-0.99	-46.03
O=C(C(O)C1(O)CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215008	1	45	-1.0	-45.04	320.91	-0.98	-46.02
O=C(C1=CC=C(CO)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215009	0	39	-1.0	-52.50	305.99	1.74	-50.76
O=C(C1=CC=C(CO)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215009	1	39	-1.0	-52.50	305.94	1.74	-50.76
COC1=C(Cl)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215010	0	40	-1.0	-49.33	321.94	5.79	-43.54
COC1=C(Cl)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215010	1	40	-1.0	-49.38	321.96	5.79	-43.59
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215011	0	43	-1.0	-44.64	333.67	4.44	-40.20
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215011	1	43	-1.0	-44.61	333.72	4.46	-40.15
CC(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C(C)C)N1	REAL300020215012	0	52	-1.0	-52.18	386.85	7.12	-45.06
CC(C)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C(C)C)N1	REAL300020215012	1	52	-1.0	-52.16	386.90	7.12	-45.04
CC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C2CCCCN12	REAL300020215013	0	46	-1.0	-54.71	340.31	6.99	-47.72
CC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C2CCCCN12	REAL300020215013	1	46	-1.0	-54.66	340.36	7.02	-47.64
CCCOC1=CC=C2NC=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020215014	0	53	-1.0	-51.93	408.08	7.56	-44.37
CCCOC1=CC=C2NC=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020215014	1	53	-1.0	-51.94	408.13	7.58	-44.36
N#CC1=C2CCCCN2C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215015	0	45	-1.0	-41.11	347.20	7.17	-33.94
N#CC1=C2CCCCN2C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215015	1	45	-1.0	-41.08	347.22	7.19	-33.89
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020215016	0	44	-1.0	-52.88	371.76	2.47	-50.41
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020215016	1	44	-1.0	-52.90	371.81	2.48	-50.42
COC(=O)C1=C2CCCCN2C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215017	0	50	-1.0	-44.47	380.11	7.34	-37.13
COC(=O)C1=C2CCCCN2C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215017	1	50	-1.0	-44.46	380.13	7.37	-37.09
CN1N=CC(Cl)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215018	0	39	-1.0	-46.36	320.77	4.50	-41.86
CN1N=CC(Cl)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215018	1	39	-1.0	-46.40	320.82	4.50	-41.90
O=C(C1CCC2=NNC(=O)N2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215019	0	43	-1.0	-45.36	325.36	3.28	-42.08
O=C(C1CCC2=NNC(=O)N2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215019	1	43	-1.0	-45.37	325.42	3.30	-42.07
O=C(C1=CN2CCOCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215020	0	42	-1.0	-53.12	319.39	4.01	-49.11
O=C(C1=CN2CCOCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215020	1	42	-1.0	-53.13	319.44	4.02	-49.11
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)(C)C	REAL300020215021	0	61	-1.0	-54.19	438.69	6.06	-48.13
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)(C)C	REAL300020215021	1	61	-1.0	-54.22	438.75	6.07	-48.15
CCN1C(=O)NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215022	0	40	-1.0	-52.89	307.30	3.11	-49.78
CCN1C(=O)NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215022	1	40	-1.0	-52.90	307.38	3.12	-49.78
CC1=CC(C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020215023	0	41	-1.0	-43.46	331.84	6.18	-37.28
CC1=CC(C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020215023	1	41	-1.0	-43.46	331.89	6.20	-37.26
COC1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=CC1=O	REAL300020215024	0	46	-1.0	-65.26	359.18	5.40	-59.86
COC1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=CC1=O	REAL300020215024	1	46	-1.0	-65.29	359.25	5.41	-59.88
O=C(C(CC1=CC=CC=C1)C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215025	0	49	-1.0	-42.90	363.41	9.11	-33.79
O=C(C(CC1=CC=CC=C1)C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215025	1	49	-1.0	-42.91	363.49	9.13	-33.78
O=C(C1=CSC(C2=CC=CN=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215026	0	41	-1.0	-51.25	338.04	5.22	-46.03
O=C(C1=CSC(C2=CC=CN=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215026	1	41	-1.0	-51.25	337.98	5.21	-46.04
CNC1=NC=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215027	0	40	-1.0	-48.69	308.32	3.83	-44.86
CNC1=NC=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215027	1	40	-1.0	-48.72	308.38	3.84	-44.88
O=C(CN1N=CC=C1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215028	0	46	-1.0	-52.56	359.85	6.58	-45.98
O=C(CN1N=CC=C1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215028	1	46	-1.0	-52.56	359.78	6.58	-45.98
O=C(CC1CCC2CC2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215029	0	46	-1.0	-48.08	329.61	7.43	-40.65
O=C(CC1CCC2CC2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215029	1	46	-1.0	-48.09	329.64	7.45	-40.64
O=C([C@H]1CC[C@@H](N2C=CC=C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215030	0	50	-1.0	-54.50	354.73	7.84	-46.66
O=C([C@H]1CC[C@@H](N2C=CC=C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215030	1	50	-1.0	-54.50	354.73	7.84	-46.66
CC1=CC=C(OCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020215031	0	46	-1.0	-47.58	370.58	7.35	-40.23
CC1=CC=C(OCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020215031	1	46	-1.0	-47.59	370.62	7.37	-40.22
O=C(C1=C(Cl)C=C2NC(=O)COC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215032	0	42	-1.0	-47.96	342.33	3.05	-44.91
O=C(C1=C(Cl)C=C2NC(=O)COC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215032	1	42	-1.0	-48.01	342.32	3.08	-44.93
O=C(C1=CC=C(OC(F)(F)F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215033	0	40	-1.0	-49.08	329.47	5.16	-43.92
O=C(C1=CC=C(OC(F)(F)F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215033	1	40	-1.0	-49.13	329.43	5.17	-43.96
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1F	REAL300020215034	0	38	-1.0	-51.17	322.76	5.61	-45.56
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1F	REAL300020215034	1	38	-1.0	-51.18	322.80	5.62	-45.56
O=C(CCC1=CC=C(CO)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215035	0	46	-1.0	-48.94	362.18	4.23	-44.71
O=C(CCC1=CC=C(CO)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215035	1	46	-1.0	-48.93	362.24	4.25	-44.68
O=C(C1=NN2C=C(CCO)C=NC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215036	0	44	-1.0	-59.79	351.06	4.48	-55.31
O=C(C1=NN2C=C(CCO)C=NC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215036	1	44	-1.0	-59.78	351.01	4.47	-55.31
O=C(C1=NN2C(=C1)N=CC=C2C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215037	0	41	-1.0	-55.98	341.24	5.66	-50.32
O=C(C1=NN2C(=C1)N=CC=C2C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215037	1	41	-1.0	-55.97	341.18	5.65	-50.32
O=C(C1=C(Br)C=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215038	0	32	-1.0	-46.05	284.68	3.86	-42.19
O=C(C1=C(Br)C=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215038	1	32	-1.0	-46.02	284.76	3.85	-42.17
O=C(C1=C2C=NC=CN2C(C(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215039	0	41	-1.0	-48.01	338.60	5.84	-42.17
O=C(C1=C2C=NC=CN2C(C(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215039	1	41	-1.0	-48.03	338.55	5.82	-42.21
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215040	0	57	-1.0	-58.25	416.17	4.34	-53.91
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215040	1	57	-1.0	-58.29	416.20	4.35	-53.94
CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215041	0	54	-1.0	-52.25	405.24	3.22	-49.03
CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215041	1	54	-1.0	-52.25	405.28	3.25	-49.00
CC(C)(C)OC(=O)N1CCCC(F)(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215042	0	56	-1.0	-48.18	406.91	6.39	-41.79
CC(C)(C)OC(=O)N1CCCC(F)(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215042	1	56	-1.0	-48.18	406.97	6.39	-41.79
CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215043	0	59	-1.0	-47.97	418.79	7.16	-40.81
CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215043	1	59	-1.0	-47.98	418.84	7.17	-40.81
O=C(C1=C2NCCC(C(F)(F)F)N2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215044	0	45	-1.0	-49.85	358.34	4.11	-45.74
O=C(C1=C2NCCC(C(F)(F)F)N2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215044	1	45	-1.0	-49.87	358.24	4.09	-45.78
O=C(C1=CN=C(Cl)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020215045	0	35	-1.0	-44.99	298.68	4.30	-40.69
O=C(C1=CN=C(Cl)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020215045	1	35	-1.0	-44.98	298.65	4.29	-40.69
CN(C)C1=NC=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215046	0	42	-1.0	-48.27	344.25	7.05	-41.22
CN(C)C1=NC=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215046	1	42	-1.0	-48.26	344.21	7.04	-41.22
CC1=CN=C2C(=C1)C=NN2CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215047	0	44	-1.0	-55.23	351.97	5.57	-49.66
CC1=CN=C2C(=C1)C=NN2CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215047	1	44	-1.0	-55.22	351.90	5.55	-49.67
O=C(C1=CC=C(CN2C=C([N+](=O)[O-])C=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215048	0	48	-1.0	-55.12	392.10	7.71	-47.41
O=C(C1=CC=C(CN2C=C([N+](=O)[O-])C=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215048	1	48	-1.0	-55.20	392.10	7.69	-47.51
O=C(C1=CC=C(CN2C=NC([N+](=O)[O-])=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215049	0	47	-1.0	-66.09	389.05	10.78	-55.31
O=C(C1=CC=C(CN2C=NC([N+](=O)[O-])=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215049	1	47	-1.0	-66.03	389.02	10.75	-55.28
O=C(C1=CN(CC2CCCCO2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215050	0	50	-1.0	-51.10	375.24	5.28	-45.82
O=C(C1=CN(CC2CCCCO2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215050	1	50	-1.0	-51.15	375.23	5.28	-45.87
O=C(C1=CSC2=C1CCCCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215051	0	49	-1.0	-49.81	356.40	7.83	-41.98
O=C(C1=CSC2=C1CCCCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215051	1	49	-1.0	-49.91	356.37	7.83	-42.08
CC1(C)CCC2=C(C1)SC=C2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215052	0	49	-1.0	-49.67	367.54	7.86	-41.81
CC1(C)CCC2=C(C1)SC=C2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215052	1	49	-1.0	-49.72	367.52	7.88	-41.84
CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1(O)CCCCC1	REAL300020215053	0	52	-1.0	-47.58	342.60	5.54	-42.04
CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1(O)CCCCC1	REAL300020215053	1	52	-1.0	-47.59	342.64	5.55	-42.04
CC(C)C(O)C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215054	0	42	-1.0	-44.58	316.29	3.29	-41.29
CC(C)C(O)C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215054	1	42	-1.0	-44.57	316.35	3.31	-41.26
C#CC1=CC=CC(NC(=O)CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215055	0	45	-1.0	-60.92	361.95	6.89	-54.03
C#CC1=CC=CC(NC(=O)CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215055	1	45	-1.0	-60.94	362.00	6.91	-54.03
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C(O)C1=CC=CC=C1	REAL300020215056	0	43	-1.0	-45.43	337.40	5.14	-40.29
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C(O)C1=CC=CC=C1	REAL300020215056	1	43	-1.0	-45.42	337.45	5.14	-40.28
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)COC1	REAL300020215057	0	54	-1.0	-53.80	401.13	3.47	-50.33
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)COC1	REAL300020215057	1	54	-1.0	-53.82	401.19	3.49	-50.33
CC(C)(C)OC(=O)C12CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)(C1)C2	REAL300020215058	0	52	-1.0	-48.35	391.56	7.46	-40.89
CC(C)(C)OC(=O)C12CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)(C1)C2	REAL300020215058	1	52	-1.0	-48.39	391.62	7.47	-40.92
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)(F)F)=C1Cl	REAL300020215059	0	39	-1.0	-52.15	329.49	5.18	-46.97
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)(F)F)=C1Cl	REAL300020215059	1	39	-1.0	-52.15	329.44	5.16	-46.99
O=C(CN1CCCC(C(F)(F)F)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215060	0	46	-1.0	-52.80	364.39	5.27	-47.53
O=C(CN1CCCC(C(F)(F)F)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215060	1	46	-1.0	-52.74	364.45	5.29	-47.45
O=C(C1=C2C=CC=CN2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215061	0	39	-1.0	-58.35	303.73	7.59	-50.76
O=C(C1=C2C=CC=CN2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215061	1	39	-1.0	-58.32	303.68	7.59	-50.73
CC1=CC=CN2N=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020215062	0	42	-1.0	-56.04	328.08	6.30	-49.74
CC1=CC=CN2N=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020215062	1	42	-1.0	-55.97	328.03	6.28	-49.69
O=C(C1=CC=C2CCNC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215063	0	44	-1.0	-57.77	340.05	3.88	-53.89
O=C(C1=CC=C2CCNC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215063	1	44	-1.0	-57.74	340.09	3.88	-53.86
CN1N=CC2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020215064	0	41	-1.0	-47.95	324.34	3.36	-44.59
CN1N=CC2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020215064	1	41	-1.0	-47.95	324.31	3.36	-44.59
CC1=CC2=CC=NC=C2C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215065	0	44	-1.0	-52.30	338.27	6.51	-45.79
CC1=CC2=CC=NC=C2C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215065	1	44	-1.0	-52.29	338.22	6.50	-45.79
CC(C)(C)OCCOCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215066	0	52	-1.0	-49.66	388.57	4.93	-44.73
CC(C)(C)OCCOCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215066	1	52	-1.0	-49.70	388.62	4.94	-44.76
O=C(C1=NN2C=C(Br)C=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215067	0	39	-1.0	-50.17	328.40	6.26	-43.91
O=C(C1=NN2C=C(Br)C=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215067	1	39	-1.0	-50.22	328.35	6.24	-43.98
CC(C)C1CCC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)C1	REAL300020215068	0	52	-1.0	-49.09	389.84	8.88	-40.21
CC(C)C1CCC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)C1	REAL300020215068	1	52	-1.0	-49.05	389.89	8.89	-40.16
COC(=O)C1=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1	REAL300020215069	0	46	-1.0	-49.51	366.15	5.66	-43.85
COC(=O)C1=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1	REAL300020215069	1	46	-1.0	-49.49	366.21	5.67	-43.82
O=C(C1CCCC(NC2=CN=CC=N2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215070	0	52	-1.0	-52.65	385.27	4.91	-47.74
O=C(C1CCCC(NC2=CN=CC=N2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215070	1	52	-1.0	-52.62	385.20	4.89	-47.73
O=C(C1=CC=C(NC2=NC=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215071	0	46	-1.0	-52.84	361.10	7.99	-44.85
O=C(C1=CC=C(NC2=NC=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215071	1	46	-1.0	-52.85	361.06	7.98	-44.87
CN(C)C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CSC=N1	REAL300020215072	0	43	-1.0	-51.64	334.97	2.05	-49.59
CN(C)C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CSC=N1	REAL300020215072	1	43	-1.0	-51.62	334.95	2.05	-49.57
CC1=CC(Br)=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215073	0	41	-1.0	-50.91	343.33	5.75	-45.16
CC1=CC(Br)=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215073	1	41	-1.0	-50.94	343.40	5.77	-45.17
CC1(C2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=NO2)CC1	REAL300020215074	0	41	-1.0	-52.68	322.90	3.66	-49.02
CC1(C2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=NO2)CC1	REAL300020215074	1	41	-1.0	-52.75	322.85	3.66	-49.09
CCOCCOCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215075	0	46	-1.0	-49.67	354.27	3.78	-45.89
CCOCCOCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215075	1	46	-1.0	-49.68	354.32	3.80	-45.88
O=C(C1=CC=C2CCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215076	0	44	-1.0	-52.24	342.10	4.74	-47.50
O=C(C1=CC=C2CCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215076	1	44	-1.0	-52.23	342.15	4.74	-47.49
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215077	0	46	-1.0	-51.06	368.99	7.54	-43.52
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215077	1	46	-1.0	-51.04	369.09	7.55	-43.49
CC1=CC=CN2C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C12	REAL300020215078	0	45	-1.0	-54.81	351.23	7.47	-47.34
CC1=CC=CN2C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C12	REAL300020215078	1	45	-1.0	-54.82	351.28	7.49	-47.33
CC1(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)CCOCC1	REAL300020215079	0	47	-1.0	-50.99	347.69	3.97	-47.02
CC1(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)CCOCC1	REAL300020215079	1	47	-1.0	-51.00	347.75	3.99	-47.01
O=C(C1=C(CO)C2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215080	0	43	-1.0	-48.10	336.09	3.46	-44.64
O=C(C1=C(CO)C2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215080	1	43	-1.0	-48.20	336.14	3.47	-44.73
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215081	0	44	-1.0	-45.17	333.88	4.87	-40.30
O=C([C@@H]1C[C@H]1C1CCCO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215081	1	44	-1.0	-45.19	333.95	4.87	-40.32
CS(=O)(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215082	0	45	-1.0	-59.42	363.52	3.98	-55.44
CS(=O)(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215082	1	45	-1.0	-59.45	363.58	3.98	-55.47
CC1=C(CC(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2N1	REAL300020215083	0	49	-1.0	-49.21	382.35	7.74	-41.47
CC1=C(CC(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2N1	REAL300020215083	1	49	-1.0	-49.22	382.40	7.74	-41.48
CC1=CSC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215084	0	39	-1.0	-47.30	314.99	6.23	-41.07
CC1=CSC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215084	1	39	-1.0	-47.30	315.04	6.24	-41.06
O=C(CC1=CC=C2OC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215085	0	42	-1.0	-53.47	339.51	3.56	-49.91
O=C(CC1=CC=C2OC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215085	1	42	-1.0	-53.45	339.57	3.55	-49.90
CC(C)(C)CN1C(=O)NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020215086	0	55	-1.0	-63.42	403.56	6.74	-56.68
CC(C)(C)CN1C(=O)NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020215086	1	55	-1.0	-63.43	403.58	6.74	-56.69
O=C(C1=C2COCCN2C(C2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215087	0	51	-1.0	-53.87	386.04	7.34	-46.53
O=C(C1=C2COCCN2C(C2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215087	1	51	-1.0	-53.87	385.99	7.32	-46.55
O=C(C#CC1CCCOC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215088	0	42	-1.0	-49.83	325.74	4.99	-44.84
O=C(C#CC1CCCOC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215088	1	42	-1.0	-49.92	325.79	4.99	-44.93
C=CCCCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215089	0	49	-1.0	-49.64	376.85	8.88	-40.76
C=CCCCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215089	1	49	-1.0	-49.61	376.85	8.90	-40.71
O=C(C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1)N1CCCCC1	REAL300020215090	0	53	-1.0	-58.39	395.94	7.42	-50.97
O=C(C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1)N1CCCCC1	REAL300020215090	1	53	-1.0	-58.42	395.97	7.43	-50.99
O=C(C1CCC2(CC2(F)F)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215091	0	46	-1.0	-50.31	336.61	7.11	-43.20
O=C(C1CCC2(CC2(F)F)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215091	1	46	-1.0	-50.29	336.66	7.11	-43.18
O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215092	0	48	-1.0	-68.77	371.30	3.53	-65.24
O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215092	1	48	-1.0	-68.77	371.35	3.53	-65.24
O=C(C1CC2(CC2(F)F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215093	0	40	-1.0	-46.32	318.45	5.96	-40.36
O=C(C1CC2(CC2(F)F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215093	1	40	-1.0	-46.32	318.51	5.98	-40.34
CCOC(=O)C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215094	0	42	-1.0	-47.58	337.10	3.64	-43.94
CCOC(=O)C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215094	1	42	-1.0	-47.58	337.15	3.64	-43.94
O=C(CSC1=CC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215095	0	39	-1.0	-50.46	319.48	5.38	-45.08
O=C(CSC1=CC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215095	1	39	-1.0	-50.43	319.43	5.37	-45.06
O=C(C1=CN2N=CN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215096	0	38	-1.0	-47.66	301.77	5.83	-41.83
O=C(C1=CN2N=CN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215096	1	38	-1.0	-47.65	301.74	5.81	-41.84
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC(C=O)=C1	REAL300020215097	0	39	-1.0	-49.05	308.30	3.88	-45.17
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC(C=O)=C1	REAL300020215097	1	39	-1.0	-49.08	308.33	3.88	-45.20
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215098	0	52	0.0	-59.47	379.04	8.49	-50.98
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215098	1	52	0.0	-54.21	380.18	8.48	-45.73
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215098	1	52	0.0	-59.46	379.10	8.49	-50.97
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215098	1	52	0.0	-54.19	380.23	8.48	-45.71
O=C(C1=CC=C(C2(O)COC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215099	0	45	-1.0	-49.14	345.95	2.46	-46.68
O=C(C1=CC=C(C2(O)COC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215099	1	45	-1.0	-49.19	345.98	2.47	-46.72
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1Cl	REAL300020215100	0	36	-1.0	-50.11	312.22	4.67	-45.44
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1Cl	REAL300020215100	1	36	-1.0	-50.10	312.16	4.66	-45.44
O=C(CC(C(F)F)N1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215101	0	48	-1.0	-50.03	354.76	2.49	-47.54
O=C(CC(C(F)F)N1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215101	1	48	-1.0	-50.01	354.82	2.51	-47.50
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC(C2=CC=CN=C2)=N1	REAL300020215102	0	45	-1.0	-50.66	351.79	5.21	-45.45
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC(C2=CC=CN=C2)=N1	REAL300020215102	1	45	-1.0	-50.67	351.87	5.22	-45.45
CC1=CC(C)=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=N1	REAL300020215103	0	44	-1.0	-52.01	353.72	6.03	-45.98
CC1=CC(C)=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=N1	REAL300020215103	1	44	-1.0	-52.01	353.79	6.04	-45.97
O=C(C1=C2NCCCN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215104	0	42	-1.0	-53.16	318.15	2.80	-50.36
O=C(C1=C2NCCCN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215104	1	42	-1.0	-53.17	318.11	2.79	-50.38
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CN=C1C(F)(F)F	REAL300020215105	0	40	-1.0	-45.22	322.46	3.00	-42.22
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CN=C1C(F)(F)F	REAL300020215105	1	40	-1.0	-45.25	322.42	2.98	-42.27
CC1=NSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020215106	0	37	-1.0	-44.98	296.29	1.81	-43.17
CC1=NSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020215106	1	37	-1.0	-45.00	296.30	1.82	-43.18
COC1(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)CCCCC1	REAL300020215107	0	49	-1.0	-44.54	347.32	6.44	-38.10
COC1(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)CCCCC1	REAL300020215107	1	49	-1.0	-44.53	347.35	6.45	-38.08
O=C(C=CC1=NC=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215108	0	36	-1.0	-47.46	299.30	4.25	-43.21
O=C(C=CC1=NC=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215108	1	36	-1.0	-47.44	299.35	4.26	-43.18
O=C(C=CC1=CC=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215109	0	40	-1.0	-51.75	323.61	7.03	-44.72
O=C(C=CC1=CC=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215109	1	40	-1.0	-51.77	323.66	7.04	-44.73
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020215110	0	43	-1.0	-49.41	331.75	5.60	-43.81
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020215110	1	43	-1.0	-49.39	331.79	5.61	-43.78
COC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CS1	REAL300020215111	0	37	-1.0	-53.37	300.68	3.78	-49.59
COC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CS1	REAL300020215111	1	37	-1.0	-53.36	300.67	3.80	-49.56
CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020215112	0	52	-1.0	-49.93	391.82	2.49	-47.44
CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020215112	1	52	-1.0	-49.94	391.87	2.51	-47.43
O=C(CCC1=CN=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215113	0	41	-1.0	-45.60	340.72	6.07	-39.53
O=C(CCC1=CN=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215113	1	41	-1.0	-45.60	340.66	6.07	-39.53
O=C(C1C(F)(F)C12CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215114	0	40	-1.0	-50.51	311.45	6.33	-44.18
O=C(C1C(F)(F)C12CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215114	1	40	-1.0	-50.57	311.50	6.34	-44.23
O=C(C1=CC(F)=CC(OC(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215115	0	40	-1.0	-48.43	322.97	4.97	-43.46
O=C(C1=CC(F)=CC(OC(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215115	1	40	-1.0	-48.49	323.01	4.99	-43.50
CCCCCCCCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215116	0	60	-1.0	-49.22	450.03	11.44	-37.78
CCCCCCCCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215116	1	60	-1.0	-49.17	450.03	11.46	-37.71
O=C(C1C2CC1(C1=CC=CN=C1)CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215117	0	49	-1.0	-48.51	357.63	7.36	-41.15
O=C(C1C2CC1(C1=CC=CN=C1)CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215117	1	49	-1.0	-48.62	357.57	7.36	-41.26
COCC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCCC1	REAL300020215118	0	49	-1.0	-49.30	348.50	6.43	-42.87
COCC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCCC1	REAL300020215118	1	49	-1.0	-49.32	348.50	6.45	-42.87
CC(C)(C)C1=CN=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215119	0	47	-1.0	-49.79	362.94	6.24	-43.55
CC(C)(C)C1=CN=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215119	1	47	-1.0	-49.76	362.91	6.24	-43.52
CC1(C)OC(=O)C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020215120	0	46	-1.0	-53.98	360.49	7.10	-46.88
CC1(C)OC(=O)C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020215120	1	46	-1.0	-53.99	360.52	7.09	-46.90
O=C(C1=CC(C2=C(F)C=CC=C2F)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215121	0	42	-1.0	-51.31	342.37	6.68	-44.63
O=C(C1=CC(C2=C(F)C=CC=C2F)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215121	1	42	-1.0	-51.34	342.31	6.67	-44.67
NC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215122	0	42	-1.0	-50.06	343.12	1.95	-48.11
NC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215122	1	42	-1.0	-50.07	343.15	1.95	-48.12
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215123	0	53	-1.0	-51.36	391.82	2.44	-48.92
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215123	1	53	-1.0	-51.39	391.86	2.44	-48.95
O=C(C1=CC=CC(CCl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215124	0	39	-1.0	-48.42	318.52	6.65	-41.77
O=C(C1=CC=CC(CCl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215124	1	39	-1.0	-48.39	318.56	6.65	-41.74
N#CC1=C(N)N(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020215125	0	39	-1.0	-54.24	323.04	2.83	-51.41
N#CC1=C(N)N(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020215125	1	39	-1.0	-54.21	322.97	2.81	-51.40
CN1N=C(C2CCOCC2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215126	0	50	-1.0	-47.33	373.38	4.45	-42.88
CN1N=C(C2CCOCC2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215126	1	50	-1.0	-47.36	373.51	4.43	-42.93
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215127	0	46	-1.0	-56.70	358.25	7.93	-48.77
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215127	1	46	-1.0	-56.66	358.19	7.92	-48.74
O=C(C1=NN2C=CNC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215128	0	39	-1.0	-61.57	311.72	2.63	-58.94
O=C(C1=NN2C=CNC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215128	1	39	-1.0	-61.58	311.77	2.64	-58.94
COC(=O)C1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020215129	0	44	-1.0	-42.94	345.09	5.13	-37.81
COC(=O)C1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020215129	1	44	-1.0	-43.00	345.14	5.14	-37.86
CCCC(C(=O)OC)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215130	0	44	-1.0	-46.40	330.41	5.14	-41.26
CCCC(C(=O)OC)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215130	1	44	-1.0	-46.41	330.47	5.15	-41.26
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300020215131	0	46	-1.0	-59.43	363.26	7.70	-51.73
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300020215131	1	46	-1.0	-59.44	363.32	7.73	-51.71
CC(=O)NC1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020215132	0	49	-1.0	-60.79	362.97	4.17	-56.62
CC(=O)NC1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020215132	1	49	-1.0	-60.80	363.02	4.18	-56.62
CN(C)C(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020215133	0	45	-1.0	-47.56	348.32	4.39	-43.17
CN(C)C(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020215133	1	45	-1.0	-47.50	348.29	4.38	-43.12
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC2=CC=CC=C2C1=O	REAL300020215134	0	44	-1.0	-51.44	350.16	6.55	-44.89
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC2=CC=CC=C2C1=O	REAL300020215134	1	44	-1.0	-51.50	350.21	6.55	-44.95
CNC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215135	0	45	-1.0	-50.07	365.05	3.40	-46.67
CNC(=O)NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215135	1	45	-1.0	-50.09	365.07	3.40	-46.69
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC(F)F	REAL300020215136	0	43	-1.0	-53.70	339.40	5.68	-48.02
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC(F)F	REAL300020215136	1	43	-1.0	-53.74	339.43	5.70	-48.04
CN1C=C(Br)C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215137	0	39	-1.0	-51.27	330.63	4.43	-46.84
CN1C=C(Br)C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215137	1	39	-1.0	-51.24	330.69	4.46	-46.78
O=C(C1CCC(C(F)(F)F)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215138	0	41	-1.0	-45.86	324.96	2.34	-43.52
O=C(C1CCC(C(F)(F)F)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215138	1	41	-1.0	-45.93	325.02	2.37	-43.56
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC2=CC=CC=C21	REAL300020215139	0	45	-1.0	-51.04	356.09	8.07	-42.97
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC2=CC=CC=C21	REAL300020215139	1	45	-1.0	-51.06	356.11	8.09	-42.97
C[C@H](CC1CCCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215140	0	51	-1.0	-49.49	357.96	7.84	-41.65
C[C@H](CC1CCCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215140	1	51	-1.0	-49.49	358.01	7.84	-41.65
O=C(C1=NN2C=CC=C(Br)C2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215141	0	38	-1.0	-62.33	323.02	6.09	-56.24
O=C(C1=NN2C=CC=C(Br)C2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215141	1	38	-1.0	-62.32	322.96	6.08	-56.24
CC1=CC(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020215142	0	42	-1.0	-52.99	333.93	4.78	-48.21
CC1=CC(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020215142	1	42	-1.0	-53.02	333.99	4.79	-48.23
CC1=CC=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C12	REAL300020215143	0	44	-1.0	-49.93	341.51	6.53	-43.40
CC1=CC=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C12	REAL300020215143	1	44	-1.0	-49.91	341.47	6.51	-43.40
CCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020215144	0	45	-1.0	-52.00	340.80	5.21	-46.79
CCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020215144	1	45	-1.0	-51.99	340.82	5.23	-46.76
CCCN1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020215145	0	45	-1.0	-49.72	342.24	5.23	-44.49
CCCN1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020215145	1	45	-1.0	-49.73	342.28	5.23	-44.50
COC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020215146	0	47	-1.0	-50.53	358.62	6.75	-43.78
COC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020215146	1	47	-1.0	-50.54	358.68	6.77	-43.77
CC(C)C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020215147	0	49	-1.0	-48.07	349.49	3.92	-44.15
CC(C)C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020215147	1	49	-1.0	-48.06	349.53	3.92	-44.14
O=C(C#CC1CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215148	0	44	-1.0	-45.06	339.62	7.00	-38.06
O=C(C#CC1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215148	1	44	-1.0	-45.21	339.69	7.03	-38.18
NC1=C(Cl)N=CN=C1NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215149	0	41	-1.0	-44.75	339.16	2.11	-42.64
NC1=C(Cl)N=CN=C1NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215149	1	41	-1.0	-44.68	339.10	2.10	-42.58
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NN=C1C(F)(F)F	REAL300020215150	0	39	-1.0	-43.48	317.68	3.77	-39.71
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NN=C1C(F)(F)F	REAL300020215150	1	39	-1.0	-43.46	317.74	3.79	-39.67
C[N@H+]1CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020215151	0	46	0.0	-64.73	342.51	6.13	-58.60
C[N@@H+]1CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020215151	1	46	0.0	-61.89	341.61	6.24	-55.65
C[N@H+]1CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020215151	1	46	0.0	-64.73	342.57	6.13	-58.60
C[N@@H+]1CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020215151	1	46	0.0	-61.91	341.68	6.25	-55.66
CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215152	0	50	-1.0	-48.95	376.91	0.47	-48.48
CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215152	1	50	-1.0	-48.96	376.95	0.47	-48.49
CC(CN1C=CN=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215153	0	42	-1.0	-45.94	319.04	6.02	-39.92
CC(CN1C=CN=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215153	1	42	-1.0	-45.92	319.09	6.03	-39.89
O=C(C1=CSC(C2=CNC=N2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215154	0	39	-1.0	-58.11	324.25	4.53	-53.58
O=C(C1=CSC(C2=CNC=N2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215154	1	39	-1.0	-58.11	324.30	4.54	-53.57
O=C(CC1=NC(C(F)(F)F)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215155	0	38	-1.0	-50.75	333.66	4.24	-46.51
O=C(CC1=NC(C(F)(F)F)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215155	1	38	-1.0	-50.73	333.72	4.27	-46.46
O=C(N1CC2=CC=CC=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215156	0	42	-1.0	-52.28	315.59	5.84	-46.44
O=C(N1CC2=CC=CC=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215156	1	42	-1.0	-52.33	315.64	5.85	-46.48
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020215157	0	45	-1.0	-40.22	355.30	7.15	-33.07
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020215157	1	45	-1.0	-40.27	355.35	7.16	-33.11
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020215158	0	42	-1.0	-47.55	346.62	6.44	-41.11
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020215158	1	42	-1.0	-47.55	346.55	6.46	-41.09
CC[C@H](C)[C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020215159	0	61	-1.0	-54.62	444.43	6.28	-48.34
CC[C@H](C)[C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020215159	1	61	-1.0	-54.62	444.50	6.29	-48.33
CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020215160	0	49	-1.0	-49.60	356.78	4.59	-45.01
CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020215160	1	49	-1.0	-49.62	356.81	4.62	-45.00
O=C(C1CC2(C1)CC1(CCC1)C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215161	0	50	-1.0	-46.38	371.35	7.99	-38.39
O=C(C1CC2(C1)CC1(CCC1)C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215161	1	50	-1.0	-46.37	371.41	8.01	-38.36
O=C(C1=CC(C2CC2)=NC2=CC=NN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215162	0	45	-1.0	-52.11	351.05	7.16	-44.95
O=C(C1=CC(C2CC2)=NC2=CC=NN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215162	1	45	-1.0	-52.11	351.12	7.17	-44.94
O=C(C1=CC=CC2=CC=NN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215163	0	39	-1.0	-50.50	299.61	5.60	-44.90
O=C(C1=CC=CC2=CC=NN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215163	1	39	-1.0	-50.51	299.58	5.59	-44.92
O=C(CON=C1CCCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215164	0	49	-1.0	-50.30	366.14	6.51	-43.79
O=C(CON=C1CCCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215164	1	49	-1.0	-50.28	366.20	6.52	-43.76
O=C(CC(N1CCOCC1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215165	0	48	-1.0	-45.70	361.36	2.78	-42.92
O=C(CC(N1CCOCC1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215165	1	48	-1.0	-45.72	361.42	2.80	-42.92
COC(=O)C1(C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215166	0	45	-1.0	-49.03	334.66	5.57	-43.46
COC(=O)C1(C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215166	1	45	-1.0	-49.02	334.71	5.59	-43.43
O=C(C1=C2SC=CC2=NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215167	0	38	-1.0	-51.84	305.94	4.77	-47.07
O=C(C1=C2SC=CC2=NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215167	1	38	-1.0	-51.82	305.91	4.76	-47.06
CN1CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2NC1=O	REAL300020215168	0	46	-1.0	-50.05	354.76	4.59	-45.46
CN1CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2NC1=O	REAL300020215168	1	46	-1.0	-50.05	354.80	4.59	-45.46
O=C(C1=COC2=C1COC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215169	0	38	-1.0	-50.60	297.02	2.81	-47.79
O=C(C1=COC2=C1COC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215169	1	38	-1.0	-50.63	297.08	2.83	-47.80
CC1=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)S1	REAL300020215170	0	39	-1.0	-50.44	334.16	6.54	-43.90
CC1=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)S1	REAL300020215170	1	39	-1.0	-50.47	334.21	6.55	-43.92
CC(C)N1C=NN=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215171	0	44	-1.0	-61.92	339.16	6.64	-55.28
CC(C)N1C=NN=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215171	1	44	-1.0	-61.93	339.20	6.67	-55.26
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215172	0	55	-1.0	-52.65	411.49	4.69	-47.96
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215172	1	55	-1.0	-52.70	411.54	4.71	-47.99
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1N	REAL300020215173	0	44	-1.0	-47.41	344.82	3.42	-43.99
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1N	REAL300020215173	1	44	-1.0	-47.40	344.85	3.42	-43.98
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215174	0	44	-1.0	-50.54	357.64	7.41	-43.13
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215174	1	44	-1.0	-50.64	357.58	7.41	-43.23
O=C(C1=CC=C(C2CCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215175	0	45	-1.0	-49.39	342.96	6.26	-43.13
O=C(C1=CC=C(C2CCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215175	1	45	-1.0	-49.39	343.00	6.27	-43.12
N#CC1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020215176	0	37	-1.0	-57.09	304.77	4.34	-52.75
N#CC1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020215176	1	37	-1.0	-57.09	304.72	4.33	-52.76
CC1=CN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=N1	REAL300020215177	0	39	-1.0	-48.15	318.99	5.85	-42.30
CC1=CN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=N1	REAL300020215177	1	39	-1.0	-48.14	319.05	5.86	-42.28
CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020215178	0	45	-1.0	-45.64	353.25	8.15	-37.49
CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020215178	1	45	-1.0	-45.61	353.27	8.16	-37.45
O=C(C(O)C1=CC=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215179	0	40	-1.0	-46.49	321.63	4.38	-42.11
O=C(C(O)C1=CC=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215179	1	40	-1.0	-46.47	321.69	4.39	-42.08
CC1=CC=C2SC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2=C1	REAL300020215180	0	44	-1.0	-47.76	346.52	7.99	-39.77
CC1=CC=C2SC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2=C1	REAL300020215180	1	44	-1.0	-47.78	346.57	8.01	-39.77
O=C(CC1=CC=C(C2CCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215181	0	49	-1.0	-48.95	368.59	9.04	-39.91
O=C(CC1=CC=C(C2CCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215181	1	49	-1.0	-48.97	368.64	9.04	-39.93
O=C(C1=C(C(F)(F)F)OC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215182	0	42	-1.0	-46.51	350.79	6.67	-39.84
O=C(C1=C(C(F)(F)F)OC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215182	1	42	-1.0	-46.48	350.89	6.70	-39.78
O=C(C1=CC=NC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215183	0	44	-1.0	-49.11	345.97	7.45	-41.66
O=C(C1=CC=NC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215183	1	44	-1.0	-49.08	345.92	7.43	-41.65
O=C(C1=CC2=C(O)C=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215184	0	43	-1.0	-51.55	336.20	4.85	-46.70
O=C(C1=CC2=C(O)C=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215184	1	43	-1.0	-51.57	336.24	4.85	-46.72
CC(C)(C)OC(=O)N1CCOC2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C21	REAL300020215185	0	55	-1.0	-51.81	414.44	4.50	-47.31
CC(C)(C)OC(=O)N1CCOC2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C21	REAL300020215185	1	55	-1.0	-51.75	414.51	4.54	-47.21
COC[C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020215186	0	56	-1.0	-52.55	425.21	3.41	-49.14
COC[C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020215186	1	56	-1.0	-52.53	425.27	3.42	-49.11
CC1=CC(C2CC2)=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215187	0	45	-1.0	-48.78	342.84	6.26	-42.52
CC1=CC(C2CC2)=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215187	1	45	-1.0	-48.81	342.89	6.27	-42.54
O=C(C1=CC=C2CNC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215188	0	43	-1.0	-52.60	336.62	2.62	-49.98
O=C(C1=CC=C2CNC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215188	1	43	-1.0	-52.64	336.66	2.63	-50.01
O=C(C1C2CC1(C1=CC=CC=N1)CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215189	0	49	-1.0	-50.22	362.30	7.95	-42.27
O=C(C1C2CC1(C1=CC=CC=N1)CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215189	1	49	-1.0	-50.22	362.24	7.93	-42.29
CC(C)(C)OC(=O)N1CCCC2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C21	REAL300020215190	0	57	-1.0	-44.39	397.46	6.66	-37.73
CC(C)(C)OC(=O)N1CCCC2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C21	REAL300020215190	1	57	-1.0	-44.37	397.51	6.66	-37.71
CC(C)(C)OC(=O)NC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CC1	REAL300020215191	0	53	-1.0	-47.13	385.37	5.34	-41.79
CC(C)(C)OC(=O)NC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CC1	REAL300020215191	1	53	-1.0	-47.12	385.42	5.35	-41.77
O=C([C@@H]1C[C@H]1C1=CC=NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215192	0	42	-1.0	-50.80	325.52	6.00	-44.80
O=C([C@@H]1C[C@H]1C1=CC=NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215192	1	42	-1.0	-50.79	325.58	6.00	-44.79
O=C(C1=NN2C=C(Br)C=CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215193	0	38	-1.0	-55.62	323.22	6.10	-49.52
O=C(C1=NN2C=C(Br)C=CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215193	1	38	-1.0	-55.56	323.16	6.10	-49.46
O=C(C1=CSC(COC2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215194	0	46	-1.0	-51.78	374.36	6.50	-45.28
O=C(C1=CSC(COC2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215194	1	46	-1.0	-51.83	374.41	6.52	-45.31
CC1=CC=C(C(C)CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215195	0	48	-1.0	-46.35	364.22	7.99	-38.36
CC1=CC=C(C(C)CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215195	1	48	-1.0	-46.34	364.27	8.02	-38.32
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CN=CS1	REAL300020215196	0	35	-1.0	-44.72	296.59	3.68	-41.04
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CN=CS1	REAL300020215196	1	35	-1.0	-44.74	296.54	3.67	-41.07
O=C(C#CC12CC3CC(CC(C3)C1)C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215197	0	52	-1.0	-45.31	379.88	8.66	-36.65
O=C(C#CC12CC3CC(CC(C3)C1)C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215197	1	52	-1.0	-45.37	379.95	8.69	-36.68
CC1=C(C)C2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2)O1	REAL300020215198	0	43	-1.0	-53.64	336.04	5.32	-48.32
CC1=C(C)C2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2)O1	REAL300020215198	1	43	-1.0	-53.64	336.15	5.35	-48.29
CC1=C(Cl)C=C2NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C1	REAL300020215199	0	43	-1.0	-47.72	349.15	6.78	-40.94
CC1=C(Cl)C=C2NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C1	REAL300020215199	1	43	-1.0	-48.12	349.46	6.73	-41.39
COC1=CC=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N(C)C2=C1	REAL300020215200	0	47	-1.0	-52.02	355.84	6.17	-45.85
COC1=CC=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N(C)C2=C1	REAL300020215200	1	47	-1.0	-52.03	355.89	6.18	-45.85
COC1=NOC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215201	0	39	-1.0	-53.33	315.86	1.69	-51.64
COC1=NOC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215201	1	39	-1.0	-53.35	315.92	1.72	-51.63
COCC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020215202	0	42	-1.0	-60.13	331.50	1.40	-58.73
COCC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020215202	1	42	-1.0	-60.13	331.55	1.42	-58.71
COCC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]1	REAL300020215202	1	41	-2.0	-98.14	324.39	-0.09	-98.23
COCC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[N-]1	REAL300020215202	1	41	-2.0	-98.13	324.44	-0.09	-98.22
NC(=O)CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020215203	0	47	-1.0	-58.29	368.68	3.14	-55.15
NC(=O)CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020215203	1	47	-1.0	-58.23	368.70	3.15	-55.08
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020215204	0	39	-1.0	-48.63	319.09	4.60	-44.03
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020215204	1	39	-1.0	-48.63	319.04	4.59	-44.04
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C)O1	REAL300020215205	0	42	-1.0	-51.08	322.37	5.69	-45.39
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C)O1	REAL300020215205	1	42	-1.0	-49.06	321.23	5.92	-43.14
O=C(C1=CN(C2CC2(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215206	0	40	-1.0	-52.17	322.09	4.46	-47.71
O=C(C1=CN(C2CC2(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215206	1	40	-1.0	-52.11	322.05	4.45	-47.66
CN1N=NC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020215207	0	41	-1.0	-39.31	318.98	3.93	-35.38
CN1N=NC2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020215207	1	41	-1.0	-39.28	318.93	3.92	-35.36
O=C(COCCC1=CC=C(Cl)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215208	0	43	-1.0	-49.41	371.21	6.82	-42.59
O=C(COCCC1=CC=C(Cl)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215208	1	43	-1.0	-49.38	371.27	6.83	-42.55
CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)O1	REAL300020215209	0	42	-1.0	-48.96	322.24	5.58	-43.38
CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)O1	REAL300020215209	1	42	-1.0	-48.88	322.30	5.58	-43.30
O=C(C1=CN=C(C2CCOC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215210	0	43	-1.0	-47.56	340.89	3.45	-44.11
O=C(C1=CN=C(C2CCOC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215210	1	43	-1.0	-47.73	341.40	3.44	-44.29
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215211	0	43	-1.0	-53.45	339.91	5.17	-48.28
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215211	1	43	-1.0	-53.47	339.97	5.18	-48.29
COC1=CN(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020215212	0	43	-1.0	-59.74	332.18	4.27	-55.47
COC1=CN(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020215212	1	43	-1.0	-59.69	332.22	4.27	-55.42
O=C(C1CCCC2=C1NC=N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215213	0	43	-1.0	-50.66	315.22	5.38	-45.28
O=C(C1CCCC2=C1NC=N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215213	1	43	-1.0	-50.69	315.26	5.40	-45.29
O=C(C1CCN2N=CN=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215214	0	42	-1.0	-47.44	314.99	5.50	-41.94
O=C(C1CCN2N=CN=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215214	1	42	-1.0	-47.42	315.01	5.50	-41.92
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215215	0	46	-1.0	-54.01	376.13	6.18	-47.83
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215215	1	46	-1.0	-54.04	376.19	6.19	-47.85
O=C(C1=COC2=C1C(=O)NCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215216	0	41	-1.0	-64.45	319.39	2.54	-61.91
O=C(C1=COC2=C1C(=O)NCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215216	1	41	-1.0	-64.46	319.44	2.55	-61.91
O=C(C1=CC(C2=CC=C(F)C=C2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215217	0	43	-1.0	-49.78	351.34	7.87	-41.91
O=C(C1=CC(C2=CC=C(F)C=C2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215217	1	43	-1.0	-49.73	351.40	7.89	-41.84
CN1C=CC(C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=NO2)=N1	REAL300020215218	0	42	-1.0	-54.08	339.51	4.79	-49.29
CN1C=CC(C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=NO2)=N1	REAL300020215218	1	42	-1.0	-54.08	339.56	4.80	-49.28
O=C(COCCC1=CC=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215219	0	43	-1.0	-49.97	354.17	6.20	-43.77
O=C(COCCC1=CC=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215219	1	43	-1.0	-50.00	354.23	6.22	-43.78
CC1=CC(Br)=CC(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215220	0	45	-1.0	-48.87	358.65	8.11	-40.76
CC1=CC(Br)=CC(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215220	1	45	-1.0	-48.89	358.70	8.14	-40.75
O=C(C1=CN2C=CC=C(Br)C2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215221	0	39	-1.0	-53.38	327.55	7.31	-46.07
O=C(C1=CN2C=CC=C(Br)C2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215221	1	39	-1.0	-53.41	327.50	7.28	-46.13
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCOC1	REAL300020215222	0	47	-1.0	-52.45	335.48	3.94	-48.51
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCOC1	REAL300020215222	1	47	-1.0	-52.43	335.53	3.94	-48.49
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215223	0	50	-1.0	-51.15	367.07	9.10	-42.05
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215223	1	50	-1.0	-51.25	367.13	9.11	-42.14
CN1C=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020215224	0	43	-1.0	-54.71	331.00	7.08	-47.63
CN1C=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020215224	1	43	-1.0	-54.72	331.04	7.08	-47.64
O=C(C1=C(F)C=C2OC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215225	0	39	-1.0	-52.23	310.65	5.74	-46.49
O=C(C1=C(F)C=C2OC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215225	1	39	-1.0	-52.25	310.65	5.76	-46.49
CCN1N=CC(Br)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215226	0	39	-1.0	-48.80	328.32	4.83	-43.97
CCN1N=CC(Br)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215226	1	39	-1.0	-48.78	328.27	4.82	-43.96
CCN1C=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215227	0	39	-1.0	-52.04	322.05	5.26	-46.78
CCN1C=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215227	1	39	-1.0	-52.01	322.00	5.26	-46.75
CC(=O)N[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020215228	0	49	-1.0	-60.73	362.98	4.16	-56.57
CC(=O)N[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020215228	1	49	-1.0	-60.73	363.03	4.18	-56.55
O=C(C1=C(Cl)N(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215229	0	43	-1.0	-51.47	355.24	7.02	-44.45
O=C(C1=C(Cl)N(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215229	1	43	-1.0	-51.36	355.73	7.00	-44.36
CCC(C)(C)CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215230	0	50	-1.0	-47.89	355.54	7.20	-40.69
CCC(C)(C)CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215230	1	50	-1.0	-47.88	355.58	7.20	-40.68
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215231	0	46	-1.0	-47.68	356.36	8.05	-39.63
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215231	1	46	-1.0	-47.68	356.43	8.06	-39.62
O=C(C1=CC=C(C2CCCC(=O)N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215232	0	50	-1.0	-55.03	378.36	5.73	-49.30
O=C(C1=CC=C(C2CCCC(=O)N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215232	1	50	-1.0	-55.01	378.40	5.74	-49.27
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215233	0	49	-1.0	-52.51	392.03	7.71	-44.80
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215233	1	49	-1.0	-52.50	391.96	7.70	-44.80
CC1=C(C)C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N=N1	REAL300020215234	0	46	-1.0	-49.35	351.61	5.71	-43.64
CC1=C(C)C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N=N1	REAL300020215234	1	46	-1.0	-49.35	351.65	5.72	-43.63
O=C(C1CCCNS1(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215235	0	41	-1.0	-53.53	318.72	-0.15	-53.68
O=C(C1CCCNS1(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215235	1	41	-1.0	-53.53	318.77	-0.12	-53.65
CC1OC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1C	REAL300020215236	0	47	-1.0	-48.72	353.25	6.51	-42.21
CC1OC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1C	REAL300020215236	1	47	-1.0	-48.67	353.28	6.51	-42.16
CN1C=C(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC1=O	REAL300020215237	0	42	-1.0	-46.43	334.17	5.17	-41.26
CN1C=C(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC1=O	REAL300020215237	1	42	-1.0	-46.44	334.22	5.20	-41.24
COC1=CC=C2C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CNC2=C1	REAL300020215238	0	47	-1.0	-53.37	364.46	5.81	-47.56
COC1=CC=C2C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CNC2=C1	REAL300020215238	1	47	-1.0	-53.33	364.51	5.81	-47.52
CCCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)O1	REAL300020215239	0	45	-1.0	-48.65	343.74	6.36	-42.29
CCCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)O1	REAL300020215239	1	45	-1.0	-48.65	343.79	6.36	-42.29
CN1C=CC2=CC=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020215240	0	42	-1.0	-50.82	324.37	5.88	-44.94
CN1C=CC2=CC=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020215240	1	42	-1.0	-50.86	324.31	5.87	-44.99
O=C(CCC1=C2CCCCC2=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215241	0	49	-1.0	-47.11	371.74	5.59	-41.52
O=C(CCC1=C2CCCCC2=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215241	1	49	-1.0	-47.09	371.81	5.59	-41.50
O=C(C1=C(F)C2=CC=CN=C2C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215242	0	41	-1.0	-51.42	339.54	6.38	-45.04
O=C(C1=C(F)C2=CC=CN=C2C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215242	1	41	-1.0	-51.42	339.57	6.36	-45.06
O=C(C=CC1=CC=C(C(F)F)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215243	0	40	-1.0	-47.36	329.39	6.23	-41.13
O=C(C=CC1=CC=C(C(F)F)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215243	1	40	-1.0	-47.39	329.44	6.23	-41.16
O=C(CCC1=CC=C(Cl)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215244	0	41	-1.0	-47.78	336.26	5.89	-41.89
O=C(CCC1=CC=C(Cl)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215244	1	41	-1.0	-47.75	336.20	5.89	-41.86
CC(C)(C)C1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215245	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	REAL300020215245	1	47	-1.0	-47.89	351.39	5.82	-42.07
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215246	0	43	-1.0	-38.01	345.96	6.42	-31.59
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215246	1	43	-1.0	-37.99	346.01	6.43	-31.56
O=C(C=C1CCCC(C(F)(F)F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215247	0	46	-1.0	-46.17	350.48	7.50	-38.67
O=C(C=C1CCCC(C(F)(F)F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215247	1	46	-1.0	-46.16	350.55	7.51	-38.65
O=C(C=C1C2CC3CC(C2)CC1C3)N1CCCCC1CC1=N[N-]N=N1	REAL300020215248	0	51	-1.0	-49.66	353.23	8.36	-41.30
O=C(C=C1C2CC3CC(C2)CC1C3)N1CCCCC1CC1=NN=N[N-]1	REAL300020215248	1	51	-1.0	-49.66	353.27	8.38	-41.28
CC(=CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020215249	0	45	-1.0	-45.87	360.13	8.38	-37.49
CC(=CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020215249	1	45	-1.0	-45.86	360.18	8.38	-37.48
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215250	0	45	-1.0	-39.71	358.46	8.36	-31.35
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215250	1	45	-1.0	-39.73	358.49	8.38	-31.35
CCCCCCCCCC=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215251	0	57	-1.0	-48.45	427.19	10.24	-38.21
CCCCCCCCCC=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215251	1	57	-1.0	-48.48	427.24	10.25	-38.23
CC1=CC(Br)=CN=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215252	0	38	-1.0	-50.84	318.59	4.98	-45.86
CC1=CC(Br)=CN=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215252	1	38	-1.0	-50.84	318.54	4.96	-45.88
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020215253	0	45	-1.0	-45.02	356.65	7.88	-37.14
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020215253	1	45	-1.0	-45.02	356.67	7.89	-37.13
O=C(C1CCCC12CCOCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215254	0	50	-1.0	-47.48	343.75	5.42	-42.06
O=C(C1CCCC12CCOCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215254	1	50	-1.0	-47.49	343.80	5.44	-42.05
COC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020215255	0	42	-1.0	-44.82	345.13	3.17	-41.65
COC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020215255	1	42	-1.0	-44.76	345.09	3.16	-41.60
CC(C)(C)OC(=O)NC1CCOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215256	0	57	-1.0	-52.22	415.03	4.62	-47.60
CC(C)(C)OC(=O)NC1CCOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215256	1	57	-1.0	-52.24	415.07	4.62	-47.62
O=C(C1=CC2=NC=CC=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215257	0	40	-1.0	-51.52	316.51	3.85	-47.67
O=C(C1=CC2=NC=CC=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215257	1	40	-1.0	-51.48	316.46	3.85	-47.63
COCCC1=NC(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=NO1	REAL300020215258	0	51	-1.0	-49.60	407.14	4.57	-45.03
COCCC1=NC(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=NO1	REAL300020215258	1	51	-1.0	-49.59	407.11	4.54	-45.05
O=C(C1=CN(CC2CC(=O)C2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215259	0	44	-1.0	-53.63	348.71	4.35	-49.28
O=C(C1=CN(CC2CC(=O)C2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215259	1	44	-1.0	-53.70	348.65	4.34	-49.36
O=C(C1=NN2C(=C1)N=CC=C2C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215260	0	41	-1.0	-54.66	334.63	5.53	-49.13
O=C(C1=NN2C(=C1)N=CC=C2C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215260	1	41	-1.0	-54.67	334.69	5.55	-49.12
O=C(C1=CSC2=NC=CN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215261	0	36	-1.0	-42.90	295.83	5.30	-37.60
O=C(C1=CSC2=NC=CN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215261	1	36	-1.0	-42.89	295.83	5.28	-37.61
CC1(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1(F)F	REAL300020215262	0	46	-1.0	-48.60	357.55	7.99	-40.61
CC1(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1(F)F	REAL300020215262	1	46	-1.0	-48.65	357.59	8.01	-40.64
O=C(CC1=CC2=CC=CN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215263	0	44	-1.0	-54.95	344.45	6.87	-48.08
O=C(CC1=CC2=CC=CN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215263	1	44	-1.0	-54.89	344.40	6.86	-48.03
O=C(C1=CN=C(C2CCC2)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215264	0	45	-1.0	-59.03	347.21	4.33	-54.70
O=C(C1=CN=C(C2CCC2)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215264	1	45	-1.0	-59.02	347.24	4.33	-54.69
NC(=O)C1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020215265	0	38	-1.0	-45.46	304.90	-0.58	-46.04
NC(=O)C1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020215265	1	38	-1.0	-45.41	304.84	-0.59	-46.00
CN1N=C(C2CCC2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215266	0	46	-1.0	-43.40	351.79	5.86	-37.54
CN1N=C(C2CCC2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215266	1	46	-1.0	-43.42	351.83	5.90	-37.52
O=C(C1=CC2=C(C=C(Cl)S2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215267	0	36	-1.0	-47.94	323.43	6.67	-41.27
O=C(C1=CC2=C(C=C(Cl)S2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215267	1	36	-1.0	-47.93	323.48	6.70	-41.23
O=C(C1=CC2=C(CCCC2)N=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020215268	0	45	-1.0	-50.98	349.48	6.43	-44.55
O=C(C1=CC2=C(CCCC2)N=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020215268	1	45	-1.0	-50.99	349.50	6.43	-44.56
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=N1	REAL300020215269	0	41	-1.0	-48.73	315.48	4.81	-43.92
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=N1	REAL300020215269	1	41	-1.0	-48.74	315.52	4.81	-43.93
COC(=O)C1CC2(C1)CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020215270	0	49	-1.0	-52.16	377.34	6.82	-45.34
COC(=O)C1CC2(C1)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020215270	1	49	-1.0	-52.17	377.40	6.83	-45.34
O=C(C1=CC=C(C(F)(F)F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215271	0	39	-1.0	-44.29	331.72	6.79	-37.50
O=C(C1=CC=C(C(F)(F)F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215271	1	39	-1.0	-44.31	331.74	6.80	-37.51
CC(=O)NC1=CN=C(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215272	0	45	-1.0	-60.32	348.47	3.15	-57.17
CC(=O)NC1=CN=C(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215272	1	45	-1.0	-60.32	348.53	3.16	-57.16
O=C(N1CCCCC1CC1=N[N-]N=N1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL300020215273	0	43	-1.0	-51.01	335.88	7.66	-43.35
O=C(N1CCCCC1CC1=NN=N[N-]1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL300020215273	1	43	-1.0	-50.98	335.93	7.68	-43.30
CC1CCCN2C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C12	REAL300020215274	0	49	-1.0	-54.79	371.15	6.62	-48.17
CC1CCCN2C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C12	REAL300020215274	1	49	-1.0	-54.79	371.21	6.64	-48.15
CC1=CC(C)=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CN21	REAL300020215275	0	45	-1.0	-63.91	347.46	7.27	-56.64
CC1=CC(C)=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CN21	REAL300020215275	1	45	-1.0	-63.88	347.49	7.29	-56.59
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020215276	0	42	-1.0	-49.03	322.07	6.89	-42.14
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020215276	1	42	-1.0	-49.06	322.10	6.90	-42.16
CC(C)C1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(Cl)S1	REAL300020215277	0	41	-1.0	-42.46	346.34	5.13	-37.33
CC(C)C1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(Cl)S1	REAL300020215277	1	41	-1.0	-42.45	346.30	5.13	-37.32
O=C(CCC1=CC=C2OCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215278	0	48	-1.0	-49.08	375.25	4.47	-44.61
O=C(CCC1=CC=C2OCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215278	1	48	-1.0	-49.07	375.30	4.48	-44.59
O=C(CSCCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215279	0	39	-1.0	-47.49	327.24	6.01	-41.48
O=C(CSCCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215279	1	39	-1.0	-47.50	327.29	6.01	-41.49
O=C(C1CCCC2=NC=NN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215280	0	42	-1.0	-45.41	310.70	6.14	-39.27
O=C(C1CCCC2=NC=NN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215280	1	42	-1.0	-45.44	310.76	6.15	-39.29
CC(CCNC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215281	0	55	-1.0	-48.70	404.06	4.38	-44.32
CC(CCNC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215281	1	55	-1.0	-48.72	404.11	4.38	-44.34
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215282	0	59	-1.0	-63.26	430.07	7.24	-56.02
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215282	1	59	-1.0	-63.32	430.13	7.25	-56.07
C[C@H](C(=O)N1CCCCC1CC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300020215283	0	52	-1.0	-53.09	378.61	5.48	-47.61
C[C@H](C(=O)N1CCCCC1CC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300020215283	1	52	-1.0	-53.07	378.67	5.51	-47.56
O=C(CC1(O)CCCOC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215284	0	44	-1.0	-48.58	317.15	2.50	-46.08
O=C(CC1(O)CCCOC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215284	1	44	-1.0	-48.58	317.19	2.51	-46.07
O=C(CON1C(=O)C2=CC=CC=C2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215285	0	44	-1.0	-64.40	362.63	6.34	-58.06
O=C(CON1C(=O)C2=CC=CC=C2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215285	1	44	-1.0	-64.42	362.69	6.35	-58.07
O=C([C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215286	0	45	-1.0	-65.05	349.46	5.53	-59.52
O=C([C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215286	1	45	-1.0	-65.06	349.47	5.53	-59.53
CN1N=NC2=C1C(C(=O)N1CCCCC1CC1=N[N-]N=N1)CCC2	REAL300020215287	0	45	-1.0	-53.32	332.93	4.19	-49.13
CN1N=NC2=C1C(C(=O)N1CCCCC1CC1=NN=N[N-]1)CCC2	REAL300020215287	1	45	-1.0	-53.28	332.99	4.19	-49.09
O=C(C1=NC(Br)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215288	0	32	-1.0	-44.21	285.31	3.98	-40.23
O=C(C1=NC(Br)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215288	1	32	-1.0	-44.21	285.26	3.96	-40.25
CN1C=CN=C1C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215289	0	39	-1.0	-54.02	309.63	5.39	-48.63
CN1C=CN=C1C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215289	1	39	-1.0	-54.00	309.57	5.37	-48.63
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020215290	0	49	-1.0	-46.82	389.98	8.46	-38.36
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020215290	1	49	-1.0	-46.79	390.03	8.48	-38.31
O=C(C1=CC2=CC=C(Cl)C=C2OC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215291	0	42	-1.0	-48.89	337.37	6.31	-42.58
O=C(C1=CC2=CC=C(Cl)C=C2OC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215291	1	42	-1.0	-48.87	337.41	6.32	-42.55
CCOC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020215292	0	45	-1.0	-53.48	351.79	4.75	-48.73
CCOC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020215292	1	45	-1.0	-53.46	351.85	4.76	-48.70
O=C(C(O)C1=CC=C(C2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215293	0	47	-1.0	-49.06	354.14	5.97	-43.09
O=C(C(O)C1=CC=C(C2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215293	1	47	-1.0	-49.06	354.19	5.98	-43.08
O=C(C=CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC1CC1	REAL300020215294	0	41	-1.0	-46.97	325.63	3.27	-43.70
O=C(C=CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC1CC1	REAL300020215294	1	41	-1.0	-47.02	325.68	3.27	-43.75
CC1=CC=C2C(=C1)CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)S2(=O)=O	REAL300020215295	0	46	-1.0	-60.84	364.91	4.31	-56.53
CC1=CC=C2C(=C1)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)S2(=O)=O	REAL300020215295	1	46	-1.0	-60.81	364.98	4.31	-56.50
CC1=CN(C(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020215296	0	42	-1.0	-54.42	319.48	4.79	-49.63
CC1=CN(C(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020215296	1	42	-1.0	-54.38	319.42	4.79	-49.59
O=C(C=CC1=CC=C(F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215297	0	39	-1.0	-47.55	313.25	5.08	-42.47
O=C(C=CC1=CC=C(F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215297	1	39	-1.0	-47.56	313.30	5.10	-42.46
O=C(CC(NC1CC1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215298	0	44	-1.0	-43.89	342.50	4.28	-39.61
O=C(CC(NC1CC1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215298	1	44	-1.0	-43.83	342.51	4.29	-39.54
O=C(C1CC[N@@H+]2CCOCC12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215299	0	47	0.0	-53.06	325.63	4.13	-48.93
O=C(C1CC[N@H+]2CCOCC12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215299	1	47	0.0	-55.44	328.85	4.34	-51.10
O=C(C1CC[N@@H+]2CCOCC12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215299	1	47	0.0	-53.01	325.70	4.15	-48.86
O=C(C1CC[N@H+]2CCOCC12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215299	1	47	0.0	-55.41	328.91	4.35	-51.06
O=C(C1=CC2=NC=NN2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215300	0	38	-1.0	-48.60	302.09	5.83	-42.77
O=C(C1=CC2=NC=NN2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215300	1	38	-1.0	-48.61	302.07	5.82	-42.79
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215301	0	44	-1.0	-52.04	306.80	4.30	-47.74
O=C([C@@H]1CC[C@H]2C[C@@H]1CO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215301	1	44	-1.0	-52.01	306.83	4.32	-47.69
COC1=CC(C)=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=C1	REAL300020215302	0	47	-1.0	-50.21	363.97	5.60	-44.61
COC1=CC(C)=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=C1	REAL300020215302	1	47	-1.0	-50.52	364.25	5.57	-44.95
O=C(C1=CC2=CC=C(Cl)C(F)=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215303	0	40	-1.0	-46.02	332.83	6.31	-39.71
O=C(C1=CC2=CC=C(Cl)C(F)=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215303	1	40	-1.0	-46.02	332.88	6.32	-39.70
CN1N=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=CN=C21	REAL300020215304	0	40	-1.0	-47.92	315.47	4.94	-42.98
CN1N=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=CN=C21	REAL300020215304	1	40	-1.0	-47.84	315.40	4.93	-42.91
O=C(C1=CC=C(C2(F)COC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215305	0	44	-1.0	-51.37	339.69	5.18	-46.19
O=C(C1=CC=C(C2(F)COC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215305	1	44	-1.0	-51.39	339.73	5.19	-46.20
CC1=C(Cl)C2=NC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C=C1	REAL300020215306	0	44	-1.0	-42.09	356.44	7.35	-34.74
CC1=C(Cl)C2=NC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C=C1	REAL300020215306	1	44	-1.0	-42.07	356.48	7.37	-34.70
O=C(C1CCOC2(CCOCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215307	0	51	-1.0	-50.17	358.09	4.08	-46.09
O=C(C1CCOC2(CCOCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215307	1	51	-1.0	-50.13	358.15	4.10	-46.03
O=C(C1=CC2=C(SC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215308	0	36	-1.0	-49.74	306.67	6.04	-43.70
O=C(C1=CC2=C(SC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215308	1	36	-1.0	-49.76	306.71	6.07	-43.69
CC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215309	0	39	-1.0	-49.65	313.13	6.49	-43.16
CC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215309	1	39	-1.0	-49.59	313.12	6.50	-43.09
COC1=NN2C(=NN=C2CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215310	0	47	-1.0	-51.66	378.80	3.64	-48.02
COC1=NN2C(=NN=C2CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215310	1	47	-1.0	-51.66	378.86	3.66	-48.00
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300020215311	0	41	-2.0	-94.94	330.80	5.76	-89.18
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300020215311	1	41	-2.0	-94.92	330.84	5.78	-89.14
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215312	0	58	-1.0	-44.93	422.04	5.26	-39.67
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215312	1	58	-1.0	-44.94	422.09	5.27	-39.67
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300020215313	0	36	-1.0	-41.68	310.52	3.35	-38.33
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300020215313	1	36	-1.0	-41.68	310.56	3.36	-38.32
CC1=NC(N)=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215314	0	39	-1.0	-41.30	306.41	3.88	-37.42
CC1=NC(N)=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215314	1	39	-1.0	-41.29	306.46	3.88	-37.41
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215315	0	36	-2.0	-108.83	296.99	3.35	-105.48
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215315	1	36	-2.0	-108.98	296.96	3.36	-105.62
O=C(C1=CC=C(F)C(O)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215315	1	37	-1.0	-51.53	300.35	2.62	-48.91
O=C(C1=CC=C(F)C(O)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215315	1	37	-1.0	-51.55	300.35	2.64	-48.91
O=C(C1=COC2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215316	0	40	-1.0	-49.52	316.76	5.77	-43.75
O=C(C1=COC2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215316	1	40	-1.0	-49.45	316.81	5.80	-43.65
O=C(C1CC(=O)C2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215317	0	43	-1.0	-51.04	332.70	6.14	-44.90
O=C(C1CC(=O)C2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215317	1	43	-1.0	-51.06	332.76	6.14	-44.92
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(Br)S1	REAL300020215318	0	36	-1.0	-46.12	309.32	5.73	-40.39
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(Br)S1	REAL300020215318	1	36	-1.0	-46.12	309.34	5.74	-40.38
COC1=CC(C)=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)OC2=C1	REAL300020215319	0	46	-1.0	-48.98	357.35	6.04	-42.94
COC1=CC(C)=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)OC2=C1	REAL300020215319	1	46	-1.0	-49.00	357.41	6.04	-42.96
CC1(C#CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCCO1	REAL300020215320	0	42	-1.0	-46.34	332.39	4.53	-41.81
CC1(C#CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCCO1	REAL300020215320	1	42	-1.0	-45.08	332.45	4.55	-40.53
O=C(C1=CC2=CC=NC=C2C(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215321	0	41	-1.0	-47.39	323.90	3.52	-43.87
O=C(C1=CC2=CC=NC=C2C(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215321	1	41	-1.0	-47.35	323.93	3.52	-43.83
NC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1	REAL300020215322	0	37	-1.0	-56.98	295.76	-0.84	-57.82
NC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1	REAL300020215322	1	37	-1.0	-56.96	295.81	-0.83	-57.79
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1(O)CCOCC1	REAL300020215323	0	44	-1.0	-45.34	323.95	1.36	-43.98
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1(O)CCOCC1	REAL300020215323	1	44	-1.0	-45.37	323.98	1.37	-44.00
O=C(CS(=O)(=O)CCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215324	0	41	-1.0	-62.13	345.71	2.52	-59.61
O=C(CS(=O)(=O)CCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215324	1	41	-1.0	-62.12	345.76	2.53	-59.59
CN(C)C1=NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1	REAL300020215325	0	47	-1.0	-55.58	362.34	7.14	-48.44
CN(C)C1=NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1	REAL300020215325	1	47	-1.0	-55.60	362.38	7.16	-48.44
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215326	0	39	-2.0	-103.32	324.93	5.05	-98.27
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215326	1	39	-2.0	-103.34	324.98	5.05	-98.29
CC1=CC(O)=C(Cl)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215326	1	40	-1.0	-39.20	328.50	4.26	-34.94
CC1=CC(O)=C(Cl)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215326	1	40	-1.0	-39.18	328.54	4.27	-34.91
CC1(C)C(O)CC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215327	0	46	-1.0	-51.24	337.57	3.33	-47.91
CC1(C)C(O)CC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215327	1	46	-1.0	-51.24	337.62	3.34	-47.90
O=C(C1=CC(=O)NC2=NC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215328	0	41	-1.0	-45.69	327.51	4.02	-41.67
O=C(C1=CC(=O)NC2=NC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215328	1	41	-1.0	-45.73	327.55	4.03	-41.70
O=C(C1=CC2(C1)CCOC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215329	0	42	-1.0	-49.19	315.16	4.40	-44.79
O=C(C1=CC2(C1)CCOC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215329	1	42	-1.0	-49.21	315.21	4.41	-44.80
O=C(C1=C(Br)N2C=CC=CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215330	0	39	-1.0	-53.85	324.44	7.23	-46.62
O=C(C1=C(Br)N2C=CC=CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215330	1	39	-1.0	-53.82	324.38	7.22	-46.60
O=C(C1=NC2=C(COCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215331	0	40	-1.0	-51.52	320.76	2.62	-48.90
O=C(C1=NC2=C(COCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215331	1	40	-1.0	-51.56	320.81	2.62	-48.94
O=C(C1=CC=NN1CCF)N1CCCCC1CC1=NN=N[N-]1	REAL300020215332	0	39	-1.0	-48.58	306.57	4.21	-44.37
O=C(C1=CC=NN1CCF)N1CCCCC1CC1=N[N-]N=N1	REAL300020215332	1	39	-1.0	-48.58	306.42	4.18	-44.40
CCC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020215333	0	51	-1.0	-47.50	368.34	9.01	-38.49
CCC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020215333	1	51	-1.0	-47.46	368.37	9.03	-38.43
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=CS1	REAL300020215334	0	38	-1.0	-48.99	299.79	4.88	-44.11
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=CS1	REAL300020215334	1	38	-1.0	-49.03	299.77	4.87	-44.16
CC(C)=CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1O	REAL300020215335	0	50	-1.0	-50.52	384.24	5.97	-44.55
CC(C)=CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1O	REAL300020215335	1	50	-1.0	-50.54	384.28	5.98	-44.56
O=C(C1=COC2=C1NC(=O)CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215336	0	44	-1.0	-58.65	338.68	3.28	-55.37
O=C(C1=COC2=C1NC(=O)CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215336	1	44	-1.0	-58.65	338.77	3.29	-55.36
O=C(C1=CN=C2SC=CN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215337	0	36	-1.0	-50.97	293.43	4.98	-45.99
O=C(C1=CN=C2SC=CN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215337	1	36	-1.0	-50.92	293.37	4.96	-45.96
CC1=NC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020215338	0	41	-1.0	-46.90	335.82	4.80	-42.10
CC1=NC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020215338	1	41	-1.0	-46.90	335.88	4.81	-42.09
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL300020215339	0	42	-1.0	-51.50	340.20	7.42	-44.08
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL300020215339	1	42	-1.0	-51.50	340.24	7.43	-44.07
CC1=CC=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=CC=C12	REAL300020215340	0	44	-1.0	-47.80	340.72	6.49	-41.31
CC1=CC=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=CC=C12	REAL300020215340	1	44	-1.0	-47.80	340.67	6.47	-41.33
O=C(C1=CC2=CC=CC=C2N=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020215341	0	41	-1.0	-51.37	333.17	6.15	-45.22
O=C(C1=CC2=CC=CC=C2N=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020215341	1	41	-1.0	-51.42	333.18	6.13	-45.29
O=C(C1=CC2=CC=C(F)C=C2N=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020215342	0	41	-1.0	-49.26	339.54	6.22	-43.04
O=C(C1=CC2=CC=C(F)C=C2N=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020215342	1	41	-1.0	-49.24	339.56	6.20	-43.04
O=C(C1=CC2=CC=C(F)C=C2NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215343	0	42	-1.0	-57.27	335.12	4.54	-52.73
O=C(C1=CC2=CC=C(F)C=C2NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215343	1	42	-1.0	-57.21	335.18	4.56	-52.65
CCCN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215344	0	42	-1.0	-53.68	323.92	5.43	-48.25
CCCN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215344	1	42	-1.0	-53.68	323.87	5.42	-48.26
O=C(C1=NC(F)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020215345	0	35	-1.0	-46.93	292.02	4.91	-42.02
O=C(C1=NC(F)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020215345	1	35	-1.0	-46.90	291.96	4.91	-41.99
O=C(CN1N=CC2=NC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215346	0	41	-1.0	-55.31	330.30	3.83	-51.48
O=C(CN1N=CC2=NC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215346	1	41	-1.0	-55.34	330.24	3.82	-51.52
CCC(C)N1N=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215347	0	45	-1.0	-41.63	340.77	5.57	-36.06
CCC(C)N1N=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215347	1	45	-1.0	-41.60	340.74	5.54	-36.06
O=C(C1=CN=CC2=CC=C(F)C=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215348	0	41	-1.0	-54.06	322.55	5.82	-48.24
O=C(C1=CN=CC2=CC=C(F)C=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215348	1	41	-1.0	-54.13	322.57	5.81	-48.32
COC1=C(Br)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215349	0	40	-1.0	-49.07	325.76	5.89	-43.18
COC1=C(Br)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215349	1	40	-1.0	-49.14	325.77	5.89	-43.25
C[C@H](CC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215350	0	38	-1.0	-45.10	295.80	4.95	-40.15
C[C@H](CC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215350	1	38	-1.0	-45.12	295.86	4.96	-40.16
CC1=C(O)C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020215351	0	43	-1.0	-40.76	327.91	4.34	-36.42
CC1=C(O)C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020215351	1	43	-1.0	-40.71	327.97	4.35	-36.36
N#CC1=CNC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C12	REAL300020215352	0	41	-1.0	-48.28	329.96	5.90	-42.38
N#CC1=CNC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C12	REAL300020215352	1	41	-1.0	-48.19	329.95	5.90	-42.29
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215353	0	55	-1.0	-55.45	422.92	7.25	-48.20
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215353	1	55	-1.0	-56.41	422.97	7.26	-49.15
NC1=C2C=CN(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=CC=C1	REAL300020215354	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	REAL300020215354	1	45	-1.0	-53.33	355.78	5.36	-47.97
CC(C)(C)OC(=O)C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215355	0	48	-1.0	-48.39	369.87	4.59	-43.80
CC(C)(C)OC(=O)C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215355	1	48	-1.0	-48.40	369.91	4.61	-43.79
O=C(N1CCCCC1CC1=N[N-]N=N1)C1(CC2=NNN=C2)CCC1	REAL300020215356	0	45	-1.0	-53.14	334.35	3.66	-49.48
O=C(N1CCCCC1CC1=NN=N[N-]1)C1(CC2=NNN=C2)CCC1	REAL300020215356	1	45	-1.0	-53.14	334.40	3.68	-49.46
CC(=CN1C=CN=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215357	0	39	-1.0	-46.64	303.60	4.15	-42.49
CC(=CN1C=CN=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215357	1	39	-1.0	-46.64	303.66	4.15	-42.49
CCC(=O)N1CSC[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215358	0	44	-1.0	-51.16	341.68	4.67	-46.49
CCC(=O)N1CSC[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215358	1	44	-1.0	-51.16	341.74	4.68	-46.48
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215359	0	40	-1.0	-47.45	303.76	5.96	-41.49
O=C([C@@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215359	1	40	-1.0	-47.44	303.81	5.98	-41.46
CC(C)OC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020215360	0	46	-1.0	-53.38	361.99	6.80	-46.58
CC(C)OC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020215360	1	46	-1.0	-53.45	362.02	6.81	-46.64
O=C(CC1=CN=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215361	0	38	-1.0	-49.09	319.50	5.33	-43.76
O=C(CC1=CN=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215361	1	38	-1.0	-49.04	319.44	5.31	-43.73
O=C(C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215362	0	50	-1.0	-51.62	391.07	9.11	-42.51
O=C(C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215362	1	50	-1.0	-51.61	391.11	9.13	-42.48
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215363	0	56	-1.0	-48.48	412.33	4.58	-43.90
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215363	1	56	-1.0	-48.48	412.40	4.60	-43.88
O=C(C1=CC2=C(CCCC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215364	0	43	-1.0	-50.44	323.55	6.40	-44.04
O=C(C1=CC2=C(CCCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215364	1	43	-1.0	-50.45	323.60	6.41	-44.04
O=C(C1=CC=C(C2=CNN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215365	0	43	-1.0	-52.25	337.18	5.36	-46.89
O=C(C1=CC=C(C2=CNN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215365	1	43	-1.0	-52.29	337.22	5.38	-46.91
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215366	0	51	-1.0	-47.32	379.71	5.07	-42.25
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215366	1	51	-1.0	-47.32	379.76	5.08	-42.24
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215367	0	54	-1.0	-56.38	400.98	5.79	-50.59
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215367	1	54	-1.0	-56.42	401.14	5.79	-50.63
C=CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215368	0	53	-1.0	-44.74	394.42	4.31	-40.43
C=CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215368	1	53	-1.0	-44.75	394.48	4.31	-40.44
CC1=CC(F)=CC=C1C(O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215369	0	43	-1.0	-45.47	332.55	3.84	-41.63
CC1=CC(F)=CC=C1C(O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215369	1	43	-1.0	-45.46	332.60	3.84	-41.62
CC1=CC=C2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CNC2=C1	REAL300020215370	0	43	-1.0	-61.06	330.80	6.19	-54.87
CC1=CC=C2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CNC2=C1	REAL300020215370	1	43	-1.0	-61.01	330.87	6.21	-54.80
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215371	0	53	-1.0	-48.83	380.44	1.50	-47.33
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215371	1	53	-1.0	-48.83	380.47	1.51	-47.32
CC(=O)C1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2N1	REAL300020215372	0	45	-1.0	-62.09	354.37	6.21	-55.88
CC(=O)C1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2N1	REAL300020215372	1	45	-1.0	-62.10	354.40	6.20	-55.90
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1Br	REAL300020215373	0	39	-1.0	-53.16	321.72	6.55	-46.61
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1Br	REAL300020215373	1	39	-1.0	-53.16	321.76	6.55	-46.61
CCC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCC1=O	REAL300020215374	0	47	-1.0	-46.54	332.98	6.14	-40.40
CCC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1=O	REAL300020215374	1	47	-1.0	-46.49	333.03	6.14	-40.35
O=C(C1=C2C=COC2=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215375	0	39	-1.0	-54.28	316.83	6.02	-48.26
O=C(C1=C2C=COC2=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215375	1	39	-1.0	-54.25	316.88	6.04	-48.21
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215376	0	56	-1.0	-46.77	404.34	6.38	-40.39
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215376	1	56	-1.0	-46.82	404.38	6.41	-40.41
COCC1=NOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215377	0	39	-1.0	-46.54	309.09	2.71	-43.83
COCC1=NOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215377	1	39	-1.0	-46.55	309.14	2.72	-43.83
O=C(C1=CC=C2N=CC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215378	0	41	-1.0	-47.99	326.72	2.58	-45.41
O=C(C1=CC=C2N=CC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215378	1	41	-1.0	-48.00	326.76	2.61	-45.39
COC(=O)C1=CC(OC)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215379	0	45	-1.0	-48.79	358.92	4.44	-44.35
COC(=O)C1=CC(OC)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215379	1	45	-1.0	-48.81	358.87	4.42	-44.39
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CC=CN=C1	REAL300020215380	0	38	-1.0	-48.79	305.49	4.65	-44.14
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CC=CN=C1	REAL300020215380	1	38	-1.0	-48.73	305.44	4.62	-44.11
O=C(C1CC2(C1)CCOC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215381	0	44	-1.0	-47.62	329.23	4.13	-43.49
O=C(C1CC2(C1)CCOC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215381	1	44	-1.0	-47.64	329.30	4.14	-43.50
COCC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCOCC1	REAL300020215382	0	50	-1.0	-49.74	344.99	4.45	-45.29
COCC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCOCC1	REAL300020215382	1	50	-1.0	-49.74	345.02	4.46	-45.28
O=C(C1=CC=C2CCCC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215383	0	42	-1.0	-51.04	318.57	6.27	-44.77
O=C(C1=CC=C2CCCC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215383	1	42	-1.0	-51.11	318.62	6.28	-44.83
CC(C)(C)C1=NOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215384	0	46	-1.0	-54.14	351.14	5.35	-48.79
CC(C)(C)C1=NOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215384	1	46	-1.0	-54.15	351.20	5.37	-48.78
O=C([C@@H]1CC2=CN=CN2C(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215385	0	41	-1.0	-60.32	321.69	3.34	-56.98
O=C([C@@H]1CC2=CN=CN2C(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215385	1	41	-1.0	-60.37	321.64	3.33	-57.04
O=C(C1=CC=C(OC2=CC=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215386	0	46	-1.0	-51.79	365.00	5.67	-46.12
O=C(C1=CC=C(OC2=CC=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215386	1	46	-1.0	-51.75	364.96	5.66	-46.09
CC1=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=NN2C(C(F)F)=C1	REAL300020215387	0	44	-1.0	-57.46	356.15	5.64	-51.82
CC1=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=NN2C(C(F)F)=C1	REAL300020215387	1	44	-1.0	-57.51	356.18	5.64	-51.87
O=C(C1=COC2=C1CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215388	0	43	-1.0	-51.09	323.75	6.18	-44.91
O=C(C1=COC2=C1CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215388	1	43	-1.0	-51.11	323.79	6.20	-44.91
CCC1(CC)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215389	0	48	-1.0	-49.08	343.57	7.01	-42.07
CCC1(CC)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215389	1	48	-1.0	-49.10	343.63	7.04	-42.06
CC(C)(C)C1=NOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215390	0	44	-1.0	-45.05	337.23	5.46	-39.59
CC(C)(C)C1=NOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215390	1	44	-1.0	-45.06	337.16	5.46	-39.60
O=C(C1=CC2=C(C=C1Cl)OCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215391	0	39	-1.0	-48.61	312.30	4.48	-44.13
O=C(C1=CC2=C(C=C1Cl)OCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215391	1	39	-1.0	-48.56	312.32	4.48	-44.08
O=C(C1=CN=CC2=C(C(F)(F)F)C=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215392	0	44	-1.0	-44.20	344.52	6.47	-37.73
O=C(C1=CN=CC2=C(C(F)(F)F)C=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215392	1	44	-1.0	-44.21	344.48	6.46	-37.75
CC(C)C1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C2CCCCN21	REAL300020215393	0	52	-1.0	-52.85	379.24	7.35	-45.50
CC(C)C1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C2CCCCN21	REAL300020215393	1	52	-1.0	-52.83	379.29	7.36	-45.47
CC1=NC2=NC=NN2C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215394	0	40	-1.0	-45.77	311.09	7.44	-38.33
CC1=NC2=NC=NN2C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215394	1	40	-1.0	-45.73	311.14	7.45	-38.28
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCCCC3CC3=N[N-]N=N3)C[C@@H]21	REAL300020215395	0	46	-1.0	-48.41	333.15	6.49	-41.92
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCCCC3CC3=NN=N[N-]3)C[C@@H]21	REAL300020215395	1	46	-1.0	-48.42	333.22	6.50	-41.92
O=C([C@@H]1C[C@H]1C1=CC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215396	0	42	-1.0	-58.19	325.91	5.96	-52.23
O=C([C@@H]1C[C@H]1C1=CC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215396	1	42	-1.0	-58.19	325.96	5.97	-52.22
CC1=CC(C2CCC2)=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215397	0	48	-1.0	-49.07	359.05	6.82	-42.25
CC1=CC(C2CCC2)=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215397	1	48	-1.0	-49.06	359.10	6.83	-42.23
CC(C)[C@@H]1C[C@H](CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020215398	0	55	-1.0	-50.96	392.01	10.20	-40.76
CC(C)[C@@H]1C[C@H](CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020215398	1	55	-1.0	-51.00	392.05	10.22	-40.78
COC1=CC=CC2=C1CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)CO2	REAL300020215399	0	48	-1.0	-53.92	357.31	5.31	-48.61
COC1=CC=CC2=C1CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)CO2	REAL300020215399	1	48	-1.0	-53.95	357.72	5.32	-48.63
CC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=CC=C1F	REAL300020215400	0	43	-1.0	-47.46	336.31	6.43	-41.03
CC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=CC=C1F	REAL300020215400	1	43	-1.0	-47.48	336.36	6.44	-41.04
CC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=CC=C1Cl	REAL300020215401	0	43	-1.0	-47.09	345.00	6.83	-40.26
CC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=CC=C1Cl	REAL300020215401	1	43	-1.0	-47.13	345.05	6.84	-40.29
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(COC2=CC=CC=C2)=N1	REAL300020215402	0	49	-1.0	-50.24	393.45	6.65	-43.59
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(COC2=CC=CC=C2)=N1	REAL300020215402	1	49	-1.0	-50.31	393.75	6.67	-43.64
COC1=CC=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215403	0	39	-1.0	-52.12	301.73	3.33	-48.79
COC1=CC=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215403	1	39	-1.0	-52.14	301.70	3.35	-48.79
O=C(C1=NN2CCNC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215404	0	41	-1.0	-61.25	320.29	1.44	-59.81
O=C(C1=NN2CCNC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215404	1	41	-1.0	-61.28	320.24	1.43	-59.85
CC1=CC2=NC=CN=C2C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215405	0	43	-1.0	-52.15	333.87	4.49	-47.66
CC1=CC2=NC=CN=C2C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215405	1	43	-1.0	-52.16	333.93	4.51	-47.65
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215406	0	47	-1.0	-46.90	373.11	6.59	-40.31
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215406	1	47	-1.0	-46.94	373.15	6.60	-40.34
CC1=CC=C(N2N=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)CCC2=O)C=C1	REAL300020215407	0	50	-1.0	-48.96	388.08	7.19	-41.77
CC1=CC=C(N2N=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)CCC2=O)C=C1	REAL300020215407	1	50	-1.0	-48.97	388.13	7.21	-41.76
O=C(C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215408	0	45	-1.0	-47.05	366.03	7.65	-39.40
O=C(C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215408	1	45	-1.0	-47.06	365.99	7.65	-39.41
CC(=O)NC(CC(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215409	0	48	-1.0	-56.65	357.26	4.53	-52.12
CC(=O)NC(CC(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215409	1	48	-1.0	-56.63	357.32	4.55	-52.08
O=C(C1CCC2C(CC1)C2(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215410	0	46	-1.0	-51.78	327.31	6.89	-44.89
O=C(C1CCC2C(CC1)C2(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215410	1	46	-1.0	-51.78	327.37	6.90	-44.88
CC1=C(C)OC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215411	0	44	-1.0	-51.38	342.79	3.39	-47.99
CC1=C(C)OC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215411	1	44	-1.0	-51.38	342.85	3.40	-47.98
COCCOCCN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215412	0	50	-1.0	-53.85	391.58	3.96	-49.89
COCCOCCN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215412	1	50	-1.0	-53.84	391.52	3.94	-49.90
COCCOCCN1N=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215413	0	50	-1.0	-55.22	389.06	3.36	-51.86
COCCOCCN1N=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215413	1	50	-1.0	-55.21	388.93	3.32	-51.89
O=C(C1=CC=C(CCC2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215414	0	52	-1.0	-49.94	402.45	10.55	-39.39
O=C(C1=CC=C(CCC2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215414	1	52	-1.0	-49.92	402.45	10.58	-39.34
O=C(C1=CC=CC2=C1CNC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215415	0	41	-1.0	-49.46	319.02	2.75	-46.71
O=C(C1=CC=CC2=C1CNC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215415	1	41	-1.0	-49.52	319.06	2.76	-46.76
O=C(C1=NN(CCC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215416	0	42	-1.0	-52.56	342.05	5.82	-46.74
O=C(C1=NN(CCC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215416	1	42	-1.0	-52.57	342.00	5.80	-46.77
O=C(C1=CC=C(C(F)C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215417	0	42	-1.0	-48.40	342.28	7.09	-41.31
O=C(C1=CC=C(C(F)C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215417	1	42	-1.0	-48.36	342.28	7.11	-41.25
O=C(C1=CC=C(C2=CSC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215418	0	42	-1.0	-49.26	342.68	6.11	-43.15
O=C(C1=CC=C(C2=CSC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215418	1	42	-1.0	-49.29	342.64	6.11	-43.18
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215419	0	50	-1.0	-51.00	363.62	7.83	-43.17
O=C(C[C@@H]1CCC[C@H](C2CC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215419	1	50	-1.0	-50.99	363.64	7.84	-43.15
O=C(C(CC1CCCCC1)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215420	0	58	-1.0	-53.74	415.47	10.42	-43.32
O=C(C(CC1CCCCC1)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215420	1	58	-1.0	-53.75	415.52	10.43	-43.32
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)C1=CC=CC=C1Cl	REAL300020215421	0	48	-1.0	-47.56	360.91	8.54	-39.02
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)C1=CC=CC=C1Cl	REAL300020215421	1	48	-1.0	-47.53	360.95	8.55	-38.98
O=C(C1=CC=C(CC2CCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215422	0	49	-1.0	-48.79	369.26	8.84	-39.95
O=C(C1=CC=C(CC2CCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215422	1	49	-1.0	-48.85	369.26	8.85	-40.00
O=C(C1=CC=C(F)C(OC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215423	0	40	-1.0	-45.79	332.33	5.25	-40.54
O=C(C1=CC=C(F)C(OC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215423	1	40	-1.0	-45.82	332.36	5.26	-40.56
CN(C)C1=NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2O1	REAL300020215424	0	46	-1.0	-51.22	359.69	3.98	-47.24
CN(C)C1=NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2O1	REAL300020215424	1	46	-1.0	-51.19	359.66	3.97	-47.22
CS(=N)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215425	0	43	-1.0	-60.77	343.23	1.98	-58.79
CS(=N)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215425	1	43	-1.0	-60.80	343.24	1.99	-58.81
O=C(C1=CN(C2COC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215426	0	40	-1.0	-47.18	312.61	1.40	-45.78
O=C(C1=CN(C2COC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215426	1	40	-1.0	-47.15	312.55	1.40	-45.75
O=C(C1=NN(CCF)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215427	0	39	-1.0	-52.45	309.01	4.82	-47.63
O=C(C1=NN(CCF)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215427	1	39	-1.0	-52.43	308.96	4.80	-47.63
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CC=C(F)C=C1F	REAL300020215428	0	39	-1.0	-43.11	316.52	6.90	-36.21
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL300020215428	1	39	-1.0	-43.05	316.57	6.93	-36.12
O=C(CCC1=CC=C(F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215429	0	41	-1.0	-48.33	325.81	5.41	-42.92
O=C(CCC1=CC=C(F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215429	1	41	-1.0	-48.35	325.75	5.41	-42.94
CC1=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020215430	0	39	-1.0	-53.60	319.00	4.87	-48.73
CC1=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020215430	1	39	-1.0	-53.63	319.05	4.88	-48.75
O=C(C1=CC=C(F)C(C(F)(F)F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215431	0	39	-1.0	-49.22	324.58	6.40	-42.82
O=C(C1=CC=C(F)C(C(F)(F)F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215431	1	39	-1.0	-49.20	324.57	6.41	-42.79
CC(=O)NCC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCCCC1	REAL300020215432	0	55	-1.0	-56.93	385.72	5.61	-51.32
CC(=O)NCC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCCCC1	REAL300020215432	1	55	-1.0	-56.87	385.76	5.63	-51.24
CC1(C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC(C)(C)O1	REAL300020215433	0	52	-1.0	-50.10	368.15	6.06	-44.04
CC1(C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC(C)(C)O1	REAL300020215433	1	52	-1.0	-50.08	368.20	6.06	-44.02
O=C(C1=CC=NC(Br)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215434	0	35	-1.0	-50.44	298.85	4.16	-46.28
O=C(C1=CC=NC(Br)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215434	1	35	-1.0	-50.33	298.82	4.15	-46.18
O=C(C1=C(C(F)F)N=C(C2CC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215435	0	42	-1.0	-52.03	337.42	3.81	-48.22
O=C(C1=C(C(F)F)N=C(C2CC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215435	1	42	-1.0	-52.05	337.47	3.82	-48.23
O=C(CCOC1=C(F)C=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020215436	0	43	-1.0	-51.93	359.34	6.89	-45.04
O=C(CCOC1=C(F)C=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020215436	1	43	-1.0	-52.02	359.39	6.91	-45.11
CS(C)(=O)=NC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020215437	0	42	-1.0	-68.52	345.84	2.51	-66.01
CS(C)(=O)=NC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020215437	1	42	-1.0	-68.46	345.89	2.53	-65.93
O=C(OCC1=CC=CC=C1)N1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215438	0	51	-1.0	-50.81	402.43	6.90	-43.91
O=C(OCC1=CC=CC=C1)N1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215438	1	51	-1.0	-50.90	402.49	6.92	-43.98
O=C(CC1=CC(O)=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215439	0	40	-1.0	-50.58	340.29	3.84	-46.74
O=C(CC1=CC(O)=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215439	1	40	-1.0	-50.57	340.35	3.87	-46.70
O=C(CCCCC1=CC=CC(O)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215440	0	49	-1.0	-51.09	378.69	6.01	-45.08
O=C(CCCCC1=CC=CC(O)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215440	1	49	-1.0	-51.07	378.75	6.03	-45.04
CC1=NC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020215441	0	38	-1.0	-49.77	313.60	4.15	-45.62
CC1=NC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020215441	1	38	-1.0	-49.79	313.66	4.17	-45.62
O=C(C1=CN=C2CCCCC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215442	0	44	-1.0	-50.07	331.25	4.96	-45.11
O=C(C1=CN=C2CCCCC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215442	1	44	-1.0	-50.08	331.31	4.98	-45.10
CC1=C(C)NC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215443	0	43	-1.0	-50.05	335.73	4.95	-45.10
CC1=C(C)NC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215443	1	43	-1.0	-50.11	335.79	4.96	-45.15
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215444	0	57	-1.0	-53.77	433.06	5.77	-48.00
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215444	1	57	-1.0	-53.82	433.13	5.78	-48.04
CS(C)(=O)=NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215445	0	38	-1.0	-69.13	307.66	-0.07	-69.20
CS(C)(=O)=NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215445	1	38	-1.0	-69.12	307.71	-0.07	-69.19
O=C(C=CCCCCCCCO)N1CCCCC1CC1=N[N-]N=N1	REAL300020215446	0	52	-1.0	-51.59	395.61	5.33	-46.26
O=C(C=CCCCCCCCO)N1CCCCC1CC1=NN=N[N-]1	REAL300020215446	1	52	-1.0	-51.60	395.66	5.36	-46.24
O=C(C#CC1CCC(=O)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215447	0	43	-1.0	-53.29	337.76	6.52	-46.77
O=C(C#CC1CCC(=O)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215447	1	43	-1.0	-53.41	337.81	6.53	-46.88
COC(=O)[C@@H]1[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1(F)F	REAL300020215448	0	39	-1.0	-44.84	321.37	5.04	-39.80
COC(=O)[C@@H]1[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1(F)F	REAL300020215448	1	39	-1.0	-44.85	321.42	5.04	-39.81
O=C(C1=CN2N=C(Br)N=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215449	0	38	-1.0	-46.11	323.82	5.62	-40.49
O=C(C1=CN2N=C(Br)N=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215449	1	38	-1.0	-46.15	323.74	5.60	-40.55
CC(C(F)C(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020215450	0	38	-1.0	-44.29	297.34	5.03	-39.26
CC(C(F)C(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020215450	1	38	-1.0	-44.31	297.39	5.03	-39.28
COC1(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)COC1	REAL300020215451	0	48	-1.0	-48.42	360.60	4.71	-43.71
COC1(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)COC1	REAL300020215451	1	48	-1.0	-48.33	360.63	4.71	-43.62
CC1=CNC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215452	0	42	-1.0	-47.76	330.64	4.15	-43.61
CC1=CNC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215452	1	42	-1.0	-47.75	330.70	4.18	-43.57
O=C(CN1CC(C(F)(F)F)CCC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215453	0	46	-1.0	-52.20	365.95	5.20	-47.00
O=C(CN1CC(C(F)(F)F)CCC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215453	1	46	-1.0	-52.19	366.01	5.22	-46.97
CCC1=NC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215454	0	40	-1.0	-47.36	327.55	5.01	-42.35
CCC1=NC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215454	1	40	-1.0	-47.40	327.58	5.04	-42.36
CC1=CC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2)S1	REAL300020215455	0	40	-1.0	-51.94	325.30	5.63	-46.31
CC1=CC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2)S1	REAL300020215455	1	40	-1.0	-51.97	325.43	5.63	-46.34
O=C(C1=CC=C(NS(=O)(=O)C2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215456	0	48	-1.0	-55.68	380.01	3.36	-52.32
O=C(C1=CC=C(NS(=O)(=O)C2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215456	1	48	-1.0	-55.69	380.05	3.39	-52.30
O=C(C1=CC=CC(NS(=O)(=O)C2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215457	0	48	-1.0	-52.36	384.39	3.88	-48.48
O=C(C1=CC=CC(NS(=O)(=O)C2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215457	1	48	-1.0	-52.35	384.43	3.89	-48.46
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215458	0	50	-1.0	-51.73	394.89	3.75	-47.98
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215458	1	50	-1.0	-51.71	394.92	3.75	-47.96
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020215459	0	52	-1.0	-60.60	380.37	5.68	-54.92
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020215459	1	52	-1.0	-60.59	380.42	5.69	-54.90
N#CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]1	REAL300020215460	0	36	-2.0	-99.48	299.46	1.45	-98.03
N#CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[N-]1	REAL300020215460	1	36	-2.0	-99.44	299.56	1.46	-97.98
CC1=CC(F)=C(Br)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215461	0	39	-1.0	-37.70	328.48	7.20	-30.50
CC1=CC(F)=C(Br)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215461	1	39	-1.0	-37.71	328.54	7.20	-30.51
O=C(C1=COC2=C1CSC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215462	0	38	-1.0	-49.79	306.54	5.11	-44.68
O=C(C1=COC2=C1CSC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215462	1	38	-1.0	-49.77	306.58	5.12	-44.65
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215463	0	57	-1.0	-48.65	413.81	9.76	-38.89
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215463	1	57	-1.0	-48.70	413.86	9.79	-38.91
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1=CC=C(Cl)C=C1	REAL300020215464	0	46	-1.0	-52.91	370.81	7.55	-45.36
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=CC=C(Cl)C=C1	REAL300020215464	1	46	-1.0	-52.87	370.75	7.53	-45.34
CC1=CC=C2OC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020215465	0	42	-1.0	-58.05	332.73	6.49	-51.56
CC1=CC=C2OC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020215465	1	42	-1.0	-57.79	332.77	6.54	-51.25
O=C(C1=CC=C2SCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215466	0	44	-1.0	-49.93	344.85	7.75	-42.18
O=C(C1=CC=C2SCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215466	1	44	-1.0	-49.96	344.89	7.76	-42.20
O=C(C1=CC=C2SCCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215467	0	47	-1.0	-47.46	359.67	8.16	-39.30
O=C(C1=CC=C2SCCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215467	1	47	-1.0	-47.51	359.70	8.17	-39.34
CC1=CC=C2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=COC2=C1	REAL300020215468	0	42	-1.0	-56.71	332.70	6.50	-50.21
CC1=CC=C2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=COC2=C1	REAL300020215468	1	42	-1.0	-56.43	332.74	6.55	-49.88
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215469	0	44	-1.0	-59.63	327.39	0.87	-58.76
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215469	1	44	-1.0	-59.63	327.43	0.87	-58.76
COC(=O)CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215470	0	48	-1.0	-50.89	376.50	7.57	-43.32
COC(=O)CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215470	1	48	-1.0	-50.86	376.50	7.59	-43.27
CC(C)=CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020215471	0	49	-1.0	-46.40	379.89	8.79	-37.61
CC(C)=CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020215471	1	49	-1.0	-46.41	379.92	8.79	-37.62
O=C(C1=CC2=C(C=C(Cl)S2)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215472	0	37	-1.0	-45.91	317.36	5.44	-40.47
O=C(C1=CC2=C(C=C(Cl)S2)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215472	1	37	-1.0	-45.88	317.41	5.46	-40.42
O=C(C1=CC=NC(C2=CC=CN=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215473	0	43	-1.0	-49.70	341.02	5.64	-44.06
O=C(C1=CC=NC(C2=CC=CN=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215473	1	43	-1.0	-49.68	340.96	5.63	-44.05
O=C(CC1=CC2=CC=CC=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215474	0	44	-1.0	-52.67	344.51	6.86	-45.81
O=C(CC1=CC2=CC=CC=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215474	1	44	-1.0	-52.71	344.46	6.85	-45.86
COC1(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)CCOCC1	REAL300020215475	0	47	-1.0	-44.88	340.01	3.74	-41.14
COC1(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)CCOCC1	REAL300020215475	1	47	-1.0	-44.88	340.05	3.75	-41.13
CC(C)(C)C1=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020215476	0	46	-1.0	-54.85	361.83	3.64	-51.21
CC(C)(C)C1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020215476	1	46	-1.0	-54.89	361.77	3.63	-51.26
O=C(C1=CC2=C(C=CS2)N1CC1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215477	0	47	-1.0	-44.28	376.97	8.58	-35.70
O=C(C1=CC2=C(C=CS2)N1CC1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215477	1	47	-1.0	-44.31	377.01	8.59	-35.72
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215478	0	46	-1.0	-49.68	368.97	9.23	-40.45
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215478	1	46	-1.0	-49.69	368.97	9.25	-40.44
O=C(C1=NN(C2CC2(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215479	0	40	-1.0	-54.96	324.35	5.50	-49.46
O=C(C1=NN(C2CC2(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215479	1	40	-1.0	-54.94	324.30	5.49	-49.45
O=C(C(F)C1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215480	0	39	-1.0	-50.96	312.22	6.54	-44.42
O=C(C(F)C1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215480	1	39	-1.0	-50.96	312.28	6.56	-44.40
C=CCOC(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215481	0	41	-1.0	-45.51	327.35	2.01	-43.50
C=CCOC(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215481	1	41	-1.0	-45.54	327.40	2.01	-43.53
O=C(C1=CC2=C(C=C(Br)S2)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215482	0	37	-1.0	-45.89	321.99	5.56	-40.33
O=C(C1=CC2=C(C=C(Br)S2)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215482	1	37	-1.0	-45.90	322.04	5.57	-40.33
O=C(C1C2CC1(C1=CC=C(F)C=C1)CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215483	0	50	-1.0	-47.77	368.63	9.27	-38.50
O=C(C1C2CC1(C1=CC=C(F)C=C1)CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215483	1	50	-1.0	-47.78	368.67	9.28	-38.50
CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020215484	0	42	-1.0	-47.52	339.05	7.25	-40.27
CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020215484	1	42	-1.0	-47.55	339.09	7.26	-40.29
CCCC1=C(Br)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020215485	0	42	-1.0	-50.09	353.36	7.49	-42.60
CCCC1=C(Br)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020215485	1	42	-1.0	-50.10	353.41	7.52	-42.58
CSC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020215486	0	40	-1.0	-49.09	341.59	7.11	-41.98
CSC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020215486	1	40	-1.0	-49.10	341.63	7.11	-41.99
O=C(C1=CC2=C(N1)C(Br)=CS2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215487	0	37	-1.0	-48.16	324.81	5.44	-42.72
O=C(C1=CC2=C(N1)C(Br)=CS2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215487	1	37	-1.0	-48.11	324.95	5.44	-42.67
O=C(C1=CC(=O)NC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215488	0	46	-1.0	-54.14	356.79	5.81	-48.33
O=C(C1=CC(=O)NC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215488	1	46	-1.0	-54.12	356.75	5.79	-48.33
COCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC=C1	REAL300020215489	0	40	-1.0	-49.22	311.94	3.50	-45.72
COCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC=C1	REAL300020215489	1	40	-1.0	-49.27	311.99	3.51	-45.76
O=C(C1=COC2=CC(F)=CC(F)=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215490	0	39	-1.0	-50.84	318.06	5.97	-44.87
O=C(C1=COC2=CC(F)=CC(F)=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215490	1	39	-1.0	-50.78	318.06	5.99	-44.79
O=C(C1=CN(CCCF)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215491	0	41	-1.0	-49.19	326.50	4.05	-45.14
O=C(C1=CN(CCCF)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215491	1	41	-1.0	-49.17	326.44	4.04	-45.13
CCN1C=C(OC2=CN=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)C=N1	REAL300020215492	0	48	-1.0	-52.74	378.23	4.16	-48.58
CCN1C=C(OC2=CN=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)C=N1	REAL300020215492	1	48	-1.0	-52.77	378.18	4.15	-48.62
N#CC1=C2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN2N=C1	REAL300020215493	0	39	-1.0	-47.01	324.04	4.75	-42.26
N#CC1=C2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN2N=C1	REAL300020215493	1	39	-1.0	-46.98	323.99	4.73	-42.25
O=C(C1=NC=C(OCC2CC2)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215494	0	46	-1.0	-51.99	360.68	6.31	-45.68
O=C(C1=NC=C(OCC2CC2)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215494	1	46	-1.0	-52.00	360.62	6.31	-45.69
CN1N=CC2=C1SC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020215495	0	39	-1.0	-51.41	319.00	4.72	-46.69
CN1N=CC2=C1SC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020215495	1	39	-1.0	-51.38	318.96	4.71	-46.67
COC1=CC=CC=C1N1C=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215496	0	47	-1.0	-53.95	368.38	8.09	-45.86
COC1=CC=CC=C1N1C=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215496	1	47	-1.0	-53.94	368.34	8.07	-45.87
O=C(C1=CN=C(C2CCOCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215497	0	48	-1.0	-46.44	365.25	4.03	-42.41
O=C(C1=CN=C(C2CCOCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215497	1	48	-1.0	-46.48	365.29	4.03	-42.45
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Br)=C1C	REAL300020215498	0	42	-1.0	-48.33	333.77	7.05	-41.28
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Br)=C1C	REAL300020215498	1	42	-1.0	-48.31	333.80	7.05	-41.26
O=C(C1CC2C=CCC(C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215499	0	47	-1.0	-45.44	293.17	6.07	-39.37
O=C(C1CC2C=CCC(C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215499	1	47	-1.0	-45.45	293.20	6.06	-39.39
COC1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215500	0	39	-1.0	-48.61	304.47	2.81	-45.80
COC1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215500	1	39	-1.0	-48.59	304.44	2.81	-45.78
CC(C)CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020215501	0	55	-1.0	-54.24	415.88	9.48	-44.76
CC(C)CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020215501	1	55	-1.0	-54.24	415.93	9.49	-44.75
CC1CCN(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020215502	0	54	-1.0	-49.83	390.93	7.19	-42.64
CC1CCN(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020215502	1	54	-1.0	-49.84	390.97	7.19	-42.65
O=C(CC1=CC=NC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020215503	0	38	-1.0	-48.99	317.07	4.69	-44.30
O=C(CC1=CC=NC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020215503	1	38	-1.0	-49.01	317.14	4.70	-44.31
O=C(C1=CC2=CC=C(O)C=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215504	0	41	-1.0	-51.94	325.62	2.61	-49.33
O=C(C1=CC2=CC=C(O)C=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215504	1	41	-1.0	-51.73	325.70	2.67	-49.06
CC1=CC(=O)N2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2N1	REAL300020215505	0	42	-1.0	-49.42	336.20	3.76	-45.66
CC1=CC(=O)N2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2N1	REAL300020215505	1	42	-1.0	-49.41	336.22	3.83	-45.58
CS(=N)(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215506	0	43	-1.0	-62.96	346.06	2.18	-60.78
CS(=N)(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215506	1	43	-1.0	-62.99	346.10	2.17	-60.82
COC1=CC=C(C(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020215507	0	46	-1.0	-57.36	353.27	6.24	-51.12
COC1=CC=C(C(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020215507	1	46	-1.0	-57.30	353.29	6.25	-51.05
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CC(F)(F)C1	REAL300020215508	0	43	-1.0	-50.14	332.73	5.09	-45.05
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CC(F)(F)C1	REAL300020215508	1	43	-1.0	-50.08	332.66	5.10	-44.98
O=C(COC1CCCOC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215509	0	44	-1.0	-51.89	330.80	3.84	-48.05
O=C(COC1CCCOC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215509	1	44	-1.0	-51.90	330.85	3.86	-48.04
CC(C)(C)C1(C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215510	0	51	-1.0	-46.72	360.16	6.76	-39.96
CC(C)(C)C1(C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215510	1	51	-1.0	-46.71	360.22	6.79	-39.92
O=C(C1=COC(C2=CC=C(F)C=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215511	0	42	-1.0	-46.80	342.35	5.15	-41.65
O=C(C1=COC(C2=CC=C(F)C=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215511	1	42	-1.0	-46.77	342.29	5.15	-41.62
O=C(COCC1=NC(C2CC2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215512	0	45	-1.0	-59.38	360.71	3.72	-55.66
O=C(COCC1=NC(C2CC2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215512	1	45	-1.0	-59.39	360.76	3.73	-55.66
CN1CCC2=CC(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020215513	0	48	-1.0	-50.54	366.70	5.84	-44.70
CN1CCC2=CC(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020215513	1	48	-1.0	-50.51	366.76	5.85	-44.66
CC1=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020215514	0	45	-1.0	-49.27	351.64	5.03	-44.24
CC1=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020215514	1	45	-1.0	-49.30	351.70	5.06	-44.24
O=C(CN1C=NC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215515	0	36	-1.0	-54.21	310.34	5.57	-48.64
O=C(CN1C=NC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215515	1	36	-1.0	-54.25	310.27	5.56	-48.69
O=C(C1=CC=C2C(=C1)CNC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215516	0	41	-1.0	-51.13	322.68	2.91	-48.22
O=C(C1=CC=C2C(=C1)CNC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215516	1	41	-1.0	-51.12	322.73	2.91	-48.21
O=C(C1=NC=C(Cl)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215517	0	34	-1.0	-50.18	287.15	3.80	-46.38
O=C(C1=NC=C(Cl)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215517	1	34	-1.0	-50.19	287.10	3.78	-46.41
CCS(=O)(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215518	0	47	-1.0	-52.10	374.86	2.97	-49.13
CCS(=O)(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215518	1	47	-1.0	-52.03	374.77	2.97	-49.06
CC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020215519	0	59	-1.0	-46.92	425.10	6.95	-39.97
CC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020215519	1	59	-1.0	-46.90	425.15	6.97	-39.93
O=C([C@@H]1C[C@H]1C1=CC=C(Br)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215520	0	42	-1.0	-48.50	346.92	6.51	-41.99
O=C([C@@H]1C[C@H]1C1=CC=C(Br)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215520	1	42	-1.0	-48.48	346.87	6.51	-41.97
O=C(C1=CN(CCN2CCOCC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215521	0	51	-1.0	-47.68	386.69	1.62	-46.06
O=C(C1=CN(CCN2CCOCC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215521	1	51	-1.0	-47.66	386.75	1.64	-46.02
O=C(C1=CC=C(C(F)(F)F)N=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215522	0	38	-1.0	-49.32	318.87	4.62	-44.70
O=C(C1=CC=C(C(F)(F)F)N=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215522	1	38	-1.0	-49.31	318.88	4.62	-44.69
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)S(N)(=O)=O	REAL300020215523	0	37	-1.0	-64.94	293.57	-1.51	-66.45
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)S(N)(=O)=O	REAL300020215523	1	37	-1.0	-64.95	293.62	-1.49	-66.44
O=C(C1=NNC2=C1C(=O)NC=N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215524	0	38	-1.0	-64.27	302.19	3.39	-60.88
O=C(C1=NNC2=C1C(=O)NC=N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215524	1	38	-1.0	-64.25	302.24	3.39	-60.86
O=C(C1=COC2=C1C(O)CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215525	0	44	-1.0	-55.07	334.24	2.84	-52.23
O=C(C1=COC2=C1C(O)CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215525	1	44	-1.0	-55.13	334.30	2.85	-52.28
CC1=CNC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215526	0	40	-1.0	-49.88	316.02	4.44	-45.44
CC1=CNC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215526	1	40	-1.0	-49.91	316.07	4.44	-45.47
O=C(C1=CC(C2=CC=CN=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215527	0	41	-1.0	-46.64	329.60	4.81	-41.83
O=C(C1=CC(C2=CC=CN=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215527	1	41	-1.0	-46.67	329.54	4.79	-41.88
O=C(C(O)C1CCCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215528	0	49	-1.0	-47.71	339.26	4.50	-43.21
O=C(C(O)C1CCCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215528	1	49	-1.0	-47.73	339.28	4.50	-43.23
BrC1=C2OC(SCCC3=NN=N[N-]3)=NC2=CC=C1	REAL300020219529	0	25	-1.0	-40.97	263.48	2.58	-38.39
BrC1=C2OC(SCCC3=N[N-]N=N3)=NC2=CC=C1	REAL300020219529	1	25	-1.0	-40.93	263.42	2.57	-38.36
CC1=CC=C(Br)N=C1SCCC1=NN=N[N-]1	REAL300020219530	0	25	-1.0	-42.84	254.95	4.24	-38.60
CC1=CC=C(Br)N=C1SCCC1=N[N-]N=N1	REAL300020219530	1	25	-1.0	-42.85	254.89	4.23	-38.62
CC(C)C1=NC=C(Br)C(SCCC2=N[N-]N=N2)=N1	REAL300020219531	0	30	-1.0	-37.99	292.03	4.74	-33.25
CC(C)C1=NC=C(Br)C(SCCC2=NN=N[N-]2)=N1	REAL300020219531	1	30	-1.0	-38.00	292.08	4.76	-33.24
ClC1=C(I)C=CN=C1SCCC1=NN=N[N-]1	REAL300020219532	0	22	-1.0	-37.78	255.71	4.65	-33.13
ClC1=C(I)C=CN=C1SCCC1=N[N-]N=N1	REAL300020219532	1	22	-1.0	-37.78	255.65	4.64	-33.14
ClC1=CC=CC(CN2N=CC3=C(SCCC4=NN=N[N-]4)N=CN=C32)=C1	REAL300020219533	0	37	-1.0	-39.84	356.87	8.30	-31.54
ClC1=CC=CC(CN2N=CC3=C(SCCC4=N[N-]N=N4)N=CN=C32)=C1	REAL300020219533	1	37	-1.0	-39.85	356.81	8.28	-31.57
CCC1=NC(SCCC2=N[N-]N=N2)=C2SC=C(C)C2=N1	REAL300020219534	0	33	-1.0	-41.42	310.45	5.47	-35.95
CCC1=NC(SCCC2=NN=N[N-]2)=C2SC=C(C)C2=N1	REAL300020219534	1	33	-1.0	-41.38	310.50	5.48	-35.90
CC(C)(C)C1=NC=C(I)C(SCCC2=NN=N[N-]2)=N1	REAL300020219535	0	33	-1.0	-37.57	316.78	5.97	-31.60
CC(C)(C)C1=NC=C(I)C(SCCC2=N[N-]N=N2)=N1	REAL300020219535	1	33	-1.0	-37.59	316.72	5.95	-31.64
BrC1=CC2=NC=C(SCCC3=NN=N[N-]3)N=C2C=C1	REAL300020219536	0	27	-1.0	-38.79	276.93	4.06	-34.73
BrC1=CC2=NC=C(SCCC3=N[N-]N=N3)N=C2C=C1	REAL300020219536	1	27	-1.0	-38.78	276.87	4.04	-34.74
BrC1=CC=C2N=C(SCCC3=NN=N[N-]3)OC2=C1	REAL300020219537	0	25	-1.0	-38.38	263.45	2.59	-35.79
BrC1=CC=C2N=C(SCCC3=N[N-]N=N3)OC2=C1	REAL300020219537	1	25	-1.0	-38.38	263.40	2.58	-35.80
CC1=NC(C2CC2)=NC(SCCC2=N[N-]N=N2)=C1I	REAL300020219538	0	31	-1.0	-38.62	305.17	6.15	-32.47
CC1=NC(C2CC2)=NC(SCCC2=NN=N[N-]2)=C1I	REAL300020219538	1	31	-1.0	-38.66	305.23	6.16	-32.50
BrC1=CSC2=NC=NC(SCCC3=NN=N[N-]3)=C12	REAL300020219539	0	24	-1.0	-40.35	261.62	4.70	-35.65
BrC1=CSC2=NC=NC(SCCC3=N[N-]N=N3)=C12	REAL300020219539	1	24	-1.0	-40.34	261.56	4.69	-35.65
CC1=CSC2=C(SCCC3=N[N-]N=N3)N=C(C3CC3)N=C12	REAL300020219540	0	34	-1.0	-41.84	319.44	6.55	-35.29
CC1=CSC2=C(SCCC3=NN=N[N-]3)N=C(C3CC3)N=C12	REAL300020219540	1	34	-1.0	-41.83	319.50	6.57	-35.26
BrC1=CC=CC2=NC(SCCC3=NN=N[N-]3)=CN=C12	REAL300020219541	0	27	-1.0	-40.74	276.13	4.17	-36.57
BrC1=CC=CC2=NC(SCCC3=N[N-]N=N3)=CN=C12	REAL300020219541	1	27	-1.0	-40.74	276.07	4.16	-36.58
C[N@@H+]1CCC2=NC(SCCC3=N[N-]N=N3)=C(C#N)C=C2C1	REAL300020219542	0	36	0.0	-72.05	315.32	5.79	-66.26
C[N@H+]1CCC2=NC(SCCC3=N[N-]N=N3)=C(C#N)C=C2C1	REAL300020219542	1	36	0.0	-72.00	315.34	5.79	-66.21
C[N@@H+]1CCC2=NC(SCCC3=NN=N[N-]3)=C(C#N)C=C2C1	REAL300020219542	1	36	0.0	-72.06	315.38	5.81	-66.25
C[N@H+]1CCC2=NC(SCCC3=NN=N[N-]3)=C(C#N)C=C2C1	REAL300020219542	1	36	0.0	-71.99	315.40	5.81	-66.18
N#CC1=CC2=C(CCS(=O)(=O)C2)N=C1SCCC1=N[N-]N=N1	REAL300020219543	0	33	-1.0	-48.48	315.79	2.05	-46.43
N#CC1=CC2=C(CCS(=O)(=O)C2)N=C1SCCC1=NN=N[N-]1	REAL300020219543	1	33	-1.0	-48.48	315.84	2.07	-46.41
FC(F)(F)C1=NC(SCCC2=NN=N[N-]2)=CC=C1Cl	REAL300020219544	0	25	-1.0	-42.34	267.05	4.59	-37.75
FC(F)(F)C1=NC(SCCC2=N[N-]N=N2)=CC=C1Cl	REAL300020219544	1	25	-1.0	-42.34	267.00	4.57	-37.77
FC(F)(F)C1=CC(SCCC2=NN=N[N-]2)=NC(C2=CC=CC=C2)=N1	REAL300020219545	0	34	-1.0	-38.91	329.41	7.39	-31.52
FC(F)(F)C1=CC(SCCC2=N[N-]N=N2)=NC(C2=CC=CC=C2)=N1	REAL300020219545	1	34	-1.0	-38.89	329.35	7.38	-31.51
CCOC(=O)C1=C2N=C(C)C=C(SCCC3=N[N-]N=N3)N2N=C1	REAL300020219546	0	37	-1.0	-41.66	337.75	5.76	-35.90
CCOC(=O)C1=C2N=C(C)C=C(SCCC3=NN=N[N-]3)N2N=C1	REAL300020219546	1	37	-1.0	-41.70	337.80	5.78	-35.92
FC(F)(F)C1=NC(SCCC2=NN=N[N-]2)=CC=C1Cl	REAL300020219547	0	25	-1.0	-42.34	267.05	4.59	-37.75
FC(F)(F)C1=NC(SCCC2=N[N-]N=N2)=CC=C1Cl	REAL300020219547	1	25	-1.0	-42.34	267.00	4.57	-37.77
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C2=CC=CC(OC(F)(F)F)=C2N=C1	REAL300020219548	0	34	-1.0	-39.60	329.41	5.57	-34.03
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C2=CC=CC(OC(F)(F)F)=C2N=C1	REAL300020219548	1	34	-1.0	-39.56	329.35	5.55	-34.01
COC(=O)C1=CC=C2SC(SCCC3=NN=N[N-]3)=NC2=C1	REAL300020219549	0	31	-1.0	-39.57	305.10	4.85	-34.72
COC(=O)C1=CC=C2SC(SCCC3=N[N-]N=N3)=NC2=C1	REAL300020219549	1	31	-1.0	-39.57	305.04	4.83	-34.74
CCCCC1=NC2=NC=NN2C(SCCC2=N[N-]N=N2)=C1	REAL300020219550	0	36	-1.0	-38.73	317.48	8.79	-29.94
CCCCC1=NC2=NC=NN2C(SCCC2=NN=N[N-]2)=C1	REAL300020219550	1	36	-1.0	-38.73	317.54	8.81	-29.92
O=C1NCCC2=CC(SCCC3=N[N-]N=N3)=C([N+](=O)[O-])C=C12	REAL300020219551	0	33	-1.0	-41.31	299.81	3.72	-37.59
O=C1NCCC2=CC(SCCC3=NN=N[N-]3)=C([N+](=O)[O-])C=C12	REAL300020219551	1	33	-1.0	-41.33	299.86	3.74	-37.59
CC1=CC(C)=CC(N2N=CC3=C(SCCC4=NN=N[N-]4)N=CN=C32)=C1	REAL300020219552	0	40	-1.0	-42.27	358.62	8.73	-33.54
CC1=CC(C)=CC(N2N=CC3=C(SCCC4=N[N-]N=N4)N=CN=C32)=C1	REAL300020219552	1	40	-1.0	-42.28	358.56	8.71	-33.57
FC1=C(Br)C=C2N=C(SCCC3=NN=N[N-]3)SC2=C1	REAL300020219553	0	25	-1.0	-37.35	279.00	5.11	-32.24
FC1=C(Br)C=C2N=C(SCCC3=N[N-]N=N3)SC2=C1	REAL300020219553	1	25	-1.0	-37.38	278.94	5.09	-32.29
O=C1C=C(SCCC2=N[N-]N=N2)NC(=O)N1CC1=CC=CC=C1	REAL300020219554	0	36	-1.0	-38.11	324.18	5.29	-32.82
O=C1C=C(SCCC2=NN=N[N-]2)NC(=O)N1CC1=CC=CC=C1	REAL300020219554	1	36	-1.0	-38.09	324.24	5.30	-32.79
O=[N+]([O-])C1=CC=C(I)C=C1SCCC1=N[N-]N=N1	REAL300020219555	0	25	-1.0	-37.41	268.18	6.37	-31.04
O=[N+]([O-])C1=CC=C(I)C=C1SCCC1=NN=N[N-]1	REAL300020219555	1	25	-1.0	-37.44	268.24	6.38	-31.06
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)N=C2C=C(Cl)C=CN21	REAL300020219556	0	28	-1.0	-42.06	298.02	7.25	-34.81
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)N=C2C=C(Cl)C=CN21	REAL300020219556	1	28	-1.0	-42.04	297.96	7.23	-34.81
COC(=O)C1=CC(Cl)=NN=C1SCCC1=NN=N[N-]1	REAL300020219557	0	27	-1.0	-42.70	277.09	3.03	-39.67
COC(=O)C1=CC(Cl)=NN=C1SCCC1=N[N-]N=N1	REAL300020219557	1	27	-1.0	-42.72	277.03	3.01	-39.71
CC(C)(C)OC(=O)N1CCN(C2=CC(SCCC3=NN=N[N-]3)=NC=N2)CC1	REAL300020219558	0	50	-1.0	-42.51	408.16	6.17	-36.34
CC(C)(C)OC(=O)N1CCN(C2=CC(SCCC3=N[N-]N=N3)=NC=N2)CC1	REAL300020219558	1	50	-1.0	-42.47	408.11	6.16	-36.31
CCOC1=CC=C2N=C(SCCC3=NN=N[N-]3)SC2=C1	REAL300020219559	0	32	-1.0	-40.31	303.40	4.66	-35.65
CCOC1=CC=C2N=C(SCCC3=N[N-]N=N3)SC2=C1	REAL300020219559	1	32	-1.0	-40.29	303.34	4.65	-35.64
COC(=O)C1=CC=C2N=C(SCCC3=NN=N[N-]3)SC2=C1	REAL300020219560	0	31	-1.0	-39.98	306.69	5.10	-34.88
COC(=O)C1=CC=C2N=C(SCCC3=N[N-]N=N3)SC2=C1	REAL300020219560	1	31	-1.0	-40.00	306.63	5.08	-34.92
NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1SCCC1=NN=N[N-]1	REAL300020219561	0	30	-1.0	-45.81	305.74	-0.76	-46.57
NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1SCCC1=N[N-]N=N1	REAL300020219561	1	30	-1.0	-45.84	305.68	-0.77	-46.61
COC(=O)C1=CC2=C(SCCC3=N[N-]N=N3)N=CNC2=N1	REAL300020219562	0	31	-1.0	-47.12	297.20	4.71	-42.41
COC(=O)C1=CC2=C(SCCC3=NN=N[N-]3)N=CNC2=N1	REAL300020219562	1	31	-1.0	-47.08	297.25	4.73	-42.35
FC1=C2N=C(SCCC3=NN=N[N-]3)SC2=CC(Br)=C1	REAL300020219563	0	25	-1.0	-35.80	278.21	4.90	-30.90
FC1=C2N=C(SCCC3=N[N-]N=N3)SC2=CC(Br)=C1	REAL300020219563	1	25	-1.0	-35.82	278.15	4.89	-30.93
FC1=C(Br)C=C2SC(SCCC3=NN=N[N-]3)=NC2=C1	REAL300020219564	0	25	-1.0	-37.68	279.02	5.11	-32.57
FC1=C(Br)C=C2SC(SCCC3=N[N-]N=N3)=NC2=C1	REAL300020219564	1	25	-1.0	-37.68	278.97	5.09	-32.59
N#CC1=CC2=C(CCCC2=O)N=C1SCCC1=N[N-]N=N1	REAL300020219565	0	32	-1.0	-39.45	298.89	5.07	-34.38
N#CC1=CC2=C(CCCC2=O)N=C1SCCC1=NN=N[N-]1	REAL300020219565	1	32	-1.0	-39.44	298.95	5.09	-34.35
CC1=NN(C)C2=NC(SCCC3=N[N-]N=N3)=C(C#N)C=C12	REAL300020219566	0	32	-1.0	-42.77	305.18	5.05	-37.72
CC1=NN(C)C2=NC(SCCC3=NN=N[N-]3)=C(C#N)C=C12	REAL300020219566	1	32	-1.0	-42.74	305.24	5.07	-37.67
COC(=O)C1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2N1C	REAL300020219567	0	34	-1.0	-41.54	314.76	6.21	-35.33
COC(=O)C1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2N1C	REAL300020219567	1	34	-1.0	-41.50	314.70	6.20	-35.30
CC1=CC(C(F)(F)F)=C(C#N)C(SCCC2=N[N-]N=N2)=N1	REAL300020219568	0	29	-1.0	-38.92	291.69	4.93	-33.99
CC1=CC(C(F)(F)F)=C(C#N)C(SCCC2=NN=N[N-]2)=N1	REAL300020219568	1	29	-1.0	-38.93	291.75	4.95	-33.98
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C2=CC=CC(Br)=C2N=C1	REAL300020219569	0	30	-1.0	-40.41	304.05	6.44	-33.97
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C2=CC=CC(Br)=C2N=C1	REAL300020219569	1	30	-1.0	-40.40	304.00	6.43	-33.97
FC(F)(F)C1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2C=C1	REAL300020219570	0	30	-1.0	-38.54	292.40	6.07	-32.47
FC(F)(F)C1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2C=C1	REAL300020219570	1	30	-1.0	-38.57	292.35	6.06	-32.51
BrC1=CC=C2N=C(SCCC3=NN=N[N-]3)SC2=C1	REAL300020219571	0	25	-1.0	-38.02	273.33	5.07	-32.95
BrC1=CC=C2N=C(SCCC3=N[N-]N=N3)SC2=C1	REAL300020219571	1	25	-1.0	-37.98	273.28	5.05	-32.93
COC(=O)C1=C(Br)C2=C(SCCC3=N[N-]N=N3)N=CNC2=N1	REAL300020219572	0	31	-1.0	-47.51	312.47	5.14	-42.37
COC(=O)C1=C(Br)C2=C(SCCC3=NN=N[N-]3)N=CNC2=N1	REAL300020219572	1	31	-1.0	-47.52	312.53	5.15	-42.37
FC(F)(F)C1=CN=C(SCCC2=NN=N[N-]2)C(Br)=C1	REAL300020219573	0	25	-1.0	-36.49	273.30	4.73	-31.76
FC(F)(F)C1=CN=C(SCCC2=N[N-]N=N2)C(Br)=C1	REAL300020219573	1	25	-1.0	-36.46	273.24	4.71	-31.75
CC1=NC(SCCC2=N[N-]N=N2)=C([N+](=O)[O-])C=C1Br	REAL300020219574	0	27	-1.0	-37.68	278.36	4.82	-32.86
CC1=NC(SCCC2=NN=N[N-]2)=C([N+](=O)[O-])C=C1Br	REAL300020219574	1	27	-1.0	-37.69	278.42	4.84	-32.85
O=[N+]([O-])C1=CC=C2N=C(SCCC3=NN=N[N-]3)SC2=C1	REAL300020219575	0	27	-1.0	-37.46	280.23	5.11	-32.35
O=[N+]([O-])C1=CC=C2N=C(SCCC3=N[N-]N=N3)SC2=C1	REAL300020219575	1	27	-1.0	-37.49	280.18	5.10	-32.39
FC(F)C1=NC2=CC=C(Br)C=C2C(SCCC2=N[N-]N=N2)=N1	REAL300020219576	0	30	-1.0	-39.12	309.59	5.78	-33.34
FC(F)C1=NC2=CC=C(Br)C=C2C(SCCC2=NN=N[N-]2)=N1	REAL300020219576	1	30	-1.0	-39.09	309.65	5.79	-33.30
COC(=O)C1=C(C)C2=C(SCCC3=N[N-]N=N3)N=CN=C2S1	REAL300020219577	0	33	-1.0	-39.79	311.06	5.18	-34.61
COC(=O)C1=C(C)C2=C(SCCC3=NN=N[N-]3)N=CN=C2S1	REAL300020219577	1	33	-1.0	-39.78	311.12	5.19	-34.59
BrC1=CC2=CC=CC=C2N=C1SCCC1=NN=N[N-]1	REAL300020219578	0	28	-1.0	-43.56	279.76	5.94	-37.62
BrC1=CC2=CC=CC=C2N=C1SCCC1=N[N-]N=N1	REAL300020219578	1	28	-1.0	-43.58	279.70	5.92	-37.66
IC1=CSC2=NC=NC(SCCC3=NN=N[N-]3)=C12	REAL300020219579	0	24	-1.0	-40.07	266.88	5.11	-34.96
IC1=CSC2=NC=NC(SCCC3=N[N-]N=N3)=C12	REAL300020219579	1	24	-1.0	-40.09	266.82	5.10	-34.99
CC1=C([N+](=O)[O-])C=CC(SCCC2=N[N-]N=N2)=C1I	REAL300020219580	0	28	-1.0	-34.24	282.09	6.80	-27.44
CC1=C([N+](=O)[O-])C=CC(SCCC2=NN=N[N-]2)=C1I	REAL300020219580	1	28	-1.0	-34.30	282.15	6.82	-27.48
CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1SCCC1=N[N-]N=N1	REAL300020219581	0	30	-1.0	-39.63	291.40	6.65	-32.98
CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1SCCC1=NN=N[N-]1	REAL300020219581	1	30	-1.0	-39.60	291.46	6.66	-32.94
FC1=C(Br)C=CC2=C(SCCC3=NN=N[N-]3)N=CN=C12	REAL300020219582	0	27	-1.0	-39.85	280.23	5.75	-34.10
FC1=C(Br)C=CC2=C(SCCC3=N[N-]N=N3)N=CN=C12	REAL300020219582	1	27	-1.0	-39.86	280.17	5.74	-34.12
CC1=CC(C)=C(C(F)(F)F)C(SCCC2=N[N-]N=N2)=N1	REAL300020219583	0	31	-1.0	-41.34	286.86	5.19	-36.15
CC1=CC(C)=C(C(F)(F)F)C(SCCC2=NN=N[N-]2)=N1	REAL300020219583	1	31	-1.0	-41.34	286.92	5.20	-36.14
CCOC(=O)C1=C(Br)SC(SCCC2=NN=N[N-]2)=N1	REAL300020219584	0	28	-1.0	-35.30	299.68	4.01	-31.29
CCOC(=O)C1=C(Br)SC(SCCC2=N[N-]N=N2)=N1	REAL300020219584	1	28	-1.0	-35.30	299.62	4.00	-31.30
CC1=C(SCCC2=N[N-]N=N2)C=CC([N+](=O)[O-])=C1[N+](=O)[O-]	REAL300020219585	0	30	-1.0	-37.53	288.83	7.46	-30.07
CC1=C(SCCC2=NN=N[N-]2)C=CC([N+](=O)[O-])=C1[N+](=O)[O-]	REAL300020219585	1	30	-1.0	-37.56	288.89	7.47	-30.09
IC1=CNC2=NC=NC(SCCC3=N[N-]N=N3)=C12	REAL300020219586	0	25	-1.0	-42.98	264.88	5.03	-37.95
IC1=CNC2=NC=NC(SCCC3=NN=N[N-]3)=C12	REAL300020219586	1	25	-1.0	-42.98	264.93	5.05	-37.93
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C2=CC=CC(OC(F)F)=C2N=C1	REAL300020219587	0	34	-1.0	-42.14	322.67	5.35	-36.79
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C2=CC=CC(OC(F)F)=C2N=C1	REAL300020219587	1	34	-1.0	-42.16	322.61	5.34	-36.82
COC(=O)C1=NC2=C(CCC2)C(SCCC2=N[N-]N=N2)=N1	REAL300020219588	0	34	-1.0	-45.37	311.00	4.87	-40.50
COC(=O)C1=NC2=C(CCC2)C(SCCC2=NN=N[N-]2)=N1	REAL300020219588	1	34	-1.0	-45.38	311.06	4.89	-40.49
O=C1C=C(SCCC2=N[N-]N=N2)NC(=O)N1CC1=CC=C(F)C=C1	REAL300020219589	0	36	-1.0	-37.00	330.63	5.36	-31.64
O=C1C=C(SCCC2=NN=N[N-]2)NC(=O)N1CC1=CC=C(F)C=C1	REAL300020219589	1	36	-1.0	-37.00	330.69	5.37	-31.63
N#CC1=CC([N+](=O)[O-])=C(SCCC2=N[N-]N=N2)C=C1Br	REAL300020219590	0	26	-1.0	-35.25	280.85	6.16	-29.09
N#CC1=CC([N+](=O)[O-])=C(SCCC2=NN=N[N-]2)C=C1Br	REAL300020219590	1	26	-1.0	-35.24	280.91	6.18	-29.06
O=S(=O)(C1=CC=C(SCCC2=N[N-]N=N2)C=C1)C(F)(F)Br	REAL300020219591	0	29	-1.0	-36.54	312.10	3.47	-33.07
O=S(=O)(C1=CC=C(SCCC2=NN=N[N-]2)C=C1)C(F)(F)Br	REAL300020219591	1	29	-1.0	-36.58	312.15	3.48	-33.10
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C2=CC=C(C(F)(F)F)C=C2N=C1	REAL300020219593	0	33	-1.0	-37.87	322.14	6.71	-31.16
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C2=CC=C(C(F)(F)F)C=C2N=C1	REAL300020219593	1	33	-1.0	-37.90	322.09	6.70	-31.20
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)N(C2=CC=CC=C2)N=C1	REAL300020219594	0	32	-1.0	-42.67	299.57	6.28	-36.39
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)N(C2=CC=CC=C2)N=C1	REAL300020219594	1	32	-1.0	-42.66	299.51	6.26	-36.40
NS(=O)(=O)C1=CC=CC(SCCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020219595	0	30	-1.0	-42.30	293.73	1.15	-41.15
NS(=O)(=O)C1=CC=CC(SCCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020219595	1	30	-1.0	-42.32	293.79	1.17	-41.15
COC(=O)C1=C2N=C(SCCC3=NN=N[N-]3)OC2=CC=C1	REAL300020219596	0	31	-1.0	-46.95	296.52	2.62	-44.33
COC(=O)C1=C2N=C(SCCC3=N[N-]N=N3)OC2=CC=C1	REAL300020219596	1	31	-1.0	-46.92	296.46	2.61	-44.31
CC1=C(Br)C=CC(SCCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020219597	0	28	-1.0	-35.71	284.24	6.80	-28.91
CC1=C(Br)C=CC(SCCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020219597	1	28	-1.0	-35.73	284.30	6.82	-28.91
N#CC1=C(F)C=C(Br)C=C1SCCC1=N[N-]N=N1	REAL300020219598	0	24	-1.0	-34.79	263.42	5.69	-29.10
N#CC1=C(F)C=C(Br)C=C1SCCC1=NN=N[N-]1	REAL300020219598	1	24	-1.0	-34.81	263.47	5.70	-29.11
CC1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2C(Br)=C1	REAL300020219599	0	30	-1.0	-41.00	295.38	6.47	-34.53
CC1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2C(Br)=C1	REAL300020219599	1	30	-1.0	-40.98	295.33	6.45	-34.53
COC1=C(F)C=C(F)C(SCCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020219600	0	29	-1.0	-41.04	295.30	5.23	-35.81
COC1=C(F)C=C(F)C(SCCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020219600	1	29	-1.0	-41.04	295.36	5.24	-35.80
C1=CC=C(CCC2=NC=CC(SCCC3=N[N-]N=N3)=N2)C=C1	REAL300020219601	0	37	-1.0	-42.08	333.93	7.38	-34.70
C1=CC=C(CCC2=NC=CC(SCCC3=NN=N[N-]3)=N2)C=C1	REAL300020219601	1	37	-1.0	-42.05	333.98	7.40	-34.65
C1=CC=C(OC2=CC(SCCC3=NN=N[N-]3)=NC=N2)C=C1	REAL300020219602	0	32	-1.0	-39.57	301.15	5.11	-34.46
C1=CC=C(OC2=CC(SCCC3=N[N-]N=N3)=NC=N2)C=C1	REAL300020219602	1	32	-1.0	-39.57	301.09	5.09	-34.48
N#CC1=CC=C(SCCC2=NN=N[N-]2)N=C1C(F)(F)F	REAL300020219603	0	26	-1.0	-44.20	271.23	4.40	-39.80
N#CC1=CC=C(SCCC2=N[N-]N=N2)N=C1C(F)(F)F	REAL300020219603	1	26	-1.0	-44.21	271.17	4.38	-39.83
NS(=O)(=O)C1=CC(F)=C(Cl)C=C1SCCC1=N[N-]N=N1	REAL300020219604	0	28	-1.0	-38.81	289.36	0.33	-38.48
NS(=O)(=O)C1=CC(F)=C(Cl)C=C1SCCC1=NN=N[N-]1	REAL300020219604	1	28	-1.0	-38.85	289.42	0.34	-38.51
FC(F)(F)C1=CC(Cl)=CN=C1SCCC1=NN=N[N-]1	REAL300020219605	0	25	-1.0	-36.63	266.60	4.56	-32.07
FC(F)(F)C1=CC(Cl)=CN=C1SCCC1=N[N-]N=N1	REAL300020219605	1	25	-1.0	-36.60	266.54	4.54	-32.06
CC(=O)C1=CC=C(SCCC2=N[N-]N=N2)N=C1C(F)(F)F	REAL300020219606	0	30	-1.0	-52.09	288.83	4.84	-47.25
CC(=O)C1=CC=C(SCCC2=NN=N[N-]2)N=C1C(F)(F)F	REAL300020219606	1	30	-1.0	-52.08	288.88	4.86	-47.22
BrC1=CC=CC2=NC=NC(SCCC3=NN=N[N-]3)=C12	REAL300020219607	0	27	-1.0	-44.48	267.06	5.45	-39.03
BrC1=CC=CC2=NC=NC(SCCC3=N[N-]N=N3)=C12	REAL300020219607	1	27	-1.0	-44.47	267.00	5.43	-39.04
COC1=CC2=CC(C#N)=C(SCCC3=NN=N[N-]3)N=C2C=C1	REAL300020219608	0	33	-1.0	-42.07	309.49	4.98	-37.09
COC1=CC2=CC(C#N)=C(SCCC3=N[N-]N=N3)N=C2C=C1	REAL300020219608	1	33	-1.0	-42.04	309.43	4.97	-37.07
CC1CCC2=CC(C#N)=C(SCCC3=N[N-]N=N3)N=C2C1	REAL300020219609	0	36	-1.0	-41.37	317.59	6.59	-34.78
CC1CCC2=CC(C#N)=C(SCCC3=NN=N[N-]3)N=C2C1	REAL300020219609	1	36	-1.0	-41.37	317.65	6.61	-34.76
CC1=C(C)N(CC2=CC=CC=C2)C2=NC=NC(SCCC3=N[N-]N=N3)=C12	REAL300020219610	0	44	-1.0	-46.16	374.91	10.36	-35.80
CC1=C(C)N(CC2=CC=CC=C2)C2=NC=NC(SCCC3=NN=N[N-]3)=C12	REAL300020219610	1	44	-1.0	-46.16	374.96	10.37	-35.79
IC1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2N1	REAL300020219611	0	25	-1.0	-38.97	268.82	5.00	-33.97
IC1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2N1	REAL300020219611	1	25	-1.0	-38.97	268.88	5.01	-33.96
BrC1=CN=C2SC(SCCC3=NN=N[N-]3)=NC2=C1	REAL300020219612	0	24	-1.0	-36.96	266.59	2.93	-34.03
BrC1=CN=C2SC(SCCC3=N[N-]N=N3)=NC2=C1	REAL300020219612	1	24	-1.0	-36.96	266.53	2.91	-34.05
CCOC(=O)C1=CN=C(C(C)C)N=C1SCCC1=N[N-]N=N1	REAL300020219613	0	39	-1.0	-41.35	345.20	5.66	-35.69
CCOC(=O)C1=CN=C(C(C)C)N=C1SCCC1=NN=N[N-]1	REAL300020219613	1	39	-1.0	-41.30	345.25	5.67	-35.63
O=[N+]([O-])C1=CC(Br)=C(Cl)C=C1SCCC1=N[N-]N=N1	REAL300020219614	0	25	-1.0	-34.43	276.50	6.36	-28.07
O=[N+]([O-])C1=CC(Br)=C(Cl)C=C1SCCC1=NN=N[N-]1	REAL300020219614	1	25	-1.0	-34.46	276.55	6.37	-28.09
O=[N+]([O-])C1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2C=C1Br	REAL300020219615	0	29	-1.0	-36.74	297.55	6.21	-30.53
O=[N+]([O-])C1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2C=C1Br	REAL300020219615	1	29	-1.0	-36.73	297.50	6.20	-30.53
O=S(=O)(C1=CC=CC=C1SCCC1=N[N-]N=N1)C(F)(F)Cl	REAL300020219616	0	29	-1.0	-38.40	295.67	3.14	-35.26
O=S(=O)(C1=CC=CC=C1SCCC1=NN=N[N-]1)C(F)(F)Cl	REAL300020219616	1	29	-1.0	-38.38	295.72	3.16	-35.22
CCN(CC)S(=O)(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219617	0	47	-1.0	-51.62	394.03	4.43	-47.19
CCN(CC)S(=O)(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219617	1	47	-1.0	-51.63	394.09	4.45	-47.18
FC(F)(F)C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020219618	0	30	-1.0	-38.92	277.71	3.86	-35.06
FC(F)(F)C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020219618	1	30	-1.0	-38.91	277.64	3.84	-35.07
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219619	0	32	-1.0	-47.85	285.51	5.39	-42.46
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219619	1	32	-1.0	-47.87	285.57	5.40	-42.47
CS(=O)(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219620	0	36	-1.0	-55.74	317.98	2.25	-53.49
CS(=O)(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219620	1	36	-1.0	-55.74	318.04	2.27	-53.47
CC(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219621	0	35	-1.0	-50.15	300.64	5.41	-44.74
CC(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219621	1	35	-1.0	-50.16	300.72	5.41	-44.75
NS(=O)(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219622	0	35	-1.0	-53.67	311.52	-0.33	-54.00
NS(=O)(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219622	1	35	-1.0	-53.64	311.58	-0.31	-53.95
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219623	0	33	-1.0	-42.51	297.03	5.90	-36.61
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219623	1	33	-1.0	-42.50	297.10	5.90	-36.60
O=C(C1=CC=CC=C1)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219624	0	42	-1.0	-48.43	353.77	7.97	-40.46
O=C(C1=CC=CC=C1)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219624	1	42	-1.0	-48.46	353.83	7.99	-40.47
CC1=C(C)C2=C(N3CCC(C4=NN=N[N-]4)C3)N=C(C3=CC=CN=C3)N=C2S1	REAL300020219625	0	44	-1.0	-47.17	372.87	7.23	-39.94
CC1=C(C)C2=C(N3CCC(C4=N[N-]N=N4)C3)N=C(C3=CC=CN=C3)N=C2S1	REAL300020219625	1	44	-1.0	-47.19	372.79	7.21	-39.98
CNS(=O)(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219626	0	38	-1.0	-53.01	333.89	0.89	-52.12
CNS(=O)(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219626	1	38	-1.0	-53.01	333.95	0.90	-52.11
COC(=O)C1=C(C)C2=C(N3CCC(C4=N[N-]N=N4)C3)N=C(C)N=C2S1	REAL300020219627	0	41	-1.0	-40.05	350.08	5.79	-34.26
COC(=O)C1=C(C)C2=C(N3CCC(C4=NN=N[N-]4)C3)N=C(C)N=C2S1	REAL300020219627	1	41	-1.0	-40.02	350.15	5.79	-34.23
C1=CN=CC(C2=NC(N3CCC(C4=NN=N[N-]4)C3)=C3C4=C(CCC4)SC3=N2)=C1	REAL300020219628	0	45	-1.0	-46.62	381.17	6.84	-39.78
C1=CN=CC(C2=NC(N3CCC(C4=N[N-]N=N4)C3)=C3C4=C(CCC4)SC3=N2)=C1	REAL300020219628	1	45	-1.0	-46.61	381.10	6.83	-39.78
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300020219629	0	42	-1.0	-39.91	356.46	8.21	-31.70
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300020219629	1	42	-1.0	-39.91	356.39	8.21	-31.70
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2C(C3=CC=CS3)=CSC2=N1	REAL300020219630	0	39	-1.0	-41.76	347.50	7.48	-34.28
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2C(C3=CC=CS3)=CSC2=N1	REAL300020219630	1	39	-1.0	-41.76	347.43	7.47	-34.29
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C(S(=O)(=O)N2CCCC2)=C1	REAL300020219631	0	45	-1.0	-42.08	374.45	3.77	-38.31
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C(S(=O)(=O)N2CCCC2)=C1	REAL300020219631	1	45	-1.0	-42.12	374.52	3.79	-38.33
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2C3=C(CCC3)SC2=N1	REAL300020219632	0	39	-1.0	-42.09	328.50	5.31	-36.78
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2C3=C(CCC3)SC2=N1	REAL300020219632	1	39	-1.0	-42.11	328.57	5.32	-36.79
C1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2C3=C(CCCC3)SC2=N1	REAL300020219633	0	39	-1.0	-40.46	320.13	6.94	-33.52
C1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2C3=C(CCCC3)SC2=N1	REAL300020219633	1	39	-1.0	-40.50	320.20	6.95	-33.55
C1=C(C2=CC=CC=C2)C2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020219634	0	39	-1.0	-41.00	335.50	8.39	-32.61
C1=C(C2=CC=CC=C2)C2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020219634	1	39	-1.0	-41.01	335.41	8.38	-32.63
CC1=C(C)C2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020219635	0	35	-1.0	-41.59	297.08	5.69	-35.90
CC1=C(C)C2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020219635	1	35	-1.0	-41.57	297.00	5.68	-35.89
C1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2C3=C(CCC3)SC2=N1	REAL300020219636	0	36	-1.0	-42.82	296.32	5.21	-37.61
C1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2C3=C(CCC3)SC2=N1	REAL300020219636	1	36	-1.0	-42.84	296.25	5.19	-37.65
CC1CCC2=C(C1)SC1=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C21	REAL300020219637	0	42	-1.0	-41.44	340.85	7.57	-33.87
CC1CCC2=C(C1)SC1=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C21	REAL300020219637	1	42	-1.0	-41.46	340.92	7.59	-33.87
C1=C(C2=CC=CC=C2)SC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020219638	0	39	-1.0	-41.15	338.00	7.11	-34.04
C1=C(C2=CC=CC=C2)SC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020219638	1	39	-1.0	-41.11	337.93	7.08	-34.03
CC1=CC=C(C2=CSC3=NC=NC(N4CCC(C5=NN=N[N-]5)C4)=C23)C=C1	REAL300020219639	0	42	-1.0	-41.07	356.90	9.06	-32.01
CC1=CC=C(C2=CSC3=NC=NC(N4CCC(C5=N[N-]N=N5)C4)=C23)C=C1	REAL300020219639	1	42	-1.0	-41.07	356.81	9.05	-32.02
COC1=CC=C(C2=CSC3=NC=NC(N4CCC(C5=NN=N[N-]5)C4)=C23)C=C1	REAL300020219640	0	43	-1.0	-41.30	364.73	7.70	-33.60
COC1=CC=C(C2=CSC3=NC=NC(N4CCC(C5=N[N-]N=N5)C4)=C23)C=C1	REAL300020219640	1	43	-1.0	-41.26	364.65	7.69	-33.57
O=[N+]([O-])C1=CC(S(=O)(=O)C(F)(F)F)=CC=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219641	0	36	-1.0	-50.70	337.75	2.85	-47.85
O=[N+]([O-])C1=CC(S(=O)(=O)C(F)(F)F)=CC=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219641	1	36	-1.0	-50.75	337.81	2.87	-47.88
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300020219642	0	42	-1.0	-42.48	355.04	6.89	-35.59
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300020219642	1	42	-1.0	-42.46	354.97	6.89	-35.57
C1=CSC(C2=NC3=CC=CC=C3C(N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020219643	0	39	-1.0	-46.44	340.28	6.69	-39.75
C1=CSC(C2=NC3=CC=CC=C3C(N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020219643	1	39	-1.0	-46.45	340.21	6.69	-39.76
C1=CC=C(C2=NC3=CC=CC=C3C(N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020219644	0	42	-1.0	-45.19	348.49	7.89	-37.30
C1=CC=C(C2=NC3=CC=CC=C3C(N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020219644	1	42	-1.0	-45.19	348.42	7.89	-37.30
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC=NC=C21	REAL300020219645	0	35	-1.0	-37.17	291.41	3.99	-33.18
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC=NC=C21	REAL300020219645	1	35	-1.0	-37.17	291.34	3.98	-33.19
C1=CC=C2C(=C1)N=C(C1=CC=CN=C1)N=C2N1CCC(C2=NN=N[N-]2)C1	REAL300020219646	0	41	-1.0	-50.40	337.48	5.87	-44.53
C1=CC=C2C(=C1)N=C(C1=CC=CN=C1)N=C2N1CCC(C2=N[N-]N=N2)C1	REAL300020219646	1	41	-1.0	-50.36	337.41	5.86	-44.50
CCOC(=O)C1=C(C)C2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020219647	0	41	-1.0	-39.82	350.13	6.82	-33.00
CCOC(=O)C1=C(C)C2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020219647	1	41	-1.0	-39.88	350.20	6.83	-33.05
O=[N+]([O-])C1=CC(C(F)(F)F)=C(Cl)C=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219648	0	33	-1.0	-34.78	310.44	6.35	-28.43
O=[N+]([O-])C1=CC(C(F)(F)F)=C(Cl)C=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219648	1	33	-1.0	-34.79	310.52	6.37	-28.42
ClC1=CC=C(C2=CC3=NC=NC(N4CCC(C5=NN=N[N-]5)C4)=C3S2)C=C1	REAL300020219649	0	39	-1.0	-41.48	351.00	7.62	-33.86
ClC1=CC=C(C2=CC3=NC=NC(N4CCC(C5=N[N-]N=N5)C4)=C3S2)C=C1	REAL300020219649	1	39	-1.0	-41.48	350.93	7.61	-33.87
C1=NN2C(=N1)N=C(C1=CC=CC=C1)C=C2N1CCC(C2=NN=N[N-]2)C1	REAL300020219650	0	39	-1.0	-39.82	325.60	10.04	-29.78
C1=NN2C(=N1)N=C(C1=CC=CC=C1)C=C2N1CCC(C2=N[N-]N=N2)C1	REAL300020219650	1	39	-1.0	-39.81	325.53	10.04	-29.77
FC(F)(F)C1=NC2=CC=CC=C2C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219651	0	35	-1.0	-43.67	309.83	4.99	-38.68
FC(F)(F)C1=NC2=CC=CC=C2C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219651	1	35	-1.0	-43.62	309.76	4.99	-38.63
CC1=C(C#N)C2=NC3=CC=CC=C3N2C(N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020219652	0	41	-1.0	-44.82	340.83	8.77	-36.05
CC1=C(C#N)C2=NC3=CC=CC=C3N2C(N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020219652	1	41	-1.0	-44.86	340.76	8.76	-36.10
FC(F)(F)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)N=C1Cl	REAL300020219653	0	30	-1.0	-35.11	278.57	3.10	-32.01
FC(F)(F)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)N=C1Cl	REAL300020219653	1	30	-1.0	-35.09	278.50	3.09	-32.00
C1=CC=C(C2=NC(N3CCC(C4=NN=N[N-]4)C3)=NC3=CC=CC=C32)C=C1	REAL300020219654	0	42	-1.0	-47.52	343.32	8.05	-39.47
C1=CC=C(C2=NC(N3CCC(C4=N[N-]N=N4)C3)=NC3=CC=CC=C32)C=C1	REAL300020219654	1	42	-1.0	-47.47	343.25	8.04	-39.43
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)N=C2C=CC=CN21	REAL300020219655	0	33	-1.0	-47.11	288.81	6.09	-41.02
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)N=C2C=CC=CN21	REAL300020219655	1	33	-1.0	-47.10	288.74	6.06	-41.04
CC1=NN2C(=C1)N=C(N1CCC(C3=NN=N[N-]3)C1)C1=CC=CC=C12	REAL300020219656	0	39	-1.0	-41.75	318.46	6.76	-34.99
CC1=NN2C(=C1)N=C(N1CCC(C3=N[N-]N=N3)C1)C1=CC=CC=C12	REAL300020219656	1	39	-1.0	-41.75	318.39	6.76	-34.99
COC1=CC=C(C2=CC3=NC=NC(N4CCC(C5=NN=N[N-]5)C4)=C3S2)C=C1	REAL300020219657	0	43	-1.0	-43.15	363.71	6.41	-36.74
COC1=CC=C(C2=CC3=NC=NC(N4CCC(C5=N[N-]N=N5)C4)=C3S2)C=C1	REAL300020219657	1	43	-1.0	-43.15	363.64	6.39	-36.76
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)N=C2SC=CN21	REAL300020219658	0	30	-1.0	-45.44	279.32	5.34	-40.10
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)N=C2SC=CN21	REAL300020219658	1	30	-1.0	-45.40	279.24	5.32	-40.08
CN1C(=O)C(C#N)=C(N2CCC(C3=N[N-]N=N3)C2)N(C)C1=O	REAL300020219659	0	35	-1.0	-47.50	303.27	4.75	-42.75
CN1C(=O)C(C#N)=C(N2CCC(C3=NN=N[N-]3)C2)N(C)C1=O	REAL300020219659	1	35	-1.0	-47.54	303.34	4.76	-42.78
CCOC(=O)C1=C(C)C2=C(N3CCC(C4=N[N-]N=N4)C3)N=C(C)N=C2S1	REAL300020219660	0	44	-1.0	-39.84	371.93	6.71	-33.13
CCOC(=O)C1=C(C)C2=C(N3CCC(C4=NN=N[N-]4)C3)N=C(C)N=C2S1	REAL300020219660	1	44	-1.0	-39.82	372.01	6.72	-33.10
CN(C)C1=CC(C(F)(F)F)=NC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219661	0	37	-1.0	-43.95	316.59	5.01	-38.94
CN(C)C1=CC(C(F)(F)F)=NC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219661	1	37	-1.0	-43.93	316.53	5.00	-38.93
C1=NN(C2=CC=CC=C2)C2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020219662	0	39	-1.0	-43.84	326.94	6.42	-37.42
C1=NN(C2=CC=CC=C2)C2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020219662	1	39	-1.0	-43.80	326.87	6.42	-37.38
FC(F)(F)C1=NN=C2C=CC(N3CCC(C4=NN=N[N-]4)C3)=NN21	REAL300020219663	0	32	-1.0	-47.94	292.97	4.93	-43.01
FC(F)(F)C1=NN=C2C=CC(N3CCC(C4=N[N-]N=N4)C3)=NN21	REAL300020219663	1	32	-1.0	-47.94	292.90	4.93	-43.01
CC1=CC(=O)N2N=C(N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020219664	0	32	-1.0	-41.42	292.31	3.60	-37.82
CC1=CC(=O)N2N=C(N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020219664	1	32	-1.0	-41.47	292.38	3.62	-37.85
C1=CC2=NC(C3=CC=NC=C3)=NC(N3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020219665	0	41	-1.0	-44.90	343.75	6.05	-38.85
C1=CC2=NC(C3=CC=NC=C3)=NC(N3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020219665	1	41	-1.0	-44.87	343.68	6.04	-38.83
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020219666	0	35	-1.0	-42.26	298.54	4.25	-38.01
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C2=NC=CC=C12	REAL300020219666	1	35	-1.0	-42.18	298.47	4.24	-37.94
CCC1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020219667	0	35	-1.0	-40.39	304.08	5.02	-35.37
CCC1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020219667	1	35	-1.0	-40.38	304.01	5.00	-35.38
C1=C(C2=CC=CC=C2)N=C2SC(N3CCC(C4=NN=N[N-]4)C3)=NN12	REAL300020219668	0	37	-1.0	-40.74	329.56	7.24	-33.50
C1=C(C2=CC=CC=C2)N=C2SC(N3CCC(C4=N[N-]N=N4)C3)=NN12	REAL300020219668	1	37	-1.0	-40.72	329.49	7.24	-33.48
O=S(=O)(C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C=C1)C(F)(F)F	REAL300020219669	0	34	-1.0	-39.89	308.28	1.04	-38.85
O=S(=O)(C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)(F)F	REAL300020219669	1	34	-1.0	-39.91	308.36	1.04	-38.87
O=S(=O)(C1=CC=CC=C1N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020219670	0	34	-1.0	-39.66	300.62	2.61	-37.05
O=S(=O)(C1=CC=CC=C1N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020219670	1	34	-1.0	-39.68	300.69	2.62	-37.06
CC1=NC2=NC(C(F)(F)F)=NN2C(N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020219671	0	35	-1.0	-38.65	311.46	7.19	-31.46
CC1=NC2=NC(C(F)(F)F)=NN2C(N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020219671	1	35	-1.0	-38.70	311.54	7.21	-31.49
NC(=O)C1=CC([N+](=O)[O-])=CN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219672	0	33	-1.0	-43.99	289.69	0.81	-43.18
NC(=O)C1=CC([N+](=O)[O-])=CN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219672	1	33	-1.0	-44.01	289.62	0.81	-43.20
CS(=O)(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219673	0	36	-1.0	-55.74	317.98	2.25	-53.49
CS(=O)(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219673	1	36	-1.0	-55.74	318.04	2.27	-53.47
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219674	0	33	-1.0	-42.51	297.03	5.90	-36.61
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219674	1	33	-1.0	-42.50	297.10	5.90	-36.60
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C=CC2=NC=CC=C21	REAL300020219675	0	35	-1.0	-45.87	302.82	4.51	-41.36
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C=CC2=NC=CC=C21	REAL300020219675	1	35	-1.0	-45.90	302.75	4.51	-41.39
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2C(CC(C)C)=CSC2=N1	REAL300020219676	0	44	-1.0	-40.67	357.25	6.99	-33.68
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2C(CC(C)C)=CSC2=N1	REAL300020219676	1	44	-1.0	-40.70	357.31	7.00	-33.70
CN1C(=O)C([N+](=O)[O-])=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020219677	0	39	-1.0	-50.47	324.28	7.90	-42.57
CN1C(=O)C([N+](=O)[O-])=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020219677	1	39	-1.0	-50.45	324.21	7.90	-42.55
O=C1CCC2=CC([N+](=O)[O-])=C(N3CCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020219678	0	38	-1.0	-47.67	318.12	4.09	-43.58
O=C1CCC2=CC([N+](=O)[O-])=C(N3CCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020219678	1	38	-1.0	-47.64	318.19	4.10	-43.54
O=S(=O)(C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C=C1)C(F)F	REAL300020219679	0	34	-1.0	-43.27	301.70	0.84	-42.43
O=S(=O)(C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)F	REAL300020219679	1	34	-1.0	-43.29	301.77	0.84	-42.45
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2C=NN(C3=CC=CC=C3)C2=N1	REAL300020219680	0	42	-1.0	-43.55	347.55	6.53	-37.02
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2C=NN(C3=CC=CC=C3)C2=N1	REAL300020219680	1	42	-1.0	-43.54	347.47	6.53	-37.01
FC(F)(F)C1=NC2=NC=NN2C(N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020219681	0	32	-1.0	-36.64	289.44	7.49	-29.15
FC(F)(F)C1=NC2=NC=NN2C(N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020219681	1	32	-1.0	-36.65	289.37	7.48	-29.17
COC(=O)C1=C(Cl)N=C(N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020219682	0	30	-1.0	-37.50	286.95	2.15	-35.35
COC(=O)C1=C(Cl)N=C(N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020219682	1	30	-1.0	-37.47	286.87	2.13	-35.34
CS(=O)(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C(S(C)(=O)=O)=C1	REAL300020219683	0	40	-1.0	-49.28	347.63	-0.84	-50.12
CS(=O)(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C(S(C)(=O)=O)=C1	REAL300020219683	1	40	-1.0	-49.28	347.70	-0.83	-50.11
CCC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300020219684	0	44	-1.0	-37.56	371.53	6.94	-30.62
CCC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300020219684	1	44	-1.0	-37.58	371.60	6.94	-30.64
CC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C2=CC=CN=C2)=N1	REAL300020219685	0	38	-1.0	-48.51	318.08	4.38	-44.13
CC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=CN=C2)=N1	REAL300020219685	1	38	-1.0	-48.51	318.15	4.40	-44.11
C1=CC=C(C2=NN=C3C=CC(N4CCC(C5=NN=N[N-]5)C4)=NN32)C=C1	REAL300020219686	0	39	-1.0	-49.11	329.77	7.71	-41.40
C1=CC=C(C2=NN=C3C=CC(N4CCC(C5=N[N-]N=N5)C4)=NN32)C=C1	REAL300020219686	1	39	-1.0	-49.13	329.70	7.70	-41.43
CNC(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219687	0	37	-1.0	-50.80	314.56	3.19	-47.61
CNC(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219687	1	37	-1.0	-50.85	314.64	3.20	-47.65
FC1=CC=CC=C1C1=NN=C2C=CC(N3CCC(C4=N[N-]N=N4)C3)=NN21	REAL300020219688	0	39	-1.0	-50.12	333.54	7.88	-42.24
FC1=CC=CC=C1C1=NN=C2C=CC(N3CCC(C4=NN=N[N-]4)C3)=NN21	REAL300020219688	1	39	-1.0	-50.09	333.61	7.88	-42.21
CSC1=NC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C2S1	REAL300020219689	0	32	-1.0	-38.80	289.66	2.97	-35.83
CSC1=NC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C2S1	REAL300020219689	1	32	-1.0	-38.78	289.59	2.94	-35.84
CN1C=CN=C1C(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219690	0	42	-1.0	-52.24	353.32	7.30	-44.94
CN1C=CN=C1C(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219690	1	42	-1.0	-52.27	353.38	7.31	-44.96
COCC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300020219691	0	46	-1.0	-41.03	390.10	7.19	-33.84
COCC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300020219691	1	46	-1.0	-41.04	390.02	7.19	-33.85
C1CC1C1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2C3=C(CCCC3)SC2=N1	REAL300020219692	0	46	-1.0	-43.09	373.58	8.50	-34.59
C1CC1C1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2C3=C(CCCC3)SC2=N1	REAL300020219692	1	46	-1.0	-43.06	373.65	8.51	-34.55
C1=C(C2=CC=CC=C2)C2=C(N3CCC(C4=NN=N[N-]4)C3)N=C(C3CC3)N=C2S1	REAL300020219693	0	46	-1.0	-42.34	387.41	10.04	-32.30
C1=C(C2=CC=CC=C2)C2=C(N3CCC(C4=N[N-]N=N4)C3)N=C(C3CC3)N=C2S1	REAL300020219693	1	46	-1.0	-42.34	387.33	10.04	-32.30
O=S(=O)(C1=CC(F)=CC=C1N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020219694	0	34	-1.0	-42.01	316.10	2.95	-39.06
O=S(=O)(C1=CC(F)=CC=C1N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020219694	1	34	-1.0	-42.08	316.18	2.96	-39.12
CN1N=C(Br)C2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C21	REAL300020219695	0	32	-1.0	-39.67	293.22	3.85	-35.82
CN1N=C(Br)C2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C21	REAL300020219695	1	32	-1.0	-39.66	293.15	3.83	-35.83
FC(F)(F)C1=CC(C2=CC=CO2)=NN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219696	0	36	-1.0	-41.40	323.66	4.31	-37.09
FC(F)(F)C1=CC(C2=CC=CO2)=NN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219696	1	36	-1.0	-41.43	323.73	4.31	-37.12
FC(F)(F)C1=CC(C2=CC=CC=C2)=NN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219697	0	39	-1.0	-42.17	338.78	6.11	-36.06
FC(F)(F)C1=CC(C2=CC=CC=C2)=NN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219697	1	39	-1.0	-42.19	338.85	6.12	-36.07
CC(C)C1=CC(C(F)(F)F)=C(N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020219698	0	38	-1.0	-40.96	322.05	4.36	-36.60
CC(C)C1=CC(C(F)(F)F)=C(N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020219698	1	38	-1.0	-41.02	322.12	4.37	-36.65
O=[N+]([O-])C1=CC(Br)=CC=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219699	0	30	-1.0	-42.48	279.61	5.53	-36.95
O=[N+]([O-])C1=CC(Br)=CC=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219699	1	30	-1.0	-42.46	279.68	5.54	-36.92
O=[N+]([O-])C1=CC=C2N=C(N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020219700	0	32	-1.0	-39.50	293.18	4.47	-35.03
O=[N+]([O-])C1=CC=C2N=C(N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020219700	1	32	-1.0	-39.46	293.10	4.46	-35.00
CC1=CC=C(NC(=O)C2=CC=C(N3CCC(C4=N[N-]N=N4)C3)C([N+](=O)[O-])=C2)C=C1	REAL300020219701	0	47	-1.0	-50.72	391.28	7.60	-43.12
CC1=CC=C(NC(=O)C2=CC=C(N3CCC(C4=NN=N[N-]4)C3)C([N+](=O)[O-])=C2)C=C1	REAL300020219701	1	47	-1.0	-50.78	391.35	7.60	-43.18
CC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=CC=N2)=N1	REAL300020219702	0	38	-1.0	-52.10	319.02	4.32	-47.78
CC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C2=CC=CC=N2)=N1	REAL300020219702	1	38	-1.0	-52.08	318.94	4.31	-47.77
C1CC2=C(C1)C1=C(N3CCC(C4=N[N-]N=N4)C3)N=C(C3CCCCC3)N=C1S2	REAL300020219703	0	52	-1.0	-41.01	411.29	8.50	-32.51
C1CC2=C(C1)C1=C(N3CCC(C4=NN=N[N-]4)C3)N=C(C3CCCCC3)N=C1S2	REAL300020219703	1	52	-1.0	-41.01	411.36	8.51	-32.50
C1=CN=CC(C2=NC3=C(CCC3)C(N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020219704	0	42	-1.0	-49.46	340.17	5.27	-44.19
C1=CN=CC(C2=NC3=C(CCC3)C(N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020219704	1	42	-1.0	-49.44	340.24	5.29	-44.15
FC(F)C1=NC2=CC=CC=C2C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219705	0	35	-1.0	-45.09	303.23	4.91	-40.18
FC(F)C1=NC2=CC=CC=C2C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219705	1	35	-1.0	-45.11	303.15	4.91	-40.20
CCC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C2=CC=NC=C2)=N1	REAL300020219706	0	41	-1.0	-43.59	339.48	5.07	-38.52
CCC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=NC=C2)=N1	REAL300020219706	1	41	-1.0	-43.61	339.54	5.08	-38.53
FC(F)(F)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=CN=C2)=N1	REAL300020219707	0	38	-1.0	-43.51	337.12	4.87	-38.64
FC(F)(F)C1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C2=CC=CN=C2)=N1	REAL300020219707	1	38	-1.0	-43.46	337.04	4.86	-38.60
O=C(NC1=CC=CC=C1)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020219708	0	40	-1.0	-38.97	337.24	2.81	-36.16
O=C(NC1=CC=CC=C1)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020219708	1	40	-1.0	-38.95	337.16	2.78	-36.17
C1=CC=C(C2=NC3=C(CCC3)C(N3CCC(C4=N[N-]N=N4)C3)=N2)N=C1	REAL300020219709	0	42	-1.0	-51.33	338.16	5.26	-46.07
C1=CC=C(C2=NC3=C(CCC3)C(N3CCC(C4=NN=N[N-]4)C3)=N2)N=C1	REAL300020219709	1	42	-1.0	-51.37	338.22	5.27	-46.10
CC1=NC(C2=CC=NC=C2)=NC(N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020219710	0	41	-1.0	-43.07	335.94	5.22	-37.85
CC1=NC(C2=CC=NC=C2)=NC(N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020219710	1	41	-1.0	-43.06	336.01	5.23	-37.83
O=[N+]([O-])C1=CC(S(=O)(=O)C(F)F)=CC=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219711	0	36	-1.0	-53.80	331.17	2.65	-51.15
O=[N+]([O-])C1=CC(S(=O)(=O)C(F)F)=CC=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219711	1	36	-1.0	-53.79	331.23	2.67	-51.12
CCNS(=O)(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020219712	0	38	-1.0	-46.02	325.85	-0.65	-46.67
CCNS(=O)(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020219712	1	38	-1.0	-46.01	325.78	-0.65	-46.66
FC1=CC2=NC=C(N3CCC(C4=NN=N[N-]4)C3)N=C2C=C1F	REAL300020219713	0	32	-1.0	-40.99	281.01	2.82	-38.17
FC1=CC2=NC=C(N3CCC(C4=N[N-]N=N4)C3)N=C2C=C1F	REAL300020219713	1	32	-1.0	-40.98	280.93	2.80	-38.18
N#CC1=CC=C(C(F)(F)F)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219714	0	31	-1.0	-43.59	282.81	3.80	-39.79
N#CC1=CC=C(C(F)(F)F)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219714	1	31	-1.0	-43.53	282.74	3.78	-39.75
O=C1NC(N2CCC(C3=NN=N[N-]3)C2)=NC2=C1C=NN2C1=CC=CC=C1	REAL300020219715	0	40	-1.0	-42.38	341.77	7.25	-35.13
O=C1NC(N2CCC(C3=N[N-]N=N3)C2)=NC2=C1C=NN2C1=CC=CC=C1	REAL300020219715	1	40	-1.0	-42.35	341.70	7.25	-35.10
N#CC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC2=CC=C([N+](=O)[O-])C=C12	REAL300020219716	0	36	-1.0	-40.23	322.00	5.51	-34.72
N#CC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC2=CC=C([N+](=O)[O-])C=C12	REAL300020219716	1	36	-1.0	-40.17	321.93	5.50	-34.67
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300020219717	0	34	-1.0	-41.97	296.90	4.06	-37.91
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300020219717	1	34	-1.0	-41.98	296.97	4.07	-37.91
FC(F)(F)C1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C2=CC=NC=C2)=N1	REAL300020219718	0	38	-1.0	-36.58	336.64	4.17	-32.41
FC(F)(F)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=NC=C2)=N1	REAL300020219718	1	38	-1.0	-36.55	336.71	4.17	-32.38
C1=C(C2=CC=CN=C2)N=C2SC(N3CCC(C4=NN=N[N-]4)C3)=NN12	REAL300020219719	0	36	-1.0	-38.85	324.78	5.46	-33.39
C1=C(C2=CC=CN=C2)N=C2SC(N3CCC(C4=N[N-]N=N4)C3)=NN12	REAL300020219719	1	36	-1.0	-38.83	324.71	5.45	-33.38
IC1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2C=C1	REAL300020219720	0	32	-1.0	-38.70	296.85	5.70	-33.00
IC1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2C=C1	REAL300020219720	1	32	-1.0	-38.71	296.78	5.70	-33.01
FC1=CC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C2C=C1F	REAL300020219721	0	32	-1.0	-38.57	275.84	4.50	-34.07
FC1=CC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C2C=C1F	REAL300020219721	1	32	-1.0	-38.55	275.77	4.49	-34.06
CCOC(=O)C1=CC=NC(N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020219722	0	38	-1.0	-44.92	326.33	5.27	-39.65
CCOC(=O)C1=CC=NC(N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020219722	1	38	-1.0	-44.90	326.26	5.26	-39.64
CC1=NC(C2=CC=CN=C2)=NC(N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020219723	0	41	-1.0	-47.14	329.18	5.05	-42.09
CC1=NC(C2=CC=CN=C2)=NC(N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020219723	1	41	-1.0	-47.17	329.25	5.05	-42.12
COC1=CC(F)=C([N+](=O)[O-])C(N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020219724	0	34	-1.0	-40.05	298.82	3.44	-36.61
COC1=CC(F)=C([N+](=O)[O-])C(N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020219724	1	34	-1.0	-40.09	298.90	3.45	-36.64
O=[N+]([O-])C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2C=C1	REAL300020219725	0	34	-1.0	-39.75	291.21	5.03	-34.72
O=[N+]([O-])C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2C=C1	REAL300020219725	1	34	-1.0	-39.77	291.13	5.02	-34.75
ClC1=CC(Cl)=CC(C2=NOC(N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020219726	0	33	-1.0	-36.30	318.83	3.28	-33.02
ClC1=CC(Cl)=CC(C2=NOC(N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020219726	1	33	-1.0	-36.30	318.76	3.26	-33.04
C1=CC=C(C2=NN=C3C=C(N4CCC(C5=N[N-]N=N5)C4)N=CN32)C=C1	REAL300020219727	0	39	-1.0	-43.34	327.40	8.88	-34.46
C1=CC=C(C2=NN=C3C=C(N4CCC(C5=NN=N[N-]5)C4)N=CN32)C=C1	REAL300020219727	1	39	-1.0	-43.34	327.48	8.89	-34.45
CCOC1=CC(N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020219728	0	37	-1.0	-38.37	309.00	4.69	-33.68
CCOC1=CC(N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020219728	1	37	-1.0	-38.37	309.07	4.70	-33.67
ClC1=CC=CC(C2=NC3=C(CCCC3)C(N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020219729	0	46	-1.0	-44.18	381.62	8.76	-35.42
ClC1=CC=CC(C2=NC3=C(CCCC3)C(N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020219729	1	46	-1.0	-44.17	381.69	8.77	-35.40
O=[N+]([O-])C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020219730	0	29	-1.0	-36.73	271.56	3.57	-33.16
O=[N+]([O-])C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020219730	1	29	-1.0	-36.74	271.49	3.57	-33.17
CN(C)S(=O)(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219731	0	41	-1.0	-51.91	353.59	2.68	-49.23
CN(C)S(=O)(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219731	1	41	-1.0	-51.98	353.65	2.70	-49.28
CC1=C(C)C(N2CCC(C3=N[N-]N=N3)C2)=NN2C1=NN=C2C(F)(F)F	REAL300020219732	0	38	-1.0	-36.96	322.15	5.71	-31.25
CC1=C(C)C(N2CCC(C3=NN=N[N-]3)C2)=NN2C1=NN=C2C(F)(F)F	REAL300020219732	1	38	-1.0	-36.98	322.22	5.71	-31.27
FC(F)C1=NN=C2C=CC(N3CCC(C4=N[N-]N=N4)C3)=NN21	REAL300020219733	0	32	-1.0	-48.00	285.69	4.86	-43.14
FC(F)C1=NN=C2C=CC(N3CCC(C4=NN=N[N-]4)C3)=NN21	REAL300020219733	1	32	-1.0	-48.01	285.77	4.86	-43.15
COCC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C(C)(C)C)=N1	REAL300020219734	0	45	-1.0	-42.43	357.54	3.93	-38.50
COCC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C(C)(C)C)=N1	REAL300020219734	1	45	-1.0	-42.42	357.60	3.94	-38.48
O=[N+]([O-])C1=CC(Br)=CN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219735	0	29	-1.0	-40.89	276.40	4.56	-36.33
O=[N+]([O-])C1=CC(Br)=CN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219735	1	29	-1.0	-40.92	276.33	4.55	-36.37
O=[N+]([O-])C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020219736	0	29	-1.0	-36.73	271.56	3.57	-33.16
O=[N+]([O-])C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020219736	1	29	-1.0	-36.74	271.49	3.57	-33.17
CC(C)(C)C1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C(C)(C)C)=N1	REAL300020219737	0	50	-1.0	-37.68	382.97	6.13	-31.55
CC(C)(C)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C(C)(C)C)=N1	REAL300020219737	1	50	-1.0	-37.70	383.04	6.14	-31.56
CC(C)(C)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C(C)(C)C)=[NH+]1	REAL300020219737	1	51	0.0	-45.19	383.12	6.86	-38.33
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020219738	0	33	-1.0	-37.80	286.14	4.32	-33.48
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020219738	1	33	-1.0	-37.88	286.21	4.33	-33.55
CC(C)(C)N1N=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C21	REAL300020219739	0	41	-1.0	-41.98	328.22	4.93	-37.05
CC(C)(C)N1N=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C21	REAL300020219739	1	41	-1.0	-41.95	328.15	4.93	-37.02
CCC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2C=CSC2=N1	REAL300020219740	0	35	-1.0	-37.10	295.29	3.18	-33.92
CCC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2C=CSC2=N1	REAL300020219740	1	35	-1.0	-37.10	295.22	3.16	-33.94
CC(C)C1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C(C)C)=N1	REAL300020219741	0	44	-1.0	-37.47	345.06	4.62	-32.85
CC(C)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C(C)C)=N1	REAL300020219741	1	44	-1.0	-37.47	345.13	4.63	-32.84
CC(C)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C(C)C)=[NH+]1	REAL300020219741	1	45	0.0	-46.46	346.92	5.61	-40.85
FC1=CC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C2C=C1Br	REAL300020219742	0	32	-1.0	-36.89	296.01	5.27	-31.62
FC1=CC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C2C=C1Br	REAL300020219742	1	32	-1.0	-36.86	295.94	5.27	-31.59
COC(=O)C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020219743	0	36	-1.0	-39.61	311.74	3.20	-36.41
COC(=O)C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020219743	1	36	-1.0	-39.57	311.66	3.19	-36.38
IC1=CC=CC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020219744	0	32	-1.0	-42.24	290.33	7.33	-34.91
IC1=CC=CC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020219744	1	32	-1.0	-42.22	290.27	7.31	-34.91
NS(=O)(=O)C1=CC=CC(N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020219745	0	35	-1.0	-58.33	305.66	-0.80	-59.13
NS(=O)(=O)C1=CC=CC(N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020219745	1	35	-1.0	-58.32	305.72	-0.78	-59.10
O=[N+]([O-])C1=CC(Cl)=C(N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020219746	0	30	-1.0	-34.94	284.49	4.78	-30.16
O=[N+]([O-])C1=CC(Cl)=C(N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020219746	1	30	-1.0	-34.94	284.56	4.79	-30.15
CC(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219747	0	35	-1.0	-50.15	300.64	5.41	-44.74
CC(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219747	1	35	-1.0	-50.16	300.72	5.41	-44.75
C1=CC=C(CC2=NC=CC(N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020219748	0	39	-1.0	-43.01	325.55	5.77	-37.24
C1=CC=C(CC2=NC=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020219748	1	39	-1.0	-43.03	325.62	5.78	-37.25
CS(=O)(=O)C1=CC([N+](=O)[O-])=C(N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020219749	0	33	-1.0	-46.74	313.72	1.29	-45.45
CS(=O)(=O)C1=CC([N+](=O)[O-])=C(N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020219749	1	33	-1.0	-46.76	313.79	1.31	-45.45
CCOC(=O)C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)N=C1C	REAL300020219750	0	38	-1.0	-39.27	315.70	4.60	-34.67
CCOC(=O)C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)N=C1C	REAL300020219750	1	38	-1.0	-39.27	315.77	4.61	-34.66
CC(C)C1=NC(N(C)C)=NC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219751	0	42	-1.0	-42.08	338.14	7.00	-35.08
CC(C)C1=NC(N(C)C)=NC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219751	1	42	-1.0	-42.12	338.21	7.00	-35.12
CC(=O)C1=CC([N+](=O)[O-])=C(N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020219752	0	32	-1.0	-37.65	294.63	4.28	-33.37
CC(=O)C1=CC([N+](=O)[O-])=C(N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020219752	1	32	-1.0	-37.65	294.71	4.31	-33.34
C1=CC=C(C2=NN=C(N3CCC(C4=N[N-]N=N4)C3)S2)N=C1	REAL300020219753	0	32	-1.0	-41.95	288.60	1.83	-40.12
C1=CC=C(C2=NN=C(N3CCC(C4=NN=N[N-]4)C3)S2)N=C1	REAL300020219753	1	32	-1.0	-41.93	288.68	1.85	-40.08
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)N=C1C1=CC=CC=C1	REAL300020219754	0	39	-1.0	-44.01	331.86	6.51	-37.50
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)N=C1C1=CC=CC=C1	REAL300020219754	1	39	-1.0	-43.99	331.79	6.51	-37.48
COC1=CC([N+](=O)[O-])=C(N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020219755	0	38	-1.0	-38.68	317.31	4.14	-34.54
COC1=CC([N+](=O)[O-])=C(N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020219755	1	38	-1.0	-38.67	317.39	4.16	-34.51
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219756	0	33	-1.0	-42.51	297.03	5.90	-36.61
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219756	1	33	-1.0	-42.50	297.10	5.90	-36.60
CC1=CSC2=NC(C)=NC(N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020219757	0	35	-1.0	-41.44	300.33	5.00	-36.44
CC1=CSC2=NC(C)=NC(N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020219757	1	35	-1.0	-41.41	300.26	5.00	-36.41
CC1=C([N+](=O)[O-])C=NC(N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020219758	0	32	-1.0	-37.61	287.05	4.22	-33.39
CC1=C([N+](=O)[O-])C=NC(N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020219758	1	32	-1.0	-37.62	287.13	4.25	-33.37
O=[N+]([O-])C1=CC=CC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020219759	0	34	-1.0	-46.41	292.11	6.86	-39.55
O=[N+]([O-])C1=CC=CC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020219759	1	34	-1.0	-46.44	292.04	6.85	-39.59
ClC1=CC2=NC=C(N3CCC(C4=NN=N[N-]4)C3)N=C2C=C1Cl	REAL300020219760	0	32	-1.0	-40.76	300.10	3.67	-37.09
ClC1=CC2=NC=C(N3CCC(C4=N[N-]N=N4)C3)N=C2C=C1Cl	REAL300020219760	1	32	-1.0	-40.72	300.03	3.65	-37.07
COC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219761	0	39	-1.0	-37.68	331.88	6.18	-31.50
COC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219761	1	39	-1.0	-37.73	331.96	6.20	-31.53
CC(C)C1=NC(N2CCC(C3=N[N-]N=N3)C2)=CC(C(C)(C)C)=N1	REAL300020219762	0	47	-1.0	-37.56	364.33	5.37	-32.19
CC(C)C1=NC(N2CCC(C3=NN=N[N-]3)C2)=CC(C(C)(C)C)=N1	REAL300020219762	1	47	-1.0	-37.55	364.40	5.37	-32.18
CC(C)C1=NC(N2CCC(C3=NN=N[N-]3)C2)=CC(C(C)(C)C)=[NH+]1	REAL300020219762	1	48	0.0	-46.67	362.75	6.36	-40.31
CS(=O)(=O)C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2C=C1	REAL300020219763	0	38	-1.0	-48.61	329.61	2.13	-46.48
CS(=O)(=O)C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2C=C1	REAL300020219763	1	38	-1.0	-48.60	329.54	2.13	-46.47
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219764	0	36	-1.0	-41.31	315.13	2.30	-39.01
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219764	1	36	-1.0	-41.36	315.20	2.30	-39.06
ClC1=CC=C(C2=CN3N=C(N4CCC(C5=NN=N[N-]5)C4)SC3=N2)C=C1	REAL300020219765	0	37	-1.0	-37.61	346.50	7.77	-29.84
ClC1=CC=C(C2=CN3N=C(N4CCC(C5=N[N-]N=N5)C4)SC3=N2)C=C1	REAL300020219765	1	37	-1.0	-37.60	346.42	7.77	-29.83
C1=CC(C2=NN=C3C=CC(N4CCC(C5=N[N-]N=N5)C4)=NN32)=CS1	REAL300020219766	0	36	-1.0	-46.36	322.19	6.70	-39.66
C1=CC(C2=NN=C3C=CC(N4CCC(C5=NN=N[N-]5)C4)=NN32)=CS1	REAL300020219766	1	36	-1.0	-46.34	322.27	6.72	-39.62
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)N=C1OCC1=CC=CC=C1	REAL300020219767	0	43	-1.0	-38.09	366.53	5.69	-32.40
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)N=C1OCC1=CC=CC=C1	REAL300020219767	1	43	-1.0	-38.10	366.45	5.68	-32.42
N#CC1=C2CCCCCCC2=NC(N2CCC(C3=N[N-]N=N3)C2)=C1C#N	REAL300020219768	0	45	-1.0	-42.66	351.05	6.03	-36.63
N#CC1=C2CCCCCCC2=NC(N2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020219768	1	45	-1.0	-42.63	351.11	6.05	-36.58
N#CC1=C2CCCCCCC2=NC(N2CCC(C3=N[N-]N=N3)C2)=C1C#N	REAL300020219769	0	45	-1.0	-42.66	351.05	6.03	-36.63
N#CC1=C2CCCCCCC2=NC(N2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020219769	1	45	-1.0	-42.63	351.11	6.05	-36.58
N#CC1=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC(F)=C(F)C(F)=C2N=C1	REAL300020219770	0	34	-1.0	-40.29	299.16	4.10	-36.19
N#CC1=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC(F)=C(F)C(F)=C2N=C1	REAL300020219770	1	34	-1.0	-40.27	299.08	4.09	-36.18
COC1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)C(C#N)=CN=C2C(OC)=C1	REAL300020219771	0	42	-1.0	-46.17	339.05	2.57	-43.60
COC1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)C(C#N)=CN=C2C(OC)=C1	REAL300020219771	1	42	-1.0	-46.13	338.98	2.56	-43.57
COC(=O)C1=CC=C([N+](=O)[O-])C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219772	0	35	-1.0	-42.53	310.72	4.63	-37.90
COC(=O)C1=CC=C([N+](=O)[O-])C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219772	1	35	-1.0	-42.53	310.65	4.63	-37.90
ClC1=CC(Cl)=C2OC(N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020219773	0	30	-1.0	-37.20	288.72	1.53	-35.67
ClC1=CC(Cl)=C2OC(N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020219773	1	30	-1.0	-37.18	288.65	1.53	-35.65
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020219774	0	30	-1.0	-41.13	274.27	4.21	-36.92
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020219774	1	30	-1.0	-41.17	274.33	4.23	-36.94
O=[N+]([O-])C1=CC(Cl)=C(N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020219775	0	30	-1.0	-34.94	284.49	4.78	-30.16
O=[N+]([O-])C1=CC(Cl)=C(N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020219775	1	30	-1.0	-34.94	284.56	4.79	-30.15
O=[N+]([O-])C1=CN=C(C(F)(F)F)C=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219776	0	32	-1.0	-35.47	293.37	4.11	-31.36
O=[N+]([O-])C1=CN=C(C(F)(F)F)C=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219776	1	32	-1.0	-35.49	293.30	4.10	-31.39
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)N=C1C1=CC=C(F)C=C1	REAL300020219777	0	39	-1.0	-41.80	338.24	6.58	-35.22
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)N=C1C1=CC=C(F)C=C1	REAL300020219777	1	39	-1.0	-41.82	338.17	6.57	-35.25
C1=CC=C(OC2=CC=NC(N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020219778	0	37	-1.0	-41.68	314.38	4.66	-37.02
C1=CC=C(OC2=CC=NC(N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020219778	1	37	-1.0	-41.65	314.31	4.66	-36.99
OC[C@H]1O[C@@H](N2C=NC3=C(N4CCC(C5=NN=N[N-]5)C4)N=CN=C32)[C@H](O)[C@@H]1O	REAL300020219779	0	46	-1.0	-51.63	380.66	-3.49	-55.12
OC[C@H]1O[C@@H](N2C=NC3=C(N4CCC(C5=N[N-]N=N5)C4)N=CN=C32)[C@H](O)[C@@H]1O	REAL300020219779	1	46	-1.0	-51.60	380.59	-3.51	-55.11
CC(C)CC1=NC=NC(N2CCC(C3=N[N-]N=N3)C2)=C1I	REAL300020219780	0	38	-1.0	-38.09	329.34	6.26	-31.83
CC(C)CC1=NC=NC(N2CCC(C3=NN=N[N-]3)C2)=C1I	REAL300020219780	1	38	-1.0	-38.09	329.41	6.26	-31.83
O=[N+]([O-])C1=CN=C(C(F)(F)C(F)(F)F)C=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219781	0	35	-1.0	-35.49	325.13	5.49	-30.00
O=[N+]([O-])C1=CN=C(C(F)(F)C(F)(F)F)C=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219781	1	35	-1.0	-35.45	325.05	5.48	-29.97
COC(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219782	0	36	-1.0	-37.87	317.91	5.64	-32.23
COC(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219782	1	36	-1.0	-37.90	317.98	5.65	-32.25
O=[N+]([O-])C1=CC=C2NC(N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020219783	0	33	-1.0	-46.48	288.57	4.36	-42.12
O=[N+]([O-])C1=CC=C2NC(N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020219783	1	33	-1.0	-46.50	288.50	4.35	-42.15
COC(=O)C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219784	0	35	-1.0	-42.76	309.73	4.61	-38.15
COC(=O)C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219784	1	35	-1.0	-42.75	309.66	4.60	-38.15
O=[N+]([O-])C1=CC2=CC=CC=C2N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219785	0	35	-1.0	-47.05	301.13	6.15	-40.90
O=[N+]([O-])C1=CC2=CC=CC=C2N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219785	1	35	-1.0	-47.05	301.06	6.15	-40.90
NC(=O)C1=CC=NC(N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020219786	0	33	-1.0	-51.61	284.55	0.66	-50.95
NC(=O)C1=CC=NC(N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020219786	1	33	-1.0	-51.59	284.48	0.66	-50.93
O=S1(=O)N=C(Cl)C2=CC=C(N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020219787	0	32	-1.0	-49.49	298.42	-0.39	-49.88
O=S1(=O)N=C(Cl)C2=CC=C(N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020219787	1	32	-1.0	-49.52	298.49	-0.37	-49.89
O=[N+]([O-])C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020219788	0	31	-1.0	-38.39	284.58	4.28	-34.11
O=[N+]([O-])C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020219788	1	31	-1.0	-38.40	284.51	4.28	-34.12
N#CC1=CC(F)=C(N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020219789	0	29	-1.0	-36.22	279.43	4.20	-32.02
N#CC1=CC(F)=C(N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020219789	1	29	-1.0	-36.19	279.51	4.21	-31.98
FC(F)(F)C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020219790	0	30	-1.0	-38.92	277.71	3.86	-35.06
FC(F)(F)C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020219790	1	30	-1.0	-38.91	277.64	3.84	-35.07
C1=CC2=C(C=C1)C1=C(N=CN=C1N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020219791	0	35	-1.0	-41.91	304.46	6.57	-35.34
C1=CC2=C(C=C1)C1=C(N=CN=C1N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020219791	1	35	-1.0	-41.93	304.38	6.56	-35.37
CCOC(=O)C1=NC(N2CCC(C3=NN=N[N-]3)C2)=CC(C(C)(C)C)=N1	REAL300020219792	0	47	-1.0	-45.58	381.07	5.68	-39.90
CCOC(=O)C1=NC(N2CCC(C3=N[N-]N=N3)C2)=CC(C(C)(C)C)=N1	REAL300020219792	1	47	-1.0	-45.56	381.00	5.68	-39.88
O=[N+]([O-])C1=CC=CC([N+](=O)[O-])=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219793	0	32	-1.0	-50.87	271.55	5.14	-45.73
O=[N+]([O-])C1=CC=CC([N+](=O)[O-])=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219793	1	32	-1.0	-50.84	271.48	5.13	-45.71
COC(=O)C1=CC(C)=NC(N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020219794	0	38	-1.0	-53.72	310.91	4.08	-49.64
COC(=O)C1=CC(C)=NC(N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020219794	1	38	-1.0	-53.72	310.98	4.10	-49.62
CC1=NC(C)=C(Br)C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219795	0	32	-1.0	-39.15	277.64	3.34	-35.81
CC1=NC(C)=C(Br)C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219795	1	32	-1.0	-39.14	277.72	3.35	-35.79
O=[N+]([O-])C1=CC=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CC=C12	REAL300020219796	0	35	-1.0	-40.42	299.50	5.42	-35.00
O=[N+]([O-])C1=CC=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CC=C12	REAL300020219796	1	35	-1.0	-40.41	299.43	5.40	-35.01
N#CC1=CC(Br)=CN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219797	0	28	-1.0	-37.59	265.60	3.20	-34.39
N#CC1=CC(Br)=CN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219797	1	28	-1.0	-37.57	265.53	3.19	-34.38
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219798	0	32	-1.0	-47.85	285.51	5.39	-42.46
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219798	1	32	-1.0	-47.87	285.57	5.40	-42.47
O=[N+]([O-])C1=C(N2CCOCC2)N=CN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219799	0	41	-1.0	-40.08	337.78	2.94	-37.14
O=[N+]([O-])C1=C(N2CCOCC2)N=CN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219799	1	41	-1.0	-40.10	337.70	2.94	-37.16
COC(=O)CC1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219800	0	39	-1.0	-55.04	334.25	6.16	-48.88
COC(=O)CC1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219800	1	39	-1.0	-55.02	334.31	6.17	-48.85
FC(F)(F)C1=CC(Cl)=C(N2CCC(C3=NN=N[N-]3)C2)N=C1Cl	REAL300020219801	0	30	-1.0	-38.44	291.68	4.27	-34.17
FC(F)(F)C1=CC(Cl)=C(N2CCC(C3=N[N-]N=N3)C2)N=C1Cl	REAL300020219801	1	30	-1.0	-38.35	291.61	4.25	-34.10
O=[N+]([O-])C1=C(Br)C=CC=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219802	0	30	-1.0	-45.80	283.12	4.72	-41.08
O=[N+]([O-])C1=C(Br)C=CC=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219802	1	30	-1.0	-45.81	283.19	4.72	-41.09
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219803	0	36	-1.0	-41.31	315.13	2.30	-39.01
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219803	1	36	-1.0	-41.36	315.20	2.30	-39.06
COC(=O)C1=CC=NC(N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020219804	0	35	-1.0	-45.39	304.47	4.34	-41.05
COC(=O)C1=CC=NC(N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020219804	1	35	-1.0	-45.39	304.39	4.33	-41.06
CC(=O)C1=CC=C(C(F)(F)F)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219805	0	35	-1.0	-50.03	307.64	4.78	-45.25
CC(=O)C1=CC=C(C(F)(F)F)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219805	1	35	-1.0	-50.00	307.71	4.79	-45.21
CC1=CC(N2CCC(C3=N[N-]N=N3)C2)=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300020219806	0	36	-1.0	-42.39	312.64	5.79	-36.60
CC1=CC(N2CCC(C3=NN=N[N-]3)C2)=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300020219806	1	36	-1.0	-42.44	312.70	5.80	-36.64
ClC1=NC2=C(N3CCC(C4=NN=N[N-]4)C3)N=C(Cl)N=C2C=C1	REAL300020219807	0	31	-1.0	-41.51	296.03	2.98	-38.53
ClC1=NC2=C(N3CCC(C4=N[N-]N=N4)C3)N=C(Cl)N=C2C=C1	REAL300020219807	1	31	-1.0	-41.49	295.95	2.97	-38.52
COC(=O)C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219808	0	35	-1.0	-42.76	309.73	4.61	-38.15
COC(=O)C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219808	1	35	-1.0	-42.75	309.66	4.60	-38.15
FC1=CC=C(CC2=NC=CC(N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020219809	0	39	-1.0	-42.35	331.97	5.83	-36.52
FC1=CC=C(CC2=NC=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020219809	1	39	-1.0	-42.35	332.03	5.85	-36.50
CC1=CC(N2CCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300020219810	0	36	-1.0	-35.99	312.98	6.45	-29.54
CC1=CC(N2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300020219810	1	36	-1.0	-35.99	313.05	6.47	-29.52
O=[N+]([O-])C1=CC(Br)=CN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219811	0	29	-1.0	-40.89	276.40	4.56	-36.33
O=[N+]([O-])C1=CC(Br)=CN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219811	1	29	-1.0	-40.92	276.33	4.55	-36.37
CSC1=NC(C(F)F)=CC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219812	0	33	-1.0	-39.33	299.03	3.00	-36.33
CSC1=NC(C(F)F)=CC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219812	1	33	-1.0	-39.36	299.10	3.01	-36.35
CC(C)C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2C=C1	REAL300020219813	0	41	-1.0	-42.80	323.12	6.27	-36.53
CC(C)C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2C=C1	REAL300020219813	1	41	-1.0	-42.80	323.04	6.25	-36.55
O=[N+]([O-])C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2C(Cl)=C1	REAL300020219814	0	34	-1.0	-37.48	313.26	5.88	-31.60
O=[N+]([O-])C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2C(Cl)=C1	REAL300020219814	1	34	-1.0	-37.49	313.19	5.87	-31.62
FC1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=C(C(F)F)N=C2C=C1	REAL300020219815	0	35	-1.0	-43.04	303.37	4.72	-38.32
FC1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=C(C(F)F)N=C2C=C1	REAL300020219815	1	35	-1.0	-43.00	303.45	4.72	-38.28
N#CC1=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC(Cl)=C2N=C1	REAL300020219816	0	34	-1.0	-43.73	296.42	4.48	-39.25
N#CC1=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC(Cl)=C2N=C1	REAL300020219816	1	34	-1.0	-43.73	296.35	4.46	-39.27
O=[N+]([O-])C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020219817	0	32	-1.0	-36.67	294.76	4.51	-32.16
O=[N+]([O-])C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1	REAL300020219817	1	32	-1.0	-36.65	294.69	4.51	-32.14
CC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=CS2)=N1	REAL300020219818	0	36	-1.0	-39.89	314.28	4.34	-35.55
CC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C2=CC=CS2)=N1	REAL300020219818	1	36	-1.0	-39.81	314.20	4.34	-35.47
O=[N+]([O-])C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CC=C2C=C1	REAL300020219819	0	35	-1.0	-45.44	302.13	5.51	-39.93
O=[N+]([O-])C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CC=C2C=C1	REAL300020219819	1	35	-1.0	-45.47	302.20	5.51	-39.96
O=[N+]([O-])C1=CC=CC([N+](=O)[O-])=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219820	0	32	-1.0	-50.87	271.55	5.14	-45.73
O=[N+]([O-])C1=CC=CC([N+](=O)[O-])=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219820	1	32	-1.0	-50.84	271.48	5.13	-45.71
CC1=CC=C(C2=NC3=CC=CC=C3C(N3CCC(C4=NN=N[N-]4)C3)=N2)S1	REAL300020219821	0	42	-1.0	-49.05	356.05	7.32	-41.73
CC1=CC=C(C2=NC3=CC=CC=C3C(N3CCC(C4=N[N-]N=N4)C3)=N2)S1	REAL300020219821	1	42	-1.0	-48.99	355.97	7.30	-41.69
C1=NN2C(=C1)N=C(C1=CC=CC=C1)C=C2N1CCC(C2=NN=N[N-]2)C1	REAL300020219822	0	40	-1.0	-40.53	330.59	7.97	-32.56
C1=NN2C(=C1)N=C(C1=CC=CC=C1)C=C2N1CCC(C2=N[N-]N=N2)C1	REAL300020219822	1	40	-1.0	-40.51	330.52	7.96	-32.55
CSC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(SC)=N1	REAL300020219823	0	34	-1.0	-39.24	307.48	3.34	-35.90
CSC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(SC)=N1	REAL300020219823	1	34	-1.0	-39.24	307.41	3.34	-35.90
CCN1C(=O)C(N2CCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C21	REAL300020219824	0	39	-1.0	-45.10	317.07	5.36	-39.74
CCN1C(=O)C(N2CCC(C3=N[N-]N=N3)C2)=NC2=CC=CC=C21	REAL300020219824	1	39	-1.0	-45.12	317.00	5.35	-39.77
C1CN(C2=NC(C3CCCCC3)=NS2)CC1C1=N[N-]N=N1	REAL300020219825	0	39	-1.0	-37.89	319.81	4.28	-33.61
C1CN(C2=NC(C3CCCCC3)=NS2)CC1C1=NN=N[N-]1	REAL300020219825	1	39	-1.0	-37.87	319.88	4.30	-33.57
FC(F)(F)C1=C(Br)SC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219826	0	27	-1.0	-40.12	276.71	2.64	-37.48
FC(F)(F)C1=C(Br)SC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219826	1	27	-1.0	-40.06	276.63	2.61	-37.45
FC1=C(Cl)N=C(Cl)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219827	0	26	-1.0	-35.32	261.29	2.44	-32.88
FC1=C(Cl)N=C(Cl)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219827	1	26	-1.0	-35.32	261.22	2.43	-32.89
IC1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020219828	0	29	-1.0	-38.06	288.94	4.66	-33.40
IC1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020219828	1	29	-1.0	-38.03	288.86	4.63	-33.40
COC1=NC=C(Br)C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219829	0	30	-1.0	-40.74	276.41	-0.14	-40.88
COC1=NC=C(Br)C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219829	1	30	-1.0	-40.68	276.34	-0.14	-40.82
FC1=CC=CC2=CC(Br)=C(N3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020219830	0	33	-1.0	-48.75	294.70	5.24	-43.51
FC1=CC=CC2=CC(Br)=C(N3CCC(C4=N[N-]N=N4)C3)N=C12	REAL300020219830	1	33	-1.0	-48.72	294.63	5.22	-43.50
COC1=CC=CC(C2=NC3=CC=CC=C3C(N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020219831	0	46	-1.0	-46.49	378.08	7.13	-39.36
COC1=CC=CC(C2=NC3=CC=CC=C3C(N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020219831	1	46	-1.0	-46.50	378.01	7.12	-39.38
C1=NC=C2C(N3CCC(C4=NN=N[N-]4)C3)=NC3=CC=CC=C3N12	REAL300020219832	0	36	-1.0	-45.41	298.37	6.71	-38.70
C1=NC=C2C(N3CCC(C4=N[N-]N=N4)C3)=NC3=CC=CC=C3N12	REAL300020219832	1	36	-1.0	-45.44	298.29	6.71	-38.73
CCOC(=O)CCC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C)=N1	REAL300020219833	0	44	-1.0	-40.67	363.01	4.70	-35.97
CCOC(=O)CCC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C)=N1	REAL300020219833	1	44	-1.0	-40.71	363.08	4.71	-36.00
COC(=O)C1=NC=NC(N2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020219834	0	36	-1.0	-41.00	310.30	2.98	-38.02
COC(=O)C1=NC=NC(N2CCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020219834	1	36	-1.0	-41.00	310.22	2.97	-38.03
O=[N+]([O-])C1=CC2=C(CCCC2)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219835	0	39	-1.0	-47.05	314.53	6.41	-40.64
O=[N+]([O-])C1=CC2=C(CCCC2)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219835	1	39	-1.0	-47.06	314.59	6.43	-40.63
CC(C)OC1=NC(N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020219836	0	39	-1.0	-36.74	326.76	3.53	-33.21
CC(C)OC1=NC(N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020219836	1	39	-1.0	-36.77	326.69	3.51	-33.26
IC1=CC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C2S1	REAL300020219837	0	29	-1.0	-38.89	285.16	4.65	-34.24
IC1=CC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C2S1	REAL300020219837	1	29	-1.0	-38.86	285.08	4.64	-34.22
BrC1=CC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C2S1	REAL300020219838	0	29	-1.0	-38.90	278.62	4.17	-34.73
BrC1=CC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C2S1	REAL300020219838	1	29	-1.0	-38.87	278.54	4.16	-34.71
BrC1=NN=C2C=CC(N3CCC(C4=NN=N[N-]4)C3)=NN12	REAL300020219839	0	29	-1.0	-46.85	273.23	4.61	-42.24
BrC1=NN=C2C=CC(N3CCC(C4=N[N-]N=N4)C3)=NN12	REAL300020219839	1	29	-1.0	-46.88	273.16	4.60	-42.28
C1=CC=C(CSC2=CC(N3CCC(C4=NN=N[N-]4)C3)=NC=N2)C=C1	REAL300020219840	0	40	-1.0	-39.27	347.08	6.81	-32.46
C1=CC=C(CSC2=CC(N3CCC(C4=N[N-]N=N4)C3)=NC=N2)C=C1	REAL300020219840	1	40	-1.0	-39.28	347.00	6.78	-32.50
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC=C(F)C(F)=C2N=C1	REAL300020219841	0	35	-1.0	-44.33	301.60	4.81	-39.52
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC=C(F)C(F)=C2N=C1	REAL300020219841	1	35	-1.0	-44.30	301.54	4.79	-39.51
FC1=CC(F)=CC(C2=NSC(N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020219842	0	33	-1.0	-35.03	304.20	4.45	-30.58
FC1=CC(F)=CC(C2=NSC(N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020219842	1	33	-1.0	-35.05	304.13	4.44	-30.61
COC1=CC=C(C2=NC=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020219843	0	40	-1.0	-44.32	331.35	4.76	-39.56
COC1=CC=C(C2=NC=CC(N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020219843	1	40	-1.0	-44.30	331.28	4.75	-39.55
FC(F)OC1=C2SC(N3CCC(C4=NN=N[N-]4)C3)=NC2=CC=C1	REAL300020219844	0	34	-1.0	-42.58	304.71	2.89	-39.69
FC(F)OC1=C2SC(N3CCC(C4=N[N-]N=N4)C3)=NC2=CC=C1	REAL300020219844	1	34	-1.0	-42.56	304.64	2.87	-39.69
FC1=NC=NC(N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020219845	0	26	-1.0	-36.29	244.28	2.79	-33.50
FC1=NC=NC(N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020219845	1	26	-1.0	-36.30	244.20	2.78	-33.52
O=[N+]([O-])C1=CC=CC(Br)=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219846	0	30	-1.0	-41.85	268.77	5.07	-36.78
O=[N+]([O-])C1=CC=CC(Br)=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219846	1	30	-1.0	-41.83	268.84	5.08	-36.75
C1=CC=C(C2=NSC3=C(N4CCC(C5=NN=N[N-]5)C4)N=CN=C23)C=C1	REAL300020219847	0	38	-1.0	-39.96	330.34	6.10	-33.86
C1=CC=C(C2=NSC3=C(N4CCC(C5=N[N-]N=N5)C4)N=CN=C23)C=C1	REAL300020219847	1	38	-1.0	-39.89	330.27	6.10	-33.79
IC1=NC=C(N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020219848	0	26	-1.0	-36.61	250.64	1.30	-35.31
IC1=NC=C(N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020219848	1	26	-1.0	-36.62	250.56	1.28	-35.34
COC1=CC(C(F)(F)F)=NC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219849	0	33	-1.0	-37.03	296.11	1.99	-35.04
COC1=CC(C(F)(F)F)=NC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219849	1	33	-1.0	-37.02	296.04	1.97	-35.05
COC1=CC(N2CCC(C3=N[N-]N=N3)C2)=C(Cl)C=C1[N+](=O)[O-]	REAL300020219850	0	34	-1.0	-35.84	304.24	4.71	-31.13
COC1=CC(N2CCC(C3=NN=N[N-]3)C2)=C(Cl)C=C1[N+](=O)[O-]	REAL300020219850	1	34	-1.0	-35.87	304.31	4.73	-31.14
CCOC(=O)C1=NC(N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020219851	0	36	-1.0	-37.52	320.29	3.81	-33.71
CCOC(=O)C1=NC(N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020219851	1	36	-1.0	-37.53	320.21	3.79	-33.74
N#CC1=C(N2CCC(C3=NN=N[N-]3)C2)C=CC([N+](=O)[O-])=C1N	REAL300020219852	0	33	-1.0	-36.55	289.77	2.59	-33.96
N#CC1=C(N2CCC(C3=N[N-]N=N3)C2)C=CC([N+](=O)[O-])=C1N	REAL300020219852	1	33	-1.0	-36.54	289.70	2.58	-33.96
CC1=NN2C(=C1)N=C(Cl)C=C2N1CCC(C2=N[N-]N=N2)C1	REAL300020219853	0	33	-1.0	-37.62	292.41	5.31	-32.31
CC1=NN2C(=C1)N=C(Cl)C=C2N1CCC(C2=NN=N[N-]2)C1	REAL300020219853	1	33	-1.0	-37.67	292.48	5.32	-32.35
NC(=O)C1=CC(N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020219854	0	34	-1.0	-44.50	289.03	1.07	-43.43
NC(=O)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020219854	1	34	-1.0	-44.52	289.11	1.08	-43.44
CC1=CC=CC=C1C1=NSC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219855	0	36	-1.0	-39.90	307.56	5.18	-34.72
CC1=CC=CC=C1C1=NSC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219855	1	36	-1.0	-39.96	307.63	5.19	-34.77
ClC1=CC2=NC=C(N3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020219856	0	32	-1.0	-40.42	284.90	3.26	-37.16
ClC1=CC2=NC=C(N3CCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020219856	1	32	-1.0	-40.40	284.83	3.24	-37.16
FC1=CC=C(C2=NN=C3C=CC(N4CCC(C5=N[N-]N=N5)C4)=NN32)C=C1	REAL300020219857	0	39	-1.0	-45.35	337.36	7.84	-37.51
FC1=CC=C(C2=NN=C3C=CC(N4CCC(C5=NN=N[N-]5)C4)=NN32)C=C1	REAL300020219857	1	39	-1.0	-45.36	337.44	7.86	-37.50
FC1=CC=CC(C2=NN=C3C=CC(N4CCC(C5=N[N-]N=N5)C4)=NN32)=C1	REAL300020219858	0	39	-1.0	-49.75	337.39	7.84	-41.91
FC1=CC=CC(C2=NN=C3C=CC(N4CCC(C5=NN=N[N-]5)C4)=NN32)=C1	REAL300020219858	1	39	-1.0	-49.76	337.47	7.86	-41.90
C1CN(C2=NC(C3CCOCC3)=NS2)CC1C1=N[N-]N=N1	REAL300020219859	0	37	-1.0	-38.13	310.58	1.88	-36.25
C1CN(C2=NC(C3CCOCC3)=NS2)CC1C1=NN=N[N-]1	REAL300020219859	1	37	-1.0	-38.13	310.65	1.89	-36.24
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C=CC2=CN=CC=C21	REAL300020219860	0	35	-1.0	-48.36	302.69	4.61	-43.75
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C=CC2=CN=CC=C21	REAL300020219860	1	35	-1.0	-48.33	302.76	4.61	-43.72
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C=CC2=CN=CC=C21	REAL300020219861	0	35	-1.0	-48.36	302.69	4.61	-43.75
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C=CC2=CN=CC=C21	REAL300020219861	1	35	-1.0	-48.33	302.76	4.61	-43.72
CC(C)(C)OC(=O)N1CC(C2=CC(N3CCC(C4=N[N-]N=N4)C3)=NC=N2)C1	REAL300020219862	0	50	-1.0	-41.89	394.54	4.32	-37.57
CC(C)(C)OC(=O)N1CC(C2=CC(N3CCC(C4=NN=N[N-]4)C3)=NC=N2)C1	REAL300020219862	1	50	-1.0	-41.91	394.61	4.34	-37.57
BrC1=C2N=C(N3CCC(C4=NN=N[N-]4)C3)SC2=CC=C1	REAL300020219863	0	30	-1.0	-44.38	287.63	4.16	-40.22
BrC1=C2N=C(N3CCC(C4=N[N-]N=N4)C3)SC2=CC=C1	REAL300020219863	1	30	-1.0	-44.38	287.56	4.15	-40.23
FC(F)(F)C1=NC=NC(N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020219864	0	29	-1.0	-36.27	279.17	3.91	-32.36
FC(F)(F)C1=NC=NC(N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020219864	1	29	-1.0	-36.23	279.10	3.91	-32.32
BrC1=CN=CC(C2=NC=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020219865	0	35	-1.0	-37.15	317.21	3.67	-33.48
BrC1=CN=CC(C2=NC=CC(N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020219865	1	35	-1.0	-37.15	317.14	3.66	-33.49
C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=C(C3=CC=CC=N3)N=C2S1	REAL300020219866	0	38	-1.0	-49.94	330.54	4.74	-45.20
C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=C(C3=CC=CC=N3)N=C2S1	REAL300020219866	1	38	-1.0	-49.90	330.48	4.73	-45.17
O=C(C1=CC=CC=C1)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219867	0	42	-1.0	-48.68	356.74	6.99	-41.69
O=C(C1=CC=CC=C1)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219867	1	42	-1.0	-48.72	356.80	7.00	-41.72
FC(F)(F)C1=C(N2CCC(C3=NN=N[N-]3)C2)OC(C2=CC=CC=C2)=N1	REAL300020219868	0	37	-1.0	-38.94	332.97	2.35	-36.59
FC(F)(F)C1=C(N2CCC(C3=N[N-]N=N3)C2)OC(C2=CC=CC=C2)=N1	REAL300020219868	1	37	-1.0	-38.92	332.89	2.34	-36.58
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C(CS(=O)(=O)F)=C1	REAL300020219869	0	36	-1.0	-49.42	324.99	2.17	-47.25
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C(CS(=O)(=O)F)=C1	REAL300020219869	1	36	-1.0	-49.39	325.05	2.18	-47.21
CCOC(=O)C1=NC=C(Br)C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219870	0	35	-1.0	-43.27	322.76	3.95	-39.32
CCOC(=O)C1=NC=C(Br)C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219870	1	35	-1.0	-43.28	322.68	3.95	-39.33
N#CC1=CC(F)=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219871	0	31	-1.0	-42.68	280.04	5.20	-37.48
N#CC1=CC(F)=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219871	1	31	-1.0	-42.64	280.11	5.21	-37.43
CCC(C)OC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C)=N1	REAL300020219872	0	42	-1.0	-40.18	339.79	3.21	-36.97
CCC(C)OC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C)=N1	REAL300020219872	1	42	-1.0	-40.17	339.86	3.22	-36.95
C1=CC=C(SCC2=NC=CC(N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020219873	0	40	-1.0	-38.98	344.58	5.71	-33.27
C1=CC=C(SCC2=NC=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020219873	1	40	-1.0	-39.01	344.65	5.74	-33.27
CC(C)(C)OC(=O)N1CC(C2=CC=NC(N3CCC(C4=N[N-]N=N4)C3)=N2)C1	REAL300020219874	0	50	-1.0	-45.59	396.40	5.07	-40.52
CC(C)(C)OC(=O)N1CC(C2=CC=NC(N3CCC(C4=NN=N[N-]4)C3)=N2)C1	REAL300020219874	1	50	-1.0	-45.63	396.46	5.08	-40.55
CC1=CC=C2SC(N3CCC(C4=NN=N[N-]4)C3)=NC2=C1C	REAL300020219875	0	36	-1.0	-40.26	302.31	4.67	-35.59
CC1=CC=C2SC(N3CCC(C4=N[N-]N=N4)C3)=NC2=C1C	REAL300020219875	1	36	-1.0	-40.24	302.23	4.66	-35.58
C1=CSC(C2=CSC3=NC=NC(N4CCC(C5=NN=N[N-]5)C4)=C23)=C1	REAL300020219876	0	36	-1.0	-40.12	323.99	7.41	-32.71
C1=CSC(C2=CSC3=NC=NC(N4CCC(C5=N[N-]N=N5)C4)=C23)=C1	REAL300020219876	1	36	-1.0	-40.10	323.92	7.39	-32.71
CC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C2=CC=C(Br)C=C2)=N1	REAL300020219877	0	39	-1.0	-37.26	343.82	6.10	-31.16
CC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=C(Br)C=C2)=N1	REAL300020219877	1	39	-1.0	-37.25	343.90	6.10	-31.15
CC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=C(Br)C=C2)=[NH+]1	REAL300020219877	1	40	0.0	-55.00	345.04	7.16	-47.84
FC(F)(F)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)N=C1C(F)(F)F	REAL300020219878	0	33	-1.0	-35.44	294.02	3.57	-31.87
FC(F)(F)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)N=C1C(F)(F)F	REAL300020219878	1	33	-1.0	-35.42	293.94	3.56	-31.86
C1=CSC(C2=NC=CC(N3CCC(C4=N[N-]N=N4)C3)=N2)=N1	REAL300020219879	0	32	-1.0	-40.71	287.98	1.76	-38.95
C1=CSC(C2=NC=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)=N1	REAL300020219879	1	32	-1.0	-40.73	288.05	1.77	-38.96
CC(C)(C)N1N=C(Br)C2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C21	REAL300020219880	0	41	-1.0	-40.06	351.87	5.84	-34.22
CC(C)(C)N1N=C(Br)C2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C21	REAL300020219880	1	41	-1.0	-40.01	351.79	5.83	-34.18
CC1=CC=CC(C2=NSC(N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020219881	0	36	-1.0	-40.57	316.17	5.14	-35.43
CC1=CC=CC(C2=NSC(N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020219881	1	36	-1.0	-40.56	316.10	5.12	-35.44
ClC1=CC=C2N=C(N3CCC(C4=NN=N[N-]4)C3)C3=CN=CN3C2=C1	REAL300020219882	0	36	-1.0	-41.82	315.18	7.24	-34.58
ClC1=CC=C2N=C(N3CCC(C4=N[N-]N=N4)C3)C3=CN=CN3C2=C1	REAL300020219882	1	36	-1.0	-41.81	315.10	7.21	-34.60
FC(F)(F)C1=CC(Br)=CN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219883	0	30	-1.0	-37.77	287.73	4.47	-33.30
FC(F)(F)C1=CC(Br)=CN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219883	1	30	-1.0	-37.76	287.66	4.46	-33.30
FC1=CC=CC=C1N1N=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C21	REAL300020219884	0	39	-1.0	-44.84	326.90	7.03	-37.81
FC1=CC=CC=C1N1N=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C21	REAL300020219884	1	39	-1.0	-44.85	326.83	7.02	-37.83
CN1N=C(C(F)(F)F)C([N+](=O)[O-])=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219885	0	33	-1.0	-45.57	292.82	2.95	-42.62
CN1N=C(C(F)(F)F)C([N+](=O)[O-])=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219885	1	33	-1.0	-45.55	292.75	2.95	-42.60
CCN1C=NC2=C(N3CCC(C4=NN=N[N-]4)C3)N=C(Cl)N=C21	REAL300020219886	0	35	-1.0	-46.90	310.06	5.17	-41.73
CCN1C=NC2=C(N3CCC(C4=N[N-]N=N4)C3)N=C(Cl)N=C21	REAL300020219886	1	35	-1.0	-46.88	309.99	5.16	-41.72
N#CC1=CC([N+](=O)[O-])=C(N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020219887	0	31	-1.0	-36.78	284.16	5.26	-31.52
N#CC1=CC([N+](=O)[O-])=C(N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020219887	1	31	-1.0	-36.77	284.23	5.26	-31.51
COC(=O)C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020219888	0	36	-1.0	-39.14	321.04	4.53	-34.61
COC(=O)C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1	REAL300020219888	1	36	-1.0	-39.16	320.96	4.52	-34.64
O=[N+]([O-])C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C(C(F)F)=C1	REAL300020219889	0	33	-1.0	-41.35	293.03	5.35	-36.00
O=[N+]([O-])C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C(C(F)F)=C1	REAL300020219889	1	33	-1.0	-41.36	293.10	5.35	-36.01
N#CC1=CC(C(F)(F)F)=CC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219890	0	31	-1.0	-42.44	287.32	3.84	-38.60
N#CC1=CC(C(F)(F)F)=CC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219890	1	31	-1.0	-42.38	287.25	3.82	-38.56
O=[N+]([O-])C1=CC=C(Cl)C(Cl)=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219891	0	30	-1.0	-40.08	281.32	5.52	-34.56
O=[N+]([O-])C1=CC=C(Cl)C(Cl)=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219891	1	30	-1.0	-40.14	281.39	5.52	-34.62
O=[N+]([O-])C1=CC(CO)=C(N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020219892	0	34	-1.0	-39.83	295.41	1.67	-38.16
O=[N+]([O-])C1=CC(CO)=C(N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020219892	1	34	-1.0	-39.82	295.49	1.68	-38.14
CO[C@H]1C[C@@H](C[NH+](C)C)N(C2=CC(N3CCC(C4=N[N-]N=N4)C3)=NC=N2)C1	REAL300020219893	0	54	0.0	-60.72	400.01	4.11	-56.61
CO[C@H]1C[C@@H](C[NH+](C)C)N(C2=CC(N3CCC(C4=NN=N[N-]4)C3)=NC=N2)C1	REAL300020219893	1	54	0.0	-60.72	400.08	4.12	-56.60
N#CC1=CC=CC(Br)=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219894	0	29	-1.0	-45.46	266.10	3.88	-41.58
N#CC1=CC=CC(Br)=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219894	1	29	-1.0	-45.48	266.17	3.88	-41.60
N#CC1=CC=CC(OC2=CC=NC(N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020219895	0	38	-1.0	-43.97	335.92	4.79	-39.18
N#CC1=CC=CC(OC2=CC=NC(N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020219895	1	38	-1.0	-44.00	335.86	4.78	-39.22
IC1=CN=C(N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020219896	0	26	-1.0	-38.27	251.06	3.40	-34.87
IC1=CN=C(N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020219896	1	26	-1.0	-38.30	250.98	3.39	-34.91
CCOC(=O)C1=CN=C(C(F)(F)F)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219897	0	38	-1.0	-41.81	339.39	4.94	-36.87
CCOC(=O)C1=CN=C(C(F)(F)F)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219897	1	38	-1.0	-41.79	339.32	4.92	-36.87
CCOC(=O)C1=CN=C(CC)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219898	0	41	-1.0	-42.02	341.48	5.19	-36.83
CCOC(=O)C1=CN=C(CC)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219898	1	41	-1.0	-42.03	341.55	5.19	-36.84
ClC1=CC=CC(C2=CC(N3CCC(C4=NN=N[N-]4)C3)=NC=N2)=C1	REAL300020219899	0	36	-1.0	-41.94	316.30	6.37	-35.57
ClC1=CC=CC(C2=CC(N3CCC(C4=N[N-]N=N4)C3)=NC=N2)=C1	REAL300020219899	1	36	-1.0	-41.96	316.23	6.35	-35.61
FC(F)C1=NC2=NC=NN2C(N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020219900	0	32	-1.0	-39.21	282.02	7.27	-31.94
FC(F)C1=NC2=NC=NN2C(N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020219900	1	32	-1.0	-39.26	282.10	7.29	-31.97
CCC1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=C(C)N=C2S1	REAL300020219901	0	38	-1.0	-42.11	321.05	4.81	-37.30
CCC1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=C(C)N=C2S1	REAL300020219901	1	38	-1.0	-42.09	321.13	4.82	-37.27
O=C(NC1CC1)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219902	0	41	-1.0	-40.19	345.51	4.84	-35.35
O=C(NC1CC1)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219902	1	41	-1.0	-40.19	345.58	4.85	-35.34
CCOC(=O)C1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C)=N1	REAL300020219903	0	38	-1.0	-40.01	322.59	3.66	-36.35
CCOC(=O)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C)=N1	REAL300020219903	1	38	-1.0	-40.04	322.66	3.67	-36.37
N#CC1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020219904	0	28	-1.0	-38.43	263.84	3.32	-35.11
N#CC1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020219904	1	28	-1.0	-38.38	263.77	3.32	-35.06
COC(=O)C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020219905	0	33	-1.0	-38.87	294.33	3.45	-35.42
COC(=O)C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020219905	1	33	-1.0	-38.85	294.26	3.44	-35.41
BrC1=CC=C2OC(N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020219906	0	30	-1.0	-38.38	277.05	1.17	-37.21
BrC1=CC=C2OC(N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020219906	1	30	-1.0	-38.41	276.98	1.15	-37.26
ClC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C2CCCO2)=N1	REAL300020219907	0	37	-1.0	-40.74	319.21	2.47	-38.27
ClC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2CCCO2)=N1	REAL300020219907	1	37	-1.0	-40.77	319.28	2.48	-38.29
CCOC(=O)C1=CC(Cl)=NN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219908	0	35	-1.0	-42.71	315.98	4.07	-38.64
CCOC(=O)C1=CC(Cl)=NN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219908	1	35	-1.0	-42.68	315.91	4.06	-38.62
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C=CC=C1C(F)(F)F	REAL300020219909	0	33	-1.0	-55.80	291.08	4.68	-51.12
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C=CC=C1C(F)(F)F	REAL300020219909	1	33	-1.0	-55.78	291.15	4.69	-51.09
ClC1=CC=CC(C2=NC=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020219910	0	36	-1.0	-39.19	317.64	5.39	-33.80
ClC1=CC=CC(C2=NC=CC(N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020219910	1	36	-1.0	-39.18	317.56	5.37	-33.81
COC1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)C([N+](=O)[O-])=CN=C2C=C1	REAL300020219911	0	39	-1.0	-40.59	316.67	4.09	-36.50
COC1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)C([N+](=O)[O-])=CN=C2C=C1	REAL300020219911	1	39	-1.0	-40.62	316.59	4.08	-36.54
BrC1=CC=C(C2=CN=CN=C2N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020219912	0	36	-1.0	-39.85	325.06	6.88	-32.97
BrC1=CC=C(C2=CN=CN=C2N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020219912	1	36	-1.0	-39.83	324.98	6.88	-32.95
O=[N+]([O-])C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020219913	0	35	-1.0	-41.65	297.10	5.38	-36.27
O=[N+]([O-])C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020219913	1	35	-1.0	-41.62	297.02	5.38	-36.24
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC(Cl)=C2N=C1	REAL300020219914	0	35	-1.0	-46.19	305.19	5.28	-40.91
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC(Cl)=C2N=C1	REAL300020219914	1	35	-1.0	-46.17	305.13	5.27	-40.90
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC=C(Br)C=C2N=C1	REAL300020219915	0	35	-1.0	-34.59	310.67	5.38	-29.21
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC=C(Br)C=C2N=C1	REAL300020219915	1	35	-1.0	-34.59	310.59	5.38	-29.21
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC(Cl)=CC=C2N=C1	REAL300020219916	0	35	-1.0	-37.58	306.12	5.27	-32.31
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC(Cl)=CC=C2N=C1	REAL300020219916	1	35	-1.0	-37.57	306.05	5.26	-32.31
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC(F)=CC=C2N=C1	REAL300020219917	0	35	-1.0	-39.24	295.82	4.83	-34.41
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC(F)=CC=C2N=C1	REAL300020219917	1	35	-1.0	-39.25	295.75	4.82	-34.43
O=[N+]([O-])C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)C([N+](=O)[O-])=CN=C2C=C1	REAL300020219918	0	37	-1.0	-43.14	317.38	5.42	-37.72
O=[N+]([O-])C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)C([N+](=O)[O-])=CN=C2C=C1	REAL300020219918	1	37	-1.0	-43.15	317.31	5.42	-37.73
FC1=CC(Cl)=CC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020219919	0	32	-1.0	-39.26	290.27	5.53	-33.73
FC1=CC(Cl)=CC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020219919	1	32	-1.0	-39.24	290.21	5.52	-33.72
NC1=NC(N2CCC(C3=NN=N[N-]3)C2)=NC(C(F)(F)C(F)(F)F)=N1	REAL300020219920	0	33	-1.0	-40.03	305.41	4.31	-35.72
NC1=NC(N2CCC(C3=N[N-]N=N3)C2)=NC(C(F)(F)C(F)(F)F)=N1	REAL300020219920	1	33	-1.0	-40.05	305.34	4.30	-35.75
CCOCC1=NC(Cl)=CC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219921	0	36	-1.0	-37.07	315.62	1.93	-35.14
CCOCC1=NC(Cl)=CC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219921	1	36	-1.0	-37.08	315.70	1.94	-35.14
FC1=C(F)C2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020219922	0	32	-1.0	-40.21	281.73	4.77	-35.44
FC1=C(F)C2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020219922	1	32	-1.0	-40.22	281.66	4.77	-35.45
ClC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C2CCC2)=N1	REAL300020219923	0	36	-1.0	-35.67	306.30	4.20	-31.47
ClC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2CCC2)=N1	REAL300020219923	1	36	-1.0	-35.69	306.37	4.20	-31.49
C1=NC(OC2CCOCC2)=CC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219924	0	41	-1.0	-39.37	328.27	1.45	-37.92
C1=NC(OC2CCOCC2)=CC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219924	1	41	-1.0	-39.39	328.20	1.43	-37.96
N#CC1=CC(F)=C(C(F)(F)F)C=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219925	0	32	-1.0	-37.28	297.09	4.90	-32.38
N#CC1=CC(F)=C(C(F)(F)F)C=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219925	1	32	-1.0	-37.29	297.17	4.92	-32.37
C1=CC=C(CN2N=NC3=C(N4CCC(C5=NN=N[N-]5)C4)N=CN=C32)C=C1	REAL300020219926	0	41	-1.0	-40.37	347.50	5.62	-34.75
C1=CC=C(CN2N=NC3=C(N4CCC(C5=N[N-]N=N5)C4)N=CN=C32)C=C1	REAL300020219926	1	41	-1.0	-40.31	347.42	5.61	-34.70
CCOC(=O)C1=CC([N+](=O)[O-])=C(N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020219927	0	42	-1.0	-37.55	350.98	7.04	-30.51
CCOC(=O)C1=CC([N+](=O)[O-])=C(N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020219927	1	42	-1.0	-37.54	351.05	7.05	-30.49
CCOC(=O)C1=C(C(F)(F)F)N=C(N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020219928	0	36	-1.0	-37.71	321.09	0.70	-37.01
CCOC(=O)C1=C(C(F)(F)F)N=C(N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020219928	1	36	-1.0	-37.66	321.02	0.70	-36.96
BrC1=CC=C(C2=NC=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020219929	0	36	-1.0	-42.65	323.23	6.09	-36.56
BrC1=CC=C(C2=NC=CC(N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020219929	1	36	-1.0	-42.69	323.17	6.08	-36.61
N#CC1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020219930	0	29	-1.0	-35.62	272.08	3.94	-31.68
N#CC1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020219930	1	29	-1.0	-35.63	272.16	3.95	-31.68
N#CC1=CC=C(C(F)(F)F)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219931	0	31	-1.0	-43.59	282.81	3.80	-39.79
N#CC1=CC=C(C(F)(F)F)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219931	1	31	-1.0	-43.53	282.74	3.78	-39.75
N#CC1=CC(Br)=CN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219932	0	28	-1.0	-37.59	265.60	3.20	-34.39
N#CC1=CC(Br)=CN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219932	1	28	-1.0	-37.57	265.53	3.19	-34.38
ClC1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C(I)=C1	REAL300020219933	0	27	-1.0	-37.44	265.19	3.85	-33.59
ClC1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C(I)=C1	REAL300020219933	1	27	-1.0	-37.44	265.12	3.85	-33.59
CC1=CC=NC(N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020219934	0	30	-1.0	-41.17	261.60	3.64	-37.53
CC1=CC=NC(N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020219934	1	30	-1.0	-41.18	261.67	3.65	-37.53
NC1=NC(Cl)=C(Br)C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219935	0	28	-1.0	-36.95	269.26	2.50	-34.45
NC1=NC(Cl)=C(Br)C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219935	1	28	-1.0	-36.90	269.19	2.50	-34.40
C=CCN1N=CC2=C1N=C(N1CCC(C3=N[N-]N=N3)C1)NC2=O	REAL300020219936	0	37	-1.0	-40.67	319.06	5.17	-35.50
C=CCN1N=CC2=C1N=C(N1CCC(C3=NN=N[N-]3)C1)NC2=O	REAL300020219936	1	37	-1.0	-40.73	319.13	5.17	-35.56
C1=CC2=NC(C3CC3)=NC(N3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020219937	0	39	-1.0	-43.08	321.37	6.27	-36.81
C1=CC2=NC(C3CC3)=NC(N3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020219937	1	39	-1.0	-43.10	321.30	6.25	-36.85
CC1=CC(OC2=CC=CC=C2)=NC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219938	0	40	-1.0	-45.19	331.33	5.82	-39.37
CC1=CC(OC2=CC=CC=C2)=NC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219938	1	40	-1.0	-45.16	331.39	5.83	-39.33
O=[N+]([O-])C1=CC(Cl)=C(N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020219939	0	30	-1.0	-34.94	284.49	4.78	-30.16
O=[N+]([O-])C1=CC(Cl)=C(N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020219939	1	30	-1.0	-34.94	284.56	4.79	-30.15
BrC1=CC=CC=C1OC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC=N1	REAL300020219940	0	37	-1.0	-41.45	333.80	4.26	-37.19
BrC1=CC=CC=C1OC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC=N1	REAL300020219940	1	37	-1.0	-41.47	333.72	4.24	-37.23
C1=CC=C(CC2=NSC(N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020219941	0	36	-1.0	-38.90	317.70	4.88	-34.02
C1=CC=C(CC2=NSC(N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020219941	1	36	-1.0	-38.90	317.77	4.89	-34.01
CC(C)N1N=NC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C21	REAL300020219942	0	37	-1.0	-39.98	308.54	3.29	-36.69
CC(C)N1N=NC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C21	REAL300020219942	1	37	-1.0	-39.97	308.47	3.28	-36.69
C1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2N=NN(CC3CC3)C2=N1	REAL300020219943	0	38	-1.0	-39.73	319.34	4.21	-35.52
C1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2N=NN(CC3CC3)C2=N1	REAL300020219943	1	38	-1.0	-39.75	319.26	4.19	-35.56
COC(=O)C1=CC=NC(N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020219944	0	35	-1.0	-45.39	304.47	4.34	-41.05
COC(=O)C1=CC=NC(N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020219944	1	35	-1.0	-45.39	304.39	4.33	-41.06
CC1=NN2C(=C1Br)N=C(C)C=C2N1CCC(C2=N[N-]N=N2)C1	REAL300020219945	0	36	-1.0	-38.83	317.92	6.11	-32.72
CC1=NN2C(=C1Br)N=C(C)C=C2N1CCC(C2=NN=N[N-]2)C1	REAL300020219945	1	36	-1.0	-38.85	317.99	6.12	-32.73
ClC1=CC2=C(C3=CC=CC=C3)N=C(N3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020219946	0	42	-1.0	-44.79	361.57	7.94	-36.85
ClC1=CC2=C(C3=CC=CC=C3)N=C(N3CCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020219946	1	42	-1.0	-44.80	361.50	7.92	-36.88
BrC1=CSC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219947	0	24	-1.0	-35.78	239.01	1.35	-34.43
BrC1=CSC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219947	1	24	-1.0	-35.81	238.94	1.35	-34.46
CC1=NC=NC(N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020219948	0	29	-1.0	-38.46	262.85	3.56	-34.90
CC1=NC=NC(N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020219948	1	29	-1.0	-38.42	262.92	3.56	-34.86
CSC1=NC2=C(Br)C=NN2C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219949	0	33	-1.0	-38.29	315.79	7.70	-30.59
CSC1=NC2=C(Br)C=NN2C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219949	1	33	-1.0	-38.31	315.71	7.68	-30.63
O=[N+]([O-])C1=CC=C(C(F)(F)F)C=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219950	0	33	-1.0	-42.31	297.03	5.91	-36.40
O=[N+]([O-])C1=CC=C(C(F)(F)F)C=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219950	1	33	-1.0	-42.33	297.10	5.91	-36.42
COC(=O)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C(F)(F)F)=C1	REAL300020219951	0	36	-1.0	-42.73	322.72	4.28	-38.45
COC(=O)C1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C(F)(F)F)=C1	REAL300020219951	1	36	-1.0	-42.71	322.65	4.27	-38.44
CC1=NN(C2=CC(N3CCC(C4=NN=N[N-]4)C3)=NC=N2)C(C)=C1Br	REAL300020219952	0	39	-1.0	-40.52	343.48	6.51	-34.01
CC1=NN(C2=CC(N3CCC(C4=N[N-]N=N4)C3)=NC=N2)C(C)=C1Br	REAL300020219952	1	39	-1.0	-40.49	343.41	6.50	-33.99
CC1CCC(OC2=NC=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)CC1	REAL300020219953	0	46	-1.0	-46.10	356.34	3.72	-42.38
CC1CCC(OC2=NC=CC(N3CCC(C4=N[N-]N=N4)C3)=N2)CC1	REAL300020219953	1	46	-1.0	-46.06	356.27	3.71	-42.35
O=[N+]([O-])C1=CC(C(F)(F)F)=C(Cl)C=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219954	0	33	-1.0	-34.78	310.44	6.35	-28.43
O=[N+]([O-])C1=CC(C(F)(F)F)=C(Cl)C=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219954	1	33	-1.0	-34.79	310.52	6.37	-28.42
NC1=NC(NC2=CC=CC=C2)=NC(N2CCC(C3=NN=N[N-]3)C2)=[NH+]1	REAL300020219955	0	40	0.0	-46.39	327.80	8.28	-38.11
NC1=NC(NC2=CC=CC=C2)=NC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219955	1	39	-1.0	-43.27	325.59	7.58	-35.69
NC1=NC(NC2=CC=CC=C2)=NC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219955	1	39	-1.0	-43.25	325.66	7.59	-35.66
ClC1=CC=C2N=C(N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020219956	0	30	-1.0	-36.97	280.57	3.93	-33.04
ClC1=CC=C2N=C(N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020219956	1	30	-1.0	-37.03	280.49	3.91	-33.12
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=NC=C1Br	REAL300020219957	0	29	-1.0	-39.06	263.16	3.46	-35.60
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=NC=C1Br	REAL300020219957	1	29	-1.0	-39.07	263.23	3.46	-35.61
CC(=O)C1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC=C1[N+](=O)[O-]	REAL300020219958	0	34	-1.0	-37.81	291.49	3.90	-33.91
CC(=O)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC=C1[N+](=O)[O-]	REAL300020219958	1	34	-1.0	-37.84	291.56	3.91	-33.93
COC1=CC=C(C2=CC(N3CCC(C4=NN=N[N-]4)C3)=NC=N2)C=C1	REAL300020219959	0	40	-1.0	-38.48	328.02	4.56	-33.92
COC1=CC=C(C2=CC(N3CCC(C4=N[N-]N=N4)C3)=NC=N2)C=C1	REAL300020219959	1	40	-1.0	-38.52	327.94	4.55	-33.97
CS(=O)(=O)C1=NC(N2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=N1	REAL300020219960	0	35	-1.0	-46.23	325.90	-0.06	-46.29
CS(=O)(=O)C1=NC(N2CCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=N1	REAL300020219960	1	35	-1.0	-46.24	325.84	-0.08	-46.32
COC(=O)C1=CC=C2N=C(N3CCC(C4=NN=N[N-]4)C3)OC2=C1	REAL300020219961	0	36	-1.0	-40.87	309.78	1.70	-39.17
COC(=O)C1=CC=C2N=C(N3CCC(C4=N[N-]N=N4)C3)OC2=C1	REAL300020219961	1	36	-1.0	-40.85	309.71	1.69	-39.16
CN1N=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1C(F)(F)F	REAL300020219962	0	33	-1.0	-42.21	300.41	3.17	-39.04
CN1N=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1C(F)(F)F	REAL300020219962	1	33	-1.0	-42.23	300.35	3.16	-39.07
FC(F)(F)C1=NC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020219963	0	31	-1.0	-37.79	293.91	2.69	-35.10
FC(F)(F)C1=NC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020219963	1	31	-1.0	-37.79	293.85	2.68	-35.11
CC1=NC(SC(C)C)=CC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219964	0	39	-1.0	-40.21	325.35	5.19	-35.02
CC1=NC(SC(C)C)=CC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219964	1	39	-1.0	-40.21	325.43	5.19	-35.02
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=NC=C1Br	REAL300020219965	0	29	-1.0	-39.06	263.16	3.46	-35.60
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=NC=C1Br	REAL300020219965	1	29	-1.0	-39.07	263.23	3.46	-35.61
COC(=O)C1=CC2=NC(N3CCC(C4=NN=N[N-]4)C3)=CN=C2C=C1	REAL300020219966	0	38	-1.0	-39.77	321.72	2.69	-37.08
COC(=O)C1=CC2=NC(N3CCC(C4=N[N-]N=N4)C3)=CN=C2C=C1	REAL300020219966	1	38	-1.0	-39.74	321.65	2.68	-37.06
COC(=O)C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219967	0	35	-1.0	-42.76	309.73	4.61	-38.15
COC(=O)C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219967	1	35	-1.0	-42.75	309.66	4.60	-38.15
FC(F)(F)SC1=NN=C(N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020219968	0	27	-1.0	-42.02	277.77	1.88	-40.14
FC(F)(F)SC1=NN=C(N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020219968	1	27	-1.0	-42.03	277.70	1.87	-40.16
CC1(C)CCC2=CC(C#N)=C(N3CCC(C4=NN=N[N-]4)C3)N=C21	REAL300020219969	0	41	-1.0	-45.52	320.75	4.69	-40.83
CC1(C)CCC2=CC(C#N)=C(N3CCC(C4=N[N-]N=N4)C3)N=C21	REAL300020219969	1	41	-1.0	-45.52	320.68	4.68	-40.84
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2C=NN(C3=CC=CC(F)=C3)C2=N1	REAL300020219970	0	42	-1.0	-44.63	354.24	6.44	-38.19
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2C=NN(C3=CC=CC(F)=C3)C2=N1	REAL300020219970	1	42	-1.0	-44.65	354.30	6.46	-38.19
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C(Br)C=C1[N+](=O)[O-]	REAL300020219971	0	32	-1.0	-36.69	290.13	4.25	-32.44
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C(Br)C=C1[N+](=O)[O-]	REAL300020219971	1	32	-1.0	-36.71	290.21	4.27	-32.44
O=[N+]([O-])C1=CC2=NC=C(N3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020219972	0	34	-1.0	-40.31	296.22	3.42	-36.89
O=[N+]([O-])C1=CC2=NC=C(N3CCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020219972	1	34	-1.0	-40.28	296.15	3.40	-36.88
CC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(S(C)(=O)=O)=N1	REAL300020219973	0	35	-1.0	-50.02	306.88	-0.55	-50.57
CC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(S(C)(=O)=O)=N1	REAL300020219973	1	35	-1.0	-50.00	306.94	-0.54	-50.54
COC1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C(F)(F)F)=N1	REAL300020219974	0	33	-1.0	-40.60	296.05	1.03	-39.57
COC1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C(F)(F)F)=N1	REAL300020219974	1	33	-1.0	-40.62	295.98	1.02	-39.60
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C(Br)C=C1[N+](=O)[O-]	REAL300020219975	0	32	-1.0	-36.69	290.13	4.25	-32.44
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C(Br)C=C1[N+](=O)[O-]	REAL300020219975	1	32	-1.0	-36.71	290.21	4.27	-32.44
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C(Cl)C=C1[N+](=O)[O-]	REAL300020219976	0	32	-1.0	-36.77	286.66	4.17	-32.60
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C(Cl)C=C1[N+](=O)[O-]	REAL300020219976	1	32	-1.0	-36.79	286.74	4.20	-32.59
CS(=O)(=O)C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020219977	0	33	-1.0	-46.80	300.54	0.30	-46.50
CS(=O)(=O)C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020219977	1	33	-1.0	-46.85	300.47	0.30	-46.55
CSC1=NC(N2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=N1	REAL300020219978	0	33	-1.0	-40.30	305.33	3.75	-36.55
CSC1=NC(N2CCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=N1	REAL300020219978	1	33	-1.0	-40.30	305.26	3.73	-36.57
O=[N+]([O-])C1=CC=C(OC(F)F)C=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219979	0	34	-1.0	-44.77	297.53	4.49	-40.28
O=[N+]([O-])C1=CC=C(OC(F)F)C=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219979	1	34	-1.0	-44.77	297.60	4.49	-40.28
COC(=O)C1=CC(C)=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020219980	0	39	-1.0	-43.58	319.29	5.70	-37.88
COC(=O)C1=CC(C)=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020219980	1	39	-1.0	-43.60	319.36	5.71	-37.89
C1=C(N2CCOCC2)C=C2C(=C1)N=CN=C2N1CCC(C2=NN=N[N-]2)C1	REAL300020219981	0	45	-1.0	-43.35	347.27	3.04	-40.31
C1=C(N2CCOCC2)C=C2C(=C1)N=CN=C2N1CCC(C2=N[N-]N=N2)C1	REAL300020219981	1	45	-1.0	-43.37	347.20	3.04	-40.33
CC(C)(C)OC(=O)C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CNC2=N1	REAL300020219982	0	45	-1.0	-48.77	363.60	6.94	-41.83
CC(C)(C)OC(=O)C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CNC2=N1	REAL300020219982	1	45	-1.0	-48.79	363.67	6.97	-41.82
COC(=O)CN1N=NC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C21	REAL300020219983	0	37	-1.0	-45.31	322.10	2.86	-42.45
COC(=O)CN1N=NC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C21	REAL300020219983	1	37	-1.0	-45.25	322.03	2.83	-42.42
BrC1=C2OC(N3CCC(C4=NN=N[N-]4)C3)=NC2=CC=C1	REAL300020219984	0	30	-1.0	-42.96	277.14	0.99	-41.97
BrC1=C2OC(N3CCC(C4=N[N-]N=N4)C3)=NC2=CC=C1	REAL300020219984	1	30	-1.0	-42.98	277.08	0.97	-42.01
CC1=CC=C(Br)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219985	0	30	-1.0	-41.95	269.48	3.91	-38.04
CC1=CC=C(Br)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219985	1	30	-1.0	-41.93	269.41	3.90	-38.03
ClC1=NC(NC2CC2)=CC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219986	0	35	-1.0	-42.43	305.93	3.28	-39.15
ClC1=NC(NC2CC2)=CC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219986	1	35	-1.0	-42.39	305.86	3.27	-39.12
CC(C)C1=NC=C(Br)C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219987	0	35	-1.0	-39.03	307.64	4.11	-34.92
CC(C)C1=NC=C(Br)C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219987	1	35	-1.0	-39.07	307.71	4.11	-34.96
ClC1=C(I)C=CN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020219988	0	27	-1.0	-38.46	265.43	3.99	-34.47
ClC1=C(I)C=CN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020219988	1	27	-1.0	-38.44	265.36	3.97	-34.47
ClC1=CC=CC(CN2N=CC3=C(N4CCC(C5=NN=N[N-]5)C4)N=CN=C32)=C1	REAL300020219989	0	42	-1.0	-42.97	368.01	7.31	-35.66
ClC1=CC=CC(CN2N=CC3=C(N4CCC(C5=N[N-]N=N5)C4)N=CN=C32)=C1	REAL300020219989	1	42	-1.0	-42.93	367.94	7.31	-35.62
CCC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C2SC=C(C)C2=N1	REAL300020219990	0	38	-1.0	-43.00	320.84	4.53	-38.47
CCC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C2SC=C(C)C2=N1	REAL300020219990	1	38	-1.0	-42.98	320.77	4.52	-38.46
CC(C)(C)C1=NC=C(I)C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020219991	0	38	-1.0	-38.53	332.63	5.41	-33.12
CC(C)(C)C1=NC=C(I)C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020219991	1	38	-1.0	-38.53	332.56	5.41	-33.12
BrC1=CC2=NC=C(N3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020219992	0	32	-1.0	-40.29	289.46	3.36	-36.93
BrC1=CC2=NC=C(N3CCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020219992	1	32	-1.0	-40.32	289.38	3.35	-36.97
ClC1=CC=C2SC(N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020219993	0	30	-1.0	-36.79	280.54	3.93	-32.86
ClC1=CC=C2SC(N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020219993	1	30	-1.0	-36.76	280.46	3.91	-32.85
BrC1=CC=C2N=C(N3CCC(C4=NN=N[N-]4)C3)OC2=C1	REAL300020219994	0	30	-1.0	-38.53	276.48	1.68	-36.85
BrC1=CC=C2N=C(N3CCC(C4=N[N-]N=N4)C3)OC2=C1	REAL300020219994	1	30	-1.0	-38.50	276.41	1.68	-36.82
CC1=NC(C2CC2)=NC(N2CCC(C3=N[N-]N=N3)C2)=C1I	REAL300020219995	0	36	-1.0	-40.40	313.97	5.38	-35.02
CC1=NC(C2CC2)=NC(N2CCC(C3=NN=N[N-]3)C2)=C1I	REAL300020219995	1	36	-1.0	-40.40	314.05	5.40	-35.00
BrC1=CSC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020219996	0	29	-1.0	-39.91	278.92	4.87	-35.04
BrC1=CSC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020219996	1	29	-1.0	-39.88	278.83	4.87	-35.01
CC1=CSC2=C(N3CCC(C4=NN=N[N-]4)C3)N=C(C)N=C12	REAL300020219997	0	35	-1.0	-43.13	299.35	3.92	-39.21
CC1=CSC2=C(N3CCC(C4=N[N-]N=N4)C3)N=C(C)N=C12	REAL300020219997	1	35	-1.0	-43.11	299.29	3.90	-39.21
CC1=CSC2=C(N3CCC(C4=NN=N[N-]4)C3)N=C(C3CC3)N=C12	REAL300020219998	0	39	-1.0	-39.01	324.62	4.94	-34.07
CC1=CSC2=C(N3CCC(C4=N[N-]N=N4)C3)N=C(C3CC3)N=C12	REAL300020219998	1	39	-1.0	-39.03	324.55	4.92	-34.11
BrC1=CC=CC2=NC(N3CCC(C4=NN=N[N-]4)C3)=CN=C12	REAL300020219999	0	32	-1.0	-41.29	288.16	2.64	-38.65
BrC1=CC=CC2=NC(N3CCC(C4=N[N-]N=N4)C3)=CN=C12	REAL300020219999	1	32	-1.0	-41.30	288.09	2.64	-38.66
CSC1=CC=CC(N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020220000	0	34	-1.0	-49.62	302.18	5.13	-44.49
CSC1=CC=CC(N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020220000	1	34	-1.0	-49.61	302.11	5.12	-44.49
C[N@@H+]1CCC2=NC(N3CCC(C4=N[N-]N=N4)C3)=C(C#N)C=C2C1	REAL300020220001	0	41	0.0	-78.94	322.20	3.93	-75.01
C[N@H+]1CCC2=NC(N3CCC(C4=N[N-]N=N4)C3)=C(C#N)C=C2C1	REAL300020220001	1	41	0.0	-75.50	324.67	5.04	-70.46
C[N@@H+]1CCC2=NC(N3CCC(C4=NN=N[N-]4)C3)=C(C#N)C=C2C1	REAL300020220001	1	41	0.0	-78.93	322.27	3.93	-75.00
C[N@H+]1CCC2=NC(N3CCC(C4=NN=N[N-]4)C3)=C(C#N)C=C2C1	REAL300020220001	1	41	0.0	-75.55	324.75	5.06	-70.49
N#CC1=CC2=C(CCS(=O)(=O)C2)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220002	0	38	-1.0	-48.00	326.41	1.14	-46.86
N#CC1=CC2=C(CCS(=O)(=O)C2)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220002	1	38	-1.0	-47.99	326.48	1.14	-46.85
CCOC(=O)C1=CN=C(C)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220003	0	38	-1.0	-43.48	320.40	4.51	-38.97
CCOC(=O)C1=CN=C(C)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220003	1	38	-1.0	-43.46	320.47	4.52	-38.94
FC(F)(F)C1=NC(N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020220004	0	30	-1.0	-35.74	278.55	3.21	-32.53
FC(F)(F)C1=NC(N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020220004	1	30	-1.0	-35.73	278.47	3.19	-32.54
FC(F)(F)C1=CC(N2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=CC=C2)=N1	REAL300020220005	0	39	-1.0	-40.88	342.54	6.56	-34.32
FC(F)(F)C1=CC(N2CCC(C3=N[N-]N=N3)C2)=NC(C2=CC=CC=C2)=N1	REAL300020220005	1	39	-1.0	-40.92	342.47	6.55	-34.37
CCOC(=O)C1=C2N=C(C)C=C(N3CCC(C4=N[N-]N=N4)C3)N2N=C1	REAL300020220006	0	42	-1.0	-42.82	353.22	6.59	-36.23
CCOC(=O)C1=C2N=C(C)C=C(N3CCC(C4=NN=N[N-]4)C3)N2N=C1	REAL300020220006	1	42	-1.0	-42.83	353.29	6.60	-36.23
FC(F)(F)C1=NC(N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020220007	0	30	-1.0	-35.74	278.55	3.21	-32.53
FC(F)(F)C1=NC(N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020220007	1	30	-1.0	-35.73	278.47	3.19	-32.54
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC(OC(F)(F)F)=C2N=C1	REAL300020220008	0	39	-1.0	-45.08	334.95	4.52	-40.56
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC(OC(F)(F)F)=C2N=C1	REAL300020220008	1	39	-1.0	-45.04	334.89	4.50	-40.54
COC(=O)C1=CC=C2SC(N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020220009	0	36	-1.0	-39.75	318.42	4.03	-35.72
COC(=O)C1=CC=C2SC(N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020220009	1	36	-1.0	-39.77	318.35	4.02	-35.75
CCCCC1=NC2=NC=NN2C(N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220010	0	41	-1.0	-39.26	333.50	9.57	-29.69
CCCCC1=NC2=NC=NN2C(N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220010	1	41	-1.0	-39.20	333.57	9.59	-29.61
FC1=C(F)C=C2SC(N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020220011	0	30	-1.0	-38.75	279.25	3.65	-35.10
FC1=C(F)C=C2SC(N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020220011	1	30	-1.0	-38.76	279.18	3.63	-35.13
O=C1NCCC2=CC(N3CCC(C4=N[N-]N=N4)C3)=C([N+](=O)[O-])C=C12	REAL300020220012	0	38	-1.0	-42.98	317.99	3.38	-39.60
O=C1NCCC2=CC(N3CCC(C4=NN=N[N-]4)C3)=C([N+](=O)[O-])C=C12	REAL300020220012	1	38	-1.0	-43.00	318.07	3.40	-39.60
CC1=CC(C)=CC(N2N=CC3=C(N4CCC(C5=NN=N[N-]5)C4)N=CN=C32)=C1	REAL300020220013	0	45	-1.0	-43.97	369.76	7.74	-36.23
CC1=CC(C)=CC(N2N=CC3=C(N4CCC(C5=N[N-]N=N5)C4)N=CN=C32)=C1	REAL300020220013	1	45	-1.0	-43.98	369.69	7.74	-36.24
FC1=C(Br)C=C2N=C(N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020220014	0	30	-1.0	-38.30	293.52	4.18	-34.12
FC1=C(Br)C=C2N=C(N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020220014	1	30	-1.0	-38.32	293.45	4.17	-34.15
O=C1C=C(N2CCC(C3=N[N-]N=N3)C2)NC(=O)N1CC1=CC=CC=C1	REAL300020220015	0	41	-1.0	-38.34	341.57	5.68	-32.66
O=C1C=C(N2CCC(C3=NN=N[N-]3)C2)NC(=O)N1CC1=CC=CC=C1	REAL300020220015	1	41	-1.0	-38.32	341.64	5.70	-32.62
O=[N+]([O-])C1=CC=C(I)C=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220016	0	30	-1.0	-41.84	286.09	6.01	-35.83
O=[N+]([O-])C1=CC=C(I)C=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220016	1	30	-1.0	-41.81	286.16	6.01	-35.80
COC1=CC=C2N=C(N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020220017	0	34	-1.0	-42.79	294.50	3.10	-39.69
COC1=CC=C2N=C(N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020220017	1	34	-1.0	-42.78	294.43	3.08	-39.70
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)N=C2C=C(Cl)C=CN21	REAL300020220018	0	33	-1.0	-42.50	306.38	6.61	-35.89
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)N=C2C=C(Cl)C=CN21	REAL300020220018	1	33	-1.0	-42.50	306.30	6.59	-35.91
COC(=O)C1=CC(Cl)=NN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220019	0	32	-1.0	-43.49	294.12	3.14	-40.35
COC(=O)C1=CC(Cl)=NN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220019	1	32	-1.0	-43.45	294.05	3.13	-40.32
CCOC1=CC=C2N=C(N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020220020	0	37	-1.0	-42.51	316.36	4.02	-38.49
CCOC1=CC=C2N=C(N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020220020	1	37	-1.0	-42.52	316.29	4.01	-38.51
COC(=O)C1=CC=C2N=C(N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020220021	0	36	-1.0	-42.04	319.63	4.45	-37.59
COC(=O)C1=CC=C2N=C(N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020220021	1	36	-1.0	-42.04	319.55	4.43	-37.61
NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220022	0	35	-1.0	-45.37	321.74	-1.10	-46.47
NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220022	1	35	-1.0	-45.34	321.67	-1.11	-46.45
COC(=O)C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CNC2=N1	REAL300020220023	0	36	-1.0	-48.90	310.91	4.88	-44.02
COC(=O)C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CNC2=N1	REAL300020220023	1	36	-1.0	-48.92	310.84	4.87	-44.05
FC1=C2N=C(N3CCC(C4=NN=N[N-]4)C3)SC2=CC(Br)=C1	REAL300020220024	0	30	-1.0	-42.38	294.61	4.22	-38.16
FC1=C2N=C(N3CCC(C4=N[N-]N=N4)C3)SC2=CC(Br)=C1	REAL300020220024	1	30	-1.0	-42.39	294.53	4.19	-38.20
FC1=C(Br)C=C2SC(N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020220025	0	30	-1.0	-38.69	293.54	4.18	-34.51
FC1=C(Br)C=C2SC(N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020220025	1	30	-1.0	-38.67	293.47	4.17	-34.50
NC(=O)C1=CC=C([N+](=O)[O-])C(N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220026	0	34	-1.0	-51.11	292.86	1.71	-49.40
NC(=O)C1=CC=C([N+](=O)[O-])C(N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220026	1	34	-1.0	-51.07	292.79	1.71	-49.36
N#CC1=CC2=C(CCCC2=O)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220027	0	37	-1.0	-40.00	309.25	4.17	-35.83
N#CC1=CC2=C(CCCC2=O)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220027	1	37	-1.0	-39.97	309.32	4.18	-35.79
CC1=NN(C)C2=NC(N3CCC(C4=NN=N[N-]4)C3)=C(C#N)C=C12	REAL300020220028	0	37	-1.0	-43.91	314.44	4.33	-39.58
CC1=NN(C)C2=NC(N3CCC(C4=N[N-]N=N4)C3)=C(C#N)C=C12	REAL300020220028	1	37	-1.0	-43.86	314.37	4.32	-39.54
COC(=O)C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2N1C	REAL300020220029	0	39	-1.0	-42.86	326.40	5.43	-37.43
COC(=O)C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2N1C	REAL300020220029	1	39	-1.0	-42.84	326.32	5.41	-37.43
CC1=CC(C(F)(F)F)=C(C#N)C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020220030	0	34	-1.0	-41.17	301.00	4.19	-36.98
CC1=CC(C(F)(F)F)=C(C#N)C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020220030	1	34	-1.0	-41.14	301.07	4.20	-36.94
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC(Br)=C2N=C1	REAL300020220031	0	35	-1.0	-46.03	309.59	5.40	-40.63
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC(Br)=C2N=C1	REAL300020220031	1	35	-1.0	-45.99	309.52	5.39	-40.60
FC(F)(F)C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2C=C1	REAL300020220032	0	35	-1.0	-40.01	302.08	5.36	-34.65
FC(F)(F)C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2C=C1	REAL300020220032	1	35	-1.0	-39.95	302.00	5.34	-34.61
BrC1=CC=C2N=C(N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020220033	0	30	-1.0	-36.88	285.13	4.03	-32.85
BrC1=CC=C2N=C(N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020220033	1	30	-1.0	-36.88	285.05	4.02	-32.86
COC(=O)C1=C(Br)C2=C(N3CCC(C4=N[N-]N=N4)C3)N=CNC2=N1	REAL300020220034	0	36	-1.0	-51.28	332.36	5.81	-45.47
COC(=O)C1=C(Br)C2=C(N3CCC(C4=NN=N[N-]4)C3)N=CNC2=N1	REAL300020220034	1	36	-1.0	-51.31	332.43	5.82	-45.49
FC(F)(F)C1=CN=C(N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020220035	0	30	-1.0	-38.77	281.29	3.97	-34.80
FC(F)(F)C1=CN=C(N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020220035	1	30	-1.0	-38.76	281.22	3.96	-34.80
CC1=NC(N2CCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1Br	REAL300020220036	0	32	-1.0	-38.76	294.61	5.11	-33.65
CC1=NC(N2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1Br	REAL300020220036	1	32	-1.0	-38.75	294.68	5.13	-33.62
COC1=CC=C2N=C(N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020220037	0	33	-1.0	-39.67	290.32	-0.17	-39.84
COC1=CC=C2N=C(N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020220037	1	33	-1.0	-39.62	290.25	-0.17	-39.79
O=[N+]([O-])C1=CC=C2N=C(N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020220038	0	32	-1.0	-39.50	293.18	4.47	-35.03
O=[N+]([O-])C1=CC=C2N=C(N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020220038	1	32	-1.0	-39.46	293.10	4.46	-35.00
FC1=CC(C(F)(F)F)=CN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220039	0	30	-1.0	-39.55	270.28	3.42	-36.13
FC1=CC(C(F)(F)F)=CN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220039	1	30	-1.0	-39.55	270.21	3.40	-36.15
FC(F)C1=NC2=CC=C(Br)C=C2C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020220040	0	35	-1.0	-42.39	318.23	5.25	-37.14
FC(F)C1=NC2=CC=C(Br)C=C2C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020220040	1	35	-1.0	-42.38	318.30	5.26	-37.12
NC(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020220041	0	34	-1.0	-51.08	292.71	1.71	-49.37
NC(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020220041	1	34	-1.0	-51.02	292.63	1.70	-49.32
COC(=O)C1=C(C)C2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020220042	0	38	-1.0	-40.09	328.26	5.90	-34.19
COC(=O)C1=C(C)C2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020220042	1	38	-1.0	-40.12	328.34	5.90	-34.22
BrC1=CC2=CC=CC=C2N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220043	0	33	-1.0	-44.66	289.10	5.22	-39.44
BrC1=CC2=CC=CC=C2N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220043	1	33	-1.0	-44.66	289.03	5.19	-39.47
IC1=CSC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020220044	0	29	-1.0	-39.46	283.39	5.46	-34.00
IC1=CSC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020220044	1	29	-1.0	-39.42	283.31	5.45	-33.97
CN(C)C1=NC=NC(N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020220045	0	36	-1.0	-43.87	297.98	2.40	-41.47
CN(C)C1=NC=NC(N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020220045	1	36	-1.0	-43.87	297.91	2.39	-41.48
CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220046	0	35	-1.0	-42.03	293.07	5.70	-36.33
CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220046	1	35	-1.0	-42.01	293.15	5.71	-36.30
FC1=C(Br)C=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C12	REAL300020220047	0	32	-1.0	-39.30	295.87	5.28	-34.02
FC1=C(Br)C=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C12	REAL300020220047	1	32	-1.0	-39.31	295.80	5.27	-34.04
CC1=CC(C)=C(C(F)(F)F)C(N2CCC(C3=NN=N[N-]3)C2)=[NH+]1	REAL300020220048	0	37	0.0	-51.20	305.21	5.96	-45.24
CCOC(=O)C1=C(Br)SC(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020220049	0	33	-1.0	-40.54	316.09	3.33	-37.21
CCOC(=O)C1=C(Br)SC(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020220049	1	33	-1.0	-40.60	316.01	3.31	-37.29
CC1=C(N2CCC(C3=N[N-]N=N3)C2)C=CC([N+](=O)[O-])=C1[N+](=O)[O-]	REAL300020220050	0	35	-1.0	-42.09	296.55	5.60	-36.49
CC1=C(N2CCC(C3=NN=N[N-]3)C2)C=CC([N+](=O)[O-])=C1[N+](=O)[O-]	REAL300020220050	1	35	-1.0	-42.07	296.62	5.61	-36.46
IC1=CNC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020220051	0	30	-1.0	-42.69	282.23	4.52	-38.17
IC1=CNC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020220051	1	30	-1.0	-42.72	282.30	4.53	-38.19
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC(OC(F)F)=C2N=C1	REAL300020220052	0	39	-1.0	-47.39	328.21	4.31	-43.08
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC(OC(F)F)=C2N=C1	REAL300020220052	1	39	-1.0	-47.39	328.14	4.29	-43.10
COC(=O)C1=NC2=C(CCC2)C(N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020220053	0	39	-1.0	-48.09	325.70	3.95	-44.14
COC(=O)C1=NC2=C(CCC2)C(N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020220053	1	39	-1.0	-48.09	325.78	3.97	-44.12
O=C1C=C(N2CCC(C3=N[N-]N=N3)C2)NC(=O)N1CC1=CC=C(F)C=C1	REAL300020220054	0	41	-1.0	-37.22	347.98	5.75	-31.47
O=C1C=C(N2CCC(C3=NN=N[N-]3)C2)NC(=O)N1CC1=CC=C(F)C=C1	REAL300020220054	1	41	-1.0	-37.26	348.05	5.77	-31.49
N#CC1=CC([N+](=O)[O-])=C(N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020220055	0	31	-1.0	-35.88	297.95	5.72	-30.16
N#CC1=CC([N+](=O)[O-])=C(N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020220055	1	31	-1.0	-35.90	298.02	5.72	-30.18
CC1=C2N=C(Cl)C=C(N3CCC(C4=NN=N[N-]4)C3)N2N=C1	REAL300020220056	0	33	-1.0	-37.89	292.45	5.42	-32.47
CC1=C2N=C(Cl)C=C(N3CCC(C4=N[N-]N=N4)C3)N2N=C1	REAL300020220056	1	33	-1.0	-37.86	292.37	5.41	-32.45
CC1=NN(C(C)C)C(N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020220057	0	39	-1.0	-45.16	317.23	4.07	-41.09
CC1=NN(C(C)C)C(N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020220057	1	39	-1.0	-45.18	317.30	4.07	-41.11
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC=C(C(F)(F)F)C=C2N=C1	REAL300020220059	0	38	-1.0	-34.76	328.32	5.75	-29.01
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC=C(C(F)(F)F)C=C2N=C1	REAL300020220059	1	38	-1.0	-34.77	328.24	5.74	-29.03
O=[N+]([O-])C1=C(N2CCC(C3=NN=N[N-]3)C2)N(C2=CC=CC=C2)N=C1	REAL300020220060	0	37	-1.0	-44.03	308.68	5.72	-38.31
O=[N+]([O-])C1=C(N2CCC(C3=N[N-]N=N3)C2)N(C2=CC=CC=C2)N=C1	REAL300020220060	1	37	-1.0	-44.00	308.60	5.72	-38.28
NS(=O)(=O)C1=CC=CC(N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020220061	0	35	-1.0	-58.33	305.66	-0.80	-59.13
NS(=O)(=O)C1=CC=CC(N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020220061	1	35	-1.0	-58.32	305.72	-0.78	-59.10
COC(=O)C1=C2N=C(N3CCC(C4=NN=N[N-]4)C3)OC2=CC=C1	REAL300020220062	0	36	-1.0	-49.93	310.04	1.22	-48.71
COC(=O)C1=C2N=C(N3CCC(C4=N[N-]N=N4)C3)OC2=CC=C1	REAL300020220062	1	36	-1.0	-49.90	309.97	1.21	-48.69
CC1=C(Br)C=CC(N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020220063	0	33	-1.0	-37.04	300.85	5.32	-31.72
CC1=C(Br)C=CC(N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020220063	1	33	-1.0	-37.05	300.93	5.34	-31.71
N#CC1=C(F)C=C(Br)C=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220064	0	29	-1.0	-34.61	274.16	3.88	-30.73
N#CC1=C(F)C=C(Br)C=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220064	1	29	-1.0	-34.60	274.24	3.89	-30.71
CC1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2C(Br)=C1	REAL300020220065	0	35	-1.0	-40.45	310.98	5.99	-34.46
CC1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2C(Br)=C1	REAL300020220065	1	35	-1.0	-40.44	310.91	5.98	-34.46
COC1=C(F)C=C(F)C(N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020220066	0	34	-1.0	-38.17	302.88	3.47	-34.70
COC1=C(F)C=C(F)C(N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020220066	1	34	-1.0	-38.16	302.95	3.49	-34.67
C1=CC=C(CCC2=NC=CC(N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020220067	0	42	-1.0	-43.38	347.04	6.56	-36.82
C1=CC=C(CCC2=NC=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020220067	1	42	-1.0	-43.38	347.11	6.58	-36.80
C1=CC=C(CCC2=[NH+]C=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020220067	1	43	0.0	-53.26	348.31	6.54	-46.72
C1=CC=C(OC2=CC(N3CCC(C4=NN=N[N-]4)C3)=NC=N2)C=C1	REAL300020220068	0	37	-1.0	-40.67	313.36	3.70	-36.97
C1=CC=C(OC2=CC(N3CCC(C4=N[N-]N=N4)C3)=NC=N2)C=C1	REAL300020220068	1	37	-1.0	-40.63	313.29	3.69	-36.94
N#CC1=CC=C(N2CCC(C3=NN=N[N-]3)C2)N=C1C(F)(F)F	REAL300020220069	0	31	-1.0	-36.74	283.21	2.94	-33.80
N#CC1=CC=C(N2CCC(C3=N[N-]N=N3)C2)N=C1C(F)(F)F	REAL300020220069	1	31	-1.0	-36.70	283.14	2.92	-33.78
NS(=O)(=O)C1=CC(F)=C(Cl)C=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220070	0	33	-1.0	-42.23	308.14	-0.57	-42.80
NS(=O)(=O)C1=CC(F)=C(Cl)C=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220070	1	33	-1.0	-42.28	308.21	-0.56	-42.84
FC(F)(F)C1=CC(Cl)=CN=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220071	0	30	-1.0	-37.92	283.17	4.36	-33.56
FC(F)(F)C1=CC(Cl)=CN=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220071	1	30	-1.0	-37.91	283.10	4.36	-33.55
CC(=O)C1=CC=C(N2CCC(C3=N[N-]N=N3)C2)N=C1C(F)(F)F	REAL300020220072	0	35	-1.0	-41.93	299.48	3.31	-38.62
CC(=O)C1=CC=C(N2CCC(C3=NN=N[N-]3)C2)N=C1C(F)(F)F	REAL300020220072	1	35	-1.0	-41.93	299.55	3.33	-38.60
CC1(C2=NC(Cl)=CC(N3CCC(C4=NN=N[N-]4)C3)=N2)CC1	REAL300020220073	0	36	-1.0	-38.90	313.03	4.68	-34.22
CC1(C2=NC(Cl)=CC(N3CCC(C4=N[N-]N=N4)C3)=N2)CC1	REAL300020220073	1	36	-1.0	-38.91	312.95	4.67	-34.24
BrC1=CC=CC2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020220074	0	32	-1.0	-42.83	285.09	6.57	-36.26
BrC1=CC=CC2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020220074	1	32	-1.0	-42.87	285.02	6.55	-36.32
COC1=CC2=CC(C#N)=C(N3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020220075	0	38	-1.0	-42.44	320.22	4.22	-38.22
COC1=CC2=CC(C#N)=C(N3CCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020220075	1	38	-1.0	-42.48	320.15	4.20	-38.28
CC1CCC2=CC(C#N)=C(N3CCC(C4=N[N-]N=N4)C3)N=C2C1	REAL300020220076	0	41	-1.0	-44.26	327.26	5.73	-38.53
CC1CCC2=CC(C#N)=C(N3CCC(C4=NN=N[N-]4)C3)N=C2C1	REAL300020220076	1	41	-1.0	-44.28	327.33	5.75	-38.53
CC1=C(C)N(CC2=CC=CC=C2)C2=NC=NC(N3CCC(C4=N[N-]N=N4)C3)=C12	REAL300020220077	0	49	-1.0	-46.64	395.42	10.12	-36.52
CC1=C(C)N(CC2=CC=CC=C2)C2=NC=NC(N3CCC(C4=NN=N[N-]4)C3)=C12	REAL300020220077	1	49	-1.0	-46.65	395.49	10.13	-36.52
IC1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CNC2=N1	REAL300020220078	0	30	-1.0	-44.07	280.08	5.24	-38.83
IC1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CNC2=N1	REAL300020220078	1	30	-1.0	-44.05	280.16	5.27	-38.78
BrC1=CN=C2SC(N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020220079	0	29	-1.0	-37.39	279.99	2.12	-35.27
BrC1=CN=C2SC(N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020220079	1	29	-1.0	-37.41	279.91	2.09	-35.32
CCOC(=O)C1=CN=C(C(C)C)N=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220080	0	44	-1.0	-42.11	361.47	5.80	-36.31
CCOC(=O)C1=CN=C(C(C)C)N=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220080	1	44	-1.0	-42.11	361.54	5.80	-36.31
O=[N+]([O-])C1=CC(Br)=C(Cl)C=C1N1CCC(C2=N[N-]N=N2)C1	REAL300020220081	0	30	-1.0	-35.19	294.71	6.01	-29.18
O=[N+]([O-])C1=CC(Br)=C(Cl)C=C1N1CCC(C2=NN=N[N-]2)C1	REAL300020220081	1	30	-1.0	-35.20	294.78	6.03	-29.17
O=[N+]([O-])C1=CC2=C(N3CCC(C4=NN=N[N-]4)C3)N=CN=C2C=C1Br	REAL300020220082	0	34	-1.0	-37.91	307.23	5.50	-32.41
O=[N+]([O-])C1=CC2=C(N3CCC(C4=N[N-]N=N4)C3)N=CN=C2C=C1Br	REAL300020220082	1	34	-1.0	-37.89	307.15	5.48	-32.41
O=S(=O)(C1=CC=CC=C1N1CCC(C2=N[N-]N=N2)C1)C(F)(F)Cl	REAL300020220083	0	34	-1.0	-39.43	320.27	3.39	-36.04
O=S(=O)(C1=CC=CC=C1N1CCC(C2=NN=N[N-]2)C1)C(F)(F)Cl	REAL300020220083	1	34	-1.0	-39.42	320.35	3.41	-36.01
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220084	0	40	-1.0	-40.84	338.37	2.81	-38.03
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220084	1	40	-1.0	-40.86	338.44	2.81	-38.05
O=S(=O)(C1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220085	0	31	-1.0	-39.98	300.07	2.53	-37.45
O=S(=O)(C1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220085	1	31	-1.0	-40.00	300.14	2.54	-37.46
O=S(=O)(C1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220086	0	34	-1.0	-42.15	315.03	2.70	-39.45
O=S(=O)(C1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220086	1	34	-1.0	-42.15	315.10	2.72	-39.43
O=S(=O)(C=CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220087	0	35	-1.0	-42.73	308.38	2.87	-39.86
O=S(=O)(C=CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220087	1	35	-1.0	-42.70	308.45	2.88	-39.82
O=S(=O)(C1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220088	0	34	-1.0	-41.60	304.73	3.15	-38.45
O=S(=O)(C1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220088	1	34	-1.0	-41.62	304.80	3.15	-38.47
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220089	0	34	-1.0	-39.81	322.09	3.01	-36.80
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220089	1	34	-1.0	-39.82	322.16	3.02	-36.80
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220090	0	36	-1.0	-45.81	316.98	2.07	-43.74
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220090	1	36	-1.0	-45.85	317.06	2.08	-43.77
CC1=CC=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220091	0	37	-1.0	-39.95	305.06	2.81	-37.14
CC1=CC=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220091	1	37	-1.0	-39.99	305.13	2.82	-37.17
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020220092	0	37	-1.0	-41.71	314.63	2.86	-38.85
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020220092	1	37	-1.0	-41.72	314.70	2.86	-38.86
O=S(=O)(C1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220093	0	31	-1.0	-38.09	298.81	2.22	-35.87
O=S(=O)(C1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220093	1	31	-1.0	-38.10	298.88	2.23	-35.87
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220094	0	36	-1.0	-45.08	317.48	2.05	-43.03
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220094	1	36	-1.0	-45.08	317.55	2.06	-43.02
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020220095	0	37	-1.0	-41.14	305.40	2.82	-38.32
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020220095	1	37	-1.0	-41.14	305.47	2.82	-38.32
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220096	0	37	-1.0	-47.80	323.37	3.49	-44.31
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220096	1	37	-1.0	-47.80	323.44	3.49	-44.31
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220097	0	40	-1.0	-42.08	353.10	3.27	-38.81
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220097	1	40	-1.0	-42.07	353.18	3.27	-38.80
O=S(=O)(C1=CC=CC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220098	0	31	-1.0	-43.75	298.52	2.46	-41.29
O=S(=O)(C1=CC=CC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220098	1	31	-1.0	-43.74	298.60	2.48	-41.26
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020220099	0	37	-1.0	-42.37	331.73	2.40	-39.97
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020220099	1	37	-1.0	-42.35	331.80	2.40	-39.95
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220100	0	43	-1.0	-43.90	351.95	3.97	-39.93
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220100	1	43	-1.0	-43.91	352.02	3.99	-39.92
CC(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220101	0	40	-1.0	-43.95	335.97	3.58	-40.37
CC(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220101	1	40	-1.0	-43.98	336.04	3.59	-40.39
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220102	0	42	-1.0	-47.75	371.34	-0.35	-48.10
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220102	1	42	-1.0	-47.78	371.42	-0.34	-48.12
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220103	0	41	-1.0	-48.36	357.64	0.67	-47.69
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220103	1	41	-1.0	-48.36	357.71	0.68	-47.68
O=S(=O)(C1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220104	0	31	-1.0	-43.00	298.76	2.96	-40.04
O=S(=O)(C1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220104	1	31	-1.0	-43.03	298.83	2.97	-40.06
O=S(=O)(C1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220105	0	28	-1.0	-37.78	284.94	1.32	-36.46
O=S(=O)(C1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220105	1	28	-1.0	-37.80	285.01	1.33	-36.47
CCCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220106	0	40	-1.0	-44.02	340.13	3.87	-40.15
CCCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220106	1	40	-1.0	-44.04	340.21	3.88	-40.16
COC1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220107	0	35	-1.0	-42.40	300.02	1.52	-40.88
COC1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220107	1	35	-1.0	-42.40	300.09	1.53	-40.87
O=S(=O)(C1=CC=C(Br)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220108	0	31	-1.0	-40.61	304.01	2.57	-38.04
O=S(=O)(C1=CC=C(Br)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220108	1	31	-1.0	-40.62	304.08	2.58	-38.04
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020220109	0	35	-1.0	-40.15	326.13	1.62	-38.53
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020220109	1	35	-1.0	-40.17	326.21	1.63	-38.54
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220110	0	42	-1.0	-53.43	356.02	0.42	-53.01
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220110	1	42	-1.0	-53.42	356.09	0.42	-53.00
O=S(=O)(C1=CC=C(F)C(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220111	0	31	-1.0	-39.44	290.01	1.71	-37.73
O=S(=O)(C1=CC=C(F)C(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220111	1	31	-1.0	-39.45	290.08	1.71	-37.74
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220112	0	31	-1.0	-37.99	309.43	2.72	-35.27
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220112	1	31	-1.0	-38.00	309.50	2.73	-35.27
O=S(=O)(C1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220113	0	31	-1.0	-43.46	282.65	1.96	-41.50
O=S(=O)(C1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220113	1	31	-1.0	-43.46	282.72	1.96	-41.50
O=S(=O)(C1=CC=C2OCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220114	0	36	-1.0	-41.21	311.89	1.54	-39.67
O=S(=O)(C1=CC=C2OCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220114	1	36	-1.0	-41.19	311.96	1.56	-39.63
CCOC(=O)C1CCCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020220115	0	45	-1.0	-42.78	371.48	2.38	-40.40
CCOC(=O)C1CCCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020220115	1	45	-1.0	-42.76	371.56	2.40	-40.36
O=S(=O)(C1=CC2=CC=CC=C2CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220116	0	39	-1.0	-42.25	330.99	4.07	-38.18
O=S(=O)(C1=CC2=CC=CC=C2CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220116	1	39	-1.0	-42.29	331.07	4.08	-38.21
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020220117	0	37	-1.0	-39.63	332.88	4.07	-35.56
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020220117	1	37	-1.0	-39.67	332.95	4.09	-35.58
CCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220118	0	37	-1.0	-41.80	319.40	3.11	-38.69
CCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220118	1	37	-1.0	-41.82	319.48	3.12	-38.70
O=S(=O)(NC1CC1)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220119	0	43	-1.0	-49.42	384.98	-0.47	-49.89
O=S(=O)(NC1CC1)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220119	1	43	-1.0	-49.38	385.05	-0.46	-49.84
O=S(=O)(C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220120	0	31	-1.0	-42.51	292.47	2.17	-40.34
O=S(=O)(C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220120	1	31	-1.0	-42.53	292.54	2.18	-40.35
O=S(=O)(C1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220121	0	31	-1.0	-42.36	297.04	2.27	-40.09
O=S(=O)(C1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220121	1	31	-1.0	-42.39	297.11	2.29	-40.10
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220122	0	33	-1.0	-41.45	304.74	2.34	-39.11
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220122	1	33	-1.0	-41.45	304.81	2.35	-39.10
O=S(=O)(C1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220123	0	37	-1.0	-43.20	322.15	3.94	-39.26
O=S(=O)(C1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220123	1	37	-1.0	-43.21	322.22	3.94	-39.27
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220124	0	38	-1.0	-49.62	332.08	0.55	-49.07
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220124	1	38	-1.0	-49.66	332.15	0.57	-49.09
O=[N+]([O-])C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220125	0	33	-1.0	-40.44	304.44	2.32	-38.12
O=[N+]([O-])C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220125	1	33	-1.0	-40.42	304.51	2.33	-38.09
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220126	0	36	-1.0	-39.66	314.12	2.81	-36.85
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220126	1	36	-1.0	-39.68	314.20	2.82	-36.86
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220127	0	35	-1.0	-44.28	305.23	0.96	-43.32
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220127	1	35	-1.0	-44.25	305.30	0.97	-43.28
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220128	0	33	-1.0	-47.22	296.85	3.51	-43.71
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220128	1	33	-1.0	-47.22	296.93	3.51	-43.71
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220129	0	38	-1.0	-44.02	327.09	1.88	-42.14
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220129	1	38	-1.0	-44.02	327.16	1.90	-42.12
O=S(=O)(C1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220130	0	31	-1.0	-42.32	284.22	1.66	-40.66
O=S(=O)(C1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220130	1	31	-1.0	-42.35	284.29	1.66	-40.69
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020220131	0	43	-1.0	-40.82	334.11	4.13	-36.69
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020220131	1	43	-1.0	-40.82	334.19	4.14	-36.68
O=S(=O)(C1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220132	0	37	-1.0	-44.79	320.72	0.81	-43.98
O=S(=O)(C1=CC=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220132	1	37	-1.0	-44.82	320.79	0.81	-44.01
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020220133	0	40	-1.0	-40.60	320.41	3.77	-36.83
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020220133	1	40	-1.0	-40.58	320.49	3.77	-36.81
O=S(=O)(C1=CC=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220134	0	31	-1.0	-38.39	288.92	1.77	-36.62
O=S(=O)(C1=CC=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220134	1	31	-1.0	-38.41	288.99	1.78	-36.63
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220135	0	43	-1.0	-44.70	385.48	2.98	-41.72
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220135	1	43	-1.0	-44.66	385.56	3.00	-41.66
O=S(=O)(C1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220136	0	31	-1.0	-39.09	297.50	2.28	-36.81
O=S(=O)(C1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220136	1	31	-1.0	-39.10	297.57	2.28	-36.82
O=S(=O)(C1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220137	0	31	-1.0	-45.67	284.98	1.96	-43.71
O=S(=O)(C1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220137	1	31	-1.0	-45.67	285.05	1.97	-43.70
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[O-]	REAL300020220138	0	33	-2.0	-85.07	309.44	1.40	-83.67
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[O-]	REAL300020220138	1	33	-2.0	-85.14	309.51	1.42	-83.72
O=S(=O)(C1=CC=C(Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220139	0	30	-1.0	-42.01	288.14	0.28	-41.73
O=S(=O)(C1=CC=C(Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220139	1	30	-1.0	-41.99	288.07	0.28	-41.71
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220140	0	32	-1.0	-44.53	296.55	2.05	-42.48
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220140	1	32	-1.0	-44.55	296.63	2.06	-42.49
O=S(=O)(C1=CC=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220141	0	31	-1.0	-42.15	294.56	2.11	-40.04
O=S(=O)(C1=CC=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220141	1	31	-1.0	-42.22	294.63	2.12	-40.10
O=S(=O)(C1=CC=C(Cl)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220142	0	34	-1.0	-39.20	320.02	3.52	-35.68
O=S(=O)(C1=CC=C(Cl)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220142	1	34	-1.0	-39.22	320.09	3.53	-35.69
N#CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220143	0	32	-1.0	-50.18	285.58	1.66	-48.52
N#CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220143	1	32	-1.0	-50.18	285.66	1.66	-48.52
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020220144	0	34	-1.0	-39.59	315.72	2.84	-36.75
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020220144	1	34	-1.0	-39.59	315.79	2.84	-36.75
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020220145	0	45	-1.0	-44.15	385.85	5.18	-38.97
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020220145	1	45	-1.0	-44.17	385.92	5.20	-38.97
O=S(=O)(C1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020220146	0	31	-1.0	-43.05	285.25	2.06	-40.99
O=S(=O)(C1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020220146	1	31	-1.0	-43.06	285.32	2.07	-40.99
O=S(=O)(C1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220147	0	35	-1.0	-42.79	321.73	1.45	-41.34
O=S(=O)(C1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220147	1	35	-1.0	-42.85	321.80	1.47	-41.38
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1C	REAL300020220148	0	46	-1.0	-41.81	346.38	4.58	-37.23
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1C	REAL300020220148	1	46	-1.0	-41.81	346.45	4.59	-37.22
O=S(=O)(C1=CC=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220149	0	40	-1.0	-43.17	339.06	1.60	-41.57
O=S(=O)(C1=CC=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220149	1	40	-1.0	-43.14	339.13	1.61	-41.53
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020220150	0	36	-1.0	-40.46	320.41	2.84	-37.62
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020220150	1	36	-1.0	-40.47	320.48	2.85	-37.62
O=S(=O)(C1=CC=C(Br)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220151	0	28	-1.0	-37.79	289.57	1.43	-36.36
O=S(=O)(C1=CC=C(Br)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220151	1	28	-1.0	-37.79	289.64	1.44	-36.35
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220152	0	35	-1.0	-42.55	320.98	2.16	-40.39
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220152	1	35	-1.0	-42.58	321.05	2.17	-40.41
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220153	0	49	-1.0	-40.14	375.83	5.41	-34.73
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220153	1	49	-1.0	-40.15	375.90	5.41	-34.74
O=S(=O)(C1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220154	0	47	-1.0	-43.70	377.60	5.46	-38.24
O=S(=O)(C1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220154	1	47	-1.0	-43.70	377.67	5.47	-38.23
O=S(=O)(C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220155	0	34	-1.0	-42.55	314.48	2.65	-39.90
O=S(=O)(C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220155	1	34	-1.0	-42.49	314.55	2.67	-39.82
O=S(=O)(C1=CC=C2CCCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220156	0	41	-1.0	-42.01	338.93	4.13	-37.88
O=S(=O)(C1=CC=C2CCCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220156	1	41	-1.0	-42.02	339.00	4.13	-37.89
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220157	0	39	-1.0	-45.53	329.15	0.83	-44.70
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220157	1	39	-1.0	-45.51	329.22	0.84	-44.67
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020220158	0	39	-1.0	-44.25	334.95	0.86	-43.39
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020220158	1	39	-1.0	-44.26	335.03	0.86	-43.40
O=S(=O)(C1=CC=C2CCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220159	0	38	-1.0	-41.69	321.76	3.55	-38.14
O=S(=O)(C1=CC=C2CCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220159	1	38	-1.0	-41.69	321.83	3.55	-38.14
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220160	0	47	-1.0	-48.36	390.87	2.59	-45.77
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220160	1	47	-1.0	-48.37	390.94	2.61	-45.76
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220161	0	38	-1.0	-46.50	350.80	-0.18	-46.68
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220161	1	38	-1.0	-46.51	350.87	-0.17	-46.68
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220162	0	38	-1.0	-43.56	321.09	2.20	-41.36
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220162	1	38	-1.0	-43.60	321.17	2.21	-41.39
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220163	0	35	-1.0	-39.97	316.77	2.05	-37.92
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220163	1	35	-1.0	-39.98	316.85	2.05	-37.93
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1NC(C)=O	REAL300020220164	0	42	-1.0	-47.35	361.12	-0.04	-47.39
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1NC(C)=O	REAL300020220164	1	42	-1.0	-47.38	361.19	-0.04	-47.42
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220165	0	33	-1.0	-41.99	313.58	4.02	-37.97
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220165	1	33	-1.0	-42.02	313.65	4.02	-38.00
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220166	0	41	-1.0	-48.37	341.85	1.05	-47.32
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220166	1	41	-1.0	-48.36	341.93	1.06	-47.30
O=S(=O)(C1=C(Cl)SC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220167	0	28	-1.0	-37.02	292.23	1.61	-35.41
O=S(=O)(C1=C(Cl)SC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220167	1	28	-1.0	-37.05	292.31	1.63	-35.42
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220168	0	36	-1.0	-46.68	306.60	2.66	-44.02
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220168	1	36	-1.0	-46.73	306.68	2.66	-44.07
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220169	0	46	-1.0	-43.93	379.20	5.16	-38.77
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220169	1	46	-1.0	-43.95	379.27	5.17	-38.78
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220170	0	34	-1.0	-37.38	304.94	2.77	-34.61
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220170	1	34	-1.0	-37.43	305.01	2.77	-34.66
O=S(=O)(C1=CC(F)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220171	0	31	-1.0	-40.18	284.14	1.68	-38.50
O=S(=O)(C1=CC(F)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220171	1	31	-1.0	-40.17	284.22	1.70	-38.47
O=C1NC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020220172	0	35	-1.0	-43.07	311.72	-1.50	-44.57
O=C1NC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020220172	1	35	-1.0	-43.04	311.79	-1.48	-44.52
CSC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220173	0	35	-1.0	-43.77	315.94	2.68	-41.09
CSC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220173	1	35	-1.0	-43.77	316.01	2.70	-41.07
O=S(=O)(C1=CC=C(OCC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220174	0	38	-1.0	-45.37	346.66	2.35	-43.02
O=S(=O)(C1=CC=C(OCC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220174	1	38	-1.0	-45.39	346.73	2.36	-43.03
O=C1CCC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020220175	0	39	-1.0	-42.62	336.02	0.82	-41.80
O=C1CCC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020220175	1	39	-1.0	-42.65	336.10	0.83	-41.82
CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N(C)C1=O	REAL300020220176	0	37	-1.0	-55.23	321.37	0.47	-54.76
CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N(C)C1=O	REAL300020220176	1	37	-1.0	-55.22	321.44	0.47	-54.75
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020220177	0	45	-1.0	-41.85	378.40	2.73	-39.12
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020220177	1	45	-1.0	-41.78	378.48	2.75	-39.03
O=S(=O)(C1=CC=C(N2C=NN=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220178	0	36	-1.0	-48.51	324.08	1.85	-46.66
O=S(=O)(C1=CC=C(N2C=NN=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220178	1	36	-1.0	-48.50	324.01	1.84	-46.66
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220179	0	41	-1.0	-46.70	353.12	1.38	-45.32
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220179	1	41	-1.0	-46.73	353.20	1.39	-45.34
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220180	0	39	-1.0	-44.10	352.84	-2.18	-46.28
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220180	1	39	-1.0	-44.11	352.91	-2.17	-46.28
N#CC1=CC=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220181	0	35	-1.0	-46.77	321.14	2.79	-43.98
N#CC1=CC=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220181	1	35	-1.0	-46.73	321.21	2.80	-43.93
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020220182	0	39	-1.0	-37.37	329.63	3.39	-33.98
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020220182	1	39	-1.0	-37.40	329.70	3.40	-34.00
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220183	0	40	-1.0	-46.28	348.34	3.43	-42.85
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220183	1	40	-1.0	-46.27	348.41	3.44	-42.83
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220184	0	38	-1.0	-47.28	332.18	-0.06	-47.34
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220184	1	38	-1.0	-47.29	332.25	-0.05	-47.34
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220185	0	36	-1.0	-49.27	329.98	-3.40	-52.67
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220185	1	36	-1.0	-49.30	330.05	-3.38	-52.68
O=S(=O)(C1=CC=C(OC(F)F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220186	0	35	-1.0	-42.98	331.49	1.78	-41.20
O=S(=O)(C1=CC=C(OC(F)F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220186	1	35	-1.0	-42.97	331.56	1.79	-41.18
O=C1CCCN1C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220187	0	42	-1.0	-52.76	353.54	2.78	-49.98
O=C1CCCN1C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220187	1	42	-1.0	-52.79	353.61	2.79	-50.00
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020220188	0	45	-1.0	-51.89	369.28	3.26	-48.63
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020220188	1	45	-1.0	-51.90	369.35	3.26	-48.64
NC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220189	0	35	-1.0	-47.22	310.24	-1.56	-48.78
NC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220189	1	35	-1.0	-47.26	310.32	-1.55	-48.81
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020220190	0	42	-1.0	-51.11	356.56	2.80	-48.31
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020220190	1	42	-1.0	-51.10	356.63	2.82	-48.28
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220191	0	43	-1.0	-51.54	375.59	4.02	-47.52
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220191	1	43	-1.0	-51.55	375.66	4.04	-47.51
O=S(=O)(C1=CC(F)=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220192	0	31	-1.0	-38.33	288.79	1.82	-36.51
O=S(=O)(C1=CC(F)=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220192	1	31	-1.0	-38.36	288.86	1.84	-36.52
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020220193	0	34	-1.0	-46.82	317.38	1.96	-44.86
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020220193	1	34	-1.0	-46.82	317.46	1.97	-44.85
COCCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220194	0	41	-1.0	-44.57	352.31	2.16	-42.41
COCCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220194	1	41	-1.0	-44.64	352.38	2.18	-42.46
COC1=CC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020220195	0	41	-1.0	-40.15	330.86	2.51	-37.64
COC1=CC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020220195	1	41	-1.0	-40.14	330.93	2.52	-37.62
N#CC1=CC=CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220196	0	35	-1.0	-47.10	321.12	2.79	-44.31
N#CC1=CC=CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220196	1	35	-1.0	-47.12	321.20	2.79	-44.33
COCCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020220197	0	45	-1.0	-43.60	381.27	1.89	-41.71
COCCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020220197	1	45	-1.0	-43.61	381.34	1.89	-41.72
COC(=O)C1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220198	0	42	-1.0	-47.75	348.90	1.48	-46.27
COC(=O)C1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220198	1	42	-1.0	-47.75	348.97	1.49	-46.26
O=S(=O)(C1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020220199	0	42	-1.0	-43.73	360.44	5.76	-37.97
O=S(=O)(C1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020220199	1	42	-1.0	-43.78	360.51	5.76	-38.02
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220200	0	43	-1.0	-41.65	357.65	4.35	-37.30
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220200	1	43	-1.0	-41.65	357.73	4.36	-37.29
O=C1COC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=C(Cl)C=C2N1	REAL300020220201	0	37	-1.0	-42.76	333.97	-0.77	-43.53
O=C1COC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=C(Cl)C=C2N1	REAL300020220201	1	37	-1.0	-42.78	334.04	-0.76	-43.54
N#CC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220202	0	32	-1.0	-40.59	297.04	2.04	-38.55
N#CC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220202	1	32	-1.0	-40.58	297.11	2.05	-38.53
O=S(=O)(C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220203	0	31	-1.0	-37.91	308.13	2.63	-35.28
O=S(=O)(C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220203	1	31	-1.0	-37.94	308.21	2.64	-35.30
O=S(=O)(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220204	0	34	-1.0	-41.54	328.11	3.07	-38.47
O=S(=O)(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220204	1	34	-1.0	-41.57	328.19	3.08	-38.49
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220205	0	43	-1.0	-43.86	354.42	4.24	-39.62
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220205	1	43	-1.0	-43.87	354.49	4.26	-39.61
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220206	0	37	-1.0	-41.55	313.37	0.77	-40.78
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220206	1	37	-1.0	-41.54	313.44	0.79	-40.75
O=S(=O)(C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220207	0	31	-1.0	-39.16	292.94	2.17	-36.99
O=S(=O)(C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220207	1	31	-1.0	-39.20	293.01	2.18	-37.02
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220208	0	37	-1.0	-44.46	330.51	2.32	-42.14
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220208	1	37	-1.0	-44.49	330.58	2.34	-42.15
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220209	0	46	-1.0	-39.42	359.80	4.48	-34.94
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220209	1	46	-1.0	-39.45	359.88	4.48	-34.97
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220210	0	40	-1.0	-47.90	355.09	3.06	-44.84
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220210	1	40	-1.0	-47.92	355.17	3.08	-44.84
O=C1NC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020220211	0	34	-1.0	-46.12	307.71	-0.81	-46.93
O=C1NC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020220211	1	34	-1.0	-46.11	307.78	-0.80	-46.91
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CCCCCC1	REAL300020220212	0	39	-1.0	-39.68	308.96	1.78	-37.90
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CCCCCC1	REAL300020220212	1	39	-1.0	-39.69	309.04	1.81	-37.88
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2CC1C	REAL300020220213	0	45	-1.0	-52.12	370.79	3.22	-48.90
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2CC1C	REAL300020220213	1	45	-1.0	-52.12	370.86	3.23	-48.89
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220214	0	37	-1.0	-50.40	330.35	0.15	-50.25
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220214	1	37	-1.0	-50.36	330.42	0.16	-50.20
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020220215	0	37	-1.0	-45.77	324.98	2.68	-43.09
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020220215	1	37	-1.0	-45.76	325.05	2.68	-43.08
O=[N+]([O-])C1=CC=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220216	0	36	-1.0	-47.26	328.50	3.07	-44.19
O=[N+]([O-])C1=CC=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220216	1	36	-1.0	-47.33	328.58	3.08	-44.25
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=C2N=C1	REAL300020220217	0	39	-1.0	-46.93	332.84	3.32	-43.61
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=C2N=C1	REAL300020220217	1	39	-1.0	-46.96	332.77	3.31	-43.65
CCCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220218	0	41	-1.0	-43.72	348.58	2.68	-41.04
CCCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220218	1	41	-1.0	-43.72	348.66	2.70	-41.02
O=S(=O)(CC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220219	0	34	-1.0	-44.81	306.69	2.46	-42.35
O=S(=O)(CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220219	1	34	-1.0	-44.82	306.77	2.48	-42.34
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020220220	0	34	-1.0	-43.19	304.09	2.62	-40.57
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020220220	1	34	-1.0	-43.21	304.17	2.63	-40.58
O=S(=O)(C1=CC=CC=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220221	0	35	-1.0	-43.91	316.51	2.00	-41.91
O=S(=O)(C1=CC=CC=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220221	1	35	-1.0	-43.90	316.58	2.01	-41.89
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220222	0	37	-1.0	-42.51	331.00	2.31	-40.20
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220222	1	37	-1.0	-42.53	331.07	2.31	-40.22
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020220223	0	38	-1.0	-44.43	341.60	0.96	-43.47
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020220223	1	38	-1.0	-44.46	341.67	0.97	-43.49
O=C1COC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020220224	0	37	-1.0	-44.07	326.96	-1.11	-45.18
O=C1COC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020220224	1	37	-1.0	-44.06	327.03	-1.11	-45.17
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220225	0	36	-1.0	-44.81	330.41	-3.39	-48.20
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220225	1	36	-1.0	-44.81	330.48	-3.38	-48.19
O=S(=O)(C1=CC=CN=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220226	0	30	-1.0	-43.87	278.38	0.13	-43.74
O=S(=O)(C1=CC=CN=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220226	1	30	-1.0	-43.86	278.31	0.12	-43.74
CN1C(=O)CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020220227	0	39	-1.0	-43.48	338.80	2.11	-41.37
CN1C(=O)CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020220227	1	39	-1.0	-43.54	338.87	2.12	-41.42
O=C1NC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2NC1=O	REAL300020220228	0	37	-1.0	-47.19	332.52	-1.32	-48.51
O=C1NC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2NC1=O	REAL300020220228	1	37	-1.0	-47.19	332.59	-1.30	-48.49
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220229	0	37	-1.0	-51.20	336.44	-0.83	-52.03
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220229	1	37	-1.0	-51.18	336.51	-0.81	-51.99
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C2C1	REAL300020220230	0	40	-1.0	-42.12	333.22	2.97	-39.15
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C2C1	REAL300020220230	1	40	-1.0	-42.14	333.29	2.99	-39.15
O=C1C=CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020220231	0	36	-1.0	-43.44	323.79	3.19	-40.25
O=C1C=CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020220231	1	36	-1.0	-43.44	323.87	3.21	-40.23
O=S(=O)(C1=CC=CC(OC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220232	0	35	-1.0	-38.71	322.20	1.45	-37.26
O=S(=O)(C1=CC=CC(OC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220232	1	35	-1.0	-38.73	322.27	1.45	-37.28
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CN=C12	REAL300020220233	0	39	-1.0	-43.27	326.17	2.62	-40.65
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CN=C12	REAL300020220233	1	39	-1.0	-43.28	326.09	2.62	-40.66
CN1C(=O)OC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020220234	0	37	-1.0	-43.21	330.09	1.64	-41.57
CN1C(=O)OC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020220234	1	37	-1.0	-43.22	330.16	1.66	-41.56
O=C1NC(=O)C2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020220235	0	37	-1.0	-42.89	331.72	-1.98	-44.87
O=C1NC(=O)C2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020220235	1	37	-1.0	-42.93	331.79	-1.98	-44.91
CC1=CC(F)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220236	0	34	-1.0	-39.31	290.40	2.22	-37.09
CC1=CC(F)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220236	1	34	-1.0	-39.33	290.47	2.22	-37.11
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220237	0	39	-1.0	-44.29	345.22	3.17	-41.12
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220237	1	39	-1.0	-44.35	345.29	3.17	-41.18
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220238	0	39	-1.0	-48.25	352.35	-2.18	-50.43
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220238	1	39	-1.0	-48.27	352.43	-2.17	-50.44
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220239	0	37	-1.0	-46.56	336.93	-0.82	-47.38
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220239	1	37	-1.0	-46.57	337.00	-0.82	-47.39
O=S(=O)(C1=CC=CC=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220240	0	41	-1.0	-40.95	336.98	5.09	-35.86
O=S(=O)(C1=CC=CC=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220240	1	41	-1.0	-40.98	337.05	5.10	-35.88
O=S(=O)(C1=CC=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220241	0	31	-1.0	-40.86	289.11	2.03	-38.83
O=S(=O)(C1=CC=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220241	1	31	-1.0	-40.88	289.18	2.03	-38.85
O=C(C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1)N1CCCC1	REAL300020220242	0	43	-1.0	-53.24	361.90	1.04	-52.20
O=C(C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1)N1CCCC1	REAL300020220242	1	43	-1.0	-53.25	361.97	1.05	-52.20
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020220243	0	38	-1.0	-54.64	333.60	0.49	-54.15
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020220243	1	38	-1.0	-54.68	333.67	0.50	-54.18
O=S(=O)(C1=CC2=C(C=C1)OC1=C2C=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220244	0	40	-1.0	-44.32	350.17	4.41	-39.91
O=S(=O)(C1=CC2=C(C=C1)OC1=C2C=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220244	1	40	-1.0	-44.31	350.25	4.42	-39.89
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220245	0	42	-1.0	-43.52	371.80	-0.35	-43.87
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220245	1	42	-1.0	-43.55	371.87	-0.34	-43.89
CC1CC(C)CN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020220246	0	42	-1.0	-39.55	336.47	2.01	-37.54
CC1CC(C)CN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020220246	1	42	-1.0	-39.67	336.54	2.01	-37.66
CC1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220247	0	39	-1.0	-43.21	315.14	1.47	-41.74
CC1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220247	1	39	-1.0	-43.22	315.21	1.47	-41.75
CC1CCCCN1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220248	0	39	-1.0	-39.23	301.56	1.44	-37.79
CC1CCCCN1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220248	1	39	-1.0	-39.22	301.63	1.45	-37.77
COC1=CC(F)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020220249	0	39	-1.0	-41.51	336.36	0.83	-40.68
COC1=CC(F)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020220249	1	39	-1.0	-41.53	336.44	0.85	-40.68
COC1=CC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020220250	0	42	-1.0	-43.77	342.35	1.36	-42.41
COC1=CC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020220250	1	42	-1.0	-43.79	342.43	1.36	-42.43
CCOC(=O)C1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220251	0	45	-1.0	-47.58	370.76	2.41	-45.17
CCOC(=O)C1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220251	1	45	-1.0	-47.59	370.84	2.42	-45.17
CN1C=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020220252	0	31	-1.0	-45.56	294.79	1.18	-44.38
CN1C=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020220252	1	31	-1.0	-45.58	294.71	1.17	-44.41
COCCN(CCOC)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220253	0	43	-1.0	-39.61	353.47	-1.06	-40.67
COCCN(CCOC)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220253	1	43	-1.0	-39.62	353.54	-1.05	-40.67
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020220254	0	34	-1.0	-42.79	306.67	2.74	-40.05
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020220254	1	34	-1.0	-42.81	306.74	2.74	-40.07
O=S(=O)(NC1CC1)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220255	0	43	-1.0	-47.75	384.75	-0.50	-48.25
O=S(=O)(NC1CC1)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220255	1	43	-1.0	-47.74	384.82	-0.49	-48.23
CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(N)=O	REAL300020220256	0	36	-1.0	-45.40	318.15	-2.18	-47.58
CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(N)=O	REAL300020220256	1	36	-1.0	-45.43	318.22	-2.17	-47.60
CN(C1CCCCC1)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220257	0	42	-1.0	-43.28	332.01	2.14	-41.14
CN(C1CCCCC1)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220257	1	42	-1.0	-43.31	332.08	2.16	-41.15
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220258	0	37	-1.0	-43.01	338.04	2.66	-40.35
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220258	1	37	-1.0	-43.04	338.12	2.67	-40.37
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220259	0	42	-1.0	-44.11	354.75	2.00	-42.11
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220259	1	42	-1.0	-44.16	354.82	2.00	-42.16
COCCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220260	0	42	-1.0	-45.91	360.71	1.16	-44.75
COCCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220260	1	42	-1.0	-45.94	360.78	1.17	-44.77
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220261	0	37	-1.0	-48.85	344.04	-0.47	-49.32
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220261	1	37	-1.0	-48.80	344.11	-0.46	-49.26
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020220262	0	35	-1.0	-40.22	321.74	1.51	-38.71
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020220262	1	35	-1.0	-40.21	321.82	1.52	-38.69
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020220263	0	35	-1.0	-40.70	311.94	1.03	-39.67
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020220263	1	35	-1.0	-40.73	312.01	1.03	-39.70
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020220264	0	38	-1.0	-40.94	325.53	1.73	-39.21
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020220264	1	38	-1.0	-41.01	325.60	1.74	-39.27
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020220265	0	41	-1.0	-41.20	347.64	2.62	-38.58
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020220265	1	41	-1.0	-41.16	347.72	2.63	-38.53
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(N)=O	REAL300020220266	0	38	-1.0	-42.49	326.83	-0.90	-43.39
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(N)=O	REAL300020220266	1	38	-1.0	-42.49	326.90	-0.89	-43.38
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(N)=O	REAL300020220267	0	39	-1.0	-46.06	338.03	-0.97	-47.03
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(N)=O	REAL300020220267	1	39	-1.0	-46.07	338.10	-0.96	-47.03
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020220268	0	47	-1.0	-43.10	379.70	4.59	-38.51
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020220268	1	47	-1.0	-43.14	379.78	4.61	-38.53
O=C(C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)N1CCOCC1	REAL300020220269	0	46	-1.0	-44.76	381.24	1.12	-43.64
O=C(C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)N1CCOCC1	REAL300020220269	1	46	-1.0	-44.72	381.31	1.13	-43.59
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220270	0	36	-1.0	-38.79	311.81	2.80	-35.99
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220270	1	36	-1.0	-38.83	311.89	2.81	-36.02
O=C1CCC2=CC(Cl)=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020220271	0	39	-1.0	-48.37	342.01	1.18	-47.19
O=C1CCC2=CC(Cl)=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020220271	1	39	-1.0	-48.41	342.08	1.18	-47.23
O=S(=O)(CCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220272	0	37	-1.0	-43.96	321.76	3.19	-40.77
O=S(=O)(CCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220272	1	37	-1.0	-43.97	321.83	3.19	-40.78
CNC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1C	REAL300020220273	0	39	-1.0	-44.90	340.10	-0.69	-45.59
CNC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1C	REAL300020220273	1	39	-1.0	-44.91	340.17	-0.68	-45.59
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220274	0	34	-1.0	-37.53	300.37	2.67	-34.86
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220274	1	34	-1.0	-37.57	300.45	2.67	-34.90
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220275	0	44	-1.0	-43.67	368.69	3.38	-40.29
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220275	1	44	-1.0	-43.66	368.76	3.40	-40.26
CCCN(CCC)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220276	0	41	-1.0	-38.94	335.61	2.03	-36.91
CCCN(CCC)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220276	1	41	-1.0	-38.97	335.68	2.03	-36.94
O=C1CCCC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020220277	0	42	-1.0	-44.70	351.69	1.78	-42.92
O=C1CCCC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020220277	1	42	-1.0	-44.68	351.76	1.78	-42.90
COC1=C(C)C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020220278	0	41	-1.0	-41.14	349.55	2.57	-38.57
COC1=C(C)C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020220278	1	41	-1.0	-41.14	349.62	2.59	-38.55
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020220279	0	32	-1.0	-42.06	312.43	2.46	-39.60
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020220279	1	32	-1.0	-42.10	312.50	2.46	-39.64
N#CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020220280	0	32	-1.0	-43.07	312.46	2.46	-40.61
N#CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020220280	1	32	-1.0	-43.13	312.53	2.46	-40.67
O=C1OCC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020220281	0	35	-1.0	-51.16	314.33	2.06	-49.10
O=C1OCC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020220281	1	35	-1.0	-51.17	314.40	2.07	-49.10
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CN=C12	REAL300020220282	0	40	-1.0	-44.48	335.92	1.18	-43.30
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CN=C12	REAL300020220282	1	40	-1.0	-44.46	335.84	1.17	-43.29
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020220283	0	34	-1.0	-41.35	311.43	2.78	-38.57
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020220283	1	34	-1.0	-41.35	311.51	2.80	-38.55
O=S(=O)(C1=CC=CC(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220284	0	31	-1.0	-40.72	293.93	2.12	-38.60
O=S(=O)(C1=CC=CC(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220284	1	31	-1.0	-40.74	294.00	2.13	-38.61
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300020220285	0	44	-1.0	-42.16	365.55	3.24	-38.92
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300020220285	1	44	-1.0	-42.19	365.62	3.25	-38.94
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220286	0	37	-1.0	-40.40	328.26	2.20	-38.20
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220286	1	37	-1.0	-40.38	328.33	2.20	-38.18
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020220287	0	41	-1.0	-43.67	339.97	3.04	-40.63
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020220287	1	41	-1.0	-43.68	340.04	3.05	-40.63
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020220288	0	34	-1.0	-42.06	302.69	2.39	-39.67
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020220288	1	34	-1.0	-42.04	302.76	2.40	-39.64
O=S(=O)(C1=C(Cl)C=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220289	0	31	-1.0	-37.85	316.34	3.52	-34.33
O=S(=O)(C1=C(Cl)C=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220289	1	31	-1.0	-37.83	316.41	3.54	-34.29
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220290	0	34	-1.0	-39.21	300.72	2.66	-36.55
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220290	1	34	-1.0	-39.21	300.80	2.67	-36.54
CC1=CC=C(F)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220291	0	34	-1.0	-41.42	299.16	2.28	-39.14
CC1=CC=C(F)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220291	1	34	-1.0	-41.40	299.23	2.30	-39.10
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220292	0	34	-1.0	-37.67	290.05	2.21	-35.46
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220292	1	34	-1.0	-37.67	290.12	2.22	-35.45
O=S(=O)(C1=CC=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020220293	0	31	-1.0	-40.48	291.67	2.14	-38.34
O=S(=O)(C1=CC=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020220293	1	31	-1.0	-40.49	291.74	2.15	-38.34
O=S(=O)(C1=CC=C(CCCl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220294	0	37	-1.0	-44.68	335.79	3.72	-40.96
O=S(=O)(C1=CC=C(CCCl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220294	1	37	-1.0	-44.67	335.86	3.73	-40.94
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220295	0	36	-1.0	-45.11	304.33	3.78	-41.33
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220295	1	36	-1.0	-45.14	304.40	3.78	-41.36
O=C1CCC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=C(F)C=C2N1	REAL300020220296	0	39	-1.0	-42.88	337.52	0.82	-42.06
O=C1CCC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=C(F)C=C2N1	REAL300020220296	1	39	-1.0	-42.89	337.60	0.84	-42.05
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220297	0	41	-1.0	-47.40	345.49	1.34	-46.06
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220297	1	41	-1.0	-47.43	345.56	1.34	-46.09
O=S(=O)(C1=CC=C(OC2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220298	0	45	-1.0	-44.20	369.79	3.85	-40.35
O=S(=O)(C1=CC=C(OC2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220298	1	45	-1.0	-44.26	369.86	3.87	-40.39
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220299	0	39	-1.0	-46.97	332.98	3.33	-43.64
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220299	1	39	-1.0	-46.95	332.91	3.31	-43.64
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220300	0	47	-1.0	-43.53	387.65	3.99	-39.54
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220300	1	47	-1.0	-43.50	387.73	4.00	-39.50
COC(=O)COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220301	0	41	-1.0	-48.62	361.59	2.58	-46.04
COC(=O)COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220301	1	41	-1.0	-48.63	361.67	2.60	-46.03
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1	REAL300020220302	0	35	-1.0	-40.54	323.99	3.39	-37.15
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020220302	1	35	-1.0	-40.57	324.06	3.40	-37.17
O=S(=O)(C1=CC=C(OCC2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220303	0	51	-1.0	-41.16	411.09	5.28	-35.88
O=S(=O)(C1=CC=C(OCC2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220303	1	51	-1.0	-41.16	411.17	5.30	-35.86
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020220304	0	34	-1.0	-41.84	317.15	3.51	-38.33
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020220304	1	34	-1.0	-41.85	317.23	3.52	-38.33
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220305	0	40	-1.0	-46.12	344.35	-0.33	-46.45
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220305	1	40	-1.0	-46.16	344.43	-0.33	-46.49
O=S(=O)(C1=CC=CC2=CN=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220306	0	36	-1.0	-46.54	306.98	1.94	-44.60
O=S(=O)(C1=CC=CC2=CN=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220306	1	36	-1.0	-46.54	306.90	1.93	-44.61
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020220307	0	33	-1.0	-41.53	310.89	2.63	-38.90
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020220307	1	33	-1.0	-41.51	310.97	2.63	-38.88
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CN=C2C=C1	REAL300020220308	0	39	-1.0	-44.47	324.69	3.00	-41.47
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CN=C2C=C1	REAL300020220308	1	39	-1.0	-44.40	324.62	3.00	-41.40
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220309	0	44	-1.0	-47.65	382.55	2.73	-44.92
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220309	1	44	-1.0	-47.64	382.62	2.75	-44.89
O=S(=O)(C1=C(Br)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220310	0	28	-1.0	-39.18	285.96	1.35	-37.83
O=S(=O)(C1=C(Br)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220310	1	28	-1.0	-39.21	286.04	1.35	-37.86
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220311	0	50	-1.0	-41.42	397.48	1.57	-39.85
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220311	1	50	-1.0	-41.48	397.56	1.58	-39.90
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220312	0	44	-1.0	-52.40	379.14	1.45	-50.95
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220312	1	44	-1.0	-52.46	379.21	1.46	-51.00
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020220313	0	33	-1.0	-43.15	306.04	2.26	-40.89
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020220313	1	33	-1.0	-43.18	306.11	2.27	-40.91
O=S(=O)(C1=CC(Br)=CN=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220314	0	30	-1.0	-37.79	299.06	0.75	-37.04
O=S(=O)(C1=CC(Br)=CN=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220314	1	30	-1.0	-37.79	298.98	0.74	-37.05
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220315	0	45	-1.0	-48.90	381.87	0.55	-48.35
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220315	1	45	-1.0	-48.91	381.94	0.56	-48.35
O=S(=O)(C1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220316	0	41	-1.0	-45.27	349.92	5.07	-40.20
O=S(=O)(C1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220316	1	41	-1.0	-45.25	350.00	5.09	-40.16
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220317	0	42	-1.0	-45.46	366.96	1.32	-44.14
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220317	1	42	-1.0	-45.49	367.03	1.32	-44.17
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020220318	0	38	-1.0	-41.48	313.48	1.46	-40.02
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020220318	1	38	-1.0	-41.53	313.55	1.46	-40.07
COC1=CC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020220319	0	41	-1.0	-39.68	333.12	2.19	-37.49
COC1=CC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020220319	1	41	-1.0	-39.69	333.20	2.19	-37.50
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220320	0	42	-1.0	-45.79	364.27	1.63	-44.16
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220320	1	42	-1.0	-45.80	364.34	1.63	-44.17
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220321	0	33	-1.0	-46.77	309.72	3.09	-43.68
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220321	1	33	-1.0	-46.75	309.79	3.11	-43.64
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220322	0	40	-1.0	-46.60	355.63	0.20	-46.40
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220322	1	40	-1.0	-46.66	355.71	0.21	-46.45
O=S(=O)(C1=C(Cl)N=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220323	0	34	-1.0	-43.66	315.59	2.62	-41.04
O=S(=O)(C1=C(Cl)N=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220323	1	34	-1.0	-43.64	315.51	2.60	-41.04
CCOC(=O)N1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220324	0	44	-1.0	-41.68	364.50	0.49	-41.19
CCOC(=O)N1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220324	1	44	-1.0	-41.68	364.57	0.49	-41.19
CC1(C)C2CCC1(CS(=O)(=O)N1CCC(C3=N[N-]N=N3)C1)C(=O)C2	REAL300020220325	0	46	-1.0	-48.24	355.45	4.23	-44.01
CC1(C)C2CCC1(CS(=O)(=O)N1CCC(C3=NN=N[N-]3)C1)C(=O)C2	REAL300020220325	1	46	-1.0	-48.27	355.52	4.24	-44.03
O=S(=O)(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220326	0	47	0.0	-74.27	377.93	4.65	-69.62
O=S(=O)(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220326	1	47	0.0	-60.89	377.94	4.60	-56.29
O=S(=O)(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220326	1	47	0.0	-74.30	378.00	4.66	-69.64
O=S(=O)(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220326	1	47	0.0	-60.90	378.01	4.61	-56.29
O=S(=O)(C1CCN(CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220326	1	46	-1.0	-40.71	373.53	2.03	-38.68
O=S(=O)(C1CCN(CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220326	1	46	-1.0	-40.76	373.60	2.03	-38.73
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020220327	0	44	-1.0	-46.25	375.79	5.52	-40.73
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020220327	1	44	-1.0	-46.26	375.86	5.54	-40.72
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220328	0	34	-1.0	-40.53	323.84	1.46	-39.07
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220328	1	34	-1.0	-40.54	323.91	1.47	-39.07
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020220329	0	37	-1.0	-52.84	341.35	-0.79	-53.63
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020220329	1	37	-1.0	-52.84	341.42	-0.79	-53.63
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020220330	0	39	-1.0	-45.93	335.91	4.77	-41.16
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020220330	1	39	-1.0	-46.00	335.99	4.78	-41.22
O=C1OCC2=C1C=CC=C2S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220331	0	35	-1.0	-43.83	308.43	1.89	-41.94
O=C1OCC2=C1C=CC=C2S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220331	1	35	-1.0	-43.85	308.51	1.90	-41.95
O=S(=O)(C1=C(F)C=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220332	0	31	-1.0	-39.58	290.91	2.04	-37.54
O=S(=O)(C1=C(F)C=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220332	1	31	-1.0	-39.59	290.99	2.06	-37.53
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220333	0	41	-1.0	-47.41	372.06	0.63	-46.78
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220333	1	41	-1.0	-47.41	372.13	0.64	-46.77
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220334	0	53	-1.0	-38.88	413.74	4.59	-34.29
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220334	1	53	-1.0	-38.87	413.81	4.60	-34.27
CC(=O)NC(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220335	0	41	-1.0	-43.29	369.47	0.68	-42.61
CC(=O)NC(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220335	1	41	-1.0	-43.30	369.54	0.69	-42.61
O=S(=O)(C1=CN=C2NC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020220336	0	34	-1.0	-50.63	303.95	0.86	-49.77
O=S(=O)(C1=CN=C2NC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020220336	1	34	-1.0	-50.66	304.02	0.87	-49.79
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220337	0	37	-1.0	-44.50	332.47	2.28	-42.22
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220337	1	37	-1.0	-44.50	332.54	2.30	-42.20
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220338	0	41	-1.0	-43.33	342.26	3.10	-40.23
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220338	1	41	-1.0	-43.41	342.33	3.11	-40.30
O=S(=O)(C1=CC=C(F)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220339	0	34	-1.0	-41.93	320.54	2.71	-39.22
O=S(=O)(C1=CC=C(F)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220339	1	34	-1.0	-41.92	320.61	2.72	-39.20
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220340	0	47	-1.0	-44.69	387.43	3.41	-41.28
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220340	1	47	-1.0	-44.65	387.50	3.41	-41.24
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220341	0	47	-1.0	-43.50	391.58	4.25	-39.25
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220341	1	47	-1.0	-43.49	391.66	4.26	-39.23
O=[N+]([O-])C1=CC=CC(Cl)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220342	0	33	-1.0	-45.28	305.21	3.57	-41.71
O=[N+]([O-])C1=CC=CC(Cl)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220342	1	33	-1.0	-45.31	305.29	3.58	-41.73
O=S(=O)(C1=CC=CC(N2C=NN=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220343	0	36	-1.0	-54.98	324.56	1.82	-53.16
O=S(=O)(C1=CC=CC(N2C=NN=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220343	1	36	-1.0	-54.95	324.49	1.82	-53.13
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020220344	0	44	-1.0	-43.26	361.82	3.96	-39.30
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020220344	1	44	-1.0	-43.26	361.90	3.98	-39.28
O=S(=O)(C1=CC=C(SC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220345	0	35	-1.0	-43.30	332.12	3.12	-40.18
O=S(=O)(C1=CC=C(SC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220345	1	35	-1.0	-43.31	332.19	3.14	-40.17
O=S(=O)(C1=CN=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220346	0	30	-1.0	-39.48	292.61	0.45	-39.03
O=S(=O)(C1=CN=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220346	1	30	-1.0	-39.48	292.54	0.45	-39.03
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220347	0	39	-1.0	-51.62	349.30	-1.63	-53.25
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220347	1	39	-1.0	-51.65	349.38	-1.62	-53.27
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220348	0	45	-1.0	-45.77	382.57	2.12	-43.65
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220348	1	45	-1.0	-45.82	382.64	2.14	-43.68
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020220349	0	39	-1.0	-47.19	355.03	-1.79	-48.98
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020220349	1	39	-1.0	-47.21	355.11	-1.79	-49.00
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020220349	1	38	-2.0	-100.18	348.10	-1.61	-101.79
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020220349	1	38	-2.0	-100.16	348.17	-1.61	-101.77
O=[N+]([O-])C1=CC=CC(F)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220350	0	33	-1.0	-47.07	297.15	3.03	-44.04
O=[N+]([O-])C1=CC=CC(F)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220350	1	33	-1.0	-47.08	297.22	3.05	-44.03
O=S(=O)(C1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220351	0	38	-1.0	-46.40	336.85	2.78	-43.62
O=S(=O)(C1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220351	1	38	-1.0	-46.34	336.77	2.78	-43.56
CC1=CC=CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220352	0	37	-1.0	-45.05	321.67	3.07	-41.98
CC1=CC=CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220352	1	37	-1.0	-45.07	321.74	3.08	-41.99
O=S(=O)(C1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220353	0	41	-1.0	-45.41	362.02	3.28	-42.13
O=S(=O)(C1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220353	1	41	-1.0	-45.44	361.95	3.26	-42.18
CC1=CC=CC=C1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220354	0	37	-1.0	-44.74	315.96	2.98	-41.76
CC1=CC=CC=C1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220354	1	37	-1.0	-44.76	316.04	2.99	-41.77
O=S(=O)(CC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220355	0	34	-1.0	-44.89	306.67	2.47	-42.42
O=S(=O)(CC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220355	1	34	-1.0	-44.95	306.75	2.48	-42.47
O=S(=O)(C1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220356	0	45	-1.0	-42.83	387.77	4.95	-37.88
O=S(=O)(C1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220356	1	45	-1.0	-42.83	387.84	4.97	-37.86
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220357	0	38	-1.0	-43.45	344.59	2.31	-41.14
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220357	1	38	-1.0	-43.39	344.66	2.32	-41.07
O=S(=O)(CC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220358	0	38	-1.0	-44.48	346.28	2.19	-42.29
O=S(=O)(CC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220358	1	38	-1.0	-44.56	346.35	2.20	-42.36
O=S(=O)(C1CCS(=O)(=O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220359	0	37	-1.0	-52.98	316.34	-1.95	-54.93
O=S(=O)(C1CCS(=O)(=O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220359	1	37	-1.0	-52.97	316.41	-1.94	-54.91
O=S(=O)(C1=CC(Br)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220360	0	31	-1.0	-39.67	299.03	2.24	-37.43
O=S(=O)(C1=CC(Br)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220360	1	31	-1.0	-39.71	299.10	2.26	-37.45
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020220361	0	37	-1.0	-43.00	330.64	3.18	-39.82
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020220361	1	37	-1.0	-43.01	330.72	3.18	-39.83
COC(=O)C1=CSC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220362	0	34	-1.0	-41.29	324.26	1.32	-39.97
COC(=O)C1=CSC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220362	1	34	-1.0	-41.28	324.34	1.33	-39.95
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220363	0	39	-1.0	-44.70	337.41	4.22	-40.48
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220363	1	39	-1.0	-44.73	337.49	4.23	-40.50
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020220364	0	41	-1.0	-45.90	355.77	2.61	-43.29
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020220364	1	41	-1.0	-45.94	355.84	2.62	-43.32
O=S(=O)(C1=CC2=CC=C(OC(F)F)C=C2CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220365	0	43	-1.0	-44.98	370.17	3.66	-41.32
O=S(=O)(C1=CC2=CC=C(OC(F)F)C=C2CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220365	1	43	-1.0	-45.05	370.25	3.66	-41.39
O=S(=O)(C1=CC=CC2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020220366	0	36	-1.0	-42.68	306.83	1.82	-40.86
O=S(=O)(C1=CC=CC2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020220366	1	36	-1.0	-42.71	306.75	1.80	-40.91
O=S(=O)(C1=CSC(C2=CC=C(F)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220367	0	37	-1.0	-40.78	348.87	2.47	-38.31
O=S(=O)(C1=CSC(C2=CC=C(F)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220367	1	37	-1.0	-40.77	348.80	2.45	-38.32
O=S(=O)(C1=CC=C(Cl)N=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220368	0	30	-1.0	-42.83	294.54	0.53	-42.30
O=S(=O)(C1=CC=C(Cl)N=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220368	1	30	-1.0	-42.82	294.47	0.52	-42.30
CC1=NOC2=NC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020220369	0	35	-1.0	-47.16	315.96	-1.38	-48.54
CC1=NOC2=NC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020220369	1	35	-1.0	-47.13	316.03	-1.38	-48.51
COC1=CC(F)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020220370	0	35	-1.0	-42.48	313.98	1.28	-41.20
COC1=CC(F)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020220370	1	35	-1.0	-42.51	314.06	1.29	-41.22
O=S(=O)(CC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220371	0	37	-1.0	-45.08	339.32	3.43	-41.65
O=S(=O)(CC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220371	1	37	-1.0	-45.05	339.40	3.43	-41.62
O=S(=O)(C1=CC=C(CCCCl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220372	0	40	-1.0	-46.12	357.28	4.50	-41.62
O=S(=O)(C1=CC=C(CCCCl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220372	1	40	-1.0	-46.11	357.36	4.51	-41.60
O=S(=O)(CC1=CC=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220373	0	34	-1.0	-45.98	326.88	3.06	-42.92
O=S(=O)(CC1=CC=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220373	1	34	-1.0	-45.94	326.95	3.07	-42.87
O=S(=O)(CC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220374	0	34	-1.0	-44.16	313.77	2.84	-41.32
O=S(=O)(CC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220374	1	34	-1.0	-44.17	313.84	2.86	-41.31
O=S(=O)(C1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220375	0	43	-1.0	-59.15	372.34	0.16	-58.99
O=S(=O)(C1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220375	1	43	-1.0	-59.11	372.41	0.18	-58.93
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020220376	0	31	-1.0	-40.30	291.98	0.22	-40.08
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020220376	1	31	-1.0	-40.29	291.91	0.21	-40.08
O=S(=O)(C1=CC=CC(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220377	0	31	-1.0	-41.52	284.04	1.68	-39.84
O=S(=O)(C1=CC=CC(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220377	1	31	-1.0	-41.51	284.11	1.69	-39.82
O=S(=O)(CC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220378	0	34	-1.0	-45.32	305.61	2.43	-42.89
O=S(=O)(CC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220378	1	34	-1.0	-45.34	305.68	2.44	-42.90
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220379	0	37	-1.0	-46.80	339.43	4.03	-42.77
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220379	1	37	-1.0	-46.83	339.51	4.04	-42.79
O=S(=O)(CC1=CC=C(Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220380	0	33	-1.0	-42.92	311.47	1.08	-41.84
O=S(=O)(CC1=CC=C(Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220380	1	33	-1.0	-42.91	311.40	1.07	-41.84
O=[N+]([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220381	0	33	-1.0	-45.48	312.16	3.90	-41.58
O=[N+]([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220381	1	33	-1.0	-45.47	312.23	3.91	-41.56
O=S(=O)(CC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220382	0	34	-1.0	-45.32	305.61	2.43	-42.89
O=S(=O)(CC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220382	1	34	-1.0	-45.34	305.68	2.44	-42.90
O=S(=O)(CC1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220383	0	37	-1.0	-46.98	324.88	3.49	-43.49
O=S(=O)(CC1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220383	1	37	-1.0	-47.00	324.95	3.49	-43.51
O=CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220384	0	33	-1.0	-46.57	287.39	1.18	-45.39
O=CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220384	1	33	-1.0	-46.62	287.46	1.18	-45.44
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020220385	0	41	-1.0	-40.77	334.90	2.36	-38.41
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020220385	1	41	-1.0	-40.76	334.98	2.37	-38.39
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020220386	0	39	-1.0	-44.23	342.29	1.42	-42.81
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020220386	1	39	-1.0	-44.27	342.36	1.44	-42.83
O=S(=O)(CC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220387	0	34	-1.0	-41.49	331.96	3.35	-38.14
O=S(=O)(CC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220387	1	34	-1.0	-41.52	332.03	3.36	-38.16
COC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=C(Cl)N=C2C=C1	REAL300020220388	0	40	-1.0	-46.95	351.58	2.79	-44.16
COC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=C(Cl)N=C2C=C1	REAL300020220388	1	40	-1.0	-46.97	351.50	2.79	-44.18
O=S(=O)(C1=CC=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220389	0	35	-1.0	-41.96	309.77	1.78	-40.18
O=S(=O)(C1=CC=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220389	1	35	-1.0	-41.97	309.84	1.79	-40.18
O=S(=O)(C1=CC=CC2=C1OCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020220390	0	37	-1.0	-42.79	314.32	1.31	-41.48
O=S(=O)(C1=CC=CC2=C1OCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020220390	1	37	-1.0	-42.84	314.40	1.31	-41.53
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220391	0	40	-1.0	-42.25	352.88	3.23	-39.02
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220391	1	40	-1.0	-42.27	352.95	3.24	-39.03
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220392	0	43	-1.0	-43.83	373.87	4.04	-39.79
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220392	1	43	-1.0	-43.84	373.94	4.06	-39.78
O=S(=O)(C1=CC(Br)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220393	0	31	-1.0	-39.85	304.63	2.63	-37.22
O=S(=O)(C1=CC(Br)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220393	1	31	-1.0	-39.90	304.71	2.64	-37.26
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020220394	0	39	-1.0	-44.53	345.88	-0.95	-45.48
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020220394	1	39	-1.0	-44.58	345.95	-0.94	-45.52
O=S(=O)(CC1=CC=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020220395	0	34	-1.0	-44.31	323.37	3.04	-41.27
O=S(=O)(CC1=CC=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020220395	1	34	-1.0	-44.35	323.45	3.04	-41.31
COCC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220396	0	38	-1.0	-42.51	331.29	1.37	-41.14
COCC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220396	1	38	-1.0	-42.49	331.36	1.38	-41.11
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220397	0	37	-1.0	-47.30	329.10	3.59	-43.71
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220397	1	37	-1.0	-47.28	329.18	3.60	-43.68
O=[N+]([O-])C1=CC2=C(C=C1S(=O)(=O)N1CCC(C3=N[N-]N=N3)C1)OCCO2	REAL300020220398	0	39	-1.0	-45.43	341.35	2.69	-42.74
O=[N+]([O-])C1=CC2=C(C=C1S(=O)(=O)N1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020220398	1	39	-1.0	-45.45	341.42	2.69	-42.76
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220399	0	34	-1.0	-40.12	316.48	2.62	-37.50
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220399	1	34	-1.0	-40.14	316.55	2.63	-37.51
O=S(=O)(C1=CC(Br)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220400	0	31	-1.0	-37.25	304.73	2.28	-34.97
O=S(=O)(C1=CC(Br)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220400	1	31	-1.0	-37.25	304.80	2.30	-34.95
O=S(=O)(C1=CC=C(F)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220401	0	34	-1.0	-39.24	309.69	3.07	-36.17
O=S(=O)(C1=CC=C(F)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220401	1	34	-1.0	-39.28	309.76	3.08	-36.20
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220402	0	40	-1.0	-48.19	355.31	3.55	-44.64
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220402	1	40	-1.0	-48.16	355.23	3.54	-44.62
O=S(=O)(CC1=CC=C(Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220403	0	33	-1.0	-42.92	311.47	1.08	-41.84
O=S(=O)(CC1=CC=C(Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220403	1	33	-1.0	-42.91	311.40	1.07	-41.84
O=S(=O)(CC1CCCCO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220404	0	38	-1.0	-42.18	313.38	0.94	-41.24
O=S(=O)(CC1CCCCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220404	1	38	-1.0	-42.17	313.45	0.96	-41.21
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020220405	0	40	-1.0	-41.64	357.42	3.26	-38.38
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020220405	1	40	-1.0	-41.65	357.49	3.26	-38.39
O=S(=O)(C1=CC(F)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220406	0	31	-1.0	-40.07	289.74	2.07	-38.00
O=S(=O)(C1=CC(F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220406	1	31	-1.0	-40.12	289.81	2.09	-38.03
O=S(=O)(C1=C(Cl)N=C2SC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220407	0	31	-1.0	-42.04	308.17	1.81	-40.23
O=S(=O)(C1=C(Cl)N=C2SC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220407	1	31	-1.0	-41.97	308.10	1.80	-40.17
O=S(=O)(C1=CC=C2COCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220408	0	36	-1.0	-41.92	311.94	0.99	-40.93
O=S(=O)(C1=CC=C2COCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220408	1	36	-1.0	-41.92	312.01	1.00	-40.92
CC(C1CC1)N(C)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220409	0	39	-1.0	-41.13	321.51	1.70	-39.43
CC(C1CC1)N(C)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220409	1	39	-1.0	-41.15	321.58	1.70	-39.45
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220410	0	40	-1.0	-48.50	355.08	3.06	-45.44
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220410	1	40	-1.0	-48.52	355.15	3.07	-45.45
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=CO1	REAL300020220411	0	40	-1.0	-45.38	352.97	0.74	-44.64
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=CO1	REAL300020220411	1	40	-1.0	-45.35	352.90	0.72	-44.63
O=S(=O)(CCOCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220412	0	34	-1.0	-46.89	314.60	-0.14	-47.03
O=S(=O)(CCOCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220412	1	34	-1.0	-46.92	314.67	-0.13	-47.05
COC(=O)CCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220413	0	36	-1.0	-53.47	316.46	0.96	-52.51
COC(=O)CCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220413	1	36	-1.0	-53.45	316.53	0.97	-52.48
CCOC(=O)CCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220414	0	39	-1.0	-53.18	338.32	1.87	-51.31
CCOC(=O)CCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220414	1	39	-1.0	-53.16	338.39	1.89	-51.27
CCOC(=O)CCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220415	0	36	-1.0	-47.11	316.82	1.11	-46.00
CCOC(=O)CCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220415	1	36	-1.0	-47.12	316.89	1.12	-46.00
CC1CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020220416	0	39	-1.0	-41.28	333.03	2.30	-38.98
CC1CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020220416	1	39	-1.0	-41.32	333.10	2.31	-39.01
O=S(=O)(CC1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220417	0	34	-1.0	-44.35	327.31	3.29	-41.06
O=S(=O)(CC1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220417	1	34	-1.0	-44.39	327.38	3.30	-41.09
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2S1	REAL300020220418	0	40	-1.0	-43.23	345.08	4.53	-38.70
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2S1	REAL300020220418	1	40	-1.0	-43.29	345.16	4.54	-38.75
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020220419	0	34	-1.0	-44.88	299.24	2.27	-42.61
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020220419	1	34	-1.0	-44.87	299.31	2.27	-42.60
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020220420	0	38	-1.0	-44.03	347.53	1.15	-42.88
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020220420	1	38	-1.0	-43.99	347.61	1.17	-42.82
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220421	0	50	-1.0	-42.50	382.28	5.07	-37.43
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220421	1	50	-1.0	-42.47	382.33	5.08	-37.39
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020220422	0	35	-1.0	-39.73	328.16	1.84	-37.89
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020220422	1	35	-1.0	-39.73	328.24	1.84	-37.89
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020220423	0	34	-1.0	-39.74	302.94	2.35	-37.39
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020220423	1	34	-1.0	-39.75	303.01	2.36	-37.39
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020220424	0	41	-1.0	-44.79	358.01	3.51	-41.28
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C=C1	REAL300020220424	1	41	-1.0	-44.77	357.94	3.49	-41.28
O=C(OCC1=CC=CC=C1)N1CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020220425	0	46	-1.0	-47.50	400.17	3.07	-44.43
O=C(OCC1=CC=CC=C1)N1CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020220425	1	46	-1.0	-47.50	400.25	3.08	-44.42
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020220426	0	34	-1.0	-44.69	315.75	0.45	-44.24
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020220426	1	34	-1.0	-44.71	315.82	0.45	-44.26
O=S(=O)(C1=CC=CC2=CC=CN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220427	0	36	-1.0	-48.00	311.77	2.64	-45.36
O=S(=O)(C1=CC=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220427	1	36	-1.0	-48.01	311.69	2.64	-45.37
O=S(=O)(C1=CSC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220428	0	37	-1.0	-42.27	342.48	2.40	-39.87
O=S(=O)(C1=CSC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220428	1	37	-1.0	-42.26	342.40	2.38	-39.88
O=S(=O)(C1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220429	0	37	-1.0	-40.53	359.20	2.92	-37.61
O=S(=O)(C1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220429	1	37	-1.0	-40.49	359.12	2.91	-37.58
O=S(=O)(C1CC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220430	0	38	-1.0	-41.54	321.67	3.54	-38.00
O=S(=O)(C1CC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220430	1	38	-1.0	-41.55	321.74	3.54	-38.01
O=S(=O)(C1=CC(F)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220431	0	31	-1.0	-37.55	290.41	1.74	-35.81
O=S(=O)(C1=CC(F)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220431	1	31	-1.0	-37.61	290.48	1.75	-35.86
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220432	0	43	-1.0	-44.33	358.61	0.22	-44.11
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220432	1	43	-1.0	-44.32	358.69	0.24	-44.08
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020220433	0	40	-1.0	-46.03	335.17	2.65	-43.38
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020220433	1	40	-1.0	-45.99	335.24	2.67	-43.32
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220434	0	35	-1.0	-42.54	312.19	1.28	-41.26
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220434	1	35	-1.0	-42.53	312.27	1.29	-41.24
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1Cl	REAL300020220435	0	33	-1.0	-39.34	306.94	0.88	-38.46
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1Cl	REAL300020220435	1	33	-1.0	-39.31	306.86	0.88	-38.43
COC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220436	0	37	-1.0	-46.64	333.76	-0.73	-47.37
COC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220436	1	37	-1.0	-46.60	333.84	-0.71	-47.31
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1C	REAL300020220437	0	41	-1.0	-41.94	328.73	2.08	-39.86
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1C	REAL300020220437	1	41	-1.0	-41.94	328.80	2.09	-39.85
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220438	0	40	-1.0	-49.58	352.70	3.10	-46.48
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220438	1	40	-1.0	-49.60	352.77	3.11	-46.49
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(=O)N(C)C	REAL300020220439	0	45	-1.0	-46.83	379.63	1.07	-45.76
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(=O)N(C)C	REAL300020220439	1	45	-1.0	-46.80	379.71	1.08	-45.72
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020220440	0	42	-1.0	-58.19	356.73	2.77	-55.42
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020220440	1	42	-1.0	-58.20	356.81	2.78	-55.42
O=[N+]([O-])C1=NC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220441	0	32	-1.0	-45.25	293.57	2.61	-42.64
O=[N+]([O-])C1=NC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220441	1	32	-1.0	-45.21	293.50	2.61	-42.60
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220442	0	43	-1.0	-44.31	354.50	2.26	-42.05
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220442	1	43	-1.0	-44.28	354.57	2.27	-42.01
O=S(=O)(CC1=CC=CC2=CC=CN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220443	0	39	-1.0	-54.15	339.39	2.94	-51.21
O=S(=O)(CC1=CC=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220443	1	39	-1.0	-54.10	339.32	2.93	-51.17
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220444	0	37	-1.0	-43.67	347.72	2.80	-40.87
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220444	1	37	-1.0	-43.68	347.80	2.81	-40.87
CCN1N=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020220445	0	40	-1.0	-44.00	334.11	1.58	-42.42
CCN1N=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020220445	1	40	-1.0	-44.03	334.18	1.60	-42.43
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020220446	0	40	-1.0	-42.50	347.04	2.85	-39.65
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020220446	1	40	-1.0	-42.52	347.12	2.85	-39.67
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020220447	0	36	-1.0	-40.33	320.46	2.84	-37.49
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020220447	1	36	-1.0	-40.34	320.53	2.84	-37.50
COC(=O)CCN(C)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220448	0	38	-1.0	-43.85	330.20	0.57	-43.28
COC(=O)CCN(C)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220448	1	38	-1.0	-43.86	330.27	0.58	-43.28
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220449	0	40	-1.0	-48.12	340.55	2.97	-45.15
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220449	1	40	-1.0	-48.07	340.48	2.95	-45.12
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020220450	0	37	-1.0	-44.01	339.65	2.32	-41.69
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020220450	1	37	-1.0	-44.04	339.72	2.32	-41.72
CS(=O)(=O)CCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220451	0	36	-1.0	-60.49	324.63	-2.29	-62.78
CS(=O)(=O)CCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220451	1	36	-1.0	-60.53	324.70	-2.28	-62.81
O=C1NCCC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020220452	0	39	-1.0	-55.41	335.79	0.09	-55.32
O=C1NCCC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020220452	1	39	-1.0	-55.38	335.86	0.10	-55.28
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220453	0	40	-1.0	-56.79	360.77	-0.13	-56.92
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220453	1	40	-1.0	-56.81	360.84	-0.12	-56.93
CCOC(=O)N1CCC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220454	0	45	-1.0	-42.73	367.76	1.58	-41.15
CCOC(=O)N1CCC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220454	1	45	-1.0	-42.75	367.83	1.59	-41.16
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220455	0	32	-1.0	-42.34	300.81	2.10	-40.24
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220455	1	32	-1.0	-42.39	300.88	2.11	-40.28
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220456	0	35	-1.0	-38.77	304.42	2.55	-36.22
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220456	1	35	-1.0	-38.79	304.49	2.55	-36.24
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220457	0	35	-2.0	-85.35	334.36	0.69	-84.66
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220457	1	35	-2.0	-85.34	334.42	0.69	-84.65
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220457	1	35	-2.0	-85.35	334.43	0.70	-84.65
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220457	1	35	-2.0	-85.33	334.49	0.69	-84.64
CC(=O)NC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020220458	0	38	-1.0	-44.68	338.23	0.65	-44.03
CC(=O)NC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020220458	1	38	-1.0	-44.74	338.30	0.66	-44.08
O=S(=O)(CC1CCCOC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220459	0	38	-1.0	-48.49	309.46	0.40	-48.09
O=S(=O)(CC1CCCOC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220459	1	38	-1.0	-48.49	309.53	0.42	-48.07
CS(=O)(=O)CCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220460	0	33	-1.0	-51.41	303.77	-3.07	-54.48
CS(=O)(=O)CCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220460	1	33	-1.0	-51.40	303.84	-3.06	-54.46
O=S(=O)(CCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220461	0	37	-1.0	-43.96	321.76	3.19	-40.77
O=S(=O)(CCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220461	1	37	-1.0	-43.97	321.83	3.19	-40.78
O=S(=O)(C1=CC=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220462	0	30	-1.0	-42.70	293.20	0.42	-42.28
O=S(=O)(C1=CC=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220462	1	30	-1.0	-42.72	293.12	0.40	-42.32
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220463	0	43	-1.0	-40.99	332.30	4.62	-36.37
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220463	1	43	-1.0	-40.95	332.38	4.63	-36.32
O=S(=O)(C1CCC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220464	0	41	-1.0	-41.12	337.51	4.06	-37.06
O=S(=O)(C1CCC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220464	1	41	-1.0	-41.13	337.58	4.06	-37.07
CC1=NC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020220465	0	36	-1.0	-44.01	319.62	-0.65	-44.66
CC1=NC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020220465	1	36	-1.0	-44.02	319.69	-0.64	-44.66
CC1CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC(Cl)=C2O1	REAL300020220466	0	39	-1.0	-39.90	349.75	2.80	-37.10
CC1CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC(Cl)=C2O1	REAL300020220466	1	39	-1.0	-39.92	349.82	2.81	-37.11
CC(=O)NC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020220467	0	41	-1.0	-54.09	350.56	1.48	-52.61
CC(=O)NC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020220467	1	41	-1.0	-54.06	350.64	1.49	-52.57
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020220468	0	45	-1.0	-57.62	369.21	3.30	-54.32
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020220468	1	45	-1.0	-57.67	369.28	3.31	-54.36
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220469	0	35	-1.0	-42.67	313.62	2.16	-40.51
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220469	1	35	-1.0	-42.67	313.69	2.17	-40.50
O=S(=O)(C1=CN=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220470	0	30	-1.0	-38.16	303.13	0.78	-37.38
O=S(=O)(C1=CN=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220470	1	30	-1.0	-38.15	303.05	0.77	-37.38
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220471	0	35	-1.0	-40.25	304.78	2.55	-37.70
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220471	1	35	-1.0	-40.23	304.85	2.56	-37.67
O=C1OCCN1C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220472	0	40	-1.0	-51.21	344.41	1.73	-49.48
O=C1OCCN1C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220472	1	40	-1.0	-51.25	344.49	1.74	-49.51
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC	REAL300020220473	0	41	-1.0	-43.67	358.31	2.36	-41.31
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC	REAL300020220473	1	41	-1.0	-43.67	358.38	2.36	-41.31
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020220474	0	32	-1.0	-43.64	298.57	1.96	-41.68
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020220474	1	32	-1.0	-43.68	298.65	1.97	-41.71
O=S(=O)(C1=C(Cl)C=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220475	0	34	-1.0	-43.93	306.28	3.28	-40.65
O=S(=O)(C1=C(Cl)C=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220475	1	34	-1.0	-43.94	306.35	3.29	-40.65
N#CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220476	0	32	-1.0	-43.24	291.32	1.73	-41.51
N#CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220476	1	32	-1.0	-43.29	291.39	1.74	-41.55
CN(C1CCOCC1)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220477	0	40	-1.0	-41.22	324.29	-0.27	-41.49
CN(C1CCOCC1)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220477	1	40	-1.0	-41.24	324.36	-0.27	-41.51
CC(C)N1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020220478	0	37	-1.0	-43.82	320.80	0.80	-43.02
CC(C)N1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020220478	1	37	-1.0	-43.80	320.73	0.79	-43.01
O=S(=O)(C1=CC2=CC=CN=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220479	0	36	-1.0	-44.81	317.01	2.10	-42.71
O=S(=O)(C1=CC2=CC=CN=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220479	1	36	-1.0	-44.81	316.93	2.08	-42.73
COC(=O)CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020220480	0	37	-1.0	-49.02	335.63	0.44	-48.58
COC(=O)CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020220480	1	37	-1.0	-48.99	335.56	0.44	-48.55
CC(C)C1=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1	REAL300020220481	0	37	-1.0	-43.74	320.02	0.10	-43.64
CC(C)C1=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1	REAL300020220481	1	37	-1.0	-43.75	320.09	0.11	-43.64
O=S(=O)(CC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220482	0	34	-1.0	-44.39	321.58	3.02	-41.37
O=S(=O)(CC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220482	1	34	-1.0	-44.42	321.65	3.03	-41.39
O=S(=O)(C1=CC2=CC=C(Cl)N=C2C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220483	0	36	-1.0	-42.02	335.37	2.47	-39.55
O=S(=O)(C1=CC2=CC=C(Cl)N=C2C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220483	1	36	-1.0	-41.99	335.29	2.46	-39.53
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=N1	REAL300020220484	0	40	-1.0	-44.79	342.97	2.86	-41.93
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=N1	REAL300020220484	1	40	-1.0	-44.74	342.90	2.86	-41.88
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220485	0	35	-1.0	-46.74	324.61	2.67	-44.07
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220485	1	35	-1.0	-46.73	324.68	2.67	-44.06
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220486	0	43	-1.0	-39.79	333.07	4.48	-35.31
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220486	1	43	-1.0	-39.81	333.14	4.48	-35.33
O=S(=O)(C1=CC(F)=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220487	0	31	-1.0	-38.59	295.22	1.84	-36.75
O=S(=O)(C1=CC(F)=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220487	1	31	-1.0	-38.60	295.29	1.84	-36.76
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220488	0	40	-1.0	-50.37	345.08	3.49	-46.88
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220488	1	40	-1.0	-50.40	345.15	3.49	-46.91
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220489	0	42	-1.0	-42.67	359.08	3.51	-39.16
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220489	1	42	-1.0	-42.66	359.15	3.52	-39.14
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1C	REAL300020220490	0	38	-1.0	-43.89	337.14	1.80	-42.09
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1C	REAL300020220490	1	38	-1.0	-43.92	337.21	1.82	-42.10
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220491	0	46	-1.0	-43.82	366.17	4.44	-39.38
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220491	1	46	-1.0	-43.80	366.24	4.45	-39.35
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220492	0	39	-1.0	-46.21	342.29	1.05	-45.16
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220492	1	39	-1.0	-46.26	342.36	1.05	-45.21
O=S(=O)(C1=CN(C2=CC=CC=C2F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220493	0	38	-1.0	-45.79	341.00	2.99	-42.80
O=S(=O)(C1=CN(C2=CC=CC=C2F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220493	1	38	-1.0	-45.81	340.93	2.98	-42.83
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020220494	0	41	-1.0	-38.49	364.66	3.66	-34.83
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020220494	1	41	-1.0	-38.53	364.74	3.67	-34.86
CC1=CC(Br)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220495	0	31	-1.0	-40.48	306.36	2.25	-38.23
CC1=CC(Br)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220495	1	31	-1.0	-40.49	306.43	2.27	-38.22
O=S(=O)(C1=CC=C(Br)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220496	0	31	-1.0	-38.08	303.23	2.32	-35.76
O=S(=O)(C1=CC=C(Br)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220496	1	31	-1.0	-38.08	303.30	2.32	-35.76
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220497	0	41	-1.0	-52.92	343.37	1.90	-51.02
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220497	1	41	-1.0	-52.93	343.44	1.92	-51.01
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C)=C1F	REAL300020220498	0	37	-1.0	-39.31	323.00	3.03	-36.28
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1F	REAL300020220498	1	37	-1.0	-39.33	323.07	3.04	-36.29
O=S(=O)(C1=CC=C(F)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220499	0	31	-1.0	-38.03	303.22	2.32	-35.71
O=S(=O)(C1=CC=C(F)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220499	1	31	-1.0	-38.05	303.29	2.32	-35.73
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1Cl	REAL300020220500	0	35	-1.0	-46.87	326.17	1.80	-45.07
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1Cl	REAL300020220500	1	35	-1.0	-46.86	326.24	1.80	-45.06
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2S1	REAL300020220501	0	45	-1.0	-43.05	389.30	3.61	-39.44
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2S1	REAL300020220501	1	45	-1.0	-43.02	389.23	3.60	-39.42
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020220502	0	42	-1.0	-45.93	363.78	2.48	-43.45
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020220502	1	42	-1.0	-45.90	363.71	2.46	-43.44
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220503	0	32	-1.0	-46.61	302.29	2.18	-44.43
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220503	1	32	-1.0	-46.63	302.36	2.18	-44.45
O=[N+]([O-])C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220504	0	33	-1.0	-41.08	307.96	4.23	-36.85
O=[N+]([O-])C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220504	1	33	-1.0	-41.12	308.04	4.23	-36.89
O=S(=O)(CC1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220505	0	38	-1.0	-43.68	310.36	0.40	-43.28
O=S(=O)(CC1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220505	1	38	-1.0	-43.71	310.43	0.41	-43.30
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1	REAL300020220506	0	35	-1.0	-42.91	319.61	0.01	-42.90
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1	REAL300020220506	1	35	-1.0	-42.93	319.69	0.02	-42.91
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220507	0	34	-1.0	-41.12	291.40	2.18	-38.94
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220507	1	34	-1.0	-41.10	291.47	2.20	-38.90
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020220508	0	40	-1.0	-42.92	346.79	2.87	-40.05
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020220508	1	40	-1.0	-42.94	346.86	2.88	-40.06
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020220509	0	34	-1.0	-41.37	315.47	2.87	-38.50
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020220509	1	34	-1.0	-41.40	315.54	2.89	-38.51
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020220510	0	34	-1.0	-46.83	323.47	1.34	-45.49
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020220510	1	34	-1.0	-46.81	323.55	1.35	-45.46
CC1(C)CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020220511	0	42	-1.0	-41.84	353.40	2.94	-38.90
CC1(C)CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020220511	1	42	-1.0	-41.87	353.48	2.95	-38.92
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(F)C=C1F	REAL300020220512	0	34	-1.0	-38.35	304.44	2.31	-36.04
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(F)C=C1F	REAL300020220512	1	34	-1.0	-38.34	304.51	2.33	-36.01
O=S(=O)(C1=C(Cl)C=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220513	0	37	-1.0	-44.49	323.96	4.58	-39.91
O=S(=O)(C1=C(Cl)C=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220513	1	37	-1.0	-44.47	324.03	4.58	-39.89
CC1=NC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220514	0	33	-1.0	-40.36	303.76	0.17	-40.19
CC1=NC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220514	1	33	-1.0	-40.39	303.83	0.18	-40.21
N#CCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220515	0	35	-1.0	-51.25	317.99	2.82	-48.43
N#CCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220515	1	35	-1.0	-51.23	318.06	2.84	-48.39
COC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020220516	0	35	-1.0	-40.30	326.13	1.62	-38.68
COC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020220516	1	35	-1.0	-40.34	326.21	1.63	-38.71
COC1=CC=C(Br)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220517	0	35	-1.0	-42.11	314.78	1.39	-40.72
COC1=CC=C(Br)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220517	1	35	-1.0	-42.07	314.85	1.39	-40.68
COC(=O)CC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220518	0	40	-1.0	-44.82	342.51	2.16	-42.66
COC(=O)CC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220518	1	40	-1.0	-44.78	342.58	2.16	-42.62
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220519	0	39	-1.0	-38.78	329.65	3.88	-34.90
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220519	1	39	-1.0	-38.79	329.72	3.89	-34.90
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220520	0	41	-1.0	-50.02	349.86	-2.65	-52.67
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220520	1	41	-1.0	-50.02	349.93	-2.64	-52.66
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020220521	0	37	-1.0	-41.89	335.55	2.33	-39.56
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020220521	1	37	-1.0	-41.92	335.62	2.33	-39.59
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220522	0	41	-1.0	-48.06	354.34	2.19	-45.87
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220522	1	41	-1.0	-48.04	354.41	2.19	-45.85
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220523	0	43	-1.0	-40.66	356.10	3.35	-37.31
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220523	1	43	-1.0	-40.68	356.17	3.35	-37.33
COC(=O)CC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220524	0	40	-1.0	-44.82	342.51	2.16	-42.66
COC(=O)CC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220524	1	40	-1.0	-44.78	342.58	2.16	-42.62
CC1=C(Br)SC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220525	0	31	-1.0	-37.80	309.18	2.02	-35.78
CC1=C(Br)SC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220525	1	31	-1.0	-37.79	309.26	2.03	-35.76
CCC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220526	0	37	-1.0	-41.00	319.11	3.08	-37.92
CCC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220526	1	37	-1.0	-41.05	319.18	3.09	-37.96
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220527	0	38	-1.0	-49.60	340.14	-3.59	-53.19
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220527	1	38	-1.0	-49.63	340.21	-3.59	-53.22
O=S(=O)(C1=CC2=CC(Cl)=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220528	0	34	-1.0	-40.12	331.85	3.61	-36.51
O=S(=O)(C1=CC2=CC(Cl)=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220528	1	34	-1.0	-40.12	331.92	3.61	-36.51
CC1=CC(F)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220529	0	34	-1.0	-42.16	304.03	2.37	-39.79
CC1=CC(F)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220529	1	34	-1.0	-42.19	304.10	2.38	-39.81
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220530	0	37	-1.0	-37.34	322.40	3.15	-34.19
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220530	1	37	-1.0	-37.36	322.47	3.15	-34.21
O=S(=O)(C1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220531	0	37	-1.0	-44.39	311.65	3.68	-40.71
O=S(=O)(C1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220531	1	37	-1.0	-44.43	311.72	3.69	-40.74
O=S(=O)(C1=CN=C2C=CSC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220532	0	33	-1.0	-44.00	308.27	1.13	-42.87
O=S(=O)(C1=CN=C2C=CSC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220532	1	33	-1.0	-43.99	308.19	1.13	-42.86
CN1CCCC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020220533	0	43	-1.0	-44.28	350.42	2.21	-42.07
CN1CCCC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020220533	1	43	-1.0	-44.31	350.49	2.21	-42.10
CC1=CC(Cl)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020220534	0	36	-1.0	-39.16	326.99	3.16	-36.00
CC1=CC(Cl)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020220534	1	36	-1.0	-39.15	327.07	3.16	-35.99
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020220535	0	38	-1.0	-44.58	346.11	1.18	-43.40
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020220535	1	38	-1.0	-44.57	346.18	1.19	-43.38
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020220536	0	37	-1.0	-44.76	337.61	1.37	-43.39
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020220536	1	37	-1.0	-44.77	337.68	1.38	-43.39
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220537	0	33	-1.0	-40.85	310.59	2.43	-38.42
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220537	1	33	-1.0	-40.84	310.66	2.44	-38.40
O=S(=O)(C1=CC=CC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020220538	0	41	-1.0	-41.65	333.38	4.46	-37.19
O=S(=O)(C1=CC=CC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020220538	1	41	-1.0	-41.67	333.45	4.47	-37.20
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020220539	0	35	-1.0	-39.45	332.87	2.84	-36.61
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020220539	1	35	-1.0	-39.49	332.94	2.84	-36.65
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220540	0	37	-1.0	-41.14	335.48	1.21	-39.93
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220540	1	37	-1.0	-41.19	335.55	1.23	-39.96
O=C1C=CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020220541	0	37	-1.0	-44.60	327.35	0.76	-43.84
O=C1C=CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020220541	1	37	-1.0	-44.61	327.42	0.78	-43.83
CC1=CC=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020220542	0	40	-1.0	-42.26	338.46	3.59	-38.67
CC1=CC=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020220542	1	40	-1.0	-42.25	338.53	3.59	-38.66
O=S(=O)(C1=CSC2=CC=C(Cl)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220543	0	34	-1.0	-40.37	323.17	3.33	-37.04
O=S(=O)(C1=CSC2=CC=C(Cl)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220543	1	34	-1.0	-40.34	323.24	3.34	-37.00
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220544	0	38	-1.0	-42.85	351.91	1.55	-41.30
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220544	1	38	-1.0	-42.89	351.98	1.56	-41.33
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220545	0	36	-1.0	-44.03	335.11	1.99	-42.04
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220545	1	36	-1.0	-44.01	335.04	1.99	-42.02
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220546	0	34	-1.0	-40.25	304.24	2.67	-37.58
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220546	1	34	-1.0	-40.25	304.31	2.68	-37.57
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020220547	0	42	-1.0	-41.93	359.52	1.16	-40.77
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020220547	1	42	-1.0	-41.98	359.59	1.16	-40.82
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Br)S1	REAL300020220548	0	31	-1.0	-35.90	298.54	1.90	-34.00
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Br)S1	REAL300020220548	1	31	-1.0	-35.92	298.61	1.90	-34.02
O=S(=O)(C1=CC=C(Cl)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220549	0	37	-1.0	-40.66	326.01	4.10	-36.56
O=S(=O)(C1=CC=C(Cl)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220549	1	37	-1.0	-40.63	326.08	4.12	-36.51
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(F)=C1F	REAL300020220550	0	37	-1.0	-41.68	341.83	2.38	-39.30
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(F)=C1F	REAL300020220550	1	37	-1.0	-41.73	341.90	2.38	-39.35
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=CC=CC(F)=C21	REAL300020220551	0	37	-1.0	-42.52	336.19	3.78	-38.74
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=CC=CC(F)=C21	REAL300020220551	1	37	-1.0	-42.49	336.26	3.78	-38.71
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N(C)C	REAL300020220552	0	42	-1.0	-41.82	350.83	2.30	-39.52
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N(C)C	REAL300020220552	1	42	-1.0	-41.81	350.90	2.30	-39.51
COC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020220553	0	32	-1.0	-44.29	297.49	0.36	-43.93
COC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020220553	1	32	-1.0	-44.29	297.56	0.36	-43.93
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220554	0	40	-1.0	-45.56	358.39	0.07	-45.49
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220554	1	40	-1.0	-45.53	358.47	0.08	-45.45
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=C(F)C=C21	REAL300020220555	0	37	-1.0	-42.41	332.98	2.75	-39.66
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=C(F)C=C21	REAL300020220555	1	37	-1.0	-42.42	333.05	2.76	-39.66
O=S(=O)(C1=CC=CC2=NON=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220556	0	32	-1.0	-51.15	290.33	0.46	-50.69
O=S(=O)(C1=CC=CC2=NON=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220556	1	32	-1.0	-51.11	290.26	0.46	-50.65
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020220557	0	39	-1.0	-45.78	323.26	4.42	-41.36
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020220557	1	39	-1.0	-45.81	323.33	4.42	-41.39
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)S2)=CS1	REAL300020220558	0	37	-1.0	-43.15	355.73	2.23	-40.92
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)S2)=CS1	REAL300020220558	1	37	-1.0	-43.19	355.66	2.23	-40.96
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220559	0	32	-1.0	-38.00	293.95	-0.47	-38.47
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220559	1	32	-1.0	-38.01	293.88	-0.48	-38.49
CC1=NC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220560	0	30	-1.0	-41.05	284.51	-0.47	-41.52
CC1=NC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220560	1	30	-1.0	-41.04	284.58	-0.46	-41.50
O=S(=O)(CC1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220561	0	34	-1.0	-41.89	322.64	2.94	-38.95
O=S(=O)(CC1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220561	1	34	-1.0	-41.90	322.71	2.95	-38.95
O=C(CCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020220562	0	43	-1.0	-44.65	377.36	4.16	-40.49
O=C(CCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020220562	1	43	-1.0	-44.66	377.43	4.16	-40.50
COC(=O)C(C)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220563	0	36	-1.0	-43.12	311.06	0.92	-42.20
COC(=O)C(C)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220563	1	36	-1.0	-43.13	311.14	0.93	-42.20
O=C1NC(=O)C2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C2N1	REAL300020220564	0	36	-1.0	-41.08	326.89	-2.89	-43.97
O=C1NC(=O)C2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C2N1	REAL300020220564	1	36	-1.0	-41.09	326.96	-2.89	-43.98
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220565	0	45	-1.0	-44.47	368.55	3.72	-40.75
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220565	1	45	-1.0	-44.50	368.62	3.73	-40.77
O=S(=O)(C1=CC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220566	0	34	-1.0	-42.55	305.73	2.09	-40.46
O=S(=O)(C1=CC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220566	1	34	-1.0	-42.52	305.80	2.10	-40.42
CC1=NC2=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C2C=C1	REAL300020220567	0	39	-1.0	-48.28	332.45	3.19	-45.09
CC1=NC2=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C2C=C1	REAL300020220567	1	39	-1.0	-48.24	332.52	3.19	-45.05
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC(Cl)=CC=C2S1	REAL300020220568	0	37	-1.0	-43.29	338.83	4.45	-38.84
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC(Cl)=CC=C2S1	REAL300020220568	1	37	-1.0	-43.28	338.91	4.45	-38.83
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220569	0	33	-1.0	-45.48	311.79	0.45	-45.03
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220569	1	33	-1.0	-45.47	311.71	0.45	-45.02
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220570	0	36	-1.0	-38.40	318.65	2.83	-35.57
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220570	1	36	-1.0	-38.44	318.73	2.84	-35.60
O=[N+]([O-])C1=CC=CC=C1CCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220571	0	39	-1.0	-48.39	341.44	3.57	-44.82
O=[N+]([O-])C1=CC=CC=C1CCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220571	1	39	-1.0	-48.41	341.51	3.59	-44.82
O=[N+]([O-])C1=CC=C(CCS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220572	0	39	-1.0	-48.26	349.99	3.86	-44.40
O=[N+]([O-])C1=CC=C(CCS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220572	1	39	-1.0	-48.28	350.06	3.86	-44.42
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220573	0	32	-1.0	-40.15	318.09	2.69	-37.46
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220573	1	32	-1.0	-40.17	318.17	2.71	-37.46
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1	REAL300020220574	0	44	-1.0	-44.54	371.21	2.33	-42.21
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020220574	1	44	-1.0	-44.57	371.28	2.34	-42.23
CC1=CC(F)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020220575	0	34	-1.0	-39.90	304.40	2.32	-37.58
CC1=CC(F)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020220575	1	34	-1.0	-39.88	304.47	2.34	-37.54
CC1=NN2C=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=NC2=C1Cl	REAL300020220576	0	36	-1.0	-42.42	336.96	1.66	-40.76
CC1=NN2C=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=NC2=C1Cl	REAL300020220576	1	36	-1.0	-42.43	337.03	1.68	-40.75
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020220577	0	37	-1.0	-40.79	343.53	2.69	-38.10
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020220577	1	37	-1.0	-40.79	343.60	2.70	-38.09
O=S(=O)(CC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220578	0	34	-1.0	-43.90	333.73	3.42	-40.48
O=S(=O)(CC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220578	1	34	-1.0	-43.90	333.81	3.42	-40.48
COC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020220579	0	37	-1.0	-42.67	331.74	2.40	-40.27
COC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020220579	1	37	-1.0	-42.69	331.81	2.40	-40.29
COC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020220580	0	39	-1.0	-43.29	334.95	0.30	-42.99
COC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020220580	1	39	-1.0	-43.29	335.03	0.31	-42.98
CC1=C(Br)SC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020220581	0	30	-1.0	-39.11	304.12	0.01	-39.10
CC1=C(Br)SC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020220581	1	30	-1.0	-39.12	304.20	0.03	-39.09
COCCOCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220582	0	38	-1.0	-43.59	329.28	-1.35	-44.94
COCCOCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220582	1	38	-1.0	-43.58	329.35	-1.34	-44.92
O=S(=O)(C1=CC=C2CCS(=O)(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220583	0	38	-1.0	-57.99	340.58	-0.44	-58.43
O=S(=O)(C1=CC=C2CCS(=O)(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220583	1	38	-1.0	-58.02	340.65	-0.43	-58.45
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220584	0	37	-1.0	-43.80	335.87	2.82	-40.98
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220584	1	37	-1.0	-43.78	335.94	2.83	-40.95
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2F)N=C1	REAL300020220585	0	41	-1.0	-43.34	359.88	3.52	-39.82
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2F)N=C1	REAL300020220585	1	41	-1.0	-43.33	359.81	3.51	-39.82
O=S(=O)(CCNS(=O)(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220586	0	42	-1.0	-47.89	376.28	-1.27	-49.16
O=S(=O)(CCNS(=O)(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220586	1	42	-1.0	-47.88	376.36	-1.27	-49.15
N#CC1=CC(F)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020220587	0	32	-1.0	-40.97	305.29	2.38	-38.59
N#CC1=CC(F)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020220587	1	32	-1.0	-40.95	305.37	2.39	-38.56
O=[N+]([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220588	0	36	-1.0	-48.97	318.38	3.46	-45.51
O=[N+]([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220588	1	36	-1.0	-48.92	318.45	3.47	-45.45
O=S(=O)(C1=CC=CC2=CC=C(Cl)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220589	0	37	-1.0	-46.91	327.65	4.19	-42.72
O=S(=O)(C1=CC=CC2=CC=C(Cl)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220589	1	37	-1.0	-46.96	327.72	4.19	-42.77
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020220590	0	37	-1.0	-47.65	341.31	-0.80	-48.45
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020220590	1	37	-1.0	-47.66	341.38	-0.80	-48.46
O=S(=O)(C1=CC2=CC(F)=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220591	0	34	-1.0	-40.51	321.54	3.17	-37.34
O=S(=O)(C1=CC2=CC(F)=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220591	1	34	-1.0	-40.52	321.62	3.17	-37.35
O=S(=O)(CCC1CCCO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220592	0	38	-1.0	-46.73	317.50	0.53	-46.20
O=S(=O)(CCC1CCCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220592	1	38	-1.0	-46.74	317.58	0.54	-46.20
N#CC1=CC(F)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220593	0	32	-1.0	-46.83	291.96	1.73	-45.10
N#CC1=CC(F)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220593	1	32	-1.0	-46.84	292.03	1.73	-45.11
CN1C=NC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020220594	0	37	-1.0	-49.61	324.31	3.05	-46.56
CN1C=NC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020220594	1	37	-1.0	-49.63	324.24	3.05	-46.58
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220595	0	36	-1.0	-46.39	323.73	2.40	-43.99
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220595	1	36	-1.0	-46.40	323.81	2.41	-43.99
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020220596	0	43	-1.0	-43.23	366.76	3.25	-39.98
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020220596	1	43	-1.0	-43.19	366.69	3.24	-39.95
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220597	0	36	-1.0	-37.89	326.59	3.18	-34.71
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220597	1	36	-1.0	-37.93	326.67	3.19	-34.74
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220598	0	34	-1.0	-61.14	311.92	2.17	-58.97
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220598	1	34	-1.0	-61.15	311.99	2.17	-58.98
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220599	0	37	-1.0	-44.61	338.87	3.87	-40.74
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220599	1	37	-1.0	-44.62	338.94	3.87	-40.75
O=S(=O)(C1=C(Cl)C=CN=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220600	0	30	-1.0	-40.53	295.01	1.15	-39.38
O=S(=O)(C1=C(Cl)C=CN=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220600	1	30	-1.0	-40.53	294.94	1.13	-39.40
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020220601	0	42	-1.0	-42.84	357.35	2.41	-40.43
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020220601	1	42	-1.0	-42.87	357.28	2.39	-40.48
O=C(NCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020220602	0	45	-1.0	-44.76	393.53	1.09	-43.67
O=C(NCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020220602	1	45	-1.0	-44.79	393.60	1.09	-43.70
CC(C)N1C=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220603	0	37	-1.0	-48.17	321.48	2.10	-46.07
CC(C)N1C=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220603	1	37	-1.0	-48.11	321.41	2.09	-46.02
O=S(=O)(C1=CC(F)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220604	0	31	-1.0	-38.27	299.11	2.27	-36.00
O=S(=O)(C1=CC(F)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220604	1	31	-1.0	-38.28	299.18	2.29	-35.99
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCC(C5=N[N-]N=N5)C4)C=CC1=C23	REAL300020220605	0	42	-1.0	-45.49	355.51	3.33	-42.16
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCC(C5=NN=N[N-]5)C4)C=CC1=C23	REAL300020220605	1	42	-1.0	-45.50	355.58	3.34	-42.16
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Cl)S1	REAL300020220606	0	34	-1.0	-46.35	338.23	-1.47	-47.82
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020220606	1	34	-1.0	-46.37	338.30	-1.47	-47.84
O=S(=O)(C1=CC(F)=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220607	0	31	-1.0	-37.36	304.68	2.28	-35.08
O=S(=O)(C1=CC(F)=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220607	1	31	-1.0	-37.40	304.75	2.30	-35.10
CCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1CC	REAL300020220608	0	43	-1.0	-41.71	353.27	4.22	-37.49
CCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1CC	REAL300020220608	1	43	-1.0	-41.74	353.34	4.22	-37.52
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1F	REAL300020220609	0	36	-1.0	-45.58	329.26	2.96	-42.62
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1F	REAL300020220609	1	36	-1.0	-45.61	329.33	2.97	-42.64
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020220610	0	36	-1.0	-43.49	327.02	0.48	-43.01
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020220610	1	36	-1.0	-43.44	326.94	0.47	-42.97
COC(=O)C1=COC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220611	0	34	-1.0	-43.94	316.08	0.39	-43.55
COC(=O)C1=COC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220611	1	34	-1.0	-43.95	316.16	0.40	-43.55
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220612	0	35	-1.0	-45.09	325.85	2.85	-42.24
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220612	1	35	-1.0	-45.13	325.92	2.86	-42.27
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220613	0	43	-1.0	-46.36	353.50	2.19	-44.17
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220613	1	43	-1.0	-46.29	353.57	2.19	-44.10
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1	REAL300020220614	0	36	-1.0	-37.84	332.97	3.80	-34.04
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020220614	1	36	-1.0	-37.84	333.04	3.81	-34.03
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220615	0	44	-1.0	-49.60	383.16	3.23	-46.37
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220615	1	44	-1.0	-49.65	383.23	3.24	-46.41
O=S(=O)(C1=C(F)C(F)=C(F)C(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220616	0	31	-1.0	-36.34	303.21	2.16	-34.18
O=S(=O)(C1=C(F)C(F)=C(F)C(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220616	1	31	-1.0	-36.34	303.28	2.17	-34.17
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220617	0	39	-1.0	-44.98	339.31	2.92	-42.06
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220617	1	39	-1.0	-44.99	339.38	2.93	-42.06
COCCN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020220618	0	38	-1.0	-43.89	335.80	-0.67	-44.56
COCCN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020220618	1	38	-1.0	-43.90	335.73	-0.69	-44.59
CCN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=N1	REAL300020220619	0	36	-1.0	-44.51	328.37	2.42	-42.09
CCN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=N1	REAL300020220619	1	36	-1.0	-44.50	328.30	2.42	-42.08
O=S(=O)(C1=CC(F)=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020220620	0	31	-1.0	-39.79	292.08	2.15	-37.64
O=S(=O)(C1=CC(F)=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020220620	1	31	-1.0	-39.78	292.16	2.17	-37.61
CC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020220621	0	34	-1.0	-43.16	303.97	2.65	-40.51
CC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020220621	1	34	-1.0	-43.17	304.05	2.66	-40.51
CCCCCCN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC1=O	REAL300020220622	0	49	-1.0	-45.13	409.43	2.36	-42.77
CCCCCCN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC1=O	REAL300020220622	1	49	-1.0	-45.12	409.50	2.36	-42.76
O=S(=O)(C1=CN(C2CCOCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220623	0	42	-1.0	-41.51	353.44	0.20	-41.31
O=S(=O)(C1=CN(C2CCOCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220623	1	42	-1.0	-41.46	353.37	0.20	-41.26
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220624	0	42	-1.0	-40.99	346.07	3.43	-37.56
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220624	1	42	-1.0	-40.96	346.15	3.43	-37.53
CN(C1CCCC1)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220625	0	39	-1.0	-43.22	313.86	1.54	-41.68
CN(C1CCCC1)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220625	1	39	-1.0	-43.28	313.93	1.55	-41.73
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CCC2(CCCCC2)CC1	REAL300020220626	0	49	-1.0	-40.41	364.00	3.32	-37.09
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CCC2(CCCCC2)CC1	REAL300020220626	1	49	-1.0	-40.45	364.07	3.34	-37.11
O=S(=O)(C1=C(F)C=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020220627	0	31	-1.0	-42.47	295.61	2.63	-39.84
O=S(=O)(C1=C(F)C=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020220627	1	31	-1.0	-42.55	295.68	2.65	-39.90
O=S(=O)(CC1=CC(Cl)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220628	0	34	-1.0	-42.92	321.73	2.97	-39.95
O=S(=O)(CC1=CC(Cl)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220628	1	34	-1.0	-42.92	321.80	2.99	-39.93
O=S(=O)(C1=CC2=NC=C(Cl)N=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220629	0	35	-1.0	-43.00	329.06	0.55	-42.45
O=S(=O)(C1=CC2=NC=C(Cl)N=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220629	1	35	-1.0	-43.02	328.99	0.54	-42.48
O=S(=O)(C1=CC=C2N=C(Cl)SC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220630	0	33	-1.0	-40.06	324.31	1.61	-38.45
O=S(=O)(C1=CC=C2N=C(Cl)SC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220630	1	33	-1.0	-40.02	324.24	1.60	-38.42
CN1C(Cl)=NC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220631	0	31	-1.0	-38.99	292.07	0.61	-38.38
CN1C(Cl)=NC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220631	1	31	-1.0	-38.95	292.00	0.60	-38.35
CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1Cl	REAL300020220632	0	31	-1.0	-42.91	296.23	0.54	-42.37
CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1Cl	REAL300020220632	1	31	-1.0	-42.93	296.16	0.53	-42.40
CC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C#N	REAL300020220633	0	35	-1.0	-43.22	304.66	2.19	-41.03
CC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020220633	1	35	-1.0	-43.27	304.74	2.21	-41.06
O=S(=O)(C1=CC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220634	0	34	-1.0	-40.78	321.43	2.95	-37.83
O=S(=O)(C1=CC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220634	1	34	-1.0	-40.82	321.50	2.96	-37.86
O=S(=O)(C1=CC=C(Br)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220635	0	31	-1.0	-37.90	312.35	2.73	-35.17
O=S(=O)(C1=CC=C(Br)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220635	1	31	-1.0	-37.96	312.42	2.74	-35.22
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC	REAL300020220636	0	48	-1.0	-44.80	407.12	0.82	-43.98
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC	REAL300020220636	1	48	-1.0	-44.77	407.19	0.82	-43.95
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020220637	0	45	-1.0	-43.39	389.70	3.89	-39.50
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020220637	1	45	-1.0	-43.38	389.77	3.89	-39.49
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220638	0	40	-1.0	-39.73	348.98	3.34	-36.39
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220638	1	40	-1.0	-39.79	349.05	3.36	-36.43
O=S(=O)(CC1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220639	0	34	-1.0	-46.80	310.89	2.46	-44.34
O=S(=O)(CC1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220639	1	34	-1.0	-46.81	310.96	2.47	-44.34
CCCN1C=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220640	0	37	-1.0	-48.16	323.37	2.47	-45.69
CCCN1C=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220640	1	37	-1.0	-48.16	323.29	2.45	-45.71
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020220641	0	39	-1.0	-44.29	355.18	-1.57	-45.86
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020220641	1	39	-1.0	-44.29	355.25	-1.57	-45.86
O=S(=O)(C1=C(Cl)SC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220642	0	28	-1.0	-36.98	296.87	1.71	-35.27
O=S(=O)(C1=C(Cl)SC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220642	1	28	-1.0	-37.04	296.95	1.73	-35.31
O=S(=O)(C1=CN(C2CCOC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220643	0	39	-1.0	-44.16	335.77	-0.52	-44.68
O=S(=O)(C1=CN(C2CCOC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220643	1	39	-1.0	-44.14	335.70	-0.52	-44.66
O=C(C1CCCC1)N1CCCC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020220644	0	51	-1.0	-47.84	393.12	3.27	-44.57
O=C(C1CCCC1)N1CCCC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020220644	1	51	-1.0	-47.87	393.19	3.28	-44.59
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220645	0	44	-1.0	-41.70	383.04	3.39	-38.31
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220645	1	44	-1.0	-41.71	383.12	3.41	-38.30
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220646	0	39	-1.0	-43.43	350.35	4.03	-39.40
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220646	1	39	-1.0	-43.49	350.42	4.03	-39.46
CC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020220647	0	34	-1.0	-41.76	298.01	2.26	-39.50
CC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020220647	1	34	-1.0	-41.72	298.08	2.27	-39.45
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020220648	0	37	-1.0	-40.07	325.07	-0.67	-40.74
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020220648	1	37	-1.0	-40.07	325.00	-0.69	-40.76
O=S(=O)(C1=CN2CCCCC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220649	0	38	-1.0	-49.90	321.75	1.74	-48.16
O=S(=O)(C1=CN2CCCCC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220649	1	38	-1.0	-49.91	321.82	1.75	-48.16
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220650	0	38	-1.0	-49.62	332.08	0.55	-49.07
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220650	1	38	-1.0	-49.66	332.15	0.57	-49.09
CC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020220651	0	34	-1.0	-43.41	302.17	2.58	-40.83
CC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020220651	1	34	-1.0	-43.39	302.25	2.59	-40.80
COCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220652	0	38	-1.0	-45.20	330.81	1.38	-43.82
COCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220652	1	38	-1.0	-45.24	330.88	1.40	-43.84
O=C(N(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220653	0	42	-1.0	-43.36	334.04	7.55	-35.81
O=C(N(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220653	1	42	-1.0	-43.33	334.12	7.57	-35.76
O=C1COC2=CC=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=C2N1	REAL300020220654	0	37	-1.0	-49.03	318.05	-0.54	-49.57
O=C1COC2=CC=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=C2N1	REAL300020220654	1	37	-1.0	-49.03	318.12	-0.53	-49.56
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020220655	0	44	-1.0	-43.55	374.35	4.32	-39.23
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020220655	1	44	-1.0	-43.56	374.42	4.33	-39.23
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220656	0	40	-1.0	-43.42	359.26	3.29	-40.13
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220656	1	40	-1.0	-43.42	359.34	3.29	-40.13
COCC1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220657	0	38	-1.0	-40.37	324.64	1.85	-38.52
COCC1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220657	1	38	-1.0	-40.38	324.71	1.85	-38.53
O=S(=O)(C1=CC=C2OCCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220658	0	39	-1.0	-41.94	329.67	2.32	-39.62
O=S(=O)(C1=CC=C2OCCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220658	1	39	-1.0	-41.91	329.74	2.33	-39.58
CC1(C)CN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCO1	REAL300020220659	0	40	-1.0	-43.16	321.89	-0.13	-43.29
CC1(C)CN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCO1	REAL300020220659	1	40	-1.0	-43.09	321.96	-0.12	-43.21
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220660	0	35	-1.0	-49.66	335.38	3.16	-46.50
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220660	1	35	-1.0	-49.67	335.45	3.16	-46.51
O=S(=O)(C1=CC=CC=C1CN1C=NC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220661	0	40	-1.0	-48.28	342.36	5.48	-42.80
O=S(=O)(C1=CC=CC=C1CN1C=NC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220661	1	40	-1.0	-48.24	342.29	5.47	-42.77
CCC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(C(=O)OC)O1	REAL300020220662	0	40	-1.0	-44.87	356.04	2.01	-42.86
CCC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(C(=O)OC)O1	REAL300020220662	1	40	-1.0	-44.86	356.11	2.02	-42.84
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220663	0	41	-1.0	-44.51	345.00	2.51	-42.00
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220663	1	41	-1.0	-44.52	345.08	2.52	-42.00
CC1=C(C)SC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220664	0	34	-1.0	-40.64	308.42	2.03	-38.61
CC1=C(C)SC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220664	1	34	-1.0	-40.64	308.49	2.03	-38.61
O=S(=O)(C1=CC=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220665	0	34	-1.0	-42.65	302.01	0.35	-42.30
O=S(=O)(C1=CC=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220665	1	34	-1.0	-42.63	302.09	0.36	-42.27
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NC=CC=C2C=C1	REAL300020220666	0	39	-1.0	-54.39	322.55	3.22	-51.17
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C2C=C1	REAL300020220666	1	39	-1.0	-54.41	322.62	3.22	-51.19
O=S(=O)(C1=CC=CC=C1C1=CC=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220667	0	37	-1.0	-43.46	313.42	3.21	-40.25
O=S(=O)(C1=CC=CC=C1C1=CC=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220667	1	37	-1.0	-43.49	313.35	3.20	-40.29
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020220668	0	44	-1.0	-47.85	362.90	2.68	-45.17
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020220668	1	44	-1.0	-47.85	362.97	2.69	-45.16
O=S(=O)(CCCN1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220669	0	43	-1.0	-41.62	349.97	-1.36	-42.98
O=S(=O)(CCCN1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220669	1	43	-1.0	-41.60	350.04	-1.36	-42.96
O=S(=O)(C1=CC=C(OCC(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220670	0	37	-1.0	-40.02	344.64	-0.21	-40.23
O=S(=O)(C1=CC=C(OCC(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220670	1	37	-1.0	-40.01	344.57	-0.22	-40.23
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220671	0	37	-1.0	-44.55	328.54	3.43	-41.12
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220671	1	37	-1.0	-44.54	328.61	3.43	-41.11
CC1=CC=C(Br)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220672	0	34	-1.0	-42.46	307.11	2.75	-39.71
CC1=CC=C(Br)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220672	1	34	-1.0	-42.43	307.19	2.77	-39.66
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220673	0	34	-1.0	-42.71	304.76	2.67	-40.04
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220673	1	34	-1.0	-42.71	304.83	2.69	-40.02
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220674	0	51	-1.0	-42.33	400.77	2.67	-39.66
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220674	1	51	-1.0	-42.29	400.84	2.67	-39.62
O=S(=O)(CC1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220675	0	34	-1.0	-46.33	311.99	2.51	-43.82
O=S(=O)(CC1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220675	1	34	-1.0	-46.32	312.07	2.51	-43.81
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL300020220676	0	37	-1.0	-44.26	328.46	1.09	-43.17
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL300020220676	1	37	-1.0	-44.29	328.53	1.11	-43.18
O=S(=O)(C1=CN=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220677	0	30	-1.0	-39.52	288.04	0.34	-39.18
O=S(=O)(C1=CN=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220677	1	30	-1.0	-39.55	287.97	0.34	-39.21
O=C(C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F)N1CCCC1	REAL300020220678	0	45	-1.0	-49.89	381.85	2.89	-47.00
O=C(C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F)N1CCCC1	REAL300020220678	1	45	-1.0	-49.90	381.93	2.90	-47.00
O=S(=O)(C1=CN=C2NC=CC(Cl)=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020220679	0	34	-1.0	-53.23	305.33	1.20	-52.03
O=S(=O)(C1=CN=C2NC=CC(Cl)=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020220679	1	34	-1.0	-53.22	305.40	1.22	-52.00
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CCC2(CC1)OCCO2	REAL300020220680	0	42	-1.0	-40.76	339.85	-0.24	-41.00
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CCC2(CC1)OCCO2	REAL300020220680	1	42	-1.0	-40.72	339.93	-0.21	-40.93
O=S(=O)(C1=CN=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220681	0	30	-1.0	-37.98	294.91	0.61	-37.37
O=S(=O)(C1=CN=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220681	1	30	-1.0	-37.99	294.84	0.59	-37.40
CCN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1C	REAL300020220682	0	37	-1.0	-45.30	321.57	1.50	-43.80
CCN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1C	REAL300020220682	1	37	-1.0	-45.26	321.65	1.51	-43.75
CCN(CC1CC1)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220683	0	39	-1.0	-44.56	322.51	2.02	-42.54
CCN(CC1CC1)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220683	1	39	-1.0	-44.66	322.59	2.04	-42.62
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220684	0	33	-1.0	-43.04	315.27	2.07	-40.97
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220684	1	33	-1.0	-43.06	315.34	2.09	-40.97
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220685	0	41	-1.0	-56.99	359.60	-1.81	-58.80
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220685	1	41	-1.0	-56.99	359.67	-1.80	-58.79
COC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1Cl	REAL300020220686	0	34	-1.0	-39.74	317.14	-0.37	-40.11
COC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1Cl	REAL300020220686	1	34	-1.0	-39.77	317.07	-0.38	-40.15
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220687	0	36	-1.0	-45.81	316.98	2.07	-43.74
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220687	1	36	-1.0	-45.85	317.06	2.08	-43.77
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020220688	0	40	-1.0	-43.12	351.90	2.65	-40.47
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020220688	1	40	-1.0	-43.13	351.97	2.66	-40.47
O=S(=O)(C1=CC=C(OCC2CCOC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220689	0	46	-1.0	-45.43	389.71	2.13	-43.30
O=S(=O)(C1=CC=C(OCC2CCOC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220689	1	46	-1.0	-45.40	389.79	2.14	-43.26
CC1(C2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)OCCO1	REAL300020220690	0	43	-1.0	-45.26	363.35	2.02	-43.24
CC1(C2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)OCCO1	REAL300020220690	1	43	-1.0	-45.24	363.42	2.03	-43.21
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220691	0	39	-1.0	-45.38	327.70	3.29	-42.09
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220691	1	39	-1.0	-45.38	327.77	3.30	-42.08
CCC1=NC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220692	0	33	-1.0	-40.68	305.99	0.28	-40.40
CCC1=NC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220692	1	33	-1.0	-40.69	306.06	0.29	-40.40
O=C1C2=CC=CC=C2C(=O)N1CCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220693	0	44	-1.0	-52.41	388.10	2.77	-49.64
O=C1C2=CC=CC=C2C(=O)N1CCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220693	1	44	-1.0	-52.42	388.17	2.78	-49.64
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020220694	0	38	-1.0	-41.84	337.21	-0.60	-42.44
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020220694	1	38	-1.0	-41.88	337.28	-0.58	-42.46
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220695	0	33	-1.0	-47.22	296.85	3.51	-43.71
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220695	1	33	-1.0	-47.22	296.93	3.51	-43.71
O=S(=O)(C1=CC=C(Br)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220696	0	28	-1.0	-42.59	280.58	0.38	-42.21
O=S(=O)(C1=CC=C(Br)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220696	1	28	-1.0	-42.59	280.66	0.39	-42.20
N#CC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020220697	0	41	-1.0	-42.92	331.26	2.56	-40.36
N#CC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020220697	1	41	-1.0	-42.92	331.33	2.56	-40.36
CC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020220698	0	43	-1.0	-40.15	325.73	3.22	-36.93
CC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020220698	1	43	-1.0	-40.18	325.81	3.23	-36.95
O=S(=O)(C1=C(F)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220699	0	31	-1.0	-42.71	292.03	2.49	-40.22
O=S(=O)(C1=C(F)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220699	1	31	-1.0	-42.72	292.10	2.51	-40.21
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=N1	REAL300020220700	0	33	-1.0	-46.34	299.48	0.72	-45.62
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=N1	REAL300020220700	1	33	-1.0	-46.30	299.55	0.72	-45.58
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220701	0	36	-1.0	-41.08	320.77	1.93	-39.15
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220701	1	36	-1.0	-41.08	320.84	1.94	-39.14
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020220702	0	38	-1.0	-43.00	336.90	3.20	-39.80
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NC=CC=C12	REAL300020220702	1	38	-1.0	-42.96	336.83	3.20	-39.76
CSC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020220703	0	35	-1.0	-39.78	331.43	3.13	-36.65
CSC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020220703	1	35	-1.0	-39.81	331.51	3.13	-36.68
O=S(=O)(C1=CC=C(N2C=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220704	0	39	-1.0	-44.71	336.61	4.44	-40.27
O=S(=O)(C1=CC=C(N2C=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220704	1	39	-1.0	-44.72	336.69	4.46	-40.26
O=S(=O)(C1=CC=C(C(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220705	0	33	-1.0	-39.22	311.53	1.03	-38.19
O=S(=O)(C1=CC=C(C(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220705	1	33	-1.0	-39.23	311.46	1.01	-38.22
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020220706	0	33	-1.0	-45.90	311.45	0.00	-45.90
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020220706	1	33	-1.0	-45.91	311.37	-0.00	-45.91
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220707	0	37	-1.0	-43.58	337.40	2.36	-41.22
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220707	1	37	-1.0	-43.59	337.48	2.36	-41.23
O=S(=O)(CC1=NOC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220708	0	36	-1.0	-51.17	322.78	1.73	-49.44
O=S(=O)(CC1=NOC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220708	1	36	-1.0	-51.21	322.85	1.74	-49.47
O=C1CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC3=C2N1CCC3	REAL300020220709	0	43	-1.0	-44.55	360.42	3.13	-41.42
O=C1CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC3=C2N1CCC3	REAL300020220709	1	43	-1.0	-44.57	360.49	3.14	-41.43
COCN1N=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020220710	0	41	-1.0	-45.15	346.18	-0.72	-45.87
COCN1N=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020220710	1	41	-1.0	-45.16	346.25	-0.71	-45.87
O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020220711	0	45	-1.0	-45.83	367.50	1.94	-43.89
O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020220711	1	45	-1.0	-45.85	367.58	1.95	-43.90
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220712	0	46	-1.0	-43.69	368.38	2.70	-40.99
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220712	1	46	-1.0	-43.68	368.46	2.71	-40.97
O=C(C1=CC=CC=C1)N1CCCC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020220713	0	48	-1.0	-51.83	389.28	3.48	-48.35
O=C(C1=CC=CC=C1)N1CCCC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020220713	1	48	-1.0	-51.84	389.36	3.48	-48.36
O=S(=O)(C1=CC=C(OCC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220714	0	38	-1.0	-47.83	340.10	2.20	-45.63
O=S(=O)(C1=CC=C(OCC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220714	1	38	-1.0	-47.77	340.17	2.22	-45.55
COC(=O)C1CCCCC1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220715	0	43	-1.0	-49.94	344.24	3.28	-46.66
COC(=O)C1CCCCC1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220715	1	43	-1.0	-49.91	344.32	3.28	-46.63
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020220716	0	32	-1.0	-42.34	303.44	2.36	-39.98
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020220716	1	32	-1.0	-42.41	303.51	2.36	-40.05
O=C(C1=CC=CC(Cl)=C1)N1CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020220717	0	42	-1.0	-46.63	375.11	2.44	-44.19
O=C(C1=CC=CC(Cl)=C1)N1CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020220717	1	42	-1.0	-46.66	375.18	2.44	-44.22
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1F	REAL300020220718	0	38	-1.0	-41.93	318.15	1.50	-40.43
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1F	REAL300020220718	1	38	-1.0	-41.94	318.23	1.51	-40.43
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020220719	0	39	-1.0	-44.85	330.27	3.43	-41.42
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020220719	1	39	-1.0	-44.84	330.34	3.43	-41.41
O=S(=O)(C1=CC=CC(Cl)=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020220720	0	31	-1.0	-43.47	300.52	2.53	-40.94
O=S(=O)(C1=CC=CC(Cl)=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020220720	1	31	-1.0	-43.50	300.59	2.54	-40.96
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220721	0	41	-1.0	-39.40	354.94	4.24	-35.16
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220721	1	41	-1.0	-39.42	355.01	4.25	-35.17
N#CC1=NC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220722	0	31	-1.0	-51.40	281.97	-0.14	-51.54
N#CC1=NC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220722	1	31	-1.0	-51.36	281.90	-0.16	-51.52
O=S(=O)(C1=C(F)C(F)=CC(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220723	0	31	-1.0	-39.98	297.29	2.05	-37.93
O=S(=O)(C1=C(F)C(F)=CC(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220723	1	31	-1.0	-39.99	297.36	2.06	-37.93
CC(=O)OCCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220724	0	36	-1.0	-45.12	318.31	1.16	-43.96
CC(=O)OCCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220724	1	36	-1.0	-45.13	318.38	1.17	-43.96
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220725	0	41	-1.0	-42.56	333.03	3.22	-39.34
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220725	1	41	-1.0	-42.54	333.11	3.24	-39.30
CN(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220726	0	39	-1.0	-43.41	328.96	2.10	-41.31
CN(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220726	1	39	-1.0	-43.44	329.04	2.10	-41.34
O=S(=O)(CCC1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220727	0	34	-1.0	-46.67	311.15	2.26	-44.41
O=S(=O)(CCC1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220727	1	34	-1.0	-46.67	311.22	2.28	-44.39
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220728	0	43	-1.0	-40.53	360.23	3.74	-36.79
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220728	1	43	-1.0	-40.51	360.31	3.74	-36.77
O=S(=O)(C1=CC=C(Cl)C(F)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220729	0	31	-1.0	-44.23	304.31	2.54	-41.69
O=S(=O)(C1=CC=C(Cl)C(F)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220729	1	31	-1.0	-44.23	304.38	2.55	-41.68
CC1=C(Cl)SC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220730	0	31	-1.0	-37.72	304.96	1.92	-35.80
CC1=C(Cl)SC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220730	1	31	-1.0	-37.71	305.04	1.93	-35.78
CN(C)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220731	0	39	-1.0	-42.43	328.72	2.07	-40.36
CN(C)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220731	1	39	-1.0	-42.41	328.79	2.08	-40.33
O=S(=O)(C1=CC=CC(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220732	0	34	-1.0	-43.10	310.39	2.58	-40.52
O=S(=O)(C1=CC=CC(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220732	1	34	-1.0	-43.06	310.46	2.59	-40.47
O=S(=O)(C1=CC=C(C(F)(F)F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220733	0	34	-1.0	-42.20	316.58	2.60	-39.60
O=S(=O)(C1=CC=C(C(F)(F)F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220733	1	34	-1.0	-42.21	316.65	2.60	-39.61
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220734	0	34	-1.0	-41.36	318.92	2.92	-38.44
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220734	1	34	-1.0	-41.41	318.99	2.92	-38.49
CSC1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220735	0	35	-1.0	-42.89	305.31	2.36	-40.53
CSC1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220735	1	35	-1.0	-42.89	305.38	2.37	-40.52
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220736	0	42	-1.0	-54.74	359.91	1.42	-53.32
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220736	1	42	-1.0	-54.75	359.98	1.43	-53.32
O=S(=O)(NC1CC1)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220737	0	43	-1.0	-45.99	371.89	1.60	-44.39
O=S(=O)(NC1CC1)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220737	1	43	-1.0	-45.99	371.96	1.60	-44.39
O=S(=O)(C1=CN=C(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220738	0	39	-1.0	-43.74	345.77	2.95	-40.79
O=S(=O)(C1=CN=C(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220738	1	39	-1.0	-43.75	345.69	2.95	-40.80
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020220739	0	41	-1.0	-45.22	366.94	1.01	-44.21
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020220739	1	41	-1.0	-45.22	367.01	1.01	-44.21
COC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020220740	0	35	-1.0	-40.77	311.94	1.03	-39.74
COC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020220740	1	35	-1.0	-40.78	312.01	1.03	-39.75
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220741	0	42	-1.0	-44.93	358.08	1.95	-42.98
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220741	1	42	-1.0	-44.92	358.15	1.95	-42.97
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220742	0	40	-1.0	-40.51	321.96	3.27	-37.24
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220742	1	40	-1.0	-40.54	322.03	3.28	-37.26
O=S(=O)(C1=CC(Cl)=CC=C1OCC1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220743	0	45	-1.0	-42.00	384.87	5.03	-36.97
O=S(=O)(C1=CC(Cl)=CC=C1OCC1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220743	1	45	-1.0	-41.97	384.94	5.04	-36.93
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=CS1	REAL300020220744	0	37	-1.0	-46.40	325.93	2.60	-43.80
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=CS1	REAL300020220744	1	37	-1.0	-46.39	326.00	2.62	-43.77
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220745	0	43	0.0	-71.28	354.87	3.57	-67.71
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220745	1	43	0.0	-71.25	354.94	3.59	-67.66
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220746	0	39	-1.0	-50.01	350.89	4.18	-45.83
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220746	1	39	-1.0	-50.02	350.97	4.20	-45.82
CN1N=CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020220747	0	36	-1.0	-45.47	320.64	0.78	-44.69
CN1N=CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020220747	1	36	-1.0	-45.51	320.57	0.78	-44.73
O=S(=O)(C1=CC2=CC=CC=C2OCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220748	0	40	-1.0	-43.37	337.00	3.06	-40.31
O=S(=O)(C1=CC2=CC=CC=C2OCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220748	1	40	-1.0	-43.37	337.07	3.07	-40.30
CCC1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220749	0	37	-1.0	-41.05	308.91	3.55	-37.50
CCC1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220749	1	37	-1.0	-41.02	308.98	3.57	-37.45
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220750	0	39	-1.0	-47.10	342.92	-0.12	-47.22
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220750	1	39	-1.0	-47.12	342.99	-0.11	-47.23
O=S(=O)(C1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220751	0	34	-1.0	-38.07	332.01	3.18	-34.89
O=S(=O)(C1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220751	1	34	-1.0	-38.11	332.08	3.18	-34.93
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220752	0	42	-1.0	-43.61	359.42	0.66	-42.95
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220752	1	42	-1.0	-43.63	359.49	0.67	-42.96
COCN1N=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220753	0	35	-1.0	-41.89	309.46	-2.15	-44.04
COCN1N=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220753	1	35	-1.0	-41.90	309.39	-2.16	-44.06
COC1=C(F)C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020220754	0	37	-1.0	-43.42	339.74	2.47	-40.95
COC1=C(F)C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020220754	1	37	-1.0	-43.40	339.81	2.47	-40.93
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020220755	0	41	-1.0	-45.22	366.94	1.01	-44.21
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020220755	1	41	-1.0	-45.22	367.01	1.01	-44.21
O=S(=O)(C1=CN=C2CCCN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020220756	0	35	-1.0	-43.42	303.95	1.14	-42.28
O=S(=O)(C1=CN=C2CCCN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020220756	1	35	-1.0	-43.41	304.03	1.15	-42.26
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220757	0	32	-1.0	-41.10	303.45	2.37	-38.73
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220757	1	32	-1.0	-41.09	303.53	2.38	-38.71
CC1=NC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020220758	0	33	-1.0	-48.98	305.99	0.07	-48.91
CC1=NC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020220758	1	33	-1.0	-48.99	306.06	0.09	-48.90
O=S(=O)(C1=CN(CC(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220759	0	34	-1.0	-44.58	320.00	0.78	-43.80
O=S(=O)(C1=CN(CC(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220759	1	34	-1.0	-44.62	319.93	0.76	-43.86
COC(=O)CCCCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220760	0	42	-1.0	-52.63	359.45	2.52	-50.11
COC(=O)CCCCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220760	1	42	-1.0	-52.69	359.52	2.53	-50.16
O=S(=O)(CC1=CC=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220761	0	34	-1.0	-42.06	322.64	2.95	-39.11
O=S(=O)(CC1=CC=C(Cl)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220761	1	34	-1.0	-42.05	322.71	2.96	-39.09
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020220762	0	41	-1.0	-43.60	354.68	2.19	-41.41
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020220762	1	41	-1.0	-43.64	354.75	2.19	-41.45
COC1=CC=C(CCS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220763	0	41	-1.0	-45.26	351.27	2.49	-42.77
COC1=CC=C(CCS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220763	1	41	-1.0	-45.26	351.35	2.49	-42.77
O=S(=O)(C1=CN(CC(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220764	0	34	-1.0	-46.67	313.98	0.61	-46.06
O=S(=O)(C1=CN(CC(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220764	1	34	-1.0	-46.69	313.90	0.59	-46.10
O=S(=O)(CCC1=CC=C2OCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220765	0	42	-1.0	-45.85	357.69	3.03	-42.82
O=S(=O)(CCC1=CC=C2OCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220765	1	42	-1.0	-45.89	357.76	3.04	-42.85
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020220766	0	30	-1.0	-39.09	297.38	1.42	-37.67
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020220766	1	30	-1.0	-39.10	297.46	1.42	-37.68
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220767	0	49	0.0	-71.89	392.07	2.89	-69.00
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220767	1	49	0.0	-71.86	392.14	2.91	-68.95
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220768	0	39	-1.0	-47.84	330.45	2.21	-45.63
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220768	1	39	-1.0	-47.84	330.52	2.21	-45.63
CCC1=CC=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220769	0	40	-1.0	-44.94	343.17	3.84	-41.10
CCC1=CC=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220769	1	40	-1.0	-44.94	343.25	3.85	-41.09
O=[N+]([O-])C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220770	0	33	-1.0	-40.44	304.44	2.32	-38.12
O=[N+]([O-])C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220770	1	33	-1.0	-40.42	304.51	2.33	-38.09
COC1=CC(Br)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220771	0	35	-1.0	-40.93	327.00	1.56	-39.37
COC1=CC(Br)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220771	1	35	-1.0	-40.94	327.07	1.57	-39.37
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1C	REAL300020220772	0	41	-1.0	-43.31	359.24	2.69	-40.62
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1C	REAL300020220772	1	41	-1.0	-43.33	359.31	2.70	-40.63
O=S(=O)(C1=CC=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220773	0	31	-1.0	-42.11	299.12	2.22	-39.89
O=S(=O)(C1=CC=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220773	1	31	-1.0	-42.15	299.19	2.22	-39.93
CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020220774	0	45	-1.0	-46.56	373.29	1.12	-45.44
CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020220774	1	45	-1.0	-46.57	373.36	1.13	-45.44
CC1=CC=CC(F)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220775	0	34	-1.0	-45.22	290.58	2.43	-42.79
CC1=CC=CC(F)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220775	1	34	-1.0	-45.26	290.65	2.44	-42.82
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220776	0	34	-1.0	-39.16	305.30	2.77	-36.39
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220776	1	34	-1.0	-39.18	305.37	2.77	-36.41
O=S(=O)(C1=CNC2=CC=CC(F)=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220777	0	35	-1.0	-46.25	306.84	1.50	-44.75
O=S(=O)(C1=CNC2=CC=CC(F)=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220777	1	35	-1.0	-46.27	306.91	1.51	-44.76
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220778	0	44	-1.0	-43.87	365.80	3.14	-40.73
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220778	1	44	-1.0	-43.87	365.87	3.16	-40.71
CC1=CC=NC2=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300020220779	0	39	-1.0	-48.43	329.63	3.18	-45.25
CC1=CC=NC2=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020220779	1	39	-1.0	-48.44	329.70	3.19	-45.25
CC1=CC=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020220780	0	37	-1.0	-41.26	326.76	3.09	-38.17
CC1=CC=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020220780	1	37	-1.0	-41.28	326.84	3.10	-38.18
O=S(=O)(C1=CC=CC2=NSN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220781	0	32	-1.0	-43.83	297.79	0.11	-43.72
O=S(=O)(C1=CC=CC2=NSN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220781	1	32	-1.0	-43.84	297.72	0.10	-43.74
COC1=CN=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220782	0	34	-1.0	-42.37	300.86	-0.88	-43.25
COC1=CN=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220782	1	34	-1.0	-42.36	300.79	-0.88	-43.24
O=S(=O)(C1=CC=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220783	0	31	-1.0	-40.62	298.34	2.22	-38.40
O=S(=O)(C1=CC=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220783	1	31	-1.0	-40.61	298.41	2.24	-38.37
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020220784	0	41	-1.0	-43.59	358.29	2.36	-41.23
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020220784	1	41	-1.0	-43.60	358.36	2.37	-41.23
COCCN(CCC#N)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220785	0	40	-1.0	-44.05	342.78	0.25	-43.80
COCCN(CCC#N)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220785	1	40	-1.0	-44.03	342.85	0.26	-43.77
N#CC1CN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCO1	REAL300020220786	0	35	-1.0	-42.74	306.17	-1.08	-43.82
N#CC1CN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCO1	REAL300020220786	1	35	-1.0	-42.71	306.24	-1.08	-43.79
CCN(CC(C)C#N)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220787	0	39	-1.0	-42.14	324.17	1.88	-40.26
CCN(CC(C)C#N)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220787	1	39	-1.0	-42.19	324.24	1.90	-40.29
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(C3=N[N-]N=N3)C1)OCO2	REAL300020220788	0	37	-1.0	-39.55	309.58	0.80	-38.75
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020220788	1	37	-1.0	-39.57	309.65	0.80	-38.77
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220789	0	37	-1.0	-43.07	321.67	2.87	-40.20
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220789	1	37	-1.0	-43.12	321.74	2.88	-40.24
O=[N+]([O-])C1=CC(Cl)=C(F)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220790	0	33	-1.0	-39.03	322.22	2.76	-36.27
O=[N+]([O-])C1=CC(Cl)=C(F)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220790	1	33	-1.0	-39.03	322.29	2.77	-36.26
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220791	0	29	-1.0	-39.12	288.47	1.25	-37.87
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220791	1	29	-1.0	-39.17	288.54	1.26	-37.91
O=[N+]([O-])C1=CC(F)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020220792	0	33	-1.0	-37.30	318.34	2.67	-34.63
O=[N+]([O-])C1=CC(F)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020220792	1	33	-1.0	-37.36	318.42	2.68	-34.68
CC1=CC=C(CCS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220793	0	40	-1.0	-44.05	343.17	3.86	-40.19
CC1=CC=C(CCS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220793	1	40	-1.0	-44.07	343.25	3.87	-40.20
CN(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220794	0	41	-1.0	-49.44	347.87	1.51	-47.93
CN(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220794	1	41	-1.0	-49.43	347.94	1.53	-47.90
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220795	0	40	-1.0	-48.66	344.01	4.28	-44.38
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220795	1	40	-1.0	-48.67	344.08	4.29	-44.38
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220796	0	39	-1.0	-43.65	338.12	-0.19	-43.84
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220796	1	39	-1.0	-43.69	338.19	-0.18	-43.87
CCCCCCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220797	0	42	-1.0	-46.43	346.99	3.27	-43.16
CCCCCCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220797	1	42	-1.0	-46.45	347.06	3.28	-43.17
O=C1CCC2=CC(Cl)=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020220798	0	37	-1.0	-49.77	330.24	2.99	-46.78
O=C1CCC2=CC(Cl)=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020220798	1	37	-1.0	-49.76	330.31	2.99	-46.77
O=S(=O)(C1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220799	0	31	-1.0	-40.73	299.44	2.47	-38.26
O=S(=O)(C1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220799	1	31	-1.0	-40.73	299.51	2.47	-38.26
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220800	0	37	-1.0	-38.15	307.80	3.30	-34.85
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220800	1	37	-1.0	-38.16	307.88	3.31	-34.85
O=S(=O)(C1=CC(Cl)=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020220801	0	31	-1.0	-39.71	302.42	2.60	-37.11
O=S(=O)(C1=CC(Cl)=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020220801	1	31	-1.0	-39.69	302.49	2.62	-37.07
COC1=CC2=C(C=C1S(=O)(=O)N1CCC(C3=N[N-]N=N3)C1)OCC(=O)N2	REAL300020220802	0	41	-1.0	-45.60	350.31	-1.24	-46.84
COC1=CC2=C(C=C1S(=O)(=O)N1CCC(C3=NN=N[N-]3)C1)OCC(=O)N2	REAL300020220802	1	41	-1.0	-45.61	350.38	-1.24	-46.85
O=S(=O)(CC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220803	0	34	-1.0	-44.47	316.99	2.92	-41.55
O=S(=O)(CC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220803	1	34	-1.0	-44.51	317.07	2.92	-41.59
CC(=O)NC1=NC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220804	0	34	-1.0	-51.37	321.23	-0.84	-52.21
CC(=O)NC1=NC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220804	1	34	-1.0	-51.34	321.16	-0.84	-52.18
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220804	1	33	-2.0	-87.51	317.70	-1.93	-89.44
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220804	1	33	-2.0	-87.49	317.63	-1.94	-89.43
O=S(=O)(CC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220805	0	34	-1.0	-44.43	321.56	3.02	-41.41
O=S(=O)(CC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220805	1	34	-1.0	-44.45	321.63	3.03	-41.42
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220806	0	35	-1.0	-47.72	327.46	-1.07	-48.79
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220806	1	35	-1.0	-47.72	327.53	-1.07	-48.79
COC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220807	0	35	-1.0	-41.69	305.70	0.95	-40.74
COC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220807	1	35	-1.0	-41.68	305.78	0.96	-40.72
N#CCC1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220808	0	35	-1.0	-46.59	311.02	3.04	-43.55
N#CCC1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220808	1	35	-1.0	-46.56	311.09	3.05	-43.51
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020220809	0	42	-1.0	-46.74	368.07	-1.38	-48.12
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020220809	1	42	-1.0	-46.77	368.14	-1.37	-48.14
N#CCC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220810	0	35	-1.0	-46.25	318.47	2.82	-43.43
N#CCC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220810	1	35	-1.0	-46.28	318.55	2.82	-43.46
O=S(=O)(C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)F	REAL300020220811	0	37	-1.0	-46.30	327.63	1.31	-44.99
O=S(=O)(C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)F	REAL300020220811	1	37	-1.0	-46.32	327.70	1.31	-45.01
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020220812	0	36	-1.0	-49.06	332.81	-2.68	-51.74
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020220812	1	36	-1.0	-49.03	332.74	-2.69	-51.72
O=S(=O)(C1CS(=O)(=O)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220813	0	31	-1.0	-46.88	284.79	-3.26	-50.14
O=S(=O)(C1CS(=O)(=O)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220813	1	31	-1.0	-46.85	284.86	-3.25	-50.10
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300020220814	0	45	-1.0	-42.54	365.11	3.54	-39.00
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020220814	1	45	-1.0	-42.56	365.19	3.55	-39.01
COC1=CC=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220815	0	38	-1.0	-40.89	315.38	1.43	-39.46
COC1=CC=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220815	1	38	-1.0	-40.94	315.45	1.45	-39.49
COC(=O)C1=CN=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220816	0	36	-1.0	-44.76	326.24	0.50	-44.26
COC(=O)C1=CN=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220816	1	36	-1.0	-44.68	326.17	0.50	-44.18
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020220817	0	32	-1.0	-42.03	316.71	2.55	-39.48
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020220817	1	32	-1.0	-42.03	316.79	2.55	-39.48
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Cl)C=C1Cl	REAL300020220818	0	33	-1.0	-37.43	324.10	3.03	-34.40
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Cl)C=C1Cl	REAL300020220818	1	33	-1.0	-37.45	324.17	3.04	-34.41
O=S(=O)(C1=C(Cl)C=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220819	0	31	-1.0	-37.77	306.01	3.09	-34.68
O=S(=O)(C1=C(Cl)C=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220819	1	31	-1.0	-37.79	306.08	3.10	-34.69
O=S(=O)(C1=CC=C(Cl)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020220820	0	31	-1.0	-40.28	302.01	2.58	-37.70
O=S(=O)(C1=CC=C(Cl)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020220820	1	31	-1.0	-40.35	302.08	2.59	-37.76
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020220821	0	35	-1.0	-41.58	314.74	1.37	-40.21
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020220821	1	35	-1.0	-41.59	314.81	1.38	-40.21
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220822	0	35	-1.0	-42.65	316.42	2.06	-40.59
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220822	1	35	-1.0	-42.64	316.49	2.06	-40.58
O=S(=O)(C1=CNC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220823	0	32	-1.0	-44.00	303.71	0.44	-43.56
O=S(=O)(C1=CNC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220823	1	32	-1.0	-44.03	303.78	0.45	-43.58
O=S(=O)(CCC1CC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220824	0	44	-1.0	-48.52	364.40	4.97	-43.55
O=S(=O)(CCC1CC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220824	1	44	-1.0	-48.56	364.47	4.98	-43.58
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020220825	0	42	-1.0	-47.99	358.38	2.42	-45.57
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020220825	1	42	-1.0	-47.93	358.46	2.43	-45.50
COC1=CC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020220826	0	38	-1.0	-42.24	329.20	2.02	-40.22
COC1=CC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020220826	1	38	-1.0	-42.21	329.27	2.02	-40.19
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220827	0	37	-1.0	-39.60	353.29	2.55	-37.05
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220827	1	37	-1.0	-39.62	353.36	2.56	-37.06
O=C(N1CCC(C2=N[N-]N=N2)C1)N1CCS(=O)(=O)CC1	REAL300020220828	0	35	-1.0	-48.68	287.18	-0.92	-49.60
O=C(N1CCC(C2=NN=N[N-]2)C1)N1CCS(=O)(=O)CC1	REAL300020220828	1	35	-1.0	-48.70	287.25	-0.90	-49.60
CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220829	0	49	-1.0	-45.16	370.33	3.69	-41.47
CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220829	1	49	-1.0	-45.13	370.40	3.71	-41.42
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020220830	0	37	-1.0	-41.74	335.53	2.34	-39.40
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020220830	1	37	-1.0	-41.73	335.60	2.34	-39.39
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020220831	0	37	-1.0	-43.13	332.53	2.24	-40.89
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020220831	1	37	-1.0	-43.10	332.60	2.24	-40.86
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220832	0	39	-1.0	-46.51	346.32	3.28	-43.23
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220832	1	39	-1.0	-46.50	346.40	3.30	-43.20
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020220833	0	34	-1.0	-40.12	303.21	-1.61	-41.73
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020220833	1	34	-1.0	-40.09	303.14	-1.62	-41.71
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C#N	REAL300020220834	0	35	-1.0	-40.56	316.19	2.54	-38.02
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C#N	REAL300020220834	1	35	-1.0	-40.57	316.27	2.55	-38.02
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220835	0	34	-1.0	-39.46	310.69	2.84	-36.62
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220835	1	34	-1.0	-39.50	310.76	2.84	-36.66
O=S(=O)(C1=CC2=CC=CC=C2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220836	0	36	-1.0	-42.37	317.22	2.06	-40.31
O=S(=O)(C1=CC2=CC=CC=C2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220836	1	36	-1.0	-42.38	317.15	2.05	-40.33
CC1=CC=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020220837	0	37	-1.0	-45.14	326.99	3.12	-42.02
CC1=CC=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020220837	1	37	-1.0	-45.13	327.06	3.12	-42.01
CN(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020220838	0	38	-1.0	-42.43	325.05	1.46	-40.97
CN(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020220838	1	38	-1.0	-42.45	324.98	1.46	-40.99
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020220839	0	38	-1.0	-44.48	337.12	0.67	-43.81
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020220839	1	38	-1.0	-44.50	337.19	0.68	-43.82
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020220840	0	39	-1.0	-42.10	342.11	1.19	-40.91
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020220840	1	39	-1.0	-42.16	342.18	1.21	-40.95
O=S(=O)(C1=CC=C(OC(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220841	0	35	-1.0	-43.63	321.69	1.30	-42.33
O=S(=O)(C1=CC=C(OC(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220841	1	35	-1.0	-43.68	321.76	1.30	-42.38
O=S(=O)(C1=CC=C(C(F)(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220842	0	34	-1.0	-40.58	320.29	2.74	-37.84
O=S(=O)(C1=CC=C(C(F)(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220842	1	34	-1.0	-40.62	320.36	2.75	-37.87
O=C(N1CCC(C2=N[N-]N=N2)C1)N1CCC(CC2=CC=CC=C2)CC1	REAL300020220843	0	48	-1.0	-44.48	365.80	7.14	-37.34
O=C(N1CCC(C2=NN=N[N-]2)C1)N1CCC(CC2=CC=CC=C2)CC1	REAL300020220843	1	48	-1.0	-44.49	365.87	7.15	-37.34
O=S(=O)(C1=CC=C(Cl)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220844	0	31	-1.0	-37.88	312.34	2.73	-35.15
O=S(=O)(C1=CC=C(Cl)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220844	1	31	-1.0	-37.91	312.42	2.74	-35.17
O=S(=O)(C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220845	0	42	-1.0	-45.98	372.85	1.47	-44.51
O=S(=O)(C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220845	1	42	-1.0	-45.94	372.78	1.46	-44.48
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020220846	0	35	-1.0	-43.44	307.30	0.88	-42.56
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020220846	1	35	-1.0	-43.47	307.37	0.89	-42.58
CC1=CC=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020220847	0	39	-1.0	-52.72	328.75	4.55	-48.17
CC1=CC=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020220847	1	39	-1.0	-52.75	328.83	4.56	-48.19
O=S(=O)(C1=CC=C(CC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220848	0	37	-1.0	-43.54	337.52	3.46	-40.08
O=S(=O)(C1=CC=C(CC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220848	1	37	-1.0	-43.53	337.59	3.47	-40.06
CC(C(=O)N(C)C)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220849	0	37	-1.0	-51.21	308.76	-0.46	-51.67
CC(C(=O)N(C)C)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220849	1	37	-1.0	-51.19	308.83	-0.45	-51.64
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220850	0	41	-1.0	-39.40	354.94	4.24	-35.16
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220850	1	41	-1.0	-39.42	355.01	4.25	-35.17
O=S(=O)(C1=CN=C(Cl)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220851	0	30	-1.0	-38.44	293.78	0.38	-38.06
O=S(=O)(C1=CN=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220851	1	30	-1.0	-38.39	293.71	0.36	-38.03
O=S(=O)(C1=CC2=CC=CC=C2OC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220852	0	37	-1.0	-42.95	321.73	2.21	-40.74
O=S(=O)(C1=CC2=CC=CC=C2OC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220852	1	37	-1.0	-42.93	321.81	2.23	-40.70
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220853	0	41	-1.0	-51.50	356.76	0.68	-50.82
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220853	1	41	-1.0	-51.51	356.83	0.69	-50.82
O=S(=O)(CC1CCCC(F)(F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220854	0	40	-1.0	-44.39	330.33	2.93	-41.46
O=S(=O)(CC1CCCC(F)(F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220854	1	40	-1.0	-44.43	330.41	2.94	-41.49
O=S(=O)(C1=C(F)C=CC=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220855	0	35	-1.0	-43.13	323.71	2.57	-40.56
O=S(=O)(C1=C(F)C=CC=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220855	1	35	-1.0	-43.14	323.78	2.58	-40.56
O=S(=O)(C1=CC=C(C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220856	0	34	-1.0	-44.68	309.91	2.58	-42.10
O=S(=O)(C1=CC=C(C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220856	1	34	-1.0	-44.69	309.99	2.60	-42.09
O=S(=O)(C1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220857	0	41	-1.0	-42.28	350.42	5.07	-37.21
O=S(=O)(C1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220857	1	41	-1.0	-42.28	350.49	5.07	-37.21
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220858	0	40	-1.0	-44.24	354.00	3.16	-41.08
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220858	1	40	-1.0	-44.25	354.07	3.17	-41.08
O=S(=O)(CC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020220859	0	34	-1.0	-43.86	317.03	2.96	-40.90
O=S(=O)(CC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020220859	1	34	-1.0	-43.84	317.10	2.97	-40.87
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1C	REAL300020220860	0	43	-1.0	-42.43	378.22	2.87	-39.56
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1C	REAL300020220860	1	43	-1.0	-42.45	378.29	2.88	-39.57
CC(COC1CCCC1)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220861	0	47	-1.0	-40.51	377.10	3.03	-37.48
CC(COC1CCCC1)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220861	1	47	-1.0	-40.51	377.17	3.03	-37.48
CC1=C(CCS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020220862	0	36	-1.0	-47.47	324.89	0.91	-46.56
CC1=C(CCS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020220862	1	36	-1.0	-47.46	324.96	0.93	-46.53
O=S(=O)(CCC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220863	0	37	-1.0	-46.62	337.64	3.68	-42.94
O=S(=O)(CCC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220863	1	37	-1.0	-46.61	337.71	3.69	-42.92
O=S(=O)(CCCOCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220864	0	44	-1.0	-42.63	377.07	3.22	-39.41
O=S(=O)(CCCOCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220864	1	44	-1.0	-42.65	377.14	3.23	-39.42
CCOCC(C)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220865	0	40	-1.0	-40.63	332.16	0.96	-39.67
CCOCC(C)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220865	1	40	-1.0	-40.62	332.23	0.96	-39.66
O=[N+]([O-])C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020220866	0	33	-1.0	-44.54	322.35	3.46	-41.08
O=[N+]([O-])C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020220866	1	33	-1.0	-44.54	322.43	3.46	-41.08
O=S(=O)(CC1CCC(F)(F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220867	0	37	-1.0	-44.68	316.67	2.30	-42.38
O=S(=O)(CC1CCC(F)(F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220867	1	37	-1.0	-44.67	316.74	2.31	-42.36
O=S(=O)(CC1CCCS(=O)(=O)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220868	0	40	-1.0	-56.96	336.81	-1.16	-58.12
O=S(=O)(CC1CCCS(=O)(=O)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220868	1	40	-1.0	-57.01	336.88	-1.14	-58.15
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220869	0	39	-1.0	-43.48	340.18	3.26	-40.22
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220869	1	39	-1.0	-43.43	340.26	3.26	-40.17
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(F)C=C1C	REAL300020220870	0	43	-1.0	-40.59	370.30	3.75	-36.84
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(F)C=C1C	REAL300020220870	1	43	-1.0	-40.63	370.38	3.76	-36.87
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220871	0	45	-1.0	-46.06	387.75	-0.15	-46.21
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220871	1	45	-1.0	-46.07	387.82	-0.15	-46.22
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220872	0	42	-1.0	-44.43	354.76	1.26	-43.17
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220872	1	42	-1.0	-44.41	354.83	1.26	-43.15
O=S(=O)(C1=CC(Cl)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220873	0	31	-1.0	-39.86	294.46	2.14	-37.72
O=S(=O)(C1=CC(Cl)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220873	1	31	-1.0	-39.82	294.53	2.15	-37.67
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2CC1	REAL300020220874	0	48	-1.0	-46.87	388.72	3.63	-43.24
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2CC1	REAL300020220874	1	48	-1.0	-46.88	388.79	3.65	-43.23
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220875	0	40	-1.0	-42.31	347.09	4.19	-38.12
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220875	1	40	-1.0	-42.32	347.16	4.20	-38.12
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220876	0	40	-1.0	-41.90	343.57	3.93	-37.97
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220876	1	40	-1.0	-41.95	343.64	3.93	-38.02
O=S(=O)(C1=CC(Cl)=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220877	0	34	-1.0	-40.27	321.42	3.67	-36.60
O=S(=O)(C1=CC(Cl)=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220877	1	34	-1.0	-40.27	321.49	3.68	-36.59
O=S(=O)(C1=CSC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020220878	0	34	-1.0	-41.43	306.42	2.82	-38.61
O=S(=O)(C1=CSC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020220878	1	34	-1.0	-41.40	306.49	2.83	-38.57
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220879	0	43	-1.0	-45.52	375.04	4.02	-41.50
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220879	1	43	-1.0	-45.53	375.11	4.02	-41.51
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220880	0	44	-1.0	-47.80	376.20	3.12	-44.68
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220880	1	44	-1.0	-47.83	376.28	3.12	-44.71
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020220881	0	43	-1.0	-43.94	368.92	3.76	-40.18
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020220881	1	43	-1.0	-43.93	368.99	3.77	-40.16
CN(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCS(=O)(=O)C1	REAL300020220882	0	38	-1.0	-52.87	305.35	-0.02	-52.89
CN(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020220882	1	38	-1.0	-52.85	305.43	-0.00	-52.85
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020220883	0	42	-1.0	-43.59	345.05	3.14	-40.45
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020220883	1	42	-1.0	-43.60	345.11	3.15	-40.45
N#CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020220884	0	35	-1.0	-43.86	332.88	2.84	-41.02
N#CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020220884	1	35	-1.0	-43.88	332.95	2.84	-41.04
COCCOCCOCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220885	0	45	-1.0	-45.33	384.76	-1.02	-46.35
COCCOCCOCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220885	1	45	-1.0	-45.35	384.84	-1.01	-46.36
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220886	0	41	-1.0	-53.82	360.37	-0.94	-54.76
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220886	1	41	-1.0	-53.80	360.44	-0.94	-54.74
CCOC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220887	0	38	-1.0	-41.53	327.56	1.88	-39.65
CCOC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220887	1	38	-1.0	-41.56	327.63	1.88	-39.68
O=S(=O)(C1=CC=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020220888	0	34	-1.0	-45.15	302.21	0.33	-44.82
O=S(=O)(C1=CC=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020220888	1	34	-1.0	-45.15	302.28	0.35	-44.80
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220889	0	32	-1.0	-42.07	305.11	2.19	-39.88
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220889	1	32	-1.0	-42.09	305.18	2.21	-39.88
N#CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220890	0	32	-1.0	-45.85	308.55	2.38	-43.47
N#CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220890	1	32	-1.0	-45.80	308.62	2.39	-43.41
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220891	0	37	-1.0	-39.24	323.05	3.17	-36.07
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220891	1	37	-1.0	-39.22	323.13	3.18	-36.04
O=S(=O)(C1=C(Cl)C=CC(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220892	0	31	-1.0	-40.29	298.57	2.53	-37.76
O=S(=O)(C1=C(Cl)C=CC(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220892	1	31	-1.0	-40.31	298.64	2.54	-37.77
CC(C)(C)OCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220893	0	40	-1.0	-40.80	329.96	0.53	-40.27
CC(C)(C)OCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220893	1	40	-1.0	-40.85	330.04	0.53	-40.32
CCS(=O)(CC)=NS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220894	0	37	-1.0	-58.97	320.88	-0.72	-59.69
CCS(=O)(CC)=NS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220894	1	37	-1.0	-58.97	320.96	-0.72	-59.69
O=S(=O)(CCC[NH+]1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220895	0	43	0.0	-69.90	345.78	2.65	-67.25
O=S(=O)(CCC[NH+]1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220895	1	43	0.0	-69.91	345.85	2.65	-67.26
C[NH+]1CCN(CCCS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220896	0	48	0.0	-67.95	377.14	0.75	-67.20
C[NH+]1CCN(CCCS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220896	1	48	0.0	-68.04	377.22	0.76	-67.28
O=S(=O)(CCC1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220897	0	43	-1.0	-43.30	342.55	3.36	-39.94
O=S(=O)(CCC1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220897	1	43	-1.0	-43.37	342.63	3.37	-40.00
O=S(=O)(CC1=C(F)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220898	0	34	-1.0	-45.83	319.15	2.88	-42.95
O=S(=O)(CC1=C(F)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220898	1	34	-1.0	-45.88	319.22	2.88	-43.00
CC1=CC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020220899	0	40	-1.0	-43.21	343.50	4.59	-38.62
CC1=CC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020220899	1	40	-1.0	-43.21	343.58	4.59	-38.62
O=S(=O)(C1=C(Cl)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220900	0	28	-1.0	-39.51	282.11	1.21	-38.30
O=S(=O)(C1=C(Cl)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220900	1	28	-1.0	-39.56	282.19	1.21	-38.35
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220901	0	40	-1.0	-39.26	352.37	3.22	-36.04
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220901	1	40	-1.0	-39.31	352.44	3.23	-36.08
O=C(COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)NC1CC1	REAL300020220902	0	46	-1.0	-50.98	397.35	2.21	-48.77
O=C(COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)NC1CC1	REAL300020220902	1	46	-1.0	-50.95	397.42	2.23	-48.72
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220903	0	44	-1.0	-48.66	371.73	2.02	-46.64
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220903	1	44	-1.0	-48.66	371.80	2.03	-46.63
CC(C)(CCl)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220904	0	36	-1.0	-40.66	303.90	2.07	-38.59
CC(C)(CCl)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220904	1	36	-1.0	-40.66	303.97	2.08	-38.58
N#CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220905	0	34	-1.0	-45.05	315.44	2.43	-42.62
N#CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220905	1	34	-1.0	-45.06	315.49	2.43	-42.63
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220906	0	34	-1.0	-40.00	319.06	-0.46	-40.46
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220906	1	34	-1.0	-40.00	318.99	-0.47	-40.47
O=S(=O)(C1=CNN=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220907	0	28	-1.0	-45.10	271.38	-1.61	-46.71
O=S(=O)(C1=CNN=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220907	1	28	-1.0	-45.14	271.45	-1.59	-46.73
O=S(=O)(C1=C2OC=CC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220908	0	34	-1.0	-45.67	301.62	1.96	-43.71
O=S(=O)(C1=C2OC=CC2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220908	1	34	-1.0	-45.69	301.69	1.97	-43.72
O=S(=O)(C1=CC=CC2=C(Cl)C=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020220909	0	36	-1.0	-43.96	326.34	3.07	-40.89
O=S(=O)(C1=CC=CC2=C(Cl)C=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020220909	1	36	-1.0	-43.97	326.27	3.07	-40.90
COC1=CC=C(O)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220910	0	36	-1.0	-43.27	312.03	-1.26	-44.53
COC1=CC=C(O)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220910	1	36	-1.0	-43.26	312.11	-1.26	-44.52
COC1=CC=C([O-])C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220910	1	35	-2.0	-94.00	307.05	-0.43	-94.43
COC1=CC=C([O-])C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220910	1	35	-2.0	-94.00	307.12	-0.43	-94.43
O=S(=O)(C1=CC=C(F)N=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220911	0	30	-1.0	-45.00	280.96	-0.26	-45.26
O=S(=O)(C1=CC=C(F)N=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220911	1	30	-1.0	-45.01	280.89	-0.27	-45.28
COC(=O)C1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220912	0	37	-1.0	-45.20	324.45	1.48	-43.72
COC(=O)C1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220912	1	37	-1.0	-45.21	324.52	1.48	-43.73
CC(C)OC1=CN=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220913	0	40	-1.0	-40.21	340.82	0.71	-39.50
CC(C)OC1=CN=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220913	1	40	-1.0	-40.20	340.75	0.70	-39.50
CC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1(Cl)Cl	REAL300020220914	0	34	-1.0	-43.55	314.65	2.42	-41.13
CC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1(Cl)Cl	REAL300020220914	1	34	-1.0	-43.56	314.72	2.42	-41.14
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220915	0	38	-1.0	-40.71	344.53	2.00	-38.71
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220915	1	38	-1.0	-40.74	344.60	2.01	-38.73
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220916	0	43	-1.0	-47.64	376.96	3.99	-43.65
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220916	1	43	-1.0	-47.61	377.03	4.00	-43.61
O=S(=O)(CC1=CC=C(Br)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220917	0	34	-1.0	-41.92	327.05	3.05	-38.87
O=S(=O)(CC1=CC=C(Br)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220917	1	34	-1.0	-41.93	327.13	3.06	-38.87
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220918	0	40	-1.0	-54.80	360.97	-0.08	-54.88
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220918	1	40	-1.0	-54.80	361.04	-0.08	-54.88
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020220919	0	40	-1.0	-42.17	345.45	0.20	-41.97
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020220919	1	40	-1.0	-42.14	345.38	0.19	-41.95
COC1=CC=C2C=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2=C1	REAL300020220920	0	43	-1.0	-42.93	360.42	3.39	-39.54
COC1=CC=C2C=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2=C1	REAL300020220920	1	43	-1.0	-42.95	360.50	3.39	-39.56
O=S(=O)(C1=CC=C(OC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220921	0	39	-1.0	-44.88	336.27	2.63	-42.25
O=S(=O)(C1=CC=C(OC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220921	1	39	-1.0	-44.91	336.34	2.64	-42.27
O=S(=O)(C1=CC2=CC(F)=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220922	0	34	-1.0	-40.50	312.15	2.16	-38.34
O=S(=O)(C1=CC2=CC(F)=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220922	1	34	-1.0	-40.49	312.22	2.17	-38.32
O=S(=O)(C1=C(Cl)C2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220923	0	34	-1.0	-42.32	327.36	3.71	-38.61
O=S(=O)(C1=C(Cl)C2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220923	1	34	-1.0	-42.33	327.44	3.71	-38.62
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220924	0	36	-1.0	-46.46	319.48	1.67	-44.79
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220924	1	36	-1.0	-46.44	319.41	1.66	-44.78
O=S(=O)(CC1CC(F)(F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220925	0	34	-1.0	-45.55	301.83	1.63	-43.92
O=S(=O)(CC1CC(F)(F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220925	1	34	-1.0	-45.54	301.91	1.64	-43.90
CC1=NSC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220926	0	30	-1.0	-38.80	284.46	-0.01	-38.81
CC1=NSC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220926	1	30	-1.0	-38.80	284.53	0.01	-38.79
CO[C@H]1COC[C@H]1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220927	0	36	-1.0	-42.98	302.64	-1.51	-44.49
CO[C@H]1COC[C@H]1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220927	1	36	-1.0	-42.98	302.71	-1.50	-44.48
O=C(NCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020220928	0	45	-1.0	-44.76	393.53	1.09	-43.67
O=C(NCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020220928	1	45	-1.0	-44.79	393.60	1.09	-43.70
O=S(=O)(CC12CCC(CC1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020220929	0	41	-1.0	-43.74	325.37	3.08	-40.66
O=S(=O)(CC12CCC(CC1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020220929	1	41	-1.0	-43.72	325.44	3.08	-40.64
O=[N+]([O-])C1=CC(F)=C(Cl)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220930	0	33	-1.0	-39.84	319.49	4.09	-35.75
O=[N+]([O-])C1=CC(F)=C(Cl)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220930	1	33	-1.0	-39.90	319.56	4.10	-35.80
O=S(=O)(C1=CSN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220931	0	37	-1.0	-39.32	323.75	2.65	-36.67
O=S(=O)(C1=CSN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220931	1	37	-1.0	-39.31	323.69	2.64	-36.67
O=S(=O)(C1=CC=C(C(F)(F)F)N=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020220932	0	33	-1.0	-44.49	317.67	1.12	-43.37
O=S(=O)(C1=CC=C(C(F)(F)F)N=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020220932	1	33	-1.0	-44.48	317.60	1.12	-43.36
O=S(=O)(N=S1(=O)CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220933	0	35	-1.0	-54.04	306.44	-1.13	-55.17
O=S(=O)(N=S1(=O)CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220933	1	35	-1.0	-54.03	306.51	-1.12	-55.15
O=S(=O)(CC12CCC(CC1)CC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020220934	0	44	-1.0	-46.69	333.04	3.71	-42.98
O=S(=O)(CC12CCC(CC1)CC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020220934	1	44	-1.0	-46.74	333.12	3.71	-43.03
O=S(=O)(C1=CC=C(C2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220935	0	38	-1.0	-40.63	325.23	3.79	-36.84
O=S(=O)(C1=CC=C(C2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220935	1	38	-1.0	-40.64	325.30	3.81	-36.83
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220936	0	40	-1.0	-43.52	369.59	3.73	-39.79
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220936	1	40	-1.0	-43.52	369.66	3.73	-39.79
O=S(=O)(C1=C(F)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220937	0	28	-1.0	-40.48	273.81	0.73	-39.75
O=S(=O)(C1=C(F)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220937	1	28	-1.0	-40.47	273.88	0.73	-39.74
O=S(=O)(CC1=CC=C(C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220938	0	37	-1.0	-45.45	332.48	3.27	-42.18
O=S(=O)(CC1=CC=C(C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220938	1	37	-1.0	-45.43	332.55	3.28	-42.15
CC1=CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2NC1=O	REAL300020220939	0	40	-1.0	-44.63	347.71	1.43	-43.20
CC1=CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2NC1=O	REAL300020220939	1	40	-1.0	-44.63	347.78	1.43	-43.20
O=S(=O)(C1=CC=CN=C1OCC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220940	0	37	-1.0	-49.81	331.83	0.08	-49.73
O=S(=O)(C1=CC=CN=C1OCC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220940	1	37	-1.0	-49.83	331.75	0.07	-49.76
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220941	0	35	-1.0	-50.00	325.05	2.71	-47.29
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220941	1	35	-1.0	-49.98	325.13	2.71	-47.27
CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020220942	0	34	-1.0	-39.12	318.97	0.44	-38.68
CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=N1	REAL300020220942	1	34	-1.0	-39.07	318.90	0.43	-38.64
O=C1CCCC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020220943	0	40	-1.0	-42.42	341.02	3.23	-39.19
O=C1CCCC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020220943	1	40	-1.0	-42.45	341.09	3.24	-39.21
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020220944	0	32	-1.0	-39.58	302.92	2.09	-37.49
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020220944	1	32	-1.0	-39.58	303.00	2.09	-37.49
O=S(=O)(CC1CCCCC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220945	0	40	-1.0	-41.69	329.30	2.81	-38.88
O=S(=O)(CC1CCCCC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220945	1	40	-1.0	-41.70	329.37	2.82	-38.88
COC(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020220946	0	41	-1.0	-43.12	351.33	2.75	-40.37
COC(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020220946	1	41	-1.0	-43.13	351.41	2.77	-40.36
COC(=O)C1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020220947	0	46	-1.0	-42.70	353.79	4.00	-38.70
COC(=O)C1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020220947	1	46	-1.0	-42.71	353.86	4.00	-38.71
O=S(=O)(CCC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020220948	0	37	-1.0	-45.14	339.03	3.65	-41.49
O=S(=O)(CCC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020220948	1	37	-1.0	-45.18	339.10	3.67	-41.51
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(F)C=C1[N+](=O)[O-]	REAL300020220949	0	36	-1.0	-38.40	324.58	2.92	-35.48
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(F)C=C1[N+](=O)[O-]	REAL300020220949	1	36	-1.0	-38.39	324.65	2.93	-35.46
O=S(=O)(CCC1CCOC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220950	0	38	-1.0	-48.12	314.96	0.18	-47.94
O=S(=O)(CCC1CCOC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220950	1	38	-1.0	-48.13	315.03	0.19	-47.94
O=S(=O)(C1=CC=C(Cl)C2=NON=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020220951	0	32	-1.0	-48.16	307.30	1.01	-47.15
O=S(=O)(C1=CC=C(Cl)C2=NON=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020220951	1	32	-1.0	-48.17	307.23	1.01	-47.16
O=S(=O)(C1=CC=CC(OC(F)(F)F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220952	0	35	-1.0	-40.16	323.54	1.42	-38.74
O=S(=O)(C1=CC=CC(OC(F)(F)F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220952	1	35	-1.0	-40.17	323.61	1.43	-38.74
CC1=CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N=C1Cl	REAL300020220953	0	39	-1.0	-41.41	352.76	3.07	-38.34
CC1=CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N=C1Cl	REAL300020220953	1	39	-1.0	-41.42	352.69	3.07	-38.35
O=C(OCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220954	0	34	-1.0	-38.63	310.26	5.23	-33.40
O=C(OCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220954	1	34	-1.0	-38.63	310.33	5.25	-33.38
O=S(=O)(CC1CC2CCC1C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020220955	0	41	-1.0	-39.83	323.31	3.09	-36.74
O=S(=O)(CC1CC2CCC1C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020220955	1	41	-1.0	-39.86	323.38	3.10	-36.76
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(F)C=C1C	REAL300020220956	0	40	-1.0	-40.71	348.44	2.82	-37.89
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(F)C=C1C	REAL300020220956	1	40	-1.0	-40.76	348.51	2.83	-37.93
O=S(=O)(C1=CC=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220957	0	31	-1.0	-40.48	308.77	1.85	-38.63
O=S(=O)(C1=CC=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220957	1	31	-1.0	-40.45	308.85	1.85	-38.60
COC(=O)C1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020220958	0	40	-1.0	-45.15	338.13	2.08	-43.07
COC(=O)C1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020220958	1	40	-1.0	-45.11	338.20	2.10	-43.01
O=C1NC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220959	0	28	-1.0	-41.94	272.81	-2.42	-44.36
O=C1NC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220959	1	28	-1.0	-41.97	272.88	-2.41	-44.38
O=S(=O)(C1=CC=CN=C1OC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220960	0	41	-1.0	-45.25	362.23	2.47	-42.78
O=S(=O)(C1=CC=CN=C1OC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220960	1	41	-1.0	-45.22	362.17	2.47	-42.75
CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220961	0	38	-1.0	-43.77	313.21	1.40	-42.37
CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220961	1	38	-1.0	-43.79	313.29	1.40	-42.39
O=S(=O)(C1=C2N=CSC2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220962	0	33	-1.0	-46.27	304.14	1.34	-44.93
O=S(=O)(C1=C2N=CSC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220962	1	33	-1.0	-46.19	304.07	1.33	-44.86
O=S(=O)(C1=C2OCCCN2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220963	0	36	-1.0	-43.91	313.04	-1.36	-45.27
O=S(=O)(C1=C2OCCCN2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220963	1	36	-1.0	-43.95	312.96	-1.38	-45.33
COC1=NC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220964	0	31	-1.0	-39.62	295.38	-2.81	-42.43
COC1=NC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220964	1	31	-1.0	-39.62	295.31	-2.83	-42.45
O=S(=O)(CCOCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220965	0	41	-1.0	-42.43	355.56	2.44	-39.99
O=S(=O)(CCOCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220965	1	41	-1.0	-42.43	355.64	2.44	-39.99
O=S(=O)(CCC1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220966	0	41	-1.0	-40.81	333.46	0.95	-39.86
O=S(=O)(CCC1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220966	1	41	-1.0	-40.84	333.53	0.96	-39.88
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220967	0	34	-1.0	-42.31	302.58	2.13	-40.18
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220967	1	34	-1.0	-42.32	302.66	2.14	-40.18
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1C	REAL300020220968	0	39	-1.0	-41.35	342.49	1.00	-40.35
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1C	REAL300020220968	1	39	-1.0	-41.37	342.56	1.01	-40.36
O=[N+]([O-])C1=CN=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220969	0	32	-1.0	-42.56	299.66	0.51	-42.05
O=[N+]([O-])C1=CN=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220969	1	32	-1.0	-42.53	299.59	0.50	-42.03
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220970	0	43	-1.0	-49.65	379.40	0.87	-48.78
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220970	1	43	-1.0	-49.67	379.48	0.88	-48.79
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020220971	0	34	-2.0	-83.55	316.59	1.33	-82.22
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020220971	1	34	-2.0	-83.61	316.67	1.35	-82.26
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220971	1	35	-1.0	-40.45	321.27	0.44	-40.01
O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220972	0	40	-1.0	-41.38	334.59	2.96	-38.42
O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220972	1	40	-1.0	-41.37	334.66	2.97	-38.40
CCOC(=O)CC1(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020220973	0	40	-1.0	-51.47	331.42	3.23	-48.24
CCOC(=O)CC1(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020220973	1	40	-1.0	-51.46	331.49	3.23	-48.23
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220974	0	33	-1.0	-39.66	296.27	0.80	-38.86
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220974	1	33	-1.0	-39.70	296.34	0.81	-38.89
CC1=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Br)N1C	REAL300020220975	0	34	-1.0	-47.18	316.60	1.14	-46.04
CC1=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Br)N1C	REAL300020220975	1	34	-1.0	-47.21	316.67	1.16	-46.05
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020220976	0	37	-1.0	-39.58	330.65	3.16	-36.42
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020220976	1	37	-1.0	-39.59	330.72	3.17	-36.42
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220977	0	40	-1.0	-47.40	353.17	3.09	-44.31
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220977	1	40	-1.0	-47.43	353.25	3.09	-44.34
CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220978	0	38	-1.0	-48.08	338.73	-2.58	-50.66
CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220978	1	38	-1.0	-48.09	338.81	-2.57	-50.66
C=CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220979	0	35	-1.0	-44.52	306.83	2.75	-41.77
C=CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220979	1	35	-1.0	-44.53	306.90	2.76	-41.77
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020220980	0	37	-1.0	-51.78	346.75	-0.42	-52.20
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020220980	1	37	-1.0	-51.74	346.83	-0.41	-52.15
CC(C)(C)CCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220981	0	42	-1.0	-40.66	338.01	2.66	-38.00
CC(C)(C)CCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220981	1	42	-1.0	-40.67	338.09	2.67	-38.00
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220982	0	44	-1.0	-45.53	370.16	2.51	-43.02
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220982	1	44	-1.0	-45.56	370.23	2.52	-43.04
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220983	0	38	-1.0	-39.85	348.02	1.87	-37.98
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220983	1	38	-1.0	-39.86	348.10	1.87	-37.99
N#CC1=CN=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220984	0	31	-1.0	-41.78	292.15	0.24	-41.54
N#CC1=CN=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220984	1	31	-1.0	-41.77	292.07	0.24	-41.53
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(=O)OC(C)C	REAL300020220985	0	46	-1.0	-43.08	388.89	4.50	-38.58
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(=O)OC(C)C	REAL300020220985	1	46	-1.0	-43.10	388.97	4.52	-38.58
CC1=CC=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020220986	0	37	-1.0	-45.08	321.69	3.07	-42.01
CC1=CC=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020220986	1	37	-1.0	-45.15	321.76	3.09	-42.06
COC(=O)C(C)(C)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020220987	0	39	-1.0	-42.33	325.20	1.60	-40.73
COC(=O)C(C)(C)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020220987	1	39	-1.0	-42.32	325.27	1.61	-40.71
O=C1C=NC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020220988	0	36	-1.0	-42.28	322.64	-1.13	-43.41
O=C1C=NC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020220988	1	36	-1.0	-42.34	322.71	-1.12	-43.46
O=S(=O)(C1=CNN=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020220989	0	31	-1.0	-47.65	281.00	-1.16	-48.81
O=S(=O)(C1=CNN=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020220989	1	31	-1.0	-47.67	281.07	-1.16	-48.83
O=S(=O)(C1=CN=NN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220990	0	37	-1.0	-44.56	326.85	1.41	-43.15
O=S(=O)(C1=CN=NN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220990	1	37	-1.0	-44.54	326.77	1.40	-43.14
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220991	0	44	-1.0	-42.54	386.07	2.00	-40.54
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220991	1	44	-1.0	-42.55	386.14	2.01	-40.54
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220992	0	47	-1.0	-42.31	407.93	2.93	-39.38
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220992	1	47	-1.0	-42.31	408.01	2.93	-39.38
O=S(=O)(C1=CN=C(Cl)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220993	0	30	-1.0	-38.15	307.34	0.88	-37.27
O=S(=O)(C1=CN=C(Cl)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220993	1	30	-1.0	-38.17	307.27	0.87	-37.30
O=S(=O)(C1=CC=C2ON=C(Cl)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220994	0	33	-1.0	-39.26	315.79	1.59	-37.67
O=S(=O)(C1=CC=C2ON=C(Cl)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220994	1	33	-1.0	-39.26	315.72	1.57	-37.69
COC(=O)C1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020220995	0	43	-1.0	-43.85	347.34	3.41	-40.44
COC(=O)C1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020220995	1	43	-1.0	-43.87	347.41	3.42	-40.45
O=S(=O)(C1=CC=C2SC(Cl)=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220996	0	33	-1.0	-40.01	324.21	1.64	-38.37
O=S(=O)(C1=CC=C2SC(Cl)=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220996	1	33	-1.0	-40.02	324.13	1.62	-38.40
COC1=CC(OC)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020220997	0	39	-1.0	-43.62	345.38	1.44	-42.18
COC1=CC(OC)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020220997	1	39	-1.0	-43.62	345.45	1.46	-42.16
O=S(=O)(C1=CN=C2ON=C(C3CC3)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220998	0	39	-1.0	-44.77	347.12	0.24	-44.53
O=S(=O)(C1=CN=C2ON=C(C3CC3)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220998	1	39	-1.0	-44.81	347.19	0.26	-44.55
O=C1CCOC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020220999	0	38	-1.0	-43.74	332.21	1.41	-42.33
O=C1CCOC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020220999	1	38	-1.0	-43.75	332.28	1.41	-42.34
O=C1NC2=CC(F)=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020221000	0	34	-1.0	-41.93	309.50	-0.92	-42.85
O=C1NC2=CC(F)=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020221000	1	34	-1.0	-41.92	309.57	-0.92	-42.84
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221001	0	44	-1.0	-46.75	373.70	2.75	-44.00
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221001	1	44	-1.0	-46.77	373.78	2.76	-44.01
COC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020221002	0	35	-1.0	-40.27	321.74	1.51	-38.76
COC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020221002	1	35	-1.0	-40.30	321.81	1.52	-38.78
O=S(=O)(C1=CC2=C(Cl)N=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221003	0	36	-1.0	-41.85	331.53	2.56	-39.29
O=S(=O)(C1=CC2=C(Cl)N=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221003	1	36	-1.0	-41.83	331.46	2.55	-39.28
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221004	0	32	-1.0	-44.53	296.55	2.05	-42.48
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221004	1	32	-1.0	-44.55	296.63	2.06	-42.49
O=S(=O)(C1=C(Br)NC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221005	0	28	-1.0	-45.29	276.68	-0.40	-45.69
O=S(=O)(C1=C(Br)NC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221005	1	28	-1.0	-45.33	276.75	-0.40	-45.73
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221006	0	36	-1.0	-44.81	330.41	-3.39	-48.20
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221006	1	36	-1.0	-44.81	330.48	-3.38	-48.19
CC(C)(CCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)S(C)(=O)=O	REAL300020221007	0	42	-1.0	-57.73	348.89	-1.22	-58.95
CC(C)(CCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020221007	1	42	-1.0	-57.77	348.97	-1.21	-58.98
COC(=O)C1=NOC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221008	0	33	-1.0	-42.66	310.35	-0.33	-42.99
COC(=O)C1=NOC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221008	1	33	-1.0	-42.63	310.28	-0.33	-42.96
O=S(=O)(C1=CN=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221009	0	33	-1.0	-39.18	323.50	1.18	-38.00
O=S(=O)(C1=CN=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221009	1	33	-1.0	-39.22	323.43	1.18	-38.04
O=S(=O)(C1=CC=C2CCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221010	0	36	-1.0	-44.36	311.78	1.53	-42.83
O=S(=O)(C1=CC=C2CCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221010	1	36	-1.0	-44.37	311.85	1.54	-42.83
O=S(=O)([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221011	0	38	-1.0	-40.37	326.92	3.78	-36.59
O=S(=O)([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221011	1	38	-1.0	-40.41	326.99	3.78	-36.63
O=S(=O)(C1=C(F)C2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221012	0	37	-1.0	-47.14	322.69	3.84	-43.30
O=S(=O)(C1=C(F)C2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221012	1	37	-1.0	-47.13	322.76	3.84	-43.29
O=S(=O)(C1=CC=CC2=C1OC(F)(F)O2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221013	0	34	-1.0	-42.15	313.21	0.75	-41.40
O=S(=O)(C1=CC=CC2=C1OC(F)(F)O2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221013	1	34	-1.0	-42.14	313.28	0.76	-41.38
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221014	0	37	-1.0	-43.06	345.38	3.24	-39.82
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221014	1	37	-1.0	-43.12	345.45	3.24	-39.88
CCC1=CC(CC)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(CC)=C1	REAL300020221015	0	49	-1.0	-42.76	371.17	5.82	-36.94
CCC1=CC(CC)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(CC)=C1	REAL300020221015	1	49	-1.0	-42.76	371.25	5.83	-36.93
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221016	0	36	-1.0	-41.43	335.92	4.52	-36.91
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221016	1	36	-1.0	-41.47	335.99	4.52	-36.95
CC1=CC=CC(Cl)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221017	0	34	-1.0	-42.99	298.21	2.98	-40.01
CC1=CC=CC(Cl)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221017	1	34	-1.0	-43.03	298.29	2.99	-40.04
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(F)C=C1Br	REAL300020221018	0	34	-1.0	-38.48	317.18	2.80	-35.68
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(F)C=C1Br	REAL300020221018	1	34	-1.0	-38.50	317.26	2.82	-35.68
N#CC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221019	0	32	-1.0	-40.59	297.04	2.04	-38.55
N#CC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221019	1	32	-1.0	-40.58	297.11	2.05	-38.53
O=C1CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CN1C1CC1	REAL300020221020	0	39	-1.0	-46.09	328.77	1.02	-45.07
O=C1CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CN1C1CC1	REAL300020221020	1	39	-1.0	-46.12	328.84	1.02	-45.10
O=S(=O)(C1=CC(F)=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221021	0	35	-1.0	-43.04	315.83	1.88	-41.16
O=S(=O)(C1=CC(F)=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221021	1	35	-1.0	-43.06	315.91	1.88	-41.18
O=S(=O)(C1=CC=CC2=C1OCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221022	0	36	-1.0	-45.10	309.34	1.56	-43.54
O=S(=O)(C1=CC=CC2=C1OCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221022	1	36	-1.0	-45.11	309.41	1.57	-43.54
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020221023	0	40	-1.0	-43.69	358.60	3.13	-40.56
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020221023	1	40	-1.0	-43.67	358.67	3.14	-40.53
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC(C)=C2S1	REAL300020221024	0	40	-1.0	-43.61	342.32	4.56	-39.05
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC(C)=C2S1	REAL300020221024	1	40	-1.0	-43.62	342.39	4.56	-39.06
O=S(=O)(C1=CC(Cl)=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221025	0	35	-1.0	-42.73	326.17	2.33	-40.40
O=S(=O)(C1=CC(Cl)=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221025	1	35	-1.0	-42.76	326.24	2.33	-40.43
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221026	0	44	-1.0	-43.13	365.60	3.06	-40.07
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221026	1	44	-1.0	-43.12	365.67	3.06	-40.06
COC(CC(C)C)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221027	0	43	-1.0	-40.11	347.24	1.19	-38.92
COC(CC(C)C)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221027	1	43	-1.0	-40.13	347.32	1.20	-38.93
O=S(=O)(C1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221028	0	31	-1.0	-42.36	297.04	2.27	-40.09
O=S(=O)(C1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221028	1	31	-1.0	-42.39	297.11	2.29	-40.10
CC1=CC=C(C=CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221029	0	38	-1.0	-42.74	329.77	3.55	-39.19
CC1=CC=C(C=CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221029	1	38	-1.0	-42.75	329.85	3.55	-39.20
O=S(=O)(CCOCC1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221030	0	44	-1.0	-40.64	361.02	2.13	-38.51
O=S(=O)(CCOCC1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221030	1	44	-1.0	-40.68	361.09	2.13	-38.55
O=S(=O)(CCOCC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221031	0	38	-1.0	-42.92	327.56	1.00	-41.92
O=S(=O)(CCOCC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221031	1	38	-1.0	-42.89	327.63	1.00	-41.89
O=S(=O)(CCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221032	0	37	-1.0	-44.07	338.50	3.71	-40.36
O=S(=O)(CCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221032	1	37	-1.0	-44.09	338.57	3.71	-40.38
CC1=CC(F)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020221033	0	34	-1.0	-43.38	305.92	2.65	-40.73
CC1=CC(F)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020221033	1	34	-1.0	-43.39	305.99	2.67	-40.72
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=CC=CC=C1	REAL300020221034	0	45	-1.0	-45.30	384.41	4.71	-40.59
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=CC=CC=C1	REAL300020221034	1	45	-1.0	-45.32	384.48	4.72	-40.60
O=S(=O)(C1=CC(Cl)=CN=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221035	0	30	-1.0	-37.94	294.49	0.64	-37.30
O=S(=O)(C1=CC(Cl)=CN=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221035	1	30	-1.0	-37.93	294.42	0.63	-37.30
CN(C)C1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221036	0	39	-1.0	-41.01	315.65	0.11	-40.90
CN(C)C1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221036	1	39	-1.0	-40.99	315.72	0.12	-40.87
C[NH+](C)C1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221036	1	40	0.0	-54.93	314.74	2.08	-52.85
C[NH+](C)C1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221036	1	40	0.0	-54.95	314.81	2.09	-52.86
CN1N=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020221037	0	31	-1.0	-41.17	293.21	-0.41	-41.58
CN1N=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020221037	1	31	-1.0	-41.13	293.14	-0.42	-41.55
CN1C(=O)SC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020221038	0	37	-1.0	-44.75	336.66	1.69	-43.06
CN1C(=O)SC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020221038	1	37	-1.0	-44.76	336.73	1.71	-43.05
CN1N=NC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020221039	0	36	-1.0	-47.28	319.90	0.17	-47.11
CN1N=NC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020221039	1	36	-1.0	-47.27	319.83	0.15	-47.12
CS(=O)(=NS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020221040	0	38	-1.0	-57.44	338.63	0.40	-57.04
CS(=O)(=NS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020221040	1	38	-1.0	-57.39	338.70	0.41	-56.98
CN1N=NC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020221041	0	36	-1.0	-47.28	319.90	0.17	-47.11
CN1N=NC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020221041	1	36	-1.0	-47.27	319.83	0.15	-47.12
O=S(=O)(CCCC1CCOC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221042	0	41	-1.0	-48.98	336.44	0.94	-48.04
O=S(=O)(CCCC1CCOC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221042	1	41	-1.0	-49.01	336.52	0.96	-48.05
N#CCC1=CC=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221043	0	38	-1.0	-52.17	342.53	3.57	-48.60
N#CCC1=CC=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221043	1	38	-1.0	-52.22	342.60	3.58	-48.64
COC(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020221044	0	38	-1.0	-46.84	318.29	1.23	-45.61
COC(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020221044	1	38	-1.0	-46.83	318.36	1.25	-45.58
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221045	0	35	-1.0	-43.22	306.08	1.61	-41.61
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221045	1	35	-1.0	-43.24	306.15	1.61	-41.63
O=S(=O)(C1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221046	0	34	-1.0	-38.51	315.56	0.79	-37.72
O=S(=O)(C1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221046	1	34	-1.0	-38.50	315.63	0.80	-37.70
O=S(=O)(CCOCC1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221047	0	41	-1.0	-42.74	344.13	1.53	-41.21
O=S(=O)(CCOCC1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221047	1	41	-1.0	-42.74	344.20	1.53	-41.21
CCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020221048	0	39	-1.0	-47.92	338.77	3.49	-44.43
CCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020221048	1	39	-1.0	-47.91	338.84	3.49	-44.42
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221049	0	47	-1.0	-43.64	375.83	3.84	-39.80
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221049	1	47	-1.0	-43.65	375.90	3.85	-39.80
COC(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL300020221050	0	45	-1.0	-41.88	362.96	0.48	-41.40
COC(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL300020221050	1	45	-1.0	-41.86	363.03	0.49	-41.37
COC1=NC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020221051	0	34	-1.0	-40.03	319.54	-1.11	-41.14
COC1=NC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020221051	1	34	-1.0	-40.01	319.47	-1.11	-41.12
O=S(=O)(C1CC1C1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221052	0	38	-1.0	-47.40	325.23	3.93	-43.47
O=S(=O)(C1CC1C1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221052	1	38	-1.0	-47.42	325.30	3.93	-43.49
COC(=O)C1(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020221053	0	37	-1.0	-40.57	311.30	1.58	-38.99
COC(=O)C1(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020221053	1	37	-1.0	-40.52	311.37	1.59	-38.93
CCN1CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020221054	0	38	-1.0	-50.54	319.53	0.22	-50.32
CCN1CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020221054	1	38	-1.0	-50.56	319.60	0.23	-50.33
CCOC(=O)C1(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020221055	0	40	-1.0	-40.48	333.16	2.51	-37.97
CCOC(=O)C1(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020221055	1	40	-1.0	-40.51	333.23	2.51	-38.00
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221056	0	37	-1.0	-41.44	332.12	3.59	-37.85
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221056	1	37	-1.0	-41.46	332.19	3.61	-37.85
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020221057	0	34	-1.0	-39.60	311.68	2.75	-36.85
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020221057	1	34	-1.0	-39.63	311.76	2.75	-36.88
O=C1CCC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020221058	0	37	-1.0	-49.92	324.06	2.67	-47.25
O=C1CCC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020221058	1	37	-1.0	-49.90	324.14	2.69	-47.21
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020221059	0	40	-1.0	-43.82	362.81	3.15	-40.67
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020221059	1	40	-1.0	-43.82	362.74	3.13	-40.69
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020221060	0	37	-1.0	-46.81	348.95	2.78	-44.03
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020221060	1	37	-1.0	-46.80	349.03	2.80	-44.00
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221061	0	40	-1.0	-43.79	352.83	2.86	-40.93
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221061	1	40	-1.0	-43.84	352.91	2.86	-40.98
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221062	0	38	-1.0	-44.02	327.09	1.88	-42.14
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221062	1	38	-1.0	-44.02	327.16	1.90	-42.12
COC1=CC=C(OCCCS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221063	0	45	-1.0	-43.07	381.01	2.03	-41.04
COC1=CC=C(OCCCS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221063	1	45	-1.0	-43.05	381.08	2.04	-41.01
COC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020221064	0	44	-1.0	-41.17	339.64	1.88	-39.29
COC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020221064	1	44	-1.0	-41.15	339.72	1.88	-39.27
CC(C)(C)OC(=O)C1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221065	0	51	-1.0	-47.07	403.82	3.52	-43.55
CC(C)(C)OC(=O)C1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221065	1	51	-1.0	-47.01	403.89	3.52	-43.49
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])S1	REAL300020221066	0	33	-1.0	-43.00	313.21	3.00	-40.00
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])S1	REAL300020221066	1	33	-1.0	-42.98	313.28	3.00	-39.98
CN(C)S(C)(=O)=NS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221067	0	36	-1.0	-53.20	318.13	-2.36	-55.56
CN(C)S(C)(=O)=NS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221067	1	36	-1.0	-53.20	318.20	-2.36	-55.56
O=S(=O)(C1=CN=C(Cl)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221068	0	33	-1.0	-38.80	317.47	1.76	-37.04
O=S(=O)(C1=CN=C(Cl)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221068	1	33	-1.0	-38.79	317.39	1.76	-37.03
CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221069	0	45	-1.0	-46.56	373.29	1.12	-45.44
CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221069	1	45	-1.0	-46.57	373.36	1.13	-45.44
O=S(=O)(C1=CC2=NC(Cl)=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221070	0	33	-1.0	-41.61	326.85	1.65	-39.96
O=S(=O)(C1=CC2=NC(Cl)=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221070	1	33	-1.0	-41.61	326.78	1.64	-39.97
CN1CCC2=C(C=CC=C2S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221071	0	43	-1.0	-41.78	341.17	1.41	-40.37
CN1CCC2=C(C=CC=C2S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221071	1	43	-1.0	-41.81	341.24	1.42	-40.39
N#CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020221072	0	29	-1.0	-47.84	280.33	0.83	-47.01
N#CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020221072	1	29	-1.0	-47.81	280.40	0.84	-46.97
O=S(=O)(CC1CCC(F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221073	0	40	-1.0	-44.44	325.57	2.89	-41.55
O=S(=O)(CC1CCC(F)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221073	1	40	-1.0	-44.49	325.64	2.90	-41.59
COCC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020221074	0	41	-1.0	-40.03	334.56	1.11	-38.92
COCC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020221074	1	41	-1.0	-40.05	334.63	1.12	-38.93
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221075	0	38	-1.0	-44.33	344.23	3.88	-40.45
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221075	1	38	-1.0	-44.33	344.30	3.88	-40.45
O=C1NC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2S1	REAL300020221076	0	34	-1.0	-40.73	318.21	-0.15	-40.88
O=C1NC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2S1	REAL300020221076	1	34	-1.0	-40.76	318.28	-0.14	-40.90
CC(C)OC(=O)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221077	0	36	-1.0	-43.45	316.03	1.01	-42.44
CC(C)OC(=O)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221077	1	36	-1.0	-43.46	316.10	1.01	-42.45
O=S(=O)(C1=C2N=CC(Br)=CN2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221078	0	33	-1.0	-43.99	321.79	1.14	-42.85
O=S(=O)(C1=C2N=CC(Br)=CN2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221078	1	33	-1.0	-43.99	321.72	1.12	-42.87
CCCC(C(=O)OCC)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221079	0	42	-1.0	-46.48	348.69	3.08	-43.40
CCCC(C(=O)OCC)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221079	1	42	-1.0	-46.50	348.77	3.08	-43.42
O=S(=O)(CCC1CC1(Cl)Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221080	0	34	-1.0	-44.52	324.96	2.72	-41.80
O=S(=O)(CCC1CC1(Cl)Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221080	1	34	-1.0	-44.56	325.04	2.74	-41.82
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020221081	0	32	-1.0	-41.34	301.29	0.38	-40.96
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020221081	1	32	-1.0	-41.34	301.22	0.38	-40.96
CC(C)(C)NC1=CC(F)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N	REAL300020221082	0	47	-1.0	-42.76	375.71	0.31	-42.45
CC(C)(C)NC1=CC(F)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N	REAL300020221082	1	47	-1.0	-42.79	375.78	0.32	-42.47
O=[N+]([O-])C1=CC=C(C2=NOC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020221083	0	39	-1.0	-46.22	361.41	3.34	-42.88
O=[N+]([O-])C1=CC=C(C2=NOC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020221083	1	39	-1.0	-46.21	361.33	3.33	-42.88
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CCCOCC1	REAL300020221084	0	37	-1.0	-41.48	301.58	-0.80	-42.28
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CCCOCC1	REAL300020221084	1	37	-1.0	-41.45	301.65	-0.79	-42.24
COC(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020221085	0	40	-1.0	-39.99	327.64	0.47	-39.52
COC(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020221085	1	40	-1.0	-40.00	327.71	0.47	-39.53
O=S(=O)(CC1=C(Cl)SC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221086	0	31	-1.0	-45.68	321.86	2.50	-43.18
O=S(=O)(CC1=C(Cl)SC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221086	1	31	-1.0	-45.65	321.93	2.51	-43.14
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)SC(Br)=C1	REAL300020221087	0	31	-1.0	-39.63	308.61	2.09	-37.54
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)SC(Br)=C1	REAL300020221087	1	31	-1.0	-39.67	308.69	2.09	-37.58
O=S(=O)(C1=CC=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221088	0	31	-1.0	-38.14	298.81	2.22	-35.92
O=S(=O)(C1=CC=C(Cl)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221088	1	31	-1.0	-38.15	298.88	2.23	-35.92
O=S(=O)(C1=CC=CC2=C1OCCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221089	0	40	-1.0	-46.86	333.47	2.04	-44.82
O=S(=O)(C1=CC=CC2=C1OCCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221089	1	40	-1.0	-46.84	333.54	2.04	-44.80
O=S(=O)(CC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221090	0	34	-1.0	-44.39	317.01	2.92	-41.47
O=S(=O)(CC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221090	1	34	-1.0	-44.42	317.09	2.93	-41.49
COC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020221091	0	42	-1.0	-42.14	331.63	-0.50	-42.64
COC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020221091	1	42	-1.0	-42.12	331.71	-0.48	-42.60
O=S(=O)(C1=CC=C2CS(=O)(=O)CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221092	0	38	-1.0	-49.35	341.06	-0.44	-49.79
O=S(=O)(C1=CC=C2CS(=O)(=O)CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221092	1	38	-1.0	-49.34	341.14	-0.43	-49.77
O=S(=O)(C1=CC=CC2=C1OCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221093	0	39	-1.0	-43.63	322.95	2.94	-40.69
O=S(=O)(C1=CC=CC2=C1OCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221093	1	39	-1.0	-43.67	323.03	2.95	-40.72
O=S(=O)(CCCC1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221094	0	44	-1.0	-41.52	354.96	1.72	-39.80
O=S(=O)(CCCC1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221094	1	44	-1.0	-41.51	355.03	1.72	-39.79
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221095	0	41	-1.0	-48.94	344.73	0.47	-48.47
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221095	1	41	-1.0	-49.02	344.80	0.47	-48.55
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020221096	0	40	-1.0	-42.96	354.39	3.16	-39.80
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020221096	1	40	-1.0	-42.98	354.46	3.17	-39.81
COC1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221097	0	40	-1.0	-44.21	326.69	-0.13	-44.34
COC1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221097	1	40	-1.0	-44.14	326.76	-0.13	-44.27
O=S(=O)(CCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221098	0	37	-1.0	-44.67	328.18	3.25	-41.42
O=S(=O)(CCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221098	1	37	-1.0	-44.67	328.25	3.26	-41.41
O=S(=O)(CCC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221099	0	37	-1.0	-46.30	327.23	3.21	-43.09
O=S(=O)(CCC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221099	1	37	-1.0	-46.31	327.31	3.22	-43.09
O=S(=O)(CCC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221100	0	37	-1.0	-45.31	335.54	3.59	-41.72
O=S(=O)(CCC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221100	1	37	-1.0	-45.34	335.61	3.61	-41.73
COC(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCOC1	REAL300020221101	0	42	-1.0	-48.96	339.68	-0.55	-49.51
COC(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCOC1	REAL300020221101	1	42	-1.0	-48.95	339.75	-0.53	-49.48
O=S(=O)(CC1=CC(F)=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020221102	0	34	-1.0	-41.39	322.89	3.07	-38.32
O=S(=O)(CC1=CC(F)=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020221102	1	34	-1.0	-41.40	322.97	3.08	-38.32
COC1=CC2=C(C=C1S(=O)(=O)N1CCC(C3=N[N-]N=N3)C1)C(=O)NCCC2	REAL300020221103	0	46	-1.0	-45.41	376.04	0.60	-44.81
COC1=CC2=C(C=C1S(=O)(=O)N1CCC(C3=NN=N[N-]3)C1)C(=O)NCCC2	REAL300020221103	1	46	-1.0	-45.43	376.11	0.60	-44.83
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C1	REAL300020221104	0	42	-1.0	-46.75	366.54	2.13	-44.62
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C1	REAL300020221104	1	42	-1.0	-46.76	366.61	2.13	-44.63
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=CC=C(C#N)C=C12	REAL300020221105	0	38	-1.0	-42.35	353.25	4.17	-38.18
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=CC=C(C#N)C=C12	REAL300020221105	1	38	-1.0	-42.37	353.32	4.17	-38.20
O=S(=O)(CCC1=NOC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221106	0	39	-1.0	-49.66	345.12	2.53	-47.13
O=S(=O)(CCC1=NOC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221106	1	39	-1.0	-49.68	345.19	2.54	-47.14
CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221107	0	48	-1.0	-49.69	395.70	1.77	-47.92
CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221107	1	48	-1.0	-49.72	395.77	1.78	-47.94
CC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1(F)F	REAL300020221108	0	34	-1.0	-44.98	297.01	1.58	-43.40
CC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1(F)F	REAL300020221108	1	34	-1.0	-44.97	297.08	1.59	-43.38
CC1(C)C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1(F)F	REAL300020221109	0	37	-1.0	-46.44	320.96	2.17	-44.27
CC1(C)C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1(F)F	REAL300020221109	1	37	-1.0	-46.44	321.03	2.17	-44.27
O=S(=O)(CC1COC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221110	0	40	-1.0	-45.59	342.46	2.07	-43.52
O=S(=O)(CC1COC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221110	1	40	-1.0	-45.60	342.53	2.09	-43.51
O=[N+]([O-])C1=CC=CN=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221111	0	32	-1.0	-49.04	295.93	1.34	-47.70
O=[N+]([O-])C1=CC=CN=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221111	1	32	-1.0	-49.03	295.86	1.33	-47.70
CN1CCOC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221112	0	40	-1.0	-42.56	329.55	-1.67	-44.23
CN1CCOC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221112	1	40	-1.0	-42.53	329.62	-1.66	-44.19
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221113	0	46	-1.0	-47.46	385.60	3.99	-43.47
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221113	1	46	-1.0	-47.47	385.67	4.01	-43.46
CCC1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221114	0	42	-1.0	-43.80	332.80	2.14	-41.66
CCC1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221114	1	42	-1.0	-43.72	332.87	2.14	-41.58
O=S(=O)(CC1=CC(F)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221115	0	34	-1.0	-41.75	319.68	2.94	-38.81
O=S(=O)(CC1=CC(F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221115	1	34	-1.0	-41.75	319.76	2.95	-38.80
O=S(=O)(C1=CC(Cl)=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221116	0	31	-1.0	-37.97	314.00	2.82	-35.15
O=S(=O)(C1=CC(Cl)=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221116	1	31	-1.0	-37.96	314.07	2.84	-35.12
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221117	0	38	-1.0	-52.14	332.14	-0.93	-53.07
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221117	1	38	-1.0	-52.13	332.21	-0.92	-53.05
O=S(=O)(C1=CC=C(Br)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221118	0	31	-1.0	-38.08	303.23	2.32	-35.76
O=S(=O)(C1=CC=C(Br)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221118	1	31	-1.0	-38.08	303.30	2.32	-35.76
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020221119	0	37	-1.0	-41.74	335.53	2.34	-39.40
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020221119	1	37	-1.0	-41.73	335.60	2.34	-39.39
O=S(=O)(CCC1CCCCO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221120	0	41	-1.0	-44.83	336.36	1.32	-43.51
O=S(=O)(CCC1CCCCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221120	1	41	-1.0	-44.87	336.44	1.32	-43.55
CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC1=O	REAL300020221121	0	34	-1.0	-45.21	301.64	-1.69	-46.90
CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC1=O	REAL300020221121	1	34	-1.0	-45.27	301.72	-1.69	-46.96
O=S(=O)(CCC1CCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221122	0	44	-1.0	-44.48	362.39	4.85	-39.63
O=S(=O)(CCC1CCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221122	1	44	-1.0	-44.49	362.46	4.86	-39.63
CC(C)OC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCOC1	REAL300020221123	0	45	-1.0	-49.46	355.33	0.40	-49.06
CC(C)OC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCOC1	REAL300020221123	1	45	-1.0	-49.46	355.40	0.40	-49.06
COC1=NSC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221124	0	34	-1.0	-48.48	316.74	-1.71	-50.19
COC1=NSC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221124	1	34	-1.0	-48.47	316.82	-1.70	-50.17
O=S(=O)(CC1CCC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221125	0	34	-1.0	-42.34	300.64	1.61	-40.73
O=S(=O)(CC1CCC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221125	1	34	-1.0	-42.32	300.71	1.61	-40.71
O=S(=O)(C1=NC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020221126	0	30	-1.0	-43.98	288.78	0.46	-43.52
O=S(=O)(C1=NC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020221126	1	30	-1.0	-43.97	288.71	0.46	-43.51
O=C1CCC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC3=C2N1CC3	REAL300020221127	0	43	-1.0	-43.74	360.42	3.09	-40.65
O=C1CCC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC3=C2N1CC3	REAL300020221127	1	43	-1.0	-43.75	360.49	3.09	-40.66
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020221128	0	43	-1.0	-41.80	361.56	1.25	-40.55
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020221128	1	43	-1.0	-41.78	361.49	1.24	-40.54
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)N(C)N=C1	REAL300020221129	0	37	-1.0	-46.22	323.24	0.67	-45.55
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)N(C)N=C1	REAL300020221129	1	37	-1.0	-46.26	323.17	0.67	-45.59
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020221130	0	42	-1.0	-43.07	360.91	0.74	-42.33
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020221130	1	42	-1.0	-43.10	360.98	0.75	-42.35
O=S(=O)(CC1(C(F)F)CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221131	0	40	-1.0	-40.71	324.52	2.91	-37.80
O=S(=O)(CC1(C(F)F)CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221131	1	40	-1.0	-40.69	324.59	2.93	-37.76
O=S(=O)(C1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020221132	0	31	-1.0	-43.05	285.25	2.06	-40.99
O=S(=O)(C1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020221132	1	31	-1.0	-43.06	285.32	2.07	-40.99
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221133	0	36	-1.0	-40.39	324.38	3.21	-37.18
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221133	1	36	-1.0	-40.40	324.45	3.22	-37.18
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020221134	0	39	-1.0	-42.20	358.09	0.55	-41.65
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020221134	1	39	-1.0	-42.17	358.17	0.55	-41.62
CC1(C)CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CO1	REAL300020221135	0	38	-1.0	-43.40	314.32	0.27	-43.13
CC1(C)CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CO1	REAL300020221135	1	38	-1.0	-43.40	314.39	0.27	-43.13
O=S(=O)(C1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221136	0	31	-1.0	-39.09	297.50	2.28	-36.81
O=S(=O)(C1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221136	1	31	-1.0	-39.10	297.57	2.28	-36.82
CCOC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020221137	0	45	-1.0	-41.13	353.84	0.42	-40.71
CCOC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020221137	1	45	-1.0	-41.09	353.91	0.42	-40.67
CC(CC(F)(F)F)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221138	0	36	-1.0	-40.95	311.55	1.88	-39.07
CC(CC(F)(F)F)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221138	1	36	-1.0	-40.97	311.62	1.88	-39.09
COC(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020221139	0	41	-1.0	-44.06	354.18	2.27	-41.79
COC(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020221139	1	41	-1.0	-44.08	354.25	2.27	-41.81
CCOC(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020221140	0	41	-1.0	-48.06	339.76	1.99	-46.07
CCOC(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020221140	1	41	-1.0	-48.07	339.83	2.00	-46.07
O=[N+]([O-])C1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC2=NC=CC=C21	REAL300020221141	0	38	-1.0	-45.73	343.87	3.56	-42.17
O=[N+]([O-])C1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC2=NC=CC=C21	REAL300020221141	1	38	-1.0	-45.79	343.80	3.56	-42.23
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300020221142	0	43	-1.0	-42.02	361.03	4.20	-37.82
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020221142	1	43	-1.0	-42.02	361.11	4.20	-37.82
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020221143	0	37	-1.0	-46.77	338.63	2.34	-44.43
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020221143	1	37	-1.0	-46.77	338.70	2.36	-44.41
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=C(Cl)C=C21	REAL300020221144	0	42	-1.0	-50.13	362.05	3.00	-47.13
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=C(Cl)C=C21	REAL300020221144	1	42	-1.0	-50.13	362.13	3.01	-47.12
CS(=O)(=O)N1CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221145	0	39	-1.0	-54.09	348.18	-2.55	-56.64
CS(=O)(=O)N1CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221145	1	39	-1.0	-54.13	348.26	-2.53	-56.66
CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221146	0	42	-1.0	-41.13	334.83	2.92	-38.21
CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221146	1	42	-1.0	-41.12	334.90	2.94	-38.18
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221147	0	44	-1.0	-40.87	366.25	3.32	-37.55
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221147	1	44	-1.0	-40.88	366.32	3.33	-37.55
COC(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300020221148	0	44	-1.0	-41.34	348.76	2.08	-39.26
COC(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020221148	1	44	-1.0	-41.33	348.83	2.10	-39.23
COC(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020221149	0	47	-1.0	-41.62	371.36	2.92	-38.70
COC(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020221149	1	47	-1.0	-41.55	371.43	2.94	-38.61
O=S(=O)(C1=CC=NN1CCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221150	0	44	-1.0	-40.36	378.81	3.93	-36.43
O=S(=O)(C1=CC=NN1CCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221150	1	44	-1.0	-40.36	378.74	3.93	-36.43
CC1=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C2=CC=CC=C2)S1	REAL300020221151	0	40	-1.0	-45.30	359.18	3.09	-42.21
CC1=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C2=CC=CC=C2)S1	REAL300020221151	1	40	-1.0	-45.29	359.26	3.11	-42.18
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020221152	0	36	-1.0	-44.27	323.52	4.23	-40.04
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020221152	1	36	-1.0	-44.27	323.59	4.24	-40.03
COCC(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)OC	REAL300020221153	0	38	-1.0	-41.02	324.82	-1.37	-42.39
COCC(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)OC	REAL300020221153	1	38	-1.0	-40.96	324.89	-1.37	-42.33
CCC1=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1CC1CC1	REAL300020221154	0	44	-1.0	-45.11	374.67	3.66	-41.45
CCC1=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1CC1CC1	REAL300020221154	1	44	-1.0	-45.14	374.75	3.67	-41.47
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020221155	0	37	-1.0	-40.35	333.41	1.07	-39.28
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020221155	1	37	-1.0	-40.33	333.49	1.08	-39.25
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1	REAL300020221156	0	42	-1.0	-49.67	360.96	2.25	-47.42
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1	REAL300020221156	1	42	-1.0	-49.67	361.03	2.27	-47.40
O=S(=O)(C1=CN=C(C2CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221157	0	34	-1.0	-40.93	315.72	1.20	-39.73
O=S(=O)(C1=CN=C(C2CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221157	1	34	-1.0	-40.93	315.79	1.21	-39.72
CCCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(C)C	REAL300020221158	0	50	-1.0	-40.75	407.67	4.70	-36.05
CCCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(C)C	REAL300020221158	1	50	-1.0	-40.73	407.75	4.71	-36.02
NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020221159	0	33	-1.0	-45.98	292.86	-0.54	-46.52
NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020221159	1	33	-1.0	-46.00	292.93	-0.54	-46.54
CC1=CC=C(N)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221160	0	36	-1.0	-40.87	298.70	0.02	-40.85
CC1=CC=C(N)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221160	1	36	-1.0	-40.89	298.77	0.03	-40.86
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221161	0	35	-1.0	-40.03	306.41	1.59	-38.44
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221161	1	35	-1.0	-40.03	306.48	1.59	-38.44
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1[N+](=O)[O-]	REAL300020221162	0	39	-1.0	-42.03	332.14	3.74	-38.29
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1[N+](=O)[O-]	REAL300020221162	1	39	-1.0	-42.04	332.21	3.74	-38.30
O=S(=O)(C1=CC(F)=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221163	0	31	-1.0	-38.33	288.79	1.82	-36.51
O=S(=O)(C1=CC(F)=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221163	1	31	-1.0	-38.36	288.86	1.84	-36.52
CC(C)(C)OC(=O)N1CC(OC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221164	0	45	-1.0	-42.07	367.15	3.23	-38.84
CC(C)(C)OC(=O)N1CC(OC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221164	1	45	-1.0	-42.10	367.22	3.24	-38.86
O=S(=O)(C1=CN=C2NC=C(Br)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221165	0	34	-1.0	-47.91	325.44	1.51	-46.40
O=S(=O)(C1=CN=C2NC=C(Br)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221165	1	34	-1.0	-47.92	325.51	1.53	-46.39
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221166	0	38	-1.0	-40.11	322.63	1.59	-38.52
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221166	1	38	-1.0	-40.11	322.55	1.58	-38.53
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221167	0	34	-1.0	-39.94	316.42	0.35	-39.59
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221167	1	34	-1.0	-39.94	316.35	0.33	-39.61
O=S(=O)(C1=CC=CC(SC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221168	0	42	-1.0	-42.50	376.57	5.79	-36.71
O=S(=O)(C1=CC=CC(SC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221168	1	42	-1.0	-42.53	376.64	5.80	-36.73
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221169	0	34	-1.0	-39.64	310.68	2.83	-36.81
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221169	1	34	-1.0	-39.66	310.75	2.83	-36.83
O=S(=O)(CC=C(Cl)Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221170	0	28	-1.0	-38.44	283.48	1.02	-37.42
O=S(=O)(CC=C(Cl)Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221170	1	28	-1.0	-38.49	283.55	1.02	-37.47
O=S(=O)(C1=CC=C(Cl)N=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221171	0	30	-1.0	-44.57	291.43	0.23	-44.34
O=S(=O)(C1=CC=C(Cl)N=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221171	1	30	-1.0	-44.58	291.36	0.22	-44.36
COCC(COC)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221172	0	38	-1.0	-43.28	319.46	-0.98	-44.26
COCC(COC)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221172	1	38	-1.0	-43.29	319.54	-0.97	-44.26
O=S(=O)(CC1=C(Br)SC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221173	0	30	-1.0	-47.63	303.92	0.03	-47.60
O=S(=O)(CC1=C(Br)SC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221173	1	30	-1.0	-47.66	303.99	0.05	-47.61
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221174	0	42	-1.0	-57.41	361.02	-1.71	-59.12
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221174	1	42	-1.0	-57.44	361.09	-1.69	-59.13
CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221175	0	48	-1.0	-44.54	387.70	3.16	-41.38
CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221175	1	48	-1.0	-44.53	387.78	3.16	-41.37
O=S(=O)(C1=CC2=NC(Cl)=NC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221176	0	32	-1.0	-39.77	321.44	0.77	-39.00
O=S(=O)(C1=CC2=NC(Cl)=NC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221176	1	32	-1.0	-39.81	321.37	0.77	-39.04
CC1=CC2=NNC=C2C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221177	0	37	-1.0	-43.77	318.23	1.33	-42.44
CC1=CC2=NNC=C2C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221177	1	37	-1.0	-43.81	318.30	1.34	-42.47
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C2C=NNC2=C1	REAL300020221177	1	37	-1.0	-42.35	317.91	1.18	-41.17
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C2C=NNC2=C1	REAL300020221177	1	37	-1.0	-42.35	317.98	1.18	-41.17
O=S(=O)(C1=CC=C2CCC3=C2C1=CC=C3)N1CCC(C2=N[N-]N=N2)C1	REAL300020221178	0	41	-1.0	-46.30	335.85	4.83	-41.47
O=S(=O)(C1=CC=C2CCC3=C2C1=CC=C3)N1CCC(C2=NN=N[N-]2)C1	REAL300020221178	1	41	-1.0	-46.29	335.93	4.84	-41.45
CC1=CC=C(Br)C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221179	0	37	-1.0	-43.67	338.47	3.64	-40.03
CC1=CC=C(Br)C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221179	1	37	-1.0	-43.68	338.55	3.64	-40.04
O=S(=O)(CCC1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221180	0	37	-1.0	-42.96	332.16	3.22	-39.74
O=S(=O)(CCC1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221180	1	37	-1.0	-42.99	332.24	3.22	-39.77
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1F	REAL300020221181	0	34	-1.0	-41.24	304.29	2.32	-38.92
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1F	REAL300020221181	1	34	-1.0	-41.25	304.36	2.33	-38.92
O=S(=O)(C1=CC=C(Br)N=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221182	0	30	-1.0	-44.45	296.02	0.30	-44.15
O=S(=O)(C1=CC=C(Br)N=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221182	1	30	-1.0	-44.45	295.95	0.28	-44.17
CCOC(=O)C1=NOC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221183	0	39	-1.0	-48.63	354.25	1.46	-47.17
CCOC(=O)C1=NOC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221183	1	39	-1.0	-48.65	354.32	1.48	-47.17
N#CC1=CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020221184	0	32	-1.0	-44.58	310.51	1.92	-42.66
N#CC1=CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020221184	1	32	-1.0	-44.61	310.58	1.94	-42.67
O=C(OCC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221185	0	34	-1.0	-38.55	314.82	5.34	-33.21
O=C(OCC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221185	1	34	-1.0	-38.56	314.89	5.35	-33.21
O=C(OCC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221186	0	34	-1.0	-41.49	310.01	5.20	-36.29
O=C(OCC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221186	1	34	-1.0	-41.53	310.09	5.22	-36.31
COC1=CC=CC(COC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221187	0	38	-1.0	-41.11	323.04	4.02	-37.09
COC1=CC=CC(COC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221187	1	38	-1.0	-41.11	323.11	4.03	-37.08
O=C(NC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)C(F)(F)F	REAL300020221188	0	38	-1.0	-41.66	351.73	0.95	-40.71
O=C(NC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C(F)(F)F	REAL300020221188	1	38	-1.0	-41.64	351.80	0.95	-40.69
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)OC=C1	REAL300020221189	0	34	-1.0	-46.66	312.23	0.71	-45.95
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)OC=C1	REAL300020221189	1	34	-1.0	-46.67	312.31	0.73	-45.94
CCC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)C=C1OC	REAL300020221190	0	44	-1.0	-41.95	354.88	2.95	-39.00
CCC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)C=C1OC	REAL300020221190	1	44	-1.0	-41.95	354.95	2.95	-39.00
O=S(=O)(C1=CC=C(C(F)(F)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221191	0	37	-1.0	-42.32	346.95	3.53	-38.79
O=S(=O)(C1=CC=C(C(F)(F)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221191	1	37	-1.0	-42.36	347.02	3.54	-38.82
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221192	0	39	-1.0	-49.56	346.21	2.66	-46.90
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221192	1	39	-1.0	-49.57	346.29	2.68	-46.89
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020221193	0	33	-1.0	-47.31	303.11	0.70	-46.61
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020221193	1	33	-1.0	-47.29	303.04	0.69	-46.60
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020221194	0	40	-1.0	-45.32	329.01	4.85	-40.47
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020221194	1	40	-1.0	-45.27	329.08	4.86	-40.41
O=C(NC1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020221195	0	38	-1.0	-41.85	333.35	1.41	-40.44
O=C(NC1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020221195	1	38	-1.0	-41.88	333.40	1.42	-40.46
O=S(=O)(C1=CC(O)=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221196	0	35	-1.0	-41.58	326.04	-0.16	-41.74
O=S(=O)(C1=CC(O)=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221196	1	35	-1.0	-41.59	326.11	-0.14	-41.73
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221197	0	35	-1.0	-45.41	309.62	2.79	-42.62
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221197	1	35	-1.0	-45.46	309.69	2.80	-42.66
CCCCN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020221198	0	43	-1.0	-43.11	358.48	2.26	-40.85
CCCCN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020221198	1	43	-1.0	-43.09	358.55	2.26	-40.83
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(OC)C=C1F	REAL300020221199	0	41	-1.0	-43.62	359.03	2.24	-41.38
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(OC)C=C1F	REAL300020221199	1	41	-1.0	-43.65	359.10	2.26	-41.39
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221200	0	41	-1.0	-49.25	352.89	2.81	-46.44
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221200	1	41	-1.0	-49.26	352.96	2.81	-46.45
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221201	0	44	-1.0	-46.22	372.23	3.15	-43.07
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221201	1	44	-1.0	-46.25	372.31	3.15	-43.10
O=S(=O)(CC12CC[N@H+](C1)CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221202	0	44	0.0	-71.44	332.25	2.30	-69.14
O=S(=O)(CC12CC[N@@H+](C1)CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221202	1	44	0.0	-64.47	332.28	2.28	-62.19
O=S(=O)(CC12CC[N@H+](C1)CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221202	1	44	0.0	-71.45	332.33	2.32	-69.13
O=S(=O)(CC12CC[N@@H+](C1)CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221202	1	44	0.0	-64.48	332.35	2.28	-62.20
COC(=O)C1CCC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221203	0	43	-1.0	-45.14	353.40	2.60	-42.54
COC(=O)C1CCC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221203	1	43	-1.0	-45.15	353.47	2.62	-42.53
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)C1(COCC2=CC=CC=C2)CC1	REAL300020221204	0	45	-1.0	-46.29	375.60	5.08	-41.21
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)C1(COCC2=CC=CC=C2)CC1	REAL300020221204	1	45	-1.0	-46.28	375.67	5.10	-41.18
CC1=NN(CCS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)O1	REAL300020221205	0	36	-1.0	-47.83	325.69	-2.30	-50.13
CC1=NN(CCS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)O1	REAL300020221205	1	36	-1.0	-47.79	325.77	-2.30	-50.09
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221206	0	35	-1.0	-43.83	307.75	1.74	-42.09
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221206	1	35	-1.0	-43.85	307.82	1.76	-42.09
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(C)C	REAL300020221207	0	47	-1.0	-41.00	386.18	3.90	-37.10
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(C)C	REAL300020221207	1	47	-1.0	-41.00	386.25	3.91	-37.09
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020221208	0	43	-1.0	-42.63	354.44	3.91	-38.72
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020221208	1	43	-1.0	-42.68	354.51	3.91	-38.77
N#CC1=CC(F)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221209	0	32	-1.0	-40.46	303.21	2.15	-38.31
N#CC1=CC(F)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221209	1	32	-1.0	-40.49	303.28	2.16	-38.33
O=S(=O)(CC1=CC=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221210	0	34	-1.0	-44.68	320.14	2.92	-41.76
O=S(=O)(CC1=CC=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221210	1	34	-1.0	-44.64	320.21	2.93	-41.71
O=S(=O)(CC1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221211	0	50	-1.0	-44.42	402.12	6.22	-38.20
O=S(=O)(CC1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221211	1	50	-1.0	-44.43	402.19	6.22	-38.21
CS(=O)(=NS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1F	REAL300020221212	0	38	-1.0	-54.04	344.90	0.53	-53.51
CS(=O)(=NS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1F	REAL300020221212	1	38	-1.0	-54.04	344.97	0.54	-53.50
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221213	0	40	-1.0	-47.90	355.09	3.06	-44.84
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221213	1	40	-1.0	-47.92	355.17	3.08	-44.84
O=S(=O)(C1=C(Br)C2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221214	0	34	-1.0	-44.40	323.79	2.79	-41.61
O=S(=O)(C1=C(Br)C2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221214	1	34	-1.0	-44.40	323.86	2.79	-41.61
CN1N=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020221215	0	34	-1.0	-40.42	299.18	-0.05	-40.47
CN1N=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020221215	1	34	-1.0	-40.40	299.11	-0.06	-40.46
O=S(=O)(C1=NC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221216	0	36	-1.0	-48.54	319.15	1.89	-46.65
O=S(=O)(C1=NC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221216	1	36	-1.0	-48.52	319.08	1.89	-46.63
O=S(=O)(C1=C2C=CC=CN2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221217	0	34	-1.0	-48.90	300.83	1.20	-47.70
O=S(=O)(C1=C2C=CC=CN2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221217	1	34	-1.0	-48.93	300.75	1.19	-47.74
CC(C)(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)(F)F	REAL300020221218	0	39	-1.0	-41.25	314.92	2.19	-39.06
CC(C)(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)(F)F	REAL300020221218	1	39	-1.0	-41.27	315.00	2.20	-39.07
NS(=O)(=O)CCCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221219	0	38	-1.0	-57.20	339.22	-4.06	-61.26
NS(=O)(=O)CCCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221219	1	38	-1.0	-57.17	339.29	-4.05	-61.22
O=S(=O)(C1=CNC2=NC=NC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221220	0	33	-1.0	-43.61	295.88	0.60	-43.01
O=S(=O)(C1=CNC2=NC=NC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221220	1	33	-1.0	-43.67	295.95	0.61	-43.06
O=S(=O)(C1=CNC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221222	0	35	-1.0	-43.99	306.09	1.52	-42.47
O=S(=O)(C1=CNC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221222	1	35	-1.0	-44.01	306.16	1.54	-42.47
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221223	0	41	-1.0	-41.93	334.19	1.67	-40.26
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221223	1	41	-1.0	-41.91	334.26	1.67	-40.24
O=S(=O)(C1=CSC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020221224	0	28	-1.0	-41.66	278.63	1.02	-40.64
O=S(=O)(C1=CSC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020221224	1	28	-1.0	-41.66	278.70	1.02	-40.64
CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(C)(C)C)=N1	REAL300020221225	0	43	-1.0	-42.16	348.97	2.01	-40.15
CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(C)(C)C)=N1	REAL300020221225	1	43	-1.0	-42.17	348.89	2.01	-40.16
CCC(C)(C)CCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221226	0	42	-1.0	-39.87	331.08	2.35	-37.52
CCC(C)(C)CCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221226	1	42	-1.0	-39.89	331.16	2.35	-37.54
O=S(=O)(C1=CN(C2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221227	0	41	-1.0	-43.15	343.44	2.06	-41.09
O=S(=O)(C1=CN(C2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221227	1	41	-1.0	-43.17	343.38	2.05	-41.12
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221228	0	34	-1.0	-42.59	302.79	0.31	-42.28
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221228	1	34	-1.0	-42.56	302.72	0.31	-42.25
CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=N1	REAL300020221229	0	31	-1.0	-42.83	294.99	-0.35	-43.18
CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=N1	REAL300020221229	1	31	-1.0	-42.84	294.92	-0.35	-43.19
O=S(=O)(C1=CC=C(C(F)(F)F)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221230	0	33	-1.0	-39.17	310.78	0.78	-38.39
O=S(=O)(C1=CC=C(C(F)(F)F)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221230	1	33	-1.0	-39.20	310.71	0.76	-38.44
CS(=O)(=NS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020221231	0	44	-1.0	-55.79	361.27	1.05	-54.74
CS(=O)(=NS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020221231	1	44	-1.0	-55.80	361.35	1.07	-54.73
O=S(=O)(C1=C(Cl)C2=CC=CC=C2N=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221232	0	36	-1.0	-44.29	338.55	3.20	-41.09
O=S(=O)(C1=C(Cl)C2=CC=CC=C2N=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221232	1	36	-1.0	-44.29	338.48	3.20	-41.09
O=S(=O)(C1=CC=CC(Br)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221233	0	30	-1.0	-46.28	293.33	0.31	-45.97
O=S(=O)(C1=CC=CC(Br)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221233	1	30	-1.0	-46.24	293.26	0.30	-45.94
O=S(=O)(CC1CC2(CCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221234	0	41	-1.0	-39.96	337.14	3.28	-36.68
O=S(=O)(CC1CC2(CCC2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221234	1	41	-1.0	-40.00	337.21	3.29	-36.71
O=S(=O)(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221235	0	43	-1.0	-46.47	381.99	4.97	-41.50
O=S(=O)(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221235	1	43	-1.0	-46.43	382.07	4.97	-41.46
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221236	0	38	-1.0	-43.71	334.26	1.86	-41.85
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221236	1	38	-1.0	-43.75	334.34	1.87	-41.88
O=C(C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F)N1CCCC1	REAL300020221237	0	45	-1.0	-48.82	382.14	2.84	-45.98
O=C(C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F)N1CCCC1	REAL300020221237	1	45	-1.0	-48.88	382.21	2.84	-46.04
O=S(=O)(C1=CC(F)=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020221238	0	31	-2.0	-84.87	284.26	0.39	-84.48
O=S(=O)(C1=CC(F)=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020221238	1	31	-2.0	-84.87	284.33	0.40	-84.47
C=CCCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221239	0	41	-1.0	-44.19	352.94	4.43	-39.76
C=CCCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221239	1	41	-1.0	-44.16	353.02	4.45	-39.71
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221240	0	34	-1.0	-50.64	308.49	-0.77	-51.41
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221240	1	34	-1.0	-50.69	308.56	-0.77	-51.46
CCC1=NN(C)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221241	0	37	-1.0	-40.19	321.38	0.79	-39.40
CCC1=NN(C)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221241	1	37	-1.0	-40.19	321.45	0.80	-39.39
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020221242	0	36	-1.0	-43.36	321.23	2.12	-41.24
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020221242	1	36	-1.0	-43.34	321.30	2.13	-41.21
COC1=NC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221243	0	34	-1.0	-44.08	299.29	-1.09	-45.17
COC1=NC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221243	1	34	-1.0	-44.06	299.21	-1.10	-45.16
CC(C)C(C)(C)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221244	0	42	-1.0	-39.48	319.31	2.44	-37.04
CC(C)C(C)(C)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221244	1	42	-1.0	-39.49	319.38	2.44	-37.05
CC1(C)COC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221245	0	41	-1.0	-41.48	336.25	0.96	-40.52
CC1(C)COC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221245	1	41	-1.0	-41.51	336.33	0.97	-40.54
O=S(=O)(CC1CC2(CCC2)CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221246	0	42	-1.0	-43.92	343.48	1.70	-42.22
O=S(=O)(CC1CC2(CCC2)CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221246	1	42	-1.0	-43.94	343.55	1.71	-42.23
COC1=NSC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221247	0	31	-1.0	-40.95	289.79	-2.36	-43.31
COC1=NSC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221247	1	31	-1.0	-40.91	289.72	-2.37	-43.28
CS(=O)(=O)CCCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221248	0	39	-1.0	-57.01	346.13	-1.52	-58.53
CS(=O)(=O)CCCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221248	1	39	-1.0	-56.98	346.20	-1.51	-58.49
CC1(C)CCC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)OC1	REAL300020221249	0	44	-1.0	-43.27	350.63	1.84	-41.43
CC1(C)CCC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)OC1	REAL300020221249	1	44	-1.0	-43.25	350.70	1.85	-41.40
O=S(=O)(CC1CCC2(CCOCC2)CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221250	0	49	-1.0	-43.53	377.18	1.05	-42.48
O=S(=O)(CC1CCC2(CCOCC2)CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221250	1	49	-1.0	-43.52	377.25	1.06	-42.46
COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221251	0	40	-1.0	-43.58	334.06	1.87	-41.71
COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221251	1	40	-1.0	-43.58	334.13	1.87	-41.71
O=S(=O)(CC1=C(Cl)SC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221252	0	30	-1.0	-48.05	299.68	-0.07	-48.12
O=S(=O)(CC1=C(Cl)SC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221252	1	30	-1.0	-48.11	299.75	-0.05	-48.16
O=S(=O)(C1=CC=C(CCl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221253	0	34	-1.0	-45.05	314.28	2.94	-42.11
O=S(=O)(C1=CC=C(CCl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221253	1	34	-1.0	-45.04	314.36	2.95	-42.09
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221254	0	40	-1.0	-57.96	340.03	-0.29	-58.25
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221254	1	40	-1.0	-57.95	340.11	-0.28	-58.23
CCCCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(C)C	REAL300020221255	0	53	-1.0	-40.68	429.17	5.48	-35.20
CCCCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(C)C	REAL300020221255	1	53	-1.0	-40.69	429.24	5.49	-35.20
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C#N)=C1	REAL300020221256	0	35	-1.0	-49.35	307.05	2.32	-47.03
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C#N)=C1	REAL300020221256	1	35	-1.0	-49.36	307.12	2.32	-47.04
CC1=CC=CC(C#N)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221257	0	35	-1.0	-41.97	303.33	2.68	-39.29
CC1=CC=CC(C#N)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221257	1	35	-1.0	-42.00	303.41	2.68	-39.32
O=S(=O)(C1=CC=C(F)C(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221258	0	34	-1.0	-43.27	315.41	2.61	-40.66
O=S(=O)(C1=CC=C(F)C(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221258	1	34	-1.0	-43.29	315.48	2.61	-40.68
O=C1CCCC2=CC(Cl)=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020221259	0	42	-1.0	-44.43	358.37	2.09	-42.34
O=C1CCCC2=CC(Cl)=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020221259	1	42	-1.0	-44.46	358.45	2.09	-42.37
CN(C)S(=O)(=NS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020221260	0	43	-1.0	-55.69	372.06	0.99	-54.70
CN(C)S(=O)(=NS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020221260	1	43	-1.0	-55.70	372.13	0.99	-54.71
O=S(=O)(C=CC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221261	0	35	-1.0	-44.25	324.36	3.37	-40.88
O=S(=O)(C=CC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221261	1	35	-1.0	-44.24	324.43	3.39	-40.85
CCCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(C)(C)C	REAL300020221262	0	53	-1.0	-40.65	420.23	5.37	-35.28
CCCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(C)(C)C	REAL300020221262	1	53	-1.0	-40.67	420.31	5.37	-35.30
CCCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1CC	REAL300020221263	0	47	-1.0	-40.80	390.77	4.17	-36.63
CCCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1CC	REAL300020221263	1	47	-1.0	-40.81	390.84	4.17	-36.64
N#CCCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221264	0	38	-1.0	-49.75	339.49	3.61	-46.14
N#CCCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221264	1	38	-1.0	-49.81	339.56	3.62	-46.19
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221265	0	37	-1.0	-38.10	318.15	3.73	-34.37
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221265	1	37	-1.0	-38.11	318.22	3.74	-34.37
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221266	0	45	-1.0	-54.07	371.74	1.40	-52.67
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221266	1	45	-1.0	-54.06	371.81	1.40	-52.66
O=S(=O)(CC1=CC=C(N2C=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221267	0	41	-1.0	-50.31	358.70	3.62	-46.69
O=S(=O)(CC1=CC=C(N2C=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221267	1	41	-1.0	-50.31	358.62	3.61	-46.70
O=S(=O)(CC1=CC=CC(F)=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020221268	0	34	-1.0	-44.94	322.21	3.03	-41.91
O=S(=O)(CC1=CC=CC(F)=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020221268	1	34	-1.0	-44.96	322.29	3.05	-41.91
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221269	0	37	-1.0	-43.93	337.23	3.61	-40.32
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221269	1	37	-1.0	-43.97	337.30	3.61	-40.36
CC1(C)CCCC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020221270	0	44	-1.0	-41.68	348.47	2.04	-39.64
CC1(C)CCCC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020221270	1	44	-1.0	-41.72	348.54	2.05	-39.67
CC1=CN=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221271	0	33	-1.0	-44.32	300.17	0.79	-43.53
CC1=CN=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221271	1	33	-1.0	-44.29	300.10	0.77	-43.52
COC1=NSC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221272	0	31	-1.0	-38.73	295.28	-2.49	-41.22
COC1=NSC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221272	1	31	-1.0	-38.75	295.21	-2.51	-41.26
COC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221273	0	37	-1.0	-49.65	316.50	1.45	-48.20
COC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221273	1	37	-1.0	-49.68	316.57	1.47	-48.21
CCOC(=O)C1=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C2C=CC=CN12	REAL300020221274	0	43	-1.0	-55.42	377.29	3.40	-52.02
CCOC(=O)C1=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C2C=CC=CN12	REAL300020221274	1	43	-1.0	-55.39	377.22	3.39	-52.00
O=S(=O)(CCCS(=O)(=O)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221275	0	36	-1.0	-56.05	344.26	-1.70	-57.75
O=S(=O)(CCCS(=O)(=O)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221275	1	36	-1.0	-56.07	344.34	-1.69	-57.76
CN1C=CC2=CC=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=C21	REAL300020221276	0	38	-1.0	-43.87	317.12	3.58	-40.29
CN1C=CC2=CC=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=C21	REAL300020221276	1	38	-1.0	-43.86	317.19	3.59	-40.27
O=S(=O)(C1CCC(F)(F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221277	0	37	-1.0	-39.79	309.24	2.12	-37.67
O=S(=O)(C1CCC(F)(F)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221277	1	37	-1.0	-39.79	309.32	2.12	-37.67
O=S(=O)(C1=C(C2OCCO2)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221278	0	37	-1.0	-41.36	326.42	0.53	-40.83
O=S(=O)(C1=C(C2OCCO2)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221278	1	37	-1.0	-41.39	326.49	0.54	-40.85
O=S(=O)(CC1CS(=O)(=O)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221279	0	34	-1.0	-55.21	306.65	-2.64	-57.85
O=S(=O)(CC1CS(=O)(=O)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221279	1	34	-1.0	-55.26	306.72	-2.63	-57.89
O=S(=O)(CCC(C1=CC=CC=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221280	0	43	-1.0	-49.14	373.27	4.58	-44.56
O=S(=O)(CCC(C1=CC=CC=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221280	1	43	-1.0	-49.16	373.34	4.60	-44.56
O=S(=O)(F)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221281	0	34	-1.0	-43.83	322.82	-1.25	-45.08
O=S(=O)(F)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221281	1	34	-1.0	-43.82	322.89	-1.24	-45.06
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221282	0	41	-1.0	-41.19	352.03	3.90	-37.29
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221282	1	41	-1.0	-41.15	352.10	3.91	-37.24
CC(C)(CCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020221283	0	43	-1.0	-43.32	340.80	3.11	-40.21
CC(C)(CCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020221283	1	43	-1.0	-43.38	340.88	3.12	-40.26
CCOC(=O)C1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)N(C)N=C1	REAL300020221284	0	40	-1.0	-46.35	345.11	1.60	-44.75
CCOC(=O)C1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)N(C)N=C1	REAL300020221284	1	40	-1.0	-46.36	345.04	1.59	-44.77
O=S(=O)(C=CC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221285	0	35	-1.0	-42.58	322.62	3.30	-39.28
O=S(=O)(C=CC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221285	1	35	-1.0	-42.57	322.69	3.31	-39.26
CC(F)(F)CCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221286	0	36	-1.0	-50.83	315.11	1.83	-49.00
CC(F)(F)CCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221286	1	36	-1.0	-50.90	315.18	1.85	-49.05
O=S(=O)(CCCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221287	0	40	-1.0	-41.59	343.03	3.94	-37.65
O=S(=O)(CCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221287	1	40	-1.0	-41.63	343.11	3.95	-37.68
O=S(=O)(CC1CCCC2(CCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221288	0	45	-1.0	-42.22	359.99	2.60	-39.62
O=S(=O)(CC1CCCC2(CCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221288	1	45	-1.0	-42.20	360.06	2.60	-39.60
O=S(=O)(CC1CCC(C(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221289	0	38	-1.0	-45.67	335.30	1.06	-44.61
O=S(=O)(CC1CCC(C(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221289	1	38	-1.0	-45.65	335.37	1.07	-44.58
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(F)C(F)=C1F	REAL300020221290	0	37	-1.0	-38.88	343.10	2.37	-36.51
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(F)C(F)=C1F	REAL300020221290	1	37	-1.0	-38.85	343.17	2.39	-36.46
O=S(=O)(CC1CCCC(C(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221291	0	41	-1.0	-42.86	344.79	1.83	-41.03
O=S(=O)(CC1CCCC(C(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221291	1	41	-1.0	-42.83	344.86	1.83	-41.00
O=S(=O)(C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221292	0	41	-1.0	-45.71	358.44	4.54	-41.17
O=S(=O)(C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221292	1	41	-1.0	-45.73	358.52	4.55	-41.18
CC(C)(C)OC(=O)N1CCCC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221293	0	51	-1.0	-48.14	401.13	2.60	-45.54
CC(C)(C)OC(=O)N1CCCC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221293	1	51	-1.0	-48.17	401.20	2.61	-45.56
COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221294	0	37	-1.0	-52.28	320.29	1.44	-50.84
COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221294	1	37	-1.0	-52.26	320.36	1.45	-50.81
O=S(=O)(CC1=NOC(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221295	0	36	-1.0	-47.89	323.45	-0.60	-48.49
O=S(=O)(CC1=NOC(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221295	1	36	-1.0	-47.90	323.53	-0.60	-48.50
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221296	0	37	-1.0	-43.01	338.04	2.66	-40.35
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221296	1	37	-1.0	-43.04	338.12	2.67	-40.37
N#CC1CCOCC1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221297	0	36	-1.0	-43.34	302.50	-0.34	-43.68
N#CC1CCOCC1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221297	1	36	-1.0	-43.36	302.57	-0.34	-43.70
O=S(=O)(CC[C@@H]1C[C@H]1C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221298	0	41	-1.0	-43.44	347.04	3.98	-39.46
O=S(=O)(CC[C@@H]1C[C@H]1C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221298	1	41	-1.0	-43.47	347.12	3.99	-39.48
O=S(=O)(CC1=CC=CC2=NSN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221299	0	35	-1.0	-50.78	324.48	0.73	-50.05
O=S(=O)(CC1=CC=CC2=NSN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221299	1	35	-1.0	-50.80	324.56	0.73	-50.07
CC1CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCO1	REAL300020221300	0	41	-1.0	-39.99	324.33	0.89	-39.10
CC1CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCO1	REAL300020221300	1	41	-1.0	-39.99	324.40	0.89	-39.10
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020221301	0	40	-1.0	-45.60	357.46	3.61	-41.99
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020221301	1	40	-1.0	-45.61	357.39	3.60	-42.01
CO[C@H]1C2=CC=CC=C2CC[C@@H]1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221302	0	45	-1.0	-46.71	363.90	3.21	-43.50
CO[C@H]1C2=CC=CC=C2CC[C@@H]1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221302	1	45	-1.0	-46.72	363.98	3.21	-43.51
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(C(N)=O)O1	REAL300020221303	0	35	-1.0	-46.63	310.13	-2.86	-49.49
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(C(N)=O)O1	REAL300020221303	1	35	-1.0	-46.67	310.20	-2.84	-49.51
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221304	0	40	-1.0	-41.17	330.34	4.32	-36.85
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221304	1	40	-1.0	-41.18	330.41	4.34	-36.84
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(=O)OC	REAL300020221305	0	43	-1.0	-44.81	381.96	3.31	-41.50
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(=O)OC	REAL300020221305	1	43	-1.0	-44.89	382.03	3.31	-41.58
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221306	0	44	-1.0	-47.57	379.35	2.54	-45.03
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221306	1	44	-1.0	-47.58	379.43	2.54	-45.04
O=S(=O)(CC1=NOC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221307	0	40	-1.0	-46.32	338.08	2.43	-43.89
O=S(=O)(CC1=NOC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221307	1	40	-1.0	-46.32	338.15	2.44	-43.88
O=S(=O)(C1=CSC=C1C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221308	0	31	-1.0	-41.86	289.19	1.30	-40.56
O=S(=O)(C1=CSC=C1C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221308	1	31	-1.0	-41.81	289.27	1.32	-40.49
COC(=O)C1=CC=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221309	0	36	-1.0	-46.38	327.05	0.49	-45.89
COC(=O)C1=CC=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221309	1	36	-1.0	-46.38	326.98	0.48	-45.90
O=S(=O)(CCC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221310	0	37	-1.0	-47.07	327.32	3.24	-43.83
O=S(=O)(CCC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221310	1	37	-1.0	-47.07	327.39	3.25	-43.82
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221311	0	47	-1.0	-45.77	389.70	4.44	-41.33
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221311	1	47	-1.0	-45.76	389.77	4.44	-41.32
O=S(=O)(C1=CC=CC2=CC=NC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221312	0	36	-1.0	-48.99	306.99	1.89	-47.10
O=S(=O)(C1=CC=CC2=CC=NC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221312	1	36	-1.0	-49.01	306.92	1.88	-47.13
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221313	0	38	-1.0	-48.47	338.93	1.82	-46.65
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221313	1	38	-1.0	-48.47	339.01	1.83	-46.64
CN1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221314	0	38	-1.0	-39.30	310.94	-1.64	-40.94
CN1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221314	1	38	-1.0	-39.31	311.02	-1.62	-40.93
O=CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221315	0	33	-1.0	-46.66	298.97	1.38	-45.28
O=CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221315	1	33	-1.0	-46.67	299.04	1.40	-45.27
O=S(=O)(CCCC1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221316	0	46	-1.0	-43.41	364.04	4.13	-39.28
O=S(=O)(CCCC1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221316	1	46	-1.0	-43.51	364.12	4.13	-39.38
N#CC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020221317	0	32	-1.0	-43.31	298.05	1.99	-41.32
N#CC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020221317	1	32	-1.0	-43.28	298.12	2.01	-41.27
O=[N+]([O-])C1=CN=C(Cl)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221318	0	32	-1.0	-37.96	306.13	0.80	-37.16
O=[N+]([O-])C1=CN=C(Cl)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221318	1	32	-1.0	-37.90	306.06	0.79	-37.11
O=S(=O)(CC12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221319	0	48	-1.0	-40.18	353.28	4.54	-35.64
O=S(=O)(CC12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221319	1	48	-1.0	-40.17	353.35	4.56	-35.61
O=[N+]([O-])C1=CC=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221320	0	32	-1.0	-42.69	300.41	0.51	-42.18
O=[N+]([O-])C1=CC=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221320	1	32	-1.0	-42.63	300.34	0.49	-42.14
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221321	0	34	-1.0	-39.09	330.53	0.98	-38.11
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221321	1	34	-1.0	-39.12	330.60	0.99	-38.13
O=S(=O)(CC1=CC2=NON=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221322	0	35	-1.0	-46.39	315.48	1.17	-45.22
O=S(=O)(CC1=CC2=NON=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221322	1	35	-1.0	-46.37	315.56	1.18	-45.19
COCCC1(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221323	0	38	-1.0	-40.36	314.13	0.72	-39.64
COCCC1(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221323	1	38	-1.0	-40.34	314.21	0.75	-39.59
N#CC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020221324	0	32	-1.0	-47.80	302.82	2.29	-45.51
N#CC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020221324	1	32	-1.0	-47.84	302.89	2.30	-45.54
O=S(=O)(C1=CC=C2SC=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221325	0	33	-1.0	-44.82	306.99	1.11	-43.71
O=S(=O)(C1=CC=C2SC=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221325	1	33	-1.0	-44.79	306.91	1.10	-43.69
O=S(=O)(CCOC1CCOC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221326	0	39	-1.0	-41.64	331.08	-1.15	-42.79
O=S(=O)(CCOC1CCOC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221326	1	39	-1.0	-41.66	331.15	-1.14	-42.80
O=S(=O)(C1=CC=C(F)C(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221327	0	31	-1.0	-38.82	303.72	2.23	-36.59
O=S(=O)(C1=CC=C(F)C(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221327	1	31	-1.0	-38.81	303.80	2.23	-36.58
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1	REAL300020221328	0	34	-1.0	-42.85	314.30	-1.42	-44.27
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020221328	1	34	-1.0	-42.89	314.38	-1.40	-44.29
O=C1OCCN1CCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221329	0	36	-1.0	-54.52	316.66	-0.49	-55.01
O=C1OCCN1CCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221329	1	36	-1.0	-54.54	316.73	-0.48	-55.02
O=S(=O)(CC1CCC(C2CC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221330	0	42	-1.0	-42.40	348.91	2.18	-40.22
O=S(=O)(CC1CCC(C2CC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221330	1	42	-1.0	-42.40	348.98	2.18	-40.22
COCC1(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020221331	0	38	-1.0	-39.48	312.12	0.83	-38.65
COCC1(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020221331	1	38	-1.0	-39.48	312.20	0.84	-38.64
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221332	0	40	-1.0	-51.85	348.63	2.54	-49.31
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221332	1	40	-1.0	-51.88	348.70	2.55	-49.33
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020221333	0	45	-1.0	-43.02	371.76	1.73	-41.29
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020221333	1	45	-1.0	-43.03	371.83	1.74	-41.29
O=C(C1CC1)N1CCC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020221334	0	46	-1.0	-50.74	386.91	4.31	-46.43
O=C(C1CC1)N1CCC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020221334	1	46	-1.0	-50.73	386.99	4.31	-46.42
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020221335	0	45	-1.0	-58.15	377.04	3.59	-54.56
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020221335	1	45	-1.0	-58.18	377.11	3.59	-54.59
O=S(=O)(C1=CN(C2CCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221336	0	38	-1.0	-44.68	326.19	1.36	-43.32
O=S(=O)(C1=CN(C2CCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221336	1	38	-1.0	-44.69	326.11	1.35	-43.34
O=S(=O)(C1=CC=NN1C1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221337	0	38	-1.0	-40.03	323.85	1.47	-38.56
O=S(=O)(C1=CC=NN1C1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221337	1	38	-1.0	-40.09	323.78	1.46	-38.63
O=S(=O)(C1=CC=NN1CC1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221338	0	41	-1.0	-41.59	345.86	2.21	-39.38
O=S(=O)(C1=CC=NN1CC1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221338	1	41	-1.0	-41.58	345.79	2.21	-39.37
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020221339	0	43	-1.0	-43.47	361.29	4.20	-39.27
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020221339	1	43	-1.0	-43.45	361.36	4.22	-39.23
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221340	0	44	-1.0	-47.60	375.39	3.09	-44.51
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221340	1	44	-1.0	-47.64	375.46	3.09	-44.55
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221341	0	41	-1.0	-46.86	351.58	2.66	-44.20
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221341	1	41	-1.0	-46.84	351.65	2.66	-44.18
O=S(=O)(C1=C([O-])C=CC=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221342	0	36	-1.0	-43.69	327.64	0.71	-42.98
O=S(=O)(C1=C([O-])C=CC=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221342	1	36	-1.0	-43.68	327.72	0.73	-42.95
O=S(=O)(C1=C(O)C=CC=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221342	1	36	-1.0	-43.69	327.64	0.71	-42.98
O=S(=O)(C1=C(O)C=CC=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221342	1	36	-1.0	-43.68	327.72	0.73	-42.95
CC1(C)COC2=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=NN2C1	REAL300020221343	0	42	-1.0	-42.70	349.74	-0.28	-42.98
CC1(C)COC2=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=NN2C1	REAL300020221343	1	42	-1.0	-42.72	349.67	-0.29	-43.01
O=S(=O)(C1=CN=C(C2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221344	0	37	-1.0	-42.09	342.89	2.62	-39.47
O=S(=O)(C1=CN=C(C2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221344	1	37	-1.0	-42.11	342.82	2.60	-39.51
O=C1COC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020221345	0	37	-1.0	-44.54	326.69	-1.09	-45.63
O=C1COC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020221345	1	37	-1.0	-44.54	326.76	-1.07	-45.61
O=S(=O)(C1=C(Br)C=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221346	0	28	-1.0	-40.82	280.08	0.29	-40.53
O=S(=O)(C1=C(Br)C=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221346	1	28	-1.0	-40.86	280.15	0.31	-40.55
COC1=C(F)C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020221347	0	35	-1.0	-39.68	321.84	1.23	-38.45
COC1=C(F)C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020221347	1	35	-1.0	-39.70	321.92	1.25	-38.45
O=S(=O)(C1=CN=C2CCCCN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221348	0	38	-1.0	-45.86	319.83	1.66	-44.20
O=S(=O)(C1=CN=C2CCCCN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221348	1	38	-1.0	-45.83	319.90	1.66	-44.17
COC1=CC(F)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020221349	0	35	-1.0	-40.85	313.11	0.96	-39.89
COC1=CC(F)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020221349	1	35	-1.0	-40.90	313.18	0.97	-39.93
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020221350	0	47	-1.0	-39.17	367.11	3.42	-35.75
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020221350	1	47	-1.0	-39.20	367.17	3.43	-35.77
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221351	0	41	-1.0	-42.54	343.50	3.06	-39.48
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221351	1	41	-1.0	-42.54	343.57	3.06	-39.48
CC1=CSC(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221352	0	34	-1.0	-39.77	296.29	2.26	-37.51
CC1=CSC(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221352	1	34	-1.0	-39.79	296.36	2.26	-37.53
CC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020221353	0	41	-1.0	-41.23	317.47	0.85	-40.38
CC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020221353	1	41	-1.0	-41.21	317.55	0.86	-40.35
O=S(=O)(C1=CC(F)=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020221354	0	31	-2.0	-84.87	284.26	0.39	-84.48
O=S(=O)(C1=CC(F)=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020221354	1	31	-2.0	-84.87	284.33	0.40	-84.47
O=S(=O)(CC1CCC2(CCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221355	0	42	-1.0	-44.49	343.81	2.03	-42.46
O=S(=O)(CC1CCC2(CCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221355	1	42	-1.0	-44.52	343.88	2.04	-42.48
CN1N=CC(C2OCCO2)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221356	0	40	-1.0	-42.25	339.71	-0.53	-42.78
CN1N=CC(C2OCCO2)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221356	1	40	-1.0	-42.24	339.63	-0.54	-42.78
O=S(=O)(C1=C(C2=CC=CC=C2)N=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221357	0	37	-1.0	-40.99	353.51	2.96	-38.03
O=S(=O)(C1=C(C2=CC=CC=C2)N=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221357	1	37	-1.0	-40.93	353.44	2.95	-37.98
O=S(=O)(CC1C[C@@H]2COC[C@@H]2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221358	0	40	-1.0	-49.58	331.91	-0.96	-50.54
O=S(=O)(CC1C[C@@H]2COC[C@@H]2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221358	1	40	-1.0	-49.57	331.98	-0.96	-50.53
COC(=O)[C@@H]1C[C@@H]1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221359	0	37	-1.0	-45.67	322.16	1.53	-44.14
COC(=O)[C@@H]1C[C@@H]1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221359	1	37	-1.0	-45.69	322.24	1.54	-44.15
COC1=CC=CC([O-])=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221360	0	36	-1.0	-44.57	311.14	0.23	-44.34
COC1=CC=CC([O-])=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221360	1	36	-1.0	-44.61	311.22	0.25	-44.36
COC1=CC=CC(O)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221360	1	36	-1.0	-44.57	311.14	0.23	-44.34
COC1=CC=CC(O)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221360	1	36	-1.0	-44.61	311.22	0.25	-44.36
CC1=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C2=CC=CC=C2)O1	REAL300020221361	0	40	-1.0	-46.97	352.34	0.65	-46.32
CC1=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C2=CC=CC=C2)O1	REAL300020221361	1	40	-1.0	-46.95	352.42	0.65	-46.30
CC1CC2=CC=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020221362	0	39	-1.0	-44.80	330.60	2.32	-42.48
CC1CC2=CC=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020221362	1	39	-1.0	-44.83	330.67	2.33	-42.50
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020221363	0	39	-1.0	-41.67	344.96	1.33	-40.34
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020221363	1	39	-1.0	-41.65	344.89	1.33	-40.32
N#CC1(C2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020221364	0	39	-1.0	-46.04	344.24	3.90	-42.14
N#CC1(C2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020221364	1	39	-1.0	-46.02	344.32	3.91	-42.11
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221365	0	35	-1.0	-42.04	314.07	2.25	-39.79
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221365	1	35	-1.0	-42.05	314.14	2.26	-39.79
CC1=C(Br)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020221366	0	34	-1.0	-41.74	319.42	3.01	-38.73
CC1=C(Br)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020221366	1	34	-1.0	-41.72	319.50	3.01	-38.71
O=S(=O)(C1=CC=C(C2(C(F)(F)F)N=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221367	0	37	-1.0	-40.24	351.67	-1.91	-42.15
O=S(=O)(C1=CC=C(C2(C(F)(F)F)N=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221367	1	37	-1.0	-40.26	351.75	-1.89	-42.15
O=S(=O)(CC1=NN(CC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221368	0	37	-1.0	-51.35	341.96	1.47	-49.88
O=S(=O)(CC1=NN(CC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221368	1	37	-1.0	-51.30	342.03	1.49	-49.81
O=S(=O)(C1=CN=C(C2OCCO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221369	0	36	-1.0	-42.96	331.87	-1.53	-44.49
O=S(=O)(C1=CN=C(C2OCCO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221369	1	36	-1.0	-42.95	331.94	-1.51	-44.46
CC1=CC(Cl)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1O	REAL300020221370	0	38	-1.0	-41.67	327.07	0.96	-40.71
CC1=CC(Cl)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1O	REAL300020221370	1	38	-1.0	-41.64	327.15	0.97	-40.67
O=S(=O)(C1=CN=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221371	0	30	-1.0	-38.31	293.67	0.33	-37.98
O=S(=O)(C1=CN=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221371	1	30	-1.0	-38.33	293.60	0.32	-38.01
CCC1=CN=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221372	0	36	-1.0	-40.78	314.21	1.26	-39.52
CCC1=CN=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221372	1	36	-1.0	-40.81	314.14	1.26	-39.55
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020221373	0	36	-1.0	-41.75	327.23	0.51	-41.24
COC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020221373	1	36	-1.0	-41.72	327.16	0.51	-41.21
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020221374	0	48	-1.0	-57.14	384.88	3.70	-53.44
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020221374	1	48	-1.0	-57.15	384.95	3.70	-53.45
O=S(=O)(C1=C(Cl)C=CC2=C1OCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221375	0	37	-1.0	-43.57	328.47	2.24	-41.33
O=S(=O)(C1=C(Cl)C=CC2=C1OCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221375	1	37	-1.0	-43.60	328.55	2.25	-41.35
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020221376	0	45	-1.0	-50.40	375.65	3.26	-47.14
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020221376	1	45	-1.0	-50.38	375.72	3.27	-47.11
O=S(=O)(C1=CSC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221377	0	28	-1.0	-39.09	274.28	0.84	-38.25
O=S(=O)(C1=CSC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221377	1	28	-1.0	-39.08	274.36	0.85	-38.23
CN1N=C(Br)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221378	0	31	-1.0	-39.82	296.97	-0.13	-39.95
CN1N=C(Br)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221378	1	31	-1.0	-39.79	296.89	-0.14	-39.93
O=[N+]([O-])C1=CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020221379	0	33	-1.0	-43.86	319.74	2.22	-41.64
O=[N+]([O-])C1=CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020221379	1	33	-1.0	-43.82	319.81	2.23	-41.59
O=S(=O)(C[C@@H]1C[C@@H]2CCCC[C@H]12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221380	0	44	-1.0	-40.48	343.41	3.71	-36.77
O=S(=O)(C[C@@H]1C[C@@H]2CCCC[C@H]12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221380	1	44	-1.0	-40.46	343.48	3.72	-36.74
O=S(=O)(C1=CN=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221381	0	33	-1.0	-40.13	310.18	0.81	-39.32
O=S(=O)(C1=CN=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221381	1	33	-1.0	-40.15	310.11	0.80	-39.35
CC1=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020221382	0	30	-1.0	-41.19	284.20	-0.72	-41.91
CC1=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020221382	1	30	-1.0	-41.17	284.28	-0.71	-41.88
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221383	0	36	-1.0	-51.55	316.90	1.27	-50.28
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221383	1	36	-1.0	-51.55	316.97	1.27	-50.28
CC1=CSC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020221384	0	30	-1.0	-43.81	284.46	-0.76	-44.57
CC1=CSC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020221384	1	30	-1.0	-43.81	284.53	-0.75	-44.56
N#CC1=CC=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221385	0	31	-1.0	-43.62	292.78	0.22	-43.40
N#CC1=CC=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221385	1	31	-1.0	-43.59	292.70	0.20	-43.39
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1C[C@@H]2CCC[C@@H]2C1	REAL300020221386	0	40	-1.0	-43.79	320.97	1.63	-42.16
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1C[C@@H]2CCC[C@@H]2C1	REAL300020221386	1	40	-1.0	-43.88	321.04	1.63	-42.25
O=S(=O)(C1=CNC2=CC(Br)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221387	0	35	-1.0	-42.53	326.82	2.08	-40.45
O=S(=O)(C1=CNC2=CC(Br)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221387	1	35	-1.0	-42.54	326.89	2.08	-40.46
O=S(=O)(C1=CC2=NON=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221388	0	32	-1.0	-41.51	291.17	0.46	-41.05
O=S(=O)(C1=CC2=NON=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221388	1	32	-1.0	-41.47	291.10	0.45	-41.02
O=S(=O)(C1=CC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221389	0	34	-1.0	-41.84	315.06	3.10	-38.74
O=S(=O)(C1=CC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221389	1	34	-1.0	-41.84	315.13	3.11	-38.73
O=S(=O)(C1=CNC2=C(Br)C=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221390	0	35	-1.0	-42.24	327.40	2.12	-40.12
O=S(=O)(C1=CNC2=C(Br)C=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221390	1	35	-1.0	-42.21	327.47	2.13	-40.08
O=S(=O)(C1=CN=C2NC=C(Cl)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221391	0	34	-1.0	-48.38	320.88	1.41	-46.97
O=S(=O)(C1=CN=C2NC=C(Cl)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221391	1	34	-1.0	-48.39	320.95	1.42	-46.97
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221392	0	38	-1.0	-40.58	327.91	1.42	-39.16
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221392	1	38	-1.0	-40.59	327.98	1.44	-39.15
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1F	REAL300020221393	0	40	-1.0	-38.36	324.76	3.75	-34.61
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1F	REAL300020221393	1	40	-1.0	-38.36	324.84	3.76	-34.60
COC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020221394	0	39	-1.0	-45.30	330.72	1.51	-43.79
COC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020221394	1	39	-1.0	-45.32	330.79	1.53	-43.79
O=C1NCCOC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020221395	0	40	-1.0	-54.44	344.53	-1.14	-55.58
O=C1NCCOC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020221395	1	40	-1.0	-54.42	344.60	-1.14	-55.56
N#CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020221396	0	32	-1.0	-42.86	316.75	2.55	-40.31
N#CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020221396	1	32	-1.0	-42.90	316.82	2.56	-40.34
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020221397	0	31	-1.0	-40.77	292.74	0.21	-40.56
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020221397	1	31	-1.0	-40.75	292.67	0.20	-40.55
O=S(=O)(C1=COC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221398	0	34	-1.0	-43.48	301.80	1.81	-41.67
O=S(=O)(C1=COC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221398	1	34	-1.0	-43.48	301.87	1.81	-41.67
COC1=CC=C(F)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020221399	0	39	-1.0	-44.85	337.06	1.92	-42.93
COC1=CC=C(F)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020221399	1	39	-1.0	-44.84	337.13	1.92	-42.92
CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CCCC2)=N1	REAL300020221400	0	44	-1.0	-43.68	351.96	2.33	-41.35
CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CCCC2)=N1	REAL300020221400	1	44	-1.0	-43.69	352.02	2.34	-41.35
N#CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2S1	REAL300020221401	0	35	-1.0	-46.10	327.08	3.59	-42.51
N#CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2S1	REAL300020221401	1	35	-1.0	-46.12	327.15	3.60	-42.52
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1N	REAL300020221402	0	35	-1.0	-42.22	304.32	-0.63	-42.85
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1N	REAL300020221402	1	35	-1.0	-42.20	304.24	-0.63	-42.83
CCOC(C)(C)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221403	0	40	-1.0	-41.03	322.86	0.83	-40.20
CCOC(C)(C)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221403	1	40	-1.0	-41.04	322.93	0.84	-40.20
CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CC2)=N1	REAL300020221404	0	38	-1.0	-43.36	325.19	1.37	-41.99
CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CC2)=N1	REAL300020221404	1	38	-1.0	-43.35	325.26	1.39	-41.96
NC1=CC=CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020221405	0	39	-1.0	-43.52	333.87	1.89	-41.63
NC1=CC=CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020221405	1	39	-1.0	-43.54	333.94	1.90	-41.64
O=C1NC(=O)C(CCS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)N1	REAL300020221406	0	36	-1.0	-48.08	319.78	-4.39	-52.47
O=C1NC(=O)C(CCS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)N1	REAL300020221406	1	36	-1.0	-48.06	319.85	-4.38	-52.44
O=CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020221407	0	30	-1.0	-38.17	287.73	0.48	-37.69
O=CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020221407	1	30	-1.0	-38.17	287.80	0.48	-37.69
O=S(=O)(C1=CN=C2C=CC=CN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221408	0	34	-1.0	-46.63	301.54	2.11	-44.52
O=S(=O)(C1=CN=C2C=CC=CN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221408	1	34	-1.0	-46.60	301.47	2.09	-44.51
O=S(=O)(CC1COCCO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221409	0	36	-1.0	-42.19	304.62	-0.98	-43.17
O=S(=O)(CC1COCCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221409	1	36	-1.0	-42.24	304.69	-0.98	-43.22
O=S(=O)(CCCCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221410	0	36	-1.0	-48.12	322.12	2.09	-46.03
O=S(=O)(CCCCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221410	1	36	-1.0	-48.10	322.20	2.10	-46.00
CC(C)C(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020221411	0	45	-1.0	-40.85	339.12	2.95	-37.90
CC(C)C(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020221411	1	45	-1.0	-40.86	339.19	2.97	-37.89
CC(C)(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)F	REAL300020221412	0	36	-1.0	-41.15	301.50	1.73	-39.42
CC(C)(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)F	REAL300020221412	1	36	-1.0	-41.18	301.58	1.74	-39.44
CN1C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCS1(=O)=O	REAL300020221413	0	39	-1.0	-47.07	336.33	-2.57	-49.64
CN1C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCS1(=O)=O	REAL300020221413	1	39	-1.0	-47.01	336.41	-2.57	-49.58
O=S(=O)(C[C@@H]1C[C@H]1C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221414	0	34	-1.0	-42.19	304.41	1.81	-40.38
O=S(=O)(C[C@@H]1C[C@H]1C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221414	1	34	-1.0	-42.20	304.49	1.81	-40.39
CC1(C)COCC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020221415	0	42	-1.0	-43.54	342.51	0.16	-43.38
CC1(C)COCC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020221415	1	42	-1.0	-43.52	342.59	0.17	-43.35
O=S(=O)(C1=CC=C(OC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221416	0	35	-1.0	-46.51	314.98	1.24	-45.27
O=S(=O)(C1=CC=C(OC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221416	1	35	-1.0	-46.52	315.06	1.25	-45.27
O=S(=O)(C1=CNC2=CC=C(Br)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221417	0	35	-1.0	-43.64	327.45	2.13	-41.51
O=S(=O)(C1=CNC2=CC=C(Br)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221417	1	35	-1.0	-43.66	327.53	2.15	-41.51
O=S(=O)(C1=C(F)C=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221418	0	34	-1.0	-44.79	305.65	0.87	-43.92
O=S(=O)(C1=C(F)C=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221418	1	34	-1.0	-44.79	305.72	0.87	-43.92
CN1N=NC2=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020221419	0	36	-1.0	-48.87	317.73	0.18	-48.69
CN1N=NC2=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020221419	1	36	-1.0	-48.83	317.66	0.17	-48.66
O=S(=O)(C1=COC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221420	0	34	-1.0	-43.48	301.80	1.81	-41.67
O=S(=O)(C1=COC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221420	1	34	-1.0	-43.48	301.87	1.81	-41.67
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020221421	0	31	-2.0	-91.33	312.11	1.32	-90.01
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020221421	1	31	-2.0	-91.30	312.18	1.34	-89.96
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020221422	0	37	-1.0	-38.45	325.42	3.32	-35.13
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020221422	1	37	-1.0	-38.49	325.50	3.34	-35.15
CC1(C)CCCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221423	0	42	-1.0	-41.09	325.78	1.96	-39.13
CC1(C)CCCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221423	1	42	-1.0	-41.10	325.86	1.98	-39.12
O=C(NCCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020221424	0	48	-1.0	-51.66	414.40	1.87	-49.79
O=C(NCCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020221424	1	48	-1.0	-51.70	414.47	1.88	-49.82
CCO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221425	0	41	-1.0	-42.65	333.34	2.22	-40.43
CCO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221425	1	41	-1.0	-42.67	333.42	2.23	-40.44
COC(=O)CCCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221426	0	39	-1.0	-50.14	337.95	1.74	-48.40
COC(=O)CCCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221426	1	39	-1.0	-50.13	338.03	1.75	-48.38
O=[N+]([O-])C1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221427	0	33	-1.0	-40.38	309.60	3.64	-36.74
O=[N+]([O-])C1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221427	1	33	-1.0	-40.39	309.67	3.65	-36.74
O=S(=O)(C1=CN=C2SC=CN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221428	0	31	-1.0	-42.87	294.14	1.28	-41.59
O=S(=O)(C1=CN=C2SC=CN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221428	1	31	-1.0	-42.85	294.07	1.27	-41.58
N#CC1(OCCS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020221429	0	43	-1.0	-50.57	359.76	-0.60	-51.17
N#CC1(OCCS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020221429	1	43	-1.0	-50.52	359.83	-0.58	-51.10
CC(C)(CCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020221430	0	39	-1.0	-40.36	331.81	2.10	-38.26
CC(C)(CCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020221430	1	39	-1.0	-40.32	331.88	2.10	-38.22
CCOC(=O)[C@@H]1CCC[C@@H](CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020221431	0	47	-1.0	-47.17	384.76	2.82	-44.35
CCOC(=O)[C@@H]1CCC[C@@H](CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020221431	1	47	-1.0	-47.20	384.84	2.83	-44.37
O=S(=O)(CC1CCC(F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221432	0	37	-1.0	-46.64	309.33	2.22	-44.42
O=S(=O)(CC1CCC(F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221432	1	37	-1.0	-46.70	309.40	2.23	-44.47
COC(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCOC1	REAL300020221433	0	45	-1.0	-45.17	357.96	0.13	-45.04
COC(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCOC1	REAL300020221433	1	45	-1.0	-45.21	358.03	0.14	-45.07
CC(F)(F)C1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020221434	0	44	-1.0	-42.83	338.41	1.41	-41.42
CC(F)(F)C1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020221434	1	44	-1.0	-42.86	338.48	1.41	-41.45
O=S(=O)(C1=CC2=CC(F)=CC(Cl)=C2OC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221435	0	37	-1.0	-40.89	344.71	2.81	-38.08
O=S(=O)(C1=CC2=CC(F)=CC(Cl)=C2OC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221435	1	37	-1.0	-40.89	344.78	2.82	-38.07
O=S(=O)(C1=C2C=COC2=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221436	0	34	-1.0	-41.74	305.03	1.88	-39.86
O=S(=O)(C1=C2C=COC2=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221436	1	34	-1.0	-41.74	305.11	1.89	-39.85
CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CCC2)=N1	REAL300020221437	0	41	-1.0	-43.41	340.54	1.85	-41.56
CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CCC2)=N1	REAL300020221437	1	41	-1.0	-43.46	340.61	1.86	-41.60
O=S(=O)(NCCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221438	0	39	-1.0	-40.82	336.59	1.69	-39.13
O=S(=O)(NCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221438	1	39	-1.0	-40.84	336.66	1.71	-39.13
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221439	0	49	-1.0	-39.07	379.47	5.29	-33.78
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221439	1	49	-1.0	-39.07	379.53	5.29	-33.78
O=S(=O)(C1=CC=CC(C(F)(F)C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221440	0	37	-1.0	-38.87	347.43	3.53	-35.34
O=S(=O)(C1=CC=CC(C(F)(F)C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221440	1	37	-1.0	-38.91	347.50	3.53	-35.38
O=S(=O)(C1=C(Cl)SC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221441	0	28	-1.0	-40.57	275.36	0.95	-39.62
O=S(=O)(C1=C(Cl)SC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221441	1	28	-1.0	-40.60	275.44	0.96	-39.64
O=S(=O)(C1=CN(CC2CCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221442	0	41	-1.0	-45.31	350.27	2.31	-43.00
O=S(=O)(C1=CN(CC2CCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221442	1	41	-1.0	-45.33	350.20	2.30	-43.03
O=S(=O)(C1=C(C2CC2)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221443	0	35	-1.0	-42.35	315.72	2.79	-39.56
O=S(=O)(C1=C(C2CC2)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221443	1	35	-1.0	-42.36	315.79	2.81	-39.55
CC(C)(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020221444	0	36	-1.0	-38.61	306.12	1.87	-36.74
CC(C)(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020221444	1	36	-1.0	-38.69	306.20	1.89	-36.80
O=S(=O)(C=CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221445	0	35	-1.0	-42.73	308.38	2.87	-39.86
O=S(=O)(C=CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221445	1	35	-1.0	-42.70	308.45	2.88	-39.82
CC1(C)C2CCC1(CS(=O)(=O)N1CCC(C3=N[N-]N=N3)C1)CC2	REAL300020221446	0	47	-1.0	-40.62	353.56	3.79	-36.83
CC1(C)C2CCC1(CS(=O)(=O)N1CCC(C3=NN=N[N-]3)C1)CC2	REAL300020221446	1	47	-1.0	-40.66	353.63	3.80	-36.86
CC1CC(C)CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221447	0	43	-1.0	-42.67	332.99	2.99	-39.68
CC1CC(C)CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221447	1	43	-1.0	-42.65	333.06	3.00	-39.65
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221448	0	36	-1.0	-45.27	303.13	-1.47	-46.74
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221448	1	36	-1.0	-45.27	303.20	-1.47	-46.74
O=S(=O)(C1=CC(Cl)=CC=C1OCC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221449	0	42	-1.0	-40.24	370.26	4.55	-35.69
O=S(=O)(C1=CC(Cl)=CC=C1OCC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221449	1	42	-1.0	-40.24	370.34	4.55	-35.69
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221450	0	44	-1.0	-50.90	365.54	0.05	-50.85
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221450	1	44	-1.0	-50.90	365.61	0.07	-50.83
COC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C2C=C1	REAL300020221451	0	40	-1.0	-57.59	341.21	2.88	-54.71
COC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NC=CC=C2C=C1	REAL300020221451	1	40	-1.0	-57.64	341.14	2.87	-54.77
CC(C)(C)OC(=O)NCCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221452	0	47	-1.0	-50.52	387.51	-0.08	-50.60
CC(C)(C)OC(=O)NCCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221452	1	47	-1.0	-50.57	387.58	-0.07	-50.64
CCCC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221453	0	40	-1.0	-40.88	340.61	3.86	-37.02
CCCC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221453	1	40	-1.0	-40.90	340.68	3.87	-37.03
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221454	0	37	-1.0	-44.31	331.31	0.11	-44.20
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221454	1	37	-1.0	-44.30	331.24	0.10	-44.20
O=S(=O)(CCOCC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221455	0	34	-1.0	-48.97	308.04	-0.29	-49.26
O=S(=O)(CCOCC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221455	1	34	-1.0	-48.97	308.11	-0.27	-49.24
COC(=O)C1=C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020221456	0	37	-1.0	-52.61	339.38	2.23	-50.38
COC(=O)C1=C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020221456	1	37	-1.0	-52.65	339.45	2.24	-50.41
O=S(=O)([C@@H]1C[C@H]1C1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221457	0	38	-1.0	-41.58	348.24	4.42	-37.16
O=S(=O)([C@@H]1C[C@H]1C1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221457	1	38	-1.0	-41.60	348.31	4.42	-37.18
O=S(=O)([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020221458	0	38	-1.0	-46.10	345.50	4.31	-41.79
O=S(=O)([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020221458	1	38	-1.0	-46.07	345.58	4.32	-41.75
CC(=O)CCCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221459	0	38	-1.0	-50.31	327.20	1.62	-48.69
CC(=O)CCCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221459	1	38	-1.0	-50.32	327.27	1.63	-48.69
N#CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221460	0	32	-1.0	-46.33	293.66	1.83	-44.50
N#CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221460	1	32	-1.0	-46.33	293.74	1.83	-44.50
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221461	0	38	-1.0	-42.79	319.70	1.11	-41.68
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221461	1	38	-1.0	-42.78	319.78	1.11	-41.67
O=[N+]([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221462	0	35	-1.0	-39.54	332.42	3.03	-36.51
O=[N+]([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221462	1	35	-1.0	-39.56	332.49	3.04	-36.52
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020221463	0	43	-1.0	-45.03	376.89	4.56	-40.47
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020221463	1	43	-1.0	-45.04	376.96	4.57	-40.47
CC1=CC=CC(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221464	0	37	-1.0	-41.36	298.96	3.07	-38.29
CC1=CC=CC(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221464	1	37	-1.0	-41.36	299.03	3.07	-38.29
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221465	0	40	-1.0	-40.41	325.93	1.42	-38.99
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221465	1	40	-1.0	-40.41	325.86	1.41	-39.00
CC(C)(C)N1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020221466	0	40	-1.0	-43.99	340.56	1.43	-42.56
CC(C)(C)N1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020221466	1	40	-1.0	-43.97	340.48	1.41	-42.56
O=S(=O)(C1=CNN=C1C1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221467	0	38	-1.0	-41.75	316.24	0.46	-41.29
O=S(=O)(C1=CNN=C1C1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221467	1	38	-1.0	-41.74	316.31	0.48	-41.26
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1C(F)(F)F	REAL300020221468	0	36	-1.0	-39.31	327.22	1.48	-37.83
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1C(F)(F)F	REAL300020221468	1	36	-1.0	-39.25	327.15	1.47	-37.78
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020221469	0	42	-1.0	-40.56	350.56	2.47	-38.09
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020221469	1	42	-1.0	-40.55	350.49	2.46	-38.09
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(F)=C1F	REAL300020221470	0	33	-1.0	-38.68	314.99	2.43	-36.25
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(F)=C1F	REAL300020221470	1	33	-1.0	-38.65	315.06	2.45	-36.20
O=S(=O)(C1CCC(C(F)F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221471	0	40	-1.0	-47.19	328.87	2.83	-44.36
O=S(=O)(C1CCC(C(F)F)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221471	1	40	-1.0	-47.21	328.94	2.84	-44.37
N#CC(CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL300020221472	0	42	-1.0	-52.51	348.12	1.04	-51.47
N#CC(CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL300020221472	1	42	-1.0	-52.47	348.19	1.06	-51.41
O=S(=O)(C1CCOC(C(F)(F)F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221473	0	38	-1.0	-49.34	327.40	0.75	-48.59
O=S(=O)(C1CCOC(C(F)(F)F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221473	1	38	-1.0	-49.35	327.47	0.75	-48.60
O=S(=O)(C1=CC(F)=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221474	0	34	-1.0	-38.48	321.68	2.72	-35.76
O=S(=O)(C1=CC(F)=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221474	1	34	-1.0	-38.53	321.76	2.73	-35.80
O=S(=O)(C1=CC=C(CF)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221475	0	34	-1.0	-45.36	303.73	2.47	-42.89
O=S(=O)(C1=CC=C(CF)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221475	1	34	-1.0	-45.30	303.80	2.48	-42.82
O=S(=O)(C1=C(C(F)(F)F)SC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221476	0	31	-1.0	-39.30	300.74	2.03	-37.27
O=S(=O)(C1=C(C(F)(F)F)SC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221476	1	31	-1.0	-39.29	300.81	2.04	-37.25
O=S(=O)(C1=CSC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221477	0	31	-1.0	-41.26	307.97	1.76	-39.50
O=S(=O)(C1=CSC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221477	1	31	-1.0	-41.25	308.05	1.77	-39.48
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CCC(F)(F)CC1	REAL300020221478	0	36	-1.0	-39.12	306.10	0.96	-38.16
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CCC(F)(F)CC1	REAL300020221478	1	36	-1.0	-39.16	306.18	0.96	-38.20
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221479	0	41	-1.0	-48.36	357.64	0.67	-47.69
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221479	1	41	-1.0	-48.36	357.71	0.68	-47.68
O=S(=O)(C1=CC=C(Br)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221480	0	28	-1.0	-42.59	280.58	0.38	-42.21
O=S(=O)(C1=CC=C(Br)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221480	1	28	-1.0	-42.59	280.66	0.39	-42.20
O=S(=O)(C1=CC=C(C(F)(F)F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221481	0	34	-1.0	-39.92	327.87	3.10	-36.82
O=S(=O)(C1=CC=C(C(F)(F)F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221481	1	34	-1.0	-39.93	327.94	3.11	-36.82
CC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020221482	0	37	-1.0	-40.35	303.12	2.69	-37.66
CC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020221482	1	37	-1.0	-40.38	303.19	2.71	-37.67
O=S(=O)(C1=CC=CC=C1C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221483	0	34	-1.0	-46.06	299.80	3.03	-43.03
O=S(=O)(C1=CC=CC=C1C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221483	1	34	-1.0	-46.06	299.87	3.04	-43.02
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221484	0	42	-1.0	-44.58	360.79	3.69	-40.89
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221484	1	42	-1.0	-44.60	360.86	3.69	-40.91
O=S(=O)(C1=CC2=CC=CC=C2CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221485	0	42	-1.0	-40.83	344.73	4.79	-36.04
O=S(=O)(C1=CC2=CC=CC=C2CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221485	1	42	-1.0	-40.90	344.81	4.80	-36.10
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020221486	0	41	-1.0	-50.86	356.20	3.37	-47.49
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020221486	1	41	-1.0	-50.84	356.27	3.39	-47.45
O=S(=O)(C1=CC2=CC(Cl)=CC=C2OC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221487	0	37	-1.0	-41.71	338.91	2.71	-39.00
O=S(=O)(C1=CC2=CC(Cl)=CC=C2OC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221487	1	37	-1.0	-41.77	338.98	2.72	-39.05
COC[C@]1(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C[C@@H]1C	REAL300020221488	0	38	-1.0	-40.10	317.47	0.85	-39.25
COC[C@]1(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C[C@@H]1C	REAL300020221488	1	38	-1.0	-40.13	317.54	0.85	-39.28
O=S(=O)(N1CC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221489	0	37	-1.0	-41.61	318.90	2.12	-39.49
O=S(=O)(N1CC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221489	1	37	-1.0	-41.65	318.97	2.13	-39.52
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221490	0	36	-1.0	-44.23	330.18	2.22	-42.01
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221490	1	36	-1.0	-44.24	330.25	2.22	-42.02
CC(=O)OCC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221491	0	40	-1.0	-47.19	354.15	3.30	-43.89
CC(=O)OCC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221491	1	40	-1.0	-47.19	354.22	3.32	-43.87
O=S(=O)(CC1=NOC2=C1COCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221492	0	38	-1.0	-46.73	329.57	0.04	-46.69
O=S(=O)(CC1=NOC2=C1COCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221492	1	38	-1.0	-46.72	329.64	0.04	-46.68
N#CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020221493	0	31	-1.0	-43.59	292.18	0.23	-43.36
N#CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020221493	1	31	-1.0	-43.55	292.11	0.22	-43.33
O=S(=O)(C1=CC=C(Cl)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221494	0	29	-1.0	-46.10	283.81	-0.84	-46.94
O=S(=O)(C1=CC=C(Cl)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221494	1	29	-1.0	-46.05	283.74	-0.85	-46.90
CN1N=C2C=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C2=N1	REAL300020221495	0	36	-1.0	-46.72	317.53	0.10	-46.62
CN1N=C2C=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C2=N1	REAL300020221495	1	36	-1.0	-46.72	317.45	0.10	-46.62
CC1CCCC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221496	0	43	-1.0	-46.36	332.15	3.17	-43.19
CC1CCCC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221496	1	43	-1.0	-46.37	332.23	3.18	-43.19
O=S(=O)(CC1C2CC3CC(C2)CC1C3)N1CCC(C2=N[N-]N=N2)C1	REAL300020221497	0	48	-1.0	-46.34	352.31	4.30	-42.04
O=S(=O)(CC1C2CC3CC(C2)CC1C3)N1CCC(C2=NN=N[N-]2)C1	REAL300020221497	1	48	-1.0	-46.31	352.38	4.31	-42.00
N#CC1(OCCS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020221498	0	39	-1.0	-42.25	340.44	0.85	-41.40
N#CC1(OCCS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020221498	1	39	-1.0	-42.25	340.52	0.86	-41.39
CCOC(=O)C(C)(C)CCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221499	0	45	-1.0	-52.10	371.76	2.80	-49.30
CCOC(=O)C(C)(C)CCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221499	1	45	-1.0	-52.05	371.83	2.81	-49.24
O=S(=O)(CCC1CCCOC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221500	0	41	-1.0	-47.44	332.76	0.97	-46.47
O=S(=O)(CCC1CCCOC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221500	1	41	-1.0	-47.46	332.84	0.99	-46.47
CC(CC(F)F)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221501	0	36	-1.0	-42.40	307.89	1.78	-40.62
CC(CC(F)F)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221501	1	36	-1.0	-42.41	307.96	1.78	-40.63
CN1C=C(Br)C(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020221502	0	34	-1.0	-51.51	323.15	0.67	-50.84
CN1C=C(Br)C(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020221502	1	34	-1.0	-51.53	323.22	0.68	-50.85
CC1(C)CCOC1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221503	0	41	-1.0	-43.95	329.52	0.97	-42.98
CC1(C)CCOC1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221503	1	41	-1.0	-43.96	329.59	0.99	-42.97
O=S(=O)(CC(F)(F)CC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221504	0	37	-1.0	-46.80	323.99	2.69	-44.11
O=S(=O)(CC(F)(F)CC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221504	1	37	-1.0	-46.80	324.06	2.69	-44.11
COC(=O)C1=NOC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221505	0	36	-1.0	-48.88	332.38	0.54	-48.34
COC(=O)C1=NOC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221505	1	36	-1.0	-48.85	332.46	0.55	-48.30
O=S(=O)(C1=CC(Br)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221506	0	31	-1.0	-39.85	304.63	2.63	-37.22
O=S(=O)(C1=CC(Br)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221506	1	31	-1.0	-39.90	304.71	2.64	-37.26
O=C1CCC(=O)N1C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020221507	0	40	-1.0	-51.94	350.17	1.66	-50.28
O=C1CCC(=O)N1C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020221507	1	40	-1.0	-52.00	350.10	1.65	-50.35
O=S(=O)(C1=CSC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221508	0	31	-1.0	-41.00	298.94	1.95	-39.05
O=S(=O)(C1=CSC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221508	1	31	-1.0	-40.98	299.01	1.96	-39.02
O=S(=O)(C1=CC=CC(C2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221509	0	38	-1.0	-40.55	325.18	3.78	-36.77
O=S(=O)(C1=CC=CC(C2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221509	1	38	-1.0	-40.61	325.26	3.80	-36.81
COC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020221510	0	32	-1.0	-40.83	295.37	0.17	-40.66
COC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020221510	1	32	-1.0	-40.85	295.44	0.18	-40.67
O=S(=O)(C1=CC(F)=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221511	0	34	-1.0	-40.90	311.09	3.22	-37.68
O=S(=O)(C1=CC(F)=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221511	1	34	-1.0	-40.85	311.16	3.23	-37.62
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221512	0	37	-1.0	-41.98	341.19	1.98	-40.00
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221512	1	37	-1.0	-42.00	341.26	1.98	-40.02
O=S(=O)(C1=CC=C(C2CC2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221513	0	38	-1.0	-44.38	327.04	3.70	-40.68
O=S(=O)(C1=CC=C(C2CC2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221513	1	38	-1.0	-44.37	327.12	3.70	-40.67
O=S(=O)(C1=CC=NN1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221514	0	41	-1.0	-40.03	340.80	2.32	-37.71
O=S(=O)(C1=CC=NN1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221514	1	41	-1.0	-40.01	340.72	2.31	-37.70
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221515	0	40	-1.0	-39.75	335.98	1.60	-38.15
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221515	1	40	-1.0	-39.78	335.91	1.59	-38.19
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221516	0	40	-1.0	-47.57	347.69	-0.81	-48.38
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221516	1	40	-1.0	-47.65	347.76	-0.80	-48.45
CS(=O)(=O)C1=CSC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221517	0	34	-1.0	-46.12	330.16	-1.86	-47.98
CS(=O)(=O)C1=CSC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221517	1	34	-1.0	-46.14	330.24	-1.85	-47.99
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221518	0	40	-1.0	-47.57	347.69	-0.81	-48.38
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221518	1	40	-1.0	-47.65	347.76	-0.80	-48.45
O=S(=O)(C=CC1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221519	0	32	-1.0	-43.04	300.34	2.03	-41.01
O=S(=O)(C=CC1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221519	1	32	-1.0	-43.04	300.42	2.03	-41.01
O=S(=O)(C1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221520	0	34	-1.0	-41.60	304.73	3.15	-38.45
O=S(=O)(C1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221520	1	34	-1.0	-41.62	304.80	3.15	-38.47
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221521	0	43	-1.0	-49.02	369.15	5.77	-43.25
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221521	1	43	-1.0	-49.02	369.22	5.78	-43.24
CN(C1CCCCCC1)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221522	0	45	-1.0	-43.22	344.68	2.62	-40.60
CN(C1CCCCCC1)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221522	1	45	-1.0	-43.25	344.75	2.63	-40.62
O=S(=O)(C1=CC=C(C(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221523	0	31	-1.0	-38.36	299.83	0.92	-37.44
O=S(=O)(C1=CC=C(C(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221523	1	31	-1.0	-38.35	299.90	0.93	-37.42
N#CC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020221524	0	31	-1.0	-43.27	292.85	0.11	-43.16
N#CC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020221524	1	31	-1.0	-43.27	292.77	0.10	-43.17
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221525	0	35	-1.0	-40.78	312.54	1.68	-39.10
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221525	1	35	-1.0	-40.77	312.61	1.69	-39.08
CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CCOCC2)=N1	REAL300020221526	0	45	-1.0	-43.34	367.51	0.65	-42.69
CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CCOCC2)=N1	REAL300020221526	1	45	-1.0	-43.40	367.58	0.66	-42.74
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221527	0	37	-1.0	-41.00	329.42	3.18	-37.82
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221527	1	37	-1.0	-40.98	329.50	3.19	-37.79
O=S(=O)(C1=CC=CC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221528	0	35	-1.0	-42.59	315.46	1.23	-41.36
O=S(=O)(C1=CC=CC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221528	1	35	-1.0	-42.61	315.53	1.24	-41.37
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CCC(C2=CC=CC=C2)CC1	REAL300020221529	0	46	-1.0	-44.20	371.67	4.32	-39.88
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CCC(C2=CC=CC=C2)CC1	REAL300020221529	1	46	-1.0	-44.21	371.74	4.32	-39.89
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020221530	0	32	-1.0	-40.07	299.75	0.14	-39.93
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020221530	1	32	-1.0	-40.12	299.82	0.16	-39.96
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NC=CC=C12	REAL300020221531	0	42	-1.0	-46.88	342.79	3.77	-43.11
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020221531	1	42	-1.0	-46.88	342.86	3.77	-43.11
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CCC(C(F)(F)F)CC1	REAL300020221532	0	39	-1.0	-44.59	331.69	1.77	-42.82
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CCC(C(F)(F)F)CC1	REAL300020221532	1	39	-1.0	-44.58	331.76	1.77	-42.81
O=S(=O)(C1=CN(CCF)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221533	0	34	-1.0	-43.71	308.72	0.41	-43.30
O=S(=O)(C1=CN(CCF)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221533	1	34	-1.0	-43.70	308.65	0.40	-43.30
CCOCC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221534	0	41	-1.0	-42.57	353.14	2.34	-40.23
CCOCC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221534	1	41	-1.0	-42.55	353.22	2.35	-40.20
O=S(=O)(CC(F)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221535	0	37	-1.0	-43.59	324.90	3.27	-40.32
O=S(=O)(CC(F)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221535	1	37	-1.0	-43.61	324.97	3.29	-40.32
CC1(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CS(=O)(=O)C1	REAL300020221536	0	37	-1.0	-47.07	316.69	-1.85	-48.92
CC1(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CS(=O)(=O)C1	REAL300020221536	1	37	-1.0	-47.10	316.77	-1.84	-48.94
O=S(=O)(C1=CC=C2CCNC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221537	0	37	-1.0	-42.78	315.92	0.88	-41.90
O=S(=O)(C1=CC=C2CCNC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221537	1	37	-1.0	-42.83	315.99	0.89	-41.94
CC(C)(C)OC(=O)C1CCCCN1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221538	0	51	-1.0	-44.25	385.33	4.16	-40.09
CC(C)(C)OC(=O)C1CCCCN1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221538	1	51	-1.0	-44.28	385.40	4.16	-40.12
N#CC1(OCCS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020221539	0	45	-1.0	-42.33	368.72	1.74	-40.59
N#CC1(OCCS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020221539	1	45	-1.0	-42.33	368.79	1.74	-40.59
COC(=O)C1CN(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCO1	REAL300020221540	0	39	-1.0	-45.84	314.53	2.02	-43.82
COC(=O)C1CN(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCO1	REAL300020221540	1	39	-1.0	-45.83	314.60	2.04	-43.79
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020221541	0	40	-1.0	-45.86	360.69	0.60	-45.26
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020221541	1	40	-1.0	-45.88	360.77	0.60	-45.28
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020221541	1	39	-2.0	-88.14	357.14	-0.48	-88.62
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020221541	1	39	-2.0	-88.16	357.21	-0.46	-88.62
O=S(=O)(C1=CN=C2C=CC=NN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221542	0	33	-1.0	-49.93	300.19	0.31	-49.62
O=S(=O)(C1=CN=C2C=CC=NN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221542	1	33	-1.0	-49.92	300.12	0.29	-49.63
O=S(=O)(CC1CCCC(C2CC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221543	0	45	-1.0	-41.16	356.57	2.83	-38.33
O=S(=O)(CC1CCCC(C2CC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221543	1	45	-1.0	-41.21	356.64	2.83	-38.38
O=S(=O)(CC1=CC(Br)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221544	0	30	-1.0	-46.81	297.00	0.44	-46.37
O=S(=O)(CC1=CC(Br)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221544	1	30	-1.0	-46.90	297.07	0.45	-46.45
CCC(CC(F)(F)F)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221545	0	39	-1.0	-40.63	324.64	2.35	-38.28
CCC(CC(F)(F)F)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221545	1	39	-1.0	-40.58	324.71	2.35	-38.23
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C)=N1	REAL300020221546	0	36	-1.0	-40.71	314.37	1.15	-39.56
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C)=N1	REAL300020221546	1	36	-1.0	-40.76	314.44	1.17	-39.59
O=S(=O)(CCCN1C=NN=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221547	0	35	-1.0	-57.41	312.92	0.34	-57.07
O=S(=O)(CCCN1C=NN=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221547	1	35	-1.0	-57.41	312.84	0.32	-57.09
O=S(=O)(C1=C2C=CC=NN2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221548	0	33	-1.0	-44.07	297.06	-0.49	-44.56
O=S(=O)(C1=C2C=CC=NN2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221548	1	33	-1.0	-44.08	296.98	-0.49	-44.57
CC(C)(C)OC(=O)N[C@H]1C[C@@H](S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221549	0	48	-1.0	-46.36	392.43	0.55	-45.81
CC(C)(C)OC(=O)N[C@H]1C[C@@H](S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221549	1	48	-1.0	-46.40	392.50	0.56	-45.84
O=S(=O)(CCC12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221550	0	51	-1.0	-46.10	378.01	4.85	-41.25
O=S(=O)(CCC12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221550	1	51	-1.0	-46.14	378.08	4.87	-41.27
N#CC(OCCS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020221551	0	39	-1.0	-47.58	347.24	1.37	-46.21
N#CC(OCCS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020221551	1	39	-1.0	-47.58	347.31	1.39	-46.19
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221552	0	41	-1.0	-42.54	354.69	2.96	-39.58
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221552	1	41	-1.0	-42.50	354.62	2.94	-39.56
O=S(=O)(C1=CN(C2CCCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221553	0	44	-1.0	-44.21	362.68	2.63	-41.58
O=S(=O)(C1=CN(C2CCCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221553	1	44	-1.0	-44.17	362.61	2.62	-41.55
O=S(=O)(C1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221554	0	42	-1.0	-44.24	364.42	4.50	-39.74
O=S(=O)(C1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221554	1	42	-1.0	-44.27	364.49	4.52	-39.75
O=S(=O)(C1=CC=CC=C1CF)N1CCC(C2=N[N-]N=N2)C1	REAL300020221555	0	34	-1.0	-42.15	298.72	2.78	-39.37
O=S(=O)(C1=CC=CC=C1CF)N1CCC(C2=NN=N[N-]2)C1	REAL300020221555	1	34	-1.0	-42.17	298.79	2.78	-39.39
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221556	0	43	-1.0	-47.86	365.38	4.58	-43.28
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221556	1	43	-1.0	-47.90	365.46	4.59	-43.31
O=S(=O)(C[C@@H]1CCC[C@H]1CF)N1CCC(C2=N[N-]N=N2)C1	REAL300020221557	0	40	-1.0	-46.88	329.88	2.81	-44.07
O=S(=O)(C[C@@H]1CCC[C@H]1CF)N1CCC(C2=NN=N[N-]2)C1	REAL300020221557	1	40	-1.0	-46.87	329.95	2.82	-44.05
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C)=C1Br	REAL300020221558	0	37	-1.0	-39.37	333.67	3.43	-35.94
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1Br	REAL300020221558	1	37	-1.0	-39.39	333.74	3.45	-35.94
COC(=O)C1CCN(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221559	0	41	-1.0	-47.96	322.26	3.57	-44.39
COC(=O)C1CCN(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221559	1	41	-1.0	-47.96	322.34	3.57	-44.39
CCN1N=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020221560	0	34	-1.0	-41.14	312.58	0.42	-40.72
CCN1N=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020221560	1	34	-1.0	-41.17	312.51	0.41	-40.76
O=S(=O)(C=CC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020221561	0	35	-1.0	-42.43	326.63	3.39	-39.04
O=S(=O)(C=CC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020221561	1	35	-1.0	-42.47	326.71	3.39	-39.08
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020221562	0	37	-1.0	-41.88	361.30	2.88	-39.00
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020221562	1	37	-1.0	-41.90	361.37	2.88	-39.02
O=S(=O)(C1=C(F)C=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221563	0	31	-1.0	-39.51	305.80	2.60	-36.91
O=S(=O)(C1=C(F)C=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221563	1	31	-1.0	-39.49	305.87	2.62	-36.87
O=S(=O)(C1=CC=C(C(F)(F)F)N=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221564	0	33	-1.0	-46.76	312.71	0.73	-46.03
O=S(=O)(C1=CC=C(C(F)(F)F)N=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221564	1	33	-1.0	-46.71	312.64	0.72	-45.99
O=S(=O)(C1=C(F)C=CC2=CN=C(Cl)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221565	0	36	-1.0	-50.55	331.14	2.81	-47.74
O=S(=O)(C1=C(F)C=CC2=CN=C(Cl)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221565	1	36	-1.0	-50.55	331.07	2.81	-47.74
O=S(=O)(C1=CC=C(Cl)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221566	0	28	-1.0	-42.54	275.95	0.27	-42.27
O=S(=O)(C1=CC=C(Cl)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221566	1	28	-1.0	-42.55	276.02	0.27	-42.28
O=S(=O)(C1=CC=CC2=CN=C(Cl)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221567	0	36	-1.0	-50.04	323.85	2.38	-47.66
O=S(=O)(C1=CC=CC2=CN=C(Cl)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221567	1	36	-1.0	-50.04	323.77	2.37	-47.67
O=S(=O)(C1=CC=C(C(F)(F)F)N=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221568	0	33	-1.0	-46.76	312.71	0.73	-46.03
O=S(=O)(C1=CC=C(C(F)(F)F)N=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221568	1	33	-1.0	-46.71	312.64	0.72	-45.99
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020221569	0	40	-1.0	-44.35	329.45	4.22	-40.13
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020221569	1	40	-1.0	-44.37	329.52	4.24	-40.13
O=S(=O)(C1=CC=C(OCCF)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221570	0	38	-1.0	-46.22	333.67	2.03	-44.19
O=S(=O)(C1=CC=C(OCCF)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221570	1	38	-1.0	-46.18	333.74	2.04	-44.14
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020221571	0	45	-1.0	-42.90	380.09	3.17	-39.73
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020221571	1	45	-1.0	-42.93	380.16	3.18	-39.75
O=S(=O)(C1=CC=C(F)C(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221572	0	31	-1.0	-38.80	299.46	2.14	-36.66
O=S(=O)(C1=CC=C(F)C(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221572	1	31	-1.0	-38.82	299.53	2.14	-36.68
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020221573	0	37	-1.0	-52.61	338.83	-2.14	-54.75
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020221573	1	37	-1.0	-52.64	338.90	-2.12	-54.76
CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=N1	REAL300020221574	0	41	-1.0	-43.61	348.71	2.83	-40.78
CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=N1	REAL300020221574	1	41	-1.0	-43.56	348.64	2.82	-40.74
O=C(NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1)C(F)(F)F	REAL300020221575	0	37	-1.0	-43.41	347.48	-0.89	-44.30
O=C(NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1)C(F)(F)F	REAL300020221575	1	37	-1.0	-43.40	347.40	-0.91	-44.31
O=S(=O)(C=CC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221576	0	35	-1.0	-42.59	314.78	2.94	-39.65
O=S(=O)(C=CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221576	1	35	-1.0	-42.61	314.86	2.95	-39.66
O=S(=O)(C=CC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221577	0	35	-1.0	-44.18	328.93	3.47	-40.71
O=S(=O)(C=CC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221577	1	35	-1.0	-44.24	329.00	3.48	-40.76
O=S(=O)(C=CC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221578	0	35	-1.0	-42.07	329.67	3.50	-38.57
O=S(=O)(C=CC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221578	1	35	-1.0	-42.09	329.74	3.50	-38.59
O=S(=O)(C1=CC=C(C2CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221579	0	35	-1.0	-40.34	320.02	3.00	-37.34
O=S(=O)(C1=CC=C(C2CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221579	1	35	-1.0	-40.35	320.09	3.00	-37.35
COC(=O)C1CCCCN1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221580	0	42	-1.0	-41.10	336.09	2.24	-38.86
COC(=O)C1CCCCN1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221580	1	42	-1.0	-41.13	336.16	2.24	-38.89
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020221581	0	53	-1.0	-42.22	405.97	5.84	-36.38
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020221581	1	53	-1.0	-42.19	406.04	5.85	-36.34
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020221582	0	34	-1.0	-48.33	321.68	2.46	-45.87
N#CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020221582	1	34	-1.0	-48.32	321.75	2.47	-45.85
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221583	0	42	-1.0	-45.41	353.36	2.76	-42.65
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221583	1	42	-1.0	-45.43	353.43	2.78	-42.65
O=S(=O)(CC1=CSC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221584	0	30	-1.0	-43.33	284.32	-0.60	-43.93
O=S(=O)(CC1=CSC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221584	1	30	-1.0	-43.32	284.40	-0.58	-43.90
CC1CCC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020221585	0	38	-1.0	-43.33	317.08	0.67	-42.66
CC1CCC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020221585	1	38	-1.0	-43.40	317.16	0.68	-42.72
O=S(=O)(NCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221586	0	36	-1.0	-38.42	332.06	1.41	-37.01
O=S(=O)(NCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221586	1	36	-1.0	-38.38	332.13	1.42	-36.96
O=S(=O)(NCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221587	0	36	-1.0	-38.67	321.74	0.96	-37.71
O=S(=O)(NCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221587	1	36	-1.0	-38.71	321.81	0.97	-37.74
CC1=CC=C(CNS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221588	0	39	-1.0	-39.73	336.74	1.57	-38.16
CC1=CC=C(CNS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221588	1	39	-1.0	-39.74	336.81	1.57	-38.17
CCOC(=O)C(C)(C)CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221589	0	42	-1.0	-42.14	347.06	2.52	-39.62
CCOC(=O)C(C)(C)CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221589	1	42	-1.0	-42.20	347.13	2.53	-39.67
O=S(=O)(C1=C(Br)C=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221590	0	27	-1.0	-38.00	283.72	-0.02	-38.02
O=S(=O)(C1=C(Br)C=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221590	1	27	-1.0	-38.02	283.64	-0.03	-38.05
COC1CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221591	0	38	-1.0	-50.01	321.12	0.44	-49.57
COC1CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221591	1	38	-1.0	-50.05	321.20	0.45	-49.60
O=S(=O)(C1CCC2CCC1OC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020221592	0	42	-1.0	-42.41	304.27	1.43	-40.98
O=S(=O)(C1CCC2CCC1OC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020221592	1	42	-1.0	-42.42	304.34	1.45	-40.97
O=S(=O)(NCC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221593	0	36	-1.0	-38.38	336.63	1.52	-36.86
O=S(=O)(NCC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221593	1	36	-1.0	-38.41	336.70	1.52	-36.89
COC(=O)C=CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221594	0	41	-1.0	-46.78	362.41	3.56	-43.22
COC(=O)C=CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221594	1	41	-1.0	-46.79	362.48	3.57	-43.22
CC1=CC=CC(CNS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221595	0	39	-1.0	-41.95	336.96	1.58	-40.37
CC1=CC=CC(CNS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221595	1	39	-1.0	-41.97	337.03	1.59	-40.38
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1	REAL300020221596	0	37	-1.0	-43.47	336.41	-0.51	-43.98
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020221596	1	37	-1.0	-43.50	336.49	-0.51	-44.01
COC1=CSC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020221597	0	36	-1.0	-43.32	325.83	0.44	-42.88
COC1=CSC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020221597	1	36	-1.0	-43.33	325.90	0.45	-42.88
O=S(=O)(CC1CC2(CCCC2)CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221598	0	45	-1.0	-46.82	357.42	2.02	-44.80
O=S(=O)(CC1CC2(CCCC2)CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221598	1	45	-1.0	-46.79	357.50	2.03	-44.76
O=S(=O)(CC1CC1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221599	0	44	-1.0	-45.10	372.25	5.35	-39.75
O=S(=O)(CC1CC1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221599	1	44	-1.0	-45.13	372.33	5.35	-39.78
O=S(=O)(C1=CN=C(C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221600	0	37	-1.0	-43.97	334.91	0.21	-43.76
O=S(=O)(C1=CN=C(C2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221600	1	37	-1.0	-43.96	334.84	0.21	-43.75
C[C@@H](CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OCC1=CC=CC=C1	REAL300020221601	0	48	-1.0	-53.25	411.73	2.44	-50.81
C[C@@H](CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OCC1=CC=CC=C1	REAL300020221601	1	48	-1.0	-53.27	411.80	2.45	-50.82
C[C@@H]1CCO[C@@H]1CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221602	0	38	-1.0	-41.64	312.12	0.26	-41.38
C[C@@H]1CCO[C@@H]1CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221602	1	38	-1.0	-41.65	312.19	0.26	-41.39
O=S(=O)(C1CC2C(C1)C2(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221603	0	35	-1.0	-43.23	301.12	2.17	-41.06
O=S(=O)(C1CC2C(C1)C2(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221603	1	35	-1.0	-43.25	301.19	2.18	-41.07
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1C[C@@H]2CCCC[C@@H]2C1	REAL300020221604	0	43	-1.0	-43.61	335.81	2.14	-41.47
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1C[C@@H]2CCCC[C@@H]2C1	REAL300020221604	1	43	-1.0	-43.61	335.88	2.15	-41.46
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221605	0	42	-1.0	-43.09	357.22	3.53	-39.56
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221605	1	42	-1.0	-43.13	357.30	3.53	-39.60
O=S(=O)(C1=CC=CC(Cl)=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221606	0	35	-1.0	-44.22	323.99	2.52	-41.70
O=S(=O)(C1=CC=CC(Cl)=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221606	1	35	-1.0	-44.25	324.07	2.53	-41.72
COC1=CC(F)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020221607	0	35	-1.0	-42.48	313.98	1.28	-41.20
COC1=CC(F)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020221607	1	35	-1.0	-42.51	314.06	1.29	-41.22
O=S(=O)(F)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221608	0	34	-1.0	-46.95	321.11	-1.12	-48.07
O=S(=O)(F)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221608	1	34	-1.0	-47.02	321.18	-1.10	-48.12
O=S(=O)(C1=CC=C(F)C(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221609	0	35	-1.0	-45.43	321.70	1.30	-44.13
O=S(=O)(C1=CC=C(F)C(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221609	1	35	-1.0	-45.46	321.77	1.30	-44.16
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221610	0	37	-1.0	-43.78	319.84	1.59	-42.19
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221610	1	37	-1.0	-43.80	319.77	1.58	-42.22
CN1C=CC2=CC(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020221611	0	38	-1.0	-45.30	329.68	3.47	-41.83
CN1C=CC2=CC(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020221611	1	38	-1.0	-45.28	329.75	3.48	-41.80
O=S(=O)(C1=CC=CC(F)=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221612	0	34	-1.0	-42.27	308.58	3.12	-39.15
O=S(=O)(C1=CC=CC(F)=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221612	1	34	-1.0	-42.25	308.66	3.14	-39.11
O=S(=O)(C1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221613	0	40	-1.0	-40.88	354.85	2.18	-38.70
O=S(=O)(C1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221613	1	40	-1.0	-40.85	354.92	2.19	-38.66
O=S(=O)(C1=CC(Cl)=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221614	0	28	-1.0	-37.58	301.27	1.77	-35.81
O=S(=O)(C1=CC(Cl)=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221614	1	28	-1.0	-37.59	301.34	1.77	-35.82
CN1N=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020221615	0	31	-1.0	-41.13	290.80	-0.45	-41.58
CN1N=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020221615	1	31	-1.0	-41.14	290.73	-0.46	-41.60
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221616	0	44	-1.0	-42.56	369.46	4.11	-38.45
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221616	1	44	-1.0	-42.57	369.54	4.13	-38.44
CC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300020221617	0	48	-1.0	-43.33	394.63	3.55	-39.78
CC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300020221617	1	48	-1.0	-43.33	394.71	3.55	-39.78
O=S(=O)(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221618	0	34	-1.0	-39.31	332.32	3.13	-36.18
O=S(=O)(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221618	1	34	-1.0	-39.29	332.25	3.11	-36.18
O=C(C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C(F)F	REAL300020221619	0	36	-1.0	-45.66	327.19	2.30	-43.36
O=C(C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)F	REAL300020221619	1	36	-1.0	-45.64	327.27	2.31	-43.33
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221620	0	39	-1.0	-44.55	332.66	1.14	-43.41
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221620	1	39	-1.0	-44.54	332.73	1.16	-43.38
O=S(=O)(C1=CC=CC(OC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221621	0	42	-1.0	-43.25	364.68	4.54	-38.71
O=S(=O)(C1=CC=CC(OC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221621	1	42	-1.0	-43.24	364.75	4.55	-38.69
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221622	0	37	-1.0	-47.82	315.28	3.42	-44.40
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221622	1	37	-1.0	-47.87	315.36	3.43	-44.44
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221623	0	34	-1.0	-50.64	308.49	-0.77	-51.41
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221623	1	34	-1.0	-50.69	308.56	-0.77	-51.46
O=C1NC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1(F)F	REAL300020221624	0	36	-1.0	-41.42	331.07	0.23	-41.19
O=C1NC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1(F)F	REAL300020221624	1	36	-1.0	-41.40	331.14	0.24	-41.16
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)NC(=O)N1	REAL300020221625	0	34	-1.0	-54.67	296.98	-2.42	-57.09
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)NC(=O)N1	REAL300020221625	1	34	-1.0	-54.68	297.05	-2.42	-57.10
COC[C@@H](CS(=O)(=O)N1CCC(C2=N[N-]N=N2)C1)OC	REAL300020221626	0	38	-1.0	-45.12	325.05	-1.35	-46.47
COC[C@@H](CS(=O)(=O)N1CCC(C2=NN=N[N-]2)C1)OC	REAL300020221626	1	38	-1.0	-45.10	325.12	-1.34	-46.44
O=S(=O)(C1=CC=C(Cl)C2=NSN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221627	0	32	-1.0	-42.06	314.52	0.59	-41.47
O=S(=O)(C1=CC=C(Cl)C2=NSN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221627	1	32	-1.0	-42.06	314.44	0.59	-41.47
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221628	0	33	-1.0	-40.69	296.25	0.79	-39.90
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221628	1	33	-1.0	-40.74	296.33	0.79	-39.95
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221629	0	42	-1.0	-41.66	359.54	3.26	-38.40
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221629	1	42	-1.0	-41.67	359.61	3.27	-38.40
CCN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CC2)=N1	REAL300020221630	0	41	-1.0	-43.08	346.72	2.24	-40.84
CCN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CC2)=N1	REAL300020221630	1	41	-1.0	-43.08	346.79	2.25	-40.83
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NSN=C2C=C1	REAL300020221631	0	35	-1.0	-49.28	309.04	0.81	-48.47
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NSN=C2C=C1	REAL300020221631	1	35	-1.0	-49.27	309.11	0.82	-48.45
O=S(=O)(C1=CC2=CC=C(Cl)C=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221632	0	37	-1.0	-41.64	338.85	4.43	-37.21
O=S(=O)(C1=CC2=CC=C(Cl)C=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221632	1	37	-1.0	-41.67	338.92	4.44	-37.23
CC(=O)OC1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221633	0	39	-1.0	-46.75	335.51	0.86	-45.89
CC(=O)OC1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221633	1	39	-1.0	-46.78	335.59	0.87	-45.91
O=S(=O)(C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221634	0	41	-1.0	-40.50	366.89	5.62	-34.88
O=S(=O)(C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221634	1	41	-1.0	-40.51	366.96	5.64	-34.87
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Cl)S1	REAL300020221635	0	34	-1.0	-42.58	326.07	2.23	-40.35
COC(=O)C1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Cl)S1	REAL300020221635	1	34	-1.0	-42.57	326.15	2.25	-40.32
CC(C)(C)OC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020221636	0	43	-1.0	-39.98	357.22	1.96	-38.02
CC(C)(C)OC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020221636	1	43	-1.0	-39.98	357.15	1.94	-38.04
NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020221637	0	33	-1.0	-40.32	309.76	0.24	-40.08
NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020221637	1	33	-1.0	-40.35	309.83	0.25	-40.10
CCC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020221638	0	37	-1.0	-39.60	335.31	3.53	-36.07
CCC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020221638	1	37	-1.0	-39.59	335.38	3.53	-36.06
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221639	0	44	-1.0	-40.60	362.68	2.88	-37.72
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221639	1	44	-1.0	-40.62	362.75	2.90	-37.72
O=S(=O)(C1=C(Cl)OC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221640	0	28	-1.0	-41.57	269.99	-0.01	-41.58
O=S(=O)(C1=C(Cl)OC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221640	1	28	-1.0	-41.59	270.06	-0.01	-41.60
O=S(=O)(C1=CC(Cl)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221641	0	28	-1.0	-38.61	285.02	1.16	-37.45
O=S(=O)(C1=CC(Cl)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221641	1	28	-1.0	-38.65	285.10	1.16	-37.49
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221642	0	45	-1.0	-44.38	376.26	2.04	-42.34
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221642	1	45	-1.0	-44.36	376.33	2.04	-42.32
O=S(=O)(C1=CC2=CC=CC=C2C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221643	0	37	-1.0	-44.42	328.73	4.24	-40.18
O=S(=O)(C1=CC2=CC=CC=C2C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221643	1	37	-1.0	-44.42	328.81	4.24	-40.18
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221644	0	39	-1.0	-41.25	327.87	-0.57	-41.82
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221644	1	39	-1.0	-41.29	327.94	-0.56	-41.85
O=S(=O)(C1=CC=CC=C1C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221645	0	38	-1.0	-41.37	313.89	3.48	-37.89
O=S(=O)(C1=CC=CC=C1C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221645	1	38	-1.0	-41.37	313.97	3.49	-37.88
CC1(C)CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221646	0	42	-1.0	-39.70	329.11	1.71	-37.99
CC1(C)CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221646	1	42	-1.0	-39.72	329.18	1.71	-38.01
CC(=O)OCC1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221647	0	45	-1.0	-48.01	371.37	2.43	-45.58
CC(=O)OCC1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221647	1	45	-1.0	-47.96	371.44	2.44	-45.52
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221648	0	45	-1.0	-48.87	387.70	2.08	-46.79
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221648	1	45	-1.0	-48.88	387.77	2.08	-46.80
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CCN(CC(F)F)CC1	REAL300020221649	0	41	-1.0	-39.86	340.23	-0.50	-40.36
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CCN(CC(F)F)CC1	REAL300020221649	1	41	-1.0	-39.87	340.30	-0.50	-40.37
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020221650	0	37	-1.0	-41.18	311.29	-1.16	-42.34
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020221650	1	37	-1.0	-41.17	311.36	-1.15	-42.32
COC1=NC=C(C)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221651	0	37	-1.0	-42.44	319.19	-0.40	-42.84
COC1=NC=C(C)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221651	1	37	-1.0	-42.48	319.11	-0.42	-42.90
O=S(=O)(C1=CC=C(OC2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221652	0	46	-1.0	-45.35	377.62	2.04	-43.31
O=S(=O)(C1=CC=C(OC2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221652	1	46	-1.0	-45.35	377.70	2.05	-43.30
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221653	0	34	-1.0	-40.15	314.49	-0.56	-40.71
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221653	1	34	-1.0	-40.20	314.42	-0.58	-40.78
COC1=NC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020221654	0	37	-1.0	-40.76	323.60	-0.92	-41.68
COC1=NC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020221654	1	37	-1.0	-40.72	323.53	-0.93	-41.65
CC(C)CN1C=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020221655	0	40	-1.0	-41.76	343.67	1.77	-39.99
CC(C)CN1C=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020221655	1	40	-1.0	-41.76	343.60	1.77	-39.99
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221656	0	40	-1.0	-43.63	335.60	1.25	-42.38
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221656	1	40	-1.0	-43.64	335.67	1.26	-42.38
O=S(=O)(C1=CSC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221657	0	30	-1.0	-39.55	303.38	-0.30	-39.85
O=S(=O)(C1=CSC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221657	1	30	-1.0	-39.52	303.31	-0.32	-39.84
COCC1=CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020221658	0	37	-1.0	-48.12	330.88	-0.44	-48.56
COCC1=CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020221658	1	37	-1.0	-48.13	330.96	-0.43	-48.56
N#CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020221659	0	29	-1.0	-41.63	285.45	1.06	-40.57
N#CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020221659	1	29	-1.0	-41.58	285.52	1.08	-40.50
O=S(=O)(C1=CN=C2NC=C(Br)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221660	0	34	-1.0	-47.91	325.44	1.51	-46.40
O=S(=O)(C1=CN=C2NC=C(Br)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221660	1	34	-1.0	-47.92	325.51	1.53	-46.39
O=S(=O)(C1=NC=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221661	0	29	-1.0	-41.39	289.06	-0.48	-41.87
O=S(=O)(C1=NC=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221661	1	29	-1.0	-41.35	288.98	-0.50	-41.85
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020221662	0	35	-1.0	-46.59	324.40	-0.28	-46.87
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020221662	1	35	-1.0	-46.57	324.47	-0.26	-46.83
CC1=C(C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020221663	0	37	-1.0	-42.79	316.70	3.05	-39.74
CC1=C(C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020221663	1	37	-1.0	-42.81	316.78	3.05	-39.76
O=S(=O)(C1=NC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221664	0	30	-1.0	-44.24	285.12	0.33	-43.91
O=S(=O)(C1=NC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221664	1	30	-1.0	-44.20	285.05	0.33	-43.87
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221665	0	35	-1.0	-42.55	320.98	2.16	-40.39
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221665	1	35	-1.0	-42.58	321.05	2.17	-40.41
COC1=CC=NC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221666	0	34	-1.0	-41.88	297.24	-0.35	-42.23
COC1=CC=NC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221666	1	34	-1.0	-41.87	297.17	-0.36	-42.23
O=S(=O)(C1=CC(C(F)(F)F)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221667	0	33	-1.0	-41.74	310.94	0.81	-40.93
O=S(=O)(C1=CC(C(F)(F)F)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221667	1	33	-1.0	-41.74	310.87	0.80	-40.94
COC1=NC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020221668	0	34	-1.0	-40.32	308.39	-1.30	-41.62
COC1=NC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020221668	1	34	-1.0	-40.32	308.32	-1.31	-41.63
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221669	0	38	-1.0	-48.62	334.47	-0.41	-49.03
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221669	1	38	-1.0	-48.60	334.40	-0.40	-49.00
O=S(=O)(C=CC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020221670	0	35	-1.0	-40.90	339.34	3.81	-37.09
O=S(=O)(C=CC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020221670	1	35	-1.0	-40.93	339.41	3.82	-37.11
CC(C)(C)OC(=O)NC1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020221671	0	47	-1.0	-45.81	394.67	1.60	-44.21
CC(C)(C)OC(=O)NC1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020221671	1	47	-1.0	-45.78	394.74	1.60	-44.18
O=[N+]([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221672	0	36	-1.0	-44.04	332.92	3.83	-40.21
O=[N+]([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221672	1	36	-1.0	-44.08	333.00	3.83	-40.25
O=S(=O)(C1=NC=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221673	0	30	-1.0	-42.55	298.16	0.46	-42.09
O=S(=O)(C1=NC=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221673	1	30	-1.0	-42.56	298.09	0.45	-42.11
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020221674	0	42	-1.0	-41.20	348.44	2.11	-39.09
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020221674	1	42	-1.0	-41.23	348.37	2.09	-39.14
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221675	0	37	-1.0	-39.97	318.32	0.85	-39.12
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221675	1	37	-1.0	-39.95	318.25	0.84	-39.11
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CN=C12	REAL300020221676	0	39	-1.0	-43.27	326.17	2.62	-40.65
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CN=C12	REAL300020221676	1	39	-1.0	-43.28	326.09	2.62	-40.66
COC(=O)C1=NC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020221677	0	39	-1.0	-41.38	343.07	1.03	-40.35
COC(=O)C1=NC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020221677	1	39	-1.0	-41.35	342.99	1.03	-40.32
CC(C1=CC=CC=C1)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221678	0	37	-1.0	-41.67	310.21	3.12	-38.55
CC(C1=CC=CC=C1)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221678	1	37	-1.0	-41.65	310.29	3.14	-38.51
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221679	0	34	-1.0	-48.73	316.18	3.77	-44.96
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221679	1	34	-1.0	-48.75	316.25	3.78	-44.97
O=S(=O)(C1=CC=NN1CC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221680	0	38	-1.0	-40.61	322.64	1.89	-38.72
O=S(=O)(C1=CC=NN1CC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221680	1	38	-1.0	-40.59	322.57	1.88	-38.71
O=S(=O)(C1=CC=NN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221681	0	38	-1.0	-45.44	332.51	2.72	-42.72
O=S(=O)(C1=CC=NN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221681	1	38	-1.0	-45.39	332.44	2.71	-42.68
COC1=NOC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221682	0	34	-1.0	-47.95	308.22	-2.04	-49.99
COC1=NOC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221682	1	34	-1.0	-47.96	308.30	-2.02	-49.98
O=S(=O)(C1=CC=C(C(F)F)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221683	0	33	-1.0	-42.18	304.23	0.64	-41.54
O=S(=O)(C1=CC=C(C(F)F)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221683	1	33	-1.0	-42.17	304.16	0.63	-41.54
CC(C)N1C=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020221684	0	37	-1.0	-43.68	321.09	0.63	-43.05
CC(C)N1C=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020221684	1	37	-1.0	-43.65	321.02	0.62	-43.03
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020221685	0	48	-1.0	-43.60	336.93	5.65	-37.95
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020221685	1	48	-1.0	-43.61	337.01	5.65	-37.96
CC1=CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020221686	0	37	-1.0	-40.71	339.54	3.57	-37.14
CC1=CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020221686	1	37	-1.0	-40.75	339.61	3.57	-37.18
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CN=C21	REAL300020221687	0	36	-1.0	-45.48	311.64	2.07	-43.41
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CN=C21	REAL300020221687	1	36	-1.0	-45.52	311.56	2.06	-43.46
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020221688	0	41	-1.0	-43.17	361.53	3.06	-40.11
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020221688	1	41	-1.0	-43.20	361.60	3.07	-40.13
CN(CCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221689	0	41	-1.0	-46.24	327.80	6.05	-40.19
CN(CCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221689	1	41	-1.0	-46.23	327.87	6.06	-40.17
CC(=O)OC1CCCN(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221690	0	41	-1.0	-46.53	320.81	3.73	-42.80
CC(=O)OC1CCCN(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221690	1	41	-1.0	-46.60	320.89	3.74	-42.86
O=C(N1CCC(C2=N[N-]N=N2)C1)N1CCC(C(F)(F)F)CC1	REAL300020221691	0	38	-1.0	-44.47	305.07	3.86	-40.61
O=C(N1CCC(C2=NN=N[N-]2)C1)N1CCC(C(F)(F)F)CC1	REAL300020221691	1	38	-1.0	-44.47	305.14	3.87	-40.60
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C(C)C	REAL300020221692	0	40	-1.0	-39.34	334.89	1.34	-38.00
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C(C)C	REAL300020221692	1	40	-1.0	-39.37	334.96	1.35	-38.02
O=S(=O)(C1=CC=CC(C2CC2(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221693	0	38	-1.0	-43.80	336.07	3.85	-39.95
O=S(=O)(C1=CC=CC(C2CC2(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221693	1	38	-1.0	-43.84	336.14	3.85	-39.99
O=S(=O)(C1=CN=CC(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221694	0	33	-1.0	-40.06	303.63	0.67	-39.39
O=S(=O)(C1=CN=CC(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221694	1	33	-1.0	-40.05	303.56	0.67	-39.38
O=S(=O)(F)C1=CSC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221695	0	31	-1.0	-42.61	314.87	-2.16	-44.77
O=S(=O)(F)C1=CSC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221695	1	31	-1.0	-42.63	314.94	-2.16	-44.79
O=S(=O)(C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221696	0	31	-1.0	-42.51	292.47	2.17	-40.34
O=S(=O)(C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221696	1	31	-1.0	-42.53	292.54	2.18	-40.35
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=C1NCCC2	REAL300020221697	0	43	-1.0	-41.94	347.95	2.68	-39.26
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=C1NCCC2	REAL300020221697	1	43	-1.0	-41.97	348.02	2.68	-39.29
CC(C)C1CC(CS(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020221698	0	43	-1.0	-47.02	346.29	3.30	-43.72
CC(C)C1CC(CS(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020221698	1	43	-1.0	-47.03	346.37	3.31	-43.72
O=S(=O)(C1=CC=CC(C2OCCO2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221699	0	40	-1.0	-42.85	343.66	1.28	-41.57
O=S(=O)(C1=CC=CC(C2OCCO2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221699	1	40	-1.0	-42.87	343.74	1.29	-41.58
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020221700	0	45	-1.0	-44.74	384.51	5.20	-39.54
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020221700	1	45	-1.0	-44.74	384.58	5.22	-39.52
O=S(=O)(C1=CC=C(C2CC2(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221701	0	38	-1.0	-46.57	337.24	3.89	-42.68
O=S(=O)(C1=CC=C(C2CC2(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221701	1	38	-1.0	-46.57	337.31	3.90	-42.67
O=S(=O)(C1=CSC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020221702	0	28	-1.0	-41.66	278.63	1.02	-40.64
O=S(=O)(C1=CSC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020221702	1	28	-1.0	-41.66	278.70	1.02	-40.64
O=S(=O)(C1=CNC2=CC(Cl)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221703	0	35	-1.0	-42.51	322.25	1.97	-40.54
O=S(=O)(C1=CNC2=CC(Cl)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221703	1	35	-1.0	-42.52	322.32	1.98	-40.54
O=C(N1CCC(C2=N[N-]N=N2)C1)N1CCC[C@@H]2CCCC[C@@H]21	REAL300020221704	0	45	-1.0	-41.75	311.56	4.88	-36.87
O=C(N1CCC(C2=NN=N[N-]2)C1)N1CCC[C@@H]2CCCC[C@@H]21	REAL300020221704	1	45	-1.0	-41.71	311.63	4.89	-36.82
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221705	0	33	-1.0	-40.84	300.84	0.85	-39.99
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221705	1	33	-1.0	-40.78	300.91	0.85	-39.93
O=S(=O)(C1=NC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221706	0	36	-1.0	-44.63	312.22	2.18	-42.45
O=S(=O)(C1=NC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221706	1	36	-1.0	-44.60	312.15	2.17	-42.43
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221707	0	40	-1.0	-47.75	343.52	3.65	-44.10
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221707	1	40	-1.0	-47.74	343.60	3.67	-44.07
O=S(=O)(C1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020221708	0	42	-1.0	-43.73	360.44	5.76	-37.97
O=S(=O)(C1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020221708	1	42	-1.0	-43.78	360.51	5.76	-38.02
CC1=CN=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020221709	0	36	-1.0	-46.65	304.61	1.11	-45.54
CC1=CN=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020221709	1	36	-1.0	-46.66	304.54	1.10	-45.56
O=S(=O)(C1=CC(C(F)F)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221710	0	34	-1.0	-45.54	311.92	2.55	-42.99
O=S(=O)(C1=CC(C(F)F)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221710	1	34	-1.0	-45.54	311.99	2.56	-42.98
O=S(=O)(C1=CN=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221711	0	30	-1.0	-39.48	292.61	0.45	-39.03
O=S(=O)(C1=CN=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221711	1	30	-1.0	-39.48	292.54	0.45	-39.03
O=S(=O)(C1=NC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221712	0	33	-1.0	-45.32	293.69	0.87	-44.45
O=S(=O)(C1=NC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221712	1	33	-1.0	-45.30	293.62	0.86	-44.44
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221713	0	39	-1.0	-53.27	333.85	-2.52	-55.79
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221713	1	39	-1.0	-53.23	333.92	-2.51	-55.74
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CC2CCC(C1)O2	REAL300020221714	0	38	-1.0	-40.87	298.67	-0.63	-41.50
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CC2CCC(C1)O2	REAL300020221714	1	38	-1.0	-40.88	298.74	-0.63	-41.51
N#CC1CCN(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020221715	0	37	-1.0	-48.37	314.46	1.14	-47.23
N#CC1CCN(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020221715	1	37	-1.0	-48.39	314.53	1.14	-47.25
CC1=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020221716	0	33	-1.0	-41.22	312.55	0.85	-40.37
CC1=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020221716	1	33	-1.0	-41.23	312.63	0.85	-40.38
O=S(=O)(C1=NC=C(Cl)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020221717	0	30	-1.0	-40.05	305.54	0.96	-39.09
O=S(=O)(C1=NC=C(Cl)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020221717	1	30	-1.0	-40.01	305.47	0.96	-39.05
O=S(=O)(C1=NN(C2CC2(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221718	0	35	-1.0	-50.85	323.93	0.98	-49.87
O=S(=O)(C1=NN(C2CC2(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221718	1	35	-1.0	-50.81	323.86	0.97	-49.84
O=S(=O)(C=CC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221719	0	35	-1.0	-42.59	314.78	2.94	-39.65
O=S(=O)(C=CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221719	1	35	-1.0	-42.61	314.86	2.95	-39.66
O=S(=O)(C=CC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221720	0	35	-1.0	-42.15	325.10	3.39	-38.76
O=S(=O)(C=CC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221720	1	35	-1.0	-42.15	325.18	3.40	-38.75
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221721	0	40	-1.0	-47.03	356.31	1.22	-45.81
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221721	1	40	-1.0	-47.01	356.38	1.22	-45.79
COC1=CC=NC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221722	0	34	-1.0	-43.81	301.62	-0.87	-44.68
COC1=CC=NC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221722	1	34	-1.0	-43.83	301.55	-0.89	-44.72
O=S(=O)(C1=CC=CC=C1C1CC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221723	0	38	-1.0	-44.20	320.02	3.50	-40.70
O=S(=O)(C1=CC=CC=C1C1CC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221723	1	38	-1.0	-44.16	320.09	3.51	-40.65
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1Cl	REAL300020221724	0	34	-1.0	-43.66	317.36	3.04	-40.62
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1Cl	REAL300020221724	1	34	-1.0	-43.70	317.43	3.06	-40.64
O=S(=O)(C1=CC=C(OC(F)(F)F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221725	0	35	-1.0	-43.27	323.79	1.38	-41.89
O=S(=O)(C1=CC=C(OC(F)(F)F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221725	1	35	-1.0	-43.26	323.87	1.38	-41.88
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)F)=C1	REAL300020221726	0	38	-1.0	-39.79	329.90	2.21	-37.58
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)F)=C1	REAL300020221726	1	38	-1.0	-39.86	329.98	2.22	-37.64
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(=O)OC	REAL300020221727	0	44	-1.0	-43.61	380.17	3.27	-40.34
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(=O)OC	REAL300020221727	1	44	-1.0	-43.62	380.24	3.28	-40.34
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1	REAL300020221728	0	44	-1.0	-43.25	375.27	4.21	-39.04
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1	REAL300020221728	1	44	-1.0	-43.31	375.33	4.21	-39.10
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221729	0	36	-1.0	-47.78	319.16	1.67	-46.11
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221729	1	36	-1.0	-47.73	319.09	1.67	-46.06
COC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020221730	0	34	-1.0	-44.51	301.45	-0.92	-45.43
COC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020221730	1	34	-1.0	-44.54	301.38	-0.94	-45.48
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221731	0	37	-1.0	-40.14	336.87	-0.06	-40.20
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221731	1	37	-1.0	-40.10	336.79	-0.07	-40.17
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221732	0	37	-1.0	-43.30	345.26	4.08	-39.22
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221732	1	37	-1.0	-43.30	345.33	4.09	-39.21
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221733	0	37	-1.0	-47.19	324.39	2.95	-44.24
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221733	1	37	-1.0	-47.16	324.47	2.96	-44.20
O=S(=O)(C1=CC=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221734	0	36	-1.0	-42.29	307.46	1.84	-40.45
O=S(=O)(C1=CC=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221734	1	36	-1.0	-42.26	307.38	1.82	-40.44
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221735	0	37	-1.0	-48.47	322.14	0.79	-47.68
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221735	1	37	-1.0	-48.49	322.06	0.79	-47.70
COC(=O)C1=NC2=CC=C(S(=O)(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020221736	0	42	-1.0	-44.89	372.66	2.72	-42.17
COC(=O)C1=NC2=CC=C(S(=O)(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020221736	1	42	-1.0	-44.86	372.58	2.70	-42.16
CC1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NC=CC=C12	REAL300020221737	0	39	-1.0	-47.88	329.53	3.17	-44.71
CC1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020221737	1	39	-1.0	-47.90	329.60	3.17	-44.73
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CC=C(Br)CC1	REAL300020221738	0	34	-1.0	-43.66	307.08	1.36	-42.30
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CC=C(Br)CC1	REAL300020221738	1	34	-1.0	-43.68	307.15	1.38	-42.30
CC1=CC=C(O)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221739	0	35	-1.0	-43.20	303.97	0.12	-43.08
CC1=CC=C(O)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221739	1	35	-1.0	-43.17	304.04	0.12	-43.05
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221739	1	34	-2.0	-91.18	299.28	1.00	-90.18
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221739	1	34	-2.0	-91.17	299.36	1.01	-90.16
O=S(=O)(N1CCC(C2=N[N-]N=N2)C1)N1CCC(F)(F)C1	REAL300020221740	0	33	-1.0	-40.16	292.78	0.17	-39.99
O=S(=O)(N1CCC(C2=NN=N[N-]2)C1)N1CCC(F)(F)C1	REAL300020221740	1	33	-1.0	-40.21	292.86	0.17	-40.04
NC1=CC(Br)=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221741	0	33	-1.0	-39.71	312.34	0.19	-39.52
NC1=CC(Br)=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221741	1	33	-1.0	-39.72	312.41	0.20	-39.52
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221742	0	44	-1.0	-43.37	360.87	3.75	-39.62
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221742	1	44	-1.0	-43.40	360.94	3.75	-39.65
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020221743	0	33	-1.0	-43.88	299.91	0.97	-42.91
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020221743	1	33	-1.0	-43.92	299.84	0.97	-42.95
O=S(=O)(C1=NC=CC=C1C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221744	0	33	-1.0	-48.35	288.60	0.74	-47.61
O=S(=O)(C1=NC=CC=C1C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221744	1	33	-1.0	-48.35	288.53	0.73	-47.62
CC1=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Cl)S1	REAL300020221745	0	31	-1.0	-35.89	293.90	1.78	-34.11
CC1=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Cl)S1	REAL300020221745	1	31	-1.0	-35.86	293.97	1.79	-34.07
O=S(=O)(C1=CC(C(F)F)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221746	0	33	-1.0	-43.88	304.32	0.69	-43.19
O=S(=O)(C1=CC(C(F)F)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221746	1	33	-1.0	-43.90	304.39	0.70	-43.20
O=S(=O)(C1=CNC2=CC(C(F)(F)F)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020221747	0	38	-1.0	-42.75	344.50	2.47	-40.28
O=S(=O)(C1=CNC2=CC(C(F)(F)F)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020221747	1	38	-1.0	-42.75	344.58	2.47	-40.28
O=S(=O)(C1=CC=C(C2OCCO2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020221748	0	40	-1.0	-46.32	345.19	1.23	-45.09
O=S(=O)(C1=CC=C(C2OCCO2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020221748	1	40	-1.0	-46.33	345.26	1.23	-45.10
O=S(=O)(C1=C2CCCCN2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020221749	0	38	-1.0	-40.47	316.90	0.93	-39.54
O=S(=O)(C1=C2CCCCN2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020221749	1	38	-1.0	-40.49	316.97	0.95	-39.54
COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020221750	0	39	-1.0	-45.32	332.35	4.13	-41.19
COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020221750	1	39	-1.0	-45.29	332.29	4.10	-41.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN=C(C2=CC=CC=C2)O1	REAL300020221751	0	38	-1.0	-50.22	343.85	1.69	-48.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN=C(C2=CC=CC=C2)O1	REAL300020221751	1	38	-1.0	-50.21	343.79	1.66	-48.55
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020221752	0	36	-1.0	-49.52	323.98	5.20	-44.32
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020221752	1	36	-1.0	-49.49	323.92	5.17	-44.32
O=C(NC1=CC=C(Cl)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221753	0	35	-1.0	-52.72	320.04	5.27	-47.45
O=C(NC1=CC=C(Cl)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221753	1	35	-1.0	-52.68	319.98	5.25	-47.43
O=C(NC1=CC=CC(Cl)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221754	0	35	-1.0	-43.04	320.06	5.27	-37.77
O=C(NC1=CC=CC(Cl)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221754	1	35	-1.0	-43.05	320.00	5.25	-37.80
O=C(NC1=CC=C(F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221755	0	35	-1.0	-53.34	309.73	4.82	-48.52
O=C(NC1=CC=C(F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221755	1	35	-1.0	-53.30	309.67	4.80	-48.50
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020221756	0	38	-1.0	-49.95	324.56	5.47	-44.48
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020221756	1	38	-1.0	-49.93	324.50	5.44	-44.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C=C1F	REAL300020221757	0	35	-1.0	-40.66	315.17	5.01	-35.65
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C=C1F	REAL300020221757	1	35	-1.0	-40.66	315.11	4.99	-35.67
NS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020221758	0	40	-1.0	-61.16	357.53	-0.29	-61.45
NS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020221758	1	40	-1.0	-61.16	357.47	-0.32	-61.48
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020221759	0	38	-1.0	-53.78	324.57	5.47	-48.31
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020221759	1	38	-1.0	-53.71	324.51	5.44	-48.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1F	REAL300020221760	0	35	-1.0	-40.78	307.81	4.89	-35.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1F	REAL300020221760	1	35	-1.0	-40.80	307.75	4.86	-35.94
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020221761	0	39	-1.0	-55.98	332.82	4.05	-51.93
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020221761	1	39	-1.0	-55.98	332.76	4.02	-51.96
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC(=O)C2=CC=CC=C2N1	REAL300020221762	0	38	-1.0	-48.39	336.52	3.41	-44.98
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC(=O)C2=CC=CC=C2N1	REAL300020221762	1	38	-1.0	-48.36	336.46	3.39	-44.97
O=S1(=O)N=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C21	REAL300020221763	0	35	-1.0	-54.67	318.34	3.55	-51.12
O=S1(=O)N=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C21	REAL300020221763	1	35	-1.0	-54.68	318.29	3.53	-51.15
O=C(NC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221764	0	37	-1.0	-55.60	331.51	5.42	-50.18
O=C(NC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221764	1	37	-1.0	-55.60	331.45	5.40	-50.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC([N+](=O)[O-])=C1	REAL300020221765	0	37	-1.0	-66.87	331.51	5.43	-61.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC([N+](=O)[O-])=C1	REAL300020221765	1	37	-1.0	-66.92	331.45	5.40	-61.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC2=CC=CC=C2S1	REAL300020221766	0	35	-1.0	-42.77	323.72	5.08	-37.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC2=CC=CC=C2S1	REAL300020221766	1	35	-1.0	-42.80	323.66	5.05	-37.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=CC=CC=C21	REAL300020221767	0	41	-1.0	-42.49	345.15	7.18	-35.31
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=CC=CC=C21	REAL300020221767	1	41	-1.0	-42.52	345.10	7.16	-35.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC(C2=CC=CC=C2)=NO1	REAL300020221768	0	38	-1.0	-50.87	343.45	4.11	-46.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC(C2=CC=CC=C2)=NO1	REAL300020221768	1	38	-1.0	-50.89	343.39	4.08	-46.81
CC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020221769	0	40	-1.0	-55.12	343.79	5.26	-49.86
CC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020221769	1	40	-1.0	-55.14	343.73	5.24	-49.90
O=C(NCCC1=CC=C(F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221770	0	41	-1.0	-43.24	357.09	5.75	-37.49
O=C(NCCC1=CC=C(F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221770	1	41	-1.0	-43.23	357.03	5.73	-37.50
N#CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020221771	0	36	-1.0	-60.71	324.17	5.15	-55.56
N#CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020221771	1	36	-1.0	-60.69	324.12	5.12	-55.57
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)OCC(F)(F)F	REAL300020221772	0	30	-1.0	-38.09	285.19	3.15	-34.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)OCC(F)(F)F	REAL300020221772	1	30	-1.0	-38.06	285.14	3.12	-34.94
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020221773	0	38	-1.0	-42.06	330.40	1.48	-40.58
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020221773	1	38	-1.0	-42.06	330.34	1.46	-40.60
COC1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221774	0	38	-1.0	-47.21	328.51	1.66	-45.55
COC1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221774	1	38	-1.0	-47.21	328.45	1.64	-45.57
O=C(NCC(F)(F)F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221775	0	31	-1.0	-39.74	288.59	2.37	-37.37
O=C(NCC(F)(F)F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221775	1	31	-1.0	-39.76	288.53	2.35	-37.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1Cl	REAL300020221776	0	35	-1.0	-40.29	316.78	5.41	-34.88
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1Cl	REAL300020221776	1	35	-1.0	-40.27	316.73	5.39	-34.88
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221777	0	40	-2.0	-92.13	364.28	5.87	-86.26
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221777	1	40	-2.0	-92.12	364.23	5.84	-86.28
O=C(NC1=NC=C(C2=CC=CC=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221777	1	41	-1.0	-45.71	367.54	7.06	-38.65
O=C(NC1=NC=C(C2=CC=CC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221777	1	41	-1.0	-45.72	367.48	7.03	-38.69
CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020221778	0	33	-2.0	-86.38	306.10	2.34	-84.04
CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020221778	1	33	-2.0	-86.42	306.05	2.32	-84.10
CC1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020221778	1	34	-1.0	-40.33	309.36	3.54	-36.79
CC1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020221778	1	34	-1.0	-40.34	309.30	3.52	-36.82
O=C(NC1=CC=C2C(=O)NC(=O)C2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221779	0	39	-1.0	-51.13	347.13	1.70	-49.43
O=C(NC1=CC=C2C(=O)NC(=O)C2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221779	1	39	-1.0	-51.12	347.07	1.67	-49.45
CC1=C(C)OC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020221780	0	36	-2.0	-105.10	318.86	0.63	-104.47
CC1=C(C)OC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020221780	1	36	-2.0	-105.06	318.81	0.61	-104.45
CC1=C(C)OC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020221780	1	37	-1.0	-44.60	323.02	2.46	-42.14
CC1=C(C)OC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020221780	1	37	-1.0	-44.57	322.96	2.43	-42.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300020221781	0	37	-1.0	-44.89	344.97	6.08	-38.81
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300020221781	1	37	-1.0	-44.93	344.92	6.06	-38.87
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O=C([N-]C1=NC2=CC=CC=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221782	1	36	-2.0	-94.33	333.66	4.58	-89.75
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CC(C)(C)OC(=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221804	0	38	-1.0	-47.37	322.05	5.02	-42.35
CC(C)(C)OC(=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221804	1	38	-1.0	-47.39	321.99	4.99	-42.40
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CC1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221807	1	38	-1.0	-56.05	338.31	6.17	-49.88
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020221808	0	41	-1.0	-49.30	338.65	6.27	-43.03
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020221808	1	41	-1.0	-49.25	338.60	6.25	-43.00
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020221809	0	41	-1.0	-54.60	341.55	6.01	-48.59
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020221809	1	41	-1.0	-54.59	341.50	5.98	-48.61
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1OC	REAL300020221810	0	47	-1.0	-47.20	394.75	3.96	-43.24
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1OC	REAL300020221810	1	47	-1.0	-47.15	394.69	3.94	-43.21
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COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1	REAL300020221812	0	43	-1.0	-47.85	361.82	3.44	-44.41
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1	REAL300020221812	1	43	-1.0	-47.86	361.77	3.41	-44.45
CC1=CC(C)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020221813	0	41	-1.0	-44.97	345.67	6.18	-38.79
CC1=CC(C)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020221813	1	41	-1.0	-44.98	345.61	6.16	-38.82
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CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020221815	0	41	-1.0	-49.00	345.74	6.27	-42.73
CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020221815	1	41	-1.0	-48.95	345.69	6.25	-42.70
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CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221817	0	38	-1.0	-41.95	321.64	5.69	-36.26
CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221817	1	38	-1.0	-41.96	321.59	5.66	-36.30
CN1N=C(C2CC2)N=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221818	0	39	-1.0	-40.31	338.03	5.42	-34.89
CN1N=C(C2CC2)N=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221818	1	39	-1.0	-40.33	337.97	5.40	-34.93
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)C(=O)N1CCOCC1	REAL300020221820	1	41	-1.0	-42.56	349.00	3.66	-38.90
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1CCCCCC1	REAL300020221822	1	41	-1.0	-41.29	322.21	6.36	-34.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC2=CC=C(O)C=C2S1	REAL300020221823	0	36	-1.0	-42.55	334.73	2.22	-40.33
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC2=CC=C(O)C=C2S1	REAL300020221823	1	36	-1.0	-42.55	334.68	2.20	-40.35
CC(C)(C)OC(=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221824	0	38	-1.0	-47.37	322.05	5.02	-42.35
CC(C)(C)OC(=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221824	1	38	-1.0	-47.39	321.99	4.99	-42.40
CCN1C=C(C(=O)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020221825	0	38	-1.0	-50.89	335.65	4.05	-46.84
CCN1C=C(C(=O)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020221825	1	38	-1.0	-50.90	335.59	4.02	-46.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC2=CC(Cl)=CC=C2S1	REAL300020221826	0	35	-1.0	-48.07	340.70	5.57	-42.50
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC2=CC(Cl)=CC=C2S1	REAL300020221826	1	35	-1.0	-48.09	340.64	5.55	-42.54
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)C1CCSCC1	REAL300020221827	0	39	-1.0	-44.19	338.83	5.41	-38.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(=O)C1CCSCC1	REAL300020221827	1	39	-1.0	-44.17	338.78	5.38	-38.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC(Br)=CS1	REAL300020221828	0	29	-1.0	-40.59	298.32	3.17	-37.42
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC(Br)=CS1	REAL300020221828	1	29	-1.0	-40.56	298.27	3.14	-37.42
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN=C(C2=C(F)C=CC=C2F)S1	REAL300020221829	0	38	-1.0	-46.55	359.45	5.42	-41.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN=C(C2=C(F)C=CC=C2F)S1	REAL300020221829	1	38	-1.0	-46.53	359.50	5.44	-41.09
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC(C2CC2)=NO1	REAL300020221830	0	35	-1.0	-49.50	315.53	2.56	-46.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC(C2CC2)=NO1	REAL300020221830	1	35	-1.0	-49.49	315.47	2.53	-46.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1	REAL300020221831	0	39	-1.0	-39.77	359.57	6.84	-32.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1	REAL300020221831	1	39	-1.0	-39.80	359.63	6.87	-32.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1	REAL300020221832	0	39	-1.0	-41.43	359.58	6.84	-34.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1	REAL300020221832	1	39	-1.0	-41.46	359.63	6.87	-34.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Br)=NO1	REAL300020221833	0	29	-1.0	-44.74	289.05	3.48	-41.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Br)=NO1	REAL300020221833	1	29	-1.0	-44.74	288.99	3.46	-41.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC=C(Br)S1	REAL300020221834	0	29	-1.0	-39.98	297.68	3.35	-36.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC=C(Br)S1	REAL300020221834	1	29	-1.0	-40.00	297.62	3.32	-36.68
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC(C2=CN=CC=N2)=NO1	REAL300020221835	0	36	-1.0	-43.86	333.58	0.36	-43.50
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC(C2=CN=CC=N2)=NO1	REAL300020221835	1	36	-1.0	-43.83	333.53	0.33	-43.50
CC(C)(C)N1N=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020221836	0	40	-1.0	-51.63	345.81	3.33	-48.30
CC(C)(C)N1N=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020221836	1	40	-1.0	-51.62	345.75	3.31	-48.31
COCC1=NN(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020221837	0	39	-1.0	-46.70	340.32	2.85	-43.85
COCC1=NN(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020221837	1	39	-1.0	-46.67	340.27	2.83	-43.84
CC1(C2=NN=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)O2)CC1	REAL300020221838	0	38	-1.0	-49.46	337.41	0.71	-48.75
CC1(C2=NN=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)O2)CC1	REAL300020221838	1	38	-1.0	-49.49	337.35	0.68	-48.81
CC1CC1C1=NOC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020221839	0	38	-1.0	-39.44	336.64	3.25	-36.19
CC1CC1C1=NOC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020221839	1	38	-1.0	-39.45	336.58	3.23	-36.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN=C(C2CC2)O1	REAL300020221840	0	35	-1.0	-49.54	315.85	0.30	-49.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN=C(C2CC2)O1	REAL300020221840	1	35	-1.0	-49.56	315.79	0.28	-49.28
CC(C)(C)C1=NN=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020221841	0	40	-1.0	-49.08	346.30	0.54	-48.54
CC(C)(C)C1=NN=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020221841	1	40	-1.0	-49.05	346.24	0.51	-48.54
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2N=CNC2=NC=N1	REAL300020221842	0	34	-1.0	-58.40	306.15	4.45	-53.95
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2N=CNC2=NC=N1	REAL300020221842	1	34	-1.0	-58.40	306.09	4.43	-53.97
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN=C(NC2CC2)O1	REAL300020221843	0	37	-1.0	-49.96	331.77	-0.77	-50.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN=C(NC2CC2)O1	REAL300020221843	1	37	-1.0	-49.99	331.71	-0.79	-50.78
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN=C(C2=CSC=N2)O1	REAL300020221844	0	34	-1.0	-55.09	328.62	-1.40	-56.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN=C(C2=CSC=N2)O1	REAL300020221844	1	34	-1.0	-55.07	328.57	-1.43	-56.50
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221845	0	42	-1.0	-48.80	371.99	5.37	-43.43
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221845	1	42	-1.0	-48.76	371.93	5.34	-43.42
CC(C)(C1=NN=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1)S(C)(=O)=O	REAL300020221846	0	43	-1.0	-58.87	380.87	-2.77	-61.64
CC(C)(C1=NN=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1)S(C)(=O)=O	REAL300020221846	1	43	-1.0	-58.86	380.81	-2.79	-61.65
COC1=NC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020221847	0	35	-1.0	-48.31	313.03	0.37	-47.94
COC1=NC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020221847	1	35	-1.0	-48.32	312.97	0.35	-47.97
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN=C(C2=CC=NS2)O1	REAL300020221848	0	34	-1.0	-50.79	329.77	-0.57	-51.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN=C(C2=CC=NS2)O1	REAL300020221848	1	34	-1.0	-50.82	329.72	-0.59	-51.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN=C(C2=CC=C(F)C=N2)O1	REAL300020221849	0	37	-1.0	-42.16	345.23	-0.05	-42.21
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN=C(C2=CC=C(F)C=N2)O1	REAL300020221849	1	37	-1.0	-42.13	345.17	-0.08	-42.21
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC[N@H+]1C(C)C	REAL300020221850	0	46	0.0	-67.76	355.45	6.40	-61.36
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC[N@@H+]1C(C)C	REAL300020221850	1	46	0.0	-60.06	356.33	6.43	-53.63
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCN1C(C)C	REAL300020221850	1	45	-1.0	-52.07	360.89	6.47	-45.60
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCN1C(C)C	REAL300020221850	1	45	-1.0	-52.07	360.95	6.50	-45.57
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=NC=CC=N2)C=N1	REAL300020221851	0	37	-1.0	-62.40	338.74	6.94	-55.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=NC=CC=N2)C=N1	REAL300020221851	1	37	-1.0	-62.38	338.68	6.91	-55.47
O=C(NC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221852	0	37	-1.0	-45.91	326.01	3.80	-42.11
O=C(NC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221852	1	37	-1.0	-45.92	325.95	3.78	-42.14
CNC1=CC=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020221853	0	36	-1.0	-56.91	316.67	2.72	-54.19
CNC1=CC=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020221853	1	36	-1.0	-56.90	316.62	2.70	-54.20
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020221855	0	37	-1.0	-54.03	319.52	3.63	-50.40
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020221855	1	37	-1.0	-53.97	319.58	3.66	-50.31
CCNC1=NN=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020221856	0	36	-1.0	-42.05	321.52	-1.70	-43.75
CCNC1=NN=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020221856	1	36	-1.0	-42.02	321.46	-1.73	-43.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN=C(C2=CC=C(F)C=C2)O1	REAL300020221857	0	38	-1.0	-40.14	350.27	1.75	-38.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN=C(C2=CC=C(F)C=C2)O1	REAL300020221857	1	38	-1.0	-40.13	350.21	1.72	-38.41
NC1=NC(C(F)(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020221858	0	34	-1.0	-42.57	321.94	2.94	-39.63
NC1=NC(C(F)(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020221858	1	34	-1.0	-42.56	321.88	2.91	-39.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN=C(C(F)(F)F)S1	REAL300020221859	0	31	-1.0	-43.47	313.16	2.72	-40.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN=C(C(F)(F)F)S1	REAL300020221859	1	31	-1.0	-43.49	313.10	2.70	-40.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC2=CC=CC=C2O1	REAL300020221860	0	35	-1.0	-55.97	314.52	2.48	-53.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC2=CC=CC=C2O1	REAL300020221860	1	35	-1.0	-55.92	314.46	2.45	-53.47
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C2NC=CC=C12	REAL300020221861	0	36	-1.0	-71.25	313.62	4.91	-66.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C2NC=CC=C12	REAL300020221861	1	36	-1.0	-71.25	313.56	4.89	-66.36
CC1(C2=NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NO2)CC1	REAL300020221862	0	38	-1.0	-52.87	335.99	3.21	-49.66
CC1(C2=NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NO2)CC1	REAL300020221862	1	38	-1.0	-52.91	335.93	3.19	-49.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC=CC(NC2CC2)=N1	REAL300020221863	0	40	-1.0	-57.01	347.37	4.38	-52.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC=CC(NC2CC2)=N1	REAL300020221863	1	40	-1.0	-57.00	347.31	4.36	-52.64
O=C([N-]C1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221864	0	38	-2.0	-87.98	338.94	1.95	-86.03
O=C([N-]C1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221864	1	38	-2.0	-88.01	338.89	1.93	-86.08
O=C(NC1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221864	1	39	-1.0	-41.19	342.20	3.15	-38.04
O=C(NC1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221864	1	39	-1.0	-41.17	342.15	3.13	-38.04
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC2=CC(F)=CC=C2N1	REAL300020221865	0	36	-1.0	-46.97	324.90	4.40	-42.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC2=CC(F)=CC=C2N1	REAL300020221865	1	36	-1.0	-46.92	324.85	4.38	-42.54
CC1=C(C(F)(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=C1	REAL300020221866	0	36	-1.0	-40.13	330.98	6.00	-34.13
CC1=C(C(F)(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=C1	REAL300020221866	1	36	-1.0	-40.11	330.92	5.98	-34.13
O=C(NC1=CC=C(O)C=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221867	0	38	-1.0	-46.51	337.01	0.94	-45.57
O=C(NC1=CC=C(O)C=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221867	1	38	-1.0	-46.52	336.96	0.92	-45.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN2C=CC=C(Br)C2=N1	REAL300020221868	0	35	-1.0	-58.97	336.03	5.70	-53.27
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN2C=CC=C(Br)C2=N1	REAL300020221868	1	35	-1.0	-58.97	335.98	5.68	-53.29
COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020221869	0	39	-1.0	-43.97	312.40	3.63	-40.34
COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020221869	1	39	-1.0	-44.04	312.46	3.64	-40.40
O=C(C1=NN=C(C2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221870	0	38	-1.0	-43.31	322.45	1.53	-41.78
O=C(C1=NN=C(C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221870	1	38	-1.0	-43.29	322.51	1.55	-41.74
O=C(NC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221871	0	35	-1.0	-42.66	301.00	4.80	-37.86
O=C(NC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221871	1	35	-1.0	-42.66	301.06	4.81	-37.85
O=C(NC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221872	0	35	-1.0	-44.67	299.60	4.84	-39.83
O=C(NC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221872	1	35	-1.0	-44.66	299.66	4.85	-39.81
O=C(NC1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221873	0	35	-1.0	-40.13	295.44	4.48	-35.65
O=C(NC1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221873	1	35	-1.0	-40.17	295.50	4.49	-35.68
NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020221874	0	40	-1.0	-49.50	338.48	-0.77	-50.27
NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020221874	1	40	-1.0	-49.53	338.53	-0.75	-50.28
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020221875	0	39	-1.0	-44.29	312.38	3.63	-40.66
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020221875	1	39	-1.0	-44.29	312.44	3.64	-40.65
O=C(C1=NC(=O)C2=CC=CC=C2N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221876	0	38	-1.0	-46.38	320.01	2.21	-44.17
O=C(C1=NC(=O)C2=CC=CC=C2N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221876	1	38	-1.0	-46.41	320.07	2.23	-44.18
O=S1(=O)N=C(N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020221877	0	35	-1.0	-47.32	296.19	1.95	-45.37
O=S1(=O)N=C(N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020221877	1	35	-1.0	-47.32	296.25	1.97	-45.35
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221878	0	37	-1.0	-44.90	312.46	4.95	-39.95
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221878	1	37	-1.0	-44.94	312.52	4.96	-39.98
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221879	0	37	-1.0	-53.30	312.40	4.96	-48.34
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221879	1	37	-1.0	-53.31	312.46	4.98	-48.33
O=C(C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221880	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	REAL300020221880	1	35	-1.0	-43.67	302.41	4.78	-38.89
O=C(NC1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221881	0	41	-1.0	-44.29	325.68	6.70	-37.59
O=C(NC1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221881	1	41	-1.0	-44.29	325.74	6.71	-37.58
O=C(C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221882	0	38	-1.0	-42.95	322.14	3.17	-39.78
O=C(C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221882	1	38	-1.0	-42.94	322.09	3.15	-39.79
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020221883	0	40	-1.0	-49.79	324.46	4.67	-45.12
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020221883	1	40	-1.0	-49.80	324.51	4.68	-45.12
O=C(NCCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221884	0	41	-1.0	-44.29	337.81	5.29	-39.00
O=C(NCCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221884	1	41	-1.0	-44.29	337.87	5.30	-38.99
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020221885	0	38	-1.0	-45.94	311.28	0.95	-44.99
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020221885	1	38	-1.0	-45.94	311.23	0.93	-45.01
COC1=NC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221886	0	38	-1.0	-42.87	308.68	1.16	-41.71
COC1=NC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221886	1	38	-1.0	-42.87	308.62	1.15	-41.72
O=C(NC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221887	0	35	-1.0	-41.97	298.01	4.92	-37.05
O=C(NC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221887	1	35	-1.0	-41.98	298.07	4.93	-37.05
O=C(NC1=NC=C(C2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221888	0	41	-1.0	-47.36	348.31	6.57	-40.79
O=C(NC1=NC=C(C2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221888	1	41	-1.0	-47.35	348.25	6.56	-40.79
COC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)CC1)OC1=C2C=CC=C1	REAL300020221889	0	48	-1.0	-49.08	385.66	6.42	-42.66
COC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)CC1)OC1=C2C=CC=C1	REAL300020221889	1	48	-1.0	-49.10	385.72	6.44	-42.66
O=C(NC1=CC=C2C(=O)NC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221890	0	39	-1.0	-44.88	328.16	1.19	-43.69
O=C(NC1=CC=C2C(=O)NC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221890	1	39	-1.0	-44.90	328.21	1.20	-43.70
O=C(NC1=CC=CC(C2=NN=C3CCCN32)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221891	0	48	-1.0	-60.94	382.58	7.37	-53.57
O=C(NC1=CC=CC(C2=NN=C3CCCN32)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221891	1	48	-1.0	-60.95	382.63	7.38	-53.57
O=C(NC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221892	0	37	-1.0	-40.14	326.98	5.61	-34.53
O=C(NC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221892	1	37	-1.0	-40.18	327.03	5.62	-34.56
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=CC(=O)N1	REAL300020221893	0	47	-1.0	-52.88	382.11	4.70	-48.18
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=CC(=O)N1	REAL300020221893	1	47	-1.0	-52.92	382.05	4.68	-48.24
O=C(NC1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221894	0	37	-1.0	-44.53	315.74	4.91	-39.62
O=C(NC1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221894	1	37	-1.0	-44.48	315.68	4.89	-39.59
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221894	1	36	-2.0	-96.56	316.73	4.48	-92.08
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221894	1	36	-2.0	-96.55	316.68	4.47	-92.08
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221895	0	38	-2.0	-99.25	340.55	2.83	-96.42
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221895	1	38	-2.0	-99.18	340.61	2.85	-96.33
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221896	0	38	-1.0	-41.73	317.85	5.56	-36.17
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221896	1	38	-1.0	-41.73	317.90	5.57	-36.16
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221897	0	35	-1.0	-41.87	315.91	5.43	-36.44
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221897	1	35	-1.0	-41.87	315.96	5.45	-36.42
CC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020221898	0	40	-1.0	-46.20	324.69	4.66	-41.54
CC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020221898	1	40	-1.0	-46.20	324.74	4.68	-41.52
CC1=CC(C)=NC2=NC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=NN21	REAL300020221899	0	42	-1.0	-58.50	345.77	8.40	-50.10
CC1=CC(C)=NC2=NC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=NN21	REAL300020221899	1	42	-1.0	-58.50	345.83	8.41	-50.09
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221900	0	47	-1.0	-45.93	367.68	4.55	-41.38
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221900	1	47	-1.0	-45.93	367.73	4.57	-41.36
CC(C)(C)C1=CN=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020221901	0	41	-1.0	-43.58	329.41	3.48	-40.10
CC(C)(C)C1=CN=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020221901	1	41	-1.0	-43.62	329.36	3.47	-40.15
O=C(NC1=CC=CN=C1N1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221902	0	46	-1.0	-42.19	356.80	4.50	-37.69
O=C(NC1=CC=CN=C1N1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221902	1	46	-1.0	-42.23	356.85	4.52	-37.71
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221903	0	35	-1.0	-39.35	315.51	5.44	-33.91
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221903	1	35	-1.0	-39.34	315.57	5.45	-33.89
O=C(NC1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221904	0	41	-1.0	-45.42	328.77	3.41	-42.01
O=C(NC1=CC=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221904	1	41	-1.0	-45.46	328.83	3.43	-42.03
COC1=CC(OC)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020221905	0	43	-1.0	-45.56	357.27	3.57	-41.99
COC1=CC(OC)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020221905	1	43	-1.0	-45.54	357.33	3.58	-41.96
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020221906	0	41	-1.0	-51.33	344.94	1.80	-49.53
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020221906	1	41	-1.0	-51.43	345.00	1.82	-49.61
C[NH+](C)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020221907	0	47	0.0	-59.38	362.55	6.19	-53.19
C[NH+](C)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020221907	1	47	0.0	-59.38	362.61	6.21	-53.17
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221908	0	45	-1.0	-44.98	356.94	7.72	-37.26
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221908	1	45	-1.0	-45.01	357.00	7.74	-37.27
O=C(NC1=CC=C(Br)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221909	0	35	-1.0	-39.32	320.08	5.54	-33.78
O=C(NC1=CC=C(Br)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221909	1	35	-1.0	-39.26	320.13	5.56	-33.70
O=C(NC1=CC(F)=CC(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221910	0	35	-1.0	-42.41	296.88	4.42	-37.99
O=C(NC1=CC(F)=CC(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221910	1	35	-1.0	-42.42	296.93	4.43	-37.99
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221911	0	39	-1.0	-43.61	328.88	4.12	-39.49
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221911	1	39	-1.0	-43.60	328.93	4.14	-39.46
O=C(C1=NN(C2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221912	0	39	-1.0	-49.35	323.41	6.98	-42.37
O=C(C1=NN(C2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221912	1	39	-1.0	-49.32	323.35	6.97	-42.35
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=CC=C1F	REAL300020221913	0	36	-1.0	-42.58	306.19	5.41	-37.17
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC=CC=C1F	REAL300020221913	1	36	-1.0	-42.57	306.25	5.42	-37.15
O=C(NC1=CC=C([N+](=O)[O-])C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221914	0	37	-1.0	-40.89	317.22	5.09	-35.80
O=C(NC1=CC=C([N+](=O)[O-])C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221914	1	37	-1.0	-40.88	317.27	5.10	-35.78
O=C(C1=NC(C2CC2)=NC=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221915	0	38	-1.0	-40.83	336.74	4.79	-36.04
O=C(C1=NC(C2CC2)=NC=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221915	1	38	-1.0	-40.82	336.79	4.81	-36.01
CC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221916	0	38	-1.0	-43.98	317.11	5.62	-38.36
CC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221916	1	38	-1.0	-43.99	317.16	5.63	-38.36
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020221917	0	41	-1.0	-43.79	319.55	5.74	-38.05
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020221917	1	41	-1.0	-43.77	319.61	5.75	-38.02
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020221918	0	41	-1.0	-43.95	322.57	5.47	-38.48
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020221918	1	41	-1.0	-43.98	322.63	5.49	-38.49
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1OC	REAL300020221919	0	47	-1.0	-46.13	376.08	3.41	-42.72
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1OC	REAL300020221919	1	47	-1.0	-46.15	376.13	3.43	-42.72
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221920	0	35	-1.0	-41.02	306.65	4.85	-36.17
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221920	1	35	-1.0	-41.03	306.71	4.87	-36.16
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1	REAL300020221921	0	43	-1.0	-47.00	343.03	2.89	-44.11
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1	REAL300020221921	1	43	-1.0	-47.02	343.08	2.90	-44.12
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C)=C1	REAL300020221922	0	41	-1.0	-44.11	326.86	5.62	-38.49
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C)=C1	REAL300020221922	1	41	-1.0	-44.09	326.92	5.64	-38.45
O=C(NC1=CC=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221923	0	35	-1.0	-41.44	296.77	4.40	-37.04
O=C(NC1=CC=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221923	1	35	-1.0	-41.46	296.83	4.41	-37.05
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020221924	0	41	-1.0	-43.84	327.15	5.72	-38.12
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020221924	1	41	-1.0	-43.81	327.21	5.74	-38.07
O=C(NC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221925	0	35	-1.0	-42.56	305.56	4.90	-37.66
O=C(NC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221925	1	35	-1.0	-42.54	305.62	4.92	-37.62
CN1N=C(C2CC2)N=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221926	0	39	-1.0	-41.18	316.41	5.09	-36.09
CN1N=C(C2CC2)N=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221926	1	39	-1.0	-41.21	316.46	5.10	-36.11
O=C(C1=NC2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221927	0	34	-1.0	-47.62	297.67	2.02	-45.60
O=C(C1=NC2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221927	1	34	-1.0	-47.59	297.61	2.01	-45.58
O=C(N1CCOCC1)C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221928	0	41	-1.0	-43.61	328.59	2.83	-40.78
O=C(N1CCOCC1)C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221928	1	41	-1.0	-43.64	328.65	2.85	-40.79
O=C(NC1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221929	0	39	-1.0	-42.47	332.98	3.55	-38.92
O=C(NC1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221929	1	39	-1.0	-42.48	333.03	3.57	-38.91
O=C(C1=NC2=CC=C(O)C=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221930	0	36	-1.0	-43.53	313.71	2.00	-41.53
O=C(C1=NC2=CC=C(O)C=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221930	1	36	-1.0	-43.53	313.77	2.01	-41.52
CCN1C=C(C(=O)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020221931	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	REAL300020221931	1	38	-1.0	-43.52	314.79	3.15	-40.37
O=C(C1=NC2=CC(Cl)=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221932	0	35	-1.0	-41.57	319.45	5.36	-36.21
O=C(C1=NC2=CC(Cl)=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221932	1	35	-1.0	-41.60	319.39	5.35	-36.25
O=C(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCSCC1	REAL300020221933	0	39	-1.0	-39.01	317.74	4.52	-34.49
O=C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCSCC1	REAL300020221933	1	39	-1.0	-39.05	317.79	4.53	-34.52
O=C(C1=NC(Br)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221934	0	29	-1.0	-46.01	277.13	2.02	-43.99
O=C(C1=NC(Br)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221934	1	29	-1.0	-45.98	277.07	2.01	-43.97
O=C(C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221935	0	38	-1.0	-47.10	338.44	4.91	-42.19
O=C(C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221935	1	38	-1.0	-47.12	338.49	4.93	-42.19
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1	REAL300020221936	0	39	-1.0	-41.07	337.96	6.06	-35.01
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1	REAL300020221936	1	39	-1.0	-41.05	338.02	6.07	-34.98
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1	REAL300020221937	0	39	-1.0	-42.94	338.00	6.06	-36.88
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1	REAL300020221937	1	39	-1.0	-42.96	338.06	6.08	-36.88
O=C(C1=CC(Br)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221938	0	29	-1.0	-38.80	267.74	2.57	-36.23
O=C(C1=CC(Br)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221938	1	29	-1.0	-38.79	267.68	2.56	-36.23
O=C(C1=NC=C(Br)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221939	0	29	-1.0	-39.44	277.10	3.19	-36.25
O=C(C1=NC=C(Br)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221939	1	29	-1.0	-39.42	277.04	3.18	-36.24
O=C(C1=NC=C(I)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221940	0	29	-1.0	-39.40	283.39	3.62	-35.78
O=C(C1=NC=C(I)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221940	1	29	-1.0	-39.41	283.33	3.61	-35.80
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221941	0	36	-1.0	-45.54	311.95	-0.71	-46.25
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221941	1	36	-1.0	-45.54	312.00	-0.69	-46.23
CC(C)(C)N1N=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020221942	0	40	-1.0	-44.26	324.40	2.78	-41.48
CC(C)(C)N1N=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020221942	1	40	-1.0	-44.28	324.35	2.77	-41.51
COCC1=NN(C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020221943	0	39	-1.0	-42.86	319.04	2.56	-40.30
COCC1=NN(C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020221943	1	39	-1.0	-42.82	319.10	2.58	-40.24
CC1(C2=NN=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)O2)CC1	REAL300020221944	0	38	-1.0	-42.75	316.09	0.57	-42.18
CC1(C2=NN=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)O2)CC1	REAL300020221944	1	38	-1.0	-42.73	316.03	0.56	-42.17
O=C(C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221945	0	41	-1.0	-42.16	360.91	4.06	-38.10
O=C(C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221945	1	41	-1.0	-42.13	360.86	4.05	-38.08
CC1CC1C1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020221946	0	38	-1.0	-41.23	315.19	2.15	-39.08
CC1CC1C1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020221946	1	38	-1.0	-41.21	315.25	2.17	-39.04
CC(C)(C)C1=NN=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020221947	0	40	-1.0	-42.24	324.96	0.39	-41.85
CC(C)(C)C1=NN=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020221947	1	40	-1.0	-42.23	324.90	0.38	-41.85
O=C(C1=NN=C(NC2CC2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221948	0	37	-1.0	-42.95	310.39	-0.92	-43.87
O=C(C1=NN=C(NC2CC2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221948	1	37	-1.0	-42.91	310.33	-0.93	-43.84
O=C(C1=NN=C(C2=CSC=N2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221949	0	34	-1.0	-46.72	306.89	-1.59	-48.31
O=C(C1=NN=C(C2=CSC=N2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221949	1	34	-1.0	-46.72	306.95	-1.57	-48.29
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221950	0	42	-1.0	-45.86	351.47	4.43	-41.43
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221950	1	42	-1.0	-45.85	351.52	4.45	-41.40
CC(C)(C1=NN=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1)S(C)(=O)=O	REAL300020221951	0	43	-1.0	-57.37	359.77	-2.94	-60.31
CC(C)(C1=NN=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1)S(C)(=O)=O	REAL300020221951	1	43	-1.0	-57.37	359.72	-2.95	-60.32
O=C(C1=NN=C(C2=CC=NS2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221952	0	34	-1.0	-42.77	308.13	-0.72	-43.49
O=C(C1=NN=C(C2=CC=NS2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221952	1	34	-1.0	-42.78	308.19	-0.71	-43.49
O=C(C1=NN=C(C2=CC=C(F)C=N2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221953	0	37	-1.0	-43.98	324.11	-0.21	-44.19
O=C(C1=NN=C(C2=CC=C(F)C=N2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221953	1	37	-1.0	-43.98	324.17	-0.19	-44.17
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCN1C(C)C	REAL300020221954	0	45	-1.0	-43.96	347.99	5.47	-38.49
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCN1C(C)C	REAL300020221954	1	45	-1.0	-43.97	348.05	5.48	-38.49
O=C(C1=NN(C2=NC=CC=N2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221955	0	37	-1.0	-52.89	317.33	6.69	-46.20
O=C(C1=NN(C2=NC=CC=N2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221955	1	37	-1.0	-52.92	317.27	6.68	-46.24
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)OC1=C(F)C=C(Cl)C=C1F	REAL300020221956	0	37	-1.0	-42.06	343.77	6.20	-35.86
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)OC1=C(F)C=C(Cl)C=C1F	REAL300020221956	1	37	-1.0	-42.09	343.83	6.22	-35.87
O=C(NC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221957	0	37	-1.0	-40.72	304.80	2.89	-37.83
O=C(NC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221957	1	37	-1.0	-40.70	304.86	2.90	-37.80
O=C(C1=NC(Br)=NN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221958	0	29	-1.0	-39.15	266.33	2.18	-36.97
O=C(C1=NC(Br)=NN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221958	1	29	-1.0	-39.17	266.38	2.19	-36.98
O=C(C1=NN=C(C2=CC=C(F)C=C2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221959	0	38	-1.0	-41.59	328.63	1.57	-40.02
O=C(C1=NN=C(C2=CC=C(F)C=C2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221959	1	38	-1.0	-41.60	328.69	1.58	-40.02
NC1=NC(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020221960	0	34	-1.0	-43.74	300.85	2.10	-41.64
NC1=NC(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020221960	1	34	-1.0	-43.77	300.79	2.09	-41.68
O=C(C1=NN=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221961	0	31	-1.0	-39.00	291.86	2.24	-36.76
O=C(C1=NN=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221961	1	31	-1.0	-38.96	291.81	2.22	-36.74
O=C(C1=NN=C(CC2=C(F)C=CC=C2Cl)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221962	0	41	-1.0	-43.27	363.83	2.71	-40.56
O=C(C1=NN=C(CC2=C(F)C=CC=C2Cl)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221962	1	41	-1.0	-43.26	363.88	2.72	-40.54
CC1(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NO2)CC1	REAL300020221963	0	38	-1.0	-44.10	314.69	2.69	-41.41
CC1(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NO2)CC1	REAL300020221963	1	38	-1.0	-44.10	314.63	2.68	-41.42
O=C(C1=NC=CC(NC2CC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221964	0	40	-1.0	-47.46	327.75	3.72	-43.74
O=C(C1=NC=CC(NC2CC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221964	1	40	-1.0	-47.45	327.69	3.71	-43.74
O=C(NC1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221965	0	39	-1.0	-43.03	322.95	2.67	-40.36
O=C(NC1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221965	1	39	-1.0	-43.07	323.01	2.68	-40.39
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221965	1	38	-2.0	-90.01	321.90	1.82	-88.19
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221965	1	38	-2.0	-90.00	321.96	1.83	-88.17
O=C(C1=NC2=CC(F)=CC=C2N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221966	0	36	-1.0	-42.17	303.51	4.13	-38.04
O=C(C1=NC2=CC(F)=CC=C2N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221966	1	36	-1.0	-42.19	303.57	4.15	-38.04
CC1=C(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=C1	REAL300020221967	0	36	-1.0	-41.31	309.92	5.05	-36.26
CC1=C(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=C1	REAL300020221967	1	36	-1.0	-41.31	309.97	5.07	-36.24
O=C(NC1=CC=C(O)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221968	0	38	-1.0	-42.05	315.84	0.03	-42.02
O=C(NC1=CC=C(O)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221968	1	38	-1.0	-42.05	315.90	0.04	-42.01
O=C(C1=NN2C=CC=C(Br)C2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221969	0	35	-1.0	-51.28	314.46	5.10	-46.18
O=C(C1=NN2C=CC=C(Br)C2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221969	1	35	-1.0	-51.25	314.41	5.09	-46.16
NS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020221970	0	37	-1.0	-59.20	322.91	-1.68	-60.88
NS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020221970	1	37	-1.0	-59.18	322.97	-1.66	-60.84
O=C(C1=NC(=O)C2=CC=CC=C2N1)N1CCCC1C1=NN=N[N-]1	REAL300020221971	0	35	-1.0	-49.71	299.55	2.66	-47.05
O=C(C1=NC(=O)C2=CC=CC=C2N1)N1CCCC1C1=N[N-]N=N1	REAL300020221971	1	35	-1.0	-49.74	299.49	2.64	-47.10
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020221972	0	34	-1.0	-51.71	296.95	4.03	-47.68
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020221972	1	34	-1.0	-51.72	297.01	4.05	-47.67
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300020221973	0	34	-1.0	-68.12	296.71	4.06	-64.06
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300020221973	1	34	-1.0	-68.12	296.77	4.08	-64.04
O=C(NC1=CC=CC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300020221974	0	38	-1.0	-54.67	311.15	5.79	-48.88
O=C(NC1=CC=CC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300020221974	1	38	-1.0	-54.64	311.09	5.78	-48.86
CC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020221975	0	37	-1.0	-52.78	311.24	3.86	-48.92
CC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020221975	1	37	-1.0	-52.79	311.30	3.88	-48.91
O=C(NCCC1=CC=C(F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020221976	0	38	-1.0	-54.36	322.46	4.35	-50.01
O=C(NCCC1=CC=C(F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020221976	1	38	-1.0	-54.33	322.52	4.37	-49.96
O=C(NC1=NC=C(C2=CC=CC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020221977	0	38	-1.0	-59.31	332.91	5.68	-53.63
O=C(NC1=NC=C(C2=CC=CC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020221977	1	38	-1.0	-59.31	332.85	5.65	-53.66
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020221977	1	37	-2.0	-117.71	331.45	4.61	-113.10
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020221977	1	37	-2.0	-117.72	331.50	4.63	-113.09
COC1=CC2=C(C=C1NC(=O)N1CCCC1C1=N[N-]N=N1)OC1=C2C=CC=C1	REAL300020221978	0	45	-1.0	-60.87	370.64	5.49	-55.38
COC1=CC2=C(C=C1NC(=O)N1CCCC1C1=NN=N[N-]1)OC1=C2C=CC=C1	REAL300020221978	1	45	-1.0	-60.84	370.70	5.51	-55.33
O=C(NC1=CC=C2C(=O)NC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020221979	0	36	-1.0	-51.65	312.73	0.25	-51.40
O=C(NC1=CC=C2C(=O)NC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020221979	1	36	-1.0	-51.71	312.79	0.27	-51.44
O=C(NC1=CC=CC(C2=NN=C3CCCN32)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020221980	0	45	-1.0	-81.42	367.18	6.44	-74.98
O=C(NC1=CC=CC(C2=NN=C3CCCN32)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020221980	1	45	-1.0	-81.42	367.24	6.45	-74.97
O=C(NC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020221981	0	34	-1.0	-47.24	311.66	4.68	-42.56
O=C(NC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020221981	1	34	-1.0	-47.22	311.72	4.71	-42.51
CC1=NC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=CC(=O)N1	REAL300020221982	0	44	-1.0	-59.57	366.99	3.74	-55.83
CC1=NC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=CC(=O)N1	REAL300020221982	1	44	-1.0	-59.54	366.93	3.72	-55.82
O=C(NC1=NC2=CC=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020221983	0	34	-1.0	-61.58	302.33	4.39	-57.19
O=C(NC1=NC2=CC=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020221983	1	34	-1.0	-61.57	302.27	4.39	-57.18
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020221983	1	33	-2.0	-120.39	300.88	3.34	-117.05
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020221983	1	33	-2.0	-120.39	300.94	3.37	-117.02
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020221984	0	35	-2.0	-122.97	324.74	1.72	-121.25
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020221984	1	35	-2.0	-122.94	324.79	1.74	-121.20
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020221985	0	35	-1.0	-50.52	302.28	4.65	-45.87
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020221985	1	35	-1.0	-50.51	302.34	4.67	-45.84
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020221986	0	32	-1.0	-52.16	300.21	4.53	-47.63
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020221986	1	32	-1.0	-52.16	300.26	4.56	-47.60
CC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020221987	0	37	-1.0	-71.73	311.29	3.88	-67.85
CC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020221987	1	37	-1.0	-71.73	311.35	3.90	-67.83
CC1=CC(C)=NC2=NC(NC(=O)N3CCCC3C3=N[N-]N=N3)=NN21	REAL300020221988	0	39	-1.0	-71.59	330.34	7.51	-64.08
CC1=CC(C)=NC2=NC(NC(=O)N3CCCC3C3=NN=N[N-]3)=NN21	REAL300020221988	1	39	-1.0	-71.60	330.40	7.53	-64.07
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020221989	0	44	-1.0	-59.09	359.47	3.81	-55.28
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020221989	1	44	-1.0	-59.14	359.52	3.83	-55.31
O=C(NC1=CC=CN=C1N1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020221990	0	43	-1.0	-51.13	341.69	3.59	-47.54
O=C(NC1=CC=CN=C1N1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020221990	1	43	-1.0	-51.15	341.75	3.60	-47.55
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020221991	0	32	-1.0	-48.09	300.20	4.52	-43.57
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020221991	1	32	-1.0	-48.13	300.26	4.55	-43.58
O=C(NC1=CC=C2OCCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020221992	0	38	-1.0	-61.12	313.03	2.54	-58.58
O=C(NC1=CC=C2OCCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020221992	1	38	-1.0	-61.15	313.09	2.56	-58.59
COC1=CC(OC)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020221993	0	40	-1.0	-56.01	342.00	2.65	-53.36
COC1=CC(OC)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020221993	1	40	-1.0	-55.96	342.06	2.67	-53.29
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020221994	0	38	-1.0	-62.11	329.42	0.89	-61.22
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020221994	1	38	-1.0	-62.16	329.47	0.91	-61.25
C[NH+](C)CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020221995	0	44	0.0	-77.80	347.17	5.27	-72.53
C[NH+](C)CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020221995	1	44	0.0	-77.82	347.23	5.29	-72.53
CN(C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F)C1CCCCC1	REAL300020221996	0	53	-1.0	-60.12	407.76	6.03	-54.09
CN(C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F)C1CCCCC1	REAL300020221996	1	53	-1.0	-60.11	407.81	6.05	-54.06
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020221997	0	42	-1.0	-54.58	342.92	6.77	-47.81
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020221997	1	42	-1.0	-54.58	342.98	6.78	-47.80
O=C(NC1=CC=C(Br)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020221998	0	32	-1.0	-48.02	304.76	4.63	-43.39
O=C(NC1=CC=C(Br)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020221998	1	32	-1.0	-48.05	304.82	4.65	-43.40
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020221999	0	36	-1.0	-51.56	314.56	3.18	-48.38
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020221999	1	36	-1.0	-51.59	314.61	3.19	-48.40
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1=CC=CC=C1F	REAL300020222000	0	33	-1.0	-50.72	290.16	4.62	-46.10
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1=CC=CC=C1F	REAL300020222000	1	33	-1.0	-50.73	290.22	4.64	-46.09
O=C(NC1=CC=C([N+](=O)[O-])C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020222001	0	34	-1.0	-46.97	301.79	4.17	-42.80
O=C(NC1=CC=C([N+](=O)[O-])C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020222001	1	34	-1.0	-47.02	301.85	4.18	-42.84
CC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020222002	0	35	-1.0	-54.40	303.03	4.75	-49.65
CC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020222002	1	35	-1.0	-54.42	303.09	4.77	-49.65
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020222003	0	44	-1.0	-56.27	360.52	2.50	-53.77
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020222003	1	44	-1.0	-56.28	360.58	2.52	-53.76
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020222004	0	32	-1.0	-55.94	291.10	3.96	-51.98
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020222004	1	32	-1.0	-55.95	291.16	3.98	-51.97
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(OC)=C1	REAL300020222005	0	40	-1.0	-56.78	327.77	1.96	-54.82
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(OC)=C1	REAL300020222005	1	40	-1.0	-56.80	327.83	1.99	-54.81
O=C(NC1=CC=C(Br)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020222006	0	32	-1.0	-53.05	289.77	4.01	-49.04
O=C(NC1=CC=C(Br)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020222006	1	32	-1.0	-53.02	289.82	4.03	-48.99
O=C(C1=NC(Br)=NN1)N1CCCC1C1=N[N-]N=N1	REAL300020222007	0	26	-1.0	-43.65	251.01	1.29	-42.36
O=C(C1=NC(Br)=NN1)N1CCCC1C1=NN=N[N-]1	REAL300020222007	1	26	-1.0	-43.67	251.07	1.32	-42.35
O=C(NC1=NC2=C(COCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020222008	0	36	-1.0	-49.51	307.51	1.76	-47.75
O=C(NC1=NC2=C(COCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020222008	1	36	-1.0	-49.47	307.56	1.77	-47.70
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020222008	1	35	-2.0	-109.80	306.10	0.71	-109.09
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020222008	1	35	-2.0	-109.77	306.16	0.73	-109.04
COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020222009	0	39	-1.0	-46.82	341.53	2.66	-44.16
COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020222009	1	39	-1.0	-46.81	341.58	2.68	-44.13
CSCC[C@H](NC(=O)C1=NN=C(C2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020222010	0	38	-1.0	-45.10	352.78	0.23	-44.87
CSCC[C@H](NC(=O)C1=NN=C(C2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020222010	1	38	-1.0	-45.11	352.84	0.24	-44.87
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020222011	0	36	-1.0	-47.98	333.09	3.73	-44.25
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020222011	1	36	-1.0	-47.96	333.15	3.74	-44.22
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020222012	0	35	-1.0	-46.66	329.04	3.84	-42.82
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020222012	1	35	-1.0	-46.70	329.10	3.86	-42.84
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020222013	0	35	-1.0	-50.29	329.01	3.84	-46.45
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020222013	1	35	-1.0	-50.32	329.07	3.86	-46.46
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020222014	0	35	-1.0	-47.02	318.73	3.39	-43.63
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020222014	1	35	-1.0	-47.09	318.78	3.41	-43.68
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020222015	0	38	-1.0	-48.95	333.69	4.00	-44.95
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020222015	1	38	-1.0	-48.97	333.75	4.02	-44.95
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020222016	0	35	-1.0	-42.24	323.53	3.53	-38.71
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020222016	1	35	-1.0	-42.17	323.59	3.54	-38.63
CSCC[C@H](NC(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020222017	0	40	-1.0	-52.76	366.26	-1.68	-54.44
CSCC[C@H](NC(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020222017	1	40	-1.0	-52.74	366.31	-1.67	-54.41
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020222018	0	38	-1.0	-46.52	333.42	4.04	-42.48
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020222018	1	38	-1.0	-46.51	333.48	4.05	-42.46
CSCC[C@H](NC(=O)NC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020222019	0	35	-1.0	-45.33	317.12	3.45	-41.88
CSCC[C@H](NC(=O)NC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020222019	1	35	-1.0	-45.32	317.18	3.46	-41.86
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020222020	0	39	-1.0	-50.01	341.80	2.61	-47.40
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020222020	1	39	-1.0	-50.00	341.85	2.62	-47.38
CSCC[C@H](NC(=O)C1=NC(=O)C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020222021	0	38	-1.0	-47.81	345.74	1.93	-45.88
CSCC[C@H](NC(=O)C1=NC(=O)C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020222021	1	38	-1.0	-47.75	345.80	1.95	-45.80
CSCC[C@H](NC1=NS(=O)(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020222022	0	35	-1.0	-56.13	327.21	1.86	-54.27
CSCC[C@H](NC1=NS(=O)(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020222022	1	35	-1.0	-56.16	327.27	1.88	-54.28
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020222023	0	37	-1.0	-48.01	340.48	3.99	-44.02
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020222023	1	37	-1.0	-48.00	340.54	4.01	-43.99
CSCC[C@H](NC(=O)NC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020222024	0	37	-1.0	-60.30	340.49	3.99	-56.31
CSCC[C@H](NC(=O)NC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020222024	1	37	-1.0	-60.26	340.54	4.01	-56.25
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020222025	0	35	-1.0	-47.21	332.99	3.62	-43.59
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020222025	1	35	-1.0	-47.23	332.93	3.60	-43.63
CSCC[C@H](NC(=O)NC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020222026	0	41	-1.0	-48.98	354.61	5.74	-43.24
CSCC[C@H](NC(=O)NC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020222026	1	41	-1.0	-48.97	354.67	5.75	-43.22
CSCC[C@H](NC(=O)C1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300020222027	0	38	-1.0	-43.89	352.43	2.66	-41.23
CSCC[C@H](NC(=O)C1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300020222027	1	38	-1.0	-43.89	352.37	2.64	-41.25
CSCC[C@H](NC(=O)NC1=CC=C(C(C)=O)C=C1)C1=N[N-]N=N1	REAL300020222028	0	40	-1.0	-47.01	353.27	3.75	-43.26
CSCC[C@H](NC(=O)NC1=CC=C(C(C)=O)C=C1)C1=NN=N[N-]1	REAL300020222028	1	40	-1.0	-46.96	353.33	3.76	-43.20
CSCC[C@H](NC(=O)NCCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020222029	0	41	-1.0	-47.77	366.01	4.33	-43.44
CSCC[C@H](NC(=O)NCCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020222029	1	41	-1.0	-47.75	366.07	4.34	-43.41
CSCC[C@H](NC(=O)NC1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020222030	0	36	-1.0	-49.71	332.93	3.74	-45.97
CSCC[C@H](NC(=O)NC1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020222030	1	36	-1.0	-49.74	332.98	3.75	-45.99
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020222031	0	38	-1.0	-46.29	339.21	0.09	-46.20
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020222031	1	38	-1.0	-46.23	339.16	0.07	-46.16
COC1=NC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020222032	0	38	-1.0	-45.93	337.73	0.20	-45.73
COC1=NC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020222032	1	38	-1.0	-45.93	337.67	0.19	-45.74
CSCC[C@H](NC(=O)NC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020222033	0	35	-1.0	-44.91	326.11	3.97	-40.94
CSCC[C@H](NC(=O)NC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020222033	1	35	-1.0	-44.92	326.16	3.98	-40.94
CSCC[C@H](NC(=O)NC1=NC=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020222034	0	41	-1.0	-51.60	376.52	5.63	-45.97
CSCC[C@H](NC(=O)NC1=NC=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020222034	1	41	-1.0	-51.60	376.46	5.62	-45.98
CSCC[C@H](NC(=O)NC1=NC(C)=CS1)C1=N[N-]N=N1	REAL300020222035	0	34	-1.0	-43.30	318.28	2.11	-41.19
CSCC[C@H](NC(=O)NC1=NC(C)=CS1)C1=NN=N[N-]1	REAL300020222035	1	34	-1.0	-43.32	318.34	2.13	-41.19
CSCC[C@H](NC(=O)[N-]C1=NC(C)=CS1)C1=N[N-]N=N1	REAL300020222035	1	33	-2.0	-99.25	315.03	0.91	-98.34
CSCC[C@H](NC(=O)NC1=CC=C2C(=O)NC(=O)C2=C1)C1=N[N-]N=N1	REAL300020222036	0	39	-1.0	-46.07	356.58	0.19	-45.88
CSCC[C@H](NC(=O)NC1=CC=C2C(=O)NC(=O)C2=C1)C1=NN=N[N-]1	REAL300020222036	1	39	-1.0	-46.11	356.64	0.20	-45.91
CSCC[C@H](NC(=O)NC1=NC(C)=C(C)O1)C1=N[N-]N=N1	REAL300020222037	0	37	-1.0	-49.04	331.03	1.08	-47.96
CSCC[C@H](NC(=O)NC1=NC(C)=C(C)O1)C1=NN=N[N-]1	REAL300020222037	1	37	-1.0	-49.05	331.09	1.09	-47.96
CSCC[C@H](NC(=O)[N-]C1=NC(C)=C(C)O1)C1=N[N-]N=N1	REAL300020222037	1	36	-2.0	-110.83	328.52	-1.17	-112.00
CSCC[C@H](NC(=O)[N-]C1=NC(C)=C(C)O1)C1=NN=N[N-]1	REAL300020222037	1	36	-2.0	-110.85	328.58	-1.15	-112.00
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NN=C3CCCN32)=C1)C1=N[N-]N=N1	REAL300020222038	0	48	-1.0	-66.01	410.70	6.40	-59.61
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NN=C3CCCN32)=C1)C1=NN=N[N-]1	REAL300020222038	1	48	-1.0	-65.97	410.76	6.41	-59.56
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL300020222039	0	37	-1.0	-41.57	355.20	4.67	-36.90
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL300020222039	1	37	-1.0	-41.60	355.26	4.68	-36.92
CSCC[C@H](NC(=O)NC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020222040	0	37	-1.0	-53.51	345.96	4.37	-49.14
CSCC[C@H](NC(=O)NC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020222040	1	37	-1.0	-53.49	345.90	4.36	-49.13
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020222040	1	36	-2.0	-109.91	342.65	3.17	-106.74
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020222040	1	36	-2.0	-109.88	342.71	3.18	-106.70
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CC=N2)S1)C1=N[N-]N=N1	REAL300020222041	0	38	-2.0	-112.26	366.50	1.54	-110.72
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CC=N2)S1)C1=NN=N[N-]1	REAL300020222041	1	38	-2.0	-112.28	366.56	1.55	-110.73
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020222042	0	35	-1.0	-52.05	318.70	3.39	-48.66
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020222042	1	35	-1.0	-52.09	318.76	3.41	-48.68
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020222043	0	38	-1.0	-44.17	345.96	4.60	-39.57
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020222043	1	38	-1.0	-44.16	346.02	4.61	-39.55
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL300020222044	0	35	-1.0	-45.42	342.82	4.48	-40.94
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL300020222044	1	35	-1.0	-45.42	342.88	4.49	-40.93
CSCC[C@H](NC(=O)NC1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL300020222045	0	40	-1.0	-56.97	353.31	3.77	-53.20
CSCC[C@H](NC(=O)NC1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL300020222045	1	40	-1.0	-56.97	353.37	3.78	-53.19
CSCC[C@H](NC(=O)NC1=NN2C(=N1)N=C(C)C=C2C)C1=N[N-]N=N1	REAL300020222046	0	42	-1.0	-63.36	374.22	7.47	-55.89
CSCC[C@H](NC(=O)NC1=NN2C(=N1)N=C(C)C=C2C)C1=NN=N[N-]1	REAL300020222046	1	42	-1.0	-63.36	374.28	7.48	-55.88
CSCC[C@H](NC(=O)NC1=C(C)N(C(C)C)N=C1C)C1=N[N-]N=N1	REAL300020222047	0	47	-1.0	-49.99	397.54	3.54	-46.45
CSCC[C@H](NC(=O)NC1=C(C)N(C(C)C)N=C1C)C1=NN=N[N-]1	REAL300020222047	1	47	-1.0	-50.02	397.59	3.56	-46.46
CSCC[C@H](NC(=O)C1=NC=C(C(C)(C)C)O1)C1=NN=N[N-]1	REAL300020222048	0	41	-1.0	-46.73	359.72	1.87	-44.86
CSCC[C@H](NC(=O)C1=NC=C(C(C)(C)C)O1)C1=N[N-]N=N1	REAL300020222048	1	41	-1.0	-46.72	359.67	1.86	-44.86
CSCC[C@H](NC(=O)NC1=CC=CN=C1N1CCCC1)C1=N[N-]N=N1	REAL300020222049	0	46	-1.0	-45.12	385.23	3.54	-41.58
CSCC[C@H](NC(=O)NC1=CC=CN=C1N1CCCC1)C1=NN=N[N-]1	REAL300020222049	1	46	-1.0	-45.18	385.29	3.55	-41.63
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020222050	0	35	-1.0	-42.00	343.74	4.51	-37.49
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020222050	1	35	-1.0	-42.05	343.80	4.52	-37.53
CSCC[C@H](NC(=O)NC1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020222051	0	41	-1.0	-53.28	356.55	2.50	-50.78
CSCC[C@H](NC(=O)NC1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020222051	1	41	-1.0	-53.30	356.61	2.52	-50.78
COC1=CC(OC)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020222052	0	43	-1.0	-50.63	386.34	2.62	-48.01
COC1=CC(OC)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020222052	1	43	-1.0	-50.59	386.39	2.64	-47.95
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020222053	0	41	-1.0	-55.76	372.95	0.86	-54.90
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020222053	1	41	-1.0	-55.72	373.01	0.87	-54.85
CSCC[C@H](NC(=O)NC1=CC=CC(C[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300020222054	0	47	0.0	-70.82	390.42	5.27	-65.55
CSCC[C@H](NC(=O)NC1=CC=CC(C[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300020222054	1	47	0.0	-70.80	390.47	5.28	-65.52
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020222055	0	45	-1.0	-50.22	386.45	6.75	-43.47
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020222055	1	45	-1.0	-50.24	386.51	6.76	-43.48
CSCC[C@H](NC(=O)NC1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL300020222056	0	35	-1.0	-45.77	324.84	3.50	-42.27
CSCC[C@H](NC(=O)NC1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL300020222056	1	35	-1.0	-45.75	324.90	3.51	-42.24
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020222057	0	39	-1.0	-45.33	358.29	3.11	-42.22
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020222057	1	39	-1.0	-45.31	358.35	3.12	-42.19
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020222058	0	39	-1.0	-53.98	354.01	5.79	-48.19
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020222058	1	39	-1.0	-53.98	353.95	5.78	-48.20
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020222059	0	36	-1.0	-47.88	336.41	4.87	-43.01
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020222059	1	36	-1.0	-47.85	336.35	4.86	-42.99
CSCC[C@H](NC(=O)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020222060	0	38	-1.0	-42.05	330.99	3.59	-38.46
CSCC[C@H](NC(=O)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020222060	1	38	-1.0	-42.07	331.05	3.60	-38.47
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300020222061	0	37	-1.0	-41.86	345.31	4.12	-37.74
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300020222061	1	37	-1.0	-41.89	345.36	4.13	-37.76
CSCC[C@H](NC(=O)C1=NC(C2CC2)=NC=C1Br)C1=N[N-]N=N1	REAL300020222062	0	38	-1.0	-43.01	358.65	4.44	-38.57
CSCC[C@H](NC(=O)C1=NC(C2CC2)=NC=C1Br)C1=NN=N[N-]1	REAL300020222062	1	38	-1.0	-43.02	358.71	4.45	-38.57
COCC1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NO1	REAL300020222063	0	35	-1.0	-48.79	326.62	-1.36	-50.15
COCC1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NO1	REAL300020222063	1	35	-1.0	-48.79	326.68	-1.34	-50.13
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1C)C1=N[N-]N=N1	REAL300020222064	0	38	-1.0	-47.06	347.53	4.77	-42.29
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1C)C1=NN=N[N-]1	REAL300020222064	1	38	-1.0	-47.09	347.59	4.78	-42.31
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1C)C1=N[N-]N=N1	REAL300020222065	0	41	-1.0	-46.86	346.81	4.73	-42.13
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1C)C1=NN=N[N-]1	REAL300020222065	1	41	-1.0	-46.86	346.87	4.75	-42.11
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300020222066	0	41	-1.0	-46.89	350.70	4.54	-42.35
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300020222066	1	41	-1.0	-46.92	350.76	4.55	-42.37
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020222067	0	47	-1.0	-48.87	404.21	2.47	-46.40
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020222067	1	47	-1.0	-48.90	404.27	2.48	-46.42
CSCC[C@H](NC(=O)NC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020222068	0	35	-1.0	-43.25	334.61	3.92	-39.33
CSCC[C@H](NC(=O)NC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020222068	1	35	-1.0	-43.24	334.67	3.94	-39.30
COC1=CC(OC)=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020222069	0	43	-1.0	-49.71	371.28	1.93	-47.78
COC1=CC(OC)=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020222069	1	43	-1.0	-49.67	371.33	1.95	-47.72
CSCC[C@H](NC(=O)NC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300020222070	0	41	-1.0	-46.93	355.11	4.67	-42.26
CSCC[C@H](NC(=O)NC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300020222070	1	41	-1.0	-46.92	355.17	4.68	-42.24
CSCC[C@H](NC(=O)NC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020222071	0	35	-1.0	-43.33	324.73	3.47	-39.86
CSCC[C@H](NC(=O)NC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020222071	1	35	-1.0	-43.35	324.79	3.49	-39.86
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020222072	0	41	-1.0	-48.77	355.17	4.77	-44.00
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020222072	1	41	-1.0	-48.77	355.23	4.78	-43.99
CSCC[C@H](NC(=O)NC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020222073	0	35	-1.0	-46.57	333.60	3.95	-42.62
CSCC[C@H](NC(=O)NC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020222073	1	35	-1.0	-46.56	333.66	3.96	-42.60
CSCC[C@H](NC(=O)NC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020222074	0	38	-1.0	-46.69	330.80	4.25	-42.44
CSCC[C@H](NC(=O)NC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020222074	1	38	-1.0	-46.72	330.85	4.26	-42.46
CSCC[C@H](NC(=O)C1=NC(C2CC2)=NN1C)C1=N[N-]N=N1	REAL300020222075	0	39	-1.0	-42.60	346.93	3.90	-38.70
CSCC[C@H](NC(=O)C1=NC(C2CC2)=NN1C)C1=NN=N[N-]1	REAL300020222075	1	39	-1.0	-42.60	346.98	3.92	-38.68
CSCC[C@H](NC(=O)C1=NC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL300020222076	0	34	-1.0	-50.16	326.99	1.66	-48.50
CSCC[C@H](NC(=O)C1=NC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL300020222076	1	34	-1.0	-50.17	326.94	1.64	-48.53
CSCC[C@H](NC(=O)C(F)(F)C(=O)N1CCOCC1)C1=N[N-]N=N1	REAL300020222077	0	41	-1.0	-47.28	357.71	2.43	-44.85
CSCC[C@H](NC(=O)C(F)(F)C(=O)N1CCOCC1)C1=NN=N[N-]1	REAL300020222077	1	41	-1.0	-47.31	357.77	2.44	-44.87
CSCC[C@H](NC(=O)C(=O)NC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020222078	0	39	-1.0	-46.30	362.91	3.00	-43.30
CSCC[C@H](NC(=O)C(=O)NC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020222078	1	39	-1.0	-46.32	362.97	3.02	-43.30
CSCC[C@H](NC(=O)C1=NC2=CC=C(O)C=C2S1)C1=N[N-]N=N1	REAL300020222079	0	36	-1.0	-46.94	343.95	0.76	-46.18
CSCC[C@H](NC(=O)C1=NC2=CC=C(O)C=C2S1)C1=NN=N[N-]1	REAL300020222079	1	36	-1.0	-46.91	344.00	0.77	-46.14
CSCC[C@H](NC(=O)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020222080	0	38	-1.0	-42.05	330.99	3.59	-38.46
CSCC[C@H](NC(=O)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020222080	1	38	-1.0	-42.07	331.05	3.60	-38.47
CCN1C=C(C(=O)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020222081	0	38	-1.0	-45.80	344.60	2.56	-43.24
CCN1C=C(C(=O)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020222081	1	38	-1.0	-45.81	344.65	2.58	-43.23
CSCC[C@H](NC(=O)C1=NC2=CC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL300020222082	0	35	-1.0	-44.03	349.69	4.12	-39.91
CSCC[C@H](NC(=O)C1=NC2=CC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL300020222082	1	35	-1.0	-44.00	349.63	4.11	-39.89
CSCC[C@H](NC(=O)C(=O)C1CCSCC1)C1=N[N-]N=N1	REAL300020222083	0	39	-1.0	-39.98	347.78	3.94	-36.04
CSCC[C@H](NC(=O)C(=O)C1CCSCC1)C1=NN=N[N-]1	REAL300020222083	1	39	-1.0	-40.01	347.84	3.96	-36.05
CSCC[C@H](NC(=O)C1=NC(Br)=CS1)C1=NN=N[N-]1	REAL300020222084	0	29	-1.0	-47.71	306.55	1.65	-46.06
CSCC[C@H](NC(=O)C1=NC(Br)=CS1)C1=N[N-]N=N1	REAL300020222084	1	29	-1.0	-47.70	306.49	1.64	-46.06
CSCC[C@H](NC(=O)C1=NN=C(C2=C(F)C=CC=C2F)S1)C1=N[N-]N=N1	REAL300020222085	0	38	-1.0	-49.64	368.72	3.96	-45.68
CSCC[C@H](NC(=O)C1=NN=C(C2=C(F)C=CC=C2F)S1)C1=NN=N[N-]1	REAL300020222085	1	38	-1.0	-49.65	368.78	3.97	-45.68
CSCC[C@H](NC(=O)C1=NC(C2CC2)=NO1)C1=N[N-]N=N1	REAL300020222086	0	35	-1.0	-42.60	324.45	1.08	-41.52
CSCC[C@H](NC(=O)C1=NC(C2CC2)=NO1)C1=NN=N[N-]1	REAL300020222086	1	35	-1.0	-42.61	324.51	1.10	-41.51
CSCC[C@H](NC(=O)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020222087	0	39	-1.0	-41.31	368.61	5.48	-35.83
CSCC[C@H](NC(=O)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020222087	1	39	-1.0	-41.34	368.55	5.47	-35.87
CSCC[C@H](NC(=O)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020222088	0	39	-1.0	-44.88	368.62	5.48	-39.40
CSCC[C@H](NC(=O)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020222088	1	39	-1.0	-44.88	368.56	5.46	-39.42
CSCC[C@H](NC(=O)C1=CC(Br)=NO1)C1=NN=N[N-]1	REAL300020222089	0	29	-1.0	-39.33	298.04	2.01	-37.32
CSCC[C@H](NC(=O)C1=CC(Br)=NO1)C1=N[N-]N=N1	REAL300020222089	1	29	-1.0	-39.32	297.98	1.99	-37.33
CSCC[C@H](NC(=O)C1=NC=C(Br)S1)C1=NN=N[N-]1	REAL300020222090	0	29	-1.0	-44.51	306.65	1.88	-42.63
CSCC[C@H](NC(=O)C1=NC=C(Br)S1)C1=N[N-]N=N1	REAL300020222090	1	29	-1.0	-44.48	306.59	1.87	-42.61
CSCC[C@H](NC(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=N[N-]N=N1	REAL300020222091	0	36	-1.0	-46.89	342.50	-1.11	-48.00
CSCC[C@H](NC(=O)C1=NC(C2=CN=CC=N2)=NO1)C1=NN=N[N-]1	REAL300020222091	1	36	-1.0	-46.87	342.55	-1.09	-47.96
CSCC[C@H](NC(=O)C1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300020222092	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	REAL300020222092	1	40	-1.0	-46.83	354.74	1.86	-44.97
COCC1=NN(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020222093	0	39	-1.0	-44.21	349.26	1.37	-42.84
COCC1=NN(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020222093	1	39	-1.0	-44.18	349.32	1.38	-42.80
CSCC[C@H](NC(=O)C1=NN=C(C2(C)CC2)O1)C1=NN=N[N-]1	REAL300020222094	0	38	-1.0	-44.49	346.40	-0.75	-45.24
CSCC[C@H](NC(=O)C1=NN=C(C2(C)CC2)O1)C1=N[N-]N=N1	REAL300020222094	1	38	-1.0	-44.49	346.34	-0.76	-45.25
CSCC[C@H](NC(=O)C1=NC(C2CC2C)=NO1)C1=N[N-]N=N1	REAL300020222095	0	38	-1.0	-42.39	345.84	1.76	-40.63
CSCC[C@H](NC(=O)C1=NC(C2CC2C)=NO1)C1=NN=N[N-]1	REAL300020222095	1	38	-1.0	-42.38	345.89	1.78	-40.60
CSCC[C@H](NC(=O)C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300020222096	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	REAL300020222096	1	35	-1.0	-44.33	324.84	-1.15	-45.48
CSCC[C@H](NC(=O)C1=NN=C(C(C)(C)C)O1)C1=NN=N[N-]1	REAL300020222097	0	40	-1.0	-43.99	355.29	-0.92	-44.91
CSCC[C@H](NC(=O)C1=NN=C(C(C)(C)C)O1)C1=N[N-]N=N1	REAL300020222097	1	40	-1.0	-43.98	355.23	-0.93	-44.91
CSCC[C@H](NC(=O)C1=C2N=CNC2=NC=N1)C1=N[N-]N=N1	REAL300020222098	0	34	-1.0	-54.08	315.08	2.97	-51.11
CSCC[C@H](NC(=O)C1=C2N=CNC2=NC=N1)C1=NN=N[N-]1	REAL300020222098	1	34	-1.0	-54.09	315.14	2.98	-51.11
CSCC[C@H](NC(=O)C1=NN=C(NC2CC2)O1)C1=NN=N[N-]1	REAL300020222099	0	37	-1.0	-44.86	340.76	-2.21	-47.07
CSCC[C@H](NC(=O)C1=NN=C(NC2CC2)O1)C1=N[N-]N=N1	REAL300020222099	1	37	-1.0	-44.85	340.70	-2.23	-47.08
CSCC[C@H](NC(=O)C1=NN=C(C2=CSC=N2)O1)C1=N[N-]N=N1	REAL300020222100	0	34	-1.0	-49.08	337.55	-2.86	-51.94
CSCC[C@H](NC(=O)C1=NN=C(C2=CSC=N2)O1)C1=NN=N[N-]1	REAL300020222100	1	34	-1.0	-49.14	337.61	-2.85	-51.99
CSCC[C@H](NC(=O)C(=O)NC1=CC([N+](=O)[O-])=CC=C1C)C1=N[N-]N=N1	REAL300020222101	0	42	-1.0	-48.34	381.73	3.90	-44.44
CSCC[C@H](NC(=O)C(=O)NC1=CC([N+](=O)[O-])=CC=C1C)C1=NN=N[N-]1	REAL300020222101	1	42	-1.0	-48.33	381.78	3.91	-44.42
CSCC[C@H](NC(=O)C1=NN=C(C(C)(C)S(C)(=O)=O)O1)C1=NN=N[N-]1	REAL300020222102	0	43	-1.0	-59.57	390.11	-4.23	-63.80
CSCC[C@H](NC(=O)C1=NN=C(C(C)(C)S(C)(=O)=O)O1)C1=N[N-]N=N1	REAL300020222102	1	43	-1.0	-59.53	390.06	-4.25	-63.78
COC1=NC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020222103	0	35	-1.0	-45.55	322.01	-1.06	-46.61
COC1=NC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020222103	1	35	-1.0	-45.53	321.96	-1.07	-46.60
CSCC[C@H](NC(=O)C1=NN=C(C2=CC=NS2)O1)C1=N[N-]N=N1	REAL300020222104	0	34	-1.0	-44.38	338.71	-2.03	-46.41
CSCC[C@H](NC(=O)C1=NN=C(C2=CC=NS2)O1)C1=NN=N[N-]1	REAL300020222104	1	34	-1.0	-44.41	338.76	-2.01	-46.42
CSCC[C@H](NC(=O)C1=NN=C(C2=CC=C(F)C=N2)O1)C1=N[N-]N=N1	REAL300020222105	0	37	-1.0	-45.77	354.44	-1.52	-47.29
CSCC[C@H](NC(=O)C1=NN=C(C2=CC=C(F)C=N2)O1)C1=NN=N[N-]1	REAL300020222105	1	37	-1.0	-45.75	354.49	-1.51	-47.26
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C)CC1)C1=N[N-]N=N1	REAL300020222106	0	45	-1.0	-48.33	370.69	5.04	-43.29
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C)CC1)C1=NN=N[N-]1	REAL300020222106	1	45	-1.0	-48.32	370.75	5.05	-43.27
CSCC[C@H](NC(=O)C1=NN(C2=NC=CC=N2)C=N1)C1=NN=N[N-]1	REAL300020222107	0	37	-1.0	-56.38	347.72	5.49	-50.89
CSCC[C@H](NC(=O)C1=NN(C2=NC=CC=N2)C=N1)C1=N[N-]N=N1	REAL300020222107	1	37	-1.0	-56.35	347.66	5.47	-50.88
CSCC[C@H](NC(=O)C(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020222108	0	37	-1.0	-42.13	334.70	2.33	-39.80
CSCC[C@H](NC(=O)C(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020222108	1	37	-1.0	-42.14	334.76	2.35	-39.79
CNC1=CC=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020222109	0	36	-1.0	-51.44	325.66	1.26	-50.18
CNC1=CC=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020222109	1	36	-1.0	-51.40	325.61	1.24	-50.16
CSCC[C@H](NC(=O)C1=NC(Br)=NN1)C1=N[N-]N=N1	REAL300020222110	0	29	-1.0	-39.23	296.91	0.99	-38.24
CSCC[C@H](NC(=O)C1=NC(Br)=NN1)C1=NN=N[N-]1	REAL300020222110	1	29	-1.0	-39.26	296.97	1.01	-38.25
CSCC[C@H](NC(=O)NC1=CC=NC(C)=C1)C1=N[N-]N=N1	REAL300020222111	0	37	-1.0	-46.10	328.54	2.22	-43.88
CSCC[C@H](NC(=O)NC1=CC=NC(C)=C1)C1=NN=N[N-]1	REAL300020222111	1	37	-1.0	-46.10	328.60	2.24	-43.86
CCNC1=NN=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020222112	0	36	-1.0	-45.12	330.49	-3.15	-48.27
CCNC1=NN=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020222112	1	36	-1.0	-45.13	330.43	-3.16	-48.29
CSCC[C@H](NC(=O)C1=NN=C(C2=CC=C(F)C=C2)O1)C1=N[N-]N=N1	REAL300020222113	0	38	-1.0	-42.69	359.18	0.30	-42.39
CSCC[C@H](NC(=O)C1=NN=C(C2=CC=C(F)C=C2)O1)C1=NN=N[N-]1	REAL300020222113	1	38	-1.0	-42.71	359.24	0.32	-42.39
CSCC[C@H](NC(=O)C(F)(F)C1=CSC(N)=N1)C1=NN=N[N-]1	REAL300020222114	0	34	-1.0	-46.71	331.01	1.48	-45.23
CSCC[C@H](NC(=O)C(F)(F)C1=CSC(N)=N1)C1=N[N-]N=N1	REAL300020222114	1	34	-1.0	-46.67	330.95	1.47	-45.20
CSCC[C@H](NC(=O)C1=NN=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL300020222115	0	31	-1.0	-39.23	322.15	1.26	-37.97
CSCC[C@H](NC(=O)C1=NN=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL300020222115	1	31	-1.0	-39.25	322.09	1.25	-38.00
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020222116	0	35	-1.0	-48.48	323.41	1.46	-47.02
CSCC[C@H](NC(=O)C1=NC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020222116	1	35	-1.0	-48.49	323.35	1.45	-47.04
CSCC[C@H](NC(=O)C1=CN=C2NC=CC=C12)C1=NN=N[N-]1	REAL300020222117	0	36	-1.0	-64.05	322.59	3.45	-60.60
CSCC[C@H](NC(=O)C1=CN=C2NC=CC=C12)C1=N[N-]N=N1	REAL300020222117	1	36	-1.0	-64.06	322.54	3.43	-60.63
CSCC[C@H](NC(=O)C1=NOC(C2(C)CC2)=N1)C1=NN=N[N-]1	REAL300020222118	0	38	-1.0	-47.49	344.97	1.76	-45.73
CSCC[C@H](NC(=O)C1=NOC(C2(C)CC2)=N1)C1=N[N-]N=N1	REAL300020222118	1	38	-1.0	-47.48	344.91	1.75	-45.73
CSCC[C@H](NC(=O)C1=NC=CC(NC2CC2)=N1)C1=NN=N[N-]1	REAL300020222119	0	40	-1.0	-51.18	356.36	2.92	-48.26
CSCC[C@H](NC(=O)C1=NC=CC(NC2CC2)=N1)C1=N[N-]N=N1	REAL300020222119	1	40	-1.0	-51.16	356.30	2.90	-48.26
CSCC[C@H](NC(=O)NC1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL300020222120	0	39	-1.0	-44.33	351.12	1.72	-42.61
CSCC[C@H](NC(=O)NC1=NC2=C(COCC2)S1)C1=NN=N[N-]1	REAL300020222120	1	39	-1.0	-44.33	351.18	1.74	-42.59
CSCC[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL300020222120	1	38	-2.0	-101.14	347.88	0.52	-100.62
CSCC[C@H](NC(=O)C1=NC2=CC(F)=CC=C2N1)C1=N[N-]N=N1	REAL300020222121	0	36	-1.0	-43.58	333.83	2.94	-40.64
CSCC[C@H](NC(=O)C1=NC2=CC(F)=CC=C2N1)C1=NN=N[N-]1	REAL300020222121	1	36	-1.0	-43.55	333.89	2.95	-40.60
CSCC[C@H](NC(=O)C(F)(F)C1=C(C)C=CS1)C1=NN=N[N-]1	REAL300020222122	0	36	-1.0	-44.16	340.04	4.53	-39.63
CSCC[C@H](NC(=O)C(F)(F)C1=C(C)C=CS1)C1=N[N-]N=N1	REAL300020222122	1	36	-1.0	-44.15	339.99	4.51	-39.64
CSCC[C@H](NC(=O)C(=O)NC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL300020222123	0	38	-1.0	-43.05	345.74	-0.53	-43.58
CSCC[C@H](NC(=O)C(=O)NC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL300020222123	1	38	-1.0	-43.06	345.80	-0.51	-43.57
CSCC[C@H](NC(=O)C1=NN2C=CC=C(Br)C2=N1)C1=NN=N[N-]1	REAL300020222124	0	35	-1.0	-54.63	345.02	4.24	-50.39
CSCC[C@H](NC(=O)C1=NN2C=CC=C(Br)C2=N1)C1=N[N-]N=N1	REAL300020222124	1	35	-1.0	-54.70	344.96	4.23	-50.47
O=C(C1=NN=C(C2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222125	0	35	-1.0	-40.95	308.29	0.62	-40.33
O=C(C1=NN=C(C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222125	1	35	-1.0	-40.96	308.37	0.62	-40.34
NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222126	0	37	-1.0	-50.28	324.02	-1.59	-51.87
NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222126	1	37	-1.0	-50.33	324.10	-1.59	-51.92
O=C(C1=NC(=O)C2=CC=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222127	0	35	-1.0	-44.37	300.66	2.63	-41.74
O=C(C1=NC(=O)C2=CC=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222127	1	35	-1.0	-44.35	300.73	2.64	-41.71
O=S1(=O)N=C(N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020222128	0	32	-1.0	-53.16	280.40	1.38	-51.78
O=S1(=O)N=C(N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020222128	1	32	-1.0	-53.16	280.32	1.36	-51.80
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222129	0	34	-1.0	-44.87	298.36	4.08	-40.79
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222129	1	34	-1.0	-44.86	298.43	4.10	-40.76
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222130	0	34	-1.0	-53.38	298.34	4.09	-49.29
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222130	1	34	-1.0	-53.38	298.42	4.10	-49.28
O=C(C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222131	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	REAL300020222131	1	32	-1.0	-46.08	284.80	3.18	-42.90
O=C(NC1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020222132	0	38	-1.0	-44.70	313.42	5.86	-38.84
O=C(NC1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020222132	1	38	-1.0	-44.76	313.49	5.88	-38.88
O=C(C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222133	0	35	-1.0	-40.53	308.11	2.47	-38.06
O=C(C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222133	1	35	-1.0	-40.53	308.04	2.47	-38.06
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222134	0	37	-1.0	-44.51	310.37	3.83	-40.68
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222134	1	37	-1.0	-44.53	310.44	3.84	-40.69
O=C(NCCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222135	0	38	-1.0	-45.22	323.86	4.41	-40.81
O=C(NCCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222135	1	38	-1.0	-45.26	323.94	4.42	-40.84
O=C(NC1=NC=C(C2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222136	0	38	-1.0	-48.28	334.39	5.73	-42.55
O=C(NC1=NC=C(C2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222136	1	38	-1.0	-48.26	334.32	5.72	-42.54
COC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)C1)OC1=C2C=CC=C1	REAL300020222137	0	45	-1.0	-49.91	372.00	5.55	-44.36
COC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)C1)OC1=C2C=CC=C1	REAL300020222137	1	45	-1.0	-49.92	372.08	5.56	-44.36
O=C(NC1=CC=C2C(=O)NC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222138	0	36	-1.0	-44.06	314.43	0.28	-43.78
O=C(NC1=CC=C2C(=O)NC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222138	1	36	-1.0	-44.08	314.51	0.29	-43.79
O=C(NC1=CC=CC(C2=NN=C3CCCN32)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222139	0	45	-1.0	-64.01	367.50	6.44	-57.57
O=C(NC1=CC=CC(C2=NN=C3CCCN32)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222139	1	45	-1.0	-64.00	367.58	6.46	-57.54
O=C(NC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020222140	0	34	-1.0	-40.15	313.02	4.74	-35.41
O=C(NC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020222140	1	34	-1.0	-40.17	313.09	4.75	-35.42
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=CC(=O)N1	REAL300020222141	0	44	-1.0	-50.91	368.39	3.80	-47.11
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=CC(=O)N1	REAL300020222141	1	44	-1.0	-50.92	368.32	3.78	-47.14
O=C(NC1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222142	0	34	-1.0	-43.29	301.74	4.04	-39.25
O=C(NC1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222142	1	34	-1.0	-43.26	301.66	4.02	-39.24
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222142	1	33	-2.0	-92.94	299.61	2.98	-89.96
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222142	1	33	-2.0	-92.95	299.54	2.98	-89.97
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222143	0	35	-2.0	-100.56	325.47	1.77	-98.79
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222143	1	35	-2.0	-100.62	325.55	1.78	-98.84
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020222144	0	35	-1.0	-41.65	304.73	4.72	-36.93
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020222144	1	35	-1.0	-41.69	304.80	4.74	-36.95
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020222145	0	32	-1.0	-41.73	301.55	4.59	-37.14
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020222145	1	32	-1.0	-41.79	301.62	4.60	-37.19
CC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222146	0	37	-1.0	-55.15	311.14	3.87	-51.28
CC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222146	1	37	-1.0	-55.20	311.21	3.88	-51.32
CC1=CC(C)=NC2=NC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=NN21	REAL300020222147	0	39	-1.0	-58.76	332.05	7.57	-51.19
CC1=CC(C)=NC2=NC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=NN21	REAL300020222147	1	39	-1.0	-58.78	332.13	7.59	-51.19
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020222148	0	44	-1.0	-47.94	352.68	3.64	-44.30
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020222148	1	44	-1.0	-47.93	352.76	3.66	-44.27
O=C(NC1=CC=CN=C1N1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222149	0	43	-1.0	-42.18	340.59	4.02	-38.16
O=C(NC1=CC=CN=C1N1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222149	1	43	-1.0	-42.21	340.66	4.04	-38.17
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020222150	0	32	-1.0	-39.53	301.55	4.58	-34.95
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020222150	1	32	-1.0	-39.54	301.62	4.59	-34.95
O=C(NC1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222151	0	38	-1.0	-45.17	314.38	2.59	-42.58
O=C(NC1=CC=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222151	1	38	-1.0	-45.15	314.46	2.60	-42.55
COC1=CC(OC)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020222152	0	40	-1.0	-46.26	344.18	2.70	-43.56
COC1=CC(OC)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020222152	1	40	-1.0	-46.25	344.25	2.71	-43.54
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222153	0	38	-1.0	-52.43	330.81	0.94	-51.49
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222153	1	38	-1.0	-52.40	330.88	0.95	-51.45
C[NH+](C)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222154	0	44	0.0	-73.00	348.26	5.35	-67.65
C[NH+](C)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222154	1	44	0.0	-73.00	348.34	5.36	-67.64
CN(C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F)C1CCCCC1	REAL300020222155	0	53	-1.0	-41.87	409.16	6.09	-35.78
CN(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F)C1CCCCC1	REAL300020222155	1	53	-1.0	-41.90	409.23	6.09	-35.81
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222156	0	42	-1.0	-45.53	344.30	6.83	-38.70
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222156	1	42	-1.0	-45.51	344.37	6.85	-38.66
O=C(NC1=CC=C(Br)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020222157	0	32	-1.0	-39.42	306.11	4.68	-34.74
O=C(NC1=CC=C(Br)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020222157	1	32	-1.0	-39.46	306.19	4.70	-34.76
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222158	0	36	-1.0	-43.78	316.19	3.21	-40.57
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222158	1	36	-1.0	-43.83	316.26	3.21	-40.62
O=C(C1=NN(C2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222159	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	REAL300020222159	1	36	-1.0	-49.24	309.40	6.09	-43.15
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC=C1F	REAL300020222160	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	REAL300020222160	1	33	-1.0	-42.00	291.64	4.68	-37.32
O=C(NC1=CC=C([N+](=O)[O-])C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020222161	0	34	-1.0	-40.33	303.96	4.20	-36.13
O=C(NC1=CC=C([N+](=O)[O-])C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020222161	1	34	-1.0	-40.35	304.04	4.22	-36.13
O=C(C1=NC(C2CC2)=NC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020222162	0	35	-1.0	-39.62	313.59	4.78	-34.84
O=C(C1=NC(C2CC2)=NC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020222162	1	35	-1.0	-39.64	313.67	4.79	-34.85
CC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020222163	0	35	-1.0	-45.33	304.36	4.80	-40.53
CC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020222163	1	35	-1.0	-45.33	304.44	4.82	-40.51
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020222164	0	44	-1.0	-46.66	362.04	2.56	-44.10
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020222164	1	44	-1.0	-46.69	362.12	2.57	-44.12
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222165	0	32	-1.0	-45.23	292.48	4.02	-41.21
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222165	1	32	-1.0	-45.22	292.55	4.02	-41.20
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020222166	0	40	-1.0	-47.34	329.11	2.03	-45.31
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020222166	1	40	-1.0	-47.37	329.19	2.04	-45.33
O=C(NC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222167	0	32	-1.0	-42.57	291.12	4.06	-38.51
O=C(NC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222167	1	32	-1.0	-42.60	291.20	4.08	-38.52
O=C(C1=NC2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222168	0	31	-1.0	-46.08	279.62	1.29	-44.79
O=C(C1=NC2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222168	1	31	-1.0	-46.07	279.55	1.29	-44.78
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C(=O)N1CCOCC1	REAL300020222169	0	38	-1.0	-44.21	312.94	2.26	-41.95
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C(=O)N1CCOCC1	REAL300020222169	1	38	-1.0	-44.22	313.02	2.26	-41.96
O=C(NC1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020222170	0	36	-1.0	-44.99	318.43	2.97	-42.02
O=C(NC1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020222170	1	36	-1.0	-44.99	318.51	2.98	-42.01
O=C(C1=NC2=CC=C(O)C=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222171	0	33	-1.0	-42.63	299.41	1.07	-41.56
O=C(C1=NC2=CC=C(O)C=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222171	1	33	-1.0	-42.65	299.48	1.08	-41.57
O=C(C1=NC2=CC(Cl)=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222172	0	32	-1.0	-44.18	301.57	3.69	-40.49
O=C(C1=NC2=CC(Cl)=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222172	1	32	-1.0	-44.13	301.49	3.68	-40.45
O=C(C1=NC(Br)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222173	0	26	-1.0	-39.45	262.78	2.05	-37.40
O=C(C1=NC(Br)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222173	1	26	-1.0	-39.46	262.71	2.03	-37.43
O=C(C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222174	0	35	-1.0	-45.24	324.22	4.09	-41.15
O=C(C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222174	1	35	-1.0	-45.26	324.29	4.10	-41.16
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1	REAL300020222175	0	36	-1.0	-39.27	323.46	5.36	-33.91
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1	REAL300020222175	1	36	-1.0	-39.23	323.54	5.36	-33.87
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1	REAL300020222176	0	36	-1.0	-42.13	323.47	5.37	-36.76
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1	REAL300020222176	1	36	-1.0	-42.19	323.54	5.37	-36.82
O=C(C1=CC(Br)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222177	0	26	-1.0	-37.00	253.75	1.85	-35.15
O=C(C1=CC(Br)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222177	1	26	-1.0	-36.94	253.67	1.83	-35.11
O=C(C1=NC=C(Br)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222178	0	26	-1.0	-41.48	259.37	1.54	-39.94
O=C(C1=NC=C(Br)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222178	1	26	-1.0	-41.49	259.29	1.53	-39.96
O=C(C1=NC=C(I)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222179	0	26	-1.0	-41.29	265.92	2.01	-39.28
O=C(C1=NC=C(I)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222179	1	26	-1.0	-41.29	265.84	1.99	-39.30
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222180	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	REAL300020222180	1	33	-1.0	-43.87	298.22	-1.27	-45.14
CC(C)(C)OC(=O)N1CC2=CN=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2C1	REAL300020222181	0	49	-1.0	-47.11	396.36	4.20	-42.91
CC(C)(C)OC(=O)N1CC2=CN=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2C1	REAL300020222181	1	49	-1.0	-47.15	396.43	4.21	-42.94
O=C(C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222182	0	38	-1.0	-39.73	346.84	3.47	-36.26
O=C(C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222182	1	38	-1.0	-39.70	346.76	3.46	-36.24
O=C(C1=NN=C(C2=CSC=N2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222183	0	31	-1.0	-44.76	293.04	-2.48	-47.24
O=C(C1=NN=C(C2=CSC=N2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222183	1	31	-1.0	-44.80	293.11	-2.48	-47.28
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020222184	0	39	-1.0	-44.43	336.23	3.82	-40.61
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020222184	1	39	-1.0	-44.39	336.30	3.82	-40.57
CC(C)(C1=NN=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1)S(C)(=O)=O	REAL300020222185	0	40	-1.0	-54.07	345.69	-3.88	-57.95
CC(C)(C1=NN=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1)S(C)(=O)=O	REAL300020222185	1	40	-1.0	-54.05	345.62	-3.88	-57.93
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=NC=C(C(F)(F)F)C=C1Cl	REAL300020222186	0	35	-1.0	-39.47	332.91	4.94	-34.53
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=NC=C(C(F)(F)F)C=C1Cl	REAL300020222186	1	35	-1.0	-39.47	332.84	4.93	-34.54
O=C(C1=NN=C(C2=CC=NS2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222187	0	31	-1.0	-40.86	294.23	-1.65	-42.51
O=C(C1=NN=C(C2=CC=NS2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222187	1	31	-1.0	-40.84	294.30	-1.63	-42.47
O=C(C1=NN=C(C2=CC=C(F)C=N2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222188	0	34	-1.0	-41.87	309.96	-1.15	-43.02
O=C(C1=NN=C(C2=CC=C(F)C=N2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222188	1	34	-1.0	-41.86	310.03	-1.13	-42.99
O=C(C1=NN(C2=NC=CC=N2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222189	0	34	-1.0	-51.78	303.09	5.78	-46.00
O=C(C1=NN(C2=NC=CC=N2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222189	1	34	-1.0	-51.82	303.02	5.78	-46.04
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)OC1=C(F)C=C(Cl)C=C1F	REAL300020222190	0	34	-1.0	-40.46	329.23	5.52	-34.94
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)OC1=C(F)C=C(Cl)C=C1F	REAL300020222190	1	34	-1.0	-40.44	329.31	5.53	-34.91
O=C(C1=NC(Br)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222191	0	26	-1.0	-36.62	252.43	1.28	-35.34
O=C(C1=NC(Br)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222191	1	26	-1.0	-36.62	252.50	1.29	-35.33
O=C(C1=NN=C(C2=CC=C(F)C=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222192	0	35	-1.0	-39.12	314.70	0.68	-38.44
O=C(C1=NN=C(C2=CC=C(F)C=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222192	1	35	-1.0	-39.13	314.77	0.69	-38.44
NC1=NC(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222193	0	31	-1.0	-43.35	286.27	1.28	-42.07
NC1=NC(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020222193	1	31	-1.0	-43.37	286.20	1.26	-42.11
O=C(C1=NN=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222194	0	28	-1.0	-36.63	277.69	1.39	-35.24
O=C(C1=NN=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222194	1	28	-1.0	-36.63	277.62	1.37	-35.26
O=C(C1=NN=C(CC2=C(F)C=CC=C2Cl)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222195	0	38	-1.0	-41.30	349.68	1.78	-39.52
O=C(C1=NN=C(CC2=C(F)C=CC=C2Cl)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222195	1	38	-1.0	-41.29	349.76	1.79	-39.50
O=C(C1=NC=CC(NC2CC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222196	0	37	-1.0	-47.05	311.24	3.28	-43.77
O=C(C1=NC=CC(NC2CC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222196	1	37	-1.0	-47.08	311.16	3.28	-43.80
O=C(NC1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222197	0	36	-1.0	-41.40	308.96	1.81	-39.59
O=C(NC1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222197	1	36	-1.0	-41.41	309.03	1.83	-39.58
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222197	1	35	-2.0	-90.24	306.85	0.75	-89.49
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222197	1	35	-2.0	-90.21	306.93	0.77	-89.44
O=C(C1=NC2=CC(F)=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222198	0	33	-1.0	-40.18	289.30	3.23	-36.95
O=C(C1=NC2=CC(F)=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222198	1	33	-1.0	-40.15	289.37	3.25	-36.90
CC1=C(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020222199	0	33	-1.0	-39.76	295.13	4.27	-35.49
CC1=C(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020222199	1	33	-1.0	-39.71	295.20	4.27	-35.44
O=C(NC1=CC=C(O)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020222200	0	35	-1.0	-39.94	301.55	-0.59	-40.53
O=C(NC1=CC=C(O)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020222200	1	35	-1.0	-39.98	301.62	-0.57	-40.55
O=C(C1=NN2C=CC=C(Br)C2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222201	0	32	-1.0	-51.50	300.43	4.30	-47.20
O=C(C1=NN2C=CC=C(Br)C2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222201	1	32	-1.0	-51.52	300.36	4.29	-47.23
COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020222202	0	42	-1.0	-43.93	328.03	3.77	-40.16
COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020222202	1	42	-1.0	-43.94	328.08	3.80	-40.14
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020222203	0	39	-1.0	-47.75	312.87	5.60	-42.15
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020222203	1	39	-1.0	-47.73	312.92	5.61	-42.12
O=C(NC1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222204	0	38	-1.0	-47.01	308.78	5.72	-41.29
O=C(NC1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222204	1	38	-1.0	-47.04	308.83	5.72	-41.32
O=C(NC1=CC=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222205	0	38	-1.0	-46.09	308.89	5.69	-40.40
O=C(NC1=CC=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222205	1	38	-1.0	-46.12	308.95	5.71	-40.41
O=C(NC1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222206	0	38	-1.0	-47.50	298.47	5.26	-42.24
O=C(NC1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222206	1	38	-1.0	-47.50	298.52	5.26	-42.24
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020222207	0	41	-1.0	-49.32	313.45	5.88	-43.44
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020222207	1	41	-1.0	-49.31	313.50	5.88	-43.43
O=C(NC1=CC=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020222208	0	38	-1.0	-44.87	303.83	5.46	-39.41
O=C(NC1=CC=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020222208	1	38	-1.0	-44.90	303.88	5.47	-39.43
NS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020222209	0	43	-1.0	-51.49	346.26	0.15	-51.34
NS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020222209	1	43	-1.0	-51.48	346.31	0.16	-51.32
CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020222210	0	41	-1.0	-42.16	319.94	5.14	-37.02
CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020222210	1	41	-1.0	-42.20	319.99	5.16	-37.04
O=C(NC1=CC=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020222211	0	38	-1.0	-47.87	297.42	5.39	-42.48
O=C(NC1=CC=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020222211	1	38	-1.0	-47.86	297.47	5.40	-42.46
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020222212	0	42	-1.0	-50.25	322.24	4.58	-45.67
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020222212	1	42	-1.0	-50.26	322.30	4.58	-45.68
O=C(C1=NC(=O)C2=CC=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222213	0	41	-1.0	-49.92	324.70	4.28	-45.64
O=C(C1=NC(=O)C2=CC=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222213	1	41	-1.0	-49.97	324.75	4.28	-45.69
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222214	0	40	-1.0	-49.47	320.92	5.96	-43.51
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222214	1	40	-1.0	-49.48	320.98	5.96	-43.52
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222215	0	40	-1.0	-40.35	324.80	5.13	-35.22
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222215	1	40	-1.0	-42.20	324.82	5.14	-37.06
O=C(NC1=CC=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020222216	0	44	-1.0	-43.26	337.68	6.84	-36.42
O=C(NC1=CC=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020222216	1	44	-1.0	-43.19	337.71	6.85	-36.34
CC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020222217	0	43	-1.0	-49.30	332.61	5.62	-43.68
CC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020222217	1	43	-1.0	-49.28	332.66	5.62	-43.66
O=C(NCCC1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222218	0	44	-1.0	-50.51	346.31	6.16	-44.35
O=C(NCCC1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222218	1	44	-1.0	-50.47	346.36	6.17	-44.30
N#CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020222219	0	39	-1.0	-40.19	319.36	4.87	-35.32
N#CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020222219	1	39	-1.0	-40.24	319.41	4.89	-35.35
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020222220	0	41	-1.0	-40.07	325.68	1.15	-38.92
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020222220	1	41	-1.0	-40.07	325.63	1.12	-38.95
COC1=NC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020222221	0	41	-1.0	-46.93	316.34	2.03	-44.90
COC1=NC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020222221	1	41	-1.0	-46.89	316.29	2.02	-44.87
O=C(NC1=CC=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020222222	0	38	-1.0	-47.33	306.40	5.91	-41.42
O=C(NC1=CC=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020222222	1	38	-1.0	-47.33	306.46	5.92	-41.41
O=C(NC1=NC=C(C2=CC=CC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222223	0	44	-1.0	-55.06	356.59	7.44	-47.62
O=C(NC1=NC=C(C2=CC=CC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222223	1	44	-1.0	-55.04	356.54	7.43	-47.61
CC1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020222224	0	37	-1.0	-45.15	298.55	3.93	-41.22
CC1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020222224	1	37	-1.0	-45.17	298.57	3.95	-41.22
CC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020222224	1	36	-2.0	-104.87	297.69	3.20	-101.67
CC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020222224	1	36	-2.0	-104.89	297.73	3.22	-101.67
O=C(NC1=CC=C2C(=O)NC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222225	0	42	-1.0	-39.19	340.74	1.30	-37.89
O=C(NC1=CC=C2C(=O)NC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222225	1	42	-1.0	-39.21	340.81	1.33	-37.88
CC1=C(C)OC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020222226	0	40	-1.0	-55.52	312.64	2.50	-53.02
CC1=C(C)OC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020222226	1	40	-1.0	-55.49	312.69	2.50	-52.99
CC1=C(C)OC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020222226	1	39	-2.0	-104.29	315.32	1.03	-103.26
CC1=C(C)OC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020222226	1	39	-2.0	-104.28	315.38	1.02	-103.26
O=C(NC1=CC=CC(C2=NN=C3CCCN32)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222227	0	51	-1.0	-54.49	395.24	7.51	-46.98
O=C(NC1=CC=CC(C2=NN=C3CCCN32)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222227	1	51	-1.0	-54.43	395.28	7.51	-46.92
O=C(NC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020222228	0	40	-1.0	-44.55	334.58	6.58	-37.97
O=C(NC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020222228	1	40	-1.0	-44.58	334.64	6.59	-37.99
CC1=NC(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=CC(=O)N1	REAL300020222229	0	50	-1.0	-61.09	387.83	5.63	-55.46
CC1=NC(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=CC(=O)N1	REAL300020222229	1	50	-1.0	-61.06	387.79	5.61	-55.45
O=C(NC1=NC2=CC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222230	0	40	-1.0	-57.24	326.02	6.18	-51.06
O=C(NC1=NC2=CC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222230	1	40	-1.0	-57.20	325.97	6.17	-51.03
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222230	1	39	-2.0	-103.39	330.00	5.07	-98.32
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222230	1	39	-2.0	-103.37	329.94	5.05	-98.32
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222231	0	41	-2.0	-119.61	349.14	3.82	-115.79
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222231	1	41	-2.0	-119.66	349.19	3.82	-115.84
O=C(NC1=CC=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222232	0	38	-1.0	-46.26	298.57	5.24	-41.02
O=C(NC1=CC=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222232	1	38	-1.0	-46.21	298.63	5.26	-40.95
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020222233	0	41	-1.0	-47.02	326.26	6.53	-40.49
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020222233	1	41	-1.0	-47.05	326.31	6.54	-40.51
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020222234	0	38	-1.0	-46.52	323.44	6.33	-40.19
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020222234	1	38	-1.0	-46.54	323.50	6.33	-40.21
CC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020222235	0	43	-1.0	-51.47	333.44	5.59	-45.88
CC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020222235	1	43	-1.0	-51.41	333.50	5.60	-45.81
CC1=CC(C)=NC2=NC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=NN21	REAL300020222236	0	45	-1.0	-68.44	354.28	9.28	-59.16
CC1=CC(C)=NC2=NC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=NN21	REAL300020222236	1	45	-1.0	-68.47	354.34	9.29	-59.18
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020222237	0	50	-1.0	-42.09	380.96	5.80	-36.29
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020222237	1	50	-1.0	-42.10	381.24	5.93	-36.17
CC(C)(C)C1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020222238	0	44	-1.0	-51.63	337.70	4.44	-47.19
CC(C)(C)C1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020222238	1	44	-1.0	-51.62	337.65	4.43	-47.19
O=C(NC1=CC=CN=C1N1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222239	0	49	-1.0	-50.00	359.88	5.45	-44.55
O=C(NC1=CC=CN=C1N1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222239	1	49	-1.0	-50.00	359.90	5.45	-44.55
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020222240	0	38	-1.0	-44.71	323.12	6.42	-38.29
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020222240	1	38	-1.0	-44.68	323.17	6.43	-38.25
O=C(NC1=CC=C2OCCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222241	0	44	-1.0	-50.82	336.69	4.31	-46.51
O=C(NC1=CC=C2OCCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222241	1	44	-1.0	-50.84	336.75	4.33	-46.51
COC1=CC(OC)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020222242	0	46	-1.0	-52.13	365.98	4.43	-47.70
COC1=CC(OC)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020222242	1	46	-1.0	-52.17	366.04	4.44	-47.73
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020222243	0	44	-1.0	-52.58	352.72	2.72	-49.86
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020222243	1	44	-1.0	-52.58	352.77	2.73	-49.85
C[NH+](C)CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020222244	0	50	0.0	-52.27	376.89	6.38	-45.89
C[NH+](C)CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020222244	1	50	0.0	-52.24	376.94	6.40	-45.84
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222245	0	48	-1.0	-50.88	366.22	8.62	-42.26
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222245	1	48	-1.0	-50.90	366.27	8.63	-42.27
O=C(NC1=CC=C(Br)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020222246	0	38	-1.0	-44.65	327.68	6.53	-38.12
O=C(NC1=CC=C(Br)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020222246	1	38	-1.0	-44.70	327.73	6.53	-38.17
O=C(NC1=CC(F)=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222247	0	38	-1.0	-46.44	304.99	5.31	-41.13
O=C(NC1=CC(F)=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222247	1	38	-1.0	-46.44	305.04	5.32	-41.12
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222248	0	42	-1.0	-49.29	338.74	5.07	-44.22
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222248	1	42	-1.0	-49.29	338.79	5.08	-44.21
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CC=CC=C1F	REAL300020222249	0	39	-1.0	-46.75	314.55	6.46	-40.29
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CC=CC=C1F	REAL300020222249	1	39	-1.0	-46.69	314.59	6.47	-40.22
O=C(NC1=CC=C([N+](=O)[O-])C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020222250	0	40	-1.0	-44.50	325.60	6.06	-38.44
O=C(NC1=CC=C([N+](=O)[O-])C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020222250	1	40	-1.0	-44.50	325.65	6.07	-38.43
COCC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020222251	0	38	-1.0	-53.75	304.56	0.56	-53.19
COCC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020222251	1	38	-1.0	-53.81	304.62	0.56	-53.25
CC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020222252	0	41	-1.0	-50.07	325.95	6.51	-43.56
CC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020222252	1	41	-1.0	-50.10	326.01	6.52	-43.58
CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020222253	0	44	-1.0	-49.99	327.62	6.56	-43.43
CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020222253	1	44	-1.0	-50.04	327.67	6.57	-43.47
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020222254	0	44	-1.0	-42.58	334.95	5.67	-36.91
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020222254	1	44	-1.0	-42.62	334.99	5.68	-36.94
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020222255	0	50	-1.0	-53.06	383.91	4.41	-48.65
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020222255	1	50	-1.0	-53.06	383.96	4.44	-48.62
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222256	0	38	-1.0	-37.38	321.14	5.03	-32.35
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222256	1	38	-1.0	-37.42	321.19	5.06	-32.36
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1	REAL300020222257	0	46	-1.0	-52.78	351.13	3.78	-49.00
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1	REAL300020222257	1	46	-1.0	-52.81	351.19	3.79	-49.02
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1	REAL300020222258	0	44	-1.0	-49.60	334.97	6.52	-43.08
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1	REAL300020222258	1	44	-1.0	-49.61	335.02	6.53	-43.08
O=C(NC1=CC=C(F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222259	0	38	-1.0	-37.96	311.26	4.59	-33.37
O=C(NC1=CC=C(F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222259	1	38	-1.0	-37.98	311.30	4.62	-33.36
CCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020222260	0	44	-1.0	-49.47	334.94	6.64	-42.83
CCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020222260	1	44	-1.0	-49.43	334.98	6.65	-42.78
O=C(NC1=CC=C(Br)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222261	0	38	-1.0	-47.02	313.34	5.83	-41.19
O=C(NC1=CC=C(Br)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222261	1	38	-1.0	-47.00	313.39	5.83	-41.17
CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020222262	0	41	-1.0	-50.34	310.12	6.14	-44.20
CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020222262	1	41	-1.0	-50.37	310.17	6.15	-44.22
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCN1C(C)C	REAL300020222263	0	48	-1.0	-53.79	354.75	6.38	-47.41
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCN1C(C)C	REAL300020222263	1	48	-1.0	-53.81	354.80	6.40	-47.41
O=C(C1=NC(Br)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222264	0	32	-1.0	-41.57	275.19	3.13	-38.44
O=C(C1=NC(Br)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222264	1	32	-1.0	-41.59	275.24	3.13	-38.46
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020222265	0	40	-1.0	-40.35	314.98	3.32	-37.03
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020222265	1	40	-1.0	-40.34	315.04	3.33	-37.01
CC1(C2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=NO2)CC1	REAL300020222266	0	41	-1.0	-52.68	322.90	3.66	-49.02
CC1(C2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=NO2)CC1	REAL300020222266	1	41	-1.0	-52.75	322.85	3.66	-49.09
O=C(NC1=NC2=C(COCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222267	0	42	-1.0	-46.64	331.21	3.53	-43.11
O=C(NC1=NC2=C(COCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222267	1	42	-1.0	-46.62	331.26	3.54	-43.08
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222267	1	41	-2.0	-94.70	334.93	2.38	-92.32
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222267	1	41	-2.0	-94.69	334.99	2.39	-92.30
O=S(=O)(C1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)O1)N1CCCC1	REAL300020222268	0	43	-1.0	-42.96	361.24	0.36	-42.60
O=S(=O)(C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)O1)N1CCCC1	REAL300020222268	1	43	-1.0	-42.97	361.30	0.38	-42.59
CC(C(=O)NC1=CC=C(C(C)(C)C)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222269	0	50	-1.0	-50.69	381.83	4.58	-46.11
CC(C(=O)NC1=CC=C(C(C)(C)C)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222269	1	51	0.0	-54.39	384.44	6.81	-47.58
CC(C(=O)NC1=CC=C(C(C)(C)C)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222269	1	51	0.0	-54.48	384.42	6.83	-47.65
CC(C(=O)NC1=CC=C(C(C)(C)C)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222269	1	50	-1.0	-50.68	381.91	4.59	-46.09
CN(CCOC1=CC=C(Cl)C=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222270	0	45	-1.0	-45.17	374.56	3.80	-41.37
CN(CCOC1=CC=C(Cl)C=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222270	1	46	0.0	-47.34	381.14	6.44	-40.90
CN(CCOC1=CC=C(Cl)C=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222270	1	46	0.0	-49.04	379.26	6.44	-42.60
CN(CCOC1=CC=C(Cl)C=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222270	1	45	-1.0	-45.19	374.62	3.81	-41.38
CN(CC1=CC=CC=C1F)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222271	0	41	-1.0	-50.87	330.35	3.77	-47.10
CN(CC1=CC=CC=C1F)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222271	1	42	0.0	-46.45	334.00	6.30	-40.15
CN(CC1=CC=CC=C1F)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222271	1	42	0.0	-51.37	333.04	6.25	-45.12
CN(CC1=CC=CC=C1F)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222271	1	41	-1.0	-50.84	330.42	3.77	-47.07
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020222272	0	48	-1.0	-45.55	389.35	5.75	-39.80
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020222272	1	48	-1.0	-45.54	389.42	5.77	-39.77
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCCC2CCCCC21	REAL300020222273	0	48	-1.0	-42.81	348.19	4.24	-38.57
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC2CCCCC21	REAL300020222273	1	49	0.0	-47.98	350.43	6.52	-41.46
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC2CCCCC21	REAL300020222273	1	49	0.0	-48.02	350.42	6.54	-41.48
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCCC2CCCCC21	REAL300020222273	1	48	-1.0	-42.83	348.27	4.25	-38.58
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(CC2=CC=CC=C2)CC1	REAL300020222274	0	52	0.0	-46.03	393.27	8.52	-37.51
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(CC2=CC=CC=C2)CC1	REAL300020222274	1	52	0.0	-49.36	392.57	8.43	-40.93
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCC(CC2=CC=CC=C2)CC1	REAL300020222274	1	51	-1.0	-43.95	390.42	6.16	-37.79
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCC(CC2=CC=CC=C2)CC1	REAL300020222274	1	51	-1.0	-43.95	390.49	6.17	-37.78
CC1CC2=CC=CC=C2N1C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222275	0	42	-1.0	-46.56	326.08	4.17	-42.39
CC1CC2=CC=CC=C2N1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222275	1	43	0.0	-45.68	329.13	6.61	-39.07
CC1CC2=CC=CC=C2N1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222275	1	43	0.0	-43.12	329.95	6.59	-36.53
CC1CC2=CC=CC=C2N1C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222275	1	42	-1.0	-46.53	326.16	4.18	-42.35
COC1=CC=C(CN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020222276	0	50	0.0	-49.24	386.31	6.82	-42.42
COC1=CC=C(CN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020222276	1	50	0.0	-53.05	384.96	6.95	-46.10
COC1=CC=C(CN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)C2CC2)C=C1	REAL300020222276	1	49	-1.0	-44.86	379.81	4.35	-40.51
COC1=CC=C(CN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020222276	1	49	-1.0	-44.92	379.88	4.36	-40.56
CCCN(CC1=CC=C(C)C=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222277	0	50	-1.0	-47.46	393.67	6.12	-41.34
CCCN(CC1=CC=C(C)C=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222277	1	51	0.0	-47.58	396.83	8.59	-38.99
CCCN(CC1=CC=C(C)C=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222277	1	51	0.0	-47.48	396.75	8.59	-38.89
CCCN(CC1=CC=C(C)C=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222277	1	50	-1.0	-47.48	393.74	6.13	-41.35
CCN(CC1=CC=CC(F)=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222278	0	44	-1.0	-44.35	355.63	4.57	-39.78
CCN(CC1=CC=CC(F)=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222278	1	45	0.0	-50.63	360.34	7.23	-43.40
CCN(CC1=CC=CC(F)=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222278	1	45	0.0	-46.48	360.95	7.28	-39.20
CCN(CC1=CC=CC(F)=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222278	1	44	-1.0	-44.38	355.69	4.59	-39.79
CCCCN(CCCC)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222279	0	49	-1.0	-44.49	376.16	4.58	-39.91
CCCCN(CCCC)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222279	1	50	0.0	-48.21	376.81	7.07	-41.14
CCCCN(CCCC)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222279	1	50	0.0	-44.60	381.61	7.29	-37.31
CCCCN(CCCC)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222279	1	49	-1.0	-44.50	376.23	4.60	-39.90
COC1=CC2=C(C=C1OC)CN(C(=O)CN1CCC(C3=N[N-]N=N3)C1)CC2	REAL300020222280	0	50	-1.0	-47.15	389.74	3.31	-43.84
COC1=CC2=C(C=C1OC)CN(C(=O)C[N@@H+]1CCC(C3=NN=N[N-]3)C1)CC2	REAL300020222280	1	51	0.0	-52.56	392.36	5.58	-46.98
COC1=CC2=C(C=C1OC)CN(C(=O)C[N@H+]1CCC(C3=NN=N[N-]3)C1)CC2	REAL300020222280	1	51	0.0	-51.50	392.16	5.58	-45.92
COC1=CC2=C(C=C1OC)CN(C(=O)CN1CCC(C3=NN=N[N-]3)C1)CC2	REAL300020222280	1	50	-1.0	-47.20	389.81	3.31	-43.89
CCN(CC(=O)NCC1=CC=CS1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222281	0	48	-1.0	-51.31	400.42	2.33	-48.98
CCN(CC(=O)NCC1=CC=CS1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222281	1	48	-1.0	-51.30	400.48	2.35	-48.95
CCN(CC(=O)NCC1=CC=CS1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222281	1	49	0.0	-49.15	405.10	4.97	-44.18
CCN(CC(=O)NCC1=CC=CS1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222281	1	49	0.0	-47.47	405.78	5.04	-42.43
CC1=CC=C(CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020222282	0	41	-1.0	-45.83	332.82	2.55	-43.28
CC1=CC=C(CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020222282	1	41	-1.0	-45.84	332.89	2.57	-43.27
CCN(CC1COC2=CC=CC=C2O1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222283	0	50	-1.0	-48.80	392.01	4.25	-44.55
CCN(CC1COC2=CC=CC=C2O1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222283	1	51	0.0	-50.56	396.65	6.84	-43.72
CCN(CC1COC2=CC=CC=C2O1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222283	1	51	0.0	-47.78	397.54	6.85	-40.93
CCN(CC1COC2=CC=CC=C2O1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222283	1	50	-1.0	-48.82	392.08	4.27	-44.55
CCOC(=O)C1CCCCN1C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222284	0	47	-1.0	-51.06	363.35	4.41	-46.65
CCOC(=O)C1CCCCN1C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222284	1	47	-1.0	-51.05	363.43	4.42	-46.63
CCOC(=O)C1CCCCN1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222284	1	48	0.0	-52.64	365.84	6.63	-46.01
CCOC(=O)C1CCCCN1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222284	1	48	0.0	-55.62	365.75	6.68	-48.94
BrC1=CC=CC=C1C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020222285	0	36	-1.0	-48.61	317.97	-0.28	-48.89
BrC1=CC=CC=C1C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020222285	1	36	-1.0	-48.61	318.04	-0.27	-48.88
BrC1=CC=C(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)O1	REAL300020222286	0	33	-1.0	-45.69	304.91	-2.18	-47.87
BrC1=CC=C(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)O1	REAL300020222286	1	33	-1.0	-45.70	304.99	-2.17	-47.87
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(C2CCS(=O)(=O)C2)CC1	REAL300020222287	0	50	-1.0	-52.69	388.45	-1.86	-54.55
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2CCS(=O)(=O)C2)CC1	REAL300020222287	1	51	0.0	-58.07	391.40	0.52	-57.55
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2CCS(=O)(=O)C2)CC1	REAL300020222287	1	51	0.0	-57.02	391.40	0.52	-56.50
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(C2CCS(=O)(=O)C2)CC1	REAL300020222287	1	50	-1.0	-52.73	388.52	-1.86	-54.59
CC(C)CCCC(C)NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222288	0	49	-1.0	-44.49	375.47	3.14	-41.35
CC(C)CCCC(C)NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222288	1	50	0.0	-49.09	380.25	5.78	-43.31
CC(C)CCCC(C)NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222288	1	50	0.0	-48.98	380.14	5.78	-43.20
CC(C)CCCC(C)NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222288	1	49	-1.0	-44.52	375.53	3.15	-41.37
BrC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222289	0	36	0.0	-49.73	306.19	6.09	-43.64
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CCOC(=O)CCCNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222290	0	43	-1.0	-47.22	350.97	1.00	-46.22
CCOC(=O)CCCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222290	1	44	0.0	-49.40	356.12	3.63	-45.77
CCOC(=O)CCCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222290	1	44	0.0	-49.44	356.56	3.62	-45.82
CCOC(=O)CCCNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222290	1	43	-1.0	-47.26	351.03	1.02	-46.24
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CCCC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222293	0	51	0.0	-53.07	386.79	6.83	-46.24
CCCC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222293	1	51	0.0	-46.38	386.43	6.91	-39.47
CCCC(NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222293	1	50	-1.0	-51.73	384.46	4.54	-47.19
CCCC(NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222293	1	50	-1.0	-51.72	384.52	4.56	-47.16
CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222294	0	57	0.0	-48.67	422.46	2.52	-46.15
CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222294	1	57	0.0	-48.21	422.58	2.54	-45.67
CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222294	1	56	-1.0	-49.26	414.75	-0.20	-49.46
CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222294	1	56	-1.0	-49.24	414.82	-0.20	-49.44
CC(C)CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222295	0	50	-1.0	-43.45	378.37	4.22	-39.23
CC(C)CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222295	1	50	-1.0	-43.47	378.43	4.24	-39.23
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O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300020222296	1	52	0.0	-51.95	415.16	9.19	-42.76
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300020222296	1	52	0.0	-51.80	415.15	9.20	-42.60
COC1=CC=C(CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020222297	0	45	-1.0	-46.91	364.97	2.97	-43.94
COC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020222297	1	46	0.0	-54.68	369.54	5.60	-49.08
COC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020222297	1	46	0.0	-50.21	370.20	5.60	-44.61
COC1=CC=C(CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020222297	1	45	-1.0	-46.94	365.03	2.98	-43.96
CCC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222298	0	44	0.0	-42.82	366.83	7.81	-35.01
CCC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222298	1	44	0.0	-45.44	366.96	8.01	-37.43
CCC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222298	1	43	-1.0	-40.78	356.65	5.27	-35.51
CCC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222298	1	43	-1.0	-40.80	356.73	5.28	-35.52
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(CC1CCCO1)C1CCS(=O)(=O)C1	REAL300020222299	0	52	-1.0	-55.78	403.25	0.43	-55.35
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(CC1CCCO1)C1CCS(=O)(=O)C1	REAL300020222299	1	52	-1.0	-55.76	403.32	0.45	-55.31
CC1CCC(N(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222300	0	47	-1.0	-44.42	336.55	3.57	-40.85
CC1CCC(N(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222300	1	48	0.0	-48.62	341.93	6.21	-42.41
CC1CCC(N(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222300	1	48	0.0	-44.19	354.43	6.21	-37.98
CC1CCC(N(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222300	1	47	-1.0	-44.40	336.61	3.59	-40.81
CCN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1CCS(=O)(=O)C1	REAL300020222301	0	44	-1.0	-50.40	346.97	-0.65	-51.05
CCN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222301	1	44	-1.0	-50.41	347.05	-0.63	-51.04
CCCOC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222302	0	46	0.0	-49.46	358.45	6.52	-42.94
CCCOC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222302	1	46	0.0	-48.38	360.99	6.39	-41.99
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222303	0	45	-1.0	-43.53	372.12	3.53	-40.00
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222303	1	46	0.0	-52.61	373.29	5.82	-46.79
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222303	1	46	0.0	-52.47	373.14	5.82	-46.65
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222303	1	45	-1.0	-43.55	372.19	3.54	-40.01
COC1=CC=C([N+](=O)[O-])C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222304	0	38	0.0	-51.27	314.15	5.70	-45.57
COC1=CC=C([N+](=O)[O-])C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222304	1	38	0.0	-50.67	315.99	5.64	-45.03
COC1=CC=C([N+](=O)[O-])C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020222304	1	37	-1.0	-44.96	312.91	3.09	-41.87
COC1=CC=C([N+](=O)[O-])C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020222304	1	37	-1.0	-44.95	312.98	3.10	-41.85
BrC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222305	0	32	0.0	-46.62	279.38	6.18	-40.44
BrC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222305	1	32	0.0	-46.57	276.73	6.16	-40.41
BrC1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222305	1	31	-1.0	-40.25	273.90	3.48	-36.77
CC(C)CC1=CC=C(C(C)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222306	0	53	-1.0	-39.70	414.43	5.40	-34.30
CC(C)CC1=CC=C(C(C)NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222306	1	54	0.0	-49.98	415.45	7.70	-42.28
CC(C)CC1=CC=C(C(C)NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222306	1	54	0.0	-49.97	415.36	7.70	-42.27
CC(C)CC1=CC=C(C(C)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222306	1	53	-1.0	-39.72	414.50	5.41	-34.31
CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Cl	REAL300020222307	0	41	-1.0	-46.73	342.27	2.80	-43.93
CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Cl	REAL300020222307	1	41	-1.0	-46.77	342.33	2.81	-43.96
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1=CC=C(Cl)C=C1	REAL300020222308	0	41	-1.0	-46.40	350.29	2.81	-43.59
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(Cl)C=C1	REAL300020222308	1	42	0.0	-53.48	355.09	5.46	-48.02
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(Cl)C=C1	REAL300020222308	1	42	0.0	-49.03	355.88	5.44	-43.59
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(Cl)C=C1	REAL300020222308	1	41	-1.0	-46.42	350.35	2.82	-43.60
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1=CCCCC1	REAL300020222309	0	45	-1.0	-44.90	349.38	2.51	-42.39
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CCCCC1	REAL300020222309	1	46	0.0	-49.99	354.22	5.17	-44.82
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CCCCC1	REAL300020222309	1	46	0.0	-49.88	354.00	5.14	-44.74
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1=CCCCC1	REAL300020222309	1	45	-1.0	-44.92	349.45	2.52	-42.40
CCC1=CC=C(C(C)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222310	0	47	-1.0	-46.36	374.19	4.00	-42.36
CCC1=CC=C(C(C)NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222310	1	48	0.0	-50.28	377.19	6.46	-43.82
CCC1=CC=C(C(C)NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222310	1	48	0.0	-50.17	377.10	6.46	-43.71
CCC1=CC=C(C(C)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222310	1	47	-1.0	-46.37	374.27	4.01	-42.36
CC1=CC=C(C(C)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020222311	0	47	-1.0	-45.10	367.97	3.57	-41.53
CC1=CC=C(C(C)NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222311	1	48	0.0	-49.80	372.67	6.22	-43.58
CC1=CC=C(C(C)NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222311	1	48	0.0	-47.15	373.37	6.28	-40.87
CC1=CC=C(C(C)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222311	1	47	-1.0	-45.17	368.03	3.58	-41.59
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(CC1=CC=CC=C1)CC(F)(F)F	REAL300020222312	0	44	-1.0	-46.20	362.80	4.77	-41.43
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CC=C1)CC(F)(F)F	REAL300020222312	1	44	-1.0	-46.21	362.86	4.78	-41.43
ClC1=CC=C(Cl)C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222313	0	36	0.0	-48.75	318.53	6.58	-42.17
ClC1=CC=C(Cl)C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222313	1	36	0.0	-46.30	320.53	6.38	-39.92
ClC1=CC=C(Cl)C(OCCN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222313	1	35	-1.0	-38.94	318.19	3.98	-34.96
ClC1=CC=C(Cl)C(OCCN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222313	1	35	-1.0	-38.93	318.26	3.99	-34.94
ClC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCCO2	REAL300020222314	0	38	0.0	-49.87	318.91	5.25	-44.62
ClC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCCO2	REAL300020222314	1	38	0.0	-50.42	315.88	5.25	-45.17
ClC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC2=C1OCCO2	REAL300020222314	1	37	-1.0	-41.15	314.69	2.86	-38.29
ClC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCCO2	REAL300020222314	1	37	-1.0	-41.19	314.76	2.86	-38.33
CCC1=CC=C(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020222315	0	42	-1.0	-41.00	350.29	3.39	-37.61
CCC1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020222315	1	42	-1.0	-40.99	350.37	3.39	-37.60
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(C1CCCC1)C1CCS(=O)(=O)C1	REAL300020222316	0	51	-1.0	-51.74	388.48	1.03	-50.71
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(C1CCCC1)C1CCS(=O)(=O)C1	REAL300020222316	1	51	-1.0	-51.77	388.54	1.05	-50.72
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1=CC=CS1	REAL300020222317	0	38	-1.0	-47.62	325.50	1.58	-46.04
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=CS1	REAL300020222317	1	38	-1.0	-47.61	325.57	1.60	-46.01
CC1=CC=CC=C1C1=NOC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020222318	0	39	-1.0	-46.83	316.65	2.69	-44.14
CC1=CC=CC=C1C1=NOC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020222318	1	39	-1.0	-46.84	316.72	2.71	-44.13
ClC1=CC=C(OCCN2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020222319	0	35	-1.0	-38.12	321.95	3.94	-34.18
ClC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020222319	1	36	0.0	-51.05	322.92	6.68	-44.37
ClC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020222319	1	36	0.0	-53.31	324.48	6.47	-46.84
ClC1=CC=C(OCCN2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020222319	1	35	-1.0	-38.14	322.02	3.94	-34.20
CN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222320	0	41	-1.0	-45.01	361.16	4.56	-40.45
CN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222320	1	42	0.0	-50.42	365.97	7.21	-43.21
CN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222320	1	42	0.0	-47.28	366.41	7.19	-40.09
CN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222320	1	41	-1.0	-45.04	361.23	4.58	-40.46
C1=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=NO2)=CS1	REAL300020222321	0	33	-1.0	-40.10	298.64	0.47	-39.63
C1=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=NO2)=CS1	REAL300020222321	1	33	-1.0	-40.10	298.58	0.46	-39.64
CC1=CC=C(SCCNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222322	0	45	-1.0	-46.85	373.76	3.41	-43.44
CC1=CC=C(SCCNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222322	1	45	-1.0	-46.86	373.82	3.42	-43.44
O=C(NCC1=CC=CC=C1)C(C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222323	0	48	-1.0	-51.07	390.39	5.61	-45.46
O=C(NCC1=CC=CC=C1)C(C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222323	1	48	-1.0	-51.10	390.45	5.62	-45.48
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(CC2=CC=CS2)CC1	REAL300020222324	0	47	-1.0	-43.15	375.15	2.16	-40.99
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CS2)CC1	REAL300020222324	1	48	0.0	-46.73	378.92	4.65	-42.08
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CS2)CC1	REAL300020222324	1	48	0.0	-46.40	379.02	4.66	-41.74
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CS2)CC1	REAL300020222324	1	47	-1.0	-43.12	375.22	2.17	-40.95
CC1=CC=CC(CN2CCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300020222325	0	53	-1.0	-44.46	406.84	3.83	-40.63
CC1=CC=CC(CN2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020222325	1	54	0.0	-45.38	409.26	5.97	-39.41
CC1=CC=CC(CN2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020222325	1	54	0.0	-46.40	409.76	6.22	-40.18
CC1=CC=CC(CN2CCN(C(=O)CN3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020222325	1	53	-1.0	-44.46	406.91	3.83	-40.63
CC1=C(Cl)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C21	REAL300020222326	0	40	0.0	-40.74	322.58	6.50	-34.24
CC1=C(Cl)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C21	REAL300020222326	1	40	0.0	-40.80	328.99	6.93	-33.87
COC(=O)C1=C(CN2CCC(C3=N[N-]N=N3)C2)N(C)C(=O)NC1C1=CC=CC=C1	REAL300020222327	0	51	-1.0	-41.31	396.57	4.53	-36.78
COC(=O)C1=C(CN2CCC(C3=NN=N[N-]3)C2)N(C)C(=O)NC1C1=CC=CC=C1	REAL300020222327	1	51	-1.0	-41.30	396.64	4.55	-36.75
COC(=O)C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N(C)C(=O)NC1C1=CC=CC=C1	REAL300020222327	1	52	0.0	-44.88	393.97	6.13	-38.75
COC(=O)C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N(C)C(=O)NC1C1=CC=CC=C1	REAL300020222327	1	52	0.0	-49.64	392.76	6.27	-43.37
FC1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222328	0	38	0.0	-51.36	321.58	4.10	-47.26
FC1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222328	1	38	0.0	-46.79	322.37	4.18	-42.61
FC1=CC=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)=C1	REAL300020222328	1	37	-1.0	-43.02	312.57	1.64	-41.38
FC1=CC=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222328	1	37	-1.0	-43.08	312.64	1.65	-41.43
FC1=CC=C(OCC2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222329	0	41	-1.0	-40.66	359.33	3.41	-37.25
FC1=CC=C(OCC2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222329	1	41	-1.0	-40.71	359.40	3.42	-37.29
FC1=CC=C(OCC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222329	1	42	0.0	-49.61	360.61	5.96	-43.65
FC1=CC=C(OCC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222329	1	42	0.0	-47.55	361.27	6.11	-41.44
CC(C(=O)N1CC(C)CC(C)C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222330	0	48	0.0	-40.21	353.93	5.82	-34.39
CC(C(=O)N1CC(C)CC(C)C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222330	1	48	0.0	-45.48	354.06	5.83	-39.65
CC(C(=O)N1CC(C)CC(C)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222330	1	47	-1.0	-48.51	341.98	3.07	-45.44
CC(C(=O)N1CC(C)CC(C)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222330	1	47	-1.0	-48.51	342.05	3.09	-45.42
CC(C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222331	0	53	0.0	-42.10	369.90	6.07	-36.03
CC(C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222331	1	53	0.0	-53.44	369.65	5.96	-47.48
CC(C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020222331	1	52	-1.0	-40.23	367.42	3.66	-36.57
CC(C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020222331	1	52	-1.0	-40.20	367.49	3.67	-36.53
COC1=CC=C(OC)C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222332	0	46	-1.0	-54.12	363.90	0.94	-53.18
COC1=CC=C(OC)C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222332	1	46	-1.0	-54.15	363.97	0.96	-53.19
CC(C(=O)N1CCC2=CC=CC=C21)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222333	0	43	0.0	-50.11	333.55	6.59	-43.52
CC(C(=O)N1CCC2=CC=CC=C21)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222333	1	43	0.0	-49.48	331.97	6.54	-42.94
CC(C(=O)N1CCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020222333	1	42	-1.0	-49.47	329.90	4.19	-45.28
CC(C(=O)N1CCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020222333	1	42	-1.0	-49.47	329.96	4.20	-45.27
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222334	0	45	0.0	-43.08	351.49	5.53	-37.55
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222334	1	45	0.0	-54.16	351.26	5.52	-48.64
CC(NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222334	1	44	-1.0	-52.36	349.12	3.18	-49.18
CC(NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222334	1	44	-1.0	-52.41	349.18	3.20	-49.21
CCC(C)C1=CC=CC=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222335	0	50	-1.0	-45.59	380.42	4.97	-40.62
CCC(C)C1=CC=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222335	1	51	0.0	-49.56	381.93	7.32	-42.24
CCC(C)C1=CC=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222335	1	51	0.0	-54.31	382.48	7.28	-47.03
CCC(C)C1=CC=CC=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222335	1	50	-1.0	-45.60	380.49	4.98	-40.62
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CC2CCC1C2	REAL300020222336	0	52	0.0	-52.18	377.39	6.05	-46.13
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CC2CCC1C2	REAL300020222336	1	52	0.0	-45.95	377.79	6.26	-39.69
CC(NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1CC2CCC1C2	REAL300020222336	1	51	-1.0	-49.56	375.13	3.78	-45.78
CC(NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1CC2CCC1C2	REAL300020222336	1	51	-1.0	-49.59	375.20	3.80	-45.79
CCN(C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020222337	0	51	0.0	-39.60	366.28	6.67	-32.93
CCN(C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020222337	1	51	0.0	-39.67	364.75	6.62	-33.05
CCN(C(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020222337	1	50	-1.0	-42.46	364.06	4.42	-38.04
CCN(C(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020222337	1	50	-1.0	-42.47	364.14	4.43	-38.04
CC(C(=O)N1C(C)CCCC1C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222338	0	48	0.0	-52.15	332.20	5.38	-46.77
CC(C(=O)N1C(C)CCCC1C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222338	1	48	0.0	-47.59	337.86	5.70	-41.89
CC(C(=O)N1C(C)CCCC1C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222338	1	47	-1.0	-46.85	321.00	2.74	-44.11
CC(C(=O)NC1(C#N)CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222339	0	45	-1.0	-61.57	344.69	1.74	-59.83
CC(C(=O)NC1(C#N)CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222339	1	45	-1.0	-61.56	344.76	1.76	-59.80
CCN1C(=O)NC(=O)C(C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020222340	0	41	-1.0	-48.77	326.71	-0.76	-49.53
CCN1C(=O)NC(=O)C(C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020222340	1	41	-1.0	-48.75	326.78	-0.74	-49.49
CCN1C(=O)NC(=O)C(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020222340	1	42	0.0	-47.44	332.21	1.98	-45.46
CCN1C(=O)NC(=O)C(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020222340	1	42	0.0	-46.47	331.34	1.88	-44.59
NC(=O)CSC1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222341	0	43	-1.0	-53.33	363.33	-0.33	-53.66
NC(=O)CSC1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222341	1	43	-1.0	-53.33	363.40	-0.33	-53.66
CC1=CC=C(C2=NN=C(C(C)N3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020222342	0	42	-1.0	-45.14	348.60	0.40	-44.74
CC1=CC=C(C2=NN=C(C(C)N3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020222342	1	42	-1.0	-45.13	348.68	0.41	-44.72
CC(C(=O)N1CCCC2=CC=CC=C21)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222343	0	46	0.0	-57.76	343.61	6.93	-50.83
CC(C(=O)N1CCCC2=CC=CC=C21)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222343	1	46	0.0	-43.83	342.57	6.91	-36.92
CC(C(=O)N1CCCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020222343	1	45	-1.0	-41.17	341.50	4.66	-36.51
CC(C(=O)N1CCCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020222343	1	45	-1.0	-41.13	341.57	4.67	-36.46
CC(C)(C)C1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222344	0	52	0.0	-49.19	396.27	5.29	-43.90
CC(C)(C)C1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222344	1	52	0.0	-51.17	396.03	5.32	-45.85
OC(COC1=CC=CC=C1F)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222345	0	40	0.0	-54.54	323.91	3.24	-51.30
OC(COC1=CC=CC=C1F)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222345	1	40	0.0	-54.67	326.09	3.07	-51.60
CC1=CC=CC(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222346	0	43	0.0	-51.36	339.09	3.84	-47.52
CC1=CC=CC(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222346	1	43	0.0	-51.92	337.41	3.97	-47.95
CC1=CC=CC=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222347	0	43	0.0	-51.25	339.89	3.71	-47.54
CC1=CC=CC=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222347	1	43	0.0	-51.75	336.08	4.05	-47.70
CC1=CC=CC(C)=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222348	0	46	0.0	-50.26	361.64	4.51	-45.75
CC1=CC=CC(C)=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222348	1	46	0.0	-50.74	357.80	4.82	-45.92
OC(COC1=CC=CC(Br)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222349	0	40	0.0	-53.31	338.98	3.79	-49.52
OC(COC1=CC=CC(Br)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222349	1	40	0.0	-53.73	337.30	3.92	-49.81
CC1=CC=CC(C)=C1NC(=O)CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222350	0	48	0.0	-53.52	371.65	7.03	-46.49
CC1=CC=CC(C)=C1NC(=O)CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222350	1	48	0.0	-53.52	371.64	6.99	-46.53
CC1=CC=CC(C)=C1NC(=O)CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222350	1	48	0.0	-53.47	371.58	7.02	-46.45
CC1=CC=CC(C)=C1NC(=O)CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222350	1	48	0.0	-53.45	371.55	6.98	-46.47
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=NN1C1=CC=CC=C1	REAL300020222351	0	49	0.0	-47.35	395.20	10.31	-37.04
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=NN1C1=CC=CC=C1	REAL300020222351	1	49	0.0	-46.60	393.50	10.17	-36.43
OC(COC1=CC=C(Cl)C=C1Cl)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222352	0	40	0.0	-54.26	350.44	4.23	-50.03
OC(COC1=CC=C(Cl)C=C1Cl)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222352	1	40	0.0	-54.59	352.62	4.07	-50.52
OC(COC1=CC=CC2=CC=CC=C21)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222353	0	46	0.0	-53.14	364.79	5.32	-47.82
OC(COC1=CC=CC2=CC=CC=C21)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222353	1	46	0.0	-53.45	364.90	5.32	-48.13
OC(COC1=CC=C(C2=CC=CC=C2)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222354	0	50	0.0	-51.50	394.26	6.39	-45.11
OC(COC1=CC=C(C2=CC=CC=C2)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222354	1	50	0.0	-53.60	394.02	6.42	-47.18
OC(COC1=CC2=CC=CC=C2C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222355	0	46	0.0	-53.71	365.83	5.25	-48.46
OC(COC1=CC2=CC=CC=C2C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222355	1	46	0.0	-53.96	365.88	5.28	-48.68
OC(COCC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222356	0	43	0.0	-50.22	343.42	3.64	-46.58
OC(COCC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222356	1	43	0.0	-50.62	341.55	3.77	-46.85
OC(COCC1=CC=CC=C1F)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222357	0	43	0.0	-50.09	349.08	3.65	-46.44
OC(COCC1=CC=CC=C1F)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222357	1	43	0.0	-50.75	345.27	3.99	-46.76
OC(COCC1=CC=CC=C1Cl)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222358	0	43	0.0	-49.55	358.53	4.07	-45.48
OC(COCC1=CC=CC=C1Cl)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222358	1	43	0.0	-50.20	354.72	4.41	-45.79
OC(COCC1=CC=C(Cl)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222359	0	43	0.0	-51.12	359.97	4.16	-46.96
OC(COCC1=CC=C(Cl)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222359	1	43	0.0	-50.14	362.89	4.02	-46.12
OC(COC(C1=CC=CC=C1)C1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222360	0	53	0.0	-49.94	423.70	7.33	-42.61
OC(COC(C1=CC=CC=C1)C1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222360	1	53	0.0	-50.25	423.80	7.34	-42.91
OC(COCC1=CC=CS1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222361	0	40	0.0	-50.44	333.65	2.72	-47.72
OC(COCC1=CC=CS1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222361	1	40	0.0	-50.68	331.79	2.85	-47.83
CC1(C)C2CC1C(COCC(O)C[N@@H+]1CCC(C3=NN=N[N-]3)C1)=CC2	REAL300020222362	0	54	0.0	-48.54	399.26	5.19	-43.35
CC1(C)C2CC1C(COCC(O)C[N@H+]1CCC(C3=NN=N[N-]3)C1)=CC2	REAL300020222362	1	54	0.0	-47.19	399.35	5.17	-42.02
COC1=CC=C(COCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222363	0	47	0.0	-51.85	372.74	2.94	-48.91
COC1=CC=C(COCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222363	1	47	0.0	-50.91	375.66	2.80	-48.11
COC1=CC=CC=C1COCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222364	0	47	0.0	-50.28	370.09	3.14	-47.14
COC1=CC=CC=C1COCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222364	1	47	0.0	-50.83	368.22	3.27	-47.56
COC1=CC=CC(COCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222365	0	47	0.0	-52.28	374.83	2.77	-49.51
COC1=CC=CC(COCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222365	1	47	0.0	-52.30	374.93	2.77	-49.53
CC1=CC=C(C)C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222366	0	49	0.0	-49.99	378.78	5.33	-44.66
CC1=CC=C(C)C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222366	1	49	0.0	-50.58	379.37	5.08	-45.50
COC1=CC=CC=C1N(CCC(N)=O)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222367	0	49	-1.0	-52.84	394.63	0.51	-52.33
COC1=CC=CC=C1N(CCC(N)=O)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222367	1	49	-1.0	-52.87	394.70	0.51	-52.36
ClC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC2=CC=CC=C21	REAL300020222368	0	35	0.0	-43.15	305.37	7.33	-35.82
ClC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)SC2=CC=CC=C21	REAL300020222368	1	35	0.0	-43.78	310.64	7.55	-36.23
CCC(C(=O)NC1=CC=C(F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222369	0	42	0.0	-58.67	330.87	5.36	-53.31
CCC(C(=O)NC1=CC=C(F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222369	1	42	0.0	-48.76	329.74	5.35	-43.41
CCC(C(=O)NC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222369	1	41	-1.0	-53.48	330.12	3.40	-50.08
CCC(C(=O)NC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222369	1	41	-1.0	-53.51	330.18	3.42	-50.09
CCC(C(=O)NC1=CC=C(OC)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222370	0	46	0.0	-57.58	353.97	4.59	-52.99
CCC(C(=O)NC1=CC=C(OC)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222370	1	46	0.0	-48.25	352.84	4.59	-43.66
CCC(C(=O)NC1=CC=C(OC)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222370	1	45	-1.0	-55.94	353.21	2.63	-53.31
CCC(C(=O)NC1=CC=C(OC)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222370	1	45	-1.0	-55.94	353.27	2.64	-53.30
O=C(NC1=CC=CC=C1)C(C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222371	0	45	-1.0	-53.41	365.08	5.47	-47.94
O=C(NC1=CC=CC=C1)C(C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222371	1	45	-1.0	-53.42	365.14	5.49	-47.93
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300020222372	0	42	0.0	-60.33	347.42	5.82	-54.51
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300020222372	1	42	0.0	-60.16	347.68	5.75	-54.41
COC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300020222372	1	41	-1.0	-52.41	332.79	2.36	-50.05
COC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300020222372	1	41	-1.0	-52.44	332.86	2.38	-50.06
CC1=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020222373	0	52	-1.0	-69.32	417.14	3.94	-65.38
CC1=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020222373	1	53	0.0	-67.97	420.47	6.09	-61.88
CC1=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020222373	1	53	0.0	-66.15	421.74	5.95	-60.20
CC1=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020222373	1	52	-1.0	-69.34	417.20	3.96	-65.38
FC1=CC=C(C2=CN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020222374	0	37	-1.0	-39.40	318.62	1.65	-37.75
FC1=CC=C(C2=CN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020222374	1	37	-1.0	-39.39	318.69	1.67	-37.72
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)NCC1=CC=CC=C1	REAL300020222375	0	46	0.0	-64.82	375.10	4.97	-59.85
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)NCC1=CC=CC=C1	REAL300020222375	1	46	0.0	-61.49	375.25	4.95	-56.54
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)NCC1=CC=CC=C1	REAL300020222375	1	46	0.0	-64.73	375.03	4.95	-59.78
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)NCC1=CC=CC=C1	REAL300020222375	1	46	0.0	-61.49	375.19	4.94	-56.55
CC1=CC=CC(C)=C1NC(=O)CNC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222376	0	51	-1.0	-46.69	403.92	2.39	-44.30
CC1=CC=CC(C)=C1NC(=O)CNC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222376	1	51	-1.0	-46.71	403.98	2.40	-44.31
CC1=CC=CC(C)=C1NC(=O)CNC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222376	1	52	0.0	-53.38	403.45	4.64	-48.74
CC1=CC=CC(C)=C1NC(=O)CNC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222376	1	52	0.0	-46.56	403.70	4.64	-41.92
CC(C(=O)NCC1=CC=C(F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222377	0	42	0.0	-44.66	340.42	4.74	-39.92
CC(C(=O)NCC1=CC=C(F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222377	1	42	0.0	-44.82	340.57	4.73	-40.09
CC(C(=O)NCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222377	1	41	-1.0	-45.00	336.85	2.48	-42.52
CC(C(=O)NCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222377	1	41	-1.0	-45.00	336.92	2.50	-42.50
CCN(CC)C(=O)C(C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222378	0	48	0.0	-46.02	365.37	7.36	-38.66
CCN(CC)C(=O)C(C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222378	1	48	0.0	-44.54	368.02	7.38	-37.16
ClC1=CC=C(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222379	0	36	0.0	-51.45	315.48	7.38	-44.07
ClC1=CC=C(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222379	1	36	0.0	-52.26	316.23	7.45	-44.81
ClC1=CC=C(SCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222379	1	36	0.0	-51.44	315.41	7.36	-44.08
ClC1=CC=C(SCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222379	1	36	0.0	-52.27	316.16	7.44	-44.83
ClC1=CC=C(Cl)C(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222380	0	36	0.0	-51.33	331.28	7.90	-43.43
ClC1=CC=C(Cl)C(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222380	1	36	0.0	-50.71	330.98	7.81	-42.90
CC1=CC=CC(C2=NN=C(C(C)N3CCC(C4=N[N-]N=N4)C3)O2)=C1	REAL300020222381	0	42	-1.0	-48.84	347.73	0.40	-48.44
CC1=CC=CC(C2=NN=C(C(C)N3CCC(C4=NN=N[N-]4)C3)O2)=C1	REAL300020222381	1	42	-1.0	-48.85	347.80	0.41	-48.44
CC(C1=NN=C(C2=CC=CC(Cl)=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222382	0	39	-1.0	-48.28	343.05	0.25	-48.03
CC(C1=NN=C(C2=CC=CC(Cl)=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222382	1	39	-1.0	-48.28	343.12	0.25	-48.03
CC(=O)N1CCN(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222383	0	46	0.0	-50.77	347.60	3.55	-47.22
CC(=O)N1CCN(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222383	1	46	0.0	-65.79	343.82	3.40	-62.39
CC(=O)N1CCN(C(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222383	1	45	-1.0	-55.63	336.69	0.76	-54.87
CC(=O)N1CCN(C(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222383	1	45	-1.0	-55.60	336.76	0.78	-54.82
CCOC1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222384	0	42	-1.0	-46.60	338.25	1.93	-44.67
CCOC1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222384	1	42	-1.0	-46.66	338.32	1.93	-44.73
CCC(C)C1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222385	0	47	-1.0	-46.21	366.46	4.14	-42.07
CCC(C)C1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222385	1	47	-1.0	-46.19	366.54	4.14	-42.05
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2CCCC2=C1	REAL300020222386	0	42	-1.0	-48.72	333.36	3.50	-45.22
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2CCCC2=C1	REAL300020222386	1	42	-1.0	-48.72	333.43	3.51	-45.21
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2CCCC2=C1	REAL300020222386	1	43	0.0	-52.62	336.54	5.93	-46.69
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2CCCC2=C1	REAL300020222386	1	43	0.0	-48.92	337.19	6.01	-42.91
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(C1=CC=CC=C1)C1CCCCC1	REAL300020222387	0	51	-1.0	-44.51	372.17	5.77	-38.74
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(C1=CC=CC=C1)C1CCCCC1	REAL300020222387	1	52	0.0	-43.55	392.11	8.89	-34.66
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(C1=CC=CC=C1)C1CCCCC1	REAL300020222387	1	52	0.0	-42.35	391.90	8.87	-33.48
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(C1=CC=CC=C1)C1CCCCC1	REAL300020222387	1	51	-1.0	-44.53	372.23	5.79	-38.74
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(=O)NCC1=CC=CS1	REAL300020222388	0	39	-1.0	-53.22	337.84	0.71	-52.51
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(=O)NCC1=CC=CS1	REAL300020222388	1	39	-1.0	-53.20	337.91	0.72	-52.48
FC(F)N1C2=CC=CC=C2N=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020222389	0	37	-1.0	-41.87	310.76	3.27	-38.60
FC(F)N1C2=CC=CC=C2N=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020222389	1	37	-1.0	-41.85	310.83	3.28	-38.57
FC(F)N1C2=CC=CC=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222389	1	38	0.0	-45.63	313.34	5.83	-39.80
FC(F)N1C2=CC=CC=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222389	1	38	0.0	-46.48	311.45	5.93	-40.55
CC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222390	0	41	0.0	-43.01	345.35	7.05	-35.96
CC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222390	1	41	0.0	-45.54	343.64	7.40	-38.14
CC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222390	1	40	-1.0	-39.71	342.61	4.50	-35.21
CC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222390	1	40	-1.0	-39.74	342.68	4.51	-35.23
CCN(C1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300020222391	0	52	-1.0	-47.13	393.34	4.15	-42.98
CCN(C1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020222391	1	52	-1.0	-47.13	393.41	4.16	-42.97
CCN(C1=CC=C(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020222391	1	53	0.0	-47.37	397.22	6.61	-40.76
CCN(C1=CC=C(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020222391	1	53	0.0	-47.22	397.59	6.61	-40.61
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Br)=C1	REAL300020222392	0	36	0.0	-50.57	307.48	4.03	-46.54
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Br)=C1	REAL300020222392	1	36	0.0	-50.45	308.26	3.95	-46.50
OC(CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Br)=C1	REAL300020222392	1	35	-1.0	-38.36	305.76	1.54	-36.82
OC(CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Br)=C1	REAL300020222392	1	35	-1.0	-38.35	305.83	1.56	-36.79
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(CC2=CC=CC=C2)CC1	REAL300020222393	0	50	-1.0	-43.57	385.38	3.16	-40.41
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CC=C2)CC1	REAL300020222393	1	51	0.0	-46.54	388.19	5.51	-41.03
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CC=C2)CC1	REAL300020222393	1	51	0.0	-45.99	387.60	5.36	-40.63
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CC=C2)CC1	REAL300020222393	1	50	-1.0	-43.57	385.45	3.16	-40.41
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)S1	REAL300020222394	0	38	0.0	-43.25	323.95	6.37	-36.88
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)S1	REAL300020222394	1	38	0.0	-44.77	323.15	6.54	-38.23
C1=C(CN2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CC=C2)S1	REAL300020222394	1	37	-1.0	-39.84	321.25	3.82	-36.02
C1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)S1	REAL300020222394	1	37	-1.0	-39.86	321.32	3.83	-36.03
C1=C(CN2CCC(C3=N[N-]N=N3)C2)N=C(NC2=CC=CC=C2)S1	REAL300020222395	0	39	-1.0	-39.96	332.06	3.36	-36.60
C1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(NC2=CC=CC=C2)S1	REAL300020222395	1	39	-1.0	-39.97	332.13	3.37	-36.60
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(NC2=CC=CC=C2)S1	REAL300020222395	1	40	0.0	-42.78	334.77	5.91	-36.87
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(NC2=CC=CC=C2)S1	REAL300020222395	1	40	0.0	-45.19	334.76	6.10	-39.09
CC1=CC=CC=C1NC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020222396	0	42	-1.0	-40.00	350.20	4.10	-35.90
CC1=CC=CC=C1NC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222396	1	42	-1.0	-39.99	350.27	4.11	-35.88
CC1=CC=CC=C1NC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222396	1	43	0.0	-42.76	352.92	6.65	-36.11
CC1=CC=CC=C1NC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222396	1	43	0.0	-45.04	351.20	7.00	-38.04
ClC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222397	0	38	0.0	-44.09	340.67	6.89	-37.20
ClC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222397	1	38	0.0	-46.71	340.80	7.09	-39.62
ClC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222397	1	37	-1.0	-38.22	337.97	4.34	-33.88
ClC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222397	1	37	-1.0	-38.23	338.04	4.35	-33.88
COC1=CC=CC=C1C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020222398	0	41	-1.0	-44.70	340.00	3.20	-41.50
COC1=CC=CC=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222398	1	42	0.0	-44.49	350.12	6.01	-38.48
COC1=CC=CC=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222398	1	42	0.0	-45.43	348.63	6.27	-39.16
COC1=CC=CC=C1C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222398	1	41	-1.0	-44.75	340.07	3.21	-41.54
CCOC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1OC	REAL300020222399	0	49	0.0	-47.24	404.45	6.51	-40.73
CCOC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1OC	REAL300020222399	1	49	0.0	-49.56	402.75	6.86	-42.70
CCOC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1OC	REAL300020222399	1	48	-1.0	-41.06	401.70	3.96	-37.10
CCOC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1OC	REAL300020222399	1	48	-1.0	-41.03	401.77	3.97	-37.06
COC1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222400	0	42	0.0	-48.33	352.00	5.67	-42.66
COC1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222400	1	42	0.0	-45.47	353.13	5.79	-39.68
COC1=CC=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)=C1	REAL300020222400	1	41	-1.0	-42.89	343.27	3.12	-39.77
COC1=CC=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222400	1	41	-1.0	-42.87	343.34	3.14	-39.73
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)NC1=CC=CC=C1	REAL300020222401	0	43	0.0	-69.60	349.64	4.70	-64.90
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)NC1=CC=CC=C1	REAL300020222401	1	43	0.0	-69.98	349.81	4.81	-65.17
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)NC1=CC=CC=C1	REAL300020222401	1	43	0.0	-69.58	349.57	4.69	-64.89
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)NC1=CC=CC=C1	REAL300020222401	1	43	0.0	-69.96	349.73	4.81	-65.15
COC(=O)C1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222402	0	50	0.0	-59.14	401.61	3.76	-55.38
COC(=O)C1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222402	1	50	0.0	-59.44	403.79	3.60	-55.84
CCOC(=O)C1=CC=CC(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222403	0	49	0.0	-58.03	394.33	4.76	-53.27
CCOC(=O)C1=CC=CC(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222403	1	49	0.0	-58.27	392.65	4.90	-53.37
ClC1=CC=C(C(C2=CC=CC=C2)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222404	0	42	0.0	-44.71	346.45	9.78	-34.93
ClC1=CC=C(C(C2=CC=CC=C2)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222404	1	42	0.0	-46.25	346.38	9.77	-36.48
CC(C(=O)N(C)C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222405	0	42	0.0	-43.72	325.56	6.05	-37.67
CC(C(=O)N(C)C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222405	1	42	0.0	-43.74	318.40	5.71	-38.03
CC(C(=O)N(C)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222405	1	41	-1.0	-41.66	323.08	3.64	-38.02
CC(C(=O)N(C)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222405	1	41	-1.0	-41.63	323.16	3.66	-37.97
N#CC1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCCC2	REAL300020222406	0	50	0.0	-53.93	399.52	7.15	-46.78
N#CC1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCCC2	REAL300020222406	1	50	0.0	-57.48	400.25	7.27	-50.21
CC1=CC=CC(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222407	0	41	-1.0	-40.66	327.59	2.89	-37.77
CC1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222407	1	42	0.0	-51.45	329.76	5.32	-46.13
CC1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222407	1	42	0.0	-44.16	329.55	5.19	-38.97
CC1=CC=CC(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222407	1	41	-1.0	-40.63	327.66	2.90	-37.73
COC1=CC=CC(CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020222408	0	49	-1.0	-46.60	385.39	3.09	-43.51
COC1=CC=CC(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020222408	1	50	0.0	-47.94	388.28	5.55	-42.39
COC1=CC=CC(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020222408	1	50	0.0	-55.71	391.29	6.14	-49.57
COC1=CC=CC(CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020222408	1	49	-1.0	-46.61	385.46	3.09	-43.52
CN(CC1=CC=C(F)C=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222409	0	41	-1.0	-46.93	337.47	3.84	-43.09
CN(CC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222409	1	42	0.0	-48.61	340.72	6.35	-42.26
CN(CC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222409	1	42	0.0	-50.76	340.29	6.30	-44.46
CN(CC1=CC=C(F)C=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222409	1	41	-1.0	-46.90	337.55	3.86	-43.04
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(C1CCS(=O)(=O)C1)C1CCCCC1	REAL300020222410	0	54	-1.0	-49.97	398.85	1.46	-48.51
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(C1CCS(=O)(=O)C1)C1CCCCC1	REAL300020222410	1	54	-1.0	-49.99	398.93	1.48	-48.51
FC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222411	0	38	0.0	-44.69	330.35	6.44	-38.25
FC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222411	1	38	0.0	-47.19	330.48	6.63	-40.56
FC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222411	1	37	-1.0	-38.56	327.65	3.89	-34.67
FC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222411	1	37	-1.0	-38.54	327.72	3.90	-34.64
NS(=O)(=O)C1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222412	0	40	-1.0	-46.72	343.91	-3.29	-50.01
NS(=O)(=O)C1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222412	1	40	-1.0	-46.71	343.98	-3.27	-49.98
CC1=CC=CC=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222413	0	41	-1.0	-46.11	323.81	3.06	-43.05
CC1=CC=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222413	1	42	0.0	-48.15	325.59	5.42	-42.73
CC1=CC=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222413	1	42	0.0	-54.99	325.82	5.38	-49.61
CC1=CC=CC=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222413	1	41	-1.0	-46.14	323.87	3.08	-43.06
CC(C1=NC(=O)C2=C(N1)SC1=C2CCC(C)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222414	0	49	-1.0	-64.97	388.63	4.44	-60.53
CC(C1=NC(=O)C2=C(N1)SC1=C2CCC(C)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222414	1	49	-1.0	-65.05	388.71	4.44	-60.61
CCOC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222415	0	45	0.0	-44.16	375.24	6.61	-37.55
CCOC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222415	1	45	0.0	-46.54	375.37	6.81	-39.73
CCOC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222415	1	44	-1.0	-39.44	372.54	4.06	-35.38
CCOC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222415	1	44	-1.0	-39.44	372.61	4.08	-35.36
CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222416	0	45	-1.0	-52.37	379.12	2.85	-49.52
CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222416	1	45	-1.0	-52.39	379.18	2.87	-49.52
CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222416	1	46	0.0	-50.18	384.52	5.56	-44.62
CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222416	1	46	0.0	-49.82	384.45	5.49	-44.33
CCOC1=CC=C(CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222417	0	48	-1.0	-43.14	384.22	4.17	-38.97
CCOC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222417	1	49	0.0	-50.06	385.38	6.47	-43.59
CCOC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222417	1	49	0.0	-49.76	385.24	6.46	-43.30
CCOC1=CC=C(CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222417	1	48	-1.0	-43.17	384.29	4.19	-38.98
CC1=CC=CC=C1CN(C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222418	0	44	-1.0	-46.87	346.33	4.94	-41.93
CC1=CC=CC=C1CN(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222418	1	45	0.0	-46.83	344.09	6.51	-40.32
CC1=CC=CC=C1CN(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222418	1	45	0.0	-50.31	349.50	7.40	-42.91
CC1=CC=CC=C1CN(C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222418	1	44	-1.0	-46.90	346.40	4.94	-41.96
CC(OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222419	0	46	0.0	-50.60	381.11	4.79	-45.81
CC(OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222419	1	46	0.0	-51.19	377.53	5.06	-46.13
OC(COC1=CC(Cl)=CC=C1Cl)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222420	0	40	0.0	-52.16	352.57	4.04	-48.12
OC(COC1=CC(Cl)=CC=C1Cl)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222420	1	40	0.0	-52.46	352.62	4.07	-48.39
CC1=CC(C(C)(C)C)=CC=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222421	0	55	0.0	-50.64	414.10	6.24	-44.40
CC1=CC(C(C)(C)C)=CC=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222421	1	55	0.0	-49.79	416.84	6.10	-43.69
CC(=O)C1=CC=CC(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222422	0	45	0.0	-58.71	360.45	3.66	-55.05
CC(=O)C1=CC=CC(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222422	1	45	0.0	-58.95	358.77	3.80	-55.15
CC1=CC=C(C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2)C=C1	REAL300020222423	0	56	0.0	-49.79	445.16	7.98	-41.81
CC1=CC=C(C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2)C=C1	REAL300020222423	1	56	0.0	-50.60	441.37	8.31	-42.29
CC1=CC(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(C(C)C)C=C1Cl	REAL300020222424	0	52	0.0	-52.24	411.73	6.27	-45.97
CC1=CC(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(C(C)C)C=C1Cl	REAL300020222424	1	52	0.0	-53.01	410.06	6.40	-46.61
CC1=CC=CC=C1C(OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222425	0	56	0.0	-49.98	434.29	7.86	-42.12
CC1=CC=CC=C1C(OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222425	1	56	0.0	-50.62	435.96	7.70	-42.92
CC=CC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222426	0	51	0.0	-53.56	399.69	5.08	-48.48
CC=CC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222426	1	51	0.0	-53.78	401.87	4.91	-48.87
CC1=CC(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020222427	0	46	0.0	-51.43	360.76	4.49	-46.94
CC1=CC(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020222427	1	46	0.0	-51.90	358.81	4.63	-47.27
OC(COC1=CC=CC=C1Cl)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222428	0	40	0.0	-53.13	333.71	3.72	-49.41
OC(COC1=CC=CC=C1Cl)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222428	1	40	0.0	-53.42	335.89	3.55	-49.87
OC(COC1=CC=C(Cl)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222429	0	40	0.0	-50.88	336.83	3.49	-47.39
OC(COC1=CC=C(Cl)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222429	1	40	0.0	-53.06	336.59	3.52	-49.54
COC1=CC=CC=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222430	0	44	0.0	-53.39	346.93	3.09	-50.30
COC1=CC=CC=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222430	1	44	0.0	-53.60	349.11	2.92	-50.68
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020222431	0	50	0.0	-62.22	391.76	5.71	-56.51
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020222431	1	50	0.0	-68.05	392.05	5.85	-62.20
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020222431	1	50	0.0	-62.19	391.69	5.70	-56.49
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020222431	1	50	0.0	-67.97	391.98	5.85	-62.12
CC(C1=NN=C(C2=CC=CS2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222432	0	36	-1.0	-48.44	317.15	-1.26	-49.70
CC(C1=NN=C(C2=CC=CS2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222432	1	36	-1.0	-48.45	317.22	-1.26	-49.71
CC1=CC(=O)N2N=C(CN3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020222433	0	35	-1.0	-54.68	308.12	1.46	-53.22
CC1=CC(=O)N2N=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020222433	1	36	0.0	-56.88	311.84	3.94	-52.94
CC1=CC(=O)N2N=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020222433	1	36	0.0	-56.18	312.53	3.92	-52.26
CC1=CC(=O)N2N=C(CN3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020222433	1	35	-1.0	-54.61	308.19	1.48	-53.13
CC1=CC=CC(N2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020222434	0	51	0.0	-48.05	385.06	5.93	-42.12
CC1=CC=CC(N2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020222434	1	51	0.0	-48.21	385.17	5.96	-42.25
CC1=CC=CC(N2CCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300020222434	1	50	-1.0	-45.42	379.80	3.22	-42.20
CC1=CC=CC(N2CCN(C(=O)CN3CCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020222434	1	50	-1.0	-45.41	379.86	3.23	-42.18
CC(C(=O)NC1=CC=CC=C1C#N)N1CCC(C2=N[N-]N=N2)C1	REAL300020222435	0	39	-1.0	-41.16	324.42	2.67	-38.49
CC(C(=O)NC1=CC=CC=C1C#N)N1CCC(C2=NN=N[N-]2)C1	REAL300020222435	1	39	-1.0	-41.17	324.49	2.68	-38.49
CC(C(=O)N1CCN(C2=CC=CC=C2)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222436	0	51	0.0	-43.11	380.18	5.51	-37.60
CC(C(=O)N1CCN(C2=CC=CC=C2)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222436	1	51	0.0	-55.52	381.21	5.60	-49.92
CC(C(=O)N1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222436	1	50	-1.0	-48.20	370.33	2.81	-45.39
CC(C(=O)N1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222436	1	50	-1.0	-48.21	370.40	2.82	-45.39
CC(C(=O)NC(=O)NC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222437	0	42	-1.0	-48.96	341.48	2.26	-46.70
CC(C(=O)NC(=O)NC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222437	1	43	0.0	-53.29	343.43	4.57	-48.72
CC(C(=O)NC(=O)NC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222437	1	43	0.0	-58.76	343.07	4.57	-54.19
CC(C(=O)NC(=O)NC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222437	1	42	-1.0	-48.97	341.56	2.27	-46.70
COC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222438	0	42	0.0	-51.58	345.42	3.36	-48.22
COC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222438	1	42	0.0	-46.85	345.47	3.41	-43.44
COC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)C=C1	REAL300020222438	1	41	-1.0	-40.68	342.87	0.78	-39.90
COC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222438	1	41	-1.0	-40.71	342.93	0.80	-39.91
CC(C)CNC(=O)NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222439	0	44	-1.0	-64.14	347.63	1.01	-63.13
CC(C)CNC(=O)NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222439	1	45	0.0	-51.48	349.96	3.33	-48.15
CC(C)CNC(=O)NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222439	1	45	0.0	-56.85	349.63	3.33	-53.52
CC(C)CNC(=O)NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222439	1	44	-1.0	-64.10	347.70	1.02	-63.08
N#CCCN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020222440	0	42	-1.0	-44.81	368.82	5.29	-39.52
N#CCCN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020222440	1	42	-1.0	-44.81	368.89	5.31	-39.50
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CS2)O1	REAL300020222441	0	38	0.0	-47.95	327.75	3.79	-44.16
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CS2)O1	REAL300020222441	1	38	0.0	-47.62	326.35	4.03	-43.59
CC1=C(CN2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CS2)O1	REAL300020222441	1	37	-1.0	-45.31	312.75	0.76	-44.55
CC1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CS2)O1	REAL300020222441	1	37	-1.0	-45.31	312.81	0.78	-44.53
O=C1C2=CC=CC=C2C(=O)N1CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222442	0	43	0.0	-50.55	356.04	2.80	-47.75
O=C1C2=CC=CC=C2C(=O)N1CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222442	1	43	0.0	-50.93	355.78	2.88	-48.05
CC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222443	0	41	0.0	-50.61	337.38	4.72	-45.89
CC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222443	1	41	0.0	-45.54	337.42	4.77	-40.77
CC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)C=C1	REAL300020222443	1	40	-1.0	-40.71	334.82	2.15	-38.56
CC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222443	1	40	-1.0	-40.71	334.89	2.17	-38.54
CC(C)(C)C1=NOC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222444	0	43	-1.0	-50.89	345.73	1.81	-49.08
CC(C)(C)C1=NOC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222444	1	43	-1.0	-50.89	345.67	1.80	-49.09
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222444	1	42	-2.0	-97.87	344.06	0.30	-97.57
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222444	1	42	-2.0	-97.89	343.98	0.29	-97.60
CC(=O)N(C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1)C1=CC=CC=C1F	REAL300020222445	0	44	-1.0	-51.13	383.15	5.47	-45.66
CC(=O)N(C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1)C1=CC=CC=C1F	REAL300020222445	1	44	-1.0	-51.11	383.22	5.48	-45.63
C1=COC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)=C1	REAL300020222446	0	34	-1.0	-46.32	303.28	2.07	-44.25
C1=COC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222446	1	34	-1.0	-46.34	303.36	2.07	-44.27
C1=COC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222446	1	35	0.0	-46.66	305.86	4.47	-42.19
C1=COC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222446	1	35	0.0	-48.53	304.76	4.76	-43.77
ClC1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222447	0	38	0.0	-50.60	331.89	4.55	-46.05
ClC1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222447	1	38	0.0	-46.16	332.69	4.62	-41.54
ClC1=CC=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)=C1	REAL300020222447	1	37	-1.0	-42.54	322.89	2.07	-40.47
ClC1=CC=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222447	1	37	-1.0	-42.54	322.96	2.08	-40.46
CC1=CC=C(NC(=O)NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020222448	0	48	-1.0	-57.10	379.06	3.89	-53.21
CC1=CC=C(NC(=O)NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222448	1	49	0.0	-53.05	382.60	6.08	-46.97
CC1=CC=C(NC(=O)NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222448	1	49	0.0	-69.50	382.45	6.07	-63.43
CC1=CC=C(NC(=O)NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222448	1	48	-1.0	-57.04	379.14	3.90	-53.14
CC1=CC=C(F)C=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222449	0	41	-1.0	-42.47	330.12	3.15	-39.32
CC1=CC=C(F)C=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222449	1	41	-1.0	-42.43	330.19	3.16	-39.27
CC1=CC=C(F)C=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222449	1	42	0.0	-56.03	333.23	5.62	-50.41
CC1=CC=C(F)C=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222449	1	42	0.0	-54.32	331.27	5.50	-48.82
CC1=CC(C)=CC(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222450	0	44	-1.0	-43.97	346.56	3.55	-40.42
CC1=CC(C)=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222450	1	45	0.0	-55.90	350.71	5.86	-50.04
CC1=CC(C)=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222450	1	45	0.0	-46.50	349.35	5.87	-40.63
CC1=CC(C)=CC(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222450	1	44	-1.0	-43.92	346.63	3.56	-40.36
CC(C(=O)NC1=CC=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222451	0	41	-1.0	-51.29	331.43	0.80	-50.49
CC(C(=O)NC1=CC=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222451	1	41	-1.0	-51.30	331.50	0.82	-50.48
CC(C(=O)NC1=CC=C2OCOC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222451	1	42	0.0	-54.37	334.38	3.21	-51.16
CC(C(=O)NC1=CC=C2OCOC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222451	1	42	0.0	-52.41	333.10	3.20	-49.21
CC(C(=O)N(C)C1CCCCC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222452	0	48	0.0	-41.24	344.94	5.86	-35.38
CC(C(=O)N(C)C1CCCCC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222452	1	48	0.0	-53.85	345.06	5.80	-48.05
CC(C(=O)N(C)C1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222452	1	47	-1.0	-41.98	346.26	3.62	-38.36
CC(C(=O)N(C)C1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222452	1	47	-1.0	-42.01	346.33	3.63	-38.38
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1N=C(C2=CC=CS2)CC1C1=CC=CO1	REAL300020222453	0	46	-1.0	-48.70	395.78	4.28	-44.42
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1N=C(C2=CC=CS2)CC1C1=CC=CO1	REAL300020222453	1	46	-1.0	-48.69	395.84	4.29	-44.40
COC1=CC=CC(NC(=O)C(C2=CC=CC=C2)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222454	0	49	-1.0	-49.48	394.97	4.81	-44.67
COC1=CC=CC(NC(=O)C(C2=CC=CC=C2)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222454	1	49	-1.0	-49.54	395.04	4.82	-44.72
CCOC1=CC=CC=C1NC(=O)C(C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222455	0	52	-1.0	-48.95	417.62	5.80	-43.15
CCOC1=CC=CC=C1NC(=O)C(C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222455	1	52	-1.0	-49.00	417.68	5.81	-43.19
CC(C)C(C)(C#N)NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222456	0	44	-1.0	-59.26	337.71	1.24	-58.02
CC(C)C(C)(C#N)NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222456	1	44	-1.0	-59.28	337.77	1.26	-58.02
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1N=C(C2=CC=CO2)CC1C1=CC=CS1	REAL300020222457	0	46	-1.0	-43.74	399.42	4.68	-39.06
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1N=C(C2=CC=CO2)CC1C1=CC=CS1	REAL300020222457	1	46	-1.0	-43.75	399.49	4.70	-39.05
OC(COC1=CC=C(Cl)C(Cl)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222458	0	40	0.0	-52.56	349.59	4.14	-48.42
OC(COC1=CC=C(Cl)C(Cl)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222458	1	40	0.0	-53.51	347.90	4.28	-49.23
CC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020222459	0	44	-1.0	-41.08	345.26	3.44	-37.64
CC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222459	1	45	0.0	-49.87	346.37	5.79	-44.08
CC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222459	1	45	0.0	-47.53	346.11	5.76	-41.77
CC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222459	1	44	-1.0	-41.14	345.34	3.46	-37.68
CSC1=CC=CC(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222460	0	42	-1.0	-45.82	345.27	3.19	-42.63
CSC1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222460	1	43	0.0	-51.52	348.27	5.70	-45.82
CSC1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222460	1	43	0.0	-45.71	348.08	5.55	-40.16
CSC1=CC=CC(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222460	1	42	-1.0	-45.86	345.33	3.20	-42.66
CC(C(=O)NC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020222461	0	38	-1.0	-47.72	324.75	3.02	-44.70
CC(C(=O)NC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020222461	1	38	-1.0	-47.71	324.82	3.04	-44.67
CN(C)C1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222462	0	50	0.0	-49.03	385.53	6.65	-42.38
CN(C)C1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222462	1	50	0.0	-48.71	386.39	6.66	-42.05
CN(C)C1=CC=C(CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222462	1	49	-1.0	-48.77	382.55	4.18	-44.59
CN(C)C1=CC=C(CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222462	1	49	-1.0	-48.80	382.63	4.20	-44.60
CC1=CC=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020222463	0	41	0.0	-50.79	335.34	7.43	-43.36
CC1=CC=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020222463	1	41	0.0	-52.76	334.68	7.51	-45.25
CC1=CC=C(C)C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222464	0	46	0.0	-51.22	361.30	4.38	-46.84
CC1=CC=C(C)C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222464	1	46	0.0	-51.73	357.49	4.71	-47.02
OC(COC1=CC=C(OC2=CC=CC=C2)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222465	0	51	0.0	-52.05	410.51	5.88	-46.17
OC(COC1=CC=C(OC2=CC=CC=C2)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222465	1	51	0.0	-54.17	408.58	5.84	-48.33
FC1=CC=C(OCC2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020222466	0	40	-1.0	-39.30	344.90	1.27	-38.03
FC1=CC=C(OCC2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020222466	1	40	-1.0	-39.31	344.97	1.29	-38.02
COC(=O)C(CC(C)C)NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222467	0	46	-1.0	-43.20	354.78	1.32	-41.88
COC(=O)C(CC(C)C)NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222467	1	46	-1.0	-43.27	354.84	1.34	-41.93
COC1=CC(CCNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)F	REAL300020222468	0	49	-1.0	-52.80	403.78	1.97	-50.83
COC1=CC(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020222468	1	50	0.0	-58.30	406.87	4.41	-53.89
COC1=CC(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020222468	1	50	0.0	-54.92	407.39	4.48	-50.44
COC1=CC(CCNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020222468	1	49	-1.0	-52.84	403.85	1.98	-50.86
CC1=NN(C)C(C)=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222469	0	41	-1.0	-48.04	332.09	0.25	-47.79
CC1=NN(C)C(C)=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222469	1	41	-1.0	-48.03	332.16	0.26	-47.77
ClC1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222470	0	39	0.0	-50.46	327.11	6.49	-43.97
ClC1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222470	1	39	0.0	-51.26	326.64	6.54	-44.72
ClC1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222470	1	39	0.0	-50.38	327.04	6.49	-43.89
ClC1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222470	1	39	0.0	-51.25	326.57	6.54	-44.71
CC1=CC(C)=CC(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222471	0	45	0.0	-49.33	353.22	7.32	-42.01
CC1=CC(C)=CC(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222471	1	45	0.0	-49.99	352.73	7.35	-42.64
CC1=CC(C)=CC(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222471	1	45	0.0	-49.30	353.15	7.30	-42.00
CC1=CC(C)=CC(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222471	1	45	0.0	-49.95	352.65	7.35	-42.60
CC1=CC=CC=C1CN1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222472	0	53	-1.0	-43.48	404.61	3.91	-39.57
CC1=CC=CC=C1CN1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222472	1	54	0.0	-47.52	406.48	6.54	-40.98
CC1=CC=CC=C1CN1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222472	1	54	0.0	-45.84	406.63	6.12	-39.72
BrC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222473	0	32	0.0	-49.41	277.52	6.15	-43.26
BrC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222473	1	32	0.0	-48.96	279.03	6.17	-42.79
BrC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222473	1	31	-1.0	-37.40	273.11	3.59	-33.81
BrC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222473	1	31	-1.0	-37.39	273.18	3.61	-33.78
O=C1C2=CC=CC=C2C(=O)N1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222474	0	39	0.0	-49.35	324.75	5.22	-44.13
O=C1C2=CC=CC=C2C(=O)N1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222474	1	39	0.0	-47.83	324.81	5.17	-42.66
O=C1C2=CC=CC=C2C(=O)N1CCN1CCC(C2=N[N-]N=N2)C1	REAL300020222474	1	38	-1.0	-46.50	321.75	2.70	-43.80
O=C1C2=CC=CC=C2C(=O)N1CCN1CCC(C2=NN=N[N-]2)C1	REAL300020222474	1	38	-1.0	-46.46	321.83	2.70	-43.76
CC(C(=O)NC1CCC(C)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222475	0	48	0.0	-52.03	352.60	5.33	-46.70
CC(C(=O)NC1CCC(C)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222475	1	48	0.0	-43.95	351.31	5.38	-38.57
CC(C(=O)NC1CCC(C)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222475	1	47	-1.0	-39.68	350.46	3.06	-36.62
CC(C(=O)NC1CCC(C)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222475	1	47	-1.0	-39.67	350.53	3.07	-36.60
CC(C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222476	0	46	0.0	-57.89	347.90	1.32	-56.57
CC(C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222476	1	46	0.0	-55.32	347.56	1.28	-54.04
CC(C(=O)N1CCC(C(N)=O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222476	1	45	-1.0	-54.02	345.02	-1.11	-55.13
CC(C(=O)N1CCC(C(N)=O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222476	1	45	-1.0	-53.97	345.08	-1.10	-55.07
CC(=O)NC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222477	0	47	0.0	-57.31	376.20	1.87	-55.44
CC(=O)NC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222477	1	47	0.0	-59.64	376.23	1.89	-57.75
CC1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222478	0	45	0.0	-48.87	348.34	7.19	-41.68
CC1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020222478	1	45	0.0	-49.98	348.31	7.23	-42.75
CC1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020222478	1	45	0.0	-48.85	348.28	7.18	-41.67
CC1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020222478	1	45	0.0	-49.99	348.24	7.23	-42.76
COC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020222479	0	46	-1.0	-45.81	362.58	0.87	-44.94
COC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222479	1	46	-1.0	-45.82	362.64	0.88	-44.94
CCC1=CC=CC(CC)=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222480	0	50	-1.0	-44.87	378.50	4.98	-39.89
CCC1=CC=CC(CC)=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222480	1	51	0.0	-47.47	384.81	7.52	-39.95
CCC1=CC=CC(CC)=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222480	1	51	0.0	-46.31	383.18	7.50	-38.81
CCC1=CC=CC(CC)=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222480	1	50	-1.0	-44.86	378.56	4.99	-39.87
CC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020222481	0	41	-1.0	-39.45	332.45	3.01	-36.44
CC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020222481	1	41	-1.0	-39.46	332.52	3.02	-36.44
COC(=O)C1=CC=C(C)C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222482	0	47	-1.0	-48.06	378.47	3.72	-44.34
COC(=O)C1=CC=C(C)C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222482	1	47	-1.0	-48.10	378.55	3.73	-44.37
CC(C)OC(=O)C1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222483	0	50	-1.0	-51.85	401.01	4.60	-47.25
CC(C)OC(=O)C1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222483	1	50	-1.0	-51.86	401.09	4.61	-47.25
CC(C)OC(=O)C1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222483	1	51	0.0	-60.07	404.60	6.78	-53.29
CC(C)OC(=O)C1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222483	1	51	0.0	-61.94	404.33	6.81	-55.13
CCC1=CC=CC=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222484	0	44	-1.0	-40.47	344.61	3.89	-36.58
CCC1=CC=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222484	1	45	0.0	-47.63	345.80	6.19	-41.44
CCC1=CC=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222484	1	45	0.0	-46.30	345.41	6.22	-40.08
CCC1=CC=CC=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222484	1	44	-1.0	-40.49	344.68	3.91	-36.58
COC1=CC=CC(CNC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222485	0	46	0.0	-47.02	363.26	3.98	-43.04
COC1=CC=CC(CNC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222485	1	46	0.0	-51.59	362.39	4.00	-47.59
COC1=CC=CC(CNC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222485	1	45	-1.0	-41.50	361.25	1.65	-39.85
COC1=CC=CC(CNC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222485	1	45	-1.0	-41.51	361.32	1.66	-39.85
CC1=CC=CC=C1C(C)NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222486	0	48	0.0	-42.80	367.61	6.11	-36.69
CC1=CC=CC=C1C(C)NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222486	1	48	0.0	-43.24	366.50	6.03	-37.21
CC1=CC=CC=C1C(C)NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222486	1	47	-1.0	-45.27	362.72	3.63	-41.64
CC1=CC=CC=C1C(C)NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222486	1	47	-1.0	-45.28	362.79	3.64	-41.64
COC1=CC=CC=C1C(C)NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222487	0	48	-1.0	-48.22	375.68	2.53	-45.69
COC1=CC=CC=C1C(C)NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222487	1	49	0.0	-44.22	378.81	4.92	-39.30
COC1=CC=CC=C1C(C)NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222487	1	49	0.0	-52.19	377.72	4.95	-47.24
COC1=CC=CC=C1C(C)NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222487	1	48	-1.0	-48.23	375.75	2.55	-45.68
CC1=CC=CC=C1CCNC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222488	0	48	0.0	-56.37	370.79	5.90	-50.47
CC1=CC=CC=C1CCNC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222488	1	48	0.0	-52.03	369.71	5.94	-46.09
CC1=CC=CC=C1CCNC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222488	1	47	-1.0	-47.42	367.28	3.64	-43.78
CC1=CC=CC=C1CCNC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222488	1	47	-1.0	-47.37	367.35	3.66	-43.71
CC1=CC=CC=C1CNC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222489	0	45	0.0	-45.42	350.69	5.48	-39.94
CC1=CC=CC=C1CNC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222489	1	45	0.0	-42.55	351.51	5.17	-37.38
CC1=CC=CC=C1CNC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222489	1	44	-1.0	-51.38	348.74	3.13	-48.25
CC1=CC=CC=C1CNC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222489	1	44	-1.0	-51.37	348.81	3.14	-48.23
CC(C(=O)NC1CCOC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020222490	0	46	-1.0	-46.54	355.51	2.11	-44.43
CC(C(=O)NC1CCOC2=CC=CC=C21)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222490	1	47	0.0	-45.89	358.61	4.51	-41.38
CC(C(=O)NC1CCOC2=CC=CC=C21)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222490	1	47	0.0	-55.83	358.43	4.50	-51.33
CC(C(=O)NC1CCOC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020222490	1	46	-1.0	-46.51	355.57	2.13	-44.38
CC(C(=O)NC1=CC=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222491	0	47	-1.0	-44.19	369.06	2.16	-42.03
CC(C(=O)NC1=CC=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222491	1	47	-1.0	-44.20	369.14	2.17	-42.03
CC(C(=O)NC1=CC=C2OCCCOC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222491	1	48	0.0	-49.40	370.60	4.48	-44.92
CC(C(=O)NC1=CC=C2OCCCOC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222491	1	48	0.0	-52.44	369.88	4.48	-47.96
CC1=CC=CC(OCCNC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222492	0	48	-1.0	-46.09	382.20	2.58	-43.51
CC1=CC=CC(OCCNC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222492	1	49	0.0	-43.28	385.32	4.97	-38.31
CC1=CC=CC(OCCNC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222492	1	49	0.0	-49.51	384.19	5.00	-44.51
CC1=CC=CC(OCCNC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222492	1	48	-1.0	-46.11	382.27	2.60	-43.51
CCN(CC)C(=O)C1=CC=CC(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222493	0	54	-1.0	-50.32	416.56	3.86	-46.46
CCN(CC)C(=O)C1=CC=CC(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222493	1	54	-1.0	-50.31	416.62	3.87	-46.44
CCN(CC)C(=O)C1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222493	1	55	0.0	-59.41	417.35	6.31	-53.10
CCN(CC)C(=O)C1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222493	1	55	0.0	-51.30	419.41	6.21	-45.09
CC(C(=O)NC1=CC(Cl)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020222494	0	38	-1.0	-48.66	328.26	2.88	-45.78
CC(C(=O)NC1=CC(Cl)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020222494	1	38	-1.0	-48.67	328.33	2.90	-45.77
CCC1=CC=C(C(C)NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222495	0	51	0.0	-42.83	394.44	6.97	-35.86
CCC1=CC=C(C(C)NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222495	1	51	0.0	-53.98	394.21	6.96	-47.02
CCC1=CC=C(C(C)NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222495	1	50	-1.0	-52.36	392.01	4.62	-47.74
CCC1=CC=C(C(C)NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222495	1	50	-1.0	-52.37	392.08	4.64	-47.73
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222496	0	45	0.0	-44.62	368.23	6.05	-38.57
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222496	1	45	0.0	-55.09	368.00	6.04	-49.05
CC(NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020222496	1	44	-1.0	-42.88	364.39	3.72	-39.16
CC(NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222496	1	44	-1.0	-42.92	364.46	3.74	-39.18
CSC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222497	0	42	-1.0	-49.45	344.42	3.32	-46.13
CSC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222497	1	43	0.0	-57.33	347.74	5.52	-51.81
CSC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222497	1	43	0.0	-48.71	346.52	5.56	-43.15
CSC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222497	1	42	-1.0	-49.43	344.49	3.33	-46.10
COC1=CC=C(OC)C(C(C)NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222498	0	52	-1.0	-55.57	405.87	1.88	-53.69
COC1=CC=C(OC)C(C(C)NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222498	1	53	0.0	-43.92	408.30	4.20	-39.72
COC1=CC=C(OC)C(C(C)NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222498	1	53	0.0	-44.32	408.49	4.18	-40.14
COC1=CC=C(OC)C(C(C)NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222498	1	52	-1.0	-55.63	405.93	1.90	-53.73
CC1=CC=CC=C1CN(C)C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222499	0	48	0.0	-43.45	362.00	7.64	-35.81
CC1=CC=CC=C1CN(C)C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222499	1	48	0.0	-56.31	361.97	7.62	-48.69
CC1=CC=CC=C1CN(C)C(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222499	1	47	-1.0	-48.57	352.24	4.41	-44.16
CC1=CC=CC=C1CN(C)C(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222499	1	47	-1.0	-48.62	352.31	4.43	-44.19
CC(C(=O)N(C)CC1=CC=C(Br)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222500	0	45	0.0	-49.29	369.76	7.28	-42.01
CC(C(=O)N(C)CC1=CC=C(Br)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222500	1	45	0.0	-53.21	366.46	7.11	-46.10
CC(C(=O)N(C)CC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222500	1	44	-1.0	-45.21	367.13	4.93	-40.28
CC(C(=O)N(C)CC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222500	1	44	-1.0	-45.16	367.21	4.94	-40.22
CC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222501	0	46	0.0	-51.18	359.34	4.58	-46.60
CC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222501	1	46	0.0	-51.71	357.47	4.71	-47.00
C=CCC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222502	0	51	0.0	-53.41	404.71	4.91	-48.50
C=CCC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222502	1	51	0.0	-53.43	404.81	4.91	-48.52
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCSC2=CC=CC=C21	REAL300020222503	0	40	-1.0	-45.98	322.22	3.62	-42.36
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCSC2=CC=CC=C21	REAL300020222503	1	40	-1.0	-45.95	322.28	3.63	-42.32
CCN(C(C)=O)C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020222504	0	40	-1.0	-49.77	335.03	2.86	-46.91
CCN(C(C)=O)C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222504	1	40	-1.0	-49.77	335.10	2.87	-46.90
CC(C(=O)NC1CCCC(C)C1C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222505	0	50	-1.0	-52.93	370.49	3.36	-49.57
CC(C(=O)NC1CCCC(C)C1C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222505	1	51	0.0	-41.63	372.90	5.70	-35.93
CC(C(=O)NC1CCCC(C)C1C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222505	1	51	0.0	-45.34	365.48	5.47	-39.87
CC(C(=O)NC1CCCC(C)C1C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222505	1	50	-1.0	-52.91	370.56	3.37	-49.54
COC1=CC=CC=C1N(C(C)=O)C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020222506	0	48	-1.0	-50.95	406.28	4.78	-46.17
COC1=CC=CC=C1N(C(C)=O)C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222506	1	48	-1.0	-50.97	406.34	4.80	-46.17
CCCNC(=O)CN(C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222507	0	44	-1.0	-53.09	351.81	0.08	-53.01
CCCNC(=O)CN(C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222507	1	44	-1.0	-53.08	351.88	0.10	-52.98
CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222507	1	45	0.0	-50.88	356.42	2.72	-48.16
CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222507	1	45	0.0	-48.23	357.34	2.72	-45.51
CC(=O)N(C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1)C1=CC=C(C)C=C1C	REAL300020222508	0	50	-1.0	-47.48	417.25	6.95	-40.53
CC(=O)N(C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1)C1=CC=C(C)C=C1C	REAL300020222508	1	50	-1.0	-47.50	417.32	6.96	-40.54
COCCCN1C(C)=C(C)C(C#N)=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222509	0	53	-1.0	-59.23	430.41	3.99	-55.24
COCCCN1C(C)=C(C)C(C#N)=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222509	1	53	-1.0	-59.21	430.47	4.01	-55.20
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)NC2=CC=CC=C2)CC1	REAL300020222510	0	52	0.0	-57.29	398.98	5.86	-51.43
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)NC2=CC=CC=C2)CC1	REAL300020222510	1	52	0.0	-57.04	400.34	5.81	-51.23
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(C(=O)NC2=CC=CC=C2)CC1	REAL300020222510	1	51	-1.0	-50.57	397.19	3.49	-47.08
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)NC2=CC=CC=C2)CC1	REAL300020222510	1	51	-1.0	-50.55	397.27	3.49	-47.06
ClC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222511	0	38	0.0	-51.37	332.71	4.57	-46.80
ClC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222511	1	38	0.0	-46.46	332.75	4.62	-41.84
ClC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)C=C1	REAL300020222511	1	37	-1.0	-40.84	322.89	2.08	-38.76
ClC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020222511	1	37	-1.0	-40.83	322.96	2.09	-38.74
NC(=O)CCN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020222512	0	45	-1.0	-46.37	374.32	1.02	-45.35
NC(=O)CCN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020222512	1	45	-1.0	-46.40	374.39	1.02	-45.38
NC(=O)CCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020222512	1	46	0.0	-55.96	376.48	3.45	-52.51
NC(=O)CCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020222512	1	46	0.0	-56.85	376.37	3.43	-53.42
COC1=CC=C(NC(=O)C(C2=CC=CC=C2)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222513	0	49	-1.0	-45.95	381.80	3.87	-42.08
COC1=CC=C(NC(=O)C(C2=CC=CC=C2)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222513	1	49	-1.0	-45.95	381.87	3.88	-42.07
ClC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020222514	0	35	0.0	-53.56	300.68	4.72	-48.84
ClC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020222514	1	35	0.0	-52.99	299.97	4.79	-48.20
ClC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC2=C1OCO2	REAL300020222514	1	34	-1.0	-38.34	298.31	2.17	-36.17
ClC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020222514	1	34	-1.0	-38.36	298.38	2.18	-36.18
CC(=O)N(C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1)C1=CC=CC(C)=C1C	REAL300020222515	0	50	-1.0	-47.85	412.80	6.82	-41.03
CC(=O)N(C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1)C1=CC=CC(C)=C1C	REAL300020222515	1	50	-1.0	-47.83	412.87	6.83	-41.00
CCCC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222516	0	47	-1.0	-44.07	364.93	3.74	-40.33
CCCC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222516	1	47	-1.0	-44.11	365.00	3.75	-40.36
ClC1=CC=CC(C2=CN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)=C1	REAL300020222517	0	37	-1.0	-43.47	322.19	2.26	-41.21
ClC1=CC=CC(C2=CN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)=C1	REAL300020222517	1	37	-1.0	-43.44	322.27	2.27	-41.17
CC(C(=O)N(C)CC1=CC=CC(F)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222518	0	45	0.0	-48.10	353.11	6.60	-41.50
CC(C(=O)N(C)CC1=CC=CC(F)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222518	1	45	0.0	-50.36	355.53	6.62	-43.74
CC(C(=O)N(C)CC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222518	1	44	-1.0	-40.02	352.80	4.30	-35.72
CC(C(=O)N(C)CC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222518	1	44	-1.0	-40.00	352.88	4.31	-35.69
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020222519	0	40	0.0	-53.09	326.40	5.02	-48.07
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020222519	1	40	0.0	-51.60	325.68	5.09	-46.51
CC(C(=O)N(C)CC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222520	0	45	0.0	-49.22	345.86	6.56	-42.66
CC(C(=O)N(C)CC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222520	1	45	0.0	-54.49	346.26	6.43	-48.06
CC(C(=O)N(C)CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222520	1	44	-1.0	-55.90	343.57	4.08	-51.82
CC(C(=O)N(C)CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222520	1	44	-1.0	-55.90	343.63	4.09	-51.81
CCCCN1C2=C(C(=O)NC1=O)N(CC)C(CN1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020222521	0	52	-1.0	-46.76	402.64	3.11	-43.65
CCCCN1C2=C(C(=O)NC1=O)N(CC)C(CN1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020222521	1	52	-1.0	-46.74	402.71	3.13	-43.61
CC1=CC(C)=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020222522	0	47	-1.0	-40.73	363.68	4.43	-36.30
CC1=CC(C)=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222522	1	48	0.0	-51.87	364.76	6.84	-45.03
CC1=CC(C)=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222522	1	48	0.0	-54.84	365.95	6.76	-48.08
CC1=CC(C)=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222522	1	47	-1.0	-40.76	363.76	4.44	-36.32
CC(C(=O)NC1=CC=CC2=CC=CC=C21)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222523	0	45	0.0	-53.35	351.21	7.08	-46.27
CC(C(=O)NC1=CC=CC2=CC=CC=C21)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222523	1	45	0.0	-57.69	350.57	6.95	-50.74
CC(C(=O)NC1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020222523	1	44	-1.0	-46.95	347.68	4.56	-42.39
CC(C(=O)NC1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020222523	1	44	-1.0	-46.97	347.74	4.58	-42.39
CC(C(=O)NC1=CC=C(N2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222524	0	53	-1.0	-40.69	398.43	3.49	-37.20
CC(C(=O)NC1=CC=C(N2CCCCC2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222524	1	54	0.0	-54.92	401.27	5.76	-49.16
CC(C(=O)NC1=CC=C(N2CCCCC2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222524	1	54	0.0	-46.68	399.28	5.82	-40.86
CC(C(=O)NC1=CC=C(N2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222524	1	53	-1.0	-40.68	398.51	3.51	-37.17
CC(C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222525	0	51	-1.0	-41.33	406.70	6.39	-34.94
CC(C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222525	1	52	0.0	-45.19	409.03	8.79	-36.40
CC(C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222525	1	52	0.0	-47.16	407.51	8.73	-38.43
CC(C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222525	1	51	-1.0	-41.30	406.77	6.40	-34.90
CC(C)C(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020222526	0	47	-1.0	-45.36	368.64	3.70	-41.66
CC(C)C(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020222526	1	47	-1.0	-45.36	368.71	3.71	-41.65
COC(=O)C1=CC=CC=C1N(C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222527	0	44	-1.0	-49.59	359.39	4.55	-45.04
COC(=O)C1=CC=CC=C1N(C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222527	1	44	-1.0	-49.62	359.46	4.55	-45.07
CC(C1=CC=C(F)C=C1)N(C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222528	0	44	-1.0	-48.49	347.27	4.07	-44.42
CC(C1=CC=C(F)C=C1)N(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222528	1	45	0.0	-53.07	351.16	6.73	-46.34
CC(C1=CC=C(F)C=C1)N(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222528	1	45	0.0	-53.34	351.03	6.72	-46.62
CC(C1=CC=C(F)C=C1)N(C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222528	1	44	-1.0	-48.49	347.35	4.08	-44.41
CC1=NN(C2CCS(=O)(=O)C2)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222529	0	48	-1.0	-58.00	394.39	-0.26	-58.26
CC1=NN(C2CCS(=O)(=O)C2)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222529	1	48	-1.0	-58.00	394.46	-0.26	-58.26
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=NN1CC1=CC=CS1	REAL300020222530	0	42	-1.0	-48.02	358.17	3.05	-44.97
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=NN1CC1=CC=CS1	REAL300020222530	1	42	-1.0	-47.99	358.23	3.07	-44.92
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=NN1CC1=CC=CC=C1Cl	REAL300020222531	0	45	-1.0	-49.02	381.37	4.37	-44.65
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=NN1CC1=CC=CC=C1Cl	REAL300020222531	1	45	-1.0	-49.06	381.44	4.38	-44.68
CC1=CC=C(C)C(NC(=O)C(C2=CC=CC=C2)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222532	0	51	-1.0	-50.23	404.44	7.02	-43.21
CC1=CC=C(C)C(NC(=O)C(C2=CC=CC=C2)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222532	1	51	-1.0	-50.24	404.52	7.03	-43.21
CC1=CC=C(NC(=O)C(C2=CC=CC=C2)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020222533	0	48	-1.0	-43.86	400.94	6.71	-37.15
CC1=CC=C(NC(=O)C(C2=CC=CC=C2)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020222533	1	48	-1.0	-43.88	401.01	6.73	-37.15
COC1=CC=C(C)C=C1NC(=O)C(C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222534	0	52	-1.0	-49.11	417.17	5.54	-43.57
COC1=CC=C(C)C=C1NC(=O)C(C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222534	1	52	-1.0	-49.11	417.23	5.55	-43.56
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC(Cl)=C1	REAL300020222535	0	38	-1.0	-44.21	328.79	2.03	-42.18
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC(Cl)=C1	REAL300020222535	1	38	-1.0	-44.24	328.85	2.04	-42.20
CC1=CC=C(NC(=O)C(C2=CC=CC=C2)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222536	0	48	-1.0	-46.01	373.69	5.25	-40.76
CC1=CC=C(NC(=O)C(C2=CC=CC=C2)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222536	1	48	-1.0	-45.93	373.76	5.27	-40.66
O=C(NC1=CC=C(F)C=C1)C(C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222537	0	45	-1.0	-52.47	370.45	5.53	-46.94
O=C(NC1=CC=C(F)C=C1)C(C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222537	1	45	-1.0	-52.43	370.52	5.55	-46.88
COC1=CC=C(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C(OC)=C1	REAL300020222538	0	44	-1.0	-49.47	358.01	0.71	-48.76
COC1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C(OC)=C1	REAL300020222538	1	44	-1.0	-49.49	358.08	0.73	-48.76
CC1=CC(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)=C(C)O1	REAL300020222539	0	39	-1.0	-42.36	330.04	-0.82	-43.18
CC1=CC(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)=C(C)O1	REAL300020222539	1	39	-1.0	-42.32	330.11	-0.82	-43.14
C1=C(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)SC2=C1CCCC2	REAL300020222540	0	43	-1.0	-48.61	356.38	0.74	-47.87
C1=C(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)SC2=C1CCCC2	REAL300020222540	1	43	-1.0	-48.59	356.45	0.76	-47.83
FC(F)OC1=CC=C(Cl)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020222541	0	35	-1.0	-40.38	311.22	3.22	-37.16
FC(F)OC1=CC=C(Cl)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222541	1	36	0.0	-47.50	312.35	5.82	-41.68
FC(F)OC1=CC=C(Cl)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222541	1	36	0.0	-46.08	311.39	5.76	-40.32
FC(F)OC1=CC=C(Cl)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020222541	1	35	-1.0	-40.38	311.30	3.23	-37.15
CN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1(C#N)CCCCC1	REAL300020222542	0	45	-1.0	-50.88	338.74	2.61	-48.27
CN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1(C#N)CCCCC1	REAL300020222542	1	45	-1.0	-50.92	338.80	2.63	-48.29
COC1=CC=CC=C1CN(C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222543	0	45	-1.0	-46.93	354.75	3.25	-43.68
COC1=CC=CC=C1CN(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222543	1	46	0.0	-45.42	361.29	5.68	-39.74
COC1=CC=CC=C1CN(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222543	1	46	0.0	-48.89	360.77	5.63	-43.26
COC1=CC=CC=C1CN(C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222543	1	45	-1.0	-46.95	354.82	3.26	-43.69
CN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1CCCC2=CC=CC=C21	REAL300020222544	0	48	-1.0	-41.20	369.39	5.95	-35.25
CN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCC2=CC=CC=C21	REAL300020222544	1	49	0.0	-45.24	369.77	8.23	-37.01
CN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCC2=CC=CC=C21	REAL300020222544	1	49	0.0	-45.58	370.04	8.22	-37.36
CN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1CCCC2=CC=CC=C21	REAL300020222544	1	48	-1.0	-41.20	369.46	5.96	-35.24
CC(C(=O)NCC1CCCCC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222545	0	48	0.0	-45.52	355.82	5.07	-40.45
CC(C(=O)NCC1CCCCC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222545	1	48	0.0	-53.46	355.88	5.08	-48.38
CC(C(=O)NCC1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222545	1	47	-1.0	-42.20	352.12	2.73	-39.47
CC(C(=O)NCC1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222545	1	47	-1.0	-42.17	352.19	2.74	-39.43
CSC1=CC=CC=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222546	0	42	-1.0	-40.78	343.32	3.37	-37.41
CSC1=CC=CC=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222546	1	42	-1.0	-40.77	343.39	3.38	-37.39
ClC1=CC=C(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020222547	0	36	-1.0	-39.05	325.31	-0.41	-39.46
ClC1=CC=C(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020222547	1	36	-1.0	-39.01	325.37	-0.39	-39.40
O=[N+]([O-])C1=CC=C(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020222548	0	38	-1.0	-41.48	336.22	-0.06	-41.54
O=[N+]([O-])C1=CC=C(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020222548	1	38	-1.0	-41.48	336.29	-0.06	-41.54
O=[N+]([O-])C1=CC2=C(OCOC2)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222549	0	40	0.0	-49.79	323.67	5.40	-44.39
O=[N+]([O-])C1=CC2=C(OCOC2)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222549	1	40	0.0	-51.88	329.15	5.43	-46.45
O=[N+]([O-])C1=CC2=C(OCOC2)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222549	1	39	-1.0	-41.76	327.74	2.80	-38.96
O=[N+]([O-])C1=CC2=C(OCOC2)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222549	1	39	-1.0	-41.75	327.80	2.82	-38.93
CC(C(=O)NC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222550	0	41	-1.0	-39.31	344.90	3.21	-36.10
CC(C(=O)NC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222550	1	41	-1.0	-39.30	344.97	3.23	-36.07
CC(C(=O)NC1=CC=CC(C(F)(F)F)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222550	1	42	0.0	-53.11	347.40	5.65	-47.46
CC(C(=O)NC1=CC=CC(C(F)(F)F)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222550	1	42	0.0	-46.16	346.86	5.52	-40.64
CC(C(=O)NCCC1=CCCCC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222551	0	49	0.0	-42.55	371.39	5.68	-36.87
CC(C(=O)NCCC1=CCCCC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222551	1	49	0.0	-50.36	370.20	5.70	-44.66
CC(C(=O)NCCC1=CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222551	1	48	-1.0	-40.00	369.10	3.35	-36.65
CC(C(=O)NCCC1=CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222551	1	48	-1.0	-40.01	369.17	3.36	-36.65
CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222552	0	51	0.0	-50.47	385.32	2.26	-48.21
CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222552	1	51	0.0	-49.91	385.07	2.32	-47.59
CN(C)C(=O)CN1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222552	1	50	-1.0	-50.73	376.96	-0.44	-51.17
CN(C)C(=O)CN1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222552	1	50	-1.0	-50.76	377.04	-0.43	-51.19
C1=CC=C(C2=NOC(CCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020222553	0	43	0.0	-55.35	352.44	5.78	-49.57
C1=CC=C(C2=NOC(CCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020222553	1	43	0.0	-55.97	352.40	5.81	-50.16
C1=CC=C(C2=NOC(CCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020222553	1	43	0.0	-55.31	352.37	5.78	-49.53
C1=CC=C(C2=NOC(CCC[N@H+]3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020222553	1	43	0.0	-55.97	352.33	5.79	-50.18
CCCCN1C2=C(C(=O)NC1=O)N(C)C(CN1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020222554	0	49	-1.0	-40.11	396.19	2.80	-37.31
CCCCN1C2=C(C(=O)NC1=O)N(C)C(CN1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020222554	1	49	-1.0	-40.19	396.26	2.82	-37.37
FC1=CC=C(C2=CN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020222555	0	37	-1.0	-39.40	318.62	1.65	-37.75
FC1=CC=C(C2=CN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020222555	1	37	-1.0	-39.39	318.69	1.67	-37.72
OC(COC1CCCC2=CC=CC=C21)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222556	0	50	0.0	-49.71	381.98	5.58	-44.13
OC(COC1CCCC2=CC=CC=C21)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222556	1	50	0.0	-53.44	384.46	5.33	-48.11
OC(COC1=CC=CC(Cl)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222557	0	40	0.0	-53.31	334.41	3.69	-49.62
OC(COC1=CC=CC(Cl)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222557	1	40	0.0	-53.80	332.73	3.82	-49.98
COC1=CC=C(CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020222558	0	49	-1.0	-49.59	387.98	2.79	-46.80
COC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222558	1	50	0.0	-53.45	392.55	5.42	-48.03
COC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222558	1	50	0.0	-49.78	393.26	5.42	-44.36
COC1=CC=C(CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222558	1	49	-1.0	-49.56	388.04	2.80	-46.76
CC(C(=O)NCC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222559	0	42	0.0	-47.35	333.83	4.69	-42.66
CC(C(=O)NCC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222559	1	42	0.0	-42.45	334.17	4.66	-37.79
CC(C(=O)NCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222559	1	41	-1.0	-51.51	331.60	2.34	-49.17
CC(C(=O)NCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222559	1	41	-1.0	-51.47	331.67	2.35	-49.12
C1=CC=C(C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020222560	0	42	0.0	-46.91	332.63	8.96	-37.95
C1=CC=C(C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020222560	1	42	0.0	-48.41	330.41	8.95	-39.46
CC(NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020222561	0	44	-1.0	-45.93	378.32	4.10	-41.83
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020222561	1	45	0.0	-45.19	381.47	6.49	-38.70
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020222561	1	45	0.0	-52.63	380.36	6.52	-46.11
CC(NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020222561	1	44	-1.0	-45.93	378.39	4.11	-41.82
CN1C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)N2C2=CC=CC=C2C1=O	REAL300020222562	0	42	-1.0	-42.41	341.52	6.52	-35.89
CN1C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)N2C2=CC=CC=C2C1=O	REAL300020222562	1	42	-1.0	-42.41	341.60	6.53	-35.88
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020222563	0	45	0.0	-45.40	357.90	5.59	-39.81
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020222563	1	45	0.0	-55.82	357.68	5.59	-50.23
CC(NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020222563	1	44	-1.0	-43.40	354.07	3.27	-40.13
CC(NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020222563	1	44	-1.0	-43.40	354.14	3.28	-40.12
NC(=O)CCS(=O)(=O)CCN1CCC(C2=N[N-]N=N2)C1	REAL300020222564	0	37	-1.0	-51.72	317.20	-4.74	-56.46
NC(=O)CCS(=O)(=O)CCN1CCC(C2=NN=N[N-]2)C1	REAL300020222564	1	37	-1.0	-51.73	317.27	-4.73	-56.46
NC(=O)CCS(=O)(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222564	1	38	0.0	-60.53	321.33	-2.13	-62.66
NC(=O)CCS(=O)(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222564	1	38	0.0	-63.94	322.06	-2.00	-65.94
CC(C(=O)NCCC1=CC=C(F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222565	0	45	0.0	-50.56	361.68	5.53	-45.03
CC(C(=O)NCCC1=CC=C(F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222565	1	45	0.0	-46.63	361.92	5.55	-41.08
CC(C(=O)NCCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222565	1	44	-1.0	-42.15	359.66	3.18	-38.97
CC(C(=O)NCCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222565	1	44	-1.0	-42.07	359.73	3.20	-38.87
CCN1CCN(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222566	0	47	0.0	-45.97	347.00	2.96	-43.01
CCN1CCN(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222566	1	47	0.0	-51.49	346.14	2.84	-48.65
CN(C)S(=O)(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222567	0	43	0.0	-53.89	354.08	3.56	-50.33
CN(C)S(=O)(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222567	1	43	0.0	-52.64	351.01	3.54	-49.10
CN(C)S(=O)(=O)C1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222567	1	42	-1.0	-40.00	342.37	0.62	-39.38
CN(C)S(=O)(=O)C1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222567	1	42	-1.0	-40.00	342.44	0.64	-39.36
CCOC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222568	0	43	0.0	-49.71	336.95	5.72	-43.99
CCOC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222568	1	43	0.0	-48.38	339.49	5.58	-42.80
FC1=CC(Br)=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020222569	0	31	-1.0	-37.62	276.36	3.68	-33.94
FC1=CC(Br)=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020222569	1	31	-1.0	-37.62	276.43	3.69	-33.93
FC1=CC(Br)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222569	1	32	0.0	-49.07	283.08	6.28	-42.79
FC1=CC(Br)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222569	1	32	0.0	-49.75	286.07	6.28	-43.47
C1=CC=C(C(C2=CC=CC=C2)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222570	0	42	0.0	-41.82	329.71	9.25	-32.57
C1=CC=C(C(C2=CC=CC=C2)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222570	1	42	0.0	-42.78	329.60	9.25	-33.53
C1=CC=C(C(C2=CC=CC=C2)[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222570	1	42	0.0	-41.79	329.64	9.23	-32.56
C1=CC=C(C(C2=CC=CC=C2)[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222570	1	42	0.0	-42.74	329.54	9.24	-33.50
CCOC1=CC=C(C(C)=O)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222571	0	44	0.0	-45.10	347.89	6.37	-38.73
CCOC1=CC=C(C(C)=O)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222571	1	44	0.0	-45.76	346.95	6.31	-39.45
ClC1=CC=C(C2=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N3C=CSC3=N2)C=C1	REAL300020222572	0	42	0.0	-55.09	370.12	9.17	-45.92
ClC1=CC=C(C2=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N3C=CSC3=N2)C=C1	REAL300020222572	1	42	0.0	-51.42	366.10	9.06	-42.36
O=C(C(C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCCC1	REAL300020222573	0	49	0.0	-46.23	368.12	7.62	-38.61
O=C(C(C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCCC1	REAL300020222573	1	49	0.0	-41.80	367.73	7.68	-34.12
CCOC(=O)N1CCC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222574	0	49	-1.0	-47.36	384.14	0.80	-46.56
CCOC(=O)N1CCC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222574	1	49	-1.0	-47.34	384.20	0.82	-46.52
CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222574	1	50	0.0	-51.68	389.12	3.45	-48.23
CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222574	1	50	0.0	-54.99	388.79	3.45	-51.54
CSC1=CC=C(CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222575	0	45	-1.0	-47.16	371.26	4.80	-42.36
CSC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222575	1	46	0.0	-49.93	374.24	7.26	-42.67
CSC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222575	1	46	0.0	-49.66	374.09	7.26	-42.40
CSC1=CC=C(CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222575	1	45	-1.0	-47.18	371.33	4.81	-42.37
CC1=CC=C(C)C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222576	0	44	-1.0	-46.44	344.27	3.68	-42.76
CC1=CC=C(C)C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222576	1	45	0.0	-52.10	348.23	6.23	-45.87
CC1=CC=C(C)C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222576	1	45	0.0	-51.82	346.26	6.10	-45.72
CC1=CC=C(C)C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222576	1	44	-1.0	-46.43	344.33	3.70	-42.73
CCOC1=CC=CC=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222577	0	45	-1.0	-45.55	354.92	2.51	-43.04
CCOC1=CC=CC=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222577	1	45	-1.0	-45.56	354.99	2.53	-43.03
CC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1S(N)(=O)=O	REAL300020222578	0	43	-1.0	-50.66	359.20	-2.59	-53.25
CC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1S(N)(=O)=O	REAL300020222578	1	43	-1.0	-50.72	359.27	-2.58	-53.30
CC1=CC(S(N)(=O)=O)=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020222579	0	46	-1.0	-57.29	377.58	-2.03	-59.32
CC1=CC(S(N)(=O)=O)=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222579	1	46	-1.0	-57.31	377.65	-2.02	-59.33
CC1=CC=CC(OCCNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222580	0	45	-1.0	-45.86	363.36	1.81	-44.05
CC1=CC=CC(OCCNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222580	1	45	-1.0	-45.89	363.43	1.82	-44.07
O=C1C2=CC=CC=C2C(=O)N1CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222581	0	42	0.0	-50.25	346.31	5.95	-44.30
O=C1C2=CC=CC=C2C(=O)N1CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222581	1	42	0.0	-50.27	346.32	5.95	-44.32
O=C1C2=CC=CC=C2C(=O)N1CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222581	1	42	0.0	-50.22	346.25	5.94	-44.28
O=C1C2=CC=CC=C2C(=O)N1CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222581	1	42	0.0	-50.21	346.25	5.94	-44.27
BrC1=CC=CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020222582	0	36	-1.0	-40.52	328.71	2.55	-37.97
BrC1=CC=CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020222582	1	36	-1.0	-40.51	328.78	2.55	-37.96
C1=CC=C(OC2=CC=CC=C2C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222583	0	43	0.0	-43.48	338.81	8.39	-35.09
C1=CC=C(OC2=CC=CC=C2C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222583	1	43	0.0	-41.23	343.24	8.40	-32.83
CC(=O)C1=C(C)C=C(C)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222584	0	46	0.0	-47.23	347.00	7.58	-39.65
CC(=O)C1=C(C)C=C(C)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222584	1	46	0.0	-50.04	347.20	7.34	-42.70
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1OC(F)F	REAL300020222585	0	39	-1.0	-47.48	326.15	1.27	-46.21
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1OC(F)F	REAL300020222585	1	39	-1.0	-47.50	326.23	1.28	-46.22
COC1=CC=C(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020222586	0	40	-1.0	-41.43	336.86	1.25	-40.18
COC1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020222586	1	40	-1.0	-41.45	336.93	1.26	-40.19
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300020222587	0	48	-1.0	-46.54	405.43	6.27	-40.27
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300020222587	1	48	-1.0	-46.56	405.50	6.29	-40.27
CC(=O)N1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222588	0	43	0.0	-53.11	328.71	3.12	-49.99
CC(=O)N1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222588	1	43	0.0	-56.27	330.60	3.24	-53.03
CC(=O)N1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222588	1	42	-1.0	-48.50	324.65	0.48	-48.02
CC(=O)N1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222588	1	42	-1.0	-48.52	324.71	0.50	-48.02
COC1=CC2=CC=C(CN(C)C(=O)CN3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020222589	0	51	-1.0	-51.05	404.25	5.13	-45.92
COC1=CC2=CC=C(CN(C)C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222589	1	52	0.0	-49.49	409.74	7.83	-41.66
COC1=CC2=CC=C(CN(C)C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222589	1	52	0.0	-48.21	409.86	7.76	-40.45
COC1=CC2=CC=C(CN(C)C(=O)CN3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222589	1	51	-1.0	-51.10	404.31	5.14	-45.96
C1=CC=C(CN2N=NN=C2CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222590	0	39	-1.0	-41.58	323.80	3.81	-37.77
C1=CC=C(CN2N=NN=C2CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222590	1	39	-1.0	-41.58	323.87	3.83	-37.75
COC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020222591	0	38	-1.0	-44.87	327.16	1.45	-43.42
COC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020222591	1	38	-1.0	-44.87	327.23	1.45	-43.42
CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222592	0	54	-1.0	-54.09	423.41	4.74	-49.35
CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222592	1	54	-1.0	-54.16	423.47	4.75	-49.41
CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222592	1	55	0.0	-51.23	428.13	7.39	-43.84
CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222592	1	55	0.0	-49.34	428.76	7.44	-41.90
CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020222593	0	41	-1.0	-39.77	354.55	3.34	-36.43
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020222593	1	42	0.0	-51.91	355.60	5.64	-46.27
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020222593	1	42	0.0	-51.81	355.50	5.64	-46.17
CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020222593	1	41	-1.0	-39.79	354.63	3.35	-36.44
CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020222594	0	41	-1.0	-39.81	349.99	3.23	-36.58
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222594	1	42	0.0	-51.94	351.03	5.54	-46.40
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222594	1	42	0.0	-51.84	350.94	5.54	-46.30
CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222594	1	41	-1.0	-39.86	350.06	3.25	-36.61
CC1=CC(C(C)(C)C)=CC(C)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222595	0	50	0.0	-41.87	363.27	8.89	-32.98
CC1=CC(C(C)(C)C)=CC(C)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222595	1	50	0.0	-42.07	360.89	8.90	-33.17
CC1=CC(C(C)(C)C)=CC(C)=C1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222595	1	50	0.0	-41.86	363.21	8.87	-32.99
CC1=CC(C(C)(C)C)=CC(C)=C1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222595	1	50	0.0	-42.03	360.81	8.88	-33.15
CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1CC2CCC1C2	REAL300020222596	0	48	-1.0	-44.61	355.40	2.90	-41.71
CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1CC2CCC1C2	REAL300020222596	1	48	-1.0	-44.62	355.46	2.92	-41.70
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CC2CCC1C2	REAL300020222596	1	49	0.0	-45.10	360.55	5.50	-39.60
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CC2CCC1C2	REAL300020222596	1	49	0.0	-45.32	361.96	5.74	-39.58
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCCC1=CC=CC=C1	REAL300020222597	0	44	-1.0	-45.35	355.05	3.07	-42.28
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCC1=CC=CC=C1	REAL300020222597	1	45	0.0	-46.94	360.20	5.70	-41.24
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCC1=CC=CC=C1	REAL300020222597	1	45	0.0	-46.88	360.65	5.70	-41.18
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCCC1=CC=CC=C1	REAL300020222597	1	44	-1.0	-45.34	355.12	3.08	-42.26
CCC1CCCCN1C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222598	0	48	0.0	-44.07	341.96	5.76	-38.31
CCC1CCCCN1C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222598	1	48	0.0	-40.21	340.14	5.72	-34.49
CCC1CCCCN1C(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222598	1	47	-1.0	-49.33	339.95	3.46	-45.87
CCC1CCCCN1C(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222598	1	47	-1.0	-49.31	340.02	3.47	-45.84
CCN(CC1=CC=CC=C1)C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222599	0	48	0.0	-53.67	364.82	7.32	-46.35
CCN(CC1=CC=CC=C1)C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222599	1	48	0.0	-48.67	367.75	7.46	-41.21
CCN(CC1=CC=CC=C1)C(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222599	1	47	-1.0	-55.28	362.51	5.01	-50.27
CCN(CC1=CC=CC=C1)C(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222599	1	47	-1.0	-55.30	362.58	5.03	-50.27
COC(=O)C1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222600	0	45	0.0	-52.19	349.68	4.93	-47.26
COC(=O)C1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222600	1	45	0.0	-56.58	349.09	4.91	-51.67
COC(=O)C1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222600	1	44	-1.0	-48.00	346.87	2.59	-45.41
COC(=O)C1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222600	1	44	-1.0	-48.05	346.94	2.59	-45.46
CC(C(=O)NC1CCCCC1C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222601	0	47	-1.0	-39.43	349.00	3.30	-36.13
CC(C(=O)NC1CCCCC1C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222601	1	48	0.0	-49.10	351.16	5.73	-43.37
CC(C(=O)NC1CCCCC1C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222601	1	48	0.0	-53.69	355.48	5.22	-48.47
CC(C(=O)NC1CCCCC1C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222601	1	47	-1.0	-39.45	349.07	3.31	-36.14
CCOC(=O)C1=C(CN2CCC(C3=N[N-]N=N3)C2)NC(=O)NC1C	REAL300020222602	0	44	-1.0	-43.26	337.02	-0.33	-43.59
CCOC(=O)C1=C(CN2CCC(C3=NN=N[N-]3)C2)NC(=O)NC1C	REAL300020222602	1	44	-1.0	-43.23	337.10	-0.32	-43.55
CCOC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020222603	0	49	-1.0	-42.84	392.10	2.80	-40.04
CCOC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020222603	1	49	-1.0	-42.81	392.17	2.81	-40.00
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1CCS(=O)(=O)C1	REAL300020222604	0	38	-1.0	-50.93	316.18	-3.34	-54.27
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1CCS(=O)(=O)C1	REAL300020222604	1	38	-1.0	-50.92	316.25	-3.32	-54.24
O=[N+]([O-])C1=CC=CC(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222605	0	42	0.0	-61.03	348.02	3.63	-57.40
O=[N+]([O-])C1=CC=CC(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222605	1	42	0.0	-61.48	344.20	3.98	-57.50
COC(=O)C1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222606	0	46	0.0	-55.59	374.82	3.64	-51.95
COC(=O)C1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222606	1	46	0.0	-58.03	374.58	3.67	-54.36
CN(CC1=C(F)C=CC=C1Cl)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222607	0	41	-1.0	-48.43	340.94	3.99	-44.44
CN(CC1=C(F)C=CC=C1Cl)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222607	1	41	-1.0	-48.43	341.02	3.99	-44.44
CN(CC1=CC=CS1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222608	0	38	-1.0	-47.12	322.10	2.88	-44.24
CN(CC1=CC=CS1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222608	1	38	-1.0	-47.15	322.17	2.88	-44.27
CC1CCCCC1NC(=O)NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222609	0	48	-1.0	-53.82	364.88	2.57	-51.25
CC1CCCCC1NC(=O)NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222609	1	48	-1.0	-53.80	364.94	2.59	-51.21
COC1=CC=C(N2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020222610	0	52	0.0	-49.59	393.12	4.53	-45.06
COC1=CC=C(N2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020222610	1	52	0.0	-49.67	393.27	4.57	-45.10
COC1=CC=C(N2CCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020222610	1	51	-1.0	-46.46	387.88	1.84	-44.62
COC1=CC=C(N2CCN(C(=O)CN3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020222610	1	51	-1.0	-46.49	387.95	1.86	-44.63
COC1=CC=CC=C1CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222611	0	42	-1.0	-47.69	342.12	1.03	-46.66
COC1=CC=CC=C1CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222611	1	42	-1.0	-47.73	342.19	1.04	-46.69
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1=CC=CC=C1	REAL300020222612	0	41	-1.0	-46.22	333.55	2.29	-43.93
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=CC=C1	REAL300020222612	1	42	0.0	-52.05	338.35	4.94	-47.11
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=CC=C1	REAL300020222612	1	42	0.0	-47.65	339.15	4.92	-42.73
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=CC=C1	REAL300020222612	1	41	-1.0	-46.25	333.62	2.30	-43.95
CC(C(=O)NC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222613	0	42	-1.0	-45.67	350.21	2.08	-43.59
CC(C(=O)NC1=CC=C(OC(F)(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222613	1	43	0.0	-56.58	353.54	4.28	-52.30
CC(C(=O)NC1=CC=C(OC(F)(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222613	1	43	0.0	-48.68	352.32	4.33	-44.35
CC(C(=O)NC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222613	1	42	-1.0	-45.69	350.29	2.10	-43.59
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CS1)C1=CC=C(F)C=C1	REAL300020222614	0	45	-1.0	-45.73	387.33	4.78	-40.95
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CS1)C1=CC=C(F)C=C1	REAL300020222614	1	45	-1.0	-45.71	387.41	4.79	-40.92
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020222615	0	48	0.0	-49.11	380.32	5.75	-43.36
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020222615	1	48	0.0	-48.62	380.48	5.80	-42.82
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020222615	1	47	-1.0	-46.20	375.09	3.06	-43.14
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020222615	1	47	-1.0	-46.24	375.15	3.08	-43.16
CCOC(=O)C1C(CN2CCC(C3=N[N-]N=N3)C2)=NC(=O)NC1C1=CC=CC=C1	REAL300020222616	0	51	-1.0	-57.14	409.57	3.32	-53.82
CCOC(=O)C1C(CN2CCC(C3=NN=N[N-]3)C2)=NC(=O)NC1C1=CC=CC=C1	REAL300020222616	1	51	-1.0	-57.14	409.64	3.33	-53.81
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC2=C(C=C1Cl)OCCCO2	REAL300020222617	0	44	-1.0	-46.24	362.89	1.94	-44.30
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC2=C(C=C1Cl)OCCCO2	REAL300020222617	1	44	-1.0	-46.28	362.95	1.96	-44.32
CC1CCC2=CC=CC=C2N1C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222618	0	45	-1.0	-53.20	329.61	4.16	-49.04
CC1CCC2=CC=CC=C2N1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222618	1	46	0.0	-51.55	338.35	6.95	-44.60
CC1CCC2=CC=CC=C2N1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222618	1	46	0.0	-47.28	338.32	7.02	-40.26
CC1CCC2=CC=CC=C2N1C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222618	1	45	-1.0	-53.18	329.68	4.16	-49.02
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(=O)NCC1=CC=CO1	REAL300020222619	0	39	-1.0	-54.16	328.36	-0.26	-54.42
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(=O)NCC1=CC=CO1	REAL300020222619	1	39	-1.0	-54.18	328.43	-0.25	-54.43
CCOC1=CC=C(N(CCC#N)C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222620	0	49	-1.0	-48.81	402.43	4.86	-43.95
CCOC1=CC=C(N(CCC#N)C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222620	1	49	-1.0	-48.81	402.50	4.86	-43.95
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCC2=C(C=CS2)C1	REAL300020222621	0	39	-1.0	-43.43	321.51	3.24	-40.19
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1	REAL300020222621	1	40	0.0	-47.64	324.14	5.51	-42.13
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1	REAL300020222621	1	40	0.0	-46.64	324.59	5.52	-41.12
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1	REAL300020222621	1	39	-1.0	-43.43	321.58	3.24	-40.19
OC(CN1C2=C(C=CC=C2)C2=C1C=CC=C2)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222622	0	49	0.0	-54.05	387.32	7.49	-46.56
OC(CN1C2=C(C=CC=C2)C2=C1C=CC=C2)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222622	1	49	0.0	-54.96	385.76	7.65	-47.31
FC(F)(F)OC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222623	0	36	0.0	-49.43	303.25	5.41	-44.02
FC(F)(F)OC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222623	1	36	0.0	-49.60	303.72	5.32	-44.28
C1=CC2=CC=C(OCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222624	0	42	0.0	-50.28	330.87	7.83	-42.45
C1=CC2=CC=C(OCC[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222624	1	42	0.0	-51.94	333.35	7.57	-44.37
ClC1=CC=C(CC2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222625	0	40	-1.0	-40.05	353.70	5.05	-35.00
ClC1=CC=C(CC2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222625	1	40	-1.0	-40.04	353.77	5.07	-34.97
ClC1=CC=C(CC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222625	1	41	0.0	-43.76	363.89	7.60	-36.16
ClC1=CC=C(CC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222625	1	41	0.0	-45.85	364.07	7.79	-38.06
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)O1	REAL300020222626	0	41	0.0	-49.16	329.62	4.52	-44.64
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)O1	REAL300020222626	1	41	0.0	-47.20	337.73	4.93	-42.27
CC1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)O1	REAL300020222626	1	40	-1.0	-41.74	332.95	2.43	-39.31
ClC1=CC=C2C(=C1)N=C(CN1CCC(C3=N[N-]N=N3)C1)N2CC1=CC=CC=C1	REAL300020222627	0	47	-1.0	-47.65	385.68	7.03	-40.62
ClC1=CC=C2C(=C1)N=C(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)N2CC1=CC=CC=C1	REAL300020222627	1	48	0.0	-51.76	399.29	10.13	-41.63
ClC1=CC=C2C(=C1)N=C(C[N@H+]1CCC(C3=NN=N[N-]3)C1)N2CC1=CC=CC=C1	REAL300020222627	1	48	0.0	-52.70	398.52	10.31	-42.39
ClC1=CC=C2C(=C1)N=C(CN1CCC(C3=NN=N[N-]3)C1)N2CC1=CC=CC=C1	REAL300020222627	1	47	-1.0	-47.67	385.76	7.04	-40.63
CC(=O)C(CC1=CC=CC=C1)NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222628	0	46	-1.0	-48.67	374.60	3.32	-45.35
CC(=O)C(CC1=CC=CC=C1)NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222628	1	46	-1.0	-48.68	374.66	3.34	-45.34
FC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020222629	0	31	-1.0	-39.49	281.12	4.02	-35.47
FC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020222629	1	32	0.0	-47.59	279.25	6.19	-41.40
FC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020222629	1	32	0.0	-49.03	282.02	6.23	-42.80
FC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020222629	1	31	-1.0	-39.50	281.20	4.03	-35.47
CC(C)(CNC(=O)CN1CCC(C2=N[N-]N=N2)C1)N1CCOCC1	REAL300020222630	0	50	-1.0	-44.42	367.79	-1.58	-46.00
CC(C)(CNC(=O)CN1CCC(C2=NN=N[N-]2)C1)N1CCOCC1	REAL300020222630	1	50	-1.0	-44.42	367.85	-1.57	-45.99
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCCSC1=CC=CC=C1	REAL300020222631	0	45	-1.0	-46.17	373.86	3.51	-42.66
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCSC1=CC=CC=C1	REAL300020222631	1	46	0.0	-52.12	378.66	6.16	-45.96
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCSC1=CC=CC=C1	REAL300020222631	1	46	0.0	-48.44	379.45	6.14	-42.30
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCCSC1=CC=CC=C1	REAL300020222631	1	45	-1.0	-46.16	373.92	3.53	-42.63
CCC(C)C(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C(=O)OC	REAL300020222632	0	46	-1.0	-43.13	355.53	1.55	-41.58
CCC(C)C(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C(=O)OC	REAL300020222632	1	46	-1.0	-43.17	355.60	1.57	-41.60
FC(F)(F)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222633	0	41	0.0	-45.40	362.64	7.38	-38.02
FC(F)(F)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222633	1	41	0.0	-48.08	360.93	7.72	-40.36
FC(F)(F)C1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222633	1	40	-1.0	-38.54	359.90	4.82	-33.72
FC(F)(F)C1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222633	1	40	-1.0	-38.52	359.96	4.84	-33.68
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(=O)NCC(F)(F)F	REAL300020222634	0	35	-1.0	-52.10	307.03	-0.92	-53.02
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(=O)NCC(F)(F)F	REAL300020222634	1	35	-1.0	-52.11	307.09	-0.91	-53.02
CC(C)C1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222635	0	44	-1.0	-46.76	344.50	3.72	-43.04
CC(C)C1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222635	1	44	-1.0	-46.77	344.57	3.72	-43.05
O=C(C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)N1CCCC1	REAL300020222636	0	46	0.0	-57.32	352.78	6.58	-50.74
O=C(C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)N1CCCC1	REAL300020222636	1	46	0.0	-56.04	353.02	6.59	-49.45
CC1=CC=C(C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C2=CC=CS2)C=C1	REAL300020222637	0	48	-1.0	-46.53	402.28	5.39	-41.14
CC1=CC=C(C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C2=CC=CS2)C=C1	REAL300020222637	1	48	-1.0	-46.51	402.36	5.39	-41.12
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCOC1=CC=C(Cl)C=C1	REAL300020222638	0	42	-1.0	-45.41	358.69	1.65	-43.76
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCOC1=CC=C(Cl)C=C1	REAL300020222638	1	42	-1.0	-45.47	358.75	1.67	-43.80
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(CC(F)(F)F)C1=CC=C(Cl)C=C1	REAL300020222639	0	41	-1.0	-50.78	360.89	4.91	-45.87
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(CC(F)(F)F)C1=CC=C(Cl)C=C1	REAL300020222639	1	41	-1.0	-50.74	360.97	4.91	-45.83
CC1=CC=CC=C1CCNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222640	0	44	-1.0	-47.44	350.61	2.95	-44.49
CC1=CC=CC=C1CCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222640	1	45	0.0	-47.99	354.08	5.38	-42.61
CC1=CC=CC=C1CCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222640	1	45	0.0	-48.78	354.25	5.47	-43.31
CC1=CC=CC=C1CCNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222640	1	44	-1.0	-47.49	350.68	2.97	-44.52
CC1=CC=CC(C(C)C)=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222641	0	47	-1.0	-44.99	362.47	4.39	-40.60
CC1=CC=CC(C(C)C)=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222641	1	47	-1.0	-45.03	362.53	4.41	-40.62
COC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222642	0	42	-1.0	-46.50	343.27	1.02	-45.48
COC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222642	1	42	-1.0	-46.50	343.34	1.04	-45.46
COC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020222643	0	46	-1.0	-47.28	370.81	0.72	-46.56
COC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222643	1	46	-1.0	-47.27	370.87	0.73	-46.54
NC(=O)CCN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222644	0	49	0.0	-51.50	391.60	3.96	-47.54
NC(=O)CCN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222644	1	49	0.0	-51.44	391.52	3.96	-47.48
NC(=O)CCN(CC1=CC=CC=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222644	1	48	-1.0	-50.61	386.90	1.30	-49.31
NC(=O)CCN(CC1=CC=CC=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222644	1	48	-1.0	-50.63	386.96	1.32	-49.31
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222645	0	42	0.0	-45.37	347.64	7.36	-38.01
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222645	1	42	0.0	-45.62	346.90	7.48	-38.14
CC1=NN(C2=CC=CC=C2)C(Cl)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020222645	1	41	-1.0	-45.17	333.79	4.44	-40.73
CC1=NN(C2=CC=CC=C2)C(Cl)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020222645	1	41	-1.0	-45.13	333.86	4.44	-40.69
CCOC1=CC=C(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020222646	0	43	-1.0	-41.07	358.71	2.18	-38.89
CCOC1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020222646	1	43	-1.0	-41.09	358.79	2.18	-38.91
O=[N+]([O-])C1=CC=CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020222647	0	38	-1.0	-44.44	335.61	2.61	-41.83
O=[N+]([O-])C1=CC=CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020222647	1	38	-1.0	-44.47	335.69	2.61	-41.86
CC(C)(C)C1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222648	0	51	0.0	-48.75	386.57	8.29	-40.46
CC(C)(C)C1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222648	1	51	0.0	-48.35	386.13	8.27	-40.08
CC(C)(C)C1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222648	1	51	0.0	-48.74	386.50	8.29	-40.45
CC(C)(C)C1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222648	1	51	0.0	-48.32	386.05	8.26	-40.06
CCOC(=O)C1CCCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)C1	REAL300020222649	0	47	-1.0	-45.67	368.91	3.52	-42.15
CCOC(=O)C1CCCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020222649	1	48	0.0	-54.03	370.80	5.77	-48.26
CCOC(=O)C1CCCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020222649	1	48	0.0	-49.89	371.75	5.78	-44.11
CCOC(=O)C1CCCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)C1	REAL300020222649	1	47	-1.0	-45.73	368.99	3.52	-42.21
N#CCCN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222650	0	42	-1.0	-48.44	351.01	4.65	-43.79
N#CCCN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222650	1	42	-1.0	-48.40	351.09	4.65	-43.75
N#CCCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222650	1	43	0.0	-59.29	353.23	7.08	-52.21
N#CCCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222650	1	43	0.0	-56.75	353.79	7.13	-49.62
CCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020222651	0	48	0.0	-48.36	379.36	9.38	-38.98
CCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020222651	1	48	0.0	-52.67	371.66	9.05	-43.62
CCN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020222651	1	47	-1.0	-42.74	377.75	7.04	-35.70
CCN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020222651	1	47	-1.0	-42.71	377.82	7.05	-35.66
COC1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222652	0	43	0.0	-50.99	339.91	5.26	-45.73
COC1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222652	1	43	0.0	-50.69	339.46	5.23	-45.46
COC1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222652	1	43	0.0	-50.94	339.84	5.25	-45.69
COC1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222652	1	43	0.0	-50.63	339.39	5.22	-45.41
CCN(CC1=CC=C(OC)C(OC)=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222653	0	52	-1.0	-48.86	407.94	3.70	-45.16
CCN(CC1=CC=C(OC)C(OC)=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222653	1	53	0.0	-49.52	413.18	6.39	-43.13
CCN(CC1=CC=C(OC)C(OC)=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222653	1	53	0.0	-50.17	413.28	6.40	-43.77
CCN(CC1=CC=C(OC)C(OC)=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222653	1	52	-1.0	-48.90	408.01	3.72	-45.18
COCCN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1CCS(=O)(=O)C1	REAL300020222654	0	48	-1.0	-50.95	380.35	-1.50	-52.45
COCCN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222654	1	48	-1.0	-50.94	380.42	-1.49	-52.43
COC1=CC(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)=CC(OC)=C1OC	REAL300020222655	0	48	-1.0	-43.00	399.86	-1.59	-44.59
COC1=CC(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)=CC(OC)=C1OC	REAL300020222655	1	48	-1.0	-43.05	399.93	-1.59	-44.64
ClC1=CC=CC=C1C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020222656	0	36	-1.0	-48.83	314.28	-0.39	-49.22
ClC1=CC=CC=C1C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020222656	1	36	-1.0	-48.82	314.35	-0.38	-49.20
CCC1=CC=C(CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222657	0	47	-1.0	-47.56	373.95	5.22	-42.34
CCC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222657	1	48	0.0	-48.61	376.93	7.68	-40.93
CCC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222657	1	48	0.0	-48.19	376.78	7.68	-40.51
CCC1=CC=C(CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222657	1	47	-1.0	-47.59	374.03	5.23	-42.36
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL300020222658	0	40	-1.0	-45.17	338.26	1.29	-43.88
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL300020222658	1	40	-1.0	-45.20	338.33	1.30	-43.90
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(CN2CCOCC2)C=C1	REAL300020222659	0	51	-1.0	-48.78	396.11	0.68	-48.10
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(CN2CCOCC2)C=C1	REAL300020222659	1	51	-1.0	-48.78	396.19	0.68	-48.10
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC=C1CN1CCOCC1	REAL300020222660	0	54	-1.0	-44.99	414.89	1.47	-43.52
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC=C1CN1CCOCC1	REAL300020222660	1	54	-1.0	-44.97	414.96	1.48	-43.49
CN(C)C(=O)C(C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222661	0	42	0.0	-46.52	324.29	5.46	-41.06
CN(C)C(=O)C(C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222661	1	42	0.0	-42.19	325.43	5.57	-36.62
CC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222662	0	41	-1.0	-45.49	335.17	2.40	-43.09
CC1=CC=C(CNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222662	1	42	0.0	-45.74	338.61	4.83	-40.91
CC1=CC=C(CNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222662	1	42	0.0	-45.79	338.98	4.83	-40.96
CC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222662	1	41	-1.0	-45.49	335.24	2.41	-43.08
C1=CSC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)=C1	REAL300020222663	0	34	-1.0	-45.33	303.90	0.61	-44.72
C1=CSC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222663	1	34	-1.0	-45.35	303.97	0.62	-44.73
C1=CSC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222663	1	35	0.0	-45.50	307.23	2.97	-42.53
C1=CSC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020222663	1	35	0.0	-47.33	306.57	3.08	-44.25
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020222664	0	52	0.0	-50.07	403.52	6.74	-43.33
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020222664	1	52	0.0	-49.67	403.69	6.75	-42.92
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020222664	1	51	-1.0	-49.69	400.70	4.45	-45.24
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020222664	1	51	-1.0	-49.65	400.78	4.46	-45.19
CC(CNC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222665	0	48	0.0	-47.78	370.84	6.04	-41.74
CC(CNC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222665	1	48	0.0	-43.89	371.28	6.01	-37.88
CC(CNC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222665	1	47	-1.0	-40.87	368.84	3.70	-37.17
CC(CNC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222665	1	47	-1.0	-40.88	368.91	3.71	-37.17
CSC1=CC=CC=C1NC(=O)CN(C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222666	0	49	-1.0	-53.96	402.40	3.37	-50.59
CSC1=CC=CC=C1NC(=O)CN(C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222666	1	49	-1.0	-53.92	402.47	3.39	-50.53
CSC1=CC=CC=C1NC(=O)CN(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222666	1	50	0.0	-50.82	407.82	6.08	-44.74
CSC1=CC=CC=C1NC(=O)CN(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222666	1	50	0.0	-50.52	407.76	6.00	-44.52
CCN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222667	0	41	-1.0	-48.32	330.16	4.15	-44.17
CCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222667	1	42	0.0	-50.94	332.30	6.58	-44.36
CCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222667	1	42	0.0	-47.05	332.95	6.63	-40.42
CCN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222667	1	41	-1.0	-48.34	330.23	4.16	-44.18
CC(C)(C)N(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222668	0	51	0.0	-42.69	370.52	7.42	-35.27
CC(C)(C)N(CC1=CC=CC=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222668	1	51	0.0	-42.18	371.15	7.54	-34.64
CC(C)(C)N(CC1=CC=CC=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222668	1	50	-1.0	-46.84	365.71	4.83	-42.01
CC(C)(C)N(CC1=CC=CC=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222668	1	50	-1.0	-46.86	365.78	4.85	-42.01
CN(CCCNC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222669	0	49	-1.0	-45.63	385.24	2.97	-42.66
CN(CCCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222669	1	50	0.0	-47.86	390.64	5.61	-42.25
CN(CCCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222669	1	50	0.0	-47.63	391.08	5.60	-42.03
CN(CCCNC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222669	1	49	-1.0	-45.66	385.30	2.98	-42.68
CC(C)C1=CC=C(C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(C)C)C=C1	REAL300020222670	0	56	-1.0	-39.46	425.02	5.90	-33.56
CC(C)C1=CC=C(C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(C)C)C=C1	REAL300020222670	1	56	-1.0	-39.47	425.10	5.92	-33.55
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020222671	0	50	-1.0	-45.31	402.17	3.67	-41.64
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020222671	1	51	0.0	-46.68	404.93	6.02	-40.66
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020222671	1	51	0.0	-46.68	405.08	6.07	-40.61
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020222671	1	50	-1.0	-45.33	402.24	3.67	-41.66
CCC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222672	0	44	-1.0	-46.75	346.92	3.74	-43.01
CCC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222672	1	45	0.0	-54.57	351.17	5.93	-48.64
CCC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222672	1	45	0.0	-46.20	349.20	5.98	-40.22
CCC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222672	1	44	-1.0	-46.76	347.00	3.75	-43.01
CC(C)N(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222673	0	44	-1.0	-47.71	346.14	4.52	-43.19
CC(C)N(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222673	1	45	0.0	-50.93	350.11	7.01	-43.92
CC(C)N(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222673	1	45	0.0	-47.68	336.00	6.53	-41.15
CC(C)N(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222673	1	44	-1.0	-47.71	346.21	4.53	-43.18
CN(CC1=CC=CC=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222674	0	41	-1.0	-46.77	329.25	3.59	-43.18
CN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222674	1	42	0.0	-46.29	334.27	6.28	-40.01
CN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222674	1	42	0.0	-48.44	333.89	6.24	-42.20
CN(CC1=CC=CC=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222674	1	41	-1.0	-46.79	329.31	3.61	-43.18
C1=CSC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020222675	0	33	-1.0	-46.50	292.20	0.81	-45.69
C1=CSC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020222675	1	33	-1.0	-46.47	292.27	0.83	-45.64
FC1=CC=C(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020222676	0	36	-1.0	-39.65	313.81	2.01	-37.64
FC1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020222676	1	36	-1.0	-39.63	313.89	2.02	-37.61
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020222677	0	47	0.0	-55.29	367.52	4.26	-51.03
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020222677	1	47	0.0	-54.94	367.63	4.28	-50.66
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020222677	1	46	-1.0	-48.85	364.37	1.84	-47.01
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020222677	1	46	-1.0	-48.84	364.44	1.85	-46.99
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC(CC)=C1	REAL300020222678	0	47	-1.0	-39.86	396.45	4.15	-35.71
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC(CC)=C1	REAL300020222678	1	47	-1.0	-39.86	396.52	4.16	-35.70
CN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020222679	0	51	-1.0	-46.09	395.20	6.84	-39.25
CN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020222679	1	52	0.0	-46.22	400.41	9.36	-36.86
CN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020222679	1	52	0.0	-45.96	400.34	9.36	-36.60
CN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020222679	1	51	-1.0	-46.06	395.26	6.86	-39.20
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1(N2CCOCC2)CCCCC1	REAL300020222680	0	57	-1.0	-44.28	401.76	-0.25	-44.53
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1([NH+]2CCOCC2)CCCCC1	REAL300020222680	1	58	0.0	-69.49	402.00	1.93	-67.56
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1(N2CCOCC2)CCCCC1	REAL300020222680	1	57	-1.0	-44.26	401.83	-0.24	-44.50
CC[NH+]1CCC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222681	0	47	0.0	-67.28	350.86	1.76	-65.52
CC[NH+]1CCC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222681	1	47	0.0	-67.32	350.93	1.77	-65.55
CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222681	1	48	1.0	-86.16	355.86	4.35	-81.81
CC[NH+]1CCC(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222681	1	48	1.0	-89.87	355.05	4.32	-85.55
C1=CSC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)=C1	REAL300020222682	0	34	-1.0	-41.26	305.30	2.68	-38.58
C1=CSC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222682	1	34	-1.0	-41.27	305.37	2.70	-38.57
C1=CSC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222682	1	35	0.0	-44.63	315.41	5.49	-39.14
C1=CSC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020222682	1	35	0.0	-46.14	313.85	5.75	-40.39
COC1=CC=CC=C1C(C)NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222683	0	45	-1.0	-47.75	356.83	1.76	-45.99
COC1=CC=CC=C1C(C)NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222683	1	45	-1.0	-47.78	356.89	1.77	-46.01
COC1=CC=C(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1OC	REAL300020222684	0	44	-1.0	-43.08	366.08	1.16	-41.92
COC1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1OC	REAL300020222684	1	44	-1.0	-43.07	366.15	1.16	-41.91
CC(C1=CC=CC=C1)N(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222685	0	45	0.0	-51.19	344.75	6.66	-44.53
CC(C1=CC=CC=C1)N(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222685	1	45	0.0	-49.67	346.18	7.15	-42.52
CC(C1=CC=CC=C1)N(C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222685	1	44	-1.0	-45.91	338.86	3.77	-42.14
CC(C1=CC=CC=C1)N(C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222685	1	44	-1.0	-45.89	338.92	3.79	-42.10
ClC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020222686	0	36	0.0	-51.14	318.53	6.57	-44.57
ClC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020222686	1	36	0.0	-53.31	320.09	6.36	-46.95
ClC1=CC=C(OCCN2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020222686	1	35	-1.0	-38.21	317.63	3.82	-34.39
CC1=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1C(C)C	REAL300020222687	0	48	0.0	-47.48	363.21	7.97	-39.51
CC1=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1C(C)C	REAL300020222687	1	48	0.0	-48.77	364.97	7.74	-41.03
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCCN1CCCC1=O	REAL300020222688	0	45	-1.0	-51.21	359.71	0.36	-50.85
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCN1CCCC1=O	REAL300020222688	1	46	0.0	-53.28	364.86	3.00	-50.28
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCN1CCCC1=O	REAL300020222688	1	46	0.0	-53.01	365.31	2.99	-50.02
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCCN1CCCC1=O	REAL300020222688	1	45	-1.0	-51.23	359.77	0.38	-50.85
COC1=CC=C(CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222689	0	45	-1.0	-47.93	360.55	3.08	-44.85
COC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222689	1	46	0.0	-50.23	363.53	5.54	-44.69
COC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222689	1	46	0.0	-50.03	363.38	5.54	-44.49
COC1=CC=C(CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222689	1	45	-1.0	-47.92	360.63	3.09	-44.83
CC(C(=O)N1CCC2=CC=CC=C2C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222690	0	46	0.0	-55.14	349.60	6.69	-48.45
CC(C(=O)N1CCC2=CC=CC=C2C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222690	1	46	0.0	-43.08	349.66	6.72	-36.36
CC(C(=O)N1CCC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222690	1	45	-1.0	-40.83	348.44	4.50	-36.33
CC(C(=O)N1CCC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222690	1	45	-1.0	-40.83	348.51	4.51	-36.32
CC(C(=O)N1CCN(C(=O)C2=CC=CO2)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222691	0	50	0.0	-49.76	384.14	4.50	-45.26
CC(C(=O)N1CCN(C(=O)C2=CC=CO2)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222691	1	50	0.0	-64.05	381.44	4.40	-59.65
CC(C(=O)N1CCN(C(=O)C2=CC=CO2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222691	1	49	-1.0	-50.19	375.34	1.86	-48.33
CC(C(=O)N1CCN(C(=O)C2=CC=CO2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222691	1	49	-1.0	-50.17	375.41	1.88	-48.29
O=S(=O)(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)OC1=CC=CC=C1	REAL300020222692	0	39	0.0	-62.51	325.96	3.61	-58.90
O=S(=O)(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)OC1=CC=CC=C1	REAL300020222692	1	39	0.0	-61.06	325.38	3.64	-57.42
O=S(=O)(CCN1CCC(C2=N[N-]N=N2)C1)OC1=CC=CC=C1	REAL300020222692	1	38	-1.0	-46.85	321.37	0.96	-45.89
O=S(=O)(CCN1CCC(C2=NN=N[N-]2)C1)OC1=CC=CC=C1	REAL300020222692	1	38	-1.0	-46.82	321.44	0.98	-45.84
BrC1=CC=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222693	0	32	0.0	-39.47	275.84	6.20	-33.27
BrC1=CC=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222693	1	32	0.0	-45.01	275.35	6.17	-38.84
CC(C(=O)NC1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222694	0	44	-1.0	-48.53	348.28	1.36	-47.17
CC(C(=O)NC1=CC=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222694	1	44	-1.0	-48.49	348.35	1.37	-47.12
CC(C(=O)NC1=CC=C2OCCOC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222694	1	45	0.0	-53.75	352.17	3.71	-50.04
CC(C(=O)NC1=CC=C2OCCOC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222694	1	45	0.0	-59.05	352.06	3.69	-55.36
CC(C(=O)N1C2=CC=CC=C2CC1C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222695	0	46	0.0	-39.95	342.76	6.91	-33.04
CC(C(=O)N1C2=CC=CC=C2CC1C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222695	1	46	0.0	-56.84	343.21	6.98	-49.86
CC(C(=O)N1C2=CC=CC=C2CC1C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222695	1	45	-1.0	-49.34	343.71	4.69	-44.65
CC(C(=O)N1C2=CC=CC=C2CC1C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222695	1	45	-1.0	-49.29	343.78	4.70	-44.59
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2)=N1	REAL300020222696	0	38	0.0	-48.64	323.64	6.58	-42.06
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2)=N1	REAL300020222696	1	38	0.0	-47.85	323.75	6.63	-41.22
CC(C)C1=CC=C(C2=NC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020222697	0	47	0.0	-46.21	384.03	8.52	-37.69
CC(C)C1=CC=C(C2=NC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020222697	1	47	0.0	-47.38	383.98	8.57	-38.81
CC(C(=O)NCC(=O)NC1=CC=C(F)C(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020222698	0	45	-1.0	-41.87	383.16	0.95	-40.92
CC(C(=O)NCC(=O)NC1=CC=C(F)C(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020222698	1	45	-1.0	-41.83	383.23	0.97	-40.86
CC(C(=O)NCC(=O)NC1=CC=C(F)C(F)=C1F)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222698	1	46	0.0	-55.89	385.33	3.28	-52.61
CC(C(=O)NCC(=O)NC1=CC=C(F)C(F)=C1F)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222698	1	46	0.0	-53.97	384.28	3.31	-50.66
COC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1OC	REAL300020222699	0	46	0.0	-47.40	382.60	5.59	-41.81
COC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1OC	REAL300020222699	1	46	0.0	-49.78	380.89	5.94	-43.84
COC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1OC	REAL300020222699	1	45	-1.0	-41.25	379.85	3.04	-38.21
COC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1OC	REAL300020222699	1	45	-1.0	-41.28	379.92	3.05	-38.23
CC(C)N1N=CC=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222700	0	44	-1.0	-47.49	347.04	2.43	-45.06
CC(C)N1N=CC=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222700	1	44	-1.0	-47.51	347.11	2.44	-45.07
CCOC(=O)C1CCN(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222701	0	51	0.0	-53.72	388.67	6.17	-47.55
CCOC(=O)C1CCN(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222701	1	51	0.0	-46.81	387.93	6.13	-40.68
CCOC(=O)C1CCN(C(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222701	1	50	-1.0	-50.36	385.45	3.77	-46.59
CCOC(=O)C1CCN(C(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222701	1	50	-1.0	-50.33	385.52	3.79	-46.54
CC1=CC=CC(C(C)C)=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222702	0	50	-1.0	-45.25	379.24	5.00	-40.25
CC1=CC=CC(C(C)C)=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222702	1	51	0.0	-47.29	382.29	7.42	-39.87
CC1=CC=CC(C(C)C)=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222702	1	51	0.0	-46.32	388.28	7.73	-38.59
CC1=CC=CC(C(C)C)=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222702	1	50	-1.0	-45.23	379.31	5.02	-40.21
CC1=NN(C)C(C)=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222703	0	44	-1.0	-54.91	347.43	1.05	-53.86
CC1=NN(C)C(C)=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222703	1	44	-1.0	-54.87	347.50	1.06	-53.81
CC(C(=O)NC1CCS(=O)(=O)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222704	0	41	-1.0	-53.65	334.16	-2.58	-56.23
CC(C(=O)NC1CCS(=O)(=O)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222704	1	41	-1.0	-53.64	334.23	-2.57	-56.21
CC(C(=O)NCCC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222705	0	45	0.0	-56.17	355.44	5.44	-50.73
CC(C(=O)NCCC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222705	1	45	0.0	-52.01	354.38	5.48	-46.53
CC(C(=O)NCCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222705	1	44	-1.0	-41.27	353.24	3.13	-38.14
CC(C(=O)NCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222705	1	44	-1.0	-41.28	353.32	3.14	-38.14
CC(C(=O)NC1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020222706	0	41	-1.0	-43.16	339.02	3.42	-39.74
CC(C(=O)NC1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020222706	1	41	-1.0	-43.12	339.08	3.43	-39.69
CC(C(=O)NC1=CC=CC=C1C(F)(F)F)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222706	1	42	0.0	-45.20	341.73	5.81	-39.39
CC(C(=O)NC1=CC=CC=C1C(F)(F)F)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222706	1	42	0.0	-51.82	341.96	5.76	-46.06
CC(C)C1=CC=CC=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222707	0	47	-1.0	-45.83	362.37	4.27	-41.56
CC(C)C1=CC=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222707	1	48	0.0	-49.17	365.32	6.68	-42.49
CC(C)C1=CC=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222707	1	48	0.0	-45.94	363.32	6.68	-39.26
CC(C)C1=CC=CC=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222707	1	47	-1.0	-45.86	362.44	4.29	-41.57
CC(C(=O)NCC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020222708	0	41	-1.0	-52.42	346.01	2.78	-49.64
CC(C(=O)NCC1=CC=CC=C1Cl)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222708	1	42	0.0	-52.47	348.38	5.07	-47.40
CC(C(=O)NCC1=CC=CC=C1Cl)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222708	1	42	0.0	-48.17	347.27	5.11	-43.06
CC(C(=O)NCC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020222708	1	41	-1.0	-52.39	346.08	2.80	-49.59
CC(C(=O)NC1=CC=C(Cl)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020222709	0	41	-1.0	-39.61	355.36	4.00	-35.61
CC(C(=O)NC1=CC=C(Cl)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020222709	1	41	-1.0	-39.60	355.43	4.02	-35.58
COC1=CC=CC=C1CNC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222710	0	45	-1.0	-53.81	360.06	1.67	-52.14
COC1=CC=CC=C1CNC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222710	1	46	0.0	-45.69	362.20	4.02	-41.67
COC1=CC=CC=C1CNC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222710	1	46	0.0	-42.44	362.63	4.00	-38.44
COC1=CC=CC=C1CNC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222710	1	45	-1.0	-53.78	360.12	1.69	-52.09
CC(C(=O)NC1=CC=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020222711	0	42	-1.0	-46.71	342.83	1.86	-44.85
CC(C(=O)NC1=CC=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020222711	1	42	-1.0	-46.74	342.89	1.87	-44.87
CC1=CC=C(CNC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222712	0	45	0.0	-47.36	355.24	5.37	-41.99
CC1=CC=C(CNC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222712	1	45	0.0	-49.40	354.30	5.38	-44.02
CC1=CC=C(CNC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222712	1	44	-1.0	-45.58	351.84	3.09	-42.49
CC1=CC=C(CNC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222712	1	44	-1.0	-45.58	351.91	3.11	-42.47
CC(C(=O)NCC1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222713	0	38	-1.0	-51.09	321.83	1.43	-49.66
CC(C(=O)NCC1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222713	1	38	-1.0	-51.15	321.90	1.45	-49.70
CC(C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222714	0	39	-1.0	-44.16	326.57	2.39	-41.77
CC(C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222714	1	39	-1.0	-44.18	326.64	2.40	-41.78
COC1=CC=C(OC)C(C2CCCN2C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222715	0	53	-1.0	-48.73	411.70	3.92	-44.81
COC1=CC=C(OC)C(C2CCCN2C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222715	1	54	0.0	-51.58	414.47	6.27	-45.31
COC1=CC=C(OC)C(C2CCCN2C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222715	1	54	0.0	-46.85	415.29	6.28	-40.57
COC1=CC=C(OC)C(C2CCCN2C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222715	1	53	-1.0	-48.75	411.77	3.93	-44.82
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)NCC1=CC=CO1	REAL300020222716	0	49	-1.0	-49.16	402.06	2.32	-46.84
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)NCC1=CC=CO1	REAL300020222716	1	49	-1.0	-49.19	402.14	2.33	-46.86
COC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222717	0	51	-1.0	-54.53	416.48	3.79	-50.74
COC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222717	1	51	-1.0	-54.53	416.56	3.80	-50.73
O=C1C2=CC=CC=C2C(=O)N1CCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222718	0	45	0.0	-51.11	367.80	6.73	-44.38
O=C1C2=CC=CC=C2C(=O)N1CCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222718	1	45	0.0	-53.44	368.52	6.86	-46.58
O=C1C2=CC=CC=C2C(=O)N1CCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222718	1	45	0.0	-51.12	367.73	6.72	-44.40
O=C1C2=CC=CC=C2C(=O)N1CCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222718	1	45	0.0	-53.40	368.45	6.86	-46.54
C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222719	0	49	0.0	-47.65	336.99	8.07	-39.58
C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222719	1	49	0.0	-46.19	337.15	8.04	-38.15
C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222719	1	49	0.0	-47.62	336.92	8.07	-39.55
C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222719	1	49	0.0	-46.16	337.08	8.04	-38.12
COC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222720	0	42	0.0	-44.44	353.39	5.69	-38.75
COC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222720	1	42	0.0	-46.77	353.51	5.88	-40.89
COC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222720	1	41	-1.0	-39.74	350.68	3.14	-36.60
COC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222720	1	41	-1.0	-39.75	350.75	3.15	-36.60
COC1=CC=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)=C1OC	REAL300020222721	0	45	-1.0	-45.25	376.20	3.34	-41.91
COC1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1OC	REAL300020222721	1	46	0.0	-45.67	379.39	5.69	-39.98
COC1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1OC	REAL300020222721	1	46	0.0	-47.58	377.67	6.04	-41.54
COC1=CC=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)=C1OC	REAL300020222721	1	45	-1.0	-45.25	376.27	3.35	-41.90
CC(C)CN(CC(C)C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222722	0	49	-1.0	-43.82	362.44	4.08	-39.74
CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222722	1	50	0.0	-46.99	366.21	6.66	-40.33
CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222722	1	50	0.0	-43.31	366.43	6.70	-36.61
CC(C)CN(CC(C)C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222722	1	49	-1.0	-43.82	362.50	4.10	-39.72
CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222723	0	47	0.0	-53.73	364.86	3.96	-49.77
CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222723	1	47	0.0	-53.46	364.99	4.00	-49.46
CCOC(=O)N1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222723	1	46	-1.0	-46.84	362.05	1.64	-45.20
CCOC(=O)N1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222723	1	46	-1.0	-46.89	362.12	1.64	-45.25
C1=CC=C(C2=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N3C=CC=CC3=N2)C=C1	REAL300020222724	0	45	0.0	-51.41	353.34	9.26	-42.15
C1=CC=C(C2=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N3C=CC=CC3=N2)C=C1	REAL300020222724	1	45	0.0	-49.19	358.72	9.29	-39.90
CC(C(=O)NCCC1=CC=CS1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222725	0	42	0.0	-56.09	345.67	4.53	-51.56
CC(C(=O)NCCC1=CC=CS1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222725	1	42	0.0	-51.54	344.59	4.57	-46.97
CC(C(=O)NCCC1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222725	1	41	-1.0	-47.03	342.17	2.28	-44.75
CC(C(=O)NCCC1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222725	1	41	-1.0	-47.03	342.24	2.29	-44.74
CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C2CCCCC2=C1	REAL300020222726	0	51	-1.0	-44.98	392.26	4.85	-40.13
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCCC2=C1	REAL300020222726	1	52	0.0	-49.69	396.97	7.51	-42.18
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCCC2=C1	REAL300020222726	1	52	0.0	-47.01	397.64	7.57	-39.44
CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCCC2=C1	REAL300020222726	1	51	-1.0	-45.00	392.33	4.87	-40.13
COC1=CC(Br)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222727	0	40	0.0	-48.90	333.90	5.43	-43.47
COC1=CC(Br)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222727	1	40	0.0	-44.70	333.83	5.43	-39.27
COC1=CC(Br)=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020222727	1	39	-1.0	-42.80	319.18	1.97	-40.83
COC1=CC(Br)=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222727	1	39	-1.0	-42.82	319.25	1.99	-40.83
C=CCSC1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222728	0	43	-1.0	-46.04	360.13	4.16	-41.88
C=CCSC1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222728	1	43	-1.0	-46.04	360.20	4.16	-41.88
ClC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCCCO2	REAL300020222729	0	41	0.0	-53.25	336.98	6.05	-47.20
ClC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCCCO2	REAL300020222729	1	41	0.0	-52.91	336.51	6.03	-46.88
ClC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC2=C1OCCCO2	REAL300020222729	1	40	-1.0	-41.83	334.35	3.60	-38.23
ClC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCCCO2	REAL300020222729	1	40	-1.0	-41.76	334.41	3.60	-38.16
CCN(CC1=CC=C2OCCOC2=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222730	0	50	-1.0	-48.26	393.70	3.66	-44.60
CCN(CC1=CC=C2OCCOC2=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222730	1	51	0.0	-51.77	398.42	6.32	-45.45
CCN(CC1=CC=C2OCCOC2=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222730	1	51	0.0	-48.49	399.03	6.37	-42.12
CCN(CC1=CC=C2OCCOC2=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222730	1	50	-1.0	-48.26	393.77	3.68	-44.58
CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222731	0	54	-1.0	-48.19	417.41	4.45	-43.74
CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222731	1	54	-1.0	-48.19	417.48	4.46	-43.73
CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222731	1	55	0.0	-58.86	419.74	6.71	-52.15
CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222731	1	55	0.0	-58.61	419.25	6.69	-51.92
COC(=O)C1CC2=CC=CC=C2CN1C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222732	0	48	-1.0	-48.61	380.10	5.72	-42.89
COC(=O)C1CC2=CC=CC=C2CN1C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222732	1	48	-1.0	-48.61	380.17	5.74	-42.87
COC(=O)C1CC2=CC=CC=C2CN1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222732	1	49	0.0	-52.00	381.85	7.98	-44.02
COC(=O)C1CC2=CC=CC=C2CN1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222732	1	49	0.0	-56.01	382.27	7.97	-48.04
CC(C)C1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222733	0	44	-1.0	-40.41	349.89	3.67	-36.74
CC(C)C1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222733	1	44	-1.0	-40.42	349.96	3.68	-36.74
CC(C)C(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222734	0	47	-1.0	-43.94	360.53	3.43	-40.51
CC(C)C(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222734	1	47	-1.0	-43.96	360.60	3.45	-40.51
COCC(C)NC(=O)NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222735	0	42	-1.0	-53.30	340.25	-1.38	-54.68
COCC(C)NC(=O)NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222735	1	42	-1.0	-53.32	340.32	-1.36	-54.68
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OCCOC2=C1	REAL300020222736	0	41	-1.0	-48.43	330.50	0.62	-47.81
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OCCOC2=C1	REAL300020222736	1	41	-1.0	-48.40	330.57	0.63	-47.77
CC(=O)NC1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222737	0	42	-1.0	-47.61	346.12	0.65	-46.96
CC(=O)NC1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222737	1	42	-1.0	-47.64	346.19	0.66	-46.98
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OCCCOC2=C1	REAL300020222738	0	44	-1.0	-45.81	352.81	1.68	-44.13
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OCCCOC2=C1	REAL300020222738	1	44	-1.0	-45.81	352.88	1.70	-44.11
CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020222739	0	41	-1.0	-44.16	361.51	3.34	-40.82
CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020222739	1	41	-1.0	-44.20	361.57	3.36	-40.84
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020222740	0	54	-1.0	-47.05	423.56	6.14	-40.91
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020222740	1	55	0.0	-52.42	428.36	8.81	-43.61
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020222740	1	55	0.0	-48.14	429.16	8.79	-39.35
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020222740	1	54	-1.0	-47.10	423.63	6.16	-40.94
CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020222741	0	47	-1.0	-45.93	375.57	4.63	-41.30
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020222741	1	48	0.0	-51.70	380.26	7.29	-44.41
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020222741	1	48	0.0	-48.73	380.91	7.34	-41.39
CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020222741	1	47	-1.0	-45.89	375.63	4.65	-41.24
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C2C1	REAL300020222742	0	43	0.0	-47.15	333.59	6.38	-40.77
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C2C1	REAL300020222742	1	43	0.0	-46.38	333.37	6.38	-40.00
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C2C1	REAL300020222742	1	42	-1.0	-43.83	330.96	4.11	-39.72
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C2C1	REAL300020222742	1	42	-1.0	-43.90	331.04	4.11	-39.79
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(C1CCCCC1)C1CCCCC1	REAL300020222743	0	58	0.0	-41.55	401.55	8.67	-32.88
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(C1CCCCC1)C1CCCCC1	REAL300020222743	1	58	0.0	-47.21	409.90	8.93	-38.28
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(C1CCCCC1)C1CCCCC1	REAL300020222743	1	57	-1.0	-43.45	405.43	6.32	-37.13
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(C1CCCCC1)C1CCCCC1	REAL300020222743	1	57	-1.0	-43.42	405.49	6.33	-37.09
CCC1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222744	0	41	-1.0	-46.83	326.31	3.25	-43.58
CCC1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222744	1	41	-1.0	-46.82	326.38	3.26	-43.56
CN(CC1=CC=CC=C1Br)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222745	0	41	-1.0	-46.48	337.27	3.70	-42.78
CN(CC1=CC=CC=C1Br)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222745	1	42	0.0	-44.51	346.91	6.51	-38.00
CN(CC1=CC=CC=C1Br)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222745	1	42	0.0	-47.77	346.41	6.47	-41.30
CN(CC1=CC=CC=C1Br)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222745	1	41	-1.0	-46.53	337.34	3.70	-42.83
CC1=CC=C(CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222746	0	44	-1.0	-47.72	352.47	4.45	-43.27
CC1=CC=C(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222746	1	45	0.0	-46.00	356.04	6.97	-39.03
CC1=CC=C(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222746	1	45	0.0	-48.34	355.30	6.91	-41.43
CC1=CC=C(CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222746	1	44	-1.0	-47.76	352.54	4.47	-43.29
CCCCOC(=O)C1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222747	0	50	-1.0	-47.89	406.82	4.73	-43.16
CCCCOC(=O)C1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222747	1	50	-1.0	-47.91	406.89	4.74	-43.17
CC1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2S1	REAL300020222748	0	46	-1.0	-48.87	370.15	5.75	-43.12
CC1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2S1	REAL300020222748	1	46	-1.0	-48.86	370.22	5.76	-43.10
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1CCCCCCC1	REAL300020222749	0	47	-1.0	-40.43	339.27	2.17	-38.26
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1CCCCCCC1	REAL300020222749	1	47	-1.0	-40.49	339.34	2.18	-38.31
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCCCCCC1	REAL300020222749	1	48	0.0	-49.40	340.94	4.69	-44.71
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCCCCCC1	REAL300020222749	1	48	0.0	-44.91	342.20	4.65	-40.26
NC(=O)C1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222750	0	43	0.0	-55.19	330.81	0.98	-54.21
NC(=O)C1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222750	1	43	0.0	-58.62	330.16	0.94	-57.68
NC(=O)C1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222750	1	42	-1.0	-51.69	327.94	-1.38	-53.07
NC(=O)C1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222750	1	42	-1.0	-51.72	328.01	-1.37	-53.09
CSC1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222751	0	39	-1.0	-40.85	329.88	2.78	-38.07
CSC1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222751	1	39	-1.0	-40.83	329.96	2.80	-38.03
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1N=C(C2=CC=CO2)CC1C1=CC=CO1	REAL300020222752	0	46	-1.0	-49.25	386.58	3.28	-45.97
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1N=C(C2=CC=CO2)CC1C1=CC=CO1	REAL300020222752	1	46	-1.0	-49.29	386.65	3.29	-46.00
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(=O)NC1CCS(=O)(=O)C1	REAL300020222753	0	42	-1.0	-61.29	351.30	-3.32	-64.61
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(=O)NC1CCS(=O)(=O)C1	REAL300020222753	1	42	-1.0	-61.32	351.36	-3.30	-64.62
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C2OCCCOC2=C1	REAL300020222754	0	55	0.0	-50.80	421.86	7.54	-43.26
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C2OCCCOC2=C1	REAL300020222754	1	55	0.0	-50.52	422.02	7.55	-42.97
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCCC1C1=CC=C2OCCCOC2=C1	REAL300020222754	1	54	-1.0	-50.70	419.03	5.24	-45.46
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C2OCCCOC2=C1	REAL300020222754	1	54	-1.0	-50.70	419.10	5.25	-45.45
CCC1C2=C(CCN1C(=O)CN1CCC(C3=N[N-]N=N3)C1)SC=C2	REAL300020222755	0	45	-1.0	-42.13	348.65	4.27	-37.86
CCC1C2=C(CCN1C(=O)C[N@@H+]1CCC(C3=NN=N[N-]3)C1)SC=C2	REAL300020222755	1	46	0.0	-50.93	350.82	6.57	-44.36
CCC1C2=C(CCN1C(=O)C[N@H+]1CCC(C3=NN=N[N-]3)C1)SC=C2	REAL300020222755	1	46	0.0	-50.80	362.27	7.15	-43.65
CCC1C2=C(CCN1C(=O)CN1CCC(C3=NN=N[N-]3)C1)SC=C2	REAL300020222755	1	45	-1.0	-42.10	348.72	4.29	-37.81
COC1=CC=C2C(=C1)CCCN2C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222756	0	46	-1.0	-47.48	352.89	3.37	-44.11
COC1=CC=C2C(=C1)CCCN2C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222756	1	46	-1.0	-47.48	352.95	3.39	-44.09
COC1=CC=C2C(=C1)CCCN2C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222756	1	47	0.0	-49.70	357.63	6.01	-43.69
COC1=CC=C2C(=C1)CCCN2C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222756	1	47	0.0	-49.89	358.26	6.01	-43.88
CC(C(=O)NC1=CC=C(OC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222757	0	42	-1.0	-48.26	343.30	1.87	-46.39
CC(C(=O)NC1=CC=C(OC(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222757	1	43	0.0	-57.87	347.55	4.06	-53.81
CC(C(=O)NC1=CC=C(OC(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222757	1	43	0.0	-49.66	345.57	4.11	-45.55
CC(C(=O)NC1=CC=C(OC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222757	1	42	-1.0	-48.29	343.37	1.88	-46.41
O=C(NC1=CC=CC=C1)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222758	0	46	0.0	-57.07	367.98	7.53	-49.54
O=C(NC1=CC=CC=C1)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222758	1	46	0.0	-58.45	369.46	7.55	-50.90
CCOC(=O)C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=C(F)C=CC=C2S1	REAL300020222759	0	44	0.0	-37.04	364.77	8.33	-28.71
CCOC(=O)C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=C(F)C=CC=C2S1	REAL300020222759	1	44	0.0	-39.96	363.52	8.36	-31.60
CCOC(=O)C1=C(CN2CCC(C3=N[N-]N=N3)C2)C2=C(F)C=CC=C2S1	REAL300020222759	1	43	-1.0	-44.34	348.55	5.03	-39.31
CCOC(=O)C1=C(CN2CCC(C3=NN=N[N-]3)C2)C2=C(F)C=CC=C2S1	REAL300020222759	1	43	-1.0	-44.29	348.62	5.05	-39.24
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC=C1F	REAL300020222760	0	38	-1.0	-45.91	319.34	1.72	-44.19
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC=C1F	REAL300020222760	1	38	-1.0	-45.90	319.42	1.72	-44.18
CCC1=CC=CC=C1NC(=O)CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222761	0	48	-1.0	-46.40	382.96	1.53	-44.87
CCC1=CC=CC=C1NC(=O)CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222761	1	48	-1.0	-46.42	383.03	1.55	-44.87
CC(C)C1=CC=C(CCNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222762	0	50	-1.0	-45.94	393.78	4.22	-41.72
CC(C)C1=CC=C(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222762	1	51	0.0	-47.48	398.94	6.85	-40.63
CC(C)C1=CC=C(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222762	1	51	0.0	-47.30	399.37	6.85	-40.45
CC(C)C1=CC=C(CCNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222762	1	50	-1.0	-45.94	393.85	4.23	-41.71
COC1=CC=CC=C1CCNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222763	0	45	-1.0	-48.54	363.59	1.85	-46.69
COC1=CC=CC=C1CCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222763	1	46	0.0	-48.10	367.03	4.28	-43.82
COC1=CC=CC=C1CCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222763	1	46	0.0	-48.56	367.21	4.36	-44.20
COC1=CC=CC=C1CCNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222763	1	45	-1.0	-48.50	363.67	1.86	-46.64
CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020222764	0	47	-1.0	-46.78	371.20	4.53	-42.25
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020222764	1	48	0.0	-52.12	375.91	7.19	-44.93
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020222764	1	48	0.0	-48.47	376.77	7.17	-41.30
CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020222764	1	47	-1.0	-46.77	371.26	4.55	-42.22
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1=CC=C(OC(F)F)C=C1	REAL300020222765	0	45	-1.0	-49.48	372.81	1.87	-47.61
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(OC(F)F)C=C1	REAL300020222765	1	46	0.0	-56.02	377.62	4.52	-51.50
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(OC(F)F)C=C1	REAL300020222765	1	46	0.0	-51.45	378.40	4.50	-46.95
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(OC(F)F)C=C1	REAL300020222765	1	45	-1.0	-49.51	372.88	1.88	-47.63
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CS1)C1=CC=CC=C1	REAL300020222766	0	45	-1.0	-43.44	379.28	4.59	-38.85
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CS1)C1=CC=CC=C1	REAL300020222766	1	45	-1.0	-43.46	379.35	4.61	-38.85
CCOC1=CC=C(OCCNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222767	0	49	-1.0	-46.66	393.31	1.34	-45.32
CCOC1=CC=C(OCCNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222767	1	49	-1.0	-46.66	393.37	1.36	-45.30
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(CC1=CC=C(F)C=C1)C1CCCCC1	REAL300020222768	0	54	-1.0	-45.60	405.56	6.66	-38.94
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=C(F)C=C1)C1CCCCC1	REAL300020222768	1	55	0.0	-48.93	410.30	9.28	-39.65
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=C(F)C=C1)C1CCCCC1	REAL300020222768	1	55	0.0	-50.07	409.80	9.25	-40.82
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=C(F)C=C1)C1CCCCC1	REAL300020222768	1	54	-1.0	-45.58	405.63	6.67	-38.91
COC1=CC=C(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020222769	0	40	-1.0	-42.09	337.48	-1.43	-43.52
COC1=CC=C(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020222769	1	40	-1.0	-42.17	337.55	-1.43	-43.60
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020222770	0	41	-1.0	-43.43	349.43	2.21	-41.22
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020222770	1	41	-1.0	-43.47	349.49	2.23	-41.24
CC1=CC=CC=C1CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222771	0	41	-1.0	-44.84	330.80	2.49	-42.35
CC1=CC=CC=C1CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222771	1	41	-1.0	-44.86	330.88	2.49	-42.37
CC1=CC=CC=C1CNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222771	1	42	0.0	-49.19	334.10	4.65	-44.54
CC1=CC=CC=C1CNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222771	1	42	0.0	-48.69	333.84	4.95	-43.74
COC1=CC=C(CNC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222772	0	50	0.0	-50.07	392.50	3.87	-46.20
COC1=CC=C(CNC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222772	1	50	0.0	-47.35	392.90	3.85	-43.50
COC1=CC=C(CNC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020222772	1	49	-1.0	-47.55	389.66	1.48	-46.07
COC1=CC=C(CNC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222772	1	49	-1.0	-47.57	389.72	1.49	-46.08
CCOC(=O)CN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222773	0	47	-1.0	-51.76	381.09	5.04	-46.72
CCOC(=O)CN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222773	1	47	-1.0	-51.74	381.17	5.05	-46.69
CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL300020222774	0	38	-1.0	-43.72	321.15	1.44	-42.28
CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300020222774	1	38	-1.0	-43.73	321.21	1.45	-42.28
CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222775	0	48	0.0	-51.29	371.66	5.89	-45.40
CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222775	1	48	0.0	-56.26	370.92	5.82	-50.44
CCOC(=O)C1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222775	1	47	-1.0	-48.43	368.80	3.52	-44.91
CCOC(=O)C1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222775	1	47	-1.0	-48.40	368.88	3.53	-44.87
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCCC2=CC=CC=C21	REAL300020222776	0	42	-1.0	-46.97	323.37	4.09	-42.88
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC2=CC=CC=C21	REAL300020222776	1	43	0.0	-47.90	328.11	6.73	-41.17
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC2=CC=CC=C21	REAL300020222776	1	43	0.0	-52.84	327.01	6.60	-46.24
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCCC2=CC=CC=C21	REAL300020222776	1	42	-1.0	-46.98	323.43	4.11	-42.87
CC1CCCC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C1C	REAL300020222777	0	47	-1.0	-43.64	353.48	2.90	-40.74
CC1CCCC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C1C	REAL300020222777	1	47	-1.0	-43.64	353.55	2.91	-40.73
COC1=CC=C(CCNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020222778	0	49	-1.0	-51.05	394.02	1.69	-49.36
COC1=CC=C(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222778	1	50	0.0	-57.35	397.11	4.13	-53.22
COC1=CC=C(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222778	1	50	0.0	-53.73	397.63	4.20	-49.53
COC1=CC=C(CCNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222778	1	49	-1.0	-51.08	394.09	1.70	-49.38
CCC1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222779	0	41	-1.0	-40.62	332.58	3.20	-37.42
CCC1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222779	1	41	-1.0	-40.63	332.65	3.21	-37.42
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1=CC=C(F)C=C1	REAL300020222780	0	41	-1.0	-47.06	339.97	2.36	-44.70
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(F)C=C1	REAL300020222780	1	42	0.0	-54.44	344.77	5.01	-49.43
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(F)C=C1	REAL300020222780	1	42	0.0	-50.03	345.56	4.98	-45.05
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(F)C=C1	REAL300020222780	1	41	-1.0	-47.03	340.03	2.37	-44.66
C1=CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=CS1	REAL300020222781	0	33	-1.0	-39.00	298.15	0.63	-38.37
C1=CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=CS1	REAL300020222781	1	33	-1.0	-39.03	298.22	0.64	-38.39
CC(C)CCN(CCC(C)C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222782	0	55	-1.0	-44.12	411.34	5.60	-38.52
CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222782	1	56	0.0	-47.34	415.97	8.23	-39.11
CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222782	1	56	0.0	-44.36	416.71	8.30	-36.06
CC(C)CCN(CCC(C)C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222782	1	55	-1.0	-44.16	411.40	5.61	-38.55
CC(C)N(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222783	0	48	0.0	-47.47	361.83	7.35	-40.12
CC(C)N(CC1=CC=CC=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222783	1	48	0.0	-47.35	362.52	7.38	-39.97
CC(C)N(CC1=CC=CC=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222783	1	47	-1.0	-45.03	357.00	4.73	-40.30
CC(C)N(CC1=CC=CC=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222783	1	47	-1.0	-45.02	357.07	4.75	-40.27
COC1=CC=CC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222784	0	42	-1.0	-45.62	341.56	0.82	-44.80
COC1=CC=CC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222784	1	42	-1.0	-45.71	341.63	0.83	-44.88
CCCCN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1CCS(=O)(=O)C1	REAL300020222785	0	50	-1.0	-50.59	390.75	0.92	-49.67
CCCCN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222785	1	50	-1.0	-50.52	390.82	0.93	-49.59
CCN(C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222786	0	45	0.0	-43.00	333.44	6.38	-36.62
CCN(C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222786	1	45	0.0	-50.34	335.98	6.46	-43.88
CCN(C(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222786	1	44	-1.0	-46.52	334.30	4.15	-42.37
CCN(C(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222786	1	44	-1.0	-46.52	334.37	4.16	-42.36
C1=CSC(C2=CC(CN3CCC(C4=N[N-]N=N4)C3)=NO2)=C1	REAL300020222787	0	34	-1.0	-44.06	301.96	3.12	-40.94
C1=CSC(C2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)=C1	REAL300020222787	1	35	0.0	-45.04	306.65	5.90	-39.14
C1=CSC(C2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)=C1	REAL300020222787	1	35	0.0	-44.41	306.34	5.83	-38.58
C1=CSC(C2=CC(CN3CCC(C4=NN=N[N-]4)C3)=NO2)=C1	REAL300020222787	1	34	-1.0	-44.02	302.03	3.14	-40.88
CC(C(=O)N(C)C1CCS(=O)(=O)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222788	0	44	-1.0	-51.76	344.87	-1.10	-52.86
CC(C(=O)N(C)C1CCS(=O)(=O)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222788	1	44	-1.0	-51.76	344.95	-1.08	-52.84
CC(C(=O)N(C)C1CCS(=O)(=O)C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222788	1	45	0.0	-64.47	345.59	1.14	-63.33
CC(C(=O)N(C)C1CCS(=O)(=O)C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222788	1	45	0.0	-60.62	350.36	1.32	-59.30
CCN(C(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1CCS(=O)(=O)C1	REAL300020222789	0	47	-1.0	-51.96	362.07	-0.30	-52.26
CCN(C(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222789	1	47	-1.0	-51.97	362.14	-0.29	-52.26
CCN(C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222789	1	48	0.0	-65.33	364.58	2.04	-63.29
CCN(C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222789	1	48	0.0	-63.70	361.79	1.86	-61.84
FC1=CC2=C(OCOC2)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222790	0	38	0.0	-44.77	301.88	4.79	-39.98
FC1=CC2=C(OCOC2)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222790	1	38	0.0	-47.06	308.70	4.83	-42.23
FC1=CC2=C(OCOC2)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222790	1	37	-1.0	-41.49	305.95	2.20	-39.29
FC1=CC2=C(OCOC2)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222790	1	37	-1.0	-41.48	306.02	2.22	-39.26
CC1=CC(C(C)(C)C)=CC(C)=C1CCNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222791	0	59	-1.0	-46.05	442.87	5.62	-40.43
CC1=CC(C(C)(C)C)=CC(C)=C1CCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222791	1	60	0.0	-52.18	447.66	8.27	-43.91
CC1=CC(C(C)(C)C)=CC(C)=C1CCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222791	1	60	0.0	-47.72	449.37	8.29	-39.43
CC1=CC(C(C)(C)C)=CC(C)=C1CCNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222791	1	59	-1.0	-46.03	442.93	5.64	-40.39
CC(C)C(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C2OCCOC2=C1	REAL300020222792	0	53	-1.0	-47.40	404.98	2.59	-44.81
CC(C)C(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C2OCCOC2=C1	REAL300020222792	1	53	-1.0	-47.41	405.04	2.61	-44.80
COC1=CC=C(OC)C(C(C)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222793	0	49	-1.0	-45.61	386.33	1.10	-44.51
COC1=CC=C(OC)C(C(C)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222793	1	49	-1.0	-45.63	386.40	1.11	-44.52
COC1=CC(OC)=C(OC)C=C1CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222794	0	50	-1.0	-49.24	400.82	0.23	-49.01
COC1=CC(OC)=C(OC)C=C1CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222794	1	50	-1.0	-49.24	400.90	0.23	-49.01
CC(C)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222795	0	47	0.0	-42.68	384.10	8.29	-34.39
CC(C)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222795	1	47	0.0	-45.27	382.39	8.64	-36.63
CC(C)C1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222795	1	46	-1.0	-40.59	373.94	5.74	-34.85
CC(C)C1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222795	1	46	-1.0	-40.60	374.02	5.76	-34.84
CCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020222796	0	48	0.0	-47.58	350.29	6.60	-40.98
CCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020222796	1	48	0.0	-43.05	351.14	6.58	-36.47
CCN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020222796	1	47	-1.0	-46.18	346.99	4.10	-42.08
CCN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020222796	1	47	-1.0	-46.19	347.07	4.10	-42.09
BrC1=CC=C(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)S1	REAL300020222797	0	33	-1.0	-45.38	314.29	-1.33	-46.71
BrC1=CC=C(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)S1	REAL300020222797	1	33	-1.0	-45.38	314.35	-1.32	-46.70
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OC(F)F)C(Cl)=C1	REAL300020222798	0	39	-1.0	-43.52	345.21	1.88	-41.64
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OC(F)F)C(Cl)=C1	REAL300020222798	1	39	-1.0	-43.49	345.28	1.89	-41.60
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1SC(F)F	REAL300020222799	0	39	-1.0	-46.53	335.46	2.98	-43.55
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1SC(F)F	REAL300020222799	1	39	-1.0	-46.50	335.53	2.99	-43.51
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1C2CC3CC(C2)CC1C3	REAL300020222800	0	49	-1.0	-45.82	352.56	3.52	-42.30
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1C2CC3CC(C2)CC1C3	REAL300020222800	1	49	-1.0	-45.84	352.63	3.53	-42.31
ClC1=CC=CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020222801	0	36	-1.0	-40.55	324.15	2.44	-38.11
ClC1=CC=CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020222801	1	36	-1.0	-40.57	324.22	2.45	-38.12
OC(COC1=CC=C(Br)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222802	0	40	0.0	-50.85	341.40	3.60	-47.25
OC(COC1=CC=C(Br)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222802	1	40	0.0	-52.94	341.16	3.62	-49.32
N#CC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222803	0	41	0.0	-55.04	340.92	3.38	-51.66
N#CC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222803	1	41	0.0	-57.50	340.68	3.41	-54.09
COC1=CC=C(COCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222804	0	51	0.0	-55.17	404.07	2.66	-52.51
COC1=CC=C(COCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020222804	1	51	0.0	-55.47	400.30	2.98	-52.49
CCC(=O)C1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222805	0	48	0.0	-56.69	383.01	4.27	-52.42
CCC(=O)C1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222805	1	48	0.0	-59.40	382.77	4.29	-55.11
CCOC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222806	0	47	0.0	-51.30	371.46	3.18	-48.12
CCOC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222806	1	47	0.0	-53.37	371.22	3.21	-50.16
COC1=CC(C(C)=O)=CC=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222807	0	49	0.0	-61.24	389.56	3.60	-57.64
COC1=CC(C(C)=O)=CC=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222807	1	49	0.0	-61.37	391.74	3.43	-57.94
OC(COC1=CC=C(F)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222808	0	40	0.0	-51.59	326.51	3.04	-48.55
OC(COC1=CC=C(F)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222808	1	40	0.0	-53.89	326.27	3.07	-50.82
CN(C)S(=O)(=O)C1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222809	0	47	0.0	-57.06	380.47	3.46	-53.60
CN(C)S(=O)(=O)C1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222809	1	47	0.0	-55.85	383.73	3.38	-52.47
CCOC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222810	0	43	0.0	-49.71	336.95	5.72	-43.99
CCOC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222810	1	43	0.0	-48.38	339.49	5.58	-42.80
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020222811	0	48	0.0	-49.11	380.32	5.75	-43.36
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020222811	1	48	0.0	-48.62	380.48	5.80	-42.82
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020222811	1	47	-1.0	-46.20	375.09	3.06	-43.14
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020222811	1	47	-1.0	-46.24	375.15	3.08	-43.16
O=S(=O)(CCN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020222812	0	37	-1.0	-44.29	333.12	1.56	-42.73
O=S(=O)(CCN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222812	1	37	-1.0	-44.33	333.19	1.58	-42.75
O=S(=O)(CCN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020222813	0	37	-1.0	-44.00	315.82	0.94	-43.06
O=S(=O)(CCN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020222813	1	37	-1.0	-44.01	315.89	0.95	-43.06
N#CC1(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020222814	0	42	-1.0	-45.96	328.82	1.28	-44.68
N#CC1(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020222814	1	42	-1.0	-45.95	328.89	1.30	-44.65
FC(F)(F)C1=CC=CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020222815	0	39	-1.0	-41.36	346.46	2.94	-38.42
FC(F)(F)C1=CC=CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020222815	1	39	-1.0	-41.40	346.53	2.95	-38.45
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020222816	0	53	0.0	-55.48	408.33	6.22	-49.26
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020222816	1	53	0.0	-59.65	407.64	6.18	-53.47
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020222816	1	52	-1.0	-53.13	405.48	3.86	-49.27
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020222816	1	52	-1.0	-53.11	405.55	3.87	-49.24
CC1=NN(CC2=CC=CC=C2)C(C)=C1CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222817	0	54	-1.0	-49.29	432.58	4.18	-45.11
CC1=NN(CC2=CC=CC=C2)C(C)=C1CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222817	1	54	-1.0	-49.29	432.65	4.20	-45.09
COC1=CC=C(C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(C)C)C=C1	REAL300020222818	0	51	-1.0	-47.70	392.50	3.03	-44.67
COC1=CC=C(C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(C)C)C=C1	REAL300020222818	1	51	-1.0	-47.71	392.58	3.04	-44.67
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1N1CCCC1=O	REAL300020222819	0	46	-1.0	-52.43	372.56	3.30	-49.13
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1N1CCCC1=O	REAL300020222819	1	46	-1.0	-52.43	372.64	3.31	-49.12
CCOC(=O)C1=C(C)C=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020222820	0	44	-1.0	-48.20	371.38	2.87	-45.33
CCOC(=O)C1=C(C)C=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020222820	1	44	-1.0	-48.20	371.45	2.88	-45.32
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(N2CCCC2=O)=C1	REAL300020222821	0	46	-1.0	-47.63	367.88	2.87	-44.76
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(N2CCCC2=O)=C1	REAL300020222821	1	46	-1.0	-47.63	367.95	2.88	-44.75
CC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020222822	0	41	-1.0	-45.36	338.78	2.23	-43.13
CC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020222822	1	41	-1.0	-45.39	338.84	2.24	-43.15
COC1=CC=CC=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222823	0	42	-1.0	-41.10	333.94	1.64	-39.46
COC1=CC=CC=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222823	1	42	-1.0	-41.08	334.01	1.66	-39.42
CS(=O)(=O)C1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222824	0	41	-1.0	-48.66	350.37	-0.72	-49.38
CS(=O)(=O)C1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222824	1	41	-1.0	-48.67	350.44	-0.71	-49.38
CCN(CC(=O)NC(C)C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222825	0	47	-1.0	-52.44	370.91	1.04	-51.40
CCN(CC(=O)NC(C)C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222825	1	47	-1.0	-52.46	370.97	1.05	-51.41
CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222825	1	48	0.0	-49.27	375.59	3.67	-45.60
CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222825	1	48	0.0	-47.57	376.27	3.74	-43.83
CC(C)C1CCC(C)CC1OC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222826	0	52	-1.0	-41.90	382.83	5.84	-36.06
CC(C)C1CCC(C)CC1OC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222826	1	52	-1.0	-41.89	382.89	5.86	-36.03
NS(=O)(=O)C1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222827	0	41	0.0	-58.22	339.11	0.42	-57.80
NS(=O)(=O)C1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222827	1	41	0.0	-57.42	342.30	0.33	-57.09
CCN(CC)C(=O)C1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222828	0	51	-1.0	-56.80	397.50	3.16	-53.64
CCN(CC)C(=O)C1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222828	1	51	-1.0	-56.78	397.57	3.18	-53.60
C1=CC=C(C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2)C=C1	REAL300020222829	0	49	0.0	-47.25	385.40	9.80	-37.45
C1=CC=C(C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2)C=C1	REAL300020222829	1	49	0.0	-47.29	391.31	9.69	-37.60
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(CC1=CC=CO1)C1=CC=CC=C1	REAL300020222830	0	45	-1.0	-51.39	370.17	5.36	-46.03
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CO1)C1=CC=CC=C1	REAL300020222830	1	45	-1.0	-51.40	370.24	5.38	-46.02
O=S(=O)(C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)F	REAL300020222831	0	38	0.0	-54.87	331.15	3.54	-51.33
O=S(=O)(C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)F	REAL300020222831	1	38	0.0	-55.71	331.63	3.47	-52.24
O=S(=O)(C1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1)C(F)F	REAL300020222831	1	37	-1.0	-44.32	328.21	1.11	-43.21
O=S(=O)(C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)F	REAL300020222831	1	37	-1.0	-44.31	328.28	1.12	-43.19
ClC1=CC=C(C2=CN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020222832	0	37	-1.0	-39.00	328.94	2.10	-36.90
ClC1=CC=C(C2=CN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020222832	1	37	-1.0	-39.01	329.00	2.12	-36.89
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1COC2=CC=CC=C2O1	REAL300020222833	0	44	-1.0	-44.88	356.10	0.88	-44.00
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1COC2=CC=CC=C2O1	REAL300020222833	1	44	-1.0	-44.90	356.18	0.89	-44.01
CN(CC1=CC=C(Cl)S1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222834	0	38	-1.0	-47.00	339.15	3.48	-43.52
CN(CC1=CC=C(Cl)S1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222834	1	38	-1.0	-46.97	339.22	3.49	-43.48
BrC1=CC2=C(C=C1CN1CCC(C3=N[N-]N=N3)C1)OCO2	REAL300020222835	0	34	-1.0	-40.00	300.74	2.60	-37.40
BrC1=CC2=C(C=C1C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020222835	1	35	0.0	-46.99	300.31	4.87	-42.12
BrC1=CC2=C(C=C1C[N@H+]1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020222835	1	35	0.0	-48.24	301.34	4.82	-43.42
BrC1=CC2=C(C=C1CN1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020222835	1	34	-1.0	-40.03	300.81	2.61	-37.42
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(CC1=CC=CO1)CC(F)(F)F	REAL300020222836	0	41	-1.0	-46.56	344.42	2.96	-43.60
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CO1)CC(F)(F)F	REAL300020222836	1	41	-1.0	-46.59	344.49	2.97	-43.62
CC(C)(C)C1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222837	0	47	-1.0	-45.59	352.72	4.44	-41.15
CC(C)(C)C1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222837	1	47	-1.0	-45.60	352.79	4.44	-41.16
CC(C)CN1CCOC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C1	REAL300020222838	0	53	-1.0	-44.68	402.57	-0.44	-45.12
CC(C)C[N@@H+]1CCOC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C1	REAL300020222838	1	54	0.0	-69.17	404.73	1.68	-67.49
CC(C)C[N@H+]1CCOC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C1	REAL300020222838	1	54	0.0	-70.21	397.00	1.44	-68.77
CC(C)CN1CCOC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C1	REAL300020222838	1	53	-1.0	-44.70	402.63	-0.42	-45.12
C1=CC=C(CC2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020222839	0	39	-1.0	-38.29	330.01	2.31	-35.98
C1=CC=C(CC2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020222839	1	39	-1.0	-38.34	330.07	2.32	-36.02
C1=C(CN2CCC(C3=N[N-]N=N3)C2)N=C(CC2=CC=CC=C2)S1	REAL300020222840	0	40	-1.0	-39.59	336.97	4.53	-35.06
C1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(CC2=CC=CC=C2)S1	REAL300020222840	1	40	-1.0	-39.63	337.04	4.54	-35.09
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(CC2=CC=CC=C2)S1	REAL300020222840	1	41	0.0	-42.49	347.15	7.08	-35.41
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(CC2=CC=CC=C2)S1	REAL300020222840	1	41	0.0	-44.60	347.27	7.26	-37.34
CC(C)C1=CC=C(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020222841	0	45	-1.0	-40.68	367.58	3.86	-36.82
CC(C)C1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020222841	1	45	-1.0	-40.72	367.65	3.87	-36.85
BrC1=CC2=C(C=C1C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020222842	0	38	0.0	-45.66	318.91	5.39	-40.27
BrC1=CC2=C(C=C1C[N@H+]1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020222842	1	38	0.0	-42.87	317.63	5.32	-37.55
BrC1=CC2=C(C=C1CN1CCC(C3=N[N-]N=N3)C1)OCCO2	REAL300020222842	1	37	-1.0	-39.30	319.72	2.89	-36.41
BrC1=CC2=C(C=C1CN1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020222842	1	37	-1.0	-39.29	319.79	2.91	-36.38
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020222843	0	54	-1.0	-47.23	426.43	8.12	-39.11
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020222843	1	55	0.0	-47.85	431.50	10.79	-37.06
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020222843	1	55	0.0	-52.03	431.25	10.76	-41.27
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020222843	1	54	-1.0	-47.26	426.49	8.13	-39.13
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC(C)=C1CC	REAL300020222844	0	50	-1.0	-45.79	414.45	4.22	-41.57
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC(C)=C1CC	REAL300020222844	1	50	-1.0	-45.81	414.52	4.23	-41.58
CC1=CC(N(CCC#N)C(=O)CN2CCC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL300020222845	0	48	-1.0	-47.21	391.23	5.82	-41.39
CC1=CC(N(CCC#N)C(=O)CN2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020222845	1	48	-1.0	-47.20	391.30	5.83	-41.37
CC1=CC(N(CCC#N)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020222845	1	49	0.0	-59.16	395.96	8.41	-50.75
CC1=CC(N(CCC#N)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020222845	1	49	0.0	-59.29	395.88	8.40	-50.89
CCC1=CC=CC=C1N(C(C)=O)C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020222846	0	50	-1.0	-48.29	410.04	6.50	-41.79
CCC1=CC=CC=C1N(C(C)=O)C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222846	1	50	-1.0	-48.26	410.11	6.51	-41.75
COC1=CC=CC(CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222847	0	45	-1.0	-46.57	358.75	2.89	-43.68
COC1=CC=CC(CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222847	1	46	0.0	-49.38	363.55	5.54	-43.84
COC1=CC=CC(CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222847	1	46	0.0	-46.00	364.28	5.53	-40.47
COC1=CC=CC(CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222847	1	45	-1.0	-46.56	358.82	2.91	-43.65
CCOC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222848	0	45	0.0	-44.16	375.24	6.61	-37.55
CCOC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222848	1	45	0.0	-46.54	375.37	6.81	-39.73
CCOC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222848	1	44	-1.0	-39.44	372.54	4.06	-35.38
CCOC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222848	1	44	-1.0	-39.44	372.61	4.08	-35.36
CC1=CC=CC(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020222849	0	44	-1.0	-41.22	341.67	3.66	-37.56
CC1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222849	1	45	0.0	-52.35	344.51	6.12	-46.23
CC1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222849	1	45	0.0	-48.25	342.58	5.95	-42.30
CC1=CC=CC(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222849	1	44	-1.0	-41.21	341.74	3.67	-37.54
FC1=CC=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020222850	0	38	0.0	-52.43	320.35	6.82	-45.61
FC1=CC=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020222850	1	38	0.0	-54.55	319.68	6.90	-47.65
C1=C(CN2CCC(C3=N[N-]N=N3)C2)N=C(C2CCCCC2)S1	REAL300020222851	0	43	-1.0	-39.58	338.32	3.82	-35.76
C1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2CCCCC2)S1	REAL300020222851	1	43	-1.0	-39.57	338.39	3.83	-35.74
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2CCCCC2)S1	REAL300020222851	1	44	0.0	-44.67	347.15	6.53	-38.14
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2CCCCC2)S1	REAL300020222851	1	44	0.0	-42.72	347.76	6.69	-36.03
N#CC1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCC2	REAL300020222852	0	47	0.0	-54.06	386.41	6.70	-47.36
N#CC1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCC2	REAL300020222852	1	47	0.0	-57.68	387.13	6.82	-50.86
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020222853	0	51	0.0	-60.04	393.06	6.00	-54.04
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020222853	1	51	0.0	-61.10	391.72	5.93	-55.17
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020222853	1	51	0.0	-60.01	392.99	6.00	-54.01
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020222853	1	51	0.0	-61.02	391.65	5.91	-55.11
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=NC=CC=N2)CC1	REAL300020222854	0	49	0.0	-55.74	379.95	5.47	-50.27
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=NC=CC=N2)CC1	REAL300020222854	1	49	0.0	-58.95	379.83	5.52	-53.43
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=NC=CC=N2)CC1	REAL300020222854	1	49	0.0	-55.71	379.88	5.47	-50.24
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=NC=CC=N2)CC1	REAL300020222854	1	49	0.0	-58.93	379.75	5.50	-53.43
ClC1=CC=C(OCC2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222855	0	41	-1.0	-40.26	369.65	3.86	-36.40
ClC1=CC=C(OCC2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222855	1	41	-1.0	-40.23	369.72	3.87	-36.36
ClC1=CC=C(OCC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222855	1	42	0.0	-48.98	370.93	6.41	-42.57
ClC1=CC=C(OCC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222855	1	42	0.0	-46.78	371.59	6.57	-40.21
CC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)O1	REAL300020222856	0	37	-1.0	-44.10	318.06	2.53	-41.57
CC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020222856	1	37	-1.0	-44.12	318.13	2.54	-41.58
CC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020222856	1	38	0.0	-46.74	328.22	5.32	-41.42
CC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020222856	1	38	0.0	-48.64	326.69	5.59	-43.05
N#CC1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020222857	0	37	0.0	-54.41	323.35	4.09	-50.32
N#CC1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020222857	1	37	0.0	-58.08	324.06	4.21	-53.87
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1F	REAL300020222858	0	39	0.0	-57.00	318.95	4.78	-52.22
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1F	REAL300020222858	1	39	0.0	-55.81	320.17	4.83	-50.98
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1F	REAL300020222858	1	39	0.0	-57.00	318.88	4.77	-52.23
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1F	REAL300020222858	1	39	0.0	-55.78	320.10	4.83	-50.95
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OCOC2=C1	REAL300020222859	0	42	0.0	-59.23	339.64	3.31	-55.92
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OCOC2=C1	REAL300020222859	1	42	0.0	-56.61	339.55	3.27	-53.34
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OCOC2=C1	REAL300020222859	1	42	0.0	-59.15	339.56	3.30	-55.85
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OCOC2=C1	REAL300020222859	1	42	0.0	-56.54	339.49	3.25	-53.29
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1	REAL300020222860	0	39	0.0	-54.09	334.78	5.22	-48.87
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1	REAL300020222860	1	39	0.0	-59.23	335.54	5.35	-53.88
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1	REAL300020222860	1	39	0.0	-53.97	334.71	5.22	-48.75
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1	REAL300020222860	1	39	0.0	-59.21	335.46	5.35	-53.86
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC(C(F)(F)F)=CC=C1Cl	REAL300020222861	0	38	-1.0	-45.14	339.67	3.05	-42.09
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC(C(F)(F)F)=CC=C1Cl	REAL300020222861	1	38	-1.0	-45.15	339.73	3.06	-42.09
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020222862	0	38	-1.0	-39.51	328.63	2.75	-36.76
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020222862	1	38	-1.0	-39.48	328.70	2.76	-36.72
CC1=C(Cl)C=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222863	0	38	-1.0	-44.03	317.82	2.68	-41.35
CC1=C(Cl)C=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222863	1	38	-1.0	-44.04	317.88	2.69	-41.35
CC1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020222864	0	41	-1.0	-46.03	321.76	2.85	-43.18
CC1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222864	1	41	-1.0	-46.02	321.83	2.86	-43.16
COC1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222865	0	39	-1.0	-41.34	319.18	1.06	-40.28
COC1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222865	1	39	-1.0	-41.32	319.25	1.07	-40.25
COC1=CC=C(C)C=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222866	0	42	-1.0	-45.91	335.38	1.50	-44.41
COC1=CC=C(C)C=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222866	1	42	-1.0	-45.91	335.45	1.51	-44.40
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Cl)=C1	REAL300020222867	0	35	-1.0	-45.11	302.70	1.99	-43.12
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Cl)=C1	REAL300020222867	1	35	-1.0	-45.12	302.77	2.00	-43.12
CC1=CC=C(C)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222868	0	41	-1.0	-45.91	326.17	2.99	-42.92
CC1=CC=C(C)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222868	1	41	-1.0	-45.91	326.23	3.00	-42.91
CC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020222869	0	41	-1.0	-47.61	327.77	3.15	-44.46
CC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222869	1	41	-1.0	-47.61	327.84	3.15	-44.46
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(F)(F)F	REAL300020222870	0	38	-1.0	-43.95	321.08	2.85	-41.10
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(F)(F)F	REAL300020222870	1	38	-1.0	-43.95	321.16	2.85	-41.10
COC1=CC=C(Cl)C=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222871	0	39	-1.0	-46.54	330.70	1.33	-45.21
COC1=CC=C(Cl)C=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222871	1	39	-1.0	-46.55	330.76	1.35	-45.20
CC(C(=O)NC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222872	0	38	-1.0	-48.17	322.08	2.66	-45.51
CC(C(=O)NC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222872	1	38	-1.0	-48.16	322.14	2.68	-45.48
CC(C(=O)NC1=CC=CC(Cl)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222872	1	39	0.0	-53.29	325.08	5.16	-48.13
CC(C(=O)NC1=CC=CC(Cl)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222872	1	39	0.0	-45.78	324.61	5.05	-40.73
COC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020222873	0	43	-1.0	-46.56	345.89	0.28	-46.28
COC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020222873	1	43	-1.0	-46.56	345.96	0.29	-46.27
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC(F)=CC=C1F	REAL300020222874	0	35	-1.0	-45.22	297.48	1.59	-43.63
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC(F)=CC=C1F	REAL300020222874	1	35	-1.0	-45.26	297.54	1.60	-43.66
CC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020222875	0	38	-1.0	-43.26	316.63	2.46	-40.80
CC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020222875	1	38	-1.0	-43.27	316.70	2.47	-40.80
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222876	0	53	-1.0	-44.63	400.44	5.50	-39.13
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222876	1	53	-1.0	-44.64	400.51	5.52	-39.12
CCC1=CC=CC(C)=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222877	0	44	-1.0	-44.70	343.08	3.82	-40.88
CCC1=CC=CC(C)=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222877	1	44	-1.0	-44.67	343.15	3.84	-40.83
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OC(F)(F)OC2=C1	REAL300020222878	0	38	-1.0	-50.30	325.88	0.49	-49.81
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OC(F)(F)OC2=C1	REAL300020222878	1	38	-1.0	-50.34	325.94	0.50	-49.84
CC(C(=O)NC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222879	0	41	-1.0	-38.91	358.06	3.63	-35.28
CC(C(=O)NC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222879	1	41	-1.0	-38.93	358.13	3.65	-35.28
CC(C(=O)NC1=CC=C(Cl)C(C(F)(F)F)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222879	1	42	0.0	-58.27	359.64	5.95	-52.32
CC(C(=O)NC1=CC=C(Cl)C(C(F)(F)F)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222879	1	42	0.0	-50.80	358.87	5.97	-44.83
CC(C(=O)NC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222880	0	41	-1.0	-46.91	342.93	3.30	-43.61
CC(C(=O)NC1=CC=C(C(F)(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222880	1	42	0.0	-57.78	347.01	5.49	-52.29
CC(C(=O)NC1=CC=C(C(F)(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222880	1	42	0.0	-57.94	346.24	5.51	-52.43
CC(C(=O)NC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222880	1	41	-1.0	-46.95	343.00	3.31	-43.64
C1=C(CN2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CC=N2)S1	REAL300020222881	0	36	-1.0	-48.82	316.19	2.16	-46.66
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=N2)S1	REAL300020222881	1	37	0.0	-45.50	319.36	4.51	-40.99
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=N2)S1	REAL300020222881	1	37	0.0	-49.00	317.64	4.85	-44.15
C1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=N2)S1	REAL300020222881	1	36	-1.0	-48.81	316.26	2.17	-46.64
COC1=CC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020222882	0	50	-1.0	-48.07	405.67	0.84	-47.23
COC1=CC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020222882	1	50	-1.0	-48.10	405.75	0.85	-47.25
CC(C(=O)NC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020222883	0	38	-1.0	-47.90	320.60	2.89	-45.01
CC(C(=O)NC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020222883	1	38	-1.0	-47.88	320.68	2.91	-44.97
CC(C(=O)NCC1=CC=C(Cl)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222884	0	42	0.0	-43.93	350.74	5.19	-38.74
CC(C(=O)NCC1=CC=C(Cl)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222884	1	42	0.0	-44.10	350.88	5.18	-38.92
CC(C(=O)NCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222884	1	41	-1.0	-44.66	347.17	2.93	-41.73
CC(C(=O)NCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222884	1	41	-1.0	-44.60	347.24	2.95	-41.65
CC(C(=O)NC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222885	0	38	-1.0	-48.08	326.64	2.77	-45.31
CC(C(=O)NC1=CC=CC(Br)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222885	1	39	0.0	-53.25	329.64	5.27	-47.98
CC(C(=O)NC1=CC=CC(Br)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222885	1	39	0.0	-45.79	329.17	5.15	-40.64
CC(C(=O)NC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222885	1	38	-1.0	-48.05	326.70	2.78	-45.27
CC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020222886	0	44	-1.0	-51.12	345.79	3.81	-47.31
CC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222886	1	45	0.0	-48.13	346.97	6.08	-42.05
CC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222886	1	45	0.0	-46.63	345.95	6.09	-40.54
CC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020222886	1	44	-1.0	-51.10	345.87	3.83	-47.27
CC(C(=O)NC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222887	0	38	-1.0	-49.49	311.76	2.21	-47.28
CC(C(=O)NC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222887	1	38	-1.0	-49.51	311.82	2.23	-47.28
CC(C(=O)NC1=CC=CC(F)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222887	1	39	0.0	-54.27	314.75	4.71	-49.56
CC(C(=O)NC1=CC=CC(F)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222887	1	39	0.0	-46.70	314.29	4.60	-42.10
CC1=C(Cl)C=CC=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222888	0	41	-1.0	-44.30	336.93	3.46	-40.84
CC1=C(Cl)C=CC=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222888	1	41	-1.0	-44.25	336.99	3.47	-40.78
CC1=C(Cl)C=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222888	1	42	0.0	-51.99	340.88	5.99	-46.00
CC1=C(Cl)C=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222888	1	42	0.0	-48.65	339.66	5.85	-42.80
CC(C(=O)NC1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020222889	0	38	-1.0	-37.80	317.45	2.40	-35.40
CC(C(=O)NC1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020222889	1	38	-1.0	-37.78	317.53	2.42	-35.36
CC(C(=O)NC1=CC(F)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020222890	0	38	-1.0	-49.64	317.94	2.43	-47.21
CC(C(=O)NC1=CC(F)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020222890	1	38	-1.0	-49.70	318.01	2.44	-47.26
CC(C(=O)NC1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020222891	0	38	-1.0	-43.72	322.52	2.45	-41.27
CC(C(=O)NC1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020222891	1	38	-1.0	-43.71	322.59	2.46	-41.25
CC(C(=O)NC1=CC=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222892	0	38	-1.0	-42.52	316.46	2.33	-40.19
CC(C(=O)NC1=CC=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222892	1	38	-1.0	-42.52	316.53	2.34	-40.18
CC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020222893	0	41	-1.0	-46.73	330.45	2.91	-43.82
CC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020222893	1	41	-1.0	-46.71	330.53	2.93	-43.78
CC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020222893	1	42	0.0	-46.73	334.48	5.25	-41.48
CC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020222893	1	42	0.0	-47.88	333.71	5.25	-42.63
CC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020222894	0	41	-1.0	-38.82	345.54	3.65	-35.17
CC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020222894	1	41	-1.0	-38.85	345.61	3.66	-35.19
CC1=CC=C(Cl)C=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222895	0	41	-1.0	-41.39	340.44	3.58	-37.81
CC1=CC=C(Cl)C=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222895	1	41	-1.0	-41.37	340.51	3.60	-37.77
CC1=CC=C(Cl)C=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222895	1	42	0.0	-54.68	343.56	6.07	-48.61
CC1=CC=C(Cl)C=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222895	1	42	0.0	-53.31	341.58	5.94	-47.37
CC1=CC=CC(C)=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020222896	0	44	-1.0	-45.88	345.31	3.89	-41.99
CC1=CC=CC(C)=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222896	1	45	0.0	-44.09	344.95	6.13	-37.96
CC1=CC=CC(C)=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222896	1	45	0.0	-46.69	342.98	6.16	-40.53
CC1=CC=CC(C)=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020222896	1	44	-1.0	-45.89	345.38	3.90	-41.99
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300020222897	0	54	-1.0	-47.75	408.16	3.28	-44.47
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300020222897	1	54	-1.0	-47.75	408.24	3.30	-44.45
CC1=CC=C(OCC2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222898	0	44	-1.0	-44.47	366.86	4.02	-40.45
CC1=CC=C(OCC2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222898	1	44	-1.0	-44.50	366.94	4.03	-40.47
CC1=CC=C(OCC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222898	1	45	0.0	-48.55	375.60	6.56	-41.99
CC1=CC=C(OCC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222898	1	45	0.0	-46.20	376.26	6.72	-39.48
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(OC(F)F)C=C1	REAL300020222899	0	42	-1.0	-42.51	354.98	1.46	-41.05
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(OC(F)F)C=C1	REAL300020222899	1	42	-1.0	-42.55	355.06	1.47	-41.08
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300020222900	0	48	-1.0	-48.99	384.52	6.82	-42.17
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300020222900	1	49	0.0	-42.26	392.98	9.68	-32.58
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300020222900	1	49	0.0	-43.89	393.07	9.59	-34.30
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300020222900	1	48	-1.0	-48.99	384.59	6.82	-42.17
ClC1=CC=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020222901	0	38	0.0	-51.81	330.67	7.27	-44.54
ClC1=CC=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020222901	1	38	0.0	-53.87	330.00	7.35	-46.52
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1Cl	REAL300020222902	0	39	0.0	-56.50	328.01	5.32	-51.18
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1Cl	REAL300020222902	1	39	0.0	-55.40	329.23	5.36	-50.04
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1Cl	REAL300020222902	1	39	0.0	-56.50	327.93	5.30	-51.20
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1Cl	REAL300020222902	1	39	0.0	-55.32	329.16	5.36	-49.96
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Cl)=C1	REAL300020222903	0	39	0.0	-55.63	330.27	5.18	-50.45
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Cl)=C1	REAL300020222903	1	39	0.0	-57.09	330.55	5.14	-51.95
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Cl)=C1	REAL300020222903	1	39	0.0	-55.60	330.20	5.16	-50.44
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Cl)=C1	REAL300020222903	1	39	0.0	-57.09	330.48	5.12	-51.97
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(F)=C1	REAL300020222904	0	39	0.0	-56.29	319.95	4.73	-51.56
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(F)=C1	REAL300020222904	1	39	0.0	-57.67	320.24	4.68	-52.99
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(F)=C1	REAL300020222904	1	39	0.0	-56.22	319.88	4.71	-51.51
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(F)=C1	REAL300020222904	1	39	0.0	-57.63	320.17	4.67	-52.96
COC1=CC=C(Cl)C=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222905	0	43	0.0	-52.81	358.21	4.53	-48.28
COC1=CC=C(Cl)C=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222905	1	43	0.0	-57.75	359.78	4.66	-53.09
COC1=CC=C(Cl)C=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222905	1	43	0.0	-52.81	358.14	4.52	-48.29
COC1=CC=C(Cl)C=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020222905	1	43	0.0	-57.71	359.71	4.65	-53.06
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1F	REAL300020222906	0	39	0.0	-57.00	318.95	4.78	-52.22
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1F	REAL300020222906	1	39	0.0	-55.81	320.17	4.83	-50.98
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1F	REAL300020222906	1	39	0.0	-57.00	318.88	4.77	-52.23
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1F	REAL300020222906	1	39	0.0	-55.78	320.10	4.83	-50.95
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1F	REAL300020222907	0	39	0.0	-57.50	335.67	5.31	-52.19
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1F	REAL300020222907	1	39	0.0	-56.31	336.89	5.35	-50.96
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1F	REAL300020222907	1	39	0.0	-57.46	335.60	5.29	-52.17
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1F	REAL300020222907	1	39	0.0	-56.31	336.82	5.35	-50.96
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1F	REAL300020222908	0	39	0.0	-57.54	340.23	5.41	-52.13
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1F	REAL300020222908	1	39	0.0	-56.35	341.45	5.46	-50.89
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1F	REAL300020222908	1	39	0.0	-57.49	340.16	5.40	-52.09
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1F	REAL300020222908	1	39	0.0	-56.34	341.38	5.45	-50.89
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC=C1Cl	REAL300020222909	0	42	0.0	-49.83	353.98	5.13	-44.70
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC=C1Cl	REAL300020222909	1	42	0.0	-54.73	354.73	5.26	-49.47
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC=C1Cl	REAL300020222909	1	42	0.0	-49.81	353.91	5.13	-44.68
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC=C1Cl	REAL300020222909	1	42	0.0	-54.66	354.65	5.26	-49.40
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCCC2=CC=CC=C21	REAL300020222910	0	49	0.0	-54.02	372.79	6.47	-47.55
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCCC2=CC=CC=C21	REAL300020222910	1	49	0.0	-57.25	372.21	6.48	-50.77
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1CCCC2=CC=CC=C21	REAL300020222910	1	49	0.0	-53.96	372.72	6.45	-47.51
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1CCCC2=CC=CC=C21	REAL300020222910	1	49	0.0	-57.23	372.14	6.47	-50.76
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C21	REAL300020222911	0	43	0.0	-50.48	334.02	6.55	-43.93
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C21	REAL300020222911	1	43	0.0	-55.85	334.77	6.68	-49.17
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C21	REAL300020222911	1	43	0.0	-50.40	333.95	6.54	-43.86
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C21	REAL300020222911	1	43	0.0	-55.77	334.70	6.67	-49.10
CC1=C(C)C(C#N)=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020222912	0	39	-1.0	-42.39	336.59	2.37	-40.02
CC1=C(C)C(C#N)=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020222912	1	39	-1.0	-42.42	336.66	2.38	-40.04
CC(C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222913	0	42	-1.0	-40.37	364.12	3.43	-36.94
CC(C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222913	1	42	-1.0	-40.41	364.19	3.43	-36.98
CC(C(=O)NCCC1=CNC2=CC=CC=C12)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222914	0	49	0.0	-47.02	387.42	5.51	-41.51
CC(C(=O)NCCC1=CNC2=CC=CC=C12)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222914	1	49	0.0	-55.41	386.28	5.53	-49.88
CC(C(=O)NCCC1=CNC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020222914	1	48	-1.0	-57.65	385.02	3.15	-54.50
CC(C(=O)NCCC1=CNC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020222914	1	48	-1.0	-57.65	385.08	3.17	-54.48
CC1=CC=C(C2=NOC(C(C)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1F	REAL300020222915	0	42	-1.0	-47.39	344.78	2.60	-44.79
CC1=CC=C(C2=NOC(C(C)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1F	REAL300020222915	1	42	-1.0	-47.37	344.85	2.62	-44.75
CC(C(=O)NC1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222916	0	49	-1.0	-51.31	383.30	3.27	-48.04
CC(C(=O)NC1=CC=CC(N2CCCC2=O)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222916	1	50	0.0	-55.62	385.84	5.76	-49.86
CC(C(=O)NC1=CC=CC(N2CCCC2=O)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222916	1	50	0.0	-48.00	385.43	5.63	-42.37
CC(C(=O)NC1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222916	1	49	-1.0	-51.38	383.37	3.29	-48.09
CCCN(C(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1CCS(=O)(=O)C1	REAL300020222917	0	50	-1.0	-50.64	385.25	0.72	-49.92
CCCN(C(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222917	1	50	-1.0	-50.66	385.32	0.73	-49.93
CCCN(C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222917	1	51	0.0	-57.59	388.34	3.01	-54.58
CCCN(C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020222917	1	51	0.0	-52.55	389.49	3.08	-49.47
CC(C(=O)N(C)CCOC1=CC=C(Cl)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222918	0	49	0.0	-49.93	389.02	6.53	-43.40
CC(C(=O)N(C)CCOC1=CC=C(Cl)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222918	1	49	0.0	-46.68	394.23	6.75	-39.93
CC(C(=O)N(C)CCOC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222918	1	48	-1.0	-46.05	392.44	4.41	-41.64
CC(C(=O)N(C)CCOC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222918	1	48	-1.0	-46.09	392.51	4.42	-41.67
CCC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020222919	0	44	-1.0	-44.97	361.87	3.70	-41.27
CCC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020222919	1	44	-1.0	-44.97	361.95	3.71	-41.26
COC1=CC=C(C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C2CC2)C=C1	REAL300020222920	0	49	-1.0	-43.33	383.99	3.16	-40.17
COC1=CC=C(C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020222920	1	49	-1.0	-43.34	384.06	3.17	-40.17
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1(C2=CC=CC=C2)CCCC1	REAL300020222921	0	51	-1.0	-41.94	386.15	5.14	-36.80
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1(C2=CC=CC=C2)CCCC1	REAL300020222921	1	51	-1.0	-41.90	386.23	5.16	-36.74
CC1=CC=C(C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C2CC2)C=C1	REAL300020222922	0	48	-1.0	-45.37	374.63	5.18	-40.19
CC1=CC=C(C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020222922	1	48	-1.0	-45.39	374.71	5.18	-40.21
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1(C2=CC=CC=C2)CC1	REAL300020222923	0	45	-1.0	-40.09	367.53	3.94	-36.15
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1(C2=CC=CC=C2)CC1	REAL300020222923	1	45	-1.0	-40.09	367.60	3.95	-36.14
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300020222924	0	52	-1.0	-52.90	409.76	2.74	-50.16
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300020222924	1	52	-1.0	-52.89	409.83	2.76	-50.13
CC(C1=NC(C2=CC=CS2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222925	0	36	-1.0	-45.63	316.56	1.42	-44.21
CC(C1=NC(C2=CC=CS2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222925	1	36	-1.0	-45.63	316.63	1.43	-44.20
CCOC(=O)C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020222926	0	36	-1.0	-42.34	312.29	1.67	-40.67
CCOC(=O)C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020222926	1	36	-1.0	-42.34	312.36	1.69	-40.65
O=[N+]([O-])C1=CC=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222927	0	38	0.0	-59.04	313.06	6.23	-52.81
O=[N+]([O-])C1=CC=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222927	1	38	0.0	-61.12	315.54	5.96	-55.16
CC(C1=NC(C2=CC=CN=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222928	0	38	-1.0	-40.38	320.06	0.63	-39.75
CC(C1=NC(C2=CC=CN=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222928	1	38	-1.0	-40.46	320.13	0.64	-39.82
COC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C(OC)=C1	REAL300020222929	0	45	-1.0	-44.41	369.36	2.52	-41.89
COC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C(OC)=C1	REAL300020222929	1	46	0.0	-45.47	379.52	5.32	-40.15
COC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C(OC)=C1	REAL300020222929	1	46	0.0	-46.34	377.96	5.58	-40.76
COC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C(OC)=C1	REAL300020222929	1	45	-1.0	-44.43	369.43	2.53	-41.90
COC1=CC=C(Br)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020222930	0	35	-1.0	-39.71	306.03	3.05	-36.66
COC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222930	1	36	0.0	-42.82	301.51	5.74	-37.08
COC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222930	1	36	0.0	-42.72	306.14	5.58	-37.14
COC1=CC=C(Br)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020222930	1	35	-1.0	-39.76	306.11	3.06	-36.70
CC1=CC=C(C)C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222931	0	45	0.0	-48.91	351.61	7.39	-41.52
CC1=CC=C(C)C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222931	1	45	0.0	-50.15	350.91	7.45	-42.70
CC1=CC=C(C)C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222931	1	45	0.0	-48.84	351.54	7.38	-41.46
CC1=CC=C(C)C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222931	1	45	0.0	-50.11	350.84	7.44	-42.67
BrC1=CC=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222932	0	36	0.0	-48.41	306.15	6.18	-42.23
BrC1=CC=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222932	1	36	0.0	-52.00	308.63	5.91	-46.09
CSC1=CC2=NC(Cl)=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222933	0	41	0.0	-49.86	352.84	7.49	-42.37
CSC1=CC2=NC(Cl)=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222933	1	41	0.0	-57.72	353.17	7.38	-50.34
CSC1=CC2=NC(Cl)=C(CN3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020222933	1	40	-1.0	-40.95	352.80	4.88	-36.07
CC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020222934	0	38	-1.0	-42.06	313.30	2.25	-39.81
CC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020222934	1	38	-1.0	-42.08	313.37	2.26	-39.82
CC1=CC=C(NC2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020222935	0	42	-1.0	-39.75	353.46	4.04	-35.71
CC1=CC=C(NC2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222935	1	42	-1.0	-39.76	353.53	4.05	-35.71
CC1=CC=C(NC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222935	1	43	0.0	-42.63	356.17	6.59	-36.04
CC1=CC=C(NC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020222935	1	43	0.0	-45.09	356.17	6.78	-38.31
CCOC(=O)C1=C(C)C2=CC=CC=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222936	0	49	0.0	-41.11	391.65	8.13	-32.98
CCOC(=O)C1=C(C)C2=CC=CC=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222936	1	49	0.0	-41.17	391.77	8.13	-33.04
CCOC(=O)C1=C(C)C2=CC=CC=C2N=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020222936	1	48	-1.0	-45.02	389.73	5.68	-39.34
CCOC(=O)C1=C(C)C2=CC=CC=C2N=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020222936	1	48	-1.0	-45.02	389.80	5.69	-39.33
CCCCOC1=CC=C(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020222937	0	49	-1.0	-41.40	402.34	1.07	-40.33
CCCCOC1=CC=C(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020222937	1	49	-1.0	-41.38	402.41	1.08	-40.30
COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020222938	0	38	0.0	-64.09	313.60	6.29	-57.80
COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020222938	1	38	0.0	-60.71	311.73	6.28	-54.43
COC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020222938	1	37	-1.0	-43.49	302.36	3.38	-40.11
O=S(=O)(CCN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020222939	0	37	-1.0	-44.20	337.68	1.67	-42.53
O=S(=O)(CCN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020222939	1	37	-1.0	-44.17	337.76	1.68	-42.49
O=S(=O)(CCN1CCC(C2=N[N-]N=N2)C1)C1=CC(Cl)=CC=C1Cl	REAL300020222940	0	37	-1.0	-43.98	341.23	1.79	-42.19
O=S(=O)(CCN1CCC(C2=NN=N[N-]2)C1)C1=CC(Cl)=CC=C1Cl	REAL300020222940	1	37	-1.0	-43.98	341.31	1.80	-42.18
COC1=CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=CC=C1OC(F)F	REAL300020222941	0	44	-1.0	-43.61	375.83	1.44	-42.17
COC1=CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=CC=C1OC(F)F	REAL300020222941	1	44	-1.0	-43.63	375.91	1.44	-42.19
ClC1=CC=C(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020222942	0	36	-1.0	-39.42	324.13	2.46	-36.96
ClC1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020222942	1	36	-1.0	-39.41	324.21	2.47	-36.94
ClC1=CN2C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020222943	0	35	0.0	-48.61	302.30	6.60	-42.01
ClC1=CN2C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020222943	1	35	0.0	-44.70	302.93	6.66	-38.04
ClC1=CN2C=C(CN3CCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020222943	1	34	-1.0	-40.76	300.44	4.04	-36.72
ClC1=CN2C=C(CN3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020222943	1	34	-1.0	-40.71	300.51	4.05	-36.66
CC1=CC(C2=NOC(C(C)N3CCC(C4=N[N-]N=N4)C3)=N2)=CC=C1F	REAL300020222944	0	42	-1.0	-41.54	353.26	3.10	-38.44
CC1=CC(C2=NOC(C(C)N3CCC(C4=NN=N[N-]4)C3)=N2)=CC=C1F	REAL300020222944	1	42	-1.0	-41.54	353.33	3.11	-38.43
BrC1=CN2C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020222945	0	35	0.0	-48.68	306.86	6.71	-41.97
BrC1=CN2C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020222945	1	35	0.0	-44.75	307.50	6.76	-37.99
BrC1=CN2C=C(CN3CCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020222945	1	34	-1.0	-40.60	305.01	4.14	-36.46
BrC1=CN2C=C(CN3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020222945	1	34	-1.0	-40.61	305.07	4.16	-36.45
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020222946	0	39	0.0	-51.97	323.62	4.66	-47.31
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020222946	1	39	0.0	-52.01	322.33	4.72	-47.29
C1=CC=C(CCOCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222947	0	45	0.0	-47.74	357.43	7.24	-40.50
C1=CC=C(CCOCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222947	1	45	0.0	-48.10	356.96	7.27	-40.83
C1=CC=C(CCOCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222947	1	45	0.0	-47.74	357.36	7.22	-40.52
C1=CC=C(CCOCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222947	1	45	0.0	-48.04	356.89	7.27	-40.77
C1=CC=C(N2N=NN=C2CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222948	0	40	0.0	-58.91	326.02	5.59	-53.32
C1=CC=C(N2N=NN=C2CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222948	1	40	0.0	-62.32	325.55	5.61	-56.71
C1=CC=C(N2N=NN=C2CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222948	1	40	0.0	-58.90	325.94	5.57	-53.33
C1=CC=C(N2N=NN=C2CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222948	1	40	0.0	-62.30	325.47	5.60	-56.70
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222949	0	55	0.0	-53.84	406.41	5.67	-48.17
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222949	1	55	0.0	-58.96	402.99	5.60	-53.36
CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222949	1	54	-1.0	-50.75	401.90	3.26	-47.49
CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222949	1	54	-1.0	-50.82	401.98	3.27	-47.55
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1CCN(C(=O)C2CCCCC2)CC1	REAL300020222950	0	58	-1.0	-47.60	431.00	3.23	-44.37
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1CCN(C(=O)C2CCCCC2)CC1	REAL300020222950	1	58	-1.0	-47.68	431.06	3.24	-44.44
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCN(C(=O)C2CCCCC2)CC1	REAL300020222950	1	59	0.0	-52.83	435.98	5.86	-46.97
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCN(C(=O)C2CCCCC2)CC1	REAL300020222950	1	59	0.0	-55.33	435.61	5.86	-49.47
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(N2CCOCC2)C(F)=C1	REAL300020222951	0	51	-1.0	-45.75	406.11	0.65	-45.10
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(N2CCOCC2)C(F)=C1	REAL300020222951	1	51	-1.0	-45.77	406.18	0.67	-45.10
CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C(=O)N1CCCCC1	REAL300020222952	0	48	-1.0	-45.35	366.95	0.75	-44.60
CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C(=O)N1CCCCC1	REAL300020222952	1	48	-1.0	-45.33	367.01	0.77	-44.56
CC1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C1	REAL300020222953	0	59	0.0	-55.07	432.55	6.92	-48.15
CC1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C1	REAL300020222953	1	59	0.0	-57.43	430.99	6.84	-50.59
CC1CCCN(C(=O)C2CCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C1	REAL300020222953	1	58	-1.0	-51.92	429.53	4.59	-47.33
CC1CCCN(C(=O)C2CCN(C(=O)CN3CCC(C4=NN=N[N-]4)C3)CC2)C1	REAL300020222953	1	58	-1.0	-51.94	429.60	4.59	-47.35
CC1=CC=CC(N(CCC#N)C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020222954	0	48	-1.0	-48.79	385.99	6.10	-42.69
CC1=CC=CC(N(CCC#N)C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222954	1	48	-1.0	-48.81	386.06	6.11	-42.70
CC1=CC=CC(N(CCC#N)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222954	1	49	0.0	-56.08	392.32	8.80	-47.28
CC1=CC=CC(N(CCC#N)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020222954	1	49	0.0	-59.76	391.36	8.81	-50.95
CS(=O)(=O)C1=CC=C(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222955	0	42	0.0	-58.34	345.69	1.06	-57.28
CS(=O)(=O)C1=CC=C(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222955	1	42	0.0	-60.02	344.50	1.24	-58.78
O=[N+]([O-])C1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222956	0	38	0.0	-57.41	307.57	6.63	-50.78
O=[N+]([O-])C1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222956	1	38	0.0	-61.52	313.35	6.70	-54.82
CC1=C(C)C=C2C(=C1)N=CN2CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222957	0	48	0.0	-61.82	371.89	6.26	-55.56
CC1=C(C)C=C2C(=C1)N=CN2CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222957	1	48	0.0	-59.19	373.18	6.37	-52.82
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC=C1CN1CCCC1=O	REAL300020222958	0	52	-1.0	-53.23	413.20	4.14	-49.09
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC=C1CN1CCCC1=O	REAL300020222958	1	52	-1.0	-53.23	413.27	4.14	-49.09
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(N2CCCC2=O)C=C1	REAL300020222959	0	49	-1.0	-50.97	391.26	2.86	-48.11
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(N2CCCC2=O)C=C1	REAL300020222959	1	49	-1.0	-50.98	391.34	2.87	-48.11
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1CCN(C2=CC=CC=C2)C1	REAL300020222960	0	50	-1.0	-45.96	387.17	1.84	-44.12
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1CCN(C2=CC=CC=C2)C1	REAL300020222960	1	50	-1.0	-45.98	387.24	1.85	-44.13
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCCN1CCCCCC1=O	REAL300020222961	0	51	-1.0	-50.77	390.67	1.73	-49.04
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCN1CCCCCC1=O	REAL300020222961	1	52	0.0	-56.32	395.44	4.38	-51.94
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCN1CCCCCC1=O	REAL300020222961	1	52	0.0	-54.64	395.28	4.36	-50.28
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCCN1CCCCCC1=O	REAL300020222961	1	51	-1.0	-50.78	390.74	1.75	-49.03
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)N2CCCCCC2)CC1	REAL300020222962	0	59	0.0	-53.71	424.44	7.25	-46.46
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)N2CCCCCC2)CC1	REAL300020222962	1	59	0.0	-57.04	426.28	7.24	-49.80
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCC(C(=O)N2CCCCCC2)CC1	REAL300020222962	1	58	-1.0	-52.55	424.08	4.97	-47.58
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)N2CCCCCC2)CC1	REAL300020222962	1	58	-1.0	-52.58	424.15	4.98	-47.60
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)N2CCCC2)CC1	REAL300020222963	0	53	0.0	-53.83	398.45	5.60	-48.23
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)N2CCCC2)CC1	REAL300020222963	1	53	0.0	-57.36	397.79	5.53	-51.83
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCC(C(=O)N2CCCC2)CC1	REAL300020222963	1	52	-1.0	-52.76	395.62	3.23	-49.53
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCC(C(=O)N2CCCC2)CC1	REAL300020222963	1	52	-1.0	-52.77	395.69	3.23	-49.54
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)C2CC2)CC1	REAL300020222964	0	47	0.0	-55.99	360.71	4.71	-51.28
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)C2CC2)CC1	REAL300020222964	1	47	0.0	-55.76	360.84	4.74	-51.02
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(C(=O)C2CC2)CC1	REAL300020222964	1	46	-1.0	-50.41	355.44	2.03	-48.38
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)C2CC2)CC1	REAL300020222964	1	46	-1.0	-50.38	355.51	2.04	-48.34
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CC=C1)C1CC1	REAL300020222965	0	46	0.0	-47.89	356.91	7.52	-40.37
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CC=C1)C1CC1	REAL300020222965	1	46	0.0	-49.81	354.99	7.61	-42.20
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(CC1=CC=CC=C1)C1CC1	REAL300020222965	1	45	-1.0	-40.71	349.92	4.97	-35.74
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=CC=C1)C1CC1	REAL300020222965	1	45	-1.0	-40.73	349.99	4.98	-35.75
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222966	0	45	0.0	-43.88	373.41	7.87	-36.01
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222966	1	45	0.0	-44.86	372.78	7.94	-36.92
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020222966	1	44	-1.0	-39.88	372.64	5.70	-34.18
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020222966	1	44	-1.0	-39.88	372.71	5.70	-34.18
FC(F)(F)C1=CC=C(N2N=NN=C2CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222967	0	39	-1.0	-38.61	341.26	3.92	-34.69
FC(F)(F)C1=CC=C(N2N=NN=C2CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222967	1	39	-1.0	-38.65	341.33	3.93	-34.72
FC(F)(F)C1=CC=CC(OCCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222968	0	45	0.0	-50.96	370.52	7.75	-43.21
FC(F)(F)C1=CC=CC(OCCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222968	1	45	0.0	-53.68	370.87	7.86	-45.82
FC(F)(F)C1=CC=CC(OCCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222968	1	45	0.0	-50.92	370.45	7.74	-43.18
FC(F)(F)C1=CC=CC(OCCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222968	1	45	0.0	-53.63	370.80	7.85	-45.78
FC(F)(F)COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222969	0	39	0.0	-50.82	328.18	6.31	-44.51
FC(F)(F)COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222969	1	39	0.0	-51.21	327.10	6.22	-44.99
FC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020222970	0	31	-1.0	-40.86	273.73	3.28	-37.58
FC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020222970	1	32	0.0	-53.72	284.91	6.19	-47.53
FC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020222970	1	32	0.0	-53.73	285.04	6.21	-47.52
FC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020222970	1	31	-1.0	-40.82	273.80	3.29	-37.53
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1	REAL300020222971	0	43	0.0	-57.46	347.00	6.16	-51.30
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1	REAL300020222971	1	43	0.0	-59.62	345.98	6.23	-53.39
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCC2=C(C=CS2)C1	REAL300020222971	1	43	0.0	-57.42	346.93	6.15	-51.27
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCC2=C(C=CS2)C1	REAL300020222971	1	43	0.0	-59.53	345.90	6.21	-53.32
O=C(C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1)N1CCCCC1	REAL300020222972	0	49	0.0	-50.56	372.47	7.51	-43.05
O=C(C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1)N1CCCCC1	REAL300020222972	1	49	0.0	-55.23	373.96	7.51	-47.72
CC(C)CCOCCNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020222973	0	47	-1.0	-44.45	368.17	0.65	-43.80
CC(C)CCOCCNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020222973	1	47	-1.0	-44.46	368.23	0.67	-43.79
O=C(NCC1=CC=CO1)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222974	0	46	0.0	-53.49	376.61	5.79	-47.70
O=C(NCC1=CC=CO1)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222974	1	46	0.0	-51.05	374.05	5.81	-45.24
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1CCOC2=CC=CC=C21	REAL300020222975	0	43	-1.0	-46.08	336.66	1.35	-44.73
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1CCOC2=CC=CC=C21	REAL300020222975	1	43	-1.0	-46.08	336.73	1.36	-44.72
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC(=O)N1CCCC1	REAL300020222976	0	42	-1.0	-46.29	336.82	-0.43	-46.72
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC(=O)N1CCCC1	REAL300020222976	1	42	-1.0	-46.31	336.89	-0.43	-46.74
ClC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020222977	0	37	0.0	-45.25	306.96	7.00	-38.25
ClC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020222977	1	37	0.0	-47.80	313.57	6.55	-41.25
ClC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C2C=C1	REAL300020222978	0	37	0.0	-38.31	308.24	6.81	-31.50
ClC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C2C=C1	REAL300020222978	1	37	0.0	-39.16	307.01	6.96	-32.20
ClC1=CC2=CC=CN=C2C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222979	0	37	0.0	-41.88	314.98	6.80	-35.08
ClC1=CC2=CC=CN=C2C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222979	1	37	0.0	-44.71	315.77	6.64	-38.07
CC(C1=NN=NN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222980	0	39	-1.0	-46.71	318.76	2.48	-44.23
CC(C1=NN=NN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222980	1	39	-1.0	-46.72	318.84	2.49	-44.23
CC(C1=NN=NN1C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222980	1	40	0.0	-57.06	319.94	4.75	-52.31
CC(C1=NN=NN1C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222980	1	40	0.0	-48.30	320.94	4.89	-43.41
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020222981	0	39	0.0	-47.14	311.47	4.02	-43.12
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020222981	1	39	0.0	-46.95	310.43	3.95	-43.00
CC(C1=CC=C(Cl)C(Cl)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222982	0	35	0.0	-49.36	305.77	7.22	-42.14
CC(C1=CC=C(Cl)C(Cl)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222982	1	35	0.0	-51.84	305.40	7.17	-44.67
CC(C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222982	1	34	-1.0	-39.33	293.32	4.07	-35.26
CC(C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222982	1	34	-1.0	-39.32	293.39	4.09	-35.23
CC(C1=CC=C(Cl)C=C1Cl)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222983	0	35	0.0	-46.01	302.27	7.02	-38.99
CC(C1=CC=C(Cl)C=C1Cl)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222983	1	35	0.0	-45.83	300.35	6.94	-38.89
CC(C1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020222983	1	34	-1.0	-35.28	289.16	3.83	-31.45
CC(C1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020222983	1	34	-1.0	-35.26	289.23	3.84	-31.42
CN1C=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=N1	REAL300020222984	0	37	-1.0	-42.98	318.43	1.62	-41.36
CN1C=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=N1	REAL300020222984	1	38	0.0	-50.13	327.18	4.18	-45.95
CN1C=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=N1	REAL300020222984	1	38	0.0	-48.01	327.79	4.32	-43.69
CN1C=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=N1	REAL300020222984	1	37	-1.0	-42.96	318.50	1.64	-41.32
FC(F)OC1=CC=C(N2N=NN=C2CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222985	0	40	-1.0	-41.32	341.78	2.50	-38.82
FC(F)OC1=CC=C(N2N=NN=C2CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222985	1	40	-1.0	-41.30	341.85	2.51	-38.79
CS(=O)(=O)C1=CC=C(N2N=NN=C2CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020222986	0	42	-1.0	-56.77	353.93	-0.80	-57.57
CS(=O)(=O)C1=CC=C(N2N=NN=C2CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020222986	1	42	-1.0	-56.76	354.00	-0.79	-57.55
FC(F)(F)C1=CC(Cl)=CC=C1N1N=NN=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020222987	0	39	-1.0	-40.20	354.12	4.40	-35.80
FC(F)(F)C1=CC(Cl)=CC=C1N1N=NN=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020222987	1	39	-1.0	-40.21	354.18	4.41	-35.80
CC1=CC=CC(C)=C1N1N=NN=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020222988	0	42	-1.0	-40.25	346.48	4.03	-36.22
CC1=CC=CC(C)=C1N1N=NN=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020222988	1	42	-1.0	-40.29	346.55	4.04	-36.25
BrC1=CSC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020222989	0	33	-1.0	-44.13	313.67	1.45	-42.68
BrC1=CSC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020222989	1	33	-1.0	-44.18	313.74	1.47	-42.71
CN(C)C(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222990	0	42	0.0	-55.31	327.38	5.23	-50.08
CN(C)C(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222990	1	42	0.0	-51.80	326.30	5.39	-46.41
C1=CC2=CC=CC(OCCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020222991	0	45	0.0	-50.67	355.17	8.31	-42.36
C1=CC2=CC=CC(OCCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020222991	1	45	0.0	-50.61	354.91	8.29	-42.32
C1=CC2=CC=CC(OCCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020222991	1	45	0.0	-50.65	355.10	8.30	-42.35
C1=CC2=CC=CC(OCCC[N@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020222991	1	45	0.0	-50.60	354.85	8.28	-42.32
COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1OC	REAL300020222992	0	40	0.0	-51.16	337.32	5.53	-45.63
COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1OC	REAL300020222992	1	40	0.0	-45.88	336.85	5.55	-40.33
COC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(Br)=C1OC	REAL300020222992	1	39	-1.0	-39.52	336.33	2.98	-36.54
COC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(Br)=C1OC	REAL300020222992	1	39	-1.0	-39.52	336.39	2.99	-36.53
FC(F)(F)COC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222993	0	39	0.0	-49.04	329.40	6.24	-42.80
FC(F)(F)COC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222993	1	39	0.0	-48.16	326.36	6.23	-41.93
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC=N2)CC1	REAL300020222994	0	50	0.0	-58.81	383.53	5.30	-53.51
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC=N2)CC1	REAL300020222994	1	50	0.0	-59.00	383.48	5.29	-53.71
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=CC=N2)CC1	REAL300020222994	1	50	0.0	-58.78	383.46	5.29	-53.49
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=CC=N2)CC1	REAL300020222994	1	50	0.0	-58.97	383.40	5.27	-53.70
CC(C1=CC=CC=C1Br)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222995	0	35	0.0	-41.50	285.87	6.51	-34.99
CC(C1=CC=CC=C1Br)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222995	1	35	0.0	-39.13	288.87	6.57	-32.56
ClC1=CC=C(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)C(Cl)=C1	REAL300020222996	0	36	-1.0	-47.56	330.84	0.38	-47.18
ClC1=CC=C(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)C(Cl)=C1	REAL300020222996	1	36	-1.0	-47.55	330.91	0.40	-47.15
CC(C)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C(C)C)=C1	REAL300020222997	0	50	0.0	-43.43	371.80	9.39	-34.04
CC(C)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C(C)C)=C1	REAL300020222997	1	50	0.0	-43.85	373.37	9.34	-34.51
CC(C)C1=CC=C(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C(C(C)C)=C1	REAL300020222997	1	50	0.0	-43.38	371.73	9.38	-34.00
CC(C)C1=CC=C(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C(C(C)C)=C1	REAL300020222997	1	50	0.0	-43.78	373.31	9.33	-34.45
CC(C1=CC=C(OC(F)(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222998	0	39	0.0	-46.72	318.65	5.99	-40.73
CC(C1=CC=C(OC(F)(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020222998	1	39	0.0	-46.37	320.43	6.10	-40.27
CC(C)(C)OC(=O)N1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222999	0	53	0.0	-52.37	397.85	5.04	-47.33
CC(C)(C)OC(=O)N1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222999	1	53	0.0	-52.32	398.01	5.09	-47.23
CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020222999	1	52	-1.0	-46.30	395.06	2.70	-43.60
CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020222999	1	52	-1.0	-46.27	395.13	2.71	-43.56
N#CCCN(CCC#N)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223000	0	39	-1.0	-54.24	331.92	2.49	-51.75
N#CCCN(CCC#N)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223000	1	39	-1.0	-54.25	331.98	2.51	-51.74
CC1=CC(N(CCC#N)C(=O)CN2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020223001	0	45	-1.0	-44.10	387.57	5.87	-38.23
CC1=CC(N(CCC#N)C(=O)CN2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020223001	1	45	-1.0	-44.10	387.65	5.88	-38.22
CC1=CC=C(N(CCC#N)C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020223002	0	48	-1.0	-44.60	390.51	5.99	-38.61
CC1=CC=C(N(CCC#N)C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223002	1	48	-1.0	-44.60	390.58	6.00	-38.60
CC1=CC=C(N(CCC#N)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223002	1	49	0.0	-59.14	391.58	8.26	-50.88
CC1=CC=C(N(CCC#N)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223002	1	49	0.0	-56.19	392.27	8.34	-47.85
CC1=CC=C(C2=NOC(CCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1F	REAL300020223003	0	46	0.0	-56.17	379.33	6.51	-49.66
CC1=CC=C(C2=NOC(CCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1F	REAL300020223003	1	46	0.0	-54.65	379.56	6.52	-48.13
CC1=CC=C(C2=NOC(CCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)=N2)C=C1F	REAL300020223003	1	46	0.0	-56.11	379.27	6.50	-49.61
CC1=CC=C(C2=NOC(CCC[N@H+]3CCC(C4=N[N-]N=N4)C3)=N2)C=C1F	REAL300020223003	1	46	0.0	-54.64	379.49	6.51	-48.13
CC1=CC(C)=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020223004	0	44	-1.0	-41.06	367.14	4.49	-36.57
CC1=CC(C)=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223004	1	44	-1.0	-41.07	367.22	4.50	-36.57
CC(C(=O)N1CCC2=C(C=CS2)C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223005	0	43	0.0	-44.33	336.65	5.80	-38.53
CC(C(=O)N1CCC2=C(C=CS2)C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223005	1	43	0.0	-53.20	335.40	5.79	-47.41
CC(C(=O)N1CCC2=C(C=CS2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223005	1	42	-1.0	-40.41	338.88	3.63	-36.78
CC(C(=O)N1CCC2=C(C=CS2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223005	1	42	-1.0	-40.45	338.95	3.64	-36.81
CC1(C)NC(=O)N(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020223006	0	43	0.0	-49.55	343.47	2.68	-46.87
CC1(C)NC(=O)N(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020223006	1	43	0.0	-51.09	342.82	2.73	-48.36
CC1(C)NC(=O)N(CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020223006	1	43	0.0	-49.52	343.40	2.67	-46.85
CC1(C)NC(=O)N(CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020223006	1	43	0.0	-51.08	342.75	2.73	-48.35
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1(C2=CC=CC=C2)CCOCC1	REAL300020223007	0	52	-1.0	-40.57	393.08	2.93	-37.64
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1(C2=CC=CC=C2)CCOCC1	REAL300020223007	1	52	-1.0	-40.56	393.15	2.94	-37.62
CC(C)CCC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020223008	0	42	-1.0	-39.14	337.63	3.58	-35.56
CC(C)CCC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223008	1	42	-1.0	-39.14	337.70	3.60	-35.54
CC(C)CCC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223008	1	43	0.0	-44.79	346.42	6.13	-38.66
CC(C)CCC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223008	1	43	0.0	-43.97	347.93	6.32	-37.65
C1=CC2=CC=CC(OCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020223009	0	42	0.0	-49.73	330.81	7.83	-41.90
C1=CC2=CC=CC(OCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020223009	1	42	0.0	-51.26	332.37	7.62	-43.64
BrC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223010	0	38	0.0	-51.44	337.27	4.67	-46.77
BrC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223010	1	38	0.0	-46.52	337.31	4.72	-41.80
BrC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)C=C1	REAL300020223010	1	37	-1.0	-40.84	327.44	2.19	-38.65
BrC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223010	1	37	-1.0	-40.83	327.51	2.20	-38.63
COC(=O)C1=CC=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223011	0	42	0.0	-54.93	339.64	6.22	-48.71
COC(=O)C1=CC=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223011	1	42	0.0	-57.45	342.12	5.95	-51.50
COC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C(OC)=C1	REAL300020223012	0	45	-1.0	-44.41	369.36	2.52	-41.89
COC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C(OC)=C1	REAL300020223012	1	46	0.0	-45.47	379.52	5.32	-40.15
COC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C(OC)=C1	REAL300020223012	1	46	0.0	-46.34	377.96	5.58	-40.76
COC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C(OC)=C1	REAL300020223012	1	45	-1.0	-44.43	369.43	2.53	-41.90
C1=C(CN2CCC(C3=N[N-]N=N3)C2)N=C(C2CCCC2)S1	REAL300020223013	0	40	-1.0	-39.60	319.36	3.15	-36.45
C1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2CCCC2)S1	REAL300020223013	1	40	-1.0	-39.64	319.42	3.17	-36.47
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2CCCC2)S1	REAL300020223013	1	41	0.0	-44.70	328.20	5.86	-38.84
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2CCCC2)S1	REAL300020223013	1	41	0.0	-42.82	328.81	6.02	-36.80
O=[N+]([O-])C1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223014	0	38	0.0	-59.09	313.09	6.13	-52.96
O=[N+]([O-])C1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223014	1	38	0.0	-57.90	316.35	6.04	-51.86
ClC1=CC=CC(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223015	0	39	0.0	-48.94	326.68	6.50	-42.44
ClC1=CC=CC(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223015	1	39	0.0	-51.54	326.64	6.54	-45.00
ClC1=CC=CC(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223015	1	39	0.0	-48.91	326.61	6.48	-42.43
ClC1=CC=CC(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223015	1	39	0.0	-51.56	326.57	6.53	-45.03
FC1=CC=C(Br)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223016	0	31	-1.0	-38.43	271.87	3.19	-35.24
FC1=CC=C(Br)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223016	1	31	-1.0	-38.44	271.94	3.21	-35.23
FC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223016	1	32	0.0	-43.31	279.22	6.01	-37.30
FC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223016	1	32	0.0	-43.98	285.74	6.33	-37.65
BrC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020223017	0	29	0.0	-42.14	261.92	5.10	-37.04
BrC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020223017	1	29	0.0	-42.93	268.26	5.25	-37.68
BrC1=C(CN2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020223017	1	28	-1.0	-37.59	258.70	2.64	-34.95
BrC1=C(CN2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020223017	1	28	-1.0	-37.56	258.77	2.65	-34.91
FC(F)(F)C1=CC=CC=C1OCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223018	0	45	0.0	-51.23	368.94	7.83	-43.40
FC(F)(F)C1=CC=CC=C1OCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223018	1	45	0.0	-53.70	369.38	7.86	-45.84
FC(F)(F)C1=CC=CC=C1OCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223018	1	45	0.0	-51.16	368.88	7.82	-43.34
FC(F)(F)C1=CC=CC=C1OCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223018	1	45	0.0	-53.65	369.32	7.84	-45.81
N#CC1=CC=CC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223019	0	39	-1.0	-47.31	332.92	1.90	-45.41
N#CC1=CC=CC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223019	1	39	-1.0	-47.35	332.98	1.92	-45.43
N#CC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223020	0	39	-1.0	-46.94	334.62	2.12	-44.82
N#CC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223020	1	39	-1.0	-46.96	334.69	2.13	-44.83
FC(F)OC1=CC=C(Br)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223021	0	35	-1.0	-40.32	315.79	3.32	-37.00
FC(F)OC1=CC=C(Br)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223021	1	35	-1.0	-40.33	315.86	3.34	-36.99
FC(F)OC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223021	1	36	0.0	-47.46	316.91	5.92	-41.54
FC(F)OC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223021	1	36	0.0	-46.02	315.96	5.85	-40.17
FC(F)(F)C1=CC=CC(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223022	0	42	0.0	-52.00	349.00	6.99	-45.01
FC(F)(F)C1=CC=CC(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223022	1	42	0.0	-52.86	348.63	7.02	-45.84
FC(F)(F)C1=CC=CC(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223022	1	42	0.0	-51.94	348.93	6.97	-44.97
FC(F)(F)C1=CC=CC(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223022	1	42	0.0	-52.80	348.56	7.02	-45.78
ClC1=CC(Br)=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223023	0	31	-1.0	-39.22	292.16	4.39	-34.83
ClC1=CC(Br)=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223023	1	31	-1.0	-39.25	292.24	4.39	-34.86
ClC1=CC(Br)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223023	1	32	0.0	-47.47	290.52	6.65	-40.82
ClC1=CC(Br)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223023	1	32	0.0	-48.52	293.32	6.68	-41.84
C1=CC(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020223024	0	42	0.0	-54.08	336.01	4.63	-49.45
C1=CC(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020223024	1	42	0.0	-54.99	335.98	4.67	-50.32
C1=CC(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=CC2=C1OCO2	REAL300020223024	1	42	0.0	-54.00	335.95	4.61	-49.39
C1=CC(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=CC2=C1OCO2	REAL300020223024	1	42	0.0	-54.92	335.91	4.66	-50.26
CS(=O)(=O)C1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223025	0	45	0.0	-58.53	371.05	3.50	-55.03
CS(=O)(=O)C1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223025	1	45	0.0	-58.18	370.64	3.47	-54.71
CS(=O)(=O)C1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223025	1	45	0.0	-58.49	370.98	3.49	-55.00
CS(=O)(=O)C1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223025	1	45	0.0	-58.15	370.57	3.46	-54.69
FC(F)(F)C1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223026	0	39	0.0	-50.53	320.42	6.51	-44.02
FC(F)(F)C1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223026	1	39	0.0	-53.71	324.81	6.38	-47.33
C1=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)=CS1	REAL300020223027	0	34	-1.0	-39.89	304.81	2.76	-37.13
C1=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=CS1	REAL300020223027	1	35	0.0	-46.62	313.55	5.31	-41.31
C1=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=CS1	REAL300020223027	1	35	0.0	-44.57	314.16	5.48	-39.09
C1=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)=CS1	REAL300020223027	1	34	-1.0	-39.93	304.89	2.77	-37.16
CN(C)S(=O)(=O)C1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020223028	0	39	-1.0	-49.65	328.07	-1.15	-50.80
CN(C)S(=O)(=O)C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223028	1	39	-1.0	-49.61	328.14	-1.13	-50.74
BrC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC2=C1OCO2	REAL300020223029	0	34	-1.0	-38.26	302.86	2.28	-35.98
BrC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020223029	1	35	0.0	-53.19	305.24	4.82	-48.37
BrC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020223029	1	35	0.0	-52.70	304.53	4.89	-47.81
BrC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020223029	1	34	-1.0	-38.33	302.93	2.30	-36.03
COC1=CC=CC(OC)=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223030	0	48	0.0	-49.87	382.88	2.87	-47.00
COC1=CC=CC(OC)=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223030	1	48	0.0	-50.75	382.27	2.81	-47.94
OC(COC1=CC=CC(C(F)(F)F)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223031	0	43	0.0	-54.75	356.41	4.17	-50.58
OC(COC1=CC=CC(C(F)(F)F)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223031	1	43	0.0	-55.25	354.71	4.31	-50.94
FC1=CC=CC(N2C=CC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020223032	0	38	-1.0	-42.54	314.61	3.85	-38.69
FC1=CC=CC(N2C=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020223032	1	39	0.0	-46.64	324.91	6.78	-39.86
FC1=CC=CC(N2C=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020223032	1	39	0.0	-49.63	323.13	6.95	-42.68
FC1=CC=CC(N2C=CC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020223032	1	38	-1.0	-42.55	314.68	3.86	-38.69
CC(C)OC(=O)CC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020223033	0	42	-1.0	-43.31	360.71	3.13	-40.18
CC(C)OC(=O)CC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223033	1	42	-1.0	-43.31	360.77	3.14	-40.17
CC(C)OC(=O)CC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223033	1	43	0.0	-44.08	363.38	5.67	-38.41
CC(C)OC(=O)CC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223033	1	43	0.0	-46.40	363.61	5.85	-40.55
O=S(=O)(NCCN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223034	0	39	-1.0	-44.58	330.56	-0.69	-45.27
O=S(=O)(NCCN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223034	1	39	-1.0	-44.57	330.62	-0.68	-45.25
O=S(=O)(NCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223034	1	40	0.0	-57.53	335.50	2.05	-55.48
O=S(=O)(NCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223034	1	40	0.0	-57.14	334.70	1.97	-55.17
O=S(=O)(CCN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223035	0	37	-1.0	-44.00	315.82	0.94	-43.06
O=S(=O)(CCN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223035	1	37	-1.0	-44.01	315.89	0.95	-43.06
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=C(C=C2)OCO3)S1	REAL300020223036	0	41	0.0	-50.34	348.57	5.05	-45.29
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=C(C=C2)OCO3)S1	REAL300020223036	1	41	0.0	-48.86	349.17	5.21	-43.65
C1=C(CN2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC3=C(C=C2)OCO3)S1	REAL300020223036	1	40	-1.0	-42.01	339.81	2.49	-39.52
C1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=C(C=C2)OCO3)S1	REAL300020223036	1	40	-1.0	-42.02	339.88	2.50	-39.52
CC(C(=O)N1CCCC(C(N)=O)C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223037	0	46	0.0	-58.95	348.18	1.26	-57.69
CC(C(=O)N1CCCC(C(N)=O)C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223037	1	46	0.0	-53.16	348.16	1.25	-51.91
CC(C(=O)N1CCCC(C(N)=O)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223037	1	45	-1.0	-59.34	335.25	-1.51	-60.85
CC(C(=O)N1CCCC(C(N)=O)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223037	1	45	-1.0	-59.32	335.32	-1.50	-60.82
ClC1=CN2C=C(CN3CCC(C4=N[N-]N=N4)C3)N=C2C(Cl)=C1	REAL300020223038	0	34	-1.0	-40.81	317.22	4.50	-36.31
ClC1=CN2C=C(CN3CCC(C4=NN=N[N-]4)C3)N=C2C(Cl)=C1	REAL300020223038	1	34	-1.0	-40.86	317.29	4.51	-36.35
COC1=CC=CC(S(=O)(=O)CCN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223039	0	41	-1.0	-48.81	344.60	0.05	-48.76
COC1=CC=CC(S(=O)(=O)CCN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223039	1	41	-1.0	-48.80	344.67	0.06	-48.74
ClC1=CC=CC(Cl)=C1C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020223040	0	36	-1.0	-43.41	333.34	0.51	-42.90
ClC1=CC=CC(Cl)=C1C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223040	1	36	-1.0	-43.41	333.41	0.52	-42.89
C1=CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=CC2=C1OCO2	REAL300020223041	0	39	-1.0	-42.19	333.46	0.62	-41.57
C1=CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=CC2=C1OCO2	REAL300020223041	1	39	-1.0	-42.25	333.53	0.62	-41.63
C[N@@H+](CC1=CC=CC=C1)CC(O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223042	0	47	0.0	-61.65	357.49	3.09	-58.56
C[N@H+](CC1=CC=CC=C1)CC(O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223042	1	47	0.0	-59.21	361.07	2.65	-56.56
CN(CC1=CC=CC=C1)CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223042	1	47	0.0	-48.53	360.86	3.04	-45.49
CN(CC1=CC=CC=C1)CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223042	1	47	0.0	-48.70	359.19	3.24	-45.46
C[N@@H+](CC1=CC=CC=C1)CC(O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223042	1	47	0.0	-61.66	357.57	3.11	-58.55
C[N@H+](CC1=CC=CC=C1)CC(O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223042	1	47	0.0	-59.24	361.14	2.65	-56.59
CC(C)N1N=CC2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020223043	0	43	0.0	-55.06	345.02	6.23	-48.83
CC(C)N1N=CC2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020223043	1	43	0.0	-55.53	343.19	6.21	-49.32
CC(C)CNC(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223044	0	48	0.0	-48.56	376.41	6.18	-42.38
CC(C)CNC(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223044	1	48	0.0	-49.95	373.76	6.17	-43.78
FC1=CC=CC=C1C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020223045	0	37	-1.0	-43.91	317.34	3.64	-40.27
FC1=CC=CC=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223045	1	38	0.0	-45.22	328.31	6.69	-38.53
FC1=CC=CC=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223045	1	38	0.0	-47.17	326.74	6.95	-40.22
FC1=CC=CC=C1C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223045	1	37	-1.0	-43.92	317.40	3.65	-40.27
CN(CC1=CN(C)N=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223046	0	41	-1.0	-52.20	332.97	1.40	-50.80
CN(CC1=CN(C)N=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223046	1	42	0.0	-50.84	337.77	4.05	-46.79
CN(CC1=CN(C)N=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223046	1	42	0.0	-50.75	337.63	4.04	-46.71
CN(CC1=CN(C)N=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223046	1	41	-1.0	-52.19	333.03	1.42	-50.77
C1=CC2=CC=C(OCCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020223047	0	45	0.0	-51.11	355.96	8.27	-42.84
C1=CC2=CC=C(OCCC[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020223047	1	45	0.0	-52.05	355.93	8.30	-43.75
C1=CC2=CC=C(OCCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020223047	1	45	0.0	-51.06	355.89	8.25	-42.81
C1=CC2=CC=C(OCCC[N@H+]3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020223047	1	45	0.0	-52.01	355.86	8.30	-43.71
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(F)=C1	REAL300020223048	0	39	0.0	-56.29	319.95	4.73	-51.56
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(F)=C1	REAL300020223048	1	39	0.0	-57.67	320.24	4.68	-52.99
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(F)=C1	REAL300020223048	1	39	0.0	-56.22	319.88	4.71	-51.51
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(F)=C1	REAL300020223048	1	39	0.0	-57.63	320.17	4.67	-52.96
BrC1=CC=CC=C1N1N=NN=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223049	0	36	-1.0	-41.13	322.06	3.58	-37.55
BrC1=CC=CC=C1N1N=NN=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223049	1	36	-1.0	-41.14	322.13	3.60	-37.54
CS(=O)(=O)C1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020223050	0	43	-1.0	-47.05	381.90	1.36	-45.69
CS(=O)(=O)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223050	1	44	0.0	-52.56	384.59	3.91	-48.65
CS(=O)(=O)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223050	1	44	0.0	-55.40	384.73	4.11	-51.29
CS(=O)(=O)C1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223050	1	43	-1.0	-47.02	381.96	1.38	-45.64
ClC1=CC=CC=C1SCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223051	0	39	0.0	-50.92	335.72	8.06	-42.86
ClC1=CC=CC=C1SCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223051	1	39	0.0	-51.03	335.21	8.05	-42.98
ClC1=CC=CC=C1SCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223051	1	39	0.0	-50.88	335.66	8.05	-42.83
ClC1=CC=CC=C1SCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223051	1	39	0.0	-50.98	335.15	8.03	-42.95
COCCS(=O)(=O)CCCN1CCC(C2=N[N-]N=N2)C1	REAL300020223052	0	40	-1.0	-49.50	334.69	-1.77	-51.27
COCCS(=O)(=O)CCCN1CCC(C2=NN=N[N-]2)C1	REAL300020223052	1	40	-1.0	-49.55	334.76	-1.75	-51.30
COCCS(=O)(=O)CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223052	1	41	0.0	-59.20	338.36	0.93	-58.27
COCCS(=O)(=O)CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223052	1	41	0.0	-59.52	339.55	0.98	-58.54
CC(=O)N(C)C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020223053	0	37	-1.0	-43.40	314.89	1.82	-41.58
CC(=O)N(C)C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223053	1	37	-1.0	-43.40	314.96	1.84	-41.56
CC(C1=CC=C(C(F)(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223054	0	38	0.0	-51.38	312.23	7.19	-44.19
CC(C1=CC=C(C(F)(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223054	1	38	0.0	-47.99	313.13	7.31	-40.68
BrC1=CC=CC(CC2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020223055	0	39	-1.0	-40.57	350.79	3.12	-37.45
BrC1=CC=CC(CC2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020223055	1	39	-1.0	-40.61	350.86	3.12	-37.49
O=C1ON=C(C2=CC=CC=C2)N1CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223056	0	45	0.0	-64.21	363.55	4.78	-59.43
O=C1ON=C(C2=CC=CC=C2)N1CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223056	1	45	0.0	-60.75	358.62	5.27	-55.48
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223057	0	57	0.0	-66.83	417.52	7.27	-59.56
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223057	1	57	0.0	-64.58	417.51	7.05	-57.53
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223057	1	57	0.0	-66.84	417.59	7.27	-59.57
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223057	1	57	0.0	-64.67	417.58	7.07	-57.60
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223057	1	58	1.0	-99.61	418.88	9.53	-90.08
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223057	1	58	1.0	-101.55	419.55	9.57	-91.98
CC1=CC=CC=C1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223057	1	58	1.0	-98.09	410.62	8.89	-89.20
CC1=CC=CC=C1C[NH+]1CCCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223057	1	58	1.0	-93.61	420.77	9.59	-84.02
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCC1CCCCC1	REAL300020223058	0	48	0.0	-55.34	362.42	5.26	-50.08
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NCC1CCCCC1	REAL300020223058	1	48	0.0	-55.36	362.42	5.25	-50.11
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NCC1CCCCC1	REAL300020223058	1	48	0.0	-55.27	362.35	5.26	-50.01
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NCC1CCCCC1	REAL300020223058	1	48	0.0	-55.36	362.35	5.25	-50.11
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1SC	REAL300020223059	0	40	0.0	-49.84	326.90	5.89	-43.95
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1SC	REAL300020223059	1	40	0.0	-50.43	326.08	5.96	-44.47
FC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1F	REAL300020223060	0	38	0.0	-52.66	327.89	4.17	-48.49
FC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1F	REAL300020223060	1	38	0.0	-49.55	328.66	4.23	-45.32
FC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)C=C1F	REAL300020223060	1	37	-1.0	-40.97	318.84	1.69	-39.28
FC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1F	REAL300020223060	1	37	-1.0	-41.00	318.92	1.71	-39.29
C1=CSC(C2=CN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)=C1	REAL300020223061	0	34	-1.0	-40.32	303.84	0.70	-39.62
C1=CSC(C2=CN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)=C1	REAL300020223061	1	34	-1.0	-40.31	303.91	0.71	-39.60
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020223062	0	36	0.0	-50.54	306.28	4.17	-46.37
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020223062	1	36	0.0	-51.59	305.08	4.34	-47.25
CC(C)OC1=CC=C([N+](=O)[O-])C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223063	0	44	0.0	-49.75	348.15	7.32	-42.43
CC(C)OC1=CC=C([N+](=O)[O-])C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223063	1	44	0.0	-49.75	355.40	7.21	-42.54
CC(C)OC1=CC=C([N+](=O)[O-])C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223063	1	43	-1.0	-44.62	352.53	4.65	-39.97
CC(C)OC1=CC=C([N+](=O)[O-])C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223063	1	43	-1.0	-44.62	352.61	4.66	-39.96
CN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300020223064	0	51	-1.0	-41.08	404.90	7.15	-33.93
CN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300020223064	1	52	0.0	-51.85	405.84	9.43	-42.42
CN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300020223064	1	52	0.0	-48.18	407.56	9.58	-38.60
CN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300020223064	1	51	-1.0	-41.07	404.98	7.16	-33.91
CC(OCCCNC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223065	0	51	-1.0	-45.98	408.14	3.14	-42.84
CC(OCCCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223065	1	52	0.0	-47.76	413.50	5.75	-42.01
CC(OCCCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223065	1	52	0.0	-47.67	413.92	5.74	-41.93
CC(OCCCNC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223065	1	51	-1.0	-46.05	408.20	3.15	-42.90
CC1=CC=CC(OCCCNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223066	0	48	-1.0	-46.52	384.94	2.55	-43.97
CC1=CC=CC(OCCCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223066	1	49	0.0	-48.67	390.09	5.18	-43.49
CC1=CC=CC(OCCCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223066	1	49	0.0	-48.63	390.53	5.18	-43.45
CC1=CC=CC(OCCCNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223066	1	48	-1.0	-46.53	385.00	2.57	-43.96
CCOCCOCC1=CC=CC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223067	0	55	-1.0	-47.46	444.46	2.44	-45.02
CCOCCOCC1=CC=CC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223067	1	55	-1.0	-47.41	444.52	2.45	-44.96
CN(CCCNC(=O)CN1CCC(C2=N[N-]N=N2)C1)S(C)(=O)=O	REAL300020223068	0	45	-1.0	-54.09	369.50	-2.74	-56.83
CN(CCCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020223068	1	46	0.0	-57.23	374.66	-0.11	-57.34
CN(CCCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020223068	1	46	0.0	-56.81	375.08	-0.12	-56.93
CN(CCCNC(=O)CN1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020223068	1	45	-1.0	-54.14	369.56	-2.73	-56.87
COC1=CC(OC)=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020223069	0	50	-1.0	-44.11	401.51	-0.10	-44.21
COC1=CC(OC)=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020223069	1	50	-1.0	-44.08	401.58	-0.08	-44.16
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=C(C(F)(F)F)C=C1	REAL300020223070	0	42	-1.0	-41.16	348.10	4.54	-36.62
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(C(F)(F)F)C=C1	REAL300020223070	1	43	0.0	-51.73	350.56	6.78	-44.95
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(C(F)(F)F)C=C1	REAL300020223070	1	43	0.0	-51.51	349.58	6.87	-44.64
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(C(F)(F)F)C=C1	REAL300020223070	1	42	-1.0	-41.14	348.17	4.55	-36.59
COC1=CC=C(COCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223071	0	43	0.0	-45.71	340.52	5.32	-40.39
COC1=CC=C(COCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223071	1	43	0.0	-48.12	343.20	5.16	-42.96
CC(C)C(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223072	0	45	0.0	-45.50	327.96	5.03	-40.47
CC(C)C(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223072	1	45	0.0	-43.98	323.79	5.18	-38.80
CC(C)C(O)(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223072	1	45	0.0	-45.46	327.89	5.03	-40.43
CC(C)C(O)(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223072	1	45	0.0	-43.93	323.72	5.18	-38.75
FC(F)(F)C1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223073	0	39	0.0	-51.62	323.61	6.47	-45.15
FC(F)(F)C1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223073	1	39	0.0	-50.73	326.87	6.38	-44.35
CCCCCOC1=CC=C(Br)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223074	0	47	-1.0	-39.13	392.38	6.34	-32.79
CCCCCOC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223074	1	48	0.0	-43.39	393.51	8.95	-34.44
CCCCCOC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223074	1	48	0.0	-42.34	392.56	8.87	-33.47
CCCCCOC1=CC=C(Br)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223074	1	47	-1.0	-39.14	392.46	6.35	-32.79
ClC1=CC=CC(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)=C1	REAL300020223075	0	36	-1.0	-40.72	325.31	-0.42	-41.14
ClC1=CC=CC(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)=C1	REAL300020223075	1	36	-1.0	-40.77	325.38	-0.41	-41.18
C1=CC=C(C2=NN(CCCCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020223076	0	49	0.0	-55.30	395.72	7.61	-47.69
C1=CC=C(C2=NN(CCCCC[N@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020223076	1	49	0.0	-55.25	395.26	7.63	-47.62
C1=CC=C(C2=NN(CCCCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020223076	1	49	0.0	-55.27	395.65	7.60	-47.67
C1=CC=C(C2=NN(CCCCC[N@H+]3CCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020223076	1	49	0.0	-55.21	395.19	7.62	-47.59
FC1=CC=C(Br)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223077	0	31	-1.0	-37.76	266.63	2.99	-34.77
FC1=CC=C(Br)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223077	1	32	0.0	-45.60	281.96	6.26	-39.34
FC1=CC=C(Br)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223077	1	32	0.0	-42.50	281.69	6.28	-36.22
FC1=CC=C(Br)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223077	1	31	-1.0	-37.72	266.70	3.01	-34.71
CC(C1=CC=C(Br)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223078	0	35	0.0	-49.15	294.86	6.82	-42.33
CC(C1=CC=C(Br)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223078	1	35	0.0	-45.85	295.69	6.93	-38.92
C1=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)=CO1	REAL300020223079	0	34	-1.0	-41.43	296.90	1.82	-39.61
C1=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=CO1	REAL300020223079	1	35	0.0	-45.60	306.90	4.47	-41.13
C1=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=CO1	REAL300020223079	1	35	0.0	-46.61	305.35	4.73	-41.88
C1=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)=CO1	REAL300020223079	1	34	-1.0	-41.44	296.97	1.83	-39.61
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=CC=C1F	REAL300020223080	0	39	-1.0	-43.40	323.70	3.78	-39.62
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC=C1F	REAL300020223080	1	39	-1.0	-43.42	323.77	3.80	-39.62
O=[N+]([O-])C1=CC(Cl)=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223081	0	33	-1.0	-46.36	293.81	5.09	-41.27
O=[N+]([O-])C1=CC(Cl)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223081	1	34	0.0	-45.69	295.86	6.79	-38.90
O=[N+]([O-])C1=CC(Cl)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223081	1	34	0.0	-48.30	296.06	6.84	-41.46
O=[N+]([O-])C1=CC(Cl)=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223081	1	33	-1.0	-46.36	293.88	5.09	-41.27
CC(C)[NH+]1CCC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223082	0	50	0.0	-66.31	363.88	2.05	-64.26
CC(C)[NH+]1CCC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223082	1	50	0.0	-66.34	363.95	2.06	-64.28
CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223082	1	51	1.0	-85.00	372.70	4.86	-80.14
CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223082	1	51	1.0	-88.67	372.17	4.87	-83.80
CN1C=C(N2CCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)C=N1	REAL300020223083	0	39	-1.0	-46.62	308.25	1.16	-45.46
CN1C=C(N2CCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)C=N1	REAL300020223083	1	39	-1.0	-46.64	308.32	1.18	-45.46
BrC1=CC=C(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)S1	REAL300020223084	0	33	-1.0	-44.08	313.87	1.56	-42.52
BrC1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)S1	REAL300020223084	1	33	-1.0	-44.05	313.94	1.58	-42.47
BrC1=CC=C(CC2=NC(CN3CCC(C4=N[N-]N=N4)C3)=NO2)C=C1	REAL300020223085	0	39	-1.0	-41.92	350.79	3.08	-38.84
BrC1=CC=C(CC2=NC(CN3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020223085	1	39	-1.0	-41.95	350.86	3.08	-38.87
COC(=O)CCCC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020223086	0	41	-1.0	-46.03	347.07	0.84	-45.19
COC(=O)CCCC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020223086	1	41	-1.0	-46.07	347.13	0.86	-45.21
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC(F)=C1	REAL300020223087	0	43	0.0	-44.79	339.81	6.63	-38.16
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC(F)=C1	REAL300020223087	1	43	0.0	-55.47	338.67	6.67	-48.80
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCCN1C1=CC=CC(F)=C1	REAL300020223087	1	42	-1.0	-42.03	337.79	4.25	-37.78
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC(F)=C1	REAL300020223087	1	42	-1.0	-42.00	337.86	4.27	-37.73
ClC1=CC=C(Br)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223088	0	31	-1.0	-37.47	278.32	3.46	-34.01
ClC1=CC=C(Br)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223088	1	31	-1.0	-37.49	278.39	3.48	-34.01
ClC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223088	1	32	0.0	-45.11	293.20	6.72	-38.39
ClC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223088	1	32	0.0	-42.50	292.99	6.74	-35.76
CCOC(=O)C1=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)SC(CC)=C1	REAL300020223089	0	50	-1.0	-46.29	412.49	4.68	-41.61
CCOC(=O)C1=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)SC(CC)=C1	REAL300020223089	1	50	-1.0	-46.33	412.57	4.69	-41.64
COC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223090	0	42	0.0	-60.06	337.07	5.91	-54.15
COC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223090	1	42	0.0	-64.05	342.83	5.99	-58.06
BrC1=CC=C(C2=CN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020223091	0	37	-1.0	-38.88	333.50	2.21	-36.67
BrC1=CC=C(C2=CN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020223091	1	37	-1.0	-38.90	333.57	2.22	-36.68
COC(=O)C1=CC=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)=C1	REAL300020223092	0	43	-1.0	-45.12	368.56	4.48	-40.64
COC(=O)C1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020223092	1	44	0.0	-50.98	377.30	7.04	-43.94
COC(=O)C1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020223092	1	44	0.0	-49.03	378.42	7.16	-41.87
COC(=O)C1=CC=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020223092	1	43	-1.0	-45.09	368.63	4.49	-40.60
CC1=CC=C(N2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223093	0	43	0.0	-48.76	333.26	6.45	-42.31
CC1=CC=C(N2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223093	1	43	0.0	-48.40	332.27	6.55	-41.85
CC1=CC=C(N2CCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)C=C1	REAL300020223093	1	42	-1.0	-42.16	330.78	4.21	-37.95
CC1=CC=C(N2CCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223093	1	42	-1.0	-42.15	330.85	4.23	-37.92
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC=C1	REAL300020223094	0	43	0.0	-53.87	333.66	6.66	-47.21
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC=C1	REAL300020223094	1	43	0.0	-53.98	333.63	6.67	-47.31
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCCN1C1=CC=CC=C1	REAL300020223094	1	42	-1.0	-50.42	329.64	4.24	-46.18
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC=C1	REAL300020223094	1	42	-1.0	-50.44	329.72	4.25	-46.19
ClC1=CC=CC=C1C1=CN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020223095	0	37	-1.0	-40.68	327.50	1.97	-38.71
ClC1=CC=CC=C1C1=CN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223095	1	37	-1.0	-40.71	327.57	1.98	-38.73
CC1=CC=C(F)C(N2CCCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)=C1	REAL300020223096	0	45	-1.0	-51.27	353.45	4.91	-46.36
CC1=CC=C(F)C(N2CCCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020223096	1	45	-1.0	-51.24	353.53	4.92	-46.32
CC1=CC=C(F)C(N2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020223096	1	46	0.0	-43.31	361.05	7.40	-35.91
CC1=CC=C(F)C(N2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020223096	1	46	0.0	-44.19	359.63	7.41	-36.78
O[C@@H](COCC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223097	0	43	0.0	-50.23	343.43	3.64	-46.59
O[C@@H](COCC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223097	1	43	0.0	-50.47	345.35	3.42	-47.05
BrC1=CC=C(C=CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223098	0	39	0.0	-50.00	332.31	8.28	-41.72
BrC1=CC=C(C=CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223098	1	39	0.0	-51.94	333.06	8.41	-43.53
BrC1=CC=C(C=CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223098	1	39	0.0	-49.96	332.24	8.27	-41.69
BrC1=CC=C(C=CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223098	1	39	0.0	-51.90	332.99	8.40	-43.50
CC1=CC=CC(C)=C1OCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223099	0	45	0.0	-48.75	354.47	7.63	-41.12
CC1=CC=CC(C)=C1OCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223099	1	45	0.0	-48.03	351.77	7.49	-40.54
CC1=CC=CC(C)=C1OCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223099	1	45	0.0	-48.69	354.40	7.62	-41.07
CC1=CC=CC(C)=C1OCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223099	1	45	0.0	-47.98	351.70	7.48	-40.50
CC1=CC(Cl)=CC=C1OC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223100	0	46	0.0	-50.54	383.47	9.61	-40.93
CC1=CC(Cl)=CC=C1OC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223100	1	46	0.0	-48.67	383.46	9.67	-39.00
CC(C)(C)C1=CC=CC(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223101	0	51	0.0	-48.52	386.13	8.30	-40.22
CC(C)(C)C1=CC=CC(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223101	1	51	0.0	-49.55	386.10	8.34	-41.21
CC(C)(C)C1=CC=CC(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223101	1	51	0.0	-48.48	386.07	8.29	-40.19
CC(C)(C)C1=CC=CC(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223101	1	51	0.0	-49.55	386.02	8.34	-41.21
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=CC=C1Cl	REAL300020223102	0	39	-1.0	-42.25	333.44	4.46	-37.79
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC=C1Cl	REAL300020223102	1	39	-1.0	-42.25	333.51	4.48	-37.77
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020223103	0	54	0.0	-66.16	418.92	4.93	-61.23
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020223103	1	54	0.0	-66.20	418.99	4.95	-61.25
CC1=CC=CC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223104	0	41	-1.0	-44.38	333.46	2.19	-42.19
CC1=CC=CC(CNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223104	1	42	0.0	-49.23	338.21	4.82	-44.41
CC1=CC=CC(CNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223104	1	42	0.0	-46.34	338.89	4.90	-41.44
CC1=CC=CC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223104	1	41	-1.0	-44.39	333.53	2.20	-42.19
COC1=CC=C(CCNC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223105	0	53	0.0	-61.37	414.20	4.64	-56.73
COC1=CC=C(CCNC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223105	1	53	0.0	-56.83	413.13	4.67	-52.16
COC1=CC=C(CCNC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020223105	1	52	-1.0	-50.86	411.14	2.26	-48.60
COC1=CC=C(CCNC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223105	1	52	-1.0	-50.87	411.21	2.27	-48.60
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C2OCCOC2=C1	REAL300020223106	0	51	0.0	-47.19	396.11	4.75	-42.44
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C2OCCOC2=C1	REAL300020223106	1	51	0.0	-58.36	395.81	4.66	-53.70
CC(NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C2OCCOC2=C1	REAL300020223106	1	50	-1.0	-55.95	393.61	2.33	-53.62
CC(NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C2OCCOC2=C1	REAL300020223106	1	50	-1.0	-55.95	393.67	2.34	-53.61
CC(C(=O)NCC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020223107	0	41	-1.0	-53.47	337.27	2.36	-51.11
CC(C(=O)NCC1=CC=CC=C1F)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223107	1	42	0.0	-53.28	339.56	4.67	-48.61
CC(C(=O)NCC1=CC=CC=C1F)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223107	1	42	0.0	-48.66	338.45	4.72	-43.94
CC(C(=O)NCC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020223107	1	41	-1.0	-53.50	337.34	2.37	-51.13
CC(NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC2=CC=CC=C2O1	REAL300020223108	0	47	-1.0	-46.46	378.32	3.75	-42.71
CC(NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2O1	REAL300020223108	1	47	-1.0	-46.47	378.39	3.76	-42.71
CCOC(=O)C1CCCN(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223109	0	51	0.0	-57.47	387.72	6.07	-51.40
CCOC(=O)C1CCCN(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223109	1	51	0.0	-51.83	388.94	6.13	-45.70
CCOC(=O)C1CCCN(C(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020223109	1	50	-1.0	-48.30	376.03	3.36	-44.94
CCOC(=O)C1CCCN(C(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223109	1	50	-1.0	-48.31	376.10	3.37	-44.94
CC(C(=O)N(CCC#N)C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223110	0	45	-1.0	-46.50	361.87	4.76	-41.74
CC(C(=O)N(CCC#N)C1=CC=C(F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223110	1	46	0.0	-59.20	366.35	7.18	-52.02
CC(C(=O)N(CCC#N)C1=CC=C(F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223110	1	46	0.0	-58.37	363.33	6.93	-51.44
CC(C(=O)N(CCC#N)C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223110	1	45	-1.0	-46.48	361.94	4.77	-41.71
COC1=CC=CC=C1N(CCC#N)C(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223111	0	49	-1.0	-41.98	397.26	4.65	-37.33
COC1=CC=CC=C1N(CCC#N)C(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223111	1	49	-1.0	-41.98	397.33	4.66	-37.32
COC1=CC=CC=C1N(CCC#N)C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223111	1	50	0.0	-52.37	399.65	6.92	-45.45
COC1=CC=CC=C1N(CCC#N)C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223111	1	50	0.0	-47.96	398.85	7.00	-40.96
CC1=CC=C(N(CCC#N)C(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223112	0	48	-1.0	-46.60	376.86	5.37	-41.23
CC1=CC=C(N(CCC#N)C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223112	1	49	0.0	-56.27	381.32	7.79	-48.48
CC1=CC=C(N(CCC#N)C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223112	1	49	0.0	-62.08	380.16	7.64	-54.44
CC1=CC=C(N(CCC#N)C(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223112	1	48	-1.0	-46.65	376.93	5.38	-41.27
CC(C(=O)N(C)CC1COC2=CC=CC=C2O1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223113	0	51	0.0	-53.05	392.77	5.94	-47.11
CC(C(=O)N(C)CC1COC2=CC=CC=C2O1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223113	1	51	0.0	-52.42	391.47	6.50	-45.92
CC(C(=O)N(C)CC1COC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223113	1	50	-1.0	-58.60	386.90	3.88	-54.72
CC(C(=O)N(C)CC1COC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223113	1	50	-1.0	-58.63	386.97	3.89	-54.74
COC1=CC=C(CN(C)C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223114	0	53	0.0	-47.75	405.20	5.63	-42.12
COC1=CC=C(CN(C)C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223114	1	53	0.0	-51.09	407.85	5.75	-45.34
COC1=CC=C(CN(C)C(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020223114	1	52	-1.0	-50.50	401.85	3.26	-47.24
COC1=CC=C(CN(C)C(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223114	1	52	-1.0	-50.54	401.91	3.28	-47.26
CC(C(=O)N(C)CC1=C(F)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020223115	0	44	-1.0	-45.08	355.78	4.65	-40.43
CC(C(=O)N(C)CC1=C(F)C=CC=C1Cl)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223115	1	45	0.0	-41.15	355.57	6.81	-34.34
CC(C(=O)N(C)CC1=C(F)C=CC=C1Cl)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223115	1	45	0.0	-50.63	355.56	6.76	-43.87
CC(C(=O)N(C)CC1=C(F)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020223115	1	44	-1.0	-45.08	355.85	4.66	-40.42
COC1=CC=C(CN(C)C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223116	0	49	0.0	-48.15	382.18	5.81	-42.34
COC1=CC=C(CN(C)C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223116	1	49	0.0	-49.69	384.84	5.93	-43.76
COC1=CC=C(CN(C)C(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020223116	1	48	-1.0	-53.01	378.83	3.44	-49.57
COC1=CC=C(CN(C)C(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223116	1	48	-1.0	-53.02	378.90	3.45	-49.57
COC1=CC2=CC=C(CN(C)C(=O)C(C)[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020223117	0	55	0.0	-46.09	421.67	7.98	-38.11
COC1=CC2=CC=C(CN(C)C(=O)C(C)[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020223117	1	55	0.0	-46.69	421.59	7.99	-38.70
COC1=CC2=CC=C(CN(C)C(=O)C(C)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020223117	1	54	-1.0	-44.42	419.19	5.69	-38.73
COC1=CC2=CC=C(CN(C)C(=O)C(C)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020223117	1	54	-1.0	-44.51	419.27	5.70	-38.81
BrC1=CN=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223118	0	30	-1.0	-38.35	270.46	1.98	-36.37
BrC1=CN=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223118	1	30	-1.0	-38.36	270.53	1.98	-36.38
BrC1=CN=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223118	1	31	0.0	-49.62	273.15	4.36	-45.26
BrC1=CN=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223118	1	31	0.0	-49.15	271.61	4.32	-44.83
CC1CCC(N(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)CC1	REAL300020223119	0	52	0.0	-41.57	370.55	7.39	-34.18
CC1CCC(N(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)CC1	REAL300020223119	1	52	0.0	-41.68	370.44	7.40	-34.28
CC1CCC(N(C(=O)CN2CCC(C3=N[N-]N=N3)C2)C2CC2)CC1	REAL300020223119	1	51	-1.0	-43.35	359.44	4.77	-38.58
CC1CCC(N(C(=O)CN2CCC(C3=NN=N[N-]3)C2)C2CC2)CC1	REAL300020223119	1	51	-1.0	-43.35	359.51	4.79	-38.56
ClC1=CC=C(OCC2=CC=CN=C2)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223120	0	45	0.0	-48.58	374.04	7.82	-40.76
ClC1=CC=C(OCC2=CC=CN=C2)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223120	1	45	0.0	-49.27	380.71	7.67	-41.60
ClC1=CC=C(OCC2=CC=CN=C2)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223120	1	44	-1.0	-41.49	378.05	5.14	-36.35
ClC1=CC=C(OCC2=CC=CN=C2)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223120	1	44	-1.0	-41.50	378.12	5.15	-36.35
CCCN1N=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223121	0	41	-1.0	-47.03	329.63	1.70	-45.33
CCCN1N=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223121	1	41	-1.0	-47.02	329.69	1.71	-45.31
CC1=NN(C(C)(C)C)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223122	0	47	-1.0	-42.50	365.75	3.23	-39.27
CC1=NN(C(C)(C)C)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223122	1	47	-1.0	-42.52	365.83	3.24	-39.28
C1=CN=CC(COC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020223123	0	45	0.0	-50.89	363.36	7.11	-43.78
C1=CN=CC(COC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020223123	1	45	0.0	-51.30	362.27	7.03	-44.27
C1=CC(COC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=CC=N1	REAL300020223124	0	45	0.0	-51.14	363.40	7.13	-44.01
C1=CC(COC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=CC=N1	REAL300020223124	1	45	0.0	-51.88	362.32	7.05	-44.83
C1=CC=C(COC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020223125	0	45	0.0	-49.46	361.29	7.20	-42.26
C1=CC=C(COC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020223125	1	45	0.0	-50.27	360.20	7.12	-43.15
C1=CC=C(OC2=CC=CN=C2)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223126	0	42	0.0	-45.08	336.06	6.78	-38.30
C1=CC=C(OC2=CC=CN=C2)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223126	1	42	0.0	-46.00	340.69	6.63	-39.37
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)N(C)N=C1	REAL300020223127	0	44	-1.0	-43.31	358.29	1.72	-41.59
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)N(C)N=C1	REAL300020223127	1	44	-1.0	-43.31	358.22	1.71	-41.60
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1CC(F)(F)F	REAL300020223128	0	35	-1.0	-42.29	296.65	1.56	-40.73
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1CC(F)(F)F	REAL300020223128	1	35	-1.0	-42.31	296.72	1.57	-40.74
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223129	0	52	0.0	-54.58	382.59	6.71	-47.87
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223129	1	52	0.0	-54.03	381.81	6.59	-47.44
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223129	1	52	0.0	-54.54	382.52	6.71	-47.83
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223129	1	52	0.0	-53.99	381.74	6.59	-47.40
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=CC(OC(F)(F)F)=C1	REAL300020223130	0	43	-1.0	-42.51	354.44	3.29	-39.22
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(OC(F)(F)F)=C1	REAL300020223130	1	44	0.0	-48.61	357.15	5.58	-43.03
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(OC(F)(F)F)=C1	REAL300020223130	1	44	0.0	-51.71	357.08	5.62	-46.09
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(OC(F)(F)F)=C1	REAL300020223130	1	43	-1.0	-42.52	354.51	3.31	-39.21
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCCC2=C1	REAL300020223131	0	55	0.0	-42.99	414.32	8.08	-34.91
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCCC2=C1	REAL300020223131	1	55	0.0	-53.97	414.00	8.00	-45.97
CC(NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C2CCCCC2=C1	REAL300020223131	1	54	-1.0	-45.90	410.68	5.74	-40.16
CC(NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCCC2=C1	REAL300020223131	1	54	-1.0	-45.93	410.76	5.76	-40.17
ClC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020223132	0	31	-1.0	-39.10	291.45	4.46	-34.64
ClC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020223132	1	32	0.0	-46.79	289.58	6.63	-40.16
ClC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020223132	1	32	0.0	-48.19	292.35	6.67	-41.52
ClC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020223132	1	31	-1.0	-39.12	291.53	4.47	-34.65
COCCN(C(C)=O)C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020223133	0	44	-1.0	-46.98	358.05	2.22	-44.76
COCCN(C(C)=O)C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223133	1	44	-1.0	-47.01	358.12	2.24	-44.77
FC1=CC=C(CC2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223134	0	39	-1.0	-40.06	335.90	2.57	-37.49
FC1=CC=C(CC2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223134	1	39	-1.0	-40.09	335.97	2.57	-37.52
CC(=O)NC1=CC=C(S(=O)(=O)CCCN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223135	0	47	-1.0	-55.24	393.72	0.56	-54.68
CC(=O)NC1=CC=C(S(=O)(=O)CCCN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223135	1	47	-1.0	-55.27	393.79	0.57	-54.70
CC(=O)NC1=CC=C(S(=O)(=O)CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223135	1	48	0.0	-66.70	397.04	3.06	-63.64
CC(=O)NC1=CC=C(S(=O)(=O)CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223135	1	48	0.0	-63.80	396.29	3.12	-60.68
FC(F)(F)COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223136	0	39	0.0	-50.82	328.18	6.31	-44.51
FC(F)(F)COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223136	1	39	0.0	-51.21	327.10	6.22	-44.99
CCOC(=O)C1=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)SC(C)=C1	REAL300020223137	0	47	-1.0	-44.17	389.65	3.88	-40.29
CCOC(=O)C1=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)SC(C)=C1	REAL300020223137	1	47	-1.0	-44.17	389.73	3.90	-40.27
COC(=O)C1=CC2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020223138	0	41	0.0	-56.69	340.30	6.68	-50.01
COC(=O)C1=CC2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020223138	1	41	0.0	-54.48	339.51	6.72	-47.76
CS(=O)(=O)C1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223139	0	42	0.0	-58.41	346.28	3.04	-55.37
CS(=O)(=O)C1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223139	1	42	0.0	-57.12	348.82	2.90	-54.22
CC(=O)N(C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1)C1CC1	REAL300020223140	0	41	-1.0	-43.01	338.90	4.12	-38.89
CC(=O)N(C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1)C1CC1	REAL300020223140	1	41	-1.0	-43.04	338.97	4.13	-38.91
ClC1=CC=CC(OC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=C1Cl	REAL300020223141	0	43	0.0	-53.84	378.78	9.43	-44.41
ClC1=CC=CC(OC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=C1Cl	REAL300020223141	1	43	0.0	-49.23	377.80	9.46	-39.77
CCOC(C)C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020223142	0	40	-1.0	-38.62	338.59	1.48	-37.14
CCOC(C)C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223142	1	40	-1.0	-38.65	338.66	1.50	-37.15
CCOC(C)C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223142	1	41	0.0	-43.64	341.20	4.12	-39.52
CCOC(C)C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223142	1	41	0.0	-45.44	339.54	4.37	-41.07
FC(F)(F)CN1C=CN=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223143	0	34	-1.0	-44.29	292.18	4.00	-40.29
FC(F)(F)CN1C=CN=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223143	1	34	-1.0	-44.28	292.25	4.00	-40.28
FC1=CC=CC=C1OC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223144	0	43	0.0	-57.56	360.46	8.56	-49.00
FC1=CC=CC=C1OC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223144	1	43	0.0	-56.99	360.65	8.58	-48.41
C1=CC2=CC=CC(CCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020223145	0	44	0.0	-49.41	344.47	9.29	-40.12
C1=CC2=CC=CC(CCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020223145	1	44	0.0	-50.39	343.43	9.33	-41.06
C1=CC2=CC=CC(CCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020223145	1	44	0.0	-49.42	344.40	9.28	-40.14
C1=CC2=CC=CC(CCC[N@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020223145	1	44	0.0	-50.35	343.36	9.32	-41.03
O=S(CCN1CCC(C2=N[N-]N=N2)C1)C1=CC(Cl)=CC=C1Cl	REAL300020223146	0	36	-1.0	-46.38	335.13	3.19	-43.19
O=S(CCN1CCC(C2=NN=N[N-]2)C1)C1=CC(Cl)=CC=C1Cl	REAL300020223146	1	36	-1.0	-46.39	335.20	3.20	-43.19
O=S(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC(Cl)=CC=C1Cl	REAL300020223146	1	37	0.0	-54.70	342.25	5.47	-49.23
O=S(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC(Cl)=CC=C1Cl	REAL300020223146	1	37	0.0	-60.16	339.14	5.76	-54.40
C1=CC=C(CC2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020223147	0	39	-1.0	-40.64	330.54	-0.21	-40.85
C1=CC=C(CC2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020223147	1	39	-1.0	-40.63	330.61	-0.19	-40.82
CC(C1=CC=C(OC(F)(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223148	0	39	0.0	-46.72	318.65	5.99	-40.73
CC(C1=CC=C(OC(F)(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223148	1	39	0.0	-46.37	320.43	6.10	-40.27
CC(C1=CC=C(OC(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223149	0	39	0.0	-50.67	312.81	5.78	-44.89
CC(C1=CC=C(OC(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223149	1	39	0.0	-49.77	313.22	5.85	-43.92
CC1=CC(=O)OC2=CC(OCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020223150	0	44	0.0	-63.71	350.69	7.63	-56.08
CC1=CC(=O)OC2=CC(OCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020223150	1	44	0.0	-66.11	353.16	7.37	-58.74
COC1=CC(C#N)=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223151	0	41	0.0	-55.04	335.81	5.73	-49.31
COC1=CC(C#N)=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223151	1	41	0.0	-52.48	337.81	5.60	-46.88
CS(=O)(=O)C1=CC=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223152	0	42	0.0	-57.77	345.54	3.08	-54.69
CS(=O)(=O)C1=CC=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223152	1	42	0.0	-59.83	348.02	2.81	-57.02
O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223153	0	44	0.0	-46.82	344.95	3.12	-43.70
O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223153	1	44	0.0	-47.59	344.98	3.17	-44.42
O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223153	1	44	0.0	-46.79	344.88	3.12	-43.67
O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223153	1	44	0.0	-47.55	344.91	3.15	-44.40
O=[N+]([O-])C1=CC=C(Cl)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223154	0	33	-1.0	-38.72	285.12	3.52	-35.20
O=[N+]([O-])C1=CC=C(Cl)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223154	1	34	0.0	-50.74	299.83	6.79	-43.95
O=[N+]([O-])C1=CC=C(Cl)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223154	1	34	0.0	-50.65	300.01	6.73	-43.92
O=[N+]([O-])C1=CC=C(Cl)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223154	1	33	-1.0	-38.74	285.19	3.53	-35.21
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=C(Cl)C=C1	REAL300020223155	0	39	-1.0	-40.90	326.12	4.06	-36.84
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C=C1	REAL300020223155	1	40	0.0	-48.27	329.02	6.41	-41.86
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C=C1	REAL300020223155	1	40	0.0	-50.06	327.60	6.39	-43.67
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C=C1	REAL300020223155	1	39	-1.0	-40.92	326.19	4.07	-36.85
ClC1=CC(Cl)=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223156	0	36	0.0	-48.21	319.02	6.45	-41.76
ClC1=CC(Cl)=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223156	1	36	0.0	-51.02	320.87	6.37	-44.65
ClC1=CC=C(C2=NOC(CC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223157	0	40	0.0	-57.07	348.11	5.54	-51.53
ClC1=CC=C(C2=NOC(CC[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223157	1	40	0.0	-58.80	347.10	5.60	-53.20
C1=CC=C(C2=NOC(CC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223158	0	40	0.0	-55.23	330.89	4.99	-50.24
C1=CC=C(C2=NOC(CC[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223158	1	40	0.0	-56.85	330.85	5.06	-51.79
ClC1=CC=CC(C2=NOC(CC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020223159	0	40	0.0	-55.70	347.62	5.50	-50.20
ClC1=CC=CC(C2=NOC(CC[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020223159	1	40	0.0	-55.11	347.63	5.54	-49.57
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Cl)=C1	REAL300020223160	0	39	0.0	-55.63	330.27	5.18	-50.45
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Cl)=C1	REAL300020223160	1	39	0.0	-57.09	330.55	5.14	-51.95
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Cl)=C1	REAL300020223160	1	39	0.0	-55.60	330.20	5.16	-50.44
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Cl)=C1	REAL300020223160	1	39	0.0	-57.09	330.48	5.12	-51.97
CCOC(=O)N1CCN(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223161	0	50	0.0	-52.29	382.65	4.34	-47.95
CCOC(=O)N1CCN(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223161	1	50	0.0	-58.33	381.73	4.26	-54.07
CCOC(=O)N1CCN(C(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223161	1	49	-1.0	-45.90	378.55	1.99	-43.91
CCOC(=O)N1CCN(C(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223161	1	49	-1.0	-45.89	378.63	1.99	-43.90
CC(C)(C)OC(=O)NC(C)(C)C1=NOC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223162	0	52	-1.0	-39.86	406.97	-0.39	-40.25
CC(C)(C)OC(=O)NC(C)(C)C1=NOC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223162	1	52	-1.0	-39.92	407.04	-0.39	-40.31
COC1=CC=C(C2CCCN2C(=O)CN2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020223163	0	53	-1.0	-47.99	411.66	3.93	-44.06
COC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020223163	1	54	0.0	-49.03	414.77	6.29	-42.74
COC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020223163	1	54	0.0	-49.29	415.23	6.30	-42.99
COC1=CC=C(C2CCCN2C(=O)CN2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020223163	1	53	-1.0	-48.01	411.73	3.95	-44.06
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCCOC1CCCCC1	REAL300020223164	0	51	-1.0	-44.66	391.08	1.97	-42.69
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCOC1CCCCC1	REAL300020223164	1	52	0.0	-50.03	395.87	4.62	-45.41
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCOC1CCCCC1	REAL300020223164	1	52	0.0	-49.77	395.69	4.60	-45.17
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCCOC1CCCCC1	REAL300020223164	1	51	-1.0	-44.71	391.14	1.99	-42.72
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCOC1=CC=CC(F)=C1	REAL300020223165	0	42	-1.0	-46.92	348.37	1.20	-45.72
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCOC1=CC=CC(F)=C1	REAL300020223165	1	42	-1.0	-46.95	348.43	1.22	-45.73
CN(CCOC1=CC=CC=C1F)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223166	0	45	-1.0	-53.81	364.06	3.69	-50.12
CN(CCOC1=CC=CC=C1F)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223166	1	46	0.0	-48.68	369.87	5.93	-42.75
CN(CCOC1=CC=CC=C1F)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223166	1	46	0.0	-48.76	368.69	6.00	-42.76
CN(CCOC1=CC=CC=C1F)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223166	1	45	-1.0	-53.85	364.12	3.70	-50.15
CN(CC1CCCCC1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223167	0	47	-1.0	-45.77	349.51	3.93	-41.84
CN(CC1CCCCC1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223167	1	48	0.0	-48.37	352.58	6.40	-41.97
CN(CC1CCCCC1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223167	1	48	0.0	-47.15	352.43	6.38	-40.77
CN(CC1CCCCC1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223167	1	47	-1.0	-45.77	349.58	3.93	-41.84
CN(CCCOC1=CC=CC=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223168	0	48	-1.0	-48.70	381.62	3.96	-44.74
CN(CCCOC1=CC=CC=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223168	1	49	0.0	-51.74	386.42	6.61	-45.13
CN(CCCOC1=CC=CC=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223168	1	49	0.0	-51.13	386.32	6.61	-44.52
CN(CCCOC1=CC=CC=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223168	1	48	-1.0	-48.72	381.69	3.98	-44.74
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020223169	0	46	-1.0	-46.47	368.71	3.27	-43.20
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020223169	1	47	0.0	-53.74	372.08	5.75	-47.99
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020223169	1	47	0.0	-54.32	372.01	5.76	-48.56
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020223169	1	46	-1.0	-46.43	368.78	3.29	-43.14
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(C1CC1)C1CCCC1	REAL300020223170	0	46	0.0	-48.04	339.17	6.42	-41.62
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(C1CC1)C1CCCC1	REAL300020223170	1	46	0.0	-41.97	326.54	5.96	-36.01
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(C1CC1)C1CCCC1	REAL300020223170	1	45	-1.0	-46.23	317.49	3.26	-42.97
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(C1CC1)C1CCCC1	REAL300020223170	1	45	-1.0	-46.21	317.56	3.28	-42.93
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCOC1=CC=C(F)C=C1	REAL300020223171	0	42	-1.0	-46.03	348.37	1.19	-44.84
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCOC1=CC=C(F)C=C1	REAL300020223171	1	42	-1.0	-46.04	348.43	1.21	-44.83
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC(F)=CC(F)=C1	REAL300020223172	0	38	-1.0	-44.08	324.88	1.66	-42.42
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC(F)=CC(F)=C1	REAL300020223172	1	38	-1.0	-44.08	324.94	1.67	-42.41
CC(C)N(CC(F)(F)F)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223173	0	40	-1.0	-46.24	316.65	2.17	-44.07
CC(C)N(CC(F)(F)F)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223173	1	40	-1.0	-46.23	316.72	2.19	-44.04
CC(CC1=C(F)C=CC=C1F)NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223174	0	44	-1.0	-45.35	359.90	3.42	-41.93
CC(CC1=C(F)C=CC=C1F)NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223174	1	44	-1.0	-45.31	359.97	3.43	-41.88
CC(C)(C)N(CC1=CC=CC(F)=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223175	0	51	0.0	-44.35	376.77	7.50	-36.85
CC(C)(C)N(CC1=CC=CC(F)=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223175	1	51	0.0	-45.88	376.67	7.54	-38.34
CC(C)(C)N(CC1=CC=CC(F)=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223175	1	50	-1.0	-44.49	372.12	4.90	-39.59
CC(C)(C)N(CC1=CC=CC(F)=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223175	1	50	-1.0	-44.49	372.19	4.92	-39.57
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1CCC2(CC1)OCCO2	REAL300020223176	0	47	-1.0	-46.13	359.90	0.08	-46.05
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1CCC2(CC1)OCCO2	REAL300020223176	1	47	-1.0	-46.14	359.96	0.09	-46.05
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCC2(CC1)OCCO2	REAL300020223176	1	48	0.0	-47.58	364.88	2.72	-44.86
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1CCC2(CC1)OCCO2	REAL300020223176	1	48	0.0	-50.44	364.52	2.72	-47.72
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1=C(F)C=CC=C1F	REAL300020223177	0	41	-1.0	-47.32	344.18	2.34	-44.98
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1=C(F)C=CC=C1F	REAL300020223177	1	41	-1.0	-47.36	344.25	2.36	-45.00
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1(C2=CC=CC=C2)CCC1	REAL300020223178	0	45	-1.0	-44.97	351.83	3.79	-41.18
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1(C2=CC=CC=C2)CCC1	REAL300020223178	1	46	0.0	-47.28	354.27	6.07	-41.21
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1(C2=CC=CC=C2)CCC1	REAL300020223178	1	46	0.0	-50.51	353.99	6.11	-44.40
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1(C2=CC=CC=C2)CCC1	REAL300020223178	1	45	-1.0	-44.97	351.90	3.81	-41.16
CC1=CC=C(CN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)C2CC2)O1	REAL300020223179	0	45	-1.0	-43.01	358.98	4.37	-38.64
CC1=CC=C(CN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)C2CC2)O1	REAL300020223179	1	45	-1.0	-43.04	359.06	4.39	-38.65
CC1=CC=CC=C1CC(C)NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223180	0	47	-1.0	-48.87	370.26	3.88	-44.99
CC1=CC=CC=C1CC(C)NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223180	1	48	0.0	-47.17	374.32	6.33	-40.84
CC1=CC=CC=C1CC(C)NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223180	1	48	0.0	-47.25	374.05	6.39	-40.86
CC1=CC=CC=C1CC(C)NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223180	1	47	-1.0	-48.91	370.33	3.89	-45.02
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCOC1=CC=CC(Cl)=C1	REAL300020223181	0	42	-1.0	-46.28	358.69	1.65	-44.63
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCOC1=CC=CC(Cl)=C1	REAL300020223181	1	42	-1.0	-46.26	358.75	1.67	-44.59
CCC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223182	0	41	-1.0	-44.31	347.27	2.37	-41.94
CCC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223182	1	41	-1.0	-44.35	347.34	2.37	-41.98
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1(C2=CC=C(F)C=C2)CCCC1	REAL300020223183	0	51	-1.0	-46.90	394.21	5.32	-41.58
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1(C2=CC=C(F)C=C2)CCCC1	REAL300020223183	1	51	-1.0	-46.89	394.28	5.33	-41.56
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCCN1C1=CC=CC=C1Cl	REAL300020223184	0	42	-1.0	-42.80	347.31	5.01	-37.79
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC=C1Cl	REAL300020223184	1	42	-1.0	-42.79	347.38	5.02	-37.77
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(CC2=CC=C3OCCC3=C2)CC1	REAL300020223185	0	55	-1.0	-45.17	420.57	2.84	-42.33
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=C3OCCC3=C2)CC1	REAL300020223185	1	56	0.0	-49.88	424.16	5.36	-44.52
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=C3OCCC3=C2)CC1	REAL300020223185	1	56	0.0	-48.27	423.51	5.23	-43.04
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=C3OCCC3=C2)CC1	REAL300020223185	1	55	-1.0	-45.16	420.64	2.85	-42.31
CC(C1=NC=C(C2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223186	0	40	-1.0	-44.01	330.85	2.24	-41.77
CC(C1=NC=C(C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223186	1	40	-1.0	-44.00	330.92	2.25	-41.75
CC1=CC=C(N2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223187	0	46	0.0	-43.86	355.49	7.32	-36.54
CC1=CC=C(N2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223187	1	46	0.0	-53.95	355.08	7.35	-46.60
CC1=CC=C(N2CCCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223187	1	45	-1.0	-49.81	347.48	4.77	-45.04
CC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020223188	0	42	0.0	-41.58	314.93	5.45	-36.13
CC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1C(F)(F)F	REAL300020223188	1	42	0.0	-49.27	320.76	5.45	-43.82
C1=CC=C(CCC2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223189	0	42	-1.0	-37.92	351.51	3.09	-34.83
C1=CC=C(CCC2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223189	1	42	-1.0	-37.92	351.57	3.10	-34.82
COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1SC(F)(F)F	REAL300020223190	0	40	0.0	-50.31	343.09	6.34	-43.97
COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1SC(F)(F)F	REAL300020223190	1	40	0.0	-49.90	342.28	6.42	-43.48
CC1=CC=CC=C1C1=NOC(C(C)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223191	0	42	-1.0	-40.21	340.42	3.30	-36.91
CC1=CC=CC=C1C1=NOC(C(C)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223191	1	42	-1.0	-40.23	340.50	3.30	-36.93
CC(C1=NC(C2=CC=C(Cl)C=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223192	0	39	-1.0	-43.32	342.41	2.93	-40.39
CC(C1=NC(C2=CC=C(Cl)C=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223192	1	39	-1.0	-43.34	342.49	2.93	-40.41
COC1=CC=CC(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)=C1	REAL300020223193	0	40	-1.0	-43.72	337.52	-1.44	-45.16
COC1=CC=CC(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)=C1	REAL300020223193	1	40	-1.0	-43.72	337.59	-1.43	-45.15
CC1=CC=C(C2=CN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020223194	0	40	-1.0	-40.21	333.61	2.26	-37.95
CC1=CC=C(C2=CN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020223194	1	40	-1.0	-40.24	333.68	2.28	-37.96
CC(C)COC(C)C1=NOC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223195	0	45	-1.0	-38.71	366.00	0.67	-38.04
CC(C)COC(C)C1=NOC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223195	1	45	-1.0	-38.71	366.06	0.69	-38.02
COC(=O)C1=C(N2CCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)SC=C1	REAL300020223196	0	42	-1.0	-50.32	353.40	3.57	-46.75
COC(=O)C1=C(N2CCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)SC=C1	REAL300020223196	1	42	-1.0	-50.30	353.46	3.58	-46.72
C1=CC=C(OC2=CC=C(OCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020223197	0	47	0.0	-52.42	374.29	8.35	-44.07
C1=CC=C(OC2=CC=C(OCC[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020223197	1	47	0.0	-49.58	378.55	8.29	-41.29
CC1=C(C)C(C)=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223198	0	41	-1.0	-45.93	334.24	2.59	-43.34
CC1=C(C)C(C)=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223198	1	41	-1.0	-45.94	334.31	2.60	-43.34
FC(F)(F)CC1=NOC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223199	0	32	-1.0	-38.35	289.10	-0.41	-38.76
FC(F)(F)CC1=NOC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223199	1	32	-1.0	-38.37	289.17	-0.40	-38.77
ClC1=CC=C(Br)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223200	0	31	-1.0	-37.47	278.32	3.46	-34.01
ClC1=CC=C(Br)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223200	1	31	-1.0	-37.49	278.39	3.48	-34.01
ClC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223200	1	32	0.0	-45.11	293.20	6.72	-38.39
ClC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223200	1	32	0.0	-42.50	292.99	6.74	-35.76
FC(F)(F)OC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223201	0	40	0.0	-50.67	331.59	5.29	-45.38
FC(F)(F)OC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223201	1	40	0.0	-49.35	334.14	5.16	-44.19
CN1C=CC(N2CCCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)=N1	REAL300020223202	0	42	-1.0	-53.87	327.05	2.91	-50.96
CN1C=CC(N2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=N1	REAL300020223202	1	43	0.0	-46.72	330.74	5.23	-41.49
CN1C=CC(N2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=N1	REAL300020223202	1	43	0.0	-57.30	329.57	5.26	-52.04
CN1C=CC(N2CCCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)=N1	REAL300020223202	1	42	-1.0	-53.83	327.13	2.91	-50.92
FC1=CC=CC(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)=C1	REAL300020223203	0	36	-1.0	-41.18	315.00	-0.86	-42.04
FC1=CC=CC(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)=C1	REAL300020223203	1	36	-1.0	-41.21	315.06	-0.85	-42.06
BrC1=CC=CC(C2=CN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)=C1	REAL300020223204	0	37	-1.0	-43.39	326.76	2.34	-41.05
BrC1=CC=CC(C2=CN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)=C1	REAL300020223204	1	37	-1.0	-43.36	326.83	2.36	-41.00
COC1=CC=CC=C1C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020223205	0	40	-1.0	-53.57	329.03	-1.35	-54.92
COC1=CC=CC=C1C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223205	1	40	-1.0	-53.59	329.09	-1.34	-54.93
CN1C=C(S(=O)(=O)NCCN2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020223206	0	39	-1.0	-47.46	334.72	-2.87	-50.33
CN1C=C(S(=O)(=O)NCCN2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020223206	1	39	-1.0	-47.44	334.80	-2.85	-50.29
CN1C=C(S(=O)(=O)NCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020223206	1	40	0.0	-62.45	339.27	-0.30	-62.75
CN1C=C(S(=O)(=O)NCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020223206	1	40	0.0	-60.53	340.01	-0.25	-60.78
CC1=NN(C)C(N2CCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)=C1	REAL300020223207	0	42	-1.0	-55.98	341.36	2.72	-53.26
CC1=NN(C)C(N2CCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020223207	1	42	-1.0	-55.99	341.42	2.74	-53.25
CC1=CC=CC=C1C1=CN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020223208	0	40	-1.0	-40.05	330.98	2.09	-37.96
CC1=CC=CC=C1C1=CN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223208	1	40	-1.0	-40.12	331.04	2.10	-38.02
BrC1=CC=CC=C1C1=CN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020223209	0	37	-1.0	-40.55	331.08	2.03	-38.52
BrC1=CC=CC=C1C1=CN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223209	1	37	-1.0	-40.59	331.15	2.05	-38.54
FC1=CC=CC=C1C1=CN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020223210	0	37	-1.0	-41.63	319.73	1.66	-39.97
FC1=CC=CC=C1C1=CN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223210	1	37	-1.0	-41.63	319.79	1.68	-39.95
CS(=O)(=O)CC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020223211	0	36	-1.0	-57.98	319.10	-1.90	-59.88
CS(=O)(=O)CC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223211	1	36	-1.0	-57.97	319.17	-1.89	-59.86
N#CC1=CC=C(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)C=C1	REAL300020223212	0	37	-1.0	-41.33	329.38	-0.54	-41.87
N#CC1=CC=C(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020223212	1	37	-1.0	-41.32	329.45	-0.52	-41.84
N#CC1=CC=CC(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)=C1	REAL300020223213	0	37	-1.0	-44.26	328.88	-0.35	-44.61
N#CC1=CC=CC(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)=C1	REAL300020223213	1	37	-1.0	-44.27	328.96	-0.35	-44.62
COC1=CC=CC=C1C1=CN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020223214	0	41	-1.0	-42.29	342.52	1.01	-41.28
COC1=CC=CC=C1C1=CN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223214	1	41	-1.0	-42.34	342.59	1.03	-41.31
CCOC(=O)COC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223215	0	49	0.0	-54.76	393.32	7.33	-47.43
CCOC(=O)COC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223215	1	49	0.0	-54.83	395.86	7.21	-47.62
CN1C=C(N2CCCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)C=N1	REAL300020223216	0	42	-1.0	-58.32	325.39	1.87	-56.45
CN1C=C(N2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=N1	REAL300020223216	1	43	0.0	-48.97	328.53	4.18	-44.79
CN1C=C(N2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=N1	REAL300020223216	1	43	0.0	-60.70	327.36	4.21	-56.49
CN1C=C(N2CCCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)C=N1	REAL300020223216	1	42	-1.0	-58.34	325.46	1.87	-56.47
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020223217	0	42	0.0	-47.97	334.88	5.75	-42.22
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020223217	1	42	0.0	-52.53	342.07	5.64	-46.89
FC(F)(F)COC1=CC=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223218	0	39	0.0	-46.81	321.91	6.50	-40.31
FC(F)(F)COC1=CC=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223218	1	39	0.0	-43.71	326.22	6.37	-37.34
CCOC1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223219	0	43	0.0	-47.76	336.87	6.25	-41.51
CCOC1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223219	1	43	0.0	-50.39	338.44	6.09	-44.30
CC(C1=NC(CC2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223220	0	42	-1.0	-44.10	347.75	2.98	-41.12
CC(C1=NC(CC2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223220	1	42	-1.0	-44.13	347.83	2.99	-41.14
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(OC(F)F)C=C1	REAL300020223221	0	47	0.0	-47.97	373.26	6.14	-41.83
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(OC(F)F)C=C1	REAL300020223221	1	47	0.0	-57.95	372.94	6.25	-51.70
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCCN1C1=CC=C(OC(F)F)C=C1	REAL300020223221	1	46	-1.0	-52.36	365.27	3.66	-48.70
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(OC(F)F)C=C1	REAL300020223221	1	46	-1.0	-52.37	365.34	3.67	-48.70
CSC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223222	0	40	0.0	-50.48	325.78	6.52	-43.96
CSC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223222	1	40	0.0	-48.92	328.32	6.39	-42.53
CC(C1=NC(CC2=CC=C(Cl)C=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223223	0	42	-1.0	-39.03	363.88	3.51	-35.52
CC(C1=NC(CC2=CC=C(Cl)C=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223223	1	42	-1.0	-39.00	363.95	3.51	-35.49
IC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223224	0	31	-1.0	-37.25	279.59	4.07	-33.18
IC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223224	1	32	0.0	-49.30	284.01	6.63	-42.67
IC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223224	1	32	0.0	-48.77	285.51	6.64	-42.13
IC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223224	1	31	-1.0	-37.24	279.67	4.08	-33.16
COC(=O)C1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223225	0	42	0.0	-54.82	356.50	6.72	-48.10
COC(=O)C1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223225	1	42	0.0	-59.32	358.06	6.51	-52.81
COC(=O)C1=CC=C(OCCN2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020223225	1	41	-1.0	-41.49	355.53	3.96	-37.53
COC(=O)C1=CC=C(OCCN2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223225	1	41	-1.0	-41.50	355.60	3.97	-37.53
CS(=O)(=O)CC1=NOC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223226	0	35	-1.0	-50.60	312.24	-3.94	-54.54
CS(=O)(=O)CC1=NOC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223226	1	35	-1.0	-50.64	312.31	-3.93	-54.57
CCC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C(C(=O)OC)O1	REAL300020223227	0	41	0.0	-49.80	334.58	6.01	-43.79
CCC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C(C(=O)OC)O1	REAL300020223227	1	41	0.0	-50.31	338.06	5.99	-44.32
CCCCCCCCCCCCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223228	0	67	0.0	-46.26	499.06	13.56	-32.70
CCCCCCCCCCCCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223228	1	67	0.0	-46.01	500.26	13.62	-32.39
CCCCCCCCCCCCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223228	1	67	0.0	-46.21	498.98	13.55	-32.66
CCCCCCCCCCCCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223228	1	67	0.0	-45.98	500.19	13.61	-32.37
CC1=CC=CC=C1CC1=NOC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223229	0	42	-1.0	-40.37	343.90	3.44	-36.93
CC1=CC=CC=C1CC1=NOC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223229	1	42	-1.0	-40.37	343.97	3.45	-36.92
CC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223230	0	38	-1.0	-42.15	325.37	2.85	-39.30
CC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223230	1	38	-1.0	-42.16	325.44	2.87	-39.29
CC1=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020223231	0	38	-1.0	-40.05	329.40	2.94	-37.11
CC1=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020223231	1	38	-1.0	-40.09	329.48	2.96	-37.13
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Cl)=C1Cl	REAL300020223232	0	35	-1.0	-40.91	316.12	2.58	-38.33
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Cl)=C1Cl	REAL300020223232	1	35	-1.0	-40.87	316.19	2.59	-38.28
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1	REAL300020223233	0	35	-1.0	-45.27	304.57	2.09	-43.18
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1	REAL300020223233	1	35	-1.0	-45.28	304.64	2.09	-43.19
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1Br	REAL300020223234	0	35	-1.0	-44.12	306.69	2.36	-41.76
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1Br	REAL300020223234	1	35	-1.0	-44.10	306.76	2.36	-41.74
CC1=CC(Cl)=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223235	0	38	-1.0	-42.90	320.51	2.84	-40.06
CC1=CC(Cl)=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223235	1	38	-1.0	-42.93	320.58	2.85	-40.08
CC1=CC(C)=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020223236	0	41	-1.0	-46.58	347.86	3.75	-42.83
CC1=CC(C)=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223236	1	41	-1.0	-46.58	347.92	3.76	-42.82
CC(=O)C1=CC(F)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1O	REAL300020223237	0	38	0.0	-48.39	313.60	4.83	-43.56
CC(=O)C1=CC(F)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1O	REAL300020223237	1	38	0.0	-53.24	314.37	4.70	-48.54
CC(=O)C1=CC(F)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1[O-]	REAL300020223237	1	37	-1.0	-62.15	305.77	5.77	-56.38
CC(=O)C1=CC(F)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1[O-]	REAL300020223237	1	37	-1.0	-66.86	310.84	5.70	-61.16
CC(=O)C1=CC(Cl)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1O	REAL300020223238	0	38	0.0	-47.78	323.92	5.28	-42.50
CC(=O)C1=CC(Cl)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1O	REAL300020223238	1	38	0.0	-52.69	326.20	5.22	-47.47
CC(=O)C1=CC(Cl)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1[O-]	REAL300020223238	1	37	-1.0	-61.79	316.09	6.20	-55.59
CC(=O)C1=CC(Cl)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1[O-]	REAL300020223238	1	37	-1.0	-66.42	321.17	6.15	-60.27
CC(C)(C)C1=CC=C(S(=O)(=O)CCN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223239	0	49	-1.0	-45.05	392.82	3.14	-41.91
CC(C)(C)C1=CC=C(S(=O)(=O)CCN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223239	1	49	-1.0	-45.07	392.89	3.16	-41.91
CC1=CC=C(CN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020223240	0	49	0.0	-47.76	378.25	8.20	-39.56
CC1=CC=C(CN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020223240	1	49	0.0	-47.33	377.61	8.39	-38.94
CC1=CC=C(CN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)C2CC2)C=C1	REAL300020223240	1	48	-1.0	-40.86	371.34	5.64	-35.22
CC1=CC=C(CN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020223240	1	48	-1.0	-40.91	371.41	5.66	-35.25
CNC(=O)CC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020223241	0	37	-1.0	-46.92	322.75	-0.99	-47.91
CNC(=O)CC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223241	1	37	-1.0	-46.91	322.82	-0.97	-47.88
CNC(=O)CC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223241	1	38	0.0	-46.06	325.46	1.57	-44.49
CNC(=O)CC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223241	1	38	0.0	-48.00	325.60	1.75	-46.25
CC(C1CC1)N(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020223242	0	46	0.0	-46.18	342.48	6.32	-39.86
CC(C1CC1)N(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020223242	1	46	0.0	-44.22	347.91	6.64	-37.58
CC(C1CC1)N(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020223242	1	45	-1.0	-38.95	343.29	4.36	-34.59
CC(C1CC1)N(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020223242	1	45	-1.0	-38.96	343.36	4.37	-34.59
C#CCN1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223243	0	42	-1.0	-44.03	332.61	0.62	-43.41
C#CCN1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223243	1	43	0.0	-46.93	336.79	3.11	-43.82
C#CCN1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223243	1	43	0.0	-46.91	336.90	3.12	-43.79
C#CCN1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223243	1	42	-1.0	-44.03	332.68	0.62	-43.41
O=S(=O)(C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)F	REAL300020223244	0	38	0.0	-54.87	331.15	3.54	-51.33
O=S(=O)(C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)F	REAL300020223244	1	38	0.0	-55.71	331.63	3.47	-52.24
O=S(=O)(C1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1)C(F)F	REAL300020223244	1	37	-1.0	-44.32	328.21	1.11	-43.21
O=S(=O)(C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)F	REAL300020223244	1	37	-1.0	-44.31	328.28	1.12	-43.19
O=S(=O)(CCN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Br)=C1	REAL300020223245	0	37	-1.0	-45.74	335.99	1.48	-44.26
O=S(=O)(CCN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Br)=C1	REAL300020223245	1	37	-1.0	-45.74	336.06	1.50	-44.24
N#CC1=CC=C(S(=O)(=O)CCN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223246	0	38	-1.0	-46.69	337.20	1.45	-45.24
N#CC1=CC=C(S(=O)(=O)CCN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223246	1	38	-1.0	-46.72	337.27	1.47	-45.25
FC(F)(F)C1=CC=C(C#CCN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223247	0	36	-1.0	-38.31	321.94	5.61	-32.70
FC(F)(F)C1=CC=C(C#CCN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223247	1	36	-1.0	-38.31	322.01	5.62	-32.69
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223248	0	42	0.0	-58.97	352.87	5.66	-53.31
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223248	1	42	0.0	-60.72	353.16	5.62	-55.10
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223248	1	42	0.0	-58.99	352.80	5.64	-53.35
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223248	1	42	0.0	-60.70	353.09	5.60	-55.10
O=[N+]([O-])C1=CC=C2OC(CN3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020223249	0	35	-1.0	-46.09	300.69	0.90	-45.19
O=[N+]([O-])C1=CC=C2OC(CN3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020223249	1	35	-1.0	-46.11	300.77	0.91	-45.20
FC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020223250	0	31	-1.0	-41.13	273.73	3.29	-37.84
FC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020223250	1	31	-1.0	-41.14	273.80	3.30	-37.84
FC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020223250	1	32	0.0	-53.84	284.91	6.20	-47.64
FC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020223250	1	32	0.0	-53.86	285.04	6.22	-47.64
FC1=CC(Br)=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223251	0	31	-1.0	-38.79	283.17	3.79	-35.00
FC1=CC(Br)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223251	1	32	0.0	-48.99	286.16	6.24	-42.75
FC1=CC(Br)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223251	1	32	0.0	-50.80	283.87	6.22	-44.58
FC1=CC(Br)=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223251	1	31	-1.0	-38.77	283.23	3.80	-34.97
FC(F)(F)C1=CC=C(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223252	0	41	0.0	-51.41	340.70	8.18	-43.23
FC(F)(F)C1=CC=C(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223252	1	41	0.0	-51.37	340.32	8.18	-43.19
FC(F)(F)C1=CC=C(CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223252	1	41	0.0	-51.37	340.63	8.17	-43.20
FC(F)(F)C1=CC=C(CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223252	1	41	0.0	-51.34	340.26	8.16	-43.18
CN(C)C(=O)SC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223253	0	43	0.0	-50.41	358.90	6.17	-44.24
CN(C)C(=O)SC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223253	1	43	0.0	-51.55	356.33	6.22	-45.33
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1CCOCC1	REAL300020223254	0	44	0.0	-56.25	329.41	3.47	-52.78
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1CCOCC1	REAL300020223254	1	44	0.0	-45.60	329.98	3.48	-42.12
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1CCOCC1	REAL300020223254	1	43	-1.0	-52.17	327.08	1.12	-51.05
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1CCOCC1	REAL300020223254	1	43	-1.0	-52.17	327.15	1.13	-51.04
N#CC1=CC=C(S(=O)(=O)CCN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223255	0	38	-1.0	-46.69	337.20	1.45	-45.24
N#CC1=CC=C(S(=O)(=O)CCN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223255	1	38	-1.0	-46.72	337.27	1.47	-45.25
O=[N+]([O-])C1=CC=C(Cl)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223256	0	33	-1.0	-38.53	294.18	4.99	-33.54
O=[N+]([O-])C1=CC=C(Cl)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223256	1	34	0.0	-43.96	293.32	6.83	-37.13
O=[N+]([O-])C1=CC=C(Cl)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223256	1	34	0.0	-43.14	296.30	6.74	-36.40
O=[N+]([O-])C1=CC=C(Cl)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223256	1	33	-1.0	-38.56	294.25	5.00	-33.56
CC(C)N(C)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223257	0	53	0.0	-59.73	411.21	5.45	-54.28
CC(C)N(C)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223257	1	53	0.0	-60.28	410.71	5.47	-54.81
CC(C)N(C)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020223257	1	53	0.0	-59.66	411.13	5.43	-54.23
CC(C)N(C)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020223257	1	53	0.0	-60.26	410.64	5.46	-54.80
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=CC(Cl)=C1	REAL300020223258	0	39	-1.0	-42.33	325.19	4.02	-38.31
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(Cl)=C1	REAL300020223258	1	40	0.0	-47.34	329.37	6.49	-40.85
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(Cl)=C1	REAL300020223258	1	40	0.0	-47.95	327.77	6.35	-41.60
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(Cl)=C1	REAL300020223258	1	39	-1.0	-42.38	325.26	4.03	-38.35
COCCCS(=O)(=O)NCCN1CCC(C2=N[N-]N=N2)C1	REAL300020223259	0	42	-1.0	-46.57	349.60	-3.14	-49.71
COCCCS(=O)(=O)NCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223259	1	43	0.0	-62.53	354.50	-0.39	-62.92
COCCCS(=O)(=O)NCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223259	1	43	0.0	-63.56	354.47	-0.42	-63.98
COCCCS(=O)(=O)NCCN1CCC(C2=NN=N[N-]2)C1	REAL300020223259	1	42	-1.0	-46.59	349.66	-3.13	-49.72
COC1=CC(N2CCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)=CC(OC)=C1	REAL300020223260	0	47	-1.0	-54.28	368.06	2.05	-52.23
COC1=CC(N2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=CC(OC)=C1	REAL300020223260	1	48	0.0	-58.60	370.38	4.52	-54.08
COC1=CC(N2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=CC(OC)=C1	REAL300020223260	1	48	0.0	-61.08	370.52	4.39	-56.69
COC1=CC(N2CCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)=CC(OC)=C1	REAL300020223260	1	47	-1.0	-54.29	368.13	2.06	-52.23
N#CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OC(F)F)=C1	REAL300020223261	0	37	0.0	-54.38	310.83	5.77	-48.61
N#CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OC(F)F)=C1	REAL300020223261	1	37	0.0	-53.97	315.38	5.63	-48.34
N#CC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(OC(F)F)=C1	REAL300020223261	1	36	-1.0	-42.08	308.05	3.43	-38.65
N#CC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(OC(F)F)=C1	REAL300020223261	1	36	-1.0	-42.11	308.13	3.44	-38.67
CCC(C1=CC=C(Br)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223262	0	38	0.0	-48.77	314.15	7.49	-41.28
CCC(C1=CC=C(Br)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223262	1	38	0.0	-48.01	313.27	7.39	-40.62
CC(C1=CN(C2=CC=CC=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223263	0	40	-1.0	-52.71	327.08	3.64	-49.07
CC(C1=CN(C2=CC=CC=C2)N=N1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223263	1	41	0.0	-54.09	329.10	5.96	-48.13
CC(C1=CN(C2=CC=CC=C2)N=N1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223263	1	41	0.0	-43.30	329.38	6.00	-37.30
CC(C1=CN(C2=CC=CC=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223263	1	40	-1.0	-52.74	327.15	3.65	-49.09
O[C@H](COCC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223264	0	43	0.0	-48.42	345.83	3.47	-44.95
O[C@H](COCC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223264	1	43	0.0	-49.45	342.48	3.80	-45.65
C1=CC(C2CCCCC2)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223265	0	48	0.0	-44.68	358.76	9.39	-35.29
C1=CC(C2CCCCC2)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223265	1	48	0.0	-44.96	359.69	9.36	-35.60
OC(COC1=C2C=CNC2=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223266	0	44	0.0	-53.98	351.33	3.02	-50.96
OC(COC1=C2C=CNC2=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223266	1	44	0.0	-54.51	347.52	3.35	-51.16
O=S(=O)(CCN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Br)=C1	REAL300020223267	0	37	-1.0	-45.74	335.99	1.48	-44.26
O=S(=O)(CCN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Br)=C1	REAL300020223267	1	37	-1.0	-45.74	336.06	1.50	-44.24
CC1=C(C2=CC=C(Cl)C=C2)OC(C(C)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223268	0	43	-1.0	-42.12	368.22	3.37	-38.75
CC1=C(C2=CC=C(Cl)C=C2)OC(C(C)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223268	1	43	-1.0	-42.10	368.28	3.39	-38.71
CC1=C(C2=CC=C(Cl)C=C2)OC(C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223268	1	44	0.0	-44.24	371.23	5.79	-38.45
CC1=C(C2=CC=C(Cl)C=C2)OC(C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223268	1	44	0.0	-48.68	370.29	5.78	-42.90
CCS(=O)(=O)C1=CC=C2OC(CN3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020223269	0	42	-1.0	-48.55	354.63	-1.35	-49.90
CCS(=O)(=O)C1=CC=C2OC(CN3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020223269	1	42	-1.0	-48.53	354.70	-1.33	-49.86
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=C(F)C=CC=C1F	REAL300020223270	0	39	-1.0	-53.23	329.98	3.95	-49.28
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=C(F)C=CC=C1F	REAL300020223270	1	39	-1.0	-53.21	330.05	3.96	-49.25
CC1=CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=CC=C1F	REAL300020223271	0	39	-1.0	-39.67	334.10	2.64	-37.03
CC1=CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=CC=C1F	REAL300020223271	1	39	-1.0	-39.70	334.18	2.65	-37.05
FC(F)(F)C1=CC=C2OC(CN3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020223272	0	36	-1.0	-44.44	311.50	1.25	-43.19
FC(F)(F)C1=CC=C2OC(CN3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020223272	1	36	-1.0	-44.45	311.57	1.26	-43.19
CC(C1=CC=CC(Br)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223273	0	35	0.0	-44.98	295.13	6.82	-38.16
CC(C1=CC=CC(Br)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223273	1	35	0.0	-44.42	293.90	6.83	-37.59
CC1=C(C2=CC=C(Cl)C=C2)OC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223274	0	40	-1.0	-42.55	343.68	2.85	-39.70
CC1=C(C2=CC=C(Cl)C=C2)OC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223274	1	40	-1.0	-42.53	343.75	2.86	-39.67
CC(C1=NN=C(C2=CC=C(Cl)C=C2Cl)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223275	0	39	-1.0	-47.44	355.42	1.18	-46.26
CC(C1=NN=C(C2=CC=C(Cl)C=C2Cl)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223275	1	39	-1.0	-47.45	355.49	1.18	-46.27
BrC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223276	0	38	0.0	-44.06	345.24	7.00	-37.06
BrC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223276	1	38	0.0	-46.75	345.36	7.19	-39.56
BrC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020223276	1	37	-1.0	-38.15	342.54	4.44	-33.71
BrC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223276	1	37	-1.0	-38.16	342.60	4.46	-33.70
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OCOC2=C1	REAL300020223277	0	38	-1.0	-50.89	312.33	0.06	-50.83
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OCOC2=C1	REAL300020223277	1	38	-1.0	-50.89	312.40	0.07	-50.82
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=C(Cl)C=C(Cl)C=C1Cl	REAL300020223278	0	35	-1.0	-43.67	339.22	3.29	-40.38
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=C(Cl)C=C(Cl)C=C1Cl	REAL300020223278	1	35	-1.0	-43.69	339.29	3.31	-40.38
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(I)C=C1	REAL300020223279	0	35	-1.0	-45.05	315.61	2.67	-42.38
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(I)C=C1	REAL300020223279	1	35	-1.0	-45.03	315.69	2.67	-42.36
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300020223280	0	38	-1.0	-39.12	341.78	3.17	-35.95
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300020223280	1	38	-1.0	-39.10	341.86	3.18	-35.92
CCN1C2=C(C=CC=C2)C2=C1C=CC(NC(=O)CN1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020223281	0	51	-1.0	-52.59	407.94	6.13	-46.46
CCN1C2=C(C=CC=C2)C2=C1C=CC(NC(=O)CN1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020223281	1	51	-1.0	-52.65	408.01	6.15	-46.50
CC1=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL300020223282	0	41	-1.0	-47.58	330.63	2.94	-44.64
CC1=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020223282	1	41	-1.0	-47.57	330.70	2.94	-44.63
CC1=CC(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020223282	1	42	0.0	-52.17	333.85	5.38	-46.79
CC1=CC(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020223282	1	42	0.0	-51.88	333.69	5.37	-46.51
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1C(F)(F)F	REAL300020223283	0	38	-1.0	-40.02	336.64	3.25	-36.77
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1C(F)(F)F	REAL300020223283	1	38	-1.0	-40.06	336.71	3.26	-36.80
CC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020223284	0	38	-1.0	-41.57	322.35	2.78	-38.79
CC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223284	1	38	-1.0	-41.53	322.43	2.79	-38.74
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC(Cl)=C(Cl)C=C1Cl	REAL300020223285	0	35	-1.0	-42.85	331.96	2.99	-39.86
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC(Cl)=C(Cl)C=C1Cl	REAL300020223285	1	35	-1.0	-42.87	332.03	3.00	-39.87
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC2=CC=CC=C2C=C1	REAL300020223286	0	41	-1.0	-41.67	336.09	4.02	-37.65
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC2=CC=CC=C2C=C1	REAL300020223286	1	41	-1.0	-41.69	336.17	4.04	-37.65
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC2=CC=CC=C2C=C1	REAL300020223286	1	42	0.0	-49.84	338.14	6.32	-43.52
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC2=CC=CC=C2C=C1	REAL300020223286	1	42	0.0	-52.88	336.75	6.33	-46.55
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C2OCOC2=C1	REAL300020223287	0	41	-1.0	-46.50	338.12	0.18	-46.32
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C2OCOC2=C1	REAL300020223287	1	41	-1.0	-46.51	338.19	0.20	-46.31
CCC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223288	0	41	-1.0	-46.29	330.73	3.01	-43.28
CCC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223288	1	41	-1.0	-46.28	330.80	3.01	-43.27
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1	REAL300020223289	0	35	-1.0	-45.29	309.14	2.19	-43.10
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1	REAL300020223289	1	35	-1.0	-45.23	309.21	2.20	-43.03
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(SC(F)F)C=C1	REAL300020223290	0	39	-1.0	-48.97	337.64	2.83	-46.14
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(SC(F)F)C=C1	REAL300020223290	1	39	-1.0	-48.94	337.72	2.84	-46.10
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(F)C(Cl)=C1	REAL300020223291	0	35	-1.0	-42.18	312.52	2.32	-39.86
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(F)C(Cl)=C1	REAL300020223291	1	35	-1.0	-42.17	312.59	2.33	-39.84
CC(=O)C1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223292	0	40	-1.0	-54.11	327.26	1.88	-52.23
CC(=O)C1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223292	1	40	-1.0	-54.11	327.33	1.90	-52.21
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OC(F)(F)F)C=C1	REAL300020223293	0	39	-1.0	-44.84	333.84	1.35	-43.49
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OC(F)(F)F)C=C1	REAL300020223293	1	39	-1.0	-44.85	333.91	1.36	-43.49
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C(Cl)=C1	REAL300020223294	0	35	-1.0	-41.50	321.83	2.73	-38.77
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C(Cl)=C1	REAL300020223294	1	35	-1.0	-41.51	321.90	2.74	-38.77
CC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020223295	0	41	-1.0	-41.24	328.31	2.96	-38.28
CC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223295	1	41	-1.0	-41.26	328.38	2.98	-38.28
CC1=CC=C(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223295	1	42	0.0	-51.95	329.39	5.23	-46.72
CC1=CC=C(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223295	1	42	0.0	-48.63	330.08	5.31	-43.32
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020223296	0	49	-1.0	-48.66	399.10	4.85	-43.81
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020223296	1	49	-1.0	-48.68	399.17	4.85	-43.83
CS(=O)(=O)N1CCCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223297	0	43	0.0	-53.08	333.75	2.33	-50.75
CS(=O)(=O)N1CCCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223297	1	43	0.0	-58.73	334.33	2.40	-56.33
CS(=O)(=O)N1CCCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020223297	1	43	0.0	-53.03	333.68	2.33	-50.70
CS(=O)(=O)N1CCCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020223297	1	43	0.0	-58.67	334.25	2.40	-56.27
NS(=O)(=O)C1=CC=C(CCNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223298	0	46	-1.0	-54.59	387.74	-2.75	-57.34
NS(=O)(=O)C1=CC=C(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223298	1	47	0.0	-61.74	392.60	-0.11	-61.85
NS(=O)(=O)C1=CC=C(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223298	1	47	0.0	-57.23	393.33	-0.12	-57.35
NS(=O)(=O)C1=CC=C(CCNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223298	1	46	-1.0	-54.61	387.80	-2.74	-57.35
COC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC2=C1CCCC2	REAL300020223299	0	48	-1.0	-46.02	394.82	3.83	-42.19
COC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCC2	REAL300020223299	1	48	-1.0	-46.02	394.88	3.85	-42.17
COC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC2=C1CCC2	REAL300020223300	0	45	-1.0	-44.44	377.56	3.29	-41.15
COC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC2=C1CCC2	REAL300020223300	1	45	-1.0	-44.44	377.63	3.30	-41.14
COC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC(C)=C1C	REAL300020223301	0	44	-1.0	-43.98	372.31	2.64	-41.34
COC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC(C)=C1C	REAL300020223301	1	44	-1.0	-44.01	372.39	2.66	-41.35
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC(C)=C1C	REAL300020223302	0	47	-1.0	-43.76	394.17	3.57	-40.19
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC(C)=C1C	REAL300020223302	1	47	-1.0	-43.73	394.25	3.58	-40.15
N#CC1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC2=C1CCCCC2	REAL300020223303	0	46	-1.0	-42.92	371.96	3.95	-38.97
N#CC1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCCC2	REAL300020223303	1	46	-1.0	-42.92	372.02	3.96	-38.96
NC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC2=C1CCC2	REAL300020223304	0	43	-1.0	-45.97	359.65	-0.75	-46.72
NC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC2=C1CCC2	REAL300020223304	1	43	-1.0	-45.95	359.72	-0.73	-46.68
NC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC2=C1CCCC2	REAL300020223305	0	46	-1.0	-48.04	376.91	-0.22	-48.26
NC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCC2	REAL300020223305	1	46	-1.0	-48.03	376.97	-0.21	-48.24
N#CC1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020223306	0	33	-1.0	-43.38	295.79	0.89	-42.49
N#CC1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020223306	1	33	-1.0	-43.41	295.86	0.91	-42.50
O=C1N=C(CN2CCC(C3=N[N-]N=N3)C2)NC2=C1C(C1=CC=CC=C1)=CS2	REAL300020223307	0	43	-1.0	-57.38	366.25	4.54	-52.84
O=C1N=C(CN2CCC(C3=NN=N[N-]3)C2)NC2=C1C(C1=CC=CC=C1)=CS2	REAL300020223307	1	43	-1.0	-57.42	366.32	4.54	-52.88
O=C(CN1CCC(C2=N[N-]N=N2)C1)NNC(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300020223308	0	41	-1.0	-49.71	354.77	1.10	-48.61
O=C(CN1CCC(C2=NN=N[N-]2)C1)NNC(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300020223308	1	41	-1.0	-49.76	354.84	1.11	-48.65
O=C(CN1CCC(C2=N[N-]N=N2)C1)NNC(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300020223309	0	41	-1.0	-47.14	353.04	0.90	-46.24
O=C(CN1CCC(C2=NN=N[N-]2)C1)NNC(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300020223309	1	41	-1.0	-47.14	353.11	0.92	-46.22
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C2C=CC(Br)=CN12	REAL300020223310	0	37	0.0	-50.95	325.97	6.06	-44.89
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C2C=CC(Br)=CN12	REAL300020223310	1	37	0.0	-51.16	322.23	6.55	-44.61
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CC(=O)NC2=CC=CC=C21	REAL300020223311	0	40	-1.0	-47.46	323.27	0.94	-46.52
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CC(=O)NC2=CC=CC=C21	REAL300020223311	1	40	-1.0	-47.48	323.35	0.95	-46.53
CC1=CC=C(NC(=O)CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223312	0	48	-1.0	-54.19	385.54	2.90	-51.29
CC1=CC=C(NC(=O)CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223312	1	48	-1.0	-54.23	385.61	2.91	-51.32
CC1=CC=C(NC(=O)CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223312	1	49	0.0	-52.34	390.15	5.53	-46.81
CC1=CC=C(NC(=O)CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223312	1	49	0.0	-49.57	391.07	5.54	-44.03
O=C(CN1CCC(C2=N[N-]N=N2)C1)NNC(=O)C1=CC=CC=C1	REAL300020223313	0	39	-1.0	-46.31	324.87	0.23	-46.08
O=C(CN1CCC(C2=NN=N[N-]2)C1)NNC(=O)C1=CC=CC=C1	REAL300020223313	1	39	-1.0	-46.38	324.94	0.25	-46.13
COC1=CC=C(C2=NOC(C(C)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223314	0	43	-1.0	-43.69	356.01	1.70	-41.99
COC1=CC=C(C2=NOC(C(C)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223314	1	43	-1.0	-43.70	356.09	1.72	-41.98
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(C(F)(F)F)C=C1	REAL300020223315	0	38	-1.0	-45.59	326.55	2.57	-43.02
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(C(F)(F)F)C=C1	REAL300020223315	1	38	-1.0	-45.54	326.62	2.57	-42.97
COC(=O)C1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223316	0	41	-1.0	-48.36	341.96	2.24	-46.12
COC(=O)C1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223316	1	41	-1.0	-48.35	342.03	2.24	-46.11
CCOC(=O)C1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223317	0	44	-1.0	-48.34	363.82	3.16	-45.18
CCOC(=O)C1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223317	1	44	-1.0	-48.34	363.90	3.17	-45.17
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1Cl	REAL300020223318	0	35	-1.0	-42.16	319.29	2.74	-39.42
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1Cl	REAL300020223318	1	35	-1.0	-42.23	319.36	2.74	-39.49
CC1=CC(C)=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020223319	0	44	-1.0	-46.96	346.17	3.96	-43.00
CC1=CC(C)=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020223319	1	44	-1.0	-47.01	346.24	3.98	-43.03
COC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020223320	0	43	-1.0	-43.18	348.39	0.96	-42.22
COC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223320	1	43	-1.0	-43.16	348.46	0.97	-42.19
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=C(Cl)C=CC=C1Cl	REAL300020223321	0	35	-1.0	-45.87	322.50	2.79	-43.08
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=C(Cl)C=CC=C1Cl	REAL300020223321	1	35	-1.0	-45.85	322.56	2.81	-43.04
CC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020223322	0	38	-1.0	-41.43	326.50	2.91	-38.52
CC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020223322	1	38	-1.0	-41.46	326.57	2.92	-38.54
COC(=O)C1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223323	0	41	-1.0	-46.46	338.86	2.63	-43.83
COC(=O)C1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223323	1	41	-1.0	-46.43	338.94	2.63	-43.80
CCOC(=O)C1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223324	0	44	-1.0	-47.19	359.59	3.47	-43.72
CCOC(=O)C1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223324	1	44	-1.0	-47.21	359.66	3.47	-43.74
CCOC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223325	0	42	-1.0	-47.51	339.20	1.78	-45.73
CCOC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223325	1	42	-1.0	-47.53	339.28	1.79	-45.74
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1SC1=CC=CC=C1	REAL300020223326	0	46	-1.0	-46.05	385.26	5.85	-40.20
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1SC1=CC=CC=C1	REAL300020223326	1	46	-1.0	-46.06	385.34	5.86	-40.20
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC([N+](=O)[O-])=C1	REAL300020223327	0	37	-1.0	-48.70	318.12	2.42	-46.28
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC([N+](=O)[O-])=C1	REAL300020223327	1	37	-1.0	-48.68	318.20	2.43	-46.25
CC(=O)NC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223328	0	42	-1.0	-52.51	344.38	0.45	-52.06
CC(=O)NC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223328	1	42	-1.0	-52.47	344.45	0.46	-52.01
CCOC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020223329	0	44	-1.0	-43.14	363.63	2.88	-40.26
CCOC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223329	1	44	-1.0	-43.21	363.71	2.88	-40.33
COC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020223330	0	41	-1.0	-42.70	339.27	1.78	-40.92
COC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223330	1	41	-1.0	-42.74	339.34	1.79	-40.95
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300020223331	0	37	-1.0	-41.75	329.01	3.16	-38.59
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300020223331	1	37	-1.0	-41.76	329.08	3.16	-38.60
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C([N+](=O)[O-])C=C1	REAL300020223332	0	37	-1.0	-47.86	316.03	2.24	-45.62
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C([N+](=O)[O-])C=C1	REAL300020223332	1	37	-1.0	-47.86	316.10	2.24	-45.62
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020223333	0	46	-1.0	-48.16	378.85	4.60	-43.56
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020223333	1	46	-1.0	-48.18	378.93	4.61	-43.57
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N=NC2=CC=CC=C2)C=C1	REAL300020223334	0	47	-1.0	-52.99	390.36	3.94	-49.05
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N=NC2=CC=CC=C2)C=C1	REAL300020223334	1	47	-1.0	-52.99	390.44	3.94	-49.05
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020223335	0	46	-1.0	-41.30	378.43	4.60	-36.70
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020223335	1	46	-1.0	-41.26	378.51	4.62	-36.64
COC1=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020223336	0	43	-1.0	-46.94	344.92	0.07	-46.87
COC1=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020223336	1	43	-1.0	-46.94	344.99	0.09	-46.85
CN1C(=O)C(C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C(N)N(C)C1=O	REAL300020223337	0	41	-1.0	-46.12	326.50	0.62	-45.50
CN1C(=O)C(C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C(N)N(C)C1=O	REAL300020223337	1	41	-1.0	-46.10	326.57	0.62	-45.48
CN1C(=O)C(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(N)N(C)C1=O	REAL300020223337	1	42	0.0	-46.45	328.37	3.10	-43.35
CN1C(=O)C(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(N)N(C)C1=O	REAL300020223337	1	42	0.0	-45.31	328.07	3.10	-42.21
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223338	0	41	-1.0	-45.75	344.59	1.66	-44.09
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223338	1	41	-1.0	-45.69	344.66	1.67	-44.02
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300020223339	0	37	-1.0	-47.95	330.31	2.81	-45.14
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300020223339	1	37	-1.0	-47.95	330.38	2.82	-45.13
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020223340	0	37	-1.0	-45.14	312.28	2.64	-42.50
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020223340	1	37	-1.0	-45.16	312.35	2.64	-42.52
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(F)C=C1	REAL300020223341	0	38	-1.0	-44.88	320.18	1.79	-43.09
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(F)C=C1	REAL300020223341	1	38	-1.0	-44.92	320.25	1.81	-43.11
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300020223342	0	37	-1.0	-43.42	329.44	2.88	-40.54
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300020223342	1	37	-1.0	-43.41	329.51	2.89	-40.52
COC(=O)C1=CC=C(C)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223343	0	44	-1.0	-53.54	359.52	2.96	-50.58
COC(=O)C1=CC=C(C)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223343	1	44	-1.0	-53.51	359.59	2.97	-50.54
N#CC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223344	0	36	-1.0	-40.94	326.13	2.57	-38.37
N#CC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223344	1	36	-1.0	-40.92	326.20	2.58	-38.34
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2	REAL300020223345	0	53	-1.0	-58.02	384.99	2.89	-55.13
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2	REAL300020223345	1	53	-1.0	-57.96	385.06	2.90	-55.06
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C2SC=CN21	REAL300020223346	0	34	0.0	-50.91	296.40	4.68	-46.23
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C2SC=CN21	REAL300020223346	1	34	0.0	-52.47	292.98	5.04	-47.43
O=C1C=C(CN2CCC(C3=N[N-]N=N3)C2)N=C2SC=CN21	REAL300020223346	1	33	-1.0	-46.03	285.46	2.12	-43.91
O=C1C=C(CN2CCC(C3=NN=N[N-]3)C2)N=C2SC=CN21	REAL300020223346	1	33	-1.0	-46.04	285.53	2.13	-43.91
CC1=CN2C(=O)C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020223347	0	40	0.0	-51.07	326.08	6.11	-44.96
CC1=CN2C(=O)C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020223347	1	40	0.0	-50.96	322.34	6.59	-44.37
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(=O)NCC1=CC=CC=C1	REAL300020223348	0	42	-1.0	-53.49	347.61	1.61	-51.88
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(=O)NCC1=CC=CC=C1	REAL300020223348	1	42	-1.0	-53.49	347.67	1.63	-51.86
COC(=O)C1=CC(C(=O)OC)=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223349	0	47	-1.0	-49.39	395.79	2.77	-46.62
COC(=O)C1=CC(C(=O)OC)=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223349	1	47	-1.0	-49.41	395.86	2.79	-46.62
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(=O)NC1CCCCC1	REAL300020223350	0	45	-1.0	-54.67	349.96	1.30	-53.37
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(=O)NC1CCCCC1	REAL300020223350	1	45	-1.0	-54.68	350.03	1.32	-53.36
CCOC(=O)C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020223351	0	44	0.0	-40.90	362.84	7.63	-33.27
CCOC(=O)C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020223351	1	44	0.0	-44.57	358.99	7.57	-37.00
COC(=O)C1=C(C)C2=C(NC(CN3CCC(C4=N[N-]N=N4)C3)=NC2=O)S1	REAL300020223352	0	42	-1.0	-51.45	359.09	2.06	-49.39
COC(=O)C1=C(C)C2=C(NC(CN3CCC(C4=NN=N[N-]4)C3)=NC2=O)S1	REAL300020223352	1	42	-1.0	-51.40	359.15	2.08	-49.32
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(Cl)C=C1	REAL300020223353	0	38	-1.0	-44.55	330.50	2.24	-42.31
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(Cl)C=C1	REAL300020223353	1	38	-1.0	-44.56	330.57	2.26	-42.30
CC1=CC=CC(C)=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223354	0	41	-1.0	-46.81	324.77	3.31	-43.50
CC1=CC=CC(C)=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223354	1	41	-1.0	-46.77	324.85	3.32	-43.45
CC1=CC=C(Cl)C=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223355	0	38	-1.0	-46.75	321.49	2.82	-43.93
CC1=CC=C(Cl)C=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223355	1	38	-1.0	-46.80	321.55	2.83	-43.97
COC1=CC=C(OC)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223356	0	43	-1.0	-49.12	343.44	0.11	-49.01
COC1=CC=C(OC)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223356	1	43	-1.0	-49.13	343.51	0.12	-49.01
CC(C)(C)C1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223357	0	47	-1.0	-47.29	363.97	3.92	-43.37
CC(C)(C)C1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223357	1	47	-1.0	-47.31	364.04	3.92	-43.39
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1Cl	REAL300020223358	0	35	-1.0	-44.25	302.55	2.22	-42.03
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1Cl	REAL300020223358	1	35	-1.0	-44.23	302.62	2.23	-42.00
COC1=CC(Cl)=C(C)C=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223359	0	42	-1.0	-44.14	349.41	1.93	-42.21
COC1=CC(Cl)=C(C)C=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223359	1	42	-1.0	-44.14	349.47	1.94	-42.20
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(F)C(F)=C1	REAL300020223360	0	35	-1.0	-43.34	302.64	1.87	-41.47
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(F)C(F)=C1	REAL300020223360	1	35	-1.0	-43.34	302.71	1.88	-41.46
N#CC1=CC=C(Cl)C=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223361	0	36	-1.0	-43.27	322.03	2.46	-40.81
N#CC1=CC=C(Cl)C=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223361	1	36	-1.0	-43.27	322.10	2.48	-40.79
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1OC1=CC=CC=C1	REAL300020223362	0	46	-1.0	-46.21	375.92	4.63	-41.58
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1OC1=CC=CC=C1	REAL300020223362	1	46	-1.0	-46.21	375.99	4.63	-41.58
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223363	0	41	-1.0	-41.70	332.26	4.16	-37.54
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223363	1	41	-1.0	-41.73	332.33	4.17	-37.56
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223363	1	42	0.0	-52.98	333.27	6.42	-46.56
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223363	1	42	0.0	-53.57	334.26	6.45	-47.12
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223364	0	48	-1.0	-46.87	370.01	0.23	-46.64
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223364	1	48	-1.0	-46.96	370.07	0.25	-46.71
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223364	1	49	0.0	-49.95	375.44	2.85	-47.10
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223364	1	49	0.0	-49.65	375.88	2.85	-46.80
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(F)C=C1F	REAL300020223365	0	35	-1.0	-42.41	299.91	1.77	-40.64
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(F)C=C1F	REAL300020223365	1	35	-1.0	-42.38	299.99	1.77	-40.61
COC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223366	0	39	-1.0	-47.70	317.35	0.86	-46.84
COC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223366	1	39	-1.0	-47.66	317.42	0.86	-46.80
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC(Cl)=CC=C1Cl	REAL300020223367	0	35	-1.0	-44.06	316.78	2.53	-41.53
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC(Cl)=CC=C1Cl	REAL300020223367	1	35	-1.0	-44.03	316.85	2.54	-41.49
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1F	REAL300020223368	0	35	-1.0	-42.24	314.79	2.32	-39.92
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1F	REAL300020223368	1	35	-1.0	-42.29	314.87	2.33	-39.96
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(F)C=C1Cl	REAL300020223369	0	35	-1.0	-42.37	308.97	2.29	-40.08
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(F)C=C1Cl	REAL300020223369	1	35	-1.0	-42.38	309.04	2.30	-40.08
COC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223370	0	39	-1.0	-40.70	335.45	1.60	-39.10
COC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223370	1	39	-1.0	-40.72	335.52	1.61	-39.11
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223371	0	46	-1.0	-45.43	385.27	-0.24	-45.67
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223371	1	46	-1.0	-45.45	385.35	-0.23	-45.68
CC1=CC=C2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223372	0	40	0.0	-58.30	324.15	7.68	-50.62
CC1=CC=C2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223372	1	40	0.0	-57.61	322.72	7.63	-49.98
COC1=CC=C2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223373	0	41	0.0	-61.47	332.01	6.30	-55.17
COC1=CC=C2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223373	1	41	0.0	-60.66	330.61	6.26	-54.40
CC(C)CN1C(=O)N(C)C(=O)C(C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020223374	0	50	-1.0	-45.44	382.82	2.66	-42.78
CC(C)CN1C(=O)N(C)C(=O)C(C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223374	1	50	-1.0	-45.42	382.90	2.67	-42.75
CC(C)CN1C(=O)N(C)C(=O)C(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223374	1	51	0.0	-46.72	385.41	5.22	-41.50
CC(C)CN1C(=O)N(C)C(=O)C(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223374	1	51	0.0	-45.22	382.98	5.23	-39.99
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(=O)NC1CCCC1	REAL300020223375	0	42	-1.0	-54.36	331.72	0.77	-53.59
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(=O)NC1CCCC1	REAL300020223375	1	42	-1.0	-54.36	331.78	0.78	-53.58
CC(C(=O)NC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223376	0	38	-1.0	-46.58	325.50	2.92	-43.66
CC(C(=O)NC1=CC=C(Br)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223376	1	39	0.0	-56.41	329.58	5.12	-51.29
CC(C(=O)NC1=CC=C(Br)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223376	1	39	0.0	-48.39	327.61	5.17	-43.22
CC(C(=O)NC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223376	1	38	-1.0	-46.65	325.57	2.93	-43.72
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223377	0	44	-1.0	-58.01	362.63	2.33	-55.68
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223377	1	44	-1.0	-58.03	362.70	2.34	-55.69
CC(=O)C1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223378	0	43	-1.0	-52.50	346.61	2.80	-49.70
CC(=O)C1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223378	1	43	-1.0	-52.53	346.68	2.82	-49.71
CC(=O)C1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223378	1	44	0.0	-63.23	349.35	4.91	-58.32
CC(=O)C1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223378	1	44	0.0	-54.91	348.86	5.05	-49.86
CC(C(=O)NC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223379	0	40	-1.0	-56.54	333.55	2.82	-53.72
CC(C(=O)NC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223379	1	40	-1.0	-56.55	333.61	2.83	-53.72
CC(C(=O)NC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020223380	0	38	-1.0	-37.31	336.75	3.36	-33.95
CC(C(=O)NC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020223380	1	38	-1.0	-37.31	336.82	3.38	-33.93
CC(=O)C1=CC=CC(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223381	0	43	-1.0	-58.19	346.63	2.56	-55.63
CC(=O)C1=CC=CC(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223381	1	43	-1.0	-58.17	346.70	2.57	-55.60
CC(=O)C1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223381	1	44	0.0	-57.50	351.15	5.14	-52.36
CC(=O)C1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223381	1	44	0.0	-49.47	350.67	5.02	-44.45
CC(C(=O)NC1=CC=CC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020223382	0	38	-1.0	-46.40	335.79	3.36	-43.04
CC(C(=O)NC1=CC=CC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020223382	1	38	-1.0	-46.41	335.86	3.37	-43.04
CC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020223383	0	40	-1.0	-38.57	348.22	3.52	-35.05
CC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020223383	1	40	-1.0	-38.58	348.29	3.54	-35.04
CC(C(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223384	0	49	-1.0	-49.67	393.10	5.10	-44.57
CC(C(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223384	1	50	0.0	-59.07	397.27	7.37	-51.70
CC(C(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223384	1	50	0.0	-50.37	395.12	7.39	-42.98
CC(C(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223384	1	49	-1.0	-49.66	393.17	5.12	-44.54
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC2=C1CCC2	REAL300020223385	0	48	-1.0	-44.16	399.42	4.22	-39.94
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC2=C1CCC2	REAL300020223385	1	48	-1.0	-44.16	399.49	4.23	-39.93
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300020223386	0	47	-1.0	-44.31	388.20	5.08	-39.23
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300020223386	1	47	-1.0	-44.31	388.27	5.08	-39.23
CCOC(=O)C1=C(C)NC(C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020223387	0	46	-1.0	-46.23	376.57	3.72	-42.51
CCOC(=O)C1=C(C)NC(C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223387	1	46	-1.0	-46.22	376.64	3.74	-42.48
CCOC(=O)C1=C(C)NC(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223387	1	47	0.0	-53.26	381.73	6.28	-46.98
CCOC(=O)C1=C(C)NC(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223387	1	47	0.0	-53.06	382.09	6.29	-46.77
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223388	0	40	-1.0	-53.44	332.97	2.98	-50.46
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223388	1	40	-1.0	-53.41	333.03	3.00	-50.41
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1I	REAL300020223389	0	35	-1.0	-43.49	311.32	2.82	-40.67
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1I	REAL300020223389	1	35	-1.0	-43.50	311.39	2.82	-40.68
COC1=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020223390	0	47	-1.0	-50.05	379.76	0.71	-49.34
COC1=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020223390	1	47	-1.0	-50.07	379.83	0.71	-49.36
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223391	0	40	-1.0	-45.71	331.97	2.99	-42.72
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223391	1	40	-1.0	-45.71	332.05	3.00	-42.71
CC1=CC=CC([N+](=O)[O-])=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223392	0	40	-1.0	-45.61	327.14	3.22	-42.39
CC1=CC=CC([N+](=O)[O-])=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223392	1	40	-1.0	-45.62	327.21	3.24	-42.38
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(C2=CC=CC=C2)C=C1	REAL300020223393	0	45	-1.0	-49.40	361.43	4.99	-44.41
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(C2=CC=CC=C2)C=C1	REAL300020223393	1	45	-1.0	-49.37	361.50	5.00	-44.37
COC1=CC2=C(C=C1NC(=O)CN1CCC(C3=N[N-]N=N3)C1)OC1=C2C=CC=C1	REAL300020223394	0	48	-1.0	-52.91	390.61	3.72	-49.19
COC1=CC2=C(C=C1NC(=O)CN1CCC(C3=NN=N[N-]3)C1)OC1=C2C=CC=C1	REAL300020223394	1	48	-1.0	-52.95	390.69	3.72	-49.23
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300020223395	0	37	-1.0	-43.66	325.51	2.89	-40.77
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300020223395	1	37	-1.0	-43.64	325.57	2.91	-40.73
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(I)=C1	REAL300020223396	0	35	-1.0	-44.62	313.75	2.57	-42.05
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(I)=C1	REAL300020223396	1	35	-1.0	-44.67	313.82	2.58	-42.09
CC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)N(C)C	REAL300020223397	0	49	-1.0	-45.95	401.60	0.71	-45.24
CC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)N(C)C	REAL300020223397	1	49	-1.0	-45.93	401.67	0.72	-45.21
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223398	0	45	-1.0	-45.16	363.11	5.45	-39.71
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223398	1	46	0.0	-51.01	367.77	8.08	-42.93
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223398	1	46	0.0	-50.38	366.71	8.01	-42.37
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223398	1	45	-1.0	-45.17	363.17	5.46	-39.71
BrC1=CC2=CC=CN=C2C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223399	0	37	0.0	-41.67	319.54	6.90	-34.77
BrC1=CC2=CC=CN=C2C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223399	1	37	0.0	-44.37	320.34	6.74	-37.63
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1CC1=CC=CC=C1	REAL300020223400	0	48	-1.0	-48.27	382.02	6.42	-41.85
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1CC1=CC=CC=C1	REAL300020223400	1	48	-1.0	-48.25	382.09	6.43	-41.82
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2NC(=O)NC2=C1	REAL300020223401	0	39	-1.0	-51.92	322.05	-1.78	-53.70
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2NC(=O)NC2=C1	REAL300020223401	1	39	-1.0	-51.96	322.12	-1.77	-53.73
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OC(F)F)C=C1	REAL300020223402	0	39	-1.0	-48.12	327.09	1.14	-46.98
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OC(F)F)C=C1	REAL300020223402	1	39	-1.0	-48.13	327.17	1.14	-46.99
NS(=O)(=O)C1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223403	0	40	-1.0	-53.58	341.99	-3.47	-57.05
NS(=O)(=O)C1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223403	1	40	-1.0	-53.60	342.06	-3.47	-57.07
O=S1(=O)CCC(O)(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223404	0	39	0.0	-58.05	297.41	-0.45	-58.50
O=S1(=O)CCC(O)(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223404	1	39	0.0	-59.88	296.98	-0.32	-60.20
COC1=CC=C(Br)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223405	0	35	-1.0	-39.71	306.03	3.05	-36.66
COC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223405	1	36	0.0	-42.82	301.51	5.74	-37.08
COC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223405	1	36	0.0	-42.72	306.14	5.58	-37.14
COC1=CC=C(Br)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223405	1	35	-1.0	-39.76	306.11	3.06	-36.70
CC(C)C1=CC=C(CN2CCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020223406	0	59	-1.0	-43.30	445.64	5.11	-38.19
CC(C)C1=CC=C(CN2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223406	1	60	0.0	-46.02	448.42	7.44	-38.58
CC(C)C1=CC=C(CN2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223406	1	60	0.0	-45.44	447.82	7.29	-38.15
CC(C)C1=CC=C(CN2CCN(C(=O)CN3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223406	1	59	-1.0	-43.33	445.71	5.12	-38.21
COC1=CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=CC(OC)=C1OC	REAL300020223407	0	48	-1.0	-42.69	399.25	1.09	-41.60
COC1=CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=CC(OC)=C1OC	REAL300020223407	1	48	-1.0	-42.68	399.32	1.10	-41.58
CC1=NC(C2=CC=C(C)C=C2NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=NN1	REAL300020223408	0	47	-1.0	-45.21	383.40	3.75	-41.46
CC1=NC(C2=CC=C(C)C=C2NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020223408	1	47	-1.0	-45.23	383.47	3.77	-41.46
CC1=NC(C2=CC=C(C)C=C2NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020223408	1	48	0.0	-51.28	384.02	6.02	-45.26
CC1=NC(C2=CC=C(C)C=C2NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020223408	1	48	0.0	-49.25	384.72	6.11	-43.14
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1CCCCC1	REAL300020223409	0	47	-1.0	-44.41	354.34	2.45	-41.96
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1CCCCC1	REAL300020223409	1	48	0.0	-45.53	359.50	5.09	-40.44
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1CCCCC1	REAL300020223409	1	48	0.0	-48.49	359.00	5.10	-43.39
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1CCCCC1	REAL300020223409	1	47	-1.0	-44.40	354.41	2.47	-41.93
CCOCC1=CC=CC=C1CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223410	0	48	-1.0	-44.90	385.27	2.54	-42.36
CCOCC1=CC=CC=C1CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223410	1	48	-1.0	-44.91	385.34	2.55	-42.36
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223411	0	55	-1.0	-40.41	384.82	5.76	-34.65
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223411	1	56	0.0	-44.46	386.44	8.04	-36.42
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223411	1	56	0.0	-48.83	385.81	8.06	-40.77
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223411	1	55	-1.0	-40.38	384.89	5.77	-34.61
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1CC2=CC=CC=C2O1	REAL300020223412	0	43	-1.0	-44.78	347.65	1.50	-43.28
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1CC2=CC=CC=C2O1	REAL300020223412	1	43	-1.0	-44.75	347.72	1.51	-43.24
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1(C2=CC=CC=C2)CCCCC1	REAL300020223413	0	54	-1.0	-43.96	398.03	4.90	-39.06
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1(C2=CC=CC=C2)CCCCC1	REAL300020223413	1	54	-1.0	-43.98	398.10	4.91	-39.07
CC(C)N(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020223414	0	48	0.0	-43.93	349.61	6.45	-37.48
CC(C)N(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020223414	1	48	0.0	-43.73	349.87	6.48	-37.25
CC(C)N(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300020223414	1	47	-1.0	-43.82	345.52	3.78	-40.04
CC(C)N(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020223414	1	47	-1.0	-43.81	345.58	3.79	-40.02
CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020223415	0	45	-1.0	-40.07	379.25	2.51	-37.56
CC(NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020223415	1	46	0.0	-51.93	380.29	4.81	-47.12
CC(NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020223415	1	46	0.0	-51.84	380.20	4.82	-47.02
CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020223415	1	45	-1.0	-40.11	379.32	2.52	-37.59
CC(C)C1=CC=C(OCCNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223416	0	51	-1.0	-45.31	402.15	3.06	-42.25
CC(C)C1=CC=C(OCCNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223416	1	51	-1.0	-45.31	402.22	3.08	-42.23
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC(COCC2=CC=CO2)=C1	REAL300020223417	0	52	-1.0	-49.05	429.64	3.36	-45.69
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC(COCC2=CC=CO2)=C1	REAL300020223417	1	52	-1.0	-49.03	429.71	3.37	-45.66
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC=C1OC1CCCC1	REAL300020223418	0	52	-1.0	-48.41	406.97	3.96	-44.45
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC=C1OC1CCCC1	REAL300020223418	1	52	-1.0	-48.37	407.04	3.97	-44.40
CCCOC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223419	0	48	-1.0	-45.97	386.62	2.75	-43.22
CCCOC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223419	1	48	-1.0	-46.02	386.70	2.76	-43.26
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020223420	0	45	-1.0	-45.59	388.13	6.27	-39.32
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020223420	1	46	0.0	-47.81	390.94	8.58	-39.23
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020223420	1	46	0.0	-48.60	391.11	8.56	-40.04
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020223420	1	45	-1.0	-45.58	388.20	6.28	-39.30
CC(C)(C)C(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL300020223421	0	47	-1.0	-42.95	365.67	3.20	-39.75
CC(C)(C)C(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300020223421	1	47	-1.0	-42.91	365.74	3.21	-39.70
CCCCOC1=CC=CC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223422	0	51	-1.0	-45.11	406.41	3.33	-41.78
CCCCOC1=CC=CC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223422	1	51	-1.0	-45.10	406.48	3.34	-41.76
CC1CCCCC1OCCNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223423	0	51	-1.0	-47.26	388.95	2.25	-45.01
CC1CCCCC1OCCNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223423	1	51	-1.0	-47.29	389.02	2.27	-45.02
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCCOC1=CC=CC=C1F	REAL300020223424	0	45	-1.0	-48.05	369.76	1.95	-46.10
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCOC1=CC=CC=C1F	REAL300020223424	1	46	0.0	-50.53	374.91	4.58	-45.95
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCOC1=CC=CC=C1F	REAL300020223424	1	46	0.0	-53.71	374.37	4.58	-49.13
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCCOC1=CC=CC=C1F	REAL300020223424	1	45	-1.0	-48.10	369.82	1.96	-46.14
CC(C)(C)CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020223425	0	53	-1.0	-47.41	397.96	4.21	-43.20
CC(C)(C)CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020223425	1	53	-1.0	-47.36	398.04	4.22	-43.14
CCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(C)C1=CC=C(F)C=C1	REAL300020223426	0	48	0.0	-50.94	366.24	7.46	-43.48
CCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(C)C1=CC=C(F)C=C1	REAL300020223426	1	48	0.0	-47.73	366.78	7.59	-40.14
CCN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C(C)C1=CC=C(F)C=C1	REAL300020223426	1	47	-1.0	-50.10	363.02	5.09	-45.01
CCN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C(C)C1=CC=C(F)C=C1	REAL300020223426	1	47	-1.0	-50.12	363.10	5.11	-45.01
CC1=CC(C)=C(CCNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020223427	0	50	-1.0	-46.41	388.07	3.96	-42.45
CC1=CC(C)=C(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020223427	1	51	0.0	-48.45	394.14	6.64	-41.81
CC1=CC(C)=C(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020223427	1	51	0.0	-52.51	392.67	6.59	-45.92
CC1=CC(C)=C(CCNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020223427	1	50	-1.0	-46.47	388.13	3.98	-42.49
CCOC1=CC=CC=C1C(CC)NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223428	0	51	-1.0	-46.99	392.53	3.31	-43.68
CCOC1=CC=CC=C1C(CC)NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223428	1	51	-1.0	-46.96	392.60	3.32	-43.64
CN(CC1=CC(Br)=CS1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223429	0	38	-1.0	-44.65	342.94	3.51	-41.14
CN(CC1=CC(Br)=CS1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223429	1	38	-1.0	-44.63	343.01	3.51	-41.12
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1=CC=C(OC(F)(F)F)C=C1	REAL300020223430	0	45	-1.0	-46.85	379.56	2.08	-44.77
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(OC(F)(F)F)C=C1	REAL300020223430	1	46	0.0	-54.32	384.36	4.73	-49.59
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(OC(F)(F)F)C=C1	REAL300020223430	1	46	0.0	-49.82	385.15	4.71	-45.11
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=C(OC(F)(F)F)C=C1	REAL300020223430	1	45	-1.0	-46.93	379.62	2.10	-44.83
COCCOC1=CC=CC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223431	0	49	-1.0	-47.72	397.04	1.02	-46.70
COCCOC1=CC=CC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223431	1	49	-1.0	-47.65	397.11	1.03	-46.62
CC1=CC=CC(C)=C1OCCNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223432	0	48	-1.0	-45.41	383.18	2.70	-42.71
CC1=CC=CC(C)=C1OCCNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223432	1	48	-1.0	-45.41	383.25	2.71	-42.70
COC1=CC=C(Cl)C=C1CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223433	0	42	-1.0	-46.25	358.83	1.55	-44.70
COC1=CC=C(Cl)C=C1CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223433	1	42	-1.0	-46.26	358.91	1.55	-44.71
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=C(F)C=C1)C1CCCC1	REAL300020223434	0	51	-1.0	-46.23	402.08	5.55	-40.68
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=C(F)C=C1)C1CCCC1	REAL300020223434	1	51	-1.0	-46.25	402.15	5.55	-40.70
COCCOC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223435	0	49	-1.0	-48.62	398.75	1.22	-47.40
COCCOC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223435	1	49	-1.0	-48.63	398.82	1.24	-47.39
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(F)C=C1C(F)(F)F	REAL300020223436	0	41	-1.0	-47.88	350.21	3.18	-44.70
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(F)C=C1C(F)(F)F	REAL300020223436	1	41	-1.0	-47.88	350.29	3.19	-44.69
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCCC1CCCCC1	REAL300020223437	0	50	-1.0	-44.26	375.84	3.24	-41.02
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCCC1CCCCC1	REAL300020223437	1	51	0.0	-49.47	380.64	5.89	-43.58
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCCC1CCCCC1	REAL300020223437	1	51	0.0	-48.55	380.49	5.88	-42.67
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCCC1CCCCC1	REAL300020223437	1	50	-1.0	-44.31	375.90	3.26	-41.05
CC(C)(C)C1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223438	0	58	0.0	-46.06	435.16	9.97	-36.09
CC(C)(C)C1=CC=C(C2CCCN2C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223438	1	58	0.0	-48.88	434.55	9.92	-38.96
CC(C)(C)C1=CC=C(C2CCCN2C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223438	1	57	-1.0	-45.66	432.39	7.59	-38.07
CC(C)(C)C1=CC=C(C2CCCN2C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223438	1	57	-1.0	-45.66	432.47	7.61	-38.05
CC(C)OC1=CC=CC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223439	0	48	-1.0	-44.73	381.34	2.38	-42.35
CC(C)OC1=CC=CC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223439	1	48	-1.0	-44.74	381.40	2.39	-42.35
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CC=C1)C1CCCC1	REAL300020223440	0	51	-1.0	-44.29	387.76	4.76	-39.53
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CC=C1)C1CCCC1	REAL300020223440	1	51	-1.0	-44.30	387.82	4.77	-39.53
CN(CCCOC1=CC=C(F)C=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223441	0	48	-1.0	-48.02	388.03	4.03	-43.99
CN(CCCOC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223441	1	49	0.0	-51.53	392.38	6.65	-44.88
CN(CCCOC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223441	1	49	0.0	-51.80	392.43	6.66	-45.14
CN(CCCOC1=CC=C(F)C=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223441	1	48	-1.0	-48.04	388.10	4.05	-43.99
COCC1=CC=CC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223442	0	45	-1.0	-45.64	367.12	1.24	-44.40
COCC1=CC=CC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223442	1	45	-1.0	-45.66	367.19	1.26	-44.40
CCCOCC1=CC=CC=C1CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223443	0	51	-1.0	-44.86	406.75	3.33	-41.53
CCCOCC1=CC=CC=C1CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223443	1	51	-1.0	-44.85	406.83	3.34	-41.51
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC(OCC(F)(F)F)=C1	REAL300020223444	0	45	-1.0	-47.33	382.99	2.21	-45.12
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC(OCC(F)(F)F)=C1	REAL300020223444	1	45	-1.0	-47.36	383.06	2.22	-45.14
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1=CC=CC(Cl)=C1Cl	REAL300020223445	0	41	-1.0	-42.85	366.18	3.52	-39.33
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=CC(Cl)=C1Cl	REAL300020223445	1	41	-1.0	-42.85	366.25	3.54	-39.31
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=CC(Cl)=C1Cl	REAL300020223445	1	42	0.0	-49.00	366.52	5.75	-43.25
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=CC(Cl)=C1Cl	REAL300020223445	1	42	0.0	-48.95	368.05	5.79	-43.16
COC1=CC(C)=C(C(C)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020223446	0	52	-1.0	-47.81	403.91	2.12	-45.69
COC1=CC(C)=C(C(C)NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223446	1	53	0.0	-54.62	407.28	4.71	-49.91
COC1=CC(C)=C(C(C)NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223446	1	53	0.0	-51.88	407.93	4.77	-47.11
COC1=CC(C)=C(C(C)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223446	1	52	-1.0	-47.80	403.97	2.14	-45.66
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCOC1=CC=CC(C(F)(F)F)=C1	REAL300020223447	0	45	-1.0	-47.14	380.68	2.14	-45.00
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCOC1=CC=CC(C(F)(F)F)=C1	REAL300020223447	1	45	-1.0	-47.14	380.75	2.15	-44.99
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCOC1=CC=C(C(F)(F)F)C=C1	REAL300020223448	0	45	-1.0	-46.13	380.67	2.14	-43.99
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCOC1=CC=C(C(F)(F)F)C=C1	REAL300020223448	1	45	-1.0	-46.17	380.74	2.15	-44.02
CC(C)N(CCCNC(=O)CN1CCC(C2=N[N-]N=N2)C1)S(C)(=O)=O	REAL300020223449	0	51	-1.0	-53.78	401.47	-1.56	-55.34
CC(C)N(CCCNC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020223449	1	52	0.0	-56.19	408.76	1.16	-55.03
CC(C)N(CCCNC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020223449	1	52	0.0	-53.05	409.55	1.14	-51.91
CC(C)N(CCCNC(=O)CN1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020223449	1	51	-1.0	-53.79	401.54	-1.54	-55.33
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CC=C1)C1CCCCC1	REAL300020223450	0	54	-1.0	-45.46	410.69	5.92	-39.54
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CC=C1)C1CCCCC1	REAL300020223450	1	54	-1.0	-45.47	410.76	5.94	-39.53
CC(C)OCC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223451	0	51	-1.0	-46.52	410.96	3.18	-43.34
CC(C)OCC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223451	1	51	-1.0	-46.56	411.03	3.19	-43.37
CC(C)OCC1=CC=CC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223452	0	51	-1.0	-45.45	409.25	2.96	-42.49
CC(C)OCC1=CC=CC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223452	1	51	-1.0	-45.44	409.32	2.98	-42.46
CCOC1=CC=CC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223453	0	45	-1.0	-45.46	363.42	1.74	-43.72
CCOC1=CC=CC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223453	1	45	-1.0	-45.47	363.48	1.76	-43.71
CCCOC1=CC=CC(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223454	0	48	-1.0	-45.20	384.92	2.55	-42.65
CCCOC1=CC=CC(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223454	1	48	-1.0	-45.19	384.98	2.56	-42.63
CC(C)(C)C1=CC=C(CCNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223455	0	53	-1.0	-45.99	409.76	4.61	-41.38
CC(C)(C)C1=CC=C(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223455	1	54	0.0	-51.57	414.56	7.26	-44.31
CC(C)(C)C1=CC=C(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223455	1	54	0.0	-47.22	415.35	7.24	-39.98
CC(C)(C)C1=CC=C(CCNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223455	1	53	-1.0	-45.97	409.83	4.63	-41.34
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCOC1=CC=C2OCOC2=C1	REAL300020223456	0	45	-1.0	-48.92	368.03	-0.22	-49.14
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCOC1=CC=C2OCOC2=C1	REAL300020223456	1	45	-1.0	-48.94	368.09	-0.20	-49.14
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223457	0	41	-1.0	-46.29	362.42	4.59	-41.70
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223457	1	42	0.0	-49.43	367.34	7.24	-42.19
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223457	1	42	0.0	-49.99	367.36	7.25	-42.74
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223457	1	41	-1.0	-46.30	362.49	4.61	-41.69
CNC(=O)C(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223458	0	45	-1.0	-49.63	367.26	0.09	-49.54
CNC(=O)C(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223458	1	45	-1.0	-49.64	367.33	0.10	-49.54
CC(=O)NC1CCCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)C1	REAL300020223459	0	45	-1.0	-55.19	352.29	0.30	-54.89
CC(=O)NC1CCCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223459	1	46	0.0	-55.97	354.42	2.58	-53.39
CC(=O)NC1CCCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223459	1	46	0.0	-52.30	355.34	2.59	-49.71
CC(=O)NC1CCCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)C1	REAL300020223459	1	45	-1.0	-55.22	352.37	0.31	-54.91
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC(C(=O)NC2CC2)=C1	REAL300020223460	0	49	-1.0	-52.62	400.13	1.50	-51.12
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC(C(=O)NC2CC2)=C1	REAL300020223460	1	49	-1.0	-52.61	400.20	1.51	-51.10
CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223461	0	58	0.0	-53.99	434.86	5.39	-48.60
CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223461	1	58	0.0	-58.07	434.15	5.34	-52.73
CC(C)CCNC(=O)C1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223461	1	57	-1.0	-50.93	431.93	3.02	-47.91
CC(C)CCNC(=O)C1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223461	1	57	-1.0	-50.93	432.00	3.02	-47.91
FC1=CC=C(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1F	REAL300020223462	0	36	-1.0	-40.17	320.11	2.07	-38.10
FC1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1F	REAL300020223462	1	36	-1.0	-40.15	320.18	2.07	-38.08
ClC1=CC=C(N2C=C(CN3CCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020223463	0	37	-1.0	-40.92	326.48	3.39	-37.53
ClC1=CC=C(N2C=C(CN3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020223463	1	37	-1.0	-40.94	326.54	3.40	-37.54
ClC1=CC=C(N2C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020223463	1	38	0.0	-54.65	328.38	5.94	-48.71
ClC1=CC=C(N2C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020223463	1	38	0.0	-51.43	328.58	6.00	-45.43
FC1=CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=CC(F)=C1F	REAL300020223464	0	36	-1.0	-36.32	326.93	1.93	-34.39
FC1=CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=CC(F)=C1F	REAL300020223464	1	36	-1.0	-36.36	326.99	1.95	-34.41
CC(C1=CC=CC(Br)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223465	0	35	0.0	-44.98	295.13	6.82	-38.16
CC(C1=CC=CC(Br)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223465	1	35	0.0	-44.42	293.90	6.83	-37.59
CC1CCCCC1N(C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223466	0	47	-1.0	-41.77	325.96	3.35	-38.42
CC1CCCCC1N(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223466	1	48	0.0	-45.07	333.54	6.08	-38.99
CC1CCCCC1N(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223466	1	48	0.0	-49.04	336.77	6.17	-42.87
CC1CCCCC1N(C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223466	1	47	-1.0	-41.74	326.03	3.37	-38.37
COCC1=CC=CC=C1CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223467	0	45	-1.0	-45.02	363.39	1.55	-43.47
COCC1=CC=CC=C1CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223467	1	45	-1.0	-45.05	363.46	1.56	-43.49
COCC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223468	0	45	-1.0	-46.69	368.83	1.46	-45.23
COCC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223468	1	45	-1.0	-46.73	368.90	1.47	-45.26
CC(C1=CC=C(F)C(F)=C1)N(C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223469	0	44	-1.0	-48.26	351.55	3.90	-44.36
CC(C1=CC=C(F)C(F)=C1)N(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223469	1	45	0.0	-54.74	355.90	6.54	-48.20
CC(C1=CC=C(F)C(F)=C1)N(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223469	1	45	0.0	-49.09	359.75	7.27	-41.82
CC(C1=CC=C(F)C(F)=C1)N(C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223469	1	44	-1.0	-48.28	351.62	3.92	-44.36
CCOC1=CC=C(C(C)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020223470	0	52	-1.0	-47.84	410.15	2.48	-45.36
CCOC1=CC=C(C(C)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223470	1	52	-1.0	-47.83	410.21	2.49	-45.34
CCOC1=CC=C(C(C)NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223470	1	53	0.0	-54.90	414.87	5.13	-49.77
CCOC1=CC=C(C(C)NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223470	1	53	0.0	-52.37	415.51	5.19	-47.18
CC(C)OC1=CC=C(CCNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223471	0	51	-1.0	-47.56	402.84	3.14	-44.42
CC(C)OC1=CC=C(CCNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223471	1	52	0.0	-53.89	407.64	5.79	-48.10
CC(C)OC1=CC=C(CCNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223471	1	52	0.0	-49.47	408.42	5.77	-43.70
CC(C)OC1=CC=C(CCNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223471	1	51	-1.0	-47.55	402.91	3.15	-44.40
CC(C)OCC1=CC=CC=C1CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223472	0	51	-1.0	-44.78	405.52	3.29	-41.49
CC(C)OCC1=CC=CC=C1CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223472	1	51	-1.0	-44.82	405.59	3.29	-41.53
CC1=CC(C)=CC(OCCN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223473	0	51	-1.0	-49.82	400.65	4.95	-44.87
CC1=CC(C)=CC(OCCN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223473	1	52	0.0	-46.67	407.23	7.26	-39.41
CC1=CC(C)=CC(OCCN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223473	1	52	0.0	-48.22	405.28	7.26	-40.96
CC1=CC(C)=CC(OCCN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223473	1	51	-1.0	-49.83	400.71	4.96	-44.87
CC(C1=CC=C(Cl)C=C1)N(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223474	0	45	0.0	-52.27	361.48	7.18	-45.09
CC(C1=CC=C(Cl)C=C1)N(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223474	1	45	0.0	-52.49	361.35	7.17	-45.32
CC(C1=CC=C(Cl)C=C1)N(C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223474	1	44	-1.0	-47.89	357.60	4.52	-43.37
CC(C1=CC=C(Cl)C=C1)N(C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223474	1	44	-1.0	-47.90	357.67	4.53	-43.37
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300020223475	0	49	0.0	-50.20	395.58	8.53	-41.67
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300020223475	1	49	0.0	-52.34	394.94	8.74	-43.60
O=C(CN1CCC(C2=N[N-]N=N2)C1)N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300020223475	1	48	-1.0	-40.66	388.67	5.97	-34.69
O=C(CN1CCC(C2=NN=N[N-]2)C1)N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300020223475	1	48	-1.0	-40.64	388.74	5.98	-34.66
CC1=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020223476	0	38	-1.0	-44.29	323.06	1.35	-42.94
CC1=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020223476	1	38	-1.0	-44.27	323.14	1.35	-42.92
COC1=CC=CC=C1C(C)N(C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223477	0	48	-1.0	-48.44	371.90	3.27	-45.17
COC1=CC=CC=C1C(C)N(C)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223477	1	49	0.0	-44.82	376.78	5.91	-38.91
COC1=CC=CC=C1C(C)N(C)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223477	1	49	0.0	-45.66	376.87	5.94	-39.72
COC1=CC=CC=C1C(C)N(C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223477	1	48	-1.0	-48.48	371.96	3.28	-45.20
CCOCC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223478	0	48	-1.0	-46.65	390.69	2.42	-44.23
CCOCC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223478	1	48	-1.0	-46.68	390.76	2.44	-44.24
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300020223479	0	53	-1.0	-51.55	420.22	1.25	-50.30
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300020223479	1	53	-1.0	-51.56	420.29	1.27	-50.29
CN(C)C(=O)C1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223480	0	45	-1.0	-47.66	358.22	1.31	-46.35
CN(C)C(=O)C1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223480	1	45	-1.0	-47.66	358.29	1.32	-46.34
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(OC(F)(F)F)C=C1	REAL300020223481	0	42	-1.0	-44.36	359.76	1.52	-42.84
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(OC(F)(F)F)C=C1	REAL300020223481	1	42	-1.0	-44.39	359.84	1.53	-42.86
COC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223482	0	54	0.0	-50.79	417.77	6.78	-44.01
COC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223482	1	54	0.0	-50.66	417.92	6.79	-43.87
COC1=CC=C(C2CCCN2C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020223482	1	53	-1.0	-49.71	414.94	4.48	-45.23
COC1=CC=C(C2CCCN2C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223482	1	53	-1.0	-49.68	415.01	4.50	-45.18
CC1=CC=C(CCC2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223483	0	58	0.0	-47.23	436.96	10.03	-37.20
CC1=CC=C(CCC2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223483	1	58	0.0	-51.12	436.27	9.98	-41.14
CC1=CC=C(CCC2CCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020223483	1	57	-1.0	-45.25	434.16	7.68	-37.57
CC1=CC=C(CCC2CCN(C(=O)CN3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223483	1	57	-1.0	-45.29	434.23	7.69	-37.60
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300020223484	0	51	0.0	-52.70	400.28	7.93	-44.77
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300020223484	1	51	0.0	-48.74	400.46	7.91	-40.83
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300020223484	1	50	-1.0	-47.53	398.12	5.63	-41.90
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CC=C(C2=CNC3=CC=CC=C23)CC1	REAL300020223484	1	50	-1.0	-47.55	398.19	5.64	-41.91
N#CC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223485	0	40	0.0	-53.16	332.02	5.05	-48.11
N#CC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223485	1	40	0.0	-56.46	333.57	5.19	-51.27
N#CC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223485	1	40	0.0	-53.10	331.95	5.05	-48.05
N#CC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223485	1	40	0.0	-56.41	333.50	5.19	-51.22
NS(=O)(=O)C1=CC=C(CCNC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223486	0	50	0.0	-65.02	415.23	0.51	-64.51
NS(=O)(=O)C1=CC=C(CCNC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223486	1	50	0.0	-68.08	414.79	0.52	-67.56
NS(=O)(=O)C1=CC=C(CCNC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223486	1	50	0.0	-65.03	415.16	0.49	-64.54
NS(=O)(=O)C1=CC=C(CCNC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223486	1	50	0.0	-68.01	414.71	0.51	-67.50
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300020223487	0	51	0.0	-58.32	413.12	8.18	-50.14
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300020223487	1	51	0.0	-57.37	414.80	8.22	-49.15
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300020223487	1	51	0.0	-58.29	413.05	8.16	-50.13
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300020223487	1	51	0.0	-57.30	414.73	8.21	-49.09
CSC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223488	0	43	0.0	-50.96	351.80	5.76	-45.20
CSC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223488	1	43	0.0	-55.77	352.51	5.88	-49.89
CSC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223488	1	43	0.0	-50.97	351.73	5.75	-45.22
CSC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223488	1	43	0.0	-55.73	352.44	5.87	-49.86
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223489	0	52	0.0	-57.90	415.10	8.78	-49.12
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223489	1	52	0.0	-58.43	415.29	8.88	-49.55
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223489	1	52	0.0	-57.84	415.03	8.77	-49.07
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223489	1	52	0.0	-58.44	415.22	8.87	-49.57
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223490	0	49	0.0	-51.72	390.65	8.63	-43.09
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223490	1	49	0.0	-56.45	390.24	8.70	-47.75
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223490	1	49	0.0	-51.65	390.58	8.63	-43.02
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020223490	1	49	0.0	-56.45	390.17	8.69	-47.76
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1OC1=CC=CC=C1	REAL300020223491	0	50	0.0	-50.92	400.60	7.52	-43.40
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1OC1=CC=CC=C1	REAL300020223491	1	50	0.0	-55.03	401.60	7.70	-47.33
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1OC1=CC=CC=C1	REAL300020223491	1	50	0.0	-50.87	400.53	7.51	-43.36
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1OC1=CC=CC=C1	REAL300020223491	1	50	0.0	-55.04	401.53	7.69	-47.35
NC(=O)C1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCC2	REAL300020223492	0	50	0.0	-56.20	404.46	2.98	-53.22
NC(=O)C1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCCC2	REAL300020223492	1	50	0.0	-60.72	405.17	3.10	-57.62
N#CC1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCC2	REAL300020223493	0	44	0.0	-54.71	369.19	6.13	-48.58
N#CC1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)SC2=C1CCC2	REAL300020223493	1	44	0.0	-58.28	369.90	6.25	-52.03
NC(=O)C1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020223494	0	40	0.0	-52.64	334.99	0.71	-51.93
NC(=O)C1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020223494	1	40	0.0	-56.30	335.74	0.83	-55.47
N#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223495	0	40	0.0	-64.10	349.94	5.45	-58.65
N#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223495	1	40	0.0	-65.42	350.31	5.42	-60.00
N#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223495	1	40	0.0	-64.04	349.87	5.43	-58.61
N#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223495	1	40	0.0	-65.39	350.25	5.41	-59.98
CC1CCC2=C(C1)SC(NC(=O)CC[N@@H+]1CCC(C3=NN=N[N-]3)C1)=C2C#N	REAL300020223496	0	50	0.0	-53.89	407.21	7.31	-46.58
CC1CCC2=C(C1)SC(NC(=O)CC[N@H+]1CCC(C3=NN=N[N-]3)C1)=C2C#N	REAL300020223496	1	50	0.0	-57.50	407.91	7.43	-50.07
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CS1)C1=CC=CC=C1	REAL300020223497	0	49	0.0	-51.56	406.82	7.73	-43.83
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CS1)C1=CC=CC=C1	REAL300020223497	1	49	0.0	-56.66	407.54	7.85	-48.81
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CS1)C1=CC=CC=C1	REAL300020223497	1	49	0.0	-51.53	406.75	7.73	-43.80
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CS1)C1=CC=CC=C1	REAL300020223497	1	49	0.0	-56.63	407.47	7.85	-48.78
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223498	0	52	0.0	-58.63	408.87	6.77	-51.86
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223498	1	52	0.0	-63.91	409.61	6.90	-57.01
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223498	1	52	0.0	-58.54	408.80	6.76	-51.78
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223498	1	52	0.0	-63.88	409.53	6.89	-56.99
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=NC(C2=CC=C(F)C=C2)=CS1	REAL300020223499	0	41	-1.0	-44.84	355.42	3.36	-41.48
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=NC(C2=CC=C(F)C=C2)=CS1	REAL300020223499	1	41	-1.0	-44.85	355.48	3.38	-41.47
CC1=CC=C(C2=CSC(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1C	REAL300020223500	0	47	-1.0	-45.86	387.44	4.50	-41.36
CC1=CC=C(C2=CSC(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1C	REAL300020223500	1	47	-1.0	-45.89	387.50	4.51	-41.38
CC1=CC(C)=C(C2=CSC(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)=N2)C(C)=C1	REAL300020223501	0	50	-1.0	-45.26	407.32	5.10	-40.16
CC1=CC(C)=C(C2=CSC(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)=N2)C(C)=C1	REAL300020223501	1	50	-1.0	-45.24	407.38	5.12	-40.12
CC1=CC(C)=C(C2=CSC([N-]C(=O)CN3CCC(C4=N[N-]N=N4)C3)=N2)C(C)=C1	REAL300020223501	1	49	-2.0	-87.55	403.99	4.05	-83.50
CCCC1=CC=C(C2=CSC(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223502	0	50	-1.0	-45.15	413.39	5.51	-39.64
CCCC1=CC=C(C2=CSC(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223502	1	50	-1.0	-45.15	413.46	5.53	-39.62
CC1=CC(C)=C(C2=CSC(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1C	REAL300020223503	0	50	-1.0	-45.41	408.53	5.25	-40.16
CC1=CC(C)=C(C2=CSC(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1C	REAL300020223503	1	50	-1.0	-45.46	408.60	5.26	-40.20
CC1=CC(C)=C(C2=CSC([N-]C(=O)CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1C	REAL300020223503	1	49	-2.0	-96.71	406.47	4.36	-92.35
CC1=C(C)N(C2=CC=CC=C2)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1C#N	REAL300020223504	0	50	-1.0	-43.49	407.25	6.42	-37.07
CC1=C(C)N(C2=CC=CC=C2)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020223504	1	50	-1.0	-43.56	407.32	6.43	-37.13
O=C(NC1CC1)C(C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223505	0	42	-1.0	-48.36	350.53	3.46	-44.90
O=C(NC1CC1)C(C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223505	1	42	-1.0	-48.37	350.59	3.47	-44.90
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C1)C1=CC=CC=C1N2	REAL300020223506	0	47	0.0	-57.09	365.23	6.36	-50.73
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C1)C1=CC=CC=C1N2	REAL300020223506	1	47	0.0	-51.16	366.13	6.41	-44.75
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCC2=C(C1)C1=CC=CC=C1N2	REAL300020223506	1	46	-1.0	-48.86	363.11	4.09	-44.77
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C1)C1=CC=CC=C1N2	REAL300020223506	1	46	-1.0	-48.85	363.19	4.09	-44.76
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=C([N+](=O)[O-])C=C21	REAL300020223507	0	41	-1.0	-59.14	340.18	4.43	-54.71
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=C([N+](=O)[O-])C=C21	REAL300020223507	1	41	-1.0	-59.13	340.25	4.43	-54.70
CC(C(=O)NC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223508	0	38	-1.0	-41.70	335.65	3.18	-38.52
CC(C(=O)NC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223508	1	38	-1.0	-41.73	335.73	3.20	-38.53
CC(C(=O)NC1=CC=C(Cl)C(Cl)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223508	1	39	0.0	-46.82	339.67	5.52	-41.30
CC(C(=O)NC1=CC=C(Cl)C(Cl)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223508	1	39	0.0	-50.99	338.91	5.52	-45.47
CC(=O)NC1=CC=CC(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223509	0	45	-1.0	-49.37	359.87	1.10	-48.27
CC(=O)NC1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223509	1	46	0.0	-54.70	364.08	3.45	-51.25
CC(=O)NC1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223509	1	46	0.0	-54.65	362.40	3.45	-51.20
CC(=O)NC1=CC=CC(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223509	1	45	-1.0	-49.36	359.95	1.12	-48.24
CC1=CC(Cl)=CC=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223510	0	41	-1.0	-49.60	341.12	3.66	-45.94
CC1=CC(Cl)=CC=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223510	1	41	-1.0	-49.60	341.19	3.67	-45.93
CC1=CC(Cl)=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223510	1	42	0.0	-49.83	342.30	5.92	-43.91
CC1=CC(Cl)=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223510	1	42	0.0	-48.61	340.77	5.91	-42.70
COC1=CC=C(C2=C(C)SC(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223511	0	48	-1.0	-42.30	400.34	3.48	-38.82
COC1=CC=C(C2=C(C)SC(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223511	1	48	-1.0	-42.32	400.41	3.49	-38.83
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(C[NH+]2CCSCC2)=C1	REAL300020223512	0	52	0.0	-72.83	408.32	5.28	-67.55
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(CN2CCSCC2)=C1	REAL300020223512	1	51	-1.0	-41.87	406.72	3.11	-38.76
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(CN2CCSCC2)=C1	REAL300020223512	1	51	-1.0	-41.92	406.79	3.13	-38.79
ClC1=CC=C(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223513	0	36	0.0	-51.45	315.48	7.38	-44.07
ClC1=CC=C(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223513	1	36	0.0	-52.26	316.23	7.45	-44.81
ClC1=CC=C(SCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223513	1	36	0.0	-51.44	315.41	7.36	-44.08
ClC1=CC=C(SCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223513	1	36	0.0	-52.27	316.16	7.44	-44.83
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(NC(=O)C2=CC=CS2)C=C1	REAL300020223514	0	46	-1.0	-58.87	392.11	2.59	-56.28
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(NC(=O)C2=CC=CS2)C=C1	REAL300020223514	1	46	-1.0	-58.90	392.18	2.60	-56.30
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300020223515	0	48	-1.0	-45.62	403.74	6.08	-39.54
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300020223515	1	48	-1.0	-45.66	403.81	6.10	-39.56
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=NC2=C(CCCC2)S1	REAL300020223516	0	41	-1.0	-48.03	336.26	2.61	-45.42
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=NC2=C(CCCC2)S1	REAL300020223516	1	41	-1.0	-48.06	336.33	2.63	-45.43
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=NC(C2=CC=CS2)=CS1	REAL300020223517	0	38	-1.0	-44.94	341.92	2.38	-42.56
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=NC(C2=CC=CS2)=CS1	REAL300020223517	1	38	-1.0	-44.91	341.85	2.36	-42.55
CN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=NC2=CC=CC=C2S1	REAL300020223518	0	40	-1.0	-47.40	339.74	4.30	-43.10
CN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=NC2=CC=CC=C2S1	REAL300020223518	1	40	-1.0	-47.37	339.82	4.31	-43.06
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=NC(C2=CC=CO2)=CS1	REAL300020223519	0	38	-1.0	-46.26	333.38	1.39	-44.87
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=NC(C2=CC=CO2)=CS1	REAL300020223519	1	38	-1.0	-46.23	333.32	1.37	-44.86
O=C(CN1CCC(C2=NN=N[N-]2)C1)[N-]C1=NC(C2=CC=CO2)=CS1	REAL300020223519	1	37	-2.0	-94.33	331.72	0.45	-93.88
O=C(CN1CCC(C2=N[N-]N=N2)C1)[N-]C1=NC(C2=CC=CO2)=CS1	REAL300020223519	1	37	-2.0	-94.32	331.65	0.44	-93.88
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300020223520	0	44	-1.0	-51.64	382.27	4.66	-46.98
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300020223520	1	44	-1.0	-51.58	382.20	4.65	-46.93
CC(C)C1=C(C2=CC=CC=C2)N=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223521	0	50	-1.0	-46.10	415.34	5.94	-40.16
CC(C)C1=C(C2=CC=CC=C2)N=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223521	1	50	-1.0	-46.13	415.41	5.95	-40.18
CC1=C(CC2=CC=C(C)C=C2)SC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223522	0	50	-1.0	-45.50	418.50	6.06	-39.44
CC1=C(CC2=CC=C(C)C=C2)SC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223522	1	50	-1.0	-45.48	418.58	6.07	-39.41
COC(=O)C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020223523	0	38	0.0	-48.62	323.24	6.03	-42.59
COC(=O)C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020223523	1	38	0.0	-50.72	322.67	6.15	-44.57
CC(C1=NN=C(C2=CC=C(Cl)C(Cl)=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223524	0	39	-1.0	-45.00	358.20	0.70	-44.30
CC(C1=NN=C(C2=CC=C(Cl)C(Cl)=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223524	1	39	-1.0	-45.00	358.27	0.71	-44.29
CC(C(=O)NC1=CC=C(N2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223525	0	51	-1.0	-41.76	390.23	1.05	-40.71
CC(C(=O)NC1=CC=C(N2CCOCC2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223525	1	52	0.0	-53.60	391.72	3.47	-50.13
CC(C(=O)NC1=CC=C(N2CCOCC2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223525	1	52	0.0	-53.62	392.41	3.47	-50.15
CC(C(=O)NC1=CC=C(N2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223525	1	51	-1.0	-41.76	390.31	1.06	-40.70
CCC1=CC=C(NC(=O)C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020223526	0	46	-1.0	-46.59	387.02	2.29	-44.30
CCC1=CC=C(NC(=O)C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020223526	1	46	-1.0	-46.56	386.95	2.28	-44.28
C#CC1=CC=CC(NC(=O)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223527	0	41	-1.0	-61.40	350.77	2.77	-58.63
C#CC1=CC=CC(NC(=O)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223527	1	41	-1.0	-61.38	350.84	2.79	-58.59
C1=CC=C(C2=NOC(C(C3=CC=CC=C3)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223528	0	46	-1.0	-47.45	383.70	5.59	-41.86
C1=CC=C(C2=NOC(C(C3=CC=CC=C3)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223528	1	46	-1.0	-47.46	383.77	5.61	-41.85
COC(=O)C(C1=CC=CC(C#N)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223529	0	38	-1.0	-41.36	316.65	3.69	-37.67
COC(=O)C(C1=CC=CC(C#N)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223529	1	38	-1.0	-41.37	316.72	3.71	-37.66
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)NCC(F)(F)F	REAL300020223530	0	39	0.0	-67.03	335.13	2.41	-64.62
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)NCC(F)(F)F	REAL300020223530	1	39	0.0	-67.52	335.29	2.51	-65.01
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)NCC(F)(F)F	REAL300020223530	1	39	0.0	-67.02	335.06	2.41	-64.61
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)NCC(F)(F)F	REAL300020223530	1	39	0.0	-67.50	335.22	2.51	-64.99
N#CC1=C(N2CCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)SC=C1	REAL300020223531	0	37	-1.0	-42.98	311.71	2.30	-40.68
N#CC1=C(N2CCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)SC=C1	REAL300020223531	1	37	-1.0	-42.92	311.78	2.31	-40.61
O=C1C2=CC=CC=C2N=CN1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223532	0	40	0.0	-53.68	325.26	6.54	-47.14
O=C1C2=CC=CC=C2N=CN1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223532	1	40	0.0	-60.31	325.29	6.58	-53.73
O=C1C2=CC=CC=C2N=CN1CCN1CCC(C2=NN=N[N-]2)C1	REAL300020223532	1	39	-1.0	-49.00	322.68	4.24	-44.76
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223533	0	42	-1.0	-49.36	338.47	-0.89	-50.25
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223533	1	42	-1.0	-49.36	338.54	-0.87	-50.23
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223533	1	43	0.0	-65.02	342.73	1.29	-63.73
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223533	1	43	0.0	-54.66	341.00	1.32	-53.34
CC(C(=O)NC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223534	0	38	-1.0	-46.74	320.94	2.82	-43.92
CC(C(=O)NC1=CC=C(Cl)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223534	1	39	0.0	-56.30	325.02	5.01	-51.29
CC(C(=O)NC1=CC=C(Cl)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223534	1	39	0.0	-48.37	323.05	5.06	-43.31
CC(C(=O)NC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223534	1	38	-1.0	-46.75	321.01	2.83	-43.92
CC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223535	0	40	-1.0	-47.68	332.23	2.97	-44.71
CC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223535	1	40	-1.0	-47.72	332.31	2.98	-44.74
CC(C(=O)C1=C(N)N(C)C(=O)N(C)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020223536	0	44	-1.0	-48.75	343.09	1.20	-47.55
CC(C(=O)C1=C(N)N(C)C(=O)N(C)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020223536	1	44	-1.0	-48.79	343.16	1.22	-47.57
CC(C(=O)C1=C(N)N(C)C(=O)N(C)C1=O)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223536	1	45	0.0	-45.04	344.75	3.59	-41.45
CC(C(=O)C1=C(N)N(C)C(=O)N(C)C1=O)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223536	1	45	0.0	-45.43	344.47	3.66	-41.77
CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020223537	0	40	-1.0	-43.58	327.54	3.23	-40.35
CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020223537	1	40	-1.0	-43.56	327.61	3.24	-40.32
CC(C(=O)NC1=CC=CC=C1C(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223538	0	50	-1.0	-50.55	405.51	5.62	-44.93
CC(C(=O)NC1=CC=CC=C1C(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223538	1	50	-1.0	-50.53	405.57	5.64	-44.89
CC(C(=O)NC1=CC=CC=C1C(=O)C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223538	1	51	0.0	-48.11	408.12	8.06	-40.05
CC(C(=O)NC1=CC=CC=C1C(=O)C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223538	1	51	0.0	-52.81	408.18	8.01	-44.80
COC1=CC2=C(C=C1OC)C(=O)N=C(CN1CCC(C3=N[N-]N=N3)C1)N2	REAL300020223539	0	44	-1.0	-57.97	357.15	0.91	-57.06
COC1=CC2=C(C=C1OC)C(=O)N=C(CN1CCC(C3=NN=N[N-]3)C1)N2	REAL300020223539	1	44	-1.0	-57.96	357.22	0.93	-57.03
COC(=O)C1=CC=C2C(=O)N=C(CN3CCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020223540	0	42	-1.0	-54.19	353.20	2.33	-51.86
COC(=O)C1=CC=C2C(=O)N=C(CN3CCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020223540	1	42	-1.0	-54.21	353.27	2.34	-51.87
CC(C(=O)NC1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223541	0	44	-1.0	-44.52	349.88	4.49	-40.03
CC(C(=O)NC1=CC2=CC=CC=C2C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223541	1	45	0.0	-46.30	354.78	6.88	-39.42
CC(C(=O)NC1=CC2=CC=CC=C2C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223541	1	45	0.0	-46.23	354.35	6.79	-39.44
CC(C(=O)NC1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223541	1	44	-1.0	-44.54	349.95	4.50	-40.04
O=C1N=C(CN2CCC(C3=N[N-]N=N3)C2)NC2=CC(C(F)(F)F)=CC=C12	REAL300020223542	0	39	-1.0	-52.98	337.54	2.68	-50.30
O=C1N=C(CN2CCC(C3=NN=N[N-]3)C2)NC2=CC(C(F)(F)F)=CC=C12	REAL300020223542	1	39	-1.0	-52.94	337.61	2.70	-50.24
CC1(C)C(=O)NC2=CC=CC=C2N1C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223543	0	46	-1.0	-45.76	353.64	1.74	-44.02
CC1(C)C(=O)NC2=CC=CC=C2N1C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223543	1	46	-1.0	-45.80	353.71	1.75	-44.05
CC1(C)C(=O)NC2=CC=CC=C2N1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223543	1	47	0.0	-52.23	356.63	4.31	-47.92
CC1(C)C(=O)NC2=CC=CC=C2N1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223543	1	47	0.0	-49.35	357.55	4.40	-44.95
CCC1=CC=CC=C1NC1=NC(N)=NC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223544	0	48	-1.0	-40.28	385.95	7.56	-32.72
CCC1=CC=CC=C1NC1=NC(N)=NC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223544	1	48	-1.0	-40.31	386.03	7.58	-32.73
COC(=O)C1=C(C)NC(C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020223545	0	43	-1.0	-46.44	354.70	2.80	-43.64
COC(=O)C1=C(C)NC(C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223545	1	43	-1.0	-46.44	354.78	2.81	-43.63
COC(=O)C1=C(C)NC(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223545	1	44	0.0	-56.99	359.42	5.36	-51.63
COC(=O)C1=C(C)NC(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223545	1	44	0.0	-53.30	360.22	5.36	-47.94
COC(=O)C1=C(C)NC(C(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020223546	0	46	-1.0	-49.12	375.51	3.49	-45.63
COC(=O)C1=C(C)NC(C(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223546	1	46	-1.0	-49.12	375.57	3.51	-45.61
COC(=O)C1=C(C)NC(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223546	1	47	0.0	-48.63	377.11	5.89	-42.74
COC(=O)C1=C(C)NC(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223546	1	47	0.0	-59.21	376.81	5.86	-53.35
CC(C(=O)NC1=CC=CC(S(=O)(=O)N(C)C)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223547	0	49	-1.0	-56.97	400.89	0.15	-56.82
CC(C(=O)NC1=CC=CC(S(=O)(=O)N(C)C)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223547	1	49	-1.0	-56.95	400.96	0.16	-56.79
CC1=CC(Br)=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223548	0	38	-1.0	-42.86	325.07	2.94	-39.92
CC1=CC(Br)=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223548	1	38	-1.0	-42.85	325.14	2.96	-39.89
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223549	0	48	-1.0	-51.75	382.19	3.74	-48.01
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223549	1	48	-1.0	-51.75	382.26	3.75	-48.00
CC1=CSC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N12	REAL300020223550	0	37	0.0	-50.07	313.78	5.29	-44.78
CC1=CSC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N12	REAL300020223550	1	37	0.0	-50.42	309.11	5.77	-44.65
CC1=CSC2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CC(=O)N12	REAL300020223550	1	36	-1.0	-45.19	309.52	2.91	-42.28
CC1=C(C)C2=C(NC(C(C)N3CCC(C4=N[N-]N=N4)C3)=NC2=O)S1	REAL300020223551	0	42	-1.0	-53.33	342.35	2.93	-50.40
CC1=C(C)C2=C(NC(C(C)N3CCC(C4=NN=N[N-]4)C3)=NC2=O)S1	REAL300020223551	1	42	-1.0	-53.33	342.42	2.94	-50.39
CCC1=CC2=C(C=C1O)OC(=O)C=C2C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223552	0	44	0.0	-58.79	355.12	5.63	-53.16
CCC1=CC2=C(C=C1O)OC(=O)C=C2C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223552	1	44	0.0	-59.48	355.45	5.67	-53.81
CCC1=CC2=C(C=C1[O-])OC(=O)C=C2C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223552	1	43	-1.0	-87.09	352.40	6.36	-80.73
CCC1=CC2=C(C=C1[O-])OC(=O)C=C2C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223552	1	43	-1.0	-87.65	352.75	6.40	-81.25
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC2=C1N=S=N2	REAL300020223553	0	36	-1.0	-45.77	311.10	-0.05	-45.82
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC2=C1N=S=N2	REAL300020223553	1	36	-1.0	-45.72	311.18	-0.04	-45.76
CC(NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020223554	0	41	-1.0	-43.49	359.49	3.39	-40.10
CC(NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020223554	1	41	-1.0	-43.46	359.56	3.41	-40.05
CCC1=CC2=C(C=C1Cl)C(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223555	0	43	0.0	-56.86	358.98	8.73	-48.13
CCC1=CC2=C(C=C1Cl)C(C[N@H+]1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223555	1	43	0.0	-56.74	359.02	8.75	-47.99
CCC1=CC2=C(C=C1Cl)C(CN1CCC(C3=N[N-]N=N3)C1)=CC(=O)O2	REAL300020223555	1	42	-1.0	-41.02	355.90	6.41	-34.61
CCC1=CC2=C(C=C1Cl)C(CN1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223555	1	42	-1.0	-41.05	355.97	6.41	-34.64
CC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223556	0	43	-1.0	-52.57	358.98	-2.74	-55.31
CC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223556	1	43	-1.0	-52.53	359.04	-2.72	-55.25
COC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223557	0	44	-1.0	-54.30	368.12	-4.22	-58.52
COC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223557	1	44	-1.0	-54.30	368.19	-4.20	-58.50
O=[N+]([O-])C1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020223558	0	33	-1.0	-41.23	296.19	4.04	-37.19
O=[N+]([O-])C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020223558	1	34	0.0	-57.77	299.14	6.60	-51.17
O=[N+]([O-])C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020223558	1	34	0.0	-60.56	296.83	6.59	-53.97
O=[N+]([O-])C1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020223558	1	33	-1.0	-41.23	296.25	4.06	-37.17
CC(CCSC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223559	0	42	0.0	-48.55	335.72	8.00	-40.55
CC(CCSC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223559	1	42	0.0	-50.14	334.54	8.03	-42.11
CC(CCSC1=CC=CC=C1)[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223559	1	42	0.0	-48.51	335.65	7.98	-40.53
CC(CCSC1=CC=CC=C1)[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223559	1	42	0.0	-50.11	334.47	8.00	-42.11
CC1=NN=NN1C1=CC=C(F)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223560	0	43	-1.0	-57.61	358.44	1.53	-56.08
CC1=NN=NN1C1=CC=C(F)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223560	1	43	-1.0	-57.58	358.51	1.55	-56.03
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC(N2N=NN=C2C2CC2)=CC=C1F	REAL300020223561	0	47	-1.0	-56.70	390.27	2.98	-53.72
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC(N2N=NN=C2C2CC2)=CC=C1F	REAL300020223561	1	47	-1.0	-56.77	390.34	3.00	-53.77
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC(N2C=NN=N2)=CC=C1F	REAL300020223562	0	40	-1.0	-57.84	339.40	1.70	-56.14
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC(N2C=NN=N2)=CC=C1F	REAL300020223562	1	40	-1.0	-57.84	339.33	1.68	-56.16
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC(N2C=NN=N2)=CC=C1Cl	REAL300020223563	0	40	-1.0	-57.15	348.38	2.19	-54.96
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC(N2C=NN=N2)=CC=C1Cl	REAL300020223563	1	40	-1.0	-57.16	348.31	2.18	-54.98
NS(=O)(=O)C1=CC=C(Cl)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223564	0	40	-1.0	-52.73	354.28	-3.04	-55.77
NS(=O)(=O)C1=CC=C(Cl)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223564	1	40	-1.0	-52.72	354.34	-3.02	-55.74
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1=CC=CC2=CC=CN=C21	REAL300020223565	0	46	-1.0	-51.32	375.29	3.01	-48.31
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1=CC=CC2=CC=CN=C21	REAL300020223565	1	46	-1.0	-51.28	375.36	3.03	-48.25
COC(=O)C(C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223566	0	37	-1.0	-42.99	339.40	5.31	-37.68
COC(=O)C(C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223566	1	37	-1.0	-42.97	339.48	5.32	-37.65
CC1=CC(C)=C(NC(=O)CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020223567	0	51	0.0	-52.02	393.53	7.69	-44.33
CC1=CC(C)=C(NC(=O)CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020223567	1	51	0.0	-53.48	393.05	7.64	-45.84
CC1=CC(C)=C(NC(=O)CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020223567	1	51	0.0	-51.98	393.47	7.68	-44.30
CC1=CC(C)=C(NC(=O)CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020223567	1	51	0.0	-53.44	392.98	7.64	-45.80
CCCCC1=NN=C([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223568	0	41	-2.0	-93.04	350.62	0.71	-92.33
CCCCC1=NN=C([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223568	1	41	-2.0	-93.04	350.68	0.72	-92.32
CCCCCC1=NN=C([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223569	0	44	-2.0	-92.97	372.12	1.49	-91.48
CCCCCC1=NN=C([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223569	1	44	-2.0	-93.00	372.18	1.50	-91.50
CC(C)CC1=NN=C([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223570	0	41	-2.0	-93.88	346.10	0.40	-93.48
CC(C)CC1=NN=C([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223570	1	41	-2.0	-93.86	346.16	0.42	-93.44
CCC1=CC=C(Cl)C(CC)=C1NC(=O)CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223571	0	54	0.0	-54.88	418.04	8.37	-46.51
CCC1=CC=C(Cl)C(CC)=C1NC(=O)CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223571	1	54	0.0	-54.56	417.88	8.39	-46.17
CCC1=CC=C(Cl)C(CC)=C1NC(=O)CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223571	1	54	0.0	-54.85	417.98	8.36	-46.49
CCC1=CC=C(Cl)C(CC)=C1NC(=O)CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223571	1	54	0.0	-54.49	417.80	8.39	-46.10
CC(C)C1=NN=C([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223572	0	38	-2.0	-93.45	328.44	-0.24	-93.69
CC(C)C1=NN=C([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223572	1	38	-2.0	-93.45	328.51	-0.22	-93.67
CC(C)(C)C1=NN=C([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223573	0	41	-2.0	-91.54	346.74	0.32	-91.22
CC(C)(C)C1=NN=C([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223573	1	41	-2.0	-91.58	346.66	0.30	-91.28
CC1=CC=CC=C1CC(=O)NNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223574	0	45	-1.0	-46.99	366.25	1.44	-45.55
CC1=CC=CC=C1CC(=O)NNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223574	1	45	-1.0	-46.98	366.31	1.46	-45.52
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(F)(F)F	REAL300020223575	0	42	0.0	-56.00	346.97	5.93	-50.07
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(F)(F)F	REAL300020223575	1	42	0.0	-55.10	348.17	5.98	-49.12
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(F)(F)F	REAL300020223575	1	42	0.0	-55.96	346.90	5.92	-50.04
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(F)(F)F	REAL300020223575	1	42	0.0	-55.10	348.10	5.97	-49.13
CCOC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223576	0	46	0.0	-54.67	364.85	4.81	-49.86
CCOC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223576	1	46	0.0	-59.94	365.61	4.94	-55.00
CCOC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223576	1	46	0.0	-54.61	364.78	4.81	-49.80
CCOC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223576	1	46	0.0	-59.89	365.54	4.94	-54.95
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223577	0	43	0.0	-57.84	359.26	4.50	-53.34
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223577	1	43	0.0	-59.01	359.35	4.47	-54.54
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223577	1	43	0.0	-57.81	359.19	4.48	-53.33
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223577	1	43	0.0	-59.01	359.29	4.45	-54.56
COC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223578	0	43	0.0	-56.30	343.03	3.96	-52.34
COC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223578	1	43	0.0	-60.13	343.60	3.91	-56.22
COC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223578	1	43	0.0	-56.29	342.95	3.94	-52.35
COC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223578	1	43	0.0	-60.12	343.54	3.89	-56.23
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223579	0	42	0.0	-58.97	352.87	5.66	-53.31
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223579	1	42	0.0	-60.72	353.16	5.62	-55.10
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223579	1	42	0.0	-58.99	352.80	5.64	-53.35
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020223579	1	42	0.0	-60.70	353.09	5.60	-55.10
CCOC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223580	0	46	0.0	-51.00	364.20	4.95	-46.05
CCOC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223580	1	46	0.0	-55.92	364.92	5.07	-50.85
CCOC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223580	1	46	0.0	-50.96	364.13	4.95	-46.01
CCOC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223580	1	46	0.0	-55.89	364.84	5.07	-50.82
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020223581	0	53	0.0	-55.86	424.76	7.88	-47.98
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020223581	1	53	0.0	-61.17	425.52	8.01	-53.16
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020223581	1	53	0.0	-55.76	424.69	7.87	-47.89
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020223581	1	53	0.0	-61.12	425.45	8.00	-53.12
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223582	0	40	0.0	-39.73	312.08	8.43	-31.30
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223582	1	40	0.0	-41.04	312.18	8.50	-32.54
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223582	1	40	0.0	-39.68	312.01	8.42	-31.26
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223582	1	40	0.0	-40.94	312.10	8.50	-32.44
O=C(C1=CC=CC=C1)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223583	0	44	0.0	-55.07	352.86	8.77	-46.30
O=C(C1=CC=CC=C1)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223583	1	44	0.0	-56.51	354.36	8.77	-47.74
COC(=O)C(C1=CC(OC)=CC(OC)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223584	0	45	-1.0	-47.43	364.92	2.90	-44.53
COC(=O)C(C1=CC(OC)=CC(OC)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223584	1	45	-1.0	-47.47	364.99	2.90	-44.57
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223585	0	52	0.0	-54.58	382.59	6.71	-47.87
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223585	1	52	0.0	-54.03	381.81	6.59	-47.44
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223585	1	52	0.0	-54.54	382.52	6.71	-47.83
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223585	1	52	0.0	-53.99	381.74	6.59	-47.40
ClC1=CC=C(OC2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020223586	0	43	0.0	-48.07	364.06	9.01	-39.06
ClC1=CC=C(OC2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020223586	1	43	0.0	-47.36	364.88	8.98	-38.38
CC(NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300020223587	0	49	-1.0	-50.20	401.90	-1.84	-52.04
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300020223587	1	50	0.0	-52.68	405.68	0.48	-52.20
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300020223587	1	50	0.0	-62.89	405.52	0.48	-62.41
CC(NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300020223587	1	49	-1.0	-50.19	401.97	-1.83	-52.02
CC(C(=O)NC1=C(F)C(F)=C(F)C(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020223588	0	38	-1.0	-45.10	334.64	2.67	-42.43
CC(C(=O)NC1=C(F)C(F)=C(F)C(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020223588	1	38	-1.0	-45.07	334.71	2.69	-42.38
CC(C(=O)NC1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223589	0	41	-1.0	-43.59	345.83	1.30	-42.29
CC(C(=O)NC1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223589	1	41	-1.0	-43.60	345.90	1.31	-42.29
CC(C(=O)NC1=CC=C2OC(F)(F)OC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223589	1	42	0.0	-50.79	347.39	3.64	-47.15
CC(C(=O)NC1=CC=C2OC(F)(F)OC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223589	1	42	0.0	-54.53	346.36	3.65	-50.88
CC(C(=O)NC1=CC=C(N2CCCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223590	0	49	-1.0	-51.61	381.50	3.39	-48.22
CC(C(=O)NC1=CC=C(N2CCCC2=O)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223590	1	50	0.0	-55.66	384.33	5.62	-50.04
CC(C(=O)NC1=CC=C(N2CCCC2=O)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223590	1	50	0.0	-52.18	383.63	5.64	-46.54
CC(C(=O)NC1=CC=C(N2CCCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223590	1	49	-1.0	-51.61	381.57	3.41	-48.20
CC(C(=O)NC1=CC=C2OC3(CCCCC3)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223591	0	54	-1.0	-41.33	414.40	4.40	-36.93
CC(C(=O)NC1=CC=C2OC3(CCCCC3)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223591	1	54	-1.0	-41.35	414.48	4.41	-36.94
CC(C(=O)NC1=CC=C2OC3(CCCCC3)OC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223591	1	55	0.0	-54.00	416.56	6.76	-47.24
CC(C(=O)NC1=CC=C2OC3(CCCCC3)OC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223591	1	55	0.0	-50.00	415.29	6.75	-43.25
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223592	0	51	-1.0	-59.45	399.42	4.30	-55.15
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223592	1	51	-1.0	-59.42	399.48	4.32	-55.10
CC(C(=O)NC1=CC=CC=C1S(C)(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020223593	0	44	-1.0	-44.47	358.05	0.35	-44.12
CC(C(=O)NC1=CC=CC=C1S(C)(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020223593	1	44	-1.0	-44.52	358.12	0.36	-44.16
CC(C(=O)NC1=CC=C(N2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223594	0	50	-1.0	-40.68	384.25	2.72	-37.96
CC(C(=O)NC1=CC=C(N2CCCC2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223594	1	51	0.0	-47.49	384.82	5.03	-42.46
CC(C(=O)NC1=CC=C(N2CCCC2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223594	1	51	0.0	-47.48	385.07	5.05	-42.43
CC(C(=O)NC1=CC=C(N2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223594	1	50	-1.0	-40.68	384.32	2.74	-37.94
CC(C(=O)N1CCN(C2=CC=C(F)C=C2)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223595	0	51	0.0	-44.97	387.40	5.63	-39.34
CC(C(=O)N1CCN(C2=CC=C(F)C=C2)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223595	1	51	0.0	-57.26	387.65	5.66	-51.60
CC(C(=O)N1CCN(C2=CC=C(F)C=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223595	1	50	-1.0	-48.57	376.75	2.87	-45.70
CC(C(=O)N1CCN(C2=CC=C(F)C=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223595	1	50	-1.0	-48.55	376.82	2.88	-45.67
CC(C(=O)N1CCN(C2=CC=CC=C2O)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223596	0	52	0.0	-43.53	391.02	3.01	-40.52
CC(C(=O)N1CCN(C2=CC=CC=C2O)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223596	1	52	0.0	-53.12	395.66	2.97	-50.15
CC(C(=O)N1CCN(C2=CC=CC=C2O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223596	1	51	-1.0	-49.41	383.31	0.25	-49.16
CC(C(=O)N1CCN(C2=CC=CC=C2O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223596	1	51	-1.0	-49.45	383.39	0.26	-49.19
CC(C(=O)N1CCN(C2=NC=CC=N2)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223597	0	49	0.0	-45.98	374.19	5.16	-40.82
CC(C(=O)N1CCN(C2=NC=CC=N2)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223597	1	49	0.0	-50.35	374.02	5.18	-45.17
CC(C(=O)N1CCN(C2=NC=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223597	1	48	-1.0	-52.47	362.12	2.41	-50.06
CC(C(=O)N1CCN(C2=NC=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223597	1	48	-1.0	-52.45	362.19	2.43	-50.02
CC1=CC(C)=CC(N(CCC#N)C(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223598	0	51	-1.0	-47.71	398.45	6.08	-41.63
CC1=CC(C)=CC(N(CCC#N)C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223598	1	52	0.0	-61.97	402.05	8.34	-53.63
CC1=CC(C)=CC(N(CCC#N)C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223598	1	52	0.0	-54.22	399.50	8.36	-45.86
CC1=CC(C)=CC(N(CCC#N)C(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223598	1	51	-1.0	-47.72	398.52	6.09	-41.63
COC(=O)C1CCN(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223599	0	48	0.0	-50.88	366.69	5.25	-45.63
COC(=O)C1CCN(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223599	1	48	0.0	-51.97	366.48	5.25	-46.72
COC(=O)C1CCN(C(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223599	1	47	-1.0	-50.19	363.94	2.85	-47.34
COC(=O)C1CCN(C(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223599	1	47	-1.0	-50.22	364.01	2.87	-47.35
CC(C(=O)N1CCCC1C1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223600	0	45	-1.0	-50.20	354.26	4.03	-46.17
CC(C(=O)N1CCCC1C1=CC=CS1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223600	1	46	0.0	-55.39	362.48	6.65	-48.74
CC(C(=O)N1CCCC1C1=CC=CS1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223600	1	46	0.0	-44.75	361.18	6.64	-38.11
CC(C(=O)N1CCCC1C1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223600	1	45	-1.0	-50.19	354.34	4.03	-46.16
CC(C(=O)NC(=O)NC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020223601	0	42	-1.0	-55.18	344.81	2.35	-52.83
CC(C(=O)NC(=O)NC1=CC=CC=C1F)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223601	1	43	0.0	-51.19	349.32	4.69	-46.50
CC(C(=O)NC(=O)NC1=CC=CC=C1F)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223601	1	43	0.0	-56.05	348.18	4.67	-51.38
CC(C(=O)NC(=O)NC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020223601	1	42	-1.0	-55.20	344.89	2.36	-52.84
COC1=CC=C(NC(=O)C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020223602	0	44	-1.0	-47.27	373.64	0.14	-47.13
COC1=CC=C(NC(=O)C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020223602	1	44	-1.0	-47.24	373.57	0.13	-47.11
CC1=NN(C)C(=O)C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)=C1C	REAL300020223603	0	45	-1.0	-42.89	374.06	2.68	-40.21
CC1=NN(C)C(=O)C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)=C1C	REAL300020223603	1	45	-1.0	-42.90	374.13	2.69	-40.21
CC1=NN(C)C(=O)C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1C	REAL300020223603	1	46	0.0	-50.17	377.49	5.26	-44.91
CC1=NN(C)C(=O)C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1C	REAL300020223603	1	46	0.0	-50.73	377.09	5.40	-45.33
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC(C2CC2)=NN1C1=CC=CC=C1	REAL300020223604	0	49	-1.0	-48.11	393.21	5.77	-42.34
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC(C2CC2)=NN1C1=CC=CC=C1	REAL300020223604	1	49	-1.0	-48.11	393.27	5.78	-42.33
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223605	0	48	-1.0	-46.87	370.01	0.23	-46.64
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223605	1	48	-1.0	-46.96	370.07	0.25	-46.71
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223605	1	49	0.0	-49.95	375.44	2.85	-47.10
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223605	1	49	0.0	-49.65	375.88	2.85	-46.80
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCCCC2)C=C1	REAL300020223606	0	50	-1.0	-43.73	378.92	2.74	-40.99
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCCC2)C=C1	REAL300020223606	1	50	-1.0	-43.78	378.99	2.75	-41.03
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCCC2)C=C1	REAL300020223606	1	51	0.0	-48.33	384.10	5.31	-43.02
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCCC2)C=C1	REAL300020223606	1	51	0.0	-48.13	384.81	5.30	-42.83
CC1=CC=C(C)C(NC(=O)CC2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)=C1	REAL300020223607	0	50	-1.0	-48.23	417.28	4.27	-43.96
CC1=CC=C(C)C(NC(=O)CC2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020223607	1	50	-1.0	-48.23	417.35	4.28	-43.95
CC1=CC=C(C)C(NC(=O)CC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020223607	1	51	0.0	-51.08	419.59	6.87	-44.21
CC1=CC=C(C)C(NC(=O)CC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=C1	REAL300020223607	1	51	0.0	-49.05	420.16	7.00	-42.05
CC1=CC=CC=C1NC(=O)CC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020223608	0	47	-1.0	-48.20	395.87	3.60	-44.60
CC1=CC=CC=C1NC(=O)CC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223608	1	47	-1.0	-48.16	395.94	3.62	-44.54
CC1=CC=CC=C1NC(=O)CC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223608	1	48	0.0	-46.87	398.56	6.15	-40.72
CC1=CC=CC=C1NC(=O)CC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223608	1	48	0.0	-49.04	398.78	6.33	-42.71
CC1=CC=C(NC(=O)CC2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020223609	0	47	-1.0	-55.16	391.99	3.43	-51.73
CC1=CC=C(NC(=O)CC2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223609	1	47	-1.0	-55.14	392.06	3.45	-51.69
CC1=CC=C(NC(=O)CC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223609	1	48	0.0	-46.69	402.18	5.98	-40.71
CC1=CC=C(NC(=O)CC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223609	1	48	0.0	-48.75	402.31	6.16	-42.59
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020223610	0	48	0.0	-49.84	370.02	5.30	-44.54
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020223610	1	48	0.0	-49.96	370.18	5.35	-44.61
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020223610	1	47	-1.0	-45.82	364.79	2.62	-43.20
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020223610	1	47	-1.0	-45.87	364.85	2.64	-43.23
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223611	0	48	-1.0	-45.63	384.88	5.00	-40.63
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223611	1	48	-1.0	-45.64	384.95	5.02	-40.62
CC(C1=NC2=CC=CC=C2N1C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020223612	0	40	-1.0	-47.98	320.09	3.73	-44.25
CC(C1=NC2=CC=CC=C2N1C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020223612	1	40	-1.0	-47.95	320.16	3.75	-44.20
CC(C1=NC2=CC=CC=C2N1C(F)F)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223612	1	41	0.0	-40.93	334.63	6.34	-34.59
CC(C1=NC2=CC=CC=C2N1C(F)F)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223612	1	41	0.0	-40.88	335.33	6.26	-34.62
COC1=CC=C(N2C3=CC=CC=C3N=C2C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223613	0	49	0.0	-45.55	395.14	8.54	-37.01
COC1=CC=C(N2C3=CC=CC=C3N=C2C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223613	1	49	0.0	-43.17	387.09	8.17	-35.00
COC1=CC=C(N2C3=CC=CC=C3N=C2CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223613	1	48	-1.0	-42.87	392.49	6.00	-36.87
COC1=CC=C(N2C3=CC=CC=C3N=C2CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223613	1	48	-1.0	-42.90	392.56	6.01	-36.89
CC1(C)CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CC(C)(C)[NH2+]1	REAL300020223614	0	53	0.0	-65.67	385.83	1.29	-64.38
CC1(C)CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CC(C)(C)[NH2+]1	REAL300020223614	1	53	0.0	-65.64	385.91	1.29	-64.35
CC1(C)CC(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC(C)(C)[NH2+]1	REAL300020223614	1	54	1.0	-89.22	388.81	3.74	-85.48
CC1(C)CC(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC(C)(C)[NH2+]1	REAL300020223614	1	54	1.0	-85.89	389.76	3.74	-82.15
CC1=CC=C(CNC(=O)C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020223615	0	46	-1.0	-40.54	399.50	2.16	-38.38
CC1=CC=C(CNC(=O)C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020223615	1	46	-1.0	-40.56	399.57	2.16	-38.40
O=C(NCC1=CC=C(F)C=C1)C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223616	0	43	-1.0	-44.84	376.57	1.00	-43.84
O=C(NCC1=CC=C(F)C=C1)C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223616	1	43	-1.0	-44.89	376.64	1.02	-43.87
COC1=CC=C(C2=CSC(NC(=O)C(C)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223617	0	48	-1.0	-44.08	396.43	3.39	-40.69
COC1=CC=C(C2=CSC(NC(=O)C(C)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223617	1	48	-1.0	-44.11	396.50	3.41	-40.70
COC1=CC=C(C2=CSC([N-]C(=O)C(C)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223617	1	47	-2.0	-91.95	387.98	2.00	-89.95
CC1=C(C)SC(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223618	0	40	-1.0	-48.59	330.84	1.73	-46.86
CC1=C(C)SC(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223618	1	40	-1.0	-48.56	330.91	1.74	-46.82
CCOC(=O)C1=C(CN2CCC(C3=N[N-]N=N3)C2)NC(=O)NC1C1=CC=CO1	REAL300020223619	0	48	-1.0	-45.00	376.10	0.75	-44.25
CCOC(=O)C1=C(CN2CCC(C3=NN=N[N-]3)C2)NC(=O)NC1C1=CC=CO1	REAL300020223619	1	48	-1.0	-45.02	376.12	0.74	-44.28
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C2C=CC(Cl)=CN12	REAL300020223620	0	37	0.0	-51.35	321.41	5.96	-45.39
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C2C=CC(Cl)=CN12	REAL300020223620	1	37	0.0	-51.46	317.67	6.45	-45.01
CC(C(=O)NC1=CC=C(Cl)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223621	0	37	-1.0	-47.29	316.76	2.37	-44.92
CC(C(=O)NC1=CC=C(Cl)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223621	1	37	-1.0	-47.23	316.83	2.39	-44.84
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=N1	REAL300020223622	0	34	-1.0	-49.37	299.00	1.58	-47.79
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=N1	REAL300020223622	1	34	-1.0	-49.32	299.07	1.60	-47.72
CCOC1=CC=C2N=C(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020223623	0	44	-1.0	-45.18	374.93	2.96	-42.22
CCOC1=CC=C2N=C(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020223623	1	44	-1.0	-45.14	375.00	2.97	-42.17
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=NC(C2=CC=C(F)C(F)=C2)=CS1	REAL300020223624	0	41	-1.0	-44.70	361.69	3.47	-41.23
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=NC(C2=CC=C(F)C(F)=C2)=CS1	REAL300020223624	1	41	-1.0	-44.73	361.77	3.48	-41.25
O=C(CN1CCC(C2=N[N-]N=N2)C1)NNC(=O)C1=CC=CC=C1Cl	REAL300020223625	0	39	-1.0	-47.89	339.11	0.95	-46.94
O=C(CN1CCC(C2=NN=N[N-]2)C1)NNC(=O)C1=CC=CC=C1Cl	REAL300020223625	1	39	-1.0	-47.89	339.18	0.96	-46.93
O=C(CN1CCC(C2=N[N-]N=N2)C1)NNC(=O)C1=CC=CS1	REAL300020223626	0	36	-1.0	-46.79	318.72	-0.53	-47.32
O=C(CN1CCC(C2=NN=N[N-]2)C1)NNC(=O)C1=CC=CS1	REAL300020223626	1	36	-1.0	-46.80	318.80	-0.51	-47.31
O=C(CN1CCC(C2=N[N-]N=N2)C1)N[N-]C(=O)C1=CC=CS1	REAL300020223626	1	35	-2.0	-100.26	317.63	-1.25	-101.51
O=C(CN1CCC(C2=NN=N[N-]2)C1)N[N-]C(=O)C1=CC=CS1	REAL300020223626	1	35	-2.0	-100.25	317.70	-1.24	-101.49
CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC(C3=N[N-]N=N3)C1)C2=O	REAL300020223627	0	50	-1.0	-51.16	387.79	-0.09	-51.25
CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC(C3=NN=N[N-]3)C1)C2=O	REAL300020223627	1	50	-1.0	-51.19	387.86	-0.08	-51.27
O=C1NC2=CC=CC=C2N1CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223628	0	42	0.0	-54.64	339.02	5.53	-49.11
O=C1NC2=CC=CC=C2N1CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223628	1	42	0.0	-51.39	338.46	5.53	-45.86
O=C1NC2=CC=CC=C2N1CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223628	1	42	0.0	-54.61	338.95	5.52	-49.09
O=C1NC2=CC=CC=C2N1CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223628	1	42	0.0	-51.34	338.39	5.51	-45.83
CC(=O)N1CCC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223629	0	45	-1.0	-51.11	348.05	-0.04	-51.15
CC(=O)N1CCC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223629	1	45	-1.0	-51.08	348.11	-0.03	-51.11
CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223629	1	46	0.0	-53.26	352.98	2.60	-50.66
CC(=O)N1CCC(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223629	1	46	0.0	-56.96	353.42	2.64	-54.32
COC1=CC=CC(NC(=O)CN(C)C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223630	0	49	-1.0	-57.41	393.64	1.52	-55.89
COC1=CC=CC(NC(=O)CN(C)C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223630	1	49	-1.0	-57.41	393.70	1.54	-55.87
COC1=CC=CC(NC(=O)CN(C)C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223630	1	50	0.0	-54.45	398.51	4.14	-50.31
COC1=CC=CC(NC(=O)CN(C)C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223630	1	50	0.0	-50.51	399.16	4.16	-46.35
O=C(CNC(=O)CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(F)C(F)=C1	REAL300020223631	0	42	-1.0	-47.12	357.66	0.02	-47.10
O=C(CNC(=O)CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(F)C(F)=C1	REAL300020223631	1	42	-1.0	-47.07	357.72	0.04	-47.03
CC1=CC(N2CCCC2)=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223632	0	50	-1.0	-48.41	378.99	2.81	-45.60
CC1=CC(N2CCCC2)=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223632	1	50	-1.0	-48.40	379.06	2.82	-45.58
CC1=CC(N2CCCC2)=CC=C1NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223632	1	51	0.0	-52.15	387.61	5.42	-46.73
CC1=CC(N2CCCC2)=CC=C1NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223632	1	51	0.0	-50.05	387.05	5.44	-44.61
CC(C)NC(=O)C1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223633	0	48	-1.0	-49.62	382.65	2.03	-47.59
CC(C)NC(=O)C1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223633	1	48	-1.0	-49.59	382.73	2.03	-47.56
CC1=NN(C2=CC=C(C)C=C2)C(C)=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223634	0	51	-1.0	-51.45	403.60	4.42	-47.03
CC1=NN(C2=CC=C(C)C=C2)C(C)=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223634	1	51	-1.0	-51.49	403.67	4.42	-47.07
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=NN1C1CCCC1	REAL300020223635	0	45	-1.0	-45.14	351.28	3.09	-42.05
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=NN1C1CCCC1	REAL300020223635	1	45	-1.0	-45.16	351.36	3.10	-42.06
CN1C2=C(C(=O)N(C)C1=O)N(CC[N@@H+]1CCC(C3=NN=N[N-]3)C1)C=N2	REAL300020223636	0	44	0.0	-62.19	353.81	6.23	-55.96
CN1C2=C(C(=O)N(C)C1=O)N(CC[N@H+]1CCC(C3=NN=N[N-]3)C1)C=N2	REAL300020223636	1	44	0.0	-59.22	353.45	6.31	-52.91
CCN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=NC2=CC=CC=C2S1	REAL300020223637	0	43	-1.0	-42.19	358.84	4.94	-37.25
CCN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=NC2=CC=CC=C2S1	REAL300020223637	1	43	-1.0	-42.21	358.92	4.96	-37.25
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(=O)NC1=CC=C2OCCCOC2=C1	REAL300020223638	0	48	-1.0	-64.11	386.36	1.54	-62.57
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(=O)NC1=CC=C2OCCCOC2=C1	REAL300020223638	1	48	-1.0	-64.12	386.44	1.56	-62.56
CC(=O)C1=C(C)NC(C(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020223639	0	45	-1.0	-48.79	364.81	3.35	-45.44
CC(=O)C1=C(C)NC(C(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223639	1	45	-1.0	-48.83	364.87	3.37	-45.46
CC(=O)C1=C(C)NC(C(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223639	1	46	0.0	-48.34	366.38	5.76	-42.58
CC(=O)C1=C(C)NC(C(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223639	1	46	0.0	-50.38	366.22	5.73	-44.65
CCN1C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)N2C2=CC=CC=C2C1=O	REAL300020223640	0	45	-1.0	-42.39	363.47	7.44	-34.95
CCN1C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)N2C2=CC=CC=C2C1=O	REAL300020223640	1	45	-1.0	-42.43	363.54	7.45	-34.98
COC1=CC=CC=C1NC1=NC(N)=NC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223641	0	46	-1.0	-42.27	375.89	5.39	-36.88
COC1=CC=CC=C1NC1=NC(N)=NC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223641	1	46	-1.0	-42.27	375.96	5.40	-36.87
CC1=C(C)N(C2CCCCC2)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1C#N	REAL300020223642	0	56	-1.0	-57.11	424.90	6.97	-50.14
CC1=C(C)N(C2CCCCC2)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020223642	1	56	-1.0	-57.17	424.96	6.98	-50.19
NC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=NC(NC2=CC=C(F)C=C2)=N1	REAL300020223643	0	42	-1.0	-39.83	354.73	5.93	-33.90
NC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=NC(NC2=CC=C(F)C=C2)=N1	REAL300020223643	1	42	-1.0	-39.82	354.80	5.94	-33.88
CC1=CSC(CC(=O)NNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223644	0	41	-1.0	-48.87	356.08	-1.35	-50.22
CC1=CSC(CC(=O)NNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223644	1	41	-1.0	-48.86	356.14	-1.33	-50.19
CCOC(=O)C(C1=CC=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020223645	0	40	-1.0	-37.71	352.13	5.89	-31.82
CCOC(=O)C(C1=CC=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020223645	1	40	-1.0	-37.70	352.20	5.89	-31.81
CCCCCCCCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223646	0	55	0.0	-46.10	413.07	10.44	-35.66
CCCCCCCCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223646	1	55	0.0	-45.86	414.26	10.49	-35.37
CCCCCCCCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223646	1	55	0.0	-46.05	412.99	10.42	-35.63
CCCCCCCCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223646	1	55	0.0	-45.79	414.19	10.49	-35.30
NC(=O)C(C1=CC=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020223647	0	35	-1.0	-40.88	301.88	-0.08	-40.96
NC(=O)C(C1=CC=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020223647	1	35	-1.0	-40.90	301.96	-0.07	-40.97
CC(NC(=O)CNC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020223648	0	48	-1.0	-46.71	394.91	0.92	-45.79
CC(NC(=O)CNC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020223648	1	48	-1.0	-46.72	394.98	0.94	-45.78
O=C(NCC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1)C1=CC=CC=C1	REAL300020223649	0	44	-1.0	-38.48	372.06	2.22	-36.26
O=C(NCC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1)C1=CC=CC=C1	REAL300020223649	1	44	-1.0	-38.47	372.14	2.24	-36.23
O=C(NCC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1)C1=CC=CC=C1	REAL300020223649	1	45	0.0	-50.67	382.24	4.77	-45.90
O=C(NCC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1)C1=CC=CC=C1	REAL300020223649	1	45	0.0	-54.06	382.43	4.94	-49.12
O=C(CC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1)NC1=CC=CC=C1	REAL300020223650	0	44	-1.0	-47.63	378.06	2.75	-44.88
O=C(CC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1)NC1=CC=CC=C1	REAL300020223650	1	44	-1.0	-47.64	378.13	2.76	-44.88
O=C(CC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1)NC1=CC=CC=C1	REAL300020223650	1	45	0.0	-46.75	380.77	5.30	-41.45
O=C(CC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1)NC1=CC=CC=C1	REAL300020223650	1	45	0.0	-48.77	380.97	5.48	-43.29
N#CC1=CC=CC(C(=O)NNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223651	0	40	-1.0	-48.75	347.41	0.83	-47.92
N#CC1=CC=CC(C(=O)NNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223651	1	40	-1.0	-48.78	347.49	0.84	-47.94
NC(=O)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223652	0	43	0.0	-63.58	360.68	1.96	-61.62
NC(=O)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223652	1	43	0.0	-71.64	360.19	1.99	-69.65
NC(=O)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223652	1	43	0.0	-63.53	360.60	1.94	-61.59
NC(=O)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223652	1	43	0.0	-71.59	360.12	1.98	-69.61
CC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223653	0	42	0.0	-59.22	330.84	5.53	-53.69
CC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223653	1	42	0.0	-58.17	332.04	5.58	-52.59
CC1=CC=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223653	1	42	0.0	-59.22	330.76	5.52	-53.70
CC1=CC=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223653	1	42	0.0	-58.13	331.96	5.57	-52.56
CC1=CC=CC(C(=O)NNC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223654	0	42	-1.0	-47.06	347.98	1.10	-45.96
CC1=CC=CC(C(=O)NNC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223654	1	42	-1.0	-47.07	348.05	1.12	-45.95
COC(=O)C(C1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020223655	0	37	-1.0	-37.85	332.84	5.23	-32.62
COC(=O)C(C1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020223655	1	37	-1.0	-37.85	332.92	5.24	-32.61
COC(=O)C(C1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020223656	0	37	-1.0	-39.88	309.10	4.36	-35.52
COC(=O)C(C1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020223656	1	37	-1.0	-39.87	309.17	4.37	-35.50
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC(F)=CC(F)=C1	REAL300020223657	0	39	0.0	-55.47	326.36	4.73	-50.74
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC(F)=CC(F)=C1	REAL300020223657	1	39	0.0	-60.67	327.11	4.86	-55.81
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC(F)=CC(F)=C1	REAL300020223657	1	39	0.0	-55.39	326.29	4.73	-50.66
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC(F)=CC(F)=C1	REAL300020223657	1	39	0.0	-60.61	327.03	4.86	-55.75
CCNC(=O)C1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223658	0	45	-1.0	-56.10	363.93	0.59	-55.51
CCNC(=O)C1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223658	1	45	-1.0	-56.12	364.00	0.61	-55.51
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223659	0	45	0.0	-57.97	369.71	4.71	-53.26
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223659	1	45	0.0	-62.63	370.43	4.83	-57.80
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223659	1	45	0.0	-57.86	369.65	4.70	-53.16
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223659	1	45	0.0	-62.60	370.35	4.83	-57.77
N#CC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223660	0	40	0.0	-61.59	334.70	5.04	-56.55
N#CC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223660	1	40	0.0	-63.25	334.98	5.00	-58.25
N#CC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223660	1	40	0.0	-61.53	334.63	5.03	-56.50
N#CC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223660	1	40	0.0	-63.18	334.91	4.98	-58.20
CC1=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020223661	0	44	0.0	-58.58	353.31	5.98	-52.60
CC1=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020223661	1	44	0.0	-63.19	358.20	6.22	-56.97
CC1=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020223661	1	44	0.0	-58.54	353.24	5.97	-52.57
CC1=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020223661	1	44	0.0	-63.18	358.13	6.22	-56.96
CC1=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020223662	0	43	-1.0	-48.86	346.79	3.67	-45.19
CC1=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020223662	1	43	-1.0	-48.89	346.86	3.69	-45.20
CC(C(=O)NC1=NC2=CC=C(F)C=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223663	0	40	-1.0	-54.43	346.02	3.34	-51.09
CC(C(=O)NC1=NC2=CC=C(F)C=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223663	1	40	-1.0	-54.47	346.09	3.35	-51.12
CC(C(=O)[N-]C1=NC2=CC=C(F)C=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223663	1	39	-2.0	-90.22	335.80	1.86	-88.36
CC(=O)C1=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020223664	0	46	-1.0	-51.98	371.23	3.39	-48.59
CC(=O)C1=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020223664	1	46	-1.0	-51.97	371.30	3.40	-48.57
CC1=C(C)C(C#N)=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020223665	0	42	-1.0	-41.84	352.59	2.81	-39.03
CC1=C(C)C(C#N)=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223665	1	42	-1.0	-41.83	352.66	2.82	-39.01
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCCCC2)N=C1	REAL300020223666	0	49	-1.0	-46.36	378.57	2.25	-44.11
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCCC2)N=C1	REAL300020223666	1	49	-1.0	-46.35	378.65	2.25	-44.10
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC=C1CN1C=CC=N1	REAL300020223667	0	48	-1.0	-51.80	389.08	3.60	-48.20
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC=C1CN1C=CC=N1	REAL300020223667	1	48	-1.0	-51.80	389.15	3.60	-48.20
CC(=O)NC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1	REAL300020223668	0	45	-1.0	-47.58	376.63	1.66	-45.92
CC(=O)NC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020223668	1	45	-1.0	-47.59	376.70	1.68	-45.91
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1=CN(C2=CC=CC=C2)N=C1	REAL300020223669	0	48	-1.0	-46.43	396.06	3.84	-42.59
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1=CN(C2=CC=CC=C2)N=C1	REAL300020223669	1	48	-1.0	-46.43	396.13	3.85	-42.58
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(C1=CC=CC=C1)C1CC1	REAL300020223670	0	45	-1.0	-44.27	354.48	3.79	-40.48
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(C1=CC=CC=C1)C1CC1	REAL300020223670	1	45	-1.0	-44.21	354.54	3.81	-40.40
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC#CC1=CC=CC(C(F)(F)F)=C1	REAL300020223671	0	43	-1.0	-45.34	378.44	3.99	-41.35
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC#CC1=CC=CC(C(F)(F)F)=C1	REAL300020223671	1	43	-1.0	-45.39	378.50	4.01	-41.38
COC(=O)C1(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020223672	0	47	-1.0	-46.13	356.72	3.06	-43.07
COC(=O)C1(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020223672	1	47	-1.0	-46.14	356.79	3.07	-43.07
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OC3(CCCC3)OC2=C1	REAL300020223673	0	48	-1.0	-51.07	377.96	2.83	-48.24
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OC3(CCCC3)OC2=C1	REAL300020223673	1	48	-1.0	-51.10	378.02	2.85	-48.25
NC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223674	0	38	0.0	-55.80	313.60	3.05	-52.75
NC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223674	1	38	0.0	-59.05	313.73	3.10	-55.95
NC(=O)C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223674	1	37	-1.0	-56.65	311.61	1.35	-55.30
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC([N+](=O)[O-])=CC=C21	REAL300020223675	0	41	-1.0	-46.16	336.24	4.13	-42.03
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC([N+](=O)[O-])=CC=C21	REAL300020223675	1	41	-1.0	-46.20	336.31	4.14	-42.06
CC1CC2=CC(S(N)(=O)=O)=CC=C2N1C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223676	0	47	-1.0	-52.36	380.34	-0.87	-53.23
CC1CC2=CC(S(N)(=O)=O)=CC=C2N1C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223676	1	47	-1.0	-52.36	380.41	-0.86	-53.22
CC1CC2=CC(S(N)(=O)=O)=CC=C2N1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223676	1	48	0.0	-54.32	383.90	1.55	-52.77
CC1CC2=CC(S(N)(=O)=O)=CC=C2N1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223676	1	48	0.0	-56.28	383.42	1.54	-54.74
CC1=NC(C2=CC=C3C(=C2)CCN3C(=O)CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020223677	0	48	-1.0	-47.95	392.48	4.89	-43.06
CC1=NC(C2=CC=C3C(=C2)CCN3C(=O)CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223677	1	48	-1.0	-47.90	392.56	4.89	-43.01
CC1=NC(C2=CC=C3C(=C2)CCN3C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223677	1	49	0.0	-52.33	395.76	7.36	-44.97
CC1=NC(C2=CC=C3C(=C2)CCN3C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020223677	1	49	0.0	-47.86	396.62	7.35	-40.51
NS(=O)(=O)C1=CC=C2C(=C1)CCN2C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223678	0	44	-1.0	-54.36	366.27	-1.29	-55.65
NS(=O)(=O)C1=CC=C2C(=C1)CCN2C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223678	1	44	-1.0	-54.39	366.34	-1.28	-55.67
CN1C(=O)C2=CC=CC=C2N=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223679	0	39	-1.0	-42.18	316.13	3.68	-38.50
CN1C(=O)C2=CC=CC=C2N=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223679	1	39	-1.0	-42.19	316.20	3.70	-38.49
CN1C(=O)C2=CC=CC=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223679	1	40	0.0	-56.20	318.25	6.19	-50.01
CN1C(=O)C2=CC=CC=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223679	1	40	0.0	-56.30	318.00	6.19	-50.11
CC1=C2C(=C(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)O1)C(=O)NN=C2C	REAL300020223680	0	43	-1.0	-50.67	353.49	-0.91	-51.58
CC1=C2C(=C(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)O1)C(=O)NN=C2C	REAL300020223680	1	43	-1.0	-50.74	353.56	-0.89	-51.63
CC1=CC=C(C2=CSC(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223681	0	44	-1.0	-43.73	370.40	4.03	-39.70
CC1=CC=C(C2=CSC(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223681	1	44	-1.0	-43.69	370.47	4.04	-39.65
CC(C1=NC(N)=NC(N(C)C)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223682	0	41	-1.0	-45.44	331.20	4.13	-41.31
CC(C1=NC(N)=NC(N(C)C)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223682	1	41	-1.0	-45.46	331.27	4.15	-41.31
NC1=C2C3=C(CCCC3)SC2=NC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223683	0	44	-1.0	-43.19	355.53	3.11	-40.08
NC1=C2C3=C(CCCC3)SC2=NC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223683	1	44	-1.0	-43.17	355.59	3.13	-40.04
NC1=C2C3=C(CCCC3)SC2=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223683	1	45	0.0	-42.18	358.53	5.65	-36.53
NC1=C2C3=C(CCCC3)SC2=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223683	1	45	0.0	-43.09	357.18	5.75	-37.34
CC(C1=NC(N)=NC(NC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223684	0	45	-1.0	-42.77	367.36	6.03	-36.74
CC(C1=NC(N)=NC(NC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223684	1	45	-1.0	-42.72	367.42	6.05	-36.67
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1C2=CC=CC=C2NC(=O)C12CCCC2	REAL300020223685	0	50	-1.0	-45.21	376.67	2.62	-42.59
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1C2=CC=CC=C2NC(=O)C12CCCC2	REAL300020223685	1	50	-1.0	-45.18	376.74	2.64	-42.54
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1C2=CC=CC=C2NC(=O)C12CCCC2	REAL300020223685	1	51	0.0	-54.13	378.72	5.13	-49.00
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1C2=CC=CC=C2NC(=O)C12CCCC2	REAL300020223685	1	51	0.0	-50.27	382.08	5.30	-44.97
CC1CCC2=C(C1)SC1=NC(CC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NC(N)=C12	REAL300020223686	0	51	0.0	-49.74	400.16	7.00	-42.74
CC1CCC2=C(C1)SC1=NC(CC[N@H+]3CCC(C4=NN=N[N-]4)C3)=NC(N)=C12	REAL300020223686	1	51	0.0	-50.97	399.13	7.05	-43.92
O=C1C2=CC=CC=C2N=C(CN2CCC(C3=N[N-]N=N3)C2)N1CC1=CC=CO1	REAL300020223687	0	46	-1.0	-46.51	374.58	5.81	-40.70
O=C1C2=CC=CC=C2N=C(CN2CCC(C3=NN=N[N-]3)C2)N1CC1=CC=CO1	REAL300020223687	1	46	-1.0	-46.49	374.65	5.81	-40.68
COC1=CC(OC)=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223688	0	43	-1.0	-48.49	359.48	0.67	-47.82
COC1=CC(OC)=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223688	1	43	-1.0	-48.50	359.55	0.69	-47.81
CS(=O)(=O)C1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223689	0	41	-1.0	-55.84	348.51	-0.91	-56.75
CS(=O)(=O)C1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223689	1	41	-1.0	-55.87	348.58	-0.91	-56.78
CC1=CC=C(OC2=CC=CC=C2NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223690	0	49	-1.0	-46.29	398.16	5.22	-41.07
CC1=CC=C(OC2=CC=CC=C2NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223690	1	49	-1.0	-46.33	398.24	5.23	-41.10
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1Cl	REAL300020223691	0	35	-1.0	-42.18	323.85	2.84	-39.34
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1Cl	REAL300020223691	1	35	-1.0	-42.17	323.92	2.84	-39.33
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=C(F)C=C(F)C=C1Br	REAL300020223692	0	35	-1.0	-42.31	323.52	2.50	-39.81
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=C(F)C=C(F)C=C1Br	REAL300020223692	1	35	-1.0	-42.33	323.59	2.52	-39.81
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(S(=O)(=O)C(F)F)C=C1	REAL300020223693	0	41	-1.0	-52.22	361.70	-0.51	-52.73
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(S(=O)(=O)C(F)F)C=C1	REAL300020223693	1	41	-1.0	-52.21	361.77	-0.50	-52.71
COC1=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C(OC)C=C1Cl	REAL300020223694	0	43	-1.0	-44.88	359.46	0.68	-44.20
COC1=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C(OC)C=C1Cl	REAL300020223694	1	43	-1.0	-44.91	359.53	0.69	-44.22
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1S(=O)(=O)C(F)F	REAL300020223695	0	41	-1.0	-49.21	349.91	0.42	-48.79
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1S(=O)(=O)C(F)F	REAL300020223695	1	41	-1.0	-49.21	349.98	0.42	-48.79
NC1=CC=C(F)C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223696	0	41	0.0	-51.72	334.53	2.59	-49.13
NC1=CC=C(F)C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223696	1	41	0.0	-56.28	335.24	2.71	-53.57
NC1=CC=C(F)C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223696	1	41	0.0	-51.66	334.46	2.58	-49.08
NC1=CC=C(F)C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223696	1	41	0.0	-56.22	335.17	2.70	-53.52
N#CC1=CC=C(C(=O)NNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223697	0	40	-1.0	-47.47	345.67	0.64	-46.83
N#CC1=CC=C(C(=O)NNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223697	1	40	-1.0	-47.48	345.73	0.66	-46.82
COC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223698	0	43	0.0	-56.30	343.03	3.96	-52.34
COC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223698	1	43	0.0	-60.13	343.60	3.91	-56.22
COC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223698	1	43	0.0	-56.29	342.95	3.94	-52.35
COC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223698	1	43	0.0	-60.12	343.54	3.89	-56.23
COC1=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(OC)C=C1Cl	REAL300020223699	0	47	0.0	-54.85	387.01	3.88	-50.97
COC1=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(OC)C=C1Cl	REAL300020223699	1	47	0.0	-59.38	387.73	4.00	-55.38
COC1=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C(OC)C=C1Cl	REAL300020223699	1	47	0.0	-54.80	386.94	3.88	-50.92
COC1=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C(OC)C=C1Cl	REAL300020223699	1	47	0.0	-59.34	387.65	4.00	-55.34
N#CC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223700	0	40	0.0	-61.59	334.70	5.04	-56.55
N#CC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223700	1	40	0.0	-63.25	334.98	5.00	-58.25
N#CC1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223700	1	40	0.0	-61.53	334.63	5.03	-56.50
N#CC1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223700	1	40	0.0	-63.18	334.91	4.98	-58.20
CC1=CC=C(F)C=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223701	0	42	0.0	-55.43	337.75	5.53	-49.90
CC1=CC=C(F)C=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223701	1	42	0.0	-61.18	338.47	5.65	-55.53
CC1=CC=C(F)C=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223701	1	42	0.0	-55.40	337.68	5.52	-49.88
CC1=CC=C(F)C=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223701	1	42	0.0	-61.10	338.40	5.64	-55.46
COC1=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020223702	0	51	0.0	-64.91	405.99	3.77	-61.14
COC1=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020223702	1	51	0.0	-65.10	406.14	3.87	-61.23
COC1=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020223702	1	51	0.0	-64.87	405.92	3.76	-61.11
COC1=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020223702	1	51	0.0	-65.03	406.06	3.86	-61.17
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020223703	0	50	0.0	-55.48	402.16	7.44	-48.04
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020223703	1	50	0.0	-61.33	403.04	7.57	-53.76
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020223703	1	50	0.0	-55.42	402.09	7.44	-47.98
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020223703	1	50	0.0	-61.30	402.97	7.57	-53.73
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(F)C(Cl)=C1	REAL300020223704	0	35	-1.0	-42.18	312.52	2.32	-39.86
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(F)C(Cl)=C1	REAL300020223704	1	35	-1.0	-42.17	312.59	2.33	-39.84
CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223705	0	42	0.0	-59.07	340.25	5.37	-53.70
CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223705	1	42	0.0	-62.90	339.97	5.38	-57.52
CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020223705	1	42	0.0	-59.05	340.18	5.35	-53.70
CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020223705	1	42	0.0	-62.83	339.89	5.37	-57.46
N#CC1=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020223706	0	40	0.0	-63.93	349.72	5.47	-58.46
N#CC1=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020223706	1	40	0.0	-65.24	350.37	5.41	-59.83
N#CC1=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020223706	1	40	0.0	-63.94	349.65	5.45	-58.49
N#CC1=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020223706	1	40	0.0	-65.23	350.30	5.40	-59.83
CC1=C(F)C=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223707	0	42	0.0	-54.28	336.62	5.49	-48.79
CC1=C(F)C=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223707	1	42	0.0	-59.09	338.36	5.65	-53.44
CC1=C(F)C=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223707	1	42	0.0	-54.25	336.56	5.48	-48.77
CC1=C(F)C=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223707	1	42	0.0	-59.11	338.29	5.65	-53.46
COC1=CC(OC)=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223708	0	47	0.0	-54.97	386.99	3.87	-51.10
COC1=CC(OC)=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020223708	1	47	0.0	-60.09	387.74	4.00	-56.09
COC1=CC(OC)=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223708	1	47	0.0	-54.92	386.93	3.86	-51.06
COC1=CC(OC)=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020223708	1	47	0.0	-60.08	387.67	4.00	-56.08
CC1=C(C)C(C#N)=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223709	0	39	-1.0	-41.79	336.38	2.30	-39.49
CC1=C(C)C(C#N)=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223709	1	39	-1.0	-41.82	336.45	2.31	-39.51
ClC1=C2SC(C3=CC=C(C[N@@H+]4CCC(C5=NN=N[N-]5)C4)C=C3)=NC2=CC=C1	REAL300020223710	0	44	0.0	-53.26	384.92	9.33	-43.93
ClC1=C2SC(C3=CC=C(C[N@H+]4CCC(C5=NN=N[N-]5)C4)C=C3)=NC2=CC=C1	REAL300020223710	1	44	0.0	-54.19	383.80	9.24	-44.95
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCC2=C(C=CS2)C1C1=CC=CC=C1	REAL300020223711	0	49	-1.0	-46.75	388.96	6.66	-40.09
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1C1=CC=CC=C1	REAL300020223711	1	50	0.0	-52.86	397.07	8.94	-43.92
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1C1=CC=CC=C1	REAL300020223711	1	50	0.0	-47.69	397.97	8.97	-38.72
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCC2=C(C=CS2)C1C1=CC=CC=C1	REAL300020223711	1	49	-1.0	-46.77	389.03	6.68	-40.09
CCC1=CC=C(C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C2=CC=CS2)C=C1	REAL300020223712	0	51	-1.0	-46.28	423.82	6.16	-40.12
CCC1=CC=C(C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C2=CC=CS2)C=C1	REAL300020223712	1	51	-1.0	-46.24	423.89	6.16	-40.08
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2(CC1)OCCO2	REAL300020223713	0	45	0.0	-49.92	340.14	3.11	-46.81
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2(CC1)OCCO2	REAL300020223713	1	45	0.0	-47.40	340.91	3.19	-44.21
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCC2(CC1)OCCO2	REAL300020223713	1	44	-1.0	-45.12	338.00	0.83	-44.29
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCC2(CC1)OCCO2	REAL300020223713	1	44	-1.0	-45.12	338.08	0.84	-44.28
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=CC=C1COC1=CC=CC=C1	REAL300020223714	0	52	-1.0	-46.95	419.62	5.04	-41.91
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=CC=C1COC1=CC=CC=C1	REAL300020223714	1	52	-1.0	-46.95	419.69	5.04	-41.91
CC(C)C1=CC=C(CN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020223715	0	55	0.0	-47.58	417.07	9.45	-38.13
CC(C)C1=CC=C(CN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020223715	1	55	0.0	-49.78	415.69	9.59	-40.19
CC(C)C1=CC=C(CN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)C2CC2)C=C1	REAL300020223715	1	54	-1.0	-43.47	410.56	6.97	-36.50
CC(C)C1=CC=C(CN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020223715	1	54	-1.0	-43.51	410.63	6.98	-36.53
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(COC2=CC=CC=C2)C=C1	REAL300020223716	0	52	-1.0	-42.11	427.00	5.16	-36.95
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(COC2=CC=CC=C2)C=C1	REAL300020223716	1	52	-1.0	-42.09	427.07	5.17	-36.92
CC1=NN(C2=CC=CC=C2F)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223717	0	45	-1.0	-50.78	371.63	4.30	-46.48
CC1=NN(C2=CC=CC=C2F)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223717	1	45	-1.0	-50.81	371.69	4.32	-46.49
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCC3=CC=CC=C32)C=C1	REAL300020223718	0	51	-1.0	-47.35	410.03	6.22	-41.13
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCC3=CC=CC=C32)C=C1	REAL300020223718	1	51	-1.0	-47.35	410.10	6.22	-41.13
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCCCCC2)C=C1	REAL300020223719	0	53	-1.0	-46.07	390.99	3.05	-43.02
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCCCC2)C=C1	REAL300020223719	1	53	-1.0	-46.14	391.05	3.06	-43.08
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCCCC2)C=C1	REAL300020223719	1	54	0.0	-47.80	395.62	5.66	-42.14
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCCCC2)C=C1	REAL300020223719	1	54	0.0	-47.74	397.09	5.71	-42.03
CNS(=O)(=O)C1=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020223720	0	46	-1.0	-51.78	382.07	-1.26	-53.04
CNS(=O)(=O)C1=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020223720	1	46	-1.0	-51.78	382.14	-1.25	-53.03
CN(C)C1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223721	0	46	-1.0	-46.55	365.28	2.13	-44.42
CN(C)C1=CC=C(CNC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223721	1	47	0.0	-46.29	369.73	4.58	-41.71
CN(C)C1=CC=C(CNC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223721	1	47	0.0	-48.81	368.19	4.57	-44.24
CN(C)C1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223721	1	46	-1.0	-46.54	365.35	2.14	-44.40
CCC1(C2=CC=CC=C2)NC(=O)N(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020223722	0	50	-1.0	-53.09	406.41	1.65	-51.44
CCC1(C2=CC=CC=C2)NC(=O)N(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020223722	1	50	-1.0	-53.11	406.47	1.66	-51.45
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC=C2F)CC1	REAL300020223723	0	48	0.0	-47.26	366.92	5.23	-42.03
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC=C2F)CC1	REAL300020223723	1	48	0.0	-47.23	367.03	5.29	-41.94
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=CC=C2F)CC1	REAL300020223723	1	47	-1.0	-46.32	361.61	2.56	-43.76
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=CC=C2F)CC1	REAL300020223723	1	47	-1.0	-46.32	361.67	2.57	-43.75
O=C1NC(CN2CCC(C3=N[N-]N=N3)C2)=NC2=C1C=NN2C1=CC=CC=C1	REAL300020223724	0	43	-1.0	-46.89	346.00	3.70	-43.19
O=C1NC(CN2CCC(C3=NN=N[N-]3)C2)=NC2=C1C=NN2C1=CC=CC=C1	REAL300020223724	1	43	-1.0	-46.92	346.02	3.71	-43.21
CN1N=CC2=C1N=C(CN1CCC(C3=N[N-]N=N3)C1)NC2=O	REAL300020223725	0	36	-1.0	-42.20	302.64	0.74	-41.46
CN1N=CC2=C1N=C(CN1CCC(C3=NN=N[N-]3)C1)NC2=O	REAL300020223725	1	36	-1.0	-42.17	302.71	0.75	-41.42
C1=CC=C(C2=NC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020223726	0	40	0.0	-52.87	326.62	6.87	-46.00
C1=CC=C(C2=NC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020223726	1	40	0.0	-52.35	324.72	6.79	-45.56
O=C1N=C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)NC2=CC=CC=C12	REAL300020223727	0	40	0.0	-69.36	324.45	4.40	-64.96
O=C1N=C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)NC2=CC=CC=C12	REAL300020223727	1	40	0.0	-74.44	323.97	4.42	-70.02
O=C1N=C(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)NC2=CC=CC=C12	REAL300020223727	1	40	0.0	-69.32	324.38	4.38	-64.94
O=C1N=C(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)NC2=CC=CC=C12	REAL300020223727	1	40	0.0	-74.40	323.90	4.41	-69.99
O=C(NC1=CC=CC=C1)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223728	0	46	0.0	-50.29	369.86	7.56	-42.73
O=C(NC1=CC=CC=C1)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223728	1	46	0.0	-51.73	367.22	7.56	-44.17
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223729	0	43	0.0	-54.89	343.00	3.89	-51.00
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223729	1	43	0.0	-60.13	344.02	4.01	-56.12
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CC(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223736	0	54	0.0	-69.66	417.21	4.82	-64.84
CC(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223736	1	54	0.0	-75.75	413.44	4.91	-70.84
CC(C(=O)NC1CC[NH+](CC2=CC=CC=C2)C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223736	1	55	1.0	-99.19	413.68	7.03	-92.16
CC(C(=O)NC1CC[NH+](CC2=CC=CC=C2)C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223736	1	55	1.0	-99.97	414.79	7.09	-92.88
CC(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)[NH+]1CCC(C2=NN=N[N-]2)C1	REAL300020223736	1	55	1.0	-99.96	408.65	6.80	-93.16
CC(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)[NH+]1CCC(C2=NN=N[N-]2)C1	REAL300020223736	1	55	1.0	-91.74	413.89	7.00	-84.74
CC(C1=NN=C(C2=CC=C([N+](=O)[O-])C=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223737	0	41	-1.0	-43.20	355.38	0.39	-42.81
CC(C1=NN=C(C2=CC=C([N+](=O)[O-])C=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223737	1	41	-1.0	-43.18	355.45	0.40	-42.78
CC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020223738	0	41	-1.0	-38.92	341.42	3.53	-35.39
CC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223738	1	41	-1.0	-38.89	341.49	3.54	-35.35
CC1=CC(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020223739	0	41	-1.0	-39.80	345.66	3.42	-36.38
CC1=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020223739	1	42	0.0	-57.70	347.24	5.73	-51.97
CC1=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020223739	1	42	0.0	-48.35	346.49	5.74	-42.61
CC1=CC(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020223739	1	41	-1.0	-39.81	345.73	3.43	-36.38
COC1=CC=C(NC(C)=O)C=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223740	0	49	-1.0	-52.16	390.97	0.54	-51.62
COC1=CC=C(NC(C)=O)C=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223740	1	49	-1.0	-52.19	391.04	0.56	-51.63
CNC(=O)C1=CC=CC(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223741	0	45	-1.0	-50.18	361.53	0.46	-49.72
CNC(=O)C1=CC=CC(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223741	1	45	-1.0	-50.22	361.59	0.48	-49.74
CNC(=O)C1=CC=CC(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223741	1	46	0.0	-59.59	364.83	2.93	-56.66
CNC(=O)C1=CC=CC(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223741	1	46	0.0	-51.48	364.35	2.81	-48.67
CC(C(=O)NC1=CC=CC=C1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223742	0	51	-1.0	-54.64	395.42	6.86	-47.78
CC(C(=O)NC1=CC=CC=C1CC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223742	1	52	0.0	-52.33	404.13	9.49	-42.84
CC(C(=O)NC1=CC=CC=C1CC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223742	1	52	0.0	-48.89	401.81	9.43	-39.46
CC(C(=O)NC1=CC=CC=C1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223742	1	51	-1.0	-54.68	395.48	6.87	-47.81
CC(C(=O)NC1=CC=CC=C1OC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223743	0	49	-1.0	-49.27	394.41	5.29	-43.98
CC(C(=O)NC1=CC=CC=C1OC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223743	1	49	-1.0	-49.26	394.49	5.30	-43.96
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020223744	0	51	0.0	-56.54	393.10	7.67	-48.87
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020223744	1	51	0.0	-56.50	392.94	7.69	-48.81
CC(NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020223744	1	50	-1.0	-47.90	389.40	5.46	-42.44
CC(NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020223744	1	50	-1.0	-47.88	389.47	5.47	-42.41
CC(NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020223745	0	51	0.0	-56.03	397.46	7.77	-48.26
CC(NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020223745	1	51	0.0	-55.88	397.27	7.78	-48.10
CC(NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020223745	1	50	-1.0	-47.10	393.91	5.52	-41.58
CC(NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1)C1=CC2=CC=CC=C2C=C1	REAL300020223745	1	50	-1.0	-47.08	393.99	5.53	-41.55
CC(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223746	0	58	1.0	-91.05	429.93	7.71	-83.34
CC(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223746	1	58	1.0	-91.20	431.17	7.75	-83.45
CC(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223746	1	57	0.0	-66.78	429.42	5.45	-61.33
CC(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223746	1	57	0.0	-66.75	429.50	5.47	-61.28
FC1=CC=C(N2N=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020223747	0	46	0.0	-46.80	368.37	8.47	-38.33
FC1=CC=C(N2N=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020223747	1	46	0.0	-46.26	370.57	8.72	-37.54
FC1=CC=C(N2N=C(CN3CCC(C4=N[N-]N=N4)C3)C3=C2CCC3)C=C1	REAL300020223747	1	45	-1.0	-41.42	368.75	5.98	-35.44
FC1=CC=C(N2N=C(CN3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020223747	1	45	-1.0	-41.47	368.82	6.00	-35.47
C1=CC=C(N2N=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020223748	0	46	0.0	-45.48	366.22	8.52	-36.96
C1=CC=C(N2N=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020223748	1	46	0.0	-45.47	362.57	8.59	-36.88
C1=CC=C(N2N=C(CN3CCC(C4=N[N-]N=N4)C3)C3=C2CCC3)C=C1	REAL300020223748	1	45	-1.0	-50.69	351.71	5.59	-45.10
C1=CC=C(N2N=C(CN3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)C=C1	REAL300020223748	1	45	-1.0	-50.69	351.79	5.60	-45.09
COC(=O)C=C1SCC(=O)N1CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223749	0	44	0.0	-53.89	366.42	5.74	-48.15
COC(=O)C=C1SCC(=O)N1CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223749	1	44	0.0	-56.21	365.86	5.74	-50.47
COC(=O)C=C1SCC(=O)N1CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223749	1	44	0.0	-53.84	366.35	5.73	-48.11
COC(=O)C=C1SCC(=O)N1CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223749	1	44	0.0	-56.16	365.80	5.72	-50.44
CC(=O)N(C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1)C1=CC=C(C)C(C)=C1	REAL300020223750	0	50	-1.0	-48.30	407.78	6.55	-41.75
CC(=O)N(C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1)C1=CC=C(C)C(C)=C1	REAL300020223750	1	50	-1.0	-48.31	407.86	6.57	-41.74
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300020223751	0	46	-1.0	-48.67	395.58	5.12	-43.55
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300020223751	1	46	-1.0	-48.66	395.66	5.13	-43.53
CC1CN(C2=CC=C(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)C=C2)CC(C)O1	REAL300020223752	0	54	-1.0	-46.70	412.40	1.73	-44.97
CC1CN(C2=CC=C(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020223752	1	54	-1.0	-46.70	412.46	1.74	-44.96
CC1CN(C2=CC=C(NC(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020223752	1	55	0.0	-49.54	413.09	4.56	-44.98
CC1CN(C2=CC=C(NC(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020223752	1	55	0.0	-49.30	413.69	4.54	-44.76
COC(=O)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223753	0	44	0.0	-48.11	378.55	7.02	-41.09
COC(=O)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223753	1	44	0.0	-50.49	378.68	7.20	-43.29
COC(=O)C1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020223753	1	43	-1.0	-40.49	375.86	4.47	-36.02
COC(=O)C1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020223753	1	43	-1.0	-40.49	375.92	4.48	-36.01
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(CSC2=CC=CC=N2)=C1	REAL300020223754	0	48	-1.0	-43.47	409.60	5.07	-38.40
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(CSC2=CC=CC=N2)=C1	REAL300020223754	1	48	-1.0	-43.45	409.67	5.08	-38.37
CC1=CC=CN2C(=O)C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020223755	0	40	0.0	-50.45	324.79	6.27	-44.18
CC1=CC=CN2C(=O)C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020223755	1	40	0.0	-51.98	321.95	6.58	-45.40
CC1=NC(C2=CC=CC(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)=C2)=CS1	REAL300020223756	0	44	-1.0	-45.52	370.51	2.90	-42.62
CC1=NC(C2=CC=CC(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)=C2)=CS1	REAL300020223756	1	44	-1.0	-45.55	370.58	2.91	-42.64
CS(=O)(=O)C1=CC=C(Cl)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223757	0	41	-1.0	-50.65	361.63	-0.43	-51.08
CS(=O)(=O)C1=CC=C(Cl)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223757	1	41	-1.0	-50.64	361.70	-0.42	-51.06
CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020223758	0	56	-1.0	-55.39	402.12	3.45	-51.94
CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223758	1	57	0.0	-58.71	405.07	5.87	-52.84
CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223758	1	57	0.0	-61.19	405.09	5.97	-55.22
CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020223758	1	56	-1.0	-55.42	402.18	3.46	-51.96
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300020223759	0	45	-1.0	-45.95	389.04	3.92	-42.03
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300020223759	1	45	-1.0	-45.93	389.10	3.94	-41.99
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CN=C1Cl	REAL300020223760	0	34	-1.0	-43.72	295.16	0.20	-43.52
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CN=C1Cl	REAL300020223760	1	34	-1.0	-43.75	295.10	0.19	-43.56
O=C(CN1CCC(C2=N[N-]N=N2)C1)NNC(=O)C1=CC=C(F)C=C1	REAL300020223761	0	39	-1.0	-45.23	331.26	0.30	-44.93
O=C(CN1CCC(C2=NN=N[N-]2)C1)NNC(=O)C1=CC=C(F)C=C1	REAL300020223761	1	39	-1.0	-45.21	331.33	0.31	-44.90
CC1=CC=C(C(=O)NNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223762	0	42	-1.0	-46.01	346.26	0.91	-45.10
CC1=CC=C(C(=O)NNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223762	1	42	-1.0	-46.07	346.33	0.92	-45.15
CC1=C(C)N(CC2=CC=CO2)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1C#N	REAL300020223763	0	50	-1.0	-57.13	417.08	5.40	-51.73
CC1=C(C)N(CC2=CC=CO2)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020223763	1	50	-1.0	-57.12	417.15	5.41	-51.71
O=C1N=C(CN2CCC(C3=N[N-]N=N3)C2)NC2=C1C=C(C1=CC=CC=C1)S2	REAL300020223764	0	43	-1.0	-59.75	366.58	4.57	-55.18
O=C1N=C(CN2CCC(C3=NN=N[N-]3)C2)NC2=C1C=C(C1=CC=CC=C1)S2	REAL300020223764	1	43	-1.0	-59.70	366.65	4.58	-55.12
COC1=CC=C(C(=O)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223765	0	41	-1.0	-57.55	338.15	1.77	-55.78
COC1=CC=C(C(=O)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223765	1	41	-1.0	-57.57	338.22	1.79	-55.78
CC(C)(C)C1=NN(C2=CC=CC=C2)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223766	0	54	-1.0	-42.81	427.26	6.49	-36.32
CC(C)(C)C1=NN(C2=CC=CC=C2)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223766	1	54	-1.0	-42.77	427.34	6.50	-36.27
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCCC2)C=C1	REAL300020223767	0	47	-1.0	-43.51	363.84	1.97	-41.54
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2)C=C1	REAL300020223767	1	47	-1.0	-43.58	363.91	1.99	-41.59
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2)C=C1	REAL300020223767	1	48	0.0	-48.88	369.03	4.54	-44.34
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2)C=C1	REAL300020223767	1	48	0.0	-48.61	369.46	4.55	-44.06
CN1C(=O)C2=CC=C(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020223768	0	42	-1.0	-53.56	351.87	0.67	-52.89
CN1C(=O)C2=CC=C(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020223768	1	42	-1.0	-53.58	351.93	0.69	-52.89
CC1=C(Cl)C=CC=C1NC(=O)CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223769	0	45	-1.0	-45.94	376.79	1.18	-44.76
CC1=C(Cl)C=CC=C1NC(=O)CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223769	1	45	-1.0	-45.86	376.85	1.20	-44.66
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O=C(NC1CC1)C(C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223770	1	43	0.0	-46.93	341.72	5.53	-41.40
O=C(NC1CC1)C(C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223770	1	43	0.0	-42.60	341.33	5.56	-37.04
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCC1=NC2=CC=CC=C2S1	REAL300020223771	0	43	-1.0	-51.23	366.93	1.93	-49.30
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCC1=NC2=CC=CC=C2S1	REAL300020223771	1	43	-1.0	-51.23	367.01	1.94	-49.29
O=S1(=O)C2=CC=CC3=CC=CC(=C23)N1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223772	0	44	0.0	-57.91	364.00	5.02	-52.89
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O=S1(=O)C2=CC=CC3=CC=CC(=C23)N1CCN1CCC(C2=N[N-]N=N2)C1	REAL300020223772	1	43	-1.0	-48.14	361.37	2.64	-45.50
O=S1(=O)C2=CC=CC3=CC=CC(=C23)N1CCN1CCC(C2=NN=N[N-]2)C1	REAL300020223772	1	43	-1.0	-48.12	361.44	2.66	-45.46
CC1=C(C)N(C2CCCC2)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1C#N	REAL300020223773	0	53	-1.0	-57.64	405.06	6.09	-51.55
CC1=C(C)N(C2CCCC2)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020223773	1	53	-1.0	-57.64	405.12	6.10	-51.54
CC(C(=O)NC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223774	0	44	-1.0	-42.58	373.38	4.16	-38.42
CC(C(=O)NC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223774	1	44	-1.0	-42.58	373.45	4.18	-38.40
CC(C(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223774	1	43	-2.0	-88.07	364.92	2.75	-85.32
CC1=CC=C(C2=CSC(NC(=O)C(C)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223775	0	47	-1.0	-43.23	388.38	4.77	-38.46
CC1=CC=C(C2=CSC(NC(=O)C(C)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223775	1	47	-1.0	-43.19	388.45	4.79	-38.40
CC1=CC=C(C2=CSC([N-]C(=O)C(C)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223775	1	46	-2.0	-92.78	379.93	3.37	-89.41
CCOC(=O)C1=C(C)C(C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C(C)N1	REAL300020223776	0	46	-1.0	-51.30	368.04	3.44	-47.86
CCOC(=O)C1=C(C)C(C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020223776	1	46	-1.0	-51.30	368.12	3.46	-47.84
CCOC(=O)C1=C(C)C(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020223776	1	47	0.0	-53.89	382.69	6.19	-47.70
CCOC(=O)C1=C(C)C(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020223776	1	47	0.0	-51.21	383.41	6.25	-44.96
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223777	0	38	0.0	-61.04	317.20	6.22	-54.82
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020223777	1	38	0.0	-61.08	317.43	6.25	-54.83
CC(C(=O)NC1=C(C#N)C2=C(CCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223778	0	43	-1.0	-45.82	361.37	3.80	-42.02
CC(C(=O)NC1=C(C#N)C2=C(CCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223778	1	43	-1.0	-45.81	361.44	3.82	-41.99
CC(C(=O)NCCC1=CC=C2OCCOC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223779	0	51	0.0	-60.32	399.95	4.60	-55.72
CC(C(=O)NCCC1=CC=C2OCCOC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223779	1	51	0.0	-55.58	398.89	4.64	-50.94
CC(C(=O)NCCC1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223779	1	50	-1.0	-50.30	396.90	2.22	-48.08
CC(C(=O)NCCC1=CC=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223779	1	50	-1.0	-50.27	396.97	2.23	-48.04
CC(C(=O)NC1=CC=CC2=NC=CC=C12)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223780	0	44	0.0	-50.36	346.52	5.13	-45.23
CC(C(=O)NC1=CC=CC2=NC=CC=C12)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223780	1	44	0.0	-57.46	344.73	5.09	-52.37
CC(C(=O)NC1=CC=CC2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020223780	1	43	-1.0	-48.83	341.82	2.82	-46.01
CC(C(=O)NC1=CC=CC2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020223780	1	43	-1.0	-48.83	341.89	2.84	-45.99
CC(C(=O)NCC1COC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223781	0	47	-1.0	-42.19	375.81	1.66	-40.53
CC(C(=O)NCC1COC2=CC=CC=C2O1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223781	1	48	0.0	-47.92	377.76	3.98	-43.94
CC(C(=O)NCC1COC2=CC=CC=C2O1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223781	1	48	0.0	-50.78	377.92	4.01	-46.77
CC(C(=O)NCC1COC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223781	1	47	-1.0	-42.16	375.88	1.68	-40.48
NC(=O)COC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223782	0	46	-1.0	-55.79	381.85	-0.87	-56.66
NC(=O)COC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223782	1	46	-1.0	-55.81	381.93	-0.85	-56.66
CC(C(=O)NC1=CC=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020223783	0	38	-1.0	-37.51	326.43	2.92	-34.59
CC(C(=O)NC1=CC=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020223783	1	38	-1.0	-37.53	326.50	2.93	-34.60
COC1=CC=C(Cl)C=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223784	0	42	-1.0	-51.18	351.16	2.18	-49.00
COC1=CC=C(Cl)C=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223784	1	42	-1.0	-51.18	351.23	2.19	-48.99
CC(C(=O)NC1=CC([N+](=O)[O-])=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020223785	0	40	-1.0	-54.27	348.79	3.56	-50.71
CC(C(=O)NC1=CC([N+](=O)[O-])=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020223785	1	40	-1.0	-54.26	348.87	3.58	-50.68
CC(C(=O)NC1=CC=CC(C#N)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223786	0	39	-1.0	-52.14	326.21	2.54	-49.60
CC(C(=O)NC1=CC=CC(C#N)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223786	1	39	-1.0	-52.19	326.27	2.55	-49.64
CC(C(=O)NC1=CC=CC(C#N)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223786	1	40	0.0	-57.17	329.22	5.04	-52.13
CC(C(=O)NC1=CC=CC(C#N)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223786	1	40	0.0	-49.98	328.74	4.92	-45.06
CC(C(=O)NC1=CC=CC=C1C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223787	0	49	0.0	-43.64	384.34	8.58	-35.06
CC(C(=O)NC1=CC=CC=C1C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223787	1	49	0.0	-50.11	383.08	8.55	-41.56
CC(C(=O)NC1=CC=CC=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223787	1	48	-1.0	-45.28	382.05	6.21	-39.07
CC(C(=O)NC1=CC=CC=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223787	1	48	-1.0	-45.25	382.11	6.22	-39.03
CC(C(=O)NC1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020223788	0	38	-1.0	-48.38	337.31	3.41	-44.97
CC(C(=O)NC1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020223788	1	38	-1.0	-48.38	337.39	3.42	-44.96
CC1=CC2=C(C=C1C(C)C)C(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223789	0	49	0.0	-55.74	380.92	9.39	-46.35
CC1=CC2=C(C=C1C(C)C)C(C[N@H+]1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223789	1	49	0.0	-55.61	380.90	9.40	-46.21
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C(O)C=C2O1	REAL300020223790	0	38	0.0	-61.49	313.62	4.15	-57.34
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C(O)C=C2O1	REAL300020223790	1	38	0.0	-60.74	312.23	4.12	-56.62
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C([O-])C=C2O1	REAL300020223790	1	37	-1.0	-82.47	310.06	4.93	-77.54
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C([O-])C=C2O1	REAL300020223790	1	37	-1.0	-81.28	308.66	4.89	-76.39
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(=O)NC1=CC=C2OCCOC2=C1	REAL300020223791	0	45	-1.0	-62.45	368.02	0.73	-61.72
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(=O)NC1=CC=C2OCCOC2=C1	REAL300020223791	1	45	-1.0	-62.44	368.09	0.74	-61.70
CCC1=CC=C2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223792	0	43	0.0	-58.35	345.54	8.44	-49.91
CCC1=CC=C2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223792	1	43	0.0	-57.23	346.68	8.41	-48.82
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC3=C(C=C2O1)CCC3	REAL300020223793	0	44	0.0	-57.35	348.20	8.91	-48.44
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC3=C(C=C2O1)CCC3	REAL300020223793	1	44	0.0	-56.64	346.80	8.87	-47.77
CCOC(=O)NC1=CC=C2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223794	0	48	0.0	-67.66	391.30	6.15	-61.51
CCOC(=O)NC1=CC=C2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223794	1	48	0.0	-66.69	389.91	6.12	-60.57
CC1=CC=C2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1C	REAL300020223795	0	43	0.0	-57.39	338.20	8.12	-49.27
CC1=CC=C2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1C	REAL300020223795	1	43	0.0	-56.98	340.74	8.12	-48.86
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)NC1=CC=CC=C1	REAL300020223796	0	49	-1.0	-51.01	394.56	4.05	-46.96
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)NC1=CC=CC=C1	REAL300020223796	1	49	-1.0	-51.03	394.63	4.06	-46.97
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223797	0	40	0.0	-39.73	312.08	8.43	-31.30
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223797	1	40	0.0	-41.04	312.18	8.50	-32.54
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223797	1	40	0.0	-39.68	312.01	8.42	-31.26
C1=CC=C2C(=C1)C1=CC=CC=C1C2[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223797	1	40	0.0	-40.94	312.10	8.50	-32.44
CC(C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223798	0	43	-1.0	-50.86	358.20	-2.74	-53.60
CC(C(=O)NC1=CC=C(S(N)(=O)=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223798	1	43	-1.0	-50.85	358.27	-2.73	-53.58
CC(C(=O)NC(=O)NC1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223799	0	48	-1.0	-65.33	369.50	2.17	-63.16
CC(C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223799	1	49	0.0	-59.04	371.82	4.50	-54.54
CC(C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223799	1	49	0.0	-68.03	371.69	4.48	-63.55
CC(C(=O)NC(=O)NC1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223799	1	48	-1.0	-65.32	369.57	2.19	-63.13
CC1=CC2=C(C=C1C)C(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223800	0	43	0.0	-56.58	339.33	8.16	-48.42
CC1=CC2=C(C=C1C)C(C[N@H+]1CCC(C3=NN=N[N-]3)C1)=CC(=O)O2	REAL300020223800	1	43	0.0	-56.40	341.90	8.16	-48.24
COC(=O)C1=CC=C(CNC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223801	0	47	-1.0	-47.27	385.25	3.08	-44.19
COC(=O)C1=CC=C(CNC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223801	1	48	0.0	-47.98	388.81	5.34	-42.64
COC(=O)C1=CC=C(CNC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223801	1	48	0.0	-48.62	388.97	5.32	-43.30
COC(=O)C1=CC=C(CNC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223801	1	47	-1.0	-47.28	385.32	3.10	-44.18
CC(C(=O)N(CCC#N)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223802	0	45	-1.0	-46.76	354.19	4.70	-42.06
CC(C(=O)N(CCC#N)C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223802	1	46	0.0	-54.23	357.03	6.88	-47.35
CC(C(=O)N(CCC#N)C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223802	1	46	0.0	-54.39	356.69	7.03	-47.36
CC(C(=O)N(CCC#N)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223802	1	45	-1.0	-46.81	354.26	4.71	-42.10
CC1=CC=CC(CC2=CN=C(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)S2)=C1	REAL300020223803	0	47	-1.0	-50.53	397.26	5.26	-45.27
CC1=CC=CC(CC2=CN=C(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)S2)=C1	REAL300020223803	1	47	-1.0	-50.45	397.20	5.25	-45.20
CC1=CC=C2N=C(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020223804	0	40	-1.0	-45.81	344.97	3.41	-42.40
CC1=CC=C2N=C(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020223804	1	40	-1.0	-45.82	345.04	3.42	-42.40
CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223805	0	51	-1.0	-48.97	402.41	2.72	-46.25
CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223805	1	51	-1.0	-48.97	402.48	2.73	-46.24
N#CC1=CC=CC=C1C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223806	0	43	0.0	-48.98	355.91	9.27	-39.71
N#CC1=CC=CC=C1C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223806	1	43	0.0	-50.00	354.14	9.24	-40.76
CCCCC(C(=O)NC1=NOC(C)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223807	0	46	-1.0	-43.62	357.39	3.73	-39.89
CCCCC(C(=O)NC1=NOC(C)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223807	1	46	-1.0	-43.62	357.46	3.74	-39.88
CCCCC(C(=O)NC1=NOC(C)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223807	1	47	0.0	-50.61	357.65	5.81	-44.80
CCCCC(C(=O)NC1=NOC(C)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223807	1	47	0.0	-56.34	363.56	5.98	-50.36
FC1=CC=C(C(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C(F)C=C2)C=C1	REAL300020223808	0	51	0.0	-54.66	404.87	11.18	-43.48
FC1=CC=C(C(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C(F)C=C2)C=C1	REAL300020223808	1	51	0.0	-54.68	404.31	11.18	-43.50
FC1=CC=C(C(CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C2=CC=C(F)C=C2)C=C1	REAL300020223808	1	51	0.0	-54.66	404.80	11.17	-43.49
FC1=CC=C(C(CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C2=CC=C(F)C=C2)C=C1	REAL300020223808	1	51	0.0	-54.65	404.24	11.16	-43.49
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223809	0	45	0.0	-59.17	369.69	4.69	-54.48
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223809	1	45	0.0	-64.26	370.43	4.82	-59.44
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223809	1	45	0.0	-59.15	369.62	4.68	-54.47
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223809	1	45	0.0	-64.27	370.36	4.82	-59.45
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223810	0	45	0.0	-59.53	366.33	5.00	-54.53
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223810	1	45	0.0	-58.12	367.55	5.04	-53.08
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020223810	1	45	0.0	-59.52	366.25	4.98	-54.54
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020223810	1	45	0.0	-58.09	367.47	5.04	-53.05
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020223811	0	41	0.0	-54.35	336.13	5.55	-48.80
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020223811	1	41	0.0	-57.65	336.88	5.68	-51.97
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020223811	1	41	0.0	-54.30	336.06	5.55	-48.75
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020223811	1	41	0.0	-57.63	336.81	5.68	-51.95
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223812	0	44	0.0	-61.15	359.54	6.12	-55.03
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223812	1	44	0.0	-67.71	361.23	6.29	-61.42
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223812	1	44	0.0	-61.12	359.48	6.11	-55.01
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223812	1	44	0.0	-67.59	361.16	6.28	-61.31
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C([N+](=O)[O-])C=C1	REAL300020223813	0	41	0.0	-61.20	341.96	5.26	-55.94
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C([N+](=O)[O-])C=C1	REAL300020223813	1	41	0.0	-66.24	342.43	5.40	-60.84
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C([N+](=O)[O-])C=C1	REAL300020223813	1	41	0.0	-61.18	341.89	5.25	-55.93
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C([N+](=O)[O-])C=C1	REAL300020223813	1	41	0.0	-66.21	342.36	5.39	-60.82
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223814	0	44	0.0	-67.23	359.01	6.19	-61.04
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223814	1	44	0.0	-66.05	361.21	6.28	-59.77
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223814	1	44	0.0	-67.17	358.94	6.18	-60.99
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223814	1	44	0.0	-66.04	361.14	6.27	-59.77
N#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223815	0	40	0.0	-58.06	334.59	4.99	-53.07
N#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223815	1	40	0.0	-63.22	335.34	5.11	-58.11
N#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223815	1	40	0.0	-58.06	334.52	4.99	-53.07
N#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223815	1	40	0.0	-63.20	335.27	5.11	-58.09
CC(C)(C)NC(=O)CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223816	0	44	-1.0	-45.53	344.94	-1.70	-47.23
CC(C)(C)NC(=O)CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223816	1	44	-1.0	-45.54	345.01	-1.68	-47.22
COC(=O)NC1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223817	0	46	-1.0	-51.07	380.93	-0.03	-51.10
COC(=O)NC1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223817	1	46	-1.0	-51.06	381.01	-0.02	-51.08
CC1=CC=CC=C1C(=O)NC1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223818	0	56	0.0	-50.26	427.11	6.38	-43.88
CC1=CC=CC=C1C(=O)NC1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223818	1	56	0.0	-53.53	426.19	6.41	-47.12
CC1=CC=CC=C1C(=O)NC1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020223818	1	55	-1.0	-47.51	423.95	4.09	-43.42
CC1=CC=CC=C1C(=O)NC1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020223818	1	55	-1.0	-47.49	424.02	4.10	-43.39
CN1N=C(C(C)(C)C)C=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223819	0	47	-1.0	-42.93	372.08	2.90	-40.03
CN1N=C(C(C)(C)C)C=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223819	1	47	-1.0	-42.96	372.15	2.91	-40.05
CC(C)C1=CC=C(CN2NC=CC2=NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223820	0	54	-1.0	-56.38	429.37	5.00	-51.38
CC(C)C1=CC=C(CN2NC=CC2=NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223820	1	54	-1.0	-56.38	429.43	5.01	-51.37
CC1=CC=CC(CN2NC=CC2=NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223821	0	48	-1.0	-56.50	390.54	3.73	-52.77
CC1=CC=CC(CN2NC=CC2=NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223821	1	48	-1.0	-56.49	390.60	3.75	-52.74
CC(C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223822	0	51	-1.0	-63.48	373.94	3.71	-59.77
CC(C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223822	1	52	0.0	-59.63	379.47	6.14	-53.49
CC(C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223822	1	52	0.0	-65.26	376.66	6.07	-59.19
CC(C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223822	1	51	-1.0	-63.50	374.00	3.72	-59.78
CC(C(=O)N1C2=CC=CC=C2CCC1C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223823	0	49	0.0	-48.36	356.11	7.30	-41.06
CC(C(=O)N1C2=CC=CC=C2CCC1C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223823	1	49	0.0	-41.54	357.04	7.32	-34.22
CC(C(=O)N1C2=CC=CC=C2CCC1C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223823	1	48	-1.0	-39.58	353.84	4.84	-34.74
CC(C(=O)N1C2=CC=CC=C2CCC1C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223823	1	48	-1.0	-39.51	353.91	4.86	-34.65
CC(C(=O)N(C)CC1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223824	0	46	-1.0	-52.43	375.74	3.53	-48.90
CC(C(=O)N(C)CC1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223824	1	46	-1.0	-52.45	375.81	3.54	-48.91
C=CCN(CC1=CC=CS1)C(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223825	0	45	-1.0	-54.94	366.79	4.66	-50.28
C=CCN(CC1=CC=CS1)C(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223825	1	46	0.0	-46.91	373.80	7.20	-39.71
C=CCN(CC1=CC=CS1)C(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223825	1	46	0.0	-42.96	368.10	7.00	-35.96
C=CCN(CC1=CC=CS1)C(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223825	1	45	-1.0	-54.94	366.85	4.67	-50.27
O=C1N=C(CN2CCC(C3=N[N-]N=N3)C2)NC2=C1SC=C2	REAL300020223826	0	33	-1.0	-59.76	289.16	0.66	-59.10
O=C1N=C(CN2CCC(C3=NN=N[N-]3)C2)NC2=C1SC=C2	REAL300020223826	1	33	-1.0	-59.74	289.23	0.67	-59.07
CC1=CC=CC=C1NC1=NC(N)=NC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223827	0	45	-1.0	-40.47	365.88	6.79	-33.68
CC1=CC=CC=C1NC1=NC(N)=NC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223827	1	45	-1.0	-40.49	365.95	6.80	-33.69
O=C1N=C(CN2CCC(C3=N[N-]N=N3)C2)NC2=CC(Cl)=CC=C12	REAL300020223828	0	36	-1.0	-53.48	315.21	2.20	-51.28
O=C1N=C(CN2CCC(C3=NN=N[N-]3)C2)NC2=CC(Cl)=CC=C12	REAL300020223828	1	36	-1.0	-53.48	315.28	2.21	-51.27
CC(=O)NC1=CC=C2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223829	0	44	0.0	-69.22	358.62	5.89	-63.33
CC(=O)NC1=CC=C2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)OC2=C1	REAL300020223829	1	44	0.0	-68.36	357.22	5.88	-62.48
CC(C(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223830	0	52	-1.0	-48.92	415.31	5.58	-43.34
CC(C(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223830	1	53	0.0	-58.10	419.56	7.77	-50.33
CC(C(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223830	1	53	0.0	-49.71	417.58	7.82	-41.89
CC(C(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223830	1	52	-1.0	-48.93	415.38	5.59	-43.34
O=S1(=O)[N-]C(CN2CCC(C3=N[N-]N=N3)C2)=NC2=CC=CC=C21	REAL300020223831	0	36	-2.0	-86.68	313.32	-0.09	-86.77
O=S1(=O)NC(CN2CCC(C3=N[N-]N=N3)C2)=NC2=CC=CC=C21	REAL300020223831	1	37	-1.0	-47.31	316.58	-0.04	-47.35
O=S1(=O)[N-]C(CN2CCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C21	REAL300020223831	1	36	-2.0	-86.64	313.39	-0.08	-86.72
COC(=O)C(C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223832	0	37	-1.0	-44.44	315.15	4.29	-40.15
COC(=O)C(C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223832	1	37	-1.0	-44.43	315.21	4.30	-40.13
COC1=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020223833	0	51	0.0	-64.91	405.99	3.77	-61.14
COC1=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020223833	1	51	0.0	-65.10	406.14	3.87	-61.23
COC1=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020223833	1	51	0.0	-64.87	405.92	3.76	-61.11
COC1=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020223833	1	51	0.0	-65.03	406.06	3.86	-61.17
O=C(NC1CC1)C(C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223834	0	42	-1.0	-48.36	350.53	3.46	-44.90
O=C(NC1CC1)C(C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223834	1	42	-1.0	-48.37	350.59	3.47	-44.90
COC1=CC=C(CN2CCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020223835	0	54	-1.0	-45.12	414.91	2.47	-42.65
COC1=CC=C(CN2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223835	1	55	0.0	-47.97	417.69	4.80	-43.17
COC1=CC=C(CN2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223835	1	55	0.0	-47.40	417.10	4.66	-42.74
COC1=CC=C(CN2CCN(C(=O)CN3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020223835	1	54	-1.0	-45.12	414.98	2.48	-42.64
CCN1C2=CC=CC(F)=C2N=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223836	0	40	-1.0	-49.84	318.48	3.69	-46.15
CCN1C2=CC=CC(F)=C2N=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223836	1	40	-1.0	-49.85	318.55	3.70	-46.15
CCN1C2=CC=CC(F)=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223836	1	41	0.0	-51.95	330.71	6.89	-45.06
CCN1C2=CC=CC(F)=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223836	1	41	0.0	-52.52	333.61	7.03	-45.49
CN1N=CC2=C(N3CCN(C(=O)C[N@@H+]4CCC(C5=NN=N[N-]5)C4)CC3)N=CN=C21	REAL300020223837	0	52	0.0	-55.37	402.38	5.20	-50.17
CN1N=CC2=C(N3CCN(C(=O)C[N@H+]4CCC(C5=NN=N[N-]5)C4)CC3)N=CN=C21	REAL300020223837	1	52	0.0	-55.71	402.53	5.21	-50.50
CN1N=CC2=C(N3CCN(C(=O)CN4CCC(C5=N[N-]N=N5)C4)CC3)N=CN=C21	REAL300020223837	1	51	-1.0	-50.60	397.15	2.50	-48.10
CN1N=CC2=C(N3CCN(C(=O)CN4CCC(C5=NN=N[N-]5)C4)CC3)N=CN=C21	REAL300020223837	1	51	-1.0	-50.62	397.21	2.52	-48.10
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(C1=NC=CS1)C1=CC=CC=C1	REAL300020223838	0	44	-1.0	-46.25	375.80	2.66	-43.59
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(C1=NC=CS1)C1=CC=CC=C1	REAL300020223838	1	44	-1.0	-46.26	375.87	2.66	-43.60
NC(=O)C(C1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223839	0	35	-1.0	-50.44	308.37	0.88	-49.56
NC(=O)C(C1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223839	1	35	-1.0	-50.43	308.43	0.89	-49.54
CC(C(=O)NCC1=CC=C(CN2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223840	0	57	-1.0	-46.65	439.30	1.52	-45.13
CC(C(=O)NCC1=CC=C(CN2CCOCC2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223840	1	58	0.0	-43.99	441.98	3.59	-40.40
CC(C(=O)NCC1=CC=C(CN2CCOCC2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223840	1	58	0.0	-44.18	443.05	3.76	-40.42
COC1=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=CC=C1O	REAL300020223841	0	43	0.0	-47.42	364.16	3.52	-43.90
COC1=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=CC=C1O	REAL300020223841	1	43	0.0	-49.96	362.44	3.87	-46.09
COC1=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)=CC=C1O	REAL300020223841	1	42	-1.0	-41.04	361.40	0.97	-40.07
COC1=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)=CC=C1O	REAL300020223841	1	42	-1.0	-41.03	361.47	0.99	-40.04
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=NC2=CC=CC=C2S1	REAL300020223842	0	37	-1.0	-49.45	319.87	2.45	-47.00
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=NC2=CC=CC=C2S1	REAL300020223842	1	37	-1.0	-49.46	319.94	2.47	-46.99
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=NC2=CC=C(F)C=C2S1	REAL300020223843	0	37	-1.0	-43.50	329.98	2.82	-40.68
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=NC2=CC=C(F)C=C2S1	REAL300020223843	1	37	-1.0	-43.52	330.05	2.84	-40.68
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(CC2=CSC=C2)CC1	REAL300020223844	0	47	-1.0	-44.04	375.68	2.12	-41.92
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CSC=C2)CC1	REAL300020223844	1	48	0.0	-47.23	378.53	4.52	-42.71
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CSC=C2)CC1	REAL300020223844	1	48	0.0	-46.16	378.65	4.56	-41.60
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CSC=C2)CC1	REAL300020223844	1	47	-1.0	-44.05	375.75	2.13	-41.92
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(CC2=CC=CO2)CC1	REAL300020223845	0	47	-1.0	-44.78	366.73	1.32	-43.46
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CO2)CC1	REAL300020223845	1	48	0.0	-48.22	369.54	3.67	-44.55
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CO2)CC1	REAL300020223845	1	48	0.0	-47.96	369.70	3.71	-44.25
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(CC2=CC=CO2)CC1	REAL300020223845	1	47	-1.0	-44.76	366.80	1.32	-43.44
CC(CC#N)SC1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223846	0	46	-1.0	-53.41	383.70	4.57	-48.84
CC(CC#N)SC1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223846	1	46	-1.0	-53.42	383.78	4.57	-48.85
CC(C#N)CSC1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223847	0	46	-1.0	-49.42	386.94	4.64	-44.78
CC(C#N)CSC1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223847	1	46	-1.0	-49.37	387.01	4.65	-44.72
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=CC([N+](=O)[O-])=C1	REAL300020223848	0	41	-1.0	-40.57	337.58	4.21	-36.36
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC([N+](=O)[O-])=C1	REAL300020223848	1	41	-1.0	-40.59	337.65	4.22	-36.37
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCC(=O)C1=CC=CS1	REAL300020223849	0	37	-1.0	-45.86	324.24	0.74	-45.12
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCC(=O)C1=CC=CS1	REAL300020223849	1	37	-1.0	-45.85	324.31	0.75	-45.10
CC(C)CC(=O)NNC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223850	0	44	-1.0	-50.13	347.25	0.12	-50.01
CC(C)CC(=O)NNC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223850	1	44	-1.0	-50.18	347.31	0.13	-50.05
CC(C)CC(=O)NNC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223850	1	45	0.0	-45.99	349.58	2.46	-43.53
CC(C)CC(=O)NNC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223850	1	45	0.0	-48.22	349.25	2.47	-45.75
COC1=C2N=C(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)SC2=CC=C1	REAL300020223851	0	41	-1.0	-44.85	350.92	1.60	-43.25
COC1=C2N=C(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)SC2=CC=C1	REAL300020223851	1	41	-1.0	-44.82	350.99	1.61	-43.21
COC(=O)C(C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223852	0	37	-1.0	-38.65	312.54	3.83	-34.82
COC(=O)C(C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223852	1	37	-1.0	-38.65	312.61	3.84	-34.81
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC1=CC=CC(C#N)=C1	REAL300020223853	0	51	0.0	-54.56	419.29	9.10	-45.46
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC1=CC=CC(C#N)=C1	REAL300020223853	1	51	0.0	-55.14	418.55	9.17	-45.97
O=C1C2=CC=CC=C2N=CN1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223854	0	40	0.0	-53.68	325.26	6.54	-47.14
O=C1C2=CC=CC=C2N=CN1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223854	1	40	0.0	-60.31	325.29	6.58	-53.73
O=C1C2=CC=CC=C2N=CN1CCN1CCC(C2=NN=N[N-]2)C1	REAL300020223854	1	39	-1.0	-49.00	322.68	4.24	-44.76
O=C1OC2=CC=C([N+](=O)[O-])C=C2N1CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223855	0	43	0.0	-56.02	363.32	7.35	-48.67
O=C1OC2=CC=C([N+](=O)[O-])C=C2N1CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223855	1	43	0.0	-56.96	362.16	7.38	-49.58
O=C1OC2=CC=C([N+](=O)[O-])C=C2N1CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223855	1	43	0.0	-56.04	363.25	7.34	-48.70
O=C1OC2=CC=C([N+](=O)[O-])C=C2N1CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223855	1	43	0.0	-56.95	362.08	7.37	-49.58
CC1=CC=C(C2=NN=C(C(C)N3CCC(C4=N[N-]N=N4)C3)O2)C=C1C	REAL300020223856	0	45	-1.0	-45.54	365.58	0.92	-44.62
CC1=CC=C(C2=NN=C(C(C)N3CCC(C4=NN=N[N-]4)C3)O2)C=C1C	REAL300020223856	1	45	-1.0	-45.54	365.65	0.94	-44.60
CCOC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NC2=NC(C(F)(F)F)=NN21	REAL300020223857	0	43	0.0	-61.21	365.80	7.15	-54.06
CCOC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NC2=NC(C(F)(F)F)=NN21	REAL300020223857	1	43	0.0	-61.29	365.77	7.16	-54.13
CCOC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=NC2=NC(C(F)(F)F)=NN21	REAL300020223857	1	42	-1.0	-51.34	362.35	4.54	-46.80
CCOC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=NC2=NC(C(F)(F)F)=NN21	REAL300020223857	1	42	-1.0	-51.33	362.41	4.56	-46.77
O=P(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223858	0	48	0.0	-56.63	396.75	8.65	-47.98
O=P(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223858	1	48	0.0	-56.45	396.78	8.59	-47.86
O=P(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223858	1	48	0.0	-56.57	396.68	8.64	-47.93
O=P(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020223858	1	48	0.0	-56.42	396.71	8.59	-47.83
CC(C(=O)NC1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223859	0	40	-1.0	-57.95	339.60	3.27	-54.68
CC(C(=O)NC1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223859	1	40	-1.0	-57.96	339.67	3.29	-54.67
CC(C(=O)[N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223859	1	39	-2.0	-105.01	337.29	2.12	-102.89
CN1C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)N2C2=C(SC=C2)C1=O	REAL300020223860	0	39	-1.0	-41.98	334.04	5.45	-36.53
CN1C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)N2C2=C(SC=C2)C1=O	REAL300020223860	1	39	-1.0	-42.03	334.11	5.47	-36.56
CC1=CC=C2C(=C1)C(=O)N(C)C1=NN=C(CN3CCC(C4=N[N-]N=N4)C3)N12	REAL300020223861	0	45	-1.0	-42.05	362.86	6.77	-35.28
CC1=CC=C2C(=C1)C(=O)N(C)C1=NN=C(CN3CCC(C4=NN=N[N-]4)C3)N12	REAL300020223861	1	45	-1.0	-42.03	362.92	6.78	-35.25
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1	REAL300020223862	0	39	0.0	-54.04	330.22	5.12	-48.92
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1	REAL300020223862	1	39	0.0	-59.24	330.97	5.25	-53.99
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1	REAL300020223862	1	39	0.0	-54.01	330.15	5.11	-48.90
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1	REAL300020223862	1	39	0.0	-59.18	330.90	5.24	-53.94
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1	REAL300020223863	0	39	0.0	-54.09	334.78	5.22	-48.87
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=C1	REAL300020223863	1	39	0.0	-59.23	335.54	5.35	-53.88
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1	REAL300020223863	1	39	0.0	-53.97	334.71	5.22	-48.75
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=C1	REAL300020223863	1	39	0.0	-59.21	335.46	5.35	-53.86
CCOC(=O)C1=C2NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N2N=C1	REAL300020223864	0	44	0.0	-66.98	366.84	5.01	-61.97
CCOC(=O)C1=C2NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N2N=C1	REAL300020223864	1	44	0.0	-64.17	365.93	5.01	-59.16
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2NC(C(F)(F)F)=NC2=C1	REAL300020223865	0	41	-1.0	-45.92	353.46	1.20	-44.72
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2NC(C(F)(F)F)=NC2=C1	REAL300020223865	1	41	-1.0	-45.92	353.53	1.21	-44.71
O=[N+]([O-])C1=CC=C(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223866	0	38	-1.0	-40.58	335.60	2.60	-37.98
O=[N+]([O-])C1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223866	1	38	-1.0	-40.61	335.67	2.61	-38.00
CCC1=C(C)SC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223867	0	40	-1.0	-40.24	336.28	1.93	-38.31
CCC1=C(C)SC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223867	1	40	-1.0	-40.27	336.35	1.95	-38.32
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1Br	REAL300020223868	0	39	0.0	-56.38	332.15	5.45	-50.93
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1Br	REAL300020223868	1	39	0.0	-55.22	333.37	5.49	-49.73
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1Br	REAL300020223868	1	39	0.0	-56.30	332.08	5.43	-50.87
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1Br	REAL300020223868	1	39	0.0	-55.21	333.30	5.49	-49.72
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(F)C=C1	REAL300020223869	0	39	0.0	-54.85	319.90	4.66	-50.19
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(F)C=C1	REAL300020223869	1	39	0.0	-60.05	320.66	4.80	-55.25
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(F)C=C1	REAL300020223869	1	39	0.0	-54.88	319.84	4.66	-50.22
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(F)C=C1	REAL300020223869	1	39	0.0	-60.01	320.59	4.79	-55.22
CC1=CC=C(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223870	0	42	0.0	-51.07	336.68	8.08	-42.99
CC1=CC=C(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223870	1	42	0.0	-47.72	337.88	8.06	-39.66
CC1=CC=C(SCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020223870	1	42	0.0	-51.02	336.61	8.06	-42.96
CC1=CC=C(SCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020223870	1	42	0.0	-47.68	337.82	8.05	-39.63
CN1C=CN=C1COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223871	0	46	0.0	-54.03	369.04	7.30	-46.73
CN1C=CN=C1COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223871	1	46	0.0	-55.35	369.52	7.23	-48.12
CN1C2=CC=C(Cl)C=C2N=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020223872	0	37	-1.0	-42.85	309.59	3.67	-39.18
CN1C2=CC=C(Cl)C=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223872	1	38	0.0	-47.81	317.35	6.10	-41.71
CN1C2=CC=C(Cl)C=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223872	1	38	0.0	-54.76	316.75	6.07	-48.69
CN1C2=CC=C(Cl)C=C2N=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020223872	1	37	-1.0	-42.86	309.67	3.68	-39.18
CC(C1=CC=CC(NC(=O)C2=CC=CC=C2)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223873	0	49	0.0	-44.53	385.94	8.21	-36.32
CC(C1=CC=CC(NC(=O)C2=CC=CC=C2)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223873	1	49	0.0	-45.39	384.73	8.22	-37.17
CCSC(C)C1=NOC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223874	0	39	-1.0	-41.55	332.29	1.29	-40.26
CCSC(C)C1=NOC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223874	1	39	-1.0	-41.56	332.37	1.30	-40.26
CC1=NN(C2=NC(C)=CC(C)=N2)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223875	0	49	-1.0	-47.01	401.27	5.97	-41.04
CC1=NN(C2=NC(C)=CC(C)=N2)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223875	1	49	-1.0	-47.00	401.34	5.98	-41.02
COC(=O)C1=CC(Cl)=CC(Cl)=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223876	0	41	-1.0	-42.55	367.37	3.58	-38.97
COC(=O)C1=CC(Cl)=CC(Cl)=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223876	1	41	-1.0	-42.56	367.44	3.59	-38.97
O=C(NC1=CC=C(F)C=C1)C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223877	0	40	-1.0	-44.64	350.55	0.92	-43.72
O=C(NC1=CC=C(F)C=C1)C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223877	1	40	-1.0	-44.65	350.48	0.90	-43.75
CC(C(=O)NC(=O)NCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020223878	0	38	-1.0	-60.98	326.57	-0.05	-61.03
CC(C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223878	1	39	0.0	-51.70	328.92	2.28	-49.42
CC(C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223878	1	39	0.0	-56.73	328.57	2.28	-54.45
CC(C(=O)NC(=O)NCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020223878	1	38	-1.0	-60.99	326.64	-0.03	-61.02
CC1=CC(C)=NN1C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223879	0	45	0.0	-53.99	356.38	7.81	-46.18
CC1=CC(C)=NN1C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223879	1	45	0.0	-55.95	356.86	7.74	-48.21
CC1=NC(C#N)=C(N2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)O1	REAL300020223880	0	48	0.0	-56.07	383.93	0.66	-55.41
CC1=NC(C#N)=C(N2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)O1	REAL300020223880	1	48	0.0	-53.74	384.10	0.66	-53.08
CC1=NC(C#N)=C(N2CCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)O1	REAL300020223880	1	47	-1.0	-49.06	381.17	-1.70	-50.76
CC1=NC(C#N)=C(N2CCN(C(=O)CN3CCC(C4=NN=N[N-]4)C3)CC2)O1	REAL300020223880	1	47	-1.0	-49.08	381.25	-1.70	-50.78
N#CC1=C2NC3=CC=CC=C3N2C(=O)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223881	0	43	0.0	-55.68	358.60	7.32	-48.36
N#CC1=C2NC3=CC=CC=C3N2C(=O)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223881	1	43	0.0	-55.80	357.06	7.32	-48.48
CC1=CC=C(S(=O)(=O)C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020223882	0	48	0.0	-55.99	397.07	7.05	-48.94
CC1=CC=C(S(=O)(=O)C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020223882	1	48	0.0	-55.96	396.97	7.05	-48.91
CC1=CC=C(S(=O)(=O)C2=CC=C(CN3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020223882	1	47	-1.0	-45.04	394.20	4.63	-40.41
CCC1=C(C)C=C(C(=O)NNC(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223883	0	45	-1.0	-46.67	380.37	1.61	-45.06
CCC1=C(C)C=C(C(=O)NNC(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223883	1	45	-1.0	-46.66	380.44	1.62	-45.04
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Br)=C1	REAL300020223884	0	39	0.0	-55.54	334.84	5.28	-50.26
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(Br)=C1	REAL300020223884	1	39	0.0	-57.01	335.11	5.24	-51.77
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Br)=C1	REAL300020223884	1	39	0.0	-55.46	334.76	5.27	-50.19
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(Br)=C1	REAL300020223884	1	39	0.0	-57.02	335.05	5.23	-51.79
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)SC(C)=C1	REAL300020223885	0	44	-1.0	-40.01	374.96	3.37	-36.64
CCOC(=O)C1=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)SC(C)=C1	REAL300020223885	1	44	-1.0	-40.00	375.03	3.38	-36.62
CC(C)OC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020223886	0	48	0.0	-40.18	364.13	8.82	-31.36
CC(C)OC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020223886	1	48	0.0	-39.49	366.13	8.73	-30.76
CC(C)OC1=C(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020223886	1	48	0.0	-40.12	364.06	8.82	-31.30
CC(C)OC1=C(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020223886	1	48	0.0	-39.47	366.07	8.72	-30.75
COC1=CC=C(C2CCCCCN2C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223887	0	55	-1.0	-45.49	407.87	5.56	-39.93
COC1=CC=C(C2CCCCCN2C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223887	1	56	0.0	-50.69	410.13	7.86	-42.83
COC1=CC=C(C2CCCCCN2C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223887	1	56	0.0	-52.62	410.05	7.88	-44.74
COC1=CC=C(C2CCCCCN2C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223887	1	55	-1.0	-45.49	407.95	5.58	-39.91
CCOC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223888	0	53	0.0	-47.79	410.31	7.86	-39.93
CCOC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223888	1	53	0.0	-51.38	409.69	7.82	-43.56
CCOC1=CC=C(C2CCCN2C(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223888	1	52	-1.0	-46.86	407.53	5.51	-41.35
CCOC1=CC=C(C2CCCN2C(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223888	1	52	-1.0	-46.89	407.61	5.52	-41.37
CC(C)C(CNC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223889	0	50	-1.0	-44.36	387.15	3.93	-40.43
CC(C)C(CNC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223889	1	50	-1.0	-44.36	387.21	3.95	-40.41
CC(C1=CC2=CC=CC=C2O1)N(C)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223890	0	47	-1.0	-46.63	373.31	4.81	-41.82
CC(C1=CC2=CC=CC=C2O1)N(C)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223890	1	47	-1.0	-46.67	373.38	4.81	-41.86
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC(C(=O)NC2CC2)=C1	REAL300020223891	0	46	-1.0	-52.38	377.99	1.73	-50.65
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC(C(=O)NC2CC2)=C1	REAL300020223891	1	46	-1.0	-52.36	378.07	1.75	-50.61
CSC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223892	0	39	-1.0	-47.32	328.05	2.59	-44.73
CSC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223892	1	39	-1.0	-47.32	328.12	2.59	-44.73
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300020223893	0	46	-1.0	-48.61	394.90	5.14	-43.47
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300020223893	1	46	-1.0	-48.61	394.97	5.15	-43.46
CN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020223894	0	40	-1.0	-47.60	336.34	3.78	-43.82
CN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300020223894	1	40	-1.0	-47.61	336.41	3.79	-43.82
COC1=CC=C(C(=O)NNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020223895	0	47	-1.0	-48.68	385.19	-0.33	-49.01
COC1=CC=C(C(=O)NNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223895	1	47	-1.0	-48.70	385.26	-0.32	-49.02
COC1=CC=C(Cl)C=C1C(=O)NNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223896	0	43	-1.0	-49.41	370.62	1.50	-47.91
COC1=CC=C(Cl)C=C1C(=O)NNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223896	1	43	-1.0	-49.40	370.69	1.52	-47.88
O=C(CN1CCC(C2=N[N-]N=N2)C1)NNC(=O)C1=CC=CC(Cl)=C1	REAL300020223897	0	39	-1.0	-46.34	343.31	0.94	-45.40
O=C(CN1CCC(C2=NN=N[N-]2)C1)NNC(=O)C1=CC=CC(Cl)=C1	REAL300020223897	1	39	-1.0	-46.29	343.38	0.96	-45.33
COCCN1C(=O)NC(=O)C(C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020223898	0	45	-1.0	-48.21	356.31	-1.43	-49.64
COCCN1C(=O)NC(=O)C(C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223898	1	45	-1.0	-48.18	356.37	-1.41	-49.59
COCCN1C(=O)NC(=O)C(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223898	1	46	0.0	-50.05	363.56	1.67	-48.38
COCCN1C(=O)NC(=O)C(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223898	1	46	0.0	-47.82	362.10	1.56	-46.26
CC(C)CN1C(=O)NC(=O)C(C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020223899	0	47	-1.0	-47.37	359.40	0.43	-46.94
CC(C)CN1C(=O)NC(=O)C(C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223899	1	47	-1.0	-47.37	359.47	0.45	-46.92
CC(C)CN1C(=O)NC(=O)C(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223899	1	48	0.0	-47.21	367.07	3.17	-44.04
CC(C)CN1C(=O)NC(=O)C(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020223899	1	48	0.0	-45.00	366.61	2.92	-42.08
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Br)C=N1	REAL300020223900	0	34	-1.0	-49.18	303.57	1.69	-47.49
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Br)C=N1	REAL300020223900	1	34	-1.0	-49.19	303.63	1.70	-47.49
CC1=NN(C2=CC=C(F)C=C2)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223901	0	45	-1.0	-41.54	373.54	4.69	-36.85
CC1=NN(C2=CC=C(F)C=C2)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223901	1	45	-1.0	-41.55	373.61	4.71	-36.84
NC(=O)C1=CC=CC=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223902	0	39	-1.0	-50.58	317.15	-1.18	-51.76
NC(=O)C1=CC=CC=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223902	1	39	-1.0	-50.60	317.22	-1.18	-51.78
O=C(NC1=CC=CC=C1)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223903	0	46	0.0	-57.07	367.98	7.53	-49.54
O=C(NC1=CC=CC=C1)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223903	1	46	0.0	-58.45	369.46	7.55	-50.90
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=NC(C2=CNC3=CC=CC=C23)=CS1	REAL300020223904	0	45	-1.0	-49.52	381.45	3.32	-46.20
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=NC(C2=CNC3=CC=CC=C23)=CS1	REAL300020223904	1	45	-1.0	-49.51	381.51	3.33	-46.18
O=C(CN1CCC(C2=N[N-]N=N2)C1)[N-]C1=NC(C2=CNC3=CC=CC=C23)=CS1	REAL300020223904	1	44	-2.0	-103.01	379.78	2.39	-100.62
CN1N=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020223905	0	34	-1.0	-39.86	276.75	0.73	-39.13
CN1N=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020223905	1	35	0.0	-44.39	293.09	4.17	-40.22
CN1N=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020223905	1	35	0.0	-48.33	291.01	4.20	-44.13
CN1N=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020223905	1	34	-1.0	-39.89	276.82	0.75	-39.14
CC(C(=O)N1CC(=O)NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020223906	0	43	-1.0	-51.64	336.86	1.34	-50.30
CC(C(=O)N1CC(=O)NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020223906	1	43	-1.0	-51.60	336.93	1.35	-50.25
CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223906	1	44	0.0	-57.07	343.69	3.71	-53.36
CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223906	1	44	0.0	-51.71	343.46	3.76	-47.95
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(=O)NC1=CC=CC=C1	REAL300020223907	0	39	-1.0	-55.72	321.79	1.36	-54.36
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(=O)NC1=CC=CC=C1	REAL300020223907	1	39	-1.0	-55.73	321.85	1.38	-54.35
O=C1N=C(CN2CCC(C3=N[N-]N=N3)C2)NC2=CC=C(Cl)C=C12	REAL300020223908	0	36	-1.0	-50.68	316.05	2.22	-48.46
O=C1N=C(CN2CCC(C3=NN=N[N-]3)C2)NC2=CC=C(Cl)C=C12	REAL300020223908	1	36	-1.0	-50.64	316.11	2.24	-48.40
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OC3(CCCCC3)OC2=C1	REAL300020223909	0	51	-1.0	-51.06	394.47	3.60	-47.46
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OC3(CCCCC3)OC2=C1	REAL300020223909	1	51	-1.0	-51.05	394.53	3.62	-47.43
COC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020223910	0	44	-1.0	-41.43	359.44	2.51	-38.92
COC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020223910	1	44	-1.0	-41.41	359.51	2.52	-38.89
CCOC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223911	0	45	-1.0	-47.83	355.40	2.52	-45.31
CCOC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223911	1	46	0.0	-56.99	359.65	4.72	-52.27
CCOC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223911	1	46	0.0	-48.51	357.68	4.77	-43.74
CCOC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223911	1	45	-1.0	-47.86	355.47	2.54	-45.32
COC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223912	0	42	-1.0	-49.71	333.72	1.59	-48.12
COC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223912	1	43	0.0	-57.35	337.05	3.78	-53.57
COC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223912	1	43	0.0	-48.67	335.82	3.83	-44.84
COC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223912	1	42	-1.0	-49.71	333.79	1.60	-48.11
CC(C(=O)NC1=CC=CC(S(N)(=O)=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223913	0	43	-1.0	-57.99	359.51	-2.89	-60.88
CC(C(=O)NC1=CC=CC(S(N)(=O)=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223913	1	43	-1.0	-58.05	359.57	-2.88	-60.93
COC1=CC=C(C)C=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223914	0	45	-1.0	-50.83	355.84	2.33	-48.50
COC1=CC=C(C)C=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223914	1	45	-1.0	-50.83	355.91	2.35	-48.48
CC(C(=O)NC1=CC=CN=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020223915	0	37	-1.0	-49.23	314.22	0.99	-48.24
CC(C(=O)NC1=CC=CN=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020223915	1	37	-1.0	-49.21	314.15	0.98	-48.23
COC1=CC=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020223916	0	46	-1.0	-48.39	364.08	1.34	-47.05
COC1=CC=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223916	1	46	-1.0	-48.44	364.14	1.36	-47.08
COC1=CC=C(NC(=O)C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223916	1	47	0.0	-48.87	366.73	3.74	-45.13
COC1=CC=C(NC(=O)C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020223916	1	47	0.0	-51.31	365.75	3.74	-47.57
CC(C(=O)NCCC1=CC=C(S(N)(=O)=O)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223917	0	50	0.0	-58.14	409.44	0.42	-57.72
CC(C(=O)NCCC1=CC=C(S(N)(=O)=O)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223917	1	50	0.0	-53.91	409.69	0.44	-53.47
CC(C(=O)NCCC1=CC=C(S(N)(=O)=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223917	1	49	-1.0	-49.49	407.43	-1.92	-51.41
CC(C(=O)NCCC1=CC=C(S(N)(=O)=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223917	1	49	-1.0	-49.49	407.50	-1.91	-51.40
CC(C(=O)NC1=CC=CC=C1SC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223918	0	49	-1.0	-49.30	402.89	6.38	-42.92
CC(C(=O)NC1=CC=CC=C1SC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223918	1	49	-1.0	-49.28	402.97	6.40	-42.88
CC(C(=O)NC1=CC=C2NC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223919	0	42	-1.0	-45.92	342.01	-0.97	-46.89
CC(C(=O)NC1=CC=C2NC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223919	1	42	-1.0	-45.90	342.09	-0.96	-46.86
CC(C(=O)NC1=CC=C2NC(=O)NC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223919	1	43	0.0	-52.99	343.55	1.37	-51.62
CC(C(=O)NC1=CC=C2NC(=O)NC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223919	1	43	0.0	-57.37	343.29	1.39	-55.98
COC1=CC(Cl)=C(C)C=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223920	0	45	-1.0	-44.37	368.52	2.68	-41.69
COC1=CC(Cl)=C(C)C=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223920	1	45	-1.0	-44.34	368.59	2.70	-41.64
CC(C(=O)NC1=C(C#N)C2=C(CCCCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223921	0	49	-1.0	-45.18	391.70	4.82	-40.36
CC(C(=O)NC1=C(C#N)C2=C(CCCCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223921	1	49	-1.0	-45.13	391.77	4.83	-40.30
CC(=O)C1=CC=CC=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223922	0	43	-1.0	-51.98	343.75	3.20	-48.78
CC(=O)C1=CC=CC=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223922	1	43	-1.0	-52.02	343.82	3.22	-48.80
CC(=O)C1=CC=CC=C1NC(=O)C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223922	1	44	0.0	-48.38	344.36	5.42	-42.96
CC(=O)C1=CC=CC=C1NC(=O)C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223922	1	44	0.0	-43.69	341.89	5.42	-38.27
CC(C(=O)NC1=C(C(N)=O)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223923	0	39	-1.0	-49.55	327.17	-1.61	-51.16
CC(C(=O)NC1=C(C(N)=O)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223923	1	39	-1.0	-49.62	327.24	-1.59	-51.21
CC(C(=O)NC1=CC=C(C#N)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223924	0	39	-1.0	-50.45	341.55	2.96	-47.49
CC(C(=O)NC1=CC=C(C#N)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223924	1	39	-1.0	-50.45	341.61	2.98	-47.47
CC(C(=O)NC(=O)NCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223925	0	45	-1.0	-53.81	366.44	2.40	-51.41
CC(C(=O)NC(=O)NCC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223925	1	46	0.0	-51.22	369.48	4.81	-46.41
CC(C(=O)NC(=O)NCC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223925	1	46	0.0	-56.25	369.15	4.82	-51.43
CC(C(=O)NC(=O)NCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223925	1	45	-1.0	-53.82	366.51	2.41	-51.41
CC(C(=O)NC(=O)NC(C)(C)C)N1CCC(C2=N[N-]N=N2)C1	REAL300020223926	0	44	-1.0	-64.21	341.07	0.53	-63.68
CC(C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223926	1	45	0.0	-50.75	343.42	2.86	-47.89
CC(C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223926	1	45	0.0	-66.67	343.25	2.84	-63.83
CC(C(=O)NC(=O)NC(C)(C)C)N1CCC(C2=NN=N[N-]2)C1	REAL300020223926	1	44	-1.0	-64.21	341.14	0.55	-63.66
CC(C(=O)NC(=O)NC1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223927	0	48	-1.0	-57.25	385.17	1.29	-55.96
CC(C(=O)NC(=O)NC1=CC=C2OCCOC2=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223927	1	49	0.0	-65.05	387.93	3.74	-61.31
CC(C(=O)NC(=O)NC1=CC=C2OCCOC2=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223927	1	49	0.0	-71.46	388.07	3.70	-67.76
CC(C(=O)NC(=O)NC1=CC=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223927	1	48	-1.0	-57.24	385.24	1.30	-55.94
CC1=CC=CC(NC(=O)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020223928	0	45	-1.0	-58.46	359.00	3.07	-55.39
CC1=CC=CC(NC(=O)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020223928	1	45	-1.0	-58.45	359.07	3.08	-55.37
CC1=CC=C(NC(=O)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020223929	0	45	-1.0	-58.48	361.89	2.84	-55.64
CC1=CC=C(NC(=O)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020223929	1	45	-1.0	-58.48	361.97	2.86	-55.62
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC(=O)NC1=CC=C2OCOC2=C1	REAL300020223930	0	42	-1.0	-53.76	351.58	0.46	-53.30
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC(=O)NC1=CC=C2OCOC2=C1	REAL300020223930	1	42	-1.0	-53.73	351.65	0.47	-53.26
COC(=O)C(C1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020223931	0	37	-1.0	-39.23	316.36	4.74	-34.49
COC(=O)C(C1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020223931	1	37	-1.0	-39.20	316.43	4.75	-34.45
CC(C(=O)N(C1=NC=CS1)C1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223932	0	50	-1.0	-43.24	380.09	5.57	-37.67
CC(C(=O)N(C1=NC=CS1)C1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223932	1	50	-1.0	-43.29	380.16	5.58	-37.71
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NN1C(=O)NC2(CCCCC2)C1=O	REAL300020223933	0	51	0.0	-57.85	399.22	2.77	-55.08
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NN1C(=O)NC2(CCCCC2)C1=O	REAL300020223933	1	51	0.0	-62.94	399.96	2.91	-60.03
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NN1C(=O)NC2(CCCCC2)C1=O	REAL300020223933	1	51	0.0	-57.80	399.15	2.77	-55.03
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NN1C(=O)NC2(CCCCC2)C1=O	REAL300020223933	1	51	0.0	-62.89	399.89	2.90	-59.99
N#CC1=CC=C(N2CCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)C=C1	REAL300020223934	0	40	-1.0	-42.96	330.10	3.94	-39.02
N#CC1=CC=C(N2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223934	1	41	0.0	-54.74	332.61	6.17	-48.57
N#CC1=CC=C(N2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223934	1	41	0.0	-54.58	331.60	6.27	-48.31
N#CC1=CC=C(N2CCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020223934	1	40	-1.0	-42.97	330.17	3.95	-39.02
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OCOC2=C1	REAL300020223935	0	42	0.0	-59.23	339.64	3.31	-55.92
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2OCOC2=C1	REAL300020223935	1	42	0.0	-56.61	339.55	3.27	-53.34
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OCOC2=C1	REAL300020223935	1	42	0.0	-59.15	339.56	3.30	-55.85
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2OCOC2=C1	REAL300020223935	1	42	0.0	-56.54	339.49	3.25	-53.29
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=C(Cl)C=CC=C1Cl	REAL300020223936	0	39	0.0	-55.43	350.52	6.01	-49.42
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=C(Cl)C=CC=C1Cl	REAL300020223936	1	39	0.0	-56.89	349.50	6.06	-50.83
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=C(Cl)C=CC=C1Cl	REAL300020223936	1	39	0.0	-55.43	350.45	6.00	-49.43
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=C(Cl)C=CC=C1Cl	REAL300020223936	1	39	0.0	-56.83	349.42	6.05	-50.78
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC(Cl)=CC=C1Cl	REAL300020223937	0	39	0.0	-51.78	345.22	5.76	-46.02
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC(Cl)=CC=C1Cl	REAL300020223937	1	39	0.0	-56.76	345.94	5.88	-50.88
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC(Cl)=CC=C1Cl	REAL300020223937	1	39	0.0	-51.73	345.15	5.76	-45.97
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC(Cl)=CC=C1Cl	REAL300020223937	1	39	0.0	-56.70	345.87	5.88	-50.82
CC1=CC=CC(OC2=CC=C(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020223938	0	49	-1.0	-48.32	397.89	5.10	-43.22
CC1=CC=CC(OC2=CC=C(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020223938	1	49	-1.0	-48.29	397.97	5.11	-43.18
CN(C)C(=O)C1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223939	0	45	-1.0	-54.60	357.96	1.44	-53.16
CN(C)C(=O)C1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223939	1	45	-1.0	-54.62	358.03	1.44	-53.18
CCN(CC)C(=O)C1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223940	0	51	-1.0	-54.08	399.38	3.28	-50.80
CCN(CC)C(=O)C1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223940	1	51	-1.0	-54.07	399.45	3.29	-50.78
COC1=CC=C(NC(=O)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223941	0	43	-1.0	-57.16	351.05	0.66	-56.50
COC1=CC=C(NC(=O)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223941	1	43	-1.0	-57.14	351.11	0.67	-56.47
COC1=CC=C(C)C=C1NC(=O)CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020223942	0	49	-1.0	-47.38	395.17	-0.01	-47.39
COC1=CC=C(C)C=C1NC(=O)CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020223942	1	49	-1.0	-47.41	395.23	-0.00	-47.41
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)NC1CC1	REAL300020223943	0	46	-1.0	-46.30	369.61	1.95	-44.35
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)NC1CC1	REAL300020223943	1	46	-1.0	-46.30	369.68	1.97	-44.33
CC(C1=NC(=O)C2=CC=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223944	0	39	-1.0	-51.29	315.36	2.28	-49.01
CC(C1=NC(=O)C2=CC=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223944	1	39	-1.0	-51.32	315.43	2.29	-49.03
CC(C1=NC(=O)C2=CC=CC=C2N1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223944	1	40	0.0	-58.27	316.07	4.75	-53.52
CC(C1=NC(=O)C2=CC=CC=C2N1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223944	1	40	0.0	-75.13	317.48	4.73	-70.40
CC1=CC(C)=C(NC(=O)CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020223945	0	51	-1.0	-46.60	402.99	2.16	-44.44
CC1=CC(C)=C(NC(=O)CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020223945	1	51	-1.0	-46.63	403.05	2.17	-44.46
CC1=C(O)C=CC2=C1OC(=O)C=C2C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223946	0	41	0.0	-59.91	330.84	4.83	-55.08
CC1=C(O)C=CC2=C1OC(=O)C=C2C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223946	1	41	0.0	-60.03	333.39	4.83	-55.20
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)NC1CCCC1	REAL300020223947	0	52	-1.0	-50.12	404.59	3.33	-46.79
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)NC1CCCC1	REAL300020223947	1	52	-1.0	-50.12	404.66	3.33	-46.79
CC1=CC=C(NC(=O)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020223948	0	45	-1.0	-58.40	363.40	3.18	-55.22
CC1=CC=C(NC(=O)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020223948	1	45	-1.0	-58.39	363.47	3.19	-55.20
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC(Cl)=CC=C1F	REAL300020223949	0	35	-1.0	-44.39	307.80	2.03	-42.36
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC(Cl)=CC=C1F	REAL300020223949	1	35	-1.0	-44.43	307.87	2.04	-42.39
O=C1N=C(CN2CCC(C3=N[N-]N=N3)C2)NC2=C1SC(C1=CC=C(F)C=C1)=C2	REAL300020223950	0	43	-1.0	-61.80	372.75	4.55	-57.25
O=C1N=C(CN2CCC(C3=NN=N[N-]3)C2)NC2=C1SC(C1=CC=C(F)C=C1)=C2	REAL300020223950	1	43	-1.0	-61.75	372.83	4.57	-57.18
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020223951	0	50	0.0	-55.66	391.79	5.92	-49.74
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020223951	1	50	0.0	-55.74	391.95	5.95	-49.79
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020223951	1	49	-1.0	-49.26	386.55	3.22	-46.04
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020223951	1	49	-1.0	-49.27	386.61	3.24	-46.03
COC(=O)C1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223952	0	41	-1.0	-52.33	340.77	2.13	-50.20
COC(=O)C1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223952	1	41	-1.0	-52.37	340.85	2.15	-50.22
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC(Cl)=CC=C1N1C=NC=N1	REAL300020223953	0	41	-1.0	-45.51	354.75	5.47	-40.04
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC(Cl)=CC=C1N1C=NC=N1	REAL300020223953	1	41	-1.0	-45.59	354.83	5.48	-40.11
CC1=CC=C(NC2=NC(N)=NC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223954	0	45	-1.0	-40.43	369.18	6.60	-33.83
CC1=CC=C(NC2=NC(N)=NC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020223954	1	45	-1.0	-40.42	369.26	6.61	-33.81
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223955	0	45	0.0	-54.32	357.08	7.03	-47.29
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223955	1	45	0.0	-59.57	356.84	7.13	-52.44
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223955	1	45	0.0	-54.26	357.01	7.02	-47.24
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC2=CC=CC=C21	REAL300020223955	1	45	0.0	-59.57	356.76	7.12	-52.45
NS(=O)(=O)C1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223956	0	44	0.0	-62.94	367.77	-0.39	-63.33
NS(=O)(=O)C1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223956	1	44	0.0	-64.26	368.06	-0.43	-64.69
NS(=O)(=O)C1=CC=CC(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223956	1	44	0.0	-62.91	367.70	-0.40	-63.31
NS(=O)(=O)C1=CC=CC(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223956	1	44	0.0	-64.27	367.99	-0.44	-64.71
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223957	0	52	0.0	-54.39	397.52	3.42	-50.97
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223957	1	52	0.0	-59.72	398.57	3.54	-56.18
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223957	1	52	0.0	-54.34	397.46	3.42	-50.92
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCOCC2)C=C1	REAL300020223957	1	52	0.0	-59.68	398.49	3.54	-56.14
NC(=O)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223958	0	43	0.0	-59.90	348.21	1.38	-58.52
NC(=O)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223958	1	43	0.0	-64.12	348.94	1.51	-62.61
NC(=O)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223958	1	43	0.0	-59.88	348.14	1.38	-58.50
NC(=O)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223958	1	43	0.0	-64.13	348.87	1.51	-62.62
COC1=CC=CC=C1N1CCC(N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020223959	0	43	-1.0	-44.16	346.71	3.10	-41.06
COC1=CC=CC=C1N1CCC(N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020223959	1	43	-1.0	-44.16	346.78	3.11	-41.05
COC1=CC=CC=C1N1CCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020223959	1	44	0.0	-46.95	348.95	5.47	-41.48
COC1=CC=CC=C1N1CCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020223959	1	44	0.0	-57.95	348.61	5.59	-52.36
CC(C1=NC=C(C2=CC=C(Cl)C=C2Cl)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223960	0	40	-1.0	-45.11	361.93	3.17	-41.94
CC(C1=NC=C(C2=CC=C(Cl)C=C2Cl)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223960	1	40	-1.0	-45.10	362.00	3.17	-41.93
CC1=C(Br)C=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223961	0	35	0.0	-47.92	292.27	6.71	-41.21
CC1=C(Br)C=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223961	1	35	0.0	-45.22	289.84	6.74	-38.48
O=C(CN1CCC(C2=N[N-]N=N2)C1)[N-]OCC1=CC=CC=C1	REAL300020223962	0	38	-2.0	-96.63	322.38	1.98	-94.65
O=C(CN1CCC(C2=NN=N[N-]2)C1)[N-]OCC1=CC=CC=C1	REAL300020223962	1	38	-2.0	-96.59	322.44	1.99	-94.60
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)[N-]OCC1=CC=CC=C1	REAL300020223962	1	39	-1.0	-55.91	327.29	4.65	-51.26
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)[N-]OCC1=CC=CC=C1	REAL300020223962	1	39	-1.0	-55.25	327.91	4.67	-50.58
COC(=O)C(C1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223963	0	37	-1.0	-38.53	317.10	3.93	-34.60
COC(=O)C(C1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223963	1	37	-1.0	-38.55	317.18	3.95	-34.60
O=C(NC1=CC=CC=C1)C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223964	0	40	-1.0	-41.37	352.07	1.38	-39.99
O=C(NC1=CC=CC=C1)C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223964	1	40	-1.0	-41.37	352.00	1.38	-39.99
ClC1=CC2=NC=CC(SCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020223965	0	41	0.0	-58.80	353.10	7.65	-51.15
ClC1=CC2=NC=CC(SCC[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020223965	1	41	0.0	-57.69	354.05	7.61	-50.08
ClC1=CC2=NC=CC(SCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020223965	1	41	0.0	-58.77	353.03	7.63	-51.14
ClC1=CC2=NC=CC(SCC[N@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020223965	1	41	0.0	-57.70	353.98	7.59	-50.11
COC(=O)C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C(=O)OC)=C1	REAL300020223966	0	44	0.0	-54.27	365.66	6.81	-47.46
COC(=O)C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C(=O)OC)=C1	REAL300020223966	1	44	0.0	-53.92	367.45	6.85	-47.07
COC(=O)C1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC(C(=O)OC)=C1	REAL300020223966	1	43	-1.0	-44.79	362.14	4.16	-40.63
CC1=C(C2=NN=C([N-]C(=O)CN3CCC(C4=N[N-]N=N4)C3)O2)SC=C1	REAL300020223967	0	39	-2.0	-93.95	347.42	-2.83	-96.78
CC1=C(C2=NN=C([N-]C(=O)CN3CCC(C4=NN=N[N-]4)C3)O2)SC=C1	REAL300020223967	1	39	-2.0	-93.97	347.49	-2.81	-96.78
CC1=C(C2=NN=C(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)O2)SC=C1	REAL300020223967	1	40	-1.0	-52.38	347.02	-1.48	-53.86
CC1=C(C2=NN=C(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)O2)SC=C1	REAL300020223967	1	40	-1.0	-52.36	347.08	-1.46	-53.82
O=C(CN1CCC(C2=N[N-]N=N2)C1)[N-]C1=NN=C(C2=CC=CO2)O1	REAL300020223968	0	36	-2.0	-93.59	317.38	-5.28	-98.87
O=C(CN1CCC(C2=NN=N[N-]2)C1)[N-]C1=NN=C(C2=CC=CO2)O1	REAL300020223968	1	36	-2.0	-93.63	317.46	-5.27	-98.90
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=NN=C(C2=CC=CO2)O1	REAL300020223968	1	37	-1.0	-53.19	320.67	-3.63	-56.82
C1=NN(CC2=CC=CC=C2)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223969	0	42	0.0	-51.59	342.05	7.21	-44.38
C1=NN(CC2=CC=CC=C2)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223969	1	42	0.0	-50.60	340.83	7.21	-43.39
CC(C)(C)OC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223970	0	44	0.0	-45.78	339.24	5.80	-39.98
CC(C)(C)OC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223970	1	44	0.0	-46.78	334.05	5.80	-40.98
FC(F)(F)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223971	0	41	0.0	-52.62	354.67	5.05	-47.57
FC(F)(F)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223971	1	41	0.0	-49.40	354.26	5.16	-44.24
FC(F)(F)C1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)C=C1	REAL300020223971	1	40	-1.0	-39.16	352.11	2.48	-36.68
FC(F)(F)C1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223971	1	40	-1.0	-39.07	352.18	2.49	-36.58
BrC1=CC=C2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020223972	0	39	0.0	-46.17	308.36	7.55	-38.62
BrC1=CC=C2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020223972	1	39	0.0	-42.25	309.55	7.67	-34.58
NC(=O)C(C1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223973	0	35	-1.0	-48.49	300.23	0.05	-48.44
NC(=O)C(C1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223973	1	35	-1.0	-48.51	300.30	0.07	-48.44
CN(C)S(=O)(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223974	0	43	0.0	-55.34	352.84	3.62	-51.72
CN(C)S(=O)(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223974	1	43	0.0	-56.58	353.34	3.54	-53.04
FC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223975	0	36	0.0	-51.94	308.21	6.13	-45.81
FC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223975	1	36	0.0	-54.06	309.77	5.92	-48.14
FC1=CC=C(OCCN2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020223975	1	35	-1.0	-38.44	307.24	3.37	-35.07
FC1=CC=C(OCCN2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020223975	1	35	-1.0	-38.43	307.31	3.38	-35.05
BrC1=CC=CC=C1OCCN1CCC(C2=N[N-]N=N2)C1	REAL300020223976	0	35	-1.0	-39.69	305.22	3.42	-36.27
BrC1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223976	1	36	0.0	-48.90	306.19	6.18	-42.72
BrC1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223976	1	36	0.0	-51.51	307.75	5.96	-45.55
BrC1=CC=CC=C1OCCN1CCC(C2=NN=N[N-]2)C1	REAL300020223976	1	35	-1.0	-39.71	305.29	3.43	-36.28
CC1=C(Br)C=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223977	0	35	0.0	-47.92	292.27	6.71	-41.21
CC1=C(Br)C=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223977	1	35	0.0	-45.22	289.84	6.74	-38.48
CC(C)(C)OC(=O)NC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223978	0	49	0.0	-50.90	380.55	5.79	-45.11
CC(C)(C)OC(=O)NC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223978	1	49	0.0	-51.31	377.24	5.78	-45.53
FC(F)(F)OC1=CC=C(C#CCN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020223979	0	37	-1.0	-38.37	329.21	4.41	-33.96
FC(F)(F)OC1=CC=C(C#CCN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223979	1	37	-1.0	-38.33	329.28	4.42	-33.91
FC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC1=CC=CC=C1	REAL300020223980	0	43	0.0	-54.27	354.21	8.49	-45.78
FC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC1=CC=CC=C1	REAL300020223980	1	43	0.0	-54.24	354.71	8.54	-45.70
FC(F)(F)OC1=CC=CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223981	0	39	0.0	-53.66	326.70	6.28	-47.38
FC(F)(F)OC1=CC=CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223981	1	39	0.0	-54.28	325.47	6.23	-48.05
FC(F)(F)OC1=CC=CC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223981	1	39	0.0	-53.65	326.62	6.28	-47.37
FC(F)(F)OC1=CC=CC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223981	1	39	0.0	-54.19	325.40	6.21	-47.98
CCOC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223982	0	45	0.0	-51.36	367.28	4.28	-47.08
CCOC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223982	1	45	0.0	-46.60	367.32	4.33	-42.27
CCOC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)C=C1	REAL300020223982	1	44	-1.0	-43.18	357.45	1.79	-41.39
CCOC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020223982	1	44	-1.0	-43.18	357.53	1.81	-41.37
CCCCCCCCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223983	0	55	0.0	-46.10	413.07	10.44	-35.66
CCCCCCCCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223983	1	55	0.0	-45.86	414.26	10.49	-35.37
CCCCCCCCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223983	1	55	0.0	-46.05	412.99	10.42	-35.63
CCCCCCCCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020223983	1	55	0.0	-45.79	414.19	10.49	-35.30
C(C1=NOC(C2CCCCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223984	0	42	-1.0	-41.16	325.73	1.64	-39.52
C(C1=NOC(C2CCCCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020223984	1	42	-1.0	-41.14	325.81	1.65	-39.49
CC(C)(C)OC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223985	0	47	0.0	-53.16	365.89	8.23	-44.93
CC(C)(C)OC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223985	1	47	0.0	-53.61	367.38	8.24	-45.37
OC(CC1=CC=C(C(F)(F)F)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223986	0	42	0.0	-52.04	349.72	5.00	-47.04
OC(CC1=CC=C(C(F)(F)F)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223986	1	42	0.0	-53.37	346.24	5.37	-48.00
COC(=O)C1=C(C)C=C(C(C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223987	0	41	0.0	-53.86	332.47	5.68	-48.18
COC(=O)C1=C(C)C=C(C(C)[N@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020223987	1	41	0.0	-48.60	331.97	5.71	-42.89
C1=C(C2=CC=CC=C2)SC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223988	0	38	0.0	-44.42	322.34	6.50	-37.92
C1=C(C2=CC=CC=C2)SC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223988	1	38	0.0	-46.96	321.13	6.39	-40.57
C1=C(C2=CC=CC=C2)SC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020223988	1	37	-1.0	-43.21	311.34	3.81	-39.40
C1=C(C2=CC=CC=C2)SC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020223988	1	37	-1.0	-43.23	311.41	3.83	-39.40
CC(C)OC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223989	0	44	0.0	-54.16	353.11	7.81	-46.35
CC(C)OC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020223989	1	44	0.0	-54.66	353.06	7.83	-46.83
COC(=O)CN1C=C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020223990	0	40	0.0	-60.89	331.48	3.88	-57.01
COC(=O)CN1C=C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020223990	1	40	0.0	-63.36	330.99	3.90	-59.46
COC(=O)CN1C=C(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020223990	1	40	0.0	-60.85	331.41	3.86	-56.99
COC(=O)CN1C=C(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020223990	1	40	0.0	-63.31	330.92	3.89	-59.42
CN(C(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223991	0	42	0.0	-55.64	335.62	6.39	-49.25
CN(C(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020223991	1	42	0.0	-59.38	335.15	6.41	-52.97
CN(C(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223991	1	42	0.0	-55.59	335.55	6.38	-49.21
CN(C(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020223991	1	42	0.0	-59.31	335.08	6.39	-52.92
OC1(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2C3CC4C5CC(C42)C1C53	REAL300020223992	0	46	0.0	-47.68	314.11	4.69	-42.99
OC1(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2C3CC4C5CC(C42)C1C53	REAL300020223992	1	46	0.0	-47.83	317.33	4.85	-42.98
OC1(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C2C3CC4C5CC(C42)C1C53	REAL300020223992	1	46	0.0	-47.61	314.03	4.69	-42.92
OC1(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C2C3CC4C5CC(C42)C1C53	REAL300020223992	1	46	0.0	-47.78	317.26	4.84	-42.94
CC1=CC(C)=CC(OCC2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020223993	0	46	-1.0	-41.64	380.78	2.73	-38.91
CC1=CC(C)=CC(OCC2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020223993	1	46	-1.0	-41.63	380.85	2.74	-38.89
COC1=CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=CC=C1C	REAL300020223994	0	43	-1.0	-41.74	356.95	2.00	-39.74
COC1=CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=CC=C1C	REAL300020223994	1	43	-1.0	-41.75	357.02	2.00	-39.75
CS(=O)(=O)C1=CC=C(F)C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020223995	0	41	-1.0	-51.04	352.57	-0.96	-52.00
CS(=O)(=O)C1=CC=C(F)C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020223995	1	41	-1.0	-51.03	352.63	-0.95	-51.98
FC1=CC=CC(F)=C1C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CO1	REAL300020223996	0	37	-1.0	-45.41	322.45	1.87	-43.54
FC1=CC=CC(F)=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020223996	1	38	0.0	-53.16	325.05	4.44	-48.72
FC1=CC=CC(F)=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020223996	1	38	0.0	-47.42	325.03	4.50	-42.92
FC1=CC=CC(F)=C1C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020223996	1	37	-1.0	-45.42	322.51	1.89	-43.53
CC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300020223997	0	43	0.0	-47.26	366.73	7.95	-39.31
CC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300020223997	1	43	0.0	-48.63	366.37	8.11	-40.52
COC(=O)CC1=CC=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223998	0	41	0.0	-41.35	324.90	7.11	-34.24
COC(=O)CC1=CC=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020223998	1	41	0.0	-47.52	328.13	7.01	-40.51
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Br	REAL300020223999	0	36	0.0	-46.59	300.63	4.15	-42.44
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Br	REAL300020223999	1	36	0.0	-46.21	301.80	3.86	-42.35
BrC1=CC=C(C2=NC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224000	0	40	0.0	-47.97	349.65	7.46	-40.51
BrC1=CC=C(C2=NC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224000	1	40	0.0	-50.74	347.83	7.83	-42.91
CC(C1=NC=C(C2=CC=C(Cl)C=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224001	0	40	-1.0	-42.11	347.57	2.76	-39.35
CC(C1=NC=C(C2=CC=C(Cl)C=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224001	1	40	-1.0	-42.11	347.64	2.78	-39.33
O=C1C=CC([N+](=O)[O-])=CN1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224002	0	37	0.0	-61.82	312.77	5.42	-56.40
O=C1C=CC([N+](=O)[O-])=CN1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224002	1	37	0.0	-62.94	311.98	5.37	-57.57
O=C1C=CC([N+](=O)[O-])=CN1CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224002	1	37	0.0	-61.73	312.70	5.41	-56.32
O=C1C=CC([N+](=O)[O-])=CN1CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224002	1	37	0.0	-62.87	311.91	5.36	-57.51
CN(CC1=CC=CC=C1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020224003	0	41	-1.0	-46.77	329.25	3.59	-43.18
CN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224003	1	42	0.0	-46.29	334.27	6.28	-40.01
CN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224003	1	42	0.0	-48.44	333.89	6.24	-42.20
CN(CC1=CC=CC=C1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224003	1	41	-1.0	-46.79	329.31	3.61	-43.18
ClC1=CC=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224004	0	40	0.0	-51.05	336.36	6.61	-44.44
ClC1=CC=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224004	1	40	0.0	-51.47	336.12	6.69	-44.78
ClC1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224004	1	39	-1.0	-48.57	334.14	4.09	-44.48
FC(F)OC1=C(Br)C=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224005	0	35	-1.0	-39.43	305.44	3.39	-36.04
FC(F)OC1=C(Br)C=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224005	1	35	-1.0	-39.46	305.51	3.40	-36.06
FC(F)OC1=C(Br)C=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224005	1	36	0.0	-44.49	307.73	5.96	-38.53
FC(F)OC1=C(Br)C=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224005	1	36	0.0	-45.46	312.34	5.83	-39.63
CC(C1=CC(Cl)=CC=C1Cl)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224006	0	35	0.0	-40.56	300.40	6.97	-33.59
CC(C1=CC(Cl)=CC=C1Cl)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224006	1	35	0.0	-44.71	300.51	6.98	-37.73
CC(C1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020224006	1	34	-1.0	-38.53	302.84	5.32	-33.21
CC(C1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020224006	1	34	-1.0	-38.59	302.91	5.32	-33.27
FC(F)(F)C1=CSC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224007	0	30	-1.0	-38.98	280.65	1.18	-37.80
FC(F)(F)C1=CSC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224007	1	30	-1.0	-39.01	280.71	1.19	-37.82
OC1(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2C3CC4C5CC(C2C35)C41	REAL300020224008	0	46	0.0	-47.57	315.61	5.43	-42.14
OC1(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2C3CC4C5CC(C2C35)C41	REAL300020224008	1	46	0.0	-45.42	315.13	4.67	-40.75
OC1(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C2C3CC4C5CC(C2C35)C41	REAL300020224008	1	46	0.0	-47.57	315.54	5.42	-42.15
OC1(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C2C3CC4C5CC(C2C35)C41	REAL300020224008	1	46	0.0	-45.44	315.07	4.66	-40.78
O=[N+]([O-])C1=CC=CC(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224009	0	38	0.0	-58.47	312.76	4.31	-54.16
O=[N+]([O-])C1=CC=CC(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224009	1	38	0.0	-60.20	311.10	4.35	-55.85
FC1=CC=CC(F)=C1N1C=CC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224010	0	38	-1.0	-47.42	316.18	4.07	-43.35
FC1=CC=CC(F)=C1N1C=CC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224010	1	38	-1.0	-47.38	316.26	4.08	-43.30
FC1=CC=CC(F)=C1N1C=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224010	1	39	0.0	-50.76	326.13	6.86	-43.90
FC1=CC=CC(F)=C1N1C=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224010	1	39	0.0	-45.68	325.89	6.86	-38.82
CC(C1=NC=C(C2=CC=C(Cl)C(Cl)=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224011	0	40	-1.0	-42.76	362.73	3.21	-39.55
CC(C1=NC=C(C2=CC=C(Cl)C(Cl)=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224011	1	40	-1.0	-42.75	362.80	3.22	-39.53
C(C1=NN=C(C2CC2)N1C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224012	0	41	-1.0	-43.32	332.98	5.11	-38.21
C(C1=NN=C(C2CC2)N1C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224012	1	41	-1.0	-43.34	333.05	5.11	-38.23
C(C1=NN=C(C2CC2)N1C1CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224012	1	42	0.0	-48.85	335.11	7.44	-41.41
C(C1=NN=C(C2CC2)N1C1CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224012	1	42	0.0	-52.15	332.86	7.19	-44.96
O=C1C2=CC=CC=C2C(=O)N1CCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224013	0	51	0.0	-51.59	410.79	8.29	-43.30
O=C1C2=CC=CC=C2C(=O)N1CCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224013	1	51	0.0	-53.61	411.52	8.42	-45.19
O=C1C2=CC=CC=C2C(=O)N1CCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224013	1	51	0.0	-51.54	410.72	8.29	-43.25
O=C1C2=CC=CC=C2C(=O)N1CCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224013	1	51	0.0	-53.55	411.44	8.42	-45.13
COC(=O)C(C1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020224014	0	40	-1.0	-46.14	335.58	5.06	-41.08
COC(=O)C(C1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020224014	1	40	-1.0	-46.18	335.64	5.07	-41.11
O=[N+]([O-])C1=CC=CC=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224015	0	42	0.0	-61.83	343.70	4.56	-57.27
O=[N+]([O-])C1=CC=CC=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224015	1	42	0.0	-61.61	345.88	4.40	-57.21
COC1=CC(Br)=CC=C1CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224016	0	42	0.0	-47.39	351.13	7.13	-40.26
COC1=CC(Br)=CC=C1CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224016	1	42	0.0	-48.80	350.49	7.19	-41.61
COC1=CC(Br)=CC=C1CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224016	1	42	0.0	-47.35	351.07	7.13	-40.22
COC1=CC(Br)=CC=C1CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224016	1	42	0.0	-48.80	350.42	7.18	-41.62
FC1=CC=C(N2C=C(CN3CCC(C4=N[N-]N=N4)C3)N=N2)C=C1Cl	REAL300020224017	0	37	-1.0	-40.27	332.33	3.44	-36.83
FC1=CC=C(N2C=C(CN3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1Cl	REAL300020224017	1	37	-1.0	-40.29	332.40	3.45	-36.84
FC1=CC=C(N2C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1Cl	REAL300020224017	1	38	0.0	-60.93	334.88	5.95	-54.98
FC1=CC=C(N2C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1Cl	REAL300020224017	1	38	0.0	-51.42	334.46	6.05	-45.37
O=[N+]([O-])C1=CC=C(S(=O)(=O)CCN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224018	0	39	-1.0	-46.38	344.84	1.49	-44.89
O=[N+]([O-])C1=CC=C(S(=O)(=O)CCN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224018	1	39	-1.0	-46.41	344.91	1.50	-44.91
OC(COC1=CC=CC=C1C(F)(F)F)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224019	0	43	0.0	-54.97	357.29	4.05	-50.92
OC(COC1=CC=CC=C1C(F)(F)F)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224019	1	43	0.0	-55.22	353.47	4.39	-50.83
O=[N+]([O-])C1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020224020	0	33	-1.0	-41.73	299.09	4.46	-37.27
O=[N+]([O-])C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020224020	1	34	0.0	-56.57	297.44	6.70	-49.87
O=[N+]([O-])C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020224020	1	34	0.0	-57.93	300.24	6.74	-51.19
O=[N+]([O-])C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020224020	1	33	-1.0	-41.73	299.17	4.46	-37.27
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224021	0	43	0.0	-54.89	343.00	3.89	-51.00
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224021	1	43	0.0	-60.13	344.02	4.01	-56.12
COC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224021	1	43	0.0	-54.83	342.93	3.88	-50.95
COC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224021	1	43	0.0	-60.06	343.94	4.00	-56.06
CC(C)(C)OC(=O)CNC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020224022	0	43	-1.0	-43.95	340.39	0.66	-43.29
CC(C)(C)OC(=O)CNC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224022	1	43	-1.0	-43.98	340.46	0.67	-43.31
CCN(CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020224023	0	42	0.0	-49.49	325.06	4.06	-45.43
CCN(CCC[N@H+]1CCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020224023	1	42	0.0	-49.26	328.47	4.42	-44.84
CCN(CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300020224023	1	42	0.0	-49.45	324.99	4.05	-45.40
CCN(CCC[N@H+]1CCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300020224023	1	42	0.0	-49.26	328.39	4.42	-44.84
BrC1=CC=CC=C1CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224024	0	38	0.0	-45.21	318.72	7.62	-37.59
BrC1=CC=CC=C1CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224024	1	38	0.0	-45.03	317.65	7.61	-37.42
CCOC(=O)CC1=CSC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224025	0	43	-1.0	-49.46	368.49	1.97	-47.49
CCOC(=O)CC1=CSC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224025	1	43	-1.0	-49.48	368.55	1.99	-47.49
FC1=CC=CC(F)=C1C1=CSC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224026	0	37	-1.0	-47.24	319.44	3.96	-43.28
FC1=CC=CC(F)=C1C1=CSC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224026	1	38	0.0	-47.13	330.74	6.64	-40.49
FC1=CC=CC(F)=C1C1=CSC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224026	1	38	0.0	-48.89	329.29	6.58	-42.31
FC1=CC=CC(F)=C1C1=CSC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224026	1	37	-1.0	-47.26	319.51	3.97	-43.29
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OCC(F)F	REAL300020224027	0	45	0.0	-58.89	372.53	6.78	-52.11
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OCC(F)F	REAL300020224027	1	45	0.0	-58.64	372.79	6.71	-51.93
COC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1OCC(F)F	REAL300020224027	1	44	-1.0	-44.19	371.28	4.75	-39.44
COC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OCC(F)F	REAL300020224027	1	44	-1.0	-44.16	371.35	4.77	-39.39
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=C(F)C(Cl)=C1	REAL300020224028	0	39	-1.0	-53.11	332.02	4.05	-49.06
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(F)C(Cl)=C1	REAL300020224028	1	39	-1.0	-53.17	332.10	4.06	-49.11
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(F)C(Cl)=C1	REAL300020224028	1	40	0.0	-52.32	333.76	6.36	-45.96
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(F)C(Cl)=C1	REAL300020224028	1	40	0.0	-53.37	333.63	6.39	-46.98
COC1=CC=C(C[N@@H+]2CCCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224029	0	58	0.0	-66.25	432.21	5.91	-60.34
COC1=CC=C(C[N@H+]2CCCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224029	1	58	0.0	-73.66	431.02	5.88	-67.78
CCOC(=O)C1=C(C)C2=C(N)N=C(CN3CCC(C4=N[N-]N=N4)C3)N=C2S1	REAL300020224030	0	46	-1.0	-41.49	385.47	2.75	-38.74
CCOC(=O)C1=C(C)C2=C(N)N=C(CN3CCC(C4=NN=N[N-]4)C3)N=C2S1	REAL300020224030	1	46	-1.0	-41.47	385.54	2.77	-38.70
NC1=C2C3=C(CCCC3)SC2=NC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224031	0	48	0.0	-50.00	379.31	6.39	-43.61
NC1=C2C3=C(CCCC3)SC2=NC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224031	1	48	0.0	-52.20	378.28	6.44	-45.76
CC1CCC2=C(C1)SC1=NC(CN3CCC(C4=N[N-]N=N4)C3)=NC(N)=C12	REAL300020224032	0	47	-1.0	-45.22	375.61	3.93	-41.29
CC1CCC2=C(C1)SC1=NC(CN3CCC(C4=NN=N[N-]4)C3)=NC(N)=C12	REAL300020224032	1	47	-1.0	-45.28	375.68	3.93	-41.35
CC1CCC2=C(C1)SC1=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NC(N)=C12	REAL300020224032	1	48	0.0	-43.35	379.16	6.28	-37.07
CC1CCC2=C(C1)SC1=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NC(N)=C12	REAL300020224032	1	48	0.0	-42.89	377.98	6.35	-36.54
CC1=C(C)C2=C(N)N=C(C(C)N3CCC(C4=N[N-]N=N4)C3)N=C2S1	REAL300020224033	0	43	-1.0	-47.81	351.53	2.48	-45.33
CC1=C(C)C2=C(N)N=C(C(C)[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=C2S1	REAL300020224033	1	44	0.0	-41.91	352.36	4.86	-37.05
CC1=C(C)C2=C(N)N=C(C(C)[N@H+]3CCC(C4=NN=N[N-]4)C3)N=C2S1	REAL300020224033	1	44	0.0	-42.31	351.46	4.77	-37.54
CC1=C(C)C2=C(N)N=C(C(C)N3CCC(C4=NN=N[N-]4)C3)N=C2S1	REAL300020224033	1	43	-1.0	-47.80	351.59	2.49	-45.31
N#CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224034	0	33	0.0	-52.56	293.61	6.50	-46.06
N#CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224034	1	33	0.0	-54.63	296.38	6.55	-48.08
N#CC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020224034	1	32	-1.0	-41.55	295.51	4.33	-37.22
N#CC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224034	1	32	-1.0	-41.58	295.58	4.34	-37.24
O=C(CC1=CC=CC=C1)OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224035	0	41	0.0	-50.70	333.27	7.41	-43.29
O=C(CC1=CC=CC=C1)OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224035	1	41	0.0	-51.25	334.85	7.43	-43.82
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=C(Cl)C(Cl)=C1	REAL300020224036	0	39	-1.0	-52.41	341.33	4.46	-47.95
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C(Cl)=C1	REAL300020224036	1	40	0.0	-51.40	343.07	6.77	-44.63
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C(Cl)=C1	REAL300020224036	1	40	0.0	-52.37	342.94	6.80	-45.57
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C(Cl)=C1	REAL300020224036	1	39	-1.0	-52.38	341.41	4.47	-47.91
CC1=CC(Br)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224037	0	35	0.0	-47.85	294.26	6.86	-40.99
CC1=CC(Br)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224037	1	35	0.0	-47.80	294.18	6.87	-40.93
CC1=CC=C(C[N@@H+]2CCCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224038	0	57	0.0	-63.55	424.08	7.28	-56.27
CC1=CC=C(C[N@H+]2CCCN(C(=O)CN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224038	1	57	0.0	-70.18	422.91	7.25	-62.93
CC1=CC=C(C[N@@H+]2CCCN(C(=O)CN3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224038	1	57	0.0	-63.57	424.15	7.30	-56.27
CC1=CC=C(C[N@H+]2CCCN(C(=O)CN3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224038	1	57	0.0	-70.20	422.98	7.25	-62.95
COC1=CC=C2N=C(CN3CCC(C4=N[N-]N=N4)C3)NC2=N1	REAL300020224039	0	37	-1.0	-43.80	309.77	-0.33	-44.13
COC1=CC=C2N=C(CN3CCC(C4=NN=N[N-]4)C3)NC2=N1	REAL300020224039	1	37	-1.0	-43.79	309.85	-0.32	-44.11
COC1=CC=C2N=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)NC2=N1	REAL300020224039	1	38	0.0	-49.45	313.26	1.99	-47.46
COC1=CC=C2N=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)NC2=N1	REAL300020224039	1	38	0.0	-51.08	310.99	2.27	-48.81
COC1=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C2=CC=CC=C2C=C1	REAL300020224040	0	48	0.0	-50.88	380.08	8.77	-42.11
COC1=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C2=CC=CC=C2C=C1	REAL300020224040	1	48	0.0	-53.32	380.38	8.85	-44.47
CC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020224041	0	45	0.0	-58.58	358.50	1.62	-56.96
CC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020224041	1	45	0.0	-55.99	356.72	1.81	-54.18
BrC1=CC2=C(C=C1C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OCCCO2	REAL300020224042	0	41	0.0	-48.04	337.91	6.15	-41.89
BrC1=CC2=C(C=C1C[N@H+]1CCC(C3=NN=N[N-]3)C1)OCCCO2	REAL300020224042	1	41	0.0	-44.98	337.83	6.16	-38.82
BrC1=CC2=C(C=C1CN1CCC(C3=N[N-]N=N3)C1)OCCCO2	REAL300020224042	1	40	-1.0	-39.75	322.95	2.85	-36.90
BrC1=CC2=C(C=C1CN1CCC(C3=NN=N[N-]3)C1)OCCCO2	REAL300020224042	1	40	-1.0	-39.82	323.02	2.87	-36.95
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=CC(C(F)(F)F)=C1	REAL300020224043	0	49	0.0	-44.21	389.17	8.06	-36.15
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=CC(C(F)(F)F)=C1	REAL300020224043	1	49	0.0	-45.94	389.34	8.09	-37.85
COC1=CC=C(N2CCN(CC(O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224044	0	57	0.0	-50.99	423.22	1.55	-49.44
COC1=CC=C(N2CCN(CC(O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224044	1	57	0.0	-51.12	422.83	1.74	-49.38
N#CC1=CC=C(N2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020224045	0	44	0.0	-49.35	354.82	6.97	-42.38
N#CC1=CC=C(N2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020224045	1	44	0.0	-58.56	354.50	7.08	-51.48
N#CC1=CC=C(N2CCCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)C=C1	REAL300020224045	1	43	-1.0	-49.47	346.84	4.47	-45.00
N#CC1=CC=C(N2CCCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020224045	1	43	-1.0	-49.44	346.91	4.48	-44.96
IC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224046	0	31	-1.0	-37.25	279.59	4.07	-33.18
IC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224046	1	32	0.0	-49.30	284.01	6.63	-42.67
IC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224046	1	32	0.0	-48.77	285.51	6.64	-42.13
IC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224046	1	31	-1.0	-37.24	279.67	4.08	-33.16
CC1=CC=C([N+](=O)[O-])C=C1C(C)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224047	0	40	0.0	-57.41	315.35	7.24	-50.17
CC1=CC=C([N+](=O)[O-])C=C1C(C)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224047	1	40	0.0	-54.08	313.36	7.24	-46.84
FC(F)(F)OC1=CC=C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224048	0	39	0.0	-53.25	326.48	6.19	-47.06
FC(F)(F)OC1=CC=C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224048	1	39	0.0	-53.21	325.91	6.22	-46.99
FC(F)(F)OC1=CC=C(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224048	1	39	0.0	-53.24	326.41	6.18	-47.06
FC(F)(F)OC1=CC=C(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224048	1	39	0.0	-53.15	325.84	6.21	-46.94
CC1=CC=C(S(=O)(=O)CCCN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224049	0	43	-1.0	-47.60	359.07	2.34	-45.26
CC1=CC=C(S(=O)(=O)CCCN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224049	1	43	-1.0	-47.64	359.15	2.35	-45.29
CC1=CC=C(S(=O)(=O)CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224049	1	44	0.0	-59.54	362.09	4.86	-54.68
CC1=CC=C(S(=O)(=O)CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224049	1	44	0.0	-58.72	361.63	4.90	-53.82
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020224050	0	36	0.0	-48.12	314.64	4.61	-43.51
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020224050	1	36	0.0	-48.87	316.33	4.32	-44.55
CC1=CC=CC(Cl)=C1NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020224051	0	38	-1.0	-46.66	326.47	3.09	-43.57
CC1=CC=CC(Cl)=C1NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224051	1	38	-1.0	-46.60	326.53	3.11	-43.49
CS(=O)(=O)C1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)C=C1	REAL300020224052	0	43	-1.0	-51.46	366.79	-0.90	-52.36
CS(=O)(=O)C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020224052	1	44	0.0	-60.68	376.63	1.59	-59.09
CS(=O)(=O)C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020224052	1	44	0.0	-55.49	376.67	1.64	-53.85
CS(=O)(=O)C1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020224052	1	43	-1.0	-51.48	366.86	-0.88	-52.36
O=[N+]([O-])C1=CC=C(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224053	0	38	0.0	-60.22	313.68	4.19	-56.03
O=[N+]([O-])C1=CC=C(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224053	1	38	0.0	-61.33	312.02	4.39	-56.94
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224054	0	38	0.0	-54.38	316.52	6.32	-48.06
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224054	1	38	0.0	-56.16	319.53	6.32	-49.84
COC(=O)C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224054	1	37	-1.0	-40.20	309.88	3.72	-36.48
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)NC1CC1	REAL300020224055	0	50	0.0	-55.50	396.70	5.16	-50.34
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1C(=O)NC1CC1	REAL300020224055	1	50	0.0	-54.29	397.92	5.21	-49.08
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)NC1CC1	REAL300020224055	1	50	0.0	-55.41	396.63	5.14	-50.27
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1C(=O)NC1CC1	REAL300020224055	1	50	0.0	-54.28	397.85	5.20	-49.08
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=CC=C1	REAL300020224056	0	46	0.0	-42.89	350.35	7.06	-35.83
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=CC=C1	REAL300020224056	1	46	0.0	-43.14	351.48	7.06	-36.08
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020224058	0	41	0.0	-50.15	335.81	7.32	-42.83
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020224058	1	41	0.0	-50.08	335.82	7.35	-42.73
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020224058	1	41	0.0	-50.14	335.74	7.31	-42.83
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020224058	1	41	0.0	-50.08	335.76	7.34	-42.74
C1=CC=C(OC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020224059	0	41	0.0	-56.68	340.53	4.53	-52.15
C1=CC=C(OC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020224059	1	41	0.0	-53.21	340.71	4.72	-48.49
C1=CC=C(OC2=CC=C(CN3CCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020224059	1	40	-1.0	-45.79	330.36	1.82	-43.97
C1=CC=C(OC2=CC=C(CN3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020224059	1	40	-1.0	-45.82	330.44	1.83	-43.99
CC(C(=O)C1=CN=C2NC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020224060	0	39	-1.0	-61.63	311.56	2.84	-58.79
CC(C(=O)C1=CN=C2NC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020224060	1	39	-1.0	-61.65	311.64	2.86	-58.79
CC(C(=O)C1=CN=C2NC=CC=C12)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224060	1	40	0.0	-66.11	316.51	5.11	-61.00
CC(C(=O)C1=CN=C2NC=CC=C12)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224060	1	40	0.0	-66.26	314.55	5.08	-61.18
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCCN1C1=CC=CC=C1F	REAL300020224061	0	42	-1.0	-44.34	337.57	4.33	-40.01
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC=C1F	REAL300020224061	1	42	-1.0	-44.33	337.64	4.34	-39.99
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC=C1F	REAL300020224061	1	43	0.0	-46.62	340.09	6.76	-39.86
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=CC=C1F	REAL300020224061	1	43	0.0	-57.20	338.47	6.76	-50.44
N#CC(C1=CC=C(F)C=C1)N1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224062	0	52	0.0	-54.25	412.24	6.14	-48.11
N#CC(C1=CC=C(F)C=C1)N1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224062	1	52	0.0	-52.40	413.43	6.10	-46.30
N#CC(C1=CC=C(F)C=C1)N1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224062	1	51	-1.0	-50.18	406.49	3.67	-46.51
N#CC(C1=CC=C(F)C=C1)N1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224062	1	51	-1.0	-50.24	406.56	3.68	-46.56
N#CC(C1=CC=CS1)N1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224063	0	49	0.0	-52.29	396.71	4.97	-47.32
N#CC(C1=CC=CS1)N1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224063	1	49	0.0	-50.72	398.55	4.95	-45.77
N#CC(C1=CC=CS1)N1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224063	1	48	-1.0	-46.66	393.99	2.62	-44.04
N#CC(C1=CC=CS1)N1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224063	1	48	-1.0	-46.65	394.06	2.63	-44.02
C1=CC=C(CSCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224064	0	42	0.0	-48.42	346.60	8.53	-39.89
C1=CC=C(CSCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224064	1	42	0.0	-49.28	346.13	8.56	-40.72
C1=CC=C(CSCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224064	1	42	0.0	-48.40	346.53	8.51	-39.89
C1=CC=C(CSCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224064	1	42	0.0	-49.21	346.06	8.56	-40.65
COC(=O)C1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1C#N	REAL300020224065	0	38	-1.0	-53.68	315.98	3.18	-50.50
COC(=O)C1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020224065	1	38	-1.0	-53.71	316.05	3.19	-50.52
COC(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020224065	1	39	0.0	-51.35	318.59	5.75	-45.60
COC(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020224065	1	39	0.0	-54.78	325.55	6.22	-48.56
CC1=C(C)C2=C(NC(CN3CCC(C4=N[N-]N=N4)C3)=NC2=O)S1	REAL300020224066	0	39	-1.0	-58.39	326.29	2.27	-56.12
CC1=C(C)C2=C(NC(CN3CCC(C4=NN=N[N-]4)C3)=NC2=O)S1	REAL300020224066	1	39	-1.0	-58.41	326.36	2.28	-56.13
FC(F)(F)C1=NN=C(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224067	0	36	0.0	-54.95	313.30	0.52	-54.43
FC(F)(F)C1=NN=C(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224067	1	36	0.0	-55.66	313.06	0.52	-55.14
COC(=O)C1=CC=CC(C(C(=O)OC)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224068	0	43	-1.0	-43.73	350.59	3.96	-39.77
COC(=O)C1=CC=CC(C(C(=O)OC)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224068	1	43	-1.0	-43.70	350.66	3.98	-39.72
CC(C)C(C#N)N1CCN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224069	0	51	0.0	-49.86	385.05	4.24	-45.62
CC(C)C(C#N)N1CCN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224069	1	51	0.0	-53.50	384.41	4.37	-49.13
CC(C)C(C#N)N1CCN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224069	1	50	-1.0	-48.15	381.57	1.95	-46.20
CC(C)C(C#N)N1CCN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224069	1	50	-1.0	-48.13	381.65	1.95	-46.18
NS(=O)(=O)C1=CC=C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224070	0	40	0.0	-58.29	334.22	1.35	-56.94
NS(=O)(=O)C1=CC=C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224070	1	40	0.0	-58.69	334.17	1.32	-57.37
NS(=O)(=O)C1=CC=C(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224070	1	40	0.0	-58.28	334.16	1.33	-56.95
NS(=O)(=O)C1=CC=C(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224070	1	40	0.0	-58.71	334.10	1.32	-57.39
O=[N+]([O-])C1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020224071	0	40	0.0	-57.16	344.16	4.72	-52.44
O=[N+]([O-])C1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020224071	1	40	0.0	-52.29	344.20	4.77	-47.52
O=[N+]([O-])C1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)C=C1	REAL300020224071	1	39	-1.0	-40.46	341.60	2.14	-38.32
O=[N+]([O-])C1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1	REAL300020224071	1	39	-1.0	-40.48	341.67	2.16	-38.32
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=C(Cl)C(F)=C1	REAL300020224072	0	39	-1.0	-53.79	332.02	4.06	-49.73
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C(F)=C1	REAL300020224072	1	39	-1.0	-53.80	332.09	4.07	-49.73
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C(F)=C1	REAL300020224072	1	40	0.0	-52.44	333.75	6.37	-46.07
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C(F)=C1	REAL300020224072	1	40	0.0	-53.58	333.62	6.40	-47.18
COC(=O)CC1=CSC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224073	0	40	-1.0	-49.72	346.63	1.05	-48.67
COC(=O)CC1=CSC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224073	1	40	-1.0	-49.70	346.69	1.07	-48.63
CC1=CC=CC(S(=O)(=O)CCCN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224074	0	43	-1.0	-48.11	358.00	2.18	-45.93
CC1=CC=CC(S(=O)(=O)CCCN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224074	1	43	-1.0	-48.14	358.06	2.20	-45.94
CC1=CC=CC(S(=O)(=O)CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224074	1	44	0.0	-58.71	362.17	4.81	-53.90
CC1=CC=CC(S(=O)(=O)CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224074	1	44	0.0	-58.11	362.63	4.84	-53.27
CC1=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=NN1C	REAL300020224075	0	41	0.0	-52.93	335.33	5.22	-47.71
CC1=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=NN1C	REAL300020224075	1	41	0.0	-54.92	335.63	5.32	-49.60
COC(=O)C(C1=CC=CC=C1C)N1CCC(C2=N[N-]N=N2)C1	REAL300020224076	0	40	-1.0	-47.09	314.14	4.68	-42.41
COC(=O)C(C1=CC=CC=C1C)N1CCC(C2=NN=N[N-]2)C1	REAL300020224076	1	40	-1.0	-47.08	314.20	4.70	-42.38
COC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1F	REAL300020224077	0	37	-1.0	-46.30	299.79	2.21	-44.09
COC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1F	REAL300020224077	1	37	-1.0	-46.33	299.86	2.23	-44.10
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1F	REAL300020224077	1	38	0.0	-48.60	314.50	5.75	-42.85
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1F	REAL300020224077	1	38	0.0	-57.87	314.92	5.64	-52.23
C1=CC=C(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020224078	0	36	-1.0	-47.94	308.38	2.55	-45.39
C1=CC=C(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020224078	1	36	-1.0	-47.91	308.44	2.57	-45.34
ClC1=CC=C(N2C=CC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020224079	0	38	-1.0	-41.54	324.93	4.30	-37.24
ClC1=CC=C(N2C=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224079	1	39	0.0	-49.06	334.27	7.23	-41.83
ClC1=CC=C(N2C=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224079	1	39	0.0	-45.61	334.84	7.25	-38.36
ClC1=CC=C(N2C=CC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224079	1	38	-1.0	-41.58	325.00	4.31	-37.27
COC1=CC=CC=C1S(=O)(=O)CCCN1CCC(C2=N[N-]N=N2)C1	REAL300020224080	0	44	-1.0	-46.54	364.82	1.43	-45.11
COC1=CC=CC=C1S(=O)(=O)CCCN1CCC(C2=NN=N[N-]2)C1	REAL300020224080	1	44	-1.0	-46.54	364.88	1.45	-45.09
COC1=CC=CC=C1S(=O)(=O)CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224080	1	45	0.0	-58.31	367.47	3.98	-54.33
COC1=CC=CC=C1S(=O)(=O)CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224080	1	45	0.0	-57.69	367.86	4.00	-53.69
O=S(=O)(CCCN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224081	0	40	-1.0	-48.29	336.60	1.52	-46.77
O=S(=O)(CCCN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224081	1	40	-1.0	-48.25	336.67	1.53	-46.72
O=S(=O)(CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224081	1	41	0.0	-58.81	340.72	4.14	-54.67
O=S(=O)(CCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224081	1	41	0.0	-58.79	340.74	4.14	-54.65
CC(C)(C)CN1CCCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224082	0	48	0.0	-41.52	341.28	5.89	-35.63
CC(C)(C)CN1CCCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224082	1	48	0.0	-51.86	342.06	5.93	-45.93
CC(C)(C)CN1CCCC(N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224082	1	47	-1.0	-50.66	339.75	3.57	-47.09
CC1=CC=C(Cl)C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224083	0	43	0.0	-52.94	357.25	4.18	-48.76
CC1=CC=C(Cl)C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224083	1	43	0.0	-53.13	357.30	4.22	-48.91
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020224084	0	50	0.0	-62.22	391.76	5.71	-56.51
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020224084	1	50	0.0	-68.05	392.05	5.85	-62.20
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020224084	1	50	0.0	-62.19	391.69	5.70	-56.49
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300020224084	1	50	0.0	-67.97	391.98	5.85	-62.12
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(F)=C1	REAL300020224085	0	36	0.0	-55.24	307.13	4.22	-51.02
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(F)=C1	REAL300020224085	1	36	0.0	-53.40	309.47	3.85	-49.55
FC(F)(F)SC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224086	0	36	0.0	-48.43	314.85	7.00	-41.43
FC(F)(F)SC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224086	1	36	0.0	-49.31	311.81	7.02	-42.29
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC([N+](=O)[O-])=CC=C1F	REAL300020224087	0	41	0.0	-57.63	347.64	5.38	-52.25
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC([N+](=O)[O-])=CC=C1F	REAL300020224087	1	41	0.0	-63.18	348.36	5.50	-57.68
CCC(C)COC1=CC([N+](=O)[O-])=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020224088	0	54	0.0	-54.89	419.35	8.60	-46.29
CCC(C)COC1=CC([N+](=O)[O-])=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020224088	1	54	0.0	-54.71	419.54	8.52	-46.19
CCC(C)COC1=CC([N+](=O)[O-])=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020224088	1	53	-1.0	-46.91	404.49	5.10	-41.81
CCC(C)COC1=CC([N+](=O)[O-])=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020224088	1	53	-1.0	-46.95	404.56	5.11	-41.84
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NCC(=O)C1=CC=CC=C1	REAL300020224089	0	44	0.0	-51.64	359.18	4.60	-47.04
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NCC(=O)C1=CC=CC=C1	REAL300020224089	1	44	0.0	-55.51	359.93	4.74	-50.77
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NCC(=O)C1=CC=CC=C1	REAL300020224089	1	44	0.0	-51.63	359.11	4.60	-47.03
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NCC(=O)C1=CC=CC=C1	REAL300020224089	1	44	0.0	-55.52	359.86	4.73	-50.79
COC(=O)C(C1=CC=CC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020224090	0	37	-1.0	-42.14	325.73	4.27	-37.87
COC(=O)C(C1=CC=CC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020224090	1	37	-1.0	-42.18	325.80	4.28	-37.90
COC(=O)C1=CC=C(Cl)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224091	0	38	0.0	-46.34	326.35	6.78	-39.56
COC(=O)C1=CC=C(Cl)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224091	1	38	0.0	-46.41	326.60	6.75	-39.66
COC(=O)C1=CC=C(Cl)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224091	1	37	-1.0	-39.89	311.75	3.50	-36.39
COC(=O)C1=CC=C(Cl)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224091	1	37	-1.0	-39.92	311.82	3.52	-36.40
CC1=NC(C(F)(F)F)=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224092	0	33	-1.0	-40.80	284.98	1.13	-39.67
CC1=NC(C(F)(F)F)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224092	1	34	0.0	-43.43	299.79	4.56	-38.87
CC1=NC(C(F)(F)F)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224092	1	34	0.0	-47.71	298.87	4.58	-43.13
CC1=NC(C(F)(F)F)=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224092	1	33	-1.0	-40.85	285.05	1.14	-39.71
CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224093	0	51	0.0	-58.88	362.47	6.19	-52.69
CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224093	1	51	0.0	-55.60	363.30	6.25	-49.35
CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224093	1	51	0.0	-58.84	362.40	6.17	-52.67
CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224093	1	51	0.0	-55.56	363.23	6.24	-49.32
COC(=O)C(C1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020224094	0	37	-1.0	-39.88	309.10	4.36	-35.52
COC(=O)C(C1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020224094	1	37	-1.0	-39.87	309.17	4.37	-35.50
BrC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020224095	0	37	0.0	-45.42	311.02	7.09	-38.33
BrC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020224095	1	37	0.0	-47.97	317.63	6.64	-41.33
O=[N+]([O-])C1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020224096	0	33	-1.0	-41.73	299.09	4.46	-37.27
O=[N+]([O-])C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020224096	1	34	0.0	-56.57	297.44	6.70	-49.87
O=[N+]([O-])C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020224096	1	34	0.0	-57.93	300.24	6.74	-51.19
O=[N+]([O-])C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020224096	1	33	-1.0	-41.73	299.17	4.46	-37.27
CC(=O)C1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224097	0	40	-1.0	-54.11	327.26	1.88	-52.23
CC(=O)C1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224097	1	40	-1.0	-54.11	327.33	1.90	-52.21
ClC1=CC=C(N2C=C(CN3CCC(C4=N[N-]N=N4)C3)N=N2)C=C1Cl	REAL300020224098	0	37	-1.0	-47.61	341.09	4.03	-43.58
ClC1=CC=C(N2C=C(CN3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1Cl	REAL300020224098	1	37	-1.0	-47.68	341.16	4.04	-43.64
ClC1=CC=C(N2C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1Cl	REAL300020224098	1	38	0.0	-60.03	344.20	6.36	-53.67
ClC1=CC=C(N2C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1Cl	REAL300020224098	1	38	0.0	-50.83	343.77	6.46	-44.37
CC1=CC=C(NC(=O)C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020224099	0	43	-1.0	-46.81	365.53	1.53	-45.28
CC1=CC=C(NC(=O)C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020224099	1	43	-1.0	-46.81	365.46	1.51	-45.30
CN1N=C(C(F)(F)F)C(CN2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020224100	0	34	-1.0	-41.20	311.85	2.28	-38.92
CN1N=C(C(F)(F)F)C(CN2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224100	1	34	-1.0	-41.21	311.93	2.29	-38.92
COC(=O)C1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224101	0	42	0.0	-49.87	334.49	6.62	-43.25
COC(=O)C1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224101	1	42	0.0	-54.20	339.98	6.66	-47.54
BrC1=CN=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224102	0	30	-1.0	-38.35	270.46	1.98	-36.37
BrC1=CN=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224102	1	30	-1.0	-38.36	270.53	1.98	-36.38
BrC1=CN=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224102	1	31	0.0	-49.62	273.15	4.36	-45.26
BrC1=CN=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224102	1	31	0.0	-49.15	271.61	4.32	-44.83
CC(=O)C1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224103	0	40	-1.0	-51.68	328.55	1.97	-49.71
CC(=O)C1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224103	1	40	-1.0	-51.66	328.62	1.98	-49.68
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=CC(Br)=C1	REAL300020224104	0	39	-1.0	-42.27	329.75	4.12	-38.15
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(Br)=C1	REAL300020224104	1	40	0.0	-47.24	333.93	6.59	-40.65
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(Br)=C1	REAL300020224104	1	40	0.0	-47.90	332.34	6.44	-41.46
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC(Br)=C1	REAL300020224104	1	39	-1.0	-42.25	329.83	4.14	-38.11
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1	REAL300020224105	0	39	0.0	-54.04	330.22	5.12	-48.92
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C=C1	REAL300020224105	1	39	0.0	-59.24	330.97	5.25	-53.99
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1	REAL300020224105	1	39	0.0	-54.01	330.15	5.11	-48.90
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C=C1	REAL300020224105	1	39	0.0	-59.18	330.90	5.24	-53.94
CC1=CC(N2C=CN=C2)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224106	0	42	0.0	-53.66	329.16	8.59	-45.07
CC1=CC(N2C=CN=C2)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224106	1	42	0.0	-53.30	330.20	8.64	-44.66
CC1=CC(N2C=CN=C2)=CC=C1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224106	1	42	0.0	-53.64	329.09	8.58	-45.06
CC1=CC(N2C=CN=C2)=CC=C1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224106	1	42	0.0	-53.27	330.13	8.63	-44.64
CN(C)C1=NC=NC(Cl)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224107	0	37	-1.0	-41.34	312.15	2.79	-38.55
CN(C)C1=NC=NC(Cl)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224107	1	37	-1.0	-41.32	312.22	2.81	-38.51
CN(C)C1=NC=NC(Cl)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224107	1	38	0.0	-40.31	314.47	4.37	-35.94
CN(C)C1=NC=NC(Cl)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224107	1	38	0.0	-40.43	309.81	5.68	-34.75
N#CC1=CC=C(Br)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224108	0	33	0.0	-50.42	296.06	6.61	-43.81
N#CC1=CC=C(Br)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224108	1	33	0.0	-48.07	295.92	6.62	-41.45
N#CC1=CC=C(Br)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224108	1	32	-1.0	-38.61	280.97	3.30	-35.31
N#CC1=CC=C(Br)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224108	1	32	-1.0	-38.61	281.04	3.31	-35.30
FC(F)(F)CN1N=NN=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224109	0	32	-1.0	-43.28	283.52	1.39	-41.89
FC(F)(F)CN1N=NN=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224109	1	32	-1.0	-43.34	283.59	1.41	-41.93
BrC1=CC=CC2=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020224110	0	38	0.0	-49.83	317.50	8.29	-41.54
BrC1=CC=CC2=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020224110	1	38	0.0	-49.97	317.45	8.27	-41.70
CC(C1=NN=NN1C1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224111	0	45	-1.0	-42.87	346.82	2.87	-40.00
CC(C1=NN=NN1C1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224111	1	45	-1.0	-42.89	346.89	2.88	-40.01
CC(C1=NN=NN1C1CCCCC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224111	1	46	0.0	-57.95	349.67	5.08	-52.87
CC(C1=NN=NN1C1CCCCC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224111	1	46	0.0	-50.16	349.11	5.23	-44.93
CCOC(=O)C1CCC(O)(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224112	0	48	0.0	-49.19	356.38	4.97	-44.22
CCOC(=O)C1CCC(O)(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224112	1	48	0.0	-47.64	355.39	4.42	-43.22
CCOC(=O)C1CCC(O)(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224112	1	48	0.0	-49.17	356.31	4.96	-44.21
CCOC(=O)C1CCC(O)(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224112	1	48	0.0	-47.59	355.32	4.40	-43.19
CS(=O)(=O)N(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020224113	0	46	0.0	-60.78	371.80	4.63	-56.15
CS(=O)(=O)N(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020224113	1	46	0.0	-60.34	366.40	4.35	-55.99
CS(=O)(=O)N(CCN1CCC(C2=N[N-]N=N2)C1)CC1=CC=CC=C1	REAL300020224113	1	45	-1.0	-48.53	368.26	1.69	-46.84
CS(=O)(=O)N(CCN1CCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020224113	1	45	-1.0	-48.56	368.32	1.71	-46.85
CCOC(=O)C1=C(C)OC2=NC(CN3CCC(C4=N[N-]N=N4)C3)=NC(N)=C21	REAL300020224114	0	46	-1.0	-43.65	386.56	0.71	-42.94
CCOC(=O)C1=C(C)OC2=NC(CN3CCC(C4=NN=N[N-]4)C3)=NC(N)=C21	REAL300020224114	1	46	-1.0	-43.68	386.63	0.72	-42.96
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224115	0	52	0.0	-54.58	382.59	6.71	-47.87
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224115	1	52	0.0	-54.03	381.81	6.59	-47.44
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224115	1	52	0.0	-54.54	382.52	6.71	-47.83
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224115	1	52	0.0	-53.99	381.74	6.59	-47.40
CC(C)(C)OC(=O)N1CCCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224116	0	52	0.0	-48.78	381.83	6.57	-42.21
CC(C)(C)OC(=O)N1CCCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224116	1	52	0.0	-52.18	382.56	6.67	-45.51
CC(C)(C)OC(=O)N1CCCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224116	1	52	0.0	-48.68	381.76	6.57	-42.11
CC(C)(C)OC(=O)N1CCCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224116	1	52	0.0	-52.16	382.49	6.66	-45.50
FC(F)(F)C1=NC(Cl)=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224117	0	33	-1.0	-44.69	300.09	4.10	-40.59
FC(F)(F)C1=NC(Cl)=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224117	1	33	-1.0	-44.70	300.16	4.11	-40.59
FC(F)(F)C1=NC(Cl)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224117	1	34	0.0	-56.56	299.80	5.31	-51.25
FC(F)(F)C1=NC(Cl)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224117	1	34	0.0	-57.33	298.34	5.17	-52.16
O=S1(=O)CCN(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224118	0	40	0.0	-60.45	314.48	-0.32	-60.77
O=S1(=O)CCN(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224118	1	40	0.0	-59.49	314.15	-0.32	-59.81
O=S1(=O)CCN(CCN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224118	1	39	-1.0	-44.40	311.69	-2.85	-47.25
CC(C)(C)OC(=O)N1CCN(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224119	0	54	0.0	-51.80	398.57	4.25	-47.55
CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224119	1	54	0.0	-53.73	399.29	4.33	-49.40
CC(C)(C)OC(=O)N1CCN(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224119	1	54	0.0	-51.81	398.50	4.24	-47.57
CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224119	1	54	0.0	-53.65	399.22	4.32	-49.33
CC(C)[NH+]1CCN(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224120	0	52	1.0	-85.27	370.33	5.17	-80.10
CC(C)[NH+]1CCN(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224120	1	52	1.0	-85.65	366.53	5.12	-80.53
CC(C)[NH+]1CCN(CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224120	1	52	1.0	-85.24	370.26	5.15	-80.09
CC(C)[NH+]1CCN(CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224120	1	52	1.0	-85.58	366.46	5.10	-80.48
COC(=O)C1=CC=CC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224121	0	40	-1.0	-52.72	337.98	1.75	-50.97
COC(=O)C1=CC=CC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224121	1	40	-1.0	-52.74	338.05	1.76	-50.98
CC(C1=CC=C(S(C)(=O)=O)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224122	0	41	0.0	-53.63	333.44	3.74	-49.89
CC(C1=CC=C(S(C)(=O)=O)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224122	1	41	0.0	-54.71	335.05	3.83	-50.88
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C2C1	REAL300020224123	0	46	0.0	-52.62	356.16	7.05	-45.57
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C2C1	REAL300020224123	1	46	0.0	-59.19	355.41	7.10	-52.09
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C2C1	REAL300020224123	1	46	0.0	-52.56	356.10	7.04	-45.52
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C2C1	REAL300020224123	1	46	0.0	-59.11	355.34	7.08	-52.03
FC(F)(F)C(F)(F)COCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224124	0	35	0.0	-46.96	301.00	4.56	-42.40
FC(F)(F)C(F)(F)COCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224124	1	35	0.0	-49.18	303.69	4.42	-44.76
CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224125	0	55	0.0	-54.47	404.10	7.31	-47.16
CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224125	1	55	0.0	-54.45	404.16	7.31	-47.14
CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224125	1	55	0.0	-54.41	404.03	7.29	-47.12
CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224125	1	55	0.0	-54.39	404.08	7.31	-47.08
C1=CC=C(C2CCC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224126	0	48	0.0	-47.16	349.33	9.14	-38.02
C1=CC=C(C2CCC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224126	1	48	0.0	-48.13	349.40	9.19	-38.94
C1=CC=C(C2CCC(C[N@@H+]3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224126	1	48	0.0	-47.13	349.27	9.14	-37.99
C1=CC=C(C2CCC(C[N@H+]3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224126	1	48	0.0	-48.13	349.33	9.17	-38.96
FC1=CC=CC=C1C1=NOC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224127	0	36	-1.0	-41.63	312.47	1.88	-39.75
FC1=CC=CC=C1C1=NOC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224127	1	36	-1.0	-41.64	312.54	1.90	-39.74
FC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=NO2)C(F)=C1	REAL300020224128	0	36	-1.0	-44.24	312.14	1.31	-42.93
FC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=NO2)C(F)=C1	REAL300020224128	1	36	-1.0	-44.24	312.08	1.29	-42.95
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=C(F)C=C1F	REAL300020224129	0	46	0.0	-43.07	359.26	7.05	-36.02
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=C(F)C=C1F	REAL300020224129	1	46	0.0	-50.81	361.51	7.02	-43.79
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCCN1CC1=CC=C(F)C=C1F	REAL300020224129	1	45	-1.0	-47.34	359.58	4.74	-42.60
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCCN1CC1=CC=C(F)C=C1F	REAL300020224129	1	45	-1.0	-47.33	359.66	4.74	-42.59
ClC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020224130	0	31	-1.0	-39.94	282.85	3.69	-36.25
ClC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020224130	1	31	-1.0	-39.96	282.92	3.71	-36.25
ClC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020224130	1	32	0.0	-52.64	294.03	6.61	-46.03
ClC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020224130	1	32	0.0	-52.67	294.17	6.63	-46.04
N#CC(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020224131	0	49	0.0	-51.94	387.14	9.96	-41.98
N#CC(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020224131	1	49	0.0	-59.24	386.73	10.03	-49.21
N#CC(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020224131	1	49	0.0	-51.92	387.07	9.95	-41.97
N#CC(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020224131	1	49	0.0	-59.21	386.66	10.03	-49.18
CS(=O)(=O)C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224132	0	32	-1.0	-58.39	291.14	-3.84	-62.23
CS(=O)(=O)C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224132	1	32	-1.0	-58.39	291.21	-3.83	-62.22
CC(C1=NOC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224133	0	39	-1.0	-44.09	326.73	1.97	-42.12
CC(C1=NOC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224133	1	39	-1.0	-44.12	326.80	1.98	-42.14
CN1C(CN2CCC(C3=N[N-]N=N3)C2)=NN=C1C1=CC=C(Cl)C=C1	REAL300020224134	0	40	-1.0	-51.27	331.09	4.31	-46.96
CN1C(CN2CCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=C(Cl)C=C1	REAL300020224134	1	40	-1.0	-51.28	331.16	4.33	-46.95
CN1C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=C(Cl)C=C1	REAL300020224134	1	41	0.0	-53.61	344.74	7.58	-46.03
CN1C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=C(Cl)C=C1	REAL300020224134	1	41	0.0	-51.22	337.97	7.36	-43.86
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(Br)=C1	REAL300020224135	0	36	0.0	-55.14	311.54	4.30	-50.84
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(Br)=C1	REAL300020224135	1	36	0.0	-53.27	313.88	3.94	-49.33
OC(CN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(Br)=C1	REAL300020224135	1	35	-1.0	-39.04	307.68	1.96	-37.08
OC(CN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(Br)=C1	REAL300020224135	1	35	-1.0	-39.04	307.76	1.97	-37.07
FC(F)(F)C1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224136	0	41	0.0	-50.33	317.21	6.92	-43.41
FC(F)(F)C1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224136	1	41	0.0	-52.67	316.77	6.92	-45.75
FC(F)(F)C1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224136	1	41	0.0	-50.31	317.13	6.91	-43.40
FC(F)(F)C1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224136	1	41	0.0	-52.65	316.69	6.90	-45.75
CN(C)S(=O)(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224137	0	43	0.0	-55.34	352.84	3.62	-51.72
CN(C)S(=O)(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224137	1	43	0.0	-56.58	353.34	3.54	-53.04
FC1=CC(Br)=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224138	0	36	0.0	-50.82	312.56	6.25	-44.57
FC1=CC(Br)=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224138	1	36	0.0	-51.76	315.04	5.98	-45.78
OC(COC1=CC(F)=CC(Br)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224139	0	40	0.0	-52.91	345.57	3.86	-49.05
OC(COC1=CC(F)=CC(Br)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224139	1	40	0.0	-53.39	343.71	3.99	-49.40
COCCOCCOC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224140	0	50	0.0	-50.78	397.72	5.44	-45.34
COCCOCCOC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224140	1	50	0.0	-51.52	396.63	5.36	-46.16
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1Cl	REAL300020224141	0	36	0.0	-48.94	304.31	4.17	-44.77
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1Cl	REAL300020224141	1	36	0.0	-49.76	305.99	3.88	-45.88
FC1=CC=CC=C1N1C=CC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224142	0	38	-1.0	-46.62	320.11	4.31	-42.31
FC1=CC=CC=C1N1C=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224142	1	39	0.0	-44.90	321.89	6.69	-38.21
FC1=CC=CC=C1N1C=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224142	1	39	0.0	-49.22	321.16	7.05	-42.17
FC1=CC=CC=C1N1C=CC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224142	1	38	-1.0	-46.62	320.18	4.33	-42.29
O=[N+]([O-])C1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020224143	0	33	-1.0	-41.51	302.95	4.63	-36.88
O=[N+]([O-])C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224143	1	33	-1.0	-41.50	303.02	4.63	-36.87
O=[N+]([O-])C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224143	1	34	0.0	-55.81	301.07	6.79	-49.02
O=[N+]([O-])C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224143	1	34	0.0	-57.44	303.84	6.83	-50.61
CCOCN(C(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=C(C)C=CC=C1CC	REAL300020224144	0	54	-1.0	-42.41	406.41	5.29	-37.12
CCOCN(C(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=C(C)C=CC=C1CC	REAL300020224144	1	54	-1.0	-42.44	406.47	5.30	-37.14
CCOCN(C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=C(C)C=CC=C1CC	REAL300020224144	1	55	0.0	-50.88	412.49	7.84	-43.04
CCOCN(C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=C(C)C=CC=C1CC	REAL300020224144	1	55	0.0	-52.60	412.44	7.84	-44.76
CN1C2=CC(Br)=CC=C2N=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224145	0	37	-1.0	-42.18	313.13	3.68	-38.50
CN1C2=CC(Br)=CC=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224145	1	38	0.0	-49.92	327.43	6.49	-43.43
CN1C2=CC(Br)=CC=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224145	1	38	0.0	-48.38	328.11	6.48	-41.90
CN1C2=CC(Br)=CC=C2N=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224145	1	37	-1.0	-42.19	313.21	3.70	-38.49
CC(C)(C)OC(=O)C1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224146	0	51	0.0	-48.63	389.37	8.61	-40.02
CC(C)(C)OC(=O)C1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224146	1	51	0.0	-52.73	394.86	8.66	-44.07
O=[N+]([O-])C1=CC=CC(Cl)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224147	0	33	-1.0	-48.01	286.53	4.28	-43.73
O=[N+]([O-])C1=CC=CC(Cl)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224147	1	34	0.0	-40.91	289.23	6.53	-34.38
O=[N+]([O-])C1=CC=CC(Cl)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224147	1	34	0.0	-40.83	287.40	6.58	-34.25
O=[N+]([O-])C1=CC=CC(Cl)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224147	1	33	-1.0	-48.06	286.59	4.30	-43.76
CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224148	0	46	0.0	-57.87	353.64	5.01	-52.86
CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224148	1	46	0.0	-57.01	352.55	4.84	-52.17
CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224148	1	46	0.0	-57.86	353.57	4.99	-52.87
CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224148	1	46	0.0	-57.02	352.49	4.82	-52.20
O=C(OCC1=CC=CC=C1)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224149	0	53	0.0	-54.89	408.71	8.56	-46.33
O=C(OCC1=CC=CC=C1)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224149	1	53	0.0	-55.47	408.71	8.55	-46.92
O=C(OCC1=CC=CC=C1)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224149	1	53	0.0	-54.85	408.64	8.55	-46.30
O=C(OCC1=CC=CC=C1)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224149	1	53	0.0	-55.46	408.64	8.55	-46.91
FC1=CC=CC=C1COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224150	0	45	0.0	-51.80	369.60	6.43	-45.37
FC1=CC=CC=C1COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224150	1	45	0.0	-52.04	367.96	6.35	-45.69
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=CC=C1C(F)(F)F	REAL300020224151	0	42	-1.0	-43.12	348.59	4.84	-38.28
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC=C1C(F)(F)F	REAL300020224151	1	42	-1.0	-43.12	348.66	4.85	-38.27
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC=C1C(F)(F)F	REAL300020224151	1	43	0.0	-47.17	350.82	7.21	-39.96
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=CC=C1C(F)(F)F	REAL300020224151	1	43	0.0	-59.70	351.08	7.22	-52.48
C[NH+](C)C(CNC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224152	0	50	0.0	-69.54	381.86	3.40	-66.14
C[NH+](C)C(CNC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224152	1	50	0.0	-69.56	381.92	3.42	-66.14
O=C1OC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CN1C1=CC=CC=C1	REAL300020224153	0	41	0.0	-56.91	326.21	5.75	-51.16
O=C1OC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CN1C1=CC=CC=C1	REAL300020224153	1	41	0.0	-59.50	326.86	5.83	-53.67
CC(C)OC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224154	0	42	0.0	-51.76	343.19	6.93	-44.83
CC(C)OC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224154	1	42	0.0	-51.77	343.41	6.96	-44.81
ClC1=CC=CC=C1C1=CSC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224155	0	38	0.0	-43.48	334.85	7.30	-36.18
ClC1=CC=CC=C1C1=CSC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224155	1	38	0.0	-48.59	333.64	7.25	-41.34
ClC1=CC=CC=C1C1=CSC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224155	1	37	-1.0	-40.86	336.64	4.66	-36.20
ClC1=CC=CC=C1C1=CSC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224155	1	37	-1.0	-40.84	336.71	4.66	-36.18
O=[N+]([O-])C1=CC=C2NC(CN3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020224156	0	36	-1.0	-44.95	304.38	2.03	-42.92
O=[N+]([O-])C1=CC=C2NC(CN3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224156	1	36	-1.0	-44.92	304.44	2.04	-42.88
O=[N+]([O-])C1=CC=C2NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224156	1	37	0.0	-63.08	314.09	4.92	-58.16
O=[N+]([O-])C1=CC=C2NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224156	1	37	0.0	-56.75	313.49	4.97	-51.78
FC1=C(F)C=C2NC(CN3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020224157	0	34	-1.0	-38.08	296.15	1.85	-36.23
FC1=C(F)C=C2NC(CN3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224157	1	34	-1.0	-38.09	296.22	1.86	-36.23
FC1=C(F)C=C2NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224157	1	35	0.0	-53.11	299.08	4.42	-48.69
FC1=C(F)C=C2NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224157	1	35	0.0	-52.83	298.20	4.42	-48.41
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224158	0	49	0.0	-56.62	369.53	5.77	-50.85
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224158	1	49	0.0	-52.94	369.02	5.75	-47.19
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224158	1	49	0.0	-56.62	369.46	5.77	-50.85
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224158	1	49	0.0	-52.97	368.95	5.74	-47.23
CC(C)(C)OC(=O)N1CCCC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224159	0	55	0.0	-52.63	404.32	7.22	-45.41
CC(C)(C)OC(=O)N1CCCC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224159	1	55	0.0	-51.74	403.82	7.26	-44.48
CC(C)(C)OC(=O)N1CCCC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224159	1	55	0.0	-52.55	404.25	7.21	-45.34
CC(C)(C)OC(=O)N1CCCC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224159	1	55	0.0	-51.75	403.75	7.25	-44.50
CC(C1=NC=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224160	0	32	-1.0	-40.10	286.73	1.40	-38.70
CC(C1=NC=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224160	1	32	-1.0	-40.13	286.80	1.42	-38.71
COC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020224161	0	39	0.0	-47.09	324.52	5.93	-41.16
COC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020224161	1	39	0.0	-48.58	321.92	6.18	-42.40
ClC1=CC=C(OCC2CC2)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224162	0	43	0.0	-44.94	357.71	8.11	-36.83
ClC1=CC=C(OCC2CC2)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224162	1	43	0.0	-43.92	357.67	7.99	-35.93
ClC1=CC=C(OCC2CC2)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224162	1	42	-1.0	-39.26	347.77	5.80	-33.46
ClC1=CC=C(OCC2CC2)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224162	1	42	-1.0	-39.27	347.84	5.80	-33.47
O=C1C2=CC=CC=C2C(=O)N1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224163	0	39	0.0	-49.35	324.75	5.22	-44.13
O=C1C2=CC=CC=C2C(=O)N1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224163	1	39	0.0	-47.83	324.81	5.17	-42.66
O=C1C2=CC=CC=C2C(=O)N1CCN1CCC(C2=N[N-]N=N2)C1	REAL300020224163	1	38	-1.0	-46.50	321.75	2.70	-43.80
O=C1C2=CC=CC=C2C(=O)N1CCN1CCC(C2=NN=N[N-]2)C1	REAL300020224163	1	38	-1.0	-46.46	321.83	2.70	-43.76
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020224164	0	41	0.0	-54.35	336.13	5.55	-48.80
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020224164	1	41	0.0	-57.65	336.88	5.68	-51.97
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020224164	1	41	0.0	-54.30	336.06	5.55	-48.75
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020224164	1	41	0.0	-57.63	336.81	5.68	-51.95
CC(C)(C)OC(=O)NCC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020224165	0	46	-1.0	-40.36	375.12	-1.72	-42.08
CC(C)(C)OC(=O)NCC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020224165	1	46	-1.0	-40.32	375.19	-1.70	-42.02
CC(C)(COCC1=CC=CC=C1)NC(=O)NCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224166	0	57	0.0	-54.47	443.49	4.86	-49.61
CC(C)(COCC1=CC=CC=C1)NC(=O)NCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224166	1	57	0.0	-55.19	443.64	4.96	-50.23
CC(C)(C)OC(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224167	0	47	0.0	-48.03	367.77	8.26	-39.77
CC(C)(C)OC(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224167	1	47	0.0	-48.69	365.13	8.26	-40.43
ClC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC=C1I	REAL300020224168	0	31	-1.0	-39.47	288.91	4.16	-35.31
ClC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC=C1I	REAL300020224168	1	31	-1.0	-39.46	288.98	4.17	-35.29
ClC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1I	REAL300020224168	1	32	0.0	-52.40	300.09	7.07	-45.33
ClC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1I	REAL300020224168	1	32	0.0	-52.41	300.21	7.09	-45.32
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CN=CC=N2)CC1	REAL300020224169	0	46	0.0	-51.63	356.12	2.80	-48.83
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CN=CC=N2)CC1	REAL300020224169	1	46	0.0	-51.87	356.20	2.80	-49.07
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCN(C2=CN=CC=N2)CC1	REAL300020224169	1	45	-1.0	-47.65	353.27	0.44	-47.21
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCN(C2=CN=CC=N2)CC1	REAL300020224169	1	45	-1.0	-47.66	353.34	0.44	-47.22
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224170	0	48	0.0	-49.71	393.56	8.52	-41.19
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224170	1	48	0.0	-48.10	392.77	8.49	-39.61
C1=CC=C(CN2CCCOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224171	0	51	0.0	-48.26	378.23	5.66	-42.60
C1=CC=C(CN2CCCOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224171	1	51	0.0	-45.92	381.10	6.44	-39.48
C1=CC=C(C[N@@H+]2CCCOC(CN3CCC(C4=N[N-]N=N4)C3)C2)C=C1	REAL300020224171	1	51	0.0	-64.60	377.75	5.48	-59.12
C1=CC=C(C[N@H+]2CCCOC(CN3CCC(C4=N[N-]N=N4)C3)C2)C=C1	REAL300020224171	1	51	0.0	-59.65	374.68	5.79	-53.86
C1=CC=C(C[N@@H+]2CCCOC(CN3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224171	1	51	0.0	-64.61	377.81	5.49	-59.12
C1=CC=C(C[N@H+]2CCCOC(CN3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224171	1	51	0.0	-59.66	374.75	5.80	-53.86
CN(CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020224172	0	48	0.0	-49.05	366.99	5.75	-43.30
CN(CCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020224172	1	48	0.0	-49.87	365.66	5.77	-44.10
CN(CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020224172	1	48	0.0	-49.03	366.92	5.73	-43.30
CN(CCC[N@H+]1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020224172	1	48	0.0	-49.81	365.59	5.76	-44.05
COC(=O)C(C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224173	0	37	-1.0	-44.44	315.15	4.29	-40.15
COC(=O)C(C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224173	1	37	-1.0	-44.43	315.21	4.30	-40.13
ClC1=CC=CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224174	0	35	0.0	-50.05	309.60	7.33	-42.72
ClC1=CC=CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224174	1	35	0.0	-49.94	307.80	7.22	-42.72
COC(=O)C1=CC=C(F)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224175	0	38	0.0	-47.57	318.93	6.35	-41.22
COC(=O)C1=CC=C(F)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224175	1	38	0.0	-46.90	311.51	6.02	-40.88
COC(=O)C1=CC=C(F)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224175	1	37	-1.0	-40.43	305.35	3.22	-37.21
COC(=O)C1=CC=C(F)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224175	1	37	-1.0	-40.40	305.42	3.24	-37.16
FC1=CC=CC(CC2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020224176	0	39	-1.0	-41.28	335.90	2.57	-38.71
FC1=CC=CC(CC2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020224176	1	39	-1.0	-41.31	335.97	2.58	-38.73
CC1=NN(CCS(C)(=O)=O)C(C)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224177	0	47	0.0	-55.82	380.38	2.48	-53.34
CC1=NN(CCS(C)(=O)=O)C(C)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224177	1	47	0.0	-57.40	380.15	2.49	-54.91
C1=CC=C(COC2=CN=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224178	0	45	0.0	-49.63	364.78	7.02	-42.61
C1=CC=C(COC2=CN=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224178	1	45	0.0	-50.93	362.45	6.97	-43.96
C1=C(C2CCCCC2)N=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224179	0	43	-1.0	-38.20	344.08	4.16	-34.04
C1=C(C2CCCCC2)N=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224179	1	44	0.0	-42.37	347.18	6.55	-35.82
C1=C(C2CCCCC2)N=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224179	1	44	0.0	-42.72	344.14	6.48	-36.24
C1=C(C2CCCCC2)N=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224179	1	43	-1.0	-38.23	344.15	4.16	-34.07
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC(Cl)=C([O-])C=C2O1	REAL300020224180	0	37	-1.0	-84.44	326.92	5.41	-79.03
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC(Cl)=C([O-])C=C2O1	REAL300020224180	1	37	-1.0	-84.81	327.21	5.46	-79.35
O=C1C=C(CN2CCC(C3=NN=N[N-]3)C2)C2=CC(Cl)=C([O-])C=C2O1	REAL300020224180	1	36	-2.0	-83.49	323.86	3.06	-80.43
C1=CC(C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=CS1	REAL300020224181	0	39	0.0	-48.16	321.67	7.93	-40.23
C1=CC(C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=CS1	REAL300020224181	1	39	0.0	-48.26	321.73	7.94	-40.32
ClC1=CC(I)=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224182	0	31	-1.0	-39.08	298.65	4.87	-34.21
ClC1=CC(I)=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224182	1	31	-1.0	-39.12	298.72	4.87	-34.25
O=[N+]([O-])C1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020224183	0	33	-1.0	-41.07	299.91	4.12	-36.95
O=[N+]([O-])C1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020224183	1	33	-1.0	-41.06	299.98	4.14	-36.92
O=[N+]([O-])C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020224183	1	34	0.0	-57.55	302.87	6.68	-50.87
O=[N+]([O-])C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020224183	1	34	0.0	-60.34	300.56	6.67	-53.67
FC1=CC=C(Br)C(F)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224184	0	31	-1.0	-38.35	274.94	3.17	-35.18
FC1=CC=C(Br)C(F)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224184	1	31	-1.0	-38.36	275.01	3.19	-35.17
BrC1=CN=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224185	0	27	-1.0	-37.63	261.71	0.91	-36.72
BrC1=CN=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224185	1	27	-1.0	-37.65	261.77	0.92	-36.73
NS(=O)(=O)C1=CC(Cl)=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224186	0	36	-1.0	-47.63	326.44	-1.43	-49.06
NS(=O)(=O)C1=CC(Cl)=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224186	1	36	-1.0	-47.64	326.50	-1.43	-49.07
NS(=O)(=O)C1=CC(Cl)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224186	1	37	0.0	-57.47	328.84	1.00	-56.47
NS(=O)(=O)C1=CC(Cl)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224186	1	37	0.0	-56.02	326.39	1.00	-55.02
ClC1=CC(Cl)=CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224187	0	35	0.0	-52.80	313.72	7.40	-45.40
ClC1=CC(Cl)=CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224187	1	35	0.0	-53.50	314.16	7.50	-46.00
O=S(=O)(CCN1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020224188	0	37	-1.0	-44.60	322.79	1.11	-43.49
O=S(=O)(CCN1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020224188	1	37	-1.0	-44.61	322.87	1.13	-43.48
ClC1=CC(Cl)=CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224189	0	35	0.0	-52.80	313.72	7.40	-45.40
ClC1=CC(Cl)=CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224189	1	35	0.0	-53.50	314.16	7.50	-46.00
COC1=CC([N+](=O)[O-])=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224190	0	38	0.0	-52.11	308.36	5.78	-46.33
COC1=CC([N+](=O)[O-])=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224190	1	38	0.0	-56.05	315.61	5.65	-50.40
COC1=CC([N+](=O)[O-])=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224190	1	37	-1.0	-40.35	305.81	3.45	-36.90
C1=C(C2=CC=CC=C2)N=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224191	0	38	0.0	-44.83	322.70	6.43	-38.40
C1=C(C2=CC=CC=C2)N=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224191	1	38	0.0	-45.01	319.67	6.36	-38.65
C1=C(C2=CC=CC=C2)N=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224191	1	37	-1.0	-44.05	311.72	3.73	-40.32
C1=C(C2=CC=CC=C2)N=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224191	1	37	-1.0	-44.09	311.80	3.74	-40.35
CC1=CC(C)=C(N2CCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)C(C)=C1	REAL300020224192	0	48	-1.0	-42.14	375.97	6.55	-35.59
CC1=CC(C)=C(N2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C(C)=C1	REAL300020224192	1	49	0.0	-56.29	379.17	8.84	-47.45
CC1=CC(C)=C(N2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C(C)=C1	REAL300020224192	1	49	0.0	-57.88	378.91	8.93	-48.95
CC1=CC(C)=C(N2CCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)C(C)=C1	REAL300020224192	1	48	-1.0	-42.10	376.05	6.56	-35.54
CCOC(=O)C(C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224193	0	40	-1.0	-38.41	334.40	4.76	-33.65
CCOC(=O)C(C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224193	1	40	-1.0	-38.41	334.47	4.77	-33.64
C(C1=NN=NN1CC1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224194	0	43	-1.0	-42.11	329.54	2.99	-39.12
C(C1=NN=NN1CC1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224194	1	43	-1.0	-42.14	329.61	3.00	-39.14
O=S(=O)(CCN1CCC(C2=N[N-]N=N2)C1)CC1=CC=CC=C1	REAL300020224195	0	40	-1.0	-50.19	339.43	1.41	-48.78
O=S(=O)(CCN1CCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300020224195	1	40	-1.0	-50.13	339.49	1.42	-48.71
ClC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(N2C=NC=N2)=C1	REAL300020224196	0	38	0.0	-43.39	320.64	9.46	-33.93
ClC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(N2C=NC=N2)=C1	REAL300020224196	1	38	0.0	-43.02	318.07	9.27	-33.75
CC(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020224197	0	45	0.0	-47.62	355.73	7.29	-40.33
CC(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020224197	1	45	0.0	-47.76	355.06	7.22	-40.54
CC(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020224197	1	45	0.0	-47.58	355.66	7.29	-40.29
CC(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020224197	1	45	0.0	-47.74	355.00	7.20	-40.54
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=C(Cl)C=C1Cl	REAL300020224198	0	39	-1.0	-40.17	350.17	4.98	-35.19
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C=C1Cl	REAL300020224198	1	39	-1.0	-40.14	350.24	4.99	-35.15
COC(=O)C(C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224199	0	37	-1.0	-46.23	328.84	4.43	-41.80
COC(=O)C(C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224199	1	37	-1.0	-46.26	328.91	4.45	-41.81
FC1=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020224200	0	36	0.0	-51.94	307.45	6.13	-45.81
FC1=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020224200	1	36	0.0	-49.97	310.36	5.87	-44.10
OC(CC1=CC2=CC=CC=C2C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224201	0	45	0.0	-52.22	354.53	6.45	-45.77
OC(CC1=CC2=CC=CC=C2C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224201	1	45	0.0	-50.25	357.16	6.21	-44.04
C1=CSC(C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020224202	0	39	0.0	-48.70	323.47	8.13	-40.57
C1=CSC(C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020224202	1	39	0.0	-47.79	324.38	8.20	-39.59
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224203	0	38	0.0	-54.38	316.52	6.32	-48.06
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224203	1	38	0.0	-56.16	319.53	6.32	-49.84
COC(=O)C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224203	1	37	-1.0	-40.20	309.88	3.72	-36.48
CCS(=O)(=O)CCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224204	0	43	0.0	-57.07	348.15	3.34	-53.73
CCS(=O)(=O)CCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224204	1	43	0.0	-57.60	348.87	3.47	-54.13
CCS(=O)(=O)CCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224204	1	43	0.0	-57.06	348.08	3.33	-53.73
CCS(=O)(=O)CCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224204	1	43	0.0	-57.54	348.80	3.46	-54.08
CC(C)(C)[Si](C)(C)OCC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224205	0	57	0.0	-47.23	439.25	11.08	-36.15
CC(C)(C)[Si](C)(C)OCC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224205	1	57	0.0	-47.14	439.72	11.00	-36.14
CN(C)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224206	0	47	0.0	-53.16	364.24	4.99	-48.17
CN(C)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224206	1	47	0.0	-58.40	367.05	5.14	-53.26
CN(C)C1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224206	1	47	0.0	-53.14	364.18	4.98	-48.16
CN(C)C1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224206	1	47	0.0	-58.32	366.98	5.14	-53.18
CCOC(=O)C(C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224207	0	40	-1.0	-47.55	327.31	5.11	-42.44
CCOC(=O)C(C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224207	1	40	-1.0	-47.56	327.38	5.13	-42.43
FC1=CC=C(N2C=CC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C(F)=C1	REAL300020224208	0	38	-1.0	-38.84	325.52	4.22	-34.62
FC1=CC=C(N2C=CC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C(F)=C1	REAL300020224208	1	38	-1.0	-38.84	325.59	4.23	-34.61
FC1=CC=C(N2C=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C(F)=C1	REAL300020224208	1	39	0.0	-46.98	329.31	6.93	-40.05
FC1=CC=C(N2C=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C(F)=C1	REAL300020224208	1	39	0.0	-50.01	329.34	7.06	-42.95
COC(=O)C(CNC(=O)OC(C)(C)C)N1CCC(C2=N[N-]N=N2)C1	REAL300020224209	0	47	-1.0	-42.23	365.41	0.67	-41.56
COC(=O)C(CNC(=O)OC(C)(C)C)N1CCC(C2=NN=N[N-]2)C1	REAL300020224209	1	47	-1.0	-42.22	365.48	0.69	-41.53
CCOC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020224210	0	41	0.0	-63.57	335.29	7.19	-56.38
CCOC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020224210	1	41	0.0	-61.85	332.81	7.20	-54.65
COC1=CC=CC(OC)=C1OCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224211	0	50	0.0	-50.42	393.88	6.59	-43.83
COC1=CC=CC(OC)=C1OCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224211	1	50	0.0	-52.05	394.31	6.62	-45.43
COC1=CC=CC(OC)=C1OCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224211	1	50	0.0	-50.37	393.81	6.59	-43.78
COC1=CC=CC(OC)=C1OCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224211	1	50	0.0	-52.00	394.25	6.60	-45.40
CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCC(C2=N[N-]N=N2)C1	REAL300020224212	0	45	-1.0	-54.61	367.79	0.64	-53.97
CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCC(C2=NN=N[N-]2)C1	REAL300020224212	1	45	-1.0	-54.58	367.86	0.65	-53.93
CS(=O)(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224213	0	38	0.0	-56.19	317.96	3.14	-53.05
CS(=O)(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224213	1	38	0.0	-57.57	318.44	3.06	-54.51
CS(=O)(=O)C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224213	1	37	-1.0	-47.20	315.09	0.72	-46.48
C1=CC=C(CSC2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224214	0	46	0.0	-47.32	380.00	10.45	-36.87
C1=CC=C(CSC2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224214	1	46	0.0	-46.48	377.06	10.45	-36.03
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCOC2=CC=CC=C21	REAL300020224215	0	44	0.0	-56.43	341.98	5.47	-50.96
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCOC2=CC=CC=C21	REAL300020224215	1	44	0.0	-62.20	342.23	5.52	-56.68
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCOC2=CC=CC=C21	REAL300020224215	1	44	0.0	-56.39	341.91	5.46	-50.93
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCOC2=CC=CC=C21	REAL300020224215	1	44	0.0	-62.16	342.16	5.51	-56.65
CC1=CC(C)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(OCC2=CC=CC=C2)=N1	REAL300020224216	0	51	0.0	-44.59	400.81	7.71	-36.88
CC1=CC(C)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(OCC2=CC=CC=C2)=N1	REAL300020224216	1	51	0.0	-45.43	399.98	7.70	-37.73
BrC1=CC=C2OC(CN3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020224217	0	33	-1.0	-44.26	293.83	0.84	-43.42
BrC1=CC=C2OC(CN3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224217	1	33	-1.0	-44.27	293.90	0.86	-43.41
BrC1=NC=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224218	0	27	-1.0	-36.20	262.58	0.83	-35.37
BrC1=NC=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224218	1	27	-1.0	-36.17	262.65	0.85	-35.32
O=C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC2=CC=CC=C21	REAL300020224219	0	46	0.0	-54.22	350.05	7.19	-47.03
O=C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCCC2=CC=CC=C21	REAL300020224219	1	46	0.0	-54.12	350.53	7.32	-46.80
O=C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)N1CCCC2=CC=CC=C21	REAL300020224219	1	46	0.0	-54.24	349.98	7.19	-47.05
O=C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)N1CCCC2=CC=CC=C21	REAL300020224219	1	46	0.0	-54.11	350.47	7.31	-46.80
C1=CC=C(N2CCN(CCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224220	0	52	0.0	-49.66	385.25	5.06	-44.60
C1=CC=C(N2CCN(CCC[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224220	1	52	0.0	-49.92	385.38	5.24	-44.68
CC1=CC=C(C2=CSC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224221	0	41	0.0	-46.87	344.43	7.08	-39.79
CC1=CC=C(C2=CSC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224221	1	41	0.0	-45.36	343.30	7.11	-38.25
CC1=CC=C(C2=CSC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020224221	1	40	-1.0	-41.11	341.54	4.50	-36.61
CC1=CC=C(C2=CSC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224221	1	40	-1.0	-41.11	341.61	4.51	-36.60
FC1(F)OC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020224222	0	35	0.0	-55.78	295.80	4.62	-51.16
FC1(F)OC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020224222	1	35	0.0	-53.96	295.03	4.65	-49.31
CC1=C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(=O)N2C=CSC2=N1	REAL300020224223	0	40	0.0	-50.80	332.83	6.01	-44.79
CC1=C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(=O)N2C=CSC2=N1	REAL300020224223	1	40	0.0	-53.24	332.85	5.98	-47.26
CC1=C(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C(=O)N2C=CSC2=N1	REAL300020224223	1	40	0.0	-50.76	332.76	5.99	-44.77
CC1=C(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C(=O)N2C=CSC2=N1	REAL300020224223	1	40	0.0	-53.22	332.78	5.97	-47.25
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1C2=CC=CC=C2CCC2=CC=CC=C21	REAL300020224224	0	49	-1.0	-47.08	381.21	7.56	-39.52
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1C2=CC=CC=C2CCC2=CC=CC=C21	REAL300020224224	1	49	-1.0	-47.07	381.28	7.57	-39.50
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1C2=CC=CC=C2CCC2=CC=CC=C21	REAL300020224224	1	50	0.0	-45.05	387.75	10.29	-34.76
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1C2=CC=CC=C2CCC2=CC=CC=C21	REAL300020224224	1	50	0.0	-42.87	386.48	10.19	-32.68
O=C(C1=CC=CC=C1)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224225	0	46	0.0	-57.21	346.84	6.25	-50.96
O=C(C1=CC=CC=C1)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224225	1	46	0.0	-57.33	346.90	6.25	-51.08
O=C(C1=CC=CC=C1)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224225	1	46	0.0	-57.20	346.77	6.25	-50.95
O=C(C1=CC=CC=C1)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224225	1	46	0.0	-57.33	346.83	6.25	-51.08
O=[N+]([O-])C1=CC(F)=C(CN2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020224226	0	33	-1.0	-39.21	289.13	3.53	-35.68
O=[N+]([O-])C1=CC(F)=C(CN2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224226	1	33	-1.0	-39.26	289.19	3.54	-35.72
FC(F)(F)CN1N=NC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224227	0	32	-1.0	-41.12	289.98	0.02	-41.10
FC(F)(F)CN1N=NC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224227	1	32	-1.0	-41.15	290.04	0.03	-41.12
COC1=CC=C(Br)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224228	0	36	0.0	-44.06	304.60	5.50	-38.56
COC1=CC=C(Br)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224228	1	36	0.0	-41.09	304.54	5.52	-35.57
COC1=CC=C(Br)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224228	1	35	-1.0	-39.49	289.71	2.22	-37.27
COC1=CC=C(Br)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224228	1	35	-1.0	-39.53	289.78	2.24	-37.29
O=[N+]([O-])C1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020224229	0	35	-1.0	-48.39	305.31	5.24	-43.15
O=[N+]([O-])C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020224229	1	36	0.0	-56.13	306.74	7.02	-49.11
O=[N+]([O-])C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020224229	1	36	0.0	-56.58	307.56	6.99	-49.59
O=[N+]([O-])C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020224229	1	35	-1.0	-48.39	305.38	5.25	-43.14
CC(C)(C)OC(=O)NCCOCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224230	0	49	0.0	-49.00	377.54	2.82	-46.18
CC(C)(C)OC(=O)NCCOCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224230	1	49	0.0	-50.63	380.23	2.67	-47.96
FC1=C(F)C(F)=C(CN2CCC(C3=N[N-]N=N3)C2)C(F)=C1F	REAL300020224231	0	31	-1.0	-37.21	273.43	2.60	-34.61
FC1=C(F)C(F)=C(CN2CCC(C3=NN=N[N-]3)C2)C(F)=C1F	REAL300020224231	1	31	-1.0	-37.23	273.49	2.62	-34.61
CN(CC(C)(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020224232	0	52	0.0	-47.69	381.17	3.91	-43.78
CN(CC(C)(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020224232	1	52	0.0	-52.63	382.08	3.53	-49.10
C1=CC=C(N2CCOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224233	0	45	0.0	-47.50	341.17	4.62	-42.88
C1=CC=C(N2CCOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020224233	1	45	0.0	-46.31	345.15	4.81	-41.50
C1=C(CN2CCC(C3=N[N-]N=N3)C2)N=C(CCC2=CC=CC=C2)S1	REAL300020224234	0	43	-1.0	-39.23	365.94	5.31	-33.92
C1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(CCC2=CC=CC=C2)S1	REAL300020224234	1	43	-1.0	-39.21	366.01	5.32	-33.89
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(CCC2=CC=CC=C2)S1	REAL300020224234	1	44	0.0	-46.61	367.27	7.86	-38.75
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(CCC2=CC=CC=C2)S1	REAL300020224234	1	44	0.0	-46.05	368.77	8.04	-38.01
CC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224235	0	35	0.0	-46.05	295.67	6.83	-39.22
CC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224235	1	35	0.0	-45.07	295.59	6.88	-38.19
O=C1C2=CC=CC=C2C(=O)N1OCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224236	0	43	0.0	-54.97	361.05	6.45	-48.52
O=C1C2=CC=CC=C2C(=O)N1OCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224236	1	43	0.0	-53.57	360.38	6.36	-47.21
O=C1C2=CC=CC=C2C(=O)N1OCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224236	1	43	0.0	-54.95	360.97	6.43	-48.52
O=C1C2=CC=CC=C2C(=O)N1OCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224236	1	43	0.0	-53.49	360.32	6.35	-47.14
CC(C)(C)OC(=O)NCCCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224237	0	57	0.0	-49.89	432.56	6.23	-43.66
CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224237	1	57	0.0	-51.91	433.29	6.36	-45.55
CC(C)(C)OC(=O)NCCCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224237	1	57	0.0	-49.86	432.49	6.23	-43.63
CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224237	1	57	0.0	-51.86	433.21	6.36	-45.50
ClC1=CC=C(CCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224238	0	41	0.0	-49.53	354.92	8.90	-40.63
ClC1=CC=C(CCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224238	1	41	0.0	-51.51	354.80	8.94	-42.57
ClC1=CC=C(CCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020224238	1	41	0.0	-49.48	354.85	8.90	-40.58
ClC1=CC=C(CCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020224238	1	41	0.0	-51.50	354.73	8.94	-42.56
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224239	0	38	0.0	-51.84	327.57	6.78	-45.06
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224239	1	38	0.0	-54.42	330.34	6.82	-47.60
COC(=O)C1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020224239	1	37	-1.0	-41.31	329.46	4.60	-36.71
COC(=O)C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224239	1	37	-1.0	-41.34	329.54	4.61	-36.73
COC1=CC=C(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)N=N1	REAL300020224240	0	38	-1.0	-50.22	323.80	-3.05	-53.27
COC1=CC=C(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)N=N1	REAL300020224240	1	38	-1.0	-50.24	323.87	-3.03	-53.27
CC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCCCC1	REAL300020224241	0	50	0.0	-44.84	375.83	8.25	-36.59
CC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCCCC1	REAL300020224241	1	50	0.0	-45.43	374.36	8.29	-37.14
COC1CCN(C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020224242	0	51	0.0	-47.02	382.84	5.91	-41.11
COC1CCN(C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020224242	1	51	0.0	-47.54	383.31	5.81	-41.73
CC(C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)(F)F	REAL300020224243	0	41	0.0	-47.17	332.29	7.81	-39.36
CC(C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1)C(F)(F)F	REAL300020224243	1	41	0.0	-48.55	331.17	7.73	-40.82
CS(=O)(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224244	0	38	0.0	-58.03	318.77	3.07	-54.96
CS(=O)(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224244	1	38	0.0	-53.85	316.08	3.06	-50.79
CS(=O)(=O)C1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224244	1	37	-1.0	-41.57	307.46	0.15	-41.42
CS(=O)(=O)C1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224244	1	37	-1.0	-41.60	307.54	0.16	-41.44
CC1=CC=NC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020224245	0	38	-1.0	-51.69	317.98	0.45	-51.24
CC1=CC=NC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020224245	1	38	-1.0	-51.71	318.05	0.46	-51.25
CN(C)S(=O)(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224246	0	43	0.0	-53.89	354.08	3.56	-50.33
CN(C)S(=O)(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224246	1	43	0.0	-52.64	351.01	3.54	-49.10
CN(C)S(=O)(=O)C1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224246	1	42	-1.0	-40.00	342.37	0.62	-39.38
CN(C)S(=O)(=O)C1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224246	1	42	-1.0	-40.00	342.44	0.64	-39.36
CCOC1=CC=CC(Cl)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224247	0	39	0.0	-38.16	319.04	6.38	-31.78
CCOC1=CC=CC(Cl)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224247	1	39	0.0	-38.36	317.60	6.54	-31.82
CCOC1=CC=CC(Cl)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224247	1	38	-1.0	-42.37	314.00	3.77	-38.60
CCOC1=CC=CC(Cl)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224247	1	38	-1.0	-42.36	314.06	3.78	-38.58
CC(C1=CC=C(OC2=CC=CC=C2)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224248	0	46	0.0	-50.57	363.92	9.13	-41.44
CC(C1=CC=C(OC2=CC=CC=C2)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224248	1	46	0.0	-49.30	362.64	9.12	-40.18
C[N@@H+](CC1=CC=CC=C1)CC(C[NH+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224249	0	57	1.0	-107.93	428.53	11.74	-96.19
C[N@H+](CC1=CC=CC=C1)CC(C[NH+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224249	1	57	1.0	-102.78	427.91	11.69	-91.09
C[NH+](CC1=CC=CC=C1)CC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224249	1	57	1.0	-106.06	419.55	11.16	-94.90
C[NH+](CC1=CC=CC=C1)CC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224249	1	57	1.0	-110.23	419.02	11.22	-99.01
CN(CC1=CC=CC=C1)CC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224249	1	56	0.0	-47.89	418.74	9.07	-38.82
CN(CC1=CC=CC=C1)CC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224249	1	56	0.0	-47.81	427.83	9.63	-38.18
C1=CN(CCC2=CC=CC=C2)N=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224250	0	44	-1.0	-41.89	355.17	5.01	-36.88
C1=CN(CCC2=CC=CC=C2)N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224250	1	45	0.0	-47.35	365.26	7.96	-39.39
C1=CN(CCC2=CC=CC=C2)N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224250	1	45	0.0	-43.71	365.07	7.97	-35.74
C1=CN(CCC2=CC=CC=C2)N=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224250	1	44	-1.0	-41.91	355.23	5.02	-36.89
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224251	0	57	0.0	-71.92	425.35	5.23	-66.69
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224251	1	57	0.0	-71.93	425.42	5.24	-66.69
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224251	1	58	1.0	-90.45	431.00	7.94	-82.51
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224251	1	58	1.0	-94.20	429.95	7.88	-86.32
CC(C)(C)C(=O)N1CCCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224252	0	51	0.0	-51.76	364.09	6.13	-45.63
CC(C)(C)C(=O)N1CCCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224252	1	51	0.0	-51.71	362.92	6.17	-45.54
CC(C)(C)C(=O)N1CCCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224252	1	51	0.0	-51.71	364.02	6.13	-45.58
CC(C)(C)C(=O)N1CCCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224252	1	51	0.0	-51.75	362.85	6.17	-45.58
N#CCC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224253	0	44	0.0	-55.85	362.35	4.15	-51.70
N#CCC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224253	1	44	0.0	-57.74	362.11	4.17	-53.57
BrC1=NN(CCN2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020224254	0	30	-1.0	-45.97	273.31	2.14	-43.83
BrC1=NN(CCN2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224254	1	30	-1.0	-45.97	273.38	2.15	-43.82
BrC1=NN(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224254	1	31	0.0	-61.17	277.95	4.79	-56.38
BrC1=NN(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224254	1	31	0.0	-61.12	276.95	4.83	-56.29
CC(C)OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224255	0	45	0.0	-46.06	348.35	7.21	-38.85
CC(C)OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224255	1	45	0.0	-46.73	346.16	7.58	-39.15
CC(C)OC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224255	1	45	0.0	-45.98	348.28	7.19	-38.79
CC(C)OC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224255	1	45	0.0	-46.69	346.08	7.57	-39.12
O=[N+]([O-])C1=CC=C(C(F)(F)F)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224256	0	36	-1.0	-42.38	301.82	3.93	-38.45
O=[N+]([O-])C1=CC=C(C(F)(F)F)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224256	1	37	0.0	-49.77	313.44	7.11	-42.66
O=[N+]([O-])C1=CC=C(C(F)(F)F)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224256	1	37	0.0	-47.46	312.48	7.23	-40.23
O=[N+]([O-])C1=CC=C(C(F)(F)F)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224256	1	36	-1.0	-42.42	301.84	3.94	-38.48
COCCC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224257	0	50	0.0	-51.68	394.00	3.78	-47.90
COCCC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224257	1	50	0.0	-52.79	396.43	3.51	-49.28
CC1CCN(CC2=CSC(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)=N2)CC1	REAL300020224258	0	52	-1.0	-43.86	410.15	1.94	-41.92
CC1CCN(CC2=CSC(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)=N2)CC1	REAL300020224258	1	52	-1.0	-43.94	410.22	1.96	-41.98
BrC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020224259	0	30	-1.0	-37.79	271.95	1.74	-36.05
BrC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020224259	1	30	-1.0	-37.79	272.02	1.76	-36.03
BrC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020224259	1	31	0.0	-52.16	274.55	4.29	-47.87
BrC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020224259	1	31	0.0	-52.13	274.58	4.32	-47.81
CC1=NC2=CC=CC=C2N1CCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224260	0	50	0.0	-57.10	392.02	9.34	-47.76
CC1=NC2=CC=CC=C2N1CCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224260	1	50	0.0	-55.91	392.01	9.30	-46.61
CC1=NC2=CC=CC=C2N1CCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224260	1	50	0.0	-57.09	391.95	9.34	-47.75
CC1=NC2=CC=CC=C2N1CCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224260	1	50	0.0	-55.84	391.94	9.29	-46.55
CC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1F	REAL300020224261	0	39	0.0	-45.77	318.94	4.94	-40.83
CC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1F	REAL300020224261	1	39	0.0	-45.84	318.98	4.92	-40.92
CC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1Cl	REAL300020224262	0	39	0.0	-44.72	324.10	5.19	-39.53
CC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1Cl	REAL300020224262	1	39	0.0	-44.84	324.18	5.17	-39.67
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020224263	0	39	0.0	-53.20	326.12	4.43	-48.77
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020224263	1	39	0.0	-53.99	321.60	4.68	-49.31
O[C@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020224264	0	39	0.0	-53.63	323.41	4.64	-48.99
O[C@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020224264	1	39	0.0	-53.42	325.22	4.34	-49.08
CC(C1=CC=C(F)C=C1)N1CCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224265	0	46	0.0	-49.03	359.51	7.57	-41.46
CC(C1=CC=C(F)C=C1)N1CCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224265	1	46	0.0	-58.86	359.58	7.47	-51.39
CC(C1=CC=C(F)C=C1)N1CCC(N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020224265	1	45	-1.0	-50.35	356.76	5.02	-45.33
CC(C1=CC=C(F)C=C1)N1CCC(N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224265	1	45	-1.0	-50.36	356.83	5.03	-45.33
CCS(=O)(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224266	0	41	0.0	-55.99	339.43	4.04	-51.95
CCS(=O)(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224266	1	41	0.0	-57.43	339.91	3.96	-53.47
CCS(=O)(=O)C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224266	1	40	-1.0	-46.43	336.56	1.61	-44.82
COC(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224267	0	38	0.0	-50.34	319.86	6.58	-43.76
COC(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224267	1	38	0.0	-47.51	320.02	6.59	-40.92
COC(=O)C1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020224267	1	37	-1.0	-42.49	322.13	4.11	-38.38
COC(=O)C1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224267	1	37	-1.0	-42.49	322.20	4.12	-38.37
CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224268	0	54	0.0	-50.48	411.05	5.46	-45.02
CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224268	1	54	0.0	-51.79	411.79	5.58	-46.21
CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224268	1	54	0.0	-50.44	410.99	5.46	-44.98
CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224268	1	54	0.0	-51.70	411.72	5.58	-46.12
CCOC(=O)C1=C(CN2CCC(C3=N[N-]N=N3)C2)NN=C1C	REAL300020224269	0	40	-1.0	-40.97	324.73	1.41	-39.56
CCOC(=O)C1=C(CN2CCC(C3=NN=N[N-]3)C2)NN=C1C	REAL300020224269	1	40	-1.0	-41.00	324.80	1.43	-39.57
ClC1=CC=CC(Cl)=C1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224270	0	35	0.0	-44.50	308.35	7.24	-37.26
ClC1=CC=CC(Cl)=C1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224270	1	35	0.0	-42.31	308.12	7.24	-35.07
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224271	0	38	0.0	-58.40	325.19	6.58	-51.82
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224271	1	38	0.0	-58.40	325.40	6.60	-51.80
CN(CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020224272	0	40	0.0	-51.45	318.95	0.62	-50.83
CN(CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020224272	1	40	0.0	-49.05	317.28	0.78	-48.27
CC(C(=O)N1CCN(C2=CC=CC=N2)CC1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224273	0	50	0.0	-45.18	377.87	4.95	-40.23
CC(C(=O)N1CCN(C2=CC=CC=N2)CC1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224273	1	50	0.0	-53.40	378.14	4.92	-48.48
CC(C(=O)N1CCN(C2=CC=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224273	1	49	-1.0	-52.84	365.85	2.22	-50.62
O=C1C2=CC=CC=C2C(=O)N1C[C@H](O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224274	0	43	0.0	-51.02	351.86	3.22	-47.80
O=C1C2=CC=CC=C2C(=O)N1C[C@H](O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224274	1	43	0.0	-50.63	354.65	2.87	-47.76
BrC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020224275	0	30	-1.0	-37.79	271.95	1.74	-36.05
BrC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020224275	1	30	-1.0	-37.79	272.02	1.76	-36.03
BrC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020224275	1	31	0.0	-52.16	274.55	4.29	-47.87
BrC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020224275	1	31	0.0	-52.13	274.58	4.32	-47.81
CC(C1=CC=C(Br)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224276	0	35	0.0	-49.15	294.86	6.82	-42.33
CC(C1=CC=C(Br)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224276	1	35	0.0	-45.85	295.69	6.93	-38.92
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224277	0	42	0.0	-49.93	329.63	5.63	-44.30
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224277	1	42	0.0	-50.48	326.03	5.87	-44.61
O[C@@H](C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224277	1	42	0.0	-49.89	329.55	5.62	-44.27
O[C@@H](C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224277	1	42	0.0	-50.42	325.96	5.87	-44.55
CCOC(=O)C1=CSC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224278	0	36	-1.0	-46.47	311.39	1.57	-44.90
CCOC(=O)C1=CSC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224278	1	36	-1.0	-46.47	311.47	1.59	-44.88
CN1C=C(Br)C(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224279	0	31	-1.0	-41.45	280.77	1.36	-40.09
CN1C=C(Br)C(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224279	1	31	-1.0	-41.44	280.84	1.38	-40.06
CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224280	0	35	0.0	-43.23	295.69	6.89	-36.34
CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224280	1	35	0.0	-44.95	297.03	6.82	-38.13
CC(C)(C)OC(=O)NCCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224281	0	49	0.0	-54.58	377.22	0.77	-53.81
CC(C)(C)OC(=O)NCCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224281	1	49	0.0	-53.55	378.05	0.79	-52.76
BrC1=CSC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224282	0	29	0.0	-45.67	267.25	5.13	-40.54
BrC1=CSC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224282	1	29	0.0	-41.06	265.80	5.15	-35.91
BrC1=CSC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224282	1	28	-1.0	-36.65	266.05	2.61	-34.04
BrC1=CSC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224282	1	28	-1.0	-36.62	266.13	2.62	-34.00
ClC1=CC=C(Br)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224283	0	31	-1.0	-37.44	276.95	3.44	-34.00
ClC1=CC=C(Br)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224283	1	32	0.0	-44.92	292.29	6.71	-38.21
ClC1=CC=C(Br)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224283	1	32	0.0	-41.89	292.03	6.73	-35.16
ClC1=CC=C(Br)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224283	1	31	-1.0	-37.50	277.03	3.45	-34.05
BrC1=CC=C2N=C(CN3CCC(C4=N[N-]N=N4)C3)OC2=C1	REAL300020224284	0	33	-1.0	-42.89	293.79	0.87	-42.02
BrC1=CC=C2N=C(CN3CCC(C4=NN=N[N-]4)C3)OC2=C1	REAL300020224284	1	33	-1.0	-42.91	293.86	0.89	-42.02
CCC1=NC(C(C)C)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224285	0	46	0.0	-49.42	346.01	6.88	-42.54
CCC1=NC(C(C)C)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224285	1	46	0.0	-46.03	346.74	6.91	-39.12
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224286	0	42	0.0	-49.93	329.63	5.63	-44.30
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224286	1	42	0.0	-50.48	326.03	5.87	-44.61
O[C@@H](C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224286	1	42	0.0	-49.89	329.55	5.62	-44.27
O[C@@H](C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020224286	1	42	0.0	-50.42	325.96	5.87	-44.55
OC(CC1=CC=CC(Cl)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224287	0	39	0.0	-51.87	325.18	4.70	-47.17
OC(CC1=CC=CC(Cl)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224287	1	39	0.0	-50.25	326.96	4.51	-45.74
CC(C)(C)OC(=O)NCC(C)(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224288	0	49	0.0	-50.23	365.52	1.22	-49.01
CC(C)(C)OC(=O)NCC(C)(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224288	1	49	0.0	-51.98	366.45	1.20	-50.78
N#CC1=CC=C(S(=O)(=O)CCN2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020224289	0	37	-1.0	-47.80	332.93	-0.59	-48.39
N#CC1=CC=C(S(=O)(=O)CCN2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020224289	1	37	-1.0	-47.84	333.00	-0.59	-48.43
CCOC(=O)C1=C(C)ON=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224290	0	39	-1.0	-40.72	321.75	2.38	-38.34
CCOC(=O)C1=C(C)ON=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224290	1	39	-1.0	-40.70	321.82	2.40	-38.30
COC(=O)[C@@H](NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020224291	0	43	-1.0	-39.63	340.96	1.29	-38.34
COC(=O)[C@@H](NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020224291	1	43	-1.0	-39.64	341.04	1.31	-38.33
O=[N+]([O-])C1=C(Cl)C=C(Cl)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224292	0	33	-1.0	-44.47	318.60	5.16	-39.31
O=[N+]([O-])C1=C(Cl)C=C(Cl)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224292	1	33	-1.0	-44.48	318.68	5.16	-39.32
O=[N+]([O-])C1=C(Cl)C=C(Cl)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224292	1	34	0.0	-46.00	317.85	7.56	-38.44
O=[N+]([O-])C1=C(Cl)C=C(Cl)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224292	1	34	0.0	-46.46	318.30	7.60	-38.86
ClC1=CC2=C(C=C1C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020224293	0	38	0.0	-46.18	315.31	5.28	-40.90
ClC1=CC2=C(C=C1C[N@H+]1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020224293	1	38	0.0	-43.57	314.00	5.23	-38.34
ClC1=CC2=C(C=C1CN1CCC(C3=N[N-]N=N3)C1)OCCO2	REAL300020224293	1	37	-1.0	-39.41	315.89	2.72	-36.69
ClC1=CC2=C(C=C1CN1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020224293	1	37	-1.0	-39.36	315.95	2.74	-36.62
CC1=CC=C(OC(F)F)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224294	0	39	0.0	-44.86	311.89	6.05	-38.81
CC1=CC=C(OC(F)F)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224294	1	39	0.0	-44.48	316.03	5.92	-38.56
FC1=CC(C(F)(F)F)=C(F)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224295	0	34	-1.0	-36.80	306.32	4.05	-32.75
FC1=CC(C(F)(F)F)=C(F)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224295	1	35	0.0	-53.34	308.55	6.76	-46.58
FC1=CC(C(F)(F)F)=C(F)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224295	1	35	0.0	-52.26	309.11	6.82	-45.44
FC1=CC(C(F)(F)F)=C(F)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224295	1	34	-1.0	-36.85	306.39	4.06	-32.79
ClC1=CC=C2C(=C1)C=CN2CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224296	0	39	0.0	-57.84	330.38	8.22	-49.62
ClC1=CC=C2C(=C1)C=CN2CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224296	1	39	0.0	-54.08	329.56	8.11	-45.97
ClC1=CC=C2C(=C1)C=CN2CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224296	1	39	0.0	-57.75	330.30	8.21	-49.54
ClC1=CC=C2C(=C1)C=CN2CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224296	1	39	0.0	-54.09	329.50	8.09	-46.00
N#CC1=CC(Br)=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224297	0	32	-1.0	-45.14	296.59	4.20	-40.94
N#CC1=CC(Br)=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224297	1	32	-1.0	-45.14	296.66	4.20	-40.94
CCN(CCOC)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224298	0	49	0.0	-43.72	381.78	6.47	-37.25
CCN(CCOC)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224298	1	49	0.0	-42.44	382.33	6.57	-35.87
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224299	0	58	0.0	-51.84	425.21	6.53	-45.31
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224299	1	58	0.0	-50.31	424.46	6.47	-43.84
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224299	1	58	0.0	-51.82	425.14	6.52	-45.30
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224299	1	58	0.0	-50.32	424.39	6.46	-43.86
ClC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020224300	0	31	-1.0	-39.97	282.85	3.69	-36.28
ClC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224300	1	31	-1.0	-39.97	282.92	3.71	-36.26
ClC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224300	1	32	0.0	-52.59	294.04	6.61	-45.98
ClC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224300	1	32	0.0	-52.66	294.15	6.63	-46.03
O=C1NC2=CC=CC=C2SC1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224301	0	41	0.0	-50.58	336.96	5.33	-45.25
O=C1NC2=CC=CC=C2SC1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224301	1	41	0.0	-50.92	336.41	5.35	-45.57
O=C1NC2=CC=CC=C2SC1CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224301	1	41	0.0	-50.59	336.89	5.32	-45.27
O=C1NC2=CC=CC=C2SC1CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224301	1	41	0.0	-50.88	336.34	5.33	-45.55
NC(=O)C(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224302	0	40	0.0	-50.75	313.95	1.16	-49.59
NC(=O)C(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224302	1	40	0.0	-65.01	313.86	1.06	-63.95
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)N1	REAL300020224303	0	41	0.0	-50.56	336.45	5.48	-45.08
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2)N1	REAL300020224303	1	41	0.0	-50.62	332.68	5.97	-44.65
ClC1=CC(Br)=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224304	0	31	-1.0	-38.68	293.49	4.23	-34.45
ClC1=CC(Br)=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224304	1	31	-1.0	-38.72	293.55	4.23	-34.49
ClC1=CC(Br)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224304	1	32	0.0	-48.11	296.49	6.68	-41.43
ClC1=CC(Br)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224304	1	32	0.0	-49.93	294.19	6.67	-43.26
CC1=CC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224305	0	35	0.0	-46.05	295.67	6.83	-39.22
CC1=CC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224305	1	35	0.0	-45.07	295.59	6.88	-38.19
CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224306	0	52	0.0	-55.14	391.02	6.42	-48.72
CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224306	1	52	0.0	-55.00	390.95	6.49	-48.51
CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224306	1	52	0.0	-55.10	390.95	6.41	-48.69
CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224306	1	52	0.0	-54.94	390.88	6.48	-48.46
C1=CC(C[NH+]2CCCCC2)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224307	0	51	1.0	-86.52	377.95	9.30	-77.22
C1=CC(C[NH+]2CCCCC2)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224307	1	51	1.0	-89.05	377.07	9.37	-79.68
C1=CC(C[NH+]2CCCCC2)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224308	0	51	1.0	-84.91	377.90	9.30	-75.61
C1=CC(C[NH+]2CCCCC2)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224308	1	51	1.0	-86.32	376.10	9.28	-77.04
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=C(F)C=C1	REAL300020224309	0	39	-1.0	-41.35	315.81	3.61	-37.74
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(F)C=C1	REAL300020224309	1	40	0.0	-48.99	318.71	5.96	-43.03
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(F)C=C1	REAL300020224309	1	40	0.0	-50.87	317.28	5.94	-44.93
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(F)C=C1	REAL300020224309	1	39	-1.0	-41.36	315.88	3.62	-37.74
O=C(C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1)C(F)(F)F	REAL300020224310	0	37	0.0	-52.24	317.31	6.37	-45.87
O=C(C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1)C(F)(F)F	REAL300020224310	1	37	0.0	-50.59	314.30	6.35	-44.24
CSC1=CC=C(OCC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224311	0	44	0.0	-51.44	360.29	3.99	-47.45
CSC1=CC=C(OCC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224311	1	44	0.0	-53.59	360.05	4.01	-49.58
FC1=CC(C2=NC=CO2)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224312	0	38	0.0	-52.11	319.48	4.20	-47.91
FC1=CC(C2=NC=CO2)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224312	1	38	0.0	-48.80	312.81	3.87	-44.93
ClC1=C(Br)C=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224313	0	31	-1.0	-37.57	290.83	4.11	-33.46
ClC1=C(Br)C=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224313	1	31	-1.0	-37.59	290.90	4.12	-33.47
ClC1=C(Br)C=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224313	1	32	0.0	-47.01	288.69	6.61	-40.40
ClC1=C(Br)C=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224313	1	32	0.0	-49.69	291.48	6.63	-43.06
ClC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=C(Cl)S1	REAL300020224314	0	28	-1.0	-35.29	280.10	3.20	-32.09
ClC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020224314	1	28	-1.0	-35.33	280.16	3.22	-32.11
ClC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020224314	1	29	0.0	-45.80	280.94	5.80	-40.00
ClC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020224314	1	29	0.0	-47.83	281.49	5.79	-42.04
FC(F)(F)COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224315	0	38	0.0	-52.67	325.54	3.67	-49.00
FC(F)(F)COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224315	1	38	0.0	-52.24	323.90	3.59	-48.65
O=[N+]([O-])C1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020224316	0	33	-1.0	-39.37	297.48	4.25	-35.12
O=[N+]([O-])C1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224316	1	33	-1.0	-39.39	297.55	4.27	-35.12
O=[N+]([O-])C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224316	1	34	0.0	-49.52	297.70	6.70	-42.82
O=[N+]([O-])C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224316	1	34	0.0	-57.74	297.43	6.67	-51.07
CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224317	0	35	0.0	-46.39	297.41	6.73	-39.66
CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224317	1	35	0.0	-46.43	297.58	6.75	-39.68
CC(C)(C)OC(=O)N1C2CCC1CC(O)(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)C2	REAL300020224318	0	57	0.0	-48.51	397.24	4.54	-43.97
CC(C)(C)OC(=O)N1C2CCC1CC(O)(C[N@H+]1CCC(C3=NN=N[N-]3)C1)C2	REAL300020224318	1	57	0.0	-49.79	397.09	4.52	-45.27
CC(C)(C)OC(=O)N1C2CCC1CC(O)(C[N@@H+]1CCC(C3=N[N-]N=N3)C1)C2	REAL300020224318	1	57	0.0	-48.51	397.17	4.54	-43.97
CC(C)(C)OC(=O)N1C2CCC1CC(O)(C[N@H+]1CCC(C3=N[N-]N=N3)C1)C2	REAL300020224318	1	57	0.0	-49.74	397.02	4.50	-45.24
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=C(F)C=CC=C1F	REAL300020224319	0	35	-1.0	-48.07	303.01	1.64	-46.43
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=C(F)C=CC=C1F	REAL300020224319	1	35	-1.0	-48.07	303.08	1.66	-46.41
COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224320	0	36	0.0	-46.14	302.32	5.42	-40.72
COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224320	1	36	0.0	-47.92	305.09	5.46	-42.46
COC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020224320	1	35	-1.0	-40.36	304.20	3.24	-37.12
COC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224320	1	35	-1.0	-40.37	304.27	3.25	-37.12
O=C1CCC2=CC(OCC(O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020224321	0	48	0.0	-57.12	377.52	2.36	-54.76
O=C1CCC2=CC(OCC(O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020224321	1	48	0.0	-57.88	375.85	2.49	-55.39
CCCCCCC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC	REAL300020224322	0	50	0.0	-46.72	385.57	5.65	-41.07
CCCCCCC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC	REAL300020224322	1	50	0.0	-47.96	379.77	5.31	-42.65
C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1CN1CCOCC1	REAL300020224323	0	48	0.0	-47.86	364.99	4.61	-43.25
C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1CN1CCOCC1	REAL300020224323	1	48	0.0	-47.84	365.04	4.61	-43.23
C1=CC(C[NH+]2CCOCC2)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224323	1	49	1.0	-89.16	368.53	6.97	-82.19
C1=CC(C[NH+]2CCOCC2)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224323	1	49	1.0	-87.71	369.00	6.90	-80.81
C1=CC(CN2CCOCC2)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224324	0	48	0.0	-46.83	367.46	4.65	-42.18
C1=CC(CN2CCOCC2)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224324	1	48	0.0	-46.95	364.25	4.64	-42.31
ClC1=CC=CC=C1C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020224325	0	38	0.0	-46.29	331.17	7.19	-39.10
ClC1=CC=CC=C1C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020224325	1	38	0.0	-47.67	330.42	7.25	-40.42
ClC1=CC=CC=C1C1=CC(CN2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020224325	1	37	-1.0	-41.46	321.17	4.42	-37.04
ClC1=CC=CC=C1C1=CC(CN2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020224325	1	37	-1.0	-41.45	321.24	4.43	-37.02
FC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020224326	0	31	-1.0	-40.86	273.73	3.28	-37.58
FC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224326	1	32	0.0	-53.72	284.91	6.19	-47.53
FC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224326	1	32	0.0	-53.73	285.04	6.21	-47.52
FC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224326	1	31	-1.0	-40.82	273.80	3.29	-37.53
CN(C)S(=O)(=O)C1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224327	0	39	-1.0	-44.78	343.79	0.40	-44.38
CN(C)S(=O)(=O)C1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224327	1	39	-1.0	-44.80	343.86	0.41	-44.39
CN(C)S(=O)(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224327	1	40	0.0	-52.60	347.50	2.71	-49.89
CN(C)S(=O)(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224327	1	40	0.0	-54.39	345.85	2.76	-51.63
CC(C)(C)OC(=O)N1CCC(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224328	0	56	0.0	-55.91	409.26	4.26	-51.65
CC(C)(C)OC(=O)N1CCC(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224328	1	56	0.0	-55.69	409.14	4.32	-51.37
CC(C)(C)OC(=O)N1CCC(C(O)C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224328	1	56	0.0	-55.90	409.19	4.26	-51.64
CC(C)(C)OC(=O)N1CCC(C(O)C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224328	1	56	0.0	-55.70	409.08	4.31	-51.39
CN(CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020224329	0	49	0.0	-49.35	375.25	2.59	-46.76
CN(CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020224329	1	49	0.0	-50.85	369.84	3.20	-47.65
C1=CC=C(C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)N=C1	REAL300020224330	0	40	0.0	-52.03	326.17	5.88	-46.15
C1=CC=C(C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)N=C1	REAL300020224330	1	40	0.0	-53.33	327.26	5.92	-47.41
O=[N+]([O-])C1=CC(Br)=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224331	0	33	-1.0	-46.19	298.37	5.19	-41.00
O=[N+]([O-])C1=CC(Br)=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224331	1	33	-1.0	-46.19	298.45	5.20	-40.99
O=[N+]([O-])C1=CC(Br)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224331	1	34	0.0	-45.63	300.43	6.89	-38.74
O=[N+]([O-])C1=CC(Br)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224331	1	34	0.0	-48.36	300.62	6.95	-41.41
CC(C)(C)OC(=O)N1CCCC(O)(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224332	0	56	0.0	-54.53	396.26	4.95	-49.58
CC(C)(C)OC(=O)N1CCCC(O)(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224332	1	56	0.0	-61.40	398.39	5.21	-56.19
CC(C)(C)OC(=O)N1CCCC(O)(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224332	1	56	0.0	-54.50	396.19	4.95	-49.55
CC(C)(C)OC(=O)N1CCCC(O)(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224332	1	56	0.0	-61.32	398.32	5.20	-56.12
CS(=O)(=O)C1=CC=C(CNC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224333	0	44	-1.0	-52.72	374.46	-0.75	-53.47
CS(=O)(=O)C1=CC=C(CNC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224333	1	44	-1.0	-52.73	374.53	-0.74	-53.47
O[C@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020224334	0	36	0.0	-48.13	314.82	4.59	-43.54
O[C@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020224334	1	36	0.0	-47.54	317.09	4.32	-43.22
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020224335	0	36	0.0	-47.71	316.83	4.35	-43.36
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1Cl	REAL300020224335	1	36	0.0	-49.59	313.10	4.65	-44.94
FC(F)(F)C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224336	0	29	-1.0	-44.08	269.24	-0.09	-44.17
FC(F)(F)C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224336	1	29	-1.0	-44.10	269.30	-0.08	-44.18
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020224337	0	39	0.0	-53.20	326.12	4.43	-48.77
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020224337	1	39	0.0	-53.99	321.60	4.68	-49.31
O=S(=O)(C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1)C(F)(F)F	REAL300020224338	0	38	0.0	-56.98	338.54	3.67	-53.31
O=S(=O)(C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1)C(F)(F)F	REAL300020224338	1	38	0.0	-53.61	335.85	3.66	-49.95
O=S(=O)(C1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1)C(F)(F)F	REAL300020224338	1	37	-1.0	-40.23	327.23	0.75	-39.48
O=S(=O)(C1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1)C(F)(F)F	REAL300020224338	1	37	-1.0	-40.21	327.31	0.77	-39.44
FC1=CC=C(COC2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C(F)=C1	REAL300020224339	0	46	0.0	-48.06	378.32	9.09	-38.97
FC1=CC=C(COC2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C(F)=C1	REAL300020224339	1	46	0.0	-48.66	379.22	9.07	-39.59
CC(C)COC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224340	0	45	0.0	-45.05	351.03	7.27	-37.78
CC(C)COC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224340	1	45	0.0	-44.95	348.41	7.28	-37.67
CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224341	0	46	0.0	-50.53	348.01	4.98	-45.55
CC(C)(C)OC(=O)N1CCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224341	1	46	0.0	-54.64	348.60	4.97	-49.67
CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224341	1	46	0.0	-50.51	347.94	4.96	-45.55
CC(C)(C)OC(=O)N1CCC([N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224341	1	46	0.0	-54.63	348.53	4.96	-49.67
CC(C1=CC=C(Cl)C(Cl)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224342	0	35	0.0	-49.36	305.77	7.22	-42.14
CC(C1=CC=C(Cl)C(Cl)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224342	1	35	0.0	-51.84	305.40	7.17	-44.67
CC(C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224342	1	34	-1.0	-39.33	293.32	4.07	-35.26
CC(C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224342	1	34	-1.0	-39.32	293.39	4.09	-35.23
COC1=CN=CC(C=CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224343	0	42	0.0	-52.42	335.50	5.15	-47.27
COC1=CN=CC(C=CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224343	1	42	0.0	-54.54	336.21	5.27	-49.27
COC1=CN=CC(C=CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224343	1	42	0.0	-52.39	335.44	5.15	-47.24
COC1=CN=CC(C=CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224343	1	42	0.0	-54.50	336.14	5.27	-49.23
CC(C)(C)OC(=O)N1CCC(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224344	0	58	0.0	-54.20	424.97	8.04	-46.16
CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224344	1	58	0.0	-54.71	425.68	8.11	-46.60
CC(C)(C)OC(=O)N1CCC(CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224344	1	58	0.0	-54.18	424.90	8.03	-46.15
CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224344	1	58	0.0	-54.67	425.60	8.10	-46.57
O=C1OC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CN1C1CCCCC1	REAL300020224345	0	47	0.0	-60.29	350.38	5.91	-54.38
O=C1OC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CN1C1CCCCC1	REAL300020224345	1	47	0.0	-57.48	349.49	5.95	-51.53
COC(=O)C1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CN=C1Cl	REAL300020224346	0	36	-1.0	-39.17	318.07	2.18	-36.99
COC(=O)C1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CN=C1Cl	REAL300020224346	1	36	-1.0	-39.18	318.14	2.19	-36.99
COC(=O)C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1Cl	REAL300020224346	1	37	0.0	-58.84	319.50	4.71	-54.13
COC(=O)C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1Cl	REAL300020224346	1	37	0.0	-57.99	317.98	4.73	-53.26
FC1(F)OC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020224347	0	35	0.0	-55.78	295.80	4.62	-51.16
FC1(F)OC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020224347	1	35	0.0	-53.96	295.03	4.65	-49.31
BrC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224348	0	32	0.0	-49.41	277.52	6.15	-43.26
BrC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224348	1	32	0.0	-48.96	279.03	6.17	-42.79
BrC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224348	1	31	-1.0	-37.40	273.11	3.59	-33.81
BrC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224348	1	31	-1.0	-37.39	273.18	3.61	-33.78
FC(F)(F)COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020224349	0	37	0.0	-56.31	322.31	2.29	-54.02
FC(F)(F)COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020224349	1	37	0.0	-53.25	322.50	2.49	-50.76
FC(F)(F)COC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020224349	1	36	-1.0	-39.14	319.79	-0.25	-39.39
FC(F)(F)COC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020224349	1	36	-1.0	-39.17	319.86	-0.23	-39.40
NC1=NC(Br)=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224350	0	32	-1.0	-40.22	284.25	0.75	-39.47
NC1=NC(Br)=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224350	1	32	-1.0	-40.26	284.31	0.76	-39.50
NC1=NC(Br)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224350	1	33	0.0	-52.18	285.88	3.29	-48.89
NC1=NC(Br)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224350	1	33	0.0	-49.31	283.97	3.22	-46.09
ClC1=CC2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C(Cl)N=C2C=C1	REAL300020224351	0	37	0.0	-45.75	329.71	6.89	-38.86
ClC1=CC2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C(Cl)N=C2C=C1	REAL300020224351	1	37	0.0	-46.66	327.34	6.89	-39.77
ClC1=CC2=CC(CN3CCC(C4=N[N-]N=N4)C3)=C(Cl)N=C2C=C1	REAL300020224351	1	36	-1.0	-37.97	329.31	4.34	-33.63
ClC1=CC2=CC(CN3CCC(C4=NN=N[N-]4)C3)=C(Cl)N=C2C=C1	REAL300020224351	1	36	-1.0	-37.97	329.38	4.35	-33.62
CC(C)(C)OC(=O)N1CCCC(O)(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224352	0	53	0.0	-51.00	385.39	4.33	-46.67
CC(C)(C)OC(=O)N1CCCC(O)(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224352	1	53	0.0	-51.32	385.90	4.19	-47.13
CCOC(=O)CCCCCNC(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224353	0	53	0.0	-54.37	421.48	5.75	-48.62
CCOC(=O)CCCCCNC(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224353	1	53	0.0	-59.09	422.24	5.88	-53.21
CCOC(=O)CCCCCNC(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224353	1	53	0.0	-54.31	421.42	5.75	-48.56
CCOC(=O)CCCCCNC(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224353	1	53	0.0	-59.08	422.16	5.88	-53.20
COC1=CC=C(OC)C(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224354	0	44	0.0	-46.22	342.09	2.24	-43.98
COC1=CC=C(OC)C(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224354	1	44	0.0	-46.86	341.10	2.39	-44.47
C1=CC=C(COC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020224355	0	45	0.0	-51.35	365.88	6.26	-45.09
C1=CC=C(COC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020224355	1	45	0.0	-51.78	366.73	6.21	-45.57
CS(=O)(=O)CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224356	0	41	0.0	-56.45	342.29	3.81	-52.64
CS(=O)(=O)CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224356	1	41	0.0	-56.48	342.20	3.82	-52.66
C1=CC=C(COC2=CC=CC=C2C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224357	0	46	0.0	-43.97	362.64	9.09	-34.88
C1=CC=C(COC2=CC=CC=C2C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224357	1	46	0.0	-41.75	366.61	8.96	-32.79
COC1=CC=C(C(C)C)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224358	0	45	0.0	-39.96	347.49	6.99	-32.97
COC1=CC=C(C(C)C)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224358	1	45	0.0	-40.44	344.75	6.99	-33.45
FC1(F)OC2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224359	0	35	0.0	-50.94	293.26	4.67	-46.27
FC1(F)OC2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224359	1	35	0.0	-47.47	296.28	4.71	-42.76
FC1(F)OC2=CC=CC(CN3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020224359	1	34	-1.0	-38.51	295.67	2.19	-36.32
FC1(F)OC2=CC=CC(CN3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224359	1	34	-1.0	-38.50	295.74	2.21	-36.29
CC(=O)C1=CC=CC=C1NC(=O)CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224360	0	47	0.0	-53.09	372.29	6.33	-46.76
CC(=O)C1=CC=CC=C1NC(=O)CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224360	1	47	0.0	-52.76	373.49	6.36	-46.40
CC(=O)C1=CC=CC=C1NC(=O)CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224360	1	47	0.0	-53.06	372.22	6.32	-46.74
CC(=O)C1=CC=CC=C1NC(=O)CCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224360	1	47	0.0	-52.69	373.43	6.35	-46.34
CN1C(CN2CCC(C3=N[N-]N=N3)C2)=CN=C1SC(F)(F)F	REAL300020224361	0	35	-1.0	-39.02	317.64	3.11	-35.91
CN1C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1SC(F)(F)F	REAL300020224361	1	36	0.0	-52.92	320.52	5.76	-47.16
CN1C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1SC(F)(F)F	REAL300020224361	1	36	0.0	-51.69	312.81	5.46	-46.23
CN1C(CN2CCC(C3=NN=N[N-]3)C2)=CN=C1SC(F)(F)F	REAL300020224361	1	35	-1.0	-39.05	317.71	3.13	-35.92
FC1=CC(Br)=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020224362	0	31	-1.0	-38.16	283.09	3.60	-34.56
FC1=CC(Br)=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020224362	1	31	-1.0	-38.19	283.15	3.62	-34.57
COC(=O)C1=CC=C([N+](=O)[O-])C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224363	0	40	0.0	-45.76	331.37	6.97	-38.79
COC(=O)C1=CC=C([N+](=O)[O-])C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224363	1	40	0.0	-45.26	334.29	6.89	-38.37
COC(=O)C1=CC=C([N+](=O)[O-])C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224363	1	39	-1.0	-43.04	332.17	5.14	-37.90
COC(=O)C1=CC=C([N+](=O)[O-])C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224363	1	39	-1.0	-43.10	332.24	5.15	-37.95
CCC(OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224364	0	45	0.0	-45.75	347.14	7.44	-38.31
CCC(OCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224364	1	45	0.0	-44.80	353.68	7.43	-37.37
FC1=CC=CC(Cl)=C1C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020224365	0	36	-1.0	-48.35	318.11	2.40	-45.95
FC1=CC=CC(Cl)=C1C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020224365	1	36	-1.0	-48.30	318.05	2.39	-45.91
FC(F)(F)OC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224366	0	36	0.0	-47.91	304.46	5.34	-42.57
FC(F)(F)OC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224366	1	36	0.0	-49.01	301.41	5.35	-43.66
CS(=O)(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224367	0	40	0.0	-58.32	320.68	1.50	-56.82
CS(=O)(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224367	1	40	0.0	-58.34	314.69	1.23	-57.11
CS(=O)(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224367	1	40	0.0	-58.29	320.61	1.50	-56.79
CS(=O)(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224367	1	40	0.0	-58.30	314.62	1.22	-57.08
CC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)O1	REAL300020224368	0	37	-1.0	-44.10	318.06	2.53	-41.57
CC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020224368	1	37	-1.0	-44.12	318.13	2.54	-41.58
CC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020224368	1	38	0.0	-46.74	328.22	5.32	-41.42
CC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)O1	REAL300020224368	1	38	0.0	-48.64	326.69	5.59	-43.05
ClC1=CC=C(I)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224369	0	31	-1.0	-37.08	281.88	3.82	-33.26
ClC1=CC=C(I)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224369	1	31	-1.0	-37.09	281.95	3.83	-33.26
ClC1=CC=C(I)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224369	1	32	0.0	-44.36	297.69	7.13	-37.23
ClC1=CC=C(I)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224369	1	32	0.0	-40.76	297.37	7.18	-33.58
C1=CC=C(COC2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)N=C1	REAL300020224370	0	45	0.0	-48.71	360.95	7.17	-41.54
C1=CC=C(COC2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)N=C1	REAL300020224370	1	45	0.0	-48.32	359.44	7.13	-41.19
O=S(=O)(NC1CC1)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224371	0	44	0.0	-56.59	365.93	3.43	-53.16
O=S(=O)(NC1CC1)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224371	1	44	0.0	-57.07	366.83	3.40	-53.67
FC1=CC=C(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224372	0	36	0.0	-56.02	311.70	7.04	-48.98
FC1=CC=C(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224372	1	36	0.0	-52.33	310.95	6.95	-45.38
O=S1(=O)N=C(CN2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020224373	0	35	-1.0	-55.55	303.90	-0.06	-55.61
O=S1(=O)N=C(CN2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020224373	1	35	-1.0	-55.62	303.97	-0.06	-55.68
COC(=O)CCN1CCCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224374	0	45	0.0	-47.20	348.16	4.86	-42.34
COC(=O)CCN1CCCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224374	1	45	0.0	-56.54	349.63	4.87	-51.67
FC1(F)OC2=CC=C(CC[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020224375	0	38	0.0	-55.60	319.59	5.46	-50.14
FC1(F)OC2=CC=C(CC[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020224375	1	38	0.0	-57.25	319.62	5.50	-51.75
FC1(F)OC2=CC=C(CC[N@@H+]3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020224375	1	38	0.0	-55.59	319.52	5.46	-50.13
FC1(F)OC2=CC=C(CC[N@H+]3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020224375	1	38	0.0	-57.19	319.56	5.48	-51.71
ClC1=CC=CC(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224376	0	36	0.0	-50.33	315.02	7.40	-42.93
ClC1=CC=CC(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224376	1	36	0.0	-49.97	315.52	7.35	-42.62
ClC1=CC=CC(SCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224376	1	36	0.0	-50.32	314.95	7.38	-42.94
ClC1=CC=CC(SCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224376	1	36	0.0	-49.96	315.46	7.33	-42.63
COC1=CC=CC(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224377	0	40	0.0	-54.19	327.78	6.17	-48.02
COC1=CC=CC(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224377	1	40	0.0	-50.37	328.28	6.14	-44.23
COC1=CC=CC(SCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224377	1	40	0.0	-54.10	327.70	6.16	-47.94
COC1=CC=CC(SCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224377	1	40	0.0	-50.31	328.21	6.12	-44.19
FC1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1OC(F)F	REAL300020224378	0	35	-1.0	-40.63	294.00	2.87	-37.76
FC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1OC(F)F	REAL300020224378	1	36	0.0	-45.60	296.29	5.45	-40.15
FC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1OC(F)F	REAL300020224378	1	36	0.0	-46.63	300.90	5.31	-41.32
FC1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1OC(F)F	REAL300020224378	1	35	-1.0	-40.60	294.06	2.89	-37.71
FC1=CC=C(OC(F)F)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224379	0	35	-1.0	-40.97	300.90	2.77	-38.20
FC1=CC=C(OC(F)F)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224379	1	36	0.0	-48.26	302.02	5.37	-42.89
FC1=CC=C(OC(F)F)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224379	1	36	0.0	-46.81	301.07	5.30	-41.51
FC1=CC=C(OC(F)F)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224379	1	35	-1.0	-41.00	300.97	2.78	-38.22
BrC1=C(CN2CCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300020224380	0	34	-1.0	-40.54	298.07	4.13	-36.41
BrC1=C(CN2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020224380	1	34	-1.0	-40.55	298.14	4.14	-36.41
BrC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020224380	1	35	0.0	-43.56	300.19	6.50	-37.06
BrC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300020224380	1	35	0.0	-45.03	308.07	6.74	-38.29
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)N=C1	REAL300020224381	0	34	-1.0	-45.56	299.57	0.24	-45.32
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)N=C1	REAL300020224381	1	34	-1.0	-45.59	299.64	0.24	-45.35
FC(F)(F)C1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020224382	0	34	-1.0	-41.73	298.66	4.04	-37.69
FC(F)(F)C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020224382	1	35	0.0	-53.50	310.59	6.99	-46.51
FC(F)(F)C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020224382	1	35	0.0	-53.29	309.12	7.03	-46.26
FC(F)(F)C1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020224382	1	34	-1.0	-41.74	298.73	4.05	-37.69
CC1=CC(Br)=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020224383	0	34	-1.0	-37.60	310.02	4.73	-32.87
CC1=CC(Br)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224383	1	35	0.0	-44.57	310.72	7.33	-37.24
CC1=CC(Br)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224383	1	35	0.0	-41.52	310.52	7.32	-34.20
CC1=CC(Br)=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224383	1	34	-1.0	-37.58	310.09	4.74	-32.84
COC(=O)C(C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224384	0	37	-1.0	-43.92	325.48	4.74	-39.18
COC(=O)C(C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224384	1	37	-1.0	-43.97	325.54	4.76	-39.21
CC(C)(C)OC(=O)N1CC2(C1)CCC(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)O2	REAL300020224385	0	54	0.0	-52.95	407.60	5.45	-47.50
CC(C)(C)OC(=O)N1CC2(C1)CCC(C[N@H+]1CCC(C3=NN=N[N-]3)C1)O2	REAL300020224385	1	54	0.0	-51.56	407.74	5.42	-46.14
CN1C=C(C2=NCC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)O2)C=N1	REAL300020224386	0	40	0.0	-51.27	324.34	0.21	-51.06
CN1C=C(C2=NCC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)O2)C=N1	REAL300020224386	1	40	0.0	-49.39	324.37	0.19	-49.20
CN1C=C(C2=NCC(CN3CCC(C4=N[N-]N=N4)C3)O2)C=N1	REAL300020224386	1	39	-1.0	-42.41	324.25	-2.28	-44.69
CN1C=C(C2=NCC(CN3CCC(C4=NN=N[N-]4)C3)O2)C=N1	REAL300020224386	1	39	-1.0	-42.40	324.32	-2.25	-44.65
COC(=O)C1=CC=C2NC(CN3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020224387	0	40	-1.0	-43.19	338.08	2.37	-40.82
COC(=O)C1=CC=C2NC(CN3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224387	1	40	-1.0	-43.21	338.14	2.39	-40.82
COC(=O)C1=CC=C2NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224387	1	41	0.0	-58.32	340.35	4.87	-53.45
COC(=O)C1=CC=C2NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224387	1	41	0.0	-54.09	340.12	4.95	-49.14
COC(=O)CCN1CCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224388	0	42	0.0	-56.58	337.23	4.30	-52.28
COC(=O)CCN1CCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224388	1	42	0.0	-50.07	336.13	4.30	-45.77
COC(=O)CCN1CCC(N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020224388	1	41	-1.0	-43.26	334.61	1.82	-41.44
COC(=O)CCN1CCC(N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224388	1	41	-1.0	-43.28	334.68	1.84	-41.44
ClC1=CC(Br)=CN=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224389	0	30	-1.0	-36.96	287.08	2.28	-34.68
ClC1=CC(Br)=CN=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224389	1	30	-1.0	-36.96	287.15	2.29	-34.67
C1=CC=C2C(=C1)SN=C2CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224390	0	37	0.0	-53.59	310.68	6.42	-47.17
C1=CC=C2C(=C1)SN=C2CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224390	1	37	0.0	-57.00	311.06	6.38	-50.62
C1=CC=C2C(=C1)SN=C2CC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224390	1	37	0.0	-53.60	310.61	6.41	-47.19
C1=CC=C2C(=C1)SN=C2CC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224390	1	37	0.0	-56.97	310.99	6.37	-50.60
OC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020224391	0	35	-1.0	-42.19	305.54	1.27	-40.92
OC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020224391	1	36	0.0	-51.02	308.23	3.70	-47.32
OC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020224391	1	36	0.0	-51.00	306.72	3.72	-47.28
OC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020224391	1	35	-1.0	-42.23	305.60	1.27	-40.96
CCOP(=O)(OCC)C(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224392	0	43	0.0	-45.25	349.58	1.71	-43.54
CCOP(=O)(OCC)C(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224392	1	43	0.0	-47.17	352.03	1.53	-45.64
CC(C)(C)OC(=O)N1CCOC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224393	0	50	0.0	-48.40	373.66	4.62	-43.78
CC(C)(C)OC(=O)N1CCOC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224393	1	50	0.0	-49.49	375.70	4.41	-45.08
N#CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020224394	0	36	0.0	-54.64	304.75	6.76	-47.88
N#CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020224394	1	36	0.0	-54.84	305.89	6.93	-47.91
N#CC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1	REAL300020224394	1	35	-1.0	-43.83	307.64	5.65	-38.18
N#CC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020224394	1	35	-1.0	-43.85	307.71	5.66	-38.19
CC(C)(C)OC(=O)C1CCC(O)(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224395	0	54	0.0	-46.47	388.40	5.44	-41.03
CC(C)(C)OC(=O)C1CCC(O)(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224395	1	54	0.0	-46.68	388.43	5.52	-41.16
CC(C)(C)OC(=O)C1CCC(O)(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224395	1	54	0.0	-46.44	388.33	5.43	-41.01
CC(C)(C)OC(=O)C1CCC(O)(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224395	1	54	0.0	-46.68	388.36	5.51	-41.17
O=S(=O)(CCN1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020224396	0	43	-1.0	-43.56	338.94	1.10	-42.46
O=S(=O)(CCN1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020224396	1	43	-1.0	-43.58	339.01	1.11	-42.47
O=S(=O)(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020224396	1	44	0.0	-57.35	342.35	3.51	-53.84
O=S(=O)(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020224396	1	44	0.0	-62.31	343.07	3.64	-58.67
O=C1NC2=CC=C(Br)C=C2CCC1[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224397	0	40	0.0	-51.39	326.13	5.58	-45.81
O=C1NC2=CC=C(Br)C=C2CCC1[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224397	1	40	0.0	-52.16	325.43	5.53	-46.63
O=C1NC2=CC=C(Br)C=C2CCC1N1CCC(C2=N[N-]N=N2)C1	REAL300020224397	1	39	-1.0	-38.67	323.59	3.13	-35.54
O=C1NC2=CC=C(Br)C=C2CCC1N1CCC(C2=NN=N[N-]2)C1	REAL300020224397	1	39	-1.0	-38.68	323.66	3.15	-35.53
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1CCCCC1	REAL300020224398	0	46	0.0	-53.46	338.69	5.86	-47.60
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCN1C1CCCCC1	REAL300020224398	1	46	0.0	-44.36	338.39	5.87	-38.49
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1CCCCC1	REAL300020224398	1	45	-1.0	-49.86	336.30	3.51	-46.35
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1CCCCC1	REAL300020224398	1	45	-1.0	-49.88	336.38	3.53	-46.35
COC(CC1=CC=C(F)C=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224399	0	42	0.0	-52.96	335.86	6.31	-46.65
COC(CC1=CC=C(F)C=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224399	1	42	0.0	-49.22	337.11	6.50	-42.72
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(Cl)C(F)=C1	REAL300020224400	0	35	-1.0	-42.42	312.51	2.32	-40.10
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(Cl)C(F)=C1	REAL300020224400	1	35	-1.0	-42.43	312.59	2.33	-40.10
C[C@@H](NC(=O)CN1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224401	0	41	-1.0	-40.11	333.24	2.71	-37.40
C[C@@H](NC(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224401	1	42	0.0	-49.18	334.14	5.00	-44.18
C[C@@H](NC(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224401	1	42	0.0	-46.90	334.90	5.07	-41.83
C[C@@H](NC(=O)CN1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224401	1	41	-1.0	-40.07	333.31	2.73	-37.34
COC1=CC=C(C2=NOC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224402	0	42	0.0	-52.54	343.39	6.06	-46.48
COC1=CC=C(C2=NOC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224402	1	42	0.0	-54.72	342.72	6.13	-48.59
CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224403	0	49	0.0	-47.65	359.18	5.34	-42.31
CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224403	1	49	0.0	-51.13	363.68	5.66	-45.47
CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224403	1	49	0.0	-47.65	359.11	5.33	-42.32
CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224403	1	49	0.0	-51.13	363.60	5.65	-45.48
CC(C)(C)OC(=O)CN1CCC(N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020224404	0	47	-1.0	-44.48	368.47	3.48	-41.00
CC(C)(C)OC(=O)CN1CCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224404	1	48	0.0	-47.29	370.16	5.94	-41.35
CC(C)(C)OC(=O)CN1CCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224404	1	48	0.0	-46.51	370.73	5.85	-40.66
CC(C)(C)OC(=O)CN1CCC(N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224404	1	47	-1.0	-44.51	368.54	3.49	-41.02
CC1=CC(Br)=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020224405	0	34	-1.0	-37.60	310.02	4.73	-32.87
CC1=CC(Br)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224405	1	35	0.0	-44.57	310.72	7.33	-37.24
CC1=CC(Br)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224405	1	35	0.0	-41.52	310.52	7.32	-34.20
CC1=CC(Br)=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224405	1	34	-1.0	-37.58	310.09	4.74	-32.84
FC1(F)OC2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224406	0	35	0.0	-50.94	293.26	4.67	-46.27
FC1(F)OC2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224406	1	35	0.0	-47.47	296.28	4.71	-42.76
FC1(F)OC2=CC=CC(CN3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020224406	1	34	-1.0	-38.51	295.67	2.19	-36.32
FC1(F)OC2=CC=CC(CN3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224406	1	34	-1.0	-38.50	295.74	2.21	-36.29
CN(C(=O)CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224407	0	42	0.0	-55.64	335.62	6.39	-49.25
CN(C(=O)CC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224407	1	42	0.0	-59.38	335.15	6.41	-52.97
CN(C(=O)CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224407	1	42	0.0	-55.59	335.55	6.38	-49.21
CN(C(=O)CC[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224407	1	42	0.0	-59.31	335.08	6.39	-52.92
COC1=CC=C(CN2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020224408	0	47	0.0	-57.32	371.01	5.73	-51.59
COC1=CC=C(CN2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020224408	1	47	0.0	-48.04	370.73	5.75	-42.29
COC1=CC=C(CN2CCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)C=C1	REAL300020224408	1	46	-1.0	-51.03	368.64	3.37	-47.66
COC1=CC=C(CN2CCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020224408	1	46	-1.0	-51.05	368.71	3.39	-47.66
BrC1=C(CN2CCC(C3=N[N-]N=N3)C2)N=CS1	REAL300020224409	0	27	-1.0	-38.75	254.22	0.44	-38.31
BrC1=C(CN2CCC(C3=NN=N[N-]3)C2)N=CS1	REAL300020224409	1	27	-1.0	-38.75	254.29	0.45	-38.30
COC1=NC=C(Br)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224410	0	34	-1.0	-37.79	296.82	0.51	-37.28
COC1=NC=C(Br)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224410	1	34	-1.0	-37.82	296.89	0.52	-37.30
COC1=NC=C(Br)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224410	1	35	0.0	-44.94	299.87	3.08	-41.86
COC1=NC=C(Br)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224410	1	35	0.0	-46.91	306.36	3.00	-43.91
ClC1=CC=C(I)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224411	0	31	-1.0	-37.08	281.88	3.82	-33.26
ClC1=CC=C(I)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224411	1	31	-1.0	-37.09	281.95	3.83	-33.26
ClC1=CC=C(I)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224411	1	32	0.0	-44.36	297.69	7.13	-37.23
ClC1=CC=C(I)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224411	1	32	0.0	-40.76	297.37	7.18	-33.58
CNS(=O)(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224412	0	40	0.0	-55.95	333.85	1.79	-54.16
CNS(=O)(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224412	1	40	0.0	-57.29	334.35	1.71	-55.58
COC(=O)C(C1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020224413	0	37	-1.0	-39.18	319.79	4.83	-34.35
COC(=O)C(C1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020224413	1	37	-1.0	-39.18	319.86	4.84	-34.34
CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224414	0	49	0.0	-57.18	375.49	5.75	-51.43
CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224414	1	49	0.0	-58.85	375.45	5.79	-53.06
CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224414	1	49	0.0	-57.18	375.42	5.74	-51.44
CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224414	1	49	0.0	-58.81	375.37	5.79	-53.02
CC(C)(C)OC(=O)N1CCC2=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=CC=C2C1	REAL300020224415	0	56	0.0	-50.60	418.26	8.76	-41.84
CC(C)(C)OC(=O)N1CCC2=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=CC=C2C1	REAL300020224415	1	56	0.0	-50.83	416.50	8.69	-42.14
COC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=C(Br)C=N1	REAL300020224416	0	34	-1.0	-40.32	287.92	-0.51	-40.83
COC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=C(Br)C=N1	REAL300020224416	1	34	-1.0	-40.33	287.99	-0.50	-40.83
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(Br)C=N1	REAL300020224416	1	35	0.0	-46.99	302.73	2.90	-44.09
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(Br)C=N1	REAL300020224416	1	35	0.0	-47.03	302.98	2.88	-44.15
ClC1=CC=CC(CCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224417	0	41	0.0	-47.59	339.73	8.44	-39.15
ClC1=CC=CC(CCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224417	1	41	0.0	-49.65	339.62	8.49	-41.16
ClC1=CC=CC(CCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224417	1	41	0.0	-47.57	339.66	8.44	-39.13
ClC1=CC=CC(CCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224417	1	41	0.0	-49.65	339.54	8.48	-41.17
ClC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020224418	0	35	0.0	-43.30	298.63	6.40	-36.90
ClC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020224418	1	35	0.0	-42.71	299.56	6.48	-36.23
N#CC1=CC=CC=C1OCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224419	0	41	0.0	-58.29	339.98	3.43	-54.86
N#CC1=CC=CC=C1OCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224419	1	41	0.0	-58.06	340.09	3.42	-54.64
CN(C)S(C)(=O)=NC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020224420	0	38	-1.0	-52.15	315.71	-2.24	-54.39
CN(C)S(C)(=O)=NC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224420	1	38	-1.0	-52.13	315.78	-2.23	-54.36
COC1=CC=C(C2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC3=C2OCO3)C=N1	REAL300020224421	0	48	0.0	-56.75	391.74	4.56	-52.19
COC1=CC=C(C2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC3=C2OCO3)C=N1	REAL300020224421	1	48	0.0	-57.54	391.05	4.64	-52.90
NC1=NC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N2[N-]1	REAL300020224422	0	35	-1.0	-67.45	297.20	4.65	-62.80
NC1=NC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N2[N-]1	REAL300020224422	1	35	-1.0	-66.47	295.29	5.04	-61.43
COC1=NC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020224423	0	41	0.0	-47.63	327.40	4.53	-43.10
COC1=NC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020224423	1	41	0.0	-48.91	327.12	4.51	-44.40
CN(C)C1=NC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020224424	0	45	0.0	-47.79	351.88	6.59	-41.20
CN(C)C1=NC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020224424	1	45	0.0	-46.97	349.65	6.52	-40.45
CC1=CC=CC=C1SCC(C)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224425	0	45	0.0	-48.22	354.57	8.77	-39.45
CC1=CC=CC=C1SCC(C)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224425	1	45	0.0	-48.90	354.88	8.86	-40.04
CC1=CC=CC=C1SCC(C)C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224425	1	45	0.0	-48.19	354.50	8.76	-39.43
CC1=CC=CC=C1SCC(C)C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224425	1	45	0.0	-48.86	354.81	8.85	-40.01
BrC1=CN=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224426	0	30	-1.0	-39.84	270.12	2.11	-37.73
BrC1=CN=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224426	1	31	0.0	-44.30	270.88	4.54	-39.76
BrC1=CN=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224426	1	31	0.0	-44.43	270.70	4.48	-39.95
BrC1=CN=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224426	1	30	-1.0	-39.85	270.20	2.11	-37.74
CCCN(CC(F)(F)F)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020224427	0	40	-1.0	-45.07	325.28	2.52	-42.55
CCCN(CC(F)(F)F)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224427	1	40	-1.0	-45.06	325.34	2.53	-42.53
FC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1C(F)(F)F	REAL300020224428	0	41	0.0	-52.98	359.46	5.10	-47.88
FC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1C(F)(F)F	REAL300020224428	1	41	0.0	-50.02	360.29	5.15	-44.87
FC1=CC=C(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)C=C1C(F)(F)F	REAL300020224428	1	40	-1.0	-40.99	350.40	2.62	-38.37
FC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)C=C1C(F)(F)F	REAL300020224428	1	40	-1.0	-41.00	350.48	2.64	-38.36
FC1=CC=CC=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224429	0	38	0.0	-47.06	320.73	4.10	-42.96
FC1=CC=CC=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224429	1	38	0.0	-49.17	318.98	4.48	-44.69
FC1=CC=CC=C1C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CO1	REAL300020224429	1	37	-1.0	-51.30	315.97	1.69	-49.61
FC1=CC=CC=C1C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224429	1	37	-1.0	-51.29	316.03	1.70	-49.59
ClC1=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=CC(Cl)=C1	REAL300020224430	0	38	0.0	-50.29	348.65	5.05	-45.24
ClC1=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=CC(Cl)=C1	REAL300020224430	1	38	0.0	-46.45	349.42	5.12	-41.33
ClC1=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)=CC(Cl)=C1	REAL300020224430	1	37	-1.0	-39.96	339.62	2.57	-37.39
ClC1=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)=CC(Cl)=C1	REAL300020224430	1	37	-1.0	-39.96	339.69	2.58	-37.38
OC1(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CCN(CC2=CC=CC=C2)C1	REAL300020224431	0	48	0.0	-46.15	362.19	3.01	-43.14
OC1(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CCN(CC2=CC=CC=C2)C1	REAL300020224431	1	48	0.0	-45.89	363.70	3.29	-42.60
OC1(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC[NH+](CC2=CC=CC=C2)C1	REAL300020224431	1	49	1.0	-104.95	366.47	5.69	-99.26
OC1(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC[NH+](CC2=CC=CC=C2)C1	REAL300020224431	1	49	1.0	-106.45	363.88	5.55	-100.90
OC1(C[NH+]2CCC(C3=NN=N[N-]3)C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020224431	1	49	1.0	-106.82	364.58	5.56	-101.26
OC1(C[NH+]2CCC(C3=NN=N[N-]3)C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020224431	1	49	1.0	-106.20	366.90	5.60	-100.60
N#CC1(CC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020224432	0	44	0.0	-54.24	335.18	1.71	-52.53
N#CC1(CC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020224432	1	44	0.0	-59.63	334.44	1.71	-57.92
CCCCCCCCCCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224433	0	56	0.0	-44.86	423.20	7.22	-37.64
CCCCCCCCCCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224433	1	56	0.0	-45.88	419.82	7.49	-38.39
COC1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020224434	0	42	0.0	-50.95	344.67	3.34	-47.61
COC1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020224434	1	42	0.0	-47.73	345.44	3.41	-44.32
COC1=CC=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)=C1	REAL300020224434	1	41	-1.0	-45.62	335.63	0.87	-44.75
COC1=CC=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020224434	1	41	-1.0	-45.60	335.70	0.88	-44.72
COC(=O)C(C1=CC=CC(OC)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224435	0	41	-1.0	-40.81	325.31	2.61	-38.20
COC(=O)C(C1=CC=CC(OC)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224435	1	41	-1.0	-40.87	325.38	2.62	-38.25
CN1N=CC(I)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224436	0	31	-1.0	-37.95	279.14	1.73	-36.22
CN1N=CC(I)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224436	1	31	-1.0	-37.99	279.22	1.73	-36.26
FC(F)(F)[C@@H]1OC2=CC=CC=C2C[C@H]1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224437	0	43	0.0	-53.93	342.79	7.13	-46.80
FC(F)(F)[C@@H]1OC2=CC=CC=C2C[C@H]1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224437	1	43	0.0	-53.33	338.33	6.85	-46.48
FC(F)(F)[C@@H]1OC2=CC=CC=C2C[C@H]1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224437	1	43	0.0	-53.89	342.72	7.11	-46.78
FC(F)(F)[C@@H]1OC2=CC=CC=C2C[C@H]1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224437	1	43	0.0	-53.22	338.27	6.83	-46.39
OC(COC1=CC(Cl)=CC(Cl)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224438	0	40	0.0	-51.34	353.93	4.09	-47.25
OC(COC1=CC(Cl)=CC(Cl)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224438	1	40	0.0	-51.08	352.88	4.03	-47.05
C1=CC2=CC=CC(C3=NN=C(CN4CCC(C5=N[N-]N=N5)C4)O3)=C2C=C1	REAL300020224439	0	42	-1.0	-52.44	345.09	1.18	-51.26
C1=CC2=CC=CC(C3=NN=C(CN4CCC(C5=NN=N[N-]5)C4)O3)=C2C=C1	REAL300020224439	1	42	-1.0	-52.42	345.16	1.20	-51.22
O=[N+]([O-])C1=CC=CC=C1C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020224440	0	38	-1.0	-60.10	325.40	0.53	-59.57
O=[N+]([O-])C1=CC=CC=C1C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224440	1	38	-1.0	-60.13	325.48	0.55	-59.58
CC(C1=NN=C(C2=CC3=CC=CC=C3C=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224441	0	45	-1.0	-49.51	372.40	2.01	-47.50
CC(C1=NN=C(C2=CC3=CC=CC=C3C=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224441	1	45	-1.0	-49.53	372.48	2.02	-47.51
CC1=CC=C2SC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224442	0	37	0.0	-44.34	312.61	5.77	-38.57
CC1=CC=C2SC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224442	1	37	0.0	-44.04	309.42	5.71	-38.33
CC1=CC=C2SC(CN3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020224442	1	36	-1.0	-40.92	309.98	3.18	-37.74
CC1=CC=C2SC(CN3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020224442	1	36	-1.0	-40.95	310.04	3.20	-37.75
CCN(CC(F)(F)F)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020224443	0	37	-1.0	-46.03	305.82	1.84	-44.19
CCN(CC(F)(F)F)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224443	1	37	-1.0	-46.02	305.88	1.85	-44.17
CCC1=CC=C(C(CC(C)C)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224444	0	50	0.0	-42.35	374.14	9.59	-32.76
CCC1=CC=C(C(CC(C)C)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224444	1	50	0.0	-42.39	370.53	9.26	-33.13
CCC1=CC=C(C(CC(C)C)[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224444	1	50	0.0	-42.32	374.06	9.57	-32.75
CCC1=CC=C(C(CC(C)C)[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224444	1	50	0.0	-42.39	370.46	9.26	-33.13
O=C1C2=CC=CC=C2C(=O)N1CC#CCN1CCC(C2=N[N-]N=N2)C1	REAL300020224445	0	40	-1.0	-48.94	349.64	4.10	-44.84
O=C1C2=CC=CC=C2C(=O)N1CC#CCN1CCC(C2=NN=N[N-]2)C1	REAL300020224445	1	40	-1.0	-48.93	349.70	4.11	-44.82
BrCC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020224446	0	35	0.0	-42.94	276.73	5.75	-37.19
BrCC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020224446	1	35	0.0	-39.81	280.78	6.20	-33.61
BrCC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020224446	1	35	0.0	-42.91	276.66	5.74	-37.17
BrCC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020224446	1	35	0.0	-39.77	280.72	6.19	-33.58
FC(F)(F)C1=CC=CC=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224447	0	41	0.0	-47.48	346.01	5.05	-42.43
FC(F)(F)C1=CC=CC=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224447	1	41	0.0	-49.43	346.11	5.20	-44.23
FC(F)(F)C1=CC=CC=C1C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CO1	REAL300020224447	1	40	-1.0	-45.82	342.66	2.69	-43.13
FC(F)(F)C1=CC=CC=C1C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224447	1	40	-1.0	-45.82	342.74	2.70	-43.12
CS(=O)(=O)N1CCC(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224448	0	46	-1.0	-53.44	369.30	-2.36	-55.80
CS(=O)(=O)N1CCC(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224448	1	46	-1.0	-53.48	369.36	-2.34	-55.82
CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224448	1	47	0.0	-56.75	374.29	0.29	-56.46
CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224448	1	47	0.0	-56.40	373.45	0.30	-56.10
CC(C(=O)N[C@H](C)C1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224449	0	45	0.0	-45.81	351.24	5.53	-40.28
CC(C(=O)N[C@H](C)C1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224449	1	45	0.0	-54.13	351.26	5.52	-48.61
CC(C(=O)N[C@H](C)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224449	1	44	-1.0	-49.92	349.27	3.24	-46.68
CC(C(=O)N[C@H](C)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224449	1	44	-1.0	-49.96	349.34	3.26	-46.70
O=C(CN1CCC(C2=N[N-]N=N2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1	REAL300020224450	0	42	-1.0	-46.47	328.14	4.20	-42.27
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1	REAL300020224450	1	43	0.0	-49.08	333.29	6.82	-42.26
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1	REAL300020224450	1	43	0.0	-50.13	333.49	6.89	-43.24
O=C(CN1CCC(C2=NN=N[N-]2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1	REAL300020224450	1	42	-1.0	-46.45	328.20	4.22	-42.23
FC(F)(F)C1=CC(C(F)(F)F)=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224451	0	37	-1.0	-39.57	333.25	5.11	-34.46
FC(F)(F)C1=CC(C(F)(F)F)=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224451	1	37	-1.0	-39.55	333.32	5.13	-34.42
FC(F)(F)C1=CC(C(F)(F)F)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224451	1	38	0.0	-54.39	333.94	7.54	-46.85
FC(F)(F)C1=CC(C(F)(F)F)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224451	1	38	0.0	-52.45	335.91	7.54	-44.91
COC(=O)C1=CC(C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C(C)N1	REAL300020224452	0	40	-1.0	-45.83	336.14	2.25	-43.58
COC(=O)C1=CC(C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020224452	1	40	-1.0	-45.84	336.21	2.26	-43.58
COC(=O)C1=CC(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020224452	1	41	0.0	-48.47	339.59	4.66	-43.81
COC(=O)C1=CC(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020224452	1	41	0.0	-50.08	339.17	4.68	-45.40
CN1N=CC(Br)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224453	0	31	-1.0	-38.32	273.87	1.33	-36.99
CN1N=CC(Br)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224453	1	31	-1.0	-38.35	273.94	1.33	-37.02
CN1C(=O)OC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020224454	0	38	0.0	-60.84	310.63	5.54	-55.30
CN1C(=O)OC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020224454	1	38	0.0	-61.82	311.54	5.51	-56.31
COC1=CC=CC=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224455	0	42	0.0	-46.26	343.50	4.22	-42.04
COC1=CC=CC=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224455	1	42	0.0	-47.96	342.81	4.33	-43.63
COC1=CC=CC=C1C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CO1	REAL300020224455	1	41	-1.0	-47.28	340.16	1.86	-45.42
COC1=CC=CC=C1C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020224455	1	41	-1.0	-47.27	340.23	1.87	-45.40
CCSC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224456	0	39	0.0	-46.18	336.12	8.04	-38.14
CCSC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224456	1	39	0.0	-41.66	334.65	8.03	-33.63
CCSC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020224456	1	38	-1.0	-39.45	336.37	5.79	-33.66
CCSC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224456	1	38	-1.0	-39.44	336.44	5.79	-33.65
FC1=C(Br)C=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020224457	0	31	-1.0	-37.04	288.72	3.79	-33.25
FC1=C(Br)C=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020224457	1	31	-1.0	-36.99	288.80	3.80	-33.19
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)OC(C2=CC=CC=C2)=N1	REAL300020224458	0	41	0.0	-49.13	328.55	4.61	-44.52
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)OC(C2=CC=CC=C2)=N1	REAL300020224458	1	41	0.0	-48.30	335.64	4.96	-43.34
FC1=CC(Br)=CN=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224459	0	30	-1.0	-37.31	278.32	1.89	-35.42
FC1=CC(Br)=CN=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224459	1	30	-1.0	-37.32	278.38	1.90	-35.42
C1=CC=C(C2=NC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020224460	0	40	0.0	-52.87	326.62	6.87	-46.00
C1=CC=C(C2=NC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020224460	1	40	0.0	-52.35	324.72	6.79	-45.56
FC1=C(Cl)C=C(Cl)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224461	0	31	-1.0	-37.94	288.41	3.92	-34.02
FC1=C(Cl)C=C(Cl)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224461	1	31	-1.0	-37.93	288.47	3.94	-33.99
FC1=C(Cl)C=C(Cl)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224461	1	32	0.0	-44.78	297.72	6.70	-38.08
FC1=C(Cl)C=C(Cl)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224461	1	32	0.0	-45.27	289.67	6.38	-38.89
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCN1C1=CC=C(Cl)C=C1F	REAL300020224462	0	39	-1.0	-41.01	340.43	4.30	-36.71
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCN1C1=CC=C(Cl)C=C1F	REAL300020224462	1	39	-1.0	-40.98	340.50	4.32	-36.66
FC(F)(F)C1=CC=C([C@@H]2OCCC[C@H]2C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224463	0	49	0.0	-51.97	386.37	8.28	-43.69
FC(F)(F)C1=CC=C([C@@H]2OCCC[C@H]2C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224463	1	49	0.0	-51.94	380.36	7.87	-44.07
FC(F)(F)C1=CC=C([C@@H]2OCCC[C@H]2C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224463	1	49	0.0	-51.92	386.29	8.27	-43.65
FC(F)(F)C1=CC=C([C@@H]2OCCC[C@H]2C[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224463	1	49	0.0	-51.91	380.29	7.86	-44.05
O=[N+]([O-])C1=CC(Cl)=CC=C1C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020224464	0	38	-1.0	-57.00	341.96	0.87	-56.13
O=[N+]([O-])C1=CC(Cl)=CC=C1C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224464	1	38	-1.0	-57.01	342.02	0.89	-56.12
CC1=NC=C(CNC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224465	0	41	0.0	-56.33	346.87	2.70	-53.63
CC1=NC=C(CNC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224465	1	41	0.0	-56.66	347.03	2.80	-53.86
CC1=NC=C(CNC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224465	1	41	0.0	-56.26	346.80	2.69	-53.57
CC1=NC=C(CNC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224465	1	41	0.0	-56.61	346.96	2.79	-53.82
CC[NH+]1CCN(C2=CC=C(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020224466	0	56	0.0	-72.73	416.13	3.16	-69.57
CC[NH+]1CCN(C2=CC=C(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020224466	1	56	0.0	-72.72	416.20	3.17	-69.55
CC[NH+]1CCN(C2=CC=C(NC(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020224466	1	57	1.0	-83.63	421.02	5.79	-77.84
CC[NH+]1CCN(C2=CC=C(NC(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020224466	1	57	1.0	-83.47	421.23	5.74	-77.73
CN1C=C(CN2CCC(C3=N[N-]N=N3)C2)C(Br)=N1	REAL300020224467	0	31	-1.0	-46.05	268.05	0.63	-45.42
CN1C=C(CN2CCC(C3=NN=N[N-]3)C2)C(Br)=N1	REAL300020224467	1	31	-1.0	-46.06	268.12	0.64	-45.42
CN1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=N1	REAL300020224467	1	32	0.0	-49.53	282.78	3.93	-45.60
CN1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=N1	REAL300020224467	1	32	0.0	-45.43	272.16	3.42	-42.01
CCC(C(=O)NC1=CC=C(C)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224468	0	45	0.0	-56.37	345.86	5.97	-50.40
CCC(C(=O)NC1=CC=C(C)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224468	1	45	0.0	-45.82	343.79	6.01	-39.81
CCC(C(=O)NC1=CC=C(C)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224468	1	44	-1.0	-54.32	345.10	4.01	-50.31
CCC(C(=O)NC1=CC=C(C)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224468	1	44	-1.0	-54.33	345.16	4.03	-50.30
O=[N+]([O-])C1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224469	0	41	0.0	-57.25	338.61	6.64	-50.61
O=[N+]([O-])C1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224469	1	41	0.0	-58.39	338.11	6.69	-51.70
O=[N+]([O-])C1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224469	1	41	0.0	-57.17	338.54	6.64	-50.53
O=[N+]([O-])C1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224469	1	41	0.0	-58.34	338.04	6.69	-51.65
CCC(C(=O)N(C)C1=CC=C(C)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224470	0	48	0.0	-45.75	354.73	7.01	-38.74
CCC(C(=O)N(C)C1=CC=C(C)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224470	1	48	0.0	-43.10	356.81	7.20	-35.90
BrC1=CN=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224471	0	30	-1.0	-39.84	270.12	2.11	-37.73
BrC1=CN=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224471	1	31	0.0	-44.30	270.88	4.54	-39.76
BrC1=CN=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224471	1	31	0.0	-44.43	270.70	4.48	-39.95
BrC1=CN=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224471	1	30	-1.0	-39.85	270.20	2.11	-37.74
CCOC(=O)C1=NC=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224472	0	36	-1.0	-43.74	311.27	1.49	-42.25
CCOC(=O)C1=NC=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224472	1	36	-1.0	-43.73	311.34	1.50	-42.23
CCOC(=O)C1=NC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224472	1	37	0.0	-54.76	322.15	4.41	-50.35
CCOC(=O)C1=NC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224472	1	37	0.0	-53.84	321.20	4.46	-49.38
FC1(F)OC2=CC=CC(CC[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224473	0	38	0.0	-53.31	320.40	5.58	-47.73
FC1(F)OC2=CC=CC(CC[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020224473	1	38	0.0	-48.95	319.56	5.47	-43.48
FC1(F)OC2=CC=CC(CC[N@@H+]3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020224473	1	38	0.0	-53.28	320.32	5.57	-47.71
FC1(F)OC2=CC=CC(CC[N@H+]3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020224473	1	38	0.0	-48.91	319.50	5.45	-43.46
COC(=O)C(C1=CC=C(C#N)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224474	0	38	-1.0	-45.61	329.55	4.61	-41.00
COC(=O)C(C1=CC=C(C#N)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224474	1	38	-1.0	-45.61	329.61	4.63	-40.98
C1=CC=C2OC(C3=NC=CC(C[N@@H+]4CCC(C5=NN=N[N-]5)C4)=N3)CC2=C1	REAL300020224475	0	45	0.0	-54.88	363.97	6.27	-48.61
C1=CC=C2OC(C3=NC=CC(C[N@H+]4CCC(C5=NN=N[N-]5)C4)=N3)CC2=C1	REAL300020224475	1	45	0.0	-53.03	364.94	6.51	-46.52
C1=CC=C2OC(C3=NC=CC(CN4CCC(C5=N[N-]N=N5)C4)=N3)CC2=C1	REAL300020224475	1	44	-1.0	-45.53	362.56	3.92	-41.61
C1=CC=C2OC(C3=NC=CC(CN4CCC(C5=NN=N[N-]5)C4)=N3)CC2=C1	REAL300020224475	1	44	-1.0	-45.62	362.63	3.93	-41.69
CCOC(=O)C1=NC=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224476	0	36	-1.0	-43.74	311.27	1.49	-42.25
CCOC(=O)C1=NC=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224476	1	36	-1.0	-43.73	311.34	1.50	-42.23
CCOC(=O)C1=NC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224476	1	37	0.0	-54.76	322.15	4.41	-50.35
CCOC(=O)C1=NC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224476	1	37	0.0	-53.84	321.20	4.46	-49.38
CCOC(=O)C=CC1=CC=C(NC(=O)CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224477	0	48	-1.0	-49.87	395.12	4.41	-45.46
CCOC(=O)C=CC1=CC=C(NC(=O)CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224477	1	48	-1.0	-49.89	395.19	4.41	-45.48
CC1=CC=CC(Cl)=C1NC(=O)C(C)N1CCC(C2=N[N-]N=N2)C1	REAL300020224478	0	41	-1.0	-46.95	345.55	3.85	-43.10
CC1=CC=CC(Cl)=C1NC(=O)C(C)N1CCC(C2=NN=N[N-]2)C1	REAL300020224478	1	41	-1.0	-46.94	345.62	3.86	-43.08
COC1=CC2=CC=CC=C2C=C1C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020224479	0	46	-1.0	-53.83	374.92	0.93	-52.90
COC1=CC2=CC=CC=C2C=C1C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224479	1	46	-1.0	-53.81	374.99	0.95	-52.86
O=C1NC(CN2CCC(C3=N[N-]N=N3)C2)=NC2=C1COCC2	REAL300020224480	0	38	-1.0	-43.57	306.04	-0.02	-43.59
O=C1NC(CN2CCC(C3=NN=N[N-]3)C2)=NC2=C1COCC2	REAL300020224480	1	38	-1.0	-43.57	306.11	-0.02	-43.59
COC(=O)C=CC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224481	0	46	0.0	-53.99	370.91	7.37	-46.62
COC(=O)C=CC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224481	1	46	0.0	-53.15	374.16	7.29	-45.86
COC(=O)C=CC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224482	0	46	0.0	-53.99	370.91	7.37	-46.62
COC(=O)C=CC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224482	1	46	0.0	-53.15	374.16	7.29	-45.86
COC(=O)C1=CC=C(OC)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224483	0	42	0.0	-51.58	341.82	5.74	-45.84
COC(=O)C1=CC=C(OC)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224483	1	42	0.0	-46.53	339.50	5.63	-40.90
CN1C=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CS2)=N1	REAL300020224484	0	37	-1.0	-47.94	318.40	1.34	-46.60
CN1C=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=N1	REAL300020224484	1	38	0.0	-47.36	328.75	4.05	-43.31
CN1C=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CS2)=N1	REAL300020224484	1	38	0.0	-50.89	327.01	4.40	-46.49
CN1C=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CS2)=N1	REAL300020224484	1	37	-1.0	-47.95	318.47	1.36	-46.59
CN1C=CN2C(CN3CCC(C4=N[N-]N=N4)C3)=NN=C2C1=O	REAL300020224485	0	36	-1.0	-55.89	296.13	1.78	-54.11
CN1C=CN2C(CN3CCC(C4=NN=N[N-]4)C3)=NN=C2C1=O	REAL300020224485	1	36	-1.0	-55.91	296.21	1.80	-54.11
N#CC1=CC=CC(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020224486	0	39	0.0	-53.49	336.03	4.43	-49.06
N#CC1=CC=CC(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020224486	1	39	0.0	-50.71	336.80	4.49	-46.22
N#CC1=CC=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=CO2)=C1	REAL300020224486	1	38	-1.0	-44.25	326.99	1.95	-42.30
N#CC1=CC=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=CO2)=C1	REAL300020224486	1	38	-1.0	-44.25	327.07	1.97	-42.28
O=[N+]([O-])C1=CC(Cl)=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224487	0	33	-1.0	-46.36	293.81	5.09	-41.27
O=[N+]([O-])C1=CC(Cl)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224487	1	34	0.0	-45.69	295.86	6.79	-38.90
O=[N+]([O-])C1=CC(Cl)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224487	1	34	0.0	-48.30	296.06	6.84	-41.46
O=[N+]([O-])C1=CC(Cl)=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224487	1	33	-1.0	-46.36	293.88	5.09	-41.27
ClC1=CC2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C2C=C1	REAL300020224488	0	37	0.0	-45.71	316.89	6.39	-39.32
ClC1=CC2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC=C2C=C1	REAL300020224488	1	37	0.0	-45.97	316.57	6.58	-39.39
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224489	0	36	0.0	-53.59	319.33	4.41	-49.18
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224489	1	36	0.0	-53.42	315.84	4.59	-48.83
O[C@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224490	0	36	0.0	-53.69	315.71	4.59	-49.10
O[C@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224490	1	36	0.0	-53.81	318.84	4.28	-49.53
CC1=C(Br)SC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224491	0	30	-1.0	-36.94	283.43	1.48	-35.46
CC1=C(Br)SC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224491	1	30	-1.0	-36.94	283.50	1.50	-35.44
CC1=CC(Br)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224492	0	35	0.0	-47.85	294.26	6.86	-40.99
CC1=CC(Br)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224492	1	35	0.0	-47.80	294.18	6.87	-40.93
C1=CC=C(C2CCCC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020224493	0	46	0.0	-47.71	345.74	7.36	-40.35
C1=CC=C(C2CCCC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020224493	1	46	0.0	-45.65	346.43	7.43	-38.22
C(C1CCC2(CCOCC2)CO1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224494	0	47	0.0	-47.87	335.58	4.16	-43.71
C(C1CCC2(CCOCC2)CO1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224494	1	47	0.0	-47.47	333.58	4.48	-42.99
BrC1=CC=CC=C1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224495	0	35	0.0	-47.00	297.89	6.93	-40.07
BrC1=CC=CC=C1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224495	1	35	0.0	-45.60	297.18	6.91	-38.69
OC(CC(O)C1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224496	0	43	0.0	-50.07	336.08	2.94	-47.13
OC(CC(O)C1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224496	1	43	0.0	-49.97	334.92	3.14	-46.83
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224497	0	36	0.0	-53.59	319.33	4.41	-49.18
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224497	1	36	0.0	-53.42	315.84	4.59	-48.83
O[C@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224498	0	36	0.0	-53.69	315.71	4.59	-49.10
O[C@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020224498	1	36	0.0	-53.81	318.84	4.28	-49.53
COC(=O)C(C1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224499	0	40	-1.0	-39.75	334.85	4.33	-35.42
COC(=O)C(C1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224499	1	40	-1.0	-39.72	334.92	4.34	-35.38
COC(=O)C(C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224500	0	40	-1.0	-43.83	344.66	5.28	-38.55
COC(=O)C(C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224500	1	40	-1.0	-43.87	344.73	5.29	-38.58
ClC1=CC=CC(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=NO2)=C1Cl	REAL300020224501	0	36	-1.0	-43.97	328.77	2.84	-41.13
ClC1=CC=CC(C2=NC(CN3CCC(C4=N[N-]N=N4)C3)=NO2)=C1Cl	REAL300020224501	1	36	-1.0	-44.00	328.70	2.83	-41.17
OC(CN1CCC(C2=N[N-]N=N2)C1)C1=CC(Br)=NO1	REAL300020224502	0	31	-1.0	-40.87	284.78	-1.18	-42.05
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC(Br)=NO1	REAL300020224502	1	32	0.0	-55.91	284.20	1.58	-54.33
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC(Br)=NO1	REAL300020224502	1	32	0.0	-56.01	283.36	1.74	-54.27
OC(CN1CCC(C2=NN=N[N-]2)C1)C1=CC(Br)=NO1	REAL300020224502	1	31	-1.0	-40.90	284.85	-1.17	-42.07
OC1=CC=CC(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)=C1	REAL300020224503	0	37	-1.0	-43.68	319.07	-3.59	-47.27
OC1=CC=CC(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)=C1	REAL300020224503	1	37	-1.0	-43.65	319.14	-3.58	-47.23
OC1=CC=CC=C1C1=NN=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020224504	0	37	-1.0	-52.30	310.71	-3.34	-55.64
OC1=CC=CC=C1C1=NN=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224504	1	37	-1.0	-52.32	310.78	-3.32	-55.64
COC(=O)C1=C(NC(=O)C(C)N2CCC(C3=N[N-]N=N3)C2)C(C)=CS1	REAL300020224505	0	44	-1.0	-49.82	366.23	2.85	-46.97
COC(=O)C1=C(NC(=O)C(C)N2CCC(C3=NN=N[N-]3)C2)C(C)=CS1	REAL300020224505	1	44	-1.0	-49.83	366.31	2.86	-46.97
OC1=CC(C2=NN=C(CN3CCC(C4=N[N-]N=N4)C3)O2)=CC2=CC=CC=C12	REAL300020224506	0	43	-1.0	-42.31	364.52	-1.45	-43.76
OC1=CC(C2=NN=C(CN3CCC(C4=NN=N[N-]4)C3)O2)=CC2=CC=CC=C12	REAL300020224506	1	43	-1.0	-42.33	364.59	-1.43	-43.76
OC(CN1CCC(C2=N[N-]N=N2)C1)C1=CC(Br)=NO1	REAL300020224507	0	31	-1.0	-40.87	284.78	-1.18	-42.05
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC(Br)=NO1	REAL300020224507	1	32	0.0	-55.91	284.20	1.58	-54.33
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC(Br)=NO1	REAL300020224507	1	32	0.0	-56.01	283.36	1.74	-54.27
OC(CN1CCC(C2=NN=N[N-]2)C1)C1=CC(Br)=NO1	REAL300020224507	1	31	-1.0	-40.90	284.85	-1.17	-42.07
CC(C)(C)S(=O)(=O)CCCN1CCC(C2=N[N-]N=N2)C1	REAL300020224508	0	42	-1.0	-48.67	334.82	0.27	-48.40
CC(C)(C)S(=O)(=O)CCCN1CCC(C2=NN=N[N-]2)C1	REAL300020224508	1	42	-1.0	-48.71	334.89	0.28	-48.43
CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224508	1	43	0.0	-56.75	339.55	2.92	-53.83
CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224508	1	43	0.0	-57.57	339.69	3.02	-54.55
COC1=CC=C([N+](=O)[O-])C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224509	0	38	0.0	-51.27	314.15	5.70	-45.57
COC1=CC=C([N+](=O)[O-])C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224509	1	38	0.0	-50.67	315.99	5.64	-45.03
COC1=CC=C([N+](=O)[O-])C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224509	1	37	-1.0	-44.96	312.91	3.09	-41.87
COC1=CC=C([N+](=O)[O-])C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224509	1	37	-1.0	-44.95	312.98	3.10	-41.85
CC1=CC2=CC=C(C)C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020224510	0	44	0.0	-43.81	332.80	8.82	-34.99
CC1=CC2=CC=C(C)C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020224510	1	44	0.0	-43.49	333.01	8.79	-34.70
CC1=CC2=CC=C(C)C(C[N@@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020224510	1	44	0.0	-43.82	332.73	8.80	-35.02
CC1=CC2=CC=C(C)C(C[N@H+]3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020224510	1	44	0.0	-43.48	332.95	8.77	-34.71
O[C@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020224511	0	36	0.0	-50.70	306.31	4.18	-46.52
O[C@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020224511	1	36	0.0	-51.67	308.20	3.96	-47.71
COC1=CC=C2OC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2=C1	REAL300020224512	0	41	0.0	-47.62	323.48	4.91	-42.71
COC1=CC=C2OC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2=C1	REAL300020224512	1	41	0.0	-50.23	321.28	5.12	-45.11
ClC1=CC2=CC=CC=C2C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224513	0	38	0.0	-47.06	315.73	8.27	-38.79
ClC1=CC2=CC=CC=C2C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224513	1	38	0.0	-46.87	317.07	8.27	-38.60
C1=CC=C(CC2CC[NH+](CCCN3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020224514	0	56	0.0	-60.69	414.75	8.40	-52.29
C1=CC=C(CC2CC[NH+](CCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224514	1	57	1.0	-107.74	418.02	10.79	-96.95
C1=CC=C(CC2CC[NH+](CCC[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224514	1	57	1.0	-106.57	417.08	10.79	-95.78
C1=CC=C(CC2CC[NH+](CCCN3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020224514	1	56	0.0	-60.69	414.82	8.42	-52.27
BrC1=C(CN2CCC(C3=N[N-]N=N3)C2)SN=C1	REAL300020224515	0	27	-1.0	-38.42	249.57	0.94	-37.48
BrC1=C(CN2CCC(C3=NN=N[N-]3)C2)SN=C1	REAL300020224515	1	27	-1.0	-38.42	249.64	0.95	-37.47
BrC1=CN2N=C(CN3CCC(C4=N[N-]N=N4)C3)N=C2N=C1	REAL300020224516	0	32	-1.0	-45.12	288.63	3.48	-41.64
BrC1=CN2N=C(CN3CCC(C4=NN=N[N-]4)C3)N=C2N=C1	REAL300020224516	1	32	-1.0	-45.13	288.70	3.50	-41.63
CC(COCC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224517	0	45	0.0	-46.74	351.98	7.16	-39.58
CC(COCC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224517	1	45	0.0	-47.93	352.92	7.23	-40.70
CC(COCC1=CC=CC=C1)C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224517	1	45	0.0	-46.70	351.91	7.15	-39.55
CC(COCC1=CC=CC=C1)C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224517	1	45	0.0	-47.91	352.84	7.23	-40.68
COC(=O)C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020224518	0	41	0.0	-52.79	346.21	7.39	-45.40
COC(=O)C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020224518	1	41	0.0	-51.44	342.40	7.68	-43.76
COC(=O)C(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020224518	1	41	0.0	-52.73	346.14	7.38	-45.35
COC(=O)C(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020224518	1	41	0.0	-51.39	342.33	7.66	-43.73
COC(=O)C(C1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020224519	0	40	-1.0	-46.14	335.58	5.06	-41.08
COC(=O)C(C1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020224519	1	40	-1.0	-46.18	335.64	5.07	-41.11
BrC1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224520	0	30	-1.0	-39.29	264.88	1.52	-37.77
BrC1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224520	1	30	-1.0	-39.30	264.95	1.53	-37.77
BrC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C12	REAL300020224521	0	38	0.0	-49.70	319.94	8.32	-41.38
BrC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C12	REAL300020224521	1	38	0.0	-49.72	319.87	8.32	-41.40
CC(C)(C)OC(=O)N1CC2(C1)CC(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OC2=O	REAL300020224522	0	53	0.0	-66.42	412.66	6.04	-60.38
CC(C)(C)OC(=O)N1CC2(C1)CC(C[N@H+]1CCC(C3=NN=N[N-]3)C1)OC2=O	REAL300020224522	1	53	0.0	-62.19	411.96	5.95	-56.24
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224523	0	52	0.0	-50.96	389.90	6.30	-44.66
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224523	1	52	0.0	-52.66	383.42	6.04	-46.62
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224523	1	52	0.0	-50.93	389.84	6.29	-44.64
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224523	1	52	0.0	-52.61	383.34	6.04	-46.57
FC1(F)[C@@H](C[N@@H+]2CCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300020224524	0	39	0.0	-49.67	318.27	7.79	-41.88
FC1(F)[C@@H](C[N@H+]2CCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300020224524	1	39	0.0	-48.15	319.30	7.84	-40.31
FC1(F)[C@@H](C[N@@H+]2CCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300020224524	1	39	0.0	-49.71	318.20	7.78	-41.93
FC1(F)[C@@H](C[N@H+]2CCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300020224524	1	39	0.0	-48.10	319.23	7.83	-40.27
CCOC(=O)C1CCC(O)(CC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224525	0	55	0.0	-49.20	409.46	3.52	-45.68
CCOC(=O)C1CCC(O)(CC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224525	1	55	0.0	-53.41	409.90	3.94	-49.47
CCC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020224526	0	44	0.0	-43.40	332.05	8.84	-34.56
CCC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020224526	1	44	0.0	-42.67	328.97	8.83	-33.84
CCC1=C(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020224526	1	44	0.0	-43.38	331.98	8.82	-34.56
CCC1=C(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020224526	1	44	0.0	-42.60	328.90	8.82	-33.78
O[C@@H](C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020224527	0	36	0.0	-51.15	308.67	4.05	-47.10
O[C@@H](C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020224527	1	36	0.0	-51.82	304.15	4.30	-47.52
O=C(OCC1=CC=CC=C1)N1CCCC(O)(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224528	0	54	0.0	-48.23	412.60	6.26	-41.97
O=C(OCC1=CC=CC=C1)N1CCCC(O)(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224528	1	54	0.0	-53.14	412.80	6.15	-46.99
ClC1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020224529	0	31	-1.0	-37.59	290.11	4.17	-33.42
ClC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224529	1	32	0.0	-46.33	287.75	6.58	-39.75
ClC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224529	1	32	0.0	-49.28	290.53	6.62	-42.66
ClC1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224529	1	31	-1.0	-37.56	290.18	4.18	-33.38
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224530	0	52	0.0	-54.20	382.42	4.96	-49.24
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224530	1	52	0.0	-53.14	388.34	5.17	-47.97
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224530	1	52	0.0	-54.21	382.34	4.96	-49.25
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224530	1	52	0.0	-53.06	388.27	5.17	-47.89
BrC1=CC2=C(C=C1CN1CCC(C3=N[N-]N=N3)C1)OCO2	REAL300020224531	0	34	-1.0	-40.00	300.74	2.60	-37.40
BrC1=CC2=C(C=C1C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020224531	1	35	0.0	-46.99	300.31	4.87	-42.12
BrC1=CC2=C(C=C1C[N@H+]1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020224531	1	35	0.0	-48.24	301.34	4.82	-43.42
BrC1=CC2=C(C=C1CN1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020224531	1	34	-1.0	-40.03	300.81	2.61	-37.42
CC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CN=C1Br	REAL300020224532	0	33	-1.0	-40.31	281.39	1.86	-38.45
CC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020224532	1	33	-1.0	-40.34	281.46	1.87	-38.47
CC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020224532	1	34	0.0	-51.74	293.20	4.81	-46.93
CC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020224532	1	34	0.0	-51.87	290.01	4.78	-47.09
CN1N=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020224533	0	34	-1.0	-40.36	290.56	1.19	-39.17
CN1N=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020224533	1	34	-1.0	-40.41	290.63	1.21	-39.20
FC1=CC=CC=C1COC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224534	0	46	0.0	-49.09	372.88	8.98	-40.11
FC1=CC=CC=C1COC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224534	1	46	0.0	-49.02	371.15	8.98	-40.04
O=C1C2=CC=CC=C2C(=O)N1CCOCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224535	0	46	0.0	-45.63	375.39	5.64	-39.99
O=C1C2=CC=CC=C2C(=O)N1CCOCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224535	1	46	0.0	-48.59	379.27	5.49	-43.10
CC1=CN2C(=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC2=O)S1	REAL300020224536	0	37	0.0	-50.00	318.33	5.49	-44.51
CC1=CN2C(=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC2=O)S1	REAL300020224536	1	37	0.0	-50.93	315.69	5.88	-45.05
CC1=CN2C(=NC(CN3CCC(C4=N[N-]N=N4)C3)=CC2=O)S1	REAL300020224536	1	36	-1.0	-43.71	315.54	2.91	-40.80
CC1=CN2C(=NC(CN3CCC(C4=NN=N[N-]4)C3)=CC2=O)S1	REAL300020224536	1	36	-1.0	-43.73	315.61	2.92	-40.81
O=C1C2=CC=CC=C2C(=O)N1CC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020224537	0	44	-1.0	-45.99	389.29	3.37	-42.62
O=C1C2=CC=CC=C2C(=O)N1CC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224537	1	44	-1.0	-46.05	389.35	3.38	-42.67
O=C1C2=CC=CC=C2C(=O)N1CC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224537	1	45	0.0	-46.41	391.99	5.92	-40.49
O=C1C2=CC=CC=C2C(=O)N1CC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224537	1	45	0.0	-49.41	390.25	6.25	-43.16
FC1=CC=C(C(C2=CC=C(Cl)C=C2)[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224538	0	42	0.0	-51.27	352.75	9.82	-41.45
FC1=CC=C(C(C2=CC=C(Cl)C=C2)[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224538	1	42	0.0	-50.80	352.41	9.81	-40.99
COC(=O)C1=CC=C(Br)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224539	0	38	0.0	-45.92	329.95	6.89	-39.03
COC(=O)C1=CC=C(Br)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224539	1	38	0.0	-45.97	330.27	6.85	-39.12
COC(=O)C1=CC=C(Br)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224539	1	37	-1.0	-39.86	314.98	3.58	-36.28
COC(=O)C1=CC=C(Br)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224539	1	37	-1.0	-39.86	315.05	3.59	-36.27
CN1N=C(C(F)(F)F)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224540	0	34	-1.0	-37.88	298.57	1.58	-36.30
CN1N=C(C(F)(F)F)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224540	1	34	-1.0	-37.90	298.64	1.60	-36.30
CN1N=C(C(F)(F)F)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224540	1	35	0.0	-54.91	301.31	4.16	-50.75
CN1N=C(C(F)(F)F)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224540	1	35	0.0	-56.37	293.34	3.80	-52.57
CN1N=C(C(F)(F)F)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224541	0	34	-1.0	-37.88	298.57	1.58	-36.30
CN1N=C(C(F)(F)F)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224541	1	34	-1.0	-37.90	298.64	1.60	-36.30
CN1N=C(C(F)(F)F)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224541	1	35	0.0	-54.91	301.31	4.16	-50.75
CN1N=C(C(F)(F)F)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224541	1	35	0.0	-56.37	293.34	3.80	-52.57
CC(C)(C)NS(=O)(=O)C1(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020224542	0	53	0.0	-49.12	385.01	1.38	-47.74
CC(C)(C)NS(=O)(=O)C1(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020224542	1	53	0.0	-53.85	386.06	1.18	-52.67
CC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)C=C1I	REAL300020224543	0	38	0.0	-47.76	318.61	7.82	-39.94
CC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(C)C=C1I	REAL300020224543	1	38	0.0	-47.41	318.27	7.86	-39.55
CC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=C(C)C=C1I	REAL300020224543	1	37	-1.0	-38.85	304.86	4.53	-34.32
CC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=C(C)C=C1I	REAL300020224543	1	37	-1.0	-38.91	304.94	4.54	-34.37
C1=CC(N2CCOCC2)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224544	0	45	0.0	-47.84	341.89	4.37	-43.47
C1=CC(N2CCOCC2)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224544	1	45	0.0	-47.68	341.73	4.37	-43.31
OC(COC1=CC=C2C=CNC2=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224545	0	44	0.0	-54.21	351.08	3.03	-51.18
OC(COC1=CC=C2C=CNC2=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224545	1	44	0.0	-54.65	347.32	3.33	-51.32
CC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(F)(F)C(F)(F)F	REAL300020224546	0	35	0.0	-50.97	284.46	2.61	-48.36
CC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C(F)(F)C(F)(F)F	REAL300020224546	1	35	0.0	-50.66	285.29	2.49	-48.17
CC(O)(CN1CCC(C2=N[N-]N=N2)C1)C(F)(F)C(F)(F)F	REAL300020224546	1	34	-1.0	-36.57	281.97	1.53	-35.04
CC(O)(CN1CCC(C2=NN=N[N-]2)C1)C(F)(F)C(F)(F)F	REAL300020224546	1	34	-1.0	-36.58	282.05	1.55	-35.03
CCOC(=O)C(CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OCC	REAL300020224547	0	49	0.0	-47.46	390.24	7.47	-39.99
CCOC(=O)C(CCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C(=O)OCC	REAL300020224547	1	49	0.0	-47.53	390.27	7.43	-40.10
CCOC(=O)C(CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1)C(=O)OCC	REAL300020224547	1	49	0.0	-47.43	390.18	7.45	-39.98
CCOC(=O)C(CCC[N@H+]1CCC(C2=N[N-]N=N2)C1)C(=O)OCC	REAL300020224547	1	49	0.0	-47.46	390.20	7.42	-40.04
FC(F)(F)C1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=N1	REAL300020224548	0	33	-1.0	-40.48	307.04	2.80	-37.68
FC(F)(F)C1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=N1	REAL300020224548	1	33	-1.0	-40.50	307.10	2.80	-37.70
CCOC(=O)C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=NS1	REAL300020224549	0	35	-1.0	-42.36	313.83	0.86	-41.50
CCOC(=O)C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=NS1	REAL300020224549	1	35	-1.0	-42.37	313.90	0.86	-41.51
OC1(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CCC2(CC1)OCCO2	REAL300020224550	0	45	0.0	-45.80	325.27	2.39	-43.41
OC1(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CCC2(CC1)OCCO2	REAL300020224550	1	45	0.0	-47.35	325.80	2.27	-45.08
CCOC1=CC=CC=C1OCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224551	0	43	0.0	-47.76	336.87	6.25	-41.51
CCOC1=CC=CC=C1OCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224551	1	43	0.0	-50.39	338.44	6.09	-44.30
C#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224552	0	41	0.0	-55.32	341.03	5.78	-49.54
C#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224552	1	41	0.0	-60.55	341.78	5.91	-54.64
C#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224552	1	41	0.0	-55.31	340.96	5.78	-49.53
C#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224552	1	41	0.0	-60.48	341.70	5.91	-54.57
CC(C)(C)OC(=O)N1CCC2(COC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C2)CC1	REAL300020224553	0	60	0.0	-52.64	433.55	6.39	-46.25
CC(C)(C)OC(=O)N1CCC2(COC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C2)CC1	REAL300020224553	1	60	0.0	-52.17	431.97	6.77	-45.40
CC(C)(C)OC(=O)N1CCC1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224554	0	46	0.0	-43.16	348.28	5.21	-37.95
CC(C)(C)OC(=O)N1CCC1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224554	1	46	0.0	-53.93	353.55	5.04	-48.89
CC(C)(C)OC(=O)N1CCC1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224554	1	46	0.0	-43.18	348.20	5.20	-37.98
CC(C)(C)OC(=O)N1CCC1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224554	1	46	0.0	-53.93	353.49	5.03	-48.90
CC(C)(C)OC(=O)N1CCC2(COC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C2)C1	REAL300020224555	0	57	0.0	-50.03	422.94	5.70	-44.33
CC(C)(C)OC(=O)N1CCC2(COC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C2)C1	REAL300020224555	1	57	0.0	-51.55	424.05	5.75	-45.80
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)OC2C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224556	0	53	0.0	-62.96	407.48	5.80	-57.16
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)OC2C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224556	1	53	0.0	-64.72	404.36	5.87	-58.85
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)OC2C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224556	1	53	0.0	-62.89	407.41	5.78	-57.11
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)OC2C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224556	1	53	0.0	-64.69	404.29	5.86	-58.83
CC1CN(C(=O)CN2CCC(C3=N[N-]N=N3)C2)CC(C)(C)O1	REAL300020224557	0	45	-1.0	-43.05	341.73	1.83	-41.22
CC1CN(C(=O)CN2CCC(C3=NN=N[N-]3)C2)CC(C)(C)O1	REAL300020224557	1	45	-1.0	-43.05	341.81	1.83	-41.22
CC1CN(C(=O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC(C)(C)O1	REAL300020224557	1	46	0.0	-50.47	343.89	4.10	-46.37
CC1CN(C(=O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC(C)(C)O1	REAL300020224557	1	46	0.0	-47.16	344.48	4.19	-42.97
BrC1=CC=C(OCCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224558	0	42	0.0	-49.39	352.76	7.36	-42.03
BrC1=CC=C(OCCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224558	1	42	0.0	-51.65	353.45	7.48	-44.17
BrC1=CC=C(OCCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224558	1	42	0.0	-49.34	352.70	7.36	-41.98
BrC1=CC=C(OCCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224558	1	42	0.0	-51.61	353.38	7.48	-44.13
FC(F)(F)C1=CC=C(C#CCN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224559	0	36	-1.0	-38.31	321.94	5.61	-32.70
FC(F)(F)C1=CC=C(C#CCN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224559	1	36	-1.0	-38.31	322.01	5.62	-32.69
CCOC(=O)C(CCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224560	0	46	-1.0	-41.08	364.47	6.16	-34.92
CCOC(=O)C(CCC1=CC=CC=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224560	1	47	0.0	-47.02	369.36	8.76	-38.26
CCOC(=O)C(CCC1=CC=CC=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224560	1	47	0.0	-50.76	369.21	8.78	-41.98
CCOC(=O)C(CCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224560	1	46	-1.0	-41.08	364.54	6.18	-34.90
CC(C)(C)OC(=O)N1CCCCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224561	0	55	0.0	-45.30	397.25	7.70	-37.60
CC(C)(C)OC(=O)N1CCCCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224561	1	55	0.0	-53.16	397.80	7.69	-45.47
CC(C)(C)OC(=O)N1CCCCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224561	1	55	0.0	-45.27	397.18	7.70	-37.57
CC(C)(C)OC(=O)N1CCCCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224561	1	55	0.0	-53.14	397.73	7.68	-45.46
FC1=CC=C(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224562	0	36	0.0	-52.04	307.45	6.13	-45.91
FC1=CC=C(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224562	1	36	0.0	-50.04	310.36	5.87	-44.17
O[C@@H](CCOCC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224563	0	46	0.0	-48.85	364.05	4.26	-44.59
O[C@@H](CCOCC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224563	1	46	0.0	-49.85	366.23	4.06	-45.79
CC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224564	0	35	0.0	-39.87	294.39	6.75	-33.12
CC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224564	1	35	0.0	-40.30	291.29	6.72	-33.58
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020224565	0	43	0.0	-50.38	342.42	7.11	-43.27
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020224565	1	43	0.0	-53.67	348.99	6.64	-47.03
CC1=C(C(C)(C)C)SC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224566	0	43	0.0	-41.90	336.33	5.72	-36.18
CC1=C(C(C)(C)C)SC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224566	1	43	0.0	-44.54	335.12	5.62	-38.92
CC1=C(C(C)(C)C)SC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224566	1	42	-1.0	-39.29	333.69	3.11	-36.18
CC1=C(C(C)(C)C)SC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224566	1	42	-1.0	-39.28	333.75	3.13	-36.15
O=[N+]([O-])C1=CC=C(Br)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224567	0	33	-1.0	-38.60	288.34	3.58	-35.02
O=[N+]([O-])C1=CC=C(Br)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224567	1	33	-1.0	-38.62	288.41	3.60	-35.02
O=[N+]([O-])C1=CC=C(Br)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224567	1	34	0.0	-50.06	303.43	6.89	-43.17
O=[N+]([O-])C1=CC=C(Br)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224567	1	34	0.0	-50.02	303.64	6.82	-43.20
COC(=O)C1=CC(Br)=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020224568	0	41	-1.0	-44.99	342.50	3.47	-41.52
COC(=O)C1=CC(Br)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020224568	1	42	0.0	-54.53	357.11	6.90	-47.63
COC(=O)C1=CC(Br)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020224568	1	42	0.0	-49.97	357.02	6.92	-43.05
COC(=O)C1=CC(Br)=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020224568	1	41	-1.0	-45.05	342.57	3.48	-41.57
CC(C)(C)OC(=O)N1C2CCC1CC(CC[N@@H+]1CCC(C3=NN=N[N-]3)C1)C2	REAL300020224569	0	59	0.0	-59.64	410.97	7.85	-51.79
CC(C)(C)OC(=O)N1C2CCC1CC(CC[N@H+]1CCC(C3=NN=N[N-]3)C1)C2	REAL300020224569	1	59	0.0	-55.72	425.22	8.29	-47.43
CC(C)(C)OC(=O)N1C2CCC1CC(CC[N@@H+]1CCC(C3=N[N-]N=N3)C1)C2	REAL300020224569	1	59	0.0	-59.60	410.89	7.85	-51.75
CC(C)(C)OC(=O)N1C2CCC1CC(CC[N@H+]1CCC(C3=N[N-]N=N3)C1)C2	REAL300020224569	1	59	0.0	-55.66	425.15	8.29	-47.37
CC(C)(C)OC(=O)N(CCC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020224570	0	52	0.0	-51.06	390.20	7.03	-44.03
CC(C)(C)OC(=O)N(CCC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020224570	1	52	0.0	-50.92	389.55	7.09	-43.83
CC(C)(C)OC(=O)N(CCC[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020224570	1	52	0.0	-51.06	390.14	7.03	-44.03
CC(C)(C)OC(=O)N(CCC[N@H+]1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020224570	1	52	0.0	-50.88	389.48	7.08	-43.80
C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1C2CC3CC(C2)CC1C3	REAL300020224571	0	49	0.0	-48.56	335.36	8.12	-40.44
C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1C2CC3CC(C2)CC1C3	REAL300020224571	1	49	0.0	-48.57	335.40	8.12	-40.45
C(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1C2CC3CC(C2)CC1C3	REAL300020224571	1	49	0.0	-48.46	335.29	8.10	-40.36
C(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1C2CC3CC(C2)CC1C3	REAL300020224571	1	49	0.0	-48.56	335.33	8.11	-40.45
CC1(C)CC2=C(SC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C(C)(C)C1	REAL300020224572	0	50	0.0	-42.60	381.00	7.34	-35.26
CC1(C)CC2=C(SC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C(C)(C)C1	REAL300020224572	1	50	0.0	-41.90	378.61	7.28	-34.62
CC1(C)CC2=C(SC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C(C)(C)C1	REAL300020224572	1	49	-1.0	-39.40	378.94	4.74	-34.66
CC1(C)CC2=C(SC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C(C)(C)C1	REAL300020224572	1	49	-1.0	-39.39	379.00	4.76	-34.63
CC(C)(C)OC(=O)C1(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020224573	0	50	0.0	-47.68	370.40	7.88	-39.80
CC(C)(C)OC(=O)C1(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020224573	1	50	0.0	-48.16	370.09	7.82	-40.34
CC(C)(C)OC(=O)C1(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020224573	1	50	0.0	-47.65	370.34	7.86	-39.79
CC(C)(C)OC(=O)C1(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020224573	1	50	0.0	-48.14	370.02	7.82	-40.32
BrC1=CC=C(C=CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224574	0	36	0.0	-49.90	312.41	7.59	-42.31
BrC1=CC=C(C=CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224574	1	36	0.0	-50.38	311.01	7.62	-42.76
FC(F)(F)CN1C=CC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224575	0	34	-1.0	-40.67	291.81	1.89	-38.78
FC(F)(F)CN1C=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224575	1	35	0.0	-50.95	301.73	4.68	-46.27
FC(F)(F)CN1C=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224575	1	35	0.0	-46.25	301.53	4.69	-41.56
FC(F)(F)CN1C=CC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224575	1	34	-1.0	-40.66	291.89	1.91	-38.75
FC1=CC=C(SCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224576	0	36	0.0	-56.02	311.70	7.04	-48.98
FC1=CC=C(SCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020224576	1	36	0.0	-52.33	310.95	6.95	-45.38
BrC1=CC=CC=C1CC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224577	0	35	0.0	-47.00	297.89	6.93	-40.07
BrC1=CC=CC=C1CC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224577	1	35	0.0	-45.60	297.18	6.91	-38.69
BrCC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020224578	0	44	0.0	-47.98	330.22	7.54	-40.44
BrCC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020224578	1	44	0.0	-46.22	322.76	7.23	-38.99
BrCC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020224578	1	44	0.0	-47.95	330.15	7.53	-40.42
BrCC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020224578	1	44	0.0	-46.19	322.69	7.23	-38.96
CC(C)(C)OC(=O)N1CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C1	REAL300020224579	0	50	-1.0	-40.82	403.81	0.91	-39.91
CC(C)(C)OC(=O)N1CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C1	REAL300020224579	1	50	-1.0	-40.85	403.88	0.93	-39.92
C(CCCCC1CC1)CCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224580	0	53	0.0	-44.28	402.15	10.37	-33.91
C(CCCCC1CC1)CCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224580	1	53	0.0	-45.96	402.88	10.50	-35.46
C(CCCCC1CC1)CCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224580	1	53	0.0	-44.25	402.09	10.36	-33.89
C(CCCCC1CC1)CCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224580	1	53	0.0	-45.90	402.81	10.50	-35.40
O=C1C2=CC=CC=C2C(=O)N1[C@H]1CO[C@H](C[N@@H+]2CCC(C3=NN=N[N-]3)C2)OC1	REAL300020224581	0	48	0.0	-46.02	380.47	5.10	-40.92
O=C1C2=CC=CC=C2C(=O)N1[C@H]1CO[C@H](C[N@H+]2CCC(C3=NN=N[N-]3)C2)OC1	REAL300020224581	1	48	0.0	-47.96	379.48	5.13	-42.83
O=C1C2=CC=CC=C2C(=O)N1[C@H]1CO[C@H](CN2CCC(C3=N[N-]N=N3)C2)OC1	REAL300020224581	1	47	-1.0	-48.92	376.21	2.53	-46.39
O=C1C2=CC=CC=C2C(=O)N1[C@H]1CO[C@H](CN2CCC(C3=NN=N[N-]3)C2)OC1	REAL300020224581	1	47	-1.0	-48.96	376.28	2.55	-46.41
CC1=CC=C(C)C(NC(=O)NC(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224582	0	45	-1.0	-49.57	365.41	3.41	-46.16
CC1=CC=C(C)C(NC(=O)NC(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224582	1	45	-1.0	-49.53	365.49	3.41	-46.12
CC(C)(C)OCC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020224583	0	43	-1.0	-40.08	352.87	1.90	-38.18
CC(C)(C)OCC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224583	1	43	-1.0	-40.10	352.94	1.92	-38.18
CC(C)(C)OCC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224583	1	44	0.0	-42.41	355.58	4.45	-37.96
CC(C)(C)OCC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224583	1	44	0.0	-44.05	354.78	4.61	-39.44
C=CCC1=CC(C)=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020224584	0	52	0.0	-49.27	402.30	9.21	-40.06
C=CCC1=CC(C)=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020224584	1	52	0.0	-48.83	401.79	9.20	-39.63
C=CCC1=CC(C)=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020224584	1	52	0.0	-49.23	402.23	9.20	-40.03
C=CCC1=CC(C)=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020224584	1	52	0.0	-48.75	401.73	9.18	-39.57
CC(C)(C)OC(=O)C1(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CCOC1	REAL300020224585	0	51	0.0	-52.36	379.35	5.92	-46.44
CC(C)(C)OC(=O)C1(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)CCOC1	REAL300020224585	1	51	0.0	-45.67	378.58	5.81	-39.86
CC(C)(C)OC(=O)C1(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CCOC1	REAL300020224585	1	51	0.0	-52.33	379.28	5.92	-46.41
CC(C)(C)OC(=O)C1(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)CCOC1	REAL300020224585	1	51	0.0	-45.62	378.52	5.79	-39.83
CC(C)(C)NS(=O)(=O)CCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224586	0	49	0.0	-57.02	377.24	-0.81	-57.83
CC(C)(C)NS(=O)(=O)CCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224586	1	49	0.0	-57.03	376.80	-0.85	-57.88
CC(C)(C)NS(=O)(=O)CCC(O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224586	1	48	-1.0	-45.02	375.08	-3.28	-48.30
COC(=O)C1=CC(Cl)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224587	0	38	0.0	-51.70	329.97	6.70	-45.00
COC(=O)C1=CC(Cl)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224587	1	38	0.0	-50.60	327.02	6.72	-43.88
COC(=O)C1=CC(Cl)=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224587	1	37	-1.0	-41.03	326.99	4.27	-36.76
COC(=O)C1=CC(Cl)=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224587	1	37	-1.0	-41.06	327.05	4.27	-36.79
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224588	0	42	-1.0	-49.36	338.47	-0.89	-50.25
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224588	1	42	-1.0	-49.36	338.54	-0.87	-50.23
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224588	1	43	0.0	-65.02	342.73	1.29	-63.73
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224588	1	43	0.0	-54.66	341.00	1.32	-53.34
CC(C1=CC=CC(OC(F)(F)F)=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224589	0	39	0.0	-46.17	318.66	5.99	-40.18
CC(C1=CC=CC(OC(F)(F)F)=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224589	1	39	0.0	-49.57	319.97	5.99	-43.58
C(C1CCC2(CCCCCC2)O1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224590	0	49	0.0	-44.86	346.89	7.08	-37.78
C(C1CCC2(CCCCCC2)O1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224590	1	49	0.0	-43.91	343.59	7.24	-36.67
CCC(C1=CC=C(C(F)(F)F)C=C1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224591	0	41	0.0	-47.14	324.58	7.61	-39.53
CCC(C1=CC=C(C(F)(F)F)C=C1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224591	1	41	0.0	-46.67	331.36	7.79	-38.88
CCC(C1=CC=C(C(F)(F)F)C=C1)[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224591	1	41	0.0	-47.04	324.51	7.60	-39.44
CCC(C1=CC=C(C(F)(F)F)C=C1)[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224591	1	41	0.0	-46.58	331.30	7.78	-38.80
FC(F)(F)C1CCCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224592	0	39	0.0	-47.61	309.40	5.23	-42.38
FC(F)(F)C1CCCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224592	1	39	0.0	-47.16	311.45	4.98	-42.18
C1=CC(N2CCOCC2)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224593	0	45	0.0	-47.84	341.89	4.37	-43.47
C1=CC(N2CCOCC2)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224593	1	45	0.0	-47.68	341.73	4.37	-43.31
C(C1CC2(CC3(C2)OCCO3)CO1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224594	0	46	0.0	-45.74	346.70	3.77	-41.97
C(C1CC2(CC3(C2)OCCO3)CO1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224594	1	46	0.0	-45.14	346.50	3.79	-41.35
O=[N+]([O-])C1=CC=CC(Br)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224595	0	33	-1.0	-47.91	289.94	4.40	-43.51
O=[N+]([O-])C1=CC=CC(Br)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224595	1	33	-1.0	-47.95	290.00	4.41	-43.54
O=[N+]([O-])C1=CC=CC(Br)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224595	1	34	0.0	-40.37	292.44	6.61	-33.76
O=[N+]([O-])C1=CC=CC(Br)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224595	1	34	0.0	-40.26	290.91	6.69	-33.57
COC1=CC=C(F)C=C1C1=CN=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224596	0	45	0.0	-51.71	365.83	6.78	-44.93
COC1=CC=C(F)C=C1C1=CN=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224596	1	45	0.0	-50.27	365.07	6.84	-43.43
BrC1=CN=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224597	0	27	-1.0	-37.63	261.71	0.91	-36.72
BrC1=CN=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224597	1	27	-1.0	-37.65	261.77	0.92	-36.73
CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020224598	0	44	-1.0	-50.88	359.73	1.56	-49.32
CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224598	1	44	-1.0	-50.87	359.79	1.58	-49.29
CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224599	0	51	0.0	-53.02	370.06	5.46	-47.56
CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224599	1	51	0.0	-52.09	370.84	5.43	-46.66
CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224599	1	51	0.0	-52.99	369.99	5.45	-47.54
CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224599	1	51	0.0	-52.10	370.77	5.41	-46.69
C[C@@H]1CN(CC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C[C@H](C)O1	REAL300020224600	0	48	0.0	-49.26	361.10	0.26	-49.00
C[C@@H]1CN(CC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C[C@H](C)O1	REAL300020224600	1	48	0.0	-49.42	355.46	0.39	-49.03
BrCC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCC1	REAL300020224601	0	38	0.0	-41.69	296.42	6.67	-35.02
BrCC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCC1	REAL300020224601	1	38	0.0	-40.74	296.96	6.78	-33.96
BrCC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1CCC1	REAL300020224601	1	38	0.0	-41.63	296.36	6.67	-34.96
BrCC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1CCC1	REAL300020224601	1	38	0.0	-40.69	296.89	6.78	-33.91
CN1N=NC(Br)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224602	0	30	-1.0	-40.28	267.79	-0.33	-40.61
CN1N=NC(Br)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224602	1	30	-1.0	-40.28	267.86	-0.31	-40.59
CC1=CC=C(N2N=NN=C2CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224603	0	39	-1.0	-39.84	323.95	3.59	-36.25
CC1=CC=C(N2N=NN=C2CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224603	1	39	-1.0	-39.86	324.02	3.61	-36.25
O=S1(=O)CCC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224604	0	42	0.0	-61.54	331.61	1.75	-59.79
O=S1(=O)CCC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224604	1	42	0.0	-61.12	333.31	1.46	-59.66
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(F)C=C1	REAL300020224605	0	43	0.0	-55.59	340.09	6.74	-48.85
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(F)C=C1	REAL300020224605	1	43	0.0	-55.70	340.02	6.74	-48.96
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCCN1C1=CC=C(F)C=C1	REAL300020224605	1	42	-1.0	-48.61	332.43	4.13	-44.48
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(F)C=C1	REAL300020224605	1	42	-1.0	-48.60	332.51	4.15	-44.45
CSC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224606	0	36	0.0	-52.20	313.10	7.00	-45.20
CSC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224606	1	36	0.0	-52.19	313.30	7.02	-45.17
CSC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020224606	1	35	-1.0	-39.25	302.00	4.11	-35.14
CCOC(=O)C1=C(CN2CCC(C3=N[N-]N=N3)C2)OC=C1C(F)(F)F	REAL300020224607	0	40	-1.0	-44.28	344.06	3.58	-40.70
CCOC(=O)C1=C(CN2CCC(C3=NN=N[N-]3)C2)OC=C1C(F)(F)F	REAL300020224607	1	40	-1.0	-44.29	344.14	3.59	-40.70
CCC1=CC=C([N+](=O)[O-])C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224608	0	40	0.0	-51.99	317.82	7.57	-44.42
CCC1=CC=C([N+](=O)[O-])C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224608	1	40	0.0	-51.49	321.16	7.59	-43.90
OC(CSC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224609	0	40	0.0	-51.64	329.85	4.40	-47.24
OC(CSC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224609	1	40	0.0	-52.04	329.69	4.46	-47.58
CCOC(=O)C1=CSC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224610	0	36	-1.0	-46.47	311.39	1.57	-44.90
CCOC(=O)C1=CSC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224610	1	36	-1.0	-46.47	311.47	1.59	-44.88
OC(CCC(O)C1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224611	0	46	0.0	-48.36	361.44	2.42	-45.94
OC(CCC(O)C1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224611	1	46	0.0	-50.01	361.03	2.43	-47.58
O=C(CN1CCC(C2=N[N-]N=N2)C1)N1CCO[C@@H]2CCCC[C@@H]21	REAL300020224612	0	46	-1.0	-44.81	339.66	1.87	-42.94
O=C(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)N1CCO[C@@H]2CCCC[C@@H]21	REAL300020224612	1	47	0.0	-46.90	345.02	4.57	-42.33
O=C(C[N@H+]1CCC(C2=NN=N[N-]2)C1)N1CCO[C@@H]2CCCC[C@@H]21	REAL300020224612	1	47	0.0	-46.80	345.21	4.58	-42.22
O=C(CN1CCC(C2=NN=N[N-]2)C1)N1CCO[C@@H]2CCCC[C@@H]21	REAL300020224612	1	46	-1.0	-44.85	339.72	1.89	-42.96
C(C1=NOC(N2CCOCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224613	0	39	-1.0	-39.99	316.85	-2.70	-42.69
C(C1=NOC(N2CCOCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224613	1	39	-1.0	-40.00	316.91	-2.68	-42.68
N#CC1=C2NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N2N=C1	REAL300020224614	0	36	0.0	-71.53	311.69	3.85	-67.68
N#CC1=C2NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=CC(=O)N2N=C1	REAL300020224614	1	36	0.0	-69.27	307.24	4.08	-65.19
N#CC1=C2NC(CN3CCC(C4=NN=N[N-]4)C3)=CC(=O)N2N=C1	REAL300020224614	1	35	-1.0	-47.91	303.72	1.56	-46.35
ClC1=NC(Cl)=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224615	0	27	-1.0	-37.30	267.68	1.15	-36.15
ClC1=NC(Cl)=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224615	1	27	-1.0	-37.30	267.61	1.15	-36.15
CC(C)(C)OC(=O)NCC(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020224616	0	43	-1.0	-44.76	340.46	-0.03	-44.79
CC(C)(C)OC(=O)NCC(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224616	1	43	-1.0	-44.77	340.53	-0.02	-44.79
FC(F)COCC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020224617	0	37	-1.0	-45.09	331.58	1.07	-44.02
FC(F)COCC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224617	1	37	-1.0	-45.05	331.64	1.09	-43.96
FC(F)COCC1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224617	1	38	0.0	-46.40	334.25	3.62	-42.78
FC(F)COCC1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224617	1	38	0.0	-48.24	333.51	3.78	-44.46
O=C1CCC2=CC=C(OCCCC[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020224618	0	50	0.0	-54.51	391.30	5.93	-48.58
O=C1CCC2=CC=C(OCCCC[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020224618	1	50	0.0	-56.66	391.73	5.96	-50.70
O=C1CCC2=CC=C(OCCCC[N@@H+]3CCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020224618	1	50	0.0	-54.47	391.23	5.93	-48.54
O=C1CCC2=CC=C(OCCCC[N@H+]3CCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020224618	1	50	0.0	-56.63	391.67	5.95	-50.68
C1=C(CN2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC3=CC=CC=C3O2)S1	REAL300020224619	0	40	-1.0	-49.08	350.30	4.47	-44.61
C1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=CC=CC=C3O2)S1	REAL300020224619	1	40	-1.0	-49.11	350.37	4.48	-44.63
C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=CC=CC=C3O2)S1	REAL300020224619	1	41	0.0	-47.08	353.51	6.82	-40.26
C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=CC=CC=C3O2)S1	REAL300020224619	1	41	0.0	-51.03	351.77	7.16	-43.87
COC(=O)C1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020224620	0	41	0.0	-52.30	329.51	6.77	-45.53
COC(=O)C1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020224620	1	41	0.0	-52.94	327.98	6.81	-46.13
C(#CC1=CN(C2=CC=CC=C2)N=C1)CN1CCC(C2=N[N-]N=N2)C1	REAL300020224621	0	40	-1.0	-44.57	342.05	5.70	-38.87
C(#CC1=CN(C2=CC=CC=C2)N=C1)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224621	1	40	-1.0	-44.59	342.11	5.71	-38.88
O=C(NCC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020224622	0	47	0.0	-54.86	382.83	1.98	-52.88
O=C(NCC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020224622	1	47	0.0	-55.41	379.56	2.31	-53.10
ClC1=CC=CC(C#CCN2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020224623	0	33	-1.0	-40.14	313.84	5.51	-34.63
ClC1=CC=CC(C#CCN2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224623	1	33	-1.0	-40.13	313.91	5.53	-34.60
COCCOC1=CC=CC(C#CCN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224624	0	44	-1.0	-44.21	368.34	3.98	-40.23
COCCOC1=CC=CC(C#CCN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224624	1	44	-1.0	-44.26	368.41	4.00	-40.26
CC1=C(Br)C(CN2CCC(C3=N[N-]N=N3)C2)=NN1C	REAL300020224625	0	34	-1.0	-42.07	298.67	1.99	-40.08
CC1=C(Br)C(CN2CCC(C3=NN=N[N-]3)C2)=NN1C	REAL300020224625	1	34	-1.0	-42.06	298.74	2.00	-40.06
ClC1=CC=C(COC2=CC=C(C#CCN3CCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020224626	0	47	-1.0	-75.86	434.18	9.64	-66.22
ClC1=CC=C(COC2=CC=C(C#CCN3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020224626	1	47	-1.0	-75.86	434.25	9.65	-66.21
COC(=O)C(C1=CC=C(F)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224627	0	37	-1.0	-47.05	323.93	4.12	-42.93
COC(=O)C(C1=CC=C(F)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224627	1	37	-1.0	-47.05	324.00	4.14	-42.91
COC(=O)C(C1=CC=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020224628	0	37	-1.0	-38.00	322.52	4.80	-33.20
COC(=O)C(C1=CC=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020224628	1	37	-1.0	-38.02	322.59	4.81	-33.21
FC1=CC(Br)=CC=C1OCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224629	0	39	0.0	-52.22	337.65	6.67	-45.55
FC1=CC(Br)=CC=C1OCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224629	1	39	0.0	-52.26	336.95	6.73	-45.53
FC1=CC(Br)=CC=C1OCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224629	1	39	0.0	-52.20	337.58	6.66	-45.54
FC1=CC(Br)=CC=C1OCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224629	1	39	0.0	-52.22	336.88	6.72	-45.50
BrC1=CC=CN2C=C(CN3CCC(C4=N[N-]N=N4)C3)N=C12	REAL300020224630	0	34	-1.0	-44.87	305.07	4.10	-40.77
BrC1=CC=CN2C=C(CN3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020224630	1	34	-1.0	-44.89	305.14	4.11	-40.78
COC(=O)C1=CC=CN2C=C(CN3CCC(C4=N[N-]N=N4)C3)N=C12	REAL300020224631	0	40	-1.0	-47.79	338.65	4.36	-43.43
COC(=O)C1=CC=CN2C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020224631	1	41	0.0	-51.13	341.41	6.91	-44.22
COC(=O)C1=CC=CN2C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020224631	1	41	0.0	-51.04	341.28	7.01	-44.03
COC(=O)C1=CC=CN2C=C(CN3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020224631	1	40	-1.0	-47.78	338.72	4.37	-43.41
COC(=O)C1(C2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020224632	0	45	0.0	-50.65	356.25	8.17	-42.48
COC(=O)C1(C2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020224632	1	45	0.0	-51.58	356.09	8.14	-43.44
CCN1C=C(Br)C(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224633	0	34	-1.0	-41.50	302.31	2.22	-39.28
CCN1C=C(Br)C(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224633	1	34	-1.0	-41.48	302.38	2.23	-39.25
BrCC1(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300020224634	0	42	0.0	-45.70	323.26	7.41	-38.29
BrCC1(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300020224634	1	42	0.0	-45.95	324.70	7.46	-38.49
BrCC1(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300020224634	1	42	0.0	-45.69	323.19	7.39	-38.30
BrCC1(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300020224634	1	42	0.0	-45.92	324.63	7.44	-38.48
COC(=O)C1=CC(CN2CCC(C3=N[N-]N=N3)C2)=C(Cl)S1	REAL300020224635	0	34	-1.0	-39.29	318.85	3.32	-35.97
COC(=O)C1=CC(CN2CCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020224635	1	34	-1.0	-39.30	318.92	3.34	-35.96
COC(=O)C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020224635	1	35	0.0	-47.51	319.65	5.93	-41.58
COC(=O)C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C(Cl)S1	REAL300020224635	1	35	0.0	-50.38	320.12	5.92	-44.46
BrC1=CSC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224636	0	29	0.0	-45.23	270.47	5.32	-39.91
BrC1=CSC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224636	1	29	0.0	-45.52	268.28	5.35	-40.17
BrC1=CSC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224636	1	28	-1.0	-37.09	267.50	2.96	-34.13
BrC1=CSC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224636	1	28	-1.0	-37.14	267.57	2.97	-34.17
BrCC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL300020224637	0	42	0.0	-49.22	320.95	5.12	-44.10
BrCC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL300020224637	1	42	0.0	-45.75	316.63	4.85	-40.90
BrCC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL300020224637	1	42	0.0	-49.19	320.88	5.11	-44.08
BrCC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL300020224637	1	42	0.0	-45.71	316.57	4.83	-40.88
COC(=O)C(C1=CC=CC(C)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224638	0	40	-1.0	-38.64	317.20	3.98	-34.66
COC(=O)C(C1=CC=CC(C)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224638	1	40	-1.0	-38.67	317.27	4.00	-34.67
BrC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020224639	0	31	-1.0	-39.07	296.02	4.57	-34.50
BrC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224639	1	31	-1.0	-39.06	296.10	4.57	-34.49
BrC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224639	1	32	0.0	-46.92	294.14	6.74	-40.18
BrC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224639	1	32	0.0	-48.25	296.91	6.77	-41.48
CC(=O)C1=CC=C(OCC#CCN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224640	0	42	-1.0	-45.22	351.52	4.46	-40.76
CC(=O)C1=CC=C(OCC#CCN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224640	1	42	-1.0	-45.19	351.60	4.47	-40.72
BrC1=CC=CC(Br)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224641	0	31	-1.0	-38.62	286.57	3.98	-34.64
BrC1=CC=CC(Br)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224641	1	31	-1.0	-38.60	286.64	4.00	-34.60
BrC1=CC=CC(Br)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224641	1	32	0.0	-38.12	288.12	6.54	-31.58
BrC1=CC=CC(Br)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224641	1	32	0.0	-37.40	288.40	6.44	-30.96
C(#CC1=CC=C(OCCC2=CC=CC=C2)C=C1)CN1CCC(C2=N[N-]N=N2)C1	REAL300020224642	0	50	-1.0	-40.16	415.97	8.66	-31.50
C(#CC1=CC=C(OCCC2=CC=CC=C2)C=C1)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224642	1	50	-1.0	-40.20	416.05	8.68	-31.52
FC(F)(F)OC1=CC=CC(CCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224643	0	42	0.0	-50.00	348.05	6.97	-43.03
FC(F)(F)OC1=CC=CC(CCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224643	1	42	0.0	-50.81	347.49	6.97	-43.84
FC(F)(F)OC1=CC=CC(CCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224643	1	42	0.0	-49.99	347.98	6.96	-43.03
FC(F)(F)OC1=CC=CC(CCC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224643	1	42	0.0	-50.77	347.43	6.95	-43.82
C1=CC(OCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020224644	0	39	0.0	-53.94	310.92	4.20	-49.74
C1=CC(OCC[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCO2	REAL300020224644	1	39	0.0	-55.61	313.40	3.95	-51.66
BrC1=CC=C2OCC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020224645	0	37	0.0	-53.45	307.81	5.80	-47.65
BrC1=CC=C2OCC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020224645	1	37	0.0	-52.43	311.49	6.12	-46.31
C1=C(C2=CC=C3C=CC=CC3=C2)ON=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224646	0	44	0.0	-46.39	360.67	8.94	-37.45
C1=C(C2=CC=C3C=CC=CC3=C2)ON=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224646	1	44	0.0	-49.35	358.88	9.09	-40.26
C1=C(C2=CC=C3C=CC=CC3=C2)ON=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224646	1	43	-1.0	-44.18	357.35	6.57	-37.61
C1=C(C2=CC=C3C=CC=CC3=C2)ON=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224646	1	43	-1.0	-44.15	357.43	6.58	-37.57
CC1=CC=CC(N2CCCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020224647	0	46	0.0	-43.54	354.82	7.24	-36.30
CC1=CC=CC(N2CCCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020224647	1	46	0.0	-54.85	353.66	7.28	-47.57
CC1=CC=CC(N2CCCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020224647	1	45	-1.0	-42.26	352.86	4.88	-37.38
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(Cl)C(Cl)=C1	REAL300020224648	0	43	0.0	-46.26	365.82	7.63	-38.63
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(Cl)C(Cl)=C1	REAL300020224648	1	43	0.0	-57.82	364.17	7.59	-50.23
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCCN1C1=CC=C(Cl)C(Cl)=C1	REAL300020224648	1	42	-1.0	-48.54	357.90	5.06	-43.48
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(Cl)C(Cl)=C1	REAL300020224648	1	42	-1.0	-48.51	357.97	5.08	-43.43
OC(CCC1=CC=NC2=CC=CC=C12)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224649	0	47	0.0	-55.33	370.79	5.11	-50.22
OC(CCC1=CC=NC2=CC=CC=C12)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224649	1	47	0.0	-55.19	370.93	5.07	-50.12
CC(C)(C)OC(=O)N1CCCC(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224650	0	56	0.0	-50.75	412.24	4.08	-46.67
CC(C)(C)OC(=O)N1CCCC(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224650	1	56	0.0	-48.96	406.63	4.53	-44.43
CC(C)(C)OC(=O)N1CC2(C1)CCOC2C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224651	0	54	0.0	-56.12	403.05	4.91	-51.21
CC(C)(C)OC(=O)N1CC2(C1)CCOC2C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224651	1	54	0.0	-54.61	405.16	4.78	-49.83
CC(C)(C)OC(=O)N1CC2(C1)CCOC2C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224651	1	54	0.0	-56.02	402.98	4.90	-51.12
CC(C)(C)OC(=O)N1CC2(C1)CCOC2C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224651	1	54	0.0	-54.62	405.09	4.77	-49.85
CS(=O)(=O)C1=C(CN2CCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020224652	0	34	-1.0	-44.03	300.95	0.91	-43.12
CS(=O)(=O)C1=C(CN2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020224652	1	34	-1.0	-44.03	301.01	0.92	-43.11
FC1=CC=C(Br)C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224653	0	35	0.0	-49.24	303.08	6.90	-42.34
FC1=CC=C(Br)C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224653	1	35	0.0	-49.36	302.06	6.95	-42.41
CC(C)(C)OC(=O)N1CCC2(CCCC2C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224654	0	62	0.0	-52.41	434.48	8.43	-43.98
CC(C)(C)OC(=O)N1CCC2(CCCC2C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224654	1	62	0.0	-54.72	435.22	8.46	-46.26
CC(C)(C)OC(=O)N1CCC2(CCCC2C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224654	1	62	0.0	-52.36	434.41	8.42	-43.94
CC(C)(C)OC(=O)N1CCC2(CCCC2C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224654	1	62	0.0	-54.62	435.15	8.45	-46.17
O=C1NC2=CC(F)=CC=C2C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224655	0	38	0.0	-57.34	315.41	4.69	-52.65
O=C1NC2=CC(F)=CC=C2C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224655	1	38	0.0	-46.28	310.32	4.64	-41.64
C(C1=NC2=C(CCCCC2)S1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224656	0	41	0.0	-43.82	325.77	5.95	-37.87
C(C1=NC2=C(CCCCC2)S1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224656	1	41	0.0	-44.93	324.32	5.89	-39.04
C(C1=NC2=C(CCCCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224656	1	40	-1.0	-39.55	322.89	3.36	-36.19
C(C1=NC2=C(CCCCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224656	1	40	-1.0	-39.59	322.95	3.37	-36.22
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020224657	0	46	0.0	-49.95	359.18	6.96	-42.99
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020224657	1	46	0.0	-51.05	357.99	7.13	-43.92
C1=CC=C(N2C(CN3CCC(C4=N[N-]N=N4)C3)=NN=C2C2CC2)C=C1	REAL300020224658	0	44	-1.0	-42.85	364.22	6.95	-35.90
C1=CC=C(N2C(CN3CCC(C4=NN=N[N-]4)C3)=NN=C2C2CC2)C=C1	REAL300020224658	1	44	-1.0	-42.83	364.29	6.95	-35.88
C1=CC=C(N2C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NN=C2C2CC2)C=C1	REAL300020224658	1	45	0.0	-45.30	358.67	8.80	-36.50
C1=CC=C(N2C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NN=C2C2CC2)C=C1	REAL300020224658	1	45	0.0	-44.26	366.75	9.28	-34.98
CCN1N=CC(Br)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224659	0	34	-1.0	-41.88	293.52	1.90	-39.98
CCN1N=CC(Br)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224659	1	34	-1.0	-41.89	293.58	1.91	-39.98
CCN1N=CC(Br)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224659	1	35	0.0	-43.86	294.94	4.51	-39.35
CCN1N=CC(Br)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224659	1	35	0.0	-47.10	296.13	4.54	-42.56
COC(=O)C(C1=CC=C(F)C=C1C)N1CCC(C2=N[N-]N=N2)C1	REAL300020224660	0	40	-1.0	-43.66	321.27	4.91	-38.75
COC(=O)C(C1=CC=C(F)C=C1C)N1CCC(C2=NN=N[N-]2)C1	REAL300020224660	1	40	-1.0	-43.70	321.34	4.92	-38.78
CC1=CC=CC(N2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020224661	0	43	0.0	-47.30	332.58	6.46	-40.84
CC1=CC=CC(N2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020224661	1	43	0.0	-48.05	332.51	6.49	-41.56
CC1=CC=CC(N2CCC(N3CCC(C4=N[N-]N=N4)C3)C2=O)=C1	REAL300020224661	1	42	-1.0	-41.55	329.87	4.17	-37.38
CC1=CC=CC(N2CCC(N3CCC(C4=NN=N[N-]4)C3)C2=O)=C1	REAL300020224661	1	42	-1.0	-41.56	329.94	4.19	-37.37
CC(C)(C)OC(=O)N1CC(N2CCC(C3=N[N-]N=N3)C2)C(=O)C1(C)C	REAL300020224662	0	50	-1.0	-41.74	381.73	3.01	-38.73
CC(C)(C)OC(=O)N1CC(N2CCC(C3=NN=N[N-]3)C2)C(=O)C1(C)C	REAL300020224662	1	50	-1.0	-41.73	381.80	3.03	-38.70
N#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224663	0	40	0.0	-58.06	334.59	4.99	-53.07
N#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224663	1	40	0.0	-63.22	335.34	5.11	-58.11
N#CC1=CC=C(NC(=O)CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224663	1	40	0.0	-58.06	334.52	4.99	-53.07
N#CC1=CC=C(NC(=O)CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224663	1	40	0.0	-63.20	335.27	5.11	-58.09
CC(C)(C)OC(=O)C1=COC(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224664	0	42	-1.0	-40.69	344.41	0.47	-40.22
CC(C)(C)OC(=O)C1=COC(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224664	1	42	-1.0	-40.67	344.48	0.49	-40.18
CC1CCC2=C(C1)SC(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020224665	0	41	0.0	-42.14	328.95	5.99	-36.15
CC1CCC2=C(C1)SC(C[N@H+]1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020224665	1	41	0.0	-45.10	327.82	5.94	-39.16
CC1CCC2=C(C1)SC(CN1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020224665	1	40	-1.0	-42.50	317.90	3.32	-39.18
CC1CCC2=C(C1)SC(CN1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020224665	1	40	-1.0	-42.48	317.98	3.33	-39.15
CC1(C)CCC2=C(C1)SC(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020224666	0	44	0.0	-43.33	344.32	6.31	-37.02
CC1(C)CCC2=C(C1)SC(C[N@H+]1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020224666	1	44	0.0	-44.74	342.52	6.22	-38.52
CC1(C)CCC2=C(C1)SC(CN1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020224666	1	43	-1.0	-39.19	341.21	3.73	-35.46
CC1(C)CCC2=C(C1)SC(CN1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020224666	1	43	-1.0	-39.16	341.28	3.74	-35.42
O=C1C(N2CCC(C3=N[N-]N=N3)C2)CCCN1C1=CC=C(F)C(F)=C1	REAL300020224667	0	42	-1.0	-49.69	338.71	4.21	-45.48
O=C1C([N@@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(F)C(F)=C1	REAL300020224667	1	43	0.0	-47.93	346.63	6.77	-41.16
O=C1C([N@H+]2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(F)C(F)=C1	REAL300020224667	1	43	0.0	-59.79	344.98	6.74	-53.05
O=C1C(N2CCC(C3=NN=N[N-]3)C2)CCCN1C1=CC=C(F)C(F)=C1	REAL300020224667	1	42	-1.0	-49.67	338.78	4.22	-45.45
CC1=CC=CC=C1N1CCCC([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224668	0	46	0.0	-44.53	351.59	7.72	-36.81
CC1=CC=CC=C1N1CCCC([N@H+]2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224668	1	46	0.0	-55.21	350.94	7.70	-47.51
CC1=CC=CC=C1N1CCCC(N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020224668	1	45	-1.0	-42.14	349.06	5.25	-36.89
CC1=CC=CC=C1N1CCCC(N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020224668	1	45	-1.0	-42.13	349.13	5.26	-36.87
CC(C)(C)OC(=O)CCOCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224669	0	47	0.0	-46.66	361.50	5.86	-40.80
CC(C)(C)OC(=O)CCOCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224669	1	47	0.0	-47.47	364.16	5.68	-41.79
CC(C)(C)OC(=O)N1CCCC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224670	0	58	0.0	-50.59	418.75	8.32	-42.27
CC(C)(C)OC(=O)N1CCCC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224670	1	58	0.0	-51.49	418.20	8.37	-43.12
CC(C)(C)OC(=O)N1CCCC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224670	1	58	0.0	-50.60	418.68	8.31	-42.29
CC(C)(C)OC(=O)N1CCCC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224670	1	58	0.0	-51.46	418.13	8.36	-43.10
CN1N=C(CN2CCC(C3=N[N-]N=N3)C2)C(Br)=C1Cl	REAL300020224671	0	31	-1.0	-39.40	296.01	1.89	-37.51
CN1N=C(CN2CCC(C3=NN=N[N-]3)C2)C(Br)=C1Cl	REAL300020224671	1	31	-1.0	-39.42	296.08	1.90	-37.52
ClC1=CC=CC=C1C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020224672	0	37	-1.0	-42.85	324.02	3.94	-38.91
ClC1=CC=CC=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224672	1	38	0.0	-44.29	336.18	7.35	-36.94
ClC1=CC=CC=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224672	1	38	0.0	-46.09	333.52	7.57	-38.52
ClC1=CC=CC=C1C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224672	1	37	-1.0	-42.86	324.08	3.96	-38.90
COC(=O)C(C1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224673	0	37	-1.0	-47.22	319.50	4.03	-43.19
COC(=O)C(C1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224673	1	37	-1.0	-47.20	319.58	4.05	-43.15
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020224674	0	35	0.0	-46.93	292.76	5.32	-41.61
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020224674	1	35	0.0	-47.58	294.36	5.37	-42.21
CC1=C(CN2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=CO1	REAL300020224674	1	34	-1.0	-41.23	275.55	1.95	-39.28
CC1=C(CN2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020224674	1	34	-1.0	-41.22	275.62	1.97	-39.25
COC(=O)C1=NC=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020224675	0	36	-1.0	-40.70	310.73	1.86	-38.84
COC(=O)C1=NC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020224675	1	37	0.0	-62.51	311.34	4.35	-58.16
COC(=O)C1=NC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020224675	1	37	0.0	-59.69	310.60	4.36	-55.33
COC(=O)C1=NC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020224675	1	36	-1.0	-40.75	310.79	1.88	-38.87
COC(=O)C(C1=CC(F)=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224676	0	37	-1.0	-37.43	325.09	4.25	-33.18
COC(=O)C(C1=CC(F)=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224676	1	37	-1.0	-37.44	325.16	4.27	-33.17
COC(=O)C(C1=CC(F)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020224677	0	37	-1.0	-40.06	314.43	3.53	-36.53
COC(=O)C(C1=CC(F)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020224677	1	37	-1.0	-40.05	314.50	3.53	-36.52
CC(C1=NC(C2=NNC=N2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224678	0	35	-1.0	-46.92	300.50	-0.48	-47.40
CC(C1=NC(C2=NNC=N2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224678	1	35	-1.0	-46.90	300.57	-0.47	-47.37
ClC1=CC=C(C2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020224679	0	38	0.0	-46.18	331.38	7.21	-38.97
ClC1=CC=C(C2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020224679	1	38	0.0	-49.02	329.65	7.36	-41.66
ClC1=CC=C(C2=CC(CN3CCC(C4=N[N-]N=N4)C3)=NO2)C=C1	REAL300020224679	1	37	-1.0	-42.19	328.04	4.84	-37.35
ClC1=CC=C(C2=CC(CN3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020224679	1	37	-1.0	-42.21	328.11	4.84	-37.37
COC(=O)C(C1=CC=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224680	0	37	-1.0	-49.15	309.63	3.59	-45.56
COC(=O)C(C1=CC=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224680	1	37	-1.0	-49.14	309.70	3.60	-45.54
ClC1=CC=CC(Cl)=C1C1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020224681	0	37	-1.0	-41.84	343.95	5.00	-36.84
ClC1=CC=CC(Cl)=C1C1=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224681	1	38	0.0	-42.44	346.65	7.56	-34.88
ClC1=CC=CC(Cl)=C1C1=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224681	1	38	0.0	-44.87	346.78	7.75	-37.12
ClC1=CC=CC(Cl)=C1C1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224681	1	37	-1.0	-41.87	344.02	5.02	-36.85
BrC1=CC=C2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020224682	0	36	0.0	-49.06	300.45	7.19	-41.87
BrC1=CC=C2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020224682	1	36	0.0	-43.34	300.29	7.12	-36.22
FC1=NC=C(Br)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224683	0	30	-1.0	-37.03	278.97	1.82	-35.21
FC1=NC=C(Br)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224683	1	30	-1.0	-37.05	279.04	1.84	-35.21
FC(F)(F)C1=CC=CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224684	0	38	0.0	-53.56	319.54	7.41	-46.15
FC(F)(F)C1=CC=CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224684	1	38	0.0	-54.55	318.18	7.44	-47.11
FC(F)(F)C1=CC=CC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224684	1	38	0.0	-53.52	319.47	7.40	-46.12
FC(F)(F)C1=CC=CC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224684	1	38	0.0	-54.53	318.11	7.42	-47.11
CCOC(=O)C(C1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224685	0	40	-1.0	-41.89	341.39	4.96	-36.93
CCOC(=O)C(C1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224685	1	40	-1.0	-41.89	341.46	4.98	-36.91
COC(=O)C(C1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020224686	0	37	-1.0	-47.70	331.14	6.18	-41.52
COC(=O)C(C1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020224686	1	37	-1.0	-47.72	331.20	6.19	-41.53
FC(F)(F)C1=CC=CC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224687	0	38	0.0	-53.56	319.54	7.41	-46.15
FC(F)(F)C1=CC=CC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224687	1	38	0.0	-54.55	318.18	7.44	-47.11
FC(F)(F)C1=CC=CC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224687	1	38	0.0	-53.52	319.47	7.40	-46.12
FC(F)(F)C1=CC=CC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224687	1	38	0.0	-54.53	318.11	7.42	-47.11
C1=C(C2=CC3=C(C=C2)OCCO3)ON=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224688	0	44	0.0	-48.82	359.13	5.84	-42.98
C1=C(C2=CC3=C(C=C2)OCCO3)ON=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224688	1	44	0.0	-52.00	359.13	5.97	-46.03
C1=C(C2=CC3=C(C=C2)OCCO3)ON=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224688	1	43	-1.0	-46.14	355.79	3.48	-42.66
C1=C(C2=CC3=C(C=C2)OCCO3)ON=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224688	1	43	-1.0	-46.15	355.87	3.48	-42.67
COC(=O)C1=C(CN2CCC(C3=N[N-]N=N3)C2)C=C(Br)O1	REAL300020224689	0	34	-1.0	-39.08	312.65	2.61	-36.47
COC(=O)C1=C(CN2CCC(C3=NN=N[N-]3)C2)C=C(Br)O1	REAL300020224689	1	34	-1.0	-39.07	312.72	2.62	-36.45
CC(=O)OC1=CC(C)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224690	0	41	0.0	-51.25	335.10	7.44	-43.81
CC(=O)OC1=CC(C)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224690	1	41	0.0	-51.49	333.39	7.44	-44.05
CC(C)(C)OC(=O)N1CCC12CC(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)OC2=O	REAL300020224691	0	53	0.0	-58.14	408.00	5.96	-52.18
CC(C)(C)OC(=O)N1CCC12CC(C[N@H+]1CCC(C3=NN=N[N-]3)C1)OC2=O	REAL300020224691	1	53	0.0	-55.29	406.17	5.96	-49.33
COC(=O)C(C1=CC(F)=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224692	0	37	-1.0	-43.56	318.76	4.43	-39.13
COC(=O)C(C1=CC(F)=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224692	1	37	-1.0	-43.60	318.83	4.43	-39.17
COC(=O)C(C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224693	0	40	-1.0	-43.83	344.66	5.28	-38.55
COC(=O)C(C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224693	1	40	-1.0	-43.87	344.73	5.29	-38.58
COC1=NC(Cl)=C(CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020224694	0	31	-1.0	-38.44	283.24	-1.00	-39.44
COC1=NC(Cl)=C(CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020224694	1	31	-1.0	-38.43	283.31	-0.99	-39.42
COC(=O)C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020224695	0	51	0.0	-57.60	400.34	4.51	-53.09
COC(=O)C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020224695	1	51	0.0	-57.79	400.21	4.50	-53.29
COC(=O)C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020224695	1	51	0.0	-57.63	400.27	4.50	-53.13
COC(=O)C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020224695	1	51	0.0	-57.75	400.15	4.49	-53.26
COC(=O)C(CCN1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020224695	1	50	-1.0	-45.66	396.16	1.88	-43.78
N#CC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020224696	0	39	0.0	-54.61	317.06	8.04	-46.57
N#CC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020224696	1	39	0.0	-55.76	319.53	8.07	-47.69
CC(C)(C)OC(=O)N1CC(C2=C(CN3CCC(C4=N[N-]N=N4)C3)N=CO2)C1	REAL300020224697	0	51	-1.0	-47.14	393.99	0.52	-46.62
CC(C)(C)OC(=O)N1CC(C2=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)N=CO2)C1	REAL300020224697	1	52	0.0	-53.99	410.17	3.38	-50.61
CC(C)(C)OC(=O)N1CC(C2=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)N=CO2)C1	REAL300020224697	1	52	0.0	-54.28	410.64	3.44	-50.84
CC(C)(C)OC(=O)N1CC(C2=C(CN3CCC(C4=NN=N[N-]4)C3)N=CO2)C1	REAL300020224697	1	51	-1.0	-47.14	394.06	0.54	-46.60
CC(C)(C)OC(=O)N1CCC2(CCOC2C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224698	0	60	0.0	-48.15	427.09	6.33	-41.82
CC(C)(C)OC(=O)N1CCC2(CCOC2C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224698	1	60	0.0	-50.10	428.51	6.15	-43.95
CC(C)(C)OC(=O)N1CCC2(CCOC2C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224698	1	60	0.0	-48.15	427.02	6.32	-41.83
CC(C)(C)OC(=O)N1CCC2(CCOC2C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224698	1	60	0.0	-50.02	428.43	6.14	-43.88
COC(=O)C(C1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224699	0	37	-1.0	-39.55	302.20	3.38	-36.17
COC(=O)C(C1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224699	1	37	-1.0	-39.58	302.27	3.39	-36.19
CS(=O)(=O)C1=CC=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224700	0	37	-1.0	-50.16	304.04	2.11	-48.05
CS(=O)(=O)C1=CC=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224700	1	37	-1.0	-50.20	304.11	2.11	-48.09
O=C1CC2(CCOCC2)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224701	0	43	0.0	-52.85	318.62	4.15	-48.70
O=C1CC2(CCOCC2)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224701	1	43	0.0	-57.28	319.28	4.10	-53.18
O=C1CC2(CCOCC2)C(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)O1	REAL300020224701	1	43	0.0	-52.82	318.54	4.14	-48.68
O=C1CC2(CCOCC2)C(C[N@H+]2CCC(C3=N[N-]N=N3)C2)O1	REAL300020224701	1	43	0.0	-57.21	319.22	4.08	-53.13
CN1N=NC(CN2CCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020224702	0	33	-1.0	-41.37	273.08	-0.48	-41.85
CN1N=NC(CN2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020224702	1	33	-1.0	-41.38	273.15	-0.46	-41.84
CC1=C(S(C)(=O)=O)C=C(CN2CCC(C3=N[N-]N=N3)C2)O1	REAL300020224703	0	37	-1.0	-56.39	310.24	-1.02	-57.41
CC1=C(S(C)(=O)=O)C=C(CN2CCC(C3=NN=N[N-]3)C2)O1	REAL300020224703	1	37	-1.0	-56.38	310.31	-1.00	-57.38
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300020224704	0	44	0.0	-50.29	368.29	5.51	-44.78
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300020224704	1	44	0.0	-48.78	376.78	5.94	-42.84
CC1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300020224704	1	43	-1.0	-44.64	360.54	2.83	-41.81
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=CC=CC=C3C=C2)O1	REAL300020224705	0	47	0.0	-50.29	375.67	6.79	-43.50
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=CC=CC=C3C=C2)O1	REAL300020224705	1	47	0.0	-48.41	381.46	7.38	-41.03
CC1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC3=CC=CC=C3C=C2)O1	REAL300020224705	1	46	-1.0	-42.31	379.04	4.71	-37.60
FC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020224706	0	34	-1.0	-37.70	299.70	4.26	-33.44
FC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020224706	1	35	0.0	-52.20	303.22	6.62	-45.58
FC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020224706	1	35	0.0	-51.79	302.11	6.66	-45.13
FC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020224706	1	34	-1.0	-37.72	299.77	4.26	-33.46
COC(=O)C(C1=CC(F)=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224707	0	37	-1.0	-43.56	318.76	4.43	-39.13
COC(=O)C(C1=CC(F)=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224707	1	37	-1.0	-43.60	318.83	4.43	-39.17
COC(=O)C(C1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224708	0	37	-1.0	-39.55	302.20	3.38	-36.17
COC(=O)C(C1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224708	1	37	-1.0	-39.58	302.27	3.39	-36.19
BrC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020224709	0	30	-1.0	-38.95	270.61	1.87	-37.08
BrC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224709	1	30	-1.0	-38.95	270.68	1.88	-37.07
BrC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224709	1	31	0.0	-52.24	273.38	4.30	-47.94
BrC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020224709	1	31	0.0	-52.20	271.74	4.21	-47.99
COC(=O)C(C1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020224710	0	43	-1.0	-45.34	341.35	6.40	-38.94
COC(=O)C(C1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020224710	1	43	-1.0	-45.38	341.42	6.40	-38.98
COC(=O)C1=CC=C(C(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224711	0	42	0.0	-56.13	339.76	4.21	-51.92
COC(=O)C1=CC=C(C(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224711	1	42	0.0	-56.66	342.44	4.05	-52.61
O=C(CN1CCC(C2=N[N-]N=N2)C1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020224712	0	54	0.0	-67.09	407.72	5.36	-61.73
O=C(CN1CCC(C2=NN=N[N-]2)C1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020224712	1	54	0.0	-67.07	407.80	5.36	-61.71
COC(=O)C(C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224713	0	37	-1.0	-38.65	312.54	3.83	-34.82
COC(=O)C(C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224713	1	37	-1.0	-38.65	312.61	3.84	-34.81
COC(=O)CC1=CC=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224714	0	41	0.0	-41.35	324.90	7.11	-34.24
COC(=O)CC1=CC=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224714	1	41	0.0	-47.52	328.13	7.01	-40.51
O=[N+]([O-])C1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1	REAL300020224715	0	35	-1.0	-42.61	311.90	4.45	-38.16
O=[N+]([O-])C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020224715	1	36	0.0	-66.07	312.65	6.88	-59.19
O=[N+]([O-])C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020224715	1	36	0.0	-64.13	313.63	6.96	-57.17
O=[N+]([O-])C1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020224715	1	35	-1.0	-42.58	311.96	4.46	-38.12
CC(C)(C)OC(=O)CCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224716	0	49	0.0	-49.08	373.42	7.73	-41.35
CC(C)(C)OC(=O)CCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224716	1	49	0.0	-49.93	374.15	7.86	-42.07
CC(C)(C)OC(=O)CCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224716	1	49	0.0	-49.03	373.35	7.73	-41.30
CC(C)(C)OC(=O)CCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224716	1	49	0.0	-49.88	374.07	7.86	-42.02
FC(F)(F)OC1=CC=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224717	0	36	0.0	-42.06	296.70	5.60	-36.46
FC(F)(F)OC1=CC=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224717	1	36	0.0	-47.73	303.90	5.46	-42.27
FC(F)(F)OC1=CC=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224717	1	35	-1.0	-38.53	294.01	3.26	-35.27
FC(F)(F)OC1=CC=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224717	1	35	-1.0	-38.52	294.08	3.27	-35.25
CC1=CC=NC(CN2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020224718	0	33	-1.0	-38.72	275.40	2.01	-36.71
CC1=CC=NC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224718	1	34	0.0	-39.54	291.10	4.92	-34.62
CC1=CC=NC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224718	1	34	0.0	-43.06	288.46	5.11	-37.95
CC1=CC=NC(CN2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224718	1	33	-1.0	-38.71	275.47	2.03	-36.68
C(C1=NN=C(N2CCCCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224719	0	41	-1.0	-39.86	326.29	-2.53	-42.39
C(C1=NN=C(N2CCCCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224719	1	41	-1.0	-39.87	326.35	-2.52	-42.39
C1=CC=C(C2OCC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020224720	0	41	0.0	-47.34	322.86	5.51	-41.83
C1=CC=C(C2OCC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)O2)C=C1	REAL300020224720	1	41	0.0	-50.78	325.11	5.41	-45.37
IC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224721	0	32	0.0	-46.30	285.86	6.65	-39.65
IC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224721	1	32	0.0	-46.42	283.21	6.64	-39.78
IC1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224721	1	31	-1.0	-40.03	280.32	3.94	-36.09
IC1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224721	1	31	-1.0	-40.03	280.38	3.95	-36.08
BrC1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020224722	0	31	-1.0	-37.46	294.24	4.27	-33.19
BrC1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224722	1	31	-1.0	-37.49	294.31	4.28	-33.21
BrC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224722	1	32	0.0	-46.44	291.89	6.68	-39.76
BrC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224722	1	32	0.0	-49.37	294.67	6.72	-42.65
FC(F)CC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224723	0	41	0.0	-53.96	325.76	7.69	-46.27
FC(F)CC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224723	1	41	0.0	-48.09	325.32	7.78	-40.31
FC(F)CC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224723	1	41	0.0	-53.93	325.69	7.67	-46.26
FC(F)CC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224723	1	41	0.0	-48.06	325.25	7.77	-40.29
CC1=CC=CC(C)=C1N(CN1C=CC=N1)C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020224724	0	51	-1.0	-48.09	404.17	7.18	-40.91
CC1=CC=CC(C)=C1N(CN1C=CC=N1)C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224724	1	51	-1.0	-48.06	404.25	7.19	-40.87
CC1=CC=CC(C)=C1N(CN1C=CC=N1)C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224724	1	52	0.0	-44.10	407.84	9.67	-34.43
CC1=CC=CC(C)=C1N(CN1C=CC=N1)C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224724	1	52	0.0	-42.90	408.46	9.72	-33.18
C(C1=NN=C(N2CCOCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224725	0	39	-1.0	-40.34	317.46	-5.01	-45.35
C(C1=NN=C(N2CCOCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224725	1	39	-1.0	-40.36	317.52	-4.99	-45.35
O=C(CN1CCC(C2=N[N-]N=N2)C1)NCCN1CCC2=CC=CC=C21	REAL300020224726	0	47	-1.0	-47.61	367.58	1.33	-46.28
O=C(CN1CCC(C2=NN=N[N-]2)C1)NCCN1CCC2=CC=CC=C21	REAL300020224726	1	47	-1.0	-47.67	367.64	1.35	-46.32
CC1=CC(N2CCN(C(=O)C[N@@H+]3CCC(C4=NN=N[N-]4)C3)CC2)=NC(C(C)C)=[NH+]1	REAL300020224727	0	59	1.0	-78.68	441.60	6.71	-71.97
CC1=CC(N2CCN(C(=O)C[N@H+]3CCC(C4=NN=N[N-]4)C3)CC2)=NC(C(C)C)=[NH+]1	REAL300020224727	1	59	1.0	-80.05	441.76	6.75	-73.30
OC(CCOCC1=CC=CC=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224728	0	46	0.0	-49.71	363.85	4.37	-45.34
OC(CCOCC1=CC=CC=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224728	1	46	0.0	-49.32	367.02	4.10	-45.22
FC1=CC=C(C2=CSC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224729	0	38	0.0	-48.58	329.43	6.47	-42.11
FC1=CC=C(C2=CSC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224729	1	38	0.0	-47.16	328.31	6.50	-40.66
FC1=CC=C(C2=CSC(CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020224729	1	37	-1.0	-42.25	318.10	3.81	-38.44
FC1=CC=C(C2=CSC(CN3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020224729	1	37	-1.0	-42.30	318.17	3.82	-38.48
CCOC(=O)C1=CC=C(F)C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224730	0	41	0.0	-47.17	340.74	7.24	-39.93
CCOC(=O)C1=CC=C(F)C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224730	1	41	0.0	-46.63	333.37	6.95	-39.68
CCOC(=O)C1=CC=C(F)C(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224730	1	40	-1.0	-40.24	327.20	4.15	-36.09
CCOC(=O)C1=CC=C(F)C(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224730	1	40	-1.0	-40.25	327.28	4.17	-36.08
CC1=CC(Cl)=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020224731	0	34	-1.0	-37.58	310.21	4.65	-32.93
CC1=CC(Cl)=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224731	1	34	-1.0	-37.62	310.28	4.66	-32.96
CC1=CC(Cl)=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224731	1	35	0.0	-44.78	311.14	7.29	-37.49
CC1=CC(Cl)=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020224731	1	35	0.0	-42.12	310.96	7.32	-34.80
CC1CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020224732	0	55	0.0	-48.68	398.00	7.48	-41.20
CC1CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020224732	1	55	0.0	-50.17	402.99	7.23	-42.94
CC1CC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020224732	1	55	0.0	-48.61	397.93	7.47	-41.14
CC1CC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020224732	1	55	0.0	-50.14	402.92	7.22	-42.92
CCC(C1=CC(Cl)=CC2=C1OCC2)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224733	0	43	0.0	-44.07	338.70	7.19	-36.88
CCC(C1=CC(Cl)=CC2=C1OCC2)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224733	1	43	0.0	-40.64	335.97	6.88	-33.76
C1=CC=C(COCCOCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224734	0	46	0.0	-44.04	366.51	6.22	-37.82
C1=CC=C(COCCOCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224734	1	46	0.0	-46.76	369.17	6.08	-40.68
FC(F)(F)C1CCCC(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224735	0	44	0.0	-51.65	331.84	7.29	-44.36
FC(F)(F)C1CCCC(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224735	1	44	0.0	-50.12	338.87	7.58	-42.54
FC(F)(F)C1CCCC(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224735	1	44	0.0	-51.64	331.77	7.29	-44.35
FC(F)(F)C1CCCC(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224735	1	44	0.0	-50.10	338.80	7.57	-42.53
CC1=NC2=CC(NC(=O)CN3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020224736	0	41	-1.0	-49.28	334.04	0.90	-48.38
CC1=NC2=CC(NC(=O)CN3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020224736	1	41	-1.0	-49.27	334.10	0.91	-48.36
FC(F)(F)CN1C=C(Br)C(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224737	0	34	-1.0	-44.55	320.19	2.72	-41.83
FC(F)(F)CN1C=C(Br)C(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224737	1	34	-1.0	-44.50	320.25	2.73	-41.77
FC1=CC=C(OCCC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224738	0	39	0.0	-52.10	336.95	6.71	-45.39
FC1=CC=C(OCCC[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020224738	1	39	0.0	-52.03	336.70	6.70	-45.33
FC1=CC=C(OCCC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020224738	1	39	0.0	-52.07	336.88	6.70	-45.37
FC1=CC=C(OCCC[N@H+]2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020224738	1	39	0.0	-52.05	336.63	6.69	-45.36
CS(=O)(=O)C1=C(CN2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020224739	0	34	-1.0	-48.92	300.00	0.28	-48.64
CS(=O)(=O)C1=C(CN2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020224739	1	34	-1.0	-48.92	300.07	0.29	-48.63
FC1=CC=C(N2N=NN=C2CN2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224740	0	36	-1.0	-38.70	308.95	2.98	-35.72
FC1=CC=C(N2N=NN=C2CN2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224740	1	36	-1.0	-38.70	309.01	3.00	-35.70
CC(C1=NC=C(C2=CC=C(F)C=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224741	0	40	-1.0	-42.37	337.25	2.30	-40.07
CC(C1=NC=C(C2=CC=C(F)C=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224741	1	40	-1.0	-42.35	337.32	2.31	-40.04
COC(=O)C(C1=CC=C(F)C(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020224742	0	37	-1.0	-42.41	328.34	4.91	-37.50
COC(=O)C(C1=CC=C(F)C(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020224742	1	37	-1.0	-42.40	328.41	4.91	-37.49
COC(=O)C(C1=CC=C(F)C(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020224743	0	37	-1.0	-42.41	328.34	4.91	-37.50
COC(=O)C(C1=CC=C(F)C(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020224743	1	37	-1.0	-42.40	328.41	4.91	-37.49
CC1=CC(CC(O)C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020224744	0	42	0.0	-53.73	337.33	4.66	-49.07
CC1=CC(CC(O)C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020224744	1	42	0.0	-52.18	336.95	4.70	-47.48
FC(F)(F)C1CCCCC1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224745	0	41	0.0	-46.38	306.70	6.29	-40.09
FC(F)(F)C1CCCCC1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224745	1	41	0.0	-47.02	296.76	6.03	-40.99
FC(F)(F)C1CCCCC1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224745	1	41	0.0	-46.33	306.63	6.28	-40.05
FC(F)(F)C1CCCCC1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224745	1	41	0.0	-46.97	296.69	6.02	-40.95
FC1=CC=C(CN2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020224746	0	34	-1.0	-42.69	291.09	3.68	-39.01
FC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020224746	1	35	0.0	-54.51	303.02	6.63	-47.88
FC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020224746	1	35	0.0	-54.26	301.55	6.67	-47.59
FC1=CC=C(CN2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020224746	1	34	-1.0	-42.69	291.16	3.69	-39.00
FC(F)(F)C1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020224747	0	31	-1.0	-38.65	285.93	3.37	-35.28
FC(F)(F)C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224747	1	32	0.0	-49.82	289.04	5.71	-44.11
FC(F)(F)C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224747	1	32	0.0	-50.44	286.50	5.72	-44.72
FC(F)(F)C1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020224747	1	31	-1.0	-38.63	286.00	3.38	-35.25
FC(F)(F)C1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020224748	0	32	0.0	-47.84	281.36	5.75	-42.09
FC(F)(F)C1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020224748	1	32	0.0	-47.78	281.17	5.88	-41.90
FC(F)(F)C1=C(CN2CCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020224748	1	31	-1.0	-41.73	281.42	4.03	-37.70
FC(F)(F)C1=C(CN2CCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020224748	1	31	-1.0	-41.73	281.50	4.03	-37.70
CC1=C(CN2CCC(C3=N[N-]N=N3)C2)C(Br)=NO1	REAL300020224749	0	30	-1.0	-38.26	270.27	1.60	-36.66
CC1=C(CN2CCC(C3=NN=N[N-]3)C2)C(Br)=NO1	REAL300020224749	1	30	-1.0	-38.31	270.33	1.61	-36.70
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=NO1	REAL300020224749	1	31	0.0	-48.95	271.30	4.20	-44.75
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(Br)=NO1	REAL300020224749	1	31	0.0	-45.44	272.92	4.14	-41.30
O=C1C=C(CN2CCC(C3=N[N-]N=N3)C2)NC2=C(Br)C=NN21	REAL300020224750	0	34	-1.0	-44.39	310.51	1.35	-43.04
O=C1C=C(CN2CCC(C3=NN=N[N-]3)C2)NC2=C(Br)C=NN21	REAL300020224750	1	34	-1.0	-44.43	310.58	1.36	-43.07
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)NC2=C(Br)C=NN21	REAL300020224750	1	35	0.0	-68.38	312.06	3.98	-64.40
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)NC2=C(Br)C=NN21	REAL300020224750	1	35	0.0	-66.85	311.14	3.97	-62.88
CC1CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CN1C(=O)OC(C)(C)C	REAL300020224751	0	52	0.0	-56.39	387.24	6.45	-49.94
CC1CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CN1C(=O)OC(C)(C)C	REAL300020224751	1	52	0.0	-55.48	380.48	6.08	-49.40
CC1CC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CN1C(=O)OC(C)(C)C	REAL300020224751	1	52	0.0	-56.31	387.17	6.44	-49.87
CC1CC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CN1C(=O)OC(C)(C)C	REAL300020224751	1	52	0.0	-55.45	380.41	6.07	-49.38
FC1=C(Cl)C=CC(Br)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224752	0	31	-1.0	-38.30	292.55	4.07	-34.23
FC1=C(Cl)C=CC(Br)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224752	1	31	-1.0	-38.27	292.62	4.08	-34.19
FC(F)(F)OC1=CC=CC(C#CCN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224753	0	37	-1.0	-40.37	329.37	4.29	-36.08
FC(F)(F)OC1=CC=CC(C#CCN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224753	1	37	-1.0	-40.37	329.44	4.30	-36.07
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224754	0	44	0.0	-50.23	358.36	7.64	-42.59
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224754	1	44	0.0	-50.11	358.00	7.70	-42.41
CC(C)N1C2=CC=C(Cl)C=C2N=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224754	1	43	-1.0	-41.26	355.14	5.06	-36.20
CC(C)N1C2=CC=C(Cl)C=C2N=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224754	1	43	-1.0	-41.26	355.20	5.08	-36.18
COC(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224755	0	38	0.0	-49.62	322.67	6.65	-42.97
COC(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224755	1	38	0.0	-46.72	322.82	6.66	-40.06
COC(=O)C1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020224755	1	37	-1.0	-42.10	325.17	4.26	-37.84
COC(=O)C1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020224755	1	37	-1.0	-42.10	325.24	4.28	-37.82
C1=NC=C(C2=NC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=N1	REAL300020224756	0	38	0.0	-55.87	316.54	4.85	-51.02
C1=NC=C(C2=NC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=N2)C=N1	REAL300020224756	1	38	0.0	-55.29	314.63	4.76	-50.53
CC(C)(C)OCCCCCCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224757	0	53	0.0	-47.72	395.40	7.71	-40.01
CC(C)(C)OCCCCCCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224757	1	53	0.0	-47.49	396.60	7.76	-39.73
CC(C)(C)OCCCCCCC[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224757	1	53	0.0	-47.70	395.33	7.69	-40.01
CC(C)(C)OCCCCCCC[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224757	1	53	0.0	-47.47	396.53	7.76	-39.71
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224758	0	52	0.0	-54.58	382.59	6.71	-47.87
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020224758	1	52	0.0	-54.03	381.81	6.59	-47.44
CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224758	1	52	0.0	-54.54	382.52	6.71	-47.83
CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020224758	1	52	0.0	-53.99	381.74	6.59	-47.40
O=C1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C(Br)C=C2O1	REAL300020224759	0	37	0.0	-60.65	323.91	7.61	-53.04
O=C1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C2=CC=C(Br)C=C2O1	REAL300020224759	1	37	0.0	-59.84	322.53	7.57	-52.27
CCOC(=O)C1=CC2=C(C=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)S2)S1	REAL300020224760	0	41	0.0	-51.00	363.88	7.87	-43.13
CCOC(=O)C1=CC2=C(C=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)S2)S1	REAL300020224760	1	41	0.0	-51.92	363.72	7.89	-44.03
CC1=CC(Br)=CC(C)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224761	0	38	0.0	-45.13	307.55	7.16	-37.97
CC1=CC(Br)=CC(C)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224761	1	38	0.0	-45.62	307.35	7.18	-38.44
CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224762	0	46	0.0	-57.87	353.64	5.01	-52.86
CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224762	1	46	0.0	-57.01	352.55	4.84	-52.17
CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224762	1	46	0.0	-57.86	353.57	4.99	-52.87
CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224762	1	46	0.0	-57.02	352.49	4.82	-52.20
ClC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=NC2=C(Br)C=NN21	REAL300020224763	0	33	-1.0	-44.39	314.15	3.81	-40.58
ClC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=NC2=C(Br)C=NN21	REAL300020224763	1	33	-1.0	-44.44	314.22	3.81	-40.63
O=C1N=C(CN2CCC(C3=N[N-]N=N3)C2)NC2=CC=C(Br)C=C12	REAL300020224764	0	36	-1.0	-50.41	320.61	2.33	-48.08
O=C1N=C(CN2CCC(C3=NN=N[N-]3)C2)NC2=CC=C(Br)C=C12	REAL300020224764	1	36	-1.0	-50.44	320.67	2.34	-48.10
C1=C(CC2=CC=CC=C2)ON=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224765	0	40	-1.0	-43.39	334.69	5.20	-38.19
C1=C(CC2=CC=CC=C2)ON=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224765	1	40	-1.0	-43.39	334.76	5.21	-38.18
C1=C(CC2=CC=CC=C2)ON=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224765	1	41	0.0	-45.36	338.02	7.55	-37.81
C1=C(CC2=CC=CC=C2)ON=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224765	1	41	0.0	-48.31	336.25	7.69	-40.62
FC(F)(F)C1=CSC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224766	0	32	0.0	-41.35	277.48	5.59	-35.76
FC(F)(F)C1=CSC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224766	1	32	0.0	-41.29	277.39	5.63	-35.66
FC(F)(F)C1=CSC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224766	1	31	-1.0	-43.68	280.49	3.76	-39.92
FC(F)(F)C1=CSC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224766	1	31	-1.0	-43.69	280.56	3.77	-39.92
CC(O)(CC1=CC=CC(F)=C1)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224767	0	42	0.0	-52.67	326.86	4.86	-47.81
CC(O)(CC1=CC=CC(F)=C1)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224767	1	42	0.0	-52.22	323.44	5.10	-47.12
CC(O)(CC1=CC=CC(F)=C1)C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224767	1	42	0.0	-52.63	326.79	4.85	-47.78
CC(O)(CC1=CC=CC(F)=C1)C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224767	1	42	0.0	-52.21	323.37	5.09	-47.12
CC1=NC(CN2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020224768	0	33	-1.0	-38.86	283.21	2.13	-36.73
CC1=NC(CN2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020224768	1	33	-1.0	-38.93	283.28	2.15	-36.78
CC1=CC(CN2CCC(C3=N[N-]N=N3)C2)=CN=C1Br	REAL300020224769	0	33	-1.0	-40.31	281.39	1.86	-38.45
CC1=CC(CN2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020224769	1	33	-1.0	-40.34	281.46	1.87	-38.47
CC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020224769	1	34	0.0	-51.74	293.20	4.81	-46.93
CC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020224769	1	34	0.0	-51.87	290.01	4.78	-47.09
COC1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020224770	0	40	0.0	-53.09	326.40	5.02	-48.07
COC1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020224770	1	40	0.0	-51.60	325.68	5.09	-46.51
FC1=C(Cl)C=C(Br)C=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224771	0	31	-1.0	-37.88	292.98	4.03	-33.85
FC1=C(Cl)C=C(Br)C=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224771	1	31	-1.0	-37.90	293.04	4.04	-33.86
FC(F)(F)[C@@H]1CC=CC[C@H]1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224772	0	39	0.0	-48.72	303.76	6.55	-42.17
FC(F)(F)[C@@H]1CC=CC[C@H]1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224772	1	39	0.0	-48.07	297.64	6.25	-41.82
FC(F)(F)[C@@H]1CC=CC[C@H]1C[N@@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224772	1	39	0.0	-48.67	303.69	6.55	-42.12
FC(F)(F)[C@@H]1CC=CC[C@H]1C[N@H+]1CCC(C2=N[N-]N=N2)C1	REAL300020224772	1	39	0.0	-48.06	297.57	6.24	-41.82
C1=CC=C(CC2=CC=C(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020224773	0	45	0.0	-46.29	360.06	10.08	-36.21
C1=CC=C(CC2=CC=C(C[N@H+]3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020224773	1	45	0.0	-46.30	360.02	10.08	-36.22
COC1=CC=C(F)C=C1C(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224774	0	40	0.0	-46.71	321.13	2.80	-43.91
COC1=CC=C(F)C=C1C(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224774	1	40	0.0	-48.09	318.01	3.18	-44.91
CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2CCC(C3=NN=N[N-]3)C2)[C@H](O)C2=CC=CC=C21	REAL300020224775	0	54	0.0	-54.42	399.60	5.17	-49.25
CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2CCC(C3=NN=N[N-]3)C2)[C@H](O)C2=CC=CC=C21	REAL300020224775	1	54	0.0	-53.58	399.71	5.17	-48.41
OC(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCC2=CC=CC=C21	REAL300020224776	0	46	0.0	-46.34	339.11	5.28	-41.06
OC(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1CCCC2=CC=CC=C21	REAL300020224776	1	46	0.0	-50.85	341.34	5.50	-45.35
OC(C[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1CCCC2=CC=CC=C21	REAL300020224776	1	46	0.0	-46.33	339.04	5.26	-41.07
OC(C[N@H+]1CCC(C2=N[N-]N=N2)C1)C1CCCC2=CC=CC=C21	REAL300020224776	1	46	0.0	-50.77	341.27	5.48	-45.29
CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224777	0	53	0.0	-49.55	379.45	3.31	-46.24
CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224777	1	53	0.0	-42.79	379.15	3.25	-39.54
CC(C)(C)OC(=O)N1CC(C2=NOC(CN3CCC(C4=N[N-]N=N4)C3)=C2)C1	REAL300020224778	0	51	-1.0	-45.87	405.70	3.69	-42.18
CC(C)(C)OC(=O)N1CC(C2=NOC(CN3CCC(C4=NN=N[N-]4)C3)=C2)C1	REAL300020224778	1	51	-1.0	-45.91	405.77	3.69	-42.22
COC(=O)[C@@H]1C[C@H](N2CCC(C3=N[N-]N=N3)C2)C(=O)N1CC1=CC=CC=C1	REAL300020224779	0	48	-1.0	-49.10	384.69	4.61	-44.49
COC(=O)[C@@H]1C[C@H](N2CCC(C3=NN=N[N-]3)C2)C(=O)N1CC1=CC=CC=C1	REAL300020224779	1	48	-1.0	-49.13	384.77	4.62	-44.51
COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC(C3=NN=N[N-]3)C2)C(=O)N1CC1=CC=CC=C1	REAL300020224779	1	49	0.0	-50.80	393.18	7.25	-43.55
COC(=O)[C@@H]1C[C@H]([N@H+]2CCC(C3=NN=N[N-]3)C2)C(=O)N1CC1=CC=CC=C1	REAL300020224779	1	49	0.0	-60.54	392.59	7.20	-53.34
FC(F)C(CC[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224780	0	41	0.0	-48.65	327.12	7.73	-40.92
FC(F)C(CC[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020224780	1	41	0.0	-53.61	324.66	7.64	-45.97
FC(F)C(CC[N@@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224780	1	41	0.0	-48.63	327.05	7.73	-40.90
FC(F)C(CC[N@H+]1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020224780	1	41	0.0	-53.56	324.59	7.63	-45.93
C1=CN(CC2=CC=CC=C2)N=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224781	0	41	-1.0	-41.63	333.80	4.40	-37.23
C1=CN(CC2=CC=CC=C2)N=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224781	1	42	0.0	-47.33	343.75	7.18	-40.15
C1=CN(CC2=CC=CC=C2)N=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224781	1	42	0.0	-43.39	343.56	7.19	-36.20
C1=CN(CC2=CC=CC=C2)N=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224781	1	41	-1.0	-41.62	333.87	4.41	-37.21
O=C(OCC1=CC=CC=C1)N1C[C@@H](O)[C@H]([N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224782	0	48	0.0	-54.31	387.24	3.63	-50.68
O=C(OCC1=CC=CC=C1)N1C[C@@H](O)[C@H]([N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224782	1	48	0.0	-52.76	384.44	3.69	-49.07
O=C(OCC1=CC=CC=C1)N1C[C@@H](O)[C@H](N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224782	1	47	-1.0	-45.38	383.47	1.21	-44.17
O=C(OCC1=CC=CC=C1)N1C[C@@H](O)[C@H](N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224782	1	47	-1.0	-45.36	383.53	1.23	-44.13
FC(F)(F)C1=CC(CN2CCC(C3=N[N-]N=N3)C2)=NS1	REAL300020224783	0	30	-1.0	-38.66	274.33	1.47	-37.19
FC(F)(F)C1=CC(CN2CCC(C3=NN=N[N-]3)C2)=NS1	REAL300020224783	1	30	-1.0	-38.68	274.40	1.48	-37.20
CC(C)(C)OC(=O)NCCOCC[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224784	0	49	0.0	-49.00	377.54	2.82	-46.18
CC(C)(C)OC(=O)NCCOCC[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224784	1	49	0.0	-50.63	380.23	2.67	-47.96
CC(C)(C)OC(=O)N[C@H]1C[C@H](C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224785	0	49	0.0	-53.19	370.51	4.43	-48.76
CC(C)(C)OC(=O)N[C@H]1C[C@H](C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224785	1	49	0.0	-53.10	371.00	4.47	-48.63
CC(C)(C)OC(=O)N[C@H]1C[C@H](C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224785	1	49	0.0	-53.11	370.44	4.41	-48.70
CC(C)(C)OC(=O)N[C@H]1C[C@H](C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224785	1	49	0.0	-53.09	370.93	4.47	-48.62
COC1=CC=C(C2CCC([N@@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1F	REAL300020224786	0	46	0.0	-49.94	354.54	7.35	-42.59
COC1=CC=C(C2CCC([N@H+]3CCC(C4=NN=N[N-]4)C3)C2)C=C1F	REAL300020224786	1	46	0.0	-52.94	354.36	7.38	-45.56
COC1=CC=C(C2CCC([N@@H+]3CCC(C4=N[N-]N=N4)C3)C2)C=C1F	REAL300020224786	1	46	0.0	-49.88	354.47	7.33	-42.55
COC1=CC=C(C2CCC([N@H+]3CCC(C4=N[N-]N=N4)C3)C2)C=C1F	REAL300020224786	1	46	0.0	-52.94	354.29	7.37	-45.57
COC(=O)C(C1=CC=CC(C)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224787	0	40	-1.0	-38.64	317.20	3.98	-34.66
COC(=O)C(C1=CC=CC(C)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224787	1	40	-1.0	-38.67	317.27	4.00	-34.67
COC(=O)C(C1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224788	0	39	-1.0	-46.54	336.98	4.89	-41.65
COC(=O)C(C1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224788	1	39	-1.0	-46.57	337.05	4.91	-41.66
CC(=O)NCC1=CC=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224789	0	42	0.0	-53.02	339.44	4.63	-48.39
CC(=O)NCC1=CC=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224789	1	42	0.0	-53.66	339.63	4.56	-49.10
ClC1=CC(Br)=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224790	0	31	-1.0	-38.68	293.49	4.23	-34.45
ClC1=CC(Br)=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224790	1	31	-1.0	-38.72	293.55	4.23	-34.49
ClC1=CC(Br)=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224790	1	32	0.0	-48.11	296.49	6.68	-41.43
ClC1=CC(Br)=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224790	1	32	0.0	-49.93	294.19	6.67	-43.26
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2C)O1	REAL300020224791	0	44	0.0	-47.29	354.09	5.33	-41.96
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2C)O1	REAL300020224791	1	44	0.0	-47.44	354.29	5.54	-41.90
CC1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC=C2C)O1	REAL300020224791	1	43	-1.0	-45.17	341.13	2.51	-42.66
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=C(Cl)C=C2)O1	REAL300020224792	0	41	0.0	-46.71	352.25	5.35	-41.36
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=C(Cl)C=C2)O1	REAL300020224792	1	41	0.0	-44.98	353.56	5.35	-39.63
CC1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=C(Cl)C=C2)O1	REAL300020224792	1	40	-1.0	-39.48	351.23	3.07	-36.41
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224793	0	49	0.0	-51.45	370.72	4.29	-47.16
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224793	1	49	0.0	-52.29	373.23	4.49	-47.80
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224793	1	49	0.0	-51.43	370.65	4.29	-47.14
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224793	1	49	0.0	-52.26	373.16	4.49	-47.77
CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)OCC12CCC2	REAL300020224794	0	57	0.0	-48.74	412.61	5.93	-42.81
CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)OCC12CCC2	REAL300020224794	1	57	0.0	-50.31	411.42	6.15	-44.16
FC(F)(F)C1=CC=C(CC[N@@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224795	0	38	0.0	-54.04	319.20	7.40	-46.64
FC(F)(F)C1=CC=C(CC[N@H+]2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224795	1	38	0.0	-52.12	318.72	7.36	-44.76
FC(F)(F)C1=CC=C(CC[N@@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224795	1	38	0.0	-54.02	319.13	7.38	-46.64
FC(F)(F)C1=CC=C(CC[N@H+]2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224795	1	38	0.0	-52.05	318.65	7.36	-44.69
OC(COC1=CC=CC2=CC=CC=C21)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224796	0	46	0.0	-53.14	364.79	5.32	-47.82
OC(COC1=CC=CC2=CC=CC=C21)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224796	1	46	0.0	-53.45	364.90	5.32	-48.13
CC(O)(C[N@@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=N1	REAL300020224797	0	38	0.0	-46.14	313.20	2.98	-43.16
CC(O)(C[N@H+]1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=N1	REAL300020224797	1	38	0.0	-45.14	311.62	2.91	-42.23
C(C1CCC2(CCCCCCC2)O1)[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224798	0	52	0.0	-44.52	355.22	7.76	-36.76
C(C1CCC2(CCCCCCC2)O1)[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224798	1	52	0.0	-45.87	355.99	7.70	-38.17
COC(=O)C1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224799	0	38	0.0	-50.34	319.86	6.58	-43.76
COC(=O)C1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224799	1	38	0.0	-47.51	320.02	6.59	-40.92
COC(=O)C1=CC=CC(CN2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020224799	1	37	-1.0	-42.49	322.13	4.11	-38.38
COC(=O)C1=CC=CC(CN2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020224799	1	37	-1.0	-42.49	322.20	4.12	-38.37
COC1=NC2=CC=CC=C2C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224800	0	41	0.0	-51.52	330.59	4.63	-46.89
COC1=NC2=CC=CC=C2C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224800	1	41	0.0	-45.67	328.37	4.63	-41.04
COC(=O)C1=CC=C2C(=C1)N=C(CN1CCC(C3=N[N-]N=N3)C1)N2C	REAL300020224801	0	43	-1.0	-46.87	347.50	3.78	-43.09
COC(=O)C1=CC=C2C(=C1)N=C(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)N2C	REAL300020224801	1	44	0.0	-56.87	361.60	6.53	-50.34
COC(=O)C1=CC=C2C(=C1)N=C(C[N@H+]1CCC(C3=NN=N[N-]3)C1)N2C	REAL300020224801	1	44	0.0	-59.92	354.61	6.19	-53.73
COC(=O)C1=CC=C2C(=C1)N=C(CN1CCC(C3=NN=N[N-]3)C1)N2C	REAL300020224801	1	43	-1.0	-46.87	347.57	3.80	-43.07
CCOC(=O)C1=CC=C2C(=C1)N=C(CN1CCC(C3=N[N-]N=N3)C1)N2CC	REAL300020224802	0	49	-1.0	-45.85	401.77	5.79	-40.06
CCOC(=O)C1=CC=C2C(=C1)N=C(C[N@@H+]1CCC(C3=NN=N[N-]3)C1)N2CC	REAL300020224802	1	50	0.0	-54.08	401.00	8.43	-45.65
CCOC(=O)C1=CC=C2C(=C1)N=C(C[N@H+]1CCC(C3=NN=N[N-]3)C1)N2CC	REAL300020224802	1	50	0.0	-55.26	405.06	8.43	-46.83
CCOC(=O)C1=CC=C2C(=C1)N=C(CN1CCC(C3=NN=N[N-]3)C1)N2CC	REAL300020224802	1	49	-1.0	-45.85	401.84	5.81	-40.04
O=[N+]([O-])C1=CC=CC(Br)=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224803	0	33	-1.0	-47.91	289.94	4.40	-43.51
O=[N+]([O-])C1=CC=CC(Br)=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224803	1	33	-1.0	-47.95	290.00	4.41	-43.54
O=[N+]([O-])C1=CC=CC(Br)=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224803	1	34	0.0	-40.37	292.44	6.61	-33.76
O=[N+]([O-])C1=CC=CC(Br)=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224803	1	34	0.0	-40.26	290.91	6.69	-33.57
CC1=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=C(F)C=C2)O1	REAL300020224804	0	41	0.0	-47.11	341.93	4.89	-42.22
CC1=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=C(F)C=C2)O1	REAL300020224804	1	41	0.0	-45.44	343.24	4.90	-40.54
CC1=C(CN2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=C(F)C=C2)O1	REAL300020224804	1	40	-1.0	-39.72	340.91	2.61	-37.11
CCC1=CC=C(C2=NC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C(C)O2)C=C1	REAL300020224805	0	47	0.0	-45.70	378.41	6.27	-39.43
CCC1=CC=C(C2=NC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C(C)O2)C=C1	REAL300020224805	1	47	0.0	-44.20	379.73	6.27	-37.93
CCC1=CC=C(C2=NC(CN3CCC(C4=NN=N[N-]4)C3)=C(C)O2)C=C1	REAL300020224805	1	46	-1.0	-41.03	377.38	3.99	-37.04
CCCCSC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224806	0	45	0.0	-45.02	362.74	9.00	-36.02
CCCCSC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224806	1	45	0.0	-45.06	360.11	8.98	-36.08
CC1=CC(C(F)(F)F)=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224807	0	38	0.0	-50.34	313.01	7.21	-43.13
CC1=CC(C(F)(F)F)=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224807	1	38	0.0	-50.10	311.63	7.24	-42.86
COCCCC1=CC=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224808	0	45	0.0	-46.94	354.19	6.80	-40.14
COCCCC1=CC=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224808	1	45	0.0	-46.39	353.47	6.83	-39.56
FC1=CC=C(C2=CC=CC(F)=C2F)C=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224809	0	42	0.0	-52.82	355.21	9.41	-43.41
FC1=CC=C(C2=CC=CC(F)=C2F)C=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224809	1	42	0.0	-47.29	353.77	9.40	-37.89
CN1C=C(CN2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=N1	REAL300020224810	0	34	-1.0	-34.95	285.11	1.03	-33.92
CN1C=C(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020224810	1	35	0.0	-47.62	298.02	4.55	-43.07
CN1C=C(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020224810	1	35	0.0	-51.94	296.04	4.43	-47.51
CN1C=C(CN2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020224810	1	34	-1.0	-34.94	285.18	1.04	-33.90
BrC1(Br)CC1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224811	0	29	0.0	-48.25	271.91	5.40	-42.85
BrC1(Br)CC1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224811	1	29	0.0	-49.03	273.01	5.45	-43.58
BrC1(Br)CC1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224811	1	28	-1.0	-37.08	268.16	3.05	-34.03
FC(F)(F)C1=CSC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224812	0	32	0.0	-47.37	288.92	5.72	-41.65
FC(F)(F)C1=CSC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224812	1	32	0.0	-48.43	288.01	5.77	-42.66
FC(F)(F)C1=CSC(CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224812	1	31	-1.0	-37.54	285.97	3.39	-34.15
FC(F)(F)C1=CSC(CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224812	1	31	-1.0	-37.53	286.04	3.39	-34.14
ClC1=CC=CC(C2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)=C1	REAL300020224813	0	38	0.0	-45.18	331.36	7.19	-37.99
ClC1=CC=CC(C2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)=C1	REAL300020224813	1	38	0.0	-47.43	329.57	7.34	-40.09
ClC1=CC=CC(C2=CC(CN3CCC(C4=N[N-]N=N4)C3)=NO2)=C1	REAL300020224813	1	37	-1.0	-43.80	326.70	4.49	-39.31
ClC1=CC=CC(C2=CC(CN3CCC(C4=NN=N[N-]4)C3)=NO2)=C1	REAL300020224813	1	37	-1.0	-43.79	326.76	4.51	-39.28
FC1=CC=C(C2=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020224814	0	38	0.0	-46.73	321.06	6.75	-39.98
FC1=CC=C(C2=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020224814	1	38	0.0	-49.67	319.33	6.90	-42.77
FC1=CC=C(C2=CC(CN3CCC(C4=N[N-]N=N4)C3)=NO2)C=C1	REAL300020224814	1	37	-1.0	-42.64	317.72	4.39	-38.25
FC1=CC=C(C2=CC(CN3CCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020224814	1	37	-1.0	-42.63	317.79	4.39	-38.24
FC1=CC=CC=C1C1=CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020224815	0	38	0.0	-47.23	322.68	6.80	-40.43
FC1=CC=CC=C1C1=CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020224815	1	38	0.0	-48.69	321.93	6.86	-41.83
FC1=CC=CC=C1C1=CC(CN2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020224815	1	37	-1.0	-42.54	312.67	4.03	-38.51
FC1=CC=CC=C1C1=CC(CN2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020224815	1	37	-1.0	-42.54	312.74	4.04	-38.50
BrC1=NC=CC=C1CN1CCC(C2=N[N-]N=N2)C1	REAL300020224816	0	30	-1.0	-42.61	269.83	2.06	-40.55
BrC1=NC=CC=C1CN1CCC(C2=NN=N[N-]2)C1	REAL300020224816	1	30	-1.0	-42.67	269.90	2.06	-40.61
BrC1=NC=CC=C1C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224816	1	31	0.0	-43.28	270.83	4.33	-38.95
BrC1=NC=CC=C1C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224816	1	31	0.0	-50.59	270.47	4.29	-46.30
CC1=NC=C([N+](=O)[O-])N1CC(O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224817	0	41	0.0	-57.46	330.69	4.92	-52.54
CC1=NC=C([N+](=O)[O-])N1CC(O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224817	1	41	0.0	-56.77	329.09	4.61	-52.16
ClC1=CC=C(Br)C(CN2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224818	0	30	-1.0	-41.96	286.37	2.46	-39.50
ClC1=CC=C(Br)C(CN2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224818	1	30	-1.0	-41.96	286.44	2.46	-39.50
BrC1=CC=C(C2=CC=CC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224819	0	42	0.0	-48.13	353.49	9.57	-38.56
BrC1=CC=C(C2=CC=CC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020224819	1	42	0.0	-48.88	352.67	9.64	-39.24
BrC1=CC=C(C2=CC=CC(C[N@@H+]3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020224819	1	42	0.0	-48.08	353.41	9.55	-38.53
BrC1=CC=C(C2=CC=CC(C[N@H+]3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020224819	1	42	0.0	-48.89	352.59	9.64	-39.25
CN1C2=C(C(=O)N(C)C1=O)N(CCC[N@@H+]1CCC(C3=NN=N[N-]3)C1)C=N2	REAL300020224820	0	47	0.0	-56.49	375.64	7.01	-49.48
CN1C2=C(C(=O)N(C)C1=O)N(CCC[N@H+]1CCC(C3=NN=N[N-]3)C1)C=N2	REAL300020224820	1	47	0.0	-61.65	375.33	7.04	-54.61
CN1C2=C(C(=O)N(C)C1=O)N(CCC[N@@H+]1CCC(C3=N[N-]N=N3)C1)C=N2	REAL300020224820	1	47	0.0	-56.44	375.57	7.00	-49.44
CN1C2=C(C(=O)N(C)C1=O)N(CCC[N@H+]1CCC(C3=N[N-]N=N3)C1)C=N2	REAL300020224820	1	47	0.0	-61.66	375.26	7.03	-54.63
CC(C)(C)OC(=O)N1CCC2(CCC(C[N@@H+]3CCC(C4=NN=N[N-]4)C3)O2)CC1	REAL300020224821	0	60	0.0	-51.39	436.29	7.30	-44.09
CC(C)(C)OC(=O)N1CCC2(CCC(C[N@H+]3CCC(C4=NN=N[N-]4)C3)O2)CC1	REAL300020224821	1	60	0.0	-49.46	436.31	7.31	-42.15
CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)C[N@@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224822	0	56	0.0	-50.88	416.64	5.92	-44.96
CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)C[N@H+]1CCC(C2=NN=N[N-]2)C1	REAL300020224822	1	56	0.0	-55.66	415.69	5.90	-49.76
CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)CN1CCC(C2=N[N-]N=N2)C1	REAL300020224822	1	55	-1.0	-44.72	411.02	3.34	-41.38
CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)CN1CCC(C2=NN=N[N-]2)C1	REAL300020224822	1	55	-1.0	-44.76	411.09	3.36	-41.40
CC(C)(C)OC(=O)NC1CC(C[N@@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224823	0	49	0.0	-53.20	370.71	4.44	-48.76
CC(C)(C)OC(=O)NC1CC(C[N@H+]2CCC(C3=NN=N[N-]3)C2)C1	REAL300020224823	1	49	0.0	-51.47	370.94	4.33	-47.14
CC(C)(C)OC(=O)NC1CC(C[N@@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224823	1	49	0.0	-53.09	370.64	4.44	-48.65
CC(C)(C)OC(=O)NC1CC(C[N@H+]2CCC(C3=N[N-]N=N3)C2)C1	REAL300020224823	1	49	0.0	-51.39	370.88	4.32	-47.07
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2C=CC=C2)=C1	REAL300020224824	0	43	-1.0	-52.50	364.04	7.58	-44.92
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2C=CC=C2)=C1	REAL300020224824	1	43	-1.0	-52.47	363.99	7.55	-44.92
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224825	0	43	-1.0	-43.94	343.68	7.10	-36.84
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224825	1	43	-1.0	-43.99	343.74	7.12	-36.87
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020224826	0	40	-1.0	-52.43	329.68	6.15	-46.28
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020224826	1	40	-1.0	-52.40	329.74	6.16	-46.24
CSCC[C@H](NC(=O)NC1=CC=CC(N2C=CC=C2)=C1)C1=N[N-]N=N1	REAL300020224827	0	43	-1.0	-46.22	373.18	6.11	-40.11
CSCC[C@H](NC(=O)NC1=CC=CC(N2C=CC=C2)=C1)C1=NN=N[N-]1	REAL300020224827	1	43	-1.0	-46.24	373.24	6.12	-40.12
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224828	0	40	-1.0	-43.65	330.74	6.22	-37.43
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224828	1	40	-1.0	-43.64	330.82	6.24	-37.40
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020224829	0	46	-1.0	-42.63	359.39	7.26	-35.37
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020224829	1	46	-1.0	-42.64	359.44	7.28	-35.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(N2C=CC=C2)=CC=C1F	REAL300020224830	0	43	-1.0	-49.93	369.61	7.74	-42.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(N2C=CC=C2)=CC=C1F	REAL300020224830	1	43	-1.0	-49.94	369.55	7.71	-42.23
O=C(NC1=CC(N2C=CC=C2)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224831	0	43	-1.0	-45.01	351.00	7.18	-37.83
O=C(NC1=CC(N2C=CC=C2)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224831	1	43	-1.0	-44.99	351.05	7.19	-37.80
O=C(NC1=CC(N2C=CC=C2)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020224832	0	40	-1.0	-54.50	334.48	6.27	-48.23
O=C(NC1=CC(N2C=CC=C2)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020224832	1	40	-1.0	-54.51	334.54	6.30	-48.21
CSCC[C@H](NC(=O)NC1=CC(N2C=CC=C2)=CC=C1F)C1=N[N-]N=N1	REAL300020224833	0	43	-1.0	-47.87	378.81	6.26	-41.61
CSCC[C@H](NC(=O)NC1=CC(N2C=CC=C2)=CC=C1F)C1=NN=N[N-]1	REAL300020224833	1	43	-1.0	-47.85	378.87	6.28	-41.57
O=C(NC1=CC(N2C=CC=C2)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020224834	0	40	-1.0	-44.93	336.63	6.33	-38.60
O=C(NC1=CC(N2C=CC=C2)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020224834	1	40	-1.0	-44.94	336.71	6.35	-38.59
O=C(NC1=CC(N2C=CC=C2)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020224835	0	46	-1.0	-50.08	358.49	8.07	-42.01
O=C(NC1=CC(N2C=CC=C2)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020224835	1	46	-1.0	-50.04	358.54	8.07	-41.97
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2C=CC=N2)=C1	REAL300020224836	0	42	-1.0	-67.37	361.66	5.96	-61.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2C=CC=N2)=C1	REAL300020224836	1	42	-1.0	-67.32	361.60	5.93	-61.39
O=C(NC1=CC=CC(N2C=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224837	0	42	-1.0	-52.75	342.30	5.53	-47.22
O=C(NC1=CC=CC(N2C=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224837	1	42	-1.0	-52.81	342.24	5.52	-47.29
O=C(NC1=CC=CC(N2C=CC=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020224838	0	39	-1.0	-70.46	326.90	4.61	-65.85
O=C(NC1=CC=CC(N2C=CC=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020224838	1	39	-1.0	-70.45	326.84	4.60	-65.85
CSCC[C@H](NC(=O)NC1=CC=CC(N2C=CC=N2)=C1)C1=NN=N[N-]1	REAL300020224839	0	42	-1.0	-56.58	370.76	4.54	-52.04
CSCC[C@H](NC(=O)NC1=CC=CC(N2C=CC=N2)=C1)C1=N[N-]N=N1	REAL300020224839	1	42	-1.0	-56.56	370.71	4.53	-52.03
O=C(NC1=CC=CC(N2C=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224840	0	39	-1.0	-55.59	328.61	4.64	-50.95
O=C(NC1=CC=CC(N2C=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224840	1	39	-1.0	-55.61	328.54	4.62	-50.99
O=C(NC1=CC=CC(N2C=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020224841	0	45	-1.0	-49.47	356.98	5.69	-43.78
O=C(NC1=CC=CC(N2C=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020224841	1	45	-1.0	-49.43	356.93	5.68	-43.75
O=C(NC1=CC=C(N2CCNC(=O)C2)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020224842	0	45	-1.0	-55.64	378.31	1.64	-54.00
O=C(NC1=CC=C(N2CCNC(=O)C2)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020224842	1	45	-1.0	-55.62	378.36	1.65	-53.97
O=C(NC1=CC=C(N2CCNC(=O)C2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224843	0	45	-1.0	-47.07	379.68	1.69	-45.38
O=C(NC1=CC=C(N2CCNC(=O)C2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224843	1	45	-1.0	-47.10	379.76	1.70	-45.40
CN(C)C1=C(Cl)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224844	0	43	-1.0	-41.59	364.76	4.84	-36.75
CN(C)C1=C(Cl)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224844	1	43	-1.0	-41.57	364.70	4.82	-36.75
CN(C)C1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224845	0	43	-1.0	-40.69	345.77	4.30	-36.39
CN(C)C1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224845	1	43	-1.0	-40.71	345.83	4.31	-36.40
CN(C)C1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020224846	0	40	-1.0	-50.36	330.48	3.41	-46.95
CN(C)C1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020224846	1	40	-1.0	-50.39	330.54	3.42	-46.97
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1N(C)C)C1=N[N-]N=N1	REAL300020224847	0	43	-1.0	-44.34	373.99	3.36	-40.98
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1N(C)C)C1=NN=N[N-]1	REAL300020224847	1	43	-1.0	-44.37	374.05	3.38	-40.99
CN(C)C1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020224848	0	40	-1.0	-40.66	330.74	3.53	-37.13
CN(C)C1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020224848	1	40	-1.0	-40.69	330.81	3.55	-37.14
CN(C)C1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020224849	0	46	-1.0	-46.54	353.68	5.21	-41.33
CN(C)C1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020224849	1	46	-1.0	-46.53	353.73	5.22	-41.31
CN(C(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)C1CCOCC1	REAL300020224850	0	53	-1.0	-60.84	411.22	4.24	-56.60
CN(C(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)C1CCOCC1	REAL300020224850	1	53	-1.0	-60.85	411.28	4.26	-56.59
CN(C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1CCOCC1	REAL300020224851	0	53	-1.0	-46.48	410.96	4.24	-42.24
CN(C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1CCOCC1	REAL300020224851	1	53	-1.0	-46.46	411.04	4.26	-42.20
CCCNC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020224852	0	48	-1.0	-71.26	402.77	4.64	-66.62
CCCNC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020224852	1	48	-1.0	-71.29	402.71	4.62	-66.67
CCCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020224853	0	48	-1.0	-47.66	382.32	4.21	-43.45
CCCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020224853	1	48	-1.0	-47.66	382.38	4.22	-43.44
CCCNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020224854	0	45	-1.0	-74.05	367.95	3.28	-70.77
CCCNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020224854	1	45	-1.0	-74.08	368.01	3.30	-70.78
CCCNC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020224855	0	48	-1.0	-65.87	411.75	3.21	-62.66
CCCNC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020224855	1	48	-1.0	-65.85	411.81	3.23	-62.62
CCCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224856	0	45	-1.0	-56.83	369.32	3.34	-53.49
CCCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224856	1	45	-1.0	-56.78	369.39	3.34	-53.44
CCCNC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020224857	0	51	-1.0	-50.11	397.96	4.36	-45.75
CCCNC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020224857	1	51	-1.0	-50.05	398.01	4.39	-45.66
COC(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020224858	0	45	-1.0	-52.62	388.98	5.68	-46.94
COC(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020224858	1	45	-1.0	-52.61	389.04	5.71	-46.90
COC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020224859	0	45	-1.0	-47.58	368.48	5.22	-42.36
COC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020224859	1	45	-1.0	-47.57	368.53	5.24	-42.33
COC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020224860	0	42	-1.0	-63.55	354.35	4.31	-59.24
COC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020224860	1	42	-1.0	-63.53	354.40	4.32	-59.21
COC(=O)COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020224861	0	45	-1.0	-50.68	398.16	4.23	-46.45
COC(=O)COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020224861	1	45	-1.0	-50.67	398.22	4.25	-46.42
COC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224862	0	42	-1.0	-47.62	356.05	4.34	-43.28
COC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224862	1	42	-1.0	-47.61	356.12	4.34	-43.27
COC(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020224863	0	48	-1.0	-51.97	377.93	6.11	-45.86
COC(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020224863	1	48	-1.0	-51.98	377.98	6.11	-45.87
CC1=CC(N(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224864	0	46	-1.0	-46.03	372.44	6.10	-39.93
CC1=CC(N(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224864	1	46	-1.0	-46.04	372.38	6.08	-39.96
CC1=CC(N(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224865	0	46	-1.0	-44.49	353.46	5.58	-38.91
CC1=CC(N(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224865	1	46	-1.0	-44.50	353.51	5.60	-38.90
CC1=CC(N(C)C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020224866	0	43	-1.0	-57.61	336.89	4.63	-52.98
CC1=CC(N(C)C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020224866	1	43	-1.0	-57.61	336.95	4.65	-52.96
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C)C=C1C)C1=N[N-]N=N1	REAL300020224867	0	46	-1.0	-48.15	382.36	4.60	-43.55
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C)C=C1C)C1=NN=N[N-]1	REAL300020224867	1	46	-1.0	-48.17	382.42	4.62	-43.55
CC1=CC(N(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020224868	0	43	-1.0	-45.34	338.41	4.67	-40.67
CC1=CC(N(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020224868	1	43	-1.0	-45.31	338.48	4.69	-40.62
CC1=CC(N(C)C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020224869	0	49	-1.0	-52.28	361.63	6.53	-45.75
CC1=CC(N(C)C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020224869	1	49	-1.0	-52.28	361.68	6.53	-45.75
NC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020224870	0	39	-1.0	-48.00	342.28	1.66	-46.34
NC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020224870	1	39	-1.0	-47.97	342.23	1.64	-46.33
NC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020224871	0	39	-1.0	-48.54	321.84	1.21	-47.33
NC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020224871	1	39	-1.0	-48.55	321.89	1.22	-47.33
NC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020224872	0	36	-1.0	-56.12	307.89	0.22	-55.90
NC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020224872	1	36	-1.0	-56.15	307.95	0.24	-55.91
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020224873	0	39	-1.0	-49.03	351.40	0.20	-48.83
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020224873	1	39	-1.0	-49.02	351.46	0.22	-48.80
NC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020224874	0	36	-1.0	-49.31	309.26	0.29	-49.02
NC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020224874	1	36	-1.0	-49.29	309.33	0.30	-48.99
NC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020224875	0	42	-1.0	-40.58	335.64	1.34	-39.24
NC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020224875	1	42	-1.0	-40.57	335.68	1.35	-39.22
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224876	0	45	-1.0	-60.29	384.74	7.85	-52.44
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224876	1	45	-1.0	-60.28	384.68	7.82	-52.46
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224877	0	45	-1.0	-53.00	365.52	7.38	-45.62
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224877	1	45	-1.0	-53.03	365.47	7.36	-45.67
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020224878	0	42	-1.0	-67.98	350.08	6.45	-61.53
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020224878	1	42	-1.0	-67.95	350.02	6.44	-61.51
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2)C=C1C)C1=NN=N[N-]1	REAL300020224879	0	45	-1.0	-58.93	393.70	6.43	-52.50
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2)C=C1C)C1=N[N-]N=N1	REAL300020224879	1	45	-1.0	-58.97	393.64	6.41	-52.56
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020224880	0	42	-1.0	-54.64	351.55	6.51	-48.13
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020224880	1	42	-1.0	-54.64	351.48	6.50	-48.14
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020224881	0	48	-1.0	-63.47	374.00	8.24	-55.23
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020224881	1	48	-1.0	-63.46	373.95	8.23	-55.23
CC1=CC(Cl)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224882	0	38	-1.0	-43.42	338.34	6.24	-37.18
CC1=CC(Cl)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224882	1	38	-1.0	-43.37	338.28	6.21	-37.16
CC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224883	0	38	-1.0	-42.16	319.31	5.71	-36.45
CC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224883	1	38	-1.0	-42.14	319.36	5.73	-36.41
CC1=CC(Cl)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020224884	0	35	-1.0	-53.47	302.87	4.77	-48.70
CC1=CC(Cl)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020224884	1	35	-1.0	-53.47	302.93	4.79	-48.68
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020224885	0	38	-1.0	-44.73	347.53	4.76	-39.97
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020224885	1	38	-1.0	-44.75	347.59	4.77	-39.98
CC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020224886	0	35	-1.0	-42.62	304.39	4.81	-37.81
CC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020224886	1	35	-1.0	-42.63	304.47	4.83	-37.80
CC1=CC(Cl)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020224887	0	41	-1.0	-48.44	326.83	6.64	-41.80
CC1=CC(Cl)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020224887	1	41	-1.0	-48.45	326.88	6.65	-41.80
O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224888	0	46	-1.0	-55.31	392.97	7.63	-47.68
O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224888	1	46	-1.0	-55.31	392.91	7.60	-47.71
O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224889	0	46	-1.0	-45.27	371.52	7.15	-38.12
O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224889	1	46	-1.0	-45.31	371.58	7.16	-38.15
O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020224890	0	43	-1.0	-53.46	357.92	6.22	-47.24
O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020224890	1	43	-1.0	-53.50	357.97	6.24	-47.26
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020224891	0	46	-1.0	-49.17	401.49	6.19	-42.98
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020224891	1	46	-1.0	-49.14	401.55	6.20	-42.94
O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224892	0	43	-1.0	-45.33	359.34	6.28	-39.05
O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224892	1	43	-1.0	-45.33	359.42	6.29	-39.04
O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020224893	0	49	-1.0	-50.91	382.15	8.08	-42.83
O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020224893	1	49	-1.0	-50.88	382.21	8.09	-42.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1F	REAL300020224894	0	35	-1.0	-40.78	307.81	4.89	-35.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1F	REAL300020224894	1	35	-1.0	-40.80	307.75	4.86	-35.94
CSCC[C@H](NC(=O)NC1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020224895	0	35	-1.0	-45.33	317.12	3.45	-41.88
CSCC[C@H](NC(=O)NC1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020224895	1	35	-1.0	-45.32	317.18	3.46	-41.86
O=C(NC1=CC=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020224896	0	38	-1.0	-47.87	297.42	5.39	-42.48
O=C(NC1=CC=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020224896	1	38	-1.0	-47.86	297.47	5.40	-42.46
CC1=C(Cl)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224897	0	38	-1.0	-50.71	335.66	6.12	-44.59
CC1=C(Cl)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224897	1	38	-1.0	-50.70	335.61	6.09	-44.61
CC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224898	0	38	-1.0	-41.84	315.37	5.61	-36.23
CC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224898	1	38	-1.0	-41.82	315.43	5.63	-36.19
CC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020224899	0	35	-1.0	-51.64	300.17	4.69	-46.95
CC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020224899	1	35	-1.0	-51.65	300.23	4.70	-46.95
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1C)C1=N[N-]N=N1	REAL300020224900	0	38	-1.0	-44.85	343.87	4.63	-40.22
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1C)C1=NN=N[N-]1	REAL300020224900	1	38	-1.0	-44.86	343.93	4.64	-40.22
CC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020224901	0	35	-1.0	-41.70	301.72	4.73	-36.97
CC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020224901	1	35	-1.0	-41.70	301.79	4.75	-36.95
CC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020224902	0	41	-1.0	-46.61	323.98	6.45	-40.16
CC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020224902	1	41	-1.0	-46.67	324.03	6.44	-40.23
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C=C1Cl	REAL300020224903	0	35	-1.0	-38.30	333.52	5.92	-32.38
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C=C1Cl	REAL300020224903	1	35	-1.0	-38.24	333.46	5.90	-32.34
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224904	0	35	-1.0	-39.35	315.51	5.44	-33.91
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224904	1	35	-1.0	-39.34	315.57	5.45	-33.89
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020224905	0	32	-1.0	-48.09	300.20	4.52	-43.57
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020224905	1	32	-1.0	-48.13	300.26	4.55	-43.58
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020224906	0	35	-1.0	-42.00	343.74	4.51	-37.49
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020224906	1	35	-1.0	-42.05	343.80	4.52	-37.53
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020224907	0	32	-1.0	-39.53	301.55	4.58	-34.95
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020224907	1	32	-1.0	-39.54	301.62	4.59	-34.95
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020224908	0	38	-1.0	-44.71	323.12	6.42	-38.29
O=C(NC1=CC=C(Cl)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020224908	1	38	-1.0	-44.68	323.17	6.43	-38.25
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224909	0	45	-1.0	-43.22	377.36	8.21	-35.01
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224909	1	45	-1.0	-43.21	377.31	8.18	-35.03
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224910	0	45	-1.0	-44.98	356.94	7.72	-37.26
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224910	1	45	-1.0	-45.01	357.00	7.74	-37.27
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020224911	0	42	-1.0	-54.58	342.92	6.77	-47.81
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020224911	1	42	-1.0	-54.58	342.98	6.78	-47.80
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020224912	0	45	-1.0	-50.22	386.45	6.75	-43.47
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020224912	1	45	-1.0	-50.24	386.51	6.76	-43.48
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224913	0	42	-1.0	-45.53	344.30	6.83	-38.70
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224913	1	42	-1.0	-45.51	344.37	6.85	-38.66
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020224914	0	48	-1.0	-50.88	366.22	8.62	-42.26
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020224914	1	48	-1.0	-50.90	366.27	8.63	-42.27
CC1=CC(I)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020224915	0	35	-1.0	-53.16	313.92	5.35	-47.81
CC1=CC(I)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020224915	1	35	-1.0	-53.22	313.98	5.38	-47.84
CC1=CC(I)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020224916	0	35	-1.0	-42.38	315.44	5.39	-36.99
CC1=CC(I)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020224916	1	35	-1.0	-42.37	315.51	5.41	-36.96
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=CC(Cl)=C1	REAL300020224917	0	35	-1.0	-40.31	336.77	5.78	-34.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=CC(Cl)=C1	REAL300020224917	1	35	-1.0	-40.27	336.71	5.76	-34.51
O=C(NC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224918	0	35	-1.0	-41.85	317.51	5.31	-36.54
O=C(NC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224918	1	35	-1.0	-41.87	317.57	5.32	-36.55
O=C(NC1=CC(Cl)=CC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020224919	0	32	-1.0	-51.72	301.95	4.42	-47.30
O=C(NC1=CC(Cl)=CC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020224919	1	32	-1.0	-51.73	302.01	4.45	-47.28
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020224920	0	35	-1.0	-45.00	345.48	4.38	-40.62
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020224920	1	35	-1.0	-45.08	345.54	4.40	-40.68
O=C(NC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224921	0	32	-1.0	-41.85	303.31	4.47	-37.38
O=C(NC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224921	1	32	-1.0	-41.89	303.39	4.48	-37.41
O=C(NC1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020224922	0	38	-1.0	-45.78	325.62	6.20	-39.58
O=C(NC1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020224922	1	38	-1.0	-45.79	325.68	6.22	-39.57
O=C([N-]C1=NC2=CC=CC=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224923	0	36	-2.0	-94.34	333.72	4.61	-89.73
O=C([N-]C1=NC2=CC=CC=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224923	1	36	-2.0	-94.33	333.66	4.58	-89.75
O=C(NC1=NC2=CC=CC=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224923	1	37	-1.0	-47.18	336.98	5.80	-41.38
O=C(NC1=NC2=CC=CC=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224923	1	37	-1.0	-47.16	336.92	5.77	-41.39
O=C(NC1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224924	0	37	-1.0	-44.53	315.74	4.91	-39.62
O=C(NC1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224924	1	37	-1.0	-44.48	315.68	4.89	-39.59
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224924	1	36	-2.0	-96.56	316.73	4.48	-92.08
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224924	1	36	-2.0	-96.55	316.68	4.47	-92.08
O=C(NC1=NC2=CC=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020224925	0	34	-1.0	-61.58	302.33	4.39	-57.19
O=C(NC1=NC2=CC=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020224925	1	34	-1.0	-61.57	302.27	4.39	-57.18
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020224925	1	33	-2.0	-120.39	300.88	3.34	-117.05
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020224925	1	33	-2.0	-120.39	300.94	3.37	-117.02
CSCC[C@H](NC(=O)NC1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020224926	0	37	-1.0	-53.51	345.96	4.37	-49.14
CSCC[C@H](NC(=O)NC1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020224926	1	37	-1.0	-53.49	345.90	4.36	-49.13
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020224926	1	36	-2.0	-109.91	342.65	3.17	-106.74
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020224926	1	36	-2.0	-109.88	342.71	3.18	-106.70
O=C(NC1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224927	0	34	-1.0	-43.29	301.74	4.04	-39.25
O=C(NC1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224927	1	34	-1.0	-43.26	301.66	4.02	-39.24
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224927	1	33	-2.0	-92.94	299.61	2.98	-89.96
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224927	1	33	-2.0	-92.95	299.54	2.98	-89.97
O=C(NC1=NC2=CC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020224928	0	40	-1.0	-57.24	326.02	6.18	-51.06
O=C(NC1=NC2=CC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020224928	1	40	-1.0	-57.20	325.97	6.17	-51.03
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020224928	1	39	-2.0	-103.39	330.00	5.07	-98.32
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020224928	1	39	-2.0	-103.37	329.94	5.05	-98.32
CCN(CC)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020224929	0	49	-1.0	-58.31	405.46	3.08	-55.23
CCN(CC)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020224929	1	49	-1.0	-58.35	405.52	3.09	-55.26
CCN(CC)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224930	0	49	-1.0	-48.87	406.59	3.17	-45.70
CCN(CC)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224930	1	49	-1.0	-48.88	406.67	3.17	-45.71
O=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020224931	0	38	-1.0	-52.23	346.27	5.41	-46.82
O=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020224931	1	38	-1.0	-52.24	346.33	5.43	-46.81
O=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224932	0	38	-1.0	-42.52	347.64	5.46	-37.06
O=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224932	1	38	-1.0	-42.53	347.72	5.47	-37.06
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020224933	0	38	-1.0	-40.06	338.19	6.08	-33.98
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020224933	1	38	-1.0	-40.02	338.14	6.06	-33.96
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020224934	0	38	-1.0	-41.85	318.94	5.60	-36.25
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020224934	1	38	-1.0	-41.84	319.00	5.62	-36.22
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020224935	0	35	-1.0	-51.52	304.87	4.68	-46.84
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020224935	1	35	-1.0	-51.53	304.93	4.71	-46.82
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300020224936	0	38	-1.0	-44.88	348.41	4.66	-40.22
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300020224936	1	38	-1.0	-44.91	348.47	4.68	-40.23
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020224937	0	35	-1.0	-41.60	306.23	4.74	-36.86
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020224937	1	35	-1.0	-41.61	306.30	4.75	-36.86
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020224938	0	41	-1.0	-47.42	327.79	6.58	-40.84
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020224938	1	41	-1.0	-47.41	327.84	6.58	-40.83
O=C(NC1=CC=C(N=NC2=CC=CC=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224939	0	47	-1.0	-53.74	405.88	7.16	-46.58
O=C(NC1=CC=C(N=NC2=CC=CC=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224939	1	47	-1.0	-53.72	405.93	7.19	-46.53
O=C(NC1=CC=C(N=NC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224940	0	47	-1.0	-46.90	387.01	6.67	-40.23
O=C(NC1=CC=C(N=NC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224940	1	47	-1.0	-46.90	387.07	6.68	-40.22
O=C(NC1=CC=C(N=NC2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020224941	0	44	-1.0	-55.06	371.86	5.71	-49.35
O=C(NC1=CC=C(N=NC2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020224941	1	44	-1.0	-55.09	371.92	5.73	-49.36
CSCC[C@H](NC(=O)NC1=CC=C(N=NC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020224942	0	47	-1.0	-50.12	415.39	5.68	-44.44
CSCC[C@H](NC(=O)NC1=CC=C(N=NC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020224942	1	47	-1.0	-50.13	415.44	5.70	-44.43
O=C(NC1=CC=C(N=NC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224943	0	44	-1.0	-48.12	373.28	5.78	-42.34
O=C(NC1=CC=C(N=NC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224943	1	44	-1.0	-48.13	373.35	5.78	-42.35
O=C(NC1=CC=C(N=NC2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020224944	0	50	-1.0	-54.09	395.16	7.56	-46.53
O=C(NC1=CC=C(N=NC2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020224944	1	50	-1.0	-54.04	395.21	7.56	-46.48
O=C(NC1=CC=C(I)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224945	0	35	-1.0	-42.33	312.04	5.38	-36.95
O=C(NC1=CC=C(I)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224945	1	35	-1.0	-42.34	312.10	5.40	-36.94
O=C(NC1=CC=C(I)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020224946	0	32	-1.0	-52.77	296.25	4.49	-48.28
O=C(NC1=CC=C(I)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020224946	1	32	-1.0	-52.84	296.31	4.51	-48.33
O=C(NC1=CC=C(I)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224947	0	32	-1.0	-42.66	297.90	4.52	-38.14
O=C(NC1=CC=C(I)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224947	1	32	-1.0	-42.66	297.98	4.54	-38.12
CCCCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020224948	0	47	-1.0	-54.06	389.20	7.76	-46.30
CCCCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020224948	1	47	-1.0	-54.06	389.14	7.73	-46.33
CCCCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020224949	0	47	-1.0	-43.61	370.15	7.28	-36.33
CCCCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020224949	1	47	-1.0	-43.61	370.21	7.30	-36.31
CCCCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020224950	0	44	-1.0	-53.15	354.64	6.36	-46.79
CCCCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020224950	1	44	-1.0	-53.16	354.70	6.37	-46.79
CCCCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020224951	0	47	-1.0	-48.68	398.17	6.33	-42.35
CCCCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020224951	1	47	-1.0	-48.68	398.23	6.34	-42.34
CCCCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224952	0	44	-1.0	-43.77	355.76	6.45	-37.32
CCCCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224952	1	44	-1.0	-43.78	355.83	6.46	-37.32
CCCCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020224953	0	50	-1.0	-49.60	377.93	8.20	-41.40
CCCCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020224953	1	50	-1.0	-49.59	377.98	8.21	-41.38
CCOC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020224954	0	42	-2.0	-94.22	382.29	4.14	-90.08
CCOC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020224954	1	42	-2.0	-94.24	382.35	4.16	-90.08
CCOC(=O)CC1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020224954	1	43	-1.0	-45.77	385.56	5.33	-40.44
CCOC(=O)CC1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020224954	1	43	-1.0	-45.75	385.62	5.35	-40.40
CCOC(=O)CC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020224955	0	43	-1.0	-48.04	366.37	4.89	-43.15
CCOC(=O)CC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020224955	1	43	-1.0	-48.08	366.43	4.90	-43.18
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020224955	1	42	-2.0	-95.71	365.35	4.03	-91.68
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020224955	1	42	-2.0	-95.73	365.41	4.05	-91.68
CCOC(=O)CC1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020224956	0	40	-1.0	-55.33	350.93	3.95	-51.38
CCOC(=O)CC1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020224956	1	40	-1.0	-55.34	350.98	3.97	-51.37
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020224956	1	39	-2.0	-117.18	349.51	2.91	-114.27
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020224956	1	39	-2.0	-117.16	349.56	2.94	-114.22
CCOC(=O)CC1=CSC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020224957	0	43	-1.0	-49.82	394.54	3.92	-45.90
CCOC(=O)CC1=CSC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020224957	1	43	-1.0	-49.83	394.60	3.94	-45.89
CCOC(=O)CC1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020224957	1	42	-2.0	-108.21	391.27	2.73	-105.48
CCOC(=O)CC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224958	0	40	-1.0	-45.76	352.39	4.00	-41.76
CCOC(=O)CC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224958	1	40	-1.0	-45.78	352.46	4.01	-41.77
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224958	1	39	-2.0	-96.20	350.30	2.97	-93.23
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224958	1	39	-2.0	-96.26	350.38	2.99	-93.27
CCOC(=O)CC1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020224959	0	46	-1.0	-51.67	374.62	5.74	-45.93
CCOC(=O)CC1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020224959	1	46	-1.0	-51.69	374.67	5.74	-45.95
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020224959	1	45	-2.0	-111.66	373.92	5.02	-106.64
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020224959	1	45	-2.0	-111.75	373.96	5.04	-106.71
CC(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020224960	0	44	-1.0	-54.25	363.50	6.68	-47.57
CC(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020224960	1	44	-1.0	-54.23	363.45	6.66	-47.57
CC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020224961	0	44	-1.0	-44.21	344.37	6.20	-38.01
CC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020224961	1	44	-1.0	-44.25	344.42	6.22	-38.03
CC(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020224962	0	41	-1.0	-55.59	328.66	5.31	-50.28
CC(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020224962	1	41	-1.0	-55.59	328.72	5.32	-50.27
CSCC[C@H](NC(=O)NC1=CC=C(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020224963	0	44	-1.0	-48.64	372.47	5.24	-43.40
CSCC[C@H](NC(=O)NC1=CC=C(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020224963	1	44	-1.0	-48.70	372.52	5.26	-43.44
CC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020224964	0	41	-1.0	-44.07	330.32	5.35	-38.72
CC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020224964	1	41	-1.0	-44.09	330.39	5.35	-38.74
CC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020224965	0	47	-1.0	-41.47	356.78	6.38	-35.09
CC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020224965	1	47	-1.0	-41.46	356.83	6.38	-35.08
O=C(NC1=CC=C(OC(F)(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224966	0	39	-1.0	-48.84	349.12	4.55	-44.29
O=C(NC1=CC=C(OC(F)(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224966	1	39	-1.0	-48.84	349.18	4.58	-44.26
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224967	0	39	-1.0	-43.61	328.88	4.12	-39.49
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224967	1	39	-1.0	-43.60	328.93	4.14	-39.46
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020224968	0	36	-1.0	-51.56	314.56	3.18	-48.38
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020224968	1	36	-1.0	-51.59	314.61	3.19	-48.40
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020224969	0	39	-1.0	-45.33	358.29	3.11	-42.22
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020224969	1	39	-1.0	-45.31	358.35	3.12	-42.19
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224970	0	36	-1.0	-43.78	316.19	3.21	-40.57
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224970	1	36	-1.0	-43.83	316.26	3.21	-40.62
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020224971	0	42	-1.0	-49.29	338.74	5.07	-44.22
O=C(NC1=CC=C(OC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020224971	1	42	-1.0	-49.29	338.79	5.08	-44.21
O=C(NC1=CC2=C(C=C1)OC1=C2C=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224972	0	44	-1.0	-54.44	377.13	7.52	-46.92
O=C(NC1=CC2=C(C=C1)OC1=C2C=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224972	1	44	-1.0	-54.48	377.07	7.50	-46.98
O=C(NC1=CC2=C(C=C1)OC1=C2C=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224973	0	44	-1.0	-48.60	358.16	7.02	-41.58
O=C(NC1=CC2=C(C=C1)OC1=C2C=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224973	1	44	-1.0	-48.64	358.22	7.04	-41.60
O=C(NC1=CC2=C(C=C1)OC1=C2C=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020224974	0	41	-1.0	-62.26	342.74	6.10	-56.16
O=C(NC1=CC2=C(C=C1)OC1=C2C=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020224974	1	41	-1.0	-62.28	342.80	6.12	-56.16
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1)OC1=C2C=CC=C1)C1=N[N-]N=N1	REAL300020224975	0	44	-1.0	-51.31	386.58	6.04	-45.27
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1)OC1=C2C=CC=C1)C1=NN=N[N-]1	REAL300020224975	1	44	-1.0	-51.30	386.64	6.05	-45.25
O=C(NC1=CC2=C(C=C1)OC1=C2C=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224976	0	41	-1.0	-49.16	344.13	6.15	-43.01
O=C(NC1=CC2=C(C=C1)OC1=C2C=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224976	1	41	-1.0	-49.20	344.20	6.16	-43.04
O=C(NC1=CC2=C(C=C1)OC1=C2C=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020224977	0	47	-1.0	-45.04	370.80	7.18	-37.86
O=C(NC1=CC2=C(C=C1)OC1=C2C=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020224977	1	47	-1.0	-45.10	370.84	7.18	-37.92
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020224978	0	46	-1.0	-52.38	378.92	2.32	-50.06
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020224978	1	46	-1.0	-52.41	378.98	2.34	-50.07
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020224979	0	43	-1.0	-57.67	364.29	1.37	-56.30
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020224979	1	43	-1.0	-57.71	364.35	1.38	-56.33
CSCC[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020224980	0	46	-1.0	-59.41	407.01	1.36	-58.05
CSCC[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020224980	1	46	-1.0	-59.42	407.07	1.38	-58.04
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020224981	0	43	-1.0	-48.00	365.45	1.44	-46.56
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020224981	1	43	-1.0	-48.00	365.52	1.45	-46.55
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020224982	0	49	-1.0	-54.15	387.64	3.17	-50.98
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020224982	1	49	-1.0	-54.18	387.70	3.19	-50.99
O=C(NC1=CC=C(N2CCCCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224983	0	50	-1.0	-42.00	396.29	6.03	-35.97
O=C(NC1=CC=C(N2CCCCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224983	1	50	-1.0	-41.97	396.24	6.00	-35.97
O=C(NC1=CC=C(N2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224984	0	50	-1.0	-43.99	377.25	5.55	-38.44
O=C(NC1=CC=C(N2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224984	1	50	-1.0	-43.95	377.30	5.57	-38.38
O=C(NC1=CC=C(N2CCCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020224985	0	47	-1.0	-56.45	361.58	4.65	-51.80
O=C(NC1=CC=C(N2CCCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020224985	1	47	-1.0	-56.44	361.64	4.66	-51.78
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300020224986	0	50	-1.0	-48.46	404.99	4.63	-43.83
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300020224986	1	50	-1.0	-48.41	405.05	4.64	-43.77
O=C(NC1=CC=C(N2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020224987	0	47	-1.0	-43.88	362.83	4.71	-39.17
O=C(NC1=CC=C(N2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020224987	1	47	-1.0	-43.91	362.90	4.72	-39.19
O=C(NC1=CC=C(N2CCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020224988	0	53	-1.0	-49.41	385.05	6.45	-42.96
O=C(NC1=CC=C(N2CCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020224988	1	53	-1.0	-49.36	385.10	6.46	-42.90
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020224989	0	36	-1.0	-49.52	323.98	5.20	-44.32
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020224989	1	36	-1.0	-49.49	323.92	5.17	-44.32
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020224990	0	36	-1.0	-47.98	333.09	3.73	-44.25
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020224990	1	36	-1.0	-47.96	333.15	3.74	-44.22
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020224991	0	39	-1.0	-47.75	312.87	5.60	-42.15
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020224991	1	39	-1.0	-47.73	312.92	5.61	-42.12
CC(C)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224992	0	44	-1.0	-41.61	359.25	6.93	-34.68
CC(C)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224992	1	44	-1.0	-41.61	359.19	6.90	-34.71
CC(C)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224993	0	44	-1.0	-43.45	341.10	6.41	-37.04
CC(C)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224993	1	44	-1.0	-43.46	341.16	6.43	-37.03
CC(C)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020224994	0	41	-1.0	-53.66	324.58	5.49	-48.17
CC(C)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020224994	1	41	-1.0	-53.66	324.64	5.50	-48.16
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(C)C)C1=N[N-]N=N1	REAL300020224995	0	44	-1.0	-47.86	368.09	5.45	-42.41
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(C)C)C1=NN=N[N-]1	REAL300020224995	1	44	-1.0	-47.91	368.14	5.46	-42.45
CC(C)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020224996	0	41	-1.0	-43.57	326.88	5.59	-37.98
CC(C)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020224996	1	41	-1.0	-43.58	326.95	5.60	-37.98
CC(C)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020224997	0	47	-1.0	-48.94	344.46	6.73	-42.21
CC(C)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020224997	1	47	-1.0	-48.93	344.49	6.73	-42.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C(F)=C1F	REAL300020224998	0	35	-1.0	-45.98	320.38	5.01	-40.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C(F)=C1F	REAL300020224998	1	35	-1.0	-45.98	320.33	4.99	-40.99
O=C(NC1=CC=C(F)C(F)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020224999	0	35	-1.0	-40.61	301.17	4.54	-36.07
O=C(NC1=CC=C(F)C(F)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020224999	1	35	-1.0	-40.62	301.22	4.56	-36.06
O=C(NC1=CC=C(F)C(F)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020225000	0	32	-1.0	-46.24	286.19	3.61	-42.63
O=C(NC1=CC=C(F)C(F)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020225000	1	32	-1.0	-46.25	286.25	3.63	-42.62
CSCC[C@H](NC(=O)NC1=CC=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL300020225001	0	35	-1.0	-39.91	329.71	3.56	-36.35
CSCC[C@H](NC(=O)NC1=CC=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL300020225001	1	35	-1.0	-39.94	329.77	3.58	-36.36
O=C(NC1=CC=C(F)C(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020225002	0	32	-1.0	-39.54	288.38	3.67	-35.87
O=C(NC1=CC=C(F)C(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020225002	1	32	-1.0	-39.54	288.45	3.68	-35.86
O=C(NC1=CC=C(F)C(F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020225003	0	38	-1.0	-43.52	310.18	5.41	-38.11
O=C(NC1=CC=C(F)C(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020225003	1	38	-1.0	-43.50	310.24	5.41	-38.09
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C=C1F	REAL300020225004	0	35	-1.0	-40.66	315.17	5.01	-35.65
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C=C1F	REAL300020225004	1	35	-1.0	-40.66	315.11	4.99	-35.67
O=C(NC1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225005	0	35	-1.0	-40.13	295.44	4.48	-35.65
O=C(NC1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225005	1	35	-1.0	-40.17	295.50	4.49	-35.68
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020225006	0	35	-1.0	-42.24	323.53	3.53	-38.71
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020225006	1	35	-1.0	-42.17	323.59	3.54	-38.63
O=C(NC1=CC=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020225007	0	38	-1.0	-44.87	303.83	5.46	-39.41
O=C(NC1=CC=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020225007	1	38	-1.0	-44.90	303.88	5.47	-39.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC=C1F	REAL300020225008	0	35	-1.0	-52.94	314.20	4.97	-47.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC=C1F	REAL300020225008	1	35	-1.0	-52.94	314.15	4.94	-48.00
O=C(NC1=CC(F)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225009	0	35	-1.0	-43.07	296.53	4.45	-38.62
O=C(NC1=CC(F)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225009	1	35	-1.0	-43.09	296.59	4.47	-38.62
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300020225010	0	35	-1.0	-46.90	323.52	3.52	-43.38
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL300020225010	1	35	-1.0	-46.91	323.58	3.53	-43.38
O=C(NC1=CC(F)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020225011	0	38	-1.0	-48.00	304.01	5.35	-42.65
O=C(NC1=CC(F)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020225011	1	38	-1.0	-48.02	304.07	5.35	-42.67
CC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225012	0	40	-1.0	-51.90	344.48	5.21	-46.69
CC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225012	1	40	-1.0	-51.89	344.42	5.18	-46.71
CC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225013	0	40	-1.0	-46.20	324.69	4.66	-41.54
CC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225013	1	40	-1.0	-46.20	324.74	4.68	-41.52
CC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225014	0	37	-1.0	-71.73	311.29	3.88	-67.85
CC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225014	1	37	-1.0	-71.73	311.35	3.90	-67.83
CSCC[C@H](NC(=O)NC1=CC=CC(C(C)=O)=C1)C1=N[N-]N=N1	REAL300020225015	0	40	-1.0	-56.97	353.31	3.77	-53.20
CSCC[C@H](NC(=O)NC1=CC=CC(C(C)=O)=C1)C1=NN=N[N-]1	REAL300020225015	1	40	-1.0	-56.97	353.37	3.78	-53.19
CC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225016	0	37	-1.0	-55.15	311.14	3.87	-51.28
CC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225016	1	37	-1.0	-55.20	311.21	3.88	-51.32
CC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225017	0	43	-1.0	-51.47	333.44	5.59	-45.88
CC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225017	1	43	-1.0	-51.41	333.50	5.60	-45.81
CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020225018	0	33	-2.0	-86.38	306.10	2.34	-84.04
CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020225018	1	33	-2.0	-86.42	306.05	2.32	-84.10
CC1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020225018	1	34	-1.0	-40.33	309.36	3.54	-36.79
CC1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020225018	1	34	-1.0	-40.34	309.30	3.52	-36.82
CSCC[C@H](NC(=O)NC1=NC(C)=CS1)C1=N[N-]N=N1	REAL300020225019	0	34	-1.0	-43.30	318.28	2.11	-41.19
CSCC[C@H](NC(=O)NC1=NC(C)=CS1)C1=NN=N[N-]1	REAL300020225019	1	34	-1.0	-43.32	318.34	2.13	-41.19
CSCC[C@H](NC(=O)[N-]C1=NC(C)=CS1)C1=N[N-]N=N1	REAL300020225019	1	33	-2.0	-99.25	315.03	0.91	-98.34
CC1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020225020	0	37	-1.0	-45.15	298.55	3.93	-41.22
CC1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020225020	1	37	-1.0	-45.17	298.57	3.95	-41.22
CC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020225020	1	36	-2.0	-104.87	297.69	3.20	-101.67
CC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020225020	1	36	-2.0	-104.89	297.73	3.22	-101.67
NC(=O)CSC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225021	0	43	-1.0	-50.19	377.57	2.84	-47.35
NC(=O)CSC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225021	1	43	-1.0	-50.21	377.51	2.82	-47.39
NC(=O)CSC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225022	0	43	-1.0	-51.51	358.78	2.35	-49.16
NC(=O)CSC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225022	1	43	-1.0	-51.50	358.84	2.36	-49.14
NC(=O)CSC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225023	0	40	-1.0	-61.53	343.36	1.45	-60.08
NC(=O)CSC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225023	1	40	-1.0	-61.57	343.42	1.46	-60.11
CSCC[C@H](NC(=O)NC1=CC=CC=C1SCC(N)=O)C1=N[N-]N=N1	REAL300020225024	0	43	-1.0	-55.13	386.88	1.40	-53.73
CSCC[C@H](NC(=O)NC1=CC=CC=C1SCC(N)=O)C1=NN=N[N-]1	REAL300020225024	1	43	-1.0	-55.15	386.93	1.41	-53.74
NC(=O)CSC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225025	0	40	-1.0	-50.94	344.72	1.48	-49.46
NC(=O)CSC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225025	1	40	-1.0	-50.95	344.80	1.49	-49.46
NC(=O)CSC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225026	0	46	-1.0	-52.36	369.33	2.50	-49.86
NC(=O)CSC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225026	1	46	-1.0	-52.37	369.39	2.52	-49.85
NC(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225027	0	43	-1.0	-55.60	371.26	2.20	-53.40
NC(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225027	1	43	-1.0	-55.60	371.20	2.17	-53.43
NC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225028	0	43	-1.0	-50.48	350.70	1.72	-48.76
NC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225028	1	43	-1.0	-50.50	350.75	1.73	-48.77
NC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225029	0	40	-1.0	-68.00	336.57	0.79	-67.21
NC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225029	1	40	-1.0	-68.00	336.63	0.81	-67.19
CSCC[C@H](NC(=O)NC1=CC=C(OCC(N)=O)C=C1)C1=N[N-]N=N1	REAL300020225030	0	43	-1.0	-60.87	380.38	0.73	-60.14
CSCC[C@H](NC(=O)NC1=CC=C(OCC(N)=O)C=C1)C1=NN=N[N-]1	REAL300020225030	1	43	-1.0	-60.93	380.44	0.74	-60.19
NC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225031	0	40	-1.0	-50.53	338.27	0.82	-49.71
NC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225031	1	40	-1.0	-50.52	338.35	0.83	-49.69
NC(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225032	0	46	-1.0	-54.96	360.15	2.59	-52.37
NC(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225032	1	46	-1.0	-55.00	360.20	2.60	-52.40
NC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020225033	0	39	-1.0	-57.55	350.22	2.09	-55.46
NC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020225033	1	39	-1.0	-57.55	350.17	2.06	-55.49
NC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020225034	0	39	-1.0	-46.75	329.80	1.63	-45.12
NC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020225034	1	39	-1.0	-46.73	329.85	1.65	-45.08
NC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020225035	0	36	-1.0	-54.56	315.86	0.65	-53.91
NC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020225035	1	36	-1.0	-54.56	315.91	0.67	-53.89
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020225036	0	39	-1.0	-47.22	359.37	0.63	-46.59
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020225036	1	39	-1.0	-47.22	359.42	0.65	-46.57
NC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020225037	0	36	-1.0	-47.51	317.22	0.72	-46.79
NC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020225037	1	36	-1.0	-47.51	317.29	0.72	-46.79
NC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020225038	0	42	-1.0	-39.29	343.60	1.77	-37.52
NC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020225038	1	42	-1.0	-39.31	343.64	1.77	-37.54
NC(=O)CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225039	0	42	-1.0	-47.75	359.12	2.45	-45.30
NC(=O)CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225039	1	42	-1.0	-47.78	359.07	2.42	-45.36
NC(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225040	0	42	-1.0	-50.61	340.06	1.97	-48.64
NC(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225040	1	42	-1.0	-50.60	340.11	1.99	-48.61
NC(=O)CC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225041	0	39	-1.0	-63.60	324.74	1.05	-62.55
NC(=O)CC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225041	1	39	-1.0	-63.59	324.80	1.07	-62.52
CSCC[C@H](NC(=O)NC1=CC=CC=C1CC(N)=O)C1=N[N-]N=N1	REAL300020225042	0	42	-1.0	-50.51	368.29	1.02	-49.49
CSCC[C@H](NC(=O)NC1=CC=CC=C1CC(N)=O)C1=NN=N[N-]1	REAL300020225042	1	42	-1.0	-50.52	368.34	1.04	-49.48
NC(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225043	0	39	-1.0	-50.45	325.18	1.06	-49.39
NC(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225043	1	39	-1.0	-50.46	325.26	1.08	-49.38
NC(=O)CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225044	0	45	-1.0	-48.82	348.30	2.14	-46.68
NC(=O)CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225044	1	45	-1.0	-48.81	348.37	2.16	-46.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(C=C1Cl)OCCO2	REAL300020225045	0	41	-1.0	-54.33	361.28	4.57	-49.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(C=C1Cl)OCCO2	REAL300020225045	1	41	-1.0	-54.36	361.22	4.54	-49.82
O=C(NC1=CC2=C(C=C1Cl)OCCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225046	0	41	-1.0	-44.66	343.72	4.06	-40.60
O=C(NC1=CC2=C(C=C1Cl)OCCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225046	1	41	-1.0	-44.69	343.78	4.08	-40.61
O=C(NC1=CC2=C(C=C1Cl)OCCO2)N1CCCC1C1=N[N-]N=N1	REAL300020225047	0	38	-1.0	-54.10	327.11	3.15	-50.95
O=C(NC1=CC2=C(C=C1Cl)OCCO2)N1CCCC1C1=NN=N[N-]1	REAL300020225047	1	38	-1.0	-54.09	327.16	3.16	-50.93
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1Cl)OCCO2)C1=N[N-]N=N1	REAL300020225048	0	41	-1.0	-48.60	370.62	3.10	-45.50
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1Cl)OCCO2)C1=NN=N[N-]1	REAL300020225048	1	41	-1.0	-48.57	370.68	3.11	-45.46
O=C(NC1=CC2=C(C=C1Cl)OCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020225049	0	38	-1.0	-44.59	329.34	3.22	-41.37
O=C(NC1=CC2=C(C=C1Cl)OCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020225049	1	38	-1.0	-44.63	329.41	3.24	-41.39
O=C(NC1=CC2=C(C=C1Cl)OCCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020225050	0	44	-1.0	-50.65	351.22	4.95	-45.70
O=C(NC1=CC2=C(C=C1Cl)OCCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020225050	1	44	-1.0	-50.63	351.28	4.95	-45.68
CC1=CC=CC=C1N1N=C(C(C)(C)C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225051	0	54	-1.0	-55.43	426.33	8.98	-46.45
CC1=CC=CC=C1N1N=C(C(C)(C)C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225051	1	54	-1.0	-55.49	426.27	8.95	-46.54
CC1=CC=CC=C1N1N=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225052	0	54	-1.0	-44.54	427.81	9.02	-35.52
CC1=CC=CC=C1N1N=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225052	1	54	-1.0	-44.55	427.73	9.01	-35.54
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1OC(F)(F)F	REAL300020225053	0	39	-1.0	-39.88	347.22	4.70	-35.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1OC(F)(F)F	REAL300020225053	1	39	-1.0	-39.85	347.17	4.68	-35.17
O=C(NC1=CC=CC=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225054	0	39	-1.0	-41.35	328.43	4.22	-37.13
O=C(NC1=CC=CC=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225054	1	39	-1.0	-41.38	328.48	4.24	-37.14
O=C(NC1=CC=CC=C1OC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020225055	0	36	-1.0	-50.24	313.80	3.27	-46.97
O=C(NC1=CC=CC=C1OC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020225055	1	36	-1.0	-50.22	313.85	3.30	-46.92
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300020225056	0	39	-1.0	-43.79	356.52	3.26	-40.53
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300020225056	1	39	-1.0	-43.80	356.58	3.28	-40.52
O=C(NC1=CC=CC=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020225057	0	36	-1.0	-41.30	315.18	3.34	-37.96
O=C(NC1=CC=CC=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020225057	1	36	-1.0	-41.29	315.25	3.35	-37.94
O=C(NC1=CC=CC=C1OC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020225058	0	42	-1.0	-41.31	340.60	4.43	-36.88
O=C(NC1=CC=CC=C1OC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020225058	1	42	-1.0	-41.24	340.69	4.44	-36.80
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C)CC1	REAL300020225059	0	59	0.0	-68.92	437.70	7.43	-61.49
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C)CC1	REAL300020225059	1	59	0.0	-68.92	437.76	7.45	-61.47
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C)CC1	REAL300020225060	0	56	0.0	-73.28	422.41	6.50	-66.78
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C)CC1	REAL300020225060	1	56	0.0	-73.27	422.47	6.52	-66.75
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C)CC1	REAL300020225061	0	56	0.0	-70.82	423.79	6.56	-64.26
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C)CC1	REAL300020225061	1	56	0.0	-70.83	423.87	6.57	-64.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC(F)=C1	REAL300020225062	0	35	-1.0	-40.87	316.14	4.89	-35.98
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC(F)=C1	REAL300020225062	1	35	-1.0	-40.86	316.08	4.87	-35.99
O=C(NC1=CC(F)=CC(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225063	0	35	-1.0	-42.41	296.88	4.42	-37.99
O=C(NC1=CC(F)=CC(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225063	1	35	-1.0	-42.42	296.93	4.43	-37.99
CSCC[C@H](NC(=O)NC1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL300020225064	0	35	-1.0	-45.77	324.84	3.50	-42.27
CSCC[C@H](NC(=O)NC1=CC(F)=CC(F)=C1)C1=NN=N[N-]1	REAL300020225064	1	35	-1.0	-45.75	324.90	3.51	-42.24
O=C(NC1=CC(F)=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225065	0	38	-1.0	-46.44	304.99	5.31	-41.13
O=C(NC1=CC(F)=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225065	1	38	-1.0	-46.44	305.04	5.32	-41.12
O=C(NC1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225066	0	46	-1.0	-46.58	389.20	7.73	-38.85
O=C(NC1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225066	1	46	-1.0	-46.58	389.26	7.74	-38.84
O=C(NC1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225067	0	43	-1.0	-57.05	373.66	6.77	-50.28
O=C(NC1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225067	1	43	-1.0	-57.08	373.71	6.78	-50.30
O=C(NC1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225068	0	43	-1.0	-46.78	375.17	6.82	-39.96
O=C(NC1=CC=C(OC2=CC=CC=C2Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225068	1	43	-1.0	-46.80	375.24	6.83	-39.97
COC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225069	0	50	-1.0	-48.24	402.76	7.09	-41.15
COC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225069	1	50	-1.0	-48.26	402.81	7.10	-41.16
COC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225070	0	47	-1.0	-58.00	387.50	6.17	-51.83
COC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225070	1	47	-1.0	-58.02	387.56	6.18	-51.84
COC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225071	0	47	-1.0	-47.99	389.05	6.20	-41.79
COC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225071	1	47	-1.0	-48.01	389.13	6.22	-41.79
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(F)(F)F	REAL300020225072	0	41	-1.0	-58.82	357.55	6.32	-52.50
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(F)(F)F	REAL300020225072	1	41	-1.0	-58.80	357.49	6.29	-52.51
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(F)(F)F	REAL300020225073	0	41	-1.0	-42.31	338.56	5.78	-36.53
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(F)(F)F	REAL300020225073	1	41	-1.0	-42.29	338.62	5.80	-36.49
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020225074	0	38	-1.0	-60.29	323.00	4.90	-55.39
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020225074	1	38	-1.0	-60.29	323.05	4.91	-55.38
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020225075	0	41	-1.0	-44.12	366.70	4.85	-39.27
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020225075	1	41	-1.0	-44.10	366.76	4.86	-39.24
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020225076	0	38	-1.0	-47.22	324.52	4.94	-42.28
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020225076	1	38	-1.0	-47.23	324.60	4.96	-42.27
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020225077	0	44	-1.0	-40.44	350.94	5.97	-34.47
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020225077	1	44	-1.0	-39.46	350.98	5.99	-33.47
O=C(NC1=CC=C2OC3(CCCCC3)OC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225078	0	51	-1.0	-43.68	392.33	6.48	-37.20
O=C(NC1=CC=C2OC3(CCCCC3)OC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225078	1	51	-1.0	-43.68	392.38	6.50	-37.18
O=C(NC1=CC=C2OC3(CCCCC3)OC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225079	0	48	-1.0	-58.03	377.06	5.57	-52.46
O=C(NC1=CC=C2OC3(CCCCC3)OC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225079	1	48	-1.0	-58.02	377.12	5.58	-52.44
O=C(NC1=CC=C2OC3(CCCCC3)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225080	0	48	-1.0	-48.34	378.16	5.64	-42.70
O=C(NC1=CC=C2OC3(CCCCC3)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225080	1	48	-1.0	-48.29	378.23	5.66	-42.63
O=C(NC1=CC=C2OC3(CCCCC3)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225081	0	54	-1.0	-43.49	404.85	6.63	-36.86
O=C(NC1=CC=C2OC3(CCCCC3)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225081	1	54	-1.0	-43.49	404.93	6.66	-36.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C1=CC=CS1	REAL300020225082	0	42	-1.0	-44.12	370.89	7.93	-36.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C1=CC=CS1	REAL300020225082	1	42	-1.0	-44.07	370.83	7.91	-36.16
O=C(NC1=CC=CC=C1C1=CC=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225083	0	42	-1.0	-43.06	348.68	7.26	-35.80
O=C(NC1=CC=CC=C1C1=CC=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225083	1	42	-1.0	-43.05	348.74	7.27	-35.78
O=C(NC1=CC=CC=C1C1=CC=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020225084	0	39	-1.0	-54.79	335.20	6.43	-48.36
O=C(NC1=CC=CC=C1C1=CC=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020225084	1	39	-1.0	-54.76	335.26	6.44	-48.32
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300020225085	0	42	-1.0	-47.30	378.91	6.39	-40.91
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300020225085	1	42	-1.0	-47.32	378.97	6.40	-40.92
O=C(NC1=CC=CC=C1C1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225086	0	39	-1.0	-43.24	336.71	6.46	-36.78
O=C(NC1=CC=CC=C1C1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225086	1	39	-1.0	-43.22	336.78	6.48	-36.74
O=C(NC1=CC=CC=C1C1=CC=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225087	0	45	-1.0	-50.06	356.38	8.08	-41.98
O=C(NC1=CC=CC=C1C1=CC=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225087	1	45	-1.0	-50.12	356.42	8.09	-42.03
O=C(NC1=CC=C(C(=O)NC2CC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225088	0	46	-1.0	-46.22	390.79	4.84	-41.38
O=C(NC1=CC=C(C(=O)NC2CC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225088	1	46	-1.0	-46.20	390.73	4.81	-41.39
O=C(NC1CC1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225089	0	46	-1.0	-45.99	371.87	4.31	-41.68
O=C(NC1CC1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225089	1	46	-1.0	-45.98	371.93	4.33	-41.65
O=C(NC1CC1)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225090	0	43	-1.0	-63.37	356.41	3.40	-59.97
O=C(NC1CC1)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225090	1	43	-1.0	-63.33	356.47	3.41	-59.92
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)NC2CC2)C=C1)C1=N[N-]N=N1	REAL300020225091	0	46	-1.0	-56.27	400.24	3.33	-52.94
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=N[N-]1	REAL300020225091	1	46	-1.0	-56.28	400.30	3.35	-52.93
O=C(NC1CC1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225092	0	43	-1.0	-50.64	358.09	3.42	-47.22
O=C(NC1CC1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225092	1	43	-1.0	-50.65	358.17	3.43	-47.22
O=C(NC1CC1)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225093	0	49	-1.0	-50.19	380.02	5.21	-44.98
O=C(NC1CC1)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225093	1	49	-1.0	-50.21	380.06	5.21	-45.00
O=C(NC1=CC=CC(S(=O)(=O)NC2CC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225094	0	47	-1.0	-47.17	393.18	2.11	-45.06
O=C(NC1=CC=CC(S(=O)(=O)NC2CC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225094	1	47	-1.0	-47.19	393.24	2.12	-45.07
O=C(NC1=CC=CC(S(=O)(=O)NC2CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225095	0	44	-1.0	-67.99	377.50	1.24	-66.75
O=C(NC1=CC=CC(S(=O)(=O)NC2CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225095	1	44	-1.0	-67.94	377.55	1.26	-66.68
O=C(NC1=CC=CC(S(=O)(=O)NC2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225096	0	44	-1.0	-53.86	379.15	1.27	-52.59
O=C(NC1=CC=CC(S(=O)(=O)NC2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225096	1	44	-1.0	-53.83	379.22	1.28	-52.55
CS(=O)(=O)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225097	0	41	-1.0	-44.90	357.41	3.04	-41.86
CS(=O)(=O)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225097	1	41	-1.0	-44.92	357.35	3.02	-41.90
CS(=O)(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225098	0	41	-1.0	-47.50	338.40	2.50	-45.00
CS(=O)(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225098	1	41	-1.0	-47.51	338.45	2.52	-44.99
CS(=O)(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225099	0	38	-1.0	-51.68	322.05	1.55	-50.13
CS(=O)(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225099	1	38	-1.0	-51.67	322.11	1.58	-50.09
CSCC[C@H](NC(=O)NC1=CC=CC=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL300020225100	0	41	-1.0	-45.79	366.57	1.58	-44.21
CSCC[C@H](NC(=O)NC1=CC=CC=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL300020225100	1	41	-1.0	-45.74	366.63	1.60	-44.14
CS(=O)(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225101	0	38	-1.0	-45.93	323.36	1.63	-44.30
CS(=O)(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225101	1	38	-1.0	-45.92	323.44	1.64	-44.28
CS(=O)(=O)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225102	0	44	-1.0	-48.84	345.80	3.47	-45.37
CS(=O)(=O)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225102	1	44	-1.0	-48.89	345.85	3.47	-45.42
O=C(NC1=CC=C(C2=NC3=CC=CC=C3O2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225103	0	47	-1.0	-49.64	385.55	5.10	-44.54
O=C(NC1=CC=C(C2=NC3=CC=CC=C3O2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225103	1	47	-1.0	-49.59	385.49	5.08	-44.51
O=C(NC1=CC=C(C2=NC3=CC=CC=C3O2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225104	0	44	-1.0	-57.30	371.56	4.17	-53.13
O=C(NC1=CC=C(C2=NC3=CC=CC=C3O2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225104	1	44	-1.0	-57.30	371.50	4.15	-53.15
O=C(NC1=CC=C(C2=NC3=CC=CC=C3O2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225105	0	44	-1.0	-49.66	372.96	4.22	-45.44
O=C(NC1=CC=C(C2=NC3=CC=CC=C3O2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225105	1	44	-1.0	-49.67	372.89	4.20	-45.47
O=C(NC1=CC=C(N2CCCC2=O)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225106	0	46	-1.0	-47.80	384.58	6.48	-41.32
O=C(NC1=CC=C(N2CCCC2=O)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225106	1	46	-1.0	-47.76	384.64	6.50	-41.26
O=C(NC1=CC=C(N2CCCC2=O)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225107	0	43	-1.0	-58.85	370.66	5.52	-53.33
O=C(NC1=CC=C(N2CCCC2=O)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225107	1	43	-1.0	-58.82	370.71	5.54	-53.28
O=C(NC1=CC=C(N2CCCC2=O)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225108	0	43	-1.0	-50.96	372.03	5.58	-45.38
O=C(NC1=CC=C(N2CCCC2=O)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225108	1	43	-1.0	-50.96	372.10	5.58	-45.38
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N1CCCC1=O	REAL300020225109	0	50	-1.0	-51.73	399.17	5.07	-46.66
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N1CCCC1=O	REAL300020225109	1	50	-1.0	-51.74	399.23	5.08	-46.66
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N1CCCC1=O	REAL300020225110	0	47	-1.0	-62.04	383.62	4.17	-57.87
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N1CCCC1=O	REAL300020225110	1	47	-1.0	-62.09	383.68	4.19	-57.90
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1CCCC1=O	REAL300020225111	0	47	-1.0	-50.86	385.00	4.24	-46.62
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCCC1=O	REAL300020225111	1	47	-1.0	-50.86	385.07	4.24	-46.62
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1CCCC1=O	REAL300020225112	0	53	-1.0	-47.32	411.62	5.24	-42.08
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1CCCC1=O	REAL300020225112	1	53	-1.0	-47.30	411.66	5.25	-42.05
O=C(NC1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225113	0	47	-1.0	-54.11	380.92	2.78	-51.33
O=C(NC1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225113	1	47	-1.0	-54.16	380.97	2.80	-51.36
O=C(NC1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225114	0	44	-1.0	-62.84	365.41	1.87	-60.97
O=C(NC1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225114	1	44	-1.0	-62.84	365.47	1.88	-60.96
O=C(NC1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225115	0	44	-1.0	-53.80	366.79	1.92	-51.88
O=C(NC1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225115	1	44	-1.0	-53.79	366.86	1.93	-51.86
CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=C1	REAL300020225116	0	45	-1.0	-48.54	373.40	4.42	-44.12
CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=C1	REAL300020225116	1	45	-1.0	-48.56	373.46	4.43	-44.13
CC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL300020225117	0	42	-1.0	-59.74	358.79	3.60	-56.14
CC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL300020225117	1	42	-1.0	-59.74	358.85	3.63	-56.11
CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1	REAL300020225118	0	42	-1.0	-48.74	360.31	3.63	-45.11
CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020225118	1	42	-1.0	-48.79	360.38	3.64	-45.15
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1N1CCCC1=O	REAL300020225119	0	49	-1.0	-65.06	408.18	7.14	-57.92
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1N1CCCC1=O	REAL300020225119	1	49	-1.0	-65.06	408.13	7.11	-57.95
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N1CCCC1=O	REAL300020225120	0	49	-1.0	-50.69	387.86	6.73	-43.96
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N1CCCC1=O	REAL300020225120	1	49	-1.0	-50.79	387.92	6.74	-44.05
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N1CCCC1=O	REAL300020225121	0	46	-1.0	-63.98	373.37	5.78	-58.20
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N1CCCC1=O	REAL300020225121	1	46	-1.0	-63.93	373.43	5.80	-58.13
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2=O)C(C)=C1)C1=N[N-]N=N1	REAL300020225122	0	49	-1.0	-51.81	416.38	5.74	-46.07
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2=O)C(C)=C1)C1=NN=N[N-]1	REAL300020225122	1	49	-1.0	-51.80	416.44	5.75	-46.05
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1CCCC1=O	REAL300020225123	0	46	-1.0	-52.66	374.72	5.83	-46.83
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCCC1=O	REAL300020225123	1	46	-1.0	-52.63	374.80	5.84	-46.79
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1CCCC1=O	REAL300020225124	0	52	-1.0	-52.90	400.61	6.87	-46.03
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1CCCC1=O	REAL300020225124	1	52	-1.0	-52.89	400.66	6.88	-46.01
O=C(NC1=CC=C(NC(=O)C2CC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225125	0	46	-1.0	-51.48	390.33	5.24	-46.24
O=C(NC1=CC=C(NC(=O)C2CC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225125	1	46	-1.0	-51.48	390.28	5.22	-46.26
O=C(NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C1CC1	REAL300020225126	0	46	-1.0	-47.36	371.28	4.75	-42.61
O=C(NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C1CC1	REAL300020225126	1	46	-1.0	-47.34	371.34	4.77	-42.57
O=C(NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)C1CC1	REAL300020225127	0	43	-1.0	-65.03	354.80	3.87	-61.16
O=C(NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)C1CC1	REAL300020225127	1	43	-1.0	-65.03	354.86	3.88	-61.15
CSCC[C@H](NC(=O)NC1=CC=C(NC(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL300020225128	0	46	-1.0	-59.46	398.48	3.83	-55.63
CSCC[C@H](NC(=O)NC1=CC=C(NC(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL300020225128	1	46	-1.0	-59.46	398.54	3.84	-55.62
O=C(NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1CC1	REAL300020225129	0	43	-1.0	-53.83	356.31	3.91	-49.92
O=C(NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1CC1	REAL300020225129	1	43	-1.0	-53.86	356.38	3.93	-49.93
O=C(NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C1CC1	REAL300020225130	0	49	-1.0	-56.98	379.07	5.69	-51.29
O=C(NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C1CC1	REAL300020225130	1	49	-1.0	-57.01	379.11	5.69	-51.32
CCS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225131	0	44	-1.0	-63.09	385.40	3.16	-59.93
CCS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225131	1	44	-1.0	-63.13	385.45	3.18	-59.95
CCS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225132	0	44	-1.0	-50.57	366.41	2.70	-47.87
CCS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225132	1	44	-1.0	-50.60	366.46	2.71	-47.89
CCS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225133	0	41	-1.0	-61.24	350.89	1.79	-59.45
CCS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225133	1	41	-1.0	-61.26	350.95	1.81	-59.45
CCS(=O)(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020225134	0	44	-1.0	-54.85	394.41	1.75	-53.10
CCS(=O)(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020225134	1	44	-1.0	-54.82	394.47	1.77	-53.05
CCS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225135	0	41	-1.0	-51.33	352.00	1.88	-49.45
CCS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225135	1	41	-1.0	-51.35	352.08	1.88	-49.47
CCS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225136	0	47	-1.0	-51.74	374.19	3.62	-48.12
CCS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225136	1	47	-1.0	-51.78	374.24	3.63	-48.15
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1OCC(F)(F)F	REAL300020225137	0	42	-1.0	-44.06	372.09	5.58	-38.48
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1OCC(F)(F)F	REAL300020225137	1	42	-1.0	-44.07	372.15	5.60	-38.47
O=C(NC1=CC=CC=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225138	0	42	-1.0	-45.50	353.35	5.11	-40.39
O=C(NC1=CC=CC=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225138	1	42	-1.0	-45.48	353.41	5.13	-40.35
O=C(NC1=CC=CC=C1OCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020225139	0	39	-1.0	-55.79	338.72	4.18	-51.61
O=C(NC1=CC=CC=C1OCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020225139	1	39	-1.0	-55.78	338.78	4.21	-51.57
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC(F)(F)F)C1=N[N-]N=N1	REAL300020225140	0	42	-1.0	-48.97	381.44	4.16	-44.81
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC(F)(F)F)C1=NN=N[N-]1	REAL300020225140	1	42	-1.0	-48.98	381.50	4.18	-44.80
O=C(NC1=CC=CC=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020225141	0	39	-1.0	-45.17	339.29	4.26	-40.91
O=C(NC1=CC=CC=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020225141	1	39	-1.0	-45.16	339.36	4.26	-40.90
O=C(NC1=CC=CC=C1OCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020225142	0	45	-1.0	-46.75	368.07	5.29	-41.46
O=C(NC1=CC=CC=C1OCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020225142	1	45	-1.0	-46.74	368.12	5.30	-41.44
CC1=CC=CC(OC2=CC=C(Cl)C=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225143	0	46	-1.0	-53.72	393.60	7.49	-46.23
CC1=CC=CC(OC2=CC=C(Cl)C=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225143	1	46	-1.0	-53.71	393.66	7.51	-46.20
CC1=CC=CC(OC2=CC=C(Cl)C=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225144	0	46	-1.0	-42.59	397.19	7.56	-35.03
CC1=CC=CC(OC2=CC=C(Cl)C=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225144	1	46	-1.0	-42.59	397.27	7.58	-35.01
O=C(NC1=CC=C(N2C=NN=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225145	0	40	-1.0	-64.37	351.58	4.93	-59.44
O=C(NC1=CC=C(N2C=NN=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225145	1	40	-1.0	-64.37	351.52	4.91	-59.46
O=C(NC1=CC=C(N2C=NN=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225146	0	40	-1.0	-51.03	332.58	4.48	-46.55
O=C(NC1=CC=C(N2C=NN=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225146	1	40	-1.0	-51.09	332.52	4.47	-46.62
O=C(NC1=CC=C(N2C=NN=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225147	0	37	-1.0	-60.09	317.09	3.56	-56.53
O=C(NC1=CC=C(N2C=NN=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225147	1	37	-1.0	-60.06	317.03	3.54	-56.52
CSCC[C@H](NC(=O)NC1=CC=C(N2C=NN=N2)C=C1)C1=NN=N[N-]1	REAL300020225148	0	40	-1.0	-48.13	360.61	3.52	-44.61
CSCC[C@H](NC(=O)NC1=CC=C(N2C=NN=N2)C=C1)C1=N[N-]N=N1	REAL300020225148	1	40	-1.0	-48.11	360.56	3.50	-44.61
O=C(NC1=CC=C(N2C=NN=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225149	0	37	-1.0	-53.06	318.47	3.60	-49.46
O=C(NC1=CC=C(N2C=NN=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225149	1	37	-1.0	-53.04	318.40	3.60	-49.44
O=C(NC1=CC=C(N2C=NN=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225150	0	43	-1.0	-47.48	337.95	5.43	-42.05
O=C(NC1=CC=C(N2C=NN=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225150	1	43	-1.0	-47.50	337.90	5.42	-42.08
CC1=CC(Br)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225151	0	38	-1.0	-43.33	342.90	6.34	-36.99
CC1=CC(Br)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225151	1	38	-1.0	-43.32	342.84	6.32	-37.00
CC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225152	0	38	-1.0	-42.01	323.87	5.82	-36.19
CC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225152	1	38	-1.0	-42.09	323.92	5.83	-36.26
CC1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225153	0	35	-1.0	-53.34	307.44	4.87	-48.47
CC1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225153	1	35	-1.0	-53.35	307.50	4.90	-48.45
CSCC[C@H](NC(=O)NC1=CC=C(Br)C=C1C)C1=N[N-]N=N1	REAL300020225154	0	38	-1.0	-44.65	352.10	4.86	-39.79
CSCC[C@H](NC(=O)NC1=CC=C(Br)C=C1C)C1=NN=N[N-]1	REAL300020225154	1	38	-1.0	-44.66	352.15	4.88	-39.78
CC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225155	0	35	-1.0	-42.56	308.96	4.92	-37.64
CC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225155	1	35	-1.0	-42.58	309.03	4.93	-37.65
CC1=CC(Br)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225156	0	41	-1.0	-48.38	331.39	6.75	-41.63
CC1=CC(Br)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225156	1	41	-1.0	-48.39	331.44	6.75	-41.64
CC(=O)N1CCC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020225157	0	46	-1.0	-49.45	381.72	5.86	-43.59
CC(=O)N1CCC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020225157	1	46	-1.0	-49.46	381.66	5.84	-43.62
CC(=O)N1CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020225158	0	46	-1.0	-55.86	363.25	5.32	-50.54
CC(=O)N1CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020225158	1	46	-1.0	-55.90	363.31	5.34	-50.56
CC(=O)N1CCC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020225159	0	43	-1.0	-58.87	347.27	4.42	-54.45
CC(=O)N1CCC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020225159	1	43	-1.0	-58.90	347.33	4.44	-54.46
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CCN2C(C)=O)C1=N[N-]N=N1	REAL300020225160	0	46	-1.0	-52.24	388.69	4.25	-47.99
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CCN2C(C)=O)C1=NN=N[N-]1	REAL300020225160	1	46	-1.0	-52.27	388.75	4.27	-48.00
CC(=O)N1CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020225161	0	43	-1.0	-48.83	346.55	4.34	-44.49
CC(=O)N1CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020225161	1	43	-1.0	-48.78	346.62	4.35	-44.43
CC(=O)N1CCC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020225162	0	49	-1.0	-52.62	373.19	5.42	-47.20
CC(=O)N1CCC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020225162	1	49	-1.0	-52.58	373.24	5.42	-47.16
CCCCNS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225163	0	49	-1.0	-57.19	409.44	1.93	-55.26
CCCCNS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225163	1	49	-1.0	-57.22	409.50	1.95	-55.27
CCCCNS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225164	0	49	-1.0	-47.76	410.49	2.00	-45.76
CCCCNS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225164	1	49	-1.0	-47.78	410.56	2.02	-45.76
CC1=CC=C(S(C)(=O)=O)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225165	0	44	-1.0	-70.36	382.31	3.19	-67.17
CC1=CC=C(S(C)(=O)=O)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225165	1	44	-1.0	-70.34	382.25	3.16	-67.18
CC1=CC=C(S(C)(=O)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225166	0	44	-1.0	-51.05	361.15	2.64	-48.41
CC1=CC=C(S(C)(=O)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225166	1	44	-1.0	-51.09	361.20	2.65	-48.44
CC1=CC=C(S(C)(=O)=O)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225167	0	41	-1.0	-68.94	347.94	1.81	-67.13
CC1=CC=C(S(C)(=O)=O)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225167	1	41	-1.0	-68.92	348.00	1.82	-67.10
CSCC[C@H](NC(=O)NC1=CC(S(C)(=O)=O)=CC=C1C)C1=N[N-]N=N1	REAL300020225168	0	44	-1.0	-59.74	391.49	1.77	-57.97
CSCC[C@H](NC(=O)NC1=CC(S(C)(=O)=O)=CC=C1C)C1=NN=N[N-]1	REAL300020225168	1	44	-1.0	-59.74	391.54	1.79	-57.95
CC1=CC=C(S(C)(=O)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225169	0	41	-1.0	-53.07	348.35	1.80	-51.27
CC1=CC=C(S(C)(=O)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225169	1	41	-1.0	-53.12	348.42	1.82	-51.30
CC1=CC=C(S(C)(=O)=O)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225170	0	47	-1.0	-53.62	369.92	3.52	-50.10
CC1=CC=C(S(C)(=O)=O)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225170	1	47	-1.0	-53.65	369.97	3.52	-50.13
O=C(NC1=CC=CC=C1SCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225171	0	49	-1.0	-44.43	402.67	9.31	-35.12
O=C(NC1=CC=CC=C1SCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225171	1	49	-1.0	-44.42	402.73	9.33	-35.09
O=C(NC1=CC=CC=C1SCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225172	0	46	-1.0	-55.21	388.12	8.42	-46.79
O=C(NC1=CC=CC=C1SCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225172	1	46	-1.0	-55.21	388.17	8.44	-46.77
O=C(NC1=CC=CC=C1SCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225173	0	46	-1.0	-44.34	389.51	8.47	-35.87
O=C(NC1=CC=CC=C1SCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225173	1	46	-1.0	-44.34	389.59	8.48	-35.86
N#CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225174	0	39	-1.0	-57.55	345.56	5.93	-51.62
N#CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225174	1	39	-1.0	-57.56	345.50	5.90	-51.66
N#CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225175	0	39	-1.0	-49.56	326.51	5.45	-44.11
N#CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225175	1	39	-1.0	-49.56	326.57	5.47	-44.09
CSCC[C@H](NC(=O)NC1=CC=C(CC#N)C=C1)C1=N[N-]N=N1	REAL300020225176	0	39	-1.0	-53.97	354.56	4.49	-49.48
CSCC[C@H](NC(=O)NC1=CC=C(CC#N)C=C1)C1=NN=N[N-]1	REAL300020225176	1	39	-1.0	-53.91	354.62	4.51	-49.40
N#CCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225177	0	42	-1.0	-56.68	334.29	6.37	-50.31
N#CCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225177	1	42	-1.0	-56.72	334.34	6.38	-50.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2SCCS2)=C1	REAL300020225178	0	44	-1.0	-45.29	390.13	7.73	-37.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2SCCS2)=C1	REAL300020225178	1	44	-1.0	-45.33	390.19	7.75	-37.58
O=C(NC1=CC=CC(C2SCCS2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225179	0	44	-1.0	-46.07	370.95	7.28	-38.79
O=C(NC1=CC=CC(C2SCCS2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225179	1	44	-1.0	-46.15	371.01	7.30	-38.85
O=C(NC1=CC=CC(C2SCCS2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225180	0	41	-1.0	-55.68	355.39	6.38	-49.30
O=C(NC1=CC=CC(C2SCCS2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225180	1	41	-1.0	-55.68	355.45	6.39	-49.29
CSCC[C@H](NC(=O)NC1=CC=CC(C2SCCS2)=C1)C1=N[N-]N=N1	REAL300020225181	0	44	-1.0	-50.30	399.18	6.32	-43.98
CSCC[C@H](NC(=O)NC1=CC=CC(C2SCCS2)=C1)C1=NN=N[N-]1	REAL300020225181	1	44	-1.0	-50.30	399.24	6.34	-43.96
O=C(NC1=CC=CC(C2SCCS2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225182	0	41	-1.0	-48.09	357.01	6.42	-41.67
O=C(NC1=CC=CC(C2SCCS2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225182	1	41	-1.0	-48.07	357.08	6.42	-41.65
O=C(NC1=CC=CC(C2SCCS2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225183	0	47	-1.0	-44.96	383.49	7.45	-37.51
O=C(NC1=CC=CC(C2SCCS2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225183	1	47	-1.0	-44.95	383.54	7.45	-37.50
CCOC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C([N+](=O)[O-])C=C1OCC	REAL300020225184	0	48	-1.0	-51.19	394.91	5.41	-45.78
CCOC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C([N+](=O)[O-])C=C1OCC	REAL300020225184	1	48	-1.0	-51.23	394.97	5.43	-45.80
CCOC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C([N+](=O)[O-])C=C1OCC	REAL300020225185	0	48	-1.0	-40.42	394.90	5.43	-34.99
CCOC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C([N+](=O)[O-])C=C1OCC	REAL300020225185	1	48	-1.0	-40.41	394.97	5.44	-34.97
CON(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225186	0	47	-1.0	-49.37	391.39	2.26	-47.11
CON(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225186	1	47	-1.0	-49.38	391.45	2.27	-47.11
CON(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225187	0	44	-1.0	-58.31	376.87	1.56	-56.75
CON(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225187	1	44	-1.0	-58.38	376.93	1.58	-56.80
CON(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225188	0	44	-1.0	-49.98	377.00	1.43	-48.55
CON(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225188	1	44	-1.0	-49.95	377.08	1.43	-48.52
COC1=CC=C(NC(C)=O)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225189	0	46	-1.0	-52.74	387.72	3.07	-49.67
COC1=CC=C(NC(C)=O)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225189	1	46	-1.0	-52.72	387.66	3.05	-49.67
COC1=CC=C(NC(C)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225190	0	46	-1.0	-46.74	369.13	2.59	-44.15
COC1=CC=C(NC(C)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225190	1	46	-1.0	-46.77	369.19	2.60	-44.17
COC1=CC=C(NC(C)=O)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225191	0	43	-1.0	-57.58	352.55	1.69	-55.89
COC1=CC=C(NC(C)=O)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225191	1	43	-1.0	-57.57	352.60	1.71	-55.86
COC1=CC=C(NC(C)=O)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020225192	0	46	-1.0	-49.58	397.79	1.59	-47.99
COC1=CC=C(NC(C)=O)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020225192	1	46	-1.0	-49.61	397.84	1.61	-48.00
COC1=CC=C(NC(C)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225193	0	43	-1.0	-45.73	353.67	1.79	-43.94
COC1=CC=C(NC(C)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225193	1	43	-1.0	-45.77	353.74	1.80	-43.97
COC1=CC=C(NC(C)=O)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225194	0	49	-1.0	-51.41	382.43	2.72	-48.69
COC1=CC=C(NC(C)=O)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225194	1	49	-1.0	-51.46	382.47	2.72	-48.74
CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225195	0	42	-1.0	-51.54	359.19	3.12	-48.42
CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225195	1	42	-1.0	-51.52	359.13	3.10	-48.42
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225196	0	42	-1.0	-46.63	340.26	2.60	-44.03
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225196	1	42	-1.0	-46.68	340.32	2.61	-44.07
CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225197	0	39	-1.0	-54.38	324.81	1.68	-52.70
CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225197	1	39	-1.0	-54.40	324.87	1.69	-52.71
CNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020225198	0	42	-1.0	-57.06	368.66	1.62	-55.44
CNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020225198	1	42	-1.0	-57.08	368.72	1.63	-55.45
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225199	0	39	-1.0	-46.31	326.49	1.70	-44.61
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225199	1	39	-1.0	-46.37	326.56	1.72	-44.65
CNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225200	0	45	-1.0	-50.69	348.42	3.50	-47.19
CNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225200	1	45	-1.0	-50.72	348.47	3.50	-47.22
CC(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225201	0	49	-1.0	-48.48	399.11	1.87	-46.61
CC(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225201	1	49	-1.0	-48.52	399.16	1.89	-46.63
CC(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225202	0	46	-1.0	-58.37	385.62	1.03	-57.34
CC(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225202	1	46	-1.0	-58.37	385.68	1.05	-57.32
CC(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225203	0	46	-1.0	-49.22	386.70	1.12	-48.10
CC(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225203	1	46	-1.0	-49.23	386.77	1.12	-48.11
CCNC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225204	0	45	-1.0	-71.26	381.27	3.88	-67.38
CCNC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225204	1	45	-1.0	-71.25	381.21	3.85	-67.40
CCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225205	0	45	-1.0	-47.80	360.82	3.44	-44.36
CCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225205	1	45	-1.0	-47.83	360.88	3.46	-44.37
CCNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225206	0	42	-1.0	-74.09	346.46	2.52	-71.57
CCNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225206	1	42	-1.0	-74.06	346.52	2.53	-71.53
CCNC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020225207	0	45	-1.0	-58.70	389.99	2.48	-56.22
CCNC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020225207	1	45	-1.0	-58.74	390.04	2.49	-56.25
CCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225208	0	42	-1.0	-56.97	347.82	2.57	-54.40
CCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225208	1	42	-1.0	-56.98	347.89	2.58	-54.40
CCNC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225209	0	48	-1.0	-52.40	370.11	4.30	-48.10
CCNC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225209	1	48	-1.0	-52.36	370.17	4.31	-48.05
CNC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225210	0	42	-1.0	-71.41	359.78	3.03	-68.38
CNC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225210	1	42	-1.0	-71.39	359.73	3.01	-68.38
CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225211	0	42	-1.0	-48.44	339.35	2.61	-45.83
CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225211	1	42	-1.0	-48.47	339.40	2.62	-45.85
CNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225212	0	39	-1.0	-74.30	324.97	1.68	-72.62
CNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225212	1	39	-1.0	-74.31	325.03	1.70	-72.61
CNC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020225213	0	42	-1.0	-59.18	368.50	1.63	-57.55
CNC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020225213	1	42	-1.0	-59.19	368.56	1.65	-57.54
CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225214	0	39	-1.0	-57.50	326.33	1.74	-55.76
CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225214	1	39	-1.0	-57.52	326.40	1.74	-55.78
CNC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225215	0	45	-1.0	-52.92	348.62	3.45	-49.47
CNC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225215	1	45	-1.0	-52.97	348.68	3.47	-49.50
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2OCC(=O)NC2=C1	REAL300020225216	0	41	-1.0	-58.58	354.09	1.98	-56.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2OCC(=O)NC2=C1	REAL300020225216	1	41	-1.0	-58.63	354.04	1.95	-56.68
O=C(NC1=CC=C2OCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225217	0	41	-1.0	-45.47	334.96	1.48	-43.99
O=C(NC1=CC=C2OCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225217	1	41	-1.0	-45.47	335.01	1.49	-43.98
O=C(NC1=CC=C2OCC(=O)NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225218	0	38	-1.0	-59.02	319.25	0.61	-58.41
O=C(NC1=CC=C2OCC(=O)NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225218	1	38	-1.0	-59.00	319.31	0.63	-58.37
CSCC[C@H](NC(=O)NC1=CC=C2OCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020225219	0	41	-1.0	-49.63	362.79	0.58	-49.05
CSCC[C@H](NC(=O)NC1=CC=C2OCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020225219	1	41	-1.0	-49.66	362.85	0.60	-49.06
O=C(NC1=CC=C2OCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225220	0	38	-1.0	-48.01	320.66	0.67	-47.34
O=C(NC1=CC=C2OCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225220	1	38	-1.0	-47.99	320.74	0.67	-47.32
O=C(NC1=CC=C2OCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225221	0	44	-1.0	-40.01	347.32	1.69	-38.32
O=C(NC1=CC=C2OCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225221	1	44	-1.0	-39.99	347.40	1.69	-38.30
CNS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C	REAL300020225222	0	46	-1.0	-49.55	375.30	1.33	-48.22
CNS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C	REAL300020225222	1	46	-1.0	-49.54	375.35	1.34	-48.20
CNS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020225223	0	43	-1.0	-66.50	360.95	0.36	-66.14
CNS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020225223	1	43	-1.0	-66.48	361.01	0.37	-66.11
CNS(=O)(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1C	REAL300020225224	0	46	-1.0	-58.41	404.25	0.34	-58.07
CNS(=O)(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1C	REAL300020225224	1	46	-1.0	-58.42	404.31	0.36	-58.06
CNS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020225225	0	43	-1.0	-53.57	360.91	0.51	-53.06
CNS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020225225	1	43	-1.0	-53.55	360.98	0.53	-53.02
CNS(=O)(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020225226	0	49	-1.0	-45.78	388.74	1.53	-44.25
CNS(=O)(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020225226	1	49	-1.0	-45.78	388.78	1.53	-44.25
CC(C)(C)NS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225227	0	49	-1.0	-57.33	393.27	1.37	-55.96
CC(C)(C)NS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225227	1	49	-1.0	-57.31	393.33	1.39	-55.92
CC(C)(C)NS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225228	0	49	-1.0	-45.95	393.61	1.37	-44.58
CC(C)(C)NS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225228	1	49	-1.0	-45.93	393.69	1.39	-44.54
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2CCCC2=O)=C1	REAL300020225229	0	46	-1.0	-57.49	380.97	5.92	-51.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2CCCC2=O)=C1	REAL300020225229	1	46	-1.0	-57.48	380.91	5.89	-51.59
O=C(NC1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225230	0	46	-1.0	-51.09	361.56	5.44	-45.65
O=C(NC1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225230	1	46	-1.0	-51.07	361.62	5.45	-45.62
O=C(NC1=CC(N2CCCC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225231	0	43	-1.0	-60.48	346.58	4.49	-55.99
O=C(NC1=CC(N2CCCC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225231	1	43	-1.0	-60.52	346.64	4.51	-56.01
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL300020225232	0	46	-1.0	-53.56	390.25	4.43	-49.13
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL300020225232	1	46	-1.0	-53.58	390.31	4.45	-49.13
O=C(NC1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225233	0	43	-1.0	-50.21	347.64	4.56	-45.65
O=C(NC1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225233	1	43	-1.0	-50.15	347.71	4.58	-45.57
O=C(NC1=CC(N2CCCC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225234	0	49	-1.0	-56.86	376.18	5.45	-51.41
O=C(NC1=CC(N2CCCC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225234	1	49	-1.0	-56.86	376.23	5.48	-51.38
COC(=O)CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225235	0	48	-1.0	-47.18	393.84	3.55	-43.63
COC(=O)CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225235	1	48	-1.0	-47.19	393.90	3.56	-43.63
COC(=O)CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225236	0	45	-1.0	-57.07	379.63	2.63	-54.44
COC(=O)CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225236	1	45	-1.0	-57.04	379.69	2.65	-54.39
COC(=O)CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225237	0	45	-1.0	-47.24	381.30	2.66	-44.58
COC(=O)CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225237	1	45	-1.0	-47.27	381.38	2.68	-44.59
O=C(NC1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225238	0	49	-1.0	-45.69	391.03	8.68	-37.01
O=C(NC1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225238	1	49	-1.0	-45.71	391.09	8.69	-37.02
O=C(NC1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225239	0	46	-1.0	-55.84	375.64	7.77	-48.07
O=C(NC1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225239	1	46	-1.0	-55.82	375.70	7.80	-48.02
CSCC[C@H](NC(=O)NC1=CC(C2CC2)=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020225240	0	49	-1.0	-48.33	419.23	7.74	-40.59
CSCC[C@H](NC(=O)NC1=CC(C2CC2)=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020225240	1	49	-1.0	-48.32	419.28	7.75	-40.57
O=C(NC1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225241	0	46	-1.0	-45.32	377.12	7.83	-37.49
O=C(NC1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225241	1	46	-1.0	-45.32	377.19	7.85	-37.47
O=C(NC1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225242	0	52	-1.0	-54.01	399.07	9.56	-44.45
O=C(NC1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225242	1	52	-1.0	-54.00	399.12	9.57	-44.43
O=C(NC1=CC=CC=C1)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225243	0	48	-1.0	-55.73	395.35	4.61	-51.12
O=C(NC1=CC=CC=C1)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225243	1	48	-1.0	-55.75	395.41	4.62	-51.13
O=C(NC1=CC=CC=C1)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225244	0	48	-1.0	-47.84	396.58	4.69	-43.15
O=C(NC1=CC=CC=C1)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225244	1	48	-1.0	-47.87	396.65	4.70	-43.17
O=C(NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C1=CC=CO1	REAL300020225245	0	46	-1.0	-52.71	380.37	4.30	-48.41
O=C(NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C1=CC=CO1	REAL300020225245	1	46	-1.0	-52.68	380.43	4.31	-48.37
O=C(NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)C1=CC=CO1	REAL300020225246	0	43	-1.0	-61.37	364.88	3.39	-57.98
O=C(NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)C1=CC=CO1	REAL300020225246	1	43	-1.0	-61.37	364.94	3.41	-57.96
O=C(NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CO1	REAL300020225247	0	43	-1.0	-47.39	366.81	3.43	-43.96
O=C(NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CO1	REAL300020225247	1	43	-1.0	-47.41	366.89	3.43	-43.98
O=C(NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C1=CC=CO1	REAL300020225248	0	49	-1.0	-55.37	388.17	5.23	-50.14
O=C(NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C1=CC=CO1	REAL300020225248	1	49	-1.0	-55.40	388.21	5.23	-50.17
COC(=O)C1=CC=C(N2CCCC2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225249	0	53	-1.0	-50.56	410.34	5.95	-44.61
COC(=O)C1=CC=C(N2CCCC2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225249	1	53	-1.0	-50.59	410.39	5.96	-44.63
COC(=O)C1=CC=C(N2CCCC2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225250	0	50	-1.0	-67.27	393.55	4.99	-62.28
COC(=O)C1=CC=C(N2CCCC2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225250	1	50	-1.0	-67.28	393.61	5.00	-62.28
COC(=O)C1=CC=C(N2CCCC2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225251	0	50	-1.0	-51.49	395.08	5.02	-46.47
COC(=O)C1=CC=C(N2CCCC2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225251	1	50	-1.0	-51.48	395.16	5.04	-46.44
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1)C1=CC=CS1	REAL300020225252	0	46	-1.0	-46.79	388.22	5.30	-41.49
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1)C1=CC=CS1	REAL300020225252	1	46	-1.0	-46.82	388.28	5.31	-41.51
O=C(NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1)C1=CC=CS1	REAL300020225253	0	43	-1.0	-57.22	372.63	4.38	-52.84
O=C(NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1)C1=CC=CS1	REAL300020225253	1	43	-1.0	-57.24	372.69	4.41	-52.83
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)C1=CC=CS1	REAL300020225254	0	43	-1.0	-46.76	374.11	4.45	-42.31
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C1=CC=CS1	REAL300020225254	1	43	-1.0	-46.75	374.18	4.47	-42.28
C#CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225255	0	37	-1.0	-45.28	330.60	5.95	-39.33
C#CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225255	1	37	-1.0	-45.28	330.55	5.92	-39.36
C#CC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020225256	0	37	-1.0	-49.85	339.29	4.55	-45.30
C#CC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020225256	1	37	-1.0	-49.86	339.35	4.56	-45.30
C#CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225257	0	40	-1.0	-49.28	319.43	6.37	-42.91
C#CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225257	1	40	-1.0	-49.35	319.48	6.38	-42.97
COC(=O)CCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225258	0	48	-1.0	-57.98	401.76	3.29	-54.69
COC(=O)CCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225258	1	48	-1.0	-57.96	401.82	3.30	-54.66
COC(=O)CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225259	0	48	-1.0	-50.71	403.43	3.32	-47.39
COC(=O)CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225259	1	48	-1.0	-50.75	403.51	3.33	-47.42
CN(C)C(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225260	0	45	-1.0	-55.36	375.37	4.69	-50.67
CN(C)C(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225260	1	45	-1.0	-55.36	375.32	4.66	-50.70
CN(C)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225261	0	45	-1.0	-59.06	353.54	3.96	-55.10
CN(C)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225261	1	45	-1.0	-59.04	353.60	3.97	-55.07
CN(C)C(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225262	0	42	-1.0	-75.16	340.20	3.24	-71.92
CN(C)C(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225262	1	42	-1.0	-75.12	340.26	3.26	-71.86
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020225263	0	45	-1.0	-47.09	384.59	3.24	-43.85
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020225263	1	45	-1.0	-47.12	384.65	3.26	-43.86
CN(C)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225264	0	42	-1.0	-59.32	339.83	3.23	-56.09
CN(C)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225264	1	42	-1.0	-59.35	339.90	3.24	-56.11
CN(C)C(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225265	0	48	-1.0	-54.72	364.19	5.02	-49.70
CN(C)C(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225265	1	48	-1.0	-54.71	364.24	5.03	-49.68
O=C(NC1=CC=CC(C#CC2=CC=CC=C2)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225266	0	47	-1.0	-63.08	412.46	9.94	-53.14
O=C(NC1=CC=CC(C#CC2=CC=CC=C2)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225266	1	47	-1.0	-63.12	412.40	9.92	-53.20
O=C(NC1=CC=CC(C#CC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225267	0	47	-1.0	-44.89	392.01	9.51	-35.38
O=C(NC1=CC=CC(C#CC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225267	1	47	-1.0	-44.90	392.07	9.53	-35.37
O=C(NC1=CC=CC(C#CC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225268	0	44	-1.0	-63.92	377.65	8.58	-55.34
O=C(NC1=CC=CC(C#CC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225268	1	44	-1.0	-63.91	377.70	8.59	-55.32
CSCC[C@H](NC(=O)NC1=CC=CC(C#CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020225269	0	47	-1.0	-52.39	421.20	8.54	-43.85
CSCC[C@H](NC(=O)NC1=CC=CC(C#CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020225269	1	47	-1.0	-52.38	421.26	8.55	-43.83
O=C(NC1=CC=CC(C#CC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225270	0	44	-1.0	-50.64	379.29	8.60	-42.04
O=C(NC1=CC=CC(C#CC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225270	1	44	-1.0	-50.67	379.37	8.62	-42.05
O=C(NC1=CC=CC(C#CC2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225271	0	50	-1.0	-45.02	407.65	9.66	-35.36
O=C(NC1=CC=CC(C#CC2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225271	1	50	-1.0	-44.98	407.70	9.68	-35.30
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225272	0	57	0.0	-69.58	425.70	7.46	-62.12
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225272	1	57	0.0	-69.59	425.76	7.47	-62.12
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225273	0	54	0.0	-81.24	411.10	6.53	-74.71
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225273	1	54	0.0	-81.21	411.15	6.56	-74.65
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225274	0	54	0.0	-69.87	411.63	6.61	-63.26
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225274	1	54	0.0	-69.86	411.71	6.62	-63.24
O=C(NC1=CC=CC(C#CC2=CC=CS2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225275	0	44	-1.0	-44.80	383.52	8.53	-36.27
O=C(NC1=CC=CC(C#CC2=CC=CS2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225275	1	44	-1.0	-44.81	383.57	8.54	-36.27
O=C(NC1=CC=CC(C#CC2=CC=CS2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225276	0	41	-1.0	-63.24	367.78	7.66	-55.58
O=C(NC1=CC=CC(C#CC2=CC=CS2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225276	1	41	-1.0	-63.27	367.84	7.68	-55.59
CSCC[C@H](NC(=O)NC1=CC=CC(C#CC2=CC=CS2)=C1)C1=N[N-]N=N1	REAL300020225277	0	44	-1.0	-56.58	411.58	7.59	-48.99
CSCC[C@H](NC(=O)NC1=CC=CC(C#CC2=CC=CS2)=C1)C1=NN=N[N-]1	REAL300020225277	1	44	-1.0	-56.55	411.64	7.61	-48.94
O=C(NC1=CC=CC(C#CC2=CC=CS2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225278	0	41	-1.0	-49.87	369.43	7.69	-42.18
O=C(NC1=CC=CC(C#CC2=CC=CS2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225278	1	41	-1.0	-49.88	369.50	7.70	-42.18
O=C(NC1=CC=CC(C#CC2=CC=CS2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225279	0	47	-1.0	-50.44	391.65	9.47	-40.97
O=C(NC1=CC=CC(C#CC2=CC=CS2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225279	1	47	-1.0	-50.28	391.71	9.48	-40.80
O=C(NC1=CC(Cl)=CC=C1OCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020225280	0	39	-1.0	-55.43	354.67	4.70	-50.73
O=C(NC1=CC(Cl)=CC=C1OCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020225280	1	39	-1.0	-55.44	354.73	4.73	-50.71
O=C(NC1=CC(Cl)=CC=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020225281	0	39	-1.0	-46.32	356.82	4.75	-41.57
O=C(NC1=CC(Cl)=CC=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020225281	1	39	-1.0	-46.35	356.90	4.76	-41.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1N1CCCCCC1	REAL300020225282	0	53	-1.0	-40.66	406.25	6.82	-33.84
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1N1CCCCCC1	REAL300020225282	1	53	-1.0	-40.65	406.20	6.80	-33.85
O=C(NC1=CC=CC=C1N1CCCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225283	0	53	-1.0	-41.95	385.93	6.44	-35.51
O=C(NC1=CC=CC=C1N1CCCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225283	1	53	-1.0	-41.94	385.98	6.46	-35.48
O=C(NC1=CC=CC=C1N1CCCCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020225284	0	50	-1.0	-52.84	371.01	5.49	-47.35
O=C(NC1=CC=CC=C1N1CCCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020225284	1	50	-1.0	-52.84	371.07	5.51	-47.33
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CCCCCC1)C1=N[N-]N=N1	REAL300020225285	0	53	-1.0	-45.74	415.06	5.43	-40.31
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CCCCCC1)C1=NN=N[N-]1	REAL300020225285	1	53	-1.0	-45.73	415.11	5.45	-40.28
O=C(NC1=CC=CC=C1N1CCCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225286	0	50	-1.0	-42.17	372.92	5.52	-36.65
O=C(NC1=CC=CC=C1N1CCCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225286	1	50	-1.0	-42.21	372.99	5.54	-36.67
O=C(NC1=CC=CC=C1N1CCCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225287	0	56	-1.0	-48.59	394.83	7.29	-41.30
O=C(NC1=CC=CC=C1N1CCCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225287	1	56	-1.0	-48.64	394.89	7.31	-41.33
O=C(NC1=CC=C(N2C=CC=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225288	0	42	-1.0	-62.20	361.66	5.96	-56.24
O=C(NC1=CC=C(N2C=CC=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225288	1	42	-1.0	-62.21	361.60	5.93	-56.28
O=C(NC1=CC=C(N2C=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225289	0	42	-1.0	-46.01	341.24	5.53	-40.48
O=C(NC1=CC=C(N2C=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225289	1	42	-1.0	-46.02	341.18	5.51	-40.51
O=C(NC1=CC=C(N2C=CC=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225290	0	39	-1.0	-54.17	327.16	4.58	-49.59
O=C(NC1=CC=C(N2C=CC=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225290	1	39	-1.0	-54.15	327.10	4.57	-49.58
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020225291	0	42	-1.0	-48.68	370.69	4.54	-44.14
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020225291	1	42	-1.0	-48.63	370.64	4.53	-44.10
O=C(NC1=CC=C(N2C=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225292	0	39	-1.0	-49.95	328.57	4.62	-45.33
O=C(NC1=CC=C(N2C=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225292	1	39	-1.0	-49.98	328.50	4.61	-45.37
O=C(NC1=CC=C(N2C=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225293	0	45	-1.0	-50.13	348.02	6.46	-43.67
O=C(NC1=CC=C(N2C=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225293	1	45	-1.0	-50.09	347.99	6.43	-43.66
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225294	0	49	-1.0	-50.11	399.41	5.77	-44.34
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225294	1	49	-1.0	-50.08	399.46	5.80	-44.28
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225295	0	49	-1.0	-50.08	379.76	5.32	-44.76
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225295	1	49	-1.0	-50.09	379.82	5.33	-44.76
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225296	0	46	-1.0	-66.32	364.11	4.37	-61.95
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225296	1	46	-1.0	-66.33	364.17	4.39	-61.94
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)N2CCCC2)C=C1)C1=N[N-]N=N1	REAL300020225297	0	49	-1.0	-57.58	407.73	4.36	-53.22
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)N2CCCC2)C=C1)C1=NN=N[N-]1	REAL300020225297	1	49	-1.0	-57.53	407.79	4.38	-53.15
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225298	0	46	-1.0	-52.75	365.80	4.46	-48.29
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225298	1	46	-1.0	-52.75	365.87	4.46	-48.29
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225299	0	52	-1.0	-58.96	387.71	6.26	-52.70
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225299	1	52	-1.0	-59.00	387.76	6.27	-52.73
CC(=O)NC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020225300	0	42	-1.0	-53.72	364.84	3.79	-49.93
CC(=O)NC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020225300	1	42	-1.0	-53.73	364.78	3.76	-49.97
CC(=O)NC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020225301	0	42	-1.0	-46.00	344.81	3.27	-42.73
CC(=O)NC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020225301	1	42	-1.0	-46.01	344.87	3.28	-42.73
CC(=O)NC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020225302	0	39	-1.0	-54.03	330.58	2.36	-51.67
CC(=O)NC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020225302	1	39	-1.0	-54.05	330.64	2.37	-51.68
CSCC[C@H](NC(=O)NC1=CC=C(F)C(NC(C)=O)=C1)C1=N[N-]N=N1	REAL300020225303	0	42	-1.0	-48.71	373.74	2.36	-46.35
CSCC[C@H](NC(=O)NC1=CC=C(F)C(NC(C)=O)=C1)C1=NN=N[N-]1	REAL300020225303	1	42	-1.0	-48.76	373.80	2.37	-46.39
CC(=O)NC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020225304	0	39	-1.0	-45.27	331.94	2.42	-42.85
CC(=O)NC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020225304	1	39	-1.0	-45.26	332.02	2.43	-42.83
CC(=O)NC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020225305	0	45	-1.0	-46.18	356.88	3.66	-42.52
CC(=O)NC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020225305	1	45	-1.0	-46.25	356.92	3.66	-42.59
CC(C)(C)NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225306	0	51	-1.0	-50.50	414.42	5.25	-45.25
CC(C)(C)NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225306	1	51	-1.0	-50.53	414.48	5.28	-45.25
CC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225307	0	51	-1.0	-45.65	395.56	4.75	-40.90
CC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225307	1	51	-1.0	-45.63	395.62	4.77	-40.86
CC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225308	0	48	-1.0	-53.75	380.11	3.84	-49.91
CC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225308	1	48	-1.0	-53.75	380.17	3.85	-49.90
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)NC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020225309	0	51	-1.0	-56.10	423.97	3.77	-52.33
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)NC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020225309	1	51	-1.0	-56.11	424.02	3.78	-52.33
CC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225310	0	48	-1.0	-45.35	381.78	3.86	-41.49
CC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225310	1	48	-1.0	-45.35	381.86	3.88	-41.47
CC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225311	0	54	-1.0	-50.03	403.71	5.65	-44.38
CC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225311	1	54	-1.0	-50.03	403.77	5.65	-44.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(OC(F)(F)F)=C1	REAL300020225312	0	39	-1.0	-56.74	349.30	4.55	-52.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(OC(F)(F)F)=C1	REAL300020225312	1	39	-1.0	-56.70	349.24	4.52	-52.18
O=C(NC1=CC=CC(OC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225313	0	39	-1.0	-46.02	330.18	4.09	-41.93
O=C(NC1=CC=CC(OC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225313	1	39	-1.0	-46.03	330.24	4.10	-41.93
O=C(NC1=CC=CC(OC(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225314	0	36	-1.0	-57.51	314.49	3.19	-54.32
O=C(NC1=CC=CC(OC(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225314	1	36	-1.0	-57.51	314.55	3.20	-54.31
CSCC[C@H](NC(=O)NC1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020225315	0	39	-1.0	-43.66	358.02	3.16	-40.50
CSCC[C@H](NC(=O)NC1=CC=CC(OC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020225315	1	39	-1.0	-43.70	358.08	3.17	-40.53
O=C(NC1=CC=CC(OC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225316	0	36	-1.0	-45.87	316.13	3.21	-42.66
O=C(NC1=CC=CC(OC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225316	1	36	-1.0	-45.84	316.21	3.23	-42.61
O=C(NC1=CC=CC(OC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225317	0	42	-1.0	-39.01	344.52	4.27	-34.74
O=C(NC1=CC=CC(OC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225317	1	42	-1.0	-39.03	344.57	4.29	-34.74
CC(C)CC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225318	0	51	-1.0	-56.87	418.14	5.79	-51.08
CC(C)CC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225318	1	51	-1.0	-56.92	418.20	5.81	-51.11
CC(C)CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225319	0	51	-1.0	-47.09	398.99	5.34	-41.75
CC(C)CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225319	1	51	-1.0	-47.09	399.04	5.35	-41.74
CC(C)CC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225320	0	48	-1.0	-57.13	383.46	4.45	-52.68
CC(C)CC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225320	1	48	-1.0	-57.15	383.52	4.46	-52.69
CSCC[C@H](NC(=O)NC1=CC=C(NC(=O)CC(C)C)C=C1)C1=N[N-]N=N1	REAL300020225321	0	51	-1.0	-49.70	426.66	4.43	-45.27
CSCC[C@H](NC(=O)NC1=CC=C(NC(=O)CC(C)C)C=C1)C1=NN=N[N-]1	REAL300020225321	1	51	-1.0	-49.72	426.72	4.44	-45.28
CC(C)CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225322	0	48	-1.0	-53.96	384.86	4.49	-49.47
CC(C)CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225322	1	48	-1.0	-53.96	384.93	4.50	-49.46
CC(C)CC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225323	0	54	-1.0	-56.58	406.77	6.26	-50.32
CC(C)CC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225323	1	54	-1.0	-56.57	406.82	6.26	-50.31
O=C(NC1=CC=CC=C1C(=O)N1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225324	0	50	-1.0	-50.39	390.33	4.10	-46.29
O=C(NC1=CC=CC=C1C(=O)N1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225324	1	50	-1.0	-50.36	390.38	4.11	-46.25
O=C(NC1=CC=CC=C1C(=O)N1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020225325	0	47	-1.0	-60.27	373.15	3.16	-57.11
O=C(NC1=CC=CC=C1C(=O)N1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020225325	1	47	-1.0	-60.29	373.21	3.17	-57.12
O=C(NC1=CC=CC=C1C(=O)N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225326	0	47	-1.0	-45.75	373.59	3.22	-42.53
O=C(NC1=CC=CC=C1C(=O)N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225326	1	47	-1.0	-45.78	373.66	3.23	-42.55
O=C(NC1=CC=CC=C1C(=O)N1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225327	0	53	-1.0	-48.98	396.85	4.48	-44.50
O=C(NC1=CC=CC=C1C(=O)N1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225327	1	53	-1.0	-48.94	396.87	4.49	-44.45
CN1CCN(C(=O)C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020225328	0	54	-1.0	-50.04	415.40	4.02	-46.02
CN1CCN(C(=O)C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020225328	1	54	-1.0	-50.03	415.46	4.03	-46.00
CN1CCN(C(=O)C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300020225329	0	51	-1.0	-60.03	398.29	3.08	-56.95
CN1CCN(C(=O)C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300020225329	1	51	-1.0	-59.98	398.35	3.09	-56.89
CN1CCN(C(=O)C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020225330	0	51	-1.0	-47.87	399.73	3.09	-44.78
CN1CCN(C(=O)C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020225330	1	51	-1.0	-47.84	399.80	3.10	-44.74
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1NC(C)=O	REAL300020225331	0	46	-1.0	-55.43	387.75	3.09	-52.34
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1NC(C)=O	REAL300020225331	1	46	-1.0	-55.41	387.69	3.07	-52.34
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1NC(C)=O	REAL300020225332	0	46	-1.0	-48.19	367.99	2.57	-45.62
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1NC(C)=O	REAL300020225332	1	46	-1.0	-48.18	368.05	2.58	-45.60
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1NC(C)=O	REAL300020225333	0	43	-1.0	-56.96	353.46	1.66	-55.30
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1NC(C)=O	REAL300020225333	1	43	-1.0	-56.96	353.51	1.68	-55.28
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1NC(C)=O	REAL300020225334	0	46	-1.0	-50.89	396.65	1.66	-49.23
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1NC(C)=O	REAL300020225334	1	46	-1.0	-50.93	396.71	1.67	-49.26
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1NC(C)=O	REAL300020225335	0	43	-1.0	-48.59	354.06	1.76	-46.83
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1NC(C)=O	REAL300020225335	1	43	-1.0	-48.55	354.13	1.76	-46.79
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1NC(C)=O	REAL300020225336	0	49	-1.0	-49.33	377.38	2.89	-46.44
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1NC(C)=O	REAL300020225336	1	49	-1.0	-49.42	377.44	2.90	-46.52
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Br	REAL300020225337	0	38	-1.0	-50.90	342.77	5.95	-44.95
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Br	REAL300020225337	1	38	-1.0	-50.91	342.72	5.92	-44.99
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020225338	0	38	-1.0	-41.71	323.52	5.47	-36.24
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020225338	1	38	-1.0	-41.72	323.58	5.49	-36.23
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020225339	0	35	-1.0	-51.36	307.97	4.59	-46.77
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020225339	1	35	-1.0	-51.34	308.03	4.60	-46.74
CSCC[C@H](NC(=O)NC1=CC=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL300020225340	0	38	-1.0	-47.27	351.48	4.56	-42.71
CSCC[C@H](NC(=O)NC1=CC=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL300020225340	1	38	-1.0	-47.30	351.54	4.57	-42.73
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020225341	0	35	-1.0	-45.76	309.59	4.61	-41.15
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020225341	1	35	-1.0	-45.80	309.67	4.62	-41.18
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020225342	0	41	-1.0	-40.42	338.02	5.66	-34.76
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020225342	1	41	-1.0	-40.42	338.07	5.68	-34.74
CC(C)(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225343	0	54	-1.0	-55.16	430.94	8.47	-46.69
CC(C)(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225343	1	54	-1.0	-55.19	430.88	8.46	-46.73
CC(C)(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225344	0	54	-1.0	-44.97	432.45	8.51	-36.46
CC(C)(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225344	1	54	-1.0	-44.93	432.38	8.50	-36.43
O=C(NC1=CC=CC=C1SCC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225345	0	42	-1.0	-44.71	361.69	6.71	-38.00
O=C(NC1=CC=CC=C1SCC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225345	1	42	-1.0	-44.73	361.75	6.72	-38.01
O=C(NC1=CC=CC=C1SCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020225346	0	39	-1.0	-54.79	347.13	5.80	-48.99
O=C(NC1=CC=CC=C1SCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020225346	1	39	-1.0	-54.79	347.18	5.83	-48.96
O=C(NC1=CC=CC=C1SCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020225347	0	39	-1.0	-44.27	347.63	5.85	-38.42
O=C(NC1=CC=CC=C1SCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020225347	1	39	-1.0	-44.24	347.70	5.86	-38.38
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(OC)C=C1Cl	REAL300020225348	0	43	-1.0	-50.91	376.18	4.05	-46.86
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(OC)C=C1Cl	REAL300020225348	1	43	-1.0	-50.92	376.12	4.03	-46.89
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(OC)C=C1Cl	REAL300020225349	0	43	-1.0	-42.96	358.54	3.53	-39.43
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(OC)C=C1Cl	REAL300020225349	1	43	-1.0	-42.96	358.59	3.55	-39.41
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(OC)C=C1Cl	REAL300020225350	0	40	-1.0	-51.72	341.99	2.65	-49.07
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(OC)C=C1Cl	REAL300020225350	1	40	-1.0	-51.75	342.05	2.67	-49.08
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(OC)C=C1Cl	REAL300020225351	0	43	-1.0	-45.39	385.52	2.62	-42.77
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(OC)C=C1Cl	REAL300020225351	1	43	-1.0	-45.39	385.57	2.63	-42.76
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(OC)C=C1Cl	REAL300020225352	0	40	-1.0	-42.49	343.34	2.71	-39.78
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(OC)C=C1Cl	REAL300020225352	1	40	-1.0	-42.54	343.41	2.72	-39.82
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(OC)C=C1Cl	REAL300020225353	0	46	-1.0	-48.73	365.98	4.43	-44.30
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(OC)C=C1Cl	REAL300020225353	1	46	-1.0	-48.80	366.04	4.43	-44.37
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(Cl)=C1F	REAL300020225354	0	35	-1.0	-39.79	323.97	5.39	-34.40
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(Cl)=C1F	REAL300020225354	1	35	-1.0	-39.77	323.91	5.36	-34.41
O=C(NC1=CC=CC(Cl)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225355	0	35	-1.0	-40.80	305.88	4.90	-35.90
O=C(NC1=CC=CC(Cl)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225355	1	35	-1.0	-40.79	305.94	4.91	-35.88
O=C(NC1=CC=CC(Cl)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020225356	0	32	-1.0	-48.93	289.78	4.00	-44.93
O=C(NC1=CC=CC(Cl)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020225356	1	32	-1.0	-48.90	289.84	4.00	-44.90
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300020225357	0	35	-1.0	-42.70	334.11	3.97	-38.73
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300020225357	1	35	-1.0	-42.72	334.16	3.98	-38.74
O=C(NC1=CC=CC(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020225358	0	32	-1.0	-40.84	291.96	4.04	-36.80
O=C(NC1=CC=CC(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020225358	1	32	-1.0	-40.85	292.03	4.06	-36.79
O=C(NC1=CC=CC(Cl)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020225359	0	38	-1.0	-45.41	313.76	5.78	-39.63
O=C(NC1=CC=CC(Cl)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020225359	1	38	-1.0	-45.43	313.82	5.79	-39.64
CC(C)N1N=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225360	0	41	-1.0	-42.59	345.32	5.07	-37.52
CC(C)N1N=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225360	1	41	-1.0	-42.57	345.26	5.05	-37.52
CC(C)N1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225361	0	41	-1.0	-44.42	326.12	4.60	-39.82
CC(C)N1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225361	1	41	-1.0	-44.38	326.06	4.58	-39.80
CSCC[C@H](NC(=O)NC1=CC=NN1C(C)C)C1=NN=N[N-]1	REAL300020225362	0	41	-1.0	-46.96	354.29	3.65	-43.31
CSCC[C@H](NC(=O)NC1=CC=NN1C(C)C)C1=N[N-]N=N1	REAL300020225362	1	41	-1.0	-46.96	354.24	3.63	-43.33
CC(C)N1N=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225363	0	44	-1.0	-50.54	334.15	5.48	-45.06
CC(C)N1N=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225363	1	44	-1.0	-50.52	334.10	5.47	-45.05
CCCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225364	0	45	-1.0	-41.78	374.08	5.94	-35.84
CCCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225364	1	45	-1.0	-41.75	374.02	5.91	-35.84
CCCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225365	0	45	-1.0	-43.71	355.28	5.45	-38.26
CCCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225365	1	45	-1.0	-43.75	355.34	5.46	-38.29
CCCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225366	0	42	-1.0	-53.71	339.85	4.54	-49.17
CCCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225366	1	42	-1.0	-53.72	339.91	4.55	-49.17
CCCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020225367	0	45	-1.0	-47.43	383.38	4.49	-42.94
CCCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020225367	1	45	-1.0	-47.49	383.44	4.50	-42.99
CCCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225368	0	42	-1.0	-43.43	341.21	4.59	-38.84
CCCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225368	1	42	-1.0	-43.41	341.28	4.61	-38.80
CCCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225369	0	48	-1.0	-44.00	367.53	5.68	-38.32
CCCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225369	1	48	-1.0	-44.01	367.58	5.68	-38.33
O=C(NC1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225370	0	41	-1.0	-48.35	357.77	2.23	-46.12
O=C(NC1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225370	1	41	-1.0	-48.32	357.83	2.25	-46.07
O=C(NC1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225371	0	38	-1.0	-58.05	342.61	1.31	-56.74
O=C(NC1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225371	1	38	-1.0	-58.06	342.67	1.32	-56.74
O=C(NC1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225372	0	38	-1.0	-49.20	343.73	1.38	-47.82
O=C(NC1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225372	1	38	-1.0	-49.18	343.81	1.38	-47.80
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1N1C=NN=N1	REAL300020225373	0	43	-1.0	-54.09	363.86	5.92	-48.17
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1N1C=NN=N1	REAL300020225373	1	43	-1.0	-54.09	363.80	5.90	-48.19
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1N1C=NN=N1	REAL300020225374	0	43	-1.0	-46.83	348.70	5.64	-41.19
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1N1C=NN=N1	REAL300020225374	1	43	-1.0	-46.80	348.64	5.63	-41.17
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1N1C=NN=N1	REAL300020225375	0	40	-1.0	-53.36	335.57	4.77	-48.59
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1N1C=NN=N1	REAL300020225375	1	40	-1.0	-53.43	335.51	4.75	-48.68
CSCC[C@H](NC(=O)NC1=CC=CC(N2C=NN=N2)=C1C)C1=NN=N[N-]1	REAL300020225376	0	43	-1.0	-49.52	371.58	4.45	-45.07
CSCC[C@H](NC(=O)NC1=CC=CC(N2C=NN=N2)=C1C)C1=N[N-]N=N1	REAL300020225376	1	43	-1.0	-49.52	371.52	4.44	-45.08
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1N1C=NN=N1	REAL300020225377	0	40	-1.0	-47.29	329.61	4.55	-42.74
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1N1C=NN=N1	REAL300020225377	1	40	-1.0	-47.28	329.53	4.54	-42.74
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1N1C=NN=N1	REAL300020225378	0	46	-1.0	-51.81	352.46	6.25	-45.56
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1N1C=NN=N1	REAL300020225378	1	46	-1.0	-51.79	352.40	6.24	-45.55
CCN(CC)C(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225379	0	51	-1.0	-52.46	410.18	6.34	-46.12
CCN(CC)C(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225379	1	51	-1.0	-52.41	410.24	6.37	-46.04
CCN(CC)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225380	0	51	-1.0	-47.75	398.40	6.09	-41.66
CCN(CC)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225380	1	51	-1.0	-47.73	398.46	6.10	-41.63
CCN(CC)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225381	0	48	-1.0	-60.41	380.29	5.07	-55.34
CCN(CC)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225381	1	48	-1.0	-60.38	380.35	5.09	-55.29
CCN(CC)C(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020225382	0	51	-1.0	-56.15	423.82	5.03	-51.12
CCN(CC)C(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020225382	1	51	-1.0	-56.14	423.88	5.05	-51.09
CCN(CC)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225383	0	48	-1.0	-50.94	380.75	5.17	-45.77
CCN(CC)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225383	1	48	-1.0	-50.98	380.82	5.19	-45.79
CCN(CC)C(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225384	0	54	-1.0	-48.78	397.40	6.58	-42.20
CCN(CC)C(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225384	1	54	-1.0	-48.81	397.46	6.60	-42.21
O=C(NC1=CC2=C(C=C1Br)OCCO2)N1CCCC1C1=N[N-]N=N1	REAL300020225385	0	38	-1.0	-54.04	331.22	3.28	-50.76
O=C(NC1=CC2=C(C=C1Br)OCCO2)N1CCCC1C1=NN=N[N-]1	REAL300020225385	1	38	-1.0	-54.01	331.28	3.29	-50.72
O=C(NC1=CC2=C(C=C1Br)OCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020225386	0	38	-1.0	-44.50	333.48	3.35	-41.15
O=C(NC1=CC2=C(C=C1Br)OCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020225386	1	38	-1.0	-44.50	333.55	3.37	-41.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1N1CCCC1	REAL300020225387	0	47	-1.0	-41.36	374.29	5.80	-35.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1N1CCCC1	REAL300020225387	1	47	-1.0	-41.41	374.24	5.78	-35.63
O=C(NC1=CC=CC=C1N1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225388	0	47	-1.0	-43.46	355.49	5.33	-38.13
O=C(NC1=CC=CC=C1N1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225388	1	47	-1.0	-43.50	355.54	5.34	-38.16
O=C(NC1=CC=CC=C1N1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020225389	0	44	-1.0	-54.67	340.11	4.41	-50.26
O=C(NC1=CC=CC=C1N1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020225389	1	44	-1.0	-54.69	340.17	4.42	-50.27
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CCCC1)C1=N[N-]N=N1	REAL300020225390	0	47	-1.0	-46.23	383.68	4.37	-41.86
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CCCC1)C1=NN=N[N-]1	REAL300020225390	1	47	-1.0	-46.22	383.74	4.39	-41.83
O=C(NC1=CC=CC=C1N1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225391	0	44	-1.0	-43.36	340.56	4.37	-38.99
O=C(NC1=CC=CC=C1N1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225391	1	44	-1.0	-43.40	340.63	4.38	-39.02
O=C(NC1=CC=CC=C1N1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225392	0	50	-1.0	-44.74	373.44	5.31	-39.43
O=C(NC1=CC=CC=C1N1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225392	1	50	-1.0	-44.71	373.48	5.31	-39.40
CN(C)C(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225393	0	45	-1.0	-50.15	375.13	4.71	-45.44
CN(C)C(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225393	1	45	-1.0	-50.12	375.07	4.68	-45.44
CN(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225394	0	45	-1.0	-48.81	358.06	4.19	-44.62
CN(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225394	1	45	-1.0	-48.85	358.12	4.21	-44.64
CN(C)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225395	0	42	-1.0	-61.02	338.80	3.23	-57.79
CN(C)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225395	1	42	-1.0	-60.97	338.86	3.25	-57.72
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL300020225396	0	45	-1.0	-57.17	382.35	3.19	-53.98
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL300020225396	1	45	-1.0	-57.15	382.40	3.20	-53.95
CN(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225397	0	42	-1.0	-46.88	340.73	3.27	-43.61
CN(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225397	1	42	-1.0	-46.88	340.80	3.27	-43.61
CN(C)C(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225398	0	48	-1.0	-51.06	361.65	4.73	-46.33
CN(C)C(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225398	1	48	-1.0	-51.02	361.68	4.74	-46.28
O=C(NC1=CC=CC=C1C(=O)N1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225399	0	52	-1.0	-47.10	399.66	6.50	-40.60
O=C(NC1=CC=CC=C1C(=O)N1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225399	1	52	-1.0	-47.06	399.72	6.51	-40.55
O=C(NC1=CC=CC=C1C(=O)N1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020225400	0	49	-1.0	-57.20	382.78	5.59	-51.61
O=C(NC1=CC=CC=C1C(=O)N1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020225400	1	49	-1.0	-57.16	382.84	5.61	-51.55
O=C(NC1=CC=CC=C1C(=O)N1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225401	0	49	-1.0	-47.68	385.63	5.54	-42.14
O=C(NC1=CC=CC=C1C(=O)N1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225401	1	49	-1.0	-47.66	385.71	5.55	-42.11
O=C(NC1=CC=CC=C1C(=O)N1CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225402	0	55	-1.0	-51.08	407.48	7.51	-43.57
O=C(NC1=CC=CC=C1C(=O)N1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225402	1	55	-1.0	-51.05	407.53	7.52	-43.53
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225403	0	56	0.0	-70.47	412.52	6.18	-64.29
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225403	1	56	0.0	-70.45	412.57	6.20	-64.25
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225404	0	53	0.0	-77.82	398.26	5.30	-72.52
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225404	1	53	0.0	-77.86	398.32	5.33	-72.53
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225405	0	53	0.0	-69.86	399.79	5.36	-64.50
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225405	1	53	0.0	-69.88	399.87	5.37	-64.51
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225406	0	59	0.0	-68.84	422.23	7.20	-61.64
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225406	1	59	0.0	-68.85	422.29	7.20	-61.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2OCCCOC2=C1	REAL300020225407	0	44	-1.0	-58.15	366.19	4.69	-53.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2OCCCOC2=C1	REAL300020225407	1	44	-1.0	-58.17	366.13	4.66	-53.51
O=C(NC1=CC=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225408	0	44	-1.0	-45.72	347.11	4.20	-41.52
O=C(NC1=CC=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225408	1	44	-1.0	-45.78	347.17	4.21	-41.57
O=C(NC1=CC=C2OCCCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225409	0	41	-1.0	-60.53	331.38	3.33	-57.20
O=C(NC1=CC=C2OCCCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225409	1	41	-1.0	-60.52	331.43	3.34	-57.18
CSCC[C@H](NC(=O)NC1=CC=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL300020225410	0	44	-1.0	-53.60	375.18	3.26	-50.34
CSCC[C@H](NC(=O)NC1=CC=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL300020225410	1	44	-1.0	-53.60	375.24	3.27	-50.33
O=C(NC1=CC=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225411	0	41	-1.0	-47.68	332.72	3.37	-44.31
O=C(NC1=CC=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225411	1	41	-1.0	-47.68	332.80	3.39	-44.29
O=C(NC1=CC=C2OCCCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225412	0	47	-1.0	-41.93	359.45	4.39	-37.54
O=C(NC1=CC=C2OCCCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225412	1	47	-1.0	-41.93	359.46	4.40	-37.53
CC1=CC(N2CCCC2)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225413	0	50	-1.0	-42.02	395.17	6.04	-35.98
CC1=CC(N2CCCC2)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225413	1	50	-1.0	-42.07	395.12	6.02	-36.05
CC1=CC(N2CCCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225414	0	50	-1.0	-44.50	377.08	5.55	-38.95
CC1=CC(N2CCCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225414	1	50	-1.0	-44.53	377.14	5.57	-38.96
CC1=CC(N2CCCC2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225415	0	47	-1.0	-56.20	360.08	4.63	-51.57
CC1=CC(N2CCCC2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225415	1	47	-1.0	-56.20	360.13	4.65	-51.55
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2)C=C1C)C1=N[N-]N=N1	REAL300020225416	0	50	-1.0	-46.91	403.63	4.60	-42.31
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2)C=C1C)C1=NN=N[N-]1	REAL300020225416	1	50	-1.0	-46.93	403.69	4.61	-42.32
CC1=CC(N2CCCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225417	0	47	-1.0	-43.75	365.58	4.78	-38.97
CC1=CC(N2CCCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225417	1	47	-1.0	-43.76	365.66	4.80	-38.96
CC1=CC(N2CCCC2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225418	0	53	-1.0	-44.34	389.70	5.53	-38.81
CC1=CC(N2CCCC2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225418	1	53	-1.0	-44.35	389.75	5.55	-38.80
O=C(NC1=NC(CN2CCOCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225419	0	47	-1.0	-42.44	378.29	1.48	-40.96
O=C(NC1=NC(CN2CCOCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225419	1	47	-1.0	-42.45	378.35	1.50	-40.95
O=C([N-]C1=NC(CN2CCOCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225419	1	46	-2.0	-89.33	377.30	0.65	-88.68
O=C(NC1=NC(CN2CCOCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020225420	0	44	-1.0	-49.29	362.87	0.57	-48.72
O=C(NC1=NC(CN2CCOCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020225420	1	44	-1.0	-49.31	362.93	0.59	-48.72
O=C([N-]C1=NC(CN2CCOCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020225420	1	43	-2.0	-109.57	361.48	-0.48	-110.05
O=C([N-]C1=NC(CN2CCOCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020225420	1	43	-2.0	-109.61	361.54	-0.45	-110.06
CSCC[C@H](NC(=O)NC1=NC(CN2CCOCC2)=CS1)C1=N[N-]N=N1	REAL300020225421	0	47	-1.0	-44.22	406.50	0.54	-43.68
CSCC[C@H](NC(=O)NC1=NC(CN2CCOCC2)=CS1)C1=NN=N[N-]1	REAL300020225421	1	47	-1.0	-44.21	406.55	0.56	-43.65
CSCC[C@H](NC(=O)[N-]C1=NC(CN2CCOCC2)=CS1)C1=N[N-]N=N1	REAL300020225421	1	46	-2.0	-100.63	403.25	-0.66	-101.29
O=C(NC1=NC(CN2CCOCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225422	0	44	-1.0	-41.33	364.35	0.62	-40.71
O=C(NC1=NC(CN2CCOCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225422	1	44	-1.0	-41.36	364.42	0.63	-40.73
O=C([N-]C1=NC(CN2CCOCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225422	1	43	-2.0	-89.58	362.22	-0.43	-90.01
O=C(NC1=NC(CN2CCOCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225423	0	50	-1.0	-46.05	386.58	2.35	-43.70
O=C(NC1=NC(CN2CCOCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225423	1	50	-1.0	-46.10	386.63	2.36	-43.74
O=C([N-]C1=NC(CN2CCOCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225423	1	49	-2.0	-93.97	389.49	1.33	-92.64
O=C([N-]C1=NC(CN2CCOCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225423	1	49	-2.0	-93.89	389.55	1.34	-92.55
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C(C)=C2)CC1	REAL300020225424	0	59	0.0	-68.15	430.84	6.91	-61.24
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C(C)=C2)CC1	REAL300020225424	1	59	0.0	-68.13	430.90	6.92	-61.21
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C(C)=C2)CC1	REAL300020225425	0	56	0.0	-76.58	416.17	5.98	-70.60
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C(C)=C2)CC1	REAL300020225425	1	56	0.0	-76.58	416.23	6.00	-70.58
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C(C)=C2)CC1	REAL300020225426	0	56	0.0	-68.42	417.03	6.00	-62.42
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C(C)=C2)CC1	REAL300020225426	1	56	0.0	-68.42	417.11	6.01	-62.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=CC=C1F	REAL300020225427	0	35	-1.0	-51.40	325.49	5.40	-46.00
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=CC=C1F	REAL300020225427	1	35	-1.0	-51.39	325.43	5.38	-46.01
O=C(NC1=CC(Cl)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225428	0	35	-1.0	-42.31	306.86	4.90	-37.41
O=C(NC1=CC(Cl)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225428	1	35	-1.0	-42.28	306.91	4.92	-37.36
O=C(NC1=CC(Cl)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020225429	0	32	-1.0	-51.11	290.34	4.00	-47.11
O=C(NC1=CC(Cl)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020225429	1	32	-1.0	-51.09	290.40	4.02	-47.07
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1F)C1=N[N-]N=N1	REAL300020225430	0	35	-1.0	-45.70	333.84	3.96	-41.74
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1F)C1=NN=N[N-]1	REAL300020225430	1	35	-1.0	-45.68	333.90	3.97	-41.71
O=C(NC1=CC(Cl)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020225431	0	32	-1.0	-42.19	292.50	4.05	-38.14
O=C(NC1=CC(Cl)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020225431	1	32	-1.0	-42.20	292.57	4.06	-38.14
O=C(NC1=CC(Cl)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020225432	0	38	-1.0	-47.00	314.33	5.79	-41.21
O=C(NC1=CC(Cl)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020225432	1	38	-1.0	-46.98	314.39	5.79	-41.19
CC(C)N(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225433	0	49	-1.0	-58.12	401.87	2.79	-55.33
CC(C)N(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225433	1	49	-1.0	-58.09	401.93	2.81	-55.28
CC(C)N(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225434	0	49	-1.0	-48.86	403.82	2.83	-46.03
CC(C)N(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225434	1	49	-1.0	-48.87	403.90	2.83	-46.04
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=CC=CN=C21	REAL300020225435	0	40	-1.0	-44.65	342.57	5.36	-39.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=CC=CN=C21	REAL300020225435	1	40	-1.0	-44.66	342.51	5.33	-39.33
O=C(NC1=CC=CC2=CC=CN=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225436	0	40	-1.0	-45.95	323.03	4.91	-41.04
O=C(NC1=CC=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225436	1	40	-1.0	-45.93	322.98	4.89	-41.04
O=C(NC1=CC=CC2=CC=CN=C21)N1CCCC1C1=NN=N[N-]1	REAL300020225437	0	37	-1.0	-57.00	308.32	3.97	-53.03
O=C(NC1=CC=CC2=CC=CN=C21)N1CCCC1C1=N[N-]N=N1	REAL300020225437	1	37	-1.0	-56.97	308.27	3.95	-53.02
CSCC[C@H](NC(=O)NC1=CC=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020225438	0	40	-1.0	-50.49	352.64	3.92	-46.57
CSCC[C@H](NC(=O)NC1=CC=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020225438	1	40	-1.0	-50.47	352.58	3.91	-46.56
O=C(NC1=CC=CC2=CC=CN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020225439	0	37	-1.0	-46.56	310.49	3.99	-42.57
O=C(NC1=CC=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020225439	1	37	-1.0	-46.56	310.42	3.97	-42.59
O=C(NC1=CC=CC2=CC=CN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020225440	0	43	-1.0	-52.88	331.82	5.77	-47.11
O=C(NC1=CC=CC2=CC=CN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020225440	1	43	-1.0	-52.90	331.76	5.76	-47.14
NC(=O)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225441	0	43	-1.0	-56.61	371.40	2.17	-54.44
NC(=O)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225441	1	43	-1.0	-56.57	371.34	2.14	-54.43
NC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225442	0	43	-1.0	-52.66	350.99	1.75	-50.91
NC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225442	1	43	-1.0	-52.70	351.05	1.76	-50.94
NC(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225443	0	40	-1.0	-75.90	336.57	0.80	-75.10
NC(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225443	1	40	-1.0	-75.88	336.63	0.82	-75.06
CSCC[C@H](NC(=O)NC1=CC=CC(OCC(N)=O)=C1)C1=N[N-]N=N1	REAL300020225444	0	43	-1.0	-67.82	380.37	0.74	-67.08
CSCC[C@H](NC(=O)NC1=CC=CC(OCC(N)=O)=C1)C1=NN=N[N-]1	REAL300020225444	1	43	-1.0	-67.83	380.43	0.75	-67.08
NC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225445	0	40	-1.0	-60.50	338.23	0.83	-59.67
NC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225445	1	40	-1.0	-60.53	338.30	0.84	-59.69
NC(=O)COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225446	0	46	-1.0	-54.51	366.61	1.88	-52.63
NC(=O)COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225446	1	46	-1.0	-54.51	366.66	1.91	-52.60
CCC(CC)C1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225447	0	44	-2.0	-93.87	383.97	4.36	-89.51
CCC(CC)C1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225447	1	44	-2.0	-93.89	384.03	4.39	-89.50
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020225448	0	44	-2.0	-96.28	367.06	4.25	-92.03
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020225448	1	44	-2.0	-96.28	367.12	4.26	-92.02
CCC(CC)C1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020225449	0	41	-2.0	-120.40	350.70	3.11	-117.29
CCC(CC)C1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020225449	1	41	-2.0	-120.42	350.76	3.13	-117.29
CCC(CC)C1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020225450	0	44	-2.0	-109.63	393.02	2.95	-106.68
CCC(CC)C1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020225450	1	44	-2.0	-109.56	393.07	2.97	-106.59
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020225451	0	41	-2.0	-97.99	351.44	3.16	-94.83
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020225451	1	41	-2.0	-97.95	351.52	3.17	-94.78
CCC(CC)C1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020225452	0	47	-2.0	-116.87	375.11	5.21	-111.66
CCC(CC)C1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020225452	1	47	-2.0	-116.84	375.16	5.21	-111.63
NC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225453	0	39	-1.0	-70.40	337.85	1.54	-68.86
NC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225453	1	39	-1.0	-70.37	337.80	1.51	-68.86
NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225454	0	39	-1.0	-48.26	317.42	1.10	-47.16
NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225454	1	39	-1.0	-48.26	317.47	1.11	-47.15
NC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225455	0	36	-1.0	-73.29	303.04	0.17	-73.12
NC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225455	1	36	-1.0	-73.28	303.10	0.19	-73.09
CSCC[C@H](NC(=O)NC1=CC=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020225456	0	39	-1.0	-65.30	346.83	0.11	-65.19
CSCC[C@H](NC(=O)NC1=CC=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020225456	1	39	-1.0	-65.32	346.89	0.12	-65.20
NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225457	0	36	-1.0	-56.90	304.40	0.24	-56.66
NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225457	1	36	-1.0	-56.90	304.47	0.25	-56.65
NC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225458	0	42	-1.0	-50.11	333.04	1.25	-48.86
NC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225458	1	42	-1.0	-50.11	333.09	1.27	-48.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=CC2=CC=CN=C21	REAL300020225459	0	40	-1.0	-47.31	360.09	5.88	-41.43
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=CC2=CC=CN=C21	REAL300020225459	1	40	-1.0	-47.25	360.03	5.86	-41.39
O=C(NC1=CC(Cl)=CC2=CC=CN=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225460	0	40	-1.0	-45.94	339.73	5.41	-40.53
O=C(NC1=CC(Cl)=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225460	1	40	-1.0	-45.87	339.67	5.39	-40.48
O=C(NC1=CC(Cl)=CC2=CC=CN=C21)N1CCCC1C1=NN=N[N-]1	REAL300020225461	0	37	-1.0	-56.83	325.00	4.48	-52.35
O=C(NC1=CC(Cl)=CC2=CC=CN=C21)N1CCCC1C1=N[N-]N=N1	REAL300020225461	1	37	-1.0	-56.83	324.94	4.46	-52.37
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020225462	0	40	-1.0	-50.01	369.34	4.42	-45.59
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020225462	1	40	-1.0	-49.98	369.28	4.41	-45.57
O=C(NC1=CC(Cl)=CC2=CC=CN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020225463	0	37	-1.0	-46.46	327.18	4.50	-41.96
O=C(NC1=CC(Cl)=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020225463	1	37	-1.0	-46.43	327.11	4.48	-41.95
O=C(NC1=CC(Cl)=CC2=CC=CN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020225464	0	43	-1.0	-53.55	348.81	6.37	-47.18
O=C(NC1=CC(Cl)=CC2=CC=CN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020225464	1	43	-1.0	-53.49	348.76	6.36	-47.13
CC1=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2O1	REAL300020225465	0	40	-1.0	-51.71	346.48	2.50	-49.21
CC1=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2O1	REAL300020225465	1	40	-1.0	-51.72	346.42	2.47	-49.25
CC1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2O1	REAL300020225466	0	40	-1.0	-46.23	327.84	1.93	-44.30
CC1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2O1	REAL300020225466	1	40	-1.0	-46.25	327.89	1.94	-44.31
CC1=NC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2O1	REAL300020225467	0	37	-1.0	-56.42	312.27	1.01	-55.41
CC1=NC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2O1	REAL300020225467	1	37	-1.0	-56.41	312.32	1.04	-55.37
CSCC[C@H](NC(=O)NC1=CC=C2N=C(C)OC2=C1)C1=N[N-]N=N1	REAL300020225468	0	40	-1.0	-48.37	355.95	0.99	-47.38
CSCC[C@H](NC(=O)NC1=CC=C2N=C(C)OC2=C1)C1=NN=N[N-]1	REAL300020225468	1	40	-1.0	-48.31	356.00	1.01	-47.30
CC1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020225469	0	37	-1.0	-49.60	313.79	1.08	-48.52
CC1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020225469	1	37	-1.0	-49.62	313.87	1.09	-48.53
CC1=NC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2O1	REAL300020225470	0	43	-1.0	-52.05	334.08	2.83	-49.22
CC1=NC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2O1	REAL300020225470	1	43	-1.0	-52.07	334.12	2.84	-49.23
CC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020225471	0	45	-1.0	-48.42	375.05	4.79	-43.63
CC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020225471	1	45	-1.0	-48.43	375.00	4.77	-43.66
CC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020225472	0	45	-1.0	-48.88	352.68	4.20	-44.68
CC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020225472	1	45	-1.0	-48.88	352.74	4.22	-44.66
CC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020225473	0	42	-1.0	-62.66	339.30	3.37	-59.29
CC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020225473	1	42	-1.0	-62.65	339.36	3.39	-59.26
CSCC[C@H](NC(=O)NC1=CC=CC(NC(C)=O)=C1C)C1=N[N-]N=N1	REAL300020225474	0	45	-1.0	-53.43	384.23	3.38	-50.05
CSCC[C@H](NC(=O)NC1=CC=CC(NC(C)=O)=C1C)C1=NN=N[N-]1	REAL300020225474	1	45	-1.0	-53.42	384.29	3.39	-50.03
CC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020225475	0	42	-1.0	-50.68	340.86	3.41	-47.27
CC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020225475	1	42	-1.0	-50.68	340.93	3.42	-47.26
CC(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020225476	0	48	-1.0	-57.96	362.23	5.17	-52.79
CC(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020225476	1	48	-1.0	-57.95	362.28	5.18	-52.77
CC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020225477	0	45	-1.0	-67.32	377.72	4.57	-62.75
CC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020225477	1	45	-1.0	-67.35	377.66	4.55	-62.80
CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020225478	0	45	-1.0	-53.76	358.84	4.02	-49.74
CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020225478	1	45	-1.0	-53.75	358.90	4.03	-49.72
CC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020225479	0	42	-1.0	-69.44	343.22	3.15	-66.29
CC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020225479	1	42	-1.0	-69.45	343.28	3.16	-66.29
CSCC[C@H](NC(=O)NC1=CC=C(NC(C)=O)C(C)=C1)C1=N[N-]N=N1	REAL300020225480	0	45	-1.0	-59.73	385.92	3.09	-56.64
CSCC[C@H](NC(=O)NC1=CC=C(NC(C)=O)C(C)=C1)C1=NN=N[N-]1	REAL300020225480	1	45	-1.0	-59.66	385.98	3.10	-56.56
CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020225481	0	42	-1.0	-47.88	345.61	3.18	-44.70
CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020225481	1	42	-1.0	-47.92	345.68	3.19	-44.73
CC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020225482	0	48	-1.0	-47.74	369.93	4.21	-43.53
CC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020225482	1	48	-1.0	-47.73	369.97	4.20	-43.53
CC1=NN(CC2=CC=CC=C2)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225483	0	48	-1.0	-50.69	405.47	7.97	-42.72
CC1=NN(CC2=CC=CC=C2)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225483	1	48	-1.0	-50.70	405.41	7.94	-42.76
CC1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225484	0	48	-1.0	-44.96	386.22	7.47	-37.49
CC1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225484	1	48	-1.0	-44.94	386.28	7.49	-37.45
CC1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225485	0	45	-1.0	-54.70	370.81	6.57	-48.13
CC1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225485	1	45	-1.0	-54.66	370.87	6.59	-48.07
CSCC[C@H](NC(=O)NC1=CC(C)=NN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020225486	0	48	-1.0	-47.70	414.37	6.53	-41.17
CSCC[C@H](NC(=O)NC1=CC(C)=NN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020225486	1	48	-1.0	-47.72	414.43	6.54	-41.18
CC1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225487	0	45	-1.0	-45.01	372.24	6.62	-38.39
CC1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225487	1	45	-1.0	-45.04	372.32	6.63	-38.41
CC1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225488	0	51	-1.0	-51.34	394.22	8.35	-42.99
CC1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225488	1	51	-1.0	-51.32	394.26	8.36	-42.96
CCCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225489	0	44	-1.0	-41.26	363.10	7.23	-34.03
CCCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225489	1	44	-1.0	-41.28	363.04	7.21	-34.07
CCCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225490	0	44	-1.0	-42.76	343.52	6.65	-36.11
CCCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225490	1	44	-1.0	-42.74	343.58	6.66	-36.08
CCCC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225491	0	41	-1.0	-55.22	328.68	5.83	-49.39
CCCC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225491	1	41	-1.0	-55.22	328.74	5.85	-49.37
CCCC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020225492	0	44	-1.0	-46.14	372.19	5.80	-40.34
CCCC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020225492	1	44	-1.0	-46.11	372.25	5.82	-40.29
CCCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225493	0	41	-1.0	-43.33	329.38	5.83	-37.50
CCCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225493	1	41	-1.0	-43.28	329.45	5.85	-37.43
CCCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225494	0	47	-1.0	-41.02	353.28	6.79	-34.23
CCCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225494	1	47	-1.0	-41.03	353.34	6.81	-34.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2NC(=O)CCC2=C1	REAL300020225495	0	43	-1.0	-57.68	363.17	3.94	-53.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2NC(=O)CCC2=C1	REAL300020225495	1	43	-1.0	-57.70	363.11	3.92	-53.78
O=C(NC1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225496	0	43	-1.0	-47.36	342.70	3.51	-43.85
O=C(NC1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225496	1	43	-1.0	-47.34	342.76	3.53	-43.81
O=C(NC1=CC=C2NC(=O)CCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225497	0	40	-1.0	-55.34	328.62	2.55	-52.79
O=C(NC1=CC=C2NC(=O)CCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225497	1	40	-1.0	-55.35	328.68	2.56	-52.79
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL300020225498	0	43	-1.0	-49.60	372.15	2.51	-47.09
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL300020225498	1	43	-1.0	-49.62	372.21	2.52	-47.10
O=C(NC1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225499	0	40	-1.0	-47.72	329.99	2.60	-45.12
O=C(NC1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225499	1	40	-1.0	-47.73	330.07	2.60	-45.13
O=C(NC1=CC=C2NC(=O)CCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225500	0	46	-1.0	-41.49	356.43	3.65	-37.84
O=C(NC1=CC=C2NC(=O)CCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225500	1	46	-1.0	-41.51	356.44	3.66	-37.85
CN(C)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225501	0	43	-1.0	-47.15	355.98	4.67	-42.48
CN(C)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225501	1	43	-1.0	-47.17	355.92	4.64	-42.53
CN(C)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225502	0	43	-1.0	-42.12	336.27	4.19	-37.93
CN(C)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225502	1	43	-1.0	-42.19	336.33	4.20	-37.99
CN(C)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225503	0	40	-1.0	-54.06	321.46	3.24	-50.82
CN(C)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225503	1	40	-1.0	-54.04	321.51	3.26	-50.78
CSCC[C@H](NC(=O)NC1=CC=CC=C1N(C)C)C1=N[N-]N=N1	REAL300020225504	0	43	-1.0	-46.79	365.12	3.19	-43.60
CSCC[C@H](NC(=O)NC1=CC=CC=C1N(C)C)C1=NN=N[N-]1	REAL300020225504	1	43	-1.0	-46.80	365.18	3.21	-43.59
CN(C)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225505	0	40	-1.0	-42.71	323.25	3.30	-39.41
CN(C)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225505	1	40	-1.0	-42.73	323.32	3.31	-39.42
CN(C)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225506	0	46	-1.0	-49.40	345.43	5.14	-44.26
CN(C)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225506	1	46	-1.0	-49.38	345.48	5.14	-44.24
CC(C)C(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225507	0	48	-1.0	-53.31	399.60	5.15	-48.16
CC(C)C(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225507	1	48	-1.0	-53.36	399.54	5.13	-48.23
CC(C)C(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225508	0	48	-1.0	-46.90	380.07	4.64	-42.26
CC(C)C(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225508	1	48	-1.0	-46.88	380.13	4.65	-42.23
CC(C)C(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225509	0	45	-1.0	-57.12	365.32	3.72	-53.40
CC(C)C(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225509	1	45	-1.0	-57.15	365.38	3.73	-53.42
CSCC[C@H](NC(=O)NC1=CC=CC(NC(=O)C(C)C)=C1)C1=N[N-]N=N1	REAL300020225510	0	48	-1.0	-47.91	408.54	3.70	-44.21
CSCC[C@H](NC(=O)NC1=CC=CC(NC(=O)C(C)C)=C1)C1=NN=N[N-]1	REAL300020225510	1	48	-1.0	-47.93	408.59	3.71	-44.22
CC(C)C(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225511	0	45	-1.0	-46.96	365.63	3.82	-43.14
CC(C)C(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225511	1	45	-1.0	-46.98	365.70	3.82	-43.16
CC(C)C(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225512	0	51	-1.0	-50.78	395.11	4.84	-45.94
CC(C)C(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225512	1	51	-1.0	-50.79	395.16	4.85	-45.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(NC(=O)C2CC2)=C1	REAL300020225513	0	46	-1.0	-54.00	390.30	5.27	-48.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(NC(=O)C2CC2)=C1	REAL300020225513	1	46	-1.0	-54.03	390.24	5.24	-48.79
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1)C1CC1	REAL300020225514	0	46	-1.0	-47.32	371.24	4.76	-42.56
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1)C1CC1	REAL300020225514	1	46	-1.0	-47.28	371.30	4.77	-42.51
O=C(NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1)C1CC1	REAL300020225515	0	43	-1.0	-54.43	355.79	3.85	-50.58
O=C(NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1)C1CC1	REAL300020225515	1	43	-1.0	-54.44	355.84	3.87	-50.57
CSCC[C@H](NC(=O)NC1=CC=CC(NC(=O)C2CC2)=C1)C1=N[N-]N=N1	REAL300020225516	0	46	-1.0	-51.44	399.27	3.81	-47.63
CSCC[C@H](NC(=O)NC1=CC=CC(NC(=O)C2CC2)=C1)C1=NN=N[N-]1	REAL300020225516	1	46	-1.0	-51.44	399.33	3.84	-47.60
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)C1CC1	REAL300020225517	0	43	-1.0	-47.68	356.77	3.92	-43.76
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C1CC1	REAL300020225517	1	43	-1.0	-47.66	356.84	3.94	-43.72
O=C(NC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1)C1CC1	REAL300020225518	0	49	-1.0	-54.29	378.45	4.92	-49.37
O=C(NC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1)C1CC1	REAL300020225518	1	49	-1.0	-54.31	378.46	4.93	-49.38
O=C(NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C1CCCO1	REAL300020225519	0	50	-1.0	-56.91	396.77	4.47	-52.44
O=C(NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C1CCCO1	REAL300020225519	1	50	-1.0	-56.91	396.83	4.49	-52.42
O=C(NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)C1CCCO1	REAL300020225520	0	47	-1.0	-58.48	381.85	3.53	-54.95
O=C(NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)C1CCCO1	REAL300020225520	1	47	-1.0	-58.53	381.90	3.55	-54.98
O=C(NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1CCCO1	REAL300020225521	0	47	-1.0	-49.80	382.70	3.62	-46.18
O=C(NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1CCCO1	REAL300020225521	1	47	-1.0	-49.83	382.77	3.62	-46.21
O=C(NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C1CCCO1	REAL300020225522	0	53	-1.0	-58.77	404.57	5.38	-53.39
O=C(NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C1CCCO1	REAL300020225522	1	53	-1.0	-58.82	404.62	5.38	-53.44
COCC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225523	0	46	-1.0	-60.05	392.70	3.75	-56.30
COCC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225523	1	46	-1.0	-60.04	392.64	3.72	-56.32
COCC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225524	0	46	-1.0	-50.37	373.47	3.27	-47.10
COCC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225524	1	46	-1.0	-50.42	373.53	3.29	-47.13
COCC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225525	0	43	-1.0	-59.01	357.62	2.38	-56.63
COCC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225525	1	43	-1.0	-59.04	357.67	2.39	-56.65
COCC(=O)NC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020225526	0	46	-1.0	-62.58	401.49	2.35	-60.23
COCC(=O)NC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020225526	1	46	-1.0	-62.54	401.54	2.36	-60.18
COCC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225527	0	43	-1.0	-58.18	359.35	2.41	-55.77
COCC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225527	1	43	-1.0	-58.19	359.43	2.42	-55.77
COCC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225528	0	49	-1.0	-60.34	381.26	4.18	-56.16
COCC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225528	1	49	-1.0	-60.36	381.31	4.18	-56.18
CC1=CC=CC(C(=O)N2CCCC2)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225529	0	52	-1.0	-53.21	399.48	8.31	-44.90
CC1=CC=CC(C(=O)N2CCCC2)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225529	1	52	-1.0	-53.20	399.53	8.32	-44.88
CC1=CC=CC(C(=O)N2CCCC2)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225530	0	49	-1.0	-70.49	384.05	7.30	-63.19
CC1=CC=CC(C(=O)N2CCCC2)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225530	1	49	-1.0	-70.51	384.11	7.31	-63.20
CC1=CC=CC(C(=O)N2CCCC2)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225531	0	49	-1.0	-56.98	382.39	7.43	-49.55
CC1=CC=CC(C(=O)N2CCCC2)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225531	1	49	-1.0	-57.01	382.46	7.44	-49.57
CC1=CC=CC(C(=O)N2CCCC2)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225532	0	55	-1.0	-53.38	397.29	7.19	-46.19
CC1=CC=CC(C(=O)N2CCCC2)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225532	1	55	-1.0	-53.42	397.34	7.20	-46.22
CCN(CC)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020225533	0	48	-1.0	-51.13	402.11	5.77	-45.36
CCN(CC)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020225533	1	48	-1.0	-51.20	402.17	5.79	-45.41
CCN(CC)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020225534	0	48	-1.0	-44.56	403.48	5.84	-38.72
CCN(CC)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020225534	1	48	-1.0	-44.59	403.55	5.84	-38.75
CCNC(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225535	0	49	-1.0	-66.81	414.77	4.41	-62.40
CCNC(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225535	1	49	-1.0	-66.85	414.83	4.44	-62.41
CCNC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225536	0	49	-1.0	-49.93	394.12	3.99	-45.94
CCNC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225536	1	49	-1.0	-49.91	394.17	4.00	-45.91
CCNC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225537	0	46	-1.0	-67.46	379.99	3.07	-64.39
CCNC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225537	1	46	-1.0	-67.49	380.05	3.09	-64.40
CCNC(=O)COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020225538	0	49	-1.0	-60.39	423.80	3.01	-57.38
CCNC(=O)COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020225538	1	49	-1.0	-60.40	423.86	3.02	-57.38
CCNC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225539	0	46	-1.0	-50.01	381.69	3.11	-46.90
CCNC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225539	1	46	-1.0	-50.04	381.77	3.11	-46.93
CCNC(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225540	0	52	-1.0	-54.66	403.57	4.88	-49.78
CCNC(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225540	1	52	-1.0	-54.66	403.62	4.88	-49.78
CN(C)C(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225541	0	49	-1.0	-55.41	410.51	5.59	-49.82
CN(C)C(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225541	1	49	-1.0	-55.39	410.57	5.62	-49.77
CN(C)C(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225542	0	49	-1.0	-50.34	390.40	5.14	-45.20
CN(C)C(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225542	1	49	-1.0	-50.35	390.46	5.15	-45.20
CN(C)C(=O)COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225543	0	46	-1.0	-68.30	376.27	4.22	-64.08
CN(C)C(=O)COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225543	1	46	-1.0	-68.27	376.33	4.24	-64.03
CSCC[C@H](NC(=O)NC1=CC=C(OCC(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL300020225544	0	49	-1.0	-52.94	420.08	4.16	-48.78
CSCC[C@H](NC(=O)NC1=CC=C(OCC(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL300020225544	1	49	-1.0	-52.89	420.14	4.17	-48.72
CN(C)C(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225545	0	46	-1.0	-50.39	377.98	4.25	-46.14
CN(C)C(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225545	1	46	-1.0	-50.41	378.05	4.26	-46.15
CN(C)C(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225546	0	52	-1.0	-55.18	400.50	6.03	-49.15
CN(C)C(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225546	1	52	-1.0	-55.14	400.55	6.04	-49.10
CCOC(=O)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225547	0	48	-1.0	-52.06	410.99	6.57	-45.49
CCOC(=O)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225547	1	48	-1.0	-52.09	411.05	6.59	-45.50
CCOC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225548	0	48	-1.0	-48.72	390.63	6.18	-42.54
CCOC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225548	1	48	-1.0	-48.73	390.69	6.19	-42.54
CCOC(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225549	0	45	-1.0	-70.66	376.22	5.23	-65.43
CCOC(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225549	1	45	-1.0	-70.71	376.28	5.25	-65.46
CCOC(=O)COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020225550	0	48	-1.0	-51.51	419.75	5.20	-46.31
CCOC(=O)COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020225550	1	48	-1.0	-51.50	419.81	5.22	-46.28
CCOC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225551	0	45	-1.0	-55.81	377.87	5.27	-50.54
CCOC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225551	1	45	-1.0	-55.77	377.94	5.28	-50.49
CCOC(=O)COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225552	0	51	-1.0	-53.28	399.87	7.01	-46.27
CCOC(=O)COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225552	1	51	-1.0	-53.32	399.93	7.03	-46.29
CCN(CC)C(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225553	0	52	-1.0	-76.96	418.06	6.15	-70.81
CCN(CC)C(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225553	1	52	-1.0	-76.94	418.12	6.17	-70.77
CCN(CC)C(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225554	0	52	-1.0	-60.72	419.71	6.18	-54.54
CCN(CC)C(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225554	1	52	-1.0	-60.75	419.79	6.19	-54.56
CCNC(=O)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225555	0	49	-1.0	-56.25	414.77	4.42	-51.83
CCNC(=O)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225555	1	49	-1.0	-56.22	414.83	4.45	-51.77
CCNC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225556	0	49	-1.0	-60.14	395.70	3.98	-56.16
CCNC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225556	1	49	-1.0	-60.18	395.76	3.99	-56.19
CCNC(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225557	0	46	-1.0	-75.97	380.00	3.08	-72.89
CCNC(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225557	1	46	-1.0	-75.97	380.06	3.10	-72.87
CCNC(=O)COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020225558	0	49	-1.0	-55.09	423.53	3.05	-52.04
CCNC(=O)COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020225558	1	49	-1.0	-55.10	423.58	3.07	-52.03
CCNC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225559	0	46	-1.0	-60.27	381.65	3.11	-57.16
CCNC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225559	1	46	-1.0	-60.23	381.72	3.12	-57.11
CCNC(=O)COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225560	0	52	-1.0	-56.87	403.65	4.86	-52.01
CCNC(=O)COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225560	1	52	-1.0	-56.89	403.71	4.88	-52.01
O=C(COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1)N1CCCC1	REAL300020225561	0	53	-1.0	-53.31	419.82	6.39	-46.92
O=C(COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1)N1CCCC1	REAL300020225561	1	53	-1.0	-53.28	419.87	6.41	-46.87
O=C(COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1)N1CCCC1	REAL300020225562	0	50	-1.0	-77.47	404.08	5.53	-71.94
O=C(COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1)N1CCCC1	REAL300020225562	1	50	-1.0	-77.54	404.14	5.54	-72.00
O=C(COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)N1CCCC1	REAL300020225563	0	50	-1.0	-61.38	405.73	5.55	-55.83
O=C(COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)N1CCCC1	REAL300020225563	1	50	-1.0	-61.33	405.80	5.57	-55.76
O=C(NC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225564	0	49	-1.0	-45.11	400.58	7.70	-37.41
O=C(NC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225564	1	49	-1.0	-45.13	400.64	7.71	-37.42
O=C(NC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225565	0	46	-1.0	-62.23	386.17	6.75	-55.48
O=C(NC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225565	1	46	-1.0	-62.24	386.23	6.77	-55.47
O=C(NC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225566	0	46	-1.0	-49.50	387.82	6.77	-42.73
O=C(NC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225566	1	46	-1.0	-49.51	387.90	6.77	-42.74
CNC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020225567	0	45	-1.0	-47.00	372.40	4.04	-42.96
CNC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020225567	1	45	-1.0	-46.97	372.34	4.02	-42.95
CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020225568	0	45	-1.0	-46.05	351.63	3.46	-42.59
CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020225568	1	45	-1.0	-46.10	351.69	3.47	-42.63
CNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020225569	0	42	-1.0	-56.13	337.16	2.55	-53.58
CNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020225569	1	42	-1.0	-56.16	337.22	2.56	-53.60
CNC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020225570	0	45	-1.0	-49.08	381.45	2.55	-46.53
CNC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020225570	1	45	-1.0	-49.08	381.50	2.57	-46.51
CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020225571	0	42	-1.0	-45.80	337.96	2.60	-43.20
CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020225571	1	42	-1.0	-45.81	338.04	2.62	-43.19
CNC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020225572	0	48	-1.0	-52.47	361.05	4.31	-48.16
CNC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020225572	1	48	-1.0	-52.46	361.10	4.33	-48.13
CNC(=O)CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225573	0	45	-1.0	-47.26	381.07	3.98	-43.28
CNC(=O)CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225573	1	45	-1.0	-47.23	381.01	3.96	-43.27
CNC(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225574	0	45	-1.0	-50.45	361.99	3.45	-47.00
CNC(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225574	1	45	-1.0	-50.52	362.05	3.46	-47.06
CNC(=O)CC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225575	0	42	-1.0	-58.20	345.77	2.48	-55.72
CNC(=O)CC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225575	1	42	-1.0	-58.24	345.83	2.51	-55.73
CNC(=O)CC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020225576	0	45	-1.0	-50.40	390.22	2.51	-47.89
CNC(=O)CC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020225576	1	45	-1.0	-50.42	390.28	2.52	-47.90
CNC(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225577	0	42	-1.0	-50.30	347.11	2.55	-47.75
CNC(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225577	1	42	-1.0	-50.32	347.19	2.56	-47.76
CNC(=O)CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225578	0	48	-1.0	-55.32	369.58	4.39	-50.93
CNC(=O)CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225578	1	48	-1.0	-55.34	369.63	4.39	-50.95
CNC(=O)CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225579	0	45	-1.0	-60.64	384.42	3.72	-56.92
CNC(=O)CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225579	1	45	-1.0	-60.64	384.36	3.69	-56.95
CNC(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225580	0	45	-1.0	-51.91	365.37	3.24	-48.67
CNC(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225580	1	45	-1.0	-51.89	365.42	3.26	-48.63
CNC(=O)CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225581	0	42	-1.0	-60.16	349.86	2.33	-57.83
CNC(=O)CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225581	1	42	-1.0	-60.16	349.92	2.34	-57.82
CNC(=O)CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020225582	0	45	-1.0	-57.05	393.39	2.29	-54.76
CNC(=O)CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020225582	1	45	-1.0	-57.04	393.45	2.30	-54.74
CNC(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225583	0	42	-1.0	-51.30	350.97	2.41	-48.89
CNC(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225583	1	42	-1.0	-51.34	351.05	2.42	-48.92
CNC(=O)CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225584	0	48	-1.0	-48.70	377.66	3.42	-45.28
CNC(=O)CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225584	1	48	-1.0	-48.64	377.70	3.43	-45.21
O=C(NC1=CC=C(C2=NC=CS2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225585	0	41	-1.0	-51.84	367.29	5.72	-46.12
O=C(NC1=CC=C(C2=NC=CS2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225585	1	41	-1.0	-51.86	367.23	5.70	-46.16
O=C(NC1=CC=C(C2=NC=CS2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225586	0	41	-1.0	-45.20	348.42	5.21	-39.99
O=C(NC1=CC=C(C2=NC=CS2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225586	1	41	-1.0	-45.19	348.37	5.20	-39.99
O=C(NC1=CC=C(C2=NC=CS2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225587	0	38	-1.0	-55.54	333.27	4.26	-51.28
O=C(NC1=CC=C(C2=NC=CS2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225587	1	38	-1.0	-55.56	333.21	4.24	-51.32
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC=CS2)C=C1)C1=NN=N[N-]1	REAL300020225588	0	41	-1.0	-51.76	376.80	4.23	-47.53
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC=CS2)C=C1)C1=N[N-]N=N1	REAL300020225588	1	41	-1.0	-51.79	376.74	4.21	-47.58
O=C(NC1=CC=C(C2=NC=CS2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225589	0	38	-1.0	-46.61	334.67	4.31	-42.30
O=C(NC1=CC=C(C2=NC=CS2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225589	1	38	-1.0	-46.59	334.60	4.29	-42.30
O=C(NC1=CC=C(C2=NC=CS2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225590	0	44	-1.0	-54.95	354.14	6.14	-48.81
O=C(NC1=CC=C(C2=NC=CS2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225590	1	44	-1.0	-54.92	354.10	6.13	-48.79
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020225591	0	40	-2.0	-118.35	375.24	4.79	-113.56
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020225591	1	40	-2.0	-118.38	375.30	4.82	-113.56
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225592	0	40	-2.0	-96.31	376.06	4.87	-91.44
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225592	1	40	-2.0	-96.32	375.98	4.85	-91.47
CCCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225593	0	48	-1.0	-44.64	393.59	6.48	-38.16
CCCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225593	1	48	-1.0	-44.65	393.64	6.50	-38.15
CCCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225594	0	45	-1.0	-54.70	378.88	5.55	-49.15
CCCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225594	1	45	-1.0	-54.69	378.94	5.56	-49.13
CCCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225595	0	45	-1.0	-44.87	379.92	5.58	-39.29
CCCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225595	1	45	-1.0	-44.90	380.00	5.60	-39.30
O=C(NC1=CC(Cl)=CC=C1OC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225596	0	46	-1.0	-42.03	388.20	7.80	-34.23
O=C(NC1=CC(Cl)=CC=C1OC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225596	1	46	-1.0	-42.02	388.26	7.82	-34.20
O=C(NC1=CC(Cl)=CC=C1OC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225597	0	43	-1.0	-52.90	373.84	6.86	-46.04
O=C(NC1=CC(Cl)=CC=C1OC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225597	1	43	-1.0	-52.88	373.90	6.87	-46.01
O=C(NC1=CC(Cl)=CC=C1OC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225598	0	43	-1.0	-42.79	375.79	6.89	-35.90
O=C(NC1=CC(Cl)=CC=C1OC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225598	1	43	-1.0	-42.77	375.87	6.90	-35.87
CC1CCCN(CC2=CSC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)C1	REAL300020225599	0	52	-1.0	-41.80	407.97	4.85	-36.95
CC1CCCN(CC2=CSC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)C1	REAL300020225599	1	52	-1.0	-41.80	408.03	4.87	-36.93
CC1CCCN(CC2=CSC(NC(=O)N3CCCC3C3=N[N-]N=N3)=N2)C1	REAL300020225600	0	49	-1.0	-49.19	389.63	3.51	-45.68
CC1CCCN(CC2=CSC(NC(=O)N3CCCC3C3=NN=N[N-]3)=N2)C1	REAL300020225600	1	49	-1.0	-49.21	389.68	3.54	-45.67
CC1CCCN(CC2=CSC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C1	REAL300020225601	0	49	-1.0	-40.29	394.02	3.98	-36.31
CC1CCCN(CC2=CSC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C1	REAL300020225601	1	49	-1.0	-40.29	394.09	3.99	-36.30
O=C(NC1=CC=C(C2=NC3=CC=CC=C3S2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225602	0	44	-1.0	-57.99	379.99	6.59	-51.40
O=C(NC1=CC=C(C2=NC3=CC=CC=C3S2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225602	1	44	-1.0	-57.97	379.93	6.58	-51.39
O=C(NC1=CC=C(C2=NC3=CC=CC=C3S2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225603	0	44	-1.0	-49.11	381.13	6.68	-42.43
O=C(NC1=CC=C(C2=NC3=CC=CC=C3S2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225603	1	44	-1.0	-49.08	381.05	6.66	-42.42
O=C(NC1=CC=C2OC3(CCCC3)OC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225604	0	48	-1.0	-45.87	394.95	6.16	-39.71
O=C(NC1=CC=C2OC3(CCCC3)OC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225604	1	48	-1.0	-45.88	395.01	6.19	-39.69
O=C(NC1=CC=C2OC3(CCCC3)OC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225605	0	48	-1.0	-43.79	375.72	5.71	-38.08
O=C(NC1=CC=C2OC3(CCCC3)OC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225605	1	48	-1.0	-43.77	375.78	5.73	-38.04
O=C(NC1=CC=C2OC3(CCCC3)OC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225606	0	45	-1.0	-62.35	360.34	4.80	-57.55
O=C(NC1=CC=C2OC3(CCCC3)OC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225606	1	45	-1.0	-62.37	360.40	4.82	-57.55
CSCC[C@H](NC(=O)NC1=CC=C2OC3(CCCC3)OC2=C1)C1=N[N-]N=N1	REAL300020225607	0	48	-1.0	-53.41	403.69	4.80	-48.61
CSCC[C@H](NC(=O)NC1=CC=C2OC3(CCCC3)OC2=C1)C1=NN=N[N-]1	REAL300020225607	1	48	-1.0	-53.44	403.75	4.81	-48.63
O=C(NC1=CC=C2OC3(CCCC3)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225608	0	45	-1.0	-48.68	361.60	4.87	-43.81
O=C(NC1=CC=C2OC3(CCCC3)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225608	1	45	-1.0	-48.69	361.68	4.89	-43.80
O=C(NC1=CC=C2OC3(CCCC3)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225609	0	51	-1.0	-43.33	388.16	5.86	-37.47
O=C(NC1=CC=C2OC3(CCCC3)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225609	1	51	-1.0	-43.30	388.20	5.87	-37.43
CC(C)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225610	0	44	-1.0	-53.23	363.36	6.70	-46.53
CC(C)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225610	1	44	-1.0	-53.19	363.31	6.68	-46.51
CC(C)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225611	0	44	-1.0	-43.86	344.38	6.19	-37.67
CC(C)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225611	1	44	-1.0	-43.87	344.44	6.21	-37.66
CC(C)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225612	0	41	-1.0	-52.88	329.01	5.27	-47.61
CC(C)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225612	1	41	-1.0	-52.91	329.07	5.29	-47.62
CSCC[C@H](NC(=O)NC1=CC=CC(C(C)C)=C1)C1=N[N-]N=N1	REAL300020225613	0	44	-1.0	-50.25	372.50	5.23	-45.02
CSCC[C@H](NC(=O)NC1=CC=CC(C(C)C)=C1)C1=NN=N[N-]1	REAL300020225613	1	44	-1.0	-50.27	372.55	5.25	-45.02
CC(C)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225614	0	41	-1.0	-43.38	330.05	5.35	-38.03
CC(C)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225614	1	41	-1.0	-43.35	330.13	5.36	-37.99
CC(C)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225615	0	47	-1.0	-48.88	352.36	7.08	-41.80
CC(C)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225615	1	47	-1.0	-48.90	352.42	7.10	-41.80
CCCCCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225616	0	50	-1.0	-54.11	410.70	8.54	-45.57
CCCCCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225616	1	50	-1.0	-54.13	410.64	8.51	-45.62
CCCCCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225617	0	50	-1.0	-43.62	391.65	8.06	-35.56
CCCCCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225617	1	50	-1.0	-43.61	391.71	8.08	-35.53
CCCCCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225618	0	47	-1.0	-53.13	376.14	7.14	-45.99
CCCCCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225618	1	47	-1.0	-53.11	376.19	7.15	-45.96
CCCCCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020225619	0	50	-1.0	-48.67	419.67	7.11	-41.56
CCCCCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020225619	1	50	-1.0	-48.71	419.72	7.12	-41.59
CCCCCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225620	0	47	-1.0	-43.79	377.25	7.23	-36.56
CCCCCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225620	1	47	-1.0	-43.79	377.33	7.24	-36.55
CCCCCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225621	0	53	-1.0	-49.60	399.43	8.98	-40.62
CCCCCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225621	1	53	-1.0	-49.62	399.48	8.99	-40.63
CCCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225622	0	44	-1.0	-54.11	367.70	6.98	-47.13
CCCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225622	1	44	-1.0	-54.09	367.64	6.95	-47.14
CCCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225623	0	44	-1.0	-43.69	348.65	6.50	-37.19
CCCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225623	1	44	-1.0	-43.73	348.71	6.51	-37.22
CCCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225624	0	41	-1.0	-53.11	333.14	5.58	-47.53
CCCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225624	1	41	-1.0	-53.11	333.20	5.60	-47.51
CCCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020225625	0	44	-1.0	-48.61	376.67	5.54	-43.07
CCCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020225625	1	44	-1.0	-48.62	376.73	5.56	-43.06
CCCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225626	0	41	-1.0	-43.81	334.25	5.67	-38.14
CCCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225626	1	41	-1.0	-43.78	334.33	5.67	-38.11
CCCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225627	0	47	-1.0	-49.47	356.43	7.42	-42.05
CCCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225627	1	47	-1.0	-49.47	356.48	7.43	-42.04
CCOC1=CC=C(OCC)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225628	0	49	-1.0	-57.89	404.85	5.33	-52.56
CCOC1=CC=C(OCC)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225628	1	49	-1.0	-57.89	404.79	5.30	-52.59
CCOC1=CC=C(OCC)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225629	0	49	-1.0	-47.10	386.21	4.82	-42.28
CCOC1=CC=C(OCC)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225629	1	49	-1.0	-47.16	386.27	4.84	-42.32
CCOC1=CC=C(OCC)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225630	0	46	-1.0	-58.12	369.68	3.93	-54.19
CCOC1=CC=C(OCC)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225630	1	46	-1.0	-58.11	369.74	3.95	-54.16
CCOC1=CC=C(OCC)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020225631	0	49	-1.0	-52.56	413.20	3.90	-48.66
CCOC1=CC=C(OCC)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020225631	1	49	-1.0	-52.58	413.25	3.91	-48.67
CCOC1=CC=C(OCC)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225632	0	46	-1.0	-47.02	371.07	3.99	-43.03
CCOC1=CC=C(OCC)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225632	1	46	-1.0	-47.03	371.14	4.01	-43.02
CCOC1=CC=C(OCC)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225633	0	52	-1.0	-46.25	397.35	5.10	-41.15
CCOC1=CC=C(OCC)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225633	1	52	-1.0	-46.23	397.39	5.10	-41.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1SC(F)F	REAL300020225634	0	39	-1.0	-41.83	349.71	6.16	-35.67
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1SC(F)F	REAL300020225634	1	39	-1.0	-41.81	349.65	6.13	-35.68
O=C(NC1=CC=CC=C1SC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225635	0	39	-1.0	-43.81	330.92	5.68	-38.13
O=C(NC1=CC=CC=C1SC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225635	1	39	-1.0	-43.78	330.97	5.70	-38.08
O=C(NC1=CC=CC=C1SC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020225636	0	36	-1.0	-53.94	316.36	4.77	-49.17
O=C(NC1=CC=CC=C1SC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020225636	1	36	-1.0	-53.92	316.41	4.80	-49.12
CSCC[C@H](NC(=O)NC1=CC=CC=C1SC(F)F)C1=N[N-]N=N1	REAL300020225637	0	39	-1.0	-46.96	359.01	4.72	-42.24
CSCC[C@H](NC(=O)NC1=CC=CC=C1SC(F)F)C1=NN=N[N-]1	REAL300020225637	1	39	-1.0	-46.95	359.07	4.74	-42.21
O=C(NC1=CC=CC=C1SC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020225638	0	36	-1.0	-43.31	316.85	4.83	-38.48
O=C(NC1=CC=CC=C1SC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020225638	1	36	-1.0	-43.31	316.92	4.83	-38.48
O=C(NC1=CC=CC=C1SC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020225639	0	42	-1.0	-41.92	341.51	5.82	-36.10
O=C(NC1=CC=CC=C1SC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020225639	1	42	-1.0	-41.94	341.56	5.85	-36.09
O=C(NC1=CC=CC=C1C1=NC2=CC=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020225640	0	44	-1.0	-57.75	374.07	7.45	-50.30
O=C(NC1=CC=CC=C1C1=NC2=CC=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020225640	1	44	-1.0	-57.74	374.01	7.42	-50.32
O=C(NC1=CC=CC=C1C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225641	0	44	-1.0	-45.99	376.56	7.49	-38.50
O=C(NC1=CC=CC=C1C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225641	1	44	-1.0	-45.98	376.48	7.48	-38.50
CN(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225642	0	46	-1.0	-43.96	375.33	5.16	-38.80
CN(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225642	1	46	-1.0	-43.95	375.39	5.18	-38.77
CN(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225643	0	43	-1.0	-54.03	360.63	4.24	-49.79
CN(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225643	1	43	-1.0	-53.99	360.69	4.26	-49.73
CN(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225644	0	43	-1.0	-44.28	361.67	4.27	-40.01
CN(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225644	1	43	-1.0	-44.26	361.74	4.29	-39.97
CN(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225645	0	49	-1.0	-49.85	384.63	5.97	-43.88
CN(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225645	1	49	-1.0	-49.88	384.69	5.97	-43.91
O=C([N-]C1=NC=C(CC2=CC=CC=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225646	0	43	-2.0	-103.12	389.68	6.79	-96.33
O=C([N-]C1=NC=C(CC2=CC=CC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225646	1	43	-2.0	-103.17	389.63	6.77	-96.40
O=C(NC1=NC=C(CC2=CC=CC=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225646	1	44	-1.0	-46.09	392.92	7.99	-38.10
O=C(NC1=NC=C(CC2=CC=CC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225646	1	44	-1.0	-46.09	392.86	7.97	-38.12
O=C(NC1=NC=C(CC2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225647	0	44	-1.0	-48.39	373.71	7.50	-40.89
O=C(NC1=NC=C(CC2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225647	1	44	-1.0	-48.42	373.66	7.48	-40.94
O=C(NC1=NC=C(CC2=CC=CC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020225648	0	41	-1.0	-59.84	358.29	6.60	-53.24
O=C(NC1=NC=C(CC2=CC=CC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020225648	1	41	-1.0	-59.81	358.23	6.58	-53.23
CSCC[C@H](NC(=O)NC1=NC=C(CC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020225649	0	44	-1.0	-52.24	401.90	6.57	-45.67
CSCC[C@H](NC(=O)NC1=NC=C(CC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020225649	1	44	-1.0	-52.21	401.84	6.55	-45.66
O=C(NC1=NC=C(CC2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225650	0	41	-1.0	-48.69	359.77	6.65	-42.04
O=C(NC1=NC=C(CC2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225650	1	41	-1.0	-48.70	359.69	6.64	-42.06
O=C(NC1=NC=C(CC2=CC=CC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225651	0	47	-1.0	-54.64	382.20	8.37	-46.27
O=C(NC1=NC=C(CC2=CC=CC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225651	1	47	-1.0	-54.65	382.15	8.36	-46.29
CCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225652	0	38	-2.0	-92.36	346.27	3.26	-89.10
CCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225652	1	38	-2.0	-92.33	346.21	3.23	-89.10
CCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020225653	0	38	-2.0	-94.57	329.23	3.11	-91.46
CCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020225653	1	38	-2.0	-94.50	329.29	3.13	-91.37
CCCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020225654	0	35	-2.0	-118.11	313.41	2.00	-116.11
CCCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020225654	1	35	-2.0	-118.12	313.47	2.01	-116.11
CCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020225655	0	38	-2.0	-107.75	355.20	1.82	-105.93
CCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020225655	1	38	-2.0	-107.69	355.26	1.83	-105.86
CCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020225656	0	35	-2.0	-96.34	314.18	2.05	-94.29
CCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020225656	1	35	-2.0	-96.33	314.25	2.06	-94.27
CCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020225657	0	41	-2.0	-114.61	337.84	4.10	-110.51
CCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020225657	1	41	-2.0	-114.69	337.89	4.10	-110.59
N#CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225658	0	40	-1.0	-51.68	353.89	4.79	-46.89
N#CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225658	1	40	-1.0	-51.68	353.83	4.77	-46.91
N#CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225659	0	40	-1.0	-46.78	333.33	4.30	-42.48
N#CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225659	1	40	-1.0	-46.84	333.38	4.32	-42.52
N#CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225660	0	37	-1.0	-62.74	319.20	3.39	-59.35
N#CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225660	1	37	-1.0	-62.67	319.26	3.41	-59.26
CSCC[C@H](NC(=O)NC1=CC=C(OCC#N)C=C1)C1=N[N-]N=N1	REAL300020225661	0	40	-1.0	-49.60	363.02	3.32	-46.28
CSCC[C@H](NC(=O)NC1=CC=C(OCC#N)C=C1)C1=NN=N[N-]1	REAL300020225661	1	40	-1.0	-49.58	363.07	3.33	-46.25
N#CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225662	0	37	-1.0	-46.99	320.90	3.42	-43.57
N#CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225662	1	37	-1.0	-47.00	320.98	3.43	-43.57
N#CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225663	0	43	-1.0	-50.10	342.78	5.19	-44.91
N#CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225663	1	43	-1.0	-50.11	342.83	5.20	-44.91
O=C(NC1=CC=C(N2CCCC2=O)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225664	0	46	-1.0	-56.80	380.67	5.86	-50.94
O=C(NC1=CC=C(N2CCCC2=O)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225664	1	46	-1.0	-56.77	380.61	5.84	-50.93
O=C(NC1=CC=C(N2CCCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225665	0	46	-1.0	-48.10	362.06	5.40	-42.70
O=C(NC1=CC=C(N2CCCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225665	1	46	-1.0	-48.09	362.12	5.41	-42.68
O=C(NC1=CC=C(N2CCCC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225666	0	43	-1.0	-57.38	346.76	4.47	-52.91
O=C(NC1=CC=C(N2CCCC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225666	1	43	-1.0	-57.31	346.82	4.49	-52.82
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2=O)C=C1)C1=N[N-]N=N1	REAL300020225667	0	46	-1.0	-62.46	390.29	4.43	-58.03
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2=O)C=C1)C1=NN=N[N-]1	REAL300020225667	1	46	-1.0	-62.50	390.35	4.45	-58.05
O=C(NC1=CC=C(N2CCCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225668	0	43	-1.0	-55.82	347.45	4.53	-51.29
O=C(NC1=CC=C(N2CCCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225668	1	43	-1.0	-55.80	347.52	4.54	-51.26
O=C(NC1=CC=C(N2CCCC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225669	0	49	-1.0	-50.26	376.21	5.46	-44.80
O=C(NC1=CC=C(N2CCCC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225669	1	49	-1.0	-50.30	376.26	5.47	-44.83
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC1	REAL300020225670	0	56	0.0	-68.29	413.45	6.00	-62.29
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020225670	1	56	0.0	-68.30	413.51	6.02	-62.28
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020225671	0	53	0.0	-76.42	398.00	5.09	-71.33
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020225671	1	53	0.0	-76.41	398.05	5.10	-71.31
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020225672	0	53	0.0	-71.44	400.03	5.18	-66.26
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020225672	1	53	0.0	-71.37	400.10	5.18	-66.19
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020225673	0	59	0.0	-66.96	421.46	6.90	-60.06
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020225673	1	59	0.0	-66.89	421.51	6.90	-59.99
CC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020225674	0	43	-2.0	-93.89	370.91	5.37	-88.52
CC1CCC2=C(C1)SC(NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020225674	1	44	-1.0	-45.60	374.17	6.58	-39.02
CC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020225674	1	43	-2.0	-93.84	370.85	5.35	-88.49
CC1CCC2=C(C1)SC(NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020225674	1	44	-1.0	-45.62	374.11	6.55	-39.07
CC1CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)=N2	REAL300020225675	0	44	-1.0	-47.72	354.90	6.07	-41.65
CC1CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)=N2	REAL300020225675	1	44	-1.0	-47.75	354.96	6.08	-41.67
CC1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020225676	0	41	-1.0	-59.92	339.50	5.17	-54.75
CC1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=NN=N[N-]1)=N2	REAL300020225676	1	41	-1.0	-59.96	339.56	5.18	-54.78
CSCC[C@H](NC(=O)NC1=NC2=C(CC(C)CC2)S1)C1=N[N-]N=N1	REAL300020225677	0	44	-1.0	-51.99	383.09	5.13	-46.86
CSCC[C@H](NC(=O)NC1=NC2=C(CC(C)CC2)S1)C1=NN=N[N-]1	REAL300020225677	1	44	-1.0	-51.98	383.14	5.15	-46.83
CC1CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020225678	0	41	-1.0	-48.40	340.94	5.22	-43.18
CC1CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020225678	1	41	-1.0	-48.38	341.02	5.24	-43.14
CC1CCC2=C(C1)SC(NC(=O)N1CCCCC1CC1=N[N-]N=N1)=N2	REAL300020225679	0	47	-1.0	-55.43	363.43	6.94	-48.49
CC1CCC2=C(C1)SC(NC(=O)N1CCCCC1CC1=NN=N[N-]1)=N2	REAL300020225679	1	47	-1.0	-55.42	363.48	6.96	-48.46
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225680	0	39	-2.0	-95.37	361.37	4.72	-90.65
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225680	1	39	-2.0	-95.35	361.31	4.70	-90.65
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225681	0	39	-2.0	-97.86	344.35	4.58	-93.28
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225681	1	39	-2.0	-97.83	344.41	4.59	-93.24
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020225682	0	36	-2.0	-122.37	328.52	3.48	-118.89
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020225682	1	36	-2.0	-122.35	328.58	3.50	-118.85
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020225683	0	39	-2.0	-111.48	370.30	3.29	-108.19
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020225683	1	39	-2.0	-111.48	370.35	3.31	-108.17
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225684	0	36	-2.0	-99.63	329.27	3.53	-96.10
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225684	1	36	-2.0	-99.60	329.34	3.54	-96.06
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225685	0	42	-2.0	-118.95	352.93	5.58	-113.37
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225685	1	42	-2.0	-118.94	352.98	5.58	-113.36
CN1N=C(C(C)(C)C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225686	0	47	-1.0	-43.42	385.48	5.95	-37.47
CN1N=C(C(C)(C)C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225686	1	47	-1.0	-43.42	385.42	5.92	-37.50
CN1N=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225687	0	47	-1.0	-44.94	366.29	5.48	-39.46
CN1N=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225687	1	47	-1.0	-44.95	366.24	5.46	-39.49
CN1N=C(C(C)(C)C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225688	0	44	-1.0	-55.26	350.87	4.57	-50.69
CN1N=C(C(C)(C)C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225688	1	44	-1.0	-55.22	350.81	4.55	-50.67
CSCC[C@H](NC(=O)NC1=CC(C(C)(C)C)=NN1C)C1=NN=N[N-]1	REAL300020225689	0	47	-1.0	-48.04	394.48	4.52	-43.52
CSCC[C@H](NC(=O)NC1=CC(C(C)(C)C)=NN1C)C1=N[N-]N=N1	REAL300020225689	1	47	-1.0	-48.03	394.42	4.51	-43.52
CN1N=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225690	0	44	-1.0	-45.19	352.36	4.62	-40.57
CN1N=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225690	1	44	-1.0	-45.14	352.29	4.60	-40.54
CN1N=C(C(C)(C)C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225691	0	50	-1.0	-51.49	374.33	6.35	-45.14
CN1N=C(C(C)(C)C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225691	1	50	-1.0	-51.49	374.29	6.35	-45.14
O=C([N-]C1=NC2=C(CCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225692	0	37	-2.0	-95.05	332.22	4.18	-90.87
O=C(NC1=NC2=C(CCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225692	1	38	-1.0	-47.03	335.48	5.39	-41.64
O=C([N-]C1=NC2=C(CCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225692	1	37	-2.0	-95.04	332.16	4.15	-90.89
O=C(NC1=NC2=C(CCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225692	1	38	-1.0	-47.02	335.42	5.36	-41.66
O=C(NC1=NC2=C(CCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225693	0	38	-1.0	-43.63	314.19	4.50	-39.13
O=C(NC1=NC2=C(CCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225693	1	38	-1.0	-43.64	314.25	4.51	-39.13
O=C(NC1=NC2=C(CCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020225694	0	35	-1.0	-61.42	300.77	3.98	-57.44
O=C(NC1=NC2=C(CCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020225694	1	35	-1.0	-61.44	300.83	3.99	-57.45
CSCC[C@H](NC(=O)NC1=NC2=C(CCC2)S1)C1=N[N-]N=N1	REAL300020225695	0	38	-1.0	-53.47	344.40	3.95	-49.52
CSCC[C@H](NC(=O)NC1=NC2=C(CCC2)S1)C1=NN=N[N-]1	REAL300020225695	1	38	-1.0	-53.46	344.46	3.96	-49.50
O=C(NC1=NC2=C(CCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225696	0	35	-1.0	-42.22	300.19	3.64	-38.58
O=C(NC1=NC2=C(CCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225696	1	35	-1.0	-42.20	300.26	3.66	-38.54
O=C(NC1=NC2=C(CCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225697	0	41	-1.0	-56.80	324.47	5.75	-51.05
O=C(NC1=NC2=C(CCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225697	1	41	-1.0	-56.85	324.52	5.76	-51.09
CC(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020225698	0	39	-2.0	-97.06	345.53	3.62	-93.44
CC(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020225698	1	39	-2.0	-97.03	345.48	3.60	-93.43
CC(C)C1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020225698	1	40	-1.0	-40.07	348.76	4.82	-35.25
CC(C)C1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020225698	1	40	-1.0	-40.09	348.70	4.80	-35.29
CC(C)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020225699	0	40	-1.0	-41.77	329.50	4.34	-37.43
CC(C)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020225699	1	40	-1.0	-41.83	329.56	4.35	-37.48
CC(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020225699	1	39	-2.0	-89.57	328.45	3.49	-86.08
CC(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020225699	1	39	-2.0	-89.54	328.50	3.50	-86.04
CC(C)C1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020225700	0	37	-1.0	-48.79	314.06	3.42	-45.37
CC(C)C1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020225700	1	37	-1.0	-48.79	314.12	3.44	-45.35
CC(C)C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020225700	1	36	-2.0	-109.63	312.64	2.38	-107.25
CC(C)C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020225700	1	36	-2.0	-109.61	312.70	2.40	-107.21
CSCC[C@H](NC(=O)NC1=NC(C(C)C)=CS1)C1=N[N-]N=N1	REAL300020225701	0	40	-1.0	-43.06	357.67	3.39	-39.67
CSCC[C@H](NC(=O)NC1=NC(C(C)C)=CS1)C1=NN=N[N-]1	REAL300020225701	1	40	-1.0	-43.06	357.72	3.41	-39.65
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)C)=CS1)C1=N[N-]N=N1	REAL300020225701	1	39	-2.0	-100.47	354.43	2.19	-98.28
CC(C)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020225702	0	37	-1.0	-40.40	315.54	3.47	-36.93
CC(C)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020225702	1	37	-1.0	-40.39	315.62	3.48	-36.91
CC(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020225702	1	36	-2.0	-89.67	313.39	2.43	-87.24
CC(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020225702	1	36	-2.0	-89.68	313.46	2.44	-87.24
CC(C)C1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020225703	0	43	-1.0	-45.18	337.96	5.21	-39.97
CC(C)C1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020225703	1	43	-1.0	-45.18	337.99	5.22	-39.96
CC(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020225703	1	42	-2.0	-106.27	337.08	4.47	-101.80
CC(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020225703	1	42	-2.0	-106.33	337.11	4.50	-101.83
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225704	0	48	-1.0	-49.32	400.56	6.90	-42.42
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225704	1	48	-1.0	-49.30	400.51	6.88	-42.42
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225705	0	48	-1.0	-48.87	384.08	6.36	-42.51
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225705	1	48	-1.0	-48.89	384.13	6.38	-42.51
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225706	0	45	-1.0	-59.23	372.42	5.60	-53.63
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225706	1	45	-1.0	-59.26	372.48	5.61	-53.65
CSCC[C@H](NC(=O)NC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020225707	0	48	-1.0	-53.79	416.08	5.56	-48.23
CSCC[C@H](NC(=O)NC1=C(C)N(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020225707	1	48	-1.0	-53.84	416.13	5.57	-48.27
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225708	0	45	-1.0	-48.44	373.81	5.63	-42.81
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225708	1	45	-1.0	-48.46	373.88	5.65	-42.81
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225709	0	51	-1.0	-56.25	387.40	7.30	-48.95
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225709	1	51	-1.0	-56.24	387.46	7.31	-48.93
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225710	0	46	-1.0	-48.57	379.74	2.28	-46.29
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225710	1	46	-1.0	-48.56	379.80	2.29	-46.27
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225711	0	43	-1.0	-58.51	365.05	1.32	-57.19
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225711	1	43	-1.0	-58.53	365.11	1.34	-57.19
CSCC[C@H](NC(=O)NC1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL300020225712	0	46	-1.0	-51.54	406.76	1.40	-50.14
CSCC[C@H](NC(=O)NC1=CC=C(S(=O)(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL300020225712	1	46	-1.0	-51.59	406.82	1.42	-50.17
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225713	0	43	-1.0	-49.28	366.13	1.40	-47.88
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225713	1	43	-1.0	-49.31	366.20	1.41	-47.90
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225714	0	49	-1.0	-52.06	388.20	3.29	-48.77
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225714	1	49	-1.0	-52.07	388.25	3.29	-48.78
CCCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225715	0	41	-2.0	-92.37	367.77	4.04	-88.33
CCCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225715	1	41	-2.0	-92.38	367.71	4.01	-88.37
CCCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020225716	0	41	-2.0	-94.55	350.73	3.89	-90.66
CCCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020225716	1	41	-2.0	-94.55	350.78	3.91	-90.64
CCCCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020225717	0	38	-2.0	-118.23	334.91	2.79	-115.44
CCCCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020225717	1	38	-2.0	-118.21	334.97	2.79	-115.42
CCCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020225718	0	41	-2.0	-107.93	376.70	2.60	-105.33
CCCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020225718	1	41	-2.0	-107.89	376.76	2.61	-105.28
CCCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020225719	0	38	-2.0	-96.35	335.68	2.83	-93.52
CCCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020225719	1	38	-2.0	-96.37	335.75	2.84	-93.53
CCCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020225720	0	44	-2.0	-114.72	359.34	4.88	-109.84
CCCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020225720	1	44	-2.0	-114.76	359.39	4.88	-109.88
CC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225721	0	33	-2.0	-101.87	308.29	2.99	-98.88
CC1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225721	1	34	-1.0	-45.50	311.54	4.19	-41.31
CC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225721	1	33	-2.0	-101.91	308.24	2.96	-98.95
CC1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225721	1	34	-1.0	-45.49	311.48	4.16	-41.33
CSCC[C@H](NC(=O)NC1=NC=C(C)S1)C1=NN=N[N-]1	REAL300020225722	0	34	-1.0	-51.37	320.51	2.76	-48.61
CSCC[C@H](NC(=O)NC1=NC=C(C)S1)C1=N[N-]N=N1	REAL300020225722	1	34	-1.0	-51.31	320.45	2.75	-48.56
CC1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020225723	0	37	-1.0	-54.07	300.81	4.57	-49.50
CC1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020225723	1	37	-1.0	-54.07	300.76	4.56	-49.51
COC(=O)C1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225724	0	44	-1.0	-66.51	376.42	6.33	-60.18
COC(=O)C1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225724	1	44	-1.0	-66.51	376.36	6.31	-60.20
COC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225725	0	44	-1.0	-50.60	355.15	5.77	-44.83
COC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225725	1	44	-1.0	-50.58	355.21	5.79	-44.79
COC(=O)C1=CC=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225726	0	41	-1.0	-63.11	341.06	4.88	-58.23
COC(=O)C1=CC=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225726	1	41	-1.0	-63.11	341.12	4.91	-58.20
COC(=O)C1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020225727	0	44	-1.0	-54.29	385.57	4.90	-49.39
COC(=O)C1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020225727	1	44	-1.0	-54.29	385.62	4.92	-49.37
COC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225728	0	41	-1.0	-53.22	342.40	4.95	-48.27
COC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225728	1	41	-1.0	-53.20	342.47	4.96	-48.24
COC(=O)C1=CC=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225729	0	47	-1.0	-58.18	364.01	6.65	-51.53
COC(=O)C1=CC=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225729	1	47	-1.0	-58.19	364.06	6.65	-51.54
CCC1=CC=C(Cl)C(CC)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225730	0	47	-1.0	-40.87	384.88	7.67	-33.20
CCC1=CC=C(Cl)C(CC)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225730	1	47	-1.0	-40.84	384.82	7.64	-33.20
CCC1=CC=C(Cl)C(CC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225731	0	47	-1.0	-41.47	367.46	7.09	-34.38
CCC1=CC=C(Cl)C(CC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225731	1	47	-1.0	-41.46	367.52	7.10	-34.36
CCC1=CC=C(Cl)C(CC)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225732	0	44	-1.0	-53.50	352.66	6.34	-47.16
CCC1=CC=C(Cl)C(CC)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225732	1	44	-1.0	-53.53	352.72	6.36	-47.17
CCC1=CC=C(Cl)C(CC)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020225733	0	47	-1.0	-44.72	394.90	6.12	-38.60
CCC1=CC=C(Cl)C(CC)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020225733	1	47	-1.0	-44.74	394.95	6.13	-38.61
CCC1=CC=C(Cl)C(CC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225734	0	44	-1.0	-42.86	353.51	6.22	-36.64
CCC1=CC=C(Cl)C(CC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225734	1	44	-1.0	-42.79	353.58	6.24	-36.55
CCC1=CC=C(Cl)C(CC)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225735	0	50	-1.0	-47.27	377.79	7.61	-39.66
CCC1=CC=C(Cl)C(CC)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225735	1	50	-1.0	-47.29	377.83	7.61	-39.68
O=C(NC1=CC=C2CCCC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225736	0	42	-1.0	-42.23	348.83	6.66	-35.57
O=C(NC1=CC=C2CCCC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225736	1	42	-1.0	-42.23	348.78	6.64	-35.59
O=C(NC1=CC=C2CCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225737	0	42	-1.0	-43.92	328.42	6.24	-37.68
O=C(NC1=CC=C2CCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225737	1	42	-1.0	-43.98	328.48	6.25	-37.73
CSCC[C@H](NC(=O)NC1=CC=C2CCCC2=C1)C1=N[N-]N=N1	REAL300020225738	0	42	-1.0	-50.47	357.81	5.23	-45.24
CSCC[C@H](NC(=O)NC1=CC=C2CCCC2=C1)C1=NN=N[N-]1	REAL300020225738	1	42	-1.0	-50.46	357.87	5.25	-45.21
O=C(NC1=CC=C2CCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225739	0	45	-1.0	-42.99	342.12	6.36	-36.63
O=C(NC1=CC=C2CCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225739	1	45	-1.0	-42.99	342.12	6.38	-36.61
C[N@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300020225740	0	60	0.0	-67.33	434.40	9.48	-57.85
C[N@@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300020225740	1	60	0.0	-68.75	434.57	9.59	-59.16
C[N@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020225740	1	60	0.0	-67.31	434.46	9.50	-57.81
C[N@@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020225740	1	60	0.0	-68.77	434.63	9.60	-59.17
C[N@H+](CC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCC1	REAL300020225741	0	57	0.0	-68.10	419.73	8.55	-59.55
C[N@@H+](CC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCC1	REAL300020225741	1	57	0.0	-76.25	416.39	8.70	-67.55
C[N@H+](CC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCC1	REAL300020225741	1	57	0.0	-68.07	419.79	8.55	-59.52
C[N@@H+](CC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCC1	REAL300020225741	1	57	0.0	-76.27	416.45	8.71	-67.56
C[N@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020225742	0	57	0.0	-70.32	419.96	8.69	-61.63
C[N@@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020225742	1	57	0.0	-65.95	412.10	8.82	-57.13
C[N@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020225742	1	57	0.0	-70.31	420.04	8.71	-61.60
C[N@@H+](CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020225742	1	57	0.0	-65.91	412.17	8.83	-57.08
CC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020225743	0	41	-1.0	-46.61	357.56	6.80	-39.81
CC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020225743	1	41	-1.0	-46.58	357.50	6.78	-39.80
CC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020225744	0	41	-1.0	-43.42	338.02	6.28	-37.14
CC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020225744	1	41	-1.0	-43.41	338.08	6.30	-37.11
CC1=CC(C)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020225745	0	38	-1.0	-53.11	329.75	5.61	-47.50
CC1=CC(C)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020225745	1	38	-1.0	-53.09	329.81	5.64	-47.45
CSCC[C@H](NC(=O)NC1=C(C)C=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300020225746	0	41	-1.0	-49.78	373.26	5.57	-44.21
CSCC[C@H](NC(=O)NC1=C(C)C=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300020225746	1	41	-1.0	-49.76	373.32	5.58	-44.18
CC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020225747	0	38	-1.0	-45.06	331.10	5.68	-39.38
CC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020225747	1	38	-1.0	-45.06	331.18	5.68	-39.38
CC1=CC(C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020225748	0	44	-1.0	-43.87	331.28	5.85	-38.02
CC1=CC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020225748	1	44	-1.0	-43.89	331.30	5.85	-38.04
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020225749	0	36	-1.0	-47.71	339.04	5.65	-42.06
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020225749	1	36	-1.0	-47.69	338.98	5.62	-42.07
N#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020225750	0	36	-1.0	-44.93	320.25	5.08	-39.85
N#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020225750	1	36	-1.0	-44.94	320.31	5.10	-39.84
N#CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020225751	0	33	-1.0	-49.19	305.01	4.17	-45.02
N#CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020225751	1	33	-1.0	-49.17	305.07	4.19	-44.98
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C(Cl)=C1)C1=N[N-]N=N1	REAL300020225752	0	36	-1.0	-47.13	348.50	4.14	-42.99
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C(Cl)=C1)C1=NN=N[N-]1	REAL300020225752	1	36	-1.0	-47.09	348.56	4.16	-42.93
N#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020225753	0	33	-1.0	-42.59	306.33	4.24	-38.35
N#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020225753	1	33	-1.0	-42.58	306.40	4.24	-38.34
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020225754	0	39	-1.0	-37.01	334.67	5.29	-31.72
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020225754	1	39	-1.0	-37.01	334.72	5.31	-31.70
CCCCCCCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020225755	0	53	-2.0	-94.55	436.72	7.02	-87.53
CCCCCCCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020225755	1	53	-2.0	-94.55	436.78	7.03	-87.52
CCCCCCCCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020225756	0	50	-2.0	-118.08	420.91	5.91	-112.17
CCCCCCCCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020225756	1	50	-2.0	-118.06	420.97	5.92	-112.14
CCCCCCCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020225757	0	50	-2.0	-96.32	421.67	5.95	-90.37
CCCCCCCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020225757	1	50	-2.0	-96.26	421.75	5.97	-90.29
CC1=NN(C2=CC=CC=N2)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225758	0	44	-1.0	-45.17	377.10	7.22	-37.95
CC1=NN(C2=CC=CC=N2)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225758	1	44	-1.0	-45.17	377.04	7.20	-37.97
CC1=NN(C2=CC=CC=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225759	0	44	-1.0	-47.05	357.94	6.75	-40.30
CC1=NN(C2=CC=CC=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225759	1	44	-1.0	-47.05	357.88	6.73	-40.32
CC1=NN(C2=CC=CC=N2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225760	0	41	-1.0	-57.90	342.49	5.83	-52.07
CC1=NN(C2=CC=CC=N2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225760	1	41	-1.0	-57.93	342.43	5.81	-52.12
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C1=CC=CC=N1)C1=NN=N[N-]1	REAL300020225761	0	44	-1.0	-50.53	386.07	5.80	-44.73
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C1=CC=CC=N1)C1=N[N-]N=N1	REAL300020225761	1	44	-1.0	-50.51	386.01	5.78	-44.73
CC1=NN(C2=CC=CC=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225762	0	41	-1.0	-46.40	343.95	5.88	-40.52
CC1=NN(C2=CC=CC=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225762	1	41	-1.0	-46.48	343.88	5.86	-40.62
CC1=NN(C2=CC=CC=N2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225763	0	47	-1.0	-54.73	365.92	7.60	-47.13
CC1=NN(C2=CC=CC=N2)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225763	1	47	-1.0	-54.65	365.87	7.60	-47.05
CC1=NN(C2=NC(C)=CC(C)=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225764	0	49	-1.0	-49.53	395.45	8.53	-41.00
CC1=NN(C2=NC(C)=CC(C)=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225764	1	49	-1.0	-49.51	395.51	8.55	-40.96
CC1=NN(C2=NC(C)=CC(C)=N2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225765	0	46	-1.0	-60.29	380.02	7.61	-52.68
CC1=NN(C2=NC(C)=CC(C)=N2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225765	1	46	-1.0	-60.31	380.08	7.64	-52.67
CC1=NN(C2=NC(C)=CC(C)=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225766	0	46	-1.0	-49.07	381.48	7.66	-41.41
CC1=NN(C2=NC(C)=CC(C)=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225766	1	46	-1.0	-49.09	381.55	7.68	-41.41
CC1=NN(C2=NC(C)=CC(C)=N2)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225767	0	52	-1.0	-58.08	403.47	9.40	-48.68
CC1=NN(C2=NC(C)=CC(C)=N2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225767	1	52	-1.0	-58.08	403.51	9.42	-48.66
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225768	0	48	-1.0	-50.15	401.75	8.39	-41.76
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225768	1	48	-1.0	-50.21	401.69	8.37	-41.84
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225769	0	48	-1.0	-45.37	382.78	7.87	-37.50
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225769	1	48	-1.0	-45.36	382.83	7.89	-37.47
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225770	0	45	-1.0	-55.33	367.31	6.96	-48.37
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225770	1	45	-1.0	-55.35	367.37	6.97	-48.38
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020225771	0	48	-1.0	-47.45	410.91	6.91	-40.54
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020225771	1	48	-1.0	-47.47	410.97	6.93	-40.54
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225772	0	45	-1.0	-44.60	368.77	7.01	-37.59
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225772	1	45	-1.0	-44.60	368.85	7.02	-37.58
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225773	0	51	-1.0	-52.58	390.78	8.74	-43.84
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225773	1	51	-1.0	-52.56	390.81	8.75	-43.81
CC1=NN(C2CCS(=O)(=O)C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225774	0	48	-1.0	-50.82	391.04	2.47	-48.35
CC1=NN(C2CCS(=O)(=O)C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225774	1	48	-1.0	-50.80	391.09	2.49	-48.31
CC1=NN(C2CCS(=O)(=O)C2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225775	0	45	-1.0	-61.21	375.58	1.56	-59.65
CC1=NN(C2CCS(=O)(=O)C2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225775	1	45	-1.0	-61.28	375.64	1.57	-59.71
CC1=NN(C2CCS(=O)(=O)C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225776	0	45	-1.0	-51.56	377.05	1.60	-49.96
CC1=NN(C2CCS(=O)(=O)C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225776	1	45	-1.0	-51.62	377.12	1.62	-50.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C(=O)N1CCCC1	REAL300020225777	0	49	-1.0	-48.74	402.16	6.24	-42.50
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C(=O)N1CCCC1	REAL300020225777	1	49	-1.0	-48.69	402.10	6.22	-42.47
O=C(NC1=CC=CC=C1C(=O)N1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225778	0	49	-1.0	-47.60	381.15	5.74	-41.86
O=C(NC1=CC=CC=C1C(=O)N1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225778	1	49	-1.0	-47.60	381.21	5.76	-41.84
O=C(NC1=CC=CC=C1C(=O)N1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020225779	0	46	-1.0	-57.69	367.46	4.80	-52.89
O=C(NC1=CC=CC=C1C(=O)N1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020225779	1	46	-1.0	-57.63	367.52	4.82	-52.81
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(=O)N1CCCC1)C1=N[N-]N=N1	REAL300020225780	0	49	-1.0	-54.78	409.13	4.83	-49.95
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(=O)N1CCCC1)C1=NN=N[N-]1	REAL300020225780	1	49	-1.0	-54.80	409.19	4.85	-49.95
O=C(NC1=CC=CC=C1C(=O)N1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225781	0	46	-1.0	-47.81	367.17	4.90	-42.91
O=C(NC1=CC=CC=C1C(=O)N1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225781	1	46	-1.0	-47.82	367.24	4.91	-42.91
O=C(NC1=CC=CC=C1C(=O)N1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225782	0	52	-1.0	-57.00	390.69	6.66	-50.34
O=C(NC1=CC=CC=C1C(=O)N1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225782	1	52	-1.0	-57.00	390.73	6.66	-50.34
C[NH+]1CCN(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020225783	0	53	0.0	-67.53	418.06	6.39	-61.14
CN1CCN(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020225783	1	52	-1.0	-50.95	415.20	4.00	-46.95
CN1CCN(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020225783	1	52	-1.0	-50.94	415.26	4.03	-46.91
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020225784	0	53	0.0	-68.35	397.55	6.01	-62.34
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020225784	1	53	0.0	-68.34	397.61	6.03	-62.31
CN1CCN(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020225784	1	52	-1.0	-41.65	396.20	3.52	-38.13
CN1CCN(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020225784	1	52	-1.0	-41.65	396.25	3.54	-38.11
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300020225785	0	50	0.0	-84.81	383.67	5.00	-79.81
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300020225785	1	50	0.0	-84.83	383.73	5.02	-79.81
CN1CCN(C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300020225785	1	49	-1.0	-52.37	373.79	2.90	-49.47
CN1CCN(C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300020225785	1	49	-1.0	-52.37	373.84	2.91	-49.46
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300020225786	0	53	0.0	-68.57	427.22	4.95	-63.62
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300020225786	1	53	0.0	-68.62	427.28	4.96	-63.66
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CCN(C)CC1)C1=N[N-]N=N1	REAL300020225786	1	52	-1.0	-45.85	424.42	2.59	-43.26
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CCN(C)CC1)C1=NN=N[N-]1	REAL300020225786	1	52	-1.0	-45.86	424.48	2.61	-43.25
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020225787	0	50	0.0	-73.27	384.23	5.09	-68.18
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020225787	1	50	0.0	-73.32	384.30	5.11	-68.21
CN1CCN(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020225787	1	49	-1.0	-42.14	382.27	2.66	-39.48
CN1CCN(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020225787	1	49	-1.0	-42.15	382.34	2.68	-39.47
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020225788	0	56	0.0	-52.19	413.02	6.22	-45.97
C[NH+]1CCN(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020225788	1	56	0.0	-52.15	413.07	6.23	-45.92
CN1CCN(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020225788	1	55	-1.0	-49.52	403.46	4.33	-45.19
CN1CCN(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020225788	1	55	-1.0	-49.52	403.49	4.33	-45.19
CNC(=O)C1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225789	0	45	-1.0	-53.89	377.61	3.97	-49.92
CNC(=O)C1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225789	1	45	-1.0	-53.88	377.56	3.95	-49.93
CNC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225790	0	45	-1.0	-54.95	356.82	3.39	-51.56
CNC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225790	1	45	-1.0	-54.97	356.87	3.40	-51.57
CNC(=O)C1=CC=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225791	0	42	-1.0	-68.60	342.73	2.50	-66.10
CNC(=O)C1=CC=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225791	1	42	-1.0	-68.60	342.79	2.52	-66.08
CNC(=O)C1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020225792	0	45	-1.0	-59.28	387.23	2.52	-56.76
CNC(=O)C1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020225792	1	45	-1.0	-59.23	387.29	2.54	-56.69
CNC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225793	0	42	-1.0	-58.16	344.07	2.55	-55.61
CNC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225793	1	42	-1.0	-58.17	344.14	2.57	-55.60
CNC(=O)C1=CC=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225794	0	48	-1.0	-63.11	365.67	4.26	-58.85
CNC(=O)C1=CC=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225794	1	48	-1.0	-63.10	365.73	4.27	-58.83
CCCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225795	0	45	-1.0	-45.17	376.17	5.78	-39.39
CCCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225795	1	45	-1.0	-45.14	376.11	5.75	-39.39
CCCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225796	0	45	-1.0	-43.57	355.76	5.36	-38.21
CCCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225796	1	45	-1.0	-43.56	355.82	5.38	-38.18
CCCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225797	0	42	-1.0	-61.38	341.35	4.42	-56.96
CCCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225797	1	42	-1.0	-61.40	341.41	4.43	-56.97
CCCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020225798	0	45	-1.0	-53.95	385.13	4.35	-49.60
CCCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020225798	1	45	-1.0	-53.92	385.19	4.36	-49.56
CCCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225799	0	42	-1.0	-48.21	343.00	4.44	-43.77
CCCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225799	1	42	-1.0	-48.22	343.07	4.46	-43.76
CCCOC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225800	0	48	-1.0	-43.71	371.38	5.50	-38.21
CCCOC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225800	1	48	-1.0	-43.68	371.43	5.52	-38.16
CCCCOC1=CC=C(OC)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225801	0	52	-1.0	-57.04	425.93	5.96	-51.08
CCCCOC1=CC=C(OC)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225801	1	52	-1.0	-57.10	425.99	5.98	-51.12
CCCCOC1=CC=C(OC)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225802	0	52	-1.0	-46.74	407.35	5.48	-41.26
CCCCOC1=CC=C(OC)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225802	1	52	-1.0	-46.77	407.41	5.49	-41.28
CCCCOC1=CC=C(OC)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225803	0	49	-1.0	-57.51	390.82	4.59	-52.92
CCCCOC1=CC=C(OC)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225803	1	49	-1.0	-57.50	390.88	4.61	-52.89
CCCCOC1=CC=C(OC)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020225804	0	52	-1.0	-51.91	434.35	4.55	-47.36
CCCCOC1=CC=C(OC)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020225804	1	52	-1.0	-51.92	434.40	4.57	-47.35
CCCCOC1=CC=C(OC)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225805	0	49	-1.0	-46.61	392.21	4.65	-41.96
CCCCOC1=CC=C(OC)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225805	1	49	-1.0	-46.62	392.28	4.66	-41.96
CCCCOC1=CC=C(OC)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225806	0	55	-1.0	-53.37	414.84	6.38	-46.99
CCCCOC1=CC=C(OC)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225806	1	55	-1.0	-53.35	414.90	6.38	-46.97
O=C(NC1=CC=C(CN2C(=O)CCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225807	0	48	-1.0	-49.94	392.05	5.46	-44.48
O=C(NC1=CC=C(CN2C(=O)CCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225807	1	48	-1.0	-49.95	392.11	5.47	-44.48
O=C(NC1=CC=C(CN2C(=O)CCC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225808	0	45	-1.0	-60.66	376.90	4.51	-56.15
O=C(NC1=CC=C(CN2C(=O)CCC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225808	1	45	-1.0	-60.64	376.96	4.53	-56.11
O=C(NC1=CC=C(CN2C(=O)CCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225809	0	45	-1.0	-51.07	378.27	4.57	-46.50
O=C(NC1=CC=C(CN2C(=O)CCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225809	1	45	-1.0	-51.09	378.34	4.57	-46.52
O=C(NC1=CC=C(CN2C(=O)CCC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225810	0	51	-1.0	-54.92	400.19	6.35	-48.57
O=C(NC1=CC=C(CN2C(=O)CCC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225810	1	51	-1.0	-54.91	400.24	6.35	-48.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2SCC(=O)NC2=C1	REAL300020225811	0	41	-1.0	-43.46	363.24	3.82	-39.64
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2SCC(=O)NC2=C1	REAL300020225811	1	41	-1.0	-43.46	363.18	3.79	-39.67
O=C(NC1=CC=C2SCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225812	0	41	-1.0	-44.46	343.86	3.34	-41.12
O=C(NC1=CC=C2SCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225812	1	41	-1.0	-44.48	343.91	3.36	-41.12
O=C(NC1=CC=C2SCC(=O)NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225813	0	38	-1.0	-53.67	328.55	2.42	-51.25
O=C(NC1=CC=C2SCC(=O)NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225813	1	38	-1.0	-53.67	328.61	2.43	-51.24
CSCC[C@H](NC(=O)NC1=CC=C2SCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020225814	0	41	-1.0	-48.54	372.07	2.39	-46.15
CSCC[C@H](NC(=O)NC1=CC=C2SCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020225814	1	41	-1.0	-48.56	372.12	2.40	-46.16
O=C(NC1=CC=C2SCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225815	0	38	-1.0	-44.69	330.22	2.46	-42.23
O=C(NC1=CC=C2SCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225815	1	38	-1.0	-44.73	330.29	2.46	-42.27
O=C(NC1=CC=C2SCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225816	0	44	-1.0	-39.47	356.59	3.48	-35.99
O=C(NC1=CC=C2SCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225816	1	44	-1.0	-39.46	356.63	3.48	-35.98
O=C(NC1=CC=C2OC(F)(F)OC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225817	0	38	-1.0	-48.33	342.48	3.93	-44.40
O=C(NC1=CC=C2OC(F)(F)OC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225817	1	38	-1.0	-48.27	342.42	3.90	-44.37
O=C(NC1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225818	0	38	-1.0	-44.80	323.68	3.36	-41.44
O=C(NC1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225818	1	38	-1.0	-44.85	323.74	3.38	-41.47
O=C(NC1=CC=C2OC(F)(F)OC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225819	0	35	-1.0	-58.67	308.11	2.49	-56.18
O=C(NC1=CC=C2OC(F)(F)OC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225819	1	35	-1.0	-58.69	308.17	2.50	-56.19
CSCC[C@H](NC(=O)NC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL300020225820	0	38	-1.0	-47.69	351.95	2.41	-45.28
CSCC[C@H](NC(=O)NC1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL300020225820	1	38	-1.0	-47.69	352.01	2.43	-45.26
O=C(NC1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225821	0	35	-1.0	-46.98	309.80	2.50	-44.48
O=C(NC1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225821	1	35	-1.0	-46.98	309.88	2.51	-44.47
O=C(NC1=CC=C2OC(F)(F)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225822	0	41	-1.0	-37.20	336.18	3.54	-33.66
O=C(NC1=CC=C2OC(F)(F)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225822	1	41	-1.0	-37.23	336.21	3.55	-33.68
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1N1CCCC1=O	REAL300020225823	0	46	-1.0	-48.92	386.92	6.59	-42.33
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1N1CCCC1=O	REAL300020225823	1	46	-1.0	-48.87	386.86	6.56	-42.31
O=C(NC1=CC=CC=C1N1CCCC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225824	0	46	-1.0	-49.85	367.27	6.09	-43.76
O=C(NC1=CC=CC=C1N1CCCC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225824	1	46	-1.0	-49.90	367.33	6.10	-43.80
O=C(NC1=CC=CC=C1N1CCCC1=O)N1CCCC1C1=N[N-]N=N1	REAL300020225825	0	43	-1.0	-62.99	353.38	5.08	-57.91
O=C(NC1=CC=CC=C1N1CCCC1=O)N1CCCC1C1=NN=N[N-]1	REAL300020225825	1	43	-1.0	-62.99	353.44	5.10	-57.89
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CCCC1=O)C1=N[N-]N=N1	REAL300020225826	0	46	-1.0	-53.90	396.15	5.12	-48.78
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CCCC1=O)C1=NN=N[N-]1	REAL300020225826	1	46	-1.0	-53.94	396.20	5.13	-48.81
O=C(NC1=CC=CC=C1N1CCCC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225827	0	43	-1.0	-51.46	353.94	5.21	-46.25
O=C(NC1=CC=CC=C1N1CCCC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225827	1	43	-1.0	-51.49	354.01	5.22	-46.27
O=C(NC1=CC=CC=C1N1CCCC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225828	0	49	-1.0	-51.76	372.53	6.23	-45.53
O=C(NC1=CC=CC=C1N1CCCC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225828	1	49	-1.0	-51.78	372.58	6.23	-45.55
CC1=NC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)=CS1	REAL300020225829	0	44	-1.0	-43.75	387.63	6.22	-37.53
CC1=NC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=CS1	REAL300020225829	1	44	-1.0	-43.74	387.57	6.19	-37.55
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=CS1	REAL300020225830	0	44	-1.0	-47.55	368.74	5.73	-41.82
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=CS1	REAL300020225830	1	44	-1.0	-47.54	368.69	5.71	-41.83
CC1=NC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=CS1	REAL300020225831	0	41	-1.0	-55.74	352.97	4.82	-50.92
CC1=NC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=CS1	REAL300020225831	1	41	-1.0	-55.73	352.91	4.82	-50.91
CSCC[C@H](NC(=O)NC1=CC=C(C2=CSC(C)=N2)C=C1)C1=NN=N[N-]1	REAL300020225832	0	44	-1.0	-48.13	396.80	4.76	-43.37
CSCC[C@H](NC(=O)NC1=CC=C(C2=CSC(C)=N2)C=C1)C1=N[N-]N=N1	REAL300020225832	1	44	-1.0	-48.13	396.74	4.75	-43.38
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=CS1	REAL300020225833	0	41	-1.0	-48.97	354.64	4.85	-44.12
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=CS1	REAL300020225833	1	41	-1.0	-48.95	354.57	4.85	-44.10
CC1=NC(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=CS1	REAL300020225834	0	47	-1.0	-51.28	374.11	6.69	-44.59
CC1=NC(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=CS1	REAL300020225834	1	47	-1.0	-51.29	374.08	6.67	-44.62
CSC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225835	0	39	-1.0	-55.74	343.52	5.78	-49.96
CSC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225835	1	39	-1.0	-55.78	343.46	5.75	-50.03
CSC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225836	0	39	-1.0	-43.59	323.06	5.36	-38.23
CSC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225836	1	39	-1.0	-43.60	323.12	5.38	-38.22
CSC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225837	0	36	-1.0	-56.56	308.75	4.41	-52.15
CSC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225837	1	36	-1.0	-56.61	308.81	4.43	-52.18
CSCC[C@H](NC(=O)NC1=CC=C(SC)C=C1)C1=N[N-]N=N1	REAL300020225838	0	39	-1.0	-45.96	352.24	4.37	-41.59
CSCC[C@H](NC(=O)NC1=CC=C(SC)C=C1)C1=NN=N[N-]1	REAL300020225838	1	39	-1.0	-45.94	352.30	4.39	-41.55
CSC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225839	0	36	-1.0	-43.53	310.38	4.44	-39.09
CSC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225839	1	36	-1.0	-43.57	310.46	4.45	-39.12
CSC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225840	0	42	-1.0	-49.48	332.94	6.31	-43.17
CSC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225840	1	42	-1.0	-49.51	332.99	6.31	-43.20
CS(=O)(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225841	0	41	-1.0	-60.64	363.84	2.31	-58.33
CS(=O)(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225841	1	41	-1.0	-60.66	363.79	2.29	-58.37
CS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225842	0	41	-1.0	-51.07	344.86	1.81	-49.26
CS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225842	1	41	-1.0	-51.08	344.92	1.82	-49.26
CS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225843	0	38	-1.0	-61.77	329.49	0.89	-60.88
CS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225843	1	38	-1.0	-61.79	329.55	0.90	-60.89
CSCC[C@H](NC(=O)NC1=CC=CC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020225844	0	41	-1.0	-55.38	372.72	0.88	-54.50
CSCC[C@H](NC(=O)NC1=CC=CC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020225844	1	41	-1.0	-55.42	372.77	0.90	-54.52
CS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225845	0	38	-1.0	-51.61	330.54	0.96	-50.65
CS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225845	1	38	-1.0	-51.62	330.62	0.97	-50.65
CS(=O)(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225846	0	44	-1.0	-58.20	352.84	2.69	-55.51
CS(=O)(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225846	1	44	-1.0	-58.16	352.90	2.71	-55.45
O=C(NC1=CC(C(F)(F)F)=CC=C1N1C=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020225847	0	42	-1.0	-59.71	359.73	6.25	-53.46
O=C(NC1=CC(C(F)(F)F)=CC=C1N1C=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020225847	1	42	-1.0	-59.69	359.68	6.23	-53.46
O=C(NC1=CC(C(F)(F)F)=CC=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225848	0	42	-1.0	-48.47	362.60	6.37	-42.10
O=C(NC1=CC(C(F)(F)F)=CC=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225848	1	42	-1.0	-48.41	362.53	6.36	-42.05
CC1OC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2NC1=O	REAL300020225849	0	44	-1.0	-58.52	374.37	2.65	-55.87
CC1OC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2NC1=O	REAL300020225849	1	44	-1.0	-58.52	374.31	2.63	-55.89
CC1OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2NC1=O	REAL300020225850	0	44	-1.0	-43.87	353.46	2.33	-41.54
CC1OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2NC1=O	REAL300020225850	1	44	-1.0	-43.91	353.52	2.35	-41.56
CC1OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2NC1=O	REAL300020225851	0	41	-1.0	-55.28	339.82	1.26	-54.02
CC1OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2NC1=O	REAL300020225851	1	41	-1.0	-55.32	339.88	1.27	-54.05
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)C(=O)NC2=C1)C1=N[N-]N=N1	REAL300020225852	0	44	-1.0	-49.35	383.08	1.25	-48.10
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)C(=O)NC2=C1)C1=NN=N[N-]1	REAL300020225852	1	44	-1.0	-49.33	383.13	1.26	-48.07
CC1OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2NC1=O	REAL300020225853	0	41	-1.0	-47.73	340.94	1.34	-46.39
CC1OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2NC1=O	REAL300020225853	1	41	-1.0	-47.71	341.02	1.35	-46.36
CC1OC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2NC1=O	REAL300020225854	0	47	-1.0	-39.55	367.40	2.47	-37.08
CC1OC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2NC1=O	REAL300020225854	1	47	-1.0	-39.53	367.44	2.46	-37.07
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C(=O)NC2CC2)=C1	REAL300020225855	0	46	-1.0	-72.04	391.25	4.78	-67.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C(=O)NC2CC2)=C1	REAL300020225855	1	46	-1.0	-72.05	391.19	4.75	-67.30
O=C(NC1CC1)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225856	0	46	-1.0	-46.96	372.25	4.24	-42.72
O=C(NC1CC1)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225856	1	46	-1.0	-46.93	372.30	4.26	-42.67
O=C(NC1CC1)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225857	0	43	-1.0	-74.25	356.57	3.38	-70.87
O=C(NC1CC1)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225857	1	43	-1.0	-74.32	356.63	3.40	-70.92
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)NC2CC2)=C1)C1=N[N-]N=N1	REAL300020225858	0	46	-1.0	-58.71	400.08	3.34	-55.37
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)NC2CC2)=C1)C1=NN=N[N-]1	REAL300020225858	1	46	-1.0	-58.69	400.14	3.35	-55.34
O=C(NC1CC1)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225859	0	43	-1.0	-57.65	357.94	3.43	-54.22
O=C(NC1CC1)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225859	1	43	-1.0	-57.64	358.02	3.44	-54.20
O=C(NC1CC1)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225860	0	49	-1.0	-48.85	384.61	4.45	-44.40
O=C(NC1CC1)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225860	1	49	-1.0	-48.88	384.65	4.45	-44.43
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1CC1=CC=CC=C1	REAL300020225861	0	52	-1.0	-44.88	412.68	8.16	-36.72
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1CC1=CC=CC=C1	REAL300020225861	1	52	-1.0	-44.90	412.73	8.17	-36.73
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1CC1=CC=CC=C1	REAL300020225862	0	49	-1.0	-56.12	397.45	7.24	-48.88
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1CC1=CC=CC=C1	REAL300020225862	1	49	-1.0	-56.13	397.51	7.26	-48.87
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1CC1=CC=CC=C1	REAL300020225863	0	49	-1.0	-45.51	398.69	7.30	-38.21
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1CC1=CC=CC=C1	REAL300020225863	1	49	-1.0	-45.50	398.76	7.31	-38.19
O=C(NC1=CC=CC=C1OC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225864	0	46	-1.0	-41.74	387.74	7.82	-33.92
O=C(NC1=CC=CC=C1OC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225864	1	46	-1.0	-41.75	387.80	7.84	-33.91
O=C(NC1=CC=CC=C1OC1=CC=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020225865	0	43	-1.0	-50.82	373.44	6.79	-44.03
O=C(NC1=CC=CC=C1OC1=CC=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020225865	1	43	-1.0	-50.84	373.50	6.81	-44.03
O=C(NC1=CC=CC=C1OC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020225866	0	43	-1.0	-42.02	375.11	6.91	-35.11
O=C(NC1=CC=CC=C1OC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020225866	1	43	-1.0	-42.07	375.18	6.92	-35.15
O=C(NC1=CC(Cl)=CC=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225867	0	48	-1.0	-43.21	386.91	4.23	-38.98
O=C(NC1=CC(Cl)=CC=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225867	1	48	-1.0	-43.23	386.96	4.25	-38.98
O=C(NC1=CC(Cl)=CC=C1N1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020225868	0	45	-1.0	-52.31	371.50	3.31	-49.00
O=C(NC1=CC(Cl)=CC=C1N1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020225868	1	45	-1.0	-52.34	371.56	3.34	-49.00
O=C(NC1=CC(Cl)=CC=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225869	0	45	-1.0	-43.02	372.84	3.37	-39.65
O=C(NC1=CC(Cl)=CC=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225869	1	45	-1.0	-43.05	372.92	3.38	-39.67
COC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020225870	0	39	-2.0	-94.14	360.43	3.22	-90.92
COC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020225870	1	39	-2.0	-94.14	360.48	3.24	-90.90
COC(=O)CC1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020225870	1	40	-1.0	-46.05	363.70	4.41	-41.64
COC(=O)CC1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020225870	1	40	-1.0	-46.04	363.75	4.43	-41.61
COC(=O)CC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020225871	0	40	-1.0	-48.21	344.50	3.96	-44.25
COC(=O)CC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020225871	1	40	-1.0	-48.27	344.56	3.98	-44.29
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020225871	1	39	-2.0	-95.70	343.49	3.12	-92.58
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020225871	1	39	-2.0	-95.68	343.54	3.13	-92.55
COC(=O)CC1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020225872	0	37	-1.0	-55.44	329.06	3.03	-52.41
COC(=O)CC1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020225872	1	37	-1.0	-55.44	329.12	3.05	-52.39
COC(=O)CC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020225872	1	36	-2.0	-116.89	327.64	1.99	-114.90
COC(=O)CC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020225872	1	36	-2.0	-116.91	327.70	2.02	-114.89
COC(=O)CC1=CSC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020225873	0	40	-1.0	-49.94	372.68	3.00	-46.94
COC(=O)CC1=CSC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020225873	1	40	-1.0	-49.93	372.73	3.02	-46.91
COC(=O)CC1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020225873	1	39	-2.0	-107.95	369.41	1.81	-106.14
COC(=O)CC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020225874	0	37	-1.0	-46.05	330.53	3.08	-42.97
COC(=O)CC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020225874	1	37	-1.0	-46.03	330.60	3.10	-42.93
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020225874	1	36	-2.0	-96.13	328.44	2.04	-94.09
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020225874	1	36	-2.0	-96.14	328.51	2.06	-94.08
COC(=O)CC1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020225875	0	43	-1.0	-51.77	352.76	4.81	-46.96
COC(=O)CC1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020225875	1	43	-1.0	-51.84	352.81	4.83	-47.01
COC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020225875	1	42	-2.0	-111.47	352.06	4.10	-107.37
COC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020225875	1	42	-2.0	-111.45	352.10	4.12	-107.33
CCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225876	0	41	-1.0	-41.41	341.61	6.50	-34.91
CCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225876	1	41	-1.0	-41.42	341.56	6.47	-34.95
CCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225877	0	41	-1.0	-43.03	322.03	5.87	-37.16
CCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225877	1	41	-1.0	-43.09	322.08	5.88	-37.21
CCC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020225878	0	41	-1.0	-46.35	350.73	5.03	-41.32
CCC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020225878	1	41	-1.0	-46.34	350.79	5.04	-41.30
CCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225879	0	44	-1.0	-50.06	330.35	6.91	-43.15
CCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225879	1	44	-1.0	-50.06	330.40	6.92	-43.14
CCCCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225880	0	44	-2.0	-92.29	389.21	4.79	-87.50
CCCCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225880	1	44	-2.0	-92.27	389.27	4.82	-87.45
CCCCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020225881	0	44	-2.0	-94.49	372.23	4.67	-89.82
CCCCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020225881	1	44	-2.0	-94.51	372.28	4.69	-89.82
CCCCCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020225882	0	41	-2.0	-118.16	356.41	3.57	-114.59
CCCCCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020225882	1	41	-2.0	-118.17	356.47	3.57	-114.60
CCCCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020225883	0	44	-2.0	-107.91	398.20	3.38	-104.53
CCCCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020225883	1	44	-2.0	-107.90	398.26	3.39	-104.51
CCCCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020225884	0	41	-2.0	-96.36	357.18	3.61	-92.75
CCCCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020225884	1	41	-2.0	-96.35	357.25	3.62	-92.73
CCCCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020225885	0	47	-2.0	-114.71	380.84	5.66	-109.05
CCCCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020225885	1	47	-2.0	-114.71	380.89	5.66	-109.05
CC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225886	0	32	-2.0	-92.35	303.31	1.73	-90.62
CC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225886	1	32	-2.0	-92.38	303.25	1.71	-90.67
CSCC[C@H](NC(=O)[N-]C1=NN=C(C)S1)C1=N[N-]N=N1	REAL300020225887	0	32	-2.0	-107.46	312.22	0.29	-107.17
CSCC[C@H](NC(=O)[N-]C1=NN=C(C)S1)C1=NN=N[N-]1	REAL300020225887	1	32	-2.0	-107.43	312.28	0.30	-107.13
CC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020225888	0	35	-2.0	-114.10	294.86	2.57	-111.53
CC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020225888	1	35	-2.0	-114.10	294.91	2.58	-111.52
COC1=CC(OC)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020225889	0	43	-1.0	-57.06	376.21	4.06	-53.00
COC1=CC(OC)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020225889	1	43	-1.0	-57.04	376.15	4.04	-53.00
COC1=CC(OC)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020225890	0	43	-1.0	-45.56	357.27	3.57	-41.99
COC1=CC(OC)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020225890	1	43	-1.0	-45.54	357.33	3.58	-41.96
COC1=CC(OC)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020225891	0	40	-1.0	-56.01	342.00	2.65	-53.36
COC1=CC(OC)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020225891	1	40	-1.0	-55.96	342.06	2.67	-53.29
COC1=CC(OC)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020225892	0	43	-1.0	-50.63	386.34	2.62	-48.01
COC1=CC(OC)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020225892	1	43	-1.0	-50.59	386.39	2.64	-47.95
COC1=CC(OC)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020225893	0	40	-1.0	-46.26	344.18	2.70	-43.56
COC1=CC(OC)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020225893	1	40	-1.0	-46.25	344.25	2.71	-43.54
COC1=CC(OC)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020225894	0	46	-1.0	-52.13	365.98	4.43	-47.70
COC1=CC(OC)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020225894	1	46	-1.0	-52.17	366.04	4.44	-47.73
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OCCC	REAL300020225895	0	55	-1.0	-44.21	429.24	6.95	-37.26
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OCCC	REAL300020225895	1	55	-1.0	-44.24	429.30	6.96	-37.28
CCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OCCC	REAL300020225896	0	52	-1.0	-54.67	413.92	6.03	-48.64
CCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OCCC	REAL300020225896	1	52	-1.0	-54.69	413.97	6.05	-48.64
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCCC	REAL300020225897	0	52	-1.0	-44.60	415.62	6.06	-38.54
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCCC	REAL300020225897	1	52	-1.0	-44.62	415.70	6.07	-38.55
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OCC	REAL300020225898	0	49	-1.0	-43.64	405.64	5.82	-37.82
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OCC	REAL300020225898	1	49	-1.0	-43.63	405.59	5.80	-37.83
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OCC	REAL300020225899	0	49	-1.0	-45.28	386.63	5.30	-39.98
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OCC	REAL300020225899	1	49	-1.0	-45.28	386.69	5.31	-39.97
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OCC	REAL300020225900	0	46	-1.0	-55.16	370.92	4.43	-50.73
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OCC	REAL300020225900	1	46	-1.0	-55.21	370.98	4.45	-50.76
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OCC	REAL300020225901	0	49	-1.0	-48.30	414.46	4.39	-43.91
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OCC	REAL300020225901	1	49	-1.0	-48.37	414.52	4.41	-43.96
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020225902	0	46	-1.0	-45.16	372.63	4.46	-40.70
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020225902	1	46	-1.0	-45.14	372.70	4.47	-40.67
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OCC	REAL300020225903	0	52	-1.0	-43.46	399.00	5.48	-37.98
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OCC	REAL300020225903	1	52	-1.0	-43.47	399.04	5.50	-37.97
CS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020225904	0	41	-1.0	-63.81	363.99	2.28	-61.53
CS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020225904	1	41	-1.0	-63.80	363.93	2.25	-61.55
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020225905	0	41	-1.0	-51.33	344.94	1.80	-49.53
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020225905	1	41	-1.0	-51.43	345.00	1.82	-49.61
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020225906	0	38	-1.0	-62.11	329.42	0.89	-61.22
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020225906	1	38	-1.0	-62.16	329.47	0.91	-61.25
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020225907	0	41	-1.0	-55.76	372.95	0.86	-54.90
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020225907	1	41	-1.0	-55.72	373.01	0.87	-54.85
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020225908	0	38	-1.0	-52.43	330.81	0.94	-51.49
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020225908	1	38	-1.0	-52.40	330.88	0.95	-51.45
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020225909	0	44	-1.0	-52.58	352.72	2.72	-49.86
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020225909	1	44	-1.0	-52.58	352.77	2.73	-49.85
O=C(NC1=CC=C(Br)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225910	0	35	-1.0	-39.32	320.08	5.54	-33.78
O=C(NC1=CC=C(Br)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225910	1	35	-1.0	-39.26	320.13	5.56	-33.70
O=C(NC1=CC=C(Br)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020225911	0	32	-1.0	-48.02	304.76	4.63	-43.39
O=C(NC1=CC=C(Br)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020225911	1	32	-1.0	-48.05	304.82	4.65	-43.40
O=C(NC1=CC=C(Br)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020225912	0	32	-1.0	-39.42	306.11	4.68	-34.74
O=C(NC1=CC=C(Br)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020225912	1	32	-1.0	-39.46	306.19	4.70	-34.76
O=C(NC1=CC=C(Br)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020225913	0	38	-1.0	-44.65	327.68	6.53	-38.12
O=C(NC1=CC=C(Br)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020225913	1	38	-1.0	-44.70	327.73	6.53	-38.17
CC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225914	0	38	-1.0	-43.70	328.02	5.79	-37.91
CC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225914	1	38	-1.0	-43.76	327.97	5.76	-38.00
CC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225915	0	38	-1.0	-42.46	308.99	5.27	-37.19
CC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225915	1	38	-1.0	-42.47	309.04	5.28	-37.19
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1C)C1=N[N-]N=N1	REAL300020225916	0	38	-1.0	-44.96	337.21	4.32	-40.64
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1C)C1=NN=N[N-]1	REAL300020225916	1	38	-1.0	-45.00	337.27	4.33	-40.67
CC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225917	0	41	-1.0	-48.83	316.51	6.20	-42.63
CC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225917	1	41	-1.0	-48.84	316.57	6.20	-42.64
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=C1	REAL300020225918	0	49	-1.0	-44.79	394.23	7.79	-37.00
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=C1	REAL300020225918	1	49	-1.0	-44.86	394.29	7.80	-37.06
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=C1	REAL300020225919	0	46	-1.0	-54.70	378.40	6.90	-47.80
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=C1	REAL300020225919	1	46	-1.0	-54.74	378.46	6.92	-47.82
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC(C)=C2)C=C1)C1=N[N-]N=N1	REAL300020225920	0	49	-1.0	-48.95	422.26	6.87	-42.08
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC(C)=C2)C=C1)C1=NN=N[N-]1	REAL300020225920	1	49	-1.0	-48.99	422.31	6.88	-42.11
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020225921	0	46	-1.0	-45.05	379.92	6.95	-38.10
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020225921	1	46	-1.0	-45.05	379.99	6.96	-38.09
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=C1	REAL300020225922	0	52	-1.0	-50.17	403.59	8.76	-41.41
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=C1	REAL300020225922	1	52	-1.0	-50.23	403.65	8.76	-41.47
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OCC(F)(F)F	REAL300020225923	0	43	-1.0	-55.89	368.64	3.97	-51.92
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OCC(F)(F)F	REAL300020225923	1	43	-1.0	-55.92	368.70	3.99	-51.93
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC(F)(F)F	REAL300020225924	0	43	-1.0	-46.50	370.34	4.00	-42.50
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC(F)(F)F	REAL300020225924	1	43	-1.0	-46.52	370.42	4.01	-42.51
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OCC1=CC=NC=C1	REAL300020225925	0	49	-1.0	-57.31	403.85	4.79	-52.52
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OCC1=CC=NC=C1	REAL300020225925	1	49	-1.0	-57.34	403.91	4.81	-52.53
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC1=CC=NC=C1	REAL300020225926	0	49	-1.0	-47.78	405.51	4.82	-42.96
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC1=CC=NC=C1	REAL300020225926	1	49	-1.0	-47.83	405.59	4.83	-43.00
CC1=NN(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020225927	0	48	-1.0	-46.90	401.15	7.54	-39.36
CC1=NN(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020225927	1	48	-1.0	-46.91	401.10	7.51	-39.40
CC1=NN(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020225928	0	48	-1.0	-45.80	382.25	7.00	-38.80
CC1=NN(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020225928	1	48	-1.0	-45.78	382.31	7.01	-38.77
CC1=NN(C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020225929	0	45	-1.0	-58.55	366.29	6.09	-52.46
CC1=NN(C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020225929	1	45	-1.0	-58.54	366.35	6.12	-52.42
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1N=C(C)C=C1C)C1=N[N-]N=N1	REAL300020225930	0	48	-1.0	-52.17	410.51	6.07	-46.10
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1N=C(C)C=C1C)C1=NN=N[N-]1	REAL300020225930	1	48	-1.0	-52.21	410.57	6.08	-46.13
CC1=NN(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020225931	0	45	-1.0	-46.61	368.36	6.18	-40.43
CC1=NN(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020225931	1	45	-1.0	-46.62	368.44	6.19	-40.43
CC1=CC(C)=NN1C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225932	0	51	-1.0	-51.76	389.93	7.86	-43.90
CC1=CC(C)=NN1C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225932	1	51	-1.0	-51.76	389.99	7.86	-43.90
CC1CC(C)CN(C(=O)C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300020225933	0	55	-1.0	-60.07	419.24	7.00	-53.07
CC1CC(C)CN(C(=O)C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300020225933	1	55	-1.0	-60.11	419.30	7.01	-53.10
CC1CC(C)CN(C(=O)C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020225934	0	55	-1.0	-47.77	420.73	7.04	-40.73
CC1CC(C)CN(C(=O)C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020225934	1	55	-1.0	-47.78	420.81	7.06	-40.72
COC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225935	0	39	-1.0	-40.55	337.14	4.28	-36.27
COC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225935	1	39	-1.0	-40.55	337.09	4.25	-36.30
COC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225936	0	39	-1.0	-41.81	319.04	3.77	-38.04
COC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225936	1	39	-1.0	-41.86	319.10	3.79	-38.07
COC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020225937	0	36	-1.0	-51.86	303.73	2.85	-49.01
COC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020225937	1	36	-1.0	-51.90	303.78	2.87	-49.03
COC1=CC(F)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020225938	0	39	-1.0	-45.29	347.27	2.82	-42.47
COC1=CC(F)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020225938	1	39	-1.0	-45.29	347.32	2.83	-42.46
COC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020225939	0	36	-1.0	-41.92	304.31	2.92	-39.00
COC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020225939	1	36	-1.0	-41.95	304.38	2.93	-39.02
COC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020225940	0	42	-1.0	-40.20	330.51	4.02	-36.18
COC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020225940	1	42	-1.0	-40.19	330.55	4.02	-36.17
O=C(NC1=CC(N2CCCC2=O)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225941	0	46	-1.0	-44.19	376.47	6.04	-38.15
O=C(NC1=CC(N2CCCC2=O)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225941	1	46	-1.0	-44.24	376.53	6.05	-38.19
O=C(NC1=CC(N2CCCC2=O)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020225942	0	43	-1.0	-51.50	361.25	5.15	-46.35
O=C(NC1=CC(N2CCCC2=O)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020225942	1	43	-1.0	-51.50	361.31	5.18	-46.32
O=C(NC1=CC(N2CCCC2=O)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020225943	0	43	-1.0	-44.32	362.58	5.21	-39.11
O=C(NC1=CC(N2CCCC2=O)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020225943	1	43	-1.0	-44.34	362.65	5.22	-39.12
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1N1C=NN=N1	REAL300020225944	0	43	-1.0	-54.29	367.03	5.64	-48.65
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1N1C=NN=N1	REAL300020225944	1	43	-1.0	-54.29	366.97	5.62	-48.67
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N1C=NN=N1	REAL300020225945	0	43	-1.0	-47.38	348.33	5.19	-42.19
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N1C=NN=N1	REAL300020225945	1	43	-1.0	-47.43	348.27	5.17	-42.26
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N1C=NN=N1	REAL300020225946	0	40	-1.0	-53.60	332.04	4.31	-49.29
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N1C=NN=N1	REAL300020225946	1	40	-1.0	-53.62	331.98	4.29	-49.33
CSCC[C@H](NC(=O)NC1=CC=C(N2C=NN=N2)C(C)=C1)C1=NN=N[N-]1	REAL300020225947	0	43	-1.0	-48.01	376.38	4.24	-43.77
CSCC[C@H](NC(=O)NC1=CC=C(N2C=NN=N2)C(C)=C1)C1=N[N-]N=N1	REAL300020225947	1	43	-1.0	-48.03	376.32	4.23	-43.80
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1C=NN=N1	REAL300020225948	0	40	-1.0	-46.44	333.57	4.35	-42.09
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1C=NN=N1	REAL300020225948	1	40	-1.0	-46.42	333.49	4.34	-42.08
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1C=NN=N1	REAL300020225949	0	46	-1.0	-38.60	362.15	5.52	-33.08
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1C=NN=N1	REAL300020225949	1	46	-1.0	-42.62	362.11	5.50	-37.12
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1N1C=NN=N1	REAL300020225950	0	43	-1.0	-48.57	367.07	5.72	-42.85
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1N1C=NN=N1	REAL300020225950	1	43	-1.0	-48.56	367.01	5.70	-42.86
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1N1C=NN=N1	REAL300020225951	0	43	-1.0	-48.55	352.69	5.50	-43.05
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1N1C=NN=N1	REAL300020225951	1	43	-1.0	-48.56	352.64	5.48	-43.08
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1N1C=NN=N1	REAL300020225952	0	40	-1.0	-54.11	332.79	4.28	-49.83
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1N1C=NN=N1	REAL300020225952	1	40	-1.0	-54.08	332.74	4.27	-49.81
CSCC[C@H](NC(=O)NC1=CC=C(C)C(N2C=NN=N2)=C1)C1=NN=N[N-]1	REAL300020225953	0	43	-1.0	-48.33	380.93	4.56	-43.77
CSCC[C@H](NC(=O)NC1=CC=C(C)C(N2C=NN=N2)=C1)C1=N[N-]N=N1	REAL300020225953	1	43	-1.0	-48.32	380.88	4.54	-43.78
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1C=NN=N1	REAL300020225954	0	40	-1.0	-47.50	339.86	4.58	-42.92
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1C=NN=N1	REAL300020225954	1	40	-1.0	-47.46	339.78	4.58	-42.88
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1N1C=NN=N1	REAL300020225955	0	46	-1.0	-38.57	367.57	5.61	-32.96
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1N1C=NN=N1	REAL300020225955	1	46	-1.0	-38.57	367.52	5.59	-32.98
CC(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(C)C)=C1	REAL300020225956	0	53	-1.0	-41.10	419.10	8.82	-32.28
CC(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(C)C)=C1	REAL300020225956	1	53	-1.0	-41.06	419.05	8.79	-32.27
CC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(C)C)=C1	REAL300020225957	0	53	-1.0	-43.54	400.06	8.33	-35.21
CC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(C)C)=C1	REAL300020225957	1	53	-1.0	-43.56	400.11	8.34	-35.22
CC(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(C)C)=C1	REAL300020225958	0	50	-1.0	-55.59	385.70	7.46	-48.13
CC(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(C)C)=C1	REAL300020225958	1	50	-1.0	-55.58	385.76	7.49	-48.09
CSCC[C@H](NC(=O)NC1=CC=C(C(C)C)C=C1C(C)C)C1=N[N-]N=N1	REAL300020225959	0	53	-1.0	-47.85	429.24	7.44	-40.41
CSCC[C@H](NC(=O)NC1=CC=C(C(C)C)C=C1C(C)C)C1=NN=N[N-]1	REAL300020225959	1	53	-1.0	-47.86	429.30	7.46	-40.40
CC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(C)C)=C1	REAL300020225960	0	50	-1.0	-43.49	386.00	7.47	-36.02
CC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(C)C)=C1	REAL300020225960	1	50	-1.0	-43.46	386.07	7.48	-35.98
CC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(C)C)=C1	REAL300020225961	0	56	-1.0	-50.70	408.45	9.31	-41.39
CC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(C)C)=C1	REAL300020225961	1	56	-1.0	-50.69	408.50	9.31	-41.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(CN2C=CC=N2)=C1	REAL300020225962	0	45	-1.0	-56.37	386.95	6.45	-49.92
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(CN2C=CC=N2)=C1	REAL300020225962	1	45	-1.0	-56.37	386.89	6.43	-49.94
O=C(NC1=CC=CC(CN2C=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225963	0	45	-1.0	-48.23	368.02	5.93	-42.30
O=C(NC1=CC=CC(CN2C=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225963	1	45	-1.0	-48.21	367.96	5.92	-42.29
O=C(NC1=CC=CC(CN2C=CC=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225964	0	42	-1.0	-56.58	352.65	5.03	-51.55
O=C(NC1=CC=CC(CN2C=CC=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225964	1	42	-1.0	-56.61	352.59	5.02	-51.59
CSCC[C@H](NC(=O)NC1=CC=CC(CN2C=CC=N2)=C1)C1=NN=N[N-]1	REAL300020225965	0	45	-1.0	-53.01	396.15	4.99	-48.02
CSCC[C@H](NC(=O)NC1=CC=CC(CN2C=CC=N2)=C1)C1=N[N-]N=N1	REAL300020225965	1	45	-1.0	-53.00	396.10	4.98	-48.02
O=C(NC1=CC=CC(CN2C=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225966	0	42	-1.0	-47.82	353.99	5.08	-42.74
O=C(NC1=CC=CC(CN2C=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225966	1	42	-1.0	-47.80	353.92	5.07	-42.73
O=C(NC1=CC=CC(CN2C=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225967	0	48	-1.0	-43.54	382.38	6.15	-37.39
O=C(NC1=CC=CC(CN2C=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225967	1	48	-1.0	-43.50	382.32	6.12	-37.38
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(CN2C=CN=C2)=C1	REAL300020225968	0	45	-1.0	-56.44	386.39	8.04	-48.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(CN2C=CN=C2)=C1	REAL300020225968	1	45	-1.0	-56.46	386.44	8.06	-48.40
O=C(NC1=CC=CC(CN2C=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225969	0	45	-1.0	-49.72	367.45	7.53	-42.19
O=C(NC1=CC=CC(CN2C=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225969	1	45	-1.0	-49.71	367.51	7.54	-42.17
O=C(NC1=CC=CC(CN2C=CN=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225970	0	42	-1.0	-59.44	352.05	6.63	-52.81
O=C(NC1=CC=CC(CN2C=CN=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225970	1	42	-1.0	-59.45	352.11	6.65	-52.80
CSCC[C@H](NC(=O)NC1=CC=CC(CN2C=CN=C2)=C1)C1=N[N-]N=N1	REAL300020225971	0	45	-1.0	-52.99	395.58	6.59	-46.40
CSCC[C@H](NC(=O)NC1=CC=CC(CN2C=CN=C2)=C1)C1=NN=N[N-]1	REAL300020225971	1	45	-1.0	-52.96	395.64	6.61	-46.35
O=C(NC1=CC=CC(CN2C=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225972	0	42	-1.0	-49.36	353.42	6.69	-42.67
O=C(NC1=CC=CC(CN2C=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225972	1	42	-1.0	-49.34	353.49	6.69	-42.65
O=C(NC1=CC=CC(CN2C=CN=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225973	0	48	-1.0	-44.60	381.82	7.73	-36.87
O=C(NC1=CC=CC(CN2C=CN=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225973	1	48	-1.0	-44.63	381.87	7.76	-36.87
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(CN2CCCC2=O)=C1	REAL300020225974	0	49	-1.0	-57.57	410.60	6.56	-51.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(CN2CCCC2=O)=C1	REAL300020225974	1	49	-1.0	-57.56	410.54	6.54	-51.02
O=C(NC1=CC(CN2CCCC2=O)=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225975	0	49	-1.0	-46.58	391.63	6.07	-40.51
O=C(NC1=CC(CN2CCCC2=O)=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225975	1	49	-1.0	-46.62	391.68	6.08	-40.54
O=C(NC1=CC(CN2CCCC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020225976	0	46	-1.0	-59.93	376.24	5.14	-54.79
O=C(NC1=CC(CN2CCCC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020225976	1	46	-1.0	-59.95	376.30	5.15	-54.80
CSCC[C@H](NC(=O)NC1=CC=CC(CN2CCCC2=O)=C1)C1=N[N-]N=N1	REAL300020225977	0	49	-1.0	-53.85	419.47	5.13	-48.72
CSCC[C@H](NC(=O)NC1=CC=CC(CN2CCCC2=O)=C1)C1=NN=N[N-]1	REAL300020225977	1	49	-1.0	-53.85	419.52	5.15	-48.70
O=C(NC1=CC(CN2CCCC2=O)=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225978	0	46	-1.0	-50.30	377.56	5.19	-45.11
O=C(NC1=CC(CN2CCCC2=O)=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225978	1	46	-1.0	-50.34	377.63	5.20	-45.14
O=C(NC1=CC(CN2CCCC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225979	0	52	-1.0	-55.83	399.59	6.95	-48.88
O=C(NC1=CC(CN2CCCC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225979	1	52	-1.0	-55.85	399.65	6.96	-48.89
COCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225980	0	42	-1.0	-53.54	358.23	4.52	-49.02
COCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225980	1	42	-1.0	-53.54	358.17	4.50	-49.04
COCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020225981	0	42	-1.0	-47.13	339.26	4.01	-43.12
COCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020225981	1	42	-1.0	-47.13	339.32	4.03	-43.10
COCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020225982	0	39	-1.0	-53.07	323.87	3.10	-49.97
COCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020225982	1	39	-1.0	-53.01	323.93	3.11	-49.90
COCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020225983	0	42	-1.0	-46.47	367.10	3.09	-43.38
COCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020225983	1	42	-1.0	-46.51	367.15	3.11	-43.40
COCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020225984	0	39	-1.0	-44.09	324.92	3.17	-40.92
COCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020225984	1	39	-1.0	-44.08	324.99	3.18	-40.90
COCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225985	0	45	-1.0	-48.92	347.23	4.90	-44.02
COCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225985	1	45	-1.0	-48.93	347.28	4.92	-44.01
COCCOC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1OC	REAL300020225986	0	50	-1.0	-46.14	417.36	4.18	-41.96
COCCOC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1OC	REAL300020225986	1	50	-1.0	-46.18	417.41	4.21	-41.97
COCCOC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC	REAL300020225987	0	50	-1.0	-47.56	398.40	3.68	-43.88
COCCOC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC	REAL300020225987	1	50	-1.0	-47.61	398.46	3.70	-43.91
COCCOC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC	REAL300020225988	0	47	-1.0	-57.81	382.69	2.82	-54.99
COCCOC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC	REAL300020225988	1	47	-1.0	-57.85	382.75	2.83	-55.02
COCCOC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OC	REAL300020225989	0	50	-1.0	-50.71	426.24	2.78	-47.93
COCCOC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OC	REAL300020225989	1	50	-1.0	-50.70	426.29	2.79	-47.91
COCCOC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC	REAL300020225990	0	47	-1.0	-47.79	384.08	2.88	-44.91
COCCOC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC	REAL300020225990	1	47	-1.0	-47.78	384.15	2.88	-44.90
COCCOC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC	REAL300020225991	0	53	-1.0	-44.26	410.78	3.87	-40.39
COCCOC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC	REAL300020225991	1	53	-1.0	-44.28	410.82	3.87	-40.41
CCOC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C=C1	REAL300020225992	0	50	-1.0	-54.62	408.33	6.44	-48.18
CCOC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C=C1	REAL300020225992	1	50	-1.0	-54.61	408.39	6.45	-48.16
CCOC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020225993	0	50	-1.0	-45.21	409.88	6.49	-38.72
CCOC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020225993	1	50	-1.0	-45.18	409.95	6.50	-38.68
CC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020225994	0	38	-1.0	-43.61	325.37	4.06	-39.55
CC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020225994	1	38	-1.0	-43.63	325.31	4.04	-39.59
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C)C1=N[N-]N=N1	REAL300020225995	0	38	-1.0	-47.90	334.30	2.62	-45.28
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C)C1=NN=N[N-]1	REAL300020225995	1	38	-1.0	-47.89	334.36	2.64	-45.25
CC1=NN(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020225996	0	41	-1.0	-51.17	314.12	4.45	-46.72
CC1=NN(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020225996	1	41	-1.0	-51.24	314.16	4.45	-46.79
O=C(NC1=CC=C2C(=C1)CC1=CC=CC=C12)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225997	0	46	-1.0	-43.87	387.54	8.88	-34.99
O=C(NC1=CC=C2C(=C1)CC1=CC=CC=C12)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225997	1	46	-1.0	-43.87	387.48	8.86	-35.01
O=C(NC1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225998	0	46	-1.0	-45.93	368.27	8.40	-37.53
O=C(NC1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225998	1	46	-1.0	-45.97	368.33	8.41	-37.56
O=C(NC1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300020225999	0	43	-1.0	-55.55	353.01	7.47	-48.08
O=C(NC1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300020225999	1	43	-1.0	-55.53	353.06	7.49	-48.04
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CC1=CC=CC=C12)C1=N[N-]N=N1	REAL300020226000	0	46	-1.0	-48.61	396.25	7.48	-41.13
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CC1=CC=CC=C12)C1=NN=N[N-]1	REAL300020226000	1	46	-1.0	-48.62	396.30	7.50	-41.12
O=C(NC1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020226001	0	43	-1.0	-45.85	354.08	7.57	-38.28
O=C(NC1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020226001	1	43	-1.0	-45.88	354.15	7.57	-38.31
O=C(NC1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020226002	0	49	-1.0	-43.93	380.79	8.58	-35.35
O=C(NC1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020226002	1	49	-1.0	-43.93	380.79	8.59	-35.34
CCOC1=CC=C(OC2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226003	0	50	-1.0	-53.45	409.03	6.53	-46.92
CCOC1=CC=C(OC2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226003	1	50	-1.0	-53.37	409.09	6.56	-46.81
CCOC1=CC=C(OC2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226004	0	50	-1.0	-43.86	408.17	6.57	-37.29
CCOC1=CC=C(OC2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226004	1	50	-1.0	-43.91	408.24	6.59	-37.32
CC1=CC=C(SC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C(C)=C1	REAL300020226005	0	49	-1.0	-54.92	408.29	8.71	-46.21
CC1=CC=C(SC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C(C)=C1	REAL300020226005	1	49	-1.0	-54.90	408.35	8.73	-46.17
CC1=CC=C(SC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C(C)=C1	REAL300020226006	0	49	-1.0	-45.09	408.19	8.69	-36.40
CC1=CC=C(SC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C(C)=C1	REAL300020226006	1	49	-1.0	-45.04	408.26	8.70	-36.34
CC1=CC=CC(OC2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226007	0	49	-1.0	-43.77	392.44	7.89	-35.88
CC1=CC=CC(OC2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226007	1	49	-1.0	-43.76	392.50	7.91	-35.85
CC1=CC=CC(OC2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020226008	0	46	-1.0	-53.62	379.07	6.99	-46.63
CC1=CC=CC(OC2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020226008	1	46	-1.0	-53.63	379.13	7.01	-46.62
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020226009	0	49	-1.0	-46.90	422.61	7.00	-39.90
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020226009	1	49	-1.0	-46.90	422.66	7.01	-39.89
CC1=CC=CC(OC2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020226010	0	46	-1.0	-43.52	378.92	7.10	-36.42
CC1=CC=CC(OC2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020226010	1	46	-1.0	-43.52	379.00	7.11	-36.41
CC1=CC=CC(OC2=CC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226011	0	52	-1.0	-48.34	400.77	8.84	-39.50
CC1=CC=CC(OC2=CC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226011	1	52	-1.0	-48.35	400.80	8.87	-39.48
CC1=CC=C(C)C(SC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=C1	REAL300020226012	0	49	-1.0	-54.36	408.85	8.74	-45.62
CC1=CC=C(C)C(SC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=C1	REAL300020226012	1	49	-1.0	-54.36	408.91	8.76	-45.60
CC1=CC=C(C)C(SC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020226013	0	49	-1.0	-44.83	410.40	8.80	-36.03
CC1=CC=C(C)C(SC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020226013	1	49	-1.0	-44.81	410.48	8.80	-36.01
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N1CC[NH+](C)CC1	REAL300020226014	0	56	0.0	-67.81	418.64	6.79	-61.02
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N1CC[NH+](C)CC1	REAL300020226014	1	56	0.0	-67.79	418.69	6.80	-60.99
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N1CCN(C)CC1	REAL300020226014	1	55	-1.0	-43.47	417.34	4.34	-39.13
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N1CCN(C)CC1	REAL300020226014	1	55	-1.0	-43.47	417.40	4.36	-39.11
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N1CC[NH+](C)CC1	REAL300020226015	0	53	0.0	-75.80	404.41	5.86	-69.94
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N1CC[NH+](C)CC1	REAL300020226015	1	53	0.0	-75.80	404.47	5.88	-69.92
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N1CCN(C)CC1	REAL300020226015	1	52	-1.0	-53.47	401.87	3.46	-50.01
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N1CCN(C)CC1	REAL300020226015	1	52	-1.0	-53.50	401.93	3.47	-50.03
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1CC[NH+](C)CC1	REAL300020226016	0	53	0.0	-68.72	405.76	5.91	-62.81
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CC[NH+](C)CC1	REAL300020226016	1	53	0.0	-68.68	405.84	5.92	-62.76
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1CCN(C)CC1	REAL300020226016	1	52	-1.0	-43.99	403.26	3.50	-40.49
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCN(C)CC1	REAL300020226016	1	52	-1.0	-43.95	403.33	3.52	-40.43
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1CC[NH+](C)CC1	REAL300020226017	0	59	0.0	-63.99	434.45	6.93	-57.06
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1CC[NH+](C)CC1	REAL300020226017	1	59	0.0	-63.96	434.48	6.95	-57.01
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1CCN(C)CC1	REAL300020226017	1	58	-1.0	-41.56	429.67	4.55	-37.01
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1CCN(C)CC1	REAL300020226017	1	58	-1.0	-41.57	429.71	4.56	-37.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Br)C=C1F	REAL300020226018	0	35	-1.0	-40.51	329.99	5.53	-34.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Br)C=C1F	REAL300020226018	1	35	-1.0	-40.56	330.05	5.56	-35.00
O=C(NC1=CC=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226019	0	35	-1.0	-40.06	310.32	5.03	-35.03
O=C(NC1=CC=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226019	1	35	-1.0	-40.08	310.37	5.05	-35.03
O=C(NC1=CC=C(Br)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020226020	0	32	-1.0	-47.82	294.90	4.11	-43.71
O=C(NC1=CC=C(Br)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020226020	1	32	-1.0	-47.83	294.95	4.14	-43.69
CSCC[C@H](NC(=O)NC1=CC=C(Br)C=C1F)C1=N[N-]N=N1	REAL300020226021	0	35	-1.0	-42.16	338.41	4.07	-38.09
CSCC[C@H](NC(=O)NC1=CC=C(Br)C=C1F)C1=NN=N[N-]1	REAL300020226021	1	35	-1.0	-42.14	338.47	4.09	-38.05
O=C(NC1=CC=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020226022	0	32	-1.0	-39.74	297.06	4.15	-35.59
O=C(NC1=CC=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020226022	1	32	-1.0	-39.77	297.14	4.17	-35.60
O=C(NC1=CC=C(Br)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020226023	0	38	-1.0	-44.85	318.70	6.02	-38.83
O=C(NC1=CC=C(Br)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020226023	1	38	-1.0	-44.84	318.75	6.02	-38.82
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Br	REAL300020226024	0	38	-1.0	-52.81	342.64	5.99	-46.82
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Br	REAL300020226024	1	38	-1.0	-52.79	342.58	5.96	-46.83
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Br	REAL300020226025	0	38	-1.0	-42.49	323.71	5.46	-37.03
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Br	REAL300020226025	1	38	-1.0	-42.45	323.77	5.47	-36.98
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Br	REAL300020226026	0	35	-1.0	-51.24	308.24	4.57	-46.67
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Br	REAL300020226026	1	35	-1.0	-51.26	308.30	4.58	-46.68
CSCC[C@H](NC(=O)NC1=CC=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL300020226027	0	38	-1.0	-46.79	351.76	4.52	-42.27
CSCC[C@H](NC(=O)NC1=CC=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL300020226027	1	38	-1.0	-46.79	351.82	4.53	-42.26
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020226028	0	35	-1.0	-42.99	309.61	4.61	-38.38
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020226028	1	35	-1.0	-43.03	309.68	4.63	-38.40
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Br	REAL300020226029	0	41	-1.0	-38.82	338.02	5.66	-33.16
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Br	REAL300020226029	1	41	-1.0	-38.80	338.07	5.68	-33.12
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C=C1Cl	REAL300020226030	0	35	-1.0	-38.47	323.21	5.48	-32.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C=C1Cl	REAL300020226030	1	35	-1.0	-38.42	323.15	5.46	-32.96
O=C(NC1=CC=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226031	0	35	-1.0	-39.93	304.42	4.99	-34.94
O=C(NC1=CC=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226031	1	35	-1.0	-39.92	304.47	5.01	-34.91
O=C(NC1=CC=C(F)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020226032	0	32	-1.0	-48.16	289.88	4.08	-44.08
O=C(NC1=CC=C(F)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020226032	1	32	-1.0	-48.17	289.94	4.11	-44.06
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1Cl)C1=N[N-]N=N1	REAL300020226033	0	35	-1.0	-42.02	333.42	4.06	-37.96
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1Cl)C1=NN=N[N-]1	REAL300020226033	1	35	-1.0	-41.96	333.48	4.08	-37.88
O=C(NC1=CC=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020226034	0	32	-1.0	-39.60	291.24	4.14	-35.46
O=C(NC1=CC=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020226034	1	32	-1.0	-39.62	291.31	4.15	-35.47
O=C(NC1=CC=C(F)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020226035	0	38	-1.0	-44.76	312.80	5.98	-38.78
O=C(NC1=CC=C(F)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020226035	1	38	-1.0	-44.81	312.85	5.98	-38.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(Cl)=C1Cl	REAL300020226036	0	35	-1.0	-39.24	331.94	5.88	-33.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(Cl)=C1Cl	REAL300020226036	1	35	-1.0	-39.24	331.89	5.86	-33.38
O=C(NC1=CC=CC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226037	0	35	-1.0	-40.26	313.94	5.40	-34.86
O=C(NC1=CC=CC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226037	1	35	-1.0	-40.27	314.00	5.42	-34.85
O=C(NC1=CC=CC(Cl)=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020226038	0	32	-1.0	-48.44	297.76	4.47	-43.97
O=C(NC1=CC=CC(Cl)=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020226038	1	32	-1.0	-48.40	297.82	4.49	-43.91
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020226039	0	35	-1.0	-42.39	342.16	4.45	-37.94
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300020226039	1	35	-1.0	-42.43	342.22	4.47	-37.96
O=C(NC1=CC=CC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020226040	0	32	-1.0	-40.36	300.02	4.54	-35.82
O=C(NC1=CC=CC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020226040	1	32	-1.0	-40.36	300.09	4.55	-35.81
O=C(NC1=CC=CC(Cl)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020226041	0	38	-1.0	-44.96	321.87	6.27	-38.69
O=C(NC1=CC=CC(Cl)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020226041	1	38	-1.0	-44.96	321.94	6.28	-38.68
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(F)C=CC=C1F	REAL300020226042	0	35	-1.0	-44.57	314.26	4.96	-39.61
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(F)C=CC=C1F	REAL300020226042	1	35	-1.0	-44.58	314.20	4.93	-39.65
O=C(NC1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226043	0	35	-1.0	-45.89	295.37	4.43	-41.46
O=C(NC1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226043	1	35	-1.0	-45.89	295.43	4.44	-41.45
CSCC[C@H](NC(=O)NC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020226044	0	35	-1.0	-50.93	329.06	3.61	-47.32
CSCC[C@H](NC(=O)NC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020226044	1	35	-1.0	-50.92	329.12	3.62	-47.30
O=C(NC1=C(F)C=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020226045	0	38	-1.0	-50.73	302.49	5.21	-45.52
O=C(NC1=C(F)C=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020226045	1	38	-1.0	-50.74	302.55	5.22	-45.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C(F)=C1	REAL300020226046	0	35	-1.0	-57.95	316.03	4.88	-53.07
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C(F)=C1	REAL300020226046	1	35	-1.0	-58.00	315.97	4.85	-53.15
O=C(NC1=CC=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226047	0	35	-1.0	-41.44	296.77	4.40	-37.04
O=C(NC1=CC=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226047	1	35	-1.0	-41.46	296.83	4.41	-37.05
CSCC[C@H](NC(=O)NC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020226048	0	35	-1.0	-43.33	324.73	3.47	-39.86
CSCC[C@H](NC(=O)NC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020226048	1	35	-1.0	-43.35	324.79	3.49	-39.86
O=C(NC1=CC=C(F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226049	0	38	-1.0	-37.96	311.26	4.59	-33.37
O=C(NC1=CC=C(F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226049	1	38	-1.0	-37.98	311.30	4.62	-33.36
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020226050	0	43	-1.0	-43.99	361.94	3.98	-40.01
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020226050	1	43	-1.0	-43.96	361.88	3.96	-40.00
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020226051	0	43	-1.0	-45.57	342.92	3.46	-42.11
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020226051	1	43	-1.0	-45.56	342.98	3.47	-42.09
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC	REAL300020226052	0	40	-1.0	-55.42	327.21	2.59	-52.83
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC	REAL300020226052	1	40	-1.0	-55.44	327.27	2.61	-52.83
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020226053	0	43	-1.0	-48.63	370.75	2.55	-46.08
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020226053	1	43	-1.0	-48.65	370.81	2.57	-46.08
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020226054	0	40	-1.0	-45.67	328.87	2.62	-43.05
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020226054	1	40	-1.0	-45.69	328.94	2.62	-43.07
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020226055	0	46	-1.0	-43.05	355.25	3.65	-39.40
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020226055	1	46	-1.0	-43.07	355.29	3.66	-39.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C(Cl)=C1	REAL300020226056	0	35	-1.0	-43.07	325.92	5.32	-37.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C(Cl)=C1	REAL300020226056	1	35	-1.0	-42.99	325.87	5.30	-37.69
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226057	0	35	-1.0	-41.02	306.65	4.85	-36.17
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226057	1	35	-1.0	-41.03	306.71	4.87	-36.16
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226058	0	32	-1.0	-55.94	291.10	3.96	-51.98
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226058	1	32	-1.0	-55.95	291.16	3.98	-51.97
CSCC[C@H](NC(=O)NC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020226059	0	35	-1.0	-43.25	334.61	3.92	-39.33
CSCC[C@H](NC(=O)NC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020226059	1	35	-1.0	-43.24	334.67	3.94	-39.30
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226060	0	32	-1.0	-45.23	292.48	4.02	-41.21
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226060	1	32	-1.0	-45.22	292.55	4.02	-41.20
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226061	0	38	-1.0	-37.38	321.14	5.03	-32.35
O=C(NC1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226061	1	38	-1.0	-37.42	321.19	5.06	-32.36
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1	REAL300020226062	0	43	-1.0	-47.85	361.82	3.44	-44.41
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1	REAL300020226062	1	43	-1.0	-47.86	361.77	3.41	-44.45
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1	REAL300020226063	0	43	-1.0	-47.00	343.03	2.89	-44.11
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1	REAL300020226063	1	43	-1.0	-47.02	343.08	2.90	-44.12
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(OC)=C1	REAL300020226064	0	40	-1.0	-56.78	327.77	1.96	-54.82
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(OC)=C1	REAL300020226064	1	40	-1.0	-56.80	327.83	1.99	-54.81
COC1=CC(OC)=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020226065	0	43	-1.0	-49.71	371.28	1.93	-47.78
COC1=CC(OC)=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020226065	1	43	-1.0	-49.67	371.33	1.95	-47.72
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020226066	0	40	-1.0	-47.34	329.11	2.03	-45.31
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020226066	1	40	-1.0	-47.37	329.19	2.04	-45.33
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1	REAL300020226067	0	46	-1.0	-52.78	351.13	3.78	-49.00
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1	REAL300020226067	1	46	-1.0	-52.81	351.19	3.79	-49.02
CC1=CC(C)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226068	0	41	-1.0	-44.97	345.67	6.18	-38.79
CC1=CC(C)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226068	1	41	-1.0	-44.98	345.61	6.16	-38.82
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C)=C1	REAL300020226069	0	41	-1.0	-44.11	326.86	5.62	-38.49
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C)=C1	REAL300020226069	1	41	-1.0	-44.09	326.92	5.64	-38.45
CSCC[C@H](NC(=O)NC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300020226070	0	41	-1.0	-46.93	355.11	4.67	-42.26
CSCC[C@H](NC(=O)NC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300020226070	1	41	-1.0	-46.92	355.17	4.68	-42.24
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1	REAL300020226071	0	44	-1.0	-49.60	334.97	6.52	-43.08
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1	REAL300020226071	1	44	-1.0	-49.61	335.02	6.53	-43.08
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C=C1F	REAL300020226072	0	35	-1.0	-40.57	325.49	5.46	-35.11
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C=C1F	REAL300020226072	1	35	-1.0	-40.60	325.43	5.44	-35.16
O=C(NC1=CC=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226073	0	35	-1.0	-40.11	305.76	4.93	-35.18
O=C(NC1=CC=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226073	1	35	-1.0	-40.12	305.81	4.94	-35.18
O=C(NC1=CC=C(Cl)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020226074	0	32	-1.0	-47.89	290.33	4.01	-43.88
O=C(NC1=CC=C(Cl)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020226074	1	32	-1.0	-47.93	290.39	4.03	-43.90
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300020226075	0	35	-1.0	-42.26	333.85	3.97	-38.29
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300020226075	1	35	-1.0	-42.23	333.91	3.98	-38.25
O=C(NC1=CC=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020226076	0	32	-1.0	-39.81	292.50	4.05	-35.76
O=C(NC1=CC=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020226076	1	32	-1.0	-39.79	292.57	4.06	-35.73
O=C(NC1=CC=C(Cl)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020226077	0	38	-1.0	-44.90	314.14	5.91	-38.99
O=C(NC1=CC=C(Cl)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020226077	1	38	-1.0	-44.87	314.19	5.92	-38.95
CC1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226078	0	38	-1.0	-57.96	328.04	5.75	-52.21
CC1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226078	1	38	-1.0	-57.94	327.99	5.73	-52.21
CC1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226079	0	38	-1.0	-45.00	306.79	5.17	-39.83
CC1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226079	1	38	-1.0	-45.03	306.84	5.19	-39.84
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1C)C1=N[N-]N=N1	REAL300020226080	0	38	-1.0	-48.23	337.21	4.32	-43.91
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1C)C1=NN=N[N-]1	REAL300020226080	1	38	-1.0	-48.25	337.27	4.33	-43.92
CC1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226081	0	41	-1.0	-51.78	315.64	6.07	-45.71
CC1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226081	1	41	-1.0	-51.73	315.69	6.08	-45.65
O=C(NC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226082	0	38	-1.0	-48.78	341.86	5.79	-42.99
O=C(NC1=CC=C(C(F)(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226082	1	38	-1.0	-48.79	341.81	5.77	-43.02
O=C(NC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226083	0	38	-1.0	-42.00	322.62	5.31	-36.69
O=C(NC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226083	1	38	-1.0	-42.03	322.68	5.32	-36.71
O=C(NC1=CC=C(C(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226084	0	35	-1.0	-53.02	307.26	4.38	-48.64
O=C(NC1=CC=C(C(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226084	1	35	-1.0	-53.04	307.32	4.40	-48.64
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020226085	0	38	-1.0	-46.53	351.00	4.33	-42.20
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020226085	1	38	-1.0	-46.57	351.05	4.34	-42.23
O=C(NC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226086	0	35	-1.0	-42.87	308.87	4.41	-38.46
O=C(NC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226086	1	35	-1.0	-42.88	308.94	4.43	-38.45
O=C(NC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226087	0	41	-1.0	-46.99	330.76	6.20	-40.79
O=C(NC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226087	1	41	-1.0	-46.99	330.81	6.21	-40.78
CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226088	0	41	-1.0	-49.00	345.74	6.27	-42.73
CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226088	1	41	-1.0	-48.95	345.69	6.25	-42.70
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226089	0	41	-1.0	-43.84	327.15	5.72	-38.12
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226089	1	41	-1.0	-43.81	327.21	5.74	-38.07
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020226090	0	41	-1.0	-48.77	355.17	4.77	-44.00
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020226090	1	41	-1.0	-48.77	355.23	4.78	-43.99
CCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226091	0	44	-1.0	-49.47	334.94	6.64	-42.83
CCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226091	1	44	-1.0	-49.43	334.98	6.65	-42.78
COC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)CC1)OC1=C2C=CC=C1	REAL300020226092	0	48	-1.0	-49.08	385.66	6.42	-42.66
COC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)CC1)OC1=C2C=CC=C1	REAL300020226092	1	48	-1.0	-49.10	385.72	6.44	-42.66
COC1=CC2=C(C=C1NC(=O)N1CCCC1C1=N[N-]N=N1)OC1=C2C=CC=C1	REAL300020226093	0	45	-1.0	-60.87	370.64	5.49	-55.38
COC1=CC2=C(C=C1NC(=O)N1CCCC1C1=NN=N[N-]1)OC1=C2C=CC=C1	REAL300020226093	1	45	-1.0	-60.84	370.70	5.51	-55.33
COC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)C1)OC1=C2C=CC=C1	REAL300020226094	0	45	-1.0	-49.91	372.00	5.55	-44.36
COC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)C1)OC1=C2C=CC=C1	REAL300020226094	1	45	-1.0	-49.92	372.08	5.56	-44.36
COC1=CC=C(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226095	0	42	-1.0	-53.53	353.07	4.86	-48.67
COC1=CC=C(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226095	1	42	-1.0	-53.52	353.01	4.83	-48.69
COC1=CC=C(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226096	0	42	-1.0	-44.54	334.44	4.35	-40.19
COC1=CC=C(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226096	1	42	-1.0	-44.50	334.49	4.37	-40.13
COC1=CC=C(C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226097	0	39	-1.0	-54.64	317.90	3.48	-51.16
COC1=CC=C(C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226097	1	39	-1.0	-54.63	317.96	3.49	-51.14
COC1=CC=C(C)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020226098	0	42	-1.0	-48.15	362.23	3.43	-44.72
COC1=CC=C(C)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020226098	1	42	-1.0	-48.14	362.29	3.44	-44.70
COC1=CC=C(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226099	0	39	-1.0	-44.57	320.07	3.51	-41.06
COC1=CC=C(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226099	1	39	-1.0	-44.63	320.15	3.53	-41.10
COC1=CC=C(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226100	0	45	-1.0	-44.02	345.68	4.63	-39.39
COC1=CC=C(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226100	1	45	-1.0	-44.02	345.75	4.63	-39.39
COC1=CC=C(OC)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226101	0	43	-1.0	-57.88	361.14	3.47	-54.41
COC1=CC=C(OC)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226101	1	43	-1.0	-57.86	361.08	3.45	-54.41
COC1=CC=C(OC)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226102	0	43	-1.0	-47.44	342.50	2.96	-44.48
COC1=CC=C(OC)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226102	1	43	-1.0	-47.43	342.56	2.98	-44.45
COC1=CC=C(OC)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020226103	0	40	-1.0	-58.06	325.97	2.08	-55.98
COC1=CC=C(OC)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020226103	1	40	-1.0	-58.09	326.03	2.09	-56.00
COC1=CC=C(OC)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020226104	0	43	-1.0	-50.80	370.30	2.05	-48.75
COC1=CC=C(OC)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020226104	1	43	-1.0	-50.81	370.36	2.06	-48.75
COC1=CC=C(OC)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020226105	0	40	-1.0	-47.49	328.14	2.12	-45.37
COC1=CC=C(OC)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020226105	1	40	-1.0	-47.48	328.21	2.13	-45.35
COC1=CC=C(OC)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226106	0	46	-1.0	-45.62	353.70	3.24	-42.38
COC1=CC=C(OC)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226106	1	46	-1.0	-45.59	353.74	3.24	-42.35
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020226107	0	38	-1.0	-50.74	330.01	5.46	-45.28
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020226107	1	38	-1.0	-50.75	329.96	5.44	-45.31
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020226108	0	38	-1.0	-41.87	310.76	4.99	-36.88
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020226108	1	38	-1.0	-41.85	310.81	5.00	-36.85
CSCC[C@H](NC(=O)NC1=CC=C(C)C(F)=C1)C1=N[N-]N=N1	REAL300020226109	0	38	-1.0	-48.50	338.73	4.07	-44.43
CSCC[C@H](NC(=O)NC1=CC=C(C)C(F)=C1)C1=NN=N[N-]1	REAL300020226109	1	38	-1.0	-48.48	338.78	4.09	-44.39
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020226110	0	41	-1.0	-41.11	325.25	5.18	-35.93
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020226110	1	41	-1.0	-41.07	325.30	5.21	-35.86
CNC(=O)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226111	0	46	-1.0	-56.88	393.33	3.60	-53.28
CNC(=O)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226111	1	46	-1.0	-56.88	393.28	3.58	-53.30
CNC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226112	0	46	-1.0	-52.76	372.92	3.19	-49.57
CNC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226112	1	46	-1.0	-52.73	372.98	3.20	-49.53
CNC(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020226113	0	43	-1.0	-76.48	358.51	2.24	-74.24
CNC(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020226113	1	43	-1.0	-76.49	358.57	2.26	-74.23
CNC(=O)COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020226114	0	46	-1.0	-55.76	402.04	2.21	-53.55
CNC(=O)COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020226114	1	46	-1.0	-55.74	402.10	2.23	-53.51
CNC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020226115	0	43	-1.0	-60.87	360.16	2.27	-58.60
CNC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020226115	1	43	-1.0	-60.84	360.24	2.28	-58.56
CNC(=O)COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226116	0	49	-1.0	-57.47	382.17	4.02	-53.45
CNC(=O)COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226116	1	49	-1.0	-57.50	382.22	4.04	-53.46
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2CCCCC2=O)=C1	REAL300020226117	0	49	-1.0	-62.28	404.42	6.61	-55.67
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2CCCCC2=O)=C1	REAL300020226117	1	49	-1.0	-62.30	404.37	6.58	-55.72
O=C(NC1=CC=CC(N2CCCCC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226118	0	49	-1.0	-47.42	384.72	6.18	-41.24
O=C(NC1=CC=CC(N2CCCCC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226118	1	49	-1.0	-47.44	384.78	6.20	-41.24
O=C(NC1=CC(N2CCCCC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226119	0	46	-1.0	-63.35	369.39	5.22	-58.13
O=C(NC1=CC(N2CCCCC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226119	1	46	-1.0	-63.37	369.45	5.24	-58.13
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCCCC2=O)=C1)C1=N[N-]N=N1	REAL300020226120	0	49	-1.0	-54.20	412.91	5.19	-49.01
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCCCC2=O)=C1)C1=NN=N[N-]1	REAL300020226120	1	49	-1.0	-54.19	412.96	5.21	-48.98
O=C(NC1=CC=CC(N2CCCCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226121	0	46	-1.0	-48.01	371.24	5.27	-42.74
O=C(NC1=CC=CC(N2CCCCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226121	1	46	-1.0	-47.97	371.32	5.29	-42.68
O=C(NC1=CC(N2CCCCC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226122	0	52	-1.0	-58.62	393.11	7.02	-51.60
O=C(NC1=CC(N2CCCCC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226122	1	52	-1.0	-58.61	393.17	7.04	-51.57
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226123	0	44	-1.0	-53.51	377.98	4.05	-49.46
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226123	1	44	-1.0	-53.48	377.93	4.03	-49.45
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226124	0	44	-1.0	-45.10	359.27	3.50	-41.60
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226124	1	44	-1.0	-45.18	359.33	3.52	-41.66
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226125	0	41	-1.0	-66.47	343.61	2.62	-63.85
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226125	1	41	-1.0	-66.46	343.66	2.64	-63.82
CSCC[C@H](NC(=O)NC1=CC=C2OC(C3CC3)=NC2=C1)C1=N[N-]N=N1	REAL300020226126	0	44	-1.0	-53.84	387.45	2.56	-51.28
CSCC[C@H](NC(=O)NC1=CC=C2OC(C3CC3)=NC2=C1)C1=NN=N[N-]1	REAL300020226126	1	44	-1.0	-53.87	387.51	2.57	-51.30
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226127	0	41	-1.0	-44.96	345.26	2.65	-42.31
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226127	1	41	-1.0	-44.98	345.34	2.67	-42.31
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226128	0	47	-1.0	-46.63	371.61	3.67	-42.96
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226128	1	47	-1.0	-46.67	371.65	3.68	-42.99
O=C(NCC(F)(F)F)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226129	0	45	-1.0	-45.02	379.83	3.90	-41.12
O=C(NCC(F)(F)F)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226129	1	45	-1.0	-45.02	379.89	3.91	-41.11
O=C(NCC(F)(F)F)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226130	0	42	-1.0	-53.75	365.61	2.98	-50.77
O=C(NCC(F)(F)F)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226130	1	42	-1.0	-53.78	365.67	2.99	-50.79
O=C(NCC(F)(F)F)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226131	0	42	-1.0	-45.06	367.29	3.01	-42.05
O=C(NCC(F)(F)F)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226131	1	42	-1.0	-45.09	367.36	3.02	-42.07
CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226132	0	38	-1.0	-41.95	321.64	5.69	-36.26
CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226132	1	38	-1.0	-41.96	321.59	5.66	-36.30
CSCC[C@H](NC(=O)NC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020226133	0	38	-1.0	-46.69	330.80	4.25	-42.44
CSCC[C@H](NC(=O)NC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020226133	1	38	-1.0	-46.72	330.85	4.26	-42.46
CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226134	0	41	-1.0	-50.34	310.12	6.14	-44.20
CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226134	1	41	-1.0	-50.37	310.17	6.15	-44.22
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020226135	0	41	-1.0	-44.91	343.01	6.39	-38.52
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020226135	1	41	-1.0	-44.90	342.95	6.37	-38.53
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020226136	0	41	-1.0	-43.63	323.98	5.87	-37.76
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020226136	1	41	-1.0	-43.66	324.03	5.88	-37.78
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300020226137	0	41	-1.0	-46.71	351.24	4.86	-41.85
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300020226137	1	41	-1.0	-46.73	351.30	4.88	-41.85
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020226138	0	44	-1.0	-50.72	331.50	6.80	-43.92
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020226138	1	44	-1.0	-50.74	331.55	6.80	-43.94
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226139	0	38	-1.0	-49.95	324.56	5.47	-44.48
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226139	1	38	-1.0	-49.93	324.50	5.44	-44.49
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020226140	0	38	-1.0	-48.95	333.69	4.00	-44.95
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020226140	1	38	-1.0	-48.97	333.75	4.02	-44.95
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226141	0	41	-1.0	-49.32	313.45	5.88	-43.44
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226141	1	41	-1.0	-49.31	313.50	5.88	-43.43
O=C(NC1=CC=C(C23CC4CC(CC(C4)C2)C3)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226142	0	56	-1.0	-53.47	406.67	8.67	-44.80
O=C(NC1=CC=C(C23CC4CC(CC(C4)C2)C3)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226142	1	56	-1.0	-53.44	406.73	8.68	-44.76
O=C(NC1=CC=C(C23CC4CC(CC(C4)C2)C3)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226143	0	56	-1.0	-43.53	408.06	8.72	-34.81
O=C(NC1=CC=C(C23CC4CC(CC(C4)C2)C3)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226143	1	56	-1.0	-43.54	408.13	8.73	-34.81
CC1=CC=C(SC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C=C1C	REAL300020226144	0	49	-1.0	-54.97	407.98	8.71	-46.26
CC1=CC=C(SC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C=C1C	REAL300020226144	1	49	-1.0	-54.96	408.04	8.73	-46.23
CC1=CC=C(SC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=C1C	REAL300020226145	0	49	-1.0	-44.65	408.80	8.68	-35.97
CC1=CC=C(SC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1C	REAL300020226145	1	49	-1.0	-44.66	408.87	8.69	-35.97
CC1=CC=C(OC2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226146	0	49	-1.0	-42.71	391.90	7.94	-34.77
CC1=CC=C(OC2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226146	1	49	-1.0	-42.71	391.96	7.96	-34.75
CC1=CC=C(OC2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226147	0	46	-1.0	-53.81	379.08	6.99	-46.82
CC1=CC=C(OC2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226147	1	46	-1.0	-53.85	379.13	7.01	-46.84
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020226148	0	49	-1.0	-47.04	421.09	7.01	-40.03
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020226148	1	49	-1.0	-47.03	421.15	7.03	-40.00
CC1=CC=C(OC2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226149	0	46	-1.0	-43.50	378.21	7.04	-36.46
CC1=CC=C(OC2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226149	1	46	-1.0	-43.60	378.28	7.05	-36.55
CC1=CC=C(OC2=CC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226150	0	52	-1.0	-48.35	400.76	8.84	-39.51
CC1=CC=C(OC2=CC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226150	1	52	-1.0	-48.38	400.81	8.86	-39.52
O=C(NC1=CC(Cl)=CC=C1N1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226151	0	50	-1.0	-41.53	395.39	6.73	-34.80
O=C(NC1=CC(Cl)=CC=C1N1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226151	1	50	-1.0	-41.52	395.44	6.74	-34.78
O=C(NC1=CC(Cl)=CC=C1N1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020226152	0	47	-1.0	-54.02	381.66	5.74	-48.28
O=C(NC1=CC(Cl)=CC=C1N1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020226152	1	47	-1.0	-53.96	381.71	5.76	-48.20
O=C(NC1=CC(Cl)=CC=C1N1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226153	0	47	-1.0	-42.60	383.05	5.77	-36.83
O=C(NC1=CC(Cl)=CC=C1N1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226153	1	47	-1.0	-42.61	383.13	5.79	-36.82
COCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226154	0	46	-1.0	-50.54	388.16	4.28	-46.26
COCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226154	1	46	-1.0	-50.58	388.10	4.26	-46.32
COCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226155	0	46	-1.0	-45.79	367.60	3.79	-42.00
COCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226155	1	46	-1.0	-45.86	367.65	3.81	-42.05
COCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226156	0	43	-1.0	-59.64	353.46	2.88	-56.76
COCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226156	1	43	-1.0	-59.69	353.52	2.89	-56.80
COCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020226157	0	46	-1.0	-52.58	397.28	2.81	-49.77
COCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020226157	1	46	-1.0	-52.57	397.34	2.83	-49.74
COCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226158	0	43	-1.0	-45.59	355.17	2.92	-42.67
COCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226158	1	43	-1.0	-45.58	355.24	2.92	-42.66
COCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226159	0	49	-1.0	-52.06	377.04	4.68	-47.38
COCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226159	1	49	-1.0	-52.07	377.09	4.68	-47.39
CC(C)(C)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226160	0	47	-1.0	-41.13	369.39	7.91	-33.22
CC(C)(C)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226160	1	47	-1.0	-41.09	369.33	7.88	-33.21
CC(C)(C)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226161	0	47	-1.0	-42.77	349.32	7.41	-35.36
CC(C)(C)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226161	1	47	-1.0	-42.79	349.37	7.42	-35.37
CC(C)(C)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226162	0	44	-1.0	-53.73	332.89	6.22	-47.51
CC(C)(C)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226162	1	44	-1.0	-53.73	332.94	6.25	-47.48
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL300020226163	0	47	-1.0	-46.73	378.45	6.48	-40.25
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL300020226163	1	47	-1.0	-46.74	378.51	6.50	-40.24
CC(C)(C)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226164	0	44	-1.0	-42.67	334.49	6.31	-36.36
CC(C)(C)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226164	1	44	-1.0	-42.66	334.57	6.32	-36.34
CC(C)(C)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226165	0	50	-1.0	-50.85	358.68	8.39	-42.46
CC(C)(C)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226165	1	50	-1.0	-50.88	358.73	8.39	-42.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1CCCC2	REAL300020226166	0	45	-1.0	-41.69	361.97	7.44	-34.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1CCCC2	REAL300020226166	1	45	-1.0	-41.68	361.91	7.42	-34.26
O=C(NC1=CC=CC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226167	0	45	-1.0	-42.78	342.98	6.94	-35.84
O=C(NC1=CC=CC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226167	1	45	-1.0	-42.81	343.04	6.95	-35.86
O=C(NC1=CC=CC2=C1CCCC2)N1CCCC1C1=N[N-]N=N1	REAL300020226168	0	42	-1.0	-54.33	328.47	6.09	-48.24
O=C(NC1=CC=CC2=C1CCCC2)N1CCCC1C1=NN=N[N-]1	REAL300020226168	1	42	-1.0	-54.34	328.53	6.10	-48.24
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCCC2)C1=N[N-]N=N1	REAL300020226169	0	45	-1.0	-48.24	372.18	6.07	-42.17
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCCC2)C1=NN=N[N-]1	REAL300020226169	1	45	-1.0	-48.27	372.24	6.09	-42.18
O=C(NC1=CC=CC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020226170	0	42	-1.0	-43.98	330.06	6.16	-37.82
O=C(NC1=CC=CC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020226170	1	42	-1.0	-44.00	330.13	6.17	-37.83
O=C(NC1=CC=CC2=C1CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020226171	0	48	-1.0	-50.39	352.07	7.88	-42.51
O=C(NC1=CC=CC2=C1CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020226171	1	48	-1.0	-50.42	352.12	7.88	-42.54
O=C(NC1=CC=CC(I)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226172	0	35	-1.0	-44.13	310.63	5.42	-38.71
O=C(NC1=CC=CC(I)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226172	1	35	-1.0	-44.14	310.69	5.44	-38.70
O=C(NC1=CC=CC(I)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226173	0	32	-1.0	-55.94	296.28	4.49	-51.45
O=C(NC1=CC=CC(I)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226173	1	32	-1.0	-55.95	296.34	4.51	-51.44
O=C(NC1=CC=CC(I)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226174	0	32	-1.0	-41.41	297.91	4.52	-36.89
O=C(NC1=CC=CC(I)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226174	1	32	-1.0	-41.48	297.98	4.53	-36.95
CSC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226175	0	39	-1.0	-41.99	340.10	5.92	-36.07
CSC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226175	1	39	-1.0	-41.99	340.04	5.89	-36.10
CSC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226176	0	39	-1.0	-43.30	320.53	5.43	-37.87
CSC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226176	1	39	-1.0	-43.32	320.59	5.44	-37.88
CSC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226177	0	36	-1.0	-54.95	306.74	4.53	-50.42
CSC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226177	1	36	-1.0	-54.94	306.80	4.55	-50.39
CSCC[C@H](NC(=O)NC1=CC=CC=C1SC)C1=N[N-]N=N1	REAL300020226178	0	39	-1.0	-47.79	349.39	4.48	-43.31
CSCC[C@H](NC(=O)NC1=CC=CC=C1SC)C1=NN=N[N-]1	REAL300020226178	1	39	-1.0	-47.75	349.45	4.50	-43.25
CSC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226179	0	36	-1.0	-43.60	307.25	4.58	-39.02
CSC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226179	1	36	-1.0	-43.59	307.32	4.58	-39.01
CSC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226180	0	42	-1.0	-43.11	331.76	5.57	-37.54
CSC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226180	1	42	-1.0	-43.05	331.80	5.59	-37.46
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1N1CCCCC1	REAL300020226181	0	50	-1.0	-40.49	398.47	6.72	-33.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1N1CCCCC1	REAL300020226181	1	50	-1.0	-40.46	398.41	6.69	-33.77
O=C(NC1=CC=CC=C1N1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226182	0	50	-1.0	-41.53	378.80	6.23	-35.30
O=C(NC1=CC=CC=C1N1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226182	1	50	-1.0	-41.54	378.86	6.24	-35.30
O=C(NC1=CC=CC=C1N1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020226183	0	47	-1.0	-53.52	363.98	5.26	-48.26
O=C(NC1=CC=CC=C1N1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020226183	1	47	-1.0	-53.52	364.04	5.29	-48.23
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CCCCC1)C1=N[N-]N=N1	REAL300020226184	0	50	-1.0	-46.26	408.48	5.16	-41.10
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CCCCC1)C1=NN=N[N-]1	REAL300020226184	1	50	-1.0	-46.21	408.54	5.18	-41.03
O=C(NC1=CC=CC=C1N1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226185	0	47	-1.0	-42.36	366.34	5.23	-37.13
O=C(NC1=CC=CC=C1N1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226185	1	47	-1.0	-42.36	366.41	5.25	-37.11
O=C(NC1=CC=CC=C1N1CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226186	0	53	-1.0	-48.60	387.77	7.06	-41.54
O=C(NC1=CC=CC=C1N1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226186	1	53	-1.0	-48.60	387.82	7.07	-41.53
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1S(=O)(=O)N(C)C	REAL300020226187	0	49	-1.0	-48.02	387.17	2.77	-45.25
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1S(=O)(=O)N(C)C	REAL300020226187	1	49	-1.0	-48.03	387.23	2.78	-45.25
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300020226188	0	46	-1.0	-66.65	371.69	1.82	-64.83
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300020226188	1	46	-1.0	-66.67	371.75	1.83	-64.84
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)N(C)C	REAL300020226189	0	46	-1.0	-56.04	371.85	1.92	-54.12
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)N(C)C	REAL300020226189	1	46	-1.0	-56.03	371.93	1.93	-54.10
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020226190	0	38	-1.0	-42.76	330.16	5.62	-37.14
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020226190	1	38	-1.0	-42.70	330.10	5.59	-37.11
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020226191	0	38	-1.0	-42.45	309.94	5.11	-37.34
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020226191	1	38	-1.0	-42.47	310.00	5.13	-37.34
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1F)C1=N[N-]N=N1	REAL300020226192	0	38	-1.0	-45.03	338.52	4.12	-40.91
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1F)C1=NN=N[N-]1	REAL300020226192	1	38	-1.0	-45.02	338.57	4.14	-40.88
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020226193	0	41	-1.0	-47.82	318.81	6.07	-41.75
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020226193	1	41	-1.0	-47.83	318.86	6.07	-41.76
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Br)=C1	REAL300020226194	0	38	-1.0	-39.95	342.32	6.21	-33.74
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Br)=C1	REAL300020226194	1	38	-1.0	-39.94	342.26	6.18	-33.76
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=C1	REAL300020226195	0	38	-1.0	-41.67	323.07	5.73	-35.94
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Br)=C1	REAL300020226195	1	38	-1.0	-41.68	323.13	5.75	-35.93
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=C1	REAL300020226196	0	35	-1.0	-51.40	309.01	4.82	-46.58
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=C1	REAL300020226196	1	35	-1.0	-51.42	309.07	4.85	-46.57
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1Br)C1=N[N-]N=N1	REAL300020226197	0	38	-1.0	-44.72	352.55	4.79	-39.93
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1Br)C1=NN=N[N-]1	REAL300020226197	1	38	-1.0	-44.72	352.61	4.81	-39.91
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020226198	0	35	-1.0	-41.42	310.37	4.87	-36.55
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020226198	1	35	-1.0	-41.42	310.44	4.88	-36.54
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=C1	REAL300020226199	0	41	-1.0	-47.33	331.91	6.71	-40.62
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=C1	REAL300020226199	1	41	-1.0	-47.31	331.96	6.71	-40.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020226200	0	45	-1.0	-52.83	379.93	8.83	-44.00
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C1=CC=CC=C1	REAL300020226200	1	45	-1.0	-52.80	379.88	8.80	-44.00
O=C(NC1=CC=CC=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226201	0	45	-1.0	-43.14	359.56	8.32	-34.82
O=C(NC1=CC=CC=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226201	1	45	-1.0	-43.14	359.62	8.34	-34.80
O=C(NC1=CC=CC=C1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226202	0	42	-1.0	-55.05	345.49	7.45	-47.60
O=C(NC1=CC=CC=C1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226202	1	42	-1.0	-55.06	345.55	7.46	-47.60
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020226203	0	45	-1.0	-47.64	389.09	7.41	-40.23
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020226203	1	45	-1.0	-47.67	389.15	7.43	-40.24
O=C(NC1=CC=CC=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226204	0	42	-1.0	-43.30	346.89	7.51	-35.79
O=C(NC1=CC=CC=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226204	1	42	-1.0	-43.33	346.96	7.51	-35.82
O=C(NC1=CC=CC=C1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226205	0	48	-1.0	-50.81	367.17	9.03	-41.78
O=C(NC1=CC=CC=C1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226205	1	48	-1.0	-50.78	367.23	9.04	-41.74
N#CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226206	0	36	-1.0	-60.71	324.17	5.15	-55.56
N#CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226206	1	36	-1.0	-60.69	324.12	5.12	-55.57
CSCC[C@H](NC(=O)NC1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020226207	0	36	-1.0	-49.71	332.93	3.74	-45.97
CSCC[C@H](NC(=O)NC1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020226207	1	36	-1.0	-49.74	332.98	3.75	-45.99
N#CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226208	0	39	-1.0	-40.19	319.36	4.87	-35.32
N#CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226208	1	39	-1.0	-40.24	319.41	4.89	-35.35
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300020226209	0	38	-1.0	-49.21	354.97	6.19	-43.02
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300020226209	1	38	-1.0	-49.20	355.03	6.21	-42.99
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226210	0	38	-1.0	-40.12	334.58	5.75	-34.37
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226210	1	38	-1.0	-40.12	334.64	5.76	-34.36
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226211	0	35	-1.0	-48.82	320.48	4.79	-44.03
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226211	1	35	-1.0	-48.83	320.53	4.81	-44.02
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020226212	0	38	-1.0	-46.63	364.16	4.74	-41.89
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020226212	1	38	-1.0	-46.62	364.22	4.76	-41.86
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226213	0	35	-1.0	-40.75	321.74	4.86	-35.89
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226213	1	35	-1.0	-40.74	321.82	4.87	-35.87
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226214	0	41	-1.0	-36.90	350.40	5.89	-31.01
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226214	1	41	-1.0	-36.94	350.46	5.92	-31.02
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC)=C1	REAL300020226215	0	43	-1.0	-42.21	360.22	3.50	-38.71
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC)=C1	REAL300020226215	1	43	-1.0	-42.16	360.16	3.48	-38.68
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300020226216	0	43	-1.0	-44.13	341.42	3.01	-41.12
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020226216	1	43	-1.0	-44.13	341.47	3.03	-41.10
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OC)=C1	REAL300020226217	0	40	-1.0	-54.14	326.80	2.07	-52.07
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OC)=C1	REAL300020226217	1	40	-1.0	-54.17	326.86	2.10	-52.07
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020226218	0	43	-1.0	-47.31	370.34	2.04	-45.27
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020226218	1	43	-1.0	-47.33	370.40	2.06	-45.27
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020226219	0	40	-1.0	-43.99	328.17	2.13	-41.86
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020226219	1	40	-1.0	-43.99	328.24	2.14	-41.85
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=C1	REAL300020226220	0	46	-1.0	-50.42	349.80	4.00	-46.42
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=C1	REAL300020226220	1	46	-1.0	-50.43	349.85	4.00	-46.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300020226221	0	37	-1.0	-65.53	343.97	5.80	-59.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300020226221	1	37	-1.0	-65.54	343.91	5.78	-59.76
O=C(NC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226222	0	37	-1.0	-43.38	324.89	5.31	-38.07
O=C(NC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226222	1	37	-1.0	-43.36	324.94	5.33	-38.03
O=C(NC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226223	0	34	-1.0	-47.45	309.15	4.44	-43.01
O=C(NC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226223	1	34	-1.0	-47.48	309.21	4.46	-43.02
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020226224	0	37	-1.0	-58.16	352.93	4.37	-53.79
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020226224	1	37	-1.0	-58.16	352.99	4.39	-53.77
O=C(NC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226225	0	34	-1.0	-51.96	310.53	4.50	-47.46
O=C(NC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226225	1	34	-1.0	-51.94	310.60	4.50	-47.44
O=C(NC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226226	0	40	-1.0	-37.98	337.19	5.50	-32.48
O=C(NC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226226	1	40	-1.0	-37.96	337.27	5.52	-32.44
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020226227	0	39	-1.0	-58.78	348.84	4.61	-54.17
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020226227	1	39	-1.0	-58.80	348.78	4.58	-54.22
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020226228	0	39	-1.0	-42.85	329.58	4.14	-38.71
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020226228	1	39	-1.0	-42.83	329.64	4.15	-38.68
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020226229	0	36	-1.0	-59.23	314.03	3.24	-55.99
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020226229	1	36	-1.0	-59.21	314.09	3.26	-55.95
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020226230	0	39	-1.0	-45.23	357.55	3.20	-42.03
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020226230	1	39	-1.0	-45.21	357.60	3.22	-41.99
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020226231	0	36	-1.0	-47.55	315.66	3.27	-44.28
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020226231	1	36	-1.0	-47.61	315.73	3.28	-44.33
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020226232	0	42	-1.0	-40.93	344.07	4.31	-36.62
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020226232	1	42	-1.0	-40.98	344.12	4.34	-36.64
CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226233	0	42	-1.0	-42.07	352.58	5.14	-36.93
CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226233	1	42	-1.0	-42.04	352.52	5.11	-36.93
CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226234	0	42	-1.0	-44.05	333.78	4.65	-39.40
CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226234	1	42	-1.0	-44.03	333.84	4.66	-39.37
CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226235	0	39	-1.0	-55.08	319.15	3.71	-51.37
CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226235	1	39	-1.0	-55.10	319.21	3.74	-51.36
CCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020226236	0	42	-1.0	-47.86	361.88	3.69	-44.17
CCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020226236	1	42	-1.0	-47.90	361.94	3.70	-44.20
CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226237	0	39	-1.0	-43.71	319.72	3.79	-39.92
CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226237	1	39	-1.0	-43.72	319.79	3.80	-39.92
CCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226238	0	45	-1.0	-45.61	348.50	4.82	-40.79
CCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226238	1	45	-1.0	-45.63	348.55	4.84	-40.79
CCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226239	0	41	-1.0	-53.35	346.05	6.23	-47.12
CCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226239	1	41	-1.0	-53.35	346.00	6.21	-47.14
CCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226240	0	41	-1.0	-44.00	327.06	5.72	-38.28
CCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226240	1	41	-1.0	-44.04	327.12	5.74	-38.30
CCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020226241	0	41	-1.0	-46.24	354.92	4.80	-41.44
CCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020226241	1	41	-1.0	-46.23	354.98	4.82	-41.41
CCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226242	0	44	-1.0	-41.83	339.46	5.90	-35.93
CCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226242	1	44	-1.0	-41.81	339.50	5.91	-35.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1CC1=CC=CC=C1	REAL300020226243	0	48	-1.0	-50.67	397.61	9.64	-41.03
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1CC1=CC=CC=C1	REAL300020226243	1	48	-1.0	-50.70	397.55	9.62	-41.08
O=C(NC1=CC=CC=C1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226244	0	48	-1.0	-45.23	378.85	9.15	-36.08
O=C(NC1=CC=CC=C1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226244	1	48	-1.0	-45.27	378.90	9.17	-36.10
O=C(NC1=CC=CC=C1CC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226245	0	45	-1.0	-56.73	362.33	8.22	-48.51
O=C(NC1=CC=CC=C1CC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226245	1	45	-1.0	-56.75	362.39	8.25	-48.50
CSCC[C@H](NC(=O)NC1=CC=CC=C1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020226246	0	48	-1.0	-49.31	407.15	8.20	-41.11
CSCC[C@H](NC(=O)NC1=CC=CC=C1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020226246	1	48	-1.0	-49.33	407.21	8.22	-41.11
O=C(NC1=CC=CC=C1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226247	0	45	-1.0	-45.55	364.77	8.28	-37.27
O=C(NC1=CC=CC=C1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226247	1	45	-1.0	-45.54	364.85	8.30	-37.24
O=C(NC1=CC=CC=C1CC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226248	0	51	-1.0	-50.87	384.76	9.94	-40.93
O=C(NC1=CC=CC=C1CC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226248	1	51	-1.0	-50.85	384.81	9.94	-40.91
CCC1=CC=CC(CC)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226249	0	47	-1.0	-43.17	375.82	7.71	-35.46
CCC1=CC=CC(CC)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226249	1	47	-1.0	-43.20	375.77	7.69	-35.51
CCC1=CC=CC(CC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226250	0	47	-1.0	-43.05	362.58	7.23	-35.82
CCC1=CC=CC(CC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226250	1	47	-1.0	-43.04	362.64	7.24	-35.80
CCC1=CC=CC(CC)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226251	0	44	-1.0	-53.64	345.62	6.13	-47.51
CCC1=CC=CC(CC)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226251	1	44	-1.0	-53.60	345.68	6.16	-47.44
CCC1=CC=CC(CC)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020226252	0	47	-1.0	-46.95	389.10	6.10	-40.85
CCC1=CC=CC(CC)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020226252	1	47	-1.0	-46.96	389.16	6.11	-40.85
CCC1=CC=CC(CC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226253	0	44	-1.0	-44.22	349.63	6.35	-37.87
CCC1=CC=CC(CC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226253	1	44	-1.0	-44.22	349.70	6.35	-37.87
CCC1=CC=CC(CC)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226254	0	50	-1.0	-42.44	362.83	6.40	-36.04
CCC1=CC=CC(CC)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226254	1	50	-1.0	-42.43	362.83	6.40	-36.03
CCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020226255	0	35	-2.0	-92.55	324.78	2.49	-90.06
CCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020226255	1	35	-2.0	-92.52	324.72	2.46	-90.06
CCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020226256	0	35	-2.0	-94.72	307.76	2.35	-92.37
CCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020226256	1	35	-2.0	-94.73	307.82	2.36	-92.37
CCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020226257	0	35	-2.0	-107.79	333.71	1.05	-106.74
CCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020226257	1	35	-2.0	-107.78	333.76	1.06	-106.72
CCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020226258	0	38	-2.0	-115.48	316.26	3.21	-112.27
CCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020226258	1	38	-2.0	-115.48	316.31	3.22	-112.26
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1[N+](=O)[O-]	REAL300020226259	0	40	-1.0	-42.84	344.07	6.25	-36.59
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1[N+](=O)[O-]	REAL300020226259	1	40	-1.0	-42.82	344.01	6.23	-36.59
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1[N+](=O)[O-]	REAL300020226260	0	40	-1.0	-42.40	325.41	5.75	-36.65
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1[N+](=O)[O-]	REAL300020226260	1	40	-1.0	-42.45	325.47	5.76	-36.69
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300020226261	0	37	-1.0	-49.82	311.22	4.85	-44.97
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300020226261	1	37	-1.0	-49.86	311.27	4.86	-45.00
CSCC[C@H](NC(=O)NC1=CC=CC([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020226262	0	40	-1.0	-43.79	352.01	4.70	-39.09
CSCC[C@H](NC(=O)NC1=CC=CC([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020226262	1	40	-1.0	-43.78	352.07	4.71	-39.07
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020226263	0	37	-1.0	-41.94	312.72	4.91	-37.03
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020226263	1	37	-1.0	-41.96	312.79	4.92	-37.04
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300020226264	0	43	-1.0	-40.77	334.98	5.87	-34.90
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300020226264	1	43	-1.0	-40.81	335.02	5.86	-34.95
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1OC1=CC=CC=C1	REAL300020226265	0	46	-1.0	-41.51	389.26	7.76	-33.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1OC1=CC=CC=C1	REAL300020226265	1	46	-1.0	-41.54	389.20	7.73	-33.81
O=C(NC1=CC=CC=C1OC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226266	0	46	-1.0	-42.68	371.63	7.28	-35.40
O=C(NC1=CC=CC=C1OC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226266	1	46	-1.0	-42.68	371.68	7.30	-35.38
O=C(NC1=CC=CC=C1OC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226267	0	43	-1.0	-53.83	357.67	6.31	-47.52
O=C(NC1=CC=CC=C1OC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226267	1	43	-1.0	-53.89	357.73	6.34	-47.55
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020226268	0	46	-1.0	-47.49	400.91	6.23	-41.26
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020226268	1	46	-1.0	-47.43	400.97	6.25	-41.18
O=C(NC1=CC=CC=C1OC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226269	0	43	-1.0	-42.65	358.53	6.49	-36.16
O=C(NC1=CC=CC=C1OC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226269	1	43	-1.0	-42.60	358.61	6.49	-36.11
O=C(NC1=CC=CC=C1OC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226270	0	49	-1.0	-48.51	379.36	8.16	-40.35
O=C(NC1=CC=CC=C1OC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226270	1	49	-1.0	-48.56	379.40	8.19	-40.37
COC1=CC(Cl)=C(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226271	0	42	-1.0	-51.16	366.13	5.31	-45.85
COC1=CC(Cl)=C(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226271	1	42	-1.0	-51.15	366.07	5.28	-45.87
COC1=CC(Cl)=C(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226272	0	42	-1.0	-42.23	348.48	4.78	-37.45
COC1=CC(Cl)=C(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226272	1	42	-1.0	-42.23	348.53	4.80	-37.43
COC1=CC(Cl)=C(C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226273	0	39	-1.0	-52.28	332.71	3.90	-48.38
COC1=CC(Cl)=C(C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226273	1	39	-1.0	-52.26	332.77	3.92	-48.34
COC1=CC(Cl)=C(C)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020226274	0	42	-1.0	-45.30	376.27	3.86	-41.44
COC1=CC(Cl)=C(C)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020226274	1	42	-1.0	-45.35	376.33	3.87	-41.48
COC1=CC(Cl)=C(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226275	0	39	-1.0	-41.94	333.28	3.96	-37.98
COC1=CC(Cl)=C(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226275	1	39	-1.0	-41.91	333.36	3.97	-37.94
COC1=CC(Cl)=C(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226276	0	45	-1.0	-42.03	362.07	4.99	-37.04
COC1=CC(Cl)=C(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226276	1	45	-1.0	-42.05	362.12	5.01	-37.04
COC1=CC=C(C(C)(C)C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226277	0	51	-1.0	-54.28	407.82	6.52	-47.76
COC1=CC=C(C(C)(C)C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226277	1	51	-1.0	-54.26	407.76	6.50	-47.76
COC1=CC=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226278	0	51	-1.0	-44.32	387.67	6.07	-38.25
COC1=CC=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226278	1	51	-1.0	-44.32	387.73	6.08	-38.24
COC1=CC=C(C(C)(C)C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226279	0	48	-1.0	-55.41	372.65	5.13	-50.28
COC1=CC=C(C(C)(C)C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226279	1	48	-1.0	-55.46	372.71	5.15	-50.31
COC1=CC=C(C(C)(C)C)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020226280	0	51	-1.0	-48.53	416.98	5.07	-43.46
COC1=CC=C(C(C)(C)C)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020226280	1	51	-1.0	-48.56	417.04	5.09	-43.47
COC1=CC=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226281	0	48	-1.0	-44.75	374.82	5.16	-39.59
COC1=CC=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226281	1	48	-1.0	-44.75	374.90	5.17	-39.58
COC1=CC=C(C(C)(C)C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226282	0	54	-1.0	-45.95	402.78	6.23	-39.72
COC1=CC=C(C(C)(C)C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226282	1	54	-1.0	-45.93	402.83	6.24	-39.69
CC1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226283	0	38	-1.0	-50.68	330.17	5.56	-45.12
CC1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226283	1	38	-1.0	-50.70	330.11	5.54	-45.16
CC1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226284	0	38	-1.0	-42.61	311.53	5.06	-37.55
CC1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226284	1	38	-1.0	-42.63	311.59	5.07	-37.56
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1F)C1=N[N-]N=N1	REAL300020226285	0	38	-1.0	-45.96	339.34	4.14	-41.82
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1F)C1=NN=N[N-]1	REAL300020226285	1	38	-1.0	-45.96	339.40	4.16	-41.80
CC1=CC=C(F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226286	0	41	-1.0	-47.98	319.00	5.95	-42.03
CC1=CC=C(F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226286	1	41	-1.0	-47.98	319.06	5.95	-42.03
CC1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226287	0	38	-1.0	-56.05	338.37	6.20	-49.85
CC1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226287	1	38	-1.0	-56.05	338.31	6.17	-49.88
CC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226288	0	38	-1.0	-43.98	317.11	5.62	-38.36
CC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226288	1	38	-1.0	-43.99	317.16	5.63	-38.36
CC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226289	0	35	-1.0	-54.40	303.03	4.75	-49.65
CC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226289	1	35	-1.0	-54.42	303.09	4.77	-49.65
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1C)C1=N[N-]N=N1	REAL300020226290	0	38	-1.0	-47.06	347.53	4.77	-42.29
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1C)C1=NN=N[N-]1	REAL300020226290	1	38	-1.0	-47.09	347.59	4.78	-42.31
CC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226291	0	35	-1.0	-45.33	304.36	4.80	-40.53
CC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226291	1	35	-1.0	-45.33	304.44	4.82	-40.51
CC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226292	0	41	-1.0	-50.07	325.95	6.51	-43.56
CC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226292	1	41	-1.0	-50.10	326.01	6.52	-43.58
CC1=CC=CC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226293	0	41	-1.0	-48.14	340.14	6.29	-41.85
CC1=CC=CC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226293	1	41	-1.0	-48.14	340.08	6.26	-41.88
CC1=CC=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226294	0	41	-1.0	-42.89	320.34	5.80	-37.09
CC1=CC=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226294	1	41	-1.0	-42.88	320.40	5.82	-37.06
CSCC[C@H](NC(=O)NC1=C(C)C=CC=C1C)C1=N[N-]N=N1	REAL300020226295	0	41	-1.0	-47.85	349.89	4.83	-43.02
CSCC[C@H](NC(=O)NC1=C(C)C=CC=C1C)C1=NN=N[N-]1	REAL300020226295	1	41	-1.0	-47.80	349.94	4.85	-42.95
CC1=CC=CC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226296	0	44	-1.0	-49.19	333.55	6.65	-42.54
CC1=CC=CC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226296	1	44	-1.0	-49.23	333.57	6.65	-42.58
O=C(NC1=CC=C(OC(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226297	0	39	-1.0	-50.41	342.12	4.39	-46.02
O=C(NC1=CC=C(OC(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226297	1	39	-1.0	-50.39	342.06	4.37	-46.02
O=C(NC1=CC=C(OC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226298	0	39	-1.0	-47.67	321.87	3.88	-43.79
O=C(NC1=CC=C(OC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226298	1	39	-1.0	-47.65	321.93	3.89	-43.76
O=C(NC1=CC=C(OC(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226299	0	36	-1.0	-54.03	308.02	2.94	-51.09
O=C(NC1=CC=C(OC(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226299	1	36	-1.0	-54.06	308.08	2.94	-51.12
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL300020226300	0	39	-1.0	-48.95	351.56	2.90	-46.05
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL300020226300	1	39	-1.0	-48.97	351.61	2.91	-46.06
O=C(NC1=CC=C(OC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226301	0	36	-1.0	-47.71	309.44	2.99	-44.72
O=C(NC1=CC=C(OC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226301	1	36	-1.0	-47.67	309.52	3.00	-44.67
O=C(NC1=CC=C(OC(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226302	0	42	-1.0	-52.90	331.32	4.76	-48.14
O=C(NC1=CC=C(OC(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226302	1	42	-1.0	-52.97	331.37	4.77	-48.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1OC(F)F	REAL300020226303	0	39	-1.0	-42.74	340.48	4.48	-38.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1OC(F)F	REAL300020226303	1	39	-1.0	-42.76	340.42	4.46	-38.30
O=C(NC1=CC=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226304	0	39	-1.0	-44.86	321.69	4.00	-40.86
O=C(NC1=CC=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226304	1	39	-1.0	-44.85	321.75	4.02	-40.83
O=C(NC1=CC=CC=C1OC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020226305	0	36	-1.0	-54.99	307.06	3.06	-51.93
O=C(NC1=CC=CC=C1OC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020226305	1	36	-1.0	-54.97	307.11	3.09	-51.88
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020226306	0	39	-1.0	-47.98	349.78	3.03	-44.95
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020226306	1	39	-1.0	-48.00	349.84	3.05	-44.95
O=C(NC1=CC=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020226307	0	36	-1.0	-44.42	307.62	3.14	-41.28
O=C(NC1=CC=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020226307	1	36	-1.0	-44.44	307.69	3.14	-41.30
O=C(NC1=CC=CC=C1OC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020226308	0	42	-1.0	-42.41	333.93	4.22	-38.19
O=C(NC1=CC=CC=C1OC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020226308	1	42	-1.0	-42.41	333.98	4.22	-38.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(OC(F)F)C(Cl)=C1	REAL300020226309	0	39	-1.0	-57.01	358.54	4.86	-52.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(OC(F)F)C(Cl)=C1	REAL300020226309	1	39	-1.0	-56.99	358.60	4.89	-52.10
O=C(NC1=CC=C(OC(F)F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226310	0	39	-1.0	-46.02	339.34	4.40	-41.62
O=C(NC1=CC=C(OC(F)F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226310	1	39	-1.0	-46.09	339.39	4.42	-41.67
O=C(NC1=CC=C(OC(F)F)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226311	0	36	-1.0	-56.94	323.76	3.52	-53.42
O=C(NC1=CC=C(OC(F)F)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226311	1	36	-1.0	-56.92	323.82	3.54	-53.38
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020226312	0	39	-1.0	-48.24	367.30	3.48	-44.76
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020226312	1	39	-1.0	-48.27	367.36	3.49	-44.78
O=C(NC1=CC=C(OC(F)F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226313	0	36	-1.0	-46.29	325.17	3.58	-42.71
O=C(NC1=CC=C(OC(F)F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226313	1	36	-1.0	-46.33	325.24	3.59	-42.74
O=C(NC1=CC=C(OC(F)F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226314	0	42	-1.0	-41.48	353.82	4.59	-36.89
O=C(NC1=CC=C(OC(F)F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226314	1	42	-1.0	-41.46	353.88	4.61	-36.85
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(F)C=C2CCC(=O)NC2=C1	REAL300020226315	0	43	-1.0	-57.42	367.62	4.09	-53.33
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(F)C=C2CCC(=O)NC2=C1	REAL300020226315	1	43	-1.0	-57.37	367.56	4.06	-53.31
O=C(NC1=C(F)C=C2CCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226316	0	43	-1.0	-46.74	348.36	3.64	-43.10
O=C(NC1=C(F)C=C2CCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226316	1	43	-1.0	-46.77	348.42	3.65	-43.12
O=C(NC1=C(F)C=C2CCC(=O)NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226317	0	40	-1.0	-55.98	333.42	2.68	-53.30
O=C(NC1=C(F)C=C2CCC(=O)NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226317	1	40	-1.0	-55.99	333.48	2.70	-53.29
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1F)CCC(=O)N2)C1=N[N-]N=N1	REAL300020226318	0	43	-1.0	-49.70	377.76	2.66	-47.04
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1F)CCC(=O)N2)C1=NN=N[N-]1	REAL300020226318	1	43	-1.0	-49.69	377.82	2.68	-47.01
O=C(NC1=C(F)C=C2CCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226319	0	40	-1.0	-46.91	334.81	2.72	-44.19
O=C(NC1=C(F)C=C2CCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226319	1	40	-1.0	-46.97	334.88	2.74	-44.23
O=C(NC1=C(F)C=C2CCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226320	0	46	-1.0	-45.34	363.57	3.76	-41.58
O=C(NC1=C(F)C=C2CCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226320	1	46	-1.0	-45.38	363.62	3.79	-41.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2CCOC2=O)=C1	REAL300020226321	0	44	-1.0	-58.64	371.85	4.86	-53.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2CCOC2=O)=C1	REAL300020226321	1	44	-1.0	-58.63	371.79	4.84	-53.79
O=C(NC1=CC=CC(N2CCOC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226322	0	44	-1.0	-53.77	352.92	4.33	-49.44
O=C(NC1=CC=CC(N2CCOC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226322	1	44	-1.0	-53.77	352.97	4.35	-49.42
O=C(NC1=CC(N2CCOC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226323	0	41	-1.0	-60.80	337.22	3.45	-57.35
O=C(NC1=CC(N2CCOC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226323	1	41	-1.0	-60.79	337.28	3.47	-57.32
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCOC2=O)=C1)C1=N[N-]N=N1	REAL300020226324	0	44	-1.0	-54.76	381.04	3.39	-51.37
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCOC2=O)=C1)C1=NN=N[N-]1	REAL300020226324	1	44	-1.0	-54.82	381.10	3.40	-51.42
O=C(NC1=CC=CC(N2CCOC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226325	0	41	-1.0	-51.86	338.61	3.51	-48.35
O=C(NC1=CC=CC(N2CCOC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226325	1	41	-1.0	-51.90	338.68	3.51	-48.39
O=C(NC1=CC(N2CCOC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226326	0	47	-1.0	-58.11	367.28	4.53	-53.58
O=C(NC1=CC(N2CCOC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226326	1	47	-1.0	-58.10	367.33	4.56	-53.54
O=C(NC1=CC=CC=C1N1CCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226327	0	51	-1.0	-43.31	404.48	9.34	-33.97
O=C(NC1=CC=CC=C1N1CCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226327	1	51	-1.0	-43.35	404.53	9.36	-33.99
O=C(NC1=CC=CC=C1N1CCC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300020226328	0	48	-1.0	-52.15	389.05	8.43	-43.72
O=C(NC1=CC=CC=C1N1CCC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300020226328	1	48	-1.0	-52.20	389.11	8.44	-43.76
O=C(NC1=CC=CC=C1N1CCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020226329	0	48	-1.0	-42.35	391.25	8.40	-33.95
O=C(NC1=CC=CC=C1N1CCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020226329	1	48	-1.0	-42.32	391.32	8.42	-33.90
CC1=CC(C2=CC=CC=C2)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226330	0	48	-1.0	-46.09	395.76	9.14	-36.95
CC1=CC(C2=CC=CC=C2)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226330	1	48	-1.0	-46.07	395.70	9.12	-36.95
CC1=CC(C2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226331	0	48	-1.0	-45.57	375.29	8.52	-37.05
CC1=CC(C2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226331	1	48	-1.0	-45.59	375.34	8.54	-37.05
CC1=CC(C2=CC=CC=C2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226332	0	45	-1.0	-57.87	360.27	7.66	-50.21
CC1=CC(C2=CC=CC=C2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226332	1	45	-1.0	-57.89	360.32	7.69	-50.20
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1C)C1=N[N-]N=N1	REAL300020226333	0	48	-1.0	-47.78	403.95	7.60	-40.18
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1C)C1=NN=N[N-]1	REAL300020226333	1	48	-1.0	-47.78	404.01	7.62	-40.16
CC1=CC(C2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226334	0	45	-1.0	-45.40	361.76	7.70	-37.70
CC1=CC(C2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226334	1	45	-1.0	-45.38	361.83	7.72	-37.66
CC1=CC(C2=CC=CC=C2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226335	0	51	-1.0	-52.23	384.25	9.55	-42.68
CC1=CC(C2=CC=CC=C2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226335	1	51	-1.0	-52.25	384.31	9.55	-42.70
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C2=CC=CC=C2)C=C1F	REAL300020226336	0	45	-1.0	-43.12	382.88	8.35	-34.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C2=CC=CC=C2)C=C1F	REAL300020226336	1	45	-1.0	-43.13	382.83	8.32	-34.81
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226337	0	45	-1.0	-42.83	362.60	7.83	-35.00
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226337	1	45	-1.0	-42.87	362.65	7.85	-35.02
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020226338	0	42	-1.0	-51.50	347.73	6.89	-44.61
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020226338	1	42	-1.0	-51.49	347.79	6.92	-44.57
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1F)C1=N[N-]N=N1	REAL300020226339	0	45	-1.0	-45.32	391.25	6.87	-38.45
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1F)C1=NN=N[N-]1	REAL300020226339	1	45	-1.0	-45.34	391.30	6.89	-38.45
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020226340	0	42	-1.0	-42.37	349.90	6.95	-35.42
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020226340	1	42	-1.0	-42.42	349.97	6.97	-35.45
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020226341	0	48	-1.0	-48.58	371.54	8.80	-39.78
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020226341	1	48	-1.0	-48.54	371.59	8.80	-39.74
O=C(NC1=CC=C(S(=O)(=O)C2CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226342	0	48	-1.0	-60.12	394.36	3.78	-56.34
O=C(NC1=CC=C(S(=O)(=O)C2CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226342	1	48	-1.0	-60.09	394.42	3.80	-56.29
O=C(NC1=CC=C(S(=O)(=O)C2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226343	0	48	-1.0	-50.61	393.70	3.76	-46.85
O=C(NC1=CC=C(S(=O)(=O)C2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226343	1	48	-1.0	-50.66	393.77	3.76	-46.90
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1N(C)C	REAL300020226344	0	46	-1.0	-53.97	377.81	5.43	-48.54
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1N(C)C	REAL300020226344	1	46	-1.0	-54.00	377.75	5.41	-48.59
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N(C)C	REAL300020226345	0	46	-1.0	-42.63	357.37	4.97	-37.66
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N(C)C	REAL300020226345	1	46	-1.0	-42.64	357.42	4.98	-37.66
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N(C)C	REAL300020226346	0	43	-1.0	-52.95	343.40	4.01	-48.94
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N(C)C	REAL300020226346	1	43	-1.0	-52.97	343.46	4.03	-48.94
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300020226347	0	46	-1.0	-48.60	386.93	3.98	-44.62
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300020226347	1	46	-1.0	-48.54	386.98	3.99	-44.55
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N(C)C	REAL300020226348	0	43	-1.0	-43.73	344.95	4.07	-39.66
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N(C)C	REAL300020226348	1	43	-1.0	-43.75	345.02	4.08	-39.67
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N(C)C	REAL300020226349	0	49	-1.0	-41.36	371.20	5.11	-36.25
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N(C)C	REAL300020226349	1	49	-1.0	-41.37	371.24	5.12	-36.25
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226350	0	41	-1.0	-64.46	359.86	4.85	-59.61
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226350	1	41	-1.0	-64.46	359.80	4.83	-59.63
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226351	0	41	-1.0	-50.41	341.23	4.35	-46.06
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226351	1	41	-1.0	-50.45	341.28	4.36	-46.09
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226352	0	38	-1.0	-60.70	324.69	3.47	-57.23
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226352	1	38	-1.0	-60.73	324.75	3.49	-57.24
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020226353	0	41	-1.0	-52.33	369.03	3.42	-48.91
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020226353	1	41	-1.0	-52.33	369.08	3.44	-48.89
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226354	0	38	-1.0	-50.45	326.87	3.51	-46.94
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226354	1	38	-1.0	-50.45	326.94	3.52	-46.93
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226355	0	44	-1.0	-42.73	352.49	4.62	-38.11
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226355	1	44	-1.0	-42.75	352.53	4.62	-38.13
CC1=CC(N2CCOCC2)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226356	0	51	-1.0	-46.05	405.62	4.53	-41.52
CC1=CC(N2CCOCC2)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226356	1	51	-1.0	-46.03	405.57	4.51	-41.52
CC1=CC(N2CCOCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226357	0	51	-1.0	-44.69	384.94	3.92	-40.77
CC1=CC(N2CCOCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226357	1	51	-1.0	-44.69	385.00	3.94	-40.75
CC1=CC(N2CCOCC2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226358	0	48	-1.0	-57.55	370.15	3.05	-54.50
CC1=CC(N2CCOCC2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226358	1	48	-1.0	-57.50	370.20	3.08	-54.42
CSCC[C@H](NC(=O)NC1=CC=C(N2CCOCC2)C=C1C)C1=N[N-]N=N1	REAL300020226359	0	51	-1.0	-47.77	413.82	2.99	-44.78
CSCC[C@H](NC(=O)NC1=CC=C(N2CCOCC2)C=C1C)C1=NN=N[N-]1	REAL300020226359	1	51	-1.0	-47.77	413.88	3.00	-44.77
CC1=CC(N2CCOCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226360	0	48	-1.0	-45.41	371.68	3.11	-42.30
CC1=CC(N2CCOCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226360	1	48	-1.0	-45.42	371.76	3.12	-42.30
CC1=CC(N2CCOCC2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226361	0	54	-1.0	-52.18	394.12	4.95	-47.23
CC1=CC(N2CCOCC2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226361	1	54	-1.0	-52.14	394.18	4.95	-47.19
O=C(NC1=NC=C(CC2=CC=CC=C2Cl)S1)N1CCCC1C1=NN=N[N-]1	REAL300020226362	0	41	-1.0	-58.75	369.95	6.94	-51.81
O=C(NC1=NC=C(CC2=CC=CC=C2Cl)S1)N1CCCC1C1=N[N-]N=N1	REAL300020226362	1	41	-1.0	-58.78	369.90	6.91	-51.87
O=C(NC1=NC=C(CC2=CC=CC=C2Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226363	0	41	-1.0	-48.21	371.40	6.99	-41.22
O=C(NC1=NC=C(CC2=CC=CC=C2Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226363	1	41	-1.0	-48.21	371.32	6.97	-41.24
CC1CN(CC2=CSC(NC(=O)N3CCCC3C3=N[N-]N=N3)=N2)CC(C)O1	REAL300020226364	0	50	-1.0	-48.93	404.22	1.87	-47.06
CC1CN(CC2=CSC(NC(=O)N3CCCC3C3=NN=N[N-]3)=N2)CC(C)O1	REAL300020226364	1	50	-1.0	-48.93	404.28	1.88	-47.05
CC1CN(CC2=CSC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)CC(C)O1	REAL300020226364	1	49	-2.0	-109.01	402.81	0.82	-108.19
CC1CN(CC2=CSC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)CC(C)O1	REAL300020226364	1	49	-2.0	-108.97	402.87	0.84	-108.13
CC1CN(CC2=CSC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)CC(C)O1	REAL300020226365	0	50	-1.0	-41.02	405.65	1.93	-39.09
CC1CN(CC2=CSC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)CC(C)O1	REAL300020226365	1	50	-1.0	-41.07	405.72	1.94	-39.13
CC1CN(CC2=CSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)CC(C)O1	REAL300020226365	1	49	-2.0	-89.86	403.53	1.16	-88.70
O=C(NC1=NC=C(CC2=CC=C(F)C(F)=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020226366	0	41	-1.0	-61.37	371.00	6.72	-54.65
O=C(NC1=NC=C(CC2=CC=C(F)C(F)=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020226366	1	41	-1.0	-61.35	370.95	6.70	-54.65
O=C(NC1=NC=C(CC2=CC=C(F)C(F)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226367	0	41	-1.0	-52.50	372.49	6.78	-45.72
O=C(NC1=NC=C(CC2=CC=C(F)C(F)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226367	1	41	-1.0	-52.45	372.41	6.76	-45.69
N#CC1=CC=C(CC2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)C=C1	REAL300020226368	0	45	-1.0	-52.00	394.57	7.89	-44.11
N#CC1=CC=C(CC2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)C=C1	REAL300020226368	1	45	-1.0	-52.03	394.52	7.88	-44.15
N#CC1=CC=C(CC2=CN=C(NC(=O)N3CCCC3C3=NN=N[N-]3)S2)C=C1	REAL300020226369	0	42	-1.0	-62.05	379.14	6.99	-55.06
N#CC1=CC=C(CC2=CN=C(NC(=O)N3CCCC3C3=N[N-]N=N3)S2)C=C1	REAL300020226369	1	42	-1.0	-62.02	379.08	6.98	-55.04
N#CC1=CC=C(CC2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020226370	0	42	-1.0	-52.27	380.63	7.05	-45.22
N#CC1=CC=C(CC2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020226370	1	42	-1.0	-52.22	380.56	7.03	-45.19
O=C([N-]C1=NN=C(C(F)(F)F)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226371	0	32	-2.0	-82.78	322.74	2.15	-80.63
O=C([N-]C1=NN=C(C(F)(F)F)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226371	1	32	-2.0	-82.76	322.68	2.13	-80.63
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226372	0	32	-2.0	-85.04	305.78	2.02	-83.02
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226372	1	32	-2.0	-85.06	305.72	2.00	-83.06
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020226373	0	29	-2.0	-106.78	289.90	0.89	-105.89
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020226373	1	29	-2.0	-106.80	289.96	0.92	-105.88
CSCC[C@H](NC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL300020226374	0	32	-2.0	-96.68	331.67	0.70	-95.98
CSCC[C@H](NC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL300020226374	1	32	-2.0	-96.65	331.72	0.71	-95.94
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226375	0	29	-2.0	-86.25	290.72	0.95	-85.30
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226375	1	29	-2.0	-86.29	290.64	0.93	-85.36
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226376	0	35	-2.0	-104.04	314.35	3.00	-101.04
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226376	1	35	-2.0	-104.03	314.30	2.99	-101.04
COC1=CC=C(C2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2OC)C=C1	REAL300020226377	0	50	-1.0	-57.72	406.46	5.72	-52.00
COC1=CC=C(C2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2OC)C=C1	REAL300020226377	1	50	-1.0	-57.72	406.52	5.73	-51.99
COC1=CC=C(C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2OC)C=C1	REAL300020226378	0	50	-1.0	-48.94	407.84	5.76	-43.18
COC1=CC=C(C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2OC)C=C1	REAL300020226378	1	50	-1.0	-48.95	407.91	5.78	-43.17
O=C(NC1=CC=C(OCC(F)(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226379	0	42	-1.0	-57.41	374.19	5.41	-52.00
O=C(NC1=CC=C(OCC(F)(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226379	1	42	-1.0	-57.42	374.25	5.44	-51.98
O=C(NC1=CC=C(OCC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226380	0	42	-1.0	-44.20	353.55	5.02	-39.18
O=C(NC1=CC=C(OCC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226380	1	42	-1.0	-44.20	353.60	5.03	-39.17
O=C(NC1=CC=C(OCC(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226381	0	39	-1.0	-55.09	339.70	4.04	-51.05
O=C(NC1=CC=C(OCC(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226381	1	39	-1.0	-55.10	339.76	4.06	-51.04
CSCC[C@H](NC(=O)NC1=CC=C(OCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020226382	0	42	-1.0	-51.41	383.23	4.01	-47.40
CSCC[C@H](NC(=O)NC1=CC=C(OCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020226382	1	42	-1.0	-51.38	383.28	4.02	-47.36
O=C(NC1=CC=C(OCC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226383	0	39	-1.0	-44.31	341.12	4.10	-40.21
O=C(NC1=CC=C(OCC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226383	1	39	-1.0	-44.30	341.19	4.11	-40.19
O=C(NC1=CC=C(OCC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226384	0	45	-1.0	-48.16	362.99	5.87	-42.29
O=C(NC1=CC=C(OCC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226384	1	45	-1.0	-48.19	363.04	5.88	-42.31
O=C(NC1=CC2=C(C=C1Cl)OCCCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226385	0	44	-1.0	-43.41	360.27	4.86	-38.55
O=C(NC1=CC2=C(C=C1Cl)OCCCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226385	1	44	-1.0	-43.43	360.33	4.88	-38.55
O=C(NC1=CC2=C(C=C1Cl)OCCCO2)N1CCCC1C1=N[N-]N=N1	REAL300020226386	0	41	-1.0	-54.83	345.42	3.94	-50.89
O=C(NC1=CC2=C(C=C1Cl)OCCCO2)N1CCCC1C1=NN=N[N-]1	REAL300020226386	1	41	-1.0	-54.79	345.47	3.96	-50.83
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1Cl)OCCCO2)C1=N[N-]N=N1	REAL300020226387	0	44	-1.0	-48.08	388.94	3.89	-44.19
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1Cl)OCCCO2)C1=NN=N[N-]1	REAL300020226387	1	44	-1.0	-48.04	388.99	3.91	-44.13
O=C(NC1=CC2=C(C=C1Cl)OCCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020226388	0	41	-1.0	-44.44	346.78	4.00	-40.44
O=C(NC1=CC2=C(C=C1Cl)OCCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020226388	1	41	-1.0	-44.46	346.85	4.00	-40.46
O=C(NC1=CC2=C(C=C1Cl)OCCCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020226389	0	47	-1.0	-41.69	375.48	5.01	-36.68
O=C(NC1=CC2=C(C=C1Cl)OCCCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020226389	1	47	-1.0	-41.67	375.53	5.02	-36.65
O=C(NC1=CC=C(OC2CCCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226390	0	49	-1.0	-42.67	397.46	6.95	-35.72
O=C(NC1=CC=C(OC2CCCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226390	1	49	-1.0	-42.70	397.40	6.93	-35.77
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226391	0	49	-1.0	-44.73	379.52	6.52	-38.21
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226391	1	49	-1.0	-44.73	379.57	6.53	-38.20
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226392	0	46	-1.0	-53.51	363.06	5.60	-47.91
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226392	1	46	-1.0	-53.52	363.12	5.62	-47.90
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCCC2)C=C1)C1=N[N-]N=N1	REAL300020226393	0	49	-1.0	-47.74	406.74	5.56	-42.18
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCCC2)C=C1)C1=NN=N[N-]1	REAL300020226393	1	49	-1.0	-47.75	406.80	5.58	-42.17
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226394	0	46	-1.0	-43.96	364.61	5.65	-38.31
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226394	1	46	-1.0	-43.95	364.68	5.66	-38.29
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226395	0	52	-1.0	-49.99	386.26	7.39	-42.60
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226395	1	52	-1.0	-49.96	386.31	7.39	-42.57
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(OC2CCCC2)=C1	REAL300020226396	0	49	-1.0	-60.11	397.43	6.95	-53.16
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(OC2CCCC2)=C1	REAL300020226396	1	49	-1.0	-60.07	397.37	6.93	-53.14
O=C(NC1=CC=CC(OC2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226397	0	49	-1.0	-43.55	376.67	6.52	-37.03
O=C(NC1=CC=CC(OC2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226397	1	49	-1.0	-43.58	376.73	6.53	-37.05
O=C(NC1=CC=CC(OC2CCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226398	0	46	-1.0	-62.24	362.70	5.59	-56.65
O=C(NC1=CC=CC(OC2CCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226398	1	46	-1.0	-62.27	362.76	5.60	-56.67
CSCC[C@H](NC(=O)NC1=CC=CC(OC2CCCC2)=C1)C1=N[N-]N=N1	REAL300020226399	0	49	-1.0	-53.59	406.83	5.58	-48.01
CSCC[C@H](NC(=O)NC1=CC=CC(OC2CCCC2)=C1)C1=NN=N[N-]1	REAL300020226399	1	49	-1.0	-53.58	406.89	5.59	-47.99
O=C(NC1=CC=CC(OC2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226400	0	46	-1.0	-47.68	364.66	5.65	-42.03
O=C(NC1=CC=CC(OC2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226400	1	46	-1.0	-47.72	364.74	5.67	-42.05
O=C(NC1=CC=CC(OC2CCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226401	0	52	-1.0	-45.10	394.16	6.66	-38.44
O=C(NC1=CC=CC(OC2CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226401	1	52	-1.0	-45.11	394.21	6.68	-38.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1SC1CCCC1	REAL300020226402	0	49	-1.0	-41.63	401.30	8.56	-33.07
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1SC1CCCC1	REAL300020226402	1	49	-1.0	-41.61	401.24	8.54	-33.07
O=C(NC1=CC=CC=C1SC1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226403	0	49	-1.0	-43.30	383.02	8.08	-35.22
O=C(NC1=CC=CC=C1SC1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226403	1	49	-1.0	-43.32	383.07	8.10	-35.22
O=C(NC1=CC=CC=C1SC1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020226404	0	46	-1.0	-53.36	368.24	7.20	-46.16
O=C(NC1=CC=CC=C1SC1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020226404	1	46	-1.0	-53.38	368.30	7.22	-46.16
CSCC[C@H](NC(=O)NC1=CC=CC=C1SC1CCCC1)C1=N[N-]N=N1	REAL300020226405	0	49	-1.0	-47.20	410.63	7.12	-40.08
CSCC[C@H](NC(=O)NC1=CC=CC=C1SC1CCCC1)C1=NN=N[N-]1	REAL300020226405	1	49	-1.0	-47.18	410.68	7.13	-40.05
O=C(NC1=CC=CC=C1SC1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226406	0	46	-1.0	-43.45	369.37	7.21	-36.24
O=C(NC1=CC=CC=C1SC1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226406	1	46	-1.0	-43.45	369.44	7.23	-36.22
O=C(NC1=CC=CC=C1SC1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226407	0	52	-1.0	-44.19	394.27	8.24	-35.95
O=C(NC1=CC=CC=C1SC1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226407	1	52	-1.0	-44.21	394.23	8.26	-35.95
COC1=C(C)C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020226408	0	45	-1.0	-41.64	371.01	5.84	-35.80
COC1=C(C)C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020226408	1	45	-1.0	-41.60	370.95	5.81	-35.79
COC1=C(C)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020226409	0	45	-1.0	-43.48	353.49	5.41	-38.07
COC1=C(C)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020226409	1	45	-1.0	-43.44	353.54	5.43	-38.01
COC1=C(C)C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020226410	0	42	-1.0	-54.32	339.42	4.52	-49.80
COC1=C(C)C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020226410	1	42	-1.0	-54.31	339.48	4.53	-49.78
COC1=C(C)C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020226411	0	45	-1.0	-47.07	382.00	4.43	-42.64
COC1=C(C)C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020226411	1	45	-1.0	-47.09	382.06	4.44	-42.65
COC1=C(C)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020226412	0	42	-1.0	-43.65	339.80	4.51	-39.14
COC1=C(C)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020226412	1	42	-1.0	-43.66	339.87	4.53	-39.13
COC1=C(C)C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020226413	0	48	-1.0	-50.31	359.75	6.15	-44.16
COC1=C(C)C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020226413	1	48	-1.0	-50.29	359.80	6.16	-44.13
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC1CCCC1	REAL300020226414	0	53	-1.0	-44.96	407.61	6.35	-38.61
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC1CCCC1	REAL300020226414	1	53	-1.0	-45.02	407.66	6.36	-38.66
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC1CCCC1	REAL300020226415	0	50	-1.0	-54.19	392.14	5.45	-48.74
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC1CCCC1	REAL300020226415	1	50	-1.0	-54.20	392.20	5.47	-48.73
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC1CCCC1	REAL300020226416	0	50	-1.0	-44.75	394.27	5.54	-39.21
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC1CCCC1	REAL300020226416	1	50	-1.0	-44.70	394.34	5.55	-39.15
O=C(NC1=CC=C2OCOC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226417	0	38	-1.0	-48.94	328.94	3.50	-45.44
O=C(NC1=CC=C2OCOC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226417	1	38	-1.0	-48.89	328.88	3.47	-45.42
O=C(NC1=CC=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226418	0	38	-1.0	-46.38	310.15	2.93	-43.45
O=C(NC1=CC=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226418	1	38	-1.0	-46.36	310.20	2.95	-43.41
O=C(NC1=CC=C2OCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226419	0	35	-1.0	-57.17	294.85	2.02	-55.15
O=C(NC1=CC=C2OCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226419	1	35	-1.0	-57.15	294.91	2.02	-55.13
CSCC[C@H](NC(=O)NC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020226420	0	38	-1.0	-49.08	338.41	1.98	-47.10
CSCC[C@H](NC(=O)NC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020226420	1	38	-1.0	-49.06	338.46	1.99	-47.07
O=C(NC1=CC=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226421	0	35	-1.0	-48.52	296.22	2.08	-46.44
O=C(NC1=CC=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226421	1	35	-1.0	-48.56	296.29	2.08	-46.48
O=C(NC1=CC=C2OCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226422	0	41	-1.0	-40.97	324.62	3.13	-37.84
O=C(NC1=CC=C2OCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226422	1	41	-1.0	-41.06	324.67	3.15	-37.91
O=C(NC1=CC=C(SC(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226423	0	39	-1.0	-52.98	352.97	6.06	-46.92
O=C(NC1=CC=C(SC(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226423	1	39	-1.0	-52.97	352.92	6.03	-46.94
O=C(NC1=CC=C(SC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226424	0	39	-1.0	-46.35	332.44	5.58	-40.77
O=C(NC1=CC=C(SC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226424	1	39	-1.0	-46.37	332.50	5.59	-40.78
O=C(NC1=CC=C(SC(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226425	0	36	-1.0	-55.58	318.58	4.63	-50.95
O=C(NC1=CC=C(SC(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226425	1	36	-1.0	-55.56	318.63	4.64	-50.92
CSCC[C@H](NC(=O)NC1=CC=C(SC(F)F)C=C1)C1=N[N-]N=N1	REAL300020226426	0	39	-1.0	-51.52	362.10	4.59	-46.93
CSCC[C@H](NC(=O)NC1=CC=C(SC(F)F)C=C1)C1=NN=N[N-]1	REAL300020226426	1	39	-1.0	-51.51	362.16	4.60	-46.91
O=C(NC1=CC=C(SC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226427	0	36	-1.0	-46.47	319.99	4.69	-41.78
O=C(NC1=CC=C(SC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226427	1	36	-1.0	-46.46	320.06	4.69	-41.77
O=C(NC1=CC=C(SC(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226428	0	42	-1.0	-51.73	341.86	6.46	-45.27
O=C(NC1=CC=C(SC(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226428	1	42	-1.0	-51.71	341.91	6.46	-45.25
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020226429	0	49	-1.0	-67.40	394.41	5.91	-61.49
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020226429	1	49	-1.0	-67.39	394.46	5.93	-61.46
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020226430	0	46	-1.0	-77.79	380.79	5.99	-71.80
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020226430	1	46	-1.0	-77.78	380.85	6.00	-71.78
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020226431	0	46	-1.0	-65.44	380.44	5.72	-59.72
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020226431	1	46	-1.0	-65.42	380.52	5.74	-59.68
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020226432	0	52	-1.0	-58.32	394.81	6.93	-51.39
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020226432	1	52	-1.0	-58.37	394.85	6.94	-51.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2OCCOC2=C1	REAL300020226433	0	41	-1.0	-59.73	347.84	3.91	-55.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2OCCOC2=C1	REAL300020226433	1	41	-1.0	-59.71	347.78	3.88	-55.83
O=C(NC1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226434	0	41	-1.0	-45.42	328.77	3.41	-42.01
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COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=C1	REAL300020226444	1	40	-2.0	-94.96	346.23	3.75	-91.21
COC1=CC=C2N=C(NC(=O)N3CCCC3C3=NN=N[N-]3)SC2=C1	REAL300020226445	0	38	-1.0	-59.65	331.87	3.68	-55.97
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COC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)SC2=C1	REAL300020226445	1	37	-2.0	-117.75	330.40	2.62	-115.13
COC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)SC2=C1	REAL300020226445	1	37	-2.0	-117.81	330.46	2.65	-115.16
COC1=CC=C2N=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)SC2=C1	REAL300020226446	0	41	-1.0	-52.02	375.48	3.65	-48.37
COC1=CC=C2N=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)SC2=C1	REAL300020226446	1	41	-1.0	-52.06	375.42	3.64	-48.42
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COC1=CC=C2N=C([N-]C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)SC2=C1	REAL300020226446	1	40	-2.0	-107.65	372.23	2.47	-105.18
COC1=CC=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020226447	0	38	-1.0	-48.81	333.33	3.75	-45.06
COC1=CC=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020226447	1	38	-1.0	-48.79	333.26	3.74	-45.05
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020226447	1	37	-2.0	-96.33	331.22	2.70	-93.63
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020226447	1	37	-2.0	-96.38	331.15	2.68	-93.70
COC1=CC=C2N=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=C1	REAL300020226448	0	44	-1.0	-55.24	355.78	5.47	-49.77
COC1=CC=C2N=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=C1	REAL300020226448	1	44	-1.0	-55.20	355.73	5.46	-49.74
COC1=CC=C2N=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=C1	REAL300020226448	1	43	-2.0	-101.27	359.52	4.35	-96.92
COC1=CC=C2N=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=C1	REAL300020226448	1	43	-2.0	-101.32	359.46	4.33	-96.99
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226449	0	41	-1.0	-64.46	359.86	4.85	-59.61
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226449	1	41	-1.0	-64.46	359.80	4.83	-59.63
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226450	0	41	-1.0	-50.41	341.23	4.35	-46.06
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226450	1	41	-1.0	-50.45	341.28	4.36	-46.09
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226451	0	38	-1.0	-60.70	324.69	3.47	-57.23
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226451	1	38	-1.0	-60.73	324.75	3.49	-57.24
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020226452	0	41	-1.0	-52.33	369.03	3.42	-48.91
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020226452	1	41	-1.0	-52.33	369.08	3.44	-48.89
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226453	0	38	-1.0	-50.45	326.87	3.51	-46.94
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226453	1	38	-1.0	-50.45	326.94	3.52	-46.93
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226454	0	44	-1.0	-42.73	352.49	4.62	-38.11
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226454	1	44	-1.0	-42.75	352.53	4.62	-38.13
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(C(F)(F)F)=CC=C1Cl	REAL300020226455	0	38	-1.0	-53.31	355.77	6.40	-46.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(C(F)(F)F)=CC=C1Cl	REAL300020226455	1	38	-1.0	-53.33	355.83	6.42	-46.91
O=C(NC1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226456	0	38	-1.0	-42.69	336.33	5.94	-36.75
O=C(NC1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226456	1	38	-1.0	-42.73	336.39	5.96	-36.77
O=C(NC1=CC(C(F)(F)F)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020226457	0	35	-1.0	-53.72	322.18	5.02	-48.70
O=C(NC1=CC(C(F)(F)F)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020226457	1	35	-1.0	-53.73	322.24	5.04	-48.69
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=CC=C1Cl)C1=N[N-]N=N1	REAL300020226458	0	38	-1.0	-45.07	365.72	5.00	-40.07
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=CC=C1Cl)C1=NN=N[N-]1	REAL300020226458	1	38	-1.0	-45.07	365.78	5.01	-40.06
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O=C(NC1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020226459	1	35	-1.0	-42.72	322.73	5.06	-37.66
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O=C(NC1=CC(C(F)(F)F)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020226460	1	41	-1.0	-47.39	345.81	6.82	-40.57
CC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226461	0	40	-1.0	-55.12	343.79	5.26	-49.86
CC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226461	1	40	-1.0	-55.14	343.73	5.24	-49.90
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226462	0	40	-1.0	-49.79	324.46	4.67	-45.12
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226462	1	40	-1.0	-49.80	324.51	4.68	-45.12
CC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226463	0	37	-1.0	-52.78	311.24	3.86	-48.92
CC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226463	1	37	-1.0	-52.79	311.30	3.88	-48.91
CSCC[C@H](NC(=O)NC1=CC=C(C(C)=O)C=C1)C1=N[N-]N=N1	REAL300020226464	0	40	-1.0	-47.01	353.27	3.75	-43.26
CSCC[C@H](NC(=O)NC1=CC=C(C(C)=O)C=C1)C1=NN=N[N-]1	REAL300020226464	1	40	-1.0	-46.96	353.33	3.76	-43.20
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226465	0	37	-1.0	-44.51	310.37	3.83	-40.68
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226465	1	37	-1.0	-44.53	310.44	3.84	-40.69
CC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226466	0	43	-1.0	-49.30	332.61	5.62	-43.68
CC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226466	1	43	-1.0	-49.28	332.66	5.62	-43.66
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1Br	REAL300020226467	0	35	-1.0	-40.13	320.91	5.53	-34.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1Br	REAL300020226467	1	35	-1.0	-40.10	320.85	5.51	-34.59
O=C(NC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226468	0	35	-1.0	-41.79	302.13	5.05	-36.74
O=C(NC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226468	1	35	-1.0	-41.79	302.19	5.06	-36.73
O=C(NC1=CC=CC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020226469	0	32	-1.0	-51.53	287.59	4.15	-47.38
O=C(NC1=CC=CC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020226469	1	32	-1.0	-51.50	287.64	4.18	-47.32
CSCC[C@H](NC(=O)NC1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300020226470	0	35	-1.0	-44.75	330.22	4.10	-40.65
CSCC[C@H](NC(=O)NC1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300020226470	1	35	-1.0	-44.74	330.28	4.11	-40.63
O=C(NC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020226471	0	32	-1.0	-41.66	288.98	4.20	-37.46
O=C(NC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020226471	1	32	-1.0	-41.68	289.06	4.22	-37.46
O=C(NC1=CC=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020226472	0	38	-1.0	-47.29	310.52	6.04	-41.25
O=C(NC1=CC=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020226472	1	38	-1.0	-47.27	310.57	6.04	-41.23
O=C(NC1=CC=C(Br)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226473	0	35	-1.0	-40.90	324.62	5.38	-35.52
O=C(NC1=CC=C(Br)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226473	1	35	-1.0	-40.91	324.57	5.35	-35.56
O=C(NC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226474	0	35	-1.0	-42.56	305.56	4.90	-37.66
O=C(NC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226474	1	35	-1.0	-42.54	305.62	4.92	-37.62
O=C(NC1=CC=C(Br)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226475	0	32	-1.0	-53.05	289.77	4.01	-49.04
O=C(NC1=CC=C(Br)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226475	1	32	-1.0	-53.02	289.82	4.03	-48.99
CSCC[C@H](NC(=O)NC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020226476	0	35	-1.0	-46.57	333.60	3.95	-42.62
CSCC[C@H](NC(=O)NC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020226476	1	35	-1.0	-46.56	333.66	3.96	-42.60
O=C(NC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226477	0	32	-1.0	-42.57	291.12	4.06	-38.51
O=C(NC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226477	1	32	-1.0	-42.60	291.20	4.08	-38.52
O=C(NC1=CC=C(Br)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226478	0	38	-1.0	-47.02	313.34	5.83	-41.19
O=C(NC1=CC=C(Br)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226478	1	38	-1.0	-47.00	313.39	5.83	-41.17
O=C(NC1=CC=CC(Br)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226479	0	35	-1.0	-55.97	324.60	5.38	-50.59
O=C(NC1=CC=CC(Br)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226479	1	35	-1.0	-55.92	324.55	5.35	-50.57
O=C(NC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226480	0	35	-1.0	-44.52	304.17	4.95	-39.57
O=C(NC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226480	1	35	-1.0	-44.56	304.22	4.97	-39.59
O=C(NC1=CC=CC(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226481	0	32	-1.0	-56.95	289.80	4.02	-52.93
O=C(NC1=CC=CC(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226481	1	32	-1.0	-56.90	289.86	4.03	-52.87
CSCC[C@H](NC(=O)NC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300020226482	0	35	-1.0	-50.15	333.58	3.95	-46.20
CSCC[C@H](NC(=O)NC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300020226482	1	35	-1.0	-50.15	333.63	3.96	-46.19
O=C(NC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226483	0	32	-1.0	-41.63	291.42	4.04	-37.59
O=C(NC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226483	1	32	-1.0	-41.67	291.50	4.05	-37.62
O=C(NC1=CC=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226484	0	38	-1.0	-46.03	313.45	5.80	-40.23
O=C(NC1=CC=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226484	1	38	-1.0	-46.02	313.51	5.81	-40.21
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226485	0	38	-1.0	-53.78	324.57	5.47	-48.31
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226485	1	38	-1.0	-53.71	324.51	5.44	-48.27
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020226486	0	38	-1.0	-46.52	333.42	4.04	-42.48
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020226486	1	38	-1.0	-46.51	333.48	4.05	-42.46
CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226487	0	41	-1.0	-42.16	319.94	5.14	-37.02
CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226487	1	41	-1.0	-42.20	319.99	5.16	-37.04
CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226488	0	38	-1.0	-41.95	321.64	5.69	-36.26
CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226488	1	38	-1.0	-41.96	321.59	5.66	-36.30
CSCC[C@H](NC(=O)NC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020226489	0	38	-1.0	-46.69	330.80	4.25	-42.44
CSCC[C@H](NC(=O)NC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020226489	1	38	-1.0	-46.72	330.85	4.26	-42.46
CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226490	0	41	-1.0	-50.34	310.12	6.14	-44.20
CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226490	1	41	-1.0	-50.37	310.17	6.15	-44.22
COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226491	0	39	-1.0	-45.32	332.35	4.13	-41.19
COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226491	1	39	-1.0	-45.29	332.29	4.10	-41.19
COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226492	0	39	-1.0	-43.97	312.40	3.63	-40.34
COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226492	1	39	-1.0	-44.04	312.46	3.64	-40.40
COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020226493	0	39	-1.0	-46.82	341.53	2.66	-44.16
COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020226493	1	39	-1.0	-46.81	341.58	2.68	-44.13
COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226494	0	42	-1.0	-43.93	328.03	3.77	-40.16
COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226494	1	42	-1.0	-43.94	328.08	3.80	-40.14
COC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226495	0	39	-1.0	-42.26	330.72	4.21	-38.05
COC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226495	1	39	-1.0	-42.28	330.67	4.18	-38.10
COC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226496	0	39	-1.0	-43.57	311.18	3.72	-39.85
COC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226496	1	39	-1.0	-43.60	311.24	3.74	-39.86
COC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020226497	0	39	-1.0	-48.19	340.02	2.76	-45.43
COC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020226497	1	39	-1.0	-48.19	340.07	2.78	-45.41
COC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226498	0	42	-1.0	-43.46	324.12	3.96	-39.50
COC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226498	1	42	-1.0	-43.46	324.16	3.95	-39.51
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020226499	0	41	-1.0	-49.30	338.65	6.27	-43.03
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020226499	1	41	-1.0	-49.25	338.60	6.25	-43.00
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020226500	0	41	-1.0	-43.79	319.55	5.74	-38.05
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020226500	1	41	-1.0	-43.77	319.61	5.75	-38.02
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1C)C1=N[N-]N=N1	REAL300020226501	0	41	-1.0	-46.86	346.81	4.73	-42.13
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1C)C1=NN=N[N-]1	REAL300020226501	1	41	-1.0	-46.86	346.87	4.75	-42.11
CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020226502	0	44	-1.0	-49.99	327.62	6.56	-43.43
CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020226502	1	44	-1.0	-50.04	327.67	6.57	-43.47
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020226503	0	41	-1.0	-44.91	343.01	6.39	-38.52
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020226503	1	41	-1.0	-44.90	342.95	6.37	-38.53
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020226504	0	41	-1.0	-43.63	323.98	5.87	-37.76
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020226504	1	41	-1.0	-43.66	324.03	5.88	-37.78
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300020226505	0	41	-1.0	-46.71	351.24	4.86	-41.85
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300020226505	1	41	-1.0	-46.73	351.30	4.88	-41.85
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020226506	0	44	-1.0	-50.72	331.50	6.80	-43.92
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020226506	1	44	-1.0	-50.74	331.55	6.80	-43.94
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020226507	0	41	-1.0	-54.60	341.55	6.01	-48.59
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020226507	1	41	-1.0	-54.59	341.50	5.98	-48.61
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020226508	0	41	-1.0	-43.95	322.57	5.47	-38.48
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020226508	1	41	-1.0	-43.98	322.63	5.49	-38.49
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300020226509	0	41	-1.0	-46.89	350.70	4.54	-42.35
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300020226509	1	41	-1.0	-46.92	350.76	4.55	-42.37
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020226510	0	44	-1.0	-42.58	334.95	5.67	-36.91
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020226510	1	44	-1.0	-42.62	334.99	5.68	-36.94
O=C(NC1=CC=C(F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226511	0	35	-1.0	-53.34	309.73	4.82	-48.52
O=C(NC1=CC=C(F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226511	1	35	-1.0	-53.30	309.67	4.80	-48.50
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020226512	0	35	-1.0	-47.02	318.73	3.39	-43.63
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020226512	1	35	-1.0	-47.09	318.78	3.41	-43.68
O=C(NC1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226513	0	38	-1.0	-47.50	298.47	5.26	-42.24
O=C(NC1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226513	1	38	-1.0	-47.50	298.52	5.26	-42.24
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226514	0	42	-1.0	-50.17	354.22	5.04	-45.13
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226514	1	42	-1.0	-50.13	354.16	5.01	-45.12
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226515	0	42	-1.0	-44.02	333.97	4.53	-39.49
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226515	1	42	-1.0	-44.06	334.03	4.55	-39.51
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226516	0	39	-1.0	-56.74	319.84	3.61	-53.13
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226516	1	39	-1.0	-56.73	319.90	3.62	-53.11
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020226517	0	42	-1.0	-49.91	363.65	3.54	-46.37
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020226517	1	42	-1.0	-49.86	363.71	3.56	-46.30
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226518	0	39	-1.0	-44.13	321.54	3.64	-40.49
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226518	1	39	-1.0	-44.14	321.62	3.64	-40.50
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226519	0	45	-1.0	-49.39	343.42	5.41	-43.98
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226519	1	45	-1.0	-49.37	343.47	5.41	-43.96
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC([N+](=O)[O-])=C1	REAL300020226520	0	37	-1.0	-66.87	331.51	5.43	-61.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC([N+](=O)[O-])=C1	REAL300020226520	1	37	-1.0	-66.92	331.45	5.40	-61.52
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226521	0	37	-1.0	-53.30	312.40	4.96	-48.34
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226521	1	37	-1.0	-53.31	312.46	4.98	-48.33
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226522	0	34	-1.0	-68.12	296.71	4.06	-64.06
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226522	1	34	-1.0	-68.12	296.77	4.08	-64.04
CSCC[C@H](NC(=O)NC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020226523	0	37	-1.0	-60.30	340.49	3.99	-56.31
CSCC[C@H](NC(=O)NC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020226523	1	37	-1.0	-60.26	340.54	4.01	-56.25
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226524	0	34	-1.0	-53.38	298.34	4.09	-49.29
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226524	1	34	-1.0	-53.38	298.42	4.10	-49.28
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226525	0	40	-1.0	-40.35	324.80	5.13	-35.22
O=C(NC1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226525	1	40	-1.0	-42.20	324.82	5.14	-37.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1Cl	REAL300020226526	0	35	-1.0	-40.29	316.78	5.41	-34.88
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1Cl	REAL300020226526	1	35	-1.0	-40.27	316.73	5.39	-34.88
O=C(NC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226527	0	35	-1.0	-41.97	298.01	4.92	-37.05
O=C(NC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226527	1	35	-1.0	-41.98	298.07	4.93	-37.05
CSCC[C@H](NC(=O)NC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020226528	0	35	-1.0	-44.91	326.11	3.97	-40.94
CSCC[C@H](NC(=O)NC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020226528	1	35	-1.0	-44.92	326.16	3.98	-40.94
O=C(NC1=CC=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020226529	0	38	-1.0	-47.33	306.40	5.91	-41.42
O=C(NC1=CC=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020226529	1	38	-1.0	-47.33	306.46	5.92	-41.41
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020226530	0	40	-1.0	-68.35	347.34	5.99	-62.36
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020226530	1	40	-1.0	-68.36	347.28	5.96	-62.40
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020226531	0	40	-1.0	-44.11	328.44	5.46	-38.65
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020226531	1	40	-1.0	-44.12	328.50	5.47	-38.65
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020226532	0	37	-1.0	-61.86	313.06	4.56	-57.30
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020226532	1	37	-1.0	-61.82	313.12	4.57	-57.25
CSCC[C@H](NC(=O)NC1=CC=C(C)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020226533	0	40	-1.0	-59.69	355.97	4.55	-55.14
CSCC[C@H](NC(=O)NC1=CC=C(C)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020226533	1	40	-1.0	-59.69	356.03	4.56	-55.13
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020226534	0	37	-1.0	-53.15	314.42	4.61	-48.54
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020226534	1	37	-1.0	-53.09	314.50	4.61	-48.48
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020226535	0	43	-1.0	-43.91	341.26	5.60	-38.31
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020226535	1	43	-1.0	-43.92	341.29	5.60	-38.32
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226536	0	40	-1.0	-66.84	349.82	6.34	-60.50
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226536	1	40	-1.0	-66.81	349.76	6.31	-60.50
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226537	0	40	-1.0	-49.78	328.66	5.80	-43.98
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226537	1	40	-1.0	-49.80	328.72	5.81	-43.99
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226538	0	37	-1.0	-67.67	315.46	4.96	-62.71
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226538	1	37	-1.0	-67.71	315.52	4.97	-62.74
CSCC[C@H](NC(=O)NC1=CC([N+](=O)[O-])=CC=C1C)C1=N[N-]N=N1	REAL300020226539	0	40	-1.0	-52.79	359.01	4.92	-47.87
CSCC[C@H](NC(=O)NC1=CC([N+](=O)[O-])=CC=C1C)C1=NN=N[N-]1	REAL300020226539	1	40	-1.0	-52.78	359.06	4.94	-47.84
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226540	0	37	-1.0	-52.64	315.84	4.97	-47.67
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226540	1	37	-1.0	-52.64	315.92	4.99	-47.65
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226541	0	43	-1.0	-56.80	337.43	6.68	-50.12
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226541	1	43	-1.0	-56.78	337.49	6.69	-50.09
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C(Cl)=C1	REAL300020226542	0	35	-1.0	-55.32	335.22	5.73	-49.59
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C(Cl)=C1	REAL300020226542	1	35	-1.0	-55.34	335.16	5.71	-49.63
O=C(NC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226543	0	35	-1.0	-40.74	315.96	5.26	-35.48
O=C(NC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226543	1	35	-1.0	-40.74	316.02	5.28	-35.46
O=C(NC1=CC=C(Cl)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226544	0	32	-1.0	-55.27	300.41	4.37	-50.90
O=C(NC1=CC=C(Cl)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226544	1	32	-1.0	-55.29	300.47	4.39	-50.90
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300020226545	0	35	-1.0	-43.17	343.92	4.33	-38.84
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300020226545	1	35	-1.0	-43.18	343.98	4.34	-38.84
O=C(NC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226546	0	32	-1.0	-44.62	301.79	4.43	-40.19
O=C(NC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226546	1	32	-1.0	-44.61	301.86	4.43	-40.18
O=C(NC1=CC=C(Cl)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226547	0	38	-1.0	-37.38	330.45	5.44	-31.94
O=C(NC1=CC=C(Cl)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226547	1	38	-1.0	-37.37	330.50	5.47	-31.90
CC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020226548	0	44	-1.0	-44.30	361.53	6.94	-37.36
CC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020226548	1	44	-1.0	-44.33	361.47	6.92	-37.41
CC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020226549	0	44	-1.0	-43.10	345.40	6.59	-36.51
CC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020226549	1	44	-1.0	-43.10	345.46	6.60	-36.50
CC1=CC(C)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020226550	0	41	-1.0	-53.01	327.15	5.50	-47.51
CC1=CC(C)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020226550	1	41	-1.0	-53.02	327.21	5.52	-47.50
CSCC[C@H](NC(=O)NC1=C(C)C=C(C)C=C1C)C1=N[N-]N=N1	REAL300020226551	0	44	-1.0	-46.37	369.94	5.32	-41.05
CSCC[C@H](NC(=O)NC1=C(C)C=C(C)C=C1C)C1=NN=N[N-]1	REAL300020226551	1	44	-1.0	-46.38	369.99	5.34	-41.04
CC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020226552	0	41	-1.0	-43.77	328.36	5.51	-38.26
CC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020226552	1	41	-1.0	-43.74	328.43	5.53	-38.21
CC1=CC(C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020226553	0	47	-1.0	-48.59	351.15	7.29	-41.30
CC1=CC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020226553	1	47	-1.0	-48.63	351.20	7.30	-41.33
CC1=CC=C(CC2=CN=C(NC(=O)N3CCCC3C3=NN=N[N-]3)S2)C=C1F	REAL300020226554	0	44	-1.0	-62.47	385.01	7.31	-55.16
CC1=CC=C(CC2=CN=C(NC(=O)N3CCCC3C3=N[N-]N=N3)S2)C=C1F	REAL300020226554	1	44	-1.0	-62.42	384.95	7.29	-55.13
CC1=CC=C(CC2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1F	REAL300020226555	0	44	-1.0	-50.88	386.50	7.36	-43.52
CC1=CC=C(CC2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1F	REAL300020226555	1	44	-1.0	-50.85	386.42	7.35	-43.50
O=C(NC1=NC=C(CC2=CC=CC(F)=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226556	0	44	-1.0	-50.06	380.13	7.58	-42.48
O=C(NC1=NC=C(CC2=CC=CC(F)=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226556	1	44	-1.0	-50.04	380.07	7.56	-42.48
O=C(NC1=NC=C(CC2=CC=CC(F)=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020226557	0	41	-1.0	-62.14	364.70	6.67	-55.47
O=C(NC1=NC=C(CC2=CC=CC(F)=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020226557	1	41	-1.0	-62.15	364.65	6.64	-55.51
O=C(NC1=NC=C(CC2=CC=CC(F)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226558	0	41	-1.0	-50.72	366.18	6.72	-44.00
O=C(NC1=NC=C(CC2=CC=CC(F)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226558	1	41	-1.0	-50.73	366.11	6.71	-44.02
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020226559	0	43	-2.0	-93.61	385.51	6.45	-87.16
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020226559	1	43	-2.0	-93.65	385.45	6.42	-87.23
CC1=C(C2=CC=CC=C2)SC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020226559	1	44	-1.0	-45.74	388.76	7.64	-38.10
CC1=C(C2=CC=CC=C2)SC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020226559	1	44	-1.0	-45.76	388.71	7.61	-38.15
CC1=C(C2=CC=CC=C2)SC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020226560	0	44	-1.0	-47.76	369.48	7.14	-40.62
CC1=C(C2=CC=CC=C2)SC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020226560	1	44	-1.0	-47.84	369.54	7.16	-40.68
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020226560	1	43	-2.0	-95.92	368.63	6.31	-89.61
CC1=C(C2=CC=CC=C2)SC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020226561	0	41	-1.0	-59.42	354.22	6.24	-53.18
CC1=C(C2=CC=CC=C2)SC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020226561	1	41	-1.0	-59.42	354.27	6.25	-53.17
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020226561	1	40	-2.0	-119.17	352.81	5.20	-113.97
CSCC[C@H](NC(=O)NC1=NC(C)=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020226562	0	44	-1.0	-51.70	397.78	6.20	-45.50
CSCC[C@H](NC(=O)NC1=NC(C)=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020226562	1	44	-1.0	-51.66	397.84	6.21	-45.45
CC1=C(C2=CC=CC=C2)SC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020226563	0	41	-1.0	-48.22	355.68	6.31	-41.91
CC1=C(C2=CC=CC=C2)SC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020226563	1	41	-1.0	-48.27	355.75	6.32	-41.95
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020226563	1	40	-2.0	-97.47	353.55	5.25	-92.22
CC1=C(C2=CC=CC=C2)SC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020226564	0	47	-1.0	-55.64	378.40	8.14	-47.50
CC1=C(C2=CC=CC=C2)SC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020226564	1	47	-1.0	-55.65	378.45	8.17	-47.48
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020226564	1	46	-2.0	-102.48	381.78	6.90	-95.58
O=C([N-]C1=NC2=C(CCCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226565	0	40	-2.0	-94.22	350.11	4.76	-89.46
O=C(NC1=NC2=C(CCCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226565	1	41	-1.0	-46.07	353.37	5.97	-40.10
O=C([N-]C1=NC2=C(CCCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226565	1	40	-2.0	-94.25	350.05	4.74	-89.51
O=C(NC1=NC2=C(CCCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226565	1	41	-1.0	-46.10	353.31	5.94	-40.16
O=C(NC1=NC2=C(CCCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226566	0	41	-1.0	-42.87	332.09	5.06	-37.81
O=C(NC1=NC2=C(CCCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226566	1	41	-1.0	-42.88	332.14	5.08	-37.80
O=C(NC1=NC2=C(CCCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020226567	0	38	-1.0	-60.57	318.66	4.56	-56.01
O=C(NC1=NC2=C(CCCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020226567	1	38	-1.0	-60.56	318.72	4.56	-56.00
CSCC[C@H](NC(=O)NC1=NC2=C(CCCC2)S1)C1=N[N-]N=N1	REAL300020226568	0	41	-1.0	-52.56	362.29	4.53	-48.03
CSCC[C@H](NC(=O)NC1=NC2=C(CCCC2)S1)C1=NN=N[N-]1	REAL300020226568	1	41	-1.0	-52.55	362.35	4.54	-48.01
O=C(NC1=NC2=C(CCCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226569	0	38	-1.0	-41.48	318.07	4.20	-37.28
O=C(NC1=NC2=C(CCCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226569	1	38	-1.0	-41.51	318.14	4.22	-37.29
O=C(NC1=NC2=C(CCCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226570	0	44	-1.0	-56.03	342.36	6.33	-49.70
O=C(NC1=NC2=C(CCCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226570	1	44	-1.0	-56.07	342.41	6.33	-49.74
CCN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020226571	0	38	-1.0	-46.15	326.86	3.41	-42.74
CCN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020226571	1	38	-1.0	-46.16	326.80	3.38	-42.78
CCN1C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020226572	0	38	-1.0	-51.74	335.84	1.99	-49.75
CCN1C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020226572	1	38	-1.0	-51.72	335.78	1.98	-49.74
CCN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020226573	0	41	-1.0	-55.26	315.67	3.82	-51.44
CCN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020226573	1	41	-1.0	-55.26	315.63	3.82	-51.44
O=C([N-]C1=NC(C2CC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226574	0	37	-2.0	-87.64	335.14	3.82	-83.82
O=C([N-]C1=NC(C2CC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226574	1	37	-2.0	-87.61	335.08	3.79	-83.82
O=C(NC1=NC(C2CC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226574	1	38	-1.0	-40.35	338.39	5.02	-35.33
O=C(NC1=NC(C2CC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226574	1	38	-1.0	-40.35	338.34	5.00	-35.35
O=C(NC1=NC(C2CC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226575	0	38	-1.0	-42.07	319.14	4.54	-37.53
O=C(NC1=NC(C2CC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226575	1	38	-1.0	-42.03	319.20	4.56	-37.47
O=C([N-]C1=NC(C2CC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226575	1	37	-2.0	-89.84	318.12	3.69	-86.15
O=C([N-]C1=NC(C2CC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226575	1	37	-2.0	-89.81	318.18	3.71	-86.10
O=C(NC1=NC(C2CC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020226576	0	35	-1.0	-48.93	303.71	3.63	-45.30
O=C(NC1=NC(C2CC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020226576	1	35	-1.0	-48.94	303.77	3.65	-45.29
O=C([N-]C1=NC(C2CC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020226576	1	34	-2.0	-109.90	302.30	2.57	-107.33
O=C([N-]C1=NC(C2CC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020226576	1	34	-2.0	-109.89	302.36	2.60	-107.29
CSCC[C@H](NC(=O)NC1=NC(C2CC2)=CS1)C1=N[N-]N=N1	REAL300020226577	0	38	-1.0	-43.26	347.32	3.59	-39.67
CSCC[C@H](NC(=O)NC1=NC(C2CC2)=CS1)C1=NN=N[N-]1	REAL300020226577	1	38	-1.0	-43.27	347.38	3.61	-39.66
CSCC[C@H](NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=N[N-]N=N1	REAL300020226577	1	37	-2.0	-100.74	344.07	2.39	-98.35
O=C(NC1=NC(C2CC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226578	0	35	-1.0	-40.58	305.17	3.67	-36.91
O=C(NC1=NC(C2CC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226578	1	35	-1.0	-40.58	305.24	3.68	-36.90
O=C([N-]C1=NC(C2CC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226578	1	34	-2.0	-89.97	303.04	2.62	-87.35
O=C([N-]C1=NC(C2CC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226578	1	34	-2.0	-89.98	303.12	2.63	-87.35
O=C(NC1=NC(C2CC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226579	0	41	-1.0	-46.03	327.71	5.54	-40.49
O=C(NC1=NC(C2CC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226579	1	41	-1.0	-46.03	327.76	5.54	-40.49
O=C([N-]C1=NC(C2CC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226579	1	40	-2.0	-108.23	326.62	4.55	-103.68
O=C([N-]C1=NC(C2CC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226579	1	40	-2.0	-108.25	326.67	4.56	-103.69
CC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226580	0	42	-1.0	-57.85	359.68	3.63	-54.22
CC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226580	1	42	-1.0	-57.85	359.62	3.61	-54.24
CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226581	0	42	-1.0	-48.04	340.17	3.17	-44.87
CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226581	1	42	-1.0	-48.02	340.23	3.19	-44.83
CC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226582	0	39	-1.0	-57.03	324.59	2.30	-54.73
CC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226582	1	39	-1.0	-57.07	324.65	2.31	-54.76
CSCC[C@H](NC(=O)NC1=CC=C(NC(C)=O)C=C1)C1=N[N-]N=N1	REAL300020226583	0	42	-1.0	-59.09	368.47	2.23	-56.86
CSCC[C@H](NC(=O)NC1=CC=C(NC(C)=O)C=C1)C1=NN=N[N-]1	REAL300020226583	1	42	-1.0	-59.07	368.53	2.24	-56.83
CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226584	0	39	-1.0	-54.92	326.33	2.32	-52.60
CC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226584	1	39	-1.0	-54.92	326.40	2.33	-52.59
CC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226585	0	45	-1.0	-57.56	348.23	4.10	-53.46
CC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226585	1	45	-1.0	-57.54	348.28	4.10	-53.44
CC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226586	0	42	-1.0	-54.18	359.50	3.67	-50.51
CC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226586	1	42	-1.0	-54.18	359.44	3.65	-50.53
CC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226587	0	42	-1.0	-47.71	340.43	3.17	-44.54
CC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226587	1	42	-1.0	-47.73	340.49	3.18	-44.55
CC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020226588	0	39	-1.0	-57.86	325.22	2.24	-55.62
CC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020226588	1	39	-1.0	-57.85	325.28	2.26	-55.59
CSCC[C@H](NC(=O)NC1=CC=CC(NC(C)=O)=C1)C1=N[N-]N=N1	REAL300020226589	0	42	-1.0	-48.82	368.48	2.22	-46.60
CSCC[C@H](NC(=O)NC1=CC=CC(NC(C)=O)=C1)C1=NN=N[N-]1	REAL300020226589	1	42	-1.0	-48.83	368.54	2.24	-46.59
CC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020226590	0	39	-1.0	-47.83	325.98	2.35	-45.48
CC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020226590	1	39	-1.0	-47.86	326.05	2.35	-45.51
CC(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226591	0	45	-1.0	-56.41	354.78	3.34	-53.07
CC(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226591	1	45	-1.0	-56.40	354.83	3.35	-53.05
CN(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226592	0	43	-1.0	-55.89	355.86	5.18	-50.71
CN(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226592	1	43	-1.0	-55.91	355.80	5.15	-50.76
CN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226593	0	43	-1.0	-45.06	335.81	4.69	-40.37
CN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226593	1	43	-1.0	-45.10	335.87	4.70	-40.40
CN(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226594	0	40	-1.0	-54.85	321.32	3.79	-51.06
CN(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226594	1	40	-1.0	-54.86	321.37	3.80	-51.06
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C)C=C1)C1=N[N-]N=N1	REAL300020226595	0	43	-1.0	-48.01	364.59	3.78	-44.23
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C)C=C1)C1=NN=N[N-]1	REAL300020226595	1	43	-1.0	-48.06	364.64	3.79	-44.27
CN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226596	0	40	-1.0	-45.24	322.70	3.84	-41.40
CN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226596	1	40	-1.0	-45.27	322.77	3.85	-41.42
CN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226597	0	46	-1.0	-51.17	344.60	5.62	-45.55
CN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226597	1	46	-1.0	-51.18	344.65	5.62	-45.56
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226598	0	38	-1.0	-49.95	324.56	5.47	-44.48
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226598	1	38	-1.0	-49.93	324.50	5.44	-44.49
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020226599	0	38	-1.0	-48.95	333.69	4.00	-44.95
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020226599	1	38	-1.0	-48.97	333.75	4.02	-44.95
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226600	0	41	-1.0	-49.32	313.45	5.88	-43.44
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226600	1	41	-1.0	-49.31	313.50	5.88	-43.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=CC=C1Cl	REAL300020226601	0	35	-1.0	-51.26	333.50	5.92	-45.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=CC=C1Cl	REAL300020226601	1	35	-1.0	-51.26	333.44	5.90	-45.36
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226602	0	35	-1.0	-41.87	315.91	5.43	-36.44
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226602	1	35	-1.0	-41.87	315.96	5.45	-36.42
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020226603	0	32	-1.0	-52.16	300.21	4.53	-47.63
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020226603	1	32	-1.0	-52.16	300.26	4.56	-47.60
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL300020226604	0	35	-1.0	-45.42	342.82	4.48	-40.94
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1Cl)C1=NN=N[N-]1	REAL300020226604	1	35	-1.0	-45.42	342.88	4.49	-40.93
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020226605	0	32	-1.0	-41.73	301.55	4.59	-37.14
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020226605	1	32	-1.0	-41.79	301.62	4.60	-37.19
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020226606	0	38	-1.0	-46.52	323.44	6.33	-40.19
O=C(NC1=CC(Cl)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020226606	1	38	-1.0	-46.54	323.50	6.33	-40.21
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226607	0	39	-1.0	-55.98	332.82	4.05	-51.93
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226607	1	39	-1.0	-55.98	332.76	4.02	-51.96
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226608	0	39	-1.0	-44.29	312.38	3.63	-40.66
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226608	1	39	-1.0	-44.29	312.44	3.64	-40.65
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020226609	0	39	-1.0	-50.01	341.80	2.61	-47.40
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020226609	1	39	-1.0	-50.00	341.85	2.62	-47.38
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226610	0	42	-1.0	-50.25	322.24	4.58	-45.67
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226610	1	42	-1.0	-50.26	322.30	4.58	-45.68
O=C(NC1=CC=CC(Cl)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226611	0	35	-1.0	-43.04	320.06	5.27	-37.77
O=C(NC1=CC=CC(Cl)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226611	1	35	-1.0	-43.05	320.00	5.25	-37.80
O=C(NC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226612	0	35	-1.0	-44.67	299.60	4.84	-39.83
O=C(NC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226612	1	35	-1.0	-44.66	299.66	4.85	-39.81
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020226613	0	35	-1.0	-50.29	329.01	3.84	-46.45
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020226613	1	35	-1.0	-50.32	329.07	3.86	-46.46
O=C(NC1=CC=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226614	0	38	-1.0	-46.09	308.89	5.69	-40.40
O=C(NC1=CC=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226614	1	38	-1.0	-46.12	308.95	5.71	-40.41
O=C(NC1=CC=CC(F)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226615	0	35	-1.0	-57.95	309.72	4.82	-53.13
O=C(NC1=CC=CC(F)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226615	1	35	-1.0	-57.93	309.66	4.80	-53.13
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020226616	0	35	-1.0	-52.05	318.70	3.39	-48.66
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020226616	1	35	-1.0	-52.09	318.76	3.41	-48.68
O=C(NC1=CC=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226617	0	38	-1.0	-46.26	298.57	5.24	-41.02
O=C(NC1=CC=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226617	1	38	-1.0	-46.21	298.63	5.26	-40.95
CCC1=CC=CC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226618	0	44	-1.0	-43.76	360.24	7.06	-36.70
CCC1=CC=CC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226618	1	44	-1.0	-43.74	360.18	7.03	-36.71
CCC1=CC=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226619	0	44	-1.0	-43.34	341.76	6.32	-37.02
CCC1=CC=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226619	1	44	-1.0	-43.37	341.82	6.34	-37.03
CCC1=CC=CC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226620	0	41	-1.0	-53.53	327.08	5.54	-47.99
CCC1=CC=CC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226620	1	41	-1.0	-53.57	327.14	5.55	-48.02
CCC1=CC=CC(C)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020226621	0	44	-1.0	-46.03	368.43	5.43	-40.60
CCC1=CC=CC(C)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020226621	1	44	-1.0	-46.03	368.48	5.44	-40.59
CCC1=CC=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226622	0	41	-1.0	-44.26	333.14	5.74	-38.52
CCC1=CC=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226622	1	41	-1.0	-44.28	333.21	5.74	-38.54
CCC1=CC=CC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226623	0	47	-1.0	-47.63	337.02	6.36	-41.27
CCC1=CC=CC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226623	1	47	-1.0	-47.64	337.05	6.38	-41.26
CSC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226624	0	39	-1.0	-59.16	343.51	5.78	-53.38
CSC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226624	1	39	-1.0	-59.13	343.45	5.75	-53.38
CSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226625	0	39	-1.0	-43.55	323.10	5.36	-38.19
CSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226625	1	39	-1.0	-43.62	323.16	5.38	-38.24
CSC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020226626	0	36	-1.0	-61.01	308.71	4.42	-56.59
CSC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020226626	1	36	-1.0	-61.07	308.76	4.43	-56.64
CSCC[C@H](NC(=O)NC1=CC=CC(SC)=C1)C1=N[N-]N=N1	REAL300020226627	0	39	-1.0	-46.36	352.23	4.39	-41.97
CSCC[C@H](NC(=O)NC1=CC=CC(SC)=C1)C1=NN=N[N-]1	REAL300020226627	1	39	-1.0	-46.38	352.29	4.41	-41.97
CSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020226628	0	36	-1.0	-48.21	310.35	4.44	-43.77
CSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020226628	1	36	-1.0	-48.19	310.42	4.46	-43.73
CSC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226629	0	42	-1.0	-43.47	338.73	5.50	-37.97
CSC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226629	1	42	-1.0	-43.48	338.78	5.52	-37.96
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020226630	0	38	-1.0	-50.90	338.74	5.86	-45.04
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020226630	1	38	-1.0	-50.87	338.69	5.84	-45.03
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020226631	0	38	-1.0	-41.74	319.49	5.39	-36.35
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020226631	1	38	-1.0	-41.76	319.55	5.40	-36.36
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020226632	0	35	-1.0	-51.38	303.94	4.50	-46.88
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020226632	1	35	-1.0	-51.39	304.00	4.51	-46.88
CSCC[C@H](NC(=O)NC1=CC=C(C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020226633	0	38	-1.0	-47.36	347.46	4.47	-42.89
CSCC[C@H](NC(=O)NC1=CC=C(C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020226633	1	38	-1.0	-47.34	347.52	4.48	-42.86
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020226634	0	35	-1.0	-45.84	305.56	4.53	-41.31
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020226634	1	35	-1.0	-45.83	305.64	4.53	-41.30
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020226635	0	41	-1.0	-40.51	333.98	5.57	-34.94
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020226635	1	41	-1.0	-40.44	334.04	5.59	-34.85
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=CC=CC=C21	REAL300020226636	0	41	-1.0	-42.49	345.15	7.18	-35.31
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=CC=CC=C21	REAL300020226636	1	41	-1.0	-42.52	345.10	7.16	-35.36
O=C(NC1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226637	0	41	-1.0	-44.29	325.68	6.70	-37.59
O=C(NC1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226637	1	41	-1.0	-44.29	325.74	6.71	-37.58
O=C(NC1=CC=CC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300020226638	0	38	-1.0	-54.67	311.15	5.79	-48.88
O=C(NC1=CC=CC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300020226638	1	38	-1.0	-54.64	311.09	5.78	-48.86
CSCC[C@H](NC(=O)NC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020226639	0	41	-1.0	-48.98	354.61	5.74	-43.24
CSCC[C@H](NC(=O)NC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020226639	1	41	-1.0	-48.97	354.67	5.75	-43.22
O=C(NC1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020226640	0	38	-1.0	-44.70	313.42	5.86	-38.84
O=C(NC1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020226640	1	38	-1.0	-44.76	313.49	5.88	-38.88
O=C(NC1=CC=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020226641	0	44	-1.0	-43.26	337.68	6.84	-36.42
O=C(NC1=CC=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020226641	1	44	-1.0	-43.19	337.71	6.85	-36.34
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=CC=CC=C2C=C1	REAL300020226642	0	41	-1.0	-42.63	348.98	7.11	-35.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=CC=CC=C2C=C1	REAL300020226642	1	41	-1.0	-42.58	348.92	7.09	-35.49
O=C(NC1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226643	0	41	-1.0	-44.50	330.24	6.56	-37.94
O=C(NC1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226643	1	41	-1.0	-44.55	330.30	6.58	-37.97
O=C(NC1=CC2=CC=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226644	0	38	-1.0	-60.89	314.84	5.63	-55.26
O=C(NC1=CC2=CC=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226644	1	38	-1.0	-60.95	314.90	5.66	-55.29
CSCC[C@H](NC(=O)NC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020226645	0	41	-1.0	-49.19	358.47	5.61	-43.58
CSCC[C@H](NC(=O)NC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020226645	1	41	-1.0	-49.18	358.52	5.62	-43.56
O=C(NC1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226646	0	38	-1.0	-44.85	316.30	5.69	-39.16
O=C(NC1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226646	1	38	-1.0	-44.87	316.38	5.71	-39.16
O=C(NC1=CC2=CC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226647	0	44	-1.0	-43.35	344.60	6.77	-36.58
O=C(NC1=CC2=CC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226647	1	44	-1.0	-43.33	344.64	6.77	-36.56
O=C(NC1=CC=C(Cl)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226648	0	35	-1.0	-52.72	320.04	5.27	-47.45
O=C(NC1=CC=C(Cl)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226648	1	35	-1.0	-52.68	319.98	5.25	-47.43
O=C(NC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226649	0	35	-1.0	-42.66	301.00	4.80	-37.86
O=C(NC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226649	1	35	-1.0	-42.66	301.06	4.81	-37.85
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020226650	0	35	-1.0	-46.66	329.04	3.84	-42.82
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020226650	1	35	-1.0	-46.70	329.10	3.86	-42.84
O=C(NC1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226651	0	38	-1.0	-47.01	308.78	5.72	-41.29
O=C(NC1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226651	1	38	-1.0	-47.04	308.83	5.72	-41.32
O=C(NC1=CC=CC=C1I)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226652	0	35	-1.0	-41.35	308.09	5.53	-35.82
O=C(NC1=CC=CC=C1I)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226652	1	35	-1.0	-41.39	308.14	5.55	-35.84
O=C(NC1=CC=CC=C1I)N1CCCC1C1=N[N-]N=N1	REAL300020226653	0	32	-1.0	-50.19	292.67	4.61	-45.58
O=C(NC1=CC=CC=C1I)N1CCCC1C1=NN=N[N-]1	REAL300020226653	1	32	-1.0	-50.17	292.72	4.64	-45.53
O=C(NC1=CC=CC=C1I)N1CCC(C2=N[N-]N=N2)C1	REAL300020226654	0	32	-1.0	-41.13	294.96	4.69	-36.44
O=C(NC1=CC=CC=C1I)N1CCC(C2=NN=N[N-]2)C1	REAL300020226654	1	32	-1.0	-41.13	295.04	4.71	-36.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C(F)(F)F	REAL300020226655	0	38	-1.0	-40.83	337.77	6.07	-34.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C(F)(F)F	REAL300020226655	1	38	-1.0	-40.82	337.71	6.04	-34.78
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226656	0	38	-1.0	-41.73	317.85	5.56	-36.17
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226656	1	38	-1.0	-41.73	317.90	5.57	-36.16
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020226657	0	35	-1.0	-50.52	302.28	4.65	-45.87
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020226657	1	35	-1.0	-50.51	302.34	4.67	-45.84
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020226658	0	38	-1.0	-44.17	345.96	4.60	-39.57
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020226658	1	38	-1.0	-44.16	346.02	4.61	-39.55
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020226659	0	35	-1.0	-41.65	304.73	4.72	-36.93
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020226659	1	35	-1.0	-41.69	304.80	4.74	-36.95
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020226660	0	41	-1.0	-47.02	326.26	6.53	-40.49
O=C(NC1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020226660	1	41	-1.0	-47.05	326.31	6.54	-40.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020226661	0	38	-1.0	-49.76	341.89	5.79	-43.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C(F)(F)F)=C1	REAL300020226661	1	38	-1.0	-49.72	341.83	5.77	-43.95
O=C(NC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226662	0	38	-1.0	-42.01	321.99	5.36	-36.65
O=C(NC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226662	1	38	-1.0	-41.98	322.05	5.37	-36.61
O=C(NC1=CC=CC(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226663	0	35	-1.0	-49.77	307.53	4.37	-45.40
O=C(NC1=CC=CC(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226663	1	35	-1.0	-49.84	307.58	4.38	-45.46
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020226664	0	38	-1.0	-43.95	350.72	4.36	-39.59
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020226664	1	38	-1.0	-43.94	350.78	4.38	-39.56
O=C(NC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226665	0	35	-1.0	-47.09	309.19	4.43	-42.66
O=C(NC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226665	1	35	-1.0	-47.06	309.26	4.44	-42.62
O=C(NC1=CC=CC(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226666	0	41	-1.0	-39.69	337.25	5.47	-34.22
O=C(NC1=CC=CC(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226666	1	41	-1.0	-39.72	337.30	5.50	-34.22
O=C([N-]C1=NC=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226667	0	30	-2.0	-88.87	286.36	2.19	-86.68
O=C([N-]C1=NC=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226667	1	30	-2.0	-88.83	286.30	2.17	-86.66
O=C(NC1=NC=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226667	1	31	-1.0	-45.38	289.61	3.39	-41.99
O=C(NC1=NC=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226667	1	31	-1.0	-45.40	289.56	3.37	-42.03
COC1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226668	0	39	-1.0	-42.81	347.94	4.71	-38.10
COC1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226668	1	39	-1.0	-42.83	347.88	4.69	-38.14
COC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226669	0	39	-1.0	-44.57	329.75	4.20	-40.37
COC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226669	1	39	-1.0	-44.58	329.81	4.21	-40.37
COC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226670	0	36	-1.0	-54.24	313.23	3.31	-50.93
COC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226670	1	36	-1.0	-54.26	313.29	3.33	-50.93
COC1=CC=C(Cl)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020226671	0	39	-1.0	-47.52	357.56	3.27	-44.25
COC1=CC=C(Cl)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020226671	1	39	-1.0	-47.52	357.61	3.29	-44.23
COC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226672	0	36	-1.0	-44.60	315.42	3.36	-41.24
COC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226672	1	36	-1.0	-44.59	315.49	3.37	-41.22
COC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226673	0	42	-1.0	-43.42	343.36	4.41	-39.01
COC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226673	1	42	-1.0	-43.40	343.40	4.42	-38.98
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1OC	REAL300020226674	0	47	-1.0	-47.20	394.75	3.96	-43.24
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1OC	REAL300020226674	1	47	-1.0	-47.15	394.69	3.94	-43.21
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1OC	REAL300020226675	0	47	-1.0	-46.13	376.08	3.41	-42.72
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1OC	REAL300020226675	1	47	-1.0	-46.15	376.13	3.43	-42.72
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020226676	0	44	-1.0	-56.27	360.52	2.50	-53.77
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020226676	1	44	-1.0	-56.28	360.58	2.52	-53.76
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020226677	0	47	-1.0	-48.87	404.21	2.47	-46.40
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020226677	1	47	-1.0	-48.90	404.27	2.48	-46.42
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020226678	0	44	-1.0	-46.66	362.04	2.56	-44.10
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020226678	1	44	-1.0	-46.69	362.12	2.57	-44.12
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020226679	0	50	-1.0	-53.06	383.91	4.41	-48.65
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020226679	1	50	-1.0	-53.06	383.96	4.44	-48.62
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226680	0	53	-1.0	-43.58	415.44	8.63	-34.95
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226680	1	53	-1.0	-43.59	415.38	8.61	-34.98
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226681	0	53	-1.0	-43.15	397.23	7.76	-35.39
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226681	1	53	-1.0	-43.15	397.29	7.77	-35.38
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226682	0	50	-1.0	-53.06	380.24	7.03	-46.03
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226682	1	50	-1.0	-53.02	380.30	7.05	-45.97
CSCC[C@H](NC(=O)NC1=C(C(C)C)C=CC=C1C(C)C)C1=N[N-]N=N1	REAL300020226683	0	53	-1.0	-46.47	423.78	7.00	-39.47
CSCC[C@H](NC(=O)NC1=C(C(C)C)C=CC=C1C(C)C)C1=NN=N[N-]1	REAL300020226683	1	53	-1.0	-46.46	423.84	7.02	-39.44
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226684	0	50	-1.0	-43.25	383.77	7.34	-35.91
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226684	1	50	-1.0	-43.26	383.85	7.35	-35.91
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226685	0	56	-1.0	-43.69	402.95	7.83	-35.86
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226685	1	56	-1.0	-43.66	402.96	7.84	-35.82
CC(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226686	0	47	-1.0	-48.51	379.34	7.11	-41.40
CC(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226686	1	47	-1.0	-48.55	379.28	7.09	-41.46
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226687	0	47	-1.0	-43.67	360.42	6.60	-37.07
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226687	1	47	-1.0	-43.69	360.48	6.62	-37.07
CC(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226688	0	44	-1.0	-53.32	344.91	5.68	-47.64
CC(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226688	1	44	-1.0	-53.33	344.97	5.70	-47.63
CSCC[C@H](NC(=O)NC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020226689	0	47	-1.0	-48.71	388.43	5.65	-43.06
CSCC[C@H](NC(=O)NC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020226689	1	47	-1.0	-48.69	388.49	5.66	-43.03
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226690	0	44	-1.0	-43.78	346.30	5.73	-38.05
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226690	1	44	-1.0	-43.73	346.37	5.75	-37.98
CC(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226691	0	50	-1.0	-49.60	368.20	7.52	-42.08
CC(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226691	1	50	-1.0	-49.57	368.25	7.53	-42.04
NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226692	0	39	-1.0	-51.26	337.26	1.63	-49.63
NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226692	1	39	-1.0	-51.21	337.20	1.61	-49.60
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226693	0	39	-1.0	-46.71	317.16	1.09	-45.62
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226693	1	39	-1.0	-46.71	317.22	1.11	-45.60
NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226694	0	36	-1.0	-54.30	302.88	0.19	-54.11
NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226694	1	36	-1.0	-54.28	302.93	0.20	-54.08
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)C=C1)C1=N[N-]N=N1	REAL300020226695	0	39	-1.0	-56.83	346.71	0.12	-56.71
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)C=C1)C1=NN=N[N-]1	REAL300020226695	1	39	-1.0	-56.83	346.77	0.13	-56.70
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226696	0	36	-1.0	-51.66	304.27	0.23	-51.43
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226696	1	36	-1.0	-51.67	304.35	0.25	-51.42
NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226697	0	42	-1.0	-50.30	326.49	2.00	-48.30
NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226697	1	42	-1.0	-50.30	326.54	2.01	-48.29
C=CCSC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020226698	0	37	-2.0	-91.23	360.98	3.59	-87.64
C=CCSC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020226698	1	37	-2.0	-91.25	360.93	3.57	-87.68
C=CCSC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020226699	0	37	-2.0	-93.75	344.03	3.47	-90.28
C=CCSC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020226699	1	37	-2.0	-93.72	343.97	3.45	-90.27
C=CCSC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020226700	0	34	-2.0	-116.97	328.15	2.33	-114.64
C=CCSC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020226700	1	34	-2.0	-116.97	328.20	2.36	-114.61
C=CCSC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020226701	0	37	-2.0	-106.50	369.92	2.15	-104.35
C=CCSC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020226701	1	37	-2.0	-106.47	369.97	2.17	-104.30
C=CCSC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020226702	0	34	-2.0	-95.17	328.96	2.41	-92.76
C=CCSC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020226702	1	34	-2.0	-95.17	328.89	2.39	-92.78
C=CCSC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020226703	0	40	-2.0	-114.67	352.51	4.33	-110.34
C=CCSC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020226703	1	40	-2.0	-114.66	352.46	4.31	-110.35
CC(C)(C)C1=NN(C2=CC=C(F)C=C2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020226704	0	51	-1.0	-53.20	412.46	8.24	-44.96
CC(C)(C)C1=NN(C2=CC=C(F)C=C2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020226704	1	51	-1.0	-53.21	412.40	8.22	-44.99
CC(C)(C)C1=NN(C2=CC=C(F)C=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020226705	0	51	-1.0	-42.79	413.98	8.29	-34.50
CC(C)(C)C1=NN(C2=CC=C(F)C=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020226705	1	51	-1.0	-42.72	413.91	8.29	-34.43
CC1=CC=CC(N2N=C(C(C)(C)C)C=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020226706	0	54	-1.0	-55.43	427.45	8.84	-46.59
CC1=CC=CC(N2N=C(C(C)(C)C)C=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020226706	1	54	-1.0	-55.43	427.39	8.81	-46.62
CC1=CC=CC(N2N=C(C(C)(C)C)C=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020226707	0	54	-1.0	-44.86	428.90	8.89	-35.97
CC1=CC=CC(N2N=C(C(C)(C)C)C=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020226707	1	54	-1.0	-44.85	428.82	8.87	-35.98
CN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=C1	REAL300020226708	0	46	-1.0	-42.70	369.91	5.98	-36.72
CN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=C1	REAL300020226708	1	46	-1.0	-42.73	369.97	6.00	-36.73
CN(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL300020226709	0	43	-1.0	-51.62	353.94	5.08	-46.54
CN(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL300020226709	1	43	-1.0	-51.61	353.99	5.10	-46.51
CN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1	REAL300020226710	0	43	-1.0	-41.90	355.44	5.11	-36.79
CN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020226710	1	43	-1.0	-41.93	355.52	5.13	-36.80
CN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL300020226711	0	49	-1.0	-48.20	378.75	6.95	-41.25
CN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL300020226711	1	49	-1.0	-48.22	378.81	6.95	-41.27
O=C(NC1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226712	0	49	-1.0	-45.44	401.92	7.61	-37.83
O=C(NC1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226712	1	49	-1.0	-45.48	401.97	7.62	-37.86
O=C(NC1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226713	0	46	-1.0	-54.07	386.49	6.72	-47.35
O=C(NC1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226713	1	46	-1.0	-54.10	386.55	6.74	-47.36
O=C(NC1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226714	0	46	-1.0	-47.31	387.83	6.77	-40.54
O=C(NC1=CC=CC(COC2=CC=CC(F)=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226714	1	46	-1.0	-47.34	387.90	6.78	-40.56
CC(C)CC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020226715	0	41	-2.0	-93.24	363.30	3.74	-89.50
CC(C)CC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020226715	1	41	-2.0	-93.23	363.24	3.71	-89.52
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020226716	0	41	-2.0	-95.39	346.25	3.58	-91.81
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020226716	1	41	-2.0	-95.37	346.31	3.60	-91.77
CC(C)CC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020226717	0	38	-2.0	-119.19	330.39	2.48	-116.71
CC(C)CC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020226717	1	38	-2.0	-119.18	330.45	2.49	-116.69
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC(C)C)S1)C1=N[N-]N=N1	REAL300020226718	0	41	-2.0	-108.95	372.19	2.29	-106.66
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC(C)C)S1)C1=NN=N[N-]1	REAL300020226718	1	41	-2.0	-108.95	372.25	2.31	-106.64
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020226719	0	38	-2.0	-96.96	332.42	2.66	-94.30
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020226719	1	38	-2.0	-96.93	332.50	2.67	-94.26
CC(C)CC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020226720	0	44	-2.0	-115.26	356.08	4.71	-110.55
CC(C)CC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020226720	1	44	-2.0	-115.27	356.13	4.71	-110.56
CCN(CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)=O	REAL300020226721	0	51	-1.0	-47.37	411.19	7.59	-39.78
CCN(CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)=O	REAL300020226721	1	51	-1.0	-47.38	411.13	7.57	-39.81
CCN(CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)=O	REAL300020226722	0	51	-1.0	-48.04	384.74	6.75	-41.29
CCN(CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)=O	REAL300020226722	1	51	-1.0	-48.02	384.80	6.77	-41.25
CCN(CC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C(C)=O	REAL300020226723	0	48	-1.0	-60.74	373.20	6.11	-54.63
CCN(CC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C(C)=O	REAL300020226723	1	48	-1.0	-60.70	373.25	6.13	-54.57
CCN(CC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)=O	REAL300020226724	0	51	-1.0	-53.79	419.73	6.12	-47.67
CCN(CC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)=O	REAL300020226724	1	51	-1.0	-53.79	419.79	6.13	-47.66
CCN(CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)=O	REAL300020226725	0	48	-1.0	-48.32	372.04	6.09	-42.23
CCN(CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)=O	REAL300020226725	1	48	-1.0	-48.35	372.12	6.10	-42.25
CCN(CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)=O	REAL300020226726	0	54	-1.0	-54.63	392.67	8.00	-46.63
CCN(CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)=O	REAL300020226726	1	54	-1.0	-54.66	392.70	8.02	-46.64
CC1=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2S1	REAL300020226727	0	40	-1.0	-48.38	356.44	5.01	-43.37
CC1=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2S1	REAL300020226727	1	40	-1.0	-48.40	356.38	4.98	-43.42
CC1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2S1	REAL300020226728	0	40	-1.0	-45.96	337.66	4.47	-41.49
CC1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2S1	REAL300020226728	1	40	-1.0	-46.04	337.71	4.49	-41.55
CC1=NC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2S1	REAL300020226729	0	37	-1.0	-59.12	322.09	3.58	-55.54
CC1=NC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2S1	REAL300020226729	1	37	-1.0	-59.14	322.15	3.59	-55.55
CSCC[C@H](NC(=O)NC1=CC=C2N=C(C)SC2=C1)C1=N[N-]N=N1	REAL300020226730	0	40	-1.0	-49.27	365.89	3.51	-45.76
CSCC[C@H](NC(=O)NC1=CC=C2N=C(C)SC2=C1)C1=NN=N[N-]1	REAL300020226730	1	40	-1.0	-49.27	365.94	3.53	-45.74
CC1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2S1	REAL300020226731	0	37	-1.0	-47.38	323.73	3.60	-43.78
CC1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2S1	REAL300020226731	1	37	-1.0	-47.40	323.80	3.61	-43.79
CC1=NC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2S1	REAL300020226732	0	43	-1.0	-43.01	350.06	4.61	-38.40
CC1=NC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2S1	REAL300020226732	1	43	-1.0	-42.96	350.11	4.63	-38.33
CC1=NN=NN1C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226733	0	43	-1.0	-71.52	370.53	4.82	-66.70
CC1=NN=NN1C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226733	1	43	-1.0	-71.51	370.48	4.79	-66.72
CC1=NN=NN1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226734	0	43	-1.0	-54.86	351.26	4.34	-50.52
CC1=NN=NN1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226734	1	43	-1.0	-54.87	351.32	4.35	-50.52
CC1=NN=NN1C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020226735	0	40	-1.0	-73.66	335.85	3.41	-70.25
CC1=NN=NN1C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020226735	1	40	-1.0	-73.64	335.91	3.43	-70.21
CSCC[C@H](NC(=O)NC1=CC=CC(N2N=NN=C2C)=C1)C1=N[N-]N=N1	REAL300020226736	0	43	-1.0	-66.46	379.66	3.35	-63.11
CSCC[C@H](NC(=O)NC1=CC=CC(N2N=NN=C2C)=C1)C1=NN=N[N-]1	REAL300020226736	1	43	-1.0	-66.49	379.72	3.36	-63.13
CC1=NN=NN1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020226737	0	40	-1.0	-59.01	337.22	3.46	-55.55
CC1=NN=NN1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020226737	1	40	-1.0	-59.01	337.29	3.48	-55.53
CC1=NN=NN1C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226738	0	46	-1.0	-47.65	365.90	4.50	-43.15
CC1=NN=NN1C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226738	1	46	-1.0	-47.64	365.95	4.52	-43.12
CSC1=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2S1	REAL300020226739	0	41	-1.0	-47.94	378.30	5.50	-42.44
CSC1=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2S1	REAL300020226739	1	41	-1.0	-47.90	378.24	5.48	-42.42
CSC1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2S1	REAL300020226740	0	41	-1.0	-43.59	359.54	4.95	-38.64
CSC1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2S1	REAL300020226740	1	41	-1.0	-43.58	359.49	4.94	-38.64
CSC1=NC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2S1	REAL300020226741	0	38	-1.0	-58.78	344.02	4.08	-54.70
CSC1=NC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2S1	REAL300020226741	1	38	-1.0	-58.76	343.96	4.06	-54.70
CSCC[C@H](NC(=O)NC1=CC=C2N=C(SC)SC2=C1)C1=NN=N[N-]1	REAL300020226742	0	41	-1.0	-48.43	387.82	4.01	-44.42
CSCC[C@H](NC(=O)NC1=CC=C2N=C(SC)SC2=C1)C1=N[N-]N=N1	REAL300020226742	1	41	-1.0	-48.47	387.76	3.99	-44.48
CSC1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2S1	REAL300020226743	0	38	-1.0	-43.57	345.67	4.08	-39.49
CSC1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2S1	REAL300020226743	1	38	-1.0	-43.62	345.60	4.07	-39.55
CSC1=NC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2S1	REAL300020226744	0	44	-1.0	-41.46	371.99	5.11	-36.35
CSC1=NC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2S1	REAL300020226744	1	44	-1.0	-41.48	371.96	5.09	-36.39
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(F)C=C1F	REAL300020226745	0	41	-1.0	-42.70	367.57	5.56	-37.14
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(F)C=C1F	REAL300020226745	1	41	-1.0	-42.76	367.63	5.59	-37.17
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(F)C=C1F	REAL300020226746	0	41	-1.0	-43.40	349.05	5.09	-38.31
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(F)C=C1F	REAL300020226746	1	41	-1.0	-43.42	349.10	5.10	-38.32
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(F)C=C1F	REAL300020226747	0	38	-1.0	-51.10	332.92	4.16	-46.94
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(F)C=C1F	REAL300020226747	1	38	-1.0	-51.09	332.98	4.17	-46.92
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(F)C=C1F	REAL300020226748	0	41	-1.0	-45.39	376.45	4.11	-41.28
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(F)C=C1F	REAL300020226748	1	41	-1.0	-45.39	376.51	4.12	-41.27
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(F)C=C1F	REAL300020226749	0	38	-1.0	-43.56	335.09	4.21	-39.35
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(F)C=C1F	REAL300020226749	1	38	-1.0	-43.56	335.17	4.23	-39.33
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(F)C=C1F	REAL300020226750	0	44	-1.0	-47.97	357.00	5.96	-42.01
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(F)C=C1F	REAL300020226750	1	44	-1.0	-47.94	357.06	5.96	-41.98
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020226751	0	41	-1.0	-58.11	370.58	5.78	-52.33
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020226751	1	41	-1.0	-58.14	370.64	5.81	-52.33
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020226752	0	41	-1.0	-43.04	350.06	5.38	-37.66
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020226752	1	41	-1.0	-43.02	350.12	5.39	-37.63
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020226753	0	38	-1.0	-57.81	335.83	4.44	-53.37
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020226753	1	38	-1.0	-57.83	335.89	4.46	-53.37
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Cl	REAL300020226754	0	41	-1.0	-48.50	379.64	4.38	-44.12
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Cl	REAL300020226754	1	41	-1.0	-48.58	379.69	4.39	-44.19
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020226755	0	38	-1.0	-47.63	337.21	4.50	-43.13
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020226755	1	38	-1.0	-47.69	337.28	4.51	-43.18
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020226756	0	44	-1.0	-39.46	363.87	5.52	-33.94
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020226756	1	44	-1.0	-39.50	363.91	5.52	-33.98
O=C(NC1=CC=C(N2C=CC=N2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226757	0	41	-1.0	-48.02	358.50	5.35	-42.67
O=C(NC1=CC=C(N2C=CC=N2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226757	1	41	-1.0	-48.05	358.44	5.33	-42.72
O=C(NC1=CC=C(N2C=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226758	0	41	-1.0	-47.63	339.87	4.82	-42.81
O=C(NC1=CC=C(N2C=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226758	1	41	-1.0	-47.61	339.81	4.81	-42.80
O=C(NC1=CC=C(N2C=CC=N2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226759	0	38	-1.0	-57.27	324.19	3.94	-53.33
O=C(NC1=CC=C(N2C=CC=N2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226759	1	38	-1.0	-57.24	324.13	3.92	-53.32
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC=N2)N=C1)C1=NN=N[N-]1	REAL300020226760	0	41	-1.0	-50.79	367.94	3.86	-46.93
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC=N2)N=C1)C1=N[N-]N=N1	REAL300020226760	1	41	-1.0	-50.77	367.88	3.85	-46.92
O=C(NC1=CC=C(N2C=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226761	0	38	-1.0	-47.24	325.80	3.96	-43.28
O=C(NC1=CC=C(N2C=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226761	1	38	-1.0	-47.25	325.72	3.96	-43.29
O=C(NC1=CC=C(N2C=CC=N2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226762	0	44	-1.0	-42.42	352.39	4.98	-37.44
O=C(NC1=CC=C(N2C=CC=N2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226762	1	44	-1.0	-42.45	352.39	4.98	-37.47
O=C(NC1=CC=C(N2CCC3=C(C=CS3)C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226763	0	47	-1.0	-53.45	384.98	4.86	-48.59
O=C(NC1=CC=C(N2CCC3=C(C=CS3)C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226763	1	47	-1.0	-53.44	385.04	4.88	-48.56
O=C(NC1=CC=C(N2CCC3=C(C=CS3)C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226764	0	47	-1.0	-43.71	386.78	4.94	-38.77
O=C(NC1=CC=C(N2CCC3=C(C=CS3)C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226764	1	47	-1.0	-43.75	386.85	4.95	-38.80
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1N1C=CC=N1	REAL300020226765	0	42	-1.0	-46.20	355.89	6.64	-39.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1N1C=CC=N1	REAL300020226765	1	42	-1.0	-46.17	355.84	6.61	-39.56
O=C(NC1=CC=CC=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226766	0	42	-1.0	-47.51	337.09	6.22	-41.29
O=C(NC1=CC=CC=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226766	1	42	-1.0	-47.47	337.03	6.21	-41.26
O=C(NC1=CC=CC=C1N1C=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020226767	0	39	-1.0	-59.12	322.40	5.25	-53.87
O=C(NC1=CC=CC=C1N1C=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020226767	1	39	-1.0	-59.09	322.34	5.24	-53.85
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1C=CC=N1)C1=NN=N[N-]1	REAL300020226768	0	42	-1.0	-52.49	365.93	5.21	-47.28
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1C=CC=N1)C1=N[N-]N=N1	REAL300020226768	1	42	-1.0	-52.49	365.88	5.20	-47.29
O=C(NC1=CC=CC=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226769	0	39	-1.0	-47.54	323.55	5.36	-42.18
O=C(NC1=CC=CC=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226769	1	39	-1.0	-47.56	323.48	5.34	-42.22
O=C(NC1=CC=CC=C1N1C=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226770	0	45	-1.0	-55.17	344.89	7.14	-48.03
O=C(NC1=CC=CC=C1N1C=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226770	1	45	-1.0	-55.14	344.83	7.14	-48.00
COC(=O)CNC(=O)CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226771	0	48	-1.0	-59.52	404.67	3.29	-56.23
COC(=O)CNC(=O)CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226771	1	48	-1.0	-59.50	404.73	3.30	-56.20
COC(=O)CNC(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226772	0	48	-1.0	-50.74	405.79	3.37	-47.37
COC(=O)CNC(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226772	1	48	-1.0	-50.75	405.87	3.38	-47.37
O=C(CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)N1CCOCC1	REAL300020226773	0	53	-1.0	-51.95	415.73	4.83	-47.12
O=C(CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)N1CCOCC1	REAL300020226773	1	53	-1.0	-51.92	415.79	4.85	-47.07
O=C(CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)N1CCOCC1	REAL300020226774	0	50	-1.0	-59.82	400.23	3.92	-55.90
O=C(CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)N1CCOCC1	REAL300020226774	1	50	-1.0	-59.83	400.29	3.93	-55.90
O=C(CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)N1CCOCC1	REAL300020226775	0	50	-1.0	-51.51	401.60	3.97	-47.54
O=C(CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)N1CCOCC1	REAL300020226775	1	50	-1.0	-51.55	401.67	3.98	-47.57
CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020226776	0	45	-1.0	-46.76	377.91	4.01	-42.75
CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020226776	1	45	-1.0	-46.82	377.85	3.98	-42.84
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020226777	0	45	-1.0	-45.91	358.88	3.47	-42.44
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020226777	1	45	-1.0	-45.93	358.94	3.49	-42.44
CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020226778	0	42	-1.0	-54.50	342.44	2.55	-51.95
CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020226778	1	42	-1.0	-54.50	342.50	2.58	-51.92
CNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020226779	0	45	-1.0	-48.76	387.11	2.53	-46.23
CNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020226779	1	45	-1.0	-48.75	387.16	2.55	-46.20
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020226780	0	42	-1.0	-45.99	343.96	2.58	-43.41
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020226780	1	42	-1.0	-45.98	344.03	2.60	-43.38
CNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020226781	0	48	-1.0	-51.25	366.41	4.41	-46.84
CNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020226781	1	48	-1.0	-51.21	366.47	4.42	-46.79
CC(=O)NC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C	REAL300020226782	0	45	-1.0	-59.77	377.66	4.52	-55.25
CC(=O)NC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C	REAL300020226782	1	45	-1.0	-59.72	377.60	4.50	-55.22
CC(=O)NC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C	REAL300020226783	0	45	-1.0	-49.45	358.74	4.05	-45.40
CC(=O)NC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C	REAL300020226783	1	45	-1.0	-49.46	358.79	4.07	-45.39
CC(=O)NC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020226784	0	42	-1.0	-60.50	343.37	3.18	-57.32
CC(=O)NC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020226784	1	42	-1.0	-60.51	343.43	3.20	-57.31
CSCC[C@H](NC(=O)NC1=CC=C(C)C(NC(C)=O)=C1)C1=N[N-]N=N1	REAL300020226785	0	45	-1.0	-55.38	385.87	3.11	-52.27
CSCC[C@H](NC(=O)NC1=CC=C(C)C(NC(C)=O)=C1)C1=NN=N[N-]1	REAL300020226785	1	45	-1.0	-55.41	385.93	3.13	-52.28
CC(=O)NC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020226786	0	42	-1.0	-50.06	344.73	3.25	-46.81
CC(=O)NC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020226786	1	42	-1.0	-50.09	344.80	3.25	-46.84
CC(=O)NC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020226787	0	48	-1.0	-50.83	367.62	4.38	-46.45
CC(=O)NC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020226787	1	48	-1.0	-50.91	367.66	4.39	-46.52
CC(C)OC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226788	0	45	-1.0	-41.99	370.72	5.77	-36.22
CC(C)OC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226788	1	45	-1.0	-42.00	370.66	5.75	-36.25
CC(C)OC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226789	0	45	-1.0	-44.06	354.29	5.34	-38.72
CC(C)OC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226789	1	45	-1.0	-44.09	354.35	5.36	-38.73
CC(C)OC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226790	0	42	-1.0	-55.05	337.86	4.38	-50.67
CC(C)OC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226790	1	42	-1.0	-55.07	337.91	4.41	-50.66
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC(C)C)C1=N[N-]N=N1	REAL300020226791	0	45	-1.0	-47.99	381.42	4.37	-43.62
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC(C)C)C1=NN=N[N-]1	REAL300020226791	1	45	-1.0	-47.95	381.48	4.38	-43.57
CC(C)OC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226792	0	42	-1.0	-43.90	339.27	4.45	-39.45
CC(C)OC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226792	1	42	-1.0	-43.87	339.34	4.46	-39.41
CC(C)OC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226793	0	48	-1.0	-43.64	363.78	5.50	-38.14
CC(C)OC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226793	1	48	-1.0	-43.54	363.80	5.52	-38.02
O=C(NC1=CC=C(OCC(F)(F)F)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226794	0	41	-1.0	-42.02	371.82	2.88	-39.14
O=C(NC1=CC=C(OCC(F)(F)F)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226794	1	41	-1.0	-42.02	371.77	2.86	-39.16
O=C(NC1=CC=C(OCC(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226795	0	41	-1.0	-44.77	352.71	2.34	-42.43
O=C(NC1=CC=C(OCC(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226795	1	41	-1.0	-44.81	352.66	2.33	-42.48
O=C(NC1=CC=C(OCC(F)(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226796	0	38	-1.0	-51.08	337.34	1.49	-49.59
O=C(NC1=CC=C(OCC(F)(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226796	1	38	-1.0	-51.06	337.28	1.48	-49.58
CSCC[C@H](NC(=O)NC1=CC=C(OCC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300020226797	0	41	-1.0	-46.47	380.86	1.46	-45.01
CSCC[C@H](NC(=O)NC1=CC=C(OCC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300020226797	1	41	-1.0	-46.49	380.81	1.44	-45.05
O=C(NC1=CC=C(OCC(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226798	0	38	-1.0	-43.66	338.72	1.55	-42.11
O=C(NC1=CC=C(OCC(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226798	1	38	-1.0	-43.64	338.65	1.55	-42.09
O=C(NC1=CC=C(OCC(F)(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226799	0	44	-1.0	-38.12	367.10	2.55	-35.57
O=C(NC1=CC=C(OCC(F)(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226799	1	44	-1.0	-38.08	367.06	2.52	-35.56
CCOC1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226800	0	41	-1.0	-43.46	351.16	2.60	-40.86
CCOC1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226800	1	41	-1.0	-43.47	351.10	2.57	-40.90
CCOC1=NC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226801	0	41	-1.0	-42.63	330.29	2.08	-40.55
CCOC1=NC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226801	1	41	-1.0	-42.70	330.24	2.07	-40.63
CCOC1=NC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226802	0	38	-1.0	-51.97	316.06	1.17	-50.80
CCOC1=NC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226802	1	38	-1.0	-51.95	316.00	1.16	-50.79
CCOC1=NC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020226803	0	41	-1.0	-45.89	359.58	1.13	-44.76
CCOC1=NC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020226803	1	41	-1.0	-45.88	359.52	1.12	-44.76
CCOC1=NC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226804	0	38	-1.0	-42.64	318.22	1.24	-41.40
CCOC1=NC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226804	1	38	-1.0	-42.67	318.15	1.23	-41.44
CCOC1=NC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226805	0	44	-1.0	-46.84	338.19	2.98	-43.86
CCOC1=NC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226805	1	44	-1.0	-46.87	338.15	2.96	-43.91
CC1=NN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=N2)C(C)=C1	REAL300020226806	0	47	-1.0	-45.96	398.29	6.80	-39.16
CC1=NN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=N2)C(C)=C1	REAL300020226806	1	47	-1.0	-45.94	398.23	6.77	-39.17
CC1=NN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)C(C)=C1	REAL300020226807	0	47	-1.0	-48.08	378.46	6.28	-41.80
CC1=NN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)C(C)=C1	REAL300020226807	1	47	-1.0	-48.13	378.40	6.27	-41.86
CC1=NN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)C(C)=C1	REAL300020226808	0	44	-1.0	-58.20	363.97	5.39	-52.81
CC1=NN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)C(C)=C1	REAL300020226808	1	44	-1.0	-58.20	363.91	5.38	-52.82
CSCC[C@H](NC(=O)NC1=CC=C(N2N=C(C)C=C2C)N=C1)C1=NN=N[N-]1	REAL300020226809	0	47	-1.0	-49.55	407.51	5.34	-44.21
CSCC[C@H](NC(=O)NC1=CC=C(N2N=C(C)C=C2C)N=C1)C1=N[N-]N=N1	REAL300020226809	1	47	-1.0	-49.54	407.45	5.33	-44.21
CC1=NN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C(C)=C1	REAL300020226810	0	44	-1.0	-47.69	365.37	5.43	-42.26
CC1=NN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C(C)=C1	REAL300020226810	1	44	-1.0	-47.65	365.30	5.42	-42.23
CC1=CC(C)=NN1C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020226811	0	50	-1.0	-43.84	392.19	6.43	-37.41
CC1=CC(C)=NN1C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020226811	1	50	-1.0	-43.88	392.15	6.43	-37.45
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226812	0	45	-1.0	-43.77	376.92	4.75	-39.02
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226812	1	45	-1.0	-43.70	376.86	4.74	-38.96
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226813	0	42	-1.0	-51.49	360.72	3.88	-47.61
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226813	1	42	-1.0	-51.48	360.67	3.86	-47.62
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226814	0	42	-1.0	-43.37	362.13	3.93	-39.44
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226814	1	42	-1.0	-43.38	362.05	3.92	-39.46
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226815	0	48	-1.0	-40.70	385.62	5.00	-35.70
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226815	1	48	-1.0	-40.71	385.55	5.00	-35.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN=C1OC1=CC=CC=C1	REAL300020226816	0	45	-1.0	-47.87	387.80	5.31	-42.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN=C1OC1=CC=CC=C1	REAL300020226816	1	45	-1.0	-47.87	387.74	5.28	-42.59
O=C(NC1=CC=CN=C1OC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226817	0	45	-1.0	-44.47	370.20	4.77	-39.70
O=C(NC1=CC=CN=C1OC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226817	1	45	-1.0	-44.47	370.14	4.76	-39.71
O=C(NC1=CC=CN=C1OC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226818	0	42	-1.0	-52.91	353.10	3.92	-48.99
O=C(NC1=CC=CN=C1OC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226818	1	42	-1.0	-52.91	353.05	3.90	-49.01
CSCC[C@H](NC(=O)NC1=CC=CN=C1OC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020226819	0	45	-1.0	-46.84	397.62	3.87	-42.97
CSCC[C@H](NC(=O)NC1=CC=CN=C1OC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020226819	1	45	-1.0	-46.81	397.56	3.85	-42.96
O=C(NC1=CC=CN=C1OC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226820	0	42	-1.0	-44.33	355.49	3.94	-40.39
O=C(NC1=CC=CN=C1OC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226820	1	42	-1.0	-44.32	355.42	3.93	-40.39
O=C(NC1=CC=CN=C1OC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226821	0	48	-1.0	-47.52	377.67	5.10	-42.42
O=C(NC1=CC=CN=C1OC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226821	1	48	-1.0	-47.54	377.64	5.10	-42.44
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)C=C1	REAL300020226822	0	46	-1.0	-45.49	391.36	5.09	-40.40
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)C=C1	REAL300020226822	1	46	-1.0	-45.47	391.30	5.08	-40.39
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)C=C1	REAL300020226823	0	43	-1.0	-54.09	374.98	4.23	-49.86
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)C=C1	REAL300020226823	1	43	-1.0	-54.10	374.93	4.21	-49.89
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020226824	0	43	-1.0	-45.18	376.57	4.27	-40.91
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C=C1	REAL300020226824	1	43	-1.0	-45.17	376.49	4.26	-40.91
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226825	0	45	-1.0	-48.59	377.36	4.66	-43.93
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226825	1	45	-1.0	-48.60	377.30	4.65	-43.95
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226826	0	42	-1.0	-54.21	360.72	3.88	-50.33
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226826	1	42	-1.0	-54.17	360.66	3.86	-50.31
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226827	0	42	-1.0	-45.44	362.74	3.97	-41.47
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226827	1	42	-1.0	-45.38	362.67	3.96	-41.42
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226828	0	48	-1.0	-45.72	390.07	4.86	-40.86
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226828	1	48	-1.0	-45.69	390.03	4.85	-40.84
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226829	0	48	-1.0	-63.31	391.92	5.43	-57.88
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226829	1	48	-1.0	-63.33	391.87	5.41	-57.92
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226830	0	48	-1.0	-55.33	372.58	4.96	-50.37
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226830	1	48	-1.0	-55.30	372.64	4.98	-50.32
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226831	0	45	-1.0	-58.34	360.09	4.14	-54.20
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226831	1	45	-1.0	-58.31	360.15	4.16	-54.15
CSCC[C@H](NC(=O)NC1=CC(C(=O)N(C)C)=CC=C1C)C1=N[N-]N=N1	REAL300020226832	0	48	-1.0	-57.84	401.43	4.09	-53.75
CSCC[C@H](NC(=O)NC1=CC(C(=O)N(C)C)=CC=C1C)C1=NN=N[N-]1	REAL300020226832	1	48	-1.0	-57.78	401.49	4.10	-53.68
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226833	0	45	-1.0	-57.98	359.52	4.11	-53.87
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226833	1	45	-1.0	-57.98	359.59	4.12	-53.86
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226834	0	51	-1.0	-66.53	379.90	5.77	-60.76
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226834	1	51	-1.0	-66.49	379.95	5.77	-60.72
COC1=CC(C)=CC=C1OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020226835	0	49	-1.0	-56.69	405.90	4.25	-52.44
COC1=CC(C)=CC=C1OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020226835	1	49	-1.0	-56.66	405.84	4.23	-52.43
COC1=CC(C)=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020226836	0	49	-1.0	-47.76	407.92	4.28	-43.48
COC1=CC(C)=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020226836	1	49	-1.0	-47.76	407.85	4.28	-43.48
COCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020226837	0	45	-1.0	-43.96	385.48	1.74	-42.22
COCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020226837	1	45	-1.0	-43.94	385.42	1.72	-42.22
COCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020226838	0	45	-1.0	-45.93	366.58	1.25	-44.68
COCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020226838	1	45	-1.0	-45.87	366.52	1.23	-44.64
COCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020226839	0	42	-1.0	-53.48	351.39	0.30	-53.18
COCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020226839	1	42	-1.0	-53.51	351.33	0.29	-53.22
COCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020226840	0	45	-1.0	-48.27	394.70	0.29	-47.98
COCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020226840	1	45	-1.0	-48.25	394.64	0.28	-47.97
COCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020226841	0	42	-1.0	-45.47	352.77	0.36	-45.11
COCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020226841	1	42	-1.0	-45.44	352.70	0.35	-45.09
COCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020226842	0	48	-1.0	-42.46	381.16	1.35	-41.11
COCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020226842	1	48	-1.0	-42.42	381.11	1.34	-41.08
N#CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)=C1	REAL300020226843	0	46	-1.0	-45.82	391.45	5.08	-40.74
N#CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)=C1	REAL300020226843	1	46	-1.0	-45.85	391.39	5.07	-40.78
N#CC1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)=C1	REAL300020226844	0	43	-1.0	-56.31	375.17	4.20	-52.11
N#CC1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)=C1	REAL300020226844	1	43	-1.0	-56.32	375.12	4.19	-52.13
N#CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)=C1	REAL300020226845	0	43	-1.0	-47.34	377.19	4.28	-43.06
N#CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)=C1	REAL300020226845	1	43	-1.0	-47.32	377.12	4.28	-43.04
O=C(NC1=CC=CC(N2CCCS2(=O)=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226846	0	47	-1.0	-57.20	380.28	2.92	-54.28
O=C(NC1=CC=CC(N2CCCS2(=O)=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226846	1	47	-1.0	-57.19	380.34	2.93	-54.26
O=C(NC1=CC=CC(N2CCCS2(=O)=O)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226847	0	44	-1.0	-68.58	366.29	1.96	-66.62
O=C(NC1=CC=CC(N2CCCS2(=O)=O)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226847	1	44	-1.0	-68.62	366.35	1.98	-66.64
O=C(NC1=CC=CC(N2CCCS2(=O)=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226848	0	44	-1.0	-55.98	367.36	2.04	-53.94
O=C(NC1=CC=CC(N2CCCS2(=O)=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226848	1	44	-1.0	-55.92	367.44	2.05	-53.87
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1N1CCCCC1=O	REAL300020226849	0	53	-1.0	-49.10	415.63	5.58	-43.52
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1N1CCCCC1=O	REAL300020226849	1	53	-1.0	-49.12	415.68	5.59	-43.53
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1N1CCCCC1=O	REAL300020226850	0	50	-1.0	-69.26	399.89	4.71	-64.55
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1N1CCCCC1=O	REAL300020226850	1	50	-1.0	-69.25	399.95	4.72	-64.53
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1CCCCC1=O	REAL300020226851	0	50	-1.0	-53.47	401.53	4.73	-48.74
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1CCCCC1=O	REAL300020226851	1	50	-1.0	-53.44	401.60	4.75	-48.69
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226852	0	51	-1.0	-55.39	417.23	6.04	-49.35
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226852	1	51	-1.0	-55.45	417.17	6.02	-49.43
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226853	0	51	-1.0	-45.86	396.56	5.48	-40.38
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226853	1	51	-1.0	-45.82	396.62	5.50	-40.32
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226854	0	48	-1.0	-53.89	382.03	4.60	-49.29
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226854	1	48	-1.0	-53.91	382.09	4.62	-49.29
CSCC[C@H](NC(=O)NC1=CC(NC(=O)C(C)C)=CC=C1C)C1=N[N-]N=N1	REAL300020226855	0	51	-1.0	-50.71	426.14	4.61	-46.10
CSCC[C@H](NC(=O)NC1=CC(NC(=O)C(C)C)=CC=C1C)C1=NN=N[N-]1	REAL300020226855	1	51	-1.0	-50.72	426.19	4.62	-46.10
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226856	0	48	-1.0	-45.81	383.36	4.65	-41.16
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226856	1	48	-1.0	-45.81	383.44	4.66	-41.15
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226857	0	54	-1.0	-54.82	405.05	6.36	-48.46
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226857	1	54	-1.0	-54.83	405.11	6.36	-48.47
CCC(=O)NC1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226858	0	48	-1.0	-55.65	397.86	5.39	-50.26
CCC(=O)NC1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226858	1	48	-1.0	-55.70	397.80	5.37	-50.33
CCC(=O)NC1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226859	0	48	-1.0	-47.70	376.81	4.83	-42.87
CCC(=O)NC1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226859	1	48	-1.0	-47.72	376.86	4.85	-42.87
CCC(=O)NC1=CC=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020226860	0	45	-1.0	-57.40	363.49	4.01	-53.39
CCC(=O)NC1=CC=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020226860	1	45	-1.0	-57.44	363.54	4.02	-53.42
CCC(=O)NC1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020226861	0	48	-1.0	-50.62	405.95	3.91	-46.71
CCC(=O)NC1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020226861	1	48	-1.0	-50.68	406.00	3.92	-46.76
CCC(=O)NC1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020226862	0	45	-1.0	-46.24	364.01	4.00	-42.24
CCC(=O)NC1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020226862	1	45	-1.0	-46.23	364.08	4.01	-42.22
CCC(=O)NC1=CC=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226863	0	51	-1.0	-47.04	387.05	4.97	-42.07
CCC(=O)NC1=CC=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226863	1	51	-1.0	-47.07	387.08	4.97	-42.10
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226864	0	49	-1.0	-56.11	408.38	6.15	-49.96
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226864	1	49	-1.0	-56.10	408.32	6.13	-49.97
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226865	0	49	-1.0	-47.71	387.45	5.60	-42.11
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226865	1	49	-1.0	-47.72	387.51	5.62	-42.10
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226866	0	46	-1.0	-54.50	373.21	4.72	-49.78
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226866	1	46	-1.0	-54.50	373.27	4.74	-49.76
CSCC[C@H](NC(=O)NC1=CC(NC(=O)C2CC2)=CC=C1C)C1=N[N-]N=N1	REAL300020226867	0	49	-1.0	-48.17	416.72	4.68	-43.49
CSCC[C@H](NC(=O)NC1=CC(NC(=O)C2CC2)=CC=C1C)C1=NN=N[N-]1	REAL300020226867	1	49	-1.0	-48.18	416.78	4.69	-43.49
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226868	0	46	-1.0	-46.29	374.52	4.77	-41.52
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226868	1	46	-1.0	-46.30	374.59	4.78	-41.52
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226869	0	52	-1.0	-55.19	396.24	6.49	-48.70
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226869	1	52	-1.0	-55.23	396.29	6.49	-48.74
CC(=O)NC1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226870	0	45	-1.0	-51.36	377.18	4.62	-46.74
CC(=O)NC1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226870	1	45	-1.0	-51.34	377.12	4.59	-46.75
CC(=O)NC1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226871	0	45	-1.0	-48.12	356.50	4.02	-44.10
CC(=O)NC1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226871	1	45	-1.0	-48.18	356.56	4.04	-44.14
CC(=O)NC1=CC=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020226872	0	42	-1.0	-54.82	342.39	3.13	-51.69
CC(=O)NC1=CC=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020226872	1	42	-1.0	-54.82	342.44	3.15	-51.67
CSCC[C@H](NC(=O)NC1=CC(NC(C)=O)=CC=C1C)C1=N[N-]N=N1	REAL300020226873	0	45	-1.0	-51.41	385.74	3.13	-48.28
CSCC[C@H](NC(=O)NC1=CC(NC(C)=O)=CC=C1C)C1=NN=N[N-]1	REAL300020226873	1	45	-1.0	-51.40	385.80	3.14	-48.26
CC(=O)NC1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020226874	0	42	-1.0	-46.67	343.72	3.18	-43.49
CC(=O)NC1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020226874	1	42	-1.0	-46.68	343.80	3.19	-43.49
CC(=O)NC1=CC=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226875	0	48	-1.0	-54.96	365.40	4.90	-50.06
CC(=O)NC1=CC=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226875	1	48	-1.0	-54.99	365.46	4.89	-50.10
CS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020226876	0	40	-1.0	-50.38	359.94	0.40	-49.98
CS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020226876	1	40	-1.0	-50.35	359.88	0.37	-49.98
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020226877	0	40	-1.0	-54.69	340.82	-0.13	-54.82
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020226877	1	40	-1.0	-54.63	340.76	-0.14	-54.77
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020226878	0	37	-1.0	-61.19	325.44	-0.98	-62.17
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020226878	1	37	-1.0	-61.17	325.38	-0.99	-62.16
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300020226879	0	40	-1.0	-53.31	368.76	-0.99	-54.30
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300020226879	1	40	-1.0	-53.31	368.70	-1.01	-54.32
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020226880	0	37	-1.0	-51.91	326.85	-0.91	-52.82
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020226880	1	37	-1.0	-51.86	326.77	-0.93	-52.79
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020226881	0	43	-1.0	-51.91	348.83	0.84	-51.07
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020226881	1	43	-1.0	-51.96	348.78	0.82	-51.14
CCOC(=O)C1=NN(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=C1	REAL300020226882	0	48	-1.0	-67.16	405.04	6.16	-61.00
CCOC(=O)C1=NN(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=C1	REAL300020226882	1	48	-1.0	-67.20	404.98	6.15	-61.05
CCOC(=O)C1=NN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020226883	0	48	-1.0	-57.68	406.08	6.25	-51.43
CCOC(=O)C1=NN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020226883	1	48	-1.0	-57.68	406.01	6.23	-51.45
O=C(NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226884	0	44	-1.0	-52.62	377.03	7.56	-45.06
O=C(NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226884	1	44	-1.0	-52.62	376.98	7.54	-45.08
O=C(NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226885	0	44	-1.0	-45.42	357.99	7.01	-38.41
O=C(NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226885	1	44	-1.0	-45.41	358.05	7.03	-38.38
O=C(NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCCC1C1=N[N-]N=N1	REAL300020226886	0	41	-1.0	-61.75	342.52	6.11	-55.64
O=C(NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCCC1C1=NN=N[N-]1	REAL300020226886	1	41	-1.0	-61.76	342.58	6.13	-55.63
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C1=N[N-]N=N1	REAL300020226887	0	44	-1.0	-53.18	386.51	6.04	-47.14
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C1=NN=N[N-]1	REAL300020226887	1	44	-1.0	-53.20	386.57	6.06	-47.14
O=C(NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCC(C2=N[N-]N=N2)C1	REAL300020226888	0	41	-1.0	-51.95	344.34	6.13	-45.82
O=C(NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCC(C2=NN=N[N-]2)C1	REAL300020226888	1	41	-1.0	-51.96	344.42	6.14	-45.82
O=C(NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCCCC1CC1=N[N-]N=N1	REAL300020226889	0	47	-1.0	-47.11	370.61	7.14	-39.97
O=C(NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)N1CCCCC1CC1=NN=N[N-]1	REAL300020226889	1	47	-1.0	-47.12	370.65	7.16	-39.96
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226890	0	49	-1.0	-72.15	409.68	5.65	-66.50
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226890	1	49	-1.0	-72.14	409.62	5.63	-66.51
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226891	0	49	-1.0	-54.34	388.49	5.09	-49.25
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226891	1	49	-1.0	-54.33	388.55	5.11	-49.22
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020226892	0	46	-1.0	-68.21	374.35	4.21	-64.00
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020226892	1	46	-1.0	-68.18	374.41	4.23	-63.95
CSCC[C@H](NC(=O)NC1=CC(C(=O)NC2CC2)=CC=C1C)C1=N[N-]N=N1	REAL300020226893	0	49	-1.0	-58.98	417.86	4.17	-54.81
CSCC[C@H](NC(=O)NC1=CC(C(=O)NC2CC2)=CC=C1C)C1=NN=N[N-]1	REAL300020226893	1	49	-1.0	-58.97	417.91	4.18	-54.79
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020226894	0	46	-1.0	-57.67	375.66	4.28	-53.39
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020226894	1	46	-1.0	-57.66	375.74	4.29	-53.37
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020226895	0	52	-1.0	-62.74	397.27	5.97	-56.77
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020226895	1	52	-1.0	-62.80	397.32	5.97	-56.83
O=C(NC1=CC=C(OC(F)F)C=C1OC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020226896	0	40	-1.0	-58.38	346.32	2.63	-55.75
O=C(NC1=CC=C(OC(F)F)C=C1OC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020226896	1	40	-1.0	-58.39	346.38	2.66	-55.73
O=C(NC1=CC=C(OC(F)F)C=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020226897	0	40	-1.0	-47.54	347.68	2.69	-44.85
O=C(NC1=CC=C(OC(F)F)C=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020226897	1	40	-1.0	-47.57	347.75	2.71	-44.86
COC(=O)C1=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2O1	REAL300020226898	0	44	-1.0	-49.20	387.14	5.98	-43.22
COC(=O)C1=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2O1	REAL300020226898	1	44	-1.0	-49.19	387.08	5.96	-43.23
COC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020226899	0	44	-1.0	-44.18	367.00	5.49	-38.69
COC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020226899	1	44	-1.0	-44.19	367.06	5.51	-38.68
COC(=O)C1=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020226900	0	41	-1.0	-53.06	353.04	4.51	-48.55
COC(=O)C1=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020226900	1	41	-1.0	-53.07	353.10	4.53	-48.54
COC(=O)C1=CC2=CC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C2O1	REAL300020226901	0	44	-1.0	-49.43	396.59	4.49	-44.94
COC(=O)C1=CC2=CC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C2O1	REAL300020226901	1	44	-1.0	-49.46	396.65	4.51	-44.95
COC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020226902	0	41	-1.0	-48.00	354.14	4.62	-43.38
COC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020226902	1	41	-1.0	-48.05	354.21	4.62	-43.43
COC(=O)C1=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020226903	0	47	-1.0	-41.58	380.77	5.60	-35.98
COC(=O)C1=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020226903	1	47	-1.0	-41.56	380.81	5.62	-35.94
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226904	0	41	-1.0	-49.94	357.53	5.49	-44.45
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226904	1	41	-1.0	-49.99	357.47	5.46	-44.53
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226905	0	41	-1.0	-44.34	338.61	4.96	-39.38
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226905	1	41	-1.0	-44.37	338.66	4.98	-39.39
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226906	0	38	-1.0	-58.15	323.14	4.05	-54.10
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226906	1	38	-1.0	-58.14	323.20	4.06	-54.08
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020226907	0	41	-1.0	-51.42	367.00	3.98	-47.44
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020226907	1	41	-1.0	-51.43	367.06	4.00	-47.43
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226908	0	38	-1.0	-44.79	324.83	4.08	-40.71
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226908	1	38	-1.0	-44.86	324.90	4.09	-40.77
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226909	0	44	-1.0	-49.21	346.76	5.86	-43.35
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226909	1	44	-1.0	-49.21	346.80	5.87	-43.34
CCOC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226910	0	44	-1.0	-49.81	379.39	6.41	-43.40
CCOC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226910	1	44	-1.0	-49.82	379.33	6.39	-43.43
CCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226911	0	44	-1.0	-44.17	360.47	5.89	-38.28
CCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226911	1	44	-1.0	-44.17	360.53	5.91	-38.26
CCOC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226912	0	41	-1.0	-57.97	345.01	4.97	-53.00
CCOC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226912	1	41	-1.0	-57.96	345.07	4.99	-52.97
CCOC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020226913	0	44	-1.0	-51.25	388.86	4.91	-46.34
CCOC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020226913	1	44	-1.0	-51.25	388.92	4.92	-46.33
CCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226914	0	41	-1.0	-44.67	346.69	5.00	-39.67
CCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226914	1	41	-1.0	-44.65	346.76	5.02	-39.63
CCOC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226915	0	47	-1.0	-49.14	368.62	6.79	-42.35
CCOC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226915	1	47	-1.0	-49.15	368.67	6.79	-42.36
CCCCOC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226916	0	50	-1.0	-49.44	422.33	7.96	-41.48
CCCCOC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226916	1	50	-1.0	-49.45	422.38	7.99	-41.46
CCCCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226917	0	50	-1.0	-43.73	403.47	7.46	-36.27
CCCCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226917	1	50	-1.0	-43.76	403.52	7.48	-36.28
CCCCOC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226918	0	47	-1.0	-57.45	388.00	6.55	-50.90
CCCCOC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226918	1	47	-1.0	-57.43	388.06	6.56	-50.87
CCCCOC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020226919	0	50	-1.0	-50.80	431.86	6.48	-44.32
CCCCOC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020226919	1	50	-1.0	-50.78	431.92	6.50	-44.28
CCCCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226920	0	47	-1.0	-44.27	389.69	6.58	-37.69
CCCCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226920	1	47	-1.0	-44.33	389.76	6.59	-37.74
CCCCOC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226921	0	53	-1.0	-48.84	411.62	8.36	-40.48
CCCCOC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226921	1	53	-1.0	-48.84	411.66	8.36	-40.48
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020226922	0	38	-1.0	-42.06	330.40	1.48	-40.58
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020226922	1	38	-1.0	-42.06	330.34	1.46	-40.60
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020226923	0	38	-1.0	-45.94	311.28	0.95	-44.99
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020226923	1	38	-1.0	-45.94	311.23	0.93	-45.01
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020226924	0	38	-1.0	-46.29	339.21	0.09	-46.20
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020226924	1	38	-1.0	-46.23	339.16	0.07	-46.16
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020226925	0	41	-1.0	-40.07	325.68	1.15	-38.92
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020226925	1	41	-1.0	-40.07	325.63	1.12	-38.95
CCCOC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226926	0	47	-1.0	-49.60	400.83	7.18	-42.42
CCCOC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226926	1	47	-1.0	-49.58	400.89	7.21	-42.37
CCCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226927	0	47	-1.0	-43.88	381.97	6.68	-37.20
CCCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226927	1	47	-1.0	-43.87	382.03	6.70	-37.17
CCCOC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226928	0	44	-1.0	-57.70	366.51	5.77	-51.93
CCCOC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226928	1	44	-1.0	-57.66	366.56	5.78	-51.88
CCCOC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020226929	0	47	-1.0	-50.95	410.36	5.70	-45.25
CCCOC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020226929	1	47	-1.0	-50.96	410.42	5.71	-45.25
CCCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226930	0	44	-1.0	-44.38	368.19	5.79	-38.59
CCCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226930	1	44	-1.0	-44.40	368.26	5.81	-38.59
CCCOC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226931	0	50	-1.0	-48.91	390.12	7.58	-41.33
CCCOC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226931	1	50	-1.0	-48.94	390.17	7.58	-41.36
COC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226932	0	41	-1.0	-66.06	358.12	5.42	-60.64
COC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226932	1	41	-1.0	-66.05	358.06	5.39	-60.66
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226933	0	41	-1.0	-44.86	337.67	4.99	-39.87
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226933	1	41	-1.0	-44.90	337.73	5.01	-39.89
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020226934	0	38	-1.0	-68.17	323.31	4.06	-64.11
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020226934	1	38	-1.0	-68.13	323.36	4.07	-64.06
COC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020226935	0	41	-1.0	-54.33	366.83	4.02	-50.31
COC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020226935	1	41	-1.0	-54.27	366.89	4.03	-50.24
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020226936	0	38	-1.0	-52.71	324.67	4.11	-48.60
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020226936	1	38	-1.0	-52.71	324.74	4.12	-48.59
COC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226937	0	44	-1.0	-49.08	346.96	5.84	-43.24
COC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226937	1	44	-1.0	-49.13	347.01	5.85	-43.28
CC(C)N1N=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN=C21	REAL300020226938	0	46	-1.0	-46.60	390.00	5.57	-41.03
CC(C)N1N=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN=C21	REAL300020226938	1	46	-1.0	-46.62	389.94	5.54	-41.08
CC(C)N1N=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN=C21	REAL300020226939	0	46	-1.0	-48.27	371.23	4.96	-43.31
CC(C)N1N=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN=C21	REAL300020226939	1	46	-1.0	-48.23	371.17	4.95	-43.28
CC(C)N1N=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CN=C21	REAL300020226940	0	43	-1.0	-54.09	355.94	4.11	-49.98
CC(C)N1N=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CN=C21	REAL300020226940	1	43	-1.0	-54.13	355.88	4.10	-50.03
CSCC[C@H](NC(=O)NC1=CN=C2C(=C1)C=NN2C(C)C)C1=NN=N[N-]1	REAL300020226941	0	46	-1.0	-48.13	399.22	4.10	-44.03
CSCC[C@H](NC(=O)NC1=CN=C2C(=C1)C=NN2C(C)C)C1=N[N-]N=N1	REAL300020226941	1	46	-1.0	-48.13	399.16	4.09	-44.04
CC(C)N1N=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020226942	0	43	-1.0	-46.06	357.31	4.17	-41.89
CC(C)N1N=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020226942	1	43	-1.0	-46.07	357.24	4.17	-41.90
CC(C)N1N=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C21	REAL300020226943	0	49	-1.0	-42.64	383.89	5.19	-37.45
CC(C)N1N=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C21	REAL300020226943	1	49	-1.0	-42.63	383.85	5.19	-37.44
CN1C(=O)C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN=C2N(C)C1=O	REAL300020226944	0	46	-1.0	-43.37	370.96	3.94	-39.43
CN1C(=O)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN=C2N(C)C1=O	REAL300020226944	1	46	-1.0	-43.41	371.02	3.95	-39.46
CN1C(=O)C2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CN=C2N(C)C1=O	REAL300020226945	0	43	-1.0	-62.41	356.81	3.00	-59.41
CN1C(=O)C2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CN=C2N(C)C1=O	REAL300020226945	1	43	-1.0	-62.38	356.87	3.01	-59.37
CN1C(=O)C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C2N(C)C1=O	REAL300020226946	0	43	-1.0	-50.09	358.19	3.06	-47.03
CN1C(=O)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C2N(C)C1=O	REAL300020226946	1	43	-1.0	-50.09	358.26	3.06	-47.03
CN1C(=O)C2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C2N(C)C1=O	REAL300020226947	0	49	-1.0	-40.18	385.05	4.04	-36.14
CN1C(=O)C2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C2N(C)C1=O	REAL300020226947	1	49	-1.0	-40.18	385.10	4.05	-36.13
O=C(NC1=CC=C(N2CCNC2=O)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226948	0	45	-1.0	-57.72	375.84	3.49	-54.23
O=C(NC1=CC=C(N2CCNC2=O)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226948	1	45	-1.0	-57.71	375.78	3.46	-54.25
O=C(NC1=CC=C(N2CCNC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226949	0	45	-1.0	-49.36	356.77	3.01	-46.35
O=C(NC1=CC=C(N2CCNC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226949	1	45	-1.0	-49.36	356.82	3.02	-46.34
O=C(NC1=CC=C(N2CCNC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226950	0	42	-1.0	-58.60	341.29	2.08	-56.52
O=C(NC1=CC=C(N2CCNC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226950	1	42	-1.0	-58.61	341.34	2.10	-56.51
CSCC[C@H](NC(=O)NC1=CC=C(N2CCNC2=O)C=C1)C1=N[N-]N=N1	REAL300020226951	0	45	-1.0	-52.03	384.81	2.04	-49.99
CSCC[C@H](NC(=O)NC1=CC=C(N2CCNC2=O)C=C1)C1=NN=N[N-]1	REAL300020226951	1	45	-1.0	-52.06	384.87	2.05	-50.01
O=C(NC1=CC=C(N2CCNC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226952	0	42	-1.0	-57.17	342.66	2.15	-55.02
O=C(NC1=CC=C(N2CCNC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226952	1	42	-1.0	-57.17	342.73	2.16	-55.01
O=C(NC1=CC=C(N2CCNC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226953	0	48	-1.0	-62.02	364.92	3.94	-58.08
O=C(NC1=CC=C(N2CCNC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226953	1	48	-1.0	-62.01	364.97	3.94	-58.07
O=C(NC1=CC=C(N2CCCC2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226954	0	46	-1.0	-42.25	377.30	4.70	-37.55
O=C(NC1=CC=C(N2CCCC2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226954	1	46	-1.0	-42.26	377.24	4.67	-37.59
O=C(NC1=CC=C(N2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226955	0	46	-1.0	-46.81	358.13	4.15	-42.66
O=C(NC1=CC=C(N2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226955	1	46	-1.0	-46.86	358.19	4.16	-42.70
O=C(NC1=CC=C(N2CCCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226956	0	43	-1.0	-53.20	342.39	3.34	-49.86
O=C(NC1=CC=C(N2CCCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226956	1	43	-1.0	-53.23	342.45	3.37	-49.86
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2)N=C1)C1=N[N-]N=N1	REAL300020226957	0	46	-1.0	-46.61	386.06	3.28	-43.33
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2)N=C1)C1=NN=N[N-]1	REAL300020226957	1	46	-1.0	-46.61	386.12	3.30	-43.31
O=C(NC1=CC=C(N2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226958	0	43	-1.0	-43.29	343.93	3.38	-39.91
O=C(NC1=CC=C(N2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226958	1	43	-1.0	-43.32	344.00	3.39	-39.93
O=C(NC1=CC=C(N2CCCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226959	0	49	-1.0	-42.89	370.77	4.38	-38.51
O=C(NC1=CC=C(N2CCCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226959	1	49	-1.0	-42.87	370.83	4.39	-38.48
CN(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020226960	0	42	-1.0	-43.30	352.58	4.52	-38.78
CN(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020226960	1	42	-1.0	-43.25	352.53	4.50	-38.75
CN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020226961	0	42	-1.0	-47.74	332.85	4.06	-43.68
CN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020226961	1	42	-1.0	-47.77	332.91	4.08	-43.69
CN(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020226962	0	39	-1.0	-53.71	317.47	3.21	-50.50
CN(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020226962	1	39	-1.0	-53.71	317.52	3.23	-50.48
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C)N=C1)C1=N[N-]N=N1	REAL300020226963	0	42	-1.0	-47.56	360.40	3.26	-44.30
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C)N=C1)C1=NN=N[N-]1	REAL300020226963	1	42	-1.0	-47.53	360.46	3.27	-44.26
CN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020226964	0	39	-1.0	-44.94	320.12	3.29	-41.65
CN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020226964	1	39	-1.0	-44.92	320.19	3.30	-41.62
CN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020226965	0	45	-1.0	-43.16	347.74	4.25	-38.91
CN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020226965	1	45	-1.0	-43.18	347.79	4.27	-38.91
O=C(NC1=CC=C(N2CCCCC2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226966	0	49	-1.0	-41.76	394.06	5.46	-36.30
O=C(NC1=CC=C(N2CCCCC2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226966	1	49	-1.0	-41.75	394.01	5.43	-36.32
O=C(NC1=CC=C(N2CCCCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226967	0	49	-1.0	-46.89	374.89	4.91	-41.98
O=C(NC1=CC=C(N2CCCCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226967	1	49	-1.0	-46.89	374.95	4.92	-41.97
O=C(NC1=CC=C(N2CCCCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226968	0	46	-1.0	-51.78	359.51	4.06	-47.72
O=C(NC1=CC=C(N2CCCCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226968	1	46	-1.0	-51.76	359.57	4.07	-47.69
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCCC2)N=C1)C1=N[N-]N=N1	REAL300020226969	0	49	-1.0	-46.21	402.82	4.04	-42.17
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCCC2)N=C1)C1=NN=N[N-]1	REAL300020226969	1	49	-1.0	-46.26	402.87	4.06	-42.20
O=C(NC1=CC=C(N2CCCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226970	0	46	-1.0	-43.54	360.69	4.14	-39.40
O=C(NC1=CC=C(N2CCCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226970	1	46	-1.0	-43.57	360.76	4.15	-39.42
O=C(NC1=CC=C(N2CCCCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226971	0	52	-1.0	-42.13	389.29	5.11	-37.02
O=C(NC1=CC=C(N2CCCCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226971	1	52	-1.0	-42.11	389.34	5.12	-36.99
CC1=NN(C)C2=NC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020226972	0	43	-1.0	-44.67	369.35	4.58	-40.09
CC1=NN(C)C2=NC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020226972	1	43	-1.0	-44.72	369.29	4.56	-40.16
CC1=NN(C)C2=NC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C12	REAL300020226973	0	43	-1.0	-48.38	350.57	3.97	-44.41
CC1=NN(C)C2=NC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C12	REAL300020226973	1	43	-1.0	-48.33	350.63	3.99	-44.34
CC1=NN(C)C2=NC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL300020226974	0	40	-1.0	-54.26	335.24	3.12	-51.14
CC1=NN(C)C2=NC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL300020226974	1	40	-1.0	-54.30	335.30	3.15	-51.15
CSCC[C@H](NC(=O)NC1=CN=C2C(=C1)C(C)=NN2C)C1=N[N-]N=N1	REAL300020226975	0	43	-1.0	-48.56	378.51	3.11	-45.45
CSCC[C@H](NC(=O)NC1=CN=C2C(=C1)C(C)=NN2C)C1=NN=N[N-]1	REAL300020226975	1	43	-1.0	-48.53	378.57	3.13	-45.40
CC1=NN(C)C2=NC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020226976	0	40	-1.0	-46.22	336.37	3.19	-43.03
CC1=NN(C)C2=NC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020226976	1	40	-1.0	-46.23	336.44	3.20	-43.03
CC1=NN(C)C2=NC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020226977	0	46	-1.0	-42.73	363.19	4.20	-38.53
CC1=NN(C)C2=NC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020226977	1	46	-1.0	-42.75	363.23	4.22	-38.53
COC(=O)C1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226978	0	41	-1.0	-61.28	362.52	5.55	-55.73
COC(=O)C1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226978	1	41	-1.0	-61.26	362.47	5.53	-55.73
COC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020226979	0	41	-1.0	-48.79	344.90	5.06	-43.73
COC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020226979	1	41	-1.0	-48.77	344.96	5.07	-43.70
COC(=O)C1=CC=C(F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020226980	0	38	-1.0	-62.40	329.20	4.15	-58.25
COC(=O)C1=CC=C(F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020226980	1	38	-1.0	-62.40	329.26	4.18	-58.22
COC(=O)C1=CC=C(F)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020226981	0	41	-1.0	-54.66	371.89	4.11	-50.55
COC(=O)C1=CC=C(F)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020226981	1	41	-1.0	-54.70	371.95	4.13	-50.57
COC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020226982	0	38	-1.0	-48.81	330.54	4.21	-44.60
COC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020226982	1	38	-1.0	-48.80	330.61	4.22	-44.58
COC(=O)C1=CC=C(F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020226983	0	44	-1.0	-53.87	352.44	5.94	-47.93
COC(=O)C1=CC=C(F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020226983	1	44	-1.0	-53.78	352.50	5.94	-47.84
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(CN2CCOC2=O)=C1	REAL300020226984	0	47	-1.0	-65.37	400.78	5.61	-59.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(CN2CCOC2=O)=C1	REAL300020226984	1	47	-1.0	-65.36	400.84	5.64	-59.72
O=C(NC1=CC=CC(CN2CCOC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226985	0	47	-1.0	-55.04	380.63	5.17	-49.87
O=C(NC1=CC=CC(CN2CCOC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226985	1	47	-1.0	-55.10	380.69	5.19	-49.91
O=C(NC1=CC(CN2CCOC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020226986	0	44	-1.0	-61.94	366.48	4.22	-57.72
O=C(NC1=CC(CN2CCOC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020226986	1	44	-1.0	-61.91	366.54	4.24	-57.67
CSCC[C@H](NC(=O)NC1=CC=CC(CN2CCOC2=O)=C1)C1=N[N-]N=N1	REAL300020226987	0	47	-1.0	-54.97	409.71	4.21	-50.76
CSCC[C@H](NC(=O)NC1=CC=CC(CN2CCOC2=O)=C1)C1=NN=N[N-]1	REAL300020226987	1	47	-1.0	-55.00	409.77	4.22	-50.78
O=C(NC1=CC=CC(CN2CCOC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226988	0	44	-1.0	-62.79	367.82	4.26	-58.53
O=C(NC1=CC=CC(CN2CCOC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226988	1	44	-1.0	-62.81	367.89	4.28	-58.53
O=C(NC1=CC(CN2CCOC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226989	0	50	-1.0	-45.03	396.21	5.31	-39.72
O=C(NC1=CC(CN2CCOC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226989	1	50	-1.0	-45.03	396.27	5.33	-39.70
CCOC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020226990	0	46	-1.0	-64.28	392.22	3.93	-60.35
CCOC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020226990	1	46	-1.0	-64.26	392.16	3.90	-60.36
CCOC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020226991	0	46	-1.0	-49.19	373.01	3.45	-45.74
CCOC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020226991	1	46	-1.0	-49.20	373.06	3.47	-45.73
CCOC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020226992	0	43	-1.0	-64.49	357.31	2.54	-61.95
CCOC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020226992	1	43	-1.0	-64.50	357.37	2.56	-61.94
CCOC(=O)NC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020226993	0	46	-1.0	-48.03	400.83	2.51	-45.52
CCOC(=O)NC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020226993	1	46	-1.0	-48.01	400.89	2.52	-45.49
CCOC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020226994	0	43	-1.0	-51.52	359.03	2.57	-48.95
CCOC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020226994	1	43	-1.0	-51.55	359.10	2.59	-48.96
CCOC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020226995	0	49	-1.0	-54.59	380.88	4.33	-50.26
CCOC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020226995	1	49	-1.0	-54.58	380.92	4.34	-50.24
CCC(C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1)C1=CC=CC=C1	REAL300020226996	0	48	-2.0	-97.16	403.98	6.59	-90.57
CCC(C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1)C1=CC=CC=C1	REAL300020226996	1	48	-2.0	-97.15	404.04	6.61	-90.54
CCC(C1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1)C1=CC=CC=C1	REAL300020226997	0	45	-2.0	-122.17	388.19	5.48	-116.69
CCC(C1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1)C1=CC=CC=C1	REAL300020226997	1	45	-2.0	-122.20	388.25	5.50	-116.70
CCC(C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1)C1=CC=CC=C1	REAL300020226998	0	45	-2.0	-99.22	388.93	5.53	-93.69
CCC(C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1)C1=CC=CC=C1	REAL300020226998	1	45	-2.0	-99.18	389.01	5.54	-93.64
CCNC(=O)C1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020226999	0	48	-1.0	-53.37	399.10	4.82	-48.55
CCNC(=O)C1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020226999	1	48	-1.0	-53.37	399.04	4.79	-48.58
CCNC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227000	0	48	-1.0	-54.39	378.30	4.23	-50.16
CCNC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227000	1	48	-1.0	-54.47	378.36	4.25	-50.22
CCNC(=O)C1=CC=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227001	0	45	-1.0	-68.28	364.20	3.35	-64.93
CCNC(=O)C1=CC=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227001	1	45	-1.0	-68.29	364.26	3.37	-64.92
CCNC(=O)C1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020227002	0	48	-1.0	-58.79	408.72	3.37	-55.42
CCNC(=O)C1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020227002	1	48	-1.0	-58.81	408.78	3.39	-55.42
CCNC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227003	0	45	-1.0	-57.43	366.57	3.45	-53.98
CCNC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227003	1	45	-1.0	-57.44	366.64	3.46	-53.98
CCNC(=O)C1=CC=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227004	0	51	-1.0	-62.79	387.16	5.11	-57.68
CCNC(=O)C1=CC=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227004	1	51	-1.0	-62.81	387.22	5.11	-57.70
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2CCNC2=O)=C1	REAL300020227005	0	45	-1.0	-58.75	375.64	3.52	-55.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2CCNC2=O)=C1	REAL300020227005	1	45	-1.0	-58.73	375.58	3.50	-55.23
O=C(NC1=CC=CC(N2CCNC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227006	0	45	-1.0	-51.74	356.63	3.01	-48.73
O=C(NC1=CC=CC(N2CCNC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227006	1	45	-1.0	-51.76	356.68	3.02	-48.74
O=C(NC1=CC(N2CCNC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227007	0	42	-1.0	-62.01	341.26	2.10	-59.91
O=C(NC1=CC(N2CCNC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227007	1	42	-1.0	-62.02	341.32	2.11	-59.91
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL300020227008	0	45	-1.0	-55.95	384.51	2.09	-53.86
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL300020227008	1	45	-1.0	-55.96	384.57	2.11	-53.85
O=C(NC1=CC=CC(N2CCNC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227009	0	42	-1.0	-51.52	342.33	2.17	-49.35
O=C(NC1=CC=CC(N2CCNC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227009	1	42	-1.0	-51.58	342.40	2.18	-49.40
O=C(NC1=CC(N2CCNC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227010	0	48	-1.0	-58.70	370.93	3.06	-55.64
O=C(NC1=CC(N2CCNC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227010	1	48	-1.0	-58.65	370.97	3.08	-55.57
CC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227011	0	49	-1.0	-58.09	397.64	6.25	-51.84
CC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227011	1	49	-1.0	-58.09	397.70	6.26	-51.83
CC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227012	0	49	-1.0	-48.33	399.16	6.30	-42.03
CC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227012	1	49	-1.0	-48.34	399.24	6.32	-42.02
CC1=CC=C(C(=O)NCC(F)(F)F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227013	0	45	-1.0	-63.58	383.52	3.82	-59.76
CC1=CC=C(C(=O)NCC(F)(F)F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227013	1	45	-1.0	-63.56	383.58	3.83	-59.73
CC1=CC=C(C(=O)NCC(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227014	0	45	-1.0	-53.67	384.87	3.88	-49.79
CC1=CC=C(C(=O)NCC(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227014	1	45	-1.0	-53.68	384.95	3.90	-49.78
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(OC(F)F)=C1	REAL300020227015	0	39	-1.0	-57.87	342.56	4.34	-53.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(OC(F)F)=C1	REAL300020227015	1	39	-1.0	-57.95	342.50	4.31	-53.64
O=C(NC1=CC=CC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227016	0	39	-1.0	-45.32	322.15	3.91	-41.41
O=C(NC1=CC=CC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227016	1	39	-1.0	-45.37	322.21	3.92	-41.45
O=C(NC1=CC=CC(OC(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227017	0	36	-1.0	-59.16	307.75	2.97	-56.19
O=C(NC1=CC=CC(OC(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227017	1	36	-1.0	-59.18	307.81	2.99	-56.19
CSCC[C@H](NC(=O)NC1=CC=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300020227018	0	39	-1.0	-52.28	351.54	2.90	-49.38
CSCC[C@H](NC(=O)NC1=CC=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300020227018	1	39	-1.0	-52.33	351.59	2.92	-49.41
O=C(NC1=CC=CC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227019	0	36	-1.0	-47.79	309.39	3.00	-44.79
O=C(NC1=CC=CC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227019	1	36	-1.0	-47.75	309.46	3.01	-44.74
O=C(NC1=CC=CC(OC(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227020	0	42	-1.0	-43.28	337.77	4.05	-39.23
O=C(NC1=CC=CC(OC(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227020	1	42	-1.0	-43.32	337.83	4.08	-39.24
COC1=CC=C(OC(F)F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227021	0	43	-1.0	-57.79	370.90	3.75	-54.04
COC1=CC=C(OC(F)F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227021	1	43	-1.0	-57.79	370.84	3.72	-54.07
COC1=CC=C(OC(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227022	0	43	-1.0	-47.34	352.26	3.24	-44.10
COC1=CC=C(OC(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227022	1	43	-1.0	-47.38	352.32	3.26	-44.12
COC1=CC=C(OC(F)F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227023	0	40	-1.0	-57.32	335.75	2.35	-54.97
COC1=CC=C(OC(F)F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227023	1	40	-1.0	-57.34	335.81	2.37	-54.97
COC1=CC=C(OC(F)F)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020227024	0	43	-1.0	-50.25	380.06	2.33	-47.92
COC1=CC=C(OC(F)F)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020227024	1	43	-1.0	-50.30	380.12	2.34	-47.96
COC1=CC=C(OC(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227025	0	40	-1.0	-47.17	337.12	2.40	-44.77
COC1=CC=C(OC(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227025	1	40	-1.0	-47.19	337.19	2.42	-44.77
COC1=CC=C(OC(F)F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227026	0	46	-1.0	-53.77	359.75	4.14	-49.63
COC1=CC=C(OC(F)F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227026	1	46	-1.0	-53.77	359.81	4.15	-49.62
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(=O)N1CCCC1	REAL300020227027	0	52	-1.0	-45.25	406.42	6.28	-38.97
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(=O)N1CCCC1	REAL300020227027	1	52	-1.0	-45.26	406.48	6.29	-38.97
CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(=O)N1CCCC1	REAL300020227028	0	49	-1.0	-52.86	391.71	5.34	-47.52
CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(=O)N1CCCC1	REAL300020227028	1	49	-1.0	-52.86	391.77	5.36	-47.50
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(=O)N1CCCC1	REAL300020227029	0	49	-1.0	-44.80	393.05	5.39	-39.41
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(=O)N1CCCC1	REAL300020227029	1	49	-1.0	-44.78	393.13	5.40	-39.38
CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(=O)N1CCCC1	REAL300020227030	0	55	-1.0	-58.76	415.88	7.15	-51.61
CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(=O)N1CCCC1	REAL300020227030	1	55	-1.0	-58.76	415.94	7.15	-51.61
CC1=CC=C(N2C=NN=N2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227031	0	43	-1.0	-71.90	369.90	5.85	-66.05
CC1=CC=C(N2C=NN=N2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227031	1	43	-1.0	-71.89	369.84	5.82	-66.07
CC1=CC=C(N2C=NN=N2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227032	0	43	-1.0	-54.96	348.02	5.07	-49.89
CC1=CC=C(N2C=NN=N2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227032	1	43	-1.0	-54.97	347.97	5.05	-49.92
CC1=CC=C(N2C=NN=N2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227033	0	40	-1.0	-73.42	335.57	4.48	-68.94
CC1=CC=C(N2C=NN=N2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227033	1	40	-1.0	-73.40	335.51	4.47	-68.93
CSCC[C@H](NC(=O)NC1=CC(N2C=NN=N2)=CC=C1C)C1=NN=N[N-]1	REAL300020227034	0	43	-1.0	-64.81	378.18	4.37	-60.44
CSCC[C@H](NC(=O)NC1=CC(N2C=NN=N2)=CC=C1C)C1=N[N-]N=N1	REAL300020227034	1	43	-1.0	-64.85	378.12	4.36	-60.49
CC1=CC=C(N2C=NN=N2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227035	0	40	-1.0	-58.35	336.02	4.46	-53.89
CC1=CC=C(N2C=NN=N2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227035	1	40	-1.0	-58.33	335.95	4.45	-53.88
CC1=CC=C(N2C=NN=N2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227036	0	46	-1.0	-47.52	358.46	5.46	-42.06
CC1=CC=C(N2C=NN=N2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227036	1	46	-1.0	-47.47	358.42	5.45	-42.02
O=C(NC1=CC=C(COCC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227037	0	45	-1.0	-45.76	380.40	5.47	-40.29
O=C(NC1=CC=C(COCC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227037	1	45	-1.0	-45.77	380.46	5.48	-40.29
O=C(NC1=CC=C(COCC(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227038	0	42	-1.0	-55.49	365.24	4.53	-50.96
O=C(NC1=CC=C(COCC(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227038	1	42	-1.0	-55.44	365.30	4.55	-50.89
O=C(NC1=CC=C(COCC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227039	0	42	-1.0	-47.07	366.36	4.61	-42.46
O=C(NC1=CC=C(COCC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227039	1	42	-1.0	-47.05	366.43	4.62	-42.43
O=C(NC1=CC=C(COCC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227040	0	48	-1.0	-54.84	388.54	6.36	-48.48
O=C(NC1=CC=C(COCC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227040	1	48	-1.0	-54.82	388.59	6.37	-48.45
CC1=CC=C(C(=O)NC2=CC=CC=C2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227041	0	49	-1.0	-76.28	397.60	6.25	-70.03
CC1=CC=C(C(=O)NC2=CC=CC=C2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227041	1	49	-1.0	-76.32	397.66	6.26	-70.06
CC1=CC=C(C(=O)NC2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227042	0	49	-1.0	-58.76	399.37	6.30	-52.46
CC1=CC=C(C(=O)NC2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227042	1	49	-1.0	-58.75	399.45	6.31	-52.44
O=C(NC1=CC=C(OC2CCCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227043	0	49	-1.0	-42.67	397.46	6.95	-35.72
O=C(NC1=CC=C(OC2CCCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227043	1	49	-1.0	-42.70	397.40	6.93	-35.77
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227044	0	49	-1.0	-44.73	379.52	6.52	-38.21
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227044	1	49	-1.0	-44.73	379.57	6.53	-38.20
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227045	0	46	-1.0	-53.51	363.06	5.60	-47.91
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227045	1	46	-1.0	-53.52	363.12	5.62	-47.90
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCCC2)C=C1)C1=N[N-]N=N1	REAL300020227046	0	49	-1.0	-47.74	406.74	5.56	-42.18
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCCC2)C=C1)C1=NN=N[N-]1	REAL300020227046	1	49	-1.0	-47.75	406.80	5.58	-42.17
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227047	0	46	-1.0	-43.96	364.61	5.65	-38.31
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227047	1	46	-1.0	-43.95	364.68	5.66	-38.29
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227048	0	52	-1.0	-49.99	386.26	7.39	-42.60
O=C(NC1=CC=C(OC2CCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227048	1	52	-1.0	-49.96	386.31	7.39	-42.57
COCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227049	0	42	-1.0	-48.20	352.84	4.80	-43.40
COCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227049	1	42	-1.0	-48.17	352.79	4.78	-43.39
COCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227050	0	42	-1.0	-42.92	333.26	4.32	-38.60
COCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227050	1	42	-1.0	-42.96	333.32	4.33	-38.63
COCC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227051	0	39	-1.0	-54.38	319.46	3.42	-50.96
COCC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227051	1	39	-1.0	-54.37	319.52	3.45	-50.92
COCC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227052	0	42	-1.0	-47.22	362.15	3.37	-43.85
COCC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227052	1	42	-1.0	-47.19	362.21	3.39	-43.80
COCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227053	0	39	-1.0	-43.54	320.84	3.48	-40.06
COCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227053	1	39	-1.0	-43.53	320.91	3.50	-40.03
COCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227054	0	45	-1.0	-49.85	342.44	5.31	-44.54
COCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227054	1	45	-1.0	-49.81	342.50	5.31	-44.50
O=C(NC1=CC=CC=C1COCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227055	0	52	-1.0	-44.89	415.81	8.33	-36.56
O=C(NC1=CC=CC=C1COCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227055	1	52	-1.0	-44.84	415.87	8.35	-36.49
O=C(NC1=CC=CC=C1COCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227056	0	49	-1.0	-55.34	401.22	7.45	-47.89
O=C(NC1=CC=CC=C1COCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227056	1	49	-1.0	-55.37	401.28	7.47	-47.90
O=C(NC1=CC=CC=C1COCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227057	0	49	-1.0	-44.59	401.75	7.49	-37.10
O=C(NC1=CC=CC=C1COCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227057	1	49	-1.0	-44.59	401.83	7.50	-37.09
O=C(NC1=CC=C(CN2CCCC2=O)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227058	0	49	-1.0	-59.46	410.24	6.58	-52.88
O=C(NC1=CC=C(CN2CCCC2=O)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227058	1	49	-1.0	-59.43	410.30	6.60	-52.83
O=C(NC1=CC=C(CN2CCCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227059	0	49	-1.0	-51.88	391.36	6.08	-45.80
O=C(NC1=CC=C(CN2CCCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227059	1	49	-1.0	-51.88	391.42	6.09	-45.79
O=C(NC1=CC=C(CN2CCCC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227060	0	46	-1.0	-57.15	376.21	5.12	-52.03
O=C(NC1=CC=C(CN2CCCC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227060	1	46	-1.0	-57.16	376.27	5.14	-52.02
CSCC[C@H](NC(=O)NC1=CC=C(CN2CCCC2=O)C=C1)C1=N[N-]N=N1	REAL300020227061	0	49	-1.0	-56.49	419.49	5.13	-51.36
CSCC[C@H](NC(=O)NC1=CC=C(CN2CCCC2=O)C=C1)C1=NN=N[N-]1	REAL300020227061	1	49	-1.0	-56.51	419.55	5.15	-51.36
O=C(NC1=CC=C(CN2CCCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227062	0	46	-1.0	-47.81	377.58	5.18	-42.63
O=C(NC1=CC=C(CN2CCCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227062	1	46	-1.0	-47.75	377.65	5.19	-42.56
O=C(NC1=CC=C(CN2CCCC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227063	0	52	-1.0	-60.66	399.50	6.96	-53.70
O=C(NC1=CC=C(CN2CCCC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227063	1	52	-1.0	-60.66	399.55	6.98	-53.68
N#CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227064	0	40	-1.0	-50.77	354.03	4.76	-46.01
N#CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227064	1	40	-1.0	-50.82	353.97	4.74	-46.08
N#CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227065	0	40	-1.0	-53.81	334.90	4.29	-49.52
N#CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227065	1	40	-1.0	-53.87	334.95	4.31	-49.56
N#CCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227066	0	37	-1.0	-66.75	319.20	3.40	-63.35
N#CCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227066	1	37	-1.0	-66.76	319.26	3.42	-63.34
CSCC[C@H](NC(=O)NC1=CC=CC(OCC#N)=C1)C1=N[N-]N=N1	REAL300020227067	0	40	-1.0	-59.52	363.02	3.34	-56.18
CSCC[C@H](NC(=O)NC1=CC=CC(OCC#N)=C1)C1=NN=N[N-]1	REAL300020227067	1	40	-1.0	-59.57	363.08	3.35	-56.22
N#CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227068	0	37	-1.0	-53.91	320.86	3.43	-50.48
N#CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227068	1	37	-1.0	-53.95	320.93	3.44	-50.51
N#CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227069	0	43	-1.0	-47.87	349.24	4.48	-43.39
N#CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227069	1	43	-1.0	-47.90	349.29	4.51	-43.39
O=C(NC1=CC=C(SC(F)(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227070	0	39	-1.0	-49.18	359.52	6.23	-42.95
O=C(NC1=CC=C(SC(F)(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227070	1	39	-1.0	-49.19	359.57	6.26	-42.93
O=C(NC1=CC=C(SC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227071	0	39	-1.0	-43.87	339.24	5.80	-38.07
O=C(NC1=CC=C(SC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227071	1	39	-1.0	-43.92	339.30	5.82	-38.10
O=C(NC1=CC=C(SC(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227072	0	36	-1.0	-50.88	324.94	4.85	-46.03
O=C(NC1=CC=C(SC(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227072	1	36	-1.0	-50.90	325.00	4.87	-46.03
CSCC[C@H](NC(=O)NC1=CC=C(SC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020227073	0	39	-1.0	-45.88	368.43	4.82	-41.06
CSCC[C@H](NC(=O)NC1=CC=C(SC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020227073	1	39	-1.0	-45.86	368.49	4.83	-41.03
O=C(NC1=CC=C(SC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227074	0	36	-1.0	-44.20	326.57	4.89	-39.31
O=C(NC1=CC=C(SC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227074	1	36	-1.0	-44.23	326.64	4.89	-39.34
O=C(NC1=CC=C(SC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227075	0	42	-1.0	-49.79	349.12	6.75	-43.04
O=C(NC1=CC=C(SC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227075	1	42	-1.0	-49.83	349.18	6.75	-43.08
CC1=CC(Br)=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227076	0	41	-1.0	-41.56	345.31	6.54	-35.02
CC1=CC(Br)=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227076	1	41	-1.0	-41.61	345.36	6.55	-35.06
CC1=CC(Br)=CC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227077	0	38	-1.0	-50.52	327.04	5.45	-45.07
CC1=CC(Br)=CC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227077	1	38	-1.0	-50.53	327.10	5.46	-45.07
CSCC[C@H](NC(=O)NC1=C(C)C=C(Br)C=C1C)C1=N[N-]N=N1	REAL300020227078	0	41	-1.0	-44.30	369.83	5.27	-39.03
CSCC[C@H](NC(=O)NC1=C(C)C=C(Br)C=C1C)C1=NN=N[N-]1	REAL300020227078	1	41	-1.0	-44.31	369.88	5.28	-39.03
CC1=CC(Br)=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227079	0	38	-1.0	-42.79	334.85	5.85	-36.94
CC1=CC(Br)=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227079	1	38	-1.0	-42.77	334.92	5.86	-36.91
CC1=CC(Br)=CC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227080	0	44	-1.0	-46.43	351.05	7.24	-39.19
CC1=CC(Br)=CC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227080	1	44	-1.0	-46.43	351.09	7.24	-39.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C(F)=C1	REAL300020227081	0	35	-1.0	-56.84	325.90	5.32	-51.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C(F)=C1	REAL300020227081	1	35	-1.0	-56.85	325.84	5.30	-51.55
O=C(NC1=CC=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227082	0	35	-1.0	-41.01	306.64	4.85	-36.16
O=C(NC1=CC=C(Cl)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227082	1	35	-1.0	-40.99	306.70	4.87	-36.12
O=C(NC1=CC=C(Cl)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227083	0	32	-1.0	-56.91	291.09	3.96	-52.95
O=C(NC1=CC=C(Cl)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227083	1	32	-1.0	-56.91	291.15	3.98	-52.93
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300020227084	0	35	-1.0	-43.07	334.60	3.92	-39.15
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300020227084	1	35	-1.0	-43.03	334.66	3.94	-39.09
O=C(NC1=CC=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227085	0	32	-1.0	-45.64	292.47	4.02	-41.62
O=C(NC1=CC=C(Cl)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227085	1	32	-1.0	-45.64	292.54	4.02	-41.62
O=C(NC1=CC=C(Cl)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227086	0	38	-1.0	-37.75	321.13	5.04	-32.71
O=C(NC1=CC=C(Cl)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227086	1	38	-1.0	-37.74	321.18	5.07	-32.67
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1)C1=CC=CC=C1	REAL300020227087	0	49	-1.0	-47.66	396.04	6.30	-41.36
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1)C1=CC=CC=C1	REAL300020227087	1	49	-1.0	-47.69	396.09	6.31	-41.38
O=C(NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020227088	0	46	-1.0	-55.43	380.66	5.38	-50.05
O=C(NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020227088	1	46	-1.0	-55.37	380.72	5.40	-49.97
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)C1=CC=CC=C1	REAL300020227089	0	46	-1.0	-47.35	382.00	5.46	-41.89
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C1=CC=CC=C1	REAL300020227089	1	46	-1.0	-47.36	382.08	5.46	-41.90
CC1CN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2F)CC(C)O1	REAL300020227090	0	51	-1.0	-58.38	400.41	4.23	-54.15
CC1CN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2F)CC(C)O1	REAL300020227090	1	51	-1.0	-58.42	400.47	4.24	-54.18
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2F)CC(C)O1	REAL300020227091	0	51	-1.0	-46.29	401.79	4.28	-42.01
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2F)CC(C)O1	REAL300020227091	1	51	-1.0	-46.33	401.86	4.29	-42.04
C=CCN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227092	0	47	-1.0	-58.39	399.38	2.79	-55.60
C=CCN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227092	1	47	-1.0	-58.39	399.44	2.81	-55.58
C=CCN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227093	0	47	-1.0	-48.85	398.71	2.87	-45.98
C=CCN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227093	1	47	-1.0	-48.84	398.79	2.88	-45.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C=C1Br	REAL300020227094	0	35	-1.0	-38.37	327.27	5.58	-32.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C=C1Br	REAL300020227094	1	35	-1.0	-38.37	327.33	5.61	-32.76
O=C(NC1=CC=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227095	0	35	-1.0	-39.38	309.33	5.13	-34.25
O=C(NC1=CC=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227095	1	35	-1.0	-39.39	309.39	5.14	-34.25
O=C(NC1=CC=C(F)C=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020227096	0	32	-1.0	-48.01	294.02	4.22	-43.79
O=C(NC1=CC=C(F)C=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020227096	1	32	-1.0	-48.04	294.08	4.25	-43.79
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1Br)C1=N[N-]N=N1	REAL300020227097	0	35	-1.0	-41.85	337.56	4.20	-37.65
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1Br)C1=NN=N[N-]1	REAL300020227097	1	35	-1.0	-41.86	337.62	4.21	-37.65
O=C(NC1=CC=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020227098	0	32	-1.0	-39.48	295.37	4.27	-35.21
O=C(NC1=CC=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020227098	1	32	-1.0	-39.49	295.45	4.28	-35.21
O=C(NC1=CC=C(F)C=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020227099	0	38	-1.0	-44.67	316.92	6.11	-38.56
O=C(NC1=CC=C(F)C=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020227099	1	38	-1.0	-44.70	316.97	6.11	-38.59
COC1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227100	0	38	-1.0	-47.21	328.51	1.66	-45.55
COC1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227100	1	38	-1.0	-47.21	328.45	1.64	-45.57
COC1=NC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227101	0	38	-1.0	-42.87	308.68	1.16	-41.71
COC1=NC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227101	1	38	-1.0	-42.87	308.62	1.15	-41.72
COC1=NC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227102	0	38	-1.0	-45.93	337.73	0.20	-45.73
COC1=NC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227102	1	38	-1.0	-45.93	337.67	0.19	-45.74
COC1=NC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227103	0	41	-1.0	-46.93	316.34	2.03	-44.90
COC1=NC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227103	1	41	-1.0	-46.89	316.29	2.02	-44.87
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227104	0	51	0.0	-64.89	411.53	6.44	-58.45
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227104	1	51	0.0	-64.88	411.47	6.42	-58.46
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227105	0	51	0.0	-69.22	391.00	5.91	-63.31
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227105	1	51	0.0	-69.23	391.06	5.92	-63.31
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227106	0	48	0.0	-68.43	376.68	5.08	-63.35
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227106	1	48	0.0	-68.41	376.74	5.10	-63.31
CSCC[C@H](NC(=O)NC1=CC=CC(OCC[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300020227107	0	51	0.0	-63.46	420.52	5.00	-58.46
CSCC[C@H](NC(=O)NC1=CC=CC(OCC[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300020227107	1	51	0.0	-63.44	420.58	5.01	-58.43
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227108	0	48	0.0	-63.74	378.38	5.09	-58.65
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227108	1	48	0.0	-63.74	378.46	5.11	-58.63
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227109	0	54	0.0	-58.03	406.76	6.15	-51.88
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227109	1	54	0.0	-57.96	406.82	6.17	-51.79
O=C(NC1=CC=CC(C(=O)N2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227110	0	50	-1.0	-56.65	390.09	3.82	-52.83
O=C(NC1=CC=CC(C(=O)N2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227110	1	50	-1.0	-56.70	390.14	3.84	-52.86
O=C(NC1=CC(C(=O)N2CCOCC2)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227111	0	47	-1.0	-71.73	374.76	2.90	-68.83
O=C(NC1=CC(C(=O)N2CCOCC2)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227111	1	47	-1.0	-71.75	374.82	2.92	-68.83
O=C(NC1=CC=CC(C(=O)N2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227112	0	47	-1.0	-57.31	374.37	2.88	-54.43
O=C(NC1=CC=CC(C(=O)N2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227112	1	47	-1.0	-57.35	374.45	2.90	-54.45
O=C(NC1=CC(C(=O)N2CCOCC2)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227113	0	53	-1.0	-46.22	403.21	4.08	-42.14
O=C(NC1=CC(C(=O)N2CCOCC2)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227113	1	53	-1.0	-46.17	403.25	4.09	-42.08
O=C(NC1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227114	0	50	-1.0	-49.42	388.72	3.78	-45.64
O=C(NC1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227114	1	50	-1.0	-49.39	388.78	3.80	-45.59
O=C(NC1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227115	0	47	-1.0	-58.46	372.52	2.85	-55.61
O=C(NC1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227115	1	47	-1.0	-58.44	372.57	2.86	-55.58
O=C(NC1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227116	0	47	-1.0	-51.56	373.62	2.88	-48.68
O=C(NC1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227116	1	47	-1.0	-51.53	373.70	2.88	-48.65
O=C(NC1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227117	0	53	-1.0	-57.95	394.58	4.74	-53.21
O=C(NC1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227117	1	53	-1.0	-58.01	394.61	4.75	-53.26
CNC(=O)C1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227118	0	42	-1.0	-67.02	373.16	3.69	-63.33
CNC(=O)C1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227118	1	42	-1.0	-67.01	373.10	3.67	-63.34
CNC(=O)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227119	0	42	-1.0	-53.52	355.61	3.19	-50.33
CNC(=O)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227119	1	42	-1.0	-53.54	355.67	3.21	-50.33
CNC(=O)C1=CC=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227120	0	39	-1.0	-68.71	339.91	2.31	-66.40
CNC(=O)C1=CC=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227120	1	39	-1.0	-68.70	339.97	2.33	-66.37
CNC(=O)C1=CC=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020227121	0	42	-1.0	-60.56	382.52	2.23	-58.33
CNC(=O)C1=CC=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020227121	1	42	-1.0	-60.55	382.58	2.24	-58.31
CNC(=O)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227122	0	39	-1.0	-53.56	341.25	2.35	-51.21
CNC(=O)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227122	1	39	-1.0	-53.54	341.33	2.36	-51.18
CNC(=O)C1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227123	0	45	-1.0	-58.62	363.20	4.09	-54.53
CNC(=O)C1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227123	1	45	-1.0	-58.59	363.26	4.09	-54.50
CC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020227124	0	45	-1.0	-49.87	372.37	5.63	-44.24
CC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020227124	1	45	-1.0	-49.84	372.32	5.60	-44.24
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227125	0	45	-1.0	-44.85	351.66	5.17	-39.68
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227125	1	45	-1.0	-44.89	351.71	5.19	-39.70
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227126	0	42	-1.0	-55.03	338.64	4.29	-50.74
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227126	1	42	-1.0	-55.04	338.69	4.30	-50.74
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C=C1)C1=N[N-]N=N1	REAL300020227127	0	45	-1.0	-47.83	381.44	4.20	-43.63
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C=C1)C1=NN=N[N-]1	REAL300020227127	1	45	-1.0	-47.86	381.50	4.22	-43.64
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227128	0	42	-1.0	-45.32	339.40	4.26	-41.06
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227128	1	42	-1.0	-45.32	339.48	4.27	-41.05
CC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227129	0	48	-1.0	-50.18	361.54	6.05	-44.13
CC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227129	1	48	-1.0	-50.22	361.59	6.05	-44.17
CCC(=O)NC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227130	0	45	-1.0	-51.75	393.21	5.09	-46.66
CCC(=O)NC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227130	1	45	-1.0	-51.74	393.26	5.11	-46.63
CCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227131	0	45	-1.0	-43.93	375.58	4.63	-39.30
CCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227131	1	45	-1.0	-43.95	375.64	4.64	-39.31
CCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227132	0	42	-1.0	-54.01	359.69	3.74	-50.27
CCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227132	1	42	-1.0	-54.00	359.75	3.76	-50.24
CCC(=O)NC1=CC=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020227133	0	45	-1.0	-45.64	402.25	3.67	-41.97
CCC(=O)NC1=CC=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020227133	1	45	-1.0	-45.59	402.31	3.68	-41.91
CCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227134	0	42	-1.0	-43.21	360.72	3.79	-39.42
CCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227134	1	42	-1.0	-43.18	360.79	3.81	-39.37
CCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227135	0	48	-1.0	-46.26	381.98	4.94	-41.32
CCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227135	1	48	-1.0	-46.31	382.01	4.95	-41.36
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020227136	0	39	-1.0	-61.04	339.04	4.12	-56.92
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020227136	1	39	-1.0	-61.04	338.98	4.10	-56.94
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020227137	0	39	-1.0	-43.48	319.79	3.65	-39.83
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020227137	1	39	-1.0	-43.43	319.84	3.67	-39.76
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020227138	0	36	-1.0	-61.54	304.24	2.76	-58.78
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020227138	1	36	-1.0	-61.55	304.30	2.78	-58.77
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020227139	0	39	-1.0	-45.37	347.75	2.72	-42.65
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020227139	1	39	-1.0	-45.36	347.80	2.73	-42.63
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020227140	0	36	-1.0	-49.19	305.86	2.79	-46.40
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020227140	1	36	-1.0	-49.26	305.94	2.79	-46.47
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020227141	0	42	-1.0	-41.74	334.27	3.84	-37.90
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020227141	1	42	-1.0	-41.76	334.33	3.87	-37.89
CN(C)C(=O)CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020227142	0	48	-1.0	-60.39	401.78	5.68	-54.71
CN(C)C(=O)CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020227142	1	48	-1.0	-60.36	401.72	5.66	-54.70
CN(C)C(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227143	0	48	-1.0	-51.85	383.14	5.20	-46.65
CN(C)C(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227143	1	48	-1.0	-51.86	383.20	5.21	-46.65
CN(C)C(=O)CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227144	0	45	-1.0	-59.90	368.28	4.30	-55.60
CN(C)C(=O)CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227144	1	45	-1.0	-59.92	368.33	4.31	-55.61
CSCC[C@H](NC(=O)NC1=CC=C(CC(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL300020227145	0	48	-1.0	-57.00	411.16	4.24	-52.76
CSCC[C@H](NC(=O)NC1=CC=C(CC(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL300020227145	1	48	-1.0	-56.97	411.21	4.26	-52.71
CN(C)C(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227146	0	45	-1.0	-51.20	369.39	4.39	-46.81
CN(C)C(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227146	1	45	-1.0	-51.22	369.47	4.39	-46.83
CN(C)C(=O)CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227147	0	51	-1.0	-62.72	390.92	6.12	-56.60
CN(C)C(=O)CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227147	1	51	-1.0	-62.77	390.97	6.12	-56.65
CC(C)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020227148	0	49	-1.0	-59.31	401.19	5.56	-53.75
CC(C)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020227148	1	49	-1.0	-59.30	401.13	5.53	-53.77
CC(C)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020227149	0	49	-1.0	-42.12	381.53	5.08	-37.04
CC(C)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020227149	1	49	-1.0	-42.12	381.58	5.10	-37.02
CC(C)N(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020227150	0	46	-1.0	-56.13	365.95	4.16	-51.97
CC(C)N(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020227150	1	46	-1.0	-56.15	366.01	4.18	-51.97
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C(C)C)C(F)=C1)C1=N[N-]N=N1	REAL300020227151	0	49	-1.0	-51.83	409.64	4.12	-47.71
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C(C)C)C(F)=C1)C1=NN=N[N-]1	REAL300020227151	1	49	-1.0	-51.84	409.69	4.14	-47.70
CC(C)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020227152	0	46	-1.0	-47.16	367.35	4.25	-42.91
CC(C)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020227152	1	46	-1.0	-47.17	367.42	4.25	-42.92
CC(C)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020227153	0	52	-1.0	-41.57	396.89	5.25	-36.32
CC(C)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020227153	1	52	-1.0	-41.60	396.95	5.25	-36.35
CN(C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F)C1CCCCC1	REAL300020227154	0	53	-1.0	-60.12	407.76	6.03	-54.09
CN(C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F)C1CCCCC1	REAL300020227154	1	53	-1.0	-60.11	407.81	6.05	-54.06
CN(C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F)C1CCCCC1	REAL300020227155	0	53	-1.0	-41.87	409.16	6.09	-35.78
CN(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F)C1CCCCC1	REAL300020227155	1	53	-1.0	-41.90	409.23	6.09	-35.81
CCC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)=C1	REAL300020227156	0	51	-1.0	-47.83	413.83	6.03	-41.80
CCC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)=C1	REAL300020227156	1	51	-1.0	-47.86	413.77	6.02	-41.84
CCC1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)=C1	REAL300020227157	0	48	-1.0	-53.73	397.20	5.25	-48.48
CCC1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)=C1	REAL300020227157	1	48	-1.0	-53.73	397.14	5.23	-48.50
CCC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)=C1	REAL300020227158	0	48	-1.0	-45.13	399.22	5.33	-39.80
CCC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)=C1	REAL300020227158	1	48	-1.0	-45.10	399.14	5.33	-39.77
CNC(=O)C1=CC=C(OC)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227159	0	46	-1.0	-71.09	387.01	2.51	-68.58
CNC(=O)C1=CC=C(OC)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227159	1	46	-1.0	-71.14	386.95	2.49	-68.65
CNC(=O)C1=CC=C(OC)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227160	0	46	-1.0	-56.82	369.38	1.98	-54.84
CNC(=O)C1=CC=C(OC)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227160	1	46	-1.0	-56.86	369.44	2.00	-54.86
CNC(=O)C1=CC=C(OC)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227161	0	43	-1.0	-68.55	352.85	1.09	-67.46
CNC(=O)C1=CC=C(OC)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227161	1	43	-1.0	-68.55	352.91	1.11	-67.44
CNC(=O)C1=CC=C(OC)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020227162	0	46	-1.0	-64.78	396.38	1.07	-63.71
CNC(=O)C1=CC=C(OC)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020227162	1	46	-1.0	-64.77	396.44	1.08	-63.69
CNC(=O)C1=CC=C(OC)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227163	0	43	-1.0	-56.99	354.24	1.14	-55.85
CNC(=O)C1=CC=C(OC)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227163	1	43	-1.0	-56.98	354.31	1.16	-55.82
CNC(=O)C1=CC=C(OC)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227164	0	49	-1.0	-52.01	380.55	2.26	-49.75
CNC(=O)C1=CC=C(OC)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227164	1	49	-1.0	-52.01	380.60	2.25	-49.76
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)C=C1C	REAL300020227165	0	51	-1.0	-45.48	409.21	5.95	-39.53
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)C=C1C	REAL300020227165	1	51	-1.0	-45.49	409.15	5.93	-39.56
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)C=C1C	REAL300020227166	0	48	-1.0	-55.07	393.24	5.05	-50.02
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)C=C1C	REAL300020227166	1	48	-1.0	-55.08	393.18	5.03	-50.05
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1C	REAL300020227167	0	48	-1.0	-45.12	394.81	5.09	-40.03
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C=C1C	REAL300020227167	1	48	-1.0	-45.12	394.74	5.08	-40.04
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)C=C1	REAL300020227168	0	48	-1.0	-45.06	391.91	5.36	-39.70
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)C=C1	REAL300020227168	1	48	-1.0	-45.11	391.85	5.34	-39.77
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)C=C1	REAL300020227169	0	45	-1.0	-53.47	375.71	4.48	-48.99
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)C=C1	REAL300020227169	1	45	-1.0	-53.48	375.66	4.47	-49.01
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=C(C)C=C2)N=C1)C1=NN=N[N-]1	REAL300020227170	0	48	-1.0	-47.64	419.76	4.44	-43.20
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=C(C)C=C2)N=C1)C1=N[N-]N=N1	REAL300020227170	1	48	-1.0	-47.67	419.70	4.43	-43.24
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020227171	0	45	-1.0	-44.93	377.11	4.54	-40.39
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C=C1	REAL300020227171	1	45	-1.0	-44.91	377.03	4.52	-40.39
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)C=C1	REAL300020227172	0	51	-1.0	-50.22	400.51	6.19	-44.03
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)C=C1	REAL300020227172	1	51	-1.0	-50.24	400.46	6.17	-44.07
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1NC(C)=O	REAL300020227173	0	46	-1.0	-65.44	387.48	3.12	-62.32
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1NC(C)=O	REAL300020227173	1	46	-1.0	-65.42	387.42	3.09	-62.33
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1NC(C)=O	REAL300020227174	0	46	-1.0	-51.79	368.96	2.55	-49.24
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1NC(C)=O	REAL300020227174	1	46	-1.0	-51.76	369.02	2.57	-49.19
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1NC(C)=O	REAL300020227175	0	43	-1.0	-62.29	353.19	1.67	-60.62
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1NC(C)=O	REAL300020227175	1	43	-1.0	-62.32	353.25	1.69	-60.63
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1NC(C)=O	REAL300020227176	0	46	-1.0	-56.56	396.66	1.66	-54.90
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1NC(C)=O	REAL300020227176	1	46	-1.0	-56.53	396.72	1.68	-54.85
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1NC(C)=O	REAL300020227177	0	43	-1.0	-52.15	354.56	1.74	-50.41
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1NC(C)=O	REAL300020227177	1	43	-1.0	-52.13	354.63	1.74	-50.39
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1NC(C)=O	REAL300020227178	0	49	-1.0	-47.66	379.92	2.93	-44.73
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1NC(C)=O	REAL300020227178	1	49	-1.0	-47.66	379.95	2.93	-44.73
COC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020227179	0	43	-1.0	-55.53	370.52	2.97	-52.56
COC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020227179	1	43	-1.0	-55.55	370.47	2.95	-52.60
COC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227180	0	43	-1.0	-49.46	351.14	2.53	-46.93
COC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227180	1	43	-1.0	-49.49	351.20	2.54	-46.95
COC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227181	0	40	-1.0	-64.63	335.46	1.62	-63.01
COC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227181	1	40	-1.0	-64.62	335.52	1.63	-62.99
COC(=O)NC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020227182	0	43	-1.0	-55.97	379.31	1.57	-54.40
COC(=O)NC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020227182	1	43	-1.0	-55.93	379.36	1.59	-54.34
COC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227183	0	40	-1.0	-51.82	337.17	1.64	-50.18
COC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227183	1	40	-1.0	-51.84	337.24	1.65	-50.19
COC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227184	0	46	-1.0	-54.70	359.02	3.41	-51.29
COC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227184	1	46	-1.0	-54.71	359.06	3.41	-51.30
O=C(NC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227185	0	48	-1.0	-46.33	390.33	5.78	-40.55
O=C(NC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227185	1	48	-1.0	-46.37	390.27	5.76	-40.61
O=C(NC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227186	0	45	-1.0	-64.14	374.66	4.90	-59.24
O=C(NC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227186	1	45	-1.0	-64.13	374.60	4.89	-59.24
CSCC[C@H](NC(=O)NC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL300020227187	0	48	-1.0	-49.97	418.44	4.83	-45.14
CSCC[C@H](NC(=O)NC1=CC=CC(OCC2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL300020227187	1	48	-1.0	-49.95	418.38	4.82	-45.13
O=C(NC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227188	0	45	-1.0	-51.06	376.32	4.93	-46.13
O=C(NC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227188	1	45	-1.0	-51.01	376.25	4.92	-46.09
O=C(NC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227189	0	51	-1.0	-47.07	404.68	5.99	-41.08
O=C(NC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227189	1	51	-1.0	-47.10	404.63	5.98	-41.12
O=C(NC1=CC=C(OCC2CCCO2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227190	0	50	-1.0	-45.96	411.59	5.33	-40.63
O=C(NC1=CC=C(OCC2CCCO2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227190	1	50	-1.0	-46.00	411.65	5.36	-40.64
O=C(NC1=CC=C(OCC2CCCO2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227191	0	50	-1.0	-47.84	392.60	4.88	-42.96
O=C(NC1=CC=C(OCC2CCCO2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227191	1	50	-1.0	-47.87	392.66	4.89	-42.98
O=C(NC1=CC=C(OCC2CCCO2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227192	0	47	-1.0	-60.42	376.88	3.99	-56.43
O=C(NC1=CC=C(OCC2CCCO2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227192	1	47	-1.0	-60.45	376.94	4.01	-56.44
CSCC[C@H](NC(=O)NC1=CC=C(OCC2CCCO2)C=C1)C1=N[N-]N=N1	REAL300020227193	0	50	-1.0	-50.11	420.62	3.92	-46.19
CSCC[C@H](NC(=O)NC1=CC=C(OCC2CCCO2)C=C1)C1=NN=N[N-]1	REAL300020227193	1	50	-1.0	-50.10	420.68	3.94	-46.16
O=C(NC1=CC=C(OCC2CCCO2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227194	0	47	-1.0	-48.16	378.18	4.04	-44.12
O=C(NC1=CC=C(OCC2CCCO2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227194	1	47	-1.0	-48.14	378.26	4.05	-44.09
O=C(NC1=CC=C(OCC2CCCO2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227195	0	53	-1.0	-51.07	400.39	5.79	-45.28
O=C(NC1=CC=C(OCC2CCCO2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227195	1	53	-1.0	-51.10	400.43	5.80	-45.30
CCOC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1OC	REAL300020227196	0	46	-1.0	-43.72	383.79	4.90	-38.82
CCOC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1OC	REAL300020227196	1	46	-1.0	-43.74	383.73	4.88	-38.86
CCOC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC	REAL300020227197	0	46	-1.0	-45.38	364.77	4.38	-41.00
CCOC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC	REAL300020227197	1	46	-1.0	-45.40	364.83	4.39	-41.01
CCOC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC	REAL300020227198	0	43	-1.0	-55.27	349.06	3.51	-51.76
CCOC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC	REAL300020227198	1	43	-1.0	-55.26	349.12	3.53	-51.73
CCOC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OC	REAL300020227199	0	46	-1.0	-48.41	392.61	3.47	-44.94
CCOC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OC	REAL300020227199	1	46	-1.0	-48.37	392.67	3.49	-44.88
CCOC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC	REAL300020227200	0	43	-1.0	-45.28	350.77	3.54	-41.74
CCOC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC	REAL300020227200	1	43	-1.0	-45.29	350.84	3.55	-41.74
CCOC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC	REAL300020227201	0	49	-1.0	-43.43	377.15	4.56	-38.87
CCOC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC	REAL300020227201	1	49	-1.0	-43.43	377.19	4.58	-38.85
CCOC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227202	0	42	-1.0	-40.23	359.00	5.20	-35.03
CCOC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227202	1	42	-1.0	-40.24	358.95	5.18	-35.06
CCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227203	0	42	-1.0	-41.39	340.90	4.70	-36.69
CCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227203	1	42	-1.0	-41.43	340.95	4.71	-36.72
CCOC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227204	0	39	-1.0	-51.53	325.58	3.77	-47.76
CCOC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227204	1	39	-1.0	-51.51	325.64	3.80	-47.71
CCOC1=CC(F)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227205	0	42	-1.0	-44.86	368.29	3.75	-41.11
CCOC1=CC(F)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227205	1	42	-1.0	-44.87	368.35	3.77	-41.10
CCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227206	0	39	-1.0	-41.55	326.16	3.85	-37.70
CCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227206	1	39	-1.0	-41.56	326.23	3.87	-37.69
CCOC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227207	0	45	-1.0	-40.65	352.46	4.95	-35.70
CCOC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227207	1	45	-1.0	-40.64	352.50	4.95	-35.69
CC(C)C1=NC=CN1CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227208	0	54	-1.0	-47.54	425.01	8.27	-39.27
CC(C)C1=NC=CN1CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227208	1	54	-1.0	-47.50	425.07	8.28	-39.22
CC(C)C1=NC=CN1CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227209	0	51	-1.0	-55.95	409.76	7.32	-48.63
CC(C)C1=NC=CN1CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227209	1	51	-1.0	-55.93	409.82	7.33	-48.60
CC(C)C1=NC=CN1CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227210	0	51	-1.0	-50.42	411.03	7.37	-43.05
CC(C)C1=NC=CN1CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227210	1	51	-1.0	-50.41	411.11	7.38	-43.03
CCOCCCNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227211	0	52	-1.0	-73.13	423.48	3.31	-69.82
CCOCCCNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227211	1	52	-1.0	-73.13	423.54	3.32	-69.81
CCOCCCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227212	0	52	-1.0	-56.54	424.84	3.36	-53.18
CCOCCCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227212	1	52	-1.0	-56.54	424.92	3.37	-53.17
CC1CN(CC2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)O1	REAL300020227213	0	57	-1.0	-44.77	423.71	5.12	-39.65
CC1CN(CC2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)O1	REAL300020227213	1	57	-1.0	-44.76	423.77	5.13	-39.63
CC1CN(CC2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)CC(C)O1	REAL300020227214	0	54	-1.0	-56.20	417.30	4.16	-52.04
CC1CN(CC2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)CC(C)O1	REAL300020227214	1	54	-1.0	-56.21	417.36	4.18	-52.03
CC1CN(CC2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)CC(C)O1	REAL300020227215	0	54	-1.0	-42.93	418.72	4.18	-38.75
CC1CN(CC2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)CC(C)O1	REAL300020227215	1	54	-1.0	-42.94	418.79	4.18	-38.76
CC1=CC=C(Br)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227216	0	38	-1.0	-42.78	342.49	6.32	-36.46
CC1=CC=C(Br)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227216	1	38	-1.0	-42.76	342.43	6.29	-36.47
CC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227217	0	38	-1.0	-43.91	321.67	5.72	-38.19
CC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227217	1	38	-1.0	-43.95	321.73	5.74	-38.21
CC1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227218	0	35	-1.0	-54.26	307.60	4.85	-49.41
CC1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227218	1	35	-1.0	-54.25	307.66	4.88	-49.37
CSCC[C@H](NC(=O)NC1=CC(Br)=CC=C1C)C1=N[N-]N=N1	REAL300020227219	0	38	-1.0	-46.95	352.09	4.87	-42.08
CSCC[C@H](NC(=O)NC1=CC(Br)=CC=C1C)C1=NN=N[N-]1	REAL300020227219	1	38	-1.0	-46.95	352.15	4.89	-42.06
CC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227220	0	35	-1.0	-45.23	308.93	4.91	-40.32
CC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227220	1	35	-1.0	-45.22	309.01	4.92	-40.30
CC1=CC=C(Br)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227221	0	41	-1.0	-49.84	330.52	6.63	-43.21
CC1=CC=C(Br)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227221	1	41	-1.0	-49.83	330.57	6.63	-43.20
O=C(NC1=CC=C(N2N=CC=N2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227222	0	40	-1.0	-49.72	352.50	3.84	-45.88
O=C(NC1=CC=C(N2N=CC=N2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227222	1	40	-1.0	-49.72	352.44	3.82	-45.90
O=C(NC1=CC=C(N2N=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227223	0	40	-1.0	-52.48	333.73	3.24	-49.24
O=C(NC1=CC=C(N2N=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227223	1	40	-1.0	-52.48	333.68	3.23	-49.25
O=C(NC1=CC=C(N2N=CC=N2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227224	0	37	-1.0	-57.66	318.20	2.43	-55.23
O=C(NC1=CC=C(N2N=CC=N2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227224	1	37	-1.0	-57.63	318.14	2.41	-55.22
CSCC[C@H](NC(=O)NC1=CC=C(N2N=CC=N2)N=C1)C1=NN=N[N-]1	REAL300020227225	0	40	-1.0	-50.95	361.96	2.35	-48.60
CSCC[C@H](NC(=O)NC1=CC=C(N2N=CC=N2)N=C1)C1=N[N-]N=N1	REAL300020227225	1	40	-1.0	-50.93	361.90	2.34	-48.59
O=C(NC1=CC=C(N2N=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227226	0	37	-1.0	-48.86	319.58	2.47	-46.39
O=C(NC1=CC=C(N2N=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227226	1	37	-1.0	-48.84	319.51	2.46	-46.38
O=C(NC1=CC=C(N2N=CC=N2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227227	0	43	-1.0	-45.14	348.18	3.44	-41.70
O=C(NC1=CC=C(N2N=CC=N2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227227	1	43	-1.0	-45.09	348.13	3.43	-41.66
CC(C)OC1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227228	0	44	-1.0	-43.49	371.30	3.52	-39.97
CC(C)OC1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227228	1	44	-1.0	-43.48	371.24	3.49	-39.99
CC(C)OC1=NC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227229	0	44	-1.0	-42.66	352.27	3.01	-39.65
CC(C)OC1=NC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227229	1	44	-1.0	-42.63	352.21	2.99	-39.64
CC(C)OC1=NC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227230	0	41	-1.0	-52.06	336.18	2.11	-49.95
CC(C)OC1=NC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227230	1	41	-1.0	-52.03	336.12	2.10	-49.93
CSCC[C@H](NC(=O)NC1=CC=CN=C1OC(C)C)C1=NN=N[N-]1	REAL300020227231	0	44	-1.0	-46.00	379.72	2.06	-43.94
CSCC[C@H](NC(=O)NC1=CC=CN=C1OC(C)C)C1=N[N-]N=N1	REAL300020227231	1	44	-1.0	-45.94	379.66	2.04	-43.90
CC(C)OC1=NC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227232	0	41	-1.0	-42.69	338.36	2.16	-40.53
CC(C)OC1=NC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227232	1	41	-1.0	-42.69	338.28	2.15	-40.54
CC(C)OC1=NC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227233	0	47	-1.0	-47.18	358.33	3.90	-43.28
CC(C)OC1=NC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227233	1	47	-1.0	-47.20	358.28	3.88	-43.32
CC1=NN(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)C(C)=C1	REAL300020227234	0	48	-1.0	-52.77	402.49	6.95	-45.82
CC1=NN(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)C(C)=C1	REAL300020227234	1	48	-1.0	-52.78	402.44	6.93	-45.85
CC1=NN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C(C)=C1	REAL300020227235	0	48	-1.0	-53.03	383.06	6.51	-46.52
CC1=NN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C(C)=C1	REAL300020227235	1	48	-1.0	-53.08	383.12	6.52	-46.56
CC1=NN(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C(C)=C1	REAL300020227236	0	45	-1.0	-64.45	368.92	5.61	-58.84
CC1=NN(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C(C)=C1	REAL300020227236	1	45	-1.0	-64.44	368.98	5.63	-58.81
CSCC[C@H](NC(=O)NC1=CC=CC(N2N=C(C)C=C2C)=C1)C1=N[N-]N=N1	REAL300020227237	0	48	-1.0	-56.37	411.45	5.52	-50.85
CSCC[C@H](NC(=O)NC1=CC=CC(N2N=C(C)C=C2C)=C1)C1=NN=N[N-]1	REAL300020227237	1	48	-1.0	-56.37	411.51	5.54	-50.83
CC1=NN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C(C)=C1	REAL300020227238	0	45	-1.0	-45.42	370.45	5.67	-39.75
CC1=NN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C(C)=C1	REAL300020227238	1	45	-1.0	-45.45	370.53	5.68	-39.77
CC1=CC(C)=NN1C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227239	0	51	-1.0	-51.98	399.61	6.68	-45.30
CC1=CC(C)=NN1C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227239	1	51	-1.0	-51.96	399.68	6.69	-45.27
CC1=NC(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020227240	0	43	-1.0	-45.32	369.63	4.69	-40.63
CC1=NC(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NO1	REAL300020227240	1	43	-1.0	-45.26	369.57	4.66	-40.60
CC1=NC(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020227241	0	43	-1.0	-46.89	349.79	4.23	-42.66
CC1=NC(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020227241	1	43	-1.0	-46.88	349.73	4.21	-42.67
CC1=NC(C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL300020227242	0	40	-1.0	-57.36	335.11	3.31	-54.05
CC1=NC(C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL300020227242	1	40	-1.0	-57.38	335.06	3.29	-54.09
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=NOC(C)=N1)C1=NN=N[N-]1	REAL300020227243	0	43	-1.0	-50.95	379.63	3.31	-47.64
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=NOC(C)=N1)C1=N[N-]N=N1	REAL300020227243	1	43	-1.0	-50.95	379.57	3.30	-47.65
CC1=NC(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020227244	0	40	-1.0	-46.00	336.50	3.36	-42.64
CC1=NC(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020227244	1	40	-1.0	-46.01	336.42	3.35	-42.66
CC1=NC(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020227245	0	46	-1.0	-53.35	361.07	5.29	-48.06
CC1=NC(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020227245	1	46	-1.0	-53.37	361.04	5.26	-48.11
CN(C)C(=O)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227246	0	49	-1.0	-57.12	410.68	5.57	-51.55
CN(C)C(=O)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227246	1	49	-1.0	-57.11	410.73	5.60	-51.51
CN(C)C(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227247	0	49	-1.0	-61.12	391.60	5.13	-55.99
CN(C)C(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227247	1	49	-1.0	-61.15	391.66	5.14	-56.01
CN(C)C(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227248	0	46	-1.0	-76.96	375.87	4.22	-72.74
CN(C)C(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227248	1	46	-1.0	-77.00	375.93	4.24	-72.76
CSCC[C@H](NC(=O)NC1=CC=CC(OCC(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020227249	0	49	-1.0	-55.93	420.22	4.20	-51.73
CSCC[C@H](NC(=O)NC1=CC=CC(OCC(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020227249	1	49	-1.0	-55.94	420.28	4.21	-51.73
CN(C)C(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227250	0	46	-1.0	-61.26	377.93	4.26	-57.00
CN(C)C(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227250	1	46	-1.0	-61.25	378.01	4.27	-56.98
CN(C)C(=O)COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227251	0	52	-1.0	-57.28	399.53	6.00	-51.28
CN(C)C(=O)COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227251	1	52	-1.0	-57.29	399.58	6.02	-51.27
CCNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020227252	0	45	-1.0	-51.03	380.67	3.96	-47.07
CCNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020227252	1	45	-1.0	-51.06	380.62	3.93	-47.13
CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227253	0	45	-1.0	-45.94	360.51	3.43	-42.51
CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227253	1	45	-1.0	-45.98	360.57	3.45	-42.53
CCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227254	0	42	-1.0	-53.97	346.29	2.51	-51.46
CCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227254	1	42	-1.0	-53.97	346.35	2.52	-51.45
CCNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020227255	0	45	-1.0	-56.46	390.15	2.45	-54.01
CCNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020227255	1	45	-1.0	-56.47	390.21	2.46	-54.01
CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227256	0	42	-1.0	-45.78	347.97	2.54	-43.24
CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227256	1	42	-1.0	-45.84	348.04	2.56	-43.28
CCNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227257	0	48	-1.0	-50.35	369.90	4.34	-46.01
CCNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227257	1	48	-1.0	-50.35	369.95	4.33	-46.02
CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227258	0	50	-1.0	-41.96	414.17	9.08	-32.88
CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227258	1	50	-1.0	-41.98	414.11	9.06	-32.92
CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227259	0	50	-1.0	-42.63	396.25	8.51	-34.12
CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227259	1	50	-1.0	-42.65	396.31	8.53	-34.12
CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227260	0	47	-1.0	-55.02	380.66	7.59	-47.43
CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227260	1	47	-1.0	-55.02	380.71	7.62	-47.40
CSCC[C@H](NC(=O)NC1=CC=CC=C1N(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020227261	0	50	-1.0	-47.22	423.41	7.60	-39.62
CSCC[C@H](NC(=O)NC1=CC=CC=C1N(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020227261	1	50	-1.0	-47.22	423.47	7.61	-39.61
CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227262	0	47	-1.0	-42.27	381.35	7.70	-34.57
CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227262	1	47	-1.0	-42.24	381.43	7.70	-34.54
CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227263	0	53	-1.0	-48.31	403.80	9.55	-38.76
CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227263	1	53	-1.0	-48.29	403.85	9.56	-38.73
O=C(NC1=CN(CC2=CC=CC=C2)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227264	0	48	-1.0	-49.97	387.28	6.82	-43.15
O=C(NC1=CN(CC2=CC=CC=C2)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227264	1	48	-1.0	-49.97	387.33	6.83	-43.14
O=C(NC1=CN(CC2=CC=CC=C2)C(=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227265	0	45	-1.0	-61.39	377.07	6.13	-55.26
O=C(NC1=CN(CC2=CC=CC=C2)C(=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227265	1	45	-1.0	-61.41	377.13	6.15	-55.26
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=CC=C2)C(=O)C=C1)C1=N[N-]N=N1	REAL300020227266	0	48	-1.0	-54.37	420.62	6.09	-48.28
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=CC=C2)C(=O)C=C1)C1=NN=N[N-]1	REAL300020227266	1	48	-1.0	-54.32	420.68	6.11	-48.21
O=C(NC1=CN(CC2=CC=CC=C2)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227267	0	45	-1.0	-50.77	378.39	6.17	-44.60
O=C(NC1=CN(CC2=CC=CC=C2)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227267	1	45	-1.0	-50.75	378.46	6.18	-44.57
O=C(NC1=CN(CC2=CC=CC=C2)C(=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227268	0	51	-1.0	-39.62	402.25	7.18	-32.44
O=C(NC1=CN(CC2=CC=CC=C2)C(=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227268	1	51	-1.0	-39.64	402.26	7.19	-32.45
O=C(NC1=CC=CC(COCC2=CC=CO2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227269	0	49	-1.0	-48.43	400.54	6.17	-42.26
O=C(NC1=CC=CC(COCC2=CC=CO2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227269	1	49	-1.0	-48.43	400.59	6.19	-42.24
O=C(NC1=CC=CC(COCC2=CC=CO2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227270	0	46	-1.0	-58.68	386.05	5.23	-53.45
O=C(NC1=CC=CC(COCC2=CC=CO2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227270	1	46	-1.0	-58.69	386.11	5.25	-53.44
O=C(NC1=CC=CC(COCC2=CC=CO2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227271	0	46	-1.0	-47.19	387.44	5.29	-41.90
O=C(NC1=CC=CC(COCC2=CC=CO2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227271	1	46	-1.0	-47.16	387.51	5.30	-41.86
O=C(NC1=CC=CC(COCC2=CC=CO2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227272	0	52	-1.0	-48.94	416.13	6.31	-42.63
O=C(NC1=CC=CC(COCC2=CC=CO2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227272	1	52	-1.0	-48.91	416.17	6.33	-42.58
CCCN(CCC)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227273	0	57	-1.0	-47.16	440.54	7.56	-39.60
CCCN(CCC)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227273	1	57	-1.0	-47.20	440.60	7.57	-39.63
CCCN(CCC)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227274	0	54	-1.0	-59.84	422.47	6.57	-53.27
CCCN(CCC)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227274	1	54	-1.0	-59.84	422.52	6.58	-53.26
CCCN(CCC)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227275	0	54	-1.0	-49.48	423.90	6.63	-42.85
CCCN(CCC)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227275	1	54	-1.0	-49.50	423.98	6.65	-42.85
CCOCCOCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227276	0	52	-1.0	-56.02	435.51	5.69	-50.33
CCOCCOCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227276	1	52	-1.0	-56.00	435.57	5.72	-50.28
CCOCCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227277	0	52	-1.0	-47.23	416.58	5.22	-42.01
CCOCCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227277	1	52	-1.0	-47.20	416.63	5.23	-41.97
CCOCCOCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227278	0	49	-1.0	-55.12	401.21	4.29	-50.83
CCOCCOCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227278	1	49	-1.0	-55.16	401.27	4.31	-50.85
CCOCCOCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020227279	0	52	-1.0	-48.47	444.43	4.29	-44.18
CCOCCOCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020227279	1	52	-1.0	-48.50	444.49	4.30	-44.20
CCOCCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227280	0	49	-1.0	-45.93	402.25	4.36	-41.57
CCOCCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227280	1	49	-1.0	-45.90	402.32	4.38	-41.52
CCOCCOCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227281	0	55	-1.0	-51.14	424.56	6.10	-45.04
CCOCCOCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227281	1	55	-1.0	-51.17	424.61	6.11	-45.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1OC1CCCC1	REAL300020227282	0	49	-1.0	-41.99	395.34	7.11	-34.88
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1OC1CCCC1	REAL300020227282	1	49	-1.0	-41.97	395.28	7.08	-34.89
O=C(NC1=CC=CC=C1OC1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227283	0	49	-1.0	-43.49	376.98	6.61	-36.88
O=C(NC1=CC=CC=C1OC1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227283	1	49	-1.0	-43.53	377.03	6.62	-36.91
O=C(NC1=CC=CC=C1OC1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020227284	0	46	-1.0	-54.15	361.97	5.72	-48.43
O=C(NC1=CC=CC=C1OC1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020227284	1	46	-1.0	-54.11	362.03	5.74	-48.37
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1CCCC1)C1=N[N-]N=N1	REAL300020227285	0	49	-1.0	-46.93	404.75	5.68	-41.25
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1CCCC1)C1=NN=N[N-]1	REAL300020227285	1	49	-1.0	-46.91	404.81	5.69	-41.22
O=C(NC1=CC=CC=C1OC1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227286	0	46	-1.0	-43.24	363.62	5.84	-37.40
O=C(NC1=CC=CC=C1OC1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227286	1	46	-1.0	-43.24	363.69	5.85	-37.39
O=C(NC1=CC=CC=C1OC1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227287	0	52	-1.0	-44.63	388.40	6.72	-37.91
O=C(NC1=CC=CC=C1OC1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227287	1	52	-1.0	-44.67	388.43	6.72	-37.95
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020227288	0	42	-1.0	-58.66	370.69	5.53	-53.13
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020227288	1	42	-1.0	-58.67	370.64	5.51	-53.16
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020227289	0	42	-1.0	-46.84	351.44	5.06	-41.78
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020227289	1	42	-1.0	-46.84	351.49	5.07	-41.77
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020227290	0	39	-1.0	-59.09	335.86	4.17	-54.92
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020227290	1	39	-1.0	-59.09	335.92	4.18	-54.91
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020227291	0	42	-1.0	-44.99	379.40	4.13	-40.86
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020227291	1	42	-1.0	-44.99	379.46	4.14	-40.85
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020227292	0	39	-1.0	-47.18	337.27	4.23	-42.95
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020227292	1	39	-1.0	-47.19	337.34	4.23	-42.96
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020227293	0	45	-1.0	-40.75	365.93	5.24	-35.51
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020227293	1	45	-1.0	-40.78	365.98	5.26	-35.52
COCCOCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227294	0	49	-1.0	-55.96	413.65	4.73	-51.23
COCCOCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227294	1	49	-1.0	-55.98	413.71	4.75	-51.23
COCCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227295	0	49	-1.0	-50.80	394.74	4.25	-46.55
COCCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227295	1	49	-1.0	-50.80	394.80	4.27	-46.53
COCCOCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227296	0	46	-1.0	-55.11	379.35	3.33	-51.78
COCCOCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227296	1	46	-1.0	-55.13	379.41	3.34	-51.79
COCCOCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020227297	0	49	-1.0	-48.47	422.58	3.32	-45.15
COCCOCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020227297	1	49	-1.0	-48.44	422.64	3.34	-45.10
COCCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227298	0	46	-1.0	-46.00	380.40	3.40	-42.60
COCCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227298	1	46	-1.0	-46.00	380.47	3.41	-42.59
COCCOCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227299	0	52	-1.0	-51.11	402.71	5.13	-45.98
COCCOCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227299	1	52	-1.0	-51.08	402.76	5.15	-45.93
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227300	0	51	-1.0	-71.01	415.03	5.16	-65.85
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227300	1	51	-1.0	-71.06	415.08	5.19	-65.87
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227301	0	51	-1.0	-53.90	395.66	4.75	-49.15
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227301	1	51	-1.0	-53.96	395.72	4.76	-49.20
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227302	0	48	-1.0	-73.91	380.27	3.83	-70.08
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227302	1	48	-1.0	-73.92	380.33	3.84	-70.08
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)NC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020227303	0	51	-1.0	-58.22	423.79	3.80	-54.42
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)NC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020227303	1	51	-1.0	-58.25	423.85	3.81	-54.44
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227304	0	48	-1.0	-56.37	381.63	3.88	-52.49
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227304	1	48	-1.0	-56.35	381.70	3.89	-52.46
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227305	0	54	-1.0	-52.16	403.92	5.61	-46.55
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227305	1	54	-1.0	-52.18	403.98	5.62	-46.56
O=C(NC1=CC=C(CN2C(=O)CNC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227306	0	47	-1.0	-49.83	386.71	2.93	-46.90
O=C(NC1=CC=C(CN2C(=O)CNC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227306	1	47	-1.0	-49.85	386.76	2.94	-46.91
O=C(NC1=CC=C(CN2C(=O)CNC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227307	0	44	-1.0	-61.34	371.55	1.98	-59.36
O=C(NC1=CC=C(CN2C(=O)CNC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227307	1	44	-1.0	-61.30	371.61	2.00	-59.30
O=C(NC1=CC=C(CN2C(=O)CNC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227308	0	44	-1.0	-51.95	372.94	2.04	-49.91
O=C(NC1=CC=C(CN2C(=O)CNC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227308	1	44	-1.0	-51.94	373.01	2.05	-49.89
O=C(NC1=CC=C(CN2C(=O)CNC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227309	0	50	-1.0	-48.98	399.34	3.07	-45.91
O=C(NC1=CC=C(CN2C(=O)CNC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227309	1	50	-1.0	-49.02	399.42	3.09	-45.93
O=C(NC1=CC=CC(CN2C(=O)CNC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227310	0	47	-1.0	-49.33	386.98	2.88	-46.45
O=C(NC1=CC=CC(CN2C(=O)CNC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227310	1	47	-1.0	-49.30	387.03	2.89	-46.41
O=C(NC1=CC(CN2C(=O)CNC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227311	0	44	-1.0	-59.44	371.56	1.98	-57.46
O=C(NC1=CC(CN2C(=O)CNC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227311	1	44	-1.0	-59.46	371.62	2.00	-57.46
O=C(NC1=CC=CC(CN2C(=O)CNC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227312	0	44	-1.0	-49.59	372.67	2.07	-47.52
O=C(NC1=CC=CC(CN2C(=O)CNC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227312	1	44	-1.0	-49.59	372.74	2.07	-47.52
O=C(NC1=CC(CN2C(=O)CNC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227313	0	50	-1.0	-51.66	399.34	3.07	-48.59
O=C(NC1=CC(CN2C(=O)CNC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227313	1	50	-1.0	-51.68	399.35	3.08	-48.60
O=C(NC1=CC=CC=C1CN1C(=O)CNC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227314	0	47	-1.0	-44.60	370.03	3.44	-41.16
O=C(NC1=CC=CC=C1CN1C(=O)CNC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227314	1	47	-1.0	-44.60	370.09	3.45	-41.15
O=C(NC1=CC=CC=C1CN1C(=O)CNC1=O)N1CCCC1C1=N[N-]N=N1	REAL300020227315	0	44	-1.0	-58.55	356.81	2.60	-55.95
O=C(NC1=CC=CC=C1CN1C(=O)CNC1=O)N1CCCC1C1=NN=N[N-]1	REAL300020227315	1	44	-1.0	-58.51	356.86	2.62	-55.89
O=C(NC1=CC=CC=C1CN1C(=O)CNC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227316	0	44	-1.0	-47.19	358.78	2.62	-44.57
O=C(NC1=CC=CC=C1CN1C(=O)CNC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227316	1	44	-1.0	-47.17	358.86	2.63	-44.54
O=C(NC1=CC=CC=C1CN1C(=O)CNC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227317	0	50	-1.0	-54.58	376.30	4.53	-50.05
O=C(NC1=CC=CC=C1CN1C(=O)CNC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227317	1	50	-1.0	-54.57	376.33	4.55	-50.02
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2C(=O)CNC2=O)=C1	REAL300020227318	0	44	-1.0	-59.09	373.56	2.79	-56.30
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2C(=O)CNC2=O)=C1	REAL300020227318	1	44	-1.0	-59.07	373.51	2.76	-56.31
O=C(NC1=CC=CC(N2C(=O)CNC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227319	0	44	-1.0	-50.20	354.56	2.27	-47.93
O=C(NC1=CC=CC(N2C(=O)CNC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227319	1	44	-1.0	-50.15	354.62	2.29	-47.86
O=C(NC1=CC(N2C(=O)CNC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227320	0	41	-1.0	-59.88	339.18	1.36	-58.52
O=C(NC1=CC(N2C(=O)CNC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227320	1	41	-1.0	-59.88	339.24	1.38	-58.50
CSCC[C@H](NC(=O)NC1=CC=CC(N2C(=O)CNC2=O)=C1)C1=N[N-]N=N1	REAL300020227321	0	44	-1.0	-53.91	382.89	1.32	-52.59
CSCC[C@H](NC(=O)NC1=CC=CC(N2C(=O)CNC2=O)=C1)C1=NN=N[N-]1	REAL300020227321	1	44	-1.0	-53.93	382.94	1.33	-52.60
O=C(NC1=CC=CC(N2C(=O)CNC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227322	0	41	-1.0	-50.17	340.26	1.43	-48.74
O=C(NC1=CC=CC(N2C(=O)CNC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227322	1	41	-1.0	-50.13	340.34	1.45	-48.68
O=C(NC1=CC(N2C(=O)CNC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227323	0	47	-1.0	-51.62	368.78	2.46	-49.16
O=C(NC1=CC(N2C(=O)CNC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227323	1	47	-1.0	-51.64	368.83	2.47	-49.17
CN1CC(=O)N(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C1=O	REAL300020227324	0	47	-1.0	-50.16	377.04	4.68	-45.48
CN1CC(=O)N(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C1=O	REAL300020227324	1	47	-1.0	-50.20	377.09	4.70	-45.50
CN1CC(=O)N(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C1=O	REAL300020227325	0	44	-1.0	-60.07	361.60	3.77	-56.30
CN1CC(=O)N(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C1=O	REAL300020227325	1	44	-1.0	-60.10	361.66	3.79	-56.31
CN1CC(=O)N(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C1=O	REAL300020227326	0	44	-1.0	-50.14	362.68	3.84	-46.30
CN1CC(=O)N(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C1=O	REAL300020227326	1	44	-1.0	-50.16	362.75	3.85	-46.31
CN1CC(=O)N(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C1=O	REAL300020227327	0	50	-1.0	-53.06	391.20	4.74	-48.32
CN1CC(=O)N(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C1=O	REAL300020227327	1	50	-1.0	-53.02	391.26	4.77	-48.25
O=C(NC1CCCC1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227328	0	52	-1.0	-45.98	405.78	5.60	-40.38
O=C(NC1CCCC1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227328	1	52	-1.0	-45.99	405.83	5.62	-40.37
O=C(NC1CCCC1)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227329	0	49	-1.0	-53.66	390.64	4.66	-49.00
O=C(NC1CCCC1)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227329	1	49	-1.0	-53.67	390.70	4.67	-49.00
O=C(NC1CCCC1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227330	0	49	-1.0	-51.15	391.72	4.73	-46.42
O=C(NC1CCCC1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227330	1	49	-1.0	-51.18	391.79	4.75	-46.43
O=C(NC1CCCC1)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227331	0	55	-1.0	-50.14	413.93	6.50	-43.64
O=C(NC1CCCC1)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227331	1	55	-1.0	-50.19	413.98	6.50	-43.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(OC(F)F)C(F)=C1	REAL300020227332	0	39	-1.0	-58.66	348.74	4.37	-54.29
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(OC(F)F)C(F)=C1	REAL300020227332	1	39	-1.0	-58.67	348.79	4.39	-54.28
O=C(NC1=CC=C(OC(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227333	0	39	-1.0	-47.15	329.54	3.92	-43.23
O=C(NC1=CC=C(OC(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227333	1	39	-1.0	-47.18	329.60	3.93	-43.25
O=C(NC1=CC=C(OC(F)F)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227334	0	36	-1.0	-58.70	313.96	3.03	-55.67
O=C(NC1=CC=C(OC(F)F)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227334	1	36	-1.0	-58.66	314.02	3.03	-55.63
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C(F)=C1)C1=N[N-]N=N1	REAL300020227335	0	39	-1.0	-48.15	357.50	2.99	-45.16
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C(F)=C1)C1=NN=N[N-]1	REAL300020227335	1	39	-1.0	-48.14	357.56	3.01	-45.13
O=C(NC1=CC=C(OC(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227336	0	36	-1.0	-47.42	315.37	3.09	-44.33
O=C(NC1=CC=C(OC(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227336	1	36	-1.0	-47.40	315.44	3.09	-44.31
O=C(NC1=CC=C(OC(F)F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227337	0	42	-1.0	-41.69	344.03	4.11	-37.58
O=C(NC1=CC=C(OC(F)F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227337	1	42	-1.0	-41.70	344.08	4.14	-37.56
CCCOC1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227338	0	45	-1.0	-42.21	391.29	6.44	-35.77
CCCOC1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227338	1	45	-1.0	-42.19	391.23	6.42	-35.77
CCCOC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227339	0	45	-1.0	-43.84	373.11	5.93	-37.91
CCCOC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227339	1	45	-1.0	-43.82	373.17	5.94	-37.88
CCCOC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227340	0	42	-1.0	-53.63	356.57	5.05	-48.58
CCCOC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227340	1	42	-1.0	-53.62	356.63	5.06	-48.56
CCCOC1=CC=C(Cl)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227341	0	45	-1.0	-48.04	400.10	5.00	-43.04
CCCOC1=CC=C(Cl)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227341	1	45	-1.0	-48.04	400.16	5.01	-43.03
CCCOC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227342	0	42	-1.0	-43.85	358.75	5.08	-38.77
CCCOC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227342	1	42	-1.0	-43.81	358.82	5.10	-38.71
CCCOC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227343	0	48	-1.0	-49.59	380.57	6.82	-42.77
CCCOC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227343	1	48	-1.0	-49.59	380.63	6.83	-42.76
O=C(NC1CC1)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020227344	0	46	-1.0	-46.32	384.82	4.76	-41.56
O=C(NC1CC1)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020227344	1	46	-1.0	-46.36	384.88	4.78	-41.58
O=C(NC1CC1)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020227345	0	43	-1.0	-53.71	369.39	3.86	-49.85
O=C(NC1CC1)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020227345	1	43	-1.0	-53.70	369.45	3.87	-49.83
O=C(NC1CC1)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020227346	0	43	-1.0	-45.93	370.73	3.93	-42.00
O=C(NC1CC1)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020227346	1	43	-1.0	-45.97	370.80	3.94	-42.03
CC(C)CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020227347	0	51	-1.0	-50.51	420.99	5.44	-45.07
CC(C)CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020227347	1	51	-1.0	-50.49	421.04	5.46	-45.03
CC(C)CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227348	0	51	-1.0	-45.44	400.89	4.94	-40.50
CC(C)CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227348	1	51	-1.0	-45.44	400.95	4.95	-40.49
CC(C)CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227349	0	48	-1.0	-53.62	386.67	4.02	-49.60
CC(C)CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227349	1	48	-1.0	-53.66	386.73	4.04	-49.62
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)NCC(C)C)C=C1)C1=N[N-]N=N1	REAL300020227350	0	51	-1.0	-55.93	430.53	3.96	-51.97
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)NCC(C)C)C=C1)C1=NN=N[N-]1	REAL300020227350	1	51	-1.0	-55.95	430.59	3.97	-51.98
CC(C)CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227351	0	48	-1.0	-45.35	388.34	4.05	-41.30
CC(C)CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227351	1	48	-1.0	-45.34	388.42	4.07	-41.27
CC(C)CNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227352	0	54	-1.0	-49.84	410.28	5.85	-43.99
CC(C)CNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227352	1	54	-1.0	-49.85	410.33	5.84	-44.01
O=C(NC1=CC=C(OCC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227353	0	48	-1.0	-46.80	393.05	4.94	-41.86
O=C(NC1=CC=C(OCC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227353	1	48	-1.0	-46.86	392.99	4.92	-41.94
O=C(NC1=CC=C(OCC2=CC=CC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227354	0	45	-1.0	-53.07	377.67	4.09	-48.98
O=C(NC1=CC=C(OCC2=CC=CC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227354	1	45	-1.0	-53.03	377.61	4.07	-48.96
CSCC[C@H](NC(=O)NC1=CC=C(OCC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020227355	0	48	-1.0	-47.41	420.98	4.07	-43.34
CSCC[C@H](NC(=O)NC1=CC=C(OCC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020227355	1	48	-1.0	-47.43	420.92	4.06	-43.37
O=C(NC1=CC=C(OCC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227356	0	45	-1.0	-44.71	379.06	4.14	-40.57
O=C(NC1=CC=C(OCC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227356	1	45	-1.0	-44.67	378.98	4.14	-40.53
O=C(NC1=CC=C(OCC2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227357	0	51	-1.0	-41.40	407.43	5.14	-36.26
O=C(NC1=CC=C(OCC2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227357	1	51	-1.0	-41.40	407.40	5.12	-36.28
CC(C)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227358	0	48	-1.0	-45.09	396.28	6.48	-38.61
CC(C)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227358	1	48	-1.0	-45.15	396.22	6.45	-38.70
CC(C)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227359	0	48	-1.0	-43.48	375.86	6.06	-37.42
CC(C)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227359	1	48	-1.0	-43.50	375.92	6.08	-37.42
CC(C)COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227360	0	45	-1.0	-61.66	361.45	5.11	-56.55
CC(C)COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227360	1	45	-1.0	-61.68	361.51	5.13	-56.55
CSCC[C@H](NC(=O)NC1=CC=CC(OCC(C)C)=C1)C1=N[N-]N=N1	REAL300020227361	0	48	-1.0	-54.14	405.24	5.05	-49.09
CSCC[C@H](NC(=O)NC1=CC=CC(OCC(C)C)=C1)C1=NN=N[N-]1	REAL300020227361	1	48	-1.0	-54.19	405.30	5.06	-49.13
CC(C)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227362	0	45	-1.0	-48.17	363.10	5.14	-43.03
CC(C)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227362	1	45	-1.0	-48.19	363.18	5.15	-43.04
CC(C)COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227363	0	51	-1.0	-43.85	391.48	6.19	-37.66
CC(C)COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227363	1	51	-1.0	-43.81	391.53	6.22	-37.59
COCCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227364	0	46	-1.0	-47.84	388.30	4.25	-43.59
COCCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227364	1	46	-1.0	-47.86	388.24	4.23	-43.63
COCCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227365	0	46	-1.0	-45.75	367.89	3.83	-41.92
COCCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227365	1	46	-1.0	-45.76	367.94	3.85	-41.91
COCCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227366	0	43	-1.0	-64.73	353.48	2.89	-61.84
COCCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227366	1	43	-1.0	-64.74	353.54	2.90	-61.84
COCCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020227367	0	46	-1.0	-57.29	397.26	2.82	-54.47
COCCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020227367	1	46	-1.0	-57.26	397.32	2.84	-54.42
COCCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227368	0	43	-1.0	-51.54	355.13	2.91	-48.63
COCCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227368	1	43	-1.0	-51.53	355.20	2.93	-48.60
COCCOC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227369	0	49	-1.0	-47.29	383.51	3.97	-43.32
COCCOC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227369	1	49	-1.0	-47.28	383.56	3.99	-43.29
COC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227370	0	43	-1.0	-46.29	370.53	2.97	-43.32
COC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227370	1	43	-1.0	-46.24	370.47	2.95	-43.29
COC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227371	0	43	-1.0	-46.56	351.23	2.50	-44.06
COC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227371	1	43	-1.0	-46.58	351.29	2.51	-44.07
COC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227372	0	40	-1.0	-56.23	335.94	1.58	-54.65
COC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227372	1	40	-1.0	-56.24	336.00	1.60	-54.64
COC(=O)NC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020227373	0	43	-1.0	-49.64	379.44	1.54	-48.10
COC(=O)NC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020227373	1	43	-1.0	-49.68	379.49	1.56	-48.12
COC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227374	0	40	-1.0	-46.88	336.80	1.69	-45.19
COC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227374	1	40	-1.0	-46.86	336.87	1.69	-45.17
COC(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227375	0	46	-1.0	-49.26	366.29	2.69	-46.57
COC(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227375	1	46	-1.0	-49.27	366.33	2.71	-46.56
COCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020227376	0	49	-1.0	-46.46	406.59	5.21	-41.25
COCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020227376	1	49	-1.0	-46.45	406.53	5.18	-41.27
COCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020227377	0	49	-1.0	-45.28	385.88	4.66	-40.62
COCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020227377	1	49	-1.0	-45.28	385.94	4.67	-40.61
COCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020227378	0	46	-1.0	-57.04	371.12	3.75	-53.29
COCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020227378	1	46	-1.0	-57.02	371.18	3.77	-53.25
COCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020227379	0	49	-1.0	-48.25	415.78	3.74	-44.51
COCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020227379	1	49	-1.0	-48.25	415.84	3.75	-44.50
COCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020227380	0	46	-1.0	-45.81	372.64	3.79	-42.02
COCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020227380	1	46	-1.0	-45.79	372.71	3.81	-41.98
COCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020227381	0	52	-1.0	-51.82	395.08	5.62	-46.20
COCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020227381	1	52	-1.0	-51.79	395.13	5.63	-46.16
CCOC1=CC(C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227382	0	45	-1.0	-42.36	374.92	5.79	-36.57
CCOC1=CC(C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227382	1	45	-1.0	-42.33	374.86	5.77	-36.56
CCOC1=CC(C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227383	0	45	-1.0	-44.07	355.18	5.32	-38.75
CCOC1=CC(C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227383	1	45	-1.0	-44.10	355.24	5.34	-38.76
CCOC1=CC(C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227384	0	42	-1.0	-54.27	339.76	4.39	-49.88
CCOC1=CC(C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227384	1	42	-1.0	-54.28	339.82	4.42	-49.86
CCOC1=CC(C)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227385	0	45	-1.0	-48.13	383.28	4.35	-43.78
CCOC1=CC(C)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227385	1	45	-1.0	-48.13	383.34	4.37	-43.76
CCOC1=CC(C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227386	0	42	-1.0	-44.08	341.93	4.44	-39.64
CCOC1=CC(C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227386	1	42	-1.0	-44.07	342.00	4.45	-39.62
CCOC1=CC(C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227387	0	48	-1.0	-50.92	363.56	6.30	-44.62
CCOC1=CC(C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227387	1	48	-1.0	-50.91	363.62	6.30	-44.61
CCCOC1=CC(C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227388	0	48	-1.0	-42.06	396.42	6.59	-35.47
CCCOC1=CC(C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227388	1	48	-1.0	-42.05	396.36	6.57	-35.48
CCCOC1=CC(C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227389	0	48	-1.0	-43.77	376.68	6.12	-37.65
CCCOC1=CC(C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227389	1	48	-1.0	-43.76	376.74	6.14	-37.62
CCCOC1=CC(C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227390	0	45	-1.0	-54.00	361.26	5.19	-48.81
CCCOC1=CC(C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227390	1	45	-1.0	-54.00	361.32	5.22	-48.78
CCCOC1=CC(C)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227391	0	48	-1.0	-47.61	404.78	5.15	-42.46
CCCOC1=CC(C)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227391	1	48	-1.0	-47.65	404.84	5.17	-42.48
CCCOC1=CC(C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227392	0	45	-1.0	-43.75	363.42	5.24	-38.51
CCCOC1=CC(C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227392	1	45	-1.0	-43.73	363.50	5.25	-38.48
CCCOC1=CC(C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227393	0	51	-1.0	-45.87	391.41	6.29	-39.58
CCCOC1=CC(C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227393	1	51	-1.0	-45.90	391.45	6.30	-39.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(Cl)=C1N1C=CC=N1	REAL300020227394	0	42	-1.0	-49.99	375.09	7.03	-42.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(Cl)=C1N1C=CC=N1	REAL300020227394	1	42	-1.0	-49.99	375.03	7.00	-42.99
O=C(NC1=CC=CC(Cl)=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227395	0	42	-1.0	-43.55	355.05	6.52	-37.03
O=C(NC1=CC=CC(Cl)=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227395	1	42	-1.0	-43.52	354.99	6.51	-37.01
O=C(NC1=CC=CC(Cl)=C1N1C=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020227396	0	39	-1.0	-49.59	339.96	5.58	-44.01
O=C(NC1=CC=CC(Cl)=C1N1C=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020227396	1	39	-1.0	-49.57	339.90	5.57	-44.00
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1N1C=CC=N1)C1=NN=N[N-]1	REAL300020227397	0	42	-1.0	-44.05	383.32	5.59	-38.46
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1N1C=CC=N1)C1=N[N-]N=N1	REAL300020227397	1	42	-1.0	-44.04	383.26	5.57	-38.47
O=C(NC1=CC=CC(Cl)=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227398	0	39	-1.0	-42.13	340.43	5.63	-36.50
O=C(NC1=CC=CC(Cl)=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227398	1	39	-1.0	-42.14	340.36	5.62	-36.52
O=C(NC1=CC=CC(Cl)=C1N1C=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227399	0	45	-1.0	-46.52	363.91	7.42	-39.10
O=C(NC1=CC=CC(Cl)=C1N1C=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227399	1	45	-1.0	-46.53	363.86	7.42	-39.11
O=C(NC1=CC=CN=C1OCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227400	0	48	-1.0	-42.78	390.30	5.15	-37.63
O=C(NC1=CC=CN=C1OCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227400	1	48	-1.0	-42.73	390.24	5.13	-37.60
O=C(NC1=CC=CN=C1OCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227401	0	45	-1.0	-52.41	376.70	4.24	-48.17
O=C(NC1=CC=CN=C1OCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227401	1	45	-1.0	-52.43	376.65	4.22	-48.21
CSCC[C@H](NC(=O)NC1=CC=CN=C1OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020227402	0	48	-1.0	-47.04	419.49	4.20	-42.84
CSCC[C@H](NC(=O)NC1=CC=CN=C1OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020227402	1	48	-1.0	-47.00	419.44	4.18	-42.82
O=C(NC1=CC=CN=C1OCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227403	0	45	-1.0	-43.14	378.13	4.29	-38.85
O=C(NC1=CC=CN=C1OCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227403	1	45	-1.0	-43.18	378.06	4.28	-38.90
O=C(NC1=CC=CN=C1OCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227404	0	51	-1.0	-47.50	398.08	6.04	-41.46
O=C(NC1=CC=CN=C1OCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227404	1	51	-1.0	-47.47	398.04	6.03	-41.44
CN(C(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020227405	0	49	-1.0	-77.95	389.42	6.35	-71.60
CN(C(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020227405	1	49	-1.0	-77.98	389.48	6.36	-71.62
CN(C(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)C1=CC=CC=C1	REAL300020227406	0	49	-1.0	-58.32	390.75	6.40	-51.92
CN(C(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C1=CC=CC=C1	REAL300020227406	1	49	-1.0	-58.33	390.83	6.40	-51.93
O=C(NC1=CC=CC(C(=O)N2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227407	0	52	-1.0	-54.63	397.10	6.21	-48.42
O=C(NC1=CC=CC(C(=O)N2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227407	1	52	-1.0	-54.66	397.15	6.23	-48.43
O=C(NC1=CC(C(=O)N2CCCCC2)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227408	0	49	-1.0	-75.49	383.12	5.30	-70.19
O=C(NC1=CC(C(=O)N2CCCCC2)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227408	1	49	-1.0	-75.47	383.18	5.32	-70.15
O=C(NC1=CC=CC(C(=O)N2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227409	0	49	-1.0	-58.40	384.85	5.35	-53.05
O=C(NC1=CC=CC(C(=O)N2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227409	1	49	-1.0	-58.42	384.93	5.37	-53.05
O=C(NC1=CC(C(=O)N2CCCCC2)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227410	0	55	-1.0	-49.60	412.78	6.42	-43.18
O=C(NC1=CC(C(=O)N2CCCCC2)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227410	1	55	-1.0	-49.58	412.83	6.44	-43.14
O=C(NC1=CC=C(C(=O)N2CCCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227411	0	55	-1.0	-45.97	408.54	7.03	-38.94
O=C(NC1=CC=C(C(=O)N2CCCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227411	1	55	-1.0	-45.95	408.60	7.05	-38.90
O=C(NC1=CC=C(C(=O)N2CCCCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227412	0	52	-1.0	-60.84	393.91	6.16	-54.68
O=C(NC1=CC=C(C(=O)N2CCCCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227412	1	52	-1.0	-60.85	393.96	6.17	-54.68
O=C(NC1=CC=C(C(=O)N2CCCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227413	0	52	-1.0	-51.06	395.23	6.23	-44.83
O=C(NC1=CC=C(C(=O)N2CCCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227413	1	52	-1.0	-51.13	395.31	6.23	-44.90
CC1=CC(C(=O)N2CCC(C)CC2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227414	0	55	-1.0	-52.84	420.59	6.79	-46.05
CC1=CC(C(=O)N2CCC(C)CC2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227414	1	55	-1.0	-52.84	420.65	6.80	-46.04
CC1=CC(C(=O)N2CCC(C)CC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227415	0	55	-1.0	-44.94	423.50	6.80	-38.14
CC1=CC(C(=O)N2CCC(C)CC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227415	1	55	-1.0	-44.91	423.57	6.82	-38.09
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OCC2=CC=CC=C2)=C1	REAL300020227416	0	52	-1.0	-44.66	415.09	8.38	-36.28
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OCC2=CC=CC=C2)=C1	REAL300020227416	1	52	-1.0	-44.68	415.15	8.39	-36.29
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OCC2=CC=CC=C2)=C1	REAL300020227417	0	49	-1.0	-55.69	399.50	7.47	-48.22
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OCC2=CC=CC=C2)=C1	REAL300020227417	1	49	-1.0	-55.71	399.56	7.49	-48.22
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCC2=CC=CC=C2)=C1	REAL300020227418	0	49	-1.0	-44.74	401.84	7.49	-37.25
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCC2=CC=CC=C2)=C1	REAL300020227418	1	49	-1.0	-44.70	401.91	7.51	-37.19
CC(C)COC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227419	0	48	-1.0	-41.66	394.18	6.63	-35.03
CC(C)COC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227419	1	48	-1.0	-41.62	394.12	6.61	-35.01
CC(C)COC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227420	0	48	-1.0	-44.01	376.19	6.13	-37.88
CC(C)COC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227420	1	48	-1.0	-44.08	376.25	6.15	-37.93
CC(C)COC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227421	0	45	-1.0	-53.81	359.96	5.22	-48.59
CC(C)COC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227421	1	45	-1.0	-53.78	360.02	5.23	-48.55
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC(C)C)C1=N[N-]N=N1	REAL300020227422	0	48	-1.0	-47.38	403.48	5.17	-42.21
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC(C)C)C1=NN=N[N-]1	REAL300020227422	1	48	-1.0	-47.39	403.54	5.19	-42.20
CC(C)COC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227423	0	45	-1.0	-43.32	361.31	5.28	-38.04
CC(C)COC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227423	1	45	-1.0	-43.29	361.39	5.29	-38.00
CC(C)COC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227424	0	51	-1.0	-45.74	390.11	6.31	-39.43
CC(C)COC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227424	1	51	-1.0	-45.73	390.16	6.32	-39.41
CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227425	0	42	-1.0	-45.46	354.67	4.98	-40.48
CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227425	1	42	-1.0	-45.44	354.62	4.95	-40.49
CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227426	0	42	-1.0	-43.89	334.26	4.56	-39.33
CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227426	1	42	-1.0	-43.93	334.32	4.58	-39.35
CCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227427	0	39	-1.0	-61.51	319.84	3.62	-57.89
CCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227427	1	39	-1.0	-61.57	319.90	3.63	-57.94
CCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020227428	0	42	-1.0	-46.65	363.38	3.59	-43.06
CCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020227428	1	42	-1.0	-46.68	363.44	3.60	-43.08
CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227429	0	39	-1.0	-48.47	321.50	3.64	-44.83
CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227429	1	39	-1.0	-48.44	321.57	3.66	-44.78
CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227430	0	45	-1.0	-49.10	343.51	5.40	-43.70
CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227430	1	45	-1.0	-49.13	343.56	5.41	-43.72
CC1=CC(OC(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227431	0	48	-1.0	-41.99	390.47	6.57	-35.42
CC1=CC(OC(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227431	1	48	-1.0	-41.99	390.42	6.54	-35.45
CC1=CC(OC(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227432	0	48	-1.0	-45.26	373.79	6.12	-39.14
CC1=CC(OC(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227432	1	48	-1.0	-45.25	373.85	6.14	-39.11
CC1=CC(OC(C)C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227433	0	45	-1.0	-55.51	357.48	5.18	-50.33
CC1=CC(OC(C)C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227433	1	45	-1.0	-55.47	357.54	5.19	-50.28
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C=C1C)C1=N[N-]N=N1	REAL300020227434	0	48	-1.0	-46.49	401.19	5.13	-41.36
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C=C1C)C1=NN=N[N-]1	REAL300020227434	1	48	-1.0	-46.44	401.24	5.14	-41.30
CC1=CC(OC(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227435	0	45	-1.0	-44.18	357.98	5.19	-38.99
CC1=CC(OC(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227435	1	45	-1.0	-44.17	358.06	5.21	-38.96
CC1=CC(OC(C)C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227436	0	51	-1.0	-41.48	378.18	6.04	-35.44
CC1=CC(OC(C)C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227436	1	51	-1.0	-41.53	378.22	6.08	-35.45
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020227437	0	45	-1.0	-58.37	392.14	6.31	-52.06
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020227437	1	45	-1.0	-58.34	392.19	6.33	-52.01
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020227438	0	45	-1.0	-46.49	372.93	5.86	-40.63
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020227438	1	45	-1.0	-46.51	372.99	5.87	-40.64
CCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020227439	0	42	-1.0	-58.77	357.36	4.97	-53.80
CCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020227439	1	42	-1.0	-58.77	357.41	4.98	-53.79
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020227440	0	45	-1.0	-44.75	400.90	4.93	-39.82
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020227440	1	45	-1.0	-44.76	400.95	4.94	-39.82
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020227441	0	42	-1.0	-46.82	358.76	5.03	-41.79
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020227441	1	42	-1.0	-46.90	358.84	5.03	-41.87
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020227442	0	48	-1.0	-40.43	387.42	6.04	-34.39
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020227442	1	48	-1.0	-40.46	387.48	6.07	-34.39
CC1CN(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)O1	REAL300020227443	0	54	-1.0	-41.76	408.69	5.34	-36.42
CC1CN(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)O1	REAL300020227443	1	54	-1.0	-41.80	408.75	5.35	-36.45
CC1CN(C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)CC(C)O1	REAL300020227444	0	51	-1.0	-52.85	396.99	4.30	-48.55
CC1CN(C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)CC(C)O1	REAL300020227444	1	51	-1.0	-52.83	397.05	4.32	-48.51
CC1CN(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)CC(C)O1	REAL300020227445	0	51	-1.0	-42.01	393.90	4.58	-37.43
CC1CN(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)CC(C)O1	REAL300020227445	1	51	-1.0	-42.04	393.97	4.59	-37.45
CC1CN(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)CC(C)O1	REAL300020227446	0	57	-1.0	-47.75	420.77	6.08	-41.67
CC1CN(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)CC(C)O1	REAL300020227446	1	57	-1.0	-47.75	420.83	6.10	-41.65
CCC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227447	0	54	-1.0	-45.42	409.79	5.26	-40.16
CCC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227447	1	54	-1.0	-45.39	409.84	5.27	-40.12
CCC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227448	0	51	-1.0	-53.63	394.33	4.34	-49.29
CCC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227448	1	51	-1.0	-53.62	394.39	4.36	-49.26
CCC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227449	0	51	-1.0	-45.08	396.01	4.37	-40.71
CCC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227449	1	51	-1.0	-45.09	396.08	4.38	-40.71
CCC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227450	0	57	-1.0	-49.92	417.94	6.15	-43.77
CCC(C)(C)NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227450	1	57	-1.0	-49.94	417.99	6.16	-43.78
CC1=NN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2F)C(C)=C1	REAL300020227451	0	48	-1.0	-46.55	391.99	6.68	-39.87
CC1=NN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2F)C(C)=C1	REAL300020227451	1	48	-1.0	-46.57	392.05	6.70	-39.87
CC1=NN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2F)C(C)=C1	REAL300020227452	0	45	-1.0	-61.02	376.14	5.75	-55.27
CC1=NN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2F)C(C)=C1	REAL300020227452	1	45	-1.0	-61.02	376.20	5.77	-55.25
CC1=NN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2F)C(C)=C1	REAL300020227453	0	45	-1.0	-45.92	377.12	5.84	-40.08
CC1=NN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2F)C(C)=C1	REAL300020227453	1	45	-1.0	-45.92	377.19	5.84	-40.08
CC1=CC(C)=NN1C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020227454	0	51	-1.0	-45.75	403.62	6.78	-38.97
CC1=CC(C)=NN1C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020227454	1	51	-1.0	-49.03	403.65	6.79	-42.24
CC1CCCCN1C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227455	0	55	-1.0	-45.86	411.37	6.80	-39.06
CC1CCCCN1C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227455	1	55	-1.0	-45.91	411.42	6.81	-39.10
CC1CCCCN1C(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227456	0	52	-1.0	-54.68	397.72	5.87	-48.81
CC1CCCCN1C(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227456	1	52	-1.0	-54.67	397.78	5.90	-48.77
CC1CCCCN1C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227457	0	52	-1.0	-50.60	397.63	5.90	-44.70
CC1CCCCN1C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227457	1	52	-1.0	-50.59	397.70	5.92	-44.67
CC(C)NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020227458	0	48	-1.0	-50.99	401.29	4.79	-46.20
CC(C)NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020227458	1	48	-1.0	-51.02	401.24	4.76	-46.26
CC(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227459	0	48	-1.0	-46.15	382.38	4.26	-41.89
CC(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227459	1	48	-1.0	-46.15	382.43	4.28	-41.87
CC(C)NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227460	0	45	-1.0	-54.12	366.92	3.35	-50.77
CC(C)NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227460	1	45	-1.0	-54.14	366.98	3.36	-50.78
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)NC(C)C)C=C1)C1=N[N-]N=N1	REAL300020227461	0	48	-1.0	-56.74	410.77	3.28	-53.46
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)NC(C)C)C=C1)C1=NN=N[N-]1	REAL300020227461	1	48	-1.0	-56.72	410.83	3.30	-53.42
CC(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227462	0	45	-1.0	-45.89	368.59	3.38	-42.51
CC(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227462	1	45	-1.0	-45.89	368.67	3.39	-42.50
CC(C)NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227463	0	51	-1.0	-50.40	390.53	5.16	-45.24
CC(C)NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227463	1	51	-1.0	-50.43	390.58	5.16	-45.27
CCNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020227464	0	48	-1.0	-46.28	399.39	4.84	-41.44
CCNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020227464	1	48	-1.0	-46.24	399.34	4.82	-41.42
CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020227465	0	48	-1.0	-45.45	380.36	4.31	-41.14
CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020227465	1	48	-1.0	-45.47	380.42	4.32	-41.15
CCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020227466	0	45	-1.0	-54.10	363.93	3.38	-50.72
CCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020227466	1	45	-1.0	-54.14	363.99	3.41	-50.73
CCNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020227467	0	48	-1.0	-48.17	408.59	3.36	-44.81
CCNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020227467	1	48	-1.0	-48.22	408.65	3.38	-44.84
CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020227468	0	45	-1.0	-45.47	365.44	3.42	-42.05
CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020227468	1	45	-1.0	-45.43	365.52	3.43	-42.00
CCNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020227469	0	51	-1.0	-50.84	387.90	5.25	-45.59
CCNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020227469	1	51	-1.0	-50.86	387.95	5.25	-45.61
O=C(NC1=CC=CC(F)=C1)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227470	0	46	-1.0	-79.46	387.05	5.46	-74.00
O=C(NC1=CC=CC(F)=C1)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227470	1	46	-1.0	-79.38	387.10	5.47	-73.91
O=C(NC1=CC=CC(F)=C1)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227471	0	46	-1.0	-61.90	388.39	5.51	-56.39
O=C(NC1=CC=CC(F)=C1)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227471	1	46	-1.0	-61.88	388.46	5.52	-56.36
COC(=O)C1=CC(C(=O)OC)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227472	0	47	-1.0	-49.08	393.60	5.60	-43.48
COC(=O)C1=CC(C(=O)OC)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227472	1	47	-1.0	-49.13	393.66	5.61	-43.52
COC(=O)C1=CC(C(=O)OC)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227473	0	44	-1.0	-58.11	378.34	4.67	-53.44
COC(=O)C1=CC(C(=O)OC)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227473	1	44	-1.0	-58.09	378.40	4.70	-53.39
COC(=O)C1=CC(C(=O)OC)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227474	0	44	-1.0	-49.54	379.69	4.74	-44.80
COC(=O)C1=CC(C(=O)OC)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227474	1	44	-1.0	-49.54	379.77	4.75	-44.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(C2=CC=CC=C2)N=C1	REAL300020227475	0	43	-1.0	-47.44	372.08	6.12	-41.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(C2=CC=CC=C2)N=C1	REAL300020227475	1	43	-1.0	-47.45	372.02	6.09	-41.36
O=C(NC1=CN=C(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227476	0	43	-1.0	-46.49	353.31	5.58	-40.91
O=C(NC1=CN=C(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227476	1	43	-1.0	-46.53	353.26	5.57	-40.96
O=C(NC1=CN=C(C2=CC=CC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227477	0	40	-1.0	-55.05	338.00	4.67	-50.38
O=C(NC1=CN=C(C2=CC=CC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227477	1	40	-1.0	-54.98	337.94	4.64	-50.34
CSCC[C@H](NC(=O)NC1=CN=C(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020227478	0	43	-1.0	-48.67	381.30	4.66	-44.01
CSCC[C@H](NC(=O)NC1=CN=C(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020227478	1	43	-1.0	-48.67	381.25	4.65	-44.02
O=C(NC1=CN=C(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227479	0	40	-1.0	-46.48	339.21	4.75	-41.73
O=C(NC1=CN=C(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227479	1	40	-1.0	-46.46	339.13	4.74	-41.72
O=C(NC1=CN=C(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227480	0	46	-1.0	-42.54	365.99	5.73	-36.81
O=C(NC1=CN=C(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227480	1	46	-1.0	-42.56	366.13	5.73	-36.83
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020227481	0	41	-1.0	-47.28	362.55	5.47	-41.81
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020227481	1	41	-1.0	-47.26	362.49	5.45	-41.81
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020227482	0	41	-1.0	-44.31	342.12	5.02	-39.29
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020227482	1	41	-1.0	-44.33	342.18	5.04	-39.29
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020227483	0	38	-1.0	-56.49	328.16	4.05	-52.44
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020227483	1	38	-1.0	-56.53	328.21	4.07	-52.46
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020227484	0	41	-1.0	-49.93	371.67	4.01	-45.92
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020227484	1	41	-1.0	-49.94	371.73	4.03	-45.91
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020227485	0	38	-1.0	-49.01	329.53	4.11	-44.90
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020227485	1	38	-1.0	-49.00	329.60	4.11	-44.89
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020227486	0	44	-1.0	-40.28	355.91	5.15	-35.13
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020227486	1	44	-1.0	-40.27	355.94	5.16	-35.11
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1SC(F)(F)F	REAL300020227487	0	39	-1.0	-39.43	356.23	6.34	-33.09
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1SC(F)(F)F	REAL300020227487	1	39	-1.0	-39.46	356.29	6.37	-33.09
O=C(NC1=CC=CC=C1SC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227488	0	39	-1.0	-41.01	337.49	5.87	-35.14
O=C(NC1=CC=CC=C1SC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227488	1	39	-1.0	-41.01	337.55	5.89	-35.12
O=C(NC1=CC=CC=C1SC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020227489	0	36	-1.0	-49.79	322.94	4.97	-44.82
O=C(NC1=CC=CC=C1SC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020227489	1	36	-1.0	-49.80	322.99	4.99	-44.81
CSCC[C@H](NC(=O)NC1=CC=CC=C1SC(F)(F)F)C1=N[N-]N=N1	REAL300020227490	0	39	-1.0	-43.28	365.59	4.92	-38.36
CSCC[C@H](NC(=O)NC1=CC=CC=C1SC(F)(F)F)C1=NN=N[N-]1	REAL300020227490	1	39	-1.0	-43.28	365.65	4.94	-38.34
O=C(NC1=CC=CC=C1SC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020227491	0	36	-1.0	-40.40	323.44	5.02	-35.38
O=C(NC1=CC=CC=C1SC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020227491	1	36	-1.0	-40.41	323.51	5.02	-35.39
O=C(NC1=CC=CC=C1SC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020227492	0	42	-1.0	-39.44	347.97	6.01	-33.43
O=C(NC1=CC=CC=C1SC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020227492	1	42	-1.0	-39.46	348.02	6.03	-33.43
O=C(NC1=CC([N+](=O)[O-])=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227493	0	41	-1.0	-49.02	350.98	4.63	-44.39
O=C(NC1=CC([N+](=O)[O-])=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227493	1	41	-1.0	-48.99	351.04	4.65	-44.34
O=C(NC1=CC([N+](=O)[O-])=CC=C1OC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020227494	0	38	-1.0	-58.43	334.47	3.73	-54.70
O=C(NC1=CC([N+](=O)[O-])=CC=C1OC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020227494	1	38	-1.0	-58.47	334.53	3.76	-54.71
O=C(NC1=CC([N+](=O)[O-])=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020227495	0	38	-1.0	-48.96	336.62	3.79	-45.17
O=C(NC1=CC([N+](=O)[O-])=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020227495	1	38	-1.0	-48.96	336.70	3.80	-45.16
O=C(NC1=CC([N+](=O)[O-])=CC=C1OC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020227496	0	44	-1.0	-54.09	358.44	5.52	-48.57
O=C(NC1=CC([N+](=O)[O-])=CC=C1OC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020227496	1	44	-1.0	-54.13	358.50	5.52	-48.61
CC1=NN(C(C)(C)C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227497	0	47	-1.0	-43.01	379.17	6.30	-36.71
CC1=NN(C(C)(C)C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227497	1	47	-1.0	-42.97	379.11	6.27	-36.70
CC1=NN(C(C)(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227498	0	47	-1.0	-44.93	359.92	5.81	-39.12
CC1=NN(C(C)(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227498	1	47	-1.0	-44.91	359.98	5.82	-39.09
CC1=NN(C(C)(C)C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227499	0	44	-1.0	-55.36	344.48	4.89	-50.47
CC1=NN(C(C)(C)C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227499	1	44	-1.0	-55.38	344.54	4.91	-50.47
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C(C)(C)C)C1=N[N-]N=N1	REAL300020227500	0	47	-1.0	-47.95	388.09	4.86	-43.09
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C(C)(C)C)C1=NN=N[N-]1	REAL300020227500	1	47	-1.0	-47.93	388.15	4.87	-43.06
CC1=NN(C(C)(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227501	0	44	-1.0	-44.83	345.95	4.94	-39.89
CC1=NN(C(C)(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227501	1	44	-1.0	-44.84	346.03	4.96	-39.88
CC1=NN(C(C)(C)C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227502	0	50	-1.0	-52.41	367.94	6.67	-45.74
CC1=NN(C(C)(C)C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227502	1	50	-1.0	-52.41	367.99	6.69	-45.72
NC(=O)C1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227503	0	39	-1.0	-66.53	342.25	1.67	-64.86
NC(=O)C1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227503	1	39	-1.0	-66.55	342.19	1.65	-64.90
NC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227504	0	39	-1.0	-52.45	323.09	1.21	-51.24
NC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227504	1	39	-1.0	-52.44	323.15	1.23	-51.21
NC(=O)C1=CC=C(F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227505	0	36	-1.0	-68.38	308.93	0.28	-68.10
NC(=O)C1=CC=C(F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227505	1	36	-1.0	-68.36	308.99	0.30	-68.06
CSCC[C@H](NC(=O)NC1=CC(C(N)=O)=CC=C1F)C1=N[N-]N=N1	REAL300020227506	0	39	-1.0	-60.34	351.62	0.23	-60.11
CSCC[C@H](NC(=O)NC1=CC(C(N)=O)=CC=C1F)C1=NN=N[N-]1	REAL300020227506	1	39	-1.0	-60.37	351.67	0.25	-60.12
NC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227507	0	36	-1.0	-53.77	310.27	0.33	-53.44
NC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227507	1	36	-1.0	-53.76	310.35	0.35	-53.41
NC(=O)C1=CC=C(F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227508	0	42	-1.0	-58.53	332.16	2.06	-56.47
NC(=O)C1=CC=C(F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227508	1	42	-1.0	-58.55	332.22	2.07	-56.48
COCCN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020227509	0	42	-1.0	-45.40	360.53	2.44	-42.96
COCCN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020227509	1	42	-1.0	-45.38	360.47	2.42	-42.96
COCCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020227510	0	42	-1.0	-46.60	341.34	1.99	-44.61
COCCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020227510	1	42	-1.0	-46.60	341.28	1.97	-44.63
COCCN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020227511	0	39	-1.0	-57.76	325.89	1.06	-56.70
COCCN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020227511	1	39	-1.0	-57.77	325.83	1.05	-56.72
COCCN1C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020227512	0	42	-1.0	-50.63	369.51	1.03	-49.60
COCCN1C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020227512	1	42	-1.0	-50.68	369.45	1.02	-49.66
COCCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020227513	0	39	-1.0	-47.53	327.38	1.11	-46.42
COCCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020227513	1	39	-1.0	-47.52	327.30	1.09	-46.43
COCCN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020227514	0	45	-1.0	-53.70	349.34	2.86	-50.84
COCCN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020227514	1	45	-1.0	-53.66	349.30	2.86	-50.80
CC1=NOC(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020227515	0	43	-1.0	-44.42	370.53	4.44	-39.98
CC1=NOC(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020227515	1	43	-1.0	-44.44	370.48	4.42	-40.02
CC1=NOC(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020227516	0	43	-1.0	-43.38	350.09	3.87	-39.51
CC1=NOC(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020227516	1	43	-1.0	-43.34	350.03	3.86	-39.48
CC1=NOC(C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020227517	0	40	-1.0	-53.08	336.14	3.01	-50.07
CC1=NOC(C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020227517	1	40	-1.0	-53.07	336.08	3.00	-50.07
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=NC(C)=NO1)C1=NN=N[N-]1	REAL300020227518	0	43	-1.0	-45.88	378.79	2.92	-42.96
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=NC(C)=NO1)C1=N[N-]N=N1	REAL300020227518	1	43	-1.0	-45.92	378.73	2.90	-43.02
CC1=NOC(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020227519	0	40	-1.0	-43.62	337.63	3.06	-40.56
CC1=NOC(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020227519	1	40	-1.0	-43.64	337.56	3.04	-40.60
CC1=NOC(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020227520	0	46	-1.0	-47.30	358.79	4.94	-42.36
CC1=NOC(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020227520	1	46	-1.0	-47.32	358.71	4.93	-42.39
O=C(NC1=CC=C(N2N=CC=N2)C=C1C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020227521	0	41	-1.0	-52.41	357.10	4.58	-47.83
O=C(NC1=CC=C(N2N=CC=N2)C=C1C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020227521	1	41	-1.0	-52.41	357.04	4.55	-47.86
O=C(NC1=CC=C(N2N=CC=N2)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020227522	0	41	-1.0	-42.79	357.68	4.57	-38.22
O=C(NC1=CC=C(N2N=CC=N2)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020227522	1	41	-1.0	-42.82	357.61	4.56	-38.26
NC(=O)CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227523	0	46	-1.0	-45.94	390.26	2.02	-43.92
NC(=O)CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227523	1	46	-1.0	-45.90	390.20	1.99	-43.91
NC(=O)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227524	0	46	-1.0	-48.27	371.46	1.53	-46.74
NC(=O)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227524	1	46	-1.0	-48.33	371.52	1.54	-46.79
NC(=O)CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227525	0	43	-1.0	-59.22	356.83	0.59	-58.63
NC(=O)CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227525	1	43	-1.0	-59.22	356.89	0.61	-58.61
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCCC(N)=O)C1=N[N-]N=N1	REAL300020227526	0	46	-1.0	-51.92	399.56	0.57	-51.35
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCCC(N)=O)C1=NN=N[N-]1	REAL300020227526	1	46	-1.0	-51.91	399.62	0.58	-51.33
NC(=O)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227527	0	43	-1.0	-48.05	357.40	0.68	-47.37
NC(=O)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227527	1	43	-1.0	-48.04	357.47	0.68	-47.36
NC(=O)CCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227528	0	49	-1.0	-46.08	383.71	1.76	-44.32
NC(=O)CCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227528	1	49	-1.0	-46.05	383.77	1.77	-44.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(N2CCCC2)C(F)=C1	REAL300020227529	0	47	-1.0	-52.30	383.83	5.15	-47.15
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(N2CCCC2)C(F)=C1	REAL300020227529	1	47	-1.0	-52.28	383.77	5.13	-47.15
O=C(NC1=CC=C(N2CCCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227530	0	47	-1.0	-42.87	364.37	4.69	-38.18
O=C(NC1=CC=C(N2CCCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227530	1	47	-1.0	-42.89	364.42	4.71	-38.18
O=C(NC1=CC=C(N2CCCC2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227531	0	44	-1.0	-51.81	349.05	3.79	-48.02
O=C(NC1=CC=C(N2CCCC2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227531	1	44	-1.0	-51.81	349.11	3.80	-48.01
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2)C(F)=C1)C1=N[N-]N=N1	REAL300020227532	0	47	-1.0	-45.63	392.75	3.72	-41.91
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2)C(F)=C1)C1=NN=N[N-]1	REAL300020227532	1	47	-1.0	-45.62	392.80	3.74	-41.88
O=C(NC1=CC=C(N2CCCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227533	0	44	-1.0	-42.75	350.43	3.85	-38.90
O=C(NC1=CC=C(N2CCCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227533	1	44	-1.0	-42.71	350.50	3.85	-38.86
O=C(NC1=CC=C(N2CCCC2)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227534	0	50	-1.0	-41.84	379.44	4.92	-36.92
O=C(NC1=CC=C(N2CCCC2)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227534	1	50	-1.0	-41.86	379.48	4.94	-36.92
CNC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020227535	0	42	-1.0	-46.05	372.17	3.59	-42.46
CNC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020227535	1	42	-1.0	-46.08	372.12	3.56	-42.52
CNC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020227536	0	42	-1.0	-46.65	351.72	3.12	-43.53
CNC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020227536	1	42	-1.0	-46.69	351.77	3.14	-43.55
CNC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020227537	0	39	-1.0	-54.59	337.79	2.15	-52.44
CNC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020227537	1	39	-1.0	-54.62	337.85	2.17	-52.45
CNC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Cl	REAL300020227538	0	42	-1.0	-47.61	381.29	2.13	-45.48
CNC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Cl	REAL300020227538	1	42	-1.0	-47.60	381.35	2.15	-45.45
CNC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020227539	0	39	-1.0	-47.39	339.15	2.22	-45.17
CNC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020227539	1	39	-1.0	-47.41	339.22	2.22	-45.19
CNC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020227540	0	45	-1.0	-39.92	365.53	3.27	-36.65
CNC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020227540	1	45	-1.0	-39.96	365.57	3.27	-36.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=C(N2CCCC2)C(F)=C1	REAL300020227541	0	47	-1.0	-42.08	390.11	5.37	-36.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=C(N2CCCC2)C(F)=C1	REAL300020227541	1	47	-1.0	-42.08	390.17	5.39	-36.69
O=C(NC1=CC(F)=C(N2CCCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227542	0	47	-1.0	-43.34	371.00	4.90	-38.44
O=C(NC1=CC(F)=C(N2CCCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227542	1	47	-1.0	-43.43	371.05	4.91	-38.52
O=C(NC1=CC(F)=C(N2CCCC2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227543	0	44	-1.0	-51.88	355.74	3.99	-47.89
O=C(NC1=CC(F)=C(N2CCCC2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227543	1	44	-1.0	-51.91	355.80	4.01	-47.90
CSCC[C@H](NC(=O)NC1=CC(F)=C(N2CCCC2)C(F)=C1)C1=N[N-]N=N1	REAL300020227544	0	47	-1.0	-47.21	398.84	3.99	-43.22
CSCC[C@H](NC(=O)NC1=CC(F)=C(N2CCCC2)C(F)=C1)C1=NN=N[N-]1	REAL300020227544	1	47	-1.0	-47.24	398.89	4.01	-43.23
O=C(NC1=CC(F)=C(N2CCCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227545	0	44	-1.0	-43.68	357.12	4.04	-39.64
O=C(NC1=CC(F)=C(N2CCCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227545	1	44	-1.0	-43.68	357.20	4.05	-39.63
O=C(NC1=CC(F)=C(N2CCCC2)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227546	0	50	-1.0	-41.08	383.70	5.05	-36.03
O=C(NC1=CC(F)=C(N2CCCC2)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227546	1	50	-1.0	-41.09	383.74	5.05	-36.04
COCCOC1=CC(C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227547	0	49	-1.0	-44.06	408.55	5.06	-39.00
COCCOC1=CC(C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227547	1	49	-1.0	-44.09	408.49	5.04	-39.05
COCCOC1=CC(C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227548	0	49	-1.0	-45.99	388.81	4.58	-41.41
COCCOC1=CC(C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227548	1	49	-1.0	-46.00	388.86	4.60	-41.40
COCCOC1=CC(C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227549	0	46	-1.0	-55.64	373.38	3.66	-51.98
COCCOC1=CC(C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227549	1	46	-1.0	-55.64	373.44	3.69	-51.95
COCCOC1=CC(C)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227550	0	49	-1.0	-50.16	416.91	3.62	-46.54
COCCOC1=CC(C)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227550	1	49	-1.0	-50.19	416.97	3.64	-46.55
COCCOC1=CC(C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227551	0	46	-1.0	-46.54	375.55	3.70	-42.84
COCCOC1=CC(C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227551	1	46	-1.0	-46.54	375.63	3.71	-42.83
COCCOC1=CC(C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227552	0	52	-1.0	-52.19	397.19	5.57	-46.62
COCCOC1=CC(C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227552	1	52	-1.0	-52.23	397.24	5.57	-46.66
O=C([N-]C1=NN=C(C2=CC=CO2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227553	0	36	-2.0	-92.97	344.47	2.94	-90.03
O=C([N-]C1=NN=C(C2=CC=CO2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227553	1	36	-2.0	-92.91	344.41	2.92	-89.99
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227554	0	36	-2.0	-95.36	327.45	2.80	-92.56
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227554	1	36	-2.0	-95.37	327.51	2.81	-92.56
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020227555	0	33	-2.0	-118.47	311.63	1.69	-116.78
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020227555	1	33	-2.0	-118.48	311.69	1.71	-116.77
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CO2)S1)C1=N[N-]N=N1	REAL300020227556	0	36	-2.0	-107.97	353.40	1.50	-106.47
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CO2)S1)C1=NN=N[N-]1	REAL300020227556	1	36	-2.0	-107.96	353.46	1.52	-106.44
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227557	0	33	-2.0	-96.61	312.37	1.75	-94.86
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227557	1	33	-2.0	-96.61	312.45	1.76	-94.85
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227558	0	39	-2.0	-116.30	335.95	3.67	-112.63
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227558	1	39	-2.0	-116.31	336.00	3.68	-112.63
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227559	0	39	-2.0	-88.51	359.70	5.20	-83.31
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227559	1	39	-2.0	-88.50	359.65	5.17	-83.33
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227560	0	39	-2.0	-91.25	342.71	5.07	-86.18
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227560	1	39	-2.0	-91.28	342.65	5.05	-86.23
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020227561	0	36	-2.0	-111.85	326.87	3.94	-107.91
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020227561	1	36	-2.0	-111.83	326.92	3.96	-107.87
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1)C1=N[N-]N=N1	REAL300020227562	0	39	-2.0	-102.07	368.64	3.77	-98.30
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1)C1=NN=N[N-]1	REAL300020227562	1	39	-2.0	-102.04	368.69	3.78	-98.26
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227563	0	36	-2.0	-91.07	327.68	4.00	-87.07
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227563	1	36	-2.0	-91.01	327.61	3.99	-87.02
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227564	0	42	-2.0	-110.41	351.33	6.06	-104.35
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227564	1	42	-2.0	-110.34	351.28	6.05	-104.29
CN(CC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227565	0	53	-1.0	-45.98	412.53	8.46	-37.52
CN(CC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227565	1	53	-1.0	-45.99	412.59	8.47	-37.52
CN(CC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227566	0	50	-1.0	-56.38	396.70	7.53	-48.85
CN(CC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227566	1	50	-1.0	-56.34	396.76	7.55	-48.79
CN(CC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227567	0	50	-1.0	-47.00	398.42	7.60	-39.40
CN(CC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227567	1	50	-1.0	-47.01	398.49	7.61	-39.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2NC(=O)COC2=C1	REAL300020227568	0	41	-1.0	-58.95	353.95	2.02	-56.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2NC(=O)COC2=C1	REAL300020227568	1	41	-1.0	-58.98	353.89	1.99	-56.99
O=C(NC1=CC=C2NC(=O)COC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227569	0	41	-1.0	-45.16	334.83	1.51	-43.65
O=C(NC1=CC=C2NC(=O)COC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227569	1	41	-1.0	-45.22	334.89	1.52	-43.70
O=C(NC1=CC=C2NC(=O)COC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227570	0	38	-1.0	-56.31	319.59	0.59	-55.72
O=C(NC1=CC=C2NC(=O)COC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227570	1	38	-1.0	-56.33	319.65	0.61	-55.72
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)COC2=C1)C1=N[N-]N=N1	REAL300020227571	0	41	-1.0	-53.71	363.06	0.55	-53.16
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)COC2=C1)C1=NN=N[N-]1	REAL300020227571	1	41	-1.0	-53.69	363.12	0.57	-53.12
O=C(NC1=CC=C2NC(=O)COC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227572	0	38	-1.0	-48.45	320.96	0.65	-47.80
O=C(NC1=CC=C2NC(=O)COC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227572	1	38	-1.0	-48.52	321.03	0.65	-47.87
O=C(NC1=CC=C2NC(=O)COC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227573	0	44	-1.0	-41.92	347.31	1.68	-40.24
O=C(NC1=CC=C2NC(=O)COC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227573	1	44	-1.0	-41.90	347.38	1.69	-40.21
CCCNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020227574	0	48	-1.0	-50.80	402.17	4.72	-46.08
CCCNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020227574	1	48	-1.0	-50.82	402.11	4.70	-46.12
CCCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227575	0	48	-1.0	-45.74	382.01	4.19	-41.55
CCCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227575	1	48	-1.0	-45.72	382.07	4.21	-41.51
CCCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227576	0	45	-1.0	-53.83	367.79	3.28	-50.55
CCCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227576	1	45	-1.0	-53.82	367.85	3.30	-50.52
CCCNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020227577	0	48	-1.0	-56.32	411.65	3.21	-53.11
CCCNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020227577	1	48	-1.0	-56.35	411.70	3.23	-53.12
CCCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227578	0	45	-1.0	-45.63	369.47	3.31	-42.32
CCCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227578	1	45	-1.0	-45.59	369.54	3.32	-42.27
CCCNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227579	0	51	-1.0	-50.12	391.40	5.10	-45.02
CCCNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227579	1	51	-1.0	-50.16	391.45	5.10	-45.06
CC1=CC=CC(OC2=NC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020227580	0	51	-1.0	-44.07	406.08	5.93	-38.14
CC1=CC=CC(OC2=NC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020227580	1	51	-1.0	-43.99	406.02	5.91	-38.08
CC1=CC=CC(OC2=NC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020227581	0	48	-1.0	-53.95	389.16	4.85	-49.10
CC1=CC=CC(OC2=NC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020227581	1	48	-1.0	-53.92	389.10	4.83	-49.09
CC1=CC=CC(OC2=NC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020227582	0	48	-1.0	-43.82	390.52	4.91	-38.91
CC1=CC=CC(OC2=NC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020227582	1	48	-1.0	-43.87	390.44	4.89	-38.98
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227583	0	49	-1.0	-72.43	401.50	4.08	-68.35
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227583	1	49	-1.0	-72.39	401.44	4.05	-68.34
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227584	0	49	-1.0	-56.12	384.84	3.56	-52.56
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227584	1	49	-1.0	-56.13	384.90	3.57	-52.56
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227585	0	46	-1.0	-69.85	368.63	2.68	-67.17
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227585	1	46	-1.0	-69.86	368.69	2.70	-67.16
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227586	0	49	-1.0	-63.41	412.17	2.64	-60.77
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227586	1	49	-1.0	-63.42	412.23	2.66	-60.76
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227587	0	46	-1.0	-57.60	371.55	2.69	-54.91
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227587	1	46	-1.0	-57.58	371.63	2.70	-54.88
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227588	0	52	-1.0	-58.95	394.58	3.72	-55.23
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227588	1	52	-1.0	-58.97	394.63	3.74	-55.23
O=C(NC1=CC=C(CN2CCOC2=O)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227589	0	47	-1.0	-55.42	400.78	5.61	-49.81
O=C(NC1=CC=C(CN2CCOC2=O)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227589	1	47	-1.0	-55.45	400.84	5.64	-49.81
O=C(NC1=CC=C(CN2CCOC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227590	0	47	-1.0	-50.39	380.26	5.17	-45.22
O=C(NC1=CC=C(CN2CCOC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227590	1	47	-1.0	-50.36	380.32	5.19	-45.17
O=C(NC1=CC=C(CN2CCOC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227591	0	44	-1.0	-67.14	366.42	4.21	-62.93
O=C(NC1=CC=C(CN2CCOC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227591	1	44	-1.0	-67.12	366.48	4.22	-62.90
CSCC[C@H](NC(=O)NC1=CC=C(CN2CCOC2=O)C=C1)C1=N[N-]N=N1	REAL300020227592	0	47	-1.0	-65.43	409.98	4.14	-61.29
CSCC[C@H](NC(=O)NC1=CC=C(CN2CCOC2=O)C=C1)C1=NN=N[N-]1	REAL300020227592	1	47	-1.0	-65.41	410.04	4.15	-61.26
O=C(NC1=CC=C(CN2CCOC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227593	0	44	-1.0	-58.32	367.54	4.30	-54.02
O=C(NC1=CC=C(CN2CCOC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227593	1	44	-1.0	-58.34	367.61	4.30	-54.04
O=C(NC1=CC=C(CN2CCOC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227594	0	50	-1.0	-55.33	389.72	6.05	-49.28
O=C(NC1=CC=C(CN2CCOC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227594	1	50	-1.0	-55.32	389.76	6.06	-49.26
CC(C)CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020227595	0	48	-1.0	-52.21	399.54	4.51	-47.70
CC(C)CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020227595	1	48	-1.0	-52.24	399.60	4.53	-47.71
CC(C)CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020227596	0	48	-1.0	-44.59	400.90	4.57	-40.02
CC(C)CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020227596	1	48	-1.0	-44.61	400.98	4.58	-40.03
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020227597	0	45	-1.0	-42.15	373.00	5.93	-36.22
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020227597	1	45	-1.0	-42.11	372.94	5.91	-36.20
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020227598	0	45	-1.0	-44.40	353.07	5.36	-39.04
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020227598	1	45	-1.0	-44.43	353.13	5.38	-39.05
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020227599	0	42	-1.0	-55.25	338.61	4.50	-50.75
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020227599	1	42	-1.0	-55.23	338.67	4.52	-50.71
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020227600	0	45	-1.0	-46.73	382.15	4.47	-42.26
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020227600	1	45	-1.0	-46.77	382.21	4.48	-42.29
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020227601	0	42	-1.0	-44.16	339.01	4.52	-39.64
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020227601	1	42	-1.0	-44.16	339.09	4.53	-39.63
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020227602	0	48	-1.0	-41.26	361.55	5.48	-35.78
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020227602	1	48	-1.0	-41.25	361.58	5.51	-35.74
C=CCNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020227603	0	46	-1.0	-50.76	393.48	4.51	-46.25
C=CCNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020227603	1	46	-1.0	-50.80	393.42	4.48	-46.32
C=CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227604	0	46	-1.0	-45.61	373.32	3.98	-41.63
C=CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227604	1	46	-1.0	-45.65	373.38	4.00	-41.65
C=CCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227605	0	43	-1.0	-53.79	359.10	3.07	-50.72
C=CCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227605	1	43	-1.0	-53.81	359.16	3.08	-50.73
C=CCNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020227606	0	46	-1.0	-55.97	402.96	3.00	-52.97
C=CCNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020227606	1	46	-1.0	-55.98	403.01	3.02	-52.96
C=CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227607	0	43	-1.0	-45.52	360.78	3.10	-42.42
C=CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227607	1	43	-1.0	-45.55	360.85	3.11	-42.44
C=CCNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227608	0	49	-1.0	-50.03	382.71	4.89	-45.14
C=CCNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227608	1	49	-1.0	-50.05	382.76	4.88	-45.17
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(N2CCCC2=O)=CC=C1F	REAL300020227609	0	46	-1.0	-49.92	385.58	5.99	-43.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(N2CCCC2=O)=CC=C1F	REAL300020227609	1	46	-1.0	-49.95	385.64	6.02	-43.93
O=C(NC1=CC(N2CCCC2=O)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227610	0	46	-1.0	-44.46	367.43	5.51	-38.95
O=C(NC1=CC(N2CCCC2=O)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227610	1	46	-1.0	-44.52	367.49	5.53	-38.99
O=C(NC1=CC(N2CCCC2=O)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020227611	0	43	-1.0	-51.46	352.20	4.62	-46.84
O=C(NC1=CC(N2CCCC2=O)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020227611	1	43	-1.0	-51.46	352.26	4.65	-46.81
CSCC[C@H](NC(=O)NC1=CC(N2CCCC2=O)=CC=C1F)C1=N[N-]N=N1	REAL300020227612	0	46	-1.0	-45.43	394.87	4.58	-40.85
CSCC[C@H](NC(=O)NC1=CC(N2CCCC2=O)=CC=C1F)C1=NN=N[N-]1	REAL300020227612	1	46	-1.0	-45.46	394.93	4.60	-40.86
O=C(NC1=CC(N2CCCC2=O)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020227613	0	43	-1.0	-44.57	353.54	4.68	-39.89
O=C(NC1=CC(N2CCCC2=O)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020227613	1	43	-1.0	-44.58	353.61	4.69	-39.89
O=C(NC1=CC(N2CCCC2=O)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020227614	0	49	-1.0	-51.38	375.74	6.41	-44.97
O=C(NC1=CC(N2CCCC2=O)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020227614	1	49	-1.0	-51.39	375.80	6.41	-44.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1CN1CCOCC1	REAL300020227615	0	51	-1.0	-41.65	409.33	4.31	-37.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1CN1CCOCC1	REAL300020227615	1	51	-1.0	-41.64	409.27	4.28	-37.36
O=C(NC1=CC=CC=C1CN1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227616	0	51	-1.0	-45.19	384.13	3.81	-41.38
O=C(NC1=CC=CC=C1CN1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227616	1	51	-1.0	-45.22	384.19	3.82	-41.40
O=C(NC1=CC=CC=C1CN1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020227617	0	48	-1.0	-54.98	366.75	2.82	-52.16
O=C(NC1=CC=CC=C1CN1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020227617	1	48	-1.0	-55.00	366.81	2.84	-52.16
CSCC[C@H](NC(=O)NC1=CC=CC=C1CN1CCOCC1)C1=N[N-]N=N1	REAL300020227618	0	51	-1.0	-47.55	411.39	3.12	-44.43
CSCC[C@H](NC(=O)NC1=CC=CC=C1CN1CCOCC1)C1=NN=N[N-]1	REAL300020227618	1	51	-1.0	-47.59	411.45	3.13	-44.46
O=C(NC1=CC=CC=C1CN1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227619	0	48	-1.0	-44.53	368.15	2.88	-41.65
O=C(NC1=CC=CC=C1CN1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227619	1	48	-1.0	-44.52	368.23	2.89	-41.63
O=C(NC1=CC=CC=C1CN1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227620	0	54	-1.0	-50.15	390.31	4.83	-45.32
O=C(NC1=CC=CC=C1CN1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227620	1	54	-1.0	-50.18	390.33	4.84	-45.34
O=C(NC1=CC=CC(OCC2=CC=CC(F)=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227621	0	49	-1.0	-46.34	401.91	7.61	-38.73
O=C(NC1=CC=CC(OCC2=CC=CC(F)=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227621	1	49	-1.0	-46.33	401.97	7.62	-38.71
O=C(NC1=CC=CC(OCC2=CC=CC(F)=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227622	0	46	-1.0	-62.86	386.18	6.74	-56.12
O=C(NC1=CC=CC(OCC2=CC=CC(F)=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227622	1	46	-1.0	-62.83	386.23	6.76	-56.07
O=C(NC1=CC=CC(OCC2=CC=CC(F)=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227623	0	46	-1.0	-49.84	387.83	6.78	-43.06
O=C(NC1=CC=CC(OCC2=CC=CC(F)=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227623	1	46	-1.0	-49.83	387.90	6.78	-43.05
CN(C(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCC1	REAL300020227624	0	55	-1.0	-60.69	421.19	6.91	-53.78
CN(C(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCC1	REAL300020227624	1	55	-1.0	-60.67	421.24	6.93	-53.74
CN(C(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020227625	0	55	-1.0	-47.17	422.47	6.97	-40.20
CN(C(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020227625	1	55	-1.0	-47.15	422.54	6.99	-40.16
CC1=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=CC(C)=C1	REAL300020227626	0	52	-1.0	-44.94	415.58	8.44	-36.50
CC1=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=CC(C)=C1	REAL300020227626	1	52	-1.0	-44.92	415.64	8.45	-36.47
CC1=CC(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=CC(C)=C1	REAL300020227627	0	49	-1.0	-54.96	399.80	7.56	-47.40
CC1=CC(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=CC(C)=C1	REAL300020227627	1	49	-1.0	-54.92	399.86	7.57	-47.35
CC1=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=CC(C)=C1	REAL300020227628	0	49	-1.0	-45.48	401.34	7.62	-37.86
CC1=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=CC(C)=C1	REAL300020227628	1	49	-1.0	-45.48	401.41	7.62	-37.86
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020227629	0	42	-1.0	-60.97	360.89	5.05	-55.92
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020227629	1	42	-1.0	-61.00	360.84	5.02	-55.98
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020227630	0	42	-1.0	-48.47	341.64	4.57	-43.90
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020227630	1	42	-1.0	-48.52	341.70	4.59	-43.93
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020227631	0	39	-1.0	-61.51	326.06	3.68	-57.83
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020227631	1	39	-1.0	-61.52	326.12	3.69	-57.83
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020227632	0	42	-1.0	-45.22	369.60	3.64	-41.58
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020227632	1	42	-1.0	-45.22	369.66	3.66	-41.56
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020227633	0	39	-1.0	-48.88	327.47	3.74	-45.14
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020227633	1	39	-1.0	-48.91	327.54	3.75	-45.16
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020227634	0	45	-1.0	-41.69	356.13	4.77	-36.92
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020227634	1	45	-1.0	-41.66	356.18	4.79	-36.87
COC1=C(F)C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020227635	0	39	-1.0	-42.65	349.22	4.30	-38.35
COC1=C(F)C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020227635	1	39	-1.0	-42.61	349.16	4.27	-38.34
COC1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020227636	0	39	-1.0	-43.48	330.08	3.81	-39.67
COC1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020227636	1	39	-1.0	-43.52	330.14	3.83	-39.69
COC1=C(F)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020227637	0	36	-1.0	-52.46	314.24	2.93	-49.53
COC1=C(F)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020227637	1	36	-1.0	-52.50	314.30	2.94	-49.56
COC1=C(F)C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020227638	0	39	-1.0	-47.08	357.92	2.89	-44.19
COC1=C(F)C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020227638	1	39	-1.0	-47.07	357.98	2.91	-44.16
COC1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020227639	0	36	-1.0	-44.26	315.76	2.98	-41.28
COC1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020227639	1	36	-1.0	-44.28	315.83	2.99	-41.29
COC1=C(F)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020227640	0	42	-1.0	-50.15	337.91	4.81	-45.34
COC1=C(F)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020227640	1	42	-1.0	-50.15	337.96	4.83	-45.32
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227641	0	46	-1.0	-46.43	379.22	7.18	-39.25
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227641	1	46	-1.0	-46.42	379.28	7.19	-39.23
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227642	0	43	-1.0	-55.79	364.39	6.29	-49.50
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227642	1	43	-1.0	-55.81	364.44	6.30	-49.51
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227643	0	43	-1.0	-45.94	365.73	6.34	-39.60
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227643	1	43	-1.0	-45.93	365.80	6.35	-39.58
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227644	0	49	-1.0	-53.56	388.57	8.15	-45.41
O=C(NC1=CC=C(OC2=CC=CC(F)=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227644	1	49	-1.0	-53.59	388.62	8.15	-45.44
COC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=C1	REAL300020227645	0	50	-1.0	-45.68	401.02	6.44	-39.24
COC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=C1	REAL300020227645	1	50	-1.0	-45.69	401.08	6.46	-39.23
COC1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=C1	REAL300020227646	0	47	-1.0	-55.32	387.50	5.52	-49.80
COC1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=C1	REAL300020227646	1	47	-1.0	-55.32	387.56	5.54	-49.78
COC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020227647	0	47	-1.0	-46.37	388.83	5.57	-40.80
COC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020227647	1	47	-1.0	-46.38	388.90	5.59	-40.79
CC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020227648	0	44	-1.0	-41.95	371.99	3.40	-38.55
CC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020227648	1	44	-1.0	-41.95	371.93	3.38	-38.57
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020227649	0	44	-1.0	-43.85	353.09	2.91	-40.94
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020227649	1	44	-1.0	-43.84	353.03	2.89	-40.95
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020227650	0	41	-1.0	-52.06	337.90	1.96	-50.10
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020227650	1	41	-1.0	-52.07	337.84	1.95	-50.12
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)N=C1)C1=NN=N[N-]1	REAL300020227651	0	44	-1.0	-45.98	381.21	1.95	-44.03
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)N=C1)C1=N[N-]N=N1	REAL300020227651	1	44	-1.0	-46.01	381.15	1.93	-44.08
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020227652	0	41	-1.0	-43.65	339.28	2.02	-41.63
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020227652	1	41	-1.0	-43.65	339.21	2.01	-41.64
CC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020227653	0	47	-1.0	-40.35	367.67	3.00	-37.35
CC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020227653	1	47	-1.0	-40.32	367.62	2.99	-37.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(CN2C=NC=N2)=C1	REAL300020227654	0	44	-1.0	-58.44	381.71	7.88	-50.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(CN2C=NC=N2)=C1	REAL300020227654	1	44	-1.0	-58.43	381.65	7.86	-50.57
O=C(NC1=CC=CC(CN2C=NC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227655	0	44	-1.0	-50.54	362.78	7.36	-43.18
O=C(NC1=CC=CC(CN2C=NC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227655	1	44	-1.0	-50.56	362.72	7.35	-43.21
O=C(NC1=CC=CC(CN2C=NC=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227656	0	41	-1.0	-57.72	347.38	6.47	-51.25
O=C(NC1=CC=CC(CN2C=NC=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227656	1	41	-1.0	-57.74	347.32	6.45	-51.29
CSCC[C@H](NC(=O)NC1=CC=CC(CN2C=NC=N2)=C1)C1=NN=N[N-]1	REAL300020227657	0	44	-1.0	-50.99	390.90	6.43	-44.56
CSCC[C@H](NC(=O)NC1=CC=CC(CN2C=NC=N2)=C1)C1=N[N-]N=N1	REAL300020227657	1	44	-1.0	-51.02	390.84	6.41	-44.61
O=C(NC1=CC=CC(CN2C=NC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227658	0	41	-1.0	-50.00	348.75	6.52	-43.48
O=C(NC1=CC=CC(CN2C=NC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227658	1	41	-1.0	-49.99	348.68	6.51	-43.48
O=C(NC1=CC=CC(CN2C=NC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227659	0	47	-1.0	-44.32	377.14	7.58	-36.74
O=C(NC1=CC=CC(CN2C=NC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227659	1	47	-1.0	-44.26	377.08	7.56	-36.70
O=C(NC1=CC=CC=C1CN1CCC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300020227660	0	51	-1.0	-53.17	401.64	7.02	-46.15
O=C(NC1=CC=CC=C1CN1CCC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300020227660	1	51	-1.0	-53.20	401.70	7.05	-46.15
O=C(NC1=CC=CC=C1CN1CCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020227661	0	51	-1.0	-44.31	403.00	7.09	-37.22
O=C(NC1=CC=CC=C1CN1CCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020227661	1	51	-1.0	-44.30	403.08	7.10	-37.20
CC(=O)NC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227662	0	42	-1.0	-51.97	372.95	4.29	-47.68
CC(=O)NC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227662	1	42	-1.0	-51.95	372.90	4.27	-47.68
CC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227663	0	42	-1.0	-44.31	355.00	3.82	-40.49
CC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227663	1	42	-1.0	-44.35	355.06	3.84	-40.51
CC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227664	0	39	-1.0	-51.97	339.29	2.94	-49.03
CC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227664	1	39	-1.0	-52.00	339.35	2.96	-49.04
CSCC[C@H](NC(=O)NC1=CC(NC(C)=O)=CC=C1Cl)C1=N[N-]N=N1	REAL300020227665	0	42	-1.0	-45.95	381.66	2.85	-43.10
CSCC[C@H](NC(=O)NC1=CC(NC(C)=O)=CC=C1Cl)C1=NN=N[N-]1	REAL300020227665	1	42	-1.0	-45.95	381.72	2.87	-43.08
CC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227666	0	39	-1.0	-43.66	340.13	2.98	-40.68
CC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227666	1	39	-1.0	-43.64	340.20	2.99	-40.65
CC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227667	0	45	-1.0	-52.37	363.19	4.70	-47.67
CC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227667	1	45	-1.0	-52.39	363.23	4.70	-47.69
CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020227668	0	42	-1.0	-50.90	371.70	3.64	-47.26
CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020227668	1	42	-1.0	-50.87	371.64	3.61	-47.26
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020227669	0	42	-1.0	-46.48	352.91	3.09	-43.39
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020227669	1	42	-1.0	-46.46	352.97	3.11	-43.35
CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020227670	0	39	-1.0	-53.16	337.67	2.16	-51.00
CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020227670	1	39	-1.0	-53.14	337.73	2.18	-50.96
CNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020227671	0	42	-1.0	-53.87	381.17	2.13	-51.74
CNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020227671	1	42	-1.0	-53.86	381.23	2.15	-51.71
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020227672	0	39	-1.0	-45.65	339.04	2.23	-43.42
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020227672	1	39	-1.0	-45.65	339.12	2.23	-43.42
CNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020227673	0	45	-1.0	-44.06	367.33	3.29	-40.77
CNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020227673	1	45	-1.0	-44.10	367.38	3.30	-40.80
O=C(NC1=CC=CC=C1COC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227674	0	49	-1.0	-43.80	389.55	7.82	-35.98
O=C(NC1=CC=CC=C1COC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227674	1	49	-1.0	-43.80	389.60	7.84	-35.96
O=C(NC1=CC=CC=C1COC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227675	0	46	-1.0	-53.31	374.85	6.88	-46.43
O=C(NC1=CC=CC=C1COC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227675	1	46	-1.0	-53.35	374.91	6.91	-46.44
CSCC[C@H](NC(=O)NC1=CC=CC=C1COC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020227676	0	49	-1.0	-47.76	418.36	6.85	-40.91
CSCC[C@H](NC(=O)NC1=CC=CC=C1COC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020227676	1	49	-1.0	-47.77	418.42	6.87	-40.90
O=C(NC1=CC=CC=C1COC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227677	0	46	-1.0	-44.33	377.05	6.96	-37.37
O=C(NC1=CC=CC=C1COC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227677	1	46	-1.0	-44.28	377.12	6.98	-37.30
O=C(NC1=CC=CC=C1COC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227678	0	52	-1.0	-43.62	399.05	7.95	-35.67
O=C(NC1=CC=CC=C1COC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227678	1	52	-1.0	-43.59	399.12	7.96	-35.63
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020227679	0	48	-1.0	-44.61	394.46	6.73	-37.88
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020227679	1	48	-1.0	-44.57	394.40	6.71	-37.86
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020227680	0	48	-1.0	-43.13	373.76	6.18	-36.95
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020227680	1	48	-1.0	-43.16	373.82	6.20	-36.96
CCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020227681	0	45	-1.0	-55.34	359.00	5.28	-50.06
CCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020227681	1	45	-1.0	-55.31	359.06	5.30	-50.01
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020227682	0	48	-1.0	-46.57	403.65	5.27	-41.30
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020227682	1	48	-1.0	-46.57	403.71	5.28	-41.29
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020227683	0	45	-1.0	-43.90	360.51	5.32	-38.58
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020227683	1	45	-1.0	-43.97	360.59	5.33	-38.64
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020227684	0	51	-1.0	-50.44	382.95	7.15	-43.29
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020227684	1	51	-1.0	-50.47	383.00	7.15	-43.32
CCCCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227685	0	48	-1.0	-41.74	395.57	6.72	-35.02
CCCCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227685	1	48	-1.0	-41.72	395.52	6.69	-35.03
CCCCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227686	0	48	-1.0	-43.70	376.78	6.23	-37.47
CCCCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227686	1	48	-1.0	-43.70	376.84	6.24	-37.46
CCCCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227687	0	45	-1.0	-53.63	361.35	5.32	-48.31
CCCCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227687	1	45	-1.0	-53.62	361.41	5.33	-48.29
CCCCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227688	0	48	-1.0	-47.46	404.87	5.28	-42.18
CCCCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227688	1	48	-1.0	-47.51	404.93	5.29	-42.22
CCCCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227689	0	45	-1.0	-43.38	362.71	5.37	-38.01
CCCCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227689	1	45	-1.0	-43.36	362.78	5.39	-37.97
CCCCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227690	0	51	-1.0	-44.19	389.03	6.46	-37.73
CCCCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227690	1	51	-1.0	-44.14	389.08	6.47	-37.67
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227691	0	57	0.0	-68.70	425.35	8.96	-59.74
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227691	1	57	0.0	-68.70	425.41	8.98	-59.72
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227692	0	54	0.0	-75.92	411.23	8.01	-67.91
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227692	1	54	0.0	-75.88	411.29	8.02	-67.86
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227693	0	54	0.0	-70.00	412.61	8.04	-61.96
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227693	1	54	0.0	-70.01	412.69	8.06	-61.95
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227694	0	60	0.0	-63.08	434.52	9.83	-53.25
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227694	1	60	0.0	-63.07	434.57	9.84	-53.23
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020227695	0	44	-1.0	-43.58	373.37	6.24	-37.34
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020227695	1	44	-1.0	-43.57	373.42	6.25	-37.32
CCOC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020227696	0	41	-1.0	-58.26	357.69	5.37	-52.89
CCOC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020227696	1	41	-1.0	-58.28	357.75	5.39	-52.89
CCOC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Cl	REAL300020227697	0	44	-1.0	-51.67	401.50	5.30	-46.37
CCOC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Cl	REAL300020227697	1	44	-1.0	-51.73	401.55	5.32	-46.41
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020227698	0	41	-1.0	-47.81	359.32	5.40	-42.41
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020227698	1	41	-1.0	-47.81	359.39	5.40	-42.41
CCOC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020227699	0	47	-1.0	-39.60	385.77	6.43	-33.17
CCOC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020227699	1	47	-1.0	-39.65	385.81	6.44	-33.21
CC(C)(C)C1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020227700	0	41	-2.0	-94.11	363.83	3.58	-90.53
CC(C)(C)C1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020227700	1	41	-2.0	-94.10	363.77	3.55	-90.55
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020227701	0	41	-2.0	-96.42	346.87	3.45	-92.97
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020227701	1	41	-2.0	-96.43	346.81	3.44	-92.99
CC(C)(C)C1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020227702	0	38	-2.0	-120.48	330.99	2.32	-118.16
CC(C)(C)C1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020227702	1	38	-2.0	-120.49	331.04	2.34	-118.15
CSCC[C@H](NC(=O)[N-]C1=NN=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL300020227703	0	41	-2.0	-109.83	372.76	2.14	-107.69
CSCC[C@H](NC(=O)[N-]C1=NN=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL300020227703	1	41	-2.0	-109.85	372.82	2.15	-107.70
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020227704	0	38	-2.0	-98.26	331.81	2.38	-95.88
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020227704	1	38	-2.0	-98.29	331.73	2.37	-95.92
CC(C)(C)C1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020227705	0	44	-2.0	-117.10	355.44	4.42	-112.68
CC(C)(C)C1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020227705	1	44	-2.0	-117.02	355.39	4.42	-112.60
O=C(NC1=CC=C(CCN2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227706	0	54	-1.0	-44.86	414.10	4.28	-40.58
O=C(NC1=CC=C(CCN2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227706	1	54	-1.0	-44.86	414.16	4.29	-40.57
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227706	1	55	0.0	-71.82	417.65	6.51	-65.31
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227706	1	55	0.0	-71.81	417.71	6.52	-65.29
O=C(NC1=CC=C(CCN2CCOCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227707	0	51	-1.0	-54.98	399.98	3.30	-51.68
O=C(NC1=CC=C(CCN2CCOCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227707	1	51	-1.0	-54.93	400.04	3.32	-51.61
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227707	1	52	0.0	-78.76	402.50	5.56	-73.20
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227707	1	52	0.0	-78.79	402.56	5.58	-73.21
O=C(NC1=CC=C(CCN2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227708	0	51	-1.0	-45.26	401.35	3.36	-41.90
O=C(NC1=CC=C(CCN2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227708	1	51	-1.0	-45.23	401.42	3.36	-41.87
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227708	1	52	0.0	-72.92	403.91	5.62	-67.30
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227708	1	52	0.0	-72.97	403.98	5.63	-67.34
O=C(NC1=CC=C(CCN2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227709	0	57	-1.0	-50.89	423.27	5.14	-45.75
O=C(NC1=CC=C(CCN2CCOCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227709	1	57	-1.0	-50.89	423.32	5.14	-45.75
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227709	1	58	0.0	-69.53	426.47	7.50	-62.03
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227709	1	58	0.0	-69.51	426.52	7.50	-62.01
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020227710	0	42	-1.0	-54.02	352.74	4.83	-49.19
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020227710	1	42	-1.0	-54.02	352.68	4.80	-49.22
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020227711	0	42	-1.0	-44.20	333.81	4.31	-39.89
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020227711	1	42	-1.0	-44.21	333.87	4.32	-39.89
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020227712	0	39	-1.0	-55.76	318.18	3.42	-52.34
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020227712	1	39	-1.0	-55.77	318.24	3.43	-52.34
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020227713	0	42	-1.0	-48.05	361.59	3.40	-44.65
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020227713	1	42	-1.0	-48.05	361.64	3.41	-44.64
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020227714	0	39	-1.0	-44.36	319.72	3.46	-40.90
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020227714	1	39	-1.0	-44.38	319.79	3.47	-40.91
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020227715	0	45	-1.0	-41.81	346.18	4.51	-37.30
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020227715	1	45	-1.0	-41.77	346.22	4.51	-37.26
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227716	0	49	-1.0	-46.19	394.22	7.60	-38.59
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227716	1	49	-1.0	-46.21	394.27	7.61	-38.60
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227717	0	46	-1.0	-53.73	380.08	6.64	-47.09
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227717	1	46	-1.0	-53.75	380.14	6.66	-47.09
CSCC[C@H](NC(=O)NC1=CC=CC(COC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020227718	0	49	-1.0	-47.32	423.31	6.64	-40.68
CSCC[C@H](NC(=O)NC1=CC=CC(COC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020227718	1	49	-1.0	-47.32	423.37	6.66	-40.66
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227719	0	46	-1.0	-47.74	381.41	6.70	-41.04
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227719	1	46	-1.0	-47.73	381.49	6.71	-41.02
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227720	0	52	-1.0	-49.62	403.43	8.45	-41.17
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227720	1	52	-1.0	-49.60	403.49	8.47	-41.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1CN1C=NC=N1	REAL300020227721	0	44	-1.0	-50.88	376.22	8.33	-42.55
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1CN1C=NC=N1	REAL300020227721	1	44	-1.0	-50.89	376.16	8.31	-42.58
O=C(NC1=CC=CC=C1CN1C=NC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227722	0	44	-1.0	-47.80	356.40	7.75	-40.05
O=C(NC1=CC=CC=C1CN1C=NC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227722	1	44	-1.0	-47.82	356.34	7.74	-40.08
O=C(NC1=CC=CC=C1CN1C=NC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020227723	0	41	-1.0	-57.78	341.44	6.82	-50.96
O=C(NC1=CC=CC=C1CN1C=NC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020227723	1	41	-1.0	-57.78	341.39	6.79	-50.99
CSCC[C@H](NC(=O)NC1=CC=CC=C1CN1C=NC=N1)C1=NN=N[N-]1	REAL300020227724	0	44	-1.0	-50.76	385.52	6.87	-43.89
CSCC[C@H](NC(=O)NC1=CC=CC=C1CN1C=NC=N1)C1=N[N-]N=N1	REAL300020227724	1	44	-1.0	-50.77	385.46	6.85	-43.92
O=C(NC1=CC=CC=C1CN1C=NC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227725	0	41	-1.0	-49.36	342.82	6.86	-42.50
O=C(NC1=CC=CC=C1CN1C=NC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227725	1	41	-1.0	-49.40	342.74	6.84	-42.56
O=C(NC1=CC=CC=C1CN1C=NC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227726	0	47	-1.0	-54.09	365.26	8.71	-45.38
O=C(NC1=CC=CC=C1CN1C=NC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227726	1	47	-1.0	-54.09	365.21	8.71	-45.38
COC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227727	0	39	-1.0	-44.51	334.32	4.30	-40.21
COC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227727	1	39	-1.0	-44.51	334.38	4.32	-40.19
COC1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227728	0	36	-1.0	-54.12	317.79	3.41	-50.71
COC1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227728	1	36	-1.0	-54.10	317.85	3.43	-50.67
COC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227729	0	36	-1.0	-44.55	319.98	3.46	-41.09
COC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227729	1	36	-1.0	-44.47	320.06	3.48	-40.99
COC1=CC=C(Br)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227730	0	42	-1.0	-43.21	347.92	4.51	-38.70
COC1=CC=C(Br)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227730	1	42	-1.0	-43.20	347.97	4.53	-38.67
CC1=CSC(SC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020227731	0	42	-1.0	-53.57	376.82	5.17	-48.40
CC1=CSC(SC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020227731	1	42	-1.0	-53.60	376.88	5.19	-48.41
CC1=CSC(SC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020227732	0	42	-1.0	-45.55	378.36	5.23	-40.32
CC1=CSC(SC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020227732	1	42	-1.0	-45.55	378.44	5.23	-40.32
COC1=CC(Br)=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227733	0	42	-1.0	-44.96	353.25	6.41	-38.55
COC1=CC(Br)=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227733	1	42	-1.0	-45.00	353.31	6.42	-38.58
COC1=CC(Br)=CC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227734	0	39	-1.0	-53.58	343.03	4.31	-49.27
COC1=CC(Br)=CC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227734	1	39	-1.0	-53.58	343.09	4.33	-49.25
COC1=CC(Br)=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227735	0	39	-1.0	-45.00	344.41	4.37	-40.63
COC1=CC(Br)=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227735	1	39	-1.0	-44.98	344.48	4.38	-40.60
O=C(NC1=CC=C(OCC2=CC=CC=C2Cl)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227736	0	46	-1.0	-54.08	393.20	7.22	-46.86
O=C(NC1=CC=C(OCC2=CC=CC=C2Cl)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227736	1	46	-1.0	-54.11	393.26	7.24	-46.87
O=C(NC1=CC=C(OCC2=CC=CC=C2Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227737	0	46	-1.0	-45.16	394.57	7.28	-37.88
O=C(NC1=CC=C(OCC2=CC=CC=C2Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227737	1	46	-1.0	-45.18	394.64	7.29	-37.89
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC	REAL300020227738	0	47	-1.0	-56.49	392.18	0.33	-56.16
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC	REAL300020227738	1	47	-1.0	-56.53	392.24	0.35	-56.18
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020227739	0	47	-1.0	-49.15	393.54	0.39	-48.76
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020227739	1	47	-1.0	-49.17	393.62	0.39	-48.78
O=C([N-]C1=NN=C(C2=CSC=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227740	0	36	-2.0	-92.49	352.97	3.82	-88.67
O=C([N-]C1=NN=C(C2=CSC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227740	1	36	-2.0	-92.47	352.91	3.80	-88.67
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227741	0	36	-2.0	-94.90	335.92	3.67	-91.23
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227741	1	36	-2.0	-94.87	335.98	3.69	-91.18
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020227742	0	33	-2.0	-118.70	320.13	2.56	-116.14
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020227742	1	33	-2.0	-118.70	320.19	2.59	-116.11
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C1=N[N-]N=N1	REAL300020227743	0	36	-2.0	-107.99	361.90	2.38	-105.61
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C1=NN=N[N-]1	REAL300020227743	1	36	-2.0	-107.99	361.96	2.40	-105.59
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227744	0	33	-2.0	-96.45	320.88	2.61	-93.84
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227744	1	33	-2.0	-96.47	320.95	2.63	-93.84
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227745	0	39	-2.0	-116.17	344.45	4.55	-111.62
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227745	1	39	-2.0	-116.16	344.50	4.56	-111.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(N2CCOC2=O)=CC=C1F	REAL300020227746	0	44	-1.0	-64.23	377.37	4.98	-59.25
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(N2CCOC2=O)=CC=C1F	REAL300020227746	1	44	-1.0	-64.23	377.42	5.01	-59.22
O=C(NC1=CC(N2CCOC2=O)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227747	0	44	-1.0	-60.16	358.81	4.45	-55.71
O=C(NC1=CC(N2CCOC2=O)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227747	1	44	-1.0	-60.13	358.87	4.47	-55.66
O=C(NC1=CC(N2CCOC2=O)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020227748	0	41	-1.0	-71.52	342.27	3.57	-67.95
O=C(NC1=CC(N2CCOC2=O)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020227748	1	41	-1.0	-71.52	342.33	3.58	-67.94
CSCC[C@H](NC(=O)NC1=CC(N2CCOC2=O)=CC=C1F)C1=N[N-]N=N1	REAL300020227749	0	44	-1.0	-68.44	385.79	3.52	-64.92
CSCC[C@H](NC(=O)NC1=CC(N2CCOC2=O)=CC=C1F)C1=NN=N[N-]1	REAL300020227749	1	44	-1.0	-68.43	385.85	3.54	-64.89
O=C(NC1=CC(N2CCOC2=O)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020227750	0	41	-1.0	-60.01	343.66	3.62	-56.39
O=C(NC1=CC(N2CCOC2=O)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020227750	1	41	-1.0	-60.02	343.73	3.63	-56.39
O=C(NC1=CC(N2CCOC2=O)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020227751	0	47	-1.0	-64.54	366.35	5.35	-59.19
O=C(NC1=CC(N2CCOC2=O)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020227751	1	47	-1.0	-64.57	366.41	5.36	-59.21
CCOC(=O)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020227752	0	49	-1.0	-57.16	415.36	6.16	-51.00
CCOC(=O)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020227752	1	49	-1.0	-57.19	415.42	6.18	-51.01
CCOC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227753	0	49	-1.0	-46.64	396.98	5.71	-40.93
CCOC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227753	1	49	-1.0	-46.61	397.03	5.73	-40.88
CCOC(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227754	0	46	-1.0	-57.12	380.41	4.78	-52.34
CCOC(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227754	1	46	-1.0	-57.16	380.47	4.80	-52.36
CCOC(=O)N(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020227755	0	49	-1.0	-49.81	424.77	4.79	-45.02
CCOC(=O)N(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020227755	1	49	-1.0	-49.82	424.83	4.81	-45.01
CCOC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227756	0	46	-1.0	-50.89	383.21	4.84	-46.05
CCOC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227756	1	46	-1.0	-50.91	383.29	4.85	-46.06
CCOC(=O)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227757	0	52	-1.0	-58.91	404.74	6.61	-52.30
CCOC(=O)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227757	1	52	-1.0	-58.95	404.79	6.62	-52.33
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(C(F)(F)F)=CNC1=O	REAL300020227758	0	38	-1.0	-57.24	347.61	3.71	-53.53
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(C(F)(F)F)=CNC1=O	REAL300020227758	1	38	-1.0	-57.25	347.67	3.74	-53.51
O=C(NC1=CC(C(F)(F)F)=CNC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227759	0	38	-1.0	-55.10	328.94	3.07	-52.03
O=C(NC1=CC(C(F)(F)F)=CNC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227759	1	38	-1.0	-55.08	328.99	3.08	-52.00
O=C(NC1=CC(C(F)(F)F)=CNC1=O)N1CCCC1C1=N[N-]N=N1	REAL300020227760	0	35	-1.0	-61.61	313.75	2.05	-59.56
O=C(NC1=CC(C(F)(F)F)=CNC1=O)N1CCCC1C1=NN=N[N-]1	REAL300020227760	1	35	-1.0	-61.64	313.80	2.07	-59.57
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=CNC1=O)C1=N[N-]N=N1	REAL300020227761	0	38	-1.0	-54.67	356.79	2.36	-52.31
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=CNC1=O)C1=NN=N[N-]1	REAL300020227761	1	38	-1.0	-54.69	356.85	2.38	-52.31
O=C(NC1=CC(C(F)(F)F)=CNC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227762	0	35	-1.0	-53.58	314.67	2.44	-51.14
O=C(NC1=CC(C(F)(F)F)=CNC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227762	1	35	-1.0	-53.61	314.74	2.45	-51.16
O=C(NC1=CC(C(F)(F)F)=CNC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227763	0	41	-1.0	-55.43	335.72	4.07	-51.36
O=C(NC1=CC(C(F)(F)F)=CNC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227763	1	41	-1.0	-55.46	335.74	4.10	-51.36
O=C(NC1=CC=C(OC2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227764	0	45	-1.0	-43.49	388.82	5.11	-38.38
O=C(NC1=CC=C(OC2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227764	1	45	-1.0	-43.45	388.77	5.09	-38.36
O=C(NC1=CC=C(OC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227765	0	45	-1.0	-45.26	370.51	4.68	-40.58
O=C(NC1=CC=C(OC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227765	1	45	-1.0	-45.19	370.45	4.67	-40.52
O=C(NC1=CC=C(OC2=CC=CC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227766	0	42	-1.0	-54.76	354.13	3.82	-50.94
O=C(NC1=CC=C(OC2=CC=CC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227766	1	42	-1.0	-54.77	354.08	3.80	-50.97
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020227767	0	45	-1.0	-47.12	397.83	3.76	-43.36
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020227767	1	45	-1.0	-47.12	397.78	3.74	-43.38
O=C(NC1=CC=C(OC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227768	0	42	-1.0	-44.83	355.71	3.86	-40.97
O=C(NC1=CC=C(OC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227768	1	42	-1.0	-44.86	355.64	3.85	-41.01
O=C(NC1=CC=C(OC2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227769	0	48	-1.0	-43.36	379.20	4.93	-38.43
O=C(NC1=CC=C(OC2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227769	1	48	-1.0	-43.34	379.14	4.93	-38.41
CC1=CC=CC(C)=C1OC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227770	0	52	-1.0	-43.55	412.42	8.69	-34.86
CC1=CC=CC(C)=C1OC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227770	1	52	-1.0	-43.56	412.48	8.70	-34.86
CC1=CC=CC(C)=C1OC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227771	0	49	-1.0	-54.88	396.98	7.77	-47.11
CC1=CC=CC(C)=C1OC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227771	1	49	-1.0	-54.87	397.04	7.79	-47.08
CC1=CC=CC(C)=C1OC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227772	0	49	-1.0	-43.53	397.67	7.82	-35.71
CC1=CC=CC(C)=C1OC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227772	1	49	-1.0	-43.53	397.74	7.84	-35.69
COCCCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227773	0	49	-1.0	-43.84	407.75	5.01	-38.83
COCCCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227773	1	49	-1.0	-43.85	407.69	4.98	-38.87
COCCCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227774	0	49	-1.0	-45.59	388.96	4.52	-41.07
COCCCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227774	1	49	-1.0	-45.63	389.01	4.53	-41.10
COCCCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227775	0	46	-1.0	-55.57	373.53	3.61	-51.96
COCCCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227775	1	46	-1.0	-55.58	373.59	3.62	-51.96
COCCCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227776	0	49	-1.0	-49.35	417.05	3.56	-45.79
COCCCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227776	1	49	-1.0	-49.35	417.11	3.57	-45.78
COCCCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227777	0	46	-1.0	-45.28	374.89	3.66	-41.62
COCCCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227777	1	46	-1.0	-45.28	374.96	3.67	-41.61
COCCCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227778	0	52	-1.0	-46.15	401.20	4.75	-41.40
COCCCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227778	1	52	-1.0	-46.15	401.26	4.76	-41.39
CCCCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227779	0	48	-1.0	-45.11	397.68	6.56	-38.55
CCCCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227779	1	48	-1.0	-45.11	397.62	6.54	-38.57
CCCCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227780	0	48	-1.0	-43.47	377.26	6.14	-37.33
CCCCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227780	1	48	-1.0	-43.52	377.32	6.16	-37.36
CCCCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227781	0	45	-1.0	-61.47	362.85	5.20	-56.27
CCCCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227781	1	45	-1.0	-61.48	362.91	5.21	-56.27
CCCCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020227782	0	48	-1.0	-54.01	406.63	5.13	-48.88
CCCCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020227782	1	48	-1.0	-54.00	406.69	5.14	-48.86
CCCCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227783	0	45	-1.0	-48.11	364.49	5.23	-42.88
CCCCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227783	1	45	-1.0	-48.11	364.57	5.23	-42.88
CCCCOC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227784	0	51	-1.0	-43.63	392.88	6.28	-37.35
CCCCOC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227784	1	51	-1.0	-43.65	392.93	6.30	-37.35
CCOC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227785	0	52	-1.0	-46.32	403.94	4.32	-42.00
CCOC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227785	1	52	-1.0	-46.33	404.00	4.33	-42.00
CCOC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227786	0	49	-1.0	-54.73	389.28	3.58	-51.15
CCOC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227786	1	49	-1.0	-54.76	389.34	3.60	-51.16
CCOC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227787	0	49	-1.0	-49.69	391.13	3.63	-46.06
CCOC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227787	1	49	-1.0	-49.75	391.20	3.64	-46.11
O=C(NC1=CC(N2CCCS2(=O)=O)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020227788	0	44	-1.0	-60.93	371.03	2.08	-58.85
O=C(NC1=CC(N2CCCS2(=O)=O)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020227788	1	44	-1.0	-60.93	371.09	2.10	-58.83
O=C(NC1=CC(N2CCCS2(=O)=O)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020227789	0	44	-1.0	-50.07	371.57	2.05	-48.02
O=C(NC1=CC(N2CCCS2(=O)=O)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020227789	1	44	-1.0	-50.06	371.65	2.06	-48.00
CC1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC1	REAL300020227790	0	55	-1.0	-49.25	418.53	6.81	-42.44
CC1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020227790	1	55	-1.0	-49.27	418.59	6.82	-42.45
CC1CCN(C(=O)C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020227791	0	52	-1.0	-63.97	402.54	5.87	-58.10
CC1CCN(C(=O)C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020227791	1	52	-1.0	-63.99	402.59	5.88	-58.11
CC1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020227792	0	52	-1.0	-44.84	404.10	5.95	-38.89
CC1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020227792	1	52	-1.0	-44.85	404.17	5.95	-38.90
CCCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020227793	0	51	-1.0	-44.49	415.96	7.52	-36.97
CCCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020227793	1	51	-1.0	-44.48	415.90	7.49	-36.99
CCCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020227794	0	51	-1.0	-43.00	395.26	6.97	-36.03
CCCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020227794	1	51	-1.0	-43.02	395.31	6.98	-36.04
CCCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020227795	0	48	-1.0	-55.23	380.49	6.06	-49.17
CCCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020227795	1	48	-1.0	-55.27	380.55	6.08	-49.19
CCCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020227796	0	51	-1.0	-46.54	425.15	6.05	-40.49
CCCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020227796	1	51	-1.0	-46.53	425.21	6.06	-40.47
CCCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020227797	0	48	-1.0	-43.80	382.01	6.10	-37.70
CCCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020227797	1	48	-1.0	-43.82	382.09	6.12	-37.70
CCCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020227798	0	54	-1.0	-50.29	404.45	7.93	-42.36
CCCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020227798	1	54	-1.0	-50.30	404.50	7.94	-42.36
O=C(NC1=CC=CC=C1OC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227799	0	46	-1.0	-43.66	377.44	7.29	-36.37
O=C(NC1=CC=CC=C1OC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227799	1	46	-1.0	-43.66	377.50	7.31	-36.35
O=C(NC1=CC=CC=C1OC1=CC=CC(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227800	0	43	-1.0	-51.25	364.07	6.38	-44.87
O=C(NC1=CC=CC=C1OC1=CC=CC(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227800	1	43	-1.0	-51.27	364.13	6.40	-44.87
O=C(NC1=CC=CC=C1OC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227801	0	43	-1.0	-41.76	365.49	6.44	-35.32
O=C(NC1=CC=CC=C1OC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227801	1	43	-1.0	-41.76	365.56	6.45	-35.31
O=C(NC1=CC=CC=C1OC1=CC=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227802	0	49	-1.0	-46.52	385.76	8.24	-38.28
O=C(NC1=CC=CC=C1OC1=CC=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227802	1	49	-1.0	-46.49	385.80	8.26	-38.23
COCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020227803	0	46	-1.0	-49.35	385.06	4.33	-45.02
COCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020227803	1	46	-1.0	-49.37	385.12	4.34	-45.03
COCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020227804	0	43	-1.0	-62.08	369.49	3.44	-58.64
COCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020227804	1	43	-1.0	-62.11	369.54	3.45	-58.66
COCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020227805	0	43	-1.0	-49.56	370.89	3.50	-46.06
COCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020227805	1	43	-1.0	-49.55	370.97	3.50	-46.05
COCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020227806	0	49	-1.0	-42.75	399.55	4.51	-38.24
COCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020227806	1	49	-1.0	-42.77	399.60	4.53	-38.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2=NC=CS2)=C1	REAL300020227807	0	41	-1.0	-63.18	367.68	5.67	-57.51
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2=NC=CS2)=C1	REAL300020227807	1	41	-1.0	-63.15	367.63	5.65	-57.50
O=C(NC1=CC=CC(C2=NC=CS2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227808	0	41	-1.0	-51.73	348.76	5.19	-46.54
O=C(NC1=CC=CC(C2=NC=CS2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227808	1	41	-1.0	-51.71	348.70	5.17	-46.54
O=C(NC1=CC=CC(C2=NC=CS2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227809	0	38	-1.0	-60.97	333.33	4.26	-56.71
O=C(NC1=CC=CC(C2=NC=CS2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227809	1	38	-1.0	-60.93	333.27	4.24	-56.69
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC=CS2)=C1)C1=NN=N[N-]1	REAL300020227810	0	41	-1.0	-58.44	376.86	4.22	-54.22
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC=CS2)=C1)C1=N[N-]N=N1	REAL300020227810	1	41	-1.0	-58.43	376.80	4.20	-54.23
O=C(NC1=CC=CC(C2=NC=CS2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227811	0	38	-1.0	-51.13	334.44	4.33	-46.80
O=C(NC1=CC=CC(C2=NC=CS2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227811	1	38	-1.0	-51.18	334.36	4.32	-46.86
O=C(NC1=CC=CC(C2=NC=CS2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227812	0	44	-1.0	-45.91	363.06	5.38	-40.53
O=C(NC1=CC=CC(C2=NC=CS2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227812	1	44	-1.0	-45.93	363.01	5.35	-40.58
O=C(NC1=CC=C(OC(F)F)C2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227813	0	44	-1.0	-50.03	359.75	4.45	-45.58
O=C(NC1=CC=C(OC(F)F)C2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227813	1	44	-1.0	-50.01	359.69	4.43	-45.58
O=C(NC1=CC=C(OC(F)F)C2=NC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300020227814	0	41	-1.0	-59.83	345.19	3.54	-56.29
O=C(NC1=CC=C(OC(F)F)C2=NC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300020227814	1	41	-1.0	-59.78	345.13	3.51	-56.27
O=C(NC1=CC=C(OC(F)F)C2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020227815	0	41	-1.0	-50.57	347.54	3.61	-46.96
O=C(NC1=CC=C(OC(F)F)C2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020227815	1	41	-1.0	-50.54	347.47	3.59	-46.95
O=C(NC1=CC=C(N2CCOC2=O)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227816	0	44	-1.0	-54.48	372.03	4.82	-49.66
O=C(NC1=CC=C(N2CCOC2=O)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227816	1	44	-1.0	-54.50	371.98	4.79	-49.71
O=C(NC1=CC=C(N2CCOC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227817	0	44	-1.0	-50.27	352.62	4.37	-45.90
O=C(NC1=CC=C(N2CCOC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227817	1	44	-1.0	-50.26	352.68	4.38	-45.88
O=C(NC1=CC=C(N2CCOC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227818	0	41	-1.0	-66.81	337.49	3.42	-63.39
O=C(NC1=CC=C(N2CCOC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227818	1	41	-1.0	-66.82	337.55	3.44	-63.38
CSCC[C@H](NC(=O)NC1=CC=C(N2CCOC2=O)C=C1)C1=N[N-]N=N1	REAL300020227819	0	44	-1.0	-52.32	380.74	3.41	-48.91
CSCC[C@H](NC(=O)NC1=CC=C(N2CCOC2=O)C=C1)C1=NN=N[N-]1	REAL300020227819	1	44	-1.0	-52.34	380.80	3.43	-48.91
O=C(NC1=CC=C(N2CCOC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227820	0	41	-1.0	-57.96	338.84	3.48	-54.48
O=C(NC1=CC=C(N2CCOC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227820	1	41	-1.0	-58.01	338.91	3.49	-54.52
O=C(NC1=CC=C(N2CCOC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227821	0	47	-1.0	-49.02	365.29	4.52	-44.50
O=C(NC1=CC=C(N2CCOC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227821	1	47	-1.0	-49.02	365.34	4.53	-44.49
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227822	0	51	-1.0	-46.21	419.96	5.65	-40.56
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227822	1	51	-1.0	-46.23	420.02	5.67	-40.56
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227823	0	51	-1.0	-45.49	400.99	5.14	-40.35
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227823	1	51	-1.0	-45.51	401.05	5.15	-40.36
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227824	0	48	-1.0	-54.19	384.55	4.20	-49.99
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227824	1	48	-1.0	-54.20	384.61	4.23	-49.97
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)NC(C)C)C=C1C)C1=N[N-]N=N1	REAL300020227825	0	51	-1.0	-48.31	429.21	4.20	-44.11
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)NC(C)C)C=C1C)C1=NN=N[N-]1	REAL300020227825	1	51	-1.0	-48.30	429.27	4.21	-44.09
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227826	0	48	-1.0	-45.48	386.07	4.24	-41.24
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227826	1	48	-1.0	-45.46	386.14	4.25	-41.21
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227827	0	54	-1.0	-50.86	408.53	6.08	-44.78
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227827	1	54	-1.0	-50.85	408.57	6.08	-44.77
CCN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC1=O	REAL300020227828	0	41	-1.0	-54.33	352.78	4.56	-49.77
CCN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC1=O	REAL300020227828	1	41	-1.0	-54.32	352.73	4.54	-49.78
CCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC1=O	REAL300020227829	0	41	-1.0	-49.17	328.47	3.81	-45.36
CCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC1=O	REAL300020227829	1	41	-1.0	-49.21	328.53	3.83	-45.38
CCN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC1=O	REAL300020227830	0	38	-1.0	-60.00	318.17	3.12	-56.88
CCN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC1=O	REAL300020227830	1	38	-1.0	-60.01	318.22	3.14	-56.87
CCN1C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CC1=O	REAL300020227831	0	41	-1.0	-53.52	361.76	3.09	-50.43
CCN1C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CC1=O	REAL300020227831	1	41	-1.0	-53.58	361.82	3.10	-50.48
CCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300020227832	0	38	-1.0	-49.44	320.05	3.16	-46.28
CCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300020227832	1	38	-1.0	-49.46	320.12	3.17	-46.29
CCN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC1=O	REAL300020227833	0	44	-1.0	-40.38	343.42	4.18	-36.20
CCN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC1=O	REAL300020227833	1	44	-1.0	-40.40	343.46	4.18	-36.22
CC1=NOC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=N1	REAL300020227834	0	43	-1.0	-47.44	375.78	4.11	-43.33
CC1=NOC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=N1	REAL300020227834	1	43	-1.0	-47.42	375.72	4.09	-43.33
CC1=NOC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300020227835	0	43	-1.0	-48.50	356.40	3.69	-44.81
CC1=NOC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300020227835	1	43	-1.0	-48.50	356.35	3.68	-44.82
CC1=NOC(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020227836	0	40	-1.0	-63.70	341.01	2.77	-60.93
CC1=NOC(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020227836	1	40	-1.0	-63.70	340.95	2.75	-60.95
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC(C)=NO2)=C1)C1=NN=N[N-]1	REAL300020227837	0	43	-1.0	-55.61	384.52	2.72	-52.89
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC(C)=NO2)=C1)C1=N[N-]N=N1	REAL300020227837	1	43	-1.0	-55.58	384.46	2.71	-52.87
CC1=NOC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020227838	0	40	-1.0	-50.66	342.66	2.79	-47.87
CC1=NOC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020227838	1	40	-1.0	-50.64	342.59	2.78	-47.86
CC1=NOC(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020227839	0	46	-1.0	-42.47	371.02	3.85	-38.62
CC1=NOC(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020227839	1	46	-1.0	-42.47	370.97	3.83	-38.64
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OCC(=O)N(C)C)=C1	REAL300020227840	0	52	-1.0	-52.73	411.61	5.91	-46.82
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OCC(=O)N(C)C)=C1	REAL300020227840	1	52	-1.0	-52.76	411.67	5.92	-46.84
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OCC(=O)N(C)C)=C1	REAL300020227841	0	49	-1.0	-63.70	396.19	4.99	-58.71
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OCC(=O)N(C)C)=C1	REAL300020227841	1	49	-1.0	-63.70	396.25	5.01	-58.69
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCC(=O)N(C)C)=C1	REAL300020227842	0	49	-1.0	-53.20	398.77	5.02	-48.18
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCC(=O)N(C)C)=C1	REAL300020227842	1	49	-1.0	-53.21	398.84	5.03	-48.18
CC1=CC(OC2=CC=C(C#N)C=C2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227843	0	47	-1.0	-56.57	395.69	7.47	-49.10
CC1=CC(OC2=CC=C(C#N)C=C2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227843	1	47	-1.0	-56.57	395.74	7.50	-49.07
CC1=CC(OC2=CC=C(C#N)C=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227844	0	47	-1.0	-45.87	397.19	7.52	-38.35
CC1=CC(OC2=CC=C(C#N)C=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227844	1	47	-1.0	-45.90	397.26	7.53	-38.37
O=C(NC1=CC=CC=C1OC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227845	0	46	-1.0	-42.88	388.36	7.79	-35.09
O=C(NC1=CC=CC=C1OC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227845	1	46	-1.0	-42.87	388.42	7.81	-35.06
O=C(NC1=CC=CC=C1OC1=CC=C(Cl)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227846	0	43	-1.0	-52.36	374.39	6.83	-45.53
O=C(NC1=CC=CC=C1OC1=CC=C(Cl)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227846	1	43	-1.0	-52.38	374.45	6.86	-45.52
O=C(NC1=CC=CC=C1OC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227847	0	43	-1.0	-42.45	373.54	6.88	-35.57
O=C(NC1=CC=CC=C1OC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227847	1	43	-1.0	-42.47	373.61	6.90	-35.57
CCCC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020227848	0	51	-1.0	-47.87	416.85	6.38	-41.49
CCCC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020227848	1	51	-1.0	-47.85	416.80	6.36	-41.49
CCCC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020227849	0	51	-1.0	-48.18	394.49	5.78	-42.40
CCCC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020227849	1	51	-1.0	-48.15	394.55	5.79	-42.36
CCCC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020227850	0	48	-1.0	-60.66	381.39	4.94	-55.72
CCCC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020227850	1	48	-1.0	-60.61	381.45	4.95	-55.66
CCCC(=O)NC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020227851	0	51	-1.0	-54.06	425.08	4.90	-49.16
CCCC(=O)NC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020227851	1	51	-1.0	-54.11	425.13	4.92	-49.19
CCCC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020227852	0	48	-1.0	-50.22	382.94	4.98	-45.24
CCCC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020227852	1	48	-1.0	-50.22	383.02	4.99	-45.23
CCCC(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020227853	0	54	-1.0	-57.51	404.04	6.75	-50.76
CCCC(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020227853	1	54	-1.0	-57.52	404.09	6.75	-50.77
O=C([N-]C1=NN=C(C(F)F)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227854	0	32	-2.0	-86.35	316.38	1.96	-84.39
O=C([N-]C1=NN=C(C(F)F)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227854	1	32	-2.0	-86.38	316.43	1.99	-84.39
O=C([N-]C1=NN=C(C(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227855	0	32	-2.0	-90.35	299.02	1.86	-88.49
O=C([N-]C1=NN=C(C(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227855	1	32	-2.0	-90.33	299.08	1.87	-88.46
O=C([N-]C1=NN=C(C(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020227856	0	29	-2.0	-110.35	283.60	0.73	-109.62
O=C([N-]C1=NN=C(C(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020227856	1	29	-2.0	-110.35	283.65	0.76	-109.59
CSCC[C@H](NC(=O)[N-]C1=NN=C(C(F)F)S1)C1=N[N-]N=N1	REAL300020227857	0	32	-2.0	-103.22	324.97	0.57	-102.65
CSCC[C@H](NC(=O)[N-]C1=NN=C(C(F)F)S1)C1=NN=N[N-]1	REAL300020227857	1	32	-2.0	-103.22	325.03	0.58	-102.64
O=C([N-]C1=NN=C(C(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227858	0	29	-2.0	-92.03	283.94	0.81	-91.22
O=C([N-]C1=NN=C(C(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227858	1	29	-2.0	-92.06	284.01	0.82	-91.24
O=C([N-]C1=NN=C(C(F)F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227859	0	35	-2.0	-107.76	307.91	2.71	-105.05
O=C([N-]C1=NN=C(C(F)F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227859	1	35	-2.0	-107.81	307.97	2.73	-105.08
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC1=CC=CN=C1	REAL300020227860	0	48	-1.0	-46.24	388.76	6.11	-40.13
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC1=CC=CN=C1	REAL300020227860	1	48	-1.0	-46.26	388.70	6.09	-40.17
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC1=CC=CN=C1	REAL300020227861	0	45	-1.0	-54.04	371.93	5.21	-48.83
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC1=CC=CN=C1	REAL300020227861	1	45	-1.0	-54.03	371.87	5.19	-48.84
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CN=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020227862	0	48	-1.0	-49.94	415.61	5.17	-44.77
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CN=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020227862	1	48	-1.0	-49.97	415.55	5.15	-44.82
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC1=CC=CN=C1	REAL300020227863	0	45	-1.0	-46.02	372.86	5.22	-40.80
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC1=CC=CN=C1	REAL300020227863	1	45	-1.0	-46.02	372.79	5.21	-40.81
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC1=CC=CN=C1	REAL300020227864	0	51	-1.0	-45.13	402.86	6.19	-38.94
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC1=CC=CN=C1	REAL300020227864	1	51	-1.0	-45.12	402.81	6.19	-38.93
CC(C)OCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020227865	0	48	-1.0	-55.00	400.51	6.21	-48.79
CC(C)OCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020227865	1	48	-1.0	-55.00	400.45	6.18	-48.82
CC(C)OCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227866	0	48	-1.0	-44.91	381.46	5.73	-39.18
CC(C)OCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227866	1	48	-1.0	-44.95	381.51	5.75	-39.20
CC(C)OCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227867	0	45	-1.0	-53.59	365.94	4.81	-48.78
CC(C)OCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227867	1	45	-1.0	-53.62	366.00	4.83	-48.79
CSCC[C@H](NC(=O)NC1=CC=C(COC(C)C)C=C1)C1=N[N-]N=N1	REAL300020227868	0	48	-1.0	-49.66	409.48	4.78	-44.88
CSCC[C@H](NC(=O)NC1=CC=C(COC(C)C)C=C1)C1=NN=N[N-]1	REAL300020227868	1	48	-1.0	-49.65	409.53	4.79	-44.86
CC(C)OCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227869	0	45	-1.0	-44.67	367.06	4.90	-39.77
CC(C)OCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227869	1	45	-1.0	-44.68	367.14	4.91	-39.77
CC(C)OCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227870	0	51	-1.0	-52.21	389.24	6.65	-45.56
CC(C)OCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227870	1	51	-1.0	-52.22	389.29	6.66	-45.56
CCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227871	0	45	-1.0	-45.11	372.09	5.68	-39.43
CCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227871	1	45	-1.0	-45.07	372.15	5.70	-39.37
CCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227872	0	42	-1.0	-57.28	357.87	4.74	-52.54
CCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227872	1	42	-1.0	-57.28	357.93	4.75	-52.53
CCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227873	0	42	-1.0	-45.33	358.43	4.78	-40.55
CCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227873	1	42	-1.0	-45.35	358.50	4.80	-40.55
CCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227874	0	48	-1.0	-50.91	381.38	6.51	-44.40
CCOC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227874	1	48	-1.0	-50.88	381.44	6.52	-44.36
COCCOC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227875	0	50	-1.0	-47.96	406.72	2.63	-45.33
COCCOC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227875	1	50	-1.0	-47.93	406.78	2.65	-45.28
COCCOC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227876	0	47	-1.0	-58.80	391.42	1.72	-57.08
COCCOC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227876	1	47	-1.0	-58.85	391.48	1.73	-57.12
COCCOC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227877	0	47	-1.0	-48.07	392.29	1.82	-46.25
COCCOC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227877	1	47	-1.0	-48.09	392.37	1.83	-46.26
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OCC(F)(F)F)=C1	REAL300020227878	0	45	-1.0	-45.33	374.75	5.79	-39.54
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OCC(F)(F)F)=C1	REAL300020227878	1	45	-1.0	-45.37	374.81	5.80	-39.57
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OCC(F)(F)F)=C1	REAL300020227879	0	42	-1.0	-54.95	359.33	4.86	-50.09
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OCC(F)(F)F)=C1	REAL300020227879	1	42	-1.0	-54.98	359.39	4.88	-50.10
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCC(F)(F)F)=C1	REAL300020227880	0	42	-1.0	-45.43	361.50	4.90	-40.53
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCC(F)(F)F)=C1	REAL300020227880	1	42	-1.0	-45.38	361.57	4.92	-40.46
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OCC(F)(F)F)=C1	REAL300020227881	0	48	-1.0	-51.10	383.14	6.76	-44.34
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OCC(F)(F)F)=C1	REAL300020227881	1	48	-1.0	-51.11	383.19	6.77	-44.34
O=C(NC1=CC=CC(N2CCS(=O)(=O)CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020227882	0	47	-1.0	-62.02	381.56	0.84	-61.18
O=C(NC1=CC=CC(N2CCS(=O)(=O)CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020227882	1	47	-1.0	-62.02	381.62	0.86	-61.16
O=C(NC1=CC=CC(N2CCS(=O)(=O)CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227883	0	47	-1.0	-52.08	383.11	0.87	-51.21
O=C(NC1=CC=CC(N2CCS(=O)(=O)CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227883	1	47	-1.0	-52.09	383.19	0.88	-51.21
COCCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227884	0	46	-1.0	-44.32	386.20	4.40	-39.92
COCCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227884	1	46	-1.0	-44.31	386.15	4.38	-39.93
COCCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227885	0	46	-1.0	-45.98	367.41	3.92	-42.06
COCCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227885	1	46	-1.0	-45.97	367.47	3.93	-42.04
COCCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227886	0	43	-1.0	-57.39	352.78	2.98	-54.41
COCCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227886	1	43	-1.0	-57.41	352.84	3.00	-54.41
COCCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227887	0	46	-1.0	-49.95	395.51	2.96	-46.99
COCCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227887	1	46	-1.0	-49.99	395.56	2.97	-47.02
COCCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227888	0	43	-1.0	-45.95	353.34	3.06	-42.89
COCCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227888	1	43	-1.0	-45.92	353.42	3.07	-42.85
COCCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227889	0	49	-1.0	-46.97	379.73	4.14	-42.83
COCCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227889	1	49	-1.0	-46.97	379.80	4.14	-42.83
O=C(NCC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227890	0	49	-1.0	-54.31	406.20	5.53	-48.78
O=C(NCC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227890	1	49	-1.0	-54.36	406.26	5.54	-48.82
O=C(NCC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227891	0	49	-1.0	-45.64	407.92	5.56	-40.08
O=C(NCC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227891	1	49	-1.0	-45.67	407.99	5.56	-40.11
COC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020227892	0	47	-1.0	-61.02	393.69	6.23	-54.79
COC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020227892	1	47	-1.0	-60.98	393.74	6.25	-54.73
COC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020227893	0	47	-1.0	-51.32	395.23	6.29	-45.03
COC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020227893	1	47	-1.0	-51.35	395.31	6.29	-45.06
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227894	0	51	-1.0	-49.86	420.58	6.89	-42.97
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227894	1	51	-1.0	-49.87	420.53	6.87	-43.00
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227895	0	51	-1.0	-47.33	401.08	6.43	-40.90
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227895	1	51	-1.0	-47.34	401.14	6.45	-40.89
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227896	0	48	-1.0	-57.81	386.14	5.44	-52.37
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227896	1	48	-1.0	-57.88	386.20	5.46	-52.42
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227897	0	51	-1.0	-50.94	429.01	5.40	-45.54
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227897	1	51	-1.0	-50.95	429.07	5.41	-45.54
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227898	0	48	-1.0	-48.81	387.57	5.50	-43.31
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227898	1	48	-1.0	-48.80	387.65	5.51	-43.29
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227899	0	54	-1.0	-50.71	408.78	7.45	-43.26
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227899	1	54	-1.0	-50.68	408.83	7.45	-43.23
O=C(NC1=CC=CC=C1OCC1CCCCO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227900	0	53	-1.0	-45.51	408.99	5.97	-39.54
O=C(NC1=CC=CC=C1OCC1CCCCO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227900	1	53	-1.0	-45.54	409.05	5.99	-39.55
O=C(NC1=CC=CC=C1OCC1CCCCO1)N1CCCC1C1=N[N-]N=N1	REAL300020227901	0	50	-1.0	-56.88	394.35	5.03	-51.85
O=C(NC1=CC=CC=C1OCC1CCCCO1)N1CCCC1C1=NN=N[N-]1	REAL300020227901	1	50	-1.0	-56.88	394.41	5.06	-51.82
O=C(NC1=CC=CC=C1OCC1CCCCO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227902	0	50	-1.0	-45.52	394.91	5.11	-40.41
O=C(NC1=CC=CC=C1OCC1CCCCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227902	1	50	-1.0	-45.52	394.98	5.12	-40.40
CC1=CC(SC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227903	0	49	-1.0	-43.60	401.01	9.22	-34.38
CC1=CC(SC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227903	1	49	-1.0	-43.61	401.07	9.23	-34.38
CC1=CC(SC2=CC=CC=C2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227904	0	46	-1.0	-56.69	386.72	8.34	-48.35
CC1=CC(SC2=CC=CC=C2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227904	1	46	-1.0	-56.69	386.78	8.36	-48.33
CC1=CC(SC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227905	0	46	-1.0	-44.27	388.25	8.37	-35.90
CC1=CC(SC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227905	1	46	-1.0	-44.23	388.32	8.39	-35.84
CC(C)OCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227906	0	48	-1.0	-53.45	400.36	6.24	-47.21
CC(C)OCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227906	1	48	-1.0	-53.46	400.30	6.22	-47.24
CC(C)OCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227907	0	48	-1.0	-44.93	381.37	5.75	-39.18
CC(C)OCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227907	1	48	-1.0	-44.92	381.43	5.76	-39.16
CC(C)OCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227908	0	45	-1.0	-52.96	366.00	4.82	-48.14
CC(C)OCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227908	1	45	-1.0	-52.98	366.06	4.83	-48.15
CSCC[C@H](NC(=O)NC1=CC=CC(COC(C)C)=C1)C1=N[N-]N=N1	REAL300020227909	0	48	-1.0	-46.37	409.23	4.81	-41.56
CSCC[C@H](NC(=O)NC1=CC=CC(COC(C)C)=C1)C1=NN=N[N-]1	REAL300020227909	1	48	-1.0	-46.33	409.28	4.83	-41.50
CC(C)OCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227910	0	45	-1.0	-43.80	367.04	4.89	-38.91
CC(C)OCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227910	1	45	-1.0	-43.83	367.12	4.90	-38.93
CC(C)OCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227911	0	51	-1.0	-48.78	389.35	6.63	-42.15
CC(C)OCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227911	1	51	-1.0	-48.85	389.40	6.64	-42.21
CC1=CC=C(C2=CC=C(C#N)S2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227912	0	46	-1.0	-49.36	389.95	8.39	-40.97
CC1=CC=C(C2=CC=C(C#N)S2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227912	1	46	-1.0	-49.34	390.01	8.41	-40.93
CC1=CC=C(C2=CC=C(C#N)S2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227913	0	43	-1.0	-63.36	375.86	7.49	-55.87
CC1=CC=C(C2=CC=C(C#N)S2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227913	1	43	-1.0	-63.40	375.92	7.49	-55.91
CC1=CC=C(C2=CC=C(C#N)S2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227914	0	43	-1.0	-50.12	376.24	7.50	-42.62
CC1=CC=C(C2=CC=C(C#N)S2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227914	1	43	-1.0	-50.12	376.31	7.52	-42.60
CCOC1=CC=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227915	0	43	-1.0	-58.85	373.32	5.53	-53.32
CCOC1=CC=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227915	1	43	-1.0	-58.83	373.26	5.51	-53.32
CCOC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227916	0	43	-1.0	-47.09	355.68	5.01	-42.08
CCOC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227916	1	43	-1.0	-47.05	355.73	5.03	-42.02
CCOC1=CC=C(C#N)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227917	0	40	-1.0	-59.04	339.97	4.11	-54.93
CCOC1=CC=C(C#N)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227917	1	40	-1.0	-59.09	340.03	4.14	-54.95
CCOC1=CC=C(C#N)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227918	0	43	-1.0	-51.90	382.67	4.09	-47.81
CCOC1=CC=C(C#N)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227918	1	43	-1.0	-51.87	382.73	4.11	-47.76
CCOC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227919	0	40	-1.0	-47.10	340.53	4.17	-42.93
CCOC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227919	1	40	-1.0	-47.09	340.61	4.19	-42.90
CCOC1=CC=C(C#N)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227920	0	46	-1.0	-51.86	363.22	5.92	-45.94
CCOC1=CC=C(C#N)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227920	1	46	-1.0	-51.79	363.28	5.92	-45.87
C=CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020227921	0	43	-1.0	-45.61	367.58	5.57	-40.04
C=CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020227921	1	43	-1.0	-45.61	367.52	5.55	-40.06
C=CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227922	0	43	-1.0	-43.86	347.16	5.15	-38.71
C=CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227922	1	43	-1.0	-43.85	347.22	5.16	-38.69
C=CCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227923	0	40	-1.0	-61.89	332.75	4.21	-57.68
C=CCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227923	1	40	-1.0	-61.89	332.81	4.23	-57.66
C=CCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020227924	0	43	-1.0	-46.65	376.29	4.17	-42.48
C=CCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020227924	1	43	-1.0	-46.66	376.34	4.18	-42.48
C=CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227925	0	40	-1.0	-48.54	334.40	4.23	-44.31
C=CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227925	1	40	-1.0	-48.52	334.48	4.24	-44.28
C=CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020227926	0	46	-1.0	-49.11	356.41	5.98	-43.13
C=CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020227926	1	46	-1.0	-49.17	356.46	6.01	-43.16
COCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020227927	0	46	-1.0	-63.59	394.46	4.29	-59.30
COCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020227927	1	46	-1.0	-63.62	394.52	4.32	-59.30
COCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020227928	0	46	-1.0	-51.15	375.27	3.84	-47.31
COCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020227928	1	46	-1.0	-51.13	375.32	3.86	-47.27
COCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020227929	0	43	-1.0	-64.70	359.68	2.95	-61.75
COCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020227929	1	43	-1.0	-64.71	359.74	2.97	-61.74
COCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020227930	0	46	-1.0	-47.30	403.23	2.92	-44.38
COCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020227930	1	46	-1.0	-47.34	403.28	2.93	-44.41
COCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020227931	0	43	-1.0	-51.52	361.10	3.01	-48.51
COCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020227931	1	43	-1.0	-51.49	361.17	3.02	-48.47
COCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020227932	0	49	-1.0	-43.87	389.75	4.04	-39.83
COCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020227932	1	49	-1.0	-43.85	389.80	4.06	-39.79
O=C(CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)N1CCCC1	REAL300020227933	0	55	-1.0	-49.55	430.94	7.37	-42.18
O=C(CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)N1CCCC1	REAL300020227933	1	55	-1.0	-49.49	431.00	7.38	-42.11
O=C(CCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)N1CCCC1	REAL300020227934	0	52	-1.0	-59.43	416.83	6.39	-53.04
O=C(CCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)N1CCCC1	REAL300020227934	1	52	-1.0	-59.44	416.89	6.41	-53.03
O=C(CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)N1CCCC1	REAL300020227935	0	52	-1.0	-49.74	418.21	6.44	-43.30
O=C(CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)N1CCCC1	REAL300020227935	1	52	-1.0	-49.74	418.29	6.45	-43.29
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OCC2CCCO2)=C1	REAL300020227936	0	53	-1.0	-46.61	412.26	5.76	-40.85
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OCC2CCCO2)=C1	REAL300020227936	1	53	-1.0	-46.69	412.32	5.78	-40.91
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OCC2CCCO2)=C1	REAL300020227937	0	50	-1.0	-56.46	396.84	4.84	-51.62
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OCC2CCCO2)=C1	REAL300020227937	1	50	-1.0	-56.45	396.90	4.87	-51.58
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCC2CCCO2)=C1	REAL300020227938	0	50	-1.0	-47.27	399.01	4.89	-42.38
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCC2CCCO2)=C1	REAL300020227938	1	50	-1.0	-47.28	399.08	4.90	-42.38
CCC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020227939	0	48	-1.0	-49.94	393.24	6.44	-43.50
CCC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020227939	1	48	-1.0	-49.93	393.18	6.42	-43.51
CCC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227940	0	48	-1.0	-44.17	374.83	5.99	-38.18
CCC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227940	1	48	-1.0	-44.19	374.89	6.00	-38.19
CCC(C)OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227941	0	45	-1.0	-55.04	358.66	5.04	-50.00
CCC(C)OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227941	1	45	-1.0	-55.04	358.72	5.06	-49.98
CCC(C)OC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020227942	0	48	-1.0	-47.78	402.95	5.05	-42.73
CCC(C)OC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020227942	1	48	-1.0	-47.80	403.01	5.07	-42.73
CCC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227943	0	45	-1.0	-44.88	360.21	5.07	-39.81
CCC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227943	1	45	-1.0	-44.89	360.28	5.08	-39.81
CCC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227944	0	51	-1.0	-50.46	382.29	6.85	-43.61
CCC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227944	1	51	-1.0	-50.45	382.35	6.85	-43.60
CN(C)C(=O)CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227945	0	48	-1.0	-47.35	398.82	5.90	-41.45
CN(C)C(=O)CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227945	1	48	-1.0	-47.33	398.77	5.87	-41.46
CN(C)C(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227946	0	48	-1.0	-50.29	380.41	5.43	-44.86
CN(C)C(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227946	1	48	-1.0	-50.32	380.47	5.45	-44.87
CN(C)C(=O)CC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227947	0	45	-1.0	-57.79	363.54	4.45	-53.34
CN(C)C(=O)CC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227947	1	45	-1.0	-57.78	363.60	4.47	-53.31
CSCC[C@H](NC(=O)NC1=CC=CC=C1CC(=O)N(C)C)C1=N[N-]N=N1	REAL300020227948	0	48	-1.0	-50.06	408.64	4.49	-45.57
CSCC[C@H](NC(=O)NC1=CC=CC=C1CC(=O)N(C)C)C1=NN=N[N-]1	REAL300020227948	1	48	-1.0	-50.07	408.69	4.50	-45.57
CN(C)C(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227949	0	45	-1.0	-49.83	364.51	4.51	-45.32
CN(C)C(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227949	1	45	-1.0	-49.84	364.58	4.52	-45.32
CN(C)C(=O)CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227950	0	51	-1.0	-54.92	387.35	6.35	-48.57
CN(C)C(=O)CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227950	1	51	-1.0	-54.97	387.40	6.36	-48.61
N#CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227951	0	47	-1.0	-48.89	393.04	7.51	-41.38
N#CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227951	1	47	-1.0	-48.92	393.10	7.53	-41.39
N#CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227952	0	44	-1.0	-64.58	377.97	6.62	-57.96
N#CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227952	1	44	-1.0	-64.57	378.02	6.63	-57.94
N#CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227953	0	44	-1.0	-52.66	379.47	6.66	-46.00
N#CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227953	1	44	-1.0	-52.62	379.55	6.68	-45.94
COC1=C(Cl)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227954	0	39	-1.0	-39.86	350.67	4.87	-34.99
COC1=C(Cl)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227954	1	39	-1.0	-39.85	350.62	4.84	-35.01
COC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227955	0	39	-1.0	-40.87	331.78	4.37	-36.50
COC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227955	1	39	-1.0	-40.87	331.84	4.38	-36.49
COC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020227956	0	36	-1.0	-49.41	317.12	3.46	-45.95
COC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020227956	1	36	-1.0	-49.42	317.18	3.47	-45.95
COC1=C(Cl)C=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020227957	0	39	-1.0	-43.99	359.98	3.42	-40.57
COC1=C(Cl)C=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020227957	1	39	-1.0	-44.03	360.03	3.43	-40.60
COC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020227958	0	36	-1.0	-41.00	318.65	3.50	-37.50
COC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020227958	1	36	-1.0	-41.04	318.72	3.52	-37.52
COC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020227959	0	42	-1.0	-45.41	340.45	5.24	-40.17
COC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020227959	1	42	-1.0	-45.42	340.51	5.25	-40.17
CC1=C(C)OC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=N1	REAL300020227960	0	47	-1.0	-51.01	402.07	4.75	-46.26
CC1=C(C)OC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=N1	REAL300020227960	1	47	-1.0	-50.97	402.01	4.72	-46.25
CC1=C(C)OC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300020227961	0	47	-1.0	-54.84	383.46	4.22	-50.62
CC1=C(C)OC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300020227961	1	47	-1.0	-54.82	383.40	4.21	-50.61
CC1=C(C)OC(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020227962	0	44	-1.0	-69.79	367.74	3.32	-66.47
CC1=C(C)OC(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020227962	1	44	-1.0	-69.80	367.68	3.31	-66.49
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC(C)=C(C)O2)=C1)C1=NN=N[N-]1	REAL300020227963	0	47	-1.0	-57.62	410.09	3.20	-54.42
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC(C)=C(C)O2)=C1)C1=N[N-]N=N1	REAL300020227963	1	47	-1.0	-57.59	410.04	3.18	-54.41
CC1=C(C)OC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020227964	0	44	-1.0	-54.92	369.42	3.35	-51.57
CC1=C(C)OC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020227964	1	44	-1.0	-54.93	369.35	3.33	-51.60
CC1=C(C)OC(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020227965	0	50	-1.0	-47.85	395.73	4.36	-43.49
CC1=C(C)OC(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020227965	1	50	-1.0	-47.87	395.68	4.34	-43.53
COC(=O)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020227966	0	46	-1.0	-57.35	393.56	5.26	-52.09
COC(=O)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020227966	1	46	-1.0	-57.35	393.50	5.23	-52.12
COC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227967	0	46	-1.0	-46.99	375.11	4.80	-42.19
COC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227967	1	46	-1.0	-46.94	375.17	4.81	-42.13
COC(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227968	0	43	-1.0	-56.48	358.63	3.85	-52.63
COC(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227968	1	43	-1.0	-56.47	358.69	3.88	-52.59
COC(=O)N(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020227969	0	46	-1.0	-50.09	402.91	3.86	-46.23
COC(=O)N(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020227969	1	46	-1.0	-50.15	402.97	3.88	-46.27
COC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227970	0	43	-1.0	-50.03	360.64	3.90	-46.13
COC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227970	1	43	-1.0	-50.03	360.71	3.91	-46.12
COC(=O)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020227971	0	49	-1.0	-58.95	382.88	5.69	-53.26
COC(=O)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020227971	1	49	-1.0	-58.96	382.94	5.69	-53.27
CC(C)COC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020227972	0	52	-1.0	-46.01	414.69	4.87	-41.14
CC(C)COC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020227972	1	52	-1.0	-46.06	414.75	4.89	-41.17
CC(C)COC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020227973	0	49	-1.0	-55.97	399.40	3.96	-52.01
CC(C)COC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020227973	1	49	-1.0	-55.98	399.46	3.98	-52.00
CC(C)COC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020227974	0	49	-1.0	-46.29	400.26	4.06	-42.23
CC(C)COC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020227974	1	49	-1.0	-46.29	400.34	4.07	-42.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN=C1Cl	REAL300020227975	0	34	-1.0	-45.56	312.02	3.61	-41.95
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN=C1Cl	REAL300020227975	1	34	-1.0	-45.59	311.97	3.58	-42.01
O=C(NC1=CC=CN=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227976	0	34	-1.0	-41.66	293.85	3.13	-38.53
O=C(NC1=CC=CN=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227976	1	34	-1.0	-41.64	293.79	3.12	-38.52
CSCC[C@H](NC(=O)NC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL300020227977	0	34	-1.0	-43.53	322.07	2.17	-41.36
CSCC[C@H](NC(=O)NC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL300020227977	1	34	-1.0	-43.55	322.02	2.16	-41.39
O=C(NC1=CC=CN=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020227978	0	37	-1.0	-44.42	299.76	3.96	-40.46
O=C(NC1=CC=CN=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020227978	1	37	-1.0	-44.37	299.71	3.94	-40.43
O=C(NC1=CC=C(Cl)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227979	0	34	-1.0	-41.14	314.94	3.47	-37.67
O=C(NC1=CC=C(Cl)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227979	1	34	-1.0	-41.12	314.89	3.44	-37.68
O=C(NC1=CC=C(Cl)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227980	0	34	-1.0	-42.83	296.00	2.97	-39.86
O=C(NC1=CC=C(Cl)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227980	1	34	-1.0	-42.81	295.94	2.96	-39.85
CSCC[C@H](NC(=O)NC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL300020227981	0	34	-1.0	-44.49	324.09	2.01	-42.48
CSCC[C@H](NC(=O)NC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL300020227981	1	34	-1.0	-44.45	324.03	2.00	-42.45
O=C(NC1=CC=C(Cl)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227982	0	37	-1.0	-38.31	310.33	3.10	-35.21
O=C(NC1=CC=C(Cl)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227982	1	37	-1.0	-38.33	310.28	3.09	-35.24
COC1=CC(Br)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC	REAL300020227983	0	40	-1.0	-51.64	345.40	3.33	-48.31
COC1=CC(Br)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC	REAL300020227983	1	40	-1.0	-51.67	345.46	3.35	-48.32
COC1=CC(Br)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020227984	0	40	-1.0	-42.54	346.77	3.39	-39.15
COC1=CC(Br)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020227984	1	40	-1.0	-42.52	346.84	3.40	-39.12
O=C(NC1CCCCC1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020227985	0	55	-1.0	-46.07	424.01	6.15	-39.92
O=C(NC1CCCCC1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020227985	1	55	-1.0	-46.08	424.06	6.16	-39.92
O=C(NC1CCCCC1)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020227986	0	52	-1.0	-53.80	408.87	5.21	-48.59
O=C(NC1CCCCC1)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020227986	1	52	-1.0	-53.87	408.93	5.23	-48.64
O=C(NC1CCCCC1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020227987	0	52	-1.0	-45.58	410.25	5.25	-40.33
O=C(NC1CCCCC1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020227987	1	52	-1.0	-45.61	410.33	5.26	-40.35
O=C(NC1=CC(Cl)=CC=C1OCC1CCCO1)N1CCCC1C1=N[N-]N=N1	REAL300020227988	0	47	-1.0	-57.95	392.16	4.70	-53.25
O=C(NC1=CC(Cl)=CC=C1OCC1CCCO1)N1CCCC1C1=NN=N[N-]1	REAL300020227988	1	47	-1.0	-57.96	392.22	4.71	-53.25
O=C(NC1=CC(Cl)=CC=C1OCC1CCCO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227989	0	47	-1.0	-47.24	394.33	4.74	-42.50
O=C(NC1=CC(Cl)=CC=C1OCC1CCCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227989	1	47	-1.0	-47.23	394.41	4.76	-42.47
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCC3=C2C1=CC=C3	REAL300020227990	0	45	-1.0	-43.60	369.71	8.26	-35.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCC3=C2C1=CC=C3	REAL300020227990	1	45	-1.0	-43.61	369.66	8.24	-35.37
O=C(NC1=CC=C2CCC3=C2C1=CC=C3)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227991	0	45	-1.0	-45.58	349.96	7.78	-37.80
O=C(NC1=CC=C2CCC3=C2C1=CC=C3)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227991	1	45	-1.0	-45.63	350.01	7.79	-37.84
O=C(NC1=CC=C2CCC3=C2C1=CC=C3)N1CCCC1C1=N[N-]N=N1	REAL300020227992	0	42	-1.0	-56.58	336.38	6.90	-49.68
O=C(NC1=CC=C2CCC3=C2C1=CC=C3)N1CCCC1C1=NN=N[N-]1	REAL300020227992	1	42	-1.0	-56.58	336.44	6.92	-49.66
CSCC[C@H](NC(=O)NC1=CC=C2CCC3=C2C1=CC=C3)C1=N[N-]N=N1	REAL300020227993	0	45	-1.0	-50.18	380.03	6.87	-43.31
CSCC[C@H](NC(=O)NC1=CC=C2CCC3=C2C1=CC=C3)C1=NN=N[N-]1	REAL300020227993	1	45	-1.0	-50.18	380.09	6.89	-43.29
O=C(NC1=CC=C2CCC3=C2C1=CC=C3)N1CCC(C2=N[N-]N=N2)C1	REAL300020227994	0	42	-1.0	-45.84	337.87	6.95	-38.89
O=C(NC1=CC=C2CCC3=C2C1=CC=C3)N1CCC(C2=NN=N[N-]2)C1	REAL300020227994	1	42	-1.0	-45.87	337.95	6.96	-38.91
O=C(NC1=CC=C2CCC3=C2C1=CC=C3)N1CCCCC1CC1=N[N-]N=N1	REAL300020227995	0	48	-1.0	-52.67	359.03	8.68	-43.99
O=C(NC1=CC=C2CCC3=C2C1=CC=C3)N1CCCCC1CC1=NN=N[N-]1	REAL300020227995	1	48	-1.0	-52.68	359.08	8.68	-44.00
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1C(=O)N1CCOCC1	REAL300020227996	0	53	-1.0	-45.73	405.93	4.62	-41.11
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1C(=O)N1CCOCC1	REAL300020227996	1	53	-1.0	-45.71	405.98	4.64	-41.07
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1C(=O)N1CCOCC1	REAL300020227997	0	50	-1.0	-56.17	390.86	3.76	-52.41
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1C(=O)N1CCOCC1	REAL300020227997	1	50	-1.0	-56.16	390.92	3.77	-52.39
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1C(=O)N1CCOCC1	REAL300020227998	0	50	-1.0	-46.96	393.17	3.86	-43.10
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1C(=O)N1CCOCC1	REAL300020227998	1	50	-1.0	-46.98	393.24	3.87	-43.11
CCCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020227999	0	48	-1.0	-51.86	395.63	4.71	-47.15
CCCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020227999	1	48	-1.0	-51.83	395.68	4.72	-47.11
CCCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020228000	0	45	-1.0	-52.51	380.66	3.77	-48.74
CCCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020228000	1	45	-1.0	-52.53	380.72	3.79	-48.74
CCCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020228001	0	45	-1.0	-44.88	382.03	3.83	-41.05
CCCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020228001	1	45	-1.0	-44.90	382.10	3.83	-41.07
CCC(C)NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020228002	0	51	-1.0	-50.94	421.87	5.72	-45.22
CCC(C)NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020228002	1	51	-1.0	-50.94	421.92	5.74	-45.20
CCC(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020228003	0	51	-1.0	-45.81	401.77	5.22	-40.59
CCC(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020228003	1	51	-1.0	-45.78	401.83	5.23	-40.55
CCC(C)NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020228004	0	48	-1.0	-54.03	387.55	4.30	-49.73
CCC(C)NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020228004	1	48	-1.0	-54.02	387.61	4.32	-49.70
CCC(C)NC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020228005	0	51	-1.0	-56.59	431.40	4.23	-52.36
CCC(C)NC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020228005	1	51	-1.0	-56.59	431.46	4.25	-52.34
CCC(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020228006	0	48	-1.0	-45.66	389.22	4.33	-41.33
CCC(C)NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020228006	1	48	-1.0	-45.63	389.30	4.34	-41.29
CCC(C)NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020228007	0	54	-1.0	-50.29	411.16	6.11	-44.18
CCC(C)NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020228007	1	54	-1.0	-50.28	411.21	6.12	-44.16
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN=C1N1CCOCC1	REAL300020228008	0	47	-1.0	-51.62	382.89	3.78	-47.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN=C1N1CCOCC1	REAL300020228008	1	47	-1.0	-51.63	382.95	3.81	-47.82
O=C(NC1=CC=CN=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228009	0	47	-1.0	-42.60	366.48	2.92	-39.68
O=C(NC1=CC=CN=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228009	1	47	-1.0	-42.61	366.54	2.94	-39.67
O=C(NC1=CC=CN=C1N1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020228010	0	44	-1.0	-52.06	348.19	2.35	-49.71
O=C(NC1=CC=CN=C1N1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020228010	1	44	-1.0	-52.05	348.25	2.36	-49.69
CSCC[C@H](NC(=O)NC1=CC=CN=C1N1CCOCC1)C1=N[N-]N=N1	REAL300020228011	0	47	-1.0	-44.93	391.71	2.31	-42.62
CSCC[C@H](NC(=O)NC1=CC=CN=C1N1CCOCC1)C1=NN=N[N-]1	REAL300020228011	1	47	-1.0	-44.91	391.77	2.32	-42.59
O=C(NC1=CC=CN=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228012	0	44	-1.0	-42.59	349.59	2.40	-40.19
O=C(NC1=CC=CN=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228012	1	44	-1.0	-42.59	349.66	2.41	-40.18
O=C(NC1=CC=CN=C1N1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228013	0	50	-1.0	-41.97	374.40	3.54	-38.43
O=C(NC1=CC=CN=C1N1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228013	1	50	-1.0	-41.93	374.42	3.55	-38.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2CCCCC2)=C1	REAL300020228014	0	50	-1.0	-46.80	395.76	6.12	-40.68
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2CCCCC2)=C1	REAL300020228014	1	50	-1.0	-46.83	395.70	6.10	-40.73
O=C(NC1=CC=CC(N2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228015	0	50	-1.0	-42.82	376.72	5.59	-37.23
O=C(NC1=CC=CC(N2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228015	1	50	-1.0	-42.88	376.77	5.60	-37.28
O=C(NC1=CC=CC(N2CCCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228016	0	47	-1.0	-53.42	361.71	4.64	-48.78
O=C(NC1=CC=CC(N2CCCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228016	1	47	-1.0	-53.39	361.77	4.65	-48.74
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCCCC2)=C1)C1=N[N-]N=N1	REAL300020228017	0	50	-1.0	-48.99	405.20	4.60	-44.39
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCCCC2)=C1)C1=NN=N[N-]1	REAL300020228017	1	50	-1.0	-49.04	405.26	4.61	-44.43
O=C(NC1=CC=CC(N2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228018	0	47	-1.0	-43.02	362.79	4.72	-38.30
O=C(NC1=CC=CC(N2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228018	1	47	-1.0	-43.00	362.86	4.73	-38.27
O=C(NC1=CC=CC(N2CCCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228019	0	53	-1.0	-44.24	389.45	5.74	-38.50
O=C(NC1=CC=CC(N2CCCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228019	1	53	-1.0	-42.57	389.57	5.74	-36.83
CC(C)OC1=CC=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228020	0	46	-1.0	-58.32	391.24	6.17	-52.15
CC(C)OC1=CC=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228020	1	46	-1.0	-58.31	391.18	6.14	-52.17
CC(C)OC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228021	0	46	-1.0	-46.47	371.94	5.70	-40.77
CC(C)OC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228021	1	46	-1.0	-46.48	372.00	5.71	-40.77
CC(C)OC1=CC=C(C#N)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228022	0	43	-1.0	-56.00	357.12	4.75	-51.25
CC(C)OC1=CC=C(C#N)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228022	1	43	-1.0	-56.01	357.18	4.77	-51.24
CSCC[C@H](NC(=O)NC1=CC(C#N)=CC=C1OC(C)C)C1=N[N-]N=N1	REAL300020228023	0	46	-1.0	-51.10	400.79	4.72	-46.38
CSCC[C@H](NC(=O)NC1=CC(C#N)=CC=C1OC(C)C)C1=NN=N[N-]1	REAL300020228023	1	46	-1.0	-51.08	400.84	4.73	-46.35
CC(C)OC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228024	0	43	-1.0	-46.98	360.01	4.84	-42.14
CC(C)OC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228024	1	43	-1.0	-46.97	360.08	4.85	-42.12
CC(C)OC1=CC=C(C#N)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228025	0	49	-1.0	-42.01	383.41	5.71	-36.30
CC(C)OC1=CC=C(C#N)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228025	1	49	-1.0	-42.00	383.45	5.72	-36.28
C=CCN(CC=C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020228026	0	53	-1.0	-47.15	424.43	7.20	-39.95
C=CCN(CC=C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020228026	1	53	-1.0	-47.17	424.48	7.21	-39.96
C=CCN(CC=C)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020228027	0	50	-1.0	-59.82	406.70	6.21	-53.61
C=CCN(CC=C)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020228027	1	50	-1.0	-59.86	406.76	6.22	-53.64
C=CCN(CC=C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020228028	0	50	-1.0	-50.20	407.39	6.31	-43.89
C=CCN(CC=C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020228028	1	50	-1.0	-50.15	407.47	6.33	-43.82
O=C(NC1=CC=C(OC2CCCC2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228029	0	49	-1.0	-44.52	394.49	7.06	-37.46
O=C(NC1=CC=C(OC2CCCC2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228029	1	49	-1.0	-44.55	394.55	7.07	-37.48
O=C(NC1=CC=C(OC2CCCC2)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228030	0	46	-1.0	-51.44	378.74	6.14	-45.30
O=C(NC1=CC=C(OC2CCCC2)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228030	1	46	-1.0	-51.48	378.80	6.16	-45.32
O=C(NC1=CC=C(OC2CCCC2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228031	0	46	-1.0	-42.26	380.11	6.19	-36.07
O=C(NC1=CC=C(OC2CCCC2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228031	1	46	-1.0	-42.27	380.19	6.19	-36.08
CCOC1=C(Cl)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228032	0	42	-1.0	-39.68	372.53	5.84	-33.84
CCOC1=C(Cl)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228032	1	42	-1.0	-39.69	372.47	5.81	-33.88
CCOC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228033	0	42	-1.0	-40.67	353.63	5.34	-35.33
CCOC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228033	1	42	-1.0	-40.66	353.69	5.35	-35.31
CCOC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228034	0	39	-1.0	-50.18	339.11	4.43	-45.75
CCOC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228034	1	39	-1.0	-50.20	339.17	4.44	-45.76
CCOC1=C(Cl)C=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020228035	0	42	-1.0	-44.04	382.66	4.38	-39.66
CCOC1=C(Cl)C=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020228035	1	42	-1.0	-44.07	382.72	4.39	-39.68
CCOC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228036	0	39	-1.0	-40.81	340.50	4.46	-36.35
CCOC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228036	1	39	-1.0	-40.83	340.58	4.48	-36.35
CCOC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228037	0	45	-1.0	-43.45	368.40	5.52	-37.93
CCOC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228037	1	45	-1.0	-43.46	368.46	5.54	-37.92
O=C(NC1=CC=CC(COCC2CC2)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228038	0	49	-1.0	-53.55	411.76	7.07	-46.48
O=C(NC1=CC=CC(COCC2CC2)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228038	1	49	-1.0	-53.56	411.71	7.05	-46.51
O=C(NC1=CC=CC(COCC2CC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228039	0	49	-1.0	-43.91	392.83	6.54	-37.37
O=C(NC1=CC=CC(COCC2CC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228039	1	49	-1.0	-43.89	392.89	6.56	-37.33
O=C(NC1=CC=CC(COCC2CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228040	0	46	-1.0	-53.08	377.40	5.64	-47.44
O=C(NC1=CC=CC(COCC2CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228040	1	46	-1.0	-53.10	377.46	5.66	-47.44
CSCC[C@H](NC(=O)NC1=CC=CC(COCC2CC2)=C1)C1=N[N-]N=N1	REAL300020228041	0	49	-1.0	-46.46	420.61	5.64	-40.82
CSCC[C@H](NC(=O)NC1=CC=CC(COCC2CC2)=C1)C1=NN=N[N-]1	REAL300020228041	1	49	-1.0	-46.48	420.67	5.66	-40.82
O=C(NC1=CC=CC(COCC2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228042	0	46	-1.0	-45.14	378.73	5.70	-39.44
O=C(NC1=CC=CC(COCC2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228042	1	46	-1.0	-45.17	378.80	5.70	-39.47
O=C(NC1=CC=CC(COCC2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228043	0	52	-1.0	-44.99	407.13	6.74	-38.25
O=C(NC1=CC=CC(COCC2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228043	1	52	-1.0	-45.00	407.18	6.77	-38.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(OCC2CCCO2)=C1	REAL300020228044	0	50	-1.0	-66.36	411.54	5.46	-60.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(OCC2CCCO2)=C1	REAL300020228044	1	50	-1.0	-66.32	411.60	5.48	-60.84
O=C(NC1=CC=CC(OCC2CCCO2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228045	0	50	-1.0	-46.12	392.61	4.95	-41.17
O=C(NC1=CC=CC(OCC2CCCO2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228045	1	50	-1.0	-46.15	392.66	4.96	-41.19
O=C(NC1=CC=CC(OCC2CCCO2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228046	0	47	-1.0	-67.10	376.93	4.08	-63.02
O=C(NC1=CC=CC(OCC2CCCO2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228046	1	47	-1.0	-67.09	376.99	4.10	-62.99
CSCC[C@H](NC(=O)NC1=CC=CC(OCC2CCCO2)=C1)C1=N[N-]N=N1	REAL300020228047	0	50	-1.0	-59.39	420.71	4.01	-55.38
CSCC[C@H](NC(=O)NC1=CC=CC(OCC2CCCO2)=C1)C1=NN=N[N-]1	REAL300020228047	1	50	-1.0	-59.41	420.77	4.03	-55.38
O=C(NC1=CC=CC(OCC2CCCO2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228048	0	47	-1.0	-53.01	378.56	4.11	-48.90
O=C(NC1=CC=CC(OCC2CCCO2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228048	1	47	-1.0	-52.98	378.64	4.12	-48.86
O=C(NC1=CC=CC(OCC2CCCO2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228049	0	53	-1.0	-48.49	406.95	5.16	-43.33
O=C(NC1=CC=CC(OCC2CCCO2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228049	1	53	-1.0	-48.50	407.00	5.19	-43.31
COC(=O)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228050	0	45	-1.0	-52.42	389.18	5.68	-46.74
COC(=O)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228050	1	45	-1.0	-52.39	389.12	5.65	-46.74
COC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228051	0	45	-1.0	-56.01	370.05	5.21	-50.80
COC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228051	1	45	-1.0	-56.03	370.11	5.22	-50.81
COC(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228052	0	42	-1.0	-70.81	354.36	4.32	-66.49
COC(=O)COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228052	1	42	-1.0	-70.85	354.42	4.33	-66.52
COC(=O)COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020228053	0	45	-1.0	-51.89	397.89	4.29	-47.60
COC(=O)COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020228053	1	45	-1.0	-51.90	397.95	4.30	-47.60
COC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228054	0	42	-1.0	-56.09	356.01	4.34	-51.75
COC(=O)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228054	1	42	-1.0	-56.09	356.08	4.36	-51.73
COC(=O)COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228055	0	48	-1.0	-53.59	378.01	6.10	-47.49
COC(=O)COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228055	1	48	-1.0	-53.55	378.07	6.11	-47.44
COC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228056	0	39	-1.0	-54.67	346.24	4.71	-49.96
COC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228056	1	39	-1.0	-54.63	346.19	4.69	-49.94
COC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228057	0	39	-1.0	-44.77	328.66	4.21	-40.56
COC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228057	1	39	-1.0	-44.77	328.71	4.23	-40.54
COC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228058	0	36	-1.0	-56.53	312.95	3.32	-53.21
COC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228058	1	36	-1.0	-56.50	313.01	3.35	-53.15
COC1=CC=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020228059	0	39	-1.0	-49.28	355.58	3.26	-46.02
COC1=CC=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020228059	1	39	-1.0	-49.26	355.63	3.27	-45.99
COC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228060	0	36	-1.0	-44.70	314.30	3.37	-41.33
COC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228060	1	36	-1.0	-44.74	314.37	3.38	-41.36
COC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228061	0	42	-1.0	-50.35	336.21	5.11	-45.24
COC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228061	1	42	-1.0	-50.32	336.27	5.11	-45.21
CSC1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228062	0	39	-1.0	-54.12	356.81	6.44	-47.68
CSC1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228062	1	39	-1.0	-54.12	356.75	6.41	-47.71
CSC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228063	0	39	-1.0	-44.11	339.20	5.94	-38.17
CSC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228063	1	39	-1.0	-44.09	339.25	5.96	-38.13
CSC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228064	0	36	-1.0	-53.84	322.60	5.04	-48.80
CSC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228064	1	36	-1.0	-53.86	322.66	5.06	-48.80
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1SC)C1=N[N-]N=N1	REAL300020228065	0	39	-1.0	-48.42	366.13	4.99	-43.43
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1SC)C1=NN=N[N-]1	REAL300020228065	1	39	-1.0	-48.43	366.19	5.01	-43.42
CSC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228066	0	36	-1.0	-43.90	323.99	5.08	-38.82
CSC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228066	1	36	-1.0	-43.86	324.06	5.09	-38.77
CSC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228067	0	42	-1.0	-43.13	352.66	6.10	-37.03
CSC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228067	1	42	-1.0	-43.12	352.71	6.11	-37.01
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=C1	REAL300020228068	0	45	-1.0	-40.85	369.20	5.75	-35.10
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=C1	REAL300020228068	1	45	-1.0	-40.89	369.26	5.77	-35.12
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL300020228069	0	42	-1.0	-49.21	353.77	4.85	-44.36
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL300020228069	1	42	-1.0	-49.25	353.83	4.87	-44.38
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1	REAL300020228070	0	42	-1.0	-40.60	356.06	4.94	-35.66
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020228070	1	42	-1.0	-40.62	356.13	4.95	-35.67
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL300020228071	0	48	-1.0	-46.04	374.04	6.02	-40.02
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL300020228071	1	48	-1.0	-46.03	374.07	6.02	-40.01
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020228072	0	45	-1.0	-54.05	374.59	5.75	-48.30
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020228072	1	45	-1.0	-54.02	374.54	5.73	-48.29
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020228073	0	45	-1.0	-43.99	355.66	5.23	-38.76
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020228073	1	45	-1.0	-44.00	355.72	5.25	-38.75
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020228074	0	42	-1.0	-53.34	340.18	4.33	-49.01
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020228074	1	42	-1.0	-53.35	340.24	4.35	-49.00
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020228075	0	45	-1.0	-49.76	383.71	4.29	-45.47
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020228075	1	45	-1.0	-49.78	383.77	4.31	-45.47
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020228076	0	42	-1.0	-44.13	341.57	4.38	-39.75
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020228076	1	42	-1.0	-44.13	341.65	4.40	-39.73
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020228077	0	48	-1.0	-41.73	368.03	5.43	-36.30
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020228077	1	48	-1.0	-41.72	368.08	5.44	-36.28
CC1=NC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=NO1	REAL300020228078	0	43	-1.0	-66.56	375.46	4.13	-62.43
CC1=NC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=NO1	REAL300020228078	1	43	-1.0	-66.57	375.41	4.11	-62.46
CC1=NC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=NO1	REAL300020228079	0	43	-1.0	-52.19	356.24	3.67	-48.52
CC1=NC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=NO1	REAL300020228079	1	43	-1.0	-52.18	356.19	3.65	-48.53
CC1=NC(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=NO1	REAL300020228080	0	40	-1.0	-68.49	340.85	2.75	-65.74
CC1=NC(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=NO1	REAL300020228080	1	40	-1.0	-68.47	340.80	2.73	-65.74
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NOC(C)=N2)=C1)C1=NN=N[N-]1	REAL300020228081	0	43	-1.0	-60.88	384.64	2.68	-58.20
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NOC(C)=N2)=C1)C1=N[N-]N=N1	REAL300020228081	1	43	-1.0	-60.88	384.58	2.66	-58.22
CC1=NC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=NO1	REAL300020228082	0	40	-1.0	-53.72	342.22	2.79	-50.93
CC1=NC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=NO1	REAL300020228082	1	40	-1.0	-53.69	342.14	2.78	-50.91
CC1=NC(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=NO1	REAL300020228083	0	46	-1.0	-48.16	370.84	3.84	-44.32
CC1=NC(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=NO1	REAL300020228083	1	46	-1.0	-48.16	370.79	3.81	-44.35
O=C(NC1=CC=C(OC2=CC=C(Cl)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228084	0	45	-1.0	-43.50	387.24	5.20	-38.30
O=C(NC1=CC=C(OC2=CC=C(Cl)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228084	1	45	-1.0	-43.54	387.18	5.19	-38.35
O=C(NC1=CC=C(OC2=CC=C(Cl)C=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228085	0	42	-1.0	-51.28	371.04	4.32	-46.96
O=C(NC1=CC=C(OC2=CC=C(Cl)C=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228085	1	42	-1.0	-51.29	370.98	4.31	-46.98
O=C(NC1=CC=C(OC2=CC=C(Cl)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228086	0	42	-1.0	-43.14	372.45	4.38	-38.76
O=C(NC1=CC=C(OC2=CC=C(Cl)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228086	1	42	-1.0	-43.15	372.37	4.37	-38.78
O=C(NC1=CC=CC(COCCC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228087	0	52	-1.0	-53.59	427.13	7.89	-45.70
O=C(NC1=CC=CC(COCCC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228087	1	52	-1.0	-53.59	427.19	7.91	-45.68
O=C(NC1=CC=CC(COCCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228088	0	52	-1.0	-47.24	428.47	7.94	-39.30
O=C(NC1=CC=CC(COCCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228088	1	52	-1.0	-47.23	428.54	7.96	-39.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(N2C=CC=N2)C(F)=C1	REAL300020228089	0	42	-1.0	-57.54	364.89	5.98	-51.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(N2C=CC=N2)C(F)=C1	REAL300020228089	1	42	-1.0	-57.56	364.84	5.95	-51.61
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228090	0	42	-1.0	-46.35	346.84	5.65	-40.70
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228090	1	42	-1.0	-46.31	346.79	5.64	-40.67
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228091	0	39	-1.0	-54.88	330.58	4.56	-50.32
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228091	1	39	-1.0	-54.86	330.52	4.55	-50.31
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC=N2)C(F)=C1)C1=NN=N[N-]1	REAL300020228092	0	42	-1.0	-48.46	373.81	4.56	-43.90
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC=N2)C(F)=C1)C1=N[N-]N=N1	REAL300020228092	1	42	-1.0	-48.45	373.75	4.55	-43.90
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228093	0	39	-1.0	-46.55	331.96	4.61	-41.94
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228093	1	39	-1.0	-46.54	331.89	4.61	-41.93
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228094	0	45	-1.0	-51.08	353.93	6.37	-44.71
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228094	1	45	-1.0	-51.11	353.88	6.36	-44.75
CC1(C)OC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2O1	REAL300020228095	0	44	-1.0	-49.47	371.06	5.11	-44.36
CC1(C)OC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2O1	REAL300020228095	1	44	-1.0	-49.50	371.00	5.09	-44.41
CC1(C)OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2O1	REAL300020228096	0	44	-1.0	-43.58	350.73	4.59	-38.99
CC1(C)OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2O1	REAL300020228096	1	44	-1.0	-43.61	350.79	4.60	-39.01
CC1(C)OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2O1	REAL300020228097	0	41	-1.0	-60.95	336.74	3.66	-57.29
CC1(C)OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2O1	REAL300020228097	1	41	-1.0	-60.98	336.79	3.68	-57.30
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)(C)OC2=C1)C1=N[N-]N=N1	REAL300020228098	0	44	-1.0	-50.53	380.52	3.60	-46.93
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)(C)OC2=C1)C1=NN=N[N-]1	REAL300020228098	1	44	-1.0	-50.55	380.58	3.61	-46.94
CC1(C)OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020228099	0	41	-1.0	-48.61	338.06	3.72	-44.89
CC1(C)OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020228099	1	41	-1.0	-48.65	338.13	3.73	-44.92
CC1(C)OC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2O1	REAL300020228100	0	47	-1.0	-43.41	364.82	4.72	-38.69
CC1(C)OC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2O1	REAL300020228100	1	47	-1.0	-43.42	364.85	4.73	-38.69
CC(C)CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228101	0	51	-1.0	-44.98	415.24	7.08	-37.90
CC(C)CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228101	1	51	-1.0	-44.99	415.19	7.06	-37.93
CC(C)CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228102	0	51	-1.0	-43.37	394.83	6.67	-36.70
CC(C)CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228102	1	51	-1.0	-43.37	394.88	6.68	-36.69
CC(C)CCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228103	0	48	-1.0	-61.34	380.42	5.72	-55.62
CC(C)CCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228103	1	48	-1.0	-61.31	380.48	5.74	-55.57
CSCC[C@H](NC(=O)NC1=CC=CC(OCCC(C)C)=C1)C1=N[N-]N=N1	REAL300020228104	0	51	-1.0	-53.90	424.20	5.65	-48.25
CSCC[C@H](NC(=O)NC1=CC=CC(OCCC(C)C)=C1)C1=NN=N[N-]1	REAL300020228104	1	51	-1.0	-53.90	424.26	5.67	-48.23
CC(C)CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228105	0	48	-1.0	-48.00	382.06	5.75	-42.25
CC(C)CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228105	1	48	-1.0	-48.01	382.14	5.76	-42.25
CC(C)CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228106	0	54	-1.0	-43.49	410.44	6.80	-36.69
CC(C)CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228106	1	54	-1.0	-43.54	410.49	6.83	-36.71
COC(C)C(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228107	0	49	-1.0	-54.90	411.91	4.47	-50.43
COC(C)C(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228107	1	49	-1.0	-54.95	411.96	4.50	-50.45
COC(C)C(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228108	0	49	-1.0	-49.21	393.59	3.97	-45.24
COC(C)C(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228108	1	49	-1.0	-49.27	393.65	3.98	-45.29
COC(C)C(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228109	0	46	-1.0	-60.03	377.71	3.05	-56.98
COC(C)C(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228109	1	46	-1.0	-60.04	377.77	3.07	-56.97
COC(C)C(=O)NC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020228110	0	49	-1.0	-53.74	421.22	3.03	-50.71
COC(C)C(=O)NC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020228110	1	49	-1.0	-53.76	421.27	3.05	-50.71
COC(C)C(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228111	0	46	-1.0	-49.58	379.10	3.13	-46.45
COC(C)C(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228111	1	46	-1.0	-49.59	379.17	3.14	-46.45
COC(C)C(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228112	0	52	-1.0	-60.82	408.26	4.12	-56.70
COC(C)C(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228112	1	52	-1.0	-60.79	408.31	4.14	-56.65
O=C(NC1=CC=C(C2=CSN=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228113	0	40	-1.0	-44.66	360.19	4.84	-39.82
O=C(NC1=CC=C(C2=CSN=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228113	1	40	-1.0	-44.64	360.13	4.82	-39.82
O=C(NC1=CC=C(C2=CSN=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228114	0	40	-1.0	-46.07	340.90	4.37	-41.70
O=C(NC1=CC=C(C2=CSN=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228114	1	40	-1.0	-46.13	340.96	4.38	-41.75
O=C(NC1=CC=C(C2=CSN=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228115	0	37	-1.0	-54.46	325.47	3.44	-51.02
O=C(NC1=CC=C(C2=CSN=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228115	1	37	-1.0	-54.52	325.53	3.45	-51.07
CSCC[C@H](NC(=O)NC1=CC=C(C2=CSN=N2)C=C1)C1=N[N-]N=N1	REAL300020228116	0	40	-1.0	-57.27	369.29	3.37	-53.90
CSCC[C@H](NC(=O)NC1=CC=C(C2=CSN=N2)C=C1)C1=NN=N[N-]1	REAL300020228116	1	40	-1.0	-57.31	369.34	3.39	-53.92
O=C(NC1=CC=C(C2=CSN=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228117	0	37	-1.0	-45.73	326.87	3.50	-42.23
O=C(NC1=CC=C(C2=CSN=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228117	1	37	-1.0	-45.76	326.94	3.50	-42.26
O=C(NC1=CC=C(C2=CSN=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228118	0	43	-1.0	-49.04	346.64	5.30	-43.74
O=C(NC1=CC=C(C2=CSN=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228118	1	43	-1.0	-49.07	346.68	5.31	-43.76
NC(=O)C1CCCN1CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228119	0	54	-1.0	-47.47	413.31	1.39	-46.08
NC(=O)C1CCCN1CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228119	1	54	-1.0	-47.49	413.37	1.40	-46.09
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228119	1	55	0.0	-73.11	421.38	4.09	-69.02
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228119	1	55	0.0	-66.39	417.19	3.67	-62.72
NC(=O)C1CCCN1CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228120	0	51	-1.0	-58.42	397.99	0.50	-57.92
NC(=O)C1CCCN1CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228120	1	51	-1.0	-58.42	398.04	0.51	-57.91
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228120	1	52	0.0	-81.80	406.11	3.15	-78.65
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228120	1	52	0.0	-78.63	400.77	2.71	-75.92
NC(=O)C1CCCN1CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228121	0	51	-1.0	-48.34	399.32	0.55	-47.79
NC(=O)C1CCCN1CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228121	1	51	-1.0	-48.38	399.39	0.56	-47.82
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228121	1	52	0.0	-74.73	410.18	3.31	-71.42
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228121	1	52	0.0	-70.00	402.06	2.75	-67.25
CC1=C(C)OC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)=N1	REAL300020228122	0	47	-1.0	-54.10	400.54	4.70	-49.40
CC1=C(C)OC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=N1	REAL300020228122	1	47	-1.0	-54.09	400.48	4.68	-49.41
CC1=C(C)OC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300020228123	0	47	-1.0	-48.59	380.77	4.22	-44.37
CC1=C(C)OC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300020228123	1	47	-1.0	-48.58	380.72	4.20	-44.38
CC1=C(C)OC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020228124	0	44	-1.0	-60.43	367.11	3.31	-57.12
CC1=C(C)OC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020228124	1	44	-1.0	-60.36	367.05	3.29	-57.07
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC(C)=C(C)O2)C=C1)C1=NN=N[N-]1	REAL300020228125	0	47	-1.0	-50.88	410.66	3.27	-47.61
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC(C)=C(C)O2)C=C1)C1=N[N-]N=N1	REAL300020228125	1	47	-1.0	-50.92	410.60	3.26	-47.66
CC1=C(C)OC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020228126	0	44	-1.0	-48.57	368.82	3.31	-45.26
CC1=C(C)OC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020228126	1	44	-1.0	-48.59	368.74	3.30	-45.29
CC1=C(C)OC(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=N1	REAL300020228127	0	50	-1.0	-44.45	395.12	4.34	-40.11
CC1=C(C)OC(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=N1	REAL300020228127	1	50	-1.0	-44.44	395.08	4.33	-40.11
O=C(NC1=CC=CC=C1CN1C(=O)CCC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228128	0	48	-1.0	-43.63	374.26	6.00	-37.63
O=C(NC1=CC=CC=C1CN1C(=O)CCC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228128	1	48	-1.0	-43.63	374.32	6.02	-37.61
O=C(NC1=CC=CC=C1CN1C(=O)CCC1=O)N1CCCC1C1=N[N-]N=N1	REAL300020228129	0	45	-1.0	-54.90	364.20	5.13	-49.77
O=C(NC1=CC=CC=C1CN1C(=O)CCC1=O)N1CCCC1C1=NN=N[N-]1	REAL300020228129	1	45	-1.0	-54.93	364.26	5.14	-49.79
O=C(NC1=CC=CC=C1CN1C(=O)CCC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228130	0	45	-1.0	-46.14	363.81	5.13	-41.01
O=C(NC1=CC=CC=C1CN1C(=O)CCC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228130	1	45	-1.0	-46.20	363.88	5.14	-41.06
O=C(NC1=CC=CC=C1CN1C(=O)CCC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228131	0	51	-1.0	-54.21	381.35	7.06	-47.15
O=C(NC1=CC=CC=C1CN1C(=O)CCC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228131	1	51	-1.0	-54.22	381.38	7.08	-47.14
CCC(C)(C)OCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020228132	0	57	-1.0	-43.09	424.41	7.74	-35.35
CCC(C)(C)OCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020228132	1	57	-1.0	-43.17	424.47	7.76	-35.41
CCC(C)(C)OCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020228133	0	54	-1.0	-54.36	409.09	6.85	-47.51
CCC(C)(C)OCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020228133	1	54	-1.0	-54.35	409.15	6.86	-47.49
CCC(C)(C)OCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020228134	0	54	-1.0	-44.66	410.45	6.90	-37.76
CCC(C)(C)OCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020228134	1	54	-1.0	-44.67	410.52	6.92	-37.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020228135	0	46	-1.0	-61.69	392.94	7.64	-54.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020228135	1	46	-1.0	-61.67	392.89	7.61	-54.06
O=C(NC1=CC=CC(OC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228136	0	46	-1.0	-44.86	373.30	7.12	-37.74
O=C(NC1=CC=CC(OC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228136	1	46	-1.0	-44.87	373.35	7.13	-37.74
O=C(NC1=CC=CC(OC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228137	0	43	-1.0	-62.17	357.29	6.24	-55.93
O=C(NC1=CC=CC(OC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228137	1	43	-1.0	-62.19	357.35	6.25	-55.94
CSCC[C@H](NC(=O)NC1=CC=CC(OC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020228138	0	46	-1.0	-46.69	402.29	6.29	-40.40
CSCC[C@H](NC(=O)NC1=CC=CC(OC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020228138	1	46	-1.0	-46.73	402.34	6.30	-40.43
O=C(NC1=CC=CC(OC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228139	0	43	-1.0	-49.20	358.64	6.27	-42.93
O=C(NC1=CC=CC(OC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228139	1	43	-1.0	-49.25	358.72	6.29	-42.96
O=C(NC1=CC=CC(OC2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228140	0	49	-1.0	-43.58	381.68	7.42	-36.16
O=C(NC1=CC=CC(OC2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228140	1	49	-1.0	-43.60	381.75	7.41	-36.19
O=C(NC1=CC=C(CN2C=CC=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228141	0	45	-1.0	-56.83	386.63	6.49	-50.34
O=C(NC1=CC=C(CN2C=CC=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228141	1	45	-1.0	-56.82	386.58	6.47	-50.35
O=C(NC1=CC=C(CN2C=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228142	0	45	-1.0	-46.90	366.70	6.01	-40.89
O=C(NC1=CC=C(CN2C=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228142	1	45	-1.0	-46.90	366.64	5.99	-40.91
O=C(NC1=CC=C(CN2C=CC=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228143	0	42	-1.0	-58.40	352.59	5.03	-53.37
O=C(NC1=CC=C(CN2C=CC=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228143	1	42	-1.0	-58.39	352.53	5.02	-53.37
CSCC[C@H](NC(=O)NC1=CC=C(CN2C=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020228144	0	45	-1.0	-55.76	396.14	4.99	-50.77
CSCC[C@H](NC(=O)NC1=CC=C(CN2C=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020228144	1	45	-1.0	-55.79	396.08	4.98	-50.81
O=C(NC1=CC=C(CN2C=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228145	0	42	-1.0	-49.38	353.99	5.08	-44.30
O=C(NC1=CC=C(CN2C=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228145	1	42	-1.0	-49.36	353.91	5.06	-44.30
O=C(NC1=CC=C(CN2C=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228146	0	48	-1.0	-54.83	375.87	6.87	-47.96
O=C(NC1=CC=C(CN2C=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228146	1	48	-1.0	-54.85	375.82	6.85	-48.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2CCCC2)=C1	REAL300020228147	0	47	-1.0	-48.13	381.21	5.26	-42.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2CCCC2)=C1	REAL300020228147	1	47	-1.0	-48.13	381.15	5.24	-42.89
O=C(NC1=CC=CC(N2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228148	0	47	-1.0	-41.72	360.73	4.86	-36.86
O=C(NC1=CC=CC(N2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228148	1	47	-1.0	-41.72	360.79	4.87	-36.85
O=C(NC1=CC=CC(N2CCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228149	0	44	-1.0	-53.20	346.39	3.90	-49.30
O=C(NC1=CC=CC(N2CCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228149	1	44	-1.0	-53.19	346.45	3.91	-49.28
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCCC2)=C1)C1=N[N-]N=N1	REAL300020228150	0	47	-1.0	-50.64	390.32	3.83	-46.81
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCCC2)=C1)C1=NN=N[N-]1	REAL300020228150	1	47	-1.0	-50.66	390.38	3.85	-46.81
O=C(NC1=CC=CC(N2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228151	0	44	-1.0	-46.79	347.69	3.96	-42.83
O=C(NC1=CC=CC(N2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228151	1	44	-1.0	-46.81	347.77	3.97	-42.84
O=C(NC1=CC=CC(N2CCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228152	0	50	-1.0	-42.64	371.91	4.79	-37.85
O=C(NC1=CC=CC(N2CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228152	1	50	-1.0	-42.63	371.95	4.79	-37.84
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228153	0	44	-1.0	-49.08	384.07	9.78	-39.30
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228153	1	44	-1.0	-49.10	384.01	9.76	-39.34
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228154	0	44	-1.0	-51.09	364.90	9.30	-41.79
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228154	1	44	-1.0	-51.12	364.84	9.28	-41.84
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020228155	0	41	-1.0	-60.80	349.44	8.40	-52.40
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020228155	1	41	-1.0	-60.79	349.38	8.38	-52.41
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020228156	0	44	-1.0	-54.15	393.05	8.36	-45.79
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020228156	1	44	-1.0	-54.15	392.99	8.34	-45.81
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228157	0	41	-1.0	-50.64	350.96	8.47	-42.17
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228157	1	41	-1.0	-50.61	350.89	8.45	-42.16
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228158	0	47	-1.0	-56.04	373.12	10.16	-45.88
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228158	1	47	-1.0	-55.99	373.06	10.16	-45.83
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CN=C12	REAL300020228159	0	44	-1.0	-57.95	369.38	4.65	-53.30
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CN=C12	REAL300020228159	1	44	-1.0	-57.99	369.33	4.62	-53.37
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CN=C12	REAL300020228160	0	44	-1.0	-47.63	349.95	4.16	-43.47
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CN=C12	REAL300020228160	1	44	-1.0	-47.60	349.89	4.15	-43.45
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CN=C12	REAL300020228161	0	41	-1.0	-56.78	335.39	3.26	-53.52
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CN=C12	REAL300020228161	1	41	-1.0	-56.78	335.33	3.23	-53.55
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CN=C12	REAL300020228162	0	44	-1.0	-51.41	378.90	3.21	-48.20
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CN=C12	REAL300020228162	1	44	-1.0	-51.37	378.84	3.19	-48.18
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CN=C12	REAL300020228163	0	41	-1.0	-48.01	337.74	3.32	-44.69
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CN=C12	REAL300020228163	1	41	-1.0	-47.99	337.66	3.31	-44.68
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CN=C12	REAL300020228164	0	47	-1.0	-43.76	361.56	4.32	-39.44
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CN=C12	REAL300020228164	1	47	-1.0	-43.77	361.51	4.30	-39.47
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1NC(=O)C1=CC=CO1	REAL300020228165	0	49	-1.0	-52.09	398.75	5.16	-46.93
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1NC(=O)C1=CC=CO1	REAL300020228165	1	49	-1.0	-52.12	398.81	5.18	-46.94
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1NC(=O)C1=CC=CO1	REAL300020228166	0	46	-1.0	-64.60	382.89	4.27	-60.33
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1NC(=O)C1=CC=CO1	REAL300020228166	1	46	-1.0	-64.63	382.94	4.29	-60.34
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1NC(=O)C1=CC=CO1	REAL300020228167	0	46	-1.0	-53.75	384.21	4.33	-49.42
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1NC(=O)C1=CC=CO1	REAL300020228167	1	46	-1.0	-53.82	384.28	4.34	-49.48
O=C(NC1=CC=C(N2CCCCC2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228168	0	50	-1.0	-41.63	397.25	6.57	-35.06
O=C(NC1=CC=C(N2CCCCC2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228168	1	50	-1.0	-41.60	397.31	6.58	-35.02
O=C(NC1=CC=C(N2CCCCC2)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228169	0	47	-1.0	-53.94	381.95	5.65	-48.29
O=C(NC1=CC=C(N2CCCCC2)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228169	1	47	-1.0	-53.93	382.01	5.67	-48.26
O=C(NC1=CC=C(N2CCCCC2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228170	0	47	-1.0	-41.61	383.08	5.74	-35.87
O=C(NC1=CC=C(N2CCCCC2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228170	1	47	-1.0	-41.56	383.15	5.74	-35.82
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2OC(=O)C=CC2=C1	REAL300020228171	0	40	-1.0	-45.64	350.75	6.32	-39.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2OC(=O)C=CC2=C1	REAL300020228171	1	40	-1.0	-45.64	350.69	6.30	-39.34
O=C(NC1=CC=C2OC(=O)C=CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228172	0	40	-1.0	-50.01	331.94	5.77	-44.24
O=C(NC1=CC=C2OC(=O)C=CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228172	1	40	-1.0	-50.01	331.99	5.79	-44.22
O=C(NC1=CC=C2OC(=O)C=CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228173	0	37	-1.0	-53.66	316.71	4.85	-48.81
O=C(NC1=CC=C2OC(=O)C=CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228173	1	37	-1.0	-53.71	316.77	4.86	-48.85
CSCC[C@H](NC(=O)NC1=CC=C2OC(=O)C=CC2=C1)C1=N[N-]N=N1	REAL300020228174	0	40	-1.0	-50.62	360.19	4.81	-45.81
CSCC[C@H](NC(=O)NC1=CC=C2OC(=O)C=CC2=C1)C1=NN=N[N-]1	REAL300020228174	1	40	-1.0	-50.68	360.25	4.83	-45.85
O=C(NC1=CC=C2OC(=O)C=CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228175	0	37	-1.0	-46.91	318.07	4.91	-42.00
O=C(NC1=CC=C2OC(=O)C=CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228175	1	37	-1.0	-46.92	318.15	4.92	-42.00
O=C(NC1=CC=C2OC(=O)C=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228176	0	43	-1.0	-39.96	344.44	5.92	-34.04
O=C(NC1=CC=C2OC(=O)C=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228176	1	43	-1.0	-39.95	344.49	5.94	-34.01
CC(C)(C)C1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020228177	0	45	-1.0	-42.72	374.94	4.72	-38.00
CC(C)(C)C1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020228177	1	45	-1.0	-42.69	374.88	4.69	-38.00
CC(C)(C)C1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020228178	0	45	-1.0	-44.60	355.78	4.25	-40.35
CC(C)(C)C1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020228178	1	45	-1.0	-44.63	355.73	4.23	-40.40
CC(C)(C)C1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020228179	0	42	-1.0	-54.73	340.26	3.38	-51.35
CC(C)(C)C1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020228179	1	42	-1.0	-54.69	340.20	3.35	-51.34
CSCC[C@H](NC(=O)NC1=CN=C(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020228180	0	45	-1.0	-47.72	383.78	3.33	-44.39
CSCC[C@H](NC(=O)NC1=CN=C(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020228180	1	45	-1.0	-47.70	383.72	3.31	-44.39
CC(C)(C)C1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020228181	0	42	-1.0	-44.82	341.83	3.38	-41.44
CC(C)(C)C1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020228181	1	42	-1.0	-44.82	341.76	3.37	-41.45
CC(C)(C)C1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020228182	0	48	-1.0	-50.05	363.85	5.14	-44.91
CC(C)(C)C1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020228182	1	48	-1.0	-50.02	363.80	5.12	-44.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(F)=C1F	REAL300020228183	0	35	-1.0	-40.25	314.08	4.95	-35.30
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(F)=C1F	REAL300020228183	1	35	-1.0	-40.26	314.02	4.93	-35.33
O=C(NC1=CC=CC(F)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228184	0	35	-1.0	-41.50	296.44	4.44	-37.06
O=C(NC1=CC=CC(F)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228184	1	35	-1.0	-41.41	296.49	4.46	-36.95
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300020228185	0	35	-1.0	-42.81	324.22	3.53	-39.28
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL300020228185	1	35	-1.0	-42.77	324.28	3.54	-39.23
O=C(NC1=CC=CC(F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020228186	0	38	-1.0	-45.83	303.89	5.34	-40.49
O=C(NC1=CC=CC(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020228186	1	38	-1.0	-45.80	303.94	5.35	-40.45
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C(C(F)(F)F)=C1	REAL300020228187	0	38	-1.0	-49.58	347.42	5.82	-43.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C(C(F)(F)F)=C1	REAL300020228187	1	38	-1.0	-49.62	347.47	5.84	-43.78
O=C(NC1=CC=C(F)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228188	0	38	-1.0	-40.51	327.02	5.39	-35.12
O=C(NC1=CC=C(F)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228188	1	38	-1.0	-40.51	327.07	5.40	-35.11
O=C(NC1=CC=C(F)C(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228189	0	35	-1.0	-49.02	312.91	4.43	-44.59
O=C(NC1=CC=C(F)C(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228189	1	35	-1.0	-49.02	312.97	4.45	-44.57
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020228190	0	38	-1.0	-42.75	356.32	4.41	-38.34
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020228190	1	38	-1.0	-42.78	356.38	4.43	-38.35
O=C(NC1=CC=C(F)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228191	0	35	-1.0	-41.08	314.18	4.50	-36.58
O=C(NC1=CC=C(F)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228191	1	35	-1.0	-41.10	314.25	4.52	-36.58
O=C(NC1=CC=C(F)C(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228192	0	41	-1.0	-36.86	342.85	5.53	-31.33
O=C(NC1=CC=C(F)C(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228192	1	41	-1.0	-36.93	342.90	5.56	-31.37
O=C(NC1=CC=C(OCC2=CC=CC=C2F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228193	0	49	-1.0	-45.17	399.26	7.73	-37.44
O=C(NC1=CC=C(OCC2=CC=CC=C2F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228193	1	49	-1.0	-45.24	399.32	7.74	-37.50
O=C(NC1=CC=C(OCC2=CC=CC=C2F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228194	0	46	-1.0	-54.51	383.75	6.81	-47.70
O=C(NC1=CC=C(OCC2=CC=CC=C2F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228194	1	46	-1.0	-54.48	383.81	6.83	-47.65
O=C(NC1=CC=C(OCC2=CC=CC=C2F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228195	0	46	-1.0	-45.49	385.12	6.87	-38.62
O=C(NC1=CC=C(OCC2=CC=CC=C2F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228195	1	46	-1.0	-45.51	385.20	6.87	-38.64
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC(C)O1	REAL300020228196	0	54	-1.0	-43.62	410.49	4.61	-39.01
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC(C)O1	REAL300020228196	1	54	-1.0	-43.59	410.55	4.63	-38.96
CC1CN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC(C)O1	REAL300020228197	0	51	-1.0	-57.35	395.04	3.69	-53.66
CC1CN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC(C)O1	REAL300020228197	1	51	-1.0	-57.32	395.10	3.71	-53.61
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC(C)O1	REAL300020228198	0	51	-1.0	-44.58	396.59	3.74	-40.84
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020228198	1	51	-1.0	-44.57	396.66	3.75	-40.82
CC1CN(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC(C)O1	REAL300020228199	0	57	-1.0	-50.04	418.51	5.50	-44.54
CC1CN(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC(C)O1	REAL300020228199	1	57	-1.0	-49.99	418.56	5.50	-44.49
CS(=O)(=O)CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020228200	0	44	-1.0	-64.57	388.28	2.94	-61.63
CS(=O)(=O)CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020228200	1	44	-1.0	-64.61	388.34	2.96	-61.65
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020228201	0	44	-1.0	-56.03	369.29	2.47	-53.56
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020228201	1	44	-1.0	-56.12	369.35	2.49	-53.63
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020228202	0	41	-1.0	-69.16	353.50	1.61	-67.55
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020228202	1	41	-1.0	-69.21	353.56	1.62	-67.59
CSCC[C@H](NC(=O)NC1=CC=C(CS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020228203	0	44	-1.0	-57.06	397.07	1.58	-55.48
CSCC[C@H](NC(=O)NC1=CC=C(CS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020228203	1	44	-1.0	-57.07	397.12	1.59	-55.48
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020228204	0	41	-1.0	-55.36	354.89	1.66	-53.70
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020228204	1	41	-1.0	-55.40	354.97	1.66	-53.74
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020228205	0	47	-1.0	-66.60	377.07	3.41	-63.19
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020228205	1	47	-1.0	-66.63	377.12	3.40	-63.23
O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228206	0	44	-1.0	-45.15	388.09	6.60	-38.55
O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228206	1	44	-1.0	-45.13	388.03	6.58	-38.55
O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228207	0	44	-1.0	-44.71	368.81	6.12	-38.59
O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228207	1	44	-1.0	-44.75	368.87	6.13	-38.62
O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228208	0	41	-1.0	-59.29	353.25	5.24	-54.05
O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228208	1	41	-1.0	-59.33	353.31	5.25	-54.08
CSCC[C@H](NC(=O)NC1=CC=C2N=C(C3CC3)SC2=C1)C1=N[N-]N=N1	REAL300020228209	0	44	-1.0	-51.62	396.79	5.20	-46.42
CSCC[C@H](NC(=O)NC1=CC=C2N=C(C3CC3)SC2=C1)C1=NN=N[N-]1	REAL300020228209	1	44	-1.0	-51.60	396.85	5.22	-46.38
O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228210	0	41	-1.0	-47.23	354.67	5.30	-41.93
O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228210	1	41	-1.0	-47.24	354.75	5.30	-41.94
O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228211	0	47	-1.0	-43.11	381.28	6.27	-36.84
O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228211	1	47	-1.0	-43.05	381.29	6.29	-36.76
CC1=CC(C(=O)NC2CCCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228212	0	55	-1.0	-44.90	423.44	6.48	-38.42
CC1=CC(C(=O)NC2CCCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228212	1	55	-1.0	-44.90	423.50	6.49	-38.41
CC1=CC(C(=O)NC2CCCC2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228213	0	52	-1.0	-54.06	407.95	5.54	-48.52
CC1=CC(C(=O)NC2CCCC2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228213	1	52	-1.0	-53.98	408.01	5.57	-48.41
CC1=CC(C(=O)NC2CCCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228214	0	52	-1.0	-45.19	409.45	5.58	-39.61
CC1=CC(C(=O)NC2CCCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228214	1	52	-1.0	-45.18	409.52	5.59	-39.59
CCCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228215	0	45	-1.0	-41.78	374.08	5.94	-35.84
CCCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228215	1	45	-1.0	-41.75	374.02	5.91	-35.84
CCCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228216	0	45	-1.0	-43.71	355.28	5.45	-38.26
CCCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228216	1	45	-1.0	-43.75	355.34	5.46	-38.29
CCCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228217	0	42	-1.0	-53.71	339.85	4.54	-49.17
CCCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228217	1	42	-1.0	-53.72	339.91	4.55	-49.17
CCCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020228218	0	45	-1.0	-47.43	383.38	4.49	-42.94
CCCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020228218	1	45	-1.0	-47.49	383.44	4.50	-42.99
CCCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228219	0	42	-1.0	-43.43	341.21	4.59	-38.84
CCCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228219	1	42	-1.0	-43.41	341.28	4.61	-38.80
CCCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228220	0	48	-1.0	-44.00	367.53	5.68	-38.32
CCCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228220	1	48	-1.0	-44.01	367.58	5.68	-38.33
CS(=O)(=O)CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228221	0	44	-1.0	-51.31	382.70	3.41	-47.90
CS(=O)(=O)CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228221	1	44	-1.0	-51.33	382.64	3.38	-47.95
CS(=O)(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228222	0	44	-1.0	-53.99	363.98	2.63	-51.36
CS(=O)(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228222	1	44	-1.0	-53.97	364.04	2.65	-51.32
CS(=O)(=O)CC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228223	0	41	-1.0	-61.22	347.80	1.93	-59.29
CS(=O)(=O)CC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228223	1	41	-1.0	-61.19	347.86	1.96	-59.23
CSCC[C@H](NC(=O)NC1=CC=CC=C1CS(C)(=O)=O)C1=N[N-]N=N1	REAL300020228224	0	44	-1.0	-53.47	391.78	1.97	-51.50
CSCC[C@H](NC(=O)NC1=CC=CC=C1CS(C)(=O)=O)C1=NN=N[N-]1	REAL300020228224	1	44	-1.0	-53.45	391.84	1.98	-51.47
CS(=O)(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228225	0	41	-1.0	-53.75	349.15	1.98	-51.77
CS(=O)(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228225	1	41	-1.0	-53.74	349.22	1.99	-51.75
CS(=O)(=O)CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228226	0	47	-1.0	-47.10	379.06	2.87	-44.23
CS(=O)(=O)CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228226	1	47	-1.0	-47.11	379.12	2.89	-44.22
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C=C1	REAL300020228227	0	49	-1.0	-45.41	393.51	7.80	-37.61
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C=C1	REAL300020228227	1	49	-1.0	-45.42	393.57	7.81	-37.61
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C=C1	REAL300020228228	0	46	-1.0	-54.43	378.40	6.90	-47.53
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C=C1	REAL300020228228	1	46	-1.0	-54.45	378.46	6.92	-47.53
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=C(C)C=C2)C=C1)C1=N[N-]N=N1	REAL300020228229	0	49	-1.0	-48.97	422.07	6.87	-42.10
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=C(C)C=C2)C=C1)C1=NN=N[N-]1	REAL300020228229	1	49	-1.0	-49.01	422.13	6.89	-42.12
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020228230	0	46	-1.0	-44.97	380.76	6.96	-38.01
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020228230	1	46	-1.0	-44.97	380.83	6.96	-38.01
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C=C1	REAL300020228231	0	52	-1.0	-50.92	403.56	8.76	-42.16
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C=C1	REAL300020228231	1	52	-1.0	-50.96	403.62	8.76	-42.20
CC1=CC(OC2=NC=CC=N2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228232	0	47	-1.0	-49.68	384.55	3.46	-46.22
CC1=CC(OC2=NC=CC=N2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228232	1	47	-1.0	-49.66	384.50	3.44	-46.22
CC1=CC(OC2=NC=CC=N2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228233	0	44	-1.0	-61.62	367.40	2.62	-59.00
CC1=CC(OC2=NC=CC=N2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228233	1	44	-1.0	-61.62	367.34	2.59	-59.03
CC1=CC(OC2=NC=CC=N2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228234	0	44	-1.0	-50.07	368.93	2.66	-47.41
CC1=CC(OC2=NC=CC=N2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228234	1	44	-1.0	-50.10	368.85	2.64	-47.46
CC1=CC(OC2=NC=CC=N2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228235	0	50	-1.0	-56.12	391.70	4.44	-51.68
CC1=CC(OC2=NC=CC=N2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228235	1	50	-1.0	-56.07	391.64	4.44	-51.63
O=C(NC1=CC=C(N2N=CC=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228236	0	41	-1.0	-58.77	357.04	4.67	-54.10
O=C(NC1=CC=C(N2N=CC=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228236	1	41	-1.0	-58.77	356.98	4.64	-54.13
O=C(NC1=CC=C(N2N=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228237	0	41	-1.0	-47.98	338.18	4.17	-43.81
O=C(NC1=CC=C(N2N=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228237	1	41	-1.0	-47.99	338.13	4.15	-43.84
O=C(NC1=CC=C(N2N=CC=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228238	0	38	-1.0	-58.79	322.41	3.28	-55.51
O=C(NC1=CC=C(N2N=CC=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228238	1	38	-1.0	-58.79	322.35	3.26	-55.53
CSCC[C@H](NC(=O)NC1=CC=C(N2N=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020228239	0	41	-1.0	-49.93	366.22	3.21	-46.72
CSCC[C@H](NC(=O)NC1=CC=C(N2N=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020228239	1	41	-1.0	-49.92	366.16	3.20	-46.72
O=C(NC1=CC=C(N2N=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228240	0	38	-1.0	-48.22	324.06	3.30	-44.92
O=C(NC1=CC=C(N2N=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228240	1	38	-1.0	-48.18	323.99	3.30	-44.88
O=C(NC1=CC=C(N2N=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228241	0	44	-1.0	-55.11	343.54	5.13	-49.98
O=C(NC1=CC=C(N2N=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228241	1	44	-1.0	-55.13	343.50	5.11	-50.02
CCCCCCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228242	0	57	-1.0	-46.99	447.11	8.14	-38.85
CCCCCCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228242	1	57	-1.0	-46.99	447.16	8.15	-38.84
CCCCCCOCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228243	0	54	-1.0	-52.53	431.72	7.21	-45.32
CCCCCCOCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228243	1	54	-1.0	-52.54	431.78	7.22	-45.32
CCCCCCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228244	0	54	-1.0	-43.65	432.77	7.28	-36.37
CCCCCCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228244	1	54	-1.0	-43.61	432.84	7.29	-36.32
CCCCOCCOCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228245	0	55	-1.0	-54.84	444.21	5.87	-48.97
CCCCOCCOCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228245	1	55	-1.0	-54.83	444.26	5.89	-48.94
CCCCOCCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228246	0	55	-1.0	-45.81	445.25	5.94	-39.87
CCCCOCCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228246	1	55	-1.0	-45.85	445.32	5.96	-39.89
COC(=O)C1=CC=C(OC(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228247	0	51	-1.0	-50.85	406.16	5.95	-44.90
COC(=O)C1=CC=C(OC(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228247	1	51	-1.0	-50.84	406.22	5.97	-44.87
COC(=O)C1=CC=C(OC(C)C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228248	0	48	-1.0	-62.04	391.02	5.03	-57.01
COC(=O)C1=CC=C(OC(C)C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228248	1	48	-1.0	-62.07	391.08	5.04	-57.03
COC(=O)C1=CC=C(OC(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228249	0	48	-1.0	-50.85	392.53	5.06	-45.79
COC(=O)C1=CC=C(OC(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228249	1	48	-1.0	-50.86	392.61	5.08	-45.78
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)N=C1	REAL300020228250	0	46	-1.0	-47.67	390.78	5.08	-42.59
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)N=C1	REAL300020228250	1	46	-1.0	-47.68	390.72	5.06	-42.62
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)N=C1	REAL300020228251	0	43	-1.0	-56.78	375.79	4.19	-52.59
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)N=C1	REAL300020228251	1	43	-1.0	-56.81	375.73	4.18	-52.63
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020228252	0	43	-1.0	-48.22	377.35	4.24	-43.98
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)N=C1	REAL300020228252	1	43	-1.0	-48.23	377.27	4.24	-43.99
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC)=N1	REAL300020228253	0	42	-1.0	-40.83	360.51	0.37	-40.46
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC)=N1	REAL300020228253	1	42	-1.0	-40.84	360.45	0.35	-40.49
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=N1	REAL300020228254	0	42	-1.0	-42.09	340.63	-0.14	-42.23
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=N1	REAL300020228254	1	42	-1.0	-42.09	340.57	-0.16	-42.25
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OC)=N1	REAL300020228255	0	39	-1.0	-51.33	327.16	-1.01	-52.34
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OC)=N1	REAL300020228255	1	39	-1.0	-51.35	327.10	-1.04	-52.39
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=N1	REAL300020228256	0	42	-1.0	-45.03	370.71	-1.06	-46.09
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=N1	REAL300020228256	1	42	-1.0	-45.02	370.65	-1.07	-46.09
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=N1	REAL300020228257	0	39	-1.0	-42.37	328.55	-0.98	-43.35
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=N1	REAL300020228257	1	39	-1.0	-42.41	328.47	-0.99	-43.40
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=N1	REAL300020228258	0	45	-1.0	-47.19	348.54	0.77	-46.42
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=N1	REAL300020228258	1	45	-1.0	-47.25	348.50	0.76	-46.49
COC1=CC=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228259	0	40	-1.0	-59.31	351.46	4.61	-54.70
COC1=CC=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228259	1	40	-1.0	-59.27	351.41	4.58	-54.69
COC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228260	0	40	-1.0	-47.40	333.82	4.09	-43.31
COC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228260	1	40	-1.0	-47.44	333.88	4.10	-43.34
COC1=CC=C(C#N)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228261	0	37	-1.0	-56.79	317.29	3.20	-53.59
COC1=CC=C(C#N)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228261	1	37	-1.0	-56.79	317.35	3.21	-53.58
COC1=CC=C(C#N)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020228262	0	40	-1.0	-52.32	360.83	3.16	-49.16
COC1=CC=C(C#N)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020228262	1	40	-1.0	-52.35	360.88	3.17	-49.18
COC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228263	0	37	-1.0	-47.48	318.68	3.25	-44.23
COC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228263	1	37	-1.0	-47.48	318.75	3.26	-44.22
COC1=CC=C(C#N)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228264	0	43	-1.0	-41.50	344.98	4.36	-37.14
COC1=CC=C(C#N)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228264	1	43	-1.0	-41.50	345.03	4.37	-37.13
O=C(NC1=CC(C(=O)N2CCSCC2)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228265	0	47	-1.0	-51.74	379.43	5.04	-46.70
O=C(NC1=CC(C(=O)N2CCSCC2)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228265	1	47	-1.0	-51.72	379.48	5.06	-46.66
O=C(NC1=CC=CC(C(=O)N2CCSCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228266	0	47	-1.0	-55.67	380.76	5.08	-50.59
O=C(NC1=CC=CC(C(=O)N2CCSCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228266	1	47	-1.0	-55.69	380.83	5.09	-50.60
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C=C1	REAL300020228267	0	47	-1.0	-45.40	392.66	7.53	-37.87
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C=C1	REAL300020228267	1	47	-1.0	-45.36	392.72	7.55	-37.81
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C=C1	REAL300020228268	0	44	-1.0	-54.82	377.83	6.63	-48.19
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C=C1	REAL300020228268	1	44	-1.0	-54.80	377.89	6.64	-48.16
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020228269	0	44	-1.0	-46.32	379.37	6.69	-39.63
N#CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020228269	1	44	-1.0	-46.31	379.44	6.70	-39.61
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1C(=O)NC1=CC=CC=C1	REAL300020228270	0	49	-1.0	-55.36	392.09	6.28	-49.08
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1C(=O)NC1=CC=CC=C1	REAL300020228270	1	49	-1.0	-55.41	392.15	6.29	-49.12
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1C(=O)NC1=CC=CC=C1	REAL300020228271	0	49	-1.0	-46.17	393.78	6.33	-39.84
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1C(=O)NC1=CC=CC=C1	REAL300020228271	1	49	-1.0	-46.14	393.85	6.34	-39.80
CC1=CC=CN2C1=NC(C1=CC=CC=C1)=C2NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228272	0	48	-1.0	-55.83	391.12	9.11	-46.72
CC1=CC=CN2C1=NC(C1=CC=CC=C1)=C2NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228272	1	48	-1.0	-55.86	391.06	9.09	-46.77
CC1=CC=CN2C1=NC(C1=CC=CC=C1)=C2NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228273	0	48	-1.0	-45.98	392.45	9.18	-36.80
CC1=CC=CN2C1=NC(C1=CC=CC=C1)=C2NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228273	1	48	-1.0	-45.92	392.38	9.16	-36.76
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228274	0	51	-1.0	-43.45	394.86	6.27	-37.18
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228274	1	51	-1.0	-43.51	394.92	6.28	-37.23
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228275	0	48	-1.0	-53.10	383.70	5.44	-47.66
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228275	1	48	-1.0	-53.11	383.75	5.46	-47.65
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228276	0	48	-1.0	-44.01	385.07	5.50	-38.51
CC1=CC(N2CCSCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228276	1	48	-1.0	-44.04	385.15	5.51	-38.53
CC1=CC=C(C(N)=O)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228277	0	42	-1.0	-53.42	355.68	2.47	-50.95
CC1=CC=C(C(N)=O)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228277	1	42	-1.0	-53.46	355.63	2.45	-51.01
CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228278	0	42	-1.0	-54.51	334.88	1.89	-52.62
CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228278	1	42	-1.0	-54.52	334.94	1.90	-52.62
CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228279	0	39	-1.0	-67.72	320.80	1.00	-66.72
CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228279	1	39	-1.0	-67.72	320.86	1.03	-66.69
CSCC[C@H](NC(=O)NC1=CC(C(N)=O)=CC=C1C)C1=N[N-]N=N1	REAL300020228280	0	42	-1.0	-58.63	365.30	1.02	-57.61
CSCC[C@H](NC(=O)NC1=CC(C(N)=O)=CC=C1C)C1=NN=N[N-]1	REAL300020228280	1	42	-1.0	-58.62	365.36	1.04	-57.58
CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228281	0	39	-1.0	-57.53	322.13	1.07	-56.46
CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228281	1	39	-1.0	-57.54	322.21	1.09	-56.45
CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228282	0	45	-1.0	-62.11	343.75	2.77	-59.34
CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228282	1	45	-1.0	-62.14	343.80	2.77	-59.37
O=C(NC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020228283	0	49	-1.0	-46.77	396.21	6.27	-40.50
O=C(NC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020228283	1	49	-1.0	-46.79	396.26	6.28	-40.51
O=C(NC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020228284	0	46	-1.0	-65.06	380.36	5.39	-59.67
O=C(NC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020228284	1	46	-1.0	-65.07	380.41	5.41	-59.66
O=C(NC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020228285	0	46	-1.0	-51.93	381.88	5.45	-46.48
O=C(NC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020228285	1	46	-1.0	-51.94	381.96	5.46	-46.48
O=C(NC1=CC=CC=C1CN1CCSCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228286	0	51	-1.0	-42.65	398.65	6.43	-36.22
O=C(NC1=CC=CC=C1CN1CCSCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228286	1	51	-1.0	-42.66	398.70	6.45	-36.21
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228286	1	52	0.0	-71.44	397.31	8.16	-63.28
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228286	1	52	0.0	-71.45	397.36	8.17	-63.28
O=C(NC1=CC=CC=C1CN1CCSCC1)N1CCCC1C1=N[N-]N=N1	REAL300020228287	0	48	-1.0	-56.31	384.27	5.43	-50.88
O=C(NC1=CC=CC=C1CN1CCSCC1)N1CCCC1C1=NN=N[N-]1	REAL300020228287	1	48	-1.0	-56.30	384.33	5.46	-50.84
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)N1CCCC1C1=N[N-]N=N1	REAL300020228287	1	49	0.0	-74.16	383.13	7.40	-66.76
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)N1CCCC1C1=NN=N[N-]1	REAL300020228287	1	49	0.0	-74.20	383.19	7.43	-66.77
O=C(NC1=CC=CC=C1CN1CCSCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228288	0	48	-1.0	-45.43	384.46	5.02	-40.41
O=C(NC1=CC=CC=C1CN1CCSCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228288	1	48	-1.0	-45.47	384.54	5.03	-40.44
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228288	1	49	0.0	-73.75	384.44	7.38	-66.37
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228288	1	49	0.0	-73.79	384.52	7.39	-66.40
CC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020228289	0	45	-1.0	-46.54	379.40	5.79	-40.75
CC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020228289	1	45	-1.0	-46.56	379.34	5.77	-40.79
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020228290	0	45	-1.0	-42.05	359.91	5.31	-36.74
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020228290	1	45	-1.0	-42.07	359.96	5.32	-36.75
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020228291	0	42	-1.0	-49.91	343.74	4.40	-45.51
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020228291	1	42	-1.0	-49.89	343.80	4.41	-45.48
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C=C1F)C1=N[N-]N=N1	REAL300020228292	0	45	-1.0	-43.80	388.01	4.35	-39.45
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C=C1F)C1=NN=N[N-]1	REAL300020228292	1	45	-1.0	-43.84	388.06	4.37	-39.47
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020228293	0	42	-1.0	-41.36	345.83	4.43	-36.93
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020228293	1	42	-1.0	-41.35	345.90	4.44	-36.91
CC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020228294	0	48	-1.0	-43.21	368.88	5.33	-37.88
CC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020228294	1	48	-1.0	-43.24	368.92	5.33	-37.91
CC(C)C1=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2S1	REAL300020228295	0	46	-1.0	-52.38	398.71	6.37	-46.01
CC(C)C1=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2S1	REAL300020228295	1	46	-1.0	-52.37	398.65	6.34	-46.03
CC(C)C1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2S1	REAL300020228296	0	46	-1.0	-43.38	378.56	5.85	-37.53
CC(C)C1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2S1	REAL300020228296	1	46	-1.0	-43.38	378.61	5.87	-37.51
CC(C)C1=NC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2S1	REAL300020228297	0	43	-1.0	-55.95	364.62	4.91	-51.04
CC(C)C1=NC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2S1	REAL300020228297	1	43	-1.0	-55.91	364.68	4.93	-50.98
CSCC[C@H](NC(=O)NC1=CC=C2N=C(C(C)C)SC2=C1)C1=N[N-]N=N1	REAL300020228298	0	46	-1.0	-48.84	408.16	4.87	-43.97
CSCC[C@H](NC(=O)NC1=CC=C2N=C(C(C)C)SC2=C1)C1=NN=N[N-]1	REAL300020228298	1	46	-1.0	-48.79	408.21	4.89	-43.90
CC(C)C1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2S1	REAL300020228299	0	43	-1.0	-46.88	365.99	4.96	-41.92
CC(C)C1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2S1	REAL300020228299	1	43	-1.0	-46.88	366.07	4.97	-41.91
CC(C)C1=NC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2S1	REAL300020228300	0	49	-1.0	-42.56	392.43	6.00	-36.56
CC(C)C1=NC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2S1	REAL300020228300	1	49	-1.0	-42.51	392.47	6.00	-36.51
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228301	0	52	0.0	-80.93	410.13	7.74	-73.19
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228301	1	52	0.0	-80.95	410.19	7.76	-73.19
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228302	0	52	0.0	-75.30	411.54	7.80	-67.50
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228302	1	52	0.0	-75.31	411.61	7.81	-67.50
O=C(NC1=CC=C(OCC2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228303	0	55	-1.0	-44.43	418.86	7.89	-36.54
O=C(NC1=CC=C(OCC2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228303	1	55	-1.0	-44.45	418.92	7.91	-36.54
O=C(NC1=CC=C(OCC2CCCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228304	0	52	-1.0	-53.87	403.36	6.97	-46.90
O=C(NC1=CC=C(OCC2CCCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228304	1	52	-1.0	-53.84	403.42	6.99	-46.85
O=C(NC1=CC=C(OCC2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228305	0	52	-1.0	-43.85	404.73	7.03	-36.82
O=C(NC1=CC=C(OCC2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228305	1	52	-1.0	-43.78	404.80	7.04	-36.74
O=C(NC1=CC=C(OCC2CCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228306	0	58	-1.0	-49.10	426.65	8.80	-40.30
O=C(NC1=CC=C(OCC2CCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228306	1	58	-1.0	-49.10	426.70	8.81	-40.29
COC1=CC=C(C(=O)N2CCCC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228307	0	53	-1.0	-58.73	408.90	4.70	-54.03
COC1=CC=C(C(=O)N2CCCC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228307	1	53	-1.0	-58.71	408.96	4.71	-54.00
COC1=CC=C(C(=O)N2CCCC2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228308	0	50	-1.0	-71.21	393.02	3.81	-67.40
COC1=CC=C(C(=O)N2CCCC2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228308	1	50	-1.0	-71.21	393.08	3.83	-67.38
COC1=CC=C(C(=O)N2CCCC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228309	0	50	-1.0	-45.27	393.19	3.86	-41.41
COC1=CC=C(C(=O)N2CCCC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228309	1	50	-1.0	-45.29	393.27	3.86	-41.43
COC(=O)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020228310	0	48	-1.0	-53.39	409.95	5.83	-47.56
COC(=O)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020228310	1	48	-1.0	-53.38	410.01	5.86	-47.52
COC(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020228311	0	48	-1.0	-48.26	389.43	5.37	-42.89
COC(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020228311	1	48	-1.0	-48.27	389.49	5.39	-42.88
COC(=O)CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020228312	0	45	-1.0	-57.24	375.30	4.46	-52.78
COC(=O)CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020228312	1	45	-1.0	-57.23	375.36	4.47	-52.76
COC(=O)CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020228313	0	48	-1.0	-53.81	419.12	4.38	-49.43
COC(=O)CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020228313	1	48	-1.0	-53.84	419.17	4.40	-49.44
COC(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020228314	0	45	-1.0	-48.44	377.00	4.50	-43.94
COC(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020228314	1	45	-1.0	-48.43	377.08	4.50	-43.93
COC(=O)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020228315	0	51	-1.0	-53.76	398.88	6.26	-47.50
COC(=O)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020228315	1	51	-1.0	-53.78	398.93	6.26	-47.52
O=C(NC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228316	0	46	-1.0	-45.66	389.54	7.62	-38.04
O=C(NC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228316	1	46	-1.0	-45.68	389.60	7.64	-38.04
O=C(NC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228317	0	43	-1.0	-54.73	374.71	6.74	-47.99
O=C(NC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228317	1	43	-1.0	-54.75	374.77	6.76	-47.99
O=C(NC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228318	0	43	-1.0	-45.18	376.09	6.79	-38.39
O=C(NC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228318	1	43	-1.0	-45.17	376.16	6.81	-38.36
CC1=C(Cl)C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020228319	0	38	-1.0	-40.47	352.79	6.30	-34.17
CC1=C(Cl)C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020228319	1	38	-1.0	-40.49	352.73	6.28	-34.21
CC1=C(Cl)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020228320	0	38	-1.0	-42.06	333.54	5.82	-36.24
CC1=C(Cl)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020228320	1	38	-1.0	-42.07	333.60	5.84	-36.23
CC1=C(Cl)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020228321	0	35	-1.0	-50.40	318.23	4.91	-45.49
CC1=C(Cl)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020228321	1	35	-1.0	-50.37	318.28	4.92	-45.45
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020228322	0	38	-1.0	-45.40	361.50	4.91	-40.49
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020228322	1	38	-1.0	-45.40	361.55	4.92	-40.48
CC1=C(Cl)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020228323	0	35	-1.0	-42.30	319.59	4.96	-37.34
CC1=C(Cl)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020228323	1	35	-1.0	-42.28	319.67	4.97	-37.31
CC1=C(Cl)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020228324	0	41	-1.0	-38.00	346.03	5.99	-32.01
CC1=C(Cl)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020228324	1	41	-1.0	-37.94	346.07	6.00	-31.94
CC1=NOC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228325	0	37	-1.0	-45.42	317.99	3.54	-41.88
CC1=NOC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228325	1	37	-1.0	-45.38	317.93	3.51	-41.87
CSCC[C@H](NC(=O)NC1=C(C)ON=C1C)C1=N[N-]N=N1	REAL300020228326	0	37	-1.0	-46.24	325.62	2.03	-44.21
CSCC[C@H](NC(=O)NC1=C(C)ON=C1C)C1=NN=N[N-]1	REAL300020228326	1	37	-1.0	-46.25	325.68	2.05	-44.20
CC1=NOC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228327	0	40	-1.0	-47.61	305.18	3.99	-43.62
CC1=NOC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228327	1	40	-1.0	-47.60	305.14	4.00	-43.60
CCOCCOC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228328	0	49	-1.0	-42.72	409.92	5.55	-37.17
CCOCCOC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228328	1	49	-1.0	-42.75	409.98	5.57	-37.18
CCOCCOC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228329	0	46	-1.0	-51.56	394.59	4.65	-46.91
CCOCCOC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228329	1	46	-1.0	-51.57	394.64	4.65	-46.92
CCOCCOC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228330	0	46	-1.0	-41.39	395.97	4.68	-36.71
CCOCCOC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228330	1	46	-1.0	-41.42	396.04	4.70	-36.72
CC1=CC(SC2CCCCC2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228331	0	52	-1.0	-53.19	406.42	8.59	-44.60
CC1=CC(SC2CCCCC2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228331	1	52	-1.0	-53.23	406.48	8.61	-44.62
CC1=CC(SC2CCCCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228332	0	52	-1.0	-43.08	406.33	8.60	-34.48
CC1=CC(SC2CCCCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228332	1	52	-1.0	-43.09	406.41	8.61	-34.48
CC1CCCC(OCC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C1	REAL300020228333	0	58	-1.0	-43.49	440.39	8.46	-35.03
CC1CCCC(OCC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C1	REAL300020228333	1	58	-1.0	-43.54	440.44	8.47	-35.07
CC1CCCC(OCC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C1	REAL300020228334	0	55	-1.0	-52.86	426.40	7.50	-45.36
CC1CCCC(OCC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C1	REAL300020228334	1	55	-1.0	-52.85	426.46	7.52	-45.33
CC1CCCC(OCC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C1	REAL300020228335	0	55	-1.0	-43.67	427.44	7.58	-36.09
CC1CCCC(OCC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C1	REAL300020228335	1	55	-1.0	-43.71	427.51	7.59	-36.12
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228336	0	52	-1.0	-52.31	398.49	6.15	-46.16
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228336	1	52	-1.0	-52.33	398.54	6.17	-46.16
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228337	0	49	-1.0	-54.98	381.82	5.25	-49.73
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228337	1	49	-1.0	-54.98	381.88	5.27	-49.71
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228338	0	49	-1.0	-53.14	383.33	5.30	-47.84
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228338	1	49	-1.0	-53.14	383.41	5.32	-47.82
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228339	0	55	-1.0	-46.20	404.85	6.31	-39.89
CC1=CC(C(=O)N2CCCC2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228339	1	55	-1.0	-46.15	404.96	6.32	-39.83
COCCOC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228340	0	46	-1.0	-42.80	388.07	4.60	-38.20
COCCOC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228340	1	46	-1.0	-42.82	388.12	4.61	-38.21
COCCOC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228341	0	43	-1.0	-51.50	372.73	3.68	-47.82
COCCOC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228341	1	43	-1.0	-51.51	372.79	3.69	-47.82
COCCOC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228342	0	43	-1.0	-41.63	374.11	3.72	-37.91
COCCOC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228342	1	43	-1.0	-41.62	374.19	3.73	-37.89
COCCOC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228343	0	49	-1.0	-47.00	395.94	5.46	-41.54
COCCOC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228343	1	49	-1.0	-47.00	395.99	5.46	-41.54
O=C(NC1=CC=CC(COC2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228344	0	55	-1.0	-44.86	421.77	7.70	-37.16
O=C(NC1=CC=CC(COC2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228344	1	55	-1.0	-44.86	421.82	7.71	-37.15
O=C(NC1=CC=CC(COC2CCCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228345	0	52	-1.0	-52.66	407.63	6.74	-45.92
O=C(NC1=CC=CC(COC2CCCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228345	1	52	-1.0	-52.65	407.69	6.76	-45.89
O=C(NC1=CC=CC(COC2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228346	0	52	-1.0	-43.85	408.95	6.80	-37.05
O=C(NC1=CC=CC(COC2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228346	1	52	-1.0	-43.88	409.02	6.80	-37.08
O=C(NC1=CC=CC(COC2CCCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228347	0	58	-1.0	-44.79	437.36	7.84	-36.95
O=C(NC1=CC=CC(COC2CCCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228347	1	58	-1.0	-44.74	437.41	7.87	-36.87
CCOC(=O)C1=C(C)C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020228348	0	44	-1.0	-42.89	386.81	6.07	-36.82
CCOC(=O)C1=C(C)C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020228348	1	44	-1.0	-42.87	386.87	6.10	-36.77
CCOC(=O)C1=C(C)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020228349	0	44	-1.0	-44.05	367.62	5.62	-38.43
CCOC(=O)C1=C(C)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020228349	1	44	-1.0	-44.06	367.67	5.64	-38.42
CCOC(=O)C1=C(C)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020228350	0	41	-1.0	-52.39	352.17	4.71	-47.68
CCOC(=O)C1=C(C)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020228350	1	41	-1.0	-52.37	352.23	4.74	-47.63
CCOC(=O)C1=C(C)C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020228351	0	44	-1.0	-46.10	395.79	4.67	-41.43
CCOC(=O)C1=C(C)C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020228351	1	44	-1.0	-46.13	395.84	4.68	-41.45
CCOC(=O)C1=C(C)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020228352	0	41	-1.0	-44.00	353.64	4.75	-39.25
CCOC(=O)C1=C(C)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020228352	1	41	-1.0	-44.01	353.71	4.77	-39.24
CCOC(=O)C1=C(C)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020228353	0	47	-1.0	-49.29	376.18	6.61	-42.68
CCOC(=O)C1=C(C)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020228353	1	47	-1.0	-49.26	376.23	6.62	-42.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN=C1N1C=NC=N1	REAL300020228354	0	40	-1.0	-45.76	349.77	7.31	-38.45
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN=C1N1C=NC=N1	REAL300020228354	1	40	-1.0	-45.75	349.72	7.28	-38.47
O=C(NC1=CC=CN=C1N1C=NC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228355	0	40	-1.0	-45.04	330.73	6.80	-38.24
O=C(NC1=CC=CN=C1N1C=NC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228355	1	40	-1.0	-45.01	330.67	6.78	-38.23
O=C(NC1=CC=CN=C1N1C=NC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020228356	0	37	-1.0	-54.82	314.43	5.85	-48.97
O=C(NC1=CC=CN=C1N1C=NC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020228356	1	37	-1.0	-54.76	314.37	5.83	-48.93
CSCC[C@H](NC(=O)NC1=CC=CN=C1N1C=NC=N1)C1=NN=N[N-]1	REAL300020228357	0	40	-1.0	-49.41	359.03	5.84	-43.57
CSCC[C@H](NC(=O)NC1=CC=CN=C1N1C=NC=N1)C1=N[N-]N=N1	REAL300020228357	1	40	-1.0	-49.43	358.97	5.83	-43.60
O=C(NC1=CC=CN=C1N1C=NC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228358	0	37	-1.0	-44.79	315.79	5.91	-38.88
O=C(NC1=CC=CN=C1N1C=NC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228358	1	37	-1.0	-44.77	315.72	5.89	-38.88
O=C(NC1=CC=CN=C1N1C=NC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228359	0	43	-1.0	-51.35	338.21	7.75	-43.60
O=C(NC1=CC=CN=C1N1C=NC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228359	1	43	-1.0	-51.30	338.15	7.74	-43.56
O=C(NC1=CC=C2OC(C(F)(F)F)=NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228360	0	40	-1.0	-48.41	347.12	2.38	-46.03
O=C(NC1=CC=C2OC(C(F)(F)F)=NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228360	1	40	-1.0	-48.43	347.06	2.37	-46.06
O=C(NC1=CC=C2OC(C(F)(F)F)=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228361	0	37	-1.0	-49.00	331.94	1.44	-47.56
O=C(NC1=CC=C2OC(C(F)(F)F)=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228361	1	37	-1.0	-49.00	331.88	1.42	-47.58
O=C(NC1=CC=C2OC(C(F)(F)F)=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228362	0	37	-1.0	-49.57	333.48	1.51	-48.06
O=C(NC1=CC=C2OC(C(F)(F)F)=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228362	1	37	-1.0	-49.55	333.40	1.49	-48.06
O=C(NC1=CC=C2OC(C(F)(F)F)=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228363	0	43	-1.0	-44.20	353.73	3.26	-40.94
O=C(NC1=CC=C2OC(C(F)(F)F)=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228363	1	43	-1.0	-44.21	353.70	3.23	-40.98
O=C(NC1=CC(CN2CCCCC2=O)=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228364	0	52	-1.0	-48.91	404.69	6.64	-42.27
O=C(NC1=CC(CN2CCCCC2=O)=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228364	1	52	-1.0	-48.94	404.74	6.66	-42.28
O=C(NC1=CC(CN2CCCCC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228365	0	49	-1.0	-59.35	389.25	5.72	-53.63
O=C(NC1=CC(CN2CCCCC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228365	1	49	-1.0	-59.33	389.31	5.74	-53.59
O=C(NC1=CC(CN2CCCCC2=O)=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228366	0	49	-1.0	-48.61	390.32	5.78	-42.83
O=C(NC1=CC(CN2CCCCC2=O)=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228366	1	49	-1.0	-48.64	390.40	5.80	-42.84
O=C(NC1=CC(CN2CCCCC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228367	0	55	-1.0	-55.50	418.98	6.83	-48.67
O=C(NC1=CC(CN2CCCCC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228367	1	55	-1.0	-55.54	419.03	6.86	-48.68
CCC(C)SC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020228368	0	51	-1.0	-44.01	419.14	8.79	-35.22
CCC(C)SC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020228368	1	51	-1.0	-44.03	419.20	8.81	-35.22
CCC(C)SC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020228369	0	51	-1.0	-42.59	404.86	8.48	-34.11
CCC(C)SC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020228369	1	51	-1.0	-42.62	404.92	8.49	-34.13
CCC(C)SC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020228370	0	48	-1.0	-54.98	391.31	7.60	-47.38
CCC(C)SC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020228370	1	48	-1.0	-54.97	391.37	7.63	-47.34
CCC(C)SC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020228371	0	51	-1.0	-46.14	428.12	7.34	-38.80
CCC(C)SC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020228371	1	51	-1.0	-46.14	428.17	7.35	-38.79
CCC(C)SC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020228372	0	48	-1.0	-43.23	392.83	7.63	-35.60
CCC(C)SC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020228372	1	48	-1.0	-43.27	392.90	7.65	-35.62
CCC(C)SC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020228373	0	54	-1.0	-49.91	406.91	9.25	-40.66
CCC(C)SC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020228373	1	54	-1.0	-49.96	406.95	9.25	-40.71
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC(N2CCOCC2)=C1	REAL300020228374	0	48	-1.0	-43.72	393.62	3.63	-40.09
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC(N2CCOCC2)=C1	REAL300020228374	1	48	-1.0	-43.75	393.68	3.65	-40.10
O=C(NC1=CC(F)=CC(N2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228375	0	48	-1.0	-45.71	374.45	3.18	-42.53
O=C(NC1=CC(F)=CC(N2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228375	1	48	-1.0	-45.75	374.50	3.20	-42.55
O=C(NC1=CC(F)=CC(N2CCOCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228376	0	45	-1.0	-57.53	358.86	2.29	-55.24
O=C(NC1=CC(F)=CC(N2CCOCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228376	1	45	-1.0	-57.54	358.92	2.31	-55.23
CSCC[C@H](NC(=O)NC1=CC(F)=CC(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL300020228377	0	48	-1.0	-49.96	402.38	2.26	-47.70
CSCC[C@H](NC(=O)NC1=CC(F)=CC(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL300020228377	1	48	-1.0	-49.92	402.44	2.28	-47.64
O=C(NC1=CC(F)=CC(N2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228378	0	45	-1.0	-46.05	360.27	2.34	-43.71
O=C(NC1=CC(F)=CC(N2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228378	1	45	-1.0	-46.05	360.34	2.35	-43.70
O=C(NC1=CC(F)=CC(N2CCOCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228379	0	51	-1.0	-42.10	386.92	3.36	-38.74
O=C(NC1=CC(F)=CC(N2CCOCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228379	1	51	-1.0	-42.11	386.97	3.37	-38.74
CS(=O)(=O)CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228380	0	44	-1.0	-64.12	388.19	2.99	-61.13
CS(=O)(=O)CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228380	1	44	-1.0	-64.11	388.13	2.96	-61.15
CS(=O)(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228381	0	44	-1.0	-55.89	369.20	2.49	-53.40
CS(=O)(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228381	1	44	-1.0	-55.85	369.26	2.50	-53.35
CS(=O)(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228382	0	41	-1.0	-63.03	353.83	1.58	-61.45
CS(=O)(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228382	1	41	-1.0	-63.02	353.89	1.60	-61.42
CSCC[C@H](NC(=O)NC1=CC=CC(CS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020228383	0	44	-1.0	-56.42	397.06	1.57	-54.85
CSCC[C@H](NC(=O)NC1=CC=CC(CS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020228383	1	44	-1.0	-56.40	397.12	1.58	-54.82
CS(=O)(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228384	0	41	-1.0	-54.33	354.88	1.64	-52.69
CS(=O)(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228384	1	41	-1.0	-54.34	354.95	1.66	-52.68
CS(=O)(=O)CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228385	0	47	-1.0	-58.64	377.18	3.37	-55.27
CS(=O)(=O)CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228385	1	47	-1.0	-58.69	377.24	3.39	-55.30
CC(C)CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020228386	0	50	-1.0	-54.07	406.76	8.26	-45.81
CC(C)CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020228386	1	50	-1.0	-54.05	406.71	8.24	-45.81
CC(C)CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020228387	0	50	-1.0	-43.64	387.71	7.79	-35.85
CC(C)CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020228387	1	50	-1.0	-43.65	387.77	7.80	-35.85
CC(C)CCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020228388	0	47	-1.0	-55.78	371.92	6.90	-48.88
CC(C)CCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020228388	1	47	-1.0	-55.80	371.98	6.91	-48.89
CSCC[C@H](NC(=O)NC1=CC=C(CCC(C)C)C=C1)C1=N[N-]N=N1	REAL300020228389	0	50	-1.0	-48.63	415.74	6.83	-41.80
CSCC[C@H](NC(=O)NC1=CC=C(CCC(C)C)C=C1)C1=NN=N[N-]1	REAL300020228389	1	50	-1.0	-48.62	415.79	6.85	-41.77
CC(C)CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020228390	0	47	-1.0	-43.68	373.32	6.96	-36.72
CC(C)CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020228390	1	47	-1.0	-43.71	373.40	6.96	-36.75
CC(C)CCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020228391	0	53	-1.0	-50.45	396.18	8.79	-41.66
CC(C)CCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020228391	1	53	-1.0	-50.40	396.23	8.80	-41.60
CC1=CC(C(=O)N2CCCCC2C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228392	0	55	-1.0	-54.15	415.71	6.79	-47.36
CC1=CC(C(=O)N2CCCCC2C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228392	1	55	-1.0	-54.17	415.77	6.81	-47.36
CC1=CC(C(=O)N2CCCCC2C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228393	0	55	-1.0	-44.90	415.95	6.81	-38.09
CC1=CC(C(=O)N2CCCCC2C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228393	1	55	-1.0	-44.92	416.02	6.83	-38.09
O=C(NC1=CC=C2OCCC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228394	0	40	-1.0	-45.67	338.80	4.67	-41.00
O=C(NC1=CC=C2OCCC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228394	1	40	-1.0	-45.66	338.74	4.64	-41.02
O=C(NC1=CC=C2OCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228395	0	40	-1.0	-45.47	320.08	4.10	-41.37
O=C(NC1=CC=C2OCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228395	1	40	-1.0	-45.44	320.14	4.12	-41.32
O=C(NC1=CC=C2OCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228396	0	37	-1.0	-54.78	304.68	3.21	-51.57
O=C(NC1=CC=C2OCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228396	1	37	-1.0	-54.82	304.74	3.22	-51.60
CSCC[C@H](NC(=O)NC1=CC=C2OCCC2=C1)C1=N[N-]N=N1	REAL300020228397	0	40	-1.0	-50.23	348.21	3.16	-47.07
CSCC[C@H](NC(=O)NC1=CC=C2OCCC2=C1)C1=NN=N[N-]1	REAL300020228397	1	40	-1.0	-50.25	348.27	3.17	-47.08
O=C(NC1=CC=C2OCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228398	0	37	-1.0	-45.22	306.07	3.26	-41.96
O=C(NC1=CC=C2OCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228398	1	37	-1.0	-45.25	306.14	3.27	-41.98
O=C(NC1=CC=C2OCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228399	0	43	-1.0	-42.32	332.52	4.31	-38.01
O=C(NC1=CC=C2OCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228399	1	43	-1.0	-42.29	332.60	4.31	-37.98
COCCN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC1=O	REAL300020228400	0	45	-1.0	-57.37	384.09	4.20	-53.17
COCCN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC1=O	REAL300020228400	1	45	-1.0	-57.35	384.03	4.18	-53.17
COCCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC1=O	REAL300020228401	0	45	-1.0	-52.88	360.01	3.52	-49.36
COCCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC1=O	REAL300020228401	1	45	-1.0	-52.87	360.07	3.54	-49.33
COCCN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC1=O	REAL300020228402	0	42	-1.0	-63.73	349.53	2.72	-61.01
COCCN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC1=O	REAL300020228402	1	42	-1.0	-63.70	349.59	2.74	-60.96
COCCN1C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CC1=O	REAL300020228403	0	45	-1.0	-51.64	394.40	2.18	-49.46
COCCN1C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CC1=O	REAL300020228403	1	45	-1.0	-51.68	394.46	2.19	-49.49
COCCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300020228404	0	42	-1.0	-47.85	352.72	2.25	-45.60
COCCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300020228404	1	42	-1.0	-47.89	352.79	2.26	-45.63
COCCN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC1=O	REAL300020228405	0	48	-1.0	-42.88	374.72	3.82	-39.06
COCCN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC1=O	REAL300020228405	1	48	-1.0	-42.87	374.77	3.82	-39.05
CSC1=NN=NN1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228406	0	44	-1.0	-52.86	374.18	4.73	-48.13
CSC1=NN=NN1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228406	1	44	-1.0	-52.81	374.12	4.71	-48.10
CSC1=NN=NN1C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228407	0	41	-1.0	-71.75	358.78	3.81	-67.94
CSC1=NN=NN1C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228407	1	41	-1.0	-71.72	358.72	3.80	-67.92
CSC1=NN=NN1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228408	0	41	-1.0	-56.32	360.43	3.84	-52.48
CSC1=NN=NN1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228408	1	41	-1.0	-56.30	360.35	3.82	-52.48
CCN1CCN(C(=O)C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020228409	0	54	-1.0	-63.08	416.27	3.53	-59.55
CCN1CCN(C(=O)C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020228409	1	54	-1.0	-63.08	416.33	3.53	-59.55
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020228409	1	55	0.0	-92.69	417.42	5.77	-86.92
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020228409	1	55	0.0	-92.71	417.48	5.79	-86.92
CCN1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020228410	0	54	-1.0	-49.67	417.83	3.59	-46.08
CCN1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020228410	1	54	-1.0	-49.70	417.90	3.59	-46.11
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020228410	1	55	0.0	-82.38	418.98	5.82	-76.56
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020228410	1	55	0.0	-82.41	419.05	5.82	-76.59
CC1=CC(C(N)=O)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228411	0	42	-1.0	-46.61	355.98	2.52	-44.09
CC1=CC(C(N)=O)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228411	1	42	-1.0	-46.61	355.92	2.50	-44.11
CC1=CC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228412	0	42	-1.0	-45.88	336.94	1.98	-43.90
CC1=CC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228412	1	42	-1.0	-45.83	337.00	2.00	-43.83
CC1=CC(C(N)=O)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228413	0	39	-1.0	-54.33	320.51	1.04	-53.29
CC1=CC(C(N)=O)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228413	1	39	-1.0	-54.35	320.57	1.07	-53.28
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)C=C1C)C1=N[N-]N=N1	REAL300020228414	0	42	-1.0	-47.96	364.20	0.99	-46.97
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)C=C1C)C1=NN=N[N-]1	REAL300020228414	1	42	-1.0	-47.94	364.26	1.01	-46.93
CC1=CC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228415	0	39	-1.0	-45.84	322.02	1.09	-44.75
CC1=CC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228415	1	39	-1.0	-45.83	322.10	1.10	-44.73
CC1=CC(C(N)=O)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228416	0	45	-1.0	-50.83	344.48	2.93	-47.90
CC1=CC(C(N)=O)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228416	1	45	-1.0	-50.85	344.54	2.93	-47.92
CC1=CC=NN1C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228417	0	45	-1.0	-66.66	380.35	6.41	-60.25
CC1=CC=NN1C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228417	1	45	-1.0	-66.63	380.29	6.39	-60.24
CC1=CC=NN1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228418	0	45	-1.0	-52.31	361.09	5.93	-46.38
CC1=CC=NN1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228418	1	45	-1.0	-52.34	361.14	5.95	-46.39
CC1=CC=NN1C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228419	0	42	-1.0	-70.99	345.69	5.01	-65.98
CC1=CC=NN1C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228419	1	42	-1.0	-70.99	345.75	5.03	-65.96
CSCC[C@H](NC(=O)NC1=CC=CC(N2N=CC=C2C)=C1)C1=N[N-]N=N1	REAL300020228420	0	45	-1.0	-55.76	389.22	4.98	-50.78
CSCC[C@H](NC(=O)NC1=CC=CC(N2N=CC=C2C)=C1)C1=NN=N[N-]1	REAL300020228420	1	45	-1.0	-55.80	389.27	5.00	-50.80
CC1=CC=NN1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228421	0	42	-1.0	-55.20	347.32	5.04	-50.16
CC1=CC=NN1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228421	1	42	-1.0	-55.17	347.40	5.05	-50.12
CC1=CC=NN1C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228422	0	48	-1.0	-48.05	375.67	6.09	-41.96
CC1=CC=NN1C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228422	1	48	-1.0	-48.02	375.72	6.12	-41.90
CN(CC1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228423	0	53	-1.0	-43.19	414.63	7.83	-35.36
CN(CC1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228423	1	53	-1.0	-43.27	414.69	7.85	-35.42
CN(CC1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228424	0	50	-1.0	-54.28	400.01	6.84	-47.44
CN(CC1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228424	1	50	-1.0	-54.29	400.07	6.86	-47.43
CN(CC1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228425	0	50	-1.0	-43.51	401.40	6.89	-36.62
CN(CC1=CC=CC=C1)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228425	1	50	-1.0	-43.50	401.47	6.91	-36.59
CC1=CC(C(=O)NCC(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228426	0	54	-1.0	-44.95	420.74	5.82	-39.13
CC1=CC(C(=O)NCC(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228426	1	54	-1.0	-44.99	420.80	5.83	-39.16
CC1=CC(C(=O)NCC(C)C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228427	0	51	-1.0	-53.74	404.31	4.89	-48.85
CC1=CC(C(=O)NCC(C)C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228427	1	51	-1.0	-53.74	404.37	4.92	-48.82
CC1=CC(C(=O)NCC(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228428	0	51	-1.0	-44.92	405.82	4.92	-40.00
CC1=CC(C(=O)NCC(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228428	1	51	-1.0	-44.90	405.89	4.93	-39.97
CC1=CC(C(=O)NCC(C)C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228429	0	57	-1.0	-50.36	428.28	6.76	-43.60
CC1=CC(C(=O)NCC(C)C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228429	1	57	-1.0	-50.34	428.33	6.76	-43.58
CCN1N=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020228430	0	44	-1.0	-46.15	374.06	5.69	-40.46
CCN1N=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020228430	1	44	-1.0	-46.16	374.00	5.67	-40.49
CCN1N=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020228431	0	44	-1.0	-44.51	354.12	5.20	-39.31
CCN1N=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020228431	1	44	-1.0	-44.48	354.06	5.18	-39.30
CCN1N=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020228432	0	41	-1.0	-59.81	339.75	4.27	-55.54
CCN1N=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020228432	1	41	-1.0	-59.78	339.70	4.26	-55.52
CCN1N=CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C21	REAL300020228433	0	44	-1.0	-48.87	383.59	4.20	-44.67
CCN1N=CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C21	REAL300020228433	1	44	-1.0	-48.88	383.53	4.19	-44.69
CCN1N=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020228434	0	41	-1.0	-48.28	341.45	4.28	-44.00
CCN1N=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020228434	1	41	-1.0	-48.33	341.38	4.28	-44.05
CCN1N=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020228435	0	47	-1.0	-43.41	367.74	5.30	-38.11
CCN1N=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020228435	1	47	-1.0	-43.52	367.66	5.28	-38.24
COCCN1N=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020228436	0	48	-1.0	-45.73	407.73	4.74	-40.99
COCCN1N=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020228436	1	48	-1.0	-45.70	407.68	4.72	-40.98
COCCN1N=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020228437	0	48	-1.0	-47.41	389.01	4.21	-43.20
COCCN1N=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020228437	1	48	-1.0	-47.41	388.95	4.19	-43.22
COCCN1N=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020228438	0	45	-1.0	-58.78	373.74	3.27	-55.51
COCCN1N=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020228438	1	45	-1.0	-58.74	373.68	3.26	-55.48
COCCN1N=CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C21	REAL300020228439	0	48	-1.0	-47.67	417.26	3.25	-44.42
COCCN1N=CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C21	REAL300020228439	1	48	-1.0	-47.68	417.20	3.24	-44.44
COCCN1N=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020228440	0	45	-1.0	-49.59	375.11	3.33	-46.26
COCCN1N=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020228440	1	45	-1.0	-49.60	375.04	3.32	-46.28
COCCN1N=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020228441	0	51	-1.0	-43.54	401.41	4.34	-39.20
COCCN1N=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020228441	1	51	-1.0	-43.97	401.33	4.33	-39.64
CC(C)N1N=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020228442	0	47	-1.0	-53.08	393.74	6.37	-46.71
CC(C)N1N=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020228442	1	47	-1.0	-53.03	393.68	6.35	-46.68
CC(C)N1N=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020228443	0	47	-1.0	-45.28	375.02	5.84	-39.44
CC(C)N1N=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020228443	1	47	-1.0	-45.30	374.96	5.82	-39.48
CC(C)N1N=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020228444	0	44	-1.0	-54.05	359.73	4.91	-49.14
CC(C)N1N=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020228444	1	44	-1.0	-54.02	359.68	4.89	-49.13
CSCC[C@H](NC(=O)NC1=CC=C2C=NN(C(C)C)C2=C1)C1=NN=N[N-]1	REAL300020228445	0	47	-1.0	-53.01	403.27	4.87	-48.14
CSCC[C@H](NC(=O)NC1=CC=C2C=NN(C(C)C)C2=C1)C1=N[N-]N=N1	REAL300020228445	1	47	-1.0	-53.01	403.21	4.86	-48.15
CC(C)N1N=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020228446	0	44	-1.0	-48.29	361.12	4.96	-43.33
CC(C)N1N=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020228446	1	44	-1.0	-48.28	361.05	4.95	-43.33
CC(C)N1N=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020228447	0	50	-1.0	-43.53	387.39	5.97	-37.56
CC(C)N1N=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020228447	1	50	-1.0	-43.91	387.33	5.96	-37.95
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(C)=C1C	REAL300020228448	0	44	-1.0	-42.67	389.43	5.99	-36.68
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C)=C1C	REAL300020228448	1	44	-1.0	-42.66	389.37	5.96	-36.70
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C)=C1C	REAL300020228449	0	44	-1.0	-43.40	368.74	5.44	-37.96
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C)=C1C	REAL300020228449	1	44	-1.0	-43.44	368.80	5.45	-37.99
COC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)SC(C)=C1C	REAL300020228450	0	41	-1.0	-52.31	354.76	4.59	-47.72
COC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)SC(C)=C1C	REAL300020228450	1	41	-1.0	-52.32	354.82	4.61	-47.71
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC(C)=C1C	REAL300020228451	0	44	-1.0	-44.96	398.36	4.56	-40.40
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC(C)=C1C	REAL300020228451	1	44	-1.0	-44.99	398.41	4.57	-40.42
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C)=C1C	REAL300020228452	0	41	-1.0	-42.84	354.77	4.57	-38.27
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C)=C1C	REAL300020228452	1	41	-1.0	-42.79	354.85	4.58	-38.21
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C)=C1C	REAL300020228453	0	47	-1.0	-47.51	378.75	6.50	-41.01
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C)=C1C	REAL300020228453	1	47	-1.0	-47.45	378.80	6.51	-40.94
CC(=O)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020228454	0	45	-1.0	-56.56	369.18	5.06	-51.50
CC(=O)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020228454	1	45	-1.0	-56.55	369.12	5.04	-51.51
CC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020228455	0	45	-1.0	-49.36	362.35	4.95	-44.41
CC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020228455	1	45	-1.0	-49.41	362.40	4.96	-44.45
CC(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020228456	0	42	-1.0	-69.77	335.36	3.61	-66.16
CC(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020228456	1	42	-1.0	-69.78	335.42	3.63	-66.15
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C(C)=O)C=C1)C1=N[N-]N=N1	REAL300020228457	0	45	-1.0	-62.05	380.08	3.55	-58.50
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C(C)=O)C=C1)C1=NN=N[N-]1	REAL300020228457	1	45	-1.0	-62.10	380.14	3.57	-58.53
CC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020228458	0	42	-1.0	-52.58	348.07	4.06	-48.52
CC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020228458	1	42	-1.0	-52.53	348.15	4.07	-48.46
CC(=O)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020228459	0	48	-1.0	-63.68	370.62	5.93	-57.75
CC(=O)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020228459	1	48	-1.0	-63.64	370.68	5.94	-57.70
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC(N2CCCC2)=C1	REAL300020228460	0	47	-1.0	-41.85	387.51	5.33	-36.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC(N2CCCC2)=C1	REAL300020228460	1	47	-1.0	-41.85	387.45	5.31	-36.54
O=C(NC1=CC(F)=CC(N2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228461	0	47	-1.0	-43.88	368.38	4.85	-39.03
O=C(NC1=CC(F)=CC(N2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228461	1	47	-1.0	-43.88	368.44	4.87	-39.01
O=C(NC1=CC(F)=CC(N2CCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228462	0	44	-1.0	-52.91	352.59	3.98	-48.93
O=C(NC1=CC(F)=CC(N2CCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228462	1	44	-1.0	-52.94	352.65	4.00	-48.94
CSCC[C@H](NC(=O)NC1=CC(F)=CC(N2CCCC2)=C1)C1=N[N-]N=N1	REAL300020228463	0	47	-1.0	-47.60	396.27	3.94	-43.66
CSCC[C@H](NC(=O)NC1=CC(F)=CC(N2CCCC2)=C1)C1=NN=N[N-]1	REAL300020228463	1	47	-1.0	-47.69	396.33	3.95	-43.74
O=C(NC1=CC(F)=CC(N2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228464	0	44	-1.0	-44.17	354.28	4.00	-40.17
O=C(NC1=CC(F)=CC(N2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228464	1	44	-1.0	-44.17	354.36	4.01	-40.16
O=C(NC1=CC(F)=CC(N2CCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228465	0	50	-1.0	-42.01	380.55	4.89	-37.12
O=C(NC1=CC(F)=CC(N2CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228465	1	50	-1.0	-41.99	380.60	4.89	-37.10
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020228466	0	44	-1.0	-45.33	376.24	6.37	-38.96
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020228466	1	44	-1.0	-45.32	376.19	6.35	-38.97
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020228467	0	44	-1.0	-44.19	357.22	5.84	-38.35
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020228467	1	44	-1.0	-44.16	357.27	5.85	-38.31
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020228468	0	41	-1.0	-54.14	340.78	4.90	-49.24
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020228468	1	41	-1.0	-54.19	340.84	4.93	-49.26
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020228469	0	44	-1.0	-46.70	385.44	4.90	-41.80
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020228469	1	44	-1.0	-46.68	385.50	4.91	-41.77
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020228470	0	41	-1.0	-44.48	342.30	4.95	-39.53
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020228470	1	41	-1.0	-44.46	342.37	4.96	-39.50
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020228471	0	47	-1.0	-50.19	364.75	6.78	-43.41
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020228471	1	47	-1.0	-50.23	364.81	6.79	-43.44
CC(C)C1=NOC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300020228472	0	49	-1.0	-44.84	398.65	4.75	-40.09
CC(C)C1=NOC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300020228472	1	49	-1.0	-44.80	398.59	4.73	-40.07
CC(C)C1=NOC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020228473	0	46	-1.0	-53.04	383.50	3.80	-49.24
CC(C)C1=NOC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020228473	1	46	-1.0	-53.02	383.44	3.79	-49.23
CC(C)C1=NOC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020228474	0	46	-1.0	-45.22	384.88	3.85	-41.37
CC(C)C1=NOC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020228474	1	46	-1.0	-45.25	384.81	3.85	-41.40
CC(C)C1=NOC(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=N1	REAL300020228475	0	52	-1.0	-50.26	406.79	5.63	-44.63
CC(C)C1=NOC(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=N1	REAL300020228475	1	52	-1.0	-50.30	406.74	5.63	-44.67
CS(=O)(=O)CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228476	0	48	-1.0	-53.56	397.90	2.13	-51.43
CS(=O)(=O)CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228476	1	48	-1.0	-53.63	397.96	2.15	-51.48
CS(=O)(=O)CCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228477	0	45	-1.0	-67.57	383.49	1.19	-66.38
CS(=O)(=O)CCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228477	1	45	-1.0	-67.56	383.55	1.20	-66.36
CS(=O)(=O)CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228478	0	45	-1.0	-55.87	385.14	1.19	-54.68
CS(=O)(=O)CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228478	1	45	-1.0	-55.87	385.21	1.21	-54.66
O=C(NC1=CC=C2N=CSC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228479	0	37	-1.0	-47.94	334.47	4.29	-43.65
O=C(NC1=CC=C2N=CSC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228479	1	37	-1.0	-47.94	334.41	4.26	-43.68
O=C(NC1=CC=C2N=CSC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228480	0	37	-1.0	-45.01	315.83	3.73	-41.28
O=C(NC1=CC=C2N=CSC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228480	1	37	-1.0	-45.05	315.78	3.71	-41.34
O=C(NC1=CC=C2N=CSC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228481	0	34	-1.0	-58.43	300.16	2.87	-55.56
O=C(NC1=CC=C2N=CSC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228481	1	34	-1.0	-58.39	300.10	2.86	-55.53
CSCC[C@H](NC(=O)NC1=CC=C2N=CSC2=C1)C1=NN=N[N-]1	REAL300020228482	0	37	-1.0	-48.82	343.98	2.80	-46.02
CSCC[C@H](NC(=O)NC1=CC=C2N=CSC2=C1)C1=N[N-]N=N1	REAL300020228482	1	37	-1.0	-48.85	343.92	2.79	-46.06
O=C(NC1=CC=C2N=CSC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228483	0	34	-1.0	-47.00	301.84	2.89	-44.11
O=C(NC1=CC=C2N=CSC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228483	1	34	-1.0	-47.04	301.76	2.88	-44.16
O=C(NC1=CC=C2N=CSC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228484	0	40	-1.0	-42.16	328.18	3.92	-38.24
O=C(NC1=CC=C2N=CSC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228484	1	40	-1.0	-42.18	328.14	3.92	-38.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C2=NC=CC=C12	REAL300020228485	0	40	-1.0	-56.12	356.26	5.90	-50.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C2=NC=CC=C12	REAL300020228485	1	40	-1.0	-56.15	356.21	5.87	-50.28
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228486	0	40	-1.0	-45.30	338.51	5.45	-39.85
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228486	1	40	-1.0	-45.26	338.46	5.43	-39.83
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300020228487	0	37	-1.0	-53.95	322.25	4.51	-49.44
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300020228487	1	37	-1.0	-53.92	322.20	4.49	-49.43
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C2=NC=CC=C12)C1=NN=N[N-]1	REAL300020228488	0	40	-1.0	-48.95	365.78	4.46	-44.49
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C2=NC=CC=C12)C1=N[N-]N=N1	REAL300020228488	1	40	-1.0	-48.93	365.72	4.44	-44.49
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020228489	0	37	-1.0	-45.49	323.64	4.55	-40.94
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020228489	1	37	-1.0	-45.50	323.57	4.54	-40.96
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020228490	0	43	-1.0	-39.78	348.46	5.57	-34.21
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020228490	1	43	-1.0	-39.79	348.41	5.56	-34.23
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228491	0	45	-1.0	-45.08	386.57	7.41	-37.67
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228491	1	45	-1.0	-45.06	386.52	7.38	-37.68
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228492	0	45	-1.0	-46.60	367.33	6.93	-39.67
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228492	1	45	-1.0	-46.62	367.28	6.92	-39.70
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228493	0	42	-1.0	-55.47	351.92	6.02	-49.45
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228493	1	42	-1.0	-55.49	351.86	6.00	-49.49
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020228494	0	45	-1.0	-49.33	395.53	5.98	-43.35
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020228494	1	45	-1.0	-49.34	395.48	5.97	-43.37
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228495	0	42	-1.0	-45.93	353.40	6.06	-39.87
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228495	1	42	-1.0	-45.95	353.32	6.04	-39.91
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228496	0	48	-1.0	-51.02	375.33	7.80	-43.22
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228496	1	48	-1.0	-51.02	375.29	7.79	-43.23
CCC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020228497	0	45	-1.0	-57.52	379.98	4.46	-53.06
CCC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020228497	1	45	-1.0	-57.53	379.92	4.44	-53.09
CCC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020228498	0	45	-1.0	-47.74	360.75	3.99	-43.75
CCC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020228498	1	45	-1.0	-47.77	360.81	4.00	-43.77
CCC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020228499	0	42	-1.0	-56.78	344.90	3.11	-53.67
CCC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020228499	1	42	-1.0	-56.76	344.96	3.12	-53.64
CCC(=O)NC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020228500	0	45	-1.0	-58.87	388.77	3.06	-55.81
CCC(=O)NC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020228500	1	45	-1.0	-58.94	388.82	3.07	-55.87
CCC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020228501	0	42	-1.0	-54.66	346.63	3.14	-51.52
CCC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020228501	1	42	-1.0	-54.65	346.71	3.15	-51.50
CCC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020228502	0	48	-1.0	-57.17	368.54	4.91	-52.26
CCC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020228502	1	48	-1.0	-57.23	368.59	4.91	-52.32
CC(C)OCCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228503	0	55	-1.0	-50.98	436.87	5.97	-45.01
CC(C)OCCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228503	1	55	-1.0	-51.00	436.92	5.99	-45.01
CC(C)OCCOCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228504	0	52	-1.0	-54.88	421.48	5.04	-49.84
CC(C)OCCOCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228504	1	52	-1.0	-54.88	421.54	5.06	-49.82
CC(C)OCCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228505	0	52	-1.0	-45.82	422.52	5.12	-40.70
CC(C)OCCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228505	1	52	-1.0	-45.86	422.60	5.13	-40.73
O=C([N-]C1=NC2=C(CCCCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228506	0	43	-2.0	-94.81	367.47	5.32	-89.49
O=C(NC1=NC2=C(CCCCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228506	1	44	-1.0	-46.04	370.72	6.52	-39.52
O=C([N-]C1=NC2=C(CCCCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228506	1	43	-2.0	-94.81	367.41	5.29	-89.52
O=C(NC1=NC2=C(CCCCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228506	1	44	-1.0	-46.04	370.67	6.50	-39.54
O=C(NC1=NC2=C(CCCCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228507	0	44	-1.0	-42.77	349.45	5.63	-37.14
O=C(NC1=NC2=C(CCCCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228507	1	44	-1.0	-42.80	349.51	5.65	-37.15
O=C(NC1=NC2=C(CCCCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020228508	0	41	-1.0	-60.85	336.03	5.11	-55.74
O=C(NC1=NC2=C(CCCCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020228508	1	41	-1.0	-60.82	336.09	5.12	-55.70
CSCC[C@H](NC(=O)NC1=NC2=C(CCCCC2)S1)C1=N[N-]N=N1	REAL300020228509	0	44	-1.0	-52.29	379.65	5.08	-47.21
CSCC[C@H](NC(=O)NC1=NC2=C(CCCCC2)S1)C1=NN=N[N-]1	REAL300020228509	1	44	-1.0	-52.26	379.70	5.10	-47.16
O=C(NC1=NC2=C(CCCCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228510	0	41	-1.0	-41.51	335.44	4.77	-36.74
O=C(NC1=NC2=C(CCCCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228510	1	41	-1.0	-41.50	335.51	4.78	-36.72
O=C(NC1=NC2=C(CCCCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228511	0	47	-1.0	-46.87	357.87	6.50	-40.37
O=C(NC1=NC2=C(CCCCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228511	1	47	-1.0	-46.88	357.89	6.51	-40.37
COC1=CC(C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228512	0	42	-1.0	-44.95	353.06	4.90	-40.05
COC1=CC(C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228512	1	42	-1.0	-44.94	353.00	4.87	-40.07
COC1=CC(C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228513	0	42	-1.0	-44.08	332.83	4.40	-39.68
COC1=CC(C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228513	1	42	-1.0	-44.07	332.89	4.41	-39.66
COC1=CC(C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228514	0	39	-1.0	-54.39	317.91	3.47	-50.92
COC1=CC(C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228514	1	39	-1.0	-54.37	317.97	3.49	-50.88
COC1=CC(C)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020228515	0	42	-1.0	-48.36	361.43	3.42	-44.94
COC1=CC(C)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020228515	1	42	-1.0	-48.36	361.48	3.43	-44.93
COC1=CC(C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228516	0	39	-1.0	-44.33	320.08	3.50	-40.83
COC1=CC(C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228516	1	39	-1.0	-44.32	320.15	3.52	-40.80
COC1=CC(C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228517	0	45	-1.0	-51.00	341.71	5.36	-45.64
COC1=CC(C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228517	1	45	-1.0	-51.01	341.76	5.38	-45.63
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228518	0	45	-1.0	-56.87	388.82	5.50	-51.37
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228518	1	45	-1.0	-56.86	388.87	5.52	-51.34
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228519	0	45	-1.0	-48.57	390.19	5.56	-43.01
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228519	1	45	-1.0	-48.57	390.26	5.56	-43.01
CCOC1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)OC(C)C2	REAL300020228520	0	50	-1.0	-45.75	410.56	5.77	-39.98
CCOC1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)OC(C)C2	REAL300020228520	1	50	-1.0	-45.71	410.51	5.74	-39.97
CCOC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)CC1)OC(C)C2	REAL300020228521	0	50	-1.0	-47.40	390.01	5.25	-42.15
CCOC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)CC1)OC(C)C2	REAL300020228521	1	50	-1.0	-47.43	390.07	5.27	-42.16
CCOC1=CC2=C(C=C1NC(=O)N1CCCC1C1=N[N-]N=N1)OC(C)C2	REAL300020228522	0	47	-1.0	-59.00	375.38	4.33	-54.67
CCOC1=CC2=C(C=C1NC(=O)N1CCCC1C1=NN=N[N-]1)OC(C)C2	REAL300020228522	1	47	-1.0	-59.04	375.44	4.36	-54.68
CCOC1=CC2=C(C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)OC(C)C2	REAL300020228523	0	50	-1.0	-54.05	418.76	4.28	-49.77
CCOC1=CC2=C(C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)OC(C)C2	REAL300020228523	1	50	-1.0	-54.01	418.82	4.30	-49.71
CCOC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)C1)OC(C)C2	REAL300020228524	0	47	-1.0	-47.98	377.53	4.38	-43.60
CCOC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)C1)OC(C)C2	REAL300020228524	1	47	-1.0	-48.06	377.61	4.39	-43.67
CCOC1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1)OC(C)C2	REAL300020228525	0	53	-1.0	-55.87	399.20	6.23	-49.64
CCOC1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1)OC(C)C2	REAL300020228525	1	53	-1.0	-55.90	399.25	6.23	-49.67
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020228526	0	46	-1.0	-43.79	383.79	4.90	-38.89
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020228526	1	46	-1.0	-43.82	383.73	4.88	-38.94
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020228527	0	46	-1.0	-45.45	364.78	4.38	-41.07
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020228527	1	46	-1.0	-45.48	364.83	4.39	-41.09
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC	REAL300020228528	0	43	-1.0	-55.37	349.06	3.51	-51.86
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC	REAL300020228528	1	43	-1.0	-55.37	349.12	3.53	-51.84
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020228529	0	46	-1.0	-48.53	392.61	3.47	-45.06
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020228529	1	46	-1.0	-48.50	392.66	3.49	-45.01
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020228530	0	43	-1.0	-45.54	350.72	3.54	-42.00
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020228530	1	43	-1.0	-45.59	350.80	3.54	-42.05
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020228531	0	49	-1.0	-43.17	377.14	4.56	-38.61
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020228531	1	49	-1.0	-43.15	377.19	4.58	-38.57
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228532	0	51	-1.0	-43.79	410.26	8.35	-35.44
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228532	1	51	-1.0	-43.80	410.31	8.38	-35.42
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228533	0	51	-1.0	-42.60	402.00	8.22	-34.38
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228533	1	51	-1.0	-42.62	402.06	8.23	-34.39
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228534	0	48	-1.0	-54.20	375.36	6.91	-47.29
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228534	1	48	-1.0	-54.21	375.42	6.94	-47.27
CSCC[C@H](NC(=O)NC1=CC=C(SC(C)(C)C)C=C1C)C1=N[N-]N=N1	REAL300020228535	0	51	-1.0	-45.70	419.05	6.88	-38.82
CSCC[C@H](NC(=O)NC1=CC=C(SC(C)(C)C)C=C1C)C1=NN=N[N-]1	REAL300020228535	1	51	-1.0	-45.72	419.11	6.90	-38.82
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228536	0	48	-1.0	-43.61	387.99	7.32	-36.29
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228536	1	48	-1.0	-43.58	388.06	7.33	-36.25
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228537	0	54	-1.0	-49.78	400.38	8.83	-40.95
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228537	1	54	-1.0	-49.80	400.44	8.84	-40.96
CC1=CSC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)=N1	REAL300020228538	0	44	-1.0	-52.09	389.05	6.32	-45.77
CC1=CSC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=N1	REAL300020228538	1	44	-1.0	-52.05	388.99	6.30	-45.75
CC1=CSC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300020228539	0	44	-1.0	-46.54	369.03	5.82	-40.72
CC1=CSC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300020228539	1	44	-1.0	-46.55	368.97	5.80	-40.75
CC1=CSC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020228540	0	41	-1.0	-53.37	355.03	4.85	-48.52
CC1=CSC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020228540	1	41	-1.0	-53.36	354.97	4.84	-48.52
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC(C)=CS2)C=C1)C1=NN=N[N-]1	REAL300020228541	0	44	-1.0	-48.46	398.56	4.83	-43.63
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC(C)=CS2)C=C1)C1=N[N-]N=N1	REAL300020228541	1	44	-1.0	-48.46	398.50	4.82	-43.64
CC1=CSC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020228542	0	41	-1.0	-44.75	356.42	4.91	-39.84
CC1=CSC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020228542	1	41	-1.0	-44.69	356.34	4.90	-39.79
CC1=CSC(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=N1	REAL300020228543	0	47	-1.0	-41.90	382.74	5.93	-35.97
CC1=CSC(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=N1	REAL300020228543	1	47	-1.0	-41.85	382.70	5.92	-35.93
COC1=C(Cl)C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020228544	0	39	-1.0	-41.49	368.76	5.25	-36.24
COC1=C(Cl)C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020228544	1	39	-1.0	-41.45	368.82	5.27	-36.18
COC1=C(Cl)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020228545	0	39	-1.0	-42.49	349.68	4.78	-37.71
COC1=C(Cl)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020228545	1	39	-1.0	-42.51	349.73	4.79	-37.72
COC1=C(Cl)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020228546	0	36	-1.0	-51.47	333.83	3.90	-47.57
COC1=C(Cl)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020228546	1	36	-1.0	-51.49	333.89	3.92	-47.57
COC1=C(Cl)C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020228547	0	39	-1.0	-45.93	377.52	3.87	-42.06
COC1=C(Cl)C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020228547	1	39	-1.0	-45.93	377.58	3.89	-42.04
COC1=C(Cl)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020228548	0	36	-1.0	-43.11	335.35	3.95	-39.16
COC1=C(Cl)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020228548	1	36	-1.0	-43.10	335.43	3.97	-39.13
COC1=C(Cl)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020228549	0	42	-1.0	-48.84	357.51	5.78	-43.06
COC1=C(Cl)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020228549	1	42	-1.0	-48.86	357.56	5.79	-43.07
CC(C)CN1C=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020228550	0	51	-1.0	-53.53	417.84	8.81	-44.72
CC(C)CN1C=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020228550	1	51	-1.0	-53.54	417.78	8.78	-44.76
CC(C)CN1C=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020228551	0	51	-1.0	-46.13	399.15	8.25	-37.88
CC(C)CN1C=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020228551	1	51	-1.0	-46.16	399.20	8.26	-37.90
CC(C)CN1C=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020228552	0	48	-1.0	-59.82	378.09	7.03	-52.79
CC(C)CN1C=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020228552	1	48	-1.0	-59.82	378.15	7.05	-52.77
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C=CN2CC(C)C)C1=N[N-]N=N1	REAL300020228553	0	51	-1.0	-55.42	421.60	7.01	-48.41
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C=CN2CC(C)C)C1=NN=N[N-]1	REAL300020228553	1	51	-1.0	-55.45	421.66	7.02	-48.43
CC(C)CN1C=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020228554	0	48	-1.0	-49.45	379.43	7.10	-42.35
CC(C)CN1C=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020228554	1	48	-1.0	-49.43	379.50	7.11	-42.32
CC(C)CN1C=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020228555	0	54	-1.0	-46.84	405.81	8.12	-38.72
CC(C)CN1C=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020228555	1	54	-1.0	-46.87	405.83	8.13	-38.74
CC1=NN(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)C=C1	REAL300020228556	0	45	-1.0	-52.26	383.61	6.54	-45.72
CC1=NN(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)C=C1	REAL300020228556	1	45	-1.0	-52.24	383.55	6.52	-45.72
CC1=NN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C=C1	REAL300020228557	0	45	-1.0	-53.46	364.18	6.10	-47.36
CC1=NN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C=C1	REAL300020228557	1	45	-1.0	-53.49	364.23	6.12	-47.37
CC1=NN(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=C1	REAL300020228558	0	42	-1.0	-65.71	349.12	5.15	-60.56
CC1=NN(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=C1	REAL300020228558	1	42	-1.0	-65.69	349.18	5.17	-60.52
CSCC[C@H](NC(=O)NC1=CC=CC(N2C=CC(C)=N2)=C1)C1=N[N-]N=N1	REAL300020228559	0	45	-1.0	-57.76	392.39	5.15	-52.61
CSCC[C@H](NC(=O)NC1=CC=CC(N2C=CC(C)=N2)=C1)C1=NN=N[N-]1	REAL300020228559	1	45	-1.0	-57.75	392.45	5.17	-52.58
CC1=NN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020228560	0	42	-1.0	-56.29	350.41	5.21	-51.08
CC1=NN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020228560	1	42	-1.0	-56.36	350.49	5.22	-51.14
CC1=NN(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=C1	REAL300020228561	0	48	-1.0	-50.30	378.87	6.25	-44.05
CC1=NN(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=C1	REAL300020228561	1	48	-1.0	-50.34	378.92	6.28	-44.06
CN(C)C(=O)CN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020228562	0	45	-1.0	-54.49	381.86	4.05	-50.44
CN(C)C(=O)CN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020228562	1	45	-1.0	-54.47	381.80	4.03	-50.44
CN(C)C(=O)CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020228563	0	45	-1.0	-55.42	362.27	3.58	-51.84
CN(C)C(=O)CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020228563	1	45	-1.0	-55.38	362.21	3.57	-51.81
CN(C)C(=O)CN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020228564	0	42	-1.0	-64.26	347.22	2.66	-61.60
CN(C)C(=O)CN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020228564	1	42	-1.0	-64.24	347.16	2.63	-61.61
CSCC[C@H](NC(=O)NC1=NN(CC(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL300020228565	0	45	-1.0	-59.89	390.41	2.63	-57.26
CSCC[C@H](NC(=O)NC1=NN(CC(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL300020228565	1	45	-1.0	-59.85	390.36	2.62	-57.23
CN(C)C(=O)CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020228566	0	42	-1.0	-55.19	349.09	2.69	-52.50
CN(C)C(=O)CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020228566	1	42	-1.0	-55.15	349.01	2.67	-52.48
CN(C)C(=O)CN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020228567	0	48	-1.0	-59.30	370.24	4.43	-54.87
CN(C)C(=O)CN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020228567	1	48	-1.0	-59.31	370.20	4.43	-54.88
COCCN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020228568	0	42	-1.0	-43.68	360.33	3.46	-40.22
COCCN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020228568	1	42	-1.0	-43.65	360.28	3.43	-40.22
COCCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020228569	0	42	-1.0	-45.58	341.17	2.98	-42.60
COCCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020228569	1	42	-1.0	-45.56	341.12	2.96	-42.60
COCCN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020228570	0	39	-1.0	-53.84	325.69	2.06	-51.78
COCCN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020228570	1	39	-1.0	-53.87	325.64	2.05	-51.82
COCCN1C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020228571	0	42	-1.0	-47.54	369.32	2.03	-45.51
COCCN1C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020228571	1	42	-1.0	-47.53	369.26	2.02	-45.51
COCCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020228572	0	39	-1.0	-44.56	327.18	2.11	-42.45
COCCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020228572	1	39	-1.0	-44.52	327.10	2.09	-42.43
COCCN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020228573	0	45	-1.0	-49.46	349.11	3.85	-45.61
COCCN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020228573	1	45	-1.0	-49.49	349.07	3.84	-45.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C(F)F)=C1	REAL300020228574	0	38	-1.0	-62.10	337.52	5.69	-56.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C(F)F)=C1	REAL300020228574	1	38	-1.0	-62.06	337.46	5.66	-56.40
O=C(NC1=CC=CC(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228575	0	38	-1.0	-50.69	318.36	5.23	-45.46
O=C(NC1=CC=CC(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228575	1	38	-1.0	-50.77	318.42	5.24	-45.53
O=C(NC1=CC=CC(C(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228576	0	35	-1.0	-53.40	300.98	4.23	-49.17
O=C(NC1=CC=CC(C(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228576	1	35	-1.0	-53.43	301.04	4.25	-49.18
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL300020228577	0	38	-1.0	-56.89	346.45	4.25	-52.64
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL300020228577	1	38	-1.0	-56.90	346.51	4.26	-52.64
O=C(NC1=CC=CC(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228578	0	35	-1.0	-50.86	304.30	4.35	-46.51
O=C(NC1=CC=CC(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228578	1	35	-1.0	-50.86	304.37	4.36	-46.50
O=C(NC1=CC=CC(C(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228579	0	41	-1.0	-49.57	326.32	6.10	-43.47
O=C(NC1=CC=CC(C(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228579	1	41	-1.0	-49.57	326.37	6.12	-43.45
O=C(NC1=CC=C2SC=NC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228580	0	37	-1.0	-44.77	334.05	4.22	-40.55
O=C(NC1=CC=C2SC=NC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228580	1	37	-1.0	-44.78	333.99	4.19	-40.59
O=C(NC1=CC=C2SC=NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228581	0	37	-1.0	-43.90	315.04	3.71	-40.19
O=C(NC1=CC=C2SC=NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228581	1	37	-1.0	-43.87	314.99	3.69	-40.18
O=C(NC1=CC=C2SC=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228582	0	34	-1.0	-53.07	300.03	2.75	-50.32
O=C(NC1=CC=C2SC=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228582	1	34	-1.0	-53.07	299.97	2.74	-50.33
CSCC[C@H](NC(=O)NC1=CC=C2SC=NC2=C1)C1=NN=N[N-]1	REAL300020228583	0	37	-1.0	-47.10	343.57	2.73	-44.37
CSCC[C@H](NC(=O)NC1=CC=C2SC=NC2=C1)C1=N[N-]N=N1	REAL300020228583	1	37	-1.0	-47.08	343.52	2.71	-44.37
O=C(NC1=CC=C2SC=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228584	0	34	-1.0	-44.16	301.43	2.81	-41.35
O=C(NC1=CC=C2SC=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228584	1	34	-1.0	-44.20	301.36	2.80	-41.40
O=C(NC1=CC=C2SC=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228585	0	40	-1.0	-44.85	327.71	3.84	-41.01
O=C(NC1=CC=C2SC=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228585	1	40	-1.0	-44.86	327.68	3.82	-41.04
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228586	0	43	-2.0	-92.40	372.23	5.41	-86.99
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228586	1	43	-2.0	-92.39	372.17	5.38	-87.01
CC1=CC=CC=C1C1=NOC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228586	1	44	-1.0	-46.61	375.49	7.20	-39.41
CC1=CC=CC=C1C1=NOC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228586	1	44	-1.0	-46.58	375.43	7.17	-39.41
CC1=CC=CC=C1C1=NOC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228587	0	44	-1.0	-48.69	356.22	6.78	-41.91
CC1=CC=CC=C1C1=NOC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228587	1	44	-1.0	-48.70	356.28	6.80	-41.90
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228587	1	43	-2.0	-94.94	355.21	5.51	-89.43
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228587	1	43	-2.0	-94.92	355.27	5.52	-89.40
CC1=CC=CC=C1C1=NOC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228588	0	41	-1.0	-60.04	340.80	5.88	-54.16
CC1=CC=CC=C1C1=NOC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228588	1	41	-1.0	-60.09	340.86	5.90	-54.19
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228588	1	40	-2.0	-118.66	339.40	4.32	-114.34
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228588	1	40	-2.0	-118.67	339.46	4.34	-114.33
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CC=C2C)=NO1)C1=N[N-]N=N1	REAL300020228589	0	44	-1.0	-52.16	384.41	5.85	-46.31
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CC=C2C)=NO1)C1=NN=N[N-]1	REAL300020228589	1	44	-1.0	-52.18	384.47	5.86	-46.32
CSCC[C@H](NC(=O)[N-]C1=CC(C2=CC=CC=C2C)=NO1)C1=N[N-]N=N1	REAL300020228589	1	43	-2.0	-108.02	381.17	4.06	-103.96
CSCC[C@H](NC(=O)[N-]C1=CC(C2=CC=CC=C2C)=NO1)C1=NN=N[N-]1	REAL300020228589	1	43	-2.0	-107.98	381.22	4.08	-103.90
CC1=CC=CC=C1C1=NOC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228590	0	41	-1.0	-49.08	342.25	5.98	-43.10
CC1=CC=CC=C1C1=NOC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228590	1	41	-1.0	-49.15	342.32	6.00	-43.15
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228590	1	40	-2.0	-96.21	340.14	4.38	-91.83
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228590	1	40	-2.0	-96.19	340.21	4.39	-91.80
CC1=CC=CC=C1C1=NOC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228591	0	47	-1.0	-57.19	364.48	7.35	-49.84
CC1=CC=CC=C1C1=NOC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228591	1	47	-1.0	-57.23	364.54	7.36	-49.87
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228591	1	46	-2.0	-102.09	367.40	6.03	-96.06
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228591	1	46	-2.0	-102.08	367.47	6.05	-96.03
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2=CC=CS2)=C1	REAL300020228592	0	42	-1.0	-59.46	370.67	7.37	-52.09
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2=CC=CS2)=C1	REAL300020228592	1	42	-1.0	-59.48	370.61	7.35	-52.13
O=C(NC1=CC=CC(C2=CC=CS2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228593	0	42	-1.0	-48.57	351.55	6.91	-41.66
O=C(NC1=CC=CC(C2=CC=CS2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228593	1	42	-1.0	-48.56	351.61	6.93	-41.63
O=C(NC1=CC=CC(C2=CC=CS2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228594	0	39	-1.0	-57.78	336.12	6.00	-51.78
O=C(NC1=CC=CC(C2=CC=CS2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228594	1	39	-1.0	-57.79	336.18	6.01	-51.78
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL300020228595	0	42	-1.0	-54.65	379.65	5.95	-48.70
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL300020228595	1	42	-1.0	-54.66	379.71	5.97	-48.69
O=C(NC1=CC=CC(C2=CC=CS2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228596	0	39	-1.0	-48.58	337.50	6.04	-42.54
O=C(NC1=CC=CC(C2=CC=CS2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228596	1	39	-1.0	-48.61	337.57	6.06	-42.55
O=C(NC1=CC=CC(C2=CC=CS2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228597	0	45	-1.0	-43.64	363.86	7.05	-36.59
O=C(NC1=CC=CC(C2=CC=CS2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228597	1	45	-1.0	-43.71	363.86	7.07	-36.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C2C=CNC2=CC=C1	REAL300020228598	0	39	-1.0	-44.56	333.50	4.84	-39.72
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C2C=CNC2=CC=C1	REAL300020228598	1	39	-1.0	-44.53	333.45	4.81	-39.72
O=C(NC1=C2C=CNC2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228599	0	39	-1.0	-46.27	313.90	4.35	-41.92
O=C(NC1=C2C=CNC2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228599	1	39	-1.0	-46.33	313.96	4.37	-41.96
CSCC[C@H](NC(=O)NC1=C2C=CNC2=CC=C1)C1=N[N-]N=N1	REAL300020228600	0	39	-1.0	-51.32	343.48	3.40	-47.92
CSCC[C@H](NC(=O)NC1=C2C=CNC2=CC=C1)C1=NN=N[N-]1	REAL300020228600	1	39	-1.0	-51.27	343.54	3.42	-47.85
O=C(NC1=C2C=CNC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228601	0	42	-1.0	-53.38	321.38	5.20	-48.18
O=C(NC1=C2C=CNC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228601	1	42	-1.0	-53.42	321.43	5.21	-48.21
O=C(NC1=CC=CC(CSC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228602	0	48	-1.0	-46.02	403.97	7.60	-38.42
O=C(NC1=CC=CC(CSC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228602	1	48	-1.0	-46.00	403.91	7.58	-38.42
O=C(NC1=CC=CC(CSC2=CC=CC=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228603	0	45	-1.0	-55.23	388.54	6.70	-48.53
O=C(NC1=CC=CC(CSC2=CC=CC=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228603	1	45	-1.0	-55.20	388.49	6.69	-48.51
O=C(NC1=CC=CC(CSC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228604	0	45	-1.0	-46.30	389.88	6.75	-39.55
O=C(NC1=CC=CC(CSC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228604	1	45	-1.0	-46.23	389.81	6.74	-39.49
O=C(NC1=CC=C(CN2C(=O)CSC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228605	0	43	-1.0	-58.30	374.41	4.15	-54.15
O=C(NC1=CC=C(CN2C(=O)CSC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228605	1	43	-1.0	-58.26	374.47	4.16	-54.10
O=C(NC1=CC=C(CN2C(=O)CSC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228606	0	43	-1.0	-47.32	375.75	4.20	-43.12
O=C(NC1=CC=C(CN2C(=O)CSC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228606	1	43	-1.0	-47.33	375.83	4.21	-43.12
CSC1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)OCCO2	REAL300020228607	0	45	-1.0	-57.45	384.59	5.05	-52.40
CSC1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)OCCO2	REAL300020228607	1	45	-1.0	-57.44	384.53	5.03	-52.41
CSC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)CC1)OCCO2	REAL300020228608	0	45	-1.0	-47.12	366.99	4.56	-42.56
CSC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)CC1)OCCO2	REAL300020228608	1	45	-1.0	-47.13	367.05	4.58	-42.55
CSC1=CC2=C(C=C1NC(=O)N1CCCC1C1=N[N-]N=N1)OCCO2	REAL300020228609	0	42	-1.0	-57.58	350.37	3.66	-53.92
CSC1=CC2=C(C=C1NC(=O)N1CCCC1C1=NN=N[N-]1)OCCO2	REAL300020228609	1	42	-1.0	-57.56	350.42	3.67	-53.89
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1SC)OCCO2)C1=N[N-]N=N1	REAL300020228610	0	45	-1.0	-51.71	394.80	3.66	-48.05
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1SC)OCCO2)C1=NN=N[N-]1	REAL300020228610	1	45	-1.0	-51.70	394.86	3.67	-48.03
CSC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)C1)OCCO2	REAL300020228611	0	42	-1.0	-47.02	351.74	3.70	-43.32
CSC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020228611	1	42	-1.0	-47.02	351.81	3.71	-43.31
CSC1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1)OCCO2	REAL300020228612	0	48	-1.0	-54.03	374.48	5.45	-48.58
CSC1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1)OCCO2	REAL300020228612	1	48	-1.0	-54.04	374.54	5.45	-48.59
CC1=CC(SC2=NC=CC=N2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228613	0	47	-1.0	-47.60	395.48	6.83	-40.77
CC1=CC(SC2=NC=CC=N2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228613	1	47	-1.0	-47.60	395.42	6.82	-40.78
CC1=CC(SC2=NC=CC=N2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228614	0	44	-1.0	-59.48	378.66	5.92	-53.56
CC1=CC(SC2=NC=CC=N2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228614	1	44	-1.0	-59.49	378.60	5.89	-53.60
CC1=CC(SC2=NC=CC=N2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228615	0	44	-1.0	-48.09	380.19	5.95	-42.14
CC1=CC(SC2=NC=CC=N2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228615	1	44	-1.0	-48.10	380.12	5.94	-42.16
COCC1=C(Br)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228616	0	42	-1.0	-42.17	353.06	4.76	-37.41
COCC1=C(Br)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228616	1	42	-1.0	-42.14	353.12	4.77	-37.37
COCC1=C(Br)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228617	0	39	-1.0	-49.87	338.04	3.82	-46.05
COCC1=C(Br)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228617	1	39	-1.0	-49.93	338.09	3.84	-46.09
COCC1=C(Br)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228618	0	39	-1.0	-41.48	339.42	3.88	-37.60
COCC1=C(Br)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228618	1	39	-1.0	-41.49	339.49	3.88	-37.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2=NNC(=O)C=C2)=C1	REAL300020228619	0	44	-1.0	-65.73	379.65	3.84	-61.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2=NNC(=O)C=C2)=C1	REAL300020228619	1	44	-1.0	-65.74	379.60	3.82	-61.92
O=C(NC1=CC=CC(C2=NNC(=O)C=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228620	0	44	-1.0	-52.41	360.24	3.41	-49.00
O=C(NC1=CC=CC(C2=NNC(=O)C=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228620	1	44	-1.0	-52.41	360.30	3.43	-48.98
O=C(NC1=CC=CC(C2=NNC(=O)C=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228621	0	41	-1.0	-67.46	344.85	2.49	-64.97
O=C(NC1=CC=CC(C2=NNC(=O)C=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228621	1	41	-1.0	-67.45	344.90	2.51	-64.94
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NNC(=O)C=C2)=C1)C1=N[N-]N=N1	REAL300020228622	0	44	-1.0	-55.49	388.40	2.46	-53.03
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NNC(=O)C=C2)=C1)C1=NN=N[N-]1	REAL300020228622	1	44	-1.0	-55.48	388.45	2.48	-53.00
O=C(NC1=CC=CC(C2=NNC(=O)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228623	0	41	-1.0	-53.95	346.21	2.55	-51.40
O=C(NC1=CC=CC(C2=NNC(=O)C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228623	1	41	-1.0	-53.98	346.29	2.55	-51.43
O=C(NC1=CC=CC(C2=NNC(=O)C=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228624	0	47	-1.0	-48.14	374.87	3.56	-44.58
O=C(NC1=CC=CC(C2=NNC(=O)C=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228624	1	47	-1.0	-48.13	374.91	3.59	-44.54
COC1=CC=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228625	0	39	-1.0	-44.55	332.79	4.35	-40.20
COC1=CC=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228625	1	39	-1.0	-44.56	332.85	4.37	-40.19
COC1=CC=C(Br)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228626	0	36	-1.0	-56.31	317.11	3.46	-52.85
COC1=CC=C(Br)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228626	1	36	-1.0	-56.31	317.16	3.48	-52.83
COC1=CC=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228627	0	36	-1.0	-44.48	318.44	3.51	-40.97
COC1=CC=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228627	1	36	-1.0	-44.50	318.51	3.53	-40.97
COC1=CC=C(Br)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228628	0	42	-1.0	-50.26	340.39	5.24	-45.02
COC1=CC=C(Br)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228628	1	42	-1.0	-50.21	340.45	5.24	-44.97
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C(C(F)F)=C1	REAL300020228629	0	38	-1.0	-54.32	351.15	6.11	-48.21
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C(C(F)F)=C1	REAL300020228629	1	38	-1.0	-54.38	351.09	6.08	-48.30
O=C(NC1=CC=C(Cl)C(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228630	0	38	-1.0	-42.12	332.06	5.61	-36.51
O=C(NC1=CC=C(Cl)C(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228630	1	38	-1.0	-42.11	332.12	5.63	-36.48
O=C(NC1=CC=C(Cl)C(C(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228631	0	35	-1.0	-51.90	313.31	4.63	-47.27
O=C(NC1=CC=C(Cl)C(C(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228631	1	35	-1.0	-51.93	313.37	4.65	-47.28
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(C(F)F)=C1)C1=N[N-]N=N1	REAL300020228632	0	38	-1.0	-52.72	360.11	4.68	-48.04
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(C(F)F)=C1)C1=NN=N[N-]1	REAL300020228632	1	38	-1.0	-52.78	360.17	4.69	-48.09
O=C(NC1=CC=C(Cl)C(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228633	0	35	-1.0	-47.48	317.95	4.77	-42.71
O=C(NC1=CC=C(Cl)C(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228633	1	35	-1.0	-47.44	318.02	4.78	-42.66
O=C(NC1=CC=C(Cl)C(C(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228634	0	41	-1.0	-39.10	344.44	5.81	-33.29
O=C(NC1=CC=C(Cl)C(C(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228634	1	41	-1.0	-39.06	344.45	5.82	-33.24
CC(=O)N1CCCC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020228635	0	49	-1.0	-58.30	395.32	6.36	-51.94
CC(=O)N1CCCC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020228635	1	49	-1.0	-58.25	395.26	6.33	-51.92
CC(=O)N1CCCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020228636	0	49	-1.0	-52.58	376.30	5.89	-46.69
CC(=O)N1CCCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020228636	1	49	-1.0	-52.56	376.35	5.90	-46.66
CC(=O)N1CCCC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020228637	0	46	-1.0	-65.94	360.23	4.87	-61.07
CC(=O)N1CCCC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020228637	1	46	-1.0	-65.95	360.29	4.89	-61.06
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CCCN2C(C)=O)C1=N[N-]N=N1	REAL300020228638	0	49	-1.0	-57.02	404.15	4.90	-52.12
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CCCN2C(C)=O)C1=NN=N[N-]1	REAL300020228638	1	49	-1.0	-57.00	404.20	4.92	-52.08
CC(=O)N1CCCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020228639	0	46	-1.0	-55.87	361.57	4.91	-50.96
CC(=O)N1CCCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020228639	1	46	-1.0	-55.90	361.64	4.93	-50.97
CC(=O)N1CCCC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020228640	0	52	-1.0	-53.22	388.70	6.15	-47.07
CC(=O)N1CCCC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020228640	1	52	-1.0	-53.21	388.74	6.16	-47.05
CC1=CC(C2=CC=CC(Cl)=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228641	0	48	-1.0	-45.34	393.43	9.13	-36.21
CC1=CC(C2=CC=CC(Cl)=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228641	1	48	-1.0	-45.33	393.49	9.15	-36.18
CC1=CC(C2=CC=CC(Cl)=C2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228642	0	45	-1.0	-59.02	376.97	8.18	-50.84
CC1=CC(C2=CC=CC(Cl)=C2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228642	1	45	-1.0	-59.04	377.03	8.21	-50.83
CC1=CC(C2=CC=CC(Cl)=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228643	0	45	-1.0	-46.18	378.51	8.23	-37.95
CC1=CC(C2=CC=CC(Cl)=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228643	1	45	-1.0	-46.19	378.58	8.24	-37.95
O=C(NC1=CC=C(OC2CCCC2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228644	0	48	-1.0	-41.85	396.22	4.65	-37.20
O=C(NC1=CC=C(OC2CCCC2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228644	1	48	-1.0	-41.88	396.16	4.63	-37.25
O=C(NC1=CC=C(OC2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228645	0	48	-1.0	-43.99	377.18	4.18	-39.81
O=C(NC1=CC=C(OC2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228645	1	48	-1.0	-43.95	377.12	4.16	-39.79
O=C(NC1=CC=C(OC2CCCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228646	0	45	-1.0	-53.06	361.78	3.27	-49.79
O=C(NC1=CC=C(OC2CCCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228646	1	45	-1.0	-53.11	361.72	3.26	-49.85
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCCC2)N=C1)C1=NN=N[N-]1	REAL300020228647	0	48	-1.0	-46.78	405.54	3.20	-43.58
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCCC2)N=C1)C1=N[N-]N=N1	REAL300020228647	1	48	-1.0	-46.76	405.48	3.18	-43.58
O=C(NC1=CC=C(OC2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228648	0	45	-1.0	-43.35	363.18	3.31	-40.04
O=C(NC1=CC=C(OC2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228648	1	45	-1.0	-43.38	363.11	3.31	-40.07
O=C(NC1=CC=C(OC2CCCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228649	0	51	-1.0	-40.45	392.20	4.30	-36.15
O=C(NC1=CC=C(OC2CCCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228649	1	51	-1.0	-40.62	391.74	4.27	-36.35
O=C(NC1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228650	0	40	-1.0	-52.01	360.68	3.11	-48.90
O=C(NC1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228650	1	40	-1.0	-52.06	360.62	3.10	-48.96
O=C(NC1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228651	0	40	-1.0	-43.70	362.09	3.16	-40.54
O=C(NC1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228651	1	40	-1.0	-43.72	362.01	3.15	-40.57
O=C(NC1=CC=C(N2C=CN=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228652	0	41	-1.0	-64.63	355.67	4.66	-59.97
O=C(NC1=CC=C(N2C=CN=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228652	1	41	-1.0	-64.60	355.61	4.63	-59.97
O=C(NC1=CC=C(N2C=CN=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228653	0	41	-1.0	-52.12	336.68	4.19	-47.93
O=C(NC1=CC=C(N2C=CN=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228653	1	41	-1.0	-52.16	336.62	4.18	-47.98
O=C(NC1=CC=C(N2C=CN=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228654	0	38	-1.0	-54.30	320.91	3.31	-50.99
O=C(NC1=CC=C(N2C=CN=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228654	1	38	-1.0	-54.34	320.85	3.29	-51.05
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL300020228655	0	41	-1.0	-57.62	364.71	3.24	-54.38
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL300020228655	1	41	-1.0	-57.59	364.65	3.22	-54.37
O=C(NC1=CC=C(N2C=CN=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228656	0	38	-1.0	-52.68	322.56	3.33	-49.35
O=C(NC1=CC=C(N2C=CN=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228656	1	38	-1.0	-52.69	322.48	3.32	-49.37
O=C(NC1=CC=C(N2C=CN=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228657	0	44	-1.0	-48.71	342.04	5.15	-43.56
O=C(NC1=CC=C(N2C=CN=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228657	1	44	-1.0	-48.72	342.00	5.14	-43.58
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC=C1N1CCCCC1	REAL300020228658	0	50	-1.0	-41.41	405.72	6.68	-34.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC=C1N1CCCCC1	REAL300020228658	1	50	-1.0	-41.37	405.66	6.65	-34.72
O=C(NC1=CC(F)=CC=C1N1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228659	0	50	-1.0	-42.29	385.07	6.28	-36.01
O=C(NC1=CC(F)=CC=C1N1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228659	1	50	-1.0	-42.29	385.13	6.30	-35.99
O=C(NC1=CC(F)=CC=C1N1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020228660	0	47	-1.0	-55.54	371.35	5.29	-50.25
O=C(NC1=CC(F)=CC=C1N1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020228660	1	47	-1.0	-55.57	371.40	5.31	-50.26
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1N1CCCCC1)C1=N[N-]N=N1	REAL300020228661	0	50	-1.0	-46.47	414.07	5.30	-41.17
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1N1CCCCC1)C1=NN=N[N-]1	REAL300020228661	1	50	-1.0	-46.45	414.13	5.31	-41.14
O=C(NC1=CC(F)=CC=C1N1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228662	0	47	-1.0	-43.46	372.75	5.32	-38.14
O=C(NC1=CC(F)=CC=C1N1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228662	1	47	-1.0	-43.46	372.82	5.34	-38.12
O=C(NC1=CC(F)=CC=C1N1CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228663	0	53	-1.0	-42.35	400.69	6.50	-35.85
O=C(NC1=CC(F)=CC=C1N1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228663	1	53	-1.0	-42.40	400.74	6.52	-35.88
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N1CCSCC1	REAL300020228664	0	51	-1.0	-43.29	402.85	6.79	-36.50
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N1CCSCC1	REAL300020228664	1	51	-1.0	-43.34	402.91	6.80	-36.54
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N1CCSCC1	REAL300020228665	0	48	-1.0	-52.71	387.42	5.89	-46.82
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N1CCSCC1	REAL300020228665	1	48	-1.0	-52.72	387.48	5.91	-46.81
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1CCSCC1	REAL300020228666	0	48	-1.0	-44.02	388.75	5.96	-38.06
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCSCC1	REAL300020228666	1	48	-1.0	-44.08	388.83	5.97	-38.11
O=C(NC1=CC=C(CCCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228667	0	54	-1.0	-44.92	428.66	10.36	-34.56
O=C(NC1=CC=C(CCCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228667	1	54	-1.0	-45.00	428.72	10.38	-34.62
O=C(NC1=CC=C(CCCC2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228668	0	51	-1.0	-57.72	414.26	9.42	-48.30
O=C(NC1=CC=C(CCCC2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228668	1	51	-1.0	-57.75	414.32	9.43	-48.32
O=C(NC1=CC=C(CCCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228669	0	51	-1.0	-45.30	415.62	9.46	-35.84
O=C(NC1=CC=C(CCCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228669	1	51	-1.0	-45.30	415.69	9.48	-35.82
CN1C=CC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C21	REAL300020228670	0	42	-1.0	-52.52	356.13	6.58	-45.94
CN1C=CC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C21	REAL300020228670	1	42	-1.0	-52.55	356.07	6.56	-45.99
CN1C=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300020228671	0	42	-1.0	-46.06	336.28	6.07	-39.99
CN1C=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300020228671	1	42	-1.0	-46.09	336.34	6.09	-40.00
CN1C=CC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020228672	0	39	-1.0	-57.58	321.77	5.15	-52.43
CN1C=CC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020228672	1	39	-1.0	-57.54	321.83	5.17	-52.37
CSCC[C@H](NC(=O)NC1=C2C=CN(C)C2=CC=C1)C1=N[N-]N=N1	REAL300020228673	0	42	-1.0	-51.66	365.30	5.11	-46.55
CSCC[C@H](NC(=O)NC1=C2C=CN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300020228673	1	42	-1.0	-51.64	365.35	5.13	-46.51
CN1C=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020228674	0	39	-1.0	-47.26	323.78	5.19	-42.07
CN1C=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020228674	1	39	-1.0	-47.22	323.85	5.20	-42.02
CN1C=CC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020228675	0	45	-1.0	-46.36	349.07	6.20	-40.16
CN1C=CC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020228675	1	45	-1.0	-46.39	349.11	6.20	-40.19
O=C(NC1=CC=CC(CCCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228676	0	54	-1.0	-46.65	429.98	10.32	-36.33
O=C(NC1=CC=CC(CCCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228676	1	54	-1.0	-46.62	430.04	10.33	-36.29
O=C(NC1=CC=CC(CCCC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228677	0	51	-1.0	-54.33	414.60	9.39	-44.94
O=C(NC1=CC=CC(CCCC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228677	1	51	-1.0	-54.33	414.66	9.41	-44.92
O=C(NC1=CC=CC(CCCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228678	0	51	-1.0	-44.99	415.65	9.47	-35.52
O=C(NC1=CC=CC(CCCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228678	1	51	-1.0	-45.00	415.72	9.48	-35.52
CC1=C(Br)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228679	0	38	-1.0	-50.75	339.70	6.20	-44.55
CC1=C(Br)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228679	1	38	-1.0	-50.75	339.64	6.18	-44.57
CC1=C(Br)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228680	0	38	-1.0	-41.76	319.40	5.70	-36.06
CC1=C(Br)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228680	1	38	-1.0	-41.77	319.46	5.72	-36.05
CC1=C(Br)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228681	0	35	-1.0	-51.63	304.20	4.78	-46.85
CC1=C(Br)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228681	1	35	-1.0	-51.66	304.26	4.79	-46.87
CSCC[C@H](NC(=O)NC1=CC=CC(Br)=C1C)C1=N[N-]N=N1	REAL300020228682	0	38	-1.0	-44.81	347.90	4.72	-40.09
CSCC[C@H](NC(=O)NC1=CC=CC(Br)=C1C)C1=NN=N[N-]1	REAL300020228682	1	38	-1.0	-44.83	347.96	4.73	-40.10
CC1=C(Br)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228683	0	35	-1.0	-41.66	305.75	4.82	-36.84
CC1=C(Br)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228683	1	35	-1.0	-41.71	305.83	4.84	-36.87
CC1=C(Br)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228684	0	41	-1.0	-46.64	328.01	6.52	-40.12
CC1=C(Br)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228684	1	41	-1.0	-46.65	328.06	6.52	-40.13
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OCC(F)F	REAL300020228685	0	45	-1.0	-57.87	387.67	6.03	-51.84
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OCC(F)F	REAL300020228685	1	45	-1.0	-57.82	387.73	6.05	-51.77
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OCC(F)F	REAL300020228686	0	45	-1.0	-47.22	368.21	5.61	-41.61
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OCC(F)F	REAL300020228686	1	45	-1.0	-47.19	368.27	5.63	-41.56
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OCC(F)F	REAL300020228687	0	42	-1.0	-58.29	352.92	4.69	-53.60
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OCC(F)F	REAL300020228687	1	42	-1.0	-58.31	352.98	4.71	-53.60
CSCC[C@H](NC(=O)NC1=CC=C(C)C(OCC(F)F)=C1)C1=N[N-]N=N1	REAL300020228688	0	45	-1.0	-51.67	396.72	4.62	-47.05
CSCC[C@H](NC(=O)NC1=CC=C(C)C(OCC(F)F)=C1)C1=NN=N[N-]1	REAL300020228688	1	45	-1.0	-51.63	396.77	4.64	-46.99
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC(F)F	REAL300020228689	0	42	-1.0	-47.64	354.30	4.75	-42.89
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC(F)F	REAL300020228689	1	42	-1.0	-47.64	354.37	4.75	-42.89
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OCC(F)F	REAL300020228690	0	48	-1.0	-42.62	380.92	5.75	-36.87
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OCC(F)F	REAL300020228690	1	48	-1.0	-42.59	380.96	5.76	-36.83
COC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C2SC(C)=NC2=C1	REAL300020228691	0	44	-1.0	-43.96	384.72	4.34	-39.62
COC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C2SC(C)=NC2=C1	REAL300020228691	1	44	-1.0	-43.97	384.67	4.31	-39.66
COC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C2SC(C)=NC2=C1	REAL300020228692	0	44	-1.0	-45.24	364.15	3.82	-41.42
COC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C2SC(C)=NC2=C1	REAL300020228692	1	44	-1.0	-45.21	364.21	3.84	-41.37
COC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C2SC(C)=NC2=C1	REAL300020228693	0	41	-1.0	-56.34	350.35	2.89	-53.45
COC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C2SC(C)=NC2=C1	REAL300020228693	1	41	-1.0	-56.30	350.41	2.92	-53.38
COC1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C2SC(C)=NC2=C1	REAL300020228694	0	44	-1.0	-49.38	393.06	2.86	-46.52
COC1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C2SC(C)=NC2=C1	REAL300020228694	1	44	-1.0	-49.31	393.12	2.88	-46.43
COC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C2SC(C)=NC2=C1	REAL300020228695	0	41	-1.0	-45.58	351.72	2.95	-42.63
COC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C2SC(C)=NC2=C1	REAL300020228695	1	41	-1.0	-45.58	351.79	2.96	-42.62
COC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C2SC(C)=NC2=C1	REAL300020228696	0	47	-1.0	-52.62	373.35	4.80	-47.82
COC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C2SC(C)=NC2=C1	REAL300020228696	1	47	-1.0	-52.68	373.40	4.80	-47.88
CC(C)(C)SC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020228697	0	48	-1.0	-55.93	393.41	7.44	-48.49
CC(C)(C)SC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020228697	1	48	-1.0	-55.93	393.35	7.42	-48.51
CC(C)(C)SC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020228698	0	48	-1.0	-44.60	374.07	6.97	-37.63
CC(C)(C)SC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020228698	1	48	-1.0	-44.61	374.13	6.98	-37.63
CC(C)(C)SC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020228699	0	45	-1.0	-54.13	358.30	6.07	-48.06
CC(C)(C)SC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020228699	1	45	-1.0	-54.17	358.36	6.09	-48.08
CSCC[C@H](NC(=O)NC1=CC=C(SC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020228700	0	48	-1.0	-47.22	402.24	6.02	-41.20
CSCC[C@H](NC(=O)NC1=CC=C(SC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020228700	1	48	-1.0	-47.27	402.30	6.03	-41.24
CC(C)(C)SC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020228701	0	45	-1.0	-43.52	360.46	6.09	-37.43
CC(C)(C)SC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020228701	1	45	-1.0	-43.55	360.53	6.10	-37.45
CC(C)(C)SC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020228702	0	51	-1.0	-48.60	381.98	7.85	-40.75
CC(C)(C)SC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020228702	1	51	-1.0	-48.57	382.04	7.84	-40.73
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1N1N=NN=C1C	REAL300020228703	0	47	-1.0	-49.28	382.49	3.77	-45.51
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1N1N=NN=C1C	REAL300020228703	1	47	-1.0	-49.36	382.55	3.78	-45.58
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1N1N=NN=C1C	REAL300020228704	0	44	-1.0	-53.25	367.06	2.92	-50.33
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1N1N=NN=C1C	REAL300020228704	1	44	-1.0	-53.27	367.12	2.93	-50.34
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1N=NN=C1C	REAL300020228705	0	44	-1.0	-50.23	368.44	2.92	-47.31
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1N=NN=C1C	REAL300020228705	1	44	-1.0	-50.28	368.51	2.93	-47.35
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1N1N=NN=C1C	REAL300020228706	0	50	-1.0	-39.29	397.14	3.98	-35.31
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1N1N=NN=C1C	REAL300020228706	1	50	-1.0	-39.33	397.19	3.99	-35.34
CC1=CSC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=N1	REAL300020228707	0	44	-1.0	-58.01	389.45	6.26	-51.75
CC1=CSC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=N1	REAL300020228707	1	44	-1.0	-58.03	389.39	6.24	-51.79
CC1=CSC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300020228708	0	44	-1.0	-47.95	370.53	5.77	-42.18
CC1=CSC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300020228708	1	44	-1.0	-47.90	370.47	5.76	-42.14
CC1=CSC(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020228709	0	41	-1.0	-59.48	354.83	4.88	-54.60
CC1=CSC(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020228709	1	41	-1.0	-59.48	354.77	4.86	-54.62
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC(C)=CS2)=C1)C1=NN=N[N-]1	REAL300020228710	0	44	-1.0	-52.69	398.62	4.81	-47.88
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC(C)=CS2)=C1)C1=N[N-]N=N1	REAL300020228710	1	44	-1.0	-52.67	398.56	4.80	-47.87
CC1=CSC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020228711	0	41	-1.0	-47.79	356.49	4.90	-42.89
CC1=CSC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020228711	1	41	-1.0	-47.75	356.41	4.89	-42.86
CC1=CSC(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020228712	0	47	-1.0	-42.50	382.89	5.94	-36.56
CC1=CSC(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020228712	1	47	-1.0	-42.47	382.85	5.93	-36.54
O=C(NC1=CC=C(N2CCSCC2)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228713	0	45	-1.0	-56.42	383.15	5.52	-50.90
O=C(NC1=CC=C(N2CCSCC2)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228713	1	45	-1.0	-56.43	383.21	5.54	-50.89
O=C(NC1=CC=C(N2CCSCC2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228714	0	45	-1.0	-45.14	384.53	5.58	-39.56
O=C(NC1=CC=C(N2CCSCC2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228714	1	45	-1.0	-45.17	384.60	5.59	-39.58
O=C(NC1=CC(Cl)=CC=C1N1CCSCC1)N1CCCC1C1=N[N-]N=N1	REAL300020228715	0	45	-1.0	-51.88	382.33	5.64	-46.24
O=C(NC1=CC(Cl)=CC=C1N1CCSCC1)N1CCCC1C1=NN=N[N-]1	REAL300020228715	1	45	-1.0	-51.90	382.39	5.67	-46.23
O=C(NC1=CC(Cl)=CC=C1N1CCSCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228716	0	45	-1.0	-42.91	383.67	5.69	-37.22
O=C(NC1=CC(Cl)=CC=C1N1CCSCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228716	1	45	-1.0	-42.85	383.74	5.71	-37.14
COC1=NC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228717	0	38	-1.0	-41.36	330.06	1.76	-39.60
COC1=NC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228717	1	38	-1.0	-41.35	330.01	1.74	-39.61
COC1=NC=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228718	0	35	-1.0	-50.94	315.38	0.85	-50.09
COC1=NC=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228718	1	35	-1.0	-50.96	315.32	0.83	-50.13
COC1=NC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228719	0	35	-1.0	-41.53	316.91	0.89	-40.64
COC1=NC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228719	1	35	-1.0	-41.50	316.83	0.87	-40.63
COC1=NC=C(Br)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228720	0	41	-1.0	-46.91	338.97	2.62	-44.29
COC1=NC=C(Br)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228720	1	41	-1.0	-46.89	338.92	2.61	-44.28
O=C(NC1=CC=C2NC=CC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228721	0	39	-1.0	-46.89	334.33	4.87	-42.02
O=C(NC1=CC=C2NC=CC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228721	1	39	-1.0	-46.88	334.28	4.84	-42.04
O=C(NC1=CC=C2NC=CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228722	0	39	-1.0	-46.26	315.68	4.30	-41.96
O=C(NC1=CC=C2NC=CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228722	1	39	-1.0	-46.27	315.73	4.31	-41.96
CSCC[C@H](NC(=O)NC1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL300020228723	0	39	-1.0	-49.30	343.79	3.35	-45.95
CSCC[C@H](NC(=O)NC1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL300020228723	1	39	-1.0	-49.31	343.85	3.37	-45.94
O=C(NC1=CC=C2NC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228724	0	42	-1.0	-46.21	327.96	4.47	-41.74
O=C(NC1=CC=C2NC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228724	1	42	-1.0	-46.18	328.03	4.48	-41.70
O=C(NC1=CC=CC(OCC2=CSC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228725	0	45	-1.0	-45.46	378.60	4.64	-40.82
O=C(NC1=CC=CC(OCC2=CSC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228725	1	45	-1.0	-45.52	378.66	4.66	-40.86
O=C(NC1=CC=CC(OCC2=CSC=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228726	0	42	-1.0	-62.10	362.87	3.77	-58.33
O=C(NC1=CC=CC(OCC2=CSC=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228726	1	42	-1.0	-62.11	362.93	3.79	-58.32
O=C(NC1=CC=CC(OCC2=CSC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228727	0	42	-1.0	-45.20	364.21	3.82	-41.38
O=C(NC1=CC=CC(OCC2=CSC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228727	1	42	-1.0	-45.18	364.29	3.83	-41.35
O=C(NC1=CC=CC(OCC2=CSC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228728	0	48	-1.0	-44.73	392.90	4.85	-39.88
O=C(NC1=CC=CC(OCC2=CSC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228728	1	48	-1.0	-44.73	392.95	4.88	-39.85
O=C(NC1=CC=C(N2CCC3=C(C=CS3)C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228729	0	48	-1.0	-55.94	384.57	5.34	-50.60
O=C(NC1=CC=C(N2CCC3=C(C=CS3)C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228729	1	48	-1.0	-55.97	384.63	5.37	-50.60
O=C(NC1=CC=C(N2CCC3=C(C=CS3)C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228730	0	48	-1.0	-46.44	386.08	5.37	-41.07
O=C(NC1=CC=C(N2CCC3=C(C=CS3)C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228730	1	48	-1.0	-46.50	386.16	5.39	-41.11
CC(C)(C)OC(=O)N1CCC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020228731	0	53	-1.0	-54.86	415.17	6.29	-48.57
CC(C)(C)OC(=O)N1CCC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020228731	1	53	-1.0	-54.83	415.23	6.31	-48.52
CC(C)(C)OC(=O)N1CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020228732	0	53	-1.0	-46.17	416.28	6.37	-39.80
CC(C)(C)OC(=O)N1CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020228732	1	53	-1.0	-46.19	416.35	6.38	-39.81
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1)C1=COC=C1	REAL300020228733	0	46	-1.0	-49.34	379.43	4.28	-45.06
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1)C1=COC=C1	REAL300020228733	1	46	-1.0	-49.34	379.48	4.30	-45.04
O=C(NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1)C1=COC=C1	REAL300020228734	0	43	-1.0	-56.45	364.06	3.37	-53.08
O=C(NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1)C1=COC=C1	REAL300020228734	1	43	-1.0	-56.49	364.11	3.38	-53.11
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)C1=COC=C1	REAL300020228735	0	43	-1.0	-48.91	365.38	3.44	-45.47
O=C(NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C1=COC=C1	REAL300020228735	1	43	-1.0	-48.94	365.45	3.45	-45.49
O=C(NC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1)C1=COC=C1	REAL300020228736	0	49	-1.0	-56.21	394.55	4.46	-51.75
O=C(NC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1)C1=COC=C1	REAL300020228736	1	49	-1.0	-56.17	394.60	4.48	-51.69
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1C(=O)N1CCCC1	REAL300020228737	0	52	-1.0	-46.31	398.68	6.29	-40.02
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1C(=O)N1CCCC1	REAL300020228737	1	52	-1.0	-46.30	398.73	6.31	-39.99
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1C(=O)N1CCCC1	REAL300020228738	0	49	-1.0	-53.93	382.81	5.32	-48.61
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1C(=O)N1CCCC1	REAL300020228738	1	49	-1.0	-53.91	382.87	5.35	-48.56
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1C(=O)N1CCCC1	REAL300020228739	0	49	-1.0	-45.71	384.02	5.38	-40.33
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1C(=O)N1CCCC1	REAL300020228739	1	49	-1.0	-45.73	384.09	5.40	-40.33
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1C(=O)N1CCCC1	REAL300020228740	0	55	-1.0	-53.64	405.88	7.12	-46.52
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1C(=O)N1CCCC1	REAL300020228740	1	55	-1.0	-53.68	405.93	7.13	-46.55
CCOCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228741	0	45	-1.0	-53.48	380.08	5.49	-47.99
CCOCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228741	1	45	-1.0	-53.49	380.03	5.47	-48.02
CCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228742	0	45	-1.0	-47.21	361.11	4.98	-42.23
CCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228742	1	45	-1.0	-47.23	361.17	5.00	-42.23
CCOCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228743	0	42	-1.0	-53.01	345.73	4.06	-48.95
CCOCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228743	1	42	-1.0	-53.03	345.79	4.08	-48.95
CCOCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020228744	0	45	-1.0	-46.49	388.95	4.06	-42.43
CCOCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020228744	1	45	-1.0	-46.49	389.01	4.08	-42.41
CCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228745	0	42	-1.0	-43.95	346.77	4.14	-39.81
CCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228745	1	42	-1.0	-43.95	346.85	4.15	-39.80
CCOCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228746	0	48	-1.0	-48.85	369.08	5.87	-42.98
CCOCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228746	1	48	-1.0	-48.82	369.13	5.89	-42.93
CCOCCOC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228747	0	49	-1.0	-46.09	407.09	5.36	-40.73
CCOCCOC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228747	1	49	-1.0	-46.12	407.15	5.37	-40.75
CCOCCOC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228748	0	46	-1.0	-55.21	390.58	4.46	-50.75
CCOCCOC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228748	1	46	-1.0	-55.23	390.63	4.49	-50.74
CCOCCOC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228749	0	46	-1.0	-46.72	392.73	4.52	-42.20
CCOCCOC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228749	1	46	-1.0	-46.74	392.81	4.53	-42.21
COC1=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C=C1	REAL300020228750	0	44	-1.0	-45.49	376.54	3.67	-41.82
COC1=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C=C1	REAL300020228750	1	44	-1.0	-45.49	376.48	3.65	-41.84
COC1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300020228751	0	44	-1.0	-47.32	357.46	3.18	-44.14
COC1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300020228751	1	44	-1.0	-47.33	357.41	3.17	-44.16
COC1=NC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300020228752	0	41	-1.0	-55.98	342.20	2.26	-53.72
COC1=NC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300020228752	1	41	-1.0	-56.00	342.15	2.24	-53.76
COC1=NC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2C=C1	REAL300020228753	0	44	-1.0	-47.52	385.74	2.22	-45.30
COC1=NC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2C=C1	REAL300020228753	1	44	-1.0	-47.48	385.68	2.20	-45.28
COC1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020228754	0	41	-1.0	-47.80	343.55	2.31	-45.49
COC1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020228754	1	41	-1.0	-47.75	343.48	2.30	-45.45
COC1=NC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020228755	0	47	-1.0	-41.74	371.83	3.38	-38.36
COC1=NC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020228755	1	47	-1.0	-41.75	371.78	3.36	-38.39
CN1C(=O)OC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020228756	0	41	-1.0	-61.83	357.36	4.75	-57.08
CN1C(=O)OC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020228756	1	41	-1.0	-61.84	357.30	4.73	-57.11
CN1C(=O)OC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020228757	0	41	-1.0	-45.49	338.24	4.24	-41.25
CN1C(=O)OC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020228757	1	41	-1.0	-45.53	338.30	4.25	-41.28
CN1C(=O)OC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020228758	0	38	-1.0	-61.72	322.97	3.31	-58.41
CN1C(=O)OC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020228758	1	38	-1.0	-61.72	323.03	3.33	-58.39
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)OC(=O)N2C)C1=N[N-]N=N1	REAL300020228759	0	41	-1.0	-54.07	366.49	3.28	-50.79
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)OC(=O)N2C)C1=NN=N[N-]1	REAL300020228759	1	41	-1.0	-54.03	366.54	3.30	-50.73
CN1C(=O)OC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020228760	0	38	-1.0	-54.20	324.10	3.41	-50.79
CN1C(=O)OC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020228760	1	38	-1.0	-54.17	324.17	3.42	-50.75
CN1C(=O)OC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020228761	0	44	-1.0	-42.24	350.76	4.41	-37.83
CN1C(=O)OC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020228761	1	44	-1.0	-42.22	350.80	4.43	-37.79
CC1=NN=NN1C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020228762	0	43	-1.0	-48.31	378.58	4.98	-43.33
CC1=NN=NN1C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020228762	1	43	-1.0	-48.24	378.52	4.95	-43.29
CC1=NN=NN1C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020228763	0	43	-1.0	-48.68	359.69	4.44	-44.24
CC1=NN=NN1C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020228763	1	43	-1.0	-48.70	359.75	4.46	-44.24
CC1=NN=NN1C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020228764	0	40	-1.0	-51.73	344.28	3.59	-48.14
CC1=NN=NN1C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020228764	1	40	-1.0	-51.77	344.34	3.60	-48.17
CSCC[C@H](NC(=O)NC1=CC=C(F)C(N2N=NN=C2C)=C1)C1=N[N-]N=N1	REAL300020228765	0	43	-1.0	-51.03	387.80	3.52	-47.51
CSCC[C@H](NC(=O)NC1=CC=C(F)C(N2N=NN=C2C)=C1)C1=NN=N[N-]1	REAL300020228765	1	43	-1.0	-51.04	387.86	3.54	-47.50
CC1=NN=NN1C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020228766	0	40	-1.0	-49.62	345.63	3.61	-46.01
CC1=NN=NN1C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020228766	1	40	-1.0	-49.60	345.70	3.61	-45.99
CC1=NN=NN1C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020228767	0	46	-1.0	-36.22	374.32	4.67	-31.55
CC1=NN=NN1C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020228767	1	46	-1.0	-36.21	374.37	4.67	-31.54
COCCOC1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228768	0	46	-1.0	-45.07	393.09	4.46	-40.61
COCCOC1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228768	1	46	-1.0	-45.04	393.04	4.43	-40.61
COCCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228769	0	46	-1.0	-47.11	374.92	3.94	-43.17
COCCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228769	1	46	-1.0	-47.14	374.97	3.96	-43.18
COCCOC1=CC=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228770	0	43	-1.0	-56.55	358.40	3.05	-53.50
COCCOC1=CC=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228770	1	43	-1.0	-56.57	358.46	3.07	-53.50
COCCOC1=CC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020228771	0	46	-1.0	-49.55	402.72	3.02	-46.53
COCCOC1=CC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020228771	1	46	-1.0	-49.54	402.78	3.03	-46.51
COCCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228772	0	43	-1.0	-47.57	360.55	3.10	-44.47
COCCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228772	1	43	-1.0	-47.57	360.63	3.12	-44.45
COCCOC1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228773	0	49	-1.0	-54.72	382.38	4.83	-49.89
COCCOC1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228773	1	49	-1.0	-54.71	382.44	4.84	-49.87
N#CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020228774	0	36	-1.0	-46.47	329.95	5.21	-41.26
N#CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020228774	1	36	-1.0	-46.47	329.89	5.18	-41.29
N#CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020228775	0	36	-1.0	-42.96	310.94	4.68	-38.28
N#CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020228775	1	36	-1.0	-42.95	311.00	4.70	-38.25
N#CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020228776	0	33	-1.0	-59.93	295.26	3.82	-56.11
N#CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020228776	1	33	-1.0	-59.95	295.32	3.83	-56.12
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C#N)=C1)C1=N[N-]N=N1	REAL300020228777	0	36	-1.0	-48.75	339.11	3.74	-45.01
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C#N)=C1)C1=NN=N[N-]1	REAL300020228777	1	36	-1.0	-48.73	339.17	3.76	-44.97
N#CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020228778	0	33	-1.0	-48.95	296.64	3.88	-45.07
N#CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020228778	1	33	-1.0	-48.91	296.72	3.88	-45.03
N#CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020228779	0	39	-1.0	-36.75	323.35	4.88	-31.87
N#CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020228779	1	39	-1.0	-36.64	323.39	4.89	-31.75
COC1=CC=C(SC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C=C1	REAL300020228780	0	47	-1.0	-54.98	398.41	6.79	-48.19
COC1=CC=C(SC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C=C1	REAL300020228780	1	47	-1.0	-54.99	398.47	6.81	-48.18
COC1=CC=C(SC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020228781	0	47	-1.0	-45.97	399.96	6.85	-39.12
COC1=CC=C(SC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020228781	1	47	-1.0	-45.97	400.03	6.86	-39.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(N2C=CC=N2)C(Cl)=C1	REAL300020228782	0	42	-1.0	-47.79	378.65	6.73	-41.06
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(N2C=CC=N2)C(Cl)=C1	REAL300020228782	1	42	-1.0	-47.76	378.59	6.71	-41.05
O=C(NC1=CC=C(N2C=CC=N2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228783	0	42	-1.0	-44.97	354.55	6.20	-38.77
O=C(NC1=CC=C(N2C=CC=N2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228783	1	42	-1.0	-44.92	354.50	6.19	-38.73
O=C(NC1=CC=C(N2C=CC=N2)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228784	0	39	-1.0	-57.51	344.29	5.32	-52.19
O=C(NC1=CC=C(N2C=CC=N2)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228784	1	39	-1.0	-57.54	344.23	5.31	-52.23
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC=N2)C(Cl)=C1)C1=NN=N[N-]1	REAL300020228785	0	42	-1.0	-50.81	387.49	5.32	-45.49
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC=N2)C(Cl)=C1)C1=N[N-]N=N1	REAL300020228785	1	42	-1.0	-50.78	387.44	5.30	-45.48
O=C(NC1=CC=C(N2C=CC=N2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228786	0	39	-1.0	-44.14	345.38	5.39	-38.75
O=C(NC1=CC=C(N2C=CC=N2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228786	1	39	-1.0	-44.09	345.31	5.39	-38.70
O=C(NC1=CC=C(N2C=CC=N2)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228787	0	45	-1.0	-52.72	367.83	7.11	-45.61
O=C(NC1=CC=C(N2C=CC=N2)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228787	1	45	-1.0	-52.68	367.78	7.10	-45.58
CC1=CC(OC(C)C2=CC=CC=C2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228788	0	52	-1.0	-56.40	415.14	8.18	-48.22
CC1=CC(OC(C)C2=CC=CC=C2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228788	1	52	-1.0	-56.42	415.19	8.21	-48.21
CC1=CC(OC(C)C2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228789	0	52	-1.0	-44.88	416.65	8.23	-36.65
CC1=CC(OC(C)C2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228789	1	52	-1.0	-44.84	416.73	8.24	-36.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(N2CCOCC2)C(F)=C1	REAL300020228790	0	48	-1.0	-58.48	397.34	3.86	-54.62
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(N2CCOCC2)C(F)=C1	REAL300020228790	1	48	-1.0	-58.49	397.39	3.89	-54.60
O=C(NC1=CC=C(N2CCOCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228791	0	48	-1.0	-46.50	378.14	3.41	-43.09
O=C(NC1=CC=C(N2CCOCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228791	1	48	-1.0	-46.49	378.20	3.43	-43.06
O=C(NC1=CC=C(N2CCOCC2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228792	0	45	-1.0	-58.91	362.59	2.53	-56.38
O=C(NC1=CC=C(N2CCOCC2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228792	1	45	-1.0	-58.91	362.65	2.54	-56.37
CSCC[C@H](NC(=O)NC1=CC=C(N2CCOCC2)C(F)=C1)C1=N[N-]N=N1	REAL300020228793	0	48	-1.0	-45.58	406.10	2.48	-43.10
CSCC[C@H](NC(=O)NC1=CC=C(N2CCOCC2)C(F)=C1)C1=NN=N[N-]1	REAL300020228793	1	48	-1.0	-45.58	406.16	2.50	-43.08
O=C(NC1=CC=C(N2CCOCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228794	0	45	-1.0	-46.87	363.97	2.58	-44.29
O=C(NC1=CC=C(N2CCOCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228794	1	45	-1.0	-46.91	364.04	2.59	-44.32
O=C(NC1=CC=C(N2CCOCC2)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228795	0	51	-1.0	-41.48	385.77	3.29	-38.19
O=C(NC1=CC=C(N2CCOCC2)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228795	1	51	-1.0	-41.55	385.81	3.31	-38.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(C(F)(F)F)=CC=C1F	REAL300020228796	0	38	-1.0	-53.43	347.74	5.88	-47.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(C(F)(F)F)=CC=C1F	REAL300020228796	1	38	-1.0	-53.39	347.80	5.90	-47.49
O=C(NC1=CC(C(F)(F)F)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228797	0	38	-1.0	-42.34	327.30	5.43	-36.91
O=C(NC1=CC(C(F)(F)F)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228797	1	38	-1.0	-42.39	327.36	5.45	-36.94
O=C(NC1=CC(C(F)(F)F)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020228798	0	35	-1.0	-53.98	313.12	4.51	-49.47
O=C(NC1=CC(C(F)(F)F)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020228798	1	35	-1.0	-53.97	313.17	4.52	-49.45
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=CC=C1F)C1=N[N-]N=N1	REAL300020228799	0	38	-1.0	-45.64	356.65	4.47	-41.17
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=CC=C1F)C1=NN=N[N-]1	REAL300020228799	1	38	-1.0	-45.64	356.71	4.48	-41.16
O=C(NC1=CC(C(F)(F)F)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020228800	0	35	-1.0	-43.04	313.67	4.54	-38.50
O=C(NC1=CC(C(F)(F)F)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020228800	1	35	-1.0	-43.09	313.75	4.56	-38.53
O=C(NC1=CC(C(F)(F)F)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020228801	0	41	-1.0	-47.87	336.64	6.29	-41.58
O=C(NC1=CC(C(F)(F)F)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020228801	1	41	-1.0	-47.82	336.70	6.28	-41.54
N#CC1=CC=C(OC(F)F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228802	0	40	-1.0	-58.62	361.22	4.88	-53.74
N#CC1=CC=C(OC(F)F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228802	1	40	-1.0	-58.61	361.16	4.86	-53.75
N#CC1=CC=C(OC(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228803	0	40	-1.0	-46.91	343.58	4.37	-42.54
N#CC1=CC=C(OC(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228803	1	40	-1.0	-46.95	343.63	4.38	-42.57
N#CC1=CC=C(OC(F)F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228804	0	37	-1.0	-57.99	327.87	3.47	-54.52
N#CC1=CC=C(OC(F)F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228804	1	37	-1.0	-58.04	327.93	3.50	-54.54
CSCC[C@H](NC(=O)NC1=CC(C#N)=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020228805	0	40	-1.0	-51.02	370.55	3.45	-47.57
CSCC[C@H](NC(=O)NC1=CC(C#N)=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020228805	1	40	-1.0	-51.03	370.61	3.46	-47.57
N#CC1=CC=C(OC(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228806	0	37	-1.0	-46.81	328.43	3.52	-43.29
N#CC1=CC=C(OC(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228806	1	37	-1.0	-46.83	328.51	3.53	-43.30
N#CC1=CC=C(OC(F)F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228807	0	43	-1.0	-51.44	351.11	5.27	-46.17
N#CC1=CC=C(OC(F)F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228807	1	43	-1.0	-51.48	351.17	5.27	-46.21
COC(=O)NC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020228808	0	43	-1.0	-51.38	375.74	3.10	-48.28
COC(=O)NC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020228808	1	43	-1.0	-51.32	375.68	3.07	-48.25
COC(=O)NC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020228809	0	43	-1.0	-43.48	355.73	2.56	-40.92
COC(=O)NC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020228809	1	43	-1.0	-43.53	355.79	2.58	-40.95
COC(=O)NC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020228810	0	40	-1.0	-51.57	341.39	1.69	-49.88
COC(=O)NC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020228810	1	40	-1.0	-51.56	341.45	1.70	-49.86
COC(=O)NC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020228811	0	43	-1.0	-46.12	384.85	1.70	-44.42
COC(=O)NC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020228811	1	43	-1.0	-46.09	384.91	1.72	-44.37
COC(=O)NC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020228812	0	40	-1.0	-43.20	342.77	1.76	-41.44
COC(=O)NC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020228812	1	40	-1.0	-43.15	342.84	1.76	-41.39
COC(=O)NC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020228813	0	46	-1.0	-43.48	367.70	2.96	-40.52
COC(=O)NC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020228813	1	46	-1.0	-43.44	367.74	2.96	-40.48
CSCCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020228814	0	45	-1.0	-54.77	390.94	7.43	-47.34
CSCCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020228814	1	45	-1.0	-54.78	390.88	7.41	-47.37
CSCCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020228815	0	45	-1.0	-44.02	371.89	6.96	-37.06
CSCCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020228815	1	45	-1.0	-44.04	371.94	6.97	-37.07
CSCCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020228816	0	42	-1.0	-53.67	356.38	6.04	-47.63
CSCCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020228816	1	42	-1.0	-53.66	356.44	6.06	-47.60
CSCCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020228817	0	45	-1.0	-48.90	399.91	6.00	-42.90
CSCCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020228817	1	45	-1.0	-48.88	399.97	6.02	-42.86
CSCCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020228818	0	42	-1.0	-44.38	357.49	6.13	-38.25
CSCCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020228818	1	42	-1.0	-44.41	357.57	6.13	-38.28
CSCCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020228819	0	48	-1.0	-48.49	379.67	7.88	-40.61
CSCCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020228819	1	48	-1.0	-48.51	379.72	7.88	-40.63
CC(C)(C)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020228820	0	43	-1.0	-40.58	360.59	5.90	-34.68
CC(C)(C)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NO1	REAL300020228820	1	43	-1.0	-40.51	360.54	5.88	-34.63
CC(C)(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020228821	0	43	-1.0	-42.12	341.36	5.43	-36.69
CC(C)(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020228821	1	43	-1.0	-42.09	341.30	5.41	-36.68
CC(C)(C)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL300020228822	0	40	-1.0	-50.12	325.94	4.52	-45.60
CC(C)(C)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL300020228822	1	40	-1.0	-50.12	325.89	4.50	-45.62
CSCC[C@H](NC(=O)NC1=NOC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020228823	0	43	-1.0	-44.12	369.56	4.49	-39.63
CSCC[C@H](NC(=O)NC1=NOC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020228823	1	43	-1.0	-44.13	369.50	4.47	-39.66
CC(C)(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020228824	0	40	-1.0	-41.09	327.43	4.57	-36.52
CC(C)(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020228824	1	40	-1.0	-41.01	327.35	4.56	-36.45
CC(C)(C)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020228825	0	46	-1.0	-46.53	349.53	6.32	-40.21
CC(C)(C)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020228825	1	46	-1.0	-46.55	349.49	6.30	-40.25
NC(=O)CCSC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228826	0	46	-1.0	-45.88	399.24	3.65	-42.23
NC(=O)CCSC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228826	1	46	-1.0	-45.87	399.19	3.62	-42.25
NC(=O)CCSC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228827	0	46	-1.0	-48.13	380.45	3.15	-44.98
NC(=O)CCSC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228827	1	46	-1.0	-48.15	380.51	3.17	-44.98
NC(=O)CCSC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228828	0	43	-1.0	-59.17	365.89	2.26	-56.91
NC(=O)CCSC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228828	1	43	-1.0	-59.14	365.95	2.28	-56.86
CSCC[C@H](NC(=O)NC1=CC=CC=C1SCCC(N)=O)C1=N[N-]N=N1	REAL300020228829	0	46	-1.0	-51.84	408.55	2.20	-49.64
CSCC[C@H](NC(=O)NC1=CC=CC=C1SCCC(N)=O)C1=NN=N[N-]1	REAL300020228829	1	46	-1.0	-51.89	408.61	2.22	-49.67
NC(=O)CCSC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228830	0	43	-1.0	-47.72	366.38	2.31	-45.41
NC(=O)CCSC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228830	1	43	-1.0	-47.71	366.46	2.31	-45.40
NC(=O)CCSC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228831	0	49	-1.0	-46.32	391.01	3.31	-43.01
NC(=O)CCSC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228831	1	49	-1.0	-46.32	391.04	3.32	-43.00
CCOC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228832	0	42	-1.0	-44.12	356.18	5.23	-38.89
CCOC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228832	1	42	-1.0	-44.11	356.23	5.24	-38.87
CCOC1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228833	0	39	-1.0	-53.81	339.66	4.34	-49.47
CCOC1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228833	1	39	-1.0	-53.80	339.72	4.37	-49.43
CCOC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228834	0	39	-1.0	-44.12	341.82	4.39	-39.73
CCOC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228834	1	39	-1.0	-44.17	341.89	4.40	-39.77
CC(C)OC(=O)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228835	0	47	-1.0	-48.47	396.05	7.21	-41.26
CC(C)OC(=O)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228835	1	47	-1.0	-48.47	396.11	7.22	-41.25
CC(C)OC(=O)C1=CC=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228836	0	44	-1.0	-62.72	380.35	6.32	-56.40
CC(C)OC(=O)C1=CC=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228836	1	44	-1.0	-62.72	380.41	6.35	-56.37
CC(C)OC(=O)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228837	0	44	-1.0	-48.47	381.69	6.37	-42.10
CC(C)OC(=O)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228837	1	44	-1.0	-48.47	381.76	6.38	-42.09
CC1=CC(OCC2=CC=CC(F)=C2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228838	0	49	-1.0	-56.46	403.82	7.61	-48.85
CC1=CC(OCC2=CC=CC(F)=C2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228838	1	49	-1.0	-56.46	403.88	7.63	-48.83
CC1=CC(OCC2=CC=CC(F)=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228839	0	49	-1.0	-45.36	405.34	7.65	-37.71
CC1=CC(OCC2=CC=CC(F)=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228839	1	49	-1.0	-45.38	405.41	7.67	-37.71
C=C(C)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228840	0	46	-1.0	-46.00	386.99	6.38	-39.62
C=C(C)COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228840	1	46	-1.0	-45.99	386.93	6.36	-39.63
C=C(C)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228841	0	46	-1.0	-49.21	367.53	5.90	-43.31
C=C(C)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228841	1	46	-1.0	-49.22	367.58	5.91	-43.31
C=C(C)COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228842	0	43	-1.0	-63.14	352.14	5.02	-58.12
C=C(C)COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228842	1	43	-1.0	-63.08	352.20	5.03	-58.05
C=C(C)COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020228843	0	46	-1.0	-46.84	395.70	4.99	-41.85
C=C(C)COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020228843	1	46	-1.0	-46.83	395.75	5.00	-41.83
C=C(C)COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228844	0	43	-1.0	-49.16	353.78	5.04	-44.12
C=C(C)COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228844	1	43	-1.0	-49.14	353.86	5.06	-44.08
C=C(C)COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228845	0	49	-1.0	-49.21	375.82	6.80	-42.41
C=C(C)COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228845	1	49	-1.0	-49.20	375.88	6.81	-42.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C=C1C(F)(F)F	REAL300020228846	0	38	-1.0	-38.31	342.99	6.09	-32.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C=C1C(F)(F)F	REAL300020228846	1	38	-1.0	-38.33	343.04	6.11	-32.22
O=C(NC1=CC=C(F)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228847	0	38	-1.0	-40.06	323.79	5.65	-34.41
O=C(NC1=CC=C(F)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228847	1	38	-1.0	-40.05	323.84	5.66	-34.39
O=C(NC1=CC=C(F)C=C1C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020228848	0	35	-1.0	-46.55	308.69	4.71	-41.84
O=C(NC1=CC=C(F)C=C1C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020228848	1	35	-1.0	-46.55	308.74	4.74	-41.81
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020228849	0	38	-1.0	-42.26	353.29	4.70	-37.56
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020228849	1	38	-1.0	-42.31	353.35	4.72	-37.59
O=C(NC1=CC=C(F)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020228850	0	35	-1.0	-38.55	310.20	4.76	-33.79
O=C(NC1=CC=C(F)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020228850	1	35	-1.0	-38.54	310.28	4.77	-33.77
O=C(NC1=CC=C(F)C=C1C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020228851	0	41	-1.0	-44.11	332.65	6.60	-37.51
O=C(NC1=CC=C(F)C=C1C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020228851	1	41	-1.0	-44.13	332.70	6.60	-37.53
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC=C1Cl	REAL300020228852	0	35	-1.0	-52.71	323.18	5.48	-47.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC=C1Cl	REAL300020228852	1	35	-1.0	-52.70	323.13	5.46	-47.24
O=C(NC1=CC(F)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228853	0	35	-1.0	-42.63	305.59	4.98	-37.65
O=C(NC1=CC(F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228853	1	35	-1.0	-42.63	305.64	4.99	-37.64
O=C(NC1=CC(F)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020228854	0	32	-1.0	-53.65	289.88	4.09	-49.56
O=C(NC1=CC(F)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020228854	1	32	-1.0	-53.62	289.94	4.12	-49.50
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1Cl)C1=N[N-]N=N1	REAL300020228855	0	35	-1.0	-46.57	332.50	4.03	-42.54
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1Cl)C1=NN=N[N-]1	REAL300020228855	1	35	-1.0	-46.58	332.56	4.05	-42.53
O=C(NC1=CC(F)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020228856	0	32	-1.0	-42.57	291.23	4.14	-38.43
O=C(NC1=CC(F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020228856	1	32	-1.0	-42.54	291.30	4.15	-38.39
O=C(NC1=CC(F)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020228857	0	38	-1.0	-47.61	313.13	5.88	-41.73
O=C(NC1=CC(F)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020228857	1	38	-1.0	-47.58	313.18	5.88	-41.70
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1OCC(F)(F)F	REAL300020228858	0	45	-1.0	-44.55	370.90	5.95	-38.60
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1OCC(F)(F)F	REAL300020228858	1	45	-1.0	-44.49	370.95	5.96	-38.53
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1OCC(F)(F)F	REAL300020228859	0	42	-1.0	-53.38	355.87	5.01	-48.37
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1OCC(F)(F)F	REAL300020228859	1	42	-1.0	-53.41	355.93	5.03	-48.38
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1OCC(F)(F)F	REAL300020228860	0	42	-1.0	-44.34	357.24	5.06	-39.28
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1OCC(F)(F)F	REAL300020228860	1	42	-1.0	-44.44	357.31	5.07	-39.37
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1OCC(F)(F)F	REAL300020228861	0	48	-1.0	-49.39	379.51	6.78	-42.61
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1OCC(F)(F)F	REAL300020228861	1	48	-1.0	-49.38	379.57	6.79	-42.59
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(N)=O	REAL300020228862	0	42	-1.0	-44.03	353.78	2.27	-41.76
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(N)=O	REAL300020228862	1	42	-1.0	-44.04	353.72	2.24	-41.80
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(N)=O	REAL300020228863	0	42	-1.0	-45.19	334.79	1.75	-43.44
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(N)=O	REAL300020228863	1	42	-1.0	-45.22	334.84	1.76	-43.46
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020228864	0	39	-1.0	-52.46	319.49	0.83	-51.63
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(N)=O	REAL300020228864	1	39	-1.0	-52.50	319.54	0.85	-51.65
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020228865	0	42	-1.0	-47.46	362.98	0.79	-46.67
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020228865	1	42	-1.0	-47.47	363.04	0.80	-46.67
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(N)=O	REAL300020228866	0	39	-1.0	-45.11	320.85	0.90	-44.21
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(N)=O	REAL300020228866	1	39	-1.0	-45.13	320.93	0.90	-44.23
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(N)=O	REAL300020228867	0	45	-1.0	-42.57	349.23	1.79	-40.78
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(N)=O	REAL300020228867	1	45	-1.0	-42.59	349.28	1.81	-40.78
O=C(NC1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228868	0	41	-1.0	-52.59	358.07	2.21	-50.38
O=C(NC1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228868	1	41	-1.0	-52.58	358.12	2.23	-50.35
O=C(NC1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228869	0	38	-1.0	-57.43	342.68	1.29	-56.14
O=C(NC1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228869	1	38	-1.0	-57.37	342.74	1.31	-56.06
O=C(NC1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228870	0	38	-1.0	-53.34	344.02	1.34	-52.00
O=C(NC1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228870	1	38	-1.0	-53.32	344.10	1.36	-51.96
CSCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020228871	0	42	-1.0	-54.51	369.43	6.64	-47.87
CSCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020228871	1	42	-1.0	-54.53	369.38	6.62	-47.91
CSCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020228872	0	42	-1.0	-44.27	348.99	6.23	-38.04
CSCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020228872	1	42	-1.0	-44.28	349.04	6.24	-38.04
CSCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020228873	0	39	-1.0	-53.43	334.88	5.25	-48.18
CSCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020228873	1	39	-1.0	-53.40	334.94	5.27	-48.13
CSCC[C@H](NC(=O)NC1=CC=C(CSC)C=C1)C1=N[N-]N=N1	REAL300020228874	0	42	-1.0	-49.55	378.41	5.21	-44.34
CSCC[C@H](NC(=O)NC1=CC=C(CSC)C=C1)C1=NN=N[N-]1	REAL300020228874	1	42	-1.0	-49.54	378.46	5.23	-44.31
CSCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020228875	0	39	-1.0	-44.67	335.99	5.34	-39.33
CSCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020228875	1	39	-1.0	-44.69	336.06	5.34	-39.35
CSCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020228876	0	45	-1.0	-41.30	362.68	6.35	-34.95
CSCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020228876	1	45	-1.0	-41.29	362.72	6.36	-34.93
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020228877	0	42	-1.0	-45.00	351.10	5.01	-39.99
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020228877	1	42	-1.0	-45.00	351.05	4.98	-40.02
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020228878	0	42	-1.0	-43.79	332.07	4.49	-39.30
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020228878	1	42	-1.0	-43.85	332.13	4.51	-39.34
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020228879	0	39	-1.0	-55.45	315.64	3.54	-51.91
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020228879	1	39	-1.0	-55.46	315.70	3.56	-51.90
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020228880	0	42	-1.0	-46.87	360.30	3.54	-43.33
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020228880	1	42	-1.0	-46.87	360.36	3.56	-43.31
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020228881	0	39	-1.0	-44.36	317.16	3.58	-40.78
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020228881	1	39	-1.0	-44.39	317.23	3.60	-40.79
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020228882	0	45	-1.0	-50.56	339.60	5.42	-45.14
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020228882	1	45	-1.0	-50.58	339.65	5.43	-45.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(SC(F)F)=C1	REAL300020228883	0	39	-1.0	-57.36	353.12	6.02	-51.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(SC(F)F)=C1	REAL300020228883	1	39	-1.0	-57.29	353.06	5.99	-51.30
O=C(NC1=CC=CC(SC(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228884	0	39	-1.0	-44.32	332.71	5.59	-38.73
O=C(NC1=CC=CC(SC(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228884	1	39	-1.0	-44.30	332.77	5.61	-38.69
O=C(NC1=CC=CC(SC(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228885	0	36	-1.0	-58.55	318.31	4.66	-53.89
O=C(NC1=CC=CC(SC(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228885	1	36	-1.0	-58.57	318.37	4.67	-53.90
CSCC[C@H](NC(=O)NC1=CC=CC(SC(F)F)=C1)C1=N[N-]N=N1	REAL300020228886	0	39	-1.0	-51.71	362.10	4.59	-47.12
CSCC[C@H](NC(=O)NC1=CC=CC(SC(F)F)=C1)C1=NN=N[N-]1	REAL300020228886	1	39	-1.0	-51.71	362.16	4.60	-47.11
O=C(NC1=CC=CC(SC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228887	0	36	-1.0	-47.04	319.96	4.69	-42.35
O=C(NC1=CC=CC(SC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228887	1	36	-1.0	-47.05	320.03	4.69	-42.36
O=C(NC1=CC=CC(SC(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228888	0	42	-1.0	-42.43	348.33	5.75	-36.68
O=C(NC1=CC=CC(SC(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228888	1	42	-1.0	-42.46	348.39	5.76	-36.70
O=C(NC1=CC(F)=CC=C1OC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228889	0	46	-1.0	-42.60	377.89	7.36	-35.24
O=C(NC1=CC(F)=CC=C1OC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228889	1	46	-1.0	-42.63	377.95	7.38	-35.25
O=C(NC1=CC(F)=CC=C1OC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228890	0	43	-1.0	-53.88	363.52	6.41	-47.47
O=C(NC1=CC(F)=CC=C1OC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228890	1	43	-1.0	-53.86	363.58	6.42	-47.44
O=C(NC1=CC(F)=CC=C1OC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228891	0	43	-1.0	-43.47	365.46	6.44	-37.03
O=C(NC1=CC(F)=CC=C1OC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228891	1	43	-1.0	-43.46	365.54	6.45	-37.01
O=C(NC1=CC(F)=CC=C1OC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228892	0	49	-1.0	-50.57	386.05	8.23	-42.34
O=C(NC1=CC(F)=CC=C1OC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228892	1	49	-1.0	-50.55	386.10	8.23	-42.32
NC(=O)CCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228893	0	49	-1.0	-57.43	398.51	0.25	-57.18
NC(=O)CCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228893	1	49	-1.0	-57.47	398.57	0.26	-57.21
NC(=O)CCNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228894	0	46	-1.0	-86.43	384.14	-0.69	-87.12
NC(=O)CCNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228894	1	46	-1.0	-86.44	384.20	-0.67	-87.11
NC(=O)CCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228895	0	46	-1.0	-67.95	385.50	-0.63	-68.58
NC(=O)CCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228895	1	46	-1.0	-68.01	385.57	-0.63	-68.64
CC1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020228896	0	36	-1.0	-42.99	314.80	2.74	-40.25
CC1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020228896	1	36	-1.0	-42.97	314.75	2.72	-40.25
CSCC[C@H](NC(=O)NC1=CN=C(C)N=C1)C1=N[N-]N=N1	REAL300020228897	0	36	-1.0	-47.70	323.59	1.34	-46.36
CSCC[C@H](NC(=O)NC1=CN=C(C)N=C1)C1=NN=N[N-]1	REAL300020228897	1	36	-1.0	-47.68	323.65	1.35	-46.33
CC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020228898	0	39	-1.0	-39.96	308.49	2.41	-37.55
CC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020228898	1	39	-1.0	-39.93	308.53	2.42	-37.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(C2CC2)N=C1	REAL300020228899	0	40	-1.0	-43.27	345.32	4.43	-38.84
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(C2CC2)N=C1	REAL300020228899	1	40	-1.0	-43.26	345.26	4.40	-38.86
O=C(NC1=CN=C(C2CC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228900	0	40	-1.0	-45.04	326.35	3.94	-41.10
O=C(NC1=CN=C(C2CC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228900	1	40	-1.0	-45.07	326.41	3.96	-41.11
O=C(NC1=CN=C(C2CC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228901	0	37	-1.0	-55.39	310.63	3.06	-52.33
O=C(NC1=CN=C(C2CC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228901	1	37	-1.0	-55.45	310.69	3.09	-52.36
CSCC[C@H](NC(=O)NC1=CN=C(C2CC2)N=C1)C1=N[N-]N=N1	REAL300020228902	0	40	-1.0	-48.31	354.10	3.02	-45.29
CSCC[C@H](NC(=O)NC1=CN=C(C2CC2)N=C1)C1=NN=N[N-]1	REAL300020228902	1	40	-1.0	-48.31	354.16	3.04	-45.27
O=C(NC1=CN=C(C2CC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228903	0	37	-1.0	-45.02	311.94	3.12	-41.90
O=C(NC1=CN=C(C2CC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228903	1	37	-1.0	-45.03	312.02	3.13	-41.90
O=C(NC1=CN=C(C2CC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228904	0	43	-1.0	-51.60	331.62	4.91	-46.69
O=C(NC1=CN=C(C2CC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228904	1	43	-1.0	-51.65	331.67	4.92	-46.73
CN1C=CN=C1C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228905	0	45	-1.0	-71.73	379.02	6.59	-65.14
CN1C=CN=C1C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228905	1	45	-1.0	-71.74	379.08	6.61	-65.13
CN1C=CN=C1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228906	0	45	-1.0	-48.23	359.29	6.14	-42.09
CN1C=CN=C1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228906	1	45	-1.0	-48.28	359.35	6.15	-42.13
CN1C=CN=C1C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228907	0	42	-1.0	-74.12	343.93	5.25	-68.87
CN1C=CN=C1C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228907	1	42	-1.0	-74.12	343.99	5.27	-68.85
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC=CN2C)=C1)C1=N[N-]N=N1	REAL300020228908	0	45	-1.0	-64.31	387.85	5.21	-59.10
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC=CN2C)=C1)C1=NN=N[N-]1	REAL300020228908	1	45	-1.0	-64.31	387.91	5.22	-59.09
CN1C=CN=C1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228909	0	42	-1.0	-57.70	346.78	5.28	-52.42
CN1C=CN=C1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228909	1	42	-1.0	-57.71	346.85	5.29	-52.42
CN1C=CN=C1C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228910	0	48	-1.0	-51.03	374.31	6.30	-44.73
CN1C=CN=C1C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228910	1	48	-1.0	-51.10	374.36	6.29	-44.81
O=C(NC1=CC=NC(SC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228911	0	44	-1.0	-47.07	372.99	6.01	-41.06
O=C(NC1=CC=NC(SC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228911	1	44	-1.0	-47.07	372.93	6.00	-41.07
O=C(NC1=CC=NC(SC2=CC=CC=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228912	0	41	-1.0	-61.74	357.47	5.14	-56.60
O=C(NC1=CC=NC(SC2=CC=CC=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228912	1	41	-1.0	-61.75	357.41	5.12	-56.63
O=C(NC1=CC=NC(SC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228913	0	41	-1.0	-49.92	359.06	5.16	-44.76
O=C(NC1=CC=NC(SC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228913	1	41	-1.0	-49.89	358.98	5.15	-44.74
O=C(NC1=CC=NC(SC2=CC=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228914	0	47	-1.0	-45.15	387.41	6.19	-38.96
O=C(NC1=CC=NC(SC2=CC=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228914	1	47	-1.0	-45.20	387.36	6.19	-39.01
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020228915	0	38	-1.0	-53.25	329.89	5.49	-47.76
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020228915	1	38	-1.0	-53.27	329.83	5.47	-47.80
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020228916	0	38	-1.0	-42.77	310.96	4.97	-37.80
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020228916	1	38	-1.0	-42.80	311.01	4.99	-37.81
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C)=C1)C1=N[N-]N=N1	REAL300020228917	0	38	-1.0	-47.10	339.00	4.03	-43.07
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C)=C1)C1=NN=N[N-]1	REAL300020228917	1	38	-1.0	-47.09	339.06	4.05	-43.04
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020228918	0	41	-1.0	-38.73	325.26	5.17	-33.56
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020228918	1	41	-1.0	-38.73	325.31	5.20	-33.53
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300020228919	0	37	-1.0	-58.29	343.95	5.80	-52.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300020228919	1	37	-1.0	-58.31	343.89	5.78	-52.53
O=C(NC1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228920	0	37	-1.0	-46.74	324.69	5.33	-41.41
O=C(NC1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228920	1	37	-1.0	-46.76	324.75	5.34	-41.42
O=C(NC1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228921	0	34	-1.0	-56.45	309.14	4.44	-52.01
O=C(NC1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228921	1	34	-1.0	-56.44	309.20	4.46	-51.98
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300020228922	0	37	-1.0	-44.33	352.66	4.40	-39.93
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300020228922	1	37	-1.0	-44.35	352.71	4.42	-39.93
O=C(NC1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228923	0	34	-1.0	-47.06	310.77	4.47	-42.59
O=C(NC1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228923	1	34	-1.0	-47.07	310.85	4.47	-42.60
O=C(NC1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228924	0	40	-1.0	-36.27	339.18	5.51	-30.76
O=C(NC1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228924	1	40	-1.0	-36.25	339.23	5.54	-30.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300020228925	0	47	-1.0	-68.04	400.13	8.04	-60.00
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300020228925	1	47	-1.0	-68.03	400.07	8.02	-60.01
O=C(NC1=CC(C(=O)C2=CC=CC=C2)=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228926	0	47	-1.0	-55.52	380.95	7.53	-47.99
O=C(NC1=CC(C(=O)C2=CC=CC=C2)=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228926	1	47	-1.0	-55.56	381.01	7.55	-48.01
O=C(NC1=CC(C(=O)C2=CC=CC=C2)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228927	0	44	-1.0	-73.36	365.00	6.63	-66.73
O=C(NC1=CC(C(=O)C2=CC=CC=C2)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228927	1	44	-1.0	-73.33	365.06	6.64	-66.69
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020228928	0	47	-1.0	-63.40	408.52	6.60	-56.80
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020228928	1	47	-1.0	-63.40	408.58	6.62	-56.78
O=C(NC1=CC(C(=O)C2=CC=CC=C2)=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228929	0	44	-1.0	-56.50	366.35	6.68	-49.82
O=C(NC1=CC(C(=O)C2=CC=CC=C2)=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228929	1	44	-1.0	-56.52	366.42	6.70	-49.82
O=C(NC1=CC(C(=O)C2=CC=CC=C2)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228930	0	50	-1.0	-40.32	391.11	7.71	-32.61
O=C(NC1=CC(C(=O)C2=CC=CC=C2)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228930	1	50	-1.0	-40.31	391.15	7.70	-32.61
CC1=NC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C2C=C1	REAL300020228931	0	43	-1.0	-55.03	363.97	5.98	-49.05
CC1=NC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C2C=C1	REAL300020228931	1	43	-1.0	-54.98	363.91	5.96	-49.02
CC1=NC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C2C=C1	REAL300020228932	0	43	-1.0	-46.69	346.36	5.44	-41.25
CC1=NC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C2C=C1	REAL300020228932	1	43	-1.0	-46.72	346.42	5.45	-41.27
CC1=NC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C2C=C1	REAL300020228933	0	40	-1.0	-57.40	329.83	4.56	-52.84
CC1=NC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C2C=C1	REAL300020228933	1	40	-1.0	-57.40	329.88	4.57	-52.83
CSCC[C@H](NC(=O)NC1=CC=CC2=CC=C(C)N=C21)C1=N[N-]N=N1	REAL300020228934	0	43	-1.0	-50.55	373.34	4.51	-46.04
CSCC[C@H](NC(=O)NC1=CC=CC2=CC=C(C)N=C21)C1=NN=N[N-]1	REAL300020228934	1	43	-1.0	-50.55	373.40	4.53	-46.02
CC1=NC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C2C=C1	REAL300020228935	0	40	-1.0	-46.66	332.00	4.59	-42.07
CC1=NC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C2C=C1	REAL300020228935	1	40	-1.0	-46.71	332.07	4.60	-42.11
CC1=NC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2C=C1	REAL300020228936	0	46	-1.0	-53.34	353.35	6.37	-46.97
CC1=NC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2C=C1	REAL300020228936	1	46	-1.0	-53.36	353.40	6.38	-46.98
O=C(NC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228937	0	49	-1.0	-45.06	394.13	7.61	-37.45
O=C(NC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228937	1	49	-1.0	-45.09	394.19	7.63	-37.46
O=C(NC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228938	0	46	-1.0	-55.34	380.04	6.64	-48.70
O=C(NC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228938	1	46	-1.0	-55.35	380.09	6.66	-48.69
CSCC[C@H](NC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020228939	0	49	-1.0	-51.02	423.56	6.61	-44.41
CSCC[C@H](NC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020228939	1	49	-1.0	-51.03	423.62	6.62	-44.41
O=C(NC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228940	0	46	-1.0	-45.28	381.41	6.70	-38.58
O=C(NC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228940	1	46	-1.0	-45.31	381.48	6.71	-38.60
O=C(NC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228941	0	52	-1.0	-50.74	403.33	8.47	-42.27
O=C(NC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228941	1	52	-1.0	-50.75	403.38	8.48	-42.27
O=C(NC1=NN=C2C=CC=CN21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228942	0	37	-1.0	-54.71	326.77	7.78	-46.93
O=C(NC1=NN=C2C=CC=CN21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228942	1	37	-1.0	-54.73	326.71	7.75	-46.98
O=C(NC1=NN=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228943	0	37	-1.0	-57.13	307.56	7.30	-49.83
O=C(NC1=NN=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228943	1	37	-1.0	-57.13	307.50	7.29	-49.84
CSCC[C@H](NC(=O)NC1=NN=C2C=CC=CN21)C1=NN=N[N-]1	REAL300020228944	0	37	-1.0	-61.95	335.75	6.35	-55.60
CSCC[C@H](NC(=O)NC1=NN=C2C=CC=CN21)C1=N[N-]N=N1	REAL300020228944	1	37	-1.0	-61.98	335.69	6.34	-55.64
O=C(NC1=NN=C2C=CC=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020228945	0	40	-1.0	-67.91	316.05	8.17	-59.74
O=C(NC1=NN=C2C=CC=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020228945	1	40	-1.0	-67.88	316.00	8.16	-59.72
CCCS(=O)(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020228946	0	49	-1.0	-58.29	399.63	2.80	-55.49
CCCS(=O)(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020228946	1	49	-1.0	-58.33	399.69	2.81	-55.52
CCCS(=O)(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020228947	0	49	-1.0	-48.91	401.11	2.84	-46.07
CCCS(=O)(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020228947	1	49	-1.0	-48.90	401.19	2.85	-46.05
CC(C)N(C)C(=O)C1=CC=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228948	0	48	-1.0	-69.67	392.94	5.39	-64.28
CC(C)N(C)C(=O)C1=CC=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228948	1	48	-1.0	-69.65	393.00	5.41	-64.24
CC(C)N(C)C(=O)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228949	0	48	-1.0	-54.18	394.28	5.44	-48.74
CC(C)N(C)C(=O)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228949	1	48	-1.0	-54.19	394.35	5.46	-48.73
O=C(NC1=C(C2=CC=CS2)N=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228950	0	45	-1.0	-46.50	380.78	8.36	-38.14
O=C(NC1=C(C2=CC=CS2)N=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228950	1	45	-1.0	-46.50	380.72	8.34	-38.16
O=C(NC1=C(C2=CC=CS2)N=C2C=CC=CN21)N1CCCC1C1=NN=N[N-]1	REAL300020228951	0	42	-1.0	-55.59	361.67	7.45	-48.14
O=C(NC1=C(C2=CC=CS2)N=C2C=CC=CN21)N1CCCC1C1=N[N-]N=N1	REAL300020228951	1	42	-1.0	-55.58	361.61	7.42	-48.16
O=C(NC1=C(C2=CC=CS2)N=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020228952	0	42	-1.0	-45.39	362.69	7.51	-37.88
O=C(NC1=C(C2=CC=CS2)N=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020228952	1	42	-1.0	-45.40	362.62	7.49	-37.91
CC(C)N(C)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228953	0	49	-1.0	-53.85	391.50	6.66	-47.19
CC(C)N(C)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228953	1	49	-1.0	-53.90	391.44	6.63	-47.27
CC(C)N(C)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228954	0	49	-1.0	-44.32	373.99	6.11	-38.21
CC(C)N(C)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228954	1	49	-1.0	-44.27	374.05	6.13	-38.14
CC(C)N(C)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228955	0	46	-1.0	-56.50	358.37	5.21	-51.29
CC(C)N(C)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228955	1	46	-1.0	-56.50	358.43	5.23	-51.27
CSCC[C@H](NC(=O)NC1=CC=CC(N(C)C(C)C)=C1)C1=N[N-]N=N1	REAL300020228956	0	49	-1.0	-48.46	401.42	5.19	-43.27
CSCC[C@H](NC(=O)NC1=CC=CC(N(C)C(C)C)=C1)C1=NN=N[N-]1	REAL300020228956	1	49	-1.0	-48.44	401.48	5.21	-43.23
CC(C)N(C)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228957	0	46	-1.0	-44.28	359.28	5.28	-39.00
CC(C)N(C)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228957	1	46	-1.0	-44.34	359.35	5.28	-39.06
CC(C)N(C)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228958	0	52	-1.0	-43.88	388.80	6.30	-37.58
CC(C)N(C)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228958	1	52	-1.0	-43.88	388.88	6.30	-37.58
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228959	0	45	-1.0	-55.04	386.37	8.04	-47.00
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228959	1	45	-1.0	-55.05	386.43	8.06	-46.99
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228960	0	45	-1.0	-50.11	367.46	7.55	-42.56
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228960	1	45	-1.0	-50.05	367.51	7.57	-42.48
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228961	0	42	-1.0	-57.08	352.03	6.63	-50.45
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228961	1	42	-1.0	-57.08	352.09	6.65	-50.43
CSCC[C@H](NC(=O)NC1=CC=C(CN2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300020228962	0	45	-1.0	-54.06	395.56	6.59	-47.47
CSCC[C@H](NC(=O)NC1=CC=C(CN2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300020228962	1	45	-1.0	-54.11	395.62	6.61	-47.50
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228963	0	42	-1.0	-48.85	353.42	6.68	-42.17
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228963	1	42	-1.0	-48.83	353.50	6.70	-42.13
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228964	0	48	-1.0	-55.92	375.32	8.47	-47.45
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228964	1	48	-1.0	-55.92	375.37	8.48	-47.44
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228965	0	49	-1.0	-44.56	390.35	8.00	-36.56
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228965	1	49	-1.0	-44.54	390.40	8.02	-36.52
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020228966	0	46	-1.0	-57.49	374.59	7.07	-50.42
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020228966	1	46	-1.0	-57.51	374.65	7.09	-50.42
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1C)C1=N[N-]N=N1	REAL300020228967	0	49	-1.0	-48.03	418.28	7.01	-41.02
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1C)C1=NN=N[N-]1	REAL300020228967	1	49	-1.0	-48.09	418.34	7.02	-41.07
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020228968	0	46	-1.0	-45.15	376.39	7.12	-38.03
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020228968	1	46	-1.0	-45.14	376.46	7.13	-38.01
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020228969	0	52	-1.0	-52.15	397.41	8.84	-43.31
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020228969	1	52	-1.0	-52.15	397.45	8.87	-43.28
O=C(OCC1=CC=CC=C1)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228970	0	48	-1.0	-68.86	405.08	8.03	-60.83
O=C(OCC1=CC=CC=C1)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228970	1	48	-1.0	-68.84	405.13	8.05	-60.79
O=C(OCC1=CC=CC=C1)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228971	0	48	-1.0	-52.85	406.44	8.09	-44.76
O=C(OCC1=CC=CC=C1)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228971	1	48	-1.0	-52.87	406.51	8.09	-44.78
O=C(NC1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)N1CCCC1C1=NN=N[N-]1	REAL300020228972	0	37	-1.0	-45.74	339.91	3.05	-42.69
O=C(NC1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)N1CCCC1C1=N[N-]N=N1	REAL300020228972	1	37	-1.0	-45.74	339.85	3.03	-42.71
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)N1CCCC1C1=N[N-]N=N1	REAL300020228972	1	36	-2.0	-107.81	340.53	2.42	-105.39
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)N1CCCC1C1=NN=N[N-]1	REAL300020228972	1	36	-2.0	-107.85	340.59	2.44	-105.41
O=C(NC1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)N1CCC(C2=NN=N[N-]2)C1	REAL300020228973	0	37	-1.0	-47.20	343.46	3.53	-43.67
O=C(NC1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)N1CCC(C2=N[N-]N=N2)C1	REAL300020228973	1	37	-1.0	-47.18	343.39	3.52	-43.66
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)N1CCC(C2=NN=N[N-]2)C1	REAL300020228973	1	36	-2.0	-87.11	341.35	2.48	-84.63
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)N1CCC(C2=N[N-]N=N2)C1	REAL300020228973	1	36	-2.0	-87.13	341.28	2.47	-84.66
O=C(NC1=CC=C(F)C=C1C1=CC=C(Cl)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228974	0	42	-1.0	-50.38	368.66	8.04	-42.34
O=C(NC1=CC=C(F)C=C1C1=CC=C(Cl)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228974	1	42	-1.0	-50.34	368.72	8.05	-42.29
O=C(NC1=CC=C(F)C=C1C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228975	0	42	-1.0	-40.88	370.05	8.10	-32.78
O=C(NC1=CC=C(F)C=C1C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228975	1	42	-1.0	-40.87	370.12	8.10	-32.77
O=C(NC1=CC=C(F)C=C1C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020228976	0	45	-1.0	-41.61	372.35	8.45	-33.16
O=C(NC1=CC=C(F)C=C1C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020228976	1	45	-1.0	-41.62	372.41	8.46	-33.16
O=C(NC1=CC=C(F)C=C1C1=CC=C(F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020228977	0	42	-1.0	-50.69	358.34	7.59	-43.10
O=C(NC1=CC=C(F)C=C1C1=CC=C(F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020228977	1	42	-1.0	-50.71	358.40	7.60	-43.11
O=C(NC1=CC=C(F)C=C1C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020228978	0	42	-1.0	-41.30	359.73	7.64	-33.66
O=C(NC1=CC=C(F)C=C1C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020228978	1	42	-1.0	-41.29	359.80	7.65	-33.64
O=C(NC1=CC=C(F)C=C1C1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020228979	0	48	-1.0	-47.21	379.97	9.17	-38.04
O=C(NC1=CC=C(F)C=C1C1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020228979	1	48	-1.0	-47.22	380.02	9.17	-38.05
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020228980	0	44	-1.0	-49.55	373.58	6.03	-43.52
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020228980	1	44	-1.0	-49.55	373.52	6.00	-43.55
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020228981	0	44	-1.0	-44.36	354.96	5.47	-38.89
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020228981	1	44	-1.0	-44.40	355.02	5.49	-38.91
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020228982	0	41	-1.0	-52.58	338.82	4.58	-48.00
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020228982	1	41	-1.0	-52.60	338.88	4.59	-48.01
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020228983	0	44	-1.0	-47.55	383.09	4.52	-43.03
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020228983	1	44	-1.0	-47.63	383.15	4.54	-43.09
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020228984	0	41	-1.0	-44.41	340.92	4.62	-39.79
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020228984	1	41	-1.0	-44.40	340.99	4.63	-39.77
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020228985	0	47	-1.0	-40.83	369.73	5.66	-35.17
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020228985	1	47	-1.0	-40.83	369.78	5.66	-35.17
COC(=O)CSCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228986	0	48	-1.0	-50.74	405.56	7.09	-43.65
COC(=O)CSCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228986	1	48	-1.0	-50.78	405.61	7.10	-43.68
COC(=O)CSCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228987	0	45	-1.0	-57.64	390.19	6.17	-51.47
COC(=O)CSCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228987	1	45	-1.0	-57.61	390.25	6.19	-51.42
COC(=O)CSCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228988	0	45	-1.0	-49.16	391.23	6.24	-42.92
COC(=O)CSCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228988	1	45	-1.0	-49.14	391.30	6.26	-42.88
CC1=NC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=NN1	REAL300020228989	0	44	-1.0	-51.32	380.46	5.48	-45.84
CC1=NC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=NN1	REAL300020228989	1	44	-1.0	-51.34	380.41	5.46	-45.88
CC1=NC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=NN1	REAL300020228990	0	44	-1.0	-52.85	361.03	5.04	-47.81
CC1=NC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=NN1	REAL300020228990	1	44	-1.0	-52.84	361.09	5.05	-47.79
CC1=NC(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=NN1	REAL300020228991	0	41	-1.0	-68.24	345.64	4.12	-64.12
CC1=NC(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=NN1	REAL300020228991	1	41	-1.0	-68.21	345.69	4.13	-64.08
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NNC(C)=N2)=C1)C1=N[N-]N=N1	REAL300020228992	0	44	-1.0	-56.10	389.44	4.05	-52.05
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NNC(C)=N2)=C1)C1=NN=N[N-]1	REAL300020228992	1	44	-1.0	-56.11	389.49	4.07	-52.04
CC1=NC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=NN1	REAL300020228993	0	41	-1.0	-54.09	346.99	4.16	-49.93
CC1=NC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=NN1	REAL300020228993	1	41	-1.0	-54.12	347.06	4.18	-49.94
CC1=NC(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=NN1	REAL300020228994	0	47	-1.0	-49.29	375.64	5.20	-44.09
CC1=NC(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=NN1	REAL300020228994	1	47	-1.0	-49.32	375.69	5.22	-44.10
CC(C)(C)C1=NN(C(C)(C)C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228995	0	56	-1.0	-50.45	439.32	8.17	-42.28
CC(C)(C)C1=NN(C(C)(C)C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228995	1	56	-1.0	-50.48	439.26	8.15	-42.33
CC(C)(C)C1=NN(C(C)(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228996	0	56	-1.0	-44.44	420.09	7.70	-36.74
CC(C)(C)C1=NN(C(C)(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228996	1	56	-1.0	-44.43	420.03	7.69	-36.74
CC(C)(C)C1=NN(C(C)(C)C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228997	0	53	-1.0	-55.88	404.66	6.77	-49.11
CC(C)(C)C1=NN(C(C)(C)C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228997	1	53	-1.0	-55.89	404.60	6.77	-49.12
CSCC[C@H](NC(=O)NC1=CC(C(C)(C)C)=NN1C(C)(C)C)C1=NN=N[N-]1	REAL300020228998	0	56	-1.0	-48.26	448.28	6.75	-41.51
CSCC[C@H](NC(=O)NC1=CC(C(C)(C)C)=NN1C(C)(C)C)C1=N[N-]N=N1	REAL300020228998	1	56	-1.0	-48.26	448.23	6.73	-41.53
CC(C)(C)C1=NN(C(C)(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228999	0	53	-1.0	-44.83	406.14	6.82	-38.01
CC(C)(C)C1=NN(C(C)(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228999	1	53	-1.0	-44.78	406.07	6.82	-37.96
CC(C)(C)C1=NN(C(C)(C)C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229000	0	59	-1.0	-52.54	428.13	8.58	-43.96
CC(C)(C)C1=NN(C(C)(C)C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229000	1	59	-1.0	-52.56	428.09	8.57	-43.99
NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020229001	0	39	-1.0	-61.14	341.78	1.69	-59.45
NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020229001	1	39	-1.0	-61.15	341.72	1.67	-59.48
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020229002	0	39	-1.0	-55.93	323.02	1.15	-54.78
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020229002	1	39	-1.0	-55.91	323.08	1.17	-54.74
NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020229003	0	36	-1.0	-64.04	307.76	0.23	-63.81
NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020229003	1	36	-1.0	-64.03	307.82	0.24	-63.79
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)C(F)=C1)C1=N[N-]N=N1	REAL300020229004	0	39	-1.0	-47.84	350.96	0.22	-47.62
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)C(F)=C1)C1=NN=N[N-]1	REAL300020229004	1	39	-1.0	-47.81	351.02	0.24	-47.57
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020229005	0	36	-1.0	-55.93	309.13	0.29	-55.64
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020229005	1	36	-1.0	-55.94	309.20	0.30	-55.64
NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020229006	0	42	-1.0	-45.95	337.43	1.37	-44.58
NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020229006	1	42	-1.0	-45.93	337.49	1.37	-44.56
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N(CC2CC2)N=C1	REAL300020229007	0	45	-1.0	-44.36	377.65	6.36	-38.00
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N(CC2CC2)N=C1	REAL300020229007	1	45	-1.0	-44.34	377.59	6.34	-38.00
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N(CC2CC2)N=C1	REAL300020229008	0	45	-1.0	-43.19	358.46	5.78	-37.41
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N(CC2CC2)N=C1	REAL300020229008	1	45	-1.0	-43.12	358.40	5.77	-37.35
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N(CC2CC2)N=C1	REAL300020229009	0	42	-1.0	-55.18	345.51	4.91	-50.27
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N(CC2CC2)N=C1	REAL300020229009	1	42	-1.0	-55.15	345.45	4.89	-50.26
CSCC[C@H](NC(=O)NC1=C(C)C=NN1CC1CC1)C1=NN=N[N-]1	REAL300020229010	0	45	-1.0	-45.01	384.21	4.81	-40.20
CSCC[C@H](NC(=O)NC1=C(C)C=NN1CC1CC1)C1=N[N-]N=N1	REAL300020229010	1	45	-1.0	-44.96	384.15	4.80	-40.16
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N(CC2CC2)N=C1	REAL300020229011	0	42	-1.0	-43.23	341.61	4.96	-38.27
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N(CC2CC2)N=C1	REAL300020229011	1	42	-1.0	-43.27	341.54	4.95	-38.32
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N(CC2CC2)N=C1	REAL300020229012	0	48	-1.0	-49.73	368.67	6.12	-43.61
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N(CC2CC2)N=C1	REAL300020229012	1	48	-1.0	-49.71	368.63	6.12	-43.59
CC1=CC=CC(OC(F)F)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229013	0	42	-1.0	-46.28	360.39	6.50	-39.78
CC1=CC=CC(OC(F)F)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229013	1	42	-1.0	-46.24	360.34	6.48	-39.76
CC1=CC=CC(OC(F)F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229014	0	42	-1.0	-46.39	341.55	6.07	-40.32
CC1=CC=CC(OC(F)F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229014	1	42	-1.0	-46.42	341.61	6.08	-40.34
CC1=CC=CC(OC(F)F)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229015	0	39	-1.0	-57.22	331.35	3.94	-53.28
CC1=CC=CC(OC(F)F)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229015	1	39	-1.0	-57.23	331.41	3.96	-53.27
CSCC[C@H](NC(=O)NC1=C(C)C=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020229016	0	42	-1.0	-50.00	375.02	3.93	-46.07
CSCC[C@H](NC(=O)NC1=C(C)C=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020229016	1	42	-1.0	-50.02	375.07	3.95	-46.07
CC1=CC=CC(OC(F)F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229017	0	39	-1.0	-47.30	332.74	3.98	-43.32
CC1=CC=CC(OC(F)F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229017	1	39	-1.0	-47.34	332.82	3.99	-43.35
CC1=CC=CC(OC(F)F)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229018	0	45	-1.0	-51.31	346.16	6.35	-44.96
CC1=CC=CC(OC(F)F)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229018	1	45	-1.0	-51.29	346.20	6.36	-44.93
CC(C)(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020229019	0	41	-2.0	-85.80	362.38	3.75	-82.05
CC(C)(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020229019	1	41	-2.0	-85.78	362.33	3.73	-82.05
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020229020	0	41	-2.0	-88.30	345.38	3.62	-84.68
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020229020	1	41	-2.0	-88.34	345.32	3.61	-84.73
CC(C)(C)C1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020229021	0	38	-2.0	-108.69	329.52	2.51	-106.18
CC(C)(C)C1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020229021	1	38	-2.0	-108.70	329.58	2.53	-106.17
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=NS1)C1=N[N-]N=N1	REAL300020229022	0	41	-2.0	-99.12	371.30	2.32	-96.80
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=NS1)C1=NN=N[N-]1	REAL300020229022	1	41	-2.0	-99.07	371.36	2.34	-96.73
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020229023	0	38	-2.0	-88.35	330.35	2.56	-85.79
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020229023	1	38	-2.0	-88.35	330.27	2.54	-85.81
CC(C)(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020229024	0	44	-2.0	-108.53	353.90	4.50	-104.03
CC(C)(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020229024	1	44	-2.0	-108.52	353.85	4.49	-104.03
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2NC(=O)CCCC2=C1	REAL300020229025	0	46	-1.0	-58.06	378.80	4.88	-53.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2NC(=O)CCCC2=C1	REAL300020229025	1	46	-1.0	-58.07	378.74	4.86	-53.21
O=C(NC1=CC=C2NC(=O)CCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229026	0	46	-1.0	-48.17	359.66	4.41	-43.76
O=C(NC1=CC=C2NC(=O)CCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229026	1	46	-1.0	-48.21	359.72	4.43	-43.78
O=C(NC1=CC=C2NC(=O)CCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229027	0	43	-1.0	-56.25	344.31	3.49	-52.76
O=C(NC1=CC=C2NC(=O)CCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229027	1	43	-1.0	-56.26	344.37	3.51	-52.75
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)CCCC2=C1)C1=N[N-]N=N1	REAL300020229028	0	46	-1.0	-51.95	387.76	3.45	-48.50
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)CCCC2=C1)C1=NN=N[N-]1	REAL300020229028	1	46	-1.0	-51.98	387.81	3.47	-48.51
O=C(NC1=CC=C2NC(=O)CCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229029	0	43	-1.0	-47.89	345.60	3.55	-44.34
O=C(NC1=CC=C2NC(=O)CCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229029	1	43	-1.0	-47.88	345.67	3.55	-44.33
O=C(NC1=CC=C2NC(=O)CCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229030	0	49	-1.0	-42.06	372.26	4.59	-37.47
O=C(NC1=CC=C2NC(=O)CCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229030	1	49	-1.0	-42.03	372.30	4.59	-37.44
CC(C)(C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1)C1=CC=CC=C1	REAL300020229031	0	48	-2.0	-100.79	398.22	6.27	-94.52
CC(C)(C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1)C1=CC=CC=C1	REAL300020229031	1	48	-2.0	-100.82	398.16	6.26	-94.56
CC(C)(C1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1)C1=CC=CC=C1	REAL300020229032	0	45	-2.0	-127.57	382.37	5.14	-122.43
CC(C)(C1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1)C1=CC=CC=C1	REAL300020229032	1	45	-2.0	-127.54	382.42	5.17	-122.37
CC(C)(C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1)C1=CC=CC=C1	REAL300020229033	0	45	-2.0	-103.10	383.19	5.21	-97.89
CC(C)(C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1)C1=CC=CC=C1	REAL300020229033	1	45	-2.0	-103.11	383.12	5.19	-97.92
CC(C)(C)CC1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020229034	0	52	-1.0	-44.63	405.90	4.66	-39.97
CC(C)(C)CC1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020229034	1	52	-1.0	-44.65	405.96	4.68	-39.97
CC(C)(C)CC1=NC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020229035	0	49	-1.0	-60.67	390.56	3.74	-56.93
CC(C)(C)CC1=NC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020229035	1	49	-1.0	-60.61	390.62	3.75	-56.86
CC(C)(C)CC1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020229036	0	49	-1.0	-51.90	391.66	3.83	-48.07
CC(C)(C)CC1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020229036	1	49	-1.0	-51.85	391.74	3.85	-48.00
CC(C)(C)CC1=NC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020229037	0	55	-1.0	-46.93	418.29	4.83	-42.10
CC(C)(C)CC1=NC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020229037	1	55	-1.0	-46.94	418.33	4.83	-42.11
CC(C)(C)OC(=O)NC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020229038	0	49	-1.0	-51.19	396.28	3.70	-47.49
CC(C)(C)OC(=O)NC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020229038	1	49	-1.0	-51.19	396.34	3.72	-47.47
CC(C)(C)OC(=O)NC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020229039	0	49	-1.0	-42.52	397.65	3.77	-38.75
CC(C)(C)OC(=O)NC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020229039	1	49	-1.0	-42.51	397.72	3.77	-38.74
CC(C)(C)C1=NC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2O1	REAL300020229040	0	49	-1.0	-56.88	408.30	4.41	-52.47
CC(C)(C)C1=NC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2O1	REAL300020229040	1	49	-1.0	-56.94	408.24	4.38	-52.56
CC(C)(C)C1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020229041	0	49	-1.0	-50.96	389.30	3.91	-47.05
CC(C)(C)C1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020229041	1	49	-1.0	-50.98	389.24	3.89	-47.09
CC(C)(C)C1=NC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020229042	0	46	-1.0	-61.13	374.28	2.95	-58.18
CC(C)(C)C1=NC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020229042	1	46	-1.0	-61.15	374.22	2.93	-58.22
CSCC[C@H](NC(=O)NC1=CC=C2OC(C(C)(C)C)=NC2=C1)C1=NN=N[N-]1	REAL300020229043	0	49	-1.0	-58.29	417.81	2.92	-55.37
CSCC[C@H](NC(=O)NC1=CC=C2OC(C(C)(C)C)=NC2=C1)C1=N[N-]N=N1	REAL300020229043	1	49	-1.0	-58.30	417.75	2.90	-55.40
CC(C)(C)C1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020229044	0	46	-1.0	-51.96	375.40	3.03	-48.93
CC(C)(C)C1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020229044	1	46	-1.0	-51.96	375.32	3.02	-48.94
CC(C)(C)C1=NC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020229045	0	52	-1.0	-46.29	401.98	4.03	-42.26
CC(C)(C)C1=NC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020229045	1	52	-1.0	-46.26	401.94	4.01	-42.25
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229046	0	43	-1.0	-69.51	372.55	1.58	-67.93
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229046	1	43	-1.0	-69.52	372.49	1.56	-67.96
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229047	0	43	-1.0	-55.04	352.24	1.09	-53.95
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229047	1	43	-1.0	-55.11	352.30	1.10	-54.01
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229048	0	40	-1.0	-65.74	336.63	0.10	-65.64
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229048	1	40	-1.0	-65.76	336.69	0.11	-65.65
CSCC[C@H](NC(=O)NC1=CC(C2=NN=CO2)=CC=C1C)C1=N[N-]N=N1	REAL300020229049	0	43	-1.0	-62.67	380.72	0.10	-62.57
CSCC[C@H](NC(=O)NC1=CC(C2=NN=CO2)=CC=C1C)C1=NN=N[N-]1	REAL300020229049	1	43	-1.0	-62.66	380.77	0.11	-62.55
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229050	0	40	-1.0	-56.04	338.55	0.20	-55.84
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229050	1	40	-1.0	-56.08	338.63	0.21	-55.87
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229051	0	46	-1.0	-49.36	367.07	1.19	-48.17
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229051	1	46	-1.0	-49.36	367.12	1.21	-48.15
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229052	0	46	-1.0	-52.71	376.97	1.29	-51.42
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229052	1	46	-1.0	-52.69	377.03	1.30	-51.39
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229053	0	43	-1.0	-66.76	363.86	0.46	-66.30
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229053	1	43	-1.0	-66.73	363.91	0.47	-66.26
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020229054	0	46	-1.0	-56.68	407.40	0.42	-56.26
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020229054	1	46	-1.0	-56.66	407.45	0.43	-56.23
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229055	0	43	-1.0	-52.47	364.26	0.46	-52.01
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229055	1	43	-1.0	-52.46	364.34	0.48	-51.98
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229056	0	49	-1.0	-50.90	385.85	2.17	-48.73
CNS(=O)(=O)C1=CC=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229056	1	49	-1.0	-50.85	385.90	2.18	-48.67
CCN1C=NN=C1C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229057	0	47	-1.0	-50.17	394.48	8.36	-41.81
CCN1C=NN=C1C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229057	1	47	-1.0	-50.13	394.43	8.34	-41.79
CCN1C=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229058	0	47	-1.0	-54.17	376.58	7.86	-46.31
CCN1C=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229058	1	47	-1.0	-54.16	376.64	7.87	-46.29
CCN1C=NN=C1C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229059	0	44	-1.0	-60.74	361.91	6.94	-53.80
CCN1C=NN=C1C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229059	1	44	-1.0	-60.77	361.97	6.97	-53.80
CCN1C=NN=C1C1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020229060	0	47	-1.0	-54.03	405.45	6.92	-47.11
CCN1C=NN=C1C1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020229060	1	47	-1.0	-54.02	405.51	6.93	-47.09
CCN1C=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229061	0	44	-1.0	-51.81	363.28	6.99	-44.82
CCN1C=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229061	1	44	-1.0	-51.82	363.36	7.01	-44.81
CCN1C=NN=C1C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229062	0	50	-1.0	-55.11	383.35	8.92	-46.19
CCN1C=NN=C1C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229062	1	50	-1.0	-55.10	383.41	8.93	-46.17
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020229063	0	49	-1.0	-50.94	396.41	2.61	-48.33
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020229063	1	49	-1.0	-50.92	396.47	2.63	-48.29
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020229064	0	46	-1.0	-54.76	380.90	1.80	-52.96
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020229064	1	46	-1.0	-54.78	380.96	1.81	-52.97
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020229065	0	46	-1.0	-50.84	383.55	1.80	-49.04
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020229065	1	46	-1.0	-50.84	383.62	1.81	-49.03
NS(=O)(=O)C1=CC(F)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020229066	0	40	-1.0	-48.12	363.89	-0.25	-48.37
NS(=O)(=O)C1=CC(F)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020229066	1	40	-1.0	-48.10	363.95	-0.22	-48.32
NS(=O)(=O)C1=CC(F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229067	0	40	-1.0	-49.21	344.82	-0.72	-49.93
NS(=O)(=O)C1=CC(F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229067	1	40	-1.0	-49.25	344.88	-0.70	-49.95
NS(=O)(=O)C1=CC(F)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229068	0	37	-1.0	-60.68	328.92	-1.59	-62.27
NS(=O)(=O)C1=CC(F)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229068	1	37	-1.0	-60.67	328.98	-1.56	-62.23
CSCC[C@H](NC(=O)NC1=CC(F)=CC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020229069	0	40	-1.0	-52.51	372.66	-1.62	-54.13
CSCC[C@H](NC(=O)NC1=CC(F)=CC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020229069	1	40	-1.0	-52.56	372.71	-1.60	-54.16
NS(=O)(=O)C1=CC(F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229070	0	37	-1.0	-50.14	330.53	-1.53	-51.67
NS(=O)(=O)C1=CC(F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229070	1	37	-1.0	-50.12	330.60	-1.53	-51.65
NS(=O)(=O)C1=CC(F)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229071	0	43	-1.0	-46.25	357.06	-0.55	-46.80
NS(=O)(=O)C1=CC(F)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229071	1	43	-1.0	-46.25	357.11	-0.53	-46.78
CC(=O)NC1=C(C)C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020229072	0	48	-1.0	-46.70	391.71	5.49	-41.21
CC(=O)NC1=C(C)C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020229072	1	48	-1.0	-46.71	391.65	5.46	-41.25
CC(=O)NC1=C(C)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020229073	0	48	-1.0	-48.88	370.33	4.87	-44.01
CC(=O)NC1=C(C)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020229073	1	48	-1.0	-48.89	370.39	4.89	-44.00
CC(=O)NC1=C(C)C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020229074	0	45	-1.0	-57.24	357.18	4.05	-53.19
CC(=O)NC1=C(C)C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020229074	1	45	-1.0	-57.22	357.24	4.06	-53.16
CSCC[C@H](NC(=O)NC1=CC=C(C)C(NC(C)=O)=C1C)C1=N[N-]N=N1	REAL300020229075	0	48	-1.0	-53.01	400.71	4.00	-49.01
CSCC[C@H](NC(=O)NC1=CC=C(C)C(NC(C)=O)=C1C)C1=NN=N[N-]1	REAL300020229075	1	48	-1.0	-53.04	400.77	4.01	-49.03
CC(=O)NC1=C(C)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020229076	0	45	-1.0	-48.18	358.24	4.12	-44.06
CC(=O)NC1=C(C)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020229076	1	45	-1.0	-48.23	358.31	4.12	-44.11
CC(=O)NC1=C(C)C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020229077	0	51	-1.0	-47.18	382.01	5.22	-41.96
CC(=O)NC1=C(C)C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020229077	1	51	-1.0	-47.21	382.05	5.24	-41.97
CS(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020229078	0	40	-1.0	-65.88	355.37	3.39	-62.49
CS(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020229078	1	40	-1.0	-65.90	355.31	3.36	-62.54
CS(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229079	0	40	-1.0	-53.38	335.16	2.92	-50.46
CS(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229079	1	40	-1.0	-53.35	335.21	2.94	-50.41
CS(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229080	0	37	-1.0	-62.40	321.01	1.96	-60.44
CS(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229080	1	37	-1.0	-62.36	321.07	1.97	-60.39
CSCC[C@H](NC(=O)NC1=CC=CC(S(C)=O)=C1)C1=N[N-]N=N1	REAL300020229081	0	40	-1.0	-48.16	364.48	1.92	-46.24
CSCC[C@H](NC(=O)NC1=CC=CC(S(C)=O)=C1)C1=NN=N[N-]1	REAL300020229081	1	40	-1.0	-48.21	364.54	1.93	-46.28
CS(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229082	0	37	-1.0	-54.02	322.34	2.01	-52.01
CS(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229082	1	37	-1.0	-54.01	322.42	2.02	-51.99
CS(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229083	0	43	-1.0	-58.59	344.36	3.77	-54.82
CS(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229083	1	43	-1.0	-58.60	344.42	3.78	-54.82
CC(C)(C)OC(=O)NCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229084	0	52	-1.0	-54.80	416.71	3.82	-50.98
CC(C)(C)OC(=O)NCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229084	1	52	-1.0	-54.84	416.77	3.84	-51.00
CC(C)(C)OC(=O)NCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229085	0	52	-1.0	-45.89	417.75	3.89	-42.00
CC(C)(C)OC(=O)NCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229085	1	52	-1.0	-45.92	417.83	3.91	-42.01
CC(C)(C)NS(=O)(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229086	0	49	-1.0	-58.71	387.01	1.99	-56.72
CC(C)(C)NS(=O)(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229086	1	49	-1.0	-58.69	387.07	2.01	-56.68
CC(C)(C)NS(=O)(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229087	0	49	-1.0	-46.11	388.20	2.05	-44.06
CC(C)(C)NS(=O)(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229087	1	49	-1.0	-46.12	388.27	2.06	-44.06
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1S(N)(=O)=O	REAL300020229088	0	46	-1.0	-48.16	367.58	0.76	-47.40
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1S(N)(=O)=O	REAL300020229088	1	46	-1.0	-48.15	367.63	0.78	-47.37
CCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1S(N)(=O)=O	REAL300020229089	0	43	-1.0	-62.18	354.26	-0.30	-62.48
CCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1S(N)(=O)=O	REAL300020229089	1	43	-1.0	-62.17	354.32	-0.29	-62.46
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1S(N)(=O)=O	REAL300020229090	0	46	-1.0	-54.82	397.36	-0.28	-55.10
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1S(N)(=O)=O	REAL300020229090	1	46	-1.0	-54.89	397.41	-0.27	-55.16
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(N)(=O)=O	REAL300020229091	0	43	-1.0	-54.20	355.32	0.02	-54.18
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(N)(=O)=O	REAL300020229091	1	43	-1.0	-54.21	355.40	0.03	-54.18
CCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1S(N)(=O)=O	REAL300020229092	0	49	-1.0	-46.14	383.56	0.74	-45.40
CCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1S(N)(=O)=O	REAL300020229092	1	49	-1.0	-49.48	383.60	0.75	-48.73
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=NNC=C21	REAL300020229093	0	41	-1.0	-47.66	349.81	4.19	-43.47
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=NNC=C21	REAL300020229093	1	41	-1.0	-47.64	349.75	4.16	-43.48
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=NNC=C21	REAL300020229094	0	41	-1.0	-49.31	330.18	3.63	-45.68
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=NNC=C21	REAL300020229094	1	41	-1.0	-49.31	330.23	3.65	-45.66
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=NNC=C21	REAL300020229095	0	38	-1.0	-61.61	315.79	2.72	-58.89
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=NNC=C21	REAL300020229095	1	38	-1.0	-61.61	315.85	2.75	-58.86
CSCC[C@H](NC(=O)NC1=CC=C(C)C2=CNN=C21)C1=N[N-]N=N1	REAL300020229096	0	41	-1.0	-54.33	359.33	2.69	-51.64
CSCC[C@H](NC(=O)NC1=CC=C(C)C2=CNN=C21)C1=NN=N[N-]1	REAL300020229096	1	41	-1.0	-54.32	359.39	2.71	-51.61
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NNC=C21	REAL300020229097	0	38	-1.0	-49.87	317.16	2.78	-47.09
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NNC=C21	REAL300020229097	1	38	-1.0	-49.87	317.23	2.79	-47.08
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=NNC=C21	REAL300020229098	0	44	-1.0	-52.99	345.58	3.84	-49.15
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=NNC=C21	REAL300020229098	1	44	-1.0	-53.01	345.63	3.83	-49.18
CC(C)S(=O)(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229099	0	47	-1.0	-50.37	376.21	3.82	-46.55
CC(C)S(=O)(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229099	1	47	-1.0	-50.38	376.27	3.83	-46.55
CC(C)S(=O)(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229100	0	44	-1.0	-50.27	362.87	3.17	-47.10
CC(C)S(=O)(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229100	1	44	-1.0	-50.27	362.93	3.17	-47.10
CSCC[C@H](NC(=O)NC1=CC=CC=C1S(=O)(=O)C(C)C)C1=N[N-]N=N1	REAL300020229101	0	47	-1.0	-49.62	405.03	3.02	-46.60
CSCC[C@H](NC(=O)NC1=CC=CC=C1S(=O)(=O)C(C)C)C1=NN=N[N-]1	REAL300020229101	1	47	-1.0	-49.64	405.08	3.04	-46.60
CC(C)S(=O)(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229102	0	44	-1.0	-44.34	363.87	3.12	-41.22
CC(C)S(=O)(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229102	1	44	-1.0	-44.36	363.95	3.14	-41.22
CC(C)S(=O)(=O)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229103	0	50	-1.0	-47.94	386.28	4.96	-42.98
CC(C)S(=O)(=O)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229103	1	50	-1.0	-47.94	386.33	4.97	-42.97
O=C(NC1=CC=C2C(=O)N(CC3CC3)C(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229104	0	49	-1.0	-44.93	403.19	6.14	-38.79
O=C(NC1=CC=C2C(=O)N(CC3CC3)C(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229104	1	49	-1.0	-44.97	403.24	6.16	-38.81
O=C(NC1=CC=C2C(=O)N(CC3CC3)C(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229105	0	46	-1.0	-51.61	388.09	5.18	-46.43
O=C(NC1=CC=C2C(=O)N(CC3CC3)C(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229105	1	46	-1.0	-51.60	388.15	5.20	-46.40
O=C(NC1=CC=C2C(=O)N(CC3CC3)C(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229106	0	46	-1.0	-44.05	389.45	5.25	-38.80
O=C(NC1=CC=C2C(=O)N(CC3CC3)C(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229106	1	46	-1.0	-43.99	389.53	5.25	-38.74
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C=C1N1C=CC=C1	REAL300020229107	0	43	-1.0	-40.89	382.48	8.68	-32.21
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C=C1N1C=CC=C1	REAL300020229107	1	43	-1.0	-40.89	382.42	8.65	-32.24
O=C(NC1=CC=C(Cl)C=C1N1C=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229108	0	43	-1.0	-39.79	361.46	8.10	-31.69
O=C(NC1=CC=C(Cl)C=C1N1C=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229108	1	43	-1.0	-39.80	361.52	8.11	-31.69
O=C(NC1=CC=C(Cl)C=C1N1C=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229109	0	40	-1.0	-48.48	347.01	7.18	-41.30
O=C(NC1=CC=C(Cl)C=C1N1C=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229109	1	40	-1.0	-48.48	347.07	7.20	-41.28
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1N1C=CC=C1)C1=N[N-]N=N1	REAL300020229110	0	43	-1.0	-42.72	390.56	7.13	-35.59
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1N1C=CC=C1)C1=NN=N[N-]1	REAL300020229110	1	43	-1.0	-42.71	390.61	7.14	-35.57
O=C(NC1=CC=C(Cl)C=C1N1C=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229111	0	40	-1.0	-39.53	348.37	7.23	-32.30
O=C(NC1=CC=C(Cl)C=C1N1C=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229111	1	40	-1.0	-39.58	348.44	7.25	-32.33
O=C(NC1=CC=C(Cl)C=C1N1C=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229112	0	46	-1.0	-45.62	370.82	9.09	-36.53
O=C(NC1=CC=C(Cl)C=C1N1C=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229112	1	46	-1.0	-45.59	370.87	9.10	-36.49
NS(=O)(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020229113	0	40	-1.0	-57.71	357.33	-0.25	-57.96
NS(=O)(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020229113	1	40	-1.0	-57.64	357.27	-0.27	-57.91
NS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229114	0	40	-1.0	-48.95	338.34	-0.75	-49.70
NS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229114	1	40	-1.0	-48.95	338.40	-0.73	-49.68
NS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229115	0	37	-1.0	-58.52	323.03	-1.68	-60.20
NS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229115	1	37	-1.0	-58.56	323.09	-1.67	-60.23
CSCC[C@H](NC(=O)NC1=CC=CC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020229116	0	40	-1.0	-60.24	366.45	-1.72	-61.96
CSCC[C@H](NC(=O)NC1=CC=CC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020229116	1	40	-1.0	-60.21	366.51	-1.70	-61.91
NS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229117	0	37	-1.0	-49.21	324.08	-1.61	-50.82
NS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229117	1	37	-1.0	-49.23	324.16	-1.59	-50.82
NS(=O)(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229118	0	43	-1.0	-54.59	346.33	0.13	-54.46
NS(=O)(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229118	1	43	-1.0	-54.63	346.38	0.15	-54.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C(F)(F)F)C=C1Cl	REAL300020229119	0	38	-1.0	-38.30	355.45	6.38	-31.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C(F)(F)F)C=C1Cl	REAL300020229119	1	38	-1.0	-38.29	355.50	6.41	-31.88
O=C(NC1=CC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229120	0	38	-1.0	-39.95	336.26	5.93	-34.02
O=C(NC1=CC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229120	1	38	-1.0	-39.93	336.32	5.94	-33.99
O=C(NC1=CC=C(C(F)(F)F)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020229121	0	35	-1.0	-47.58	322.18	5.01	-42.57
O=C(NC1=CC=C(C(F)(F)F)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020229121	1	35	-1.0	-47.62	322.24	5.03	-42.59
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL300020229122	0	38	-1.0	-41.97	365.72	4.99	-36.98
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL300020229122	1	38	-1.0	-41.99	365.77	5.00	-36.99
O=C(NC1=CC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020229123	0	35	-1.0	-39.49	323.53	5.06	-34.43
O=C(NC1=CC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020229123	1	35	-1.0	-39.51	323.60	5.08	-34.43
O=C(NC1=CC=C(C(F)(F)F)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020229124	0	41	-1.0	-44.41	345.09	6.90	-37.51
O=C(NC1=CC=C(C(F)(F)F)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020229124	1	41	-1.0	-44.41	345.15	6.91	-37.50
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229125	0	57	0.0	-65.67	426.86	7.31	-58.36
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229125	1	57	0.0	-65.72	426.92	7.33	-58.39
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229126	0	54	0.0	-77.02	411.88	6.43	-70.59
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229126	1	54	0.0	-77.05	411.93	6.45	-70.60
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229127	0	54	0.0	-65.75	409.08	6.17	-59.58
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229127	1	54	0.0	-65.74	409.16	6.17	-59.57
O=C(NC1=CC=CC(C#CC2=CC=CC=N2)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229128	0	46	-1.0	-69.65	407.33	8.06	-61.59
O=C(NC1=CC=CC(C#CC2=CC=CC=N2)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229128	1	46	-1.0	-69.60	407.38	8.08	-61.52
O=C(NC1=CC=CC(C#CC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229129	0	46	-1.0	-47.69	386.93	7.67	-40.02
O=C(NC1=CC=CC(C#CC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229129	1	46	-1.0	-47.70	386.98	7.68	-40.02
O=C(NC1=CC=CC(C#CC2=CC=CC=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229130	0	43	-1.0	-65.39	372.57	6.72	-58.67
O=C(NC1=CC=CC(C#CC2=CC=CC=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229130	1	43	-1.0	-65.39	372.63	6.74	-58.65
CSCC[C@H](NC(=O)NC1=CC=CC(C#CC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL300020229131	0	46	-1.0	-57.97	416.37	6.64	-51.33
CSCC[C@H](NC(=O)NC1=CC=CC(C#CC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL300020229131	1	46	-1.0	-58.01	416.43	6.66	-51.35
O=C(NC1=CC=CC(C#CC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229132	0	43	-1.0	-55.73	374.21	6.75	-48.98
O=C(NC1=CC=CC(C#CC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229132	1	43	-1.0	-55.73	374.28	6.75	-48.98
O=C(NC1=CC=CC(C#CC2=CC=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229133	0	49	-1.0	-47.22	402.56	7.80	-39.42
O=C(NC1=CC=CC(C#CC2=CC=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229133	1	49	-1.0	-46.96	402.62	7.83	-39.13
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229134	0	51	-1.0	-47.62	410.01	5.74	-41.88
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229134	1	51	-1.0	-47.61	409.95	5.71	-41.90
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229135	0	51	-1.0	-46.93	390.96	5.20	-41.73
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229135	1	51	-1.0	-46.94	391.02	5.22	-41.72
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229136	0	48	-1.0	-57.94	374.72	4.24	-53.70
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229136	1	48	-1.0	-57.91	374.77	4.27	-53.64
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(=O)NC(C)(C)C)C1=N[N-]N=N1	REAL300020229137	0	51	-1.0	-51.51	419.60	4.22	-47.29
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(=O)NC(C)(C)C)C1=NN=N[N-]1	REAL300020229137	1	51	-1.0	-51.47	419.66	4.23	-47.24
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229138	0	48	-1.0	-47.20	377.22	4.36	-42.84
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229138	1	48	-1.0	-47.22	377.30	4.37	-42.85
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229139	0	54	-1.0	-53.75	398.63	6.14	-47.61
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229139	1	54	-1.0	-53.76	398.69	6.14	-47.62
O=C(NC1=CC=C(C2=NNC=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229140	0	42	-1.0	-45.59	362.03	4.82	-40.77
O=C(NC1=CC=C(C2=NNC=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229140	1	42	-1.0	-45.55	361.97	4.80	-40.75
O=C(NC1=CC=C(C2=NNC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229141	0	42	-1.0	-49.42	343.08	4.32	-45.10
O=C(NC1=CC=C(C2=NNC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229141	1	42	-1.0	-49.41	343.13	4.33	-45.08
O=C(NC1=CC=C(C2=NNC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229142	0	39	-1.0	-56.27	327.68	3.37	-52.90
O=C(NC1=CC=C(C2=NNC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229142	1	39	-1.0	-56.27	327.74	3.39	-52.88
CSCC[C@H](NC(=O)NC1=CC=C(C2=NNC=C2)C=C1)C1=N[N-]N=N1	REAL300020229143	0	42	-1.0	-50.87	371.12	3.36	-47.51
CSCC[C@H](NC(=O)NC1=CC=C(C2=NNC=C2)C=C1)C1=NN=N[N-]1	REAL300020229143	1	42	-1.0	-50.87	371.18	3.38	-47.49
O=C(NC1=CC=C(C2=NNC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229144	0	39	-1.0	-47.20	328.97	3.45	-43.75
O=C(NC1=CC=C(C2=NNC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229144	1	39	-1.0	-47.22	329.04	3.46	-43.76
O=C(NC1=CC=C(C2=NNC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229145	0	45	-1.0	-52.85	348.47	5.28	-47.57
O=C(NC1=CC=C(C2=NNC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229145	1	45	-1.0	-52.81	348.51	5.29	-47.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Br)=CC=C1F	REAL300020229146	0	35	-1.0	-40.85	329.54	5.50	-35.35
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Br)=CC=C1F	REAL300020229146	1	35	-1.0	-40.81	329.60	5.52	-35.29
O=C(NC1=CC(Br)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229147	0	35	-1.0	-42.16	311.42	5.01	-37.15
O=C(NC1=CC(Br)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229147	1	35	-1.0	-42.18	311.48	5.02	-37.16
O=C(NC1=CC(Br)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020229148	0	32	-1.0	-50.87	294.91	4.10	-46.77
O=C(NC1=CC(Br)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020229148	1	32	-1.0	-50.83	294.97	4.13	-46.70
CSCC[C@H](NC(=O)NC1=CC(Br)=CC=C1F)C1=N[N-]N=N1	REAL300020229149	0	35	-1.0	-45.54	338.41	4.06	-41.48
CSCC[C@H](NC(=O)NC1=CC(Br)=CC=C1F)C1=NN=N[N-]1	REAL300020229149	1	35	-1.0	-45.50	338.46	4.08	-41.42
O=C(NC1=CC(Br)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020229150	0	32	-1.0	-42.07	297.06	4.15	-37.92
O=C(NC1=CC(Br)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020229150	1	32	-1.0	-42.04	297.13	4.17	-37.87
O=C(NC1=CC(Br)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020229151	0	38	-1.0	-46.79	318.89	5.90	-40.89
O=C(NC1=CC(Br)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020229151	1	38	-1.0	-46.79	318.95	5.90	-40.89
COC1=CC=CC=C1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229152	0	49	-1.0	-45.87	392.38	7.33	-38.54
COC1=CC=CC=C1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229152	1	49	-1.0	-45.85	392.44	7.35	-38.50
COC1=CC=CC=C1C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229153	0	46	-1.0	-58.15	377.02	6.42	-51.73
COC1=CC=CC=C1C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229153	1	46	-1.0	-58.13	377.08	6.43	-51.70
COC1=CC=CC=C1C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020229154	0	49	-1.0	-50.26	420.47	6.39	-43.87
COC1=CC=CC=C1C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020229154	1	49	-1.0	-50.28	420.53	6.40	-43.88
COC1=CC=CC=C1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229155	0	46	-1.0	-45.40	378.04	6.50	-38.90
COC1=CC=CC=C1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229155	1	46	-1.0	-45.44	378.12	6.52	-38.92
COC1=CC=CC=C1C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229156	0	52	-1.0	-46.47	404.67	7.53	-38.94
COC1=CC=CC=C1C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229156	1	52	-1.0	-45.79	404.81	7.53	-38.26
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1NS(C)(=O)=O	REAL300020229157	0	46	-1.0	-48.52	374.76	1.73	-46.79
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1NS(C)(=O)=O	REAL300020229157	1	46	-1.0	-48.53	374.81	1.74	-46.79
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1NS(C)(=O)=O	REAL300020229158	0	43	-1.0	-57.61	360.31	0.87	-56.74
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1NS(C)(=O)=O	REAL300020229158	1	43	-1.0	-57.62	360.37	0.89	-56.73
CSCC[C@H](NC(=O)NC1=CC=C(C)C(NS(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020229159	0	46	-1.0	-51.55	403.07	0.85	-50.70
CSCC[C@H](NC(=O)NC1=CC=C(C)C(NS(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020229159	1	46	-1.0	-51.57	403.12	0.86	-50.71
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1NS(C)(=O)=O	REAL300020229160	0	43	-1.0	-47.89	361.67	0.93	-46.96
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1NS(C)(=O)=O	REAL300020229160	1	43	-1.0	-47.95	361.75	0.93	-47.02
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1NS(C)(=O)=O	REAL300020229161	0	49	-1.0	-46.90	389.41	1.95	-44.95
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1NS(C)(=O)=O	REAL300020229161	1	49	-1.0	-46.87	389.46	1.97	-44.90
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229162	0	44	-1.0	-46.87	381.39	5.62	-41.25
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229162	1	44	-1.0	-46.89	381.33	5.60	-41.29
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229163	0	44	-1.0	-49.02	362.21	5.13	-43.89
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229163	1	44	-1.0	-48.97	362.15	5.11	-43.86
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229164	0	41	-1.0	-57.06	346.70	4.22	-52.84
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229164	1	41	-1.0	-57.05	346.76	4.24	-52.81
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL300020229165	0	44	-1.0	-51.49	390.32	4.18	-47.31
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL300020229165	1	44	-1.0	-51.50	390.38	4.20	-47.30
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229166	0	41	-1.0	-47.81	348.25	4.28	-43.53
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229166	1	41	-1.0	-47.76	348.17	4.27	-43.49
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229167	0	47	-1.0	-52.13	370.16	6.03	-46.10
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229167	1	47	-1.0	-52.09	370.13	6.02	-46.07
CSCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020229168	0	42	-1.0	-53.41	369.29	6.68	-46.73
CSCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020229168	1	42	-1.0	-53.42	369.23	6.66	-46.76
CSCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229169	0	42	-1.0	-46.58	350.32	6.17	-40.41
CSCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229169	1	42	-1.0	-46.57	350.38	6.19	-40.38
CSCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229170	0	39	-1.0	-52.77	334.93	5.25	-47.52
CSCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229170	1	39	-1.0	-52.78	334.99	5.27	-47.51
CSCC[C@H](NC(=O)NC1=CC=CC(CSC)=C1)C1=N[N-]N=N1	REAL300020229171	0	42	-1.0	-46.29	378.16	5.25	-41.04
CSCC[C@H](NC(=O)NC1=CC=CC(CSC)=C1)C1=NN=N[N-]1	REAL300020229171	1	42	-1.0	-46.31	378.21	5.27	-41.04
CSCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229172	0	39	-1.0	-43.82	335.97	5.33	-38.49
CSCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229172	1	39	-1.0	-43.86	336.05	5.34	-38.52
CSCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229173	0	45	-1.0	-48.56	358.28	7.06	-41.50
CSCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229173	1	45	-1.0	-48.55	358.34	7.08	-41.47
CC1=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2N1	REAL300020229174	0	42	-1.0	-46.40	356.23	5.44	-40.96
CC1=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2N1	REAL300020229174	1	42	-1.0	-46.37	356.17	5.42	-40.95
CC1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2N1	REAL300020229175	0	42	-1.0	-45.81	337.57	4.87	-40.94
CC1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2N1	REAL300020229175	1	42	-1.0	-45.83	337.63	4.89	-40.94
CC1=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2N1	REAL300020229176	0	39	-1.0	-62.97	321.88	4.00	-58.97
CC1=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2N1	REAL300020229176	1	39	-1.0	-63.00	321.94	4.02	-58.98
CSCC[C@H](NC(=O)NC1=CC=C2NC(C)=CC2=C1)C1=N[N-]N=N1	REAL300020229177	0	42	-1.0	-48.91	365.69	3.94	-44.97
CSCC[C@H](NC(=O)NC1=CC=C2NC(C)=CC2=C1)C1=NN=N[N-]1	REAL300020229177	1	42	-1.0	-48.92	365.75	3.95	-44.97
CC1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020229178	0	39	-1.0	-49.12	323.29	4.06	-45.06
CC1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020229178	1	39	-1.0	-49.12	323.37	4.07	-45.05
CC1=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1	REAL300020229179	0	45	-1.0	-46.11	349.87	5.04	-41.07
CC1=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1	REAL300020229179	1	45	-1.0	-46.16	349.91	5.06	-41.10
CCCN1C=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020229180	0	48	-1.0	-46.90	400.13	8.27	-38.63
CCCN1C=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020229180	1	48	-1.0	-46.93	400.07	8.24	-38.69
CCCN1C=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020229181	0	48	-1.0	-46.25	381.47	7.68	-38.57
CCCN1C=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020229181	1	48	-1.0	-46.26	381.52	7.70	-38.56
CCCN1C=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020229182	0	45	-1.0	-59.55	366.07	6.78	-52.77
CCCN1C=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020229182	1	45	-1.0	-59.58	366.12	6.79	-52.79
CCCN1C=CC2=CC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C21	REAL300020229183	0	48	-1.0	-49.63	409.59	6.75	-42.88
CCCN1C=CC2=CC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C21	REAL300020229183	1	48	-1.0	-49.64	409.65	6.76	-42.88
CCCN1C=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020229184	0	45	-1.0	-49.39	367.43	6.85	-42.54
CCCN1C=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020229184	1	45	-1.0	-49.40	367.51	6.85	-42.55
CCCN1C=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020229185	0	51	-1.0	-47.12	393.77	7.85	-39.27
CCCN1C=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020229185	1	51	-1.0	-47.12	393.81	7.87	-39.25
CCOC(=O)CN1C=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020229186	0	51	-1.0	-51.65	416.25	8.11	-43.54
CCOC(=O)CN1C=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020229186	1	51	-1.0	-51.63	416.31	8.12	-43.51
CCOC(=O)CN1C=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020229187	0	48	-1.0	-66.64	400.85	7.20	-59.44
CCOC(=O)CN1C=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020229187	1	48	-1.0	-66.67	400.91	7.22	-59.45
CCOC(=O)CN1C=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020229188	0	48	-1.0	-51.27	402.22	7.26	-44.01
CCOC(=O)CN1C=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020229188	1	48	-1.0	-51.29	402.29	7.26	-44.03
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC(F)F)=C1	REAL300020229189	0	45	-1.0	-46.43	376.30	4.65	-41.78
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC(F)F)=C1	REAL300020229189	1	45	-1.0	-46.43	376.36	4.67	-41.76
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OC(F)F)=C1	REAL300020229190	0	42	-1.0	-53.80	360.88	3.72	-50.08
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OC(F)F)=C1	REAL300020229190	1	42	-1.0	-53.82	360.94	3.75	-50.07
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC(F)F)=C1	REAL300020229191	0	42	-1.0	-45.59	362.27	3.78	-41.81
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC(F)F)=C1	REAL300020229191	1	42	-1.0	-45.63	362.34	3.79	-41.84
CC(C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)N1CCOCC1	REAL300020229192	0	54	-1.0	-44.10	409.54	4.30	-39.80
CC(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)N1CCOCC1	REAL300020229192	1	54	-1.0	-44.14	409.60	4.32	-39.82
CC(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)[NH+]1CCOCC1	REAL300020229192	1	55	0.0	-67.93	410.52	6.28	-61.65
CC(C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)N1CCOCC1	REAL300020229193	0	51	-1.0	-53.99	393.99	3.30	-50.69
CC(C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)N1CCOCC1	REAL300020229193	1	51	-1.0	-54.01	394.05	3.32	-50.69
CC(C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)[NH+]1CCOCC1	REAL300020229193	1	52	0.0	-75.94	394.68	5.40	-70.54
CC(C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)N1CCOCC1	REAL300020229194	0	51	-1.0	-43.97	388.51	3.36	-40.61
CC(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)N1CCOCC1	REAL300020229194	1	51	-1.0	-43.92	388.58	3.36	-40.56
CC(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)[NH+]1CCOCC1	REAL300020229194	1	52	0.0	-68.05	396.44	5.43	-62.62
CC(C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)N1CCOCC1	REAL300020229195	0	57	-1.0	-51.18	417.99	5.29	-45.89
CC(C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)N1CCOCC1	REAL300020229195	1	57	-1.0	-51.20	417.73	5.34	-45.86
CC(C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)[NH+]1CCOCC1	REAL300020229195	1	58	0.0	-53.39	422.83	6.46	-46.93
CNC(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229196	0	46	-1.0	-55.71	393.13	3.61	-52.10
CNC(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229196	1	46	-1.0	-55.71	393.19	3.63	-52.08
CNC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229197	0	46	-1.0	-50.56	372.63	3.15	-47.41
CNC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229197	1	46	-1.0	-50.57	372.69	3.16	-47.41
CNC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229198	0	43	-1.0	-68.18	358.50	2.23	-65.95
CNC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229198	1	43	-1.0	-68.16	358.56	2.25	-65.91
CNC(=O)COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020229199	0	46	-1.0	-61.00	402.32	2.17	-58.83
CNC(=O)COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020229199	1	46	-1.0	-60.99	402.37	2.18	-58.81
CNC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229200	0	43	-1.0	-50.60	360.21	2.26	-48.34
CNC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229200	1	43	-1.0	-50.61	360.28	2.27	-48.34
CNC(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229201	0	49	-1.0	-55.20	382.08	4.03	-51.17
CNC(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229201	1	49	-1.0	-55.19	382.13	4.04	-51.15
CC(C)(C)OC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229202	0	52	-1.0	-45.31	406.70	4.58	-40.73
CC(C)(C)OC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229202	1	52	-1.0	-45.36	406.76	4.60	-40.76
CC(C)(C)OC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229203	0	49	-1.0	-63.92	390.33	3.63	-60.29
CC(C)(C)OC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229203	1	49	-1.0	-63.91	390.39	3.64	-60.27
CC(C)(C)OC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229204	0	49	-1.0	-50.85	392.04	3.67	-47.18
CC(C)(C)OC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229204	1	49	-1.0	-50.86	392.12	3.68	-47.18
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229205	0	41	-1.0	-49.94	357.53	5.49	-44.45
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229205	1	41	-1.0	-49.99	357.47	5.46	-44.53
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229206	0	41	-1.0	-44.34	338.61	4.96	-39.38
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229206	1	41	-1.0	-44.37	338.66	4.98	-39.39
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229207	0	38	-1.0	-58.15	323.14	4.05	-54.10
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229207	1	38	-1.0	-58.14	323.20	4.06	-54.08
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020229208	0	41	-1.0	-51.42	367.00	3.98	-47.44
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020229208	1	41	-1.0	-51.43	367.06	4.00	-47.43
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229209	0	38	-1.0	-44.79	324.83	4.08	-40.71
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229209	1	38	-1.0	-44.86	324.90	4.09	-40.77
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229210	0	44	-1.0	-49.21	346.76	5.86	-43.35
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229210	1	44	-1.0	-49.21	346.80	5.87	-43.34
COC1=CC(F)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020229211	0	43	-1.0	-51.32	366.49	4.09	-47.23
COC1=CC(F)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020229211	1	43	-1.0	-51.34	366.44	4.07	-47.27
COC1=CC(F)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020229212	0	43	-1.0	-43.43	348.87	3.61	-39.82
COC1=CC(F)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020229212	1	43	-1.0	-43.43	348.92	3.62	-39.81
COC1=CC(F)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC	REAL300020229213	0	40	-1.0	-52.06	332.32	2.70	-49.36
COC1=CC(F)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC	REAL300020229213	1	40	-1.0	-52.10	332.38	2.72	-49.38
COC1=CC(F)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020229214	0	43	-1.0	-45.67	375.84	2.66	-43.01
COC1=CC(F)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020229214	1	43	-1.0	-45.69	375.90	2.68	-43.01
COC1=CC(F)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020229215	0	40	-1.0	-42.88	333.68	2.76	-40.12
COC1=CC(F)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020229215	1	40	-1.0	-42.90	333.75	2.76	-40.14
COC1=CC(F)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020229216	0	46	-1.0	-43.74	362.46	3.78	-39.96
COC1=CC(F)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020229216	1	46	-1.0	-43.74	362.51	3.80	-39.94
O=C(NC1=CC=C(OCC(F)(F)C(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229217	0	41	-1.0	-54.55	361.93	2.45	-52.10
O=C(NC1=CC=C(OCC(F)(F)C(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229217	1	41	-1.0	-54.54	361.87	2.43	-52.11
O=C(NC1=CC=C(OCC(F)(F)C(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229218	0	41	-1.0	-43.95	364.53	2.41	-41.54
O=C(NC1=CC=C(OCC(F)(F)C(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229218	1	41	-1.0	-44.00	364.46	2.41	-41.59
CC1=CC=CC(COC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C(C)=C2)=C1	REAL300020229219	0	52	-1.0	-56.71	418.82	8.21	-48.50
CC1=CC=CC(COC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C(C)=C2)=C1	REAL300020229219	1	52	-1.0	-56.71	418.88	8.23	-48.48
CC1=CC=CC(COC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C(C)=C2)=C1	REAL300020229220	0	52	-1.0	-45.23	420.33	8.25	-36.98
CC1=CC=CC(COC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C(C)=C2)=C1	REAL300020229220	1	52	-1.0	-45.25	420.41	8.26	-36.99
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229221	0	42	-2.0	-94.04	374.08	5.42	-88.62
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229221	1	42	-2.0	-94.04	374.14	5.43	-88.61
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020229222	0	39	-2.0	-117.73	358.26	4.31	-113.42
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020229222	1	39	-2.0	-117.76	358.32	4.33	-113.43
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229223	0	39	-2.0	-96.00	359.00	4.36	-91.64
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229223	1	39	-2.0	-96.03	359.08	4.37	-91.66
COCC1=C2N=C([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=CC=C1	REAL300020229224	0	43	-2.0	-88.69	384.32	4.08	-84.61
COCC1=C2N=C([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=CC=C1	REAL300020229224	1	43	-2.0	-88.70	384.26	4.06	-84.64
COCC1=C2N=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=CC=C1	REAL300020229224	1	44	-1.0	-48.05	387.59	5.27	-42.78
COCC1=C2N=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=CC=C1	REAL300020229224	1	44	-1.0	-48.05	387.53	5.24	-42.81
COCC1=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=CC=C1	REAL300020229225	0	44	-1.0	-43.81	368.41	4.81	-39.00
COCC1=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=CC=C1	REAL300020229225	1	44	-1.0	-43.79	368.36	4.80	-38.99
COCC1=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=CC=C1	REAL300020229225	1	43	-2.0	-90.92	367.36	3.96	-86.96
COCC1=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=CC=C1	REAL300020229225	1	43	-2.0	-90.96	367.30	3.95	-87.01
COCC1=C2N=C(NC(=O)N3CCCC3C3=NN=N[N-]3)SC2=CC=C1	REAL300020229226	0	41	-1.0	-51.24	352.94	3.88	-47.36
COCC1=C2N=C(NC(=O)N3CCCC3C3=N[N-]N=N3)SC2=CC=C1	REAL300020229226	1	41	-1.0	-51.24	352.89	3.86	-47.38
COCC1=C2N=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)SC2=CC=C1	REAL300020229226	1	40	-2.0	-111.40	351.47	2.84	-108.56
COCC1=C2N=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)SC2=CC=C1	REAL300020229226	1	40	-2.0	-111.40	351.53	2.85	-108.55
COCC1=C2N=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)SC2=CC=C1	REAL300020229227	0	44	-1.0	-45.19	396.56	3.85	-41.34
COCC1=C2N=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)SC2=CC=C1	REAL300020229227	1	44	-1.0	-45.18	396.50	3.84	-41.34
COCC1=C2N=C([N-]C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)SC2=CC=C1	REAL300020229227	1	43	-2.0	-102.04	393.25	2.65	-99.39
COCC1=C2N=C([N-]C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)SC2=CC=C1	REAL300020229227	1	43	-2.0	-102.04	393.31	2.67	-99.37
COCC1=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=CC=C1	REAL300020229228	0	41	-1.0	-42.41	354.43	3.93	-38.48
COCC1=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=CC=C1	REAL300020229228	1	41	-1.0	-42.38	354.35	3.92	-38.46
COCC1=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=CC=C1	REAL300020229228	1	40	-2.0	-91.12	352.29	2.89	-88.23
COCC1=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=CC=C1	REAL300020229228	1	40	-2.0	-91.10	352.21	2.88	-88.22
COCC1=C2N=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=CC=C1	REAL300020229229	0	47	-1.0	-47.91	376.63	5.66	-42.25
COCC1=C2N=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=CC=C1	REAL300020229229	1	47	-1.0	-47.94	376.58	5.65	-42.29
COCC1=C2N=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=CC=C1	REAL300020229229	1	46	-2.0	-95.65	380.37	4.52	-91.13
COCC1=C2N=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=CC=C1	REAL300020229229	1	46	-2.0	-95.68	380.30	4.51	-91.17
N#CC1=CC=C(OC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C=C1	REAL300020229230	0	47	-1.0	-44.73	394.82	7.57	-37.16
N#CC1=CC=C(OC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C=C1	REAL300020229230	1	47	-1.0	-44.73	394.87	7.58	-37.15
N#CC1=CC=C(OC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=C1	REAL300020229231	0	44	-1.0	-57.86	377.87	6.63	-51.23
N#CC1=CC=C(OC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=C1	REAL300020229231	1	44	-1.0	-57.87	377.93	6.65	-51.22
N#CC1=CC=C(OC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020229232	0	44	-1.0	-48.60	379.47	6.68	-41.92
N#CC1=CC=C(OC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020229232	1	44	-1.0	-48.60	379.54	6.70	-41.90
O=C(NC1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229233	0	48	-1.0	-45.97	389.01	5.85	-40.12
O=C(NC1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229233	1	48	-1.0	-45.96	389.07	5.87	-40.09
O=C(NC1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229234	0	45	-1.0	-56.37	374.92	4.87	-51.50
O=C(NC1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229234	1	45	-1.0	-56.37	374.97	4.89	-51.48
CSCC[C@H](NC(=O)NC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=N[N-]N=N1	REAL300020229235	0	48	-1.0	-52.38	418.45	4.83	-47.55
CSCC[C@H](NC(=O)NC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=NN=N[N-]1	REAL300020229235	1	48	-1.0	-52.45	418.51	4.84	-47.61
O=C(NC1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229236	0	45	-1.0	-46.16	376.29	4.93	-41.23
O=C(NC1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229236	1	45	-1.0	-46.18	376.36	4.94	-41.24
O=C(NC1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229237	0	51	-1.0	-50.66	398.21	6.70	-43.96
O=C(NC1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229237	1	51	-1.0	-50.64	398.26	6.71	-43.93
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C(N)=O	REAL300020229238	0	42	-1.0	-44.29	353.68	2.25	-42.04
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C(N)=O	REAL300020229238	1	42	-1.0	-44.25	353.62	2.22	-42.03
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C(N)=O	REAL300020229239	0	42	-1.0	-46.03	334.73	1.74	-44.29
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C(N)=O	REAL300020229239	1	42	-1.0	-46.02	334.79	1.75	-44.27
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(N)=O	REAL300020229240	0	39	-1.0	-53.42	318.56	0.85	-52.57
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(N)=O	REAL300020229240	1	39	-1.0	-53.47	318.62	0.86	-52.61
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)C(C)=C1)C1=N[N-]N=N1	REAL300020229241	0	42	-1.0	-51.23	362.86	0.79	-50.44
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)C(C)=C1)C1=NN=N[N-]1	REAL300020229241	1	42	-1.0	-51.25	362.92	0.80	-50.45
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(N)=O	REAL300020229242	0	39	-1.0	-45.40	320.71	0.88	-44.52
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(N)=O	REAL300020229242	1	39	-1.0	-45.42	320.79	0.90	-44.52
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(N)=O	REAL300020229243	0	45	-1.0	-43.63	349.49	1.93	-41.70
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(N)=O	REAL300020229243	1	45	-1.0	-43.64	349.54	1.93	-41.71
CN(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020229244	0	43	-1.0	-43.10	373.69	5.06	-38.04
CN(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020229244	1	43	-1.0	-43.13	373.63	5.04	-38.09
CN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020229245	0	43	-1.0	-43.66	354.89	4.52	-39.14
CN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020229245	1	43	-1.0	-43.67	354.95	4.53	-39.14
CN(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020229246	0	40	-1.0	-54.19	339.43	3.60	-50.59
CN(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020229246	1	40	-1.0	-54.20	339.49	3.61	-50.59
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020229247	0	43	-1.0	-50.60	383.13	3.56	-47.04
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020229247	1	43	-1.0	-50.64	383.18	3.57	-47.07
CN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020229248	0	40	-1.0	-45.87	340.97	3.65	-42.22
CN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020229248	1	40	-1.0	-45.91	341.04	3.66	-42.25
CN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020229249	0	46	-1.0	-39.71	369.37	4.71	-35.00
CN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020229249	1	46	-1.0	-39.73	369.42	4.73	-35.00
O=C(NC1=CC=CC=C1OCCN1C=CN=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229250	0	49	-1.0	-47.57	395.67	7.27	-40.30
O=C(NC1=CC=CC=C1OCCN1C=CN=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229250	1	49	-1.0	-47.62	395.73	7.29	-40.33
O=C(NC1=CC=CC=C1OCCN1C=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229251	0	46	-1.0	-56.62	380.25	6.35	-50.27
O=C(NC1=CC=CC=C1OCCN1C=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229251	1	46	-1.0	-56.60	380.31	6.36	-50.24
O=C(NC1=CC=CC=C1OCCN1C=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229252	0	46	-1.0	-47.37	381.59	6.41	-40.96
O=C(NC1=CC=CC=C1OCCN1C=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229252	1	46	-1.0	-47.40	381.67	6.42	-40.98
O=C(NC1=CC=CC=C1OCCN1C=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229253	0	52	-1.0	-44.85	410.39	7.43	-37.42
O=C(NC1=CC=CC=C1OCCN1C=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229253	1	52	-1.0	-44.86	410.44	7.44	-37.42
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(N2CCCC2)C(Cl)=C1	REAL300020229254	0	47	-1.0	-51.95	391.85	5.65	-46.30
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(N2CCCC2)C(Cl)=C1	REAL300020229254	1	47	-1.0	-51.93	391.90	5.68	-46.25
O=C(NC1=CC=C(N2CCCC2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229255	0	47	-1.0	-42.59	371.70	5.12	-37.47
O=C(NC1=CC=C(N2CCCC2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229255	1	47	-1.0	-42.58	371.76	5.14	-37.44
O=C(NC1=CC=C(N2CCCC2)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229256	0	44	-1.0	-51.96	356.45	4.22	-47.74
O=C(NC1=CC=C(N2CCCC2)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229256	1	44	-1.0	-51.94	356.51	4.23	-47.71
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2)C(Cl)=C1)C1=N[N-]N=N1	REAL300020229257	0	47	-1.0	-45.60	400.87	4.24	-41.36
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2)C(Cl)=C1)C1=NN=N[N-]1	REAL300020229257	1	47	-1.0	-45.62	400.93	4.26	-41.36
O=C(NC1=CC=C(N2CCCC2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229258	0	44	-1.0	-42.47	357.84	4.27	-38.20
O=C(NC1=CC=C(N2CCCC2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229258	1	44	-1.0	-42.52	357.91	4.28	-38.24
O=C(NC1=CC=C(N2CCCC2)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229259	0	50	-1.0	-41.49	389.02	5.58	-35.91
O=C(NC1=CC=C(N2CCCC2)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229259	1	50	-1.0	-41.49	389.08	5.59	-35.90
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229260	0	42	-2.0	-96.31	374.08	5.42	-90.89
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229260	1	42	-2.0	-96.27	374.14	5.43	-90.84
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020229261	0	39	-2.0	-120.65	358.26	4.31	-116.34
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020229261	1	39	-2.0	-120.62	358.32	4.33	-116.29
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229262	0	39	-2.0	-98.44	358.98	4.37	-94.07
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229262	1	39	-2.0	-98.43	359.06	4.38	-94.05
O=C(NC1=CC(F)=CC=C1OCC1CCCO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229263	0	50	-1.0	-47.56	398.37	5.15	-42.41
O=C(NC1=CC(F)=CC=C1OCC1CCCO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229263	1	50	-1.0	-47.55	398.43	5.16	-42.39
O=C(NC1=CC(F)=CC=C1OCC1CCCO1)N1CCCC1C1=N[N-]N=N1	REAL300020229264	0	47	-1.0	-59.14	381.84	4.25	-54.89
O=C(NC1=CC(F)=CC=C1OCC1CCCO1)N1CCCC1C1=NN=N[N-]1	REAL300020229264	1	47	-1.0	-59.12	381.90	4.26	-54.86
O=C(NC1=CC(F)=CC=C1OCC1CCCO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229265	0	47	-1.0	-48.13	384.01	4.29	-43.84
O=C(NC1=CC(F)=CC=C1OCC1CCCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229265	1	47	-1.0	-48.16	384.08	4.31	-43.85
CCCCN(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229266	0	52	-1.0	-55.33	419.67	7.65	-47.68
CCCCN(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229266	1	52	-1.0	-55.33	419.61	7.63	-47.70
CCCCN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229267	0	52	-1.0	-44.93	398.96	7.23	-37.70
CCCCN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229267	1	52	-1.0	-44.89	399.02	7.24	-37.65
CCCCN(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229268	0	49	-1.0	-54.75	385.11	6.26	-48.49
CCCCN(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229268	1	49	-1.0	-54.73	385.17	6.27	-48.46
CCCCN(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020229269	0	52	-1.0	-49.87	428.38	6.21	-43.66
CCCCN(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020229269	1	52	-1.0	-49.88	428.44	6.23	-43.65
CCCCN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229270	0	49	-1.0	-45.45	386.48	6.32	-39.13
CCCCN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229270	1	49	-1.0	-45.49	386.56	6.33	-39.16
CCCCN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229271	0	55	-1.0	-51.57	409.08	8.18	-43.39
CCCCN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229271	1	55	-1.0	-51.57	409.14	8.19	-43.38
COC(=O)CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229272	0	47	-1.0	-57.85	401.66	7.01	-50.84
COC(=O)CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229272	1	47	-1.0	-57.84	401.60	6.98	-50.86
COC(=O)CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229273	0	47	-1.0	-46.88	382.61	6.53	-40.35
COC(=O)CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229273	1	47	-1.0	-46.89	382.67	6.55	-40.34
COC(=O)CCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229274	0	44	-1.0	-58.02	366.82	5.64	-52.38
COC(=O)CCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229274	1	44	-1.0	-58.06	366.88	5.66	-52.40
COC(=O)CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020229275	0	47	-1.0	-49.88	410.39	5.61	-44.27
COC(=O)CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020229275	1	47	-1.0	-49.88	410.45	5.63	-44.25
COC(=O)CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229276	0	44	-1.0	-47.36	368.22	5.70	-41.66
COC(=O)CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229276	1	44	-1.0	-47.41	368.29	5.71	-41.70
COC(=O)CCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229277	0	50	-1.0	-50.30	390.39	7.45	-42.85
COC(=O)CCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229277	1	50	-1.0	-50.29	390.44	7.46	-42.83
CNC(=O)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229278	0	49	-1.0	-56.76	414.10	3.35	-53.41
CNC(=O)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229278	1	49	-1.0	-56.81	414.16	3.38	-53.43
CNC(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229279	0	49	-1.0	-51.71	393.58	2.89	-48.82
CNC(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229279	1	49	-1.0	-51.71	393.64	2.90	-48.81
CNC(=O)CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229280	0	46	-1.0	-59.45	379.45	1.97	-57.48
CNC(=O)CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229280	1	46	-1.0	-59.46	379.51	1.99	-57.47
CNC(=O)CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020229281	0	49	-1.0	-57.73	423.27	1.91	-55.82
CNC(=O)CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020229281	1	49	-1.0	-57.73	423.33	1.92	-55.81
CNC(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229282	0	46	-1.0	-51.75	381.16	2.02	-49.73
CNC(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229282	1	46	-1.0	-51.82	381.23	2.02	-49.80
CNC(=O)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229283	0	52	-1.0	-57.60	403.03	3.78	-53.82
CNC(=O)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229283	1	52	-1.0	-57.66	403.08	3.78	-53.88
CN1C(=O)CCC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020229284	0	46	-1.0	-57.72	379.20	5.64	-52.08
CN1C(=O)CCC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020229284	1	46	-1.0	-57.74	379.14	5.61	-52.13
CN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020229285	0	46	-1.0	-46.36	360.98	5.20	-41.16
CN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020229285	1	46	-1.0	-46.37	361.03	5.22	-41.15
CN1C(=O)CCC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020229286	0	43	-1.0	-55.48	345.49	4.28	-51.20
CN1C(=O)CCC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020229286	1	43	-1.0	-55.48	345.55	4.29	-51.19
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CCC(=O)N2C)C1=N[N-]N=N1	REAL300020229287	0	46	-1.0	-49.37	388.74	4.27	-45.10
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CCC(=O)N2C)C1=NN=N[N-]1	REAL300020229287	1	46	-1.0	-49.34	388.79	4.28	-45.06
CN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020229288	0	43	-1.0	-46.81	346.86	4.35	-42.46
CN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020229288	1	43	-1.0	-46.80	346.93	4.35	-42.45
CN1C(=O)CCC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020229289	0	49	-1.0	-41.71	373.30	5.39	-36.32
CN1C(=O)CCC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020229289	1	49	-1.0	-41.68	373.34	5.39	-36.29
COC(=O)CCSCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229290	0	48	-1.0	-55.48	411.86	6.98	-48.50
COC(=O)CCSCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229290	1	48	-1.0	-55.52	411.92	7.00	-48.52
COC(=O)CCSCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229291	0	48	-1.0	-46.50	412.90	7.05	-39.45
COC(=O)CCSCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229291	1	48	-1.0	-46.50	412.97	7.07	-39.43
CCOC1=CC=C(OC)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229292	0	46	-1.0	-57.57	382.99	4.40	-53.17
CCOC1=CC=C(OC)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229292	1	46	-1.0	-57.58	382.93	4.38	-53.20
CCOC1=CC=C(OC)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229293	0	46	-1.0	-47.15	364.36	3.90	-43.25
CCOC1=CC=C(OC)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229293	1	46	-1.0	-47.18	364.41	3.91	-43.27
CCOC1=CC=C(OC)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229294	0	43	-1.0	-57.89	347.84	3.00	-54.89
CCOC1=CC=C(OC)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229294	1	43	-1.0	-57.86	347.90	3.03	-54.83
CCOC1=CC=C(OC)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020229295	0	46	-1.0	-52.37	391.35	2.97	-49.40
CCOC1=CC=C(OC)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020229295	1	46	-1.0	-52.39	391.41	2.99	-49.40
CCOC1=CC=C(OC)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229296	0	43	-1.0	-47.21	350.02	3.06	-44.15
CCOC1=CC=C(OC)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229296	1	43	-1.0	-47.21	350.09	3.07	-44.14
CCOC1=CC=C(OC)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229297	0	49	-1.0	-53.74	371.84	4.80	-48.94
CCOC1=CC=C(OC)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229297	1	49	-1.0	-53.72	371.90	4.80	-48.92
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229298	0	54	0.0	-80.48	434.07	7.05	-73.43
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229298	1	54	0.0	-80.44	434.13	7.08	-73.36
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229299	0	54	0.0	-69.14	413.42	6.64	-62.50
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229299	1	54	0.0	-69.21	413.48	6.65	-62.56
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229300	0	51	0.0	-83.24	399.29	5.72	-77.52
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229300	1	51	0.0	-83.26	399.35	5.74	-77.52
CSCC[C@H](NC(=O)NC1=CC=C(OCCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020229301	0	54	0.0	-70.26	443.10	5.66	-64.60
CSCC[C@H](NC(=O)NC1=CC=C(OCCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020229301	1	54	0.0	-70.22	443.16	5.67	-64.55
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229302	0	51	0.0	-69.28	400.99	5.76	-63.52
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229302	1	51	0.0	-69.28	401.06	5.77	-63.51
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229303	0	57	0.0	-68.64	422.87	7.52	-61.12
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229303	1	57	0.0	-68.61	422.92	7.53	-61.08
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=C(F)C=C1F	REAL300020229304	0	35	-1.0	-50.97	321.46	5.01	-45.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=C(F)C=C1F	REAL300020229304	1	35	-1.0	-50.97	321.41	4.98	-45.99
O=C(NC1=CC(F)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229305	0	35	-1.0	-40.83	302.42	4.53	-36.30
O=C(NC1=CC(F)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229305	1	35	-1.0	-40.89	302.48	4.54	-36.35
O=C(NC1=CC(F)=C(F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020229306	0	32	-1.0	-49.05	286.30	3.61	-45.44
O=C(NC1=CC(F)=C(F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020229306	1	32	-1.0	-49.08	286.36	3.62	-45.46
CSCC[C@H](NC(=O)NC1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL300020229307	0	35	-1.0	-44.00	330.63	3.59	-40.41
CSCC[C@H](NC(=O)NC1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL300020229307	1	35	-1.0	-43.96	330.69	3.60	-40.36
O=C(NC1=CC(F)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020229308	0	32	-1.0	-41.06	288.47	3.65	-37.41
O=C(NC1=CC(F)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020229308	1	32	-1.0	-41.08	288.55	3.67	-37.41
O=C(NC1=CC(F)=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020229309	0	38	-1.0	-45.53	310.30	5.39	-40.14
O=C(NC1=CC(F)=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020229309	1	38	-1.0	-45.57	310.36	5.40	-40.17
CC(C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1)N1CCOCC1	REAL300020229310	0	54	-1.0	-44.27	409.46	4.32	-39.95
CC(C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1)N1CCOCC1	REAL300020229310	1	54	-1.0	-44.28	409.51	4.33	-39.95
CC(C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1)N1CCOCC1	REAL300020229311	0	51	-1.0	-52.83	394.09	3.39	-49.44
CC(C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1)N1CCOCC1	REAL300020229311	1	51	-1.0	-52.83	394.15	3.40	-49.43
CC(C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)N1CCOCC1	REAL300020229312	0	51	-1.0	-44.05	395.14	3.46	-40.59
CC(C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)N1CCOCC1	REAL300020229312	1	51	-1.0	-44.04	395.21	3.48	-40.56
CC(C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1)N1CCOCC1	REAL300020229313	0	57	-1.0	-41.75	421.78	4.46	-37.29
CC(C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1)N1CCOCC1	REAL300020229313	1	57	-1.0	-41.74	421.82	4.47	-37.27
CCSC1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229314	0	42	-1.0	-53.71	378.28	7.29	-46.42
CCSC1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229314	1	42	-1.0	-53.73	378.22	7.26	-46.47
CCSC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229315	0	42	-1.0	-43.78	360.66	6.80	-36.98
CCSC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229315	1	42	-1.0	-43.81	360.71	6.81	-37.00
CCSC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229316	0	39	-1.0	-55.13	344.96	5.91	-49.22
CCSC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229316	1	39	-1.0	-55.13	345.02	5.94	-49.19
CCSC1=CC=C(Cl)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020229317	0	42	-1.0	-48.06	387.59	5.83	-42.23
CCSC1=CC=C(Cl)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020229317	1	42	-1.0	-48.04	387.64	5.85	-42.19
CCSC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229318	0	39	-1.0	-43.75	346.31	5.96	-37.79
CCSC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229318	1	39	-1.0	-43.76	346.38	5.97	-37.79
CCSC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229319	0	45	-1.0	-49.53	368.18	7.69	-41.84
CCSC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229319	1	45	-1.0	-49.49	368.23	7.70	-41.79
COC1=CC=C(OC(C)C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020229320	0	49	-1.0	-56.84	400.47	5.05	-51.79
COC1=CC=C(OC(C)C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020229320	1	49	-1.0	-56.87	400.42	5.02	-51.85
COC1=CC=C(OC(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229321	0	49	-1.0	-46.57	380.53	4.59	-41.98
COC1=CC=C(OC(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229321	1	49	-1.0	-46.62	380.58	4.61	-42.01
COC1=CC=C(OC(C)C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229322	0	46	-1.0	-57.82	365.75	3.63	-54.19
COC1=CC=C(OC(C)C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229322	1	46	-1.0	-57.82	365.81	3.65	-54.17
COC1=CC=C(OC(C)C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020229323	0	49	-1.0	-52.13	410.89	3.65	-48.48
COC1=CC=C(OC(C)C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020229323	1	49	-1.0	-52.19	410.94	3.67	-48.52
COC1=CC=C(OC(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229324	0	46	-1.0	-46.77	367.27	3.69	-43.08
COC1=CC=C(OC(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229324	1	46	-1.0	-46.83	367.34	3.70	-43.13
COC1=CC=C(OC(C)C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229325	0	52	-1.0	-46.28	392.11	4.60	-41.68
COC1=CC=C(OC(C)C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229325	1	52	-1.0	-46.29	392.15	4.61	-41.68
CC(C)SC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229326	0	45	-1.0	-43.38	376.15	7.36	-36.02
CC(C)SC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229326	1	45	-1.0	-43.36	376.21	7.38	-35.98
CC(C)SC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229327	0	42	-1.0	-53.51	360.44	6.44	-47.07
CC(C)SC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229327	1	42	-1.0	-53.49	360.49	6.45	-47.04
CC(C)SC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229328	0	42	-1.0	-43.28	362.52	6.50	-36.78
CC(C)SC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229328	1	42	-1.0	-43.31	362.59	6.51	-36.80
CC(C)SC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229329	0	48	-1.0	-41.18	385.10	7.41	-33.77
CC(C)SC1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229329	1	48	-1.0	-41.15	385.11	7.41	-33.74
CN(C1CC1)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229330	0	47	-1.0	-58.14	392.38	2.80	-55.34
CN(C1CC1)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229330	1	47	-1.0	-58.11	392.44	2.82	-55.29
CN(C1CC1)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229331	0	47	-1.0	-48.82	393.77	2.85	-45.97
CN(C1CC1)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229331	1	47	-1.0	-48.87	393.85	2.87	-46.00
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(=O)NC(C)C	REAL300020229332	0	51	-1.0	-50.26	417.50	5.47	-44.79
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(=O)NC(C)C	REAL300020229332	1	51	-1.0	-50.24	417.44	5.44	-44.80
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(=O)NC(C)C	REAL300020229333	0	51	-1.0	-46.24	398.79	4.88	-41.36
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(=O)NC(C)C	REAL300020229333	1	51	-1.0	-46.27	398.85	4.89	-41.38
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(=O)NC(C)C	REAL300020229334	0	48	-1.0	-52.96	383.53	3.98	-48.98
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(=O)NC(C)C	REAL300020229334	1	48	-1.0	-53.02	383.59	4.00	-49.02
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C(=O)NC(C)C)=C1)C1=N[N-]N=N1	REAL300020229335	0	51	-1.0	-47.82	427.02	3.95	-43.87
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C(=O)NC(C)C)=C1)C1=NN=N[N-]1	REAL300020229335	1	51	-1.0	-47.81	427.08	3.97	-43.84
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(=O)NC(C)C	REAL300020229336	0	48	-1.0	-45.56	384.73	4.05	-41.51
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(=O)NC(C)C	REAL300020229336	1	48	-1.0	-45.53	384.81	4.05	-41.48
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(=O)NC(C)C	REAL300020229337	0	54	-1.0	-40.77	407.96	4.99	-35.78
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(=O)NC(C)C	REAL300020229337	1	54	-1.0	-40.80	408.00	4.99	-35.81
CC1=CC=CC=C1COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229338	0	52	-1.0	-45.44	411.66	8.22	-37.22
CC1=CC=CC=C1COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229338	1	52	-1.0	-45.44	411.72	8.24	-37.20
CC1=CC=CC=C1COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229339	0	49	-1.0	-60.26	396.19	7.32	-52.94
CC1=CC=CC=C1COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229339	1	49	-1.0	-60.24	396.25	7.34	-52.90
CC1=CC=CC=C1COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229340	0	49	-1.0	-50.59	397.56	7.38	-43.21
CC1=CC=CC=C1COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229340	1	49	-1.0	-50.57	397.64	7.39	-43.18
CC(C)(C)S(=O)(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229341	0	50	-1.0	-60.69	409.10	3.57	-57.12
CC(C)(C)S(=O)(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229341	1	50	-1.0	-60.71	409.16	3.59	-57.12
CC(C)(C)S(=O)(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229342	0	50	-1.0	-52.16	410.15	3.65	-48.51
CC(C)(C)S(=O)(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229342	1	50	-1.0	-52.17	410.22	3.66	-48.51
N#CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=C1	REAL300020229343	0	47	-1.0	-45.50	393.67	7.50	-38.00
N#CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=C1	REAL300020229343	1	47	-1.0	-45.50	393.73	7.52	-37.98
N#CC1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=C1	REAL300020229344	0	44	-1.0	-54.72	378.86	6.62	-48.10
N#CC1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=C1	REAL300020229344	1	44	-1.0	-54.72	378.92	6.63	-48.09
N#CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020229345	0	44	-1.0	-45.30	380.19	6.67	-38.63
N#CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020229345	1	44	-1.0	-45.29	380.26	6.68	-38.61
CC(C#N)CSC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229346	0	46	-1.0	-44.31	401.18	7.82	-36.49
CC(C#N)CSC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229346	1	46	-1.0	-44.28	401.12	7.79	-36.49
CC(C#N)CSC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229347	0	46	-1.0	-46.49	382.39	7.33	-39.16
CC(C#N)CSC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229347	1	46	-1.0	-46.56	382.45	7.35	-39.21
CC(C#N)CSC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229348	0	43	-1.0	-55.52	366.97	6.42	-49.10
CC(C#N)CSC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229348	1	43	-1.0	-55.52	367.02	6.44	-49.08
CSCC[C@H](NC(=O)NC1=CC=CC=C1SCC(C)C#N)C1=N[N-]N=N1	REAL300020229349	0	46	-1.0	-50.10	410.48	6.38	-43.72
CSCC[C@H](NC(=O)NC1=CC=CC=C1SCC(C)C#N)C1=NN=N[N-]1	REAL300020229349	1	46	-1.0	-50.11	410.54	6.40	-43.71
CC(C#N)CSC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229350	0	43	-1.0	-46.37	368.33	6.47	-39.90
CC(C#N)CSC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229350	1	43	-1.0	-46.37	368.41	6.48	-39.89
CC(C#N)CSC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229351	0	49	-1.0	-41.41	392.94	7.49	-33.92
CC(C#N)CSC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229351	1	49	-1.0	-41.41	392.99	7.51	-33.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(OC2=CC=NC=C2)=C1	REAL300020229352	0	45	-1.0	-45.75	387.77	5.87	-39.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(OC2=CC=NC=C2)=C1	REAL300020229352	1	45	-1.0	-45.74	387.83	5.89	-39.85
O=C(NC1=CC=CC(OC2=CC=NC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229353	0	45	-1.0	-43.61	368.98	5.43	-38.18
O=C(NC1=CC=CC(OC2=CC=NC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229353	1	45	-1.0	-43.67	369.03	5.45	-38.22
O=C(NC1=CC=CC(OC2=CC=NC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229354	0	42	-1.0	-61.14	351.99	4.49	-56.65
O=C(NC1=CC=CC(OC2=CC=NC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229354	1	42	-1.0	-61.13	352.05	4.51	-56.62
CSCC[C@H](NC(=O)NC1=CC=CC(OC2=CC=NC=C2)=C1)C1=N[N-]N=N1	REAL300020229355	0	45	-1.0	-46.69	395.82	4.47	-42.22
CSCC[C@H](NC(=O)NC1=CC=CC(OC2=CC=NC=C2)=C1)C1=NN=N[N-]1	REAL300020229355	1	45	-1.0	-46.68	395.88	4.48	-42.20
O=C(NC1=CC=CC(OC2=CC=NC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229356	0	42	-1.0	-48.09	353.35	4.54	-43.55
O=C(NC1=CC=CC(OC2=CC=NC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229356	1	42	-1.0	-48.12	353.42	4.55	-43.57
O=C(NC1=CC=CC(OC2=CC=NC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229357	0	48	-1.0	-43.17	376.35	5.65	-37.52
O=C(NC1=CC=CC(OC2=CC=NC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229357	1	48	-1.0	-43.17	376.42	5.68	-37.49
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229358	0	46	-1.0	-51.60	382.02	1.76	-49.84
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229358	1	46	-1.0	-51.61	382.08	1.77	-49.84
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229359	0	43	-1.0	-56.77	363.68	0.97	-55.80
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229359	1	43	-1.0	-56.76	363.74	0.99	-55.77
CCS(=O)(=O)NC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020229360	0	46	-1.0	-59.24	410.90	0.84	-58.40
CCS(=O)(=O)NC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020229360	1	46	-1.0	-59.25	410.96	0.86	-58.39
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229361	0	43	-1.0	-51.38	365.26	1.02	-50.36
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229361	1	43	-1.0	-51.43	365.33	1.03	-50.40
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229362	0	49	-1.0	-55.53	390.06	2.64	-52.89
CCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229362	1	49	-1.0	-55.51	390.12	2.64	-52.87
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C(=O)NC(C)C	REAL300020229363	0	51	-1.0	-43.77	417.37	5.43	-38.34
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C(=O)NC(C)C	REAL300020229363	1	51	-1.0	-43.79	417.43	5.45	-38.34
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C(=O)NC(C)C	REAL300020229364	0	51	-1.0	-45.70	398.78	4.89	-40.81
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C(=O)NC(C)C	REAL300020229364	1	51	-1.0	-45.69	398.83	4.91	-40.78
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(=O)NC(C)C	REAL300020229365	0	48	-1.0	-54.08	383.08	3.99	-50.09
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(=O)NC(C)C	REAL300020229365	1	48	-1.0	-54.07	383.14	4.01	-50.06
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)NC(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300020229366	0	51	-1.0	-47.56	426.92	3.94	-43.62
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)NC(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300020229366	1	51	-1.0	-47.59	426.98	3.96	-43.63
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(=O)NC(C)C	REAL300020229367	0	48	-1.0	-44.97	384.74	4.04	-40.93
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(=O)NC(C)C	REAL300020229367	1	48	-1.0	-45.01	384.82	4.05	-40.96
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(=O)NC(C)C	REAL300020229368	0	54	-1.0	-43.57	413.39	5.09	-38.48
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(=O)NC(C)C	REAL300020229368	1	54	-1.0	-43.62	413.44	5.10	-38.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(N2CCCC2=O)C(F)=C1	REAL300020229369	0	46	-1.0	-64.51	395.23	6.25	-58.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(N2CCCC2=O)C(F)=C1	REAL300020229369	1	46	-1.0	-64.56	395.29	6.28	-58.28
O=C(NC1=CC=C(N2CCCC2=O)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229370	0	46	-1.0	-48.52	374.86	5.81	-42.71
O=C(NC1=CC=C(N2CCCC2=O)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229370	1	46	-1.0	-48.59	374.92	5.82	-42.77
O=C(NC1=CC=C(N2CCCC2=O)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229371	0	43	-1.0	-60.71	360.92	4.85	-55.86
O=C(NC1=CC=C(N2CCCC2=O)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229371	1	43	-1.0	-60.64	360.98	4.87	-55.77
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2=O)C(F)=C1)C1=N[N-]N=N1	REAL300020229372	0	46	-1.0	-59.09	404.13	4.84	-54.25
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2=O)C(F)=C1)C1=NN=N[N-]1	REAL300020229372	1	46	-1.0	-59.10	404.19	4.85	-54.25
O=C(NC1=CC=C(N2CCCC2=O)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229373	0	43	-1.0	-52.60	362.29	4.91	-47.69
O=C(NC1=CC=C(N2CCCC2=O)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229373	1	43	-1.0	-52.61	362.36	4.91	-47.70
O=C(NC1=CC=C(N2CCCC2=O)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229374	0	49	-1.0	-50.41	390.66	5.96	-44.45
O=C(NC1=CC=C(N2CCCC2=O)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229374	1	49	-1.0	-50.38	390.70	5.98	-44.40
CC1=CC=C(NC(=O)C(C)(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229375	0	54	-1.0	-45.69	415.27	6.05	-39.64
CC1=CC=C(NC(=O)C(C)(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229375	1	54	-1.0	-45.73	415.33	6.06	-39.67
CC1=CC=C(NC(=O)C(C)(C)C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229376	0	51	-1.0	-53.85	401.14	5.16	-48.69
CC1=CC=C(NC(=O)C(C)(C)C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229376	1	51	-1.0	-53.90	401.20	5.19	-48.71
CC1=CC=C(NC(=O)C(C)(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229377	0	51	-1.0	-45.71	402.48	5.22	-40.49
CC1=CC=C(NC(=O)C(C)(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229377	1	51	-1.0	-45.73	402.55	5.23	-40.50
CC1=CC=C(NC(=O)C(C)(C)C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229378	0	57	-1.0	-54.82	424.19	6.93	-47.89
CC1=CC=C(NC(=O)C(C)(C)C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229378	1	57	-1.0	-54.83	424.25	6.93	-47.90
O=C(NC1=CC=C(OC2=CC=C(Cl)N=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229379	0	41	-1.0	-58.18	366.76	2.88	-55.30
O=C(NC1=CC=C(OC2=CC=C(Cl)N=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229379	1	41	-1.0	-58.17	366.70	2.87	-55.30
O=C(NC1=CC=C(OC2=CC=C(Cl)N=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229380	0	41	-1.0	-49.28	368.29	2.93	-46.35
O=C(NC1=CC=C(OC2=CC=C(Cl)N=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229380	1	41	-1.0	-49.28	368.21	2.91	-46.37
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020229381	0	39	-1.0	-42.71	333.97	4.25	-38.46
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020229381	1	39	-1.0	-42.74	334.03	4.26	-38.48
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020229382	0	36	-1.0	-58.98	318.42	3.36	-55.62
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020229382	1	36	-1.0	-59.01	318.48	3.37	-55.64
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020229383	0	36	-1.0	-47.47	320.05	3.38	-44.09
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020229383	1	36	-1.0	-47.50	320.12	3.39	-44.11
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020229384	0	42	-1.0	-40.89	348.46	4.43	-36.46
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020229384	1	42	-1.0	-40.87	348.51	4.45	-36.42
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)C=C1	REAL300020229385	0	45	-2.0	-95.85	389.04	6.02	-89.83
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)C=C1	REAL300020229385	1	45	-2.0	-95.81	389.10	6.04	-89.77
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)S2)C=C1	REAL300020229386	0	42	-2.0	-119.73	373.25	4.92	-114.81
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)S2)C=C1	REAL300020229386	1	42	-2.0	-119.73	373.31	4.94	-114.79
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020229387	0	42	-2.0	-97.67	374.00	4.97	-92.70
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020229387	1	42	-2.0	-97.65	374.07	4.98	-92.67
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)C=C1	REAL300020229388	0	48	-2.0	-116.33	397.66	7.02	-109.31
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)C=C1	REAL300020229388	1	48	-2.0	-116.40	397.71	7.02	-109.38
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)N=C1	REAL300020229389	0	48	-1.0	-47.30	391.35	5.32	-41.98
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)N=C1	REAL300020229389	1	48	-1.0	-47.32	391.30	5.30	-42.02
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)N=C1	REAL300020229390	0	45	-1.0	-57.47	376.36	4.43	-53.04
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)N=C1	REAL300020229390	1	45	-1.0	-57.51	376.31	4.41	-53.10
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=C(C)C=N2)C=C1)C1=NN=N[N-]1	REAL300020229391	0	48	-1.0	-52.23	420.05	4.39	-47.84
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=C(C)C=N2)C=C1)C1=N[N-]N=N1	REAL300020229391	1	48	-1.0	-52.15	419.99	4.38	-47.77
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020229392	0	45	-1.0	-47.76	377.93	4.48	-43.28
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)N=C1	REAL300020229392	1	45	-1.0	-47.75	377.85	4.47	-43.28
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)N=C1	REAL300020229393	0	51	-1.0	-45.77	407.34	5.49	-40.28
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)N=C1	REAL300020229393	1	51	-1.0	-45.72	407.29	5.47	-40.25
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229394	0	42	-2.0	-99.68	373.22	5.40	-94.28
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229394	1	42	-2.0	-99.69	373.27	5.41	-94.28
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020229395	0	39	-2.0	-119.09	357.31	4.28	-114.81
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020229395	1	39	-2.0	-119.10	357.36	4.31	-114.79
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229396	0	39	-2.0	-101.75	358.15	4.35	-97.40
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229396	1	39	-2.0	-101.78	358.22	4.36	-97.42
CC(C)N1N=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020229397	0	47	-1.0	-48.42	393.79	6.36	-42.06
CC(C)N1N=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020229397	1	47	-1.0	-48.40	393.73	6.34	-42.06
CC(C)N1N=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020229398	0	47	-1.0	-45.57	375.04	5.84	-39.73
CC(C)N1N=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020229398	1	47	-1.0	-45.57	374.99	5.82	-39.75
CC(C)N1N=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020229399	0	44	-1.0	-55.96	359.47	4.94	-51.02
CC(C)N1N=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020229399	1	44	-1.0	-55.96	359.41	4.93	-51.03
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C=NN2C(C)C)C1=NN=N[N-]1	REAL300020229400	0	47	-1.0	-49.48	403.31	4.88	-44.60
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C=NN2C(C)C)C1=N[N-]N=N1	REAL300020229400	1	47	-1.0	-49.47	403.25	4.87	-44.60
CC(C)N1N=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020229401	0	44	-1.0	-45.75	360.85	4.99	-40.76
CC(C)N1N=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020229401	1	44	-1.0	-45.73	360.77	4.98	-40.75
CC(C)N1N=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020229402	0	50	-1.0	-42.91	387.44	5.99	-36.92
CC(C)N1N=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020229402	1	50	-1.0	-42.94	387.40	5.98	-36.96
O=C(NC1=CC=CC(CSC2CCOCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229403	0	50	-1.0	-53.51	407.52	6.29	-47.22
O=C(NC1=CC=CC(CSC2CCOCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229403	1	50	-1.0	-53.53	407.58	6.31	-47.22
O=C(NC1=CC=CC(CSC2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229404	0	50	-1.0	-47.02	408.85	6.34	-40.68
O=C(NC1=CC=CC(CSC2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229404	1	50	-1.0	-47.01	408.93	6.36	-40.65
O=C(NC1=CC=C(OCC2CC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229405	0	46	-1.0	-51.26	386.21	6.59	-44.67
O=C(NC1=CC=C(OCC2CC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229405	1	46	-1.0	-51.26	386.15	6.57	-44.69
O=C(NC1=CC=C(OCC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229406	0	46	-1.0	-44.77	367.31	6.08	-38.69
O=C(NC1=CC=C(OCC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229406	1	46	-1.0	-44.77	367.36	6.09	-38.68
O=C(NC1=CC=C(OCC2CC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229407	0	43	-1.0	-54.01	351.80	5.16	-48.85
O=C(NC1=CC=C(OCC2CC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229407	1	43	-1.0	-54.00	351.86	5.18	-48.82
CSCC[C@H](NC(=O)NC1=CC=C(OCC2CC2)C=C1)C1=N[N-]N=N1	REAL300020229408	0	46	-1.0	-49.78	395.33	5.12	-44.66
CSCC[C@H](NC(=O)NC1=CC=C(OCC2CC2)C=C1)C1=NN=N[N-]1	REAL300020229408	1	46	-1.0	-49.79	395.39	5.14	-44.65
O=C(NC1=CC=C(OCC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229409	0	43	-1.0	-44.83	353.19	5.21	-39.62
O=C(NC1=CC=C(OCC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229409	1	43	-1.0	-44.85	353.26	5.22	-39.63
O=C(NC1=CC=C(OCC2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229410	0	49	-1.0	-49.32	375.10	6.99	-42.33
O=C(NC1=CC=C(OCC2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229410	1	49	-1.0	-49.33	375.15	6.99	-42.34
CC(=O)NCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229411	0	45	-1.0	-59.23	385.49	3.78	-55.45
CC(=O)NCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229411	1	45	-1.0	-59.24	385.43	3.76	-55.48
CC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229412	0	45	-1.0	-48.15	366.44	3.31	-44.84
CC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229412	1	45	-1.0	-48.15	366.50	3.32	-44.83
CC(=O)NCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229413	0	42	-1.0	-57.65	350.95	2.38	-55.27
CC(=O)NCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229413	1	42	-1.0	-57.66	351.01	2.40	-55.26
CSCC[C@H](NC(=O)NC1=CC=C(CNC(C)=O)C=C1)C1=N[N-]N=N1	REAL300020229414	0	45	-1.0	-52.44	394.48	2.34	-50.10
CSCC[C@H](NC(=O)NC1=CC=C(CNC(C)=O)C=C1)C1=NN=N[N-]1	REAL300020229414	1	45	-1.0	-52.47	394.54	2.36	-50.11
CC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229415	0	42	-1.0	-48.57	351.76	2.47	-46.10
CC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229415	1	42	-1.0	-48.57	351.84	2.48	-46.09
CC(=O)NCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229416	0	48	-1.0	-49.99	373.94	4.22	-45.77
CC(=O)NCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229416	1	48	-1.0	-50.00	373.99	4.23	-45.77
CCS(=O)(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020229417	0	44	-1.0	-59.57	385.31	3.21	-56.36
CCS(=O)(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020229417	1	44	-1.0	-59.51	385.26	3.19	-56.32
CCS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229418	0	44	-1.0	-50.01	366.31	2.72	-47.29
CCS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229418	1	44	-1.0	-50.03	366.37	2.74	-47.29
CCS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229419	0	41	-1.0	-60.77	350.96	1.78	-58.99
CCS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229419	1	41	-1.0	-60.79	351.02	1.80	-58.99
CCS(=O)(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020229420	0	44	-1.0	-54.45	394.18	1.78	-52.67
CCS(=O)(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020229420	1	44	-1.0	-54.44	394.24	1.80	-52.64
CCS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229421	0	41	-1.0	-50.52	352.01	1.86	-48.66
CCS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229421	1	41	-1.0	-50.59	352.08	1.87	-48.72
CCS(=O)(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229422	0	47	-1.0	-57.28	374.31	3.59	-53.69
CCS(=O)(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229422	1	47	-1.0	-57.29	374.36	3.61	-53.68
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN=C1C	REAL300020229423	0	39	-1.0	-54.41	333.00	4.40	-50.01
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN=C1C	REAL300020229423	1	39	-1.0	-54.38	332.94	4.37	-50.01
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN=C1C	REAL300020229424	0	39	-1.0	-52.57	313.98	3.86	-48.71
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN=C1C	REAL300020229424	1	39	-1.0	-52.63	314.04	3.88	-48.75
CSCC[C@H](NC(=O)NC1=CC(C)=C(C)N=N1)C1=N[N-]N=N1	REAL300020229425	0	39	-1.0	-58.19	342.19	2.92	-55.27
CSCC[C@H](NC(=O)NC1=CC(C)=C(C)N=N1)C1=NN=N[N-]1	REAL300020229425	1	39	-1.0	-58.18	342.25	2.93	-55.25
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN=C1C	REAL300020229426	0	42	-1.0	-62.53	322.60	4.72	-57.81
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN=C1C	REAL300020229426	1	42	-1.0	-62.56	322.66	4.74	-57.82
CC(C)OC1=C(Cl)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229427	0	45	-1.0	-39.40	387.37	7.17	-32.23
CC(C)OC1=C(Cl)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229427	1	45	-1.0	-39.41	387.32	7.14	-32.27
CC(C)OC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229428	0	45	-1.0	-40.41	367.14	5.85	-34.56
CC(C)OC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229428	1	45	-1.0	-40.41	367.20	5.87	-34.54
CC(C)OC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229429	0	42	-1.0	-50.35	352.63	4.94	-45.41
CC(C)OC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229429	1	42	-1.0	-50.36	352.69	4.96	-45.40
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1OC(C)C)C1=N[N-]N=N1	REAL300020229430	0	45	-1.0	-44.10	396.06	4.89	-39.21
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1OC(C)C)C1=NN=N[N-]1	REAL300020229430	1	45	-1.0	-44.07	396.12	4.91	-39.16
CC(C)OC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229431	0	42	-1.0	-40.61	354.78	5.58	-35.03
CC(C)OC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229431	1	42	-1.0	-40.59	354.85	5.59	-35.00
CC(C)OC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229432	0	48	-1.0	-45.71	375.73	6.71	-39.00
CC(C)OC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229432	1	48	-1.0	-45.77	375.78	6.72	-39.05
CC(C)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020229433	0	47	-1.0	-41.68	393.86	3.90	-37.78
CC(C)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020229433	1	47	-1.0	-41.69	393.80	3.88	-37.81
CC(C)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020229434	0	47	-1.0	-43.43	374.56	3.46	-39.97
CC(C)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020229434	1	47	-1.0	-43.44	374.50	3.45	-39.99
CC(C)COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020229435	0	44	-1.0	-51.56	359.37	2.52	-49.04
CC(C)COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020229435	1	44	-1.0	-51.55	359.31	2.50	-49.05
CSCC[C@H](NC(=O)NC1=CC=C(OCC(C)C)N=C1)C1=NN=N[N-]1	REAL300020229436	0	47	-1.0	-45.62	402.67	2.51	-43.11
CSCC[C@H](NC(=O)NC1=CC=C(OCC(C)C)N=C1)C1=N[N-]N=N1	REAL300020229436	1	47	-1.0	-45.57	402.62	2.49	-43.08
CC(C)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020229437	0	44	-1.0	-43.29	360.75	2.57	-40.72
CC(C)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020229437	1	44	-1.0	-43.28	360.68	2.57	-40.71
CC(C)COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020229438	0	50	-1.0	-40.15	389.13	3.57	-36.58
CC(C)COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020229438	1	50	-1.0	-40.13	389.09	3.55	-36.58
CC(=O)N(CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C(C)C	REAL300020229439	0	54	-1.0	-49.58	414.02	6.77	-42.81
CC(=O)N(CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C(C)C	REAL300020229439	1	54	-1.0	-49.64	414.08	6.78	-42.86
CC(=O)N(CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)C(C)C	REAL300020229440	0	51	-1.0	-63.17	394.82	5.63	-57.54
CC(=O)N(CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)C(C)C	REAL300020229440	1	51	-1.0	-63.17	394.88	5.65	-57.52
CC(=O)N(CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300020229441	0	51	-1.0	-53.35	400.14	5.80	-47.55
CC(=O)N(CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300020229441	1	51	-1.0	-53.38	400.21	5.80	-47.58
CC(=O)N(CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C(C)C	REAL300020229442	0	57	-1.0	-50.86	418.39	7.48	-43.38
CC(=O)N(CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C(C)C	REAL300020229442	1	57	-1.0	-50.84	418.44	7.48	-43.36
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1NC(=O)C(C)(C)C	REAL300020229443	0	54	-1.0	-48.52	417.49	6.09	-42.43
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1NC(=O)C(C)(C)C	REAL300020229443	1	54	-1.0	-48.51	417.54	6.10	-42.41
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1NC(=O)C(C)(C)C	REAL300020229444	0	51	-1.0	-59.39	402.12	5.22	-54.17
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1NC(=O)C(C)(C)C	REAL300020229444	1	51	-1.0	-59.40	402.18	5.23	-54.17
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1NC(=O)C(C)(C)C	REAL300020229445	0	51	-1.0	-49.12	403.50	5.26	-43.86
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1NC(=O)C(C)(C)C	REAL300020229445	1	51	-1.0	-49.10	403.57	5.27	-43.83
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1NC(=O)C(C)(C)C	REAL300020229446	0	57	-1.0	-53.60	425.90	7.00	-46.60
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1NC(=O)C(C)(C)C	REAL300020229446	1	57	-1.0	-53.63	425.95	7.00	-46.63
O=C(NC1=CC=CC(OC2=CC=C([N+](=O)[O-])C=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229447	0	45	-1.0	-59.88	385.49	6.91	-52.97
O=C(NC1=CC=CC(OC2=CC=C([N+](=O)[O-])C=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229447	1	45	-1.0	-59.88	385.55	6.92	-52.96
O=C(NC1=CC=CC(OC2=CC=C([N+](=O)[O-])C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229448	0	45	-1.0	-48.59	386.85	6.95	-41.64
O=C(NC1=CC=CC(OC2=CC=C([N+](=O)[O-])C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229448	1	45	-1.0	-48.63	386.92	6.97	-41.66
CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229449	0	52	-1.0	-44.63	413.83	8.46	-36.17
CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229449	1	52	-1.0	-44.61	413.89	8.48	-36.13
CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229450	0	49	-1.0	-56.65	397.38	7.53	-49.12
CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229450	1	49	-1.0	-56.69	397.44	7.55	-49.14
CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229451	0	49	-1.0	-45.15	398.90	7.58	-37.57
CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229451	1	49	-1.0	-45.18	398.97	7.60	-37.58
CC(CC#N)SC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229452	0	46	-1.0	-48.75	397.71	7.73	-41.02
CC(CC#N)SC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229452	1	46	-1.0	-48.73	397.66	7.71	-41.02
CC(CC#N)SC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229453	0	46	-1.0	-50.88	379.02	7.24	-43.64
CC(CC#N)SC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229453	1	46	-1.0	-50.87	379.08	7.25	-43.62
CC(CC#N)SC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229454	0	43	-1.0	-62.06	364.41	6.36	-55.70
CC(CC#N)SC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229454	1	43	-1.0	-62.06	364.47	6.39	-55.67
CSCC[C@H](NC(=O)NC1=CC=CC=C1SC(C)CC#N)C1=N[N-]N=N1	REAL300020229455	0	46	-1.0	-55.28	406.75	6.26	-49.02
CSCC[C@H](NC(=O)NC1=CC=CC=C1SC(C)CC#N)C1=NN=N[N-]1	REAL300020229455	1	46	-1.0	-55.23	406.81	6.28	-48.95
CC(CC#N)SC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229456	0	43	-1.0	-50.19	365.07	6.41	-43.78
CC(CC#N)SC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229456	1	43	-1.0	-50.20	365.14	6.41	-43.79
CC(CC#N)SC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229457	0	49	-1.0	-53.23	389.60	7.39	-45.84
CC(CC#N)SC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229457	1	49	-1.0	-53.25	389.65	7.41	-45.84
CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229458	0	50	-1.0	-54.34	407.90	4.00	-50.34
CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229458	1	50	-1.0	-54.36	407.96	4.01	-50.35
CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229459	0	47	-1.0	-61.35	392.36	3.05	-58.30
CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229459	1	47	-1.0	-61.32	392.41	3.07	-58.25
CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229460	0	47	-1.0	-52.71	393.40	3.13	-49.58
CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229460	1	47	-1.0	-52.75	393.47	3.15	-49.60
C#CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020229461	0	41	-1.0	-47.43	360.46	5.53	-41.90
C#CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020229461	1	41	-1.0	-47.43	360.40	5.51	-41.92
C#CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229462	0	41	-1.0	-50.63	341.33	5.06	-45.57
C#CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229462	1	41	-1.0	-50.63	341.39	5.08	-45.55
C#CCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229463	0	38	-1.0	-63.76	325.63	4.17	-59.59
C#CCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229463	1	38	-1.0	-63.79	325.69	4.18	-59.61
C#CCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020229464	0	41	-1.0	-56.36	369.43	4.10	-52.26
C#CCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020229464	1	41	-1.0	-56.37	369.48	4.12	-52.25
C#CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229465	0	38	-1.0	-50.63	327.29	4.19	-46.44
C#CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229465	1	38	-1.0	-50.60	327.36	4.21	-46.39
C#CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229466	0	44	-1.0	-45.63	355.66	5.25	-40.38
C#CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229466	1	44	-1.0	-45.62	355.71	5.27	-40.35
C#CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229467	0	41	-1.0	-50.50	360.32	5.56	-44.94
C#CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229467	1	41	-1.0	-50.46	360.26	5.54	-44.92
C#CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229468	0	41	-1.0	-45.33	339.75	5.08	-40.25
C#CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229468	1	41	-1.0	-45.31	339.81	5.10	-40.21
C#CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229469	0	38	-1.0	-58.62	325.62	4.16	-54.46
C#CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229469	1	38	-1.0	-58.64	325.68	4.17	-54.47
C#CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020229470	0	41	-1.0	-49.34	369.44	4.08	-45.26
C#CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020229470	1	41	-1.0	-49.34	369.50	4.10	-45.24
C#CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229471	0	38	-1.0	-45.38	327.33	4.19	-41.19
C#CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229471	1	38	-1.0	-45.41	327.40	4.20	-41.21
C#CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229472	0	44	-1.0	-50.47	349.20	5.96	-44.51
C#CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229472	1	44	-1.0	-50.45	349.26	5.96	-44.49
O=C(NC1=CC=C(OCCC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229473	0	51	-1.0	-47.15	414.55	5.71	-41.44
O=C(NC1=CC=C(OCCC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229473	1	51	-1.0	-47.14	414.49	5.69	-41.45
O=C(NC1=CC=C(OCCC2=CC=CC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229474	0	48	-1.0	-52.55	399.17	4.86	-47.69
O=C(NC1=CC=C(OCCC2=CC=CC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229474	1	48	-1.0	-52.52	399.11	4.84	-47.68
O=C(NC1=CC=C(OCCC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229475	0	48	-1.0	-44.23	400.55	4.91	-39.32
O=C(NC1=CC=C(OCCC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229475	1	48	-1.0	-44.23	400.48	4.91	-39.32
CC1=CC=NC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)=N1	REAL300020229476	0	46	-1.0	-54.09	393.52	6.76	-47.33
CC1=CC=NC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=N1	REAL300020229476	1	46	-1.0	-54.06	393.46	6.74	-47.32
CC1=CC=NC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300020229477	0	46	-1.0	-48.59	373.50	6.26	-42.33
CC1=CC=NC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300020229477	1	46	-1.0	-48.59	373.44	6.24	-42.35
CC1=CC=NC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020229478	0	43	-1.0	-58.17	359.59	5.29	-52.88
CC1=CC=NC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020229478	1	43	-1.0	-58.16	359.54	5.27	-52.89
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC=CC(C)=N2)C=C1)C1=NN=N[N-]1	REAL300020229479	0	46	-1.0	-52.64	402.75	5.30	-47.34
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC=CC(C)=N2)C=C1)C1=N[N-]N=N1	REAL300020229479	1	46	-1.0	-52.66	402.70	5.28	-47.38
CC1=CC=NC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020229480	0	43	-1.0	-48.58	360.63	5.38	-43.20
CC1=CC=NC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020229480	1	43	-1.0	-48.53	360.56	5.38	-43.15
CC1=CC=NC(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=N1	REAL300020229481	0	49	-1.0	-56.92	380.37	7.18	-49.74
CC1=CC=NC(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=N1	REAL300020229481	1	49	-1.0	-56.90	380.33	7.17	-49.73
O=C(NC1=CC=CC(Cl)=C1SCC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020229482	0	39	-1.0	-50.74	359.87	6.26	-44.48
O=C(NC1=CC=CC(Cl)=C1SCC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020229482	1	39	-1.0	-50.69	359.92	6.28	-44.41
O=C(NC1=CC=CC(Cl)=C1SCC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020229483	0	39	-1.0	-41.76	361.27	6.29	-35.47
O=C(NC1=CC=CC(Cl)=C1SCC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020229483	1	39	-1.0	-41.76	361.34	6.31	-35.45
CS(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229484	0	40	-1.0	-72.71	355.51	3.36	-69.35
CS(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229484	1	40	-1.0	-72.71	355.46	3.33	-69.38
CS(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229485	0	40	-1.0	-59.46	336.38	2.90	-56.56
CS(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229485	1	40	-1.0	-59.44	336.43	2.91	-56.53
CS(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229486	0	37	-1.0	-73.11	320.67	1.99	-71.12
CS(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229486	1	37	-1.0	-73.12	320.73	2.01	-71.11
CSCC[C@H](NC(=O)NC1=CC=C(S(C)=O)C=C1)C1=N[N-]N=N1	REAL300020229487	0	40	-1.0	-65.74	364.51	1.92	-63.82
CSCC[C@H](NC(=O)NC1=CC=C(S(C)=O)C=C1)C1=NN=N[N-]1	REAL300020229487	1	40	-1.0	-65.79	364.57	1.93	-63.86
CS(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229488	0	37	-1.0	-59.07	322.03	2.04	-57.03
CS(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229488	1	37	-1.0	-59.04	322.10	2.06	-56.98
CS(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229489	0	43	-1.0	-53.83	344.25	3.80	-50.03
CS(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229489	1	43	-1.0	-53.81	344.30	3.81	-50.00
CS(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020229490	0	40	-1.0	-76.44	360.04	3.53	-72.91
CS(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020229490	1	40	-1.0	-76.43	359.98	3.50	-72.93
CS(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020229491	0	40	-1.0	-62.63	340.53	3.08	-59.55
CS(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020229491	1	40	-1.0	-62.62	340.58	3.09	-59.53
CS(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020229492	0	37	-1.0	-78.11	325.24	2.16	-75.95
CS(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020229492	1	37	-1.0	-78.14	325.29	2.17	-75.97
CSCC[C@H](NC(=O)NC1=CC=C(S(C)=O)C(F)=C1)C1=N[N-]N=N1	REAL300020229493	0	40	-1.0	-52.14	368.75	2.13	-50.01
CSCC[C@H](NC(=O)NC1=CC=C(S(C)=O)C(F)=C1)C1=NN=N[N-]1	REAL300020229493	1	40	-1.0	-52.12	368.80	2.14	-49.98
CS(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020229494	0	37	-1.0	-63.51	326.61	2.21	-61.30
CS(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020229494	1	37	-1.0	-63.48	326.69	2.22	-61.26
CS(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020229495	0	43	-1.0	-52.78	355.28	3.24	-49.54
CS(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020229495	1	43	-1.0	-52.81	355.32	3.26	-49.55
CN(C)C(=O)CN1C=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020229496	0	44	-1.0	-59.03	379.82	6.42	-52.61
CN(C)C(=O)CN1C=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020229496	1	44	-1.0	-59.00	379.76	6.39	-52.61
CN(C)C(=O)CN1C=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020229497	0	44	-1.0	-61.75	360.19	5.94	-55.81
CN(C)C(=O)CN1C=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020229497	1	44	-1.0	-61.73	360.13	5.92	-55.81
CN(C)C(=O)CN1C=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020229498	0	41	-1.0	-71.81	344.76	5.05	-66.76
CN(C)C(=O)CN1C=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020229498	1	41	-1.0	-71.77	344.70	5.03	-66.74
CSCC[C@H](NC(=O)NC1=NN(CC(=O)N(C)C)C=N1)C1=NN=N[N-]1	REAL300020229499	0	44	-1.0	-64.93	387.95	5.01	-59.92
CSCC[C@H](NC(=O)NC1=NN(CC(=O)N(C)C)C=N1)C1=N[N-]N=N1	REAL300020229499	1	44	-1.0	-64.96	387.90	5.00	-59.96
CN(C)C(=O)CN1C=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020229500	0	41	-1.0	-60.35	346.89	5.12	-55.23
CN(C)C(=O)CN1C=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020229500	1	41	-1.0	-60.35	346.82	5.12	-55.23
CN(C)C(=O)CN1C=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020229501	0	47	-1.0	-67.14	368.02	6.82	-60.32
CN(C)C(=O)CN1C=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020229501	1	47	-1.0	-67.16	367.97	6.81	-60.35
CC1=CC=NC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=N1	REAL300020229502	0	46	-1.0	-63.56	394.05	6.69	-56.87
CC1=CC=NC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=N1	REAL300020229502	1	46	-1.0	-63.54	394.00	6.66	-56.88
CC1=CC=NC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300020229503	0	46	-1.0	-51.12	374.70	6.28	-44.84
CC1=CC=NC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300020229503	1	46	-1.0	-51.09	374.64	6.26	-44.83
CC1=CC=NC(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020229504	0	43	-1.0	-66.04	359.30	5.35	-60.69
CC1=CC=NC(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020229504	1	43	-1.0	-66.06	359.24	5.33	-60.73
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC=CC(C)=N2)=C1)C1=NN=N[N-]1	REAL300020229505	0	46	-1.0	-54.47	403.11	5.27	-49.20
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC=CC(C)=N2)=C1)C1=N[N-]N=N1	REAL300020229505	1	46	-1.0	-54.50	403.05	5.25	-49.25
CC1=CC=NC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020229506	0	43	-1.0	-52.17	360.67	5.39	-46.78
CC1=CC=NC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020229506	1	43	-1.0	-52.15	360.59	5.38	-46.77
CC1=CC=NC(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020229507	0	49	-1.0	-48.22	389.29	6.43	-41.79
CC1=CC=NC(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020229507	1	49	-1.0	-48.24	389.24	6.40	-41.84
CC1=CC=C(SCC(F)(F)F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229508	0	42	-1.0	-55.46	368.53	6.50	-48.96
CC1=CC=C(SCC(F)(F)F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229508	1	42	-1.0	-55.46	368.59	6.51	-48.95
CC1=CC=C(SCC(F)(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229509	0	42	-1.0	-44.51	369.03	6.52	-37.99
CC1=CC=C(SCC(F)(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229509	1	42	-1.0	-44.52	369.10	6.53	-37.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Br)C(F)=C1	REAL300020229510	0	35	-1.0	-56.66	330.25	5.40	-51.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Br)C(F)=C1	REAL300020229510	1	35	-1.0	-56.65	330.31	5.42	-51.23
O=C(NC1=CC=C(Br)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229511	0	35	-1.0	-40.87	311.05	4.95	-35.92
O=C(NC1=CC=C(Br)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229511	1	35	-1.0	-40.87	311.11	4.97	-35.90
O=C(NC1=CC=C(Br)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229512	0	32	-1.0	-56.60	295.50	4.06	-52.54
O=C(NC1=CC=C(Br)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229512	1	32	-1.0	-56.63	295.56	4.07	-52.56
CSCC[C@H](NC(=O)NC1=CC=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL300020229513	0	35	-1.0	-43.06	339.02	4.02	-39.04
CSCC[C@H](NC(=O)NC1=CC=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL300020229513	1	35	-1.0	-43.03	339.07	4.03	-39.00
O=C(NC1=CC=C(Br)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229514	0	32	-1.0	-45.46	296.88	4.12	-41.34
O=C(NC1=CC=C(Br)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229514	1	32	-1.0	-45.45	296.95	4.12	-41.33
O=C(NC1=CC=C(Br)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229515	0	38	-1.0	-37.65	325.54	5.14	-32.51
O=C(NC1=CC=C(Br)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229515	1	38	-1.0	-37.62	325.59	5.16	-32.46
CON(C)C(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229516	0	46	-1.0	-49.60	389.90	4.94	-44.66
CON(C)C(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229516	1	46	-1.0	-49.65	389.84	4.92	-44.73
CON(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229517	0	46	-1.0	-44.86	371.27	4.44	-40.42
CON(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229517	1	46	-1.0	-44.87	371.33	4.46	-40.41
CON(C)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229518	0	43	-1.0	-54.55	355.75	3.51	-51.04
CON(C)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229518	1	43	-1.0	-54.49	355.80	3.52	-50.97
CON(C)C(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020229519	0	46	-1.0	-53.25	399.58	3.46	-49.79
CON(C)C(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020229519	1	46	-1.0	-53.24	399.64	3.47	-49.77
CON(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229520	0	43	-1.0	-45.17	357.55	3.53	-41.64
CON(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229520	1	43	-1.0	-45.22	357.63	3.54	-41.68
CON(C)C(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229521	0	49	-1.0	-51.74	378.25	5.18	-46.56
CON(C)C(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229521	1	49	-1.0	-51.74	378.31	5.19	-46.55
C[NH+](C)CCN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020229522	0	47	0.0	-71.65	384.61	5.70	-65.95
C[NH+](C)CCN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020229522	1	47	0.0	-71.62	384.56	5.68	-65.94
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020229523	0	47	0.0	-73.29	365.45	5.21	-68.08
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020229523	1	47	0.0	-73.34	365.40	5.20	-68.14
C[NH+](C)CCN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020229524	0	44	0.0	-79.65	349.97	4.29	-75.36
C[NH+](C)CCN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020229524	1	44	0.0	-79.66	349.92	4.28	-75.38
CSCC[C@H](NC(=O)NC1=NN(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020229525	0	47	0.0	-72.93	393.59	4.28	-68.65
CSCC[C@H](NC(=O)NC1=NN(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020229525	1	47	0.0	-72.91	393.53	4.26	-68.65
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020229526	0	44	0.0	-73.03	351.47	4.34	-68.69
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020229526	1	44	0.0	-72.99	351.40	4.33	-68.66
C[NH+](C)CCN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020229527	0	50	0.0	-71.83	373.41	6.11	-65.72
C[NH+](C)CCN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020229527	1	50	0.0	-71.80	373.37	6.10	-65.70
O=C(NC1=NOC(C2=CC=CC=C2)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229528	0	41	-1.0	-41.40	357.41	6.93	-34.47
O=C(NC1=NOC(C2=CC=CC=C2)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229528	1	41	-1.0	-41.38	357.35	6.91	-34.47
O=C(NC1=NOC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229529	0	41	-1.0	-43.04	338.19	6.44	-36.60
O=C(NC1=NOC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229529	1	41	-1.0	-43.01	338.13	6.43	-36.58
O=C(NC1=NOC(C2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229530	0	38	-1.0	-51.31	322.78	5.54	-45.77
O=C(NC1=NOC(C2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229530	1	38	-1.0	-51.34	322.72	5.51	-45.83
CSCC[C@H](NC(=O)NC1=NOC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020229531	0	41	-1.0	-45.10	366.39	5.51	-39.59
CSCC[C@H](NC(=O)NC1=NOC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020229531	1	41	-1.0	-45.06	366.33	5.49	-39.57
O=C(NC1=NOC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229532	0	38	-1.0	-41.90	324.26	5.59	-36.31
O=C(NC1=NOC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229532	1	38	-1.0	-41.91	324.19	5.58	-36.33
O=C(NC1=NOC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229533	0	44	-1.0	-48.25	346.38	7.32	-40.93
O=C(NC1=NOC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229533	1	44	-1.0	-48.27	346.34	7.31	-40.96
O=C(NC1=CN(C2=NC=CC=N2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229534	0	40	-1.0	-49.83	354.00	5.69	-44.14
O=C(NC1=CN(C2=NC=CC=N2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229534	1	40	-1.0	-49.80	353.94	5.67	-44.13
O=C(NC1=CN(C2=NC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229535	0	40	-1.0	-51.57	334.85	5.23	-46.34
O=C(NC1=CN(C2=NC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229535	1	40	-1.0	-51.50	334.79	5.21	-46.29
O=C(NC1=CN(C2=NC=CC=N2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229536	0	37	-1.0	-61.80	319.37	4.32	-57.48
O=C(NC1=CN(C2=NC=CC=N2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229536	1	37	-1.0	-61.80	319.31	4.30	-57.50
CSCC[C@H](NC(=O)NC1=CN(C2=NC=CC=N2)N=C1)C1=NN=N[N-]1	REAL300020229537	0	40	-1.0	-54.75	362.98	4.28	-50.47
CSCC[C@H](NC(=O)NC1=CN(C2=NC=CC=N2)N=C1)C1=N[N-]N=N1	REAL300020229537	1	40	-1.0	-54.74	362.92	4.26	-50.48
O=C(NC1=CN(C2=NC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229538	0	37	-1.0	-51.53	320.86	4.35	-47.18
O=C(NC1=CN(C2=NC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229538	1	37	-1.0	-51.52	320.78	4.35	-47.17
O=C(NC1=CN(C2=NC=CC=N2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229539	0	43	-1.0	-58.81	342.82	6.11	-52.70
O=C(NC1=CN(C2=NC=CC=N2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229539	1	43	-1.0	-58.80	342.76	6.10	-52.70
CC(C)(C)S(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229540	0	52	-1.0	-55.22	416.10	5.54	-49.68
CC(C)(C)S(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229540	1	52	-1.0	-55.27	416.16	5.56	-49.71
CC(C)(C)S(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229541	0	49	-1.0	-66.61	400.39	4.64	-61.97
CC(C)(C)S(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229541	1	49	-1.0	-66.62	400.45	4.65	-61.97
CC(C)(C)S(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229542	0	49	-1.0	-53.30	401.77	4.68	-48.62
CC(C)(C)S(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229542	1	49	-1.0	-53.31	401.85	4.70	-48.61
O=C(NC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229543	0	46	-1.0	-61.77	396.49	7.20	-54.57
O=C(NC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229543	1	46	-1.0	-61.82	396.55	7.22	-54.60
O=C(NC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229544	0	46	-1.0	-49.04	398.14	7.23	-41.81
O=C(NC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229544	1	46	-1.0	-49.03	398.22	7.23	-41.80
COC(=O)NCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229545	0	46	-1.0	-57.50	396.33	3.19	-54.31
COC(=O)NCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229545	1	46	-1.0	-57.48	396.27	3.16	-54.32
COC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229546	0	46	-1.0	-47.02	377.28	2.71	-44.31
COC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229546	1	46	-1.0	-47.04	377.34	2.73	-44.31
COC(=O)NCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229547	0	43	-1.0	-55.97	361.77	1.80	-54.17
COC(=O)NCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229547	1	43	-1.0	-55.95	361.83	1.81	-54.14
COC(=O)NCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020229548	0	46	-1.0	-51.38	405.30	1.75	-49.63
COC(=O)NCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020229548	1	46	-1.0	-51.39	405.36	1.76	-49.63
COC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229549	0	43	-1.0	-47.39	362.89	1.88	-45.51
COC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229549	1	43	-1.0	-47.39	362.96	1.89	-45.50
COC(=O)NCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229550	0	49	-1.0	-50.32	385.06	3.64	-46.68
COC(=O)NCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229550	1	49	-1.0	-50.31	385.11	3.64	-46.67
CC(OC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020229551	0	52	-1.0	-44.18	409.45	8.32	-35.86
CC(OC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020229551	1	52	-1.0	-44.26	409.51	8.34	-35.92
CC(OC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020229552	0	49	-1.0	-55.83	396.55	7.43	-48.40
CC(OC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020229552	1	49	-1.0	-55.90	396.61	7.46	-48.44
CC(OC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020229553	0	49	-1.0	-44.62	397.37	7.52	-37.10
CC(OC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020229553	1	49	-1.0	-44.61	397.45	7.53	-37.08
O=C(NC1=CC=C(OC2CCCCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229554	0	52	-1.0	-42.07	414.21	7.49	-34.58
O=C(NC1=CC=C(OC2CCCCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229554	1	52	-1.0	-42.03	414.27	7.52	-34.51
O=C(NC1=CC=C(OC2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229555	0	52	-1.0	-43.75	396.15	7.10	-36.65
O=C(NC1=CC=C(OC2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229555	1	52	-1.0	-43.79	396.21	7.12	-36.67
O=C(NC1=CC=C(OC2CCCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229556	0	49	-1.0	-53.32	379.72	6.11	-47.21
O=C(NC1=CC=C(OC2CCCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229556	1	49	-1.0	-53.35	379.78	6.13	-47.22
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300020229557	0	52	-1.0	-47.85	423.02	6.12	-41.73
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300020229557	1	52	-1.0	-47.90	423.08	6.13	-41.77
O=C(NC1=CC=C(OC2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229558	0	49	-1.0	-43.93	381.09	6.16	-37.77
O=C(NC1=CC=C(OC2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229558	1	49	-1.0	-43.94	381.17	6.18	-37.76
O=C(NC1=CC=C(OC2CCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229559	0	55	-1.0	-49.98	403.17	7.95	-42.03
O=C(NC1=CC=C(OC2CCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229559	1	55	-1.0	-49.95	403.22	7.96	-41.99
NC(=O)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229560	0	46	-1.0	-56.53	392.16	1.87	-54.66
NC(=O)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229560	1	46	-1.0	-56.56	392.21	1.89	-54.67
NC(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229561	0	46	-1.0	-51.47	371.65	1.40	-50.07
NC(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229561	1	46	-1.0	-51.53	371.71	1.42	-50.11
NC(=O)CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229562	0	43	-1.0	-59.47	357.52	0.49	-58.98
NC(=O)CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229562	1	43	-1.0	-59.51	357.58	0.51	-59.00
CSCC[C@H](NC(=O)NC1=CC=C(OCCC(N)=O)C=C1)C1=N[N-]N=N1	REAL300020229563	0	46	-1.0	-57.38	401.34	0.41	-56.97
CSCC[C@H](NC(=O)NC1=CC=C(OCCC(N)=O)C=C1)C1=NN=N[N-]1	REAL300020229563	1	46	-1.0	-57.41	401.40	0.43	-56.98
NC(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229564	0	43	-1.0	-51.58	359.22	0.53	-51.05
NC(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229564	1	43	-1.0	-51.53	359.30	0.54	-50.99
NC(=O)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229565	0	49	-1.0	-57.30	381.10	2.29	-55.01
NC(=O)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229565	1	49	-1.0	-57.32	381.15	2.29	-55.03
O=C(NC1=CC=CC(CS(=O)C2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229566	0	47	-1.0	-64.63	402.38	5.89	-58.74
O=C(NC1=CC=CC(CS(=O)C2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229566	1	47	-1.0	-64.67	402.44	5.91	-58.76
O=C(NC1=CC=CC(CS(=O)C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229567	0	47	-1.0	-66.51	403.71	5.94	-60.57
O=C(NC1=CC=CC(CS(=O)C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229567	1	47	-1.0	-66.55	403.79	5.96	-60.59
CCC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020229568	0	41	-1.0	-43.47	346.80	4.82	-38.65
CCC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020229568	1	41	-1.0	-43.46	346.74	4.79	-38.67
CCC1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229569	0	41	-1.0	-44.86	327.56	4.33	-40.53
CCC1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229569	1	41	-1.0	-44.89	327.61	4.35	-40.54
CCC1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020229570	0	41	-1.0	-47.76	355.72	3.38	-44.38
CCC1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020229570	1	41	-1.0	-47.74	355.77	3.40	-44.34
CCC1=NN(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229571	0	44	-1.0	-51.27	335.55	5.20	-46.07
CCC1=NN(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229571	1	44	-1.0	-51.32	335.58	5.21	-46.11
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N1C(=O)CCC1=O	REAL300020229572	0	48	-1.0	-54.27	390.25	5.91	-48.36
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N1C(=O)CCC1=O	REAL300020229572	1	48	-1.0	-54.30	390.31	5.93	-48.37
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N1C(=O)CCC1=O	REAL300020229573	0	45	-1.0	-67.37	374.64	5.02	-62.35
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N1C(=O)CCC1=O	REAL300020229573	1	45	-1.0	-67.35	374.70	5.04	-62.31
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1C(=O)CCC1=O	REAL300020229574	0	45	-1.0	-54.80	376.17	5.07	-49.73
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1C(=O)CCC1=O	REAL300020229574	1	45	-1.0	-54.82	376.25	5.09	-49.73
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1C(=O)CCC1=O	REAL300020229575	0	51	-1.0	-54.11	402.54	6.10	-48.01
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1C(=O)CCC1=O	REAL300020229575	1	51	-1.0	-54.13	402.57	6.12	-48.01
CC(C)OC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229576	0	52	-1.0	-46.85	419.38	4.34	-42.51
CC(C)OC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229576	1	52	-1.0	-46.86	419.44	4.36	-42.50
CC(C)OC(=O)NCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229577	0	49	-1.0	-55.95	403.88	3.43	-52.52
CC(C)OC(=O)NCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229577	1	49	-1.0	-55.94	403.94	3.44	-52.50
CC(C)OC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229578	0	49	-1.0	-47.21	404.99	3.52	-43.69
CC(C)OC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229578	1	49	-1.0	-47.25	405.06	3.52	-43.73
O=C(NC1=CC=C2N=C(C3=CC=C(F)C=C3)OC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229579	0	44	-1.0	-54.05	377.64	4.26	-49.79
O=C(NC1=CC=C2N=C(C3=CC=C(F)C=C3)OC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229579	1	44	-1.0	-54.06	377.58	4.24	-49.82
O=C(NC1=CC=C2N=C(C3=CC=C(F)C=C3)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229580	0	44	-1.0	-44.63	379.05	4.30	-40.33
O=C(NC1=CC=C2N=C(C3=CC=C(F)C=C3)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229580	1	44	-1.0	-44.62	378.97	4.28	-40.34
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020229581	0	41	-1.0	-53.85	369.96	5.85	-48.00
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020229581	1	41	-1.0	-53.86	370.02	5.88	-47.98
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020229582	0	41	-1.0	-43.80	351.26	5.33	-38.47
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020229582	1	41	-1.0	-43.80	351.32	5.35	-38.45
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020229583	0	38	-1.0	-50.91	336.02	4.41	-46.50
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020229583	1	38	-1.0	-50.95	336.08	4.43	-46.52
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020229584	0	41	-1.0	-45.14	379.21	4.41	-40.73
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020229584	1	41	-1.0	-45.14	379.26	4.42	-40.72
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020229585	0	38	-1.0	-48.48	337.37	4.48	-44.00
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020229585	1	38	-1.0	-48.50	337.45	4.48	-44.02
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020229586	0	44	-1.0	-40.21	365.68	5.54	-34.67
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020229586	1	44	-1.0	-40.23	365.73	5.54	-34.69
O=C(NC1=CC=CC(CSC2CCCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229587	0	52	-1.0	-52.29	416.29	8.69	-43.60
O=C(NC1=CC=CC(CSC2CCCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229587	1	52	-1.0	-52.25	416.35	8.71	-43.54
O=C(NC1=CC=CC(CSC2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229588	0	52	-1.0	-43.52	417.61	8.75	-34.77
O=C(NC1=CC=CC(CSC2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229588	1	52	-1.0	-43.58	417.69	8.75	-34.83
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229589	0	47	-1.0	-54.73	379.50	3.24	-51.49
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229589	1	47	-1.0	-54.78	379.56	3.25	-51.53
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229590	0	44	-1.0	-68.36	364.94	2.49	-65.87
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229590	1	44	-1.0	-68.36	365.00	2.50	-65.86
CSCC[C@H](NC(=O)NC1=CC=CC(CS(C)(=O)=O)=C1C)C1=N[N-]N=N1	REAL300020229591	0	47	-1.0	-56.15	408.39	2.32	-53.83
CSCC[C@H](NC(=O)NC1=CC=CC(CS(C)(=O)=O)=C1C)C1=NN=N[N-]1	REAL300020229591	1	47	-1.0	-56.16	408.45	2.33	-53.83
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229592	0	44	-1.0	-57.03	366.33	2.54	-54.49
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229592	1	44	-1.0	-57.00	366.40	2.54	-54.46
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229593	0	50	-1.0	-66.81	388.50	4.14	-62.67
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229593	1	50	-1.0	-66.83	388.56	4.14	-62.69
O=C(NC1=CC=CC(CSCC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229594	0	49	-1.0	-53.90	416.30	9.17	-44.73
O=C(NC1=CC=CC(CSCC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229594	1	49	-1.0	-53.89	416.36	9.19	-44.70
O=C(NC1=CC=CC(CSCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229595	0	49	-1.0	-47.06	417.63	9.22	-37.84
O=C(NC1=CC=CC(CSCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229595	1	49	-1.0	-47.04	417.71	9.24	-37.80
COCCS(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229596	0	50	-1.0	-63.90	414.98	3.50	-60.40
COCCS(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229596	1	50	-1.0	-63.89	415.04	3.52	-60.37
COCCS(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229597	0	47	-1.0	-63.68	399.59	2.58	-61.10
COCCS(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229597	1	47	-1.0	-63.73	399.65	2.59	-61.14
COCCS(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229598	0	47	-1.0	-54.63	400.64	2.65	-51.98
COCCS(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229598	1	47	-1.0	-54.64	400.71	2.66	-51.98
CC1=CC=C(COC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C=C1	REAL300020229599	0	52	-1.0	-44.86	415.58	8.29	-36.57
CC1=CC=C(COC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C=C1	REAL300020229599	1	52	-1.0	-44.85	415.64	8.31	-36.54
CC1=CC=C(COC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=C1	REAL300020229600	0	49	-1.0	-63.13	401.17	7.36	-55.77
CC1=CC=C(COC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=C1	REAL300020229600	1	49	-1.0	-63.17	401.23	7.37	-55.80
CC1=CC=C(COC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020229601	0	49	-1.0	-49.22	402.53	7.41	-41.81
CC1=CC=C(COC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020229601	1	49	-1.0	-49.26	402.60	7.42	-41.84
COC(=O)N(C)CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229602	0	49	-1.0	-64.98	415.21	5.73	-59.25
COC(=O)N(C)CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229602	1	49	-1.0	-65.05	415.27	5.75	-59.30
COC(=O)N(C)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229603	0	49	-1.0	-52.55	396.22	5.27	-47.28
COC(=O)N(C)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229603	1	49	-1.0	-52.53	396.28	5.29	-47.24
COC(=O)N(C)CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229604	0	46	-1.0	-61.96	380.69	4.36	-57.60
COC(=O)N(C)CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229604	1	46	-1.0	-61.97	380.75	4.37	-57.60
COC(=O)N(C)CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020229605	0	49	-1.0	-59.42	423.97	4.32	-55.10
COC(=O)N(C)CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020229605	1	49	-1.0	-59.41	424.03	4.34	-55.07
COC(=O)N(C)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229606	0	46	-1.0	-52.89	381.83	4.45	-48.44
COC(=O)N(C)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229606	1	46	-1.0	-52.90	381.90	4.45	-48.45
COC(=O)N(C)CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229607	0	52	-1.0	-52.19	404.00	6.20	-45.99
COC(=O)N(C)CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229607	1	52	-1.0	-52.23	404.05	6.20	-46.03
O=C(NC1=CC=C(Cl)C=C1OCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020229608	0	39	-1.0	-51.45	354.66	4.71	-46.74
O=C(NC1=CC=C(Cl)C=C1OCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020229608	1	39	-1.0	-51.47	354.72	4.74	-46.73
O=C(NC1=CC=C(Cl)C=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020229609	0	39	-1.0	-42.69	356.04	4.77	-37.92
O=C(NC1=CC=C(Cl)C=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020229609	1	39	-1.0	-42.73	356.12	4.78	-37.95
CCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229610	0	49	-1.0	-51.43	403.52	2.56	-48.87
CCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229610	1	49	-1.0	-51.46	403.58	2.57	-48.89
CCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229611	0	46	-1.0	-56.61	385.18	1.77	-54.84
CCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229611	1	46	-1.0	-56.56	385.24	1.78	-54.78
CCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229612	0	46	-1.0	-51.22	386.75	1.81	-49.41
CCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229612	1	46	-1.0	-51.26	386.83	1.83	-49.43
O=C(NC1=CC=C(F)C=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229613	0	42	-1.0	-42.86	360.47	5.16	-37.70
O=C(NC1=CC=C(F)C=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229613	1	42	-1.0	-42.89	360.53	5.18	-37.71
O=C(NC1=CC=C(F)C=C1OCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020229614	0	39	-1.0	-51.97	345.15	4.25	-47.72
O=C(NC1=CC=C(F)C=C1OCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020229614	1	39	-1.0	-51.94	345.21	4.27	-47.67
O=C(NC1=CC=C(F)C=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020229615	0	39	-1.0	-42.89	345.73	4.32	-38.57
O=C(NC1=CC=C(F)C=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020229615	1	39	-1.0	-42.87	345.81	4.33	-38.54
CCSC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020229616	0	42	-1.0	-59.38	364.98	6.62	-52.76
CCSC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020229616	1	42	-1.0	-59.43	364.92	6.59	-52.84
CCSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229617	0	42	-1.0	-43.38	344.57	6.19	-37.19
CCSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229617	1	42	-1.0	-43.38	344.63	6.21	-37.17
CCSC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229618	0	39	-1.0	-61.25	330.17	5.26	-55.99
CCSC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229618	1	39	-1.0	-61.25	330.23	5.27	-55.98
CCSC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020229619	0	42	-1.0	-46.14	373.70	5.24	-40.90
CCSC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020229619	1	42	-1.0	-46.20	373.76	5.25	-40.95
CCSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229620	0	39	-1.0	-48.12	331.81	5.28	-42.84
CCSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229620	1	39	-1.0	-48.16	331.89	5.30	-42.86
CCSC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229621	0	45	-1.0	-48.60	353.83	7.04	-41.56
CCSC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229621	1	45	-1.0	-48.63	353.88	7.05	-41.58
CC(C)(C)OC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229622	0	48	-1.0	-42.12	381.65	6.07	-36.05
CC(C)(C)OC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229622	1	48	-1.0	-42.11	381.59	6.05	-36.06
CC(C)(C)OC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229623	0	48	-1.0	-43.57	362.55	5.57	-38.00
CC(C)(C)OC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229623	1	48	-1.0	-43.54	362.61	5.59	-37.95
CC(C)(C)OC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229624	0	45	-1.0	-55.50	348.76	4.65	-50.85
CC(C)(C)OC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229624	1	45	-1.0	-55.52	348.82	4.68	-50.84
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC(C)(C)C)C1=N[N-]N=N1	REAL300020229625	0	48	-1.0	-47.71	390.30	4.63	-43.08
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC(C)(C)C)C1=NN=N[N-]1	REAL300020229625	1	48	-1.0	-47.73	390.36	4.64	-43.09
CC(C)(C)OC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229626	0	45	-1.0	-44.01	349.29	4.73	-39.28
CC(C)(C)OC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229626	1	45	-1.0	-44.03	349.36	4.74	-39.29
CC(C)(C)OC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229627	0	51	-1.0	-51.22	371.69	6.57	-44.65
CC(C)(C)OC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229627	1	51	-1.0	-51.21	371.74	6.59	-44.62
O=C(NC1=CN(CC2CCCO2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229628	0	46	-1.0	-47.88	383.66	3.65	-44.23
O=C(NC1=CN(CC2CCCO2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229628	1	46	-1.0	-47.88	383.60	3.63	-44.25
O=C(NC1=CN(CC2CCCO2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229629	0	46	-1.0	-49.32	364.47	3.17	-46.15
O=C(NC1=CN(CC2CCCO2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229629	1	46	-1.0	-49.33	364.41	3.15	-46.18
O=C(NC1=CN(CC2CCCO2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229630	0	43	-1.0	-62.00	349.03	2.28	-59.72
O=C(NC1=CN(CC2CCCO2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229630	1	43	-1.0	-61.98	348.97	2.25	-59.73
CSCC[C@H](NC(=O)NC1=CN(CC2CCCO2)N=C1)C1=NN=N[N-]1	REAL300020229631	0	46	-1.0	-53.29	392.64	2.24	-51.05
CSCC[C@H](NC(=O)NC1=CN(CC2CCCO2)N=C1)C1=N[N-]N=N1	REAL300020229631	1	46	-1.0	-53.25	392.59	2.22	-51.03
O=C(NC1=CN(CC2CCCO2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229632	0	43	-1.0	-50.33	350.53	2.31	-48.02
O=C(NC1=CN(CC2CCCO2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229632	1	43	-1.0	-50.28	350.46	2.30	-47.98
O=C(NC1=CN(CC2CCCO2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229633	0	49	-1.0	-58.66	372.44	4.07	-54.59
O=C(NC1=CN(CC2CCCO2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229633	1	49	-1.0	-58.65	372.41	4.06	-54.59
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229634	0	44	-1.0	-49.22	381.43	4.60	-44.62
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229634	1	44	-1.0	-49.24	381.37	4.58	-44.66
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229635	0	44	-1.0	-50.29	362.18	4.13	-46.16
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229635	1	44	-1.0	-50.29	362.24	4.14	-46.15
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229636	0	41	-1.0	-63.11	346.72	3.20	-59.91
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229636	1	41	-1.0	-63.10	346.78	3.22	-59.88
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL300020229637	0	44	-1.0	-54.55	390.34	3.17	-51.38
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL300020229637	1	44	-1.0	-54.58	390.40	3.19	-51.39
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229638	0	41	-1.0	-51.46	348.21	3.26	-48.20
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229638	1	41	-1.0	-51.47	348.29	3.26	-48.21
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229639	0	47	-1.0	-59.36	370.19	5.01	-54.35
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229639	1	47	-1.0	-59.35	370.23	5.02	-54.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCC(=O)NC2=C1	REAL300020229640	0	43	-1.0	-61.58	363.01	3.99	-57.59
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCC(=O)NC2=C1	REAL300020229640	1	43	-1.0	-61.57	362.96	3.96	-57.61
O=C(NC1=CC=C2CCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229641	0	43	-1.0	-46.08	344.01	3.45	-42.63
O=C(NC1=CC=C2CCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229641	1	43	-1.0	-46.09	344.07	3.47	-42.62
O=C(NC1=CC=C2CCC(=O)NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229642	0	40	-1.0	-62.59	328.34	2.59	-60.00
O=C(NC1=CC=C2CCC(=O)NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229642	1	40	-1.0	-62.60	328.40	2.61	-59.99
CSCC[C@H](NC(=O)NC1=CC=C2CCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020229643	0	43	-1.0	-54.88	371.85	2.55	-52.33
CSCC[C@H](NC(=O)NC1=CC=C2CCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020229643	1	43	-1.0	-54.88	371.91	2.56	-52.32
O=C(NC1=CC=C2CCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229644	0	40	-1.0	-50.11	330.01	2.62	-47.49
O=C(NC1=CC=C2CCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229644	1	40	-1.0	-50.07	330.08	2.62	-47.45
O=C(NC1=CC=C2CCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229645	0	46	-1.0	-42.65	356.34	3.62	-39.03
O=C(NC1=CC=C2CCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229645	1	46	-1.0	-42.65	356.38	3.64	-39.01
O=C(NC1=CN(C2=CC=CC(C(F)(F)F)=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229646	0	42	-1.0	-61.15	365.82	5.59	-55.56
O=C(NC1=CN(C2=CC=CC(C(F)(F)F)=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229646	1	42	-1.0	-61.17	365.76	5.57	-55.60
O=C(NC1=CN(C2=CC=CC(C(F)(F)F)=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229647	0	42	-1.0	-50.65	367.31	5.63	-45.02
O=C(NC1=CN(C2=CC=CC(C(F)(F)F)=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229647	1	42	-1.0	-50.63	367.24	5.62	-45.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1CC(F)(F)F	REAL300020229648	0	41	-1.0	-51.48	357.88	7.01	-44.47
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1CC(F)(F)F	REAL300020229648	1	41	-1.0	-51.50	357.82	6.99	-44.51
O=C(NC1=CC=CC=C1CC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229649	0	41	-1.0	-45.22	338.97	6.55	-38.67
O=C(NC1=CC=CC=C1CC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229649	1	41	-1.0	-45.21	339.02	6.56	-38.65
O=C(NC1=CC=CC=C1CC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020229650	0	38	-1.0	-56.52	324.41	5.63	-50.89
O=C(NC1=CC=CC=C1CC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020229650	1	38	-1.0	-56.56	324.47	5.65	-50.91
CSCC[C@H](NC(=O)NC1=CC=CC=C1CC(F)(F)F)C1=N[N-]N=N1	REAL300020229651	0	41	-1.0	-48.81	367.12	5.58	-43.23
CSCC[C@H](NC(=O)NC1=CC=CC=C1CC(F)(F)F)C1=NN=N[N-]1	REAL300020229651	1	41	-1.0	-48.84	367.17	5.59	-43.25
O=C(NC1=CC=CC=C1CC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020229652	0	38	-1.0	-46.60	325.79	5.69	-40.91
O=C(NC1=CC=CC=C1CC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020229652	1	38	-1.0	-46.63	325.86	5.70	-40.93
O=C(NC1=CC=CC=C1CC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020229653	0	44	-1.0	-48.48	346.04	7.37	-41.11
O=C(NC1=CC=CC=C1CC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020229653	1	44	-1.0	-48.42	346.09	7.38	-41.04
COC(=O)C1=NNC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020229654	0	44	-1.0	-65.88	384.96	4.15	-61.73
COC(=O)C1=NNC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020229654	1	44	-1.0	-65.83	384.90	4.12	-61.71
COC(=O)C1=NNC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020229655	0	44	-1.0	-45.85	365.84	3.63	-42.22
COC(=O)C1=NNC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020229655	1	44	-1.0	-45.90	365.89	3.65	-42.25
COC(=O)C1=NNC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020229656	0	41	-1.0	-66.28	350.55	2.71	-63.57
COC(=O)C1=NNC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020229656	1	41	-1.0	-66.31	350.61	2.72	-63.59
COC(=O)C1=NNC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C21	REAL300020229657	0	44	-1.0	-65.43	394.08	2.68	-62.75
COC(=O)C1=NNC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C21	REAL300020229657	1	44	-1.0	-65.38	394.14	2.69	-62.69
COC(=O)C1=NNC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020229658	0	41	-1.0	-57.62	351.92	2.78	-54.84
COC(=O)C1=NNC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020229658	1	41	-1.0	-57.64	352.00	2.78	-54.86
COC(=O)C1=NNC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020229659	0	47	-1.0	-49.29	378.25	3.79	-45.50
COC(=O)C1=NNC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020229659	1	47	-1.0	-49.25	378.29	3.80	-45.45
CNC(=O)CN1C=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020229660	0	49	-1.0	-55.83	398.31	4.70	-51.13
CNC(=O)CN1C=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020229660	1	49	-1.0	-55.85	398.37	4.71	-51.14
CNC(=O)CN1C=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020229661	0	46	-1.0	-67.80	382.73	3.83	-63.97
CNC(=O)CN1C=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020229661	1	46	-1.0	-67.83	382.79	3.85	-63.98
CNC(=O)CN1C=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020229662	0	46	-1.0	-54.92	384.13	3.86	-51.06
CNC(=O)CN1C=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020229662	1	46	-1.0	-54.95	384.20	3.87	-51.08
CNC(=O)CN1C=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020229663	0	52	-1.0	-53.29	410.75	4.87	-48.42
CNC(=O)CN1C=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020229663	1	52	-1.0	-53.28	410.78	4.87	-48.41
O=C(NC1=CC=C(OC2=CC=CC=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229664	0	45	-1.0	-58.91	390.17	5.08	-53.83
O=C(NC1=CC=C(OC2=CC=CC=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229664	1	45	-1.0	-58.89	390.11	5.06	-53.83
O=C(NC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229665	0	45	-1.0	-47.73	370.05	4.64	-43.09
O=C(NC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229665	1	45	-1.0	-47.75	369.99	4.63	-43.12
O=C(NC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229666	0	42	-1.0	-57.76	354.91	3.79	-53.97
O=C(NC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229666	1	42	-1.0	-57.71	354.85	3.78	-53.93
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020229667	0	45	-1.0	-52.32	398.59	3.76	-48.56
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020229667	1	45	-1.0	-52.32	398.54	3.74	-48.58
O=C(NC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229668	0	42	-1.0	-48.06	356.47	3.84	-44.22
O=C(NC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229668	1	42	-1.0	-48.04	356.40	3.84	-44.20
O=C(NC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229669	0	48	-1.0	-54.19	379.03	5.52	-48.67
O=C(NC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229669	1	48	-1.0	-54.16	378.98	5.51	-48.65
O=C(NC1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229670	0	47	-1.0	-48.12	392.89	2.16	-45.96
O=C(NC1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229670	1	47	-1.0	-48.07	392.95	2.17	-45.90
O=C(NC1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229671	0	44	-1.0	-59.86	377.52	1.23	-58.63
O=C(NC1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229671	1	44	-1.0	-59.87	377.58	1.24	-58.63
O=C(NC1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229672	0	44	-1.0	-49.48	379.11	1.27	-48.21
O=C(NC1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229672	1	44	-1.0	-49.45	379.18	1.27	-48.18
CCCNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229673	0	49	-1.0	-48.51	403.38	2.07	-46.44
CCCNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229673	1	49	-1.0	-48.55	403.44	2.09	-46.46
CCCNS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229674	0	46	-1.0	-58.25	387.87	1.15	-57.10
CCCNS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229674	1	46	-1.0	-58.30	387.93	1.17	-57.13
CCCNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229675	0	46	-1.0	-49.08	389.00	1.24	-47.84
CCCNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229675	1	46	-1.0	-49.08	389.07	1.25	-47.83
COCCNS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229676	0	47	-1.0	-59.76	399.74	-0.52	-60.28
COCCNS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229676	1	47	-1.0	-59.81	399.80	-0.51	-60.32
COCCNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229677	0	47	-1.0	-50.63	400.86	-0.43	-51.06
COCCNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229677	1	47	-1.0	-50.67	400.93	-0.43	-51.10
CCNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229678	0	46	-1.0	-48.80	381.89	1.31	-47.49
CCNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229678	1	46	-1.0	-48.84	381.95	1.32	-47.52
CCNS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229679	0	43	-1.0	-58.54	366.37	0.39	-58.15
CCNS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229679	1	43	-1.0	-58.56	366.43	0.39	-58.17
CCNS(=O)(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020229680	0	46	-1.0	-52.94	409.90	0.35	-52.59
CCNS(=O)(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020229680	1	46	-1.0	-52.94	409.96	0.36	-52.58
CCNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229681	0	43	-1.0	-49.30	367.50	0.48	-48.82
CCNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229681	1	43	-1.0	-49.38	367.57	0.48	-48.90
CCNS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229682	0	49	-1.0	-50.18	389.67	2.23	-47.95
CCNS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229682	1	49	-1.0	-50.19	389.72	2.23	-47.96
O=C(NC1=CC=C(S(=O)(=O)NCC2CC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229683	0	47	-1.0	-58.77	397.57	1.98	-56.79
O=C(NC1=CC=C(S(=O)(=O)NCC2CC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229683	1	47	-1.0	-58.79	397.63	1.99	-56.80
O=C(NC1=CC=C(S(=O)(=O)NCC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229684	0	47	-1.0	-48.03	398.98	2.03	-46.00
O=C(NC1=CC=C(S(=O)(=O)NCC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229684	1	47	-1.0	-47.97	399.05	2.04	-45.93
COC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)C=C1	REAL300020229685	0	49	-1.0	-45.48	400.01	3.97	-41.51
COC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)C=C1	REAL300020229685	1	49	-1.0	-45.42	399.96	3.95	-41.47
COC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)C=C1	REAL300020229686	0	46	-1.0	-53.81	383.82	3.09	-50.72
COC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)C=C1	REAL300020229686	1	46	-1.0	-53.79	383.76	3.08	-50.71
COC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020229687	0	46	-1.0	-45.19	385.21	3.15	-42.04
COC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C=C1	REAL300020229687	1	46	-1.0	-45.19	385.13	3.13	-42.06
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)N=N1	REAL300020229688	0	47	-1.0	-51.84	386.95	3.95	-47.89
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)N=N1	REAL300020229688	1	47	-1.0	-51.92	387.01	3.97	-47.95
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)N=N1	REAL300020229689	0	44	-1.0	-64.18	371.65	3.05	-61.13
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)N=N1	REAL300020229689	1	44	-1.0	-64.19	371.71	3.06	-61.13
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)N=N1	REAL300020229690	0	44	-1.0	-51.55	372.69	3.12	-48.43
CC1=CC=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)N=N1	REAL300020229690	1	44	-1.0	-51.57	372.77	3.13	-48.44
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)N=N1	REAL300020229691	0	50	-1.0	-60.18	395.57	4.80	-55.38
CC1=CC=C(OC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)N=N1	REAL300020229691	1	50	-1.0	-60.20	395.61	4.81	-55.39
O=C(NC1=CC=NC(OC2=CC=CC=C2Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229692	0	45	-1.0	-45.56	386.00	5.11	-40.45
O=C(NC1=CC=NC(OC2=CC=CC=C2Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229692	1	45	-1.0	-45.52	385.94	5.10	-40.42
O=C(NC1=CC=NC(OC2=CC=CC=C2Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229693	0	42	-1.0	-59.78	370.61	4.19	-55.59
O=C(NC1=CC=NC(OC2=CC=CC=C2Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229693	1	42	-1.0	-59.84	370.55	4.17	-55.67
O=C(NC1=CC=NC(OC2=CC=CC=C2Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229694	0	42	-1.0	-50.92	371.94	4.24	-46.68
O=C(NC1=CC=NC(OC2=CC=CC=C2Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229694	1	42	-1.0	-50.92	371.87	4.22	-46.70
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)=C1C	REAL300020229695	0	51	-1.0	-45.32	407.55	5.78	-39.54
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)=C1C	REAL300020229695	1	51	-1.0	-45.31	407.49	5.77	-39.54
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)=C1C	REAL300020229696	0	48	-1.0	-55.00	391.95	4.93	-50.07
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)=C1C	REAL300020229696	1	48	-1.0	-55.02	391.89	4.92	-50.10
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)=C1C	REAL300020229697	0	48	-1.0	-44.92	393.53	4.97	-39.95
CC1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)=C1C	REAL300020229697	1	48	-1.0	-44.90	393.45	4.97	-39.93
CS(=O)(=O)CCN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020229698	0	44	-1.0	-51.59	390.30	1.93	-49.66
CS(=O)(=O)CCN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020229698	1	44	-1.0	-51.58	390.24	1.90	-49.68
CS(=O)(=O)CCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020229699	0	44	-1.0	-52.89	371.11	1.43	-51.46
CS(=O)(=O)CCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020229699	1	44	-1.0	-52.85	371.05	1.41	-51.44
CS(=O)(=O)CCN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020229700	0	41	-1.0	-62.55	355.66	0.54	-62.01
CS(=O)(=O)CCN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020229700	1	41	-1.0	-62.58	355.60	0.53	-62.05
CSCC[C@H](NC(=O)NC1=NN(CCS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020229701	0	44	-1.0	-55.01	399.28	0.50	-54.51
CSCC[C@H](NC(=O)NC1=NN(CCS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020229701	1	44	-1.0	-55.02	399.22	0.49	-54.53
CS(=O)(=O)CCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020229702	0	41	-1.0	-52.67	357.14	0.58	-52.09
CS(=O)(=O)CCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020229702	1	41	-1.0	-52.64	357.07	0.57	-52.07
CS(=O)(=O)CCN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020229703	0	47	-1.0	-58.28	379.07	2.33	-55.95
CS(=O)(=O)CCN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020229703	1	47	-1.0	-58.32	379.03	2.32	-56.00
O=C(NC1=CC=C(COCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229704	0	52	-1.0	-45.07	420.74	8.05	-37.02
O=C(NC1=CC=C(COCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229704	1	52	-1.0	-45.10	420.79	8.07	-37.03
O=C(NC1=CC=C(COCC2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229705	0	49	-1.0	-58.81	405.30	7.13	-51.68
O=C(NC1=CC=C(COCC2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229705	1	49	-1.0	-58.83	405.36	7.15	-51.68
O=C(NC1=CC=C(COCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229706	0	49	-1.0	-47.05	406.68	7.19	-39.86
O=C(NC1=CC=C(COCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229706	1	49	-1.0	-47.02	406.76	7.20	-39.82
CC1=NN(C(C)C)C(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229707	0	47	-1.0	-48.54	386.41	5.07	-43.47
CC1=NN(C(C)C)C(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229707	1	47	-1.0	-48.54	386.35	5.04	-43.50
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229708	0	47	-1.0	-45.93	367.68	4.55	-41.38
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229708	1	47	-1.0	-45.93	367.73	4.57	-41.36
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229709	0	44	-1.0	-59.09	359.47	3.81	-55.28
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229709	1	44	-1.0	-59.14	359.52	3.83	-55.31
CSCC[C@H](NC(=O)NC1=C(C)N(C(C)C)N=C1C)C1=N[N-]N=N1	REAL300020229710	0	47	-1.0	-49.99	397.54	3.54	-46.45
CSCC[C@H](NC(=O)NC1=C(C)N(C(C)C)N=C1C)C1=NN=N[N-]1	REAL300020229710	1	47	-1.0	-50.02	397.59	3.56	-46.46
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229711	0	44	-1.0	-47.94	352.68	3.64	-44.30
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229711	1	44	-1.0	-47.93	352.76	3.66	-44.27
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229712	0	50	-1.0	-42.09	380.96	5.80	-36.29
CC1=NN(C(C)C)C(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229712	1	50	-1.0	-42.10	381.24	5.93	-36.17
O=C(NC1=CC=C(OC2=CC=C(F)C=C2F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229713	0	42	-1.0	-54.25	367.97	3.83	-50.42
O=C(NC1=CC=C(OC2=CC=C(F)C=C2F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229713	1	42	-1.0	-54.23	367.91	3.81	-50.42
O=C(NC1=CC=C(OC2=CC=C(F)C=C2F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229714	0	42	-1.0	-45.31	369.91	3.87	-41.44
O=C(NC1=CC=C(OC2=CC=C(F)C=C2F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229714	1	42	-1.0	-45.28	369.84	3.87	-41.41
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1OC(C)C	REAL300020229715	0	48	-1.0	-53.92	392.52	6.39	-47.53
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1OC(C)C	REAL300020229715	1	48	-1.0	-53.89	392.46	6.36	-47.53
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC(C)C	REAL300020229716	0	48	-1.0	-43.83	373.76	5.90	-37.93
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC(C)C	REAL300020229716	1	48	-1.0	-43.83	373.82	5.91	-37.92
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020229717	0	45	-1.0	-53.70	358.57	5.03	-48.67
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020229717	1	45	-1.0	-53.69	358.63	5.05	-48.64
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300020229718	0	48	-1.0	-49.17	401.54	4.97	-44.20
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300020229718	1	48	-1.0	-49.19	401.60	4.98	-44.21
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300020229719	0	45	-1.0	-44.13	360.08	5.09	-39.04
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300020229719	1	45	-1.0	-44.15	360.16	5.10	-39.05
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020229720	0	51	-1.0	-42.33	383.39	6.00	-36.33
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020229720	1	51	-1.0	-42.32	383.44	6.00	-36.32
O=C(NC1=CC=C(OCC2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229721	0	53	-1.0	-46.06	409.87	5.48	-40.58
O=C(NC1=CC=C(OCC2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229721	1	53	-1.0	-46.07	409.92	5.50	-40.57
O=C(NC1=CC=C(OCC2CCOCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229722	0	50	-1.0	-54.96	394.44	4.56	-50.40
O=C(NC1=CC=C(OCC2CCOCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229722	1	50	-1.0	-54.91	394.50	4.58	-50.33
O=C(NC1=CC=C(OCC2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229723	0	50	-1.0	-45.06	395.86	4.62	-40.44
O=C(NC1=CC=C(OCC2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229723	1	50	-1.0	-45.00	395.94	4.62	-40.38
O=C(NC1=CC=CC=C1OCC1=CC=CC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229724	0	46	-1.0	-55.65	395.79	7.30	-48.35
O=C(NC1=CC=CC=C1OCC1=CC=CC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229724	1	46	-1.0	-55.64	395.85	7.31	-48.33
O=C(NC1=CC=CC=C1OCC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229725	0	46	-1.0	-45.06	396.36	7.36	-37.70
O=C(NC1=CC=CC=C1OCC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229725	1	46	-1.0	-45.05	396.44	7.36	-37.69
O=C(NC1=CC=CC(CSC2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229726	0	52	-1.0	-44.81	414.35	9.07	-35.74
O=C(NC1=CC=CC(CSC2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229726	1	52	-1.0	-44.80	414.41	9.08	-35.72
O=C(NC1=CC=CC(CSC2CCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229727	0	49	-1.0	-52.51	400.22	8.11	-44.40
O=C(NC1=CC=CC(CSC2CCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229727	1	49	-1.0	-52.47	400.28	8.13	-44.34
O=C(NC1=CC=CC(CSC2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229728	0	49	-1.0	-43.65	402.12	8.19	-35.46
O=C(NC1=CC=CC(CSC2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229728	1	49	-1.0	-43.65	402.19	8.19	-35.46
CCCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229729	0	49	-1.0	-56.54	406.68	2.55	-53.99
CCCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229729	1	49	-1.0	-56.55	406.74	2.56	-53.99
CCCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229730	0	49	-1.0	-51.25	408.25	2.59	-48.66
CCCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229730	1	49	-1.0	-51.21	408.33	2.61	-48.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2CCCCCC2)=C1	REAL300020229731	0	53	-1.0	-48.62	407.51	6.42	-42.20
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2CCCCCC2)=C1	REAL300020229731	1	53	-1.0	-48.60	407.45	6.40	-42.20
O=C(NC1=CC=CC(N2CCCCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229732	0	53	-1.0	-42.26	387.15	5.96	-36.30
O=C(NC1=CC=CC(N2CCCCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229732	1	53	-1.0	-42.24	387.20	5.97	-36.27
O=C(NC1=CC=CC(N2CCCCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229733	0	50	-1.0	-53.36	373.11	5.00	-48.36
O=C(NC1=CC=CC(N2CCCCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229733	1	50	-1.0	-53.36	373.17	5.01	-48.35
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCCCCC2)=C1)C1=N[N-]N=N1	REAL300020229734	0	53	-1.0	-47.42	416.64	4.96	-42.46
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCCCCC2)=C1)C1=NN=N[N-]1	REAL300020229734	1	53	-1.0	-47.43	416.70	4.97	-42.46
O=C(NC1=CC=CC(N2CCCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229735	0	50	-1.0	-43.67	374.44	5.05	-38.62
O=C(NC1=CC=CC(N2CCCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229735	1	50	-1.0	-43.66	374.52	5.06	-38.60
O=C(NC1=CC=CC(N2CCCCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229736	0	56	-1.0	-44.48	404.95	6.58	-37.90
O=C(NC1=CC=CC(N2CCCCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229736	1	56	-1.0	-44.45	404.99	6.59	-37.86
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC1CCOCC1	REAL300020229737	0	53	-1.0	-44.57	406.74	5.41	-39.16
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC1CCOCC1	REAL300020229737	1	53	-1.0	-44.54	406.80	5.43	-39.11
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC1CCOCC1	REAL300020229738	0	50	-1.0	-55.27	390.58	4.53	-50.74
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC1CCOCC1	REAL300020229738	1	50	-1.0	-55.27	390.64	4.54	-50.73
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC1CCOCC1	REAL300020229739	0	50	-1.0	-44.53	392.72	4.61	-39.92
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC1CCOCC1	REAL300020229739	1	50	-1.0	-44.50	392.80	4.63	-39.87
COC(=O)C1=CC(Cl)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020229740	0	41	-1.0	-49.43	374.38	6.01	-43.42
COC(=O)C1=CC(Cl)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020229740	1	41	-1.0	-49.46	374.32	5.98	-43.48
COC(=O)C1=CC(Cl)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229741	0	41	-1.0	-43.45	355.58	5.45	-38.00
COC(=O)C1=CC(Cl)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229741	1	41	-1.0	-43.45	355.64	5.47	-37.98
COC(=O)C1=CC(Cl)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229742	0	38	-1.0	-52.42	340.03	4.56	-47.86
COC(=O)C1=CC(Cl)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229742	1	38	-1.0	-52.45	340.09	4.58	-47.87
COC(=O)C1=CC(Cl)=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020229743	0	41	-1.0	-49.35	383.84	4.50	-44.85
COC(=O)C1=CC(Cl)=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020229743	1	41	-1.0	-49.36	383.90	4.51	-44.85
COC(=O)C1=CC(Cl)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229744	0	38	-1.0	-48.01	341.43	4.62	-43.39
COC(=O)C1=CC(Cl)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229744	1	38	-1.0	-48.02	341.50	4.63	-43.39
COC(=O)C1=CC(Cl)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020229745	0	44	-1.0	-42.45	367.99	5.60	-36.85
COC(=O)C1=CC(Cl)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020229745	1	44	-1.0	-42.48	368.03	5.61	-36.87
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C=C1OCC1CC1	REAL300020229746	0	46	-1.0	-39.97	390.68	6.79	-33.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C=C1OCC1CC1	REAL300020229746	1	46	-1.0	-39.96	390.62	6.76	-33.20
O=C(NC1=CC=C(F)C=C1OCC1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229747	0	46	-1.0	-41.69	371.87	6.31	-35.38
O=C(NC1=CC=C(F)C=C1OCC1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229747	1	46	-1.0	-41.72	371.93	6.32	-35.40
O=C(NC1=CC=C(F)C=C1OCC1CC1)N1CCCC1C1=N[N-]N=N1	REAL300020229748	0	43	-1.0	-51.04	357.25	5.37	-45.67
O=C(NC1=CC=C(F)C=C1OCC1CC1)N1CCCC1C1=NN=N[N-]1	REAL300020229748	1	43	-1.0	-51.00	357.31	5.39	-45.61
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OCC1CC1)C1=N[N-]N=N1	REAL300020229749	0	46	-1.0	-44.45	399.98	5.34	-39.11
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OCC1CC1)C1=NN=N[N-]1	REAL300020229749	1	46	-1.0	-44.48	400.03	5.35	-39.13
O=C(NC1=CC=C(F)C=C1OCC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229750	0	43	-1.0	-41.49	358.61	5.42	-36.07
O=C(NC1=CC=C(F)C=C1OCC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229750	1	43	-1.0	-41.46	358.69	5.44	-36.02
O=C(NC1=CC=C(F)C=C1OCC1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229751	0	49	-1.0	-47.81	380.25	7.28	-40.53
O=C(NC1=CC=C(F)C=C1OCC1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229751	1	49	-1.0	-47.79	380.30	7.29	-40.50
CC(C)(C)OC(=O)NC1=CC=C(F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229752	0	49	-1.0	-50.39	395.41	3.72	-46.67
CC(C)(C)OC(=O)NC1=CC=C(F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229752	1	49	-1.0	-50.42	395.47	3.74	-46.68
CC(C)(C)OC(=O)NC1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229753	0	49	-1.0	-42.21	397.60	3.78	-38.43
CC(C)(C)OC(=O)NC1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229753	1	49	-1.0	-42.27	397.67	3.80	-38.47
CCC1=NC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2O1	REAL300020229754	0	43	-1.0	-45.49	368.06	3.24	-42.25
CCC1=NC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2O1	REAL300020229754	1	43	-1.0	-45.50	368.00	3.22	-42.28
CCC1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020229755	0	43	-1.0	-44.98	349.36	2.68	-42.30
CCC1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020229755	1	43	-1.0	-44.98	349.42	2.69	-42.29
CCC1=NC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020229756	0	40	-1.0	-66.68	333.86	1.77	-64.91
CCC1=NC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020229756	1	40	-1.0	-66.67	333.92	1.80	-64.87
CCC1=NC2=CC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C2O1	REAL300020229757	0	43	-1.0	-47.72	377.52	1.72	-46.00
CCC1=NC2=CC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C2O1	REAL300020229757	1	43	-1.0	-47.72	377.58	1.74	-45.98
CCC1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020229758	0	40	-1.0	-52.38	335.37	1.83	-50.55
CCC1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020229758	1	40	-1.0	-52.41	335.45	1.84	-50.57
CCC1=NC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020229759	0	46	-1.0	-49.41	355.67	3.58	-45.83
CCC1=NC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020229759	1	46	-1.0	-49.45	355.71	3.60	-45.85
CC(C)C1=NC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2O1	REAL300020229760	0	46	-1.0	-45.25	388.88	3.86	-41.39
CC(C)C1=NC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2O1	REAL300020229760	1	46	-1.0	-45.24	388.82	3.83	-41.41
CC(C)C1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020229761	0	46	-1.0	-44.73	370.24	3.27	-41.46
CC(C)C1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020229761	1	46	-1.0	-44.74	370.30	3.29	-41.45
CC(C)C1=NC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020229762	0	43	-1.0	-61.12	354.81	2.37	-58.75
CC(C)C1=NC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020229762	1	43	-1.0	-61.08	354.87	2.38	-58.70
CSCC[C@H](NC(=O)NC1=CC=C2OC(C(C)C)=NC2=C1)C1=N[N-]N=N1	REAL300020229763	0	46	-1.0	-47.60	398.35	2.35	-45.25
CSCC[C@H](NC(=O)NC1=CC=C2OC(C(C)C)=NC2=C1)C1=NN=N[N-]1	REAL300020229763	1	46	-1.0	-47.58	398.40	2.36	-45.22
CC(C)C1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020229764	0	43	-1.0	-52.00	355.92	2.46	-49.54
CC(C)C1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020229764	1	43	-1.0	-51.99	355.99	2.47	-49.52
CC(C)C1=NC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020229765	0	49	-1.0	-46.04	382.54	3.45	-42.59
CC(C)C1=NC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020229765	1	49	-1.0	-46.05	382.57	3.46	-42.59
CC(=O)N(CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C1CC1	REAL300020229766	0	52	-1.0	-50.56	404.56	6.81	-43.75
CC(=O)N(CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C1CC1	REAL300020229766	1	52	-1.0	-50.59	404.62	6.82	-43.77
CC(=O)N(CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)C1CC1	REAL300020229767	0	49	-1.0	-57.28	387.04	5.73	-51.55
CC(=O)N(CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)C1CC1	REAL300020229767	1	49	-1.0	-57.33	387.10	5.75	-51.58
CC(=O)N(CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1CC1	REAL300020229768	0	49	-1.0	-50.16	390.56	6.00	-44.16
CC(=O)N(CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1CC1	REAL300020229768	1	49	-1.0	-50.17	390.63	6.00	-44.17
CC(=O)N(CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C1CC1	REAL300020229769	0	55	-1.0	-58.28	409.81	7.53	-50.75
CC(=O)N(CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C1CC1	REAL300020229769	1	55	-1.0	-58.29	409.85	7.53	-50.76
CNS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229770	0	43	-1.0	-61.19	379.84	0.90	-60.29
CNS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229770	1	43	-1.0	-61.16	379.90	0.92	-60.24
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229771	0	43	-1.0	-49.19	360.85	0.45	-48.74
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229771	1	43	-1.0	-49.16	360.91	0.46	-48.70
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229772	0	40	-1.0	-58.88	345.34	-0.47	-59.35
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229772	1	40	-1.0	-58.90	345.40	-0.45	-59.35
CNS(=O)(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020229773	0	43	-1.0	-53.37	388.86	-0.51	-53.88
CNS(=O)(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020229773	1	43	-1.0	-53.37	388.92	-0.49	-53.86
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229774	0	40	-1.0	-49.79	346.45	-0.38	-50.17
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229774	1	40	-1.0	-49.77	346.52	-0.38	-50.15
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229775	0	46	-1.0	-50.44	368.63	1.37	-49.07
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229775	1	46	-1.0	-50.42	368.68	1.37	-49.05
CN(C)C1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229776	0	43	-1.0	-48.90	372.69	5.18	-43.72
CN(C)C1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229776	1	43	-1.0	-48.90	372.63	5.16	-43.74
CN(C)C1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229777	0	43	-1.0	-43.00	353.36	4.67	-38.33
CN(C)C1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229777	1	43	-1.0	-43.00	353.42	4.69	-38.31
CN(C)C1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020229778	0	40	-1.0	-54.75	339.14	3.69	-51.06
CN(C)C1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020229778	1	40	-1.0	-54.78	339.19	3.70	-51.08
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1N(C)C)C1=N[N-]N=N1	REAL300020229779	0	43	-1.0	-47.50	381.86	3.71	-43.79
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1N(C)C)C1=NN=N[N-]1	REAL300020229779	1	43	-1.0	-47.56	381.92	3.72	-43.84
CN(C)C1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020229780	0	40	-1.0	-43.22	339.70	3.79	-39.43
CN(C)C1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020229780	1	40	-1.0	-43.22	339.78	3.80	-39.42
CN(C)C1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020229781	0	46	-1.0	-48.89	362.62	5.49	-43.40
CN(C)C1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020229781	1	46	-1.0	-48.91	362.69	5.49	-43.42
COC(=O)CN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020229782	0	41	-1.0	-50.91	359.94	4.61	-46.30
COC(=O)CN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020229782	1	41	-1.0	-50.92	359.88	4.59	-46.33
COC(=O)CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020229783	0	41	-1.0	-52.22	340.76	4.13	-48.09
COC(=O)CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020229783	1	41	-1.0	-52.21	340.70	4.12	-48.09
COC(=O)CN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020229784	0	38	-1.0	-60.46	325.30	3.22	-57.24
COC(=O)CN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020229784	1	38	-1.0	-60.43	325.24	3.19	-57.24
COC(=O)CN1C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020229785	0	41	-1.0	-55.93	368.90	3.19	-52.74
COC(=O)CN1C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020229785	1	41	-1.0	-55.86	368.85	3.17	-52.69
COC(=O)CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020229786	0	38	-1.0	-51.46	326.76	3.26	-48.20
COC(=O)CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020229786	1	38	-1.0	-51.47	326.68	3.25	-48.22
COC(=O)CN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020229787	0	44	-1.0	-55.43	348.70	5.00	-50.43
COC(=O)CN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020229787	1	44	-1.0	-55.45	348.66	4.99	-50.46
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229788	0	44	-1.0	-47.03	381.44	5.64	-41.39
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229788	1	44	-1.0	-47.03	381.38	5.61	-41.42
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229789	0	44	-1.0	-49.21	362.20	5.13	-44.08
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229789	1	44	-1.0	-49.21	362.25	5.15	-44.06
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229790	0	41	-1.0	-56.74	346.74	4.23	-52.51
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229790	1	41	-1.0	-56.68	346.80	4.25	-52.43
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=NC=C2)C=C1)C1=N[N-]N=N1	REAL300020229791	0	44	-1.0	-51.27	390.36	4.20	-47.07
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=NC=C2)C=C1)C1=NN=N[N-]1	REAL300020229791	1	44	-1.0	-51.26	390.42	4.21	-47.05
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229792	0	41	-1.0	-47.82	348.21	4.28	-43.54
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229792	1	41	-1.0	-47.83	348.28	4.29	-43.54
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229793	0	47	-1.0	-51.73	370.17	6.02	-45.71
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229793	1	47	-1.0	-51.78	370.21	6.03	-45.75
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229794	0	44	-1.0	-47.50	381.23	5.60	-41.90
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229794	1	44	-1.0	-47.49	381.18	5.58	-41.91
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229795	0	44	-1.0	-49.08	362.02	5.11	-43.97
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229795	1	44	-1.0	-49.07	362.07	5.12	-43.95
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229796	0	41	-1.0	-58.46	346.54	4.19	-54.27
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229796	1	41	-1.0	-58.46	346.59	4.21	-54.25
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020229797	0	44	-1.0	-52.89	390.16	4.17	-48.72
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020229797	1	44	-1.0	-52.93	390.22	4.19	-48.74
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229798	0	41	-1.0	-48.59	348.00	4.24	-44.35
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229798	1	41	-1.0	-48.57	348.08	4.25	-44.32
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229799	0	47	-1.0	-54.16	369.98	6.00	-48.16
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229799	1	47	-1.0	-54.09	370.02	6.01	-48.08
CN(C)C(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020229800	0	44	-1.0	-51.96	372.61	3.92	-48.04
CN(C)C(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020229800	1	44	-1.0	-51.91	372.55	3.89	-48.02
CN(C)C(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020229801	0	44	-1.0	-44.36	351.25	3.39	-40.97
CN(C)C(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020229801	1	44	-1.0	-44.35	351.20	3.38	-40.97
CN(C)C(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300020229802	0	41	-1.0	-64.34	337.98	2.48	-61.86
CN(C)C(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL300020229802	1	41	-1.0	-64.37	337.92	2.47	-61.90
CSCC[C@H](NC(=O)NC1=CC=NC(C(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020229803	0	44	-1.0	-62.95	381.18	2.45	-60.50
CSCC[C@H](NC(=O)NC1=CC=NC(C(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020229803	1	44	-1.0	-62.98	381.12	2.44	-60.54
CN(C)C(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020229804	0	41	-1.0	-54.72	338.65	2.55	-52.17
CN(C)C(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020229804	1	41	-1.0	-54.68	338.58	2.54	-52.14
CN(C)C(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020229805	0	47	-1.0	-46.28	367.16	3.64	-42.64
CN(C)C(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020229805	1	47	-1.0	-46.22	367.11	3.62	-42.60
CNS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC	REAL300020229806	0	47	-1.0	-49.00	380.92	0.30	-48.70
CNS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC	REAL300020229806	1	47	-1.0	-49.01	380.98	0.32	-48.69
CNS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC	REAL300020229807	0	44	-1.0	-71.45	365.15	-0.57	-72.02
CNS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC	REAL300020229807	1	44	-1.0	-71.49	365.21	-0.55	-72.04
CNS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC	REAL300020229808	0	44	-1.0	-47.94	366.82	-0.54	-48.48
CNS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC	REAL300020229808	1	44	-1.0	-47.95	366.89	-0.53	-48.48
O=C(NC1=NN(CCN2CCOCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229809	0	51	-1.0	-44.84	414.96	2.86	-41.98
O=C(NC1=NN(CCN2CCOCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229809	1	51	-1.0	-44.81	415.02	2.88	-41.93
O=C(NC1=NN(CCN2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229810	0	51	-1.0	-46.52	395.78	2.39	-44.13
O=C(NC1=NN(CCN2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229810	1	51	-1.0	-46.53	395.84	2.40	-44.13
O=C(NC1=NN(CCN2CCOCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229811	0	48	-1.0	-54.88	380.30	1.47	-53.41
O=C(NC1=NN(CCN2CCOCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229811	1	48	-1.0	-54.82	380.36	1.49	-53.33
CSCC[C@H](NC(=O)NC1=NN(CCN2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300020229812	0	51	-1.0	-48.84	423.93	1.44	-47.40
CSCC[C@H](NC(=O)NC1=NN(CCN2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300020229812	1	51	-1.0	-48.84	423.99	1.46	-47.38
O=C(NC1=NN(CCN2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229813	0	48	-1.0	-45.58	381.77	1.52	-44.06
O=C(NC1=NN(CCN2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229813	1	48	-1.0	-45.59	381.84	1.53	-44.06
O=C(NC1=NN(CCN2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229814	0	54	-1.0	-50.29	403.75	3.26	-47.03
O=C(NC1=NN(CCN2CCOCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229814	1	54	-1.0	-50.30	403.79	3.27	-47.03
N#CCCN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020229815	0	39	-1.0	-46.89	347.51	4.91	-41.98
N#CCCN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020229815	1	39	-1.0	-46.86	347.46	4.88	-41.98
N#CCCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020229816	0	39	-1.0	-48.69	328.35	4.43	-44.26
N#CCCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020229816	1	39	-1.0	-48.73	328.30	4.41	-44.32
N#CCCN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020229817	0	36	-1.0	-56.68	312.88	3.51	-53.17
N#CCCN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020229817	1	36	-1.0	-56.68	312.82	3.50	-53.18
CSCC[C@H](NC(=O)NC1=NN(CCC#N)C=C1)C1=NN=N[N-]1	REAL300020229818	0	39	-1.0	-50.15	356.51	3.48	-46.67
CSCC[C@H](NC(=O)NC1=NN(CCC#N)C=C1)C1=N[N-]N=N1	REAL300020229818	1	39	-1.0	-50.16	356.45	3.46	-46.70
N#CCCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020229819	0	36	-1.0	-47.83	314.36	3.56	-44.27
N#CCCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020229819	1	36	-1.0	-47.78	314.28	3.54	-44.24
N#CCCN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020229820	0	42	-1.0	-51.51	336.29	5.29	-46.22
N#CCCN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020229820	1	42	-1.0	-51.50	336.25	5.29	-46.21
O=C(CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1)N1CCOCC1	REAL300020229821	0	50	-1.0	-55.85	395.29	3.20	-52.65
O=C(CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1)N1CCOCC1	REAL300020229821	1	50	-1.0	-55.81	395.23	3.19	-52.62
O=C(CN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1)N1CCOCC1	REAL300020229822	0	47	-1.0	-64.14	379.81	2.26	-61.88
O=C(CN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1)N1CCOCC1	REAL300020229822	1	47	-1.0	-64.12	379.75	2.24	-61.88
O=C(CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1)N1CCOCC1	REAL300020229823	0	47	-1.0	-55.22	381.31	2.33	-52.89
O=C(CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1)N1CCOCC1	REAL300020229823	1	47	-1.0	-55.21	381.23	2.31	-52.90
COCCCN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020229824	0	45	-1.0	-46.43	381.83	4.24	-42.19
COCCCN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020229824	1	45	-1.0	-46.42	381.78	4.21	-42.21
COCCCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020229825	0	45	-1.0	-48.10	362.67	3.76	-44.34
COCCCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020229825	1	45	-1.0	-48.07	362.61	3.75	-44.32
COCCCN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020229826	0	42	-1.0	-56.60	347.19	2.85	-53.75
COCCCN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020229826	1	42	-1.0	-56.59	347.14	2.83	-53.76
COCCCN1C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020229827	0	45	-1.0	-50.97	390.81	2.81	-48.16
COCCCN1C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020229827	1	45	-1.0	-50.96	390.76	2.80	-48.16
COCCCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020229828	0	42	-1.0	-47.27	348.68	2.89	-44.38
COCCCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020229828	1	42	-1.0	-47.21	348.60	2.87	-44.34
COCCCN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020229829	0	48	-1.0	-51.94	370.61	4.63	-47.31
COCCCN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020229829	1	48	-1.0	-51.93	370.56	4.62	-47.31
CC1=CN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2F)N=C1	REAL300020229830	0	45	-1.0	-57.81	386.77	6.65	-51.16
CC1=CN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2F)N=C1	REAL300020229830	1	45	-1.0	-57.80	386.71	6.63	-51.17
CC1=CN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2F)N=C1	REAL300020229831	0	45	-1.0	-46.11	368.72	6.33	-39.78
CC1=CN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2F)N=C1	REAL300020229831	1	45	-1.0	-46.08	368.66	6.31	-39.77
CC1=CN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2F)N=C1	REAL300020229832	0	42	-1.0	-55.01	352.46	5.24	-49.77
CC1=CN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2F)N=C1	REAL300020229832	1	42	-1.0	-55.01	352.40	5.23	-49.78
CSCC[C@H](NC(=O)NC1=CC=C(N2C=C(C)C=N2)C(F)=C1)C1=NN=N[N-]1	REAL300020229833	0	45	-1.0	-59.55	396.69	5.41	-54.14
CSCC[C@H](NC(=O)NC1=CC=C(N2C=C(C)C=N2)C(F)=C1)C1=N[N-]N=N1	REAL300020229833	1	45	-1.0	-59.58	396.63	5.40	-54.18
CC1=CN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2F)N=C1	REAL300020229834	0	42	-1.0	-46.60	353.84	5.29	-41.31
CC1=CN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2F)N=C1	REAL300020229834	1	42	-1.0	-46.59	353.77	5.28	-41.31
CC1=CN(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2F)N=C1	REAL300020229835	0	48	-1.0	-41.01	382.18	6.36	-34.65
CC1=CN(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2F)N=C1	REAL300020229835	1	48	-1.0	-40.99	382.13	6.34	-34.65
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1S(=O)(=O)NC1CC1	REAL300020229836	0	47	-1.0	-57.39	389.18	2.22	-55.17
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1S(=O)(=O)NC1CC1	REAL300020229836	1	47	-1.0	-57.44	389.24	2.23	-55.21
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1S(=O)(=O)NC1CC1	REAL300020229837	0	47	-1.0	-47.65	390.40	2.28	-45.37
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1S(=O)(=O)NC1CC1	REAL300020229837	1	47	-1.0	-47.67	390.47	2.30	-45.37
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C(=O)N(C)C	REAL300020229838	0	48	-1.0	-44.61	395.18	5.28	-39.33
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C(=O)N(C)C	REAL300020229838	1	48	-1.0	-44.65	395.12	5.25	-39.40
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C(=O)N(C)C	REAL300020229839	0	48	-1.0	-45.89	376.86	4.76	-41.13
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C(=O)N(C)C	REAL300020229839	1	48	-1.0	-45.88	376.92	4.77	-41.11
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(=O)N(C)C	REAL300020229840	0	45	-1.0	-56.57	362.35	3.94	-52.63
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(=O)N(C)C	REAL300020229840	1	45	-1.0	-56.57	362.41	3.95	-52.62
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)N(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300020229841	0	48	-1.0	-49.31	403.61	3.87	-45.44
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)N(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300020229841	1	48	-1.0	-49.35	403.67	3.88	-45.47
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(=O)N(C)C	REAL300020229842	0	45	-1.0	-47.30	362.43	3.94	-43.36
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(=O)N(C)C	REAL300020229842	1	45	-1.0	-47.29	362.51	3.95	-43.34
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(=O)N(C)C	REAL300020229843	0	51	-1.0	-45.68	389.27	4.90	-40.78
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(=O)N(C)C	REAL300020229843	1	51	-1.0	-42.50	389.29	4.91	-37.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1OCC1CC1	REAL300020229844	0	46	-1.0	-41.97	384.24	6.72	-35.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1OCC1CC1	REAL300020229844	1	46	-1.0	-41.93	384.18	6.69	-35.24
O=C(NC1=CC=CC=C1OCC1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229845	0	46	-1.0	-43.75	364.95	6.25	-37.50
O=C(NC1=CC=CC=C1OCC1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229845	1	46	-1.0	-43.80	365.01	6.26	-37.54
O=C(NC1=CC=CC=C1OCC1CC1)N1CCCC1C1=N[N-]N=N1	REAL300020229846	0	43	-1.0	-53.89	350.03	5.32	-48.57
O=C(NC1=CC=CC=C1OCC1CC1)N1CCCC1C1=NN=N[N-]1	REAL300020229846	1	43	-1.0	-53.91	350.09	5.33	-48.58
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC1CC1)C1=N[N-]N=N1	REAL300020229847	0	46	-1.0	-47.63	393.55	5.27	-42.36
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC1CC1)C1=NN=N[N-]1	REAL300020229847	1	46	-1.0	-47.58	393.61	5.28	-42.30
O=C(NC1=CC=CC=C1OCC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229848	0	43	-1.0	-43.53	351.42	5.38	-38.15
O=C(NC1=CC=CC=C1OCC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229848	1	43	-1.0	-43.55	351.49	5.39	-38.16
O=C(NC1=CC=CC=C1OCC1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229849	0	49	-1.0	-50.40	373.84	7.21	-43.19
O=C(NC1=CC=CC=C1OCC1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229849	1	49	-1.0	-50.38	373.90	7.22	-43.16
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1N1CCCS1(=O)=O	REAL300020229850	0	47	-1.0	-64.40	388.67	3.06	-61.34
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1N1CCCS1(=O)=O	REAL300020229850	1	47	-1.0	-64.45	388.72	3.07	-61.38
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1CCCS1(=O)=O	REAL300020229851	0	47	-1.0	-60.60	387.64	3.14	-57.46
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1CCCS1(=O)=O	REAL300020229851	1	47	-1.0	-60.63	387.71	3.15	-57.48
O=C(NC1=CC=C(OC2CCOC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229852	0	47	-1.0	-43.35	388.98	4.37	-38.98
O=C(NC1=CC=C(OC2CCOC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229852	1	47	-1.0	-43.40	389.03	4.39	-39.01
O=C(NC1=CC=C(OC2CCOC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229853	0	47	-1.0	-46.45	367.89	3.95	-42.50
O=C(NC1=CC=C(OC2CCOC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229853	1	47	-1.0	-46.47	367.95	3.97	-42.50
O=C(NC1=CC=C(OC2CCOC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229854	0	44	-1.0	-55.73	354.01	3.01	-52.72
O=C(NC1=CC=C(OC2CCOC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229854	1	44	-1.0	-55.74	354.07	3.04	-52.70
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCOC2)C=C1)C1=N[N-]N=N1	REAL300020229855	0	47	-1.0	-48.63	398.03	3.01	-45.62
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCOC2)C=C1)C1=NN=N[N-]1	REAL300020229855	1	47	-1.0	-48.64	398.09	3.02	-45.62
O=C(NC1=CC=C(OC2CCOC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229856	0	44	-1.0	-47.10	356.08	3.07	-44.03
O=C(NC1=CC=C(OC2CCOC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229856	1	44	-1.0	-47.16	356.15	3.07	-44.09
O=C(NC1=CC=C(OC2CCOC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229857	0	50	-1.0	-52.69	377.38	4.82	-47.87
O=C(NC1=CC=C(OC2CCOC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229857	1	50	-1.0	-52.69	377.43	4.82	-47.87
CCCS(=O)(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229858	0	49	-1.0	-48.40	400.51	2.69	-45.71
CCCS(=O)(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229858	1	49	-1.0	-48.41	400.57	2.70	-45.71
CCCS(=O)(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229859	0	46	-1.0	-56.14	388.85	1.68	-54.46
CCCS(=O)(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229859	1	46	-1.0	-56.10	388.91	1.70	-54.40
CCCS(=O)(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229860	0	46	-1.0	-47.19	386.30	1.86	-45.33
CCCS(=O)(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229860	1	46	-1.0	-47.15	386.38	1.87	-45.28
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OCCC(C)C	REAL300020229861	0	54	-1.0	-53.12	435.22	7.81	-45.31
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OCCC(C)C	REAL300020229861	1	54	-1.0	-53.11	435.28	7.84	-45.27
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OCCC(C)C	REAL300020229862	0	54	-1.0	-43.13	416.02	7.36	-35.77
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OCCC(C)C	REAL300020229862	1	54	-1.0	-43.10	416.08	7.38	-35.72
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OCCC(C)C	REAL300020229863	0	51	-1.0	-52.53	400.73	6.45	-46.08
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OCCC(C)C	REAL300020229863	1	51	-1.0	-52.54	400.79	6.46	-46.08
CSCC[C@H](NC(=O)NC1=CC=C(C)C(OCCC(C)C)=C1)C1=N[N-]N=N1	REAL300020229864	0	54	-1.0	-47.25	444.27	6.41	-40.84
CSCC[C@H](NC(=O)NC1=CC=C(C)C(OCCC(C)C)=C1)C1=NN=N[N-]1	REAL300020229864	1	54	-1.0	-47.20	444.32	6.42	-40.78
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCCC(C)C	REAL300020229865	0	51	-1.0	-43.19	401.85	6.53	-36.66
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCCC(C)C	REAL300020229865	1	51	-1.0	-43.16	401.92	6.54	-36.62
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OCCC(C)C	REAL300020229866	0	57	-1.0	-42.52	428.47	7.54	-34.98
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OCCC(C)C	REAL300020229866	1	57	-1.0	-42.50	428.51	7.54	-34.96
CC1CN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)CCO1	REAL300020229867	0	51	-1.0	-44.52	411.95	4.54	-39.98
CC1CN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)CCO1	REAL300020229867	1	51	-1.0	-44.52	412.00	4.56	-39.96
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CCO1	REAL300020229868	0	51	-1.0	-44.62	393.42	4.01	-40.61
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CCO1	REAL300020229868	1	51	-1.0	-44.64	393.48	4.03	-40.61
CC1CN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CCO1	REAL300020229869	0	48	-1.0	-53.73	377.91	3.09	-50.64
CC1CN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CCO1	REAL300020229869	1	48	-1.0	-53.75	377.97	3.11	-50.64
CSCC[C@H](NC(=O)NC1=CC=C(N2CCOC(C)C2)C=C1)C1=N[N-]N=N1	REAL300020229870	0	51	-1.0	-49.67	421.44	3.06	-46.61
CSCC[C@H](NC(=O)NC1=CC=C(N2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300020229870	1	51	-1.0	-49.72	421.50	3.07	-46.65
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CCO1	REAL300020229871	0	48	-1.0	-44.68	379.30	3.14	-41.54
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300020229871	1	48	-1.0	-44.73	379.37	3.16	-41.57
CC1CN(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CCO1	REAL300020229872	0	54	-1.0	-40.82	405.72	4.18	-36.64
CC1CN(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CCO1	REAL300020229872	1	54	-1.0	-40.83	405.76	4.20	-36.63
O=C(NC1=CC=C(COC2CCCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229873	0	52	-1.0	-49.43	424.71	7.56	-41.87
O=C(NC1=CC=C(COC2CCCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229873	1	52	-1.0	-49.43	424.77	7.59	-41.84
O=C(NC1=CC=C(COC2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229874	0	52	-1.0	-44.43	404.48	7.12	-37.31
O=C(NC1=CC=C(COC2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229874	1	52	-1.0	-44.41	404.54	7.14	-37.27
O=C(NC1=CC=C(COC2CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229875	0	49	-1.0	-53.64	390.62	6.13	-47.51
O=C(NC1=CC=C(COC2CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229875	1	49	-1.0	-53.66	390.68	6.14	-47.52
CSCC[C@H](NC(=O)NC1=CC=C(COC2CCCC2)C=C1)C1=N[N-]N=N1	REAL300020229876	0	52	-1.0	-49.62	433.88	6.12	-43.50
CSCC[C@H](NC(=O)NC1=CC=C(COC2CCCC2)C=C1)C1=NN=N[N-]1	REAL300020229876	1	52	-1.0	-49.60	433.94	6.13	-43.47
O=C(NC1=CC=C(COC2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229877	0	49	-1.0	-44.74	391.73	6.22	-38.52
O=C(NC1=CC=C(COC2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229877	1	49	-1.0	-44.81	391.80	6.22	-38.59
O=C(NC1=CC=C(COC2CCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229878	0	55	-1.0	-44.05	418.22	7.26	-36.79
O=C(NC1=CC=C(COC2CCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229878	1	55	-1.0	-44.09	418.23	7.26	-36.83
O=C([N-]C1=NC2=C(SC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229879	0	33	-2.0	-88.93	322.07	3.22	-85.71
O=C(NC1=NC2=C(SC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229879	1	34	-1.0	-41.76	325.32	4.41	-37.35
O=C(NC1=NC2=C(SC=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229880	0	34	-1.0	-43.59	306.18	3.95	-39.64
O=C(NC1=NC2=C(SC=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229880	1	34	-1.0	-43.58	306.12	3.93	-39.65
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229880	1	33	-2.0	-91.18	305.13	3.12	-88.06
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229880	1	33	-2.0	-91.18	305.07	3.10	-88.08
O=C(NC1=NC2=C(SC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020229881	0	31	-1.0	-51.05	290.74	3.06	-47.99
O=C(NC1=NC2=C(SC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020229881	1	31	-1.0	-51.02	290.68	3.04	-47.98
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020229881	1	30	-2.0	-111.71	289.27	2.00	-109.71
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020229881	1	30	-2.0	-111.74	289.33	2.02	-109.72
CSCC[C@H](NC(=O)NC1=NC2=C(SC=C2)S1)C1=N[N-]N=N1	REAL300020229882	0	34	-1.0	-45.01	334.30	3.00	-42.01
CSCC[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=N[N-]N=N1	REAL300020229882	1	33	-2.0	-102.25	331.05	1.81	-100.44
O=C(NC1=NC2=C(SC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229883	0	31	-1.0	-42.23	292.22	3.10	-39.13
O=C(NC1=NC2=C(SC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229883	1	31	-1.0	-42.16	292.15	3.09	-39.07
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229883	1	30	-2.0	-91.35	290.10	2.06	-89.29
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229883	1	30	-2.0	-91.36	290.03	2.05	-89.31
O=C(NC1=NC2=C(SC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229884	0	37	-1.0	-47.70	314.54	4.84	-42.86
O=C(NC1=NC2=C(SC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229884	1	37	-1.0	-47.73	314.51	4.83	-42.90
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229884	1	36	-2.0	-96.07	318.17	3.68	-92.39
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229884	1	36	-2.0	-96.05	318.10	3.68	-92.37
CC1=CC=CC(COC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=C1	REAL300020229885	0	52	-1.0	-45.23	416.90	8.21	-37.02
CC1=CC=CC(COC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=C1	REAL300020229885	1	52	-1.0	-45.20	416.96	8.22	-36.98
CC1=CC=CC(COC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=C1	REAL300020229886	0	49	-1.0	-63.17	401.17	7.35	-55.82
CC1=CC=CC(COC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=C1	REAL300020229886	1	49	-1.0	-63.18	401.23	7.36	-55.82
CC1=CC=CC(COC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020229887	0	49	-1.0	-49.79	402.81	7.37	-42.42
CC1=CC=CC(COC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020229887	1	49	-1.0	-49.81	402.89	7.37	-42.44
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229888	0	47	-1.0	-45.79	402.95	6.42	-39.37
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229888	1	47	-1.0	-45.77	402.89	6.40	-39.37
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229889	0	47	-1.0	-47.31	383.67	5.93	-41.38
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229889	1	47	-1.0	-47.34	383.73	5.95	-41.39
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229890	0	44	-1.0	-55.92	368.25	5.02	-50.90
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229890	1	44	-1.0	-55.93	368.31	5.03	-50.90
CSCC[C@H](NC(=O)NC1=NN(CCC2=CC=NC=C2)C=C1)C1=N[N-]N=N1	REAL300020229891	0	47	-1.0	-49.64	411.87	4.98	-44.66
CSCC[C@H](NC(=O)NC1=NN(CCC2=CC=NC=C2)C=C1)C1=NN=N[N-]1	REAL300020229891	1	47	-1.0	-49.64	411.93	5.00	-44.64
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229892	0	44	-1.0	-46.73	369.72	5.06	-41.67
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229892	1	44	-1.0	-46.70	369.79	5.08	-41.62
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229893	0	50	-1.0	-51.16	391.72	6.82	-44.34
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229893	1	50	-1.0	-51.19	391.78	6.83	-44.36
CCNC(=O)N1CCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020229894	0	51	-1.0	-50.78	399.94	5.03	-45.75
CCNC(=O)N1CCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020229894	1	51	-1.0	-50.77	400.00	5.05	-45.72
CCNC(=O)N1CCC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020229895	0	48	-1.0	-62.03	384.91	4.08	-57.95
CCNC(=O)N1CCC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020229895	1	48	-1.0	-62.05	384.97	4.10	-57.95
CCNC(=O)N1CCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020229896	0	48	-1.0	-50.82	386.28	4.14	-46.68
CCNC(=O)N1CCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020229896	1	48	-1.0	-50.82	386.35	4.14	-46.68
CCNC(=O)N1CCC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020229897	0	54	-1.0	-58.15	414.68	5.19	-52.96
CCNC(=O)N1CCC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020229897	1	54	-1.0	-58.17	414.73	5.22	-52.95
CN1C=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1=O	REAL300020229898	0	38	-1.0	-56.04	328.92	4.60	-51.44
CN1C=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1=O	REAL300020229898	1	38	-1.0	-56.01	328.86	4.57	-51.44
CN1C=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020229899	0	38	-1.0	-48.55	306.43	3.02	-45.53
CN1C=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020229899	1	38	-1.0	-48.59	306.48	3.04	-45.55
CSCC[C@H](NC(=O)NC1=CC=CN(C)C1=O)C1=N[N-]N=N1	REAL300020229900	0	38	-1.0	-59.75	338.92	2.84	-56.91
CSCC[C@H](NC(=O)NC1=CC=CN(C)C1=O)C1=NN=N[N-]1	REAL300020229900	1	38	-1.0	-59.71	338.98	2.86	-56.85
CN1C=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020229901	0	41	-1.0	-54.17	320.02	3.37	-50.80
CN1C=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020229901	1	41	-1.0	-54.15	320.07	3.38	-50.77
CN(C)S(=O)(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020229902	0	46	-1.0	-49.20	386.43	2.34	-46.86
CN(C)S(=O)(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020229902	1	46	-1.0	-49.22	386.49	2.36	-46.86
CN(C)S(=O)(=O)C1=CC=C(F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020229903	0	43	-1.0	-61.34	369.89	1.45	-59.89
CN(C)S(=O)(=O)C1=CC=C(F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020229903	1	43	-1.0	-61.35	369.95	1.46	-59.89
CN(C)S(=O)(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020229904	0	43	-1.0	-50.32	372.09	1.49	-48.83
CN(C)S(=O)(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020229904	1	43	-1.0	-50.36	372.16	1.51	-48.85
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC(F)F	REAL300020229905	0	42	-1.0	-54.34	362.61	5.08	-49.26
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC(F)F	REAL300020229905	1	42	-1.0	-54.32	362.56	5.06	-49.26
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC(F)F	REAL300020229906	0	42	-1.0	-44.87	343.10	4.65	-40.22
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC(F)F	REAL300020229906	1	42	-1.0	-44.88	343.16	4.66	-40.22
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC(F)F	REAL300020229907	0	39	-1.0	-55.23	327.81	3.73	-51.50
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC(F)F	REAL300020229907	1	39	-1.0	-55.26	327.87	3.74	-51.52
CSCC[C@H](NC(=O)NC1=CC=C(C)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL300020229908	0	42	-1.0	-48.89	371.60	3.65	-45.24
CSCC[C@H](NC(=O)NC1=CC=C(C)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL300020229908	1	42	-1.0	-48.90	371.66	3.66	-45.24
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300020229909	0	39	-1.0	-45.01	329.19	3.77	-41.24
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300020229909	1	39	-1.0	-45.04	329.26	3.78	-41.26
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC(F)F	REAL300020229910	0	45	-1.0	-46.01	355.83	4.79	-41.22
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC(F)F	REAL300020229910	1	45	-1.0	-46.03	355.87	4.80	-41.23
CS(=O)(=O)NCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229911	0	46	-1.0	-51.65	384.19	1.10	-50.55
CS(=O)(=O)NCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229911	1	46	-1.0	-51.66	384.25	1.12	-50.54
CS(=O)(=O)NCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229912	0	43	-1.0	-59.88	368.68	0.18	-59.70
CS(=O)(=O)NCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229912	1	43	-1.0	-59.88	368.74	0.20	-59.68
CSCC[C@H](NC(=O)NC1=CC=C(CNS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020229913	0	46	-1.0	-55.04	412.21	0.15	-54.89
CSCC[C@H](NC(=O)NC1=CC=C(CNS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020229913	1	46	-1.0	-55.02	412.27	0.16	-54.86
CS(=O)(=O)NCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229914	0	43	-1.0	-51.43	369.80	0.27	-51.16
CS(=O)(=O)NCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229914	1	43	-1.0	-51.43	369.87	0.28	-51.15
CS(=O)(=O)NCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229915	0	49	-1.0	-49.41	396.48	1.27	-48.14
CS(=O)(=O)NCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229915	1	49	-1.0	-49.43	396.53	1.29	-48.14
O=C(NCC1=CC=CO1)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229916	0	48	-1.0	-57.60	401.60	2.90	-54.70
O=C(NCC1=CC=CO1)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229916	1	48	-1.0	-57.60	401.66	2.92	-54.68
O=C(NCC1=CC=CO1)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229917	0	48	-1.0	-54.33	403.39	2.93	-51.40
O=C(NCC1=CC=CO1)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229917	1	48	-1.0	-54.37	403.46	2.94	-51.43
O=C(NC1=CC=C(OCC2=NOC(C3CC3)=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229918	0	48	-1.0	-59.01	403.24	3.71	-55.30
O=C(NC1=CC=C(OCC2=NOC(C3CC3)=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229918	1	48	-1.0	-59.03	403.30	3.73	-55.30
O=C(NC1=CC=C(OCC2=NOC(C3CC3)=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229919	0	48	-1.0	-49.86	404.62	3.76	-46.10
O=C(NC1=CC=C(OCC2=NOC(C3CC3)=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229919	1	48	-1.0	-49.85	404.69	3.78	-46.07
O=C([N-]C1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229920	0	38	-2.0	-87.98	338.94	1.95	-86.03
O=C([N-]C1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229920	1	38	-2.0	-88.01	338.89	1.93	-86.08
O=C(NC1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229920	1	39	-1.0	-41.19	342.20	3.15	-38.04
O=C(NC1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229920	1	39	-1.0	-41.17	342.15	3.13	-38.04
O=C(NC1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229921	0	39	-1.0	-43.03	322.95	2.67	-40.36
O=C(NC1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229921	1	39	-1.0	-43.07	323.01	2.68	-40.39
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229921	1	38	-2.0	-90.01	321.90	1.82	-88.19
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229921	1	38	-2.0	-90.00	321.96	1.83	-88.17
O=C(NC1=NC2=C(COCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020229922	0	36	-1.0	-49.51	307.51	1.76	-47.75
O=C(NC1=NC2=C(COCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020229922	1	36	-1.0	-49.47	307.56	1.77	-47.70
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020229922	1	35	-2.0	-109.80	306.10	0.71	-109.09
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020229922	1	35	-2.0	-109.77	306.16	0.73	-109.04
CSCC[C@H](NC(=O)NC1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL300020229923	0	39	-1.0	-44.33	351.12	1.72	-42.61
CSCC[C@H](NC(=O)NC1=NC2=C(COCC2)S1)C1=NN=N[N-]1	REAL300020229923	1	39	-1.0	-44.33	351.18	1.74	-42.59
CSCC[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL300020229923	1	38	-2.0	-101.14	347.88	0.52	-100.62
O=C(NC1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229924	0	36	-1.0	-41.40	308.96	1.81	-39.59
O=C(NC1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229924	1	36	-1.0	-41.41	309.03	1.83	-39.58
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229924	1	35	-2.0	-90.24	306.85	0.75	-89.49
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229924	1	35	-2.0	-90.21	306.93	0.77	-89.44
O=C(NC1=NC2=C(COCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229925	0	42	-1.0	-46.64	331.21	3.53	-43.11
O=C(NC1=NC2=C(COCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229925	1	42	-1.0	-46.62	331.26	3.54	-43.08
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229925	1	41	-2.0	-94.70	334.93	2.38	-92.32
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229925	1	41	-2.0	-94.69	334.99	2.39	-92.30
CC1CCN(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)CC1	REAL300020229926	0	53	-1.0	-47.65	416.94	6.66	-40.99
CC1CCN(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)CC1	REAL300020229926	1	53	-1.0	-47.62	416.88	6.63	-40.99
CC1CCN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)CC1	REAL300020229927	0	53	-1.0	-42.19	396.65	6.20	-35.99
CC1CCN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CC1	REAL300020229927	1	53	-1.0	-42.19	396.71	6.22	-35.97
CC1CCN(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)CC1	REAL300020229928	0	50	-1.0	-59.61	382.24	5.27	-54.34
CC1CCN(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)CC1	REAL300020229928	1	50	-1.0	-59.60	382.30	5.28	-54.32
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCC(C)CC2)=C1)C1=N[N-]N=N1	REAL300020229929	0	53	-1.0	-48.80	426.06	5.19	-43.61
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCC(C)CC2)=C1)C1=NN=N[N-]1	REAL300020229929	1	53	-1.0	-48.81	426.12	5.21	-43.60
CC1CCN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020229930	0	50	-1.0	-46.09	383.63	5.33	-40.76
CC1CCN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020229930	1	50	-1.0	-46.10	383.71	5.33	-40.77
CC1CCN(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)CC1	REAL300020229931	0	56	-1.0	-44.09	410.36	6.33	-37.76
CC1CCN(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)CC1	REAL300020229931	1	56	-1.0	-44.06	410.39	6.33	-37.73
CS(=O)(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020229932	0	43	-1.0	-57.84	377.00	1.46	-56.38
CS(=O)(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020229932	1	43	-1.0	-57.83	376.95	1.44	-56.39
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020229933	0	43	-1.0	-52.15	360.55	0.87	-51.28
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020229933	1	43	-1.0	-52.19	360.61	0.89	-51.30
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020229934	0	40	-1.0	-57.59	342.21	0.07	-57.52
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020229934	1	40	-1.0	-57.57	342.27	0.09	-57.48
CSCC[C@H](NC(=O)NC1=CC=C(NS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020229935	0	43	-1.0	-59.52	389.14	-0.06	-59.58
CSCC[C@H](NC(=O)NC1=CC=C(NS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020229935	1	43	-1.0	-59.55	389.20	-0.04	-59.59
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020229936	0	40	-1.0	-53.56	343.62	0.13	-53.43
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020229936	1	40	-1.0	-53.59	343.69	0.15	-53.44
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020229937	0	46	-1.0	-55.89	368.60	1.75	-54.14
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020229937	1	46	-1.0	-55.81	368.64	1.75	-54.06
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020229938	0	43	-1.0	-48.75	371.70	1.52	-47.23
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020229938	1	43	-1.0	-48.76	371.76	1.54	-47.22
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020229939	0	40	-1.0	-58.22	356.56	0.67	-57.55
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020229939	1	40	-1.0	-58.21	356.62	0.69	-57.52
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020229940	0	40	-1.0	-48.39	357.94	0.73	-47.66
CS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020229940	1	40	-1.0	-48.40	358.01	0.73	-47.67
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229941	0	45	-1.0	-54.81	386.76	6.40	-48.41
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229941	1	45	-1.0	-54.82	386.71	6.38	-48.44
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229942	0	45	-1.0	-48.26	367.56	5.94	-42.32
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229942	1	45	-1.0	-48.21	367.50	5.92	-42.29
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229943	0	42	-1.0	-60.25	352.11	5.01	-55.24
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229943	1	42	-1.0	-60.22	352.05	5.00	-55.22
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020229944	0	45	-1.0	-52.64	395.73	4.98	-47.66
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020229944	1	45	-1.0	-52.63	395.67	4.97	-47.66
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229945	0	42	-1.0	-49.51	353.61	5.07	-44.44
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229945	1	42	-1.0	-49.46	353.53	5.05	-44.41
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229946	0	48	-1.0	-56.05	375.55	6.81	-49.24
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229946	1	48	-1.0	-56.03	375.51	6.81	-49.22
O=C(NC1=CN(C2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229947	0	42	-1.0	-46.05	361.35	5.96	-40.09
O=C(NC1=CN(C2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229947	1	42	-1.0	-46.04	361.29	5.93	-40.11
O=C(NC1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229948	0	42	-1.0	-47.84	342.16	5.49	-42.35
O=C(NC1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229948	1	42	-1.0	-47.86	342.10	5.47	-42.39
O=C(NC1=CN(C2=CC=CC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229949	0	39	-1.0	-58.93	326.71	4.58	-54.35
O=C(NC1=CN(C2=CC=CC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229949	1	39	-1.0	-58.91	326.65	4.56	-54.35
CSCC[C@H](NC(=O)NC1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020229950	0	42	-1.0	-51.41	370.33	4.54	-46.87
CSCC[C@H](NC(=O)NC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020229950	1	42	-1.0	-51.43	370.28	4.53	-46.90
O=C(NC1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229951	0	39	-1.0	-48.30	328.21	4.62	-43.68
O=C(NC1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229951	1	39	-1.0	-48.27	328.13	4.62	-43.65
O=C(NC1=CN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229952	0	45	-1.0	-55.51	350.16	6.37	-49.14
O=C(NC1=CN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229952	1	45	-1.0	-55.49	350.12	6.37	-49.12
O=C(NC1=CN(C2=CC=CC=N2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229953	0	41	-1.0	-45.61	358.43	5.30	-40.31
O=C(NC1=CN(C2=CC=CC=N2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229953	1	41	-1.0	-45.59	358.38	5.27	-40.32
O=C(NC1=CN(C2=CC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229954	0	41	-1.0	-47.39	339.28	4.82	-42.57
O=C(NC1=CN(C2=CC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229954	1	41	-1.0	-47.36	339.22	4.81	-42.55
O=C(NC1=CN(C2=CC=CC=N2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229955	0	38	-1.0	-57.24	323.80	3.92	-53.32
O=C(NC1=CN(C2=CC=CC=N2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229955	1	38	-1.0	-57.22	323.75	3.89	-53.33
CSCC[C@H](NC(=O)NC1=CN(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL300020229956	0	41	-1.0	-50.40	367.41	3.87	-46.53
CSCC[C@H](NC(=O)NC1=CN(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL300020229956	1	41	-1.0	-50.43	367.35	3.86	-46.57
O=C(NC1=CN(C2=CC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229957	0	38	-1.0	-47.16	325.29	3.94	-43.22
O=C(NC1=CN(C2=CC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229957	1	38	-1.0	-47.09	325.22	3.94	-43.15
O=C(NC1=CN(C2=CC=CC=N2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229958	0	44	-1.0	-54.04	347.25	5.70	-48.34
O=C(NC1=CN(C2=CC=CC=N2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229958	1	44	-1.0	-54.06	347.21	5.70	-48.36
CN1C(=O)COC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020229959	0	44	-1.0	-54.54	370.38	3.75	-50.79
CN1C(=O)COC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020229959	1	44	-1.0	-54.50	370.32	3.72	-50.78
CN1C(=O)COC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020229960	0	44	-1.0	-45.66	352.28	3.25	-42.41
CN1C(=O)COC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020229960	1	44	-1.0	-45.62	352.34	3.27	-42.35
CN1C(=O)COC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020229961	0	41	-1.0	-53.07	336.01	2.33	-50.74
CN1C(=O)COC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020229961	1	41	-1.0	-53.08	336.07	2.35	-50.73
CSCC[C@H](NC(=O)NC1=CC=C2OCC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL300020229962	0	44	-1.0	-47.14	379.51	2.29	-44.85
CSCC[C@H](NC(=O)NC1=CC=C2OCC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL300020229962	1	44	-1.0	-47.16	379.57	2.31	-44.85
CN1C(=O)COC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020229963	0	41	-1.0	-47.78	338.27	2.42	-45.36
CN1C(=O)COC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020229963	1	41	-1.0	-47.78	338.34	2.43	-45.35
CN1C(=O)COC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020229964	0	47	-1.0	-40.28	364.71	3.47	-36.81
CN1C(=O)COC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020229964	1	47	-1.0	-40.30	364.75	3.47	-36.83
CCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020229965	0	36	-2.0	-90.90	329.75	3.77	-87.13
CCC1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020229965	1	37	-1.0	-45.05	333.01	4.97	-40.08
CCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020229965	1	36	-2.0	-90.89	329.70	3.74	-87.15
CCC1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020229965	1	37	-1.0	-45.05	332.95	4.95	-40.10
CCC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020229966	0	37	-1.0	-47.14	313.80	4.48	-42.66
CCC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020229966	1	37	-1.0	-47.13	313.75	4.46	-42.67
CCC1=CN=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020229967	0	37	-1.0	-51.04	341.99	3.55	-47.49
CCC1=CN=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020229967	1	37	-1.0	-51.02	341.93	3.53	-47.49
CCC1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020229968	0	40	-1.0	-54.09	322.06	5.34	-48.75
CCC1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020229968	1	40	-1.0	-54.06	322.01	5.34	-48.72
O=C(NC1=CC=C(N2CCSCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229969	0	48	-1.0	-42.44	397.39	5.87	-36.57
O=C(NC1=CC=C(N2CCSCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229969	1	48	-1.0	-42.47	397.45	5.90	-36.57
O=C(NC1=CC=C(N2CCSCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229970	0	48	-1.0	-44.41	377.13	5.39	-39.02
O=C(NC1=CC=C(N2CCSCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229970	1	48	-1.0	-44.42	377.18	5.40	-39.02
O=C(NC1=CC=C(N2CCSCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229971	0	45	-1.0	-55.94	362.68	4.51	-51.43
O=C(NC1=CC=C(N2CCSCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229971	1	45	-1.0	-55.95	362.74	4.53	-51.42
CSCC[C@H](NC(=O)NC1=CC=C(N2CCSCC2)C=C1)C1=N[N-]N=N1	REAL300020229972	0	48	-1.0	-48.40	406.16	4.49	-43.91
CSCC[C@H](NC(=O)NC1=CC=C(N2CCSCC2)C=C1)C1=NN=N[N-]1	REAL300020229972	1	48	-1.0	-48.40	406.21	4.51	-43.89
O=C(NC1=CC=C(N2CCSCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229973	0	45	-1.0	-44.31	363.99	4.58	-39.73
O=C(NC1=CC=C(N2CCSCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229973	1	45	-1.0	-44.32	364.07	4.59	-39.73
O=C(NC1=CC=C(N2CCSCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229974	0	51	-1.0	-48.84	386.22	6.32	-42.52
O=C(NC1=CC=C(N2CCSCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229974	1	51	-1.0	-48.85	386.27	6.33	-42.52
O=C(CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1)NC1CC1	REAL300020229975	0	46	-1.0	-64.28	395.92	2.84	-61.44
O=C(CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1)NC1CC1	REAL300020229975	1	46	-1.0	-64.30	395.86	2.82	-61.48
O=C(CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1)NC1CC1	REAL300020229976	0	46	-1.0	-57.38	376.69	2.38	-55.00
O=C(CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1)NC1CC1	REAL300020229976	1	46	-1.0	-57.36	376.63	2.37	-54.99
O=C(CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1)NC1CC1	REAL300020229977	0	43	-1.0	-72.47	361.23	1.46	-71.01
O=C(CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1)NC1CC1	REAL300020229977	1	43	-1.0	-72.46	361.17	1.45	-71.01
CSCC[C@H](NC(=O)NC1=CN(CC(=O)NC2CC2)N=C1)C1=NN=N[N-]1	REAL300020229978	0	46	-1.0	-62.19	404.88	1.43	-60.76
CSCC[C@H](NC(=O)NC1=CN(CC(=O)NC2CC2)N=C1)C1=N[N-]N=N1	REAL300020229978	1	46	-1.0	-62.21	404.82	1.41	-60.80
O=C(CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1)NC1CC1	REAL300020229979	0	43	-1.0	-59.65	362.72	1.50	-58.15
O=C(CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1)NC1CC1	REAL300020229979	1	43	-1.0	-59.64	362.65	1.49	-58.15
O=C(CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1)NC1CC1	REAL300020229980	0	49	-1.0	-69.29	384.71	3.26	-66.03
O=C(CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1)NC1CC1	REAL300020229980	1	49	-1.0	-69.28	384.67	3.25	-66.03
CC(C)(C)N1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020229981	0	44	-1.0	-45.47	365.30	4.55	-40.92
CC(C)(C)N1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020229981	1	44	-1.0	-45.47	365.25	4.52	-40.95
CC(C)(C)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020229982	0	44	-1.0	-46.76	346.13	4.09	-42.67
CC(C)(C)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020229982	1	44	-1.0	-46.73	346.08	4.07	-42.66
CC(C)(C)N1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020229983	0	41	-1.0	-58.81	330.68	3.18	-55.63
CC(C)(C)N1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020229983	1	41	-1.0	-58.82	330.62	3.15	-55.67
CSCC[C@H](NC(=O)NC1=CN(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020229984	0	44	-1.0	-51.26	374.30	3.13	-48.13
CSCC[C@H](NC(=O)NC1=CN(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020229984	1	44	-1.0	-51.25	374.24	3.12	-48.13
CC(C)(C)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020229985	0	41	-1.0	-47.83	332.18	3.21	-44.62
CC(C)(C)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020229985	1	41	-1.0	-47.86	332.10	3.21	-44.65
CC(C)(C)N1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020229986	0	47	-1.0	-55.13	354.12	4.96	-50.17
CC(C)(C)N1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020229986	1	47	-1.0	-55.18	354.08	4.96	-50.22
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229987	0	44	-1.0	-55.95	381.61	4.61	-51.34
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229987	1	44	-1.0	-55.96	381.55	4.59	-51.37
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229988	0	44	-1.0	-49.69	362.40	4.15	-45.54
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229988	1	44	-1.0	-49.67	362.34	4.14	-45.53
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020229989	0	41	-1.0	-62.00	346.89	3.21	-58.79
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020229989	1	41	-1.0	-62.02	346.95	3.23	-58.79
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=CN=C2)N=C1)C1=N[N-]N=N1	REAL300020229990	0	44	-1.0	-53.74	390.51	3.18	-50.56
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=CN=C2)N=C1)C1=NN=N[N-]1	REAL300020229990	1	44	-1.0	-53.74	390.57	3.20	-50.54
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229991	0	41	-1.0	-51.24	348.44	3.28	-47.96
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229991	1	41	-1.0	-51.21	348.37	3.27	-47.94
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229992	0	47	-1.0	-57.58	370.40	5.03	-52.55
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229992	1	47	-1.0	-57.63	370.36	5.02	-52.61
CN(C)C(=O)CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020229993	0	45	-1.0	-56.83	381.64	3.05	-53.78
CN(C)C(=O)CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020229993	1	45	-1.0	-56.82	381.58	3.03	-53.79
CN(C)C(=O)CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020229994	0	45	-1.0	-57.74	362.86	2.59	-55.15
CN(C)C(=O)CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020229994	1	45	-1.0	-57.72	362.81	2.57	-55.15
CN(C)C(=O)CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020229995	0	42	-1.0	-72.80	347.43	1.67	-71.13
CN(C)C(=O)CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020229995	1	42	-1.0	-72.77	347.37	1.65	-71.12
CSCC[C@H](NC(=O)NC1=CN(CC(=O)N(C)C)N=C1)C1=NN=N[N-]1	REAL300020229996	0	45	-1.0	-62.67	390.65	1.61	-61.06
CSCC[C@H](NC(=O)NC1=CN(CC(=O)N(C)C)N=C1)C1=N[N-]N=N1	REAL300020229996	1	45	-1.0	-62.64	390.59	1.60	-61.04
CN(C)C(=O)CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020229997	0	42	-1.0	-60.00	348.90	1.71	-58.29
CN(C)C(=O)CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020229997	1	42	-1.0	-60.03	348.83	1.69	-58.34
CN(C)C(=O)CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020229998	0	48	-1.0	-69.83	370.49	3.44	-66.39
CN(C)C(=O)CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020229998	1	48	-1.0	-69.80	370.44	3.44	-66.36
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229999	0	47	-1.0	-66.33	390.27	5.81	-60.52
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229999	1	47	-1.0	-66.35	390.21	5.78	-60.57
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230000	0	47	-1.0	-59.19	369.05	5.19	-54.00
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230000	1	47	-1.0	-59.20	369.11	5.20	-54.00
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230001	0	44	-1.0	-74.13	354.95	4.32	-69.81
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230001	1	44	-1.0	-74.12	355.01	4.33	-69.79
CSCC[C@H](NC(=O)NC1=CC(N2CCOC2=O)=CC=C1C)C1=N[N-]N=N1	REAL300020230002	0	47	-1.0	-71.54	398.47	4.27	-67.27
CSCC[C@H](NC(=O)NC1=CC(N2CCOC2=O)=CC=C1C)C1=NN=N[N-]1	REAL300020230002	1	47	-1.0	-71.54	398.53	4.28	-67.26
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230003	0	44	-1.0	-63.03	357.32	4.42	-58.61
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230003	1	44	-1.0	-63.09	357.40	4.43	-58.66
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230004	0	50	-1.0	-67.11	377.89	6.07	-61.04
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230004	1	50	-1.0	-67.10	377.94	6.08	-61.02
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OCC1CCOCC1	REAL300020230005	0	53	-1.0	-55.07	414.23	5.35	-49.72
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OCC1CCOCC1	REAL300020230005	1	53	-1.0	-55.13	414.29	5.37	-49.76
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC1CCOCC1	REAL300020230006	0	53	-1.0	-44.61	415.61	5.41	-39.20
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC1CCOCC1	REAL300020230006	1	53	-1.0	-44.58	415.68	5.42	-39.16
O=C(NC1=CC(F)=CC=C1SCC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230007	0	42	-1.0	-48.87	362.69	6.62	-42.25
O=C(NC1=CC(F)=CC=C1SCC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230007	1	42	-1.0	-48.86	362.75	6.64	-42.22
O=C(NC1=CC(F)=CC=C1SCC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020230008	0	39	-1.0	-58.96	346.08	5.71	-53.25
O=C(NC1=CC(F)=CC=C1SCC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020230008	1	39	-1.0	-58.93	346.14	5.72	-53.21
O=C(NC1=CC(F)=CC=C1SCC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020230009	0	39	-1.0	-48.66	347.47	5.75	-42.91
O=C(NC1=CC(F)=CC=C1SCC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020230009	1	39	-1.0	-48.66	347.54	5.76	-42.90
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OCC1CCCCC1	REAL300020230010	0	58	-1.0	-43.00	438.69	8.65	-34.35
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OCC1CCCCC1	REAL300020230010	1	58	-1.0	-43.02	438.75	8.67	-34.35
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OCC1CCCCC1	REAL300020230011	0	55	-1.0	-53.88	423.14	7.77	-46.11
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OCC1CCCCC1	REAL300020230011	1	55	-1.0	-53.90	423.19	7.78	-46.12
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC1CCCCC1	REAL300020230012	0	55	-1.0	-43.29	424.78	7.79	-35.50
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC1CCCCC1	REAL300020230012	1	55	-1.0	-43.34	424.85	7.81	-35.53
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OCC(F)(F)F	REAL300020230013	0	45	-1.0	-44.93	375.05	5.72	-39.21
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OCC(F)(F)F	REAL300020230013	1	45	-1.0	-44.95	375.11	5.74	-39.21
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OCC(F)(F)F	REAL300020230014	0	42	-1.0	-52.59	359.76	4.80	-47.79
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OCC(F)(F)F	REAL300020230014	1	42	-1.0	-52.58	359.81	4.81	-47.77
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC(F)(F)F	REAL300020230015	0	42	-1.0	-44.20	361.15	4.86	-39.34
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC(F)(F)F	REAL300020230015	1	42	-1.0	-44.21	361.22	4.87	-39.34
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OCC(F)(F)F	REAL300020230016	0	48	-1.0	-40.45	387.56	5.89	-34.56
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OCC(F)(F)F	REAL300020230016	1	48	-1.0	-40.45	387.60	5.90	-34.55
CCCN1C=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020230017	0	48	-1.0	-44.89	400.48	8.19	-36.70
CCCN1C=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020230017	1	48	-1.0	-44.88	400.42	8.16	-36.72
CCCN1C=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020230018	0	48	-1.0	-46.50	381.24	7.70	-38.80
CCCN1C=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020230018	1	48	-1.0	-46.52	381.30	7.71	-38.81
CCCN1C=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020230019	0	45	-1.0	-58.48	365.66	6.82	-51.66
CCCN1C=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020230019	1	45	-1.0	-58.47	365.72	6.84	-51.63
CCCN1C=CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C21	REAL300020230020	0	48	-1.0	-51.95	409.16	6.78	-45.17
CCCN1C=CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C21	REAL300020230020	1	48	-1.0	-51.96	409.22	6.80	-45.16
CCCN1C=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020230021	0	45	-1.0	-47.09	367.34	6.83	-40.26
CCCN1C=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020230021	1	45	-1.0	-47.08	367.41	6.85	-40.23
CCCN1C=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020230022	0	51	-1.0	-46.24	395.62	7.90	-38.34
CCCN1C=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020230022	1	51	-1.0	-46.24	395.67	7.91	-38.33
O=C(NC1=CC=C(CC(F)(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230023	0	41	-1.0	-54.38	364.29	6.54	-47.84
O=C(NC1=CC=C(CC(F)(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230023	1	41	-1.0	-54.36	364.23	6.51	-47.85
O=C(NC1=CC=C(CC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230024	0	41	-1.0	-43.75	344.88	6.09	-37.66
O=C(NC1=CC=C(CC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230024	1	41	-1.0	-43.81	344.94	6.11	-37.70
O=C(NC1=CC=C(CC(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230025	0	38	-1.0	-56.94	329.43	5.17	-51.77
O=C(NC1=CC=C(CC(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230025	1	38	-1.0	-56.90	329.49	5.19	-51.71
CSCC[C@H](NC(=O)NC1=CC=C(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020230026	0	41	-1.0	-49.68	373.28	5.12	-44.56
CSCC[C@H](NC(=O)NC1=CC=C(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020230026	1	41	-1.0	-49.69	373.34	5.13	-44.56
O=C(NC1=CC=C(CC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230027	0	38	-1.0	-45.18	331.09	5.20	-39.98
O=C(NC1=CC=C(CC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230027	1	38	-1.0	-45.19	331.16	5.21	-39.98
O=C(NC1=CC=C(CC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230028	0	44	-1.0	-51.80	353.02	6.98	-44.82
O=C(NC1=CC=C(CC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230028	1	44	-1.0	-51.76	353.07	6.99	-44.77
CCSCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230029	0	45	-1.0	-53.19	390.75	7.56	-45.63
CCSCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020230029	1	45	-1.0	-53.17	390.70	7.54	-45.63
CCSCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230030	0	45	-1.0	-46.60	371.78	7.06	-39.54
CCSCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230030	1	45	-1.0	-46.61	371.84	7.07	-39.54
CCSCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230031	0	42	-1.0	-52.70	356.40	6.14	-46.56
CCSCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230031	1	42	-1.0	-52.70	356.45	6.15	-46.55
CCSCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020230032	0	45	-1.0	-46.20	399.62	6.13	-40.07
CCSCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020230032	1	45	-1.0	-46.20	399.68	6.15	-40.05
CCSCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230033	0	42	-1.0	-43.68	357.44	6.21	-37.47
CCSCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230033	1	42	-1.0	-43.70	357.51	6.22	-37.48
CCSCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230034	0	48	-1.0	-48.53	379.75	7.95	-40.58
CCSCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230034	1	48	-1.0	-48.51	379.80	7.96	-40.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=C(F)C(F)=C1	REAL300020230035	0	35	-1.0	-41.63	322.31	4.94	-36.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=C(F)C(F)=C1	REAL300020230035	1	35	-1.0	-41.59	322.26	4.91	-36.68
O=C(NC1=CC(F)=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230036	0	35	-1.0	-42.93	303.07	4.46	-38.47
O=C(NC1=CC(F)=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230036	1	35	-1.0	-42.92	303.13	4.48	-38.44
O=C(NC1=CC(F)=C(F)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230037	0	32	-1.0	-50.22	287.33	3.58	-46.64
O=C(NC1=CC(F)=C(F)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230037	1	32	-1.0	-50.21	287.39	3.59	-46.62
CSCC[C@H](NC(=O)NC1=CC(F)=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020230038	0	35	-1.0	-45.53	331.02	3.54	-41.99
CSCC[C@H](NC(=O)NC1=CC(F)=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020230038	1	35	-1.0	-45.52	331.08	3.55	-41.97
O=C(NC1=CC(F)=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230039	0	32	-1.0	-42.92	288.86	3.62	-39.30
O=C(NC1=CC(F)=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230039	1	32	-1.0	-42.93	288.93	3.64	-39.29
O=C(NC1=CC(F)=C(F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230040	0	38	-1.0	-47.84	311.01	5.47	-42.37
O=C(NC1=CC(F)=C(F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230040	1	38	-1.0	-47.87	311.06	5.48	-42.39
CCOC(=O)CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230041	0	47	-1.0	-45.64	401.66	7.19	-38.45
CCOC(=O)CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020230041	1	47	-1.0	-45.67	401.61	7.17	-38.50
CCOC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230042	0	47	-1.0	-49.81	383.01	6.65	-43.16
CCOC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230042	1	47	-1.0	-49.81	383.07	6.66	-43.15
CCOC(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230043	0	44	-1.0	-59.53	367.28	5.75	-53.78
CCOC(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230043	1	44	-1.0	-59.54	367.34	5.76	-53.78
CCOC(=O)CC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020230044	0	47	-1.0	-49.59	410.82	5.73	-43.86
CCOC(=O)CC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020230044	1	47	-1.0	-49.52	410.88	5.74	-43.78
CCOC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230045	0	44	-1.0	-47.34	368.67	5.80	-41.54
CCOC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230045	1	44	-1.0	-47.35	368.74	5.81	-41.54
CCOC(=O)CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230046	0	50	-1.0	-49.61	397.35	6.83	-42.78
CCOC(=O)CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230046	1	50	-1.0	-49.66	397.40	6.85	-42.81
O=C(NC1=CN(CC(F)(F)F)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230047	0	38	-1.0	-48.78	344.73	3.90	-44.88
O=C(NC1=CN(CC(F)(F)F)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230047	1	38	-1.0	-48.74	344.68	3.87	-44.87
O=C(NC1=CN(CC(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230048	0	38	-1.0	-49.58	325.54	3.44	-46.14
O=C(NC1=CN(CC(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230048	1	38	-1.0	-49.56	325.48	3.42	-46.14
O=C(NC1=CN(CC(F)(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230049	0	35	-1.0	-61.84	310.09	2.51	-59.33
O=C(NC1=CN(CC(F)(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230049	1	35	-1.0	-61.82	310.03	2.50	-59.32
CSCC[C@H](NC(=O)NC1=CN(CC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300020230050	0	38	-1.0	-53.42	353.72	2.48	-50.94
CSCC[C@H](NC(=O)NC1=CN(CC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300020230050	1	38	-1.0	-53.45	353.66	2.47	-50.98
O=C(NC1=CN(CC(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230051	0	35	-1.0	-51.26	311.58	2.56	-48.70
O=C(NC1=CN(CC(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230051	1	35	-1.0	-51.23	311.51	2.54	-48.69
O=C(NC1=CN(CC(F)(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230052	0	41	-1.0	-57.77	333.55	4.31	-53.46
O=C(NC1=CN(CC(F)(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230052	1	41	-1.0	-57.74	333.51	4.31	-53.43
CC(C)SC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230053	0	45	-1.0	-39.90	378.35	7.67	-32.23
CC(C)SC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230053	1	45	-1.0	-39.91	378.40	7.69	-32.22
CC(C)SC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230054	0	42	-1.0	-50.10	361.52	6.48	-43.62
CC(C)SC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230054	1	42	-1.0	-50.10	361.58	6.50	-43.60
CC(C)SC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230055	0	42	-1.0	-40.24	365.03	6.81	-33.43
CC(C)SC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230055	1	42	-1.0	-40.25	365.10	6.82	-33.43
CC(C)SC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230056	0	48	-1.0	-45.74	384.60	8.24	-37.50
CC(C)SC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230056	1	48	-1.0	-45.77	384.65	8.25	-37.52
CC(C)SCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230057	0	48	-1.0	-53.03	409.03	8.20	-44.83
CC(C)SCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020230057	1	48	-1.0	-53.03	408.97	8.18	-44.85
CC(C)SCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230058	0	48	-1.0	-44.76	390.04	7.70	-37.06
CC(C)SCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230058	1	48	-1.0	-44.81	390.10	7.71	-37.10
CC(C)SCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230059	0	45	-1.0	-52.58	374.67	6.78	-45.80
CC(C)SCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230059	1	45	-1.0	-52.58	374.73	6.79	-45.79
CSCC[C@H](NC(=O)NC1=CC=CC(CSC(C)C)=C1)C1=N[N-]N=N1	REAL300020230060	0	48	-1.0	-46.06	417.90	6.77	-39.29
CSCC[C@H](NC(=O)NC1=CC=CC(CSC(C)C)=C1)C1=NN=N[N-]1	REAL300020230060	1	48	-1.0	-46.11	417.95	6.79	-39.32
CC(C)SCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230061	0	45	-1.0	-43.47	375.71	6.85	-36.62
CC(C)SCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230061	1	45	-1.0	-43.50	375.79	6.86	-36.64
CC(C)SCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230062	0	51	-1.0	-48.41	398.02	8.58	-39.83
CC(C)SCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230062	1	51	-1.0	-48.37	398.08	8.60	-39.77
N#CC1=CC=C(OC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)N=C1	REAL300020230063	0	46	-1.0	-48.94	390.95	5.14	-43.80
N#CC1=CC=C(OC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)N=C1	REAL300020230063	1	46	-1.0	-48.97	390.89	5.13	-43.84
N#CC1=CC=C(OC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)N=C1	REAL300020230064	0	43	-1.0	-62.29	375.95	4.20	-58.09
N#CC1=CC=C(OC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)N=C1	REAL300020230064	1	43	-1.0	-62.20	375.89	4.18	-58.02
N#CC1=CC=C(OC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)N=C1	REAL300020230065	0	43	-1.0	-49.91	376.86	4.22	-45.69
N#CC1=CC=C(OC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)N=C1	REAL300020230065	1	43	-1.0	-49.89	376.79	4.21	-45.68
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020230066	0	44	-2.0	-101.08	384.68	3.92	-97.16
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020230066	1	44	-2.0	-101.12	384.74	3.93	-97.19
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020230067	0	41	-2.0	-124.80	368.87	2.82	-121.98
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020230067	1	41	-2.0	-124.74	368.94	2.82	-121.92
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020230068	0	41	-2.0	-103.32	369.64	2.86	-100.46
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020230068	1	41	-2.0	-103.33	369.71	2.87	-100.46
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020230069	0	47	-2.0	-121.03	393.30	4.91	-116.12
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020230069	1	47	-2.0	-121.10	393.35	4.91	-116.19
O=C(NC1=CN(C2=CC=CC=C2Cl)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230070	0	42	-1.0	-48.08	373.47	6.67	-41.41
O=C(NC1=CN(C2=CC=CC=C2Cl)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230070	1	42	-1.0	-48.07	373.41	6.65	-41.42
O=C(NC1=CN(C2=CC=CC=C2Cl)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230071	0	42	-1.0	-49.85	354.27	6.19	-43.66
O=C(NC1=CN(C2=CC=CC=C2Cl)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230071	1	42	-1.0	-49.82	354.22	6.18	-43.64
O=C(NC1=CN(C2=CC=CC=C2Cl)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230072	0	39	-1.0	-61.46	338.84	5.30	-56.16
O=C(NC1=CN(C2=CC=CC=C2Cl)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230072	1	39	-1.0	-61.49	338.78	5.28	-56.21
CSCC[C@H](NC(=O)NC1=CN(C2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL300020230073	0	42	-1.0	-53.83	382.45	5.26	-48.57
CSCC[C@H](NC(=O)NC1=CN(C2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL300020230073	1	42	-1.0	-53.84	382.39	5.24	-48.60
O=C(NC1=CN(C2=CC=CC=C2Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230074	0	39	-1.0	-50.54	340.32	5.33	-45.21
O=C(NC1=CN(C2=CC=CC=C2Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230074	1	39	-1.0	-50.52	340.24	5.32	-45.20
O=C(NC1=CN(C2=CC=CC=C2Cl)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230075	0	45	-1.0	-57.84	362.25	7.09	-50.75
O=C(NC1=CN(C2=CC=CC=C2Cl)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230075	1	45	-1.0	-57.82	362.21	7.08	-50.74
O=C(NC1=CN(CC(F)F)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230076	0	38	-1.0	-45.79	339.85	3.67	-42.12
O=C(NC1=CN(CC(F)F)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230076	1	38	-1.0	-45.79	339.79	3.65	-42.14
O=C(NC1=CN(CC(F)F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230077	0	38	-1.0	-46.70	320.66	3.22	-43.48
O=C(NC1=CN(CC(F)F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230077	1	38	-1.0	-46.69	320.60	3.20	-43.49
O=C(NC1=CN(CC(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230078	0	35	-1.0	-58.12	305.21	2.29	-55.83
O=C(NC1=CN(CC(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230078	1	35	-1.0	-58.13	305.15	2.28	-55.85
CSCC[C@H](NC(=O)NC1=CN(CC(F)F)N=C1)C1=NN=N[N-]1	REAL300020230079	0	38	-1.0	-50.25	348.83	2.26	-47.99
CSCC[C@H](NC(=O)NC1=CN(CC(F)F)N=C1)C1=N[N-]N=N1	REAL300020230079	1	38	-1.0	-50.23	348.77	2.25	-47.98
O=C(NC1=CN(CC(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230080	0	35	-1.0	-47.95	306.70	2.34	-45.61
O=C(NC1=CN(CC(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230080	1	35	-1.0	-47.93	306.62	2.32	-45.61
O=C(NC1=CN(CC(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230081	0	41	-1.0	-53.84	328.67	4.09	-49.75
O=C(NC1=CN(CC(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230081	1	41	-1.0	-53.86	328.62	4.08	-49.78
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OCC[NH+](C)C)=C1	REAL300020230082	0	54	0.0	-65.91	430.76	7.24	-58.67
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OCC[NH+](C)C)=C1	REAL300020230082	1	54	0.0	-65.97	430.81	7.27	-58.70
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OCC[NH+](C)C)=C1	REAL300020230083	0	54	0.0	-71.07	411.90	6.78	-64.29
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OCC[NH+](C)C)=C1	REAL300020230083	1	54	0.0	-71.09	411.96	6.80	-64.29
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OCC[NH+](C)C)=C1	REAL300020230084	0	51	0.0	-78.58	396.64	5.84	-72.74
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OCC[NH+](C)C)=C1	REAL300020230084	1	51	0.0	-78.56	396.70	5.87	-72.69
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1OCC[NH+](C)C)C1=N[N-]N=N1	REAL300020230085	0	54	0.0	-74.80	440.17	5.80	-69.00
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1OCC[NH+](C)C)C1=NN=N[N-]1	REAL300020230085	1	54	0.0	-74.77	440.23	5.82	-68.95
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCC[NH+](C)C)=C1	REAL300020230086	0	51	0.0	-69.30	398.81	5.89	-63.41
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCC[NH+](C)C)=C1	REAL300020230086	1	51	0.0	-69.26	398.89	5.90	-63.36
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OCC[NH+](C)C)=C1	REAL300020230087	0	57	0.0	-74.70	420.45	7.75	-66.95
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OCC[NH+](C)C)=C1	REAL300020230087	1	57	0.0	-74.69	420.50	7.75	-66.94
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1S(N)(=O)=O	REAL300020230088	0	43	-1.0	-70.88	372.97	0.47	-70.41
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1S(N)(=O)=O	REAL300020230088	1	43	-1.0	-70.86	372.92	0.45	-70.41
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1S(N)(=O)=O	REAL300020230089	0	43	-1.0	-48.71	353.80	-0.02	-48.73
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1S(N)(=O)=O	REAL300020230089	1	43	-1.0	-48.69	353.85	0.00	-48.69
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1S(N)(=O)=O	REAL300020230090	0	40	-1.0	-62.14	338.07	-0.97	-63.11
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1S(N)(=O)=O	REAL300020230090	1	40	-1.0	-62.16	338.13	-0.96	-63.12
CSCC[C@H](NC(=O)NC1=CC=C(C)C(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020230091	0	43	-1.0	-55.30	380.95	-0.95	-56.25
CSCC[C@H](NC(=O)NC1=CC=C(C)C(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020230091	1	43	-1.0	-55.33	381.00	-0.94	-56.27
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(N)(=O)=O	REAL300020230092	0	40	-1.0	-56.28	339.47	-0.84	-57.12
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(N)(=O)=O	REAL300020230092	1	40	-1.0	-56.31	339.54	-0.83	-57.14
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1S(N)(=O)=O	REAL300020230093	0	46	-1.0	-49.48	365.81	0.12	-49.36
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1S(N)(=O)=O	REAL300020230093	1	46	-1.0	-49.46	365.86	0.13	-49.33
CC1=CC(S(N)(=O)=O)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020230094	0	46	-1.0	-52.65	372.30	0.62	-52.03
CC1=CC(S(N)(=O)=O)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020230094	1	46	-1.0	-52.65	372.36	0.63	-52.02
CC1=CC(S(N)(=O)=O)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020230095	0	43	-1.0	-65.53	357.47	-0.29	-65.82
CC1=CC(S(N)(=O)=O)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020230095	1	43	-1.0	-65.56	357.53	-0.26	-65.82
CSCC[C@H](NC(=O)NC1=CC(S(N)(=O)=O)=CC(C)=C1C)C1=N[N-]N=N1	REAL300020230096	0	46	-1.0	-51.63	402.04	-0.26	-51.89
CSCC[C@H](NC(=O)NC1=CC(S(N)(=O)=O)=CC(C)=C1C)C1=NN=N[N-]1	REAL300020230096	1	46	-1.0	-51.59	402.10	-0.24	-51.83
CC1=CC(S(N)(=O)=O)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020230097	0	43	-1.0	-54.42	358.87	-0.24	-54.66
CC1=CC(S(N)(=O)=O)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020230097	1	43	-1.0	-54.43	358.95	-0.22	-54.65
CC1=CC(S(N)(=O)=O)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020230098	0	49	-1.0	-63.29	381.28	1.61	-61.68
CC1=CC(S(N)(=O)=O)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020230098	1	49	-1.0	-63.31	381.33	1.62	-61.69
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC(OC2=CC=CC=C2)=C1	REAL300020230099	0	45	-1.0	-47.31	389.77	5.17	-42.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC(OC2=CC=CC=C2)=C1	REAL300020230099	1	45	-1.0	-47.32	389.71	5.14	-42.18
O=C(NC1=CC=NC(OC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230100	0	45	-1.0	-44.46	369.66	4.67	-39.79
O=C(NC1=CC=NC(OC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230100	1	45	-1.0	-44.46	369.60	4.66	-39.80
O=C(NC1=CC=NC(OC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230101	0	42	-1.0	-59.63	354.65	3.83	-55.80
O=C(NC1=CC=NC(OC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230101	1	42	-1.0	-59.61	354.59	3.81	-55.80
CSCC[C@H](NC(=O)NC1=CC=NC(OC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020230102	0	45	-1.0	-51.79	398.36	3.78	-48.01
CSCC[C@H](NC(=O)NC1=CC=NC(OC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020230102	1	45	-1.0	-51.78	398.30	3.76	-48.02
O=C(NC1=CC=NC(OC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230103	0	42	-1.0	-44.03	355.69	3.87	-40.16
O=C(NC1=CC=NC(OC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230103	1	42	-1.0	-44.07	355.61	3.86	-40.21
O=C(NC1=CC=NC(OC2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230104	0	48	-1.0	-44.78	379.21	4.97	-39.81
O=C(NC1=CC=NC(OC2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230104	1	48	-1.0	-44.82	379.17	4.97	-39.85
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N(C2=CC=CC=C2)N=C1C(C)(C)C	REAL300020230105	0	54	-1.0	-55.56	414.54	8.20	-47.36
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N(C2=CC=CC=C2)N=C1C(C)(C)C	REAL300020230105	1	54	-1.0	-55.57	414.48	8.18	-47.39
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N(C2=CC=CC=C2)N=C1C(C)(C)C	REAL300020230106	0	54	-1.0	-45.12	415.59	8.25	-36.87
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N(C2=CC=CC=C2)N=C1C(C)(C)C	REAL300020230106	1	54	-1.0	-45.11	415.52	8.24	-36.87
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C(C)N1	REAL300020230107	0	42	-1.0	-44.57	361.47	3.88	-40.69
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C(C)N1	REAL300020230107	1	42	-1.0	-44.55	361.41	3.85	-40.70
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(C)N1	REAL300020230108	0	42	-1.0	-45.85	342.23	3.39	-42.46
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(C)N1	REAL300020230108	1	42	-1.0	-45.87	342.29	3.41	-42.46
COC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C(C)N1	REAL300020230109	0	39	-1.0	-54.80	326.77	2.48	-52.32
COC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C(C)N1	REAL300020230109	1	39	-1.0	-54.79	326.83	2.49	-52.30
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C(C)N1	REAL300020230110	0	42	-1.0	-48.74	370.39	2.44	-46.30
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C(C)N1	REAL300020230110	1	42	-1.0	-48.74	370.45	2.45	-46.29
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(C)N1	REAL300020230111	0	39	-1.0	-44.80	328.25	2.52	-42.28
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(C)N1	REAL300020230111	1	39	-1.0	-44.86	328.32	2.54	-42.32
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C)N1	REAL300020230112	0	45	-1.0	-50.12	350.24	4.26	-45.86
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C)N1	REAL300020230112	1	45	-1.0	-50.15	350.28	4.28	-45.87
CCN1N=NN=C1C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230113	0	46	-1.0	-71.50	388.24	4.97	-66.53
CCN1N=NN=C1C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020230113	1	46	-1.0	-71.49	388.19	4.95	-66.54
CCN1N=NN=C1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230114	0	46	-1.0	-54.33	369.04	4.44	-49.89
CCN1N=NN=C1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230114	1	46	-1.0	-54.37	369.10	4.46	-49.91
CCN1N=NN=C1C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230115	0	43	-1.0	-73.66	353.50	3.58	-70.08
CCN1N=NN=C1C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230115	1	43	-1.0	-73.66	353.56	3.60	-70.06
CCN1N=NN=C1C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020230116	0	46	-1.0	-57.56	396.91	3.53	-54.03
CCN1N=NN=C1C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020230116	1	46	-1.0	-57.65	396.97	3.54	-54.11
CCN1N=NN=C1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230117	0	43	-1.0	-57.96	354.84	3.63	-54.33
CCN1N=NN=C1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230117	1	43	-1.0	-57.93	354.91	3.64	-54.29
CCN1N=NN=C1C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230118	0	49	-1.0	-48.79	384.24	4.65	-44.14
CCN1N=NN=C1C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230118	1	49	-1.0	-48.75	384.30	4.65	-44.10
CC(=O)N(C)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230119	0	45	-1.0	-62.12	369.58	5.09	-57.03
CC(=O)N(C)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020230119	1	45	-1.0	-62.12	369.53	5.07	-57.05
CC(=O)N(C)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230120	0	45	-1.0	-50.51	352.27	4.48	-46.03
CC(=O)N(C)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230120	1	45	-1.0	-50.54	352.33	4.49	-46.05
CC(=O)N(C)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230121	0	42	-1.0	-60.28	335.38	3.66	-56.62
CC(=O)N(C)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230121	1	42	-1.0	-60.31	335.44	3.68	-56.63
CSCC[C@H](NC(=O)NC1=CC=CC(N(C)C(C)=O)=C1)C1=N[N-]N=N1	REAL300020230122	0	45	-1.0	-53.55	390.17	3.96	-49.59
CSCC[C@H](NC(=O)NC1=CC=CC(N(C)C(C)=O)=C1)C1=NN=N[N-]1	REAL300020230122	1	45	-1.0	-53.55	390.23	3.98	-49.57
CC(=O)N(C)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230123	0	42	-1.0	-50.66	336.70	3.71	-46.95
CC(=O)N(C)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230123	1	42	-1.0	-50.65	336.77	3.72	-46.93
CC(=O)N(C)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230124	0	48	-1.0	-56.91	359.11	5.45	-51.46
CC(=O)N(C)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230124	1	48	-1.0	-56.91	359.17	5.45	-51.46
O=C(NC1=CN(CCN2CCOCC2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230125	0	51	-1.0	-46.60	415.13	1.84	-44.76
O=C(NC1=CN(CCN2CCOCC2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230125	1	51	-1.0	-46.62	415.19	1.87	-44.75
O=C(NC1=CN(CCN2CCOCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230126	0	51	-1.0	-47.69	395.95	1.39	-46.30
O=C(NC1=CN(CCN2CCOCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230126	1	51	-1.0	-47.68	396.00	1.41	-46.27
O=C(NC1=CN(CCN2CCOCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230127	0	48	-1.0	-59.26	380.51	0.47	-58.79
O=C(NC1=CN(CCN2CCOCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230127	1	48	-1.0	-59.28	380.57	0.50	-58.78
CSCC[C@H](NC(=O)NC1=CN(CCN2CCOCC2)N=C1)C1=N[N-]N=N1	REAL300020230128	0	51	-1.0	-51.91	424.12	0.44	-51.47
CSCC[C@H](NC(=O)NC1=CN(CCN2CCOCC2)N=C1)C1=NN=N[N-]1	REAL300020230128	1	51	-1.0	-51.92	424.18	0.45	-51.47
O=C(NC1=CN(CCN2CCOCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230129	0	48	-1.0	-48.91	381.98	0.53	-48.38
O=C(NC1=CN(CCN2CCOCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230129	1	48	-1.0	-48.92	382.05	0.53	-48.39
O=C(NC1=CN(CCN2CCOCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230130	0	54	-1.0	-55.45	403.97	2.28	-53.17
O=C(NC1=CN(CCN2CCOCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230130	1	54	-1.0	-55.48	404.01	2.28	-53.20
CC(C)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020230131	0	51	-1.0	-48.80	415.05	7.09	-41.71
CC(C)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020230131	1	51	-1.0	-48.79	415.11	7.11	-41.68
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020230132	0	51	-1.0	-43.62	394.53	6.62	-37.00
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020230132	1	51	-1.0	-43.63	394.59	6.64	-36.99
CC(C)CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020230133	0	48	-1.0	-56.22	380.40	5.71	-50.51
CC(C)CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020230133	1	48	-1.0	-56.21	380.46	5.73	-50.48
CSCC[C@H](NC(=O)NC1=CC=C(OCCC(C)C)C=C1)C1=N[N-]N=N1	REAL300020230134	0	51	-1.0	-48.05	424.22	5.64	-42.41
CSCC[C@H](NC(=O)NC1=CC=C(OCCC(C)C)C=C1)C1=NN=N[N-]1	REAL300020230134	1	51	-1.0	-48.07	424.27	5.66	-42.41
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020230135	0	48	-1.0	-43.67	382.10	5.75	-37.92
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020230135	1	48	-1.0	-43.67	382.18	5.76	-37.91
CC(C)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020230136	0	54	-1.0	-49.16	403.98	7.51	-41.65
CC(C)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020230136	1	54	-1.0	-49.17	404.03	7.52	-41.65
O=C(NC1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230137	0	48	-1.0	-50.15	384.98	3.48	-46.67
O=C(NC1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230137	1	48	-1.0	-50.18	385.04	3.50	-46.68
O=C(NC1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230138	0	45	-1.0	-59.22	370.51	2.51	-56.71
O=C(NC1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230138	1	45	-1.0	-59.24	370.56	2.53	-56.71
O=C(NC1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230139	0	45	-1.0	-50.14	371.87	2.56	-47.58
O=C(NC1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230139	1	45	-1.0	-50.17	371.94	2.57	-47.60
O=C(NC1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230140	0	51	-1.0	-50.51	398.28	3.60	-46.91
O=C(NC1=CC=C(CC2CC(=O)NC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230140	1	51	-1.0	-50.59	398.33	3.62	-46.97
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1N1CCOC1=O	REAL300020230141	0	48	-1.0	-57.43	389.39	4.18	-53.25
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1N1CCOC1=O	REAL300020230141	1	48	-1.0	-57.47	389.44	4.19	-53.28
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1N1CCOC1=O	REAL300020230142	0	45	-1.0	-70.81	373.83	3.29	-67.52
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1N1CCOC1=O	REAL300020230142	1	45	-1.0	-70.83	373.89	3.31	-67.52
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1CCOC1=O	REAL300020230143	0	45	-1.0	-54.56	375.19	3.35	-51.21
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1CCOC1=O	REAL300020230143	1	45	-1.0	-54.55	375.27	3.35	-51.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(C2=CC=CO2)=CC=C1F	REAL300020230144	0	42	-1.0	-57.33	367.45	6.59	-50.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(C2=CC=CO2)=CC=C1F	REAL300020230144	1	42	-1.0	-57.34	367.39	6.56	-50.78
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230145	0	42	-1.0	-46.67	347.99	6.10	-40.57
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230145	1	42	-1.0	-46.67	348.04	6.12	-40.55
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020230146	0	39	-1.0	-60.16	334.10	5.20	-54.96
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020230146	1	39	-1.0	-60.15	334.16	5.22	-54.93
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CO2)=CC=C1F)C1=N[N-]N=N1	REAL300020230147	0	42	-1.0	-50.59	377.64	5.17	-45.42
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CO2)=CC=C1F)C1=NN=N[N-]1	REAL300020230147	1	42	-1.0	-50.59	377.70	5.19	-45.40
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020230148	0	39	-1.0	-47.31	334.66	5.25	-42.06
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020230148	1	39	-1.0	-47.36	334.73	5.26	-42.10
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020230149	0	45	-1.0	-53.00	356.76	6.99	-46.01
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020230149	1	45	-1.0	-53.00	356.82	6.99	-46.01
CCCN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020230150	0	41	-1.0	-45.74	348.35	4.15	-41.59
CCCN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020230150	1	41	-1.0	-45.71	348.30	4.13	-41.58
CCCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020230151	0	41	-1.0	-46.98	329.16	3.70	-43.28
CCCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020230151	1	41	-1.0	-47.01	329.11	3.68	-43.33
CCCN1C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020230152	0	41	-1.0	-51.36	357.33	2.74	-48.62
CCCN1C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020230152	1	41	-1.0	-51.31	357.28	2.73	-48.58
CCCN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020230153	0	44	-1.0	-55.07	337.17	4.57	-50.50
CCCN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020230153	1	44	-1.0	-55.05	337.13	4.57	-50.48
CCOCCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020230154	0	55	-1.0	-46.25	428.08	6.13	-40.12
CCOCCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020230154	1	55	-1.0	-46.23	428.14	6.14	-40.09
CCOCCOCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020230155	0	52	-1.0	-56.51	413.46	5.24	-51.27
CCOCCOCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020230155	1	52	-1.0	-56.53	413.52	5.25	-51.28
CCOCCOCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020230156	0	52	-1.0	-47.32	414.82	5.29	-42.03
CCOCCOCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020230156	1	52	-1.0	-47.30	414.89	5.31	-41.99
CC1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230157	0	38	-1.0	-42.50	326.92	5.76	-36.74
CC1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230157	1	38	-1.0	-42.51	326.86	5.73	-36.78
CC1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230158	0	38	-1.0	-41.88	306.63	5.21	-36.67
CC1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230158	1	38	-1.0	-41.88	306.69	5.23	-36.65
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1C)C1=N[N-]N=N1	REAL300020230159	0	38	-1.0	-44.63	335.13	4.23	-40.40
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1C)C1=NN=N[N-]1	REAL300020230159	1	38	-1.0	-44.61	335.18	4.25	-40.36
CC1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230160	0	41	-1.0	-46.83	315.24	6.04	-40.79
CC1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230160	1	41	-1.0	-46.79	315.29	6.04	-40.75
NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020230161	0	39	-1.0	-44.11	342.28	1.68	-42.43
NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020230161	1	39	-1.0	-44.06	342.22	1.66	-42.40
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020230162	0	39	-1.0	-46.64	324.21	1.21	-45.43
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020230162	1	39	-1.0	-46.71	324.27	1.22	-45.49
NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020230163	0	36	-1.0	-50.65	308.79	0.29	-50.36
NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020230163	1	36	-1.0	-50.68	308.84	0.31	-50.37
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)C=C1F)C1=N[N-]N=N1	REAL300020230164	0	39	-1.0	-45.47	352.32	0.27	-45.20
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)C=C1F)C1=NN=N[N-]1	REAL300020230164	1	39	-1.0	-45.47	352.38	0.28	-45.19
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020230165	0	36	-1.0	-46.40	309.33	0.35	-46.05
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020230165	1	36	-1.0	-46.39	309.40	0.36	-46.03
NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020230166	0	42	-1.0	-48.73	331.79	2.18	-46.55
NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020230166	1	42	-1.0	-48.74	331.84	2.18	-46.56
CCC1=NN=C(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)O1	REAL300020230167	0	46	-1.0	-52.06	397.20	2.25	-49.81
CCC1=NN=C(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)O1	REAL300020230167	1	46	-1.0	-52.10	397.14	2.22	-49.88
CCC1=NN=C(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)O1	REAL300020230168	0	46	-1.0	-46.49	378.27	1.73	-44.76
CCC1=NN=C(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)O1	REAL300020230168	1	46	-1.0	-46.51	378.33	1.74	-44.77
CCC1=NN=C(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)O1	REAL300020230169	0	43	-1.0	-57.32	363.12	0.78	-56.54
CCC1=NN=C(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)O1	REAL300020230169	1	43	-1.0	-57.30	363.18	0.80	-56.50
CCC1=NN=C(C2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2)O1	REAL300020230170	0	46	-1.0	-53.74	406.65	0.74	-53.00
CCC1=NN=C(C2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2)O1	REAL300020230170	1	46	-1.0	-53.76	406.71	0.76	-53.00
CCC1=NN=C(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)O1	REAL300020230171	0	43	-1.0	-49.00	364.51	0.82	-48.18
CCC1=NN=C(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)O1	REAL300020230171	1	43	-1.0	-49.00	364.58	0.83	-48.17
CCC1=NN=C(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)O1	REAL300020230172	0	49	-1.0	-42.66	390.85	1.84	-40.82
CCC1=NN=C(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)O1	REAL300020230172	1	49	-1.0	-42.64	390.89	1.86	-40.78
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1NS(C)(=O)=O	REAL300020230173	0	47	-1.0	-48.21	385.83	0.34	-47.87
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1NS(C)(=O)=O	REAL300020230173	1	47	-1.0	-48.26	385.88	0.36	-47.90
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N-]S(C)(=O)=O	REAL300020230173	1	46	-2.0	-92.15	383.72	0.39	-91.76
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N-]S(C)(=O)=O	REAL300020230173	1	46	-2.0	-92.10	383.78	0.40	-91.70
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1NS(C)(=O)=O	REAL300020230174	0	44	-1.0	-57.51	370.47	-0.56	-58.07
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1NS(C)(=O)=O	REAL300020230174	1	44	-1.0	-57.51	370.53	-0.54	-58.05
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1[N-]S(C)(=O)=O	REAL300020230174	1	43	-2.0	-109.27	368.30	-0.51	-109.78
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1[N-]S(C)(=O)=O	REAL300020230174	1	43	-2.0	-109.28	368.36	-0.49	-109.77
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1NS(C)(=O)=O	REAL300020230175	0	44	-1.0	-49.43	372.13	-0.51	-49.94
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1NS(C)(=O)=O	REAL300020230175	1	44	-1.0	-49.41	372.20	-0.51	-49.92
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N-]S(C)(=O)=O	REAL300020230175	1	43	-2.0	-91.69	369.72	-0.46	-92.15
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N-]S(C)(=O)=O	REAL300020230175	1	43	-2.0	-91.63	369.79	-0.46	-92.09
CC(C)N1C=C2C=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC2=N1	REAL300020230176	0	47	-1.0	-47.99	392.40	6.12	-41.87
CC(C)N1C=C2C=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC2=N1	REAL300020230176	1	47	-1.0	-47.98	392.35	6.10	-41.88
CC(C)N1C=C2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC2=N1	REAL300020230177	0	47	-1.0	-50.14	373.22	5.66	-44.48
CC(C)N1C=C2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC2=N1	REAL300020230177	1	47	-1.0	-50.13	373.16	5.64	-44.49
CC(C)N1C=C2C=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC2=N1	REAL300020230178	0	44	-1.0	-59.60	357.94	4.73	-54.87
CC(C)N1C=C2C=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC2=N1	REAL300020230178	1	44	-1.0	-59.61	357.88	4.73	-54.88
CSCC[C@H](NC(=O)NC1=CC2=CN(C(C)C)N=C2C=C1)C1=NN=N[N-]1	REAL300020230179	0	47	-1.0	-55.13	401.13	4.74	-50.39
CSCC[C@H](NC(=O)NC1=CC2=CN(C(C)C)N=C2C=C1)C1=N[N-]N=N1	REAL300020230179	1	47	-1.0	-55.16	401.07	4.73	-50.43
CC(C)N1C=C2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC2=N1	REAL300020230180	0	44	-1.0	-50.67	359.32	4.79	-45.88
CC(C)N1C=C2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC2=N1	REAL300020230180	1	44	-1.0	-50.64	359.25	4.79	-45.85
CC(C)N1C=C2C=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC2=N1	REAL300020230181	0	50	-1.0	-45.67	385.40	5.80	-39.87
CC(C)N1C=C2C=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC2=N1	REAL300020230181	1	50	-1.0	-45.69	385.37	5.79	-39.90
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230182	0	40	-2.0	-88.21	362.56	4.98	-83.23
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230182	1	40	-2.0	-88.24	362.50	4.96	-83.28
O=C(NC1=CC(C2=CC=CC=C2)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230182	1	41	-1.0	-51.53	365.83	6.16	-45.37
O=C(NC1=CC(C2=CC=CC=C2)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230182	1	41	-1.0	-51.54	365.77	6.14	-45.40
O=C(NC1=CC(C2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230183	0	41	-1.0	-45.23	346.62	5.70	-39.53
O=C(NC1=CC(C2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230183	1	41	-1.0	-45.19	346.56	5.69	-39.50
O=C(NC1=CC(C2=CC=CC=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020230184	0	38	-1.0	-55.30	331.18	4.78	-50.52
O=C(NC1=CC(C2=CC=CC=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020230184	1	38	-1.0	-55.30	331.12	4.77	-50.53
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CC=C2)=NS1)C1=NN=N[N-]1	REAL300020230185	0	41	-1.0	-48.27	374.79	4.75	-43.52
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CC=C2)=NS1)C1=N[N-]N=N1	REAL300020230185	1	41	-1.0	-48.26	374.74	4.73	-43.53
O=C(NC1=CC(C2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230186	0	38	-1.0	-45.55	332.67	4.83	-40.72
O=C(NC1=CC(C2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230186	1	38	-1.0	-45.52	332.60	4.83	-40.69
O=C(NC1=CC(C2=CC=CC=C2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230187	0	44	-1.0	-52.04	354.86	6.55	-45.49
O=C(NC1=CC(C2=CC=CC=C2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230187	1	44	-1.0	-52.04	354.80	6.55	-45.49
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230188	0	51	0.0	-99.43	412.23	3.72	-95.71
CN(C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230188	1	50	-1.0	-52.21	411.40	1.33	-50.88
CN(C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230188	1	50	-1.0	-52.19	411.46	1.36	-50.83
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230189	0	51	0.0	-86.53	394.56	3.22	-83.31
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230189	1	51	0.0	-86.62	394.62	3.23	-83.39
CN(C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230189	1	50	-1.0	-55.45	391.37	0.64	-54.81
CN(C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230189	1	50	-1.0	-55.43	391.43	0.66	-54.77
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230190	0	48	0.0	-101.69	378.72	2.43	-99.26
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230190	1	48	0.0	-101.74	378.78	2.44	-99.30
CN(C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230190	1	47	-1.0	-72.02	377.55	-0.03	-72.05
CN(C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230190	1	47	-1.0	-72.04	377.61	-0.02	-72.06
CSCC[C@H](NC(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C)C1=N[N-]N=N1	REAL300020230191	0	51	0.0	-78.92	420.89	2.43	-76.49
CSCC[C@H](NC(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C)C1=NN=N[N-]1	REAL300020230191	1	51	0.0	-78.93	420.95	2.45	-76.48
CSCC[C@H](NC(=O)NC1=CC(C(N)=O)=CC=C1CN(C)C)C1=N[N-]N=N1	REAL300020230191	1	50	-1.0	-57.07	421.09	-0.08	-57.15
CSCC[C@H](NC(=O)NC1=CC(C(N)=O)=CC=C1CN(C)C)C1=NN=N[N-]1	REAL300020230191	1	50	-1.0	-57.08	421.15	-0.06	-57.14
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230192	0	48	0.0	-85.41	380.19	2.37	-83.04
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230192	1	48	0.0	-85.35	380.26	2.39	-82.96
CN(C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230192	1	47	-1.0	-55.72	368.41	0.05	-55.67
CN(C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230192	1	47	-1.0	-55.73	368.49	0.07	-55.66
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230193	0	54	0.0	-75.15	395.52	4.35	-70.80
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230193	1	54	0.0	-75.12	395.57	4.37	-70.75
CN(C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230193	1	53	-1.0	-62.41	400.47	1.55	-60.86
CN(C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230193	1	53	-1.0	-62.36	400.52	1.55	-60.81
CC1=NN=C(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)O1	REAL300020230194	0	43	-1.0	-52.60	375.71	1.49	-51.11
CC1=NN=C(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)O1	REAL300020230194	1	43	-1.0	-52.60	375.65	1.47	-51.13
CC1=NN=C(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)O1	REAL300020230195	0	43	-1.0	-47.81	357.06	0.95	-46.86
CC1=NN=C(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)O1	REAL300020230195	1	43	-1.0	-47.86	357.12	0.96	-46.90
CC1=NN=C(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)O1	REAL300020230196	0	40	-1.0	-57.87	341.64	0.01	-57.86
CC1=NN=C(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)O1	REAL300020230196	1	40	-1.0	-57.88	341.69	0.02	-57.86
CSCC[C@H](NC(=O)NC1=CC=C(C2=NN=C(C)O2)C=C1)C1=N[N-]N=N1	REAL300020230197	0	43	-1.0	-49.34	385.18	-0.01	-49.35
CSCC[C@H](NC(=O)NC1=CC=C(C2=NN=C(C)O2)C=C1)C1=NN=N[N-]1	REAL300020230197	1	43	-1.0	-49.31	385.23	0.00	-49.31
CC1=NN=C(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)O1	REAL300020230198	0	40	-1.0	-49.57	343.02	0.06	-49.51
CC1=NN=C(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)O1	REAL300020230198	1	40	-1.0	-49.57	343.09	0.08	-49.49
CC1=NN=C(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)O1	REAL300020230199	0	46	-1.0	-51.94	364.94	1.86	-50.08
CC1=NN=C(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)O1	REAL300020230199	1	46	-1.0	-51.96	364.99	1.87	-50.09
O=C(CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1)N1CCOCC1	REAL300020230200	0	50	-1.0	-57.97	395.46	2.21	-55.76
O=C(CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1)N1CCOCC1	REAL300020230200	1	50	-1.0	-57.92	395.40	2.19	-55.73
O=C(CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1)N1CCOCC1	REAL300020230201	0	47	-1.0	-72.78	379.97	1.26	-71.52
O=C(CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1)N1CCOCC1	REAL300020230201	1	47	-1.0	-72.79	379.91	1.24	-71.55
O=C(CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1)N1CCOCC1	REAL300020230202	0	47	-1.0	-60.01	381.51	1.33	-58.68
O=C(CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1)N1CCOCC1	REAL300020230202	1	47	-1.0	-60.03	381.44	1.32	-58.71
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020230203	0	41	-1.0	-41.06	362.56	5.54	-35.52
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020230203	1	41	-1.0	-41.03	362.51	5.51	-35.52
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020230204	0	41	-1.0	-43.49	344.48	5.07	-38.42
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020230204	1	41	-1.0	-43.48	344.54	5.09	-38.39
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020230205	0	38	-1.0	-49.09	329.06	4.15	-44.94
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020230205	1	38	-1.0	-49.08	329.11	4.18	-44.90
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(F)=C1	REAL300020230206	0	41	-1.0	-43.43	372.59	4.12	-39.31
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(F)=C1	REAL300020230206	1	41	-1.0	-43.43	372.65	4.14	-39.29
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020230207	0	38	-1.0	-42.41	329.60	4.20	-38.21
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020230207	1	38	-1.0	-42.39	329.67	4.21	-38.18
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020230208	0	44	-1.0	-46.77	352.06	6.04	-40.73
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020230208	1	44	-1.0	-46.77	352.11	6.04	-40.73
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020230209	0	38	-1.0	-46.42	335.65	6.03	-40.39
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Cl	REAL300020230209	1	38	-1.0	-46.43	335.59	6.01	-40.42
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020230210	0	38	-1.0	-42.02	317.91	5.50	-36.52
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020230210	1	38	-1.0	-42.05	317.97	5.51	-36.54
CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL300020230211	0	35	-1.0	-51.90	302.18	4.61	-47.29
CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL300020230211	1	35	-1.0	-51.88	302.24	4.62	-47.26
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1Cl)C1=N[N-]N=N1	REAL300020230212	0	38	-1.0	-45.17	345.73	4.58	-40.59
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1Cl)C1=NN=N[N-]1	REAL300020230212	1	38	-1.0	-45.19	345.78	4.60	-40.59
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020230213	0	35	-1.0	-41.95	303.57	4.66	-37.29
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020230213	1	35	-1.0	-41.94	303.64	4.67	-37.27
CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020230214	0	41	-1.0	-47.34	325.42	6.39	-40.95
CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020230214	1	41	-1.0	-47.38	325.48	6.40	-40.98
CC1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230215	0	37	-1.0	-44.06	316.75	3.94	-40.12
CC1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230215	1	37	-1.0	-44.01	316.69	3.91	-40.10
CSCC[C@H](NC(=O)NC1=CC=CN=C1C)C1=N[N-]N=N1	REAL300020230216	0	37	-1.0	-46.33	324.94	2.41	-43.92
CSCC[C@H](NC(=O)NC1=CC=CN=C1C)C1=NN=N[N-]1	REAL300020230216	1	37	-1.0	-46.31	325.00	2.42	-43.89
CC1=NC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230217	0	40	-1.0	-48.15	303.09	4.18	-43.97
CC1=NC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230217	1	40	-1.0	-48.20	303.14	4.19	-44.01
O=C(NC1=C(F)C=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230218	0	35	-1.0	-42.57	316.51	5.05	-37.52
O=C(NC1=C(F)C=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230218	1	35	-1.0	-42.56	316.57	5.06	-37.50
O=C(NC1=C(F)C=C(Br)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020230219	0	32	-1.0	-52.88	306.90	4.24	-48.64
O=C(NC1=C(F)C=C(Br)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020230219	1	32	-1.0	-52.88	306.96	4.26	-48.62
O=C(NC1=C(F)C=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020230220	0	32	-1.0	-43.26	308.19	4.32	-38.94
O=C(NC1=C(F)C=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020230220	1	32	-1.0	-43.25	308.27	4.33	-38.92
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(F)(F)F	REAL300020230221	0	39	-1.0	-48.13	359.39	5.99	-42.14
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(F)(F)F	REAL300020230221	1	39	-1.0	-48.13	359.45	6.02	-42.11
N#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(F)(F)F	REAL300020230222	0	39	-1.0	-43.90	340.86	5.45	-38.45
N#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(F)(F)F	REAL300020230222	1	39	-1.0	-43.94	340.92	5.46	-38.48
N#CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020230223	0	36	-1.0	-49.18	324.91	4.58	-44.60
N#CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020230223	1	36	-1.0	-49.17	324.97	4.59	-44.58
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020230224	0	39	-1.0	-48.51	368.92	4.51	-44.00
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020230224	1	39	-1.0	-48.52	368.98	4.52	-44.00
N#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020230225	0	36	-1.0	-48.56	326.78	4.60	-43.96
N#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020230225	1	36	-1.0	-48.55	326.85	4.61	-43.94
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020230226	0	42	-1.0	-36.28	353.12	5.62	-30.66
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020230226	1	42	-1.0	-36.29	353.16	5.63	-30.66
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300020230227	0	45	-1.0	-48.53	389.80	5.18	-43.35
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300020230227	1	45	-1.0	-48.51	389.74	5.15	-43.36
O=C(NC1=CC=CC(OC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230228	0	45	-1.0	-51.63	370.36	4.73	-46.90
O=C(NC1=CC=CC(OC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230228	1	45	-1.0	-51.65	370.31	4.71	-46.94
O=C(NC1=CC=CC(OC2=CC=CC=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230229	0	42	-1.0	-62.47	354.89	3.79	-58.68
O=C(NC1=CC=CC(OC2=CC=CC=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230229	1	42	-1.0	-62.49	354.83	3.79	-58.70
CSCC[C@H](NC(=O)NC1=CC=CC(OC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL300020230230	0	45	-1.0	-56.95	398.58	3.77	-53.18
CSCC[C@H](NC(=O)NC1=CC=CC(OC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL300020230230	1	45	-1.0	-56.94	398.52	3.76	-53.18
O=C(NC1=CC=CC(OC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230231	0	42	-1.0	-51.54	355.97	3.83	-47.71
O=C(NC1=CC=CC(OC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230231	1	42	-1.0	-51.56	355.90	3.82	-47.74
O=C(NC1=CC=CC(OC2=CC=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230232	0	48	-1.0	-48.12	385.87	4.86	-43.26
O=C(NC1=CC=CC(OC2=CC=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230232	1	48	-1.0	-48.09	385.82	4.86	-43.23
CCOCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020230233	0	45	-1.0	-54.88	380.23	5.45	-49.43
CCOCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020230233	1	45	-1.0	-54.86	380.17	5.43	-49.43
CCOCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020230234	0	45	-1.0	-44.96	361.18	4.98	-39.98
CCOCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020230234	1	45	-1.0	-44.96	361.24	4.99	-39.97
CCOCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020230235	0	42	-1.0	-53.70	345.67	4.06	-49.64
CCOCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020230235	1	42	-1.0	-53.71	345.73	4.08	-49.63
CCOCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020230236	0	45	-1.0	-49.78	389.20	4.02	-45.76
CCOCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020230236	1	45	-1.0	-49.80	389.26	4.04	-45.76
CCOCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020230237	0	42	-1.0	-44.83	346.79	4.15	-40.68
CCOCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020230237	1	42	-1.0	-44.89	346.86	4.15	-40.74
CCOCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020230238	0	48	-1.0	-51.93	368.96	5.90	-46.03
CCOCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020230238	1	48	-1.0	-51.95	369.01	5.90	-46.05
O=C(NC1=CC=C(F)C(N2N=NN=C2C2CC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230239	0	47	-1.0	-47.67	391.44	5.93	-41.74
O=C(NC1=CC=C(F)C(N2N=NN=C2C2CC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230239	1	47	-1.0	-47.66	391.50	5.94	-41.72
O=C(NC1=CC=C(F)C(N2N=NN=C2C2CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230240	0	44	-1.0	-50.68	376.44	5.07	-45.61
O=C(NC1=CC=C(F)C(N2N=NN=C2C2CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230240	1	44	-1.0	-50.68	376.50	5.08	-45.60
O=C(NC1=CC=C(F)C(N2N=NN=C2C2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230241	0	44	-1.0	-46.94	377.41	5.14	-41.80
O=C(NC1=CC=C(F)C(N2N=NN=C2C2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230241	1	44	-1.0	-46.97	377.49	5.15	-41.82
CC1=CC=NC(OC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2C)=C1	REAL300020230242	0	51	-1.0	-46.53	412.65	5.92	-40.61
CC1=CC=NC(OC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2C)=C1	REAL300020230242	1	51	-1.0	-46.53	412.71	5.93	-40.60
CC1=CC=NC(OC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2C)=C1	REAL300020230243	0	48	-1.0	-55.77	397.05	5.05	-50.72
CC1=CC=NC(OC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2C)=C1	REAL300020230243	1	48	-1.0	-55.77	397.11	5.06	-50.71
CC1=CC=NC(OC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2C)=C1	REAL300020230244	0	48	-1.0	-45.59	398.42	5.09	-40.50
CC1=CC=NC(OC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2C)=C1	REAL300020230244	1	48	-1.0	-45.58	398.49	5.11	-40.47
O=C(NC1=CN(CC2CC2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230245	0	42	-1.0	-46.08	358.17	4.97	-41.11
O=C(NC1=CN(CC2CC2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230245	1	42	-1.0	-46.13	358.11	4.95	-41.18
O=C(NC1=CN(CC2CC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230246	0	42	-1.0	-47.97	339.03	4.50	-43.47
O=C(NC1=CN(CC2CC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230246	1	42	-1.0	-47.97	338.97	4.49	-43.48
O=C(NC1=CN(CC2CC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230247	0	39	-1.0	-59.63	323.55	3.60	-56.03
O=C(NC1=CN(CC2CC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230247	1	39	-1.0	-59.63	323.49	3.57	-56.06
CSCC[C@H](NC(=O)NC1=CN(CC2CC2)N=C1)C1=NN=N[N-]1	REAL300020230248	0	42	-1.0	-51.70	367.16	3.56	-48.14
CSCC[C@H](NC(=O)NC1=CN(CC2CC2)N=C1)C1=N[N-]N=N1	REAL300020230248	1	42	-1.0	-51.69	367.10	3.54	-48.15
O=C(NC1=CN(CC2CC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230249	0	39	-1.0	-48.55	325.04	3.63	-44.92
O=C(NC1=CN(CC2CC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230249	1	39	-1.0	-48.52	324.96	3.63	-44.89
O=C(NC1=CN(CC2CC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230250	0	45	-1.0	-55.79	346.98	5.38	-50.41
O=C(NC1=CN(CC2CC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230250	1	45	-1.0	-55.82	346.93	5.38	-50.44
CCC1=CC=C(CC)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230251	0	47	-1.0	-54.25	384.50	7.89	-46.36
CCC1=CC=C(CC)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020230251	1	47	-1.0	-54.26	384.44	7.86	-46.40
CCC1=CC=C(CC)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230252	0	47	-1.0	-43.28	364.36	7.38	-35.90
CCC1=CC=C(CC)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230252	1	47	-1.0	-43.28	364.42	7.39	-35.89
CCC1=CC=C(CC)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230253	0	44	-1.0	-54.04	349.43	6.44	-47.60
CCC1=CC=C(CC)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230253	1	44	-1.0	-54.05	349.49	6.47	-47.58
CCC1=CC=C(CC)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020230254	0	47	-1.0	-46.57	392.94	6.40	-40.17
CCC1=CC=C(CC)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020230254	1	47	-1.0	-46.61	392.99	6.41	-40.20
CCC1=CC=C(CC)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230255	0	44	-1.0	-44.05	350.77	6.50	-37.55
CCC1=CC=C(CC)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230255	1	44	-1.0	-44.06	350.84	6.52	-37.54
CCC1=CC=C(CC)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230256	0	50	-1.0	-50.56	374.42	8.20	-42.36
CCC1=CC=C(CC)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230256	1	50	-1.0	-50.55	374.48	8.20	-42.35
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C=C1OC(F)F	REAL300020230257	0	39	-1.0	-47.95	346.90	4.56	-43.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C=C1OC(F)F	REAL300020230257	1	39	-1.0	-47.97	346.84	4.53	-43.44
O=C(NC1=CC=C(F)C=C1OC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230258	0	39	-1.0	-43.02	328.80	4.05	-38.97
O=C(NC1=CC=C(F)C=C1OC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230258	1	39	-1.0	-43.02	328.86	4.07	-38.95
O=C(NC1=CC=C(F)C=C1OC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020230259	0	36	-1.0	-52.21	313.49	3.13	-49.08
O=C(NC1=CC=C(F)C=C1OC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020230259	1	36	-1.0	-52.26	313.55	3.16	-49.10
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OC(F)F)C1=N[N-]N=N1	REAL300020230260	0	39	-1.0	-45.79	356.20	3.10	-42.69
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OC(F)F)C1=NN=N[N-]1	REAL300020230260	1	39	-1.0	-45.82	356.25	3.12	-42.70
O=C(NC1=CC=C(F)C=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020230261	0	36	-1.0	-43.03	314.06	3.20	-39.83
O=C(NC1=CC=C(F)C=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020230261	1	36	-1.0	-43.00	314.14	3.21	-39.79
O=C(NC1=CC=C(F)C=C1OC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020230262	0	42	-1.0	-39.85	340.34	4.29	-35.56
O=C(NC1=CC=C(F)C=C1OC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020230262	1	42	-1.0	-39.91	340.39	4.30	-35.61
CC1=C(CSC(C)C)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230263	0	51	-1.0	-41.95	423.02	8.93	-33.02
CC1=C(CSC(C)C)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230263	1	51	-1.0	-41.98	423.07	8.96	-33.02
CC1=C(CSC(C)C)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230264	0	51	-1.0	-44.16	402.78	8.46	-35.70
CC1=C(CSC(C)C)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230264	1	51	-1.0	-44.18	402.84	8.47	-35.71
CC1=C(CSC(C)C)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230265	0	48	-1.0	-56.15	388.78	7.57	-48.58
CC1=C(CSC(C)C)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230265	1	48	-1.0	-56.16	388.84	7.58	-48.58
CSCC[C@H](NC(=O)NC1=CC=CC(CSC(C)C)=C1C)C1=N[N-]N=N1	REAL300020230266	0	51	-1.0	-48.08	431.34	7.47	-40.61
CSCC[C@H](NC(=O)NC1=CC=CC(CSC(C)C)=C1C)C1=NN=N[N-]1	REAL300020230266	1	51	-1.0	-48.07	431.40	7.48	-40.59
CC1=C(CSC(C)C)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230267	0	48	-1.0	-44.62	389.18	7.57	-37.05
CC1=C(CSC(C)C)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230267	1	48	-1.0	-44.62	389.25	7.59	-37.03
CC1=C(CSC(C)C)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230268	0	54	-1.0	-52.26	411.38	9.29	-42.97
CC1=C(CSC(C)C)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230268	1	54	-1.0	-52.18	411.44	9.29	-42.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(OC2CCCC2)C(F)=C1	REAL300020230269	0	49	-1.0	-51.94	403.60	6.99	-44.95
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(OC2CCCC2)C(F)=C1	REAL300020230269	1	49	-1.0	-51.95	403.66	7.02	-44.93
O=C(NC1=CC=C(OC2CCCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230270	0	49	-1.0	-45.92	384.70	6.56	-39.36
O=C(NC1=CC=C(OC2CCCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230270	1	49	-1.0	-45.96	384.75	6.58	-39.38
O=C(NC1=CC=C(OC2CCCC2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230271	0	46	-1.0	-51.44	368.94	5.66	-45.78
O=C(NC1=CC=C(OC2CCCC2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230271	1	46	-1.0	-51.47	369.00	5.67	-45.80
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCCC2)C(F)=C1)C1=N[N-]N=N1	REAL300020230272	0	49	-1.0	-45.51	412.60	5.59	-39.92
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCCC2)C(F)=C1)C1=NN=N[N-]1	REAL300020230272	1	49	-1.0	-45.47	412.66	5.60	-39.87
O=C(NC1=CC=C(OC2CCCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230273	0	46	-1.0	-42.74	370.32	5.70	-37.04
O=C(NC1=CC=C(OC2CCCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230273	1	46	-1.0	-42.75	370.39	5.71	-37.04
O=C(NC1=CC=C(OC2CCCC2)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230274	0	52	-1.0	-42.01	400.27	6.73	-35.28
O=C(NC1=CC=C(OC2CCCC2)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230274	1	52	-1.0	-41.98	400.32	6.75	-35.23
CC(C)(C)C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020230275	0	42	-2.0	-92.07	367.87	4.84	-87.23
CC(C)(C)C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020230275	1	42	-2.0	-92.06	367.81	4.82	-87.24
CC(C)(C)C1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020230275	1	43	-1.0	-44.91	371.13	6.04	-38.87
CC(C)(C)C1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020230275	1	43	-1.0	-44.88	371.07	6.02	-38.86
CC(C)(C)C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020230276	0	43	-1.0	-46.95	351.92	5.55	-41.40
CC(C)(C)C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020230276	1	43	-1.0	-46.94	351.86	5.53	-41.41
CC(C)(C)C1=CN=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020230277	0	40	-1.0	-58.67	336.49	4.65	-54.02
CC(C)(C)C1=CN=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020230277	1	40	-1.0	-58.69	336.44	4.63	-54.06
CSCC[C@H](NC(=O)NC1=NC=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL300020230278	0	43	-1.0	-50.95	380.10	4.62	-46.33
CSCC[C@H](NC(=O)NC1=NC=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL300020230278	1	43	-1.0	-50.94	380.05	4.60	-46.34
CC(C)(C)C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020230279	0	40	-1.0	-47.61	337.98	4.70	-42.91
CC(C)(C)C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020230279	1	40	-1.0	-47.60	337.90	4.69	-42.91
CC(C)(C)C1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020230280	0	46	-1.0	-54.35	360.17	6.41	-47.94
CC(C)(C)C1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020230280	1	46	-1.0	-54.35	360.12	6.41	-47.94
CS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020230281	0	41	-1.0	-60.08	368.29	2.28	-57.80
CS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020230281	1	41	-1.0	-60.08	368.35	2.31	-57.77
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020230282	0	41	-1.0	-50.99	349.10	1.83	-49.16
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020230282	1	41	-1.0	-50.98	349.15	1.85	-49.13
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020230283	0	38	-1.0	-61.41	333.55	0.95	-60.46
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020230283	1	38	-1.0	-61.43	333.60	0.96	-60.47
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=O)=O)C(F)=C1)C1=N[N-]N=N1	REAL300020230284	0	41	-1.0	-52.09	377.06	0.92	-51.17
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=O)=O)C(F)=C1)C1=NN=N[N-]1	REAL300020230284	1	41	-1.0	-52.08	377.12	0.93	-51.15
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020230285	0	38	-1.0	-50.52	334.92	1.00	-49.52
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020230285	1	38	-1.0	-50.52	335.00	1.01	-49.51
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020230286	0	44	-1.0	-46.43	363.58	2.03	-44.40
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020230286	1	44	-1.0	-46.43	363.62	2.05	-44.38
CC(C)(C)OC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230287	0	53	-1.0	-49.35	416.06	7.76	-41.59
CC(C)(C)OC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230287	1	53	-1.0	-49.39	416.11	7.78	-41.61
CC(C)(C)OC(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230288	0	50	-1.0	-55.68	400.67	6.83	-48.85
CC(C)(C)OC(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230288	1	50	-1.0	-55.68	400.73	6.85	-48.83
CC(C)(C)OC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230289	0	50	-1.0	-46.68	401.72	6.91	-39.77
CC(C)(C)OC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230289	1	50	-1.0	-46.68	401.79	6.92	-39.76
N#CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020230290	0	44	-1.0	-55.30	384.96	6.74	-48.56
N#CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020230290	1	44	-1.0	-55.34	385.02	6.76	-48.58
N#CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020230291	0	44	-1.0	-46.52	386.36	6.80	-39.72
N#CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020230291	1	44	-1.0	-46.50	386.43	6.81	-39.69
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1N1CCOC1=O	REAL300020230292	0	47	-1.0	-51.38	394.75	6.70	-44.68
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1N1CCOC1=O	REAL300020230292	1	47	-1.0	-51.43	394.69	6.68	-44.75
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1N1CCOC1=O	REAL300020230293	0	47	-1.0	-50.63	374.04	6.10	-44.53
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1N1CCOC1=O	REAL300020230293	1	47	-1.0	-50.69	374.09	6.11	-44.58
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1N1CCOC1=O	REAL300020230294	0	44	-1.0	-60.50	360.38	5.26	-55.24
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1N1CCOC1=O	REAL300020230294	1	44	-1.0	-60.50	360.44	5.28	-55.22
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCOC2=O)=C1C)C1=N[N-]N=N1	REAL300020230295	0	47	-1.0	-51.11	402.93	5.17	-45.94
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCOC2=O)=C1C)C1=NN=N[N-]1	REAL300020230295	1	47	-1.0	-51.10	402.99	5.19	-45.91
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1N1CCOC1=O	REAL300020230296	0	44	-1.0	-50.12	360.76	5.27	-44.85
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1N1CCOC1=O	REAL300020230296	1	44	-1.0	-50.12	360.83	5.29	-44.83
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1N1CCOC1=O	REAL300020230297	0	50	-1.0	-62.10	383.10	6.99	-55.11
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1N1CCOC1=O	REAL300020230297	1	50	-1.0	-62.15	383.14	6.98	-55.17
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230298	0	49	-1.0	-45.98	404.56	4.09	-41.89
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230298	1	49	-1.0	-45.97	404.62	4.11	-41.86
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230299	0	49	-1.0	-45.97	384.95	3.57	-42.40
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230299	1	49	-1.0	-46.01	385.01	3.58	-42.43
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230300	0	46	-1.0	-54.87	367.42	2.65	-52.22
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230300	1	46	-1.0	-54.86	367.48	2.68	-52.18
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020230301	0	49	-1.0	-49.45	411.42	2.60	-46.85
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020230301	1	49	-1.0	-49.42	411.48	2.62	-46.80
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230302	0	46	-1.0	-45.84	371.32	2.76	-43.08
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230302	1	46	-1.0	-45.85	371.39	2.77	-43.08
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230303	0	52	-1.0	-47.57	396.96	3.89	-43.68
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230303	1	52	-1.0	-47.57	396.99	3.88	-43.69
CC(C)(C)C(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020230304	0	49	-1.0	-48.12	395.22	6.90	-41.22
CC(C)(C)C(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020230304	1	49	-1.0	-48.17	395.16	6.87	-41.30
CC(C)(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020230305	0	49	-1.0	-49.75	376.86	6.34	-43.41
CC(C)(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020230305	1	49	-1.0	-49.79	376.92	6.35	-43.44
CC(C)(C)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020230306	0	46	-1.0	-58.15	360.76	5.45	-52.70
CC(C)(C)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020230306	1	46	-1.0	-58.15	360.82	5.46	-52.69
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020230307	0	49	-1.0	-53.74	404.44	5.41	-48.33
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020230307	1	49	-1.0	-53.75	404.50	5.43	-48.32
CC(C)(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020230308	0	46	-1.0	-43.65	362.61	5.47	-38.18
CC(C)(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020230308	1	46	-1.0	-43.69	362.69	5.48	-38.21
CC(C)(C)C(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020230309	0	52	-1.0	-48.45	384.48	7.26	-41.19
CC(C)(C)C(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020230309	1	52	-1.0	-48.41	384.53	7.27	-41.14
CC(C)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020230310	0	40	-1.0	-40.64	341.69	5.43	-35.21
CC(C)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NO1	REAL300020230310	1	40	-1.0	-40.65	341.64	5.40	-35.25
CC(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020230311	0	40	-1.0	-42.12	322.42	4.93	-37.19
CC(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020230311	1	40	-1.0	-42.14	322.48	4.94	-37.20
CSCC[C@H](NC(=O)NC1=NOC(C(C)C)=C1)C1=N[N-]N=N1	REAL300020230312	0	40	-1.0	-43.90	350.62	3.99	-39.91
CSCC[C@H](NC(=O)NC1=NOC(C(C)C)=C1)C1=NN=N[N-]1	REAL300020230312	1	40	-1.0	-43.88	350.68	4.00	-39.88
CC(C)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020230313	0	43	-1.0	-46.05	330.57	5.82	-40.23
CC(C)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020230313	1	43	-1.0	-46.07	330.61	5.83	-40.24
CC(C)CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020230314	0	44	-1.0	-45.31	363.72	4.97	-40.34
CC(C)CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020230314	1	44	-1.0	-45.29	363.66	4.95	-40.34
CC(C)CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020230315	0	44	-1.0	-46.94	348.98	4.46	-42.48
CC(C)CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020230315	1	44	-1.0	-46.94	348.92	4.45	-42.49
CC(C)CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020230316	0	41	-1.0	-59.34	333.55	3.54	-55.80
CC(C)CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020230316	1	41	-1.0	-59.31	333.49	3.53	-55.78
CSCC[C@H](NC(=O)NC1=CN(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300020230317	0	44	-1.0	-51.38	377.15	3.51	-47.87
CSCC[C@H](NC(=O)NC1=CN(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300020230317	1	44	-1.0	-51.37	377.09	3.49	-47.88
CC(C)CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020230318	0	41	-1.0	-48.22	335.04	3.59	-44.63
CC(C)CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020230318	1	41	-1.0	-48.23	334.97	3.58	-44.65
CC(C)CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020230319	0	47	-1.0	-55.49	357.00	5.35	-50.14
CC(C)CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020230319	1	47	-1.0	-55.51	356.96	5.34	-50.17
CC(C)OC1=CC(Br)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230320	0	42	-1.0	-54.54	359.95	4.91	-49.63
CC(C)OC1=CC(Br)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230320	1	42	-1.0	-54.53	360.00	4.92	-49.61
CC(C)OC1=CC(Br)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230321	0	42	-1.0	-44.48	360.56	4.92	-39.56
CC(C)OC1=CC(Br)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230321	1	42	-1.0	-44.50	360.63	4.93	-39.57
CN1C=C(C#N)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020230322	0	36	-1.0	-49.22	328.88	4.22	-45.00
CN1C=C(C#N)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020230322	1	36	-1.0	-49.19	328.82	4.19	-45.00
CN1C=C(C#N)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020230323	0	36	-1.0	-50.81	309.71	3.73	-47.08
CN1C=C(C#N)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020230323	1	36	-1.0	-50.84	309.65	3.71	-47.13
CSCC[C@H](NC(=O)NC1=NN(C)C=C1C#N)C1=NN=N[N-]1	REAL300020230324	0	36	-1.0	-53.45	337.83	2.80	-50.65
CSCC[C@H](NC(=O)NC1=NN(C)C=C1C#N)C1=N[N-]N=N1	REAL300020230324	1	36	-1.0	-53.45	337.77	2.78	-50.67
CN1C=C(C#N)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020230325	0	39	-1.0	-54.54	318.16	4.60	-49.94
CN1C=C(C#N)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020230325	1	39	-1.0	-54.55	318.11	4.58	-49.97
O=C(NC1=CC=C(S(=O)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230326	0	40	-1.0	-56.15	356.04	3.48	-52.67
O=C(NC1=CC=C(S(=O)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230326	1	40	-1.0	-56.18	356.10	3.49	-52.69
O=C(NC1=CC=C(S(=O)C(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230327	0	37	-1.0	-68.64	340.41	2.56	-66.08
O=C(NC1=CC=C(S(=O)C(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230327	1	37	-1.0	-68.69	340.47	2.58	-66.11
O=C(NC1=CC=C(S(=O)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230328	0	37	-1.0	-55.05	341.69	2.62	-52.43
O=C(NC1=CC=C(S(=O)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230328	1	37	-1.0	-55.05	341.77	2.64	-52.41
COC(=O)C(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020230329	0	50	-1.0	-59.93	413.08	7.07	-52.86
COC(=O)C(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020230329	1	50	-1.0	-59.94	413.13	7.10	-52.84
COC(=O)C(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020230330	0	50	-1.0	-50.14	393.99	6.64	-43.50
COC(=O)C(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020230330	1	50	-1.0	-50.19	394.05	6.65	-43.54
COC(=O)C(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020230331	0	47	-1.0	-57.97	378.57	5.71	-52.26
COC(=O)C(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020230331	1	47	-1.0	-57.93	378.63	5.72	-52.21
COC(=O)C(C)(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020230332	0	50	-1.0	-55.53	422.10	5.67	-49.86
COC(=O)C(C)(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020230332	1	50	-1.0	-55.55	422.15	5.68	-49.87
COC(=O)C(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020230333	0	47	-1.0	-49.45	379.94	5.76	-43.69
COC(=O)C(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020230333	1	47	-1.0	-49.46	380.02	5.77	-43.69
COC(=O)C(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020230334	0	53	-1.0	-49.14	406.41	6.81	-42.33
COC(=O)C(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020230334	1	53	-1.0	-49.14	406.45	6.81	-42.33
CC(C)(C)OC(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230335	0	53	-1.0	-46.49	411.00	7.89	-38.60
CC(C)(C)OC(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230335	1	53	-1.0	-46.48	411.06	7.91	-38.57
CC(C)(C)OC(=O)CC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230336	0	50	-1.0	-54.45	396.53	7.01	-47.44
CC(C)(C)OC(=O)CC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230336	1	50	-1.0	-54.51	396.59	7.04	-47.47
CC(C)(C)OC(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230337	0	50	-1.0	-45.92	397.88	7.08	-38.84
CC(C)(C)OC(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230337	1	50	-1.0	-45.97	397.95	7.09	-38.88
CC(C)(C)C1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2S1	REAL300020230338	0	49	-1.0	-45.66	397.87	6.31	-39.35
CC(C)(C)C1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2S1	REAL300020230338	1	49	-1.0	-45.67	397.81	6.30	-39.37
CC(C)(C)C1=NC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2S1	REAL300020230339	0	46	-1.0	-59.16	382.32	5.42	-53.74
CC(C)(C)C1=NC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2S1	REAL300020230339	1	46	-1.0	-59.17	382.27	5.40	-53.77
CC(C)(C)C1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2S1	REAL300020230340	0	46	-1.0	-47.29	383.72	5.47	-41.82
CC(C)(C)C1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2S1	REAL300020230340	1	46	-1.0	-47.31	383.64	5.45	-41.86
CC(C)(C)C1=NC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2S1	REAL300020230341	0	52	-1.0	-43.12	410.28	6.45	-36.67
CC(C)(C)C1=NC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2S1	REAL300020230341	1	52	-1.0	-43.07	410.24	6.44	-36.63
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1N1C=NN=N1	REAL300020230342	0	44	-1.0	-51.05	378.30	4.53	-46.52
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1N1C=NN=N1	REAL300020230342	1	44	-1.0	-51.04	378.24	4.51	-46.53
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1N1C=NN=N1	REAL300020230343	0	44	-1.0	-49.88	359.30	4.03	-45.85
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1N1C=NN=N1	REAL300020230343	1	44	-1.0	-49.88	359.24	4.01	-45.87
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1N1C=NN=N1	REAL300020230344	0	41	-1.0	-56.69	344.32	3.09	-53.60
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1N1C=NN=N1	REAL300020230344	1	41	-1.0	-56.67	344.26	3.08	-53.59
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1N1C=NN=N1	REAL300020230345	0	44	-1.0	-52.35	387.81	3.05	-49.30
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1N1C=NN=N1	REAL300020230345	1	44	-1.0	-52.31	387.75	3.04	-49.27
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1C=NN=N1	REAL300020230346	0	41	-1.0	-50.19	345.38	3.16	-47.03
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1C=NN=N1	REAL300020230346	1	41	-1.0	-50.20	345.31	3.16	-47.04
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1N1C=NN=N1	REAL300020230347	0	47	-1.0	-41.08	372.04	4.17	-36.91
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1N1C=NN=N1	REAL300020230347	1	47	-1.0	-41.05	372.00	4.16	-36.89
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C(F)(F)F	REAL300020230348	0	41	-1.0	-52.74	357.54	6.32	-46.42
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C(F)(F)F	REAL300020230348	1	41	-1.0	-52.76	357.49	6.29	-46.47
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C(F)(F)F	REAL300020230349	0	41	-1.0	-42.62	338.56	5.78	-36.84
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C(F)(F)F	REAL300020230349	1	41	-1.0	-42.59	338.61	5.80	-36.79
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020230350	0	38	-1.0	-53.48	322.99	4.90	-48.58
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020230350	1	38	-1.0	-53.48	323.04	4.91	-48.57
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300020230351	0	41	-1.0	-44.49	366.69	4.85	-39.64
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300020230351	1	41	-1.0	-44.46	366.75	4.86	-39.60
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020230352	0	38	-1.0	-43.10	324.52	4.94	-38.16
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020230352	1	38	-1.0	-43.08	324.59	4.96	-38.12
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020230353	0	44	-1.0	-37.87	350.98	5.98	-31.89
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020230353	1	44	-1.0	-37.93	351.02	5.99	-31.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(CC(F)(F)F)=C1	REAL300020230354	0	41	-1.0	-53.67	364.14	6.58	-47.09
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(CC(F)(F)F)=C1	REAL300020230354	1	41	-1.0	-53.67	364.09	6.55	-47.12
O=C(NC1=CC=CC(CC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230355	0	41	-1.0	-46.36	345.17	6.07	-40.29
O=C(NC1=CC=CC(CC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230355	1	41	-1.0	-46.36	345.23	6.08	-40.28
O=C(NC1=CC=CC(CC(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230356	0	38	-1.0	-52.80	329.79	5.15	-47.65
O=C(NC1=CC=CC(CC(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230356	1	38	-1.0	-52.81	329.85	5.16	-47.65
CSCC[C@H](NC(=O)NC1=CC=CC(CC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020230357	0	41	-1.0	-46.36	373.02	5.15	-41.21
CSCC[C@H](NC(=O)NC1=CC=CC(CC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020230357	1	41	-1.0	-46.37	373.07	5.16	-41.21
O=C(NC1=CC=CC(CC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230358	0	38	-1.0	-45.47	331.10	5.20	-40.27
O=C(NC1=CC=CC(CC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230358	1	38	-1.0	-45.48	331.18	5.22	-40.26
O=C(NC1=CC=CC(CC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230359	0	44	-1.0	-40.48	357.54	6.25	-34.23
O=C(NC1=CC=CC(CC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230359	1	44	-1.0	-40.52	357.57	6.25	-34.27
C#CCOC1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230360	0	41	-1.0	-44.97	365.26	5.73	-39.24
C#CCOC1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230360	1	41	-1.0	-44.96	365.20	5.71	-39.25
C#CCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230361	0	41	-1.0	-46.63	347.08	5.22	-41.41
C#CCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230361	1	41	-1.0	-46.64	347.13	5.23	-41.41
C#CCOC1=CC=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230362	0	38	-1.0	-56.68	330.56	4.33	-52.35
C#CCOC1=CC=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230362	1	38	-1.0	-56.69	330.62	4.35	-52.34
C#CCOC1=CC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020230363	0	41	-1.0	-51.33	374.07	4.29	-47.04
C#CCOC1=CC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020230363	1	41	-1.0	-51.35	374.13	4.30	-47.05
C#CCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230364	0	38	-1.0	-46.66	332.72	4.37	-42.29
C#CCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230364	1	38	-1.0	-46.63	332.79	4.39	-42.24
C#CCOC1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230365	0	44	-1.0	-52.57	354.55	6.11	-46.46
C#CCOC1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230365	1	44	-1.0	-52.52	354.61	6.12	-46.40
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(OC)C(OC)=C1	REAL300020230366	0	49	-1.0	-48.87	399.06	4.39	-44.48
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(OC)C(OC)=C1	REAL300020230366	1	49	-1.0	-48.86	399.11	4.41	-44.45
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(OC)C(OC)=C1	REAL300020230367	0	46	-1.0	-62.41	385.15	3.44	-58.97
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(OC)C(OC)=C1	REAL300020230367	1	46	-1.0	-62.38	385.21	3.47	-58.91
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(OC)C(OC)=C1	REAL300020230368	0	46	-1.0	-48.56	386.54	3.51	-45.05
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(OC)C(OC)=C1	REAL300020230368	1	46	-1.0	-48.57	386.62	3.52	-45.05
C#CCOC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230369	0	41	-1.0	-41.62	364.79	5.76	-35.86
C#CCOC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230369	1	41	-1.0	-41.56	364.73	5.73	-35.83
C#CCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230370	0	41	-1.0	-43.16	345.99	5.25	-37.91
C#CCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230370	1	41	-1.0	-43.21	346.04	5.26	-37.95
C#CCOC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230371	0	38	-1.0	-52.56	331.37	4.33	-48.23
C#CCOC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230371	1	38	-1.0	-52.56	331.43	4.35	-48.21
C#CCOC1=CC(F)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020230372	0	41	-1.0	-46.05	374.08	4.30	-41.75
C#CCOC1=CC(F)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020230372	1	41	-1.0	-46.06	374.13	4.31	-41.75
C#CCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230373	0	38	-1.0	-42.73	331.95	4.39	-38.34
C#CCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230373	1	38	-1.0	-42.77	332.02	4.41	-38.36
C#CCOC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230374	0	44	-1.0	-42.04	358.24	5.50	-36.54
C#CCOC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230374	1	44	-1.0	-42.00	358.28	5.50	-36.50
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C(Br)=C1	REAL300020230375	0	35	-1.0	-55.98	330.26	5.40	-50.58
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C(Br)=C1	REAL300020230375	1	35	-1.0	-55.99	330.31	5.42	-50.57
O=C(NC1=CC=C(F)C(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230376	0	35	-1.0	-40.95	311.06	4.95	-36.00
O=C(NC1=CC=C(F)C(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230376	1	35	-1.0	-40.96	311.12	4.97	-35.99
O=C(NC1=CC=C(F)C(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230377	0	32	-1.0	-55.81	295.51	4.06	-51.75
O=C(NC1=CC=C(F)C(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230377	1	32	-1.0	-55.78	295.57	4.08	-51.70
CSCC[C@H](NC(=O)NC1=CC=C(F)C(Br)=C1)C1=N[N-]N=N1	REAL300020230378	0	35	-1.0	-43.13	339.03	4.02	-39.11
CSCC[C@H](NC(=O)NC1=CC=C(F)C(Br)=C1)C1=NN=N[N-]1	REAL300020230378	1	35	-1.0	-43.15	339.09	4.03	-39.12
O=C(NC1=CC=C(F)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230379	0	32	-1.0	-45.12	296.89	4.12	-41.00
O=C(NC1=CC=C(F)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230379	1	32	-1.0	-45.18	296.96	4.12	-41.06
O=C(NC1=CC=C(F)C(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230380	0	38	-1.0	-37.37	325.55	5.13	-32.24
O=C(NC1=CC=C(F)C(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230380	1	38	-1.0	-37.37	325.60	5.15	-32.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2CCCNC2=O)=C1	REAL300020230381	0	48	-1.0	-47.90	399.87	4.55	-43.35
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2CCCNC2=O)=C1	REAL300020230381	1	48	-1.0	-47.91	399.82	4.53	-43.38
O=C(NC1=CC=CC(N2CCCNC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230382	0	48	-1.0	-50.45	380.50	4.01	-46.44
O=C(NC1=CC=CC(N2CCCNC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230382	1	48	-1.0	-50.48	380.56	4.03	-46.45
O=C(NC1=CC(N2CCCNC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230383	0	45	-1.0	-65.04	364.71	3.14	-61.90
O=C(NC1=CC(N2CCCNC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230383	1	45	-1.0	-65.10	364.77	3.15	-61.95
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCCNC2=O)=C1)C1=N[N-]N=N1	REAL300020230384	0	48	-1.0	-51.12	408.25	3.11	-48.01
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCCNC2=O)=C1)C1=NN=N[N-]1	REAL300020230384	1	48	-1.0	-51.15	408.30	3.12	-48.03
O=C(NC1=CC=CC(N2CCCNC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230385	0	45	-1.0	-49.28	365.75	3.17	-46.11
O=C(NC1=CC=CC(N2CCCNC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230385	1	45	-1.0	-49.24	365.82	3.18	-46.06
O=C(NC1=CC(N2CCCNC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230386	0	51	-1.0	-53.69	395.07	4.05	-49.64
O=C(NC1=CC(N2CCCNC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230386	1	51	-1.0	-53.70	395.12	4.05	-49.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(F)C=C(F)C=C1F	REAL300020230387	0	35	-1.0	-43.93	320.66	5.03	-38.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(F)C=C(F)C=C1F	REAL300020230387	1	35	-1.0	-43.86	320.60	5.00	-38.86
O=C(NC1=C(F)C=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230388	0	35	-1.0	-42.69	301.63	4.48	-38.21
O=C(NC1=C(F)C=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230388	1	35	-1.0	-42.73	301.69	4.49	-38.24
O=C(NC1=C(F)C=C(F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020230389	0	32	-1.0	-52.76	292.02	3.69	-49.07
O=C(NC1=C(F)C=C(F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020230389	1	32	-1.0	-52.82	292.08	3.70	-49.12
CSCC[C@H](NC(=O)NC1=C(F)C=C(F)C=C1F)C1=N[N-]N=N1	REAL300020230390	0	35	-1.0	-46.40	335.48	3.68	-42.72
CSCC[C@H](NC(=O)NC1=C(F)C=C(F)C=C1F)C1=NN=N[N-]1	REAL300020230390	1	35	-1.0	-46.38	335.54	3.69	-42.69
O=C(NC1=C(F)C=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020230391	0	32	-1.0	-43.31	293.32	3.76	-39.55
O=C(NC1=C(F)C=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020230391	1	32	-1.0	-43.28	293.39	3.78	-39.50
O=C(NC1=C(F)C=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020230392	0	38	-1.0	-46.72	310.25	5.40	-41.32
O=C(NC1=C(F)C=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020230392	1	38	-1.0	-46.75	310.25	5.41	-41.34
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(=O)OC	REAL300020230393	0	47	-1.0	-48.08	389.98	5.89	-42.19
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(=O)OC	REAL300020230393	1	47	-1.0	-48.15	390.04	5.91	-42.24
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(=O)OC	REAL300020230394	0	44	-1.0	-65.06	374.14	5.04	-60.02
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(=O)OC	REAL300020230394	1	44	-1.0	-65.05	374.19	5.06	-59.99
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(=O)OC	REAL300020230395	0	44	-1.0	-53.83	375.52	5.09	-48.74
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(=O)OC	REAL300020230395	1	44	-1.0	-53.86	375.59	5.09	-48.77
O=C(NC1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230396	0	45	-1.0	-45.58	386.66	5.17	-40.41
O=C(NC1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230396	1	45	-1.0	-45.59	386.60	5.15	-40.44
O=C(NC1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230397	0	42	-1.0	-55.21	371.68	4.29	-50.92
O=C(NC1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230397	1	42	-1.0	-55.23	371.62	4.28	-50.95
O=C(NC1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230398	0	42	-1.0	-46.18	373.24	4.34	-41.84
O=C(NC1=CC=C(OC2=CC=C(Cl)C=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230398	1	42	-1.0	-46.16	373.17	4.33	-41.83
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020230399	0	43	-2.0	-104.44	382.88	6.35	-98.09
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020230399	1	43	-2.0	-104.45	382.83	6.32	-98.13
CC1=CC=CC=C1C1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020230399	1	44	-1.0	-45.52	387.78	7.72	-37.80
CC1=CC=CC=C1C1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020230399	1	44	-1.0	-45.49	387.73	7.70	-37.79
CC1=CC=CC=C1C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020230400	0	44	-1.0	-47.41	366.90	7.07	-40.34
CC1=CC=CC=C1C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020230400	1	44	-1.0	-47.38	366.85	7.05	-40.33
CC1=CC=CC=C1C1=CN=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020230401	0	41	-1.0	-59.47	351.49	6.16	-53.31
CC1=CC=CC=C1C1=CN=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020230401	1	41	-1.0	-59.50	351.44	6.15	-53.35
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020230401	1	40	-2.0	-118.99	350.03	5.11	-113.88
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020230401	1	40	-2.0	-118.95	350.09	5.12	-113.83
CSCC[C@H](NC(=O)NC1=NC=C(C2=CC=CC=C2C)S1)C1=NN=N[N-]1	REAL300020230402	0	44	-1.0	-51.45	396.74	6.30	-45.15
CSCC[C@H](NC(=O)NC1=NC=C(C2=CC=CC=C2C)S1)C1=N[N-]N=N1	REAL300020230402	1	44	-1.0	-51.45	396.68	6.28	-45.17
CC1=CC=CC=C1C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020230403	0	41	-1.0	-48.21	352.93	6.22	-41.99
CC1=CC=CC=C1C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020230403	1	41	-1.0	-48.20	352.86	6.21	-41.99
CC1=CC=CC=C1C1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020230404	0	47	-1.0	-55.30	375.43	7.95	-47.35
CC1=CC=CC=C1C1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020230404	1	47	-1.0	-55.27	375.37	7.93	-47.34
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Br	REAL300020230405	0	39	-1.0	-43.52	334.08	4.23	-39.29
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Br	REAL300020230405	1	39	-1.0	-43.56	334.14	4.24	-39.32
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Br	REAL300020230406	0	36	-1.0	-51.60	318.71	3.34	-48.26
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Br	REAL300020230406	1	36	-1.0	-51.58	318.77	3.35	-48.23
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020230407	0	36	-1.0	-43.37	320.08	3.39	-39.98
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020230407	1	36	-1.0	-43.41	320.15	3.40	-40.01
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Br	REAL300020230408	0	42	-1.0	-39.01	346.42	4.41	-34.60
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Br	REAL300020230408	1	42	-1.0	-38.98	346.46	4.43	-34.55
CN(C)C(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020230409	0	45	-1.0	-49.57	383.17	4.77	-44.80
CN(C)C(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020230409	1	45	-1.0	-49.53	383.11	4.75	-44.78
CN(C)C(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020230410	0	45	-1.0	-49.02	360.15	4.19	-44.83
CN(C)C(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020230410	1	45	-1.0	-49.02	360.21	4.20	-44.82
CN(C)C(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020230411	0	42	-1.0	-59.75	348.35	3.34	-56.41
CN(C)C(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020230411	1	42	-1.0	-59.79	348.41	3.35	-56.44
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020230412	0	45	-1.0	-48.69	387.57	3.23	-45.46
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020230412	1	45	-1.0	-48.73	387.63	3.25	-45.48
CN(C)C(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020230413	0	42	-1.0	-46.91	351.18	3.42	-43.49
CN(C)C(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020230413	1	42	-1.0	-46.97	351.25	3.42	-43.55
CN(C)C(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020230414	0	48	-1.0	-46.14	376.35	4.59	-41.55
CN(C)C(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020230414	1	48	-1.0	-46.11	376.39	4.60	-41.51
CC1=CN=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230415	0	37	-1.0	-48.41	319.20	3.71	-44.70
CC1=CN=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020230415	1	37	-1.0	-48.42	319.15	3.69	-44.73
CSCC[C@H](NC(=O)NC1=CN=CC(C)=C1)C1=NN=N[N-]1	REAL300020230416	0	37	-1.0	-46.33	328.44	2.25	-44.08
CSCC[C@H](NC(=O)NC1=CN=CC(C)=C1)C1=N[N-]N=N1	REAL300020230416	1	37	-1.0	-46.35	328.39	2.24	-44.11
CC1=CN=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230417	0	40	-1.0	-41.59	315.34	3.32	-38.27
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COCCCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230419	1	49	-1.0	-45.18	389.49	4.45	-40.73
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COCCCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230420	1	46	-1.0	-63.92	375.08	3.50	-60.42
COCCCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020230421	0	49	-1.0	-56.45	418.81	3.42	-53.03
COCCCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020230421	1	49	-1.0	-56.47	418.87	3.44	-53.03
COCCCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230422	0	46	-1.0	-50.32	376.66	3.52	-46.80
COCCCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230422	1	46	-1.0	-50.31	376.73	3.52	-46.79
COCCCOC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230423	0	52	-1.0	-45.41	405.05	4.57	-40.84
COCCCOC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230423	1	52	-1.0	-45.42	405.10	4.59	-40.83
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CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230424	1	54	0.0	-70.19	427.69	7.39	-62.80
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230425	0	54	0.0	-70.81	408.46	6.90	-63.91
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230425	1	54	0.0	-70.84	408.51	6.92	-63.92
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230426	0	51	0.0	-82.01	393.01	5.99	-76.02
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230426	1	51	0.0	-82.02	393.07	6.01	-76.01
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300020230427	0	54	0.0	-73.69	436.62	5.95	-67.74
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300020230427	1	54	0.0	-73.66	436.68	5.96	-67.70
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230428	0	51	0.0	-74.13	394.48	6.05	-68.08
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230428	1	51	0.0	-74.13	394.56	6.05	-68.08
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CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230429	1	57	0.0	-76.61	416.48	7.78	-68.83
CC1=NN(CC2=CC=CC=N2)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230430	0	47	-1.0	-45.70	401.76	6.14	-39.56
CC1=NN(CC2=CC=CC=N2)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020230430	1	47	-1.0	-45.69	401.70	6.12	-39.57
CC1=NN(CC2=CC=CC=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230431	0	47	-1.0	-46.73	382.52	5.66	-41.07
CC1=NN(CC2=CC=CC=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230431	1	47	-1.0	-46.74	382.58	5.67	-41.07
CC1=NN(CC2=CC=CC=N2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230432	0	44	-1.0	-58.72	367.06	4.75	-53.97
CC1=NN(CC2=CC=CC=N2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230432	1	44	-1.0	-58.69	367.12	4.75	-53.94
CSCC[C@H](NC(=O)NC1=CC(C)=NN1CC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020230433	0	47	-1.0	-52.17	410.67	4.70	-47.47
CSCC[C@H](NC(=O)NC1=CC(C)=NN1CC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020230433	1	47	-1.0	-52.17	410.73	4.72	-47.45
CC1=NN(CC2=CC=CC=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230434	0	44	-1.0	-46.91	368.55	4.80	-42.11
CC1=NN(CC2=CC=CC=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230434	1	44	-1.0	-46.87	368.62	4.80	-42.07
CC1=NN(CC2=CC=CC=N2)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230435	0	50	-1.0	-55.37	390.55	6.54	-48.83
CC1=NN(CC2=CC=CC=N2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230435	1	50	-1.0	-55.39	390.59	6.55	-48.84
CCOC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230436	0	52	-1.0	-55.01	406.05	4.51	-50.50
CCOC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230436	1	52	-1.0	-55.00	406.11	4.52	-50.48
CCOC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230437	0	49	-1.0	-73.39	390.66	3.58	-69.81
CCOC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230437	1	49	-1.0	-73.38	390.72	3.61	-69.77
CCOC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230438	0	49	-1.0	-57.26	389.92	3.56	-53.70
CCOC1=CC=C(C(=O)N(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230438	1	49	-1.0	-57.29	389.99	3.58	-53.71
CC1=NN(CC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C(C)=N1	REAL300020230439	0	50	-1.0	-50.55	404.35	7.02	-43.53
CC1=NN(CC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C(C)=N1	REAL300020230439	1	50	-1.0	-50.54	404.41	7.03	-43.51
CC1=NN(CC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C(C)=N1	REAL300020230440	0	47	-1.0	-57.73	389.00	6.13	-51.60
CC1=NN(CC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C(C)=N1	REAL300020230440	1	47	-1.0	-57.74	389.05	6.14	-51.60
CC1=NN(CC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C(C)=N1	REAL300020230441	0	47	-1.0	-50.64	390.33	6.18	-44.46
CC1=NN(CC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C(C)=N1	REAL300020230441	1	47	-1.0	-50.66	390.40	6.19	-44.47
CC1=NN(CC2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C(C)=N1	REAL300020230442	0	53	-1.0	-49.93	418.72	7.22	-42.71
CC1=NN(CC2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C(C)=N1	REAL300020230442	1	53	-1.0	-49.93	418.77	7.25	-42.68
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230443	0	54	-1.0	-49.95	427.56	7.64	-42.31
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230443	1	54	-1.0	-50.01	427.61	7.66	-42.35
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230444	0	54	-1.0	-44.61	407.32	7.12	-37.49
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230444	1	54	-1.0	-44.63	407.38	7.13	-37.50
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230445	0	51	-1.0	-56.79	392.13	6.18	-50.61
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230445	1	51	-1.0	-56.82	392.19	6.20	-50.62
CSCC[C@H](NC(=O)NC1=CC=CC(COC(C)(C)C)=C1C)C1=N[N-]N=N1	REAL300020230446	0	54	-1.0	-47.17	435.80	6.12	-41.05
CSCC[C@H](NC(=O)NC1=CC=CC(COC(C)(C)C)=C1C)C1=NN=N[N-]1	REAL300020230446	1	54	-1.0	-47.15	435.86	6.14	-41.01
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230447	0	51	-1.0	-44.80	393.64	6.23	-38.57
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230447	1	51	-1.0	-44.84	393.71	6.24	-38.60
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230448	0	57	-1.0	-50.85	415.90	7.94	-42.91
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230448	1	57	-1.0	-50.92	415.96	7.95	-42.97
O=C(NC1=CC=C(OCC(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230449	0	42	-1.0	-51.91	367.55	5.33	-46.58
O=C(NC1=CC=C(OCC(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230449	1	42	-1.0	-51.91	367.49	5.30	-46.61
O=C(NC1=CC=C(OCC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230450	0	42	-1.0	-46.86	346.99	4.87	-41.99
O=C(NC1=CC=C(OCC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230450	1	42	-1.0	-46.85	347.05	4.89	-41.96
O=C(NC1=CC=C(OCC(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230451	0	39	-1.0	-62.41	332.85	3.93	-58.48
O=C(NC1=CC=C(OCC(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230451	1	39	-1.0	-62.43	332.91	3.94	-58.49
CSCC[C@H](NC(=O)NC1=CC=C(OCC(F)F)C=C1)C1=N[N-]N=N1	REAL300020230452	0	42	-1.0	-50.05	376.67	3.85	-46.20
CSCC[C@H](NC(=O)NC1=CC=C(OCC(F)F)C=C1)C1=NN=N[N-]1	REAL300020230452	1	42	-1.0	-50.09	376.73	3.87	-46.22
O=C(NC1=CC=C(OCC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230453	0	39	-1.0	-46.86	334.56	3.96	-42.90
O=C(NC1=CC=C(OCC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230453	1	39	-1.0	-46.89	334.63	3.96	-42.93
O=C(NC1=CC=C(OCC(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230454	0	45	-1.0	-51.55	356.43	5.73	-45.82
O=C(NC1=CC=C(OCC(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230454	1	45	-1.0	-51.59	356.48	5.73	-45.86
CC(=O)N1CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C1	REAL300020230455	0	46	-1.0	-48.35	386.63	5.34	-43.01
CC(=O)N1CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C1	REAL300020230455	1	46	-1.0	-48.35	386.57	5.31	-43.04
CC(=O)N1CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C1	REAL300020230456	0	46	-1.0	-48.28	367.96	4.79	-43.49
CC(=O)N1CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C1	REAL300020230456	1	46	-1.0	-48.24	368.01	4.81	-43.43
CC(=O)N1CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C1	REAL300020230457	0	43	-1.0	-57.20	352.40	3.88	-53.32
CC(=O)N1CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C1	REAL300020230457	1	43	-1.0	-57.20	352.46	3.91	-53.29
CSCC[C@H](NC(=O)NC1=CC=C2CN(C(C)=O)CC2=C1)C1=N[N-]N=N1	REAL300020230458	0	46	-1.0	-50.81	397.29	3.89	-46.92
CSCC[C@H](NC(=O)NC1=CC=C2CN(C(C)=O)CC2=C1)C1=NN=N[N-]1	REAL300020230458	1	46	-1.0	-50.80	397.35	3.91	-46.89
CC(=O)N1CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1	REAL300020230459	0	43	-1.0	-53.68	353.93	3.92	-49.76
CC(=O)N1CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1	REAL300020230459	1	43	-1.0	-53.67	354.00	3.93	-49.74
CC(=O)N1CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020230460	0	49	-1.0	-47.25	382.33	4.98	-42.27
CC(=O)N1CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020230460	1	49	-1.0	-47.26	382.38	5.01	-42.25
CC1=CC=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230461	0	39	-1.0	-45.78	342.00	6.08	-39.70
CC1=CC=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230461	1	39	-1.0	-45.76	341.94	6.06	-39.70
CC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230462	0	39	-1.0	-46.68	321.21	5.49	-41.19
CC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230462	1	39	-1.0	-46.69	321.26	5.51	-41.18
CSCC[C@H](NC(=O)NC1=CC(C#N)=CC=C1C)C1=N[N-]N=N1	REAL300020230463	0	39	-1.0	-49.40	351.59	4.64	-44.76
CSCC[C@H](NC(=O)NC1=CC(C#N)=CC=C1C)C1=NN=N[N-]1	REAL300020230463	1	39	-1.0	-49.42	351.65	4.65	-44.77
CC1=CC=C(C#N)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230464	0	42	-1.0	-52.34	330.07	6.38	-45.96
CC1=CC=C(C#N)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230464	1	42	-1.0	-52.37	330.12	6.38	-45.99
CSC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020230465	0	39	-1.0	-58.39	358.51	6.23	-52.16
CSC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020230465	1	39	-1.0	-58.39	358.45	6.20	-52.19
CSC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020230466	0	39	-1.0	-42.34	339.26	5.75	-36.59
CSC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020230466	1	39	-1.0	-42.33	339.31	5.76	-36.57
CSC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020230467	0	36	-1.0	-58.68	323.71	4.87	-53.81
CSC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020230467	1	36	-1.0	-58.63	323.76	4.88	-53.75
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CSCC[C@H](NC(=O)NC1=CC=C(SC)C(Cl)=C1)C1=NN=N[N-]1	REAL300020230468	1	39	-1.0	-44.58	367.27	4.84	-39.74
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CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=N1)C1=N[N-]N=N1	REAL300020230485	1	34	-1.0	-54.78	325.15	3.46	-51.32
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CC1=NC(C)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020230487	1	37	-1.0	-41.66	329.42	3.39	-38.27
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CSCC[C@H](NC(=O)NC1=C(C)N=C(C)S1)C1=N[N-]N=N1	REAL300020230489	0	37	-1.0	-45.25	338.38	1.98	-43.27
CSCC[C@H](NC(=O)NC1=C(C)N=C(C)S1)C1=NN=N[N-]1	REAL300020230489	1	37	-1.0	-45.26	338.43	2.00	-43.26
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CC1=NC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020230490	1	40	-1.0	-47.19	318.50	3.80	-43.39
CC(C)N1C=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230491	0	50	-1.0	-48.20	395.54	8.27	-39.93
CC(C)N1C=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230491	1	50	-1.0	-48.23	395.60	8.29	-39.94
CC(C)N1C=NN=C1C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230492	0	47	-1.0	-58.25	381.09	7.37	-50.88
CC(C)N1C=NN=C1C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230492	1	47	-1.0	-58.28	381.14	7.38	-50.90
CC(C)N1C=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230493	0	47	-1.0	-48.81	381.56	7.44	-41.37
CC(C)N1C=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230493	1	47	-1.0	-48.81	381.64	7.46	-41.35
CC(C)N1C=NN=C1C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230494	0	53	-1.0	-54.08	404.38	9.45	-44.63
CC(C)N1C=NN=C1C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230494	1	53	-1.0	-54.06	404.41	9.45	-44.61
COCCNC(=O)CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020230495	0	49	-1.0	-56.37	419.36	1.04	-55.33
COCCNC(=O)CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020230495	1	49	-1.0	-56.35	419.30	1.02	-55.33
COCCNC(=O)CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020230496	0	49	-1.0	-57.03	400.18	0.59	-56.44
COCCNC(=O)CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020230496	1	49	-1.0	-56.99	400.12	0.57	-56.42
COCCNC(=O)CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020230497	0	46	-1.0	-71.79	384.72	-0.34	-72.13
COCCNC(=O)CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020230497	1	46	-1.0	-71.78	384.66	-0.35	-72.13
COCCNC(=O)CN1C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020230498	0	49	-1.0	-61.66	428.34	-0.37	-62.03
COCCNC(=O)CN1C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020230498	1	49	-1.0	-61.70	428.29	-0.39	-62.09
COCCNC(=O)CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020230499	0	46	-1.0	-59.26	386.22	-0.29	-59.55
COCCNC(=O)CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020230499	1	46	-1.0	-59.22	386.14	-0.31	-59.53
COCCNC(=O)CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020230500	0	52	-1.0	-68.64	408.18	1.46	-67.18
COCCNC(=O)CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020230500	1	52	-1.0	-68.68	408.13	1.45	-67.23
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CSCC[C@H](NC(=O)NC1=CC=C(CCC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020230507	0	44	-1.0	-49.18	394.80	5.93	-43.25
CSCC[C@H](NC(=O)NC1=CC=C(CCC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020230507	1	44	-1.0	-49.12	394.86	5.94	-43.18
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CSC1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020230510	0	33	-2.0	-84.34	323.55	2.40	-81.94
CSC1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020230510	1	33	-2.0	-84.36	323.50	2.38	-81.98
CSC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020230511	0	33	-2.0	-86.83	306.56	2.29	-84.54
CSC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020230511	1	33	-2.0	-86.88	306.51	2.27	-84.61
CSC1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020230512	0	30	-2.0	-105.96	290.71	1.14	-104.82
CSC1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020230512	1	30	-2.0	-105.99	290.77	1.17	-104.82
CSCC[C@H](NC(=O)[N-]C1=NC(SC)=NS1)C1=N[N-]N=N1	REAL300020230513	0	33	-2.0	-96.74	332.48	0.97	-95.77
CSCC[C@H](NC(=O)[N-]C1=NC(SC)=NS1)C1=NN=N[N-]1	REAL300020230513	1	33	-2.0	-96.71	332.54	0.99	-95.72
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CC1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC1	REAL300020230517	0	53	-1.0	-43.80	397.88	6.15	-37.65
CC1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020230517	1	53	-1.0	-43.76	397.94	6.16	-37.60
CC1CCN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020230518	0	50	-1.0	-56.39	382.43	5.24	-51.15
CC1CCN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020230518	1	50	-1.0	-56.38	382.49	5.26	-51.12
CSCC[C@H](NC(=O)NC1=CC=C(N2CCC(C)CC2)C=C1)C1=N[N-]N=N1	REAL300020230519	0	53	-1.0	-46.15	426.13	5.19	-40.96
CSCC[C@H](NC(=O)NC1=CC=C(N2CCC(C)CC2)C=C1)C1=NN=N[N-]1	REAL300020230519	1	53	-1.0	-46.15	426.19	5.21	-40.94
CC1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020230520	0	50	-1.0	-44.38	383.95	5.29	-39.09
CC1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020230520	1	50	-1.0	-44.40	384.03	5.29	-39.11
CC1CCN(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020230521	0	56	-1.0	-49.24	405.90	7.05	-42.19
CC1CCN(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020230521	1	56	-1.0	-49.24	405.94	7.05	-42.19
CCOC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN1C	REAL300020230522	0	45	-1.0	-51.30	383.79	5.88	-45.42
CCOC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN1C	REAL300020230522	1	45	-1.0	-51.29	383.74	5.86	-45.43
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN1C	REAL300020230523	0	45	-1.0	-53.32	364.54	5.39	-47.93
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN1C	REAL300020230523	1	45	-1.0	-53.33	364.60	5.40	-47.93
CCOC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN1C	REAL300020230524	0	42	-1.0	-67.48	349.11	4.48	-63.00
CCOC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN1C	REAL300020230524	1	42	-1.0	-67.45	349.17	4.51	-62.94
CCOC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CN1C	REAL300020230525	0	45	-1.0	-58.69	392.72	4.45	-54.24
CCOC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CN1C	REAL300020230525	1	45	-1.0	-58.72	392.78	4.47	-54.25
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1C	REAL300020230526	0	42	-1.0	-54.79	350.58	4.54	-50.25
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1C	REAL300020230526	1	42	-1.0	-54.82	350.66	4.55	-50.27
CCOC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1C	REAL300020230527	0	48	-1.0	-63.27	372.58	6.29	-56.98
CCOC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1C	REAL300020230527	1	48	-1.0	-63.23	372.62	6.30	-56.93
O=C(NC1=NN(CC(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230528	0	38	-1.0	-44.33	339.65	4.70	-39.63
O=C(NC1=NN(CC(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230528	1	38	-1.0	-44.32	339.59	4.67	-39.65
O=C(NC1=NN(CC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230529	0	38	-1.0	-47.86	319.33	4.25	-43.61
O=C(NC1=NN(CC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230529	1	38	-1.0	-47.88	319.28	4.24	-43.64
O=C(NC1=NN(CC(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230530	0	35	-1.0	-55.56	303.86	3.33	-52.23
O=C(NC1=NN(CC(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230530	1	35	-1.0	-55.56	303.80	3.32	-52.24
CSCC[C@H](NC(=O)NC1=NN(CC(F)F)C=C1)C1=NN=N[N-]1	REAL300020230531	0	38	-1.0	-48.59	348.62	3.27	-45.32
CSCC[C@H](NC(=O)NC1=NN(CC(F)F)C=C1)C1=N[N-]N=N1	REAL300020230531	1	38	-1.0	-48.54	348.57	3.26	-45.28
O=C(NC1=NN(CC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230532	0	35	-1.0	-46.74	305.37	3.39	-43.35
O=C(NC1=NN(CC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230532	1	35	-1.0	-46.72	305.30	3.37	-43.35
O=C(NC1=NN(CC(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230533	0	41	-1.0	-50.46	327.29	5.13	-45.33
O=C(NC1=NN(CC(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230533	1	41	-1.0	-50.43	327.25	5.13	-45.30
CCCCCN1N=C(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230534	0	50	-1.0	-42.72	411.68	7.25	-35.47
CCCCCN1N=C(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230534	1	50	-1.0	-42.73	411.62	7.23	-35.50
CCCCCN1N=C(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230535	0	50	-1.0	-43.97	392.44	6.77	-37.20
CCCCCN1N=C(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230535	1	50	-1.0	-43.98	392.50	6.78	-37.20
CCCCCN1N=C(C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230536	0	47	-1.0	-53.75	376.97	5.85	-47.90
CCCCCN1N=C(C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230536	1	47	-1.0	-53.78	377.03	5.87	-47.91
CCCCCN1N=C(C)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020230537	0	50	-1.0	-46.83	420.60	5.81	-41.02
CCCCCN1N=C(C)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020230537	1	50	-1.0	-46.81	420.66	5.83	-40.98
CCCCCN1N=C(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230538	0	47	-1.0	-44.37	378.46	5.91	-38.46
CCCCCN1N=C(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230538	1	47	-1.0	-44.37	378.53	5.92	-38.45
CCCCCN1N=C(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230539	0	53	-1.0	-50.21	400.46	7.65	-42.56
CCCCCN1N=C(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230539	1	53	-1.0	-50.21	400.50	7.66	-42.55
O=C(NC1=CC(F)=CC=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230540	0	42	-1.0	-46.96	359.27	5.20	-41.76
O=C(NC1=CC(F)=CC=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230540	1	42	-1.0	-47.02	359.33	5.22	-41.80
O=C(NC1=CC(F)=CC=C1OCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020230541	0	39	-1.0	-56.70	344.35	4.24	-52.46
O=C(NC1=CC(F)=CC=C1OCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020230541	1	39	-1.0	-56.72	344.41	4.27	-52.45
O=C(NC1=CC(F)=CC=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020230542	0	39	-1.0	-47.21	346.50	4.30	-42.91
O=C(NC1=CC(F)=CC=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020230542	1	39	-1.0	-47.21	346.58	4.31	-42.90
CN1C=C(Br)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020230543	0	38	-1.0	-55.18	331.78	4.28	-50.90
CN1C=C(Br)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020230543	1	38	-1.0	-55.17	331.84	4.30	-50.87
CN1C=C(Br)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020230544	0	35	-1.0	-62.72	316.67	3.50	-59.22
CN1C=C(Br)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020230544	1	35	-1.0	-62.71	316.73	3.52	-59.19
CN1C=C(Br)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020230545	0	35	-1.0	-54.01	317.19	3.91	-50.10
CN1C=C(Br)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020230545	1	35	-1.0	-53.99	317.26	3.91	-50.08
CN1C=C(Br)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020230546	0	41	-1.0	-49.97	334.41	4.60	-45.37
CN1C=C(Br)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020230546	1	41	-1.0	-49.95	334.44	4.61	-45.34
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1N1CCOC1=O	REAL300020230547	0	47	-1.0	-60.66	397.79	6.40	-54.26
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1N1CCOC1=O	REAL300020230547	1	47	-1.0	-60.63	397.74	6.38	-54.25
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1N1CCOC1=O	REAL300020230548	0	47	-1.0	-50.01	379.28	5.88	-44.13
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1N1CCOC1=O	REAL300020230548	1	47	-1.0	-50.01	379.34	5.89	-44.12
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1N1CCOC1=O	REAL300020230549	0	44	-1.0	-60.34	363.34	5.02	-55.32
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1N1CCOC1=O	REAL300020230549	1	44	-1.0	-60.31	363.40	5.04	-55.27
CSCC[C@H](NC(=O)NC1=CC=C(C)C(N2CCOC2=O)=C1)C1=N[N-]N=N1	REAL300020230550	0	47	-1.0	-62.78	407.17	4.99	-57.79
CSCC[C@H](NC(=O)NC1=CC=C(C)C(N2CCOC2=O)=C1)C1=NN=N[N-]1	REAL300020230550	1	47	-1.0	-62.76	407.23	5.00	-57.76
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1CCOC1=O	REAL300020230551	0	44	-1.0	-58.33	365.24	5.05	-53.28
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1CCOC1=O	REAL300020230551	1	44	-1.0	-58.34	365.32	5.05	-53.29
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1N1CCOC1=O	REAL300020230552	0	50	-1.0	-54.55	386.69	6.83	-47.72
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1N1CCOC1=O	REAL300020230552	1	50	-1.0	-54.56	386.75	6.85	-47.71
O=C(NC1=CC(C(F)(F)F)=CC2=C1OCC(=O)N2)N1CCCC1C1=N[N-]N=N1	REAL300020230553	0	41	-1.0	-54.63	357.66	1.73	-52.90
O=C(NC1=CC(C(F)(F)F)=CC2=C1OCC(=O)N2)N1CCCC1C1=NN=N[N-]1	REAL300020230553	1	41	-1.0	-54.58	357.72	1.75	-52.83
O=C(NC1=CC(C(F)(F)F)=CC2=C1OCC(=O)N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020230554	0	41	-1.0	-45.51	357.85	1.80	-43.71
O=C(NC1=CC(C(F)(F)F)=CC2=C1OCC(=O)N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020230554	1	41	-1.0	-45.49	357.92	1.81	-43.68
CC1=CC=C(C(F)(F)F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230555	0	41	-1.0	-58.31	360.36	6.68	-51.63
CC1=CC=C(C(F)(F)F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230555	1	41	-1.0	-58.29	360.30	6.65	-51.64
CC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230556	0	41	-1.0	-44.98	339.10	6.11	-38.87
CC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230556	1	41	-1.0	-44.99	339.16	6.12	-38.87
CC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230557	0	38	-1.0	-55.68	325.35	5.25	-50.43
CC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230557	1	38	-1.0	-55.72	325.41	5.27	-50.45
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=CC=C1C)C1=N[N-]N=N1	REAL300020230558	0	41	-1.0	-48.09	369.85	5.27	-42.82
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=CC=C1C)C1=NN=N[N-]1	REAL300020230558	1	41	-1.0	-48.09	369.91	5.28	-42.81
CC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230559	0	38	-1.0	-46.63	326.69	5.30	-41.33
CC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230559	1	38	-1.0	-46.63	326.76	5.32	-41.31
CC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230560	0	44	-1.0	-50.91	348.98	7.03	-43.88
CC1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230560	1	44	-1.0	-50.92	349.03	7.03	-43.89
O=C(NC1=CC(Br)=C(F)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020230561	0	32	-1.0	-49.22	310.45	4.68	-44.54
O=C(NC1=CC(Br)=C(F)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020230561	1	32	-1.0	-49.31	310.51	4.71	-44.60
O=C(NC1=CC(Br)=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020230562	0	32	-1.0	-40.19	311.84	4.74	-35.45
O=C(NC1=CC(Br)=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020230562	1	32	-1.0	-40.16	311.91	4.75	-35.41
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(=O)N(C)C	REAL300020230563	0	48	-1.0	-44.76	395.03	5.35	-39.41
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(=O)N(C)C	REAL300020230563	1	48	-1.0	-44.72	394.97	5.32	-39.40
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(=O)N(C)C	REAL300020230564	0	48	-1.0	-48.29	376.99	4.86	-43.43
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(=O)N(C)C	REAL300020230564	1	48	-1.0	-48.27	377.04	4.88	-43.39
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(=O)N(C)C	REAL300020230565	0	45	-1.0	-55.46	361.98	3.92	-51.54
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(=O)N(C)C	REAL300020230565	1	45	-1.0	-55.41	362.04	3.93	-51.48
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020230566	0	48	-1.0	-50.41	404.64	3.81	-46.60
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020230566	1	48	-1.0	-50.40	404.70	3.82	-46.58
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(=O)N(C)C	REAL300020230567	0	45	-1.0	-45.76	363.36	3.98	-41.78
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(=O)N(C)C	REAL300020230567	1	45	-1.0	-45.74	363.43	3.99	-41.75
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(=O)N(C)C	REAL300020230568	0	51	-1.0	-53.87	385.89	5.69	-48.18
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(=O)N(C)C	REAL300020230568	1	51	-1.0	-53.90	385.94	5.69	-48.21
CC1CCN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)CC1	REAL300020230569	0	53	-1.0	-41.79	417.07	6.60	-35.19
CC1CCN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)CC1	REAL300020230569	1	53	-1.0	-41.79	417.13	6.62	-35.17
CC1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC1	REAL300020230570	0	53	-1.0	-43.80	397.88	6.15	-37.65
CC1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020230570	1	53	-1.0	-43.76	397.94	6.16	-37.60
CC1CCN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020230571	0	50	-1.0	-56.39	382.43	5.24	-51.15
CC1CCN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020230571	1	50	-1.0	-56.38	382.49	5.26	-51.12
CSCC[C@H](NC(=O)NC1=CC=C(N2CCC(C)CC2)C=C1)C1=N[N-]N=N1	REAL300020230572	0	53	-1.0	-46.15	426.13	5.19	-40.96
CSCC[C@H](NC(=O)NC1=CC=C(N2CCC(C)CC2)C=C1)C1=NN=N[N-]1	REAL300020230572	1	53	-1.0	-46.15	426.19	5.21	-40.94
CC1CCN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020230573	0	50	-1.0	-44.38	383.95	5.29	-39.09
CC1CCN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020230573	1	50	-1.0	-44.40	384.03	5.29	-39.11
CC1CCN(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020230574	0	56	-1.0	-49.24	405.90	7.05	-42.19
CC1CCN(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020230574	1	56	-1.0	-49.24	405.94	7.05	-42.19
CN1CCOC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020230575	0	45	-1.0	-55.24	369.12	3.38	-51.86
CN1CCOC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020230575	1	45	-1.0	-55.28	369.06	3.36	-51.92
CN1CCOC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020230576	0	45	-1.0	-45.19	349.41	2.84	-42.35
CN1CCOC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020230576	1	45	-1.0	-45.15	349.47	2.85	-42.30
CN1CCOC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020230577	0	42	-1.0	-54.67	333.86	1.93	-52.74
CN1CCOC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020230577	1	42	-1.0	-54.68	333.92	1.95	-52.73
CSCC[C@H](NC(=O)NC1=CC=C2OCCN(C)C2=C1)C1=N[N-]N=N1	REAL300020230578	0	45	-1.0	-47.38	377.97	1.95	-45.43
CSCC[C@H](NC(=O)NC1=CC=C2OCCN(C)C2=C1)C1=NN=N[N-]1	REAL300020230578	1	45	-1.0	-47.38	378.03	1.97	-45.41
CN1CCOC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020230579	0	42	-1.0	-45.53	335.25	1.98	-43.55
CN1CCOC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020230579	1	42	-1.0	-45.52	335.33	2.00	-43.52
CN1CCOC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020230580	0	48	-1.0	-42.91	363.64	3.04	-39.87
CN1CCOC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020230580	1	48	-1.0	-42.90	363.69	3.07	-39.83
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230581	0	48	-1.0	-47.73	394.32	5.93	-41.80
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230581	1	48	-1.0	-47.70	394.37	5.94	-41.76
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230582	0	45	-1.0	-58.51	379.02	5.02	-53.49
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230582	1	45	-1.0	-58.54	379.08	5.03	-53.51
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230583	0	45	-1.0	-50.15	380.39	5.07	-45.08
O=C(NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230583	1	45	-1.0	-50.12	380.46	5.08	-45.04
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020230584	0	49	-1.0	-55.08	403.69	8.68	-46.40
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020230584	1	49	-1.0	-55.10	403.75	8.70	-46.40
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020230585	0	49	-1.0	-45.10	405.57	8.77	-36.33
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020230585	1	49	-1.0	-45.15	405.64	8.78	-36.37
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCCC(=O)C2=C1	REAL300020230586	0	44	-1.0	-51.76	368.12	6.38	-45.38
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCCC(=O)C2=C1	REAL300020230586	1	44	-1.0	-51.68	368.06	6.36	-45.32
O=C(NC1=CC=C2CCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230587	0	44	-1.0	-45.87	348.97	5.88	-39.99
O=C(NC1=CC=C2CCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230587	1	44	-1.0	-45.93	349.03	5.89	-40.04
O=C(NC1=CC=C2CCCC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230588	0	41	-1.0	-64.94	333.74	4.96	-59.98
O=C(NC1=CC=C2CCCC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230588	1	41	-1.0	-64.91	333.79	4.98	-59.93
CSCC[C@H](NC(=O)NC1=CC=C2CCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300020230589	0	44	-1.0	-56.29	377.23	4.92	-51.37
CSCC[C@H](NC(=O)NC1=CC=C2CCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300020230589	1	44	-1.0	-56.29	377.29	4.94	-51.35
O=C(NC1=CC=C2CCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230590	0	41	-1.0	-55.78	334.79	5.04	-50.74
O=C(NC1=CC=C2CCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230590	1	41	-1.0	-55.81	334.86	5.05	-50.76
O=C(NC1=CC=C2CCCC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230591	0	47	-1.0	-48.88	363.46	6.06	-42.82
O=C(NC1=CC=C2CCCC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230591	1	47	-1.0	-48.89	363.51	6.09	-42.80
O=C(NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230592	0	42	-1.0	-52.56	363.31	7.57	-44.99
O=C(NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230592	1	42	-1.0	-52.48	363.37	7.59	-44.89
O=C(NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230593	0	42	-1.0	-43.31	364.82	7.60	-35.71
O=C(NC1=CC=CC=C1C1=CC(F)=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230593	1	42	-1.0	-43.32	364.89	7.62	-35.70
CCCCCCOC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020230594	0	53	-1.0	-57.29	431.00	8.11	-49.18
CCCCCCOC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020230594	1	53	-1.0	-57.31	431.06	8.12	-49.19
CCCCCCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020230595	0	53	-1.0	-44.23	432.68	8.14	-36.09
CCCCCCOC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020230595	1	53	-1.0	-44.26	432.76	8.15	-36.11
O=C(OC1CCCC1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020230596	0	51	-1.0	-44.21	404.56	7.91	-36.30
O=C(OC1CCCC1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020230596	1	51	-1.0	-44.26	404.62	7.93	-36.33
O=C(NC1=CC=C(C(=O)OC2CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230597	0	48	-1.0	-55.12	389.41	6.97	-48.15
O=C(NC1=CC=C(C(=O)OC2CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230597	1	48	-1.0	-55.11	389.47	6.98	-48.13
O=C(NC1=CC=C(C(=O)OC2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230598	0	48	-1.0	-44.56	390.78	7.02	-37.54
O=C(NC1=CC=C(C(=O)OC2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230598	1	48	-1.0	-44.54	390.85	7.03	-37.51
O=C(OC1CCCC1)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020230599	0	54	-1.0	-49.43	412.71	8.80	-40.63
O=C(OC1CCCC1)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020230599	1	54	-1.0	-49.45	412.76	8.81	-40.64
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230600	0	44	-1.0	-51.28	377.68	4.23	-47.05
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230600	1	44	-1.0	-51.30	377.62	4.21	-47.09
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230601	0	44	-1.0	-45.64	358.90	3.67	-41.97
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230601	1	44	-1.0	-45.64	358.96	3.69	-41.95
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230602	0	41	-1.0	-55.29	343.30	2.78	-52.51
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230602	1	41	-1.0	-55.31	343.36	2.80	-52.51
CSCC[C@H](NC(=O)NC1=CC=C2N=C(C3CC3)OC2=C1)C1=N[N-]N=N1	REAL300020230603	0	44	-1.0	-48.20	386.84	2.75	-45.45
CSCC[C@H](NC(=O)NC1=CC=C2N=C(C3CC3)OC2=C1)C1=NN=N[N-]1	REAL300020230603	1	44	-1.0	-48.18	386.90	2.77	-45.41
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230604	0	41	-1.0	-45.50	344.69	2.84	-42.66
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230604	1	41	-1.0	-45.51	344.76	2.84	-42.67
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230605	0	47	-1.0	-44.56	371.35	3.83	-40.73
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230605	1	47	-1.0	-44.58	371.37	3.85	-40.73
CC1=CC(=O)N(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230606	0	41	-1.0	-47.41	345.47	4.12	-43.29
CC1=CC(=O)N(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230606	1	41	-1.0	-47.41	345.41	4.10	-43.31
CC1=CC(=O)N(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230607	0	41	-1.0	-45.97	324.53	3.69	-42.28
CC1=CC(=O)N(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230607	1	41	-1.0	-45.96	324.58	3.70	-42.26
CC1=CC(=O)N(C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230608	0	38	-1.0	-55.52	312.87	2.66	-52.86
CC1=CC(=O)N(C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230608	1	38	-1.0	-55.52	312.93	2.68	-52.84
CSCC[C@H](NC(=O)NC1=CN(C)C(=O)C=C1C)C1=N[N-]N=N1	REAL300020230609	0	41	-1.0	-49.69	356.39	2.62	-47.07
CSCC[C@H](NC(=O)NC1=CN(C)C(=O)C=C1C)C1=NN=N[N-]1	REAL300020230609	1	41	-1.0	-49.72	356.45	2.63	-47.09
CC1=CC(=O)N(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230610	0	38	-1.0	-49.44	313.77	2.74	-46.70
CC1=CC(=O)N(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230610	1	38	-1.0	-49.44	313.85	2.75	-46.69
CC1=CC(=O)N(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230611	0	44	-1.0	-53.18	336.53	4.55	-48.63
CC1=CC(=O)N(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230611	1	44	-1.0	-53.13	336.58	4.57	-48.56
CC1=NC(C2=CC=C(C)C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=NN1	REAL300020230612	0	47	-1.0	-51.10	398.28	6.43	-44.67
CC1=NC(C2=CC=C(C)C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=NN1	REAL300020230612	1	47	-1.0	-51.06	398.23	6.40	-44.66
CC1=NC(C2=CC=C(C)C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=NN1	REAL300020230613	0	47	-1.0	-53.81	378.43	5.90	-47.91
CC1=NC(C2=CC=C(C)C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=NN1	REAL300020230613	1	47	-1.0	-53.80	378.48	5.91	-47.89
CC1=NC(C2=CC=C(C)C(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=NN1	REAL300020230614	0	44	-1.0	-64.76	363.39	4.95	-59.81
CC1=NC(C2=CC=C(C)C(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=NN1	REAL300020230614	1	44	-1.0	-64.74	363.45	4.96	-59.78
CSCC[C@H](NC(=O)NC1=CC(C2=NNC(C)=N2)=CC=C1C)C1=N[N-]N=N1	REAL300020230615	0	47	-1.0	-56.61	407.90	4.98	-51.63
CSCC[C@H](NC(=O)NC1=CC(C2=NNC(C)=N2)=CC=C1C)C1=NN=N[N-]1	REAL300020230615	1	47	-1.0	-56.60	407.96	4.99	-51.61
CC1=NC(C2=CC=C(C)C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=NN1	REAL300020230616	0	44	-1.0	-54.47	364.73	5.02	-49.45
CC1=NC(C2=CC=C(C)C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=NN1	REAL300020230616	1	44	-1.0	-54.43	364.81	5.03	-49.40
CC1=NC(C2=CC=C(C)C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=NN1	REAL300020230617	0	50	-1.0	-49.40	387.26	5.98	-43.42
CC1=NC(C2=CC=C(C)C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=NN1	REAL300020230617	1	50	-1.0	-49.37	387.29	6.02	-43.35
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(OC2CCC2)C(F)=C1	REAL300020230618	0	46	-1.0	-51.99	387.44	6.38	-45.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(OC2CCC2)C(F)=C1	REAL300020230618	1	46	-1.0	-52.03	387.50	6.41	-45.62
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230619	0	46	-1.0	-42.98	368.40	5.92	-37.06
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230619	1	46	-1.0	-43.02	368.46	5.94	-37.08
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230620	0	43	-1.0	-51.45	352.72	5.05	-46.40
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230620	1	43	-1.0	-51.49	352.78	5.06	-46.43
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCC2)C(F)=C1)C1=N[N-]N=N1	REAL300020230621	0	46	-1.0	-45.21	395.92	5.00	-40.21
CSCC[C@H](NC(=O)NC1=CC=C(OC2CCC2)C(F)=C1)C1=NN=N[N-]1	REAL300020230621	1	46	-1.0	-45.21	395.98	5.02	-40.19
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230622	0	43	-1.0	-42.88	354.09	5.11	-37.77
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230622	1	43	-1.0	-42.89	354.17	5.11	-37.78
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230623	0	49	-1.0	-40.88	383.86	6.12	-34.76
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CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230673	1	46	-1.0	-54.45	379.18	7.02	-47.43
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1OC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020230674	0	49	-1.0	-47.97	422.32	6.91	-41.06
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1OC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020230674	1	49	-1.0	-47.98	422.38	6.93	-41.05
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230675	0	46	-1.0	-43.49	380.46	7.04	-36.45
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230675	1	46	-1.0	-43.50	380.53	7.06	-36.44
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230676	0	52	-1.0	-50.19	401.05	8.84	-41.35
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230676	1	52	-1.0	-50.18	401.10	8.84	-41.34
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1C(F)(F)F	REAL300020230677	0	41	-1.0	-50.01	354.61	6.52	-43.49
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1C(F)(F)F	REAL300020230677	1	41	-1.0	-50.00	354.55	6.50	-43.50
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1C(F)(F)F	REAL300020230678	0	41	-1.0	-41.53	334.32	6.03	-35.50
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1C(F)(F)F	REAL300020230678	1	41	-1.0	-41.57	334.37	6.04	-35.53
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL300020230679	0	38	-1.0	-50.50	319.12	5.10	-45.40
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL300020230679	1	38	-1.0	-50.52	319.18	5.12	-45.40
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)(F)F)=C1C)C1=N[N-]N=N1	REAL300020230680	0	41	-1.0	-43.59	362.81	5.04	-38.55
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)(F)F)=C1C)C1=NN=N[N-]1	REAL300020230680	1	41	-1.0	-43.62	362.86	5.06	-38.56
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1C(F)(F)F	REAL300020230681	0	38	-1.0	-41.28	320.67	5.14	-36.14
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1C(F)(F)F	REAL300020230681	1	38	-1.0	-41.33	320.74	5.15	-36.18
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL300020230682	0	44	-1.0	-46.11	342.91	6.84	-39.27
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL300020230682	1	44	-1.0	-46.10	342.96	6.85	-39.25
CN1CCC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C1=O	REAL300020230683	0	46	-1.0	-48.38	382.20	5.40	-42.98
CN1CCC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C1=O	REAL300020230683	1	46	-1.0	-48.40	382.14	5.37	-43.03
CN1CCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C1=O	REAL300020230684	0	46	-1.0	-48.65	363.69	4.79	-43.86
CN1CCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C1=O	REAL300020230684	1	46	-1.0	-48.67	363.75	4.81	-43.86
CN1CCC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C1=O	REAL300020230685	0	43	-1.0	-76.99	347.87	3.95	-73.04
CN1CCC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C1=O	REAL300020230685	1	43	-1.0	-77.03	347.93	3.97	-73.06
CSCC[C@H](NC(=O)NC1=CC=C2CCN(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL300020230686	0	46	-1.0	-62.11	391.49	3.90	-58.21
CSCC[C@H](NC(=O)NC1=CC=C2CCN(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL300020230686	1	46	-1.0	-62.09	391.55	3.91	-58.18
CN1CCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020230687	0	43	-1.0	-59.03	349.23	4.00	-55.03
CN1CCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020230687	1	43	-1.0	-58.98	349.31	4.01	-54.97
CN1CCC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1=O	REAL300020230688	0	49	-1.0	-50.86	375.91	5.01	-45.85
CN1CCC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1=O	REAL300020230688	1	49	-1.0	-54.23	375.93	5.00	-49.23
COC1=C(F)C=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230689	0	39	-1.0	-39.45	347.28	4.45	-35.00
COC1=C(F)C=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230689	1	39	-1.0	-39.45	347.22	4.43	-35.02
COC1=C(F)C=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230690	0	39	-1.0	-41.14	327.74	3.97	-37.17
COC1=C(F)C=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230690	1	39	-1.0	-41.12	327.80	3.98	-37.14
COC1=C(F)C=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230691	0	36	-1.0	-48.39	313.06	3.04	-45.35
COC1=C(F)C=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230691	1	36	-1.0	-48.41	313.12	3.06	-45.35
COC1=C(F)C=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020230692	0	39	-1.0	-44.14	357.40	3.00	-41.14
COC1=C(F)C=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020230692	1	39	-1.0	-44.18	357.46	3.02	-41.16
COC1=C(F)C=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230693	0	36	-1.0	-40.55	315.25	3.08	-37.47
COC1=C(F)C=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230693	1	36	-1.0	-40.59	315.33	3.09	-37.50
COC1=C(F)C=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230694	0	42	-1.0	-48.43	335.93	4.96	-43.47
COC1=C(F)C=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230694	1	42	-1.0	-48.44	335.97	4.97	-43.47
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=N1	REAL300020230695	0	38	-1.0	-39.54	344.00	2.02	-37.52
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=N1	REAL300020230695	1	38	-1.0	-39.51	343.94	2.00	-37.51
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=N1	REAL300020230696	0	38	-1.0	-40.79	324.11	1.51	-39.28
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=N1	REAL300020230696	1	38	-1.0	-40.75	324.05	1.49	-39.26
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=N1	REAL300020230697	0	35	-1.0	-48.39	309.92	0.64	-47.75
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=N1	REAL300020230697	1	35	-1.0	-48.40	309.86	0.63	-47.77
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=N1	REAL300020230698	0	38	-1.0	-42.32	354.30	0.63	-41.69
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=N1	REAL300020230698	1	38	-1.0	-42.29	354.24	0.62	-41.67
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=N1	REAL300020230699	0	35	-1.0	-40.14	311.29	0.69	-39.45
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=N1	REAL300020230699	1	35	-1.0	-40.14	311.21	0.69	-39.45
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=N1	REAL300020230700	0	41	-1.0	-40.51	336.43	1.73	-38.78
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=N1	REAL300020230700	1	41	-1.0	-40.52	336.40	1.72	-38.80
COC1=NC=NC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230701	0	37	-1.0	-41.13	323.34	1.35	-39.78
COC1=NC=NC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230701	1	37	-1.0	-41.14	323.28	1.32	-39.82
COC1=NC=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230702	0	37	-1.0	-42.30	303.79	0.89	-41.41
COC1=NC=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230702	1	37	-1.0	-42.31	303.73	0.87	-41.44
COC1=NC=NC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020230703	0	37	-1.0	-45.60	333.56	-0.08	-45.68
COC1=NC=NC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020230703	1	37	-1.0	-45.58	333.51	-0.10	-45.68
COC1=NC=NC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230704	0	40	-1.0	-49.17	313.05	1.85	-47.32
COC1=NC=NC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230704	1	40	-1.0	-49.13	313.00	1.85	-47.28
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230705	0	42	-1.0	-50.36	365.75	6.13	-44.23
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230705	1	42	-1.0	-50.30	365.69	6.11	-44.19
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230706	0	42	-1.0	-52.10	346.55	5.65	-46.45
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230706	1	42	-1.0	-52.14	346.50	5.63	-46.51
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230707	0	39	-1.0	-64.13	331.12	4.75	-59.38
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230707	1	39	-1.0	-64.11	331.06	4.72	-59.39
CSCC[C@H](NC(=O)NC1=CN(C2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL300020230708	0	42	-1.0	-56.24	374.73	4.71	-51.53
CSCC[C@H](NC(=O)NC1=CN(C2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL300020230708	1	42	-1.0	-56.22	374.67	4.69	-51.53
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230709	0	39	-1.0	-52.89	332.60	4.78	-48.11
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230709	1	39	-1.0	-52.86	332.52	4.77	-48.09
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230710	0	45	-1.0	-60.85	354.53	6.54	-54.31
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230710	1	45	-1.0	-60.84	354.49	6.53	-54.31
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=N1	REAL300020230711	0	40	-1.0	-44.31	338.34	4.53	-39.78
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=N1	REAL300020230711	1	40	-1.0	-44.27	338.28	4.50	-39.77
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020230712	0	40	-1.0	-43.34	319.27	4.01	-39.33
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020230712	1	40	-1.0	-43.34	319.33	4.03	-39.31
CSCC[C@H](NC(=O)NC1=CC=C(C)N=C1C)C1=N[N-]N=N1	REAL300020230713	0	40	-1.0	-45.96	346.54	3.01	-42.95
CSCC[C@H](NC(=O)NC1=CC=C(C)N=C1C)C1=NN=N[N-]1	REAL300020230713	1	40	-1.0	-45.95	346.60	3.02	-42.93
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020230714	0	43	-1.0	-48.74	324.71	4.78	-43.96
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020230714	1	43	-1.0	-48.74	324.75	4.79	-43.95
O=C(NC1=CC2=CC=C(Br)C=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230715	0	38	-1.0	-54.14	335.87	6.28	-47.86
O=C(NC1=CC2=CC=C(Br)C=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230715	1	38	-1.0	-54.13	335.93	6.29	-47.84
O=C(NC1=CC2=CC=C(Br)C=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230716	0	38	-1.0	-43.38	337.59	6.30	-37.08
O=C(NC1=CC2=CC=C(Br)C=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230716	1	38	-1.0	-43.42	337.66	6.30	-37.12
CC1=CN(C)C(=O)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230717	0	41	-1.0	-60.84	350.20	5.24	-55.60
CC1=CN(C)C(=O)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020230717	1	41	-1.0	-60.84	350.14	5.22	-55.62
CC1=CN(C)C(=O)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230718	0	41	-1.0	-47.67	327.09	3.68	-43.99
CC1=CN(C)C(=O)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230718	1	41	-1.0	-47.75	327.15	3.70	-44.05
CC1=CN(C)C(=O)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230719	0	38	-1.0	-66.51	316.38	3.54	-62.97
CC1=CN(C)C(=O)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230719	1	38	-1.0	-66.52	316.44	3.56	-62.96
CSCC[C@H](NC(=O)NC1=CC(C)=CN(C)C1=O)C1=N[N-]N=N1	REAL300020230720	0	41	-1.0	-67.18	359.91	3.50	-63.68
CSCC[C@H](NC(=O)NC1=CC(C)=CN(C)C1=O)C1=NN=N[N-]1	REAL300020230720	1	41	-1.0	-67.16	359.97	3.51	-63.65
CC1=CN(C)C(=O)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230721	0	38	-1.0	-58.58	317.39	3.64	-54.94
CC1=CN(C)C(=O)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230721	1	38	-1.0	-58.60	317.46	3.64	-54.96
CC1=CN(C)C(=O)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230722	0	44	-1.0	-60.22	338.24	5.57	-54.65
CC1=CN(C)C(=O)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230722	1	44	-1.0	-60.21	338.27	5.59	-54.62
CN1N=C(C2CCC2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230723	0	45	-1.0	-43.43	370.64	6.02	-37.41
CN1N=C(C2CCC2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230723	1	45	-1.0	-43.43	370.58	6.00	-37.43
CN1N=C(C2CCC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230724	0	45	-1.0	-45.39	351.40	5.52	-39.87
CN1N=C(C2CCC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230724	1	45	-1.0	-45.38	351.46	5.54	-39.84
CN1N=C(C2CCC2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230725	0	42	-1.0	-55.39	335.95	4.63	-50.76
CN1N=C(C2CCC2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230725	1	42	-1.0	-55.41	336.01	4.64	-50.77
CSCC[C@H](NC(=O)NC1=CC(C2CCC2)=NN1C)C1=N[N-]N=N1	REAL300020230726	0	45	-1.0	-47.90	379.56	4.58	-43.32
CSCC[C@H](NC(=O)NC1=CC(C2CCC2)=NN1C)C1=NN=N[N-]1	REAL300020230726	1	45	-1.0	-47.91	379.62	4.60	-43.31
CN1N=C(C2CCC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230727	0	42	-1.0	-45.05	337.43	4.68	-40.37
CN1N=C(C2CCC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230727	1	42	-1.0	-45.14	337.51	4.68	-40.46
CN1N=C(C2CCC2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230728	0	48	-1.0	-52.14	359.39	6.41	-45.73
CN1N=C(C2CCC2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230728	1	48	-1.0	-52.14	359.43	6.41	-45.73
O=C([N-]C1=NC(SCC2=CC=CC=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020230729	0	40	-2.0	-108.51	372.08	5.06	-103.45
O=C([N-]C1=NC(SCC2=CC=CC=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020230729	1	40	-2.0	-108.51	372.14	5.08	-103.43
O=C([N-]C1=NC(SCC2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230730	0	40	-2.0	-88.44	372.90	5.12	-83.32
O=C([N-]C1=NC(SCC2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230730	1	40	-2.0	-88.46	372.83	5.11	-83.35
CCCSC1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020230731	0	39	-2.0	-84.61	366.51	4.07	-80.54
CCCSC1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020230731	1	39	-2.0	-84.59	366.45	4.05	-80.54
CCCSC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020230732	0	39	-2.0	-87.18	349.53	3.96	-83.22
CCCSC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020230732	1	39	-2.0	-87.19	349.47	3.94	-83.25
CCCSC1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020230733	0	36	-2.0	-106.58	333.68	2.82	-103.76
CCCSC1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020230733	1	36	-2.0	-106.54	333.73	2.84	-103.70
CCCSC1=NSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020230734	0	39	-2.0	-97.25	375.45	2.64	-94.61
CCCSC1=NSC([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020230734	1	39	-2.0	-97.24	375.50	2.66	-94.58
CCCSC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020230735	0	36	-2.0	-86.75	334.49	2.88	-83.87
CCCSC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020230735	1	36	-2.0	-86.74	334.42	2.87	-83.87
CCCSC1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020230736	0	42	-2.0	-106.62	358.05	4.81	-101.81
CCCSC1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020230736	1	42	-2.0	-106.63	358.00	4.81	-101.82
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230737	0	40	-2.0	-90.03	366.35	5.39	-84.64
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230737	1	40	-2.0	-90.04	366.29	5.37	-84.67
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020230738	0	37	-2.0	-109.47	350.50	4.25	-105.22
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020230738	1	37	-2.0	-109.50	350.56	4.27	-105.23
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230739	0	37	-2.0	-89.57	351.32	4.32	-85.25
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230739	1	37	-2.0	-89.57	351.24	4.31	-85.26
O=C(NC1=CC=C(Br)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230740	0	34	-1.0	-41.05	319.53	3.54	-37.51
O=C(NC1=CC=C(Br)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230740	1	34	-1.0	-41.06	319.48	3.52	-37.54
O=C(NC1=CC=C(Br)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230741	0	34	-1.0	-45.77	300.52	2.98	-42.79
O=C(NC1=CC=C(Br)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230741	1	34	-1.0	-45.76	300.46	2.96	-42.80
O=C(NC1=CC=C(Br)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230742	0	31	-1.0	-49.84	285.14	2.13	-47.71
O=C(NC1=CC=C(Br)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230742	1	31	-1.0	-49.80	285.08	2.11	-47.69
CSCC[C@H](NC(=O)NC1=CC=C(Br)N=C1)C1=NN=N[N-]1	REAL300020230743	0	34	-1.0	-44.13	328.45	2.11	-42.02
CSCC[C@H](NC(=O)NC1=CC=C(Br)N=C1)C1=N[N-]N=N1	REAL300020230743	1	34	-1.0	-44.13	328.40	2.10	-42.03
O=C(NC1=CC=C(Br)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230744	0	31	-1.0	-42.19	286.53	2.18	-40.01
O=C(NC1=CC=C(Br)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230744	1	31	-1.0	-42.17	286.46	2.18	-39.99
O=C(NC1=CC=C(Br)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230745	0	37	-1.0	-38.36	314.92	3.18	-35.18
O=C(NC1=CC=C(Br)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230745	1	37	-1.0	-38.28	314.87	3.16	-35.12
O=C(NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230746	0	48	-1.0	-50.23	393.14	7.05	-43.18
O=C(NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230746	1	48	-1.0	-50.20	393.20	7.07	-43.13
O=C(NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O)N1CCCC1C1=N[N-]N=N1	REAL300020230747	0	45	-1.0	-78.94	381.66	7.22	-71.72
O=C(NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O)N1CCCC1C1=NN=N[N-]1	REAL300020230747	1	45	-1.0	-78.97	381.71	7.25	-71.72
O=C(NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230748	0	45	-1.0	-62.00	383.33	6.98	-55.02
O=C(NC1=CC=CN(CC2=CC=C(F)C=C2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230748	1	45	-1.0	-62.01	383.40	7.00	-55.01
O=C(NC1=CC=C(Cl)C(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230749	0	35	-1.0	-40.66	320.17	5.35	-35.31
O=C(NC1=CC=C(Cl)C(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230749	1	35	-1.0	-40.66	320.23	5.37	-35.29
O=C(NC1=CC=C(Cl)C(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230750	0	32	-1.0	-55.14	304.62	4.47	-50.67
O=C(NC1=CC=C(Cl)C(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230750	1	32	-1.0	-55.13	304.68	4.49	-50.64
O=C(NC1=CC=C(Cl)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230751	0	32	-1.0	-44.56	306.00	4.53	-40.03
O=C(NC1=CC=C(Cl)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230751	1	32	-1.0	-44.58	306.07	4.53	-40.05
O=C(NC1=CC=C(Cl)C(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230752	0	38	-1.0	-37.38	334.65	5.54	-31.84
O=C(NC1=CC=C(Cl)C(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230752	1	38	-1.0	-37.40	334.71	5.57	-31.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC(Cl)=C1	REAL300020230753	0	35	-1.0	-40.32	326.45	5.34	-34.98
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC(Cl)=C1	REAL300020230753	1	35	-1.0	-40.31	326.40	5.32	-34.99
O=C(NC1=CC(F)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230754	0	35	-1.0	-41.79	307.20	4.87	-36.92
O=C(NC1=CC(F)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230754	1	35	-1.0	-41.79	307.26	4.88	-36.91
O=C(NC1=CC(F)=CC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230755	0	32	-1.0	-49.72	291.90	3.96	-45.76
O=C(NC1=CC(F)=CC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230755	1	32	-1.0	-49.72	291.96	3.98	-45.74
CSCC[C@H](NC(=O)NC1=CC(F)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020230756	0	35	-1.0	-44.79	335.16	3.95	-40.84
CSCC[C@H](NC(=O)NC1=CC(F)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020230756	1	35	-1.0	-44.85	335.22	3.97	-40.88
O=C(NC1=CC(F)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230757	0	32	-1.0	-41.76	293.04	4.04	-37.72
O=C(NC1=CC(F)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230757	1	32	-1.0	-41.80	293.11	4.04	-37.76
O=C(NC1=CC(F)=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230758	0	38	-1.0	-37.26	319.63	5.01	-32.25
O=C(NC1=CC(F)=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230758	1	38	-1.0	-37.28	319.69	5.03	-32.25
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C1=NC=CO1	REAL300020230759	0	44	-1.0	-60.78	375.07	4.81	-55.97
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C1=NC=CO1	REAL300020230759	1	44	-1.0	-60.75	375.01	4.79	-55.96
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C1=NC=CO1	REAL300020230760	0	44	-1.0	-46.10	358.96	3.19	-42.91
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C1=NC=CO1	REAL300020230760	1	44	-1.0	-46.08	359.02	3.21	-42.87
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C1=NC=CO1	REAL300020230761	0	41	-1.0	-67.76	343.51	2.34	-65.42
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C1=NC=CO1	REAL300020230761	1	41	-1.0	-67.83	343.57	2.36	-65.47
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C2=NC=CO2)=C1)C1=N[N-]N=N1	REAL300020230762	0	44	-1.0	-54.88	384.01	3.37	-51.51
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C2=NC=CO2)=C1)C1=NN=N[N-]1	REAL300020230762	1	44	-1.0	-54.89	384.07	3.39	-51.50
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=NC=CO1	REAL300020230763	0	41	-1.0	-53.52	344.86	2.39	-51.13
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=NC=CO1	REAL300020230763	1	41	-1.0	-53.55	344.93	2.40	-51.15
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=NC=CO1	REAL300020230764	0	47	-1.0	-49.41	372.00	3.34	-46.07
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1=NC=CO1	REAL300020230764	1	47	-1.0	-49.42	372.03	3.36	-46.06
CCOC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230765	0	42	-1.0	-41.84	355.08	5.28	-36.56
CCOC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230765	1	42	-1.0	-41.76	355.13	5.30	-36.46
CCOC1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230766	0	39	-1.0	-50.71	339.65	4.35	-46.36
CCOC1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230766	1	39	-1.0	-50.74	339.71	4.38	-46.36
CCOC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230767	0	39	-1.0	-41.64	341.82	4.39	-37.25
CCOC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230767	1	39	-1.0	-41.61	341.90	4.40	-37.21
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230768	0	42	-1.0	-64.02	367.38	2.71	-61.31
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230768	1	42	-1.0	-64.05	367.32	2.68	-61.37
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230769	0	42	-1.0	-54.07	348.58	2.14	-51.93
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230769	1	42	-1.0	-54.11	348.64	2.16	-51.95
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230770	0	39	-1.0	-73.81	333.28	1.24	-72.57
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230770	1	39	-1.0	-73.78	333.34	1.25	-72.53
CSCC[C@H](NC(=O)NC1=CC=C2CCS(=O)(=O)C2=C1)C1=N[N-]N=N1	REAL300020230771	0	42	-1.0	-70.01	376.56	1.23	-68.78
CSCC[C@H](NC(=O)NC1=CC=C2CCS(=O)(=O)C2=C1)C1=NN=N[N-]1	REAL300020230771	1	42	-1.0	-70.01	376.62	1.24	-68.77
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230772	0	39	-1.0	-53.26	334.67	1.30	-51.96
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230772	1	39	-1.0	-53.26	334.74	1.31	-51.95
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230773	0	45	-1.0	-56.34	363.54	2.33	-54.01
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230773	1	45	-1.0	-56.37	363.60	2.36	-54.01
CC1=COC(C2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2C)=N1	REAL300020230774	0	47	-1.0	-50.85	396.78	4.57	-46.28
CC1=COC(C2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2C)=N1	REAL300020230774	1	47	-1.0	-50.81	396.73	4.54	-46.27
CC1=COC(C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2C)=N1	REAL300020230775	0	47	-1.0	-53.61	377.99	4.03	-49.58
CC1=COC(C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2C)=N1	REAL300020230775	1	47	-1.0	-53.63	378.05	4.05	-49.58
CC1=COC(C2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2C)=N1	REAL300020230776	0	44	-1.0	-64.17	361.94	3.17	-61.00
CC1=COC(C2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2C)=N1	REAL300020230776	1	44	-1.0	-64.16	362.00	3.18	-60.98
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C2=NC(C)=CO2)=C1)C1=N[N-]N=N1	REAL300020230777	0	47	-1.0	-60.64	405.63	3.14	-57.50
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C2=NC(C)=CO2)=C1)C1=NN=N[N-]1	REAL300020230777	1	47	-1.0	-60.61	405.68	3.15	-57.46
CC1=COC(C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2C)=N1	REAL300020230778	0	44	-1.0	-54.39	366.85	2.99	-51.40
CC1=COC(C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2C)=N1	REAL300020230778	1	44	-1.0	-54.40	366.93	3.00	-51.40
CC1=COC(C2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2C)=N1	REAL300020230779	0	50	-1.0	-49.22	392.78	4.25	-44.97
CC1=COC(C2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2C)=N1	REAL300020230779	1	50	-1.0	-49.22	392.83	4.25	-44.97
CCCCN1C=CN=C1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230780	0	54	-1.0	-53.12	420.48	8.49	-44.63
CCCCN1C=CN=C1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230780	1	54	-1.0	-53.16	420.53	8.51	-44.65
CCCCN1C=CN=C1C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230781	0	51	-1.0	-72.70	405.24	7.55	-65.15
CCCCN1C=CN=C1C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230781	1	51	-1.0	-72.73	405.29	7.57	-65.16
CCCCN1C=CN=C1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230782	0	51	-1.0	-56.15	406.83	7.60	-48.55
CCCCN1C=CN=C1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230782	1	51	-1.0	-56.20	406.90	7.62	-48.58
CCC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230783	0	41	-1.0	-41.44	343.79	6.58	-34.86
CCC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230783	1	41	-1.0	-41.47	343.85	6.60	-34.87
CCC1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230784	0	38	-1.0	-50.69	327.82	5.62	-45.07
CCC1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230784	1	38	-1.0	-50.71	327.88	5.65	-45.06
CCC1=CC(Br)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020230785	0	41	-1.0	-43.88	371.35	5.58	-38.30
CCC1=CC(Br)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020230785	1	41	-1.0	-43.86	371.41	5.60	-38.26
CCC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230786	0	38	-1.0	-41.89	329.17	5.68	-36.21
CCC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230786	1	38	-1.0	-41.92	329.25	5.69	-36.23
CCC1=CC(Br)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230787	0	44	-1.0	-47.96	351.64	7.53	-40.43
CCC1=CC(Br)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230787	1	44	-1.0	-47.94	351.69	7.53	-40.41
NS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020230788	0	40	-1.0	-61.16	357.53	-0.29	-61.45
NS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020230788	1	40	-1.0	-61.16	357.47	-0.32	-61.48
NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020230789	0	40	-1.0	-49.50	338.48	-0.77	-50.27
NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020230789	1	40	-1.0	-49.53	338.53	-0.75	-50.28
NS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020230790	0	37	-1.0	-59.20	322.91	-1.68	-60.88
NS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020230790	1	37	-1.0	-59.18	322.97	-1.66	-60.84
CSCC[C@H](NC(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020230791	0	40	-1.0	-52.76	366.26	-1.68	-54.44
CSCC[C@H](NC(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020230791	1	40	-1.0	-52.74	366.31	-1.67	-54.41
NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020230792	0	37	-1.0	-50.28	324.02	-1.59	-51.87
NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020230792	1	37	-1.0	-50.33	324.10	-1.59	-51.92
NS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020230793	0	43	-1.0	-51.49	346.26	0.15	-51.34
NS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020230793	1	43	-1.0	-51.48	346.31	0.16	-51.32
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230794	0	49	-1.0	-57.26	406.28	1.87	-55.39
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230794	1	49	-1.0	-57.21	406.34	1.88	-55.33
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230795	0	49	-1.0	-47.74	407.30	1.94	-45.80
CCC(C)NS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230795	1	49	-1.0	-47.78	407.38	1.95	-45.83
O=C(NC1=CC=CN(CC2=CC=CC=C2)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230796	0	48	-1.0	-49.77	386.59	6.99	-42.78
O=C(NC1=CC=CN(CC2=CC=CC=C2)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230796	1	48	-1.0	-49.74	386.65	7.01	-42.73
O=C(NC1=CC=CN(CC2=CC=CC=C2)C1=O)N1CCCC1C1=N[N-]N=N1	REAL300020230797	0	45	-1.0	-80.15	375.25	7.16	-72.99
O=C(NC1=CC=CN(CC2=CC=CC=C2)C1=O)N1CCCC1C1=NN=N[N-]1	REAL300020230797	1	45	-1.0	-80.22	375.31	7.18	-73.04
CSCC[C@H](NC(=O)NC1=CC=CN(CC2=CC=CC=C2)C1=O)C1=N[N-]N=N1	REAL300020230798	0	48	-1.0	-62.93	418.78	7.13	-55.80
CSCC[C@H](NC(=O)NC1=CC=CN(CC2=CC=CC=C2)C1=O)C1=NN=N[N-]1	REAL300020230798	1	48	-1.0	-62.94	418.83	7.14	-55.80
O=C(NC1=CC=CN(CC2=CC=CC=C2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230799	0	45	-1.0	-60.57	376.62	7.22	-53.35
O=C(NC1=CC=CN(CC2=CC=CC=C2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230799	1	45	-1.0	-60.55	376.69	7.23	-53.32
O=C(NC1=CC=CN(CC2=CC=CC=C2)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230800	0	51	-1.0	-63.57	398.76	8.76	-54.81
O=C(NC1=CC=CN(CC2=CC=CC=C2)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230800	1	51	-1.0	-63.60	398.82	8.78	-54.82
CC(C)CCN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020230801	0	47	-1.0	-43.73	387.23	6.45	-37.28
CC(C)CCN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020230801	1	47	-1.0	-43.71	387.17	6.42	-37.29
CC(C)CCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020230802	0	47	-1.0	-45.62	368.06	5.97	-39.65
CC(C)CCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020230802	1	47	-1.0	-45.61	368.01	5.96	-39.65
CC(C)CCN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020230803	0	44	-1.0	-54.26	352.59	5.05	-49.21
CC(C)CCN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020230803	1	44	-1.0	-54.22	352.53	5.04	-49.18
CSCC[C@H](NC(=O)NC1=NN(CCC(C)C)C=C1)C1=NN=N[N-]1	REAL300020230804	0	47	-1.0	-48.13	396.20	5.03	-43.10
CSCC[C@H](NC(=O)NC1=NN(CCC(C)C)C=C1)C1=N[N-]N=N1	REAL300020230804	1	47	-1.0	-48.14	396.15	5.01	-43.13
CC(C)CCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020230805	0	44	-1.0	-44.58	354.08	5.10	-39.48
CC(C)CCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020230805	1	44	-1.0	-44.58	354.01	5.09	-39.49
CC(C)CCN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020230806	0	50	-1.0	-49.75	376.02	6.85	-42.90
CC(C)CCN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020230806	1	50	-1.0	-49.74	375.98	6.85	-42.89
O=C(NC1=CC=C(F)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230807	0	34	-1.0	-41.62	304.50	2.98	-38.64
O=C(NC1=CC=C(F)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230807	1	34	-1.0	-41.63	304.45	2.95	-38.68
CSCC[C@H](NC(=O)NC1=CC=C(F)N=C1)C1=NN=N[N-]1	REAL300020230808	0	34	-1.0	-44.40	313.43	1.55	-42.85
CSCC[C@H](NC(=O)NC1=CC=C(F)N=C1)C1=N[N-]N=N1	REAL300020230808	1	34	-1.0	-44.39	313.37	1.53	-42.86
O=C(NC1=CC=C(F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230809	0	37	-1.0	-38.51	299.89	2.61	-35.90
O=C(NC1=CC=C(F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230809	1	37	-1.0	-38.51	299.84	2.60	-35.91
CCOC(=O)C(C)(C)N1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020230810	0	50	-1.0	-45.35	419.83	5.44	-39.91
CCOC(=O)C(C)(C)N1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020230810	1	50	-1.0	-45.33	419.77	5.41	-39.92
CCOC(=O)C(C)(C)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020230811	0	50	-1.0	-46.26	400.64	4.98	-41.28
CCOC(=O)C(C)(C)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020230811	1	50	-1.0	-46.20	400.58	4.96	-41.24
CCOC(=O)C(C)(C)N1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020230812	0	47	-1.0	-58.21	385.21	4.07	-54.14
CCOC(=O)C(C)(C)N1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020230812	1	47	-1.0	-58.15	385.16	4.05	-54.10
CCOC(=O)C(C)(C)N1C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020230813	0	50	-1.0	-49.79	428.79	4.02	-45.77
CCOC(=O)C(C)(C)N1C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020230813	1	50	-1.0	-49.74	428.74	4.00	-45.74
CCOC(=O)C(C)(C)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020230814	0	47	-1.0	-46.97	386.64	4.10	-42.87
CCOC(=O)C(C)(C)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020230814	1	47	-1.0	-46.97	386.57	4.08	-42.89
CCOC(=O)C(C)(C)N1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020230815	0	53	-1.0	-54.97	408.63	5.85	-49.12
CCOC(=O)C(C)(C)N1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020230815	1	53	-1.0	-54.99	408.59	5.85	-49.14
CN(C)C1=NC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2O1	REAL300020230816	0	45	-1.0	-53.79	382.09	3.48	-50.31
CN(C)C1=NC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2O1	REAL300020230816	1	45	-1.0	-53.80	382.03	3.46	-50.34
CN(C)C1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020230817	0	45	-1.0	-52.55	363.79	2.88	-49.67
CN(C)C1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020230817	1	45	-1.0	-52.51	363.74	2.87	-49.64
CN(C)C1=NC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020230818	0	42	-1.0	-62.53	348.53	1.95	-60.58
CN(C)C1=NC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020230818	1	42	-1.0	-62.59	348.47	1.93	-60.66
CSCC[C@H](NC(=O)NC1=CC=C2OC(N(C)C)=NC2=C1)C1=NN=N[N-]1	REAL300020230819	0	45	-1.0	-55.01	392.37	1.79	-53.22
CSCC[C@H](NC(=O)NC1=CC=C2OC(N(C)C)=NC2=C1)C1=N[N-]N=N1	REAL300020230819	1	45	-1.0	-55.02	392.31	1.78	-53.24
CN(C)C1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020230820	0	42	-1.0	-53.06	350.17	1.98	-51.08
CN(C)C1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020230820	1	42	-1.0	-53.05	350.10	1.96	-51.09
CN(C)C1=NC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020230821	0	48	-1.0	-47.97	376.23	3.03	-44.94
CN(C)C1=NC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020230821	1	48	-1.0	-47.96	376.19	3.01	-44.95
COC1=CC(OC)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020230822	0	43	-1.0	-59.02	366.41	3.58	-55.44
COC1=CC(OC)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020230822	1	43	-1.0	-59.02	366.36	3.55	-55.47
COC1=CC(OC)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020230823	0	43	-1.0	-46.70	347.46	3.10	-43.60
COC1=CC(OC)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020230823	1	43	-1.0	-46.72	347.52	3.11	-43.61
COC1=CC(OC)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020230824	0	40	-1.0	-57.26	332.21	2.17	-55.09
COC1=CC(OC)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020230824	1	40	-1.0	-57.31	332.27	2.18	-55.13
COC1=CC(OC)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020230825	0	43	-1.0	-52.05	376.54	2.14	-49.91
COC1=CC(OC)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020230825	1	43	-1.0	-52.03	376.60	2.16	-49.87
COC1=CC(OC)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020230826	0	40	-1.0	-47.35	334.38	2.21	-45.14
COC1=CC(OC)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020230826	1	40	-1.0	-47.36	334.45	2.23	-45.13
COC1=CC(OC)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020230827	0	46	-1.0	-53.71	356.18	3.94	-49.77
COC1=CC(OC)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020230827	1	46	-1.0	-53.73	356.24	3.95	-49.78
COC1=CC(OC)=C(OC)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230828	0	47	-1.0	-55.39	389.41	3.42	-51.97
COC1=CC(OC)=C(OC)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230828	1	47	-1.0	-55.37	389.35	3.39	-51.98
COC1=CC(OC)=C(OC)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230829	0	47	-1.0	-46.41	371.76	2.90	-43.51
COC1=CC(OC)=C(OC)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230829	1	47	-1.0	-46.38	371.81	2.91	-43.47
COC1=CC(OC)=C(OC)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230830	0	44	-1.0	-56.11	355.21	2.02	-54.09
COC1=CC(OC)=C(OC)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230830	1	44	-1.0	-56.14	355.27	2.03	-54.11
COC1=CC(OC)=C(OC)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020230831	0	47	-1.0	-49.89	399.54	1.98	-47.91
COC1=CC(OC)=C(OC)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020230831	1	47	-1.0	-49.86	399.60	1.99	-47.87
COC1=CC(OC)=C(OC)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230832	0	44	-1.0	-46.47	357.38	2.06	-44.41
COC1=CC(OC)=C(OC)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230832	1	44	-1.0	-46.45	357.46	2.08	-44.37
COC1=CC(OC)=C(OC)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230833	0	50	-1.0	-53.10	379.20	3.79	-49.31
COC1=CC(OC)=C(OC)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230833	1	50	-1.0	-53.07	379.26	3.81	-49.26
O=C(NC1=CC=C(Cl)C=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230834	0	35	-1.0	-39.24	319.65	5.58	-33.66
O=C(NC1=CC=C(Cl)C=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230834	1	35	-1.0	-39.22	319.71	5.59	-33.63
O=C(NC1=CC=C(Cl)C=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020230835	0	32	-1.0	-48.03	304.34	4.67	-43.36
O=C(NC1=CC=C(Cl)C=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020230835	1	32	-1.0	-48.00	304.40	4.69	-43.31
O=C(NC1=CC=C(Cl)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020230836	0	32	-1.0	-39.32	305.69	4.71	-34.61
O=C(NC1=CC=C(Cl)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020230836	1	32	-1.0	-39.36	305.77	4.73	-34.63
O=C(NC1=CC=C(Cl)C=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020230837	0	38	-1.0	-44.62	327.24	6.55	-38.07
O=C(NC1=CC=C(Cl)C=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020230837	1	38	-1.0	-44.64	327.29	6.55	-38.09
COC1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230838	0	39	-1.0	-54.79	338.25	4.19	-50.60
COC1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020230838	1	39	-1.0	-54.78	338.19	4.16	-50.62
COC1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230839	0	39	-1.0	-45.23	319.61	3.68	-41.55
COC1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230839	1	39	-1.0	-45.28	319.66	3.70	-41.58
COC1=CC=C(F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020230840	0	36	-1.0	-56.78	303.90	2.79	-53.99
COC1=CC=C(F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020230840	1	36	-1.0	-56.79	303.96	2.81	-53.98
COC1=CC=C(F)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020230841	0	39	-1.0	-49.55	346.60	2.74	-46.81
COC1=CC=C(F)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020230841	1	39	-1.0	-49.52	346.65	2.75	-46.77
COC1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020230842	0	36	-1.0	-45.16	305.25	2.83	-42.33
COC1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020230842	1	36	-1.0	-45.15	305.32	2.85	-42.30
COC1=CC=C(F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230843	0	42	-1.0	-50.90	327.11	4.56	-46.34
COC1=CC=C(F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230843	1	42	-1.0	-50.89	327.16	4.58	-46.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1OC1CCOC1	REAL300020230844	0	47	-1.0	-48.95	386.74	4.56	-44.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1OC1CCOC1	REAL300020230844	1	47	-1.0	-48.98	386.68	4.53	-44.45
O=C(NC1=CC=CC=C1OC1CCOC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230845	0	47	-1.0	-44.91	368.94	4.06	-40.85
O=C(NC1=CC=CC=C1OC1CCOC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230845	1	47	-1.0	-44.97	369.00	4.08	-40.89
O=C(NC1=CC=CC=C1OC1CCOC1)N1CCCC1C1=N[N-]N=N1	REAL300020230846	0	44	-1.0	-54.71	353.78	3.10	-51.61
O=C(NC1=CC=CC=C1OC1CCOC1)N1CCCC1C1=NN=N[N-]1	REAL300020230846	1	44	-1.0	-54.72	353.84	3.12	-51.60
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1CCOC1)C1=N[N-]N=N1	REAL300020230847	0	47	-1.0	-49.56	396.55	3.12	-46.44
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1CCOC1)C1=NN=N[N-]1	REAL300020230847	1	47	-1.0	-49.52	396.61	3.14	-46.38
O=C(NC1=CC=CC=C1OC1CCOC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230848	0	44	-1.0	-44.58	353.61	3.22	-41.36
O=C(NC1=CC=CC=C1OC1CCOC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230848	1	44	-1.0	-44.61	353.68	3.23	-41.38
O=C(NC1=CC=CC=C1OC1CCOC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230849	0	50	-1.0	-52.99	376.69	5.06	-47.93
O=C(NC1=CC=CC=C1OC1CCOC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230849	1	50	-1.0	-52.94	376.74	5.07	-47.87
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230850	0	44	-1.0	-49.84	369.15	2.92	-46.92
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230850	1	44	-1.0	-49.87	369.20	2.94	-46.93
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230851	0	41	-1.0	-58.76	354.21	1.99	-56.77
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230851	1	41	-1.0	-58.71	354.26	2.02	-56.69
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230852	0	41	-1.0	-52.38	355.54	2.06	-50.32
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230852	1	41	-1.0	-52.33	355.61	2.07	-50.26
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230853	0	47	-1.0	-56.56	378.02	3.91	-52.65
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230853	1	47	-1.0	-56.56	378.08	3.90	-52.66
CC(C1=CC=CC=C1)N1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020230854	0	48	-1.0	-44.07	400.67	7.68	-36.39
CC(C1=CC=CC=C1)N1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020230854	1	48	-1.0	-44.10	400.61	7.65	-36.45
CC(C1=CC=CC=C1)N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020230855	0	48	-1.0	-46.11	381.52	7.20	-38.91
CC(C1=CC=CC=C1)N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020230855	1	48	-1.0	-46.12	381.46	7.19	-38.93
CC(C1=CC=CC=C1)N1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020230856	0	45	-1.0	-54.60	365.99	6.27	-48.33
CC(C1=CC=CC=C1)N1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020230856	1	45	-1.0	-54.63	365.94	6.27	-48.36
CSCC[C@H](NC(=O)NC1=NN(C(C)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020230857	0	48	-1.0	-48.53	409.62	6.25	-42.28
CSCC[C@H](NC(=O)NC1=NN(C(C)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020230857	1	48	-1.0	-48.55	409.56	6.24	-42.31
CC(C1=CC=CC=C1)N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020230858	0	45	-1.0	-44.92	367.53	6.33	-38.59
CC(C1=CC=CC=C1)N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020230858	1	45	-1.0	-44.96	367.45	6.32	-38.64
CC(C1=CC=CC=C1)N1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020230859	0	51	-1.0	-50.35	389.43	8.08	-42.27
CC(C1=CC=CC=C1)N1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020230859	1	51	-1.0	-50.35	389.39	8.08	-42.27
O=C(NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230860	0	47	-1.0	-55.84	393.48	4.81	-51.03
O=C(NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230860	1	47	-1.0	-55.85	393.54	4.83	-51.02
O=C(NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230861	0	47	-1.0	-46.12	394.89	4.86	-41.26
O=C(NC1=CC=C2N=C(CC3=CC=CC=C3)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230861	1	47	-1.0	-46.11	394.96	4.88	-41.23
CC1=NN(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=N1	REAL300020230862	0	47	-1.0	-47.63	396.21	7.55	-40.08
CC1=NN(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=N1	REAL300020230862	1	47	-1.0	-47.60	396.15	7.53	-40.07
CC1=NN(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020230863	0	47	-1.0	-46.83	378.65	7.00	-39.83
CC1=NN(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020230863	1	47	-1.0	-46.86	378.71	7.01	-39.85
CC1=NN(C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020230864	0	44	-1.0	-56.74	361.21	6.13	-50.61
CC1=NN(C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020230864	1	44	-1.0	-56.69	361.27	6.15	-50.54
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1N=C(C)N=C1C)C1=N[N-]N=N1	REAL300020230865	0	47	-1.0	-51.85	405.95	6.10	-45.75
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1N=C(C)N=C1C)C1=NN=N[N-]1	REAL300020230865	1	47	-1.0	-51.78	406.00	6.11	-45.67
CC1=NN(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020230866	0	44	-1.0	-46.55	362.70	6.18	-40.37
CC1=NN(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020230866	1	44	-1.0	-46.58	362.77	6.20	-40.38
CC1=NN(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020230867	0	50	-1.0	-54.91	383.83	8.01	-46.90
CC1=NN(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020230867	1	50	-1.0	-54.94	383.88	8.02	-46.92
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020230868	0	44	-1.0	-58.40	374.38	2.52	-55.88
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020230868	1	44	-1.0	-58.45	374.43	2.53	-55.92
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020230869	0	41	-1.0	-65.62	359.09	1.61	-64.01
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020230869	1	41	-1.0	-65.65	359.15	1.63	-64.02
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020230870	0	41	-1.0	-57.65	360.21	1.69	-55.96
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020230870	1	41	-1.0	-57.67	360.28	1.69	-55.98
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020230871	0	47	-1.0	-55.16	388.87	2.71	-52.45
CS(=O)(=O)CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020230871	1	47	-1.0	-55.14	388.91	2.74	-52.40
COCC1=C(Cl)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230872	0	42	-1.0	-50.22	369.33	5.17	-45.05
COCC1=C(Cl)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230872	1	42	-1.0	-50.24	369.27	5.15	-45.09
COCC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230873	0	42	-1.0	-42.24	349.03	4.67	-37.57
COCC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230873	1	42	-1.0	-42.25	349.09	4.68	-37.57
COCC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230874	0	39	-1.0	-49.91	334.00	3.73	-46.18
COCC1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230874	1	39	-1.0	-49.95	334.06	3.75	-46.20
COCC1=C(Cl)C=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020230875	0	42	-1.0	-43.74	377.51	3.68	-40.06
COCC1=C(Cl)C=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020230875	1	42	-1.0	-43.70	377.57	3.70	-40.00
COCC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230876	0	39	-1.0	-41.60	335.39	3.79	-37.81
COCC1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230876	1	39	-1.0	-41.61	335.46	3.80	-37.81
COCC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230877	0	45	-1.0	-49.68	357.63	5.49	-44.19
COCC1=C(Cl)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230877	1	45	-1.0	-49.68	357.69	5.50	-44.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(OCCF)=C1	REAL300020230878	0	42	-1.0	-61.65	361.24	5.13	-56.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(OCCF)=C1	REAL300020230878	1	42	-1.0	-61.59	361.18	5.10	-56.49
O=C(NC1=CC=CC(OCCF)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230879	0	42	-1.0	-45.87	340.84	4.71	-41.16
O=C(NC1=CC=CC(OCCF)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230879	1	42	-1.0	-45.90	340.90	4.72	-41.18
O=C(NC1=CC=CC(OCCF)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230880	0	39	-1.0	-64.52	326.43	3.76	-60.76
O=C(NC1=CC=CC(OCCF)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230880	1	39	-1.0	-64.57	326.49	3.78	-60.79
CSCC[C@H](NC(=O)NC1=CC=CC(OCCF)=C1)C1=N[N-]N=N1	REAL300020230881	0	42	-1.0	-57.19	370.22	3.69	-53.50
CSCC[C@H](NC(=O)NC1=CC=CC(OCCF)=C1)C1=NN=N[N-]1	REAL300020230881	1	42	-1.0	-57.22	370.28	3.71	-53.51
O=C(NC1=CC=CC(OCCF)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230882	0	39	-1.0	-51.71	328.08	3.79	-47.92
O=C(NC1=CC=CC(OCCF)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230882	1	39	-1.0	-51.73	328.15	3.80	-47.93
O=C(NC1=CC=CC(OCCF)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230883	0	45	-1.0	-47.17	356.47	4.84	-42.33
O=C(NC1=CC=CC(OCCF)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230883	1	45	-1.0	-47.19	356.52	4.87	-42.32
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020230884	0	37	-1.0	-41.94	319.78	3.61	-38.33
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020230884	1	37	-1.0	-41.93	319.72	3.59	-38.34
CSCC[C@H](NC(=O)NC1=CC=C(C)N=C1)C1=N[N-]N=N1	REAL300020230885	0	37	-1.0	-46.55	328.76	2.18	-44.37
CSCC[C@H](NC(=O)NC1=CC=C(C)N=C1)C1=NN=N[N-]1	REAL300020230885	1	37	-1.0	-46.58	328.82	2.20	-44.38
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020230886	0	40	-1.0	-41.71	315.44	3.28	-38.43
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020230886	1	40	-1.0	-41.75	315.49	3.30	-38.45
CC1=NC(N2CCOCC2)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230887	0	50	-1.0	-50.02	403.65	3.88	-46.14
CC1=NC(N2CCOCC2)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230887	1	50	-1.0	-50.06	403.71	3.91	-46.15
CC1=NC(N2CCOCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230888	0	50	-1.0	-43.70	382.13	3.28	-40.42
CC1=NC(N2CCOCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230888	1	50	-1.0	-43.71	382.19	3.29	-40.42
CC1=NC(N2CCOCC2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020230889	0	47	-1.0	-53.25	368.38	2.42	-50.83
CC1=NC(N2CCOCC2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020230889	1	47	-1.0	-53.24	368.44	2.44	-50.80
CSCC[C@H](NC(=O)NC1=CC=C(N2CCOCC2)N=C1C)C1=N[N-]N=N1	REAL300020230890	0	50	-1.0	-46.77	411.90	2.38	-44.39
CSCC[C@H](NC(=O)NC1=CC=C(N2CCOCC2)N=C1C)C1=NN=N[N-]1	REAL300020230890	1	50	-1.0	-46.80	411.95	2.39	-44.41
CC1=NC(N2CCOCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020230891	0	47	-1.0	-44.36	369.75	2.48	-41.88
CC1=NC(N2CCOCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020230891	1	47	-1.0	-44.39	369.82	2.50	-41.89
CC1=NC(N2CCOCC2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230892	0	53	-1.0	-49.69	390.06	4.16	-45.53
CC1=NC(N2CCOCC2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230892	1	53	-1.0	-49.65	390.10	4.17	-45.48
CC1=CC(F)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020230893	0	38	-1.0	-43.47	331.13	5.50	-37.97
CC1=CC(F)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020230893	1	38	-1.0	-43.50	331.07	5.47	-38.03
CC1=CC(F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020230894	0	38	-1.0	-45.86	312.00	5.00	-40.86
CC1=CC(F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020230894	1	38	-1.0	-45.86	312.05	5.02	-40.84
CSCC[C@H](NC(=O)NC1=CC(C)=CC(F)=C1)C1=N[N-]N=N1	REAL300020230895	0	38	-1.0	-50.67	339.83	4.11	-46.56
CSCC[C@H](NC(=O)NC1=CC(C)=CC(F)=C1)C1=NN=N[N-]1	REAL300020230895	1	38	-1.0	-50.67	339.89	4.12	-46.55
CC1=CC(F)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020230896	0	41	-1.0	-41.30	324.31	5.17	-36.13
CC1=CC(F)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020230896	1	41	-1.0	-41.25	324.35	5.18	-36.07
CC1=C(C#N)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230897	0	39	-1.0	-43.48	340.19	5.97	-37.51
CC1=C(C#N)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230897	1	39	-1.0	-43.47	340.13	5.95	-37.52
CC1=C(C#N)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230898	0	39	-1.0	-42.90	319.92	5.40	-37.50
CC1=C(C#N)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230898	1	39	-1.0	-42.87	319.98	5.41	-37.46
CSCC[C@H](NC(=O)NC1=CC=CC(C#N)=C1C)C1=N[N-]N=N1	REAL300020230899	0	39	-1.0	-44.69	348.39	4.42	-40.27
CSCC[C@H](NC(=O)NC1=CC=CC(C#N)=C1C)C1=NN=N[N-]1	REAL300020230899	1	39	-1.0	-44.68	348.45	4.44	-40.24
CC1=C(C#N)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020230900	0	42	-1.0	-46.41	328.56	6.25	-40.16
CC1=C(C#N)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020230900	1	42	-1.0	-46.40	328.62	6.26	-40.14
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1N1N=NN=C1C1CC1	REAL300020230901	0	48	-1.0	-52.45	399.23	4.38	-48.07
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1N1N=NN=C1C1CC1	REAL300020230901	1	48	-1.0	-52.43	399.29	4.40	-48.03
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1N=NN=C1C1CC1	REAL300020230902	0	48	-1.0	-47.38	400.58	4.44	-42.94
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1N=NN=C1C1CC1	REAL300020230902	1	48	-1.0	-47.38	400.65	4.45	-42.93
CC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=C1	REAL300020230903	0	41	-1.0	-43.49	345.79	6.44	-37.05
CC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Br)=C1	REAL300020230903	1	41	-1.0	-43.49	345.85	6.46	-37.03
CC1=CC(C)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=C1	REAL300020230904	0	38	-1.0	-51.39	326.67	5.20	-46.19
CC1=CC(C)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=C1	REAL300020230904	1	38	-1.0	-51.38	326.72	5.23	-46.15
CSCC[C@H](NC(=O)NC1=C(C)C=C(C)C=C1Br)C1=N[N-]N=N1	REAL300020230905	0	41	-1.0	-46.15	377.51	5.65	-40.50
CSCC[C@H](NC(=O)NC1=C(C)C=C(C)C=C1Br)C1=NN=N[N-]1	REAL300020230905	1	41	-1.0	-46.16	377.56	5.66	-40.50
CC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020230906	0	38	-1.0	-43.44	335.35	5.75	-37.69
CC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020230906	1	38	-1.0	-43.48	335.42	5.76	-37.72
CC1=CC(C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=C1	REAL300020230907	0	44	-1.0	-48.49	350.63	7.05	-41.44
CC1=CC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=C1	REAL300020230907	1	44	-1.0	-48.47	350.62	7.06	-41.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN=C1Br	REAL300020230908	0	34	-1.0	-45.49	316.16	3.71	-41.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN=C1Br	REAL300020230908	1	34	-1.0	-45.51	316.10	3.68	-41.83
O=C(NC1=CC=CN=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230909	0	34	-1.0	-41.60	298.03	3.20	-38.40
O=C(NC1=CC=CN=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230909	1	34	-1.0	-41.59	297.97	3.19	-38.40
O=C(NC1=CC=CN=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020230910	0	31	-1.0	-50.27	282.58	2.31	-47.96
O=C(NC1=CC=CN=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020230910	1	31	-1.0	-50.23	282.52	2.30	-47.93
CSCC[C@H](NC(=O)NC1=CC=CN=C1Br)C1=NN=N[N-]1	REAL300020230911	0	34	-1.0	-43.46	326.24	2.27	-41.19
CSCC[C@H](NC(=O)NC1=CC=CN=C1Br)C1=N[N-]N=N1	REAL300020230911	1	34	-1.0	-43.50	326.19	2.26	-41.24
O=C(NC1=CC=CN=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020230912	0	31	-1.0	-41.21	283.25	2.34	-38.87
O=C(NC1=CC=CN=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020230912	1	31	-1.0	-41.24	283.18	2.32	-38.92
O=C(NC1=CC=CN=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020230913	0	37	-1.0	-44.39	303.88	4.05	-40.34
O=C(NC1=CC=CN=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020230913	1	37	-1.0	-44.35	303.83	4.04	-40.31
CC1=COC(C2=CC=C(C)C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=N1	REAL300020230914	0	47	-1.0	-47.67	399.17	4.79	-42.88
CC1=COC(C2=CC=C(C)C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=N1	REAL300020230914	1	47	-1.0	-47.66	399.11	4.76	-42.90
CC1=COC(C2=CC=C(C)C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300020230915	0	47	-1.0	-49.55	380.65	4.31	-45.24
CC1=COC(C2=CC=C(C)C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300020230915	1	47	-1.0	-49.55	380.59	4.30	-45.25
CC1=COC(C2=CC=C(C)C(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020230916	0	44	-1.0	-60.18	364.35	3.35	-56.83
CC1=COC(C2=CC=C(C)C(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020230916	1	44	-1.0	-60.19	364.30	3.33	-56.86
CSCC[C@H](NC(=O)NC1=CC(C2=NC(C)=CO2)=CC=C1C)C1=NN=N[N-]1	REAL300020230917	0	47	-1.0	-55.36	407.91	3.30	-52.06
CSCC[C@H](NC(=O)NC1=CC(C2=NC(C)=CO2)=CC=C1C)C1=N[N-]N=N1	REAL300020230917	1	47	-1.0	-55.34	407.85	3.28	-52.06
CC1=COC(C2=CC=C(C)C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020230918	0	44	-1.0	-50.50	365.74	3.39	-47.11
CC1=COC(C2=CC=C(C)C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020230918	1	44	-1.0	-50.49	365.67	3.38	-47.11
CC1=COC(C2=CC=C(C)C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020230919	0	50	-1.0	-45.18	389.46	4.45	-40.73
CC1=COC(C2=CC=C(C)C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020230919	1	50	-1.0	-45.18	389.41	4.43	-40.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC=C1OC(F)F	REAL300020230920	0	39	-1.0	-43.42	347.37	4.53	-38.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC=C1OC(F)F	REAL300020230920	1	39	-1.0	-43.42	347.32	4.51	-38.91
O=C(NC1=CC(F)=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230921	0	39	-1.0	-45.27	329.19	4.02	-41.25
O=C(NC1=CC(F)=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230921	1	39	-1.0	-45.27	329.25	4.03	-41.24
O=C(NC1=CC(F)=CC=C1OC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020230922	0	36	-1.0	-54.53	312.68	3.13	-51.40
O=C(NC1=CC(F)=CC=C1OC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020230922	1	36	-1.0	-54.47	312.74	3.16	-51.31
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020230923	0	39	-1.0	-49.32	356.19	3.09	-46.23
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020230923	1	39	-1.0	-49.30	356.24	3.11	-46.19
O=C(NC1=CC(F)=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020230924	0	36	-1.0	-45.16	314.84	3.18	-41.98
O=C(NC1=CC(F)=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020230924	1	36	-1.0	-45.18	314.91	3.19	-41.99
O=C(NC1=CC(F)=CC=C1OC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020230925	0	42	-1.0	-51.03	336.66	4.92	-46.11
O=C(NC1=CC(F)=CC=C1OC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020230925	1	42	-1.0	-51.04	336.72	4.92	-46.12
O=C(NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230926	0	39	-1.0	-50.10	348.89	4.23	-45.87
O=C(NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230926	1	39	-1.0	-50.10	348.95	4.24	-45.86
O=C(NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230927	0	39	-1.0	-41.98	350.26	4.28	-37.70
O=C(NC1=CC=C(OC(F)(F)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230927	1	39	-1.0	-41.98	350.33	4.29	-37.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C=C1OC1CCCC1	REAL300020230928	0	49	-1.0	-42.06	402.72	7.19	-34.87
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C=C1OC1CCCC1	REAL300020230928	1	49	-1.0	-42.08	402.77	7.22	-34.86
O=C(NC1=CC=C(F)C=C1OC1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230929	0	49	-1.0	-41.11	383.97	6.73	-34.38
O=C(NC1=CC=C(F)C=C1OC1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230929	1	49	-1.0	-41.11	384.03	6.74	-34.37
O=C(NC1=CC=C(F)C=C1OC1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020230930	0	46	-1.0	-50.81	368.34	5.79	-45.02
O=C(NC1=CC=C(F)C=C1OC1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020230930	1	46	-1.0	-50.86	368.40	5.81	-45.05
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OC1CCCC1)C1=N[N-]N=N1	REAL300020230931	0	49	-1.0	-44.09	412.26	5.78	-38.31
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OC1CCCC1)C1=NN=N[N-]1	REAL300020230931	1	49	-1.0	-44.09	412.32	5.80	-38.29
O=C(NC1=CC=C(F)C=C1OC1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230932	0	46	-1.0	-40.96	370.05	5.89	-35.07
O=C(NC1=CC=C(F)C=C1OC1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230932	1	46	-1.0	-40.97	370.12	5.91	-35.06
O=C(NC1=CC=C(F)C=C1OC1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230933	0	52	-1.0	-41.56	394.94	6.78	-34.78
O=C(NC1=CC=C(F)C=C1OC1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230933	1	52	-1.0	-41.57	394.93	6.79	-34.78
CC1=CC=NC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300020230934	0	47	-1.0	-49.96	386.77	3.26	-46.70
CC1=CC=NC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300020230934	1	47	-1.0	-49.98	386.82	3.28	-46.70
CC1=CC=NC(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020230935	0	44	-1.0	-60.01	371.25	2.37	-57.64
CC1=CC=NC(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020230935	1	44	-1.0	-59.98	371.31	2.38	-57.60
CC1=CC=NC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020230936	0	44	-1.0	-50.38	372.76	2.41	-47.97
CC1=CC=NC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020230936	1	44	-1.0	-50.38	372.84	2.43	-47.95
CC1=CC=NC(OC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=N1	REAL300020230937	0	50	-1.0	-54.64	395.41	4.10	-50.54
CC1=CC=NC(OC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=N1	REAL300020230937	1	50	-1.0	-54.63	395.46	4.10	-50.53
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020230938	0	53	-1.0	-56.73	414.93	6.24	-50.49
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020230938	1	53	-1.0	-56.77	414.99	6.27	-50.50
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020230939	0	53	-1.0	-47.69	415.56	6.29	-41.40
CC(C)(C)OC(=O)N1CCC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020230939	1	53	-1.0	-47.72	415.64	6.30	-41.42
O=C(NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230940	0	43	-1.0	-53.73	370.38	6.46	-47.27
O=C(NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230940	1	43	-1.0	-53.73	370.43	6.48	-47.25
O=C(NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230941	0	43	-1.0	-41.81	370.71	6.53	-35.28
O=C(NC1=CC=CC=C1OC1=CC(F)=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230941	1	43	-1.0	-41.80	370.78	6.55	-35.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC=C1Br	REAL300020230942	0	35	-1.0	-52.42	327.24	5.58	-46.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC=C1Br	REAL300020230942	1	35	-1.0	-52.42	327.29	5.61	-46.81
O=C(NC1=CC(F)=CC=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230943	0	35	-1.0	-42.38	309.73	5.12	-37.26
O=C(NC1=CC(F)=CC=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230943	1	35	-1.0	-42.38	309.78	5.14	-37.24
O=C(NC1=CC(F)=CC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020230944	0	32	-1.0	-53.33	294.03	4.23	-49.10
O=C(NC1=CC(F)=CC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020230944	1	32	-1.0	-53.32	294.09	4.25	-49.07
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1Br)C1=N[N-]N=N1	REAL300020230945	0	35	-1.0	-46.28	336.62	4.16	-42.12
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1Br)C1=NN=N[N-]1	REAL300020230945	1	35	-1.0	-46.30	336.67	4.18	-42.12
O=C(NC1=CC(F)=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020230946	0	32	-1.0	-42.31	295.37	4.27	-38.04
O=C(NC1=CC(F)=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020230946	1	32	-1.0	-42.26	295.44	4.28	-37.98
O=C(NC1=CC(F)=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020230947	0	38	-1.0	-47.34	317.30	6.01	-41.33
O=C(NC1=CC(F)=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020230947	1	38	-1.0	-47.32	317.36	6.01	-41.31
O=C(NC1CCOCC1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020230948	0	53	-1.0	-46.68	413.78	3.74	-42.94
O=C(NC1CCOCC1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020230948	1	53	-1.0	-46.72	413.83	3.76	-42.96
O=C(NC1CCOCC1)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020230949	0	50	-1.0	-54.50	399.49	2.83	-51.67
O=C(NC1CCOCC1)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020230949	1	50	-1.0	-54.59	399.55	2.85	-51.74
O=C(NC1CCOCC1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020230950	0	50	-1.0	-46.13	401.17	2.86	-43.27
O=C(NC1CCOCC1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020230950	1	50	-1.0	-46.12	401.24	2.87	-43.25
CNS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020230951	0	46	-1.0	-47.94	372.24	1.49	-46.45
CNS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020230951	1	46	-1.0	-47.95	372.29	1.50	-46.45
CNS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020230952	0	43	-1.0	-58.15	357.56	0.59	-57.56
CNS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020230952	1	43	-1.0	-58.13	357.62	0.60	-57.53
CNS(=O)(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020230953	0	46	-1.0	-51.34	399.97	0.51	-50.83
CNS(=O)(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020230953	1	46	-1.0	-51.34	400.03	0.53	-50.81
CNS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020230954	0	43	-1.0	-48.18	357.81	0.61	-47.57
CNS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020230954	1	43	-1.0	-48.24	357.88	0.62	-47.62
CNS(=O)(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020230955	0	49	-1.0	-49.80	380.66	2.30	-47.50
CNS(=O)(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020230955	1	49	-1.0	-49.77	380.72	2.30	-47.47
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1OCC(F)F	REAL300020230956	0	42	-1.0	-46.94	365.59	5.45	-41.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1OCC(F)F	REAL300020230956	1	42	-1.0	-46.95	365.53	5.43	-41.52
O=C(NC1=CC=CC=C1OCC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230957	0	42	-1.0	-48.44	346.80	4.97	-43.47
O=C(NC1=CC=CC=C1OCC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230957	1	42	-1.0	-48.45	346.85	4.98	-43.47
O=C(NC1=CC=CC=C1OCC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020230958	0	39	-1.0	-58.79	331.37	4.05	-54.74
O=C(NC1=CC=CC=C1OCC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020230958	1	39	-1.0	-58.81	331.42	4.07	-54.74
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC(F)F)C1=N[N-]N=N1	REAL300020230959	0	42	-1.0	-52.44	374.89	4.01	-48.43
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC(F)F)C1=NN=N[N-]1	REAL300020230959	1	42	-1.0	-52.50	374.95	4.02	-48.48
O=C(NC1=CC=CC=C1OCC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020230960	0	39	-1.0	-48.10	332.73	4.11	-43.99
O=C(NC1=CC=CC=C1OCC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020230960	1	39	-1.0	-48.09	332.80	4.12	-43.97
O=C(NC1=CC=CC=C1OCC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020230961	0	45	-1.0	-48.27	359.27	5.19	-43.08
O=C(NC1=CC=CC=C1OCC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020230961	1	45	-1.0	-48.30	359.23	5.20	-43.10
NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020230962	0	38	-1.0	-45.11	335.03	-0.17	-45.28
NC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020230962	1	38	-1.0	-45.13	334.97	-0.19	-45.32
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020230963	0	38	-1.0	-45.80	315.92	-0.70	-46.50
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020230963	1	38	-1.0	-45.72	315.86	-0.72	-46.44
NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020230964	0	35	-1.0	-54.42	300.53	-1.53	-55.95
NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020230964	1	35	-1.0	-54.42	300.47	-1.55	-55.97
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)N=C1)C1=NN=N[N-]1	REAL300020230965	0	38	-1.0	-50.39	344.07	-1.58	-51.97
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)N=C1)C1=N[N-]N=N1	REAL300020230965	1	38	-1.0	-50.31	344.01	-1.60	-51.91
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020230966	0	35	-1.0	-46.75	301.69	-1.47	-48.22
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020230966	1	35	-1.0	-46.72	301.61	-1.47	-48.19
NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020230967	0	41	-1.0	-39.79	330.62	-0.49	-40.28
NC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020230967	1	41	-1.0	-39.75	330.57	-0.49	-40.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C2CC2)N=N1	REAL300020230968	0	40	-1.0	-51.18	344.21	5.24	-45.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C2CC2)N=N1	REAL300020230968	1	40	-1.0	-51.18	344.15	5.22	-45.96
O=C(NC1=CC=C(C2CC2)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230969	0	40	-1.0	-43.70	321.98	4.36	-39.34
O=C(NC1=CC=C(C2CC2)N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230969	1	40	-1.0	-43.73	322.04	4.37	-39.36
O=C(NC1=CC=C(C2CC2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020230970	0	37	-1.0	-67.01	309.45	3.86	-63.15
O=C(NC1=CC=C(C2CC2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020230970	1	37	-1.0	-67.03	309.51	3.87	-63.16
CSCC[C@H](NC(=O)NC1=CC=C(C2CC2)N=N1)C1=N[N-]N=N1	REAL300020230971	0	40	-1.0	-58.22	353.15	3.80	-54.42
CSCC[C@H](NC(=O)NC1=CC=C(C2CC2)N=N1)C1=NN=N[N-]1	REAL300020230971	1	40	-1.0	-58.22	353.21	3.82	-54.40
O=C(NC1=CC=C(C2CC2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230972	0	37	-1.0	-54.83	310.96	3.91	-50.92
O=C(NC1=CC=C(C2CC2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230972	1	37	-1.0	-54.81	311.04	3.92	-50.89
O=C(NC1=CC=C(C2CC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230973	0	43	-1.0	-50.32	337.79	4.77	-45.55
O=C(NC1=CC=C(C2CC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230973	1	43	-1.0	-50.27	337.83	4.77	-45.50
CC(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020230974	0	45	-1.0	-50.96	373.79	5.68	-45.28
CC(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020230974	1	45	-1.0	-50.95	373.73	5.66	-45.29
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020230975	0	45	-1.0	-43.59	351.62	4.80	-38.79
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=N1	REAL300020230975	1	45	-1.0	-43.57	351.57	4.79	-38.78
CC(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300020230976	0	42	-1.0	-66.94	339.09	4.31	-62.63
CC(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300020230976	1	42	-1.0	-66.97	339.03	4.30	-62.67
CSCC[C@H](NC(=O)NC1=CC=C(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300020230977	0	45	-1.0	-58.18	382.79	4.26	-53.92
CSCC[C@H](NC(=O)NC1=CC=C(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300020230977	1	45	-1.0	-58.17	382.73	4.24	-53.93
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020230978	0	42	-1.0	-54.62	340.62	4.36	-50.26
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020230978	1	42	-1.0	-54.59	340.55	4.35	-50.24
CC(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020230979	0	48	-1.0	-50.15	367.43	5.21	-44.94
CC(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020230979	1	48	-1.0	-50.13	367.38	5.21	-44.92
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Br)=N1	REAL300020230980	0	38	-1.0	-40.66	328.24	1.62	-39.04
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=N1	REAL300020230980	1	38	-1.0	-40.63	328.18	1.61	-39.02
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=N1	REAL300020230981	0	35	-1.0	-48.39	314.06	0.76	-47.63
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=N1	REAL300020230981	1	35	-1.0	-48.36	314.00	0.75	-47.61
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=N1	REAL300020230982	0	35	-1.0	-40.05	315.43	0.81	-39.24
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=N1	REAL300020230982	1	35	-1.0	-40.06	315.35	0.80	-39.26
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=N1	REAL300020230983	0	41	-1.0	-40.04	339.97	1.84	-38.20
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=N1	REAL300020230983	1	41	-1.0	-40.04	339.92	1.84	-38.20
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230984	0	58	0.0	-66.51	433.35	7.87	-58.64
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230984	1	58	0.0	-66.49	433.41	7.88	-58.61
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230985	0	55	0.0	-75.02	418.06	6.90	-68.12
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230985	1	55	0.0	-75.01	418.12	6.92	-68.09
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230986	0	55	0.0	-66.32	419.77	6.99	-59.33
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230986	1	55	0.0	-66.31	419.85	6.99	-59.32
COC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CN=C12	REAL300020230987	0	47	-1.0	-60.13	391.74	4.87	-55.26
COC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CN=C12	REAL300020230987	1	47	-1.0	-60.14	391.68	4.86	-55.28
COC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CN=C12	REAL300020230988	0	47	-1.0	-51.99	394.10	4.94	-47.05
COC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CN=C12	REAL300020230988	1	47	-1.0	-52.04	394.03	4.93	-47.11
O=C(NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230989	0	41	-1.0	-57.49	354.24	6.25	-51.24
O=C(NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230989	1	41	-1.0	-57.48	354.18	6.22	-51.26
O=C(NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230990	0	41	-1.0	-47.88	355.74	6.30	-41.58
O=C(NC1=NN(C2=NC=CC=C2C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230990	1	41	-1.0	-47.88	355.66	6.28	-41.60
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230991	0	42	-1.0	-45.94	373.28	7.66	-38.28
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230991	1	42	-1.0	-45.97	373.22	7.64	-38.33
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230992	0	42	-1.0	-47.81	354.12	7.19	-40.62
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230992	1	42	-1.0	-47.81	354.06	7.17	-40.64
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020230993	0	39	-1.0	-55.88	338.64	6.27	-49.61
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020230993	1	39	-1.0	-55.87	338.58	6.25	-49.62
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2Cl)C=C1)C1=NN=N[N-]1	REAL300020230994	0	42	-1.0	-49.89	382.26	6.24	-43.65
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2Cl)C=C1)C1=N[N-]N=N1	REAL300020230994	1	42	-1.0	-49.86	382.20	6.22	-43.64
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230995	0	39	-1.0	-46.49	340.12	6.32	-40.17
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230995	1	39	-1.0	-46.48	340.05	6.31	-40.17
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020230996	0	45	-1.0	-51.61	362.13	8.06	-43.55
O=C(NC1=NN(C2=CC=CC=C2Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020230996	1	45	-1.0	-51.60	362.09	8.04	-43.56
COC(=O)CCC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020230997	0	42	-2.0	-85.97	382.64	3.91	-82.06
COC(=O)CCC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020230997	1	42	-2.0	-85.99	382.70	3.94	-82.05
COC(=O)CCC1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020230997	1	43	-1.0	-42.15	385.91	5.11	-37.04
COC(=O)CCC1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020230997	1	43	-1.0	-42.15	385.96	5.14	-37.01
COC(=O)CCC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020230998	0	43	-1.0	-43.18	366.72	4.66	-38.52
COC(=O)CCC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020230998	1	43	-1.0	-43.16	366.77	4.68	-38.48
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020230998	1	42	-2.0	-88.24	365.70	3.82	-84.42
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020230998	1	42	-2.0	-88.23	365.75	3.83	-84.40
COC(=O)CCC1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020230999	0	40	-1.0	-49.91	351.27	3.73	-46.18
COC(=O)CCC1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020230999	1	40	-1.0	-49.93	351.33	3.76	-46.17
COC(=O)CCC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020230999	1	39	-2.0	-107.37	349.86	2.69	-104.68
COC(=O)CCC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020230999	1	39	-2.0	-107.37	349.92	2.71	-104.66
COC(=O)CCC1=CSC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020231000	0	43	-1.0	-44.40	394.89	3.71	-40.69
COC(=O)CCC1=CSC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020231000	1	43	-1.0	-44.43	394.94	3.72	-40.71
COC(=O)CCC1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020231000	1	42	-2.0	-98.44	391.63	2.51	-95.93
COC(=O)CCC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020231001	0	40	-1.0	-42.41	352.74	3.78	-38.63
COC(=O)CCC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020231001	1	40	-1.0	-42.45	352.81	3.80	-38.65
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020231001	1	39	-2.0	-88.31	350.65	2.75	-85.56
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020231001	1	39	-2.0	-88.31	350.72	2.76	-85.55
COC(=O)CCC1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020231002	0	46	-1.0	-45.96	374.97	5.51	-40.45
COC(=O)CCC1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020231002	1	46	-1.0	-45.98	375.02	5.53	-40.45
COC(=O)CCC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020231002	1	45	-2.0	-104.51	374.28	4.80	-99.71
COC(=O)CCC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020231002	1	45	-2.0	-104.52	374.32	4.81	-99.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C2=CC=CC=C2)N=N1	REAL300020231003	0	43	-1.0	-52.97	371.33	6.78	-46.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C2=CC=CC=C2)N=N1	REAL300020231003	1	43	-1.0	-53.03	371.27	6.75	-46.28
O=C(NC1=CC=C(C2=CC=CC=C2)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231004	0	43	-1.0	-44.91	349.12	5.89	-39.02
O=C(NC1=CC=C(C2=CC=CC=C2)N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231004	1	43	-1.0	-44.92	349.18	5.91	-39.01
O=C(NC1=CC=C(C2=CC=CC=C2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020231005	0	40	-1.0	-69.48	336.58	5.40	-64.08
O=C(NC1=CC=C(C2=CC=CC=C2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020231005	1	40	-1.0	-69.50	336.64	5.40	-64.10
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300020231006	0	43	-1.0	-60.48	380.28	5.34	-55.14
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300020231006	1	43	-1.0	-60.43	380.34	5.35	-55.08
O=C(NC1=CC=C(C2=CC=CC=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231007	0	40	-1.0	-56.78	338.09	5.44	-51.34
O=C(NC1=CC=C(C2=CC=CC=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231007	1	40	-1.0	-56.81	338.17	5.46	-51.35
O=C(NC1=CC=C(C2=CC=CC=C2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231008	0	46	-1.0	-52.18	364.91	6.30	-45.88
O=C(NC1=CC=C(C2=CC=CC=C2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231008	1	46	-1.0	-52.19	364.97	6.31	-45.88
CN(C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1)S(C)(=O)=O	REAL300020231009	0	46	-1.0	-51.55	380.29	2.82	-48.73
CN(C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1)S(C)(=O)=O	REAL300020231009	1	46	-1.0	-51.56	380.35	2.83	-48.73
CN(C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1)S(C)(=O)=O	REAL300020231010	0	43	-1.0	-64.98	366.43	1.84	-63.14
CN(C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1)S(C)(=O)=O	REAL300020231010	1	43	-1.0	-64.98	366.49	1.87	-63.11
CSCC[C@H](NC(=O)NC1=CC=CC=C1N(C)S(C)(=O)=O)C1=N[N-]N=N1	REAL300020231011	0	46	-1.0	-57.08	409.15	1.85	-55.23
CSCC[C@H](NC(=O)NC1=CC=CC=C1N(C)S(C)(=O)=O)C1=NN=N[N-]1	REAL300020231011	1	46	-1.0	-57.07	409.21	1.86	-55.21
CN(C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)S(C)(=O)=O	REAL300020231012	0	43	-1.0	-54.99	367.82	1.90	-53.09
CN(C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)S(C)(=O)=O	REAL300020231012	1	43	-1.0	-55.05	367.89	1.91	-53.14
CN(C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1)S(C)(=O)=O	REAL300020231013	0	49	-1.0	-60.44	393.80	2.88	-57.56
CN(C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1)S(C)(=O)=O	REAL300020231013	1	49	-1.0	-60.38	393.86	2.90	-57.48
CSC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N(C2=CC=CC=C2)N=C1	REAL300020231014	0	46	-1.0	-46.93	384.65	7.34	-39.59
CSC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N(C2=CC=CC=C2)N=C1	REAL300020231014	1	46	-1.0	-46.89	384.59	7.32	-39.57
CSC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N(C2=CC=CC=C2)N=C1	REAL300020231015	0	43	-1.0	-59.00	374.49	6.58	-52.42
CSC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N(C2=CC=CC=C2)N=C1	REAL300020231015	1	43	-1.0	-59.00	374.44	6.56	-52.44
CSC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N(C2=CC=CC=C2)N=C1	REAL300020231016	0	43	-1.0	-45.89	365.05	6.57	-39.32
CSC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N(C2=CC=CC=C2)N=C1	REAL300020231016	1	43	-1.0	-45.86	364.97	6.56	-39.30
CSC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N(C2=CC=CC=C2)N=C1	REAL300020231017	0	49	-1.0	-45.68	396.78	7.24	-38.44
CSC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N(C2=CC=CC=C2)N=C1	REAL300020231017	1	49	-1.0	-45.75	396.69	7.23	-38.52
COC1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(N)=O	REAL300020231018	0	42	-1.0	-55.52	362.77	-0.41	-55.93
COC1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(N)=O	REAL300020231018	1	42	-1.0	-55.52	362.71	-0.43	-55.95
COC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(N)=O	REAL300020231019	0	42	-1.0	-47.60	344.00	-0.89	-48.49
COC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(N)=O	REAL300020231019	1	42	-1.0	-47.53	343.95	-0.91	-48.44
COC1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(N)=O	REAL300020231020	0	39	-1.0	-54.17	328.46	-1.81	-55.98
COC1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020231020	1	39	-1.0	-54.13	328.40	-1.82	-55.95
COC1=NC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C(N)=O	REAL300020231021	0	42	-1.0	-49.09	371.78	-1.82	-50.91
COC1=NC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C(N)=O	REAL300020231021	1	42	-1.0	-49.05	371.72	-1.84	-50.89
COC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(N)=O	REAL300020231022	0	39	-1.0	-47.50	329.86	-1.75	-49.25
COC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(N)=O	REAL300020231022	1	39	-1.0	-47.50	329.79	-1.77	-49.27
COC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(N)=O	REAL300020231023	0	45	-1.0	-42.21	356.43	-0.74	-42.95
COC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(N)=O	REAL300020231023	1	45	-1.0	-42.23	356.39	-0.74	-42.97
O=C(NC1=CSC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231024	0	32	-1.0	-43.61	293.27	3.74	-39.87
O=C(NC1=CSC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231024	1	32	-1.0	-43.63	293.22	3.72	-39.91
CCOC1=CC(Cl)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231025	0	42	-1.0	-40.35	370.25	5.65	-34.70
CCOC1=CC(Cl)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231025	1	42	-1.0	-40.33	370.19	5.62	-34.71
CCOC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231026	0	42	-1.0	-41.87	350.51	5.17	-36.70
CCOC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231026	1	42	-1.0	-41.89	350.57	5.18	-36.71
CCOC1=CC(Cl)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231027	0	39	-1.0	-50.79	335.09	4.25	-46.54
CCOC1=CC(Cl)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231027	1	39	-1.0	-50.79	335.15	4.27	-46.52
CCOC1=CC(Cl)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231028	0	42	-1.0	-44.85	378.61	4.21	-40.64
CCOC1=CC(Cl)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231028	1	42	-1.0	-44.85	378.67	4.22	-40.63
CCOC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231029	0	39	-1.0	-41.43	336.47	4.30	-37.13
CCOC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231029	1	39	-1.0	-41.39	336.54	4.32	-37.07
CCOC1=CC(Cl)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231030	0	45	-1.0	-40.63	362.78	5.40	-35.23
CCOC1=CC(Cl)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231030	1	45	-1.0	-40.64	362.81	5.40	-35.24
CC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020231031	0	38	-1.0	-50.27	338.19	6.08	-44.19
CC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020231031	1	38	-1.0	-50.27	338.13	6.05	-44.22
CC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020231032	0	38	-1.0	-41.91	319.02	5.61	-36.30
CC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020231032	1	38	-1.0	-41.91	319.08	5.62	-36.29
CC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020231033	0	35	-1.0	-52.34	304.86	4.70	-47.64
CC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020231033	1	35	-1.0	-52.30	304.92	4.71	-47.59
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1Cl)C1=N[N-]N=N1	REAL300020231034	0	38	-1.0	-45.27	348.41	4.67	-40.60
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1Cl)C1=NN=N[N-]1	REAL300020231034	1	38	-1.0	-45.28	348.47	4.69	-40.59
CC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020231035	0	35	-1.0	-41.66	305.35	4.72	-36.94
CC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020231035	1	35	-1.0	-41.68	305.43	4.73	-36.95
CC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020231036	0	41	-1.0	-47.28	328.11	6.48	-40.80
CC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020231036	1	41	-1.0	-47.31	328.17	6.49	-40.82
CCCOC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231037	0	45	-1.0	-39.89	380.50	6.00	-33.89
CCCOC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231037	1	45	-1.0	-39.87	380.45	5.98	-33.89
CCCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231038	0	45	-1.0	-41.10	362.39	5.50	-35.60
CCCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231038	1	45	-1.0	-41.11	362.45	5.51	-35.60
CCCOC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231039	0	42	-1.0	-51.03	347.08	4.57	-46.46
CCCOC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231039	1	42	-1.0	-51.02	347.14	4.60	-46.42
CCCOC1=CC(F)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231040	0	45	-1.0	-44.47	390.62	4.56	-39.91
CCCOC1=CC(F)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231040	1	45	-1.0	-44.50	390.68	4.57	-39.93
CCCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231041	0	42	-1.0	-41.19	347.66	4.65	-36.54
CCCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231041	1	42	-1.0	-41.14	347.73	4.67	-36.47
CCCOC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231042	0	48	-1.0	-40.74	373.95	5.75	-34.99
CCCOC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231042	1	48	-1.0	-40.70	374.00	5.75	-34.95
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN1	REAL300020231043	0	39	-1.0	-42.62	344.10	3.18	-39.44
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN1	REAL300020231043	1	39	-1.0	-42.58	344.04	3.16	-39.42
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN1	REAL300020231044	0	39	-1.0	-43.79	324.85	2.69	-41.10
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN1	REAL300020231044	1	39	-1.0	-43.74	324.91	2.70	-41.04
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN1	REAL300020231045	0	36	-1.0	-50.95	309.43	1.77	-49.18
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN1	REAL300020231045	1	36	-1.0	-50.92	309.49	1.78	-49.14
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CN1	REAL300020231046	0	39	-1.0	-45.47	353.02	1.74	-43.73
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CN1	REAL300020231046	1	39	-1.0	-45.45	353.07	1.76	-43.69
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1	REAL300020231047	0	36	-1.0	-43.16	310.88	1.81	-41.35
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1	REAL300020231047	1	36	-1.0	-43.18	310.95	1.82	-41.36
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1	REAL300020231048	0	42	-1.0	-46.52	332.89	3.58	-42.94
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1	REAL300020231048	1	42	-1.0	-46.52	332.94	3.58	-42.94
CN(C)C1=NN=C(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)O1	REAL300020231049	0	48	-1.0	-47.72	392.62	1.82	-45.90
CN(C)C1=NN=C(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)O1	REAL300020231049	1	48	-1.0	-47.69	392.68	1.84	-45.85
CN(C)C1=NN=C(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)O1	REAL300020231050	0	45	-1.0	-58.61	377.47	0.86	-57.75
CN(C)C1=NN=C(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)O1	REAL300020231050	1	45	-1.0	-58.66	377.53	0.88	-57.78
CN(C)C1=NN=C(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)O1	REAL300020231051	0	45	-1.0	-50.16	379.34	0.89	-49.27
CN(C)C1=NN=C(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)O1	REAL300020231051	1	45	-1.0	-50.20	379.41	0.90	-49.30
CN(C)C1=NN=C(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)O1	REAL300020231052	0	51	-1.0	-53.55	401.49	2.62	-50.93
CN(C)C1=NN=C(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)O1	REAL300020231052	1	51	-1.0	-53.52	401.54	2.63	-50.89
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231053	0	44	-1.0	-54.07	385.63	7.37	-46.70
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231053	1	44	-1.0	-54.08	385.69	7.40	-46.68
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231054	0	44	-1.0	-45.13	366.72	6.89	-38.24
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231054	1	44	-1.0	-45.15	366.78	6.90	-38.25
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231055	0	41	-1.0	-53.63	351.33	5.97	-47.66
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231055	1	41	-1.0	-53.60	351.38	5.99	-47.61
CSCC[C@H](NC(=O)NC1=CC=CC(CCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020231056	0	44	-1.0	-47.06	394.57	5.97	-41.09
CSCC[C@H](NC(=O)NC1=CC=CC(CCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020231056	1	44	-1.0	-47.09	394.62	5.98	-41.11
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231057	0	41	-1.0	-45.60	352.66	6.02	-39.58
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231057	1	41	-1.0	-45.58	352.73	6.04	-39.54
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231058	0	47	-1.0	-48.98	374.68	7.78	-41.20
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231058	1	47	-1.0	-48.96	374.73	7.79	-41.17
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2C=CN=N2)=C1	REAL300020231059	0	41	-1.0	-55.28	355.72	4.66	-50.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2C=CN=N2)=C1	REAL300020231059	1	41	-1.0	-55.33	355.66	4.63	-50.70
O=C(NC1=CC=CC(N2C=CN=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231060	0	41	-1.0	-55.98	336.31	4.25	-51.73
O=C(NC1=CC=CC(N2C=CN=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231060	1	41	-1.0	-55.99	336.26	4.23	-51.76
O=C(NC1=CC=CC(N2C=CN=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231061	0	38	-1.0	-67.96	321.25	3.29	-64.67
O=C(NC1=CC=CC(N2C=CN=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231061	1	38	-1.0	-67.94	321.19	3.27	-64.67
CSCC[C@H](NC(=O)NC1=CC=CC(N2C=CN=N2)=C1)C1=NN=N[N-]1	REAL300020231062	0	41	-1.0	-67.35	364.78	3.25	-64.10
CSCC[C@H](NC(=O)NC1=CC=CC(N2C=CN=N2)=C1)C1=N[N-]N=N1	REAL300020231062	1	41	-1.0	-67.33	364.72	3.24	-64.09
O=C(NC1=CC=CC(N2C=CN=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231063	0	38	-1.0	-59.69	322.62	3.33	-56.36
O=C(NC1=CC=CC(N2C=CN=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231063	1	38	-1.0	-59.67	322.55	3.32	-56.35
O=C(NC1=CC=CC(N2C=CN=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231064	0	44	-1.0	-50.68	350.93	4.40	-46.28
O=C(NC1=CC=CC(N2C=CN=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231064	1	44	-1.0	-50.67	350.87	4.37	-46.30
CC1(C)CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2O1	REAL300020231065	0	46	-1.0	-42.99	380.31	6.08	-36.91
CC1(C)CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2O1	REAL300020231065	1	46	-1.0	-42.96	380.25	6.06	-36.90
CC1(C)CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020231066	0	46	-1.0	-45.44	361.48	5.52	-39.92
CC1(C)CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020231066	1	46	-1.0	-45.44	361.53	5.54	-39.90
CC1(C)CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020231067	0	43	-1.0	-56.58	346.08	4.62	-51.96
CC1(C)CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020231067	1	43	-1.0	-56.62	346.14	4.65	-51.97
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)(C)CC2=C1)C1=N[N-]N=N1	REAL300020231068	0	46	-1.0	-49.27	389.72	4.56	-44.71
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)(C)CC2=C1)C1=NN=N[N-]1	REAL300020231068	1	46	-1.0	-49.33	389.78	4.57	-44.76
CC1(C)CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020231069	0	43	-1.0	-45.17	347.59	4.67	-40.50
CC1(C)CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020231069	1	43	-1.0	-45.21	347.67	4.68	-40.53
CC1(C)CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020231070	0	49	-1.0	-42.52	375.54	5.75	-36.77
CC1(C)CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020231070	1	49	-1.0	-42.54	375.59	5.78	-36.76
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=N1	REAL300020231071	0	41	-1.0	-44.51	348.93	2.40	-42.11
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=N1	REAL300020231071	1	41	-1.0	-44.50	348.87	2.38	-42.12
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020231072	0	41	-1.0	-43.10	327.77	1.80	-41.30
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020231072	1	41	-1.0	-43.12	327.83	1.82	-41.30
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020231073	0	38	-1.0	-52.13	313.62	0.92	-51.21
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020231073	1	38	-1.0	-52.17	313.68	0.95	-51.22
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020231074	0	41	-1.0	-45.66	357.13	0.87	-44.79
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020231074	1	41	-1.0	-45.63	357.19	0.89	-44.74
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020231075	0	38	-1.0	-43.71	314.98	0.98	-42.73
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020231075	1	38	-1.0	-43.74	315.06	0.99	-42.75
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020231076	0	44	-1.0	-49.45	335.30	2.65	-46.80
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020231076	1	44	-1.0	-49.47	335.35	2.67	-46.80
COC1=CC(F)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020231077	0	39	-1.0	-42.60	339.21	4.12	-38.48
COC1=CC(F)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020231077	1	39	-1.0	-42.59	339.16	4.10	-38.49
COC1=CC(F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020231078	0	39	-1.0	-44.54	319.95	3.65	-40.89
COC1=CC(F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020231078	1	39	-1.0	-44.56	320.01	3.66	-40.90
COC1=CC(F)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020231079	0	36	-1.0	-53.47	304.66	2.73	-50.74
COC1=CC(F)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020231079	1	36	-1.0	-53.47	304.72	2.73	-50.74
COC1=CC(F)=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020231080	0	39	-1.0	-48.74	348.19	2.69	-46.05
COC1=CC(F)=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020231080	1	39	-1.0	-48.74	348.25	2.71	-46.03
COC1=CC(F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020231081	0	36	-1.0	-44.31	305.80	2.82	-41.49
COC1=CC(F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020231081	1	36	-1.0	-44.30	305.88	2.82	-41.48
COC1=CC(F)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020231082	0	42	-1.0	-41.28	334.43	3.84	-37.44
COC1=CC(F)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020231082	1	42	-1.0	-41.24	334.48	3.86	-37.38
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)N(C)C=C1	REAL300020231083	0	41	-1.0	-67.89	350.20	5.19	-62.70
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)N(C)C=C1	REAL300020231083	1	41	-1.0	-67.88	350.15	5.16	-62.72
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N(C)C=C1	REAL300020231084	0	41	-1.0	-56.89	325.95	5.30	-51.59
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N(C)C=C1	REAL300020231084	1	41	-1.0	-56.90	326.01	5.32	-51.58
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)N(C)C=C1	REAL300020231085	0	38	-1.0	-68.75	315.91	3.76	-64.99
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)N(C)C=C1	REAL300020231085	1	38	-1.0	-68.78	315.97	3.77	-65.01
CSCC[C@H](NC(=O)NC1=C(C)C=CN(C)C1=O)C1=N[N-]N=N1	REAL300020231086	0	41	-1.0	-68.68	357.35	4.13	-64.55
CSCC[C@H](NC(=O)NC1=C(C)C=CN(C)C1=O)C1=NN=N[N-]1	REAL300020231086	1	41	-1.0	-68.66	357.41	4.15	-64.51
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N(C)C=C1	REAL300020231087	0	38	-1.0	-60.99	316.71	3.96	-57.03
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N(C)C=C1	REAL300020231087	1	38	-1.0	-60.97	316.79	3.98	-56.99
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N(C)C=C1	REAL300020231088	0	44	-1.0	-54.89	339.04	4.87	-50.02
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N(C)C=C1	REAL300020231088	1	44	-1.0	-54.86	339.09	4.89	-49.97
N#CCOC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231089	0	40	-1.0	-46.31	358.36	4.99	-41.32
N#CCOC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231089	1	40	-1.0	-46.26	358.30	4.96	-41.30
N#CCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231090	0	40	-1.0	-47.39	339.56	4.48	-42.91
N#CCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231090	1	40	-1.0	-47.39	339.62	4.49	-42.90
N#CCOC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231091	0	37	-1.0	-56.00	324.94	3.56	-52.44
N#CCOC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231091	1	37	-1.0	-56.03	325.00	3.58	-52.45
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OCC#N)C1=N[N-]N=N1	REAL300020231092	0	40	-1.0	-50.05	367.68	3.53	-46.52
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OCC#N)C1=NN=N[N-]1	REAL300020231092	1	40	-1.0	-50.02	367.74	3.55	-46.47
N#CCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231093	0	37	-1.0	-47.10	325.52	3.63	-43.47
N#CCOC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231093	1	37	-1.0	-47.15	325.59	3.64	-43.51
N#CCOC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231094	0	43	-1.0	-42.79	351.81	4.73	-38.06
N#CCOC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231094	1	43	-1.0	-42.79	351.85	4.74	-38.05
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN1C	REAL300020231095	0	42	-1.0	-51.54	361.93	4.96	-46.58
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN1C	REAL300020231095	1	42	-1.0	-51.56	361.87	4.93	-46.63
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN1C	REAL300020231096	0	42	-1.0	-52.96	342.69	4.48	-48.48
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN1C	REAL300020231096	1	42	-1.0	-53.01	342.74	4.50	-48.51
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN1C	REAL300020231097	0	39	-1.0	-67.52	327.25	3.54	-63.98
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN1C	REAL300020231097	1	39	-1.0	-67.55	327.31	3.57	-63.98
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CN1C	REAL300020231098	0	42	-1.0	-58.88	370.86	3.53	-55.35
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CN1C	REAL300020231098	1	42	-1.0	-58.88	370.92	3.54	-55.34
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1C	REAL300020231099	0	39	-1.0	-55.04	328.71	3.62	-51.42
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1C	REAL300020231099	1	39	-1.0	-55.09	328.78	3.62	-51.47
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1C	REAL300020231100	0	45	-1.0	-63.16	350.72	5.37	-57.79
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1C	REAL300020231100	1	45	-1.0	-63.16	350.76	5.37	-57.79
COC1=CC(F)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020231101	0	39	-1.0	-54.63	343.50	4.26	-50.37
COC1=CC(F)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020231101	1	39	-1.0	-54.63	343.45	4.23	-50.40
COC1=CC(F)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020231102	0	39	-1.0	-44.29	324.74	3.78	-40.51
COC1=CC(F)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020231102	1	39	-1.0	-44.25	324.80	3.79	-40.46
COC1=CC(F)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020231103	0	36	-1.0	-52.79	309.32	2.85	-49.94
COC1=CC(F)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020231103	1	36	-1.0	-52.80	309.37	2.86	-49.94
COC1=CC(F)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020231104	0	39	-1.0	-47.76	352.84	2.81	-44.95
COC1=CC(F)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020231104	1	39	-1.0	-47.77	352.90	2.82	-44.95
COC1=CC(F)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020231105	0	36	-1.0	-43.86	310.67	2.91	-40.95
COC1=CC(F)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020231105	1	36	-1.0	-43.89	310.74	2.92	-40.97
COC1=CC(F)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020231106	0	42	-1.0	-49.34	333.29	4.64	-44.70
COC1=CC(F)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020231106	1	42	-1.0	-49.38	333.35	4.64	-44.74
CC1=NC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2O1	REAL300020231107	0	40	-1.0	-46.02	346.58	2.49	-43.53
CC1=NC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2O1	REAL300020231107	1	40	-1.0	-46.04	346.52	2.47	-43.57
CC1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020231108	0	40	-1.0	-45.49	327.93	1.91	-43.58
CC1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020231108	1	40	-1.0	-45.47	327.99	1.93	-43.54
CC1=NC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020231109	0	37	-1.0	-54.48	312.36	1.01	-53.47
CC1=NC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020231109	1	37	-1.0	-54.49	312.42	1.03	-53.46
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)=NC2=C1)C1=N[N-]N=N1	REAL300020231110	0	40	-1.0	-48.28	356.04	0.97	-47.31
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)=NC2=C1)C1=NN=N[N-]1	REAL300020231110	1	40	-1.0	-48.23	356.09	0.98	-47.25
CC1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020231111	0	37	-1.0	-52.76	313.89	1.07	-51.69
CC1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020231111	1	37	-1.0	-52.74	313.96	1.09	-51.65
CC1=NC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020231112	0	43	-1.0	-49.89	334.18	2.82	-47.07
CC1=NC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020231112	1	43	-1.0	-49.88	334.22	2.84	-47.04
COC1=NC=NC(N(C)C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231113	0	45	-1.0	-45.65	376.26	3.43	-42.22
COC1=NC=NC(N(C)C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231113	1	45	-1.0	-45.62	376.20	3.41	-42.21
COC1=NC=NC(N(C)C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231114	0	45	-1.0	-45.47	359.49	2.82	-42.65
COC1=NC=NC(N(C)C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231114	1	45	-1.0	-45.47	359.43	2.80	-42.67
COC1=NC=NC(N(C)C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231115	0	42	-1.0	-53.05	343.71	1.14	-51.91
COC1=NC=NC(N(C)C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231115	1	42	-1.0	-53.07	343.65	1.11	-51.96
COC1=NC=NC(N(C)C)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231116	0	45	-1.0	-46.70	387.25	1.09	-45.61
COC1=NC=NC(N(C)C)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231116	1	45	-1.0	-46.69	387.19	1.08	-45.61
COC1=NC=NC(N(C)C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231117	0	42	-1.0	-45.27	347.16	0.52	-44.75
COC1=NC=NC(N(C)C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231117	1	42	-1.0	-45.31	347.09	0.50	-44.81
COC1=NC=NC(N(C)C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231118	0	48	-1.0	-50.36	364.85	3.67	-46.69
COC1=NC=NC(N(C)C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231118	1	48	-1.0	-50.30	364.74	3.68	-46.62
CN(C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC1	REAL300020231119	0	53	-1.0	-40.63	417.31	7.31	-33.32
CN(C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC1	REAL300020231119	1	53	-1.0	-40.61	417.25	7.29	-33.32
CN(C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCC1	REAL300020231120	0	53	-1.0	-42.09	401.11	6.79	-35.30
CN(C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCC1	REAL300020231120	1	53	-1.0	-42.10	401.17	6.81	-35.29
CN(C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCC1	REAL300020231121	0	50	-1.0	-54.25	383.09	5.89	-48.36
CN(C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCC1	REAL300020231121	1	50	-1.0	-54.26	383.15	5.90	-48.36
CSCC[C@H](NC(=O)NC1=CC=CC=C1N(C)C1CCCC1)C1=N[N-]N=N1	REAL300020231122	0	53	-1.0	-46.68	426.61	5.85	-40.83
CSCC[C@H](NC(=O)NC1=CC=CC=C1N(C)C1CCCC1)C1=NN=N[N-]1	REAL300020231122	1	53	-1.0	-46.70	426.67	5.86	-40.84
CN(C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300020231123	0	50	-1.0	-42.26	382.41	5.84	-36.42
CN(C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020231123	1	50	-1.0	-42.24	382.48	5.85	-36.39
CN(C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCC1	REAL300020231124	0	56	-1.0	-48.58	409.35	7.30	-41.28
CN(C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCC1	REAL300020231124	1	56	-1.0	-48.59	409.39	7.31	-41.28
COC(=O)C1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020231125	0	38	-1.0	-42.25	349.35	4.57	-37.68
COC(=O)C1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020231125	1	38	-1.0	-42.23	349.29	4.54	-37.69
COC(=O)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020231126	0	38	-1.0	-43.42	330.10	4.07	-39.35
COC(=O)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020231126	1	38	-1.0	-43.40	330.16	4.09	-39.31
COC(=O)C1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020231127	0	35	-1.0	-49.67	314.65	3.18	-46.49
COC(=O)C1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020231127	1	35	-1.0	-49.67	314.71	3.20	-46.47
COC(=O)C1=CSC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020231128	0	38	-1.0	-44.43	358.27	3.14	-41.29
COC(=O)C1=CSC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020231128	1	38	-1.0	-44.45	358.33	3.15	-41.30
COC(=O)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020231129	0	35	-1.0	-42.39	316.13	3.21	-39.18
COC(=O)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020231129	1	35	-1.0	-42.45	316.20	3.23	-39.22
COC(=O)C1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020231130	0	41	-1.0	-45.21	338.50	4.96	-40.25
COC(=O)C1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020231130	1	41	-1.0	-45.18	338.53	4.97	-40.21
CC1=NC(CC(C)C)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020231131	0	46	-1.0	-40.94	385.36	5.69	-35.25
CC1=NC(CC(C)C)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020231131	1	46	-1.0	-40.94	385.30	5.66	-35.28
CC1=NC(CC(C)C)=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020231131	1	45	-2.0	-85.59	388.86	4.50	-81.09
CC1=NC(CC(C)C)=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020231131	1	45	-2.0	-85.62	388.80	4.47	-81.15
CC1=NC(CC(C)C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020231132	0	46	-1.0	-42.22	371.17	5.12	-37.10
CC1=NC(CC(C)C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020231132	1	46	-1.0	-42.24	371.23	5.13	-37.11
CC1=NC(CC(C)C)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020231133	0	43	-1.0	-51.04	350.68	4.29	-46.75
CC1=NC(CC(C)C)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020231133	1	43	-1.0	-51.06	350.74	4.30	-46.76
CSCC[C@H](NC(=O)NC1=C(CC(C)C)N=C(C)S1)C1=N[N-]N=N1	REAL300020231134	0	46	-1.0	-44.90	394.29	4.26	-40.64
CSCC[C@H](NC(=O)NC1=C(CC(C)C)N=C(C)S1)C1=NN=N[N-]1	REAL300020231134	1	46	-1.0	-44.93	394.35	4.27	-40.66
CC1=NC(CC(C)C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020231135	0	43	-1.0	-42.15	357.20	4.25	-37.90
CC1=NC(CC(C)C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020231135	1	43	-1.0	-42.13	357.28	4.26	-37.87
CC1=NC(CC(C)C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020231136	0	49	-1.0	-47.27	379.45	5.98	-41.29
CC1=NC(CC(C)C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020231136	1	49	-1.0	-47.29	379.50	5.98	-41.31
CC1=COC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=N1	REAL300020231137	0	44	-1.0	-47.89	380.91	3.94	-43.95
CC1=COC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=N1	REAL300020231137	1	44	-1.0	-47.85	380.85	3.92	-43.93
CC1=COC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300020231138	0	44	-1.0	-49.48	362.01	3.43	-46.05
CC1=COC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300020231138	1	44	-1.0	-49.49	361.95	3.42	-46.07
CC1=COC(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020231139	0	41	-1.0	-59.68	346.87	2.48	-57.20
CC1=COC(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020231139	1	41	-1.0	-59.66	346.82	2.47	-57.19
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC(C)=CO2)=C1)C1=NN=N[N-]1	REAL300020231140	0	44	-1.0	-56.00	390.41	2.44	-53.56
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC(C)=CO2)=C1)C1=N[N-]N=N1	REAL300020231140	1	44	-1.0	-56.02	390.35	2.43	-53.59
CC1=COC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020231141	0	41	-1.0	-50.87	348.27	2.54	-48.33
CC1=COC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020231141	1	41	-1.0	-50.86	348.20	2.52	-48.34
CC1=COC(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020231142	0	47	-1.0	-44.85	376.60	3.60	-41.25
CC1=COC(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020231142	1	47	-1.0	-44.81	376.55	3.58	-41.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1CCC(F)(F)F	REAL300020231143	0	44	-1.0	-42.80	381.17	7.59	-35.21
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1CCC(F)(F)F	REAL300020231143	1	44	-1.0	-42.79	381.23	7.62	-35.17
O=C(NC1=CC=CC=C1CCC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231144	0	44	-1.0	-43.19	361.66	7.03	-36.16
O=C(NC1=CC=CC=C1CCC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231144	1	44	-1.0	-43.21	361.72	7.05	-36.16
O=C(NC1=CC=CC=C1CCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020231145	0	41	-1.0	-54.71	346.81	6.22	-48.49
O=C(NC1=CC=CC=C1CCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020231145	1	41	-1.0	-54.67	346.87	6.23	-48.44
CSCC[C@H](NC(=O)NC1=CC=CC=C1CCC(F)(F)F)C1=N[N-]N=N1	REAL300020231146	0	44	-1.0	-47.16	390.33	6.19	-40.97
CSCC[C@H](NC(=O)NC1=CC=CC=C1CCC(F)(F)F)C1=NN=N[N-]1	REAL300020231146	1	44	-1.0	-47.16	390.38	6.20	-40.96
O=C(NC1=CC=CC=C1CCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020231147	0	41	-1.0	-44.01	347.50	6.22	-37.79
O=C(NC1=CC=CC=C1CCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020231147	1	41	-1.0	-44.04	347.58	6.23	-37.81
O=C(NC1=CC=CC=C1CCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020231148	0	47	-1.0	-40.15	371.44	7.19	-32.96
O=C(NC1=CC=CC=C1CCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020231148	1	47	-1.0	-40.12	371.50	7.20	-32.92
CC(C)SC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231149	0	45	-1.0	-41.72	378.02	7.32	-34.40
CC(C)SC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231149	1	45	-1.0	-41.69	377.96	7.29	-34.40
CC(C)SC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231150	0	45	-1.0	-43.88	360.22	6.81	-37.07
CC(C)SC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231150	1	45	-1.0	-43.88	360.27	6.82	-37.06
CC(C)SC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231151	0	42	-1.0	-54.11	343.51	5.90	-48.21
CC(C)SC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231151	1	42	-1.0	-54.11	343.57	5.92	-48.19
CSCC[C@H](NC(=O)NC1=CC=CC=C1SC(C)C)C1=N[N-]N=N1	REAL300020231152	0	45	-1.0	-47.21	386.73	5.84	-41.37
CSCC[C@H](NC(=O)NC1=CC=CC=C1SC(C)C)C1=NN=N[N-]1	REAL300020231152	1	45	-1.0	-47.20	386.79	5.86	-41.34
CC(C)SC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231153	0	42	-1.0	-43.23	344.91	5.97	-37.26
CC(C)SC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231153	1	42	-1.0	-43.24	344.99	5.98	-37.26
CC(C)SC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231154	0	48	-1.0	-43.01	368.37	6.90	-36.11
CC(C)SC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231154	1	48	-1.0	-43.03	368.39	6.90	-36.13
O=C([N-]C1=NN=C(CC(F)(F)F)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231155	0	35	-2.0	-90.17	343.72	2.86	-87.31
O=C([N-]C1=NN=C(CC(F)(F)F)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231155	1	35	-2.0	-90.16	343.78	2.88	-87.28
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231156	0	35	-2.0	-92.14	326.76	2.73	-89.41
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231156	1	35	-2.0	-92.12	326.82	2.75	-89.37
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020231157	0	32	-2.0	-114.77	310.93	1.63	-113.14
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020231157	1	32	-2.0	-114.76	310.99	1.65	-113.11
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C1=N[N-]N=N1	REAL300020231158	0	35	-2.0	-105.49	352.71	1.44	-104.05
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C1=NN=N[N-]1	REAL300020231158	1	35	-2.0	-105.47	352.77	1.46	-104.01
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231159	0	32	-2.0	-94.08	311.67	1.68	-92.40
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231159	1	32	-2.0	-94.07	311.74	1.70	-92.37
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231160	0	38	-2.0	-113.07	335.26	3.60	-109.47
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231160	1	38	-2.0	-113.03	335.31	3.62	-109.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN(CC(F)(F)F)C1=O	REAL300020231161	0	41	-1.0	-59.87	367.69	5.49	-54.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN(CC(F)(F)F)C1=O	REAL300020231161	1	41	-1.0	-59.87	367.75	5.52	-54.35
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231162	0	41	-1.0	-49.21	344.43	4.31	-44.90
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231162	1	41	-1.0	-49.19	344.48	4.33	-44.86
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)N1CCCC1C1=N[N-]N=N1	REAL300020231163	0	38	-1.0	-74.64	333.01	4.46	-70.18
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)N1CCCC1C1=NN=N[N-]1	REAL300020231163	1	38	-1.0	-74.68	333.07	4.49	-70.19
CSCC[C@H](NC(=O)NC1=CC=CN(CC(F)(F)F)C1=O)C1=N[N-]N=N1	REAL300020231164	0	41	-1.0	-57.98	376.94	4.10	-53.88
CSCC[C@H](NC(=O)NC1=CC=CN(CC(F)(F)F)C1=O)C1=NN=N[N-]1	REAL300020231164	1	41	-1.0	-57.96	377.00	4.11	-53.85
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231165	0	38	-1.0	-58.29	334.39	4.52	-53.77
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231165	1	38	-1.0	-58.23	334.46	4.54	-53.69
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231166	0	44	-1.0	-64.77	356.54	6.08	-58.69
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231166	1	44	-1.0	-64.72	356.60	6.09	-58.63
COC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020231167	0	48	-1.0	-57.45	396.60	6.75	-50.70
COC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020231167	1	48	-1.0	-57.46	396.66	6.77	-50.69
COC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020231168	0	48	-1.0	-48.20	398.10	6.79	-41.41
COC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020231168	1	48	-1.0	-48.21	398.18	6.81	-41.40
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231169	0	56	-1.0	-43.46	416.08	7.03	-36.43
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231169	1	56	-1.0	-43.50	416.14	7.05	-36.45
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231170	0	53	-1.0	-55.86	402.14	6.18	-49.68
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231170	1	53	-1.0	-55.80	402.20	6.21	-49.59
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231171	0	53	-1.0	-43.85	403.64	6.20	-37.65
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231171	1	53	-1.0	-43.87	403.71	6.22	-37.65
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231172	0	59	-1.0	-50.55	425.48	8.04	-42.51
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231172	1	59	-1.0	-50.53	425.54	8.04	-42.49
CC1=CC(Cl)=NC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231173	0	37	-1.0	-50.89	333.71	4.31	-46.58
CC1=CC(Cl)=NC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231173	1	37	-1.0	-50.88	333.65	4.29	-46.59
CC1=CC(Cl)=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231174	0	37	-1.0	-44.89	314.63	3.80	-41.09
CC1=CC(Cl)=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231174	1	37	-1.0	-44.94	314.68	3.82	-41.12
CC1=CC(Cl)=NC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231175	0	34	-1.0	-56.83	299.30	2.89	-53.94
CC1=CC(Cl)=NC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231175	1	34	-1.0	-56.84	299.36	2.90	-53.94
CSCC[C@H](NC(=O)NC1=CN=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020231176	0	37	-1.0	-47.00	341.89	2.80	-44.20
CSCC[C@H](NC(=O)NC1=CN=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020231176	1	37	-1.0	-46.97	341.95	2.82	-44.15
CC1=CC(Cl)=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231177	0	34	-1.0	-45.75	299.69	2.90	-42.85
CC1=CC(Cl)=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231177	1	34	-1.0	-45.77	299.77	2.91	-42.86
CC1=CC(Cl)=NC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231178	0	40	-1.0	-52.86	319.96	4.56	-48.30
CC1=CC(Cl)=NC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231178	1	40	-1.0	-52.87	320.00	4.58	-48.29
CN1C=C(C2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)N3C=CC=CC3=N2)C=N1	REAL300020231179	0	48	-1.0	-48.47	392.32	7.03	-41.44
CN1C=C(C2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)N3C=CC=CC3=N2)C=N1	REAL300020231179	1	48	-1.0	-48.49	392.26	7.01	-41.48
CN1C=C(C2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)N3C=CC=CC3=N2)C=N1	REAL300020231180	0	45	-1.0	-58.60	384.10	6.16	-52.44
CN1C=C(C2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)N3C=CC=CC3=N2)C=N1	REAL300020231180	1	45	-1.0	-58.59	384.04	6.15	-52.44
CN1C=C(C2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)N3C=CC=CC3=N2)C=N1	REAL300020231181	0	45	-1.0	-51.60	385.50	6.22	-45.38
CN1C=C(C2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)N3C=CC=CC3=N2)C=N1	REAL300020231181	1	45	-1.0	-51.59	385.42	6.21	-45.38
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(S(C)(=O)=O)=C1	REAL300020231182	0	44	-1.0	-63.98	384.08	1.55	-62.43
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(S(C)(=O)=O)=C1	REAL300020231182	1	44	-1.0	-63.97	384.14	1.58	-62.39
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(S(C)(=O)=O)=C1	REAL300020231183	0	44	-1.0	-54.43	385.35	1.64	-52.79
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(S(C)(=O)=O)=C1	REAL300020231183	1	44	-1.0	-54.46	385.43	1.65	-52.81
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(Br)C1=O	REAL300020231184	0	38	-1.0	-51.29	332.06	3.71	-47.58
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(Br)C1=O	REAL300020231184	1	38	-1.0	-51.36	332.12	3.73	-47.63
CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C(Br)C1=O	REAL300020231185	0	35	-1.0	-56.47	317.41	2.79	-53.68
CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C(Br)C1=O	REAL300020231185	1	35	-1.0	-56.51	317.47	2.81	-53.70
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Br)C1=O	REAL300020231186	0	35	-1.0	-51.07	317.95	2.86	-48.21
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Br)C1=O	REAL300020231186	1	35	-1.0	-51.05	318.03	2.88	-48.17
CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(Br)C1=O	REAL300020231187	0	41	-1.0	-39.28	342.00	3.85	-35.43
CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(Br)C1=O	REAL300020231187	1	41	-1.0	-39.29	342.05	3.86	-35.43
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231188	0	43	-1.0	-48.11	362.35	6.65	-41.46
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231188	1	43	-1.0	-48.09	362.29	6.62	-41.47
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231189	0	43	-1.0	-44.53	346.80	6.37	-38.16
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231189	1	43	-1.0	-44.49	346.85	6.39	-38.10
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231190	0	40	-1.0	-56.11	325.15	5.07	-51.04
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231190	1	40	-1.0	-56.11	325.21	5.09	-51.02
CSCC[C@H](NC(=O)NC1=C(C)C=CC([N+](=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020231191	0	43	-1.0	-48.55	377.07	5.57	-42.98
CSCC[C@H](NC(=O)NC1=C(C)C=CC([N+](=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020231191	1	43	-1.0	-48.59	377.13	5.59	-43.00
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231192	0	40	-1.0	-43.82	332.58	5.58	-38.24
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231192	1	40	-1.0	-43.85	332.66	5.59	-38.26
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231193	0	46	-1.0	-49.17	349.50	6.40	-42.77
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231193	1	46	-1.0	-49.17	349.54	6.41	-42.76
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN=C1Cl	REAL300020231194	0	37	-1.0	-51.13	333.63	4.04	-47.09
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN=C1Cl	REAL300020231194	1	37	-1.0	-51.11	333.58	4.02	-47.09
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1Cl	REAL300020231195	0	37	-1.0	-45.98	314.65	3.49	-42.49
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN=C1Cl	REAL300020231195	1	37	-1.0	-45.92	314.59	3.48	-42.44
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN=C1Cl	REAL300020231196	0	34	-1.0	-50.20	299.38	2.64	-47.56
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN=C1Cl	REAL300020231196	1	34	-1.0	-50.19	299.33	2.63	-47.56
CSCC[C@H](NC(=O)NC1=CN=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300020231197	0	37	-1.0	-44.68	342.86	2.60	-42.08
CSCC[C@H](NC(=O)NC1=CN=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300020231197	1	37	-1.0	-44.69	342.81	2.59	-42.10
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1Cl	REAL300020231198	0	34	-1.0	-42.33	300.49	2.71	-39.62
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1Cl	REAL300020231198	1	34	-1.0	-42.36	300.41	2.70	-39.66
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1Cl	REAL300020231199	0	40	-1.0	-39.48	327.32	3.72	-35.76
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1Cl	REAL300020231199	1	40	-1.0	-39.46	327.27	3.71	-35.75
CC1=CC(Br)=NC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231200	0	37	-1.0	-50.84	338.24	4.37	-46.47
CC1=CC(Br)=NC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231200	1	37	-1.0	-50.78	338.30	4.39	-46.39
CC1=CC(Br)=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231201	0	37	-1.0	-44.82	319.22	3.88	-40.94
CC1=CC(Br)=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231201	1	37	-1.0	-44.84	319.27	3.89	-40.95
CC1=CC(Br)=NC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231202	0	34	-1.0	-56.72	303.90	2.96	-53.76
CC1=CC(Br)=NC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231202	1	34	-1.0	-56.72	303.95	2.98	-53.74
CSCC[C@H](NC(=O)NC1=CN=C(Br)C=C1C)C1=N[N-]N=N1	REAL300020231203	0	37	-1.0	-46.93	346.48	2.88	-44.05
CSCC[C@H](NC(=O)NC1=CN=C(Br)C=C1C)C1=NN=N[N-]1	REAL300020231203	1	37	-1.0	-46.93	346.54	2.89	-44.04
CC1=CC(Br)=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231204	0	34	-1.0	-45.63	304.28	2.97	-42.66
CC1=CC(Br)=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231204	1	34	-1.0	-45.60	304.36	2.98	-42.62
CC1=CC(Br)=NC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231205	0	40	-1.0	-52.72	324.55	4.64	-48.08
CC1=CC(Br)=NC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231205	1	40	-1.0	-52.70	324.59	4.64	-48.06
O=C(NC1=CC=C2COCC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231206	0	40	-1.0	-44.68	338.83	4.14	-40.54
O=C(NC1=CC=C2COCC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231206	1	40	-1.0	-44.69	338.77	4.11	-40.58
O=C(NC1=CC=C2COCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231207	0	40	-1.0	-43.94	320.15	3.57	-40.37
O=C(NC1=CC=C2COCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231207	1	40	-1.0	-43.97	320.21	3.58	-40.39
O=C(NC1=CC=C2COCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231208	0	37	-1.0	-55.09	304.60	2.67	-52.42
O=C(NC1=CC=C2COCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231208	1	37	-1.0	-55.05	304.66	2.70	-52.35
CSCC[C@H](NC(=O)NC1=CC=C2COCC2=C1)C1=N[N-]N=N1	REAL300020231209	0	40	-1.0	-46.48	348.28	2.62	-43.86
CSCC[C@H](NC(=O)NC1=CC=C2COCC2=C1)C1=NN=N[N-]1	REAL300020231209	1	40	-1.0	-46.48	348.34	2.64	-43.84
O=C(NC1=CC=C2COCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231210	0	37	-1.0	-43.71	305.84	2.75	-40.96
O=C(NC1=CC=C2COCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231210	1	37	-1.0	-43.73	305.91	2.75	-40.98
O=C(NC1=CC=C2COCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231211	0	43	-1.0	-40.89	334.51	3.77	-37.12
O=C(NC1=CC=C2COCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231211	1	43	-1.0	-40.87	334.56	3.80	-37.07
O=C(NC1=CC(F)=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231212	0	35	-1.0	-40.29	315.56	5.10	-35.19
O=C(NC1=CC(F)=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231212	1	35	-1.0	-40.31	315.62	5.11	-35.20
O=C(NC1=CC(F)=C(Br)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020231213	0	32	-1.0	-49.99	301.39	4.16	-45.83
O=C(NC1=CC(F)=C(Br)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020231213	1	32	-1.0	-50.02	301.45	4.19	-45.83
O=C(NC1=CC(F)=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020231214	0	32	-1.0	-40.39	301.95	4.22	-36.17
O=C(NC1=CC(F)=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020231214	1	32	-1.0	-40.39	302.02	4.23	-36.16
CN1C(=O)OC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C21	REAL300020231215	0	41	-1.0	-46.00	356.36	4.75	-41.25
CN1C(=O)OC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C21	REAL300020231215	1	41	-1.0	-46.04	356.30	4.72	-41.32
CN1C(=O)OC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300020231216	0	41	-1.0	-46.84	337.95	4.27	-42.57
CN1C(=O)OC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300020231216	1	41	-1.0	-46.90	338.01	4.28	-42.62
CN1C(=O)OC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020231217	0	38	-1.0	-54.80	322.08	3.34	-51.46
CN1C(=O)OC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020231217	1	38	-1.0	-54.82	322.14	3.36	-51.46
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OC(=O)N2C)C1=N[N-]N=N1	REAL300020231218	0	41	-1.0	-47.54	365.16	3.29	-44.25
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OC(=O)N2C)C1=NN=N[N-]1	REAL300020231218	1	41	-1.0	-47.58	365.21	3.31	-44.27
CN1C(=O)OC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020231219	0	38	-1.0	-45.95	323.42	3.40	-42.55
CN1C(=O)OC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020231219	1	38	-1.0	-45.98	323.50	3.42	-42.56
CN1C(=O)OC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020231220	0	44	-1.0	-50.96	345.89	5.24	-45.72
CN1C(=O)OC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020231220	1	44	-1.0	-50.98	345.95	5.25	-45.73
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCNC(=O)C2=C1	REAL300020231221	0	43	-1.0	-55.25	362.78	3.26	-51.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCNC(=O)C2=C1	REAL300020231221	1	43	-1.0	-55.27	362.73	3.23	-52.04
O=C(NC1=CC=C2CCNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231222	0	43	-1.0	-48.15	343.78	2.73	-45.42
O=C(NC1=CC=C2CCNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231222	1	43	-1.0	-48.18	343.84	2.75	-45.43
O=C(NC1=CC=C2CCNC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231223	0	40	-1.0	-77.29	328.22	1.83	-75.46
O=C(NC1=CC=C2CCNC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231223	1	40	-1.0	-77.31	328.28	1.86	-75.45
CSCC[C@H](NC(=O)NC1=CC=C2CCNC(=O)C2=C1)C1=N[N-]N=N1	REAL300020231224	0	43	-1.0	-67.36	371.90	1.79	-65.57
CSCC[C@H](NC(=O)NC1=CC=C2CCNC(=O)C2=C1)C1=NN=N[N-]1	REAL300020231224	1	43	-1.0	-67.34	371.95	1.81	-65.53
O=C(NC1=CC=C2CCNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231225	0	40	-1.0	-59.84	329.74	1.88	-57.96
O=C(NC1=CC=C2CCNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231225	1	40	-1.0	-59.77	329.81	1.89	-57.88
O=C(NC1=CC=C2CCNC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231226	0	46	-1.0	-52.78	357.69	2.99	-49.79
O=C(NC1=CC=C2CCNC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231226	1	46	-1.0	-52.76	357.74	3.00	-49.76
CCC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=NO1	REAL300020231227	0	40	-1.0	-44.67	339.51	4.32	-40.35
CCC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=NO1	REAL300020231227	1	40	-1.0	-44.65	339.45	4.30	-40.35
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=NO1	REAL300020231228	0	40	-1.0	-42.72	320.67	3.77	-38.95
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=NO1	REAL300020231228	1	40	-1.0	-42.74	320.73	3.78	-38.96
CCC1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=NO1	REAL300020231229	0	40	-1.0	-45.87	353.14	2.80	-43.07
CCC1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=NO1	REAL300020231229	1	40	-1.0	-45.87	353.19	2.82	-43.05
CCC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=NO1	REAL300020231230	0	43	-1.0	-43.70	318.90	4.23	-39.47
CCC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=NO1	REAL300020231230	1	43	-1.0	-43.74	319.04	4.23	-39.51
CC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020231231	0	43	-1.0	-42.82	359.15	5.91	-36.91
CC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020231231	1	43	-1.0	-42.81	359.09	5.89	-36.92
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020231232	0	43	-1.0	-44.03	340.96	5.36	-38.67
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020231232	1	43	-1.0	-44.06	341.02	5.38	-38.68
CC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020231233	0	40	-1.0	-52.30	324.34	4.48	-47.82
CC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020231233	1	40	-1.0	-52.33	324.40	4.49	-47.84
CSCC[C@H](NC(=O)NC1=CC=C(C(C)=O)C(C)=C1)C1=N[N-]N=N1	REAL300020231234	0	43	-1.0	-46.71	370.72	4.50	-42.21
CSCC[C@H](NC(=O)NC1=CC=C(C(C)=O)C(C)=C1)C1=NN=N[N-]1	REAL300020231234	1	43	-1.0	-46.76	370.77	4.51	-42.25
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020231235	0	40	-1.0	-49.37	326.67	4.51	-44.86
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020231235	1	40	-1.0	-49.39	326.75	4.52	-44.87
CC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020231236	0	46	-1.0	-42.04	350.42	5.49	-36.55
CC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020231236	1	46	-1.0	-42.02	350.46	5.49	-36.53
O=C(NC1=CC=C(C2=NC=CO2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231237	0	41	-1.0	-51.80	358.91	3.35	-48.45
O=C(NC1=CC=C(C2=NC=CO2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231237	1	41	-1.0	-51.83	358.86	3.32	-48.51
O=C(NC1=CC=C(C2=NC=CO2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231238	0	41	-1.0	-46.72	338.89	2.85	-43.87
O=C(NC1=CC=C(C2=NC=CO2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231238	1	41	-1.0	-46.73	338.83	2.84	-43.89
O=C(NC1=CC=C(C2=NC=CO2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231239	0	38	-1.0	-56.87	324.59	1.92	-54.95
O=C(NC1=CC=C(C2=NC=CO2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231239	1	38	-1.0	-56.87	324.54	1.91	-54.96
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC=CO2)C=C1)C1=NN=N[N-]1	REAL300020231240	0	41	-1.0	-52.13	368.14	1.89	-50.24
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC=CO2)C=C1)C1=N[N-]N=N1	REAL300020231240	1	41	-1.0	-52.18	368.08	1.87	-50.31
O=C(NC1=CC=C(C2=NC=CO2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231241	0	38	-1.0	-48.14	326.01	1.97	-46.17
O=C(NC1=CC=C(C2=NC=CO2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231241	1	38	-1.0	-48.14	325.93	1.96	-46.18
O=C(NC1=CC=C(C2=NC=CO2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231242	0	44	-1.0	-52.73	345.76	3.77	-48.96
O=C(NC1=CC=C(C2=NC=CO2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231242	1	44	-1.0	-52.73	345.72	3.76	-48.97
CC(C)(C)OC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020231243	0	50	-1.0	-49.78	412.35	7.52	-42.26
CC(C)(C)OC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020231243	1	50	-1.0	-49.79	412.41	7.55	-42.24
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020231244	0	50	-1.0	-44.73	392.32	7.02	-37.71
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020231244	1	50	-1.0	-44.79	392.37	7.03	-37.76
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020231245	0	47	-1.0	-57.86	378.03	6.11	-51.75
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020231245	1	47	-1.0	-57.87	378.08	6.12	-51.75
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020231246	0	50	-1.0	-51.13	421.89	6.04	-45.09
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)OC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020231246	1	50	-1.0	-51.15	421.95	6.05	-45.10
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020231247	0	47	-1.0	-44.59	379.71	6.14	-38.45
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020231247	1	47	-1.0	-44.60	379.78	6.15	-38.45
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020231248	0	53	-1.0	-49.38	401.64	7.92	-41.46
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020231248	1	53	-1.0	-49.41	401.69	7.92	-41.49
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231249	0	48	-1.0	-40.14	388.00	6.13	-34.01
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231249	1	48	-1.0	-40.13	387.95	6.11	-34.02
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231250	0	48	-1.0	-41.19	369.24	5.66	-35.53
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231250	1	48	-1.0	-41.19	369.30	5.68	-35.51
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231251	0	45	-1.0	-51.81	355.05	4.74	-47.07
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231251	1	45	-1.0	-51.78	355.11	4.77	-47.01
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OC(C)(C)C)C1=N[N-]N=N1	REAL300020231252	0	48	-1.0	-45.13	398.73	4.68	-40.45
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OC(C)(C)C)C1=NN=N[N-]1	REAL300020231252	1	48	-1.0	-45.15	398.79	4.70	-40.45
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231253	0	45	-1.0	-41.98	356.54	4.79	-37.19
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231253	1	45	-1.0	-41.94	356.62	4.80	-37.14
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231254	0	51	-1.0	-48.64	378.07	6.64	-42.00
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231254	1	51	-1.0	-48.59	378.12	6.64	-41.95
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020231255	0	45	-1.0	-49.03	376.03	5.81	-43.22
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020231255	1	45	-1.0	-48.96	375.97	5.79	-43.17
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020231256	0	45	-1.0	-43.82	355.47	5.32	-38.50
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020231256	1	45	-1.0	-43.85	355.52	5.34	-38.51
CCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020231257	0	42	-1.0	-56.40	341.34	4.41	-51.99
CCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020231257	1	42	-1.0	-56.42	341.40	4.42	-52.00
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020231258	0	45	-1.0	-48.18	385.16	4.33	-43.85
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020231258	1	45	-1.0	-48.13	385.21	4.35	-43.78
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020231259	0	42	-1.0	-43.86	343.04	4.45	-39.41
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020231259	1	42	-1.0	-43.86	343.11	4.45	-39.41
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020231260	0	48	-1.0	-49.19	364.92	6.21	-42.98
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020231260	1	48	-1.0	-49.17	364.97	6.21	-42.96
COC1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231261	0	39	-1.0	-43.59	337.62	4.26	-39.33
COC1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231261	1	39	-1.0	-43.62	337.56	4.24	-39.38
COC1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231262	0	39	-1.0	-45.49	319.44	3.75	-41.74
COC1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231262	1	39	-1.0	-45.53	319.49	3.76	-41.77
COC1=CC=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231263	0	36	-1.0	-55.49	302.91	2.86	-52.63
COC1=CC=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231263	1	36	-1.0	-55.52	302.96	2.87	-52.65
COC1=CC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231264	0	39	-1.0	-48.42	347.24	2.82	-45.60
COC1=CC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231264	1	39	-1.0	-48.44	347.30	2.84	-45.60
COC1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231265	0	36	-1.0	-45.59	305.10	2.91	-42.68
COC1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231265	1	36	-1.0	-45.58	305.17	2.92	-42.66
COC1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231266	0	42	-1.0	-43.98	333.03	3.96	-40.02
COC1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231266	1	42	-1.0	-44.03	333.08	3.97	-40.06
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231267	0	52	-1.0	-53.98	408.08	4.48	-49.50
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231267	1	52	-1.0	-54.01	408.14	4.50	-49.51
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231268	0	52	-1.0	-45.48	409.42	4.52	-40.96
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231268	1	52	-1.0	-45.43	409.49	4.53	-40.90
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NC=N1	REAL300020231269	0	37	-1.0	-44.11	326.51	2.75	-41.36
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NC=N1	REAL300020231269	1	37	-1.0	-44.05	326.46	2.73	-41.32
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC=N1	REAL300020231270	0	37	-1.0	-43.98	304.52	1.68	-42.30
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC=N1	REAL300020231270	1	37	-1.0	-43.98	304.46	1.67	-42.31
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NC=N1	REAL300020231271	0	37	-1.0	-48.51	335.51	1.33	-47.18
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NC=N1	REAL300020231271	1	37	-1.0	-48.53	335.45	1.31	-47.22
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=N1	REAL300020231272	0	40	-1.0	-51.61	315.85	3.25	-48.36
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=N1	REAL300020231272	1	40	-1.0	-51.66	315.80	3.25	-48.41
O=C(NC1=CC=C(Cl)C=C1C(=O)C1=CC=CN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231273	0	45	-1.0	-42.55	387.92	6.28	-36.27
O=C(NC1=CC=C(Cl)C=C1C(=O)C1=CC=CN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231273	1	45	-1.0	-42.53	387.97	6.29	-36.24
O=C(NC1=CC=C(Cl)C=C1C(=O)C1=CC=CN1)N1CCCC1C1=N[N-]N=N1	REAL300020231274	0	42	-1.0	-45.06	372.83	5.32	-39.74
O=C(NC1=CC=C(Cl)C=C1C(=O)C1=CC=CN1)N1CCCC1C1=NN=N[N-]1	REAL300020231274	1	42	-1.0	-45.01	372.88	5.35	-39.66
O=C(NC1=CC=C(Cl)C=C1C(=O)C1=CC=CN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231275	0	42	-1.0	-40.31	374.20	5.40	-34.91
O=C(NC1=CC=C(Cl)C=C1C(=O)C1=CC=CN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231275	1	42	-1.0	-40.33	374.27	5.41	-34.92
CCCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020231276	0	48	-1.0	-43.68	397.09	5.39	-38.29
CCCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020231276	1	48	-1.0	-43.68	397.14	5.41	-38.27
CCCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020231277	0	45	-1.0	-51.36	381.37	4.51	-46.85
CCCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020231277	1	45	-1.0	-51.36	381.43	4.53	-46.83
CCCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020231278	0	45	-1.0	-42.93	382.22	4.56	-38.37
CCCC(=O)NC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020231278	1	45	-1.0	-42.91	382.29	4.57	-38.34
O=C(NC1=CC=C2N=C(N3CCOCC3)OC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231279	0	50	-1.0	-45.59	395.78	1.04	-44.55
O=C(NC1=CC=C2N=C(N3CCOCC3)OC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231279	1	50	-1.0	-45.58	395.73	1.02	-44.56
O=C(NC1=CC=C2N=C(N3CCOCC3)OC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231280	0	47	-1.0	-62.25	380.35	0.12	-62.13
O=C(NC1=CC=C2N=C(N3CCOCC3)OC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231280	1	47	-1.0	-62.26	380.29	0.10	-62.16
O=C(NC1=CC=C2N=C(N3CCOCC3)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231281	0	47	-1.0	-49.58	381.86	0.17	-49.41
O=C(NC1=CC=C2N=C(N3CCOCC3)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231281	1	47	-1.0	-49.58	381.79	0.16	-49.42
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)CC1	REAL300020231282	0	60	0.0	-69.61	445.82	9.53	-60.08
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CC1	REAL300020231282	1	60	0.0	-69.63	445.87	9.55	-60.08
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)CC1	REAL300020231283	0	57	0.0	-84.60	431.34	8.60	-76.00
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)CC1	REAL300020231283	1	57	0.0	-84.58	431.40	8.62	-75.96
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020231284	0	57	0.0	-74.03	432.73	8.66	-65.37
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020231284	1	57	0.0	-73.97	432.80	8.67	-65.30
O=C(NC1=NN(C2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231285	0	41	-1.0	-49.31	357.91	5.49	-43.82
O=C(NC1=NN(C2=CC=CC=C2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231285	1	41	-1.0	-49.33	357.85	5.46	-43.87
O=C(NC1=NN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231286	0	41	-1.0	-44.74	338.70	5.00	-39.74
O=C(NC1=NN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231286	1	41	-1.0	-44.72	338.64	4.98	-39.74
O=C(NC1=NN(C2=CC=CC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231287	0	38	-1.0	-52.72	323.25	4.10	-48.62
O=C(NC1=NN(C2=CC=CC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231287	1	38	-1.0	-52.75	323.19	4.08	-48.67
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020231288	0	41	-1.0	-46.55	366.87	4.06	-42.49
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020231288	1	41	-1.0	-46.53	366.81	4.05	-42.48
O=C(NC1=NN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231289	0	38	-1.0	-43.51	324.72	4.16	-39.35
O=C(NC1=NN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231289	1	38	-1.0	-43.51	324.65	4.15	-39.36
O=C(NC1=NN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231290	0	44	-1.0	-50.48	346.75	5.90	-44.58
O=C(NC1=NN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231290	1	44	-1.0	-50.48	346.71	5.90	-44.58
O=C(NC1=CC=C(CC2NC(=O)NC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231291	0	47	-1.0	-49.33	385.34	1.13	-48.20
O=C(NC1=CC=C(CC2NC(=O)NC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231291	1	47	-1.0	-49.36	385.39	1.15	-48.21
O=C(NC1=CC=C(CC2NC(=O)NC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231292	0	44	-1.0	-57.44	369.17	0.29	-57.15
O=C(NC1=CC=C(CC2NC(=O)NC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231292	1	44	-1.0	-57.46	369.23	0.30	-57.16
O=C(NC1=CC=C(CC2NC(=O)NC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231293	0	44	-1.0	-50.62	370.50	0.35	-50.27
O=C(NC1=CC=C(CC2NC(=O)NC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231293	1	44	-1.0	-50.58	370.58	0.36	-50.22
O=C(NC1=CC=C(CC2NC(=O)NC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231294	0	50	-1.0	-55.59	390.00	2.17	-53.42
O=C(NC1=CC=C(CC2NC(=O)NC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231294	1	50	-1.0	-55.59	390.03	2.18	-53.41
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1S(C)(=O)=O	REAL300020231295	0	44	-1.0	-65.92	374.79	2.88	-63.04
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1S(C)(=O)=O	REAL300020231295	1	44	-1.0	-65.93	374.85	2.90	-63.03
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1S(C)(=O)=O	REAL300020231296	0	44	-1.0	-53.09	356.39	2.42	-50.67
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1S(C)(=O)=O	REAL300020231296	1	44	-1.0	-53.11	356.45	2.43	-50.68
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1S(C)(=O)=O	REAL300020231297	0	41	-1.0	-66.29	340.26	1.48	-64.81
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1S(C)(=O)=O	REAL300020231297	1	41	-1.0	-66.31	340.32	1.50	-64.81
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=O)=O)C(C)=C1)C1=N[N-]N=N1	REAL300020231298	0	44	-1.0	-53.17	384.46	1.48	-51.69
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=O)=O)C(C)=C1)C1=NN=N[N-]1	REAL300020231298	1	44	-1.0	-53.13	384.51	1.49	-51.64
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1S(C)(=O)=O	REAL300020231299	0	41	-1.0	-53.95	341.87	1.52	-52.43
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1S(C)(=O)=O	REAL300020231299	1	41	-1.0	-53.94	341.94	1.53	-52.41
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1S(C)(=O)=O	REAL300020231300	0	47	-1.0	-45.74	368.76	2.62	-43.12
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1S(C)(=O)=O	REAL300020231300	1	47	-1.0	-45.77	368.80	2.62	-43.15
O=C(NC1=CC=CC2=C1CN(C1=CC=CC=N1)C2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231301	0	50	-1.0	-48.42	394.61	6.14	-42.28
O=C(NC1=CC=CC2=C1CN(C1=CC=CC=N1)C2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231301	1	50	-1.0	-48.40	394.67	6.16	-42.24
O=C(NC1=CC=CC2=C1CN(C1=CC=CC=N1)C2)N1CCCC1C1=N[N-]N=N1	REAL300020231302	0	47	-1.0	-56.89	380.49	5.29	-51.60
O=C(NC1=CC=CC2=C1CN(C1=CC=CC=N1)C2)N1CCCC1C1=NN=N[N-]1	REAL300020231302	1	47	-1.0	-56.90	380.55	5.30	-51.60
O=C(NC1=CC=CC2=C1CN(C1=CC=CC=N1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020231303	0	47	-1.0	-46.56	381.92	5.34	-41.22
O=C(NC1=CC=CC2=C1CN(C1=CC=CC=N1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020231303	1	47	-1.0	-46.62	381.99	5.35	-41.27
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC2=NNC=C21	REAL300020231304	0	41	-1.0	-56.72	350.42	4.12	-52.60
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC2=NNC=C21	REAL300020231304	1	41	-1.0	-56.71	350.36	4.10	-52.61
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC2=NNC=C21	REAL300020231305	0	41	-1.0	-48.64	330.94	3.65	-44.99
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC2=NNC=C21	REAL300020231305	1	41	-1.0	-48.63	331.00	3.67	-44.96
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC2=NNC=C21	REAL300020231306	0	38	-1.0	-58.70	315.61	2.75	-55.95
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC2=NNC=C21	REAL300020231306	1	38	-1.0	-58.75	315.67	2.76	-55.99
CSCC[C@H](NC(=O)NC1=CC2=NNC=C2C(C)=C1)C1=N[N-]N=N1	REAL300020231307	0	41	-1.0	-52.56	359.17	2.70	-49.86
CSCC[C@H](NC(=O)NC1=CC2=NNC=C2C(C)=C1)C1=NN=N[N-]1	REAL300020231307	1	41	-1.0	-52.54	359.22	2.72	-49.82
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=NNC=C21	REAL300020231308	0	38	-1.0	-49.00	317.35	2.76	-46.24
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=NNC=C21	REAL300020231308	1	38	-1.0	-49.07	317.42	2.78	-46.29
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=NNC=C21	REAL300020231309	0	44	-1.0	-52.19	345.67	3.83	-48.36
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=NNC=C21	REAL300020231309	1	44	-1.0	-52.16	345.72	3.85	-48.31
CCC1=NOC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231310	0	40	-1.0	-42.49	337.27	4.16	-38.33
CCC1=NOC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231310	1	40	-1.0	-42.46	337.21	4.14	-38.32
CCC1=NOC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231311	0	40	-1.0	-43.56	327.83	3.95	-39.61
CCC1=NOC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231311	1	40	-1.0	-43.57	327.88	3.96	-39.61
CCC1=NOC(C)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231312	0	40	-1.0	-46.70	352.89	2.79	-43.91
CCC1=NOC(C)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231312	1	40	-1.0	-46.69	352.95	2.81	-43.88
CCC1=NOC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231313	0	43	-1.0	-49.07	329.47	4.63	-44.44
CCC1=NOC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231313	1	43	-1.0	-49.06	329.50	4.64	-44.42
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1CC(C)C	REAL300020231314	0	47	-1.0	-45.46	385.12	5.46	-40.00
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1CC(C)C	REAL300020231314	1	47	-1.0	-45.43	385.06	5.44	-39.99
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1CC(C)C	REAL300020231315	0	47	-1.0	-47.50	365.87	4.98	-42.52
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1CC(C)C	REAL300020231315	1	47	-1.0	-47.49	365.92	4.99	-42.50
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1CC(C)C	REAL300020231316	0	44	-1.0	-59.68	351.32	4.08	-55.60
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1CC(C)C	REAL300020231316	1	44	-1.0	-59.70	351.38	4.10	-55.60
CSCC[C@H](NC(=O)NC1=C(C)N(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300020231317	0	47	-1.0	-51.45	388.56	3.60	-47.85
CSCC[C@H](NC(=O)NC1=C(C)N(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300020231317	1	47	-1.0	-51.52	388.61	3.62	-47.90
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CC(C)C	REAL300020231318	0	44	-1.0	-48.16	345.09	3.61	-44.55
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CC(C)C	REAL300020231318	1	44	-1.0	-48.14	345.17	3.62	-44.52
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1CC(C)C	REAL300020231319	0	50	-1.0	-56.08	368.95	5.55	-50.53
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1CC(C)C	REAL300020231319	1	50	-1.0	-56.02	369.00	5.55	-50.47
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1S(=O)(=O)N(C)C	REAL300020231320	0	47	-1.0	-60.39	386.29	1.28	-59.11
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1S(=O)(=O)N(C)C	REAL300020231320	1	47	-1.0	-60.34	386.34	1.29	-59.05
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1S(=O)(=O)N(C)C	REAL300020231321	0	47	-1.0	-49.38	388.02	1.30	-48.08
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1S(=O)(=O)N(C)C	REAL300020231321	1	47	-1.0	-49.36	388.10	1.31	-48.05
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231322	0	41	-1.0	-47.77	363.45	6.35	-41.42
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231322	1	41	-1.0	-47.80	363.39	6.32	-41.48
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231323	0	41	-1.0	-49.64	344.30	5.87	-43.77
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231323	1	41	-1.0	-49.67	344.24	5.85	-43.82
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231324	0	38	-1.0	-58.36	328.83	4.95	-53.41
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231324	1	38	-1.0	-58.34	328.77	4.94	-53.40
CSCC[C@H](NC(=O)NC1=NN(C2=NC=CC=C2F)C=C1)C1=NN=N[N-]1	REAL300020231325	0	41	-1.0	-52.12	372.44	4.92	-47.20
CSCC[C@H](NC(=O)NC1=NN(C2=NC=CC=C2F)C=C1)C1=N[N-]N=N1	REAL300020231325	1	41	-1.0	-52.13	372.39	4.91	-47.22
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231326	0	38	-1.0	-48.47	330.30	5.01	-43.46
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231326	1	38	-1.0	-48.45	330.23	4.99	-43.46
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231327	0	44	-1.0	-55.02	352.25	6.75	-48.27
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231327	1	44	-1.0	-55.02	352.20	6.75	-48.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN=C1OCC(F)F	REAL300020231328	0	41	-1.0	-46.50	364.17	2.92	-43.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN=C1OCC(F)F	REAL300020231328	1	41	-1.0	-46.46	364.11	2.89	-43.57
O=C(NC1=CC=CN=C1OCC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231329	0	41	-1.0	-45.61	345.14	2.39	-43.22
O=C(NC1=CC=CN=C1OCC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231329	1	41	-1.0	-45.64	345.09	2.38	-43.26
O=C(NC1=CC=CN=C1OCC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020231330	0	38	-1.0	-55.08	329.08	1.49	-53.59
O=C(NC1=CC=CN=C1OCC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020231330	1	38	-1.0	-55.05	329.02	1.48	-53.57
CSCC[C@H](NC(=O)NC1=CC=CN=C1OCC(F)F)C1=NN=N[N-]1	REAL300020231331	0	41	-1.0	-48.24	372.60	1.45	-46.79
CSCC[C@H](NC(=O)NC1=CC=CN=C1OCC(F)F)C1=N[N-]N=N1	REAL300020231331	1	41	-1.0	-48.27	372.54	1.44	-46.83
O=C(NC1=CC=CN=C1OCC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020231332	0	38	-1.0	-45.45	331.23	1.56	-43.89
O=C(NC1=CC=CN=C1OCC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020231332	1	38	-1.0	-45.47	331.16	1.54	-43.93
O=C(NC1=CC=CN=C1OCC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020231333	0	44	-1.0	-49.12	351.20	3.29	-45.83
O=C(NC1=CC=CN=C1OCC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020231333	1	44	-1.0	-49.11	351.16	3.28	-45.83
CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020231334	0	44	-1.0	-48.81	361.51	6.67	-42.14
CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020231334	1	44	-1.0	-48.85	361.45	6.65	-42.20
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020231335	0	44	-1.0	-42.96	342.34	6.30	-36.66
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020231335	1	44	-1.0	-43.02	342.40	6.31	-36.71
CCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020231336	0	41	-1.0	-53.85	326.96	5.28	-48.57
CCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020231336	1	41	-1.0	-53.86	327.01	5.30	-48.56
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020231337	0	44	-1.0	-49.24	370.52	5.24	-44.00
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020231337	1	44	-1.0	-49.22	370.58	5.26	-43.96
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020231338	0	41	-1.0	-44.19	328.36	5.33	-38.86
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020231338	1	41	-1.0	-44.20	328.43	5.35	-38.85
CCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020231339	0	47	-1.0	-42.32	354.77	6.38	-35.94
CCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020231339	1	47	-1.0	-42.28	354.81	6.39	-35.89
CC1=CC(C(C)C)=CC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231340	0	50	-1.0	-44.00	400.32	8.20	-35.80
CC1=CC(C(C)C)=CC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231340	1	50	-1.0	-43.96	400.26	8.18	-35.78
CC1=CC(C(C)C)=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231341	0	50	-1.0	-42.72	384.18	7.84	-34.88
CC1=CC(C(C)C)=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231341	1	50	-1.0	-42.78	384.24	7.86	-34.92
CC1=CC(C(C)C)=CC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231342	0	47	-1.0	-52.62	365.19	6.61	-46.01
CC1=CC(C(C)C)=CC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231342	1	47	-1.0	-52.64	365.25	6.64	-46.00
CSCC[C@H](NC(=O)NC1=C(C)C=C(C(C)C)C=C1C)C1=N[N-]N=N1	REAL300020231343	0	50	-1.0	-46.06	408.73	6.58	-39.48
CSCC[C@H](NC(=O)NC1=C(C)C=C(C(C)C)C=C1C)C1=NN=N[N-]1	REAL300020231343	1	50	-1.0	-46.06	408.78	6.60	-39.46
CC1=CC(C(C)C)=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231344	0	47	-1.0	-43.96	373.75	7.15	-36.81
CC1=CC(C(C)C)=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231344	1	47	-1.0	-43.92	373.83	7.16	-36.76
CC1=CC(C(C)C)=CC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231345	0	53	-1.0	-48.62	389.93	8.55	-40.07
CC1=CC(C(C)C)=CC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231345	1	53	-1.0	-48.62	389.99	8.56	-40.06
CC1=NC2=CC=CC=C2C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020231346	0	43	-1.0	-46.18	363.22	5.99	-40.19
CC1=NC2=CC=CC=C2C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020231346	1	43	-1.0	-46.16	363.16	5.96	-40.20
CC1=NC2=CC=CC=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020231347	0	43	-1.0	-44.92	344.16	5.46	-39.46
CC1=NC2=CC=CC=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020231347	1	43	-1.0	-44.92	344.22	5.48	-39.44
CC1=NC2=CC=CC=C2C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020231348	0	40	-1.0	-54.45	327.94	4.51	-49.94
CC1=NC2=CC=CC=C2C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020231348	1	40	-1.0	-54.45	327.99	4.53	-49.92
CSCC[C@H](NC(=O)NC1=CC(C)=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020231349	0	43	-1.0	-48.41	372.39	4.52	-43.89
CSCC[C@H](NC(=O)NC1=CC(C)=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020231349	1	43	-1.0	-48.47	372.45	4.53	-43.94
CC1=NC2=CC=CC=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020231350	0	40	-1.0	-45.27	329.30	4.57	-40.70
CC1=NC2=CC=CC=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020231350	1	40	-1.0	-45.28	329.37	4.59	-40.69
CC1=NC2=CC=CC=C2C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020231351	0	46	-1.0	-51.35	349.97	6.28	-45.07
CC1=NC2=CC=CC=C2C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020231351	1	46	-1.0	-51.32	350.02	6.30	-45.02
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020231352	0	37	-1.0	-54.03	319.52	3.63	-50.40
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020231352	1	37	-1.0	-53.97	319.58	3.66	-50.31
CSCC[C@H](NC(=O)NC1=CC=NC(C)=C1)C1=N[N-]N=N1	REAL300020231353	0	37	-1.0	-46.10	328.54	2.22	-43.88
CSCC[C@H](NC(=O)NC1=CC=NC(C)=C1)C1=NN=N[N-]1	REAL300020231353	1	37	-1.0	-46.10	328.60	2.24	-43.86
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020231354	0	40	-1.0	-40.35	314.98	3.32	-37.03
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020231354	1	40	-1.0	-40.34	315.04	3.33	-37.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC(Cl)=C1	REAL300020231355	0	34	-1.0	-56.66	314.84	3.46	-53.20
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC(Cl)=C1	REAL300020231355	1	34	-1.0	-56.68	314.78	3.43	-53.25
O=C(NC1=CC=NC(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231356	0	34	-1.0	-41.98	295.87	2.95	-39.03
O=C(NC1=CC=NC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231356	1	34	-1.0	-41.94	295.81	2.94	-39.00
CSCC[C@H](NC(=O)NC1=CC=NC(Cl)=C1)C1=NN=N[N-]1	REAL300020231357	0	34	-1.0	-43.81	324.09	2.01	-41.80
CSCC[C@H](NC(=O)NC1=CC=NC(Cl)=C1)C1=N[N-]N=N1	REAL300020231357	1	34	-1.0	-43.82	324.04	1.99	-41.83
O=C(NC1=CC=NC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231358	0	37	-1.0	-38.62	310.31	3.13	-35.49
O=C(NC1=CC=NC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231358	1	37	-1.0	-38.63	310.25	3.11	-35.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC=C1[N+](=O)[O-]	REAL300020231359	0	36	-1.0	-40.42	320.97	3.99	-36.43
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC=C1[N+](=O)[O-]	REAL300020231359	1	36	-1.0	-40.43	320.91	3.97	-36.46
O=C(NC1=CC=NC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020231360	0	36	-1.0	-40.73	301.62	3.54	-37.19
O=C(NC1=CC=NC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020231360	1	36	-1.0	-40.77	301.56	3.53	-37.24
O=C(NC1=CC=NC=C1[N+](=O)[O-])N1CCCC1C1=NN=N[N-]1	REAL300020231361	0	33	-1.0	-48.15	286.42	2.60	-45.55
O=C(NC1=CC=NC=C1[N+](=O)[O-])N1CCCC1C1=N[N-]N=N1	REAL300020231361	1	33	-1.0	-48.16	286.37	2.57	-45.59
CSCC[C@H](NC(=O)NC1=CC=NC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020231362	0	36	-1.0	-44.07	330.87	2.60	-41.47
CSCC[C@H](NC(=O)NC1=CC=NC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020231362	1	36	-1.0	-44.08	330.81	2.58	-41.50
O=C(NC1=CC=NC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020231363	0	33	-1.0	-39.56	287.76	2.63	-36.93
O=C(NC1=CC=NC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020231363	1	33	-1.0	-39.59	287.69	2.62	-36.97
O=C(NC1=CC=NC=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020231364	0	39	-1.0	-44.99	310.25	4.46	-40.53
O=C(NC1=CC=NC=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020231364	1	39	-1.0	-44.98	310.20	4.46	-40.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC=C1Br	REAL300020231365	0	34	-1.0	-39.11	315.98	3.74	-35.37
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC=C1Br	REAL300020231365	1	34	-1.0	-39.11	315.92	3.71	-35.40
O=C(NC1=CC=NC=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231366	0	34	-1.0	-40.07	296.41	3.27	-36.80
O=C(NC1=CC=NC=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231366	1	34	-1.0	-40.10	296.35	3.25	-36.85
O=C(NC1=CC=NC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020231367	0	31	-1.0	-48.76	282.64	2.40	-46.36
O=C(NC1=CC=NC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020231367	1	31	-1.0	-48.80	282.58	2.38	-46.42
CSCC[C@H](NC(=O)NC1=CC=NC=C1Br)C1=NN=N[N-]1	REAL300020231368	0	34	-1.0	-42.59	326.31	2.35	-40.24
CSCC[C@H](NC(=O)NC1=CC=NC=C1Br)C1=N[N-]N=N1	REAL300020231368	1	34	-1.0	-42.56	326.25	2.34	-40.22
O=C(NC1=CC=NC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020231369	0	31	-1.0	-39.92	283.28	2.43	-37.49
O=C(NC1=CC=NC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020231369	1	31	-1.0	-39.93	283.21	2.41	-37.52
O=C(NC1=CC=NC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020231370	0	37	-1.0	-45.71	305.70	4.26	-41.45
O=C(NC1=CC=NC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020231370	1	37	-1.0	-45.69	305.65	4.25	-41.44
CC1=CN=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231371	0	37	-1.0	-42.01	315.86	3.89	-38.12
CC1=CN=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231371	1	37	-1.0	-42.00	315.80	3.87	-38.13
CSCC[C@H](NC(=O)NC1=CC=NC=C1C)C1=N[N-]N=N1	REAL300020231372	0	37	-1.0	-46.08	325.95	2.45	-43.63
CSCC[C@H](NC(=O)NC1=CC=NC=C1C)C1=NN=N[N-]1	REAL300020231372	1	37	-1.0	-46.09	326.00	2.47	-43.62
CC1=CN=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231373	0	40	-1.0	-49.91	305.24	4.35	-45.56
CC1=CN=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231373	1	40	-1.0	-49.86	305.29	4.35	-45.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC(C2=CC=CC=C2)=C1	REAL300020231374	0	44	-1.0	-44.75	374.87	6.68	-38.07
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC(C2=CC=CC=C2)=C1	REAL300020231374	1	44	-1.0	-44.67	374.81	6.65	-38.02
O=C(NC1=CC=NC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231375	0	44	-1.0	-43.99	354.58	6.23	-37.76
O=C(NC1=CC=NC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231375	1	44	-1.0	-43.96	354.52	6.22	-37.74
O=C(NC1=CC=NC(C2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231376	0	41	-1.0	-54.74	340.32	5.30	-49.44
O=C(NC1=CC=NC(C2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231376	1	41	-1.0	-54.72	340.26	5.28	-49.44
CSCC[C@H](NC(=O)NC1=CC=NC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020231377	0	44	-1.0	-48.27	384.07	5.22	-43.05
CSCC[C@H](NC(=O)NC1=CC=NC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020231377	1	44	-1.0	-48.25	384.02	5.21	-43.04
O=C(NC1=CC=NC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231378	0	41	-1.0	-47.00	341.95	5.35	-41.65
O=C(NC1=CC=NC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231378	1	41	-1.0	-47.01	341.88	5.33	-41.68
O=C(NC1=CC=NC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231379	0	47	-1.0	-42.85	368.56	6.35	-36.50
O=C(NC1=CC=NC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231379	1	47	-1.0	-42.83	368.52	6.34	-36.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC=C1F	REAL300020231380	0	34	-1.0	-39.62	302.80	3.13	-36.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC=C1F	REAL300020231380	1	34	-1.0	-39.60	302.74	3.11	-36.49
CSCC[C@H](NC(=O)NC1=CC=NC=C1F)C1=NN=N[N-]1	REAL300020231381	0	34	-1.0	-42.86	313.00	1.71	-41.15
CSCC[C@H](NC(=O)NC1=CC=NC=C1F)C1=N[N-]N=N1	REAL300020231381	1	34	-1.0	-42.85	312.95	1.70	-41.15
O=C(NC1=CC=NC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020231382	0	37	-1.0	-46.06	292.50	3.63	-42.43
O=C(NC1=CC=NC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020231382	1	37	-1.0	-45.97	292.45	3.63	-42.34
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)C=N1	REAL300020231383	0	40	-1.0	-49.49	338.38	4.53	-44.96
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)C=N1	REAL300020231383	1	40	-1.0	-49.50	338.44	4.55	-44.95
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)C=N1	REAL300020231384	0	40	-1.0	-43.75	317.09	3.93	-39.82
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)C=N1	REAL300020231384	1	40	-1.0	-43.77	317.15	3.95	-39.82
CSCC[C@H](NC(=O)NC1=CC(C)=NC=C1C)C1=N[N-]N=N1	REAL300020231385	0	40	-1.0	-46.50	347.56	3.06	-43.44
CSCC[C@H](NC(=O)NC1=CC(C)=NC=C1C)C1=NN=N[N-]1	REAL300020231385	1	40	-1.0	-46.48	347.62	3.08	-43.40
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)C=N1	REAL300020231386	0	43	-1.0	-49.65	325.96	4.82	-44.83
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)C=N1	REAL300020231386	1	43	-1.0	-49.68	326.02	4.83	-44.85
CCOC(=O)C1=CN=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020231387	0	46	-1.0	-46.19	393.59	5.50	-40.69
CCOC(=O)C1=CN=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020231387	1	46	-1.0	-46.27	393.53	5.48	-40.79
CCOC(=O)C1=CN=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020231388	0	46	-1.0	-47.77	372.19	4.87	-42.90
CCOC(=O)C1=CN=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020231388	1	46	-1.0	-47.79	372.24	4.88	-42.91
CCOC(=O)C1=CN=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020231389	0	43	-1.0	-58.35	358.34	4.01	-54.34
CCOC(=O)C1=CN=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020231389	1	43	-1.0	-58.29	358.40	4.02	-54.27
CCOC(=O)C1=CN=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020231390	0	46	-1.0	-50.65	401.73	3.96	-46.69
CCOC(=O)C1=CN=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020231390	1	46	-1.0	-50.64	401.79	3.98	-46.66
CCOC(=O)C1=CN=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020231391	0	43	-1.0	-49.43	359.59	4.07	-45.36
CCOC(=O)C1=CN=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020231391	1	43	-1.0	-49.43	359.66	4.08	-45.35
CCOC(=O)C1=CN=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020231392	0	49	-1.0	-54.50	381.30	5.77	-48.73
CCOC(=O)C1=CN=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020231392	1	49	-1.0	-54.49	381.36	5.78	-48.71
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020231393	0	50	-1.0	-43.01	399.36	7.11	-35.90
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020231393	1	50	-1.0	-43.02	399.42	7.13	-35.89
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020231394	0	47	-1.0	-49.03	383.94	6.20	-42.83
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020231394	1	47	-1.0	-49.06	384.00	6.23	-42.83
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020231395	0	47	-1.0	-41.90	384.48	6.26	-35.64
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020231395	1	47	-1.0	-41.91	384.56	6.27	-35.64
CCOC(=O)C1=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2S1	REAL300020231396	0	44	-1.0	-52.53	383.65	6.40	-46.13
CCOC(=O)C1=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2S1	REAL300020231396	1	44	-1.0	-52.52	383.71	6.42	-46.10
CCOC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2S1	REAL300020231397	0	44	-1.0	-44.42	384.77	6.50	-37.92
CCOC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2S1	REAL300020231397	1	44	-1.0	-44.40	384.85	6.50	-37.90
COC1=CC(NC(C)=O)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231398	0	46	-1.0	-49.97	387.13	3.10	-46.87
COC1=CC(NC(C)=O)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231398	1	46	-1.0	-49.97	387.07	3.07	-46.90
COC1=CC(NC(C)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231399	0	46	-1.0	-52.86	369.14	2.58	-50.28
COC1=CC(NC(C)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231399	1	46	-1.0	-52.85	369.20	2.59	-50.26
COC1=CC(NC(C)=O)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231400	0	43	-1.0	-65.82	353.14	1.69	-64.13
COC1=CC(NC(C)=O)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231400	1	43	-1.0	-65.85	353.20	1.72	-64.13
COC1=CC(NC(C)=O)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231401	0	46	-1.0	-58.04	396.68	1.66	-56.38
COC1=CC(NC(C)=O)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231401	1	46	-1.0	-58.00	396.73	1.68	-56.32
COC1=CC(NC(C)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231402	0	43	-1.0	-53.47	354.28	1.74	-51.73
COC1=CC(NC(C)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231402	1	43	-1.0	-53.48	354.35	1.75	-51.73
COC1=CC(NC(C)=O)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231403	0	49	-1.0	-51.91	376.49	3.00	-48.91
COC1=CC(NC(C)=O)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231403	1	49	-1.0	-51.91	376.50	3.00	-48.91
CC1=CN(C2=CC=C(C)C=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020231404	0	48	-1.0	-55.25	399.08	8.03	-47.22
CC1=CN(C2=CC=C(C)C=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020231404	1	48	-1.0	-55.27	399.03	8.01	-47.26
CC1=CN(C2=CC=C(C)C=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020231405	0	48	-1.0	-47.31	380.35	7.56	-39.75
CC1=CN(C2=CC=C(C)C=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020231405	1	48	-1.0	-47.26	380.29	7.55	-39.71
CC1=CN(C2=CC=C(C)C=C2NC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL300020231406	0	45	-1.0	-59.12	364.31	6.61	-52.51
CC1=CN(C2=CC=C(C)C=C2NC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL300020231406	1	45	-1.0	-59.11	364.26	6.58	-52.53
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1N1C=C(C)C=N1)C1=NN=N[N-]1	REAL300020231407	0	48	-1.0	-52.12	409.66	6.63	-45.49
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1N1C=C(C)C=N1)C1=N[N-]N=N1	REAL300020231407	1	48	-1.0	-52.13	409.61	6.62	-45.51
CC1=CN(C2=CC=C(C)C=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020231408	0	45	-1.0	-47.46	366.85	6.70	-40.76
CC1=CN(C2=CC=C(C)C=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020231408	1	45	-1.0	-47.40	366.78	6.69	-40.71
CC1=CN(C2=CC=C(C)C=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020231409	0	51	-1.0	-54.78	389.04	8.44	-46.34
CC1=CN(C2=CC=C(C)C=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020231409	1	51	-1.0	-54.74	389.00	8.43	-46.31
CCC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020231410	0	37	-1.0	-40.93	328.99	3.41	-37.52
CCC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020231410	1	37	-1.0	-40.93	328.93	3.39	-37.54
CCC1=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020231410	1	36	-2.0	-82.71	327.39	2.33	-80.38
CCC1=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020231410	1	36	-2.0	-82.71	327.34	2.30	-80.41
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=N1	REAL300020231411	0	37	-1.0	-42.12	309.74	2.94	-39.18
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=N1	REAL300020231411	1	37	-1.0	-42.16	309.80	2.96	-39.20
CCC1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC=N1	REAL300020231412	0	37	-1.0	-44.20	337.91	1.97	-42.23
CCC1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC=N1	REAL300020231412	1	37	-1.0	-44.23	337.97	1.99	-42.24
CCC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020231413	0	40	-1.0	-46.84	318.30	3.93	-42.91
CCC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020231413	1	40	-1.0	-46.83	318.35	3.94	-42.89
O=C(NC1=CC=C(Br)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231414	0	35	-1.0	-42.60	320.18	5.35	-37.25
O=C(NC1=CC=C(Br)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231414	1	35	-1.0	-42.61	320.24	5.37	-37.24
O=C(NC1=CC=C(Br)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231415	0	32	-1.0	-55.03	304.62	4.47	-50.56
O=C(NC1=CC=C(Br)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231415	1	32	-1.0	-55.04	304.68	4.49	-50.55
O=C(NC1=CC=C(Br)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231416	0	32	-1.0	-44.38	305.99	4.53	-39.85
O=C(NC1=CC=C(Br)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231416	1	32	-1.0	-44.41	306.07	4.53	-39.88
O=C(NC1=CC=C(Br)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231417	0	38	-1.0	-37.32	334.65	5.54	-31.78
O=C(NC1=CC=C(Br)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231417	1	38	-1.0	-37.32	334.70	5.57	-31.75
CCC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020231418	0	43	-1.0	-51.87	366.29	6.07	-45.80
CCC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020231418	1	43	-1.0	-51.79	366.24	6.05	-45.74
CCC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020231419	0	43	-1.0	-46.69	345.95	5.61	-41.08
CCC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020231419	1	43	-1.0	-46.72	346.01	5.62	-41.10
CCC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020231420	0	40	-1.0	-71.77	331.60	4.67	-67.10
CCC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020231420	1	40	-1.0	-71.80	331.66	4.69	-67.11
CCC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020231421	0	43	-1.0	-63.67	375.40	4.60	-59.07
CCC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020231421	1	43	-1.0	-63.73	375.45	4.62	-59.11
CCC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020231422	0	40	-1.0	-55.10	332.96	4.73	-50.37
CCC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020231422	1	40	-1.0	-55.11	333.03	4.73	-50.38
CCC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020231423	0	46	-1.0	-49.11	361.60	5.74	-43.37
CCC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020231423	1	46	-1.0	-49.11	361.64	5.77	-43.34
CC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C#N	REAL300020231424	0	46	-1.0	-43.48	392.61	6.05	-37.43
CC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C#N	REAL300020231424	1	46	-1.0	-43.45	392.55	6.03	-37.42
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C#N	REAL300020231425	0	46	-1.0	-44.07	373.61	5.54	-38.53
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C#N	REAL300020231425	1	46	-1.0	-44.07	373.66	5.55	-38.52
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C#N	REAL300020231426	0	43	-1.0	-51.62	358.22	4.64	-46.98
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C#N	REAL300020231426	1	43	-1.0	-51.63	358.28	4.65	-46.98
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C(C#N)=C1)C1=N[N-]N=N1	REAL300020231427	0	46	-1.0	-51.09	401.70	4.59	-46.50
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C(C#N)=C1)C1=NN=N[N-]1	REAL300020231427	1	46	-1.0	-51.10	401.75	4.61	-46.49
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C#N	REAL300020231428	0	43	-1.0	-44.17	359.64	4.70	-39.47
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C#N	REAL300020231428	1	43	-1.0	-44.13	359.72	4.70	-39.43
CC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C#N	REAL300020231429	0	49	-1.0	-40.00	386.05	5.72	-34.28
CC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C#N	REAL300020231429	1	49	-1.0	-41.91	386.06	5.73	-36.18
COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231430	0	49	-1.0	-44.50	392.98	4.51	-39.99
COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231430	1	49	-1.0	-44.42	393.03	4.53	-39.89
COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231431	0	46	-1.0	-54.47	376.44	3.60	-50.87
COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231431	1	46	-1.0	-54.41	376.50	3.62	-50.79
COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231432	0	46	-1.0	-43.79	377.80	3.66	-40.13
COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231432	1	46	-1.0	-43.77	377.87	3.67	-40.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN=C1C1=CC=CC=C1	REAL300020231433	0	44	-1.0	-44.12	373.75	7.23	-36.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN=C1C1=CC=CC=C1	REAL300020231433	1	44	-1.0	-44.09	373.69	7.21	-36.88
O=C(NC1=CC=CN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231434	0	44	-1.0	-43.64	353.14	6.70	-36.94
O=C(NC1=CC=CN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231434	1	44	-1.0	-43.62	353.09	6.68	-36.94
O=C(NC1=CC=CN=C1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231435	0	41	-1.0	-53.50	339.47	5.81	-47.69
O=C(NC1=CC=CN=C1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231435	1	41	-1.0	-53.51	339.41	5.80	-47.71
CSCC[C@H](NC(=O)NC1=CC=CN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020231436	0	44	-1.0	-45.89	381.27	5.66	-40.23
CSCC[C@H](NC(=O)NC1=CC=CN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020231436	1	44	-1.0	-45.88	381.21	5.64	-40.24
O=C(NC1=CC=CN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231437	0	41	-1.0	-42.87	339.12	5.75	-37.12
O=C(NC1=CC=CN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231437	1	41	-1.0	-42.83	339.04	5.74	-37.09
O=C(NC1=CC=CN=C1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231438	0	47	-1.0	-48.97	357.65	7.69	-41.28
O=C(NC1=CC=CN=C1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231438	1	47	-1.0	-48.95	357.62	7.68	-41.27
O=C(NC1=CC=C(SC2CCCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231439	0	49	-1.0	-55.55	404.59	8.38	-47.17
O=C(NC1=CC=C(SC2CCCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231439	1	49	-1.0	-55.51	404.65	8.41	-47.10
O=C(NC1=CC=C(SC2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231440	0	49	-1.0	-44.23	385.61	7.93	-36.30
O=C(NC1=CC=C(SC2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231440	1	49	-1.0	-44.25	385.66	7.95	-36.30
O=C(NC1=CC=C(SC2CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231441	0	46	-1.0	-52.44	370.76	7.04	-45.40
O=C(NC1=CC=C(SC2CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231441	1	46	-1.0	-52.47	370.82	7.06	-45.41
CSCC[C@H](NC(=O)NC1=CC=C(SC2CCCC2)C=C1)C1=N[N-]N=N1	REAL300020231442	0	49	-1.0	-49.12	414.29	6.99	-42.13
CSCC[C@H](NC(=O)NC1=CC=C(SC2CCCC2)C=C1)C1=NN=N[N-]1	REAL300020231442	1	49	-1.0	-49.12	414.35	7.01	-42.11
O=C(NC1=CC=C(SC2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231443	0	46	-1.0	-43.38	372.13	7.10	-36.28
O=C(NC1=CC=C(SC2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231443	1	46	-1.0	-43.42	372.20	7.10	-36.32
O=C(NC1=CC=C(SC2CCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231444	0	52	-1.0	-49.07	393.39	8.85	-40.22
O=C(NC1=CC=C(SC2CCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231444	1	52	-1.0	-49.02	393.44	8.85	-40.17
COC(=O)C1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231445	0	41	-1.0	-53.98	359.21	5.85	-48.13
COC(=O)C1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231445	1	41	-1.0	-53.97	359.15	5.83	-48.14
COC(=O)C1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231446	0	41	-1.0	-44.21	340.79	5.35	-38.86
COC(=O)C1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231446	1	41	-1.0	-44.28	340.84	5.36	-38.92
COC(=O)C1=CC=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231447	0	38	-1.0	-54.34	324.12	4.40	-49.94
COC(=O)C1=CC=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231447	1	38	-1.0	-54.30	324.18	4.43	-49.87
COC(=O)C1=CC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231448	0	41	-1.0	-48.49	367.79	4.39	-44.10
COC(=O)C1=CC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231448	1	41	-1.0	-48.47	367.85	4.40	-44.07
COC(=O)C1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231449	0	38	-1.0	-44.32	326.60	4.53	-39.79
COC(=O)C1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231449	1	38	-1.0	-44.25	326.67	4.55	-39.70
COC(=O)C1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231450	0	44	-1.0	-50.73	348.87	6.27	-44.46
COC(=O)C1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231450	1	44	-1.0	-50.78	348.93	6.28	-44.50
CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(=O)OC)=C1	REAL300020231451	0	47	-1.0	-42.89	395.69	7.21	-35.68
CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(=O)OC)=C1	REAL300020231451	1	47	-1.0	-42.85	395.63	7.19	-35.66
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(=O)OC)=C1	REAL300020231452	0	47	-1.0	-43.57	376.88	6.76	-36.81
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(=O)OC)=C1	REAL300020231452	1	47	-1.0	-43.53	376.93	6.78	-36.75
CCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(=O)OC)=C1	REAL300020231453	0	44	-1.0	-53.46	360.59	5.75	-47.71
CCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(=O)OC)=C1	REAL300020231453	1	44	-1.0	-53.46	360.65	5.78	-47.68
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C(=O)OC)=C1	REAL300020231454	0	47	-1.0	-46.98	405.27	5.82	-41.16
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C(=O)OC)=C1	REAL300020231454	1	47	-1.0	-47.00	405.33	5.83	-41.17
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(=O)OC)=C1	REAL300020231455	0	44	-1.0	-43.79	363.34	5.84	-37.95
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(=O)OC)=C1	REAL300020231455	1	44	-1.0	-43.82	363.41	5.85	-37.97
CCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(=O)OC)=C1	REAL300020231456	0	50	-1.0	-48.70	390.56	6.84	-41.86
CCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(=O)OC)=C1	REAL300020231456	1	50	-1.0	-48.71	390.59	6.84	-41.87
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231457	0	50	-1.0	-42.50	412.94	7.69	-34.81
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231457	1	50	-1.0	-42.50	412.88	7.66	-34.84
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231458	0	50	-1.0	-43.31	394.12	7.24	-36.07
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231458	1	50	-1.0	-43.27	394.18	7.25	-36.02
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231459	0	47	-1.0	-53.35	377.84	6.23	-47.12
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231459	1	47	-1.0	-53.33	377.90	6.25	-47.08
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231460	0	50	-1.0	-46.77	422.52	6.29	-40.48
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231460	1	50	-1.0	-46.81	422.58	6.31	-40.50
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231461	0	47	-1.0	-43.35	380.33	6.37	-36.98
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231461	1	47	-1.0	-43.36	380.40	6.38	-36.98
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231462	0	53	-1.0	-48.39	407.83	7.32	-41.07
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231462	1	53	-1.0	-48.39	407.86	7.32	-41.07
COC(=O)C1=CC=C(OC)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231463	0	45	-1.0	-56.54	382.20	5.10	-51.44
COC(=O)C1=CC=C(OC)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231463	1	45	-1.0	-56.52	382.14	5.08	-51.44
COC(=O)C1=CC=C(OC)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231464	0	45	-1.0	-46.91	363.77	4.59	-42.32
COC(=O)C1=CC=C(OC)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231464	1	45	-1.0	-46.97	363.83	4.61	-42.36
COC(=O)C1=CC=C(OC)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231465	0	42	-1.0	-57.74	347.11	3.65	-54.09
COC(=O)C1=CC=C(OC)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231465	1	42	-1.0	-57.75	347.16	3.67	-54.08
COC(=O)C1=CC=C(OC)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231466	0	45	-1.0	-51.19	391.58	3.67	-47.52
COC(=O)C1=CC=C(OC)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231466	1	45	-1.0	-51.17	391.63	3.69	-47.48
COC(=O)C1=CC=C(OC)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231467	0	42	-1.0	-47.04	349.58	3.78	-43.26
COC(=O)C1=CC=C(OC)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231467	1	42	-1.0	-47.03	349.66	3.79	-43.24
COC(=O)C1=CC=C(OC)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231468	0	48	-1.0	-54.07	371.87	5.52	-48.55
COC(=O)C1=CC=C(OC)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231468	1	48	-1.0	-54.06	371.92	5.52	-48.54
COC(=O)C1=CC(C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231469	0	44	-1.0	-43.20	374.21	6.45	-36.75
COC(=O)C1=CC(C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231469	1	44	-1.0	-43.19	374.15	6.42	-36.77
COC(=O)C1=CC(C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231470	0	44	-1.0	-43.59	355.56	5.99	-37.60
COC(=O)C1=CC(C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231470	1	44	-1.0	-43.53	355.61	6.01	-37.52
COC(=O)C1=CC(C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231471	0	41	-1.0	-53.96	339.10	4.99	-48.97
COC(=O)C1=CC(C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231471	1	41	-1.0	-53.96	339.16	5.01	-48.95
COC(=O)C1=CC(C)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231472	0	44	-1.0	-47.20	382.79	4.98	-42.22
COC(=O)C1=CC(C)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231472	1	44	-1.0	-47.18	382.85	5.00	-42.18
COC(=O)C1=CC(C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231473	0	41	-1.0	-43.98	341.59	5.13	-38.85
COC(=O)C1=CC(C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231473	1	41	-1.0	-43.97	341.66	5.14	-38.83
COC(=O)C1=CC(C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231474	0	47	-1.0	-50.51	363.02	6.91	-43.60
COC(=O)C1=CC(C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231474	1	47	-1.0	-50.44	363.07	6.92	-43.52
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Br)=N1	REAL300020231475	0	37	-1.0	-46.88	338.62	4.31	-42.57
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Br)=N1	REAL300020231475	1	37	-1.0	-46.92	338.68	4.34	-42.58
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=N1	REAL300020231476	0	37	-1.0	-41.15	317.67	3.76	-37.39
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Br)=N1	REAL300020231476	1	37	-1.0	-41.15	317.73	3.78	-37.37
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=N1	REAL300020231477	0	34	-1.0	-49.73	303.40	2.88	-46.85
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=N1	REAL300020231477	1	34	-1.0	-49.77	303.46	2.90	-46.87
CSCC[C@H](NC(=O)NC1=CC=C(C)N=C1Br)C1=N[N-]N=N1	REAL300020231478	0	37	-1.0	-43.24	346.92	2.84	-40.40
CSCC[C@H](NC(=O)NC1=CC=C(C)N=C1Br)C1=NN=N[N-]1	REAL300020231478	1	37	-1.0	-43.29	346.98	2.85	-40.44
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=N1	REAL300020231479	0	34	-1.0	-41.02	304.75	2.94	-38.08
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=N1	REAL300020231479	1	34	-1.0	-41.00	304.83	2.95	-38.05
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=N1	REAL300020231480	0	40	-1.0	-42.21	329.42	3.98	-38.23
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=N1	REAL300020231480	1	40	-1.0	-42.25	329.46	3.98	-38.27
CC(C)OC1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231481	0	42	-1.0	-54.24	359.03	5.02	-49.22
CC(C)OC1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231481	1	42	-1.0	-54.24	359.09	5.04	-49.20
CC(C)OC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231482	0	42	-1.0	-44.05	360.54	5.07	-38.98
CC(C)OC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231482	1	42	-1.0	-44.03	360.61	5.08	-38.95
CCCN(C(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020231483	0	57	-1.0	-46.15	435.18	7.41	-38.74
CCCN(C(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C	REAL300020231483	1	57	-1.0	-46.19	435.24	7.42	-38.77
CCCN(C(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C(C)C	REAL300020231484	0	54	-1.0	-60.02	417.04	6.55	-53.47
CCCN(C(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C(C)C	REAL300020231484	1	54	-1.0	-60.03	417.10	6.57	-53.46
CCCN(C(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020231485	0	54	-1.0	-46.71	418.34	6.60	-40.11
CCCN(C(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020231485	1	54	-1.0	-46.73	418.41	6.62	-40.11
CS(=O)(=O)CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020231486	0	47	-1.0	-53.21	390.79	3.28	-49.93
CS(=O)(=O)CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020231486	1	47	-1.0	-53.27	390.85	3.29	-49.98
CS(=O)(=O)CCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020231487	0	44	-1.0	-64.36	374.99	2.39	-61.97
CS(=O)(=O)CCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020231487	1	44	-1.0	-64.39	375.05	2.40	-61.99
CSCC[C@H](NC(=O)NC1=CC=C(CCS(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020231488	0	47	-1.0	-58.07	418.81	2.33	-55.74
CSCC[C@H](NC(=O)NC1=CC=C(CCS(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020231488	1	47	-1.0	-58.03	418.87	2.35	-55.68
CS(=O)(=O)CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020231489	0	44	-1.0	-54.04	376.40	2.44	-51.60
CS(=O)(=O)CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020231489	1	44	-1.0	-54.03	376.47	2.44	-51.59
CS(=O)(=O)CCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020231490	0	50	-1.0	-55.31	398.57	4.20	-51.11
CS(=O)(=O)CCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020231490	1	50	-1.0	-55.32	398.62	4.20	-51.12
COC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020231491	0	45	-1.0	-53.80	385.94	5.73	-48.07
COC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020231491	1	45	-1.0	-53.78	386.00	5.75	-48.03
COC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020231492	0	42	-1.0	-66.76	370.36	4.84	-61.92
COC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020231492	1	42	-1.0	-66.80	370.42	4.86	-61.94
COC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020231493	0	42	-1.0	-54.33	371.77	4.90	-49.43
COC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020231493	1	42	-1.0	-54.34	371.85	4.91	-49.43
CCC1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020231494	0	39	-1.0	-42.73	336.29	3.36	-39.37
CCC1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020231494	1	39	-1.0	-42.78	336.23	3.33	-39.45
CCC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020231495	0	39	-1.0	-44.59	317.08	2.87	-41.72
CCC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020231495	1	39	-1.0	-44.57	317.14	2.89	-41.68
CCC1=NC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020231496	0	39	-1.0	-48.22	345.28	1.93	-46.29
CCC1=NC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020231496	1	39	-1.0	-48.20	345.33	1.94	-46.26
CCC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020231497	0	42	-1.0	-39.99	329.98	3.03	-36.96
CCC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020231497	1	42	-1.0	-39.95	330.02	3.03	-36.92
CC1=CSC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231498	0	35	-1.0	-41.33	310.81	4.52	-36.81
CC1=CSC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231498	1	35	-1.0	-41.37	310.75	4.49	-36.88
CSCC[C@H](NC(=O)NC1=CSC=C1C)C1=N[N-]N=N1	REAL300020231499	0	35	-1.0	-46.59	319.57	3.05	-43.54
CSCC[C@H](NC(=O)NC1=CSC=C1C)C1=NN=N[N-]1	REAL300020231499	1	35	-1.0	-46.63	319.62	3.07	-43.56
CC1=CSC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231500	0	38	-1.0	-40.03	304.35	4.19	-35.84
CC1=CSC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231500	1	38	-1.0	-40.05	304.38	4.19	-35.86
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=CC=C1	REAL300020231501	0	45	-1.0	-46.33	380.06	6.45	-39.88
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=CC=C1	REAL300020231501	1	45	-1.0	-46.32	380.01	6.42	-39.90
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC=C1	REAL300020231502	0	45	-1.0	-48.05	361.31	5.95	-42.10
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC=C1	REAL300020231502	1	45	-1.0	-48.04	361.37	5.96	-42.08
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020231503	0	42	-1.0	-60.31	345.37	5.03	-55.28
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020231503	1	42	-1.0	-60.35	345.43	5.05	-55.30
CSCC[C@H](NC(=O)NC1=C(C)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020231504	0	45	-1.0	-52.55	388.98	5.01	-47.54
CSCC[C@H](NC(=O)NC1=C(C)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020231504	1	45	-1.0	-52.54	389.04	5.02	-47.52
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020231505	0	42	-1.0	-48.79	346.83	5.08	-43.71
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020231505	1	42	-1.0	-48.77	346.91	5.10	-43.67
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020231506	0	48	-1.0	-57.46	369.59	6.95	-50.51
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020231506	1	48	-1.0	-57.52	369.64	6.96	-50.56
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=CC=C1F	REAL300020231507	0	45	-1.0	-50.16	386.84	6.60	-43.56
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=CC=C1F	REAL300020231507	1	45	-1.0	-50.15	386.78	6.58	-43.57
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC=C1F	REAL300020231508	0	45	-1.0	-51.20	368.45	6.07	-45.13
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC=C1F	REAL300020231508	1	45	-1.0	-51.21	368.51	6.09	-45.12
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1F	REAL300020231509	0	42	-1.0	-63.94	352.09	5.19	-58.75
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1F	REAL300020231509	1	42	-1.0	-63.95	352.15	5.21	-58.74
CSCC[C@H](NC(=O)NC1=C(C)N(C2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL300020231510	0	45	-1.0	-57.26	395.71	5.16	-52.10
CSCC[C@H](NC(=O)NC1=C(C)N(C2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL300020231510	1	45	-1.0	-57.26	395.76	5.18	-52.08
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1F	REAL300020231511	0	42	-1.0	-52.76	353.67	5.24	-47.52
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1F	REAL300020231511	1	42	-1.0	-52.78	353.75	5.25	-47.53
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=CC=C1F	REAL300020231512	0	48	-1.0	-62.60	376.69	7.11	-55.49
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=CC=C1F	REAL300020231512	1	48	-1.0	-62.60	376.74	7.11	-55.49
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC(C)=CC=C1C	REAL300020231513	0	51	-1.0	-47.20	400.03	7.49	-39.71
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC(C)=CC=C1C	REAL300020231513	1	51	-1.0	-47.20	400.09	7.51	-39.69
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1C	REAL300020231514	0	48	-1.0	-58.89	385.05	6.58	-52.31
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1C	REAL300020231514	1	48	-1.0	-58.84	385.11	6.60	-52.24
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC(C)=CC=C1C	REAL300020231515	0	48	-1.0	-47.90	386.32	6.62	-41.28
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC(C)=CC=C1C	REAL300020231515	1	48	-1.0	-47.89	386.40	6.64	-41.25
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1C	REAL300020231516	0	54	-1.0	-55.99	407.56	8.48	-47.51
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1C	REAL300020231516	1	54	-1.0	-55.99	407.61	8.50	-47.49
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC(Cl)=C1	REAL300020231517	0	45	-1.0	-49.04	376.37	6.43	-42.61
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC(Cl)=C1	REAL300020231517	1	45	-1.0	-49.04	376.43	6.45	-42.59
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC(Cl)=C1	REAL300020231518	0	42	-1.0	-60.81	362.11	5.55	-55.26
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300020231518	1	42	-1.0	-60.84	362.17	5.58	-55.26
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020231519	0	42	-1.0	-49.14	363.57	5.60	-43.54
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020231519	1	42	-1.0	-49.19	363.64	5.62	-43.57
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231520	0	41	-1.0	-46.40	365.70	5.02	-41.38
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231520	1	41	-1.0	-46.37	365.65	4.99	-41.38
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231521	0	41	-1.0	-48.18	346.96	4.49	-43.69
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231521	1	41	-1.0	-48.16	346.90	4.47	-43.69
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020231522	0	38	-1.0	-59.81	331.38	3.60	-56.21
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020231522	1	38	-1.0	-59.82	331.33	3.58	-56.24
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C=NN2C(F)F)C1=NN=N[N-]1	REAL300020231523	0	41	-1.0	-49.43	371.74	3.39	-46.04
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C=NN2C(F)F)C1=N[N-]N=N1	REAL300020231523	1	41	-1.0	-49.46	371.69	3.38	-46.08
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020231524	0	38	-1.0	-47.29	329.32	3.51	-43.78
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020231524	1	38	-1.0	-47.26	329.24	3.49	-43.77
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020231525	0	44	-1.0	-42.75	359.45	4.64	-38.11
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020231525	1	44	-1.0	-42.75	359.38	4.63	-38.12
CCCCN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020231526	0	47	-1.0	-45.56	388.27	5.46	-40.10
CCCCN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020231526	1	47	-1.0	-45.55	388.21	5.43	-40.12
CCCCN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020231527	0	47	-1.0	-47.06	369.93	5.01	-42.05
CCCCN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020231527	1	47	-1.0	-47.09	369.99	5.03	-42.06
CCCCN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020231528	0	44	-1.0	-59.22	353.58	4.05	-55.17
CCCCN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020231528	1	44	-1.0	-59.25	353.64	4.08	-55.17
O=C(NC1=CC=CC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232529	0	34	-1.0	-53.52	306.69	4.25	-49.27
O=C(NC1=CC=CC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232529	1	34	-1.0	-53.51	306.62	4.23	-49.28
O=C(NC1=CC=CC(C(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232530	0	40	-1.0	-43.65	332.83	4.62	-39.03
O=C(NC1=CC=CC(C(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232530	1	40	-1.0	-43.66	332.78	4.60	-39.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(C(F)(F)F)=CC=N1	REAL300020232531	0	37	-1.0	-43.71	338.15	5.52	-38.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(C(F)(F)F)=CC=N1	REAL300020232531	1	37	-1.0	-43.67	338.10	5.50	-38.17
O=C(NC1=CC(C(F)(F)F)=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232532	0	37	-1.0	-43.40	316.45	4.38	-39.02
O=C(NC1=CC(C(F)(F)F)=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232532	1	37	-1.0	-43.38	316.40	4.36	-39.02
O=C(NC1=CC(C(F)(F)F)=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020232533	0	34	-1.0	-55.07	303.95	4.13	-50.94
O=C(NC1=CC(C(F)(F)F)=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020232533	1	34	-1.0	-55.10	303.89	4.12	-50.98
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=CC=N1)C1=NN=N[N-]1	REAL300020232534	0	37	-1.0	-48.21	347.38	4.06	-44.15
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=CC=N1)C1=N[N-]N=N1	REAL300020232534	1	37	-1.0	-48.20	347.33	4.04	-44.16
O=C(NC1=CC(C(F)(F)F)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232535	0	34	-1.0	-45.82	305.48	4.18	-41.64
O=C(NC1=CC(C(F)(F)F)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232535	1	34	-1.0	-45.81	305.41	4.16	-41.65
O=C(NC1=CC(C(F)(F)F)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232536	0	40	-1.0	-49.82	328.05	5.87	-43.95
O=C(NC1=CC(C(F)(F)F)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232536	1	40	-1.0	-49.81	327.99	5.85	-43.96
COC(=O)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020232537	0	40	-1.0	-46.02	354.27	5.20	-40.82
COC(=O)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020232537	1	40	-1.0	-46.05	354.21	5.18	-40.87
COC(=O)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232538	0	40	-1.0	-48.72	332.58	4.07	-44.65
COC(=O)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232538	1	40	-1.0	-48.67	332.52	4.05	-44.62
COC(=O)C1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232539	0	37	-1.0	-57.08	319.98	3.78	-53.30
COC(=O)C1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232539	1	37	-1.0	-57.03	319.93	3.75	-53.28
COC(=O)C1=CC=NC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020232540	0	40	-1.0	-50.55	363.50	3.74	-46.81
COC(=O)C1=CC=NC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020232540	1	40	-1.0	-50.55	363.45	3.72	-46.83
COC(=O)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232541	0	37	-1.0	-47.84	321.35	3.83	-44.01
COC(=O)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232541	1	37	-1.0	-47.81	321.28	3.82	-43.99
COC(=O)C1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020232542	0	43	-1.0	-51.99	343.92	5.53	-46.46
COC(=O)C1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020232542	1	43	-1.0	-51.98	343.86	5.52	-46.46
CSC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020232543	0	38	-1.0	-53.78	339.44	5.50	-48.28
CSC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020232543	1	38	-1.0	-53.72	339.39	5.48	-48.24
CSC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020232544	0	38	-1.0	-47.24	320.41	4.98	-42.26
CSC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020232544	1	38	-1.0	-47.25	320.35	4.96	-42.29
CSC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL300020232545	0	35	-1.0	-58.97	304.98	4.07	-54.90
CSC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL300020232545	1	35	-1.0	-58.94	304.92	4.04	-54.90
CSCC[C@H](NC(=O)NC1=CC=C(SC)C=N1)C1=NN=N[N-]1	REAL300020232546	0	38	-1.0	-51.48	348.66	4.04	-47.44
CSCC[C@H](NC(=O)NC1=CC=C(SC)C=N1)C1=N[N-]N=N1	REAL300020232546	1	38	-1.0	-51.52	348.60	4.02	-47.50
CSC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020232547	0	35	-1.0	-48.49	306.51	4.13	-44.36
CSC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020232547	1	35	-1.0	-48.46	306.43	4.11	-44.35
CSC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020232548	0	41	-1.0	-53.47	328.68	5.83	-47.64
CSC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020232548	1	41	-1.0	-53.46	328.63	5.83	-47.63
COC1=CC=CN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232549	0	38	-1.0	-46.63	327.90	3.91	-42.72
COC1=CC=CN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232549	1	38	-1.0	-46.60	327.84	3.89	-42.71
COC1=CC=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232550	0	38	-1.0	-48.61	308.71	3.44	-45.17
COC1=CC=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232550	1	38	-1.0	-48.60	308.66	3.43	-45.17
COC1=CC=CN=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020232551	0	38	-1.0	-52.83	336.86	2.49	-50.34
COC1=CC=CN=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020232551	1	38	-1.0	-52.83	336.81	2.47	-50.36
COC1=CC=CN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232552	0	41	-1.0	-55.10	316.93	4.29	-50.81
COC1=CC=CN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232552	1	41	-1.0	-55.08	316.88	4.29	-50.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(OC2=CC=CC=C2)C=N1	REAL300020232553	0	45	-1.0	-55.24	388.35	7.36	-47.88
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(OC2=CC=CC=C2)C=N1	REAL300020232553	1	45	-1.0	-55.23	388.29	7.34	-47.89
O=C(NC1=CC=C(OC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232554	0	45	-1.0	-42.31	366.52	6.20	-36.11
O=C(NC1=CC=C(OC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232554	1	45	-1.0	-42.35	366.46	6.19	-36.16
O=C(NC1=CC=C(OC2=CC=CC=C2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020232555	0	42	-1.0	-60.20	353.73	5.96	-54.24
O=C(NC1=CC=C(OC2=CC=CC=C2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020232555	1	42	-1.0	-60.18	353.67	5.94	-54.24
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020232556	0	45	-1.0	-52.71	397.42	5.90	-46.81
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020232556	1	45	-1.0	-52.72	397.36	5.88	-46.84
O=C(NC1=CC=C(OC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232557	0	42	-1.0	-49.49	355.25	6.00	-43.49
O=C(NC1=CC=C(OC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232557	1	42	-1.0	-49.48	355.17	5.99	-43.49
O=C(NC1=CC=C(OC2=CC=CC=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232558	0	48	-1.0	-45.43	379.67	6.90	-38.53
O=C(NC1=CC=C(OC2=CC=CC=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232558	1	48	-1.0	-45.45	379.63	6.90	-38.55
CC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020232559	0	39	-1.0	-57.01	339.80	4.88	-52.13
CC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020232559	1	39	-1.0	-57.00	339.74	4.86	-52.14
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020232560	0	39	-1.0	-47.69	322.82	4.49	-43.20
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020232560	1	39	-1.0	-47.65	322.87	4.50	-43.15
CC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL300020232561	0	36	-1.0	-57.31	307.35	3.58	-53.73
CC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL300020232561	1	36	-1.0	-57.32	307.41	3.60	-53.72
CSCC[C@H](NC(=O)NC1=CC=C(C(C)=O)C=N1)C1=N[N-]N=N1	REAL300020232562	0	39	-1.0	-50.74	351.03	3.55	-47.19
CSCC[C@H](NC(=O)NC1=CC=C(C(C)=O)C=N1)C1=NN=N[N-]1	REAL300020232562	1	39	-1.0	-50.75	351.09	3.56	-47.19
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020232563	0	36	-1.0	-48.37	306.58	3.54	-44.83
CC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020232563	1	36	-1.0	-48.40	306.65	3.55	-44.85
CC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020232564	0	42	-1.0	-51.75	331.06	5.37	-46.38
CC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020232564	1	42	-1.0	-51.75	331.11	5.38	-46.37
CN(C)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020232565	0	42	-1.0	-46.59	351.40	6.13	-40.46
CN(C)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020232565	1	42	-1.0	-46.57	351.34	6.11	-40.46
CN(C)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020232566	0	42	-1.0	-44.78	331.22	4.99	-39.79
CN(C)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020232566	1	42	-1.0	-44.77	331.16	4.98	-39.79
CN(C)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020232567	0	39	-1.0	-61.16	317.49	4.69	-56.47
CN(C)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020232567	1	39	-1.0	-61.19	317.43	4.67	-56.52
CSCC[C@H](NC(=O)NC1=CC=CC(N(C)C)=N1)C1=NN=N[N-]1	REAL300020232568	0	42	-1.0	-53.49	363.41	4.68	-48.81
CSCC[C@H](NC(=O)NC1=CC=CC(N(C)C)=N1)C1=N[N-]N=N1	REAL300020232568	1	42	-1.0	-53.43	363.35	4.66	-48.77
CN(C)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020232569	0	39	-1.0	-49.94	319.01	4.74	-45.20
CN(C)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020232569	1	39	-1.0	-49.92	318.93	4.73	-45.19
CN(C)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020232570	0	45	-1.0	-55.52	342.66	6.39	-49.13
CN(C)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020232570	1	45	-1.0	-55.55	342.61	6.37	-49.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(N2CCCC2=O)C=N1	REAL300020232571	0	45	-1.0	-60.31	377.03	5.57	-54.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(N2CCCC2=O)C=N1	REAL300020232571	1	45	-1.0	-60.34	376.97	5.55	-54.79
O=C(NC1=CC=C(N2CCCC2=O)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232572	0	45	-1.0	-51.18	357.78	5.09	-46.09
O=C(NC1=CC=C(N2CCCC2=O)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232572	1	45	-1.0	-51.22	357.73	5.07	-46.15
O=C(NC1=CC=C(N2CCCC2=O)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020232573	0	42	-1.0	-61.40	342.49	4.20	-57.20
O=C(NC1=CC=C(N2CCCC2=O)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020232573	1	42	-1.0	-61.41	342.43	4.18	-57.23
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2=O)C=N1)C1=NN=N[N-]1	REAL300020232574	0	45	-1.0	-54.79	386.02	4.15	-50.64
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCC2=O)C=N1)C1=N[N-]N=N1	REAL300020232574	1	45	-1.0	-54.75	385.96	4.13	-50.62
O=C(NC1=CC=C(N2CCCC2=O)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232575	0	42	-1.0	-51.59	343.87	4.24	-47.35
O=C(NC1=CC=C(N2CCCC2=O)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232575	1	42	-1.0	-51.51	343.80	4.23	-47.28
O=C(NC1=CC=C(N2CCCC2=O)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232576	0	48	-1.0	-50.98	370.81	4.68	-46.30
O=C(NC1=CC=C(N2CCCC2=O)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232576	1	48	-1.0	-50.93	370.76	4.65	-46.28
CN(C)C(=O)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020232577	0	44	-1.0	-50.71	368.23	4.14	-46.57
CN(C)C(=O)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020232577	1	44	-1.0	-50.71	368.17	4.11	-46.60
CN(C)C(=O)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232578	0	44	-1.0	-53.43	350.99	3.30	-50.13
CN(C)C(=O)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232578	1	44	-1.0	-53.41	350.93	3.29	-50.12
CN(C)C(=O)C1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232579	0	41	-1.0	-60.66	336.59	2.97	-57.69
CN(C)C(=O)C1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232579	1	41	-1.0	-60.63	336.54	2.94	-57.69
CSCC[C@H](NC(=O)NC1=CC(C(=O)N(C)C)=CC=N1)C1=NN=N[N-]1	REAL300020232580	0	44	-1.0	-53.63	380.13	2.93	-50.70
CSCC[C@H](NC(=O)NC1=CC(C(=O)N(C)C)=CC=N1)C1=N[N-]N=N1	REAL300020232580	1	44	-1.0	-53.59	380.07	2.91	-50.68
CN(C)C(=O)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232581	0	41	-1.0	-50.91	337.97	3.02	-47.89
CN(C)C(=O)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232581	1	41	-1.0	-50.87	337.89	3.01	-47.86
CN(C)C(=O)C1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020232582	0	47	-1.0	-57.02	361.31	4.75	-52.27
CN(C)C(=O)C1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020232582	1	47	-1.0	-56.99	361.26	4.73	-52.26
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232583	0	45	-1.0	-44.52	382.09	6.58	-37.94
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232583	1	45	-1.0	-44.53	382.03	6.56	-37.97
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232584	0	45	-1.0	-46.03	362.84	6.10	-39.93
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232584	1	45	-1.0	-46.01	362.90	6.11	-39.90
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232585	0	42	-1.0	-56.54	347.38	5.18	-51.36
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232585	1	42	-1.0	-56.58	347.44	5.20	-51.38
CSCC[C@H](NC(=O)NC1=CN(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020232586	0	45	-1.0	-49.29	391.00	5.15	-44.14
CSCC[C@H](NC(=O)NC1=CN(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020232586	1	45	-1.0	-49.30	391.05	5.17	-44.13
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232587	0	42	-1.0	-46.31	348.87	5.22	-41.09
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232587	1	42	-1.0	-46.28	348.94	5.23	-41.05
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232588	0	48	-1.0	-53.31	371.40	7.09	-46.22
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232588	1	48	-1.0	-53.33	371.45	7.09	-46.24
CC1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)OCO2	REAL300020232589	0	41	-1.0	-48.50	347.67	4.39	-44.11
CC1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)OCO2	REAL300020232589	1	41	-1.0	-48.47	347.61	4.37	-44.10
CC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)CC1)OCO2	REAL300020232590	0	41	-1.0	-47.01	328.65	3.87	-43.14
CC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)CC1)OCO2	REAL300020232590	1	41	-1.0	-47.00	328.70	3.88	-43.12
CC1=CC2=C(C=C1NC(=O)N1CCCC1C1=N[N-]N=N1)OCO2	REAL300020232591	0	38	-1.0	-56.65	312.36	2.90	-53.75
CC1=CC2=C(C=C1NC(=O)N1CCCC1C1=NN=N[N-]1)OCO2	REAL300020232591	1	38	-1.0	-56.66	312.42	2.93	-53.73
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1C)OCO2)C1=N[N-]N=N1	REAL300020232592	0	41	-1.0	-52.55	355.91	2.85	-49.70
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1C)OCO2)C1=NN=N[N-]1	REAL300020232592	1	41	-1.0	-52.54	355.96	2.87	-49.67
CC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)C1)OCO2	REAL300020232593	0	38	-1.0	-47.76	313.72	2.94	-44.82
CC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020232593	1	38	-1.0	-47.75	313.80	2.95	-44.80
CC1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1)OCO2	REAL300020232594	0	44	-1.0	-53.74	336.17	4.79	-48.95
CC1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1)OCO2	REAL300020232594	1	44	-1.0	-53.76	336.22	4.79	-48.97
N#CC1=C(F)C=CC=C1N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020232595	0	43	-1.0	-55.51	364.77	6.94	-48.57
N#CC1=C(F)C=CC=C1N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020232595	1	43	-1.0	-55.46	364.71	6.92	-48.54
N#CC1=C(F)C=CC=C1N1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020232596	0	40	-1.0	-61.71	349.29	6.04	-55.67
N#CC1=C(F)C=CC=C1N1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020232596	1	40	-1.0	-61.66	349.23	6.01	-55.65
N#CC1=C(F)C=CC=C1N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020232597	0	40	-1.0	-53.21	350.77	6.08	-47.13
N#CC1=C(F)C=CC=C1N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020232597	1	40	-1.0	-53.24	350.70	6.06	-47.18
N#CC1=C(F)C=CC=C1N1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020232598	0	46	-1.0	-56.50	372.78	7.82	-48.68
N#CC1=C(F)C=CC=C1N1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020232598	1	46	-1.0	-56.50	372.74	7.79	-48.71
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020232599	0	43	-1.0	-51.12	365.24	6.97	-44.15
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020232599	1	43	-1.0	-51.13	365.18	6.96	-44.17
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020232600	0	40	-1.0	-57.54	349.79	6.07	-51.47
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020232600	1	40	-1.0	-57.56	349.73	6.06	-51.50
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020232601	0	40	-1.0	-49.18	351.26	6.14	-43.04
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020232601	1	40	-1.0	-49.20	351.19	6.12	-43.08
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020232602	0	46	-1.0	-52.27	373.21	7.87	-44.40
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020232602	1	46	-1.0	-52.26	373.17	7.86	-44.40
O=C([N-]C1=NC=C(C2CCCCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232603	0	46	-2.0	-91.83	391.73	6.30	-85.53
O=C([N-]C1=NC=C(C2CCCCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232603	1	46	-2.0	-91.79	391.68	6.27	-85.52
O=C(NC1=NC=C(C2CCCCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232603	1	47	-1.0	-44.42	394.99	7.50	-36.92
O=C(NC1=NC=C(C2CCCCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232603	1	47	-1.0	-44.39	394.93	7.47	-36.92
O=C(NC1=NC=C(C2CCCCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232604	0	47	-1.0	-46.46	375.78	7.00	-39.46
O=C(NC1=NC=C(C2CCCCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232604	1	47	-1.0	-46.48	375.72	6.99	-39.49
O=C(NC1=NC=C(C2CCCCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020232605	0	44	-1.0	-58.00	360.36	6.11	-51.89
O=C(NC1=NC=C(C2CCCCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020232605	1	44	-1.0	-58.01	360.30	6.08	-51.93
CSCC[C@H](NC(=O)NC1=NC=C(C2CCCCC2)S1)C1=NN=N[N-]1	REAL300020232606	0	47	-1.0	-50.31	403.97	6.07	-44.24
CSCC[C@H](NC(=O)NC1=NC=C(C2CCCCC2)S1)C1=N[N-]N=N1	REAL300020232606	1	47	-1.0	-50.36	403.91	6.06	-44.30
O=C(NC1=NC=C(C2CCCCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232607	0	44	-1.0	-47.00	361.82	6.16	-40.84
O=C(NC1=NC=C(C2CCCCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232607	1	44	-1.0	-47.00	361.75	6.14	-40.86
O=C(NC1=NC=C(C2CCCCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232608	0	50	-1.0	-53.67	384.02	7.87	-45.80
O=C(NC1=NC=C(C2CCCCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232608	1	50	-1.0	-53.67	383.98	7.86	-45.81
CC(C)OC1=C(F)C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020232609	0	45	-1.0	-42.54	387.92	5.87	-36.67
CC(C)OC1=C(F)C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020232609	1	45	-1.0	-42.60	387.98	5.89	-36.71
CC(C)OC1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020232610	0	45	-1.0	-43.45	368.82	5.41	-38.04
CC(C)OC1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020232610	1	45	-1.0	-43.45	368.88	5.42	-38.03
CC(C)OC1=C(F)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020232611	0	42	-1.0	-52.73	352.99	4.53	-48.20
CC(C)OC1=C(F)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020232611	1	42	-1.0	-52.77	353.05	4.55	-48.22
CSCC[C@H](NC(=O)NC1=CC(F)=C(OC(C)C)C(F)=C1)C1=N[N-]N=N1	REAL300020232612	0	45	-1.0	-47.25	396.67	4.49	-42.76
CSCC[C@H](NC(=O)NC1=CC(F)=C(OC(C)C)C(F)=C1)C1=NN=N[N-]1	REAL300020232612	1	45	-1.0	-47.28	396.73	4.51	-42.77
CC(C)OC1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020232613	0	42	-1.0	-44.41	354.79	4.56	-39.85
CC(C)OC1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020232613	1	42	-1.0	-44.42	354.86	4.56	-39.86
CC(C)OC1=C(F)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020232614	0	48	-1.0	-50.54	376.67	6.41	-44.13
CC(C)OC1=C(F)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020232614	1	48	-1.0	-50.52	376.72	6.42	-44.10
COCCOC1=CC=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232615	0	47	-1.0	-61.17	406.88	4.78	-56.39
COCCOC1=CC=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232615	1	47	-1.0	-61.18	406.94	4.80	-56.38
COCCOC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232616	0	47	-1.0	-49.04	389.30	4.28	-44.76
COCCOC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232616	1	47	-1.0	-49.04	389.36	4.30	-44.74
COCCOC1=CC=C(C#N)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232617	0	44	-1.0	-61.26	373.60	3.38	-57.88
COCCOC1=CC=C(C#N)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232617	1	44	-1.0	-61.26	373.66	3.41	-57.85
COCCOC1=CC=C(C#N)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020232618	0	47	-1.0	-53.96	416.29	3.35	-50.61
COCCOC1=CC=C(C#N)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020232618	1	47	-1.0	-53.92	416.35	3.37	-50.55
COCCOC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232619	0	44	-1.0	-49.39	374.16	3.43	-45.96
COCCOC1=CC=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232619	1	44	-1.0	-49.45	374.24	3.45	-46.00
COCCOC1=CC=C(C#N)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232620	0	50	-1.0	-55.24	396.85	5.18	-50.06
COCCOC1=CC=C(C#N)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232620	1	50	-1.0	-55.27	396.89	5.18	-50.09
O=C(NC1=CC=C(N2CCCCCCC2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232621	0	53	-1.0	-51.66	390.18	6.53	-45.13
O=C(NC1=CC=C(N2CCCCCCC2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232621	1	53	-1.0	-51.68	390.24	6.55	-45.13
O=C(NC1=CC=C(N2CCCCCCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232622	0	53	-1.0	-42.30	391.56	6.59	-35.71
O=C(NC1=CC=C(N2CCCCCCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232622	1	53	-1.0	-42.29	391.64	6.59	-35.70
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N1N=NN=C1C(C)C	REAL300020232623	0	52	-1.0	-46.92	412.61	6.17	-40.75
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N1N=NN=C1C(C)C	REAL300020232623	1	52	-1.0	-46.97	412.67	6.19	-40.78
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N1N=NN=C1C(C)C	REAL300020232624	0	49	-1.0	-50.79	397.54	5.29	-45.50
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N1N=NN=C1C(C)C	REAL300020232624	1	49	-1.0	-50.78	397.59	5.29	-45.49
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1N=NN=C1C(C)C	REAL300020232625	0	49	-1.0	-44.61	399.05	5.34	-39.27
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1N=NN=C1C(C)C	REAL300020232625	1	49	-1.0	-44.64	399.12	5.36	-39.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1OCO2	REAL300020232626	0	38	-1.0	-41.80	328.25	3.46	-38.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1OCO2	REAL300020232626	1	38	-1.0	-41.80	328.19	3.44	-38.36
O=C(NC1=CC=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232627	0	38	-1.0	-42.84	308.71	2.97	-39.87
O=C(NC1=CC=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232627	1	38	-1.0	-42.89	308.77	2.98	-39.91
O=C(NC1=CC=CC2=C1OCO2)N1CCCC1C1=N[N-]N=N1	REAL300020232628	0	35	-1.0	-52.12	294.41	2.05	-50.07
O=C(NC1=CC=CC2=C1OCO2)N1CCCC1C1=NN=N[N-]1	REAL300020232628	1	35	-1.0	-52.18	294.47	2.06	-50.12
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OCO2)C1=N[N-]N=N1	REAL300020232629	0	38	-1.0	-45.92	338.08	2.01	-43.91
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OCO2)C1=NN=N[N-]1	REAL300020232629	1	38	-1.0	-45.88	338.14	2.02	-43.86
O=C(NC1=CC=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020232630	0	35	-1.0	-43.03	295.33	2.11	-40.92
O=C(NC1=CC=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020232630	1	35	-1.0	-43.04	295.40	2.12	-40.92
O=C(NC1=CC=CC2=C1OCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020232631	0	41	-1.0	-47.87	317.38	3.86	-44.01
O=C(NC1=CC=CC2=C1OCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020232631	1	41	-1.0	-47.89	317.44	3.87	-44.02
CC(C)N1N=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232632	0	49	-1.0	-47.09	394.12	5.51	-41.58
CC(C)N1N=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232632	1	49	-1.0	-47.08	394.18	5.52	-41.56
CC(C)N1N=NN=C1C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232633	0	46	-1.0	-59.26	378.48	4.48	-54.78
CC(C)N1N=NN=C1C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232633	1	46	-1.0	-59.28	378.54	4.49	-54.79
CC(C)N1N=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232634	0	46	-1.0	-46.64	378.19	4.58	-42.06
CC(C)N1N=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232634	1	46	-1.0	-46.66	378.27	4.60	-42.06
CC(C)N1N=NN=C1C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232635	0	52	-1.0	-49.95	401.04	6.56	-43.39
CC(C)N1N=NN=C1C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232635	1	52	-1.0	-49.96	401.08	6.57	-43.39
CSC1=C(F)C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020232636	0	39	-1.0	-42.13	359.35	5.95	-36.18
CSC1=C(F)C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020232636	1	39	-1.0	-42.08	359.30	5.92	-36.16
CSC1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020232637	0	39	-1.0	-42.94	340.21	5.46	-37.48
CSC1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020232637	1	39	-1.0	-42.88	340.27	5.48	-37.40
CSC1=C(F)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020232638	0	36	-1.0	-51.97	324.37	4.59	-47.38
CSC1=C(F)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020232638	1	36	-1.0	-51.97	324.43	4.60	-47.37
CSCC[C@H](NC(=O)NC1=CC(F)=C(SC)C(F)=C1)C1=N[N-]N=N1	REAL300020232639	0	39	-1.0	-46.41	368.06	4.55	-41.86
CSCC[C@H](NC(=O)NC1=CC(F)=C(SC)C(F)=C1)C1=NN=N[N-]1	REAL300020232639	1	39	-1.0	-46.41	368.11	4.56	-41.85
CSC1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020232640	0	36	-1.0	-43.68	325.89	4.63	-39.05
CSC1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020232640	1	36	-1.0	-43.71	325.96	4.65	-39.06
CSC1=C(F)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020232641	0	42	-1.0	-49.67	348.04	6.47	-43.20
CSC1=C(F)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020232641	1	42	-1.0	-49.68	348.10	6.48	-43.20
O=C(NC1=NN2C=CC=CC2=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232642	0	37	-1.0	-52.33	327.30	7.13	-45.20
O=C(NC1=NN2C=CC=CC2=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232642	1	37	-1.0	-52.33	327.25	7.10	-45.23
O=C(NC1=NN2C=CC=CC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232643	0	37	-1.0	-54.75	308.13	6.65	-48.10
O=C(NC1=NN2C=CC=CC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232643	1	37	-1.0	-54.78	308.08	6.63	-48.15
CSCC[C@H](NC(=O)NC1=NN2C=CC=CC2=N1)C1=NN=N[N-]1	REAL300020232644	0	37	-1.0	-58.64	336.28	5.70	-52.94
CSCC[C@H](NC(=O)NC1=NN2C=CC=CC2=N1)C1=N[N-]N=N1	REAL300020232644	1	37	-1.0	-58.64	336.22	5.69	-52.95
O=C(NC1=NN2C=CC=CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232645	0	40	-1.0	-61.31	316.35	7.35	-53.96
O=C(NC1=NN2C=CC=CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232645	1	40	-1.0	-61.34	316.30	7.34	-54.00
CC1=CC=NN1C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232646	0	45	-1.0	-46.56	379.21	6.95	-39.61
CC1=CC=NN1C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232646	1	45	-1.0	-46.55	379.15	6.92	-39.63
CC1=CC=NN1C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232647	0	45	-1.0	-47.41	361.52	6.37	-41.04
CC1=CC=NN1C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232647	1	45	-1.0	-47.41	361.58	6.39	-41.02
CC1=CC=NN1C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232648	0	42	-1.0	-56.50	344.12	5.53	-50.97
CC1=CC=NN1C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232648	1	42	-1.0	-56.54	344.18	5.55	-50.99
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1N=CC=C1C)C1=N[N-]N=N1	REAL300020232649	0	45	-1.0	-51.58	388.54	5.49	-46.09
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1N=CC=C1C)C1=NN=N[N-]1	REAL300020232649	1	45	-1.0	-51.54	388.60	5.50	-46.04
CC1=CC=NN1C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232650	0	42	-1.0	-45.71	345.70	5.59	-40.12
CC1=CC=NN1C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232650	1	42	-1.0	-45.68	345.77	5.60	-40.08
CC1=CC=NN1C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232651	0	48	-1.0	-51.20	368.04	7.27	-43.93
CC1=CC=NN1C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232651	1	48	-1.0	-51.18	368.08	7.28	-43.90
COC1CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C1	REAL300020232652	0	46	-1.0	-42.52	382.02	5.66	-36.86
COC1CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C1	REAL300020232652	1	46	-1.0	-42.49	381.96	5.64	-36.85
COC1CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C1	REAL300020232653	0	46	-1.0	-43.82	361.69	5.25	-38.57
COC1CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C1	REAL300020232653	1	46	-1.0	-43.83	361.75	5.27	-38.56
COC1CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C1	REAL300020232654	0	43	-1.0	-54.14	347.41	4.28	-49.86
COC1CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C1	REAL300020232654	1	43	-1.0	-54.16	347.47	4.28	-49.88
COC1CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2C1	REAL300020232655	0	46	-1.0	-46.26	390.96	4.24	-42.02
COC1CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2C1	REAL300020232655	1	46	-1.0	-46.25	391.02	4.25	-42.00
COC1CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1	REAL300020232656	0	43	-1.0	-44.12	348.79	4.33	-39.79
COC1CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1	REAL300020232656	1	43	-1.0	-44.11	348.86	4.35	-39.76
COC1CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020232657	0	49	-1.0	-41.90	375.21	5.38	-36.52
COC1CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020232657	1	49	-1.0	-41.84	375.25	5.38	-36.46
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C2CCCCC2=C1	REAL300020232658	0	44	-1.0	-42.12	360.95	5.48	-36.64
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C2CCCCC2=C1	REAL300020232658	1	44	-1.0	-42.09	360.89	5.46	-36.63
O=C(NC1=CN=C2CCCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232659	0	44	-1.0	-45.82	341.93	4.92	-40.90
O=C(NC1=CN=C2CCCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232659	1	44	-1.0	-45.83	341.99	4.94	-40.89
O=C(NC1=CN=C2CCCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232660	0	41	-1.0	-54.52	326.44	4.07	-50.45
O=C(NC1=CN=C2CCCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232660	1	41	-1.0	-54.51	326.50	4.09	-50.42
CSCC[C@H](NC(=O)NC1=CN=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300020232661	0	44	-1.0	-47.46	370.12	4.03	-43.43
CSCC[C@H](NC(=O)NC1=CN=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300020232661	1	44	-1.0	-47.47	370.18	4.04	-43.43
O=C(NC1=CN=C2CCCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232662	0	41	-1.0	-43.88	327.96	4.13	-39.75
O=C(NC1=CN=C2CCCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232662	1	41	-1.0	-43.92	328.03	4.15	-39.77
O=C(NC1=CN=C2CCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232663	0	47	-1.0	-43.42	354.50	5.13	-38.29
O=C(NC1=CN=C2CCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232663	1	47	-1.0	-43.39	354.54	5.14	-38.25
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(N(C)C)=C1	REAL300020232664	0	49	-1.0	-43.75	411.66	5.27	-38.48
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(N(C)C)=C1	REAL300020232664	1	49	-1.0	-43.75	411.60	5.25	-38.50
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(N(C)C)=C1	REAL300020232665	0	49	-1.0	-43.36	391.34	4.79	-38.57
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(N(C)C)=C1	REAL300020232665	1	49	-1.0	-43.42	391.40	4.81	-38.61
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(N(C)C)=C1	REAL300020232666	0	46	-1.0	-51.45	376.50	3.91	-47.54
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(N(C)C)=C1	REAL300020232666	1	46	-1.0	-51.46	376.56	3.93	-47.53
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(N(C)C)=C1	REAL300020232667	0	49	-1.0	-45.47	420.03	3.85	-41.62
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(N(C)C)=C1	REAL300020232667	1	49	-1.0	-45.45	420.08	3.86	-41.59
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(N(C)C)=C1	REAL300020232668	0	46	-1.0	-42.66	377.57	3.93	-38.73
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(N(C)C)=C1	REAL300020232668	1	46	-1.0	-42.72	377.65	3.95	-38.77
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(N(C)C)=C1	REAL300020232669	0	52	-1.0	-41.32	406.62	5.08	-36.24
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(N(C)C)=C1	REAL300020232669	1	52	-1.0	-41.27	406.66	5.11	-36.16
CC1=CC=C(N2N=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2C(C)C)C=C1	REAL300020232670	0	54	-1.0	-46.84	415.84	8.14	-38.70
CC1=CC=C(N2N=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2C(C)C)C=C1	REAL300020232670	1	54	-1.0	-46.84	415.89	8.15	-38.69
CC1=CC=C(N2N=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2C(C)C)C=C1	REAL300020232671	0	51	-1.0	-59.87	399.16	7.18	-52.69
CC1=CC=C(N2N=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2C(C)C)C=C1	REAL300020232671	1	51	-1.0	-59.85	399.22	7.19	-52.66
CC1=CC=C(N2N=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C(C)C)C=C1	REAL300020232672	0	51	-1.0	-47.44	402.10	7.27	-40.17
CC1=CC=C(N2N=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C(C)C)C=C1	REAL300020232672	1	51	-1.0	-47.47	402.17	7.28	-40.19
CC(C)C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020232673	0	39	-2.0	-102.73	350.12	4.40	-98.33
CC(C)C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020232673	1	39	-2.0	-102.79	350.06	4.37	-98.42
CC(C)C1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020232673	1	40	-1.0	-44.90	353.37	5.60	-39.30
CC(C)C1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020232673	1	40	-1.0	-44.86	353.31	5.58	-39.28
CC(C)C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020232674	0	40	-1.0	-46.98	334.15	5.11	-41.87
CC(C)C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020232674	1	40	-1.0	-46.97	334.09	5.09	-41.88
CC(C)C1=CN=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020232675	0	37	-1.0	-58.55	318.72	4.21	-54.34
CC(C)C1=CN=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020232675	1	37	-1.0	-58.49	318.66	4.18	-54.31
CSCC[C@H](NC(=O)NC1=NC=C(C(C)C)S1)C1=NN=N[N-]1	REAL300020232676	0	40	-1.0	-50.82	362.33	4.18	-46.64
CSCC[C@H](NC(=O)NC1=NC=C(C(C)C)S1)C1=N[N-]N=N1	REAL300020232676	1	40	-1.0	-50.83	362.28	4.16	-46.67
CC(C)C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020232677	0	37	-1.0	-47.54	320.20	4.26	-43.28
CC(C)C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020232677	1	37	-1.0	-47.55	320.13	4.25	-43.30
CC(C)C1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020232678	0	43	-1.0	-53.97	342.64	5.98	-47.99
CC(C)C1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020232678	1	43	-1.0	-53.95	342.58	5.97	-47.98
COC1=CC(Cl)=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232679	0	39	-1.0	-52.96	362.54	5.15	-47.81
COC1=CC(Cl)=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232679	1	39	-1.0	-52.94	362.59	5.18	-47.76
COC1=CC(Cl)=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232680	0	39	-1.0	-42.84	343.40	4.70	-38.14
COC1=CC(Cl)=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232680	1	39	-1.0	-42.88	343.46	4.72	-38.16
COC1=CC(Cl)=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232681	0	36	-1.0	-53.27	329.20	3.77	-49.50
COC1=CC(Cl)=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232681	1	36	-1.0	-53.23	329.25	3.79	-49.44
COC1=CC(Cl)=C(Cl)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020232682	0	39	-1.0	-46.48	371.90	3.73	-42.75
COC1=CC(Cl)=C(Cl)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020232682	1	39	-1.0	-46.46	371.96	3.74	-42.72
COC1=CC(Cl)=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232683	0	36	-1.0	-42.77	329.74	3.82	-38.95
COC1=CC(Cl)=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232683	1	36	-1.0	-42.81	329.81	3.84	-38.97
COC1=CC(Cl)=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232684	0	42	-1.0	-48.05	352.38	5.54	-42.51
COC1=CC(Cl)=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232684	1	42	-1.0	-48.07	352.43	5.55	-42.52
COC(=O)CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020232685	0	43	-1.0	-57.49	374.68	6.05	-51.44
COC(=O)CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020232685	1	43	-1.0	-57.47	374.62	6.02	-51.45
COC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020232686	0	43	-1.0	-55.36	355.77	5.53	-49.83
COC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020232686	1	43	-1.0	-55.34	355.82	5.54	-49.80
COC(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020232687	0	40	-1.0	-67.97	340.32	4.61	-63.36
COC(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020232687	1	40	-1.0	-67.95	340.38	4.63	-63.32
COC(=O)CC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020232688	0	43	-1.0	-59.76	383.87	4.57	-55.19
COC(=O)CC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020232688	1	43	-1.0	-59.80	383.93	4.58	-55.22
COC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020232689	0	40	-1.0	-57.65	341.66	4.69	-52.96
COC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020232689	1	40	-1.0	-57.65	341.74	4.70	-52.95
COC(=O)CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020232690	0	46	-1.0	-60.20	364.25	6.37	-53.83
COC(=O)CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020232690	1	46	-1.0	-60.17	364.31	6.39	-53.78
COC1=CC=C2CCCC2=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232691	0	46	-1.0	-42.71	371.75	5.92	-36.79
COC1=CC=C2CCCC2=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232691	1	46	-1.0	-42.69	371.69	5.89	-36.80
COC1=CC=C2CCCC2=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232692	0	46	-1.0	-44.07	353.08	5.41	-38.66
COC1=CC=C2CCCC2=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232692	1	46	-1.0	-44.08	353.14	5.43	-38.65
COC1=CC=C2CCCC2=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232693	0	43	-1.0	-58.56	347.61	4.73	-53.83
COC1=CC=C2CCCC2=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232693	1	43	-1.0	-58.61	347.67	4.76	-53.85
COC1=CC=C2CCCC2=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020232694	0	46	-1.0	-51.09	391.29	4.70	-46.39
COC1=CC=C2CCCC2=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020232694	1	46	-1.0	-51.06	391.35	4.71	-46.35
COC1=CC=C2CCCC2=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232695	0	43	-1.0	-47.34	349.13	4.78	-42.56
COC1=CC=C2CCCC2=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232695	1	43	-1.0	-47.37	349.20	4.80	-42.57
COC1=CC=C2CCCC2=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232696	0	49	-1.0	-49.10	354.11	7.65	-41.45
COC1=CC=C2CCCC2=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232696	1	49	-1.0	-49.19	354.16	7.64	-41.55
O=C(NC1=CC2=CC=CC=C2N=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020232697	0	37	-1.0	-51.87	328.04	4.41	-47.46
O=C(NC1=CC2=CC=CC=C2N=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020232697	1	37	-1.0	-51.86	327.98	4.40	-47.46
O=C(NC1=CC2=CC=CC=C2N=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020232698	0	37	-1.0	-43.02	330.32	4.50	-38.52
O=C(NC1=CC2=CC=CC=C2N=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020232698	1	37	-1.0	-43.00	330.24	4.49	-38.51
CCC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1CCC(C)C	REAL300020232699	0	53	-1.0	-44.70	428.12	6.69	-38.01
CCC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1CCC(C)C	REAL300020232699	1	53	-1.0	-44.73	428.18	6.71	-38.02
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1CCC(C)C	REAL300020232700	0	53	-1.0	-46.56	408.96	6.23	-40.33
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1CCC(C)C	REAL300020232700	1	53	-1.0	-46.58	409.02	6.24	-40.34
CCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1CCC(C)C	REAL300020232701	0	50	-1.0	-58.50	388.45	5.16	-53.34
CCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1CCC(C)C	REAL300020232701	1	50	-1.0	-58.52	388.51	5.17	-53.35
CCC1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1CCC(C)C	REAL300020232702	0	53	-1.0	-50.83	437.11	5.28	-45.55
CCC1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1CCC(C)C	REAL300020232702	1	53	-1.0	-50.82	437.17	5.30	-45.52
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CCC(C)C	REAL300020232703	0	50	-1.0	-47.17	389.92	5.20	-41.97
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CCC(C)C	REAL300020232703	1	50	-1.0	-47.16	389.99	5.21	-41.95
CCC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1CCC(C)C	REAL300020232704	0	56	-1.0	-55.17	417.51	7.24	-47.93
CCC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1CCC(C)C	REAL300020232704	1	56	-1.0	-55.20	417.56	7.24	-47.96
O=C(NC1=CC=C(N2CC3CCC2C3)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232705	0	51	-1.0	-49.98	393.76	5.97	-44.01
O=C(NC1=CC=C(N2CC3CCC2C3)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232705	1	51	-1.0	-49.97	393.82	6.00	-43.97
O=C(NC1=CC=C(N2CC3CCC2C3)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232706	0	51	-1.0	-44.70	376.76	5.43	-39.27
O=C(NC1=CC=C(N2CC3CCC2C3)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232706	1	51	-1.0	-44.72	376.82	5.45	-39.27
O=C(NC1=CC=C(N2CC3CCC2C3)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232707	0	48	-1.0	-54.43	361.18	4.53	-49.90
O=C(NC1=CC=C(N2CC3CCC2C3)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232707	1	48	-1.0	-54.45	361.24	4.54	-49.91
CSCC[C@H](NC(=O)NC1=CC=C(N2CC3CCC2C3)C=C1)C1=N[N-]N=N1	REAL300020232708	0	51	-1.0	-50.07	404.76	4.48	-45.59
CSCC[C@H](NC(=O)NC1=CC=C(N2CC3CCC2C3)C=C1)C1=NN=N[N-]1	REAL300020232708	1	51	-1.0	-50.08	404.82	4.49	-45.59
O=C(NC1=CC=C(N2CC3CCC2C3)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232709	0	48	-1.0	-44.91	362.56	4.59	-40.32
O=C(NC1=CC=C(N2CC3CCC2C3)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232709	1	48	-1.0	-44.94	362.63	4.59	-40.35
O=C(NC1=CC=C(N2CC3CCC2C3)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232710	0	54	-1.0	-50.61	382.96	6.46	-44.15
O=C(NC1=CC=C(N2CC3CCC2C3)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232710	1	54	-1.0	-50.65	383.01	6.47	-44.18
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=C(F)C=C1	REAL300020232711	0	51	-1.0	-45.32	409.11	7.46	-37.86
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=C(F)C=C1	REAL300020232711	1	51	-1.0	-45.35	409.17	7.48	-37.87
CCCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL300020232712	0	48	-1.0	-57.26	393.63	6.55	-50.71
CCCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300020232712	1	48	-1.0	-57.25	393.69	6.56	-50.69
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020232713	0	48	-1.0	-46.14	395.18	6.59	-39.55
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020232713	1	48	-1.0	-46.17	395.25	6.60	-39.57
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC=C1C	REAL300020232714	0	54	-1.0	-46.84	421.64	8.34	-38.50
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC=C1C	REAL300020232714	1	54	-1.0	-46.84	421.70	8.35	-38.49
CCCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL300020232715	0	51	-1.0	-58.19	406.03	7.45	-50.74
CCCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL300020232715	1	51	-1.0	-58.14	406.09	7.46	-50.68
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1C	REAL300020232716	0	51	-1.0	-47.19	407.55	7.49	-39.70
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1C	REAL300020232716	1	51	-1.0	-47.21	407.62	7.51	-39.70
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=C(C)C=C1	REAL300020232717	0	54	-1.0	-46.81	424.12	8.09	-38.72
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=C(C)C=C1	REAL300020232717	1	54	-1.0	-46.79	424.18	8.11	-38.68
CCCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL300020232718	0	51	-1.0	-58.52	408.69	7.16	-51.36
CCCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300020232718	1	51	-1.0	-58.58	408.75	7.19	-51.39
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020232719	0	51	-1.0	-47.69	410.17	7.20	-40.49
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020232719	1	51	-1.0	-47.68	410.24	7.22	-40.46
CC(C#N)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020232720	0	45	-1.0	-53.55	382.00	3.02	-50.53
CC(C#N)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020232720	1	45	-1.0	-53.55	382.06	3.04	-50.51
CC(C#N)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020232721	0	42	-1.0	-62.72	367.89	2.06	-60.66
CC(C#N)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020232721	1	42	-1.0	-62.70	367.95	2.07	-60.63
CC(C#N)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020232722	0	42	-1.0	-53.85	368.97	2.14	-51.71
CC(C#N)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020232722	1	42	-1.0	-53.83	369.05	2.15	-51.68
CN1C=C(C2=NC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020232723	0	44	-1.0	-46.41	376.74	4.91	-41.50
CN1C=C(C2=NC=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020232723	1	44	-1.0	-46.42	376.68	4.88	-41.54
CN1C=C(C2=NC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020232724	0	44	-1.0	-46.32	354.36	4.12	-42.20
CN1C=C(C2=NC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020232724	1	44	-1.0	-46.38	354.31	4.11	-42.27
CN1C=C(C2=NC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020232725	0	41	-1.0	-54.73	342.44	3.48	-51.25
CN1C=C(C2=NC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020232725	1	41	-1.0	-54.76	342.38	3.47	-51.29
CSCC[C@H](NC(=O)NC1=CC=CN=C1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020232726	0	44	-1.0	-50.02	385.98	3.44	-46.58
CSCC[C@H](NC(=O)NC1=CC=CN=C1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020232726	1	44	-1.0	-50.00	385.93	3.43	-46.57
CN1C=C(C2=NC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020232727	0	41	-1.0	-45.46	343.86	3.52	-41.94
CN1C=C(C2=NC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020232727	1	41	-1.0	-45.49	343.79	3.51	-41.98
CN1C=C(C2=NC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020232728	0	47	-1.0	-52.06	365.14	5.27	-46.79
CN1C=C(C2=NC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020232728	1	47	-1.0	-52.05	365.08	5.27	-46.78
COCCS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020232729	0	48	-1.0	-50.13	400.08	1.79	-48.34
COCCS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020232729	1	48	-1.0	-50.22	400.13	1.81	-48.41
COCCS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020232730	0	45	-1.0	-60.11	384.56	0.87	-59.24
COCCS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020232730	1	45	-1.0	-60.09	384.62	0.89	-59.20
COCCS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020232731	0	45	-1.0	-50.68	385.69	0.96	-49.72
COCCS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020232731	1	45	-1.0	-50.72	385.76	0.97	-49.75
COCCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232732	0	45	-1.0	-41.99	375.29	5.56	-36.43
COCCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232732	1	45	-1.0	-42.00	375.23	5.53	-36.47
COCCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232733	0	45	-1.0	-42.90	355.70	4.94	-37.96
COCCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232733	1	45	-1.0	-42.92	355.75	4.95	-37.97
COCCC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232734	0	42	-1.0	-53.43	340.20	4.07	-49.36
COCCC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232734	1	42	-1.0	-53.40	340.26	4.09	-49.31
COCCC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020232735	0	45	-1.0	-47.04	384.40	4.09	-42.95
COCCC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020232735	1	45	-1.0	-47.08	384.46	4.10	-42.98
COCCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232736	0	42	-1.0	-43.37	341.54	4.13	-39.24
COCCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232736	1	42	-1.0	-43.36	341.61	4.15	-39.21
COCCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232737	0	48	-1.0	-41.00	365.51	5.09	-35.91
COCCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232737	1	48	-1.0	-40.92	365.57	5.10	-35.82
COCC(C)OC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232738	0	49	-1.0	-45.16	399.99	5.13	-40.03
COCC(C)OC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232738	1	49	-1.0	-45.15	400.05	5.14	-40.01
COCC(C)OC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232739	0	46	-1.0	-55.10	387.43	4.30	-50.80
COCC(C)OC1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232739	1	46	-1.0	-55.08	387.48	4.33	-50.75
COCC(C)OC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232740	0	46	-1.0	-45.28	389.31	4.35	-40.93
COCC(C)OC1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232740	1	46	-1.0	-45.35	389.39	4.36	-40.99
CN1C=CC2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C21	REAL300020232741	0	42	-1.0	-47.20	350.94	6.91	-40.29
CN1C=CC2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C21	REAL300020232741	1	42	-1.0	-47.20	350.88	6.88	-40.32
CN1C=CC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C21	REAL300020232742	0	42	-1.0	-46.14	332.43	6.34	-39.80
CN1C=CC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C21	REAL300020232742	1	42	-1.0	-46.17	332.49	6.35	-39.82
CN1C=CC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C21	REAL300020232743	0	39	-1.0	-58.85	317.15	5.43	-53.42
CN1C=CC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C21	REAL300020232743	1	39	-1.0	-58.90	317.21	5.45	-53.45
CSCC[C@H](NC(=O)NC1=C2C(=CC=C1)C=CN2C)C1=N[N-]N=N1	REAL300020232744	0	42	-1.0	-48.97	359.09	5.36	-43.61
CSCC[C@H](NC(=O)NC1=C2C(=CC=C1)C=CN2C)C1=NN=N[N-]1	REAL300020232744	1	42	-1.0	-48.97	359.14	5.38	-43.59
CN1C=CC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C21	REAL300020232745	0	39	-1.0	-46.49	318.52	5.47	-41.02
CN1C=CC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C21	REAL300020232745	1	39	-1.0	-46.52	318.59	5.49	-41.03
CN1C=CC2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020232746	0	45	-1.0	-54.24	339.38	7.23	-47.01
CN1C=CC2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020232746	1	45	-1.0	-54.20	339.43	7.24	-46.96
COC(=O)C1=CC=C(C(C)C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020232747	0	50	-1.0	-65.25	413.59	7.55	-57.70
COC(=O)C1=CC=C(C(C)C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020232747	1	50	-1.0	-65.23	413.54	7.53	-57.70
COC(=O)C1=CC=C(C(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232748	0	50	-1.0	-51.20	395.78	7.07	-44.13
COC(=O)C1=CC=C(C(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232748	1	50	-1.0	-51.20	395.83	7.09	-44.11
COC(=O)C1=CC=C(C(C)C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232749	0	47	-1.0	-61.79	380.48	6.15	-55.64
COC(=O)C1=CC=C(C(C)C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232749	1	47	-1.0	-61.83	380.54	6.16	-55.67
COC(=O)C1=CC=C(C(C)C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020232750	0	50	-1.0	-59.04	423.99	6.12	-52.92
COC(=O)C1=CC=C(C(C)C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020232750	1	50	-1.0	-59.06	424.04	6.13	-52.93
COC(=O)C1=CC=C(C(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232751	0	47	-1.0	-51.37	381.57	6.25	-45.12
COC(=O)C1=CC=C(C(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232751	1	47	-1.0	-51.36	381.65	6.26	-45.10
COC(=O)C1=CC=C(C(C)C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020232752	0	53	-1.0	-57.29	403.68	7.99	-49.30
COC(=O)C1=CC=C(C(C)C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020232752	1	53	-1.0	-57.27	403.73	7.99	-49.28
CC1=CN=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020232753	0	37	-1.0	-40.83	334.20	4.21	-36.62
CC1=CN=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020232753	1	37	-1.0	-40.79	334.15	4.19	-36.60
CC1=CN=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232754	0	37	-1.0	-41.44	313.68	3.72	-37.72
CC1=CN=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232754	1	37	-1.0	-41.40	313.62	3.70	-37.70
CC1=CN=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232755	0	34	-1.0	-50.64	299.87	2.86	-47.78
CC1=CN=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232755	1	34	-1.0	-50.59	299.81	2.84	-47.75
CSCC[C@H](NC(=O)NC1=CC(C)=CN=C1Cl)C1=NN=N[N-]1	REAL300020232756	0	37	-1.0	-43.58	342.68	2.78	-40.80
CSCC[C@H](NC(=O)NC1=CC(C)=CN=C1Cl)C1=N[N-]N=N1	REAL300020232756	1	37	-1.0	-43.58	342.62	2.76	-40.82
CC1=CN=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232757	0	34	-1.0	-41.66	301.38	2.89	-38.77
CC1=CN=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232757	1	34	-1.0	-41.72	301.31	2.87	-38.85
CC1=CN=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020232758	0	40	-1.0	-46.60	322.66	4.60	-42.00
CC1=CN=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020232758	1	40	-1.0	-46.54	322.61	4.60	-41.94
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232759	0	42	-2.0	-95.75	374.46	5.21	-90.54
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232759	1	42	-2.0	-95.74	374.52	5.22	-90.52
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020232760	0	39	-2.0	-118.93	358.66	4.10	-114.83
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020232760	1	39	-2.0	-118.92	358.72	4.12	-114.80
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232761	0	39	-2.0	-96.95	359.41	4.15	-92.80
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232761	1	39	-2.0	-96.92	359.48	4.17	-92.75
O=C(NC1=CC(F)=CC(F)=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232762	0	35	-1.0	-39.18	313.47	5.15	-34.03
O=C(NC1=CC(F)=CC(F)=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232762	1	35	-1.0	-39.19	313.52	5.17	-34.02
O=C(NC1=CC(F)=CC(F)=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020232763	0	32	-1.0	-48.30	299.70	4.26	-44.04
O=C(NC1=CC(F)=CC(F)=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020232763	1	32	-1.0	-48.24	299.75	4.29	-43.95
O=C(NC1=CC(F)=CC(F)=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020232764	0	32	-1.0	-39.45	301.09	4.31	-35.14
O=C(NC1=CC(F)=CC(F)=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020232764	1	32	-1.0	-39.48	301.17	4.33	-35.15
O=C([N-]C1=CN=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232765	0	29	-2.0	-77.70	279.91	0.24	-77.46
O=C([N-]C1=CN=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232765	1	29	-2.0	-77.72	279.86	0.21	-77.51
CSCC[C@H](NC(=O)[N-]C1=CN=NS1)C1=N[N-]N=N1	REAL300020232766	0	29	-2.0	-89.49	288.85	-1.20	-90.69
CSCC[C@H](NC(=O)[N-]C1=CN=NS1)C1=NN=N[N-]1	REAL300020232766	1	29	-2.0	-89.52	288.90	-1.19	-90.71
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C2NC=CC2=C1	REAL300020232767	0	42	-1.0	-47.09	352.86	5.77	-41.32
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C2NC=CC2=C1	REAL300020232767	1	42	-1.0	-47.05	352.80	5.74	-41.31
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C2NC=CC2=C1	REAL300020232768	0	42	-1.0	-46.08	331.70	5.15	-40.93
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C2NC=CC2=C1	REAL300020232768	1	42	-1.0	-46.10	331.76	5.16	-40.94
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C2NC=CC2=C1	REAL300020232769	0	39	-1.0	-58.11	318.49	4.32	-53.79
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C2NC=CC2=C1	REAL300020232769	1	39	-1.0	-58.08	318.55	4.32	-53.76
CSCC[C@H](NC(=O)NC1=C(C)C=C2C=CNC2=C1)C1=N[N-]N=N1	REAL300020232770	0	42	-1.0	-49.59	362.06	4.29	-45.30
CSCC[C@H](NC(=O)NC1=C(C)C=C2C=CNC2=C1)C1=NN=N[N-]1	REAL300020232770	1	42	-1.0	-49.58	362.11	4.30	-45.28
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C2NC=CC2=C1	REAL300020232771	0	39	-1.0	-46.60	318.91	4.31	-42.29
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C2NC=CC2=C1	REAL300020232771	1	39	-1.0	-46.63	318.99	4.33	-42.30
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C2NC=CC2=C1	REAL300020232772	0	45	-1.0	-44.66	341.29	5.30	-39.36
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C2NC=CC2=C1	REAL300020232772	1	45	-1.0	-44.67	341.33	5.33	-39.34
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020232773	0	39	-1.0	-53.98	338.90	4.16	-49.82
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020232773	1	39	-1.0	-53.94	338.84	4.13	-49.81
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020232774	0	39	-1.0	-44.19	319.90	3.63	-40.56
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020232774	1	39	-1.0	-44.21	319.96	3.65	-40.56
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020232775	0	36	-1.0	-52.05	304.53	2.74	-49.31
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020232775	1	36	-1.0	-52.06	304.59	2.76	-49.30
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020232776	0	39	-1.0	-46.94	347.74	2.73	-44.21
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020232776	1	39	-1.0	-46.94	347.80	2.74	-44.20
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020232777	0	36	-1.0	-44.11	305.90	2.80	-41.31
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020232777	1	36	-1.0	-44.09	305.97	2.80	-41.29
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020232778	0	42	-1.0	-39.54	332.24	3.83	-35.71
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020232778	1	42	-1.0	-39.57	332.28	3.83	-35.74
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC)=C1	REAL300020232779	0	45	-1.0	-44.36	386.27	4.89	-39.47
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC)=C1	REAL300020232779	1	45	-1.0	-44.37	386.22	4.86	-39.51
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300020232780	0	45	-1.0	-43.91	366.54	4.36	-39.55
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020232780	1	45	-1.0	-43.95	366.60	4.37	-39.58
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OC)=C1	REAL300020232781	0	42	-1.0	-52.10	351.12	3.45	-48.65
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OC)=C1	REAL300020232781	1	42	-1.0	-52.08	351.18	3.47	-48.61
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020232782	0	45	-1.0	-46.22	394.64	3.41	-42.81
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020232782	1	45	-1.0	-46.19	394.69	3.42	-42.77
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020232783	0	42	-1.0	-43.40	353.32	3.50	-39.90
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020232783	1	42	-1.0	-43.45	353.39	3.51	-39.94
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=C1	REAL300020232784	0	48	-1.0	-43.01	378.55	4.62	-38.39
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=C1	REAL300020232784	1	48	-1.0	-43.05	378.68	4.63	-38.42
CN1N=CC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C21	REAL300020232785	0	41	-1.0	-50.89	352.06	4.76	-46.13
CN1N=CC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C21	REAL300020232785	1	41	-1.0	-50.94	352.00	4.74	-46.20
CN1N=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300020232786	0	41	-1.0	-45.43	332.34	4.23	-41.20
CN1N=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300020232786	1	41	-1.0	-45.44	332.29	4.21	-41.23
CN1N=CC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020232787	0	38	-1.0	-54.35	317.02	3.33	-51.02
CN1N=CC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020232787	1	38	-1.0	-54.40	316.96	3.31	-51.09
CSCC[C@H](NC(=O)NC1=C2C=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300020232788	0	41	-1.0	-48.52	361.28	3.30	-45.22
CSCC[C@H](NC(=O)NC1=C2C=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL300020232788	1	41	-1.0	-48.53	361.22	3.28	-45.25
CN1N=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020232789	0	38	-1.0	-45.80	319.14	3.38	-42.42
CN1N=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020232789	1	38	-1.0	-45.81	319.06	3.37	-42.44
CN1N=CC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020232790	0	44	-1.0	-44.37	344.25	4.33	-40.04
CN1N=CC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020232790	1	44	-1.0	-44.36	344.21	4.32	-40.04
O=C(NC1=CC=C(OC2COC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232791	0	44	-1.0	-49.53	371.68	3.59	-45.94
O=C(NC1=CC=C(OC2COC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232791	1	44	-1.0	-49.48	371.62	3.56	-45.92
O=C(NC1=CC=C(OC2COC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232792	0	44	-1.0	-44.65	352.48	3.04	-41.61
O=C(NC1=CC=C(OC2COC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232792	1	44	-1.0	-44.64	352.54	3.05	-41.59
O=C(NC1=CC=C(OC2COC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232793	0	41	-1.0	-53.45	336.28	2.19	-51.26
O=C(NC1=CC=C(OC2COC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232793	1	41	-1.0	-53.42	336.34	2.21	-51.21
CSCC[C@H](NC(=O)NC1=CC=C(OC2COC2)C=C1)C1=N[N-]N=N1	REAL300020232794	0	44	-1.0	-48.37	379.96	2.15	-46.22
CSCC[C@H](NC(=O)NC1=CC=C(OC2COC2)C=C1)C1=NN=N[N-]1	REAL300020232794	1	44	-1.0	-48.36	380.02	2.17	-46.19
O=C(NC1=CC=C(OC2COC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232795	0	41	-1.0	-44.60	337.79	2.24	-42.36
O=C(NC1=CC=C(OC2COC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232795	1	41	-1.0	-44.60	337.87	2.26	-42.34
O=C(NC1=CC=C(OC2COC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232796	0	47	-1.0	-40.79	362.12	3.16	-37.63
O=C(NC1=CC=C(OC2COC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232796	1	47	-1.0	-40.78	362.17	3.17	-37.61
N#CCCCN1C(=O)CCC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020232797	0	50	-1.0	-64.35	408.49	6.49	-57.86
N#CCCCN1C(=O)CCC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020232797	1	50	-1.0	-64.36	408.54	6.51	-57.85
N#CCCCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020232798	0	50	-1.0	-53.19	409.87	6.55	-46.64
N#CCCCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020232798	1	50	-1.0	-53.19	409.94	6.55	-46.64
CCC1(C)OC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2O1	REAL300020232799	0	47	-1.0	-49.22	384.82	5.60	-43.62
CCC1(C)OC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2O1	REAL300020232799	1	47	-1.0	-49.23	384.77	5.57	-43.66
CCC1(C)OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2O1	REAL300020232800	0	47	-1.0	-44.00	370.04	5.41	-38.59
CCC1(C)OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2O1	REAL300020232800	1	47	-1.0	-44.01	370.10	5.42	-38.59
CCC1(C)OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2O1	REAL300020232801	0	44	-1.0	-53.09	350.75	4.13	-48.96
CCC1(C)OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2O1	REAL300020232801	1	44	-1.0	-53.10	350.80	4.15	-48.95
CCC1(C)OC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2O1	REAL300020232802	0	47	-1.0	-50.34	394.30	4.09	-46.25
CCC1(C)OC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2O1	REAL300020232802	1	47	-1.0	-50.36	394.35	4.11	-46.25
CCC1(C)OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020232803	0	44	-1.0	-48.38	352.14	4.18	-44.20
CCC1(C)OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020232803	1	44	-1.0	-48.37	352.21	4.20	-44.17
CCC1(C)OC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2O1	REAL300020232804	0	50	-1.0	-43.40	378.53	5.22	-38.18
CCC1(C)OC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2O1	REAL300020232804	1	50	-1.0	-43.44	378.57	5.24	-38.20
O=C(NC1=CC(Cl)=CC=C1OCC1CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232805	0	49	-1.0	-43.70	398.33	7.31	-36.39
O=C(NC1=CC(Cl)=CC=C1OCC1CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232805	1	49	-1.0	-43.70	398.39	7.32	-36.38
O=C(NC1=CC(Cl)=CC=C1OCC1CCC1)N1CCCC1C1=N[N-]N=N1	REAL300020232806	0	46	-1.0	-55.15	384.12	6.36	-48.79
O=C(NC1=CC(Cl)=CC=C1OCC1CCC1)N1CCCC1C1=NN=N[N-]1	REAL300020232806	1	46	-1.0	-55.12	384.18	6.39	-48.73
O=C(NC1=CC(Cl)=CC=C1OCC1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232807	0	46	-1.0	-43.87	385.49	6.41	-37.46
O=C(NC1=CC(Cl)=CC=C1OCC1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232807	1	46	-1.0	-43.85	385.56	6.42	-37.43
CN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(F)(F)F	REAL300020232808	0	38	-1.0	-40.53	337.58	3.42	-37.11
CN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(F)(F)F	REAL300020232808	1	38	-1.0	-40.51	337.52	3.39	-37.12
CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(F)(F)F	REAL300020232809	0	38	-1.0	-41.57	319.60	2.97	-38.60
CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(F)(F)F	REAL300020232809	1	38	-1.0	-41.58	319.55	2.95	-38.63
CN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(F)(F)F	REAL300020232810	0	35	-1.0	-50.43	302.96	2.04	-48.39
CN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(F)(F)F	REAL300020232810	1	35	-1.0	-50.47	302.90	2.03	-48.44
CSCC[C@H](NC(=O)NC1=C(C(F)(F)F)N(C)N=C1)C1=NN=N[N-]1	REAL300020232811	0	38	-1.0	-44.18	346.56	2.00	-42.18
CSCC[C@H](NC(=O)NC1=C(C(F)(F)F)N(C)N=C1)C1=N[N-]N=N1	REAL300020232811	1	38	-1.0	-44.16	346.50	1.99	-42.17
CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020232812	0	35	-1.0	-41.34	305.68	2.11	-39.23
CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020232812	1	35	-1.0	-41.33	305.60	2.10	-39.23
CN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(F)(F)F	REAL300020232813	0	41	-1.0	-47.71	326.95	3.94	-43.77
CN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(F)(F)F	REAL300020232813	1	41	-1.0	-47.68	326.90	3.93	-43.75
CC1=CC=C(N2C=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=N2)C(C)=C1	REAL300020232814	0	48	-1.0	-52.71	403.77	7.62	-45.09
CC1=CC=C(N2C=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=N2)C(C)=C1	REAL300020232814	1	48	-1.0	-52.71	403.72	7.60	-45.11
CC1=CC=C(N2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)C(C)=C1	REAL300020232815	0	48	-1.0	-46.29	384.42	7.16	-39.13
CC1=CC=C(N2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)C(C)=C1	REAL300020232815	1	48	-1.0	-46.30	384.36	7.14	-39.16
CC1=CC=C(N2C=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)C(C)=C1	REAL300020232816	0	45	-1.0	-58.02	363.76	6.19	-51.83
CC1=CC=C(N2C=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)C(C)=C1	REAL300020232816	1	45	-1.0	-58.02	363.70	6.17	-51.85
CSCC[C@H](NC(=O)NC1=CN(C2=CC=C(C)C=C2C)N=C1)C1=NN=N[N-]1	REAL300020232817	0	48	-1.0	-50.62	407.37	6.15	-44.47
CSCC[C@H](NC(=O)NC1=CN(C2=CC=C(C)C=C2C)N=C1)C1=N[N-]N=N1	REAL300020232817	1	48	-1.0	-50.65	407.31	6.13	-44.52
CC1=CC=C(N2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C(C)=C1	REAL300020232818	0	45	-1.0	-47.33	365.21	6.21	-41.12
CC1=CC=C(N2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C(C)=C1	REAL300020232818	1	45	-1.0	-47.31	365.13	6.20	-41.11
CC1=CC=C(N2C=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)C(C)=C1	REAL300020232819	0	51	-1.0	-54.32	387.00	7.98	-46.34
CC1=CC=C(N2C=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)C(C)=C1	REAL300020232819	1	51	-1.0	-54.30	386.96	7.97	-46.33
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)C=C1C	REAL300020232820	0	47	-1.0	-45.26	392.06	6.89	-38.37
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)C=C1C	REAL300020232820	1	47	-1.0	-45.28	392.01	6.86	-38.42
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)C=C1C	REAL300020232821	0	47	-1.0	-47.44	372.39	6.37	-41.07
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)C=C1C	REAL300020232821	1	47	-1.0	-47.46	372.45	6.39	-41.07
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(C)C=C1C	REAL300020232822	0	44	-1.0	-56.57	356.84	5.41	-51.16
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(C)C=C1C	REAL300020232822	1	44	-1.0	-56.59	356.89	5.44	-51.15
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C)C=C1C	REAL300020232823	0	47	-1.0	-49.36	400.32	5.38	-43.98
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C)C=C1C	REAL300020232823	1	47	-1.0	-49.38	400.37	5.40	-43.98
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)C=C1C	REAL300020232824	0	44	-1.0	-47.64	358.15	5.47	-42.17
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)C=C1C	REAL300020232824	1	44	-1.0	-47.64	358.22	5.48	-42.16
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)C=C1C	REAL300020232825	0	50	-1.0	-53.04	380.07	7.21	-45.83
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)C=C1C	REAL300020232825	1	50	-1.0	-53.05	380.12	7.21	-45.84
O=C(NC1=CC(Br)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232826	0	35	-1.0	-40.09	315.91	5.06	-35.03
O=C(NC1=CC(Br)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232826	1	35	-1.0	-40.14	315.96	5.07	-35.07
O=C(NC1=CC(Br)=C(F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020232827	0	32	-1.0	-48.21	300.60	4.15	-44.06
O=C(NC1=CC(Br)=C(F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020232827	1	32	-1.0	-48.22	300.66	4.17	-44.05
O=C(NC1=CC(Br)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020232828	0	32	-1.0	-40.39	302.77	4.20	-36.19
O=C(NC1=CC(Br)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020232828	1	32	-1.0	-40.42	302.84	4.21	-36.21
CC(=O)N1CCN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)CC1	REAL300020232829	0	54	-1.0	-49.09	410.48	4.41	-44.68
CC(=O)N1CCN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CC1	REAL300020232829	1	54	-1.0	-49.02	410.54	4.42	-44.60
CC(=O)N1CCN(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)CC1	REAL300020232830	0	51	-1.0	-61.92	395.61	3.40	-58.52
CC(=O)N1CCN(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)CC1	REAL300020232830	1	51	-1.0	-61.89	395.66	3.41	-58.48
CC(=O)N1CCN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020232831	0	51	-1.0	-48.84	396.88	3.47	-45.37
CC(=O)N1CCN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020232831	1	51	-1.0	-48.82	396.95	3.48	-45.34
CCC1(CC)OC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2O1	REAL300020232832	0	50	-1.0	-42.22	404.50	6.30	-35.92
CCC1(CC)OC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2O1	REAL300020232832	1	50	-1.0	-42.21	404.55	6.32	-35.89
CCC1(CC)OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2O1	REAL300020232833	0	50	-1.0	-42.91	383.95	5.90	-37.01
CCC1(CC)OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2O1	REAL300020232833	1	50	-1.0	-42.93	384.01	5.92	-37.01
CCC1(CC)OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2O1	REAL300020232834	0	47	-1.0	-57.96	370.00	4.93	-53.03
CCC1(CC)OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2O1	REAL300020232834	1	47	-1.0	-57.96	370.06	4.95	-53.01
CCC1(CC)OC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2O1	REAL300020232835	0	50	-1.0	-46.85	413.53	4.89	-41.96
CCC1(CC)OC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2O1	REAL300020232835	1	50	-1.0	-46.85	413.59	4.91	-41.94
CCC1(CC)OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020232836	0	47	-1.0	-44.04	371.40	4.98	-39.06
CCC1(CC)OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020232836	1	47	-1.0	-44.06	371.47	4.99	-39.07
CCC1(CC)OC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2O1	REAL300020232837	0	53	-1.0	-43.67	397.77	6.03	-37.64
CCC1(CC)OC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2O1	REAL300020232837	1	53	-1.0	-43.70	397.81	6.04	-37.66
CC(=O)N1CCN(CC2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300020232838	0	54	-1.0	-55.90	407.73	3.96	-51.94
CC(=O)N1CCN(CC2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300020232838	1	54	-1.0	-55.95	407.78	3.99	-51.96
CC(=O)N1CCN(CC2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020232839	0	54	-1.0	-56.54	408.40	3.96	-52.58
CC(=O)N1CCN(CC2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020232839	1	54	-1.0	-56.56	408.48	3.97	-52.59
O=C(NC1=CC=C(Cl)C=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232840	0	45	-1.0	-41.36	376.27	8.83	-32.53
O=C(NC1=CC=C(Cl)C=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232840	1	45	-1.0	-41.36	376.33	8.85	-32.51
O=C(NC1=CC=C(Cl)C=C1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232841	0	42	-1.0	-51.82	362.35	7.95	-43.87
O=C(NC1=CC=C(Cl)C=C1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232841	1	42	-1.0	-51.76	362.41	7.97	-43.79
O=C(NC1=CC=C(Cl)C=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232842	0	42	-1.0	-41.21	363.69	8.01	-33.20
O=C(NC1=CC=C(Cl)C=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232842	1	42	-1.0	-41.22	363.76	8.02	-33.20
O=C(NC1=CC=C(Cl)C=C1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232843	0	48	-1.0	-38.84	384.28	8.78	-30.06
O=C(NC1=CC=C(Cl)C=C1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232843	1	48	-1.0	-38.83	384.30	8.80	-30.03
CC(C)(C)N1C=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232844	0	46	-1.0	-46.10	380.51	7.84	-38.26
CC(C)(C)N1C=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232844	1	46	-1.0	-46.12	380.45	7.81	-38.31
CC(C)(C)N1C=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232845	0	46	-1.0	-47.39	361.26	7.35	-40.04
CC(C)(C)N1C=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232845	1	46	-1.0	-47.42	361.32	7.37	-40.05
CC(C)(C)N1C=C(C#N)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232846	0	43	-1.0	-59.91	345.83	6.42	-53.49
CC(C)(C)N1C=C(C#N)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232846	1	43	-1.0	-59.90	345.89	6.45	-53.45
CSCC[C@H](NC(=O)NC1=CC(C#N)=CN1C(C)(C)C)C1=N[N-]N=N1	REAL300020232847	0	46	-1.0	-51.86	389.45	6.40	-45.46
CSCC[C@H](NC(=O)NC1=CC(C#N)=CN1C(C)(C)C)C1=NN=N[N-]1	REAL300020232847	1	46	-1.0	-51.87	389.51	6.41	-45.46
CC(C)(C)N1C=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232848	0	43	-1.0	-48.72	347.29	6.46	-42.26
CC(C)(C)N1C=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232848	1	43	-1.0	-48.68	347.36	6.48	-42.20
CC(C)(C)N1C=C(C#N)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232849	0	49	-1.0	-56.65	369.27	8.24	-48.41
CC(C)(C)N1C=C(C#N)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232849	1	49	-1.0	-56.63	369.31	8.24	-48.39
CC(C)C1=NN=C2C=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN21	REAL300020232850	0	46	-1.0	-47.00	390.61	6.91	-40.09
CC(C)C1=NN=C2C=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN21	REAL300020232850	1	46	-1.0	-47.00	390.55	6.88	-40.12
CC(C)C1=NN=C2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN21	REAL300020232851	0	46	-1.0	-47.77	366.09	6.29	-41.48
CC(C)C1=NN=C2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN21	REAL300020232851	1	46	-1.0	-47.77	366.15	6.30	-41.47
CC(C)C1=NN=C2C=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CN21	REAL300020232852	0	43	-1.0	-56.75	355.60	5.54	-51.21
CC(C)C1=NN=C2C=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CN21	REAL300020232852	1	43	-1.0	-56.82	355.66	5.56	-51.26
CSCC[C@H](NC(=O)NC1=CN2C(=NN=C2C(C)C)C=C1)C1=N[N-]N=N1	REAL300020232853	0	46	-1.0	-49.36	399.14	5.50	-43.86
CSCC[C@H](NC(=O)NC1=CN2C(=NN=C2C(C)C)C=C1)C1=NN=N[N-]1	REAL300020232853	1	46	-1.0	-49.39	399.20	5.51	-43.88
CC(C)C1=NN=C2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CN21	REAL300020232854	0	43	-1.0	-48.35	356.99	5.60	-42.75
CC(C)C1=NN=C2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CN21	REAL300020232854	1	43	-1.0	-48.35	357.07	5.61	-42.74
CC(C)C1=NN=C2C=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CN21	REAL300020232855	0	49	-1.0	-40.65	380.76	6.59	-34.06
CC(C)C1=NN=C2C=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CN21	REAL300020232855	1	49	-1.0	-40.69	380.80	6.60	-34.09
CC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020232856	0	45	-1.0	-40.01	387.09	6.29	-33.72
CC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020232856	1	45	-1.0	-40.02	387.14	6.31	-33.71
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020232857	0	45	-1.0	-41.75	369.99	5.86	-35.89
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020232857	1	45	-1.0	-41.74	370.05	5.87	-35.87
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020232858	0	42	-1.0	-50.30	353.40	4.92	-45.38
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020232858	1	42	-1.0	-50.34	353.45	4.94	-45.40
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C=C1Cl)C1=N[N-]N=N1	REAL300020232859	0	45	-1.0	-43.76	397.07	4.87	-38.89
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C=C1Cl)C1=NN=N[N-]1	REAL300020232859	1	45	-1.0	-43.79	397.12	4.89	-38.90
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020232860	0	42	-1.0	-41.10	355.98	5.01	-36.09
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020232860	1	42	-1.0	-41.10	356.05	5.02	-36.08
CC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020232861	0	48	-1.0	-40.96	376.97	5.86	-35.10
CC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020232861	1	48	-1.0	-40.98	377.02	5.88	-35.10
CN1C=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020232862	0	42	-1.0	-45.07	357.12	6.52	-38.55
CN1C=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020232862	1	42	-1.0	-45.11	357.06	6.50	-38.61
CN1C=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020232863	0	42	-1.0	-47.09	337.86	6.04	-41.05
CN1C=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020232863	1	42	-1.0	-47.07	337.92	6.06	-41.01
CN1C=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020232864	0	39	-1.0	-59.25	322.30	5.16	-54.09
CN1C=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020232864	1	39	-1.0	-59.22	322.36	5.17	-54.05
CSCC[C@H](NC(=O)NC1=CC=C2C=CN(C)C2=C1)C1=N[N-]N=N1	REAL300020232865	0	42	-1.0	-49.69	366.13	5.09	-44.60
CSCC[C@H](NC(=O)NC1=CC=C2C=CN(C)C2=C1)C1=NN=N[N-]1	REAL300020232865	1	42	-1.0	-49.71	366.18	5.10	-44.61
CN1C=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020232866	0	39	-1.0	-47.25	323.70	5.20	-42.05
CN1C=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020232866	1	39	-1.0	-47.24	323.77	5.21	-42.03
CN1C=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020232867	0	45	-1.0	-45.98	350.23	6.18	-39.80
CN1C=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020232867	1	45	-1.0	-46.02	350.27	6.20	-39.82
O=C(NC1=C(F)C=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232868	0	35	-1.0	-43.01	315.45	5.19	-37.82
O=C(NC1=C(F)C=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232868	1	35	-1.0	-43.01	315.51	5.20	-37.81
O=C(NC1=C(F)C=C(F)C=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020232869	0	32	-1.0	-50.46	306.06	4.45	-46.01
O=C(NC1=C(F)C=C(F)C=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020232869	1	32	-1.0	-50.44	306.11	4.48	-45.96
O=C(NC1=C(F)C=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020232870	0	32	-1.0	-42.52	307.45	4.51	-38.01
O=C(NC1=C(F)C=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020232870	1	32	-1.0	-42.53	307.52	4.52	-38.01
NC1=C(Cl)C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020232871	0	37	-1.0	-41.03	347.17	3.78	-37.25
NC1=C(Cl)C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020232871	1	37	-1.0	-41.00	347.11	3.75	-37.25
NC1=C(Cl)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020232872	0	37	-1.0	-42.54	328.03	3.28	-39.26
NC1=C(Cl)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020232872	1	37	-1.0	-42.54	328.09	3.30	-39.24
NC1=C(Cl)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020232873	0	34	-1.0	-51.17	312.19	2.41	-48.76
NC1=C(Cl)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020232873	1	34	-1.0	-51.15	312.25	2.43	-48.72
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(N)C(Cl)=C1)C1=N[N-]N=N1	REAL300020232874	0	37	-1.0	-46.05	355.87	2.37	-43.68
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(N)C(Cl)=C1)C1=NN=N[N-]1	REAL300020232874	1	37	-1.0	-46.09	355.93	2.39	-43.70
NC1=C(Cl)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020232875	0	34	-1.0	-42.74	313.71	2.46	-40.28
NC1=C(Cl)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020232875	1	34	-1.0	-42.73	313.78	2.47	-40.26
NC1=C(Cl)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020232876	0	40	-1.0	-48.09	335.86	4.29	-43.80
NC1=C(Cl)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020232876	1	40	-1.0	-48.06	335.91	4.31	-43.75
CS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020232877	0	41	-1.0	-47.12	354.70	2.19	-44.93
CS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020232877	1	41	-1.0	-47.08	354.76	2.21	-44.87
CS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020232878	0	38	-1.0	-55.03	338.97	1.32	-53.71
CS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020232878	1	38	-1.0	-55.01	339.03	1.34	-53.67
CS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020232879	0	38	-1.0	-55.25	340.32	1.37	-53.88
CS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020232879	1	38	-1.0	-55.26	340.39	1.38	-53.88
CS(=O)(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020232880	0	44	-1.0	-48.18	367.08	2.39	-45.79
CS(=O)(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020232880	1	44	-1.0	-48.18	367.11	2.40	-45.78
O=C(NC1=CSC(Cl)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232881	0	32	-1.0	-44.32	310.35	4.36	-39.96
O=C(NC1=CSC(Cl)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232881	1	32	-1.0	-44.28	310.29	4.34	-39.94
O=C(NC1=CSC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232882	0	32	-1.0	-43.64	290.94	3.85	-39.79
O=C(NC1=CSC(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232882	1	32	-1.0	-43.65	291.00	3.87	-39.78
CSCC[C@H](NC(=O)NC1=CSC(Cl)=C1)C1=N[N-]N=N1	REAL300020232883	0	32	-1.0	-45.34	319.23	2.88	-42.46
CSCC[C@H](NC(=O)NC1=CSC(Cl)=C1)C1=NN=N[N-]1	REAL300020232883	1	32	-1.0	-45.31	319.28	2.90	-42.41
O=C(NC1=CSC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232884	0	35	-1.0	-47.26	299.46	4.73	-42.53
O=C(NC1=CSC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232884	1	35	-1.0	-47.25	299.51	4.73	-42.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C=C1N1C=CC=N1	REAL300020232885	0	42	-1.0	-44.94	372.98	7.23	-37.71
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C=C1N1C=CC=N1	REAL300020232885	1	42	-1.0	-44.94	372.92	7.20	-37.74
O=C(NC1=CC=C(Cl)C=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232886	0	42	-1.0	-44.21	353.80	6.75	-37.46
O=C(NC1=CC=C(Cl)C=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232886	1	42	-1.0	-44.17	353.74	6.73	-37.44
O=C(NC1=CC=C(Cl)C=C1N1C=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020232887	0	39	-1.0	-54.69	338.77	5.83	-48.86
O=C(NC1=CC=C(Cl)C=C1N1C=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020232887	1	39	-1.0	-54.68	338.71	5.81	-48.87
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1N1C=CC=N1)C1=NN=N[N-]1	REAL300020232888	0	42	-1.0	-48.30	382.67	5.74	-42.56
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1N1C=CC=N1)C1=N[N-]N=N1	REAL300020232888	1	42	-1.0	-48.27	382.61	5.73	-42.54
O=C(NC1=CC=C(Cl)C=C1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232889	0	39	-1.0	-44.15	340.30	5.87	-38.28
O=C(NC1=CC=C(Cl)C=C1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232889	1	39	-1.0	-44.09	340.22	5.86	-38.23
O=C(NC1=CC=C(Cl)C=C1N1C=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232890	0	45	-1.0	-51.43	361.63	7.65	-43.78
O=C(NC1=CC=C(Cl)C=C1N1C=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232890	1	45	-1.0	-51.45	361.58	7.65	-43.80
CCCC1=CC=CC(C(C)C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232891	0	53	-1.0	-40.86	407.21	8.52	-32.34
CCCC1=CC=CC(C(C)C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232891	1	53	-1.0	-40.87	407.16	8.50	-32.37
CCCC1=CC=CC(C(C)C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232892	0	53	-1.0	-43.24	401.52	8.55	-34.69
CCCC1=CC=CC(C(C)C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232892	1	53	-1.0	-43.25	401.58	8.57	-34.68
CCCC1=CC=CC(C(C)C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232893	0	50	-1.0	-50.11	374.51	7.05	-43.06
CCCC1=CC=CC(C(C)C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232893	1	50	-1.0	-50.07	374.56	7.06	-43.01
CCCC1=CC=CC(C(C)C)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020232894	0	53	-1.0	-47.63	428.52	7.42	-40.21
CCCC1=CC=CC(C(C)C)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020232894	1	53	-1.0	-47.63	428.58	7.44	-40.19
CCCC1=CC=CC(C(C)C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232895	0	50	-1.0	-41.88	380.39	7.22	-34.66
CCCC1=CC=CC(C(C)C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232895	1	50	-1.0	-41.86	380.47	7.22	-34.64
CCCC1=CC=CC(C(C)C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232896	0	56	-1.0	-47.74	397.41	8.36	-39.38
CCCC1=CC=CC(C(C)C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232896	1	56	-1.0	-47.68	397.26	8.36	-39.32
CC(C)(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232897	0	52	-1.0	-49.65	412.22	9.25	-40.40
CC(C)(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232897	1	52	-1.0	-49.68	412.16	9.23	-40.45
CC(C)(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232898	0	49	-1.0	-60.82	396.81	8.34	-52.48
CC(C)(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232898	1	49	-1.0	-60.82	396.75	8.31	-52.51
CC(C)(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232899	0	49	-1.0	-49.37	398.27	8.38	-40.99
CC(C)(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232899	1	49	-1.0	-49.34	398.20	8.36	-40.98
O=C([N-]C1=NC=C(C(F)(F)F)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232900	0	33	-2.0	-93.04	327.19	3.36	-89.68
O=C([N-]C1=NC=C(C(F)(F)F)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232900	1	33	-2.0	-93.03	327.13	3.34	-89.69
O=C(NC1=NC=C(C(F)(F)F)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232900	1	34	-1.0	-43.12	330.45	4.56	-38.56
O=C(NC1=NC=C(C(F)(F)F)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232900	1	34	-1.0	-43.10	330.40	4.54	-38.56
O=C(NC1=NC=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232901	0	34	-1.0	-44.94	311.23	4.08	-40.86
O=C(NC1=NC=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232901	1	34	-1.0	-44.94	311.17	4.06	-40.88
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232901	1	33	-2.0	-84.48	310.20	3.23	-81.25
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232901	1	33	-2.0	-84.47	310.14	3.22	-81.25
O=C(NC1=NC=C(C(F)(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020232902	0	31	-1.0	-54.52	295.82	3.17	-51.35
O=C(NC1=NC=C(C(F)(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020232902	1	31	-1.0	-54.54	295.76	3.15	-51.39
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020232902	1	30	-2.0	-105.38	294.35	2.11	-103.27
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020232902	1	30	-2.0	-105.38	294.41	2.14	-103.24
CSCC[C@H](NC(=O)NC1=NC=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL300020232903	0	34	-1.0	-47.53	339.42	3.14	-44.39
CSCC[C@H](NC(=O)NC1=NC=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL300020232903	1	34	-1.0	-47.54	339.36	3.12	-44.42
CSCC[C@H](NC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL300020232903	1	33	-2.0	-95.91	336.11	1.92	-93.99
CSCC[C@H](NC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL300020232903	1	33	-2.0	-95.89	336.17	1.94	-93.95
O=C(NC1=NC=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232904	0	31	-1.0	-45.28	297.30	3.23	-42.05
O=C(NC1=NC=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232904	1	31	-1.0	-45.24	297.22	3.21	-42.03
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232904	1	30	-2.0	-85.65	295.15	2.19	-83.46
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232904	1	30	-2.0	-85.68	295.08	2.18	-83.50
O=C(NC1=NC=C(C(F)(F)F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232905	0	37	-1.0	-49.94	319.73	4.95	-44.99
O=C(NC1=NC=C(C(F)(F)F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232905	1	37	-1.0	-49.94	319.68	4.93	-45.01
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232905	1	36	-2.0	-102.20	318.72	4.10	-98.10
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232905	1	36	-2.0	-102.18	318.67	4.09	-98.09
CC1=CC(C)=NC(N2N=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020232906	0	46	-1.0	-47.13	392.76	8.45	-38.68
CC1=CC(C)=NC(N2N=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020232906	1	46	-1.0	-47.12	392.70	8.42	-38.70
CC1=CC(C)=NC(N2N=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020232907	0	46	-1.0	-48.95	373.54	7.95	-41.00
CC1=CC(C)=NC(N2N=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020232907	1	46	-1.0	-48.94	373.48	7.94	-41.00
CC1=CC(C)=NC(N2N=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020232908	0	43	-1.0	-59.67	358.12	7.04	-52.63
CC1=CC(C)=NC(N2N=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020232908	1	43	-1.0	-59.63	358.06	7.04	-52.59
CSCC[C@H](NC(=O)NC1=CC=NN1C1=NC(C)=CC(C)=N1)C1=NN=N[N-]1	REAL300020232909	0	46	-1.0	-52.00	401.74	7.02	-44.98
CSCC[C@H](NC(=O)NC1=CC=NN1C1=NC(C)=CC(C)=N1)C1=N[N-]N=N1	REAL300020232909	1	46	-1.0	-51.99	401.68	7.01	-44.98
CC1=CC(C)=NC(N2N=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020232910	0	43	-1.0	-48.53	359.61	7.10	-41.43
CC1=CC(C)=NC(N2N=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020232910	1	43	-1.0	-48.53	359.54	7.08	-41.45
CC1=CC(C)=NC(N2N=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020232911	0	49	-1.0	-57.26	382.13	8.95	-48.31
CC1=CC(C)=NC(N2N=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020232911	1	49	-1.0	-57.28	382.07	8.94	-48.34
O=C(NC1=CC=C(OC(F)F)C2=CC=CN=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232912	0	44	-1.0	-48.85	361.22	4.53	-44.32
O=C(NC1=CC=C(OC(F)F)C2=CC=CN=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232912	1	44	-1.0	-48.85	361.17	4.52	-44.33
O=C(NC1=CC=C(OC(F)F)C2=CC=CN=C12)N1CCCC1C1=NN=N[N-]1	REAL300020232913	0	41	-1.0	-60.18	346.50	3.60	-56.58
O=C(NC1=CC=C(OC(F)F)C2=CC=CN=C12)N1CCCC1C1=N[N-]N=N1	REAL300020232913	1	41	-1.0	-60.19	346.44	3.59	-56.60
O=C(NC1=CC=C(OC(F)F)C2=CC=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020232914	0	41	-1.0	-49.28	348.68	3.62	-45.66
O=C(NC1=CC=C(OC(F)F)C2=CC=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020232914	1	41	-1.0	-49.25	348.61	3.61	-45.64
O=C(NC1=CC=CN=C1C1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232915	0	41	-1.0	-42.51	358.31	6.00	-36.51
O=C(NC1=CC=CN=C1C1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232915	1	41	-1.0	-42.50	358.25	5.99	-36.51
O=C(NC1=CC=CN=C1C1=CC=C(Cl)S1)N1CCCC1C1=NN=N[N-]1	REAL300020232916	0	38	-1.0	-50.69	345.56	5.38	-45.31
O=C(NC1=CC=CN=C1C1=CC=C(Cl)S1)N1CCCC1C1=N[N-]N=N1	REAL300020232916	1	38	-1.0	-50.64	345.50	5.36	-45.28
O=C(NC1=CC=CN=C1C1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232917	0	38	-1.0	-41.52	346.95	5.40	-36.12
O=C(NC1=CC=CN=C1C1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232917	1	38	-1.0	-41.51	346.87	5.39	-36.12
CC1=CC=C(I)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232918	0	35	-1.0	-53.45	314.08	5.33	-48.12
CC1=CC=C(I)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232918	1	35	-1.0	-53.48	314.14	5.36	-48.12
CC1=CC=C(I)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232919	0	35	-1.0	-44.70	315.42	5.38	-39.32
CC1=CC=C(I)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232919	1	35	-1.0	-44.71	315.49	5.40	-39.31
CC1=CC=C(C(=O)NCC2CC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232920	0	52	-1.0	-53.99	409.85	5.78	-48.21
CC1=CC=C(C(=O)NCC2CC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232920	1	52	-1.0	-54.02	409.91	5.79	-48.23
CC1=CC=C(C(=O)NCC2CC2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232921	0	49	-1.0	-67.95	395.77	4.89	-63.06
CC1=CC=C(C(=O)NCC2CC2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232921	1	49	-1.0	-67.92	395.82	4.92	-63.00
CC1=CC=C(C(=O)NCC2CC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232922	0	49	-1.0	-56.98	398.16	4.99	-51.99
CC1=CC=C(C(=O)NCC2CC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232922	1	49	-1.0	-57.03	398.23	5.00	-52.03
CC1=CC=C(C(=O)NCC2CC2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232923	0	55	-1.0	-62.52	418.71	6.66	-55.86
CC1=CC=C(C(=O)NCC2CC2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232923	1	55	-1.0	-62.49	418.77	6.66	-55.83
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=NC=CC=C12	REAL300020232924	0	44	-1.0	-54.66	370.81	4.73	-49.93
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=NC=CC=C12	REAL300020232924	1	44	-1.0	-54.66	370.75	4.71	-49.95
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=NC=CC=C12	REAL300020232925	0	44	-1.0	-45.68	351.43	4.25	-41.43
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=NC=CC=C12	REAL300020232925	1	44	-1.0	-45.68	351.37	4.24	-41.44
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020232926	0	41	-1.0	-56.45	336.70	3.31	-53.14
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020232926	1	41	-1.0	-56.42	336.64	3.30	-53.12
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020232927	0	44	-1.0	-49.73	381.04	3.28	-46.45
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020232927	1	44	-1.0	-49.73	380.98	3.25	-46.48
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020232928	0	41	-1.0	-46.17	338.89	3.34	-42.83
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NC=CC=C12	REAL300020232928	1	41	-1.0	-46.11	338.81	3.33	-42.78
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=NC=CC=C12	REAL300020232929	0	47	-1.0	-52.88	360.21	5.11	-47.77
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=NC=CC=C12	REAL300020232929	1	47	-1.0	-52.89	360.16	5.10	-47.79
C#CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232930	0	41	-1.0	-43.68	358.36	5.69	-37.99
C#CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232930	1	41	-1.0	-43.66	358.30	5.66	-38.00
C#CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232931	0	41	-1.0	-45.47	339.57	5.19	-40.28
C#CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232931	1	41	-1.0	-45.44	339.62	5.20	-40.24
C#CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232932	0	38	-1.0	-55.56	324.14	4.28	-51.28
C#CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232932	1	38	-1.0	-55.55	324.20	4.29	-51.26
C#CCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020232933	0	41	-1.0	-49.30	367.66	4.23	-45.07
C#CCOC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020232933	1	41	-1.0	-49.36	367.72	4.24	-45.12
C#CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232934	0	38	-1.0	-45.20	325.49	4.33	-40.87
C#CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232934	1	38	-1.0	-45.18	325.56	4.35	-40.83
C#CCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232935	0	44	-1.0	-45.44	351.83	5.43	-40.01
C#CCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232935	1	44	-1.0	-45.42	351.87	5.44	-39.98
COC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020232936	0	42	-1.0	-55.83	356.37	5.02	-50.81
COC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020232936	1	42	-1.0	-55.83	356.31	5.00	-50.83
COC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020232937	0	42	-1.0	-47.30	336.90	4.49	-42.81
COC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020232937	1	42	-1.0	-47.30	336.95	4.51	-42.79
COC1=CC(C)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020232938	0	39	-1.0	-58.23	322.00	3.59	-54.64
COC1=CC(C)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020232938	1	39	-1.0	-58.20	322.06	3.61	-54.59
COC1=CC(C)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020232939	0	42	-1.0	-53.88	365.53	3.55	-50.33
COC1=CC(C)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020232939	1	42	-1.0	-53.89	365.58	3.56	-50.33
COC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020232940	0	39	-1.0	-48.98	323.37	3.66	-45.32
COC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020232940	1	39	-1.0	-48.99	323.44	3.67	-45.32
COC1=CC(C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020232941	0	45	-1.0	-41.53	347.07	4.69	-36.84
COC1=CC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020232941	1	45	-1.0	-41.55	347.12	4.72	-36.83
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)N1CCCC1C1=N[N-]N=N1	REAL300020232942	0	36	-2.0	-129.35	343.90	4.03	-125.32
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)N1CCCC1C1=NN=N[N-]1	REAL300020232942	1	36	-2.0	-129.31	343.95	4.05	-125.26
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232943	0	36	-2.0	-102.19	345.82	4.32	-97.87
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232943	1	36	-2.0	-102.18	345.89	4.33	-97.85
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(N2CCOCC2)C=N1	REAL300020232944	0	47	-1.0	-61.67	383.60	3.25	-58.42
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(N2CCOCC2)C=N1	REAL300020232944	1	47	-1.0	-61.71	383.54	3.23	-58.48
O=C(NC1=CC=C(N2CCOCC2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232945	0	47	-1.0	-43.81	361.66	2.15	-41.66
O=C(NC1=CC=C(N2CCOCC2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232945	1	47	-1.0	-43.79	361.61	2.14	-41.65
O=C(NC1=CC=C(N2CCOCC2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020232946	0	44	-1.0	-61.62	349.04	1.88	-59.74
O=C(NC1=CC=C(N2CCOCC2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020232946	1	44	-1.0	-61.65	348.98	1.86	-59.79
CSCC[C@H](NC(=O)NC1=CC=C(N2CCOCC2)C=N1)C1=NN=N[N-]1	REAL300020232947	0	47	-1.0	-53.87	392.57	1.83	-52.04
CSCC[C@H](NC(=O)NC1=CC=C(N2CCOCC2)C=N1)C1=N[N-]N=N1	REAL300020232947	1	47	-1.0	-53.88	392.52	1.81	-52.07
O=C(NC1=CC=C(N2CCOCC2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232948	0	44	-1.0	-50.48	350.44	1.92	-48.56
O=C(NC1=CC=C(N2CCOCC2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232948	1	44	-1.0	-50.44	350.37	1.91	-48.53
O=C(NC1=CC=C(N2CCOCC2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232949	0	50	-1.0	-46.73	377.19	2.80	-43.93
O=C(NC1=CC=C(N2CCOCC2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232949	1	50	-1.0	-46.70	377.13	2.78	-43.92
CC(=O)OCCCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020232950	0	50	-1.0	-57.69	424.53	7.97	-49.72
CC(=O)OCCCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020232950	1	50	-1.0	-57.71	424.58	8.00	-49.71
CC(=O)OCCCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232951	0	50	-1.0	-48.37	405.58	7.49	-40.88
CC(=O)OCCCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232951	1	50	-1.0	-48.39	405.63	7.50	-40.89
CC(=O)OCCCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232952	0	47	-1.0	-57.37	390.23	6.56	-50.81
CC(=O)OCCCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232952	1	47	-1.0	-57.39	390.28	6.57	-50.82
CSCC[C@H](NC(=O)NC1=CC=CC(CCCOC(C)=O)=C1)C1=N[N-]N=N1	REAL300020232953	0	50	-1.0	-50.62	433.46	6.56	-44.06
CSCC[C@H](NC(=O)NC1=CC=CC(CCCOC(C)=O)=C1)C1=NN=N[N-]1	REAL300020232953	1	50	-1.0	-50.59	433.51	6.57	-44.02
CC(=O)OCCCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232954	0	47	-1.0	-48.11	391.25	6.63	-41.48
CC(=O)OCCCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232954	1	47	-1.0	-48.12	391.32	6.64	-41.48
CC(=O)OCCCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020232955	0	53	-1.0	-53.08	413.56	8.36	-44.72
CC(=O)OCCCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020232955	1	53	-1.0	-53.04	413.61	8.38	-44.66
CC1=CC=C(C2=NC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020232956	0	44	-1.0	-41.97	385.86	7.04	-34.93
CC1=CC=C(C2=NC=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020232956	1	44	-1.0	-41.97	385.80	7.01	-34.96
CC1=CC=C(C2=NC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020232957	0	44	-1.0	-43.67	363.09	6.19	-37.48
CC1=CC=C(C2=NC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020232957	1	44	-1.0	-43.59	363.03	6.17	-37.42
CC1=CC=C(C2=NC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020232958	0	41	-1.0	-53.39	350.43	5.54	-47.85
CC1=CC=C(C2=NC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020232958	1	41	-1.0	-53.35	350.38	5.51	-47.84
CSCC[C@H](NC(=O)NC1=CC=CN=C1C1=CC=C(C)S1)C1=NN=N[N-]1	REAL300020232959	0	44	-1.0	-47.07	395.06	5.58	-41.49
CSCC[C@H](NC(=O)NC1=CC=CN=C1C1=CC=C(C)S1)C1=N[N-]N=N1	REAL300020232959	1	44	-1.0	-47.04	395.00	5.57	-41.47
CC1=CC=C(C2=NC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020232960	0	41	-1.0	-42.91	351.78	5.60	-37.31
CC1=CC=C(C2=NC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020232960	1	41	-1.0	-42.94	351.71	5.59	-37.35
CC1=CC=C(C2=NC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020232961	0	47	-1.0	-45.73	379.67	6.32	-39.41
CC1=CC=C(C2=NC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020232961	1	47	-1.0	-45.75	379.62	6.31	-39.44
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020232962	0	37	-1.0	-50.12	326.59	1.43	-48.69
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020232962	1	37	-1.0	-50.10	326.53	1.40	-48.70
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020232963	0	37	-1.0	-42.57	304.41	0.56	-42.01
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=N1	REAL300020232963	1	37	-1.0	-42.56	304.36	0.54	-42.02
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1	REAL300020232964	0	37	-1.0	-56.50	335.59	0.01	-56.49
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1	REAL300020232964	1	37	-1.0	-56.52	335.53	-0.01	-56.53
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020232965	0	40	-1.0	-47.82	320.23	0.97	-46.85
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020232965	1	40	-1.0	-47.83	320.18	0.95	-46.88
O=C(NC1=C(Cl)SC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232966	0	32	-1.0	-39.19	307.33	4.37	-34.82
O=C(NC1=C(Cl)SC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232966	1	32	-1.0	-39.13	307.27	4.35	-34.78
O=C(NC1=C(Cl)SC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232967	0	32	-1.0	-40.31	288.26	3.88	-36.43
O=C(NC1=C(Cl)SC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232967	1	32	-1.0	-40.34	288.31	3.89	-36.45
CSCC[C@H](NC(=O)NC1=C(Cl)SC=C1)C1=N[N-]N=N1	REAL300020232968	0	32	-1.0	-42.74	316.27	2.91	-39.83
CSCC[C@H](NC(=O)NC1=C(Cl)SC=C1)C1=NN=N[N-]1	REAL300020232968	1	32	-1.0	-42.71	316.33	2.93	-39.78
O=C(NC1=C(Cl)SC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232969	0	35	-1.0	-44.75	296.62	4.85	-39.90
O=C(NC1=C(Cl)SC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232969	1	35	-1.0	-44.80	296.67	4.88	-39.92
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300020232970	0	38	-1.0	-40.19	359.03	6.26	-33.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300020232970	1	38	-1.0	-40.24	359.09	6.28	-33.96
O=C(NC1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232971	0	38	-1.0	-41.69	339.96	5.79	-35.90
O=C(NC1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232971	1	38	-1.0	-41.69	340.01	5.80	-35.89
O=C(NC1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232972	0	35	-1.0	-50.77	323.92	4.90	-45.87
O=C(NC1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232972	1	35	-1.0	-50.79	323.98	4.92	-45.87
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020232973	0	38	-1.0	-44.35	367.80	4.88	-39.47
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020232973	1	38	-1.0	-44.37	367.85	4.90	-39.47
O=C(NC1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232974	0	35	-1.0	-41.61	325.35	4.96	-36.65
O=C(NC1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232974	1	35	-1.0	-41.64	325.42	4.97	-36.67
O=C(NC1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232975	0	41	-1.0	-36.57	351.93	5.94	-30.63
O=C(NC1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232975	1	41	-1.0	-36.62	351.97	5.95	-30.67
CCCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC(C#N)=C1	REAL300020232976	0	49	-1.0	-61.62	408.54	6.87	-54.75
CCCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC(C#N)=C1	REAL300020232976	1	49	-1.0	-61.64	408.59	6.88	-54.76
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(C#N)=C1	REAL300020232977	0	49	-1.0	-51.42	409.55	6.93	-44.49
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(C#N)=C1	REAL300020232977	1	49	-1.0	-51.43	409.62	6.93	-44.50
CCCC1=NC(C)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020232978	0	43	-1.0	-41.25	372.44	4.94	-36.31
CCCC1=NC(C)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020232978	1	43	-1.0	-41.25	372.38	4.92	-36.33
CCCC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020232978	1	42	-2.0	-94.98	370.86	3.85	-91.13
CCCC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020232978	1	42	-2.0	-94.98	370.80	3.82	-91.16
CCCC1=NC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020232979	0	43	-1.0	-42.65	353.19	4.47	-38.18
CCCC1=NC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020232979	1	43	-1.0	-42.61	353.25	4.49	-38.12
CCCC1=NC(C)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020232980	0	40	-1.0	-51.46	337.74	3.55	-47.91
CCCC1=NC(C)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020232980	1	40	-1.0	-51.45	337.79	3.56	-47.89
CCCC1=NC(C)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020232981	0	43	-1.0	-44.88	381.36	3.51	-41.37
CCCC1=NC(C)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020232981	1	43	-1.0	-44.91	381.42	3.53	-41.38
CCCC1=NC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020232982	0	40	-1.0	-42.42	339.21	3.60	-38.82
CCCC1=NC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020232982	1	40	-1.0	-42.46	339.29	3.61	-38.85
CCCC1=NC(C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020232983	0	46	-1.0	-47.14	361.67	5.33	-41.81
CCCC1=NC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020232983	1	46	-1.0	-47.16	361.73	5.35	-41.81
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232984	0	50	0.0	-69.38	399.57	7.81	-61.57
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232984	1	50	0.0	-69.35	399.51	7.78	-61.57
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232985	0	50	0.0	-72.03	380.43	7.29	-64.74
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232985	1	50	0.0	-72.07	380.48	7.30	-64.77
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232986	0	47	0.0	-86.13	365.13	6.36	-79.77
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232986	1	47	0.0	-86.17	365.19	6.37	-79.80
CSCC[C@H](NC(=O)NC1=CC=CC=C1CC[NH+](C)C)C1=N[N-]N=N1	REAL300020232987	0	50	0.0	-70.35	408.65	6.34	-64.01
CSCC[C@H](NC(=O)NC1=CC=CC=C1CC[NH+](C)C)C1=NN=N[N-]1	REAL300020232987	1	50	0.0	-70.35	408.71	6.35	-64.00
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232988	0	47	0.0	-75.89	365.82	6.38	-69.51
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232988	1	47	0.0	-75.92	365.89	6.39	-69.53
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232989	0	53	0.0	-73.27	387.32	7.64	-65.63
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232989	1	53	0.0	-73.33	387.36	7.64	-65.69
CC[C@H](NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020232990	0	37	-1.0	-44.90	325.32	3.96	-40.94
CC[C@H](NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020232990	1	37	-1.0	-44.88	325.26	3.94	-40.94
CC[C@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020232991	0	37	-1.0	-44.30	306.07	3.49	-40.81
CC[C@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020232991	1	37	-1.0	-44.29	306.13	3.51	-40.78
CC[C@H](NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(F)(F)F	REAL300020232992	0	37	-1.0	-44.56	334.51	2.48	-42.08
CC[C@H](NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(F)(F)F	REAL300020232992	1	37	-1.0	-44.57	334.56	2.50	-42.07
CC[C@H](NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020232993	0	40	-1.0	-47.80	315.18	4.42	-43.38
CC[C@H](NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020232993	1	40	-1.0	-47.85	315.23	4.42	-43.43
CSC1=CC=CC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232994	0	42	-1.0	-46.25	359.37	6.64	-39.61
CSC1=CC=CC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232994	1	42	-1.0	-46.24	359.31	6.61	-39.63
CSC1=CC=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232995	0	42	-1.0	-43.81	339.70	6.10	-37.71
CSC1=CC=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232995	1	42	-1.0	-43.79	339.76	6.11	-37.68
CSC1=CC=CC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232996	0	39	-1.0	-55.65	331.55	5.45	-50.20
CSC1=CC=CC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232996	1	39	-1.0	-55.63	331.61	5.47	-50.16
CSCC[C@H](NC(=O)NC1=C(C)C=CC=C1SC)C1=N[N-]N=N1	REAL300020232997	0	42	-1.0	-48.98	375.02	5.40	-43.58
CSCC[C@H](NC(=O)NC1=C(C)C=CC=C1SC)C1=NN=N[N-]1	REAL300020232997	1	42	-1.0	-48.99	375.07	5.41	-43.58
CSC1=CC=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232998	0	39	-1.0	-46.11	332.86	5.50	-40.61
CSC1=CC=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232998	1	39	-1.0	-46.09	332.94	5.50	-40.59
CSC1=CC=CC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232999	0	45	-1.0	-43.26	343.02	5.32	-37.94
CSC1=CC=CC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232999	1	45	-1.0	-43.21	343.08	5.32	-37.89
O=C(NC1=CC=C(C(F)(F)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233000	0	41	-1.0	-41.81	355.08	6.18	-35.63
O=C(NC1=CC=C(C(F)(F)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233000	1	41	-1.0	-41.82	355.14	6.20	-35.62
O=C(NC1=CC=C(C(F)(F)C(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233001	0	38	-1.0	-50.66	339.92	5.24	-45.42
O=C(NC1=CC=C(C(F)(F)C(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233001	1	38	-1.0	-50.66	339.98	5.25	-45.41
O=C(NC1=CC=C(C(F)(F)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233002	0	38	-1.0	-42.82	341.04	5.33	-37.49
O=C(NC1=CC=C(C(F)(F)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233002	1	38	-1.0	-42.83	341.12	5.33	-37.50
CC1=CC(Br)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020233003	0	38	-1.0	-42.51	346.01	6.05	-36.46
CC1=CC(Br)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020233003	1	38	-1.0	-42.49	345.95	6.02	-36.47
CC1=CC(Br)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020233004	0	38	-1.0	-44.66	326.88	5.55	-39.11
CC1=CC(Br)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020233004	1	38	-1.0	-44.68	326.94	5.56	-39.12
CC1=CC(Br)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020233005	0	35	-1.0	-56.33	311.17	4.68	-51.65
CC1=CC(Br)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020233005	1	35	-1.0	-56.34	311.23	4.70	-51.64
CSCC[C@H](NC(=O)NC1=CC(C)=CC(Br)=C1)C1=N[N-]N=N1	REAL300020233006	0	38	-1.0	-49.00	354.72	4.65	-44.35
CSCC[C@H](NC(=O)NC1=CC(C)=CC(Br)=C1)C1=NN=N[N-]1	REAL300020233006	1	38	-1.0	-48.97	354.77	4.67	-44.30
CC1=CC(Br)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020233007	0	35	-1.0	-44.63	312.60	4.74	-39.89
CC1=CC(Br)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020233007	1	35	-1.0	-44.60	312.67	4.74	-39.86
CC1=CC(Br)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020233008	0	41	-1.0	-40.25	339.20	5.72	-34.53
CC1=CC(Br)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020233008	1	41	-1.0	-40.26	339.24	5.73	-34.53
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OCC2=CC=CC=C2)=C1	REAL300020233009	0	50	-1.0	-54.66	408.43	6.08	-48.58
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OCC2=CC=CC=C2)=C1	REAL300020233009	1	50	-1.0	-54.69	408.49	6.11	-48.58
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCC2=CC=CC=C2)=C1	REAL300020233010	0	50	-1.0	-44.22	409.93	6.12	-38.10
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCC2=CC=CC=C2)=C1	REAL300020233010	1	50	-1.0	-44.24	410.00	6.13	-38.11
CC1=C(C)C2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2O1	REAL300020233011	0	44	-1.0	-48.77	373.23	6.65	-42.12
CC1=C(C)C2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2O1	REAL300020233011	1	44	-1.0	-48.75	373.17	6.63	-42.12
CC1=C(C)C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020233012	0	44	-1.0	-47.48	352.74	6.09	-41.39
CC1=C(C)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020233012	1	44	-1.0	-47.52	352.80	6.10	-41.42
CC1=C(C)C2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020233013	0	41	-1.0	-57.51	339.14	5.20	-52.31
CC1=C(C)C2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020233013	1	41	-1.0	-57.46	339.20	5.20	-52.26
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)=C(C)C2=C1)C1=N[N-]N=N1	REAL300020233014	0	44	-1.0	-50.24	381.15	5.10	-45.14
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)=C(C)C2=C1)C1=NN=N[N-]1	REAL300020233014	1	44	-1.0	-50.20	381.21	5.12	-45.08
CC1=C(C)C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020233015	0	41	-1.0	-47.99	340.53	5.24	-42.75
CC1=C(C)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020233015	1	41	-1.0	-47.97	340.60	5.26	-42.71
CC1=C(C)C2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020233016	0	47	-1.0	-44.71	366.92	6.30	-38.41
CC1=C(C)C2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020233016	1	47	-1.0	-44.69	366.98	6.30	-38.39
CC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020233017	0	41	-1.0	-45.10	340.79	6.36	-38.74
CC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020233017	1	41	-1.0	-45.07	340.85	6.37	-38.70
CC1=CC(C)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020233018	0	38	-1.0	-54.68	325.80	5.41	-49.27
CC1=CC(C)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020233018	1	38	-1.0	-54.67	325.86	5.44	-49.23
CSCC[C@H](NC(=O)NC1=CC(Br)=C(C)C=C1C)C1=N[N-]N=N1	REAL300020233019	0	41	-1.0	-47.27	369.30	5.37	-41.90
CSCC[C@H](NC(=O)NC1=CC(Br)=C(C)C=C1C)C1=NN=N[N-]1	REAL300020233019	1	41	-1.0	-47.25	369.36	5.39	-41.86
CC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020233020	0	38	-1.0	-45.51	327.11	5.47	-40.04
CC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020233020	1	38	-1.0	-45.44	327.18	5.48	-39.96
CC1=CC(C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020233021	0	44	-1.0	-50.37	348.70	7.18	-43.19
CC1=CC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020233021	1	44	-1.0	-50.35	348.75	7.18	-43.17
CC1=NC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Br	REAL300020233022	0	37	-1.0	-39.86	335.38	4.31	-35.55
CC1=NC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Br	REAL300020233022	1	37	-1.0	-39.82	335.32	4.28	-35.54
CC1=NC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Br	REAL300020233023	0	37	-1.0	-40.97	316.87	3.78	-37.19
CC1=NC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Br	REAL300020233023	1	37	-1.0	-40.93	316.92	3.80	-37.13
CC1=NC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1Br	REAL300020233024	0	34	-1.0	-49.04	300.28	2.87	-46.17
CC1=NC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1Br	REAL300020233024	1	34	-1.0	-49.08	300.34	2.90	-46.18
CSCC[C@H](NC(=O)NC1=CC=NC(C)=C1Br)C1=N[N-]N=N1	REAL300020233025	0	37	-1.0	-43.05	343.80	2.84	-40.21
CSCC[C@H](NC(=O)NC1=CC=NC(C)=C1Br)C1=NN=N[N-]1	REAL300020233025	1	37	-1.0	-43.08	343.86	2.86	-40.22
CC1=NC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020233026	0	34	-1.0	-40.70	302.49	2.95	-37.75
CC1=NC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020233026	1	34	-1.0	-40.68	302.57	2.96	-37.72
CC1=NC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020233027	0	40	-1.0	-45.83	323.71	4.68	-41.15
CC1=NC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020233027	1	40	-1.0	-45.83	323.77	4.69	-41.14
CC1=CC(C2=NC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020233028	0	44	-1.0	-43.41	386.19	6.94	-36.47
CC1=CC(C2=NC=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020233028	1	44	-1.0	-43.44	386.13	6.92	-36.52
CC1=CC(C2=NC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020233029	0	44	-1.0	-42.86	365.59	6.44	-36.42
CC1=CC(C2=NC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020233029	1	44	-1.0	-42.84	365.54	6.42	-36.42
CC1=CC(C2=NC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL300020233030	0	41	-1.0	-51.57	350.16	5.41	-46.16
CC1=CC(C2=NC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL300020233030	1	41	-1.0	-51.55	350.11	5.39	-46.16
CSCC[C@H](NC(=O)NC1=CC=CN=C1C1=CSC(C)=C1)C1=NN=N[N-]1	REAL300020233031	0	44	-1.0	-45.45	393.82	5.47	-39.98
CSCC[C@H](NC(=O)NC1=CC=CN=C1C1=CSC(C)=C1)C1=N[N-]N=N1	REAL300020233031	1	44	-1.0	-45.44	393.77	5.46	-39.98
CC1=CC(C2=NC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020233032	0	41	-1.0	-42.45	353.31	5.58	-36.87
CC1=CC(C2=NC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020233032	1	41	-1.0	-42.44	353.23	5.56	-36.88
CC1=CC(C2=NC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020233033	0	47	-1.0	-49.18	374.26	7.39	-41.79
CC1=CC(C2=NC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020233033	1	47	-1.0	-49.14	374.22	7.38	-41.76
CC1=COC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020233034	0	41	-1.0	-48.41	352.20	5.84	-42.57
CC1=COC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020233034	1	41	-1.0	-48.44	352.14	5.81	-42.63
CC1=COC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C12	REAL300020233035	0	41	-1.0	-45.22	333.52	5.28	-39.94
CC1=COC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C12	REAL300020233035	1	41	-1.0	-45.26	333.57	5.29	-39.97
CC1=COC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL300020233036	0	38	-1.0	-57.13	318.11	4.39	-52.74
CC1=COC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL300020233036	1	38	-1.0	-57.10	318.17	4.41	-52.69
CSCC[C@H](NC(=O)NC1=CC=C2OC=C(C)C2=C1)C1=N[N-]N=N1	REAL300020233037	0	41	-1.0	-49.92	361.66	4.34	-45.58
CSCC[C@H](NC(=O)NC1=CC=C2OC=C(C)C2=C1)C1=NN=N[N-]1	REAL300020233037	1	41	-1.0	-49.86	361.72	4.36	-45.50
CC1=COC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020233038	0	38	-1.0	-47.80	319.22	4.46	-43.34
CC1=COC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020233038	1	38	-1.0	-47.82	319.30	4.47	-43.35
CC1=COC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020233039	0	44	-1.0	-52.37	341.01	6.30	-46.07
CC1=COC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020233039	1	44	-1.0	-52.45	341.05	6.31	-46.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C=N1	REAL300020233040	0	34	-1.0	-58.50	316.10	4.98	-53.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C=N1	REAL300020233040	1	34	-1.0	-58.54	316.04	4.96	-53.58
O=C(NC1=CC=C(Cl)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233041	0	34	-1.0	-46.38	296.86	4.50	-41.88
O=C(NC1=CC=C(Cl)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233041	1	34	-1.0	-46.37	296.80	4.48	-41.89
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=N1)C1=NN=N[N-]1	REAL300020233042	0	34	-1.0	-50.63	325.10	3.56	-47.07
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=N1)C1=N[N-]N=N1	REAL300020233042	1	34	-1.0	-50.60	325.04	3.54	-47.06
O=C(NC1=CC=C(Cl)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233043	0	37	-1.0	-40.74	309.90	4.09	-36.65
O=C(NC1=CC=C(Cl)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233043	1	37	-1.0	-40.74	309.85	4.07	-36.67
CCOC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C#N)=CN1C	REAL300020233044	0	46	-1.0	-52.43	398.65	6.25	-46.18
CCOC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C#N)=CN1C	REAL300020233044	1	46	-1.0	-52.41	398.59	6.22	-46.19
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C#N)=CN1C	REAL300020233045	0	46	-1.0	-55.70	386.51	6.00	-49.70
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C#N)=CN1C	REAL300020233045	1	46	-1.0	-55.67	386.57	6.02	-49.65
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C#N)=CN1C	REAL300020233046	0	43	-1.0	-66.11	372.65	5.18	-60.93
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C#N)=CN1C	REAL300020233046	1	43	-1.0	-66.13	372.71	5.19	-60.94
CCOC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C#N)=CN1C	REAL300020233047	0	46	-1.0	-60.39	416.35	5.13	-55.26
CCOC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C#N)=CN1C	REAL300020233047	1	46	-1.0	-60.41	416.40	5.14	-55.27
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C#N)=CN1C	REAL300020233048	0	43	-1.0	-55.52	374.17	5.21	-50.31
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C#N)=CN1C	REAL300020233048	1	43	-1.0	-55.53	374.25	5.22	-50.31
CCOC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C#N)=CN1C	REAL300020233049	0	49	-1.0	-52.85	378.58	6.55	-46.30
CCOC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C#N)=CN1C	REAL300020233049	1	49	-1.0	-52.82	378.72	6.53	-46.29
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C1=CC=CC=C1)C(F)(F)F	REAL300020233050	0	41	-1.0	-41.86	361.18	5.99	-35.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C1=CC=CC=C1)C(F)(F)F	REAL300020233050	1	41	-1.0	-41.83	361.12	5.96	-35.87
O=C(NC(C1=CC=CC=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233051	0	41	-1.0	-44.25	341.63	5.53	-38.72
O=C(NC(C1=CC=CC=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233051	1	41	-1.0	-44.29	341.68	5.54	-38.75
O=C(NC(C1=CC=CC=C1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020233052	0	38	-1.0	-52.17	326.54	4.60	-47.57
O=C(NC(C1=CC=CC=C1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020233052	1	38	-1.0	-52.17	326.60	4.62	-47.55
CSCC[C@H](NC(=O)NC(C1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300020233053	0	41	-1.0	-47.96	370.10	4.55	-43.41
CSCC[C@H](NC(=O)NC(C1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300020233053	1	41	-1.0	-48.01	370.16	4.56	-43.45
O=C(NC(C1=CC=CC=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020233054	0	38	-1.0	-43.29	327.96	4.65	-38.64
O=C(NC(C1=CC=CC=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020233054	1	38	-1.0	-43.30	328.03	4.66	-38.64
O=C(NC(C1=CC=CC=C1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020233055	0	44	-1.0	-51.05	345.30	6.55	-44.50
O=C(NC(C1=CC=CC=C1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020233055	1	44	-1.0	-51.03	345.35	6.55	-44.48
CC(C)(C)C1=CC=C(C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)(F)F)C=C1	REAL300020233056	0	50	-1.0	-51.52	402.68	6.91	-44.61
CC(C)(C)C1=CC=C(C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)(F)F)C=C1	REAL300020233056	1	50	-1.0	-51.55	402.74	6.93	-44.62
CC(C)(C)C1=CC=C(C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)(F)F)C=C1	REAL300020233057	0	50	-1.0	-42.93	404.20	6.98	-35.95
CC(C)(C)C1=CC=C(C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)(F)F)C=C1	REAL300020233057	1	50	-1.0	-42.98	404.28	7.00	-35.98
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC(C)=C1Br	REAL300020233058	0	40	-1.0	-46.88	338.36	5.69	-41.19
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC(C)=C1Br	REAL300020233058	1	40	-1.0	-46.90	338.41	5.71	-41.19
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NC(C)=C1Br	REAL300020233059	0	37	-1.0	-58.25	322.96	4.79	-53.46
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NC(C)=C1Br	REAL300020233059	1	37	-1.0	-58.23	323.02	4.81	-53.42
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NC(C)=C1Br	REAL300020233060	0	37	-1.0	-47.77	324.33	4.84	-42.93
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NC(C)=C1Br	REAL300020233060	1	37	-1.0	-47.80	324.40	4.86	-42.94
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NC(C)=C1Br	REAL300020233061	0	43	-1.0	-43.81	351.12	5.73	-38.08
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NC(C)=C1Br	REAL300020233061	1	43	-1.0	-43.83	351.16	5.73	-38.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=C(Cl)C=N1	REAL300020233062	0	34	-1.0	-42.71	331.50	5.45	-37.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=C(Cl)C=N1	REAL300020233062	1	34	-1.0	-42.69	331.45	5.43	-37.26
O=C(NC1=CC(Cl)=C(Cl)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233063	0	34	-1.0	-41.06	309.64	4.35	-36.71
O=C(NC1=CC(Cl)=C(Cl)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233063	1	34	-1.0	-41.04	309.58	4.33	-36.71
O=C(NC1=CC(Cl)=C(Cl)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020233064	0	31	-1.0	-53.91	296.98	4.07	-49.84
O=C(NC1=CC(Cl)=C(Cl)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020233064	1	31	-1.0	-53.91	296.92	4.06	-49.85
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(Cl)C=N1)C1=NN=N[N-]1	REAL300020233065	0	34	-1.0	-47.09	340.51	4.03	-43.06
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(Cl)C=N1)C1=N[N-]N=N1	REAL300020233065	1	34	-1.0	-47.09	340.45	4.01	-43.08
O=C(NC1=CC(Cl)=C(Cl)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233066	0	31	-1.0	-44.90	298.35	4.12	-40.78
O=C(NC1=CC(Cl)=C(Cl)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233066	1	31	-1.0	-44.89	298.28	4.11	-40.78
O=C(NC1=CC(Cl)=C(Cl)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233067	0	37	-1.0	-40.06	325.11	4.99	-35.07
O=C(NC1=CC(Cl)=C(Cl)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233067	1	37	-1.0	-40.06	325.09	4.99	-35.07
CC1=CC=CC(C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)(F)F)=C1	REAL300020233068	0	44	-1.0	-44.91	382.30	6.67	-38.24
CC1=CC=CC(C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)(F)F)=C1	REAL300020233068	1	44	-1.0	-44.91	382.36	6.70	-38.21
CC1=CC=CC(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)(F)F)=C1	REAL300020233069	0	44	-1.0	-44.21	363.13	6.22	-37.99
CC1=CC=CC(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)(F)F)=C1	REAL300020233069	1	44	-1.0	-44.26	363.19	6.24	-38.02
CC1=CC=CC(C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)(F)F)=C1	REAL300020233070	0	41	-1.0	-54.50	347.96	5.24	-49.26
CC1=CC=CC(C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)(F)F)=C1	REAL300020233070	1	41	-1.0	-54.51	348.02	5.27	-49.24
CSCC[C@H](NC(=O)NC(C1=CC=CC(C)=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300020233071	0	44	-1.0	-47.75	391.54	5.22	-42.53
CSCC[C@H](NC(=O)NC(C1=CC=CC(C)=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300020233071	1	44	-1.0	-47.75	391.59	5.24	-42.51
CC1=CC=CC(C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)(F)F)=C1	REAL300020233072	0	41	-1.0	-43.19	349.41	5.34	-37.85
CC1=CC=CC(C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)(F)F)=C1	REAL300020233072	1	41	-1.0	-43.15	349.48	5.34	-37.81
CC1=CC=CC(C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)(F)F)=C1	REAL300020233073	0	47	-1.0	-51.08	366.78	7.19	-43.89
CC1=CC=CC(C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)(F)F)=C1	REAL300020233073	1	47	-1.0	-51.07	366.81	7.20	-43.87
O=C(NC(C1=CC=C(Cl)C=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233074	0	41	-1.0	-43.18	358.95	6.01	-37.17
O=C(NC(C1=CC=C(Cl)C=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233074	1	41	-1.0	-43.20	359.01	6.03	-37.17
O=C(NC(C1=CC=C(Cl)C=C1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020233075	0	38	-1.0	-50.38	343.32	5.10	-45.28
O=C(NC(C1=CC=C(Cl)C=C1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020233075	1	38	-1.0	-50.42	343.38	5.12	-45.30
O=C(NC(C1=CC=C(Cl)C=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020233076	0	38	-1.0	-42.61	344.71	5.17	-37.44
O=C(NC(C1=CC=C(Cl)C=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020233076	1	38	-1.0	-42.56	344.78	5.18	-37.38
CC(C)(C)C(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020233077	0	43	-1.0	-44.31	351.18	4.92	-39.39
CC(C)(C)C(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020233077	1	43	-1.0	-44.34	351.24	4.95	-39.39
CC(C)(C)C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020233078	0	43	-1.0	-43.22	332.40	4.50	-38.72
CC(C)(C)C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020233078	1	43	-1.0	-43.23	332.45	4.52	-38.71
CC(C)(C)C(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020233079	0	40	-1.0	-54.12	316.68	3.54	-50.58
CC(C)(C)C(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020233079	1	40	-1.0	-54.14	316.74	3.56	-50.58
CSCC[C@H](NC(=O)NC(C(C)(C)C)C(F)(F)F)C1=N[N-]N=N1	REAL300020233080	0	43	-1.0	-44.11	360.21	3.57	-40.54
CSCC[C@H](NC(=O)NC(C(C)(C)C)C(F)(F)F)C1=NN=N[N-]1	REAL300020233080	1	43	-1.0	-44.09	360.26	3.58	-40.51
CC(C)(C)C(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020233081	0	40	-1.0	-42.38	318.11	3.61	-38.77
CC(C)(C)C(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020233081	1	40	-1.0	-42.42	318.18	3.62	-38.80
CC(C)(C)C(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020233082	0	46	-1.0	-47.87	340.94	5.39	-42.48
CC(C)(C)C(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020233082	1	46	-1.0	-47.89	340.99	5.42	-42.47
COC1=CC=C(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)(F)F)C=C1	REAL300020233083	0	45	-1.0	-44.41	371.71	4.79	-39.62
COC1=CC=C(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)(F)F)C=C1	REAL300020233083	1	45	-1.0	-44.44	371.76	4.81	-39.63
COC1=CC=C(C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)(F)F)C=C1	REAL300020233084	0	42	-1.0	-52.68	356.08	3.88	-48.80
COC1=CC=C(C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)(F)F)C=C1	REAL300020233084	1	42	-1.0	-52.66	356.14	3.90	-48.76
COC1=CC=C(C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)(F)F)C=C1	REAL300020233085	0	42	-1.0	-43.99	357.48	3.95	-40.04
COC1=CC=C(C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)(F)F)C=C1	REAL300020233085	1	42	-1.0	-43.96	357.56	3.96	-40.00
COC1=CC=C(C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)(F)F)C=C1	REAL300020233086	0	48	-1.0	-48.73	380.35	5.68	-43.05
COC1=CC=C(C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)(F)F)C=C1	REAL300020233086	1	48	-1.0	-48.76	380.41	5.68	-43.08
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C1CCCCC1)C(F)(F)F	REAL300020233087	0	47	-1.0	-40.54	378.92	6.44	-34.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C1CCCCC1)C(F)(F)F	REAL300020233087	1	47	-1.0	-40.53	378.97	6.46	-34.07
O=C(NC(C1CCCCC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233088	0	47	-1.0	-41.11	360.07	5.96	-35.15
O=C(NC(C1CCCCC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233088	1	47	-1.0	-41.11	360.13	5.98	-35.13
O=C(NC(C1CCCCC1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020233089	0	44	-1.0	-50.27	344.29	5.05	-45.22
O=C(NC(C1CCCCC1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020233089	1	44	-1.0	-50.26	344.35	5.07	-45.19
CSCC[C@H](NC(=O)NC(C1CCCCC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020233090	0	47	-1.0	-46.78	387.91	5.02	-41.76
CSCC[C@H](NC(=O)NC(C1CCCCC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020233090	1	47	-1.0	-46.80	387.97	5.04	-41.76
O=C(NC(C1CCCCC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020233091	0	44	-1.0	-42.29	347.89	4.97	-37.32
O=C(NC(C1CCCCC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020233091	1	44	-1.0	-42.33	347.96	4.98	-37.35
O=C(NC(C1CCCCC1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020233092	0	50	-1.0	-49.96	364.87	6.87	-43.09
O=C(NC(C1CCCCC1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020233092	1	50	-1.0	-49.95	364.91	6.87	-43.08
O=C(NC(C1=C(F)C=CC=C1F)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233093	0	41	-1.0	-44.37	348.42	5.66	-38.71
O=C(NC(C1=C(F)C=CC=C1F)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233093	1	41	-1.0	-44.36	348.48	5.68	-38.68
O=C(NC(C1=C(F)C=CC=C1F)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020233094	0	38	-1.0	-58.69	333.26	4.70	-53.99
O=C(NC(C1=C(F)C=CC=C1F)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020233094	1	38	-1.0	-58.72	333.32	4.73	-53.99
O=C(NC(C1=C(F)C=CC=C1F)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020233095	0	38	-1.0	-45.69	334.74	4.76	-40.93
O=C(NC(C1=C(F)C=CC=C1F)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020233095	1	38	-1.0	-45.68	334.81	4.77	-40.91
O=C(NC(C1=CC=CC2=CC=CC=C21)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020233096	0	44	-1.0	-55.39	366.60	6.68	-48.71
O=C(NC(C1=CC=CC2=CC=CC=C21)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020233096	1	44	-1.0	-55.36	366.66	6.70	-48.66
O=C(NC(C1=CC=CC2=CC=CC=C21)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020233097	0	44	-1.0	-45.40	368.08	6.75	-38.65
O=C(NC(C1=CC=CC2=CC=CC=C21)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020233097	1	44	-1.0	-45.35	368.16	6.76	-38.59
N#CCCCOC1=CC=CN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233098	0	45	-1.0	-65.76	392.09	6.16	-59.60
N#CCCCOC1=CC=CN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233098	1	45	-1.0	-65.78	392.03	6.13	-59.65
N#CCCCOC1=CC=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233099	0	45	-1.0	-56.56	372.89	5.67	-50.89
N#CCCCOC1=CC=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233099	1	45	-1.0	-56.53	372.83	5.66	-50.87
N#CCCCOC1=CC=CN=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233100	0	42	-1.0	-67.52	357.45	4.78	-62.74
N#CCCCOC1=CC=CN=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233100	1	42	-1.0	-67.53	357.39	4.77	-62.76
CSCC[C@H](NC(=O)NC1=NC=CC=C1OCCCC#N)C1=NN=N[N-]1	REAL300020233101	0	45	-1.0	-60.34	401.07	4.73	-55.61
CSCC[C@H](NC(=O)NC1=NC=CC=C1OCCCC#N)C1=N[N-]N=N1	REAL300020233101	1	45	-1.0	-60.36	401.02	4.72	-55.64
N#CCCCOC1=CC=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233102	0	42	-1.0	-56.86	358.94	4.83	-52.03
N#CCCCOC1=CC=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233102	1	42	-1.0	-56.83	358.87	4.82	-52.01
N#CCCCOC1=CC=CN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233103	0	48	-1.0	-61.59	381.38	6.56	-55.03
N#CCCCOC1=CC=CN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233103	1	48	-1.0	-61.54	381.32	6.55	-54.99
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C(F)(F)F)N=N1	REAL300020233104	0	36	-1.0	-50.18	334.87	4.25	-45.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C(F)(F)F)N=N1	REAL300020233104	1	36	-1.0	-50.18	334.81	4.22	-45.96
O=C(NC1=CC=C(C(F)(F)F)N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233105	0	36	-1.0	-41.55	311.99	3.32	-38.23
O=C(NC1=CC=C(C(F)(F)F)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233105	1	36	-1.0	-41.48	311.93	3.30	-38.18
O=C(NC1=CC=C(C(F)(F)F)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020233106	0	33	-1.0	-64.14	300.17	2.87	-61.27
O=C(NC1=CC=C(C(F)(F)F)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020233106	1	33	-1.0	-64.12	300.12	2.86	-61.26
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)N=N1)C1=NN=N[N-]1	REAL300020233107	0	36	-1.0	-55.95	343.87	2.82	-53.13
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)N=N1)C1=N[N-]N=N1	REAL300020233107	1	36	-1.0	-55.92	343.81	2.81	-53.11
O=C(NC1=CC=C(C(F)(F)F)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233108	0	33	-1.0	-53.46	301.70	2.92	-50.54
O=C(NC1=CC=C(C(F)(F)F)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233108	1	33	-1.0	-53.43	301.63	2.91	-50.52
O=C(NC1=CC=C(C(F)(F)F)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233109	0	39	-1.0	-45.90	328.50	3.77	-42.13
O=C(NC1=CC=C(C(F)(F)F)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233109	1	39	-1.0	-45.94	328.47	3.77	-42.17
CC1=NC2=CC(Br)=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2O1	REAL300020233110	0	37	-1.0	-53.33	333.49	1.66	-51.67
CC1=NC2=CC(Br)=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2O1	REAL300020233110	1	37	-1.0	-53.34	333.55	1.69	-51.65
CC1=NC2=CC(Br)=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020233111	0	37	-1.0	-43.84	334.86	1.72	-42.12
CC1=NC2=CC(Br)=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020233111	1	37	-1.0	-43.83	334.93	1.73	-42.10
CCCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020233112	0	47	-1.0	-41.65	395.25	4.00	-37.65
CCCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020233112	1	47	-1.0	-41.65	395.20	3.97	-37.68
CCCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020233113	0	47	-1.0	-45.58	376.14	3.46	-42.12
CCCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020233113	1	47	-1.0	-45.56	376.08	3.45	-42.11
CCCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020233114	0	44	-1.0	-51.52	360.76	2.61	-48.91
CCCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020233114	1	44	-1.0	-51.51	360.70	2.60	-48.91
CCCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020233115	0	47	-1.0	-46.40	404.29	2.57	-43.83
CCCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020233115	1	47	-1.0	-46.36	404.23	2.56	-43.80
CCCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020233116	0	44	-1.0	-43.25	362.15	2.67	-40.58
CCCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020233116	1	44	-1.0	-43.25	362.07	2.66	-40.59
CCCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020233117	0	50	-1.0	-40.01	390.53	3.66	-36.35
CCCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020233117	1	50	-1.0	-40.02	390.48	3.65	-36.37
COC1=CC(OC)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020233118	0	40	-1.0	-55.88	346.39	2.76	-53.12
COC1=CC(OC)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020233118	1	40	-1.0	-55.84	346.45	2.78	-53.06
COC1=CC(OC)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020233119	0	40	-1.0	-46.16	348.56	2.81	-43.35
COC1=CC(OC)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020233119	1	40	-1.0	-46.18	348.63	2.82	-43.36
CC(OC1=CC=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020233120	0	51	-1.0	-48.75	407.22	8.07	-40.68
CC(OC1=CC=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020233120	1	51	-1.0	-48.76	407.17	8.05	-40.71
CC(OC1=CC=CN=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020233121	0	48	-1.0	-60.46	391.80	7.16	-53.30
CC(OC1=CC=CN=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020233121	1	48	-1.0	-60.46	391.74	7.14	-53.32
CC(OC1=CC=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020233122	0	48	-1.0	-49.27	393.29	7.20	-42.07
CC(OC1=CC=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020233122	1	48	-1.0	-49.23	393.21	7.19	-42.04
O=C(NC1=NC=CC=C1OCC1=CC=CC(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233123	0	45	-1.0	-61.24	391.74	7.04	-54.20
O=C(NC1=NC=CC=C1OCC1=CC=CC(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233123	1	45	-1.0	-61.23	391.68	7.03	-54.20
O=C(NC1=NC=CC=C1OCC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233124	0	45	-1.0	-49.84	393.23	7.09	-42.75
O=C(NC1=NC=CC=C1OCC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233124	1	45	-1.0	-49.85	393.16	7.07	-42.78
O=C(NC1=CC=C2SN=CC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233125	0	37	-1.0	-43.20	335.06	4.93	-38.27
O=C(NC1=CC=C2SN=CC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233125	1	37	-1.0	-43.16	335.00	4.91	-38.25
O=C(NC1=CC=C2SN=CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233126	0	37	-1.0	-44.71	315.88	4.47	-40.24
O=C(NC1=CC=C2SN=CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233126	1	37	-1.0	-44.66	315.82	4.46	-40.20
O=C(NC1=CC=C2SN=CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233127	0	34	-1.0	-54.40	300.29	3.58	-50.82
O=C(NC1=CC=C2SN=CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233127	1	34	-1.0	-54.41	300.24	3.57	-50.84
CSCC[C@H](NC(=O)NC1=CC=C2SN=CC2=C1)C1=NN=N[N-]1	REAL300020233128	0	37	-1.0	-48.15	344.09	3.52	-44.63
CSCC[C@H](NC(=O)NC1=CC=C2SN=CC2=C1)C1=N[N-]N=N1	REAL300020233128	1	37	-1.0	-48.14	344.04	3.50	-44.64
O=C(NC1=CC=C2SN=CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233129	0	34	-1.0	-44.88	301.69	3.63	-41.25
O=C(NC1=CC=C2SN=CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233129	1	34	-1.0	-44.93	301.62	3.62	-41.31
O=C(NC1=CC=C2SN=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233130	0	40	-1.0	-38.35	328.22	4.62	-33.73
O=C(NC1=CC=C2SN=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233130	1	40	-1.0	-38.35	328.18	4.61	-33.74
O=C(NC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233131	0	37	-1.0	-55.60	331.51	5.42	-50.18
O=C(NC1=CC=C([N+](=O)[O-])C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233131	1	37	-1.0	-55.60	331.45	5.40	-50.20
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233132	0	37	-1.0	-44.90	312.46	4.95	-39.95
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233132	1	37	-1.0	-44.94	312.52	4.96	-39.98
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233133	0	34	-1.0	-51.71	296.95	4.03	-47.68
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233133	1	34	-1.0	-51.72	297.01	4.05	-47.67
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020233134	0	37	-1.0	-48.01	340.48	3.99	-44.02
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020233134	1	37	-1.0	-48.00	340.54	4.01	-43.99
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233135	0	34	-1.0	-44.87	298.36	4.08	-40.79
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233135	1	34	-1.0	-44.86	298.43	4.10	-40.76
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233136	0	40	-1.0	-49.47	320.92	5.96	-43.51
O=C(NC1=CC=C([N+](=O)[O-])C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233136	1	40	-1.0	-49.48	320.98	5.96	-43.52
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233137	0	40	-1.0	-45.30	349.81	6.39	-38.91
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233137	1	40	-1.0	-45.30	349.75	6.36	-38.94
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233138	0	40	-1.0	-43.60	329.09	5.82	-37.78
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233138	1	40	-1.0	-43.68	329.15	5.83	-37.85
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233139	0	37	-1.0	-53.82	314.34	4.92	-48.90
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233139	1	37	-1.0	-53.86	314.40	4.94	-48.92
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300020233140	0	40	-1.0	-45.14	358.04	4.86	-40.28
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300020233140	1	40	-1.0	-45.13	358.09	4.87	-40.26
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233141	0	37	-1.0	-44.26	315.86	4.96	-39.30
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233141	1	37	-1.0	-44.25	315.94	4.98	-39.27
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233142	0	43	-1.0	-49.34	338.30	6.79	-42.55
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233142	1	43	-1.0	-49.33	338.35	6.80	-42.53
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233143	0	41	-1.0	-43.44	359.84	4.90	-38.54
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233143	1	41	-1.0	-43.44	359.79	4.88	-38.56
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233144	0	41	-1.0	-42.86	340.12	4.38	-38.48
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233144	1	41	-1.0	-42.88	340.17	4.40	-38.48
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233145	0	38	-1.0	-50.01	324.70	3.47	-46.54
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233145	1	38	-1.0	-50.04	324.75	3.50	-46.54
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020233146	0	41	-1.0	-44.19	368.21	3.44	-40.75
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020233146	1	41	-1.0	-44.23	368.27	3.46	-40.77
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233147	0	38	-1.0	-42.39	326.86	3.51	-38.88
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233147	1	38	-1.0	-42.43	326.94	3.52	-38.91
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233148	0	44	-1.0	-47.69	348.50	5.37	-42.32
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233148	1	44	-1.0	-47.66	348.55	5.38	-42.28
COCC(=O)N1CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020233149	0	50	-1.0	-49.05	392.63	5.42	-43.63
COCC(=O)N1CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020233149	1	50	-1.0	-49.10	392.69	5.44	-43.66
COCC(=O)N1CCC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020233150	0	47	-1.0	-58.16	378.45	4.46	-53.70
COCC(=O)N1CCC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020233150	1	47	-1.0	-58.22	378.51	4.47	-53.75
COCC(=O)N1CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020233151	0	47	-1.0	-50.29	379.55	4.53	-45.76
COCC(=O)N1CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020233151	1	47	-1.0	-50.32	379.63	4.55	-45.77
COCC(=O)N1CCC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020233152	0	53	-1.0	-43.35	406.30	5.56	-37.79
COCC(=O)N1CCC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020233152	1	53	-1.0	-43.37	406.34	5.56	-37.81
CC1=CC(Br)=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233153	0	38	-1.0	-45.19	328.70	5.81	-39.38
CC1=CC(Br)=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233153	1	38	-1.0	-45.16	328.75	5.83	-39.33
CC1=CC(Br)=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233154	0	35	-1.0	-53.44	313.29	4.90	-48.54
CC1=CC(Br)=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233154	1	35	-1.0	-53.45	313.34	4.92	-48.53
CC1=CC(Br)=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233155	0	35	-1.0	-44.99	314.66	4.96	-40.03
CC1=CC(Br)=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233155	1	35	-1.0	-45.03	314.73	4.97	-40.06
CC1=CC(Br)=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233156	0	41	-1.0	-49.76	336.22	6.66	-43.10
CC1=CC(Br)=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233156	1	41	-1.0	-49.76	336.27	6.66	-43.10
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)CC1	REAL300020233157	0	56	0.0	-70.57	412.22	6.05	-64.52
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CC1	REAL300020233157	1	56	0.0	-70.62	412.28	6.07	-64.55
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)CC1	REAL300020233158	0	53	0.0	-68.10	398.32	5.16	-62.94
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)CC1	REAL300020233158	1	53	0.0	-68.11	398.37	5.17	-62.94
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020233159	0	53	0.0	-66.17	399.48	5.15	-61.02
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020233159	1	53	0.0	-66.20	399.56	5.15	-61.05
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)CC1	REAL300020233160	0	59	0.0	-59.07	426.38	6.21	-52.86
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)CC1	REAL300020233160	1	59	0.0	-59.00	426.43	6.22	-52.78
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)C=C1	REAL300020233161	0	43	-2.0	-96.13	374.28	4.02	-92.11
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)C=C1	REAL300020233161	1	43	-2.0	-96.11	374.34	4.04	-92.07
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)S2)C=C1	REAL300020233162	0	40	-2.0	-120.25	358.45	2.90	-117.35
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)S2)C=C1	REAL300020233162	1	40	-2.0	-120.25	358.51	2.92	-117.33
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020233163	0	40	-2.0	-97.82	359.20	2.96	-94.86
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020233163	1	40	-2.0	-97.86	359.27	2.97	-94.89
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)=CC(C)=C1	REAL300020233164	0	45	-2.0	-98.34	387.16	5.91	-92.43
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)=CC(C)=C1	REAL300020233164	1	45	-2.0	-98.29	387.22	5.92	-92.37
CC1=CC(C2=NN=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)S2)=CC(C)=C1	REAL300020233165	0	42	-2.0	-122.97	371.33	4.80	-118.17
CC1=CC(C2=NN=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)S2)=CC(C)=C1	REAL300020233165	1	42	-2.0	-122.97	371.39	4.82	-118.15
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)=CC(C)=C1	REAL300020233166	0	42	-2.0	-100.04	372.08	4.85	-95.19
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)=CC(C)=C1	REAL300020233166	1	42	-2.0	-100.06	372.15	4.86	-95.20
CC1=CC(C2=NN=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)=CC(C)=C1	REAL300020233167	0	48	-2.0	-119.83	395.74	6.90	-112.93
CC1=CC(C2=NN=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)=CC(C)=C1	REAL300020233167	1	48	-2.0	-119.90	395.79	6.90	-113.00
CC1=CN=NC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233168	0	36	-1.0	-45.15	311.74	2.77	-42.38
CC1=CN=NC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233168	1	36	-1.0	-45.13	311.68	2.74	-42.39
CSCC[C@H](NC(=O)NC1=CN=NC=C1C)C1=N[N-]N=N1	REAL300020233169	0	36	-1.0	-48.55	320.12	1.29	-47.26
CSCC[C@H](NC(=O)NC1=CN=NC=C1C)C1=NN=N[N-]1	REAL300020233169	1	36	-1.0	-48.58	320.18	1.31	-47.27
CC1=CN=NC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233170	0	39	-1.0	-54.42	298.33	3.09	-51.33
CC1=CN=NC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233170	1	39	-1.0	-54.46	298.37	3.13	-51.33
COC1=CC=C(CN2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)C=C1	REAL300020233171	0	49	-1.0	-48.47	396.90	6.23	-42.24
COC1=CC=C(CN2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)C=C1	REAL300020233171	1	49	-1.0	-48.49	396.85	6.21	-42.28
COC1=CC=C(CN2C=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=C1	REAL300020233172	0	46	-1.0	-56.85	381.43	5.30	-51.55
COC1=CC=C(CN2C=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=C1	REAL300020233172	1	46	-1.0	-56.89	381.37	5.30	-51.59
COC1=CC=C(CN2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020233173	0	46	-1.0	-47.54	382.92	5.37	-42.17
COC1=CC=C(CN2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020233173	1	46	-1.0	-47.54	382.85	5.35	-42.19
COC1=CC=C(CN2C=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)C=C1	REAL300020233174	0	52	-1.0	-52.04	404.87	7.11	-44.93
COC1=CC=C(CN2C=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)C=C1	REAL300020233174	1	52	-1.0	-52.01	404.83	7.11	-44.90
CC1=NC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233175	0	36	-1.0	-46.40	316.02	4.24	-42.16
CC1=NC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233175	1	36	-1.0	-46.40	315.97	4.21	-42.19
CSCC[C@H](NC(=O)NC1=CC=NC(C)=N1)C1=N[N-]N=N1	REAL300020233176	0	36	-1.0	-51.80	324.97	2.81	-48.99
CSCC[C@H](NC(=O)NC1=CC=NC(C)=N1)C1=NN=N[N-]1	REAL300020233176	1	36	-1.0	-51.80	325.02	2.82	-48.98
CC1=NC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020233177	0	39	-1.0	-44.78	309.65	3.75	-41.03
CC1=NC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020233177	1	39	-1.0	-44.76	309.69	3.76	-41.00
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020233178	0	42	-1.0	-46.73	355.83	5.17	-41.56
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020233178	1	42	-1.0	-46.72	355.88	5.18	-41.54
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020233179	0	39	-1.0	-58.85	340.24	4.29	-54.56
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020233179	1	39	-1.0	-58.87	340.30	4.30	-54.57
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020233180	0	39	-1.0	-47.09	341.65	4.35	-42.74
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020233180	1	39	-1.0	-47.07	341.73	4.35	-42.72
O=C(NC1=CC(Cl)=CC=C1OC1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233181	0	49	-1.0	-43.87	395.46	7.15	-36.72
O=C(NC1=CC(Cl)=CC=C1OC1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233181	1	49	-1.0	-43.86	395.52	7.16	-36.70
O=C(NC1=CC(Cl)=CC=C1OC1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020233182	0	46	-1.0	-54.06	378.31	6.22	-47.84
O=C(NC1=CC(Cl)=CC=C1OC1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020233182	1	46	-1.0	-54.09	378.37	6.24	-47.85
O=C(NC1=CC(Cl)=CC=C1OC1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233183	0	46	-1.0	-43.57	380.19	6.29	-37.28
O=C(NC1=CC(Cl)=CC=C1OC1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233183	1	46	-1.0	-43.54	380.26	6.31	-37.23
O=C(NC1=CC=C2C(=C1)CCC(=O)N2CC1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233184	0	53	-1.0	-45.81	413.75	7.61	-38.20
O=C(NC1=CC=C2C(=C1)CCC(=O)N2CC1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233184	1	53	-1.0	-45.80	413.81	7.63	-38.17
O=C(NC1=CC=C2C(=C1)CCC(=O)N2CC1CC1)N1CCCC1C1=N[N-]N=N1	REAL300020233185	0	50	-1.0	-55.28	398.14	6.75	-48.53
O=C(NC1=CC=C2C(=C1)CCC(=O)N2CC1CC1)N1CCCC1C1=NN=N[N-]1	REAL300020233185	1	50	-1.0	-55.32	398.19	6.77	-48.55
O=C(NC1=CC=C2C(=C1)CCC(=O)N2CC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233186	0	50	-1.0	-45.98	399.35	6.77	-39.21
O=C(NC1=CC=C2C(=C1)CCC(=O)N2CC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233186	1	50	-1.0	-46.03	399.43	6.79	-39.24
COC1=CC(Cl)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233187	0	39	-1.0	-42.83	348.38	4.75	-38.08
COC1=CC(Cl)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233187	1	39	-1.0	-42.78	348.33	4.72	-38.06
COC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233188	0	39	-1.0	-42.20	328.66	4.24	-37.96
COC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233188	1	39	-1.0	-42.21	328.71	4.26	-37.95
COC1=CC(Cl)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233189	0	36	-1.0	-51.04	313.23	3.32	-47.72
COC1=CC(Cl)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233189	1	36	-1.0	-51.06	313.29	3.35	-47.71
COC1=CC(Cl)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020233190	0	39	-1.0	-44.68	356.75	3.28	-41.40
COC1=CC(Cl)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020233190	1	39	-1.0	-44.67	356.81	3.30	-41.37
COC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233191	0	36	-1.0	-41.78	314.62	3.37	-38.41
COC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233191	1	36	-1.0	-41.74	314.70	3.38	-38.36
COC1=CC(Cl)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233192	0	42	-1.0	-40.20	340.81	4.47	-35.73
COC1=CC(Cl)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233192	1	42	-1.0	-40.24	340.85	4.47	-35.77
O=C(NC1=CC(Cl)=CC=C1OCC1CCOC1)N1CCCC1C1=N[N-]N=N1	REAL300020233193	0	47	-1.0	-56.10	391.24	4.37	-51.73
O=C(NC1=CC(Cl)=CC=C1OCC1CCOC1)N1CCCC1C1=NN=N[N-]1	REAL300020233193	1	47	-1.0	-56.13	391.30	4.40	-51.73
O=C(NC1=CC(Cl)=CC=C1OCC1CCOC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233194	0	47	-1.0	-46.02	393.43	4.43	-41.59
O=C(NC1=CC(Cl)=CC=C1OCC1CCOC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233194	1	47	-1.0	-46.03	393.51	4.45	-41.58
CC(=O)N1CCC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C21	REAL300020233195	0	46	-1.0	-49.16	380.72	5.87	-43.29
CC(=O)N1CCC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C21	REAL300020233195	1	46	-1.0	-49.16	380.66	5.84	-43.32
CC(=O)N1CCC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300020233196	0	46	-1.0	-50.32	363.25	5.35	-44.97
CC(=O)N1CCC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300020233196	1	46	-1.0	-50.37	363.30	5.37	-45.00
CC(=O)N1CCC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020233197	0	43	-1.0	-60.86	347.01	4.44	-56.42
CC(=O)N1CCC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020233197	1	43	-1.0	-60.84	347.06	4.46	-56.38
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCN2C(C)=O)C1=N[N-]N=N1	REAL300020233198	0	46	-1.0	-55.68	392.38	4.50	-51.18
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCN2C(C)=O)C1=NN=N[N-]1	REAL300020233198	1	46	-1.0	-55.72	392.44	4.52	-51.20
CC(=O)N1CCC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020233199	0	43	-1.0	-51.43	348.00	4.52	-46.91
CC(=O)N1CCC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020233199	1	43	-1.0	-51.45	348.07	4.53	-46.92
CC(=O)N1CCC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020233200	0	49	-1.0	-57.87	369.91	6.23	-51.64
CC(=O)N1CCC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020233200	1	49	-1.0	-57.87	369.96	6.24	-51.63
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233201	0	39	-2.0	-94.47	361.04	5.09	-89.38
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233201	1	39	-2.0	-94.49	361.10	5.11	-89.38
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020233202	0	36	-2.0	-118.09	345.26	3.98	-114.11
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020233202	1	36	-2.0	-118.05	345.32	4.01	-114.04
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233203	0	36	-2.0	-96.05	346.00	4.03	-92.02
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233203	1	36	-2.0	-96.03	346.07	4.04	-91.99
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(F)C=C2NC(=O)CCC2=C1	REAL300020233204	0	43	-1.0	-50.64	367.63	4.07	-46.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(F)C=C2NC(=O)CCC2=C1	REAL300020233204	1	43	-1.0	-50.61	367.58	4.05	-46.56
O=C(NC1=C(F)C=C2NC(=O)CCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233205	0	43	-1.0	-43.15	348.04	3.58	-39.57
O=C(NC1=C(F)C=C2NC(=O)CCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233205	1	43	-1.0	-43.18	348.10	3.60	-39.58
O=C(NC1=C(F)C=C2NC(=O)CCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233206	0	40	-1.0	-51.07	334.27	2.68	-48.39
O=C(NC1=C(F)C=C2NC(=O)CCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233206	1	40	-1.0	-51.04	334.33	2.71	-48.33
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1F)NC(=O)CC2)C1=N[N-]N=N1	REAL300020233207	0	43	-1.0	-45.03	376.96	2.63	-42.40
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1F)NC(=O)CC2)C1=NN=N[N-]1	REAL300020233207	1	43	-1.0	-45.08	377.02	2.64	-42.44
O=C(NC1=C(F)C=C2NC(=O)CCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233208	0	40	-1.0	-43.71	335.64	2.74	-40.97
O=C(NC1=C(F)C=C2NC(=O)CCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233208	1	40	-1.0	-43.73	335.71	2.75	-40.98
O=C(NC1=C(F)C=C2NC(=O)CCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233209	0	46	-1.0	-47.96	357.46	4.46	-43.50
O=C(NC1=C(F)C=C2NC(=O)CCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233209	1	46	-1.0	-47.98	357.51	4.46	-43.52
COCCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020233210	0	53	-1.0	-45.94	410.09	5.57	-40.37
COCCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020233210	1	53	-1.0	-45.94	410.15	5.58	-40.36
COCCN1C(=O)CCC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020233211	0	50	-1.0	-59.45	397.26	5.00	-54.45
COCCN1C(=O)CCC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020233211	1	50	-1.0	-59.49	397.32	5.01	-54.48
COCCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020233212	0	50	-1.0	-48.98	398.64	5.06	-43.92
COCCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020233212	1	50	-1.0	-49.00	398.71	5.06	-43.94
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC)=N1	REAL300020233213	0	44	-1.0	-41.90	383.95	2.28	-39.62
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC)=N1	REAL300020233213	1	44	-1.0	-41.86	383.89	2.26	-39.60
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=N1	REAL300020233214	0	44	-1.0	-42.72	363.48	1.61	-41.11
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=N1	REAL300020233214	1	44	-1.0	-42.73	363.42	1.60	-41.13
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OC)=N1	REAL300020233215	0	41	-1.0	-51.16	349.81	0.89	-50.27
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OC)=N1	REAL300020233215	1	41	-1.0	-51.11	349.75	0.87	-50.24
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=N1	REAL300020233216	0	44	-1.0	-45.17	394.13	0.84	-44.33
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=N1	REAL300020233216	1	44	-1.0	-45.20	394.08	0.82	-44.38
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=N1	REAL300020233217	0	41	-1.0	-42.72	351.18	0.93	-41.79
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=N1	REAL300020233217	1	41	-1.0	-42.72	351.11	0.93	-41.79
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=N1	REAL300020233218	0	47	-1.0	-42.01	377.76	2.00	-40.01
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=N1	REAL300020233218	1	47	-1.0	-41.98	377.72	2.00	-39.98
COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Br	REAL300020233219	0	39	-1.0	-42.64	331.49	4.41	-38.23
COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Br	REAL300020233219	1	39	-1.0	-42.66	331.54	4.43	-38.23
COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1Br	REAL300020233220	0	36	-1.0	-51.65	315.30	3.48	-48.17
COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1Br	REAL300020233220	1	36	-1.0	-51.69	315.36	3.50	-48.19
COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020233221	0	36	-1.0	-42.78	317.58	3.55	-39.23
COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020233221	1	36	-1.0	-42.81	317.66	3.56	-39.25
COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020233222	0	42	-1.0	-48.26	339.49	5.30	-42.96
COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020233222	1	42	-1.0	-48.31	339.55	5.30	-43.01
CC(C)(C)C1=CC=C(CN2N=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020233223	0	54	-1.0	-54.07	425.09	8.32	-45.75
CC(C)(C)C1=CC=C(CN2N=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020233223	1	54	-1.0	-54.02	425.03	8.30	-45.72
CC(C)(C)C1=CC=C(CN2N=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020233224	0	54	-1.0	-44.30	426.60	8.36	-35.94
CC(C)(C)C1=CC=C(CN2N=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020233224	1	54	-1.0	-44.30	426.52	8.35	-35.95
CC(C)OC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020233225	0	44	-1.0	-45.31	371.49	3.41	-41.90
CC(C)OC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020233225	1	44	-1.0	-45.30	371.43	3.38	-41.92
CC(C)OC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020233226	0	44	-1.0	-42.80	353.20	2.88	-39.92
CC(C)OC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020233226	1	44	-1.0	-42.75	353.14	2.86	-39.89
CC(C)OC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300020233227	0	41	-1.0	-56.81	337.92	1.96	-54.85
CC(C)OC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL300020233227	1	41	-1.0	-56.75	337.86	1.95	-54.80
CSCC[C@H](NC(=O)NC1=CC=NC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300020233228	0	44	-1.0	-45.38	381.42	1.92	-43.46
CSCC[C@H](NC(=O)NC1=CC=NC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300020233228	1	44	-1.0	-45.39	381.36	1.91	-43.48
CC(C)OC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020233229	0	41	-1.0	-47.50	339.31	2.02	-45.48
CC(C)OC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020233229	1	41	-1.0	-47.54	339.23	2.02	-45.52
CC(C)OC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020233230	0	47	-1.0	-41.97	365.92	3.03	-38.94
CC(C)OC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020233230	1	47	-1.0	-41.94	365.87	3.03	-38.91
N#CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC1=CC=CC=C1	REAL300020233231	0	47	-1.0	-44.62	393.74	7.48	-37.14
N#CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC1=CC=CC=C1	REAL300020233231	1	47	-1.0	-44.62	393.80	7.50	-37.12
N#CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC1=CC=CC=C1	REAL300020233232	0	44	-1.0	-51.52	377.97	6.62	-44.90
N#CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC1=CC=CC=C1	REAL300020233232	1	44	-1.0	-51.60	378.03	6.63	-44.97
N#CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC1=CC=CC=C1	REAL300020233233	0	44	-1.0	-45.05	380.01	6.67	-38.38
N#CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC1=CC=CC=C1	REAL300020233233	1	44	-1.0	-45.04	380.08	6.68	-38.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C2NC=CC2=CC=C1	REAL300020233234	0	39	-1.0	-43.92	333.55	4.83	-39.09
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C2NC=CC2=CC=C1	REAL300020233234	1	39	-1.0	-43.95	333.49	4.80	-39.15
O=C(NC1=C2NC=CC2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233235	0	39	-1.0	-44.72	313.92	4.34	-40.38
O=C(NC1=C2NC=CC2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233235	1	39	-1.0	-44.75	313.98	4.35	-40.40
CSCC[C@H](NC(=O)NC1=C2NC=CC2=CC=C1)C1=N[N-]N=N1	REAL300020233236	0	39	-1.0	-48.55	342.83	3.38	-45.17
CSCC[C@H](NC(=O)NC1=C2NC=CC2=CC=C1)C1=NN=N[N-]1	REAL300020233236	1	39	-1.0	-48.54	342.89	3.39	-45.15
O=C(NC1=C2NC=CC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233237	0	42	-1.0	-53.09	321.57	5.19	-47.90
O=C(NC1=C2NC=CC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233237	1	42	-1.0	-53.11	321.61	5.20	-47.91
COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1F	REAL300020233238	0	39	-1.0	-42.54	337.08	4.20	-38.34
COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1F	REAL300020233238	1	39	-1.0	-42.49	337.03	4.18	-38.31
COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1F	REAL300020233239	0	39	-1.0	-44.62	318.22	3.72	-40.90
COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1F	REAL300020233239	1	39	-1.0	-44.66	318.27	3.73	-40.93
COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1F	REAL300020233240	0	36	-1.0	-52.59	302.90	2.80	-49.79
COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1F	REAL300020233240	1	36	-1.0	-52.62	302.96	2.82	-49.80
COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1F	REAL300020233241	0	39	-1.0	-45.84	346.41	2.76	-43.08
COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1F	REAL300020233241	1	39	-1.0	-45.81	346.46	2.78	-43.03
COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020233242	0	36	-1.0	-43.82	305.08	2.86	-40.96
COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020233242	1	36	-1.0	-43.82	305.15	2.87	-40.95
COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020233243	0	42	-1.0	-49.30	326.90	4.59	-44.71
COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020233243	1	42	-1.0	-49.31	326.95	4.59	-44.72
COC1=CC=CC(CN2N=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=C1OC	REAL300020233244	0	50	-1.0	-58.47	408.56	5.22	-53.25
COC1=CC=CC(CN2N=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=C1OC	REAL300020233244	1	50	-1.0	-58.46	408.50	5.21	-53.25
COC1=CC=CC(CN2N=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020233245	0	50	-1.0	-49.06	410.05	5.27	-43.79
COC1=CC=CC(CN2N=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020233245	1	50	-1.0	-49.01	409.98	5.25	-43.76
COC1=CC=C(CN2N=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)C(OC)=C1	REAL300020233246	0	50	-1.0	-57.41	407.27	4.63	-52.78
COC1=CC=C(CN2N=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)C(OC)=C1	REAL300020233246	1	50	-1.0	-57.46	407.21	4.60	-52.86
COC1=CC=C(CN2N=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020233247	0	50	-1.0	-47.38	408.76	4.66	-42.72
COC1=CC=C(CN2N=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020233247	1	50	-1.0	-47.43	408.69	4.64	-42.79
CC(C)CCN1N=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233248	0	47	-1.0	-42.16	385.81	6.38	-35.78
CC(C)CCN1N=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233248	1	47	-1.0	-42.15	385.75	6.35	-35.80
CC(C)CCN1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233249	0	47	-1.0	-43.74	366.60	5.90	-37.84
CC(C)CCN1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233249	1	47	-1.0	-43.76	366.54	5.89	-37.87
CC(C)CCN1N=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233250	0	44	-1.0	-52.80	351.18	5.01	-47.79
CC(C)CCN1N=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233250	1	44	-1.0	-52.85	351.12	4.98	-47.87
CSCC[C@H](NC(=O)NC1=CC=NN1CCC(C)C)C1=NN=N[N-]1	REAL300020233251	0	47	-1.0	-46.08	394.79	4.95	-41.13
CSCC[C@H](NC(=O)NC1=CC=NN1CCC(C)C)C1=N[N-]N=N1	REAL300020233251	1	47	-1.0	-46.12	394.73	4.94	-41.18
CC(C)CCN1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233252	0	44	-1.0	-43.52	352.67	5.06	-38.46
CC(C)CCN1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233252	1	44	-1.0	-43.56	352.60	5.05	-38.51
CC(C)CCN1N=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233253	0	50	-1.0	-50.11	374.63	6.78	-43.33
CC(C)CCN1N=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233253	1	50	-1.0	-50.13	374.58	6.78	-43.35
O=C(NC1=CC=NN1CC1=CC=C(Cl)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233254	0	42	-1.0	-55.04	371.52	6.56	-48.48
O=C(NC1=CC=NN1CC1=CC=C(Cl)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233254	1	42	-1.0	-55.08	371.46	6.55	-48.53
O=C(NC1=CC=NN1CC1=CC=C(Cl)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233255	0	42	-1.0	-46.54	372.98	6.61	-39.93
O=C(NC1=CC=NN1CC1=CC=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233255	1	42	-1.0	-46.52	372.91	6.59	-39.93
O=C(NC1=CC=CC2=C1CN(CC(F)(F)F)C2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233256	0	47	-1.0	-46.28	364.74	3.40	-42.88
O=C(NC1=CC=CC2=C1CN(CC(F)(F)F)C2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233256	1	47	-1.0	-46.32	364.80	3.42	-42.90
O=C(NC1=CC=CC2=C1CN(CC(F)(F)F)C2)N1CCCC1C1=N[N-]N=N1	REAL300020233257	0	44	-1.0	-55.95	363.96	3.25	-52.70
O=C(NC1=CC=CC2=C1CN(CC(F)(F)F)C2)N1CCCC1C1=NN=N[N-]1	REAL300020233257	1	44	-1.0	-55.95	364.01	3.26	-52.69
O=C(NC1=CC=CC2=C1CN(CC(F)(F)F)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020233258	0	44	-1.0	-45.61	365.02	3.43	-42.18
O=C(NC1=CC=CC2=C1CN(CC(F)(F)F)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020233258	1	44	-1.0	-45.63	365.09	3.44	-42.19
CC(C)(C)OC(=O)NCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020233259	0	52	-1.0	-55.36	416.65	3.82	-51.54
CC(C)(C)OC(=O)NCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020233259	1	52	-1.0	-55.37	416.71	3.83	-51.54
CC(C)(C)OC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020233260	0	52	-1.0	-46.70	417.77	3.91	-42.79
CC(C)(C)OC(=O)NCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020233260	1	52	-1.0	-46.70	417.84	3.91	-42.79
O=C(NC1=CC=C(C(=O)N2CCOCC2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233261	0	47	-1.0	-59.98	382.43	2.95	-57.03
O=C(NC1=CC=C(C(=O)N2CCOCC2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233261	1	47	-1.0	-59.96	382.49	2.96	-57.00
O=C(NC1=CC=C(C(=O)N2CCOCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233262	0	47	-1.0	-54.85	383.61	3.01	-51.84
O=C(NC1=CC=C(C(=O)N2CCOCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233262	1	47	-1.0	-54.86	383.69	3.02	-51.84
CC(C1CC1)N1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020233263	0	45	-1.0	-45.19	377.07	5.46	-39.73
CC(C1CC1)N1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020233263	1	45	-1.0	-45.20	377.01	5.44	-39.76
CC(C1CC1)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020233264	0	45	-1.0	-47.10	357.90	4.99	-42.11
CC(C1CC1)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020233264	1	45	-1.0	-47.06	357.85	4.98	-42.08
CC(C1CC1)N1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020233265	0	42	-1.0	-58.20	340.81	4.00	-54.20
CC(C1CC1)N1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020233265	1	42	-1.0	-58.17	340.75	3.97	-54.20
CSCC[C@H](NC(=O)NC1=CN(C(C)C2CC2)N=C1)C1=NN=N[N-]1	REAL300020233266	0	45	-1.0	-51.13	386.05	4.05	-47.08
CSCC[C@H](NC(=O)NC1=CN(C(C)C2CC2)N=C1)C1=N[N-]N=N1	REAL300020233266	1	45	-1.0	-51.14	385.99	4.03	-47.11
CC(C1CC1)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020233267	0	42	-1.0	-47.70	343.92	4.12	-43.58
CC(C1CC1)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020233267	1	42	-1.0	-47.64	343.84	4.11	-43.53
CC(C1CC1)N1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020233268	0	48	-1.0	-55.23	365.88	5.87	-49.36
CC(C1CC1)N1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020233268	1	48	-1.0	-55.23	365.84	5.87	-49.36
O=C(NC1=CC=NN1CC1=CC=C(F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233269	0	45	-1.0	-44.01	389.94	7.44	-36.57
O=C(NC1=CC=NN1CC1=CC=C(F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233269	1	45	-1.0	-44.08	389.89	7.42	-36.66
O=C(NC1=CC=NN1CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233270	0	45	-1.0	-45.71	370.71	6.96	-38.75
O=C(NC1=CC=NN1CC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233270	1	45	-1.0	-45.68	370.66	6.94	-38.74
O=C(NC1=CC=NN1CC1=CC=C(F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233271	0	42	-1.0	-54.10	355.27	6.06	-48.04
O=C(NC1=CC=NN1CC1=CC=C(F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233271	1	42	-1.0	-54.14	355.22	6.05	-48.09
CSCC[C@H](NC(=O)NC1=CC=NN1CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020233272	0	45	-1.0	-47.25	398.92	6.02	-41.23
CSCC[C@H](NC(=O)NC1=CC=NN1CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020233272	1	45	-1.0	-47.23	398.87	6.00	-41.23
O=C(NC1=CC=NN1CC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233273	0	42	-1.0	-45.59	356.79	6.10	-39.49
O=C(NC1=CC=NN1CC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233273	1	42	-1.0	-45.59	356.72	6.09	-39.50
O=C(NC1=CC=NN1CC1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233274	0	48	-1.0	-50.10	378.77	7.85	-42.25
O=C(NC1=CC=NN1CC1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233274	1	48	-1.0	-50.12	378.74	7.84	-42.28
CC(C)(C)N1N=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233275	0	44	-1.0	-42.48	357.23	5.71	-36.77
CC(C)(C)N1N=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233275	1	44	-1.0	-42.48	357.18	5.69	-36.79
CC(C)(C)N1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233276	0	44	-1.0	-43.97	338.05	5.24	-38.73
CC(C)(C)N1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233276	1	44	-1.0	-43.97	337.99	5.23	-38.74
CC(C)(C)N1N=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233277	0	41	-1.0	-54.60	322.59	4.32	-50.28
CC(C)(C)N1N=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233277	1	41	-1.0	-54.64	322.54	4.30	-50.34
CSCC[C@H](NC(=O)NC1=CC=NN1C(C)(C)C)C1=NN=N[N-]1	REAL300020233278	0	44	-1.0	-47.27	366.22	4.29	-42.98
CSCC[C@H](NC(=O)NC1=CC=NN1C(C)(C)C)C1=N[N-]N=N1	REAL300020233278	1	44	-1.0	-47.29	366.16	4.27	-43.02
CC(C)(C)N1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233279	0	41	-1.0	-44.26	324.09	4.37	-39.89
CC(C)(C)N1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233279	1	41	-1.0	-44.27	324.02	4.36	-39.91
CC(C)(C)N1N=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233280	0	47	-1.0	-51.96	346.60	6.22	-45.74
CC(C)(C)N1N=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233280	1	47	-1.0	-51.96	346.55	6.22	-45.74
O=C(NC1=CC=NN1CC1CCOC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233281	0	46	-1.0	-43.98	375.21	4.47	-39.51
O=C(NC1=CC=NN1CC1CCOC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233281	1	46	-1.0	-43.94	375.16	4.45	-39.49
O=C(NC1=CC=NN1CC1CCOC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233282	0	46	-1.0	-44.34	356.04	3.99	-40.35
O=C(NC1=CC=NN1CC1CCOC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233282	1	46	-1.0	-44.38	355.98	3.98	-40.40
O=C(NC1=CC=NN1CC1CCOC1)N1CCCC1C1=NN=N[N-]1	REAL300020233283	0	43	-1.0	-55.25	347.03	3.07	-52.18
O=C(NC1=CC=NN1CC1CCOC1)N1CCCC1C1=N[N-]N=N1	REAL300020233283	1	43	-1.0	-55.28	346.97	3.05	-52.23
CSCC[C@H](NC(=O)NC1=CC=NN1CC1CCOC1)C1=NN=N[N-]1	REAL300020233284	0	46	-1.0	-47.01	384.21	3.05	-43.96
CSCC[C@H](NC(=O)NC1=CC=NN1CC1CCOC1)C1=N[N-]N=N1	REAL300020233284	1	46	-1.0	-47.02	384.16	3.03	-43.99
O=C(NC1=CC=NN1CC1CCOC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233285	0	43	-1.0	-46.26	348.52	3.12	-43.14
O=C(NC1=CC=NN1CC1CCOC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233285	1	43	-1.0	-46.24	348.45	3.12	-43.12
O=C(NC1=CC=NN1CC1CCOC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233286	0	49	-1.0	-50.62	366.06	4.88	-45.74
O=C(NC1=CC=NN1CC1CCOC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233286	1	49	-1.0	-50.64	366.01	4.88	-45.76
CC(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020233287	0	49	-1.0	-49.66	392.26	8.64	-41.02
CC(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020233287	1	49	-1.0	-49.62	392.21	8.62	-41.00
CC(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020233288	0	46	-1.0	-60.58	376.80	7.72	-52.86
CC(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020233288	1	46	-1.0	-60.61	376.74	7.71	-52.90
CC(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020233289	0	46	-1.0	-49.30	378.31	7.77	-41.53
CC(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020233289	1	46	-1.0	-49.26	378.23	7.76	-41.50
CC(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020233290	0	52	-1.0	-58.13	400.26	9.52	-48.61
CC(C)C1=NN(C2=NC=CC=N2)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020233290	1	52	-1.0	-58.13	400.21	9.51	-48.62
O=C(NC1=CC=NN1CC1CC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233291	0	42	-1.0	-42.50	356.92	5.90	-36.60
O=C(NC1=CC=NN1CC1CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233291	1	42	-1.0	-42.44	356.86	5.87	-36.57
O=C(NC1=CC=NN1CC1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233292	0	42	-1.0	-43.74	337.73	5.43	-38.31
O=C(NC1=CC=NN1CC1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233292	1	42	-1.0	-43.68	337.68	5.41	-38.27
O=C(NC1=CC=NN1CC1CC1)N1CCCC1C1=NN=N[N-]1	REAL300020233293	0	39	-1.0	-53.56	322.29	4.52	-49.04
O=C(NC1=CC=NN1CC1CC1)N1CCCC1C1=N[N-]N=N1	REAL300020233293	1	39	-1.0	-53.57	322.23	4.49	-49.08
CSCC[C@H](NC(=O)NC1=CC=NN1CC1CC1)C1=NN=N[N-]1	REAL300020233294	0	42	-1.0	-46.48	365.90	4.47	-42.01
CSCC[C@H](NC(=O)NC1=CC=NN1CC1CC1)C1=N[N-]N=N1	REAL300020233294	1	42	-1.0	-46.45	365.85	4.46	-41.99
O=C(NC1=CC=NN1CC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233295	0	39	-1.0	-44.19	323.77	4.57	-39.62
O=C(NC1=CC=NN1CC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233295	1	39	-1.0	-44.20	323.70	4.55	-39.65
O=C(NC1=CC=NN1CC1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233296	0	45	-1.0	-50.76	346.29	6.41	-44.35
O=C(NC1=CC=NN1CC1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233296	1	45	-1.0	-50.77	346.23	6.40	-44.37
CC1=CN=C(Br)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233297	0	37	-1.0	-50.55	338.30	4.44	-46.11
CC1=CN=C(Br)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233297	1	37	-1.0	-50.52	338.25	4.41	-46.11
CC1=CN=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233298	0	37	-1.0	-44.54	316.93	3.82	-40.72
CC1=CN=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233298	1	37	-1.0	-44.47	316.87	3.81	-40.66
CC1=CN=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233299	0	34	-1.0	-53.67	303.01	2.97	-50.70
CC1=CN=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233299	1	34	-1.0	-53.72	302.95	2.96	-50.76
CSCC[C@H](NC(=O)NC1=CC(Br)=NC=C1C)C1=NN=N[N-]1	REAL300020233300	0	37	-1.0	-48.94	346.53	2.93	-46.01
CSCC[C@H](NC(=O)NC1=CC(Br)=NC=C1C)C1=N[N-]N=N1	REAL300020233300	1	37	-1.0	-48.91	346.47	2.91	-46.00
CC1=CN=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233301	0	34	-1.0	-45.41	304.39	3.04	-42.37
CC1=CN=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233301	1	34	-1.0	-45.41	304.32	3.02	-42.39
CC1=CN=C(Br)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233302	0	40	-1.0	-50.14	325.59	4.73	-45.41
CC1=CN=C(Br)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233302	1	40	-1.0	-50.16	325.54	4.71	-45.45
O=C(NC1=CC=NN1C1CCS(=O)(=O)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233303	0	45	-1.0	-50.52	369.16	1.89	-48.63
O=C(NC1=CC=NN1C1CCS(=O)(=O)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233303	1	45	-1.0	-50.48	369.10	1.88	-48.60
O=C(NC1=CC=NN1C1CCS(=O)(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL300020233304	0	42	-1.0	-60.61	353.28	0.99	-59.62
O=C(NC1=CC=NN1C1CCS(=O)(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL300020233304	1	42	-1.0	-60.61	353.22	0.98	-59.63
O=C(NC1=CC=NN1C1CCS(=O)(=O)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233305	0	42	-1.0	-51.65	355.19	1.02	-50.63
O=C(NC1=CC=NN1C1CCS(=O)(=O)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233305	1	42	-1.0	-51.64	355.11	1.01	-50.63
O=C(NC1=CC=NN1C1CCS(=O)(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233306	0	48	-1.0	-56.60	376.75	2.78	-53.82
O=C(NC1=CC=NN1C1CCS(=O)(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233306	1	48	-1.0	-56.60	376.71	2.78	-53.82
CNS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020233307	0	42	-1.0	-65.27	376.11	0.63	-64.64
CNS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020233307	1	42	-1.0	-65.26	376.05	0.60	-64.66
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020233308	0	42	-1.0	-53.05	356.87	0.15	-52.90
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020233308	1	42	-1.0	-53.04	356.81	0.14	-52.90
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL300020233309	0	39	-1.0	-65.09	341.43	-0.76	-65.85
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL300020233309	1	39	-1.0	-65.08	341.37	-0.78	-65.86
CNS(=O)(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1	REAL300020233310	0	42	-1.0	-55.97	385.11	-0.80	-56.77
CNS(=O)(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1	REAL300020233310	1	42	-1.0	-56.03	385.06	-0.81	-56.84
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020233311	0	39	-1.0	-54.14	342.97	-0.70	-54.84
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020233311	1	39	-1.0	-54.11	342.89	-0.72	-54.83
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020233312	0	45	-1.0	-60.61	365.14	1.01	-59.60
CNS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020233312	1	45	-1.0	-60.62	365.08	1.00	-59.62
O=C(NC1=CC(CC2CC2)=NN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233313	0	52	-1.0	-45.05	414.10	9.48	-35.57
O=C(NC1=CC(CC2CC2)=NN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233313	1	52	-1.0	-45.10	414.15	9.50	-35.60
O=C(NC1=CC(CC2CC2)=NN1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233314	0	49	-1.0	-55.54	398.68	8.59	-46.95
O=C(NC1=CC(CC2CC2)=NN1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233314	1	49	-1.0	-55.51	398.74	8.60	-46.91
O=C(NC1=CC(CC2CC2)=NN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233315	0	49	-1.0	-44.65	400.15	8.64	-36.01
O=C(NC1=CC(CC2CC2)=NN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233315	1	49	-1.0	-44.72	400.22	8.65	-36.07
CC(C)(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL300020233316	0	48	-1.0	-63.87	388.17	0.93	-62.94
CC(C)(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL300020233316	1	48	-1.0	-63.95	388.12	0.91	-63.04
CC(C)(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020233317	0	48	-1.0	-52.78	389.71	0.99	-51.79
CC(C)(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020233317	1	48	-1.0	-52.80	389.64	0.97	-51.83
CC1=CC=NC(N2N=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020233318	0	44	-1.0	-44.51	376.67	7.28	-37.23
CC1=CC=NC(N2N=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020233318	1	44	-1.0	-44.52	376.61	7.25	-37.27
CC1=CC=NC(N2N=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020233319	0	44	-1.0	-46.09	357.41	6.80	-39.29
CC1=CC=NC(N2N=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020233319	1	44	-1.0	-46.11	357.35	6.79	-39.32
CC1=CC=NC(N2N=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020233320	0	41	-1.0	-56.53	342.02	5.90	-50.63
CC1=CC=NC(N2N=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020233320	1	41	-1.0	-56.49	341.96	5.88	-50.61
CSCC[C@H](NC(=O)NC1=CC=NN1C1=CC(C)=CC=N1)C1=NN=N[N-]1	REAL300020233321	0	44	-1.0	-49.58	385.64	5.86	-43.72
CSCC[C@H](NC(=O)NC1=CC=NN1C1=CC(C)=CC=N1)C1=N[N-]N=N1	REAL300020233321	1	44	-1.0	-49.55	385.59	5.85	-43.70
CC1=CC=NC(N2N=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020233322	0	41	-1.0	-45.68	343.51	5.94	-39.74
CC1=CC=NC(N2N=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020233322	1	41	-1.0	-45.70	343.44	5.93	-39.77
CC1=CC=NC(N2N=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020233323	0	47	-1.0	-54.20	366.03	7.78	-46.42
CC1=CC=NC(N2N=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020233323	1	47	-1.0	-54.13	365.98	7.77	-46.36
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Br	REAL300020233324	0	38	-1.0	-46.40	339.22	6.14	-40.26
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Br	REAL300020233324	1	38	-1.0	-46.42	339.17	6.12	-40.30
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Br	REAL300020233325	0	38	-1.0	-41.94	321.52	5.61	-36.33
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Br	REAL300020233325	1	38	-1.0	-41.96	321.58	5.63	-36.33
CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1Br	REAL300020233326	0	35	-1.0	-51.87	305.79	4.74	-47.13
CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1Br	REAL300020233326	1	35	-1.0	-51.83	305.84	4.75	-47.08
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1Br)C1=N[N-]N=N1	REAL300020233327	0	38	-1.0	-45.16	349.34	4.70	-40.46
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1Br)C1=NN=N[N-]1	REAL300020233327	1	38	-1.0	-45.18	349.39	4.71	-40.47
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020233328	0	35	-1.0	-41.83	307.17	4.77	-37.06
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020233328	1	35	-1.0	-41.83	307.25	4.79	-37.04
CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020233329	0	41	-1.0	-47.32	329.06	6.51	-40.81
CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020233329	1	41	-1.0	-47.26	329.12	6.51	-40.75
COC1=NC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233330	0	37	-1.0	-50.43	326.36	1.22	-49.21
COC1=NC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233330	1	37	-1.0	-50.43	326.30	1.20	-49.23
COC1=NC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020233331	0	37	-1.0	-52.86	307.25	0.74	-52.12
COC1=NC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020233331	1	37	-1.0	-52.89	307.19	0.72	-52.17
COC1=NC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020233332	0	37	-1.0	-56.77	335.36	-0.20	-56.97
COC1=NC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020233332	1	37	-1.0	-56.75	335.30	-0.22	-56.97
COC1=NC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020233333	0	40	-1.0	-48.74	320.02	0.76	-47.98
COC1=NC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020233333	1	40	-1.0	-48.73	319.98	0.76	-47.97
COCC(C)N1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233334	0	45	-1.0	-43.29	378.27	4.00	-39.29
COCC(C)N1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233334	1	45	-1.0	-43.24	378.21	3.97	-39.27
COCC(C)N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020233335	0	45	-1.0	-45.08	359.11	3.52	-41.56
COCC(C)N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020233335	1	45	-1.0	-45.07	359.05	3.51	-41.56
COCC(C)N1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020233336	0	42	-1.0	-53.26	343.64	2.61	-50.65
COCC(C)N1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020233336	1	42	-1.0	-53.29	343.58	2.58	-50.71
COCC(C)N1C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020233337	0	45	-1.0	-46.99	387.25	2.57	-44.42
COCC(C)N1C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020233337	1	45	-1.0	-47.00	387.19	2.56	-44.44
COCC(C)N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020233338	0	42	-1.0	-43.96	345.12	2.66	-41.30
COCC(C)N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020233338	1	42	-1.0	-43.93	345.05	2.65	-41.28
COCC(C)N1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020233339	0	48	-1.0	-48.96	367.04	4.40	-44.56
COCC(C)N1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020233339	1	48	-1.0	-48.95	367.01	4.40	-44.55
O=C(NC1=NOC(C2CCOCC2)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233340	0	45	-1.0	-41.03	374.22	4.90	-36.13
O=C(NC1=NOC(C2CCOCC2)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233340	1	45	-1.0	-41.06	374.27	4.92	-36.14
O=C(NC1=NOC(C2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233341	0	45	-1.0	-42.57	354.99	4.43	-38.14
O=C(NC1=NOC(C2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233341	1	45	-1.0	-42.59	355.05	4.45	-38.14
O=C(NC1=NOC(C2CCOCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233342	0	42	-1.0	-49.46	339.58	3.52	-45.94
O=C(NC1=NOC(C2CCOCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233342	1	42	-1.0	-49.45	339.64	3.54	-45.91
CSCC[C@H](NC(=O)NC1=NOC(C2CCOCC2)=C1)C1=N[N-]N=N1	REAL300020233343	0	45	-1.0	-43.86	383.19	3.49	-40.37
CSCC[C@H](NC(=O)NC1=NOC(C2CCOCC2)=C1)C1=NN=N[N-]1	REAL300020233343	1	45	-1.0	-43.86	383.25	3.51	-40.35
O=C(NC1=NOC(C2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233344	0	42	-1.0	-41.29	341.04	3.58	-37.71
O=C(NC1=NOC(C2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233344	1	42	-1.0	-41.30	341.11	3.60	-37.70
O=C(NC1=NOC(C2CCOCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233345	0	48	-1.0	-45.60	363.14	5.32	-40.28
O=C(NC1=NOC(C2CCOCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233345	1	48	-1.0	-45.61	363.18	5.34	-40.27
O=C(CC(F)(F)F)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020233346	0	45	-1.0	-50.56	378.17	4.40	-46.16
O=C(CC(F)(F)F)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020233346	1	45	-1.0	-50.58	378.23	4.41	-46.17
O=C(CC(F)(F)F)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020233347	0	42	-1.0	-59.04	362.31	3.52	-55.52
O=C(CC(F)(F)F)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020233347	1	42	-1.0	-59.02	362.37	3.53	-55.49
O=C(CC(F)(F)F)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020233348	0	42	-1.0	-58.33	364.05	3.55	-54.78
O=C(CC(F)(F)F)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020233348	1	42	-1.0	-58.33	364.13	3.56	-54.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=NON=C21	REAL300020233349	0	36	-1.0	-40.39	317.75	3.63	-36.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=NON=C21	REAL300020233349	1	36	-1.0	-40.37	317.70	3.61	-36.76
O=C(NC1=CC=CC2=NON=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233350	0	36	-1.0	-40.95	298.46	3.17	-37.78
O=C(NC1=CC=CC2=NON=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233350	1	36	-1.0	-40.92	298.40	3.16	-37.76
O=C(NC1=CC=CC2=NON=C21)N1CCCC1C1=NN=N[N-]1	REAL300020233351	0	33	-1.0	-47.52	284.17	2.25	-45.27
O=C(NC1=CC=CC2=NON=C21)N1CCCC1C1=N[N-]N=N1	REAL300020233351	1	33	-1.0	-47.53	284.11	2.23	-45.30
CSCC[C@H](NC(=O)NC1=CC=CC2=NON=C21)C1=NN=N[N-]1	REAL300020233352	0	36	-1.0	-41.86	327.15	2.20	-39.66
CSCC[C@H](NC(=O)NC1=CC=CC2=NON=C21)C1=N[N-]N=N1	REAL300020233352	1	36	-1.0	-41.88	327.10	2.18	-39.70
O=C(NC1=CC=CC2=NON=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020233353	0	33	-1.0	-41.25	285.56	2.30	-38.95
O=C(NC1=CC=CC2=NON=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020233353	1	33	-1.0	-41.21	285.49	2.28	-38.93
O=C(NC1=CC=CC2=NON=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020233354	0	39	-1.0	-45.52	307.45	4.13	-41.39
O=C(NC1=CC=CC2=NON=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020233354	1	39	-1.0	-45.50	307.40	4.13	-41.37
CC1=C(C)SC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233355	0	36	-2.0	-88.76	324.96	3.05	-85.71
CC1=C(C)SC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233355	1	37	-1.0	-40.99	328.21	4.25	-36.74
CC1=C(C)SC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233355	1	36	-2.0	-88.69	324.90	3.03	-85.66
CC1=C(C)SC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233355	1	37	-1.0	-41.02	328.16	4.23	-36.79
CC1=C(C)SC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020233356	0	37	-1.0	-48.07	312.48	4.25	-43.82
CC1=C(C)SC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020233356	1	37	-1.0	-48.09	312.54	4.27	-43.82
CSCC[C@H](NC(=O)NC1=NC(C)=C(C)S1)C1=N[N-]N=N1	REAL300020233357	0	37	-1.0	-44.33	337.14	2.82	-41.51
CSCC[C@H](NC(=O)NC1=NC(C)=C(C)S1)C1=NN=N[N-]1	REAL300020233357	1	37	-1.0	-44.31	337.19	2.84	-41.47
CC1=C(C)SC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020233358	0	40	-1.0	-46.32	317.40	4.64	-41.68
CC1=C(C)SC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020233358	1	40	-1.0	-46.30	317.43	4.65	-41.65
CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233359	0	33	-2.0	-86.38	306.10	2.34	-84.04
CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233359	1	33	-2.0	-86.42	306.05	2.32	-84.10
CC1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233359	1	34	-1.0	-40.33	309.36	3.54	-36.79
CC1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233359	1	34	-1.0	-40.34	309.30	3.52	-36.82
CSCC[C@H](NC(=O)NC1=NC(C)=CS1)C1=N[N-]N=N1	REAL300020233360	0	34	-1.0	-43.30	318.28	2.11	-41.19
CSCC[C@H](NC(=O)NC1=NC(C)=CS1)C1=NN=N[N-]1	REAL300020233360	1	34	-1.0	-43.32	318.34	2.13	-41.19
CSCC[C@H](NC(=O)[N-]C1=NC(C)=CS1)C1=N[N-]N=N1	REAL300020233360	1	33	-2.0	-99.25	315.03	0.91	-98.34
CC1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020233361	0	37	-1.0	-45.15	298.55	3.93	-41.22
CC1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020233361	1	37	-1.0	-45.17	298.57	3.95	-41.22
CC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020233361	1	36	-2.0	-104.87	297.69	3.20	-101.67
CC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020233361	1	36	-2.0	-104.89	297.73	3.22	-101.67
CCC1=C(C)SC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233362	0	39	-2.0	-89.09	346.90	3.79	-85.30
CCC1=C(C)SC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233362	1	40	-1.0	-40.90	349.70	4.98	-35.92
CCC1=C(C)SC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233362	1	39	-2.0	-89.08	346.84	3.77	-85.31
CCC1=C(C)SC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233362	1	40	-1.0	-40.91	349.64	4.95	-35.96
CCC1=C(C)SC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020233363	0	40	-1.0	-42.65	330.86	4.52	-38.13
CCC1=C(C)SC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020233363	1	40	-1.0	-42.66	330.92	4.53	-38.13
CCC1=C(C)SC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020233364	0	37	-1.0	-50.17	314.99	3.58	-46.59
CCC1=C(C)SC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020233364	1	37	-1.0	-50.17	315.05	3.58	-46.59
CCC1=C(C)SC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020233365	0	40	-1.0	-44.23	359.06	3.56	-40.67
CCC1=C(C)SC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020233365	1	40	-1.0	-44.25	359.12	3.58	-40.67
CCC1=C(C)SC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020233366	0	37	-1.0	-41.36	317.89	3.70	-37.66
CCC1=C(C)SC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020233366	1	37	-1.0	-41.31	317.97	3.71	-37.60
CCC1=C(C)SC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020233367	0	43	-1.0	-46.41	338.70	5.35	-41.06
CCC1=C(C)SC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020233367	1	43	-1.0	-46.40	338.75	5.37	-41.03
CCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020233368	0	46	-2.0	-93.77	389.62	6.00	-87.77
CCC1CCC2=C(C1)SC(NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020233368	1	47	-1.0	-45.41	392.88	7.20	-38.21
CCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020233368	1	46	-2.0	-93.79	389.67	6.03	-87.76
CCC1CCC2=C(C1)SC(NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020233368	1	47	-1.0	-45.43	392.93	7.23	-38.20
CCC1CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)=N2	REAL300020233369	0	47	-1.0	-47.61	373.70	6.73	-40.88
CCC1CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)=N2	REAL300020233369	1	47	-1.0	-47.66	373.76	6.75	-40.91
CCC1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020233370	0	44	-1.0	-59.75	358.23	5.82	-53.93
CCC1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=NN=N[N-]1)=N2	REAL300020233370	1	44	-1.0	-59.75	358.29	5.83	-53.92
CCC1CCC2=C(C1)SC(NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)=N2	REAL300020233371	0	47	-1.0	-51.84	401.85	5.79	-46.05
CCC1CCC2=C(C1)SC(NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)=N2	REAL300020233371	1	47	-1.0	-51.83	401.91	5.80	-46.03
CCC1CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020233372	0	44	-1.0	-48.16	359.71	5.87	-42.29
CCC1CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020233372	1	44	-1.0	-48.19	359.78	5.89	-42.30
CCC1CCC2=C(C1)SC(NC(=O)N1CCCCC1CC1=N[N-]N=N1)=N2	REAL300020233373	0	50	-1.0	-55.27	382.16	7.59	-47.68
CCC1CCC2=C(C1)SC(NC(=O)N1CCCCC1CC1=NN=N[N-]1)=N2	REAL300020233373	1	50	-1.0	-55.28	382.21	7.61	-47.67
CC1=CC=C(C2=CN=CC(F)=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233374	0	47	-1.0	-45.09	376.05	6.85	-38.24
CC1=CC=C(C2=CN=CC(F)=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233374	1	47	-1.0	-45.06	375.99	6.84	-38.22
CC1=CC=C(C2=CN=CC(F)=C2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233375	0	44	-1.0	-55.95	361.96	5.96	-49.99
CC1=CC=C(C2=CN=CC(F)=C2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233375	1	44	-1.0	-55.99	361.91	5.94	-50.05
CC1=CC=C(C2=CN=CC(F)=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233376	0	44	-1.0	-46.31	364.30	6.06	-40.25
CC1=CC=C(C2=CN=CC(F)=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233376	1	44	-1.0	-46.30	364.22	6.05	-40.25
CC1=CC=C(C2=CN=CC(F)=C2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233377	0	50	-1.0	-51.00	384.89	7.72	-43.28
CC1=CC=C(C2=CN=CC(F)=C2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233377	1	50	-1.0	-50.99	384.84	7.70	-43.29
O=C(NC1=CC=C(F)C=C1OCCC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020233378	0	42	-1.0	-50.76	364.40	4.99	-45.77
O=C(NC1=CC=C(F)C=C1OCCC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020233378	1	42	-1.0	-50.76	364.46	5.01	-45.75
O=C(NC1=CC=C(F)C=C1OCCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020233379	0	42	-1.0	-42.33	365.79	5.03	-37.30
O=C(NC1=CC=C(F)C=C1OCCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020233379	1	42	-1.0	-42.34	365.86	5.05	-37.29
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1OC(C)C	REAL300020233380	0	51	-1.0	-43.54	402.04	7.07	-36.47
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1OC(C)C	REAL300020233380	1	51	-1.0	-43.60	402.09	7.08	-36.52
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1OC(C)C	REAL300020233381	0	48	-1.0	-51.91	384.61	6.12	-45.79
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1OC(C)C	REAL300020233381	1	48	-1.0	-51.89	384.67	6.14	-45.75
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC(C)C	REAL300020233382	0	48	-1.0	-44.15	384.60	5.99	-38.16
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC(C)C	REAL300020233382	1	48	-1.0	-44.18	384.67	6.01	-38.17
O=C(NC1=CC(Br)=C(Cl)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233383	0	34	-1.0	-40.99	313.88	4.43	-36.56
O=C(NC1=CC(Br)=C(Cl)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233383	1	34	-1.0	-41.02	313.82	4.42	-36.60
O=C(NC1=CC(Br)=C(Cl)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020233384	0	31	-1.0	-53.95	301.22	4.17	-49.78
O=C(NC1=CC(Br)=C(Cl)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020233384	1	31	-1.0	-53.93	301.16	4.15	-49.78
O=C(NC1=CC(Br)=C(Cl)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233385	0	31	-1.0	-44.83	302.59	4.22	-40.61
O=C(NC1=CC(Br)=C(Cl)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233385	1	31	-1.0	-44.83	302.52	4.20	-40.63
O=C(NC1=CC=C(OCC(F)(F)F)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233386	0	39	-1.0	-61.34	355.43	4.63	-56.71
O=C(NC1=CC=C(OCC(F)(F)F)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233386	1	39	-1.0	-61.34	355.49	4.65	-56.69
O=C(NC1=CC=C(OCC(F)(F)F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233387	0	39	-1.0	-49.61	356.84	4.69	-44.92
O=C(NC1=CC=C(OCC(F)(F)F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233387	1	39	-1.0	-49.63	356.91	4.70	-44.93
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233388	0	47	-1.0	-55.01	386.11	8.42	-46.59
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233388	1	47	-1.0	-54.94	386.05	8.39	-46.55
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233389	0	47	-1.0	-43.02	366.04	7.92	-35.10
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233389	1	47	-1.0	-43.02	366.10	7.93	-35.09
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233390	0	44	-1.0	-54.71	349.69	6.77	-47.94
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233390	1	44	-1.0	-54.72	349.75	6.79	-47.93
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL300020233391	0	47	-1.0	-46.91	393.92	6.81	-40.10
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL300020233391	1	47	-1.0	-46.91	393.97	6.83	-40.08
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233392	0	44	-1.0	-43.39	351.22	6.83	-36.56
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233392	1	44	-1.0	-43.35	351.29	6.84	-36.51
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233393	0	50	-1.0	-50.18	375.81	8.85	-41.33
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233393	1	50	-1.0	-50.21	375.87	8.86	-41.35
CC1=CC=C(OCC2=CC=CC=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020233394	0	52	-1.0	-44.84	416.20	8.34	-36.50
CC1=CC=C(OCC2=CC=CC=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020233394	1	52	-1.0	-44.86	416.26	8.36	-36.50
CC1=CC=C(OCC2=CC=CC=C2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020233395	0	49	-1.0	-56.18	400.46	7.47	-48.71
CC1=CC=C(OCC2=CC=CC=C2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020233395	1	49	-1.0	-56.21	400.52	7.48	-48.73
CC1=CC=C(OCC2=CC=CC=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020233396	0	49	-1.0	-45.04	401.84	7.50	-37.54
CC1=CC=C(OCC2=CC=CC=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020233396	1	49	-1.0	-45.00	401.91	7.52	-37.48
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(C)=C1Cl	REAL300020233397	0	41	-1.0	-43.78	356.99	6.51	-37.27
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(C)=C1Cl	REAL300020233397	1	41	-1.0	-43.74	356.93	6.49	-37.25
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C)=C1Cl	REAL300020233398	0	41	-1.0	-42.87	338.23	5.96	-36.91
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C)=C1Cl	REAL300020233398	1	41	-1.0	-42.92	338.28	5.98	-36.94
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1Cl	REAL300020233399	0	38	-1.0	-51.60	322.92	5.04	-46.56
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1Cl	REAL300020233399	1	38	-1.0	-51.62	322.97	5.06	-46.56
CSCC[C@H](NC(=O)NC1=CC(C)=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300020233400	0	41	-1.0	-44.97	366.45	5.01	-39.96
CSCC[C@H](NC(=O)NC1=CC(C)=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300020233400	1	41	-1.0	-44.97	366.51	5.02	-39.95
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C)=C1Cl	REAL300020233401	0	38	-1.0	-43.10	324.29	5.10	-38.00
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1Cl	REAL300020233401	1	38	-1.0	-43.12	324.36	5.11	-38.01
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1Cl	REAL300020233402	0	44	-1.0	-39.45	352.70	6.13	-33.32
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1Cl	REAL300020233402	1	44	-1.0	-39.46	352.75	6.16	-33.30
CC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(N)=O	REAL300020233403	0	49	-1.0	-48.15	404.70	3.65	-44.50
CC(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(N)=O	REAL300020233403	1	49	-1.0	-48.15	404.76	3.68	-44.47
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(N)=O	REAL300020233404	0	49	-1.0	-49.46	385.74	3.16	-46.30
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(N)=O	REAL300020233404	1	49	-1.0	-49.50	385.80	3.18	-46.32
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020233405	0	46	-1.0	-57.35	370.35	2.26	-55.09
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(N)=O	REAL300020233405	1	46	-1.0	-57.38	370.41	2.28	-55.10
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020233406	0	49	-1.0	-50.65	413.86	2.23	-48.42
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)C)C(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020233406	1	49	-1.0	-50.69	413.92	2.25	-48.44
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(N)=O	REAL300020233407	0	46	-1.0	-49.70	372.40	2.39	-47.31
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(N)=O	REAL300020233407	1	46	-1.0	-49.67	372.47	2.40	-47.27
CC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(N)=O	REAL300020233408	0	52	-1.0	-43.14	398.07	3.33	-39.81
CC(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(N)=O	REAL300020233408	1	52	-1.0	-43.09	398.11	3.35	-39.74
CC1=NC(C(F)(F)F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233409	0	40	-1.0	-43.22	357.17	4.99	-38.23
CC1=NC(C(F)(F)F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233409	1	40	-1.0	-43.21	357.23	5.02	-38.19
CC1=NC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233410	0	40	-1.0	-42.11	337.38	4.42	-37.69
CC1=NC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233410	1	40	-1.0	-42.12	337.43	4.44	-37.68
CC1=NC(C(F)(F)F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233411	0	37	-1.0	-49.75	321.92	3.54	-46.21
CC1=NC(C(F)(F)F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233411	1	37	-1.0	-49.71	321.97	3.56	-46.15
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300020233412	0	40	-1.0	-44.26	365.43	3.50	-40.76
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300020233412	1	40	-1.0	-44.28	365.49	3.51	-40.77
CC1=NC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233413	0	37	-1.0	-42.26	322.50	3.53	-38.73
CC1=NC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233413	1	37	-1.0	-42.25	322.58	3.54	-38.71
CC1=NC(C(F)(F)F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233414	0	43	-1.0	-46.46	343.60	5.27	-41.19
CC1=NC(C(F)(F)F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233414	1	43	-1.0	-46.48	343.64	5.28	-41.20
O=C(NC1=CC=C(Cl)C(F)=C1N1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020233415	0	45	-1.0	-48.18	373.17	3.27	-44.91
O=C(NC1=CC=C(Cl)C(F)=C1N1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020233415	1	45	-1.0	-48.11	373.22	3.30	-44.81
O=C(NC1=CC=C(Cl)C(F)=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233416	0	45	-1.0	-40.25	374.47	3.35	-36.90
O=C(NC1=CC=C(Cl)C(F)=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233416	1	45	-1.0	-40.27	374.54	3.36	-36.91
O=C(NC1=CC=C(OCC(F)(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233417	0	42	-1.0	-50.66	361.22	5.04	-45.62
O=C(NC1=CC=C(OCC(F)(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233417	1	42	-1.0	-50.71	361.27	5.05	-45.66
O=C(NC1=CC=C(OCC(F)(F)F)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233418	0	39	-1.0	-63.64	345.63	4.15	-59.49
O=C(NC1=CC=C(OCC(F)(F)F)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233418	1	39	-1.0	-63.61	345.69	4.15	-59.46
O=C(NC1=CC=C(OCC(F)(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233419	0	39	-1.0	-51.19	347.04	4.21	-46.98
O=C(NC1=CC=C(OCC(F)(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233419	1	39	-1.0	-51.25	347.11	4.21	-47.04
O=C(NC1=CC=C(OC(F)F)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233420	0	38	-1.0	-44.49	341.50	2.21	-42.28
O=C(NC1=CC=C(OC(F)F)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233420	1	38	-1.0	-44.48	341.44	2.18	-42.30
O=C(NC1=CC=C(OC(F)F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233421	0	38	-1.0	-50.52	322.38	1.66	-48.86
O=C(NC1=CC=C(OC(F)F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233421	1	38	-1.0	-50.52	322.33	1.65	-48.87
O=C(NC1=CC=C(OC(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233422	0	35	-1.0	-53.91	307.01	0.81	-53.10
O=C(NC1=CC=C(OC(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233422	1	35	-1.0	-53.88	306.95	0.79	-53.09
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)N=C1)C1=NN=N[N-]1	REAL300020233423	0	38	-1.0	-48.24	350.54	0.77	-47.47
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)N=C1)C1=N[N-]N=N1	REAL300020233423	1	38	-1.0	-48.20	350.48	0.76	-47.44
O=C(NC1=CC=C(OC(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233424	0	35	-1.0	-45.75	308.39	0.87	-44.88
O=C(NC1=CC=C(OC(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233424	1	35	-1.0	-45.77	308.32	0.86	-44.91
O=C(NC1=CC=C(OC(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233425	0	41	-1.0	-43.57	336.78	1.86	-41.71
O=C(NC1=CC=C(OC(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233425	1	41	-1.0	-43.57	336.73	1.85	-41.72
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)C=C1C	REAL300020233426	0	45	-1.0	-49.82	370.21	5.72	-44.10
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)C=C1C	REAL300020233426	1	45	-1.0	-49.83	370.15	5.70	-44.13
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)C=C1C	REAL300020233427	0	45	-1.0	-44.69	350.86	5.24	-39.45
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)C=C1C	REAL300020233427	1	45	-1.0	-44.71	350.92	5.25	-39.46
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(C)C=C1C	REAL300020233428	0	42	-1.0	-54.45	335.87	4.28	-50.17
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(C)C=C1C	REAL300020233428	1	42	-1.0	-54.45	335.92	4.31	-50.14
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C)C=C1C	REAL300020233429	0	45	-1.0	-47.33	379.37	4.24	-43.09
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C)C=C1C	REAL300020233429	1	45	-1.0	-47.32	379.43	4.26	-43.06
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)C=C1C	REAL300020233430	0	42	-1.0	-44.89	337.18	4.33	-40.56
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)C=C1C	REAL300020233430	1	42	-1.0	-44.92	337.25	4.34	-40.58
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)C=C1C	REAL300020233431	0	48	-1.0	-50.79	358.77	6.05	-44.74
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)C=C1C	REAL300020233431	1	48	-1.0	-50.77	358.83	6.05	-44.72
COC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020233432	0	34	-2.0	-88.75	318.90	1.74	-87.01
COC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020233432	1	34	-2.0	-88.74	318.85	1.72	-87.02
COC1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020233432	1	35	-1.0	-45.40	322.16	2.93	-42.47
COC1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020233432	1	35	-1.0	-45.40	322.10	2.91	-42.49
COC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020233433	0	35	-1.0	-47.45	302.95	2.44	-45.01
COC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020233433	1	35	-1.0	-47.41	302.90	2.42	-44.99
COC1=CN=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020233434	0	35	-1.0	-51.09	331.14	1.51	-49.58
COC1=CN=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020233434	1	35	-1.0	-51.08	331.08	1.49	-49.59
COC1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020233435	0	38	-1.0	-54.47	311.45	3.31	-51.16
COC1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020233435	1	38	-1.0	-54.43	311.39	3.30	-51.13
CC1=CN(C2=CC=C(Cl)C=C2)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233436	0	45	-1.0	-51.65	382.28	7.89	-43.76
CC1=CN(C2=CC=C(Cl)C=C2)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233436	1	45	-1.0	-51.62	382.22	7.88	-43.74
CC1=CN(C2=CC=C(Cl)C=C2)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233437	0	42	-1.0	-65.25	366.81	6.97	-58.28
CC1=CN(C2=CC=C(Cl)C=C2)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233437	1	42	-1.0	-65.28	366.75	6.96	-58.32
CC1=CN(C2=CC=C(Cl)C=C2)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233438	0	42	-1.0	-52.67	368.29	7.03	-45.64
CC1=CN(C2=CC=C(Cl)C=C2)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233438	1	42	-1.0	-52.66	368.21	7.02	-45.64
CCC(C)C1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020233439	0	45	-1.0	-42.78	374.70	4.59	-38.19
CCC(C)C1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020233439	1	45	-1.0	-42.74	374.64	4.56	-38.18
CCC(C)C1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020233440	0	45	-1.0	-44.32	355.49	4.10	-40.22
CCC(C)C1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020233440	1	45	-1.0	-44.28	355.55	4.11	-40.17
CCC(C)C1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020233441	0	42	-1.0	-54.32	339.91	3.23	-51.09
CCC(C)C1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020233441	1	42	-1.0	-54.39	339.97	3.24	-51.15
CCC(C)C1=NC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020233442	0	45	-1.0	-47.78	383.48	3.18	-44.60
CCC(C)C1=NC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020233442	1	45	-1.0	-47.84	383.54	3.20	-44.64
CCC(C)C1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020233443	0	42	-1.0	-44.26	341.34	3.27	-40.99
CCC(C)C1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020233443	1	42	-1.0	-44.28	341.42	3.28	-41.00
CCC(C)C1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020233444	0	48	-1.0	-39.38	369.92	4.28	-35.10
CCC(C)C1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020233444	1	48	-1.0	-39.40	369.97	4.30	-35.10
COC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C=N1	REAL300020233445	0	51	-1.0	-47.63	401.79	5.27	-42.36
COC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C=N1	REAL300020233445	1	51	-1.0	-47.62	401.73	5.25	-42.37
COC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=N1	REAL300020233446	0	48	-1.0	-64.27	388.65	4.43	-59.84
COC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=N1	REAL300020233446	1	48	-1.0	-64.25	388.60	4.41	-59.84
COC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020233447	0	48	-1.0	-49.13	390.07	4.48	-44.65
COC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020233447	1	48	-1.0	-49.12	390.00	4.47	-44.65
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020233448	0	35	-1.0	-42.71	319.12	3.30	-39.41
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020233448	1	35	-1.0	-42.71	319.06	3.28	-39.43
CSCC[C@H](NC(=O)NC1=CC=C(C#N)N=C1)C1=NN=N[N-]1	REAL300020233449	0	35	-1.0	-44.94	327.91	1.92	-43.02
CSCC[C@H](NC(=O)NC1=CC=C(C#N)N=C1)C1=N[N-]N=N1	REAL300020233449	1	35	-1.0	-44.96	327.85	1.91	-43.05
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020233450	0	38	-1.0	-37.73	314.38	2.98	-34.75
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020233450	1	38	-1.0	-37.71	314.33	2.96	-34.75
O=C(NC1=CC(F)=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233451	0	35	-1.0	-39.65	315.27	5.08	-34.57
O=C(NC1=CC(F)=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233451	1	35	-1.0	-39.65	315.33	5.10	-34.55
O=C(NC1=CC(F)=CC(Br)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020233452	0	32	-1.0	-48.74	301.38	4.16	-44.58
O=C(NC1=CC(F)=CC(Br)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020233452	1	32	-1.0	-48.70	301.44	4.19	-44.51
O=C(NC1=CC(F)=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020233453	0	32	-1.0	-39.95	302.78	4.22	-35.73
O=C(NC1=CC(F)=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020233453	1	32	-1.0	-39.94	302.85	4.23	-35.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C2=CC=CO2)C=C1F	REAL300020233454	0	42	-1.0	-41.77	367.33	6.59	-35.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C2=CC=CO2)C=C1F	REAL300020233454	1	42	-1.0	-41.76	367.28	6.57	-35.19
O=C(NC1=CC=C(C2=CC=CO2)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233455	0	42	-1.0	-42.93	348.68	6.11	-36.82
O=C(NC1=CC=C(C2=CC=CO2)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233455	1	42	-1.0	-42.95	348.73	6.13	-36.82
O=C(NC1=CC=C(C2=CC=CO2)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020233456	0	39	-1.0	-53.24	334.05	5.18	-48.06
O=C(NC1=CC=C(C2=CC=CO2)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020233456	1	39	-1.0	-53.27	334.11	5.21	-48.06
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CO2)C=C1F)C1=N[N-]N=N1	REAL300020233457	0	42	-1.0	-46.51	376.78	5.16	-41.35
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CO2)C=C1F)C1=NN=N[N-]1	REAL300020233457	1	42	-1.0	-46.55	376.84	5.17	-41.38
O=C(NC1=CC=C(C2=CC=CO2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020233458	0	39	-1.0	-43.01	334.63	5.22	-37.79
O=C(NC1=CC=C(C2=CC=CO2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020233458	1	39	-1.0	-43.03	334.71	5.24	-37.79
O=C(NC1=CC=C(C2=CC=CO2)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020233459	0	45	-1.0	-44.11	361.06	6.27	-37.84
O=C(NC1=CC=C(C2=CC=CO2)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020233459	1	45	-1.0	-44.10	361.14	6.28	-37.82
CC1=C(CC2=CC=C(C)C=C2)SC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020233460	0	50	-1.0	-48.76	409.31	8.48	-40.28
CC1=C(CC2=CC=C(C)C=C2)SC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020233460	1	50	-1.0	-48.77	409.36	8.49	-40.28
CC1=C(CC2=CC=C(C)C=C2)SC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020233461	0	47	-1.0	-60.36	397.19	7.69	-52.67
CC1=C(CC2=CC=C(C)C=C2)SC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020233461	1	47	-1.0	-60.33	397.25	7.70	-52.63
CC1=C(CC2=CC=C(C)C=C2)SC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020233462	0	47	-1.0	-49.14	395.33	7.63	-41.51
CC1=C(CC2=CC=C(C)C=C2)SC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020233462	1	47	-1.0	-49.14	395.40	7.65	-41.49
O=C([N-]C1=NC2=C(CCCCCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233463	0	46	-2.0	-95.15	376.01	5.59	-89.56
O=C(NC1=NC2=C(CCCCCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233463	1	47	-1.0	-54.31	379.28	6.79	-47.52
O=C([N-]C1=NC2=C(CCCCCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233463	1	46	-2.0	-95.15	376.07	5.61	-89.54
O=C(NC1=NC2=C(CCCCCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233463	1	47	-1.0	-54.34	379.34	6.81	-47.53
O=C(NC1=NC2=C(CCCCCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233464	0	47	-1.0	-42.65	358.45	5.89	-36.76
O=C(NC1=NC2=C(CCCCCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233464	1	47	-1.0	-42.68	358.50	5.91	-36.77
O=C(NC1=NC2=C(CCCCCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020233465	0	44	-1.0	-60.75	344.98	5.41	-55.34
O=C(NC1=NC2=C(CCCCCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020233465	1	44	-1.0	-60.74	345.04	5.41	-55.33
CSCC[C@H](NC(=O)NC1=NC2=C(CCCCCC2)S1)C1=N[N-]N=N1	REAL300020233466	0	47	-1.0	-52.73	388.23	5.37	-47.36
CSCC[C@H](NC(=O)NC1=NC2=C(CCCCCC2)S1)C1=NN=N[N-]1	REAL300020233466	1	47	-1.0	-52.77	388.29	5.39	-47.38
O=C(NC1=NC2=C(CCCCCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233467	0	44	-1.0	-41.56	344.44	5.04	-36.52
O=C(NC1=NC2=C(CCCCCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233467	1	44	-1.0	-41.52	344.51	5.06	-36.46
O=C(NC1=NC2=C(CCCCCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233468	0	50	-1.0	-55.53	368.54	7.18	-48.35
O=C(NC1=NC2=C(CCCCCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233468	1	50	-1.0	-55.50	368.59	7.19	-48.31
O=C(NC1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020233469	0	48	-1.0	-59.72	396.05	8.02	-51.70
O=C(NC1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020233469	1	48	-1.0	-59.71	396.11	8.04	-51.67
O=C([N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020233469	1	47	-2.0	-119.48	394.65	6.98	-112.50
O=C(NC1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233470	0	48	-1.0	-48.36	397.55	8.07	-40.29
O=C(NC1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233470	1	48	-1.0	-48.36	397.62	8.08	-40.28
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020233471	0	49	-2.0	-93.66	411.11	6.77	-86.89
CCCC1CCC2=C(C1)SC(NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020233471	1	50	-1.0	-53.59	414.38	7.97	-45.62
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020233471	1	49	-2.0	-93.71	411.17	6.79	-86.92
CCCC1CCC2=C(C1)SC(NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020233471	1	50	-1.0	-53.62	414.44	7.99	-45.63
CCCC1CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)=N2	REAL300020233472	0	50	-1.0	-47.41	395.15	7.50	-39.91
CCCC1CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)=N2	REAL300020233472	1	50	-1.0	-47.41	395.21	7.51	-39.90
CCCC1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020233473	0	47	-1.0	-59.80	379.76	6.59	-53.21
CCCC1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=NN=N[N-]1)=N2	REAL300020233473	1	47	-1.0	-59.80	379.82	6.60	-53.20
CCCC1CCC2=C(C1)SC(NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)=N2	REAL300020233474	0	50	-1.0	-51.70	423.35	6.55	-45.15
CCCC1CCC2=C(C1)SC(NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)=N2	REAL300020233474	1	50	-1.0	-51.72	423.41	6.57	-45.15
CCCC1CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020233475	0	47	-1.0	-48.10	381.19	6.64	-41.46
CCCC1CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020233475	1	47	-1.0	-48.13	381.26	6.66	-41.47
CCCC1CCC2=C(C1)SC(NC(=O)N1CCCCC1CC1=N[N-]N=N1)=N2	REAL300020233476	0	53	-1.0	-55.16	403.64	8.36	-46.80
CCCC1CCC2=C(C1)SC(NC(=O)N1CCCCC1CC1=NN=N[N-]1)=N2	REAL300020233476	1	53	-1.0	-55.14	403.69	8.38	-46.76
O=C([N-]C1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233477	0	38	-2.0	-87.98	338.94	1.95	-86.03
O=C([N-]C1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233477	1	38	-2.0	-88.01	338.89	1.93	-86.08
O=C(NC1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233477	1	39	-1.0	-41.19	342.20	3.15	-38.04
O=C(NC1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233477	1	39	-1.0	-41.17	342.15	3.13	-38.04
O=C(NC1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233478	0	39	-1.0	-43.03	322.95	2.67	-40.36
O=C(NC1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233478	1	39	-1.0	-43.07	323.01	2.68	-40.39
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233478	1	38	-2.0	-90.01	321.90	1.82	-88.19
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233478	1	38	-2.0	-90.00	321.96	1.83	-88.17
O=C(NC1=NC2=C(COCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020233479	0	36	-1.0	-49.51	307.51	1.76	-47.75
O=C(NC1=NC2=C(COCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020233479	1	36	-1.0	-49.47	307.56	1.77	-47.70
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020233479	1	35	-2.0	-109.80	306.10	0.71	-109.09
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020233479	1	35	-2.0	-109.77	306.16	0.73	-109.04
CSCC[C@H](NC(=O)NC1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL300020233480	0	39	-1.0	-44.33	351.12	1.72	-42.61
CSCC[C@H](NC(=O)NC1=NC2=C(COCC2)S1)C1=NN=N[N-]1	REAL300020233480	1	39	-1.0	-44.33	351.18	1.74	-42.59
CSCC[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL300020233480	1	38	-2.0	-101.14	347.88	0.52	-100.62
O=C(NC1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233481	0	36	-1.0	-41.40	308.96	1.81	-39.59
O=C(NC1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233481	1	36	-1.0	-41.41	309.03	1.83	-39.58
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233481	1	35	-2.0	-90.24	306.85	0.75	-89.49
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233481	1	35	-2.0	-90.21	306.93	0.77	-89.44
O=C(NC1=NC2=C(COCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233482	0	42	-1.0	-46.64	331.21	3.53	-43.11
O=C(NC1=NC2=C(COCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233482	1	42	-1.0	-46.62	331.26	3.54	-43.08
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233482	1	41	-2.0	-94.70	334.93	2.38	-92.32
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233482	1	41	-2.0	-94.69	334.99	2.39	-92.30
CC(C)(C)C1CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)=N2	REAL300020233483	0	53	-1.0	-47.22	403.22	7.49	-39.73
CC(C)(C)C1CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)=N2	REAL300020233483	1	53	-1.0	-47.27	403.28	7.51	-39.76
CC(C)(C)C1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020233484	0	50	-1.0	-59.55	387.79	6.59	-52.96
CC(C)(C)C1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=NN=N[N-]1)=N2	REAL300020233484	1	50	-1.0	-59.59	387.85	6.61	-52.98
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020233484	1	49	-2.0	-119.73	386.39	5.55	-114.18
CC(C)(C)C1CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020233485	0	50	-1.0	-47.90	389.26	6.65	-41.25
CC(C)(C)C1CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020233485	1	50	-1.0	-47.92	389.33	6.66	-41.26
O=C([N-]C1=NC(C2CCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233486	0	40	-2.0	-87.81	350.72	4.29	-83.52
O=C([N-]C1=NC(C2CCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233486	1	40	-2.0	-87.84	350.66	4.27	-83.57
O=C(NC1=NC(C2CCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233486	1	41	-1.0	-40.06	353.97	5.50	-34.56
O=C(NC1=NC(C2CCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233486	1	41	-1.0	-40.07	353.92	5.47	-34.60
O=C(NC1=NC(C2CCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233487	0	41	-1.0	-41.57	334.69	5.01	-36.56
O=C(NC1=NC(C2CCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233487	1	41	-1.0	-41.62	334.75	5.02	-36.60
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233487	1	40	-2.0	-90.02	333.67	4.17	-85.85
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233487	1	40	-2.0	-90.02	333.73	4.19	-85.83
O=C(NC1=NC(C2CCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020233488	0	38	-1.0	-48.72	319.29	4.10	-44.62
O=C(NC1=NC(C2CCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020233488	1	38	-1.0	-48.74	319.35	4.11	-44.63
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020233488	1	37	-2.0	-110.15	317.88	3.05	-107.10
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020233488	1	37	-2.0	-110.16	317.94	3.07	-107.09
CSCC[C@H](NC(=O)NC1=NC(C2CCC2)=CS1)C1=N[N-]N=N1	REAL300020233489	0	41	-1.0	-43.00	362.90	4.07	-38.93
CSCC[C@H](NC(=O)NC1=NC(C2CCC2)=CS1)C1=NN=N[N-]1	REAL300020233489	1	41	-1.0	-43.01	362.95	4.08	-38.93
CSCC[C@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=N[N-]N=N1	REAL300020233489	1	40	-2.0	-100.90	359.65	2.86	-98.04
O=C(NC1=NC(C2CCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233490	0	38	-1.0	-40.35	320.75	4.14	-36.21
O=C(NC1=NC(C2CCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233490	1	38	-1.0	-40.37	320.82	4.16	-36.21
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233490	1	37	-2.0	-90.11	318.62	3.10	-87.01
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233490	1	37	-2.0	-90.08	318.69	3.11	-86.97
O=C(NC1=NC(C2CCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233491	0	44	-1.0	-45.20	343.19	5.88	-39.32
O=C(NC1=NC(C2CCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233491	1	44	-1.0	-45.21	343.21	5.90	-39.31
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233491	1	43	-2.0	-106.98	342.32	5.15	-101.83
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233491	1	43	-2.0	-106.99	342.36	5.17	-101.82
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233492	0	47	-2.0	-89.20	381.08	5.52	-83.68
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233492	1	47	-2.0	-89.22	381.13	5.55	-83.67
O=C(NC1=NC(C2CC3CCC2C3)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233492	1	48	-1.0	-39.79	384.33	6.73	-33.06
O=C(NC1=NC(C2CC3CCC2C3)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233492	1	48	-1.0	-39.83	384.39	6.75	-33.08
O=C(NC1=NC(C2CC3CCC2C3)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233493	0	48	-1.0	-41.54	365.13	6.26	-35.28
O=C(NC1=NC(C2CC3CCC2C3)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233493	1	48	-1.0	-41.53	365.19	6.28	-35.25
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233493	1	47	-2.0	-91.62	364.08	5.42	-86.20
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233493	1	47	-2.0	-91.61	364.14	5.43	-86.18
O=C(NC1=NC(C2CC3CCC2C3)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020233494	0	45	-1.0	-48.71	349.70	5.34	-43.37
O=C(NC1=NC(C2CC3CCC2C3)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020233494	1	45	-1.0	-48.73	349.76	5.37	-43.36
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020233494	1	44	-2.0	-112.15	348.29	4.30	-107.85
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020233494	1	44	-2.0	-112.14	348.35	4.33	-107.81
CSCC[C@H](NC(=O)NC1=NC(C2CC3CCC2C3)=CS1)C1=N[N-]N=N1	REAL300020233495	0	48	-1.0	-42.89	393.31	5.32	-37.57
CSCC[C@H](NC(=O)NC1=NC(C2CC3CCC2C3)=CS1)C1=NN=N[N-]1	REAL300020233495	1	48	-1.0	-42.89	393.37	5.34	-37.55
CSCC[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=N[N-]N=N1	REAL300020233495	1	47	-2.0	-102.82	390.06	4.12	-98.70
O=C(NC1=NC(C2CC3CCC2C3)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233496	0	45	-1.0	-40.19	351.15	5.40	-34.79
O=C(NC1=NC(C2CC3CCC2C3)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233496	1	45	-1.0	-40.20	351.22	5.40	-34.80
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233496	1	44	-2.0	-91.76	349.04	4.35	-87.41
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233496	1	44	-2.0	-91.73	349.11	4.37	-87.36
O=C(NC1=NC(C2CC3CCC2C3)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233497	0	51	-1.0	-45.84	373.70	7.27	-38.57
O=C(NC1=NC(C2CC3CCC2C3)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233497	1	51	-1.0	-45.83	373.76	7.27	-38.56
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233497	1	50	-2.0	-110.60	372.62	6.28	-104.32
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233497	1	50	-2.0	-110.54	372.66	6.29	-104.25
O=C(NC1=CC=C(C2=CC=C(Cl)S2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233498	0	41	-1.0	-45.24	365.71	5.80	-39.44
O=C(NC1=CC=C(C2=CC=C(Cl)S2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233498	1	41	-1.0	-45.24	365.65	5.79	-39.45
O=C(NC1=CC=C(C2=CC=C(Cl)S2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233499	0	38	-1.0	-52.51	350.16	4.99	-47.52
O=C(NC1=CC=C(C2=CC=C(Cl)S2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233499	1	38	-1.0	-52.49	350.10	4.97	-47.52
O=C(NC1=CC=C(C2=CC=C(Cl)S2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233500	0	38	-1.0	-43.10	351.76	5.01	-38.09
O=C(NC1=CC=C(C2=CC=C(Cl)S2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233500	1	38	-1.0	-43.13	351.69	5.01	-38.12
O=C(NC1=CC=NC(OCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233501	0	48	-1.0	-43.66	392.97	5.00	-38.66
O=C(NC1=CC=NC(OCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233501	1	48	-1.0	-43.66	392.91	4.99	-38.67
O=C(NC1=CC=NC(OCC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233502	0	45	-1.0	-58.07	377.69	4.09	-53.98
O=C(NC1=CC=NC(OCC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233502	1	45	-1.0	-58.04	377.63	4.07	-53.97
CSCC[C@H](NC(=O)NC1=CC=NC(OCC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020233503	0	48	-1.0	-46.28	421.19	4.05	-42.23
CSCC[C@H](NC(=O)NC1=CC=NC(OCC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020233503	1	48	-1.0	-46.28	421.13	4.03	-42.25
O=C(NC1=CC=NC(OCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233504	0	45	-1.0	-48.69	379.08	4.14	-44.55
O=C(NC1=CC=NC(OCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233504	1	45	-1.0	-48.69	379.00	4.14	-44.55
O=C(NC1=CC=NC(OCC2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233505	0	51	-1.0	-42.76	407.39	5.17	-37.59
O=C(NC1=CC=NC(OCC2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233505	1	51	-1.0	-42.79	407.34	5.15	-37.64
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(OC)C(C)=C1OC	REAL300020233506	0	50	-1.0	-41.93	413.67	4.32	-37.61
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(OC)C(C)=C1OC	REAL300020233506	1	50	-1.0	-42.02	413.61	4.30	-37.72
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(OC)C(C)=C1OC	REAL300020233507	0	50	-1.0	-44.63	393.42	3.87	-40.76
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(OC)C(C)=C1OC	REAL300020233507	1	50	-1.0	-44.67	393.47	3.88	-40.79
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(OC)C(C)=C1OC	REAL300020233508	0	47	-1.0	-53.46	382.62	3.00	-50.46
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(OC)C(C)=C1OC	REAL300020233508	1	47	-1.0	-53.46	382.68	3.02	-50.44
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(OC)C(C)=C1OC	REAL300020233509	0	50	-1.0	-46.78	422.98	2.91	-43.87
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(OC)C(C)=C1OC	REAL300020233509	1	50	-1.0	-46.73	423.03	2.92	-43.81
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(OC)C(C)=C1OC	REAL300020233510	0	47	-1.0	-43.27	384.00	3.04	-40.23
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(OC)C(C)=C1OC	REAL300020233510	1	47	-1.0	-43.28	384.08	3.06	-40.22
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(OC)C(C)=C1OC	REAL300020233511	0	53	-1.0	-45.74	411.89	4.12	-41.62
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(OC)C(C)=C1OC	REAL300020233511	1	53	-1.0	-45.72	411.93	4.12	-41.60
O=C(NC1=CC=C(N2CCCCCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233512	0	53	-1.0	-42.09	407.59	6.35	-35.74
O=C(NC1=CC=C(N2CCCCCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233512	1	53	-1.0	-42.09	407.65	6.38	-35.71
O=C(NC1=CC=C(N2CCCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233513	0	53	-1.0	-43.87	388.21	5.88	-37.99
O=C(NC1=CC=C(N2CCCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233513	1	53	-1.0	-43.85	388.27	5.89	-37.96
O=C(NC1=CC=C(N2CCCCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233514	0	50	-1.0	-56.30	372.97	5.00	-51.30
O=C(NC1=CC=C(N2CCCCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233514	1	50	-1.0	-56.29	373.02	5.01	-51.28
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCCCC2)C=C1)C1=N[N-]N=N1	REAL300020233515	0	53	-1.0	-46.28	416.67	4.95	-41.33
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCCCC2)C=C1)C1=NN=N[N-]1	REAL300020233515	1	53	-1.0	-46.25	416.73	4.96	-41.29
O=C(NC1=CC=C(N2CCCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233516	0	50	-1.0	-44.25	374.87	5.06	-39.19
O=C(NC1=CC=C(N2CCCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233516	1	50	-1.0	-44.23	374.95	5.07	-39.16
O=C(NC1=CC=C(N2CCCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233517	0	56	-1.0	-43.15	403.15	5.92	-37.23
O=C(NC1=CC=C(N2CCCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233517	1	56	-1.0	-43.16	403.21	5.92	-37.24
COCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020233518	0	50	-1.0	-47.78	388.60	3.74	-44.04
COCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020233518	1	50	-1.0	-47.78	388.66	3.75	-44.03
COCN1C(=O)CCC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020233519	0	47	-1.0	-55.63	377.70	3.02	-52.61
COCN1C(=O)CCC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020233519	1	47	-1.0	-55.61	377.75	3.03	-52.58
COCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020233520	0	47	-1.0	-45.64	378.28	3.06	-42.58
COCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020233520	1	47	-1.0	-45.64	378.35	3.07	-42.57
COCN1C(=O)CCC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020233521	0	53	-1.0	-40.72	406.37	4.09	-36.63
COCN1C(=O)CCC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020233521	1	53	-1.0	-43.00	406.42	4.11	-38.89
O=C(NC1=CC=CC(Br)=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233522	0	35	-1.0	-40.21	318.15	5.51	-34.70
O=C(NC1=CC=CC(Br)=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233522	1	35	-1.0	-40.17	318.20	5.52	-34.65
O=C(NC1=CC=CC(Br)=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020233523	0	32	-1.0	-48.34	301.97	4.58	-43.76
O=C(NC1=CC=CC(Br)=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020233523	1	32	-1.0	-48.40	302.03	4.60	-43.80
O=C(NC1=CC=CC(Br)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020233524	0	32	-1.0	-40.28	304.23	4.64	-35.64
O=C(NC1=CC=CC(Br)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020233524	1	32	-1.0	-40.30	304.30	4.65	-35.65
O=C(NC1=CC=CC(Br)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020233525	0	38	-1.0	-44.88	326.08	6.38	-38.50
O=C(NC1=CC=CC(Br)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020233525	1	38	-1.0	-44.91	326.14	6.38	-38.53
COC(=O)C1=C(F)C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020233526	0	41	-1.0	-44.65	371.87	5.52	-39.13
COC(=O)C1=C(F)C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020233526	1	41	-1.0	-44.69	371.92	5.55	-39.14
COC(=O)C1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020233527	0	41	-1.0	-46.36	352.68	5.07	-41.29
COC(=O)C1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020233527	1	41	-1.0	-46.37	352.74	5.09	-41.28
COC(=O)C1=C(F)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020233528	0	38	-1.0	-52.56	337.38	4.14	-48.42
COC(=O)C1=C(F)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020233528	1	38	-1.0	-52.60	337.44	4.16	-48.44
COC(=O)C1=C(F)C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020233529	0	41	-1.0	-48.71	380.61	4.14	-44.57
COC(=O)C1=C(F)C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020233529	1	41	-1.0	-48.70	380.67	4.16	-44.54
COC(=O)C1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020233530	0	38	-1.0	-46.14	338.75	4.21	-41.93
COC(=O)C1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020233530	1	38	-1.0	-46.15	338.83	4.22	-41.93
COC(=O)C1=C(F)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020233531	0	44	-1.0	-40.36	365.04	5.22	-35.14
COC(=O)C1=C(F)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020233531	1	44	-1.0	-38.70	365.09	5.23	-33.47
CNC(=O)CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020233532	0	49	-1.0	-49.43	398.31	1.09	-48.34
CNC(=O)CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020233532	1	49	-1.0	-49.44	398.36	1.11	-48.33
CNC(=O)CNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020233533	0	46	-1.0	-71.48	383.94	0.17	-71.31
CNC(=O)CNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020233533	1	46	-1.0	-71.45	384.00	0.18	-71.27
CNC(=O)CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020233534	0	46	-1.0	-56.06	385.30	0.22	-55.84
CNC(=O)CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020233534	1	46	-1.0	-56.12	385.37	0.23	-55.89
N#CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC(F)(F)F	REAL300020233535	0	40	-1.0	-43.02	350.39	4.48	-38.54
N#CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC(F)(F)F	REAL300020233535	1	40	-1.0	-43.05	350.45	4.49	-38.56
N#CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300020233536	0	37	-1.0	-57.37	334.68	3.61	-53.76
N#CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300020233536	1	37	-1.0	-57.42	334.74	3.62	-53.80
N#CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)(F)F	REAL300020233537	0	37	-1.0	-43.05	336.38	3.64	-39.41
N#CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)(F)F	REAL300020233537	1	37	-1.0	-43.06	336.46	3.64	-39.42
N#CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300020233538	0	43	-1.0	-35.97	362.79	4.66	-31.31
N#CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300020233538	1	43	-1.0	-35.97	362.83	4.68	-31.29
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(OC(F)F)C=C1F	REAL300020233539	0	39	-1.0	-44.98	348.01	4.52	-40.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(OC(F)F)C=C1F	REAL300020233539	1	39	-1.0	-44.92	347.95	4.49	-40.43
O=C(NC1=CC=C(OC(F)F)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233540	0	39	-1.0	-43.40	328.28	3.98	-39.42
O=C(NC1=CC=C(OC(F)F)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233540	1	39	-1.0	-43.41	328.34	4.00	-39.41
O=C(NC1=CC=C(OC(F)F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020233541	0	36	-1.0	-53.07	312.86	3.05	-50.02
O=C(NC1=CC=C(OC(F)F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020233541	1	36	-1.0	-53.13	312.92	3.08	-50.05
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C=C1F)C1=N[N-]N=N1	REAL300020233542	0	39	-1.0	-46.79	356.38	3.02	-43.77
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C=C1F)C1=NN=N[N-]1	REAL300020233542	1	39	-1.0	-46.80	356.43	3.04	-43.76
O=C(NC1=CC=C(OC(F)F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020233543	0	36	-1.0	-43.14	315.03	3.10	-40.04
O=C(NC1=CC=C(OC(F)F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020233543	1	36	-1.0	-43.19	315.10	3.12	-40.07
O=C(NC1=CC=C(OC(F)F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020233544	0	42	-1.0	-45.65	340.68	4.15	-41.50
O=C(NC1=CC=C(OC(F)F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020233544	1	42	-1.0	-45.67	340.75	4.15	-41.52
CNC(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020233545	0	49	-1.0	-50.84	411.56	4.53	-46.31
CNC(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020233545	1	49	-1.0	-50.83	411.62	4.56	-46.27
CNC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020233546	0	49	-1.0	-49.98	390.92	4.01	-45.97
CNC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020233546	1	49	-1.0	-49.98	390.98	4.02	-45.96
CNC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020233547	0	46	-1.0	-59.55	376.16	3.10	-56.45
CNC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020233547	1	46	-1.0	-59.55	376.22	3.12	-56.43
CNC(=O)COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020233548	0	49	-1.0	-53.37	420.82	3.09	-50.28
CNC(=O)COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020233548	1	49	-1.0	-53.33	420.87	3.11	-50.22
CNC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020233549	0	46	-1.0	-50.31	377.68	3.14	-47.17
CNC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020233549	1	46	-1.0	-50.32	377.75	3.16	-47.16
CNC(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020233550	0	52	-1.0	-55.77	400.11	4.97	-50.80
CNC(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020233550	1	52	-1.0	-55.77	400.16	4.98	-50.79
O=C(NC1=CC=CC(OCCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233551	0	52	-1.0	-44.22	415.66	8.39	-35.83
O=C(NC1=CC=CC(OCCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233551	1	52	-1.0	-44.25	415.72	8.40	-35.85
O=C(NC1=CC=CC(OCCC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233552	0	49	-1.0	-61.46	401.26	7.44	-54.02
O=C(NC1=CC=CC(OCCC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233552	1	49	-1.0	-61.48	401.31	7.46	-54.02
O=C(NC1=CC=CC(OCCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233553	0	49	-1.0	-48.35	402.90	7.47	-40.88
O=C(NC1=CC=CC(OCCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233553	1	49	-1.0	-48.33	402.97	7.48	-40.85
O=C(NC(C1=CC=C(F)C(Cl)=C1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020233554	0	38	-1.0	-49.23	349.18	5.15	-44.08
O=C(NC(C1=CC=C(F)C(Cl)=C1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020233554	1	38	-1.0	-49.22	349.24	5.17	-44.05
O=C(NC(C1=CC=C(F)C(Cl)=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020233555	0	38	-1.0	-42.83	350.56	5.22	-37.61
O=C(NC(C1=CC=C(F)C(Cl)=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020233555	1	38	-1.0	-42.83	350.63	5.23	-37.60
CCC1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233556	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	REAL300020233556	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	REAL300020233557	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	REAL300020233557	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	REAL300020233558	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	REAL300020233558	1	41	-1.0	-46.38	356.51	2.49	-43.89
CCC1=NN(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233559	0	44	-1.0	-49.32	336.85	4.41	-44.91
CCC1=NN(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233559	1	44	-1.0	-49.35	336.90	4.41	-44.94
CN1C(=O)COC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020233560	0	44	-1.0	-54.23	370.54	3.73	-50.50
CN1C(=O)COC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020233560	1	44	-1.0	-54.22	370.49	3.70	-50.52
CN1C(=O)COC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020233561	0	44	-1.0	-45.43	351.40	3.23	-42.20
CN1C(=O)COC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020233561	1	44	-1.0	-45.44	351.45	3.25	-42.19
CN1C(=O)COC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020233562	0	41	-1.0	-61.20	336.61	2.39	-58.81
CN1C(=O)COC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020233562	1	41	-1.0	-61.19	336.67	2.41	-58.78
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)OCC(=O)N2C)C1=N[N-]N=N1	REAL300020233563	0	44	-1.0	-50.16	379.53	2.30	-47.86
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)OCC(=O)N2C)C1=NN=N[N-]1	REAL300020233563	1	44	-1.0	-50.17	379.59	2.31	-47.86
CN1C(=O)COC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020233564	0	41	-1.0	-49.78	337.99	2.45	-47.33
CN1C(=O)COC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020233564	1	41	-1.0	-49.81	338.07	2.46	-47.35
CN1C(=O)COC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020233565	0	47	-1.0	-42.27	363.75	3.43	-38.84
CN1C(=O)COC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020233565	1	47	-1.0	-42.25	363.79	3.44	-38.81
O=C(NC1=CC=C(C2CCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233566	0	45	-1.0	-54.31	369.04	7.35	-46.96
O=C(NC1=CC=C(C2CCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233566	1	45	-1.0	-54.30	368.99	7.33	-46.97
O=C(NC1=CC=C(C2CCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233567	0	45	-1.0	-42.80	349.65	6.89	-35.91
O=C(NC1=CC=C(C2CCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233567	1	45	-1.0	-42.81	349.70	6.91	-35.90
O=C(NC1=CC=C(C2CCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233568	0	42	-1.0	-55.69	334.28	5.98	-49.71
O=C(NC1=CC=C(C2CCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233568	1	42	-1.0	-55.70	334.34	5.99	-49.71
CSCC[C@H](NC(=O)NC1=CC=C(C2CCC2)C=C1)C1=N[N-]N=N1	REAL300020233569	0	45	-1.0	-46.30	378.04	5.91	-40.39
CSCC[C@H](NC(=O)NC1=CC=C(C2CCC2)C=C1)C1=NN=N[N-]1	REAL300020233569	1	45	-1.0	-46.26	378.09	5.93	-40.33
O=C(NC1=CC=C(C2CCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233570	0	42	-1.0	-44.12	335.87	6.01	-38.11
O=C(NC1=CC=C(C2CCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233570	1	42	-1.0	-44.11	335.95	6.03	-38.08
O=C(NC1=CC=C(C2CCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233571	0	48	-1.0	-51.34	355.36	7.83	-43.51
O=C(NC1=CC=C(C2CCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233571	1	48	-1.0	-51.36	355.40	7.84	-43.52
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233572	0	48	-1.0	-54.95	393.63	4.44	-50.51
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233572	1	48	-1.0	-54.93	393.57	4.42	-50.51
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233573	0	48	-1.0	-48.48	372.80	3.84	-44.64
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233573	1	48	-1.0	-48.51	372.85	3.86	-44.65
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233574	0	45	-1.0	-56.03	358.41	3.01	-53.02
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233574	1	45	-1.0	-55.97	358.47	3.03	-52.94
CSCC[C@H](NC(=O)NC1=CC(N2CCNC2=O)=CC=C1C)C1=N[N-]N=N1	REAL300020233575	0	48	-1.0	-51.07	401.96	2.98	-48.09
CSCC[C@H](NC(=O)NC1=CC(N2CCNC2=O)=CC=C1C)C1=NN=N[N-]1	REAL300020233575	1	48	-1.0	-51.10	402.02	3.00	-48.10
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233576	0	45	-1.0	-48.01	359.82	3.06	-44.95
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233576	1	45	-1.0	-47.97	359.89	3.08	-44.89
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233577	0	51	-1.0	-47.73	388.00	3.91	-43.82
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233577	1	51	-1.0	-47.83	388.05	3.91	-43.92
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1N1CCNC1=O	REAL300020233578	0	48	-1.0	-51.36	398.53	5.10	-46.26
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1N1CCNC1=O	REAL300020233578	1	48	-1.0	-51.37	398.47	5.08	-46.29
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1N1CCNC1=O	REAL300020233579	0	48	-1.0	-52.55	379.12	4.37	-48.18
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1N1CCNC1=O	REAL300020233579	1	48	-1.0	-52.58	379.18	4.38	-48.20
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1N1CCNC1=O	REAL300020233580	0	45	-1.0	-61.44	363.01	3.62	-57.82
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1N1CCNC1=O	REAL300020233580	1	45	-1.0	-61.46	363.07	3.65	-57.81
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCNC2=O)=C1C)C1=N[N-]N=N1	REAL300020233581	0	48	-1.0	-51.55	406.73	3.57	-47.98
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCNC2=O)=C1C)C1=NN=N[N-]1	REAL300020233581	1	48	-1.0	-51.55	406.78	3.59	-47.96
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1N1CCNC1=O	REAL300020233582	0	45	-1.0	-49.62	365.55	3.71	-45.91
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1N1CCNC1=O	REAL300020233582	1	45	-1.0	-49.61	365.63	3.72	-45.89
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1N1CCNC1=O	REAL300020233583	0	51	-1.0	-55.65	387.01	4.64	-51.01
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1N1CCNC1=O	REAL300020233583	1	51	-1.0	-55.64	387.05	4.66	-50.98
CN1N=C(C2=CC=CO2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233584	0	42	-1.0	-55.81	365.97	5.19	-50.62
CN1N=C(C2=CC=CO2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233584	1	42	-1.0	-55.79	365.91	5.17	-50.62
CN1N=C(C2=CC=CO2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233585	0	42	-1.0	-49.16	347.03	4.68	-44.48
CN1N=C(C2=CC=CO2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233585	1	42	-1.0	-49.13	346.97	4.67	-44.46
CN1N=C(C2=CC=CO2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233586	0	39	-1.0	-60.42	331.57	3.77	-56.65
CN1N=C(C2=CC=CO2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233586	1	39	-1.0	-60.43	331.52	3.75	-56.68
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CO2)=NN1C)C1=NN=N[N-]1	REAL300020233587	0	42	-1.0	-52.67	375.20	3.73	-48.94
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CO2)=NN1C)C1=N[N-]N=N1	REAL300020233587	1	42	-1.0	-52.66	375.14	3.71	-48.95
CN1N=C(C2=CC=CO2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233588	0	39	-1.0	-49.62	333.07	3.82	-45.80
CN1N=C(C2=CC=CO2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233588	1	39	-1.0	-49.65	332.99	3.81	-45.84
CN1N=C(C2=CC=CO2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233589	0	45	-1.0	-57.35	355.03	5.55	-51.80
CN1N=C(C2=CC=CO2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233589	1	45	-1.0	-57.33	354.98	5.54	-51.79
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233590	0	48	-1.0	-54.02	397.21	6.71	-47.31
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233590	1	48	-1.0	-53.99	397.15	6.68	-47.31
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233591	0	48	-1.0	-48.22	376.30	6.11	-42.11
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233591	1	48	-1.0	-48.20	376.24	6.10	-42.10
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233592	0	45	-1.0	-62.06	360.90	5.22	-56.84
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233592	1	45	-1.0	-62.01	360.84	5.22	-56.79
CSCC[C@H](NC(=O)NC1=CC(C2=CC=NN2C)=CC=C1C)C1=NN=N[N-]1	REAL300020233593	0	48	-1.0	-54.12	406.06	5.24	-48.88
CSCC[C@H](NC(=O)NC1=CC(C2=CC=NN2C)=CC=C1C)C1=N[N-]N=N1	REAL300020233593	1	48	-1.0	-54.12	406.00	5.22	-48.90
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233594	0	45	-1.0	-48.86	362.47	5.27	-43.59
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233594	1	45	-1.0	-48.87	362.40	5.27	-43.60
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233595	0	51	-1.0	-54.10	385.11	6.99	-47.11
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233595	1	51	-1.0	-54.06	385.06	6.99	-47.07
CN1N=C(C2=CC=C(Cl)S2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233596	0	42	-1.0	-45.82	373.18	6.26	-39.56
CN1N=C(C2=CC=C(Cl)S2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233596	1	42	-1.0	-45.79	373.13	6.24	-39.55
CN1N=C(C2=CC=C(Cl)S2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233597	0	39	-1.0	-55.95	357.73	5.37	-50.58
CN1N=C(C2=CC=C(Cl)S2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233597	1	39	-1.0	-55.95	357.67	5.36	-50.59
CN1N=C(C2=CC=C(Cl)S2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233598	0	39	-1.0	-45.82	359.22	5.42	-40.40
CN1N=C(C2=CC=C(Cl)S2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233598	1	39	-1.0	-45.84	359.14	5.42	-40.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2OCCC(=O)C2=C1	REAL300020233599	0	42	-1.0	-67.18	359.37	4.51	-62.67
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2OCCC(=O)C2=C1	REAL300020233599	1	42	-1.0	-67.18	359.31	4.48	-62.70
O=C(NC1=CC=C2OCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233600	0	42	-1.0	-54.09	340.27	4.03	-50.06
O=C(NC1=CC=C2OCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233600	1	42	-1.0	-54.09	340.33	4.05	-50.04
O=C(NC1=CC=C2OCCC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233601	0	39	-1.0	-69.24	324.56	3.14	-66.10
O=C(NC1=CC=C2OCCC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233601	1	39	-1.0	-69.24	324.62	3.16	-66.08
CSCC[C@H](NC(=O)NC1=CC=C2OCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300020233602	0	42	-1.0	-54.91	368.05	3.10	-51.81
CSCC[C@H](NC(=O)NC1=CC=C2OCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300020233602	1	42	-1.0	-54.90	368.11	3.11	-51.79
O=C(NC1=CC=C2OCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233603	0	39	-1.0	-54.05	326.20	3.17	-50.88
O=C(NC1=CC=C2OCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233603	1	39	-1.0	-54.05	326.27	3.18	-50.87
O=C(NC1=CC=C2OCCC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233604	0	45	-1.0	-46.47	352.64	4.21	-42.26
O=C(NC1=CC=C2OCCC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233604	1	45	-1.0	-46.52	352.67	4.22	-42.30
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1N1CCNC1=O	REAL300020233605	0	48	-1.0	-61.66	401.48	4.86	-56.80
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1N1CCNC1=O	REAL300020233605	1	48	-1.0	-61.68	401.42	4.83	-56.85
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1N1CCNC1=O	REAL300020233606	0	48	-1.0	-51.17	382.94	4.18	-46.99
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1N1CCNC1=O	REAL300020233606	1	48	-1.0	-51.16	382.99	4.20	-46.96
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1N1CCNC1=O	REAL300020233607	0	45	-1.0	-60.80	366.81	3.46	-57.34
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1N1CCNC1=O	REAL300020233607	1	45	-1.0	-60.84	366.87	3.47	-57.37
CSCC[C@H](NC(=O)NC1=CC=C(C)C(N2CCNC2=O)=C1)C1=N[N-]N=N1	REAL300020233608	0	48	-1.0	-54.64	410.91	3.27	-51.37
CSCC[C@H](NC(=O)NC1=CC=C(C)C(N2CCNC2=O)=C1)C1=NN=N[N-]1	REAL300020233608	1	48	-1.0	-54.62	410.96	3.28	-51.34
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1CCNC1=O	REAL300020233609	0	45	-1.0	-53.38	368.49	3.48	-49.90
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1CCNC1=O	REAL300020233609	1	45	-1.0	-53.35	368.56	3.49	-49.86
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1N1CCNC1=O	REAL300020233610	0	51	-1.0	-49.00	397.42	4.38	-44.62
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1N1CCNC1=O	REAL300020233610	1	51	-1.0	-49.03	397.47	4.40	-44.63
O=C(NC1=CC2=C(C=C1Br)CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233611	0	42	-1.0	-42.38	347.22	6.98	-35.40
O=C(NC1=CC2=C(C=C1Br)CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233611	1	42	-1.0	-42.40	347.28	6.99	-35.41
O=C(NC1=CC2=C(C=C1Br)CCC2)N1CCCC1C1=N[N-]N=N1	REAL300020233612	0	39	-1.0	-52.03	332.25	6.04	-45.99
O=C(NC1=CC2=C(C=C1Br)CCC2)N1CCCC1C1=NN=N[N-]1	REAL300020233612	1	39	-1.0	-52.04	332.31	6.06	-45.98
O=C(NC1=CC2=C(C=C1Br)CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020233613	0	39	-1.0	-42.30	334.50	6.12	-36.18
O=C(NC1=CC2=C(C=C1Br)CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020233613	1	39	-1.0	-42.28	334.57	6.14	-36.14
O=C(NC1=NOC(C2=CC=CC(Cl)=C2)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233614	0	41	-1.0	-41.42	374.14	7.44	-33.98
O=C(NC1=NOC(C2=CC=CC(Cl)=C2)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233614	1	41	-1.0	-41.39	374.08	7.42	-33.97
O=C(NC1=NOC(C2=CC=CC(Cl)=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233615	0	41	-1.0	-43.25	354.94	6.95	-36.30
O=C(NC1=NOC(C2=CC=CC(Cl)=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233615	1	41	-1.0	-43.24	354.89	6.93	-36.31
O=C(NC1=NOC(C2=CC=CC(Cl)=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233616	0	38	-1.0	-52.04	339.49	6.04	-46.00
O=C(NC1=NOC(C2=CC=CC(Cl)=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233616	1	38	-1.0	-52.04	339.43	6.03	-46.01
CSCC[C@H](NC(=O)NC1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=NN=N[N-]1	REAL300020233617	0	41	-1.0	-45.53	383.12	6.02	-39.51
CSCC[C@H](NC(=O)NC1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=N[N-]N=N1	REAL300020233617	1	41	-1.0	-45.53	383.06	6.00	-39.53
O=C(NC1=NOC(C2=CC=CC(Cl)=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233618	0	38	-1.0	-42.31	340.99	6.10	-36.21
O=C(NC1=NOC(C2=CC=CC(Cl)=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233618	1	38	-1.0	-42.30	340.91	6.09	-36.21
O=C(NC1=NOC(C2=CC=CC(Cl)=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233619	0	44	-1.0	-48.72	363.05	7.84	-40.88
O=C(NC1=NOC(C2=CC=CC(Cl)=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233619	1	44	-1.0	-48.72	363.01	7.83	-40.89
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(=O)N(C)C(C)C	REAL300020233620	0	54	-1.0	-46.54	414.52	6.28	-40.26
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(=O)N(C)C(C)C	REAL300020233620	1	54	-1.0	-46.51	414.58	6.30	-40.21
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(=O)N(C)C(C)C	REAL300020233621	0	51	-1.0	-52.12	398.67	5.39	-46.73
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(=O)N(C)C(C)C	REAL300020233621	1	51	-1.0	-52.14	398.73	5.41	-46.73
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(=O)N(C)C(C)C	REAL300020233622	0	51	-1.0	-50.10	400.48	5.41	-44.69
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(=O)N(C)C(C)C	REAL300020233622	1	51	-1.0	-50.08	400.55	5.41	-44.67
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(=O)N(C)C(C)C	REAL300020233623	0	57	-1.0	-39.55	425.20	6.44	-33.11
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(=O)N(C)C(C)C	REAL300020233623	1	57	-1.0	-39.60	425.21	6.45	-33.15
O=C([N-]C1=NC(C(F)(F)F)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233624	0	32	-2.0	-76.73	320.72	2.31	-74.42
O=C([N-]C1=NC(C(F)(F)F)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233624	1	32	-2.0	-76.74	320.66	2.29	-74.45
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233625	0	32	-2.0	-79.13	303.73	2.23	-76.90
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233625	1	32	-2.0	-79.17	303.68	2.21	-76.96
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020233626	0	29	-2.0	-96.61	287.88	1.05	-95.56
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020233626	1	29	-2.0	-96.61	287.94	1.08	-95.53
CSCC[C@H](NC(=O)[N-]C1=NC(C(F)(F)F)=NS1)C1=N[N-]N=N1	REAL300020233627	0	32	-2.0	-87.94	329.65	0.88	-87.06
CSCC[C@H](NC(=O)[N-]C1=NC(C(F)(F)F)=NS1)C1=NN=N[N-]1	REAL300020233627	1	32	-2.0	-87.93	329.71	0.90	-87.03
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233628	0	29	-2.0	-78.35	288.70	1.15	-77.20
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233628	1	29	-2.0	-78.38	288.63	1.14	-77.24
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233629	0	35	-2.0	-96.60	312.26	3.05	-93.55
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233629	1	35	-2.0	-96.62	312.20	3.04	-93.58
CN1NC=C2C1=NC=CC2=NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233630	0	40	-1.0	-73.88	350.27	2.56	-71.32
CN1NC=C2C1=NC=CC2=NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233630	1	40	-1.0	-73.85	350.21	2.54	-71.31
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233630	1	39	-2.0	-86.74	346.19	2.54	-84.20
CN1NC=C2C1=NC=CC2=NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233631	0	40	-1.0	-61.58	330.31	2.04	-59.54
CN1NC=C2C1=NC=CC2=NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233631	1	40	-1.0	-61.58	330.37	2.05	-59.53
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233631	1	39	-2.0	-85.18	326.88	1.88	-83.30
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233631	1	39	-2.0	-85.17	326.93	1.90	-83.27
CN1NC=C2C1=NC=CC2=NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233632	0	37	-1.0	-78.64	315.41	1.18	-77.46
CN1NC=C2C1=NC=CC2=NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233632	1	37	-1.0	-78.59	315.47	1.20	-77.39
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233632	1	36	-2.0	-103.78	312.01	1.01	-102.77
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233632	1	36	-2.0	-103.74	312.07	1.04	-102.70
CSCC[C@H](NC(=O)N=C1C=CNC2=C1C=NN2C)C1=N[N-]N=N1	REAL300020233633	0	40	-1.0	-69.86	359.44	1.30	-68.56
CSCC[C@H](NC(=O)N=C1C=CNC2=C1C=NN2C)C1=NN=N[N-]1	REAL300020233633	1	40	-1.0	-69.86	359.49	1.32	-68.54
CN1NC=C2C1=NC=CC2=NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233634	0	37	-1.0	-64.46	314.48	1.17	-63.29
CN1NC=C2C1=NC=CC2=NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233634	1	37	-1.0	-64.45	314.55	1.19	-63.26
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233634	1	36	-2.0	-85.09	312.72	0.94	-84.15
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233634	1	36	-2.0	-85.07	312.79	0.95	-84.12
CN1NC=C2C1=NC=CC2=NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233635	0	43	-1.0	-67.14	341.40	2.82	-64.32
CN1NC=C2C1=NC=CC2=NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233635	1	43	-1.0	-67.09	341.46	2.83	-64.26
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233635	1	42	-2.0	-89.41	337.97	2.66	-86.75
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233635	1	42	-2.0	-89.41	338.04	2.67	-86.74
O=C(NC1=CC=C(N2CCC2=O)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233636	0	43	-1.0	-52.91	368.08	5.20	-47.71
O=C(NC1=CC=C(N2CCC2=O)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233636	1	43	-1.0	-52.91	368.02	5.17	-47.74
O=C(NC1=CC=C(N2CCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233637	0	43	-1.0	-55.66	349.03	4.72	-50.94
O=C(NC1=CC=C(N2CCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233637	1	43	-1.0	-55.65	349.09	4.74	-50.91
O=C(NC1=CC=C(N2CCC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233638	0	40	-1.0	-58.02	333.95	3.83	-54.19
O=C(NC1=CC=C(N2CCC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233638	1	40	-1.0	-58.03	334.01	3.84	-54.19
CSCC[C@H](NC(=O)NC1=CC=C(N2CCC2=O)C=C1)C1=N[N-]N=N1	REAL300020233639	0	43	-1.0	-62.79	377.06	3.77	-59.02
CSCC[C@H](NC(=O)NC1=CC=C(N2CCC2=O)C=C1)C1=NN=N[N-]1	REAL300020233639	1	43	-1.0	-62.84	377.12	3.78	-59.06
O=C(NC1=CC=C(N2CCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233640	0	40	-1.0	-48.88	335.32	3.88	-45.00
O=C(NC1=CC=C(N2CCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233640	1	40	-1.0	-48.92	335.39	3.89	-45.03
O=C(NC1=CC=C(N2CCC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233641	0	46	-1.0	-54.41	356.82	5.63	-48.78
O=C(NC1=CC=C(N2CCC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233641	1	46	-1.0	-54.44	356.87	5.64	-48.80
O=C(NC1=CC=C2C=CNC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233642	0	39	-1.0	-47.78	334.21	4.87	-42.91
O=C(NC1=CC=C2C=CNC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233642	1	39	-1.0	-47.79	334.15	4.85	-42.94
O=C(NC1=CC=C2C=CNC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233643	0	39	-1.0	-46.79	315.44	4.31	-42.48
O=C(NC1=CC=C2C=CNC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233643	1	39	-1.0	-46.81	315.50	4.33	-42.48
CSCC[C@H](NC(=O)NC1=CC=C2C=CNC2=C1)C1=N[N-]N=N1	REAL300020233644	0	39	-1.0	-49.43	343.68	3.37	-46.06
CSCC[C@H](NC(=O)NC1=CC=C2C=CNC2=C1)C1=NN=N[N-]1	REAL300020233644	1	39	-1.0	-49.45	343.74	3.38	-46.07
O=C(NC1=CC=C2C=CNC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233645	0	42	-1.0	-44.85	329.83	4.52	-40.33
O=C(NC1=CC=C2C=CNC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233645	1	42	-1.0	-44.85	329.88	4.52	-40.33
CC1=NN(C2=CC(C)=CC=N2)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020233646	0	47	-1.0	-44.92	398.61	7.88	-37.04
CC1=NN(C2=CC(C)=CC=N2)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020233646	1	47	-1.0	-44.91	398.55	7.86	-37.05
CC1=NN(C2=CC(C)=CC=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020233647	0	47	-1.0	-46.61	379.33	7.38	-39.23
CC1=NN(C2=CC(C)=CC=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020233647	1	47	-1.0	-46.64	379.38	7.40	-39.24
CC1=NN(C2=CC(C)=CC=N2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020233648	0	44	-1.0	-57.35	363.89	6.48	-50.87
CC1=NN(C2=CC(C)=CC=N2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020233648	1	44	-1.0	-57.33	363.95	6.49	-50.84
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C1=CC(C)=CC=N1)C1=N[N-]N=N1	REAL300020233649	0	47	-1.0	-50.18	407.51	6.44	-43.74
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C1=CC(C)=CC=N1)C1=NN=N[N-]1	REAL300020233649	1	47	-1.0	-50.15	407.57	6.46	-43.69
CC1=NN(C2=CC(C)=CC=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020233650	0	44	-1.0	-46.17	365.37	6.52	-39.65
CC1=NN(C2=CC(C)=CC=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020233650	1	44	-1.0	-46.14	365.45	6.53	-39.61
CC1=NN(C2=CC(C)=CC=N2)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020233651	0	50	-1.0	-54.47	387.40	8.28	-46.19
CC1=NN(C2=CC(C)=CC=N2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020233651	1	50	-1.0	-54.46	387.44	8.29	-46.17
O=C(NC1=CC=C(OC2=CC=CC(F)=C2F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233652	0	42	-1.0	-58.84	368.23	3.84	-55.00
O=C(NC1=CC=C(OC2=CC=CC(F)=C2F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233652	1	42	-1.0	-58.80	368.17	3.82	-54.98
O=C(NC1=CC=C(OC2=CC=CC(F)=C2F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233653	0	42	-1.0	-47.48	369.25	3.87	-43.61
O=C(NC1=CC=C(OC2=CC=CC(F)=C2F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233653	1	42	-1.0	-47.45	369.18	3.86	-43.59
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020233654	0	39	-1.0	-50.46	350.11	3.81	-46.65
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020233654	1	39	-1.0	-50.52	350.05	3.78	-46.74
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020233655	0	39	-1.0	-43.09	327.95	2.91	-40.18
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=N1	REAL300020233655	1	39	-1.0	-43.06	327.89	2.89	-40.17
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300020233656	0	36	-1.0	-63.89	315.58	2.42	-61.47
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300020233656	1	36	-1.0	-63.89	315.52	2.41	-61.48
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1	REAL300020233657	0	39	-1.0	-56.20	359.11	2.38	-53.82
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1	REAL300020233657	1	39	-1.0	-56.20	359.06	2.37	-53.83
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020233658	0	36	-1.0	-53.55	316.95	2.48	-51.07
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020233658	1	36	-1.0	-53.54	316.87	2.47	-51.07
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020233659	0	42	-1.0	-47.09	343.74	3.33	-43.76
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020233659	1	42	-1.0	-47.08	343.69	3.32	-43.76
CC(C)N1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233660	0	41	-1.0	-43.82	345.33	4.92	-38.90
CC(C)N1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233660	1	41	-1.0	-43.83	345.27	4.90	-38.93
CC(C)N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020233661	0	41	-1.0	-45.69	326.14	4.44	-41.25
CC(C)N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020233661	1	41	-1.0	-45.67	326.08	4.42	-41.25
CSCC[C@H](NC(=O)NC1=NN(C(C)C)C=C1)C1=NN=N[N-]1	REAL300020233662	0	41	-1.0	-48.23	354.32	3.50	-44.73
CSCC[C@H](NC(=O)NC1=NN(C(C)C)C=C1)C1=N[N-]N=N1	REAL300020233662	1	41	-1.0	-48.22	354.26	3.48	-44.74
CC(C)N1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020233663	0	44	-1.0	-50.32	334.11	5.32	-45.00
CC(C)N1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020233663	1	44	-1.0	-50.35	334.07	5.32	-45.03
CC1=CC=CC(C2=CC(Cl)=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020233664	0	48	-1.0	-40.93	398.96	9.55	-31.38
CC1=CC=CC(C2=CC(Cl)=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020233664	1	48	-1.0	-40.88	399.02	9.56	-31.32
CC1=CC=CC(C2=CC(Cl)=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020233665	0	45	-1.0	-51.54	383.60	8.64	-42.90
CC1=CC=CC(C2=CC(Cl)=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020233665	1	45	-1.0	-51.52	383.66	8.66	-42.86
CC1=CC=CC(C2=CC(Cl)=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020233666	0	45	-1.0	-40.98	384.99	8.69	-32.29
CC1=CC=CC(C2=CC(Cl)=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020233666	1	45	-1.0	-40.97	385.06	8.71	-32.26
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233667	0	48	-1.0	-46.75	408.08	6.76	-39.99
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233667	1	48	-1.0	-46.78	408.02	6.74	-40.04
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233668	0	48	-1.0	-48.88	388.89	6.29	-42.59
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233668	1	48	-1.0	-48.79	388.83	6.28	-42.51
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233669	0	45	-1.0	-60.11	373.44	5.38	-54.73
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233669	1	45	-1.0	-60.12	373.38	5.37	-54.75
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CO2)=NN1C(C)C)C1=NN=N[N-]1	REAL300020233670	0	48	-1.0	-52.31	417.06	5.34	-46.97
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CO2)=NN1C(C)C)C1=N[N-]N=N1	REAL300020233670	1	48	-1.0	-52.29	417.01	5.32	-46.97
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233671	0	45	-1.0	-49.07	374.94	5.44	-43.63
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233671	1	45	-1.0	-49.04	374.86	5.43	-43.61
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233672	0	51	-1.0	-57.26	396.90	7.18	-50.08
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233672	1	51	-1.0	-57.23	396.86	7.16	-50.07
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233673	0	44	-1.0	-60.78	387.88	7.90	-52.88
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233673	1	44	-1.0	-60.83	387.82	7.88	-52.95
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233674	0	44	-1.0	-52.96	368.08	7.36	-45.60
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233674	1	44	-1.0	-52.91	368.03	7.35	-45.56
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233675	0	41	-1.0	-68.20	353.06	6.50	-61.70
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233675	1	41	-1.0	-68.20	353.00	6.48	-61.72
CSCC[C@H](NC(=O)NC1=NOC(C2=CC=CC=C2F)=C1C)C1=NN=N[N-]1	REAL300020233676	0	44	-1.0	-58.12	396.70	6.47	-51.65
CSCC[C@H](NC(=O)NC1=NOC(C2=CC=CC=C2F)=C1C)C1=N[N-]N=N1	REAL300020233676	1	44	-1.0	-58.09	396.64	6.46	-51.63
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233677	0	41	-1.0	-54.80	354.49	6.53	-48.27
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233677	1	41	-1.0	-54.77	354.42	6.52	-48.25
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233678	0	47	-1.0	-65.52	377.11	8.40	-57.12
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233678	1	47	-1.0	-65.52	377.06	8.38	-57.14
C[NH+]1CCC(N2C=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)CC1	REAL300020233679	0	51	0.0	-74.90	405.59	6.60	-68.30
C[NH+]1CCC(N2C=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)CC1	REAL300020233679	1	51	0.0	-74.90	405.54	6.58	-68.32
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)CC1	REAL300020233680	0	51	0.0	-75.95	386.43	6.12	-69.83
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)CC1	REAL300020233680	1	51	0.0	-76.03	386.37	6.11	-69.92
C[NH+]1CCC(N2C=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=N2)CC1	REAL300020233681	0	48	0.0	-82.15	370.95	5.21	-76.94
C[NH+]1CCC(N2C=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=N2)CC1	REAL300020233681	1	48	0.0	-82.15	370.89	5.19	-76.96
CSCC[C@H](NC(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1)C1=NN=N[N-]1	REAL300020233682	0	51	0.0	-77.05	414.57	5.17	-71.88
CSCC[C@H](NC(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1)C1=N[N-]N=N1	REAL300020233682	1	51	0.0	-76.99	414.52	5.16	-71.83
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)CC1	REAL300020233683	0	48	0.0	-75.71	372.44	5.25	-70.46
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)CC1	REAL300020233683	1	48	0.0	-75.73	372.37	5.24	-70.49
C[NH+]1CCC(N2C=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)CC1	REAL300020233684	0	54	0.0	-74.13	394.39	7.00	-67.13
C[NH+]1CCC(N2C=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)CC1	REAL300020233684	1	54	0.0	-74.13	394.34	7.00	-67.13
CCC(C)C(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020233685	0	43	-1.0	-40.85	355.52	5.19	-35.66
CCC(C)C(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020233685	1	43	-1.0	-40.85	355.58	5.22	-35.63
CCC(C)C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020233686	0	43	-1.0	-41.76	339.37	4.55	-37.21
CCC(C)C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020233686	1	43	-1.0	-41.77	339.43	4.57	-37.20
CCC(C)C(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020233687	0	40	-1.0	-50.86	322.99	3.71	-47.15
CCC(C)C(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020233687	1	40	-1.0	-50.87	323.05	3.74	-47.13
CCC(C)C(NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(F)(F)F	REAL300020233688	0	43	-1.0	-44.14	364.74	3.75	-40.39
CCC(C)C(NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(F)(F)F	REAL300020233688	1	43	-1.0	-44.17	364.79	3.76	-40.41
CCC(C)C(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020233689	0	40	-1.0	-42.30	322.80	3.84	-38.46
CCC(C)C(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020233689	1	40	-1.0	-42.30	322.87	3.84	-38.46
CCC(C)C(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020233690	0	46	-1.0	-47.81	347.70	5.57	-42.24
CCC(C)C(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020233690	1	46	-1.0	-47.83	347.75	5.58	-42.25
CC1=CC(OC2CCN(C)C2=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233691	0	53	-1.0	-53.78	415.46	5.36	-48.42
CC1=CC(OC2CCN(C)C2=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233691	1	53	-1.0	-53.80	415.52	5.38	-48.42
CC1=CC(OC2CCN(C)C2=O)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233692	0	50	-1.0	-67.76	400.40	4.48	-63.28
CC1=CC(OC2CCN(C)C2=O)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233692	1	50	-1.0	-67.79	400.46	4.50	-63.29
CC1=CC(OC2CCN(C)C2=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233693	0	50	-1.0	-53.44	401.92	4.53	-48.91
CC1=CC(OC2CCN(C)C2=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233693	1	50	-1.0	-53.44	401.99	4.55	-48.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=C(Cl)C=C1F	REAL300020233694	0	35	-1.0	-49.49	339.63	5.83	-43.66
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=C(Cl)C=C1F	REAL300020233694	1	35	-1.0	-49.47	339.68	5.86	-43.61
O=C(NC1=CC(Cl)=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233695	0	35	-1.0	-40.00	320.47	5.40	-34.60
O=C(NC1=CC(Cl)=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233695	1	35	-1.0	-40.02	320.52	5.41	-34.61
O=C(NC1=CC(Cl)=C(Cl)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020233696	0	32	-1.0	-49.16	306.30	4.47	-44.69
O=C(NC1=CC(Cl)=C(Cl)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020233696	1	32	-1.0	-49.18	306.36	4.50	-44.68
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300020233697	0	35	-1.0	-42.89	349.02	4.42	-38.47
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300020233697	1	35	-1.0	-42.88	349.07	4.43	-38.45
O=C(NC1=CC(Cl)=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020233698	0	32	-1.0	-39.96	306.84	4.52	-35.44
O=C(NC1=CC(Cl)=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020233698	1	32	-1.0	-39.95	306.91	4.53	-35.42
O=C(NC1=CC(Cl)=C(Cl)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020233699	0	38	-1.0	-44.61	329.48	6.25	-38.36
O=C(NC1=CC(Cl)=C(Cl)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020233699	1	38	-1.0	-44.64	329.53	6.25	-38.39
CC1=CC=C(N2CCOCC2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233700	0	51	-1.0	-43.75	404.61	4.51	-39.24
CC1=CC=C(N2CCOCC2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233700	1	51	-1.0	-43.78	404.56	4.48	-39.30
CC1=CC=C(N2CCOCC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233701	0	51	-1.0	-44.88	384.40	3.95	-40.93
CC1=CC=C(N2CCOCC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233701	1	51	-1.0	-44.90	384.45	3.96	-40.94
CC1=CC=C(N2CCOCC2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233702	0	48	-1.0	-58.69	371.22	3.12	-55.57
CC1=CC=C(N2CCOCC2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233702	1	48	-1.0	-58.72	371.28	3.14	-55.58
CSCC[C@H](NC(=O)NC1=CC(N2CCOCC2)=CC=C1C)C1=N[N-]N=N1	REAL300020233703	0	51	-1.0	-50.57	413.81	3.02	-47.55
CSCC[C@H](NC(=O)NC1=CC(N2CCOCC2)=CC=C1C)C1=NN=N[N-]1	REAL300020233703	1	51	-1.0	-50.60	413.86	3.04	-47.56
CC1=CC=C(N2CCOCC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233704	0	48	-1.0	-46.16	371.60	3.13	-43.03
CC1=CC=C(N2CCOCC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233704	1	48	-1.0	-46.17	371.67	3.13	-43.04
CC1=CC=C(N2CCOCC2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233705	0	54	-1.0	-51.26	393.92	4.85	-46.41
CC1=CC=C(N2CCOCC2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233705	1	54	-1.0	-51.33	393.97	4.85	-46.48
COC1=CC=CC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233706	0	42	-1.0	-46.74	350.64	6.23	-40.51
COC1=CC=CC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233706	1	42	-1.0	-46.70	350.58	6.21	-40.49
COC1=CC=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233707	0	42	-1.0	-46.67	331.77	5.79	-40.88
COC1=CC=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233707	1	42	-1.0	-46.62	331.83	5.80	-40.82
COC1=CC=CC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233708	0	39	-1.0	-56.52	321.73	3.70	-52.82
COC1=CC=CC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233708	1	39	-1.0	-56.53	321.79	3.71	-52.82
COC1=CC=CC(C)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020233709	0	42	-1.0	-49.84	365.26	3.65	-46.19
COC1=CC=CC(C)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020233709	1	42	-1.0	-49.83	365.32	3.66	-46.17
COC1=CC=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233710	0	39	-1.0	-46.82	322.97	3.72	-43.10
COC1=CC=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233710	1	39	-1.0	-46.86	323.04	3.72	-43.14
COC1=CC=CC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233711	0	45	-1.0	-51.26	336.41	6.10	-45.16
COC1=CC=CC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233711	1	45	-1.0	-51.22	336.46	6.10	-45.12
O=C(NC1=CC(F)=C(Br)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020233712	0	32	-1.0	-50.04	310.45	4.67	-45.37
O=C(NC1=CC(F)=C(Br)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020233712	1	32	-1.0	-50.03	310.51	4.70	-45.33
O=C(NC1=CC(F)=C(Br)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020233713	0	32	-1.0	-40.27	310.93	4.70	-35.57
O=C(NC1=CC(F)=C(Br)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020233713	1	32	-1.0	-40.28	311.01	4.70	-35.58
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=CC(F)=C1	REAL300020233714	0	34	-1.0	-41.95	304.60	3.06	-38.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=CC(F)=C1	REAL300020233714	1	34	-1.0	-41.97	304.54	3.04	-38.93
CSCC[C@H](NC(=O)NC1=CN=CC(F)=C1)C1=NN=N[N-]1	REAL300020233715	0	34	-1.0	-46.93	313.41	1.67	-45.26
CSCC[C@H](NC(=O)NC1=CN=CC(F)=C1)C1=N[N-]N=N1	REAL300020233715	1	34	-1.0	-46.92	313.36	1.66	-45.26
O=C(NC1=CN=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233716	0	37	-1.0	-38.37	298.16	2.76	-35.61
O=C(NC1=CN=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233716	1	37	-1.0	-38.37	298.08	2.76	-35.61
CC1=NN2C=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC2=N1	REAL300020233717	0	40	-1.0	-45.46	350.24	5.09	-40.37
CC1=NN2C=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC2=N1	REAL300020233717	1	40	-1.0	-45.43	350.18	5.06	-40.37
CC1=NN2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC2=N1	REAL300020233718	0	40	-1.0	-45.80	330.75	4.61	-41.19
CC1=NN2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC2=N1	REAL300020233718	1	40	-1.0	-45.81	330.80	4.63	-41.18
CC1=NN2C=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC2=N1	REAL300020233719	0	37	-1.0	-53.13	315.24	3.72	-49.41
CC1=NN2C=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC2=N1	REAL300020233719	1	37	-1.0	-53.13	315.30	3.74	-49.39
CSCC[C@H](NC(=O)NC1=CN2N=C(C)N=C2C=C1)C1=N[N-]N=N1	REAL300020233720	0	40	-1.0	-47.37	358.80	3.67	-43.70
CSCC[C@H](NC(=O)NC1=CN2N=C(C)N=C2C=C1)C1=NN=N[N-]1	REAL300020233720	1	40	-1.0	-47.40	358.86	3.69	-43.71
CC1=NN2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC2=N1	REAL300020233721	0	37	-1.0	-46.33	317.10	3.76	-42.57
CC1=NN2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC2=N1	REAL300020233721	1	37	-1.0	-46.36	317.17	3.77	-42.59
CC1=NN2C=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC2=N1	REAL300020233722	0	43	-1.0	-47.76	333.77	5.39	-42.37
CC1=NN2C=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC2=N1	REAL300020233722	1	43	-1.0	-47.76	333.82	5.39	-42.37
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020233723	0	39	-1.0	-53.28	348.69	4.65	-48.63
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020233723	1	39	-1.0	-53.30	348.63	4.63	-48.67
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020233724	0	39	-1.0	-43.55	329.70	4.12	-39.43
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020233724	1	39	-1.0	-43.57	329.76	4.13	-39.44
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020233725	0	36	-1.0	-51.63	314.33	3.22	-48.41
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020233725	1	36	-1.0	-51.64	314.39	3.24	-48.40
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Cl	REAL300020233726	0	39	-1.0	-46.49	357.53	3.21	-43.28
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Cl	REAL300020233726	1	39	-1.0	-46.50	357.59	3.23	-43.27
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020233727	0	36	-1.0	-43.45	315.69	3.28	-40.17
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020233727	1	36	-1.0	-43.45	315.77	3.28	-40.17
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020233728	0	42	-1.0	-39.06	342.03	4.31	-34.75
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020233728	1	42	-1.0	-39.03	342.07	4.32	-34.71
CN1C=C(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=N2)C=N1	REAL300020233729	0	43	-1.0	-53.28	376.66	4.56	-48.72
CN1C=C(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=N2)C=N1	REAL300020233729	1	43	-1.0	-53.28	376.60	4.53	-48.75
CN1C=C(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)N=N2)C=N1	REAL300020233730	0	43	-1.0	-46.41	354.40	3.65	-42.76
CN1C=C(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)N=N2)C=N1	REAL300020233730	1	43	-1.0	-46.37	354.46	3.67	-42.70
CN1C=C(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)N=N2)C=N1	REAL300020233731	0	40	-1.0	-68.02	342.06	3.16	-64.86
CN1C=C(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)N=N2)C=N1	REAL300020233731	1	40	-1.0	-68.03	342.12	3.18	-64.85
CSCC[C@H](NC(=O)NC1=CC=C(C2=CN(C)N=C2)N=N1)C1=N[N-]N=N1	REAL300020233732	0	43	-1.0	-59.79	385.60	3.12	-56.67
CSCC[C@H](NC(=O)NC1=CC=C(C2=CN(C)N=C2)N=N1)C1=NN=N[N-]1	REAL300020233732	1	43	-1.0	-59.83	385.66	3.13	-56.70
CN1C=C(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)N=N2)C=N1	REAL300020233733	0	40	-1.0	-56.59	343.44	3.23	-53.36
CN1C=C(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)N=N2)C=N1	REAL300020233733	1	40	-1.0	-56.60	343.51	3.24	-53.36
CN1C=C(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)N=N2)C=N1	REAL300020233734	0	46	-1.0	-51.76	370.22	4.08	-47.68
CN1C=C(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)N=N2)C=N1	REAL300020233734	1	46	-1.0	-51.74	370.27	4.09	-47.65
CCS(=O)(=O)CCN1C=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020233735	0	50	-1.0	-55.67	416.16	3.24	-52.43
CCS(=O)(=O)CCN1C=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020233735	1	50	-1.0	-55.63	416.10	3.22	-52.41
CCS(=O)(=O)CCN1C=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020233736	0	47	-1.0	-66.27	400.68	2.33	-63.94
CCS(=O)(=O)CCN1C=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020233736	1	47	-1.0	-66.30	400.62	2.31	-63.99
CCS(=O)(=O)CCN1C=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020233737	0	47	-1.0	-56.70	402.18	2.38	-54.32
CCS(=O)(=O)CCN1C=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020233737	1	47	-1.0	-56.69	402.11	2.37	-54.32
O=C(NC1=NN(C2CCCCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233738	0	48	-1.0	-42.96	386.96	6.78	-36.18
O=C(NC1=NN(C2CCCCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233738	1	48	-1.0	-42.95	386.90	6.75	-36.20
O=C(NC1=NN(C2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233739	0	48	-1.0	-44.99	367.79	6.30	-38.69
O=C(NC1=NN(C2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233739	1	48	-1.0	-44.91	367.74	6.29	-38.62
O=C(NC1=NN(C2CCCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233740	0	45	-1.0	-53.73	352.31	5.39	-48.34
O=C(NC1=NN(C2CCCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233740	1	45	-1.0	-53.76	352.26	5.37	-48.39
CSCC[C@H](NC(=O)NC1=NN(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300020233741	0	48	-1.0	-47.24	395.92	5.35	-41.89
CSCC[C@H](NC(=O)NC1=NN(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300020233741	1	48	-1.0	-47.24	395.86	5.34	-41.90
O=C(NC1=NN(C2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233742	0	45	-1.0	-43.83	353.81	5.44	-38.39
O=C(NC1=NN(C2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233742	1	45	-1.0	-43.82	353.73	5.43	-38.39
O=C(NC1=NN(C2CCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233743	0	51	-1.0	-49.79	375.73	7.18	-42.61
O=C(NC1=NN(C2CCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233743	1	51	-1.0	-49.81	375.69	7.17	-42.64
COCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020233744	0	42	-1.0	-54.89	358.38	4.49	-50.40
COCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020233744	1	42	-1.0	-54.91	358.32	4.46	-50.45
COCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020233745	0	42	-1.0	-44.59	337.93	4.07	-40.52
COCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020233745	1	42	-1.0	-44.61	337.99	4.09	-40.52
COCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020233746	0	39	-1.0	-53.72	323.82	3.09	-50.63
COCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020233746	1	39	-1.0	-53.73	323.88	3.11	-50.62
COCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020233747	0	42	-1.0	-49.69	367.35	3.06	-46.63
COCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020233747	1	42	-1.0	-49.68	367.41	3.07	-46.61
COCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020233748	0	39	-1.0	-44.94	324.93	3.18	-41.76
COCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020233748	1	39	-1.0	-44.93	325.00	3.19	-41.74
COCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020233749	0	45	-1.0	-41.64	351.62	4.19	-37.45
COCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020233749	1	45	-1.0	-41.65	351.66	4.20	-37.45
CN(C)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NC=N1	REAL300020233750	0	41	-1.0	-46.25	349.42	5.93	-40.32
CN(C)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NC=N1	REAL300020233750	1	41	-1.0	-46.19	349.36	5.91	-40.28
CN(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC=N1	REAL300020233751	0	41	-1.0	-44.06	326.24	4.86	-39.20
CN(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC=N1	REAL300020233751	1	41	-1.0	-44.04	326.18	4.84	-39.20
CN(C)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NC=N1	REAL300020233752	0	38	-1.0	-59.02	314.89	4.54	-54.48
CN(C)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NC=N1	REAL300020233752	1	38	-1.0	-58.97	314.83	4.52	-54.45
CSCC[C@H](NC(=O)NC1=CC(N(C)C)=NC=N1)C1=NN=N[N-]1	REAL300020233753	0	41	-1.0	-51.86	357.71	4.46	-47.40
CSCC[C@H](NC(=O)NC1=CC(N(C)C)=NC=N1)C1=N[N-]N=N1	REAL300020233753	1	41	-1.0	-51.85	357.65	4.44	-47.41
CN(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NC=N1	REAL300020233754	0	38	-1.0	-48.74	315.08	4.58	-44.16
CN(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NC=N1	REAL300020233754	1	38	-1.0	-48.72	315.00	4.56	-44.16
CN(C)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=N1	REAL300020233755	0	44	-1.0	-55.39	337.57	6.42	-48.97
CN(C)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=N1	REAL300020233755	1	44	-1.0	-55.37	337.52	6.41	-48.96
CC1(C2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NO2)CCCC1	REAL300020233756	0	47	-1.0	-46.60	382.96	7.09	-39.51
CC1(C2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NO2)CCCC1	REAL300020233756	1	47	-1.0	-46.57	382.90	7.06	-39.51
CC1(C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=NO2)CCCC1	REAL300020233757	0	47	-1.0	-42.37	363.36	6.61	-35.76
CC1(C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=NO2)CCCC1	REAL300020233757	1	47	-1.0	-42.35	363.30	6.60	-35.75
CC1(C2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=NO2)CCCC1	REAL300020233758	0	44	-1.0	-50.30	347.89	5.71	-44.59
CC1(C2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=NO2)CCCC1	REAL300020233758	1	44	-1.0	-50.27	347.84	5.68	-44.59
CSCC[C@H](NC(=O)NC1=NOC(C2(C)CCCC2)=C1)C1=NN=N[N-]1	REAL300020233759	0	47	-1.0	-44.62	391.93	5.66	-38.96
CSCC[C@H](NC(=O)NC1=NOC(C2(C)CCCC2)=C1)C1=N[N-]N=N1	REAL300020233759	1	47	-1.0	-44.66	391.87	5.65	-39.01
CC1(C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=NO2)CCCC1	REAL300020233760	0	44	-1.0	-40.90	349.37	5.75	-35.15
CC1(C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=NO2)CCCC1	REAL300020233760	1	44	-1.0	-40.90	349.29	5.74	-35.16
CC1(C2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=NO2)CCCC1	REAL300020233761	0	50	-1.0	-46.70	371.46	7.50	-39.20
CC1(C2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=NO2)CCCC1	REAL300020233761	1	50	-1.0	-46.66	371.42	7.49	-39.17
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233762	0	44	-1.0	-63.77	381.71	5.79	-57.98
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233762	1	44	-1.0	-63.77	381.66	5.76	-58.01
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233763	0	44	-1.0	-49.84	363.08	5.28	-44.56
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233763	1	44	-1.0	-49.87	363.14	5.30	-44.57
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233764	0	41	-1.0	-60.22	346.57	4.39	-55.83
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233764	1	41	-1.0	-60.26	346.62	4.41	-55.85
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020233765	0	44	-1.0	-52.03	390.88	4.36	-47.67
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020233765	1	44	-1.0	-52.02	390.94	4.37	-47.65
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233766	0	41	-1.0	-49.92	348.72	4.43	-45.49
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233766	1	41	-1.0	-49.96	348.79	4.45	-45.51
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233767	0	47	-1.0	-55.13	370.54	6.17	-48.96
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233767	1	47	-1.0	-55.12	370.60	6.18	-48.94
CCN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(F)(F)F	REAL300020233768	0	41	-1.0	-40.36	357.75	4.21	-36.15
CCN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(F)(F)F	REAL300020233768	1	41	-1.0	-40.34	357.69	4.19	-36.15
CCN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(F)(F)F	REAL300020233769	0	41	-1.0	-41.74	340.19	3.83	-37.91
CCN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(F)(F)F	REAL300020233769	1	41	-1.0	-41.77	340.13	3.82	-37.95
CCN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(F)(F)F	REAL300020233770	0	38	-1.0	-50.35	323.11	2.85	-47.50
CCN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(F)(F)F	REAL300020233770	1	38	-1.0	-50.30	323.05	2.82	-47.48
CCN1N=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C(F)(F)F	REAL300020233771	0	41	-1.0	-44.12	366.72	2.80	-41.32
CCN1N=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C(F)(F)F	REAL300020233771	1	41	-1.0	-44.07	366.67	2.78	-41.29
CCN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020233772	0	38	-1.0	-41.10	326.24	2.96	-38.14
CCN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020233772	1	38	-1.0	-41.06	326.16	2.95	-38.11
CCN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(F)(F)F	REAL300020233773	0	44	-1.0	-47.60	347.11	4.73	-42.87
CCN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(F)(F)F	REAL300020233773	1	44	-1.0	-47.57	347.06	4.73	-42.84
COC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020233774	0	46	-1.0	-45.66	385.88	4.20	-41.46
COC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020233774	1	46	-1.0	-45.60	385.82	4.18	-41.42
COC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020233775	0	46	-1.0	-46.18	363.54	3.55	-42.63
COC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020233775	1	46	-1.0	-46.21	363.60	3.56	-42.65
COC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020233776	0	43	-1.0	-58.65	350.41	2.76	-55.89
COC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020233776	1	43	-1.0	-58.59	350.47	2.78	-55.81
COC(=O)NC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020233777	0	46	-1.0	-50.28	395.06	2.77	-47.51
COC(=O)NC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020233777	1	46	-1.0	-50.29	395.12	2.79	-47.50
COC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020233778	0	43	-1.0	-47.52	351.98	2.81	-44.71
COC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020233778	1	43	-1.0	-47.55	352.05	2.83	-44.72
COC(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020233779	0	49	-1.0	-53.90	373.10	4.49	-49.41
COC(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020233779	1	49	-1.0	-53.88	373.15	4.49	-49.39
CN(CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020233780	0	53	-1.0	-45.46	411.92	9.20	-36.26
CN(CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020233780	1	53	-1.0	-45.51	411.98	9.21	-36.30
CN(CC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020233781	0	50	-1.0	-55.85	396.79	8.28	-47.57
CN(CC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020233781	1	50	-1.0	-55.86	396.85	8.30	-47.56
CN(CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020233782	0	50	-1.0	-43.65	395.90	8.40	-35.25
CN(CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020233782	1	50	-1.0	-43.68	395.97	8.41	-35.27
CCOC(=O)C1=C(C(C)=O)SC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020233783	0	45	-1.0	-53.46	391.96	5.01	-48.45
CCOC(=O)C1=C(C(C)=O)SC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020233783	1	45	-1.0	-53.45	392.02	5.03	-48.42
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020233783	1	44	-2.0	-91.72	390.80	4.15	-87.57
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020233783	1	44	-2.0	-91.72	390.86	4.16	-87.56
CCOC(=O)C1=C(C(C)=O)SC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020233784	0	42	-1.0	-69.84	375.23	4.56	-65.28
CCOC(=O)C1=C(C(C)=O)SC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020233784	1	42	-1.0	-69.86	375.29	4.56	-65.30
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020233784	1	41	-2.0	-118.56	374.10	3.25	-115.31
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020233784	1	41	-2.0	-118.58	374.16	3.26	-115.32
CCOC(=O)C1=C(C(C)=O)SC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020233785	0	42	-1.0	-53.38	377.84	4.15	-49.23
CCOC(=O)C1=C(C(C)=O)SC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020233785	1	42	-1.0	-53.40	377.91	4.17	-49.23
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020233785	1	41	-2.0	-93.49	375.83	3.11	-90.38
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020233785	1	41	-2.0	-93.43	375.91	3.11	-90.32
O=C(NC1=CN(CC2=NN=C3CCCCN23)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233786	0	51	-1.0	-53.67	404.94	5.92	-47.75
O=C(NC1=CN(CC2=NN=C3CCCCN23)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233786	1	51	-1.0	-53.69	405.00	5.93	-47.76
O=C(NC1=CN(CC2=NN=C3CCCCN23)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233787	0	48	-1.0	-66.79	389.49	5.00	-61.79
O=C(NC1=CN(CC2=NN=C3CCCCN23)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233787	1	48	-1.0	-66.82	389.55	5.01	-61.81
O=C(NC1=CN(CC2=NN=C3CCCCN23)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233788	0	48	-1.0	-55.10	390.97	5.05	-50.05
O=C(NC1=CN(CC2=NN=C3CCCCN23)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233788	1	48	-1.0	-55.06	391.04	5.05	-50.01
O=C(NC1=CNN=C1C1=NC=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233789	0	38	-1.0	-42.21	346.15	2.47	-39.74
O=C(NC1=CNN=C1C1=NC=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233789	1	38	-1.0	-42.18	346.09	2.44	-39.74
O=C(NC1=CNN=C1C1=NC=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233790	0	38	-1.0	-43.61	326.90	1.99	-41.62
O=C(NC1=CNN=C1C1=NC=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233790	1	38	-1.0	-43.62	326.95	2.00	-41.62
O=C(NC1=CNN=C1C1=NC=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020233791	0	35	-1.0	-51.58	311.45	1.07	-50.51
O=C(NC1=CNN=C1C1=NC=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020233791	1	35	-1.0	-51.62	311.51	1.07	-50.55
CSCC[C@H](NC(=O)NC1=CNN=C1C1=NC=CS1)C1=N[N-]N=N1	REAL300020233792	0	38	-1.0	-45.62	355.07	1.04	-44.58
CSCC[C@H](NC(=O)NC1=CNN=C1C1=NC=CS1)C1=NN=N[N-]1	REAL300020233792	1	38	-1.0	-45.63	355.13	1.05	-44.58
O=C(NC1=CNN=C1C1=NC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233793	0	35	-1.0	-42.59	312.93	1.12	-41.47
O=C(NC1=CNN=C1C1=NC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233793	1	35	-1.0	-42.60	313.00	1.13	-41.47
O=C(NC1=CNN=C1C1=NC=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233794	0	41	-1.0	-47.89	334.90	2.86	-45.03
O=C(NC1=CNN=C1C1=NC=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233794	1	41	-1.0	-47.82	334.94	2.86	-44.96
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(=O)N1CCCCC1	REAL300020233795	0	55	-1.0	-48.47	417.81	6.86	-41.61
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(=O)N1CCCCC1	REAL300020233795	1	55	-1.0	-48.48	417.86	6.87	-41.61
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(=O)N1CCCCC1	REAL300020233796	0	52	-1.0	-61.30	402.99	5.93	-55.37
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(=O)N1CCCCC1	REAL300020233796	1	52	-1.0	-61.29	403.05	5.95	-55.34
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(=O)N1CCCCC1	REAL300020233797	0	52	-1.0	-50.22	405.30	5.96	-44.26
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(=O)N1CCCCC1	REAL300020233797	1	52	-1.0	-50.19	405.37	5.96	-44.23
O=C(NC1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233798	0	45	-1.0	-46.95	377.73	4.64	-42.31
O=C(NC1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233798	1	45	-1.0	-46.96	377.67	4.62	-42.34
O=C(NC1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233799	0	42	-1.0	-57.09	361.53	3.76	-53.33
O=C(NC1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233799	1	42	-1.0	-57.09	361.47	3.74	-53.35
O=C(NC1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233800	0	42	-1.0	-47.75	363.50	3.80	-43.95
O=C(NC1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233800	1	42	-1.0	-47.74	363.43	3.79	-43.95
O=C(NC1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233801	0	48	-1.0	-48.76	389.76	4.88	-43.88
O=C(NC1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233801	1	48	-1.0	-48.82	389.72	4.85	-43.97
O=C(NC1=CC=C(C2=NN=CS2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233802	0	40	-1.0	-44.64	362.35	4.59	-40.05
O=C(NC1=CC=C(C2=NN=CS2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233802	1	40	-1.0	-44.62	362.29	4.57	-40.05
O=C(NC1=CC=C(C2=NN=CS2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233803	0	40	-1.0	-48.55	343.39	4.10	-44.45
O=C(NC1=CC=C(C2=NN=CS2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233803	1	40	-1.0	-48.57	343.44	4.11	-44.46
O=C(NC1=CC=C(C2=NN=CS2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233804	0	37	-1.0	-58.31	327.91	3.17	-55.14
O=C(NC1=CC=C(C2=NN=CS2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233804	1	37	-1.0	-58.29	327.96	3.19	-55.10
CSCC[C@H](NC(=O)NC1=CC=C(C2=NN=CS2)C=C1)C1=N[N-]N=N1	REAL300020233805	0	40	-1.0	-55.13	371.43	3.14	-51.99
CSCC[C@H](NC(=O)NC1=CC=C(C2=NN=CS2)C=C1)C1=NN=N[N-]1	REAL300020233805	1	40	-1.0	-55.12	371.49	3.15	-51.97
O=C(NC1=CC=C(C2=NN=CS2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233806	0	37	-1.0	-50.15	329.28	3.22	-46.93
O=C(NC1=CC=C(C2=NN=CS2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233806	1	37	-1.0	-50.18	329.35	3.23	-46.95
O=C(NC1=CC=C(C2=NN=CS2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233807	0	43	-1.0	-49.65	348.78	5.05	-44.60
O=C(NC1=CC=C(C2=NN=CS2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233807	1	43	-1.0	-49.68	348.83	5.06	-44.62
O=C(NC1=CC=NC(OC2=CC=C(F)C=C2F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233808	0	42	-1.0	-57.29	368.02	3.83	-53.46
O=C(NC1=CC=NC(OC2=CC=C(F)C=C2F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233808	1	42	-1.0	-57.30	367.96	3.82	-53.48
O=C(NC1=CC=NC(OC2=CC=C(F)C=C2F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233809	0	42	-1.0	-49.18	369.36	3.88	-45.30
O=C(NC1=CC=NC(OC2=CC=C(F)C=C2F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233809	1	42	-1.0	-49.17	369.29	3.87	-45.30
CC1=C(Br)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1F	REAL300020233810	0	38	-1.0	-40.23	327.41	5.57	-34.66
CC1=C(Br)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1F	REAL300020233810	1	38	-1.0	-40.28	327.46	5.58	-34.70
CC1=C(Br)C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1F	REAL300020233811	0	35	-1.0	-48.35	311.98	4.66	-43.69
CC1=C(Br)C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1F	REAL300020233811	1	35	-1.0	-48.36	312.04	4.67	-43.69
CC1=C(Br)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020233812	0	35	-1.0	-39.55	313.34	4.72	-34.83
CC1=C(Br)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020233812	1	35	-1.0	-39.54	313.41	4.73	-34.81
CC1=C(Br)C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020233813	0	41	-1.0	-40.59	339.96	5.73	-34.86
CC1=C(Br)C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020233813	1	41	-1.0	-40.53	340.00	5.73	-34.80
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC(C)C	REAL300020233814	0	48	-1.0	-53.78	392.88	6.37	-47.41
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC(C)C	REAL300020233814	1	48	-1.0	-53.77	392.82	6.34	-47.43
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC(C)C	REAL300020233815	0	48	-1.0	-43.94	373.70	5.96	-37.98
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC(C)C	REAL300020233815	1	48	-1.0	-43.94	373.75	5.97	-37.97
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC(C)C	REAL300020233816	0	45	-1.0	-54.48	358.71	5.04	-49.44
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC(C)C	REAL300020233816	1	45	-1.0	-54.47	358.77	5.06	-49.41
CSCC[C@H](NC(=O)NC1=CC=C(C)C(OC(C)C)=C1)C1=N[N-]N=N1	REAL300020233817	0	48	-1.0	-46.58	401.54	4.98	-41.60
CSCC[C@H](NC(=O)NC1=CC=C(C)C(OC(C)C)=C1)C1=NN=N[N-]1	REAL300020233817	1	48	-1.0	-46.57	401.60	4.99	-41.58
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC(C)C	REAL300020233818	0	45	-1.0	-43.68	360.10	5.10	-38.58
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC(C)C	REAL300020233818	1	45	-1.0	-43.68	360.17	5.10	-38.58
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC(C)C	REAL300020233819	0	51	-1.0	-42.48	383.27	5.99	-36.49
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC(C)C	REAL300020233819	1	51	-1.0	-42.48	383.31	5.99	-36.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=C(OC(F)F)C=C1F	REAL300020233820	0	39	-1.0	-53.05	353.19	4.50	-48.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=C(OC(F)F)C=C1F	REAL300020233820	1	39	-1.0	-53.08	353.25	4.53	-48.55
O=C(NC1=CC(F)=C(OC(F)F)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233821	0	39	-1.0	-43.39	334.05	4.07	-39.32
O=C(NC1=CC(F)=C(OC(F)F)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233821	1	39	-1.0	-43.42	334.10	4.08	-39.34
O=C(NC1=CC(F)=C(OC(F)F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020233822	0	36	-1.0	-51.88	319.07	3.13	-48.75
O=C(NC1=CC(F)=C(OC(F)F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020233822	1	36	-1.0	-51.88	319.13	3.14	-48.74
CSCC[C@H](NC(=O)NC1=CC(F)=C(OC(F)F)C=C1F)C1=N[N-]N=N1	REAL300020233823	0	39	-1.0	-46.31	362.60	3.08	-43.23
CSCC[C@H](NC(=O)NC1=CC(F)=C(OC(F)F)C=C1F)C1=NN=N[N-]1	REAL300020233823	1	39	-1.0	-46.35	362.65	3.09	-43.26
O=C(NC1=CC(F)=C(OC(F)F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020233824	0	36	-1.0	-43.11	320.43	3.19	-39.92
O=C(NC1=CC(F)=C(OC(F)F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020233824	1	36	-1.0	-43.13	320.50	3.20	-39.93
O=C(NC1=CC(F)=C(OC(F)F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020233825	0	42	-1.0	-43.06	347.01	4.21	-38.85
O=C(NC1=CC(F)=C(OC(F)F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020233825	1	42	-1.0	-43.03	347.04	4.22	-38.81
COC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020233826	0	45	-1.0	-56.09	371.17	5.70	-50.39
COC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020233826	1	45	-1.0	-56.04	371.11	5.68	-50.36
COC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020233827	0	45	-1.0	-44.51	350.01	5.14	-39.37
COC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020233827	1	45	-1.0	-44.57	350.07	5.16	-39.41
COC1=CC(C)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020233828	0	42	-1.0	-57.30	336.81	4.32	-52.98
COC1=CC(C)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020233828	1	42	-1.0	-57.30	336.87	4.34	-52.96
COC1=CC(C)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020233829	0	45	-1.0	-49.79	379.37	4.22	-45.57
COC1=CC(C)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020233829	1	45	-1.0	-49.78	379.43	4.24	-45.54
COC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020233830	0	42	-1.0	-45.45	337.22	4.33	-41.12
COC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020233830	1	42	-1.0	-45.49	337.29	4.34	-41.15
COC1=CC(C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020233831	0	48	-1.0	-42.31	365.55	5.29	-37.02
COC1=CC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020233831	1	48	-1.0	-42.33	365.60	5.30	-37.03
CCC1=CC(C)=CC(CC)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233832	0	50	-1.0	-43.29	397.08	8.39	-34.90
CCC1=CC(C)=CC(CC)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233832	1	50	-1.0	-43.29	397.02	8.36	-34.93
CCC1=CC(C)=CC(CC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233833	0	50	-1.0	-43.17	383.99	7.88	-35.29
CCC1=CC(C)=CC(CC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233833	1	50	-1.0	-43.14	384.05	7.90	-35.24
CCC1=CC(C)=CC(CC)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233834	0	47	-1.0	-52.47	361.41	6.71	-45.76
CCC1=CC(C)=CC(CC)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233834	1	47	-1.0	-52.49	361.47	6.73	-45.76
CCC1=CC(C)=CC(CC)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020233835	0	50	-1.0	-47.14	410.50	6.75	-40.39
CCC1=CC(C)=CC(CC)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020233835	1	50	-1.0	-47.17	410.56	6.77	-40.40
CCC1=CC(C)=CC(CC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233836	0	47	-1.0	-42.08	362.52	6.61	-35.47
CCC1=CC(C)=CC(CC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233836	1	47	-1.0	-42.04	362.60	6.61	-35.43
CCC1=CC(C)=CC(CC)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233837	0	53	-1.0	-42.42	381.35	7.09	-35.33
CCC1=CC(C)=CC(CC)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233837	1	53	-1.0	-42.40	381.40	7.10	-35.30
O=C(NC1=CC=CC(C2=NOC(C3CC3)=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233838	0	47	-1.0	-53.87	388.13	5.20	-48.67
O=C(NC1=CC=CC(C2=NOC(C3CC3)=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233838	1	47	-1.0	-53.92	388.08	5.19	-48.73
O=C(NC1=CC=CC(C2=NOC(C3CC3)=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233839	0	44	-1.0	-63.21	372.74	4.27	-58.94
O=C(NC1=CC=CC(C2=NOC(C3CC3)=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233839	1	44	-1.0	-63.19	372.68	4.26	-58.93
O=C(NC1=CC=CC(C2=NOC(C3CC3)=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233840	0	44	-1.0	-53.17	373.82	4.34	-48.83
O=C(NC1=CC=CC(C2=NOC(C3CC3)=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233840	1	44	-1.0	-53.18	373.75	4.33	-48.85
O=C(NC1=CC=CC(C2=NOC(C3CC3)=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233841	0	50	-1.0	-47.52	402.45	5.39	-42.13
O=C(NC1=CC=CC(C2=NOC(C3CC3)=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233841	1	50	-1.0	-47.52	402.40	5.37	-42.15
CC1=NC(Cl)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233842	0	37	-1.0	-43.03	333.61	4.35	-38.68
CC1=NC(Cl)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233842	1	37	-1.0	-43.02	333.55	4.33	-38.69
CC1=NC(Cl)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233843	0	37	-1.0	-41.65	312.03	3.70	-37.95
CC1=NC(Cl)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233843	1	37	-1.0	-41.70	312.08	3.72	-37.98
CC1=NC(Cl)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233844	0	34	-1.0	-49.92	298.29	2.87	-47.05
CC1=NC(Cl)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233844	1	34	-1.0	-49.93	298.35	2.90	-47.03
CSCC[C@H](NC(=O)NC1=CC=C(Cl)N=C1C)C1=N[N-]N=N1	REAL300020233845	0	37	-1.0	-43.90	341.81	2.82	-41.08
CSCC[C@H](NC(=O)NC1=CC=C(Cl)N=C1C)C1=NN=N[N-]1	REAL300020233845	1	37	-1.0	-43.88	341.86	2.84	-41.04
CC1=NC(Cl)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233846	0	34	-1.0	-42.14	299.66	2.93	-39.21
CC1=NC(Cl)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233846	1	34	-1.0	-42.15	299.73	2.94	-39.21
CC1=NC(Cl)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233847	0	40	-1.0	-46.64	319.97	4.59	-42.05
CC1=NC(Cl)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233847	1	40	-1.0	-46.59	320.02	4.61	-41.98
CC1(C)NC(=O)N(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C1=O	REAL300020233848	0	50	-1.0	-48.17	396.17	3.69	-44.48
CC1(C)NC(=O)N(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C1=O	REAL300020233848	1	50	-1.0	-48.17	396.22	3.71	-44.46
CC1(C)NC(=O)N(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C1=O	REAL300020233849	0	47	-1.0	-57.75	381.12	2.74	-55.01
CC1(C)NC(=O)N(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C1=O	REAL300020233849	1	47	-1.0	-57.72	381.17	2.76	-54.96
CC1(C)NC(=O)N(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C1=O	REAL300020233850	0	47	-1.0	-47.91	382.66	2.78	-45.13
CC1(C)NC(=O)N(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C1=O	REAL300020233850	1	47	-1.0	-47.90	382.73	2.79	-45.11
COC1=CC(SC)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233851	0	43	-1.0	-41.61	370.90	5.23	-36.38
COC1=CC(SC)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233851	1	43	-1.0	-41.59	370.85	5.21	-36.38
COC1=CC(SC)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233852	0	43	-1.0	-43.44	352.10	4.74	-38.70
COC1=CC(SC)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233852	1	43	-1.0	-43.48	352.16	4.76	-38.72
COC1=CC(SC)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233853	0	40	-1.0	-53.40	337.49	3.80	-49.60
COC1=CC(SC)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233853	1	40	-1.0	-53.45	337.55	3.83	-49.62
COC1=CC(SC)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020233854	0	43	-1.0	-46.62	381.03	3.77	-42.85
COC1=CC(SC)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020233854	1	43	-1.0	-46.65	381.09	3.79	-42.86
COC1=CC(SC)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233855	0	40	-1.0	-43.36	338.85	3.86	-39.50
COC1=CC(SC)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233855	1	40	-1.0	-43.35	338.93	3.87	-39.48
COC1=CC(SC)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233856	0	46	-1.0	-49.62	360.49	5.72	-43.90
COC1=CC(SC)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233856	1	46	-1.0	-49.65	360.54	5.72	-43.93
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC(C)=C1	REAL300020233857	0	54	-1.0	-47.51	424.10	8.08	-39.43
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC(C)=C1	REAL300020233857	1	54	-1.0	-47.51	424.16	8.10	-39.41
CCCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC(C)=C1	REAL300020233858	0	51	-1.0	-58.97	409.10	7.16	-51.81
CCCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC(C)=C1	REAL300020233858	1	51	-1.0	-58.99	409.15	7.17	-51.82
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(C)=C1	REAL300020233859	0	51	-1.0	-47.94	410.57	7.19	-40.75
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(C)=C1	REAL300020233859	1	51	-1.0	-47.92	410.64	7.20	-40.72
CN1N=C(C2=CC(F)=CC(F)=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233860	0	45	-1.0	-44.36	376.58	6.71	-37.65
CN1N=C(C2=CC(F)=CC(F)=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233860	1	45	-1.0	-44.31	376.52	6.69	-37.62
CN1N=C(C2=CC(F)=CC(F)=C2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233861	0	42	-1.0	-54.11	361.11	5.78	-48.33
CN1N=C(C2=CC(F)=CC(F)=C2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233861	1	42	-1.0	-54.14	361.06	5.78	-48.36
CN1N=C(C2=CC(F)=CC(F)=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233862	0	42	-1.0	-44.50	362.61	5.85	-38.65
CN1N=C(C2=CC(F)=CC(F)=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233862	1	42	-1.0	-44.52	362.53	5.84	-38.68
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233863	0	45	-1.0	-44.16	371.79	8.36	-35.80
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233863	1	45	-1.0	-44.19	371.85	8.38	-35.81
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020233864	0	42	-1.0	-57.58	357.65	7.45	-50.13
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020233864	1	42	-1.0	-57.61	357.71	7.47	-50.14
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020233865	0	42	-1.0	-44.31	358.12	7.47	-36.84
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020233865	1	42	-1.0	-44.33	358.19	7.49	-36.84
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020233866	0	48	-1.0	-50.12	380.94	9.23	-40.89
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020233866	1	48	-1.0	-50.08	381.00	9.24	-40.84
COC1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233867	0	39	-1.0	-42.40	338.25	0.48	-41.92
COC1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233867	1	39	-1.0	-42.42	338.19	0.45	-41.97
COC1=NN(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233868	0	39	-1.0	-43.93	319.05	0.00	-43.93
COC1=NN(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233868	1	39	-1.0	-43.85	318.99	-0.01	-43.86
COC1=NN(C)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020233869	0	39	-1.0	-45.52	347.22	-0.94	-46.46
COC1=NN(C)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020233869	1	39	-1.0	-45.51	347.16	-0.95	-46.46
COC1=NN(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233870	0	42	-1.0	-47.75	327.61	1.00	-46.75
COC1=NN(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233870	1	42	-1.0	-47.77	327.55	0.99	-46.78
CC1=CC(F)=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233871	0	38	-1.0	-44.86	328.70	5.80	-39.06
CC1=CC(F)=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233871	1	38	-1.0	-44.88	328.76	5.82	-39.06
CC1=CC(F)=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233872	0	35	-1.0	-52.90	313.29	4.90	-48.00
CC1=CC(F)=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233872	1	35	-1.0	-52.93	313.35	4.92	-48.01
CC1=CC(F)=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233873	0	35	-1.0	-44.74	314.66	4.96	-39.78
CC1=CC(F)=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233873	1	35	-1.0	-44.73	314.74	4.97	-39.76
CC1=CC(F)=C(Br)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233874	0	41	-1.0	-48.97	336.23	6.66	-42.31
CC1=CC(F)=C(Br)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233874	1	41	-1.0	-48.98	336.28	6.66	-42.32
CNC(=O)C1=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2N1	REAL300020233875	0	46	-1.0	-59.65	393.18	3.04	-56.61
CNC(=O)C1=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2N1	REAL300020233875	1	46	-1.0	-59.61	393.12	3.02	-56.59
CNC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2N1	REAL300020233876	0	46	-1.0	-48.32	374.49	2.48	-45.84
CNC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2N1	REAL300020233876	1	46	-1.0	-48.30	374.55	2.49	-45.81
CNC(=O)C1=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2N1	REAL300020233877	0	43	-1.0	-64.31	359.09	1.57	-62.74
CNC(=O)C1=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2N1	REAL300020233877	1	43	-1.0	-64.32	359.15	1.59	-62.73
CNC(=O)C1=CC2=CC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C2N1	REAL300020233878	0	46	-1.0	-51.34	402.61	1.54	-49.80
CNC(=O)C1=CC2=CC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C2N1	REAL300020233878	1	46	-1.0	-51.36	402.67	1.55	-49.81
CNC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020233879	0	43	-1.0	-48.30	360.19	1.67	-46.63
CNC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020233879	1	43	-1.0	-48.30	360.27	1.67	-46.63
CNC(=O)C1=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1	REAL300020233880	0	49	-1.0	-49.12	386.79	2.66	-46.46
CNC(=O)C1=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1	REAL300020233880	1	49	-1.0	-47.67	386.87	2.68	-44.99
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1N1CC2CCC1C2	REAL300020233881	0	51	-1.0	-41.69	391.37	6.66	-35.03
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1N1CC2CCC1C2	REAL300020233881	1	51	-1.0	-41.69	391.31	6.63	-35.06
O=C(NC1=CC=CC=C1N1CC2CCC1C2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233882	0	51	-1.0	-42.33	371.31	5.82	-36.51
O=C(NC1=CC=CC=C1N1CC2CCC1C2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233882	1	51	-1.0	-42.31	371.36	5.83	-36.48
O=C(NC1=CC=CC=C1N1CC2CCC1C2)N1CCCC1C1=N[N-]N=N1	REAL300020233883	0	48	-1.0	-56.42	355.22	5.19	-51.23
O=C(NC1=CC=CC=C1N1CC2CCC1C2)N1CCCC1C1=NN=N[N-]1	REAL300020233883	1	48	-1.0	-56.42	355.28	5.20	-51.22
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CC2CCC1C2)C1=N[N-]N=N1	REAL300020233884	0	51	-1.0	-48.01	402.46	4.93	-43.08
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1CC2CCC1C2)C1=NN=N[N-]1	REAL300020233884	1	51	-1.0	-47.98	402.52	4.94	-43.04
O=C(NC1=CC=CC=C1N1CC2CCC1C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020233885	0	48	-1.0	-43.91	357.64	5.30	-38.61
O=C(NC1=CC=CC=C1N1CC2CCC1C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020233885	1	48	-1.0	-43.96	357.71	5.31	-38.65
O=C(NC1=CC=CC=C1N1CC2CCC1C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020233886	0	54	-1.0	-51.82	378.12	7.14	-44.68
O=C(NC1=CC=CC=C1N1CC2CCC1C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020233886	1	54	-1.0	-51.79	378.13	7.15	-44.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(Cl)C=CC2=C1CCO2	REAL300020233887	0	40	-1.0	-43.07	349.38	5.18	-37.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(Cl)C=CC2=C1CCO2	REAL300020233887	1	40	-1.0	-43.11	349.33	5.15	-37.96
O=C(NC1=C(Cl)C=CC2=C1CCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233888	0	40	-1.0	-41.87	333.27	4.73	-37.14
O=C(NC1=C(Cl)C=CC2=C1CCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233888	1	40	-1.0	-41.87	333.32	4.74	-37.13
O=C(NC1=C(Cl)C=CC2=C1CCO2)N1CCCC1C1=N[N-]N=N1	REAL300020233889	0	37	-1.0	-55.46	324.96	3.98	-51.48
O=C(NC1=C(Cl)C=CC2=C1CCO2)N1CCCC1C1=NN=N[N-]1	REAL300020233889	1	37	-1.0	-55.49	325.02	3.99	-51.50
CSCC[C@H](NC(=O)NC1=C(Cl)C=CC2=C1CCO2)C1=N[N-]N=N1	REAL300020233890	0	40	-1.0	-47.45	368.50	3.93	-43.52
CSCC[C@H](NC(=O)NC1=C(Cl)C=CC2=C1CCO2)C1=NN=N[N-]1	REAL300020233890	1	40	-1.0	-47.47	368.56	3.94	-43.53
O=C(NC1=C(Cl)C=CC2=C1CCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020233891	0	37	-1.0	-45.32	326.30	4.02	-41.30
O=C(NC1=C(Cl)C=CC2=C1CCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020233891	1	37	-1.0	-45.34	326.38	4.03	-41.31
O=C(NC1=C(Cl)C=CC2=C1CCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020233892	0	43	-1.0	-48.87	335.86	4.06	-44.81
O=C(NC1=C(Cl)C=CC2=C1CCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020233892	1	43	-1.0	-48.86	335.90	4.05	-44.81
CC1=CC=C(C2=CC=C(Cl)C=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020233893	0	45	-1.0	-43.35	379.91	7.64	-35.71
CC1=CC=C(C2=CC=C(Cl)C=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020233893	1	45	-1.0	-43.37	379.97	7.66	-35.71
CC1=CC=C(C2=CC=C(Cl)C=C2NC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300020233894	0	42	-1.0	-56.36	366.10	6.68	-49.68
CC1=CC=C(C2=CC=C(Cl)C=C2NC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300020233894	1	42	-1.0	-56.34	366.16	6.70	-49.64
CC1=CC=C(C2=CC=C(Cl)C=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020233895	0	42	-1.0	-44.35	367.60	6.73	-37.62
CC1=CC=C(C2=CC=C(Cl)C=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020233895	1	42	-1.0	-44.32	367.68	6.74	-37.58
COC1CCOC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C21	REAL300020233896	0	47	-1.0	-54.97	386.60	4.65	-50.32
COC1CCOC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C21	REAL300020233896	1	47	-1.0	-54.99	386.54	4.63	-50.36
COC1CCOC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300020233897	0	47	-1.0	-44.47	367.09	4.16	-40.31
COC1CCOC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300020233897	1	47	-1.0	-44.40	367.14	4.17	-40.23
COC1CCOC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020233898	0	44	-1.0	-56.48	353.28	3.23	-53.25
COC1CCOC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020233898	1	44	-1.0	-56.49	353.34	3.25	-53.24
COC1CCOC2=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=CC=C21	REAL300020233899	0	47	-1.0	-49.95	396.82	3.20	-46.75
COC1CCOC2=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=CC=C21	REAL300020233899	1	47	-1.0	-49.93	396.88	3.22	-46.71
COC1CCOC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020233900	0	44	-1.0	-45.49	354.68	3.28	-42.21
COC1CCOC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020233900	1	44	-1.0	-45.50	354.76	3.30	-42.20
COC1CCOC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020233901	0	50	-1.0	-45.07	382.62	4.33	-40.74
COC1CCOC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020233901	1	50	-1.0	-45.05	382.67	4.35	-40.70
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CC(C)O1	REAL300020233902	0	53	-1.0	-47.81	408.39	3.93	-43.88
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CC(C)O1	REAL300020233902	1	53	-1.0	-47.83	408.44	3.95	-43.88
CC1CN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)CC(C)O1	REAL300020233903	0	50	-1.0	-52.44	393.01	3.08	-49.36
CC1CN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)CC(C)O1	REAL300020233903	1	50	-1.0	-52.43	393.07	3.10	-49.33
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)CC(C)O1	REAL300020233904	0	50	-1.0	-43.99	394.16	3.17	-40.82
CC1CN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)CC(C)O1	REAL300020233904	1	50	-1.0	-43.99	394.23	3.17	-40.82
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020233905	0	42	-2.0	-94.16	366.08	5.53	-88.63
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020233905	1	42	-2.0	-94.17	366.14	5.55	-88.62
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020233906	0	39	-2.0	-117.51	350.30	4.44	-113.07
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020233906	1	39	-2.0	-117.51	350.35	4.46	-113.05
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020233907	0	39	-2.0	-95.61	351.04	4.48	-91.13
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020233907	1	39	-2.0	-95.60	351.12	4.49	-91.11
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1NC(=O)N(C)C	REAL300020233908	0	50	-1.0	-48.42	404.87	5.63	-42.79
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1NC(=O)N(C)C	REAL300020233908	1	50	-1.0	-48.43	404.81	5.60	-42.83
CC1=C(NC(=O)N(C)C)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233909	0	50	-1.0	-49.06	384.37	5.08	-43.98
CC1=C(NC(=O)N(C)C)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233909	1	50	-1.0	-49.06	384.42	5.09	-43.97
CC1=C(NC(=O)N(C)C)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233910	0	47	-1.0	-62.85	371.12	4.24	-58.61
CC1=C(NC(=O)N(C)C)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233910	1	47	-1.0	-62.88	371.18	4.25	-58.63
CSCC[C@H](NC(=O)NC1=CC=CC(NC(=O)N(C)C)=C1C)C1=N[N-]N=N1	REAL300020233911	0	50	-1.0	-53.77	416.05	4.25	-49.52
CSCC[C@H](NC(=O)NC1=CC=CC(NC(=O)N(C)C)=C1C)C1=NN=N[N-]1	REAL300020233911	1	50	-1.0	-53.81	416.10	4.27	-49.54
CC1=C(NC(=O)N(C)C)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233912	0	47	-1.0	-51.09	373.38	4.28	-46.81
CC1=C(NC(=O)N(C)C)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233912	1	47	-1.0	-51.10	373.45	4.30	-46.80
CC1=C(NC(=O)N(C)C)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233913	0	53	-1.0	-58.51	394.38	6.00	-52.51
CC1=C(NC(=O)N(C)C)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233913	1	53	-1.0	-58.52	394.43	6.01	-52.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2CCC2=O)=C1	REAL300020233914	0	43	-1.0	-59.06	368.67	5.09	-53.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2CCC2=O)=C1	REAL300020233914	1	43	-1.0	-59.11	368.62	5.07	-54.04
O=C(NC1=CC=CC(N2CCC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233915	0	43	-1.0	-51.11	349.55	4.60	-46.51
O=C(NC1=CC=CC(N2CCC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233915	1	43	-1.0	-51.07	349.61	4.61	-46.46
O=C(NC1=CC(N2CCC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233916	0	40	-1.0	-61.62	334.17	3.70	-57.92
O=C(NC1=CC(N2CCC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233916	1	40	-1.0	-61.64	334.23	3.72	-57.92
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCC2=O)=C1)C1=N[N-]N=N1	REAL300020233917	0	43	-1.0	-54.29	377.66	3.66	-50.63
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCC2=O)=C1)C1=NN=N[N-]1	REAL300020233917	1	43	-1.0	-54.34	377.72	3.68	-50.66
O=C(NC1=CC=CC(N2CCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233918	0	40	-1.0	-50.91	335.51	3.76	-47.15
O=C(NC1=CC=CC(N2CCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233918	1	40	-1.0	-50.96	335.58	3.77	-47.19
O=C(NC1=CC(N2CCC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233919	0	46	-1.0	-57.08	363.89	4.80	-52.28
O=C(NC1=CC(N2CCC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233919	1	46	-1.0	-57.04	363.94	4.83	-52.21
CC1=CC(Br)=CC(F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233920	0	38	-1.0	-46.46	330.10	5.88	-40.58
CC1=CC(Br)=CC(F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233920	1	38	-1.0	-46.45	330.16	5.90	-40.55
CC1=CC(Br)=CC(F)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233921	0	35	-1.0	-51.34	320.03	5.03	-46.31
CC1=CC(Br)=CC(F)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233921	1	35	-1.0	-51.36	320.09	5.05	-46.31
CC1=CC(Br)=CC(F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233922	0	35	-1.0	-44.28	321.42	5.09	-39.19
CC1=CC(Br)=CC(F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233922	1	35	-1.0	-44.33	321.50	5.10	-39.23
CC1=CC(Br)=CC(F)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233923	0	41	-1.0	-41.13	340.14	5.66	-35.47
CC1=CC(Br)=CC(F)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233923	1	41	-1.0	-41.09	340.20	5.68	-35.41
CCNC(=O)NC1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020233924	0	50	-1.0	-56.67	413.91	4.06	-52.61
CCNC(=O)NC1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020233924	1	50	-1.0	-56.70	413.85	4.04	-52.66
CCNC(=O)NC1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020233925	0	50	-1.0	-48.37	392.87	3.48	-44.89
CCNC(=O)NC1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020233925	1	50	-1.0	-48.37	392.93	3.49	-44.88
CCNC(=O)NC1=CC=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020233926	0	47	-1.0	-55.07	378.72	2.63	-52.44
CCNC(=O)NC1=CC=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020233926	1	47	-1.0	-55.07	378.77	2.66	-52.41
CCNC(=O)NC1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020233927	0	50	-1.0	-51.83	422.37	2.59	-49.24
CCNC(=O)NC1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020233927	1	50	-1.0	-51.85	422.43	2.61	-49.24
CCNC(=O)NC1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020233928	0	47	-1.0	-46.88	380.05	2.69	-44.19
CCNC(=O)NC1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020233928	1	47	-1.0	-46.86	380.13	2.70	-44.16
CCNC(=O)NC1=CC=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020233929	0	53	-1.0	-55.74	401.73	4.36	-51.38
CCNC(=O)NC1=CC=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020233929	1	53	-1.0	-55.75	401.79	4.37	-51.38
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(Cl)=C1F	REAL300020233930	0	41	-1.0	-45.78	359.57	5.46	-40.32
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(Cl)=C1F	REAL300020233930	1	41	-1.0	-45.78	359.63	5.47	-40.31
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(Cl)=C1F	REAL300020233931	0	38	-1.0	-53.93	344.00	4.57	-49.36
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(Cl)=C1F	REAL300020233931	1	38	-1.0	-53.90	344.06	4.59	-49.31
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1F	REAL300020233932	0	38	-1.0	-45.70	345.42	4.63	-41.07
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1F	REAL300020233932	1	38	-1.0	-45.69	345.49	4.63	-41.06
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Cl)=C1F	REAL300020233933	0	44	-1.0	-38.46	371.98	5.61	-32.85
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Cl)=C1F	REAL300020233933	1	44	-1.0	-38.43	372.03	5.62	-32.81
CC(C)CC1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020233934	0	45	-1.0	-42.75	374.67	4.79	-37.96
CC(C)CC1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020233934	1	45	-1.0	-42.75	374.61	4.76	-37.99
CC(C)CC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020233935	0	45	-1.0	-44.31	356.31	4.25	-40.06
CC(C)CC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020233935	1	45	-1.0	-44.36	356.37	4.27	-40.09
CC(C)CC1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020233936	0	42	-1.0	-54.49	340.79	3.38	-51.11
CC(C)CC1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020233936	1	42	-1.0	-54.52	340.85	3.40	-51.12
CSCC[C@H](NC(=O)NC1=CN=C(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300020233937	0	45	-1.0	-47.37	384.31	3.34	-44.03
CSCC[C@H](NC(=O)NC1=CN=C(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300020233937	1	45	-1.0	-47.36	384.36	3.35	-44.01
CC(C)CC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020233938	0	42	-1.0	-44.17	342.20	3.42	-40.75
CC(C)CC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020233938	1	42	-1.0	-44.15	342.27	3.44	-40.71
CC(C)CC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020233939	0	48	-1.0	-39.87	369.21	4.41	-35.46
CC(C)CC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020233939	1	48	-1.0	-39.84	369.26	4.42	-35.42
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020233940	0	45	-1.0	-52.34	384.77	5.55	-46.79
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020233940	1	45	-1.0	-52.36	384.71	5.53	-46.83
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020233941	0	45	-1.0	-46.87	366.01	5.00	-41.87
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020233941	1	45	-1.0	-46.90	366.07	5.02	-41.88
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC	REAL300020233942	0	42	-1.0	-54.63	350.75	4.08	-50.55
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC	REAL300020233942	1	42	-1.0	-54.63	350.81	4.09	-50.54
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020233943	0	45	-1.0	-49.24	393.94	4.07	-45.17
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020233943	1	45	-1.0	-49.23	393.99	4.09	-45.14
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020233944	0	42	-1.0	-46.81	352.12	4.14	-42.67
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020233944	1	42	-1.0	-46.83	352.19	4.15	-42.68
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020233945	0	48	-1.0	-42.88	378.33	5.15	-37.73
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020233945	1	48	-1.0	-42.90	378.37	5.16	-37.74
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC=C1C	REAL300020233946	0	51	-1.0	-47.34	399.20	7.54	-39.80
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC=C1C	REAL300020233946	1	51	-1.0	-47.39	399.26	7.55	-39.84
CCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL300020233947	0	48	-1.0	-58.59	384.35	6.67	-51.92
CCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL300020233947	1	48	-1.0	-58.59	384.40	6.69	-51.90
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1C	REAL300020233948	0	48	-1.0	-47.50	386.12	6.71	-40.79
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1C	REAL300020233948	1	48	-1.0	-47.53	386.20	6.73	-40.80
CCC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL300020233949	0	54	-1.0	-55.69	407.15	8.55	-47.14
CCC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL300020233949	1	54	-1.0	-55.71	407.20	8.58	-47.13
CCC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C(CC)CC	REAL300020233950	0	53	-1.0	-44.97	422.09	6.71	-38.26
CCC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C(CC)CC	REAL300020233950	1	53	-1.0	-44.95	422.03	6.69	-38.26
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C(CC)CC	REAL300020233951	0	53	-1.0	-46.96	402.76	6.22	-40.74
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C(CC)CC	REAL300020233951	1	53	-1.0	-46.99	402.82	6.24	-40.75
CCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C(CC)CC	REAL300020233952	0	50	-1.0	-59.55	387.42	5.31	-54.24
CCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C(CC)CC	REAL300020233952	1	50	-1.0	-59.58	387.48	5.33	-54.25
CCC1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C(CC)CC	REAL300020233953	0	53	-1.0	-51.54	431.02	5.28	-46.26
CCC1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C(CC)CC	REAL300020233953	1	53	-1.0	-51.57	431.08	5.30	-46.27
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C(CC)CC	REAL300020233954	0	50	-1.0	-47.60	388.88	5.35	-42.25
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C(CC)CC	REAL300020233954	1	50	-1.0	-47.61	388.96	5.36	-42.25
CCC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C(CC)CC	REAL300020233955	0	56	-1.0	-56.44	411.42	7.23	-49.21
CCC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C(CC)CC	REAL300020233955	1	56	-1.0	-56.44	411.48	7.23	-49.21
CCCCN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(C)C	REAL300020233956	0	53	-1.0	-44.37	422.51	7.02	-37.35
CCCCN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(C)C	REAL300020233956	1	53	-1.0	-44.39	422.45	6.99	-37.40
CCCCN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(C)C	REAL300020233957	0	53	-1.0	-46.18	403.24	6.51	-39.67
CCCCN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(C)C	REAL300020233957	1	53	-1.0	-46.16	403.29	6.53	-39.63
CCCCN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(C)C	REAL300020233958	0	50	-1.0	-58.80	387.81	5.61	-53.19
CCCCN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(C)C	REAL300020233958	1	50	-1.0	-58.79	387.86	5.64	-53.15
CCCCN1N=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C(C)C	REAL300020233959	0	53	-1.0	-50.50	431.41	5.58	-44.92
CCCCN1N=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C(C)C	REAL300020233959	1	53	-1.0	-50.47	431.47	5.59	-44.88
CCCCN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(C)C	REAL300020233960	0	50	-1.0	-46.89	389.29	5.67	-41.22
CCCCN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(C)C	REAL300020233960	1	50	-1.0	-46.90	389.36	5.68	-41.22
CCCCN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(C)C	REAL300020233961	0	56	-1.0	-55.91	411.82	7.52	-48.39
CCCCN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(C)C	REAL300020233961	1	56	-1.0	-55.90	411.87	7.53	-48.37
CN1N=C(C2=CC=C(F)C=C2F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233962	0	45	-1.0	-47.43	373.44	6.61	-40.82
CN1N=C(C2=CC=C(F)C=C2F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233962	1	45	-1.0	-47.40	373.38	6.59	-40.81
CN1N=C(C2=CC=C(F)C=C2F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233963	0	42	-1.0	-59.49	357.99	5.69	-53.80
CN1N=C(C2=CC=C(F)C=C2F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233963	1	42	-1.0	-59.40	357.94	5.68	-53.72
CN1N=C(C2=CC=C(F)C=C2F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233964	0	42	-1.0	-48.25	359.49	5.75	-42.50
CN1N=C(C2=CC=C(F)C=C2F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233964	1	42	-1.0	-48.25	359.41	5.74	-42.51
CC1=C(F)C=C2N=C([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=C1	REAL300020233965	0	39	-2.0	-90.64	360.44	5.31	-85.33
CC1=C(F)C=C2N=C([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=C1	REAL300020233965	1	39	-2.0	-90.62	360.38	5.28	-85.34
CC1=C(F)C=C2N=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=C1	REAL300020233965	1	40	-1.0	-55.40	363.70	6.50	-48.90
CC1=C(F)C=C2N=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=C1	REAL300020233965	1	40	-1.0	-55.38	363.64	6.47	-48.91
CC1=C(F)C=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=C1	REAL300020233966	0	40	-1.0	-48.70	344.51	6.03	-42.67
CC1=C(F)C=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=C1	REAL300020233966	1	40	-1.0	-48.68	344.45	6.01	-42.67
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=C1	REAL300020233966	1	39	-2.0	-92.89	343.47	5.19	-87.70
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=C1	REAL300020233966	1	39	-2.0	-92.88	343.41	5.17	-87.71
CC1=C(F)C=C2N=C(NC(=O)N3CCCC3C3=NN=N[N-]3)SC2=C1	REAL300020233967	0	37	-1.0	-61.02	329.04	5.09	-55.93
CC1=C(F)C=C2N=C(NC(=O)N3CCCC3C3=N[N-]N=N3)SC2=C1	REAL300020233967	1	37	-1.0	-61.05	328.98	5.09	-55.96
CC1=C(F)C=C2N=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)SC2=C1	REAL300020233967	1	36	-2.0	-116.88	327.58	4.06	-112.82
CC1=C(F)C=C2N=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)SC2=C1	REAL300020233967	1	36	-2.0	-116.86	327.63	4.07	-112.79
CSCC[C@H](NC(=O)NC1=NC2=CC(F)=C(C)C=C2S1)C1=NN=N[N-]1	REAL300020233968	0	40	-1.0	-52.83	372.66	5.07	-47.76
CSCC[C@H](NC(=O)NC1=NC2=CC(F)=C(C)C=C2S1)C1=N[N-]N=N1	REAL300020233968	1	40	-1.0	-52.82	372.60	5.06	-47.76
CSCC[C@H](NC(=O)[N-]C1=NC2=CC(F)=C(C)C=C2S1)C1=N[N-]N=N1	REAL300020233968	1	39	-2.0	-106.26	369.35	3.87	-102.39
CSCC[C@H](NC(=O)[N-]C1=NC2=CC(F)=C(C)C=C2S1)C1=NN=N[N-]1	REAL300020233968	1	39	-2.0	-106.26	369.41	3.88	-102.38
CC1=C(F)C=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020233969	0	37	-1.0	-49.54	330.51	5.17	-44.37
CC1=C(F)C=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020233969	1	37	-1.0	-49.52	330.44	5.15	-44.37
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020233969	1	36	-2.0	-94.78	328.41	4.12	-90.66
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020233969	1	36	-2.0	-94.81	328.33	4.10	-90.71
CC1=C(F)C=C2N=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=C1	REAL300020233970	0	43	-1.0	-56.97	352.97	6.89	-50.08
CC1=C(F)C=C2N=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=C1	REAL300020233970	1	43	-1.0	-56.94	352.91	6.87	-50.07
CC1=C(F)C=C2N=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=C1	REAL300020233970	1	42	-2.0	-100.45	356.47	5.75	-94.70
CC1=C(F)C=C2N=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=C1	REAL300020233970	1	42	-2.0	-100.52	356.41	5.74	-94.78
O=C(NC1=CC(S(=O)(=O)N2CCCC2)=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020233971	0	46	-1.0	-61.83	386.94	2.23	-59.60
O=C(NC1=CC(S(=O)(=O)N2CCCC2)=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020233971	1	46	-1.0	-61.82	386.89	2.23	-59.59
O=C(NC1=CC(S(=O)(=O)N2CCCC2)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233972	0	46	-1.0	-50.81	388.48	2.28	-48.53
O=C(NC1=CC(S(=O)(=O)N2CCCC2)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233972	1	46	-1.0	-50.81	388.40	2.26	-48.55
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233973	0	45	-1.0	-46.24	379.94	6.92	-39.32
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233973	1	45	-1.0	-46.22	379.88	6.90	-39.32
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233974	0	45	-1.0	-45.24	361.02	6.42	-38.82
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233974	1	45	-1.0	-45.26	360.97	6.41	-38.85
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233975	0	42	-1.0	-55.24	344.51	5.45	-49.79
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233975	1	42	-1.0	-55.23	344.45	5.42	-49.81
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC=N2)C=C1C)C1=NN=N[N-]1	REAL300020233976	0	45	-1.0	-48.22	389.25	5.45	-42.77
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC=N2)C=C1C)C1=N[N-]N=N1	REAL300020233976	1	45	-1.0	-48.22	389.20	5.43	-42.79
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233977	0	42	-1.0	-45.42	346.13	5.48	-39.94
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233977	1	42	-1.0	-45.45	346.05	5.47	-39.98
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233978	0	48	-1.0	-51.49	368.48	7.32	-44.17
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233978	1	48	-1.0	-51.45	368.43	7.31	-44.14
CC(C)(C)OC(=O)CCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020233979	0	53	-1.0	-55.66	422.07	7.64	-48.02
CC(C)(C)OC(=O)CCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020233979	1	53	-1.0	-55.68	422.13	7.66	-48.02
CC(C)(C)OC(=O)CCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020233980	0	53	-1.0	-46.22	423.12	7.71	-38.51
CC(C)(C)OC(=O)CCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020233980	1	53	-1.0	-46.24	423.19	7.73	-38.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1CCO2	REAL300020233981	0	40	-1.0	-53.55	337.67	4.65	-48.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1CCO2	REAL300020233981	1	40	-1.0	-53.54	337.62	4.62	-48.92
O=C(NC1=CC=CC2=C1CCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233982	0	40	-1.0	-44.10	318.05	4.16	-39.94
O=C(NC1=CC=CC2=C1CCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233982	1	40	-1.0	-44.14	318.11	4.18	-39.96
O=C(NC1=CC=CC2=C1CCO2)N1CCCC1C1=N[N-]N=N1	REAL300020233983	0	37	-1.0	-54.64	304.31	3.27	-51.37
O=C(NC1=CC=CC2=C1CCO2)N1CCCC1C1=NN=N[N-]1	REAL300020233983	1	37	-1.0	-54.69	304.37	3.27	-51.42
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCO2)C1=N[N-]N=N1	REAL300020233984	0	40	-1.0	-46.40	347.84	3.22	-43.18
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCO2)C1=NN=N[N-]1	REAL300020233984	1	40	-1.0	-46.41	347.90	3.24	-43.17
O=C(NC1=CC=CC2=C1CCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020233985	0	37	-1.0	-44.07	305.71	3.31	-40.76
O=C(NC1=CC=CC2=C1CCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020233985	1	37	-1.0	-44.12	305.79	3.32	-40.80
O=C(NC1=CC=CC2=C1CCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020233986	0	43	-1.0	-49.41	323.96	5.13	-44.28
O=C(NC1=CC=CC2=C1CCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020233986	1	43	-1.0	-49.45	324.00	5.13	-44.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C(N2CCOC2=O)=C1	REAL300020233987	0	44	-1.0	-60.45	385.43	5.34	-55.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C(N2CCOC2=O)=C1	REAL300020233987	1	44	-1.0	-60.41	385.49	5.37	-55.04
O=C(NC1=CC=C(F)C(N2CCOC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233988	0	44	-1.0	-53.31	366.56	4.85	-48.46
O=C(NC1=CC=C(F)C(N2CCOC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233988	1	44	-1.0	-53.30	366.62	4.86	-48.44
O=C(NC1=CC=C(F)C(N2CCOC2=O)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233989	0	41	-1.0	-67.72	350.82	3.98	-63.74
O=C(NC1=CC=C(F)C(N2CCOC2=O)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233989	1	41	-1.0	-67.78	350.88	4.00	-63.78
CSCC[C@H](NC(=O)NC1=CC=C(F)C(N2CCOC2=O)=C1)C1=N[N-]N=N1	REAL300020233990	0	44	-1.0	-58.68	394.61	3.91	-54.77
CSCC[C@H](NC(=O)NC1=CC=C(F)C(N2CCOC2=O)=C1)C1=NN=N[N-]1	REAL300020233990	1	44	-1.0	-58.68	394.67	3.93	-54.75
O=C(NC1=CC=C(F)C(N2CCOC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233991	0	41	-1.0	-57.42	352.47	4.01	-53.41
O=C(NC1=CC=C(F)C(N2CCOC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233991	1	41	-1.0	-57.40	352.54	4.01	-53.39
O=C(NC1=CC=C(F)C(N2CCOC2=O)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233992	0	47	-1.0	-51.96	378.89	5.05	-46.91
O=C(NC1=CC=C(F)C(N2CCOC2=O)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233992	1	47	-1.0	-51.96	378.90	5.05	-46.91
O=C(NC1=CC=C(OC(F)F)C(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020233993	0	39	-1.0	-52.88	345.47	4.02	-48.86
O=C(NC1=CC=C(OC(F)F)C(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020233993	1	39	-1.0	-52.85	345.53	4.03	-48.82
O=C(NC1=CC=C(OC(F)F)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233994	0	39	-1.0	-44.70	346.86	4.07	-40.63
O=C(NC1=CC=C(OC(F)F)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233994	1	39	-1.0	-44.72	346.93	4.08	-40.64
O=C(NC1=CC2=NC=CN2C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233995	0	38	-1.0	-46.45	332.49	5.42	-41.03
O=C(NC1=CC2=NC=CN2C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233995	1	38	-1.0	-46.47	332.43	5.40	-41.07
O=C(NC1=CC2=NC=CN2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233996	0	38	-1.0	-44.65	308.18	4.66	-39.99
O=C(NC1=CC2=NC=CN2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233996	1	38	-1.0	-44.63	308.24	4.68	-39.95
CSCC[C@H](NC(=O)NC1=CC2=NC=CN2C=C1)C1=N[N-]N=N1	REAL300020233997	0	38	-1.0	-50.69	341.89	3.93	-46.76
CSCC[C@H](NC(=O)NC1=CC2=NC=CN2C=C1)C1=NN=N[N-]1	REAL300020233997	1	38	-1.0	-50.70	341.94	3.94	-46.76
O=C(NC1=CC2=NC=CN2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233998	0	41	-1.0	-46.67	323.03	5.05	-41.62
O=C(NC1=CC2=NC=CN2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233998	1	41	-1.0	-46.71	323.07	5.05	-41.66
CCC(C)N1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020233999	0	47	-1.0	-45.64	384.15	5.25	-40.39
CCC(C)N1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020233999	1	47	-1.0	-45.64	384.09	5.22	-40.42
CCC(C)N1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020234000	0	47	-1.0	-47.02	364.89	4.77	-42.25
CCC(C)N1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020234000	1	47	-1.0	-47.04	364.94	4.79	-42.25
CCC(C)N1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020234001	0	44	-1.0	-59.49	349.42	3.84	-55.65
CCC(C)N1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020234001	1	44	-1.0	-59.50	349.47	3.86	-55.64
CCC(C)N1N=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020234002	0	47	-1.0	-51.68	393.03	3.82	-47.86
CCC(C)N1N=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020234002	1	47	-1.0	-51.66	393.09	3.83	-47.83
CCC(C)N1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020234003	0	44	-1.0	-48.21	350.90	3.88	-44.33
CCC(C)N1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020234003	1	44	-1.0	-48.27	350.98	3.90	-44.37
CCC(C)N1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020234004	0	50	-1.0	-56.35	373.42	5.76	-50.59
CCC(C)N1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020234004	1	50	-1.0	-56.36	373.48	5.76	-50.60
CCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1Cl	REAL300020234005	0	45	-1.0	-62.49	380.72	6.40	-56.09
CCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1Cl	REAL300020234005	1	45	-1.0	-62.49	380.78	6.42	-56.07
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1Cl	REAL300020234006	0	45	-1.0	-50.03	382.18	6.45	-43.58
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1Cl	REAL300020234006	1	45	-1.0	-50.09	382.25	6.47	-43.62
CCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=C(Cl)C=C1	REAL300020234007	0	45	-1.0	-57.30	382.45	6.23	-51.07
CCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300020234007	1	45	-1.0	-57.34	382.50	6.24	-51.10
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020234008	0	45	-1.0	-46.26	383.97	6.28	-39.98
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020234008	1	45	-1.0	-46.21	384.05	6.29	-39.92
CCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC(Cl)=C1	REAL300020234009	0	45	-1.0	-59.08	382.42	6.24	-52.84
CCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300020234009	1	45	-1.0	-59.06	382.48	6.26	-52.80
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020234010	0	45	-1.0	-48.47	383.92	6.29	-42.18
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(Cl)=C1	REAL300020234010	1	45	-1.0	-48.50	383.99	6.30	-42.20
COC1=CC(C(F)(F)F)=NC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234011	0	41	-1.0	-49.20	367.46	3.53	-45.67
COC1=CC(C(F)(F)F)=NC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234011	1	41	-1.0	-49.24	367.40	3.50	-45.74
COC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234012	0	41	-1.0	-42.86	346.04	2.83	-40.03
COC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234012	1	41	-1.0	-42.85	345.98	2.82	-40.03
COC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234013	0	38	-1.0	-52.72	332.21	2.03	-50.69
COC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234013	1	38	-1.0	-52.68	332.15	2.01	-50.67
COC1=CC(C(F)(F)F)=NC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020234014	0	41	-1.0	-47.02	376.64	2.06	-44.96
COC1=CC(C(F)(F)F)=NC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020234014	1	41	-1.0	-47.02	376.58	2.05	-44.97
COC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234015	0	38	-1.0	-43.74	333.72	2.06	-41.68
COC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234015	1	38	-1.0	-43.69	333.65	2.05	-41.64
COC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234016	0	44	-1.0	-50.18	354.41	3.89	-46.29
COC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234016	1	44	-1.0	-50.20	354.37	3.88	-46.32
CC1=NC(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020234017	0	44	-1.0	-44.44	382.08	7.08	-37.36
CC1=NC(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020234017	1	44	-1.0	-44.39	382.03	7.05	-37.34
CC1=NC(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020234018	0	44	-1.0	-45.86	363.62	6.65	-39.21
CC1=NC(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020234018	1	44	-1.0	-45.85	363.56	6.64	-39.21
CC1=NC(C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL300020234019	0	41	-1.0	-58.22	348.61	5.68	-52.54
CC1=NC(C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL300020234019	1	41	-1.0	-58.20	348.55	5.66	-52.54
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=CSC(C)=N1)C1=NN=N[N-]1	REAL300020234020	0	44	-1.0	-50.57	392.56	5.70	-44.87
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=CSC(C)=N1)C1=N[N-]N=N1	REAL300020234020	1	44	-1.0	-50.53	392.51	5.68	-44.85
CC1=NC(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020234021	0	41	-1.0	-46.89	350.00	5.73	-41.16
CC1=NC(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020234021	1	41	-1.0	-46.92	349.93	5.73	-41.19
CC1=NC(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020234022	0	47	-1.0	-46.91	376.99	6.72	-40.19
CC1=NC(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020234022	1	47	-1.0	-46.89	376.95	6.71	-40.18
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C(F)(F)F	REAL300020234023	0	42	-1.0	-53.98	370.18	5.12	-48.86
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C(F)(F)F	REAL300020234023	1	42	-1.0	-53.98	370.24	5.15	-48.83
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C(F)(F)F	REAL300020234024	0	42	-1.0	-43.86	350.99	4.67	-39.19
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C(F)(F)F	REAL300020234024	1	42	-1.0	-43.88	351.04	4.69	-39.19
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020234025	0	39	-1.0	-53.19	335.43	3.79	-49.40
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020234025	1	39	-1.0	-53.19	335.49	3.80	-49.39
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020234026	0	42	-1.0	-45.57	378.95	3.75	-41.82
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020234026	1	42	-1.0	-45.59	379.01	3.77	-41.82
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020234027	0	39	-1.0	-43.87	336.81	3.84	-40.03
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020234027	1	39	-1.0	-43.89	336.88	3.85	-40.04
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020234028	0	45	-1.0	-48.02	359.08	5.57	-42.45
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020234028	1	45	-1.0	-47.97	359.13	5.58	-42.39
COC(=O)C1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)OCO2	REAL300020234029	0	44	-1.0	-43.46	378.85	4.43	-39.03
COC(=O)C1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)OCO2	REAL300020234029	1	44	-1.0	-43.46	378.79	4.40	-39.06
COC(=O)C1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)CC1)OCO2	REAL300020234030	0	44	-1.0	-44.72	360.02	3.99	-40.73
COC(=O)C1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)CC1)OCO2	REAL300020234030	1	44	-1.0	-44.71	360.07	4.00	-40.71
COC(=O)C1=CC2=C(C=C1NC(=O)N1CCCC1C1=N[N-]N=N1)OCO2	REAL300020234031	0	41	-1.0	-55.42	344.75	3.08	-52.34
COC(=O)C1=CC2=C(C=C1NC(=O)N1CCCC1C1=NN=N[N-]1)OCO2	REAL300020234031	1	41	-1.0	-55.44	344.81	3.11	-52.33
COC(=O)C1=CC2=C(C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)OCO2	REAL300020234032	0	44	-1.0	-48.16	388.39	3.05	-45.11
COC(=O)C1=CC2=C(C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)OCO2	REAL300020234032	1	44	-1.0	-48.18	388.45	3.07	-45.11
COC(=O)C1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)C1)OCO2	REAL300020234033	0	41	-1.0	-43.83	346.09	3.10	-40.73
COC(=O)C1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020234033	1	41	-1.0	-43.85	346.16	3.12	-40.73
COC(=O)C1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1)OCO2	REAL300020234034	0	47	-1.0	-50.86	367.66	4.92	-45.94
COC(=O)C1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1)OCO2	REAL300020234034	1	47	-1.0	-50.84	367.72	4.93	-45.91
CCC(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020234035	0	50	-1.0	-48.70	393.23	7.63	-41.07
CCC(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020234035	1	50	-1.0	-48.67	393.17	7.60	-41.07
CCC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020234036	0	50	-1.0	-44.05	374.55	7.07	-36.98
CCC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020234036	1	50	-1.0	-44.05	374.61	7.09	-36.96
CCC(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020234037	0	47	-1.0	-53.17	359.14	6.15	-47.02
CCC(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020234037	1	47	-1.0	-53.20	359.20	6.17	-47.03
CCC(C)(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020234038	0	50	-1.0	-48.53	402.66	6.11	-42.42
CCC(C)(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020234038	1	50	-1.0	-48.54	402.72	6.13	-42.41
CCC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020234039	0	47	-1.0	-43.85	360.51	6.21	-37.64
CCC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020234039	1	47	-1.0	-43.86	360.58	6.21	-37.65
CCC(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020234040	0	53	-1.0	-41.72	386.97	7.25	-34.47
CCC(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020234040	1	53	-1.0	-41.74	387.02	7.25	-34.49
CN1C(=O)CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020234041	0	43	-1.0	-51.90	366.16	5.19	-46.71
CN1C(=O)CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020234041	1	43	-1.0	-51.91	366.10	5.17	-46.74
CN1C(=O)CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020234042	0	43	-1.0	-46.39	347.02	4.70	-41.69
CN1C(=O)CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020234042	1	43	-1.0	-46.40	347.07	4.71	-41.69
CN1C(=O)CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020234043	0	40	-1.0	-57.97	331.82	3.87	-54.10
CN1C(=O)CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020234043	1	40	-1.0	-57.95	331.87	3.89	-54.06
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CC(=O)N2C)C1=N[N-]N=N1	REAL300020234044	0	43	-1.0	-48.94	375.16	3.76	-45.18
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CC(=O)N2C)C1=NN=N[N-]1	REAL300020234044	1	43	-1.0	-48.96	375.22	3.78	-45.18
CN1C(=O)CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020234045	0	40	-1.0	-47.24	333.19	3.92	-43.32
CN1C(=O)CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020234045	1	40	-1.0	-47.29	333.26	3.92	-43.37
CN1C(=O)CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020234046	0	46	-1.0	-51.17	355.31	5.74	-45.43
CN1C(=O)CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020234046	1	46	-1.0	-51.17	355.37	5.75	-45.42
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)C([N+](=O)[O-])=C1	REAL300020234047	0	46	-1.0	-46.71	382.31	6.46	-40.25
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)C([N+](=O)[O-])=C1	REAL300020234047	1	46	-1.0	-46.71	382.37	6.47	-40.24
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(C)C([N+](=O)[O-])=C1	REAL300020234048	0	43	-1.0	-54.71	364.96	5.44	-49.27
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(C)C([N+](=O)[O-])=C1	REAL300020234048	1	43	-1.0	-54.73	365.02	5.47	-49.26
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)C([N+](=O)[O-])=C1	REAL300020234049	0	43	-1.0	-46.71	368.51	5.61	-41.10
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)C([N+](=O)[O-])=C1	REAL300020234049	1	43	-1.0	-46.77	368.58	5.61	-41.16
CC(C)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC=C1	REAL300020234050	0	51	-1.0	-47.19	393.21	7.39	-39.80
CC(C)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC=C1	REAL300020234050	1	51	-1.0	-47.18	393.26	7.41	-39.77
CC(C)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020234051	0	48	-1.0	-59.45	377.74	6.49	-52.96
CC(C)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020234051	1	48	-1.0	-59.44	377.80	6.52	-52.92
CC(C)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020234052	0	48	-1.0	-47.78	380.69	6.59	-41.19
CC(C)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020234052	1	48	-1.0	-47.79	380.76	6.60	-41.19
CC(C)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020234053	0	54	-1.0	-56.71	401.76	8.40	-48.31
CC(C)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020234053	1	54	-1.0	-56.69	401.80	8.41	-48.28
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020234054	0	45	-1.0	-53.13	376.01	1.98	-51.15
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020234054	1	45	-1.0	-53.08	375.95	1.97	-51.11
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL300020234055	0	42	-1.0	-64.43	360.32	1.06	-63.37
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL300020234055	1	42	-1.0	-64.44	360.26	1.04	-63.40
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020234056	0	42	-1.0	-53.37	361.85	1.12	-52.25
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020234056	1	42	-1.0	-53.36	361.78	1.10	-52.26
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020234057	0	48	-1.0	-60.13	384.03	2.83	-57.30
CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020234057	1	48	-1.0	-60.09	383.98	2.82	-57.27
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234058	0	47	-1.0	-47.35	390.35	7.34	-40.01
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234058	1	47	-1.0	-47.29	390.29	7.32	-39.97
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234059	0	47	-1.0	-49.37	371.81	6.89	-42.48
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234059	1	47	-1.0	-49.40	371.76	6.87	-42.53
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234060	0	44	-1.0	-66.32	356.50	5.96	-60.36
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234060	1	44	-1.0	-66.27	356.44	5.95	-60.32
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CN=C2)=CC=C1C)C1=NN=N[N-]1	REAL300020234061	0	47	-1.0	-57.59	399.05	5.85	-51.74
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CN=C2)=CC=C1C)C1=N[N-]N=N1	REAL300020234061	1	47	-1.0	-57.60	398.99	5.84	-51.76
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234062	0	44	-1.0	-50.69	356.92	5.97	-44.72
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234062	1	44	-1.0	-50.69	356.84	5.95	-44.74
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234063	0	50	-1.0	-55.78	378.48	7.66	-48.12
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234063	1	50	-1.0	-55.71	378.42	7.64	-48.07
CC1=CC=C(C2=CC=C(C)C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)O1	REAL300020234064	0	48	-1.0	-48.08	402.79	8.22	-39.86
CC1=CC=C(C2=CC=C(C)C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)O1	REAL300020234064	1	48	-1.0	-48.07	402.73	8.20	-39.87
CC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)O1	REAL300020234065	0	48	-1.0	-50.68	382.92	7.70	-42.98
CC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)O1	REAL300020234065	1	48	-1.0	-50.69	382.98	7.72	-42.97
CC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)O1	REAL300020234066	0	45	-1.0	-66.20	368.85	6.82	-59.38
CC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)O1	REAL300020234066	1	45	-1.0	-66.27	368.91	6.83	-59.44
CSCC[C@H](NC(=O)NC1=CC(C2=CC=C(C)O2)=CC=C1C)C1=N[N-]N=N1	REAL300020234067	0	48	-1.0	-57.68	411.40	6.71	-50.97
CSCC[C@H](NC(=O)NC1=CC(C2=CC=C(C)O2)=CC=C1C)C1=NN=N[N-]1	REAL300020234067	1	48	-1.0	-57.67	411.46	6.72	-50.95
CC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020234068	0	45	-1.0	-51.46	369.24	6.80	-44.66
CC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020234068	1	45	-1.0	-51.46	369.31	6.81	-44.65
CC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)O1	REAL300020234069	0	51	-1.0	-46.42	393.00	7.86	-38.56
CC1=CC=C(C2=CC=C(C)C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)O1	REAL300020234069	1	51	-1.0	-46.43	393.04	7.88	-38.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Br)=CC=N1	REAL300020234070	0	34	-1.0	-43.61	320.47	5.14	-38.47
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Br)=CC=N1	REAL300020234070	1	34	-1.0	-43.60	320.41	5.12	-38.48
O=C(NC1=CC(Br)=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234071	0	34	-1.0	-42.60	298.78	4.00	-38.60
O=C(NC1=CC(Br)=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234071	1	34	-1.0	-42.56	298.72	3.98	-38.58
O=C(NC1=CC(Br)=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020234072	0	31	-1.0	-55.53	286.18	3.72	-51.81
O=C(NC1=CC(Br)=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020234072	1	31	-1.0	-55.49	286.13	3.69	-51.80
CSCC[C@H](NC(=O)NC1=CC(Br)=CC=N1)C1=NN=N[N-]1	REAL300020234073	0	34	-1.0	-48.54	329.70	3.68	-44.86
CSCC[C@H](NC(=O)NC1=CC(Br)=CC=N1)C1=N[N-]N=N1	REAL300020234073	1	34	-1.0	-48.57	329.64	3.67	-44.90
O=C(NC1=CC(Br)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234074	0	31	-1.0	-45.86	287.55	3.78	-42.08
O=C(NC1=CC(Br)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234074	1	31	-1.0	-45.89	287.48	3.76	-42.13
O=C(NC1=CC(Br)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234075	0	37	-1.0	-50.49	310.11	5.46	-45.03
O=C(NC1=CC(Br)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234075	1	37	-1.0	-50.51	310.06	5.45	-45.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1(C(F)(F)F)CCC1	REAL300020234076	0	38	-1.0	-42.88	327.19	4.11	-38.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1(C(F)(F)F)CCC1	REAL300020234076	1	38	-1.0	-42.84	327.13	4.09	-38.75
O=C(NC1(C(F)(F)F)CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234077	0	38	-1.0	-45.27	308.35	3.75	-41.52
O=C(NC1(C(F)(F)F)CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234077	1	38	-1.0	-45.29	308.41	3.76	-41.53
O=C(NC1(C(F)(F)F)CCC1)N1CCCC1C1=N[N-]N=N1	REAL300020234078	0	35	-1.0	-53.49	292.58	2.68	-50.81
O=C(NC1(C(F)(F)F)CCC1)N1CCCC1C1=NN=N[N-]1	REAL300020234078	1	35	-1.0	-53.52	292.64	2.71	-50.81
CSCC[C@H](NC(=O)NC1(C(F)(F)F)CCC1)C1=N[N-]N=N1	REAL300020234079	0	38	-1.0	-49.92	336.59	2.77	-47.15
CSCC[C@H](NC(=O)NC1(C(F)(F)F)CCC1)C1=NN=N[N-]1	REAL300020234079	1	38	-1.0	-49.93	336.65	2.79	-47.14
O=C(NC1(C(F)(F)F)CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234080	0	35	-1.0	-44.42	294.39	2.88	-41.54
O=C(NC1(C(F)(F)F)CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234080	1	35	-1.0	-44.44	294.46	2.88	-41.56
O=C(NC1(C(F)(F)F)CCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234081	0	41	-1.0	-52.83	313.34	4.67	-48.16
O=C(NC1(C(F)(F)F)CCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234081	1	41	-1.0	-52.87	313.37	4.69	-48.18
O=C(NC1=CC=CC(C2=NC=C3CCCCN32)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234082	0	52	-1.0	-55.23	401.52	7.81	-47.42
O=C(NC1=CC=CC(C2=NC=C3CCCCN32)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234082	1	52	-1.0	-55.27	401.58	7.83	-47.44
O=C(NC1=CC=CC(C2=NC=C3CCCCN32)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234083	0	49	-1.0	-74.30	386.24	6.88	-67.42
O=C(NC1=CC=CC(C2=NC=C3CCCCN32)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234083	1	49	-1.0	-74.32	386.30	6.90	-67.42
O=C(NC1=CC=CC(C2=NC=C3CCCCN32)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234084	0	49	-1.0	-58.42	387.52	6.91	-51.51
O=C(NC1=CC=CC(C2=NC=C3CCCCN32)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234084	1	49	-1.0	-58.42	387.59	6.93	-51.49
CC1(C2=NC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)CC1	REAL300020234085	0	43	-1.0	-54.85	365.89	6.59	-48.26
CC1(C2=NC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)CC1	REAL300020234085	1	43	-1.0	-54.90	365.84	6.56	-48.34
CC1(C2=NC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)CC1	REAL300020234086	0	43	-1.0	-41.83	343.91	5.48	-36.35
CC1(C2=NC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)CC1	REAL300020234086	1	43	-1.0	-41.80	343.86	5.47	-36.33
CC1(C2=NC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=N2)CC1	REAL300020234087	0	40	-1.0	-60.45	331.59	5.15	-55.30
CC1(C2=NC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=N2)CC1	REAL300020234087	1	40	-1.0	-60.47	331.53	5.13	-55.34
CSCC[C@H](NC(=O)NC1=CC=NC(C2(C)CC2)=N1)C1=NN=N[N-]1	REAL300020234088	0	43	-1.0	-52.74	375.11	5.13	-47.61
CSCC[C@H](NC(=O)NC1=CC=NC(C2(C)CC2)=N1)C1=N[N-]N=N1	REAL300020234088	1	43	-1.0	-52.72	375.05	5.12	-47.60
CC1(C2=NC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)CC1	REAL300020234089	0	40	-1.0	-49.51	332.96	5.22	-44.29
CC1(C2=NC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)CC1	REAL300020234089	1	40	-1.0	-49.50	332.89	5.21	-44.29
CC1(C2=NC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)CC1	REAL300020234090	0	46	-1.0	-45.70	359.78	6.08	-39.62
CC1(C2=NC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)CC1	REAL300020234090	1	46	-1.0	-45.71	359.74	6.06	-39.65
CN1N=C(C2CCCOC2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234091	0	49	-1.0	-43.73	397.84	4.84	-38.89
CN1N=C(C2CCCOC2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234091	1	49	-1.0	-43.73	397.90	4.86	-38.87
CN1N=C(C2CCCOC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234092	0	49	-1.0	-44.95	378.66	4.38	-40.57
CN1N=C(C2CCCOC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234092	1	49	-1.0	-44.99	378.72	4.39	-40.60
CN1N=C(C2CCCOC2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234093	0	46	-1.0	-54.87	363.24	3.47	-51.40
CN1N=C(C2CCCOC2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234093	1	46	-1.0	-54.86	363.30	3.49	-51.37
CSCC[C@H](NC(=O)NC1=CC(C2CCCOC2)=NN1C)C1=N[N-]N=N1	REAL300020234094	0	49	-1.0	-47.77	406.83	3.43	-44.34
CSCC[C@H](NC(=O)NC1=CC(C2CCCOC2)=NN1C)C1=NN=N[N-]1	REAL300020234094	1	49	-1.0	-47.75	406.89	3.45	-44.30
CN1N=C(C2CCCOC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234095	0	46	-1.0	-45.28	364.70	3.53	-41.75
CN1N=C(C2CCCOC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234095	1	46	-1.0	-45.30	364.78	3.53	-41.77
CN1N=C(C2CCCOC2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234096	0	52	-1.0	-52.15	386.69	5.27	-46.88
CN1N=C(C2CCCOC2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234096	1	52	-1.0	-52.18	386.73	5.27	-46.91
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(N2C=CC=N2)=C1	REAL300020234097	0	46	-1.0	-53.66	390.72	5.33	-48.33
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(N2C=CC=N2)=C1	REAL300020234097	1	46	-1.0	-53.62	390.67	5.31	-48.31
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(N2C=CC=N2)=C1	REAL300020234098	0	46	-1.0	-44.80	370.68	4.86	-39.94
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(N2C=CC=N2)=C1	REAL300020234098	1	46	-1.0	-44.81	370.62	4.85	-39.96
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(N2C=CC=N2)=C1	REAL300020234099	0	43	-1.0	-67.04	356.40	3.91	-63.13
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(N2C=CC=N2)=C1	REAL300020234099	1	43	-1.0	-67.04	356.34	3.89	-63.15
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(N2C=CC=N2)=C1	REAL300020234100	0	46	-1.0	-59.41	400.24	3.84	-55.57
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(N2C=CC=N2)=C1	REAL300020234100	1	46	-1.0	-59.42	400.18	3.83	-55.59
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(N2C=CC=N2)=C1	REAL300020234101	0	43	-1.0	-53.02	358.07	3.93	-49.09
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(N2C=CC=N2)=C1	REAL300020234101	1	43	-1.0	-53.00	358.00	3.92	-49.08
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(N2C=CC=N2)=C1	REAL300020234102	0	49	-1.0	-48.32	386.01	5.04	-43.28
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(N2C=CC=N2)=C1	REAL300020234102	1	49	-1.0	-48.35	385.97	5.03	-43.32
CC1=C(C2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NO2)C=CO1	REAL300020234103	0	41	-1.0	-42.38	361.89	5.84	-36.54
CC1=C(C2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NO2)C=CO1	REAL300020234103	1	41	-1.0	-42.39	361.83	5.81	-36.58
CC1=C(C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=NO2)C=CO1	REAL300020234104	0	41	-1.0	-44.08	342.67	5.35	-38.73
CC1=C(C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=NO2)C=CO1	REAL300020234104	1	41	-1.0	-44.12	342.61	5.34	-38.78
CC1=C(C2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=NO2)C=CO1	REAL300020234105	0	38	-1.0	-52.15	327.26	4.45	-47.70
CC1=C(C2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=NO2)C=CO1	REAL300020234105	1	38	-1.0	-52.13	327.20	4.42	-47.71
CSCC[C@H](NC(=O)NC1=NOC(C2=C(C)OC=C2)=C1)C1=NN=N[N-]1	REAL300020234106	0	41	-1.0	-46.03	370.87	4.41	-41.62
CSCC[C@H](NC(=O)NC1=NOC(C2=C(C)OC=C2)=C1)C1=N[N-]N=N1	REAL300020234106	1	41	-1.0	-46.00	370.81	4.40	-41.60
CC1=C(C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=NO2)C=CO1	REAL300020234107	0	38	-1.0	-43.10	328.74	4.50	-38.60
CC1=C(C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=NO2)C=CO1	REAL300020234107	1	38	-1.0	-43.12	328.66	4.49	-38.63
CC1=C(C2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=NO2)C=CO1	REAL300020234108	0	44	-1.0	-48.87	350.85	6.22	-42.65
CC1=C(C2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=NO2)C=CO1	REAL300020234108	1	44	-1.0	-48.90	350.82	6.21	-42.69
CN1N=C(C2CCCO2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234109	0	46	-1.0	-46.18	381.50	4.38	-41.80
CN1N=C(C2CCCO2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234109	1	46	-1.0	-46.19	381.44	4.36	-41.83
CN1N=C(C2CCCO2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234110	0	46	-1.0	-48.10	362.24	3.87	-44.23
CN1N=C(C2CCCO2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234110	1	46	-1.0	-48.09	362.30	3.89	-44.20
CN1N=C(C2CCCO2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234111	0	43	-1.0	-59.84	346.82	2.99	-56.85
CN1N=C(C2CCCO2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234111	1	43	-1.0	-59.87	346.88	3.00	-56.87
CSCC[C@H](NC(=O)NC1=CC(C2CCCO2)=NN1C)C1=N[N-]N=N1	REAL300020234112	0	46	-1.0	-51.69	390.41	2.95	-48.74
CSCC[C@H](NC(=O)NC1=CC(C2CCCO2)=NN1C)C1=NN=N[N-]1	REAL300020234112	1	46	-1.0	-51.69	390.47	2.97	-48.72
CN1N=C(C2CCCO2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234113	0	43	-1.0	-48.55	348.28	3.04	-45.51
CN1N=C(C2CCCO2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234113	1	43	-1.0	-48.57	348.35	3.05	-45.52
CN1N=C(C2CCCO2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234114	0	49	-1.0	-56.99	370.27	4.76	-52.23
CN1N=C(C2CCCO2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234114	1	49	-1.0	-57.00	370.31	4.78	-52.22
CCNC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020234115	0	50	-1.0	-48.40	411.43	4.27	-44.13
CCNC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020234115	1	50	-1.0	-48.37	411.38	4.25	-44.12
CCNC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020234116	0	50	-1.0	-48.65	389.06	3.69	-44.96
CCNC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020234116	1	50	-1.0	-48.68	389.12	3.71	-44.97
CCNC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020234117	0	47	-1.0	-62.48	375.93	2.86	-59.62
CCNC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020234117	1	47	-1.0	-62.48	375.99	2.88	-59.60
CCNC(=O)NC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020234118	0	50	-1.0	-53.97	419.92	2.81	-51.16
CCNC(=O)NC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020234118	1	50	-1.0	-53.99	419.98	2.83	-51.16
CCNC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020234119	0	47	-1.0	-50.59	377.49	2.90	-47.69
CCNC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020234119	1	47	-1.0	-50.59	377.57	2.92	-47.67
CCNC(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020234120	0	53	-1.0	-57.89	398.62	4.63	-53.26
CCNC(=O)NC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020234120	1	53	-1.0	-57.93	398.67	4.63	-53.30
O=C(NC1=CC=C(N2CCCCC2)C2=NC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300020234121	0	52	-1.0	-55.51	403.12	5.54	-49.97
O=C(NC1=CC=C(N2CCCCC2)C2=NC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300020234121	1	52	-1.0	-55.45	403.07	5.51	-49.94
O=C(NC1=CC=C(N2CCCCC2)C2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020234122	0	52	-1.0	-46.24	405.49	5.61	-40.63
O=C(NC1=CC=C(N2CCCCC2)C2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020234122	1	52	-1.0	-46.26	405.41	5.59	-40.67
O=C([N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020234123	0	36	-2.0	-116.66	349.40	4.09	-112.57
O=C([N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020234123	1	36	-2.0	-116.69	349.46	4.12	-112.57
O=C([N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234124	0	36	-2.0	-94.79	350.14	4.15	-90.64
O=C([N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234124	1	36	-2.0	-94.79	350.22	4.17	-90.62
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234125	0	43	-1.0	-54.05	366.22	6.83	-47.22
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234125	1	43	-1.0	-54.06	366.17	6.81	-47.25
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234126	0	43	-1.0	-43.61	344.79	6.29	-37.32
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234126	1	43	-1.0	-43.62	344.85	6.31	-37.31
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234127	0	40	-1.0	-53.42	331.50	5.42	-48.00
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234127	1	40	-1.0	-53.45	331.56	5.44	-48.01
CSCC[C@H](NC(=O)NC1=CC(C)=C([N+](=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300020234128	0	43	-1.0	-46.15	374.88	5.43	-40.72
CSCC[C@H](NC(=O)NC1=CC(C)=C([N+](=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300020234128	1	43	-1.0	-46.16	374.94	5.44	-40.72
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234129	0	40	-1.0	-43.78	332.71	5.53	-38.25
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234129	1	40	-1.0	-43.78	332.79	5.54	-38.24
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234130	0	46	-1.0	-47.99	356.90	7.32	-40.67
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234130	1	46	-1.0	-48.01	356.95	7.32	-40.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=C(F)C(Cl)=C1	REAL300020234131	0	35	-1.0	-40.63	342.02	5.80	-34.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=C(F)C(Cl)=C1	REAL300020234131	1	35	-1.0	-40.61	342.08	5.82	-34.79
O=C(NC1=CC(Cl)=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234132	0	35	-1.0	-42.03	322.83	5.35	-36.68
O=C(NC1=CC(Cl)=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234132	1	35	-1.0	-42.06	322.89	5.36	-36.70
O=C(NC1=CC(Cl)=C(F)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234133	0	32	-1.0	-49.40	307.10	4.46	-44.94
O=C(NC1=CC(Cl)=C(F)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234133	1	32	-1.0	-49.43	307.16	4.48	-44.95
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020234134	0	35	-1.0	-44.53	350.78	4.42	-40.11
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020234134	1	35	-1.0	-44.54	350.84	4.44	-40.10
O=C(NC1=CC(Cl)=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234135	0	32	-1.0	-41.96	308.62	4.51	-37.45
O=C(NC1=CC(Cl)=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234135	1	32	-1.0	-41.97	308.69	4.52	-37.45
O=C(NC1=CC(Cl)=C(F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234136	0	38	-1.0	-46.86	330.77	6.35	-40.51
O=C(NC1=CC(Cl)=C(F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234136	1	38	-1.0	-46.83	330.82	6.36	-40.47
CCOC(=O)C1=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020234137	0	39	-2.0	-88.11	361.01	2.79	-85.32
CCOC(=O)C1=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020234137	1	39	-2.0	-88.11	360.95	2.76	-85.35
CCOC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020234137	1	40	-1.0	-42.08	361.64	3.69	-38.39
CCOC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020234137	1	40	-1.0	-42.05	361.58	3.67	-38.38
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=N1	REAL300020234138	0	40	-1.0	-43.32	342.44	3.23	-40.09
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=N1	REAL300020234138	1	40	-1.0	-43.27	342.38	3.22	-40.05
CCOC(=O)C1=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=N1	REAL300020234138	1	39	-2.0	-89.66	344.03	2.67	-86.99
CCOC(=O)C1=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=N1	REAL300020234138	1	39	-2.0	-89.67	343.98	2.65	-87.02
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)SC=N1	REAL300020234139	0	37	-1.0	-48.58	327.00	2.34	-46.24
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)SC=N1	REAL300020234139	1	37	-1.0	-48.61	326.94	2.33	-46.28
CCOC(=O)C1=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)SC=N1	REAL300020234139	1	36	-2.0	-107.21	328.16	1.53	-105.68
CCOC(=O)C1=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)SC=N1	REAL300020234139	1	36	-2.0	-107.17	328.21	1.55	-105.62
CCOC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC=N1	REAL300020234140	0	40	-1.0	-43.83	370.61	2.29	-41.54
CCOC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC=N1	REAL300020234140	1	40	-1.0	-43.84	370.56	2.27	-41.57
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020234141	0	37	-1.0	-41.07	328.49	2.38	-38.69
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020234141	1	37	-1.0	-41.06	328.42	2.37	-38.69
CCOC(=O)C1=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020234141	1	36	-2.0	-88.97	328.98	1.59	-87.38
CCOC(=O)C1=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020234141	1	36	-2.0	-88.97	328.91	1.58	-87.39
CCOC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020234142	0	43	-1.0	-45.37	351.00	4.22	-41.15
CCOC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020234142	1	43	-1.0	-45.36	350.95	4.22	-41.14
CCOC(=O)C1=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020234142	1	42	-2.0	-92.11	356.23	3.34	-88.77
CCOC(=O)C1=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020234142	1	42	-2.0	-92.11	356.17	3.34	-88.77
O=C(NC1=NC=CN1C1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234143	0	42	-1.0	-47.32	363.57	9.30	-38.02
O=C(NC1=NC=CN1C1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234143	1	42	-1.0	-47.32	363.51	9.28	-38.04
O=C(NC1=NC=CN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234144	0	42	-1.0	-49.72	344.40	8.83	-40.89
O=C(NC1=NC=CN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234144	1	42	-1.0	-49.71	344.34	8.82	-40.89
O=C(NC1=NC=CN1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234145	0	39	-1.0	-62.57	328.92	7.91	-54.66
O=C(NC1=NC=CN1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234145	1	39	-1.0	-62.60	328.86	7.90	-54.70
CSCC[C@H](NC(=O)NC1=NC=CN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020234146	0	42	-1.0	-54.15	372.55	7.88	-46.27
CSCC[C@H](NC(=O)NC1=NC=CN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020234146	1	42	-1.0	-54.12	372.49	7.86	-46.26
O=C(NC1=NC=CN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234147	0	39	-1.0	-50.17	330.43	7.96	-42.21
O=C(NC1=NC=CN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234147	1	39	-1.0	-50.18	330.35	7.95	-42.23
O=C(NC1=NC=CN1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234148	0	45	-1.0	-58.94	352.87	9.69	-49.25
O=C(NC1=NC=CN1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234148	1	45	-1.0	-58.94	352.82	9.68	-49.26
COC1=NC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234149	0	38	-1.0	-40.81	329.89	1.63	-39.18
COC1=NC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234149	1	38	-1.0	-40.82	329.83	1.61	-39.21
COC1=NC(Br)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234150	0	35	-1.0	-48.95	315.66	0.75	-48.20
COC1=NC(Br)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234150	1	35	-1.0	-48.93	315.60	0.73	-48.20
COC1=NC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234151	0	35	-1.0	-40.35	317.05	0.80	-39.55
COC1=NC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234151	1	35	-1.0	-40.33	316.97	0.79	-39.54
COC1=NC(Br)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234152	0	41	-1.0	-40.45	343.70	1.86	-38.59
COC1=NC(Br)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234152	1	41	-1.0	-40.39	343.67	1.87	-38.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F	REAL300020234153	0	41	-1.0	-44.77	367.29	6.07	-38.70
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F	REAL300020234153	1	41	-1.0	-44.75	367.35	6.09	-38.66
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234154	0	41	-1.0	-43.61	348.62	5.54	-38.07
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234154	1	41	-1.0	-43.58	348.68	5.56	-38.02
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020234155	0	38	-1.0	-53.00	332.93	4.65	-48.35
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020234155	1	38	-1.0	-52.99	332.99	4.68	-48.31
CSCC[C@H](NC(=O)N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300020234156	0	41	-1.0	-44.29	376.54	4.61	-39.68
CSCC[C@H](NC(=O)N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300020234156	1	41	-1.0	-44.30	376.60	4.63	-39.67
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020234157	0	38	-1.0	-43.27	334.40	4.72	-38.55
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020234157	1	38	-1.0	-43.26	334.48	4.73	-38.53
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020234158	0	44	-1.0	-47.46	357.21	6.55	-40.91
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020234158	1	44	-1.0	-47.49	357.26	6.55	-40.94
CC(C)CCN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(C)C	REAL300020234159	0	56	-1.0	-44.26	440.02	7.50	-36.76
CC(C)CCN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(C)C	REAL300020234159	1	56	-1.0	-44.24	440.07	7.52	-36.72
CC(C)CCN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(C)C	REAL300020234160	0	56	-1.0	-45.84	420.81	7.02	-38.82
CC(C)CCN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(C)C	REAL300020234160	1	56	-1.0	-45.85	420.86	7.04	-38.81
CC(C)CCN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(C)C	REAL300020234161	0	53	-1.0	-58.44	405.38	6.12	-52.32
CC(C)CCN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(C)C	REAL300020234161	1	53	-1.0	-58.46	405.43	6.15	-52.31
CSCC[C@H](NC(=O)NC1=C(C(C)C)N(CCC(C)C)N=C1)C1=N[N-]N=N1	REAL300020234162	0	56	-1.0	-50.16	448.98	6.09	-44.07
CSCC[C@H](NC(=O)NC1=C(C(C)C)N(CCC(C)C)N=C1)C1=NN=N[N-]1	REAL300020234162	1	56	-1.0	-50.14	449.04	6.11	-44.03
CC(C)CCN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(C)C	REAL300020234163	0	53	-1.0	-46.60	406.86	6.18	-40.42
CC(C)CCN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(C)C	REAL300020234163	1	53	-1.0	-46.64	406.93	6.19	-40.45
CC(C)CCN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(C)C	REAL300020234164	0	59	-1.0	-55.83	429.39	8.03	-47.80
CC(C)CCN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(C)C	REAL300020234164	1	59	-1.0	-55.82	429.44	8.03	-47.79
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C)=C1Br	REAL300020234165	0	41	-1.0	-42.81	341.72	6.04	-36.77
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C)=C1Br	REAL300020234165	1	41	-1.0	-42.83	341.78	6.06	-36.77
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1Br	REAL300020234166	0	38	-1.0	-51.70	326.41	5.13	-46.57
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1Br	REAL300020234166	1	38	-1.0	-51.69	326.47	5.14	-46.55
CSCC[C@H](NC(=O)NC1=CC(C)=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL300020234167	0	41	-1.0	-44.99	369.95	5.09	-39.90
CSCC[C@H](NC(=O)NC1=CC(C)=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL300020234167	1	41	-1.0	-44.97	370.00	5.10	-39.87
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C)=C1Br	REAL300020234168	0	38	-1.0	-43.11	327.78	5.18	-37.93
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1Br	REAL300020234168	1	38	-1.0	-43.14	327.85	5.19	-37.95
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1Br	REAL300020234169	0	44	-1.0	-39.54	356.19	6.22	-33.32
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1Br	REAL300020234169	1	44	-1.0	-39.61	356.24	6.24	-33.37
COC1=CC=C([C@@H](NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)(F)F)C=C1F	REAL300020234170	0	42	-1.0	-54.64	362.22	3.96	-50.68
COC1=CC=C([C@@H](NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)(F)F)C=C1F	REAL300020234170	1	42	-1.0	-54.66	362.28	3.98	-50.68
COC1=CC=C([C@@H](NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)(F)F)C=C1F	REAL300020234171	0	42	-1.0	-44.97	363.67	4.03	-40.94
COC1=CC=C([C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)(F)F)C=C1F	REAL300020234171	1	42	-1.0	-44.95	363.74	4.04	-40.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)N[C@H](C1=CC=C(F)C=C1)C(F)(F)F	REAL300020234172	0	41	-1.0	-41.86	367.53	6.03	-35.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)N[C@H](C1=CC=C(F)C=C1)C(F)(F)F	REAL300020234172	1	41	-1.0	-41.88	367.59	6.05	-35.83
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234173	0	41	-1.0	-43.55	348.62	5.56	-37.99
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234173	1	41	-1.0	-43.61	348.68	5.57	-38.04
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020234174	0	38	-1.0	-53.03	332.89	4.65	-48.38
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020234174	1	38	-1.0	-52.99	332.95	4.67	-48.32
CSCC[C@H](NC(=O)N[C@H](C1=CC=C(F)C=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300020234175	0	41	-1.0	-46.94	376.53	4.61	-42.33
CSCC[C@H](NC(=O)N[C@H](C1=CC=C(F)C=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300020234175	1	41	-1.0	-46.95	376.59	4.63	-42.32
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020234176	0	38	-1.0	-42.92	334.36	4.72	-38.20
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020234176	1	38	-1.0	-42.95	334.44	4.73	-38.22
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020234177	0	44	-1.0	-46.45	356.53	6.46	-39.99
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020234177	1	44	-1.0	-46.52	356.58	6.48	-40.04
O=C(NC1=CC=CC(Cl)=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234178	0	35	-1.0	-40.19	317.73	5.50	-34.69
O=C(NC1=CC=CC(Cl)=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234178	1	35	-1.0	-40.23	317.78	5.52	-34.71
O=C(NC1=CC=CC(Cl)=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020234179	0	32	-1.0	-48.37	301.52	4.60	-43.77
O=C(NC1=CC=CC(Cl)=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020234179	1	32	-1.0	-48.42	301.58	4.61	-43.81
O=C(NC1=CC=CC(Cl)=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020234180	0	32	-1.0	-40.28	303.81	4.65	-35.63
O=C(NC1=CC=CC(Cl)=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020234180	1	32	-1.0	-40.30	303.88	4.66	-35.64
O=C(NC1=CC=CC(Cl)=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020234181	0	38	-1.0	-44.93	325.70	6.39	-38.54
O=C(NC1=CC=CC(Cl)=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020234181	1	38	-1.0	-44.93	325.75	6.40	-38.53
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1Br	REAL300020234182	0	38	-1.0	-51.17	336.46	4.65	-46.52
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1Br	REAL300020234182	1	38	-1.0	-51.14	336.52	4.66	-46.48
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020234183	0	38	-1.0	-43.15	338.74	4.73	-38.42
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020234183	1	38	-1.0	-43.19	338.82	4.74	-38.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2C=CC=C2)=C1	REAL300020234184	0	43	-1.0	-52.50	364.04	7.58	-44.92
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2C=CC=C2)=C1	REAL300020234184	1	43	-1.0	-52.47	363.99	7.55	-44.92
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234185	0	43	-1.0	-43.94	343.68	7.10	-36.84
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234185	1	43	-1.0	-43.99	343.74	7.12	-36.87
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234186	0	40	-1.0	-52.43	329.68	6.15	-46.28
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234186	1	40	-1.0	-52.40	329.74	6.16	-46.24
CSCC[C@H](NC(=O)NC1=CC=CC(N2C=CC=C2)=C1)C1=N[N-]N=N1	REAL300020234187	0	43	-1.0	-46.22	373.18	6.11	-40.11
CSCC[C@H](NC(=O)NC1=CC=CC(N2C=CC=C2)=C1)C1=NN=N[N-]1	REAL300020234187	1	43	-1.0	-46.24	373.24	6.12	-40.12
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234188	0	40	-1.0	-43.65	330.74	6.22	-37.43
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234188	1	40	-1.0	-43.64	330.82	6.24	-37.40
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234189	0	46	-1.0	-42.63	359.39	7.26	-35.37
O=C(NC1=CC=CC(N2C=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234189	1	46	-1.0	-42.64	359.44	7.28	-35.36
CC1(C)CC2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2O1	REAL300020234190	0	46	-1.0	-42.75	379.42	6.02	-36.73
CC1(C)CC2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2O1	REAL300020234190	1	46	-1.0	-42.73	379.37	5.99	-36.74
CC1(C)CC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2O1	REAL300020234191	0	46	-1.0	-43.96	360.10	5.55	-38.41
CC1(C)CC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2O1	REAL300020234191	1	46	-1.0	-43.92	360.15	5.57	-38.35
CC1(C)CC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2O1	REAL300020234192	0	43	-1.0	-55.52	345.77	4.62	-50.90
CC1(C)CC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2O1	REAL300020234192	1	43	-1.0	-55.51	345.83	4.64	-50.87
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OC(C)(C)C2)C1=N[N-]N=N1	REAL300020234193	0	46	-1.0	-48.51	389.33	4.59	-43.92
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OC(C)(C)C2)C1=NN=N[N-]1	REAL300020234193	1	46	-1.0	-48.53	389.39	4.61	-43.92
CC1(C)CC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020234194	0	43	-1.0	-44.58	347.19	4.67	-39.91
CC1(C)CC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020234194	1	43	-1.0	-44.61	347.26	4.68	-39.93
CC1(C)CC2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2O1	REAL300020234195	0	49	-1.0	-50.59	367.85	6.59	-44.00
CC1(C)CC2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2O1	REAL300020234195	1	49	-1.0	-50.57	367.88	6.60	-43.97
O=C(NC1=NC=C(CC2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234196	0	44	-1.0	-48.45	379.21	7.54	-40.91
O=C(NC1=NC=C(CC2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234196	1	44	-1.0	-48.45	379.15	7.52	-40.93
O=C(NC1=NC=C(CC2=CC=CC=C2F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020234197	0	41	-1.0	-59.01	363.75	6.63	-52.38
O=C(NC1=NC=C(CC2=CC=CC=C2F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020234197	1	41	-1.0	-58.98	363.69	6.61	-52.37
O=C(NC1=NC=C(CC2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234198	0	41	-1.0	-48.54	365.23	6.69	-41.85
O=C(NC1=NC=C(CC2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234198	1	41	-1.0	-48.51	365.15	6.67	-41.84
CC1=C(CC2=CC=C(F)C=C2)SC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234199	0	44	-1.0	-60.83	382.18	7.09	-53.74
CC1=C(CC2=CC=C(F)C=C2)SC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020234199	1	44	-1.0	-60.83	382.24	7.09	-53.74
CC1=C(CC2=CC=C(F)C=C2)SC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234200	0	44	-1.0	-50.22	380.33	7.03	-43.19
CC1=C(CC2=CC=C(F)C=C2)SC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020234200	1	44	-1.0	-50.27	380.40	7.04	-43.23
O=C(NC1=NC=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234201	0	44	-1.0	-49.70	380.13	7.57	-42.13
O=C(NC1=NC=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234201	1	44	-1.0	-49.68	380.07	7.55	-42.13
O=C(NC1=NC=C(CC2=CC=C(F)C=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020234202	0	41	-1.0	-60.84	364.70	6.67	-54.17
O=C(NC1=NC=C(CC2=CC=C(F)C=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020234202	1	41	-1.0	-60.82	364.65	6.64	-54.18
O=C(NC1=NC=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234203	0	41	-1.0	-49.88	366.18	6.72	-43.16
O=C(NC1=NC=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234203	1	41	-1.0	-49.83	366.11	6.71	-43.12
CC1=CC=C(C2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)C(C)=C1	REAL300020234204	0	47	-1.0	-47.66	390.00	7.92	-39.74
CC1=CC=C(C2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)C(C)=C1	REAL300020234204	1	47	-1.0	-47.65	389.94	7.91	-39.74
CC1=CC=C(C2=CN=C(NC(=O)N3CCCC3C3=NN=N[N-]3)S2)C(C)=C1	REAL300020234205	0	44	-1.0	-59.19	374.49	7.01	-52.18
CC1=CC=C(C2=CN=C(NC(=O)N3CCCC3C3=N[N-]N=N3)S2)C(C)=C1	REAL300020234205	1	44	-1.0	-59.18	374.44	6.98	-52.20
CC1=CC=C(C2=CN=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)S2)C(C)=C1	REAL300020234205	1	43	-2.0	-119.26	373.06	5.95	-113.31
CC1=CC=C(C2=CN=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)S2)C(C)=C1	REAL300020234205	1	43	-2.0	-119.25	373.12	5.96	-113.29
CC1=CC=C(C2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C(C)=C1	REAL300020234206	0	44	-1.0	-48.13	375.99	7.07	-41.06
CC1=CC=C(C2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C(C)=C1	REAL300020234206	1	44	-1.0	-48.11	375.92	7.06	-41.05
CC1=CC=C(C2=CN=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)S2)C(C)=C1	REAL300020234207	0	50	-1.0	-55.14	398.16	8.77	-46.37
CC1=CC=C(C2=CN=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)S2)C(C)=C1	REAL300020234207	1	50	-1.0	-55.14	398.11	8.76	-46.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(C(F)F)=CC=C1Cl	REAL300020234208	0	38	-1.0	-51.10	349.97	6.28	-44.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(C(F)F)=CC=C1Cl	REAL300020234208	1	38	-1.0	-51.12	349.92	6.26	-44.86
O=C(NC1=CC(C(F)F)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234209	0	38	-1.0	-47.41	333.34	5.84	-41.57
O=C(NC1=CC(C(F)F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234209	1	38	-1.0	-47.47	333.40	5.86	-41.61
O=C(NC1=CC(C(F)F)=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020234210	0	35	-1.0	-50.83	314.75	4.87	-45.96
O=C(NC1=CC(C(F)F)=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020234210	1	35	-1.0	-50.84	314.81	4.89	-45.95
CSCC[C@H](NC(=O)NC1=CC(C(F)F)=CC=C1Cl)C1=N[N-]N=N1	REAL300020234211	0	38	-1.0	-52.50	360.26	4.90	-47.60
CSCC[C@H](NC(=O)NC1=CC(C(F)F)=CC=C1Cl)C1=NN=N[N-]1	REAL300020234211	1	38	-1.0	-52.51	360.31	4.91	-47.60
O=C(NC1=CC(C(F)F)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020234212	0	35	-1.0	-47.48	318.98	5.00	-42.48
O=C(NC1=CC(C(F)F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020234212	1	35	-1.0	-47.48	319.05	5.02	-42.46
O=C(NC1=CC(C(F)F)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020234213	0	41	-1.0	-52.39	340.87	6.74	-45.65
O=C(NC1=CC(C(F)F)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020234213	1	41	-1.0	-52.38	340.93	6.74	-45.64
CN(CC(N)=O)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234214	0	49	-1.0	-54.59	395.81	1.59	-53.00
CN(CC(N)=O)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234214	1	49	-1.0	-54.61	395.87	1.60	-53.01
CN(CC(N)=O)C(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234215	0	46	-1.0	-84.92	378.66	0.67	-84.25
CN(CC(N)=O)C(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234215	1	46	-1.0	-84.96	378.71	0.68	-84.28
CN(CC(N)=O)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234216	0	46	-1.0	-53.35	380.01	0.72	-52.63
CN(CC(N)=O)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234216	1	46	-1.0	-53.32	380.08	0.73	-52.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(F)=C1Cl	REAL300020234217	0	35	-1.0	-39.55	322.61	5.47	-34.08
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(F)=C1Cl	REAL300020234217	1	35	-1.0	-39.52	322.56	5.45	-34.07
O=C(NC1=CC=CC(F)=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234218	0	35	-1.0	-40.51	304.62	4.98	-35.53
O=C(NC1=CC=CC(F)=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234218	1	35	-1.0	-40.53	304.67	5.00	-35.53
O=C(NC1=CC=CC(F)=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020234219	0	32	-1.0	-48.43	288.44	4.07	-44.36
O=C(NC1=CC=CC(F)=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020234219	1	32	-1.0	-48.46	288.50	4.08	-44.38
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1Cl)C1=N[N-]N=N1	REAL300020234220	0	35	-1.0	-42.35	332.84	4.03	-38.32
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1Cl)C1=NN=N[N-]1	REAL300020234220	1	35	-1.0	-42.37	332.90	4.05	-38.32
O=C(NC1=CC=CC(F)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020234221	0	32	-1.0	-40.58	290.70	4.12	-36.46
O=C(NC1=CC=CC(F)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020234221	1	32	-1.0	-40.57	290.77	4.13	-36.44
O=C(NC1=CC=CC(F)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020234222	0	38	-1.0	-45.17	312.56	5.87	-39.30
O=C(NC1=CC=CC(F)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020234222	1	38	-1.0	-45.18	312.63	5.87	-39.31
O=C(NC1=CC=C2N=C(C(F)F)SC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234223	0	40	-1.0	-45.55	350.80	4.73	-40.82
O=C(NC1=CC=C2N=C(C(F)F)SC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234223	1	40	-1.0	-45.55	350.86	4.75	-40.80
O=C(NC1=CC=C2N=C(C(F)F)SC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234224	0	37	-1.0	-59.14	335.23	3.84	-55.30
O=C(NC1=CC=C2N=C(C(F)F)SC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234224	1	37	-1.0	-59.10	335.29	3.85	-55.25
CSCC[C@H](NC(=O)NC1=CC=C2N=C(C(F)F)SC2=C1)C1=N[N-]N=N1	REAL300020234225	0	40	-1.0	-48.55	379.03	3.77	-44.78
CSCC[C@H](NC(=O)NC1=CC=C2N=C(C(F)F)SC2=C1)C1=NN=N[N-]1	REAL300020234225	1	40	-1.0	-48.54	379.08	3.79	-44.75
O=C(NC1=CC=C2N=C(C(F)F)SC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234226	0	37	-1.0	-47.63	336.59	3.89	-43.74
O=C(NC1=CC=C2N=C(C(F)F)SC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234226	1	37	-1.0	-47.66	336.67	3.90	-43.76
O=C(NC1=CC=C2N=C(C(F)F)SC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234227	0	43	-1.0	-40.51	363.19	4.87	-35.64
O=C(NC1=CC=C2N=C(C(F)F)SC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234227	1	43	-1.0	-40.48	363.27	4.89	-35.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2=CC=CC=C2)=C1	REAL300020234228	0	45	-1.0	-53.94	377.38	8.21	-45.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2=CC=CC=C2)=C1	REAL300020234228	1	45	-1.0	-53.95	377.32	8.18	-45.77
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234229	0	45	-1.0	-44.42	357.01	7.73	-36.69
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234229	1	45	-1.0	-44.44	357.06	7.75	-36.69
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234230	0	42	-1.0	-53.82	343.01	6.77	-47.05
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234230	1	42	-1.0	-53.83	343.07	6.78	-47.05
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020234231	0	45	-1.0	-47.30	386.21	6.78	-40.52
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020234231	1	45	-1.0	-47.33	386.27	6.79	-40.54
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234232	0	42	-1.0	-44.61	344.32	6.83	-37.78
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234232	1	42	-1.0	-44.61	344.40	6.85	-37.76
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234233	0	48	-1.0	-43.92	370.73	7.89	-36.03
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234233	1	48	-1.0	-43.97	370.77	7.89	-36.08
CC1=CC(I)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234234	0	35	-1.0	-55.48	317.66	5.16	-50.32
CC1=CC(I)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234234	1	35	-1.0	-55.46	317.72	5.17	-50.29
CC1=CC(I)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234235	0	35	-1.0	-44.21	319.08	5.22	-38.99
CC1=CC(I)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234235	1	35	-1.0	-44.18	319.15	5.22	-38.96
O=C(NC1=CC(F)=C(Br)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234236	0	32	-1.0	-50.44	310.33	4.51	-45.93
O=C(NC1=CC(F)=C(Br)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234236	1	32	-1.0	-50.44	310.39	4.53	-45.91
O=C(NC1=CC(F)=C(Br)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234237	0	32	-1.0	-42.24	311.71	4.57	-37.67
O=C(NC1=CC(F)=C(Br)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234237	1	32	-1.0	-42.21	311.79	4.57	-37.64
CC1=CC=NC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234238	0	40	-1.0	-43.79	335.23	4.51	-39.28
CC1=CC=NC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234238	1	40	-1.0	-43.73	335.18	4.48	-39.25
CC1=CC=NC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234239	0	40	-1.0	-43.90	319.21	4.12	-39.78
CC1=CC=NC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234239	1	40	-1.0	-43.93	319.27	4.14	-39.79
CSCC[C@H](NC(=O)NC1=C(C)C=CN=C1C)C1=N[N-]N=N1	REAL300020234240	0	40	-1.0	-46.49	344.52	2.90	-43.59
CSCC[C@H](NC(=O)NC1=C(C)C=CN=C1C)C1=NN=N[N-]1	REAL300020234240	1	40	-1.0	-46.51	344.57	2.92	-43.59
CC1=CC=NC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234241	0	43	-1.0	-43.38	320.79	3.54	-39.84
CC1=CC=NC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234241	1	43	-1.0	-43.36	320.84	3.55	-39.81
CCOC(=O)C1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1C	REAL300020234242	0	44	-1.0	-47.71	379.36	7.42	-40.29
CCOC(=O)C1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1C	REAL300020234242	1	44	-1.0	-47.67	379.30	7.39	-40.28
CCOC(=O)C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N1C	REAL300020234243	0	44	-1.0	-49.81	360.15	6.92	-42.89
CCOC(=O)C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N1C	REAL300020234243	1	44	-1.0	-49.79	360.09	6.91	-42.88
CCOC(=O)C1=CN=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N1C	REAL300020234244	0	41	-1.0	-60.73	344.73	6.02	-54.71
CCOC(=O)C1=CN=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N1C	REAL300020234244	1	41	-1.0	-60.76	344.67	5.99	-54.77
CCOC(=O)C1=CN=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N1C	REAL300020234245	0	44	-1.0	-53.03	388.34	5.99	-47.04
CCOC(=O)C1=CN=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N1C	REAL300020234245	1	44	-1.0	-53.01	388.28	5.98	-47.03
CCOC(=O)C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N1C	REAL300020234246	0	41	-1.0	-50.31	346.23	6.07	-44.24
CCOC(=O)C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N1C	REAL300020234246	1	41	-1.0	-50.31	346.15	6.06	-44.25
CCOC(=O)C1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N1C	REAL300020234247	0	47	-1.0	-57.37	368.41	7.80	-49.57
CCOC(=O)C1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N1C	REAL300020234247	1	47	-1.0	-57.40	368.36	7.79	-49.61
COC1=CC=NN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234248	0	37	-1.0	-64.12	323.15	2.64	-61.48
COC1=CC=NN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234248	1	37	-1.0	-64.12	323.09	2.62	-61.50
COC1=CC=NN=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234249	0	37	-1.0	-51.71	303.98	2.17	-49.54
COC1=CC=NN=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234249	1	37	-1.0	-51.70	303.93	2.16	-49.54
COC1=CC=NN=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020234250	0	37	-1.0	-56.32	332.13	1.22	-55.10
COC1=CC=NN=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020234250	1	37	-1.0	-56.29	332.08	1.20	-55.09
COC1=CC=NN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234251	0	40	-1.0	-60.08	312.20	3.02	-57.06
COC1=CC=NN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234251	1	40	-1.0	-60.05	312.15	3.04	-57.01
O=C([N-]C1=NSN=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234252	0	29	-2.0	-84.43	280.36	0.91	-83.52
O=C([N-]C1=NSN=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234252	1	29	-2.0	-84.42	280.30	0.89	-83.53
CSCC[C@H](NC(=O)NC1=NSN=C1)C1=NN=N[N-]1	REAL300020234253	0	30	-1.0	-50.15	292.59	0.69	-49.46
CSCC[C@H](NC(=O)NC1=NSN=C1)C1=N[N-]N=N1	REAL300020234253	1	30	-1.0	-50.13	292.54	0.68	-49.45
CSCC[C@H](NC(=O)[N-]C1=NSN=C1)C1=N[N-]N=N1	REAL300020234253	1	29	-2.0	-98.41	289.28	-0.53	-98.94
CSCC[C@H](NC(=O)[N-]C1=NSN=C1)C1=NN=N[N-]1	REAL300020234253	1	29	-2.0	-98.39	289.33	-0.51	-98.90
O=C(NC1=NC2=C(Br)C=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020234254	0	34	-1.0	-50.93	321.35	4.62	-46.31
O=C(NC1=NC2=C(Br)C=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020234254	1	34	-1.0	-50.94	321.29	4.60	-46.34
O=C([N-]C1=NC2=C(Br)C=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020234254	1	33	-2.0	-110.24	319.88	3.57	-106.67
O=C([N-]C1=NC2=C(Br)C=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020234254	1	33	-2.0	-110.25	319.94	3.59	-106.66
O=C(NC1=NC2=C(Br)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234255	0	34	-1.0	-51.48	324.89	5.10	-46.38
O=C(NC1=NC2=C(Br)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234255	1	34	-1.0	-51.53	324.82	5.09	-46.44
O=C([N-]C1=NC2=C(Br)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234255	1	33	-2.0	-96.65	322.78	4.05	-92.60
O=C([N-]C1=NC2=C(Br)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234255	1	33	-2.0	-96.63	322.70	4.05	-92.58
O=C([N-]C1=NC(C2CCOCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234256	0	44	-2.0	-87.01	377.84	3.07	-83.94
O=C([N-]C1=NC(C2CCOCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234256	1	44	-2.0	-86.98	377.89	3.10	-83.88
O=C(NC1=NC(C2CCOCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234256	1	45	-1.0	-40.36	381.10	4.27	-36.09
O=C(NC1=NC(C2CCOCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234256	1	45	-1.0	-40.36	381.15	4.30	-36.06
O=C(NC1=NC(C2CCOCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234257	0	45	-1.0	-41.77	361.90	3.83	-37.94
O=C(NC1=NC(C2CCOCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234257	1	45	-1.0	-41.74	361.96	3.84	-37.90
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234257	1	44	-2.0	-89.24	360.88	2.97	-86.27
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234257	1	44	-2.0	-89.21	360.93	2.99	-86.22
O=C(NC1=NC(C2CCOCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020234258	0	42	-1.0	-48.86	346.47	2.89	-45.97
O=C(NC1=NC(C2CCOCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020234258	1	42	-1.0	-48.85	346.52	2.92	-45.93
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020234258	1	41	-2.0	-109.23	345.06	1.85	-107.38
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020234258	1	41	-2.0	-109.24	345.12	1.87	-107.37
CSCC[C@H](NC(=O)NC1=NC(C2CCOCC2)=CS1)C1=N[N-]N=N1	REAL300020234259	0	45	-1.0	-43.19	390.07	2.87	-40.32
CSCC[C@H](NC(=O)NC1=NC(C2CCOCC2)=CS1)C1=NN=N[N-]1	REAL300020234259	1	45	-1.0	-43.18	390.13	2.88	-40.30
CSCC[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=N[N-]N=N1	REAL300020234259	1	44	-2.0	-100.13	386.83	1.67	-98.46
O=C(NC1=NC(C2CCOCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234260	0	42	-1.0	-40.61	347.93	2.95	-37.66
O=C(NC1=NC(C2CCOCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234260	1	42	-1.0	-40.67	348.00	2.96	-37.71
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234260	1	41	-2.0	-89.31	345.84	1.91	-87.40
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234260	1	41	-2.0	-89.35	345.91	1.92	-87.43
O=C(NC1=NC(C2CCOCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234261	0	48	-1.0	-45.35	370.16	4.68	-40.67
O=C(NC1=NC(C2CCOCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234261	1	48	-1.0	-45.36	370.21	4.69	-40.67
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234261	1	47	-2.0	-106.37	369.48	3.96	-102.41
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234261	1	47	-2.0	-106.37	369.52	3.97	-102.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1CNC2=O	REAL300020234262	0	40	-1.0	-45.93	345.11	2.28	-43.65
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1CNC2=O	REAL300020234262	1	40	-1.0	-45.92	345.05	2.25	-43.67
O=C(NC1=C2CNC(=O)C2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234263	0	40	-1.0	-46.65	324.96	1.79	-44.86
O=C(NC1=C2CNC(=O)C2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234263	1	40	-1.0	-46.65	325.02	1.81	-44.84
O=C(NC1=C2CNC(=O)C2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234264	0	37	-1.0	-54.93	309.96	0.88	-54.05
O=C(NC1=C2CNC(=O)C2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234264	1	37	-1.0	-54.97	310.02	0.88	-54.09
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CNC2=O)C1=N[N-]N=N1	REAL300020234265	0	40	-1.0	-49.89	354.22	0.85	-49.04
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CNC2=O)C1=NN=N[N-]1	REAL300020234265	1	40	-1.0	-49.90	354.28	0.86	-49.04
O=C(NC1=C2CNC(=O)C2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234266	0	37	-1.0	-47.60	312.04	0.95	-46.65
O=C(NC1=C2CNC(=O)C2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234266	1	37	-1.0	-47.60	312.11	0.96	-46.64
O=C(NC1=C2CNC(=O)C2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234267	0	43	-1.0	-40.47	335.27	1.94	-38.53
O=C(NC1=C2CNC(=O)C2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234267	1	43	-1.0	-40.46	335.27	1.96	-38.50
CC1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C#N	REAL300020234268	0	36	-1.0	-40.45	333.45	4.90	-35.55
CC1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C#N	REAL300020234268	1	36	-1.0	-40.42	333.39	4.87	-35.55
CC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C#N	REAL300020234269	0	36	-1.0	-41.36	314.19	4.42	-36.94
CC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C#N	REAL300020234269	1	36	-1.0	-41.38	314.25	4.44	-36.94
CC1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C#N	REAL300020234270	0	33	-1.0	-46.43	298.76	3.50	-42.93
CC1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C#N	REAL300020234270	1	33	-1.0	-46.43	298.82	3.52	-42.91
CSCC[C@H](NC(=O)NC1=C(C#N)C(C)=CS1)C1=N[N-]N=N1	REAL300020234271	0	36	-1.0	-41.84	342.34	3.47	-38.37
CSCC[C@H](NC(=O)NC1=C(C#N)C(C)=CS1)C1=NN=N[N-]1	REAL300020234271	1	36	-1.0	-41.88	342.40	3.49	-38.39
CC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C#N	REAL300020234272	0	33	-1.0	-39.58	300.22	3.55	-36.03
CC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020234272	1	33	-1.0	-39.61	300.30	3.56	-36.05
CC1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C#N	REAL300020234273	0	39	-1.0	-41.90	322.44	5.29	-36.61
CC1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C#N	REAL300020234273	1	39	-1.0	-41.92	322.49	5.30	-36.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=CC2=C1OCC(=O)N2	REAL300020234274	0	41	-1.0	-42.68	368.71	2.62	-40.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=CC2=C1OCC(=O)N2	REAL300020234274	1	41	-1.0	-42.67	368.77	2.65	-40.02
O=C(NC1=CC(Cl)=CC2=C1OCC(=O)N2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234275	0	41	-1.0	-44.14	349.21	2.16	-41.98
O=C(NC1=CC(Cl)=CC2=C1OCC(=O)N2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234275	1	41	-1.0	-44.15	349.27	2.18	-41.97
O=C(NC1=CC(Cl)=CC2=C1OCC(=O)N2)N1CCCC1C1=N[N-]N=N1	REAL300020234276	0	38	-1.0	-53.32	335.31	1.24	-52.08
O=C(NC1=CC(Cl)=CC2=C1OCC(=O)N2)N1CCCC1C1=NN=N[N-]1	REAL300020234276	1	38	-1.0	-53.27	335.37	1.27	-52.00
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC2=C1OCC(=O)N2)C1=N[N-]N=N1	REAL300020234277	0	41	-1.0	-47.10	378.89	1.20	-45.90
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC2=C1OCC(=O)N2)C1=NN=N[N-]1	REAL300020234277	1	41	-1.0	-47.08	378.95	1.22	-45.86
O=C(NC1=CC(Cl)=CC2=C1OCC(=O)N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020234278	0	38	-1.0	-43.92	336.72	1.27	-42.65
O=C(NC1=CC(Cl)=CC2=C1OCC(=O)N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020234278	1	38	-1.0	-43.93	336.79	1.29	-42.64
O=C(NC1=CC(Cl)=CC2=C1OCC(=O)N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020234279	0	44	-1.0	-38.50	360.01	2.34	-36.16
O=C(NC1=CC(Cl)=CC2=C1OCC(=O)N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020234279	1	44	-1.0	-38.48	360.05	2.35	-36.13
O=C(NC1=NN2CCCCC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234280	0	42	-1.0	-44.59	346.86	5.17	-39.42
O=C(NC1=NN2CCCCC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234280	1	42	-1.0	-44.58	346.80	5.15	-39.43
O=C(NC1=NN2CCCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234281	0	42	-1.0	-46.60	327.65	4.68	-41.92
O=C(NC1=NN2CCCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234281	1	42	-1.0	-46.60	327.70	4.69	-41.91
O=C(NC1=NN2CCCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234282	0	39	-1.0	-56.01	312.18	3.77	-52.24
O=C(NC1=NN2CCCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234282	1	39	-1.0	-56.05	312.23	3.79	-52.26
CSCC[C@H](NC(=O)NC1=NN2CCCCC2=C1)C1=N[N-]N=N1	REAL300020234283	0	42	-1.0	-49.37	355.78	3.73	-45.64
CSCC[C@H](NC(=O)NC1=NN2CCCCC2=C1)C1=NN=N[N-]1	REAL300020234283	1	42	-1.0	-49.38	355.84	3.75	-45.63
O=C(NC1=NN2CCCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234284	0	39	-1.0	-45.73	313.64	3.83	-41.90
O=C(NC1=NN2CCCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234284	1	39	-1.0	-45.69	313.71	3.83	-41.86
O=C(NC1=NN2CCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234285	0	45	-1.0	-51.96	335.61	5.57	-46.39
O=C(NC1=NN2CCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234285	1	45	-1.0	-51.96	335.65	5.58	-46.38
CSC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020234286	0	38	-1.0	-47.99	342.59	5.69	-42.30
CSC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020234286	1	38	-1.0	-48.01	342.54	5.67	-42.34
CSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020234287	0	38	-1.0	-42.50	320.98	4.56	-37.94
CSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020234287	1	38	-1.0	-42.47	320.92	4.54	-37.93
CSC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020234288	0	35	-1.0	-58.40	308.32	4.26	-54.14
CSC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234288	1	35	-1.0	-58.43	308.26	4.24	-54.19
CSCC[C@H](NC(=O)NC1=CC=CC(SC)=N1)C1=NN=N[N-]1	REAL300020234289	0	38	-1.0	-51.07	351.84	4.22	-46.85
CSCC[C@H](NC(=O)NC1=CC=CC(SC)=N1)C1=N[N-]N=N1	REAL300020234289	1	38	-1.0	-51.02	351.78	4.21	-46.81
CSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020234290	0	35	-1.0	-48.05	309.69	4.32	-43.73
CSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234290	1	35	-1.0	-48.08	309.61	4.30	-43.78
CSC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020234291	0	41	-1.0	-51.77	329.84	6.09	-45.68
CSC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020234291	1	41	-1.0	-51.75	329.81	6.08	-45.67
O=C(NC1=CC(F)=C(F)C=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234292	0	48	-1.0	-42.41	382.06	3.89	-38.52
O=C(NC1=CC(F)=C(F)C=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234292	1	48	-1.0	-42.42	382.12	3.90	-38.52
O=C(NC1=CC(F)=C(F)C=C1N1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020234293	0	45	-1.0	-53.08	368.26	2.87	-50.21
O=C(NC1=CC(F)=C(F)C=C1N1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020234293	1	45	-1.0	-53.05	368.32	2.89	-50.16
O=C(NC1=CC(F)=C(F)C=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234294	0	45	-1.0	-42.83	368.79	2.99	-39.84
O=C(NC1=CC(F)=C(F)C=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234294	1	45	-1.0	-42.84	368.86	3.00	-39.84
CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020234295	0	41	-1.0	-42.96	358.33	6.64	-36.32
CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020234295	1	41	-1.0	-42.95	358.27	6.62	-36.33
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020234296	0	41	-1.0	-45.17	339.53	6.08	-39.09
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020234296	1	41	-1.0	-45.19	339.59	6.10	-39.09
CCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020234297	0	38	-1.0	-57.56	325.11	5.25	-52.31
CCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020234297	1	38	-1.0	-57.54	325.17	5.27	-52.27
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020234298	0	41	-1.0	-44.62	367.49	5.15	-39.47
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020234298	1	41	-1.0	-44.59	367.55	5.17	-39.42
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020234299	0	38	-1.0	-45.60	326.49	5.31	-40.29
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020234299	1	38	-1.0	-45.55	326.56	5.31	-40.24
CCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020234300	0	44	-1.0	-40.09	354.02	6.27	-33.82
CCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020234300	1	44	-1.0	-40.07	354.07	6.30	-33.77
CN1C=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C1=O	REAL300020234301	0	44	-1.0	-56.84	374.82	5.88	-50.96
CN1C=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C1=O	REAL300020234301	1	44	-1.0	-56.86	374.76	5.85	-51.01
CN1C=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C1=O	REAL300020234302	0	44	-1.0	-49.62	355.65	5.37	-44.25
CN1C=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C1=O	REAL300020234302	1	44	-1.0	-49.65	355.70	5.39	-44.26
CN1C=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C1=O	REAL300020234303	0	41	-1.0	-71.20	340.44	4.44	-66.76
CN1C=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C1=O	REAL300020234303	1	41	-1.0	-71.17	340.49	4.46	-66.71
CSCC[C@H](NC(=O)NC1=CC=C2C=CN(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL300020234304	0	44	-1.0	-62.53	383.62	4.45	-58.08
CSCC[C@H](NC(=O)NC1=CC=C2C=CN(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL300020234304	1	44	-1.0	-62.56	383.68	4.46	-58.10
CN1C=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020234305	0	41	-1.0	-49.46	341.74	4.50	-44.96
CN1C=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020234305	1	41	-1.0	-49.46	341.81	4.52	-44.94
CN1C=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1=O	REAL300020234306	0	47	-1.0	-55.23	368.01	5.51	-49.72
CN1C=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1=O	REAL300020234306	1	47	-1.0	-53.14	368.12	5.53	-47.61
CCN(C)C(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234307	0	48	-1.0	-74.59	396.59	5.61	-68.98
CCN(C)C(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234307	1	48	-1.0	-74.63	396.53	5.58	-69.05
CCN(C)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234308	0	48	-1.0	-47.25	379.16	5.17	-42.08
CCN(C)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234308	1	48	-1.0	-47.31	379.22	5.18	-42.13
CCN(C)C(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234309	0	45	-1.0	-75.84	362.01	4.26	-71.58
CCN(C)C(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234309	1	45	-1.0	-75.85	362.06	4.27	-71.58
CCN(C)C(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020234310	0	48	-1.0	-67.44	403.94	4.18	-63.26
CCN(C)C(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020234310	1	48	-1.0	-67.46	404.00	4.20	-63.26
CCN(C)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234311	0	45	-1.0	-48.19	363.35	4.31	-43.88
CCN(C)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234311	1	45	-1.0	-48.16	363.43	4.32	-43.84
CCN(C)C(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234312	0	51	-1.0	-51.18	389.39	5.54	-45.64
CCN(C)C(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234312	1	51	-1.0	-51.19	389.44	5.54	-45.65
CCN(C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1)C1CCCC1	REAL300020234313	0	54	-1.0	-47.12	406.99	10.16	-36.96
CCN(C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1)C1CCCC1	REAL300020234313	1	54	-1.0	-47.10	406.93	10.14	-36.96
CCN(C1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1)C1CCCC1	REAL300020234314	0	51	-1.0	-56.89	391.08	8.55	-48.34
CCN(C1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1)C1CCCC1	REAL300020234314	1	51	-1.0	-56.87	391.02	8.54	-48.33
CCN(C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1)C1CCCC1	REAL300020234315	0	51	-1.0	-46.33	392.54	8.61	-37.72
CCN(C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1)C1CCCC1	REAL300020234315	1	51	-1.0	-46.36	392.46	8.60	-37.76
CCN(C1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1)C1CCCC1	REAL300020234316	0	57	-1.0	-52.98	416.83	10.32	-42.66
CCN(C1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1)C1CCCC1	REAL300020234316	1	57	-1.0	-53.01	416.78	10.31	-42.70
COC1=CC=C(CN2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)C=C1	REAL300020234317	0	49	-1.0	-50.48	397.07	5.21	-45.27
COC1=CC=C(CN2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)C=C1	REAL300020234317	1	49	-1.0	-50.47	397.01	5.20	-45.27
COC1=CC=C(CN2C=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)C=C1	REAL300020234318	0	46	-1.0	-62.27	381.63	4.32	-57.95
COC1=CC=C(CN2C=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)C=C1	REAL300020234318	1	46	-1.0	-62.26	381.57	4.31	-57.95
COC1=CC=C(CN2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020234319	0	46	-1.0	-51.44	383.11	4.36	-47.08
COC1=CC=C(CN2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C=C1	REAL300020234319	1	46	-1.0	-51.45	383.03	4.34	-47.11
COC1=CC=C(CN2C=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)C=C1	REAL300020234320	0	52	-1.0	-58.05	405.08	6.12	-51.93
COC1=CC=C(CN2C=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)C=C1	REAL300020234320	1	52	-1.0	-58.07	405.04	6.12	-51.95
COC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1C	REAL300020234321	0	48	-1.0	-44.77	385.25	6.20	-38.57
COC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1C	REAL300020234321	1	48	-1.0	-44.77	385.19	6.18	-38.59
COC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1C	REAL300020234322	0	48	-1.0	-43.93	369.97	5.85	-38.08
COC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1C	REAL300020234322	1	48	-1.0	-43.92	370.03	5.86	-38.06
COC1=CC(C)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1C	REAL300020234323	0	45	-1.0	-55.74	350.40	4.55	-51.19
COC1=CC(C)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1C	REAL300020234323	1	45	-1.0	-55.78	350.46	4.56	-51.22
COC1=CC(C)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1C	REAL300020234324	0	48	-1.0	-47.04	393.67	4.57	-42.47
COC1=CC(C)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1C	REAL300020234324	1	48	-1.0	-47.06	393.73	4.58	-42.48
COC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1C	REAL300020234325	0	45	-1.0	-44.34	352.28	4.68	-39.66
COC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1C	REAL300020234325	1	45	-1.0	-44.39	352.36	4.70	-39.69
COC1=CC(C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1C	REAL300020234326	0	51	-1.0	-48.71	364.07	5.70	-43.01
COC1=CC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1C	REAL300020234326	1	51	-1.0	-48.73	364.12	5.70	-43.03
CNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1Br	REAL300020234327	0	39	-1.0	-55.11	338.12	2.41	-52.70
CNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1Br	REAL300020234327	1	39	-1.0	-55.13	338.17	2.43	-52.70
CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020234328	0	39	-1.0	-46.76	340.40	2.49	-44.27
CNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020234328	1	39	-1.0	-46.79	340.48	2.51	-44.28
CC1=CC(N2CCCCCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234329	0	56	-1.0	-43.66	406.60	6.75	-36.91
CC1=CC(N2CCCCCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234329	1	56	-1.0	-43.69	406.65	6.77	-36.92
CC1=CC(N2CCCCCC2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234330	0	53	-1.0	-54.18	392.20	5.86	-48.32
CC1=CC(N2CCCCCC2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234330	1	53	-1.0	-54.15	392.26	5.88	-48.27
CC1=CC(N2CCCCCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234331	0	53	-1.0	-44.35	393.21	5.94	-38.41
CC1=CC(N2CCCCCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234331	1	53	-1.0	-44.38	393.28	5.95	-38.43
CC1=CC(N2CCCCCC2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234332	0	59	-1.0	-43.57	419.56	7.02	-36.55
CC1=CC(N2CCCCCC2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234332	1	59	-1.0	-43.55	419.60	7.04	-36.51
O=C(NC1=CC(F)=C(N2CCOCC2)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234333	0	48	-1.0	-42.18	382.64	3.56	-38.62
O=C(NC1=CC(F)=C(N2CCOCC2)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234333	1	48	-1.0	-42.18	382.70	3.58	-38.60
O=C(NC1=CC(F)=C(N2CCOCC2)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020234334	0	45	-1.0	-52.66	368.47	2.63	-50.03
O=C(NC1=CC(F)=C(N2CCOCC2)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020234334	1	45	-1.0	-52.67	368.53	2.65	-50.02
O=C(NC1=CC(F)=C(N2CCOCC2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020234335	0	45	-1.0	-42.40	369.01	2.68	-39.72
O=C(NC1=CC(F)=C(N2CCOCC2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020234335	1	45	-1.0	-42.42	369.09	2.69	-39.73
O=C(NC1=CC=C(F)C(N2C(=O)CCC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234336	0	45	-1.0	-52.78	377.46	5.01	-47.77
O=C(NC1=CC=C(F)C(N2C(=O)CCC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234336	1	45	-1.0	-52.79	377.52	5.02	-47.77
O=C(NC1=CC=C(F)C(N2C(=O)CCC2=O)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234337	0	42	-1.0	-68.28	361.79	4.14	-64.14
O=C(NC1=CC=C(F)C(N2C(=O)CCC2=O)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234337	1	42	-1.0	-68.27	361.85	4.16	-64.11
O=C(NC1=CC=C(F)C(N2C(=O)CCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234338	0	42	-1.0	-57.10	363.14	4.19	-52.91
O=C(NC1=CC=C(F)C(N2C(=O)CCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234338	1	42	-1.0	-57.10	363.21	4.20	-52.90
CN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C1=CC=CC=C1	REAL300020234339	0	45	-1.0	-44.27	380.26	6.01	-38.26
CN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C1=CC=CC=C1	REAL300020234339	1	45	-1.0	-44.28	380.20	5.98	-38.30
CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C1=CC=CC=C1	REAL300020234340	0	45	-1.0	-45.78	361.04	5.53	-40.25
CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C1=CC=CC=C1	REAL300020234340	1	45	-1.0	-45.76	360.99	5.52	-40.24
CN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL300020234341	0	42	-1.0	-57.65	343.64	4.59	-53.06
CN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL300020234341	1	42	-1.0	-57.68	343.58	4.56	-53.12
CSCC[C@H](NC(=O)NC1=C(C2=CC=CC=C2)N(C)N=C1)C1=NN=N[N-]1	REAL300020234342	0	45	-1.0	-50.01	389.25	4.58	-45.43
CSCC[C@H](NC(=O)NC1=C(C2=CC=CC=C2)N(C)N=C1)C1=N[N-]N=N1	REAL300020234342	1	45	-1.0	-49.94	389.19	4.57	-45.37
CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020234343	0	42	-1.0	-46.41	345.15	4.62	-41.79
CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020234343	1	42	-1.0	-46.37	345.08	4.61	-41.76
CN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL300020234344	0	48	-1.0	-54.84	367.66	6.47	-48.37
CN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL300020234344	1	48	-1.0	-54.85	367.59	6.47	-48.38
CCC(C)(C)C1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020234345	0	53	-1.0	-59.56	402.01	7.08	-52.48
CCC(C)(C)C1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=NN=N[N-]1)=N2	REAL300020234345	1	53	-1.0	-59.58	402.07	7.09	-52.49
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020234345	1	52	-2.0	-119.91	400.62	6.03	-113.88
CCC(C)(C)C1CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020234346	0	53	-1.0	-47.92	403.52	7.13	-40.79
CCC(C)(C)C1CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020234346	1	53	-1.0	-47.92	403.60	7.15	-40.77
COCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020234347	0	37	-2.0	-91.33	341.93	2.05	-89.28
COCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020234347	1	37	-2.0	-91.32	341.87	2.02	-89.30
COCC1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020234347	1	38	-1.0	-46.04	345.19	3.25	-42.79
COCC1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020234347	1	38	-1.0	-46.01	345.13	3.23	-42.78
COCC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020234348	0	38	-1.0	-47.92	325.99	2.77	-45.15
COCC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020234348	1	38	-1.0	-47.87	325.93	2.75	-45.12
COCC1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020234348	1	37	-2.0	-93.35	324.97	1.94	-91.41
COCC1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020234348	1	37	-2.0	-93.35	324.92	1.92	-91.43
COCC1=CN=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020234349	0	35	-1.0	-59.01	310.54	1.86	-57.15
COCC1=CN=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020234349	1	35	-1.0	-58.99	310.49	1.84	-57.15
COCC1=CN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020234349	1	34	-2.0	-116.44	309.09	0.79	-115.65
COCC1=CN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020234349	1	34	-2.0	-116.43	309.15	0.82	-115.61
COCC1=CN=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020234350	0	38	-1.0	-52.10	354.17	1.82	-50.28
COCC1=CN=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020234350	1	38	-1.0	-52.08	354.11	1.81	-50.27
COCC1=CN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020234350	1	37	-2.0	-106.49	350.86	0.61	-105.88
COCC1=CN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020234350	1	37	-2.0	-106.48	350.92	0.62	-105.86
COCC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020234351	0	35	-1.0	-48.57	312.03	1.91	-46.66
COCC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020234351	1	35	-1.0	-48.54	311.96	1.90	-46.64
COCC1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020234351	1	34	-2.0	-94.96	309.94	0.87	-94.09
COCC1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020234351	1	34	-2.0	-95.03	309.87	0.86	-94.17
COCC1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020234352	0	41	-1.0	-54.31	334.47	3.63	-50.68
COCC1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020234352	1	41	-1.0	-54.34	334.42	3.62	-50.72
COCC1=CN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020234352	1	40	-2.0	-111.36	333.55	2.90	-108.46
COCC1=CN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020234352	1	40	-2.0	-111.37	333.50	2.90	-108.47
CC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020234353	0	40	-1.0	-46.78	350.54	5.36	-41.42
CC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020234353	1	40	-1.0	-46.80	350.48	5.34	-41.46
CC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020234354	0	40	-1.0	-47.13	327.81	4.80	-42.33
CC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020234354	1	40	-1.0	-47.09	327.87	4.81	-42.28
CC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020234355	0	37	-1.0	-53.21	316.14	3.92	-49.29
CC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020234355	1	37	-1.0	-53.19	316.19	3.94	-49.25
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C(C)=O)=C1)C1=N[N-]N=N1	REAL300020234356	0	40	-1.0	-47.54	358.15	3.83	-43.71
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C(C)=O)=C1)C1=NN=N[N-]1	REAL300020234356	1	40	-1.0	-47.56	358.20	3.85	-43.71
CC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020234357	0	37	-1.0	-48.05	316.01	3.91	-44.14
CC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020234357	1	37	-1.0	-48.14	316.09	3.92	-44.22
CC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020234358	0	43	-1.0	-39.68	341.65	4.94	-34.74
CC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020234358	1	43	-1.0	-39.62	341.69	4.94	-34.68
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(Cl)C=C1F	REAL300020234359	0	38	-1.0	-47.88	344.54	6.13	-41.75
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(Cl)C=C1F	REAL300020234359	1	38	-1.0	-47.87	344.48	6.11	-41.76
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(Cl)C=C1F	REAL300020234360	0	38	-1.0	-39.81	325.91	5.62	-34.19
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(Cl)C=C1F	REAL300020234360	1	38	-1.0	-39.80	325.97	5.64	-34.16
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(Cl)C=C1F	REAL300020234361	0	35	-1.0	-48.31	310.15	4.74	-43.57
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(Cl)C=C1F	REAL300020234361	1	35	-1.0	-48.32	310.21	4.76	-43.56
CSCC[C@H](NC(=O)NC1=CC(C)=C(F)C=C1Cl)C1=N[N-]N=N1	REAL300020234362	0	38	-1.0	-42.41	353.70	4.70	-37.71
CSCC[C@H](NC(=O)NC1=CC(C)=C(F)C=C1Cl)C1=NN=N[N-]1	REAL300020234362	1	38	-1.0	-42.48	353.76	4.72	-37.76
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Cl)C=C1F	REAL300020234363	0	35	-1.0	-39.68	311.55	4.78	-34.90
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Cl)C=C1F	REAL300020234363	1	35	-1.0	-39.68	311.63	4.79	-34.89
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(Cl)C=C1F	REAL300020234364	0	41	-1.0	-38.55	339.36	5.76	-32.79
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(Cl)C=C1F	REAL300020234364	1	41	-1.0	-38.57	339.41	5.78	-32.79
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C(F)(F)F)NC1=O	REAL300020234365	0	38	-1.0	-56.03	347.78	3.62	-52.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C(F)(F)F)NC1=O	REAL300020234365	1	38	-1.0	-56.04	347.84	3.64	-52.40
O=C(NC1=CC=C(C(F)(F)F)NC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234366	0	38	-1.0	-54.40	325.95	3.52	-50.88
O=C(NC1=CC=C(C(F)(F)F)NC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234366	1	38	-1.0	-54.41	326.00	3.54	-50.87
O=C(NC1=CC=C(C(F)(F)F)NC1=O)N1CCCC1C1=N[N-]N=N1	REAL300020234367	0	35	-1.0	-69.34	313.46	2.28	-67.06
O=C(NC1=CC=C(C(F)(F)F)NC1=O)N1CCCC1C1=NN=N[N-]1	REAL300020234367	1	35	-1.0	-69.37	313.52	2.30	-67.07
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)NC1=O)C1=N[N-]N=N1	REAL300020234368	0	38	-1.0	-52.80	356.96	2.26	-50.54
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)NC1=O)C1=NN=N[N-]1	REAL300020234368	1	38	-1.0	-52.80	357.02	2.28	-50.52
O=C(NC1=CC=C(C(F)(F)F)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234369	0	35	-1.0	-53.50	314.83	2.34	-51.16
O=C(NC1=CC=C(C(F)(F)F)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234369	1	35	-1.0	-53.47	314.91	2.36	-51.11
O=C(NC1=CC=C(C(F)(F)F)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234370	0	41	-1.0	-45.01	341.15	2.35	-42.66
O=C(NC1=CC=C(C(F)(F)F)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234370	1	41	-1.0	-45.05	341.20	2.38	-42.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C(F)F)C1CC1	REAL300020234371	0	38	-1.0	-42.81	323.21	4.19	-38.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C(F)F)C1CC1	REAL300020234371	1	38	-1.0	-42.81	323.15	4.16	-38.65
O=C(NC(C(F)F)C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234372	0	38	-1.0	-41.04	313.70	4.08	-36.96
O=C(NC(C(F)F)C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234372	1	38	-1.0	-41.03	313.76	4.09	-36.94
CSCC[C@H](NC(=O)NC(C(F)F)C1CC1)C1=N[N-]N=N1	REAL300020234373	0	38	-1.0	-49.58	332.12	2.75	-46.83
CSCC[C@H](NC(=O)NC(C(F)F)C1CC1)C1=NN=N[N-]1	REAL300020234373	1	38	-1.0	-49.61	332.17	2.76	-46.85
O=C(NC(C(F)F)C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234374	0	41	-1.0	-51.57	313.02	4.94	-46.63
O=C(NC(C(F)F)C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234374	1	41	-1.0	-51.57	313.06	4.94	-46.63
CC1=NN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)C=C1	REAL300020234375	0	45	-1.0	-62.97	383.59	6.54	-56.43
CC1=NN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)C=C1	REAL300020234375	1	45	-1.0	-62.97	383.54	6.52	-56.45
CC1=NN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C=C1	REAL300020234376	0	45	-1.0	-49.24	364.54	6.08	-43.16
CC1=NN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C=C1	REAL300020234376	1	45	-1.0	-49.24	364.60	6.09	-43.15
CC1=NN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C=C1	REAL300020234377	0	42	-1.0	-54.62	349.05	5.15	-49.47
CC1=NN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C=C1	REAL300020234377	1	42	-1.0	-54.60	349.10	5.17	-49.43
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC(C)=N2)C=C1)C1=N[N-]N=N1	REAL300020234378	0	45	-1.0	-48.62	392.30	5.15	-43.47
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC(C)=N2)C=C1)C1=NN=N[N-]1	REAL300020234378	1	45	-1.0	-48.62	392.36	5.17	-43.45
CC1=NN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020234379	0	42	-1.0	-45.96	350.42	5.21	-40.75
CC1=NN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020234379	1	42	-1.0	-45.98	350.49	5.22	-40.76
CC1=NN(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C=C1	REAL300020234380	0	48	-1.0	-50.43	369.92	7.03	-43.40
CC1=NN(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C=C1	REAL300020234380	1	48	-1.0	-50.43	369.96	7.04	-43.39
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020234381	0	38	-1.0	-45.11	330.20	1.50	-43.61
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020234381	1	38	-1.0	-45.10	330.14	1.48	-43.62
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020234382	0	38	-1.0	-42.93	311.21	1.00	-41.93
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020234382	1	38	-1.0	-42.93	311.15	0.99	-41.94
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=N1	REAL300020234383	0	38	-1.0	-49.15	339.20	0.09	-49.06
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=N1	REAL300020234383	1	38	-1.0	-49.14	339.14	0.07	-49.07
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020234384	0	41	-1.0	-41.10	325.63	1.18	-39.92
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020234384	1	41	-1.0	-41.10	325.58	1.17	-39.93
CCC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020234385	0	41	-1.0	-53.44	351.76	6.22	-47.22
CCC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020234385	1	41	-1.0	-53.49	351.70	6.20	-47.29
CCC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020234386	0	41	-1.0	-42.50	332.25	5.77	-36.73
CCC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020234386	1	41	-1.0	-42.51	332.30	5.78	-36.73
CCC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020234387	0	38	-1.0	-53.40	316.96	4.86	-48.54
CCC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020234387	1	38	-1.0	-53.44	317.02	4.87	-48.57
CCC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020234388	0	41	-1.0	-46.94	360.74	4.79	-42.15
CCC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020234388	1	41	-1.0	-46.95	360.80	4.80	-42.15
CCC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020234389	0	38	-1.0	-43.24	318.60	4.88	-38.36
CCC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020234389	1	38	-1.0	-43.24	318.67	4.90	-38.34
CCC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020234390	0	44	-1.0	-38.77	345.06	5.94	-32.83
CCC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020234390	1	44	-1.0	-38.77	345.10	5.94	-32.83
O=C(NC1=CC=CC2=CC(Br)=CN=C21)N1CCCC1C1=NN=N[N-]1	REAL300020234391	0	37	-1.0	-53.15	329.59	4.57	-48.58
O=C(NC1=CC=CC2=CC(Br)=CN=C21)N1CCCC1C1=N[N-]N=N1	REAL300020234391	1	37	-1.0	-53.09	329.54	4.57	-48.52
O=C(NC1=CC=CC2=CC(Br)=CN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020234392	0	37	-1.0	-43.10	330.97	4.62	-38.48
O=C(NC1=CC=CC2=CC(Br)=CN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020234392	1	37	-1.0	-43.11	330.90	4.61	-38.50
CC1=NOC(CN2N=NC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2C)=C1	REAL300020234393	0	46	-1.0	-53.98	399.46	5.02	-48.96
CC1=NOC(CN2N=NC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2C)=C1	REAL300020234393	1	46	-1.0	-53.97	399.52	5.04	-48.93
CC1=NOC(CN2N=NC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2C)=C1	REAL300020234394	0	46	-1.0	-60.65	378.94	4.48	-56.17
CC1=NOC(CN2N=NC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2C)=C1	REAL300020234394	1	46	-1.0	-60.67	379.00	4.50	-56.17
CC1=NOC(CN2N=NC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2C)=C1	REAL300020234395	0	43	-1.0	-69.03	365.74	3.67	-65.36
CC1=NOC(CN2N=NC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2C)=C1	REAL300020234395	1	43	-1.0	-69.01	365.80	3.69	-65.32
CSCC[C@H](NC(=O)NC1=C(C)N(CC2=CC(C)=NO2)N=N1)C1=N[N-]N=N1	REAL300020234396	0	46	-1.0	-59.72	408.44	3.60	-56.12
CSCC[C@H](NC(=O)NC1=C(C)N(CC2=CC(C)=NO2)N=N1)C1=NN=N[N-]1	REAL300020234396	1	46	-1.0	-59.69	408.50	3.62	-56.07
CC1=NOC(CN2N=NC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C)=C1	REAL300020234397	0	43	-1.0	-62.64	364.96	3.61	-59.03
CC1=NOC(CN2N=NC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C)=C1	REAL300020234397	1	43	-1.0	-62.69	365.03	3.63	-59.06
CC1=NOC(CN2N=NC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C)=C1	REAL300020234398	0	49	-1.0	-64.70	389.67	5.45	-59.25
CC1=NOC(CN2N=NC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C)=C1	REAL300020234398	1	49	-1.0	-64.74	389.72	5.46	-59.28
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Br	REAL300020234399	0	36	-1.0	-47.49	343.26	5.72	-41.77
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Br	REAL300020234399	1	36	-1.0	-47.48	343.32	5.74	-41.74
N#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020234400	0	36	-1.0	-44.84	324.54	5.17	-39.67
N#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020234400	1	36	-1.0	-44.79	324.59	5.19	-39.60
N#CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020234401	0	33	-1.0	-49.02	309.29	4.26	-44.76
N#CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020234401	1	33	-1.0	-49.03	309.35	4.28	-44.75
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C(Br)=C1)C1=N[N-]N=N1	REAL300020234402	0	36	-1.0	-46.99	352.77	4.24	-42.75
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C(Br)=C1)C1=NN=N[N-]1	REAL300020234402	1	36	-1.0	-47.00	352.83	4.25	-42.75
N#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020234403	0	33	-1.0	-42.35	310.33	4.36	-37.99
N#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020234403	1	33	-1.0	-42.35	310.40	4.36	-37.99
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020234404	0	39	-1.0	-36.89	338.96	5.38	-31.51
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020234404	1	39	-1.0	-36.89	339.01	5.40	-31.49
CC(C)C1=NOC(CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300020234405	0	52	-1.0	-47.69	420.94	5.39	-42.30
CC(C)C1=NOC(CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300020234405	1	52	-1.0	-47.62	421.00	5.41	-42.21
CC(C)C1=NOC(CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020234406	0	49	-1.0	-55.68	405.43	4.48	-51.20
CC(C)C1=NOC(CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020234406	1	49	-1.0	-55.65	405.49	4.49	-51.16
CC(C)C1=NOC(CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020234407	0	49	-1.0	-47.52	406.81	4.53	-42.99
CC(C)C1=NOC(CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020234407	1	49	-1.0	-47.54	406.88	4.54	-43.00
CN(C)S(=O)(=O)CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020234408	0	45	-1.0	-49.41	380.58	1.09	-48.32
CN(C)S(=O)(=O)CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020234408	1	45	-1.0	-49.41	380.64	1.11	-48.30
CN(C)S(=O)(=O)CC(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020234409	0	42	-1.0	-62.64	366.09	0.10	-62.54
CN(C)S(=O)(=O)CC(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020234409	1	42	-1.0	-62.67	366.14	0.13	-62.54
CN(C)S(=O)(=O)CC(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020234410	0	42	-1.0	-50.43	367.85	0.09	-50.34
CN(C)S(=O)(=O)CC(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020234410	1	42	-1.0	-50.47	367.93	0.09	-50.38
COC1=CC=C(CS(C)(=O)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234411	0	48	-1.0	-56.58	398.05	1.88	-54.70
COC1=CC=C(CS(C)(=O)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234411	1	48	-1.0	-56.58	398.11	1.90	-54.68
COC1=CC=C(CS(C)(=O)=O)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234412	0	45	-1.0	-63.97	381.52	1.00	-62.97
COC1=CC=C(CS(C)(=O)=O)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234412	1	45	-1.0	-64.01	381.58	1.00	-63.01
COC1=CC=C(CS(C)(=O)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234413	0	45	-1.0	-54.89	383.69	1.04	-53.85
COC1=CC=C(CS(C)(=O)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234413	1	45	-1.0	-54.90	383.77	1.06	-53.84
COC1=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C=C1	REAL300020234414	0	45	-1.0	-44.21	378.36	6.41	-37.80
COC1=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C=C1	REAL300020234414	1	45	-1.0	-44.13	378.30	6.39	-37.74
COC1=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300020234415	0	45	-1.0	-46.16	359.58	5.86	-40.30
COC1=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300020234415	1	45	-1.0	-46.14	359.64	5.87	-40.27
COC1=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300020234416	0	42	-1.0	-58.17	343.98	4.97	-53.20
COC1=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300020234416	1	42	-1.0	-58.14	344.03	4.99	-53.15
COC1=CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2C=C1	REAL300020234417	0	45	-1.0	-51.23	387.82	4.90	-46.33
COC1=CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2C=C1	REAL300020234417	1	45	-1.0	-51.22	387.87	4.92	-46.30
COC1=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020234418	0	42	-1.0	-46.20	345.69	4.99	-41.21
COC1=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020234418	1	42	-1.0	-46.18	345.77	5.00	-41.18
COC1=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020234419	0	48	-1.0	-43.01	373.96	6.06	-36.95
COC1=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020234419	1	48	-1.0	-43.03	374.01	6.07	-36.96
COCCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020234420	0	53	-1.0	-46.33	419.95	4.25	-42.08
COCCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020234420	1	53	-1.0	-46.38	420.01	4.27	-42.11
COCCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC	REAL300020234421	0	50	-1.0	-55.97	404.24	3.38	-52.59
COCCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC	REAL300020234421	1	50	-1.0	-55.98	404.30	3.40	-52.58
COCCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020234422	0	50	-1.0	-46.33	405.94	3.41	-42.92
COCCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020234422	1	50	-1.0	-46.26	406.02	3.42	-42.84
O=C(NC1=C(Br)C2=NC=CN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234423	0	36	-1.0	-53.22	321.89	2.69	-50.53
O=C(NC1=C(Br)C2=NC=CN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234423	1	36	-1.0	-53.19	321.84	2.67	-50.52
O=C(NC1=C(Br)C2=NC=CN=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234424	0	36	-1.0	-44.60	324.20	2.78	-41.82
O=C(NC1=C(Br)C2=NC=CN=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234424	1	36	-1.0	-44.60	324.13	2.77	-41.83
O=C(NC1=NN2C=CC=CC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234425	0	38	-1.0	-46.86	329.99	5.54	-41.32
O=C(NC1=NN2C=CC=CC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234425	1	38	-1.0	-46.84	329.93	5.52	-41.32
O=C(NC1=NN2C=CC=CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234426	0	38	-1.0	-48.96	310.83	5.07	-43.89
O=C(NC1=NN2C=CC=CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234426	1	38	-1.0	-48.96	310.77	5.05	-43.91
CSCC[C@H](NC(=O)NC1=NN2C=CC=CC2=C1)C1=NN=N[N-]1	REAL300020234427	0	38	-1.0	-52.15	338.97	4.12	-48.03
CSCC[C@H](NC(=O)NC1=NN2C=CC=CC2=C1)C1=N[N-]N=N1	REAL300020234427	1	38	-1.0	-52.13	338.91	4.11	-48.02
O=C(NC1=NN2C=CC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234428	0	41	-1.0	-55.03	318.74	5.95	-49.08
O=C(NC1=NN2C=CC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234428	1	41	-1.0	-55.05	318.69	5.95	-49.10
O=C(NC1=CC=C(F)C=C1OC1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234429	0	50	-1.0	-42.42	391.36	4.94	-37.48
O=C(NC1=CC=C(F)C=C1OC1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234429	1	50	-1.0	-42.42	391.42	4.96	-37.46
O=C(NC1=CC=C(F)C=C1OC1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020234430	0	47	-1.0	-51.80	377.45	4.05	-47.75
O=C(NC1=CC=C(F)C=C1OC1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020234430	1	47	-1.0	-51.78	377.50	4.07	-47.71
O=C(NC1=CC=C(F)C=C1OC1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234431	0	47	-1.0	-42.80	379.26	4.08	-38.72
O=C(NC1=CC=C(F)C=C1OC1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234431	1	47	-1.0	-42.76	379.33	4.09	-38.67
COCCC1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234432	0	44	-1.0	-45.86	375.75	5.03	-40.83
COCCC1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234432	1	44	-1.0	-45.81	375.70	5.01	-40.80
COCCC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234433	0	44	-1.0	-43.66	353.90	3.86	-39.80
COCCC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234433	1	44	-1.0	-43.63	353.96	3.88	-39.75
COCCC1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234434	0	41	-1.0	-59.18	341.25	3.61	-55.57
COCCC1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234434	1	41	-1.0	-59.19	341.30	3.63	-55.56
COCCC1=CC=NC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020234435	0	44	-1.0	-51.73	384.93	3.55	-48.18
COCCC1=CC=NC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020234435	1	44	-1.0	-51.70	384.99	3.57	-48.13
COCCC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234436	0	41	-1.0	-48.53	342.76	3.65	-44.88
COCCC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234436	1	41	-1.0	-48.52	342.83	3.67	-44.85
COCCC1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234437	0	47	-1.0	-45.43	368.95	4.12	-41.31
COCCC1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234437	1	47	-1.0	-45.46	369.00	4.11	-41.35
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=CC=C1C(F)(F)F	REAL300020234438	0	38	-1.0	-50.02	354.44	6.55	-43.47
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=CC=C1C(F)(F)F	REAL300020234438	1	38	-1.0	-50.01	354.50	6.58	-43.43
O=C(NC1=CC(Cl)=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234439	0	38	-1.0	-40.74	333.72	6.06	-34.68
O=C(NC1=CC(Cl)=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234439	1	38	-1.0	-40.72	333.78	6.08	-34.64
O=C(NC1=CC(Cl)=CC=C1C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020234440	0	35	-1.0	-50.82	320.09	5.20	-45.62
O=C(NC1=CC(Cl)=CC=C1C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020234440	1	35	-1.0	-50.81	320.15	5.22	-45.59
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020234441	0	38	-1.0	-44.36	362.68	5.11	-39.25
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020234441	1	38	-1.0	-44.32	362.73	5.12	-39.20
O=C(NC1=CC(Cl)=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020234442	0	35	-1.0	-41.22	321.45	5.24	-35.98
O=C(NC1=CC(Cl)=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020234442	1	35	-1.0	-41.27	321.53	5.26	-36.01
O=C(NC1=CC(Cl)=CC=C1C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020234443	0	41	-1.0	-45.99	342.68	6.98	-39.01
O=C(NC1=CC(Cl)=CC=C1C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020234443	1	41	-1.0	-45.99	342.73	6.99	-39.00
COCCNC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234444	0	49	-1.0	-72.06	414.81	2.94	-69.12
COCCNC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234444	1	49	-1.0	-72.09	414.87	2.96	-69.13
COCCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234445	0	49	-1.0	-48.46	394.42	2.53	-45.93
COCCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234445	1	49	-1.0	-48.39	394.48	2.54	-45.85
COCCNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234446	0	46	-1.0	-74.23	380.06	1.60	-72.63
COCCNC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234446	1	46	-1.0	-74.19	380.12	1.62	-72.57
COCCNC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020234447	0	49	-1.0	-58.48	423.58	1.56	-56.92
COCCNC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020234447	1	49	-1.0	-58.47	423.64	1.58	-56.89
COCCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234448	0	46	-1.0	-56.83	381.42	1.66	-55.17
COCCNC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234448	1	46	-1.0	-56.82	381.49	1.66	-55.16
COCCNC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234449	0	52	-1.0	-53.47	403.71	3.38	-50.09
COCCNC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234449	1	52	-1.0	-53.47	403.77	3.39	-50.08
COC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(Cl)C=C1C(N)=O	REAL300020234450	0	43	-1.0	-45.87	362.12	2.34	-43.53
COC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(Cl)C=C1C(N)=O	REAL300020234450	1	43	-1.0	-45.88	362.18	2.35	-43.53
COC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C(Cl)C=C1C(N)=O	REAL300020234451	0	40	-1.0	-55.24	347.11	1.44	-53.80
COC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C(Cl)C=C1C(N)=O	REAL300020234451	1	40	-1.0	-55.24	347.17	1.45	-53.79
COC1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C(Cl)C=C1C(N)=O	REAL300020234452	0	43	-1.0	-48.55	391.67	1.39	-47.16
COC1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C(Cl)C=C1C(N)=O	REAL300020234452	1	43	-1.0	-48.58	391.73	1.40	-47.18
COC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Cl)C=C1C(N)=O	REAL300020234453	0	40	-1.0	-45.41	349.60	1.46	-43.95
COC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Cl)C=C1C(N)=O	REAL300020234453	1	40	-1.0	-45.41	349.68	1.48	-43.93
COC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(Cl)C=C1C(N)=O	REAL300020234454	0	46	-1.0	-52.76	370.21	3.33	-49.43
COC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(Cl)C=C1C(N)=O	REAL300020234454	1	46	-1.0	-52.76	370.27	3.34	-49.42
COC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C(Cl)C=C1C(=O)N(C)C	REAL300020234455	0	46	-1.0	-56.22	390.02	3.66	-52.56
COC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C(Cl)C=C1C(=O)N(C)C	REAL300020234455	1	46	-1.0	-56.23	390.08	3.67	-52.56
COC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Cl)C=C1C(=O)N(C)C	REAL300020234456	0	46	-1.0	-44.93	393.79	3.77	-41.16
COC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Cl)C=C1C(=O)N(C)C	REAL300020234456	1	46	-1.0	-44.96	393.86	3.78	-41.18
CN(C)S(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020234457	0	46	-1.0	-45.96	379.85	2.15	-43.81
CN(C)S(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020234457	1	46	-1.0	-45.98	379.91	2.17	-43.81
CN(C)S(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020234458	0	43	-1.0	-68.43	364.87	1.25	-67.18
CN(C)S(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020234458	1	43	-1.0	-68.41	364.93	1.26	-67.15
CN(C)S(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020234459	0	43	-1.0	-45.36	365.79	1.32	-44.04
CN(C)S(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020234459	1	43	-1.0	-45.36	365.87	1.33	-44.03
CNS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020234460	0	43	-1.0	-46.56	358.57	0.23	-46.33
CNS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020234460	1	43	-1.0	-46.59	358.62	0.24	-46.35
CNS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020234461	0	40	-1.0	-63.73	343.11	-0.67	-64.40
CNS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020234461	1	40	-1.0	-63.72	343.16	-0.66	-64.38
CNS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020234462	0	40	-1.0	-45.70	344.41	-0.61	-46.31
CNS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020234462	1	40	-1.0	-45.74	344.49	-0.61	-46.35
CNS(=O)(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020234463	0	46	-1.0	-45.69	370.94	0.43	-45.26
CNS(=O)(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020234463	1	46	-1.0	-45.67	370.98	0.43	-45.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=CC=N1	REAL300020234464	0	34	-1.0	-43.70	315.89	5.04	-38.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=CC=N1	REAL300020234464	1	34	-1.0	-43.72	315.84	5.01	-38.71
O=C(NC1=CC(Cl)=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234465	0	34	-1.0	-42.65	294.21	3.89	-38.76
O=C(NC1=CC(Cl)=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234465	1	34	-1.0	-42.64	294.15	3.88	-38.76
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=N1)C1=NN=N[N-]1	REAL300020234466	0	34	-1.0	-48.63	325.13	3.57	-45.06
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=N1)C1=N[N-]N=N1	REAL300020234466	1	34	-1.0	-48.65	325.07	3.56	-45.09
O=C(NC1=CC(Cl)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234467	0	37	-1.0	-50.46	305.54	5.36	-45.10
O=C(NC1=CC(Cl)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234467	1	37	-1.0	-50.46	305.49	5.34	-45.12
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1Br	REAL300020234468	0	37	-1.0	-48.22	339.02	5.54	-42.68
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1Br	REAL300020234468	1	37	-1.0	-48.25	338.96	5.52	-42.73
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1Br	REAL300020234469	0	37	-1.0	-50.52	319.92	5.08	-45.44
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1Br	REAL300020234469	1	37	-1.0	-50.51	319.86	5.07	-45.44
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C1Br	REAL300020234470	0	34	-1.0	-62.71	304.49	4.16	-58.55
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C1Br	REAL300020234470	1	34	-1.0	-62.71	304.43	4.15	-58.56
CSCC[C@H](NC(=O)NC1=CC=C(C)C(Br)=N1)C1=NN=N[N-]1	REAL300020234471	0	37	-1.0	-54.76	348.02	4.12	-50.64
CSCC[C@H](NC(=O)NC1=CC=C(C)C(Br)=N1)C1=N[N-]N=N1	REAL300020234471	1	37	-1.0	-54.80	347.96	4.11	-50.69
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1Br	REAL300020234472	0	34	-1.0	-51.65	305.87	4.22	-47.43
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1Br	REAL300020234472	1	34	-1.0	-51.62	305.79	4.21	-47.41
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1Br	REAL300020234473	0	40	-1.0	-57.02	328.44	5.91	-51.11
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1Br	REAL300020234473	1	40	-1.0	-57.01	328.38	5.89	-51.12
CC(C)S(=O)(=O)C1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234474	0	44	-1.0	-59.59	373.25	3.70	-55.89
CC(C)S(=O)(=O)C1=C(Cl)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234474	1	44	-1.0	-59.66	373.31	3.72	-55.94
CC(C)S(=O)(=O)C1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234475	0	44	-1.0	-46.17	373.84	3.76	-42.41
CC(C)S(=O)(=O)C1=C(Cl)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234475	1	44	-1.0	-46.19	373.91	3.77	-42.42
CC1=NC(CN2N=NC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2C)=NO1	REAL300020234476	0	45	-1.0	-54.49	394.11	2.37	-52.12
CC1=NC(CN2N=NC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2C)=NO1	REAL300020234476	1	45	-1.0	-54.54	394.17	2.39	-52.15
CC1=NC(CN2N=NC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2C)=NO1	REAL300020234477	0	45	-1.0	-57.60	375.90	1.93	-55.67
CC1=NC(CN2N=NC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2C)=NO1	REAL300020234477	1	45	-1.0	-57.60	375.95	1.94	-55.66
CC1=NC(CN2N=NC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2C)=NO1	REAL300020234478	0	42	-1.0	-71.38	359.47	0.98	-70.40
CC1=NC(CN2N=NC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2C)=NO1	REAL300020234478	1	42	-1.0	-71.40	359.52	0.99	-70.41
CSCC[C@H](NC(=O)NC1=C(C)N(CC2=NOC(C)=N2)N=N1)C1=N[N-]N=N1	REAL300020234479	0	45	-1.0	-61.28	403.09	0.95	-60.33
CSCC[C@H](NC(=O)NC1=C(C)N(CC2=NOC(C)=N2)N=N1)C1=NN=N[N-]1	REAL300020234479	1	45	-1.0	-61.25	403.15	0.97	-60.28
CC1=NC(CN2N=NC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C)=NO1	REAL300020234480	0	42	-1.0	-59.22	360.93	1.06	-58.16
CC1=NC(CN2N=NC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C)=NO1	REAL300020234480	1	42	-1.0	-59.22	361.00	1.06	-58.16
CC1=NC(CN2N=NC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C)=NO1	REAL300020234481	0	48	-1.0	-65.95	383.16	2.78	-63.17
CC1=NC(CN2N=NC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C)=NO1	REAL300020234481	1	48	-1.0	-65.97	383.21	2.78	-63.19
CCOC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C	REAL300020234482	0	45	-1.0	-53.65	374.72	5.73	-47.92
CCOC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C	REAL300020234482	1	45	-1.0	-53.66	374.66	5.71	-47.95
CCOC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C	REAL300020234483	0	45	-1.0	-43.61	355.46	5.26	-38.35
CCOC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C	REAL300020234483	1	45	-1.0	-43.60	355.51	5.27	-38.33
CCOC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020234484	0	42	-1.0	-54.35	339.91	4.37	-49.98
CCOC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020234484	1	42	-1.0	-54.36	339.96	4.39	-49.97
CCOC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1C	REAL300020234485	0	45	-1.0	-46.38	383.42	4.34	-42.04
CCOC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1C	REAL300020234485	1	45	-1.0	-46.38	383.48	4.36	-42.02
CCOC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020234486	0	42	-1.0	-43.69	341.29	4.43	-39.26
CCOC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020234486	1	42	-1.0	-43.70	341.36	4.43	-39.27
CCOC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020234487	0	48	-1.0	-49.24	363.55	6.15	-43.09
CCOC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020234487	1	48	-1.0	-49.24	363.61	6.17	-43.07
CCOC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(F)C=C1C	REAL300020234488	0	47	-1.0	-41.91	400.62	6.98	-34.93
CCOC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(F)C=C1C	REAL300020234488	1	47	-1.0	-41.93	400.68	7.01	-34.92
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(F)C=C1C	REAL300020234489	0	47	-1.0	-43.47	382.37	6.52	-36.95
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(F)C=C1C	REAL300020234489	1	47	-1.0	-43.53	382.43	6.54	-36.99
CCOC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(F)C=C1C	REAL300020234490	0	44	-1.0	-54.36	367.11	5.60	-48.76
CCOC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(F)C=C1C	REAL300020234490	1	44	-1.0	-54.35	367.17	5.62	-48.73
CCOC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(F)C=C1C	REAL300020234491	0	47	-1.0	-45.96	409.23	5.59	-40.37
CCOC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(F)C=C1C	REAL300020234491	1	47	-1.0	-45.96	409.28	5.60	-40.36
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(F)C=C1C	REAL300020234492	0	44	-1.0	-43.45	368.01	5.67	-37.78
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(F)C=C1C	REAL300020234492	1	44	-1.0	-43.47	368.08	5.68	-37.79
CCOC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(F)C=C1C	REAL300020234493	0	50	-1.0	-49.02	390.12	7.40	-41.62
CCOC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(F)C=C1C	REAL300020234493	1	50	-1.0	-49.01	390.18	7.40	-41.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC([N+](=O)[O-])=C1Cl	REAL300020234494	0	37	-1.0	-41.26	340.71	5.94	-35.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC([N+](=O)[O-])=C1Cl	REAL300020234494	1	37	-1.0	-41.24	340.65	5.92	-35.32
O=C(NC1=CC=CC([N+](=O)[O-])=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234495	0	37	-1.0	-42.04	323.12	5.44	-36.60
O=C(NC1=CC=CC([N+](=O)[O-])=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234495	1	37	-1.0	-42.04	323.18	5.46	-36.58
O=C(NC1=CC=CC([N+](=O)[O-])=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020234496	0	34	-1.0	-48.31	306.51	4.53	-43.78
O=C(NC1=CC=CC([N+](=O)[O-])=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020234496	1	34	-1.0	-48.33	306.57	4.55	-43.78
CSCC[C@H](NC(=O)NC1=CC=CC([N+](=O)[O-])=C1Cl)C1=N[N-]N=N1	REAL300020234497	0	37	-1.0	-41.94	350.93	4.52	-37.42
CSCC[C@H](NC(=O)NC1=CC=CC([N+](=O)[O-])=C1Cl)C1=NN=N[N-]1	REAL300020234497	1	37	-1.0	-41.97	350.99	4.54	-37.43
O=C(NC1=CC=CC([N+](=O)[O-])=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020234498	0	34	-1.0	-41.82	308.74	4.60	-37.22
O=C(NC1=CC=CC([N+](=O)[O-])=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020234498	1	34	-1.0	-41.82	308.82	4.61	-37.21
O=C(NC1=CC=CC([N+](=O)[O-])=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020234499	0	40	-1.0	-45.18	330.61	6.34	-38.84
O=C(NC1=CC=CC([N+](=O)[O-])=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020234499	1	40	-1.0	-45.21	330.67	6.34	-38.87
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=NN1CC1=CC=CC=C1F	REAL300020234500	0	47	-1.0	-58.65	388.70	6.36	-52.29
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=NN1CC1=CC=CC=C1F	REAL300020234500	1	47	-1.0	-58.67	388.75	6.37	-52.30
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=NN1CC1=CC=CC=C1F	REAL300020234501	0	44	-1.0	-74.42	373.36	5.48	-68.94
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=NN1CC1=CC=CC=C1F	REAL300020234501	1	44	-1.0	-74.42	373.42	5.51	-68.91
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1CC1=CC=CC=C1F	REAL300020234502	0	44	-1.0	-61.42	374.64	5.54	-55.88
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1CC1=CC=CC=C1F	REAL300020234502	1	44	-1.0	-61.45	374.72	5.55	-55.90
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1CC1=CC=CC=C1F	REAL300020234503	0	50	-1.0	-70.36	397.04	7.27	-63.09
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1CC1=CC=CC=C1F	REAL300020234503	1	50	-1.0	-70.33	397.09	7.28	-63.05
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=NN1CC1=CC=C(F)C=C1	REAL300020234504	0	50	-1.0	-55.61	407.74	7.03	-48.58
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=NN1CC1=CC=C(F)C=C1	REAL300020234504	1	50	-1.0	-55.57	407.79	7.05	-48.52
CCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=NN1CC1=CC=C(F)C=C1	REAL300020234505	0	47	-1.0	-69.58	394.17	6.17	-63.41
CCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=NN1CC1=CC=C(F)C=C1	REAL300020234505	1	47	-1.0	-69.60	394.23	6.19	-63.41
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1CC1=CC=C(F)C=C1	REAL300020234506	0	47	-1.0	-57.11	395.33	6.21	-50.90
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1CC1=CC=C(F)C=C1	REAL300020234506	1	47	-1.0	-57.09	395.40	6.23	-50.86
O=C(NC1=CC=C2SCCN(CC(F)F)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234507	0	45	-1.0	-52.77	371.20	4.86	-47.91
O=C(NC1=CC=C2SCCN(CC(F)F)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234507	1	45	-1.0	-52.74	371.26	4.87	-47.87
O=C(NC1=CC=C2SCCN(CC(F)F)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234508	0	45	-1.0	-50.40	366.25	4.44	-45.96
O=C(NC1=CC=C2SCCN(CC(F)F)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234508	1	45	-1.0	-50.36	366.33	4.45	-45.91
COC(=O)C1=CN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)N=N1	REAL300020234509	0	47	-1.0	-54.13	394.22	4.72	-49.41
COC(=O)C1=CN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)N=N1	REAL300020234509	1	47	-1.0	-54.16	394.16	4.71	-49.45
COC(=O)C1=CN(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)N=N1	REAL300020234510	0	44	-1.0	-71.92	378.82	3.81	-68.11
COC(=O)C1=CN(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)N=N1	REAL300020234510	1	44	-1.0	-71.91	378.77	3.79	-68.12
COC(=O)C1=CN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)N=N1	REAL300020234511	0	44	-1.0	-57.30	380.53	3.83	-53.47
COC(=O)C1=CN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)N=N1	REAL300020234511	1	44	-1.0	-57.34	380.46	3.82	-53.52
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(S(C)(=O)=O)=C1	REAL300020234512	0	44	-1.0	-47.65	378.80	3.72	-43.93
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(S(C)(=O)=O)=C1	REAL300020234512	1	44	-1.0	-47.70	378.74	3.69	-44.01
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(S(C)(=O)=O)=C1	REAL300020234513	0	44	-1.0	-47.38	359.76	3.18	-44.20
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(S(C)(=O)=O)=C1	REAL300020234513	1	44	-1.0	-47.38	359.82	3.20	-44.18
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(S(C)(=O)=O)=C1	REAL300020234514	0	41	-1.0	-51.54	343.42	2.23	-49.31
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(S(C)(=O)=O)=C1	REAL300020234514	1	41	-1.0	-51.53	343.47	2.26	-49.27
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL300020234515	0	44	-1.0	-45.93	386.94	2.19	-43.74
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL300020234515	1	44	-1.0	-45.93	387.00	2.21	-43.72
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(S(C)(=O)=O)=C1	REAL300020234516	0	41	-1.0	-45.49	345.73	2.34	-43.15
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(S(C)(=O)=O)=C1	REAL300020234516	1	41	-1.0	-45.45	345.80	2.36	-43.09
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(S(C)(=O)=O)=C1	REAL300020234517	0	47	-1.0	-48.86	367.26	4.14	-44.72
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(S(C)(=O)=O)=C1	REAL300020234517	1	47	-1.0	-48.87	367.31	4.14	-44.73
CC(C)C(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020234518	0	46	-1.0	-54.33	385.14	6.69	-47.64
CC(C)C(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020234518	1	46	-1.0	-54.33	385.08	6.67	-47.66
CC(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020234519	0	46	-1.0	-44.53	365.09	6.15	-38.38
CC(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020234519	1	46	-1.0	-44.56	365.15	6.17	-38.39
CC(C)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020234520	0	43	-1.0	-57.78	350.97	5.20	-52.58
CC(C)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020234520	1	43	-1.0	-57.78	351.03	5.22	-52.56
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)C(C)C)C=C1)C1=N[N-]N=N1	REAL300020234521	0	46	-1.0	-54.86	394.64	5.17	-49.69
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)C(C)C)C=C1)C1=NN=N[N-]1	REAL300020234521	1	46	-1.0	-54.86	394.70	5.19	-49.67
CC(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020234522	0	43	-1.0	-43.98	352.37	5.26	-38.72
CC(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020234522	1	43	-1.0	-43.93	352.44	5.27	-38.66
CC(C)C(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020234523	0	49	-1.0	-48.51	374.43	7.06	-41.45
CC(C)C(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020234523	1	49	-1.0	-48.53	374.47	7.07	-41.46
CC(C)OC1=NC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234524	0	44	-1.0	-40.15	387.04	3.99	-36.16
CC(C)OC1=NC=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234524	1	44	-1.0	-40.15	386.98	3.97	-36.18
CC(C)OC1=NC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234525	0	44	-1.0	-41.28	369.01	3.51	-37.77
CC(C)OC1=NC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234525	1	44	-1.0	-41.29	368.95	3.50	-37.79
CC(C)OC1=NC=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234526	0	41	-1.0	-50.56	352.95	2.59	-47.97
CC(C)OC1=NC=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234526	1	41	-1.0	-50.60	352.89	2.58	-48.02
CSCC[C@H](NC(=O)NC1=CC(Cl)=CN=C1OC(C)C)C1=NN=N[N-]1	REAL300020234527	0	44	-1.0	-44.27	396.48	2.54	-41.73
CSCC[C@H](NC(=O)NC1=CC(Cl)=CN=C1OC(C)C)C1=N[N-]N=N1	REAL300020234527	1	44	-1.0	-44.30	396.43	2.53	-41.77
CC(C)OC1=NC=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234528	0	41	-1.0	-41.41	354.32	2.66	-38.75
CC(C)OC1=NC=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234528	1	41	-1.0	-41.41	354.25	2.64	-38.77
CC(C)OC1=NC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234529	0	47	-1.0	-41.81	383.09	3.69	-38.12
CC(C)OC1=NC=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234529	1	47	-1.0	-41.78	383.03	3.69	-38.09
CC(C)C1=C(C2=CC=CC=C2)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020234530	0	50	-1.0	-49.26	407.64	8.44	-40.82
CC(C)C1=C(C2=CC=CC=C2)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020234530	1	50	-1.0	-49.27	407.59	8.42	-40.85
CC(C)C1=C(C2=CC=CC=C2)N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020234531	0	47	-1.0	-61.80	392.45	7.52	-54.28
CC(C)C1=C(C2=CC=CC=C2)N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020234531	1	47	-1.0	-61.79	392.39	7.51	-54.28
CC(C)C1=C(C2=CC=CC=C2)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020234532	0	47	-1.0	-50.26	395.60	7.66	-42.60
CC(C)C1=C(C2=CC=CC=C2)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020234532	1	47	-1.0	-50.21	395.52	7.65	-42.56
CC1=C(CC2=CC=CC(F)=C2)SC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234533	0	44	-1.0	-61.79	378.86	6.96	-54.83
CC1=C(CC2=CC=CC(F)=C2)SC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020234533	1	44	-1.0	-61.83	378.92	6.97	-54.86
CC1=C(CC2=CC=CC(F)=C2)SC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234534	0	44	-1.0	-50.89	380.33	7.03	-43.86
CC1=C(CC2=CC=CC(F)=C2)SC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020234534	1	44	-1.0	-50.88	380.40	7.04	-43.84
CC1=C(CC2=CC=CC=C2F)SC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234535	0	44	-1.0	-59.93	378.52	6.95	-52.98
CC1=C(CC2=CC=CC=C2F)SC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020234535	1	44	-1.0	-59.92	378.58	6.97	-52.95
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234535	1	43	-2.0	-120.21	381.06	6.05	-114.16
CC1=C(CC2=CC=CC=C2F)SC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234536	0	44	-1.0	-49.37	383.88	7.17	-42.20
CC1=C(CC2=CC=CC=C2F)SC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020234536	1	44	-1.0	-49.35	383.96	7.18	-42.17
CCN1N=NN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234537	0	36	-1.0	-48.22	317.89	4.26	-43.96
CCN1N=NN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234537	1	36	-1.0	-48.17	317.83	4.23	-43.94
CCN1N=NN=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020234538	0	36	-1.0	-52.91	326.87	2.83	-50.08
CCN1N=NN=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020234538	1	36	-1.0	-52.92	326.81	2.82	-50.10
CCN1N=NN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234539	0	39	-1.0	-58.28	306.93	4.64	-53.64
CCN1N=NN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234539	1	39	-1.0	-58.23	306.88	4.64	-53.59
CC1=NC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C2O1	REAL300020234540	0	40	-1.0	-44.07	345.89	2.46	-41.61
CC1=NC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C2O1	REAL300020234540	1	40	-1.0	-43.97	345.83	2.43	-41.54
CC1=NC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C2O1	REAL300020234541	0	40	-1.0	-45.04	326.35	1.97	-43.07
CC1=NC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C2O1	REAL300020234541	1	40	-1.0	-45.06	326.41	1.99	-43.07
CC1=NC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C2O1	REAL300020234542	0	37	-1.0	-54.63	312.19	1.05	-53.58
CC1=NC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C2O1	REAL300020234542	1	37	-1.0	-54.62	312.25	1.08	-53.54
CSCC[C@H](NC(=O)NC1=C2N=C(C)OC2=CC=C1)C1=N[N-]N=N1	REAL300020234543	0	40	-1.0	-48.29	355.73	1.02	-47.27
CSCC[C@H](NC(=O)NC1=C2N=C(C)OC2=CC=C1)C1=NN=N[N-]1	REAL300020234543	1	40	-1.0	-48.26	355.79	1.04	-47.22
CC1=NC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C2O1	REAL300020234544	0	37	-1.0	-45.49	313.56	1.10	-44.39
CC1=NC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C2O1	REAL300020234544	1	37	-1.0	-45.49	313.64	1.11	-44.38
CC1=NC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2O1	REAL300020234545	0	43	-1.0	-51.84	335.45	2.96	-48.88
CC1=NC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2O1	REAL300020234545	1	43	-1.0	-51.87	335.50	2.97	-48.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C(Cl)N=CC=C12	REAL300020234546	0	40	-1.0	-52.45	355.01	5.75	-46.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C(Cl)N=CC=C12	REAL300020234546	1	40	-1.0	-52.47	354.95	5.72	-46.75
O=C(NC1=CC=CC2=C(Cl)N=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234547	0	40	-1.0	-43.21	335.57	5.27	-37.94
O=C(NC1=CC=CC2=C(Cl)N=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234547	1	40	-1.0	-43.20	335.51	5.25	-37.95
O=C(NC1=CC=CC2=C(Cl)N=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300020234548	0	37	-1.0	-51.39	320.92	4.36	-47.03
O=C(NC1=CC=CC2=C(Cl)N=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300020234548	1	37	-1.0	-51.40	320.86	4.34	-47.06
CSCC[C@H](NC(=O)NC1=CC=CC2=C(Cl)N=CC=C12)C1=NN=N[N-]1	REAL300020234549	0	40	-1.0	-46.02	364.44	4.33	-41.69
CSCC[C@H](NC(=O)NC1=CC=CC2=C(Cl)N=CC=C12)C1=N[N-]N=N1	REAL300020234549	1	40	-1.0	-46.02	364.39	4.31	-41.71
O=C(NC1=CC=CC2=C(Cl)N=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020234550	0	37	-1.0	-43.44	323.25	4.43	-39.01
O=C(NC1=CC=CC2=C(Cl)N=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020234550	1	37	-1.0	-43.45	323.18	4.42	-39.03
O=C(NC1=CC=CC2=C(Cl)N=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020234551	0	43	-1.0	-47.93	345.17	6.16	-41.77
O=C(NC1=CC=CC2=C(Cl)N=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020234551	1	43	-1.0	-47.93	345.11	6.16	-41.77
O=C([N-]C1=C2C=CC=CC2=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234552	0	36	-2.0	-85.37	332.04	3.71	-81.66
O=C([N-]C1=C2C=CC=CC2=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234552	1	36	-2.0	-85.37	331.99	3.69	-81.68
O=C(NC1=C2C=CC=CC2=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234552	1	37	-1.0	-43.45	334.72	4.88	-38.57
O=C(NC1=C2C=CC=CC2=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234552	1	37	-1.0	-43.41	334.66	4.86	-38.55
O=C(NC1=C2C=CC=CC2=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234553	0	37	-1.0	-44.83	315.53	4.42	-40.41
O=C(NC1=C2C=CC=CC2=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234553	1	37	-1.0	-44.80	315.48	4.41	-40.39
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234553	1	36	-2.0	-87.55	315.09	3.60	-83.95
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234553	1	36	-2.0	-87.51	315.03	3.58	-83.93
O=C(NC1=C2C=CC=CC2=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020234554	0	34	-1.0	-54.63	300.08	3.50	-51.13
O=C(NC1=C2C=CC=CC2=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020234554	1	34	-1.0	-54.57	300.02	3.49	-51.08
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020234554	1	33	-2.0	-108.96	299.22	2.45	-106.51
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020234554	1	33	-2.0	-108.95	299.28	2.47	-106.48
CSCC[C@H](NC(=O)NC1=C2C=CC=CC2=NS1)C1=NN=N[N-]1	REAL300020234555	0	37	-1.0	-47.53	343.70	3.47	-44.06
CSCC[C@H](NC(=O)NC1=C2C=CC=CC2=NS1)C1=N[N-]N=N1	REAL300020234555	1	37	-1.0	-47.50	343.65	3.45	-44.05
O=C(NC1=C2C=CC=CC2=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234556	0	34	-1.0	-44.91	301.57	3.54	-41.37
O=C(NC1=C2C=CC=CC2=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234556	1	34	-1.0	-44.96	301.50	3.53	-41.43
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234556	1	33	-2.0	-88.37	300.03	2.52	-85.85
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234556	1	33	-2.0	-88.37	299.95	2.51	-85.86
O=C(NC1=C2C=CC=CC2=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234557	0	40	-1.0	-51.33	324.02	5.29	-46.04
O=C(NC1=C2C=CC=CC2=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234557	1	40	-1.0	-51.35	323.96	5.27	-46.08
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234557	1	39	-2.0	-93.98	328.32	4.18	-89.80
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234557	1	39	-2.0	-93.98	328.26	4.15	-89.83
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234558	0	44	-2.0	-92.26	388.26	1.86	-90.40
CC1=CC(CNC(=O)C(F)(F)F)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234558	1	45	-1.0	-56.79	391.29	3.49	-53.30
CC1=CC(CNC(=O)C(F)(F)F)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234558	1	45	-1.0	-56.78	391.23	3.47	-53.31
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234558	1	44	-2.0	-92.27	388.32	1.88	-90.39
CC1=CC(CNC(=O)C(F)(F)F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234559	0	45	-1.0	-45.50	392.70	3.54	-41.96
CC1=CC(CNC(=O)C(F)(F)F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234559	1	45	-1.0	-45.52	392.63	3.53	-41.99
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234559	1	44	-2.0	-94.31	389.69	1.92	-92.39
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234559	1	44	-2.0	-94.31	389.76	1.93	-92.38
CC1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234560	0	33	-2.0	-84.82	306.63	2.03	-82.79
CC1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234560	1	33	-2.0	-84.84	306.57	2.00	-82.84
CC1=NSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234560	1	34	-1.0	-43.05	309.88	3.20	-39.85
CC1=NSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234560	1	34	-1.0	-43.06	309.83	3.17	-39.89
CSCC[C@H](NC(=O)NC1=CC(C)=NS1)C1=N[N-]N=N1	REAL300020234561	0	34	-1.0	-47.35	318.81	1.77	-45.58
CSCC[C@H](NC(=O)NC1=CC(C)=NS1)C1=NN=N[N-]1	REAL300020234561	1	34	-1.0	-47.36	318.86	1.78	-45.58
CC1=NSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234562	0	37	-1.0	-50.48	298.87	3.58	-46.90
CC1=NSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234562	1	37	-1.0	-50.49	298.93	3.59	-46.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1C=CNC2=O	REAL300020234563	0	41	-1.0	-59.60	350.49	4.15	-55.45
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1C=CNC2=O	REAL300020234563	1	41	-1.0	-59.61	350.43	4.13	-55.48
O=C(NC1=CC=CC2=C1C=CNC2=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234564	0	41	-1.0	-47.51	330.71	3.65	-43.86
O=C(NC1=CC=CC2=C1C=CNC2=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234564	1	41	-1.0	-47.48	330.76	3.67	-43.81
O=C(NC1=CC=CC2=C1C=CNC2=O)N1CCCC1C1=N[N-]N=N1	REAL300020234565	0	38	-1.0	-57.63	316.31	2.75	-54.88
O=C(NC1=CC=CC2=C1C=CNC2=O)N1CCCC1C1=NN=N[N-]1	REAL300020234565	1	38	-1.0	-57.61	316.36	2.76	-54.85
CSCC[C@H](NC(=O)NC1=CC=CC2=C1C=CNC2=O)C1=N[N-]N=N1	REAL300020234566	0	41	-1.0	-52.69	359.83	2.71	-49.98
CSCC[C@H](NC(=O)NC1=CC=CC2=C1C=CNC2=O)C1=NN=N[N-]1	REAL300020234566	1	41	-1.0	-52.68	359.89	2.72	-49.96
O=C(NC1=CC=CC2=C1C=CNC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234567	0	38	-1.0	-49.28	317.67	2.79	-46.49
O=C(NC1=CC=CC2=C1C=CNC2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234567	1	38	-1.0	-49.33	317.75	2.81	-46.52
O=C(NC1=CC=CC2=C1C=CNC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234568	0	44	-1.0	-54.27	340.51	4.55	-49.72
O=C(NC1=CC=CC2=C1C=CNC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234568	1	44	-1.0	-54.34	340.57	4.55	-49.79
CS(C)(=O)=NC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234569	0	45	-1.0	-57.23	383.33	3.30	-53.93
CS(C)(=O)=NC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234569	1	45	-1.0	-57.23	383.27	3.28	-53.95
CS(C)(=O)=NC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234570	0	45	-1.0	-58.57	364.30	2.80	-55.77
CS(C)(=O)=NC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234570	1	45	-1.0	-58.62	364.35	2.82	-55.80
CS(C)(=O)=NC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234571	0	42	-1.0	-73.70	348.18	1.89	-71.81
CS(C)(=O)=NC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234571	1	42	-1.0	-73.69	348.24	1.92	-71.77
CSCC[C@H](NC(=O)NC1=CC=CC=C1N=S(C)(C)=O)C1=N[N-]N=N1	REAL300020234572	0	45	-1.0	-64.99	391.70	1.84	-63.15
CSCC[C@H](NC(=O)NC1=CC=CC=C1N=S(C)(C)=O)C1=NN=N[N-]1	REAL300020234572	1	45	-1.0	-64.99	391.76	1.86	-63.13
CS(C)(=O)=NC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234573	0	42	-1.0	-60.62	350.36	1.94	-58.68
CS(C)(=O)=NC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234573	1	42	-1.0	-60.57	350.44	1.94	-58.63
CS(C)(=O)=NC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234574	0	48	-1.0	-60.51	376.09	3.01	-57.50
CS(C)(=O)=NC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234574	1	48	-1.0	-60.48	376.11	3.02	-57.46
CS(=O)(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020234575	0	41	-1.0	-71.59	368.31	2.28	-69.31
CS(=O)(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020234575	1	41	-1.0	-71.58	368.37	2.31	-69.27
CS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020234576	0	41	-1.0	-47.99	349.30	1.81	-46.18
CS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020234576	1	41	-1.0	-48.01	349.36	1.83	-46.18
CS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020234577	0	38	-1.0	-55.89	333.57	0.95	-54.94
CS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020234577	1	38	-1.0	-55.91	333.63	0.96	-54.95
CSCC[C@H](NC(=O)NC1=CC=C(F)C(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020234578	0	41	-1.0	-62.24	377.34	0.88	-61.36
CSCC[C@H](NC(=O)NC1=CC=C(F)C(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020234578	1	41	-1.0	-62.22	377.40	0.89	-61.33
CS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020234579	0	38	-1.0	-56.45	334.91	0.99	-55.46
CS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020234579	1	38	-1.0	-56.46	334.99	1.00	-55.46
CS(=O)(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020234580	0	44	-1.0	-49.02	361.66	2.02	-47.00
CS(=O)(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020234580	1	44	-1.0	-49.04	361.70	2.02	-47.02
N#CC1=CC=CC=C1SC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020234581	0	44	-1.0	-62.56	386.75	7.66	-54.90
N#CC1=CC=CC=C1SC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020234581	1	44	-1.0	-62.60	386.80	7.68	-54.92
N#CC1=CC=CC=C1SC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020234582	0	44	-1.0	-50.93	388.25	7.71	-43.22
N#CC1=CC=CC=C1SC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020234582	1	44	-1.0	-50.94	388.32	7.72	-43.22
O=C(NC1=CC=CC(C2=CC=C(F)C(F)=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234583	0	45	-1.0	-45.13	370.79	7.86	-37.27
O=C(NC1=CC=CC(C2=CC=C(F)C(F)=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234583	1	45	-1.0	-45.12	370.84	7.87	-37.25
O=C(NC1=CC=CC(C2=CC=C(F)C(F)=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234584	0	42	-1.0	-53.62	355.70	6.89	-46.73
O=C(NC1=CC=CC(C2=CC=C(F)C(F)=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234584	1	42	-1.0	-53.60	355.76	6.91	-46.69
O=C(NC1=CC=CC(C2=CC=C(F)C(F)=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234585	0	42	-1.0	-45.80	357.04	6.96	-38.84
O=C(NC1=CC=CC(C2=CC=C(F)C(F)=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234585	1	42	-1.0	-45.83	357.11	6.96	-38.87
O=C(NC1=CC=CC(C2=CC=C(F)C(F)=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234586	0	48	-1.0	-40.44	385.40	8.01	-32.43
O=C(NC1=CC=CC(C2=CC=C(F)C(F)=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234586	1	48	-1.0	-40.46	385.46	8.03	-32.43
CC(C)(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020234587	0	42	-2.0	-87.82	365.07	4.33	-83.49
CC(C)(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020234587	1	42	-2.0	-87.82	365.02	4.31	-83.51
CC(C)(C)C1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020234587	1	43	-1.0	-40.05	368.35	5.53	-34.52
CC(C)(C)C1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020234587	1	43	-1.0	-40.02	368.29	5.51	-34.51
CC(C)(C)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020234588	0	43	-1.0	-41.79	349.16	5.08	-36.71
CC(C)(C)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020234588	1	43	-1.0	-41.80	349.11	5.06	-36.74
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020234588	1	42	-2.0	-89.96	348.09	4.22	-85.74
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020234588	1	42	-2.0	-89.95	348.03	4.21	-85.74
CC(C)(C)C1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020234589	0	40	-1.0	-48.88	333.70	4.15	-44.73
CC(C)(C)C1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234589	1	40	-1.0	-48.87	333.64	4.13	-44.74
CC(C)(C)C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234589	1	39	-2.0	-110.30	332.24	3.09	-107.21
CC(C)(C)C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020234589	1	39	-2.0	-110.32	332.30	3.12	-107.20
CSCC[C@H](NC(=O)NC1=NC(C(C)(C)C)=CS1)C1=NN=N[N-]1	REAL300020234590	0	43	-1.0	-43.15	377.31	4.12	-39.03
CSCC[C@H](NC(=O)NC1=NC(C(C)(C)C)=CS1)C1=N[N-]N=N1	REAL300020234590	1	43	-1.0	-43.10	377.25	4.10	-39.00
CC(C)(C)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020234591	0	40	-1.0	-40.38	335.18	4.19	-36.19
CC(C)(C)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234591	1	40	-1.0	-40.40	335.11	4.18	-36.22
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020234591	1	39	-2.0	-90.21	333.05	3.15	-87.06
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234591	1	39	-2.0	-90.28	332.97	3.13	-87.15
CC(C)(C)C1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020234592	0	46	-1.0	-45.32	357.56	5.93	-39.39
CC(C)(C)C1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020234592	1	46	-1.0	-45.36	357.53	5.92	-39.44
CC(C)(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020234592	1	45	-2.0	-106.96	356.70	5.21	-101.75
CC(C)(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020234592	1	45	-2.0	-106.97	356.66	5.18	-101.79
O=C(NC1=NC2=C(CC3(CCOCC3)CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020234593	0	49	-1.0	-60.43	380.12	4.69	-55.74
O=C(NC1=NC2=C(CC3(CCOCC3)CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020234593	1	49	-1.0	-60.45	380.18	4.71	-55.74
O=C([N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020234593	1	48	-2.0	-119.36	378.49	3.63	-115.73
O=C(NC1=NC2=C(CC3(CCOCC3)CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234594	0	49	-1.0	-48.81	381.34	4.75	-44.06
O=C(NC1=NC2=C(CC3(CCOCC3)CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234594	1	49	-1.0	-48.80	381.41	4.75	-44.05
O=C(NC1=CC=CC2=C(Br)C=CN=C12)N1CCCC1C1=NN=N[N-]1	REAL300020234595	0	37	-1.0	-54.04	327.75	4.47	-49.57
O=C(NC1=CC=CC2=C(Br)C=CN=C12)N1CCCC1C1=N[N-]N=N1	REAL300020234595	1	37	-1.0	-54.05	327.69	4.45	-49.60
O=C(NC1=CC=CC2=C(Br)C=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020234596	0	37	-1.0	-43.76	329.12	4.51	-39.25
O=C(NC1=CC=CC2=C(Br)C=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020234596	1	37	-1.0	-43.76	329.05	4.50	-39.26
COC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234597	0	39	-1.0	-54.67	346.24	4.71	-49.96
COC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234597	1	39	-1.0	-54.63	346.19	4.69	-49.94
COC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234598	0	39	-1.0	-44.77	328.66	4.21	-40.56
COC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234598	1	39	-1.0	-44.77	328.71	4.23	-40.54
COC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234599	0	36	-1.0	-56.53	312.95	3.32	-53.21
COC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234599	1	36	-1.0	-56.50	313.01	3.35	-53.15
COC1=CC=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020234600	0	39	-1.0	-49.28	355.58	3.26	-46.02
COC1=CC=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020234600	1	39	-1.0	-49.26	355.63	3.27	-45.99
COC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234601	0	36	-1.0	-44.70	314.30	3.37	-41.33
COC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234601	1	36	-1.0	-44.74	314.37	3.38	-41.36
COC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234602	0	42	-1.0	-50.35	336.21	5.11	-45.24
COC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234602	1	42	-1.0	-50.32	336.27	5.11	-45.21
CC(C)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020234603	0	40	-1.0	-40.71	348.88	4.04	-36.67
CC(C)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020234603	1	40	-1.0	-40.69	348.82	4.02	-36.67
CC(C)C1=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020234603	1	39	-2.0	-83.46	347.56	3.01	-80.45
CC(C)C1=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020234603	1	39	-2.0	-83.47	347.51	2.99	-80.48
CC(C)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=N1	REAL300020234604	0	40	-1.0	-42.00	329.63	3.57	-38.43
CC(C)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=N1	REAL300020234604	1	40	-1.0	-42.00	329.69	3.58	-38.42
CC(C)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)SC=N1	REAL300020234605	0	37	-1.0	-50.48	314.19	2.63	-47.85
CC(C)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)SC=N1	REAL300020234605	1	37	-1.0	-50.48	314.25	2.65	-47.83
CSCC[C@H](NC(=O)NC1=C(C(C)C)N=CS1)C1=N[N-]N=N1	REAL300020234606	0	40	-1.0	-44.23	357.81	2.61	-41.62
CSCC[C@H](NC(=O)NC1=C(C(C)C)N=CS1)C1=NN=N[N-]1	REAL300020234606	1	40	-1.0	-44.20	357.86	2.63	-41.57
CC(C)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020234607	0	37	-1.0	-41.82	315.66	2.69	-39.13
CC(C)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020234607	1	37	-1.0	-41.83	315.74	2.70	-39.13
CC(C)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020234608	0	43	-1.0	-46.88	338.20	4.56	-42.32
CC(C)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020234608	1	43	-1.0	-46.94	338.25	4.56	-42.38
CC(C)(C)OC(=O)N1CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C1	REAL300020234609	0	53	-1.0	-55.55	419.82	5.70	-49.85
CC(C)(C)OC(=O)N1CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C1	REAL300020234609	1	53	-1.0	-55.55	419.87	5.73	-49.82
CC(C)(C)OC(=O)N1CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1	REAL300020234610	0	53	-1.0	-45.66	421.05	5.77	-39.89
CC(C)(C)OC(=O)N1CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1	REAL300020234610	1	53	-1.0	-45.65	421.12	5.78	-39.87
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(C=N1)OCCC2	REAL300020234611	0	42	-1.0	-47.70	353.07	5.11	-42.59
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(C=N1)OCCC2	REAL300020234611	1	42	-1.0	-47.64	353.01	5.08	-42.56
O=C(NC1=CC2=C(C=N1)OCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234612	0	42	-1.0	-42.74	330.97	3.98	-38.76
O=C(NC1=CC2=C(C=N1)OCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234612	1	42	-1.0	-42.70	331.03	3.99	-38.71
O=C(NC1=CC2=C(C=N1)OCCC2)N1CCCC1C1=N[N-]N=N1	REAL300020234613	0	39	-1.0	-62.27	318.49	3.70	-58.57
O=C(NC1=CC2=C(C=N1)OCCC2)N1CCCC1C1=NN=N[N-]1	REAL300020234613	1	39	-1.0	-62.26	318.55	3.72	-58.54
CSCC[C@H](NC(=O)NC1=CC2=C(C=N1)OCCC2)C1=N[N-]N=N1	REAL300020234614	0	42	-1.0	-54.22	362.01	3.67	-50.55
CSCC[C@H](NC(=O)NC1=CC2=C(C=N1)OCCC2)C1=NN=N[N-]1	REAL300020234614	1	42	-1.0	-54.22	362.07	3.68	-50.54
O=C(NC1=CC2=C(C=N1)OCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020234615	0	39	-1.0	-50.88	319.84	3.76	-47.12
O=C(NC1=CC2=C(C=N1)OCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020234615	1	39	-1.0	-50.91	319.92	3.78	-47.13
O=C(NC1=CC2=C(C=N1)OCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020234616	0	45	-1.0	-46.99	337.03	4.93	-42.06
O=C(NC1=CC2=C(C=N1)OCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020234616	1	45	-1.0	-47.00	337.07	4.95	-42.05
COC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1F	REAL300020234617	0	41	-1.0	-44.08	360.62	5.52	-38.56
COC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1F	REAL300020234617	1	41	-1.0	-44.11	360.56	5.49	-38.62
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1F	REAL300020234618	0	41	-1.0	-45.16	343.08	5.00	-40.16
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1F	REAL300020234618	1	41	-1.0	-45.19	343.14	5.02	-40.17
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1F	REAL300020234619	0	38	-1.0	-52.92	326.54	4.12	-48.80
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1F	REAL300020234619	1	38	-1.0	-52.89	326.60	4.13	-48.76
COC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1F	REAL300020234620	0	41	-1.0	-46.22	370.87	4.08	-42.14
COC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1F	REAL300020234620	1	41	-1.0	-46.20	370.92	4.10	-42.10
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020234621	0	38	-1.0	-45.06	328.72	4.17	-40.89
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020234621	1	38	-1.0	-45.05	328.79	4.18	-40.87
COC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020234622	0	44	-1.0	-49.86	350.61	5.90	-43.96
COC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020234622	1	44	-1.0	-49.90	350.67	5.90	-44.00
CC1=CC(Br)=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234623	0	37	-1.0	-61.99	342.24	5.62	-56.37
CC1=CC(Br)=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234623	1	37	-1.0	-62.00	342.30	5.65	-56.35
CC1=CC(Br)=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234624	0	37	-1.0	-42.32	320.33	4.53	-37.79
CC1=CC(Br)=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234624	1	37	-1.0	-42.36	320.39	4.55	-37.81
CC1=CC(Br)=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234625	0	34	-1.0	-61.50	307.54	4.26	-57.24
CC1=CC(Br)=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234625	1	34	-1.0	-61.46	307.60	4.27	-57.19
CSCC[C@H](NC(=O)NC1=CC(C)=CC(Br)=N1)C1=N[N-]N=N1	REAL300020234626	0	37	-1.0	-53.67	351.24	4.22	-49.45
CSCC[C@H](NC(=O)NC1=CC(C)=CC(Br)=N1)C1=NN=N[N-]1	REAL300020234626	1	37	-1.0	-53.60	351.30	4.23	-49.37
CC1=CC(Br)=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234627	0	34	-1.0	-50.43	309.08	4.33	-46.10
CC1=CC(Br)=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234627	1	34	-1.0	-50.43	309.16	4.34	-46.09
CC1=CC(Br)=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234628	0	40	-1.0	-43.75	326.26	5.47	-38.28
CC1=CC(Br)=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234628	1	40	-1.0	-43.73	326.30	5.49	-38.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN2N=CN=C2C=C1	REAL300020234629	0	37	-1.0	-44.83	328.26	5.22	-39.61
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN2N=CN=C2C=C1	REAL300020234629	1	37	-1.0	-44.81	328.20	5.19	-39.62
O=C(NC1=CN2N=CN=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234630	0	37	-1.0	-45.12	303.83	4.61	-40.51
O=C(NC1=CN2N=CN=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234630	1	37	-1.0	-45.12	303.77	4.60	-40.52
CSCC[C@H](NC(=O)NC1=CN2N=CN=C2C=C1)C1=NN=N[N-]1	REAL300020234631	0	37	-1.0	-46.81	336.88	3.82	-42.99
CSCC[C@H](NC(=O)NC1=CN2N=CN=C2C=C1)C1=N[N-]N=N1	REAL300020234631	1	37	-1.0	-46.81	336.82	3.80	-43.01
O=C(NC1=CN2N=CN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234632	0	40	-1.0	-41.73	318.45	4.89	-36.84
O=C(NC1=CN2N=CN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234632	1	40	-1.0	-41.73	318.41	4.89	-36.84
N#CCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234633	0	39	-1.0	-58.19	345.41	5.97	-52.22
N#CCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234633	1	39	-1.0	-58.18	345.35	5.94	-52.24
N#CCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234634	0	39	-1.0	-50.52	326.42	5.46	-45.06
N#CCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234634	1	39	-1.0	-50.54	326.48	5.47	-45.07
CSCC[C@H](NC(=O)NC1=CC=CC(CC#N)=C1)C1=N[N-]N=N1	REAL300020234635	0	39	-1.0	-50.31	354.26	4.54	-45.77
CSCC[C@H](NC(=O)NC1=CC=CC(CC#N)=C1)C1=NN=N[N-]1	REAL300020234635	1	39	-1.0	-50.28	354.32	4.55	-45.73
N#CCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234636	0	42	-1.0	-48.38	340.78	5.64	-42.74
N#CCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234636	1	42	-1.0	-48.39	340.84	5.66	-42.73
CCSCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020234637	0	45	-1.0	-54.46	390.90	7.53	-46.93
CCSCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020234637	1	45	-1.0	-54.48	390.84	7.50	-46.98
CCSCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020234638	0	45	-1.0	-44.66	371.85	7.05	-37.61
CCSCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020234638	1	45	-1.0	-44.73	371.91	7.07	-37.66
CCSCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020234639	0	42	-1.0	-53.42	356.34	6.14	-47.28
CCSCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020234639	1	42	-1.0	-53.41	356.40	6.15	-47.26
CCSCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020234640	0	45	-1.0	-49.54	399.87	6.10	-43.44
CCSCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020234640	1	45	-1.0	-49.53	399.93	6.11	-43.42
CCSCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020234641	0	42	-1.0	-44.57	357.46	6.22	-38.35
CCSCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020234641	1	42	-1.0	-44.58	357.53	6.23	-38.35
CCSCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020234642	0	48	-1.0	-52.05	379.63	7.97	-44.08
CCSCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020234642	1	48	-1.0	-52.05	379.68	7.98	-44.07
CC(C)(C)OC(=O)NCC1=CC=CN=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234643	0	51	-1.0	-58.71	409.47	3.63	-55.08
CC(C)(C)OC(=O)NCC1=CC=CN=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234643	1	51	-1.0	-58.75	409.41	3.61	-55.14
CC(C)(C)OC(=O)NCC1=CC=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234644	0	51	-1.0	-48.57	410.96	3.67	-44.90
CC(C)(C)OC(=O)NCC1=CC=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234644	1	51	-1.0	-48.57	410.88	3.66	-44.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCCC2=N1	REAL300020234645	0	41	-1.0	-47.82	344.63	6.37	-41.45
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCCC2=N1	REAL300020234645	1	41	-1.0	-47.82	344.57	6.34	-41.48
O=C(NC1=CC=C2CCCC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234646	0	41	-1.0	-44.32	322.89	5.24	-39.08
O=C(NC1=CC=C2CCCC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234646	1	41	-1.0	-44.33	322.95	5.26	-39.07
CSCC[C@H](NC(=O)NC1=CC=C2CCCC2=N1)C1=N[N-]N=N1	REAL300020234647	0	41	-1.0	-54.78	353.83	4.89	-49.89
CSCC[C@H](NC(=O)NC1=CC=C2CCCC2=N1)C1=NN=N[N-]1	REAL300020234647	1	41	-1.0	-54.77	353.89	4.90	-49.87
O=C(NC1=CC=C2CCCC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234648	0	44	-1.0	-57.63	334.22	6.67	-50.96
O=C(NC1=CC=C2CCCC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234648	1	44	-1.0	-57.67	334.28	6.69	-50.98
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(S(C)(=O)=O)=C1	REAL300020234649	0	45	-1.0	-51.86	364.95	1.58	-50.28
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(S(C)(=O)=O)=C1	REAL300020234649	1	45	-1.0	-51.89	365.01	1.60	-50.29
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(S(C)(=O)=O)=C1	REAL300020234650	0	42	-1.0	-51.29	351.47	0.85	-50.44
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(S(C)(=O)=O)=C1	REAL300020234650	1	42	-1.0	-51.30	351.53	0.88	-50.42
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(S(C)(=O)=O)=C1	REAL300020234651	0	42	-1.0	-46.06	352.83	0.92	-45.14
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(S(C)(=O)=O)=C1	REAL300020234651	1	42	-1.0	-46.06	352.90	0.93	-45.13
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(S(C)(=O)=O)=C1	REAL300020234652	0	48	-1.0	-48.89	375.33	2.77	-46.12
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(S(C)(=O)=O)=C1	REAL300020234652	1	48	-1.0	-48.92	375.38	2.78	-46.14
CCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020234653	0	46	-1.0	-57.60	390.04	1.91	-55.69
CCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020234653	1	46	-1.0	-57.62	390.09	1.94	-55.68
CCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020234654	0	46	-1.0	-46.47	391.96	1.95	-44.52
CCCS(=O)(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020234654	1	46	-1.0	-46.51	392.03	1.96	-44.55
COC1=C(F)C(OC)=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234655	0	43	-1.0	-40.47	380.29	3.83	-36.64
COC1=C(F)C(OC)=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234655	1	43	-1.0	-40.45	380.34	3.86	-36.59
COC1=C(F)C(OC)=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234656	0	43	-1.0	-42.54	361.56	3.35	-39.19
COC1=C(F)C(OC)=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234656	1	43	-1.0	-42.56	361.62	3.36	-39.20
COC1=C(F)C(OC)=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234657	0	40	-1.0	-50.79	346.94	2.43	-48.36
COC1=C(F)C(OC)=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234657	1	40	-1.0	-50.83	347.00	2.45	-48.38
COC1=C(F)C(OC)=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020234658	0	43	-1.0	-44.52	390.47	2.41	-42.11
COC1=C(F)C(OC)=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020234658	1	43	-1.0	-44.58	390.52	2.42	-42.16
COC1=C(F)C(OC)=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234659	0	40	-1.0	-41.59	348.31	2.48	-39.11
COC1=C(F)C(OC)=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234659	1	40	-1.0	-41.59	348.38	2.50	-39.09
COC1=C(F)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=C1F	REAL300020234660	0	46	-1.0	-41.58	376.21	3.55	-38.03
COC1=C(F)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=C1F	REAL300020234660	1	46	-1.0	-41.58	376.26	3.56	-38.02
O=C([N-]C1=NC=C(C2CCOCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234661	0	44	-2.0	-91.89	382.31	3.87	-88.02
O=C([N-]C1=NC=C(C2CCOCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234661	1	44	-2.0	-91.90	382.25	3.84	-88.06
O=C(NC1=NC=C(C2CCOCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234661	1	45	-1.0	-45.47	385.56	5.07	-40.40
O=C(NC1=NC=C(C2CCOCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234661	1	45	-1.0	-45.47	385.51	5.04	-40.43
O=C(NC1=NC=C(C2CCOCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234662	0	45	-1.0	-47.56	366.35	4.57	-42.99
O=C(NC1=NC=C(C2CCOCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234662	1	45	-1.0	-47.54	366.30	4.56	-42.98
O=C(NC1=NC=C(C2CCOCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020234663	0	42	-1.0	-58.43	350.93	3.68	-54.75
O=C(NC1=NC=C(C2CCOCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020234663	1	42	-1.0	-58.48	350.88	3.65	-54.83
CSCC[C@H](NC(=O)NC1=NC=C(C2CCOCC2)S1)C1=NN=N[N-]1	REAL300020234664	0	45	-1.0	-51.02	394.54	3.65	-47.37
CSCC[C@H](NC(=O)NC1=NC=C(C2CCOCC2)S1)C1=N[N-]N=N1	REAL300020234664	1	45	-1.0	-51.03	394.49	3.64	-47.39
O=C(NC1=NC=C(C2CCOCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234665	0	42	-1.0	-47.88	352.41	3.73	-44.15
O=C(NC1=NC=C(C2CCOCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234665	1	42	-1.0	-47.87	352.34	3.71	-44.16
O=C(NC1=NC=C(C2CCOCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234666	0	48	-1.0	-53.76	374.85	5.46	-48.30
O=C(NC1=NC=C(C2CCOCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234666	1	48	-1.0	-53.76	374.79	5.45	-48.31
O=C(NC1=NN2C=CC(Br)=CC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234667	0	37	-1.0	-50.14	329.39	7.26	-42.88
O=C(NC1=NN2C=CC(Br)=CC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234667	1	37	-1.0	-50.15	329.33	7.24	-42.91
O=C(NC1=NN2C=CC(Br)=CC2=N1)N1CCCC1C1=NN=N[N-]1	REAL300020234668	0	34	-1.0	-58.68	313.99	6.20	-52.48
O=C(NC1=NN2C=CC(Br)=CC2=N1)N1CCCC1C1=N[N-]N=N1	REAL300020234668	1	34	-1.0	-58.72	313.94	6.18	-52.54
O=C(NC1=NN2C=CC(Br)=CC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234669	0	34	-1.0	-50.33	315.47	6.42	-43.91
O=C(NC1=NN2C=CC(Br)=CC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234669	1	34	-1.0	-50.29	315.40	6.40	-43.89
CC(F)(F)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234670	0	41	-1.0	-49.72	348.58	6.48	-43.24
CC(F)(F)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234670	1	41	-1.0	-49.77	348.52	6.46	-43.31
CC(F)(F)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234671	0	41	-1.0	-45.42	329.81	5.99	-39.43
CC(F)(F)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234671	1	41	-1.0	-45.37	329.87	6.01	-39.36
CC(F)(F)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234672	0	38	-1.0	-55.89	314.41	5.08	-50.81
CC(F)(F)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234672	1	38	-1.0	-55.90	314.47	5.11	-50.79
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(C)(F)F)C1=N[N-]N=N1	REAL300020234673	0	41	-1.0	-49.30	357.92	5.04	-44.26
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(C)(F)F)C1=NN=N[N-]1	REAL300020234673	1	41	-1.0	-49.31	357.97	5.06	-44.25
CC(F)(F)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234674	0	38	-1.0	-45.38	316.69	5.17	-40.21
CC(F)(F)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234674	1	38	-1.0	-45.41	316.76	5.19	-40.22
CC(F)(F)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234675	0	44	-1.0	-51.99	338.22	6.98	-45.01
CC(F)(F)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234675	1	44	-1.0	-51.94	338.26	6.98	-44.96
COC1=CC=C(CNS(C)(=O)=O)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234676	0	47	-1.0	-57.77	397.22	-0.38	-58.15
COC1=CC=C(CNS(C)(=O)=O)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234676	1	47	-1.0	-57.74	397.28	-0.36	-58.10
COC1=CC=C(CNS(C)(=O)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234677	0	47	-1.0	-49.45	398.59	-0.34	-49.79
COC1=CC=C(CNS(C)(=O)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234677	1	47	-1.0	-49.46	398.67	-0.33	-49.79
CC1=NOC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=N2)=N1	REAL300020234678	0	42	-1.0	-46.43	370.69	2.28	-44.15
CC1=NOC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=N2)=N1	REAL300020234678	1	42	-1.0	-46.40	370.63	2.25	-44.15
CC1=NOC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)=N1	REAL300020234679	0	42	-1.0	-49.94	351.88	1.65	-48.29
CC1=NOC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)=N1	REAL300020234679	1	42	-1.0	-49.97	351.94	1.67	-48.30
CC1=NOC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)=N1	REAL300020234680	0	39	-1.0	-53.28	336.33	0.84	-52.44
CC1=NOC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)=N1	REAL300020234680	1	39	-1.0	-53.28	336.39	0.85	-52.43
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC(C)=NO2)N=C1)C1=N[N-]N=N1	REAL300020234681	0	42	-1.0	-47.26	380.10	0.76	-46.50
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC(C)=NO2)N=C1)C1=NN=N[N-]1	REAL300020234681	1	42	-1.0	-47.26	380.16	0.78	-46.48
CC1=NOC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)=N1	REAL300020234682	0	39	-1.0	-45.54	337.70	0.88	-44.66
CC1=NOC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)=N1	REAL300020234682	1	39	-1.0	-45.55	337.77	0.88	-44.67
CC1=NOC(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)=N1	REAL300020234683	0	45	-1.0	-41.40	364.51	1.88	-39.52
CC1=NOC(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)=N1	REAL300020234683	1	45	-1.0	-41.40	364.54	1.89	-39.51
CC1=CC2=CC=CC=C2C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234684	0	44	-1.0	-42.71	366.50	7.85	-34.86
CC1=CC2=CC=CC=C2C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234684	1	44	-1.0	-42.70	366.45	7.82	-34.88
CC1=CC2=CC=CC=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234685	0	44	-1.0	-44.17	347.64	7.37	-36.80
CC1=CC2=CC=CC=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234685	1	44	-1.0	-44.17	347.70	7.39	-36.78
CC1=CC2=CC=CC=C2C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234686	0	41	-1.0	-55.06	332.43	6.44	-48.62
CC1=CC2=CC=CC=C2C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234686	1	41	-1.0	-55.04	332.49	6.45	-48.59
CSCC[C@H](NC(=O)NC1=CC(C)=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020234687	0	44	-1.0	-49.21	376.93	6.44	-42.77
CSCC[C@H](NC(=O)NC1=CC(C)=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020234687	1	44	-1.0	-49.22	376.98	6.46	-42.76
CC1=CC2=CC=CC=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234688	0	41	-1.0	-45.00	333.80	6.48	-38.52
CC1=CC2=CC=CC=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234688	1	41	-1.0	-45.01	333.87	6.50	-38.51
CC1=CC2=CC=CC=C2C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234689	0	47	-1.0	-51.84	356.25	8.35	-43.49
CC1=CC2=CC=CC=C2C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234689	1	47	-1.0	-51.91	356.30	8.35	-43.56
COCCCN1C=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020234690	0	48	-1.0	-51.66	405.40	5.14	-46.52
COCCCN1C=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020234690	1	48	-1.0	-51.65	405.34	5.12	-46.53
COCCCN1C=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020234691	0	48	-1.0	-53.74	386.20	4.66	-49.08
COCCCN1C=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020234691	1	48	-1.0	-53.73	386.14	4.64	-49.09
COCCCN1C=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020234692	0	45	-1.0	-68.50	370.75	3.75	-64.75
COCCCN1C=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234692	1	45	-1.0	-68.50	370.69	3.73	-64.77
COCCCN1C=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020234693	0	48	-1.0	-58.50	414.38	3.71	-54.79
COCCCN1C=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020234693	1	48	-1.0	-58.47	414.32	3.70	-54.77
COCCCN1C=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020234694	0	45	-1.0	-55.19	372.25	3.80	-51.39
COCCCN1C=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234694	1	45	-1.0	-55.19	372.18	3.79	-51.40
COCCCN1C=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020234695	0	51	-1.0	-61.70	394.45	5.53	-56.17
COCCCN1C=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020234695	1	51	-1.0	-61.77	394.39	5.52	-56.25
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=C1	REAL300020234696	0	39	-1.0	-41.44	332.42	4.36	-37.08
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Br)=C1	REAL300020234696	1	39	-1.0	-41.44	332.48	4.38	-37.06
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=C1	REAL300020234697	0	36	-1.0	-50.17	317.11	3.45	-46.72
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=C1	REAL300020234697	1	36	-1.0	-50.21	317.17	3.47	-46.74
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020234698	0	36	-1.0	-41.34	317.59	3.46	-37.88
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020234698	1	36	-1.0	-41.34	317.66	3.48	-37.86
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=C1	REAL300020234699	0	42	-1.0	-40.11	341.91	4.50	-35.61
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=C1	REAL300020234699	1	42	-1.0	-40.13	341.95	4.52	-35.61
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020234700	0	49	-2.0	-90.60	408.44	6.26	-84.34
CC1=C(C2CCCCC2)N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020234700	1	50	-1.0	-46.39	411.69	7.47	-38.92
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020234700	1	49	-2.0	-90.58	408.50	6.29	-84.29
CC1=C(C2CCCCC2)N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020234700	1	50	-1.0	-46.38	411.75	7.49	-38.89
CC1=C(C2CCCCC2)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020234701	0	50	-1.0	-42.39	393.90	7.07	-35.32
CC1=C(C2CCCCC2)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020234701	1	50	-1.0	-42.41	393.96	7.09	-35.32
CC1=C(C2CCCCC2)N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020234702	0	47	-1.0	-49.85	377.04	6.09	-43.76
CC1=C(C2CCCCC2)N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020234702	1	47	-1.0	-49.87	377.10	6.11	-43.76
CSCC[C@H](NC(=O)NC1=NC(C2CCCCC2)=C(C)S1)C1=N[N-]N=N1	REAL300020234703	0	50	-1.0	-43.96	420.66	6.06	-37.90
CSCC[C@H](NC(=O)NC1=NC(C2CCCCC2)=C(C)S1)C1=NN=N[N-]1	REAL300020234703	1	50	-1.0	-43.94	420.72	6.08	-37.86
CC1=C(C2CCCCC2)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020234704	0	47	-1.0	-40.98	379.89	6.20	-34.78
CC1=C(C2CCCCC2)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020234704	1	47	-1.0	-40.97	379.96	6.22	-34.75
CC1=C(C2CCCCC2)N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020234705	0	53	-1.0	-46.30	400.94	7.88	-38.42
CC1=C(C2CCCCC2)N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020234705	1	53	-1.0	-46.30	400.96	7.89	-38.41
CC(C)(C)SC1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020234706	0	48	-1.0	-43.00	394.38	7.37	-35.63
CC(C)(C)SC1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020234706	1	48	-1.0	-43.02	394.43	7.39	-35.63
CC(C)(C)SC1=C(F)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020234707	0	45	-1.0	-52.46	378.54	6.50	-45.96
CC(C)(C)SC1=C(F)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020234707	1	45	-1.0	-52.48	378.59	6.51	-45.97
CC(C)(C)SC1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020234708	0	45	-1.0	-43.77	380.09	6.54	-37.23
CC(C)(C)SC1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020234708	1	45	-1.0	-43.82	380.16	6.56	-37.26
COC1=NC=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020234709	0	44	-1.0	-43.94	375.52	3.82	-40.12
COC1=NC=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020234709	1	44	-1.0	-43.94	375.47	3.80	-40.14
COC1=NC=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020234710	0	44	-1.0	-45.91	356.41	3.33	-42.58
COC1=NC=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020234710	1	44	-1.0	-45.87	356.35	3.32	-42.55
COC1=NC=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020234711	0	41	-1.0	-54.63	340.70	2.45	-52.18
COC1=NC=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020234711	1	41	-1.0	-54.64	340.64	2.43	-52.21
COC1=NC=CC2=CC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C21	REAL300020234712	0	44	-1.0	-47.88	384.36	2.41	-45.47
COC1=NC=CC2=CC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C21	REAL300020234712	1	44	-1.0	-47.87	384.31	2.39	-45.48
COC1=NC=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020234713	0	41	-1.0	-45.79	342.24	2.50	-43.29
COC1=NC=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020234713	1	41	-1.0	-45.75	342.16	2.49	-43.26
COC1=NC=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020234714	0	47	-1.0	-41.83	368.65	3.48	-38.35
COC1=NC=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020234714	1	47	-1.0	-41.86	368.61	3.47	-38.39
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(C(N)=O)=C1	REAL300020234715	0	42	-1.0	-48.51	358.78	2.28	-46.23
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(C(N)=O)=C1	REAL300020234715	1	42	-1.0	-48.51	358.73	2.25	-46.26
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C(N)=O)=C1	REAL300020234716	0	42	-1.0	-45.60	340.12	1.72	-43.88
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C(N)=O)=C1	REAL300020234716	1	42	-1.0	-45.65	340.18	1.73	-43.92
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C(N)=O)=C1	REAL300020234717	0	39	-1.0	-57.62	324.41	0.84	-56.78
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C(N)=O)=C1	REAL300020234717	1	39	-1.0	-57.62	324.47	0.85	-56.77
CSCC[C@H](NC(=O)NC1=CC(C)=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020234718	0	42	-1.0	-49.09	368.24	0.77	-48.32
CSCC[C@H](NC(=O)NC1=CC(C)=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020234718	1	42	-1.0	-49.11	368.30	0.79	-48.32
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C(N)=O)=C1	REAL300020234719	0	39	-1.0	-47.57	325.80	0.90	-46.67
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C(N)=O)=C1	REAL300020234719	1	39	-1.0	-47.58	325.87	0.90	-46.68
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C(N)=O)=C1	REAL300020234720	0	45	-1.0	-40.72	352.40	1.88	-38.84
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C(N)=O)=C1	REAL300020234720	1	45	-1.0	-40.78	352.45	1.90	-38.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1CCC2=O	REAL300020234721	0	41	-1.0	-56.28	349.61	5.80	-50.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1CCC2=O	REAL300020234721	1	41	-1.0	-56.25	349.55	5.78	-50.47
O=C(NC1=C2CCC(=O)C2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234722	0	41	-1.0	-46.52	330.90	5.31	-41.21
O=C(NC1=C2CCC(=O)C2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234722	1	41	-1.0	-46.45	330.95	5.33	-41.12
O=C(NC1=C2CCC(=O)C2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234723	0	38	-1.0	-54.30	315.46	4.40	-49.90
O=C(NC1=C2CCC(=O)C2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234723	1	38	-1.0	-54.30	315.52	4.42	-49.88
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCC2=O)C1=N[N-]N=N1	REAL300020234724	0	41	-1.0	-49.41	358.99	4.37	-45.04
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCC2=O)C1=NN=N[N-]1	REAL300020234724	1	41	-1.0	-49.40	359.04	4.39	-45.01
O=C(NC1=C2CCC(=O)C2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234725	0	38	-1.0	-46.13	317.70	4.44	-41.69
O=C(NC1=C2CCC(=O)C2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234725	1	38	-1.0	-46.12	317.77	4.46	-41.66
O=C(NC1=C2CCC(=O)C2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234726	0	44	-1.0	-51.72	340.48	6.29	-45.43
O=C(NC1=C2CCC(=O)C2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234726	1	44	-1.0	-51.72	340.54	6.30	-45.42
CCCN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C1CC1	REAL300020234727	0	48	-1.0	-44.35	395.86	6.24	-38.11
CCCN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C1CC1	REAL300020234727	1	48	-1.0	-44.34	395.80	6.21	-38.13
CCCN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C1CC1	REAL300020234728	0	48	-1.0	-46.81	373.63	5.72	-41.09
CCCN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C1CC1	REAL300020234728	1	48	-1.0	-46.85	373.68	5.73	-41.12
CCCN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C1CC1	REAL300020234729	0	45	-1.0	-58.43	361.30	4.82	-53.61
CCCN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C1CC1	REAL300020234729	1	45	-1.0	-58.42	361.36	4.84	-53.58
CCCN1N=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C1CC1	REAL300020234730	0	48	-1.0	-50.74	404.93	4.79	-45.95
CCCN1N=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C1CC1	REAL300020234730	1	48	-1.0	-50.74	404.99	4.81	-45.93
CCCN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020234731	0	45	-1.0	-46.96	362.76	4.87	-42.09
CCCN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020234731	1	45	-1.0	-46.99	362.83	4.88	-42.11
CCCN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C1CC1	REAL300020234732	0	51	-1.0	-55.77	385.34	6.71	-49.06
CCCN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C1CC1	REAL300020234732	1	51	-1.0	-55.80	385.40	6.74	-49.06
CCOC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234733	0	42	-1.0	-55.05	368.10	5.64	-49.41
CCOC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234733	1	42	-1.0	-55.02	368.04	5.61	-49.41
CCOC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234734	0	42	-1.0	-44.75	350.52	5.14	-39.61
CCOC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234734	1	42	-1.0	-44.78	350.57	5.15	-39.63
CCOC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234735	0	39	-1.0	-54.64	333.90	4.23	-50.41
CCOC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234735	1	39	-1.0	-54.64	333.96	4.25	-50.39
CCOC1=CC=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020234736	0	42	-1.0	-49.40	377.43	4.18	-45.22
CCOC1=CC=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020234736	1	42	-1.0	-49.37	377.49	4.20	-45.17
CCOC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234737	0	39	-1.0	-44.71	336.15	4.29	-40.42
CCOC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234737	1	39	-1.0	-44.75	336.23	4.31	-40.44
CCOC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234738	0	45	-1.0	-44.11	363.97	5.29	-38.82
CCOC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234738	1	45	-1.0	-44.04	364.02	5.32	-38.72
CC(C)OC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234739	0	45	-1.0	-45.51	373.30	5.69	-39.82
CC(C)OC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234739	1	45	-1.0	-45.45	373.25	5.67	-39.78
CC(C)OC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234740	0	45	-1.0	-43.70	351.77	5.13	-38.57
CC(C)OC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234740	1	45	-1.0	-43.72	351.82	5.15	-38.57
CC(C)OC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234741	0	42	-1.0	-52.80	338.06	4.21	-48.59
CC(C)OC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234741	1	42	-1.0	-52.81	338.11	4.23	-48.58
CSCC[C@H](NC(=O)NC1=CC=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300020234742	0	45	-1.0	-46.14	381.79	4.18	-41.96
CSCC[C@H](NC(=O)NC1=CC=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300020234742	1	45	-1.0	-46.12	381.85	4.20	-41.92
CC(C)OC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234743	0	42	-1.0	-48.63	339.38	4.27	-44.36
CC(C)OC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234743	1	42	-1.0	-48.61	339.46	4.28	-44.33
CC(C)OC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234744	0	48	-1.0	-42.02	368.77	5.33	-36.69
CC(C)OC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234744	1	48	-1.0	-42.05	368.82	5.36	-36.69
CC(=O)C1=C(C)SC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020234745	0	38	-2.0	-82.28	346.67	3.16	-79.12
CC(=O)C1=C(C)SC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020234745	1	38	-2.0	-82.29	346.61	3.13	-79.16
CC(=O)C1=C(C)SC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020234745	1	39	-1.0	-40.28	349.92	4.35	-35.93
CC(=O)C1=C(C)SC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020234745	1	39	-1.0	-40.26	349.86	4.32	-35.94
CC(=O)C1=C(C)SC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020234746	0	39	-1.0	-41.86	331.39	3.93	-37.93
CC(=O)C1=C(C)SC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020234746	1	39	-1.0	-41.90	331.44	3.94	-37.96
CC(=O)C1=C(C)SC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234747	0	36	-1.0	-47.88	315.21	2.95	-44.93
CC(=O)C1=C(C)SC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020234747	1	36	-1.0	-47.82	315.27	2.95	-44.87
CC(=O)C1=C(C)SC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234747	1	35	-2.0	-103.70	313.82	1.92	-101.78
CSCC[C@H](NC(=O)NC1=NC(C(C)=O)=C(C)S1)C1=N[N-]N=N1	REAL300020234748	0	39	-1.0	-42.53	357.77	3.00	-39.53
CSCC[C@H](NC(=O)NC1=NC(C(C)=O)=C(C)S1)C1=NN=N[N-]1	REAL300020234748	1	39	-1.0	-42.50	357.83	3.01	-39.49
CC(=O)C1=C(C)SC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234749	0	36	-1.0	-40.43	317.37	3.06	-37.37
CC(=O)C1=C(C)SC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020234749	1	36	-1.0	-40.45	317.44	3.07	-37.38
CC(=O)C1=C(C)SC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234749	1	35	-2.0	-84.66	315.26	2.01	-82.65
CC(=O)C1=C(C)SC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020234750	0	42	-1.0	-44.35	339.11	4.74	-39.61
CC(=O)C1=C(C)SC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020234750	1	42	-1.0	-44.33	339.14	4.75	-39.58
CN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC1=O	REAL300020234751	0	38	-1.0	-56.36	331.22	3.57	-52.79
CN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC1=O	REAL300020234751	1	38	-1.0	-56.34	331.16	3.55	-52.79
CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC1=O	REAL300020234752	0	38	-1.0	-47.93	311.72	3.10	-44.83
CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC1=O	REAL300020234752	1	38	-1.0	-47.96	311.77	3.11	-44.85
CSCC[C@H](NC(=O)NC1=CC(=O)N(C)C=C1)C1=N[N-]N=N1	REAL300020234753	0	38	-1.0	-53.11	339.80	2.16	-50.95
CSCC[C@H](NC(=O)NC1=CC(=O)N(C)C=C1)C1=NN=N[N-]1	REAL300020234753	1	38	-1.0	-53.12	339.85	2.17	-50.95
CN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020234754	0	41	-1.0	-56.32	320.29	3.98	-52.34
CN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020234754	1	41	-1.0	-56.29	320.34	4.00	-52.29
CC(C)(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C#N	REAL300020234755	0	49	-1.0	-43.34	403.94	6.33	-37.01
CC(C)(C)OC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C#N	REAL300020234755	1	49	-1.0	-43.34	403.99	6.36	-36.98
CC(C)(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C#N	REAL300020234756	0	49	-1.0	-43.47	384.17	5.86	-37.61
CC(C)(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C#N	REAL300020234756	1	49	-1.0	-43.51	384.22	5.88	-37.63
CC(C)(C)OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C#N	REAL300020234757	0	46	-1.0	-50.95	369.13	4.95	-46.00
CC(C)(C)OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C#N	REAL300020234757	1	46	-1.0	-51.03	369.19	4.97	-46.06
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)(C)C)C(C#N)=C1)C1=N[N-]N=N1	REAL300020234758	0	49	-1.0	-51.88	412.70	4.90	-46.98
CSCC[C@H](NC(=O)NC1=CC=C(OC(C)(C)C)C(C#N)=C1)C1=NN=N[N-]1	REAL300020234758	1	49	-1.0	-51.85	412.76	4.92	-46.93
CC(C)(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C#N	REAL300020234759	0	46	-1.0	-43.73	370.49	5.00	-38.73
CC(C)(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C#N	REAL300020234759	1	46	-1.0	-43.72	370.56	5.01	-38.71
CC(C)(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C#N	REAL300020234760	0	52	-1.0	-40.44	397.37	5.96	-34.48
CC(C)(C)OC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C#N	REAL300020234760	1	52	-1.0	-42.16	397.39	5.97	-36.19
COC1=CC=C(NS(C)(=O)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234761	0	47	-1.0	-58.25	390.15	0.31	-57.94
COC1=CC=C(NS(C)(=O)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234761	1	47	-1.0	-58.26	390.21	0.32	-57.94
COC1=CC=C(NS(C)(=O)=O)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234762	0	44	-1.0	-56.06	374.21	-0.58	-56.64
COC1=CC=C(NS(C)(=O)=O)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234762	1	44	-1.0	-56.05	374.27	-0.57	-56.62
COC1=CC=C(NS(C)(=O)=O)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234763	0	44	-1.0	-57.96	375.79	-0.55	-58.51
COC1=CC=C(NS(C)(=O)=O)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234763	1	44	-1.0	-57.95	375.87	-0.54	-58.49
CC1=NC=C(Br)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234764	0	37	-1.0	-41.18	338.06	4.51	-36.67
CC1=NC=C(Br)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234764	1	37	-1.0	-41.20	338.11	4.53	-36.67
CC1=NC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234765	0	37	-1.0	-42.60	316.70	3.91	-38.69
CC1=NC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234765	1	37	-1.0	-42.66	316.76	3.92	-38.74
CC1=NC=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234766	0	34	-1.0	-53.07	302.54	3.05	-50.02
CC1=NC=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234766	1	34	-1.0	-53.04	302.59	3.06	-49.98
CSCC[C@H](NC(=O)NC1=CC(Br)=CN=C1C)C1=N[N-]N=N1	REAL300020234767	0	37	-1.0	-44.63	346.26	3.00	-41.63
CSCC[C@H](NC(=O)NC1=CC(Br)=CN=C1C)C1=NN=N[N-]1	REAL300020234767	1	37	-1.0	-44.61	346.32	3.02	-41.59
CC1=NC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234768	0	34	-1.0	-43.11	304.11	3.11	-40.00
CC1=NC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234768	1	34	-1.0	-43.07	304.19	3.12	-39.95
CC1=NC=C(Br)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234769	0	40	-1.0	-47.61	325.77	4.80	-42.81
CC1=NC=C(Br)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234769	1	40	-1.0	-47.62	325.83	4.81	-42.81
CC1=CC(Cl)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020234770	0	41	-1.0	-46.59	356.02	6.66	-39.93
CC1=CC(Cl)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020234770	1	41	-1.0	-46.64	355.96	6.63	-40.01
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020234771	0	41	-1.0	-42.29	335.92	6.13	-36.16
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020234771	1	41	-1.0	-42.28	335.98	6.14	-36.14
CC1=CC(Cl)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020234772	0	38	-1.0	-51.38	321.65	5.22	-46.16
CC1=CC(Cl)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020234772	1	38	-1.0	-51.34	321.71	5.23	-46.11
CSCC[C@H](NC(=O)NC1=CC(C)=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300020234773	0	41	-1.0	-45.50	365.17	5.18	-40.32
CSCC[C@H](NC(=O)NC1=CC(C)=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300020234773	1	41	-1.0	-45.50	365.23	5.19	-40.31
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020234774	0	38	-1.0	-41.71	323.01	5.28	-36.43
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020234774	1	38	-1.0	-41.74	323.09	5.29	-36.45
CC1=CC(Cl)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020234775	0	44	-1.0	-42.91	351.73	6.27	-36.64
CC1=CC(Cl)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020234775	1	44	-1.0	-42.91	351.78	6.29	-36.62
CS(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234776	0	40	-1.0	-65.88	355.37	3.39	-62.49
CS(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234776	1	40	-1.0	-65.90	355.31	3.36	-62.54
CS(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234777	0	40	-1.0	-53.38	335.16	2.92	-50.46
CS(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234777	1	40	-1.0	-53.35	335.21	2.94	-50.41
CS(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234778	0	37	-1.0	-62.40	321.01	1.96	-60.44
CS(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234778	1	37	-1.0	-62.36	321.07	1.97	-60.39
CSCC[C@H](NC(=O)NC1=CC=CC(S(C)=O)=C1)C1=N[N-]N=N1	REAL300020234779	0	40	-1.0	-48.16	364.48	1.92	-46.24
CSCC[C@H](NC(=O)NC1=CC=CC(S(C)=O)=C1)C1=NN=N[N-]1	REAL300020234779	1	40	-1.0	-48.21	364.54	1.93	-46.28
CS(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234780	0	37	-1.0	-54.02	322.34	2.01	-52.01
CS(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234780	1	37	-1.0	-54.01	322.42	2.02	-51.99
CS(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234781	0	43	-1.0	-58.59	344.36	3.77	-54.82
CS(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234781	1	43	-1.0	-58.60	344.42	3.78	-54.82
COC1=CC=CC=C1C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020234782	0	43	-2.0	-102.39	372.13	4.31	-98.08
COC1=CC=CC=C1C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020234782	1	43	-2.0	-102.40	372.19	4.33	-98.07
COC1=CC=CC=C1C1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020234783	0	40	-2.0	-127.13	356.31	3.19	-123.94
COC1=CC=CC=C1C1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020234783	1	40	-2.0	-127.11	356.37	3.21	-123.90
COC1=CC=CC=C1C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020234784	0	40	-2.0	-104.10	357.05	3.25	-100.85
COC1=CC=CC=C1C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020234784	1	40	-2.0	-104.06	357.13	3.26	-100.80
CC1=NN(C)C2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C12	REAL300020234785	0	44	-1.0	-46.62	374.69	5.35	-41.27
CC1=NN(C)C2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C12	REAL300020234785	1	44	-1.0	-46.64	374.64	5.33	-41.31
CC1=NN(C)C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C12	REAL300020234786	0	44	-1.0	-45.07	354.23	4.91	-40.16
CC1=NN(C)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C12	REAL300020234786	1	44	-1.0	-45.08	354.29	4.93	-40.15
CC1=NN(C)C2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C12	REAL300020234787	0	41	-1.0	-60.68	339.85	3.99	-56.69
CC1=NN(C)C2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C12	REAL300020234787	1	41	-1.0	-60.67	339.91	4.00	-56.67
CSCC[C@H](NC(=O)NC1=CC=C2C(C)=NN(C)C2=C1)C1=N[N-]N=N1	REAL300020234788	0	44	-1.0	-53.06	383.37	3.95	-49.11
CSCC[C@H](NC(=O)NC1=CC=C2C(C)=NN(C)C2=C1)C1=NN=N[N-]1	REAL300020234788	1	44	-1.0	-53.07	383.43	3.96	-49.11
CC1=NN(C)C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020234789	0	41	-1.0	-48.74	341.24	4.03	-44.71
CC1=NN(C)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020234789	1	41	-1.0	-48.78	341.31	4.04	-44.74
CC1=NN(C)C2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C12	REAL300020234790	0	47	-1.0	-44.17	367.81	5.01	-39.16
CC1=NN(C)C2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C12	REAL300020234790	1	47	-1.0	-43.72	367.88	5.03	-38.69
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C1=CC=CC=C1)C(F)F	REAL300020234791	0	41	-1.0	-40.52	357.53	5.95	-34.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C1=CC=CC=C1)C(F)F	REAL300020234791	1	41	-1.0	-40.52	357.48	5.93	-34.59
O=C(NC(C1=CC=CC=C1)C(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234792	0	41	-1.0	-41.70	338.20	5.47	-36.23
O=C(NC(C1=CC=CC=C1)C(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234792	1	41	-1.0	-41.69	338.25	5.49	-36.20
O=C(NC(C1=CC=CC=C1)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020234793	0	38	-1.0	-50.36	322.86	4.55	-45.81
O=C(NC(C1=CC=CC=C1)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020234793	1	38	-1.0	-50.38	322.92	4.57	-45.81
CSCC[C@H](NC(=O)NC(C1=CC=CC=C1)C(F)F)C1=N[N-]N=N1	REAL300020234794	0	41	-1.0	-44.24	366.45	4.51	-39.73
CSCC[C@H](NC(=O)NC(C1=CC=CC=C1)C(F)F)C1=NN=N[N-]1	REAL300020234794	1	41	-1.0	-44.27	366.51	4.53	-39.74
O=C(NC(C1=CC=CC=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020234795	0	38	-1.0	-45.12	322.27	4.62	-40.50
O=C(NC(C1=CC=CC=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020234795	1	38	-1.0	-45.15	322.34	4.64	-40.51
O=C(NC(C1=CC=CC=C1)C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020234796	0	44	-1.0	-49.08	343.90	6.28	-42.80
O=C(NC(C1=CC=CC=C1)C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020234796	1	44	-1.0	-49.12	343.95	6.30	-42.82
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N(C)N=C1	REAL300020234797	0	41	-1.0	-43.48	358.43	4.07	-39.41
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N(C)N=C1	REAL300020234797	1	41	-1.0	-43.43	358.38	4.05	-39.38
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N(C)N=C1	REAL300020234798	0	41	-1.0	-42.68	338.41	3.59	-39.09
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N(C)N=C1	REAL300020234798	1	41	-1.0	-42.67	338.36	3.57	-39.10
COC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N(C)N=C1	REAL300020234799	0	38	-1.0	-50.59	319.01	2.57	-48.02
COC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N(C)N=C1	REAL300020234799	1	38	-1.0	-50.57	318.95	2.55	-48.02
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N(C)N=C1	REAL300020234800	0	41	-1.0	-45.69	362.51	2.53	-43.16
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N(C)N=C1	REAL300020234800	1	41	-1.0	-45.70	362.45	2.52	-43.18
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N(C)N=C1	REAL300020234801	0	38	-1.0	-42.62	325.59	2.69	-39.93
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N(C)N=C1	REAL300020234801	1	38	-1.0	-42.68	325.52	2.68	-40.00
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N(C)N=C1	REAL300020234802	0	44	-1.0	-50.34	339.54	3.53	-46.81
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N(C)N=C1	REAL300020234802	1	44	-1.0	-50.34	339.49	3.51	-46.83
NC(=O)NC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020234803	0	41	-1.0	-53.99	357.85	0.98	-53.01
NC(=O)NC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020234803	1	41	-1.0	-53.99	357.79	0.96	-53.03
NC(=O)NC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020234804	0	41	-1.0	-45.77	337.33	0.52	-45.25
NC(=O)NC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020234804	1	41	-1.0	-45.80	337.39	0.53	-45.27
NC(=O)NC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020234805	0	38	-1.0	-54.36	322.44	-0.41	-54.77
NC(=O)NC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020234805	1	38	-1.0	-54.34	322.50	-0.39	-54.73
CSCC[C@H](NC(=O)NC1=CC=C(F)C(NC(N)=O)=C1)C1=N[N-]N=N1	REAL300020234806	0	41	-1.0	-48.81	366.13	-0.45	-49.26
CSCC[C@H](NC(=O)NC1=CC=C(F)C(NC(N)=O)=C1)C1=NN=N[N-]1	REAL300020234806	1	41	-1.0	-48.80	366.19	-0.43	-49.23
NC(=O)NC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020234807	0	38	-1.0	-45.63	324.83	-0.34	-45.97
NC(=O)NC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020234807	1	38	-1.0	-45.64	324.91	-0.34	-45.98
NC(=O)NC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020234808	0	44	-1.0	-45.91	346.88	0.78	-45.13
NC(=O)NC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020234808	1	44	-1.0	-45.97	346.91	0.80	-45.17
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2CC2)=N1	REAL300020234809	0	41	-1.0	-50.56	348.85	6.54	-44.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2CC2)=N1	REAL300020234809	1	41	-1.0	-50.55	348.80	6.52	-44.03
O=C(NC1=CC=CC(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234810	0	41	-1.0	-42.97	327.11	5.41	-37.56
O=C(NC1=CC=CC(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234810	1	41	-1.0	-42.96	327.17	5.43	-37.53
CSCC[C@H](NC(=O)NC1=CC=CC(C2CC2)=N1)C1=N[N-]N=N1	REAL300020234811	0	41	-1.0	-54.51	358.04	5.06	-49.45
CSCC[C@H](NC(=O)NC1=CC=CC(C2CC2)=N1)C1=NN=N[N-]1	REAL300020234811	1	41	-1.0	-54.47	358.10	5.08	-49.39
O=C(NC1=CC=CC(C2CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234812	0	44	-1.0	-47.12	333.07	6.35	-40.77
O=C(NC1=CC=CC(C2CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234812	1	44	-1.0	-47.14	333.10	6.36	-40.78
CC1=C(C2CC2)N=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020234813	0	40	-2.0	-99.75	357.84	4.80	-94.95
CC1=C(C2CC2)N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020234813	1	41	-1.0	-40.95	361.09	6.00	-34.95
CC1=C(C2CC2)N=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020234813	1	40	-2.0	-99.76	357.78	4.78	-94.98
CC1=C(C2CC2)N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020234813	1	41	-1.0	-40.94	361.04	5.98	-34.96
CC1=C(C2CC2)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020234814	0	41	-1.0	-42.76	340.92	5.49	-37.27
CC1=C(C2CC2)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020234814	1	41	-1.0	-42.78	340.98	5.51	-37.27
CC1=C(C2CC2)N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020234815	0	38	-1.0	-50.17	325.46	4.57	-45.60
CC1=C(C2CC2)N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020234815	1	38	-1.0	-50.18	325.52	4.58	-45.60
CSCC[C@H](NC(=O)NC1=NC(C2CC2)=C(C)S1)C1=N[N-]N=N1	REAL300020234816	0	41	-1.0	-44.33	369.08	4.53	-39.80
CSCC[C@H](NC(=O)NC1=NC(C2CC2)=C(C)S1)C1=NN=N[N-]1	REAL300020234816	1	41	-1.0	-44.38	369.14	4.55	-39.83
CC1=C(C2CC2)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020234817	0	38	-1.0	-41.38	326.90	4.62	-36.76
CC1=C(C2CC2)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020234817	1	38	-1.0	-41.35	326.98	4.64	-36.71
CC1=C(C2CC2)N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020234818	0	44	-1.0	-47.03	350.36	6.53	-40.50
CC1=C(C2CC2)N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020234818	1	44	-1.0	-47.03	350.41	6.53	-40.50
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C1=NC=CS1)C(F)(F)F	REAL300020234819	0	37	-1.0	-51.49	349.52	3.18	-48.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C1=NC=CS1)C(F)(F)F	REAL300020234819	1	37	-1.0	-51.49	349.58	3.21	-48.28
O=C(NC(C1=NC=CS1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234820	0	37	-1.0	-44.53	330.63	2.71	-41.82
O=C(NC(C1=NC=CS1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234820	1	37	-1.0	-44.54	330.68	2.73	-41.81
O=C(NC(C1=NC=CS1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020234821	0	34	-1.0	-50.58	314.89	1.81	-48.77
O=C(NC(C1=NC=CS1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020234821	1	34	-1.0	-50.53	314.94	1.83	-48.70
CSCC[C@H](NC(=O)NC(C1=NC=CS1)C(F)(F)F)C1=N[N-]N=N1	REAL300020234822	0	37	-1.0	-48.20	358.53	1.78	-46.42
CSCC[C@H](NC(=O)NC(C1=NC=CS1)C(F)(F)F)C1=NN=N[N-]1	REAL300020234822	1	37	-1.0	-48.22	358.58	1.79	-46.43
O=C(NC(C1=NC=CS1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020234823	0	34	-1.0	-42.65	316.36	1.87	-40.78
O=C(NC(C1=NC=CS1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020234823	1	34	-1.0	-42.68	316.43	1.89	-40.79
O=C(NC(C1=NC=CS1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020234824	0	40	-1.0	-50.53	333.05	3.75	-46.78
O=C(NC(C1=NC=CS1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020234824	1	40	-1.0	-50.57	333.09	3.76	-46.81
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC(Br)=C1	REAL300020234825	0	34	-1.0	-56.36	319.43	3.54	-52.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC(Br)=C1	REAL300020234825	1	34	-1.0	-56.40	319.38	3.52	-52.88
O=C(NC1=CC=NC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234826	0	34	-1.0	-41.90	300.47	3.04	-38.86
O=C(NC1=CC=NC(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234826	1	34	-1.0	-41.95	300.41	3.02	-38.93
O=C(NC1=CC=NC(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234827	0	31	-1.0	-53.42	285.19	2.14	-51.28
O=C(NC1=CC=NC(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234827	1	31	-1.0	-53.37	285.13	2.13	-51.24
CSCC[C@H](NC(=O)NC1=CC=NC(Br)=C1)C1=NN=N[N-]1	REAL300020234828	0	34	-1.0	-43.79	328.68	2.09	-41.70
CSCC[C@H](NC(=O)NC1=CC=NC(Br)=C1)C1=N[N-]N=N1	REAL300020234828	1	34	-1.0	-43.78	328.63	2.08	-41.70
O=C(NC1=CC=NC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234829	0	31	-1.0	-45.45	286.57	2.19	-43.26
O=C(NC1=CC=NC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234829	1	31	-1.0	-45.47	286.49	2.18	-43.29
O=C(NC1=CC=NC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234830	0	37	-1.0	-38.64	314.90	3.21	-35.43
O=C(NC1=CC=NC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234830	1	37	-1.0	-38.60	314.84	3.20	-35.40
O=C(NC1=CC(Cl)=CC=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234831	0	39	-1.0	-40.90	346.25	4.69	-36.21
O=C(NC1=CC(Cl)=CC=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234831	1	39	-1.0	-40.93	346.31	4.71	-36.22
O=C(NC1=CC(Cl)=CC=C1OC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020234832	0	36	-1.0	-49.29	329.72	3.80	-45.49
O=C(NC1=CC(Cl)=CC=C1OC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020234832	1	36	-1.0	-49.28	329.78	3.81	-45.47
O=C(NC1=CC(Cl)=CC=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020234833	0	36	-1.0	-40.72	331.92	3.85	-36.87
O=C(NC1=CC(Cl)=CC=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020234833	1	36	-1.0	-40.71	331.99	3.87	-36.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC(F)=C1F	REAL300020234834	0	35	-1.0	-38.84	320.48	5.02	-33.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC(F)=C1F	REAL300020234834	1	35	-1.0	-38.85	320.43	4.99	-33.86
O=C(NC1=CC(F)=CC(F)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234835	0	35	-1.0	-39.71	300.98	4.54	-35.17
O=C(NC1=CC(F)=CC(F)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234835	1	35	-1.0	-39.72	301.03	4.55	-35.17
O=C(NC1=CC(F)=CC(F)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020234836	0	32	-1.0	-48.38	287.09	3.61	-44.77
O=C(NC1=CC(F)=CC(F)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020234836	1	32	-1.0	-48.38	287.15	3.64	-44.74
CSCC[C@H](NC(=O)NC1=CC(F)=CC(F)=C1F)C1=N[N-]N=N1	REAL300020234837	0	35	-1.0	-42.25	330.62	3.60	-38.65
CSCC[C@H](NC(=O)NC1=CC(F)=CC(F)=C1F)C1=NN=N[N-]1	REAL300020234837	1	35	-1.0	-42.25	330.68	3.61	-38.64
O=C(NC1=CC(F)=CC(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020234838	0	32	-1.0	-39.96	288.48	3.67	-36.29
O=C(NC1=CC(F)=CC(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020234838	1	32	-1.0	-40.01	288.55	3.69	-36.32
O=C(NC1=CC(F)=CC(F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020234839	0	38	-1.0	-45.05	310.11	5.52	-39.53
O=C(NC1=CC(F)=CC(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020234839	1	38	-1.0	-45.11	310.17	5.52	-39.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1OCCF	REAL300020234840	0	42	-1.0	-44.90	359.16	5.28	-39.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1OCCF	REAL300020234840	1	42	-1.0	-44.86	359.10	5.26	-39.60
O=C(NC1=CC=CC=C1OCCF)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234841	0	42	-1.0	-46.44	340.36	4.79	-41.65
O=C(NC1=CC=CC=C1OCCF)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234841	1	42	-1.0	-46.40	340.42	4.81	-41.59
O=C(NC1=CC=CC=C1OCCF)N1CCCC1C1=N[N-]N=N1	REAL300020234842	0	39	-1.0	-57.69	325.73	3.86	-53.83
O=C(NC1=CC=CC=C1OCCF)N1CCCC1C1=NN=N[N-]1	REAL300020234842	1	39	-1.0	-57.67	325.79	3.89	-53.78
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCCF)C1=N[N-]N=N1	REAL300020234843	0	42	-1.0	-50.36	368.46	3.83	-46.53
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCCF)C1=NN=N[N-]1	REAL300020234843	1	42	-1.0	-50.35	368.52	3.85	-46.50
O=C(NC1=CC=CC=C1OCCF)N1CCC(C2=N[N-]N=N2)C1	REAL300020234844	0	39	-1.0	-46.47	326.30	3.94	-42.53
O=C(NC1=CC=CC=C1OCCF)N1CCC(C2=NN=N[N-]2)C1	REAL300020234844	1	39	-1.0	-46.47	326.37	3.94	-42.53
O=C(NC1=CC=CC=C1OCCF)N1CCCCC1CC1=N[N-]N=N1	REAL300020234845	0	45	-1.0	-47.76	352.71	5.02	-42.74
O=C(NC1=CC=CC=C1OCCF)N1CCCCC1CC1=NN=N[N-]1	REAL300020234845	1	45	-1.0	-47.76	352.69	5.03	-42.73
CC1=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C1=CN(C)N=C1	REAL300020234846	0	47	-1.0	-50.07	400.03	6.34	-43.73
CC1=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C1=CN(C)N=C1	REAL300020234846	1	47	-1.0	-50.03	399.97	6.31	-43.72
CC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C1=CN(C)N=C1	REAL300020234847	0	47	-1.0	-46.64	378.29	5.19	-41.45
CC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C1=CN(C)N=C1	REAL300020234847	1	47	-1.0	-46.62	378.35	5.21	-41.41
CC1=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C1=CN(C)N=C1	REAL300020234848	0	44	-1.0	-64.81	365.66	4.91	-59.90
CC1=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C1=CN(C)N=C1	REAL300020234848	1	44	-1.0	-64.81	365.72	4.91	-59.90
CSCC[C@H](NC(=O)NC1=CC=C(C2=CN(C)N=C2)C(C)=N1)C1=N[N-]N=N1	REAL300020234849	0	47	-1.0	-56.44	409.17	4.86	-51.58
CSCC[C@H](NC(=O)NC1=CC=C(C2=CN(C)N=C2)C(C)=N1)C1=NN=N[N-]1	REAL300020234849	1	47	-1.0	-56.44	409.23	4.87	-51.57
CC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C1=CN(C)N=C1	REAL300020234850	0	44	-1.0	-53.54	365.36	4.90	-48.64
CC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C1=CN(C)N=C1	REAL300020234850	1	44	-1.0	-53.54	365.43	4.91	-48.63
CC1=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C1=CN(C)N=C1	REAL300020234851	0	50	-1.0	-49.98	393.81	5.84	-44.14
CC1=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C1=CN(C)N=C1	REAL300020234851	1	50	-1.0	-49.96	393.86	5.84	-44.12
O=C(NC1=CC=NN1C1=CC=CC=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234852	0	41	-1.0	-44.79	355.15	6.63	-38.16
O=C(NC1=CC=NN1C1=CC=CC=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234852	1	41	-1.0	-44.76	355.09	6.61	-38.15
O=C(NC1=CC=NN1C1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234853	0	41	-1.0	-46.26	335.95	6.13	-40.13
O=C(NC1=CC=NN1C1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234853	1	41	-1.0	-46.28	335.89	6.12	-40.16
O=C(NC1=CC=NN1C1=CC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020234854	0	38	-1.0	-57.18	320.53	5.24	-51.94
O=C(NC1=CC=NN1C1=CC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020234854	1	38	-1.0	-57.15	320.47	5.21	-51.94
CSCC[C@H](NC(=O)NC1=CC=NN1C1=CC=CC=N1)C1=NN=N[N-]1	REAL300020234855	0	41	-1.0	-49.87	364.13	5.21	-44.66
CSCC[C@H](NC(=O)NC1=CC=NN1C1=CC=CC=N1)C1=N[N-]N=N1	REAL300020234855	1	41	-1.0	-49.88	364.07	5.19	-44.69
O=C(NC1=CC=NN1C1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234856	0	38	-1.0	-45.97	322.01	5.28	-40.69
O=C(NC1=CC=NN1C1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234856	1	38	-1.0	-45.97	321.94	5.27	-40.70
O=C(NC1=CC=NN1C1=CC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234857	0	44	-1.0	-54.47	344.53	7.14	-47.33
O=C(NC1=CC=NN1C1=CC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234857	1	44	-1.0	-54.53	344.48	7.13	-47.40
CC(=O)N(C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C1CC1C	REAL300020234858	0	52	-1.0	-53.27	399.45	6.50	-46.77
CC(=O)N(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C1CC1C	REAL300020234858	1	52	-1.0	-53.28	399.51	6.51	-46.77
CC(=O)N(C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)C1CC1C	REAL300020234859	0	49	-1.0	-57.28	377.75	5.39	-51.89
CC(=O)N(C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)C1CC1C	REAL300020234859	1	49	-1.0	-57.31	377.81	5.41	-51.90
CC(=O)N(C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1CC1C	REAL300020234860	0	49	-1.0	-46.36	394.33	6.22	-40.14
CC(=O)N(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1CC1C	REAL300020234860	1	49	-1.0	-46.36	394.40	6.24	-40.12
CC(=O)N(C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C1CC1C	REAL300020234861	0	55	-1.0	-49.29	405.41	6.61	-42.68
CC(=O)N(C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C1CC1C	REAL300020234861	1	55	-1.0	-49.34	405.45	6.63	-42.71
CC1=CC=C(F)C(Br)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234862	0	38	-1.0	-42.81	324.84	5.46	-37.35
CC1=CC=C(F)C(Br)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234862	1	38	-1.0	-42.81	324.90	5.48	-37.33
CC1=CC=C(F)C(Br)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234863	0	35	-1.0	-54.57	318.27	5.07	-49.50
CC1=CC=C(F)C(Br)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234863	1	35	-1.0	-54.60	318.33	5.08	-49.52
CC1=CC=C(F)C(Br)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234864	0	35	-1.0	-41.67	312.33	4.66	-37.01
CC1=CC=C(F)C(Br)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234864	1	35	-1.0	-41.67	312.40	4.66	-37.01
CC1=CC=C(F)C(Br)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234865	0	41	-1.0	-47.68	327.82	5.91	-41.77
CC1=CC=C(F)C(Br)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234865	1	41	-1.0	-47.68	327.86	5.93	-41.75
COC(=O)C(C)(C)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020234866	0	46	-1.0	-44.94	382.53	5.03	-39.91
COC(=O)C(C)(C)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020234866	1	46	-1.0	-44.96	382.47	5.01	-39.95
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020234866	1	45	-2.0	-94.77	381.48	4.19	-90.58
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020234866	1	45	-2.0	-94.77	381.42	4.17	-90.60
COC(=O)C(C)(C)C1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020234867	0	43	-1.0	-52.52	366.44	4.17	-48.35
COC(=O)C(C)(C)C1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234867	1	43	-1.0	-52.51	366.38	4.14	-48.37
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234867	1	42	-2.0	-115.60	365.62	3.07	-112.53
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020234867	1	42	-2.0	-115.57	365.68	3.08	-112.49
COC(=O)C(C)(C)C1=CSC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020234868	0	46	-1.0	-46.51	410.06	4.13	-42.38
COC(=O)C(C)(C)C1=CSC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020234868	1	46	-1.0	-46.50	410.00	4.12	-42.38
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020234868	1	45	-2.0	-104.35	406.74	2.92	-101.43
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020234868	1	45	-2.0	-104.31	406.80	2.93	-101.38
COC(=O)C(C)(C)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020234869	0	43	-1.0	-44.30	368.58	4.16	-40.14
COC(=O)C(C)(C)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234869	1	43	-1.0	-44.30	368.51	4.14	-40.16
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020234869	1	42	-2.0	-92.77	365.77	3.16	-89.61
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234869	1	42	-2.0	-92.77	365.70	3.16	-89.61
COC(=O)C(C)(C)C1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020234870	0	49	-1.0	-48.14	390.26	5.95	-42.19
COC(=O)C(C)(C)C1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020234870	1	49	-1.0	-48.15	390.24	5.93	-42.22
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020234870	1	48	-2.0	-112.78	390.10	5.18	-107.60
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020234870	1	48	-2.0	-112.71	390.05	5.17	-107.54
CC1=CN=C(OC(C)C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234871	0	47	-1.0	-41.38	391.75	4.13	-37.25
CC1=CN=C(OC(C)C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234871	1	47	-1.0	-41.30	391.69	4.11	-37.19
CC1=CN=C(OC(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234872	0	47	-1.0	-42.73	373.71	3.65	-39.08
CC1=CN=C(OC(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234872	1	47	-1.0	-42.69	373.66	3.64	-39.05
CC1=CN=C(OC(C)C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234873	0	44	-1.0	-52.75	357.64	2.75	-50.00
CC1=CN=C(OC(C)C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234873	1	44	-1.0	-52.74	357.58	2.73	-50.01
CSCC[C@H](NC(=O)NC1=CC(C)=CN=C1OC(C)C)C1=NN=N[N-]1	REAL300020234874	0	47	-1.0	-47.01	401.94	2.70	-44.31
CSCC[C@H](NC(=O)NC1=CC(C)=CN=C1OC(C)C)C1=N[N-]N=N1	REAL300020234874	1	47	-1.0	-47.00	401.88	2.68	-44.32
CC1=CN=C(OC(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234875	0	44	-1.0	-42.62	359.02	2.81	-39.81
CC1=CN=C(OC(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234875	1	44	-1.0	-42.58	358.95	2.80	-39.78
CC1=CN=C(OC(C)C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234876	0	50	-1.0	-45.63	387.78	3.82	-41.81
CC1=CN=C(OC(C)C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234876	1	50	-1.0	-45.55	387.72	3.81	-41.74
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)N=C1F	REAL300020234877	0	34	-1.0	-39.63	309.12	2.95	-36.68
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)N=C1F	REAL300020234877	1	34	-1.0	-39.63	309.07	2.93	-36.70
O=C(NC1=CC=C(F)N=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234878	0	34	-1.0	-40.99	289.26	2.46	-38.53
O=C(NC1=CC=C(F)N=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234878	1	34	-1.0	-40.98	289.21	2.44	-38.54
CSCC[C@H](NC(=O)NC1=CC=C(F)N=C1F)C1=NN=N[N-]1	REAL300020234879	0	34	-1.0	-40.66	319.32	1.56	-39.10
CSCC[C@H](NC(=O)NC1=CC=C(F)N=C1F)C1=N[N-]N=N1	REAL300020234879	1	34	-1.0	-40.64	319.26	1.54	-39.10
O=C(NC1=CC=C(F)N=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020234880	0	37	-1.0	-41.54	297.15	3.35	-38.19
O=C(NC1=CC=C(F)N=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020234880	1	37	-1.0	-41.51	297.10	3.34	-38.17
CC(C)(C)C1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C#N	REAL300020234881	0	45	-1.0	-40.38	385.20	6.25	-34.13
CC(C)(C)C1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C#N	REAL300020234881	1	45	-1.0	-40.37	385.15	6.23	-34.14
CC(C)(C)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C#N	REAL300020234882	0	45	-1.0	-41.42	365.96	5.78	-35.64
CC(C)(C)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C#N	REAL300020234882	1	45	-1.0	-41.42	366.02	5.79	-35.63
CC(C)(C)C1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C#N	REAL300020234883	0	42	-1.0	-46.26	350.51	4.86	-41.40
CC(C)(C)C1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C#N	REAL300020234883	1	42	-1.0	-46.27	350.57	4.88	-41.39
CSCC[C@H](NC(=O)NC1=C(C#N)C(C(C)(C)C)=CS1)C1=N[N-]N=N1	REAL300020234884	0	45	-1.0	-41.82	394.17	4.81	-37.01
CSCC[C@H](NC(=O)NC1=C(C#N)C(C(C)(C)C)=CS1)C1=NN=N[N-]1	REAL300020234884	1	45	-1.0	-41.84	394.23	4.83	-37.01
CC(C)(C)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C#N	REAL300020234885	0	42	-1.0	-39.44	351.99	4.90	-34.54
CC(C)(C)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C#N	REAL300020234885	1	42	-1.0	-39.47	352.06	4.91	-34.56
CC(C)(C)C1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C#N	REAL300020234886	0	48	-1.0	-41.90	374.20	6.65	-35.25
CC(C)(C)C1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C#N	REAL300020234886	1	48	-1.0	-41.95	374.24	6.65	-35.30
CS(C)(=O)=NC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020234887	0	45	-1.0	-66.63	383.04	3.16	-63.47
CS(C)(=O)=NC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020234887	1	45	-1.0	-66.69	383.09	3.18	-63.51
CS(C)(=O)=NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020234888	0	45	-1.0	-60.83	363.13	2.65	-58.18
CS(C)(=O)=NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020234888	1	45	-1.0	-60.89	363.18	2.66	-58.23
CS(C)(=O)=NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020234889	0	42	-1.0	-69.71	349.04	1.71	-68.00
CS(C)(=O)=NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020234889	1	42	-1.0	-69.73	349.10	1.73	-68.00
CSCC[C@H](NC(=O)NC1=CC=C(N=S(C)(C)=O)C=C1)C1=N[N-]N=N1	REAL300020234890	0	45	-1.0	-66.80	392.27	1.72	-65.08
CSCC[C@H](NC(=O)NC1=CC=C(N=S(C)(C)=O)C=C1)C1=NN=N[N-]1	REAL300020234890	1	45	-1.0	-66.75	392.33	1.74	-65.01
CS(C)(=O)=NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020234891	0	42	-1.0	-61.20	350.09	1.79	-59.41
CS(C)(=O)=NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020234891	1	42	-1.0	-61.21	350.17	1.81	-59.40
CS(C)(=O)=NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020234892	0	48	-1.0	-72.19	372.37	3.55	-68.64
CS(C)(=O)=NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020234892	1	48	-1.0	-72.23	372.42	3.57	-68.66
CCC1=NOC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020234893	0	35	-2.0	-88.10	314.84	0.70	-87.40
CCC1=NOC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020234893	1	35	-2.0	-88.11	314.78	0.68	-87.43
CCC1=NOC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020234894	0	35	-2.0	-101.75	323.77	-0.65	-102.40
CCC1=NOC([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020234894	1	35	-2.0	-101.73	323.82	-0.63	-102.36
CCC1=NOC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020234894	1	36	-1.0	-46.41	327.02	1.16	-45.25
CCC1=NOC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020234894	1	36	-1.0	-46.44	327.07	1.17	-45.27
CCC1=NOC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020234895	0	38	-2.0	-96.84	311.06	1.22	-95.62
CCC1=NOC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020234895	1	38	-2.0	-96.82	311.12	1.25	-95.57
CCC1=NOC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020234895	1	39	-1.0	-51.21	307.08	2.65	-48.56
CCC1=NOC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020234895	1	39	-1.0	-51.24	307.13	2.65	-48.59
CCOC(=O)C1=CC(COC)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234896	0	51	-1.0	-47.60	415.91	5.57	-42.03
CCOC(=O)C1=CC(COC)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234896	1	51	-1.0	-47.57	415.97	5.59	-41.98
CCOC(=O)C1=CC(COC)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234897	0	48	-1.0	-58.45	400.20	4.70	-53.75
CCOC(=O)C1=CC(COC)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234897	1	48	-1.0	-58.47	400.26	4.72	-53.75
CCOC(=O)C1=CC(COC)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234898	0	48	-1.0	-47.15	401.62	4.76	-42.39
CCOC(=O)C1=CC(COC)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234898	1	48	-1.0	-47.14	401.69	4.77	-42.37
COCC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(C(=O)OC)=C1	REAL300020234899	0	48	-1.0	-45.43	413.12	5.12	-40.31
COCC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(C(=O)OC)=C1	REAL300020234899	1	48	-1.0	-45.41	413.18	5.14	-40.27
COCC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C(=O)OC)=C1	REAL300020234900	0	48	-1.0	-47.55	394.05	4.65	-42.90
COCC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C(=O)OC)=C1	REAL300020234900	1	48	-1.0	-47.56	394.11	4.66	-42.90
COCC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C(=O)OC)=C1	REAL300020234901	0	45	-1.0	-58.05	378.34	3.78	-54.27
COCC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C(=O)OC)=C1	REAL300020234901	1	45	-1.0	-58.05	378.40	3.79	-54.26
COCC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(C(=O)OC)=C1	REAL300020234902	0	48	-1.0	-51.08	421.88	3.74	-47.34
COCC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(C(=O)OC)=C1	REAL300020234902	1	48	-1.0	-51.03	421.94	3.75	-47.28
COCC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C(=O)OC)=C1	REAL300020234903	0	45	-1.0	-47.06	379.76	3.84	-43.22
COCC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C(=O)OC)=C1	REAL300020234903	1	45	-1.0	-47.08	379.84	3.84	-43.24
COCC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C(=O)OC)=C1	REAL300020234904	0	51	-1.0	-42.25	406.33	4.81	-37.44
COCC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C(=O)OC)=C1	REAL300020234904	1	51	-1.0	-42.20	406.37	4.83	-37.37
CC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Br	REAL300020234905	0	38	-1.0	-42.20	346.21	4.30	-37.90
CC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Br	REAL300020234905	1	38	-1.0	-42.21	346.27	4.33	-37.88
CC1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Br	REAL300020234906	0	38	-1.0	-41.64	326.40	3.85	-37.79
CC1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Br	REAL300020234906	1	38	-1.0	-41.62	326.45	3.87	-37.75
CC1=NN(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1Br	REAL300020234907	0	35	-1.0	-48.89	307.83	2.88	-46.01
CC1=NN(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1Br	REAL300020234907	1	35	-1.0	-48.88	307.89	2.90	-45.98
CSCC[C@H](NC(=O)NC1=C(Br)C(C)=NN1C)C1=N[N-]N=N1	REAL300020234908	0	38	-1.0	-45.31	355.41	2.85	-42.46
CSCC[C@H](NC(=O)NC1=C(Br)C(C)=NN1C)C1=NN=N[N-]1	REAL300020234908	1	38	-1.0	-45.35	355.47	2.86	-42.49
CC1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020234909	0	35	-1.0	-40.32	309.14	2.94	-37.38
CC1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020234909	1	35	-1.0	-40.32	309.21	2.95	-37.37
CC1=NN(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020234910	0	41	-1.0	-39.17	341.09	5.27	-33.90
CC1=NN(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020234910	1	41	-1.0	-39.14	340.83	5.31	-33.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(OC(F)F)C=N1	REAL300020234911	0	38	-1.0	-65.67	338.70	3.98	-61.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(OC(F)F)C=N1	REAL300020234911	1	38	-1.0	-65.67	338.64	3.95	-61.72
O=C(NC1=CC=C(OC(F)F)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234912	0	38	-1.0	-52.75	319.60	3.51	-49.24
O=C(NC1=CC=C(OC(F)F)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234912	1	38	-1.0	-52.75	319.54	3.50	-49.25
O=C(NC1=CC=C(OC(F)F)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020234913	0	35	-1.0	-65.25	304.02	2.59	-62.66
O=C(NC1=CC=C(OC(F)F)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020234913	1	35	-1.0	-65.23	303.97	2.57	-62.66
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C=N1)C1=NN=N[N-]1	REAL300020234914	0	38	-1.0	-57.07	347.70	2.55	-54.52
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C=N1)C1=N[N-]N=N1	REAL300020234914	1	38	-1.0	-57.09	347.64	2.54	-54.55
O=C(NC1=CC=C(OC(F)F)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234915	0	35	-1.0	-53.77	305.55	2.65	-51.12
O=C(NC1=CC=C(OC(F)F)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234915	1	35	-1.0	-53.73	305.48	2.63	-51.10
O=C(NC1=CC=C(OC(F)F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234916	0	41	-1.0	-59.97	327.73	4.36	-55.61
O=C(NC1=CC=C(OC(F)F)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234916	1	41	-1.0	-59.96	327.68	4.35	-55.61
CNC(=O)OC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234917	0	43	-1.0	-62.20	374.34	2.87	-59.33
CNC(=O)OC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234917	1	43	-1.0	-62.18	374.28	2.85	-59.33
CNC(=O)OC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234918	0	43	-1.0	-48.04	354.41	2.41	-45.63
CNC(=O)OC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234918	1	43	-1.0	-48.04	354.47	2.42	-45.62
CNC(=O)OC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234919	0	40	-1.0	-67.31	339.22	1.49	-65.82
CNC(=O)OC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234919	1	40	-1.0	-67.28	339.27	1.51	-65.77
CNC(=O)OC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020234920	0	43	-1.0	-50.74	382.26	1.44	-49.30
CNC(=O)OC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020234920	1	43	-1.0	-50.73	382.32	1.45	-49.28
CNC(=O)OC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234921	0	40	-1.0	-51.10	340.12	1.52	-49.58
CNC(=O)OC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234921	1	40	-1.0	-51.12	340.20	1.54	-49.58
CNC(=O)OC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234922	0	46	-1.0	-52.04	369.94	2.56	-49.48
CNC(=O)OC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234922	1	46	-1.0	-52.03	369.99	2.57	-49.46
CC1=CN=C(Br)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234923	0	37	-1.0	-40.74	338.37	4.32	-36.42
CC1=CN=C(Br)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234923	1	37	-1.0	-40.74	338.32	4.29	-36.45
CC1=CN=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234924	0	37	-1.0	-41.36	317.81	3.82	-37.54
CC1=CN=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234924	1	37	-1.0	-41.33	317.75	3.81	-37.52
CC1=CN=C(Br)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234925	0	34	-1.0	-50.58	304.04	2.95	-47.63
CC1=CN=C(Br)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234925	1	34	-1.0	-50.54	303.98	2.93	-47.61
CSCC[C@H](NC(=O)NC1=CC(C)=CN=C1Br)C1=NN=N[N-]1	REAL300020234926	0	37	-1.0	-43.52	346.82	2.88	-40.64
CSCC[C@H](NC(=O)NC1=CC(C)=CN=C1Br)C1=N[N-]N=N1	REAL300020234926	1	37	-1.0	-43.54	346.76	2.86	-40.68
CC1=CN=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234927	0	34	-1.0	-41.62	305.55	2.98	-38.64
CC1=CN=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234927	1	34	-1.0	-41.62	305.48	2.97	-38.65
CC1=CN=C(Br)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234928	0	40	-1.0	-46.57	326.84	4.70	-41.87
CC1=CN=C(Br)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234928	1	40	-1.0	-46.54	326.78	4.70	-41.84
CC1=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C1=CC=CC=C1	REAL300020234929	0	44	-1.0	-56.13	377.75	9.02	-47.11
CC1=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C1=CC=CC=C1	REAL300020234929	1	44	-1.0	-56.13	377.69	9.00	-47.13
CC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=CC=CC=C1	REAL300020234930	0	44	-1.0	-51.31	358.51	8.53	-42.78
CC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=CC=CC=C1	REAL300020234930	1	44	-1.0	-51.24	358.56	8.54	-42.70
CC1=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020234931	0	41	-1.0	-61.10	343.00	7.63	-53.47
CC1=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020234931	1	41	-1.0	-61.10	343.06	7.64	-53.46
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2)C(C)=N1)C1=N[N-]N=N1	REAL300020234932	0	44	-1.0	-54.63	386.61	7.58	-47.05
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2)C(C)=N1)C1=NN=N[N-]1	REAL300020234932	1	44	-1.0	-54.61	386.66	7.60	-47.01
CC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020234933	0	41	-1.0	-50.43	345.92	7.70	-42.73
CC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020234933	1	41	-1.0	-50.43	345.99	7.72	-42.71
CC1=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020234934	0	47	-1.0	-56.85	366.93	9.40	-47.45
CC1=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020234934	1	47	-1.0	-56.86	367.00	9.41	-47.45
CN(C)C1=NC=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020234935	0	48	-1.0	-46.48	399.72	5.95	-40.53
CN(C)C1=NC=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020234935	1	48	-1.0	-46.47	399.77	5.97	-40.50
CN(C)C1=NC=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020234936	0	48	-1.0	-45.11	381.40	5.40	-39.71
CN(C)C1=NC=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020234936	1	48	-1.0	-45.14	381.46	5.41	-39.73
CN(C)C1=NC=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020234937	0	45	-1.0	-54.34	366.29	4.47	-49.87
CN(C)C1=NC=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020234937	1	45	-1.0	-54.39	366.34	4.48	-49.91
CSCC[C@H](NC(=O)NC1=CC2=CC=NC(N(C)C)=C2C=C1)C1=N[N-]N=N1	REAL300020234938	0	48	-1.0	-50.20	409.63	4.44	-45.76
CSCC[C@H](NC(=O)NC1=CC2=CC=NC(N(C)C)=C2C=C1)C1=NN=N[N-]1	REAL300020234938	1	48	-1.0	-50.17	409.69	4.46	-45.71
CN(C)C1=NC=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020234939	0	45	-1.0	-45.52	367.51	4.53	-40.99
CN(C)C1=NC=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020234939	1	45	-1.0	-45.51	367.58	4.54	-40.97
CN(C)C1=NC=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020234940	0	51	-1.0	-41.81	393.39	5.57	-36.24
CN(C)C1=NC=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020234940	1	51	-1.0	-41.85	393.42	5.58	-36.27
CC(C)(C)SC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020234941	0	48	-1.0	-47.82	379.99	7.00	-40.82
CC(C)(C)SC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020234941	1	48	-1.0	-47.86	380.05	7.02	-40.84
CC(C)(C)SC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020234942	0	45	-1.0	-60.95	364.14	6.11	-54.84
CC(C)(C)SC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020234942	1	45	-1.0	-60.94	364.20	6.13	-54.81
CSCC[C@H](NC(=O)NC1=CC=C(SC(C)(C)C)C(F)=C1)C1=N[N-]N=N1	REAL300020234943	0	48	-1.0	-51.28	414.85	6.33	-44.95
CSCC[C@H](NC(=O)NC1=CC=C(SC(C)(C)C)C(F)=C1)C1=NN=N[N-]1	REAL300020234943	1	48	-1.0	-51.29	414.91	6.35	-44.94
CC(C)(C)SC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020234944	0	45	-1.0	-48.22	365.53	6.18	-42.04
CC(C)(C)SC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020234944	1	45	-1.0	-48.27	365.60	6.18	-42.09
CC(C)(C)SC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020234945	0	51	-1.0	-40.27	400.60	7.32	-32.95
CC(C)(C)SC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020234945	1	51	-1.0	-40.29	400.65	7.35	-32.94
CC1=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2N(C)C1=O	REAL300020234946	0	47	-1.0	-46.97	391.02	6.26	-40.71
CC1=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2N(C)C1=O	REAL300020234946	1	47	-1.0	-46.96	390.96	6.24	-40.72
CC1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2N(C)C1=O	REAL300020234947	0	47	-1.0	-48.23	371.28	5.77	-42.46
CC1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2N(C)C1=O	REAL300020234947	1	47	-1.0	-48.20	371.34	5.78	-42.42
CC1=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2N(C)C1=O	REAL300020234948	0	44	-1.0	-55.96	356.63	4.82	-51.14
CC1=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2N(C)C1=O	REAL300020234948	1	44	-1.0	-55.97	356.69	4.84	-51.13
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C=C(C)C(=O)N2C)C1=N[N-]N=N1	REAL300020234949	0	47	-1.0	-51.67	399.68	4.78	-46.89
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C=C(C)C(=O)N2C)C1=NN=N[N-]1	REAL300020234949	1	47	-1.0	-51.64	399.73	4.80	-46.84
CC1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N(C)C1=O	REAL300020234950	0	44	-1.0	-48.84	357.96	4.89	-43.95
CC1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N(C)C1=O	REAL300020234950	1	44	-1.0	-48.84	358.03	4.90	-43.94
CC1=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N(C)C1=O	REAL300020234951	0	50	-1.0	-41.50	384.29	5.90	-35.60
CC1=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N(C)C1=O	REAL300020234951	1	50	-1.0	-41.50	384.38	5.93	-35.57
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=NC=NN2C=C1	REAL300020234952	0	40	-1.0	-52.32	346.73	6.17	-46.15
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=NC=NN2C=C1	REAL300020234952	1	40	-1.0	-52.31	346.67	6.14	-46.17
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=NC=NN2C=C1	REAL300020234953	0	40	-1.0	-55.49	328.49	5.65	-49.84
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=NC=NN2C=C1	REAL300020234953	1	40	-1.0	-55.53	328.54	5.66	-49.87
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=NC=NN2C=C1	REAL300020234954	0	37	-1.0	-69.54	312.36	4.75	-64.79
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=NC=NN2C=C1	REAL300020234954	1	37	-1.0	-69.54	312.42	4.77	-64.77
CSCC[C@H](NC(=O)NC1=C(C)C=CN2N=CN=C12)C1=N[N-]N=N1	REAL300020234955	0	40	-1.0	-62.48	357.20	4.51	-57.97
CSCC[C@H](NC(=O)NC1=C(C)C=CN2N=CN=C12)C1=NN=N[N-]1	REAL300020234955	1	40	-1.0	-62.49	357.26	4.52	-57.97
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NC=NN2C=C1	REAL300020234956	0	37	-1.0	-56.04	314.45	4.74	-51.30
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NC=NN2C=C1	REAL300020234956	1	37	-1.0	-56.03	314.52	4.75	-51.28
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=NC=NN2C=C1	REAL300020234957	0	43	-1.0	-60.87	326.34	7.67	-53.20
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=NC=NN2C=C1	REAL300020234957	1	43	-1.0	-60.88	326.38	7.68	-53.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2C(=O)CCCC2=C1	REAL300020234958	0	44	-1.0	-50.30	367.41	6.44	-43.86
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2C(=O)CCCC2=C1	REAL300020234958	1	44	-1.0	-50.33	367.36	6.41	-43.92
O=C(NC1=CC=C2C(=O)CCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234959	0	44	-1.0	-49.57	348.67	5.87	-43.70
O=C(NC1=CC=C2C(=O)CCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234959	1	44	-1.0	-49.56	348.73	5.89	-43.67
O=C(NC1=CC=C2C(=O)CCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234960	0	41	-1.0	-62.78	333.10	4.99	-57.79
O=C(NC1=CC=C2C(=O)CCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234960	1	41	-1.0	-62.76	333.16	5.00	-57.76
CSCC[C@H](NC(=O)NC1=CC=C2C(=O)CCCC2=C1)C1=N[N-]N=N1	REAL300020234961	0	44	-1.0	-50.90	376.61	4.96	-45.94
CSCC[C@H](NC(=O)NC1=CC=C2C(=O)CCCC2=C1)C1=NN=N[N-]1	REAL300020234961	1	44	-1.0	-50.87	376.66	4.97	-45.90
O=C(NC1=CC=C2C(=O)CCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234962	0	41	-1.0	-44.88	334.74	5.01	-39.87
O=C(NC1=CC=C2C(=O)CCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234962	1	41	-1.0	-44.90	334.82	5.03	-39.87
O=C(NC1=CC=C2C(=O)CCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234963	0	47	-1.0	-43.39	361.03	6.02	-37.37
O=C(NC1=CC=C2C(=O)CCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234963	1	47	-1.0	-43.62	361.05	6.04	-37.58
O=C(NC1=CC=C2C(=O)CCC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234964	0	41	-1.0	-43.79	350.70	5.82	-37.97
O=C(NC1=CC=C2C(=O)CCC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234964	1	41	-1.0	-43.76	350.64	5.80	-37.96
O=C(NC1=CC=C2C(=O)CCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234965	0	41	-1.0	-49.22	331.96	5.27	-43.95
O=C(NC1=CC=C2C(=O)CCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234965	1	41	-1.0	-49.24	332.02	5.29	-43.95
O=C(NC1=CC=C2C(=O)CCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234966	0	38	-1.0	-53.81	316.37	4.38	-49.43
O=C(NC1=CC=C2C(=O)CCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234966	1	38	-1.0	-53.80	316.42	4.40	-49.40
CSCC[C@H](NC(=O)NC1=CC=C2C(=O)CCC2=C1)C1=N[N-]N=N1	REAL300020234967	0	41	-1.0	-47.79	360.18	4.32	-43.47
CSCC[C@H](NC(=O)NC1=CC=C2C(=O)CCC2=C1)C1=NN=N[N-]1	REAL300020234967	1	41	-1.0	-47.76	360.24	4.33	-43.43
O=C(NC1=CC=C2C(=O)CCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234968	0	38	-1.0	-45.15	318.05	4.40	-40.75
O=C(NC1=CC=C2C(=O)CCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234968	1	38	-1.0	-45.16	318.13	4.42	-40.74
O=C(NC1=CC=C2C(=O)CCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234969	0	44	-1.0	-43.45	344.34	5.43	-38.02
O=C(NC1=CC=C2C(=O)CCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234969	1	44	-1.0	-43.48	344.39	5.43	-38.05
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C([N+](=O)[O-])=C1	REAL300020234970	0	37	-1.0	-49.82	336.06	5.45	-44.37
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C([N+](=O)[O-])=C1	REAL300020234970	1	37	-1.0	-49.86	336.00	5.42	-44.44
O=C(NC1=CC=C(F)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234971	0	37	-1.0	-44.22	316.96	4.96	-39.26
O=C(NC1=CC=C(F)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234971	1	37	-1.0	-44.29	317.02	4.97	-39.32
O=C(NC1=CC=C(F)C([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300020234972	0	34	-1.0	-48.05	301.23	4.09	-43.96
O=C(NC1=CC=C(F)C([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300020234972	1	34	-1.0	-48.02	301.29	4.10	-43.92
CSCC[C@H](NC(=O)NC1=CC=C(F)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020234973	0	37	-1.0	-59.00	345.02	4.02	-54.98
CSCC[C@H](NC(=O)NC1=CC=C(F)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020234973	1	37	-1.0	-59.00	345.07	4.03	-54.97
O=C(NC1=CC=C(F)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234974	0	34	-1.0	-52.98	302.61	4.14	-48.84
O=C(NC1=CC=C(F)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234974	1	34	-1.0	-53.00	302.68	4.15	-48.85
O=C(NC1=CC=C(F)C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234975	0	40	-1.0	-38.13	329.31	5.16	-32.97
O=C(NC1=CC=C(F)C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234975	1	40	-1.0	-38.09	329.31	5.16	-32.93
CC1=CC(Cl)=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234976	0	40	-1.0	-65.30	362.26	6.71	-58.59
CC1=CC(Cl)=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234976	1	40	-1.0	-65.26	362.20	6.68	-58.58
CC1=CC(Cl)=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234977	0	40	-1.0	-50.99	342.35	6.18	-44.81
CC1=CC(Cl)=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234977	1	40	-1.0	-51.01	342.40	6.19	-44.82
CC1=CC(Cl)=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020234978	0	37	-1.0	-65.68	326.77	5.28	-60.40
CC1=CC(Cl)=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020234978	1	37	-1.0	-65.67	326.83	5.29	-60.38
CSCC[C@H](NC(=O)NC1=CC([N+](=O)[O-])=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020234979	0	40	-1.0	-56.70	370.46	5.23	-51.47
CSCC[C@H](NC(=O)NC1=CC([N+](=O)[O-])=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020234979	1	40	-1.0	-56.71	370.52	5.24	-51.47
CC1=CC(Cl)=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020234980	0	37	-1.0	-51.23	328.31	5.32	-45.91
CC1=CC(Cl)=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020234980	1	37	-1.0	-51.23	328.38	5.34	-45.89
CC1=CC(Cl)=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020234981	0	43	-1.0	-55.05	349.87	7.05	-48.00
CC1=CC(Cl)=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020234981	1	43	-1.0	-55.07	349.92	7.06	-48.01
O=C(NC1=CSC=C1Br)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234982	0	32	-1.0	-39.42	311.31	4.43	-34.99
O=C(NC1=CSC=C1Br)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234982	1	32	-1.0	-39.41	311.26	4.41	-35.00
O=C(NC1=CSC=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234983	0	32	-1.0	-40.41	292.03	3.94	-36.47
O=C(NC1=CSC=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234983	1	32	-1.0	-40.45	292.09	3.96	-36.49
O=C(NC1=CSC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020234984	0	29	-1.0	-49.88	276.73	3.02	-46.86
O=C(NC1=CSC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020234984	1	29	-1.0	-49.87	276.79	3.04	-46.83
CSCC[C@H](NC(=O)NC1=CSC=C1Br)C1=N[N-]N=N1	REAL300020234985	0	32	-1.0	-43.42	320.26	2.99	-40.43
CSCC[C@H](NC(=O)NC1=CSC=C1Br)C1=NN=N[N-]1	REAL300020234985	1	32	-1.0	-43.40	320.31	3.00	-40.40
O=C(NC1=CSC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020234986	0	29	-1.0	-40.45	278.09	3.09	-37.36
O=C(NC1=CSC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020234986	1	29	-1.0	-40.49	278.16	3.11	-37.38
O=C(NC1=CSC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020234987	0	35	-1.0	-45.50	300.29	4.80	-40.70
O=C(NC1=CSC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020234987	1	35	-1.0	-45.54	300.34	4.81	-40.73
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(C=N1)CCCC2	REAL300020234988	0	44	-1.0	-45.90	362.07	6.96	-38.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(C=N1)CCCC2	REAL300020234988	1	44	-1.0	-45.91	362.01	6.94	-38.97
O=C(NC1=CC2=C(C=N1)CCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234989	0	44	-1.0	-42.98	339.98	5.84	-37.14
O=C(NC1=CC2=C(C=N1)CCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234989	1	44	-1.0	-43.04	340.03	5.85	-37.19
O=C(NC1=CC2=C(C=N1)CCCC2)N1CCCC1C1=N[N-]N=N1	REAL300020234990	0	41	-1.0	-60.08	327.49	5.55	-54.53
O=C(NC1=CC2=C(C=N1)CCCC2)N1CCCC1C1=NN=N[N-]1	REAL300020234990	1	41	-1.0	-60.08	327.55	5.57	-54.51
CSCC[C@H](NC(=O)NC1=CC2=C(C=N1)CCCC2)C1=N[N-]N=N1	REAL300020234991	0	44	-1.0	-52.32	371.01	5.52	-46.80
CSCC[C@H](NC(=O)NC1=CC2=C(C=N1)CCCC2)C1=NN=N[N-]1	REAL300020234991	1	44	-1.0	-52.33	371.07	5.53	-46.80
O=C(NC1=CC2=C(C=N1)CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020234992	0	41	-1.0	-48.75	328.87	5.62	-43.13
O=C(NC1=CC2=C(C=N1)CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020234992	1	41	-1.0	-48.73	328.95	5.63	-43.10
O=C(NC1=CC2=C(C=N1)CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020234993	0	47	-1.0	-46.12	355.81	6.03	-40.09
O=C(NC1=CC2=C(C=N1)CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020234993	1	47	-1.0	-46.14	355.86	6.06	-40.08
CCC(C)OC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234994	0	48	-1.0	-41.63	393.15	6.45	-35.18
CCC(C)OC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234994	1	48	-1.0	-41.65	393.10	6.42	-35.23
CCC(C)OC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020234995	0	48	-1.0	-43.42	372.56	5.98	-37.44
CCC(C)OC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020234995	1	48	-1.0	-43.41	372.62	5.99	-37.42
CCC(C)OC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234996	0	45	-1.0	-52.54	358.77	5.02	-47.52
CCC(C)OC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234996	1	45	-1.0	-52.54	358.83	5.04	-47.50
CCC(C)OC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020234997	0	48	-1.0	-47.38	402.26	4.98	-42.40
CCC(C)OC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020234997	1	48	-1.0	-47.41	402.32	5.00	-42.41
CCC(C)OC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234998	0	45	-1.0	-48.57	360.10	5.08	-43.49
CCC(C)OC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234998	1	45	-1.0	-48.59	360.17	5.09	-43.50
CCC(C)OC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020234999	0	51	-1.0	-42.05	389.52	6.15	-35.90
CCC(C)OC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020234999	1	51	-1.0	-42.03	389.57	6.16	-35.87
CCC1NC(=O)N(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C1=O	REAL300020235000	0	50	-1.0	-47.68	395.94	3.86	-43.82
CCC1NC(=O)N(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C1=O	REAL300020235000	1	50	-1.0	-47.73	396.00	3.87	-43.86
CCC1NC(=O)N(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C1=O	REAL300020235001	0	47	-1.0	-57.43	380.95	2.92	-54.51
CCC1NC(=O)N(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C1=O	REAL300020235001	1	47	-1.0	-57.43	381.01	2.94	-54.49
CCC1NC(=O)N(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C1=O	REAL300020235002	0	47	-1.0	-47.70	382.28	2.98	-44.72
CCC1NC(=O)N(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C1=O	REAL300020235002	1	47	-1.0	-47.75	382.36	2.98	-44.77
CCOC1=NC=C(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235003	0	44	-1.0	-41.41	371.61	3.21	-38.20
CCOC1=NC=C(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235003	1	44	-1.0	-41.40	371.55	3.19	-38.21
CCOC1=NC=C(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235004	0	44	-1.0	-42.45	351.96	2.73	-39.72
CCOC1=NC=C(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235004	1	44	-1.0	-42.46	351.90	2.72	-39.74
CCOC1=NC=C(C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235005	0	41	-1.0	-52.40	337.50	1.82	-50.58
CCOC1=NC=C(C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235005	1	41	-1.0	-52.37	337.44	1.80	-50.57
CCOC1=NC=C(C)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020235006	0	44	-1.0	-46.72	381.81	1.78	-44.94
CCOC1=NC=C(C)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020235006	1	44	-1.0	-46.68	381.75	1.76	-44.92
CCOC1=NC=C(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235007	0	41	-1.0	-42.59	338.88	1.87	-40.72
CCOC1=NC=C(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235007	1	41	-1.0	-42.51	338.81	1.86	-40.65
CCOC1=NC=C(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235008	0	47	-1.0	-48.88	360.96	3.61	-45.27
CCOC1=NC=C(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235008	1	47	-1.0	-48.88	360.90	3.60	-45.28
O=C([N-]C1=NC(CC(F)(F)F)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235009	0	36	-2.0	-86.54	344.82	3.66	-82.88
O=C([N-]C1=NC(CC(F)(F)F)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235009	1	36	-2.0	-86.54	344.87	3.68	-82.86
O=C(NC1=NC(CC(F)(F)F)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235009	1	37	-1.0	-42.29	348.07	4.86	-37.43
O=C(NC1=NC(CC(F)(F)F)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235009	1	37	-1.0	-42.27	348.13	4.88	-37.39
O=C(NC1=NC(CC(F)(F)F)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235010	0	37	-1.0	-44.21	328.87	4.41	-39.80
O=C(NC1=NC(CC(F)(F)F)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235010	1	37	-1.0	-44.24	328.93	4.42	-39.82
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235010	1	36	-2.0	-88.17	327.84	3.56	-84.61
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235010	1	36	-2.0	-88.19	327.90	3.57	-84.62
O=C(NC1=NC(CC(F)(F)F)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020235011	0	34	-1.0	-50.44	313.43	3.49	-46.95
O=C(NC1=NC(CC(F)(F)F)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020235011	1	34	-1.0	-50.45	313.49	3.51	-46.94
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020235011	1	33	-2.0	-108.03	312.04	2.44	-105.59
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020235011	1	33	-2.0	-108.00	312.09	2.47	-105.53
CSCC[C@H](NC(=O)NC1=NC(CC(F)(F)F)=CS1)C1=N[N-]N=N1	REAL300020235012	0	37	-1.0	-45.23	357.05	3.46	-41.77
CSCC[C@H](NC(=O)NC1=NC(CC(F)(F)F)=CS1)C1=NN=N[N-]1	REAL300020235012	1	37	-1.0	-45.20	357.11	3.48	-41.72
CSCC[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=N[N-]N=N1	REAL300020235012	1	36	-2.0	-99.37	353.81	2.25	-97.12
O=C(NC1=NC(CC(F)(F)F)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235013	0	34	-1.0	-42.19	314.89	3.54	-38.65
O=C(NC1=NC(CC(F)(F)F)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235013	1	34	-1.0	-42.22	314.96	3.56	-38.66
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235013	1	33	-2.0	-88.54	312.81	2.49	-86.05
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235013	1	33	-2.0	-88.52	312.89	2.51	-86.01
O=C(NC1=NC(CC(F)(F)F)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235014	0	40	-1.0	-46.32	337.14	5.26	-41.06
O=C(NC1=NC(CC(F)(F)F)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235014	1	40	-1.0	-46.33	337.19	5.28	-41.05
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235014	1	39	-2.0	-103.18	336.45	4.55	-98.63
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235014	1	39	-2.0	-103.22	336.49	4.57	-98.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(C=N1)CCC2	REAL300020235015	0	41	-1.0	-49.02	344.55	6.44	-42.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(C=N1)CCC2	REAL300020235015	1	41	-1.0	-49.02	344.49	6.41	-42.61
O=C(NC1=CC2=C(C=N1)CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235016	0	41	-1.0	-44.21	322.82	5.29	-38.92
O=C(NC1=CC2=C(C=N1)CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235016	1	41	-1.0	-44.26	322.87	5.30	-38.96
CSCC[C@H](NC(=O)NC1=CC2=C(C=N1)CCC2)C1=N[N-]N=N1	REAL300020235017	0	41	-1.0	-52.80	353.74	4.96	-47.84
CSCC[C@H](NC(=O)NC1=CC2=C(C=N1)CCC2)C1=NN=N[N-]1	REAL300020235017	1	41	-1.0	-52.78	353.80	4.97	-47.81
O=C(NC1=CC2=C(C=N1)CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020235018	0	44	-1.0	-55.86	334.15	6.74	-49.12
O=C(NC1=CC2=C(C=N1)CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020235018	1	44	-1.0	-55.87	334.21	6.76	-49.11
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2S1	REAL300020235019	0	44	-1.0	-44.39	375.53	6.46	-37.93
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2S1	REAL300020235019	1	44	-1.0	-44.40	375.59	6.47	-37.93
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2S1	REAL300020235020	0	41	-1.0	-52.62	360.31	5.51	-47.11
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2S1	REAL300020235020	1	41	-1.0	-52.64	360.37	5.53	-47.11
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2S1	REAL300020235021	0	41	-1.0	-44.21	362.73	5.56	-38.65
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2S1	REAL300020235021	1	41	-1.0	-44.21	362.80	5.58	-38.63
CC1=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C	REAL300020235022	0	37	-1.0	-56.86	322.25	5.54	-51.32
CC1=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C	REAL300020235022	1	37	-1.0	-56.85	322.20	5.51	-51.34
CSCC[C@H](NC(=O)NC1=NN(C)C(C)=N1)C1=N[N-]N=N1	REAL300020235023	0	37	-1.0	-55.13	332.03	4.12	-51.01
CSCC[C@H](NC(=O)NC1=NN(C)C(C)=N1)C1=NN=N[N-]1	REAL300020235023	1	37	-1.0	-55.13	332.08	4.13	-51.00
CC1=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020235024	0	40	-1.0	-58.31	311.22	5.91	-52.40
CC1=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020235024	1	40	-1.0	-58.36	311.27	5.92	-52.44
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN2C=CN=C12	REAL300020235025	0	41	-1.0	-45.42	353.81	5.92	-39.50
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN2C=CN=C12	REAL300020235025	1	41	-1.0	-45.45	353.87	5.95	-39.50
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN2C=CN=C12	REAL300020235026	0	41	-1.0	-46.51	329.76	5.24	-41.27
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN2C=CN=C12	REAL300020235026	1	41	-1.0	-46.51	329.81	5.26	-41.25
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN2C=CN=C12	REAL300020235027	0	38	-1.0	-54.54	319.86	4.54	-50.00
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN2C=CN=C12	REAL300020235027	1	38	-1.0	-54.53	319.92	4.56	-49.97
CSCC[C@H](NC(=O)NC1=CN2C=CN=C2C(C)=C1)C1=N[N-]N=N1	REAL300020235028	0	41	-1.0	-48.41	363.37	4.49	-43.92
CSCC[C@H](NC(=O)NC1=CN2C=CN=C2C(C)=C1)C1=NN=N[N-]1	REAL300020235028	1	41	-1.0	-48.41	363.42	4.51	-43.90
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN2C=CN=C12	REAL300020235029	0	38	-1.0	-46.96	320.52	4.60	-42.36
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN2C=CN=C12	REAL300020235029	1	38	-1.0	-46.96	320.60	4.62	-42.34
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN2C=CN=C12	REAL300020235030	0	44	-1.0	-41.27	344.29	5.61	-35.66
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN2C=CN=C12	REAL300020235030	1	44	-1.0	-41.27	344.33	5.62	-35.65
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(F)(F)F)=C1	REAL300020235031	0	42	-1.0	-39.98	366.06	5.30	-34.68
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)(F)F)=C1	REAL300020235031	1	42	-1.0	-40.06	366.11	5.33	-34.73
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=C1	REAL300020235032	0	42	-1.0	-41.89	346.87	4.87	-37.02
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=C1	REAL300020235032	1	42	-1.0	-41.90	346.93	4.88	-37.02
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL300020235033	0	39	-1.0	-50.03	332.70	3.98	-46.05
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL300020235033	1	39	-1.0	-50.02	332.75	4.00	-46.02
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL300020235034	0	42	-1.0	-44.62	376.37	3.93	-40.69
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL300020235034	1	42	-1.0	-44.58	376.43	3.94	-40.64
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1	REAL300020235035	0	39	-1.0	-40.96	334.20	4.01	-36.95
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020235035	1	39	-1.0	-41.02	334.28	4.03	-36.99
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL300020235036	0	45	-1.0	-46.37	355.72	5.82	-40.55
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL300020235036	1	45	-1.0	-46.35	355.78	5.83	-40.52
COC1=CC(C(F)(F)F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235037	0	42	-1.0	-42.62	370.30	5.21	-37.41
COC1=CC(C(F)(F)F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235037	1	42	-1.0	-42.64	370.36	5.23	-37.41
COC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235038	0	42	-1.0	-41.88	350.46	4.74	-37.14
COC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235038	1	42	-1.0	-41.89	350.52	4.76	-37.13
COC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235039	0	39	-1.0	-50.43	335.21	3.80	-46.63
COC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235039	1	39	-1.0	-50.45	335.27	3.83	-46.62
COC1=CC(C(F)(F)F)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020235040	0	42	-1.0	-44.64	378.74	3.75	-40.89
COC1=CC(C(F)(F)F)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020235040	1	42	-1.0	-44.67	378.80	3.77	-40.90
COC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235041	0	39	-1.0	-41.85	337.71	3.86	-37.99
COC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235041	1	39	-1.0	-41.81	337.78	3.87	-37.94
COC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235042	0	45	-1.0	-47.59	359.01	5.70	-41.89
COC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235042	1	45	-1.0	-47.62	359.07	5.71	-41.91
CCOC(=O)C1CCCC2=C1N=C(NC(=O)N1CCCC1C1=N[N-]N=N1)S2	REAL300020235043	0	47	-1.0	-51.73	391.63	5.84	-45.89
CCOC(=O)C1CCCC2=C1N=C(NC(=O)N1CCCC1C1=NN=N[N-]1)S2	REAL300020235043	1	47	-1.0	-51.72	391.69	5.86	-45.86
CCOC(=O)C1CCCC2=C1N=C(NC(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020235044	0	47	-1.0	-43.71	393.04	5.89	-37.82
CCOC(=O)C1CCCC2=C1N=C(NC(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020235044	1	47	-1.0	-43.75	393.12	5.91	-37.84
O=C(NC1=CC=C(C2CCOC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235045	0	46	-1.0	-54.55	378.06	5.37	-49.18
O=C(NC1=CC=C(C2CCOC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235045	1	46	-1.0	-54.54	378.00	5.34	-49.20
O=C(NC1=CC=C(C2CCOC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235046	0	46	-1.0	-43.71	358.66	4.92	-38.79
O=C(NC1=CC=C(C2CCOC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235046	1	46	-1.0	-43.70	358.72	4.93	-38.77
O=C(NC1=CC=C(C2CCOC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235047	0	43	-1.0	-57.30	343.36	3.98	-53.32
O=C(NC1=CC=C(C2CCOC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235047	1	43	-1.0	-57.26	343.41	4.00	-53.26
CSCC[C@H](NC(=O)NC1=CC=C(C2CCOC2)C=C1)C1=N[N-]N=N1	REAL300020235048	0	46	-1.0	-48.77	387.04	3.93	-44.84
CSCC[C@H](NC(=O)NC1=CC=C(C2CCOC2)C=C1)C1=NN=N[N-]1	REAL300020235048	1	46	-1.0	-48.74	387.10	3.95	-44.79
O=C(NC1=CC=C(C2CCOC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235049	0	43	-1.0	-44.32	344.59	4.06	-40.26
O=C(NC1=CC=C(C2CCOC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235049	1	43	-1.0	-44.30	344.66	4.07	-40.23
O=C(NC1=CC=C(C2CCOC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235050	0	49	-1.0	-49.26	366.79	5.80	-43.46
O=C(NC1=CC=C(C2CCOC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235050	1	49	-1.0	-49.27	366.84	5.81	-43.46
NC(=O)CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020235051	0	49	-1.0	-54.07	398.19	0.23	-53.84
NC(=O)CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020235051	1	49	-1.0	-54.07	398.25	0.24	-53.83
NC(=O)CCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020235052	0	46	-1.0	-60.75	383.98	-0.69	-61.44
NC(=O)CCNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020235052	1	46	-1.0	-60.74	384.04	-0.67	-61.41
NC(=O)CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020235053	0	46	-1.0	-53.78	385.65	-0.66	-54.44
NC(=O)CCNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020235053	1	46	-1.0	-53.76	385.73	-0.64	-54.40
O=C(NC1=CC=C(N2N=CC=C2C(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235054	0	42	-1.0	-58.20	360.37	5.20	-53.00
O=C(NC1=CC=C(N2N=CC=C2C(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235054	1	42	-1.0	-58.17	360.31	5.20	-52.97
O=C(NC1=CC=C(N2N=CC=C2C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235055	0	42	-1.0	-46.40	362.04	5.23	-41.17
O=C(NC1=CC=C(N2N=CC=C2C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235055	1	42	-1.0	-46.39	361.97	5.22	-41.17
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1C1=NC=CO1	REAL300020235056	0	44	-1.0	-44.15	371.83	4.19	-39.96
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1C1=NC=CO1	REAL300020235056	1	44	-1.0	-44.11	371.77	4.16	-39.95
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1C1=NC=CO1	REAL300020235057	0	44	-1.0	-45.20	352.51	3.71	-41.49
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1C1=NC=CO1	REAL300020235057	1	44	-1.0	-45.21	352.57	3.72	-41.49
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1C1=NC=CO1	REAL300020235058	0	41	-1.0	-54.44	336.03	2.74	-51.70
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1C1=NC=CO1	REAL300020235058	1	41	-1.0	-54.45	336.09	2.76	-51.69
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC=CO2)=C1C)C1=N[N-]N=N1	REAL300020235059	0	44	-1.0	-47.96	379.80	2.72	-45.24
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC=CO2)=C1C)C1=NN=N[N-]1	REAL300020235059	1	44	-1.0	-47.96	379.86	2.74	-45.22
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1C1=NC=CO1	REAL300020235060	0	41	-1.0	-45.17	341.07	2.88	-42.29
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1C1=NC=CO1	REAL300020235060	1	41	-1.0	-45.24	341.15	2.90	-42.34
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1C1=NC=CO1	REAL300020235061	0	47	-1.0	-51.41	360.01	4.53	-46.88
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1C1=NC=CO1	REAL300020235061	1	47	-1.0	-51.42	360.07	4.54	-46.88
O=C(NC1=CC=C2C(=C1)CCC(=O)N2CC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020235062	0	46	-1.0	-60.76	376.09	5.41	-55.35
O=C(NC1=CC=C2C(=C1)CCC(=O)N2CC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020235062	1	46	-1.0	-60.73	376.14	5.43	-55.30
O=C(NC1=CC=C2C(=C1)CCC(=O)N2CC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020235063	0	46	-1.0	-49.73	377.47	5.47	-44.26
O=C(NC1=CC=C2C(=C1)CCC(=O)N2CC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020235063	1	46	-1.0	-49.76	377.54	5.47	-44.29
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2CCC2)=C1	REAL300020235064	0	45	-1.0	-41.33	368.63	7.42	-33.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2CCC2)=C1	REAL300020235064	1	45	-1.0	-41.32	368.58	7.39	-33.93
O=C(NC1=CC=CC(C2CCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235065	0	45	-1.0	-43.80	349.92	6.87	-36.93
O=C(NC1=CC=CC(C2CCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235065	1	45	-1.0	-43.81	349.98	6.88	-36.93
O=C(NC1=CC=CC(C2CCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235066	0	42	-1.0	-57.91	334.24	5.98	-51.93
O=C(NC1=CC=CC(C2CCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235066	1	42	-1.0	-57.92	334.30	5.99	-51.93
CSCC[C@H](NC(=O)NC1=CC=CC(C2CCC2)=C1)C1=N[N-]N=N1	REAL300020235067	0	45	-1.0	-49.89	377.76	5.94	-43.95
CSCC[C@H](NC(=O)NC1=CC=CC(C2CCC2)=C1)C1=NN=N[N-]1	REAL300020235067	1	45	-1.0	-49.89	377.82	5.95	-43.94
O=C(NC1=CC=CC(C2CCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235068	0	42	-1.0	-45.18	335.88	6.00	-39.18
O=C(NC1=CC=CC(C2CCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235068	1	42	-1.0	-45.24	335.96	6.02	-39.22
O=C(NC1=CC=CC(C2CCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235069	0	48	-1.0	-50.18	357.80	7.76	-42.42
O=C(NC1=CC=CC(C2CCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235069	1	48	-1.0	-50.20	357.85	7.77	-42.43
C[NH+](C)CCN1N=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235070	0	47	0.0	-69.32	383.20	5.64	-63.68
C[NH+](C)CCN1N=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235070	1	47	0.0	-69.35	383.15	5.61	-63.74
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235071	0	47	0.0	-68.65	363.99	5.15	-63.50
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235071	1	47	0.0	-68.65	363.93	5.14	-63.51
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235072	0	44	0.0	-81.16	348.57	4.26	-76.90
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235072	1	44	0.0	-81.16	348.51	4.23	-76.93
CSCC[C@H](NC(=O)NC1=CC=NN1CC[NH+](C)C)C1=NN=N[N-]1	REAL300020235073	0	47	0.0	-72.94	392.18	4.21	-68.73
CSCC[C@H](NC(=O)NC1=CC=NN1CC[NH+](C)C)C1=N[N-]N=N1	REAL300020235073	1	47	0.0	-72.88	392.12	4.20	-68.68
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235074	0	44	0.0	-73.49	350.05	4.32	-69.17
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235074	1	44	0.0	-73.45	349.98	4.30	-69.15
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235075	0	50	0.0	-72.21	372.02	6.04	-66.17
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235075	1	50	0.0	-72.24	371.97	6.04	-66.20
O=C([N-]C1=NN=C(C2CCOCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235076	0	43	-2.0	-93.89	378.12	2.57	-91.32
O=C([N-]C1=NN=C(C2CCOCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235076	1	43	-2.0	-93.85	378.18	2.60	-91.25
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235077	0	43	-2.0	-96.18	361.14	2.45	-93.73
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235077	1	43	-2.0	-96.17	361.20	2.47	-93.70
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020235078	0	40	-2.0	-120.26	345.30	1.35	-118.91
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020235078	1	40	-2.0	-120.26	345.36	1.35	-118.91
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2CCOCC2)S1)C1=N[N-]N=N1	REAL300020235079	0	43	-2.0	-109.58	387.09	1.16	-108.42
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2CCOCC2)S1)C1=NN=N[N-]1	REAL300020235079	1	43	-2.0	-109.60	387.15	1.17	-108.43
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235080	0	40	-2.0	-98.00	346.07	1.39	-96.61
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235080	1	40	-2.0	-97.97	346.14	1.40	-96.57
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235081	0	46	-2.0	-117.61	369.64	3.32	-114.29
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235081	1	46	-2.0	-117.55	369.70	3.33	-114.22
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1C	REAL300020235082	0	46	-1.0	-45.24	380.53	4.26	-40.98
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1C	REAL300020235082	1	46	-1.0	-45.22	380.47	4.24	-40.98
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1C	REAL300020235083	0	46	-1.0	-44.00	360.29	3.75	-40.25
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1C	REAL300020235083	1	46	-1.0	-43.96	360.35	3.77	-40.19
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(OC)=C1C	REAL300020235084	0	43	-1.0	-54.97	346.29	2.79	-52.18
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(OC)=C1C	REAL300020235084	1	43	-1.0	-54.96	346.35	2.81	-52.15
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1C	REAL300020235085	0	46	-1.0	-47.00	389.99	2.75	-44.25
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1C	REAL300020235085	1	46	-1.0	-47.00	390.04	2.77	-44.23
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1C	REAL300020235086	0	43	-1.0	-44.74	347.82	2.85	-41.89
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1C	REAL300020235086	1	43	-1.0	-44.73	347.89	2.86	-41.87
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1C	REAL300020235087	0	49	-1.0	-41.95	376.20	3.90	-38.05
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1C	REAL300020235087	1	49	-1.0	-41.95	376.26	3.93	-38.02
CC1=CN=C(C)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235088	0	39	-1.0	-46.12	334.13	4.99	-41.13
CC1=CN=C(C)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235088	1	39	-1.0	-46.08	334.07	4.97	-41.11
CC1=CN=C(C)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235089	0	39	-1.0	-47.68	314.84	4.49	-43.19
CC1=CN=C(C)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235089	1	39	-1.0	-47.72	314.90	4.51	-43.21
CSCC[C@H](NC(=O)NC1=NC(C)=NC=C1C)C1=N[N-]N=N1	REAL300020235090	0	39	-1.0	-51.73	343.05	3.55	-48.18
CSCC[C@H](NC(=O)NC1=NC(C)=NC=C1C)C1=NN=N[N-]1	REAL300020235090	1	39	-1.0	-51.78	343.11	3.57	-48.21
CC1=CN=C(C)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235091	0	42	-1.0	-54.66	323.13	5.38	-49.28
CC1=CN=C(C)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235091	1	42	-1.0	-54.68	323.18	5.38	-49.30
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2=CC=CC=C2)=C1	REAL300020235092	0	45	-1.0	-53.94	377.38	8.21	-45.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2=CC=CC=C2)=C1	REAL300020235092	1	45	-1.0	-53.95	377.32	8.18	-45.77
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235093	0	45	-1.0	-44.42	357.01	7.73	-36.69
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235093	1	45	-1.0	-44.44	357.06	7.75	-36.69
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235094	0	42	-1.0	-53.82	343.01	6.77	-47.05
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235094	1	42	-1.0	-53.83	343.07	6.78	-47.05
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020235095	0	45	-1.0	-47.30	386.21	6.78	-40.52
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020235095	1	45	-1.0	-47.33	386.27	6.79	-40.54
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235096	0	42	-1.0	-44.61	344.32	6.83	-37.78
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235096	1	42	-1.0	-44.61	344.40	6.85	-37.76
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235097	0	48	-1.0	-43.92	370.73	7.89	-36.03
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235097	1	48	-1.0	-43.97	370.77	7.89	-36.08
CC1=CSC(C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)(F)F)=N1	REAL300020235098	0	40	-1.0	-45.59	369.15	3.67	-41.92
CC1=CSC(C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)(F)F)=N1	REAL300020235098	1	40	-1.0	-45.56	369.20	3.70	-41.86
CC1=CSC(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)(F)F)=N1	REAL300020235099	0	40	-1.0	-44.21	350.51	3.15	-41.06
CC1=CSC(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)(F)F)=N1	REAL300020235099	1	40	-1.0	-44.23	350.57	3.17	-41.06
CC1=CSC(C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)(F)F)=N1	REAL300020235100	0	37	-1.0	-54.11	334.77	2.26	-51.85
CC1=CSC(C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)(F)F)=N1	REAL300020235100	1	37	-1.0	-54.10	334.83	2.28	-51.82
CSCC[C@H](NC(=O)NC(C1=NC(C)=CS1)C(F)(F)F)C1=N[N-]N=N1	REAL300020235101	0	40	-1.0	-48.05	378.39	2.23	-45.82
CSCC[C@H](NC(=O)NC(C1=NC(C)=CS1)C(F)(F)F)C1=NN=N[N-]1	REAL300020235101	1	40	-1.0	-48.01	378.45	2.24	-45.77
CC1=CSC(C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)(F)F)=N1	REAL300020235102	0	37	-1.0	-44.27	336.25	2.32	-41.95
CC1=CSC(C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)(F)F)=N1	REAL300020235102	1	37	-1.0	-44.27	336.32	2.33	-41.94
CC1=CSC(C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)(F)F)=N1	REAL300020235103	0	43	-1.0	-51.64	358.29	4.12	-47.52
CC1=CSC(C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)(F)F)=N1	REAL300020235103	1	43	-1.0	-51.67	358.35	4.12	-47.55
CC1=C(Cl)C=NC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235104	0	37	-1.0	-53.95	331.01	4.26	-49.69
CC1=C(Cl)C=NC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235104	1	37	-1.0	-53.94	330.96	4.23	-49.71
CC1=C(Cl)C=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235105	0	37	-1.0	-42.69	309.85	3.72	-38.97
CC1=C(Cl)C=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235105	1	37	-1.0	-42.70	309.91	3.73	-38.97
CC1=C(Cl)C=NC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235106	0	34	-1.0	-51.75	295.80	2.84	-48.91
CC1=C(Cl)C=NC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235106	1	34	-1.0	-51.74	295.86	2.87	-48.87
CSCC[C@H](NC(=O)NC1=CN=CC(Cl)=C1C)C1=N[N-]N=N1	REAL300020235107	0	37	-1.0	-45.19	340.26	2.84	-42.35
CSCC[C@H](NC(=O)NC1=CN=CC(Cl)=C1C)C1=NN=N[N-]1	REAL300020235107	1	37	-1.0	-45.17	340.32	2.86	-42.31
CC1=C(Cl)C=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235108	0	34	-1.0	-43.29	297.13	2.90	-40.39
CC1=C(Cl)C=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235108	1	34	-1.0	-43.25	297.21	2.91	-40.34
CC1=C(Cl)C=NC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235109	0	40	-1.0	-38.38	325.65	3.90	-34.48
CC1=C(Cl)C=NC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235109	1	40	-1.0	-38.42	325.70	3.91	-34.51
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C1=CC=NC=C1	REAL300020235110	0	47	-1.0	-43.38	394.81	7.18	-36.20
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C1=CC=NC=C1	REAL300020235110	1	47	-1.0	-43.42	394.76	7.15	-36.27
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C1=CC=NC=C1	REAL300020235111	0	47	-1.0	-44.18	373.86	6.66	-37.52
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C1=CC=NC=C1	REAL300020235111	1	47	-1.0	-44.23	373.92	6.67	-37.56
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C1=CC=NC=C1	REAL300020235112	0	44	-1.0	-54.10	359.75	5.69	-48.41
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C1=CC=NC=C1	REAL300020235112	1	44	-1.0	-54.12	359.81	5.71	-48.41
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=NC=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020235113	0	47	-1.0	-49.79	403.32	5.66	-44.13
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=NC=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020235113	1	47	-1.0	-49.77	403.38	5.67	-44.10
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C1=CC=NC=C1	REAL300020235114	0	44	-1.0	-45.28	361.28	5.74	-39.54
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C1=CC=NC=C1	REAL300020235114	1	44	-1.0	-45.26	361.36	5.76	-39.50
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C1=CC=NC=C1	REAL300020235115	0	50	-1.0	-42.05	387.52	6.78	-35.27
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C1=CC=NC=C1	REAL300020235115	1	50	-1.0	-42.03	387.48	6.76	-35.27
O=C(NC1=CC=C(Br)C(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235116	0	41	-1.0	-40.60	347.88	6.22	-34.38
O=C(NC1=CC=C(Br)C(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235116	1	41	-1.0	-40.65	347.94	6.24	-34.41
O=C(NC1=CC=C(Br)C(C2CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020235117	0	38	-1.0	-58.30	334.74	5.89	-52.41
O=C(NC1=CC=C(Br)C(C2CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020235117	1	38	-1.0	-58.27	334.80	5.91	-52.36
O=C(NC1=CC=C(Br)C(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235118	0	38	-1.0	-47.53	335.90	5.96	-41.57
O=C(NC1=CC=C(Br)C(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235118	1	38	-1.0	-47.56	335.97	5.97	-41.59
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CN=C1Br	REAL300020235119	0	37	-1.0	-40.85	334.89	4.30	-36.55
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CN=C1Br	REAL300020235119	1	37	-1.0	-40.87	334.83	4.28	-36.59
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CN=C1Br	REAL300020235120	0	37	-1.0	-42.37	314.81	3.82	-38.55
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CN=C1Br	REAL300020235120	1	37	-1.0	-42.35	314.75	3.80	-38.55
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CN=C1Br	REAL300020235121	0	34	-1.0	-50.80	300.70	2.93	-47.87
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CN=C1Br	REAL300020235121	1	34	-1.0	-50.78	300.64	2.91	-47.87
CSCC[C@H](NC(=O)NC1=CC=NC(Br)=C1C)C1=NN=N[N-]1	REAL300020235122	0	37	-1.0	-43.83	343.30	2.84	-40.99
CSCC[C@H](NC(=O)NC1=CC=NC(Br)=C1C)C1=N[N-]N=N1	REAL300020235122	1	37	-1.0	-43.83	343.25	2.83	-41.00
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CN=C1Br	REAL300020235123	0	34	-1.0	-42.04	301.18	2.95	-39.09
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CN=C1Br	REAL300020235123	1	34	-1.0	-42.00	301.11	2.93	-39.07
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CN=C1Br	REAL300020235124	0	40	-1.0	-46.79	322.68	4.64	-42.15
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CN=C1Br	REAL300020235124	1	40	-1.0	-46.76	322.63	4.62	-42.14
CC(=O)N(C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1)C1CC1	REAL300020235125	0	49	-1.0	-67.40	390.17	6.33	-61.07
CC(=O)N(C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1)C1CC1	REAL300020235125	1	49	-1.0	-67.41	390.23	6.35	-61.06
CC(=O)N(C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C1CC1	REAL300020235126	0	49	-1.0	-45.54	379.24	6.11	-39.43
CC(=O)N(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C1CC1	REAL300020235126	1	49	-1.0	-45.52	379.30	6.13	-39.39
CC(=O)N(C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)C1CC1	REAL300020235127	0	46	-1.0	-68.72	357.18	4.99	-63.73
CC(=O)N(C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)C1CC1	REAL300020235127	1	46	-1.0	-68.69	357.24	5.02	-63.67
CSCC[C@H](NC(=O)NC1=CC=C(N(C(C)=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL300020235128	0	49	-1.0	-48.55	410.87	5.18	-43.37
CSCC[C@H](NC(=O)NC1=CC=C(N(C(C)=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL300020235128	1	49	-1.0	-48.53	410.93	5.19	-43.34
CC(=O)N(C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1CC1	REAL300020235129	0	46	-1.0	-54.41	358.63	4.88	-49.53
CC(=O)N(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1CC1	REAL300020235129	1	46	-1.0	-54.42	358.70	4.88	-49.54
CC(=O)N(C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C1CC1	REAL300020235130	0	52	-1.0	-53.68	379.01	6.77	-46.91
CC(=O)N(C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C1CC1	REAL300020235130	1	52	-1.0	-53.69	379.05	6.78	-46.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C2CCC2)C=N1	REAL300020235131	0	44	-1.0	-60.61	365.21	7.01	-53.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C2CCC2)C=N1	REAL300020235131	1	44	-1.0	-60.60	365.15	6.99	-53.61
O=C(NC1=CC=C(C2CCC2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235132	0	44	-1.0	-48.03	346.07	6.52	-41.51
O=C(NC1=CC=C(C2CCC2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235132	1	44	-1.0	-48.01	346.02	6.51	-41.50
O=C(NC1=CC=C(C2CCC2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020235133	0	41	-1.0	-60.69	330.68	5.63	-55.06
O=C(NC1=CC=C(C2CCC2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020235133	1	41	-1.0	-60.64	330.62	5.62	-55.02
CSCC[C@H](NC(=O)NC1=CC=C(C2CCC2)C=N1)C1=NN=N[N-]1	REAL300020235134	0	44	-1.0	-52.61	374.22	5.59	-47.02
CSCC[C@H](NC(=O)NC1=CC=C(C2CCC2)C=N1)C1=N[N-]N=N1	REAL300020235134	1	44	-1.0	-52.60	374.16	5.57	-47.03
O=C(NC1=CC=C(C2CCC2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235135	0	41	-1.0	-49.18	332.06	5.68	-43.50
O=C(NC1=CC=C(C2CCC2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235135	1	41	-1.0	-49.19	331.99	5.67	-43.52
O=C(NC1=CC=C(C2CCC2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235136	0	47	-1.0	-55.52	354.23	7.39	-48.13
O=C(NC1=CC=C(C2CCC2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235136	1	47	-1.0	-55.54	354.18	7.39	-48.15
O=C(NC1=CC=C(Cl)C=C1OCC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235137	0	42	-1.0	-45.87	363.52	5.49	-40.38
O=C(NC1=CC=C(Cl)C=C1OCC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235137	1	42	-1.0	-45.85	363.58	5.50	-40.35
O=C(NC1=CC=C(Cl)C=C1OCC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020235138	0	39	-1.0	-55.09	348.10	4.57	-50.52
O=C(NC1=CC=C(Cl)C=C1OCC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020235138	1	39	-1.0	-55.08	348.16	4.59	-50.49
O=C(NC1=CC=C(Cl)C=C1OCC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020235139	0	39	-1.0	-45.48	349.48	4.62	-40.86
O=C(NC1=CC=C(Cl)C=C1OCC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020235139	1	39	-1.0	-45.50	349.56	4.64	-40.86
CCSC1=CC=CC(Br)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235140	0	39	-1.0	-55.83	354.22	6.35	-49.48
CCSC1=CC=CC(Br)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235140	1	39	-1.0	-55.86	354.28	6.37	-49.49
CCSC1=CC=CC(Br)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235141	0	39	-1.0	-46.07	355.61	6.38	-39.69
CCSC1=CC=CC(Br)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235141	1	39	-1.0	-46.10	355.68	6.39	-39.71
CC1=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C1=CC=CC=C1	REAL300020235142	0	47	-1.0	-46.59	395.66	8.50	-38.09
CC1=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C1=CC=CC=C1	REAL300020235142	1	47	-1.0	-46.59	395.60	8.48	-38.11
CC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C1=CC=CC=C1	REAL300020235143	0	47	-1.0	-43.55	375.24	7.44	-36.11
CC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C1=CC=CC=C1	REAL300020235143	1	47	-1.0	-43.57	375.30	7.46	-36.11
CC1=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL300020235144	0	44	-1.0	-60.84	361.08	7.09	-53.75
CC1=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL300020235144	1	44	-1.0	-60.83	361.14	7.12	-53.71
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)C(C)=N1)C1=N[N-]N=N1	REAL300020235145	0	47	-1.0	-53.14	404.60	7.06	-46.08
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)C(C)=N1)C1=NN=N[N-]1	REAL300020235145	1	47	-1.0	-53.15	404.66	7.08	-46.07
CC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C1=CC=CC=C1	REAL300020235146	0	44	-1.0	-49.45	363.90	7.21	-42.24
CC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C1=CC=CC=C1	REAL300020235146	1	44	-1.0	-49.43	363.97	7.23	-42.20
CC1=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL300020235147	0	50	-1.0	-55.96	385.01	8.85	-47.11
CC1=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL300020235147	1	50	-1.0	-55.99	385.06	8.86	-47.13
O=C(NC1=CC(F)=C(F)C=C1N1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235148	0	50	-1.0	-41.15	391.81	6.32	-34.83
O=C(NC1=CC(F)=C(F)C=C1N1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235148	1	50	-1.0	-41.20	391.87	6.33	-34.87
O=C(NC1=CC(F)=C(F)C=C1N1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020235149	0	47	-1.0	-52.79	377.64	5.34	-47.45
O=C(NC1=CC(F)=C(F)C=C1N1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020235149	1	47	-1.0	-52.83	377.70	5.36	-47.47
O=C(NC1=CC(F)=C(F)C=C1N1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235150	0	47	-1.0	-42.07	379.05	5.36	-36.71
O=C(NC1=CC(F)=C(F)C=C1N1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235150	1	47	-1.0	-42.06	379.13	5.38	-36.68
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(F)C=C1Br	REAL300020235151	0	38	-1.0	-40.05	329.61	5.58	-34.47
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(F)C=C1Br	REAL300020235151	1	38	-1.0	-40.05	329.67	5.59	-34.46
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(F)C=C1Br	REAL300020235152	0	35	-1.0	-48.42	313.85	4.70	-43.72
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(F)C=C1Br	REAL300020235152	1	35	-1.0	-48.41	313.91	4.71	-43.70
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(F)C=C1Br	REAL300020235153	0	35	-1.0	-39.43	314.42	4.75	-34.68
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(F)C=C1Br	REAL300020235153	1	35	-1.0	-39.44	314.49	4.75	-34.69
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(F)C=C1Br	REAL300020235154	0	41	-1.0	-40.40	343.20	5.76	-34.64
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(F)C=C1Br	REAL300020235154	1	41	-1.0	-40.43	343.25	5.77	-34.66
CN1N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C1CC1	REAL300020235155	0	42	-1.0	-44.63	355.51	5.52	-39.11
CN1N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C1CC1	REAL300020235155	1	42	-1.0	-44.64	355.45	5.49	-39.15
CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C1CC1	REAL300020235156	0	42	-1.0	-46.64	336.28	5.03	-41.61
CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C1CC1	REAL300020235156	1	42	-1.0	-46.66	336.34	5.04	-41.62
CN1N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C1CC1	REAL300020235157	0	39	-1.0	-56.68	320.79	4.10	-52.58
CN1N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C1CC1	REAL300020235157	1	39	-1.0	-56.67	320.84	4.13	-52.54
CSCC[C@H](NC(=O)NC1=NN(C)C(C2CC2)=C1)C1=N[N-]N=N1	REAL300020235158	0	42	-1.0	-49.79	364.42	4.08	-45.71
CSCC[C@H](NC(=O)NC1=NN(C)C(C2CC2)=C1)C1=NN=N[N-]1	REAL300020235158	1	42	-1.0	-49.81	364.47	4.09	-45.72
CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1CC1	REAL300020235159	0	39	-1.0	-45.95	322.23	4.18	-41.77
CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1CC1	REAL300020235159	1	39	-1.0	-45.92	322.31	4.19	-41.73
CN1N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1CC1	REAL300020235160	0	45	-1.0	-52.53	344.29	5.89	-46.64
CN1N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1CC1	REAL300020235160	1	45	-1.0	-52.60	344.34	5.92	-46.68
CC(C)CN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C1CC1	REAL300020235161	0	51	-1.0	-44.27	414.23	7.01	-37.26
CC(C)CN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C1CC1	REAL300020235161	1	51	-1.0	-44.24	414.17	6.99	-37.25
CC(C)CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C1CC1	REAL300020235162	0	51	-1.0	-46.46	390.54	5.90	-40.56
CC(C)CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C1CC1	REAL300020235162	1	51	-1.0	-46.46	390.60	5.92	-40.54
CC(C)CN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C1CC1	REAL300020235163	0	48	-1.0	-58.65	379.34	5.48	-53.17
CC(C)CN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C1CC1	REAL300020235163	1	48	-1.0	-58.65	379.39	5.50	-53.15
CSCC[C@H](NC(=O)NC1=C(C2CC2)N(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300020235164	0	51	-1.0	-50.37	423.78	5.61	-44.76
CSCC[C@H](NC(=O)NC1=C(C2CC2)N(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300020235164	1	51	-1.0	-50.34	423.84	5.63	-44.71
CC(C)CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020235165	0	48	-1.0	-47.05	380.82	5.51	-41.54
CC(C)CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020235165	1	48	-1.0	-47.00	380.90	5.52	-41.48
CC(C)CN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C1CC1	REAL300020235166	0	54	-1.0	-56.39	398.18	7.01	-49.38
CC(C)CN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C1CC1	REAL300020235166	1	54	-1.0	-56.41	398.24	7.03	-49.38
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C2N=C1	REAL300020235167	0	43	-1.0	-50.16	360.38	5.91	-44.25
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C2N=C1	REAL300020235167	1	43	-1.0	-50.15	360.32	5.89	-44.26
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2N=C1	REAL300020235168	0	43	-1.0	-45.31	344.50	5.54	-39.77
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2N=C1	REAL300020235168	1	43	-1.0	-45.31	344.55	5.56	-39.75
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL300020235169	0	40	-1.0	-54.40	327.43	4.53	-49.87
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL300020235169	1	40	-1.0	-54.36	327.37	4.52	-49.84
CSCC[C@H](NC(=O)NC1=C(C)C=NC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020235170	0	43	-1.0	-48.86	375.71	4.76	-44.10
CSCC[C@H](NC(=O)NC1=C(C)C=NC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020235170	1	43	-1.0	-48.81	375.65	4.75	-44.06
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N=C1	REAL300020235171	0	40	-1.0	-44.74	326.38	4.38	-40.36
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N=C1	REAL300020235171	1	40	-1.0	-44.72	326.30	4.36	-40.36
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2N=C1	REAL300020235172	0	46	-1.0	-50.31	339.76	5.46	-44.85
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2N=C1	REAL300020235172	1	46	-1.0	-50.31	339.72	5.46	-44.85
CCC1=NC2=CC=CC=C2C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020235173	0	46	-1.0	-50.77	383.86	6.81	-43.96
CCC1=NC2=CC=CC=C2C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020235173	1	46	-1.0	-50.79	383.80	6.78	-44.01
CCC1=NC2=CC=CC=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020235174	0	46	-1.0	-45.63	363.97	6.23	-39.40
CCC1=NC2=CC=CC=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020235174	1	46	-1.0	-45.59	364.03	6.24	-39.35
CCC1=NC2=CC=CC=C2C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020235175	0	43	-1.0	-54.53	348.52	5.32	-49.21
CCC1=NC2=CC=CC=C2C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020235175	1	43	-1.0	-54.53	348.58	5.34	-49.19
CCC1=NC2=CC=CC=C2C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020235176	0	46	-1.0	-47.40	392.06	5.28	-42.12
CCC1=NC2=CC=CC=C2C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020235176	1	46	-1.0	-47.46	392.11	5.29	-42.17
CCC1=NC2=CC=CC=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020235177	0	43	-1.0	-45.16	349.87	5.39	-39.77
CCC1=NC2=CC=CC=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020235177	1	43	-1.0	-45.18	349.94	5.41	-39.77
CCC1=NC2=CC=CC=C2C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020235178	0	49	-1.0	-51.44	370.56	7.09	-44.35
CCC1=NC2=CC=CC=C2C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020235178	1	49	-1.0	-51.42	370.60	7.11	-44.31
CCSC1=CC=CC(F)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235179	0	42	-1.0	-48.63	368.31	6.88	-41.75
CCSC1=CC=CC(F)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235179	1	42	-1.0	-48.61	368.25	6.85	-41.76
CCSC1=CC=CC(F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235180	0	42	-1.0	-48.03	349.52	6.35	-41.68
CCSC1=CC=CC(F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235180	1	42	-1.0	-48.07	349.57	6.37	-41.70
CCSC1=CC=CC(F)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235181	0	39	-1.0	-57.68	340.11	5.60	-52.08
CCSC1=CC=CC(F)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235181	1	39	-1.0	-57.70	340.17	5.61	-52.09
CCSC1=CC=CC(F)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020235182	0	42	-1.0	-52.61	383.65	5.57	-47.04
CCSC1=CC=CC(F)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020235182	1	42	-1.0	-52.65	383.71	5.58	-47.07
CCSC1=CC=CC(F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235183	0	39	-1.0	-47.61	341.50	5.63	-41.98
CCSC1=CC=CC(F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235183	1	39	-1.0	-47.62	341.58	5.65	-41.97
CCSC1=CC=CC(F)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235184	0	45	-1.0	-49.50	360.34	6.20	-43.30
CCSC1=CC=CC(F)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235184	1	45	-1.0	-49.49	360.40	6.23	-43.26
O=C(NC1=CC=CC(Cl)=C1OCC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235185	0	42	-1.0	-43.75	367.86	5.61	-38.14
O=C(NC1=CC=CC(Cl)=C1OCC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235185	1	42	-1.0	-43.75	367.92	5.63	-38.12
O=C(NC1=CC=CC(Cl)=C1OCC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020235186	0	39	-1.0	-51.48	352.12	4.74	-46.74
O=C(NC1=CC=CC(Cl)=C1OCC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020235186	1	39	-1.0	-51.51	352.18	4.75	-46.76
O=C(NC1=CC=CC(Cl)=C1OCC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020235187	0	39	-1.0	-42.20	353.52	4.77	-37.43
O=C(NC1=CC=CC(Cl)=C1OCC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020235187	1	39	-1.0	-42.18	353.59	4.79	-37.39
O=C(NC1=CC=C2CN(CC(F)F)CC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235188	0	47	-1.0	-43.70	392.36	4.68	-39.02
O=C(NC1=CC=C2CN(CC(F)F)CC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235188	1	47	-1.0	-43.75	392.41	4.71	-39.04
O=C(NC1=CC=C2CN(CC(F)F)CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235189	0	47	-1.0	-45.12	374.59	4.24	-40.88
O=C(NC1=CC=C2CN(CC(F)F)CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235189	1	47	-1.0	-45.09	374.65	4.26	-40.83
O=C(NC1=CC=C2CN(CC(F)F)CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235190	0	44	-1.0	-55.69	358.30	3.23	-52.46
O=C(NC1=CC=C2CN(CC(F)F)CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235190	1	44	-1.0	-55.76	358.35	3.25	-52.51
CSCC[C@H](NC(=O)NC1=CC=C2CN(CC(F)F)CC2=C1)C1=N[N-]N=N1	REAL300020235191	0	47	-1.0	-47.39	401.84	3.19	-44.20
CSCC[C@H](NC(=O)NC1=CC=C2CN(CC(F)F)CC2=C1)C1=NN=N[N-]1	REAL300020235191	1	47	-1.0	-47.40	401.90	3.21	-44.19
O=C(NC1=CC=C2CN(CC(F)F)CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235192	0	44	-1.0	-46.29	359.95	3.15	-43.14
O=C(NC1=CC=C2CN(CC(F)F)CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235192	1	44	-1.0	-46.28	360.02	3.16	-43.12
O=C(NC1=CC=C2CN(CC(F)F)CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235193	0	50	-1.0	-43.91	387.51	4.20	-39.71
O=C(NC1=CC=C2CN(CC(F)F)CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235193	1	50	-1.0	-43.92	387.56	4.23	-39.69
COC(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020235194	0	39	-2.0	-85.82	355.31	1.52	-84.30
COC(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020235194	1	39	-2.0	-85.86	355.37	1.54	-84.32
COC(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235195	0	39	-2.0	-88.38	338.36	1.42	-86.96
COC(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235195	1	39	-2.0	-88.36	338.42	1.43	-86.93
COC(C)C1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020235196	0	36	-2.0	-108.71	322.53	0.29	-108.42
COC(C)C1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020235196	1	36	-2.0	-108.71	322.59	0.31	-108.40
COC(C)C1=NSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020235197	0	39	-2.0	-99.07	364.30	0.11	-98.96
COC(C)C1=NSC([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020235197	1	39	-2.0	-99.05	364.36	0.13	-98.92
COC(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020235198	0	36	-2.0	-88.43	323.28	0.34	-88.09
COC(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020235198	1	36	-2.0	-88.38	323.35	0.35	-88.03
COC(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020235199	0	42	-2.0	-108.88	346.86	2.28	-106.60
COC(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020235199	1	42	-2.0	-108.93	346.90	2.29	-106.64
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)C=C1	REAL300020235200	0	43	-2.0	-89.59	372.16	4.37	-85.22
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)C=C1	REAL300020235200	1	43	-2.0	-89.61	372.10	4.35	-85.26
COC1=CC=C(C2=NSC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=C1	REAL300020235201	0	40	-2.0	-110.06	356.32	3.23	-106.83
COC1=CC=C(C2=NSC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=C1	REAL300020235201	1	40	-2.0	-110.04	356.37	3.26	-106.78
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020235202	0	40	-2.0	-89.56	357.13	3.30	-86.26
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020235202	1	40	-2.0	-89.59	357.06	3.29	-86.30
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=C1	REAL300020235203	0	40	-2.0	-109.42	367.02	4.96	-104.46
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=C1	REAL300020235203	1	40	-2.0	-109.40	367.07	4.98	-104.42
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020235204	0	40	-2.0	-88.93	367.83	5.02	-83.91
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020235204	1	40	-2.0	-88.91	367.76	5.01	-83.90
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=C1	REAL300020235205	0	40	-2.0	-109.74	371.90	4.93	-104.81
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=C1	REAL300020235205	1	40	-2.0	-109.78	371.96	4.96	-104.82
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020235206	0	40	-2.0	-89.76	372.73	5.00	-84.76
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020235206	1	40	-2.0	-89.70	372.65	4.98	-84.72
CC(C)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=CS1	REAL300020235207	0	40	-1.0	-45.14	350.22	5.48	-39.66
CC(C)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=CS1	REAL300020235207	1	40	-1.0	-45.09	350.16	5.46	-39.63
CC(C)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=CS1	REAL300020235208	0	40	-1.0	-47.16	331.04	5.01	-42.15
CC(C)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=CS1	REAL300020235208	1	40	-1.0	-47.20	330.99	5.00	-42.20
CC(C)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=CS1	REAL300020235209	0	37	-1.0	-58.82	315.56	4.10	-54.72
CC(C)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=CS1	REAL300020235209	1	37	-1.0	-58.81	315.50	4.09	-54.72
CSCC[C@H](NC(=O)NC1=C(C(C)C)SC=N1)C1=NN=N[N-]1	REAL300020235210	0	40	-1.0	-51.14	359.19	4.06	-47.08
CSCC[C@H](NC(=O)NC1=C(C(C)C)SC=N1)C1=N[N-]N=N1	REAL300020235210	1	40	-1.0	-51.16	359.13	4.04	-47.12
CC(C)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=CS1	REAL300020235211	0	37	-1.0	-47.77	317.05	4.16	-43.61
CC(C)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=CS1	REAL300020235211	1	37	-1.0	-47.80	316.98	4.15	-43.65
CC(C)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=CS1	REAL300020235212	0	43	-1.0	-53.56	339.50	5.88	-47.68
CC(C)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=CS1	REAL300020235212	1	43	-1.0	-53.55	339.44	5.87	-47.68
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(C2CC2)=CC=N1	REAL300020235213	0	41	-1.0	-45.37	348.80	6.60	-38.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(C2CC2)=CC=N1	REAL300020235213	1	41	-1.0	-45.35	348.74	6.57	-38.78
O=C(NC1=CC(C2CC2)=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235214	0	41	-1.0	-44.06	326.82	5.48	-38.58
O=C(NC1=CC(C2CC2)=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235214	1	41	-1.0	-44.11	326.88	5.50	-38.61
CSCC[C@H](NC(=O)NC1=CC(C2CC2)=CC=N1)C1=N[N-]N=N1	REAL300020235215	0	41	-1.0	-51.47	357.74	5.16	-46.31
CSCC[C@H](NC(=O)NC1=CC(C2CC2)=CC=N1)C1=NN=N[N-]1	REAL300020235215	1	41	-1.0	-51.48	357.80	5.17	-46.31
O=C(NC1=CC(C2CC2)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235216	0	44	-1.0	-45.69	341.79	5.72	-39.97
O=C(NC1=CC(C2CC2)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235216	1	44	-1.0	-45.71	341.84	5.72	-39.99
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300020235217	0	45	-1.0	-45.68	377.64	6.48	-39.20
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300020235217	1	45	-1.0	-45.67	377.70	6.49	-39.18
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=C(Cl)C=C1	REAL300020235218	0	42	-1.0	-57.87	360.87	5.52	-52.35
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300020235218	1	42	-1.0	-57.88	360.93	5.52	-52.36
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020235219	0	42	-1.0	-47.05	362.34	5.55	-41.50
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(Cl)C=C1	REAL300020235219	1	42	-1.0	-47.05	362.42	5.56	-41.49
COC(=O)C1=C(F)C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1F	REAL300020235220	0	41	-1.0	-48.70	369.91	5.59	-43.11
COC(=O)C1=C(F)C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1F	REAL300020235220	1	41	-1.0	-48.71	369.97	5.62	-43.09
COC(=O)C1=C(F)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1F	REAL300020235221	0	41	-1.0	-43.07	352.43	5.11	-37.96
COC(=O)C1=C(F)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1F	REAL300020235221	1	41	-1.0	-43.09	352.49	5.13	-37.96
COC(=O)C1=C(F)C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1F	REAL300020235222	0	38	-1.0	-50.39	335.88	4.22	-46.17
COC(=O)C1=C(F)C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1F	REAL300020235222	1	38	-1.0	-50.40	335.94	4.23	-46.17
COC(=O)C1=C(F)C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1F	REAL300020235223	0	41	-1.0	-43.05	379.41	4.19	-38.86
COC(=O)C1=C(F)C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1F	REAL300020235223	1	41	-1.0	-43.09	379.47	4.20	-38.89
COC(=O)C1=C(F)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020235224	0	38	-1.0	-43.20	338.07	4.27	-38.93
COC(=O)C1=C(F)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020235224	1	38	-1.0	-43.19	338.14	4.29	-38.90
COC(=O)C1=C(F)C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020235225	0	44	-1.0	-46.32	359.96	6.01	-40.31
COC(=O)C1=C(F)C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020235225	1	44	-1.0	-46.32	360.01	6.01	-40.31
CCOC1=CC(Br)=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235226	0	39	-1.0	-52.06	345.33	4.38	-47.68
CCOC1=CC(Br)=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235226	1	39	-1.0	-52.05	345.39	4.40	-47.65
CCOC1=CC(Br)=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235227	0	39	-1.0	-42.77	346.70	4.44	-38.33
CCOC1=CC(Br)=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235227	1	39	-1.0	-42.78	346.77	4.45	-38.33
O=C(NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235228	0	46	-1.0	-42.80	388.52	7.67	-35.13
O=C(NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235228	1	46	-1.0	-42.78	388.58	7.68	-35.10
O=C(NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235229	0	43	-1.0	-52.60	373.70	6.75	-45.85
O=C(NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235229	1	43	-1.0	-52.64	373.76	6.76	-45.88
O=C(NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235230	0	43	-1.0	-43.83	376.08	6.79	-37.04
O=C(NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235230	1	43	-1.0	-43.80	376.16	6.80	-37.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C2CCCC2=CC2=C1CCC2	REAL300020235231	0	49	-1.0	-41.94	388.21	8.42	-33.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C2CCCC2=CC2=C1CCC2	REAL300020235231	1	49	-1.0	-41.96	388.15	8.40	-33.56
O=C(NC1=C2CCCC2=CC2=C1CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235232	0	49	-1.0	-43.97	370.72	7.95	-36.02
O=C(NC1=C2CCCC2=CC2=C1CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235232	1	49	-1.0	-43.95	370.78	7.97	-35.98
O=C(NC1=C2CCCC2=CC2=C1CCC2)N1CCCC1C1=N[N-]N=N1	REAL300020235233	0	46	-1.0	-57.48	363.97	7.25	-50.23
O=C(NC1=C2CCCC2=CC2=C1CCC2)N1CCCC1C1=NN=N[N-]1	REAL300020235233	1	46	-1.0	-57.47	364.02	7.28	-50.19
CSCC[C@H](NC(=O)NC1=C2CCCC2=CC2=C1CCC2)C1=N[N-]N=N1	REAL300020235234	0	49	-1.0	-50.25	407.49	7.23	-43.02
CSCC[C@H](NC(=O)NC1=C2CCCC2=CC2=C1CCC2)C1=NN=N[N-]1	REAL300020235234	1	49	-1.0	-50.24	407.55	7.24	-43.00
O=C(NC1=C2CCCC2=CC2=C1CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020235235	0	46	-1.0	-45.97	365.32	7.30	-38.67
O=C(NC1=C2CCCC2=CC2=C1CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020235235	1	46	-1.0	-45.98	365.39	7.32	-38.66
O=C(NC1=C2CCCC2=CC2=C1CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020235236	0	52	-1.0	-45.29	378.33	7.57	-37.72
O=C(NC1=C2CCCC2=CC2=C1CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020235236	1	52	-1.0	-45.35	378.38	7.57	-37.78
N#CC1=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=CC=N1	REAL300020235237	0	46	-1.0	-45.11	388.98	5.77	-39.34
N#CC1=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=CC=N1	REAL300020235237	1	46	-1.0	-45.07	388.92	5.76	-39.31
N#CC1=CC(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=CC=N1	REAL300020235238	0	43	-1.0	-55.83	373.40	4.78	-51.05
N#CC1=CC(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=CC=N1	REAL300020235238	1	43	-1.0	-55.84	373.34	4.77	-51.07
N#CC1=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=CC=N1	REAL300020235239	0	43	-1.0	-46.19	375.37	4.83	-41.36
N#CC1=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=CC=N1	REAL300020235239	1	43	-1.0	-46.19	375.30	4.82	-41.37
CC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=N1	REAL300020235240	0	43	-1.0	-43.97	356.83	5.08	-38.89
CC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=N1	REAL300020235240	1	43	-1.0	-44.00	356.89	5.11	-38.89
CC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020235241	0	43	-1.0	-43.46	337.05	4.58	-38.88
CC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020235241	1	43	-1.0	-43.49	337.10	4.60	-38.89
CC1=CC(C)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020235242	0	40	-1.0	-52.51	321.69	3.45	-49.06
CC1=CC(C)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020235242	1	40	-1.0	-52.49	321.74	3.48	-49.01
CSCC[C@H](NC(=O)NC1=C(C)C=C(C)N=C1C)C1=N[N-]N=N1	REAL300020235243	0	43	-1.0	-46.69	365.37	3.41	-43.28
CSCC[C@H](NC(=O)NC1=C(C)C=C(C)N=C1C)C1=NN=N[N-]1	REAL300020235243	1	43	-1.0	-46.68	365.43	3.43	-43.25
CC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020235244	0	40	-1.0	-43.83	323.95	3.58	-40.25
CC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020235244	1	40	-1.0	-43.82	324.02	3.59	-40.23
CC1=CC(C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020235245	0	46	-1.0	-50.60	347.27	5.47	-45.13
CC1=CC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020235245	1	46	-1.0	-50.59	347.30	5.47	-45.12
COC1=CN=CN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235246	0	37	-1.0	-56.76	322.95	3.67	-53.09
COC1=CN=CN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235246	1	37	-1.0	-56.79	322.90	3.65	-53.14
COC1=CN=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235247	0	37	-1.0	-46.88	303.79	3.20	-43.68
COC1=CN=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235247	1	37	-1.0	-46.89	303.73	3.18	-43.71
COC1=CN=CN=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020235248	0	37	-1.0	-50.18	331.94	2.25	-47.93
COC1=CN=CN=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020235248	1	37	-1.0	-50.18	331.88	2.23	-47.95
COC1=CN=CN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235249	0	40	-1.0	-52.73	312.25	4.06	-48.67
COC1=CN=CN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235249	1	40	-1.0	-52.77	312.19	4.04	-48.73
CC1=CC(C(F)(F)F)=NC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235250	0	40	-1.0	-46.79	357.26	4.98	-41.81
CC1=CC(C(F)(F)F)=NC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235250	1	40	-1.0	-46.81	357.32	5.01	-41.80
CC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235251	0	40	-1.0	-44.00	335.45	4.33	-39.67
CC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235251	1	40	-1.0	-44.03	335.51	4.35	-39.68
CC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235252	0	37	-1.0	-53.98	321.99	3.54	-50.44
CC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235252	1	37	-1.0	-53.97	322.05	3.56	-50.41
CSCC[C@H](NC(=O)NC1=CN=C(C(F)(F)F)C=C1C)C1=N[N-]N=N1	REAL300020235253	0	40	-1.0	-46.91	365.51	3.49	-43.42
CSCC[C@H](NC(=O)NC1=CN=C(C(F)(F)F)C=C1C)C1=NN=N[N-]1	REAL300020235253	1	40	-1.0	-46.87	365.57	3.50	-43.37
CC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235254	0	37	-1.0	-45.92	322.53	3.50	-42.42
CC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235254	1	37	-1.0	-45.86	322.61	3.52	-42.34
CC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235255	0	43	-1.0	-52.78	343.58	5.26	-47.52
CC1=CC(C(F)(F)F)=NC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235255	1	43	-1.0	-52.80	343.63	5.27	-47.53
O=C(NC1=CC=C(F)C(N2CCCNC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235256	0	48	-1.0	-49.74	385.95	4.24	-45.50
O=C(NC1=CC=C(F)C(N2CCCNC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235256	1	48	-1.0	-49.80	386.01	4.26	-45.54
O=C(NC1=CC=C(F)C(N2CCCNC2=O)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235257	0	45	-1.0	-67.66	371.73	3.31	-64.35
O=C(NC1=CC=C(F)C(N2CCCNC2=O)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235257	1	45	-1.0	-67.68	371.79	3.33	-64.35
O=C(NC1=CC=C(F)C(N2CCCNC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235258	0	45	-1.0	-56.66	373.08	3.35	-53.31
O=C(NC1=CC=C(F)C(N2CCCNC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235258	1	45	-1.0	-56.68	373.15	3.37	-53.31
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CN=C1Cl	REAL300020235259	0	37	-1.0	-40.91	330.83	4.23	-36.68
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CN=C1Cl	REAL300020235259	1	37	-1.0	-40.86	330.77	4.21	-36.65
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CN=C1Cl	REAL300020235260	0	37	-1.0	-42.29	310.76	3.76	-38.53
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CN=C1Cl	REAL300020235260	1	37	-1.0	-42.27	310.70	3.74	-38.53
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CN=C1Cl	REAL300020235261	0	34	-1.0	-50.61	296.65	2.86	-47.75
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CN=C1Cl	REAL300020235261	1	34	-1.0	-50.59	296.59	2.85	-47.74
CSCC[C@H](NC(=O)NC1=CC=NC(Cl)=C1C)C1=NN=N[N-]1	REAL300020235262	0	37	-1.0	-43.79	339.24	2.78	-41.01
CSCC[C@H](NC(=O)NC1=CC=NC(Cl)=C1C)C1=N[N-]N=N1	REAL300020235262	1	37	-1.0	-43.81	339.19	2.77	-41.04
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CN=C1Cl	REAL300020235263	0	34	-1.0	-42.00	297.13	2.89	-39.11
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CN=C1Cl	REAL300020235263	1	34	-1.0	-41.98	297.06	2.87	-39.11
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CN=C1Cl	REAL300020235264	0	40	-1.0	-46.57	318.63	4.58	-41.99
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CN=C1Cl	REAL300020235264	1	40	-1.0	-46.56	318.57	4.56	-42.00
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C1CCCCC1	REAL300020235265	0	51	-1.0	-50.11	408.60	7.45	-42.66
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C1CCCCC1	REAL300020235265	1	51	-1.0	-50.12	408.66	7.48	-42.64
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1CCCCC1	REAL300020235266	0	51	-1.0	-46.08	389.39	6.98	-39.10
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1CCCCC1	REAL300020235266	1	51	-1.0	-46.07	389.45	7.00	-39.07
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1CCCCC1	REAL300020235267	0	48	-1.0	-55.29	373.94	6.07	-49.22
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1CCCCC1	REAL300020235267	1	48	-1.0	-55.34	374.00	6.09	-49.25
CSCC[C@H](NC(=O)NC1=NN(C2CCCCC2)C(C)=C1)C1=N[N-]N=N1	REAL300020235268	0	51	-1.0	-48.81	417.57	6.04	-42.77
CSCC[C@H](NC(=O)NC1=NN(C2CCCCC2)C(C)=C1)C1=NN=N[N-]1	REAL300020235268	1	51	-1.0	-48.82	417.62	6.05	-42.77
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1CCCCC1	REAL300020235269	0	48	-1.0	-45.04	375.41	6.12	-38.92
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1CCCCC1	REAL300020235269	1	48	-1.0	-45.04	375.48	6.13	-38.91
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1CCCCC1	REAL300020235270	0	54	-1.0	-51.37	397.46	7.85	-43.52
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1CCCCC1	REAL300020235270	1	54	-1.0	-51.38	397.51	7.88	-43.50
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1COC2=O	REAL300020235271	0	39	-1.0	-44.55	340.35	5.20	-39.35
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1COC2=O	REAL300020235271	1	39	-1.0	-44.54	340.30	5.17	-39.37
O=C(NC1=C2COC(=O)C2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235272	0	39	-1.0	-45.49	320.78	4.70	-40.79
O=C(NC1=C2COC(=O)C2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235272	1	39	-1.0	-45.51	320.84	4.71	-40.80
O=C(NC1=C2COC(=O)C2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235273	0	36	-1.0	-52.78	306.16	3.77	-49.01
O=C(NC1=C2COC(=O)C2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235273	1	36	-1.0	-52.74	306.22	3.78	-48.96
CSCC[C@H](NC(=O)NC1=CC=CC2=C1COC2=O)C1=N[N-]N=N1	REAL300020235274	0	39	-1.0	-47.56	350.41	3.74	-43.82
CSCC[C@H](NC(=O)NC1=CC=CC2=C1COC2=O)C1=NN=N[N-]1	REAL300020235274	1	39	-1.0	-47.62	350.46	3.75	-43.87
O=C(NC1=C2COC(=O)C2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235275	0	36	-1.0	-45.98	308.25	3.83	-42.15
O=C(NC1=C2COC(=O)C2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235275	1	36	-1.0	-46.02	308.32	3.84	-42.18
O=C(NC1=C2COC(=O)C2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235276	0	42	-1.0	-39.60	335.49	4.93	-34.67
O=C(NC1=C2COC(=O)C2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235276	1	42	-1.0	-39.66	335.55	4.94	-34.72
O=C(NC1=CC(F)=C(Cl)C=C1N1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020235277	0	45	-1.0	-51.01	377.34	3.36	-47.65
O=C(NC1=CC(F)=C(Cl)C=C1N1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020235277	1	45	-1.0	-51.05	377.39	3.38	-47.67
O=C(NC1=CC(F)=C(Cl)C=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235278	0	45	-1.0	-42.43	378.66	3.44	-38.99
O=C(NC1=CC(F)=C(Cl)C=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235278	1	45	-1.0	-42.41	378.73	3.45	-38.96
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C#N)C=C1N(C)C	REAL300020235279	0	47	-1.0	-40.92	396.25	5.93	-34.99
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C#N)C=C1N(C)C	REAL300020235279	1	47	-1.0	-40.92	396.19	5.90	-35.02
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C#N)C=C1N(C)C	REAL300020235280	0	47	-1.0	-41.16	378.08	5.40	-35.76
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C#N)C=C1N(C)C	REAL300020235280	1	47	-1.0	-41.16	378.14	5.42	-35.74
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(C#N)C=C1N(C)C	REAL300020235281	0	44	-1.0	-48.94	362.33	4.52	-44.42
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(C#N)C=C1N(C)C	REAL300020235281	1	44	-1.0	-48.89	362.39	4.54	-44.35
CSCC[C@H](NC(=O)NC1=CC(C)=C(N(C)C)C=C1C#N)C1=N[N-]N=N1	REAL300020235282	0	47	-1.0	-44.80	405.91	4.48	-40.32
CSCC[C@H](NC(=O)NC1=CC(C)=C(N(C)C)C=C1C#N)C1=NN=N[N-]1	REAL300020235282	1	47	-1.0	-44.80	405.96	4.49	-40.31
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C#N)C=C1N(C)C	REAL300020235283	0	44	-1.0	-41.09	363.72	4.57	-36.52
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C#N)C=C1N(C)C	REAL300020235283	1	44	-1.0	-41.11	363.79	4.58	-36.53
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C#N)C=C1N(C)C	REAL300020235284	0	50	-1.0	-46.11	385.69	6.30	-39.81
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C#N)C=C1N(C)C	REAL300020235284	1	50	-1.0	-46.12	385.74	6.30	-39.82
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)S2	REAL300020235285	0	46	-2.0	-91.76	385.27	5.35	-86.41
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)S2	REAL300020235285	1	46	-2.0	-91.74	385.21	5.32	-86.42
CC1(C)CCCC2=C1N=C(NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)S2	REAL300020235285	1	47	-1.0	-41.03	388.54	6.55	-34.48
CC1(C)CCCC2=C1N=C(NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)S2	REAL300020235285	1	47	-1.0	-41.03	388.48	6.52	-34.51
CC1(C)CCCC2=C1N=C(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)S2	REAL300020235286	0	47	-1.0	-42.91	369.44	6.10	-36.81
CC1(C)CCCC2=C1N=C(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)S2	REAL300020235286	1	47	-1.0	-42.93	369.38	6.08	-36.85
CC1(C)CCCC2=C1N=C(NC(=O)N1CCCC1C1=NN=N[N-]1)S2	REAL300020235287	0	44	-1.0	-50.86	353.88	5.16	-45.70
CC1(C)CCCC2=C1N=C(NC(=O)N1CCCC1C1=N[N-]N=N1)S2	REAL300020235287	1	44	-1.0	-50.84	353.82	5.15	-45.69
CSCC[C@H](NC(=O)NC1=NC2=C(CCCC2(C)C)S1)C1=NN=N[N-]1	REAL300020235288	0	47	-1.0	-44.81	397.49	5.13	-39.68
CSCC[C@H](NC(=O)NC1=NC2=C(CCCC2(C)C)S1)C1=N[N-]N=N1	REAL300020235288	1	47	-1.0	-44.78	397.44	5.12	-39.66
CC1(C)CCCC2=C1N=C(NC(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020235289	0	44	-1.0	-41.56	355.37	5.21	-36.35
CC1(C)CCCC2=C1N=C(NC(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020235289	1	44	-1.0	-41.54	355.29	5.20	-36.34
CC1(C)CCCC2=C1N=C(NC(=O)N1CCCCC1CC1=NN=N[N-]1)S2	REAL300020235290	0	50	-1.0	-47.41	377.73	6.95	-40.46
CC1(C)CCCC2=C1N=C(NC(=O)N1CCCCC1CC1=N[N-]N=N1)S2	REAL300020235290	1	50	-1.0	-47.38	377.70	6.95	-40.43
COC1=NN=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235291	0	37	-1.0	-40.95	323.34	0.34	-40.61
COC1=NN=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235291	1	37	-1.0	-40.91	323.29	0.31	-40.60
COC1=NN=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235292	0	37	-1.0	-41.86	303.36	-0.18	-42.04
COC1=NN=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235292	1	37	-1.0	-41.83	303.30	-0.20	-42.03
COC1=NN=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020235293	0	37	-1.0	-44.29	332.86	-1.10	-45.39
COC1=NN=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020235293	1	37	-1.0	-44.29	332.80	-1.12	-45.41
COC1=NN=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235294	0	40	-1.0	-45.08	311.55	0.77	-44.31
COC1=NN=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235294	1	40	-1.0	-45.10	311.50	0.75	-44.35
CC1=CC(F)=C(C(F)(F)F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235295	0	41	-1.0	-58.00	365.86	6.71	-51.29
CC1=CC(F)=C(C(F)(F)F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235295	1	41	-1.0	-58.02	365.92	6.74	-51.28
CC1=CC(F)=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235296	0	41	-1.0	-44.65	345.38	6.20	-38.45
CC1=CC(F)=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235296	1	41	-1.0	-44.64	345.44	6.21	-38.43
CC1=CC(F)=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235297	0	38	-1.0	-57.36	331.55	5.36	-52.00
CC1=CC(F)=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235297	1	38	-1.0	-57.39	331.60	5.37	-52.02
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=C(F)C=C1C)C1=N[N-]N=N1	REAL300020235298	0	41	-1.0	-50.18	374.12	5.26	-44.92
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=C(F)C=C1C)C1=NN=N[N-]1	REAL300020235298	1	41	-1.0	-50.18	374.17	5.27	-44.91
CC1=CC(F)=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235299	0	38	-1.0	-46.11	331.96	5.36	-40.75
CC1=CC(F)=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235299	1	38	-1.0	-46.08	332.03	5.38	-40.70
CC1=CC(F)=C(C(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235300	0	44	-1.0	-37.75	360.30	6.33	-31.42
CC1=CC(F)=C(C(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235300	1	44	-1.0	-37.75	360.35	6.35	-31.40
O=C(NC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235301	0	42	-1.0	-52.90	368.34	5.54	-47.36
O=C(NC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235301	1	42	-1.0	-52.88	368.28	5.52	-47.36
O=C(NC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235302	0	42	-1.0	-45.00	369.72	5.58	-39.42
O=C(NC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235302	1	42	-1.0	-44.99	369.65	5.58	-39.41
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235303	0	44	-1.0	-44.18	374.80	6.68	-37.50
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235303	1	44	-1.0	-44.13	374.75	6.65	-37.48
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235304	0	44	-1.0	-45.98	354.43	6.22	-39.76
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235304	1	44	-1.0	-45.99	354.37	6.20	-39.79
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235305	0	41	-1.0	-58.80	340.42	5.27	-53.53
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235305	1	41	-1.0	-58.82	340.36	5.26	-53.56
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020235306	0	44	-1.0	-55.29	383.95	5.23	-50.06
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020235306	1	44	-1.0	-55.31	383.90	5.22	-50.09
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235307	0	41	-1.0	-49.24	341.82	5.31	-43.93
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235307	1	41	-1.0	-49.24	341.75	5.30	-43.94
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235308	0	47	-1.0	-51.63	361.28	7.15	-44.48
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235308	1	47	-1.0	-51.59	361.25	7.13	-44.46
NC(=O)C1=CC=C(OCC(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020235309	0	46	-1.0	-61.32	382.32	1.74	-59.58
NC(=O)C1=CC=C(OCC(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020235309	1	46	-1.0	-61.30	382.37	1.75	-59.55
NC(=O)C1=CC=C(OCC(F)F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020235310	0	43	-1.0	-73.11	365.78	0.85	-72.26
NC(=O)C1=CC=C(OCC(F)F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020235310	1	43	-1.0	-73.07	365.84	0.87	-72.20
NC(=O)C1=CC=C(OCC(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020235311	0	43	-1.0	-61.47	367.16	0.90	-60.57
NC(=O)C1=CC=C(OCC(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020235311	1	43	-1.0	-61.48	367.24	0.91	-60.57
CC(C)C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020235312	0	51	-1.0	-45.54	401.48	8.47	-37.07
CC(C)C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020235312	1	51	-1.0	-45.56	401.54	8.49	-37.07
CC(C)C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020235313	0	48	-1.0	-55.98	386.01	7.56	-48.42
CC(C)C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020235313	1	48	-1.0	-56.02	386.07	7.57	-48.45
CC(C)C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020235314	0	48	-1.0	-44.83	387.48	7.61	-37.22
CC(C)C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020235314	1	48	-1.0	-44.81	387.55	7.62	-37.19
CC(C)C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020235315	0	54	-1.0	-52.88	409.52	9.36	-43.52
CC(C)C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020235315	1	54	-1.0	-52.86	409.57	9.37	-43.49
O=C(NC1=NN2C=CC(Cl)=CC2=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235316	0	37	-1.0	-54.05	344.08	7.47	-46.58
O=C(NC1=NN2C=CC(Cl)=CC2=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235316	1	37	-1.0	-54.09	344.03	7.45	-46.64
O=C(NC1=NN2C=CC(Cl)=CC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235317	0	37	-1.0	-50.58	324.82	7.15	-43.43
O=C(NC1=NN2C=CC(Cl)=CC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235317	1	37	-1.0	-50.55	324.77	7.14	-43.41
O=C(NC1=NN2C=CC(Cl)=CC2=N1)N1CCCC1C1=NN=N[N-]1	REAL300020235318	0	34	-1.0	-59.00	309.43	6.09	-52.91
O=C(NC1=NN2C=CC(Cl)=CC2=N1)N1CCCC1C1=N[N-]N=N1	REAL300020235318	1	34	-1.0	-58.97	309.37	6.08	-52.89
CSCC[C@H](NC(=O)NC1=NN2C=CC(Cl)=CC2=N1)C1=NN=N[N-]1	REAL300020235319	0	37	-1.0	-52.00	353.05	6.05	-45.95
CSCC[C@H](NC(=O)NC1=NN2C=CC(Cl)=CC2=N1)C1=N[N-]N=N1	REAL300020235319	1	37	-1.0	-52.06	352.99	6.03	-46.03
O=C(NC1=NN2C=CC(Cl)=CC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235320	0	34	-1.0	-50.79	310.91	6.31	-44.48
O=C(NC1=NN2C=CC(Cl)=CC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235320	1	34	-1.0	-50.77	310.83	6.30	-44.47
O=C(NC1=NN2C=CC(Cl)=CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235321	0	40	-1.0	-54.87	333.10	7.85	-47.02
O=C(NC1=NN2C=CC(Cl)=CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235321	1	40	-1.0	-54.88	333.05	7.86	-47.02
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020235322	0	36	-1.0	-48.08	329.54	5.27	-42.81
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020235322	1	36	-1.0	-48.14	329.48	5.24	-42.90
N#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020235323	0	36	-1.0	-45.76	310.76	4.71	-41.05
N#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020235323	1	36	-1.0	-45.82	310.82	4.73	-41.09
N#CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020235324	0	33	-1.0	-49.47	295.51	3.79	-45.68
N#CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020235324	1	33	-1.0	-49.46	295.57	3.81	-45.65
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C(F)=C1)C1=N[N-]N=N1	REAL300020235325	0	36	-1.0	-48.05	339.00	3.76	-44.29
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C(F)=C1)C1=NN=N[N-]1	REAL300020235325	1	36	-1.0	-48.05	339.06	3.78	-44.27
N#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020235326	0	33	-1.0	-47.70	296.55	3.88	-43.82
N#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020235326	1	33	-1.0	-47.70	296.63	3.89	-43.81
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020235327	0	39	-1.0	-37.61	325.17	4.92	-32.69
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020235327	1	39	-1.0	-37.53	325.22	4.94	-32.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1OCC(=O)N2	REAL300020235328	0	41	-1.0	-43.37	352.05	2.15	-41.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1OCC(=O)N2	REAL300020235328	1	41	-1.0	-43.35	351.99	2.12	-41.23
O=C(NC1=CC=CC2=C1OCC(=O)N2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235329	0	41	-1.0	-44.95	334.36	1.61	-43.34
O=C(NC1=CC=CC2=C1OCC(=O)N2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235329	1	41	-1.0	-45.01	334.42	1.62	-43.39
O=C(NC1=CC=CC2=C1OCC(=O)N2)N1CCCC1C1=N[N-]N=N1	REAL300020235330	0	38	-1.0	-53.85	318.61	0.73	-53.12
O=C(NC1=CC=CC2=C1OCC(=O)N2)N1CCCC1C1=NN=N[N-]1	REAL300020235330	1	38	-1.0	-53.85	318.67	0.74	-53.11
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OCC(=O)N2)C1=N[N-]N=N1	REAL300020235331	0	41	-1.0	-47.32	362.16	0.70	-46.62
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OCC(=O)N2)C1=NN=N[N-]1	REAL300020235331	1	41	-1.0	-47.31	362.22	0.71	-46.60
O=C(NC1=CC=CC2=C1OCC(=O)N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020235332	0	38	-1.0	-44.25	319.19	0.80	-43.45
O=C(NC1=CC=CC2=C1OCC(=O)N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020235332	1	38	-1.0	-44.24	319.27	0.81	-43.43
O=C(NC1=CC=CC2=C1OCC(=O)N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020235333	0	44	-1.0	-48.09	341.77	2.51	-45.58
O=C(NC1=CC=CC2=C1OCC(=O)N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020235333	1	44	-1.0	-48.12	341.83	2.53	-45.59
O=C(NC1=CC(C(F)(F)F)=CC(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235334	0	44	-1.0	-42.72	366.43	6.41	-36.31
O=C(NC1=CC(C(F)(F)F)=CC(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235334	1	44	-1.0	-42.72	366.49	6.42	-36.30
O=C(NC1=CC(C(F)(F)F)=CC(C2CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020235335	0	41	-1.0	-56.59	353.58	6.11	-50.48
O=C(NC1=CC(C(F)(F)F)=CC(C2CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020235335	1	41	-1.0	-56.59	353.64	6.12	-50.47
O=C(NC1=CC(C(F)(F)F)=CC(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235336	0	41	-1.0	-46.45	355.16	6.18	-40.27
O=C(NC1=CC(C(F)(F)F)=CC(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235336	1	41	-1.0	-46.48	355.24	6.19	-40.29
O=C(NC1=CC(C(F)(F)F)=CC(C2CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235337	0	47	-1.0	-43.38	381.73	7.03	-36.35
O=C(NC1=CC(C(F)(F)F)=CC(C2CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235337	1	47	-1.0	-43.37	381.77	7.04	-36.33
O=C(NC1=CC=C2COC(=O)C2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235338	0	39	-1.0	-46.56	341.25	5.22	-41.34
O=C(NC1=CC=C2COC(=O)C2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235338	1	39	-1.0	-46.59	341.20	5.20	-41.39
O=C(NC1=CC=C2COC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235339	0	39	-1.0	-47.10	321.18	4.69	-42.41
O=C(NC1=CC=C2COC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235339	1	39	-1.0	-47.11	321.23	4.70	-42.41
O=C(NC1=CC=C2COC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235340	0	36	-1.0	-73.78	307.05	3.72	-70.06
O=C(NC1=CC=C2COC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235340	1	36	-1.0	-73.77	307.11	3.74	-70.03
CSCC[C@H](NC(=O)NC1=CC=C2COC(=O)C2=C1)C1=N[N-]N=N1	REAL300020235341	0	39	-1.0	-49.35	350.71	3.69	-45.66
CSCC[C@H](NC(=O)NC1=CC=C2COC(=O)C2=C1)C1=NN=N[N-]1	REAL300020235341	1	39	-1.0	-49.40	350.77	3.71	-45.69
O=C(NC1=CC=C2COC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235342	0	36	-1.0	-57.77	308.56	3.79	-53.98
O=C(NC1=CC=C2COC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235342	1	36	-1.0	-57.77	308.63	3.80	-53.97
O=C(NC1=CC=C2COC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235343	0	42	-1.0	-48.58	330.08	5.66	-42.92
O=C(NC1=CC=C2COC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235343	1	42	-1.0	-48.56	330.13	5.66	-42.90
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=CC=C(F)C=C1F	REAL300020235344	0	45	-1.0	-48.40	375.13	7.14	-41.26
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=CC=C(F)C=C1F	REAL300020235344	1	45	-1.0	-48.41	375.18	7.16	-41.25
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=C(F)C=C1F	REAL300020235345	0	42	-1.0	-55.36	359.95	6.22	-49.14
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=C(F)C=C1F	REAL300020235345	1	42	-1.0	-55.42	360.01	6.24	-49.18
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(F)C=C1F	REAL300020235346	0	42	-1.0	-46.46	361.36	6.27	-40.19
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(F)C=C1F	REAL300020235346	1	42	-1.0	-46.48	361.43	6.29	-40.19
O=C(NC1=CC=C(OC2=CC=CN=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235347	0	45	-1.0	-44.93	387.85	5.84	-39.09
O=C(NC1=CC=C(OC2=CC=CN=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235347	1	45	-1.0	-44.91	387.80	5.81	-39.10
O=C(NC1=CC=C(OC2=CC=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235348	0	45	-1.0	-47.30	367.72	5.32	-41.98
O=C(NC1=CC=C(OC2=CC=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235348	1	45	-1.0	-47.29	367.67	5.30	-41.99
O=C(NC1=CC=C(OC2=CC=CN=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235349	0	42	-1.0	-53.79	351.86	4.50	-49.29
O=C(NC1=CC=C(OC2=CC=CN=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235349	1	42	-1.0	-53.79	351.80	4.48	-49.31
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL300020235350	0	45	-1.0	-50.16	397.01	4.49	-45.67
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL300020235350	1	45	-1.0	-50.22	396.95	4.47	-45.75
O=C(NC1=CC=C(OC2=CC=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235351	0	42	-1.0	-46.87	354.24	4.50	-42.37
O=C(NC1=CC=C(OC2=CC=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235351	1	42	-1.0	-46.84	354.17	4.48	-42.36
O=C(NC1=CC=C(OC2=CC=CN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235352	0	48	-1.0	-53.89	377.05	6.32	-47.57
O=C(NC1=CC=C(OC2=CC=CN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235352	1	48	-1.0	-53.87	377.00	6.31	-47.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C1CC1)C(F)(F)F	REAL300020235353	0	38	-1.0	-44.89	332.50	4.42	-40.47
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C1CC1)C(F)(F)F	REAL300020235353	1	38	-1.0	-44.86	332.44	4.39	-40.47
O=C(NC(C1CC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235354	0	38	-1.0	-42.14	313.77	3.87	-38.27
O=C(NC(C1CC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235354	1	38	-1.0	-42.16	313.83	3.89	-38.27
O=C(NC(C1CC1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020235355	0	35	-1.0	-50.73	291.26	2.79	-47.94
O=C(NC(C1CC1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020235355	1	35	-1.0	-50.71	291.31	2.80	-47.91
CSCC[C@H](NC(=O)NC(C1CC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020235356	0	38	-1.0	-44.55	341.70	2.94	-41.61
CSCC[C@H](NC(=O)NC(C1CC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020235356	1	38	-1.0	-44.53	341.75	2.95	-41.58
O=C(NC(C1CC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020235357	0	35	-1.0	-42.76	292.73	2.86	-39.90
O=C(NC(C1CC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020235357	1	35	-1.0	-42.82	292.80	2.87	-39.95
O=C(NC(C1CC1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020235358	0	41	-1.0	-46.72	314.86	4.61	-42.11
O=C(NC(C1CC1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020235358	1	41	-1.0	-46.67	314.90	4.62	-42.05
COC1=CC(F)=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235359	0	39	-1.0	-54.85	343.41	4.33	-50.52
COC1=CC(F)=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235359	1	39	-1.0	-54.84	343.35	4.31	-50.53
COC1=CC(F)=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235360	0	39	-1.0	-44.00	324.21	3.86	-40.14
COC1=CC(F)=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235360	1	39	-1.0	-43.98	324.27	3.87	-40.11
COC1=CC(F)=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235361	0	36	-1.0	-54.80	310.01	2.91	-51.89
COC1=CC(F)=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235361	1	36	-1.0	-54.80	310.07	2.94	-51.86
COC1=CC(F)=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020235362	0	39	-1.0	-47.92	352.73	2.86	-45.06
COC1=CC(F)=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020235362	1	39	-1.0	-47.92	352.78	2.88	-45.04
COC1=CC(F)=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235363	0	36	-1.0	-43.91	310.56	2.97	-40.94
COC1=CC(F)=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235363	1	36	-1.0	-43.94	310.63	2.98	-40.96
COC1=CC(F)=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235364	0	42	-1.0	-49.29	333.18	4.69	-44.60
COC1=CC(F)=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235364	1	42	-1.0	-49.29	333.24	4.69	-44.60
COC1=CC(Cl)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020235365	0	42	-1.0	-50.76	367.39	5.47	-45.29
COC1=CC(Cl)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020235365	1	42	-1.0	-50.76	367.33	5.44	-45.32
COC1=CC(Cl)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020235366	0	42	-1.0	-42.06	348.75	4.96	-37.10
COC1=CC(Cl)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020235366	1	42	-1.0	-42.05	348.81	4.97	-37.08
COC1=CC(Cl)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020235367	0	39	-1.0	-51.91	332.99	4.08	-47.83
COC1=CC(Cl)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020235367	1	39	-1.0	-51.89	333.05	4.09	-47.80
COC1=CC(Cl)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020235368	0	42	-1.0	-45.13	376.55	4.04	-41.09
COC1=CC(Cl)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020235368	1	42	-1.0	-45.13	376.60	4.06	-41.07
COC1=CC(Cl)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020235369	0	39	-1.0	-41.98	334.40	4.12	-37.86
COC1=CC(Cl)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020235369	1	39	-1.0	-41.94	334.47	4.13	-37.81
COC1=CC(Cl)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020235370	0	45	-1.0	-41.71	362.21	5.10	-36.61
COC1=CC(Cl)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020235370	1	45	-1.0	-41.76	362.26	5.11	-36.65
CCOC(=O)C(C)(C)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235371	0	49	-1.0	-44.35	403.71	5.99	-38.36
CCOC(=O)C(C)(C)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235371	1	49	-1.0	-44.35	403.65	5.98	-38.37
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235371	1	48	-2.0	-91.87	402.66	5.15	-86.72
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235371	1	48	-2.0	-91.87	402.60	5.14	-86.73
CCOC(=O)C(C)(C)C1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020235372	0	46	-1.0	-52.38	388.30	5.09	-47.29
CCOC(=O)C(C)(C)C1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020235372	1	46	-1.0	-52.37	388.24	5.07	-47.30
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020235372	1	45	-2.0	-112.79	386.80	4.02	-108.77
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020235372	1	45	-2.0	-112.79	386.85	4.03	-108.76
CCOC(=O)C(C)(C)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020235373	0	46	-1.0	-44.10	390.44	5.08	-39.02
CCOC(=O)C(C)(C)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020235373	1	46	-1.0	-44.10	390.37	5.06	-39.04
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020235373	1	45	-2.0	-94.30	388.32	4.03	-90.27
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020235373	1	45	-2.0	-94.31	388.24	4.02	-90.29
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OCC(F)F)=C1	REAL300020235374	0	46	-1.0	-48.53	381.14	1.76	-46.77
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OCC(F)F)=C1	REAL300020235374	1	46	-1.0	-48.58	381.20	1.77	-46.81
NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OCC(F)F)=C1	REAL300020235375	0	43	-1.0	-56.97	365.72	0.84	-56.13
NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OCC(F)F)=C1	REAL300020235375	1	43	-1.0	-56.99	365.77	0.85	-56.14
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCC(F)F)=C1	REAL300020235376	0	43	-1.0	-48.62	367.90	0.89	-47.73
NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCC(F)F)=C1	REAL300020235376	1	43	-1.0	-48.62	367.97	0.90	-47.72
CC(OC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020235377	0	45	-1.0	-44.22	369.59	5.72	-38.50
CC(OC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020235377	1	45	-1.0	-44.24	369.64	5.73	-38.51
CC(OC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020235378	0	42	-1.0	-54.94	355.84	4.77	-50.17
CC(OC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020235378	1	42	-1.0	-54.94	355.90	4.80	-50.14
CC(OC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020235379	0	42	-1.0	-44.15	356.66	4.86	-39.29
CC(OC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020235379	1	42	-1.0	-44.15	356.73	4.88	-39.27
CC(OC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020235380	0	48	-1.0	-44.43	379.35	5.89	-38.54
CC(OC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020235380	1	48	-1.0	-44.49	379.41	5.89	-38.60
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235381	0	43	-1.0	-65.41	369.81	7.12	-58.29
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235381	1	43	-1.0	-65.42	369.75	7.09	-58.33
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235382	0	43	-1.0	-50.65	349.75	6.64	-44.01
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235382	1	43	-1.0	-50.66	349.80	6.66	-44.00
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235383	0	40	-1.0	-60.66	334.75	5.67	-54.99
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235383	1	40	-1.0	-60.65	334.81	5.69	-54.96
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020235384	0	43	-1.0	-51.77	378.94	5.70	-46.07
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020235384	1	43	-1.0	-51.78	379.00	5.72	-46.06
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235385	0	40	-1.0	-51.43	336.09	5.72	-45.71
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235385	1	40	-1.0	-51.45	336.16	5.74	-45.71
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235386	0	46	-1.0	-56.29	359.74	7.42	-48.87
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235386	1	46	-1.0	-56.32	359.80	7.43	-48.89
O=C(NC1=CC(Cl)=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235387	0	35	-1.0	-41.80	322.07	5.41	-36.39
O=C(NC1=CC(Cl)=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235387	1	35	-1.0	-41.80	322.13	5.43	-36.37
O=C(NC1=CC(Cl)=CC(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235388	0	32	-1.0	-49.78	306.79	4.50	-45.28
O=C(NC1=CC(Cl)=CC(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235388	1	32	-1.0	-49.80	306.85	4.51	-45.29
O=C(NC1=CC(Cl)=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235389	0	32	-1.0	-41.67	307.92	4.58	-37.09
O=C(NC1=CC(Cl)=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235389	1	32	-1.0	-41.72	308.00	4.59	-37.13
O=C(NC1=CC(Cl)=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235390	0	38	-1.0	-37.12	334.54	5.56	-31.56
O=C(NC1=CC(Cl)=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235390	1	38	-1.0	-37.15	334.55	5.57	-31.58
O=C(NC1=CC=C2CN(CC(F)(F)F)CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235391	0	47	-1.0	-45.93	381.31	4.30	-41.63
O=C(NC1=CC=C2CN(CC(F)(F)F)CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235391	1	47	-1.0	-45.95	381.37	4.31	-41.64
O=C(NC1=CC=C2CN(CC(F)(F)F)CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235392	0	44	-1.0	-53.96	364.86	3.37	-50.59
O=C(NC1=CC=C2CN(CC(F)(F)F)CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235392	1	44	-1.0	-53.97	364.91	3.37	-50.60
O=C(NC1=CC=C2CN(CC(F)(F)F)CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235393	0	44	-1.0	-45.05	366.25	3.41	-41.64
O=C(NC1=CC=C2CN(CC(F)(F)F)CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235393	1	44	-1.0	-45.02	366.32	3.43	-41.59
N#CC1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020235394	0	36	-1.0	-56.11	328.60	5.27	-50.84
N#CC1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020235394	1	36	-1.0	-56.07	328.55	5.25	-50.82
N#CC1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020235395	0	36	-1.0	-45.08	310.70	4.81	-40.27
N#CC1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020235395	1	36	-1.0	-45.13	310.76	4.82	-40.31
N#CC1=CC=C(F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020235396	0	33	-1.0	-55.94	295.27	3.88	-52.06
N#CC1=CC=C(F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020235396	1	33	-1.0	-55.94	295.33	3.90	-52.04
CSCC[C@H](NC(=O)NC1=CC(C#N)=CC=C1F)C1=N[N-]N=N1	REAL300020235397	0	36	-1.0	-49.10	337.98	3.84	-45.26
CSCC[C@H](NC(=O)NC1=CC(C#N)=CC=C1F)C1=NN=N[N-]1	REAL300020235397	1	36	-1.0	-49.10	338.04	3.85	-45.25
N#CC1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020235398	0	33	-1.0	-45.21	296.62	3.93	-41.28
N#CC1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020235398	1	33	-1.0	-45.24	296.69	3.95	-41.29
N#CC1=CC=C(F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020235399	0	39	-1.0	-48.84	318.52	5.67	-43.17
N#CC1=CC=C(F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020235399	1	39	-1.0	-48.87	318.58	5.68	-43.19
CC(C)C1=NOC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020235400	0	38	-2.0	-100.13	335.68	1.16	-98.97
CC(C)C1=NOC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020235400	1	38	-2.0	-100.10	335.62	1.14	-98.96
CC(C)C1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235401	0	38	-2.0	-91.66	318.64	1.26	-90.40
CC(C)C1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235401	1	38	-2.0	-91.59	318.70	1.28	-90.31
CC(C)C1=NOC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235401	1	39	-1.0	-44.22	319.66	2.56	-41.66
CC(C)C1=NOC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235401	1	39	-1.0	-44.25	319.72	2.58	-41.67
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)C)=NO1)C1=N[N-]N=N1	REAL300020235402	0	38	-2.0	-102.83	344.59	-0.19	-103.02
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)C)=NO1)C1=NN=N[N-]1	REAL300020235402	1	38	-2.0	-102.84	344.65	-0.18	-103.02
CSCC[C@H](NC(=O)NC1=NC(C(C)C)=NO1)C1=N[N-]N=N1	REAL300020235402	1	39	-1.0	-46.52	347.84	1.62	-44.90
CSCC[C@H](NC(=O)NC1=NC(C(C)C)=NO1)C1=NN=N[N-]1	REAL300020235402	1	39	-1.0	-46.52	347.90	1.63	-44.89
CC(C)C1=NOC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020235403	0	41	-2.0	-97.65	331.88	1.68	-95.97
CC(C)C1=NOC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020235403	1	41	-2.0	-97.64	331.94	1.70	-95.94
CC(C)C1=NOC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020235403	1	42	-1.0	-51.50	327.90	3.11	-48.39
CC(C)C1=NOC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020235403	1	42	-1.0	-51.49	327.95	3.11	-48.38
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)S1	REAL300020235404	0	41	-1.0	-47.32	366.93	5.36	-41.96
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)S1	REAL300020235404	1	41	-1.0	-47.34	366.87	5.33	-42.01
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)S1	REAL300020235405	0	41	-1.0	-49.08	347.65	4.86	-44.22
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)S1	REAL300020235405	1	41	-1.0	-49.04	347.71	4.87	-44.17
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(C)S1	REAL300020235406	0	38	-1.0	-62.43	332.33	3.95	-58.48
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(C)S1	REAL300020235406	1	38	-1.0	-62.48	332.39	3.97	-58.51
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C)S1	REAL300020235407	0	41	-1.0	-53.92	376.96	3.88	-50.04
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C)S1	REAL300020235407	1	41	-1.0	-54.00	377.02	3.90	-50.10
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020235408	0	38	-1.0	-50.50	333.51	4.00	-46.50
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020235408	1	38	-1.0	-50.45	333.59	4.01	-46.44
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)S1	REAL300020235409	0	44	-1.0	-57.86	355.71	5.73	-52.13
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)S1	REAL300020235409	1	44	-1.0	-57.85	355.76	5.74	-52.11
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1N1C(=O)CNC1=O	REAL300020235410	0	47	-1.0	-52.25	380.71	3.52	-48.73
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1N1C(=O)CNC1=O	REAL300020235410	1	47	-1.0	-52.32	380.76	3.54	-48.78
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1N1C(=O)CNC1=O	REAL300020235411	0	44	-1.0	-62.89	365.38	2.63	-60.26
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1N1C(=O)CNC1=O	REAL300020235411	1	44	-1.0	-62.92	365.44	2.65	-60.27
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1N1C(=O)CNC1=O	REAL300020235412	0	44	-1.0	-52.14	366.73	2.79	-49.35
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1N1C(=O)CNC1=O	REAL300020235412	1	44	-1.0	-52.14	366.81	2.81	-49.33
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1N1C(=O)CNC1=O	REAL300020235413	0	50	-1.0	-61.03	389.01	4.51	-56.52
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1N1C(=O)CNC1=O	REAL300020235413	1	50	-1.0	-61.05	389.07	4.50	-56.55
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1N1C(=O)CNC1=O	REAL300020235414	0	47	-1.0	-52.61	384.52	3.44	-49.17
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1N1C(=O)CNC1=O	REAL300020235414	1	47	-1.0	-52.62	384.58	3.45	-49.17
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1N1C(=O)CNC1=O	REAL300020235415	0	44	-1.0	-67.16	369.23	2.42	-64.74
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1N1C(=O)CNC1=O	REAL300020235415	1	44	-1.0	-67.18	369.29	2.44	-64.74
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1C(=O)CNC1=O	REAL300020235416	0	44	-1.0	-57.88	370.65	2.48	-55.40
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1C(=O)CNC1=O	REAL300020235416	1	44	-1.0	-57.85	370.73	2.49	-55.36
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1N1C(=O)CNC1=O	REAL300020235417	0	50	-1.0	-54.62	399.00	3.53	-51.09
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1N1C(=O)CNC1=O	REAL300020235417	1	50	-1.0	-54.65	399.05	3.56	-51.09
CC(=O)N1CCN(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2C)C1=O	REAL300020235418	0	50	-1.0	-54.89	403.43	5.88	-49.01
CC(=O)N1CCN(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2C)C1=O	REAL300020235418	1	50	-1.0	-54.87	403.49	5.90	-48.97
CC(=O)N1CCN(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C)C1=O	REAL300020235419	0	50	-1.0	-49.29	404.68	5.95	-43.34
CC(=O)N1CCN(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C)C1=O	REAL300020235419	1	50	-1.0	-49.28	404.75	5.97	-43.31
CS(C)(=O)=NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020235420	0	45	-1.0	-66.91	383.38	3.18	-63.73
CS(C)(=O)=NC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020235420	1	45	-1.0	-66.91	383.32	3.15	-63.76
CS(C)(=O)=NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020235421	0	45	-1.0	-60.78	363.36	2.64	-58.14
CS(C)(=O)=NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020235421	1	45	-1.0	-60.77	363.42	2.65	-58.12
CS(C)(=O)=NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020235422	0	42	-1.0	-72.89	349.34	1.68	-71.21
CS(C)(=O)=NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020235422	1	42	-1.0	-72.84	349.40	1.70	-71.14
CSCC[C@H](NC(=O)NC1=CC=CC(N=S(C)(C)=O)=C1)C1=N[N-]N=N1	REAL300020235423	0	45	-1.0	-63.16	392.58	1.69	-61.47
CSCC[C@H](NC(=O)NC1=CC=CC(N=S(C)(C)=O)=C1)C1=NN=N[N-]1	REAL300020235423	1	45	-1.0	-63.18	392.63	1.71	-61.47
CS(C)(=O)=NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020235424	0	42	-1.0	-61.02	350.70	1.75	-59.27
CS(C)(=O)=NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020235424	1	42	-1.0	-61.03	350.77	1.76	-59.27
CS(C)(=O)=NC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020235425	0	48	-1.0	-60.48	379.03	2.79	-57.69
CS(C)(=O)=NC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020235425	1	48	-1.0	-60.48	379.09	2.83	-57.65
O=C(NC1=NNN=C1C(=O)N1CCCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235426	0	45	-1.0	-51.73	379.29	2.69	-49.04
O=C(NC1=NNN=C1C(=O)N1CCCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235426	1	45	-1.0	-51.70	379.35	2.72	-48.98
O=C(NC1=NNN=C1C(=O)N1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235427	0	45	-1.0	-47.34	360.07	2.22	-45.12
O=C(NC1=NNN=C1C(=O)N1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235427	1	45	-1.0	-47.38	360.12	2.23	-45.15
O=C(NC1=NNN=C1C(=O)N1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020235428	0	42	-1.0	-56.32	343.92	1.36	-54.96
O=C(NC1=NNN=C1C(=O)N1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020235428	1	42	-1.0	-56.30	343.98	1.38	-54.92
CSCC[C@H](NC(=O)NC1=NNN=C1C(=O)N1CCCC1)C1=N[N-]N=N1	REAL300020235429	0	45	-1.0	-50.17	388.25	1.28	-48.89
CSCC[C@H](NC(=O)NC1=NNN=C1C(=O)N1CCCC1)C1=NN=N[N-]1	REAL300020235429	1	45	-1.0	-50.16	388.31	1.29	-48.87
O=C(NC1=NNN=C1C(=O)N1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235430	0	42	-1.0	-46.26	346.11	1.37	-44.89
O=C(NC1=NNN=C1C(=O)N1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235430	1	42	-1.0	-46.33	346.19	1.39	-44.94
O=C(NC1=NNN=C1C(=O)N1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235431	0	48	-1.0	-52.82	368.56	3.10	-49.72
O=C(NC1=NNN=C1C(=O)N1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235431	1	48	-1.0	-52.80	368.61	3.11	-49.69
COC1=NC=CC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C12	REAL300020235432	0	44	-1.0	-42.92	372.32	3.96	-38.96
COC1=NC=CC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C12	REAL300020235432	1	44	-1.0	-42.90	372.26	3.94	-38.96
COC1=NC=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C12	REAL300020235433	0	44	-1.0	-44.14	352.16	3.46	-40.68
COC1=NC=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C12	REAL300020235433	1	44	-1.0	-44.06	352.10	3.44	-40.62
COC1=NC=CC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C12	REAL300020235434	0	41	-1.0	-53.34	338.33	2.57	-50.77
COC1=NC=CC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C12	REAL300020235434	1	41	-1.0	-53.38	338.28	2.55	-50.83
COC1=NC=CC2=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=CC=C12	REAL300020235435	0	44	-1.0	-47.37	381.04	2.51	-44.86
COC1=NC=CC2=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=CC=C12	REAL300020235435	1	44	-1.0	-47.39	380.99	2.49	-44.90
COC1=NC=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020235436	0	41	-1.0	-44.27	338.88	2.59	-41.68
COC1=NC=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300020235436	1	41	-1.0	-44.22	338.81	2.57	-41.65
COC1=NC=CC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020235437	0	47	-1.0	-49.76	361.75	4.35	-45.41
COC1=NC=CC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020235437	1	47	-1.0	-49.82	361.69	4.34	-45.48
N#CC1=C(Cl)N=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020235438	0	31	-2.0	-78.54	323.93	3.15	-75.39
N#CC1=C(Cl)N=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020235438	1	31	-2.0	-78.56	323.88	3.13	-75.43
N#CC1=C(Cl)N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020235438	1	32	-1.0	-45.51	327.19	4.34	-41.17
N#CC1=C(Cl)N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020235438	1	32	-1.0	-45.50	327.14	4.32	-41.18
N#CC1=C(Cl)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020235439	0	32	-1.0	-47.19	307.99	3.86	-43.33
N#CC1=C(Cl)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020235439	1	32	-1.0	-47.20	307.93	3.85	-43.35
N#CC1=C(Cl)N=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020235439	1	31	-2.0	-80.69	306.94	3.02	-77.67
N#CC1=C(Cl)N=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020235439	1	31	-2.0	-80.65	306.88	3.00	-77.65
N#CC1=C(Cl)N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020235440	0	29	-1.0	-56.58	292.54	2.95	-53.63
N#CC1=C(Cl)N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020235440	1	29	-1.0	-56.52	292.48	2.95	-53.57
N#CC1=C(Cl)N=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020235440	1	28	-2.0	-100.96	291.09	1.88	-99.08
N#CC1=C(Cl)N=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020235440	1	28	-2.0	-100.96	291.15	1.91	-99.05
CSCC[C@H](NC(=O)NC1=NC(Cl)=C(C#N)S1)C1=NN=N[N-]1	REAL300020235441	0	32	-1.0	-49.51	336.17	2.92	-46.59
CSCC[C@H](NC(=O)NC1=NC(Cl)=C(C#N)S1)C1=N[N-]N=N1	REAL300020235441	1	32	-1.0	-49.56	336.12	2.90	-46.66
CSCC[C@H](NC(=O)[N-]C1=NC(Cl)=C(C#N)S1)C1=N[N-]N=N1	REAL300020235441	1	31	-2.0	-91.53	332.86	1.71	-89.82
CSCC[C@H](NC(=O)[N-]C1=NC(Cl)=C(C#N)S1)C1=NN=N[N-]1	REAL300020235441	1	31	-2.0	-91.56	332.92	1.73	-89.83
N#CC1=C(Cl)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020235442	0	29	-1.0	-47.76	294.02	3.03	-44.73
N#CC1=C(Cl)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020235442	1	29	-1.0	-47.75	293.95	3.01	-44.74
N#CC1=C(Cl)N=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020235442	1	28	-2.0	-81.92	291.90	1.96	-79.96
N#CC1=C(Cl)N=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020235442	1	28	-2.0	-81.88	291.83	1.96	-79.92
N#CC1=C(Cl)N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020235443	0	35	-1.0	-51.84	316.24	4.72	-47.12
N#CC1=C(Cl)N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020235443	1	35	-1.0	-51.84	316.19	4.72	-47.12
N#CC1=C(Cl)N=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020235443	1	34	-2.0	-87.23	320.21	3.61	-83.62
N#CC1=C(Cl)N=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020235443	1	34	-2.0	-87.21	320.15	3.59	-83.62
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020235444	0	38	-1.0	-41.93	338.67	6.10	-35.83
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020235444	1	38	-1.0	-41.93	338.73	6.11	-35.82
CC1=CC(Cl)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020235445	0	35	-1.0	-50.70	322.04	5.19	-45.51
CC1=CC(Cl)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020235445	1	35	-1.0	-50.72	322.10	5.21	-45.51
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020235446	0	35	-1.0	-41.80	324.31	5.25	-36.55
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020235446	1	35	-1.0	-41.81	324.39	5.27	-36.54
CN1C(=O)OC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C(F)C=C21	REAL300020235447	0	41	-1.0	-49.12	362.93	4.90	-44.22
CN1C(=O)OC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C(F)C=C21	REAL300020235447	1	41	-1.0	-49.08	362.88	4.87	-44.21
CN1C(=O)OC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C(F)C=C21	REAL300020235448	0	41	-1.0	-46.96	342.48	4.38	-42.58
CN1C(=O)OC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C(F)C=C21	REAL300020235448	1	41	-1.0	-46.96	342.54	4.40	-42.56
CN1C(=O)OC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C(F)C=C21	REAL300020235449	0	38	-1.0	-56.17	328.42	3.47	-52.70
CN1C(=O)OC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C(F)C=C21	REAL300020235449	1	38	-1.0	-56.14	328.48	3.49	-52.65
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1F)N(C)C(=O)O2)C1=N[N-]N=N1	REAL300020235450	0	41	-1.0	-51.58	372.10	3.44	-48.14
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1F)N(C)C(=O)O2)C1=NN=N[N-]1	REAL300020235450	1	41	-1.0	-51.61	372.16	3.45	-48.16
CN1C(=O)OC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C(F)C=C21	REAL300020235451	0	38	-1.0	-47.82	329.11	3.50	-44.32
CN1C(=O)OC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C(F)C=C21	REAL300020235451	1	38	-1.0	-47.83	329.18	3.52	-44.31
CN1C(=O)OC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C(F)C=C21	REAL300020235452	0	44	-1.0	-53.50	351.59	5.36	-48.14
CN1C(=O)OC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C(F)C=C21	REAL300020235452	1	44	-1.0	-53.47	351.64	5.36	-48.11
C=COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020235453	0	40	-1.0	-50.13	344.89	5.09	-45.04
C=COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020235453	1	40	-1.0	-50.17	344.83	5.06	-45.11
C=COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020235454	0	40	-1.0	-45.16	324.60	4.61	-40.55
C=COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020235454	1	40	-1.0	-45.18	324.65	4.62	-40.56
C=COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020235455	0	37	-1.0	-52.99	309.96	3.69	-49.30
C=COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020235455	1	37	-1.0	-52.98	310.02	3.70	-49.28
C=COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020235456	0	40	-1.0	-47.55	353.64	3.65	-43.90
C=COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020235456	1	40	-1.0	-47.56	353.70	3.67	-43.89
C=COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020235457	0	37	-1.0	-45.09	311.80	3.72	-41.37
C=COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020235457	1	37	-1.0	-45.09	311.87	3.72	-41.37
C=COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020235458	0	43	-1.0	-49.81	333.94	5.49	-44.32
C=COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020235458	1	43	-1.0	-49.81	333.99	5.49	-44.32
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1Cl	REAL300020235459	0	43	-1.0	-45.54	377.13	4.04	-41.50
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1Cl	REAL300020235459	1	43	-1.0	-45.52	377.07	4.01	-41.51
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1Cl	REAL300020235460	0	43	-1.0	-44.75	358.35	3.49	-41.26
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1Cl	REAL300020235460	1	43	-1.0	-44.75	358.41	3.50	-41.25
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(OC)=C1Cl	REAL300020235461	0	40	-1.0	-53.95	342.89	2.57	-51.38
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(OC)=C1Cl	REAL300020235461	1	40	-1.0	-53.96	342.95	2.59	-51.37
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1Cl	REAL300020235462	0	43	-1.0	-46.60	386.58	2.53	-44.07
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1Cl	REAL300020235462	1	43	-1.0	-46.65	386.64	2.55	-44.10
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1Cl	REAL300020235463	0	40	-1.0	-44.92	344.41	2.63	-42.29
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1Cl	REAL300020235463	1	40	-1.0	-44.92	344.49	2.64	-42.28
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1Cl	REAL300020235464	0	46	-1.0	-50.47	366.28	4.49	-45.98
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1Cl	REAL300020235464	1	46	-1.0	-50.45	366.33	4.50	-45.95
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1SC	REAL300020235465	0	43	-1.0	-54.22	372.08	5.13	-49.09
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1SC	REAL300020235465	1	43	-1.0	-54.27	372.02	5.10	-49.17
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1SC	REAL300020235466	0	43	-1.0	-44.88	353.08	4.61	-40.27
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1SC	REAL300020235466	1	43	-1.0	-44.90	353.14	4.62	-40.28
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1SC	REAL300020235467	0	40	-1.0	-54.82	337.38	3.74	-51.08
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1SC	REAL300020235467	1	40	-1.0	-54.82	337.43	3.75	-51.07
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1SC	REAL300020235468	0	43	-1.0	-47.95	380.92	3.70	-44.25
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1SC	REAL300020235468	1	43	-1.0	-47.93	380.98	3.71	-44.22
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1SC	REAL300020235469	0	40	-1.0	-45.01	339.03	3.77	-41.24
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1SC	REAL300020235469	1	40	-1.0	-45.01	339.11	3.77	-41.24
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1SC	REAL300020235470	0	46	-1.0	-41.88	365.42	4.80	-37.08
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1SC	REAL300020235470	1	46	-1.0	-41.90	365.45	4.81	-37.09
C=CCOC1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235471	0	40	-1.0	-53.81	352.56	4.93	-48.88
C=CCOC1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235471	1	40	-1.0	-53.82	352.62	4.95	-48.87
C=CCOC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235472	0	40	-1.0	-44.01	354.72	4.97	-39.04
C=CCOC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235472	1	40	-1.0	-44.01	354.80	4.98	-39.03
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1OC(F)F	REAL300020235473	0	39	-1.0	-42.74	340.48	4.48	-38.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1OC(F)F	REAL300020235473	1	39	-1.0	-42.76	340.42	4.46	-38.30
O=C(NC1=CC=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235474	0	39	-1.0	-44.86	321.69	4.00	-40.86
O=C(NC1=CC=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235474	1	39	-1.0	-44.85	321.75	4.02	-40.83
O=C(NC1=CC=CC=C1OC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020235475	0	36	-1.0	-54.99	307.06	3.06	-51.93
O=C(NC1=CC=CC=C1OC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020235475	1	36	-1.0	-54.97	307.11	3.09	-51.88
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020235476	0	39	-1.0	-47.98	349.78	3.03	-44.95
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020235476	1	39	-1.0	-48.00	349.84	3.05	-44.95
O=C(NC1=CC=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020235477	0	36	-1.0	-44.42	307.62	3.14	-41.28
O=C(NC1=CC=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020235477	1	36	-1.0	-44.44	307.69	3.14	-41.30
O=C(NC1=CC=CC=C1OC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020235478	0	42	-1.0	-42.41	333.93	4.22	-38.19
O=C(NC1=CC=CC=C1OC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020235478	1	42	-1.0	-42.41	333.98	4.22	-38.19
O=C(NC1=CC=C(SC(F)(F)F)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235479	0	38	-1.0	-41.10	359.55	4.91	-36.19
O=C(NC1=CC=C(SC(F)(F)F)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235479	1	38	-1.0	-41.12	359.49	4.89	-36.23
O=C(NC1=CC=C(SC(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235480	0	38	-1.0	-47.29	340.43	4.38	-42.91
O=C(NC1=CC=C(SC(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235480	1	38	-1.0	-47.30	340.38	4.36	-42.94
O=C(NC1=CC=C(SC(F)(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235481	0	35	-1.0	-49.69	325.06	3.53	-46.16
O=C(NC1=CC=C(SC(F)(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235481	1	35	-1.0	-49.64	325.00	3.51	-46.13
CSCC[C@H](NC(=O)NC1=CC=C(SC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300020235482	0	38	-1.0	-44.03	368.58	3.49	-40.54
CSCC[C@H](NC(=O)NC1=CC=C(SC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300020235482	1	38	-1.0	-44.03	368.53	3.47	-40.56
O=C(NC1=CC=C(SC(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235483	0	35	-1.0	-42.10	326.22	3.60	-38.50
O=C(NC1=CC=C(SC(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235483	1	35	-1.0	-42.15	326.15	3.60	-38.55
O=C(NC1=CC=C(SC(F)(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235484	0	41	-1.0	-38.92	354.82	4.58	-34.34
O=C(NC1=CC=C(SC(F)(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235484	1	41	-1.0	-38.93	354.77	4.56	-34.37
CCC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020235485	0	36	-2.0	-86.68	327.25	3.13	-83.55
CCC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020235485	1	36	-2.0	-86.66	327.19	3.11	-83.55
CCC1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020235485	1	37	-1.0	-40.16	330.50	4.33	-35.83
CCC1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020235485	1	37	-1.0	-40.18	330.45	4.31	-35.87
CCC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235486	0	37	-1.0	-41.63	311.26	3.86	-37.77
CCC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235486	1	37	-1.0	-41.67	311.31	3.87	-37.80
CCC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235486	1	36	-2.0	-88.75	310.21	3.01	-85.74
CCC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235486	1	36	-2.0	-88.69	310.27	3.02	-85.67
CCC1=CSC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020235487	0	37	-1.0	-43.23	339.43	2.90	-40.33
CCC1=CSC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020235487	1	37	-1.0	-43.22	339.48	2.92	-40.30
CCC1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020235487	1	36	-2.0	-99.64	336.18	1.70	-97.94
CCC1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020235488	0	40	-1.0	-45.28	319.51	4.71	-40.57
CCC1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020235488	1	40	-1.0	-45.31	319.56	4.72	-40.59
CCC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020235488	1	39	-2.0	-105.16	318.82	3.99	-101.17
CCC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020235488	1	39	-2.0	-105.27	318.86	4.01	-101.26
COC(=O)C(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020235489	0	47	-1.0	-56.49	397.17	6.72	-49.77
COC(=O)C(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020235489	1	47	-1.0	-56.41	397.11	6.69	-49.72
COC(=O)C(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020235490	0	47	-1.0	-48.35	376.86	6.27	-42.08
COC(=O)C(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020235490	1	47	-1.0	-48.39	376.91	6.28	-42.11
COC(=O)C(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020235491	0	44	-1.0	-56.88	362.53	5.31	-51.57
COC(=O)C(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020235491	1	44	-1.0	-56.82	362.59	5.32	-51.50
COC(=O)C(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020235492	0	47	-1.0	-50.86	406.28	5.25	-45.61
COC(=O)C(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020235492	1	47	-1.0	-50.86	406.34	5.27	-45.59
COC(=O)C(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020235493	0	44	-1.0	-47.14	363.88	5.38	-41.76
COC(=O)C(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020235493	1	44	-1.0	-47.18	363.95	5.38	-41.80
COC(=O)C(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020235494	0	50	-1.0	-59.26	386.72	7.21	-52.05
COC(=O)C(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020235494	1	50	-1.0	-59.29	386.78	7.22	-52.07
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(Cl)C(OC)=C1	REAL300020235495	0	43	-1.0	-43.66	374.97	4.07	-39.59
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(Cl)C(OC)=C1	REAL300020235495	1	43	-1.0	-43.63	374.92	4.05	-39.58
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(Cl)C(OC)=C1	REAL300020235496	0	43	-1.0	-45.58	355.86	3.59	-41.99
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(Cl)C(OC)=C1	REAL300020235496	1	43	-1.0	-45.61	355.92	3.61	-42.00
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(Cl)C(OC)=C1	REAL300020235497	0	40	-1.0	-56.22	341.68	2.67	-53.55
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(Cl)C(OC)=C1	REAL300020235497	1	40	-1.0	-56.23	341.74	2.70	-53.53
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(Cl)C(OC)=C1	REAL300020235498	0	43	-1.0	-49.27	384.34	2.60	-46.67
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(Cl)C(OC)=C1	REAL300020235498	1	43	-1.0	-49.28	384.40	2.62	-46.66
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Cl)C(OC)=C1	REAL300020235499	0	40	-1.0	-45.37	343.08	2.73	-42.64
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Cl)C(OC)=C1	REAL300020235499	1	40	-1.0	-45.38	343.15	2.74	-42.64
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(Cl)C(OC)=C1	REAL300020235500	0	46	-1.0	-51.97	364.64	4.56	-47.41
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(Cl)C(OC)=C1	REAL300020235500	1	46	-1.0	-52.02	364.69	4.56	-47.46
CC(C)C(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020235501	0	40	-1.0	-41.08	337.07	4.64	-36.44
CC(C)C(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020235501	1	40	-1.0	-41.08	337.01	4.62	-36.46
CC(C)C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020235502	0	40	-1.0	-44.06	320.31	3.98	-40.08
CC(C)C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020235502	1	40	-1.0	-44.05	320.36	4.00	-40.05
CC(C)C(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020235503	0	37	-1.0	-53.85	302.86	3.13	-50.72
CC(C)C(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020235503	1	37	-1.0	-53.88	302.91	3.15	-50.73
CSCC[C@H](NC(=O)NC(C(C)C)C(F)(F)F)C1=N[N-]N=N1	REAL300020235504	0	40	-1.0	-47.43	346.45	3.09	-44.34
CSCC[C@H](NC(=O)NC(C(C)C)C(F)(F)F)C1=NN=N[N-]1	REAL300020235504	1	40	-1.0	-47.43	346.51	3.11	-44.32
CC(C)C(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020235505	0	37	-1.0	-42.77	306.65	3.13	-39.64
CC(C)C(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020235505	1	37	-1.0	-42.79	306.73	3.13	-39.66
CC(C)C(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020235506	0	43	-1.0	-47.63	326.71	5.13	-42.50
CC(C)C(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020235506	1	43	-1.0	-47.62	326.76	5.16	-42.46
O=C(NC1=CC=C(CSC2=CC=C(F)C=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235507	0	46	-1.0	-53.44	396.75	8.34	-45.10
O=C(NC1=CC=C(CSC2=CC=C(F)C=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235507	1	46	-1.0	-53.46	396.81	8.35	-45.11
O=C(NC1=CC=C(CSC2=CC=C(F)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235508	0	46	-1.0	-45.29	398.12	8.39	-36.90
O=C(NC1=CC=C(CSC2=CC=C(F)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235508	1	46	-1.0	-45.30	398.19	8.40	-36.90
CC(C)(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020235509	0	49	-1.0	-57.89	391.00	1.31	-56.58
CC(C)(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020235509	1	49	-1.0	-57.91	391.06	1.32	-56.59
CC(C)(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020235510	0	49	-1.0	-48.53	393.15	1.46	-47.07
CC(C)(C)NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020235510	1	49	-1.0	-48.59	393.22	1.46	-47.13
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC(F)=C1F	REAL300020235511	0	38	-1.0	-50.34	333.25	5.78	-44.56
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC(F)=C1F	REAL300020235511	1	38	-1.0	-50.35	333.20	5.76	-44.59
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC(F)=C1F	REAL300020235512	0	38	-1.0	-41.62	312.93	5.28	-36.34
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC(F)=C1F	REAL300020235512	1	38	-1.0	-41.60	312.99	5.29	-36.31
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC(F)=C1F	REAL300020235513	0	35	-1.0	-49.57	298.86	4.38	-45.19
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC(F)=C1F	REAL300020235513	1	35	-1.0	-49.59	298.92	4.40	-45.19
CSCC[C@H](NC(=O)NC1=CC=C(F)C(F)=C1C)C1=N[N-]N=N1	REAL300020235514	0	38	-1.0	-43.35	342.41	4.35	-39.00
CSCC[C@H](NC(=O)NC1=CC=C(F)C(F)=C1C)C1=NN=N[N-]1	REAL300020235514	1	38	-1.0	-43.35	342.47	4.36	-38.99
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC(F)=C1F	REAL300020235515	0	35	-1.0	-41.40	300.26	4.44	-36.96
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC(F)=C1F	REAL300020235515	1	35	-1.0	-41.34	300.33	4.45	-36.89
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC(F)=C1F	REAL300020235516	0	41	-1.0	-45.83	321.52	6.09	-39.74
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC(F)=C1F	REAL300020235516	1	41	-1.0	-45.79	321.58	6.10	-39.69
COC1=CC(C(N)=O)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235517	0	43	-1.0	-46.23	366.00	1.03	-45.20
COC1=CC(C(N)=O)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235517	1	43	-1.0	-46.19	365.95	1.01	-45.18
COC1=CC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235518	0	43	-1.0	-45.93	346.27	0.51	-45.42
COC1=CC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235518	1	43	-1.0	-45.95	346.33	0.53	-45.42
COC1=CC(C(N)=O)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235519	0	40	-1.0	-53.89	330.85	-0.41	-54.30
COC1=CC(C(N)=O)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235519	1	40	-1.0	-53.86	330.91	-0.39	-54.25
COC1=CC(C(N)=O)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020235520	0	43	-1.0	-48.35	374.37	-0.45	-48.80
COC1=CC(C(N)=O)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020235520	1	43	-1.0	-48.33	374.43	-0.43	-48.76
COC1=CC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235521	0	40	-1.0	-45.79	333.03	-0.37	-46.16
COC1=CC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235521	1	40	-1.0	-45.77	333.10	-0.36	-46.13
COC1=CC(C(N)=O)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235522	0	46	-1.0	-50.79	354.67	1.50	-49.29
COC1=CC(C(N)=O)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235522	1	46	-1.0	-50.80	354.72	1.50	-49.30
CN1CC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C2C1=O	REAL300020235523	0	43	-1.0	-57.27	365.98	4.66	-52.61
CN1CC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C2C1=O	REAL300020235523	1	43	-1.0	-57.25	365.92	4.63	-52.62
CN1CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C2C1=O	REAL300020235524	0	43	-1.0	-47.71	346.90	4.17	-43.54
CN1CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C2C1=O	REAL300020235524	1	43	-1.0	-47.75	346.96	4.18	-43.57
CN1CC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C2C1=O	REAL300020235525	0	40	-1.0	-55.44	332.26	3.24	-52.20
CN1CC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C2C1=O	REAL300020235525	1	40	-1.0	-55.43	332.32	3.25	-52.18
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CN(C)C2=O)C1=N[N-]N=N1	REAL300020235526	0	43	-1.0	-50.03	376.06	3.22	-46.81
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CN(C)C2=O)C1=NN=N[N-]1	REAL300020235526	1	43	-1.0	-50.02	376.12	3.23	-46.79
CN1CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C2C1=O	REAL300020235527	0	40	-1.0	-47.71	333.88	3.32	-44.39
CN1CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C2C1=O	REAL300020235527	1	40	-1.0	-47.70	333.95	3.33	-44.37
CN1CC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2C1=O	REAL300020235528	0	46	-1.0	-41.27	362.34	4.33	-36.94
CN1CC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2C1=O	REAL300020235528	1	46	-1.0	-41.34	362.39	4.34	-37.00
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235529	0	41	-1.0	-49.20	351.32	1.14	-48.06
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235529	1	41	-1.0	-49.22	351.37	1.15	-48.07
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235529	1	40	-2.0	-94.07	350.27	0.29	-93.78
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235529	1	40	-2.0	-94.06	350.32	0.30	-93.76
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020235530	0	38	-1.0	-65.68	337.91	0.62	-65.06
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020235530	1	38	-1.0	-65.69	337.97	0.64	-65.05
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020235530	1	37	-2.0	-119.91	336.50	-0.44	-120.35
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020235530	1	37	-2.0	-119.93	336.56	-0.42	-120.35
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235531	0	38	-1.0	-48.34	337.30	0.28	-48.06
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235531	1	38	-1.0	-48.35	337.37	0.29	-48.06
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235531	1	37	-2.0	-94.82	335.19	-0.79	-95.61
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235531	1	37	-2.0	-94.85	335.26	-0.78	-95.63
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235532	0	44	-1.0	-58.67	361.59	2.40	-56.27
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235532	1	44	-1.0	-58.64	361.65	2.41	-56.23
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235532	1	43	-2.0	-103.24	365.56	1.27	-101.97
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235532	1	43	-2.0	-103.24	365.62	1.30	-101.94
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1S(=O)(=O)N(C)C	REAL300020235533	0	49	-1.0	-46.94	383.09	3.02	-43.92
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1S(=O)(=O)N(C)C	REAL300020235533	1	49	-1.0	-46.91	383.15	3.03	-43.88
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1S(=O)(=O)N(C)C	REAL300020235534	0	46	-1.0	-58.02	368.54	2.10	-55.92
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1S(=O)(=O)N(C)C	REAL300020235534	1	46	-1.0	-58.00	368.60	2.12	-55.88
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1S(=O)(=O)N(C)C	REAL300020235535	0	46	-1.0	-48.48	378.83	2.62	-45.86
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1S(=O)(=O)N(C)C	REAL300020235535	1	46	-1.0	-48.48	378.91	2.63	-45.85
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(F)=C1Br	REAL300020235536	0	38	-1.0	-44.99	329.23	5.52	-39.47
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(F)=C1Br	REAL300020235536	1	38	-1.0	-45.04	329.29	5.53	-39.51
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(F)=C1Br	REAL300020235537	0	35	-1.0	-53.27	313.93	4.60	-48.67
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(F)=C1Br	REAL300020235537	1	35	-1.0	-53.27	313.99	4.61	-48.66
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(F)=C1Br	REAL300020235538	0	35	-1.0	-45.08	315.32	4.65	-40.43
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(F)=C1Br	REAL300020235538	1	35	-1.0	-45.06	315.40	4.66	-40.40
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(F)=C1Br	REAL300020235539	0	41	-1.0	-37.85	341.67	5.66	-32.19
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(F)=C1Br	REAL300020235539	1	41	-1.0	-37.84	341.72	5.68	-32.16
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=NN1C	REAL300020235540	0	37	-1.0	-52.85	320.87	2.99	-49.86
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=NN1C	REAL300020235540	1	37	-1.0	-52.82	320.81	2.97	-49.85
CSCC[C@H](NC(=O)NC1=C(C)N(C)N=N1)C1=N[N-]N=N1	REAL300020235541	0	37	-1.0	-59.95	330.71	1.58	-58.37
CSCC[C@H](NC(=O)NC1=C(C)N(C)N=N1)C1=NN=N[N-]1	REAL300020235541	1	37	-1.0	-59.94	330.76	1.59	-58.35
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1C	REAL300020235542	0	40	-1.0	-64.40	310.10	3.37	-61.03
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1C	REAL300020235542	1	40	-1.0	-64.40	310.15	3.38	-61.02
CC1=CC(C#N)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020235543	0	39	-1.0	-45.20	345.57	5.81	-39.39
CC1=CC(C#N)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020235543	1	39	-1.0	-45.17	345.51	5.79	-39.38
CC1=CC(C#N)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020235544	0	39	-1.0	-47.47	326.44	5.32	-42.15
CC1=CC(C#N)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020235544	1	39	-1.0	-47.46	326.50	5.33	-42.13
CSCC[C@H](NC(=O)NC1=CC(C)=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020235545	0	39	-1.0	-52.93	354.57	4.38	-48.55
CSCC[C@H](NC(=O)NC1=CC(C)=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020235545	1	39	-1.0	-52.93	354.63	4.40	-48.53
CC1=CC(C#N)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020235546	0	42	-1.0	-40.60	338.72	5.48	-35.12
CC1=CC(C#N)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020235546	1	42	-1.0	-40.59	338.76	5.50	-35.09
O=C(NC1=NN2CCCCC2=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235547	0	41	-1.0	-48.68	344.32	6.82	-41.86
O=C(NC1=NN2CCCCC2=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235547	1	41	-1.0	-48.68	344.27	6.80	-41.88
O=C(NC1=NN2CCCCC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235548	0	41	-1.0	-50.94	325.09	6.32	-44.62
O=C(NC1=NN2CCCCC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235548	1	41	-1.0	-50.98	325.15	6.34	-44.64
O=C(NC1=NN2CCCCC2=N1)N1CCCC1C1=N[N-]N=N1	REAL300020235549	0	38	-1.0	-62.74	309.64	5.27	-57.47
O=C(NC1=NN2CCCCC2=N1)N1CCCC1C1=NN=N[N-]1	REAL300020235549	1	38	-1.0	-62.76	309.70	5.27	-57.49
CSCC[C@H](NC(=O)NC1=NN2CCCCC2=N1)C1=N[N-]N=N1	REAL300020235550	0	41	-1.0	-54.42	353.24	5.38	-49.04
CSCC[C@H](NC(=O)NC1=NN2CCCCC2=N1)C1=NN=N[N-]1	REAL300020235550	1	41	-1.0	-54.43	353.30	5.40	-49.03
O=C(NC1=NN2CCCCC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235551	0	38	-1.0	-51.16	311.12	5.32	-45.84
O=C(NC1=NN2CCCCC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235551	1	38	-1.0	-51.18	311.20	5.34	-45.84
O=C(NC1=NN2CCCCC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235552	0	44	-1.0	-59.09	333.33	7.05	-52.04
O=C(NC1=NN2CCCCC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235552	1	44	-1.0	-59.11	333.38	7.05	-52.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1CCNC2=O	REAL300020235553	0	43	-1.0	-47.67	358.80	3.45	-44.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1CCNC2=O	REAL300020235553	1	43	-1.0	-47.69	358.74	3.42	-44.27
O=C(NC1=C2CCNC(=O)C2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235554	0	43	-1.0	-46.70	337.70	2.64	-44.06
O=C(NC1=C2CCNC(=O)C2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235554	1	43	-1.0	-46.71	337.76	2.65	-44.06
O=C(NC1=C2CCNC(=O)C2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235555	0	40	-1.0	-55.35	325.29	2.07	-53.28
O=C(NC1=C2CCNC(=O)C2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235555	1	40	-1.0	-55.37	325.35	2.07	-53.30
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCNC2=O)C1=N[N-]N=N1	REAL300020235556	0	43	-1.0	-50.89	368.98	2.04	-48.85
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCNC2=O)C1=NN=N[N-]1	REAL300020235556	1	43	-1.0	-50.87	369.04	2.06	-48.81
O=C(NC1=C2CCNC(=O)C2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235557	0	40	-1.0	-47.46	326.80	2.12	-45.34
O=C(NC1=C2CCNC(=O)C2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235557	1	40	-1.0	-47.45	326.88	2.13	-45.32
O=C(NC1=C2CCNC(=O)C2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235558	0	46	-1.0	-39.12	347.88	3.08	-36.04
O=C(NC1=C2CCNC(=O)C2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235558	1	46	-1.0	-39.12	347.86	3.10	-36.02
O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235559	0	44	-1.0	-43.66	383.64	3.36	-40.30
O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235559	1	44	-1.0	-43.69	383.58	3.34	-40.35
O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235560	0	44	-1.0	-48.28	365.75	2.85	-45.43
O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235560	1	44	-1.0	-48.27	365.70	2.83	-45.44
O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235561	0	41	-1.0	-52.57	349.13	2.07	-50.50
O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235561	1	41	-1.0	-52.59	349.07	2.05	-50.54
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CN=C2)N=C1)C1=NN=N[N-]1	REAL300020235562	0	44	-1.0	-47.66	393.18	2.02	-45.64
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CN=C2)N=C1)C1=N[N-]N=N1	REAL300020235562	1	44	-1.0	-47.69	393.12	2.01	-45.68
O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235563	0	41	-1.0	-45.59	351.49	2.08	-43.51
O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235563	1	41	-1.0	-45.59	351.41	2.08	-43.51
O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235564	0	47	-1.0	-42.59	380.34	3.01	-39.58
O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235564	1	47	-1.0	-42.62	380.29	2.99	-39.63
CSC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020235565	0	39	-1.0	-52.84	358.38	6.27	-46.57
CSC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020235565	1	39	-1.0	-52.87	358.32	6.24	-46.63
CSC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020235566	0	39	-1.0	-43.03	339.39	5.73	-37.30
CSC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020235566	1	39	-1.0	-43.06	339.44	5.75	-37.31
CSC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020235567	0	36	-1.0	-51.16	324.01	4.84	-46.32
CSC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020235567	1	36	-1.0	-51.16	324.07	4.85	-46.31
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(SC)=C1)C1=N[N-]N=N1	REAL300020235568	0	39	-1.0	-45.96	367.22	4.83	-41.13
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(SC)=C1)C1=NN=N[N-]1	REAL300020235568	1	39	-1.0	-45.98	367.28	4.84	-41.14
CSC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020235569	0	36	-1.0	-42.93	325.38	4.89	-38.04
CSC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020235569	1	36	-1.0	-42.95	325.46	4.90	-38.05
CSC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020235570	0	42	-1.0	-38.29	351.71	5.92	-32.37
CSC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020235570	1	42	-1.0	-38.30	351.74	5.93	-32.37
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1C	REAL300020235571	0	46	-1.0	-45.24	380.53	4.26	-40.98
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1C	REAL300020235571	1	46	-1.0	-45.22	380.47	4.24	-40.98
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1C	REAL300020235572	0	46	-1.0	-44.00	360.29	3.75	-40.25
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1C	REAL300020235572	1	46	-1.0	-43.96	360.35	3.77	-40.19
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(OC)=C1C	REAL300020235573	0	43	-1.0	-54.97	346.29	2.79	-52.18
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(OC)=C1C	REAL300020235573	1	43	-1.0	-54.96	346.35	2.81	-52.15
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1C	REAL300020235574	0	46	-1.0	-47.00	389.99	2.75	-44.25
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1C	REAL300020235574	1	46	-1.0	-47.00	390.04	2.77	-44.23
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1C	REAL300020235575	0	43	-1.0	-44.74	347.82	2.85	-41.89
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1C	REAL300020235575	1	43	-1.0	-44.73	347.89	2.86	-41.87
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1C	REAL300020235576	0	49	-1.0	-41.95	376.20	3.90	-38.05
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1C	REAL300020235576	1	49	-1.0	-41.95	376.26	3.93	-38.02
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1S(C)(=O)=O	REAL300020235577	0	44	-1.0	-49.15	373.61	3.86	-45.29
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1S(C)(=O)=O	REAL300020235577	1	44	-1.0	-49.14	373.55	3.84	-45.30
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1S(C)(=O)=O	REAL300020235578	0	44	-1.0	-48.92	353.89	3.37	-45.55
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1S(C)(=O)=O	REAL300020235578	1	44	-1.0	-48.93	353.95	3.39	-45.54
CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1S(C)(=O)=O	REAL300020235579	0	41	-1.0	-60.11	337.95	2.50	-57.61
CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1S(C)(=O)=O	REAL300020235579	1	41	-1.0	-60.14	338.01	2.51	-57.63
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL300020235580	0	44	-1.0	-57.54	381.96	2.46	-55.08
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL300020235580	1	44	-1.0	-57.57	382.02	2.47	-55.10
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1S(C)(=O)=O	REAL300020235581	0	41	-1.0	-49.90	338.93	2.48	-47.42
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1S(C)(=O)=O	REAL300020235581	1	41	-1.0	-49.91	339.01	2.49	-47.42
CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1S(C)(=O)=O	REAL300020235582	0	47	-1.0	-54.10	357.91	4.29	-49.81
CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1S(C)(=O)=O	REAL300020235582	1	47	-1.0	-54.09	357.94	4.30	-49.79
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1S(C)(=O)=O	REAL300020235583	0	45	-1.0	-49.50	371.30	1.63	-47.87
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1S(C)(=O)=O	REAL300020235583	1	45	-1.0	-49.56	371.36	1.64	-47.92
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300020235584	0	42	-1.0	-71.87	355.76	0.75	-71.12
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300020235584	1	42	-1.0	-71.86	355.82	0.76	-71.10
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(C)(=O)=O	REAL300020235585	0	42	-1.0	-49.33	357.43	0.78	-48.55
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(C)(=O)=O	REAL300020235585	1	42	-1.0	-49.26	357.51	0.78	-48.48
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300020235586	0	48	-1.0	-52.85	383.75	1.82	-51.03
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300020235586	1	48	-1.0	-52.88	383.78	1.82	-51.06
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235587	0	46	-1.0	-47.60	386.52	4.31	-43.29
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235587	1	46	-1.0	-47.61	386.47	4.29	-43.32
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235588	0	46	-1.0	-45.76	367.14	3.82	-41.94
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235588	1	46	-1.0	-45.78	367.20	3.84	-41.94
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235589	0	43	-1.0	-61.52	351.98	2.87	-58.65
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235589	1	43	-1.0	-61.49	352.04	2.90	-58.59
CSCC[C@H](NC(=O)NC1=CC=CC(C2CCC(=O)N2)=C1)C1=N[N-]N=N1	REAL300020235590	0	46	-1.0	-51.42	395.66	2.83	-48.59
CSCC[C@H](NC(=O)NC1=CC=CC(C2CCC(=O)N2)=C1)C1=NN=N[N-]1	REAL300020235590	1	46	-1.0	-51.42	395.71	2.85	-48.57
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235591	0	43	-1.0	-48.97	353.20	2.95	-46.02
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235591	1	43	-1.0	-48.99	353.28	2.96	-46.03
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235592	0	49	-1.0	-43.91	379.87	3.94	-39.97
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235592	1	49	-1.0	-43.89	379.90	3.96	-39.93
CCS(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020235593	0	47	-1.0	-55.56	390.75	3.37	-52.19
CCS(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020235593	1	47	-1.0	-55.56	390.81	3.39	-52.17
CCS(=O)(=O)CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020235594	0	44	-1.0	-68.79	374.96	2.48	-66.31
CCS(=O)(=O)CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020235594	1	44	-1.0	-68.82	375.02	2.50	-66.32
CCS(=O)(=O)CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020235595	0	47	-1.0	-60.64	418.77	2.42	-58.22
CCS(=O)(=O)CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020235595	1	47	-1.0	-60.61	418.83	2.43	-58.18
CCS(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020235596	0	44	-1.0	-54.91	376.36	2.54	-52.37
CCS(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020235596	1	44	-1.0	-54.94	376.43	2.55	-52.39
CCS(=O)(=O)CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020235597	0	50	-1.0	-66.75	399.21	4.38	-62.37
CCS(=O)(=O)CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020235597	1	50	-1.0	-66.77	399.26	4.38	-62.39
CN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(F)(F)F	REAL300020235598	0	46	-1.0	-42.06	375.99	5.39	-36.67
CN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(F)(F)F	REAL300020235598	1	46	-1.0	-42.10	376.05	5.41	-36.69
CN(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020235599	0	43	-1.0	-50.06	360.67	4.47	-45.59
CN(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020235599	1	43	-1.0	-50.07	360.73	4.49	-45.58
CN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020235600	0	43	-1.0	-41.93	362.06	4.52	-37.41
CN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020235600	1	43	-1.0	-41.93	362.13	4.53	-37.40
CN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020235601	0	49	-1.0	-40.49	388.64	5.55	-34.94
CN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020235601	1	49	-1.0	-40.51	388.68	5.57	-34.94
CCOC(=O)CC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020235602	0	42	-2.0	-95.97	385.68	4.71	-91.26
CCOC(=O)CC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020235602	1	42	-2.0	-95.95	385.62	4.69	-91.26
CCOC(=O)CC1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020235602	1	43	-1.0	-49.53	388.93	5.92	-43.61
CCOC(=O)CC1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020235602	1	43	-1.0	-49.54	388.88	5.89	-43.65
CCOC(=O)CC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020235603	0	43	-1.0	-51.91	369.73	5.44	-46.47
CCOC(=O)CC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020235603	1	43	-1.0	-51.92	369.68	5.42	-46.50
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020235603	1	42	-2.0	-97.69	368.72	4.60	-93.09
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020235603	1	42	-2.0	-97.63	368.66	4.59	-93.04
CCOC(=O)CC1=CN=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020235604	0	40	-1.0	-64.29	354.30	4.52	-59.77
CCOC(=O)CC1=CN=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020235604	1	40	-1.0	-64.27	354.24	4.50	-59.77
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020235604	1	39	-2.0	-122.09	352.84	3.46	-118.63
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020235604	1	39	-2.0	-122.13	352.90	3.49	-118.64
CCOC(=O)CC1=CN=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020235605	0	43	-1.0	-56.56	397.91	4.49	-52.07
CCOC(=O)CC1=CN=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020235605	1	43	-1.0	-56.61	397.86	4.48	-52.13
CCOC(=O)CC1=CN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020235605	1	42	-2.0	-112.03	394.61	3.28	-108.75
CCOC(=O)CC1=CN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020235605	1	42	-2.0	-112.02	394.66	3.30	-108.72
CCOC(=O)CC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020235606	0	40	-1.0	-52.13	355.78	4.58	-47.55
CCOC(=O)CC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020235606	1	40	-1.0	-52.09	355.71	4.56	-47.53
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020235606	1	39	-2.0	-99.66	353.69	3.54	-96.12
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020235606	1	39	-2.0	-99.65	353.62	3.53	-96.12
CCOC(=O)CC1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020235607	0	46	-1.0	-60.28	377.98	6.29	-53.99
CCOC(=O)CC1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020235607	1	46	-1.0	-60.25	377.93	6.28	-53.97
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020235607	1	45	-2.0	-115.69	377.29	5.57	-110.12
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020235607	1	45	-2.0	-115.71	377.24	5.57	-110.14
CSC1=CC(C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235608	0	42	-1.0	-42.07	361.51	6.59	-35.48
CSC1=CC(C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235608	1	42	-1.0	-42.04	361.45	6.57	-35.47
CSC1=CC(C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235609	0	42	-1.0	-43.82	342.20	6.12	-37.70
CSC1=CC(C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235609	1	42	-1.0	-43.75	342.26	6.13	-37.62
CSC1=CC(C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235610	0	39	-1.0	-55.17	328.17	5.21	-49.96
CSC1=CC(C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235610	1	39	-1.0	-55.22	328.22	5.23	-49.99
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1SC)C1=N[N-]N=N1	REAL300020235611	0	42	-1.0	-47.96	370.80	5.15	-42.81
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1SC)C1=NN=N[N-]1	REAL300020235611	1	42	-1.0	-47.93	370.86	5.16	-42.77
CSC1=CC(C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235612	0	39	-1.0	-43.92	329.52	5.25	-38.67
CSC1=CC(C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235612	1	39	-1.0	-43.88	329.60	5.27	-38.61
CSC1=CC(C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235613	0	45	-1.0	-50.72	351.09	7.09	-43.63
CSC1=CC(C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235613	1	45	-1.0	-50.70	351.14	7.09	-43.61
CCN1C=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1=O	REAL300020235614	0	41	-1.0	-61.17	351.11	5.21	-55.96
CCN1C=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1=O	REAL300020235614	1	41	-1.0	-61.10	351.05	5.19	-55.91
CCN1C=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020235615	0	41	-1.0	-48.37	327.85	3.98	-44.39
CCN1C=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020235615	1	41	-1.0	-48.35	327.90	3.99	-44.36
CCN1C=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020235616	0	38	-1.0	-67.58	316.75	3.87	-63.71
CCN1C=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020235616	1	38	-1.0	-67.59	316.81	3.88	-63.71
CCN1C=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1=O	REAL300020235617	0	41	-1.0	-59.47	360.34	3.78	-55.69
CCN1C=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1=O	REAL300020235617	1	41	-1.0	-59.49	360.40	3.80	-55.69
CCN1C=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020235618	0	38	-1.0	-59.16	317.74	4.23	-54.93
CCN1C=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020235618	1	38	-1.0	-59.12	317.82	4.25	-54.87
CCN1C=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020235619	0	44	-1.0	-63.36	339.91	5.79	-57.57
CCN1C=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020235619	1	44	-1.0	-63.40	339.96	5.80	-57.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC(OCC(F)(F)F)=N1	REAL300020235620	0	40	-1.0	-51.21	367.78	2.63	-48.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC(OCC(F)(F)F)=N1	REAL300020235620	1	40	-1.0	-51.18	367.72	2.60	-48.58
O=C(NC1=CC=NC(OCC(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235621	0	40	-1.0	-43.72	345.78	1.29	-42.43
O=C(NC1=CC=NC(OCC(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235621	1	40	-1.0	-43.73	345.72	1.27	-42.46
O=C(NC1=CC=NC(OCC(F)(F)F)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020235622	0	37	-1.0	-65.94	333.25	1.23	-64.71
O=C(NC1=CC=NC(OCC(F)(F)F)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020235622	1	37	-1.0	-65.90	333.19	1.22	-64.68
CSCC[C@H](NC(=O)NC1=CC=NC(OCC(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020235623	0	40	-1.0	-57.67	376.79	1.20	-56.47
CSCC[C@H](NC(=O)NC1=CC=NC(OCC(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020235623	1	40	-1.0	-57.69	376.73	1.19	-56.50
O=C(NC1=CC=NC(OCC(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235624	0	37	-1.0	-54.79	334.63	1.29	-53.50
O=C(NC1=CC=NC(OCC(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235624	1	37	-1.0	-54.81	334.55	1.28	-53.53
O=C(NC1=CC=NC(OCC(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235625	0	43	-1.0	-47.81	361.45	2.17	-45.64
O=C(NC1=CC=NC(OCC(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235625	1	43	-1.0	-47.89	361.39	2.16	-45.73
CN1N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC1=O	REAL300020235626	0	37	-1.0	-62.52	325.67	3.01	-59.51
CN1N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC1=O	REAL300020235626	1	37	-1.0	-62.49	325.62	2.98	-59.51
CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC1=O	REAL300020235627	0	37	-1.0	-51.26	307.15	2.53	-48.73
CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC1=O	REAL300020235627	1	37	-1.0	-51.28	307.20	2.54	-48.74
CSCC[C@H](NC(=O)NC1=NN(C)C(=O)C=C1)C1=N[N-]N=N1	REAL300020235628	0	37	-1.0	-53.63	335.30	1.57	-52.06
CSCC[C@H](NC(=O)NC1=NN(C)C(=O)C=C1)C1=NN=N[N-]1	REAL300020235628	1	37	-1.0	-53.63	335.36	1.59	-52.04
CN1N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC1=O	REAL300020235629	0	40	-1.0	-55.91	315.60	3.39	-52.52
CN1N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC1=O	REAL300020235629	1	40	-1.0	-55.97	315.66	3.40	-52.57
O=C(NC1=CSN=C1C1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235630	0	41	-1.0	-40.47	362.34	6.35	-34.12
O=C(NC1=CSN=C1C1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235630	1	41	-1.0	-40.45	362.28	6.33	-34.12
O=C(NC1=CSN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235631	0	41	-1.0	-42.23	342.96	5.80	-36.43
O=C(NC1=CSN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235631	1	41	-1.0	-42.20	342.90	5.78	-36.42
O=C(NC1=CSN=C1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235632	0	38	-1.0	-50.91	327.67	4.91	-46.00
O=C(NC1=CSN=C1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235632	1	38	-1.0	-50.85	327.62	4.88	-45.97
CSCC[C@H](NC(=O)NC1=CSN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020235633	0	41	-1.0	-44.05	371.19	4.88	-39.17
CSCC[C@H](NC(=O)NC1=CSN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020235633	1	41	-1.0	-44.01	371.13	4.86	-39.15
O=C(NC1=CSN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235634	0	38	-1.0	-41.96	329.05	4.96	-37.00
O=C(NC1=CSN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235634	1	38	-1.0	-41.91	328.97	4.95	-36.96
O=C(NC1=CSN=C1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235635	0	44	-1.0	-48.58	351.56	6.80	-41.78
O=C(NC1=CSN=C1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235635	1	44	-1.0	-48.51	351.52	6.79	-41.72
CS(=N)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020235636	0	42	-1.0	-70.76	368.45	1.43	-69.33
CS(=N)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020235636	1	42	-1.0	-70.73	368.39	1.40	-69.33
CS(=N)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020235637	0	42	-1.0	-52.99	347.99	1.00	-51.99
CS(=N)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020235637	1	42	-1.0	-53.00	348.05	1.01	-51.99
CS(=N)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020235638	0	39	-1.0	-69.18	333.74	0.05	-69.13
CS(=N)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020235638	1	39	-1.0	-69.19	333.80	0.06	-69.13
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=N)=O)C=C1)C1=N[N-]N=N1	REAL300020235639	0	42	-1.0	-62.73	377.41	-0.01	-62.74
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=N)=O)C=C1)C1=NN=N[N-]1	REAL300020235639	1	42	-1.0	-62.70	377.47	0.01	-62.69
CS(=N)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020235640	0	39	-1.0	-57.79	335.00	0.12	-57.67
CS(=N)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020235640	1	39	-1.0	-57.80	335.08	0.12	-57.68
CS(=N)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020235641	0	45	-1.0	-54.10	357.86	1.96	-52.14
CS(=N)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020235641	1	45	-1.0	-54.10	357.92	1.96	-52.14
CS(=O)(=O)C1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235642	0	41	-1.0	-49.27	363.24	3.26	-46.01
CS(=O)(=O)C1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235642	1	41	-1.0	-49.25	363.19	3.24	-46.01
CS(=O)(=O)C1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235643	0	41	-1.0	-47.93	342.72	2.65	-45.28
CS(=O)(=O)C1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235643	1	41	-1.0	-47.93	342.78	2.66	-45.27
CS(=O)(=O)C1=C(F)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235644	0	38	-1.0	-63.12	329.27	1.78	-61.34
CS(=O)(=O)C1=C(F)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235644	1	38	-1.0	-63.16	329.33	1.80	-61.36
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1S(C)(=O)=O)C1=N[N-]N=N1	REAL300020235645	0	41	-1.0	-50.62	372.78	1.75	-48.87
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1S(C)(=O)=O)C1=NN=N[N-]1	REAL300020235645	1	41	-1.0	-50.64	372.84	1.77	-48.87
CS(=O)(=O)C1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235646	0	38	-1.0	-48.58	328.16	1.74	-46.84
CS(=O)(=O)C1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235646	1	38	-1.0	-48.61	328.23	1.75	-46.86
CS(=O)(=O)C1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235647	0	44	-1.0	-50.44	348.31	3.62	-46.82
CS(=O)(=O)C1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235647	1	44	-1.0	-50.46	348.34	3.64	-46.82
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OCC[NH+](C)C	REAL300020235648	0	55	0.0	-65.94	421.66	5.82	-60.12
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OCC[NH+](C)C	REAL300020235648	1	55	0.0	-65.94	421.72	5.84	-60.10
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OCC[NH+](C)C	REAL300020235649	0	52	0.0	-72.39	405.95	4.95	-67.44
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OCC[NH+](C)C	REAL300020235649	1	52	0.0	-72.39	406.01	4.97	-67.42
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC[NH+](C)C	REAL300020235650	0	52	0.0	-66.84	407.65	4.98	-61.86
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC[NH+](C)C	REAL300020235650	1	52	0.0	-66.85	407.73	4.99	-61.86
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCCCC(=O)C2=C1	REAL300020235651	0	47	-1.0	-67.20	386.20	6.96	-60.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCCCC(=O)C2=C1	REAL300020235651	1	47	-1.0	-67.20	386.14	6.94	-60.26
O=C(NC1=CC=C2CCCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235652	0	47	-1.0	-50.91	366.84	6.47	-44.44
O=C(NC1=CC=C2CCCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235652	1	47	-1.0	-50.98	366.90	6.49	-44.49
O=C(NC1=CC=C2CCCCC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235653	0	44	-1.0	-58.49	351.85	5.52	-52.97
O=C(NC1=CC=C2CCCCC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235653	1	44	-1.0	-58.54	351.91	5.54	-53.00
CSCC[C@H](NC(=O)NC1=CC=C2CCCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300020235654	0	47	-1.0	-55.26	395.33	5.49	-49.77
CSCC[C@H](NC(=O)NC1=CC=C2CCCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300020235654	1	47	-1.0	-55.30	395.39	5.51	-49.79
O=C(NC1=CC=C2CCCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235655	0	44	-1.0	-53.05	353.16	5.59	-47.46
O=C(NC1=CC=C2CCCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235655	1	44	-1.0	-53.07	353.23	5.60	-47.47
O=C(NC1=CC=C2CCCCC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235656	0	50	-1.0	-53.14	375.20	7.34	-45.80
O=C(NC1=CC=C2CCCCC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235656	1	50	-1.0	-53.14	375.25	7.35	-45.79
O=C(NC1=CC=C(OC2=CC=NC(Cl)=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235657	0	41	-1.0	-57.09	366.82	3.38	-53.71
O=C(NC1=CC=C(OC2=CC=NC(Cl)=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235657	1	41	-1.0	-57.05	366.77	3.36	-53.69
O=C(NC1=CC=C(OC2=CC=NC(Cl)=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235658	0	41	-1.0	-48.15	368.35	3.42	-44.73
O=C(NC1=CC=C(OC2=CC=NC(Cl)=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235658	1	41	-1.0	-48.14	368.27	3.41	-44.73
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020235659	0	46	-2.0	-94.36	385.76	5.66	-88.70
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020235659	1	46	-2.0	-94.37	385.82	5.69	-88.68
CC1(C)CCC2=C(C1)SC(NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020235659	1	47	-1.0	-45.52	389.02	6.86	-38.66
CC1(C)CCC2=C(C1)SC(NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020235659	1	47	-1.0	-45.50	389.08	6.89	-38.61
CC1(C)CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)=N2	REAL300020235660	0	47	-1.0	-47.61	369.82	6.38	-41.23
CC1(C)CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)=N2	REAL300020235660	1	47	-1.0	-47.65	369.88	6.40	-41.25
CC1(C)CCC2=C(C1)SC(NC(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020235661	0	44	-1.0	-60.16	354.44	5.48	-54.68
CC1(C)CCC2=C(C1)SC(NC(=O)N1CCCC1C1=NN=N[N-]1)=N2	REAL300020235661	1	44	-1.0	-60.17	354.49	5.49	-54.68
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020235661	1	43	-2.0	-120.58	352.98	4.44	-116.14
CSCC[C@H](NC(=O)NC1=NC2=C(CC(C)(C)CC2)S1)C1=N[N-]N=N1	REAL300020235662	0	47	-1.0	-51.97	398.00	5.45	-46.52
CSCC[C@H](NC(=O)NC1=NC2=C(CC(C)(C)CC2)S1)C1=NN=N[N-]1	REAL300020235662	1	47	-1.0	-51.93	398.06	5.46	-46.47
CC1(C)CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020235663	0	44	-1.0	-48.34	355.84	5.55	-42.79
CC1(C)CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020235663	1	44	-1.0	-48.37	355.91	5.56	-42.81
CC1(C)CCC2=C(C1)SC(NC(=O)N1CCCCC1CC1=N[N-]N=N1)=N2	REAL300020235664	0	50	-1.0	-55.72	378.31	7.26	-48.46
CC1(C)CCC2=C(C1)SC(NC(=O)N1CCCCC1CC1=NN=N[N-]1)=N2	REAL300020235664	1	50	-1.0	-55.74	378.36	7.27	-48.47
COC1=CC=CC(SC)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235665	0	43	-1.0	-44.49	367.43	6.42	-38.07
COC1=CC=CC(SC)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235665	1	43	-1.0	-44.47	367.38	6.39	-38.08
COC1=CC=CC(SC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235666	0	43	-1.0	-47.00	351.10	6.01	-40.99
COC1=CC=CC(SC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235666	1	43	-1.0	-47.00	351.16	6.03	-40.97
COC1=CC=CC(SC)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235667	0	40	-1.0	-59.33	341.65	4.03	-55.30
COC1=CC=CC(SC)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235667	1	40	-1.0	-59.32	341.71	4.06	-55.26
COC1=CC=CC(SC)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020235668	0	43	-1.0	-52.83	385.18	4.00	-48.83
COC1=CC=CC(SC)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020235668	1	43	-1.0	-52.81	385.23	4.01	-48.80
COC1=CC=CC(SC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235669	0	40	-1.0	-48.56	343.01	4.09	-44.47
COC1=CC=CC(SC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235669	1	40	-1.0	-48.55	343.08	4.11	-44.44
COC1=CC=CC(SC)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235670	0	46	-1.0	-52.59	359.09	6.59	-46.00
COC1=CC=CC(SC)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235670	1	46	-1.0	-52.54	359.11	6.61	-45.93
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C#N)=CN1CC	REAL300020235671	0	49	-1.0	-55.11	407.43	6.88	-48.23
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C#N)=CN1CC	REAL300020235671	1	49	-1.0	-55.14	407.49	6.89	-48.25
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C#N)=CN1CC	REAL300020235672	0	46	-1.0	-67.36	393.66	6.04	-61.32
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C#N)=CN1CC	REAL300020235672	1	46	-1.0	-67.38	393.71	6.05	-61.33
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C#N)=CN1CC	REAL300020235673	0	46	-1.0	-54.99	395.10	6.09	-48.90
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C#N)=CN1CC	REAL300020235673	1	46	-1.0	-55.01	395.18	6.10	-48.91
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C(C)C	REAL300020235674	0	44	-1.0	-44.54	367.02	5.58	-38.96
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C(C)C	REAL300020235674	1	44	-1.0	-44.52	366.96	5.56	-38.96
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C(C)C	REAL300020235675	0	44	-1.0	-46.47	347.75	5.08	-41.39
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C(C)C	REAL300020235675	1	44	-1.0	-46.47	347.81	5.09	-41.38
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C(C)C	REAL300020235676	0	41	-1.0	-55.88	332.32	4.18	-51.70
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C(C)C	REAL300020235676	1	41	-1.0	-55.89	332.37	4.18	-51.71
CSCC[C@H](NC(=O)NC1=NN(C(C)C)C(C)=C1)C1=N[N-]N=N1	REAL300020235677	0	44	-1.0	-49.35	375.94	4.14	-45.21
CSCC[C@H](NC(=O)NC1=NN(C(C)C)C(C)=C1)C1=NN=N[N-]1	REAL300020235677	1	44	-1.0	-49.33	375.99	4.16	-45.17
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C(C)C	REAL300020235678	0	41	-1.0	-45.66	333.79	4.23	-41.43
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C(C)C	REAL300020235678	1	41	-1.0	-45.64	333.86	4.25	-41.39
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C(C)C	REAL300020235679	0	47	-1.0	-51.59	355.75	5.98	-45.61
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C(C)C	REAL300020235679	1	47	-1.0	-51.60	355.79	5.99	-45.61
COC(=O)CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020235680	0	44	-1.0	-49.78	385.18	6.30	-43.48
COC(=O)CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020235680	1	44	-1.0	-49.78	385.24	6.32	-43.46
COC(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020235681	0	44	-1.0	-48.69	366.45	5.77	-42.92
COC(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020235681	1	44	-1.0	-48.69	366.50	5.78	-42.91
COC(=O)CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020235682	0	41	-1.0	-59.40	351.15	4.84	-54.56
COC(=O)CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020235682	1	41	-1.0	-59.37	351.21	4.86	-54.51
COC(=O)CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020235683	0	44	-1.0	-57.36	394.68	4.80	-52.56
COC(=O)CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020235683	1	44	-1.0	-57.35	394.74	4.82	-52.53
COC(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020235684	0	41	-1.0	-51.46	352.52	4.90	-46.56
COC(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020235684	1	41	-1.0	-51.46	352.59	4.91	-46.55
COC(=O)CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020235685	0	47	-1.0	-47.57	380.93	5.95	-41.62
COC(=O)CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020235685	1	47	-1.0	-47.61	380.98	5.98	-41.63
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020235686	0	42	-1.0	-40.63	360.14	5.15	-35.48
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020235686	1	42	-1.0	-40.61	360.09	5.13	-35.48
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020235687	0	42	-1.0	-41.60	340.39	4.63	-36.97
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020235687	1	42	-1.0	-41.65	340.44	4.64	-37.01
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020235688	0	39	-1.0	-50.70	324.96	3.71	-46.99
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020235688	1	39	-1.0	-50.71	325.02	3.73	-46.98
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(F)=C1	REAL300020235689	0	42	-1.0	-44.75	368.48	3.67	-41.08
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(F)=C1	REAL300020235689	1	42	-1.0	-44.77	368.54	3.68	-41.09
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020235690	0	39	-1.0	-41.49	326.34	3.77	-37.72
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020235690	1	39	-1.0	-41.45	326.41	3.79	-37.66
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020235691	0	45	-1.0	-42.61	352.91	4.79	-37.82
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020235691	1	45	-1.0	-42.58	352.97	4.80	-37.78
COC1=CC(F)=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235692	0	39	-1.0	-43.09	340.04	4.35	-38.74
COC1=CC(F)=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235692	1	39	-1.0	-43.14	340.10	4.36	-38.78
COC1=CC(F)=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235693	0	36	-1.0	-53.33	324.30	3.46	-49.87
COC1=CC(F)=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235693	1	36	-1.0	-53.36	324.36	3.48	-49.88
COC1=CC(F)=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235694	0	36	-1.0	-43.03	325.68	3.50	-39.53
COC1=CC(F)=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235694	1	36	-1.0	-43.08	325.75	3.52	-39.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(Cl)C(C(F)(F)F)=C1	REAL300020235695	0	37	-1.0	-54.48	350.18	4.34	-50.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(Cl)C(C(F)(F)F)=C1	REAL300020235695	1	37	-1.0	-54.49	350.13	4.31	-50.18
O=C(NC1=CN=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235696	0	37	-1.0	-42.63	331.20	3.79	-38.84
O=C(NC1=CN=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235696	1	37	-1.0	-42.61	331.14	3.77	-38.84
O=C(NC1=CN=C(Cl)C(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235697	0	34	-1.0	-50.54	315.93	2.94	-47.60
O=C(NC1=CN=C(Cl)C(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235697	1	34	-1.0	-50.51	315.88	2.92	-47.59
CSCC[C@H](NC(=O)NC1=CN=C(Cl)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020235698	0	37	-1.0	-46.68	359.41	2.90	-43.78
CSCC[C@H](NC(=O)NC1=CN=C(Cl)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020235698	1	37	-1.0	-46.69	359.36	2.88	-43.81
O=C(NC1=CN=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235699	0	34	-1.0	-43.63	317.04	3.01	-40.62
O=C(NC1=CN=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235699	1	34	-1.0	-43.58	316.97	2.99	-40.59
O=C(NC1=CN=C(Cl)C(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235700	0	40	-1.0	-35.81	343.90	4.01	-31.80
O=C(NC1=CN=C(Cl)C(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235700	1	40	-1.0	-35.79	343.82	4.01	-31.78
O=C(NC1=C(C2=CC=CC=C2)N=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235701	0	48	-1.0	-46.90	387.16	9.48	-37.42
O=C(NC1=C(C2=CC=CC=C2)N=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235701	1	48	-1.0	-46.94	387.10	9.47	-37.47
O=C(NC1=C(C2=CC=CC=C2)N=C2C=CC=CN21)N1CCCC1C1=NN=N[N-]1	REAL300020235702	0	45	-1.0	-54.24	369.52	8.51	-45.73
O=C(NC1=C(C2=CC=CC=C2)N=C2C=CC=CN21)N1CCCC1C1=N[N-]N=N1	REAL300020235702	1	45	-1.0	-54.23	369.46	8.49	-45.74
O=C(NC1=C(C2=CC=CC=C2)N=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020235703	0	45	-1.0	-45.73	370.76	8.56	-37.17
O=C(NC1=C(C2=CC=CC=C2)N=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020235703	1	45	-1.0	-45.76	370.69	8.55	-37.21
COCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020235704	0	43	-1.0	-51.24	364.80	4.22	-47.02
COCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020235704	1	43	-1.0	-51.22	364.75	4.20	-47.02
COCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020235705	0	43	-1.0	-45.66	344.24	3.75	-41.91
COCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020235705	1	43	-1.0	-45.68	344.30	3.76	-41.92
COCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020235706	0	40	-1.0	-56.57	330.12	2.82	-53.75
COCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020235706	1	40	-1.0	-56.53	330.18	2.84	-53.69
COCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020235707	0	43	-1.0	-50.43	373.93	2.75	-47.68
COCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020235707	1	43	-1.0	-50.37	373.98	2.76	-47.61
COCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020235708	0	40	-1.0	-46.09	331.82	2.85	-43.24
COCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020235708	1	40	-1.0	-46.14	331.89	2.86	-43.28
COCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020235709	0	46	-1.0	-50.46	353.69	4.62	-45.84
COCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020235709	1	46	-1.0	-50.48	353.74	4.64	-45.84
O=C(NC1=C(C2=CC=CC=N2)N=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235710	0	47	-1.0	-48.64	385.10	7.62	-41.02
O=C(NC1=C(C2=CC=CC=N2)N=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235710	1	47	-1.0	-48.57	385.16	7.63	-40.94
O=C(NC1=C(C2=CC=CC=N2)N=C2C=CC=CN21)N1CCCC1C1=N[N-]N=N1	REAL300020235711	0	44	-1.0	-60.59	375.47	6.79	-53.80
O=C(NC1=C(C2=CC=CC=N2)N=C2C=CC=CN21)N1CCCC1C1=NN=N[N-]1	REAL300020235711	1	44	-1.0	-60.61	375.53	6.81	-53.80
O=C(NC1=C(C2=CC=CC=N2)N=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020235712	0	44	-1.0	-51.60	376.85	6.84	-44.76
O=C(NC1=C(C2=CC=CC=N2)N=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020235712	1	44	-1.0	-51.58	376.92	6.85	-44.73
O=C(NC1=CC=C(N=S2(=O)CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235713	0	49	-1.0	-58.47	390.04	4.21	-54.26
O=C(NC1=CC=C(N=S2(=O)CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235713	1	49	-1.0	-58.49	390.10	4.22	-54.27
O=C(NC1=CC=C(N=S2(=O)CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235714	0	46	-1.0	-72.23	374.33	3.33	-68.90
O=C(NC1=CC=C(N=S2(=O)CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235714	1	46	-1.0	-72.20	374.39	3.35	-68.85
O=C(NC1=CC=C(N=S2(=O)CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235715	0	46	-1.0	-59.30	375.67	3.40	-55.90
O=C(NC1=CC=C(N=S2(=O)CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235715	1	46	-1.0	-59.29	375.75	3.41	-55.88
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N2C=CC=CC2=N1	REAL300020235716	0	47	-1.0	-46.05	384.60	7.21	-38.84
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N2C=CC=CC2=N1	REAL300020235716	1	47	-1.0	-46.03	384.54	7.19	-38.84
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL300020235717	0	44	-1.0	-66.78	377.42	6.40	-60.38
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL300020235717	1	44	-1.0	-66.74	377.36	6.38	-60.36
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N2C=CC=CC2=N1	REAL300020235718	0	44	-1.0	-45.29	368.78	6.30	-38.99
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N2C=CC=CC2=N1	REAL300020235718	1	44	-1.0	-45.26	368.70	6.30	-38.96
CCOC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N2C=CC=CC2=N1	REAL300020235719	0	50	-1.0	-55.46	396.10	6.85	-48.61
CCOC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N2C=CC=CC2=N1	REAL300020235719	1	50	-1.0	-55.48	396.04	6.84	-48.64
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N1CCCCC1	REAL300020235720	0	53	-1.0	-57.32	418.30	6.57	-50.75
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N1CCCCC1	REAL300020235720	1	53	-1.0	-57.31	418.36	6.58	-50.73
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1CCCCC1	REAL300020235721	0	53	-1.0	-49.03	419.67	6.63	-42.40
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCCCC1	REAL300020235721	1	53	-1.0	-49.01	419.74	6.64	-42.37
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1CC(F)(F)F	REAL300020235722	0	41	-1.0	-50.48	365.01	5.26	-45.22
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1CC(F)(F)F	REAL300020235722	1	41	-1.0	-50.49	365.06	5.28	-45.21
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1CC(F)(F)F	REAL300020235723	0	41	-1.0	-47.57	345.72	4.78	-42.79
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1CC(F)(F)F	REAL300020235723	1	41	-1.0	-47.57	345.78	4.79	-42.78
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1CC(F)(F)F	REAL300020235724	0	38	-1.0	-54.72	328.80	3.83	-50.89
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1CC(F)(F)F	REAL300020235724	1	38	-1.0	-54.76	328.85	3.84	-50.92
CSCC[C@H](NC(=O)NC1=NN(CC(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300020235725	0	41	-1.0	-48.66	373.90	3.85	-44.81
CSCC[C@H](NC(=O)NC1=NN(CC(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300020235725	1	41	-1.0	-48.71	373.95	3.86	-44.85
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1CC(F)(F)F	REAL300020235726	0	38	-1.0	-46.06	331.74	3.93	-42.13
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1CC(F)(F)F	REAL300020235726	1	38	-1.0	-46.04	331.81	3.95	-42.09
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1CC(F)(F)F	REAL300020235727	0	44	-1.0	-51.89	353.68	5.69	-46.20
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1CC(F)(F)F	REAL300020235727	1	44	-1.0	-51.90	353.72	5.69	-46.21
COC(=O)C1CCC2=C(C1)N=C(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)S2	REAL300020235728	0	47	-1.0	-44.16	386.45	5.67	-38.49
COC(=O)C1CCC2=C(C1)N=C(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)S2	REAL300020235728	1	47	-1.0	-44.13	386.51	5.69	-38.44
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)N1CCC(C3=N[N-]N=N3)CC1)S2	REAL300020235728	1	46	-2.0	-90.98	385.40	4.83	-86.15
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)N1CCC(C3=NN=N[N-]3)CC1)S2	REAL300020235728	1	46	-2.0	-90.96	385.46	4.84	-86.12
COC(=O)C1CCC2=C(C1)N=C(NC(=O)N1CCCC1C1=N[N-]N=N1)S2	REAL300020235729	0	44	-1.0	-51.37	371.00	4.76	-46.61
COC(=O)C1CCC2=C(C1)N=C(NC(=O)N1CCCC1C1=NN=N[N-]1)S2	REAL300020235729	1	44	-1.0	-51.41	371.06	4.77	-46.64
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)N1CCCC1C1=N[N-]N=N1)S2	REAL300020235729	1	43	-2.0	-111.52	369.59	3.72	-107.80
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)N1CCCC1C1=NN=N[N-]1)S2	REAL300020235729	1	43	-2.0	-111.52	369.65	3.74	-107.78
COC(=O)C1CCC2=C(C1)N=C(NC(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020235730	0	44	-1.0	-42.84	372.48	4.81	-38.03
COC(=O)C1CCC2=C(C1)N=C(NC(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020235730	1	44	-1.0	-42.84	372.55	4.82	-38.02
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020235730	1	43	-2.0	-91.30	370.34	3.76	-87.54
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020235730	1	43	-2.0	-91.36	370.41	3.78	-87.58
CC1(C)CCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)S2	REAL300020235731	0	43	-2.0	-92.48	371.01	4.81	-87.67
CC1(C)CCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)S2	REAL300020235731	1	43	-2.0	-92.47	370.95	4.79	-87.68
CC1(C)CCC2=C1N=C(NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)S2	REAL300020235731	1	44	-1.0	-41.86	374.26	6.02	-35.84
CC1(C)CCC2=C1N=C(NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)S2	REAL300020235731	1	44	-1.0	-41.86	374.20	5.99	-35.87
CC1(C)CCC2=C1N=C(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)S2	REAL300020235732	0	44	-1.0	-43.70	355.08	5.56	-38.14
CC1(C)CCC2=C1N=C(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)S2	REAL300020235732	1	44	-1.0	-43.76	355.02	5.55	-38.21
CC1(C)CCC2=C1N=C(NC(=O)N1CCCC1C1=NN=N[N-]1)S2	REAL300020235733	0	41	-1.0	-51.44	339.60	4.63	-46.81
CC1(C)CCC2=C1N=C(NC(=O)N1CCCC1C1=N[N-]N=N1)S2	REAL300020235733	1	41	-1.0	-51.43	339.55	4.62	-46.81
CSCC[C@H](NC(=O)NC1=NC2=C(CCC2(C)C)S1)C1=NN=N[N-]1	REAL300020235734	0	44	-1.0	-45.44	383.23	4.60	-40.84
CSCC[C@H](NC(=O)NC1=NC2=C(CCC2(C)C)S1)C1=N[N-]N=N1	REAL300020235734	1	44	-1.0	-45.43	383.17	4.59	-40.84
CC1(C)CCC2=C1N=C(NC(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020235735	0	41	-1.0	-42.30	341.10	4.68	-37.62
CC1(C)CCC2=C1N=C(NC(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020235735	1	41	-1.0	-42.27	341.02	4.67	-37.60
CC1(C)CCC2=C1N=C(NC(=O)N1CCCCC1CC1=NN=N[N-]1)S2	REAL300020235736	0	47	-1.0	-48.03	363.44	6.42	-41.61
CC1(C)CCC2=C1N=C(NC(=O)N1CCCCC1CC1=N[N-]N=N1)S2	REAL300020235736	1	47	-1.0	-48.04	363.41	6.42	-41.62
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235737	0	40	-1.0	-44.19	358.54	5.68	-38.51
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235737	1	40	-1.0	-44.22	358.48	5.66	-38.56
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235738	0	40	-1.0	-44.88	339.64	5.19	-39.69
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235738	1	40	-1.0	-44.83	339.58	5.18	-39.65
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235739	0	37	-1.0	-59.23	324.62	4.23	-55.00
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235739	1	37	-1.0	-59.23	324.56	4.21	-55.02
CSCC[C@H](NC(=O)NC1=CC2=C(Cl)N=CC=C2C=C1)C1=NN=N[N-]1	REAL300020235740	0	40	-1.0	-51.71	368.12	4.19	-47.52
CSCC[C@H](NC(=O)NC1=CC2=C(Cl)N=CC=C2C=C1)C1=N[N-]N=N1	REAL300020235740	1	40	-1.0	-51.69	368.06	4.18	-47.51
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235741	0	37	-1.0	-43.78	325.94	4.28	-39.50
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235741	1	37	-1.0	-43.75	325.86	4.26	-39.49
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235742	0	43	-1.0	-43.63	353.80	5.38	-38.25
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235742	1	43	-1.0	-43.64	353.74	5.37	-38.27
O=C(NC1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235743	0	42	-1.0	-57.53	355.93	7.02	-50.51
O=C(NC1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235743	1	42	-1.0	-57.54	355.87	7.00	-50.54
O=C(NC1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235744	0	42	-1.0	-48.28	357.42	7.07	-41.21
O=C(NC1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235744	1	42	-1.0	-48.26	357.34	7.06	-41.20
CC(=O)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020235745	0	44	-1.0	-48.42	367.82	4.67	-43.75
CC(=O)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020235745	1	44	-1.0	-48.44	367.76	4.64	-43.80
CC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020235746	0	44	-1.0	-48.53	349.60	4.06	-44.47
CC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020235746	1	44	-1.0	-48.48	349.54	4.05	-44.43
CC(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020235747	0	41	-1.0	-60.07	333.09	3.17	-56.90
CC(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020235747	1	41	-1.0	-60.06	333.03	3.15	-56.91
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C(C)=O)N=C1)C1=NN=N[N-]1	REAL300020235748	0	44	-1.0	-55.43	376.89	3.13	-52.30
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C(C)=O)N=C1)C1=N[N-]N=N1	REAL300020235748	1	44	-1.0	-55.41	376.83	3.12	-52.29
CC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020235749	0	41	-1.0	-50.87	335.58	3.30	-47.57
CC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020235749	1	41	-1.0	-50.87	335.51	3.30	-47.57
CC(=O)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020235750	0	47	-1.0	-48.11	363.30	4.17	-43.94
CC(=O)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020235750	1	47	-1.0	-48.08	363.26	4.14	-43.94
CCC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C	REAL300020235751	0	41	-1.0	-44.46	346.64	4.76	-39.70
CCC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C	REAL300020235751	1	41	-1.0	-44.43	346.59	4.73	-39.70
CCC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C	REAL300020235752	0	41	-1.0	-46.46	326.70	4.25	-42.21
CCC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C	REAL300020235752	1	41	-1.0	-46.49	326.76	4.27	-42.22
CCC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NN1C	REAL300020235753	0	41	-1.0	-49.30	355.57	3.32	-45.98
CCC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NN1C	REAL300020235753	1	41	-1.0	-49.31	355.63	3.33	-45.98
CCC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020235754	0	44	-1.0	-51.46	335.35	5.16	-46.30
CCC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020235754	1	44	-1.0	-51.46	335.39	5.16	-46.30
CC(C)OC1=CC(C(N)=O)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235755	0	49	-1.0	-44.60	404.52	2.56	-42.04
CC(C)OC1=CC(C(N)=O)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235755	1	49	-1.0	-44.61	404.46	2.53	-42.08
CC(C)OC1=CC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235756	0	49	-1.0	-45.69	387.68	2.10	-43.59
CC(C)OC1=CC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235756	1	49	-1.0	-45.69	387.74	2.11	-43.58
CC(C)OC1=CC(C(N)=O)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235757	0	46	-1.0	-52.73	372.55	1.24	-51.49
CC(C)OC1=CC(C(N)=O)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235757	1	46	-1.0	-52.75	372.61	1.26	-51.49
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)C=C1OC(C)C)C1=N[N-]N=N1	REAL300020235758	0	49	-1.0	-48.31	415.20	1.15	-47.16
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)C=C1OC(C)C)C1=NN=N[N-]1	REAL300020235758	1	49	-1.0	-48.32	415.25	1.17	-47.15
CC(C)OC1=CC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235759	0	46	-1.0	-45.46	373.63	1.23	-44.23
CC(C)OC1=CC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235759	1	46	-1.0	-45.50	373.70	1.24	-44.26
CC(C)OC1=CC(C(N)=O)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235760	0	52	-1.0	-47.10	400.98	2.29	-44.81
CC(C)OC1=CC(C(N)=O)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235760	1	52	-1.0	-47.12	401.03	2.31	-44.81
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=CC=C1OC(F)F	REAL300020235761	0	39	-1.0	-42.83	357.64	4.96	-37.87
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=CC=C1OC(F)F	REAL300020235761	1	39	-1.0	-42.82	357.70	4.99	-37.83
O=C(NC1=CC(Cl)=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235762	0	39	-1.0	-44.58	339.51	4.48	-40.10
O=C(NC1=CC(Cl)=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235762	1	39	-1.0	-44.60	339.57	4.50	-40.10
O=C(NC1=CC(Cl)=CC=C1OC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020235763	0	36	-1.0	-53.53	323.00	3.58	-49.95
O=C(NC1=CC(Cl)=CC=C1OC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020235763	1	36	-1.0	-53.57	323.06	3.61	-49.96
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020235764	0	39	-1.0	-48.28	366.50	3.54	-44.74
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020235764	1	39	-1.0	-48.29	366.56	3.56	-44.73
O=C(NC1=CC(Cl)=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020235765	0	36	-1.0	-44.49	325.15	3.64	-40.85
O=C(NC1=CC(Cl)=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020235765	1	36	-1.0	-44.47	325.23	3.65	-40.82
O=C(NC1=CC(Cl)=CC=C1OC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020235766	0	42	-1.0	-49.99	346.98	5.37	-44.62
O=C(NC1=CC(Cl)=CC=C1OC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020235766	1	42	-1.0	-50.05	347.04	5.37	-44.68
C[C@H](NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020235767	0	34	-1.0	-39.37	307.36	3.14	-36.23
C[C@H](NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020235767	1	34	-1.0	-39.33	307.30	3.11	-36.22
CSCC[C@H](NC(=O)N[C@@H](C)C(F)(F)F)C1=N[N-]N=N1	REAL300020235768	0	34	-1.0	-42.17	316.28	1.70	-40.47
CSCC[C@H](NC(=O)N[C@@H](C)C(F)(F)F)C1=NN=N[N-]1	REAL300020235768	1	34	-1.0	-42.17	316.34	1.71	-40.46
C[C@H](NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020235769	0	37	-1.0	-45.14	296.57	3.52	-41.62
C[C@H](NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020235769	1	37	-1.0	-45.15	296.62	3.54	-41.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C(F)F	REAL300020235770	0	38	-1.0	-42.59	330.81	6.08	-36.51
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C(F)F	REAL300020235770	1	38	-1.0	-42.55	330.75	6.06	-36.49
O=C(NC1=CC=CC=C1C(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235771	0	38	-1.0	-43.24	310.97	5.60	-37.64
O=C(NC1=CC=CC=C1C(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235771	1	38	-1.0	-43.26	311.03	5.61	-37.65
O=C(NC1=CC=CC=C1C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020235772	0	35	-1.0	-54.33	295.93	4.62	-49.71
O=C(NC1=CC=CC=C1C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020235772	1	35	-1.0	-54.34	295.99	4.65	-49.69
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(F)F)C1=N[N-]N=N1	REAL300020235773	0	38	-1.0	-49.61	341.07	4.51	-45.10
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(F)F)C1=NN=N[N-]1	REAL300020235773	1	38	-1.0	-49.60	341.12	4.52	-45.08
O=C(NC1=CC=CC=C1C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020235774	0	35	-1.0	-43.61	297.29	4.70	-38.91
O=C(NC1=CC=CC=C1C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020235774	1	35	-1.0	-43.63	297.36	4.71	-38.92
O=C(NC1=CC=CC=C1C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020235775	0	41	-1.0	-51.84	321.35	6.45	-45.39
O=C(NC1=CC=CC=C1C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020235775	1	41	-1.0	-51.87	321.40	6.46	-45.41
CCOC(=O)CN1C=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020235776	0	43	-1.0	-55.00	379.35	7.90	-47.10
CCOC(=O)CN1C=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020235776	1	43	-1.0	-55.01	379.29	7.87	-47.14
CCOC(=O)CN1C=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235777	0	43	-1.0	-56.22	360.11	7.40	-48.82
CCOC(=O)CN1C=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235777	1	43	-1.0	-56.19	360.05	7.39	-48.80
CCOC(=O)CN1C=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020235778	0	40	-1.0	-67.27	344.70	6.53	-60.74
CCOC(=O)CN1C=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020235778	1	40	-1.0	-67.32	344.64	6.50	-60.82
CCOC(=O)CN1C=NC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020235779	0	43	-1.0	-60.87	388.31	6.48	-54.39
CCOC(=O)CN1C=NC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020235779	1	43	-1.0	-60.78	388.25	6.46	-54.32
CCOC(=O)CN1C=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020235780	0	40	-1.0	-56.17	346.23	6.58	-49.59
CCOC(=O)CN1C=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020235780	1	40	-1.0	-56.14	346.16	6.57	-49.57
CCOC(=O)CN1C=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020235781	0	46	-1.0	-62.68	368.37	8.28	-54.40
CCOC(=O)CN1C=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020235781	1	46	-1.0	-62.69	368.32	8.28	-54.41
O=C(NC1=CN(CC2=CC(F)=CC=C2Cl)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235782	0	42	-1.0	-58.09	372.91	5.50	-52.59
O=C(NC1=CN(CC2=CC(F)=CC=C2Cl)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235782	1	42	-1.0	-58.08	372.85	5.48	-52.60
O=C(NC1=CN(CC2=CC(F)=CC=C2Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235783	0	42	-1.0	-47.72	374.41	5.54	-42.18
O=C(NC1=CN(CC2=CC(F)=CC=C2Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235783	1	42	-1.0	-47.72	374.34	5.54	-42.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(C(F)(F)F)N=C1	REAL300020235784	0	36	-1.0	-42.91	333.74	3.14	-39.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(C(F)(F)F)N=C1	REAL300020235784	1	36	-1.0	-42.89	333.68	3.12	-39.77
O=C(NC1=CN=C(C(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235785	0	36	-1.0	-44.41	314.58	2.66	-41.75
O=C(NC1=CN=C(C(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235785	1	36	-1.0	-44.44	314.52	2.65	-41.79
O=C(NC1=CN=C(C(F)(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235786	0	33	-1.0	-52.60	299.07	1.80	-50.80
O=C(NC1=CN=C(C(F)(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235786	1	33	-1.0	-52.58	299.01	1.78	-50.80
CSCC[C@H](NC(=O)NC1=CN=C(C(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300020235787	0	36	-1.0	-46.27	342.59	1.75	-44.52
CSCC[C@H](NC(=O)NC1=CN=C(C(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300020235787	1	36	-1.0	-46.25	342.53	1.74	-44.51
O=C(NC1=CN=C(C(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235788	0	33	-1.0	-44.24	300.48	1.85	-42.39
O=C(NC1=CN=C(C(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235788	1	33	-1.0	-44.25	300.41	1.85	-42.40
O=C(NC1=CN=C(C(F)(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235789	0	39	-1.0	-36.35	327.48	2.82	-33.53
O=C(NC1=CN=C(C(F)(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235789	1	39	-1.0	-36.35	327.41	2.82	-33.53
CN1C=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC1=O	REAL300020235790	0	37	-1.0	-49.17	324.71	4.78	-44.39
CN1C=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC1=O	REAL300020235790	1	37	-1.0	-49.14	324.65	4.75	-44.39
CN1C=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC1=O	REAL300020235791	0	37	-1.0	-50.66	305.12	4.31	-46.35
CN1C=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC1=O	REAL300020235791	1	37	-1.0	-50.65	305.06	4.30	-46.35
CSCC[C@H](NC(=O)NC1=CC(=O)N(C)C=N1)C1=NN=N[N-]1	REAL300020235792	0	37	-1.0	-51.47	333.30	3.37	-48.10
CSCC[C@H](NC(=O)NC1=CC(=O)N(C)C=N1)C1=N[N-]N=N1	REAL300020235792	1	37	-1.0	-51.48	333.25	3.36	-48.12
CN1C=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020235793	0	40	-1.0	-51.33	313.97	5.17	-46.16
CN1C=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020235793	1	40	-1.0	-51.30	313.92	5.15	-46.15
CCN1N=C(C)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235794	0	40	-1.0	-55.34	344.82	6.60	-48.74
CCN1N=C(C)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235794	1	40	-1.0	-55.36	344.77	6.57	-48.79
CCN1N=C(C)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235795	0	40	-1.0	-49.17	325.55	6.10	-43.07
CCN1N=C(C)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235795	1	40	-1.0	-49.15	325.61	6.11	-43.04
CCN1N=C(C)N=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020235796	0	40	-1.0	-51.96	353.73	5.16	-46.80
CCN1N=C(C)N=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020235796	1	40	-1.0	-51.96	353.79	5.17	-46.79
CCN1N=C(C)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235797	0	43	-1.0	-56.53	334.11	7.09	-49.44
CCN1N=C(C)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235797	1	43	-1.0	-56.52	334.16	7.09	-49.43
CC(C1=CC=CC=C1)N1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020235798	0	48	-1.0	-45.83	400.94	6.69	-39.14
CC(C1=CC=CC=C1)N1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020235798	1	48	-1.0	-45.80	400.88	6.67	-39.13
CC(C1=CC=CC=C1)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020235799	0	48	-1.0	-47.16	381.71	6.22	-40.94
CC(C1=CC=CC=C1)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020235799	1	48	-1.0	-47.13	381.65	6.20	-40.93
CC(C1=CC=CC=C1)N1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020235800	0	45	-1.0	-58.85	366.31	5.30	-53.55
CC(C1=CC=CC=C1)N1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020235800	1	45	-1.0	-58.87	366.25	5.28	-53.59
CSCC[C@H](NC(=O)NC1=CN(C(C)C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020235801	0	48	-1.0	-51.24	409.93	5.27	-45.97
CSCC[C@H](NC(=O)NC1=CN(C(C)C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020235801	1	48	-1.0	-51.25	409.87	5.25	-46.00
CC(C1=CC=CC=C1)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020235802	0	45	-1.0	-48.18	367.79	5.34	-42.84
CC(C1=CC=CC=C1)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020235802	1	45	-1.0	-48.12	367.72	5.33	-42.79
CC(C1=CC=CC=C1)N1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020235803	0	51	-1.0	-55.11	389.76	7.10	-48.01
CC(C1=CC=CC=C1)N1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020235803	1	51	-1.0	-55.09	389.71	7.09	-48.00
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC(C)=CC=C1	REAL300020235804	0	48	-1.0	-46.41	401.47	7.11	-39.30
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC(C)=CC=C1	REAL300020235804	1	48	-1.0	-46.43	401.41	7.09	-39.34
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC(C)=CC=C1	REAL300020235805	0	48	-1.0	-48.71	381.04	6.59	-42.12
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC(C)=CC=C1	REAL300020235805	1	48	-1.0	-48.66	381.09	6.60	-42.06
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1	REAL300020235806	0	45	-1.0	-60.54	366.79	5.70	-54.84
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1	REAL300020235806	1	45	-1.0	-60.53	366.85	5.72	-54.81
CSCC[C@H](NC(=O)NC1=C(C)N(C2=CC=CC(C)=C2)N=C1)C1=N[N-]N=N1	REAL300020235807	0	48	-1.0	-52.24	409.18	5.63	-46.61
CSCC[C@H](NC(=O)NC1=C(C)N(C2=CC=CC(C)=C2)N=C1)C1=NN=N[N-]1	REAL300020235807	1	48	-1.0	-52.27	409.24	5.64	-46.63
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC(C)=CC=C1	REAL300020235808	0	45	-1.0	-48.81	368.25	5.75	-43.06
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC(C)=CC=C1	REAL300020235808	1	45	-1.0	-48.80	368.32	5.76	-43.04
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1	REAL300020235809	0	51	-1.0	-56.76	390.26	7.50	-49.26
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1	REAL300020235809	1	51	-1.0	-56.78	390.30	7.50	-49.28
CCC1(CC)CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)=N2	REAL300020235810	0	53	-1.0	-47.61	398.08	7.35	-40.26
CCC1(CC)CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)=N2	REAL300020235810	1	53	-1.0	-47.63	398.14	7.37	-40.26
CCC1(CC)CCC2=C(C1)SC(NC(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020235811	0	50	-1.0	-60.05	383.16	6.44	-53.61
CCC1(CC)CCC2=C(C1)SC(NC(=O)N1CCCC1C1=NN=N[N-]1)=N2	REAL300020235811	1	50	-1.0	-60.07	383.21	6.45	-53.62
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020235811	1	49	-2.0	-121.42	381.76	5.38	-116.04
CCC1(CC)CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020235812	0	50	-1.0	-48.19	384.60	6.50	-41.69
CCC1(CC)CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020235812	1	50	-1.0	-48.23	384.68	6.52	-41.71
O=C(NC1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235813	0	39	-1.0	-40.90	346.08	4.63	-36.27
O=C(NC1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235813	1	39	-1.0	-40.89	346.14	4.65	-36.24
O=C(NC1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235814	0	36	-1.0	-53.56	330.53	3.74	-49.82
O=C(NC1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235814	1	36	-1.0	-53.59	330.59	3.75	-49.84
O=C(NC1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235815	0	36	-1.0	-43.70	332.16	3.77	-39.93
O=C(NC1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235815	1	36	-1.0	-43.72	332.23	3.77	-39.95
O=C(NC(C1=CNC2=CC=CC(F)=C12)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020235816	0	42	-1.0	-62.38	362.08	4.61	-57.77
O=C(NC(C1=CNC2=CC=CC(F)=C12)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020235816	1	42	-1.0	-62.31	362.14	4.63	-57.68
O=C(NC(C1=CNC2=CC=CC(F)=C12)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020235817	0	42	-1.0	-52.01	365.73	4.73	-47.28
O=C(NC(C1=CNC2=CC=CC(F)=C12)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020235817	1	42	-1.0	-52.01	365.80	4.75	-47.26
O=C(NC1=CN=C(C2=CC=C(Cl)S2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235818	0	40	-1.0	-44.12	361.82	5.09	-39.03
O=C(NC1=CN=C(C2=CC=C(Cl)S2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235818	1	40	-1.0	-44.09	361.76	5.07	-39.02
O=C(NC1=CN=C(C2=CC=C(Cl)S2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235819	0	37	-1.0	-53.24	346.77	4.12	-49.12
O=C(NC1=CN=C(C2=CC=C(Cl)S2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235819	1	37	-1.0	-53.23	346.71	4.10	-49.13
O=C(NC1=CN=C(C2=CC=C(Cl)S2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235820	0	37	-1.0	-45.44	348.08	4.19	-41.25
O=C(NC1=CN=C(C2=CC=C(Cl)S2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235820	1	37	-1.0	-45.43	348.00	4.18	-41.25
CSC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235821	0	39	-1.0	-40.12	346.52	5.98	-34.14
CSC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235821	1	39	-1.0	-40.11	346.46	5.96	-34.15
CSC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235822	0	39	-1.0	-41.94	327.71	5.49	-36.45
CSC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235822	1	39	-1.0	-41.95	327.77	5.50	-36.45
CSC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235823	0	36	-1.0	-51.49	313.18	4.61	-46.88
CSC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235823	1	36	-1.0	-51.53	313.24	4.63	-46.90
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1SC)C1=N[N-]N=N1	REAL300020235824	0	39	-1.0	-44.85	356.72	4.58	-40.27
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1SC)C1=NN=N[N-]1	REAL300020235824	1	39	-1.0	-44.87	356.78	4.59	-40.28
CSC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235825	0	36	-1.0	-41.39	313.69	4.63	-36.76
CSC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235825	1	36	-1.0	-41.41	313.76	4.64	-36.77
CSC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235826	0	42	-1.0	-39.71	338.19	5.64	-34.07
CSC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235826	1	42	-1.0	-39.68	338.20	5.66	-34.02
O=C(NC1=CN=NN1C1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235827	0	41	-1.0	-43.43	353.88	5.69	-37.74
O=C(NC1=CN=NN1C1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235827	1	41	-1.0	-43.43	353.83	5.67	-37.76
O=C(NC1=CN=NN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235828	0	41	-1.0	-45.19	334.63	5.20	-39.99
O=C(NC1=CN=NN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235828	1	41	-1.0	-45.23	334.57	5.19	-40.04
O=C(NC1=CN=NN1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235829	0	38	-1.0	-54.38	319.25	4.30	-50.08
O=C(NC1=CN=NN1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235829	1	38	-1.0	-54.37	319.19	4.27	-50.10
CSCC[C@H](NC(=O)NC1=CN=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020235830	0	41	-1.0	-47.06	362.87	4.27	-42.79
CSCC[C@H](NC(=O)NC1=CN=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020235830	1	41	-1.0	-47.04	362.81	4.25	-42.79
O=C(NC1=CN=NN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235831	0	38	-1.0	-44.91	320.74	4.33	-40.58
O=C(NC1=CN=NN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235831	1	38	-1.0	-44.88	320.67	4.32	-40.56
O=C(NC1=CN=NN1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235832	0	44	-1.0	-52.90	343.26	6.19	-46.71
O=C(NC1=CN=NN1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235832	1	44	-1.0	-52.90	343.20	6.19	-46.71
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1C	REAL300020235833	0	41	-1.0	-50.51	352.49	6.55	-43.96
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1C	REAL300020235833	1	41	-1.0	-50.53	352.43	6.52	-44.01
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1C	REAL300020235834	0	41	-1.0	-42.29	333.72	6.05	-36.24
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1C	REAL300020235834	1	41	-1.0	-42.30	333.78	6.06	-36.24
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1C	REAL300020235835	0	38	-1.0	-51.52	318.29	5.14	-46.38
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1C	REAL300020235835	1	38	-1.0	-51.49	318.35	5.15	-46.34
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C)=C1Cl)C1=N[N-]N=N1	REAL300020235836	0	41	-1.0	-45.49	361.81	5.10	-40.39
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C)=C1Cl)C1=NN=N[N-]1	REAL300020235836	1	41	-1.0	-45.44	361.87	5.11	-40.33
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1C	REAL300020235837	0	38	-1.0	-41.76	319.65	5.20	-36.56
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1C	REAL300020235837	1	38	-1.0	-41.75	319.73	5.20	-36.55
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1C	REAL300020235838	0	44	-1.0	-42.28	344.61	6.20	-36.08
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1C	REAL300020235838	1	44	-1.0	-42.29	344.62	6.21	-36.08
CN1N=NC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020235839	0	40	-1.0	-57.06	345.98	3.43	-53.63
CN1N=NC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020235839	1	40	-1.0	-57.08	345.92	3.41	-53.67
CN1N=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020235840	0	40	-1.0	-46.18	327.37	2.88	-43.30
CN1N=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020235840	1	40	-1.0	-46.15	327.32	2.86	-43.29
CN1N=NC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020235841	0	37	-1.0	-54.12	311.96	1.97	-52.15
CN1N=NC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020235841	1	37	-1.0	-54.15	311.90	1.95	-52.20
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)N=NN2C)C1=NN=N[N-]1	REAL300020235842	0	40	-1.0	-56.49	355.50	1.93	-54.56
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)N=NN2C)C1=N[N-]N=N1	REAL300020235842	1	40	-1.0	-56.51	355.44	1.92	-54.59
CN1N=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020235843	0	37	-1.0	-45.98	313.32	2.03	-43.95
CN1N=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020235843	1	37	-1.0	-45.93	313.25	2.01	-43.92
CN1N=NC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020235844	0	43	-1.0	-47.72	333.59	3.79	-43.93
CN1N=NC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020235844	1	43	-1.0	-47.77	333.55	3.77	-44.00
N#CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020235845	0	35	-1.0	-51.95	320.31	4.78	-47.17
N#CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020235845	1	35	-1.0	-51.97	320.26	4.76	-47.21
CSCC[C@H](NC(=O)NC1=CC=CC(C#N)=N1)C1=NN=N[N-]1	REAL300020235846	0	35	-1.0	-58.72	329.34	3.35	-55.37
CSCC[C@H](NC(=O)NC1=CC=CC(C#N)=N1)C1=N[N-]N=N1	REAL300020235846	1	35	-1.0	-58.73	329.29	3.34	-55.39
N#CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020235847	0	38	-1.0	-44.06	314.10	3.89	-40.17
N#CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020235847	1	38	-1.0	-44.08	314.05	3.87	-40.21
CC1=CN=NN1C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020235848	0	44	-1.0	-64.73	374.68	5.12	-59.61
CC1=CN=NN1C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020235848	1	44	-1.0	-64.68	374.62	5.10	-59.58
CC1=CN=NN1C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020235849	0	44	-1.0	-47.86	354.24	4.70	-43.16
CC1=CN=NN1C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020235849	1	44	-1.0	-47.92	354.30	4.71	-43.21
CC1=CN=NN1C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020235850	0	41	-1.0	-60.53	340.17	3.73	-56.80
CC1=CN=NN1C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020235850	1	41	-1.0	-60.50	340.23	3.75	-56.75
CSCC[C@H](NC(=O)NC1=CC=C(N2N=NC=C2C)C=C1)C1=N[N-]N=N1	REAL300020235851	0	44	-1.0	-56.54	383.70	3.69	-52.85
CSCC[C@H](NC(=O)NC1=CC=C(N2N=NC=C2C)C=C1)C1=NN=N[N-]1	REAL300020235851	1	44	-1.0	-56.55	383.76	3.71	-52.84
CC1=CN=NN1C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020235852	0	41	-1.0	-46.19	341.54	3.79	-42.40
CC1=CN=NN1C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020235852	1	41	-1.0	-46.22	341.62	3.79	-42.43
CC1=CN=NN1C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020235853	0	47	-1.0	-49.01	360.99	5.60	-43.41
CC1=CN=NN1C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020235853	1	47	-1.0	-49.04	361.04	5.62	-43.42
O=C(NC1=CC=C2N=C(C(F)(F)F)OC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235854	0	40	-1.0	-42.32	347.26	2.42	-39.90
O=C(NC1=CC=C2N=C(C(F)(F)F)OC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235854	1	40	-1.0	-42.31	347.21	2.41	-39.90
O=C(NC1=CC=C2N=C(C(F)(F)F)OC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235855	0	37	-1.0	-50.43	331.70	1.52	-48.91
O=C(NC1=CC=C2N=C(C(F)(F)F)OC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235855	1	37	-1.0	-50.44	331.64	1.49	-48.95
O=C(NC1=CC=C2N=C(C(F)(F)F)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235856	0	37	-1.0	-47.15	333.24	1.57	-45.58
O=C(NC1=CC=C2N=C(C(F)(F)F)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235856	1	37	-1.0	-47.15	333.16	1.56	-45.59
O=C(NC1=CC=C2N=C(C(F)(F)F)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235857	0	43	-1.0	-45.86	353.48	3.32	-42.54
O=C(NC1=CC=C2N=C(C(F)(F)F)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235857	1	43	-1.0	-45.85	353.45	3.31	-42.54
CCC1=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2S1	REAL300020235858	0	43	-1.0	-48.03	377.92	5.76	-42.27
CCC1=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2S1	REAL300020235858	1	43	-1.0	-47.96	377.86	5.74	-42.22
CCC1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2S1	REAL300020235859	0	43	-1.0	-45.62	359.14	5.23	-40.39
CCC1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2S1	REAL300020235859	1	43	-1.0	-45.69	359.20	5.24	-40.45
CCC1=NC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2S1	REAL300020235860	0	40	-1.0	-58.84	343.58	4.33	-54.51
CCC1=NC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2S1	REAL300020235860	1	40	-1.0	-58.92	343.63	4.35	-54.57
CCC1=NC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2S1	REAL300020235861	0	43	-1.0	-48.91	387.37	4.27	-44.64
CCC1=NC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2S1	REAL300020235861	1	43	-1.0	-48.93	387.43	4.28	-44.65
CCC1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2S1	REAL300020235862	0	40	-1.0	-47.25	344.93	4.38	-42.87
CCC1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2S1	REAL300020235862	1	40	-1.0	-47.27	345.01	4.40	-42.87
CCC1=NC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2S1	REAL300020235863	0	46	-1.0	-42.57	371.55	5.37	-37.20
CCC1=NC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2S1	REAL300020235863	1	46	-1.0	-42.61	371.60	5.38	-37.23
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN=C1F	REAL300020235864	0	34	-1.0	-45.98	302.92	3.05	-42.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN=C1F	REAL300020235864	1	34	-1.0	-45.99	302.86	3.02	-42.97
CSCC[C@H](NC(=O)NC1=CC=CN=C1F)C1=NN=N[N-]1	REAL300020235865	0	34	-1.0	-43.97	312.89	1.61	-42.36
CSCC[C@H](NC(=O)NC1=CC=CN=C1F)C1=N[N-]N=N1	REAL300020235865	1	34	-1.0	-43.95	312.83	1.60	-42.35
O=C(NC1=CC=CN=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020235866	0	37	-1.0	-44.50	290.71	3.41	-41.09
O=C(NC1=CC=CN=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020235866	1	37	-1.0	-44.49	290.67	3.40	-41.09
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=CC=CC=C2N=N1	REAL300020235867	0	39	-1.0	-52.07	340.74	5.33	-46.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=CC=CC=C2N=N1	REAL300020235867	1	39	-1.0	-52.09	340.68	5.31	-46.78
O=C(NC1=CC2=CC=CC=C2N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235868	0	39	-1.0	-46.06	318.85	4.49	-41.57
O=C(NC1=CC2=CC=CC=C2N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235868	1	39	-1.0	-46.02	318.79	4.47	-41.55
O=C(NC1=CC2=CC=CC=C2N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020235869	0	36	-1.0	-68.03	306.22	3.95	-64.08
O=C(NC1=CC2=CC=CC=C2N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020235869	1	36	-1.0	-68.06	306.16	3.92	-64.14
CSCC[C@H](NC(=O)NC1=CC2=CC=CC=C2N=N1)C1=NN=N[N-]1	REAL300020235870	0	39	-1.0	-59.32	349.74	3.91	-55.41
CSCC[C@H](NC(=O)NC1=CC2=CC=CC=C2N=N1)C1=N[N-]N=N1	REAL300020235870	1	39	-1.0	-59.38	349.68	3.89	-55.49
O=C(NC1=CC2=CC=CC=C2N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235871	0	36	-1.0	-55.73	307.59	4.00	-51.73
O=C(NC1=CC2=CC=CC=C2N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235871	1	36	-1.0	-55.75	307.51	3.99	-51.76
O=C(NC1=CC2=CC=CC=C2N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235872	0	42	-1.0	-48.47	326.42	5.39	-43.08
O=C(NC1=CC2=CC=CC=C2N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235872	1	42	-1.0	-48.46	326.37	5.37	-43.09
O=C(NC1=NN(CC(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235873	0	38	-1.0	-52.89	345.06	5.16	-47.73
O=C(NC1=NN(CC(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235873	1	38	-1.0	-52.85	345.00	5.14	-47.71
O=C(NC1=NN(CC(F)(F)F)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020235874	0	35	-1.0	-64.83	329.56	4.22	-60.61
O=C(NC1=NN(CC(F)(F)F)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020235874	1	35	-1.0	-64.80	329.50	4.22	-60.58
CSCC[C@H](NC(=O)NC1=NN(CC(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL300020235875	0	38	-1.0	-55.58	373.21	4.20	-51.38
CSCC[C@H](NC(=O)NC1=NN(CC(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL300020235875	1	38	-1.0	-55.57	373.15	4.19	-51.38
O=C(NC1=NN(CC(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020235876	0	35	-1.0	-52.98	331.07	4.30	-48.68
O=C(NC1=NN(CC(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020235876	1	35	-1.0	-52.94	330.99	4.28	-48.66
O=C(NC1=NN(CC(F)(F)F)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020235877	0	41	-1.0	-57.15	353.26	6.01	-51.14
O=C(NC1=NN(CC(F)(F)F)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020235877	1	41	-1.0	-57.18	353.21	6.01	-51.17
CC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020235878	0	38	-1.0	-42.26	342.01	4.23	-38.03
CC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Cl	REAL300020235878	1	38	-1.0	-42.28	341.95	4.20	-38.08
CC1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020235879	0	38	-1.0	-41.65	322.15	3.75	-37.90
CC1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020235879	1	38	-1.0	-41.66	322.20	3.76	-37.90
CC1=NN(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL300020235880	0	35	-1.0	-48.95	303.57	2.78	-46.17
CC1=NN(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL300020235880	1	35	-1.0	-48.98	303.63	2.81	-46.17
CSCC[C@H](NC(=O)NC1=C(Cl)C(C)=NN1C)C1=N[N-]N=N1	REAL300020235881	0	38	-1.0	-45.46	351.15	2.74	-42.72
CSCC[C@H](NC(=O)NC1=C(Cl)C(C)=NN1C)C1=NN=N[N-]1	REAL300020235881	1	38	-1.0	-45.46	351.21	2.76	-42.70
CC1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020235882	0	35	-1.0	-40.39	304.88	2.84	-37.55
CC1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020235882	1	35	-1.0	-40.40	304.96	2.85	-37.55
CC1=NN(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020235883	0	41	-1.0	-39.68	336.77	5.19	-34.49
CC1=NN(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020235883	1	41	-1.0	-39.54	336.74	5.21	-34.33
CCOC(=O)CC1=C(C)SC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235884	0	46	-1.0	-46.49	387.84	5.46	-41.03
CCOC(=O)CC1=C(C)SC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235884	1	46	-1.0	-46.48	387.90	5.48	-41.00
CCOC(=O)CC1=C(C)SC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020235885	0	43	-1.0	-55.77	372.36	4.55	-51.22
CCOC(=O)CC1=C(C)SC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020235885	1	43	-1.0	-55.79	372.42	4.56	-51.23
CCOC(=O)CC1=C(C)SC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020235886	0	46	-1.0	-49.72	415.31	4.49	-45.23
CCOC(=O)CC1=C(C)SC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020235886	1	46	-1.0	-49.68	415.37	4.51	-45.17
CCOC(=O)CC1=C(C)SC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020235887	0	43	-1.0	-45.57	373.83	4.59	-40.98
CCOC(=O)CC1=C(C)SC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020235887	1	43	-1.0	-45.57	373.90	4.61	-40.96
CCOC(=O)CC1=C(C)SC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020235888	0	49	-1.0	-52.58	394.81	6.26	-46.32
CCOC(=O)CC1=C(C)SC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020235888	1	49	-1.0	-52.61	394.84	6.28	-46.33
CC(C)CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235889	0	51	-1.0	-41.59	413.14	7.24	-34.35
CC(C)CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235889	1	51	-1.0	-41.56	413.08	7.21	-34.35
CC(C)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235890	0	51	-1.0	-43.51	394.35	6.75	-36.76
CC(C)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235890	1	51	-1.0	-43.55	394.40	6.77	-36.78
CC(C)CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020235891	0	48	-1.0	-54.42	379.72	5.81	-48.61
CC(C)CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020235891	1	48	-1.0	-54.44	379.78	5.83	-48.61
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCCC(C)C)C1=N[N-]N=N1	REAL300020235892	0	51	-1.0	-47.31	422.44	5.79	-41.52
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCCC(C)C)C1=NN=N[N-]1	REAL300020235892	1	51	-1.0	-47.31	422.50	5.80	-41.51
CC(C)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020235893	0	48	-1.0	-43.20	380.28	5.90	-37.30
CC(C)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020235893	1	48	-1.0	-43.23	380.36	5.90	-37.33
CC(C)CCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020235894	0	54	-1.0	-44.18	406.59	6.98	-37.20
CC(C)CCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020235894	1	54	-1.0	-44.16	406.65	6.99	-37.17
CN1C(=O)NC(C)(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C1=O	REAL300020235895	0	50	-1.0	-46.92	400.08	3.38	-43.54
CN1C(=O)NC(C)(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C1=O	REAL300020235895	1	50	-1.0	-46.94	400.14	3.40	-43.54
CN1C(=O)NC(C)(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C1=O	REAL300020235896	0	47	-1.0	-56.67	384.36	2.48	-54.19
CN1C(=O)NC(C)(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C1=O	REAL300020235896	1	47	-1.0	-56.66	384.42	2.50	-54.16
CN1C(=O)NC(C)(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C1=O	REAL300020235897	0	47	-1.0	-47.53	385.96	2.52	-45.01
CN1C(=O)NC(C)(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C1=O	REAL300020235897	1	47	-1.0	-47.56	386.04	2.53	-45.03
CC(C)(C)OC(=O)C1=CN=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020235898	0	49	-1.0	-46.35	408.05	5.68	-40.67
CC(C)(C)OC(=O)C1=CN=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020235898	1	49	-1.0	-46.31	407.99	5.65	-40.66
CC(C)(C)OC(=O)C1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020235899	0	49	-1.0	-46.81	388.69	5.26	-41.55
CC(C)(C)OC(=O)C1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020235899	1	49	-1.0	-46.77	388.64	5.24	-41.53
CC(C)(C)OC(=O)C1=CN=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020235900	0	46	-1.0	-58.16	373.18	4.35	-53.81
CC(C)(C)OC(=O)C1=CN=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020235900	1	46	-1.0	-58.13	373.13	4.33	-53.80
CSCC[C@H](NC(=O)NC1=CN=CC(C(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020235901	0	49	-1.0	-54.00	416.86	4.30	-49.70
CSCC[C@H](NC(=O)NC1=CN=CC(C(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020235901	1	49	-1.0	-53.99	416.80	4.29	-49.70
CC(C)(C)OC(=O)C1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020235902	0	46	-1.0	-48.77	374.98	4.37	-44.40
CC(C)(C)OC(=O)C1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020235902	1	46	-1.0	-48.71	374.90	4.37	-44.34
CC(C)(C)OC(=O)C1=CN=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020235903	0	52	-1.0	-42.64	401.57	5.39	-37.25
CC(C)(C)OC(=O)C1=CN=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020235903	1	52	-1.0	-42.63	401.53	5.39	-37.24
CC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C	REAL300020235904	0	43	-1.0	-49.25	359.45	5.93	-43.32
CC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C	REAL300020235904	1	43	-1.0	-49.27	359.40	5.90	-43.37
CC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C	REAL300020235905	0	43	-1.0	-45.48	341.65	5.39	-40.09
CC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C	REAL300020235905	1	43	-1.0	-45.50	341.71	5.41	-40.09
CC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020235906	0	40	-1.0	-51.94	325.98	4.46	-47.48
CC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020235906	1	40	-1.0	-51.93	326.04	4.48	-47.45
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C(C)=O)=C1)C1=N[N-]N=N1	REAL300020235907	0	43	-1.0	-46.05	368.39	4.43	-41.62
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C(C)=O)=C1)C1=NN=N[N-]1	REAL300020235907	1	43	-1.0	-46.08	368.44	4.45	-41.63
CC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020235908	0	40	-1.0	-44.12	328.92	4.58	-39.54
CC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020235908	1	40	-1.0	-44.12	329.00	4.58	-39.54
CC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020235909	0	46	-1.0	-41.80	354.18	5.59	-36.21
CC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020235909	1	46	-1.0	-41.77	354.23	5.60	-36.17
COC1=C2SC([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NC2=CC=C1	REAL300020235910	0	40	-2.0	-96.36	363.21	3.89	-92.47
COC1=C2SC([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NC2=CC=C1	REAL300020235910	1	40	-2.0	-96.34	363.15	3.87	-92.47
COC1=C2SC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NC2=CC=C1	REAL300020235910	1	41	-1.0	-47.93	366.46	5.08	-42.85
COC1=C2SC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NC2=CC=C1	REAL300020235910	1	41	-1.0	-47.92	366.40	5.05	-42.87
COC1=C2SC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC2=CC=C1	REAL300020235911	0	41	-1.0	-50.23	347.29	4.61	-45.62
COC1=C2SC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC2=CC=C1	REAL300020235911	1	41	-1.0	-50.24	347.23	4.59	-45.65
COC1=C2SC(NC(=O)N3CCCC3C3=NN=N[N-]3)=NC2=CC=C1	REAL300020235912	0	38	-1.0	-61.62	331.83	3.68	-57.94
COC1=C2SC(NC(=O)N3CCCC3C3=N[N-]N=N3)=NC2=CC=C1	REAL300020235912	1	38	-1.0	-61.64	331.77	3.66	-57.98
COC1=C2SC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=CC=C1	REAL300020235912	1	37	-2.0	-121.96	330.36	2.64	-119.32
COC1=C2SC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=CC=C1	REAL300020235912	1	37	-2.0	-121.97	330.41	2.65	-119.32
COC1=C2SC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=NC2=CC=C1	REAL300020235913	0	41	-1.0	-53.93	375.44	3.65	-50.28
COC1=C2SC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=NC2=CC=C1	REAL300020235913	1	41	-1.0	-53.93	375.38	3.64	-50.29
COC1=C2SC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=CC=C1	REAL300020235914	0	38	-1.0	-50.37	333.30	3.75	-46.62
COC1=C2SC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=CC=C1	REAL300020235914	1	38	-1.0	-50.37	333.22	3.74	-46.63
COC1=C2SC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=NC2=CC=C1	REAL300020235915	0	44	-1.0	-57.48	355.74	5.47	-52.01
COC1=C2SC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=NC2=CC=C1	REAL300020235915	1	44	-1.0	-57.52	355.69	5.45	-52.07
CC(C)(C)OC(=O)NCC(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020235916	0	48	-1.0	-49.91	395.98	1.64	-48.27
CC(C)(C)OC(=O)NCC(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020235916	1	48	-1.0	-49.96	396.04	1.67	-48.29
CC(C)(C)OC(=O)NCC(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020235917	0	48	-1.0	-44.31	397.43	1.73	-42.58
CC(C)(C)OC(=O)NCC(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020235917	1	48	-1.0	-44.26	397.51	1.73	-42.53
CC1=CC=C(C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)(F)F)O1	REAL300020235918	0	41	-1.0	-44.99	367.52	4.97	-40.02
CC1=CC=C(C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)(F)F)O1	REAL300020235918	1	41	-1.0	-44.98	367.57	5.00	-39.98
CC1=CC=C(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)(F)F)O1	REAL300020235919	0	41	-1.0	-44.43	348.34	4.51	-39.92
CC1=CC=C(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)(F)F)O1	REAL300020235919	1	41	-1.0	-44.43	348.40	4.52	-39.91
CC1=CC=C(C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)(F)F)O1	REAL300020235920	0	38	-1.0	-50.82	333.17	3.56	-47.26
CC1=CC=C(C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)(F)F)O1	REAL300020235920	1	38	-1.0	-50.82	333.22	3.57	-47.25
CSCC[C@H](NC(=O)NC(C1=CC=C(C)O1)C(F)(F)F)C1=N[N-]N=N1	REAL300020235921	0	41	-1.0	-44.62	376.77	3.52	-41.10
CSCC[C@H](NC(=O)NC(C1=CC=C(C)O1)C(F)(F)F)C1=NN=N[N-]1	REAL300020235921	1	41	-1.0	-44.63	376.83	3.53	-41.10
CC1=CC=C(C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)(F)F)O1	REAL300020235922	0	38	-1.0	-43.07	334.63	3.64	-39.43
CC1=CC=C(C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)(F)F)O1	REAL300020235922	1	38	-1.0	-43.10	334.71	3.64	-39.46
CC1=CC=C(C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)(F)F)O1	REAL300020235923	0	44	-1.0	-47.30	356.70	5.41	-41.89
CC1=CC=C(C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)(F)F)O1	REAL300020235923	1	44	-1.0	-47.34	356.76	5.42	-41.92
CC1(C)CCC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2O1	REAL300020235924	0	49	-1.0	-57.63	393.94	6.57	-51.06
CC1(C)CCC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2O1	REAL300020235924	1	49	-1.0	-57.62	393.88	6.54	-51.08
CC1(C)CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020235925	0	49	-1.0	-44.40	374.54	6.12	-38.28
CC1(C)CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020235925	1	49	-1.0	-44.45	374.60	6.14	-38.31
CC1(C)CCC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020235926	0	46	-1.0	-55.69	359.42	5.18	-50.51
CC1(C)CCC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020235926	1	46	-1.0	-55.71	359.48	5.18	-50.53
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)(C)CCC2=C1)C1=N[N-]N=N1	REAL300020235927	0	49	-1.0	-51.21	402.94	5.14	-46.07
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)(C)CCC2=C1)C1=NN=N[N-]1	REAL300020235927	1	49	-1.0	-51.20	403.00	5.15	-46.05
CC1(C)CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020235928	0	46	-1.0	-46.17	360.77	5.23	-40.94
CC1(C)CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020235928	1	46	-1.0	-46.22	360.85	5.25	-40.97
CC1(C)CCC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020235929	0	52	-1.0	-43.43	387.25	6.28	-37.15
CC1(C)CCC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020235929	1	52	-1.0	-43.46	387.30	6.28	-37.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(CC1CCCO1)C(F)(F)F	REAL300020235930	0	45	-1.0	-45.56	379.49	4.85	-40.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(CC1CCCO1)C(F)(F)F	REAL300020235930	1	45	-1.0	-45.57	379.55	4.87	-40.70
O=C(NC(CC1CCCO1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235931	0	45	-1.0	-46.31	362.19	3.83	-42.48
O=C(NC(CC1CCCO1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235931	1	45	-1.0	-46.31	362.25	3.85	-42.46
O=C(NC(CC1CCCO1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020235932	0	42	-1.0	-56.75	347.07	2.91	-53.84
O=C(NC(CC1CCCO1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020235932	1	42	-1.0	-56.76	347.13	2.92	-53.84
CSCC[C@H](NC(=O)NC(CC1CCCO1)C(F)(F)F)C1=N[N-]N=N1	REAL300020235933	0	45	-1.0	-50.61	390.70	2.87	-47.74
CSCC[C@H](NC(=O)NC(CC1CCCO1)C(F)(F)F)C1=NN=N[N-]1	REAL300020235933	1	45	-1.0	-50.64	390.76	2.89	-47.75
O=C(NC(CC1CCCO1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020235934	0	42	-1.0	-45.99	348.48	2.95	-43.04
O=C(NC(CC1CCCO1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020235934	1	42	-1.0	-46.00	348.55	2.95	-43.05
O=C(NC(CC1CCCO1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020235935	0	48	-1.0	-53.28	370.70	4.72	-48.56
O=C(NC(CC1CCCO1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020235935	1	48	-1.0	-53.29	370.76	4.73	-48.56
CC(C)N1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020235936	0	41	-1.0	-45.41	345.55	3.92	-41.49
CC(C)N1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020235936	1	41	-1.0	-45.39	345.50	3.90	-41.49
CC(C)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020235937	0	41	-1.0	-46.74	326.37	3.46	-43.28
CC(C)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020235937	1	41	-1.0	-46.71	326.31	3.45	-43.26
CSCC[C@H](NC(=O)NC1=CN(C(C)C)N=C1)C1=NN=N[N-]1	REAL300020235938	0	41	-1.0	-51.05	354.53	2.51	-48.54
CSCC[C@H](NC(=O)NC1=CN(C(C)C)N=C1)C1=N[N-]N=N1	REAL300020235938	1	41	-1.0	-51.08	354.47	2.49	-48.59
CC(C)N1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020235939	0	44	-1.0	-54.75	334.36	4.34	-50.41
CC(C)N1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020235939	1	44	-1.0	-54.77	334.32	4.33	-50.44
CCOC(=O)CN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020235940	0	44	-1.0	-50.62	381.80	5.53	-45.09
CCOC(=O)CN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020235940	1	44	-1.0	-50.60	381.74	5.50	-45.10
CCOC(=O)CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235941	0	44	-1.0	-51.91	362.62	5.05	-46.86
CCOC(=O)CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235941	1	44	-1.0	-51.90	362.56	5.04	-46.86
CCOC(=O)CN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020235942	0	41	-1.0	-60.18	347.15	4.15	-56.03
CCOC(=O)CN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020235942	1	41	-1.0	-60.14	347.09	4.13	-56.01
CCOC(=O)CN1C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020235943	0	44	-1.0	-55.59	390.76	4.10	-51.49
CCOC(=O)CN1C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020235943	1	44	-1.0	-55.60	390.71	4.09	-51.51
CCOC(=O)CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020235944	0	41	-1.0	-51.10	348.62	4.18	-46.92
CCOC(=O)CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020235944	1	41	-1.0	-51.09	348.54	4.17	-46.92
CCOC(=O)CN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020235945	0	47	-1.0	-55.21	370.57	5.92	-49.29
CCOC(=O)CN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020235945	1	47	-1.0	-55.19	370.53	5.92	-49.27
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020235946	0	38	-1.0	-52.80	338.61	5.90	-46.90
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020235946	1	38	-1.0	-52.76	338.55	5.87	-46.89
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020235947	0	38	-1.0	-42.48	319.68	5.37	-37.11
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020235947	1	38	-1.0	-42.50	319.74	5.38	-37.12
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020235948	0	35	-1.0	-51.29	304.21	4.47	-46.82
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020235948	1	35	-1.0	-51.31	304.27	4.48	-46.83
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300020235949	0	38	-1.0	-46.82	347.73	4.43	-42.39
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300020235949	1	38	-1.0	-46.82	347.79	4.44	-42.38
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020235950	0	35	-1.0	-42.99	305.58	4.53	-38.46
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020235950	1	35	-1.0	-43.02	305.66	4.54	-38.48
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020235951	0	41	-1.0	-38.78	333.99	5.57	-33.21
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020235951	1	41	-1.0	-38.78	334.04	5.59	-33.19
CC(C)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020235952	0	51	-1.0	-60.54	421.40	7.13	-53.41
CC(C)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020235952	1	51	-1.0	-60.51	421.46	7.15	-53.36
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020235953	0	51	-1.0	-47.87	402.20	6.68	-41.19
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020235953	1	51	-1.0	-47.93	402.26	6.69	-41.24
CC(C)CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020235954	0	48	-1.0	-60.90	386.62	5.79	-55.11
CC(C)CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020235954	1	48	-1.0	-60.93	386.68	5.80	-55.13
CSCC[C@H](NC(=O)NC1=CC=C(OCCC(C)C)C(F)=C1)C1=N[N-]N=N1	REAL300020235955	0	51	-1.0	-44.87	430.17	5.75	-39.12
CSCC[C@H](NC(=O)NC1=CC=C(OCCC(C)C)C(F)=C1)C1=NN=N[N-]1	REAL300020235955	1	51	-1.0	-44.86	430.22	5.76	-39.10
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020235956	0	48	-1.0	-48.37	388.03	5.85	-42.52
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020235956	1	48	-1.0	-48.36	388.11	5.85	-42.51
CC(C)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020235957	0	54	-1.0	-41.07	416.69	6.87	-34.20
CC(C)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020235957	1	54	-1.0	-41.03	416.74	6.89	-34.14
O=C([N-]C1=NN=C(C2CC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235958	0	36	-2.0	-105.86	334.68	3.34	-102.52
O=C([N-]C1=NN=C(C2CC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235958	1	36	-2.0	-105.87	334.62	3.32	-102.55
O=C([N-]C1=NN=C(C2CC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235959	0	36	-2.0	-95.91	317.61	3.20	-92.71
O=C([N-]C1=NN=C(C2CC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235959	1	36	-2.0	-95.91	317.67	3.21	-92.70
O=C([N-]C1=NN=C(C2CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020235960	0	33	-2.0	-119.81	301.83	2.08	-117.73
O=C([N-]C1=NN=C(C2CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020235960	1	33	-2.0	-119.77	301.88	2.11	-117.66
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2CC2)S1)C1=N[N-]N=N1	REAL300020235961	0	36	-2.0	-109.13	343.59	1.90	-107.23
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2CC2)S1)C1=NN=N[N-]1	REAL300020235961	1	36	-2.0	-109.18	343.65	1.92	-107.26
O=C([N-]C1=NN=C(C2CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235962	0	33	-2.0	-97.68	302.61	2.14	-95.54
O=C([N-]C1=NN=C(C2CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235962	1	33	-2.0	-97.70	302.68	2.16	-95.54
O=C([N-]C1=NN=C(C2CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235963	0	39	-2.0	-116.96	326.15	4.06	-112.90
O=C([N-]C1=NN=C(C2CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235963	1	39	-2.0	-116.95	326.20	4.08	-112.87
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=NC=C2NC=CC2=C1	REAL300020235964	0	38	-1.0	-56.49	330.55	4.57	-51.92
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=NC=C2NC=CC2=C1	REAL300020235964	1	38	-1.0	-56.45	330.49	4.55	-51.90
O=C(NC1=NC=C2NC=CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235965	0	38	-1.0	-50.65	311.59	4.04	-46.61
O=C(NC1=NC=C2NC=CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235965	1	38	-1.0	-50.70	311.64	4.06	-46.64
CSCC[C@H](NC(=O)NC1=NC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL300020235966	0	38	-1.0	-54.99	339.72	3.10	-51.89
CSCC[C@H](NC(=O)NC1=NC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL300020235966	1	38	-1.0	-55.00	339.77	3.11	-51.89
O=C(NC1=NC=C2NC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235967	0	41	-1.0	-57.23	319.74	4.91	-52.32
O=C(NC1=NC=C2NC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235967	1	41	-1.0	-57.22	319.79	4.92	-52.30
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(Cl)=C1OC	REAL300020235968	0	43	-1.0	-47.06	381.50	4.64	-42.42
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(Cl)=C1OC	REAL300020235968	1	43	-1.0	-47.09	381.56	4.67	-42.42
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(Cl)=C1OC	REAL300020235969	0	43	-1.0	-45.81	362.76	4.13	-41.68
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(Cl)=C1OC	REAL300020235969	1	43	-1.0	-45.77	362.81	4.14	-41.63
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(Cl)=C1OC	REAL300020235970	0	40	-1.0	-56.68	347.18	3.24	-53.44
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020235970	1	40	-1.0	-56.68	347.24	3.25	-53.43
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(Cl)=C1OC	REAL300020235971	0	43	-1.0	-49.52	390.72	3.20	-46.32
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020235971	1	43	-1.0	-49.52	390.78	3.22	-46.30
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OC	REAL300020235972	0	40	-1.0	-45.47	348.57	3.30	-42.17
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OC	REAL300020235972	1	40	-1.0	-45.51	348.65	3.30	-42.21
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Cl)=C1OC	REAL300020235973	0	46	-1.0	-40.63	375.26	4.30	-36.33
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020235973	1	46	-1.0	-40.61	375.29	4.31	-36.30
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020235974	0	41	-1.0	-58.11	370.58	5.78	-52.33
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020235974	1	41	-1.0	-58.14	370.64	5.81	-52.33
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020235975	0	41	-1.0	-43.04	350.06	5.38	-37.66
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020235975	1	41	-1.0	-43.02	350.12	5.39	-37.63
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020235976	0	38	-1.0	-57.81	335.83	4.44	-53.37
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020235976	1	38	-1.0	-57.83	335.89	4.46	-53.37
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Cl	REAL300020235977	0	41	-1.0	-48.50	379.64	4.38	-44.12
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Cl	REAL300020235977	1	41	-1.0	-48.58	379.69	4.39	-44.19
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020235978	0	38	-1.0	-47.63	337.21	4.50	-43.13
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020235978	1	38	-1.0	-47.69	337.28	4.51	-43.18
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020235979	0	44	-1.0	-39.46	363.87	5.52	-33.94
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020235979	1	44	-1.0	-39.50	363.91	5.52	-33.98
CC(C)(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020235980	0	37	-1.0	-38.35	319.21	3.48	-34.87
CC(C)(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020235980	1	37	-1.0	-38.34	319.16	3.46	-34.88
CC(C)(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020235981	0	37	-1.0	-39.14	299.96	3.00	-36.14
CC(C)(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020235981	1	37	-1.0	-39.17	300.02	3.01	-36.16
CSCC[C@H](NC(=O)NC(C)(C)C(F)(F)F)C1=N[N-]N=N1	REAL300020235982	0	37	-1.0	-41.55	328.14	2.04	-39.51
CSCC[C@H](NC(=O)NC(C)(C)C(F)(F)F)C1=NN=N[N-]1	REAL300020235982	1	37	-1.0	-41.53	328.20	2.06	-39.47
CC(C)(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020235983	0	40	-1.0	-42.05	305.93	3.98	-38.07
CC(C)(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020235983	1	40	-1.0	-42.08	305.97	3.98	-38.10
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020235984	0	49	-1.0	-45.42	409.15	7.23	-38.19
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020235984	1	49	-1.0	-45.43	409.10	7.20	-38.23
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020235985	0	49	-1.0	-47.76	387.37	6.08	-41.68
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020235985	1	49	-1.0	-47.78	387.31	6.07	-41.71
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020235986	0	46	-1.0	-56.71	374.87	5.81	-50.90
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020235986	1	46	-1.0	-56.71	374.81	5.78	-50.93
CSCC[C@H](NC(=O)NC1=CC(C(=O)OC(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL300020235987	0	49	-1.0	-50.13	418.39	5.78	-44.35
CSCC[C@H](NC(=O)NC1=CC(C(=O)OC(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL300020235987	1	49	-1.0	-50.11	418.33	5.76	-44.35
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020235988	0	46	-1.0	-47.26	376.24	5.86	-41.40
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020235988	1	46	-1.0	-47.26	376.17	5.85	-41.41
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020235989	0	52	-1.0	-51.80	398.80	7.57	-44.23
CC(C)(C)OC(=O)C1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020235989	1	52	-1.0	-51.77	398.75	7.54	-44.23
CCN1C=C(Br)C(=O)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020235990	0	41	-1.0	-65.23	354.54	5.59	-59.64
CCN1C=C(Br)C(=O)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020235990	1	41	-1.0	-65.23	354.59	5.61	-59.62
CCN1C=C(Br)C(=O)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020235991	0	38	-1.0	-81.99	338.54	5.20	-76.79
CCN1C=C(Br)C(=O)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020235991	1	38	-1.0	-81.98	338.60	5.22	-76.76
CCN1C=C(Br)C(=O)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020235992	0	38	-1.0	-62.90	339.96	5.26	-57.64
CCN1C=C(Br)C(=O)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020235992	1	38	-1.0	-62.94	340.04	5.27	-57.67
O=C(NC1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235993	0	45	-1.0	-46.36	369.23	6.04	-40.32
O=C(NC1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235993	1	45	-1.0	-46.38	369.29	6.06	-40.32
O=C(NC1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020235994	0	42	-1.0	-57.66	351.48	5.20	-52.46
O=C(NC1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020235994	1	42	-1.0	-57.67	351.54	5.22	-52.45
O=C(NC1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235995	0	42	-1.0	-46.41	352.91	5.23	-41.18
O=C(NC1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235995	1	42	-1.0	-46.43	352.98	5.25	-41.18
CC(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020235996	0	54	-1.0	-44.81	426.35	8.75	-36.06
CC(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020235996	1	54	-1.0	-44.78	426.41	8.77	-36.01
CC(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020235997	0	51	-1.0	-54.87	410.94	7.85	-47.02
CC(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020235997	1	51	-1.0	-54.85	411.00	7.87	-46.98
CC(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020235998	0	51	-1.0	-44.86	412.38	7.89	-36.97
CC(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020235998	1	51	-1.0	-44.86	412.45	7.91	-36.95
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235999	0	41	-1.0	-42.27	364.68	6.33	-35.94
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235999	1	41	-1.0	-42.25	364.62	6.31	-35.94
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236000	0	41	-1.0	-44.06	345.52	5.86	-38.20
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236000	1	41	-1.0	-44.04	345.46	5.84	-38.20
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236001	0	38	-1.0	-52.27	330.04	4.94	-47.33
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236001	1	38	-1.0	-52.26	329.98	4.93	-47.33
CSCC[C@H](NC(=O)NC1=NN(C2=CC=C(F)C=N2)C=C1)C1=NN=N[N-]1	REAL300020236002	0	41	-1.0	-46.09	373.66	4.91	-41.18
CSCC[C@H](NC(=O)NC1=NN(C2=CC=C(F)C=N2)C=C1)C1=N[N-]N=N1	REAL300020236002	1	41	-1.0	-46.05	373.60	4.90	-41.15
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236003	0	38	-1.0	-43.12	331.52	5.00	-38.12
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236003	1	38	-1.0	-43.09	331.45	4.98	-38.11
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236004	0	44	-1.0	-49.31	354.00	6.86	-42.45
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236004	1	44	-1.0	-49.29	353.95	6.85	-42.44
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(C=C1F)NC(=O)O2	REAL300020236005	0	38	-1.0	-47.84	340.56	2.44	-45.40
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(C=C1F)NC(=O)O2	REAL300020236005	1	38	-1.0	-47.83	340.50	2.42	-45.41
O=C(NC1=CC2=C(C=C1F)NC(=O)O2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236006	0	38	-1.0	-45.96	320.09	1.91	-44.05
O=C(NC1=CC2=C(C=C1F)NC(=O)O2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236006	1	38	-1.0	-45.99	320.15	1.92	-44.07
O=C(NC1=CC2=C(C=C1F)NC(=O)O2)N1CCCC1C1=N[N-]N=N1	REAL300020236007	0	35	-1.0	-54.54	305.40	0.99	-53.55
O=C(NC1=CC2=C(C=C1F)NC(=O)O2)N1CCCC1C1=NN=N[N-]1	REAL300020236007	1	35	-1.0	-54.64	305.46	1.02	-53.62
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1F)NC(=O)O2)C1=N[N-]N=N1	REAL300020236008	0	38	-1.0	-48.24	349.74	0.98	-47.26
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1F)NC(=O)O2)C1=NN=N[N-]1	REAL300020236008	1	38	-1.0	-48.20	349.80	1.00	-47.20
O=C(NC1=CC2=C(C=C1F)NC(=O)O2)N1CCC(C2=N[N-]N=N2)C1	REAL300020236009	0	35	-1.0	-46.43	307.56	1.07	-45.36
O=C(NC1=CC2=C(C=C1F)NC(=O)O2)N1CCC(C2=NN=N[N-]2)C1	REAL300020236009	1	35	-1.0	-46.47	307.64	1.07	-45.40
O=C(NC1=CC2=C(C=C1F)NC(=O)O2)N1CCCCC1CC1=N[N-]N=N1	REAL300020236010	0	41	-1.0	-51.86	329.21	2.90	-48.96
O=C(NC1=CC2=C(C=C1F)NC(=O)O2)N1CCCCC1CC1=NN=N[N-]1	REAL300020236010	1	41	-1.0	-51.85	329.27	2.90	-48.95
CC1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)SC(=O)N2C	REAL300020236011	0	44	-1.0	-54.19	381.09	5.65	-48.54
CC1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)SC(=O)N2C	REAL300020236011	1	44	-1.0	-54.22	381.04	5.63	-48.59
CC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)CC1)SC(=O)N2C	REAL300020236012	0	44	-1.0	-47.39	362.23	5.16	-42.23
CC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)CC1)SC(=O)N2C	REAL300020236012	1	44	-1.0	-47.46	362.29	5.18	-42.28
CC1=CC2=C(C=C1NC(=O)N1CCCC1C1=N[N-]N=N1)SC(=O)N2C	REAL300020236013	0	41	-1.0	-58.49	346.93	4.26	-54.23
CC1=CC2=C(C=C1NC(=O)N1CCCC1C1=NN=N[N-]1)SC(=O)N2C	REAL300020236013	1	41	-1.0	-58.51	346.99	4.28	-54.23
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1C)N(C)C(=O)S2)C1=N[N-]N=N1	REAL300020236014	0	44	-1.0	-50.85	391.42	4.27	-46.58
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1C)N(C)C(=O)S2)C1=NN=N[N-]1	REAL300020236014	1	44	-1.0	-50.85	391.48	4.29	-46.56
CC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)C1)SC(=O)N2C	REAL300020236015	0	41	-1.0	-50.22	348.30	4.31	-45.91
CC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)C1)SC(=O)N2C	REAL300020236015	1	41	-1.0	-50.18	348.37	4.33	-45.85
CC1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1)SC(=O)N2C	REAL300020236016	0	47	-1.0	-55.79	370.72	6.14	-49.65
CC1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1)SC(=O)N2C	REAL300020236016	1	47	-1.0	-55.79	370.77	6.15	-49.64
CC1=NOC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C12	REAL300020236017	0	40	-1.0	-44.23	348.00	4.82	-39.41
CC1=NOC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C12	REAL300020236017	1	40	-1.0	-44.29	347.94	4.79	-39.50
CC1=NOC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C12	REAL300020236018	0	40	-1.0	-45.12	328.90	4.32	-40.80
CC1=NOC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C12	REAL300020236018	1	40	-1.0	-45.13	328.96	4.34	-40.79
CC1=NOC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C12	REAL300020236019	0	37	-1.0	-53.06	313.49	3.42	-49.64
CC1=NOC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C12	REAL300020236019	1	37	-1.0	-53.03	313.55	3.44	-49.59
CSCC[C@H](NC(=O)NC1=CC=C2C(C)=NOC2=C1)C1=N[N-]N=N1	REAL300020236020	0	40	-1.0	-46.39	356.69	3.42	-42.97
CSCC[C@H](NC(=O)NC1=CC=C2C(C)=NOC2=C1)C1=NN=N[N-]1	REAL300020236020	1	40	-1.0	-46.34	356.75	3.43	-42.91
CC1=NOC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020236021	0	37	-1.0	-44.94	314.84	3.48	-41.46
CC1=NOC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020236021	1	37	-1.0	-44.92	314.91	3.50	-41.42
CC1=NOC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C12	REAL300020236022	0	43	-1.0	-47.25	335.21	5.30	-41.95
CC1=NOC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C12	REAL300020236022	1	43	-1.0	-47.23	335.24	5.32	-41.91
CC(C)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020236023	0	51	-1.0	-41.57	420.62	7.24	-34.33
CC(C)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020236023	1	51	-1.0	-41.55	420.67	7.26	-34.29
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020236024	0	51	-1.0	-41.53	400.95	6.73	-34.80
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020236024	1	51	-1.0	-41.48	401.00	6.74	-34.74
CC(C)CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020236025	0	48	-1.0	-49.69	385.52	5.80	-43.89
CC(C)CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020236025	1	48	-1.0	-49.71	385.58	5.82	-43.89
CSCC[C@H](NC(=O)NC1=CC=C(OCCC(C)C)C=C1F)C1=N[N-]N=N1	REAL300020236026	0	51	-1.0	-43.79	429.04	5.78	-38.01
CSCC[C@H](NC(=O)NC1=CC=C(OCCC(C)C)C=C1F)C1=NN=N[N-]1	REAL300020236026	1	51	-1.0	-43.80	429.09	5.79	-38.01
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020236027	0	48	-1.0	-41.18	387.69	5.85	-35.33
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020236027	1	48	-1.0	-41.23	387.77	5.87	-35.36
CC(C)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020236028	0	54	-1.0	-42.22	413.39	6.89	-35.33
CC(C)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020236028	1	54	-1.0	-42.25	413.43	6.91	-35.34
O=C(NC1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236029	0	49	-1.0	-51.80	398.45	8.52	-43.28
O=C(NC1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236029	1	49	-1.0	-51.81	398.51	8.54	-43.27
O=C(NC1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)N1CCCC1C1=N[N-]N=N1	REAL300020236030	0	46	-1.0	-66.36	382.99	7.62	-58.74
O=C(NC1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)N1CCCC1C1=NN=N[N-]1	REAL300020236030	1	46	-1.0	-66.41	383.04	7.63	-58.78
O=C(NC1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020236031	0	46	-1.0	-52.96	382.81	7.61	-45.35
O=C(NC1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020236031	1	46	-1.0	-52.96	382.88	7.62	-45.34
O=C(NC1=NN(C2=CC=C(Cl)C=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236032	0	42	-1.0	-43.03	377.89	7.47	-35.56
O=C(NC1=NN(C2=CC=C(Cl)C=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236032	1	42	-1.0	-43.01	377.84	7.44	-35.57
O=C(NC1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236033	0	42	-1.0	-44.83	358.73	6.99	-37.84
O=C(NC1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236033	1	42	-1.0	-44.77	358.68	6.98	-37.79
O=C(NC1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236034	0	39	-1.0	-52.38	343.26	6.08	-46.30
O=C(NC1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236034	1	39	-1.0	-52.42	343.20	6.05	-46.37
CSCC[C@H](NC(=O)NC1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=NN=N[N-]1	REAL300020236035	0	42	-1.0	-46.45	386.87	6.04	-40.41
CSCC[C@H](NC(=O)NC1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=N[N-]N=N1	REAL300020236035	1	42	-1.0	-46.43	386.82	6.03	-40.40
O=C(NC1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236036	0	39	-1.0	-43.55	344.74	6.13	-37.42
O=C(NC1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236036	1	39	-1.0	-43.50	344.67	6.11	-37.39
O=C(NC1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236037	0	45	-1.0	-47.91	366.66	7.86	-40.05
O=C(NC1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236037	1	45	-1.0	-47.96	366.62	7.85	-40.11
CC1=CC=C(N2C=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)C=C1	REAL300020236038	0	45	-1.0	-44.21	382.56	7.62	-36.59
CC1=CC=C(N2C=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)C=C1	REAL300020236038	1	45	-1.0	-44.22	382.51	7.60	-36.62
CC1=CC=C(N2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)C=C1	REAL300020236039	0	45	-1.0	-46.06	363.41	7.15	-38.91
CC1=CC=C(N2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)C=C1	REAL300020236039	1	45	-1.0	-46.06	363.35	7.13	-38.93
CC1=CC=C(N2C=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=C1	REAL300020236040	0	42	-1.0	-54.33	347.92	6.23	-48.10
CC1=CC=C(N2C=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=C1	REAL300020236040	1	42	-1.0	-54.35	347.87	6.22	-48.13
CSCC[C@H](NC(=O)NC1=NN(C2=CC=C(C)C=C2)C=C1)C1=NN=N[N-]1	REAL300020236041	0	45	-1.0	-48.17	391.55	6.20	-41.97
CSCC[C@H](NC(=O)NC1=NN(C2=CC=C(C)C=C2)C=C1)C1=N[N-]N=N1	REAL300020236041	1	45	-1.0	-48.21	391.49	6.18	-42.03
CC1=CC=C(N2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020236042	0	42	-1.0	-44.82	349.42	6.29	-38.53
CC1=CC=C(N2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020236042	1	42	-1.0	-44.84	349.34	6.27	-38.57
CC1=CC=C(N2C=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)C=C1	REAL300020236043	0	48	-1.0	-50.46	371.36	8.01	-42.45
CC1=CC=C(N2C=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)C=C1	REAL300020236043	1	48	-1.0	-50.45	371.32	8.01	-42.44
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C2CC2)C=C1Cl	REAL300020236044	0	46	-1.0	-41.28	395.03	6.88	-34.40
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C2CC2)C=C1Cl	REAL300020236044	1	46	-1.0	-41.30	395.08	6.90	-34.40
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C2CC2)C=C1Cl	REAL300020236045	0	46	-1.0	-42.50	376.02	6.43	-36.07
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C2CC2)C=C1Cl	REAL300020236045	1	46	-1.0	-42.53	376.07	6.44	-36.09
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(C2CC2)C=C1Cl	REAL300020236046	0	43	-1.0	-52.53	360.70	5.52	-47.01
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(C2CC2)C=C1Cl	REAL300020236046	1	43	-1.0	-52.54	360.76	5.53	-47.01
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C2CC2)C=C1Cl	REAL300020236047	0	46	-1.0	-45.73	403.22	5.43	-40.30
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C2CC2)C=C1Cl	REAL300020236047	1	46	-1.0	-45.69	403.28	5.45	-40.24
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C2CC2)C=C1Cl	REAL300020236048	0	43	-1.0	-42.79	361.06	5.50	-37.29
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C2CC2)C=C1Cl	REAL300020236048	1	43	-1.0	-42.78	361.13	5.51	-37.27
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C2CC2)C=C1Cl	REAL300020236049	0	49	-1.0	-46.99	381.29	7.30	-39.69
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C2CC2)C=C1Cl	REAL300020236049	1	49	-1.0	-46.97	381.33	7.32	-39.65
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=C(F)C=C1F	REAL300020236050	0	45	-1.0	-49.67	374.92	6.15	-43.52
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=C(F)C=C1F	REAL300020236050	1	45	-1.0	-49.67	374.98	6.16	-43.51
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1F	REAL300020236051	0	42	-1.0	-62.23	358.67	5.27	-56.96
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1F	REAL300020236051	1	42	-1.0	-62.27	358.73	5.28	-56.99
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1F	REAL300020236052	0	42	-1.0	-50.42	360.03	5.31	-45.11
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1F	REAL300020236052	1	42	-1.0	-50.37	360.11	5.32	-45.05
CN1C=C(Br)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020236053	0	35	-1.0	-46.78	329.15	4.38	-42.40
CN1C=C(Br)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020236053	1	35	-1.0	-46.79	329.09	4.35	-42.44
CN1C=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020236054	0	35	-1.0	-48.90	309.94	3.89	-45.01
CN1C=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020236054	1	35	-1.0	-48.88	309.88	3.88	-45.00
CN1C=C(Br)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020236055	0	32	-1.0	-59.69	294.51	2.98	-56.71
CN1C=C(Br)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020236055	1	32	-1.0	-59.68	294.45	2.97	-56.71
CSCC[C@H](NC(=O)NC1=NN(C)C=C1Br)C1=NN=N[N-]1	REAL300020236056	0	35	-1.0	-52.40	338.13	2.95	-49.45
CSCC[C@H](NC(=O)NC1=NN(C)C=C1Br)C1=N[N-]N=N1	REAL300020236056	1	35	-1.0	-52.36	338.07	2.94	-49.42
CN1C=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020236057	0	32	-1.0	-48.90	295.98	3.04	-45.86
CN1C=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020236057	1	32	-1.0	-48.89	295.91	3.02	-45.87
CN1C=C(Br)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020236058	0	38	-1.0	-54.83	318.43	4.77	-50.06
CN1C=C(Br)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020236058	1	38	-1.0	-54.77	318.38	4.75	-50.02
CN1C(=O)C=CC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C21	REAL300020236059	0	44	-1.0	-54.74	366.27	5.69	-49.05
CN1C(=O)C=CC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C21	REAL300020236059	1	44	-1.0	-54.73	366.22	5.67	-49.06
CN1C(=O)C=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300020236060	0	44	-1.0	-47.45	347.61	5.20	-42.25
CN1C(=O)C=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300020236060	1	44	-1.0	-47.49	347.67	5.22	-42.27
CN1C(=O)C=CC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020236061	0	41	-1.0	-54.18	332.20	4.29	-49.89
CN1C(=O)C=CC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020236061	1	41	-1.0	-54.22	332.26	4.31	-49.91
CSCC[C@H](NC(=O)NC1=CC=CC2=C1C=CC(=O)N2C)C1=N[N-]N=N1	REAL300020236062	0	44	-1.0	-48.76	376.69	4.29	-44.47
CSCC[C@H](NC(=O)NC1=CC=CC2=C1C=CC(=O)N2C)C1=NN=N[N-]1	REAL300020236062	1	44	-1.0	-48.80	376.75	4.30	-44.50
CN1C(=O)C=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020236063	0	41	-1.0	-47.13	334.52	4.37	-42.76
CN1C(=O)C=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020236063	1	41	-1.0	-47.12	334.59	4.38	-42.74
CN1C(=O)C=CC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020236064	0	47	-1.0	-44.03	358.73	5.34	-38.69
CN1C(=O)C=CC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020236064	1	47	-1.0	-43.99	358.76	5.35	-38.64
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236065	0	40	-2.0	-95.29	373.44	6.04	-89.25
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236065	1	40	-2.0	-95.26	373.38	6.01	-89.25
O=C(NC1=NC=C(C2=CC=CC=C2F)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236065	1	41	-1.0	-47.83	376.70	7.23	-40.60
O=C(NC1=NC=C(C2=CC=CC=C2F)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236065	1	41	-1.0	-47.82	376.64	7.20	-40.62
O=C(NC1=NC=C(C2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236066	0	41	-1.0	-50.25	357.53	6.76	-43.49
O=C(NC1=NC=C(C2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236066	1	41	-1.0	-50.26	357.48	6.75	-43.51
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236066	1	40	-2.0	-97.89	356.46	5.92	-91.97
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236066	1	40	-2.0	-97.87	356.40	5.90	-91.97
O=C(NC1=NC=C(C2=CC=CC=C2F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020236067	0	38	-1.0	-61.86	342.06	5.84	-56.02
O=C(NC1=NC=C(C2=CC=CC=C2F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020236067	1	38	-1.0	-61.84	342.01	5.81	-56.03
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020236067	1	37	-2.0	-122.14	340.59	4.79	-117.35
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020236067	1	37	-2.0	-122.14	340.65	4.79	-117.35
CSCC[C@H](NC(=O)NC1=NC=C(C2=CC=CC=C2F)S1)C1=NN=N[N-]1	REAL300020236068	0	41	-1.0	-53.78	385.68	5.80	-47.98
CSCC[C@H](NC(=O)NC1=NC=C(C2=CC=CC=C2F)S1)C1=N[N-]N=N1	REAL300020236068	1	41	-1.0	-53.77	385.62	5.79	-47.98
O=C(NC1=NC=C(C2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236069	0	38	-1.0	-50.74	343.55	5.90	-44.84
O=C(NC1=NC=C(C2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236069	1	38	-1.0	-50.73	343.47	5.88	-44.85
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236069	1	37	-2.0	-99.48	341.42	4.85	-94.63
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236069	1	37	-2.0	-99.46	341.35	4.84	-94.62
O=C(NC1=NC=C(C2=CC=CC=C2F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236070	0	44	-1.0	-57.76	365.74	7.61	-50.15
O=C(NC1=NC=C(C2=CC=CC=C2F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236070	1	44	-1.0	-57.70	365.69	7.60	-50.10
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236070	1	43	-2.0	-105.04	368.67	6.59	-98.45
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236070	1	43	-2.0	-105.07	368.61	6.60	-98.47
COC(=O)C1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020236071	0	40	-1.0	-57.19	366.21	4.05	-53.14
COC(=O)C1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020236071	1	40	-1.0	-57.20	366.15	4.03	-53.17
COC(=O)C1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020236072	0	40	-1.0	-46.26	347.43	3.56	-42.70
COC(=O)C1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020236072	1	40	-1.0	-46.26	347.37	3.54	-42.72
COC(=O)C1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020236073	0	37	-1.0	-53.26	331.94	2.64	-50.62
COC(=O)C1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020236073	1	37	-1.0	-53.23	331.88	2.63	-50.60
COC(=O)C1=NC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020236074	0	40	-1.0	-47.31	375.20	2.63	-44.68
COC(=O)C1=NC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020236074	1	40	-1.0	-47.32	375.14	2.61	-44.71
COC(=O)C1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020236075	0	37	-1.0	-46.19	333.03	2.72	-43.47
COC(=O)C1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020236075	1	37	-1.0	-46.15	332.96	2.71	-43.44
COC(=O)C1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020236076	0	43	-1.0	-50.10	355.18	4.44	-45.66
COC(=O)C1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020236076	1	43	-1.0	-50.08	355.13	4.44	-45.64
CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020236077	0	40	-1.0	-48.99	353.26	1.46	-47.53
CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020236077	1	40	-1.0	-49.01	353.20	1.44	-47.57
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020236078	0	40	-1.0	-43.57	331.09	0.57	-43.00
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=N1	REAL300020236078	1	40	-1.0	-43.52	331.04	0.55	-42.97
CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300020236079	0	37	-1.0	-61.27	318.73	0.07	-61.20
CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300020236079	1	37	-1.0	-61.24	318.67	0.06	-61.18
CNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1	REAL300020236080	0	40	-1.0	-53.89	362.26	0.04	-53.85
CNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1	REAL300020236080	1	40	-1.0	-53.88	362.21	0.02	-53.86
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020236081	0	37	-1.0	-51.58	320.09	0.13	-51.45
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020236081	1	37	-1.0	-51.62	320.02	0.12	-51.50
CNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020236082	0	43	-1.0	-45.95	346.88	0.98	-44.97
CNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020236082	1	43	-1.0	-45.99	346.84	0.98	-45.01
CC1=CC=CC=C1N1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(F)F	REAL300020236083	0	45	-1.0	-56.21	374.74	6.09	-50.12
CC1=CC=CC=C1N1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(F)F	REAL300020236083	1	45	-1.0	-56.25	374.80	6.10	-50.15
CC1=CC=CC=C1N1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)F	REAL300020236084	0	45	-1.0	-46.16	374.04	6.24	-39.92
CC1=CC=CC=C1N1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)F	REAL300020236084	1	45	-1.0	-46.14	374.11	6.25	-39.89
COCC1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236085	0	41	-1.0	-46.52	354.26	4.26	-42.26
COCC1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020236085	1	41	-1.0	-46.51	354.20	4.23	-42.28
COCC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236086	0	41	-1.0	-44.52	332.40	3.09	-41.43
COCC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236086	1	41	-1.0	-44.56	332.46	3.10	-41.46
COCC1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020236087	0	38	-1.0	-60.54	319.74	2.84	-57.70
COCC1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020236087	1	38	-1.0	-60.53	319.80	2.86	-57.67
COCC1=CC=NC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020236088	0	41	-1.0	-52.20	363.43	2.78	-49.42
COCC1=CC=NC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020236088	1	41	-1.0	-52.18	363.49	2.80	-49.38
COCC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020236089	0	38	-1.0	-49.33	321.26	2.88	-46.45
COCC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020236089	1	38	-1.0	-49.31	321.34	2.89	-46.42
COCC1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236090	0	44	-1.0	-55.58	343.85	4.56	-51.02
COCC1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236090	1	44	-1.0	-55.54	343.91	4.58	-50.96
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=C(C)C=C1	REAL300020236091	0	48	-1.0	-46.05	401.47	7.12	-38.93
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=C(C)C=C1	REAL300020236091	1	48	-1.0	-46.00	401.42	7.10	-38.90
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=C(C)C=C1	REAL300020236092	0	48	-1.0	-47.28	382.32	6.64	-40.64
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=C(C)C=C1	REAL300020236092	1	48	-1.0	-47.31	382.38	6.65	-40.66
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL300020236093	0	45	-1.0	-60.05	366.78	5.71	-54.34
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300020236093	1	45	-1.0	-60.08	366.84	5.73	-54.35
CSCC[C@H](NC(=O)NC1=C(C)N(C2=CC=C(C)C=C2)N=C1)C1=N[N-]N=N1	REAL300020236094	0	48	-1.0	-52.28	410.38	5.68	-46.60
CSCC[C@H](NC(=O)NC1=C(C)N(C2=CC=C(C)C=C2)N=C1)C1=NN=N[N-]1	REAL300020236094	1	48	-1.0	-52.32	410.44	5.70	-46.62
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020236095	0	45	-1.0	-48.43	368.25	5.76	-42.67
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020236095	1	45	-1.0	-48.42	368.33	5.77	-42.65
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL300020236096	0	51	-1.0	-56.27	390.22	7.51	-48.76
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300020236096	1	51	-1.0	-56.28	390.26	7.51	-48.77
CSC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C	REAL300020236097	0	42	-1.0	-53.42	361.99	6.35	-47.07
CSC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C	REAL300020236097	1	42	-1.0	-53.42	361.93	6.32	-47.10
CSC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C	REAL300020236098	0	42	-1.0	-43.39	342.74	5.87	-37.52
CSC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C	REAL300020236098	1	42	-1.0	-43.42	342.80	5.89	-37.53
CSC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020236099	0	39	-1.0	-54.19	327.19	4.99	-49.20
CSC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020236099	1	39	-1.0	-54.26	327.25	5.00	-49.26
CSCC[C@H](NC(=O)NC1=CC=C(C)C(SC)=C1)C1=N[N-]N=N1	REAL300020236100	0	42	-1.0	-47.62	370.98	4.92	-42.70
CSCC[C@H](NC(=O)NC1=CC=C(C)C(SC)=C1)C1=NN=N[N-]1	REAL300020236100	1	42	-1.0	-47.63	371.04	4.93	-42.70
CSC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020236101	0	39	-1.0	-43.48	328.56	5.04	-38.44
CSC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020236101	1	39	-1.0	-43.54	328.64	5.05	-38.49
CSC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020236102	0	45	-1.0	-48.77	350.83	6.77	-42.00
CSC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020236102	1	45	-1.0	-48.73	350.88	6.78	-41.95
C[C@@H]1CN(C2=CC(F)=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C[C@H](C)O1	REAL300020236103	0	51	-1.0	-54.45	401.55	3.75	-50.70
C[C@@H]1CN(C2=CC(F)=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C[C@H](C)O1	REAL300020236103	1	51	-1.0	-54.46	401.61	3.76	-50.70
C[C@@H]1CN(C2=CC(F)=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C[C@H](C)O1	REAL300020236104	0	51	-1.0	-45.41	402.93	3.81	-41.60
C[C@@H]1CN(C2=CC(F)=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C[C@H](C)O1	REAL300020236104	1	51	-1.0	-45.40	403.00	3.82	-41.58
O=C(NC1=CC=CC=C1OCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236105	0	49	-1.0	-44.63	393.69	7.70	-36.93
O=C(NC1=CC=CC=C1OCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236105	1	49	-1.0	-44.64	393.74	7.72	-36.92
O=C(NC1=CC=CC=C1OCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236106	0	46	-1.0	-55.52	379.06	6.77	-48.75
O=C(NC1=CC=CC=C1OCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236106	1	46	-1.0	-55.50	379.12	6.80	-48.70
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020236107	0	49	-1.0	-48.58	421.79	6.74	-41.84
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020236107	1	49	-1.0	-48.56	421.84	6.76	-41.80
O=C(NC1=CC=CC=C1OCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236108	0	46	-1.0	-44.35	379.61	6.85	-37.50
O=C(NC1=CC=CC=C1OCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236108	1	46	-1.0	-44.32	379.69	6.86	-37.46
O=C(NC1=CC=CC=C1OCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236109	0	52	-1.0	-45.32	405.95	7.93	-37.39
O=C(NC1=CC=CC=C1OCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236109	1	52	-1.0	-45.31	406.04	7.94	-37.37
N#CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=C1	REAL300020236110	0	33	-1.0	-40.63	312.92	4.29	-36.34
N#CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=C1	REAL300020236110	1	33	-1.0	-40.65	312.86	4.27	-36.38
N#CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=C1	REAL300020236111	0	33	-1.0	-41.42	293.63	3.82	-37.60
N#CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=C1	REAL300020236111	1	33	-1.0	-41.46	293.68	3.83	-37.63
CSCC[C@H](NC(=O)NC1=C(C#N)C=CS1)C1=N[N-]N=N1	REAL300020236112	0	33	-1.0	-42.05	321.80	2.87	-39.18
CSCC[C@H](NC(=O)NC1=C(C#N)C=CS1)C1=NN=N[N-]1	REAL300020236112	1	33	-1.0	-42.05	321.85	2.89	-39.16
N#CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)SC=C1	REAL300020236113	0	36	-1.0	-42.85	302.22	4.80	-38.05
N#CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)SC=C1	REAL300020236113	1	36	-1.0	-42.82	302.27	4.82	-38.00
CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)N(C)C1=O	REAL300020236114	0	41	-1.0	-53.94	353.33	3.62	-50.32
CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)N(C)C1=O	REAL300020236114	1	41	-1.0	-53.96	353.28	3.60	-50.36
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N(C)C1=O	REAL300020236115	0	41	-1.0	-58.72	331.20	3.83	-54.89
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N(C)C1=O	REAL300020236115	1	41	-1.0	-58.75	331.26	3.85	-54.90
CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)N(C)C1=O	REAL300020236116	0	38	-1.0	-63.23	318.38	2.63	-60.60
CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)N(C)C1=O	REAL300020236116	1	38	-1.0	-63.22	318.44	2.65	-60.57
CSCC[C@H](NC(=O)NC1=CN(C)C(=O)N(C)C1=O)C1=N[N-]N=N1	REAL300020236117	0	41	-1.0	-55.78	362.45	2.56	-53.22
CSCC[C@H](NC(=O)NC1=CN(C)C(=O)N(C)C1=O)C1=NN=N[N-]1	REAL300020236117	1	41	-1.0	-55.80	362.51	2.57	-53.23
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N(C)C1=O	REAL300020236118	0	38	-1.0	-58.64	320.47	2.34	-56.30
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N(C)C1=O	REAL300020236118	1	38	-1.0	-58.66	320.55	2.35	-56.31
CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N(C)C1=O	REAL300020236119	0	44	-1.0	-59.42	342.06	4.24	-55.18
CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N(C)C1=O	REAL300020236119	1	44	-1.0	-59.41	342.11	4.25	-55.16
O=C(NC1=NSC2=CC=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236120	0	37	-1.0	-57.82	335.44	6.20	-51.62
O=C(NC1=NSC2=CC=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236120	1	37	-1.0	-57.86	335.39	6.18	-51.68
O=C(NC1=NSC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236121	0	37	-1.0	-50.84	316.22	5.72	-45.12
O=C(NC1=NSC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236121	1	37	-1.0	-50.85	316.17	5.70	-45.15
O=C(NC1=NSC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300020236122	0	34	-1.0	-64.12	300.80	4.84	-59.28
O=C(NC1=NSC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300020236122	1	34	-1.0	-64.16	300.74	4.82	-59.34
CSCC[C@H](NC(=O)NC1=NSC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020236123	0	37	-1.0	-55.45	344.41	4.78	-50.67
CSCC[C@H](NC(=O)NC1=NSC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020236123	1	37	-1.0	-55.44	344.35	4.76	-50.68
O=C(NC1=NSC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020236124	0	34	-1.0	-51.96	302.28	4.87	-47.09
O=C(NC1=NSC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020236124	1	34	-1.0	-51.94	302.21	4.86	-47.08
O=C(NC1=NSC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020236125	0	40	-1.0	-60.62	324.79	6.71	-53.91
O=C(NC1=NSC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020236125	1	40	-1.0	-60.65	324.73	6.71	-53.94
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236126	0	35	-2.0	-85.40	343.30	2.71	-82.69
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236126	1	35	-2.0	-85.43	343.25	2.69	-82.74
O=C(NC1=NC2=CC=C(Cl)N=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236126	1	36	-1.0	-49.69	346.57	3.90	-45.79
O=C(NC1=NC2=CC=C(Cl)N=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236126	1	36	-1.0	-49.66	346.51	3.87	-45.79
O=C(NC1=NC2=CC=C(Cl)N=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236127	0	36	-1.0	-44.47	327.36	3.43	-41.04
O=C(NC1=NC2=CC=C(Cl)N=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236127	1	36	-1.0	-44.41	327.30	3.41	-41.00
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236127	1	35	-2.0	-87.73	326.34	2.59	-85.14
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236127	1	35	-2.0	-87.73	326.28	2.57	-85.16
O=C(NC1=NC2=CC=C(Cl)N=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020236128	0	33	-1.0	-52.46	311.91	2.51	-49.95
O=C(NC1=NC2=CC=C(Cl)N=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020236128	1	33	-1.0	-52.43	311.85	2.50	-49.93
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020236128	1	32	-2.0	-108.41	310.46	1.45	-106.96
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020236128	1	32	-2.0	-108.38	310.52	1.48	-106.90
CSCC[C@H](NC(=O)NC1=NC2=CC=C(Cl)N=C2S1)C1=NN=N[N-]1	REAL300020236129	0	36	-1.0	-46.11	355.54	2.48	-43.63
CSCC[C@H](NC(=O)NC1=NC2=CC=C(Cl)N=C2S1)C1=N[N-]N=N1	REAL300020236129	1	36	-1.0	-46.12	355.48	2.47	-43.65
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=C(Cl)N=C2S1)C1=N[N-]N=N1	REAL300020236129	1	35	-2.0	-98.65	352.23	1.28	-97.37
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=C(Cl)N=C2S1)C1=NN=N[N-]1	REAL300020236129	1	35	-2.0	-98.70	352.29	1.30	-97.40
O=C(NC1=NC2=CC=C(Cl)N=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236130	0	33	-1.0	-43.55	313.41	2.56	-40.99
O=C(NC1=NC2=CC=C(Cl)N=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236130	1	33	-1.0	-43.53	313.33	2.54	-40.99
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236130	1	32	-2.0	-88.13	311.28	1.52	-86.61
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236130	1	32	-2.0	-88.13	311.20	1.50	-86.63
O=C(NC1=NC2=CC=C(Cl)N=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236131	0	39	-1.0	-49.55	335.62	4.29	-45.26
O=C(NC1=NC2=CC=C(Cl)N=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236131	1	39	-1.0	-49.50	335.57	4.27	-45.23
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236131	1	38	-2.0	-106.55	334.84	3.45	-103.10
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236131	1	38	-2.0	-106.49	334.79	3.45	-103.04
CCC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236132	0	41	-1.0	-41.44	343.79	6.58	-34.86
CCC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236132	1	41	-1.0	-41.47	343.85	6.60	-34.87
CCC1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236133	0	38	-1.0	-50.69	327.82	5.62	-45.07
CCC1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236133	1	38	-1.0	-50.71	327.88	5.65	-45.06
CCC1=CC(Br)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020236134	0	41	-1.0	-43.88	371.35	5.58	-38.30
CCC1=CC(Br)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020236134	1	41	-1.0	-43.86	371.41	5.60	-38.26
CCC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236135	0	38	-1.0	-41.89	329.17	5.68	-36.21
CCC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236135	1	38	-1.0	-41.92	329.25	5.69	-36.23
CCC1=CC(Br)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236136	0	44	-1.0	-47.96	351.64	7.53	-40.43
CCC1=CC(Br)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236136	1	44	-1.0	-47.94	351.69	7.53	-40.41
COC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020236137	0	40	-1.0	-53.66	354.85	5.12	-48.54
COC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020236137	1	40	-1.0	-53.63	354.79	5.10	-48.53
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020236138	0	40	-1.0	-52.86	335.99	4.62	-48.24
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020236138	1	40	-1.0	-52.89	335.93	4.61	-48.28
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020236139	0	37	-1.0	-64.62	320.57	3.70	-60.92
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020236139	1	37	-1.0	-64.62	320.51	3.68	-60.94
COC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020236140	0	40	-1.0	-56.73	364.09	3.66	-53.07
COC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020236140	1	40	-1.0	-56.72	364.03	3.65	-53.07
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020236141	0	37	-1.0	-53.91	321.95	3.77	-50.14
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020236141	1	37	-1.0	-53.93	321.87	3.76	-50.17
COC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020236142	0	43	-1.0	-58.58	344.06	5.48	-53.10
COC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020236142	1	43	-1.0	-58.55	344.01	5.47	-53.08
COC1=CC=CC(SC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)N=C2)=C1	REAL300020236143	0	46	-1.0	-60.21	394.80	6.48	-53.73
COC1=CC=CC(SC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)N=C2)=C1	REAL300020236143	1	46	-1.0	-60.21	394.74	6.45	-53.76
COC1=CC=CC(SC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2)=C1	REAL300020236144	0	46	-1.0	-49.71	396.33	6.54	-43.17
COC1=CC=CC(SC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2)=C1	REAL300020236144	1	46	-1.0	-49.69	396.26	6.52	-43.17
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236145	0	52	0.0	-71.55	413.62	7.68	-63.87
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236145	1	52	0.0	-71.55	413.68	7.69	-63.86
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236146	0	52	0.0	-66.11	415.72	7.79	-58.32
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236146	1	52	0.0	-66.14	415.80	7.80	-58.34
CC1=CC(OC2=CC=CC=C2C#N)=NC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236147	0	46	-1.0	-62.99	393.36	4.79	-58.20
CC1=CC(OC2=CC=CC=C2C#N)=NC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236147	1	46	-1.0	-62.99	393.42	4.82	-58.17
CC1=CC(OC2=CC=CC=C2C#N)=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236148	0	46	-1.0	-51.79	394.69	4.84	-46.95
CC1=CC(OC2=CC=CC=C2C#N)=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236148	1	46	-1.0	-51.80	394.76	4.85	-46.95
CCCN(CCC)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020236149	0	55	-1.0	-55.19	441.42	8.55	-46.64
CCCN(CCC)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020236149	1	55	-1.0	-55.15	441.47	8.58	-46.57
CCCN(CCC)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020236150	0	55	-1.0	-44.38	422.43	8.10	-36.28
CCCN(CCC)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020236150	1	55	-1.0	-44.41	422.49	8.12	-36.29
CCCN(CCC)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020236151	0	52	-1.0	-54.40	406.94	7.18	-47.22
CCCN(CCC)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020236151	1	52	-1.0	-54.46	406.99	7.20	-47.26
CCCN(CCC)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020236152	0	55	-1.0	-49.80	450.45	7.15	-42.65
CCCN(CCC)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020236152	1	55	-1.0	-49.77	450.51	7.16	-42.61
CCCN(CCC)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020236153	0	52	-1.0	-44.85	408.30	7.24	-37.61
CCCN(CCC)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020236153	1	52	-1.0	-44.89	408.37	7.26	-37.63
CCCN(CCC)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020236154	0	58	-1.0	-43.04	434.74	8.27	-34.77
CCCN(CCC)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020236154	1	58	-1.0	-43.03	434.78	8.29	-34.74
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCCCCC2=C1	REAL300020236155	0	48	-1.0	-55.66	381.02	7.78	-47.88
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCCCCC2=C1	REAL300020236155	1	48	-1.0	-55.65	380.97	7.75	-47.90
O=C(NC1=CC=C2CCCCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236156	0	48	-1.0	-43.99	360.70	7.30	-36.69
O=C(NC1=CC=C2CCCCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236156	1	48	-1.0	-44.01	360.76	7.32	-36.69
O=C(NC1=CC=C2CCCCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236157	0	45	-1.0	-57.55	346.38	6.38	-51.17
O=C(NC1=CC=C2CCCCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236157	1	45	-1.0	-57.58	346.44	6.39	-51.19
CSCC[C@H](NC(=O)NC1=CC=C2CCCCCC2=C1)C1=N[N-]N=N1	REAL300020236158	0	48	-1.0	-48.05	389.90	6.35	-41.70
CSCC[C@H](NC(=O)NC1=CC=C2CCCCCC2=C1)C1=NN=N[N-]1	REAL300020236158	1	48	-1.0	-48.03	389.95	6.36	-41.67
O=C(NC1=CC=C2CCCCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236159	0	45	-1.0	-44.86	347.79	6.44	-38.42
O=C(NC1=CC=C2CCCCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236159	1	45	-1.0	-44.87	347.86	6.44	-38.43
O=C(NC1=CC=C2CCCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236160	0	51	-1.0	-42.69	374.46	7.45	-35.24
O=C(NC1=CC=C2CCCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236160	1	51	-1.0	-42.68	374.50	7.46	-35.22
COC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1OC	REAL300020236161	0	45	-1.0	-42.94	385.00	5.63	-37.31
COC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1OC	REAL300020236161	1	45	-1.0	-42.93	384.95	5.61	-37.32
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1OC	REAL300020236162	0	45	-1.0	-44.40	366.30	5.13	-39.27
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1OC	REAL300020236162	1	45	-1.0	-44.40	366.35	5.14	-39.26
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1OC	REAL300020236163	0	42	-1.0	-52.20	351.57	4.21	-47.99
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1OC	REAL300020236163	1	42	-1.0	-52.18	351.63	4.24	-47.94
COC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1OC	REAL300020236164	0	45	-1.0	-49.34	394.26	4.20	-45.14
COC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1OC	REAL300020236164	1	45	-1.0	-49.35	394.32	4.22	-45.13
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020236165	0	42	-1.0	-43.80	353.10	4.29	-39.51
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020236165	1	42	-1.0	-43.79	353.17	4.29	-39.50
COC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1OC	REAL300020236166	0	48	-1.0	-48.37	375.01	6.01	-42.36
COC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1OC	REAL300020236166	1	48	-1.0	-48.39	375.06	6.02	-42.37
CN(C)C1=CC(F)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236167	0	43	-1.0	-47.26	360.07	5.29	-41.97
CN(C)C1=CC(F)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020236167	1	43	-1.0	-47.28	360.01	5.27	-42.01
CN(C)C1=CC(F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236168	0	43	-1.0	-46.23	342.96	4.77	-41.46
CN(C)C1=CC(F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236168	1	43	-1.0	-46.24	343.02	4.79	-41.45
CN(C)C1=CC(F)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020236169	0	40	-1.0	-55.54	326.66	3.84	-51.70
CN(C)C1=CC(F)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020236169	1	40	-1.0	-55.59	326.72	3.85	-51.74
CSCC[C@H](NC(=O)NC1=CC(F)=CC(N(C)C)=C1)C1=N[N-]N=N1	REAL300020236170	0	43	-1.0	-50.90	369.13	3.82	-47.08
CSCC[C@H](NC(=O)NC1=CC(F)=CC(N(C)C)=C1)C1=NN=N[N-]1	REAL300020236170	1	43	-1.0	-50.89	369.18	3.83	-47.06
CN(C)C1=CC(F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020236171	0	40	-1.0	-46.43	327.39	3.91	-42.52
CN(C)C1=CC(F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020236171	1	40	-1.0	-46.45	327.47	3.91	-42.54
CN(C)C1=CC(F)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236172	0	46	-1.0	-42.92	354.39	4.91	-38.01
CN(C)C1=CC(F)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236172	1	46	-1.0	-42.90	354.43	4.92	-37.98
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1=CC=C(F)C=C1	REAL300020236173	0	45	-1.0	-44.87	386.48	6.51	-38.36
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1=CC=C(F)C=C1	REAL300020236173	1	45	-1.0	-44.82	386.42	6.48	-38.34
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=C(F)C=C1	REAL300020236174	0	45	-1.0	-46.01	367.33	6.02	-39.99
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=C(F)C=C1	REAL300020236174	1	45	-1.0	-46.01	367.39	6.03	-39.98
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL300020236175	0	42	-1.0	-58.21	350.55	5.06	-53.15
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300020236175	1	42	-1.0	-58.21	350.61	5.08	-53.13
CSCC[C@H](NC(=O)NC1=C(C)N(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300020236176	0	45	-1.0	-50.49	395.39	5.07	-45.42
CSCC[C@H](NC(=O)NC1=C(C)N(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300020236176	1	45	-1.0	-50.48	395.45	5.09	-45.39
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020236177	0	42	-1.0	-47.39	352.03	5.10	-42.29
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020236177	1	42	-1.0	-47.38	352.10	5.11	-42.27
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL300020236178	0	48	-1.0	-54.89	376.01	7.02	-47.87
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300020236178	1	48	-1.0	-54.92	376.06	7.03	-47.89
CSC1=CC=CN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236179	0	38	-1.0	-46.34	337.25	5.60	-40.74
CSC1=CC=CN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236179	1	38	-1.0	-46.38	337.19	5.57	-40.81
CSC1=CC=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236180	0	38	-1.0	-48.28	318.06	5.12	-43.16
CSC1=CC=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236180	1	38	-1.0	-48.27	318.00	5.10	-43.17
CSC1=CC=CN=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236181	0	35	-1.0	-59.91	302.59	4.20	-55.71
CSC1=CC=CN=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236181	1	35	-1.0	-59.94	302.53	4.19	-55.75
CSCC[C@H](NC(=O)NC1=NC=CC=C1SC)C1=NN=N[N-]1	REAL300020236182	0	38	-1.0	-52.36	346.21	4.18	-48.18
CSCC[C@H](NC(=O)NC1=NC=CC=C1SC)C1=N[N-]N=N1	REAL300020236182	1	38	-1.0	-52.41	346.15	4.16	-48.25
CSC1=CC=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236183	0	35	-1.0	-48.53	304.08	4.25	-44.28
CSC1=CC=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236183	1	35	-1.0	-48.52	304.01	4.23	-44.29
CSC1=CC=CN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236184	0	41	-1.0	-54.87	326.28	5.97	-48.90
CSC1=CC=CN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236184	1	41	-1.0	-54.87	326.23	5.96	-48.91
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(Cl)=C1OC	REAL300020236185	0	43	-1.0	-47.06	381.50	4.64	-42.42
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(Cl)=C1OC	REAL300020236185	1	43	-1.0	-47.09	381.56	4.67	-42.42
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(Cl)=C1OC	REAL300020236186	0	43	-1.0	-45.81	362.76	4.13	-41.68
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(Cl)=C1OC	REAL300020236186	1	43	-1.0	-45.77	362.81	4.14	-41.63
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(Cl)=C1OC	REAL300020236187	0	40	-1.0	-56.68	347.18	3.24	-53.44
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020236187	1	40	-1.0	-56.68	347.24	3.25	-53.43
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(Cl)=C1OC	REAL300020236188	0	43	-1.0	-49.52	390.72	3.20	-46.32
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020236188	1	43	-1.0	-49.52	390.78	3.22	-46.30
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OC	REAL300020236189	0	40	-1.0	-45.47	348.57	3.30	-42.17
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OC	REAL300020236189	1	40	-1.0	-45.51	348.65	3.30	-42.21
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Cl)=C1OC	REAL300020236190	0	46	-1.0	-40.63	375.26	4.30	-36.33
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020236190	1	46	-1.0	-40.61	375.29	4.31	-36.30
O=C(NC1=CSC(C2=CC=CC=C2)=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236191	0	41	-1.0	-56.11	369.40	7.03	-49.08
O=C(NC1=CSC(C2=CC=CC=C2)=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236191	1	41	-1.0	-56.14	369.35	7.00	-49.14
O=C(NC1=CSC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236192	0	41	-1.0	-43.97	347.51	6.07	-37.90
O=C(NC1=CSC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236192	1	41	-1.0	-43.96	347.46	6.05	-37.91
O=C(NC1=CSC(C2=CC=CC=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020236193	0	38	-1.0	-63.04	335.11	5.59	-57.45
O=C(NC1=CSC(C2=CC=CC=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020236193	1	38	-1.0	-63.03	335.05	5.57	-57.46
CSCC[C@H](NC(=O)NC1=CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020236194	0	41	-1.0	-54.79	378.63	5.57	-49.22
CSCC[C@H](NC(=O)NC1=CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020236194	1	41	-1.0	-54.75	378.57	5.56	-49.19
O=C(NC1=CSC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236195	0	38	-1.0	-50.77	336.46	5.64	-45.13
O=C(NC1=CSC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236195	1	38	-1.0	-50.74	336.39	5.63	-45.11
O=C(NC1=CSC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236196	0	44	-1.0	-57.13	358.60	7.38	-49.75
O=C(NC1=CSC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236196	1	44	-1.0	-57.16	358.55	7.38	-49.78
CC(C)(C)OC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020236197	0	50	-1.0	-66.25	412.94	7.44	-58.81
CC(C)(C)OC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236197	1	50	-1.0	-66.24	413.00	7.47	-58.77
CC(C)(C)OC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236198	0	50	-1.0	-44.39	392.56	7.04	-37.35
CC(C)(C)OC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236198	1	50	-1.0	-44.40	392.61	7.06	-37.34
CC(C)(C)OC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020236199	0	47	-1.0	-68.36	378.19	6.11	-62.25
CC(C)(C)OC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020236199	1	47	-1.0	-68.36	378.25	6.12	-62.24
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020236200	0	50	-1.0	-54.04	421.72	6.07	-47.97
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020236200	1	50	-1.0	-54.05	421.77	6.08	-47.97
CC(C)(C)OC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020236201	0	47	-1.0	-52.14	379.55	6.16	-45.98
CC(C)(C)OC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020236201	1	47	-1.0	-52.18	379.63	6.17	-46.01
CC(C)(C)OC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236202	0	53	-1.0	-49.10	401.84	7.89	-41.21
CC(C)(C)OC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236202	1	53	-1.0	-49.10	401.90	7.90	-41.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(C(F)F)=CC=C1F	REAL300020236203	0	38	-1.0	-51.32	340.91	5.75	-45.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(C(F)F)=CC=C1F	REAL300020236203	1	38	-1.0	-51.31	340.85	5.73	-45.58
O=C(NC1=CC(C(F)F)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236204	0	38	-1.0	-48.07	324.28	5.31	-42.76
O=C(NC1=CC(C(F)F)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236204	1	38	-1.0	-48.07	324.34	5.33	-42.74
O=C(NC1=CC(C(F)F)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020236205	0	35	-1.0	-51.32	305.77	4.35	-46.97
O=C(NC1=CC(C(F)F)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020236205	1	35	-1.0	-51.32	305.82	4.37	-46.95
CSCC[C@H](NC(=O)NC1=CC(C(F)F)=CC=C1F)C1=N[N-]N=N1	REAL300020236206	0	38	-1.0	-53.00	351.28	4.38	-48.62
CSCC[C@H](NC(=O)NC1=CC(C(F)F)=CC=C1F)C1=NN=N[N-]1	REAL300020236206	1	38	-1.0	-53.02	351.33	4.40	-48.62
O=C(NC1=CC(C(F)F)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020236207	0	35	-1.0	-48.08	309.92	4.46	-43.62
O=C(NC1=CC(C(F)F)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020236207	1	35	-1.0	-48.06	309.99	4.48	-43.58
O=C(NC1=CC(C(F)F)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020236208	0	41	-1.0	-53.18	331.75	6.21	-46.97
O=C(NC1=CC(C(F)F)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020236208	1	41	-1.0	-53.18	331.81	6.21	-46.97
CC1=CC(OC2=CC=CC(F)=C2NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1	REAL300020236209	0	49	-1.0	-57.06	406.12	7.75	-49.31
CC1=CC(OC2=CC=CC(F)=C2NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1	REAL300020236209	1	49	-1.0	-57.08	406.17	7.76	-49.32
CC1=CC(OC2=CC=CC(F)=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL300020236210	0	49	-1.0	-46.74	407.65	7.78	-38.96
CC1=CC(OC2=CC=CC(F)=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020236210	1	49	-1.0	-46.73	407.72	7.80	-38.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(CCCC2)NC1=O	REAL300020236211	0	45	-1.0	-52.37	371.99	4.79	-47.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(CCCC2)NC1=O	REAL300020236211	1	45	-1.0	-52.36	371.93	4.77	-47.59
O=C(NC1=CC2=C(CCCC2)NC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236212	0	45	-1.0	-55.91	349.66	5.03	-50.88
O=C(NC1=CC2=C(CCCC2)NC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236212	1	45	-1.0	-55.99	349.72	5.05	-50.94
O=C(NC1=CC2=C(CCCC2)NC1=O)N1CCCC1C1=N[N-]N=N1	REAL300020236213	0	42	-1.0	-64.19	337.60	3.47	-60.72
O=C(NC1=CC2=C(CCCC2)NC1=O)N1CCCC1C1=NN=N[N-]1	REAL300020236213	1	42	-1.0	-64.14	337.66	3.48	-60.66
CSCC[C@H](NC(=O)NC1=CC2=C(CCCC2)NC1=O)C1=N[N-]N=N1	REAL300020236214	0	45	-1.0	-64.66	381.15	3.41	-61.25
CSCC[C@H](NC(=O)NC1=CC2=C(CCCC2)NC1=O)C1=NN=N[N-]1	REAL300020236214	1	45	-1.0	-64.66	381.20	3.42	-61.24
O=C(NC1=CC2=C(CCCC2)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236215	0	42	-1.0	-56.57	338.52	3.88	-52.69
O=C(NC1=CC2=C(CCCC2)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236215	1	42	-1.0	-56.62	338.60	3.90	-52.72
O=C(NC1=CC2=C(CCCC2)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236216	0	48	-1.0	-58.67	359.55	5.51	-53.16
O=C(NC1=CC2=C(CCCC2)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236216	1	48	-1.0	-58.67	359.57	5.52	-53.15
CN1N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1C(C)(C)C	REAL300020236217	0	46	-1.0	-48.20	375.32	6.91	-41.29
CN1N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1C(C)(C)C	REAL300020236217	1	46	-1.0	-48.21	375.26	6.88	-41.33
CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1C(C)(C)C	REAL300020236218	0	46	-1.0	-50.52	356.14	6.44	-44.08
CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1C(C)(C)C	REAL300020236218	1	46	-1.0	-50.53	356.08	6.42	-44.11
CN1N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C1C(C)(C)C	REAL300020236219	0	43	-1.0	-61.23	340.58	5.51	-55.72
CN1N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C1C(C)(C)C	REAL300020236219	1	43	-1.0	-61.22	340.52	5.50	-55.72
CSCC[C@H](NC(=O)NC1=NN(C)C(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300020236220	0	46	-1.0	-53.88	384.20	5.48	-48.40
CSCC[C@H](NC(=O)NC1=NN(C)C(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300020236220	1	46	-1.0	-53.95	384.14	5.47	-48.48
CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1C(C)(C)C	REAL300020236221	0	43	-1.0	-50.10	342.17	5.59	-44.51
CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1C(C)(C)C	REAL300020236221	1	43	-1.0	-50.13	342.10	5.57	-44.56
CN1N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1C(C)(C)C	REAL300020236222	0	49	-1.0	-57.42	364.61	7.31	-50.11
CN1N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1C(C)(C)C	REAL300020236222	1	49	-1.0	-57.40	364.56	7.29	-50.11
CCC1=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C	REAL300020236223	0	40	-1.0	-56.38	343.74	6.15	-50.23
CCC1=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C	REAL300020236223	1	40	-1.0	-56.42	343.68	6.12	-50.30
CCC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C	REAL300020236224	0	40	-1.0	-51.07	324.50	5.65	-45.42
CCC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C	REAL300020236224	1	40	-1.0	-51.10	324.55	5.67	-45.43
CCC1=NC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NN1C	REAL300020236225	0	40	-1.0	-54.71	352.64	4.71	-50.00
CCC1=NC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NN1C	REAL300020236225	1	40	-1.0	-54.68	352.70	4.72	-49.96
CCC1=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020236226	0	43	-1.0	-57.97	332.71	6.52	-51.45
CCC1=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020236226	1	43	-1.0	-57.97	332.75	6.53	-51.44
CCOC(=O)CC(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020236227	0	43	-1.0	-45.82	380.95	4.94	-40.88
CCOC(=O)CC(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020236227	1	43	-1.0	-45.86	381.01	4.96	-40.90
CCOC(=O)CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020236228	0	43	-1.0	-46.84	361.50	4.54	-42.30
CCOC(=O)CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020236228	1	43	-1.0	-46.86	361.55	4.56	-42.30
CCOC(=O)CC(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020236229	0	40	-1.0	-59.15	346.34	3.56	-55.59
CCOC(=O)CC(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020236229	1	40	-1.0	-59.16	346.40	3.58	-55.58
CCOC(=O)CC(NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(F)(F)F	REAL300020236230	0	43	-1.0	-50.62	389.93	3.53	-47.09
CCOC(=O)CC(NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(F)(F)F	REAL300020236230	1	43	-1.0	-50.61	389.99	3.55	-47.06
CCOC(=O)CC(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020236231	0	40	-1.0	-47.47	347.79	3.65	-43.82
CCOC(=O)CC(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020236231	1	40	-1.0	-47.46	347.87	3.65	-43.81
CCOC(=O)CC(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020236232	0	46	-1.0	-55.02	369.96	5.38	-49.64
CCOC(=O)CC(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020236232	1	46	-1.0	-55.06	370.02	5.40	-49.66
CCCC(C(=O)OCC)N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020236233	0	53	-1.0	-45.52	417.85	6.81	-38.71
CCCC(C(=O)OCC)N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020236233	1	53	-1.0	-45.53	417.80	6.79	-38.74
CCCC(C(=O)OCC)N1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020236234	0	50	-1.0	-56.61	405.61	6.06	-50.55
CCCC(C(=O)OCC)N1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020236234	1	50	-1.0	-56.57	405.55	6.04	-50.53
CCCC(C(=O)OCC)N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020236235	0	50	-1.0	-45.62	407.10	6.10	-39.52
CCCC(C(=O)OCC)N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020236235	1	50	-1.0	-45.64	407.02	6.09	-39.55
COCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(F)(F)F	REAL300020236236	0	45	-1.0	-41.49	368.41	5.07	-36.42
COCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(F)(F)F	REAL300020236236	1	45	-1.0	-41.49	368.47	5.09	-36.40
COCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020236237	0	42	-1.0	-52.56	354.31	4.11	-48.45
COCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020236237	1	42	-1.0	-52.55	354.36	4.12	-48.43
COCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020236238	0	42	-1.0	-42.50	355.84	4.15	-38.35
COCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020236238	1	42	-1.0	-42.47	355.91	4.17	-38.30
COCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020236239	0	48	-1.0	-39.91	382.26	5.19	-34.72
COCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020236239	1	48	-1.0	-39.49	382.30	5.20	-34.29
CN1CCC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2C1=O	REAL300020236240	0	46	-1.0	-55.46	382.68	5.29	-50.17
CN1CCC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2C1=O	REAL300020236240	1	46	-1.0	-55.43	382.63	5.27	-50.16
CN1CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2C1=O	REAL300020236241	0	46	-1.0	-46.89	363.16	4.88	-42.01
CN1CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2C1=O	REAL300020236241	1	46	-1.0	-46.92	363.21	4.89	-42.03
CN1CCC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2C1=O	REAL300020236242	0	43	-1.0	-55.57	348.15	3.91	-51.66
CN1CCC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2C1=O	REAL300020236242	1	43	-1.0	-55.59	348.20	3.92	-51.67
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CCN(C)C2=O)C1=N[N-]N=N1	REAL300020236243	0	46	-1.0	-48.98	391.67	3.87	-45.11
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CCN(C)C2=O)C1=NN=N[N-]1	REAL300020236243	1	46	-1.0	-49.01	391.73	3.89	-45.12
CN1CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2C1=O	REAL300020236244	0	43	-1.0	-46.36	349.39	3.98	-42.38
CN1CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2C1=O	REAL300020236244	1	43	-1.0	-46.32	349.47	3.99	-42.33
CN1CCC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2C1=O	REAL300020236245	0	49	-1.0	-45.19	377.85	5.03	-40.16
CN1CCC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2C1=O	REAL300020236245	1	49	-1.0	-45.21	377.90	5.04	-40.17
O=C(NC1=CN=C2C=CC=CN12)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236246	0	38	-1.0	-47.80	329.34	6.22	-41.58
O=C(NC1=CN=C2C=CC=CN12)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236246	1	38	-1.0	-47.80	329.28	6.20	-41.60
O=C(NC1=CN=C2C=CC=CN12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236247	0	38	-1.0	-49.45	310.16	5.76	-43.69
O=C(NC1=CN=C2C=CC=CN12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236247	1	38	-1.0	-49.41	310.10	5.75	-43.66
CSCC[C@H](NC(=O)NC1=CN=C2C=CC=CN12)C1=NN=N[N-]1	REAL300020236248	0	38	-1.0	-53.79	338.32	4.81	-48.98
CSCC[C@H](NC(=O)NC1=CN=C2C=CC=CN12)C1=N[N-]N=N1	REAL300020236248	1	38	-1.0	-53.76	338.26	4.79	-48.97
O=C(NC1=CN=C2C=CC=CN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020236249	0	41	-1.0	-59.22	318.15	6.62	-52.60
O=C(NC1=CN=C2C=CC=CN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020236249	1	41	-1.0	-59.20	318.11	6.61	-52.59
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(C(F)(F)F)=C1	REAL300020236250	0	41	-1.0	-42.25	362.97	6.50	-35.75
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(C(F)(F)F)=C1	REAL300020236250	1	41	-1.0	-42.22	362.91	6.47	-35.75
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C(F)(F)F)=C1	REAL300020236251	0	41	-1.0	-45.70	344.19	5.95	-39.75
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C(F)(F)F)=C1	REAL300020236251	1	41	-1.0	-45.71	344.25	5.96	-39.75
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020236252	0	38	-1.0	-50.66	328.93	5.09	-45.57
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020236252	1	38	-1.0	-50.65	328.99	5.10	-45.55
CSCC[C@H](NC(=O)NC1=CC(C)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020236253	0	41	-1.0	-47.31	372.44	4.99	-42.32
CSCC[C@H](NC(=O)NC1=CC(C)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020236253	1	41	-1.0	-47.30	372.50	5.01	-42.29
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020236254	0	38	-1.0	-41.66	330.36	5.14	-36.52
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020236254	1	38	-1.0	-41.63	330.43	5.15	-36.48
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020236255	0	44	-1.0	-40.40	356.64	6.09	-34.31
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020236255	1	44	-1.0	-40.37	356.68	6.11	-34.26
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236256	0	42	-2.0	-93.25	384.64	5.47	-87.78
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236256	1	42	-2.0	-93.29	384.70	5.50	-87.79
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236257	0	42	-2.0	-95.58	367.64	5.35	-90.23
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236257	1	42	-2.0	-95.55	367.69	5.37	-90.18
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020236258	0	39	-2.0	-119.34	351.83	4.25	-115.09
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020236258	1	39	-2.0	-119.33	351.89	4.26	-115.07
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020236259	0	42	-2.0	-108.67	393.61	4.06	-104.61
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020236259	1	42	-2.0	-108.65	393.67	4.07	-104.58
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236260	0	39	-2.0	-97.32	352.57	4.30	-93.02
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236260	1	39	-2.0	-97.33	352.64	4.32	-93.01
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236261	0	45	-2.0	-115.91	376.25	6.34	-109.57
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236261	1	45	-2.0	-115.95	376.30	6.34	-109.61
CSC1=CC=CC(NC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)N=C2)=C1	REAL300020236262	0	47	-1.0	-62.96	396.19	6.37	-56.59
CSC1=CC=CC(NC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)N=C2)=C1	REAL300020236262	1	47	-1.0	-63.00	396.13	6.36	-56.64
CSC1=CC=CC(NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2)=C1	REAL300020236263	0	47	-1.0	-51.07	396.46	6.38	-44.69
CSC1=CC=CC(NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2)=C1	REAL300020236263	1	47	-1.0	-51.05	396.38	6.37	-44.68
O=C(NC1=CC=C(C2=CC=C(Cl)S2)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236264	0	40	-1.0	-41.97	358.96	5.59	-36.38
O=C(NC1=CC=C(C2=CC=C(Cl)S2)N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236264	1	40	-1.0	-41.95	359.01	5.61	-36.34
O=C(NC1=CC=C(C2=CC=C(Cl)S2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020236265	0	37	-1.0	-63.96	346.45	5.11	-58.85
O=C(NC1=CC=C(C2=CC=C(Cl)S2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020236265	1	37	-1.0	-63.96	346.51	5.12	-58.84
O=C(NC1=CC=C(C2=CC=C(Cl)S2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236266	0	37	-1.0	-52.47	347.97	5.16	-47.31
O=C(NC1=CC=C(C2=CC=C(Cl)S2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236266	1	37	-1.0	-52.46	348.04	5.18	-47.28
CC1=CC(Br)=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236267	0	38	-1.0	-44.22	337.81	6.22	-38.00
CC1=CC(Br)=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236267	1	38	-1.0	-44.23	337.87	6.23	-38.00
CC1=CC(Br)=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236268	0	35	-1.0	-52.44	322.40	5.31	-47.13
CC1=CC(Br)=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236268	1	35	-1.0	-52.40	322.46	5.32	-47.08
CC1=CC(Br)=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236269	0	35	-1.0	-44.08	323.77	5.36	-38.72
CC1=CC(Br)=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236269	1	35	-1.0	-44.06	323.84	5.38	-38.68
CCN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020236270	0	38	-1.0	-44.38	326.66	4.41	-39.97
CCN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020236270	1	38	-1.0	-44.39	326.61	4.38	-40.01
CCN1C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020236271	0	38	-1.0	-48.78	335.64	2.98	-45.80
CCN1C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020236271	1	38	-1.0	-48.81	335.59	2.97	-45.84
CCN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020236272	0	41	-1.0	-50.53	315.43	4.80	-45.73
CCN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020236272	1	41	-1.0	-50.55	315.39	4.79	-45.76
CCN1N=CC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236273	0	41	-1.0	-42.35	345.78	4.75	-37.60
CCN1N=CC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236273	1	41	-1.0	-42.34	345.72	4.73	-37.61
CCN1N=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236274	0	41	-1.0	-44.23	326.94	4.23	-40.00
CCN1N=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236274	1	41	-1.0	-44.27	326.88	4.22	-40.05
CCN1N=CC(C)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020236275	0	41	-1.0	-45.68	352.22	3.30	-42.38
CCN1N=CC(C)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020236275	1	41	-1.0	-45.65	352.16	3.29	-42.36
CCN1N=CC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236276	0	44	-1.0	-35.85	323.58	5.48	-30.37
CCN1N=CC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236276	1	44	-1.0	-35.84	323.53	5.47	-30.37
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020236277	0	38	-1.0	-52.80	338.61	5.90	-46.90
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020236277	1	38	-1.0	-52.76	338.55	5.87	-46.89
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020236278	0	38	-1.0	-42.48	319.68	5.37	-37.11
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020236278	1	38	-1.0	-42.50	319.74	5.38	-37.12
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020236279	0	35	-1.0	-51.29	304.21	4.47	-46.82
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020236279	1	35	-1.0	-51.31	304.27	4.48	-46.83
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(C)=C1)C1=N[N-]N=N1	REAL300020236280	0	38	-1.0	-46.82	347.73	4.43	-42.39
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(C)=C1)C1=NN=N[N-]1	REAL300020236280	1	38	-1.0	-46.82	347.79	4.44	-42.38
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020236281	0	35	-1.0	-42.99	305.58	4.53	-38.46
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020236281	1	35	-1.0	-43.02	305.66	4.54	-38.48
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020236282	0	41	-1.0	-38.78	333.99	5.57	-33.21
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020236282	1	41	-1.0	-38.78	334.04	5.59	-33.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2C(=C1)C=CNC2=O	REAL300020236283	0	41	-1.0	-46.76	354.35	4.01	-42.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2C(=C1)C=CNC2=O	REAL300020236283	1	41	-1.0	-46.80	354.30	3.99	-42.81
O=C(NC1=CC=C2C(=C1)C=CNC2=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236284	0	41	-1.0	-48.89	334.93	3.58	-45.31
O=C(NC1=CC=C2C(=C1)C=CNC2=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236284	1	41	-1.0	-48.86	334.99	3.59	-45.27
O=C(NC1=CC=C2C(=C1)C=CNC2=O)N1CCCC1C1=N[N-]N=N1	REAL300020236285	0	38	-1.0	-56.58	319.87	2.61	-53.97
O=C(NC1=CC=C2C(=C1)C=CNC2=O)N1CCCC1C1=NN=N[N-]1	REAL300020236285	1	38	-1.0	-56.55	319.93	2.63	-53.92
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C=CNC2=O)C1=N[N-]N=N1	REAL300020236286	0	41	-1.0	-50.42	363.05	2.61	-47.81
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C=CNC2=O)C1=NN=N[N-]1	REAL300020236286	1	41	-1.0	-50.41	363.11	2.62	-47.79
O=C(NC1=CC=C2C(=C1)C=CNC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236287	0	38	-1.0	-48.12	321.20	2.67	-45.45
O=C(NC1=CC=C2C(=C1)C=CNC2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236287	1	38	-1.0	-48.11	321.28	2.69	-45.42
O=C(NC1=CC=C2C(=C1)C=CNC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236288	0	44	-1.0	-52.81	343.21	4.43	-48.38
O=C(NC1=CC=C2C(=C1)C=CNC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236288	1	44	-1.0	-52.80	343.27	4.45	-48.35
C[N@H+](CC1=CC=C2N=C(NC(=O)N3CCCC3C3=NN=N[N-]3)SC2=C1)C1CC1	REAL300020236289	0	50	0.0	-83.93	409.97	7.70	-76.23
C[N@@H+](CC1=CC=C2N=C(NC(=O)N3CCCC3C3=NN=N[N-]3)SC2=C1)C1CC1	REAL300020236289	1	50	0.0	-84.99	410.10	7.72	-77.27
C[N@H+](CC1=CC=C2N=C(NC(=O)N3CCCC3C3=N[N-]N=N3)SC2=C1)C1CC1	REAL300020236289	1	50	0.0	-83.95	409.91	7.67	-76.28
C[N@@H+](CC1=CC=C2N=C(NC(=O)N3CCCC3C3=N[N-]N=N3)SC2=C1)C1CC1	REAL300020236289	1	50	0.0	-85.00	410.04	7.70	-77.30
C[N@H+](CC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)SC2=C1)C1CC1	REAL300020236289	1	49	-1.0	-126.96	408.50	6.64	-120.32
C[N@@H+](CC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)SC2=C1)C1CC1	REAL300020236289	1	49	-1.0	-128.03	408.63	6.67	-121.36
C[N@H+](CC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)SC2=C1)C1CC1	REAL300020236289	1	49	-1.0	-126.93	408.56	6.67	-120.26
C[N@@H+](CC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)SC2=C1)C1CC1	REAL300020236289	1	49	-1.0	-128.00	408.69	6.68	-121.32
C[N@H+](CC1=CC=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C1)C1CC1	REAL300020236290	0	50	0.0	-76.30	411.44	7.77	-68.53
C[N@@H+](CC1=CC=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C1)C1CC1	REAL300020236290	1	50	0.0	-76.88	411.57	7.78	-69.10
C[N@H+](CC1=CC=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C1)C1CC1	REAL300020236290	1	50	0.0	-76.29	411.36	7.76	-68.53
C[N@@H+](CC1=CC=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C1)C1CC1	REAL300020236290	1	50	0.0	-76.88	411.50	7.77	-69.11
O=C([N-]C1=NC(C2CC2)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236291	0	36	-2.0	-96.18	332.39	3.57	-92.61
O=C([N-]C1=NC(C2CC2)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236291	1	36	-2.0	-96.17	332.33	3.54	-92.63
O=C([N-]C1=NC(C2CC2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236292	0	36	-2.0	-88.22	315.35	3.44	-84.78
O=C([N-]C1=NC(C2CC2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236292	1	36	-2.0	-88.25	315.41	3.45	-84.80
O=C([N-]C1=NC(C2CC2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020236293	0	33	-2.0	-108.27	299.53	2.32	-105.95
O=C([N-]C1=NC(C2CC2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020236293	1	33	-2.0	-108.24	299.59	2.34	-105.90
CSCC[C@H](NC(=O)[N-]C1=NC(C2CC2)=NS1)C1=N[N-]N=N1	REAL300020236294	0	36	-2.0	-98.72	341.29	2.14	-96.58
CSCC[C@H](NC(=O)[N-]C1=NC(C2CC2)=NS1)C1=NN=N[N-]1	REAL300020236294	1	36	-2.0	-98.69	341.35	2.15	-96.54
O=C([N-]C1=NC(C2CC2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236295	0	33	-2.0	-88.12	300.27	2.36	-85.76
O=C([N-]C1=NC(C2CC2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236295	1	33	-2.0	-88.09	300.34	2.37	-85.72
O=C([N-]C1=NC(C2CC2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236296	0	39	-2.0	-93.62	327.54	4.12	-89.50
O=C([N-]C1=NC(C2CC2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236296	1	39	-2.0	-93.65	327.60	4.12	-89.53
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC(Br)=C1F	REAL300020236297	0	38	-1.0	-41.14	327.21	5.82	-35.32
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC(Br)=C1F	REAL300020236297	1	38	-1.0	-41.18	327.27	5.84	-35.34
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC(Br)=C1F	REAL300020236298	0	35	-1.0	-49.49	313.16	4.93	-44.56
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC(Br)=C1F	REAL300020236298	1	35	-1.0	-49.53	313.22	4.94	-44.59
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC(Br)=C1F	REAL300020236299	0	35	-1.0	-40.86	313.53	4.93	-35.93
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC(Br)=C1F	REAL300020236299	1	35	-1.0	-40.87	313.61	4.95	-35.92
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC(Br)=C1F	REAL300020236300	0	41	-1.0	-45.49	335.82	6.64	-38.85
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC(Br)=C1F	REAL300020236300	1	41	-1.0	-45.53	335.87	6.64	-38.89
O=C(NC1=CC=CC(CN2CCCS2(=O)=O)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236301	0	47	-1.0	-62.65	391.91	2.41	-60.24
O=C(NC1=CC=CC(CN2CCCS2(=O)=O)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236301	1	47	-1.0	-62.68	391.97	2.43	-60.25
O=C(NC1=CC=CC(CN2CCCS2(=O)=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236302	0	47	-1.0	-50.29	393.24	2.47	-47.82
O=C(NC1=CC=CC(CN2CCCS2(=O)=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236302	1	47	-1.0	-50.34	393.32	2.48	-47.86
CC1=C(C(C)C)N=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020236303	0	42	-2.0	-89.27	368.25	4.45	-84.82
CC1=C(C(C)C)N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020236303	1	43	-1.0	-40.72	370.10	5.59	-35.13
CC1=C(C(C)C)N=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020236303	1	42	-2.0	-89.24	368.20	4.42	-84.82
CC1=C(C(C)C)N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020236303	1	43	-1.0	-40.67	370.05	5.57	-35.10
CC1=C(C(C)C)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020236304	0	43	-1.0	-42.45	352.28	5.18	-37.27
CC1=C(C(C)C)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020236304	1	43	-1.0	-42.47	352.33	5.19	-37.28
CC1=C(C(C)C)N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020236305	0	40	-1.0	-49.96	335.41	4.20	-45.76
CC1=C(C(C)C)N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020236305	1	40	-1.0	-49.99	335.47	4.21	-45.78
CSCC[C@H](NC(=O)NC1=NC(C(C)C)=C(C)S1)C1=N[N-]N=N1	REAL300020236306	0	43	-1.0	-44.09	379.02	4.16	-39.93
CSCC[C@H](NC(=O)NC1=NC(C(C)C)=C(C)S1)C1=NN=N[N-]1	REAL300020236306	1	43	-1.0	-44.06	379.08	4.18	-39.88
CC1=C(C(C)C)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020236307	0	40	-1.0	-41.19	338.26	4.31	-36.88
CC1=C(C(C)C)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020236307	1	40	-1.0	-41.14	338.33	4.32	-36.82
CC1=C(C(C)C)N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020236308	0	46	-1.0	-46.25	359.26	5.98	-40.27
CC1=C(C(C)C)N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020236308	1	46	-1.0	-46.27	359.30	6.00	-40.27
CSC1=CC(Cl)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236309	0	39	-1.0	-40.02	356.84	6.44	-33.58
CSC1=CC(Cl)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236309	1	39	-1.0	-39.96	356.78	6.41	-33.55
CSC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236310	0	39	-1.0	-41.84	338.03	5.93	-35.91
CSC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236310	1	39	-1.0	-41.86	338.09	5.95	-35.91
CSC1=CC(Cl)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236311	0	36	-1.0	-51.53	323.49	5.05	-46.48
CSC1=CC(Cl)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236311	1	36	-1.0	-51.58	323.55	5.07	-46.51
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1SC)C1=N[N-]N=N1	REAL300020236312	0	39	-1.0	-44.80	367.03	5.02	-39.78
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1SC)C1=NN=N[N-]1	REAL300020236312	1	39	-1.0	-44.80	367.09	5.04	-39.76
CSC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236313	0	36	-1.0	-41.31	324.00	5.08	-36.23
CSC1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236313	1	36	-1.0	-41.30	324.07	5.09	-36.21
CSC1=CC(Cl)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236314	0	42	-1.0	-39.67	348.47	6.08	-33.59
CSC1=CC(Cl)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236314	1	42	-1.0	-39.69	348.50	6.10	-33.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2C(=C1)CCNC2=O	REAL300020236315	0	43	-1.0	-57.79	362.32	3.29	-54.50
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2C(=C1)CCNC2=O	REAL300020236315	1	43	-1.0	-57.83	362.26	3.26	-54.57
O=C(NC1=CC=C2C(=C1)CCNC2=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236316	0	43	-1.0	-46.62	343.40	2.77	-43.85
O=C(NC1=CC=C2C(=C1)CCNC2=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236316	1	43	-1.0	-46.61	343.46	2.79	-43.82
O=C(NC1=CC=C2C(=C1)CCNC2=O)N1CCCC1C1=N[N-]N=N1	REAL300020236317	0	40	-1.0	-61.22	328.30	1.81	-59.41
O=C(NC1=CC=C2C(=C1)CCNC2=O)N1CCCC1C1=NN=N[N-]1	REAL300020236317	1	40	-1.0	-61.21	328.36	1.83	-59.38
CSCC[C@H](NC(=O)NC1=CC=C2C(=O)NCCC2=C1)C1=N[N-]N=N1	REAL300020236318	0	43	-1.0	-54.08	371.48	1.81	-52.27
CSCC[C@H](NC(=O)NC1=CC=C2C(=O)NCCC2=C1)C1=NN=N[N-]1	REAL300020236318	1	43	-1.0	-54.08	371.54	1.82	-52.26
O=C(NC1=CC=C2C(=C1)CCNC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236319	0	40	-1.0	-46.19	329.63	1.89	-44.30
O=C(NC1=CC=C2C(=C1)CCNC2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236319	1	40	-1.0	-46.21	329.70	1.90	-44.31
O=C(NC1=CC=C2C(=C1)CCNC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236320	0	46	-1.0	-57.63	351.65	3.63	-54.00
O=C(NC1=CC=C2C(=C1)CCNC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236320	1	46	-1.0	-57.62	351.70	3.65	-53.97
CSC1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236321	0	39	-1.0	-39.78	350.14	6.06	-33.72
CSC1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236321	1	39	-1.0	-39.79	350.09	6.03	-33.76
CSC1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236322	0	39	-1.0	-40.90	331.27	5.57	-35.33
CSC1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236322	1	39	-1.0	-40.90	331.32	5.58	-35.32
CSC1=C(F)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236323	0	36	-1.0	-48.96	316.67	4.68	-44.28
CSC1=C(F)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236323	1	36	-1.0	-48.99	316.73	4.70	-44.29
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1SC)C1=N[N-]N=N1	REAL300020236324	0	39	-1.0	-43.62	360.35	4.65	-38.97
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1SC)C1=NN=N[N-]1	REAL300020236324	1	39	-1.0	-43.63	360.40	4.67	-38.96
CSC1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236325	0	36	-1.0	-40.75	318.20	4.71	-36.04
CSC1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236325	1	36	-1.0	-40.73	318.27	4.72	-36.01
CSC1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236326	0	42	-1.0	-45.16	340.03	6.45	-38.71
CSC1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236326	1	42	-1.0	-45.18	340.09	6.46	-38.72
CCN(C(C)=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020236327	0	47	-1.0	-50.22	396.86	4.98	-45.24
CCN(C(C)=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020236327	1	47	-1.0	-50.22	396.80	4.96	-45.26
CCN(C(C)=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020236328	0	47	-1.0	-48.42	368.76	4.88	-43.54
CCN(C(C)=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020236328	1	47	-1.0	-48.43	368.71	4.87	-43.56
CCN(C(C)=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020236329	0	44	-1.0	-60.32	354.29	4.09	-56.23
CCN(C(C)=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020236329	1	44	-1.0	-60.34	354.23	4.07	-56.27
CCN(C(C)=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020236330	0	47	-1.0	-54.40	406.48	3.63	-50.77
CCN(C(C)=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020236330	1	47	-1.0	-54.42	406.42	3.62	-50.80
CCN(C(C)=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020236331	0	44	-1.0	-50.57	356.23	4.43	-46.14
CCN(C(C)=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020236331	1	44	-1.0	-50.58	356.16	4.42	-46.16
CCN(C(C)=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020236332	0	50	-1.0	-52.39	384.84	5.40	-46.99
CCN(C(C)=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020236332	1	50	-1.0	-52.36	384.80	5.39	-46.97
CC(C)(C)OC(=O)C1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236333	0	49	-1.0	-47.33	403.73	6.04	-41.29
CC(C)(C)OC(=O)C1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236333	1	49	-1.0	-47.34	403.67	6.01	-41.33
CC(C)(C)OC(=O)C1=NC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236334	0	49	-1.0	-43.30	384.94	5.60	-37.70
CC(C)(C)OC(=O)C1=NC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236334	1	49	-1.0	-43.33	384.88	5.58	-37.75
CC(C)(C)OC(=O)C1=NC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236335	0	46	-1.0	-53.69	369.49	4.71	-48.98
CC(C)(C)OC(=O)C1=NC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236335	1	46	-1.0	-53.68	369.43	4.69	-48.99
CSCC[C@H](NC(=O)NC1=CC=CN=C1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020236336	0	49	-1.0	-45.50	413.15	4.66	-40.84
CSCC[C@H](NC(=O)NC1=CC=CN=C1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020236336	1	49	-1.0	-45.51	413.09	4.65	-40.86
CC(C)(C)OC(=O)C1=NC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236337	0	46	-1.0	-43.88	371.30	4.69	-39.19
CC(C)(C)OC(=O)C1=NC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236337	1	46	-1.0	-43.88	371.22	4.67	-39.21
CC(C)(C)OC(=O)C1=NC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236338	0	52	-1.0	-49.66	392.39	6.50	-43.16
CC(C)(C)OC(=O)C1=NC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236338	1	52	-1.0	-49.63	392.34	6.50	-43.13
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N(C)N=C1	REAL300020236339	0	38	-1.0	-44.34	325.15	3.85	-40.49
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N(C)N=C1	REAL300020236339	1	38	-1.0	-44.31	325.09	3.82	-40.49
CSCC[C@H](NC(=O)NC1=C(C)C=NN1C)C1=NN=N[N-]1	REAL300020236340	0	38	-1.0	-45.62	330.34	2.36	-43.26
CSCC[C@H](NC(=O)NC1=C(C)C=NN1C)C1=N[N-]N=N1	REAL300020236340	1	38	-1.0	-45.59	330.29	2.34	-43.25
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N(C)N=C1	REAL300020236341	0	41	-1.0	-50.32	313.03	4.19	-46.13
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N(C)N=C1	REAL300020236341	1	41	-1.0	-50.31	312.98	4.18	-46.13
COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020236342	0	38	-1.0	-46.45	331.53	3.25	-43.20
COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020236342	1	38	-1.0	-46.47	331.48	3.23	-43.24
COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020236343	0	38	-1.0	-42.93	309.67	1.87	-41.06
COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020236343	1	38	-1.0	-42.89	309.62	1.85	-41.04
COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020236344	0	38	-1.0	-52.35	340.54	1.83	-50.52
COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020236344	1	38	-1.0	-52.34	340.48	1.81	-50.53
COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020236345	0	41	-1.0	-53.78	320.44	3.65	-50.13
COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020236345	1	41	-1.0	-53.76	320.41	3.63	-50.13
CS(=O)(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020236346	0	48	-1.0	-55.94	397.61	2.08	-53.86
CS(=O)(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020236346	1	48	-1.0	-55.94	397.66	2.10	-53.84
CS(=O)(=O)CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020236347	0	45	-1.0	-64.65	383.47	1.17	-63.48
CS(=O)(=O)CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020236347	1	45	-1.0	-64.72	383.53	1.18	-63.54
CS(=O)(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020236348	0	45	-1.0	-56.04	385.18	1.20	-54.84
CS(=O)(=O)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020236348	1	45	-1.0	-56.04	385.25	1.20	-54.84
O=C(NC1=CC=C(N2C=CC=CC2=O)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236349	0	45	-1.0	-49.86	373.09	6.59	-43.27
O=C(NC1=CC=C(N2C=CC=CC2=O)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236349	1	45	-1.0	-49.88	373.15	6.61	-43.27
O=C(NC1=CC=C(N2C=CC=CC2=O)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020236350	0	42	-1.0	-63.22	357.86	5.62	-57.60
O=C(NC1=CC=C(N2C=CC=CC2=O)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020236350	1	42	-1.0	-63.21	357.91	5.65	-57.56
O=C(NC1=CC=C(N2C=CC=CC2=O)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020236351	0	42	-1.0	-52.44	359.25	5.68	-46.76
O=C(NC1=CC=C(N2C=CC=CC2=O)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020236351	1	42	-1.0	-52.50	359.32	5.70	-46.80
O=C(NC1=CC=C(N2C=CC=CC2=O)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020236352	0	48	-1.0	-54.95	380.81	7.52	-47.43
O=C(NC1=CC=C(N2C=CC=CC2=O)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020236352	1	48	-1.0	-54.91	380.86	7.53	-47.38
CSC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236353	0	39	-1.0	-54.58	356.93	6.43	-48.15
CSC1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020236353	1	39	-1.0	-54.58	356.88	6.40	-48.18
CSC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236354	0	39	-1.0	-44.48	339.36	5.93	-38.55
CSC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236354	1	39	-1.0	-44.49	339.41	5.95	-38.54
CSC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020236355	0	36	-1.0	-56.25	323.66	5.05	-51.20
CSC1=CC=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020236355	1	36	-1.0	-56.27	323.72	5.07	-51.20
CSCC[C@H](NC(=O)NC1=CC(SC)=CC=C1Cl)C1=N[N-]N=N1	REAL300020236356	0	39	-1.0	-49.01	366.28	4.98	-44.03
CSCC[C@H](NC(=O)NC1=CC(SC)=CC=C1Cl)C1=NN=N[N-]1	REAL300020236356	1	39	-1.0	-49.00	366.34	4.99	-44.01
CSC1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020236357	0	36	-1.0	-44.40	325.00	5.09	-39.31
CSC1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020236357	1	36	-1.0	-44.39	325.07	5.11	-39.28
CSC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236358	0	42	-1.0	-49.82	346.93	6.83	-42.99
CSC1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236358	1	42	-1.0	-49.78	346.99	6.84	-42.94
NC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020236359	0	39	-1.0	-49.90	343.77	3.53	-46.37
NC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020236359	1	39	-1.0	-49.90	343.71	3.51	-46.39
NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020236360	0	39	-1.0	-44.83	322.90	3.01	-41.82
NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020236360	1	39	-1.0	-44.85	322.96	3.02	-41.83
NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020236361	0	36	-1.0	-50.57	309.34	2.11	-48.46
NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020236361	1	36	-1.0	-50.57	309.40	2.12	-48.45
CSCC[C@H](NC(=O)NC1=CC=C(N)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020236362	0	39	-1.0	-45.57	352.72	2.06	-43.51
CSCC[C@H](NC(=O)NC1=CC=C(N)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020236362	1	39	-1.0	-45.57	352.78	2.08	-43.49
NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020236363	0	36	-1.0	-53.88	308.50	2.18	-51.70
NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020236363	1	36	-1.0	-53.84	308.57	2.20	-51.64
NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020236364	0	42	-1.0	-41.59	336.97	3.15	-38.44
NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020236364	1	42	-1.0	-41.58	337.00	3.17	-38.41
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)(F)F)=N1	REAL300020236365	0	41	-1.0	-45.65	366.27	3.06	-42.59
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(F)(F)F)=N1	REAL300020236365	1	41	-1.0	-45.66	366.21	3.04	-42.62
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=N1	REAL300020236366	0	41	-1.0	-40.25	347.06	2.58	-37.67
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=N1	REAL300020236366	1	41	-1.0	-40.23	347.01	2.57	-37.66
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL300020236367	0	38	-1.0	-47.16	330.29	1.56	-45.60
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL300020236367	1	38	-1.0	-47.12	330.23	1.53	-45.59
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL300020236368	0	41	-1.0	-42.13	373.80	1.51	-40.62
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL300020236368	1	41	-1.0	-42.16	373.75	1.50	-40.66
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020236369	0	38	-1.0	-39.09	331.62	1.62	-37.47
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=N1	REAL300020236369	1	38	-1.0	-39.04	331.55	1.61	-37.43
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL300020236370	0	44	-1.0	-45.46	354.04	3.50	-41.96
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL300020236370	1	44	-1.0	-45.36	353.99	3.49	-41.87
CC(C)CCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020236371	0	44	-2.0	-92.21	385.28	4.53	-87.68
CC(C)CCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020236371	1	44	-2.0	-92.16	385.34	4.55	-87.61
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020236372	0	44	-2.0	-94.48	368.33	4.41	-90.07
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020236372	1	44	-2.0	-94.46	368.39	4.43	-90.03
CC(C)CCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020236373	0	41	-2.0	-118.08	352.49	3.30	-114.78
CC(C)CCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020236373	1	41	-2.0	-118.06	352.55	3.32	-114.74
CSCC[C@H](NC(=O)[N-]C1=NN=C(CCC(C)C)S1)C1=N[N-]N=N1	REAL300020236374	0	44	-2.0	-107.81	394.27	3.11	-104.70
CSCC[C@H](NC(=O)[N-]C1=NN=C(CCC(C)C)S1)C1=NN=N[N-]1	REAL300020236374	1	44	-2.0	-107.77	394.33	3.13	-104.64
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020236375	0	41	-2.0	-96.38	353.24	3.34	-93.04
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020236375	1	41	-2.0	-96.40	353.32	3.36	-93.04
CC(C)CCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020236376	0	47	-2.0	-114.88	376.91	5.39	-109.49
CC(C)CCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020236376	1	47	-2.0	-114.89	376.96	5.40	-109.49
CN1C(Cl)=CN=C1C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020236377	0	41	-1.0	-42.10	364.55	5.43	-36.67
CN1C(Cl)=CN=C1C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020236377	1	41	-1.0	-42.08	364.60	5.45	-36.63
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020236377	1	40	-2.0	-84.78	363.51	4.60	-80.18
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020236377	1	40	-2.0	-84.78	363.57	4.62	-80.16
CN1C(Cl)=CN=C1C1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020236378	0	38	-1.0	-48.50	349.14	4.53	-43.97
CN1C(Cl)=CN=C1C1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020236378	1	38	-1.0	-48.49	349.20	4.55	-43.94
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020236378	1	37	-2.0	-104.63	347.73	3.49	-101.14
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020236378	1	37	-2.0	-104.67	347.79	3.51	-101.16
CN1C(Cl)=CN=C1C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020236379	0	38	-1.0	-41.03	350.59	4.58	-36.45
CN1C(Cl)=CN=C1C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020236379	1	38	-1.0	-41.05	350.67	4.59	-36.46
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020236379	1	37	-2.0	-85.07	348.47	3.54	-81.53
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020236379	1	37	-2.0	-85.06	348.54	3.55	-81.51
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(Br)=C1F	REAL300020236380	0	35	-1.0	-39.65	328.33	5.47	-34.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(Br)=C1F	REAL300020236380	1	35	-1.0	-39.67	328.38	5.50	-34.17
O=C(NC1=CC=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236381	0	35	-1.0	-40.70	310.30	5.01	-35.69
O=C(NC1=CC=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236381	1	35	-1.0	-40.71	310.35	5.03	-35.68
O=C(NC1=CC=CC(Br)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020236382	0	32	-1.0	-48.81	294.19	4.10	-44.71
O=C(NC1=CC=CC(Br)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020236382	1	32	-1.0	-48.81	294.25	4.11	-44.70
CSCC[C@H](NC(=O)NC1=CC=CC(Br)=C1F)C1=N[N-]N=N1	REAL300020236383	0	35	-1.0	-42.56	338.52	4.07	-38.49
CSCC[C@H](NC(=O)NC1=CC=CC(Br)=C1F)C1=NN=N[N-]1	REAL300020236383	1	35	-1.0	-42.58	338.58	4.09	-38.49
O=C(NC1=CC=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020236384	0	32	-1.0	-40.78	296.38	4.15	-36.63
O=C(NC1=CC=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020236384	1	32	-1.0	-40.79	296.45	4.16	-36.63
O=C(NC1=CC=CC(Br)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020236385	0	38	-1.0	-45.34	318.17	5.89	-39.45
O=C(NC1=CC=CC(Br)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020236385	1	38	-1.0	-45.39	318.23	5.89	-39.50
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN=C1C(F)(F)F	REAL300020236386	0	40	-1.0	-41.39	353.89	4.64	-36.75
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN=C1C(F)(F)F	REAL300020236386	1	40	-1.0	-41.36	353.84	4.62	-36.74
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1C(F)(F)F	REAL300020236387	0	40	-1.0	-46.12	334.79	4.08	-42.04
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN=C1C(F)(F)F	REAL300020236387	1	40	-1.0	-46.12	334.74	4.07	-42.05
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL300020236388	0	37	-1.0	-49.90	319.62	3.24	-46.66
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL300020236388	1	37	-1.0	-49.89	319.56	3.23	-46.66
CSCC[C@H](NC(=O)NC1=CN=C(C(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300020236389	0	40	-1.0	-44.20	363.12	3.20	-41.00
CSCC[C@H](NC(=O)NC1=CN=C(C(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300020236389	1	40	-1.0	-44.18	363.06	3.18	-41.00
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1C(F)(F)F	REAL300020236390	0	37	-1.0	-42.44	320.82	3.31	-39.13
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1C(F)(F)F	REAL300020236390	1	37	-1.0	-42.45	320.74	3.30	-39.15
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL300020236391	0	43	-1.0	-50.69	342.87	5.00	-45.69
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL300020236391	1	43	-1.0	-50.69	342.82	4.99	-45.70
CC1=CC=C(C(F)(F)F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236392	0	41	-1.0	-49.30	359.17	6.73	-42.57
CC1=CC=C(C(F)(F)F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020236392	1	41	-1.0	-49.24	359.12	6.71	-42.53
CC1=CC=C(C(F)(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236393	0	41	-1.0	-41.31	338.40	6.22	-35.09
CC1=CC=C(C(F)(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236393	1	41	-1.0	-41.31	338.46	6.23	-35.08
CC1=CC=C(C(F)(F)F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020236394	0	38	-1.0	-50.95	323.84	5.30	-45.65
CC1=CC=C(C(F)(F)F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020236394	1	38	-1.0	-50.98	323.90	5.32	-45.66
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020236395	0	41	-1.0	-44.71	367.36	5.26	-39.45
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020236395	1	41	-1.0	-44.67	367.42	5.28	-39.39
CC1=CC=C(C(F)(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020236396	0	38	-1.0	-41.72	326.14	5.40	-36.32
CC1=CC=C(C(F)(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020236396	1	38	-1.0	-41.76	326.22	5.41	-36.35
CC1=CC=C(C(F)(F)F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236397	0	44	-1.0	-47.32	348.12	7.12	-40.20
CC1=CC=C(C(F)(F)F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236397	1	44	-1.0	-47.35	348.17	7.12	-40.23
CC1=CC=CN2C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN=C12	REAL300020236398	0	41	-1.0	-47.75	350.78	6.82	-40.93
CC1=CC=CN2C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN=C12	REAL300020236398	1	41	-1.0	-47.74	350.73	6.79	-40.95
CC1=CC=CN2C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN=C12	REAL300020236399	0	41	-1.0	-49.24	331.54	6.34	-42.90
CC1=CC=CN2C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN=C12	REAL300020236399	1	41	-1.0	-49.31	331.59	6.36	-42.95
CC1=CC=CN2C(NC(=O)N3CCCC3C3=N[N-]N=N3)=CN=C12	REAL300020236400	0	38	-1.0	-61.81	316.11	5.41	-56.40
CC1=CC=CN2C(NC(=O)N3CCCC3C3=NN=N[N-]3)=CN=C12	REAL300020236400	1	38	-1.0	-61.78	316.17	5.44	-56.34
CSCC[C@H](NC(=O)NC1=CN=C2C(C)=CC=CN12)C1=N[N-]N=N1	REAL300020236401	0	41	-1.0	-53.67	359.70	5.39	-48.28
CSCC[C@H](NC(=O)NC1=CN=C2C(C)=CC=CN12)C1=NN=N[N-]1	REAL300020236401	1	41	-1.0	-53.63	359.76	5.40	-48.23
CC1=CC=CN2C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C12	REAL300020236402	0	38	-1.0	-50.06	317.56	5.47	-44.59
CC1=CC=CN2C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C12	REAL300020236402	1	38	-1.0	-50.05	317.63	5.48	-44.57
CC1=CC=CN2C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C12	REAL300020236403	0	44	-1.0	-59.24	339.58	7.20	-52.04
CC1=CC=CN2C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C12	REAL300020236403	1	44	-1.0	-59.25	339.62	7.22	-52.03
CCC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020236404	0	43	-1.0	-54.97	365.60	6.13	-48.84
CCC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020236404	1	43	-1.0	-54.98	365.54	6.10	-48.88
CCC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020236405	0	43	-1.0	-44.96	345.53	5.59	-39.37
CCC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020236405	1	43	-1.0	-44.98	345.59	5.60	-39.38
CCC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020236406	0	40	-1.0	-58.56	331.55	4.65	-53.91
CCC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020236406	1	40	-1.0	-58.55	331.61	4.67	-53.88
CCC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020236407	0	43	-1.0	-55.70	375.08	4.61	-51.09
CCC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020236407	1	43	-1.0	-55.70	375.14	4.63	-51.07
CCC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020236408	0	40	-1.0	-44.40	332.92	4.71	-39.69
CCC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020236408	1	40	-1.0	-44.35	332.99	4.72	-39.63
CCC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020236409	0	46	-1.0	-41.79	359.22	5.71	-36.08
CCC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020236409	1	46	-1.0	-43.19	359.26	5.73	-37.46
COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020236410	0	42	-1.0	-49.05	348.80	5.05	-44.00
COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020236410	1	42	-1.0	-49.09	348.75	5.03	-44.06
COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020236411	0	42	-1.0	-43.91	329.47	4.56	-39.35
COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020236411	1	42	-1.0	-43.87	329.53	4.57	-39.30
COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020236412	0	39	-1.0	-53.60	314.56	3.60	-50.00
COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020236412	1	39	-1.0	-53.63	314.62	3.62	-50.01
COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020236413	0	42	-1.0	-46.50	357.95	3.57	-42.93
COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020236413	1	42	-1.0	-46.50	358.01	3.59	-42.91
COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020236414	0	39	-1.0	-43.82	315.81	3.68	-40.14
COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020236414	1	39	-1.0	-43.79	315.89	3.69	-40.10
COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020236415	0	45	-1.0	-49.73	338.09	5.38	-44.35
COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020236415	1	45	-1.0	-49.76	338.14	5.39	-44.37
COCC1=NC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020236416	0	40	-1.0	-48.93	349.68	3.21	-45.72
COCC1=NC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020236416	1	40	-1.0	-48.94	349.63	3.19	-45.75
COCC1=NC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020236417	0	40	-1.0	-50.95	330.52	2.71	-48.24
COCC1=NC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020236417	1	40	-1.0	-50.93	330.58	2.73	-48.20
COCC1=NC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020236418	0	37	-1.0	-62.07	315.09	1.80	-60.27
COCC1=NC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020236418	1	37	-1.0	-62.05	315.15	1.82	-60.23
COCC1=NC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020236419	0	40	-1.0	-54.24	358.63	1.77	-52.47
COCC1=NC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020236419	1	40	-1.0	-54.27	358.68	1.79	-52.48
COCC1=NC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020236420	0	37	-1.0	-51.63	316.45	1.87	-49.76
COCC1=NC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020236420	1	37	-1.0	-51.66	316.53	1.87	-49.79
COCC1=NC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020236421	0	43	-1.0	-46.57	343.29	2.74	-43.83
COCC1=NC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020236421	1	43	-1.0	-46.59	343.34	2.73	-43.86
CC(C)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020236422	0	49	-1.0	-49.63	409.01	4.48	-45.15
CC(C)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020236422	1	49	-1.0	-49.64	408.95	4.45	-45.19
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020236423	0	49	-1.0	-41.98	386.79	3.59	-38.39
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=N1	REAL300020236423	1	49	-1.0	-41.92	386.73	3.57	-38.35
CC(C)CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300020236424	0	46	-1.0	-64.71	374.31	3.10	-61.61
CC(C)CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300020236424	1	46	-1.0	-64.70	374.25	3.09	-61.61
CSCC[C@H](NC(=O)NC1=CC=C(OCCC(C)C)N=N1)C1=NN=N[N-]1	REAL300020236425	0	49	-1.0	-56.35	418.01	3.05	-53.30
CSCC[C@H](NC(=O)NC1=CC=C(OCCC(C)C)N=N1)C1=N[N-]N=N1	REAL300020236425	1	49	-1.0	-56.37	417.96	3.04	-53.33
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020236426	0	46	-1.0	-53.01	375.84	3.16	-49.85
CC(C)CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020236426	1	46	-1.0	-52.99	375.77	3.14	-49.85
CC(C)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020236427	0	52	-1.0	-47.95	402.65	4.01	-43.94
CC(C)CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020236427	1	52	-1.0	-47.96	402.60	3.99	-43.97
CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020236428	0	41	-1.0	-46.61	353.39	4.18	-42.43
CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020236428	1	41	-1.0	-46.63	353.33	4.16	-42.47
CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020236429	0	41	-1.0	-42.81	331.53	2.80	-40.01
CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020236429	1	41	-1.0	-42.83	331.47	2.78	-40.05
CCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020236430	0	38	-1.0	-60.51	318.87	2.80	-57.71
CCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020236430	1	38	-1.0	-60.50	318.81	2.77	-57.73
CCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020236431	0	41	-1.0	-52.95	362.39	2.76	-50.19
CCOC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020236431	1	41	-1.0	-52.93	362.33	2.75	-50.18
CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020236432	0	38	-1.0	-49.56	320.25	2.87	-46.69
CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020236432	1	38	-1.0	-49.50	320.17	2.85	-46.65
CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020236433	0	44	-1.0	-54.25	342.21	4.58	-49.67
CCOC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020236433	1	44	-1.0	-54.27	342.17	4.56	-49.71
CN1N=NN=C1C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020236434	0	43	-1.0	-56.20	369.10	4.22	-51.98
CN1N=NN=C1C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020236434	1	43	-1.0	-56.21	369.05	4.20	-52.01
CN1N=NN=C1C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020236435	0	43	-1.0	-47.58	349.97	3.73	-43.85
CN1N=NN=C1C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020236435	1	43	-1.0	-47.61	350.03	3.75	-43.86
CN1N=NN=C1C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020236436	0	40	-1.0	-54.59	334.50	2.79	-51.80
CN1N=NN=C1C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020236436	1	40	-1.0	-54.65	334.56	2.81	-51.84
CSCC[C@H](NC(=O)NC1=CC=C(C2=NN=NN2C)C=C1)C1=N[N-]N=N1	REAL300020236437	0	43	-1.0	-48.17	378.17	2.76	-45.41
CSCC[C@H](NC(=O)NC1=CC=C(C2=NN=NN2C)C=C1)C1=NN=N[N-]1	REAL300020236437	1	43	-1.0	-48.18	378.23	2.78	-45.40
CN1N=NN=C1C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020236438	0	40	-1.0	-46.99	335.94	2.85	-44.14
CN1N=NN=C1C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020236438	1	40	-1.0	-47.00	336.02	2.87	-44.13
CN1N=NN=C1C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020236439	0	46	-1.0	-59.38	355.61	4.68	-54.70
CN1N=NN=C1C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020236439	1	46	-1.0	-59.36	355.64	4.69	-54.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2NC(=O)OCC2=C1	REAL300020236440	0	41	-1.0	-46.38	353.88	2.82	-43.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2NC(=O)OCC2=C1	REAL300020236440	1	41	-1.0	-46.35	353.82	2.79	-43.56
O=C(NC1=CC=C2NC(=O)OCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236441	0	41	-1.0	-46.77	334.58	2.33	-44.44
O=C(NC1=CC=C2NC(=O)OCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236441	1	41	-1.0	-46.74	334.64	2.35	-44.39
O=C(NC1=CC=C2NC(=O)OCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236442	0	38	-1.0	-54.30	319.44	1.39	-52.91
O=C(NC1=CC=C2NC(=O)OCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236442	1	38	-1.0	-54.33	319.50	1.40	-52.93
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)OCC2=C1)C1=N[N-]N=N1	REAL300020236443	0	41	-1.0	-49.50	362.71	1.38	-48.12
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)OCC2=C1)C1=NN=N[N-]1	REAL300020236443	1	41	-1.0	-49.51	362.77	1.39	-48.12
O=C(NC1=CC=C2NC(=O)OCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236444	0	38	-1.0	-47.98	320.57	1.46	-46.52
O=C(NC1=CC=C2NC(=O)OCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236444	1	38	-1.0	-47.98	320.64	1.48	-46.50
O=C(NC1=CC=C2NC(=O)OCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236445	0	44	-1.0	-41.26	347.29	2.45	-38.81
O=C(NC1=CC=C2NC(=O)OCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236445	1	44	-1.0	-41.21	347.29	2.48	-38.73
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1OCC2	REAL300020236446	0	40	-1.0	-45.25	338.68	4.67	-40.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1OCC2	REAL300020236446	1	40	-1.0	-45.20	338.62	4.64	-40.56
O=C(NC1=CC=CC2=C1OCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236447	0	40	-1.0	-44.04	318.51	4.15	-39.89
O=C(NC1=CC=CC2=C1OCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236447	1	40	-1.0	-44.09	318.56	4.16	-39.93
O=C(NC1=CC=CC2=C1OCC2)N1CCCC1C1=N[N-]N=N1	REAL300020236448	0	37	-1.0	-55.48	304.33	3.21	-52.27
O=C(NC1=CC=CC2=C1OCC2)N1CCCC1C1=NN=N[N-]1	REAL300020236448	1	37	-1.0	-55.48	304.39	3.24	-52.24
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OCC2)C1=N[N-]N=N1	REAL300020236449	0	40	-1.0	-48.39	347.87	3.20	-45.19
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OCC2)C1=NN=N[N-]1	REAL300020236449	1	40	-1.0	-48.48	347.93	3.21	-45.27
O=C(NC1=CC=CC2=C1OCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020236450	0	37	-1.0	-44.47	305.70	3.27	-41.20
O=C(NC1=CC=CC2=C1OCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020236450	1	37	-1.0	-44.49	305.78	3.29	-41.20
O=C(NC1=CC=CC2=C1OCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020236451	0	43	-1.0	-50.87	327.58	5.12	-45.75
O=C(NC1=CC=CC2=C1OCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020236451	1	43	-1.0	-50.90	327.64	5.12	-45.78
O=C(NC1=NC=C(CC2=CC(F)=CC(F)=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020236452	0	41	-1.0	-60.55	371.12	6.74	-53.81
O=C(NC1=NC=C(CC2=CC(F)=CC(F)=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020236452	1	41	-1.0	-60.54	371.06	6.71	-53.83
O=C(NC1=NC=C(CC2=CC(F)=CC(F)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236453	0	41	-1.0	-49.62	372.60	6.79	-42.83
O=C(NC1=NC=C(CC2=CC(F)=CC(F)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236453	1	41	-1.0	-49.66	372.53	6.78	-42.88
O=C(NC1=NC=C(CC2=C(F)C=CC=C2F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020236454	0	41	-1.0	-60.52	368.90	6.65	-53.87
O=C(NC1=NC=C(CC2=C(F)C=CC=C2F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020236454	1	41	-1.0	-60.49	368.85	6.64	-53.85
O=C(NC1=NC=C(CC2=C(F)C=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236455	0	41	-1.0	-49.17	370.39	6.71	-42.46
O=C(NC1=NC=C(CC2=C(F)C=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236455	1	41	-1.0	-49.15	370.32	6.69	-42.46
COC1=CC=CC(NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)N=C2)=C1	REAL300020236456	0	50	-1.0	-50.92	400.54	5.51	-45.41
COC1=CC=CC(NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)N=C2)=C1	REAL300020236456	1	50	-1.0	-50.90	400.48	5.50	-45.40
COC1=CC=CC(NC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)N=C2)=C1	REAL300020236457	0	47	-1.0	-63.58	385.47	4.65	-58.93
COC1=CC=CC(NC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)N=C2)=C1	REAL300020236457	1	47	-1.0	-63.59	385.41	4.63	-58.96
COC1=CC=CC(NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2)=C1	REAL300020236458	0	47	-1.0	-51.64	385.75	4.66	-46.98
COC1=CC=CC(NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2)=C1	REAL300020236458	1	47	-1.0	-51.59	385.67	4.64	-46.95
COC1=NNC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236459	0	36	-1.0	-43.96	315.04	0.11	-43.85
COC1=NNC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020236459	1	36	-1.0	-43.96	314.99	0.09	-43.87
COC1=NNC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020236460	0	36	-1.0	-48.12	323.97	-1.33	-49.45
COC1=NNC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020236460	1	36	-1.0	-48.13	324.02	-1.31	-49.44
COC1=NNC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236461	0	39	-1.0	-51.99	303.81	0.49	-51.50
COC1=NNC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236461	1	39	-1.0	-52.01	303.86	0.50	-51.51
O=C(NC1=CN(CCF)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236462	0	38	-1.0	-45.21	333.44	3.53	-41.68
O=C(NC1=CN(CCF)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236462	1	38	-1.0	-45.21	333.39	3.51	-41.70
O=C(NC1=CN(CCF)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236463	0	38	-1.0	-46.40	314.26	3.07	-43.33
O=C(NC1=CN(CCF)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236463	1	38	-1.0	-46.40	314.20	3.06	-43.34
CSCC[C@H](NC(=O)NC1=CN(CCF)N=C1)C1=NN=N[N-]1	REAL300020236464	0	38	-1.0	-50.26	342.43	2.12	-48.14
CSCC[C@H](NC(=O)NC1=CN(CCF)N=C1)C1=N[N-]N=N1	REAL300020236464	1	38	-1.0	-50.26	342.37	2.10	-48.16
O=C(NC1=CN(CCF)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236465	0	41	-1.0	-52.93	322.26	3.95	-48.98
O=C(NC1=CN(CCF)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236465	1	41	-1.0	-52.96	322.22	3.94	-49.02
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(NC2=CC=CC=C2)=N1	REAL300020236466	0	46	-1.0	-60.98	390.06	7.58	-53.40
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(NC2=CC=CC=C2)=N1	REAL300020236466	1	46	-1.0	-60.93	390.00	7.55	-53.38
O=C(NC1=CC=CC(NC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236467	0	46	-1.0	-44.54	369.39	7.52	-37.02
O=C(NC1=CC=CC(NC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236467	1	46	-1.0	-44.57	369.34	7.51	-37.06
O=C(NC1=CC=CC(NC2=CC=CC=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020236468	0	43	-1.0	-52.54	353.10	6.31	-46.23
O=C(NC1=CC=CC(NC2=CC=CC=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020236468	1	43	-1.0	-52.56	353.04	6.30	-46.26
CSCC[C@H](NC(=O)NC1=CC=CC(NC2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020236469	0	46	-1.0	-46.15	396.78	6.27	-39.88
CSCC[C@H](NC(=O)NC1=CC=CC(NC2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020236469	1	46	-1.0	-46.17	396.72	6.26	-39.91
O=C(NC1=CC=CC(NC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236470	0	43	-1.0	-43.24	354.71	6.39	-36.85
O=C(NC1=CC=CC(NC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236470	1	43	-1.0	-43.28	354.63	6.37	-36.91
O=C(NC1=CC=CC(NC2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236471	0	49	-1.0	-45.81	382.63	6.69	-39.12
O=C(NC1=CC=CC(NC2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236471	1	49	-1.0	-45.78	382.57	6.68	-39.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2COCCC2=C1	REAL300020236472	0	43	-1.0	-54.85	356.87	4.88	-49.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2COCCC2=C1	REAL300020236472	1	43	-1.0	-54.85	356.82	4.85	-50.00
O=C(NC1=CC=C2COCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236473	0	43	-1.0	-44.56	337.99	4.38	-40.18
O=C(NC1=CC=C2COCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236473	1	43	-1.0	-44.56	338.04	4.39	-40.17
O=C(NC1=CC=C2COCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236474	0	40	-1.0	-55.86	322.19	3.50	-52.36
O=C(NC1=CC=C2COCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236474	1	40	-1.0	-55.93	322.25	3.51	-52.42
CSCC[C@H](NC(=O)NC1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL300020236475	0	43	-1.0	-48.93	366.03	3.43	-45.50
CSCC[C@H](NC(=O)NC1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL300020236475	1	43	-1.0	-48.91	366.09	3.44	-45.47
O=C(NC1=CC=C2COCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236476	0	40	-1.0	-44.67	323.85	3.52	-41.15
O=C(NC1=CC=C2COCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236476	1	40	-1.0	-44.71	323.92	3.52	-41.19
O=C(NC1=CC=C2COCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236477	0	46	-1.0	-41.88	350.32	4.55	-37.33
O=C(NC1=CC=C2COCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236477	1	46	-1.0	-41.88	350.36	4.55	-37.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCCC=CC2=C1	REAL300020236478	0	46	-1.0	-44.61	374.02	7.85	-36.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCCC=CC2=C1	REAL300020236478	1	46	-1.0	-44.61	373.97	7.82	-36.79
O=C(NC1=CC=C2CCCC=CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236479	0	46	-1.0	-43.95	355.32	7.30	-36.65
O=C(NC1=CC=C2CCCC=CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236479	1	46	-1.0	-43.96	355.37	7.31	-36.65
O=C(NC1=CC=C2CCCC=CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236480	0	43	-1.0	-55.31	339.68	6.42	-48.89
O=C(NC1=CC=C2CCCC=CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236480	1	43	-1.0	-55.28	339.74	6.43	-48.85
CSCC[C@H](NC(=O)NC1=CC=C2CCCC=CC2=C1)C1=N[N-]N=N1	REAL300020236481	0	46	-1.0	-46.77	383.45	6.35	-40.42
CSCC[C@H](NC(=O)NC1=CC=C2CCCC=CC2=C1)C1=NN=N[N-]1	REAL300020236481	1	46	-1.0	-46.81	383.51	6.37	-40.44
O=C(NC1=CC=C2CCCC=CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236482	0	43	-1.0	-43.90	341.02	6.46	-37.44
O=C(NC1=CC=C2CCCC=CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236482	1	43	-1.0	-43.93	341.09	6.47	-37.46
O=C(NC1=CC=C2CCCC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236483	0	49	-1.0	-44.34	370.16	7.46	-36.88
O=C(NC1=CC=C2CCCC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236483	1	49	-1.0	-44.34	370.21	7.48	-36.86
CC1=C(NC(=O)OC(C)(C)C)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236484	0	52	-1.0	-57.92	405.29	4.77	-53.15
CC1=C(NC(=O)OC(C)(C)C)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236484	1	52	-1.0	-57.95	405.35	4.79	-53.16
CC1=C(NC(=O)OC(C)(C)C)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236485	0	52	-1.0	-46.69	406.87	4.81	-41.88
CC1=C(NC(=O)OC(C)(C)C)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236485	1	52	-1.0	-46.73	406.94	4.83	-41.90
O=C(NC1=CC=C(Br)C2=NC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300020236486	0	37	-1.0	-53.86	326.64	4.63	-49.23
O=C(NC1=CC=C(Br)C2=NC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300020236486	1	37	-1.0	-53.90	326.58	4.61	-49.29
O=C(NC1=CC=C(Br)C2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020236487	0	37	-1.0	-45.67	329.01	4.70	-40.97
O=C(NC1=CC=C(Br)C2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020236487	1	37	-1.0	-45.64	328.93	4.68	-40.96
COCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C#N	REAL300020236488	0	43	-1.0	-58.26	375.82	4.96	-53.30
COCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C#N	REAL300020236488	1	43	-1.0	-58.20	375.77	4.94	-53.26
COCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C#N	REAL300020236489	0	43	-1.0	-44.52	356.57	4.48	-40.04
COCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C#N	REAL300020236489	1	43	-1.0	-44.50	356.62	4.50	-40.00
COCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C#N	REAL300020236490	0	40	-1.0	-57.89	340.98	3.60	-54.29
COCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C#N	REAL300020236490	1	40	-1.0	-57.87	341.04	3.61	-54.26
COCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C#N	REAL300020236491	0	43	-1.0	-51.23	384.80	3.53	-47.70
COCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C#N	REAL300020236491	1	43	-1.0	-51.21	384.86	3.54	-47.67
COCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C#N	REAL300020236492	0	40	-1.0	-46.63	342.39	3.66	-42.97
COCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C#N	REAL300020236492	1	40	-1.0	-46.59	342.46	3.66	-42.93
COCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C#N	REAL300020236493	0	46	-1.0	-39.17	371.01	4.68	-34.49
COCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C#N	REAL300020236493	1	46	-1.0	-39.19	371.06	4.70	-34.49
COC(=O)C(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020236494	0	48	-1.0	-47.81	394.62	5.93	-41.88
COC(=O)C(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020236494	1	48	-1.0	-47.84	394.67	5.95	-41.89
COC(=O)C(C)OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020236495	0	45	-1.0	-68.72	378.69	4.99	-63.73
COC(=O)C(C)OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020236495	1	45	-1.0	-68.74	378.75	5.01	-63.73
COC(=O)C(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020236496	0	45	-1.0	-46.97	379.97	5.04	-41.93
COC(=O)C(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020236496	1	45	-1.0	-46.98	380.04	5.04	-41.94
CN(C(=O)OC(C)(C)C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020236497	0	52	-1.0	-56.06	413.52	5.87	-50.19
CN(C(=O)OC(C)(C)C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020236497	1	52	-1.0	-56.06	413.57	5.89	-50.17
CN(C(=O)OC(C)(C)C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020236498	0	52	-1.0	-49.30	415.52	5.91	-43.39
CN(C(=O)OC(C)(C)C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020236498	1	52	-1.0	-49.35	415.60	5.92	-43.43
COC(=O)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020236499	0	43	-1.0	-45.42	366.91	5.85	-39.57
COC(=O)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020236499	1	43	-1.0	-45.41	366.85	5.82	-39.59
COC(=O)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020236500	0	43	-1.0	-46.93	347.42	5.33	-41.60
COC(=O)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020236500	1	43	-1.0	-46.93	347.36	5.31	-41.62
COC(=O)C1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020236501	0	40	-1.0	-57.02	332.25	4.46	-52.56
COC(=O)C1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020236501	1	40	-1.0	-57.01	332.19	4.43	-52.58
COC(=O)C1=CC=NC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020236502	0	43	-1.0	-50.29	375.85	4.42	-45.87
COC(=O)C1=CC=NC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020236502	1	43	-1.0	-50.26	375.80	4.41	-45.85
COC(=O)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020236503	0	40	-1.0	-47.30	333.73	4.52	-42.78
COC(=O)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020236503	1	40	-1.0	-47.31	333.66	4.51	-42.80
COC(=O)C1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020236504	0	46	-1.0	-53.17	356.11	6.38	-46.79
COC(=O)C1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020236504	1	46	-1.0	-53.11	356.05	6.36	-46.75
CN1CCC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C2C1=O	REAL300020236505	0	46	-1.0	-49.36	379.01	5.51	-43.85
CN1CCC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C2C1=O	REAL300020236505	1	46	-1.0	-49.35	378.95	5.49	-43.86
CN1CCC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C2C1=O	REAL300020236506	0	46	-1.0	-47.25	357.55	4.73	-42.52
CN1CCC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C2C1=O	REAL300020236506	1	46	-1.0	-47.27	357.60	4.74	-42.53
CN1CCC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C2C1=O	REAL300020236507	0	43	-1.0	-56.07	345.16	4.13	-51.94
CN1CCC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C2C1=O	REAL300020236507	1	43	-1.0	-56.09	345.21	4.13	-51.96
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCN(C)C2=O)C1=N[N-]N=N1	REAL300020236508	0	46	-1.0	-51.03	388.61	4.12	-46.91
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCN(C)C2=O)C1=NN=N[N-]1	REAL300020236508	1	46	-1.0	-51.02	388.67	4.13	-46.89
CN1CCC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C2C1=O	REAL300020236509	0	43	-1.0	-48.70	346.04	4.11	-44.59
CN1CCC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C2C1=O	REAL300020236509	1	43	-1.0	-48.67	346.12	4.12	-44.55
CN1CCC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2C1=O	REAL300020236510	0	49	-1.0	-40.10	368.00	5.15	-34.95
CN1CCC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2C1=O	REAL300020236510	1	49	-1.0	-40.08	368.03	5.18	-34.90
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN=C1OC	REAL300020236511	0	42	-1.0	-53.97	359.64	1.43	-52.54
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN=C1OC	REAL300020236511	1	42	-1.0	-53.95	359.58	1.41	-52.54
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1OC	REAL300020236512	0	42	-1.0	-44.93	340.89	0.92	-44.01
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN=C1OC	REAL300020236512	1	42	-1.0	-44.92	340.84	0.91	-44.01
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN=C1OC	REAL300020236513	0	39	-1.0	-53.05	325.38	0.01	-53.04
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN=C1OC	REAL300020236513	1	39	-1.0	-53.04	325.32	0.00	-53.04
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CN=C1OC	REAL300020236514	0	42	-1.0	-47.14	368.66	0.01	-47.13
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CN=C1OC	REAL300020236514	1	42	-1.0	-47.14	368.60	-0.01	-47.15
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1OC	REAL300020236515	0	39	-1.0	-44.93	326.50	0.09	-44.84
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1OC	REAL300020236515	1	39	-1.0	-44.95	326.42	0.07	-44.88
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1OC	REAL300020236516	0	45	-1.0	-41.79	353.33	1.09	-40.70
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1OC	REAL300020236516	1	45	-1.0	-41.77	353.29	1.09	-40.68
O=C(NC1=NN(C2CCOCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236517	0	46	-1.0	-43.50	377.71	4.37	-39.13
O=C(NC1=NN(C2CCOCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236517	1	46	-1.0	-43.53	377.65	4.35	-39.18
O=C(NC1=NN(C2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236518	0	46	-1.0	-45.43	358.56	3.90	-41.53
O=C(NC1=NN(C2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236518	1	46	-1.0	-45.42	358.50	3.88	-41.54
O=C(NC1=NN(C2CCOCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236519	0	43	-1.0	-54.30	343.06	2.98	-51.32
O=C(NC1=NN(C2CCOCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236519	1	43	-1.0	-54.27	343.00	2.97	-51.30
CSCC[C@H](NC(=O)NC1=NN(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300020236520	0	46	-1.0	-47.61	386.69	2.95	-44.66
CSCC[C@H](NC(=O)NC1=NN(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300020236520	1	46	-1.0	-47.61	386.64	2.93	-44.68
O=C(NC1=NN(C2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236521	0	43	-1.0	-44.46	344.56	3.02	-41.44
O=C(NC1=NN(C2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236521	1	43	-1.0	-44.48	344.49	3.01	-41.47
O=C(NC1=NN(C2CCOCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236522	0	49	-1.0	-50.33	366.49	4.78	-45.55
O=C(NC1=NN(C2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236522	1	49	-1.0	-50.34	366.45	4.77	-45.57
CCS(=O)(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020236523	0	49	-1.0	-50.34	395.16	3.30	-47.04
CCS(=O)(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020236523	1	49	-1.0	-50.39	395.22	3.31	-47.08
CCS(=O)(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020236524	0	46	-1.0	-57.29	379.67	2.39	-54.90
CCS(=O)(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020236524	1	46	-1.0	-57.32	379.72	2.41	-54.91
CCS(=O)(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020236525	0	46	-1.0	-51.42	381.03	2.44	-48.98
CCS(=O)(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020236525	1	46	-1.0	-51.42	381.10	2.45	-48.97
O=C(NC1=CC=CC(SC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236526	0	46	-1.0	-44.19	384.80	8.35	-35.84
O=C(NC1=CC=CC(SC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236526	1	46	-1.0	-44.21	384.85	8.37	-35.84
O=C(NC1=CC=CC(SC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236527	0	43	-1.0	-60.76	369.10	7.49	-53.27
O=C(NC1=CC=CC(SC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236527	1	43	-1.0	-60.80	369.16	7.51	-53.29
O=C(NC1=CC=CC(SC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236528	0	43	-1.0	-47.84	370.46	7.54	-40.30
O=C(NC1=CC=CC(SC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236528	1	43	-1.0	-47.85	370.53	7.55	-40.30
O=C(NC1=CC=CC(SC2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236529	0	49	-1.0	-43.31	393.44	8.67	-34.64
O=C(NC1=CC=CC(SC2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236529	1	49	-1.0	-42.96	393.57	8.69	-34.27
COC(=O)C1=CNC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C12	REAL300020236530	0	45	-1.0	-49.12	389.34	5.52	-43.60
COC(=O)C1=CNC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C12	REAL300020236530	1	45	-1.0	-49.11	389.28	5.50	-43.61
COC(=O)C1=CNC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C12	REAL300020236531	0	45	-1.0	-54.86	370.54	4.95	-49.91
COC(=O)C1=CNC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C12	REAL300020236531	1	45	-1.0	-54.87	370.60	4.97	-49.90
COC(=O)C1=CNC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C12	REAL300020236532	0	42	-1.0	-57.83	355.28	4.03	-53.80
COC(=O)C1=CNC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C12	REAL300020236532	1	42	-1.0	-57.84	355.34	4.05	-53.79
COC(=O)C1=CNC2=CC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C12	REAL300020236533	0	45	-1.0	-52.00	398.81	4.01	-47.99
COC(=O)C1=CNC2=CC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C12	REAL300020236533	1	45	-1.0	-52.00	398.87	4.02	-47.98
COC(=O)C1=CNC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020236534	0	42	-1.0	-48.83	356.65	4.10	-44.73
COC(=O)C1=CNC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020236534	1	42	-1.0	-48.84	356.72	4.11	-44.73
COC(=O)C1=CNC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C12	REAL300020236535	0	48	-1.0	-48.95	384.95	5.16	-43.79
COC(=O)C1=CNC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C12	REAL300020236535	1	48	-1.0	-49.00	385.00	5.16	-43.84
CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=CO2)=N1	REAL300020236536	0	42	-1.0	-43.83	366.50	4.28	-39.55
CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=CO2)=N1	REAL300020236536	1	42	-1.0	-43.81	366.44	4.26	-39.55
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2=CC=CO2)=N1	REAL300020236537	0	42	-1.0	-45.44	347.32	3.82	-41.62
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2=CC=CO2)=N1	REAL300020236537	1	42	-1.0	-45.39	347.27	3.80	-41.59
CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C2=CC=CO2)=N1	REAL300020236538	0	39	-1.0	-53.70	331.87	2.91	-50.79
CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C2=CC=CO2)=N1	REAL300020236538	1	39	-1.0	-53.68	331.81	2.90	-50.78
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C1=CC=CO1)C1=NN=N[N-]1	REAL300020236539	0	42	-1.0	-47.55	375.49	2.87	-44.68
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C1=CC=CO1)C1=N[N-]N=N1	REAL300020236539	1	42	-1.0	-47.57	375.43	2.86	-44.71
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CO2)=N1	REAL300020236540	0	39	-1.0	-44.46	333.36	2.95	-41.51
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CO2)=N1	REAL300020236540	1	39	-1.0	-44.46	333.28	2.93	-41.53
CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C2=CC=CO2)=N1	REAL300020236541	0	45	-1.0	-49.98	355.30	4.69	-45.29
CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C2=CC=CO2)=N1	REAL300020236541	1	45	-1.0	-50.02	355.26	4.68	-45.34
COC1=C(C)C=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236542	0	42	-1.0	-41.01	371.46	5.56	-35.45
COC1=C(C)C=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236542	1	42	-1.0	-41.04	371.40	5.54	-35.50
COC1=C(C)C=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236543	0	42	-1.0	-42.78	351.86	5.08	-37.70
COC1=C(C)C=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236543	1	42	-1.0	-42.77	351.91	5.10	-37.67
COC1=C(C)C=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236544	0	39	-1.0	-51.82	337.22	4.16	-47.66
COC1=C(C)C=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236544	1	39	-1.0	-51.80	337.28	4.18	-47.62
COC1=C(C)C=C(Cl)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020236545	0	42	-1.0	-45.08	379.23	4.03	-41.05
COC1=C(C)C=C(Cl)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020236545	1	42	-1.0	-45.08	379.29	4.04	-41.04
COC1=C(C)C=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236546	0	39	-1.0	-42.73	337.04	4.12	-38.61
COC1=C(C)C=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236546	1	39	-1.0	-42.76	337.12	4.14	-38.62
COC1=C(C)C=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236547	0	45	-1.0	-51.06	357.75	5.99	-45.07
COC1=C(C)C=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236547	1	45	-1.0	-51.07	357.80	5.99	-45.08
COC(=O)C(C)(C)N1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020236548	0	47	-1.0	-47.30	398.65	5.66	-41.64
COC(=O)C(C)(C)N1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020236548	1	47	-1.0	-47.25	398.59	5.63	-41.62
COC(=O)C(C)(C)N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020236549	0	47	-1.0	-47.04	378.57	5.03	-42.01
COC(=O)C(C)(C)N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020236549	1	47	-1.0	-46.97	378.52	5.02	-41.95
COC(=O)C(C)(C)N1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020236550	0	44	-1.0	-56.72	363.06	4.12	-52.60
COC(=O)C(C)(C)N1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020236550	1	44	-1.0	-56.69	363.00	4.10	-52.59
COC(=O)C(C)(C)N1C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020236551	0	47	-1.0	-51.12	407.61	4.23	-46.89
COC(=O)C(C)(C)N1C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020236551	1	47	-1.0	-51.11	407.55	4.22	-46.89
COC(=O)C(C)(C)N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020236552	0	44	-1.0	-46.73	364.59	4.16	-42.57
COC(=O)C(C)(C)N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020236552	1	44	-1.0	-46.72	364.51	4.15	-42.57
COC(=O)C(C)(C)N1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020236553	0	50	-1.0	-53.01	386.49	5.91	-47.10
COC(=O)C(C)(C)N1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020236553	1	50	-1.0	-52.99	386.46	5.91	-47.08
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OCC(F)F)=C1	REAL300020236554	0	45	-1.0	-55.38	385.98	4.68	-50.70
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OCC(F)F)=C1	REAL300020236554	1	45	-1.0	-55.39	386.04	4.71	-50.68
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCC(F)F)=C1	REAL300020236555	0	45	-1.0	-46.24	387.37	4.74	-41.50
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCC(F)F)=C1	REAL300020236555	1	45	-1.0	-46.24	387.44	4.76	-41.48
CC(C)C1=CC(Cl)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236556	0	44	-1.0	-39.91	375.64	7.41	-32.50
CC(C)C1=CC(Cl)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236556	1	44	-1.0	-39.89	375.59	7.38	-32.51
CC(C)C1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236557	0	44	-1.0	-42.08	356.60	6.92	-35.16
CC(C)C1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236557	1	44	-1.0	-42.11	356.65	6.93	-35.18
CC(C)C1=CC(Cl)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236558	0	41	-1.0	-52.41	342.24	6.05	-46.36
CC(C)C1=CC(Cl)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236558	1	41	-1.0	-52.40	342.30	6.08	-46.32
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1C(C)C)C1=N[N-]N=N1	REAL300020236559	0	44	-1.0	-44.18	384.70	5.96	-38.22
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1C(C)C)C1=NN=N[N-]1	REAL300020236559	1	44	-1.0	-44.21	384.75	5.97	-38.24
CC(C)C1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236560	0	41	-1.0	-41.83	342.54	6.06	-35.77
CC(C)C1=CC(Cl)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236560	1	41	-1.0	-41.87	342.61	6.08	-35.79
CC(C)C1=CC(Cl)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236561	0	47	-1.0	-48.20	364.99	7.90	-40.30
CC(C)C1=CC(Cl)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236561	1	47	-1.0	-48.26	365.04	7.91	-40.35
O=C(NC1=C(C2=CC=C(F)C=C2)N=C2C=CC=CN21)N1CCCC1C1=NN=N[N-]1	REAL300020236562	0	45	-1.0	-54.81	384.58	8.42	-46.39
O=C(NC1=C(C2=CC=C(F)C=C2)N=C2C=CC=CN21)N1CCCC1C1=N[N-]N=N1	REAL300020236562	1	45	-1.0	-54.74	384.52	8.40	-46.34
O=C(NC1=C(C2=CC=C(F)C=C2)N=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020236563	0	45	-1.0	-44.15	377.18	8.63	-35.52
O=C(NC1=C(C2=CC=C(F)C=C2)N=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020236563	1	45	-1.0	-44.12	377.10	8.62	-35.50
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C(F)F)C1CCCCC1	REAL300020236564	0	47	-1.0	-39.19	377.69	6.28	-32.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C(F)F)C1CCCCC1	REAL300020236564	1	47	-1.0	-39.19	377.75	6.31	-32.88
O=C(NC(C(F)F)C1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236565	0	47	-1.0	-45.40	358.68	5.86	-39.54
O=C(NC(C(F)F)C1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236565	1	47	-1.0	-45.43	358.74	5.88	-39.55
O=C(NC(C(F)F)C1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020236566	0	44	-1.0	-49.40	342.97	4.92	-44.48
O=C(NC(C(F)F)C1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020236566	1	44	-1.0	-49.41	343.03	4.94	-44.47
CSCC[C@H](NC(=O)NC(C(F)F)C1CCCCC1)C1=N[N-]N=N1	REAL300020236567	0	47	-1.0	-49.52	386.58	4.88	-44.64
CSCC[C@H](NC(=O)NC(C(F)F)C1CCCCC1)C1=NN=N[N-]1	REAL300020236567	1	47	-1.0	-49.53	386.64	4.90	-44.63
O=C(NC(C(F)F)C1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236568	0	44	-1.0	-44.03	338.10	4.65	-39.38
O=C(NC(C(F)F)C1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236568	1	44	-1.0	-44.01	338.17	4.66	-39.35
O=C(NC(C(F)F)C1CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236569	0	50	-1.0	-51.09	361.81	6.86	-44.23
O=C(NC(C(F)F)C1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236569	1	50	-1.0	-51.11	361.86	6.86	-44.25
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC(F)=C1F	REAL300020236570	0	34	-1.0	-39.91	310.01	3.07	-36.84
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC(F)=C1F	REAL300020236570	1	34	-1.0	-39.89	309.95	3.05	-36.84
O=C(NC1=CC=NC(F)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236571	0	34	-1.0	-40.48	291.53	2.57	-37.91
O=C(NC1=CC=NC(F)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236571	1	34	-1.0	-40.49	291.47	2.55	-37.94
CSCC[C@H](NC(=O)NC1=CC=NC(F)=C1F)C1=NN=N[N-]1	REAL300020236572	0	34	-1.0	-42.87	319.32	1.64	-41.23
CSCC[C@H](NC(=O)NC1=CC=NC(F)=C1F)C1=N[N-]N=N1	REAL300020236572	1	34	-1.0	-42.84	319.26	1.62	-41.22
O=C(NC1=CC=NC(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020236573	0	37	-1.0	-43.75	298.41	3.47	-40.28
O=C(NC1=CC=NC(F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020236573	1	37	-1.0	-43.77	298.34	3.46	-40.31
CSC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020236574	0	39	-1.0	-42.25	343.44	5.85	-36.40
CSC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020236574	1	39	-1.0	-42.25	343.50	5.87	-36.38
CSC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020236575	0	36	-1.0	-58.39	327.89	4.96	-53.43
CSC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020236575	1	36	-1.0	-58.37	327.95	4.98	-53.39
CSC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020236576	0	36	-1.0	-46.91	329.51	4.99	-41.92
CSC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020236576	1	36	-1.0	-46.95	329.59	4.99	-41.96
CCC(C)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236577	0	47	-1.0	-53.05	381.81	7.36	-45.69
CCC(C)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020236577	1	47	-1.0	-53.02	381.75	7.34	-45.68
CCC(C)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236578	0	47	-1.0	-43.11	361.60	6.90	-36.21
CCC(C)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236578	1	47	-1.0	-43.09	361.65	6.91	-36.18
CCC(C)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020236579	0	44	-1.0	-52.95	347.46	5.94	-47.01
CCC(C)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020236579	1	44	-1.0	-52.91	347.51	5.95	-46.96
CCC(C)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020236580	0	47	-1.0	-50.41	390.93	5.90	-44.51
CCC(C)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020236580	1	47	-1.0	-50.44	390.99	5.92	-44.52
CCC(C)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020236581	0	44	-1.0	-43.30	348.50	6.01	-37.29
CCC(C)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020236581	1	44	-1.0	-43.27	348.57	6.02	-37.25
CCC(C)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236582	0	50	-1.0	-48.94	370.81	7.74	-41.20
CCC(C)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236582	1	50	-1.0	-48.93	370.86	7.76	-41.17
CSC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020236583	0	38	-1.0	-44.30	341.50	4.19	-40.11
CSC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020236583	1	38	-1.0	-44.32	341.44	4.17	-40.15
CSC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020236584	0	38	-1.0	-42.63	322.51	3.70	-38.93
CSC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020236584	1	38	-1.0	-42.62	322.45	3.68	-38.94
CSC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300020236585	0	35	-1.0	-55.23	307.23	2.79	-52.44
CSC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL300020236585	1	35	-1.0	-55.22	307.18	2.78	-52.44
CSCC[C@H](NC(=O)NC1=CC=NC(SC)=C1)C1=NN=N[N-]1	REAL300020236586	0	38	-1.0	-51.39	350.72	2.75	-48.64
CSCC[C@H](NC(=O)NC1=CC=NC(SC)=C1)C1=N[N-]N=N1	REAL300020236586	1	38	-1.0	-51.40	350.66	2.74	-48.66
CSC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020236587	0	35	-1.0	-46.42	308.62	2.85	-43.57
CSC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020236587	1	35	-1.0	-46.41	308.54	2.84	-43.57
CSC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020236588	0	41	-1.0	-40.75	336.93	3.88	-36.87
CSC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020236588	1	41	-1.0	-40.72	336.88	3.87	-36.85
CC1=CNC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020236589	0	42	-1.0	-50.18	356.27	5.55	-44.63
CC1=CNC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020236589	1	42	-1.0	-50.14	356.21	5.52	-44.62
CC1=CNC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C12	REAL300020236590	0	42	-1.0	-48.48	337.32	5.03	-43.45
CC1=CNC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C12	REAL300020236590	1	42	-1.0	-48.48	337.38	5.05	-43.43
CC1=CNC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL300020236591	0	39	-1.0	-59.57	322.18	4.07	-55.50
CC1=CNC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL300020236591	1	39	-1.0	-59.57	322.24	4.09	-55.48
CSCC[C@H](NC(=O)NC1=CC=C2NC=C(C)C2=C1)C1=N[N-]N=N1	REAL300020236592	0	42	-1.0	-51.92	365.73	4.04	-47.88
CSCC[C@H](NC(=O)NC1=CC=C2NC=C(C)C2=C1)C1=NN=N[N-]1	REAL300020236592	1	42	-1.0	-51.93	365.79	4.06	-47.87
CC1=CNC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020236593	0	39	-1.0	-49.61	323.30	4.16	-45.45
CC1=CNC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020236593	1	39	-1.0	-49.64	323.37	4.17	-45.47
CC1=CNC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020236594	0	45	-1.0	-46.90	349.91	5.15	-41.75
CC1=CNC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020236594	1	45	-1.0	-46.89	349.95	5.17	-41.72
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2OC3(CCC3)CCC2=C1	REAL300020236595	0	50	-1.0	-58.07	404.67	7.30	-50.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2OC3(CCC3)CCC2=C1	REAL300020236595	1	50	-1.0	-58.05	404.73	7.32	-50.73
O=C(NC1=CC=C2OC3(CCC3)CCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236596	0	50	-1.0	-46.20	385.68	6.85	-39.35
O=C(NC1=CC=C2OC3(CCC3)CCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236596	1	50	-1.0	-46.22	385.74	6.86	-39.36
O=C(NC1=CC=C2OC3(CCC3)CCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236597	0	47	-1.0	-58.72	369.86	5.95	-52.77
O=C(NC1=CC=C2OC3(CCC3)CCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236597	1	47	-1.0	-58.75	369.92	5.96	-52.79
CSCC[C@H](NC(=O)NC1=CC=C2OC3(CCC3)CCC2=C1)C1=N[N-]N=N1	REAL300020236598	0	50	-1.0	-48.65	413.73	5.89	-42.76
CSCC[C@H](NC(=O)NC1=CC=C2OC3(CCC3)CCC2=C1)C1=NN=N[N-]1	REAL300020236598	1	50	-1.0	-48.64	413.79	5.90	-42.74
O=C(NC1=CC=C2OC3(CCC3)CCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236599	0	47	-1.0	-46.26	371.56	5.98	-40.28
O=C(NC1=CC=C2OC3(CCC3)CCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236599	1	47	-1.0	-46.26	371.64	5.99	-40.27
O=C(NC1=CC=C2OC3(CCC3)CCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236600	0	53	-1.0	-43.49	398.00	7.03	-36.46
O=C(NC1=CC=C2OC3(CCC3)CCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236600	1	53	-1.0	-43.50	398.03	7.03	-36.47
CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC)=C1	REAL300020236601	0	46	-1.0	-46.30	387.94	2.52	-43.78
CNC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC)=C1	REAL300020236601	1	46	-1.0	-46.30	387.88	2.50	-43.80
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300020236602	0	46	-1.0	-45.99	368.20	2.01	-43.98
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020236602	1	46	-1.0	-46.03	368.26	2.03	-44.00
CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OC)=C1	REAL300020236603	0	43	-1.0	-53.98	352.78	1.07	-52.91
CNC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OC)=C1	REAL300020236603	1	43	-1.0	-54.02	352.84	1.10	-52.92
CNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020236604	0	46	-1.0	-48.55	396.30	1.04	-47.51
CNC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020236604	1	46	-1.0	-48.54	396.35	1.06	-47.48
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020236605	0	43	-1.0	-45.80	354.96	1.12	-44.68
CNC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020236605	1	43	-1.0	-45.83	355.03	1.13	-44.70
CNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=C1	REAL300020236606	0	49	-1.0	-46.61	380.18	2.26	-44.35
CNC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=C1	REAL300020236606	1	49	-1.0	-46.61	380.27	2.26	-44.35
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C([N+](=O)[O-])C2=CC=NC=C12	REAL300020236607	0	42	-1.0	-53.78	366.71	5.96	-47.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C([N+](=O)[O-])C2=CC=NC=C12	REAL300020236607	1	42	-1.0	-53.74	366.66	5.93	-47.81
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=NC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236608	0	42	-1.0	-44.02	346.20	5.48	-38.54
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=NC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236608	1	42	-1.0	-44.01	346.14	5.47	-38.54
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=NC=C12)N1CCCC1C1=NN=N[N-]1	REAL300020236609	0	39	-1.0	-51.18	332.20	4.58	-46.60
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=NC=C12)N1CCCC1C1=N[N-]N=N1	REAL300020236609	1	39	-1.0	-51.14	332.14	4.55	-46.59
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C2=CC=NC=C12)C1=NN=N[N-]1	REAL300020236610	0	42	-1.0	-44.87	374.67	4.50	-40.37
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C2=CC=NC=C12)C1=N[N-]N=N1	REAL300020236610	1	42	-1.0	-44.89	374.61	4.49	-40.40
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=NC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020236611	0	39	-1.0	-43.93	333.57	4.61	-39.32
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=NC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020236611	1	39	-1.0	-43.87	333.50	4.60	-39.27
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=NC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020236612	0	45	-1.0	-47.61	355.80	6.35	-41.26
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=NC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020236612	1	45	-1.0	-47.61	355.75	6.35	-41.26
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1OC(F)F	REAL300020236613	0	43	-1.0	-45.99	371.63	4.24	-41.75
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1OC(F)F	REAL300020236613	1	43	-1.0	-46.00	371.69	4.26	-41.74
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC(F)F	REAL300020236614	0	43	-1.0	-48.00	352.68	3.74	-44.26
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC(F)F	REAL300020236614	1	43	-1.0	-48.01	352.74	3.75	-44.26
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020236615	0	40	-1.0	-59.16	336.97	2.87	-56.29
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020236615	1	40	-1.0	-59.18	337.03	2.89	-56.29
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020236616	0	43	-1.0	-51.83	380.51	2.83	-49.00
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020236616	1	43	-1.0	-51.86	380.57	2.85	-49.01
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)F	REAL300020236617	0	40	-1.0	-47.86	338.67	2.90	-44.96
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020236617	1	40	-1.0	-47.86	338.75	2.91	-44.95
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020236618	0	46	-1.0	-43.80	365.05	3.92	-39.88
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020236618	1	46	-1.0	-43.88	365.09	3.94	-39.94
CN1C=C(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)N=N1	REAL300020236619	0	44	-1.0	-75.25	379.28	4.92	-70.33
CN1C=C(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)N=N1	REAL300020236619	1	44	-1.0	-75.27	379.22	4.90	-70.37
CN1C=C(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)N=N1	REAL300020236620	0	44	-1.0	-58.21	359.95	4.45	-53.76
CN1C=C(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)N=N1	REAL300020236620	1	44	-1.0	-58.19	360.01	4.47	-53.72
CN1C=C(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)N=N1	REAL300020236621	0	41	-1.0	-71.26	344.81	3.49	-67.77
CN1C=C(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)N=N1	REAL300020236621	1	41	-1.0	-71.27	344.87	3.51	-67.76
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CN(C)N=N2)=C1)C1=N[N-]N=N1	REAL300020236622	0	44	-1.0	-69.91	388.41	3.45	-66.46
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CN(C)N=N2)=C1)C1=NN=N[N-]1	REAL300020236622	1	44	-1.0	-69.87	388.47	3.47	-66.40
CN1C=C(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)N=N1	REAL300020236623	0	41	-1.0	-61.68	346.25	3.55	-58.13
CN1C=C(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)N=N1	REAL300020236623	1	41	-1.0	-61.64	346.32	3.56	-58.08
CN1C=C(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)N=N1	REAL300020236624	0	47	-1.0	-55.88	374.55	4.60	-51.28
CN1C=C(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)N=N1	REAL300020236624	1	47	-1.0	-55.91	374.60	4.63	-51.28
O=C(NC1=CC=C(OC2CC2(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236625	0	43	-1.0	-50.35	377.52	5.89	-44.46
O=C(NC1=CC=C(OC2CC2(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236625	1	43	-1.0	-50.36	377.58	5.92	-44.44
O=C(NC1=CC=C(OC2CC2(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236626	0	43	-1.0	-45.55	358.22	5.44	-40.11
O=C(NC1=CC=C(OC2CC2(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236626	1	43	-1.0	-45.57	358.28	5.46	-40.11
O=C(NC1=CC=C(OC2CC2(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236627	0	40	-1.0	-53.24	342.30	4.55	-48.69
O=C(NC1=CC=C(OC2CC2(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236627	1	40	-1.0	-53.30	342.36	4.56	-48.74
CSCC[C@H](NC(=O)NC1=CC=C(OC2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300020236628	0	43	-1.0	-48.45	386.21	4.52	-43.93
CSCC[C@H](NC(=O)NC1=CC=C(OC2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300020236628	1	43	-1.0	-48.49	386.27	4.53	-43.96
O=C(NC1=CC=C(OC2CC2(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236629	0	40	-1.0	-45.36	343.85	4.61	-40.75
O=C(NC1=CC=C(OC2CC2(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236629	1	40	-1.0	-45.37	343.92	4.62	-40.75
O=C(NC1=CC=C(OC2CC2(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236630	0	46	-1.0	-53.00	366.13	6.38	-46.62
O=C(NC1=CC=C(OC2CC2(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236630	1	46	-1.0	-53.02	366.18	6.39	-46.63
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(NC2=CC=CC=C2)C=N1	REAL300020236631	0	46	-1.0	-63.50	390.43	6.67	-56.83
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(NC2=CC=CC=C2)C=N1	REAL300020236631	1	46	-1.0	-63.53	390.38	6.65	-56.88
O=C(NC1=CC=C(NC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236632	0	46	-1.0	-50.66	371.04	6.22	-44.44
O=C(NC1=CC=C(NC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236632	1	46	-1.0	-50.66	370.99	6.20	-44.46
O=C(NC1=CC=C(NC2=CC=CC=C2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020236633	0	43	-1.0	-60.07	356.02	5.41	-54.66
O=C(NC1=CC=C(NC2=CC=CC=C2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020236633	1	43	-1.0	-60.07	355.97	5.40	-54.67
CSCC[C@H](NC(=O)NC1=CC=C(NC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020236634	0	46	-1.0	-54.67	398.50	5.26	-49.41
CSCC[C@H](NC(=O)NC1=CC=C(NC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020236634	1	46	-1.0	-54.68	398.44	5.25	-49.43
O=C(NC1=CC=C(NC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236635	0	43	-1.0	-48.79	356.29	5.47	-43.32
O=C(NC1=CC=C(NC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236635	1	43	-1.0	-48.77	356.22	5.45	-43.32
O=C(NC1=CC=C(NC2=CC=CC=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236636	0	49	-1.0	-54.48	378.88	7.20	-47.28
O=C(NC1=CC=C(NC2=CC=CC=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236636	1	49	-1.0	-54.45	378.83	7.18	-47.27
COC1=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C=C1OC	REAL300020236637	0	49	-1.0	-46.79	388.64	5.80	-40.99
COC1=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C=C1OC	REAL300020236637	1	49	-1.0	-46.77	388.70	5.81	-40.96
COC1=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1OC	REAL300020236638	0	46	-1.0	-55.69	373.38	4.87	-50.82
COC1=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1OC	REAL300020236638	1	46	-1.0	-55.68	373.44	4.89	-50.79
COC1=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1OC	REAL300020236639	0	46	-1.0	-47.03	374.71	4.93	-42.10
COC1=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1OC	REAL300020236639	1	46	-1.0	-47.05	374.78	4.94	-42.11
COC1=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1OC	REAL300020236640	0	52	-1.0	-44.84	400.97	5.93	-38.91
COC1=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1OC	REAL300020236640	1	52	-1.0	-44.84	401.00	5.95	-38.89
O=C(NC1=CC=C(OC(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236641	0	39	-1.0	-38.98	344.78	4.71	-34.27
O=C(NC1=CC=C(OC(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236641	1	39	-1.0	-38.96	344.83	4.73	-34.23
O=C(NC1=CC=C(OC(F)(F)F)C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020236642	0	36	-1.0	-48.75	329.46	3.80	-44.95
O=C(NC1=CC=C(OC(F)(F)F)C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020236642	1	36	-1.0	-48.75	329.52	3.83	-44.92
O=C(NC1=CC=C(OC(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020236643	0	36	-1.0	-38.72	329.97	3.83	-34.89
O=C(NC1=CC=C(OC(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020236643	1	36	-1.0	-38.68	330.04	3.84	-34.84
CC1=CC(=O)NC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020236644	0	44	-1.0	-52.21	374.35	4.43	-47.78
CC1=CC(=O)NC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020236644	1	44	-1.0	-52.24	374.29	4.40	-47.84
CC1=CC(=O)NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C12	REAL300020236645	0	44	-1.0	-47.60	354.93	3.98	-43.62
CC1=CC(=O)NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C12	REAL300020236645	1	44	-1.0	-47.66	354.99	4.00	-43.66
CC1=CC(=O)NC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL300020236646	0	41	-1.0	-55.38	338.45	2.97	-52.41
CC1=CC(=O)NC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL300020236646	1	41	-1.0	-55.35	338.51	2.98	-52.37
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)C=C(C)C2=C1)C1=N[N-]N=N1	REAL300020236647	0	44	-1.0	-50.62	383.34	2.99	-47.63
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)C=C(C)C2=C1)C1=NN=N[N-]1	REAL300020236647	1	44	-1.0	-50.61	383.39	3.00	-47.61
CC1=CC(=O)NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020236648	0	41	-1.0	-47.69	341.19	3.08	-44.61
CC1=CC(=O)NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020236648	1	41	-1.0	-47.72	341.26	3.10	-44.62
CC1=CC(=O)NC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020236649	0	47	-1.0	-40.60	366.18	4.04	-36.56
CC1=CC(=O)NC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020236649	1	47	-1.0	-40.61	366.22	4.06	-36.55
CSC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NC=N1	REAL300020236650	0	37	-1.0	-44.03	337.28	5.50	-38.53
CSC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NC=N1	REAL300020236650	1	37	-1.0	-44.03	337.22	5.47	-38.56
CSC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC=N1	REAL300020236651	0	37	-1.0	-43.26	315.29	4.45	-38.81
CSC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC=N1	REAL300020236651	1	37	-1.0	-43.25	315.23	4.43	-38.82
CSC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NC=N1	REAL300020236652	0	34	-1.0	-55.87	302.75	4.11	-51.76
CSC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NC=N1	REAL300020236652	1	34	-1.0	-55.82	302.69	4.09	-51.73
CSCC[C@H](NC(=O)NC1=CC(SC)=NC=N1)C1=NN=N[N-]1	REAL300020236653	0	37	-1.0	-48.81	346.28	4.07	-44.74
CSCC[C@H](NC(=O)NC1=CC(SC)=NC=N1)C1=N[N-]N=N1	REAL300020236653	1	37	-1.0	-48.84	346.22	4.06	-44.78
CSC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NC=N1	REAL300020236654	0	34	-1.0	-46.27	304.13	4.17	-42.10
CSC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NC=N1	REAL300020236654	1	34	-1.0	-46.23	304.05	4.15	-42.08
CSC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=N1	REAL300020236655	0	40	-1.0	-52.13	326.62	6.01	-46.12
CSC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=N1	REAL300020236655	1	40	-1.0	-52.13	326.57	6.00	-46.13
CN1N=C(C(F)(F)F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236656	0	38	-1.0	-43.54	344.79	4.46	-39.08
CN1N=C(C(F)(F)F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236656	1	38	-1.0	-43.54	344.74	4.44	-39.10
CN1N=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236657	0	38	-1.0	-44.80	325.41	3.98	-40.82
CN1N=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236657	1	38	-1.0	-44.79	325.36	3.97	-40.82
CN1N=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236658	0	35	-1.0	-54.21	310.19	3.09	-51.12
CN1N=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236658	1	35	-1.0	-54.15	310.13	3.06	-51.09
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=NN1C)C1=NN=N[N-]1	REAL300020236659	0	38	-1.0	-47.37	353.78	3.04	-44.33
CSCC[C@H](NC(=O)NC1=CC(C(F)(F)F)=NN1C)C1=N[N-]N=N1	REAL300020236659	1	38	-1.0	-47.36	353.72	3.02	-44.34
CN1N=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236660	0	35	-1.0	-45.24	311.46	3.12	-42.12
CN1N=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236660	1	35	-1.0	-45.17	311.38	3.11	-42.06
CN1N=C(C(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236661	0	41	-1.0	-51.36	333.58	4.85	-46.51
CN1N=C(C(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236661	1	41	-1.0	-51.33	333.55	4.85	-46.48
O=C(NC1=CC=C(OCC2=CC=CC=C2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236662	0	49	-1.0	-49.61	401.55	7.63	-41.98
O=C(NC1=CC=C(OCC2=CC=CC=C2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236662	1	49	-1.0	-49.60	401.61	7.64	-41.96
O=C(NC1=CC=C(OCC2=CC=CC=C2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236663	0	46	-1.0	-62.67	385.97	6.74	-55.93
O=C(NC1=CC=C(OCC2=CC=CC=C2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236663	1	46	-1.0	-62.66	386.03	6.75	-55.91
O=C(NC1=CC=C(OCC2=CC=CC=C2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236664	0	46	-1.0	-50.06	387.38	6.80	-43.26
O=C(NC1=CC=C(OCC2=CC=CC=C2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236664	1	46	-1.0	-50.13	387.45	6.80	-43.33
O=C(NC1=NN(C2=CC=CC=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236665	0	42	-1.0	-44.40	361.17	6.95	-37.45
O=C(NC1=NN(C2=CC=CC=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236665	1	42	-1.0	-44.40	361.12	6.92	-37.48
O=C(NC1=NN(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236666	0	42	-1.0	-46.35	342.00	6.47	-39.88
O=C(NC1=NN(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236666	1	42	-1.0	-46.33	341.95	6.46	-39.87
O=C(NC1=NN(C2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236667	0	39	-1.0	-54.47	326.53	5.56	-48.91
O=C(NC1=NN(C2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236667	1	39	-1.0	-54.48	326.47	5.53	-48.95
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020236668	0	42	-1.0	-48.36	370.14	5.52	-42.84
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020236668	1	42	-1.0	-48.38	370.09	5.51	-42.87
O=C(NC1=NN(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236669	0	39	-1.0	-45.11	328.01	5.61	-39.50
O=C(NC1=NN(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236669	1	39	-1.0	-45.06	327.94	5.59	-39.47
O=C(NC1=NN(C2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236670	0	45	-1.0	-50.56	349.92	7.34	-43.22
O=C(NC1=NN(C2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236670	1	45	-1.0	-50.56	349.89	7.33	-43.23
CC(C)(C)N1N=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236671	0	44	-1.0	-42.48	357.23	5.71	-36.77
CC(C)(C)N1N=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236671	1	44	-1.0	-42.48	357.18	5.69	-36.79
CC(C)(C)N1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236672	0	44	-1.0	-43.97	338.05	5.24	-38.73
CC(C)(C)N1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236672	1	44	-1.0	-43.97	337.99	5.23	-38.74
CC(C)(C)N1N=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236673	0	41	-1.0	-54.60	322.59	4.32	-50.28
CC(C)(C)N1N=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236673	1	41	-1.0	-54.64	322.54	4.30	-50.34
CSCC[C@H](NC(=O)NC1=CC=NN1C(C)(C)C)C1=NN=N[N-]1	REAL300020236674	0	44	-1.0	-47.27	366.22	4.29	-42.98
CSCC[C@H](NC(=O)NC1=CC=NN1C(C)(C)C)C1=N[N-]N=N1	REAL300020236674	1	44	-1.0	-47.29	366.16	4.27	-43.02
CC(C)(C)N1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236675	0	41	-1.0	-44.26	324.09	4.37	-39.89
CC(C)(C)N1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236675	1	41	-1.0	-44.27	324.02	4.36	-39.91
CC(C)(C)N1N=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236676	0	47	-1.0	-51.96	346.60	6.22	-45.74
CC(C)(C)N1N=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236676	1	47	-1.0	-51.96	346.55	6.22	-45.74
O=C(NC1=CC=C(Cl)C(SCC2CC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236677	0	46	-1.0	-42.32	392.49	8.16	-34.16
O=C(NC1=CC=C(Cl)C(SCC2CC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236677	1	46	-1.0	-42.35	392.55	8.17	-34.18
O=C(NC1=CC=C(Cl)C(SCC2CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236678	0	43	-1.0	-50.65	377.04	7.26	-43.39
O=C(NC1=CC=C(Cl)C(SCC2CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236678	1	43	-1.0	-50.63	377.09	7.27	-43.36
O=C(NC1=CC=C(Cl)C(SCC2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236679	0	43	-1.0	-42.26	378.11	7.33	-34.93
O=C(NC1=CC=C(Cl)C(SCC2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236679	1	43	-1.0	-42.29	378.18	7.35	-34.94
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1NC(=O)OC(C)(C)C	REAL300020236680	0	52	-1.0	-61.22	407.93	4.51	-56.71
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1NC(=O)OC(C)(C)C	REAL300020236680	1	52	-1.0	-61.19	407.99	4.53	-56.66
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1NC(=O)OC(C)(C)C	REAL300020236681	0	52	-1.0	-50.40	408.97	4.51	-45.89
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1NC(=O)OC(C)(C)C	REAL300020236681	1	52	-1.0	-50.44	409.04	4.52	-45.92
O=C(NC1=CC=C(F)C(Br)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236682	0	35	-1.0	-40.02	314.87	5.07	-34.95
O=C(NC1=CC=C(F)C(Br)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236682	1	35	-1.0	-40.06	314.93	5.08	-34.98
O=C(NC1=CC=C(F)C(Br)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020236683	0	32	-1.0	-46.24	299.90	4.14	-42.10
O=C(NC1=CC=C(F)C(Br)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020236683	1	32	-1.0	-46.24	299.96	4.15	-42.09
O=C(NC1=CC=C(F)C(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020236684	0	32	-1.0	-38.52	301.25	4.19	-34.33
O=C(NC1=CC=C(F)C(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020236684	1	32	-1.0	-38.51	301.32	4.21	-34.30
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC(OCCO)=C1	REAL300020236685	0	42	-1.0	-48.67	363.43	-0.67	-49.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC(OCCO)=C1	REAL300020236685	1	42	-1.0	-48.68	363.37	-0.70	-49.38
O=C(NC1=CC=NC(OCCO)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236686	0	42	-1.0	-46.63	344.45	-1.16	-47.79
O=C(NC1=CC=NC(OCCO)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236686	1	42	-1.0	-46.64	344.39	-1.18	-47.82
O=C(NC1=CC=NC(OCCO)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236687	0	39	-1.0	-60.82	329.16	-2.07	-62.89
O=C(NC1=CC=NC(OCCO)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236687	1	39	-1.0	-60.82	329.10	-2.09	-62.91
CSCC[C@H](NC(=O)NC1=CC=NC(OCCO)=C1)C1=NN=N[N-]1	REAL300020236688	0	42	-1.0	-48.20	372.66	-2.11	-50.31
CSCC[C@H](NC(=O)NC1=CC=NC(OCCO)=C1)C1=N[N-]N=N1	REAL300020236688	1	42	-1.0	-48.20	372.60	-2.13	-50.33
O=C(NC1=CC=NC(OCCO)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236689	0	39	-1.0	-51.16	330.55	-2.02	-53.18
O=C(NC1=CC=NC(OCCO)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236689	1	39	-1.0	-51.15	330.47	-2.02	-53.17
O=C(NC1=CC=NC(OCCO)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236690	0	45	-1.0	-44.55	357.14	-1.00	-45.55
O=C(NC1=CC=NC(OCCO)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236690	1	45	-1.0	-44.56	357.10	-1.01	-45.57
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1C	REAL300020236691	0	44	-1.0	-47.24	371.15	5.38	-41.86
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1C	REAL300020236691	1	44	-1.0	-47.30	371.09	5.36	-41.94
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1C	REAL300020236692	0	44	-1.0	-43.10	349.18	4.30	-38.80
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1C	REAL300020236692	1	44	-1.0	-43.14	349.24	4.31	-38.83
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C1C	REAL300020236693	0	41	-1.0	-61.62	336.58	3.97	-57.65
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C1C	REAL300020236693	1	41	-1.0	-61.62	336.64	4.00	-57.62
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1C	REAL300020236694	0	44	-1.0	-53.75	380.10	3.95	-49.80
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1C	REAL300020236694	1	44	-1.0	-53.79	380.15	3.96	-49.83
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1C	REAL300020236695	0	41	-1.0	-50.35	337.92	4.04	-46.31
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1C	REAL300020236695	1	41	-1.0	-50.34	338.00	4.06	-46.28
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1C	REAL300020236696	0	47	-1.0	-56.80	360.51	5.73	-51.07
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1C	REAL300020236696	1	47	-1.0	-56.80	360.56	5.74	-51.06
CC1=CN2C=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC2=N1	REAL300020236697	0	41	-1.0	-52.99	354.38	6.01	-46.98
CC1=CN2C=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=N1	REAL300020236697	1	41	-1.0	-52.99	354.32	5.99	-47.00
CC1=CN2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC2=N1	REAL300020236698	0	41	-1.0	-45.16	330.28	5.32	-39.84
CC1=CN2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC2=N1	REAL300020236698	1	41	-1.0	-45.17	330.34	5.34	-39.83
CC1=CN2C=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC2=N1	REAL300020236699	0	38	-1.0	-53.53	319.77	4.57	-48.96
CC1=CN2C=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC2=N1	REAL300020236699	1	38	-1.0	-53.53	319.83	4.59	-48.94
CSCC[C@H](NC(=O)NC1=CC2=NC(C)=CN2C=C1)C1=N[N-]N=N1	REAL300020236700	0	41	-1.0	-50.80	363.30	4.53	-46.27
CSCC[C@H](NC(=O)NC1=CC2=NC(C)=CN2C=C1)C1=NN=N[N-]1	REAL300020236700	1	41	-1.0	-50.83	363.36	4.55	-46.28
CC1=CN2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=N1	REAL300020236701	0	38	-1.0	-46.50	321.17	4.62	-41.88
CC1=CN2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=N1	REAL300020236701	1	38	-1.0	-46.48	321.24	4.64	-41.84
CC1=CN2C=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=N1	REAL300020236702	0	44	-1.0	-47.39	344.96	5.63	-41.76
CC1=CN2C=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=N1	REAL300020236702	1	44	-1.0	-47.43	345.00	5.64	-41.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1COCC2	REAL300020236703	0	43	-1.0	-42.65	353.00	5.07	-37.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1COCC2	REAL300020236703	1	43	-1.0	-42.65	352.94	5.05	-37.60
O=C(NC1=CC=CC2=C1COCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236704	0	43	-1.0	-43.97	333.41	4.57	-39.40
O=C(NC1=CC=CC2=C1COCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236704	1	43	-1.0	-43.97	333.47	4.58	-39.39
O=C(NC1=CC=CC2=C1COCC2)N1CCCC1C1=N[N-]N=N1	REAL300020236705	0	40	-1.0	-55.69	319.95	3.70	-51.99
O=C(NC1=CC=CC2=C1COCC2)N1CCCC1C1=NN=N[N-]1	REAL300020236705	1	40	-1.0	-55.69	320.01	3.73	-51.96
CSCC[C@H](NC(=O)NC1=CC=CC2=C1COCC2)C1=N[N-]N=N1	REAL300020236706	0	43	-1.0	-48.29	363.48	3.68	-44.61
CSCC[C@H](NC(=O)NC1=CC=CC2=C1COCC2)C1=NN=N[N-]1	REAL300020236706	1	43	-1.0	-48.32	363.54	3.69	-44.63
O=C(NC1=CC=CC2=C1COCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020236707	0	40	-1.0	-44.67	320.39	3.71	-40.96
O=C(NC1=CC=CC2=C1COCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020236707	1	40	-1.0	-44.66	320.46	3.73	-40.93
O=C(NC1=CC=CC2=C1COCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020236708	0	46	-1.0	-49.19	341.99	5.45	-43.74
O=C(NC1=CC=CC2=C1COCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020236708	1	46	-1.0	-49.19	342.04	5.47	-43.72
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C([N+](=O)[O-])=C1	REAL300020236709	0	41	-1.0	-41.93	355.75	5.05	-36.88
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C([N+](=O)[O-])=C1	REAL300020236709	1	41	-1.0	-41.92	355.69	5.02	-36.90
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C([N+](=O)[O-])=C1	REAL300020236710	0	41	-1.0	-41.99	336.08	4.55	-37.44
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C([N+](=O)[O-])=C1	REAL300020236710	1	41	-1.0	-41.93	336.14	4.57	-37.36
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020236711	0	38	-1.0	-49.99	320.63	3.61	-46.38
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020236711	1	38	-1.0	-49.97	320.69	3.64	-46.33
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020236712	0	41	-1.0	-42.99	365.32	3.68	-39.31
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020236712	1	41	-1.0	-42.96	365.38	3.70	-39.26
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020236713	0	38	-1.0	-42.06	323.13	3.76	-38.30
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020236713	1	38	-1.0	-42.13	323.21	3.77	-38.36
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020236714	0	44	-1.0	-46.33	344.41	4.72	-41.61
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020236714	1	44	-1.0	-46.34	344.46	4.72	-41.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C(F)(F)F)C(F)=C1	REAL300020236715	0	38	-1.0	-50.39	347.54	5.79	-44.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C(F)(F)F)C(F)=C1	REAL300020236715	1	38	-1.0	-50.40	347.60	5.82	-44.58
O=C(NC1=CC=C(C(F)(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236716	0	38	-1.0	-41.32	328.34	5.34	-35.98
O=C(NC1=CC=C(C(F)(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236716	1	38	-1.0	-41.33	328.40	5.36	-35.97
O=C(NC1=CC=C(C(F)(F)F)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236717	0	35	-1.0	-48.96	312.79	4.45	-44.51
O=C(NC1=CC=C(C(F)(F)F)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236717	1	35	-1.0	-48.95	312.85	4.47	-44.48
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C(F)=C1)C1=N[N-]N=N1	REAL300020236718	0	38	-1.0	-46.76	356.30	4.42	-42.34
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C(F)=C1)C1=NN=N[N-]1	REAL300020236718	1	38	-1.0	-46.79	356.36	4.44	-42.35
O=C(NC1=CC=C(C(F)(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236719	0	35	-1.0	-41.22	314.17	4.51	-36.71
O=C(NC1=CC=C(C(F)(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236719	1	35	-1.0	-41.18	314.24	4.52	-36.66
O=C(NC1=CC=C(C(F)(F)F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236720	0	41	-1.0	-37.07	342.82	5.55	-31.52
O=C(NC1=CC=C(C(F)(F)F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236720	1	41	-1.0	-37.07	342.88	5.56	-31.51
O=C(NC1=CC(N2CCOCC2)=CC=C1[N+](=O)[O-])N1CCCC1C1=N[N-]N=N1	REAL300020236721	0	47	-1.0	-52.91	375.26	3.20	-49.71
O=C(NC1=CC(N2CCOCC2)=CC=C1[N+](=O)[O-])N1CCCC1C1=NN=N[N-]1	REAL300020236721	1	47	-1.0	-52.91	375.32	3.22	-49.69
O=C(NC1=CC(N2CCOCC2)=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020236722	0	47	-1.0	-43.72	376.41	3.22	-40.50
O=C(NC1=CC(N2CCOCC2)=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020236722	1	47	-1.0	-43.71	376.49	3.23	-40.48
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN2C=CN=C2N=C1	REAL300020236723	0	37	-1.0	-49.73	327.83	5.88	-43.85
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN2C=CN=C2N=C1	REAL300020236723	1	37	-1.0	-49.72	327.77	5.85	-43.87
O=C(NC1=CN2C=CN=C2N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236724	0	37	-1.0	-51.34	303.44	5.29	-46.05
O=C(NC1=CN2C=CN=C2N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236724	1	37	-1.0	-51.37	303.38	5.28	-46.09
CSCC[C@H](NC(=O)NC1=CN2C=CN=C2N=C1)C1=NN=N[N-]1	REAL300020236725	0	37	-1.0	-55.54	336.43	4.45	-51.09
CSCC[C@H](NC(=O)NC1=CN2C=CN=C2N=C1)C1=N[N-]N=N1	REAL300020236725	1	37	-1.0	-55.52	336.37	4.44	-51.08
O=C(NC1=CN2C=CN=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236726	0	40	-1.0	-42.31	319.68	5.57	-36.74
O=C(NC1=CN2C=CN=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236726	1	40	-1.0	-42.31	319.63	5.55	-36.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C1=NC=CO1	REAL300020236727	0	41	-1.0	-44.58	353.59	4.40	-40.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C1=NC=CO1	REAL300020236727	1	41	-1.0	-44.55	353.54	4.37	-40.18
O=C(NC1=CC=CC=C1C1=NC=CO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236728	0	41	-1.0	-45.61	334.15	3.94	-41.67
O=C(NC1=CC=CC=C1C1=NC=CO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236728	1	41	-1.0	-45.63	334.09	3.93	-41.70
O=C(NC1=CC=CC=C1C1=NC=CO1)N1CCCC1C1=NN=N[N-]1	REAL300020236729	0	38	-1.0	-56.75	319.93	3.01	-53.74
O=C(NC1=CC=CC=C1C1=NC=CO1)N1CCCC1C1=N[N-]N=N1	REAL300020236729	1	38	-1.0	-56.73	319.87	3.00	-53.73
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=NC=CO1)C1=NN=N[N-]1	REAL300020236730	0	41	-1.0	-49.64	363.59	2.98	-46.66
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=NC=CO1)C1=N[N-]N=N1	REAL300020236730	1	41	-1.0	-49.65	363.53	2.97	-46.68
O=C(NC1=CC=CC=C1C1=NC=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236731	0	38	-1.0	-45.57	320.29	3.06	-42.51
O=C(NC1=CC=CC=C1C1=NC=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236731	1	38	-1.0	-45.56	320.22	3.05	-42.51
O=C(NC1=CC=CC=C1C1=NC=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236732	0	44	-1.0	-53.05	342.77	4.92	-48.13
O=C(NC1=CC=CC=C1C1=NC=CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236732	1	44	-1.0	-53.02	342.72	4.93	-48.09
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(F)C=C1C#N	REAL300020236733	0	40	-1.0	-45.81	357.53	4.66	-41.15
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(F)C=C1C#N	REAL300020236733	1	40	-1.0	-45.81	357.47	4.64	-41.17
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(F)C=C1C#N	REAL300020236734	0	40	-1.0	-42.10	339.74	4.14	-37.96
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(F)C=C1C#N	REAL300020236734	1	40	-1.0	-42.17	339.80	4.15	-38.02
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(F)C=C1C#N	REAL300020236735	0	37	-1.0	-48.90	323.18	3.22	-45.68
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(F)C=C1C#N	REAL300020236735	1	37	-1.0	-48.85	323.24	3.24	-45.61
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(F)C=C1C#N	REAL300020236736	0	40	-1.0	-42.77	366.71	3.18	-39.59
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(F)C=C1C#N	REAL300020236736	1	40	-1.0	-42.81	366.76	3.20	-39.61
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(F)C=C1C#N	REAL300020236737	0	37	-1.0	-42.01	325.38	3.27	-38.74
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(F)C=C1C#N	REAL300020236737	1	37	-1.0	-42.05	325.45	3.29	-38.76
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(F)C=C1C#N	REAL300020236738	0	43	-1.0	-39.48	353.31	4.32	-35.16
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(F)C=C1C#N	REAL300020236738	1	43	-1.0	-39.50	353.35	4.35	-35.15
CC1=NN2C(=C1)N=C(NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C=C2N(C)C	REAL300020236739	0	48	-1.0	-51.31	397.74	7.39	-43.92
CC1=NN2C(=C1)N=C(NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C=C2N(C)C	REAL300020236739	1	48	-1.0	-51.31	397.68	7.36	-43.95
CC1=NN2C(=C1)N=C(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)C=C2N(C)C	REAL300020236740	0	48	-1.0	-53.56	378.48	6.89	-46.67
CC1=NN2C(=C1)N=C(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)C=C2N(C)C	REAL300020236740	1	48	-1.0	-53.58	378.53	6.91	-46.67
CC1=NN2C(=C1)N=C(NC(=O)N1CCCC1C1=N[N-]N=N1)C=C2N(C)C	REAL300020236741	0	45	-1.0	-66.34	364.01	6.00	-60.34
CC1=NN2C(=C1)N=C(NC(=O)N1CCCC1C1=NN=N[N-]1)C=C2N(C)C	REAL300020236741	1	45	-1.0	-66.36	364.06	6.00	-60.36
CSCC[C@H](NC(=O)NC1=NC2=CC(C)=NN2C(N(C)C)=C1)C1=N[N-]N=N1	REAL300020236742	0	48	-1.0	-58.08	406.68	5.95	-52.13
CSCC[C@H](NC(=O)NC1=NC2=CC(C)=NN2C(N(C)C)=C1)C1=NN=N[N-]1	REAL300020236742	1	48	-1.0	-58.07	406.74	5.97	-52.10
CC1=NN2C(=C1)N=C(NC(=O)N1CCC(C3=N[N-]N=N3)C1)C=C2N(C)C	REAL300020236743	0	45	-1.0	-54.67	365.48	6.05	-48.62
CC1=NN2C(=C1)N=C(NC(=O)N1CCC(C3=NN=N[N-]3)C1)C=C2N(C)C	REAL300020236743	1	45	-1.0	-54.68	365.55	6.06	-48.62
CC1=NN2C(=C1)N=C(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C=C2N(C)C	REAL300020236744	0	51	-1.0	-62.28	386.98	7.77	-54.51
CC1=NN2C(=C1)N=C(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C=C2N(C)C	REAL300020236744	1	51	-1.0	-62.28	387.04	7.78	-54.50
CC1(C)CCC2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2O1	REAL300020236745	0	49	-1.0	-49.74	391.79	6.79	-42.95
CC1(C)CCC2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2O1	REAL300020236745	1	49	-1.0	-49.69	391.74	6.77	-42.92
CC1(C)CCC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2O1	REAL300020236746	0	49	-1.0	-44.31	372.75	6.27	-38.04
CC1(C)CCC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2O1	REAL300020236746	1	49	-1.0	-44.31	372.81	6.29	-38.02
CC1(C)CCC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2O1	REAL300020236747	0	46	-1.0	-56.39	358.21	5.35	-51.04
CC1(C)CCC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2O1	REAL300020236747	1	46	-1.0	-56.41	358.27	5.36	-51.05
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OC(C)(C)CC2)C1=N[N-]N=N1	REAL300020236748	0	49	-1.0	-48.76	400.97	5.31	-43.45
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OC(C)(C)CC2)C1=NN=N[N-]1	REAL300020236748	1	49	-1.0	-48.74	401.03	5.33	-43.41
CC1(C)CCC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020236749	0	46	-1.0	-44.77	359.57	5.40	-39.37
CC1(C)CCC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020236749	1	46	-1.0	-44.77	359.64	5.42	-39.35
CC1(C)CCC2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2O1	REAL300020236750	0	52	-1.0	-44.67	380.74	6.41	-38.26
CC1(C)CCC2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2O1	REAL300020236750	1	52	-1.0	-44.73	380.75	6.43	-38.30
O=C(NC1=CC=CC(S(=O)(=O)C2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236751	0	45	-1.0	-71.14	386.88	4.15	-66.99
O=C(NC1=CC=CC(S(=O)(=O)C2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236751	1	45	-1.0	-71.15	386.94	4.16	-66.99
O=C(NC1=CC=CC(S(=O)(=O)C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236752	0	45	-1.0	-56.06	388.53	4.17	-51.89
O=C(NC1=CC=CC(S(=O)(=O)C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236752	1	45	-1.0	-56.06	388.60	4.19	-51.87
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236753	0	42	-2.0	-94.04	374.08	5.42	-88.62
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236753	1	42	-2.0	-94.04	374.14	5.43	-88.61
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020236754	0	39	-2.0	-117.73	358.26	4.31	-113.42
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020236754	1	39	-2.0	-117.76	358.32	4.33	-113.43
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236755	0	39	-2.0	-96.00	359.00	4.36	-91.64
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236755	1	39	-2.0	-96.03	359.08	4.37	-91.66
CC(C)(C)OC(=O)C(C)(C)N1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020236756	0	53	-1.0	-58.82	416.93	6.38	-52.44
CC(C)(C)OC(=O)C(C)(C)N1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020236756	1	53	-1.0	-58.78	416.87	6.36	-52.42
CC(C)(C)OC(=O)C(C)(C)N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020236757	0	53	-1.0	-49.12	418.42	6.42	-42.70
CC(C)(C)OC(=O)C(C)(C)N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020236757	1	53	-1.0	-49.12	418.35	6.41	-42.71
O=C(NC1=CC=C(OC2=CC=CN=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236758	0	44	-1.0	-61.60	385.11	3.77	-57.83
O=C(NC1=CC=C(OC2=CC=CN=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236758	1	44	-1.0	-61.57	385.05	3.75	-57.82
O=C(NC1=CC=C(OC2=CC=CN=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236759	0	44	-1.0	-51.74	365.36	3.36	-48.38
O=C(NC1=CC=C(OC2=CC=CN=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236759	1	44	-1.0	-51.75	365.30	3.35	-48.40
O=C(NC1=CC=C(OC2=CC=CN=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236760	0	41	-1.0	-60.67	349.85	2.45	-58.22
O=C(NC1=CC=C(OC2=CC=CN=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236760	1	41	-1.0	-60.63	349.80	2.45	-58.18
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CN=N2)C=C1)C1=NN=N[N-]1	REAL300020236761	0	44	-1.0	-57.76	393.24	2.45	-55.31
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CN=N2)C=C1)C1=N[N-]N=N1	REAL300020236761	1	44	-1.0	-57.72	393.18	2.44	-55.28
O=C(NC1=CC=C(OC2=CC=CN=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236762	0	41	-1.0	-51.49	351.12	2.53	-48.96
O=C(NC1=CC=C(OC2=CC=CN=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236762	1	41	-1.0	-51.46	351.04	2.52	-48.94
O=C(NC1=CC=C(OC2=CC=CN=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236763	0	47	-1.0	-59.70	373.96	4.20	-55.50
O=C(NC1=CC=C(OC2=CC=CN=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236763	1	47	-1.0	-59.68	373.91	4.20	-55.48
CC1=CN(C)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236764	0	38	-1.0	-48.85	328.70	4.44	-44.41
CC1=CN(C)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236764	1	38	-1.0	-48.80	328.64	4.41	-44.39
CSCC[C@H](NC(=O)NC1=NN(C)C=C1C)C1=NN=N[N-]1	REAL300020236765	0	38	-1.0	-55.35	337.69	3.02	-52.33
CSCC[C@H](NC(=O)NC1=NN(C)C=C1C)C1=N[N-]N=N1	REAL300020236765	1	38	-1.0	-55.40	337.63	3.01	-52.39
CC1=CN(C)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236766	0	41	-1.0	-58.41	317.99	4.84	-53.57
CC1=CN(C)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236766	1	41	-1.0	-58.40	317.94	4.82	-53.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C(N2CCOCC2)=C1	REAL300020236767	0	48	-1.0	-52.20	397.15	3.90	-48.30
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C(N2CCOCC2)=C1	REAL300020236767	1	48	-1.0	-52.22	397.21	3.92	-48.30
O=C(NC1=CC=C(F)C(N2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236768	0	48	-1.0	-42.85	378.30	3.41	-39.44
O=C(NC1=CC=C(F)C(N2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236768	1	48	-1.0	-42.85	378.36	3.43	-39.42
O=C(NC1=CC=C(F)C(N2CCOCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236769	0	45	-1.0	-50.98	362.85	2.50	-48.48
O=C(NC1=CC=C(F)C(N2CCOCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236769	1	45	-1.0	-50.99	362.91	2.51	-48.48
CSCC[C@H](NC(=O)NC1=CC=C(F)C(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL300020236770	0	48	-1.0	-45.04	406.06	2.48	-42.56
CSCC[C@H](NC(=O)NC1=CC=C(F)C(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL300020236770	1	48	-1.0	-45.01	406.11	2.50	-42.51
O=C(NC1=CC=C(F)C(N2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236771	0	45	-1.0	-42.83	364.19	2.54	-40.29
O=C(NC1=CC=C(F)C(N2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236771	1	45	-1.0	-42.81	364.26	2.56	-40.25
O=C(NC1=CC=C(F)C(N2CCOCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236772	0	51	-1.0	-40.37	390.56	3.59	-36.78
O=C(NC1=CC=C(F)C(N2CCOCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236772	1	51	-1.0	-40.07	390.67	3.60	-36.47
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236773	0	49	-1.0	-54.97	392.73	5.16	-49.81
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236773	1	49	-1.0	-54.99	392.78	5.18	-49.81
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020236774	0	46	-1.0	-67.19	377.39	4.25	-62.94
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020236774	1	46	-1.0	-67.19	377.45	4.26	-62.93
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020236775	0	46	-1.0	-57.65	377.80	4.32	-53.33
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020236775	1	46	-1.0	-57.67	377.87	4.33	-53.34
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236776	0	52	-1.0	-49.80	408.60	5.43	-44.37
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236776	1	52	-1.0	-49.86	408.65	5.45	-44.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2CCCCC2)=C1	REAL300020236777	0	51	-1.0	-56.61	405.13	8.55	-48.06
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2CCCCC2)=C1	REAL300020236777	1	51	-1.0	-56.65	405.08	8.53	-48.12
O=C(NC1=CC=CC(C2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236778	0	51	-1.0	-42.95	384.64	8.12	-34.83
O=C(NC1=CC=CC(C2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236778	1	51	-1.0	-42.96	384.70	8.13	-34.83
O=C(NC1=CC=CC(C2CCCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236779	0	48	-1.0	-58.52	370.33	7.19	-51.33
O=C(NC1=CC=CC(C2CCCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236779	1	48	-1.0	-58.49	370.39	7.21	-51.28
CSCC[C@H](NC(=O)NC1=CC=CC(C2CCCCC2)=C1)C1=N[N-]N=N1	REAL300020236780	0	51	-1.0	-51.05	414.11	7.12	-43.93
CSCC[C@H](NC(=O)NC1=CC=CC(C2CCCCC2)=C1)C1=NN=N[N-]1	REAL300020236780	1	51	-1.0	-51.01	414.17	7.14	-43.87
O=C(NC1=CC=CC(C2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236781	0	48	-1.0	-45.30	371.97	7.22	-38.08
O=C(NC1=CC=CC(C2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236781	1	48	-1.0	-45.28	372.04	7.23	-38.05
O=C(NC1=CC=CC(C2CCCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236782	0	54	-1.0	-42.24	398.39	8.26	-33.98
O=C(NC1=CC=CC(C2CCCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236782	1	54	-1.0	-42.28	398.42	8.27	-34.01
O=C(NC1=CC(Cl)=C(Br)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020236783	0	32	-1.0	-48.99	310.51	4.57	-44.42
O=C(NC1=CC(Cl)=C(Br)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020236783	1	32	-1.0	-48.98	310.57	4.60	-44.38
O=C(NC1=CC(Cl)=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020236784	0	32	-1.0	-39.92	311.05	4.62	-35.30
O=C(NC1=CC(Cl)=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020236784	1	32	-1.0	-39.94	311.12	4.64	-35.30
COC(=O)C(C)(C)N1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020236785	0	47	-1.0	-45.79	397.96	4.52	-41.27
COC(=O)C(C)(C)N1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020236785	1	47	-1.0	-45.77	397.91	4.49	-41.28
COC(=O)C(C)(C)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020236786	0	47	-1.0	-46.68	378.78	4.06	-42.62
COC(=O)C(C)(C)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020236786	1	47	-1.0	-46.63	378.72	4.04	-42.59
COC(=O)C(C)(C)N1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020236787	0	44	-1.0	-58.46	363.35	3.14	-55.32
COC(=O)C(C)(C)N1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020236787	1	44	-1.0	-58.50	363.29	3.12	-55.38
COC(=O)C(C)(C)N1C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020236788	0	47	-1.0	-50.24	406.95	3.10	-47.14
COC(=O)C(C)(C)N1C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020236788	1	47	-1.0	-50.23	406.89	3.09	-47.14
COC(=O)C(C)(C)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020236789	0	44	-1.0	-47.53	364.78	3.18	-44.35
COC(=O)C(C)(C)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020236789	1	44	-1.0	-47.49	364.70	3.17	-44.32
COC(=O)C(C)(C)N1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020236790	0	50	-1.0	-55.29	386.77	4.93	-50.36
COC(=O)C(C)(C)N1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020236790	1	50	-1.0	-55.29	386.73	4.93	-50.36
O=C(NC1=CC=CC(C2=C(Cl)SN=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236791	0	40	-1.0	-48.47	356.18	4.85	-43.62
O=C(NC1=CC=CC(C2=C(Cl)SN=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236791	1	40	-1.0	-48.46	356.23	4.86	-43.60
O=C(NC1=CC=CC(C2=C(Cl)SN=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236792	0	37	-1.0	-65.72	340.78	3.92	-61.80
O=C(NC1=CC=CC(C2=C(Cl)SN=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236792	1	37	-1.0	-65.73	340.84	3.93	-61.80
O=C(NC1=CC=CC(C2=C(Cl)SN=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236793	0	37	-1.0	-51.37	342.13	3.96	-47.41
O=C(NC1=CC=CC(C2=C(Cl)SN=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236793	1	37	-1.0	-51.37	342.20	3.98	-47.39
CC1=C(Cl)C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2N=C1	REAL300020236794	0	43	-1.0	-52.43	375.78	6.38	-46.05
CC1=C(Cl)C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2N=C1	REAL300020236794	1	43	-1.0	-52.42	375.72	6.36	-46.06
CC1=C(Cl)C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2N=C1	REAL300020236795	0	43	-1.0	-43.91	358.21	5.84	-38.07
CC1=C(Cl)C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2N=C1	REAL300020236795	1	43	-1.0	-43.93	358.16	5.83	-38.10
CC1=C(Cl)C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2N=C1	REAL300020236796	0	40	-1.0	-54.15	341.54	4.99	-49.16
CC1=C(Cl)C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2N=C1	REAL300020236796	1	40	-1.0	-54.17	341.49	4.97	-49.20
CSCC[C@H](NC(=O)NC1=CC=CC2=C(Cl)C(C)=CN=C12)C1=NN=N[N-]1	REAL300020236797	0	43	-1.0	-46.95	385.22	4.93	-42.02
CSCC[C@H](NC(=O)NC1=CC=CC2=C(Cl)C(C)=CN=C12)C1=N[N-]N=N1	REAL300020236797	1	43	-1.0	-46.94	385.16	4.91	-42.03
CC1=C(Cl)C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2N=C1	REAL300020236798	0	40	-1.0	-43.76	343.87	4.99	-38.77
CC1=C(Cl)C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2N=C1	REAL300020236798	1	40	-1.0	-43.79	343.80	4.98	-38.81
CC1=C(Cl)C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2N=C1	REAL300020236799	0	46	-1.0	-50.39	365.83	6.74	-43.65
CC1=C(Cl)C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2N=C1	REAL300020236799	1	46	-1.0	-50.39	365.77	6.74	-43.65
NC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300020236800	0	39	-1.0	-40.89	355.62	4.32	-36.57
NC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300020236800	1	39	-1.0	-40.89	355.56	4.30	-36.59
NC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300020236801	0	39	-1.0	-41.72	336.62	3.83	-37.89
NC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300020236801	1	39	-1.0	-41.75	336.68	3.84	-37.91
NC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300020236802	0	36	-1.0	-48.17	321.55	2.86	-45.31
NC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300020236802	1	36	-1.0	-48.15	321.61	2.89	-45.26
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC([N+](=O)[O-])=C1N)C1=N[N-]N=N1	REAL300020236803	0	39	-1.0	-42.98	365.41	2.87	-40.11
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC([N+](=O)[O-])=C1N)C1=NN=N[N-]1	REAL300020236803	1	39	-1.0	-43.00	365.47	2.88	-40.12
NC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300020236804	0	36	-1.0	-41.66	323.82	2.91	-38.75
NC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300020236804	1	36	-1.0	-41.69	323.89	2.93	-38.76
NC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300020236805	0	42	-1.0	-35.38	350.57	4.01	-31.37
NC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(Cl)C=C1[N+](=O)[O-]	REAL300020236805	1	42	-1.0	-35.38	350.62	4.02	-31.36
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020236806	0	38	-1.0	-43.07	348.17	4.61	-38.46
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020236806	1	38	-1.0	-43.09	348.11	4.58	-38.51
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020236807	0	38	-1.0	-44.21	328.92	4.14	-40.07
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020236807	1	38	-1.0	-44.21	328.98	4.15	-40.06
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020236808	0	35	-1.0	-52.01	313.49	3.22	-48.79
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020236808	1	35	-1.0	-52.02	313.55	3.25	-48.77
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020236809	0	38	-1.0	-45.95	357.09	3.18	-42.77
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020236809	1	38	-1.0	-45.95	357.15	3.19	-42.76
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020236810	0	35	-1.0	-44.08	314.95	3.26	-40.82
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020236810	1	35	-1.0	-44.10	315.02	3.28	-40.82
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020236811	0	41	-1.0	-47.89	337.16	5.01	-42.88
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020236811	1	41	-1.0	-47.90	337.20	5.01	-42.89
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN2N=CC=C2N=C1	REAL300020236812	0	37	-1.0	-44.95	328.22	3.72	-41.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN2N=CC=C2N=C1	REAL300020236812	1	37	-1.0	-44.91	328.16	3.69	-41.22
O=C(NC1=CN2N=CC=C2N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236813	0	37	-1.0	-45.67	304.22	3.07	-42.60
O=C(NC1=CN2N=CC=C2N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236813	1	37	-1.0	-45.62	304.16	3.06	-42.56
CSCC[C@H](NC(=O)NC1=CN2N=CC=C2N=C1)C1=NN=N[N-]1	REAL300020236814	0	37	-1.0	-48.47	337.19	2.24	-46.23
CSCC[C@H](NC(=O)NC1=CN2N=CC=C2N=C1)C1=N[N-]N=N1	REAL300020236814	1	37	-1.0	-48.48	337.14	2.22	-46.26
O=C(NC1=CN2N=CC=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236815	0	40	-1.0	-40.74	319.73	3.44	-37.30
O=C(NC1=CN2N=CC=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236815	1	40	-1.0	-40.79	319.68	3.43	-37.36
CSC1=NC2=CC=CC=C2C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236816	0	47	-1.0	-48.80	380.01	6.54	-42.26
CSC1=NC2=CC=CC=C2C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236816	1	47	-1.0	-48.80	380.06	6.55	-42.25
CSC1=NC2=CC=CC=C2C(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236817	0	44	-1.0	-59.96	371.81	5.93	-54.03
CSC1=NC2=CC=CC=C2C(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236817	1	44	-1.0	-59.98	371.86	5.94	-54.04
CSC1=NC2=CC=CC=C2C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236818	0	44	-1.0	-48.50	373.21	5.97	-42.53
CSC1=NC2=CC=CC=C2C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236818	1	44	-1.0	-48.51	373.28	5.98	-42.53
CSC1=NC2=CC=CC=C2C(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236819	0	50	-1.0	-44.11	383.25	5.76	-38.35
CSC1=NC2=CC=CC=C2C(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236819	1	50	-1.0	-44.15	383.31	5.77	-38.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=NC=CC2=NC=CN=C21	REAL300020236820	0	38	-1.0	-47.81	334.44	3.14	-44.67
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=NC=CC2=NC=CN=C21	REAL300020236820	1	38	-1.0	-47.79	334.39	3.11	-44.68
O=C(NC1=NC=CC2=NC=CN=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236821	0	38	-1.0	-49.47	315.22	2.63	-46.84
O=C(NC1=NC=CC2=NC=CN=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236821	1	38	-1.0	-49.47	315.16	2.62	-46.85
O=C(NC1=NC=CC2=NC=CN=C21)N1CCCC1C1=NN=N[N-]1	REAL300020236822	0	35	-1.0	-61.02	299.82	1.76	-59.26
O=C(NC1=NC=CC2=NC=CN=C21)N1CCCC1C1=N[N-]N=N1	REAL300020236822	1	35	-1.0	-61.00	299.76	1.73	-59.27
CSCC[C@H](NC(=O)NC1=NC=CC2=NC=CN=C21)C1=NN=N[N-]1	REAL300020236823	0	38	-1.0	-53.54	343.43	1.71	-51.83
CSCC[C@H](NC(=O)NC1=NC=CC2=NC=CN=C21)C1=N[N-]N=N1	REAL300020236823	1	38	-1.0	-53.56	343.37	1.70	-51.86
O=C(NC1=NC=CC2=NC=CN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020236824	0	35	-1.0	-49.96	301.27	1.81	-48.15
O=C(NC1=NC=CC2=NC=CN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020236824	1	35	-1.0	-49.94	301.20	1.80	-48.14
O=C(NC1=NC=CC2=NC=CN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020236825	0	41	-1.0	-56.44	323.73	3.53	-52.91
O=C(NC1=NC=CC2=NC=CN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020236825	1	41	-1.0	-56.43	323.68	3.52	-52.91
CN1N=C2CCCCC2=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236826	0	45	-1.0	-45.12	366.82	5.57	-39.55
CN1N=C2CCCCC2=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236826	1	45	-1.0	-45.08	366.76	5.54	-39.54
CN1N=C2CCCCC2=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236827	0	45	-1.0	-44.20	343.67	5.02	-39.18
CN1N=C2CCCCC2=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236827	1	45	-1.0	-44.27	343.73	5.03	-39.24
CN1N=C2CCCCC2=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236828	0	42	-1.0	-52.99	328.38	4.10	-48.89
CN1N=C2CCCCC2=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236828	1	42	-1.0	-52.98	328.44	4.13	-48.85
CSCC[C@H](NC(=O)NC1=C2CCCCC2=NN1C)C1=N[N-]N=N1	REAL300020236829	0	45	-1.0	-46.63	371.89	4.06	-42.57
CSCC[C@H](NC(=O)NC1=C2CCCCC2=NN1C)C1=NN=N[N-]1	REAL300020236829	1	45	-1.0	-46.66	371.95	4.08	-42.58
CN1N=C2CCCCC2=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236830	0	42	-1.0	-43.82	329.70	4.17	-39.65
CN1N=C2CCCCC2=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236830	1	42	-1.0	-43.79	329.78	4.18	-39.61
CN1N=C2CCCCC2=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236831	0	48	-1.0	-51.42	354.04	5.87	-45.55
CN1N=C2CCCCC2=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236831	1	48	-1.0	-51.44	354.14	5.87	-45.57
COC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236832	0	39	-1.0	-42.15	333.22	4.35	-37.80
COC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236832	1	39	-1.0	-42.17	333.28	4.36	-37.81
COC1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236833	0	36	-1.0	-50.93	317.80	3.42	-47.51
COC1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236833	1	36	-1.0	-50.97	317.86	3.45	-47.52
COC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236834	0	36	-1.0	-41.87	319.98	3.46	-38.41
COC1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236834	1	36	-1.0	-41.89	320.06	3.48	-38.41
COC1=CC(Br)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236835	0	42	-1.0	-40.17	345.38	4.57	-35.60
COC1=CC(Br)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236835	1	42	-1.0	-40.17	345.44	4.58	-35.59
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020236836	0	35	-1.0	-43.90	315.19	4.55	-39.35
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020236836	1	35	-1.0	-43.91	315.13	4.53	-39.38
CSCC[C@H](NC(=O)NC1=CSC(C)=C1)C1=N[N-]N=N1	REAL300020236837	0	35	-1.0	-46.99	323.87	3.07	-43.92
CSCC[C@H](NC(=O)NC1=CSC(C)=C1)C1=NN=N[N-]1	REAL300020236837	1	35	-1.0	-47.00	323.92	3.08	-43.92
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020236838	0	38	-1.0	-41.63	310.96	4.23	-37.40
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020236838	1	38	-1.0	-41.65	311.01	4.24	-37.41
CN(C)C(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020236839	0	45	-1.0	-45.21	379.65	4.71	-40.50
CN(C)C(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020236839	1	45	-1.0	-45.20	379.60	4.69	-40.51
CN(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020236840	0	45	-1.0	-46.14	362.04	4.33	-41.81
CN(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020236840	1	45	-1.0	-46.15	362.10	4.34	-41.81
CN(C)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020236841	0	42	-1.0	-57.60	343.78	3.27	-54.33
CN(C)C(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020236841	1	42	-1.0	-57.58	343.84	3.30	-54.28
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)N(C)C)C=C1F)C1=N[N-]N=N1	REAL300020236842	0	45	-1.0	-49.80	389.39	3.32	-46.48
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)N(C)C)C=C1F)C1=NN=N[N-]1	REAL300020236842	1	45	-1.0	-49.80	389.45	3.33	-46.47
CN(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020236843	0	42	-1.0	-43.72	346.49	3.39	-40.33
CN(C)C(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020236843	1	42	-1.0	-43.76	346.57	3.40	-40.36
CN(C)C(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020236844	0	48	-1.0	-46.80	370.55	5.29	-41.51
CN(C)C(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020236844	1	48	-1.0	-46.75	370.61	5.30	-41.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(OC2=CC=CC=C2)N=C1	REAL300020236845	0	44	-1.0	-48.19	384.59	3.07	-45.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(OC2=CC=CC=C2)N=C1	REAL300020236845	1	44	-1.0	-48.19	384.53	3.04	-45.15
O=C(NC1=CN=C(OC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236846	0	44	-1.0	-47.37	365.63	2.57	-44.80
O=C(NC1=CN=C(OC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236846	1	44	-1.0	-47.31	365.57	2.56	-44.75
O=C(NC1=CN=C(OC2=CC=CC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236847	0	41	-1.0	-55.57	349.16	1.73	-53.84
O=C(NC1=CN=C(OC2=CC=CC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236847	1	41	-1.0	-55.55	349.10	1.70	-53.85
CSCC[C@H](NC(=O)NC1=CN=C(OC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020236848	0	44	-1.0	-50.23	393.23	1.73	-48.50
CSCC[C@H](NC(=O)NC1=CN=C(OC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020236848	1	44	-1.0	-50.24	393.17	1.71	-48.53
O=C(NC1=CN=C(OC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236849	0	41	-1.0	-47.31	351.02	1.77	-45.54
O=C(NC1=CN=C(OC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236849	1	41	-1.0	-47.30	350.95	1.76	-45.54
O=C(NC1=CN=C(OC2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236850	0	47	-1.0	-42.32	380.45	2.74	-39.58
O=C(NC1=CN=C(OC2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236850	1	47	-1.0	-42.33	380.40	2.73	-39.60
CC1(C)C=CC2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2O1	REAL300020236851	0	47	-1.0	-49.08	388.03	6.70	-42.38
CC1(C)C=CC2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2O1	REAL300020236851	1	47	-1.0	-49.01	387.98	6.67	-42.34
CC1(C)C=CC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2O1	REAL300020236852	0	47	-1.0	-44.24	368.34	6.22	-38.02
CC1(C)C=CC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2O1	REAL300020236852	1	47	-1.0	-44.31	368.40	6.23	-38.08
CC1(C)C=CC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2O1	REAL300020236853	0	44	-1.0	-55.00	353.82	5.29	-49.71
CC1(C)C=CC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2O1	REAL300020236853	1	44	-1.0	-54.97	353.88	5.31	-49.66
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OC(C)(C)C=C2)C1=N[N-]N=N1	REAL300020236854	0	47	-1.0	-48.72	397.35	5.26	-43.46
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OC(C)(C)C=C2)C1=NN=N[N-]1	REAL300020236854	1	47	-1.0	-48.72	397.41	5.27	-43.45
CC1(C)C=CC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020236855	0	44	-1.0	-44.62	355.97	5.33	-39.29
CC1(C)C=CC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020236855	1	44	-1.0	-44.61	356.04	5.35	-39.26
CC1(C)C=CC2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2O1	REAL300020236856	0	50	-1.0	-51.59	377.74	7.08	-44.51
CC1(C)C=CC2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2O1	REAL300020236856	1	50	-1.0	-51.62	377.80	7.08	-44.54
O=C(NC1=CC=C(OC2=CC(F)=CC(F)=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236857	0	42	-1.0	-50.60	367.14	3.95	-46.65
O=C(NC1=CC=C(OC2=CC(F)=CC(F)=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236857	1	42	-1.0	-50.56	367.08	3.93	-46.63
O=C(NC1=CC=C(OC2=CC(F)=CC(F)=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236858	0	42	-1.0	-42.62	369.06	3.99	-38.63
O=C(NC1=CC=C(OC2=CC(F)=CC(F)=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236858	1	42	-1.0	-42.61	368.98	3.98	-38.63
O=C(NC1=NC(COC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236859	0	45	-1.0	-42.34	378.43	5.76	-36.58
O=C(NC1=NC(COC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236859	1	45	-1.0	-42.36	378.48	5.77	-36.59
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236859	1	44	-2.0	-89.42	377.40	4.90	-84.52
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236859	1	44	-2.0	-89.42	377.46	4.92	-84.50
O=C(NC1=NC(COC2=CC=CC=C2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020236860	0	42	-1.0	-49.52	362.99	4.83	-44.69
O=C(NC1=NC(COC2=CC=CC=C2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020236860	1	42	-1.0	-49.51	363.05	4.85	-44.66
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020236860	1	41	-2.0	-109.57	361.59	3.78	-105.79
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020236860	1	41	-2.0	-109.54	361.64	3.81	-105.73
O=C(NC1=NC(COC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236861	0	42	-1.0	-41.23	364.45	4.88	-36.35
O=C(NC1=NC(COC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236861	1	42	-1.0	-41.22	364.53	4.89	-36.33
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236861	1	41	-2.0	-89.48	362.36	3.84	-85.64
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236861	1	41	-2.0	-89.46	362.44	3.86	-85.60
O=C(NC1=NC(COC2=CC=CC=C2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236862	0	48	-1.0	-46.48	386.68	6.61	-39.87
O=C(NC1=NC(COC2=CC=CC=C2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236862	1	48	-1.0	-46.54	386.73	6.62	-39.92
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236862	1	47	-2.0	-106.96	386.01	5.89	-101.07
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236862	1	47	-2.0	-106.96	386.05	5.91	-101.05
CCNC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)S1	REAL300020236863	0	45	-1.0	-50.42	391.35	3.78	-46.64
CCNC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)S1	REAL300020236863	1	45	-1.0	-50.39	391.30	3.76	-46.63
CCNC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)S1	REAL300020236864	0	45	-1.0	-52.18	372.07	3.28	-48.90
CCNC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)S1	REAL300020236864	1	45	-1.0	-52.22	372.13	3.30	-48.92
CCNC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(C)S1	REAL300020236865	0	42	-1.0	-66.97	356.75	2.38	-64.59
CCNC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(C)S1	REAL300020236865	1	42	-1.0	-66.91	356.81	2.39	-64.52
CCNC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C)S1	REAL300020236866	0	45	-1.0	-57.90	400.28	2.34	-55.56
CCNC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C)S1	REAL300020236866	1	45	-1.0	-57.90	400.34	2.36	-55.54
CCNC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020236867	0	42	-1.0	-53.90	357.94	2.42	-51.48
CCNC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020236867	1	42	-1.0	-53.87	358.01	2.44	-51.43
CCNC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)S1	REAL300020236868	0	48	-1.0	-47.95	388.32	3.47	-44.48
CCNC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)S1	REAL300020236868	1	48	-1.0	-47.90	388.37	3.47	-44.43
CC1COCCN1C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020236869	0	48	-1.0	-56.59	391.21	3.71	-52.88
CC1COCCN1C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020236869	1	48	-1.0	-56.63	391.27	3.73	-52.90
CC1COCCN1C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020236870	0	48	-1.0	-45.22	392.59	3.77	-41.45
CC1COCCN1C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020236870	1	48	-1.0	-45.23	392.66	3.77	-41.46
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020236871	0	48	-1.0	-53.90	396.09	6.55	-47.35
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020236871	1	48	-1.0	-53.87	396.04	6.53	-47.34
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020236872	0	48	-1.0	-43.72	377.16	6.03	-37.69
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020236872	1	48	-1.0	-43.74	377.22	6.05	-37.69
CCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020236873	0	45	-1.0	-53.20	361.68	5.13	-48.07
CCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020236873	1	45	-1.0	-53.18	361.74	5.15	-48.03
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020236874	0	48	-1.0	-49.55	405.21	5.10	-44.45
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020236874	1	48	-1.0	-49.49	405.27	5.11	-44.38
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020236875	0	45	-1.0	-44.13	363.06	5.19	-38.94
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020236875	1	45	-1.0	-44.14	363.14	5.21	-38.93
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020236876	0	51	-1.0	-41.54	389.53	6.23	-35.31
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020236876	1	51	-1.0	-41.51	389.57	6.24	-35.27
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020236877	0	35	-1.0	-60.01	320.16	4.89	-55.12
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020236877	1	35	-1.0	-60.03	320.11	4.86	-55.17
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C=N1)C1=NN=N[N-]1	REAL300020236878	0	35	-1.0	-51.75	329.17	3.46	-48.29
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C=N1)C1=N[N-]N=N1	REAL300020236878	1	35	-1.0	-51.75	329.12	3.45	-48.30
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020236879	0	38	-1.0	-53.29	309.19	5.28	-48.01
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020236879	1	38	-1.0	-53.28	309.14	5.27	-48.01
COCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020236880	0	46	-1.0	-56.34	384.88	4.04	-52.30
COCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020236880	1	46	-1.0	-56.38	384.82	4.01	-52.37
COCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020236881	0	46	-1.0	-45.52	365.88	3.50	-42.02
COCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020236881	1	46	-1.0	-45.46	365.94	3.52	-41.94
COCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC	REAL300020236882	0	43	-1.0	-54.61	350.51	2.61	-52.00
COCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC	REAL300020236882	1	43	-1.0	-54.64	350.57	2.62	-52.02
COCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020236883	0	46	-1.0	-50.29	394.00	2.57	-47.72
COCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020236883	1	46	-1.0	-50.33	394.06	2.58	-47.75
COCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020236884	0	43	-1.0	-45.39	351.88	2.66	-42.73
COCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020236884	1	43	-1.0	-45.43	351.95	2.67	-42.76
COCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020236885	0	49	-1.0	-42.22	380.23	3.72	-38.50
COCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020236885	1	49	-1.0	-42.22	380.28	3.74	-38.48
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020236886	0	45	-1.0	-60.70	382.39	5.85	-54.85
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020236886	1	45	-1.0	-60.70	382.34	5.82	-54.88
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020236887	0	45	-1.0	-48.10	363.14	5.37	-42.73
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020236887	1	45	-1.0	-48.09	363.20	5.39	-42.70
CCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020236888	0	42	-1.0	-61.14	347.56	4.48	-56.66
CCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020236888	1	42	-1.0	-61.16	347.62	4.49	-56.67
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020236889	0	45	-1.0	-44.94	391.10	4.45	-40.49
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020236889	1	45	-1.0	-44.96	391.16	4.46	-40.50
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020236890	0	42	-1.0	-48.54	348.97	4.54	-44.00
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020236890	1	42	-1.0	-48.52	349.04	4.55	-43.97
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020236891	0	48	-1.0	-41.31	377.62	5.57	-35.74
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020236891	1	48	-1.0	-41.30	377.68	5.59	-35.71
CC1CC(=O)N(C)C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020236892	0	49	-1.0	-57.81	400.05	6.17	-51.64
CC1CC(=O)N(C)C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020236892	1	49	-1.0	-57.75	399.99	6.14	-51.61
CC1CC(=O)N(C)C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020236893	0	49	-1.0	-46.21	380.33	5.74	-40.47
CC1CC(=O)N(C)C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020236893	1	49	-1.0	-46.20	380.38	5.75	-40.45
CC1CC(=O)N(C)C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020236894	0	46	-1.0	-57.91	365.25	4.80	-53.11
CC1CC(=O)N(C)C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020236894	1	46	-1.0	-57.86	365.31	4.82	-53.04
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C(C)CC(=O)N2C)C1=N[N-]N=N1	REAL300020236895	0	49	-1.0	-49.27	408.44	4.78	-44.49
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C(C)CC(=O)N2C)C1=NN=N[N-]1	REAL300020236895	1	49	-1.0	-49.29	408.49	4.80	-44.49
CC1CC(=O)N(C)C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020236896	0	46	-1.0	-47.68	366.56	4.85	-42.83
CC1CC(=O)N(C)C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020236896	1	46	-1.0	-47.70	366.63	4.86	-42.84
CC1CC(=O)N(C)C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020236897	0	52	-1.0	-41.21	393.32	5.88	-35.33
CC1CC(=O)N(C)C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020236897	1	52	-1.0	-41.17	393.36	5.89	-35.28
COCCNS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020236898	0	47	-1.0	-58.26	399.80	-0.51	-58.77
COCCNS(=O)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020236898	1	47	-1.0	-58.29	399.86	-0.49	-58.78
COCCNS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020236899	0	47	-1.0	-48.79	400.86	-0.44	-49.23
COCCNS(=O)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020236899	1	47	-1.0	-48.80	400.93	-0.42	-49.22
O=C(NC1=NOC(C2CC2)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236900	0	38	-1.0	-40.85	331.05	5.58	-35.27
O=C(NC1=NOC(C2CC2)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236900	1	38	-1.0	-40.86	331.00	5.56	-35.30
O=C(NC1=NOC(C2CC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236901	0	38	-1.0	-42.74	311.84	5.09	-37.65
O=C(NC1=NOC(C2CC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236901	1	38	-1.0	-42.75	311.90	5.10	-37.65
CSCC[C@H](NC(=O)NC1=NOC(C2CC2)=C1)C1=N[N-]N=N1	REAL300020236902	0	38	-1.0	-44.30	339.98	4.14	-40.16
CSCC[C@H](NC(=O)NC1=NOC(C2CC2)=C1)C1=NN=N[N-]1	REAL300020236902	1	38	-1.0	-44.26	340.03	4.16	-40.10
O=C(NC1=NOC(C2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236903	0	41	-1.0	-47.17	320.36	6.09	-41.08
O=C(NC1=NOC(C2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236903	1	41	-1.0	-47.19	320.42	6.09	-41.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=NSN=C21	REAL300020236904	0	36	-1.0	-47.66	326.66	3.13	-44.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=NSN=C21	REAL300020236904	1	36	-1.0	-47.66	326.60	3.10	-44.56
O=C(NC1=CC=CC2=NSN=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236905	0	36	-1.0	-44.30	308.21	2.68	-41.62
O=C(NC1=CC=CC2=NSN=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236905	1	36	-1.0	-44.30	308.16	2.66	-41.64
O=C(NC1=CC=CC2=NSN=C21)N1CCCC1C1=NN=N[N-]1	REAL300020236906	0	33	-1.0	-51.62	292.23	1.73	-49.89
O=C(NC1=CC=CC2=NSN=C21)N1CCCC1C1=N[N-]N=N1	REAL300020236906	1	33	-1.0	-51.65	292.17	1.73	-49.92
CSCC[C@H](NC(=O)NC1=CC=CC2=NSN=C21)C1=NN=N[N-]1	REAL300020236907	0	36	-1.0	-45.15	335.75	1.70	-43.45
CSCC[C@H](NC(=O)NC1=CC=CC2=NSN=C21)C1=N[N-]N=N1	REAL300020236907	1	36	-1.0	-45.13	335.70	1.69	-43.44
O=C(NC1=CC=CC2=NSN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020236908	0	33	-1.0	-42.97	294.19	1.79	-41.18
O=C(NC1=CC=CC2=NSN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020236908	1	33	-1.0	-43.00	294.11	1.78	-41.22
O=C(NC1=CC=CC2=NSN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020236909	0	39	-1.0	-43.61	320.15	2.82	-40.79
O=C(NC1=CC=CC2=NSN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020236909	1	39	-1.0	-43.54	320.11	2.82	-40.72
CCC1=CC(Cl)=CN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236910	0	40	-1.0	-57.58	355.63	6.53	-51.05
CCC1=CC(Cl)=CN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236910	1	40	-1.0	-57.59	355.58	6.50	-51.09
CCC1=CC(Cl)=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236911	0	40	-1.0	-45.46	336.45	6.05	-39.41
CCC1=CC(Cl)=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236911	1	40	-1.0	-45.45	336.39	6.03	-39.42
CCC1=CC(Cl)=CN=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236912	0	37	-1.0	-57.79	320.99	5.13	-52.66
CCC1=CC(Cl)=CN=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236912	1	37	-1.0	-57.81	320.93	5.12	-52.69
CCC1=CC(Cl)=CN=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020236913	0	40	-1.0	-49.66	364.62	5.10	-44.56
CCC1=CC(Cl)=CN=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020236913	1	40	-1.0	-49.66	364.56	5.09	-44.57
CCC1=CC(Cl)=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236914	0	37	-1.0	-46.81	322.47	5.18	-41.63
CCC1=CC(Cl)=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236914	1	37	-1.0	-46.84	322.40	5.17	-41.67
CCC1=CC(Cl)=CN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236915	0	43	-1.0	-53.17	344.67	6.89	-46.28
CCC1=CC(Cl)=CN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236915	1	43	-1.0	-53.15	344.62	6.89	-46.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C1CCC(=O)N1	REAL300020236916	0	46	-1.0	-57.53	380.47	4.53	-53.00
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C1CCC(=O)N1	REAL300020236916	1	46	-1.0	-57.53	380.42	4.51	-53.02
O=C(NC1=CC=CC=C1C1CCC(=O)N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236917	0	46	-1.0	-47.95	362.81	4.08	-43.87
O=C(NC1=CC=CC=C1C1CCC(=O)N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236917	1	46	-1.0	-47.97	362.86	4.10	-43.87
O=C(NC1=CC=CC=C1C1CCC(=O)N1)N1CCCC1C1=N[N-]N=N1	REAL300020236918	0	43	-1.0	-56.37	346.23	3.15	-53.22
O=C(NC1=CC=CC=C1C1CCC(=O)N1)N1CCCC1C1=NN=N[N-]1	REAL300020236918	1	43	-1.0	-56.45	346.29	3.16	-53.29
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1CCC(=O)N1)C1=N[N-]N=N1	REAL300020236919	0	46	-1.0	-50.21	389.73	3.12	-47.09
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1CCC(=O)N1)C1=NN=N[N-]1	REAL300020236919	1	46	-1.0	-50.24	389.79	3.13	-47.11
O=C(NC1=CC=CC=C1C1CCC(=O)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236920	0	43	-1.0	-47.93	347.57	3.20	-44.73
O=C(NC1=CC=CC=C1C1CCC(=O)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236920	1	43	-1.0	-47.91	347.64	3.22	-44.69
O=C(NC1=CC=CC=C1C1CCC(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236921	0	49	-1.0	-42.13	370.86	4.20	-37.93
O=C(NC1=CC=CC=C1C1CCC(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236921	1	49	-1.0	-42.20	370.96	4.22	-37.98
O=C(NC1=CC=C(N2C=CC(=O)N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236922	0	43	-1.0	-57.37	370.17	4.17	-53.20
O=C(NC1=CC=C(N2C=CC(=O)N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236922	1	43	-1.0	-57.40	370.11	4.14	-53.26
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236922	1	42	-2.0	-121.14	368.15	3.39	-117.75
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236922	1	42	-2.0	-121.17	368.10	3.37	-117.80
O=C(NC1=CC=C(N2C=CC(=O)N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236923	0	43	-1.0	-53.76	349.80	3.75	-50.01
O=C(NC1=CC=C(N2C=CC(=O)N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236923	1	43	-1.0	-53.73	349.86	3.77	-49.96
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236923	1	42	-2.0	-99.25	349.10	2.92	-96.33
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236923	1	42	-2.0	-99.28	349.16	2.94	-96.34
O=C(NC1=CC=C(N2C=CC(=O)N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236924	0	40	-1.0	-56.99	335.68	2.79	-54.20
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236924	1	39	-2.0	-119.12	333.39	2.02	-117.10
O=C(NC1=CC=C(N2C=CC(=O)N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236924	1	40	-1.0	-56.99	335.62	2.77	-54.22
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236924	1	39	-2.0	-119.11	333.45	2.04	-117.07
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC(=O)N2)C=C1)C1=NN=N[N-]1	REAL300020236925	0	43	-1.0	-51.50	378.94	2.78	-48.72
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)C1=N[N-]N=N1	REAL300020236925	1	42	-2.0	-98.75	376.86	1.99	-96.76
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC(=O)N2)C=C1)C1=N[N-]N=N1	REAL300020236925	1	43	-1.0	-51.47	378.88	2.76	-48.71
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)C1=NN=N[N-]1	REAL300020236925	1	42	-2.0	-98.74	376.92	2.01	-96.73
O=C(NC1=CC=C(N2C=CC(=O)N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236926	0	40	-1.0	-54.48	337.01	2.82	-51.66
O=C(NC1=CC=C(N2C=CC(=O)N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236926	1	40	-1.0	-54.48	337.08	2.84	-51.64
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236926	1	39	-2.0	-101.35	334.69	2.08	-99.27
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236926	1	39	-2.0	-101.35	334.77	2.09	-99.26
O=C(NC1=CC=C(N2C=CC(=O)N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236927	0	46	-1.0	-60.82	356.49	4.65	-56.17
O=C(NC1=CC=C(N2C=CC(=O)N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236927	1	46	-1.0	-60.89	356.53	4.66	-56.23
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236927	1	45	-2.0	-102.68	354.47	3.88	-98.80
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236927	1	45	-2.0	-102.71	354.51	3.89	-98.82
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=CC(Cl)=C1	REAL300020236928	0	34	-1.0	-41.44	314.94	3.49	-37.95
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=CC(Cl)=C1	REAL300020236928	1	34	-1.0	-41.43	314.88	3.47	-37.96
O=C(NC1=CN=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236929	0	34	-1.0	-42.27	295.59	3.06	-39.21
O=C(NC1=CN=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236929	1	34	-1.0	-42.28	295.53	3.04	-39.24
CSCC[C@H](NC(=O)NC1=CN=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020236930	0	34	-1.0	-45.91	323.75	2.10	-43.81
CSCC[C@H](NC(=O)NC1=CN=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020236930	1	34	-1.0	-45.93	323.70	2.09	-43.84
O=C(NC1=CN=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236931	0	37	-1.0	-38.29	308.46	3.19	-35.10
O=C(NC1=CN=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236931	1	37	-1.0	-38.29	308.43	3.19	-35.10
CCCN(C)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236932	0	49	-1.0	-46.69	395.86	6.16	-40.53
CCCN(C)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236932	1	49	-1.0	-46.68	395.80	6.14	-40.54
CCCN(C)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236933	0	49	-1.0	-41.75	376.32	5.68	-36.07
CCCN(C)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236933	1	49	-1.0	-41.75	376.37	5.70	-36.05
CCCN(C)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020236934	0	46	-1.0	-53.54	362.45	4.65	-48.89
CCCN(C)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020236934	1	46	-1.0	-53.59	362.51	4.68	-48.91
CCCN(C)C1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020236935	0	49	-1.0	-46.34	405.17	4.69	-41.65
CCCN(C)C1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020236935	1	49	-1.0	-46.37	405.23	4.71	-41.66
CCCN(C)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020236936	0	46	-1.0	-42.21	363.02	4.78	-37.43
CCCN(C)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020236936	1	46	-1.0	-42.24	363.09	4.78	-37.46
CCCN(C)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020236937	0	52	-1.0	-42.18	391.78	5.89	-36.29
CCCN(C)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020236937	1	52	-1.0	-42.21	391.83	5.90	-36.31
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020236938	0	49	-1.0	-43.55	405.29	5.70	-37.85
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020236938	1	49	-1.0	-43.54	405.23	5.68	-37.86
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020236939	0	49	-1.0	-45.15	386.28	5.18	-39.97
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020236939	1	49	-1.0	-45.18	386.33	5.19	-39.99
CCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC	REAL300020236940	0	46	-1.0	-55.23	370.56	4.31	-50.92
CCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC	REAL300020236940	1	46	-1.0	-55.21	370.62	4.33	-50.88
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC	REAL300020236941	0	49	-1.0	-48.30	414.11	4.27	-44.03
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC	REAL300020236941	1	49	-1.0	-48.33	414.16	4.29	-44.04
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020236942	0	46	-1.0	-45.11	372.27	4.34	-40.77
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020236942	1	46	-1.0	-45.10	372.34	4.35	-40.75
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020236943	0	52	-1.0	-42.93	398.64	5.36	-37.57
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020236943	1	52	-1.0	-42.90	398.68	5.38	-37.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=NC2=CC=CC=C2C=C1	REAL300020236944	0	40	-1.0	-50.28	345.62	6.65	-43.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=NC2=CC=CC=C2C=C1	REAL300020236944	1	40	-1.0	-50.25	345.57	6.62	-43.63
O=C(NC1=NC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236945	0	40	-1.0	-45.15	323.76	5.52	-39.63
O=C(NC1=NC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236945	1	40	-1.0	-45.15	323.70	5.51	-39.64
O=C(NC1=NC2=CC=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236946	0	37	-1.0	-66.73	310.95	5.28	-61.45
O=C(NC1=NC2=CC=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236946	1	37	-1.0	-66.74	310.89	5.26	-61.48
CSCC[C@H](NC(=O)NC1=NC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020236947	0	40	-1.0	-57.85	354.62	5.22	-52.63
CSCC[C@H](NC(=O)NC1=NC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020236947	1	40	-1.0	-57.83	354.57	5.21	-52.62
O=C(NC1=NC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236948	0	37	-1.0	-53.98	312.47	5.31	-48.67
O=C(NC1=NC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236948	1	37	-1.0	-54.02	312.40	5.30	-48.72
O=C(NC1=NC2=CC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236949	0	43	-1.0	-62.31	334.97	7.16	-55.15
O=C(NC1=NC2=CC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236949	1	43	-1.0	-62.31	334.92	7.15	-55.16
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020236950	0	40	-1.0	-59.06	354.10	5.13	-53.93
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020236950	1	40	-1.0	-59.06	354.05	5.11	-53.95
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020236951	0	40	-1.0	-47.88	334.86	4.65	-43.23
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020236951	1	40	-1.0	-47.85	334.80	4.63	-43.22
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL300020236952	0	37	-1.0	-58.29	319.58	3.74	-54.55
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL300020236952	1	37	-1.0	-58.30	319.52	3.73	-54.57
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1	REAL300020236953	0	40	-1.0	-51.38	363.11	3.71	-47.67
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1	REAL300020236953	1	40	-1.0	-51.44	363.05	3.69	-47.75
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020236954	0	37	-1.0	-48.90	320.96	3.79	-45.11
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020236954	1	37	-1.0	-48.87	320.89	3.78	-45.09
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020236955	0	43	-1.0	-53.50	343.13	5.52	-47.98
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020236955	1	43	-1.0	-53.47	343.08	5.52	-47.95
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NC=C1C#N	REAL300020236956	0	38	-1.0	-48.85	339.22	5.44	-43.41
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NC=C1C#N	REAL300020236956	1	38	-1.0	-48.85	339.17	5.41	-43.44
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC=C1C#N	REAL300020236957	0	38	-1.0	-42.26	317.58	4.30	-37.96
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC=C1C#N	REAL300020236957	1	38	-1.0	-42.30	317.64	4.31	-37.99
CSCC[C@H](NC(=O)NC1=CC(C)=C(C#N)C=N1)C1=N[N-]N=N1	REAL300020236958	0	38	-1.0	-51.03	348.50	3.97	-47.06
CSCC[C@H](NC(=O)NC1=CC(C)=C(C#N)C=N1)C1=NN=N[N-]1	REAL300020236958	1	38	-1.0	-51.00	348.56	3.99	-47.01
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=C1C#N	REAL300020236959	0	41	-1.0	-53.33	328.81	5.77	-47.56
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=C1C#N	REAL300020236959	1	41	-1.0	-53.29	328.87	5.79	-47.50
N#CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020236960	0	35	-1.0	-46.33	318.98	3.32	-43.01
N#CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020236960	1	35	-1.0	-46.33	318.92	3.30	-43.03
CSCC[C@H](NC(=O)NC1=CC=NC(C#N)=C1)C1=NN=N[N-]1	REAL300020236961	0	35	-1.0	-44.40	328.20	1.88	-42.52
CSCC[C@H](NC(=O)NC1=CC=NC(C#N)=C1)C1=N[N-]N=N1	REAL300020236961	1	35	-1.0	-44.38	328.15	1.87	-42.51
N#CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020236962	0	38	-1.0	-37.79	314.42	3.01	-34.78
N#CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020236962	1	38	-1.0	-37.80	314.37	2.99	-34.81
N#CC1=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Br	REAL300020236963	0	35	-1.0	-53.53	339.77	5.32	-48.21
N#CC1=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Br	REAL300020236963	1	35	-1.0	-53.51	339.72	5.29	-48.22
N#CC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Br	REAL300020236964	0	35	-1.0	-41.59	318.11	4.19	-37.40
N#CC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Br	REAL300020236964	1	35	-1.0	-41.55	318.05	4.17	-37.38
N#CC1=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Br	REAL300020236965	0	32	-1.0	-64.27	305.50	3.89	-60.38
N#CC1=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Br	REAL300020236965	1	32	-1.0	-64.27	305.44	3.87	-60.40
CSCC[C@H](NC(=O)NC1=CC=C(Br)C(C#N)=N1)C1=NN=N[N-]1	REAL300020236966	0	35	-1.0	-56.19	349.04	3.85	-52.34
CSCC[C@H](NC(=O)NC1=CC=C(Br)C(C#N)=N1)C1=N[N-]N=N1	REAL300020236966	1	35	-1.0	-56.21	348.98	3.83	-52.38
N#CC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020236967	0	32	-1.0	-53.81	306.85	3.95	-49.86
N#CC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020236967	1	32	-1.0	-53.80	306.78	3.93	-49.87
N#CC1=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Br	REAL300020236968	0	38	-1.0	-59.97	329.43	5.65	-54.32
N#CC1=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Br	REAL300020236968	1	38	-1.0	-59.97	329.38	5.63	-54.34
COC1=CN=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236969	0	38	-1.0	-44.05	327.76	2.26	-41.79
COC1=CN=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020236969	1	38	-1.0	-44.04	327.70	2.23	-41.81
COC1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236970	0	38	-1.0	-44.99	308.41	1.82	-43.17
COC1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236970	1	38	-1.0	-45.00	308.35	1.81	-43.19
COC1=CN=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020236971	0	38	-1.0	-49.60	336.57	0.87	-48.73
COC1=CN=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020236971	1	38	-1.0	-49.62	336.51	0.85	-48.77
COC1=CN=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236972	0	41	-1.0	-42.67	321.29	1.96	-40.71
COC1=CN=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236972	1	41	-1.0	-42.68	321.25	1.95	-40.73
CC1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020236973	0	40	-1.0	-46.32	338.66	5.92	-40.40
CC1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020236973	1	40	-1.0	-46.31	338.60	5.89	-40.42
CC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020236974	0	40	-1.0	-48.45	319.47	5.43	-43.02
CC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020236974	1	40	-1.0	-48.46	319.42	5.42	-43.04
CSCC[C@H](NC(=O)NC1=NC=C(C)C=C1C)C1=NN=N[N-]1	REAL300020236975	0	40	-1.0	-52.92	347.63	4.49	-48.43
CSCC[C@H](NC(=O)NC1=NC=C(C)C=C1C)C1=N[N-]N=N1	REAL300020236975	1	40	-1.0	-52.90	347.57	4.48	-48.42
CC1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020236976	0	43	-1.0	-55.79	327.92	6.30	-49.49
CC1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020236976	1	43	-1.0	-55.81	327.87	6.29	-49.52
N#CCC1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236977	0	38	-1.0	-52.53	341.44	5.69	-46.84
N#CCC1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020236977	1	38	-1.0	-52.50	341.38	5.67	-46.83
N#CCC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236978	0	38	-1.0	-48.67	319.69	4.54	-44.13
N#CCC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236978	1	38	-1.0	-48.66	319.74	4.55	-44.11
CSCC[C@H](NC(=O)NC1=CC(CC#N)=CC=N1)C1=N[N-]N=N1	REAL300020236979	0	38	-1.0	-57.57	350.63	4.21	-53.36
CSCC[C@H](NC(=O)NC1=CC(CC#N)=CC=N1)C1=NN=N[N-]1	REAL300020236979	1	38	-1.0	-57.67	350.69	4.23	-53.44
N#CCC1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236980	0	41	-1.0	-61.17	331.03	6.00	-55.17
N#CCC1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236980	1	41	-1.0	-61.18	331.08	6.01	-55.17
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(CN2CCOCC2)=N1	REAL300020236981	0	50	-1.0	-51.39	408.63	3.50	-47.89
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(CN2CCOCC2)=N1	REAL300020236981	1	50	-1.0	-51.38	408.69	3.52	-47.86
O=C(NC1=CC=CC(CN2CCOCC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236982	0	50	-1.0	-43.92	386.77	2.36	-41.56
O=C(NC1=CC=CC(CN2CCOCC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236982	1	50	-1.0	-43.94	386.82	2.38	-41.56
O=C(NC1=CC=CC(CN2CCOCC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020236983	0	47	-1.0	-62.50	374.36	2.07	-60.43
O=C(NC1=CC=CC(CN2CCOCC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020236983	1	47	-1.0	-62.50	374.42	2.10	-60.40
CSCC[C@H](NC(=O)NC1=CC=CC(CN2CCOCC2)=N1)C1=N[N-]N=N1	REAL300020236984	0	50	-1.0	-54.52	417.88	2.04	-52.48
CSCC[C@H](NC(=O)NC1=CC=CC(CN2CCOCC2)=N1)C1=NN=N[N-]1	REAL300020236984	1	50	-1.0	-54.50	417.94	2.06	-52.44
O=C(NC1=CC=CC(CN2CCOCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236985	0	47	-1.0	-51.49	375.71	2.14	-49.35
O=C(NC1=CC=CC(CN2CCOCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236985	1	47	-1.0	-51.50	375.79	2.16	-49.34
O=C(NC1=CC=CC(CN2CCOCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236986	0	53	-1.0	-56.55	398.29	3.83	-52.72
O=C(NC1=CC=CC(CN2CCOCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236986	1	53	-1.0	-56.54	398.35	3.84	-52.70
CS(=O)(=O)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236987	0	40	-1.0	-52.73	360.39	2.00	-50.73
CS(=O)(=O)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020236987	1	40	-1.0	-52.73	360.33	1.97	-50.76
CS(=O)(=O)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236988	0	40	-1.0	-51.95	338.51	0.90	-51.05
CS(=O)(=O)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236988	1	40	-1.0	-51.95	338.46	0.89	-51.06
CS(=O)(=O)C1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020236989	0	37	-1.0	-64.05	325.70	0.63	-63.42
CS(=O)(=O)C1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020236989	1	37	-1.0	-64.03	325.64	0.62	-63.41
CSCC[C@H](NC(=O)NC1=CC(S(C)(=O)=O)=CC=N1)C1=NN=N[N-]1	REAL300020236990	0	40	-1.0	-58.92	369.38	0.57	-58.35
CSCC[C@H](NC(=O)NC1=CC(S(C)(=O)=O)=CC=N1)C1=N[N-]N=N1	REAL300020236990	1	40	-1.0	-58.89	369.33	0.56	-58.33
CS(=O)(=O)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020236991	0	37	-1.0	-55.43	327.25	0.67	-54.76
CS(=O)(=O)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020236991	1	37	-1.0	-55.43	327.18	0.65	-54.78
CS(=O)(=O)C1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236992	0	43	-1.0	-54.97	353.40	1.14	-53.83
CS(=O)(=O)C1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236992	1	43	-1.0	-54.99	353.35	1.14	-53.85
C[NH+](C)CC1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236993	0	46	0.0	-76.27	377.68	6.44	-69.83
CN(C)CC1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020236993	1	45	-1.0	-45.47	375.06	3.93	-41.54
CN(C)CC1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020236993	1	45	-1.0	-45.44	375.12	3.96	-41.48
C[NH+](C)CC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236994	0	46	0.0	-62.96	355.87	5.27	-57.69
C[NH+](C)CC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236994	1	46	0.0	-62.97	355.93	5.29	-57.68
CN(C)CC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020236994	1	45	-1.0	-42.84	353.31	2.79	-40.05
CN(C)CC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020236994	1	45	-1.0	-42.87	353.37	2.80	-40.07
C[NH+](C)CC1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020236995	0	43	0.0	-87.59	343.12	5.03	-82.56
C[NH+](C)CC1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020236995	1	43	0.0	-87.53	343.18	5.04	-82.49
CN(C)CC1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020236995	1	42	-1.0	-59.14	340.75	2.53	-56.61
CN(C)CC1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020236995	1	42	-1.0	-59.13	340.81	2.54	-56.59
CSCC[C@H](NC(=O)NC1=CC(C[NH+](C)C)=CC=N1)C1=N[N-]N=N1	REAL300020236996	0	46	0.0	-80.55	386.87	4.97	-75.58
CSCC[C@H](NC(=O)NC1=CC(C[NH+](C)C)=CC=N1)C1=NN=N[N-]1	REAL300020236996	1	46	0.0	-80.56	386.92	4.98	-75.58
CSCC[C@H](NC(=O)NC1=CC(CN(C)C)=CC=N1)C1=N[N-]N=N1	REAL300020236996	1	45	-1.0	-51.75	384.33	2.48	-49.27
CSCC[C@H](NC(=O)NC1=CC(CN(C)C)=CC=N1)C1=NN=N[N-]1	REAL300020236996	1	45	-1.0	-51.73	384.38	2.50	-49.23
C[NH+](C)CC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020236997	0	43	0.0	-79.81	344.68	5.06	-74.75
C[NH+](C)CC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020236997	1	43	0.0	-79.81	344.76	5.08	-74.73
CN(C)CC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020236997	1	42	-1.0	-48.24	342.34	2.58	-45.66
CN(C)CC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020236997	1	42	-1.0	-48.26	342.41	2.59	-45.67
C[NH+](C)CC1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236998	0	49	0.0	-79.14	367.27	6.75	-72.39
C[NH+](C)CC1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236998	1	49	0.0	-79.13	367.32	6.76	-72.37
CN(C)CC1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020236998	1	48	-1.0	-46.62	368.95	3.46	-43.16
CN(C)CC1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020236998	1	48	-1.0	-46.62	369.00	3.46	-43.16
O=C(NC1=CC(Cl)=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236999	0	34	-1.0	-40.92	313.87	4.43	-36.49
O=C(NC1=CC(Cl)=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236999	1	34	-1.0	-40.93	313.81	4.42	-36.51
O=C(NC1=CC(Cl)=C(Br)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020237000	0	31	-1.0	-53.84	301.21	4.17	-49.67
O=C(NC1=CC(Cl)=C(Br)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020237000	1	31	-1.0	-53.89	301.15	4.16	-49.73
O=C(NC1=CC(Cl)=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237001	0	31	-1.0	-44.84	302.59	4.22	-40.62
O=C(NC1=CC(Cl)=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237001	1	31	-1.0	-44.80	302.52	4.20	-40.60
CN(C)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=[NH+]1	REAL300020237002	0	43	0.0	-55.61	352.26	4.98	-50.63
CN(C)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020237002	1	42	-1.0	-50.14	351.26	4.66	-45.48
CN(C)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020237002	1	42	-1.0	-50.11	351.32	4.68	-45.43
CN(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=[NH+]1	REAL300020237003	0	43	0.0	-55.87	335.03	4.49	-51.38
CN(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020237003	1	42	-1.0	-44.01	331.80	4.18	-39.83
CN(C)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=[NH+]1	REAL300020237004	0	40	0.0	-56.00	317.93	3.59	-52.41
CN(C)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300020237004	1	39	-1.0	-54.23	317.53	3.24	-50.99
CSCC[C@H](NC(=O)NC1=CC=[NH+]C(N(C)C)=C1)C1=NN=N[N-]1	REAL300020237005	0	43	0.0	-54.23	362.04	3.57	-50.66
CSCC[C@H](NC(=O)NC1=CC=NC(N(C)C)=C1)C1=NN=N[N-]1	REAL300020237005	1	42	-1.0	-47.25	360.82	3.22	-44.03
CN(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=[NH+]1	REAL300020237006	0	40	0.0	-55.45	321.10	3.64	-51.81
CN(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020237006	1	39	-1.0	-45.25	318.91	3.29	-41.96
CN(C)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=[NH+]1	REAL300020237007	0	46	0.0	-38.38	348.75	4.70	-33.68
CN(C)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020237007	1	45	-1.0	-42.45	348.38	4.33	-38.12
CN(C)CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020237008	0	45	-1.0	-52.91	374.64	2.69	-50.22
CN(C)CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020237008	1	45	-1.0	-52.93	374.70	2.72	-50.21
C[NH+](C)CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020237008	1	46	0.0	-50.49	377.12	5.23	-45.26
CN(C)CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020237009	0	45	-1.0	-43.98	355.76	1.87	-42.11
CN(C)CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020237009	1	45	-1.0	-44.05	355.81	1.89	-42.16
C[NH+](C)CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020237009	1	46	0.0	-65.49	358.17	4.73	-60.76
CN(C)CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL300020237010	0	42	-1.0	-51.64	340.39	1.30	-50.34
CN(C)CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300020237010	1	42	-1.0	-51.62	340.45	1.32	-50.30
C[NH+](C)CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300020237010	1	43	0.0	-69.53	342.86	3.45	-66.08
CSCC[C@H](NC(=O)NC1=CC=NC(CN(C)C)=C1)C1=N[N-]N=N1	REAL300020237011	0	45	-1.0	-46.61	383.95	0.92	-45.69
CSCC[C@H](NC(=O)NC1=CC=NC(CN(C)C)=C1)C1=NN=N[N-]1	REAL300020237011	1	45	-1.0	-46.60	384.01	0.94	-45.66
CSCC[C@H](NC(=O)NC1=CC=NC(C[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300020237011	1	46	0.0	-53.41	386.17	3.83	-49.58
CN(C)CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020237012	0	42	-1.0	-43.19	341.75	1.36	-41.83
CN(C)CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020237012	1	42	-1.0	-43.18	341.82	1.36	-41.82
C[NH+](C)CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020237012	1	43	0.0	-55.24	344.27	3.51	-51.73
CN(C)CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020237013	0	48	-1.0	-41.27	370.12	2.39	-38.88
CN(C)CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020237013	1	48	-1.0	-41.29	370.17	2.41	-38.88
C[NH+](C)CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020237013	1	49	0.0	-47.11	372.62	4.55	-42.56
O=C(NC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237014	0	49	-1.0	-44.88	394.17	7.63	-37.25
O=C(NC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237014	1	49	-1.0	-44.88	394.22	7.64	-37.24
O=C(NC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237015	0	46	-1.0	-62.92	379.76	6.67	-56.25
O=C(NC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237015	1	46	-1.0	-62.95	379.82	6.69	-56.26
CSCC[C@H](NC(=O)NC1=CC=CC(OCC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020237016	0	49	-1.0	-47.81	423.29	6.64	-41.17
CSCC[C@H](NC(=O)NC1=CC=CC(OCC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020237016	1	49	-1.0	-47.80	423.34	6.66	-41.14
O=C(NC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237017	0	46	-1.0	-44.50	381.10	6.72	-37.78
O=C(NC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237017	1	46	-1.0	-44.51	381.18	6.73	-37.78
O=C(NC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237018	0	52	-1.0	-50.27	403.42	8.46	-41.81
O=C(NC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237018	1	52	-1.0	-50.33	403.47	8.48	-41.85
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(SC(F)(F)F)=C1	REAL300020237019	0	39	-1.0	-54.90	359.64	6.19	-48.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(SC(F)(F)F)=C1	REAL300020237019	1	39	-1.0	-54.86	359.70	6.22	-48.64
O=C(NC1=CC=CC(SC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237020	0	39	-1.0	-44.70	340.58	5.75	-38.95
O=C(NC1=CC=CC(SC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237020	1	39	-1.0	-44.69	340.64	5.76	-38.93
O=C(NC1=CC=CC(SC(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237021	0	36	-1.0	-55.39	324.89	4.86	-50.53
O=C(NC1=CC=CC(SC(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237021	1	36	-1.0	-55.38	324.95	4.87	-50.51
CSCC[C@H](NC(=O)NC1=CC=CC(SC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020237022	0	39	-1.0	-43.60	368.42	4.84	-38.76
CSCC[C@H](NC(=O)NC1=CC=CC(SC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020237022	1	39	-1.0	-43.61	368.47	4.85	-38.76
O=C(NC1=CC=CC(SC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237023	0	36	-1.0	-44.55	326.53	4.88	-39.67
O=C(NC1=CC=CC(SC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237023	1	36	-1.0	-44.57	326.60	4.90	-39.67
O=C(NC1=CC=CC(SC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237024	0	42	-1.0	-38.22	354.91	5.94	-32.28
O=C(NC1=CC=CC(SC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237024	1	42	-1.0	-38.21	354.96	5.96	-32.25
CC1(C)CC(=O)C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2O1	REAL300020237025	0	48	-1.0	-53.54	395.24	5.89	-47.65
CC1(C)CC(=O)C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2O1	REAL300020237025	1	48	-1.0	-53.58	395.19	5.87	-47.71
CC1(C)CC(=O)C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2O1	REAL300020237026	0	48	-1.0	-43.80	376.46	5.40	-38.40
CC1(C)CC(=O)C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2O1	REAL300020237026	1	48	-1.0	-43.79	376.51	5.42	-38.37
CC1(C)CC(=O)C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2O1	REAL300020237027	0	45	-1.0	-54.08	361.95	4.47	-49.61
CC1(C)CC(=O)C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2O1	REAL300020237027	1	45	-1.0	-54.10	362.01	4.49	-49.61
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OC(C)(C)CC2=O)C1=N[N-]N=N1	REAL300020237028	0	48	-1.0	-47.50	405.50	4.43	-43.07
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OC(C)(C)CC2=O)C1=NN=N[N-]1	REAL300020237028	1	48	-1.0	-47.54	405.56	4.45	-43.09
CC1(C)CC(=O)C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020237029	0	45	-1.0	-44.43	363.29	4.51	-39.92
CC1(C)CC(=O)C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020237029	1	45	-1.0	-44.47	363.36	4.53	-39.94
CC1(C)CC(=O)C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2O1	REAL300020237030	0	51	-1.0	-50.78	388.28	5.97	-44.81
CC1(C)CC(=O)C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2O1	REAL300020237030	1	51	-1.0	-50.76	388.32	5.97	-44.79
CN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C1CC1	REAL300020237031	0	42	-1.0	-44.83	354.71	4.49	-40.34
CN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C1CC1	REAL300020237031	1	42	-1.0	-44.86	354.65	4.47	-40.39
CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C1CC1	REAL300020237032	0	42	-1.0	-46.79	336.16	4.20	-42.59
CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C1CC1	REAL300020237032	1	42	-1.0	-46.83	336.22	4.21	-42.62
CN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C1CC1	REAL300020237033	0	39	-1.0	-58.82	320.00	3.10	-55.72
CN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C1CC1	REAL300020237033	1	39	-1.0	-58.82	320.06	3.12	-55.70
CSCC[C@H](NC(=O)NC1=C(C2CC2)N(C)N=C1)C1=N[N-]N=N1	REAL300020237034	0	42	-1.0	-50.70	363.59	3.06	-47.64
CSCC[C@H](NC(=O)NC1=C(C2CC2)N(C)N=C1)C1=NN=N[N-]1	REAL300020237034	1	42	-1.0	-50.73	363.65	3.08	-47.65
CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020237035	0	39	-1.0	-47.36	321.79	3.33	-44.03
CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020237035	1	39	-1.0	-47.37	321.87	3.35	-44.02
CN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C1CC1	REAL300020237036	0	45	-1.0	-55.02	343.32	4.89	-50.13
CN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C1CC1	REAL300020237036	1	45	-1.0	-55.08	343.36	4.91	-50.17
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C12	REAL300020237037	0	45	-1.0	-43.27	373.47	6.52	-36.75
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C12	REAL300020237037	1	45	-1.0	-43.29	373.42	6.50	-36.79
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C12	REAL300020237038	0	45	-1.0	-45.04	354.00	6.04	-39.00
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C12	REAL300020237038	1	45	-1.0	-45.06	354.06	6.05	-39.01
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020237039	0	42	-1.0	-55.37	340.24	5.15	-50.22
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020237039	1	42	-1.0	-55.41	340.30	5.17	-50.24
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020237040	0	45	-1.0	-49.26	383.90	5.12	-44.14
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020237040	1	45	-1.0	-49.22	383.95	5.14	-44.08
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020237041	0	42	-1.0	-45.38	341.74	5.20	-40.18
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020237041	1	42	-1.0	-45.38	341.82	5.21	-40.17
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020237042	0	48	-1.0	-51.72	363.74	6.93	-44.79
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020237042	1	48	-1.0	-51.64	363.80	6.94	-44.70
CN1N=C(C2CCOCC2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237043	0	49	-1.0	-44.48	397.83	4.82	-39.66
CN1N=C(C2CCOCC2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237043	1	49	-1.0	-44.51	397.88	4.84	-39.67
CN1N=C(C2CCOCC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237044	0	49	-1.0	-45.84	378.64	4.35	-41.49
CN1N=C(C2CCOCC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237044	1	49	-1.0	-45.89	378.69	4.36	-41.53
CN1N=C(C2CCOCC2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237045	0	46	-1.0	-57.49	363.20	3.45	-54.04
CN1N=C(C2CCOCC2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237045	1	46	-1.0	-57.50	363.26	3.46	-54.04
CSCC[C@H](NC(=O)NC1=CC(C2CCOCC2)=NN1C)C1=N[N-]N=N1	REAL300020237046	0	49	-1.0	-49.20	406.81	3.39	-45.81
CSCC[C@H](NC(=O)NC1=CC(C2CCOCC2)=NN1C)C1=NN=N[N-]1	REAL300020237046	1	49	-1.0	-49.18	406.86	3.41	-45.77
CN1N=C(C2CCOCC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237047	0	46	-1.0	-46.51	364.66	3.49	-43.02
CN1N=C(C2CCOCC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237047	1	46	-1.0	-46.50	364.73	3.50	-43.00
CN1N=C(C2CCOCC2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237048	0	52	-1.0	-54.46	386.64	5.23	-49.23
CN1N=C(C2CCOCC2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237048	1	52	-1.0	-54.46	386.68	5.23	-49.23
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(C=C1Cl)CCC2	REAL300020237049	0	42	-1.0	-40.62	362.33	7.32	-33.30
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(C=C1Cl)CCC2	REAL300020237049	1	42	-1.0	-40.65	362.27	7.30	-33.35
O=C(NC1=CC2=C(C=C1Cl)CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237050	0	42	-1.0	-42.54	343.06	6.84	-35.70
O=C(NC1=CC2=C(C=C1Cl)CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237050	1	42	-1.0	-42.53	343.12	6.85	-35.68
O=C(NC1=CC2=C(C=C1Cl)CCC2)N1CCCC1C1=N[N-]N=N1	REAL300020237051	0	39	-1.0	-52.11	328.12	5.92	-46.19
O=C(NC1=CC2=C(C=C1Cl)CCC2)N1CCCC1C1=NN=N[N-]1	REAL300020237051	1	39	-1.0	-52.14	328.18	5.93	-46.21
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1Cl)CCC2)C1=N[N-]N=N1	REAL300020237052	0	42	-1.0	-46.19	372.55	5.91	-40.28
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1Cl)CCC2)C1=NN=N[N-]1	REAL300020237052	1	42	-1.0	-46.15	372.60	5.92	-40.23
O=C(NC1=CC2=C(C=C1Cl)CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020237053	0	39	-1.0	-42.39	330.36	5.99	-36.40
O=C(NC1=CC2=C(C=C1Cl)CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020237053	1	39	-1.0	-42.43	330.43	6.00	-36.43
O=C(NC1=CC2=C(C=C1Cl)CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020237054	0	45	-1.0	-47.82	350.14	7.65	-40.17
O=C(NC1=CC2=C(C=C1Cl)CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020237054	1	45	-1.0	-47.82	350.19	7.66	-40.16
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2CCOCC2)=C1	REAL300020237055	0	49	-1.0	-55.11	395.90	6.15	-48.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2CCOCC2)=C1	REAL300020237055	1	49	-1.0	-55.07	395.85	6.12	-48.95
O=C(NC1=CC=CC(C2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237056	0	49	-1.0	-43.93	375.48	5.71	-38.22
O=C(NC1=CC=CC(C2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237056	1	49	-1.0	-43.96	375.54	5.73	-38.23
O=C(NC1=CC=CC(C2CCOCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237057	0	46	-1.0	-56.80	361.04	4.79	-52.01
O=C(NC1=CC=CC(C2CCOCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237057	1	46	-1.0	-56.81	361.10	4.80	-52.01
CSCC[C@H](NC(=O)NC1=CC=CC(C2CCOCC2)=C1)C1=N[N-]N=N1	REAL300020237058	0	49	-1.0	-49.77	404.81	4.72	-45.05
CSCC[C@H](NC(=O)NC1=CC=CC(C2CCOCC2)=C1)C1=NN=N[N-]1	REAL300020237058	1	49	-1.0	-49.81	404.87	4.73	-45.08
O=C(NC1=CC=CC(C2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237059	0	46	-1.0	-44.90	362.68	4.81	-40.09
O=C(NC1=CC=CC(C2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237059	1	46	-1.0	-44.91	362.75	4.83	-40.08
O=C(NC1=CC=CC(C2CCOCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237060	0	52	-1.0	-49.14	384.70	6.56	-42.58
O=C(NC1=CC=CC(C2CCOCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237060	1	52	-1.0	-49.19	384.75	6.57	-42.62
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020237061	0	48	-1.0	-60.30	408.11	7.55	-52.75
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020237061	1	48	-1.0	-60.33	408.16	7.57	-52.76
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020237062	0	48	-1.0	-49.35	389.08	7.13	-42.22
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020237062	1	48	-1.0	-49.40	389.14	7.15	-42.25
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020237063	0	45	-1.0	-62.15	373.47	6.17	-55.98
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020237063	1	45	-1.0	-62.13	373.53	6.20	-55.93
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020237064	0	48	-1.0	-54.35	417.14	6.14	-48.21
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020237064	1	48	-1.0	-54.33	417.19	6.16	-48.17
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020237065	0	45	-1.0	-49.25	374.96	6.24	-43.01
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020237065	1	45	-1.0	-49.26	375.03	6.24	-43.02
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020237066	0	51	-1.0	-50.58	396.90	8.01	-42.57
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020237066	1	51	-1.0	-50.61	396.95	8.03	-42.58
O=C(NC1=CC=CC2=CC=CC(Br)=C21)N1CCCC1C1=N[N-]N=N1	REAL300020237067	0	38	-1.0	-56.23	329.48	6.98	-49.25
O=C(NC1=CC=CC2=CC=CC(Br)=C21)N1CCCC1C1=NN=N[N-]1	REAL300020237067	1	38	-1.0	-56.22	329.54	6.99	-49.23
O=C(NC1=CC=CC2=CC=CC(Br)=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020237068	0	38	-1.0	-45.28	325.58	6.92	-38.36
O=C(NC1=CC=CC2=CC=CC(Br)=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020237068	1	38	-1.0	-45.31	325.65	6.92	-38.39
O=C(NC1=NN(C2CCSCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237069	0	46	-1.0	-43.08	387.94	6.51	-36.57
O=C(NC1=NN(C2CCSCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237069	1	46	-1.0	-43.06	387.88	6.48	-36.58
O=C(NC1=NN(C2CCSCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237070	0	46	-1.0	-44.95	368.75	6.03	-38.92
O=C(NC1=NN(C2CCSCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237070	1	46	-1.0	-44.99	368.69	6.01	-38.98
O=C(NC1=NN(C2CCSCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237071	0	43	-1.0	-53.24	353.27	5.11	-48.13
O=C(NC1=NN(C2CCSCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237071	1	43	-1.0	-53.28	353.21	5.10	-48.18
CSCC[C@H](NC(=O)NC1=NN(C2CCSCC2)C=C1)C1=NN=N[N-]1	REAL300020237072	0	46	-1.0	-47.21	396.90	5.08	-42.13
CSCC[C@H](NC(=O)NC1=NN(C2CCSCC2)C=C1)C1=N[N-]N=N1	REAL300020237072	1	46	-1.0	-47.26	396.84	5.07	-42.19
O=C(NC1=NN(C2CCSCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237073	0	43	-1.0	-43.95	354.76	5.16	-38.79
O=C(NC1=NN(C2CCSCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237073	1	43	-1.0	-43.95	354.68	5.14	-38.81
O=C(NC1=NN(C2CCSCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237074	0	49	-1.0	-48.80	376.70	6.91	-41.89
O=C(NC1=NN(C2CCSCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237074	1	49	-1.0	-48.81	376.66	6.91	-41.90
CC(C)(C)C1=CC2=CC=CN=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237075	0	52	-1.0	-46.05	399.09	7.21	-38.84
CC(C)(C)C1=CC2=CC=CN=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237075	1	52	-1.0	-46.08	399.03	7.19	-38.89
CC(C)(C)C1=CC2=CC=CN=C2C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237076	0	49	-1.0	-59.77	384.97	6.26	-53.51
CC(C)(C)C1=CC2=CC=CN=C2C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237076	1	49	-1.0	-59.81	384.91	6.23	-53.58
CSCC[C@H](NC(=O)NC1=CC(C(C)(C)C)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020237077	0	52	-1.0	-51.98	427.68	6.23	-45.75
CSCC[C@H](NC(=O)NC1=CC(C(C)(C)C)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020237077	1	52	-1.0	-51.97	427.63	6.22	-45.75
CC(C)(C)C1=CC2=CC=CN=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237078	0	49	-1.0	-46.90	386.36	6.30	-40.60
CC(C)(C)C1=CC2=CC=CN=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237078	1	49	-1.0	-46.85	386.28	6.28	-40.57
CC(C)(C)C1=CC2=CC=CN=C2C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020237079	0	55	-1.0	-54.26	407.97	8.17	-46.09
CC(C)(C)C1=CC2=CC=CN=C2C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020237079	1	55	-1.0	-54.29	407.92	8.16	-46.13
NC(=O)C1=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2N1	REAL300020237080	0	43	-1.0	-55.83	371.24	1.56	-54.27
NC(=O)C1=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2N1	REAL300020237080	1	43	-1.0	-55.82	371.18	1.54	-54.28
NC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2N1	REAL300020237081	0	43	-1.0	-48.32	352.56	1.01	-47.31
NC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2N1	REAL300020237081	1	43	-1.0	-48.28	352.62	1.02	-47.26
NC(=O)C1=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2N1	REAL300020237082	0	40	-1.0	-64.02	337.16	0.09	-63.93
NC(=O)C1=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2N1	REAL300020237082	1	40	-1.0	-63.99	337.22	0.11	-63.88
CSCC[C@H](NC(=O)NC1=CC=C2NC(C(N)=O)=CC2=C1)C1=N[N-]N=N1	REAL300020237083	0	43	-1.0	-51.24	380.68	0.06	-51.18
CSCC[C@H](NC(=O)NC1=CC=C2NC(C(N)=O)=CC2=C1)C1=NN=N[N-]1	REAL300020237083	1	43	-1.0	-51.26	380.74	0.08	-51.18
NC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020237084	0	40	-1.0	-48.32	338.26	0.19	-48.13
NC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020237084	1	40	-1.0	-48.34	338.34	0.19	-48.15
NC(=O)C1=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1	REAL300020237085	0	46	-1.0	-48.87	364.81	1.17	-47.70
NC(=O)C1=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1	REAL300020237085	1	46	-1.0	-48.89	364.86	1.18	-47.71
CSCCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237086	0	45	-1.0	-41.95	386.35	7.73	-34.22
CSCCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237086	1	45	-1.0	-41.93	386.29	7.70	-34.23
CSCCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237087	0	45	-1.0	-42.66	366.76	7.11	-35.55
CSCCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237087	1	45	-1.0	-42.69	366.82	7.12	-35.57
CSCCC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237088	0	42	-1.0	-53.30	351.26	6.23	-47.07
CSCCC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237088	1	42	-1.0	-53.30	351.32	6.26	-47.04
CSCCC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020237089	0	45	-1.0	-46.96	395.47	6.26	-40.70
CSCCC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020237089	1	45	-1.0	-46.98	395.52	6.27	-40.71
CSCCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237090	0	42	-1.0	-43.24	352.60	6.30	-36.94
CSCCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237090	1	42	-1.0	-43.22	352.67	6.31	-36.91
CSCCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237091	0	48	-1.0	-39.51	376.55	7.25	-32.26
CSCCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237091	1	48	-1.0	-39.51	376.61	7.27	-32.24
COC1=CC(C)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020237092	0	45	-1.0	-42.45	371.21	5.72	-36.73
COC1=CC(C)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020237092	1	45	-1.0	-42.49	371.15	5.70	-36.79
COC1=CC(C)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020237093	0	45	-1.0	-44.06	350.01	5.15	-38.91
COC1=CC(C)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020237093	1	45	-1.0	-44.06	350.07	5.16	-38.90
COC1=CC(C)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020237094	0	42	-1.0	-53.76	335.87	4.27	-49.49
COC1=CC(C)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020237094	1	42	-1.0	-53.77	335.93	4.30	-49.47
COC1=CC(C)=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020237095	0	45	-1.0	-46.93	379.38	4.23	-42.70
COC1=CC(C)=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020237095	1	45	-1.0	-46.98	379.44	4.25	-42.73
COC1=CC(C)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020237096	0	42	-1.0	-44.21	337.19	4.31	-39.90
COC1=CC(C)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020237096	1	42	-1.0	-44.19	337.26	4.33	-39.86
COC1=CC(C)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020237097	0	48	-1.0	-50.62	359.68	6.18	-44.44
COC1=CC(C)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020237097	1	48	-1.0	-50.66	359.73	6.18	-44.48
CC(C)COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NC=N1	REAL300020237098	0	46	-1.0	-43.53	389.97	5.19	-38.34
CC(C)COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NC=N1	REAL300020237098	1	46	-1.0	-43.48	389.91	5.16	-38.32
CC(C)COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC=N1	REAL300020237099	0	46	-1.0	-43.71	367.97	4.11	-39.60
CC(C)COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC=N1	REAL300020237099	1	46	-1.0	-43.66	367.91	4.10	-39.56
CC(C)COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NC=N1	REAL300020237100	0	43	-1.0	-54.82	355.45	3.78	-51.04
CC(C)COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NC=N1	REAL300020237100	1	43	-1.0	-54.80	355.39	3.75	-51.05
CSCC[C@H](NC(=O)NC1=CC(OCC(C)C)=NC=N1)C1=NN=N[N-]1	REAL300020237101	0	46	-1.0	-47.99	398.97	3.74	-44.25
CSCC[C@H](NC(=O)NC1=CC(OCC(C)C)=NC=N1)C1=N[N-]N=N1	REAL300020237101	1	46	-1.0	-48.01	398.91	3.73	-44.28
CC(C)COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NC=N1	REAL300020237102	0	43	-1.0	-45.46	356.82	3.85	-41.61
CC(C)COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NC=N1	REAL300020237102	1	43	-1.0	-45.41	356.75	3.83	-41.58
CC(C)COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=N1	REAL300020237103	0	49	-1.0	-50.50	378.94	5.58	-44.92
CC(C)COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=N1	REAL300020237103	1	49	-1.0	-50.54	378.89	5.57	-44.97
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237104	0	35	-2.0	-84.64	337.70	2.94	-81.70
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237104	1	35	-2.0	-84.65	337.64	2.93	-81.72
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020237105	0	32	-2.0	-106.34	321.86	1.81	-104.53
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020237105	1	32	-2.0	-106.32	321.91	1.84	-104.48
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237106	0	32	-2.0	-85.94	322.67	1.88	-84.06
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237106	1	32	-2.0	-85.95	322.60	1.86	-84.09
CC(C)COC1=CN=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020237107	0	46	-1.0	-46.92	389.60	3.83	-43.09
CC(C)COC1=CN=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020237107	1	46	-1.0	-46.86	389.54	3.80	-43.06
CC(C)COC1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020237108	0	46	-1.0	-41.85	367.88	2.37	-39.48
CC(C)COC1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020237108	1	46	-1.0	-41.82	367.82	2.36	-39.46
CC(C)COC1=CN=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020237109	0	43	-1.0	-56.66	355.32	2.40	-54.26
CC(C)COC1=CN=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020237109	1	43	-1.0	-56.63	355.26	2.38	-54.25
CSCC[C@H](NC(=O)NC1=CN=CC(OCC(C)C)=N1)C1=NN=N[N-]1	REAL300020237110	0	46	-1.0	-49.60	398.84	2.36	-47.24
CSCC[C@H](NC(=O)NC1=CN=CC(OCC(C)C)=N1)C1=N[N-]N=N1	REAL300020237110	1	46	-1.0	-49.59	398.78	2.35	-47.24
CC(C)COC1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020237111	0	43	-1.0	-46.69	356.69	2.46	-44.23
CC(C)COC1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020237111	1	43	-1.0	-46.72	356.62	2.44	-44.28
CC(C)COC1=CN=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020237112	0	49	-1.0	-47.08	373.85	3.31	-43.77
CC(C)COC1=CN=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020237112	1	49	-1.0	-47.08	373.81	3.31	-43.77
CCCSC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020237113	0	44	-1.0	-45.48	385.80	7.30	-38.18
CCCSC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020237113	1	44	-1.0	-45.51	385.74	7.28	-38.23
CCCSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020237114	0	44	-1.0	-42.29	363.94	6.21	-36.08
CCCSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020237114	1	44	-1.0	-42.31	363.89	6.20	-36.11
CCCSC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020237115	0	41	-1.0	-59.72	351.27	5.92	-53.80
CCCSC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020237115	1	41	-1.0	-59.77	351.21	5.91	-53.86
CCCSC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020237116	0	44	-1.0	-51.89	394.80	5.88	-46.01
CCCSC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020237116	1	44	-1.0	-51.88	394.75	5.86	-46.02
CCCSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020237117	0	41	-1.0	-48.51	352.65	5.98	-42.53
CCCSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020237117	1	41	-1.0	-48.53	352.57	5.97	-42.56
CCCSC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020237118	0	47	-1.0	-52.76	372.73	7.74	-45.02
CCCSC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020237118	1	47	-1.0	-52.77	372.69	7.74	-45.03
CN(C)C1=CN=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020237119	0	42	-1.0	-44.69	349.46	3.43	-41.26
CN(C)C1=CN=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020237119	1	42	-1.0	-44.69	349.40	3.40	-41.29
CN(C)C1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237120	0	42	-1.0	-46.90	330.76	2.85	-44.05
CN(C)C1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237120	1	42	-1.0	-46.93	330.70	2.83	-44.10
CN(C)C1=CN=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237121	0	39	-1.0	-54.27	315.17	2.01	-52.26
CN(C)C1=CN=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237121	1	39	-1.0	-54.25	315.23	2.03	-52.22
CSCC[C@H](NC(=O)NC1=CN=CC(N(C)C)=C1)C1=N[N-]N=N1	REAL300020237122	0	42	-1.0	-47.00	358.06	1.92	-45.08
CSCC[C@H](NC(=O)NC1=CN=CC(N(C)C)=C1)C1=NN=N[N-]1	REAL300020237122	1	42	-1.0	-47.03	358.12	1.94	-45.09
CN(C)C1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237123	0	39	-1.0	-44.12	316.30	2.05	-42.07
CN(C)C1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237123	1	39	-1.0	-44.09	316.22	2.04	-42.05
CN(C)C1=CN=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020237124	0	45	-1.0	-43.92	343.42	3.06	-40.86
CN(C)C1=CN=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020237124	1	45	-1.0	-43.88	343.37	3.08	-40.80
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237125	0	39	-2.0	-103.62	353.02	4.83	-98.79
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237125	1	39	-2.0	-103.61	353.08	4.84	-98.77
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020237126	0	36	-2.0	-128.36	337.18	3.72	-124.64
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020237126	1	36	-2.0	-128.33	337.24	3.73	-124.60
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237127	0	36	-2.0	-105.16	337.92	3.79	-101.37
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237127	1	36	-2.0	-105.14	338.00	3.80	-101.34
COCCOCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020237128	0	49	-1.0	-56.19	413.80	4.69	-51.50
COCCOCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020237128	1	49	-1.0	-56.22	413.86	4.72	-51.50
COCCOCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020237129	0	49	-1.0	-46.65	394.81	4.24	-42.41
COCCOCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020237129	1	49	-1.0	-46.66	394.87	4.25	-42.41
COCCOCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020237130	0	46	-1.0	-55.39	379.30	3.32	-52.07
COCCOCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020237130	1	46	-1.0	-55.38	379.36	3.34	-52.04
COCCOCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020237131	0	49	-1.0	-51.31	422.83	3.29	-48.02
COCCOCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020237131	1	49	-1.0	-51.32	422.89	3.30	-48.02
COCCOCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020237132	0	46	-1.0	-46.47	380.42	3.41	-43.06
COCCOCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020237132	1	46	-1.0	-46.50	380.49	3.42	-43.08
COCCOCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020237133	0	52	-1.0	-55.37	402.59	5.16	-50.21
COCCOCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020237133	1	52	-1.0	-55.40	402.64	5.17	-50.23
COC(=O)C1=CN=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020237134	0	40	-1.0	-46.55	367.81	4.26	-42.29
COC(=O)C1=CN=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020237134	1	40	-1.0	-46.54	367.75	4.23	-42.31
COC(=O)C1=CN=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237135	0	40	-1.0	-44.62	347.17	3.74	-40.88
COC(=O)C1=CN=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237135	1	40	-1.0	-44.62	347.11	3.72	-40.90
COC(=O)C1=CN=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237136	0	37	-1.0	-56.45	333.48	2.85	-53.60
COC(=O)C1=CN=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237136	1	37	-1.0	-56.48	333.42	2.84	-53.64
COC(=O)C1=CN=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020237137	0	40	-1.0	-47.21	376.16	2.78	-44.43
COC(=O)C1=CN=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020237137	1	40	-1.0	-47.22	376.10	2.76	-44.46
COC(=O)C1=CN=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237138	0	37	-1.0	-45.13	334.88	2.89	-42.24
COC(=O)C1=CN=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237138	1	37	-1.0	-45.12	334.80	2.87	-42.25
COC(=O)C1=CN=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020237139	0	43	-1.0	-50.46	356.20	4.61	-45.85
COC(=O)C1=CN=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020237139	1	43	-1.0	-50.45	356.14	4.60	-45.85
CC1(C)CCC2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2O1	REAL300020237140	0	49	-1.0	-49.74	391.79	6.79	-42.95
CC1(C)CCC2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2O1	REAL300020237140	1	49	-1.0	-49.69	391.74	6.77	-42.92
CC1(C)CCC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2O1	REAL300020237141	0	49	-1.0	-44.31	372.75	6.27	-38.04
CC1(C)CCC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2O1	REAL300020237141	1	49	-1.0	-44.31	372.81	6.29	-38.02
CC1(C)CCC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2O1	REAL300020237142	0	46	-1.0	-56.39	358.21	5.35	-51.04
CC1(C)CCC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2O1	REAL300020237142	1	46	-1.0	-56.41	358.27	5.36	-51.05
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OC(C)(C)CC2)C1=N[N-]N=N1	REAL300020237143	0	49	-1.0	-48.76	400.97	5.31	-43.45
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OC(C)(C)CC2)C1=NN=N[N-]1	REAL300020237143	1	49	-1.0	-48.74	401.03	5.33	-43.41
CC1(C)CCC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020237144	0	46	-1.0	-44.77	359.57	5.40	-39.37
CC1(C)CCC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020237144	1	46	-1.0	-44.77	359.64	5.42	-39.35
CC1(C)CCC2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2O1	REAL300020237145	0	52	-1.0	-44.67	380.74	6.41	-38.26
CC1(C)CCC2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2O1	REAL300020237145	1	52	-1.0	-44.73	380.75	6.43	-38.30
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C12	REAL300020237146	0	47	-1.0	-45.21	375.65	7.19	-38.02
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C12	REAL300020237146	1	47	-1.0	-45.23	375.71	7.21	-38.02
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020237147	0	44	-1.0	-53.98	361.63	6.33	-47.65
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020237147	1	44	-1.0	-54.02	361.69	6.34	-47.68
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020237148	0	44	-1.0	-45.23	363.12	6.37	-38.86
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020237148	1	44	-1.0	-45.23	363.20	6.38	-38.85
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020237149	0	50	-1.0	-51.05	385.32	8.10	-42.95
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020237149	1	50	-1.0	-51.04	385.37	8.11	-42.93
CC(C)OC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Br	REAL300020237150	0	42	-1.0	-51.48	358.46	4.89	-46.59
CC(C)OC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Br	REAL300020237150	1	42	-1.0	-51.55	358.52	4.90	-46.65
CC(C)OC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020237151	0	42	-1.0	-42.86	359.78	4.94	-37.92
CC(C)OC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020237151	1	42	-1.0	-42.87	359.85	4.95	-37.92
COC1=CN=C(F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020237152	0	38	-1.0	-42.52	333.29	2.31	-40.21
COC1=CN=C(F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020237152	1	38	-1.0	-42.48	333.23	2.28	-40.20
COC1=CN=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237153	0	38	-1.0	-43.27	312.71	1.79	-41.48
COC1=CN=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237153	1	38	-1.0	-43.31	312.65	1.78	-41.53
COC1=CN=C(F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237154	0	35	-1.0	-52.25	298.17	0.89	-51.36
COC1=CN=C(F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237154	1	35	-1.0	-52.25	298.11	0.87	-51.38
COC1=CN=C(F)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020237155	0	38	-1.0	-46.26	341.69	0.84	-45.42
COC1=CN=C(F)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020237155	1	38	-1.0	-46.25	341.63	0.82	-45.43
COC1=CN=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237156	0	35	-1.0	-43.59	300.31	0.93	-42.66
COC1=CN=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237156	1	35	-1.0	-43.54	300.24	0.92	-42.62
COC1=CN=C(F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020237157	0	41	-1.0	-48.86	321.62	2.67	-46.19
COC1=CN=C(F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020237157	1	41	-1.0	-48.85	321.57	2.66	-46.19
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CS1	REAL300020237158	0	35	-1.0	-40.75	311.15	4.59	-36.16
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CS1	REAL300020237158	1	35	-1.0	-40.74	311.10	4.56	-36.18
CSCC[C@H](NC(=O)NC1=C(C)SC=C1)C1=N[N-]N=N1	REAL300020237159	0	35	-1.0	-45.45	319.91	3.14	-42.31
CSCC[C@H](NC(=O)NC1=C(C)SC=C1)C1=NN=N[N-]1	REAL300020237159	1	35	-1.0	-45.47	319.97	3.16	-42.31
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CS1	REAL300020237160	0	38	-1.0	-48.66	300.25	5.08	-43.58
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CS1	REAL300020237160	1	38	-1.0	-48.70	300.31	5.11	-43.59
CC1=CC=C(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020237161	0	45	-1.0	-44.13	392.70	8.72	-35.41
CC1=CC=C(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020237161	1	45	-1.0	-44.15	392.65	8.70	-35.45
CC1=CC=C(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020237162	0	45	-1.0	-42.86	373.72	8.19	-34.67
CC1=CC=C(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020237162	1	45	-1.0	-42.85	373.78	8.20	-34.65
CC1=CC=C(C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020237163	0	42	-1.0	-54.73	358.46	7.27	-47.46
CC1=CC=C(C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020237163	1	42	-1.0	-54.76	358.52	7.29	-47.47
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=CC=C(C)S1)C1=N[N-]N=N1	REAL300020237164	0	45	-1.0	-47.87	401.95	7.25	-40.62
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=CC=C(C)S1)C1=NN=N[N-]1	REAL300020237164	1	45	-1.0	-47.84	402.00	7.26	-40.58
CC1=CC=C(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020237165	0	42	-1.0	-43.24	358.60	7.27	-35.97
CC1=CC=C(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020237165	1	42	-1.0	-43.22	358.67	7.28	-35.94
CC1=CC=C(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020237166	0	48	-1.0	-50.31	378.24	8.88	-41.43
CC1=CC=C(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020237166	1	48	-1.0	-50.28	378.30	8.90	-41.38
C[NH+]1CCC(N2C=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=N2)CC1	REAL300020237167	0	51	0.0	-77.59	405.83	5.61	-71.98
C[NH+]1CCC(N2C=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=N2)CC1	REAL300020237167	1	51	0.0	-77.59	405.77	5.59	-72.00
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CC1	REAL300020237168	0	51	0.0	-77.60	386.63	5.15	-72.45
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CC1	REAL300020237168	1	51	0.0	-77.56	386.57	5.14	-72.42
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)CC1	REAL300020237169	0	48	0.0	-89.35	371.18	4.23	-85.12
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)CC1	REAL300020237169	1	48	0.0	-89.36	371.12	4.21	-85.15
CSCC[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C1=NN=N[N-]1	REAL300020237170	0	51	0.0	-81.30	414.81	4.20	-77.10
CSCC[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C1=N[N-]N=N1	REAL300020237170	1	51	0.0	-81.33	414.75	4.18	-77.15
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)CC1	REAL300020237171	0	48	0.0	-80.79	372.66	4.28	-76.51
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)CC1	REAL300020237171	1	48	0.0	-80.79	372.59	4.28	-76.51
C[NH+]1CCC(N2C=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)CC1	REAL300020237172	0	54	0.0	-82.57	394.62	6.03	-76.54
C[NH+]1CCC(N2C=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)CC1	REAL300020237172	1	54	0.0	-82.51	394.59	6.02	-76.49
O=C([N-]C1=NC(C2CCCCCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237173	0	49	-2.0	-87.97	400.23	5.92	-82.05
O=C([N-]C1=NC(C2CCCCCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237173	1	49	-2.0	-87.96	400.29	5.94	-82.02
O=C(NC1=NC(C2CCCCCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237173	1	50	-1.0	-39.66	403.48	7.12	-32.54
O=C(NC1=NC(C2CCCCCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237173	1	50	-1.0	-39.69	403.54	7.14	-32.55
O=C(NC1=NC(C2CCCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237174	0	50	-1.0	-41.15	384.26	6.65	-34.50
O=C(NC1=NC(C2CCCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237174	1	50	-1.0	-41.13	384.32	6.67	-34.46
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237174	1	49	-2.0	-90.44	382.63	5.79	-84.65
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237174	1	49	-2.0	-90.47	382.69	5.80	-84.67
O=C(NC1=NC(C2CCCCCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020237175	0	47	-1.0	-48.53	366.80	5.67	-42.86
O=C(NC1=NC(C2CCCCCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020237175	1	47	-1.0	-48.53	366.86	5.69	-42.84
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020237175	1	46	-2.0	-110.94	365.40	4.63	-106.31
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020237175	1	46	-2.0	-110.93	365.46	4.65	-106.28
CSCC[C@H](NC(=O)NC1=NC(C2CCCCCC2)=CS1)C1=N[N-]N=N1	REAL300020237176	0	50	-1.0	-42.69	412.47	5.71	-36.98
CSCC[C@H](NC(=O)NC1=NC(C2CCCCCC2)=CS1)C1=NN=N[N-]1	REAL300020237176	1	50	-1.0	-42.69	412.52	5.73	-36.96
CSCC[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=N[N-]N=N1	REAL300020237176	1	49	-2.0	-101.57	408.61	4.49	-97.08
O=C(NC1=NC(C2CCCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237177	0	47	-1.0	-39.99	369.73	5.77	-34.22
O=C(NC1=NC(C2CCCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237177	1	47	-1.0	-39.98	369.81	5.78	-34.20
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237177	1	46	-2.0	-90.29	368.23	4.75	-85.54
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237177	1	46	-2.0	-90.26	368.30	4.77	-85.49
O=C(NC1=NC(C2CCCCCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237178	0	53	-1.0	-45.10	390.69	7.47	-37.63
O=C(NC1=NC(C2CCCCCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237178	1	53	-1.0	-45.11	390.72	7.47	-37.64
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237178	1	52	-2.0	-107.78	389.83	6.73	-101.05
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237178	1	52	-2.0	-107.87	389.87	6.74	-101.13
CC(C)(C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1)C1=CC=CC=C1	REAL300020237179	0	50	-1.0	-42.58	401.86	7.80	-34.78
CC(C)(C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1)C1=CC=CC=C1	REAL300020237179	1	50	-1.0	-42.57	401.81	7.78	-34.79
CC(C)(C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1)C1=CC=CC=C1	REAL300020237179	1	49	-2.0	-90.79	400.80	6.95	-83.84
CC(C)(C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1)C1=CC=CC=C1	REAL300020237179	1	49	-2.0	-90.79	400.74	6.94	-83.85
CC(C)(C1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1)C1=CC=CC=C1	REAL300020237180	0	47	-1.0	-49.90	386.43	6.87	-43.03
CC(C)(C1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1)C1=CC=CC=C1	REAL300020237180	1	47	-1.0	-49.89	386.38	6.84	-43.05
CC(C)(C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1)C1=CC=CC=C1	REAL300020237180	1	46	-2.0	-111.38	384.94	5.82	-105.56
CC(C)(C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1)C1=CC=CC=C1	REAL300020237180	1	46	-2.0	-111.35	385.00	5.83	-105.52
CC(C)(C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1)C1=CC=CC=C1	REAL300020237181	0	47	-1.0	-41.21	387.91	6.91	-34.30
CC(C)(C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1)C1=CC=CC=C1	REAL300020237181	1	47	-1.0	-41.18	387.84	6.90	-34.28
CC(C)(C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1)C1=CC=CC=C1	REAL300020237181	1	46	-2.0	-91.32	385.82	5.87	-85.45
CC(C)(C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1)C1=CC=CC=C1	REAL300020237181	1	46	-2.0	-91.34	385.74	5.86	-85.48
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NC(C)=N1	REAL300020237182	0	39	-1.0	-59.44	337.70	4.85	-54.59
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NC(C)=N1	REAL300020237182	1	39	-1.0	-59.41	337.64	4.82	-54.59
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC(C)=N1	REAL300020237183	0	39	-1.0	-42.94	315.64	3.78	-39.16
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC(C)=N1	REAL300020237183	1	39	-1.0	-42.99	315.69	3.80	-39.19
CSCC[C@H](NC(=O)NC1=CC(C)=NC(C)=N1)C1=N[N-]N=N1	REAL300020237184	0	39	-1.0	-51.86	346.65	3.41	-48.45
CSCC[C@H](NC(=O)NC1=CC(C)=NC(C)=N1)C1=NN=N[N-]1	REAL300020237184	1	39	-1.0	-51.81	346.70	3.42	-48.39
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NC(C)=N1	REAL300020237185	0	42	-1.0	-45.45	321.72	4.72	-40.73
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NC(C)=N1	REAL300020237185	1	42	-1.0	-45.43	321.76	4.73	-40.70
CC1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(N)=O	REAL300020237186	0	41	-1.0	-50.92	349.04	0.44	-50.48
CC1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(N)=O	REAL300020237186	1	41	-1.0	-50.92	348.98	0.42	-50.50
CC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(N)=O	REAL300020237187	0	41	-1.0	-43.93	330.07	-0.05	-43.98
CC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(N)=O	REAL300020237187	1	41	-1.0	-43.92	330.13	-0.04	-43.96
CC1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020237188	0	38	-1.0	-50.49	314.31	-0.93	-51.42
CC1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(N)=O	REAL300020237188	1	38	-1.0	-50.54	314.37	-0.92	-51.46
CSCC[C@H](NC(=O)NC1=CN=C(C)C(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020237189	0	41	-1.0	-44.36	358.00	-0.98	-45.34
CSCC[C@H](NC(=O)NC1=CN=C(C)C(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020237189	1	41	-1.0	-44.34	358.06	-0.97	-45.31
CC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(N)=O	REAL300020237190	0	38	-1.0	-43.77	315.83	-0.90	-44.67
CC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(N)=O	REAL300020237190	1	38	-1.0	-43.76	315.91	-0.88	-44.64
CC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(N)=O	REAL300020237191	0	44	-1.0	-40.17	339.26	-0.02	-40.19
CC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(N)=O	REAL300020237191	1	44	-1.0	-40.19	339.29	-0.02	-40.21
O=C([N-]C1=NC(C2CCCCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237192	0	46	-2.0	-87.99	387.07	5.48	-82.51
O=C([N-]C1=NC(C2CCCCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237192	1	46	-2.0	-87.99	387.12	5.50	-82.49
O=C(NC1=NC(C2CCCCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237192	1	47	-1.0	-39.73	390.32	6.68	-33.05
O=C(NC1=NC(C2CCCCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237192	1	47	-1.0	-39.80	390.38	6.70	-33.10
O=C(NC1=NC(C2CCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237193	0	47	-1.0	-41.27	371.10	6.21	-35.06
O=C(NC1=NC(C2CCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237193	1	47	-1.0	-41.33	371.16	6.23	-35.10
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237193	1	46	-2.0	-90.26	370.08	5.38	-84.88
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237193	1	46	-2.0	-90.27	370.14	5.39	-84.88
O=C(NC1=NC(C2CCCCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020237194	0	44	-1.0	-48.48	355.66	5.30	-43.18
O=C(NC1=NC(C2CCCCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020237194	1	44	-1.0	-48.52	355.73	5.32	-43.20
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020237194	1	43	-2.0	-110.48	354.27	4.26	-106.22
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020237194	1	43	-2.0	-110.43	354.33	4.28	-106.15
CSCC[C@H](NC(=O)NC1=NC(C2CCCCC2)=CS1)C1=N[N-]N=N1	REAL300020237195	0	47	-1.0	-42.77	399.31	5.27	-37.50
CSCC[C@H](NC(=O)NC1=NC(C2CCCCC2)=CS1)C1=NN=N[N-]1	REAL300020237195	1	47	-1.0	-42.77	399.37	5.29	-37.48
CSCC[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1=N[N-]N=N1	REAL300020237195	1	46	-2.0	-101.28	396.05	4.07	-97.21
O=C(NC1=NC(C2CCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237196	0	44	-1.0	-39.95	357.16	5.35	-34.60
O=C(NC1=NC(C2CCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237196	1	44	-1.0	-39.99	357.24	5.36	-34.63
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237196	1	43	-2.0	-90.24	355.07	4.31	-85.93
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237196	1	43	-2.0	-90.23	355.14	4.33	-85.90
O=C(NC1=NC(C2CCCCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237197	0	50	-1.0	-45.06	379.57	7.09	-37.97
O=C(NC1=NC(C2CCCCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237197	1	50	-1.0	-45.09	379.58	7.10	-37.99
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237197	1	49	-2.0	-107.47	378.70	6.35	-101.12
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237197	1	49	-2.0	-107.50	378.74	6.38	-101.12
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020237198	0	39	-1.0	-42.32	338.25	4.24	-38.08
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020237198	1	39	-1.0	-42.33	338.20	4.21	-38.12
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020237199	0	39	-1.0	-42.30	318.53	3.70	-38.60
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020237199	1	39	-1.0	-42.33	318.58	3.72	-38.61
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020237200	0	36	-1.0	-50.25	303.10	2.77	-47.48
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020237200	1	36	-1.0	-50.34	303.16	2.79	-47.55
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(F)=C1	REAL300020237201	0	39	-1.0	-44.51	346.62	2.74	-41.77
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(F)=C1	REAL300020237201	1	39	-1.0	-44.56	346.67	2.75	-41.81
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020237202	0	36	-1.0	-41.89	305.30	2.82	-39.07
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020237202	1	36	-1.0	-41.94	305.37	2.84	-39.10
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020237203	0	42	-1.0	-42.70	330.97	3.87	-38.83
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020237203	1	42	-1.0	-42.75	331.01	3.87	-38.88
N#CC1=CC(F)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020237204	0	36	-1.0	-45.02	330.11	5.29	-39.73
N#CC1=CC(F)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020237204	1	36	-1.0	-45.01	330.06	5.27	-39.74
N#CC1=CC(F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237205	0	36	-1.0	-44.02	311.46	4.73	-39.29
N#CC1=CC(F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237205	1	36	-1.0	-44.01	311.51	4.74	-39.27
N#CC1=CC(F)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237206	0	33	-1.0	-53.21	295.77	3.85	-49.36
N#CC1=CC(F)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237206	1	33	-1.0	-53.26	295.83	3.87	-49.39
CSCC[C@H](NC(=O)NC1=CC(F)=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020237207	0	36	-1.0	-48.35	339.55	3.79	-44.56
CSCC[C@H](NC(=O)NC1=CC(F)=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020237207	1	36	-1.0	-48.35	339.61	3.80	-44.55
N#CC1=CC(F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237208	0	33	-1.0	-44.56	297.17	3.91	-40.65
N#CC1=CC(F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237208	1	33	-1.0	-44.56	297.24	3.91	-40.65
N#CC1=CC(F)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020237209	0	39	-1.0	-36.89	323.75	4.89	-32.00
N#CC1=CC(F)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020237209	1	39	-1.0	-36.89	323.79	4.90	-31.99
COC(=O)C1=CC2=C(C=C1NC(=O)N1CCCC1C1=N[N-]N=N1)OCCCO2	REAL300020237210	0	47	-1.0	-57.50	380.66	4.32	-53.18
COC(=O)C1=CC2=C(C=C1NC(=O)N1CCCC1C1=NN=N[N-]1)OCCCO2	REAL300020237210	1	47	-1.0	-57.53	380.72	4.34	-53.19
COC(=O)C1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)C1)OCCCO2	REAL300020237211	0	47	-1.0	-44.86	384.09	4.47	-40.39
COC(=O)C1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)C1)OCCCO2	REAL300020237211	1	47	-1.0	-44.86	384.16	4.47	-40.39
CC1=CC(NC(=O)OC(C)(C)C)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237212	0	52	-1.0	-56.45	411.56	4.31	-52.14
CC1=CC(NC(=O)OC(C)(C)C)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237212	1	52	-1.0	-56.49	411.62	4.33	-52.16
CC1=CC(NC(=O)OC(C)(C)C)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237213	0	52	-1.0	-45.20	413.10	4.37	-40.83
CC1=CC(NC(=O)OC(C)(C)C)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237213	1	52	-1.0	-45.20	413.18	4.38	-40.82
O=C(NC1=CC=C(C(=O)C(F)(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237214	0	40	-1.0	-48.91	361.30	5.65	-43.26
O=C(NC1=CC=C(C(=O)C(F)(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237214	1	40	-1.0	-48.98	361.35	5.67	-43.31
O=C(NC1=CC=C(C(=O)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237215	0	40	-1.0	-43.97	342.58	5.02	-38.95
O=C(NC1=CC=C(C(=O)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237215	1	40	-1.0	-43.94	342.63	5.03	-38.91
O=C(NC1=CC=C(C(=O)C(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237216	0	37	-1.0	-51.37	327.39	4.18	-47.19
O=C(NC1=CC=C(C(=O)C(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237216	1	37	-1.0	-51.37	327.44	4.21	-47.16
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020237217	0	40	-1.0	-46.10	370.84	4.15	-41.95
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020237217	1	40	-1.0	-46.11	370.90	4.17	-41.94
O=C(NC1=CC=C(C(=O)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237218	0	37	-1.0	-43.18	329.22	4.18	-39.00
O=C(NC1=CC=C(C(=O)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237218	1	37	-1.0	-43.23	329.29	4.20	-39.03
O=C(NC1=CC=C(C(=O)C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237219	0	43	-1.0	-46.51	350.63	6.04	-40.47
O=C(NC1=CC=C(C(=O)C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237219	1	43	-1.0	-46.52	350.68	6.05	-40.47
CC1=CC(F)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020237220	0	38	-1.0	-46.29	344.97	6.18	-40.11
CC1=CC(F)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020237220	1	38	-1.0	-46.24	344.92	6.16	-40.08
CC1=CC(F)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020237221	0	38	-1.0	-44.09	324.52	5.41	-38.68
CC1=CC(F)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020237221	1	38	-1.0	-44.13	324.57	5.43	-38.70
CC1=CC(F)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020237222	0	35	-1.0	-54.73	316.67	4.89	-49.84
CC1=CC(F)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020237222	1	35	-1.0	-54.76	316.73	4.92	-49.84
CSCC[C@H](NC(=O)NC1=C(F)C=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300020237223	0	38	-1.0	-48.38	360.20	4.86	-43.52
CSCC[C@H](NC(=O)NC1=C(F)C=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300020237223	1	38	-1.0	-48.38	360.26	4.88	-43.50
CC1=CC(F)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020237224	0	35	-1.0	-45.39	318.07	4.95	-40.44
CC1=CC(F)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020237224	1	35	-1.0	-45.44	318.14	4.96	-40.48
CC1=CC(F)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020237225	0	41	-1.0	-50.80	333.74	6.43	-44.37
CC1=CC(F)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020237225	1	41	-1.0	-50.78	333.81	6.44	-44.34
O=C(NC1=CC=C2OC=CC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237226	0	38	-1.0	-52.61	330.27	5.17	-47.44
O=C(NC1=CC=C2OC=CC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237226	1	38	-1.0	-52.57	330.21	5.14	-47.43
O=C(NC1=CC=C2OC=CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237227	0	38	-1.0	-45.31	311.45	4.61	-40.70
O=C(NC1=CC=C2OC=CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237227	1	38	-1.0	-45.33	311.51	4.63	-40.70
CSCC[C@H](NC(=O)NC1=CC=C2OC=CC2=C1)C1=N[N-]N=N1	REAL300020237228	0	38	-1.0	-52.68	339.71	3.66	-49.02
CSCC[C@H](NC(=O)NC1=CC=C2OC=CC2=C1)C1=NN=N[N-]1	REAL300020237228	1	38	-1.0	-52.66	339.77	3.67	-48.99
O=C(NC1=CC=C2OC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237229	0	41	-1.0	-43.59	323.98	4.78	-38.81
O=C(NC1=CC=C2OC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237229	1	41	-1.0	-43.60	323.99	4.80	-38.80
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C	REAL300020237230	0	41	-1.0	-45.61	357.47	4.05	-41.56
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C	REAL300020237230	1	41	-1.0	-45.63	357.41	4.03	-41.60
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C	REAL300020237231	0	41	-1.0	-47.55	338.31	3.58	-43.97
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C	REAL300020237231	1	41	-1.0	-47.58	338.25	3.56	-44.02
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C	REAL300020237232	0	38	-1.0	-58.04	322.84	2.67	-55.37
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C	REAL300020237232	1	38	-1.0	-58.04	322.78	2.65	-55.39
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NN1C	REAL300020237233	0	41	-1.0	-50.85	366.45	2.63	-48.22
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NN1C	REAL300020237233	1	41	-1.0	-50.82	366.39	2.61	-48.21
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C	REAL300020237234	0	38	-1.0	-47.30	324.31	2.71	-44.59
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C	REAL300020237234	1	38	-1.0	-47.28	324.24	2.70	-44.58
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020237235	0	44	-1.0	-54.97	346.19	4.46	-50.51
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020237235	1	44	-1.0	-55.00	346.15	4.45	-50.55
NS(=O)(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020237236	0	40	-1.0	-54.38	362.92	-0.25	-54.63
NS(=O)(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020237236	1	40	-1.0	-54.40	362.98	-0.22	-54.62
NS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020237237	0	40	-1.0	-47.27	343.95	-0.72	-47.99
NS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020237237	1	40	-1.0	-47.26	344.01	-0.71	-47.97
NS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020237238	0	37	-1.0	-68.31	328.17	-1.58	-69.89
NS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020237238	1	37	-1.0	-68.34	328.22	-1.57	-69.91
CSCC[C@H](NC(=O)NC1=CC=C(F)C(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020237239	0	40	-1.0	-60.91	371.95	-1.65	-62.56
CSCC[C@H](NC(=O)NC1=CC=C(F)C(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020237239	1	40	-1.0	-60.90	372.00	-1.64	-62.54
NS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020237240	0	37	-1.0	-53.62	329.86	-1.57	-55.19
NS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020237240	1	37	-1.0	-53.62	329.93	-1.55	-55.17
NS(=O)(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020237241	0	43	-1.0	-45.52	356.27	-0.51	-46.03
NS(=O)(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020237241	1	43	-1.0	-45.53	356.31	-0.51	-46.04
O=C([N-]C1=CC=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237242	0	30	-2.0	-82.94	284.88	1.43	-81.51
O=C([N-]C1=CC=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237242	1	30	-2.0	-82.96	284.82	1.41	-81.55
O=C(NC1=CC=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237242	1	31	-1.0	-42.85	288.13	2.61	-40.24
O=C(NC1=CC=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237242	1	31	-1.0	-42.81	288.08	2.58	-40.23
COCCOC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237243	0	49	-1.0	-52.90	406.60	3.63	-49.27
COCCOC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237243	1	49	-1.0	-52.92	406.66	3.66	-49.26
COCCOC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237244	0	49	-1.0	-44.95	407.98	3.69	-41.26
COCCOC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237244	1	49	-1.0	-44.98	408.06	3.71	-41.27
C=CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237245	0	39	-1.0	-41.75	330.00	6.02	-35.73
C=CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237245	1	39	-1.0	-41.74	329.94	6.00	-35.74
C=CC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020237246	0	39	-1.0	-46.81	340.30	4.61	-42.20
C=CC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020237246	1	39	-1.0	-46.82	340.36	4.62	-42.20
C=CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237247	0	42	-1.0	-50.23	319.64	6.50	-43.73
C=CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237247	1	42	-1.0	-50.21	319.69	6.51	-43.70
CN1N=C(C(F)(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020237248	0	38	-1.0	-43.51	341.47	3.56	-39.95
CN1N=C(C(F)(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020237248	1	38	-1.0	-43.47	341.41	3.54	-39.93
CN1N=C(C(F)(F)F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL300020237249	0	35	-1.0	-51.87	331.14	2.62	-49.25
CN1N=C(C(F)(F)F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL300020237249	1	35	-1.0	-51.89	331.08	2.60	-49.29
CSCC[C@H](NC(=O)NC1=C(Cl)N(C)N=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020237250	0	38	-1.0	-49.71	374.83	2.58	-47.13
CSCC[C@H](NC(=O)NC1=C(Cl)N(C)N=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020237250	1	38	-1.0	-49.69	374.77	2.56	-47.13
CN1N=C(C(F)(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020237251	0	35	-1.0	-44.71	332.71	2.68	-42.03
CN1N=C(C(F)(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020237251	1	35	-1.0	-44.68	332.64	2.66	-42.02
CN1N=C(C(F)(F)F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020237252	0	41	-1.0	-48.49	347.39	3.63	-44.86
CN1N=C(C(F)(F)F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020237252	1	41	-1.0	-48.45	347.36	3.63	-44.82
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237253	0	42	-1.0	-41.77	365.07	7.15	-34.62
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237253	1	42	-1.0	-41.75	365.01	7.13	-34.62
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237254	0	42	-1.0	-43.39	345.81	6.66	-36.73
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237254	1	42	-1.0	-43.40	345.75	6.65	-36.75
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237255	0	39	-1.0	-52.24	330.43	5.77	-46.47
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237255	1	39	-1.0	-52.23	330.37	5.75	-46.48
CSCC[C@H](NC(=O)NC1=CC=NN1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020237256	0	42	-1.0	-44.86	374.05	5.73	-39.13
CSCC[C@H](NC(=O)NC1=CC=NN1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020237256	1	42	-1.0	-44.84	374.00	5.71	-39.13
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237257	0	39	-1.0	-42.82	331.92	5.82	-37.00
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237257	1	39	-1.0	-42.82	331.85	5.81	-37.01
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237258	0	45	-1.0	-48.59	354.44	7.66	-40.93
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237258	1	45	-1.0	-48.62	354.39	7.66	-40.96
CC1=CC=C(OC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C(C)=C1	REAL300020237259	0	52	-1.0	-44.50	409.17	8.33	-36.17
CC1=CC=C(OC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C(C)=C1	REAL300020237259	1	52	-1.0	-44.50	409.22	8.35	-36.15
CC1=CC=C(OC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C(C)=C1	REAL300020237260	0	49	-1.0	-59.71	398.62	7.61	-52.10
CC1=CC=C(OC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C(C)=C1	REAL300020237260	1	49	-1.0	-59.73	398.68	7.63	-52.10
CC1=CC=C(OC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C(C)=C1	REAL300020237261	0	49	-1.0	-49.82	399.64	7.65	-42.17
CC1=CC=C(OC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C(C)=C1	REAL300020237261	1	49	-1.0	-49.88	399.71	7.67	-42.21
C[C@@H]1C[C@H]1C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237262	0	52	-1.0	-45.73	412.52	9.38	-36.35
C[C@@H]1C[C@H]1C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237262	1	52	-1.0	-45.71	412.58	9.40	-36.31
C[C@@H]1C[C@H]1C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237263	0	49	-1.0	-56.80	397.04	8.44	-48.36
C[C@@H]1C[C@H]1C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237263	1	49	-1.0	-56.77	397.10	8.47	-48.30
C[C@@H]1C[C@H]1C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237264	0	49	-1.0	-45.18	398.50	8.50	-36.68
C[C@@H]1C[C@H]1C1=NN(C2=CC=CC=C2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237264	1	49	-1.0	-45.26	398.57	8.51	-36.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=C(F)C(F)=C1F	REAL300020237265	0	35	-1.0	-38.12	326.66	5.08	-33.04
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=C(F)C(F)=C1F	REAL300020237265	1	35	-1.0	-38.10	326.60	5.05	-33.05
O=C(NC1=CC(F)=C(F)C(F)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237266	0	35	-1.0	-38.81	307.15	4.59	-34.22
O=C(NC1=CC(F)=C(F)C(F)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237266	1	35	-1.0	-38.80	307.21	4.61	-34.19
O=C(NC1=CC(F)=C(F)C(F)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020237267	0	32	-1.0	-45.80	293.28	3.67	-42.13
O=C(NC1=CC(F)=C(F)C(F)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020237267	1	32	-1.0	-45.79	293.34	3.70	-42.09
CSCC[C@H](NC(=O)NC1=CC(F)=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL300020237268	0	35	-1.0	-40.24	336.80	3.66	-36.58
CSCC[C@H](NC(=O)NC1=CC(F)=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL300020237268	1	35	-1.0	-40.25	336.86	3.67	-36.58
O=C(NC1=CC(F)=C(F)C(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020237269	0	32	-1.0	-38.84	294.64	3.72	-35.12
O=C(NC1=CC(F)=C(F)C(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020237269	1	32	-1.0	-38.85	294.72	3.73	-35.12
O=C(NC1=CC(F)=C(F)C(F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020237270	0	38	-1.0	-43.49	316.29	5.57	-37.92
O=C(NC1=CC(F)=C(F)C(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020237270	1	38	-1.0	-43.46	316.34	5.58	-37.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C(C(F)F)=C1	REAL300020237271	0	38	-1.0	-46.52	342.34	5.74	-40.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C(C(F)F)=C1	REAL300020237271	1	38	-1.0	-46.54	342.28	5.71	-40.83
O=C(NC1=CC=C(F)C(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237272	0	38	-1.0	-42.37	323.43	5.22	-37.15
O=C(NC1=CC=C(F)C(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237272	1	38	-1.0	-42.38	323.49	5.23	-37.15
O=C(NC1=CC=C(F)C(C(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237273	0	35	-1.0	-52.39	305.44	4.26	-48.13
O=C(NC1=CC=C(F)C(C(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237273	1	35	-1.0	-52.38	305.50	4.28	-48.10
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C(F)F)=C1)C1=N[N-]N=N1	REAL300020237274	0	38	-1.0	-53.09	351.48	4.28	-48.81
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C(F)F)=C1)C1=NN=N[N-]1	REAL300020237274	1	38	-1.0	-53.10	351.54	4.30	-48.80
O=C(NC1=CC=C(F)C(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237275	0	35	-1.0	-41.50	309.32	4.38	-37.12
O=C(NC1=CC=C(F)C(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237275	1	35	-1.0	-41.54	309.40	4.38	-37.16
O=C(NC1=CC=C(F)C(C(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237276	0	41	-1.0	-39.09	335.80	5.42	-33.67
O=C(NC1=CC=C(F)C(C(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237276	1	41	-1.0	-39.07	335.87	5.42	-33.65
COC1=CC=CC(OC(F)(F)F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237277	0	43	-1.0	-45.31	357.86	4.73	-40.58
COC1=CC=CC(OC(F)(F)F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237277	1	43	-1.0	-45.34	357.92	4.74	-40.60
COC1=CC=CC(OC(F)(F)F)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237278	0	40	-1.0	-56.47	347.89	2.72	-53.75
COC1=CC=CC(OC(F)(F)F)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237278	1	40	-1.0	-56.52	347.95	2.74	-53.78
COC1=CC=CC(OC(F)(F)F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237279	0	40	-1.0	-47.18	349.40	2.74	-44.44
COC1=CC=CC(OC(F)(F)F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237279	1	40	-1.0	-47.21	349.48	2.76	-44.45
O=C(NC1=CC=C(F)C(C(=O)C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237280	0	47	-1.0	-47.20	385.49	7.60	-39.60
O=C(NC1=CC=C(F)C(C(=O)C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237280	1	47	-1.0	-47.15	385.54	7.62	-39.53
O=C(NC1=CC=C(F)C(C(=O)C2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237281	0	44	-1.0	-63.59	377.76	6.85	-56.74
O=C(NC1=CC=C(F)C(C(=O)C2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237281	1	44	-1.0	-63.59	377.82	6.87	-56.72
O=C(NC1=CC=C(F)C(C(=O)C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237282	0	44	-1.0	-47.47	371.59	6.76	-40.71
O=C(NC1=CC=C(F)C(C(=O)C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237282	1	44	-1.0	-47.48	371.67	6.78	-40.70
O=C(NC1=NN(CCF)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237283	0	38	-1.0	-43.60	333.25	4.54	-39.06
O=C(NC1=NN(CCF)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237283	1	38	-1.0	-43.56	333.20	4.52	-39.04
O=C(NC1=NN(CCF)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237284	0	38	-1.0	-45.36	314.09	4.07	-41.29
O=C(NC1=NN(CCF)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237284	1	38	-1.0	-45.37	314.03	4.05	-41.32
CSCC[C@H](NC(=O)NC1=NN(CCF)C=C1)C1=NN=N[N-]1	REAL300020237285	0	38	-1.0	-47.30	342.23	3.12	-44.18
CSCC[C@H](NC(=O)NC1=NN(CCF)C=C1)C1=N[N-]N=N1	REAL300020237285	1	38	-1.0	-47.31	342.17	3.10	-44.21
O=C(NC1=NN(CCF)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237286	0	41	-1.0	-48.80	322.02	4.93	-43.87
O=C(NC1=NN(CCF)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237286	1	41	-1.0	-48.77	321.99	4.93	-43.84
NS(=O)(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020237287	0	37	-1.0	-51.45	349.62	-1.28	-52.73
NS(=O)(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020237287	1	37	-1.0	-51.46	349.67	-1.26	-52.72
NS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020237288	0	37	-1.0	-47.75	330.66	-1.75	-49.50
NS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020237288	1	37	-1.0	-47.76	330.72	-1.74	-49.50
NS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL300020237289	0	34	-1.0	-56.76	314.83	-2.69	-59.45
NS(=O)(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL300020237289	1	34	-1.0	-56.77	314.89	-2.67	-59.44
CSCC[C@H](NC(=O)NC1=CSC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020237290	0	37	-1.0	-55.02	358.38	-2.74	-57.76
CSCC[C@H](NC(=O)NC1=CSC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020237290	1	37	-1.0	-55.08	358.44	-2.72	-57.80
NS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020237291	0	34	-1.0	-50.44	316.18	-2.62	-53.06
NS(=O)(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020237291	1	34	-1.0	-50.39	316.25	-2.61	-53.00
NS(=O)(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020237292	0	40	-1.0	-42.73	345.47	-1.57	-44.30
NS(=O)(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020237292	1	40	-1.0	-42.73	345.52	-1.54	-44.27
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C#N	REAL300020237293	0	40	-1.0	-43.76	352.91	4.51	-39.25
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C#N	REAL300020237293	1	40	-1.0	-43.75	352.85	4.48	-39.27
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C#N	REAL300020237294	0	40	-1.0	-44.46	333.89	3.98	-40.48
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C#N	REAL300020237294	1	40	-1.0	-44.52	333.95	4.00	-40.52
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C#N	REAL300020237295	0	37	-1.0	-63.63	318.18	3.11	-60.52
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C#N	REAL300020237295	1	37	-1.0	-63.64	318.24	3.13	-60.51
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C#N	REAL300020237296	0	40	-1.0	-51.44	362.03	3.05	-48.39
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C#N	REAL300020237296	1	40	-1.0	-51.45	362.09	3.06	-48.39
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C#N	REAL300020237297	0	37	-1.0	-44.55	319.88	3.14	-41.41
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C#N	REAL300020237297	1	37	-1.0	-44.53	319.96	3.15	-41.38
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C#N	REAL300020237298	0	43	-1.0	-40.20	346.29	4.17	-36.03
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C#N	REAL300020237298	1	43	-1.0	-40.18	346.33	4.18	-36.00
O=C([N-]C1=NN=C(C2CCCO2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237299	0	40	-2.0	-95.40	360.30	1.96	-93.44
O=C([N-]C1=NN=C(C2CCCO2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237299	1	40	-2.0	-95.40	360.36	1.99	-93.41
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237300	0	40	-2.0	-97.96	343.31	1.84	-96.12
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237300	1	40	-2.0	-98.01	343.37	1.86	-96.15
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020237301	0	37	-2.0	-122.12	327.51	0.75	-121.37
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020237301	1	37	-2.0	-122.13	327.57	0.76	-121.37
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2CCCO2)S1)C1=N[N-]N=N1	REAL300020237302	0	40	-2.0	-110.69	369.29	0.55	-110.14
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2CCCO2)S1)C1=NN=N[N-]1	REAL300020237302	1	40	-2.0	-110.68	369.35	0.56	-110.12
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237303	0	37	-2.0	-99.51	328.26	0.78	-98.73
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237303	1	37	-2.0	-99.56	328.34	0.79	-98.77
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237304	0	43	-2.0	-105.67	355.53	2.54	-103.13
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237304	1	43	-2.0	-105.64	355.59	2.54	-103.10
CCC(F)(F)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237305	0	44	-1.0	-44.01	369.60	7.26	-36.75
CCC(F)(F)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237305	1	44	-1.0	-43.96	369.54	7.24	-36.72
CCC(F)(F)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237306	0	44	-1.0	-44.50	348.86	6.69	-37.81
CCC(F)(F)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237306	1	44	-1.0	-44.54	348.92	6.70	-37.84
CCC(F)(F)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237307	0	41	-1.0	-55.65	334.28	5.80	-49.85
CCC(F)(F)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237307	1	41	-1.0	-55.63	334.34	5.82	-49.81
CCC(F)(F)C1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020237308	0	44	-1.0	-48.99	377.81	5.75	-43.24
CCC(F)(F)C1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020237308	1	44	-1.0	-49.03	377.87	5.77	-43.26
CCC(F)(F)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237309	0	41	-1.0	-45.22	336.60	5.86	-39.36
CCC(F)(F)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237309	1	41	-1.0	-45.24	336.67	5.88	-39.36
CCC(F)(F)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237310	0	47	-1.0	-50.66	354.60	6.96	-43.70
CCC(F)(F)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237310	1	47	-1.0	-50.70	354.64	6.95	-43.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=NC=CN=C12	REAL300020237311	0	39	-1.0	-50.77	337.50	3.44	-47.33
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=NC=CN=C12	REAL300020237311	1	39	-1.0	-50.76	337.45	3.42	-47.34
O=C(NC1=CC=CC2=NC=CN=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237312	0	39	-1.0	-45.29	318.43	2.93	-42.36
O=C(NC1=CC=CC2=NC=CN=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237312	1	39	-1.0	-45.29	318.37	2.92	-42.37
O=C(NC1=CC=CC2=NC=CN=C12)N1CCCC1C1=NN=N[N-]1	REAL300020237313	0	36	-1.0	-55.35	303.22	2.03	-53.32
O=C(NC1=CC=CC2=NC=CN=C12)N1CCCC1C1=N[N-]N=N1	REAL300020237313	1	36	-1.0	-55.34	303.16	2.01	-53.33
CSCC[C@H](NC(=O)NC1=CC=CC2=NC=CN=C12)C1=NN=N[N-]1	REAL300020237314	0	39	-1.0	-48.92	347.56	1.97	-46.95
CSCC[C@H](NC(=O)NC1=CC=CC2=NC=CN=C12)C1=N[N-]N=N1	REAL300020237314	1	39	-1.0	-48.95	347.50	1.95	-47.00
O=C(NC1=CC=CC2=NC=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020237315	0	36	-1.0	-45.53	305.43	2.04	-43.49
O=C(NC1=CC=CC2=NC=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020237315	1	36	-1.0	-45.52	305.36	2.04	-43.48
O=C(NC1=CC=CC2=NC=CN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020237316	0	42	-1.0	-52.19	327.37	3.79	-48.40
O=C(NC1=CC=CC2=NC=CN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020237316	1	42	-1.0	-52.22	327.31	3.79	-48.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2NC(=O)CSC2=C1	REAL300020237317	0	41	-1.0	-45.99	363.27	3.80	-42.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2NC(=O)CSC2=C1	REAL300020237317	1	41	-1.0	-45.99	363.21	3.78	-42.21
O=C(NC1=CC=C2NC(=O)CSC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237318	0	41	-1.0	-44.73	344.25	3.28	-41.45
O=C(NC1=CC=C2NC(=O)CSC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237318	1	41	-1.0	-44.72	344.30	3.29	-41.43
O=C(NC1=CC=C2NC(=O)CSC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237319	0	38	-1.0	-55.62	328.90	2.39	-53.23
O=C(NC1=CC=C2NC(=O)CSC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237319	1	38	-1.0	-55.67	328.95	2.41	-53.26
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)CSC2=C1)C1=N[N-]N=N1	REAL300020237320	0	41	-1.0	-52.36	372.10	2.37	-49.99
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)CSC2=C1)C1=NN=N[N-]1	REAL300020237320	1	41	-1.0	-52.40	372.16	2.38	-50.02
O=C(NC1=CC=C2NC(=O)CSC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237321	0	38	-1.0	-47.95	330.26	2.45	-45.50
O=C(NC1=CC=C2NC(=O)CSC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237321	1	38	-1.0	-47.93	330.33	2.45	-45.48
O=C(NC1=CC=C2NC(=O)CSC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237322	0	44	-1.0	-40.96	356.74	3.48	-37.48
O=C(NC1=CC=C2NC(=O)CSC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237322	1	44	-1.0	-40.95	356.78	3.49	-37.46
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(=O)C1=CC=CC=C1	REAL300020237323	0	50	-1.0	-51.46	404.48	8.24	-43.22
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(=O)C1=CC=CC=C1	REAL300020237323	1	50	-1.0	-51.48	404.53	8.26	-43.22
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(=O)C1=CC=CC=C1	REAL300020237324	0	47	-1.0	-65.66	388.98	7.30	-58.36
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(=O)C1=CC=CC=C1	REAL300020237324	1	47	-1.0	-65.70	389.04	7.32	-58.38
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(=O)C1=CC=CC=C1	REAL300020237325	0	47	-1.0	-54.49	390.35	7.36	-47.13
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(=O)C1=CC=CC=C1	REAL300020237325	1	47	-1.0	-54.51	390.42	7.36	-47.15
N#CC1=CC=C(CN2C=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=N2)C=C1	REAL300020237326	0	46	-1.0	-57.44	407.63	6.80	-50.64
N#CC1=CC=C(CN2C=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=N2)C=C1	REAL300020237326	1	46	-1.0	-57.43	407.57	6.78	-50.65
N#CC1=CC=C(CN2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)C=C1	REAL300020237327	0	46	-1.0	-50.99	388.42	6.33	-44.66
N#CC1=CC=C(CN2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)C=C1	REAL300020237327	1	46	-1.0	-50.97	388.36	6.32	-44.65
N#CC1=CC=C(CN2C=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=N2)C=C1	REAL300020237328	0	43	-1.0	-63.09	372.98	5.42	-57.67
N#CC1=CC=C(CN2C=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=N2)C=C1	REAL300020237328	1	43	-1.0	-63.03	372.92	5.40	-57.63
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=C(C#N)C=C2)N=C1)C1=NN=N[N-]1	REAL300020237329	0	46	-1.0	-55.15	416.58	5.39	-49.76
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=C(C#N)C=C2)N=C1)C1=N[N-]N=N1	REAL300020237329	1	46	-1.0	-55.19	416.53	5.37	-49.82
N#CC1=CC=C(CN2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)C=C1	REAL300020237330	0	43	-1.0	-52.71	374.46	5.46	-47.25
N#CC1=CC=C(CN2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)C=C1	REAL300020237330	1	43	-1.0	-52.70	374.38	5.45	-47.25
N#CC1=CC=C(CN2C=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)C=C1	REAL300020237331	0	49	-1.0	-58.18	396.42	7.20	-50.98
N#CC1=CC=C(CN2C=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)C=C1	REAL300020237331	1	49	-1.0	-58.16	396.39	7.21	-50.95
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=CC(Cl)=C1F	REAL300020237332	0	35	-1.0	-38.45	340.64	5.86	-32.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=CC(Cl)=C1F	REAL300020237332	1	35	-1.0	-38.46	340.70	5.89	-32.57
O=C(NC1=CC(Cl)=CC(Cl)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237333	0	35	-1.0	-39.35	321.18	5.40	-33.95
O=C(NC1=CC(Cl)=CC(Cl)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237333	1	35	-1.0	-39.34	321.24	5.42	-33.92
O=C(NC1=CC(Cl)=CC(Cl)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020237334	0	32	-1.0	-47.92	307.29	4.49	-43.43
O=C(NC1=CC(Cl)=CC(Cl)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020237334	1	32	-1.0	-47.91	307.35	4.52	-43.39
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300020237335	0	35	-1.0	-41.86	350.83	4.48	-37.38
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300020237335	1	35	-1.0	-41.85	350.89	4.49	-37.36
O=C(NC1=CC(Cl)=CC(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020237336	0	32	-1.0	-39.59	308.69	4.55	-35.04
O=C(NC1=CC(Cl)=CC(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020237336	1	32	-1.0	-39.60	308.76	4.57	-35.03
O=C(NC1=CC(Cl)=CC(Cl)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020237337	0	38	-1.0	-44.65	330.32	6.39	-38.26
O=C(NC1=CC(Cl)=CC(Cl)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020237337	1	38	-1.0	-44.65	330.37	6.40	-38.25
CC(C)(C)OC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237338	0	52	-1.0	-46.15	406.11	4.52	-41.63
CC(C)(C)OC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237338	1	52	-1.0	-46.19	406.17	4.54	-41.65
CC(C)(C)OC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237339	0	49	-1.0	-56.29	390.81	3.61	-52.68
CC(C)(C)OC(=O)NC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237339	1	49	-1.0	-56.26	390.87	3.62	-52.64
CC(C)(C)OC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237340	0	49	-1.0	-46.50	391.68	3.70	-42.80
CC(C)(C)OC(=O)NC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237340	1	49	-1.0	-46.50	391.75	3.70	-42.80
CCC(C)OC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020237341	0	47	-1.0	-45.57	393.69	5.90	-39.67
CCC(C)OC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020237341	1	47	-1.0	-45.57	393.63	5.88	-39.69
CCC(C)OC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020237342	0	47	-1.0	-42.61	372.43	4.54	-38.07
CCC(C)OC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020237342	1	47	-1.0	-42.58	372.37	4.53	-38.05
CCC(C)OC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020237343	0	44	-1.0	-59.25	359.13	4.53	-54.72
CCC(C)OC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020237343	1	44	-1.0	-59.24	359.07	4.51	-54.73
CCC(C)OC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020237344	0	47	-1.0	-51.69	402.32	4.48	-47.21
CCC(C)OC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020237344	1	47	-1.0	-51.65	402.27	4.47	-47.18
CCC(C)OC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020237345	0	44	-1.0	-48.42	360.53	4.59	-43.83
CCC(C)OC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020237345	1	44	-1.0	-48.45	360.46	4.57	-43.88
CCC(C)OC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020237346	0	50	-1.0	-44.03	388.08	4.75	-39.28
CCC(C)OC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020237346	1	50	-1.0	-44.00	388.03	4.71	-39.29
O=C(NC1=CC=NN1CC1CCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237347	0	45	-1.0	-42.32	371.60	6.44	-35.88
O=C(NC1=CC=NN1CC1CCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237347	1	45	-1.0	-42.33	371.54	6.41	-35.92
O=C(NC1=CC=NN1CC1CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237348	0	45	-1.0	-43.45	352.41	5.96	-37.49
O=C(NC1=CC=NN1CC1CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237348	1	45	-1.0	-43.43	352.36	5.94	-37.49
O=C(NC1=CC=NN1CC1CCC1)N1CCCC1C1=NN=N[N-]1	REAL300020237349	0	42	-1.0	-53.42	338.77	5.02	-48.40
O=C(NC1=CC=NN1CC1CCC1)N1CCCC1C1=N[N-]N=N1	REAL300020237349	1	42	-1.0	-53.39	338.72	5.01	-48.38
CSCC[C@H](NC(=O)NC1=CC=NN1CC1CCC1)C1=NN=N[N-]1	REAL300020237350	0	45	-1.0	-46.34	380.57	5.01	-41.33
CSCC[C@H](NC(=O)NC1=CC=NN1CC1CCC1)C1=N[N-]N=N1	REAL300020237350	1	45	-1.0	-46.32	380.52	5.00	-41.32
O=C(NC1=CC=NN1CC1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237351	0	42	-1.0	-44.04	338.45	5.10	-38.94
O=C(NC1=CC=NN1CC1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237351	1	42	-1.0	-44.03	338.37	5.08	-38.95
O=C(NC1=CC=NN1CC1CCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237352	0	48	-1.0	-49.94	362.26	6.81	-43.13
O=C(NC1=CC=NN1CC1CCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237352	1	48	-1.0	-49.94	362.22	6.81	-43.13
CCCNC(=O)CC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020237353	0	47	-1.0	-51.43	391.64	3.13	-48.30
CCCNC(=O)CC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020237353	1	47	-1.0	-51.45	391.70	3.14	-48.31
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020237353	1	46	-2.0	-100.74	390.62	2.28	-98.46
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020237353	1	46	-2.0	-100.73	390.68	2.30	-98.43
CCCNC(=O)CC1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020237354	0	44	-1.0	-59.19	376.20	2.20	-56.99
CCCNC(=O)CC1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020237354	1	44	-1.0	-59.15	376.26	2.22	-56.93
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020237354	1	43	-2.0	-123.14	374.78	1.15	-121.99
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020237354	1	43	-2.0	-123.10	374.83	1.18	-121.92
CCCNC(=O)CC1=CSC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020237355	0	47	-1.0	-53.46	419.81	2.16	-51.30
CCCNC(=O)CC1=CSC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020237355	1	47	-1.0	-53.48	419.87	2.18	-51.30
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020237355	1	46	-2.0	-114.05	416.54	0.97	-113.08
CCCNC(=O)CC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020237356	0	44	-1.0	-48.79	377.66	2.25	-46.54
CCCNC(=O)CC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020237356	1	44	-1.0	-48.83	377.74	2.26	-46.57
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020237356	1	43	-2.0	-101.46	375.57	1.20	-100.26
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020237356	1	43	-2.0	-101.50	375.65	1.22	-100.28
CCCNC(=O)CC1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020237357	0	50	-1.0	-55.69	399.90	3.97	-51.72
CCCNC(=O)CC1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020237357	1	50	-1.0	-55.72	399.95	3.99	-51.73
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020237357	1	49	-2.0	-117.18	399.19	3.26	-113.92
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020237357	1	49	-2.0	-117.20	399.24	3.28	-113.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=CC(C(F)F)=C1	REAL300020237358	0	37	-1.0	-54.37	331.99	3.98	-50.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=CC(C(F)F)=C1	REAL300020237358	1	37	-1.0	-54.39	331.93	3.96	-50.43
O=C(NC1=CN=CC(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237359	0	37	-1.0	-45.31	311.39	3.29	-42.02
O=C(NC1=CN=CC(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237359	1	37	-1.0	-45.31	311.33	3.28	-42.03
O=C(NC1=CN=CC(C(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237360	0	34	-1.0	-53.95	295.78	2.48	-51.47
O=C(NC1=CN=CC(C(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237360	1	34	-1.0	-53.94	295.72	2.46	-51.48
CSCC[C@H](NC(=O)NC1=CN=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL300020237361	0	37	-1.0	-52.31	341.22	2.52	-49.79
CSCC[C@H](NC(=O)NC1=CN=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL300020237361	1	37	-1.0	-52.36	341.17	2.50	-49.86
O=C(NC1=CN=CC(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237362	0	34	-1.0	-48.05	299.34	2.59	-45.46
O=C(NC1=CN=CC(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237362	1	34	-1.0	-48.06	299.26	2.58	-45.48
O=C(NC1=CN=CC(C(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237363	0	40	-1.0	-43.27	325.90	3.61	-39.66
O=C(NC1=CN=CC(C(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237363	1	40	-1.0	-43.30	325.90	3.60	-39.70
COC1=CC=CC(Cl)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237364	0	39	-1.0	-45.16	346.69	5.94	-39.22
COC1=CC=CC(Cl)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237364	1	39	-1.0	-45.14	346.63	5.92	-39.22
COC1=CC=CC(Cl)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237365	0	39	-1.0	-45.44	325.46	3.94	-41.50
COC1=CC=CC(Cl)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237365	1	39	-1.0	-45.44	325.51	3.96	-41.48
COC1=CC=CC(Cl)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237366	0	36	-1.0	-57.39	318.13	3.51	-53.88
COC1=CC=CC(Cl)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237366	1	36	-1.0	-57.36	318.19	3.53	-53.83
COC1=CC=CC(Cl)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020237367	0	39	-1.0	-50.04	361.81	3.47	-46.57
COC1=CC=CC(Cl)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020237367	1	39	-1.0	-50.05	361.87	3.48	-46.57
COC1=CC=CC(Cl)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237368	0	36	-1.0	-46.92	319.67	3.55	-43.37
COC1=CC=CC(Cl)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237368	1	36	-1.0	-46.91	319.75	3.56	-43.35
COC1=CC=CC(Cl)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237369	0	42	-1.0	-52.48	328.85	3.62	-48.86
COC1=CC=CC(Cl)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237369	1	42	-1.0	-52.45	328.90	3.62	-48.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC(OC(F)F)=C1	REAL300020237370	0	39	-1.0	-43.45	348.97	4.40	-39.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC(OC(F)F)=C1	REAL300020237370	1	39	-1.0	-43.41	348.91	4.38	-39.03
O=C(NC1=CC(F)=CC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237371	0	39	-1.0	-46.88	329.84	3.92	-42.96
O=C(NC1=CC(F)=CC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237371	1	39	-1.0	-46.89	329.89	3.93	-42.96
O=C(NC1=CC(F)=CC(OC(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237372	0	36	-1.0	-58.03	314.16	3.04	-54.99
O=C(NC1=CC(F)=CC(OC(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237372	1	36	-1.0	-57.99	314.22	3.05	-54.94
CSCC[C@H](NC(=O)NC1=CC(F)=CC(OC(F)F)=C1)C1=N[N-]N=N1	REAL300020237373	0	39	-1.0	-47.62	357.67	3.01	-44.61
CSCC[C@H](NC(=O)NC1=CC(F)=CC(OC(F)F)=C1)C1=NN=N[N-]1	REAL300020237373	1	39	-1.0	-47.60	357.73	3.03	-44.57
O=C(NC1=CC(F)=CC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237374	0	36	-1.0	-44.77	315.55	3.10	-41.67
O=C(NC1=CC(F)=CC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237374	1	36	-1.0	-44.81	315.63	3.10	-41.71
O=C(NC1=CC(F)=CC(OC(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237375	0	42	-1.0	-42.43	342.16	4.07	-38.36
O=C(NC1=CC(F)=CC(OC(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237375	1	42	-1.0	-42.44	342.20	4.09	-38.35
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(F)C=CC2=C1OCO2	REAL300020237376	0	38	-1.0	-47.32	334.52	4.38	-42.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(F)C=CC2=C1OCO2	REAL300020237376	1	38	-1.0	-47.32	334.46	4.36	-42.96
O=C(NC1=C(F)C=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237377	0	38	-1.0	-45.32	313.66	2.92	-42.40
O=C(NC1=C(F)C=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237377	1	38	-1.0	-45.33	313.72	2.94	-42.39
O=C(NC1=C(F)C=CC2=C1OCO2)N1CCCC1C1=N[N-]N=N1	REAL300020237378	0	35	-1.0	-59.43	305.30	2.17	-57.26
O=C(NC1=C(F)C=CC2=C1OCO2)N1CCCC1C1=NN=N[N-]1	REAL300020237378	1	35	-1.0	-59.46	305.35	2.20	-57.26
CSCC[C@H](NC(=O)NC1=C(F)C=CC2=C1OCO2)C1=N[N-]N=N1	REAL300020237379	0	38	-1.0	-52.29	348.98	2.14	-50.15
CSCC[C@H](NC(=O)NC1=C(F)C=CC2=C1OCO2)C1=NN=N[N-]1	REAL300020237379	1	38	-1.0	-52.28	349.03	2.16	-50.12
O=C(NC1=C(F)C=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020237380	0	35	-1.0	-46.98	306.81	2.23	-44.75
O=C(NC1=C(F)C=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020237380	1	35	-1.0	-47.00	306.89	2.24	-44.76
O=C(NC1=C(F)C=CC2=C1OCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020237381	0	41	-1.0	-52.25	322.54	4.60	-47.65
O=C(NC1=C(F)C=CC2=C1OCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020237381	1	41	-1.0	-52.25	322.60	4.61	-47.64
CN1N=NN=C1C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237382	0	43	-1.0	-53.90	371.47	4.45	-49.45
CN1N=NN=C1C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237382	1	43	-1.0	-53.89	371.41	4.43	-49.46
CN1N=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237383	0	43	-1.0	-48.37	350.05	4.07	-44.30
CN1N=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237383	1	43	-1.0	-48.44	350.11	4.08	-44.36
CN1N=NN=C1C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237384	0	40	-1.0	-55.86	335.52	3.01	-52.85
CN1N=NN=C1C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237384	1	40	-1.0	-55.96	335.58	3.02	-52.94
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=NN=NN1C)C1=N[N-]N=N1	REAL300020237385	0	43	-1.0	-53.49	379.55	2.97	-50.52
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=NN=NN1C)C1=NN=N[N-]1	REAL300020237385	1	43	-1.0	-53.50	379.61	2.98	-50.52
CN1N=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237386	0	40	-1.0	-47.53	337.03	3.06	-44.47
CN1N=NN=C1C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237386	1	40	-1.0	-47.52	337.10	3.08	-44.44
CN1N=NN=C1C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237387	0	46	-1.0	-50.94	358.18	5.09	-45.85
CN1N=NN=C1C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237387	1	46	-1.0	-50.96	358.25	5.09	-45.87
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2N1	REAL300020237388	0	48	-1.0	-46.32	386.85	5.97	-40.35
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2N1	REAL300020237388	1	48	-1.0	-46.30	386.91	5.98	-40.32
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C2N1	REAL300020237389	0	45	-1.0	-54.82	370.78	5.00	-49.82
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C2N1	REAL300020237389	1	45	-1.0	-54.78	370.83	5.03	-49.75
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N1	REAL300020237390	0	45	-1.0	-44.67	372.94	5.12	-39.55
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N1	REAL300020237390	1	45	-1.0	-44.68	373.02	5.14	-39.54
CCOC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2N1	REAL300020237391	0	51	-1.0	-51.70	401.33	5.94	-45.76
CCOC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2N1	REAL300020237391	1	51	-1.0	-51.69	401.38	5.95	-45.74
CC1=C(C(C)(C)C)ON=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237392	0	46	-1.0	-47.40	375.64	6.51	-40.89
CC1=C(C(C)(C)C)ON=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237392	1	46	-1.0	-47.36	375.58	6.48	-40.88
CC1=C(C(C)(C)C)ON=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237393	0	46	-1.0	-49.69	356.60	6.00	-43.69
CC1=C(C(C)(C)C)ON=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237393	1	46	-1.0	-49.65	356.55	5.99	-43.66
CC1=C(C(C)(C)C)ON=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237394	0	43	-1.0	-62.72	341.09	5.14	-57.58
CC1=C(C(C)(C)C)ON=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237394	1	43	-1.0	-62.67	341.03	5.12	-57.55
CSCC[C@H](NC(=O)NC1=NOC(C(C)(C)C)=C1C)C1=NN=N[N-]1	REAL300020237395	0	46	-1.0	-54.20	384.70	5.10	-49.10
CSCC[C@H](NC(=O)NC1=NOC(C(C)(C)C)=C1C)C1=N[N-]N=N1	REAL300020237395	1	46	-1.0	-54.20	384.64	5.09	-49.11
CC1=C(C(C)(C)C)ON=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237396	0	43	-1.0	-50.57	342.82	5.17	-45.40
CC1=C(C(C)(C)C)ON=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237396	1	43	-1.0	-50.59	342.74	5.16	-45.43
CC1=C(C(C)(C)C)ON=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237397	0	49	-1.0	-58.93	364.83	6.90	-52.03
CC1=C(C(C)(C)C)ON=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237397	1	49	-1.0	-58.94	364.78	6.90	-52.04
N#CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(F)C=C1F	REAL300020237398	0	36	-1.0	-54.35	334.47	5.30	-49.05
N#CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(F)C=C1F	REAL300020237398	1	36	-1.0	-54.32	334.41	5.28	-49.04
N#CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(F)C=C1F	REAL300020237399	0	36	-1.0	-42.90	316.47	4.83	-38.07
N#CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(F)C=C1F	REAL300020237399	1	36	-1.0	-42.92	316.52	4.85	-38.07
N#CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(F)C=C1F	REAL300020237400	0	33	-1.0	-52.46	301.13	3.92	-48.54
N#CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(F)C=C1F	REAL300020237400	1	33	-1.0	-52.49	301.19	3.94	-48.55
CSCC[C@H](NC(=O)NC1=CC(C#N)=C(F)C=C1F)C1=N[N-]N=N1	REAL300020237401	0	36	-1.0	-46.12	344.65	3.90	-42.22
CSCC[C@H](NC(=O)NC1=CC(C#N)=C(F)C=C1F)C1=NN=N[N-]1	REAL300020237401	1	36	-1.0	-46.13	344.71	3.91	-42.22
N#CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(F)C=C1F	REAL300020237402	0	33	-1.0	-43.20	302.53	3.97	-39.23
N#CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(F)C=C1F	REAL300020237402	1	33	-1.0	-43.21	302.61	3.98	-39.23
N#CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(F)C=C1F	REAL300020237403	0	39	-1.0	-46.39	324.41	5.70	-40.69
N#CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(F)C=C1F	REAL300020237403	1	39	-1.0	-46.41	324.46	5.70	-40.71
CN(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020237404	0	43	-1.0	-44.51	363.96	4.38	-40.13
CN(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020237404	1	43	-1.0	-44.49	363.90	4.35	-40.14
CN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020237405	0	43	-1.0	-44.90	345.00	3.82	-41.08
CN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020237405	1	43	-1.0	-44.91	345.06	3.84	-41.07
CN(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020237406	0	40	-1.0	-55.83	329.87	2.91	-52.92
CN(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020237406	1	40	-1.0	-55.81	329.92	2.92	-52.89
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C)C(F)=C1)C1=N[N-]N=N1	REAL300020237407	0	43	-1.0	-52.53	373.40	2.87	-49.66
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C)C(F)=C1)C1=NN=N[N-]1	REAL300020237407	1	43	-1.0	-52.60	373.45	2.89	-49.71
CN(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020237408	0	40	-1.0	-47.42	331.24	2.97	-44.45
CN(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020237408	1	40	-1.0	-47.46	331.31	2.97	-44.49
CN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020237409	0	46	-1.0	-40.28	359.64	4.02	-36.26
CN(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020237409	1	46	-1.0	-40.28	359.69	4.04	-36.24
CC(F)(F)C1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237410	0	41	-1.0	-43.19	356.07	6.64	-36.55
CC(F)(F)C1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237410	1	41	-1.0	-43.19	356.02	6.62	-36.57
CC(F)(F)C1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237411	0	41	-1.0	-42.72	335.74	6.08	-36.64
CC(F)(F)C1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237411	1	41	-1.0	-42.75	335.80	6.10	-36.65
CC(F)(F)C1=CC(F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237412	0	38	-1.0	-51.94	321.72	5.19	-46.75
CC(F)(F)C1=CC(F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237412	1	38	-1.0	-51.92	321.78	5.22	-46.70
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1C(C)(F)F)C1=N[N-]N=N1	REAL300020237413	0	41	-1.0	-45.37	364.33	5.11	-40.26
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1C(C)(F)F)C1=NN=N[N-]1	REAL300020237413	1	41	-1.0	-45.39	364.38	5.13	-40.26
CC(F)(F)C1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237414	0	38	-1.0	-42.34	323.10	5.24	-37.10
CC(F)(F)C1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237414	1	38	-1.0	-42.36	323.17	5.25	-37.11
CC(F)(F)C1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237415	0	44	-1.0	-48.55	344.62	7.05	-41.50
CC(F)(F)C1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237415	1	44	-1.0	-48.59	344.68	7.05	-41.54
CC(F)(F)C1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237416	0	41	-1.0	-42.99	351.33	6.51	-36.48
CC(F)(F)C1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237416	1	41	-1.0	-42.96	351.27	6.49	-36.47
CC(F)(F)C1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237417	0	41	-1.0	-41.83	333.66	6.00	-35.83
CC(F)(F)C1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237417	1	41	-1.0	-41.83	333.72	6.02	-35.81
CC(F)(F)C1=C(F)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237418	0	38	-1.0	-50.86	317.01	5.07	-45.79
CC(F)(F)C1=C(F)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237418	1	38	-1.0	-50.86	317.07	5.09	-45.77
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1C(C)(F)F)C1=N[N-]N=N1	REAL300020237419	0	41	-1.0	-44.23	361.45	5.09	-39.14
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1C(C)(F)F)C1=NN=N[N-]1	REAL300020237419	1	41	-1.0	-44.23	361.51	5.10	-39.13
CC(F)(F)C1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237420	0	38	-1.0	-41.00	318.36	5.12	-35.88
CC(F)(F)C1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237420	1	38	-1.0	-41.01	318.44	5.13	-35.88
CC(F)(F)C1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237421	0	44	-1.0	-47.41	341.25	6.89	-40.52
CC(F)(F)C1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237421	1	44	-1.0	-47.46	341.31	6.89	-40.57
CC(=O)C1=CC=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237422	0	40	-1.0	-50.13	344.48	5.56	-44.57
CC(=O)C1=CC=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237422	1	40	-1.0	-50.11	344.53	5.57	-44.54
CC(=O)C1=CC=C(Br)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237423	0	37	-1.0	-65.87	328.08	4.55	-61.32
CC(=O)C1=CC=C(Br)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237423	1	37	-1.0	-65.94	328.14	4.58	-61.36
CC(=O)C1=CC=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237424	0	37	-1.0	-51.42	328.52	4.57	-46.85
CC(=O)C1=CC=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237424	1	37	-1.0	-51.46	328.59	4.59	-46.87
CC1=CC=CC(OC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=C1	REAL300020237425	0	49	-1.0	-44.44	393.98	7.82	-36.62
CC1=CC=CC(OC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=C1	REAL300020237425	1	49	-1.0	-44.45	394.04	7.83	-36.62
CC1=CC=CC(OC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=C1	REAL300020237426	0	46	-1.0	-63.52	378.54	6.91	-56.61
CC1=CC=CC(OC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=C1	REAL300020237426	1	46	-1.0	-63.52	378.60	6.93	-56.59
CSCC[C@H](NC(=O)NC1=CC=CC(OC2=CC=CC(C)=C2)=C1)C1=N[N-]N=N1	REAL300020237427	0	49	-1.0	-55.01	422.06	6.88	-48.13
CSCC[C@H](NC(=O)NC1=CC=CC(OC2=CC=CC(C)=C2)=C1)C1=NN=N[N-]1	REAL300020237427	1	49	-1.0	-55.02	422.12	6.90	-48.12
CC1=CC=CC(OC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020237428	0	46	-1.0	-49.77	379.32	6.91	-42.86
CC1=CC=CC(OC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020237428	1	46	-1.0	-49.75	379.39	6.93	-42.82
CC1=CC=CC(OC2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=C1	REAL300020237429	0	52	-1.0	-45.48	409.14	8.08	-37.40
CC1=CC=CC(OC2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=C1	REAL300020237429	1	52	-1.0	-45.48	409.19	8.09	-37.39
COCC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1OC	REAL300020237430	0	46	-1.0	-42.44	384.58	4.07	-38.37
COCC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1OC	REAL300020237430	1	46	-1.0	-42.44	384.52	4.04	-38.40
COCC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC	REAL300020237431	0	46	-1.0	-44.57	365.97	3.50	-41.07
COCC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC	REAL300020237431	1	46	-1.0	-44.55	366.02	3.51	-41.04
COCC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC	REAL300020237432	0	43	-1.0	-54.12	350.20	2.63	-51.49
COCC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC	REAL300020237432	1	43	-1.0	-54.13	350.26	2.64	-51.49
COCC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OC	REAL300020237433	0	46	-1.0	-47.66	394.02	2.55	-45.11
COCC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OC	REAL300020237433	1	46	-1.0	-47.68	394.08	2.56	-45.12
COCC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC	REAL300020237434	0	43	-1.0	-44.17	351.86	2.67	-41.50
COCC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC	REAL300020237434	1	43	-1.0	-44.15	351.93	2.67	-41.48
COCC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC	REAL300020237435	0	49	-1.0	-44.87	378.25	3.69	-41.18
COCC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC	REAL300020237435	1	49	-1.0	-44.88	378.29	3.69	-41.19
CN1CCN2N=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C1	REAL300020237436	0	44	-1.0	-50.49	362.60	2.61	-47.88
CN1CCN2N=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C1	REAL300020237436	1	44	-1.0	-50.53	362.54	2.59	-47.94
CN1CCN2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C1	REAL300020237437	0	44	-1.0	-45.78	338.95	1.77	-44.01
CN1CCN2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C1	REAL300020237437	1	44	-1.0	-45.73	339.00	1.78	-43.95
CN1CCN2N=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C1	REAL300020237438	0	41	-1.0	-54.62	323.17	0.86	-53.76
CN1CCN2N=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C1	REAL300020237438	1	41	-1.0	-54.58	323.23	0.87	-53.71
CSCC[C@H](NC(=O)NC1=NN2CCN(C)CC2=C1)C1=N[N-]N=N1	REAL300020237439	0	44	-1.0	-48.27	366.80	0.82	-47.45
CSCC[C@H](NC(=O)NC1=NN2CCN(C)CC2=C1)C1=NN=N[N-]1	REAL300020237439	1	44	-1.0	-48.31	366.85	0.84	-47.47
CN1CCN2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1	REAL300020237440	0	41	-1.0	-44.75	324.64	0.92	-43.83
CN1CCN2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1	REAL300020237440	1	41	-1.0	-44.76	324.71	0.92	-43.84
CN1CCN2N=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020237441	0	47	-1.0	-50.93	346.67	2.65	-48.28
CN1CCN2N=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020237441	1	47	-1.0	-50.98	346.71	2.66	-48.32
CCOC(=O)C=CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020237442	0	48	-1.0	-51.67	410.60	7.64	-44.03
CCOC(=O)C=CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020237442	1	48	-1.0	-51.68	410.66	7.66	-44.02
CCOC(=O)C=CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020237443	0	48	-1.0	-46.09	390.60	7.13	-38.96
CCOC(=O)C=CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020237443	1	48	-1.0	-46.11	390.65	7.15	-38.96
CCOC(=O)C=CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020237444	0	45	-1.0	-55.16	376.62	6.19	-48.97
CCOC(=O)C=CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020237444	1	45	-1.0	-55.11	376.67	6.21	-48.90
CCOC(=O)C=CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020237445	0	48	-1.0	-50.26	420.15	6.15	-44.11
CCOC(=O)C=CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020237445	1	48	-1.0	-50.31	420.20	6.17	-44.14
CCOC(=O)C=CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020237446	0	45	-1.0	-46.42	377.99	6.25	-40.17
CCOC(=O)C=CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020237446	1	45	-1.0	-46.44	378.06	6.26	-40.18
CCOC(=O)C=CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020237447	0	51	-1.0	-50.41	399.92	8.03	-42.38
CCOC(=O)C=CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020237447	1	51	-1.0	-50.43	399.96	8.04	-42.39
COC1=CC=C(C2CC2)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020237448	0	46	-1.0	-47.93	379.03	6.40	-41.53
COC1=CC=C(C2CC2)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020237448	1	46	-1.0	-47.93	378.97	6.37	-41.56
COC1=CC=C(C2CC2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237449	0	46	-1.0	-46.48	359.97	5.87	-40.61
COC1=CC=C(C2CC2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237449	1	46	-1.0	-46.55	360.03	5.88	-40.67
COC1=CC=C(C2CC2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237450	0	43	-1.0	-57.76	343.72	4.90	-52.86
COC1=CC=C(C2CC2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237450	1	43	-1.0	-57.75	343.78	4.93	-52.82
COC1=CC=C(C2CC2)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020237451	0	46	-1.0	-49.85	387.20	4.87	-44.98
COC1=CC=C(C2CC2)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020237451	1	46	-1.0	-49.84	387.26	4.89	-44.95
COC1=CC=C(C2CC2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237452	0	43	-1.0	-47.34	345.09	4.97	-42.37
COC1=CC=C(C2CC2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237452	1	43	-1.0	-47.32	345.17	4.98	-42.34
COC1=CC=C(C2CC2)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020237453	0	49	-1.0	-43.67	366.65	5.95	-37.72
COC1=CC=C(C2CC2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020237453	1	49	-1.0	-43.64	366.68	5.96	-37.68
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C2CC2)C=C1F	REAL300020237454	0	42	-1.0	-42.31	357.95	7.03	-35.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C2CC2)C=C1F	REAL300020237454	1	42	-1.0	-42.31	357.89	7.01	-35.30
O=C(NC1=CC=C(C2CC2)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237455	0	42	-1.0	-42.00	337.70	6.53	-35.47
O=C(NC1=CC=C(C2CC2)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237455	1	42	-1.0	-42.01	337.76	6.55	-35.46
O=C(NC1=CC=C(C2CC2)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020237456	0	39	-1.0	-50.81	322.80	5.59	-45.22
O=C(NC1=CC=C(C2CC2)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020237456	1	39	-1.0	-50.80	322.86	5.62	-45.18
CSCC[C@H](NC(=O)NC1=CC=C(C2CC2)C=C1F)C1=N[N-]N=N1	REAL300020237457	0	42	-1.0	-44.76	366.32	5.55	-39.21
CSCC[C@H](NC(=O)NC1=CC=C(C2CC2)C=C1F)C1=NN=N[N-]1	REAL300020237457	1	42	-1.0	-44.73	366.37	5.57	-39.16
O=C(NC1=CC=C(C2CC2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020237458	0	39	-1.0	-41.54	324.97	5.64	-35.90
O=C(NC1=CC=C(C2CC2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020237458	1	39	-1.0	-41.55	325.04	5.65	-35.90
O=C(NC1=CC=C(C2CC2)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020237459	0	45	-1.0	-47.71	346.60	7.50	-40.21
O=C(NC1=CC=C(C2CC2)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020237459	1	45	-1.0	-47.70	346.65	7.50	-40.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1OCCCO2	REAL300020237460	0	44	-1.0	-51.37	365.11	4.84	-46.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1OCCCO2	REAL300020237460	1	44	-1.0	-51.36	365.06	4.81	-46.55
O=C(NC1=CC=CC2=C1OCCCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237461	0	44	-1.0	-43.14	344.39	4.37	-38.77
O=C(NC1=CC=CC2=C1OCCCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237461	1	44	-1.0	-43.14	344.45	4.38	-38.76
O=C(NC1=CC=CC2=C1OCCCO2)N1CCCC1C1=N[N-]N=N1	REAL300020237462	0	41	-1.0	-53.28	330.68	3.44	-49.84
O=C(NC1=CC=CC2=C1OCCCO2)N1CCCC1C1=NN=N[N-]1	REAL300020237462	1	41	-1.0	-53.23	330.74	3.46	-49.77
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OCCCO2)C1=N[N-]N=N1	REAL300020237463	0	44	-1.0	-45.50	373.49	3.39	-42.11
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OCCCO2)C1=NN=N[N-]1	REAL300020237463	1	44	-1.0	-45.48	373.54	3.40	-42.08
O=C(NC1=CC=CC2=C1OCCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020237464	0	41	-1.0	-43.13	331.24	3.49	-39.64
O=C(NC1=CC=CC2=C1OCCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020237464	1	41	-1.0	-43.11	331.31	3.50	-39.61
O=C(NC1=CC=CC2=C1OCCCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020237465	0	47	-1.0	-47.95	353.78	5.22	-42.73
O=C(NC1=CC=CC2=C1OCCCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020237465	1	47	-1.0	-47.97	353.84	5.23	-42.74
N#CC1=CC=CC(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)(F)F)=C1	REAL300020237466	0	42	-1.0	-45.76	362.51	5.93	-39.83
N#CC1=CC=CC(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)(F)F)=C1	REAL300020237466	1	42	-1.0	-45.78	362.57	5.95	-39.83
N#CC1=CC=CC(C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)(F)F)=C1	REAL300020237467	0	39	-1.0	-57.28	347.37	4.96	-52.32
N#CC1=CC=CC(C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)(F)F)=C1	REAL300020237467	1	39	-1.0	-57.29	347.43	4.99	-52.30
CSCC[C@H](NC(=O)NC(C1=CC=CC(C#N)=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300020237468	0	42	-1.0	-50.44	390.95	4.94	-45.50
CSCC[C@H](NC(=O)NC(C1=CC=CC(C#N)=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300020237468	1	42	-1.0	-50.42	391.01	4.95	-45.47
N#CC1=CC=CC(C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)(F)F)=C1	REAL300020237469	0	39	-1.0	-46.97	348.82	5.05	-41.92
N#CC1=CC=CC(C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)(F)F)=C1	REAL300020237469	1	39	-1.0	-46.96	348.90	5.06	-41.90
N#CC1=CC=CC(C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)(F)F)=C1	REAL300020237470	0	45	-1.0	-53.24	365.45	6.90	-46.34
N#CC1=CC=CC(C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)(F)F)=C1	REAL300020237470	1	45	-1.0	-53.23	365.48	6.91	-46.32
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(S(C)(=O)=O)=C1	REAL300020237471	0	44	-1.0	-50.70	384.93	3.02	-47.68
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(S(C)(=O)=O)=C1	REAL300020237471	1	44	-1.0	-50.65	384.87	2.99	-47.66
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(S(C)(=O)=O)=C1	REAL300020237472	0	44	-1.0	-50.20	366.14	2.47	-47.73
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(S(C)(=O)=O)=C1	REAL300020237472	1	44	-1.0	-50.16	366.20	2.48	-47.68
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(S(C)(=O)=O)=C1	REAL300020237473	0	41	-1.0	-65.33	350.56	1.58	-63.75
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(S(C)(=O)=O)=C1	REAL300020237473	1	41	-1.0	-65.35	350.62	1.59	-63.76
CSCC[C@H](NC(=O)NC1=CC(C)=CC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020237474	0	44	-1.0	-58.99	394.40	1.51	-57.48
CSCC[C@H](NC(=O)NC1=CC(C)=CC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020237474	1	44	-1.0	-59.00	394.46	1.53	-57.47
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(S(C)(=O)=O)=C1	REAL300020237475	0	41	-1.0	-51.84	351.99	1.64	-50.20
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(S(C)(=O)=O)=C1	REAL300020237475	1	41	-1.0	-51.83	352.06	1.64	-50.19
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(S(C)(=O)=O)=C1	REAL300020237476	0	47	-1.0	-53.72	378.60	2.61	-51.11
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(S(C)(=O)=O)=C1	REAL300020237476	1	47	-1.0	-53.74	378.65	2.63	-51.11
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC2=CC=CC=C21	REAL300020237477	0	47	-1.0	-48.62	380.42	7.06	-41.56
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC2=CC=CC=C21	REAL300020237477	1	47	-1.0	-48.62	380.47	7.07	-41.55
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020237478	0	44	-1.0	-57.12	365.04	6.14	-50.98
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020237478	1	44	-1.0	-57.06	365.10	6.16	-50.90
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=CC=CC=C21	REAL300020237479	0	44	-1.0	-48.50	366.40	6.20	-42.30
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C21	REAL300020237479	1	44	-1.0	-48.52	366.48	6.21	-42.31
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020237480	0	50	-1.0	-44.24	395.06	7.07	-37.17
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020237480	1	50	-1.0	-44.28	395.10	7.07	-37.21
COC(=O)C1=C(C)SC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237481	0	44	-1.0	-52.80	390.42	6.79	-46.01
COC(=O)C1=C(C)SC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237481	1	44	-1.0	-52.76	390.36	6.77	-45.99
COC(=O)C1=C(C)SC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237482	0	44	-1.0	-49.43	371.38	6.21	-43.22
COC(=O)C1=C(C)SC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237482	1	44	-1.0	-49.43	371.44	6.22	-43.21
COC(=O)C1=C(C)SC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237483	0	41	-1.0	-57.39	354.92	5.39	-52.00
COC(=O)C1=C(C)SC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237483	1	41	-1.0	-57.38	354.99	5.40	-51.98
COC(=O)C1=C(C)SC(C)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020237484	0	44	-1.0	-52.41	399.96	5.34	-47.07
COC(=O)C1=C(C)SC(C)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020237484	1	44	-1.0	-52.35	400.02	5.36	-46.99
COC(=O)C1=C(C)SC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237485	0	41	-1.0	-47.58	363.22	4.72	-42.86
COC(=O)C1=C(C)SC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237485	1	41	-1.0	-47.61	363.29	4.74	-42.87
COC(=O)C1=C(C)SC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237486	0	47	-1.0	-57.13	377.98	5.22	-51.91
COC(=O)C1=C(C)SC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237486	1	47	-1.0	-57.09	378.11	5.25	-51.84
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(=O)C1=CC=CC=C1	REAL300020237487	0	48	-1.0	-57.70	400.69	6.15	-51.55
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(=O)C1=CC=CC=C1	REAL300020237487	1	48	-1.0	-57.74	400.75	6.17	-51.57
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(=O)C1=CC=CC=C1	REAL300020237488	0	48	-1.0	-47.45	394.38	7.24	-40.21
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(=O)C1=CC=CC=C1	REAL300020237488	1	48	-1.0	-47.57	394.46	7.25	-40.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(N2CCCCC2)C(F)=C1	REAL300020237489	0	50	-1.0	-51.45	406.72	6.33	-45.12
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(N2CCCCC2)C(F)=C1	REAL300020237489	1	50	-1.0	-51.46	406.78	6.36	-45.10
O=C(NC1=CC=C(N2CCCCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237490	0	50	-1.0	-42.00	387.53	5.88	-36.12
O=C(NC1=CC=C(N2CCCCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237490	1	50	-1.0	-42.03	387.58	5.90	-36.13
O=C(NC1=CC=C(N2CCCCC2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237491	0	47	-1.0	-55.73	372.22	4.97	-50.76
O=C(NC1=CC=C(N2CCCCC2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237491	1	47	-1.0	-55.72	372.28	4.98	-50.74
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCCC2)C(F)=C1)C1=N[N-]N=N1	REAL300020237492	0	50	-1.0	-51.73	415.49	4.96	-46.77
CSCC[C@H](NC(=O)NC1=CC=C(N2CCCCC2)C(F)=C1)C1=NN=N[N-]1	REAL300020237492	1	50	-1.0	-51.72	415.55	4.97	-46.75
O=C(NC1=CC=C(N2CCCCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237493	0	47	-1.0	-41.94	373.35	5.05	-36.89
O=C(NC1=CC=C(N2CCCCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237493	1	47	-1.0	-41.95	373.42	5.06	-36.89
O=C(NC1=CC=C(N2CCCCC2)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237494	0	53	-1.0	-40.35	402.01	6.08	-34.27
O=C(NC1=CC=C(N2CCCCC2)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237494	1	53	-1.0	-40.36	402.05	6.10	-34.26
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(C)C	REAL300020237495	0	54	-1.0	-53.65	434.56	7.80	-45.85
CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(C)C	REAL300020237495	1	54	-1.0	-53.65	434.62	7.82	-45.83
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(C)C	REAL300020237496	0	54	-1.0	-43.48	415.69	7.30	-36.18
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(C)C	REAL300020237496	1	54	-1.0	-43.46	415.75	7.32	-36.14
CCCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(C)C	REAL300020237497	0	51	-1.0	-52.95	400.21	6.40	-46.55
CCCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(C)C	REAL300020237497	1	51	-1.0	-52.97	400.27	6.42	-46.55
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C(C)C	REAL300020237498	0	54	-1.0	-47.87	443.74	6.37	-41.50
CCCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C(C)C	REAL300020237498	1	54	-1.0	-47.87	443.80	6.38	-41.49
CCCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(C)C	REAL300020237499	0	51	-1.0	-43.59	401.63	6.46	-37.13
CCCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(C)C	REAL300020237499	1	51	-1.0	-43.59	401.70	6.47	-37.12
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(C)C	REAL300020237500	0	57	-1.0	-41.83	427.99	7.50	-34.33
CCCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(C)C	REAL300020237500	1	57	-1.0	-41.85	428.03	7.51	-34.34
CN(C)C1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237501	0	43	-1.0	-42.89	357.93	4.78	-38.11
CN(C)C1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237501	1	43	-1.0	-42.93	357.99	4.79	-38.14
CN(C)C1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237502	0	40	-1.0	-54.49	343.70	3.79	-50.70
CN(C)C1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237502	1	40	-1.0	-54.52	343.76	3.80	-50.72
CN(C)C1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237503	0	40	-1.0	-43.11	344.26	3.89	-39.22
CN(C)C1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237503	1	40	-1.0	-43.08	344.33	3.91	-39.17
CC(C)(C)C1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237504	0	44	-1.0	-54.40	354.26	6.88	-47.52
CC(C)(C)C1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237504	1	44	-1.0	-54.45	354.32	6.89	-47.56
CC(C)(C)C1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237505	0	44	-1.0	-43.19	355.78	6.93	-36.26
CC(C)(C)C1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237505	1	44	-1.0	-43.24	355.86	6.95	-36.29
CN1C(=O)COC2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C21	REAL300020237506	0	44	-1.0	-53.75	366.06	4.51	-49.24
CN1C(=O)COC2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C21	REAL300020237506	1	44	-1.0	-53.73	366.00	4.48	-49.25
CN1C(=O)COC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C21	REAL300020237507	0	44	-1.0	-45.71	346.43	4.07	-41.64
CN1C(=O)COC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C21	REAL300020237507	1	44	-1.0	-45.72	346.49	4.08	-41.64
CN1C(=O)COC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C21	REAL300020237508	0	41	-1.0	-53.70	328.68	3.07	-50.63
CN1C(=O)COC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C21	REAL300020237508	1	41	-1.0	-53.73	328.74	3.08	-50.65
CSCC[C@H](NC(=O)NC1=CC=CC2=C1N(C)C(=O)CO2)C1=N[N-]N=N1	REAL300020237509	0	44	-1.0	-47.76	374.92	3.07	-44.69
CSCC[C@H](NC(=O)NC1=CC=CC2=C1N(C)C(=O)CO2)C1=NN=N[N-]1	REAL300020237509	1	44	-1.0	-47.68	374.97	3.09	-44.59
CN1C(=O)COC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C21	REAL300020237510	0	41	-1.0	-45.60	332.54	3.17	-42.43
CN1C(=O)COC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C21	REAL300020237510	1	41	-1.0	-45.65	332.61	3.19	-42.46
CN1C(=O)COC2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020237511	0	47	-1.0	-50.79	354.32	4.91	-45.88
CN1C(=O)COC2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020237511	1	47	-1.0	-50.78	354.37	4.91	-45.87
CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020237512	0	40	-1.0	-54.45	342.05	5.94	-48.51
CCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020237512	1	40	-1.0	-54.48	341.99	5.91	-48.57
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020237513	0	40	-1.0	-47.63	323.03	5.42	-42.21
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020237513	1	40	-1.0	-47.60	322.97	5.41	-42.19
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1	REAL300020237514	0	40	-1.0	-52.50	351.27	4.47	-48.03
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1	REAL300020237514	1	40	-1.0	-52.52	351.21	4.46	-48.06
CCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020237515	0	43	-1.0	-44.55	336.06	5.00	-39.55
CCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020237515	1	43	-1.0	-44.54	336.01	4.97	-39.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C1=CC=CC(Cl)=C1)C(F)F	REAL300020237516	0	41	-1.0	-45.93	371.89	6.48	-39.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C1=CC=CC(Cl)=C1)C(F)F	REAL300020237516	1	41	-1.0	-45.98	371.95	6.51	-39.47
O=C(NC(C1=CC=CC(Cl)=C1)C(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237517	0	41	-1.0	-41.82	355.12	6.03	-35.79
O=C(NC(C1=CC=CC(Cl)=C1)C(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237517	1	41	-1.0	-41.80	355.18	6.04	-35.76
O=C(NC(C1=CC=CC(Cl)=C1)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020237518	0	38	-1.0	-55.48	337.08	4.98	-50.50
O=C(NC(C1=CC=CC(Cl)=C1)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020237518	1	38	-1.0	-55.47	337.14	5.01	-50.46
CSCC[C@H](NC(=O)NC(C1=CC=CC(Cl)=C1)C(F)F)C1=N[N-]N=N1	REAL300020237519	0	41	-1.0	-48.93	380.64	4.95	-43.98
CSCC[C@H](NC(=O)NC(C1=CC=CC(Cl)=C1)C(F)F)C1=NN=N[N-]1	REAL300020237519	1	41	-1.0	-48.91	380.69	4.97	-43.94
O=C(NC(C1=CC=CC(Cl)=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020237520	0	38	-1.0	-41.60	341.12	5.14	-36.46
O=C(NC(C1=CC=CC(Cl)=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020237520	1	38	-1.0	-41.62	341.19	5.15	-36.47
O=C(NC(C1=CC=CC(Cl)=C1)C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020237521	0	44	-1.0	-50.52	355.15	6.92	-43.60
O=C(NC(C1=CC=CC(Cl)=C1)C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020237521	1	44	-1.0	-50.53	355.20	6.93	-43.60
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020237522	0	41	-1.0	-47.28	362.55	5.47	-41.81
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020237522	1	41	-1.0	-47.26	362.49	5.45	-41.81
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020237523	0	41	-1.0	-44.31	342.12	5.02	-39.29
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020237523	1	41	-1.0	-44.33	342.18	5.04	-39.29
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020237524	0	38	-1.0	-56.49	328.16	4.05	-52.44
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020237524	1	38	-1.0	-56.53	328.21	4.07	-52.46
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020237525	0	41	-1.0	-49.93	371.67	4.01	-45.92
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020237525	1	41	-1.0	-49.94	371.73	4.03	-45.91
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020237526	0	38	-1.0	-49.01	329.53	4.11	-44.90
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020237526	1	38	-1.0	-49.00	329.60	4.11	-44.89
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020237527	0	44	-1.0	-40.28	355.91	5.15	-35.13
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020237527	1	44	-1.0	-40.27	355.94	5.16	-35.11
N#CCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020237528	0	38	-1.0	-58.96	340.97	5.63	-53.33
N#CCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020237528	1	38	-1.0	-58.94	340.91	5.61	-53.33
N#CCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020237529	0	38	-1.0	-52.31	319.24	4.50	-47.81
N#CCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020237529	1	38	-1.0	-52.32	319.30	4.51	-47.81
CSCC[C@H](NC(=O)NC1=CC=CC(CC#N)=N1)C1=N[N-]N=N1	REAL300020237530	0	38	-1.0	-60.31	350.20	4.14	-56.17
CSCC[C@H](NC(=O)NC1=CC=CC(CC#N)=N1)C1=NN=N[N-]1	REAL300020237530	1	38	-1.0	-60.31	350.26	4.16	-56.15
N#CCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020237531	0	41	-1.0	-60.16	330.56	5.94	-54.22
N#CCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020237531	1	41	-1.0	-60.13	330.61	5.96	-54.17
O=C(NC1=CC=C(C(F)C(F)(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237532	0	41	-1.0	-52.32	367.43	6.51	-45.81
O=C(NC1=CC=C(C(F)C(F)(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237532	1	41	-1.0	-52.31	367.49	6.54	-45.77
O=C(NC1=CC=C(C(F)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237533	0	41	-1.0	-46.85	346.77	6.10	-40.75
O=C(NC1=CC=C(C(F)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237533	1	41	-1.0	-46.84	346.83	6.11	-40.73
O=C(NC1=CC=C(C(F)C(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237534	0	38	-1.0	-52.39	332.72	5.16	-47.23
O=C(NC1=CC=C(C(F)C(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237534	1	38	-1.0	-52.40	332.78	5.18	-47.22
CSCC[C@H](NC(=O)NC1=CC=C(C(F)C(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020237535	0	41	-1.0	-46.27	376.45	5.11	-41.16
CSCC[C@H](NC(=O)NC1=CC=C(C(F)C(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020237535	1	41	-1.0	-46.25	376.51	5.12	-41.13
O=C(NC1=CC=C(C(F)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237536	0	38	-1.0	-43.34	334.05	5.23	-38.11
O=C(NC1=CC=C(C(F)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237536	1	38	-1.0	-43.34	334.12	5.24	-38.10
O=C(NC1=CC=C(C(F)C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237537	0	44	-1.0	-53.10	356.90	7.07	-46.03
O=C(NC1=CC=C(C(F)C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237537	1	44	-1.0	-53.10	356.95	7.07	-46.03
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237538	0	48	-1.0	-49.85	410.12	8.31	-41.54
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237538	1	48	-1.0	-49.89	410.07	8.28	-41.61
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237539	0	48	-1.0	-52.15	390.92	7.81	-44.34
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237539	1	48	-1.0	-52.16	390.87	7.80	-44.36
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237540	0	45	-1.0	-65.86	375.49	6.91	-58.95
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237540	1	45	-1.0	-65.82	375.43	6.90	-58.92
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CC=C2)C=C1C)C1=NN=N[N-]1	REAL300020237541	0	48	-1.0	-57.44	419.12	6.88	-50.56
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CC=C2)C=C1C)C1=N[N-]N=N1	REAL300020237541	1	48	-1.0	-57.43	419.06	6.87	-50.56
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237542	0	45	-1.0	-53.39	376.97	6.97	-46.42
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237542	1	45	-1.0	-53.33	376.90	6.96	-46.37
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237543	0	51	-1.0	-58.81	399.42	8.70	-50.11
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237543	1	51	-1.0	-58.87	399.36	8.69	-50.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC=C1C1=CC=CC=C1	REAL300020237544	0	44	-1.0	-40.98	375.06	7.03	-33.95
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC=C1C1=CC=CC=C1	REAL300020237544	1	44	-1.0	-40.96	375.00	7.00	-33.96
O=C(NC1=CC=NC=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237545	0	44	-1.0	-42.48	354.89	6.53	-35.95
O=C(NC1=CC=NC=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237545	1	44	-1.0	-42.47	354.83	6.52	-35.95
O=C(NC1=CC=NC=C1C1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237546	0	41	-1.0	-52.18	339.83	5.57	-46.61
O=C(NC1=CC=NC=C1C1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237546	1	41	-1.0	-52.17	339.89	5.60	-46.57
CSCC[C@H](NC(=O)NC1=CC=NC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020237547	0	44	-1.0	-46.08	384.39	5.60	-40.48
CSCC[C@H](NC(=O)NC1=CC=NC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020237547	1	44	-1.0	-46.09	384.45	5.61	-40.48
O=C(NC1=CC=NC=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237548	0	41	-1.0	-42.16	341.27	5.64	-36.52
O=C(NC1=CC=NC=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237548	1	41	-1.0	-42.20	341.20	5.63	-36.57
O=C(NC1=CC=NC=C1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237549	0	47	-1.0	-40.11	363.13	6.52	-33.59
O=C(NC1=CC=NC=C1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237549	1	47	-1.0	-40.13	363.09	6.48	-33.65
CS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020237550	0	39	-1.0	-58.74	356.23	0.57	-58.17
CS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020237550	1	39	-1.0	-58.71	356.17	0.54	-58.17
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020237551	0	39	-1.0	-49.78	334.02	-0.32	-50.10
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=N1	REAL300020237551	1	39	-1.0	-49.69	333.96	-0.34	-50.03
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300020237552	0	36	-1.0	-71.93	321.53	-0.81	-72.74
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300020237552	1	36	-1.0	-71.93	321.48	-0.81	-72.74
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=O)=O)N=N1)C1=NN=N[N-]1	REAL300020237553	0	39	-1.0	-65.67	365.23	-0.86	-66.53
CSCC[C@H](NC(=O)NC1=CC=C(S(C)(=O)=O)N=N1)C1=N[N-]N=N1	REAL300020237553	1	39	-1.0	-65.64	365.18	-0.87	-66.51
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020237554	0	36	-1.0	-62.18	323.07	-0.76	-62.94
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020237554	1	36	-1.0	-62.17	322.99	-0.77	-62.94
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020237555	0	42	-1.0	-53.07	349.85	0.10	-52.97
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020237555	1	42	-1.0	-53.08	349.80	0.09	-52.99
COC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020237556	0	39	-1.0	-45.40	336.42	1.39	-44.01
COC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020237556	1	39	-1.0	-45.42	336.36	1.37	-44.05
COC1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237557	0	39	-1.0	-46.91	317.24	0.92	-45.99
COC1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237557	1	39	-1.0	-46.93	317.18	0.91	-46.02
COC1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020237558	0	39	-1.0	-50.22	345.40	-0.03	-50.25
COC1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020237558	1	39	-1.0	-50.27	345.34	-0.05	-50.32
COC1=NN(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020237559	0	42	-1.0	-54.78	325.20	1.79	-52.99
COC1=NN(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020237559	1	42	-1.0	-54.76	325.16	1.79	-52.97
O=C(NC1=CN=C(N2CC3CCC(C2)O3)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237560	0	50	-1.0	-45.70	384.08	4.28	-41.42
O=C(NC1=CN=C(N2CC3CCC(C2)O3)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237560	1	50	-1.0	-45.72	384.02	4.26	-41.46
O=C(NC1=CN=C(N2CC3CCC(C2)O3)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237561	0	47	-1.0	-54.42	369.07	3.34	-51.08
O=C(NC1=CN=C(N2CC3CCC(C2)O3)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237561	1	47	-1.0	-54.45	369.01	3.32	-51.13
O=C(NC1=CN=C(N2CC3CCC(C2)O3)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237562	0	47	-1.0	-45.72	370.48	3.39	-42.33
O=C(NC1=CN=C(N2CC3CCC(C2)O3)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237562	1	47	-1.0	-45.65	370.40	3.37	-42.28
O=C(NC1=CN=C(N2CC3CCC(C2)O3)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237563	0	53	-1.0	-53.40	389.86	5.23	-48.17
O=C(NC1=CN=C(N2CC3CCC(C2)O3)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237563	1	53	-1.0	-53.31	389.84	5.22	-48.09
N#CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C1CC1	REAL300020237564	0	43	-1.0	-61.99	371.18	7.12	-54.87
N#CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C1CC1	REAL300020237564	1	43	-1.0	-61.98	371.12	7.10	-54.88
N#CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C1CC1	REAL300020237565	0	43	-1.0	-42.69	352.04	6.61	-36.08
N#CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C1CC1	REAL300020237565	1	43	-1.0	-42.69	352.10	6.63	-36.06
N#CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C1CC1	REAL300020237566	0	40	-1.0	-56.78	336.81	5.69	-51.09
N#CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C1CC1	REAL300020237566	1	40	-1.0	-56.74	336.87	5.70	-51.04
CSCC[C@H](NC(=O)NC1=CC=C(C2CC2)C(C#N)=C1)C1=N[N-]N=N1	REAL300020237567	0	43	-1.0	-53.81	379.99	5.69	-48.12
CSCC[C@H](NC(=O)NC1=CC=C(C2CC2)C(C#N)=C1)C1=NN=N[N-]1	REAL300020237567	1	43	-1.0	-53.81	380.05	5.70	-48.11
N#CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C1CC1	REAL300020237568	0	40	-1.0	-48.75	338.17	5.75	-43.00
N#CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C1CC1	REAL300020237568	1	40	-1.0	-48.76	338.25	5.76	-43.00
N#CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C1CC1	REAL300020237569	0	46	-1.0	-39.35	364.54	6.79	-32.56
N#CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C1CC1	REAL300020237569	1	46	-1.0	-39.34	364.58	6.80	-32.54
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237570	0	57	0.0	-67.96	419.63	6.53	-61.43
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237570	1	57	0.0	-66.19	418.17	6.56	-59.63
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237570	1	57	0.0	-67.96	419.68	6.55	-61.41
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237570	1	57	0.0	-66.18	418.23	6.58	-59.60
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237571	0	54	0.0	-77.53	403.84	5.63	-71.90
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237571	1	54	0.0	-70.17	407.75	5.80	-64.37
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237571	1	54	0.0	-77.57	403.90	5.66	-71.91
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237571	1	54	0.0	-70.18	407.81	5.80	-64.38
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237572	0	54	0.0	-69.01	405.20	5.69	-63.32
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237572	1	54	0.0	-64.86	409.27	5.85	-59.01
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237572	1	54	0.0	-68.98	405.28	5.71	-63.27
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237572	1	54	0.0	-64.89	409.35	5.86	-59.03
COC1=CC=NC(OC)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237573	0	42	-1.0	-44.23	355.90	2.10	-42.13
COC1=CC=NC(OC)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237573	1	42	-1.0	-44.19	355.84	2.08	-42.11
COC1=CC=NC(OC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237574	0	42	-1.0	-47.71	337.74	1.66	-46.05
COC1=CC=NC(OC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237574	1	42	-1.0	-47.71	337.69	1.65	-46.06
COC1=CC=NC(OC)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237575	0	39	-1.0	-60.43	329.29	-0.37	-60.80
COC1=CC=NC(OC)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237575	1	39	-1.0	-60.44	329.23	-0.38	-60.82
COC1=CC=NC(OC)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020237576	0	42	-1.0	-52.15	372.97	-0.40	-52.55
COC1=CC=NC(OC)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020237576	1	42	-1.0	-52.10	372.92	-0.41	-52.51
COC1=CC=NC(OC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237577	0	39	-1.0	-49.01	330.85	-0.33	-49.34
COC1=CC=NC(OC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237577	1	39	-1.0	-49.05	330.77	-0.34	-49.39
COC1=CC=NC(OC)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237578	0	45	-1.0	-52.40	347.96	2.17	-50.23
COC1=CC=NC(OC)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237578	1	45	-1.0	-52.39	347.90	2.15	-50.24
COC(=O)CCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020237579	0	47	-1.0	-56.37	401.52	7.04	-49.33
COC(=O)CCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020237579	1	47	-1.0	-56.37	401.46	7.02	-49.35
COC(=O)CCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237580	0	47	-1.0	-47.06	382.52	6.54	-40.52
COC(=O)CCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237580	1	47	-1.0	-47.08	382.58	6.55	-40.53
COC(=O)CCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237581	0	44	-1.0	-56.46	367.16	5.62	-50.84
COC(=O)CCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237581	1	44	-1.0	-56.47	367.22	5.63	-50.84
COC(=O)CCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020237582	0	47	-1.0	-49.86	410.39	5.61	-44.25
COC(=O)CCC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020237582	1	47	-1.0	-49.84	410.45	5.63	-44.21
COC(=O)CCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237583	0	44	-1.0	-47.01	368.20	5.69	-41.32
COC(=O)CCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237583	1	44	-1.0	-47.04	368.28	5.70	-41.34
COC(=O)CCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020237584	0	50	-1.0	-52.11	390.51	7.42	-44.69
COC(=O)CCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020237584	1	50	-1.0	-52.14	390.56	7.44	-44.70
CCC(=O)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020237585	0	48	-1.0	-56.83	401.49	6.19	-50.64
CCC(=O)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020237585	1	48	-1.0	-56.84	401.44	6.17	-50.67
CCC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020237586	0	48	-1.0	-49.09	382.65	5.73	-43.36
CCC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020237586	1	48	-1.0	-49.09	382.71	5.75	-43.34
CCC(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020237587	0	45	-1.0	-59.02	366.37	4.80	-54.22
CCC(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020237587	1	45	-1.0	-59.06	366.43	4.83	-54.23
CCC(=O)N(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020237588	0	48	-1.0	-58.42	410.45	4.81	-53.61
CCC(=O)N(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020237588	1	48	-1.0	-58.44	410.51	4.82	-53.62
CCC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020237589	0	45	-1.0	-52.25	368.38	4.85	-47.40
CCC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020237589	1	45	-1.0	-52.27	368.46	4.87	-47.40
CCC(=O)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020237590	0	51	-1.0	-62.97	390.42	6.64	-56.33
CCC(=O)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020237590	1	51	-1.0	-62.99	390.47	6.65	-56.34
CNC(=O)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020237591	0	47	-1.0	-47.73	395.53	4.29	-43.44
CNC(=O)N(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020237591	1	47	-1.0	-47.72	395.47	4.26	-43.46
CNC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020237592	0	47	-1.0	-49.92	376.97	3.84	-46.08
CNC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020237592	1	47	-1.0	-49.98	377.02	3.86	-46.12
CNC(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020237593	0	44	-1.0	-59.74	360.30	2.88	-56.86
CNC(=O)N(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020237593	1	44	-1.0	-59.77	360.36	2.90	-56.87
CNC(=O)N(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020237594	0	47	-1.0	-59.31	404.75	2.91	-56.40
CNC(=O)N(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020237594	1	47	-1.0	-59.32	404.81	2.93	-56.39
CNC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020237595	0	44	-1.0	-53.08	362.42	2.94	-50.14
CNC(=O)N(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020237595	1	44	-1.0	-53.08	362.49	2.95	-50.13
CNC(=O)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020237596	0	50	-1.0	-63.74	384.73	4.73	-59.01
CNC(=O)N(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020237596	1	50	-1.0	-63.80	384.78	4.74	-59.06
CC1(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)COC(=O)N1	REAL300020237597	0	47	-1.0	-61.31	392.11	3.44	-57.87
CC1(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)COC(=O)N1	REAL300020237597	1	47	-1.0	-61.33	392.05	3.41	-57.92
CC1(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)COC(=O)N1	REAL300020237598	0	47	-1.0	-51.26	372.93	2.93	-48.33
CC1(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)COC(=O)N1	REAL300020237598	1	47	-1.0	-51.28	372.98	2.95	-48.33
CC1(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)COC(=O)N1	REAL300020237599	0	44	-1.0	-58.04	357.55	2.04	-56.00
CC1(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)COC(=O)N1	REAL300020237599	1	44	-1.0	-58.03	357.61	2.05	-55.98
CSCC[C@H](NC(=O)NC1=CC=CC(C2(C)COC(=O)N2)=C1)C1=N[N-]N=N1	REAL300020237600	0	47	-1.0	-58.95	401.06	2.01	-56.94
CSCC[C@H](NC(=O)NC1=CC=CC(C2(C)COC(=O)N2)=C1)C1=NN=N[N-]1	REAL300020237600	1	47	-1.0	-58.92	401.12	2.02	-56.90
CC1(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)COC(=O)N1	REAL300020237601	0	44	-1.0	-50.36	358.91	2.10	-48.26
CC1(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)COC(=O)N1	REAL300020237601	1	44	-1.0	-50.35	358.99	2.11	-48.24
CC1(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)COC(=O)N1	REAL300020237602	0	50	-1.0	-51.57	387.28	3.15	-48.42
CC1(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)COC(=O)N1	REAL300020237602	1	50	-1.0	-51.59	387.33	3.17	-48.42
CC(=O)C1=C(C)C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020237603	0	46	-1.0	-47.47	386.60	6.54	-40.93
CC(=O)C1=C(C)C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020237603	1	46	-1.0	-47.43	386.54	6.52	-40.91
CC(=O)C1=C(C)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020237604	0	46	-1.0	-46.86	368.27	6.00	-40.86
CC(=O)C1=C(C)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020237604	1	46	-1.0	-46.86	368.33	6.02	-40.84
CC(=O)C1=C(C)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020237605	0	43	-1.0	-57.57	352.75	5.08	-52.49
CC(=O)C1=C(C)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020237605	1	43	-1.0	-57.55	352.81	5.09	-52.46
CSCC[C@H](NC(=O)NC1=CC(C)=C(C(C)=O)C(C)=C1)C1=N[N-]N=N1	REAL300020237606	0	46	-1.0	-47.22	396.38	5.01	-42.21
CSCC[C@H](NC(=O)NC1=CC(C)=C(C(C)=O)C(C)=C1)C1=NN=N[N-]1	REAL300020237606	1	46	-1.0	-47.26	396.44	5.02	-42.24
CC(=O)C1=C(C)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020237607	0	43	-1.0	-46.15	354.21	5.10	-41.05
CC(=O)C1=C(C)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020237607	1	43	-1.0	-46.15	354.28	5.12	-41.03
CC(=O)C1=C(C)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020237608	0	49	-1.0	-54.71	375.79	6.99	-47.72
CC(=O)C1=C(C)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020237608	1	49	-1.0	-50.66	375.83	7.00	-43.66
CC(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020237609	0	47	-1.0	-50.83	381.48	7.01	-43.82
CC(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020237609	1	47	-1.0	-50.87	381.42	6.98	-43.89
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020237610	0	47	-1.0	-44.24	362.22	6.53	-37.71
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020237610	1	47	-1.0	-44.27	362.28	6.55	-37.72
CC(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020237611	0	44	-1.0	-50.97	346.68	5.65	-45.32
CC(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020237611	1	44	-1.0	-50.98	346.74	5.66	-45.32
CSCC[C@H](NC(=O)NC1=CC=C(C(C)(C)C)C(F)=C1)C1=N[N-]N=N1	REAL300020237612	0	47	-1.0	-44.85	390.46	5.58	-39.27
CSCC[C@H](NC(=O)NC1=CC=C(C(C)(C)C)C(F)=C1)C1=NN=N[N-]1	REAL300020237612	1	47	-1.0	-44.83	390.52	5.59	-39.24
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020237613	0	44	-1.0	-41.54	348.05	5.70	-35.84
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020237613	1	44	-1.0	-41.60	348.13	5.71	-35.89
CC(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020237614	0	50	-1.0	-51.32	370.34	7.43	-43.89
CC(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020237614	1	50	-1.0	-51.39	370.39	7.44	-43.95
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237615	0	41	-1.0	-49.20	351.32	1.14	-48.06
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237615	1	41	-1.0	-49.22	351.37	1.15	-48.07
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237615	1	40	-2.0	-94.07	350.27	0.29	-93.78
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237615	1	40	-2.0	-94.06	350.32	0.30	-93.76
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020237616	0	38	-1.0	-65.68	337.91	0.62	-65.06
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020237616	1	38	-1.0	-65.69	337.97	0.64	-65.05
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020237616	1	37	-2.0	-119.91	336.50	-0.44	-120.35
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020237616	1	37	-2.0	-119.93	336.56	-0.42	-120.35
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237617	0	38	-1.0	-48.34	337.30	0.28	-48.06
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237617	1	38	-1.0	-48.35	337.37	0.29	-48.06
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237617	1	37	-2.0	-94.82	335.19	-0.79	-95.61
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237617	1	37	-2.0	-94.85	335.26	-0.78	-95.63
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237618	0	44	-1.0	-58.67	361.59	2.40	-56.27
O=C(NC1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237618	1	44	-1.0	-58.64	361.65	2.41	-56.23
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237618	1	43	-2.0	-103.24	365.56	1.27	-101.97
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237618	1	43	-2.0	-103.24	365.62	1.30	-101.94
NC(=O)C1=NC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2O1	REAL300020237619	0	41	-1.0	-47.75	363.38	-1.46	-49.21
NC(=O)C1=NC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2O1	REAL300020237619	1	41	-1.0	-47.76	363.32	-1.49	-49.25
NC(=O)C1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020237620	0	41	-1.0	-47.29	344.65	-2.01	-49.30
NC(=O)C1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020237620	1	41	-1.0	-47.27	344.60	-2.02	-49.29
NC(=O)C1=NC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020237621	0	38	-1.0	-72.79	329.25	-2.92	-75.71
NC(=O)C1=NC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020237621	1	38	-1.0	-72.80	329.19	-2.95	-75.75
CSCC[C@H](NC(=O)NC1=CC=C2OC(C(N)=O)=NC2=C1)C1=NN=N[N-]1	REAL300020237622	0	41	-1.0	-57.78	372.92	-2.96	-60.74
CSCC[C@H](NC(=O)NC1=CC=C2OC(C(N)=O)=NC2=C1)C1=N[N-]N=N1	REAL300020237622	1	41	-1.0	-57.78	372.86	-2.98	-60.76
NC(=O)C1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020237623	0	38	-1.0	-57.89	330.77	-2.87	-60.76
NC(=O)C1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020237623	1	38	-1.0	-57.91	330.70	-2.88	-60.79
NC(=O)C1=NC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020237624	0	44	-1.0	-49.23	351.02	-1.12	-50.35
NC(=O)C1=NC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020237624	1	44	-1.0	-49.20	350.98	-1.13	-50.33
O=C(NC1=C(C2CC2)SC=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237625	0	38	-1.0	-45.37	339.47	5.57	-39.80
O=C(NC1=C(C2CC2)SC=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237625	1	38	-1.0	-45.31	339.41	5.55	-39.76
O=C(NC1=C(C2CC2)SC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237626	0	38	-1.0	-47.38	320.26	5.08	-42.30
O=C(NC1=C(C2CC2)SC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237626	1	38	-1.0	-47.38	320.20	5.06	-42.32
O=C(NC1=C(C2CC2)SC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020237627	0	35	-1.0	-59.17	304.83	4.19	-54.98
O=C(NC1=C(C2CC2)SC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020237627	1	35	-1.0	-59.15	304.77	4.17	-54.98
CSCC[C@H](NC(=O)NC1=C(C2CC2)SC=N1)C1=NN=N[N-]1	REAL300020237628	0	38	-1.0	-51.39	348.45	4.15	-47.24
CSCC[C@H](NC(=O)NC1=C(C2CC2)SC=N1)C1=N[N-]N=N1	REAL300020237628	1	38	-1.0	-51.41	348.39	4.13	-47.28
O=C(NC1=C(C2CC2)SC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237629	0	35	-1.0	-48.06	306.32	4.23	-43.83
O=C(NC1=C(C2CC2)SC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237629	1	35	-1.0	-48.07	306.25	4.22	-43.85
O=C(NC1=C(C2CC2)SC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237630	0	41	-1.0	-54.71	328.82	6.08	-48.63
O=C(NC1=C(C2CC2)SC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237630	1	41	-1.0	-54.64	328.77	6.08	-48.56
COC1=NSC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237631	0	35	-1.0	-39.66	318.29	0.65	-39.01
COC1=NSC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237631	1	35	-1.0	-39.66	318.24	0.63	-39.03
COC1=NSC=C1[N-]C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237631	1	34	-2.0	-86.01	317.12	-0.60	-86.61
COC1=NSC=C1[N-]C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237631	1	34	-2.0	-85.98	317.06	-0.62	-86.60
COC1=NSC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237632	0	35	-1.0	-40.85	299.26	0.14	-40.71
COC1=NSC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237632	1	35	-1.0	-40.83	299.20	0.13	-40.70
COC1=NSC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020237633	0	35	-1.0	-42.68	327.29	-0.79	-43.47
COC1=NSC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020237633	1	35	-1.0	-42.66	327.24	-0.80	-43.46
COC1=NSC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237634	0	38	-1.0	-45.13	307.32	1.03	-44.10
COC1=NSC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237634	1	38	-1.0	-45.11	307.27	1.02	-44.09
CN1N=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020237635	0	33	-1.0	-54.33	297.58	3.08	-51.25
CN1N=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020237635	1	33	-1.0	-54.31	297.52	3.05	-51.26
CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(N)=O)=N1	REAL300020237636	0	39	-1.0	-44.82	340.19	-0.46	-45.28
CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(N)=O)=N1	REAL300020237636	1	39	-1.0	-44.82	340.13	-0.48	-45.30
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(N)=O)=N1	REAL300020237637	0	39	-1.0	-46.17	321.00	-0.95	-47.12
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(N)=O)=N1	REAL300020237637	1	39	-1.0	-46.13	320.94	-0.96	-47.09
CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(N)=O)=N1	REAL300020237638	0	36	-1.0	-52.99	305.55	-1.84	-54.83
CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(N)=O)=N1	REAL300020237638	1	36	-1.0	-52.93	305.49	-1.84	-54.77
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C(N)=O)C1=NN=N[N-]1	REAL300020237639	0	39	-1.0	-47.70	349.17	-1.88	-49.58
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C(N)=O)C1=N[N-]N=N1	REAL300020237639	1	39	-1.0	-47.74	349.11	-1.90	-49.64
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(N)=O)=N1	REAL300020237640	0	36	-1.0	-44.37	307.05	-1.80	-46.17
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(N)=O)=N1	REAL300020237640	1	36	-1.0	-44.38	306.98	-1.82	-46.20
CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(N)=O)=N1	REAL300020237641	0	42	-1.0	-49.43	329.56	0.04	-49.39
CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(N)=O)=N1	REAL300020237641	1	42	-1.0	-49.39	329.51	0.05	-49.34
CNC(=O)C1=NNN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237642	0	38	-1.0	-45.28	336.83	-0.64	-45.92
CNC(=O)C1=NNN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237642	1	38	-1.0	-45.25	336.77	-0.67	-45.92
CNC(=O)C1=NNN=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237643	0	38	-1.0	-46.91	317.60	-1.12	-48.03
CNC(=O)C1=NNN=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237643	1	38	-1.0	-46.91	317.66	-1.11	-48.02
CNC(=O)C1=NNN=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237644	0	35	-1.0	-55.78	302.13	-2.04	-57.82
CNC(=O)C1=NNN=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237644	1	35	-1.0	-55.85	302.19	-2.02	-57.87
CNC(=O)C1=NNN=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020237645	0	38	-1.0	-49.59	345.75	-2.08	-51.67
CNC(=O)C1=NNN=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020237645	1	38	-1.0	-49.60	345.81	-2.07	-51.67
CNC(=O)C1=NNN=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237646	0	35	-1.0	-45.97	303.60	-1.99	-47.96
CNC(=O)C1=NNN=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237646	1	35	-1.0	-46.03	303.67	-1.98	-48.01
CNC(=O)C1=NNN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237647	0	41	-1.0	-52.01	325.82	-0.26	-52.27
CNC(=O)C1=NNN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237647	1	41	-1.0	-51.99	325.87	-0.26	-52.25
COCC(C)(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020237648	0	41	-1.0	-38.69	349.60	2.81	-35.88
COCC(C)(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020237648	1	41	-1.0	-38.66	349.65	2.83	-35.83
COCC(C)(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020237649	0	41	-1.0	-39.83	330.33	2.33	-37.50
COCC(C)(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020237649	1	41	-1.0	-39.84	330.39	2.34	-37.50
COCC(C)(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020237650	0	38	-1.0	-47.12	314.94	1.39	-45.73
COCC(C)(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020237650	1	38	-1.0	-47.15	315.00	1.42	-45.73
COCC(C)(NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(F)(F)F	REAL300020237651	0	41	-1.0	-41.36	358.38	1.40	-39.96
COCC(C)(NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(F)(F)F	REAL300020237651	1	41	-1.0	-41.33	358.44	1.42	-39.91
COCC(C)(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020237652	0	38	-1.0	-39.13	316.45	1.46	-37.67
COCC(C)(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020237652	1	38	-1.0	-39.18	316.52	1.46	-37.72
COCC(C)(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020237653	0	44	-1.0	-47.07	334.45	3.31	-43.76
COCC(C)(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020237653	1	44	-1.0	-47.04	334.48	3.32	-43.72
CCC(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)F	REAL300020237654	0	37	-1.0	-39.70	322.12	3.90	-35.80
CCC(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)F	REAL300020237654	1	37	-1.0	-39.64	322.06	3.87	-35.77
CCC(NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(F)F	REAL300020237655	0	37	-1.0	-47.73	329.30	2.46	-45.27
CCC(NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(F)F	REAL300020237655	1	37	-1.0	-47.74	329.36	2.48	-45.26
CCC(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)F	REAL300020237656	0	40	-1.0	-46.15	310.96	4.33	-41.82
CCC(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)F	REAL300020237656	1	40	-1.0	-46.15	310.98	4.33	-41.82
CS(C)(=O)=NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020237657	0	47	-1.0	-62.26	390.54	2.61	-59.65
CS(C)(=O)=NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020237657	1	47	-1.0	-62.28	390.60	2.62	-59.66
CS(C)(=O)=NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020237658	0	44	-1.0	-72.63	376.54	1.70	-70.93
CS(C)(=O)=NC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020237658	1	44	-1.0	-72.60	376.60	1.71	-70.89
CS(C)(=O)=NC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020237659	0	44	-1.0	-62.47	377.91	1.75	-60.72
CS(C)(=O)=NC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020237659	1	44	-1.0	-62.47	377.99	1.76	-60.71
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(CCC1=CC=CC=C1)C(F)F	REAL300020237660	0	47	-1.0	-44.53	401.34	7.61	-36.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(CCC1=CC=CC=C1)C(F)F	REAL300020237660	1	47	-1.0	-44.57	401.39	7.64	-36.93
O=C(NC(CCC1=CC=CC=C1)C(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237661	0	47	-1.0	-47.28	382.26	7.24	-40.04
O=C(NC(CCC1=CC=CC=C1)C(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237661	1	47	-1.0	-47.31	382.32	7.26	-40.05
O=C(NC(CCC1=CC=CC=C1)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020237662	0	44	-1.0	-49.56	368.73	6.31	-43.25
O=C(NC(CCC1=CC=CC=C1)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020237662	1	44	-1.0	-49.57	368.79	6.34	-43.23
CSCC[C@H](NC(=O)NC(CCC1=CC=CC=C1)C(F)F)C1=N[N-]N=N1	REAL300020237663	0	47	-1.0	-43.86	412.33	6.28	-37.58
CSCC[C@H](NC(=O)NC(CCC1=CC=CC=C1)C(F)F)C1=NN=N[N-]1	REAL300020237663	1	47	-1.0	-43.88	412.39	6.30	-37.58
O=C(NC(CCC1=CC=CC=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020237664	0	44	-1.0	-41.74	370.30	6.35	-35.39
O=C(NC(CCC1=CC=CC=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020237664	1	44	-1.0	-41.76	370.37	6.36	-35.40
O=C(NC(CCC1=CC=CC=C1)C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020237665	0	50	-1.0	-51.91	385.89	8.23	-43.68
O=C(NC(CCC1=CC=CC=C1)C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020237665	1	50	-1.0	-51.93	385.94	8.24	-43.69
CC(C)(C)OC(=O)NCCC(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)F	REAL300020237666	0	51	-1.0	-53.34	413.96	2.26	-51.08
CC(C)(C)OC(=O)NCCC(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)F	REAL300020237666	1	51	-1.0	-53.35	414.02	2.29	-51.06
CC(C)(C)OC(=O)NCCC(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)F	REAL300020237667	0	51	-1.0	-45.94	415.41	2.31	-43.63
CC(C)(C)OC(=O)NCCC(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)F	REAL300020237667	1	51	-1.0	-45.94	415.49	2.32	-43.62
O=C(NC1=CSN=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237668	0	31	-1.0	-43.33	288.05	2.49	-40.84
O=C(NC1=CSN=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237668	1	31	-1.0	-43.33	287.99	2.47	-40.86
CN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020237669	0	35	-1.0	-41.64	321.06	2.90	-38.74
CN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Cl	REAL300020237669	1	35	-1.0	-41.64	321.01	2.88	-38.76
CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020237670	0	35	-1.0	-43.16	301.87	2.43	-40.73
CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020237670	1	35	-1.0	-43.09	301.81	2.42	-40.67
CSCC[C@H](NC(=O)NC1=C(Cl)N(C)N=C1)C1=NN=N[N-]1	REAL300020237671	0	35	-1.0	-45.88	330.04	1.49	-44.39
CSCC[C@H](NC(=O)NC1=C(Cl)N(C)N=C1)C1=N[N-]N=N1	REAL300020237671	1	35	-1.0	-45.83	329.98	1.47	-44.36
CN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020237672	0	38	-1.0	-49.53	310.44	3.42	-46.11
CN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020237672	1	38	-1.0	-49.51	310.39	3.42	-46.09
O=C(NC1=CSC=C1Cl)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237673	0	32	-1.0	-39.45	307.12	4.31	-35.14
O=C(NC1=CSC=C1Cl)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237673	1	32	-1.0	-39.44	307.06	4.28	-35.16
O=C(NC1=CSC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237674	0	32	-1.0	-40.43	287.84	3.81	-36.62
O=C(NC1=CSC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237674	1	32	-1.0	-40.43	287.89	3.82	-36.61
CSCC[C@H](NC(=O)NC1=CSC=C1Cl)C1=N[N-]N=N1	REAL300020237675	0	32	-1.0	-43.36	316.06	2.87	-40.49
CSCC[C@H](NC(=O)NC1=CSC=C1Cl)C1=NN=N[N-]1	REAL300020237675	1	32	-1.0	-43.36	316.12	2.88	-40.48
O=C(NC1=CSC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020237676	0	35	-1.0	-45.33	296.09	4.68	-40.65
O=C(NC1=CSC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020237676	1	35	-1.0	-45.34	296.14	4.69	-40.65
COC1=CC2=C(OC)C=CN=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237677	0	48	-1.0	-45.60	381.51	3.57	-42.03
COC1=CC2=C(OC)C=CN=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237677	1	48	-1.0	-45.54	381.45	3.56	-41.98
COC1=CC2=C(OC)C=CN=C2C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237678	0	45	-1.0	-55.98	367.27	2.63	-53.35
COC1=CC2=C(OC)C=CN=C2C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237678	1	45	-1.0	-56.03	367.33	2.66	-53.37
COC1=CC2=C(OC)C=CN=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237679	0	45	-1.0	-45.70	367.92	2.72	-42.98
COC1=CC2=C(OC)C=CN=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237679	1	45	-1.0	-45.62	367.84	2.71	-42.91
COC1=CC2=C(OC)C=CN=C2C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020237680	0	51	-1.0	-53.48	390.37	4.55	-48.93
COC1=CC2=C(OC)C=CN=C2C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020237680	1	51	-1.0	-53.44	390.31	4.55	-48.89
O=C(NC1=CC=C2NC(=O)CS(=O)(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237681	0	43	-1.0	-50.88	362.13	-0.34	-51.22
O=C(NC1=CC=C2NC(=O)CS(=O)(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237681	1	43	-1.0	-50.86	362.18	-0.32	-51.18
O=C(NC1=CC=C2NC(=O)CS(=O)(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237682	0	40	-1.0	-65.35	346.79	-1.23	-66.58
O=C(NC1=CC=C2NC(=O)CS(=O)(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237682	1	40	-1.0	-65.34	346.85	-1.22	-66.56
O=C(NC1=CC=C2NC(=O)CS(=O)(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237683	0	40	-1.0	-58.47	347.83	-1.16	-59.63
O=C(NC1=CC=C2NC(=O)CS(=O)(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237683	1	40	-1.0	-58.48	347.90	-1.15	-59.63
CC1=CC(F)=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237684	0	39	-1.0	-45.55	347.86	6.11	-39.44
CC1=CC(F)=C(C#N)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237684	1	39	-1.0	-45.48	347.81	6.08	-39.40
CC1=CC(F)=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237685	0	39	-1.0	-46.84	328.57	5.56	-41.28
CC1=CC(F)=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237685	1	39	-1.0	-46.86	328.62	5.58	-41.28
CC1=CC(F)=C(C#N)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237686	0	36	-1.0	-55.56	313.00	4.65	-50.91
CC1=CC(F)=C(C#N)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237686	1	36	-1.0	-55.54	313.06	4.67	-50.87
CSCC[C@H](NC(=O)NC1=CC(C#N)=C(F)C=C1C)C1=N[N-]N=N1	REAL300020237687	0	39	-1.0	-51.99	356.55	4.60	-47.39
CSCC[C@H](NC(=O)NC1=CC(C#N)=C(F)C=C1C)C1=NN=N[N-]1	REAL300020237687	1	39	-1.0	-52.02	356.61	4.62	-47.40
CC1=CC(F)=C(C#N)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237688	0	36	-1.0	-47.93	314.37	4.70	-43.23
CC1=CC(F)=C(C#N)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237688	1	36	-1.0	-47.94	314.44	4.70	-43.24
CC1=CC(F)=C(C#N)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237689	0	42	-1.0	-51.36	335.97	6.41	-44.95
CC1=CC(F)=C(C#N)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237689	1	42	-1.0	-51.38	336.02	6.41	-44.97
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C1=CSC=C1	REAL300020237690	0	45	-1.0	-55.77	388.84	7.87	-47.90
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C1=CSC=C1	REAL300020237690	1	45	-1.0	-55.75	388.78	7.84	-47.91
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C1=CSC=C1	REAL300020237691	0	45	-1.0	-43.31	370.90	7.39	-35.92
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C1=CSC=C1	REAL300020237691	1	45	-1.0	-43.31	370.96	7.40	-35.91
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C1=CSC=C1	REAL300020237692	0	42	-1.0	-58.23	355.34	6.50	-51.73
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C1=CSC=C1	REAL300020237692	1	42	-1.0	-58.24	355.40	6.51	-51.73
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C2=CSC=C2)=C1)C1=N[N-]N=N1	REAL300020237693	0	45	-1.0	-48.17	398.88	6.46	-41.71
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C2=CSC=C2)=C1)C1=NN=N[N-]1	REAL300020237693	1	45	-1.0	-48.16	398.93	6.48	-41.68
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=CSC=C1	REAL300020237694	0	42	-1.0	-46.07	355.81	6.49	-39.58
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=CSC=C1	REAL300020237694	1	42	-1.0	-46.10	355.89	6.51	-39.59
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=CSC=C1	REAL300020237695	0	48	-1.0	-43.13	383.37	7.56	-35.57
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1=CSC=C1	REAL300020237695	1	48	-1.0	-43.09	383.41	7.57	-35.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCCCC2=N1	REAL300020237696	0	44	-1.0	-47.18	362.31	6.92	-40.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCCCC2=N1	REAL300020237696	1	44	-1.0	-47.17	362.25	6.90	-40.27
O=C(NC1=CC=C2CCCCC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237697	0	44	-1.0	-43.46	340.13	5.80	-37.66
O=C(NC1=CC=C2CCCCC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237697	1	44	-1.0	-43.50	340.19	5.81	-37.69
O=C(NC1=CC=C2CCCCC2=N1)N1CCCC1C1=N[N-]N=N1	REAL300020237698	0	41	-1.0	-62.57	327.74	5.51	-57.06
O=C(NC1=CC=C2CCCCC2=N1)N1CCCC1C1=NN=N[N-]1	REAL300020237698	1	41	-1.0	-62.56	327.80	5.53	-57.03
CSCC[C@H](NC(=O)NC1=CC=C2CCCCC2=N1)C1=N[N-]N=N1	REAL300020237699	0	44	-1.0	-54.44	371.26	5.48	-48.96
CSCC[C@H](NC(=O)NC1=CC=C2CCCCC2=N1)C1=NN=N[N-]1	REAL300020237699	1	44	-1.0	-54.43	371.31	5.50	-48.93
O=C(NC1=CC=C2CCCCC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237700	0	41	-1.0	-50.37	329.11	5.58	-44.79
O=C(NC1=CC=C2CCCCC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237700	1	41	-1.0	-50.38	329.19	5.59	-44.79
O=C(NC1=CC=C2CCCCC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237701	0	47	-1.0	-57.47	351.67	7.27	-50.20
O=C(NC1=CC=C2CCCCC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237701	1	47	-1.0	-57.46	351.73	7.29	-50.17
CN(C)C1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237702	0	43	-1.0	-50.18	362.39	4.73	-45.45
CN(C)C1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237702	1	43	-1.0	-50.21	362.33	4.71	-45.50
CN(C)C1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237703	0	43	-1.0	-43.90	343.05	4.23	-39.67
CN(C)C1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237703	1	43	-1.0	-43.90	343.11	4.24	-39.66
CN(C)C1=CC=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237704	0	40	-1.0	-56.31	328.83	3.24	-53.07
CN(C)C1=CC=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237704	1	40	-1.0	-56.33	328.88	3.25	-53.08
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1N(C)C)C1=N[N-]N=N1	REAL300020237705	0	43	-1.0	-48.78	371.55	3.25	-45.53
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1N(C)C)C1=NN=N[N-]1	REAL300020237705	1	43	-1.0	-48.82	371.61	3.27	-45.55
CN(C)C1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237706	0	40	-1.0	-44.14	329.39	3.35	-40.79
CN(C)C1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237706	1	40	-1.0	-44.13	329.46	3.36	-40.77
CN(C)C1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237707	0	46	-1.0	-50.21	352.02	5.03	-45.18
CN(C)C1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237707	1	46	-1.0	-50.23	352.08	5.03	-45.20
O=C(NC1=C(Br)C2=CC=CC=C2N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237708	0	37	-1.0	-54.74	326.41	4.41	-50.33
O=C(NC1=C(Br)C2=CC=CC=C2N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237708	1	37	-1.0	-54.73	326.35	4.40	-50.33
O=C(NC1=C(Br)C2=CC=CC=C2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237709	0	37	-1.0	-43.63	326.90	4.44	-39.19
O=C(NC1=C(Br)C2=CC=CC=C2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237709	1	37	-1.0	-43.58	326.83	4.43	-39.15
CCC1=CC=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237710	0	41	-1.0	-42.00	344.56	6.51	-35.49
CCC1=CC=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237710	1	41	-1.0	-42.05	344.61	6.52	-35.53
CCC1=CC=C(Br)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020237711	0	38	-1.0	-51.25	329.60	5.57	-45.68
CCC1=CC=C(Br)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020237711	1	38	-1.0	-51.25	329.66	5.59	-45.66
CCC1=CC=C(Br)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020237712	0	41	-1.0	-45.56	373.10	5.53	-40.03
CCC1=CC=C(Br)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020237712	1	41	-1.0	-45.57	373.16	5.54	-40.03
CCC1=CC=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020237713	0	38	-1.0	-41.70	331.87	5.64	-36.06
CCC1=CC=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020237713	1	38	-1.0	-41.74	331.94	5.65	-36.09
CCC1=CC=C(Br)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020237714	0	44	-1.0	-47.80	353.78	7.38	-40.42
CCC1=CC=C(Br)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020237714	1	44	-1.0	-47.82	353.85	7.39	-40.43
COC1=CC=CC(CC2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)=C1	REAL300020237715	0	48	-1.0	-50.41	403.23	6.80	-43.61
COC1=CC=CC(CC2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)=C1	REAL300020237715	1	48	-1.0	-50.39	403.17	6.78	-43.61
COC1=CC=CC(CC2=CN=C(NC(=O)N3CCCC3C3=NN=N[N-]3)S2)=C1	REAL300020237716	0	45	-1.0	-62.66	387.80	5.90	-56.76
COC1=CC=CC(CC2=CN=C(NC(=O)N3CCCC3C3=N[N-]N=N3)S2)=C1	REAL300020237716	1	45	-1.0	-62.66	387.74	5.88	-56.78
COC1=CC=CC(CC2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)S2)=C1	REAL300020237717	0	45	-1.0	-51.07	389.28	5.95	-45.12
COC1=CC=CC(CC2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)S2)=C1	REAL300020237717	1	45	-1.0	-51.06	389.21	5.94	-45.12
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1N1CCCC1	REAL300020237718	0	50	-1.0	-54.01	395.40	6.07	-47.94
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1N1CCCC1	REAL300020237718	1	50	-1.0	-53.99	395.34	6.04	-47.95
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1N1CCCC1	REAL300020237719	0	50	-1.0	-45.79	373.53	5.34	-40.45
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1N1CCCC1	REAL300020237719	1	50	-1.0	-45.80	373.58	5.36	-40.44
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1N1CCCC1	REAL300020237720	0	47	-1.0	-55.66	358.26	4.35	-51.31
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1N1CCCC1	REAL300020237720	1	47	-1.0	-55.65	358.32	4.36	-51.29
CSCC[C@H](NC(=O)NC1=CC=C(C)C(N2CCCC2)=C1)C1=N[N-]N=N1	REAL300020237721	0	50	-1.0	-47.86	403.40	4.46	-43.40
CSCC[C@H](NC(=O)NC1=CC=C(C)C(N2CCCC2)=C1)C1=NN=N[N-]1	REAL300020237721	1	50	-1.0	-47.89	403.46	4.48	-43.41
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1CCCC1	REAL300020237722	0	47	-1.0	-43.67	359.42	4.44	-39.23
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1CCCC1	REAL300020237722	1	47	-1.0	-43.71	359.50	4.45	-39.26
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1N1CCCC1	REAL300020237723	0	53	-1.0	-44.64	384.87	5.55	-39.09
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1N1CCCC1	REAL300020237723	1	53	-1.0	-44.61	384.91	5.56	-39.05
CC1=C(CC2=CC=CC=C2)SC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020237724	0	47	-1.0	-48.41	387.93	7.82	-40.59
CC1=C(CC2=CC=CC=C2)SC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020237724	1	47	-1.0	-48.41	387.99	7.83	-40.58
CC1=C(CC2=CC=CC=C2)SC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020237725	0	44	-1.0	-60.10	375.77	7.02	-53.08
CC1=C(CC2=CC=CC=C2)SC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020237725	1	44	-1.0	-60.11	375.83	7.02	-53.09
CC1=C(CC2=CC=CC=C2)SC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020237726	0	44	-1.0	-49.03	373.93	6.96	-42.07
CC1=C(CC2=CC=CC=C2)SC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020237726	1	44	-1.0	-49.06	374.00	6.97	-42.09
CC1=C(CC2=CC=CC=C2)SC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020237727	0	50	-1.0	-55.22	399.74	8.80	-46.42
CC1=C(CC2=CC=CC=C2)SC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020237727	1	50	-1.0	-55.22	399.80	8.82	-46.40
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020237727	1	49	-2.0	-102.07	403.44	7.68	-94.39
CC1=CC(C(F)(F)F)=CC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237728	0	44	-1.0	-46.84	378.36	7.16	-39.68
CC1=CC(C(F)(F)F)=CC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237728	1	44	-1.0	-46.82	378.42	7.18	-39.64
CC1=CC(C(F)(F)F)=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237729	0	44	-1.0	-41.80	362.71	6.91	-34.89
CC1=CC(C(F)(F)F)=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237729	1	44	-1.0	-41.83	362.76	6.92	-34.91
CC1=CC(C(F)(F)F)=CC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237730	0	41	-1.0	-50.35	344.46	5.83	-44.52
CC1=CC(C(F)(F)F)=CC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237730	1	41	-1.0	-50.39	344.52	5.84	-44.55
CSCC[C@H](NC(=O)NC1=C(C)C=C(C(F)(F)F)C=C1C)C1=N[N-]N=N1	REAL300020237731	0	44	-1.0	-44.17	387.25	5.65	-38.52
CSCC[C@H](NC(=O)NC1=C(C)C=C(C(F)(F)F)C=C1C)C1=NN=N[N-]1	REAL300020237731	1	44	-1.0	-44.19	387.30	5.66	-38.53
CC1=CC(C(F)(F)F)=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237732	0	41	-1.0	-42.34	345.66	5.84	-36.50
CC1=CC(C(F)(F)F)=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237732	1	41	-1.0	-42.32	345.74	5.85	-36.47
CC1=CC(C(F)(F)F)=CC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237733	0	47	-1.0	-46.34	368.46	7.62	-38.72
CC1=CC(C(F)(F)F)=CC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237733	1	47	-1.0	-46.31	368.51	7.62	-38.69
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237734	0	46	-1.0	-47.52	370.06	0.81	-46.71
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237734	1	46	-1.0	-47.55	370.12	0.83	-46.72
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237735	0	43	-1.0	-58.52	356.14	-0.03	-58.55
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237735	1	43	-1.0	-58.51	356.20	-0.02	-58.53
CSCC[C@H](NC(=O)NC1=CC(C)=C(S(N)(=O)=O)C=C1C)C1=N[N-]N=N1	REAL300020237736	0	46	-1.0	-51.45	399.06	-0.16	-51.61
CSCC[C@H](NC(=O)NC1=CC(C)=C(S(N)(=O)=O)C=C1C)C1=NN=N[N-]1	REAL300020237736	1	46	-1.0	-51.45	399.12	-0.15	-51.60
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237737	0	43	-1.0	-49.25	357.90	0.01	-49.24
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237737	1	43	-1.0	-49.30	357.98	0.01	-49.29
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237738	0	49	-1.0	-50.52	378.81	1.68	-48.84
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237738	1	49	-1.0	-50.50	378.86	1.68	-48.82
O=C(NC1=CC=C2CC(=O)NC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237739	0	40	-1.0	-49.70	344.81	3.31	-46.39
O=C(NC1=CC=C2CC(=O)NC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237739	1	40	-1.0	-49.74	344.75	3.28	-46.46
O=C(NC1=CC=C2CC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237740	0	40	-1.0	-45.06	325.78	2.77	-42.29
O=C(NC1=CC=C2CC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237740	1	40	-1.0	-45.04	325.84	2.79	-42.25
O=C(NC1=CC=C2CC(=O)NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237741	0	37	-1.0	-60.28	310.47	1.85	-58.43
O=C(NC1=CC=C2CC(=O)NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237741	1	37	-1.0	-60.33	310.53	1.86	-58.47
CSCC[C@H](NC(=O)NC1=CC=C2CC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020237742	0	40	-1.0	-49.97	354.28	1.79	-48.18
CSCC[C@H](NC(=O)NC1=CC=C2CC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020237742	1	40	-1.0	-49.95	354.33	1.81	-48.14
O=C(NC1=CC=C2CC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237743	0	37	-1.0	-45.35	311.86	1.91	-43.44
O=C(NC1=CC=C2CC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237743	1	37	-1.0	-45.39	311.93	1.92	-43.47
O=C(NC1=CC=C2CC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237744	0	43	-1.0	-41.92	338.52	2.90	-39.02
O=C(NC1=CC=C2CC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237744	1	43	-1.0	-41.88	338.56	2.91	-38.97
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2OC3(C=CC2=C1)CCC3	REAL300020237745	0	48	-1.0	-46.58	396.74	7.26	-39.32
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2OC3(C=CC2=C1)CCC3	REAL300020237745	1	48	-1.0	-46.55	396.68	7.24	-39.31
O=C(NC1=CC=C2OC3(C=CC2=C1)CCC3)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237746	0	48	-1.0	-46.19	378.32	6.74	-39.45
O=C(NC1=CC=C2OC3(C=CC2=C1)CCC3)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237746	1	48	-1.0	-46.17	378.38	6.75	-39.42
O=C(NC1=CC=C2OC3(C=CC2=C1)CCC3)N1CCCC1C1=N[N-]N=N1	REAL300020237747	0	45	-1.0	-57.73	362.38	5.83	-51.90
O=C(NC1=CC=C2OC3(C=CC2=C1)CCC3)N1CCCC1C1=NN=N[N-]1	REAL300020237747	1	45	-1.0	-57.72	362.44	5.85	-51.87
CSCC[C@H](NC(=O)NC1=CC=C2OC3(C=CC2=C1)CCC3)C1=N[N-]N=N1	REAL300020237748	0	48	-1.0	-48.74	405.93	5.79	-42.95
CSCC[C@H](NC(=O)NC1=CC=C2OC3(C=CC2=C1)CCC3)C1=NN=N[N-]1	REAL300020237748	1	48	-1.0	-48.75	405.99	5.81	-42.94
O=C(NC1=CC=C2OC3(C=CC2=C1)CCC3)N1CCC(C2=N[N-]N=N2)C1	REAL300020237749	0	45	-1.0	-46.19	364.05	5.86	-40.33
O=C(NC1=CC=C2OC3(C=CC2=C1)CCC3)N1CCC(C2=NN=N[N-]2)C1	REAL300020237749	1	45	-1.0	-46.20	364.12	5.87	-40.33
O=C(NC1=CC=C2OC3(C=CC2=C1)CCC3)N1CCCCC1CC1=N[N-]N=N1	REAL300020237750	0	51	-1.0	-43.44	392.38	6.91	-36.53
O=C(NC1=CC=C2OC3(C=CC2=C1)CCC3)N1CCCCC1CC1=NN=N[N-]1	REAL300020237750	1	51	-1.0	-43.38	392.44	6.94	-36.44
COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1OC	REAL300020237751	0	43	-1.0	-42.32	363.87	4.20	-38.12
COC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1OC	REAL300020237751	1	43	-1.0	-42.32	363.81	4.18	-38.14
COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1OC	REAL300020237752	0	43	-1.0	-44.28	346.20	3.69	-40.59
COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1OC	REAL300020237752	1	43	-1.0	-44.26	346.26	3.70	-40.56
COC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1OC	REAL300020237753	0	40	-1.0	-52.86	330.32	2.79	-50.07
COC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1OC	REAL300020237753	1	40	-1.0	-52.85	330.38	2.81	-50.04
COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1OC	REAL300020237754	0	43	-1.0	-47.24	373.99	2.76	-44.48
COC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1OC	REAL300020237754	1	43	-1.0	-47.25	374.05	2.77	-44.48
COC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020237755	0	40	-1.0	-43.63	331.84	2.83	-40.80
COC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020237755	1	40	-1.0	-43.66	331.92	2.85	-40.81
COC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1OC	REAL300020237756	0	46	-1.0	-49.00	353.66	4.58	-44.42
COC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1OC	REAL300020237756	1	46	-1.0	-48.92	353.72	4.59	-44.33
CC1=CON=C1CNC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237757	0	37	-1.0	-43.67	325.02	2.85	-40.82
CC1=CON=C1CNC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237757	1	37	-1.0	-43.64	324.96	2.83	-40.81
CSCC[C@H](NC(=O)NCC1=NOC=C1C)C1=N[N-]N=N1	REAL300020237758	0	37	-1.0	-46.70	333.94	1.42	-45.28
CSCC[C@H](NC(=O)NCC1=NOC=C1C)C1=NN=N[N-]1	REAL300020237758	1	37	-1.0	-46.72	334.00	1.44	-45.28
CC1=CON=C1CNC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237759	0	40	-1.0	-53.81	313.98	3.26	-50.55
CC1=CON=C1CNC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237759	1	40	-1.0	-53.83	314.03	3.27	-50.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1N1N=CC=N1	REAL300020237760	0	41	-1.0	-44.85	351.64	5.32	-39.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1N1N=CC=N1	REAL300020237760	1	41	-1.0	-44.84	351.59	5.29	-39.55
O=C(NC1=CC=CC=C1N1N=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237761	0	41	-1.0	-46.70	333.46	4.86	-41.84
O=C(NC1=CC=CC=C1N1N=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237761	1	41	-1.0	-46.69	333.40	4.84	-41.85
O=C(NC1=CC=CC=C1N1N=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020237762	0	38	-1.0	-57.06	317.89	3.97	-53.09
O=C(NC1=CC=CC=C1N1N=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020237762	1	38	-1.0	-57.09	317.83	3.95	-53.14
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1N=CC=N1)C1=NN=N[N-]1	REAL300020237763	0	41	-1.0	-50.39	362.11	3.97	-46.42
CSCC[C@H](NC(=O)NC1=CC=CC=C1N1N=CC=N1)C1=N[N-]N=N1	REAL300020237763	1	41	-1.0	-50.35	362.05	3.95	-46.40
O=C(NC1=CC=CC=C1N1N=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237764	0	38	-1.0	-46.26	318.13	3.97	-42.29
O=C(NC1=CC=CC=C1N1N=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237764	1	38	-1.0	-46.28	318.06	3.96	-42.32
O=C(NC1=CC=CC=C1N1N=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237765	0	44	-1.0	-53.76	340.64	5.82	-47.94
O=C(NC1=CC=CC=C1N1N=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237765	1	44	-1.0	-53.78	340.59	5.81	-47.97
COC1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C#N	REAL300020237766	0	39	-1.0	-45.63	350.49	1.93	-43.70
COC1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C#N	REAL300020237766	1	39	-1.0	-45.56	350.43	1.91	-43.65
COC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C#N	REAL300020237767	0	39	-1.0	-44.61	331.48	1.38	-43.23
COC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C#N	REAL300020237767	1	39	-1.0	-44.60	331.42	1.36	-43.24
COC1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C#N	REAL300020237768	0	36	-1.0	-54.29	316.21	0.53	-53.76
COC1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C#N	REAL300020237768	1	36	-1.0	-54.32	316.15	0.52	-53.80
COC1=NC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C#N	REAL300020237769	0	39	-1.0	-51.23	359.69	0.49	-50.74
COC1=NC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C#N	REAL300020237769	1	39	-1.0	-51.22	359.64	0.47	-50.75
COC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C#N	REAL300020237770	0	36	-1.0	-47.36	317.57	0.59	-46.77
COC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C#N	REAL300020237770	1	36	-1.0	-47.40	317.50	0.57	-46.83
COC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C#N	REAL300020237771	0	42	-1.0	-37.69	344.13	1.60	-36.09
COC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C#N	REAL300020237771	1	42	-1.0	-37.69	344.09	1.59	-36.10
NC(=O)C1=NC=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020237772	0	34	-2.0	-83.04	322.80	-2.32	-85.36
NC(=O)C1=NC=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020237772	1	34	-2.0	-83.04	322.74	-2.35	-85.39
NC(=O)C1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020237772	1	35	-1.0	-44.61	326.04	-1.14	-45.75
NC(=O)C1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020237772	1	35	-1.0	-44.57	325.99	-1.17	-45.74
NC(=O)C1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020237773	0	35	-1.0	-45.78	306.86	-1.61	-47.39
NC(=O)C1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020237773	1	35	-1.0	-45.79	306.80	-1.63	-47.42
NC(=O)C1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020237774	0	32	-1.0	-54.88	291.41	-2.52	-57.40
NC(=O)C1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020237774	1	32	-1.0	-54.89	291.35	-2.54	-57.43
CSCC[C@H](NC(=O)NC1=CN=C(C(N)=O)S1)C1=NN=N[N-]1	REAL300020237775	0	35	-1.0	-48.27	335.03	-2.56	-50.83
CSCC[C@H](NC(=O)NC1=CN=C(C(N)=O)S1)C1=N[N-]N=N1	REAL300020237775	1	35	-1.0	-48.23	334.97	-2.57	-50.80
NC(=O)C1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020237776	0	32	-1.0	-46.10	292.90	-2.48	-48.58
NC(=O)C1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020237776	1	32	-1.0	-46.09	292.82	-2.48	-48.57
NC(=O)C1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020237777	0	38	-1.0	-51.10	315.34	-0.75	-51.85
NC(=O)C1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020237777	1	38	-1.0	-51.17	315.29	-0.76	-51.93
CC1=NC=CC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C12	REAL300020237778	0	43	-1.0	-53.51	359.57	5.91	-47.60
CC1=NC=CC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C12	REAL300020237778	1	43	-1.0	-53.50	359.51	5.89	-47.61
CC1=NC=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C12	REAL300020237779	0	43	-1.0	-44.62	338.92	5.40	-39.22
CC1=NC=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C12	REAL300020237779	1	43	-1.0	-44.62	338.98	5.42	-39.20
CC1=NC=CC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C12	REAL300020237780	0	40	-1.0	-54.35	325.08	4.52	-49.83
CC1=NC=CC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C12	REAL300020237780	1	40	-1.0	-54.36	325.14	4.53	-49.83
CSCC[C@H](NC(=O)NC1=CC=CC2=C(C)N=CC=C12)C1=N[N-]N=N1	REAL300020237781	0	43	-1.0	-47.97	367.79	4.46	-43.51
CSCC[C@H](NC(=O)NC1=CC=CC2=C(C)N=CC=C12)C1=NN=N[N-]1	REAL300020237781	1	43	-1.0	-47.96	367.84	4.48	-43.48
CC1=NC=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300020237782	0	40	-1.0	-45.01	326.58	4.56	-40.45
CC1=NC=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020237782	1	40	-1.0	-45.03	326.65	4.57	-40.46
CC1=NC=CC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C12	REAL300020237783	0	46	-1.0	-50.26	348.51	6.30	-43.96
CC1=NC=CC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C12	REAL300020237783	1	46	-1.0	-50.30	348.57	6.30	-44.00
CNC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=C1	REAL300020237784	0	39	-1.0	-44.65	346.47	2.41	-42.24
CNC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=C1	REAL300020237784	1	39	-1.0	-44.64	346.41	2.38	-42.26
CNC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=C1	REAL300020237785	0	39	-1.0	-45.75	327.22	1.92	-43.83
CNC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=C1	REAL300020237785	1	39	-1.0	-45.73	327.28	1.94	-43.79
CNC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)SC=C1	REAL300020237786	0	36	-1.0	-53.58	311.78	0.99	-52.59
CNC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)SC=C1	REAL300020237786	1	36	-1.0	-53.61	311.84	1.02	-52.59
CNC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC=C1	REAL300020237787	0	39	-1.0	-48.02	355.39	0.98	-47.04
CNC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC=C1	REAL300020237787	1	39	-1.0	-48.05	355.45	0.99	-47.06
CNC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020237788	0	36	-1.0	-44.23	313.25	1.04	-43.19
CNC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020237788	1	36	-1.0	-44.25	313.33	1.06	-43.19
CNC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)SC=C1	REAL300020237789	0	42	-1.0	-49.62	335.78	2.91	-46.71
CNC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)SC=C1	REAL300020237789	1	42	-1.0	-49.63	335.84	2.92	-46.71
CN(C)S(C)(=O)=NCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020237790	0	50	-1.0	-66.22	413.60	1.72	-64.50
CN(C)S(C)(=O)=NCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020237790	1	50	-1.0	-66.19	413.65	1.74	-64.45
CN(C)S(C)(=O)=NCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020237791	0	50	-1.0	-55.47	416.86	2.03	-53.44
CN(C)S(C)(=O)=NCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020237791	1	50	-1.0	-55.46	416.93	2.04	-53.42
O=C(NC1=CC=C(OC2=CC=CC=C2F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237792	0	46	-1.0	-47.89	379.70	7.28	-40.61
O=C(NC1=CC=C(OC2=CC=CC=C2F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237792	1	46	-1.0	-47.95	379.75	7.29	-40.66
O=C(NC1=CC=C(OC2=CC=CC=C2F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237793	0	43	-1.0	-58.63	364.56	6.34	-52.29
O=C(NC1=CC=C(OC2=CC=CC=C2F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237793	1	43	-1.0	-58.60	364.62	6.36	-52.24
O=C(NC1=CC=C(OC2=CC=CC=C2F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237794	0	43	-1.0	-48.14	366.08	6.39	-41.75
O=C(NC1=CC=C(OC2=CC=CC=C2F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237794	1	43	-1.0	-48.16	366.15	6.40	-41.76
O=C(NC1=CC=C(OC2=CC=CC=C2F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237795	0	49	-1.0	-53.13	388.36	8.15	-44.98
O=C(NC1=CC=C(OC2=CC=CC=C2F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237795	1	49	-1.0	-53.15	388.41	8.15	-45.00
O=C(NC1=CC=CC(OC2=CC=CC=C2F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237796	0	46	-1.0	-44.83	378.98	7.24	-37.59
O=C(NC1=CC=CC(OC2=CC=CC=C2F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237796	1	46	-1.0	-44.83	379.04	7.26	-37.57
O=C(NC1=CC=CC(OC2=CC=CC=C2F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237797	0	43	-1.0	-67.16	364.72	6.34	-60.82
O=C(NC1=CC=CC(OC2=CC=CC=C2F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237797	1	43	-1.0	-67.18	364.78	6.36	-60.82
O=C(NC1=CC=CC(OC2=CC=CC=C2F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237798	0	43	-1.0	-53.37	364.40	6.34	-47.03
O=C(NC1=CC=CC(OC2=CC=CC=C2F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237798	1	43	-1.0	-53.36	364.47	6.36	-47.00
O=C(NC1=CC=CC(OC2=CC=CC=C2F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237799	0	49	-1.0	-43.06	388.93	7.54	-35.52
O=C(NC1=CC=CC(OC2=CC=CC=C2F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237799	1	49	-1.0	-43.08	389.00	7.53	-35.55
CCOC1=CC(C(=O)OC)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237800	0	48	-1.0	-42.02	407.22	5.74	-36.28
CCOC1=CC(C(=O)OC)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237800	1	48	-1.0	-42.05	407.28	5.76	-36.29
CCOC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237801	0	48	-1.0	-43.58	388.39	5.29	-38.29
CCOC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237801	1	48	-1.0	-43.61	388.45	5.31	-38.30
CCOC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237802	0	45	-1.0	-51.91	372.97	4.36	-47.55
CCOC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237802	1	45	-1.0	-51.88	373.03	4.39	-47.49
CCOC1=CC(C(=O)OC)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020237803	0	48	-1.0	-46.50	417.33	4.34	-42.16
CCOC1=CC(C(=O)OC)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020237803	1	48	-1.0	-46.50	417.38	4.36	-42.14
CCOC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237804	0	45	-1.0	-43.25	375.15	4.42	-38.83
CCOC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237804	1	45	-1.0	-43.30	375.22	4.43	-38.87
CCOC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237805	0	51	-1.0	-43.45	400.47	5.54	-37.91
CCOC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237805	1	51	-1.0	-43.45	400.59	5.54	-37.91
CC(C)N1C=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020237806	0	41	-1.0	-46.34	365.03	5.65	-40.69
CC(C)N1C=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020237806	1	41	-1.0	-46.26	364.97	5.62	-40.64
CC(C)N1C=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020237807	0	41	-1.0	-48.41	345.82	5.16	-43.25
CC(C)N1C=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020237807	1	41	-1.0	-48.41	345.76	5.15	-43.26
CC(C)N1C=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020237808	0	38	-1.0	-59.71	330.39	4.24	-55.47
CC(C)N1C=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020237808	1	38	-1.0	-59.70	330.33	4.23	-55.47
CSCC[C@H](NC(=O)NC1=NN(C(C)C)C=C1Cl)C1=NN=N[N-]1	REAL300020237809	0	41	-1.0	-52.45	374.01	4.22	-48.23
CSCC[C@H](NC(=O)NC1=NN(C(C)C)C=C1Cl)C1=N[N-]N=N1	REAL300020237809	1	41	-1.0	-52.46	373.95	4.21	-48.25
CC(C)N1C=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020237810	0	38	-1.0	-48.55	331.86	4.32	-44.23
CC(C)N1C=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020237810	1	38	-1.0	-48.50	331.79	4.30	-44.20
CC(C)N1C=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020237811	0	44	-1.0	-55.10	354.30	6.03	-49.07
CC(C)N1C=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020237811	1	44	-1.0	-55.12	354.26	6.02	-49.10
CCN1C=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020237812	0	38	-1.0	-47.08	346.36	5.12	-41.96
CCN1C=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020237812	1	38	-1.0	-47.10	346.30	5.10	-42.00
CCN1C=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020237813	0	38	-1.0	-49.06	327.15	4.65	-44.41
CCN1C=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020237813	1	38	-1.0	-49.08	327.10	4.63	-44.45
CCN1C=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020237814	0	35	-1.0	-60.66	311.70	3.72	-56.94
CCN1C=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020237814	1	35	-1.0	-60.66	311.64	3.72	-56.94
CCN1C=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020237815	0	38	-1.0	-52.86	355.34	3.70	-49.16
CCN1C=C(Cl)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020237815	1	38	-1.0	-52.83	355.28	3.68	-49.15
CCN1C=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020237816	0	35	-1.0	-49.35	313.20	3.80	-45.55
CCN1C=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020237816	1	35	-1.0	-49.32	313.12	3.78	-45.54
CCN1C=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020237817	0	41	-1.0	-55.37	335.40	5.51	-49.86
CCN1C=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020237817	1	41	-1.0	-55.39	335.35	5.51	-49.88
CC(C)(C)OCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237818	0	51	-1.0	-47.88	409.00	6.93	-40.95
CC(C)(C)OCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237818	1	51	-1.0	-47.86	408.95	6.91	-40.95
CC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237819	0	51	-1.0	-42.51	389.42	6.44	-36.07
CC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237819	1	51	-1.0	-42.54	389.47	6.46	-36.08
CC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237820	0	48	-1.0	-54.02	375.62	5.55	-48.47
CC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237820	1	48	-1.0	-54.04	375.68	5.57	-48.47
CSCC[C@H](NC(=O)NC1=CC=CC=C1COC(C)(C)C)C1=N[N-]N=N1	REAL300020237821	0	51	-1.0	-46.81	418.31	5.49	-41.32
CSCC[C@H](NC(=O)NC1=CC=CC=C1COC(C)(C)C)C1=NN=N[N-]1	REAL300020237821	1	51	-1.0	-46.79	418.37	5.51	-41.28
CC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237822	0	48	-1.0	-43.16	377.00	5.60	-37.56
CC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237822	1	48	-1.0	-43.16	377.07	5.62	-37.54
CC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237823	0	54	-1.0	-49.79	398.60	7.43	-42.36
CC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237823	1	54	-1.0	-49.78	398.65	7.43	-42.35
CCC1=CC(C(=O)OC)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237824	0	47	-1.0	-44.70	396.16	7.15	-37.55
CCC1=CC(C(=O)OC)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237824	1	47	-1.0	-44.69	396.11	7.13	-37.56
CCC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237825	0	47	-1.0	-43.58	377.11	6.61	-36.97
CCC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237825	1	47	-1.0	-43.57	377.17	6.62	-36.95
CCC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237826	0	44	-1.0	-52.09	361.14	5.65	-46.44
CCC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237826	1	44	-1.0	-52.06	361.19	5.68	-46.38
CCC1=CC(C(=O)OC)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020237827	0	47	-1.0	-45.78	404.66	5.62	-40.16
CCC1=CC(C(=O)OC)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020237827	1	47	-1.0	-45.82	404.71	5.64	-40.18
CCC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237828	0	44	-1.0	-43.75	362.47	5.73	-38.02
CCC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237828	1	44	-1.0	-43.73	362.55	5.74	-37.99
CCC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237829	0	50	-1.0	-49.73	384.96	7.56	-42.17
CCC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237829	1	50	-1.0	-49.74	385.02	7.57	-42.17
NC(=O)C1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=C1	REAL300020237830	0	47	-1.0	-65.86	391.55	3.01	-62.85
NC(=O)C1=CC=CC(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=C1	REAL300020237830	1	47	-1.0	-65.80	391.61	3.03	-62.77
NC(=O)C1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020237831	0	47	-1.0	-54.31	393.06	3.06	-51.25
NC(=O)C1=CC=CC(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020237831	1	47	-1.0	-54.31	393.13	3.07	-51.24
COC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1Br	REAL300020237832	0	41	-1.0	-42.68	346.48	2.36	-40.32
COC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1Br	REAL300020237832	1	41	-1.0	-42.70	346.54	2.37	-40.33
COC1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1Br	REAL300020237833	0	38	-1.0	-53.89	330.98	1.47	-52.42
COC1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1Br	REAL300020237833	1	38	-1.0	-53.91	331.04	1.49	-52.42
COC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1Br	REAL300020237834	0	38	-1.0	-43.69	332.48	1.51	-42.18
COC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1Br	REAL300020237834	1	38	-1.0	-43.77	332.56	1.52	-42.25
CC1=NC(C)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020237835	0	37	-1.0	-41.67	329.48	3.41	-38.26
CC1=NC(C)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020237835	1	37	-1.0	-41.66	329.42	3.39	-38.27
CC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020237835	1	36	-2.0	-84.58	327.86	2.32	-82.26
CC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020237835	1	36	-2.0	-84.65	327.80	2.29	-82.36
CC1=NC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020237836	0	37	-1.0	-42.97	310.19	2.94	-40.03
CC1=NC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020237836	1	37	-1.0	-43.02	310.25	2.95	-40.07
CSCC[C@H](NC(=O)NC1=C(C)N=C(C)S1)C1=N[N-]N=N1	REAL300020237837	0	37	-1.0	-45.25	338.38	1.98	-43.27
CSCC[C@H](NC(=O)NC1=C(C)N=C(C)S1)C1=NN=N[N-]1	REAL300020237837	1	37	-1.0	-45.26	338.43	2.00	-43.26
CC1=NC(C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020237838	0	40	-1.0	-47.18	318.44	3.80	-43.38
CC1=NC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020237838	1	40	-1.0	-47.19	318.50	3.80	-43.39
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1SC	REAL300020237839	0	45	-1.0	-43.66	393.64	6.29	-37.37
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1SC	REAL300020237839	1	45	-1.0	-43.65	393.69	6.31	-37.34
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1SC	REAL300020237840	0	45	-1.0	-44.87	374.68	5.79	-39.08
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1SC	REAL300020237840	1	45	-1.0	-44.87	374.74	5.81	-39.06
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1SC	REAL300020237841	0	42	-1.0	-52.86	359.30	4.89	-47.97
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1SC	REAL300020237841	1	42	-1.0	-52.88	359.36	4.90	-47.98
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1SC	REAL300020237842	0	45	-1.0	-50.54	402.81	4.86	-45.68
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1SC	REAL300020237842	1	45	-1.0	-50.57	402.87	4.87	-45.70
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1SC	REAL300020237843	0	42	-1.0	-44.81	360.64	4.95	-39.86
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1SC	REAL300020237843	1	42	-1.0	-44.82	360.71	4.96	-39.86
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1SC	REAL300020237844	0	48	-1.0	-42.02	387.06	5.99	-36.03
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1SC	REAL300020237844	1	48	-1.0	-42.01	387.11	5.99	-36.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C1CCOCC1)C(F)(F)F	REAL300020237845	0	45	-1.0	-41.73	369.83	4.05	-37.68
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C1CCOCC1)C(F)(F)F	REAL300020237845	1	45	-1.0	-41.76	369.89	4.07	-37.69
O=C(NC(C1CCOCC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237846	0	45	-1.0	-42.44	350.99	3.58	-38.86
O=C(NC(C1CCOCC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237846	1	45	-1.0	-42.47	351.05	3.60	-38.87
O=C(NC(C1CCOCC1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020237847	0	42	-1.0	-53.29	335.22	2.67	-50.62
O=C(NC(C1CCOCC1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020237847	1	42	-1.0	-53.29	335.28	2.69	-50.60
CSCC[C@H](NC(=O)NC(C1CCOCC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020237848	0	45	-1.0	-47.31	378.83	2.64	-44.67
CSCC[C@H](NC(=O)NC(C1CCOCC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020237848	1	45	-1.0	-47.30	378.88	2.66	-44.64
O=C(NC(C1CCOCC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020237849	0	42	-1.0	-44.38	339.17	2.57	-41.81
O=C(NC(C1CCOCC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020237849	1	42	-1.0	-44.39	339.24	2.59	-41.80
O=C(NC(C1CCOCC1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020237850	0	48	-1.0	-51.64	360.19	4.46	-47.18
O=C(NC(C1CCOCC1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020237850	1	48	-1.0	-51.62	360.21	4.48	-47.14
CC1=NOC(C(C)C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237851	0	43	-1.0	-41.73	360.36	4.94	-36.79
CC1=NOC(C(C)C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237851	1	43	-1.0	-41.74	360.31	4.92	-36.82
CC1=NOC(C(C)C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237852	0	43	-1.0	-42.60	341.33	4.43	-38.17
CC1=NOC(C(C)C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237852	1	43	-1.0	-42.63	341.39	4.45	-38.18
CC1=NOC(C(C)C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237853	0	40	-1.0	-51.98	323.95	3.50	-48.48
CC1=NOC(C(C)C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237853	1	40	-1.0	-51.98	324.01	3.52	-48.46
CSCC[C@H](NC(=O)NC1=C(C(C)C)ON=C1C)C1=N[N-]N=N1	REAL300020237854	0	43	-1.0	-46.23	373.54	3.49	-42.74
CSCC[C@H](NC(=O)NC1=C(C(C)C)ON=C1C)C1=NN=N[N-]1	REAL300020237854	1	43	-1.0	-46.24	373.60	3.50	-42.74
CC1=NOC(C(C)C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237855	0	40	-1.0	-43.33	325.34	3.56	-39.77
CC1=NOC(C(C)C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237855	1	40	-1.0	-43.33	325.41	3.57	-39.76
CC1=NOC(C(C)C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237856	0	46	-1.0	-39.71	352.39	4.46	-35.25
CC1=NOC(C(C)C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237856	1	46	-1.0	-39.68	352.44	4.46	-35.22
CC1=CC=C2N=C([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=N1	REAL300020237857	0	38	-2.0	-91.56	348.04	2.90	-88.66
CC1=CC=C2N=C([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=N1	REAL300020237857	1	38	-2.0	-91.59	347.99	2.87	-88.72
CC1=CC=C2N=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=N1	REAL300020237857	1	39	-1.0	-51.89	351.31	4.08	-47.81
CC1=CC=C2N=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=N1	REAL300020237857	1	39	-1.0	-51.86	351.25	4.06	-47.80
CC1=CC=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=N1	REAL300020237858	0	39	-1.0	-46.67	332.03	3.60	-43.07
CC1=CC=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=N1	REAL300020237858	1	39	-1.0	-46.68	332.09	3.61	-43.07
CC1=CC=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=N1	REAL300020237858	1	38	-2.0	-93.94	331.02	2.77	-91.17
CC1=CC=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=N1	REAL300020237858	1	38	-2.0	-93.96	331.07	2.79	-91.17
CC1=CC=C2N=C(NC(=O)N3CCCC3C3=N[N-]N=N3)SC2=N1	REAL300020237859	0	36	-1.0	-55.40	316.59	2.69	-52.71
CC1=CC=C2N=C(NC(=O)N3CCCC3C3=NN=N[N-]3)SC2=N1	REAL300020237859	1	36	-1.0	-55.34	316.64	2.70	-52.64
CC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)SC2=N1	REAL300020237859	1	35	-2.0	-115.34	315.18	1.66	-113.68
CC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)SC2=N1	REAL300020237859	1	35	-2.0	-115.33	315.23	1.66	-113.67
CSCC[C@H](NC(=O)NC1=NC2=CC=C(C)N=C2S1)C1=N[N-]N=N1	REAL300020237860	0	39	-1.0	-48.80	360.21	2.65	-46.15
CSCC[C@H](NC(=O)NC1=NC2=CC=C(C)N=C2S1)C1=NN=N[N-]1	REAL300020237860	1	39	-1.0	-48.85	360.26	2.67	-46.18
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=C(C)N=C2S1)C1=N[N-]N=N1	REAL300020237860	1	38	-2.0	-105.45	356.96	1.47	-103.98
CC1=CC=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020237861	0	36	-1.0	-45.64	318.06	2.73	-42.91
CC1=CC=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020237861	1	36	-1.0	-45.73	318.13	2.75	-42.98
CC1=CC=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020237861	1	35	-2.0	-94.29	315.93	1.70	-92.59
CC1=CC=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020237861	1	35	-2.0	-94.28	316.01	1.70	-92.58
CC1=CC=C2N=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=N1	REAL300020237862	0	42	-1.0	-52.46	340.37	4.48	-47.98
CC1=CC=C2N=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=N1	REAL300020237862	1	42	-1.0	-52.44	340.41	4.48	-47.96
CC1=CC=C2N=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=N1	REAL300020237862	1	41	-2.0	-99.58	344.01	3.33	-96.25
CC1=CC=C2N=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=N1	REAL300020237862	1	41	-2.0	-99.55	344.08	3.33	-96.22
O=C(NC1=CN(C2CCCC2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237863	0	45	-1.0	-44.62	368.19	5.19	-39.43
O=C(NC1=CN(C2CCCC2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237863	1	45	-1.0	-44.62	368.13	5.17	-39.45
O=C(NC1=CN(C2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237864	0	45	-1.0	-46.08	349.07	4.74	-41.34
O=C(NC1=CN(C2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237864	1	45	-1.0	-46.04	349.01	4.72	-41.32
O=C(NC1=CN(C2CCCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237865	0	42	-1.0	-57.60	333.58	3.82	-53.78
O=C(NC1=CN(C2CCCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237865	1	42	-1.0	-57.61	333.53	3.80	-53.81
CSCC[C@H](NC(=O)NC1=CN(C2CCCC2)N=C1)C1=NN=N[N-]1	REAL300020237866	0	45	-1.0	-50.32	377.17	3.78	-46.54
CSCC[C@H](NC(=O)NC1=CN(C2CCCC2)N=C1)C1=N[N-]N=N1	REAL300020237866	1	45	-1.0	-50.29	377.11	3.76	-46.53
O=C(NC1=CN(C2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237867	0	42	-1.0	-46.92	335.02	3.85	-43.07
O=C(NC1=CN(C2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237867	1	42	-1.0	-46.95	334.94	3.84	-43.11
O=C(NC1=CN(C2CCCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237868	0	48	-1.0	-53.73	357.63	5.62	-48.11
O=C(NC1=CN(C2CCCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237868	1	48	-1.0	-53.73	357.58	5.61	-48.12
CC1=CC=C2OC(C3=CC=C(NC(=O)N4CCCC4C4=NN=N[N-]4)C=C3)=NC2=C1	REAL300020237869	0	47	-1.0	-56.85	392.95	4.82	-52.03
CC1=CC=C2OC(C3=CC=C(NC(=O)N4CCCC4C4=N[N-]N=N4)C=C3)=NC2=C1	REAL300020237869	1	47	-1.0	-56.84	392.89	4.81	-52.03
CC1=CC=C2OC(C3=CC=C(NC(=O)N4CCC(C5=NN=N[N-]5)C4)C=C3)=NC2=C1	REAL300020237870	0	47	-1.0	-49.83	394.34	4.88	-44.95
CC1=CC=C2OC(C3=CC=C(NC(=O)N4CCC(C5=N[N-]N=N5)C4)C=C3)=NC2=C1	REAL300020237870	1	47	-1.0	-49.85	394.26	4.87	-44.98
CN(C(=O)C1CC1)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020237871	0	49	-1.0	-46.60	412.16	6.91	-39.69
CN(C(=O)C1CC1)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020237871	1	49	-1.0	-46.63	412.21	6.94	-39.69
CN(C(=O)C1CC1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020237872	0	49	-1.0	-48.78	393.43	6.47	-42.31
CN(C(=O)C1CC1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020237872	1	49	-1.0	-48.82	393.49	6.49	-42.33
CN(C(=O)C1CC1)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020237873	0	46	-1.0	-65.25	377.20	5.51	-59.74
CN(C(=O)C1CC1)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020237873	1	46	-1.0	-65.27	377.26	5.53	-59.74
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C(=O)C2CC2)C=C1)C1=N[N-]N=N1	REAL300020237874	0	49	-1.0	-52.84	420.23	5.55	-47.29
CSCC[C@H](NC(=O)NC1=CC=C(N(C)C(=O)C2CC2)C=C1)C1=NN=N[N-]1	REAL300020237874	1	49	-1.0	-52.82	420.29	5.56	-47.26
CN(C(=O)C1CC1)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020237875	0	46	-1.0	-50.15	378.05	5.63	-44.52
CN(C(=O)C1CC1)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020237875	1	46	-1.0	-50.21	378.12	5.65	-44.56
CN(C(=O)C1CC1)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020237876	0	52	-1.0	-63.11	401.15	7.38	-55.73
CN(C(=O)C1CC1)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020237876	1	52	-1.0	-63.13	401.20	7.38	-55.75
N#CCC(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020237877	0	35	-1.0	-47.66	325.43	3.54	-44.12
N#CCC(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020237877	1	35	-1.0	-47.73	325.37	3.51	-44.22
N#CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020237878	0	35	-1.0	-49.63	305.88	3.09	-46.54
N#CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020237878	1	35	-1.0	-49.58	305.94	3.11	-46.47
N#CCC(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020237879	0	32	-1.0	-58.24	290.75	2.13	-56.11
N#CCC(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020237879	1	32	-1.0	-58.21	290.81	2.15	-56.06
CSCC[C@H](NC(=O)NC(CC#N)C(F)(F)F)C1=N[N-]N=N1	REAL300020237880	0	35	-1.0	-50.81	334.38	2.09	-48.72
CSCC[C@H](NC(=O)NC(CC#N)C(F)(F)F)C1=NN=N[N-]1	REAL300020237880	1	35	-1.0	-50.79	334.44	2.11	-48.68
N#CCC(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020237881	0	32	-1.0	-48.57	292.21	2.21	-46.36
N#CCC(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020237881	1	32	-1.0	-48.65	292.29	2.22	-46.43
N#CCC(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020237882	0	38	-1.0	-53.44	314.38	3.95	-49.49
N#CCC(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020237882	1	38	-1.0	-53.44	314.43	3.96	-49.48
CC1=NN2C(=C1)N=CC=C2NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237883	0	40	-1.0	-55.17	349.15	5.20	-49.97
CC1=NN2C(=C1)N=CC=C2NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237883	1	40	-1.0	-55.17	349.09	5.17	-50.00
CC1=NN2C(=C1)N=CC=C2NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237884	0	40	-1.0	-43.34	325.99	4.53	-38.81
CC1=NN2C(=C1)N=CC=C2NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237884	1	40	-1.0	-43.32	326.05	4.55	-38.77
CC1=NN2C(=C1)N=CC=C2NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237885	0	37	-1.0	-66.87	314.46	3.78	-63.09
CC1=NN2C(=C1)N=CC=C2NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237885	1	37	-1.0	-66.90	314.52	3.81	-63.09
CSCC[C@H](NC(=O)NC1=CC=NC2=CC(C)=NN21)C1=N[N-]N=N1	REAL300020237886	0	40	-1.0	-53.13	358.61	3.64	-49.49
CSCC[C@H](NC(=O)NC1=CC=NC2=CC(C)=NN21)C1=NN=N[N-]1	REAL300020237886	1	40	-1.0	-53.19	358.67	3.66	-49.53
CC1=NN2C(=C1)N=CC=C2NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237887	0	37	-1.0	-53.34	315.84	3.84	-49.50
CC1=NN2C(=C1)N=CC=C2NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237887	1	37	-1.0	-53.36	315.92	3.85	-49.51
CC1=NN2C(=C1)N=CC=C2NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237888	0	43	-1.0	-56.94	338.17	5.65	-51.29
CC1=NN2C(=C1)N=CC=C2NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237888	1	43	-1.0	-57.02	338.22	5.67	-51.35
CC(C)(C)OC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020237889	0	49	-1.0	-65.90	408.63	5.70	-60.20
CC(C)(C)OC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020237889	1	49	-1.0	-65.91	408.57	5.68	-60.23
CC(C)(C)OC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020237890	0	49	-1.0	-43.57	389.66	5.20	-38.37
CC(C)(C)OC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020237890	1	49	-1.0	-43.54	389.60	5.18	-38.36
CC(C)(C)OC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=N1	REAL300020237891	0	46	-1.0	-60.69	374.38	4.30	-56.39
CC(C)(C)OC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=N1	REAL300020237891	1	46	-1.0	-60.67	374.32	4.29	-56.38
CSCC[C@H](NC(=O)NC1=CC=NC(C(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020237892	0	49	-1.0	-46.20	417.87	4.25	-41.95
CSCC[C@H](NC(=O)NC1=CC=NC(C(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020237892	1	49	-1.0	-46.22	417.82	4.24	-41.98
CC(C)(C)OC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020237893	0	46	-1.0	-51.63	375.76	4.35	-47.28
CC(C)(C)OC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020237893	1	46	-1.0	-51.64	375.69	4.34	-47.30
CC(C)(C)OC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020237894	0	52	-1.0	-42.82	404.08	5.38	-37.44
CC(C)(C)OC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020237894	1	52	-1.0	-42.78	404.03	5.37	-37.41
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237895	0	46	-1.0	-43.10	378.21	7.21	-35.89
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237895	1	46	-1.0	-43.11	378.27	7.22	-35.89
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237896	0	43	-1.0	-52.78	363.38	6.28	-46.50
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237896	1	43	-1.0	-52.79	363.44	6.30	-46.49
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237897	0	43	-1.0	-44.24	365.76	6.34	-37.90
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237897	1	43	-1.0	-44.24	365.84	6.35	-37.89
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237898	0	49	-1.0	-48.96	388.57	8.14	-40.82
O=C(NC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237898	1	49	-1.0	-48.98	388.63	8.15	-40.83
CN1C(=O)C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2N(C)C1=O	REAL300020237899	0	47	-1.0	-47.76	375.63	4.56	-43.20
CN1C(=O)C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2N(C)C1=O	REAL300020237899	1	47	-1.0	-47.75	375.69	4.57	-43.18
CN1C(=O)C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2N(C)C1=O	REAL300020237900	0	44	-1.0	-54.83	359.40	3.59	-51.24
CN1C(=O)C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2N(C)C1=O	REAL300020237900	1	44	-1.0	-54.77	359.46	3.60	-51.17
CN1C(=O)C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2N(C)C1=O	REAL300020237901	0	44	-1.0	-48.13	360.41	3.66	-44.47
CN1C(=O)C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2N(C)C1=O	REAL300020237901	1	44	-1.0	-48.13	360.49	3.68	-44.45
CN1C(=O)C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2N(C)C1=O	REAL300020237902	0	50	-1.0	-39.25	389.05	4.72	-34.53
CN1C(=O)C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2N(C)C1=O	REAL300020237902	1	50	-1.0	-39.31	389.10	4.72	-34.59
COC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020237903	0	39	-1.0	-45.40	336.42	1.39	-44.01
COC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020237903	1	39	-1.0	-45.42	336.36	1.37	-44.05
COC1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020237904	0	39	-1.0	-46.91	317.24	0.92	-45.99
COC1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020237904	1	39	-1.0	-46.93	317.18	0.91	-46.02
COC1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020237905	0	39	-1.0	-50.22	345.40	-0.03	-50.25
COC1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020237905	1	39	-1.0	-50.27	345.34	-0.05	-50.32
COC1=NN(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020237906	0	42	-1.0	-54.78	325.20	1.79	-52.99
COC1=NN(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020237906	1	42	-1.0	-54.76	325.16	1.79	-52.97
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C2CCCN21	REAL300020237907	0	45	-1.0	-51.21	383.68	6.38	-44.83
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C2CCCN21	REAL300020237907	1	45	-1.0	-51.13	383.62	6.35	-44.78
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C2CCCN21	REAL300020237908	0	45	-1.0	-52.89	364.39	5.88	-47.01
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C2CCCN21	REAL300020237908	1	45	-1.0	-52.85	364.45	5.90	-46.95
COC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C2CCCN21	REAL300020237909	0	42	-1.0	-64.25	348.99	4.98	-59.27
COC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C2CCCN21	REAL300020237909	1	42	-1.0	-64.27	349.05	5.01	-59.26
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C2CCCN21	REAL300020237910	0	45	-1.0	-57.15	392.60	4.96	-52.19
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C2CCCN21	REAL300020237910	1	45	-1.0	-57.10	392.66	4.97	-52.13
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C2CCCN21	REAL300020237911	0	42	-1.0	-52.52	350.45	5.03	-47.49
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C2CCCN21	REAL300020237911	1	42	-1.0	-52.50	350.53	5.05	-47.45
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C2CCCN21	REAL300020237912	0	48	-1.0	-60.27	372.98	6.88	-53.39
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C2CCCN21	REAL300020237912	1	48	-1.0	-60.31	373.03	6.88	-53.43
O=C(NCC=C(Cl)Cl)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237913	0	32	-1.0	-40.94	312.61	3.55	-37.39
O=C(NCC=C(Cl)Cl)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237913	1	32	-1.0	-40.93	312.56	3.53	-37.40
O=C(NCC=C(Cl)Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237914	0	32	-1.0	-42.94	293.38	3.09	-39.85
O=C(NCC=C(Cl)Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237914	1	32	-1.0	-42.94	293.44	3.11	-39.83
CSCC[C@H](NC(=O)NCC=C(Cl)Cl)C1=N[N-]N=N1	REAL300020237915	0	32	-1.0	-44.26	321.54	2.12	-42.14
CSCC[C@H](NC(=O)NCC=C(Cl)Cl)C1=NN=N[N-]1	REAL300020237915	1	32	-1.0	-44.29	321.60	2.14	-42.15
O=C(NCC=C(Cl)Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020237916	0	35	-1.0	-46.42	301.95	3.99	-42.43
O=C(NCC=C(Cl)Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020237916	1	35	-1.0	-46.41	302.00	3.99	-42.42
CCOC1=NC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2O1	REAL300020237917	0	44	-1.0	-44.86	379.32	1.70	-43.16
CCOC1=NC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2O1	REAL300020237917	1	44	-1.0	-44.85	379.27	1.68	-43.17
CCOC1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020237918	0	44	-1.0	-44.38	360.67	1.15	-43.23
CCOC1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020237918	1	44	-1.0	-44.38	360.62	1.14	-43.24
CCOC1=NC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020237919	0	41	-1.0	-67.56	345.19	0.25	-67.31
CCOC1=NC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020237919	1	41	-1.0	-67.51	345.13	0.23	-67.28
CCOC1=NC2=CC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C2O1	REAL300020237920	0	44	-1.0	-53.58	388.86	0.21	-53.37
CCOC1=NC2=CC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C2O1	REAL300020237920	1	44	-1.0	-53.59	388.80	0.19	-53.40
CCOC1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020237921	0	41	-1.0	-53.00	346.71	0.29	-52.71
CCOC1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020237921	1	41	-1.0	-52.98	346.63	0.28	-52.70
CCOC1=NC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020237922	0	47	-1.0	-47.64	366.97	2.04	-45.60
CCOC1=NC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020237922	1	47	-1.0	-47.62	366.94	2.03	-45.59
CN(C)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020237923	0	43	-1.0	-51.99	373.79	5.03	-46.96
CN(C)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020237923	1	43	-1.0	-51.98	373.74	5.01	-46.97
CN(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020237924	0	43	-1.0	-42.26	354.86	4.50	-37.76
CN(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020237924	1	43	-1.0	-42.28	354.92	4.52	-37.76
CN(C)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020237925	0	40	-1.0	-50.64	339.43	3.61	-47.03
CN(C)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020237925	1	40	-1.0	-50.64	339.49	3.62	-47.02
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(N(C)C)=C1)C1=N[N-]N=N1	REAL300020237926	0	43	-1.0	-45.75	382.91	3.57	-42.18
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(N(C)C)=C1)C1=NN=N[N-]1	REAL300020237926	1	43	-1.0	-45.70	382.97	3.58	-42.12
CN(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020237927	0	40	-1.0	-42.22	340.79	3.66	-38.56
CN(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020237927	1	40	-1.0	-42.22	340.87	3.67	-38.55
CN(C)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020237928	0	46	-1.0	-38.75	367.13	4.70	-34.05
CN(C)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020237928	1	46	-1.0	-39.06	367.26	4.71	-34.35
O=C(NC1=CC=C(CO)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237929	0	39	-1.0	-55.99	336.12	2.08	-53.91
O=C(NC1=CC=C(CO)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237929	1	39	-1.0	-55.95	336.07	2.06	-53.89
O=C(NC1=CC=C(CO)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237930	0	39	-1.0	-44.92	316.72	1.64	-43.28
O=C(NC1=CC=C(CO)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237930	1	39	-1.0	-44.95	316.78	1.65	-43.30
CSCC[C@H](NC(=O)NC1=CC=C(CO)C=C1)C1=N[N-]N=N1	REAL300020237931	0	39	-1.0	-50.89	345.09	0.65	-50.24
CSCC[C@H](NC(=O)NC1=CC=C(CO)C=C1)C1=NN=N[N-]1	REAL300020237931	1	39	-1.0	-50.93	345.15	0.67	-50.26
O=C(NC1=CC=C(CO)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237932	0	42	-1.0	-52.89	324.86	2.53	-50.36
O=C(NC1=CC=C(CO)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237932	1	42	-1.0	-52.85	324.91	2.54	-50.31
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020237933	0	38	-1.0	-50.90	338.74	5.86	-45.04
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020237933	1	38	-1.0	-50.87	338.69	5.84	-45.03
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020237934	0	38	-1.0	-41.74	319.49	5.39	-36.35
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020237934	1	38	-1.0	-41.76	319.55	5.40	-36.36
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020237935	0	35	-1.0	-51.38	303.94	4.50	-46.88
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020237935	1	35	-1.0	-51.39	304.00	4.51	-46.88
CSCC[C@H](NC(=O)NC1=CC=C(C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020237936	0	38	-1.0	-47.36	347.46	4.47	-42.89
CSCC[C@H](NC(=O)NC1=CC=C(C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020237936	1	38	-1.0	-47.34	347.52	4.48	-42.86
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020237937	0	35	-1.0	-45.84	305.56	4.53	-41.31
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020237937	1	35	-1.0	-45.83	305.64	4.53	-41.30
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020237938	0	41	-1.0	-40.51	333.98	5.57	-34.94
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020237938	1	41	-1.0	-40.44	334.04	5.59	-34.85
CC1CC(C)(C)C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C21	REAL300020237939	0	51	-1.0	-53.92	402.70	8.67	-45.25
CC1CC(C)(C)C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C21	REAL300020237939	1	51	-1.0	-53.91	402.65	8.65	-45.26
CC1CC(C)(C)C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C21	REAL300020237940	0	51	-1.0	-43.43	383.14	8.24	-35.19
CC1CC(C)(C)C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C21	REAL300020237940	1	51	-1.0	-43.41	383.20	8.26	-35.15
CC1CC(C)(C)C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C21	REAL300020237941	0	48	-1.0	-55.62	369.26	7.32	-48.30
CC1CC(C)(C)C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C21	REAL300020237941	1	48	-1.0	-55.58	369.32	7.33	-48.25
CSCC[C@H](NC(=O)NC1=CC=CC2=C1C(C)CC2(C)C)C1=N[N-]N=N1	REAL300020237942	0	51	-1.0	-47.26	413.60	7.31	-39.95
CSCC[C@H](NC(=O)NC1=CC=CC2=C1C(C)CC2(C)C)C1=NN=N[N-]1	REAL300020237942	1	51	-1.0	-47.28	413.66	7.32	-39.96
CC1CC(C)(C)C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C21	REAL300020237943	0	48	-1.0	-43.79	371.42	7.40	-36.39
CC1CC(C)(C)C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C21	REAL300020237943	1	48	-1.0	-43.85	371.49	7.41	-36.44
CC1CC(C)(C)C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020237944	0	54	-1.0	-51.48	389.47	8.53	-42.95
CC1CC(C)(C)C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020237944	1	54	-1.0	-51.52	389.51	8.53	-42.99
CC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1Br	REAL300020237945	0	40	-1.0	-43.22	332.23	4.34	-38.88
CC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1Br	REAL300020237945	1	40	-1.0	-43.21	332.29	4.35	-38.86
CC1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=C1Br	REAL300020237946	0	37	-1.0	-54.87	318.04	3.47	-51.40
CC1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=C1Br	REAL300020237946	1	37	-1.0	-54.93	318.10	3.49	-51.44
CC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1Br	REAL300020237947	0	37	-1.0	-43.76	319.55	3.52	-40.24
CC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1Br	REAL300020237947	1	37	-1.0	-43.80	319.62	3.53	-40.27
CC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1Br	REAL300020237948	0	43	-1.0	-49.36	341.52	5.21	-44.15
CC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1Br	REAL300020237948	1	43	-1.0	-49.40	341.57	5.21	-44.19
O=C(NC1=CC=C(N2N=NC3=CC=CC=C32)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237949	0	47	-1.0	-52.05	383.23	6.07	-45.98
O=C(NC1=CC=C(N2N=NC3=CC=CC=C32)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237949	1	47	-1.0	-52.03	383.17	6.06	-45.97
O=C(NC1=CC=C(N2N=NC3=CC=CC=C32)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237950	0	44	-1.0	-54.98	367.80	5.16	-49.82
O=C(NC1=CC=C(N2N=NC3=CC=CC=C32)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237950	1	44	-1.0	-54.94	367.74	5.14	-49.80
O=C(NC1=CC=C(N2N=NC3=CC=CC=C32)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237951	0	44	-1.0	-47.62	369.20	5.21	-42.41
O=C(NC1=CC=C(N2N=NC3=CC=CC=C32)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237951	1	44	-1.0	-47.61	369.12	5.20	-42.41
O=C(NC1=NN(CCN2CCNC2=O)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237952	0	48	-1.0	-50.06	406.72	3.09	-46.97
O=C(NC1=NN(CCN2CCNC2=O)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237952	1	48	-1.0	-50.02	406.66	3.07	-46.95
O=C(NC1=NN(CCN2CCNC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237953	0	48	-1.0	-51.61	387.56	2.60	-49.01
O=C(NC1=NN(CCN2CCNC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237953	1	48	-1.0	-51.56	387.50	2.59	-48.97
O=C(NC1=NN(CCN2CCNC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237954	0	45	-1.0	-60.97	372.09	1.69	-59.28
O=C(NC1=NN(CCN2CCNC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237954	1	45	-1.0	-60.97	372.03	1.67	-59.30
CSCC[C@H](NC(=O)NC1=NN(CCN2CCNC2=O)C=C1)C1=NN=N[N-]1	REAL300020237955	0	48	-1.0	-55.42	415.70	1.66	-53.76
CSCC[C@H](NC(=O)NC1=NN(CCN2CCNC2=O)C=C1)C1=N[N-]N=N1	REAL300020237955	1	48	-1.0	-55.44	415.65	1.64	-53.80
O=C(NC1=NN(CCN2CCNC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237956	0	45	-1.0	-51.32	373.58	1.74	-49.58
O=C(NC1=NN(CCN2CCNC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237956	1	45	-1.0	-51.30	373.51	1.73	-49.57
O=C(NC1=NN(CCN2CCNC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237957	0	51	-1.0	-56.80	395.52	3.49	-53.31
O=C(NC1=NN(CCN2CCNC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237957	1	51	-1.0	-56.80	395.47	3.48	-53.32
CC(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020237958	0	46	-1.0	-60.21	375.85	6.78	-53.43
CC(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020237958	1	46	-1.0	-60.22	375.79	6.75	-53.47
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020237959	0	46	-1.0	-47.44	356.61	6.29	-41.15
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020237959	1	46	-1.0	-47.38	356.55	6.27	-41.11
CC(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL300020237960	0	43	-1.0	-60.32	341.32	5.40	-54.92
CC(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL300020237960	1	43	-1.0	-60.32	341.26	5.38	-54.94
CSCC[C@H](NC(=O)NC1=CC=C(C(C)(C)C)C=N1)C1=NN=N[N-]1	REAL300020237961	0	46	-1.0	-52.44	384.86	5.35	-47.09
CSCC[C@H](NC(=O)NC1=CC=C(C(C)(C)C)C=N1)C1=N[N-]N=N1	REAL300020237961	1	46	-1.0	-52.41	384.80	5.33	-47.08
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020237962	0	43	-1.0	-49.00	342.70	5.45	-43.55
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020237962	1	43	-1.0	-48.96	342.63	5.43	-43.53
CC(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020237963	0	49	-1.0	-55.26	364.87	7.15	-48.11
CC(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020237963	1	49	-1.0	-55.26	364.83	7.15	-48.11
CC1=NC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2S1	REAL300020237964	0	40	-1.0	-44.84	355.94	4.94	-39.90
CC1=NC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2S1	REAL300020237964	1	40	-1.0	-44.83	355.88	4.92	-39.91
CC1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2S1	REAL300020237965	0	40	-1.0	-44.24	337.15	4.39	-39.85
CC1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2S1	REAL300020237965	1	40	-1.0	-44.26	337.21	4.41	-39.85
CC1=NC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2S1	REAL300020237966	0	37	-1.0	-53.39	321.43	3.50	-49.89
CC1=NC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2S1	REAL300020237966	1	37	-1.0	-53.39	321.49	3.52	-49.87
CSCC[C@H](NC(=O)NC1=CC=C2SC(C)=NC2=C1)C1=N[N-]N=N1	REAL300020237967	0	40	-1.0	-47.27	365.41	3.44	-43.83
CSCC[C@H](NC(=O)NC1=CC=C2SC(C)=NC2=C1)C1=NN=N[N-]1	REAL300020237967	1	40	-1.0	-47.26	365.47	3.45	-43.81
CC1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2S1	REAL300020237968	0	37	-1.0	-51.07	322.99	3.55	-47.52
CC1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2S1	REAL300020237968	1	37	-1.0	-51.06	323.07	3.57	-47.49
CC1=NC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2S1	REAL300020237969	0	43	-1.0	-49.00	343.51	5.33	-43.67
CC1=NC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2S1	REAL300020237969	1	43	-1.0	-48.98	343.54	5.33	-43.65
CC1=NC(C(N)=O)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237970	0	41	-1.0	-47.66	353.56	0.75	-46.91
CC1=NC(C(N)=O)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237970	1	41	-1.0	-47.69	353.50	0.73	-46.96
CC1=NC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237971	0	41	-1.0	-45.78	331.66	-0.09	-45.87
CC1=NC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237971	1	41	-1.0	-45.81	331.71	-0.07	-45.88
CC1=NC(C(N)=O)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020237972	0	38	-1.0	-54.79	318.25	-0.75	-55.54
CC1=NC(C(N)=O)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020237972	1	38	-1.0	-54.77	318.31	-0.72	-55.49
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)N=C1C)C1=N[N-]N=N1	REAL300020237973	0	41	-1.0	-47.99	361.76	-0.80	-48.79
CSCC[C@H](NC(=O)NC1=CC=C(C(N)=O)N=C1C)C1=NN=N[N-]1	REAL300020237973	1	41	-1.0	-48.00	361.82	-0.78	-48.78
CC1=NC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020237974	0	38	-1.0	-46.82	319.61	-0.68	-47.50
CC1=NC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020237974	1	38	-1.0	-46.79	319.69	-0.67	-47.46
CC1=NC(C(N)=O)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020237975	0	44	-1.0	-53.39	339.90	0.98	-52.41
CC1=NC(C(N)=O)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020237975	1	44	-1.0	-53.38	339.94	0.99	-52.39
CC1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020237976	0	36	-1.0	-48.06	315.51	3.29	-44.77
CC1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020237976	1	36	-1.0	-48.05	315.45	3.26	-44.79
CSCC[C@H](NC(=O)NC1=CN=C(C)C=N1)C1=N[N-]N=N1	REAL300020237977	0	36	-1.0	-50.52	324.71	1.81	-48.71
CSCC[C@H](NC(=O)NC1=CN=C(C)C=N1)C1=NN=N[N-]1	REAL300020237977	1	36	-1.0	-50.52	324.76	1.82	-48.70
CC1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020237978	0	39	-1.0	-52.60	305.11	3.60	-49.00
CC1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020237978	1	39	-1.0	-52.58	305.17	3.62	-48.96
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C[N+]([O-])=C1	REAL300020237979	0	35	-1.0	-51.01	310.05	3.46	-47.55
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C[N+]([O-])=C1	REAL300020237979	1	35	-1.0	-50.95	309.99	3.43	-47.52
CSCC[C@H](NC(=O)NC1=CC=C[N+]([O-])=C1)C1=N[N-]N=N1	REAL300020237980	0	35	-1.0	-52.88	319.46	1.96	-50.92
CSCC[C@H](NC(=O)NC1=CC=C[N+]([O-])=C1)C1=NN=N[N-]1	REAL300020237980	1	35	-1.0	-52.92	319.52	1.98	-50.94
O=C(NC1=CC=C[N+]([O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237981	0	38	-1.0	-51.06	303.89	3.08	-47.98
O=C(NC1=CC=C[N+]([O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237981	1	38	-1.0	-51.09	303.94	3.09	-48.00
CN(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C(F)(F)F)=C1	REAL300020237982	0	46	-1.0	-46.12	375.27	5.70	-40.42
CN(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C(F)(F)F)=C1	REAL300020237982	1	46	-1.0	-46.12	375.32	5.71	-40.41
CN(C)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020237983	0	43	-1.0	-51.49	359.01	4.83	-46.66
CN(C)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020237983	1	43	-1.0	-51.47	359.07	4.84	-46.63
CN(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020237984	0	43	-1.0	-45.87	359.62	4.86	-41.01
CN(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020237984	1	43	-1.0	-45.87	359.69	4.86	-41.01
CN(C)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020237985	0	49	-1.0	-40.96	388.01	5.87	-35.09
CN(C)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020237985	1	49	-1.0	-40.96	388.06	5.87	-35.09
O=C(NC1=CC=C(C2=NOC=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237986	0	41	-1.0	-45.00	357.57	5.76	-39.24
O=C(NC1=CC=C(C2=NOC=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237986	1	41	-1.0	-45.01	357.51	5.74	-39.27
O=C(NC1=CC=C(C2=NOC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237987	0	41	-1.0	-46.50	338.33	5.30	-41.20
O=C(NC1=CC=C(C2=NOC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237987	1	41	-1.0	-46.47	338.28	5.29	-41.18
O=C(NC1=CC=C(C2=NOC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020237988	0	38	-1.0	-55.82	322.90	4.38	-51.44
O=C(NC1=CC=C(C2=NOC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020237988	1	38	-1.0	-55.85	322.84	4.37	-51.48
CSCC[C@H](NC(=O)NC1=CC=C(C2=NOC=C2)C=C1)C1=NN=N[N-]1	REAL300020237989	0	41	-1.0	-55.91	366.44	4.35	-51.56
CSCC[C@H](NC(=O)NC1=CC=C(C2=NOC=C2)C=C1)C1=N[N-]N=N1	REAL300020237989	1	41	-1.0	-55.94	366.38	4.33	-51.61
O=C(NC1=CC=C(C2=NOC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237990	0	38	-1.0	-46.28	324.33	4.42	-41.86
O=C(NC1=CC=C(C2=NOC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237990	1	38	-1.0	-46.28	324.25	4.41	-41.87
O=C(NC1=CC=C(C2=NOC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237991	0	44	-1.0	-51.05	344.05	6.23	-44.82
O=C(NC1=CC=C(C2=NOC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237991	1	44	-1.0	-51.02	344.01	6.22	-44.80
O=C(NC1=CC=NN1C1=NC=CC=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237992	0	40	-1.0	-47.66	349.40	7.26	-40.40
O=C(NC1=CC=NN1C1=NC=CC=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237992	1	40	-1.0	-47.68	349.34	7.23	-40.45
O=C(NC1=CC=NN1C1=NC=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237993	0	40	-1.0	-49.37	330.21	6.78	-42.59
O=C(NC1=CC=NN1C1=NC=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237993	1	40	-1.0	-49.36	330.15	6.76	-42.60
O=C(NC1=CC=NN1C1=NC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020237994	0	37	-1.0	-59.68	314.77	5.87	-53.81
O=C(NC1=CC=NN1C1=NC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020237994	1	37	-1.0	-59.71	314.71	5.84	-53.87
CSCC[C@H](NC(=O)NC1=CC=NN1C1=NC=CC=N1)C1=NN=N[N-]1	REAL300020237995	0	40	-1.0	-52.28	358.38	5.83	-46.45
CSCC[C@H](NC(=O)NC1=CC=NN1C1=NC=CC=N1)C1=N[N-]N=N1	REAL300020237995	1	40	-1.0	-52.30	358.32	5.82	-46.48
O=C(NC1=CC=NN1C1=NC=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237996	0	37	-1.0	-49.05	316.25	5.91	-43.14
O=C(NC1=CC=NN1C1=NC=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237996	1	37	-1.0	-48.98	316.18	5.90	-43.08
O=C(NC1=CC=NN1C1=NC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237997	0	43	-1.0	-57.23	338.76	7.76	-49.47
O=C(NC1=CC=NN1C1=NC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237997	1	43	-1.0	-57.21	338.71	7.75	-49.46
CN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1I	REAL300020237998	0	32	-1.0	-52.78	296.26	2.05	-50.73
CN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1I	REAL300020237998	1	32	-1.0	-52.80	296.21	2.02	-50.78
CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1I	REAL300020237999	0	32	-1.0	-42.79	297.77	2.09	-40.70
CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1I	REAL300020237999	1	32	-1.0	-42.80	297.69	2.07	-40.73
CC(C)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N2C=CC=CC2=N1	REAL300020238000	0	47	-1.0	-43.76	388.24	7.96	-35.80
CC(C)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N2C=CC=CC2=N1	REAL300020238000	1	47	-1.0	-43.77	388.18	7.94	-35.83
CC(C)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N2C=CC=CC2=N1	REAL300020238001	0	47	-1.0	-45.90	371.18	7.52	-38.38
CC(C)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N2C=CC=CC2=N1	REAL300020238001	1	47	-1.0	-45.89	371.24	7.54	-38.35
CC(C)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL300020238002	0	44	-1.0	-54.24	353.66	6.57	-47.67
CC(C)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL300020238002	1	44	-1.0	-54.27	353.71	6.59	-47.68
CSCC[C@H](NC(=O)NC1=C(C(C)C)N=C2C=CC=CN21)C1=N[N-]N=N1	REAL300020238003	0	47	-1.0	-52.49	406.94	6.61	-45.88
CSCC[C@H](NC(=O)NC1=C(C(C)C)N=C2C=CC=CN21)C1=NN=N[N-]1	REAL300020238003	1	47	-1.0	-52.41	407.00	6.62	-45.79
CC(C)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N2C=CC=CC2=N1	REAL300020238004	0	44	-1.0	-45.08	355.00	6.64	-38.44
CC(C)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N2C=CC=CC2=N1	REAL300020238004	1	44	-1.0	-45.08	355.08	6.65	-38.43
CC(C)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N2C=CC=CC2=N1	REAL300020238005	0	50	-1.0	-46.32	383.10	7.22	-39.10
CC(C)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N2C=CC=CC2=N1	REAL300020238005	1	50	-1.0	-46.34	383.20	7.25	-39.09
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC2=CC=CC=C21	REAL300020238006	0	45	-1.0	-46.87	377.32	6.44	-40.43
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC2=CC=CC=C21	REAL300020238006	1	45	-1.0	-46.88	377.26	6.42	-40.46
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC2=CC=CC=C21	REAL300020238007	0	45	-1.0	-45.54	358.55	5.93	-39.61
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC2=CC=CC=C21	REAL300020238007	1	45	-1.0	-45.55	358.61	5.95	-39.60
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020238008	0	42	-1.0	-58.15	342.94	5.02	-53.13
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020238008	1	42	-1.0	-58.20	343.00	5.04	-53.16
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020238009	0	45	-1.0	-51.18	386.79	4.95	-46.23
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020238009	1	45	-1.0	-51.16	386.85	4.96	-46.20
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=CC=CC=C21	REAL300020238010	0	42	-1.0	-46.12	344.34	5.06	-41.06
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C21	REAL300020238010	1	42	-1.0	-46.14	344.41	5.08	-41.06
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020238011	0	48	-1.0	-43.95	370.88	6.05	-37.90
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020238011	1	48	-1.0	-43.99	370.92	6.06	-37.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2=NOC=C2)=C1	REAL300020238012	0	41	-1.0	-68.01	357.73	5.72	-62.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2=NOC=C2)=C1	REAL300020238012	1	41	-1.0	-68.01	357.67	5.70	-62.31
O=C(NC1=CC=CC(C2=NOC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238013	0	41	-1.0	-53.37	338.37	5.30	-48.07
O=C(NC1=CC=CC(C2=NOC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238013	1	41	-1.0	-53.32	338.32	5.29	-48.03
O=C(NC1=CC=CC(C2=NOC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238014	0	38	-1.0	-71.28	322.98	4.38	-66.90
O=C(NC1=CC=CC(C2=NOC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238014	1	38	-1.0	-71.30	322.92	4.36	-66.94
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NOC=C2)=C1)C1=NN=N[N-]1	REAL300020238015	0	41	-1.0	-57.31	366.83	4.31	-53.00
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NOC=C2)=C1)C1=N[N-]N=N1	REAL300020238015	1	41	-1.0	-57.31	366.78	4.29	-53.02
O=C(NC1=CC=CC(C2=NOC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238016	0	38	-1.0	-56.16	324.68	4.40	-51.76
O=C(NC1=CC=CC(C2=NOC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238016	1	38	-1.0	-56.15	324.61	4.39	-51.76
O=C(NC1=CC=CC(C2=NOC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238017	0	44	-1.0	-50.89	353.02	5.47	-45.42
O=C(NC1=CC=CC(C2=NOC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238017	1	44	-1.0	-50.89	352.97	5.44	-45.45
C=CCN1C=C2C=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC2=N1	REAL300020238018	0	45	-1.0	-49.15	386.13	6.27	-42.88
C=CCN1C=C2C=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=N1	REAL300020238018	1	45	-1.0	-49.14	386.08	6.25	-42.89
C=CCN1C=C2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC2=N1	REAL300020238019	0	45	-1.0	-49.50	367.26	5.75	-43.75
C=CCN1C=C2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC2=N1	REAL300020238019	1	45	-1.0	-49.46	367.20	5.73	-43.73
C=CCN1C=C2C=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC2=N1	REAL300020238020	0	42	-1.0	-58.35	351.81	4.86	-53.49
C=CCN1C=C2C=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC2=N1	REAL300020238020	1	42	-1.0	-58.38	351.76	4.84	-53.54
C=CCN1C=C2C=CC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC2=N1	REAL300020238021	0	45	-1.0	-52.73	395.71	4.77	-47.96
C=CCN1C=C2C=CC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC2=N1	REAL300020238021	1	45	-1.0	-52.71	395.65	4.75	-47.96
C=CCN1C=C2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=N1	REAL300020238022	0	42	-1.0	-48.59	353.23	4.91	-43.68
C=CCN1C=C2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=N1	REAL300020238022	1	42	-1.0	-48.61	353.16	4.89	-43.72
C=CCN1C=C2C=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=N1	REAL300020238023	0	48	-1.0	-51.81	381.79	5.94	-45.87
C=CCN1C=C2C=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=N1	REAL300020238023	1	48	-1.0	-51.77	381.74	5.92	-45.85
COC(=O)C1=CC2=CC=CN=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238024	0	46	-1.0	-53.43	377.73	5.55	-47.88
COC(=O)C1=CC2=CC=CN=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238024	1	46	-1.0	-53.41	377.68	5.53	-47.88
COC(=O)C1=CC2=CC=CN=C2C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238025	0	43	-1.0	-66.03	362.88	4.60	-61.43
COC(=O)C1=CC2=CC=CN=C2C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238025	1	43	-1.0	-66.00	362.83	4.58	-61.42
COC(=O)C1=CC2=CC=CN=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238026	0	43	-1.0	-54.14	365.07	4.63	-49.51
COC(=O)C1=CC2=CC=CN=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238026	1	43	-1.0	-54.14	365.00	4.61	-49.53
COC(=O)C1=CC2=CC=CN=C2C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238027	0	49	-1.0	-62.39	386.73	6.49	-55.90
COC(=O)C1=CC2=CC=CN=C2C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238027	1	49	-1.0	-62.36	386.67	6.49	-55.87
O=C(NC1=CC=NN1C1CCOC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238028	0	43	-1.0	-42.59	359.21	3.82	-38.77
O=C(NC1=CC=NN1C1CCOC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238028	1	43	-1.0	-42.60	359.15	3.80	-38.80
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O=C(NC1=CC=NN1C1CCOC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238029	1	43	-1.0	-44.01	339.97	3.33	-40.68
O=C(NC1=CC=NN1C1CCOC1)N1CCCC1C1=NN=N[N-]1	REAL300020238030	0	40	-1.0	-52.85	324.57	2.44	-50.41
O=C(NC1=CC=NN1C1CCOC1)N1CCCC1C1=N[N-]N=N1	REAL300020238030	1	40	-1.0	-52.82	324.51	2.42	-50.40
CSCC[C@H](NC(=O)NC1=CC=NN1C1CCOC1)C1=NN=N[N-]1	REAL300020238031	0	43	-1.0	-49.36	368.73	2.40	-46.96
CSCC[C@H](NC(=O)NC1=CC=NN1C1CCOC1)C1=N[N-]N=N1	REAL300020238031	1	43	-1.0	-49.37	368.67	2.39	-46.98
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O=C(NC1=CC=NN1C1CCOC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238032	1	40	-1.0	-43.89	325.99	2.47	-41.42
O=C(NC1=CC=NN1C1CCOC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238033	0	46	-1.0	-49.28	347.99	4.21	-45.07
O=C(NC1=CC=NN1C1CCOC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238033	1	46	-1.0	-49.27	347.95	4.21	-45.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(F)C(Cl)=C1	REAL300020238034	0	34	-1.0	-53.20	320.63	3.45	-49.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(F)C(Cl)=C1	REAL300020238034	1	34	-1.0	-53.19	320.57	3.42	-49.77
O=C(NC1=CN=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238035	0	34	-1.0	-43.16	301.89	2.96	-40.20
O=C(NC1=CN=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238035	1	34	-1.0	-43.18	301.83	2.94	-40.24
O=C(NC1=CN=C(F)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238036	0	31	-1.0	-50.10	286.38	2.05	-48.05
O=C(NC1=CN=C(F)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238036	1	31	-1.0	-50.05	286.32	2.03	-48.02
CSCC[C@H](NC(=O)NC1=CN=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020238037	0	34	-1.0	-44.36	329.67	2.03	-42.33
CSCC[C@H](NC(=O)NC1=CN=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020238037	1	34	-1.0	-44.41	329.61	2.02	-42.39
O=C(NC1=CN=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238038	0	31	-1.0	-43.18	287.49	2.12	-41.06
O=C(NC1=CN=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238038	1	31	-1.0	-43.18	287.42	2.10	-41.08
O=C(NC1=CN=C(F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238039	0	37	-1.0	-46.64	309.64	3.84	-42.80
O=C(NC1=CN=C(F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238039	1	37	-1.0	-46.63	309.59	3.83	-42.80
COC1=CC(Cl)=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238040	0	39	-1.0	-54.24	353.27	4.78	-49.46
COC1=CC(Cl)=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238040	1	39	-1.0	-54.22	353.22	4.76	-49.46
COC1=CC(Cl)=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238041	0	39	-1.0	-43.52	334.09	4.30	-39.22
COC1=CC(Cl)=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238041	1	39	-1.0	-43.54	334.14	4.32	-39.22
COC1=CC(Cl)=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238042	0	36	-1.0	-54.41	319.88	3.36	-51.05
COC1=CC(Cl)=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238042	1	36	-1.0	-54.42	319.94	3.39	-51.03
COC1=CC(Cl)=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020238043	0	39	-1.0	-47.53	362.60	3.31	-44.22
COC1=CC(Cl)=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020238043	1	39	-1.0	-47.55	362.66	3.33	-44.22
COC1=CC(Cl)=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238044	0	36	-1.0	-43.48	320.43	3.42	-40.06
COC1=CC(Cl)=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238044	1	36	-1.0	-43.50	320.51	3.42	-40.08
COC1=CC(Cl)=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238045	0	42	-1.0	-48.93	343.06	5.14	-43.79
COC1=CC(Cl)=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238045	1	42	-1.0	-48.94	343.12	5.14	-43.80
COC(=O)C1=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C	REAL300020238046	0	43	-1.0	-53.52	370.76	5.66	-47.86
COC(=O)C1=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C	REAL300020238046	1	43	-1.0	-53.51	370.71	5.64	-47.87
COC(=O)C1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C	REAL300020238047	0	43	-1.0	-43.00	349.20	4.50	-38.50
COC(=O)C1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C	REAL300020238047	1	43	-1.0	-42.98	349.14	4.49	-38.49
COC(=O)C1=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020238048	0	40	-1.0	-64.06	336.45	4.22	-59.84
COC(=O)C1=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020238048	1	40	-1.0	-64.03	336.39	4.20	-59.83
COC(=O)C1=NC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1C	REAL300020238049	0	43	-1.0	-56.86	380.13	4.20	-52.66
COC(=O)C1=NC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1C	REAL300020238049	1	43	-1.0	-56.85	380.08	4.19	-52.66
COC(=O)C1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020238050	0	40	-1.0	-53.91	337.99	4.30	-49.61
COC(=O)C1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020238050	1	40	-1.0	-53.94	337.91	4.28	-49.66
COC(=O)C1=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020238051	0	46	-1.0	-58.78	360.48	6.01	-52.77
COC(=O)C1=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020238051	1	46	-1.0	-58.83	360.43	6.01	-52.82
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1OCC1=CC=CC=C1	REAL300020238052	0	52	-1.0	-44.09	418.82	8.55	-35.54
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1OCC1=CC=CC=C1	REAL300020238052	1	52	-1.0	-44.13	418.87	8.56	-35.57
CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1OCC1=CC=CC=C1	REAL300020238053	0	49	-1.0	-54.87	403.05	7.67	-47.20
CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1OCC1=CC=CC=C1	REAL300020238053	1	49	-1.0	-54.85	403.11	7.68	-47.17
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OCC1=CC=CC=C1	REAL300020238054	0	49	-1.0	-43.63	402.10	7.60	-36.03
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OCC1=CC=CC=C1	REAL300020238054	1	49	-1.0	-43.61	402.17	7.62	-35.99
CCC(=O)N1CCC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020238055	0	49	-1.0	-51.06	403.70	6.78	-44.28
CCC(=O)N1CCC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020238055	1	49	-1.0	-51.03	403.64	6.75	-44.28
CCC(=O)N1CCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020238056	0	49	-1.0	-50.52	384.64	6.24	-44.28
CCC(=O)N1CCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020238056	1	49	-1.0	-50.57	384.70	6.26	-44.31
CCC(=O)N1CCC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020238057	0	46	-1.0	-61.75	369.61	5.30	-56.45
CCC(=O)N1CCC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020238057	1	46	-1.0	-61.77	369.67	5.32	-56.45
CCC(=O)N1CCC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C21	REAL300020238058	0	49	-1.0	-54.04	412.86	5.30	-48.74
CCC(=O)N1CCC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C21	REAL300020238058	1	49	-1.0	-54.00	412.92	5.31	-48.69
CCC(=O)N1CCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020238059	0	46	-1.0	-50.63	370.98	5.36	-45.27
CCC(=O)N1CCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020238059	1	46	-1.0	-50.64	371.05	5.36	-45.28
CCC(=O)N1CCC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020238060	0	52	-1.0	-57.65	399.38	6.41	-51.24
CCC(=O)N1CCC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020238060	1	52	-1.0	-57.64	399.43	6.44	-51.20
NC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300020238061	0	41	-1.0	-51.92	364.49	2.95	-48.97
NC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300020238061	1	41	-1.0	-51.94	364.43	2.93	-49.01
NC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300020238062	0	41	-1.0	-51.03	345.58	2.44	-48.59
NC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300020238062	1	41	-1.0	-51.03	345.64	2.45	-48.58
NC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020238063	0	38	-1.0	-60.45	330.02	1.55	-58.90
NC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020238063	1	38	-1.0	-60.45	330.08	1.56	-58.89
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020238064	0	41	-1.0	-54.50	373.56	1.52	-52.98
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020238064	1	41	-1.0	-54.51	373.62	1.53	-52.98
NC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020238065	0	38	-1.0	-49.86	331.40	1.60	-48.26
NC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020238065	1	38	-1.0	-49.89	331.47	1.61	-48.28
NC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020238066	0	44	-1.0	-42.05	353.11	2.82	-39.23
NC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020238066	1	44	-1.0	-42.13	353.14	2.83	-39.30
O=C(NC1=CN(C2CCC2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238067	0	42	-1.0	-45.26	350.69	4.52	-40.74
O=C(NC1=CN(C2CCC2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238067	1	42	-1.0	-45.27	350.63	4.50	-40.77
O=C(NC1=CN(C2CCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238068	0	42	-1.0	-47.06	331.54	4.06	-43.00
O=C(NC1=CN(C2CCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238068	1	42	-1.0	-47.04	331.49	4.04	-43.00
O=C(NC1=CN(C2CCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238069	0	39	-1.0	-58.42	316.06	3.15	-55.27
O=C(NC1=CN(C2CCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238069	1	39	-1.0	-58.38	316.00	3.13	-55.25
CSCC[C@H](NC(=O)NC1=CN(C2CCC2)N=C1)C1=NN=N[N-]1	REAL300020238070	0	42	-1.0	-50.94	359.67	3.11	-47.83
CSCC[C@H](NC(=O)NC1=CN(C2CCC2)N=C1)C1=N[N-]N=N1	REAL300020238070	1	42	-1.0	-50.91	359.61	3.09	-47.82
O=C(NC1=CN(C2CCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238071	0	39	-1.0	-47.64	317.55	3.18	-44.46
O=C(NC1=CN(C2CCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238071	1	39	-1.0	-47.62	317.47	3.17	-44.45
O=C(NC1=CN(C2CCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238072	0	45	-1.0	-54.70	339.47	4.94	-49.76
O=C(NC1=CN(C2CCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238072	1	45	-1.0	-54.69	339.44	4.93	-49.76
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(Cl)=N1	REAL300020238073	0	37	-1.0	-42.75	336.26	4.13	-38.62
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(Cl)=N1	REAL300020238073	1	37	-1.0	-42.75	336.20	4.10	-38.65
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(Cl)=N1	REAL300020238074	0	37	-1.0	-45.43	317.43	3.56	-41.87
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(Cl)=N1	REAL300020238074	1	37	-1.0	-45.44	317.49	3.57	-41.87
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(Cl)=N1	REAL300020238075	0	34	-1.0	-50.60	301.97	2.64	-47.96
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(Cl)=N1	REAL300020238075	1	34	-1.0	-50.61	302.03	2.67	-47.94
CSCC[C@H](NC(=O)NC1=CC(C)=NC(Cl)=C1)C1=N[N-]N=N1	REAL300020238076	0	37	-1.0	-46.92	345.42	2.63	-44.29
CSCC[C@H](NC(=O)NC1=CC(C)=NC(Cl)=C1)C1=NN=N[N-]1	REAL300020238076	1	37	-1.0	-46.89	345.48	2.64	-44.25
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=N1	REAL300020238077	0	34	-1.0	-45.53	303.31	2.72	-42.81
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=N1	REAL300020238077	1	34	-1.0	-45.59	303.39	2.74	-42.85
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Cl)=N1	REAL300020238078	0	40	-1.0	-38.71	330.27	3.72	-34.99
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Cl)=N1	REAL300020238078	1	40	-1.0	-38.72	330.15	3.74	-34.98
CC(C)(C)OC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238079	0	48	-1.0	-60.44	384.01	5.91	-54.53
CC(C)(C)OC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238079	1	48	-1.0	-60.44	383.95	5.88	-54.56
CC(C)(C)OC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238080	0	48	-1.0	-43.72	364.53	5.42	-38.30
CC(C)(C)OC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238080	1	48	-1.0	-43.77	364.58	5.43	-38.34
CC(C)(C)OC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238081	0	45	-1.0	-62.76	349.41	4.56	-58.20
CC(C)(C)OC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238081	1	45	-1.0	-62.79	349.47	4.58	-58.21
CSCC[C@H](NC(=O)NC1=CC=CC(OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020238082	0	48	-1.0	-47.08	393.17	4.48	-42.60
CSCC[C@H](NC(=O)NC1=CC=CC(OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020238082	1	48	-1.0	-47.12	393.23	4.50	-42.62
CC(C)(C)OC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238083	0	45	-1.0	-48.66	350.76	4.62	-44.04
CC(C)(C)OC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238083	1	45	-1.0	-48.71	350.84	4.62	-44.09
CC(C)(C)OC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238084	0	51	-1.0	-50.10	373.51	6.30	-43.80
CC(C)(C)OC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238084	1	51	-1.0	-50.08	373.56	6.32	-43.76
CC1=C(Br)C=NC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238085	0	37	-1.0	-54.02	335.01	4.33	-49.69
CC1=C(Br)C=NC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238085	1	37	-1.0	-53.99	335.07	4.35	-49.64
CC1=C(Br)C=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238086	0	37	-1.0	-42.67	313.91	3.81	-38.86
CC1=C(Br)C=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238086	1	37	-1.0	-42.67	313.97	3.83	-38.84
CC1=C(Br)C=NC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238087	0	34	-1.0	-51.79	299.86	2.94	-48.85
CC1=C(Br)C=NC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238087	1	34	-1.0	-51.79	299.92	2.96	-48.83
CSCC[C@H](NC(=O)NC1=CN=CC(Br)=C1C)C1=N[N-]N=N1	REAL300020238088	0	37	-1.0	-45.17	344.32	2.93	-42.24
CSCC[C@H](NC(=O)NC1=CN=CC(Br)=C1C)C1=NN=N[N-]1	REAL300020238088	1	37	-1.0	-45.14	344.38	2.95	-42.19
CC1=C(Br)C=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238089	0	34	-1.0	-43.25	301.19	2.99	-40.26
CC1=C(Br)C=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238089	1	34	-1.0	-43.26	301.26	3.00	-40.26
CC1=C(Br)C=NC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238090	0	40	-1.0	-38.37	329.71	3.97	-34.40
CC1=C(Br)C=NC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238090	1	40	-1.0	-38.39	329.76	3.99	-34.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(OC(F)(F)F)=N1	REAL300020238091	0	38	-1.0	-48.52	349.22	4.17	-44.35
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(OC(F)(F)F)=N1	REAL300020238091	1	38	-1.0	-48.51	349.16	4.15	-44.36
O=C(NC1=CC=CC(OC(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238092	0	38	-1.0	-42.67	327.51	2.78	-39.89
O=C(NC1=CC=CC(OC(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238092	1	38	-1.0	-42.63	327.46	2.77	-39.86
O=C(NC1=CC=CC(OC(F)(F)F)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020238093	0	35	-1.0	-62.84	314.70	2.79	-60.05
O=C(NC1=CC=CC(OC(F)(F)F)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020238093	1	35	-1.0	-62.85	314.65	2.76	-60.09
CSCC[C@H](NC(=O)NC1=CC=CC(OC(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020238094	0	38	-1.0	-55.09	358.19	2.75	-52.34
CSCC[C@H](NC(=O)NC1=CC=CC(OC(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020238094	1	38	-1.0	-55.07	358.13	2.73	-52.34
O=C(NC1=CC=CC(OC(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238095	0	35	-1.0	-51.91	316.04	2.84	-49.07
O=C(NC1=CC=CC(OC(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238095	1	35	-1.0	-51.90	315.96	2.83	-49.07
O=C(NC1=CC=CC(OC(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238096	0	41	-1.0	-55.93	333.34	4.70	-51.23
O=C(NC1=CC=CC(OC(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238096	1	41	-1.0	-55.89	333.29	4.70	-51.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300020238097	0	50	0.0	-59.44	394.61	5.78	-53.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC(N2CCCCC2)=C1	REAL300020238097	1	49	-1.0	-51.73	393.56	5.49	-46.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC(N2CCCCC2)=C1	REAL300020238097	1	49	-1.0	-51.75	393.62	5.52	-46.23
O=C(NC1=CC=[NH+]C(N2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238098	0	50	0.0	-54.43	375.44	5.32	-49.11
O=C(NC1=CC=NC(N2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238098	1	49	-1.0	-42.61	374.59	4.99	-37.62
O=C(NC1=CC=NC(N2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238098	1	49	-1.0	-42.60	374.65	5.01	-37.59
O=C(NC1=CC=[NH+]C(N2CCCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238099	0	47	0.0	-59.23	360.37	4.37	-54.86
O=C(NC1=CC=NC(N2CCCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238099	1	46	-1.0	-55.62	359.49	4.06	-51.56
O=C(NC1=CC=NC(N2CCCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238099	1	46	-1.0	-55.60	359.55	4.08	-51.52
CSCC[C@H](NC(=O)NC1=CC=NC(N2CCCCC2)=C1)C1=N[N-]N=N1	REAL300020238100	0	49	-1.0	-46.81	403.01	4.01	-42.80
CSCC[C@H](NC(=O)NC1=CC=NC(N2CCCCC2)=C1)C1=NN=N[N-]1	REAL300020238100	1	49	-1.0	-46.78	403.06	4.03	-42.75
O=C(NC1=CC=[NH+]C(N2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238101	0	47	0.0	-59.46	361.75	4.42	-55.04
O=C(NC1=CC=NC(N2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238101	1	46	-1.0	-46.05	360.62	4.13	-41.92
O=C(NC1=CC=NC(N2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238101	1	46	-1.0	-46.03	360.70	4.14	-41.89
O=C(NC1=CC=[NH+]C(N2CCCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238102	0	53	0.0	-33.36	388.45	5.44	-27.92
O=C(NC1=CC=NC(N2CCCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238102	1	52	-1.0	-52.27	383.03	5.88	-46.39
O=C(NC1=CC=NC(N2CCCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238102	1	52	-1.0	-52.27	383.09	5.88	-46.39
COC(=O)C1=CC(C)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238103	0	44	-1.0	-45.28	379.52	6.09	-39.19
COC(=O)C1=CC(C)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238103	1	44	-1.0	-45.24	379.46	6.06	-39.18
COC(=O)C1=CC(C)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238104	0	44	-1.0	-47.29	360.39	5.59	-41.70
COC(=O)C1=CC(C)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238104	1	44	-1.0	-47.32	360.45	5.60	-41.72
COC(=O)C1=CC(C)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238105	0	41	-1.0	-58.40	344.68	4.72	-53.68
COC(=O)C1=CC(C)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238105	1	41	-1.0	-58.41	344.74	4.74	-53.67
COC(=O)C1=CC(C)=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020238106	0	44	-1.0	-51.22	388.22	4.68	-46.54
COC(=O)C1=CC(C)=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020238106	1	44	-1.0	-51.20	388.28	4.70	-46.50
COC(=O)C1=CC(C)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238107	0	41	-1.0	-47.27	346.10	4.78	-42.49
COC(=O)C1=CC(C)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238107	1	41	-1.0	-47.24	346.17	4.78	-42.46
COC(=O)C1=CC(C)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238108	0	47	-1.0	-42.08	372.67	5.76	-36.32
COC(=O)C1=CC(C)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238108	1	47	-1.0	-42.09	372.71	5.77	-36.32
COC(=O)CN1N=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020238109	0	47	-1.0	-49.61	388.55	5.40	-44.21
COC(=O)CN1N=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020238109	1	47	-1.0	-49.59	388.49	5.39	-44.20
COC(=O)CN1N=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020238110	0	44	-1.0	-63.34	374.19	4.48	-58.86
COC(=O)CN1N=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020238110	1	44	-1.0	-63.40	374.13	4.46	-58.94
COC(=O)CN1N=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020238111	0	44	-1.0	-51.71	375.60	4.51	-47.20
COC(=O)CN1N=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020238111	1	44	-1.0	-51.69	375.52	4.51	-47.18
COC(=O)CN1N=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020238112	0	50	-1.0	-50.36	402.16	5.50	-44.86
COC(=O)CN1N=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020238112	1	50	-1.0	-46.46	402.10	5.49	-40.97
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020238113	0	41	-1.0	-56.13	362.05	5.50	-50.63
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020238113	1	41	-1.0	-56.12	362.00	5.48	-50.64
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020238114	0	41	-1.0	-50.31	343.01	4.98	-45.33
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020238114	1	41	-1.0	-50.27	343.07	5.00	-45.27
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020238115	0	38	-1.0	-58.58	328.04	4.05	-54.53
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020238115	1	38	-1.0	-58.56	328.09	4.06	-54.50
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020238116	0	41	-1.0	-51.40	371.55	4.00	-47.40
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020238116	1	41	-1.0	-51.39	371.61	4.02	-47.37
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020238117	0	38	-1.0	-50.66	329.40	4.10	-46.56
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020238117	1	38	-1.0	-50.68	329.48	4.11	-46.57
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020238118	0	44	-1.0	-41.61	357.70	5.17	-36.44
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020238118	1	44	-1.0	-41.66	357.75	5.18	-36.48
C=CCN1N=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020238119	0	45	-1.0	-45.81	386.87	6.24	-39.57
C=CCN1N=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020238119	1	45	-1.0	-45.82	386.81	6.22	-39.60
C=CCN1N=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020238120	0	45	-1.0	-45.28	368.17	5.71	-39.57
C=CCN1N=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020238120	1	45	-1.0	-45.23	368.11	5.69	-39.54
C=CCN1N=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020238121	0	42	-1.0	-59.79	352.57	4.82	-54.97
C=CCN1N=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020238121	1	42	-1.0	-59.80	352.51	4.80	-55.00
C=CCN1N=CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C21	REAL300020238122	0	45	-1.0	-48.67	396.40	4.75	-43.92
C=CCN1N=CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C21	REAL300020238122	1	45	-1.0	-48.63	396.34	4.74	-43.89
C=CCN1N=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020238123	0	42	-1.0	-47.70	353.97	4.86	-42.84
C=CCN1N=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020238123	1	42	-1.0	-47.69	353.90	4.85	-42.84
C=CCN1N=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020238124	0	48	-1.0	-42.47	380.55	5.84	-36.63
C=CCN1N=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020238124	1	48	-1.0	-43.27	380.47	5.83	-37.44
O=C(NC1=CC=C(C(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238125	0	38	-1.0	-55.44	335.48	5.62	-49.82
O=C(NC1=CC=C(C(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238125	1	38	-1.0	-55.42	335.42	5.60	-49.82
O=C(NC1=CC=C(C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238126	0	38	-1.0	-43.45	318.07	5.23	-38.22
O=C(NC1=CC=C(C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238126	1	38	-1.0	-43.51	318.12	5.24	-38.27
O=C(NC1=CC=C(C(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238127	0	35	-1.0	-53.98	300.91	4.24	-49.74
O=C(NC1=CC=C(C(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238127	1	35	-1.0	-53.94	300.97	4.26	-49.68
CSCC[C@H](NC(=O)NC1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL300020238128	0	38	-1.0	-52.45	346.44	4.25	-48.20
CSCC[C@H](NC(=O)NC1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL300020238128	1	38	-1.0	-52.46	346.50	4.26	-48.20
O=C(NC1=CC=C(C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238129	0	35	-1.0	-47.41	304.03	4.37	-43.04
O=C(NC1=CC=C(C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238129	1	35	-1.0	-47.42	304.10	4.38	-43.04
O=C(NC1=CC=C(C(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238130	0	41	-1.0	-48.00	326.20	6.12	-41.88
O=C(NC1=CC=C(C(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238130	1	41	-1.0	-47.97	326.25	6.13	-41.84
COCCOCCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238131	0	53	-1.0	-47.27	423.37	4.16	-43.11
COCCOCCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238131	1	53	-1.0	-47.29	423.42	4.18	-43.11
COCCOCCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238132	0	50	-1.0	-65.95	408.96	3.22	-62.73
COCCOCCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238132	1	50	-1.0	-65.97	409.02	3.23	-62.74
COCCOCCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238133	0	50	-1.0	-53.05	410.61	3.24	-49.81
COCCOCCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238133	1	50	-1.0	-53.07	410.68	3.26	-49.81
CC1CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2O1	REAL300020238134	0	43	-1.0	-42.96	359.78	5.40	-37.56
CC1CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2O1	REAL300020238134	1	43	-1.0	-42.93	359.72	5.38	-37.55
CC1CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020238135	0	43	-1.0	-45.53	341.11	4.86	-40.67
CC1CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020238135	1	43	-1.0	-45.52	341.16	4.88	-40.64
CC1CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020238136	0	40	-1.0	-54.27	325.68	3.94	-50.33
CC1CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020238136	1	40	-1.0	-54.26	325.74	3.96	-50.30
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)CC2=C1)C1=N[N-]N=N1	REAL300020238137	0	43	-1.0	-47.35	368.95	3.92	-43.43
CSCC[C@H](NC(=O)NC1=CC=C2OC(C)CC2=C1)C1=NN=N[N-]1	REAL300020238137	1	43	-1.0	-47.39	369.01	3.94	-43.45
CC1CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020238138	0	40	-1.0	-45.06	327.06	4.01	-41.05
CC1CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020238138	1	40	-1.0	-45.10	327.13	4.03	-41.07
CC1CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020238139	0	46	-1.0	-42.14	355.81	5.06	-37.08
CC1CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020238139	1	46	-1.0	-42.12	355.85	5.07	-37.05
CC1=NOC(CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=N1	REAL300020238140	0	46	-1.0	-45.77	397.63	4.78	-40.99
CC1=NOC(CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)=N1	REAL300020238140	1	46	-1.0	-45.77	397.68	4.80	-40.97
CC1=NOC(CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300020238141	0	46	-1.0	-47.85	378.64	4.33	-43.52
CC1=NOC(CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300020238141	1	46	-1.0	-47.91	378.69	4.34	-43.57
CC1=NOC(CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020238142	0	43	-1.0	-58.97	362.92	3.43	-55.54
CC1=NOC(CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020238142	1	43	-1.0	-58.97	362.98	3.44	-55.53
CSCC[C@H](NC(=O)NC1=CC=C(CC2=NC(C)=NO2)C=C1)C1=N[N-]N=N1	REAL300020238143	0	46	-1.0	-52.37	406.66	3.37	-49.00
CSCC[C@H](NC(=O)NC1=CC=C(CC2=NC(C)=NO2)C=C1)C1=NN=N[N-]1	REAL300020238143	1	46	-1.0	-52.37	406.71	3.39	-48.98
CC1=NOC(CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020238144	0	43	-1.0	-47.42	364.52	3.46	-43.96
CC1=NOC(CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020238144	1	43	-1.0	-47.42	364.59	3.47	-43.95
CC1=NOC(CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=N1	REAL300020238145	0	49	-1.0	-55.27	386.42	5.25	-50.02
CC1=NOC(CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=N1	REAL300020238145	1	49	-1.0	-55.20	386.47	5.25	-49.95
CC1=CC=CC=C1OC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238146	0	49	-1.0	-44.64	387.66	7.65	-36.99
CC1=CC=CC=C1OC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238146	1	49	-1.0	-44.69	387.72	7.67	-37.02
CC1=CC=CC=C1OC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238147	0	46	-1.0	-59.50	376.06	6.86	-52.64
CC1=CC=CC=C1OC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238147	1	46	-1.0	-59.51	376.11	6.87	-52.64
CSCC[C@H](NC(=O)NC1=CC=CC(OC2=CC=CC=C2C)=C1)C1=N[N-]N=N1	REAL300020238148	0	49	-1.0	-54.74	419.68	6.82	-47.92
CSCC[C@H](NC(=O)NC1=CC=CC(OC2=CC=CC=C2C)=C1)C1=NN=N[N-]1	REAL300020238148	1	49	-1.0	-54.78	419.74	6.84	-47.94
CC1=CC=CC=C1OC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238149	0	46	-1.0	-49.89	378.26	6.97	-42.92
CC1=CC=CC=C1OC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238149	1	46	-1.0	-49.93	378.33	6.99	-42.94
CC1=CC=CC=C1OC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238150	0	52	-1.0	-46.00	407.89	8.00	-38.00
CC1=CC=CC=C1OC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238150	1	52	-1.0	-46.02	407.95	8.00	-38.02
CC(C)(C)OCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238151	0	51	-1.0	-53.32	414.39	6.63	-46.69
CC(C)(C)OCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238151	1	51	-1.0	-53.30	414.33	6.60	-46.70
CC(C)(C)OCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238152	0	51	-1.0	-47.38	395.42	6.13	-41.25
CC(C)(C)OCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238152	1	51	-1.0	-47.37	395.47	6.14	-41.23
CC(C)(C)OCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238153	0	48	-1.0	-52.81	380.03	5.20	-47.61
CC(C)(C)OCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238153	1	48	-1.0	-52.85	380.09	5.21	-47.64
CSCC[C@H](NC(=O)NC1=CC=CC(COC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020238154	0	51	-1.0	-46.35	423.26	5.20	-41.15
CSCC[C@H](NC(=O)NC1=CC=CC(COC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020238154	1	51	-1.0	-46.33	423.32	5.21	-41.12
CC(C)(C)OCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238155	0	48	-1.0	-43.69	381.08	5.27	-38.42
CC(C)(C)OCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238155	1	48	-1.0	-43.75	381.15	5.29	-38.46
CC(C)(C)OCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238156	0	54	-1.0	-48.87	403.38	7.01	-41.86
CC(C)(C)OCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238156	1	54	-1.0	-48.88	403.43	7.02	-41.86
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N1CCOCC1=O	REAL300020238157	0	50	-1.0	-51.82	396.16	4.80	-47.02
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N1CCOCC1=O	REAL300020238157	1	50	-1.0	-51.83	396.22	4.82	-47.01
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N1CCOCC1=O	REAL300020238158	0	47	-1.0	-64.10	380.64	3.89	-60.21
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N1CCOCC1=O	REAL300020238158	1	47	-1.0	-64.09	380.70	3.90	-60.19
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1CCOCC1=O	REAL300020238159	0	47	-1.0	-52.28	381.99	3.93	-48.35
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCOCC1=O	REAL300020238159	1	47	-1.0	-52.29	382.06	3.95	-48.34
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1CCOCC1=O	REAL300020238160	0	53	-1.0	-50.57	410.69	4.96	-45.61
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1CCOCC1=O	REAL300020238160	1	53	-1.0	-50.57	410.73	4.98	-45.59
CC1CCN(C2=CC=C(F)C=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020238161	0	53	-1.0	-43.88	400.57	7.11	-36.77
CC1CCN(C2=CC=C(F)C=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020238161	1	53	-1.0	-43.93	400.63	7.12	-36.81
CC1CCN(C2=CC=C(F)C=C2NC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300020238162	0	50	-1.0	-53.67	385.08	6.15	-47.52
CC1CCN(C2=CC=C(F)C=C2NC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300020238162	1	50	-1.0	-53.67	385.14	6.17	-47.50
CC1CCN(C2=CC=C(F)C=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020238163	0	50	-1.0	-43.79	386.47	6.21	-37.58
CC1CCN(C2=CC=C(F)C=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020238163	1	50	-1.0	-43.79	386.55	6.23	-37.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1S(=O)(=O)C1CC1	REAL300020238164	0	45	-1.0	-52.49	387.03	4.54	-47.95
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1S(=O)(=O)C1CC1	REAL300020238164	1	45	-1.0	-52.46	386.97	4.52	-47.94
O=C(NC1=CC=CC=C1S(=O)(=O)C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238165	0	45	-1.0	-50.69	367.50	4.02	-46.67
O=C(NC1=CC=CC=C1S(=O)(=O)C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238165	1	45	-1.0	-50.68	367.56	4.04	-46.64
O=C(NC1=CC=CC=C1S(=O)(=O)C1CC1)N1CCCC1C1=N[N-]N=N1	REAL300020238166	0	42	-1.0	-57.76	353.29	3.14	-54.62
O=C(NC1=CC=CC=C1S(=O)(=O)C1CC1)N1CCCC1C1=NN=N[N-]1	REAL300020238166	1	42	-1.0	-57.78	353.35	3.16	-54.62
CSCC[C@H](NC(=O)NC1=CC=CC=C1S(=O)(=O)C1CC1)C1=N[N-]N=N1	REAL300020238167	0	45	-1.0	-49.72	396.21	3.07	-46.65
CSCC[C@H](NC(=O)NC1=CC=CC=C1S(=O)(=O)C1CC1)C1=NN=N[N-]1	REAL300020238167	1	45	-1.0	-49.68	396.27	3.08	-46.60
O=C(NC1=CC=CC=C1S(=O)(=O)C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238168	0	42	-1.0	-49.98	354.67	3.20	-46.78
O=C(NC1=CC=CC=C1S(=O)(=O)C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238168	1	42	-1.0	-49.99	354.75	3.21	-46.78
O=C(NC1=CC=CC=C1S(=O)(=O)C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238169	0	48	-1.0	-58.82	376.08	4.92	-53.90
O=C(NC1=CC=CC=C1S(=O)(=O)C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238169	1	48	-1.0	-58.78	376.14	4.92	-53.86
O=C(NC1=C(F)C=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238170	0	35	-1.0	-44.04	315.96	5.03	-39.01
O=C(NC1=C(F)C=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238170	1	35	-1.0	-44.04	316.02	5.04	-39.00
O=C(NC1=C(F)C=CC(Br)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020238171	0	32	-1.0	-54.41	306.14	4.25	-50.16
O=C(NC1=C(F)C=CC(Br)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020238171	1	32	-1.0	-54.41	306.20	4.27	-50.14
O=C(NC1=C(F)C=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020238172	0	32	-1.0	-45.55	307.48	4.28	-41.27
O=C(NC1=C(F)C=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020238172	1	32	-1.0	-45.61	307.55	4.30	-41.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1OC1=CC=CC=N1	REAL300020238173	0	45	-1.0	-46.33	388.53	5.22	-41.11
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1OC1=CC=CC=N1	REAL300020238173	1	45	-1.0	-46.35	388.47	5.19	-41.16
O=C(NC1=CC=CC=C1OC1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238174	0	45	-1.0	-44.45	370.26	4.70	-39.75
O=C(NC1=CC=CC=C1OC1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238174	1	45	-1.0	-44.43	370.21	4.68	-39.75
O=C(NC1=CC=CC=C1OC1=CC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020238175	0	42	-1.0	-57.41	354.97	3.80	-53.61
O=C(NC1=CC=CC=C1OC1=CC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020238175	1	42	-1.0	-57.39	354.91	3.78	-53.61
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020238176	0	45	-1.0	-50.13	397.75	3.75	-46.38
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020238176	1	45	-1.0	-50.14	397.69	3.73	-46.41
O=C(NC1=CC=CC=C1OC1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238177	0	42	-1.0	-45.92	356.39	3.84	-42.08
O=C(NC1=CC=CC=C1OC1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238177	1	42	-1.0	-45.88	356.31	3.83	-42.05
O=C(NC1=CC=CC=C1OC1=CC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238178	0	48	-1.0	-53.66	376.94	5.78	-47.88
O=C(NC1=CC=CC=C1OC1=CC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238178	1	48	-1.0	-53.63	376.89	5.77	-47.86
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300020238179	0	43	-1.0	-44.60	361.58	6.63	-37.97
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300020238179	1	43	-1.0	-44.64	361.64	6.65	-37.99
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300020238180	0	40	-1.0	-58.18	348.47	5.80	-52.38
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300020238180	1	40	-1.0	-58.23	348.53	5.81	-52.42
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300020238181	0	40	-1.0	-46.25	348.84	5.80	-40.45
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300020238181	1	40	-1.0	-46.30	348.92	5.81	-40.49
C#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020238182	0	37	-1.0	-40.32	343.89	6.60	-33.72
C#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020238182	1	37	-1.0	-40.34	343.84	6.57	-33.77
C#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020238183	0	37	-1.0	-42.03	325.20	6.10	-35.93
C#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020238183	1	37	-1.0	-42.06	325.25	6.12	-35.94
C#CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020238184	0	34	-1.0	-50.51	309.79	5.19	-45.32
C#CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020238184	1	34	-1.0	-50.52	309.84	5.20	-45.32
C#CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=C1	REAL300020238185	0	37	-1.0	-44.67	353.30	5.14	-39.53
C#CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=C1	REAL300020238185	1	37	-1.0	-44.68	353.36	5.16	-39.52
C#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020238186	0	34	-1.0	-41.78	312.02	5.25	-36.53
C#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020238186	1	34	-1.0	-41.83	312.10	5.27	-36.56
C#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020238187	0	40	-1.0	-47.78	333.59	7.09	-40.69
C#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020238187	1	40	-1.0	-47.78	333.65	7.09	-40.69
COC(=O)C1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020238188	0	43	-1.0	-48.64	370.02	5.71	-42.93
COC(=O)C1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020238188	1	43	-1.0	-48.60	369.97	5.68	-42.92
COC(=O)C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020238189	0	43	-1.0	-48.03	351.11	5.18	-42.85
COC(=O)C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020238189	1	43	-1.0	-48.05	351.17	5.20	-42.85
COC(=O)C1=CN=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020238190	0	40	-1.0	-57.61	335.80	4.27	-53.34
COC(=O)C1=CN=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020238190	1	40	-1.0	-57.58	335.86	4.29	-53.29
COC(=O)C1=CN=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020238191	0	43	-1.0	-51.52	379.33	4.23	-47.29
COC(=O)C1=CN=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020238191	1	43	-1.0	-51.50	379.39	4.25	-47.25
COC(=O)C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020238192	0	40	-1.0	-48.30	336.91	4.31	-43.99
COC(=O)C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020238192	1	40	-1.0	-48.30	336.98	4.33	-43.97
COC(=O)C1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020238193	0	46	-1.0	-43.49	363.54	4.69	-38.80
COC(=O)C1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020238193	1	46	-1.0	-43.50	363.59	4.72	-38.78
O=C(NC1=CC=C(OC2=CC=CC=C2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238194	0	46	-1.0	-46.42	390.58	7.71	-38.71
O=C(NC1=CC=C(OC2=CC=CC=C2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238194	1	46	-1.0	-46.43	390.64	7.73	-38.70
O=C(NC1=CC=C(OC2=CC=CC=C2)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238195	0	43	-1.0	-58.03	374.44	6.81	-51.22
O=C(NC1=CC=C(OC2=CC=CC=C2)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238195	1	43	-1.0	-58.05	374.50	6.83	-51.22
O=C(NC1=CC=C(OC2=CC=CC=C2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238196	0	43	-1.0	-46.78	375.83	6.87	-39.91
O=C(NC1=CC=C(OC2=CC=CC=C2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238196	1	43	-1.0	-46.80	375.90	6.87	-39.93
O=C(NC1=CC=NN1CC1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238197	0	42	-1.0	-44.50	373.05	6.57	-37.93
O=C(NC1=CC=NN1CC1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238197	1	42	-1.0	-44.47	373.00	6.56	-37.91
O=C(NC1=CC=NN1CC1=CC=C(Cl)S1)N1CCCC1C1=NN=N[N-]1	REAL300020238198	0	39	-1.0	-53.37	357.79	5.68	-47.69
O=C(NC1=CC=NN1CC1=CC=C(Cl)S1)N1CCCC1C1=N[N-]N=N1	REAL300020238198	1	39	-1.0	-53.36	357.73	5.67	-47.69
O=C(NC1=CC=NN1CC1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238199	0	39	-1.0	-43.73	359.28	5.73	-38.00
O=C(NC1=CC=NN1CC1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238199	1	39	-1.0	-43.69	359.21	5.72	-37.97
CC(C)N1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020238200	0	41	-1.0	-45.41	345.55	3.92	-41.49
CC(C)N1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020238200	1	41	-1.0	-45.39	345.50	3.90	-41.49
CC(C)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020238201	0	41	-1.0	-46.74	326.37	3.46	-43.28
CC(C)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020238201	1	41	-1.0	-46.71	326.31	3.45	-43.26
CSCC[C@H](NC(=O)NC1=CN(C(C)C)N=C1)C1=NN=N[N-]1	REAL300020238202	0	41	-1.0	-51.05	354.53	2.51	-48.54
CSCC[C@H](NC(=O)NC1=CN(C(C)C)N=C1)C1=N[N-]N=N1	REAL300020238202	1	41	-1.0	-51.08	354.47	2.49	-48.59
CC(C)N1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020238203	0	44	-1.0	-54.75	334.36	4.34	-50.41
CC(C)N1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020238203	1	44	-1.0	-54.77	334.32	4.33	-50.44
CC(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)(C1=CC=CC=C1)C(F)(F)F	REAL300020238204	0	44	-1.0	-42.35	372.75	6.29	-36.06
CC(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)(C1=CC=CC=C1)C(F)(F)F	REAL300020238204	1	44	-1.0	-42.37	372.81	6.31	-36.06
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)(C1=CC=CC=C1)C(F)(F)F	REAL300020238205	0	44	-1.0	-40.91	351.73	5.60	-35.31
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)(C1=CC=CC=C1)C(F)(F)F	REAL300020238205	1	44	-1.0	-40.95	351.79	5.62	-35.33
CC(NC(=O)N1CCCC1C1=N[N-]N=N1)(C1=CC=CC=C1)C(F)(F)F	REAL300020238206	0	41	-1.0	-49.35	339.26	4.96	-44.39
CC(NC(=O)N1CCCC1C1=NN=N[N-]1)(C1=CC=CC=C1)C(F)(F)F	REAL300020238206	1	41	-1.0	-49.36	339.32	4.99	-44.37
CSCC[C@H](NC(=O)NC(C)(C1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300020238207	0	44	-1.0	-43.49	382.21	4.72	-38.77
CSCC[C@H](NC(=O)NC(C)(C1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300020238207	1	44	-1.0	-43.51	382.26	4.74	-38.77
CC(NC(=O)N1CCC(C2=N[N-]N=N2)C1)(C1=CC=CC=C1)C(F)(F)F	REAL300020238208	0	41	-1.0	-41.15	340.08	4.82	-36.33
CC(NC(=O)N1CCC(C2=NN=N[N-]2)C1)(C1=CC=CC=C1)C(F)(F)F	REAL300020238208	1	41	-1.0	-41.20	340.15	4.83	-36.37
CC(NC(=O)N1CCCCC1CC1=N[N-]N=N1)(C1=CC=CC=C1)C(F)(F)F	REAL300020238209	0	47	-1.0	-38.34	355.52	7.12	-31.22
CC(NC(=O)N1CCCCC1CC1=NN=N[N-]1)(C1=CC=CC=C1)C(F)(F)F	REAL300020238209	1	47	-1.0	-38.28	355.54	7.13	-31.15
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1(C(F)(F)F)CCCCC1	REAL300020238210	0	44	-1.0	-41.67	353.77	5.66	-36.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1(C(F)(F)F)CCCCC1	REAL300020238210	1	44	-1.0	-41.67	353.83	5.68	-35.99
O=C(NC1(C(F)(F)F)CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238211	0	44	-1.0	-43.99	335.63	5.32	-38.67
O=C(NC1(C(F)(F)F)CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238211	1	44	-1.0	-43.98	335.69	5.34	-38.64
O=C(NC1(C(F)(F)F)CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020238212	0	41	-1.0	-55.66	320.12	4.36	-51.30
O=C(NC1(C(F)(F)F)CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020238212	1	41	-1.0	-55.69	320.18	4.39	-51.30
CSCC[C@H](NC(=O)NC1(C(F)(F)F)CCCCC1)C1=N[N-]N=N1	REAL300020238213	0	44	-1.0	-48.83	363.69	4.34	-44.49
CSCC[C@H](NC(=O)NC1(C(F)(F)F)CCCCC1)C1=NN=N[N-]1	REAL300020238213	1	44	-1.0	-48.78	363.75	4.36	-44.42
O=C(NC1(C(F)(F)F)CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238214	0	41	-1.0	-43.83	321.54	4.44	-39.39
O=C(NC1(C(F)(F)F)CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238214	1	41	-1.0	-43.86	321.61	4.45	-39.41
O=C(NC1(C(F)(F)F)CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238215	0	47	-1.0	-48.30	342.89	6.18	-42.12
O=C(NC1(C(F)(F)F)CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238215	1	47	-1.0	-48.24	342.92	6.20	-42.04
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1(C(F)(F)F)CC1	REAL300020238216	0	35	-1.0	-43.31	313.85	3.58	-39.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1(C(F)(F)F)CC1	REAL300020238216	1	35	-1.0	-43.30	313.79	3.56	-39.74
O=C(NC1(C(F)(F)F)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238217	0	35	-1.0	-45.98	294.74	3.11	-42.87
O=C(NC1(C(F)(F)F)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238217	1	35	-1.0	-46.02	294.80	3.12	-42.90
CSCC[C@H](NC(=O)NC1(C(F)(F)F)CC1)C1=N[N-]N=N1	REAL300020238218	0	35	-1.0	-46.25	323.58	2.13	-44.12
CSCC[C@H](NC(=O)NC1(C(F)(F)F)CC1)C1=NN=N[N-]1	REAL300020238218	1	35	-1.0	-46.23	323.64	2.15	-44.08
O=C(NC1(C(F)(F)F)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238219	0	38	-1.0	-44.41	307.69	3.21	-41.20
O=C(NC1(C(F)(F)F)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238219	1	38	-1.0	-44.39	307.74	3.22	-41.17
CC(C)N1N=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020238220	0	39	-1.0	-45.95	340.20	4.60	-41.35
CC(C)N1N=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020238220	1	39	-1.0	-45.95	340.14	4.57	-41.38
CC(C)N1N=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020238221	0	39	-1.0	-48.13	321.03	4.12	-44.01
CC(C)N1N=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020238221	1	39	-1.0	-48.13	320.98	4.11	-44.02
CSCC[C@H](NC(=O)NC1=NN(C(C)C)N=N1)C1=NN=N[N-]1	REAL300020238222	0	39	-1.0	-51.33	349.18	3.17	-48.16
CSCC[C@H](NC(=O)NC1=NN(C(C)C)N=N1)C1=N[N-]N=N1	REAL300020238222	1	39	-1.0	-51.33	349.12	3.16	-48.17
CC(C)N1N=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020238223	0	42	-1.0	-55.67	329.49	4.99	-50.68
CC(C)N1N=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020238223	1	42	-1.0	-55.67	329.43	4.98	-50.69
CCC(C)(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020238224	0	40	-1.0	-42.02	328.54	3.86	-38.16
CCC(C)(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020238224	1	40	-1.0	-42.00	328.48	3.83	-38.17
CCC(C)(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020238225	0	40	-1.0	-44.49	313.18	3.83	-40.66
CCC(C)(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020238225	1	40	-1.0	-44.52	313.24	3.85	-40.67
CCC(C)(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020238226	0	37	-1.0	-51.41	294.02	2.44	-48.97
CCC(C)(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020238226	1	37	-1.0	-51.43	294.08	2.47	-48.96
CCC(C)(NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(F)(F)F	REAL300020238227	0	40	-1.0	-41.70	340.32	2.53	-39.17
CCC(C)(NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(F)(F)F	REAL300020238227	1	40	-1.0	-41.66	340.37	2.54	-39.12
CCC(C)(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020238228	0	37	-1.0	-43.38	298.52	2.87	-40.51
CCC(C)(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020238228	1	37	-1.0	-43.38	298.59	2.87	-40.51
CCC(C)(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020238229	0	43	-1.0	-50.91	313.28	4.46	-46.45
CCC(C)(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020238229	1	43	-1.0	-50.92	313.33	4.46	-46.46
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)(C1=CC=C(F)C=C1)C(F)(F)F	REAL300020238230	0	44	-1.0	-40.59	360.34	5.83	-34.76
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)(C1=CC=C(F)C=C1)C(F)(F)F	REAL300020238230	1	44	-1.0	-40.62	360.40	5.85	-34.77
CC(NC(=O)N1CCCC1C1=N[N-]N=N1)(C1=CC=C(F)C=C1)C(F)(F)F	REAL300020238231	0	41	-1.0	-49.21	345.71	5.03	-44.18
CC(NC(=O)N1CCCC1C1=NN=N[N-]1)(C1=CC=C(F)C=C1)C(F)(F)F	REAL300020238231	1	41	-1.0	-49.19	345.77	5.05	-44.14
CC(NC(=O)N1CCC(C2=N[N-]N=N2)C1)(C1=CC=C(F)C=C1)C(F)(F)F	REAL300020238232	0	41	-1.0	-40.80	346.47	4.90	-35.90
CC(NC(=O)N1CCC(C2=NN=N[N-]2)C1)(C1=CC=C(F)C=C1)C(F)(F)F	REAL300020238232	1	41	-1.0	-40.82	346.55	4.90	-35.92
CC(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)(C1CC1)C(F)(F)F	REAL300020238233	0	41	-1.0	-38.36	338.46	4.53	-33.83
CC(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)(C1CC1)C(F)(F)F	REAL300020238233	1	41	-1.0	-38.40	338.52	4.55	-33.85
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)(C1CC1)C(F)(F)F	REAL300020238234	0	41	-1.0	-42.29	316.88	4.12	-38.17
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)(C1CC1)C(F)(F)F	REAL300020238234	1	41	-1.0	-42.32	316.93	4.14	-38.18
CC(NC(=O)N1CCCC1C1=N[N-]N=N1)(C1CC1)C(F)(F)F	REAL300020238235	0	38	-1.0	-47.25	304.18	3.12	-44.13
CC(NC(=O)N1CCCC1C1=NN=N[N-]1)(C1CC1)C(F)(F)F	REAL300020238235	1	38	-1.0	-47.27	304.24	3.15	-44.12
CSCC[C@H](NC(=O)NC(C)(C1CC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020238236	0	41	-1.0	-42.49	351.06	3.21	-39.28
CSCC[C@H](NC(=O)NC(C)(C1CC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020238236	1	41	-1.0	-42.48	351.12	3.23	-39.25
CC(NC(=O)N1CCC(C2=N[N-]N=N2)C1)(C1CC1)C(F)(F)F	REAL300020238237	0	38	-1.0	-39.30	305.54	3.20	-36.10
CC(NC(=O)N1CCC(C2=NN=N[N-]2)C1)(C1CC1)C(F)(F)F	REAL300020238237	1	38	-1.0	-39.28	305.61	3.21	-36.07
CC(NC(=O)N1CCCCC1CC1=N[N-]N=N1)(C1CC1)C(F)(F)F	REAL300020238238	0	44	-1.0	-51.82	322.49	5.23	-46.59
CC(NC(=O)N1CCCCC1CC1=NN=N[N-]1)(C1CC1)C(F)(F)F	REAL300020238238	1	44	-1.0	-51.88	322.52	5.25	-46.63
CS(C)(=O)=NC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238239	0	47	-1.0	-62.47	387.28	3.02	-59.45
CS(C)(=O)=NC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238239	1	47	-1.0	-62.49	387.33	3.03	-59.46
CS(C)(=O)=NC(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238240	0	44	-1.0	-72.26	371.03	2.03	-70.23
CS(C)(=O)=NC(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238240	1	44	-1.0	-72.26	371.08	2.05	-70.21
CS(C)(=O)=NC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238241	0	44	-1.0	-61.67	373.53	2.18	-59.49
CS(C)(=O)=NC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238241	1	44	-1.0	-61.69	373.61	2.19	-59.50
CCC1=NC(OC)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238242	0	44	-1.0	-43.97	369.85	3.13	-40.84
CCC1=NC(OC)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238242	1	44	-1.0	-43.91	369.79	3.11	-40.80
CCC1=NC(OC)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238243	0	44	-1.0	-42.51	349.33	2.52	-39.99
CCC1=NC(OC)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238243	1	44	-1.0	-42.46	349.39	2.54	-39.92
CCC1=NC(OC)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238244	0	41	-1.0	-53.14	334.67	1.65	-51.49
CCC1=NC(OC)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238244	1	41	-1.0	-53.12	334.73	1.67	-51.45
CCC1=NC(OC)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020238245	0	44	-1.0	-45.14	378.34	1.61	-43.53
CCC1=NC(OC)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020238245	1	44	-1.0	-45.17	378.40	1.62	-43.55
CCC1=NC(OC)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238246	0	41	-1.0	-43.10	336.19	1.70	-41.40
CCC1=NC(OC)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238246	1	41	-1.0	-43.16	336.26	1.72	-41.44
CCC1=NC(OC)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238247	0	47	-1.0	-49.50	358.63	3.53	-45.97
CCC1=NC(OC)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238247	1	47	-1.0	-49.50	358.68	3.54	-45.96
CCOC(=O)C1=C2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CN2N=C1	REAL300020238248	0	47	-1.0	-44.92	385.26	5.53	-39.39
CCOC(=O)C1=C2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CN2N=C1	REAL300020238248	1	47	-1.0	-44.86	385.21	5.52	-39.34
CCOC(=O)C1=C2C=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CN2N=C1	REAL300020238249	0	44	-1.0	-52.42	374.76	4.75	-47.67
CCOC(=O)C1=C2C=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CN2N=C1	REAL300020238249	1	44	-1.0	-52.42	374.70	4.75	-47.67
CCOC(=O)C1=C2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CN2N=C1	REAL300020238250	0	44	-1.0	-46.19	376.17	4.81	-41.38
CCOC(=O)C1=C2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CN2N=C1	REAL300020238250	1	44	-1.0	-46.23	376.09	4.80	-41.43
CCOC(=O)C1=C2C=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CN2N=C1	REAL300020238251	0	50	-1.0	-46.10	400.03	5.80	-40.30
CCOC(=O)C1=C2C=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CN2N=C1	REAL300020238251	1	50	-1.0	-46.10	399.99	5.80	-40.30
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=NC=CN21	REAL300020238252	0	38	-1.0	-50.64	329.52	5.90	-44.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=NC=CN21	REAL300020238252	1	38	-1.0	-50.65	329.46	5.88	-44.77
O=C(NC1=CC=CC2=NC=CN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238253	0	38	-1.0	-43.82	307.12	5.52	-38.30
O=C(NC1=CC=CC2=NC=CN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238253	1	38	-1.0	-43.85	307.18	5.53	-38.32
CSCC[C@H](NC(=O)NC1=CC=CC2=NC=CN21)C1=N[N-]N=N1	REAL300020238254	0	38	-1.0	-49.63	339.24	4.36	-45.27
CSCC[C@H](NC(=O)NC1=CC=CC2=NC=CN21)C1=NN=N[N-]1	REAL300020238254	1	38	-1.0	-49.69	339.29	4.38	-45.31
O=C(NC1=CC=CC2=NC=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020238255	0	41	-1.0	-47.37	315.25	6.54	-40.83
O=C(NC1=CC=CC2=NC=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020238255	1	41	-1.0	-47.39	315.29	6.55	-40.84
O=C(NC1=CNC2=CC=CC=C12)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238256	0	39	-1.0	-48.47	334.09	4.89	-43.58
O=C(NC1=CNC2=CC=CC=C12)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238256	1	39	-1.0	-48.47	334.03	4.87	-43.60
O=C(NC1=CNC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238257	0	39	-1.0	-43.58	315.09	4.36	-39.22
O=C(NC1=CNC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238257	1	39	-1.0	-43.58	315.15	4.37	-39.21
CSCC[C@H](NC(=O)NC1=CNC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020238258	0	39	-1.0	-46.65	343.25	3.41	-43.24
CSCC[C@H](NC(=O)NC1=CNC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020238258	1	39	-1.0	-46.61	343.31	3.43	-43.18
O=C(NC1=CNC2=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020238259	0	42	-1.0	-49.15	323.10	5.23	-43.92
O=C(NC1=CNC2=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020238259	1	42	-1.0	-49.17	323.15	5.24	-43.93
COC(=O)C1=NN(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238260	0	41	-1.0	-47.73	360.48	4.01	-43.72
COC(=O)C1=NN(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238260	1	41	-1.0	-47.75	360.42	3.99	-43.76
COC(=O)C1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238261	0	41	-1.0	-49.23	341.29	3.54	-45.69
COC(=O)C1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238261	1	41	-1.0	-49.15	341.23	3.53	-45.62
COC(=O)C1=NN(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238262	0	38	-1.0	-60.71	325.85	2.63	-58.08
COC(=O)C1=NN(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238262	1	38	-1.0	-60.69	325.79	2.61	-58.08
COC(=O)C1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020238263	0	41	-1.0	-52.81	369.47	2.59	-50.22
COC(=O)C1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020238263	1	41	-1.0	-52.82	369.41	2.57	-50.25
COC(=O)C1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238264	0	38	-1.0	-50.19	327.33	2.68	-47.51
COC(=O)C1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238264	1	38	-1.0	-50.15	327.26	2.67	-47.48
COC(=O)C1=NN(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238265	0	44	-1.0	-58.03	349.29	4.41	-53.62
COC(=O)C1=NN(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238265	1	44	-1.0	-58.03	349.25	4.42	-53.61
O=CNC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238266	0	39	-1.0	-57.71	337.74	2.96	-54.75
O=CNC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238266	1	39	-1.0	-57.69	337.68	2.94	-54.75
O=CNC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238267	0	39	-1.0	-50.06	318.72	2.42	-47.64
O=CNC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238267	1	39	-1.0	-50.04	318.78	2.44	-47.60
O=CNC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238268	0	36	-1.0	-59.03	303.19	1.55	-57.48
O=CNC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238268	1	36	-1.0	-59.09	303.25	1.57	-57.52
CSCC[C@H](NC(=O)NC1=CC=CC(NC=O)=C1)C1=N[N-]N=N1	REAL300020238269	0	39	-1.0	-52.66	347.25	1.51	-51.15
CSCC[C@H](NC(=O)NC1=CC=CC(NC=O)=C1)C1=NN=N[N-]1	REAL300020238269	1	39	-1.0	-52.61	347.31	1.52	-51.09
O=CNC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238270	0	36	-1.0	-48.74	304.77	1.59	-47.15
O=CNC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238270	1	36	-1.0	-48.73	304.85	1.60	-47.13
O=CNC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238271	0	42	-1.0	-48.81	330.04	2.83	-45.98
O=CNC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238271	1	42	-1.0	-48.83	330.08	2.81	-46.02
O=C(NC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238272	0	49	-1.0	-46.99	392.13	8.10	-38.89
O=C(NC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238272	1	49	-1.0	-46.98	392.19	8.11	-38.87
O=C(NC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300020238273	0	46	-1.0	-60.32	382.22	6.81	-53.51
O=C(NC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300020238273	1	46	-1.0	-60.35	382.17	6.80	-53.55
O=C(NC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020238274	0	46	-1.0	-48.58	383.62	6.84	-41.74
O=C(NC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020238274	1	46	-1.0	-48.63	383.69	6.85	-41.78
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1S(=O)(=O)N(C)C	REAL300020238275	0	49	-1.0	-49.93	387.15	2.75	-47.18
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1S(=O)(=O)N(C)C	REAL300020238275	1	49	-1.0	-49.90	387.21	2.77	-47.13
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1S(=O)(=O)N(C)C	REAL300020238276	0	46	-1.0	-62.38	370.84	1.86	-60.52
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1S(=O)(=O)N(C)C	REAL300020238276	1	46	-1.0	-62.37	370.90	1.88	-60.49
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1S(=O)(=O)N(C)C	REAL300020238277	0	46	-1.0	-50.55	372.88	1.86	-48.69
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1S(=O)(=O)N(C)C	REAL300020238277	1	46	-1.0	-50.57	372.96	1.87	-48.70
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2CC2)=C1	REAL300020238278	0	43	-1.0	-41.55	370.39	7.44	-34.11
N#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2CC2)=C1	REAL300020238278	1	43	-1.0	-41.54	370.33	7.42	-34.12
N#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2CC2)=C1	REAL300020238279	0	43	-1.0	-42.47	349.95	6.94	-35.53
N#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2CC2)=C1	REAL300020238279	1	43	-1.0	-42.50	350.01	6.96	-35.54
N#CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C2CC2)=C1	REAL300020238280	0	40	-1.0	-50.94	334.95	6.00	-44.94
N#CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C2CC2)=C1	REAL300020238280	1	40	-1.0	-50.96	335.01	6.02	-44.94
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C=C1C1CC1)C1=N[N-]N=N1	REAL300020238281	0	43	-1.0	-44.96	379.55	6.02	-38.94
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C=C1C1CC1)C1=NN=N[N-]1	REAL300020238281	1	43	-1.0	-44.94	379.60	6.04	-38.90
N#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CC2)=C1	REAL300020238282	0	40	-1.0	-43.02	336.29	6.07	-36.95
N#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CC2)=C1	REAL300020238282	1	40	-1.0	-43.01	336.36	6.09	-36.92
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C2CC2)=C1	REAL300020238283	0	46	-1.0	-37.93	360.28	7.07	-30.86
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C2CC2)=C1	REAL300020238283	1	46	-1.0	-37.92	360.33	7.08	-30.84
COC(=O)C1=NNC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020238284	0	41	-1.0	-42.11	356.26	3.52	-38.59
COC(=O)C1=NNC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020238284	1	41	-1.0	-42.07	356.20	3.50	-38.57
COC(=O)C1=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020238284	1	41	-1.0	-45.34	358.83	3.56	-41.78
COC(=O)C1=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1	REAL300020238284	1	41	-1.0	-45.37	358.77	3.53	-41.84
COC(=O)C1=NNC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020238285	0	41	-1.0	-43.68	336.97	3.05	-40.63
COC(=O)C1=NNC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020238285	1	41	-1.0	-43.69	337.03	3.07	-40.62
COC(=O)C1=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1	REAL300020238285	1	41	-1.0	-47.40	339.55	3.05	-44.35
COC(=O)C1=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1	REAL300020238285	1	41	-1.0	-47.44	339.61	3.06	-44.38
COC(=O)C1=NNC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020238286	0	38	-1.0	-50.52	321.56	2.14	-48.38
COC(=O)C1=NNC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020238286	1	38	-1.0	-50.49	321.62	2.15	-48.34
COC(=O)C1=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1	REAL300020238286	1	38	-1.0	-57.37	324.12	2.14	-55.23
COC(=O)C1=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1	REAL300020238286	1	38	-1.0	-57.40	324.18	2.16	-55.24
COC(=O)C1=NNC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020238287	0	41	-1.0	-44.62	365.17	2.09	-42.53
COC(=O)C1=NNC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020238287	1	41	-1.0	-44.57	365.23	2.11	-42.46
COC(=O)C1=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NN1	REAL300020238287	1	41	-1.0	-50.29	367.75	2.11	-48.18
COC(=O)C1=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NN1	REAL300020238287	1	41	-1.0	-50.26	367.81	2.13	-48.13
COC(=O)C1=NNC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020238288	0	38	-1.0	-42.88	323.02	2.19	-40.69
COC(=O)C1=NNC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020238288	1	38	-1.0	-42.91	323.09	2.20	-40.71
COC(=O)C1=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1	REAL300020238288	1	38	-1.0	-47.50	325.59	2.20	-45.30
COC(=O)C1=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020238288	1	38	-1.0	-47.51	325.66	2.21	-45.30
COC(=O)C1=NNC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020238289	0	44	-1.0	-47.54	345.31	3.94	-43.60
COC(=O)C1=NNC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020238289	1	44	-1.0	-47.57	345.36	3.95	-43.62
COC(=O)C1=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1	REAL300020238289	1	44	-1.0	-53.27	347.81	3.93	-49.34
COC(=O)C1=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1	REAL300020238289	1	44	-1.0	-53.29	347.86	3.93	-49.36
CN1C=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC1=O	REAL300020238290	0	38	-1.0	-48.87	328.70	3.43	-45.44
CN1C=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC1=O	REAL300020238290	1	38	-1.0	-48.89	328.76	3.45	-45.44
CN1C=C(Br)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC1=O	REAL300020238291	0	35	-1.0	-56.05	313.43	2.53	-53.52
CN1C=C(Br)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC1=O	REAL300020238291	1	35	-1.0	-56.05	313.49	2.55	-53.50
CN1C=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020238292	0	35	-1.0	-47.30	314.11	2.66	-44.64
CN1C=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020238292	1	35	-1.0	-47.37	314.18	2.68	-44.69
CN1C=C(Br)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020238293	0	41	-1.0	-53.27	336.46	4.39	-48.88
CN1C=C(Br)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020238293	1	41	-1.0	-53.23	336.51	4.40	-48.83
CCOC(=O)C1=CN(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238294	0	45	-1.0	-50.88	386.00	6.13	-44.75
CCOC(=O)C1=CN(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238294	1	45	-1.0	-50.88	385.94	6.10	-44.78
CCOC(=O)C1=CN(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238295	0	45	-1.0	-47.66	366.74	5.65	-42.01
CCOC(=O)C1=CN(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238295	1	45	-1.0	-47.65	366.79	5.67	-41.98
CCOC(=O)C1=CN(C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238296	0	42	-1.0	-56.21	351.29	4.73	-51.48
CCOC(=O)C1=CN(C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238296	1	42	-1.0	-56.18	351.35	4.76	-51.42
CCOC(=O)C1=CN(C)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020238297	0	45	-1.0	-50.37	394.90	4.71	-45.66
CCOC(=O)C1=CN(C)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020238297	1	45	-1.0	-50.39	394.96	4.72	-45.67
CCOC(=O)C1=CN(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238298	0	42	-1.0	-46.41	352.76	4.76	-41.65
CCOC(=O)C1=CN(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238298	1	42	-1.0	-46.41	352.84	4.78	-41.63
CCOC(=O)C1=CN(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238299	0	48	-1.0	-51.61	374.81	6.52	-45.09
CCOC(=O)C1=CN(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238299	1	48	-1.0	-51.62	374.86	6.54	-45.08
CC(C)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N(C)N=N1	REAL300020238300	0	43	-1.0	-42.41	362.58	3.80	-38.61
CC(C)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N(C)N=N1	REAL300020238300	1	43	-1.0	-42.43	362.52	3.77	-38.66
CC(C)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N(C)N=N1	REAL300020238301	0	43	-1.0	-43.65	343.39	3.30	-40.35
CC(C)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N(C)N=N1	REAL300020238301	1	43	-1.0	-43.68	343.44	3.32	-40.36
CC(C)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N(C)N=N1	REAL300020238302	0	40	-1.0	-50.20	322.68	2.35	-47.85
CC(C)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N(C)N=N1	REAL300020238302	1	40	-1.0	-50.21	322.74	2.37	-47.84
CSCC[C@H](NC(=O)NC1=C(C(C)C)N=NN1C)C1=N[N-]N=N1	REAL300020238303	0	43	-1.0	-46.56	371.54	2.34	-44.22
CSCC[C@H](NC(=O)NC1=C(C(C)C)N=NN1C)C1=NN=N[N-]1	REAL300020238303	1	43	-1.0	-46.60	371.59	2.35	-44.25
CC(C)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N(C)N=N1	REAL300020238304	0	40	-1.0	-42.44	324.01	2.41	-40.03
CC(C)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N(C)N=N1	REAL300020238304	1	40	-1.0	-42.45	324.08	2.42	-40.03
CC(C)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N(C)N=N1	REAL300020238305	0	46	-1.0	-45.81	343.40	3.40	-42.41
CC(C)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N(C)N=N1	REAL300020238305	1	46	-1.0	-45.82	343.45	3.40	-42.42
CN1CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C1=O	REAL300020238306	0	43	-1.0	-61.26	366.92	4.69	-56.57
CN1CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C1=O	REAL300020238306	1	43	-1.0	-61.27	366.86	4.67	-56.60
CN1CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C1=O	REAL300020238307	0	43	-1.0	-48.31	348.57	4.14	-44.17
CN1CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C1=O	REAL300020238307	1	43	-1.0	-48.31	348.62	4.15	-44.16
CN1CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C1=O	REAL300020238308	0	40	-1.0	-77.05	332.99	3.25	-73.80
CN1CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C1=O	REAL300020238308	1	40	-1.0	-77.06	333.05	3.27	-73.79
CSCC[C@H](NC(=O)NC1=CC=C2CN(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL300020238309	0	43	-1.0	-60.55	376.38	3.18	-57.37
CSCC[C@H](NC(=O)NC1=CC=C2CN(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL300020238309	1	43	-1.0	-60.53	376.44	3.20	-57.33
CN1CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020238310	0	40	-1.0	-60.73	334.66	3.28	-57.45
CN1CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020238310	1	40	-1.0	-60.72	334.73	3.29	-57.43
CN1CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1=O	REAL300020238311	0	46	-1.0	-52.43	361.02	4.29	-48.14
CN1CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1=O	REAL300020238311	1	46	-1.0	-50.12	361.07	4.32	-45.80
O=C(NC1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238312	0	39	-1.0	-50.34	349.06	4.69	-45.65
O=C(NC1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238312	1	39	-1.0	-50.29	349.00	4.68	-45.61
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238312	1	38	-2.0	-98.52	347.98	3.86	-94.66
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238312	1	38	-2.0	-98.49	347.92	3.84	-94.65
O=C(NC1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020238313	0	36	-1.0	-61.01	333.59	3.78	-57.23
O=C(NC1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020238313	1	36	-1.0	-61.01	333.53	3.76	-57.25
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020238313	1	35	-2.0	-121.30	332.13	2.71	-118.59
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020238313	1	35	-2.0	-121.30	332.19	2.74	-118.56
O=C(NC1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238314	0	36	-1.0	-50.23	335.07	3.83	-46.40
O=C(NC1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238314	1	36	-1.0	-50.24	335.00	3.82	-46.42
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238314	1	35	-2.0	-99.61	332.95	2.79	-96.82
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238314	1	35	-2.0	-99.61	332.88	2.78	-96.83
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C1CCOC1)C(F)(F)F	REAL300020238315	0	42	-1.0	-42.93	356.41	3.00	-39.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C1CCOC1)C(F)(F)F	REAL300020238315	1	42	-1.0	-42.95	356.47	3.03	-39.92
O=C(NC(C1CCOC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238316	0	42	-1.0	-44.21	337.62	2.72	-41.49
O=C(NC(C1CCOC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238316	1	42	-1.0	-44.19	337.68	2.74	-41.45
O=C(NC(C1CCOC1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020238317	0	39	-1.0	-49.16	319.06	1.94	-47.22
O=C(NC(C1CCOC1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020238317	1	39	-1.0	-49.19	319.12	1.97	-47.22
CSCC[C@H](NC(=O)NC(C1CCOC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020238318	0	42	-1.0	-46.05	366.33	1.55	-44.50
CSCC[C@H](NC(=O)NC(C1CCOC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020238318	1	42	-1.0	-46.04	366.38	1.57	-44.47
O=C(NC(C1CCOC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020238319	0	39	-1.0	-43.18	320.34	1.99	-41.19
O=C(NC(C1CCOC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020238319	1	39	-1.0	-43.22	320.41	2.00	-41.22
O=C(NC(C1CCOC1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020238320	0	45	-1.0	-44.91	342.61	3.66	-41.25
O=C(NC(C1CCOC1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020238320	1	45	-1.0	-44.93	342.67	3.66	-41.27
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1OC(F)F	REAL300020238321	0	42	-1.0	-58.92	362.49	5.11	-53.81
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1OC(F)F	REAL300020238321	1	42	-1.0	-58.91	362.43	5.08	-53.83
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC(F)F	REAL300020238322	0	42	-1.0	-46.91	343.56	4.59	-42.32
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC(F)F	REAL300020238322	1	42	-1.0	-46.96	343.62	4.60	-42.36
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020238323	0	39	-1.0	-56.99	328.08	3.69	-53.30
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020238323	1	39	-1.0	-57.01	328.14	3.71	-53.30
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300020238324	0	42	-1.0	-49.31	371.61	3.65	-45.66
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300020238324	1	42	-1.0	-49.25	371.67	3.67	-45.58
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)F	REAL300020238325	0	39	-1.0	-48.11	329.46	3.75	-44.36
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020238325	1	39	-1.0	-48.09	329.54	3.76	-44.33
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020238326	0	45	-1.0	-44.23	355.93	4.79	-39.44
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020238326	1	45	-1.0	-44.22	355.97	4.79	-39.43
CC1=CC(OC(F)F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238327	0	42	-1.0	-48.48	360.86	5.29	-43.19
CC1=CC(OC(F)F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238327	1	42	-1.0	-48.48	360.80	5.27	-43.21
CC1=CC(OC(F)F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238328	0	42	-1.0	-46.72	340.16	4.74	-41.98
CC1=CC(OC(F)F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238328	1	42	-1.0	-46.80	340.22	4.76	-42.04
CC1=CC(OC(F)F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238329	0	39	-1.0	-60.29	325.40	3.82	-56.47
CC1=CC(OC(F)F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238329	1	39	-1.0	-60.30	325.46	3.85	-56.45
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C=C1C)C1=N[N-]N=N1	REAL300020238330	0	42	-1.0	-50.01	370.05	3.82	-46.19
CSCC[C@H](NC(=O)NC1=CC=C(OC(F)F)C=C1C)C1=NN=N[N-]1	REAL300020238330	1	42	-1.0	-50.01	370.11	3.84	-46.17
CC1=CC(OC(F)F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238331	0	39	-1.0	-47.90	326.91	3.87	-44.03
CC1=CC(OC(F)F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238331	1	39	-1.0	-47.91	326.99	3.88	-44.03
CC1=CC(OC(F)F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238332	0	45	-1.0	-54.60	349.35	5.71	-48.89
CC1=CC(OC(F)F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238332	1	45	-1.0	-54.60	349.40	5.71	-48.89
CC(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020238333	0	44	-1.0	-39.55	376.98	7.33	-32.22
CC(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020238333	1	44	-1.0	-39.56	376.92	7.31	-32.25
CC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020238334	0	44	-1.0	-40.88	358.97	6.87	-34.01
CC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020238334	1	44	-1.0	-40.83	359.03	6.88	-33.95
CC(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020238335	0	41	-1.0	-51.16	343.66	5.93	-45.23
CC(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020238335	1	41	-1.0	-51.21	343.71	5.96	-45.25
CSCC[C@H](NC(=O)NC1=CC=C(C(C)C)C=C1Cl)C1=N[N-]N=N1	REAL300020238336	0	44	-1.0	-44.45	387.20	5.91	-38.54
CSCC[C@H](NC(=O)NC1=CC=C(C(C)C)C=C1Cl)C1=NN=N[N-]1	REAL300020238336	1	44	-1.0	-44.47	387.25	5.93	-38.54
CC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020238337	0	41	-1.0	-41.11	345.01	6.00	-35.11
CC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020238337	1	41	-1.0	-41.07	345.09	6.01	-35.06
CC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020238338	0	47	-1.0	-47.21	366.57	7.83	-39.38
CC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020238338	1	47	-1.0	-47.20	366.63	7.83	-39.37
CCC1CCCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)S2	REAL300020238339	0	46	-2.0	-89.98	384.42	6.17	-83.81
CCC1CCCC2=C1N=C(NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)S2	REAL300020238339	1	47	-1.0	-40.39	387.68	7.37	-33.02
CCC1CCCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)S2	REAL300020238339	1	46	-2.0	-89.96	384.48	6.20	-83.76
CCC1CCCC2=C1N=C(NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)S2	REAL300020238339	1	47	-1.0	-40.37	387.74	7.40	-32.97
CCC1CCCC2=C1N=C(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)S2	REAL300020238340	0	47	-1.0	-42.25	368.61	6.92	-35.33
CCC1CCCC2=C1N=C(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)S2	REAL300020238340	1	47	-1.0	-42.22	368.67	6.93	-35.29
CCC1CCCC2=C1N=C(NC(=O)N1CCCC1C1=N[N-]N=N1)S2	REAL300020238341	0	44	-1.0	-50.05	353.04	5.99	-44.06
CCC1CCCC2=C1N=C(NC(=O)N1CCCC1C1=NN=N[N-]1)S2	REAL300020238341	1	44	-1.0	-50.04	353.10	6.02	-44.02
CCC1CCCC2=C1N=C(NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)S2	REAL300020238342	0	47	-1.0	-44.05	396.66	5.97	-38.08
CCC1CCCC2=C1N=C(NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)S2	REAL300020238342	1	47	-1.0	-44.09	396.71	5.98	-38.11
CCC1CCCC2=C1N=C(NC(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020238343	0	44	-1.0	-40.95	354.51	6.04	-34.91
CCC1CCCC2=C1N=C(NC(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020238343	1	44	-1.0	-40.97	354.58	6.06	-34.91
CCC1CCCC2=C1N=C(NC(=O)N1CCCCC1CC1=N[N-]N=N1)S2	REAL300020238344	0	50	-1.0	-46.43	376.94	7.79	-38.64
CCC1CCCC2=C1N=C(NC(=O)N1CCCCC1CC1=NN=N[N-]1)S2	REAL300020238344	1	50	-1.0	-46.44	376.97	7.80	-38.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCCNC(=O)C2=C1	REAL300020238345	0	46	-1.0	-53.39	379.40	3.85	-49.54
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCCNC(=O)C2=C1	REAL300020238345	1	46	-1.0	-53.36	379.34	3.83	-49.53
O=C(NC1=CC=C2CCCNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238346	0	46	-1.0	-47.13	360.42	3.33	-43.80
O=C(NC1=CC=C2CCCNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238346	1	46	-1.0	-47.14	360.47	3.34	-43.80
O=C(NC1=CC=C2CCCNC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238347	0	43	-1.0	-72.83	344.69	2.45	-70.38
O=C(NC1=CC=C2CCCNC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238347	1	43	-1.0	-72.86	344.75	2.47	-70.39
CSCC[C@H](NC(=O)NC1=CC=C2CCCNC(=O)C2=C1)C1=N[N-]N=N1	REAL300020238348	0	46	-1.0	-59.39	388.53	2.40	-56.99
CSCC[C@H](NC(=O)NC1=CC=C2CCCNC(=O)C2=C1)C1=NN=N[N-]1	REAL300020238348	1	46	-1.0	-59.42	388.58	2.42	-57.00
O=C(NC1=CC=C2CCCNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238349	0	43	-1.0	-54.70	346.08	2.50	-52.20
O=C(NC1=CC=C2CCCNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238349	1	43	-1.0	-54.70	346.15	2.51	-52.19
O=C(NC1=CC=C2CCCNC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238350	0	49	-1.0	-52.93	372.68	3.49	-49.44
O=C(NC1=CC=C2CCCNC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238350	1	49	-1.0	-52.92	372.75	3.50	-49.42
O=C(NC1=CC=C2CCN(C(=O)C3CCCC3)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238351	0	53	-1.0	-61.82	408.20	6.97	-54.85
O=C(NC1=CC=C2CCN(C(=O)C3CCCC3)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238351	1	53	-1.0	-61.79	408.26	6.98	-54.81
O=C(NC1=CC=C2CCN(C(=O)C3CCCC3)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238352	0	53	-1.0	-50.38	409.32	7.06	-43.32
O=C(NC1=CC=C2CCN(C(=O)C3CCCC3)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238352	1	53	-1.0	-50.39	409.40	7.06	-43.33
CC(C)(C)OC(=O)N1CCC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020238353	0	53	-1.0	-57.72	415.54	6.20	-51.52
CC(C)(C)OC(=O)N1CCC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020238353	1	53	-1.0	-57.74	415.60	6.21	-51.53
CC(C)(C)OC(=O)N1CCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020238354	0	53	-1.0	-47.21	416.63	6.27	-40.94
CC(C)(C)OC(=O)N1CCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020238354	1	53	-1.0	-47.22	416.70	6.29	-40.93
CCC1=CC(OC)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020238355	0	48	-1.0	-53.73	390.24	6.16	-47.57
CCC1=CC(OC)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020238355	1	48	-1.0	-53.68	390.19	6.14	-47.54
CCC1=CC(OC)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020238356	0	48	-1.0	-44.41	371.26	5.59	-38.82
CCC1=CC(OC)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020238356	1	48	-1.0	-44.46	371.32	5.60	-38.86
CCC1=CC(OC)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020238357	0	45	-1.0	-54.75	354.68	4.70	-50.05
CCC1=CC(OC)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020238357	1	45	-1.0	-54.72	354.74	4.71	-50.01
CCC1=CC(OC)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020238358	0	48	-1.0	-48.81	398.20	4.66	-44.15
CCC1=CC(OC)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020238358	1	48	-1.0	-48.77	398.26	4.68	-44.09
CCC1=CC(OC)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020238359	0	45	-1.0	-44.44	356.06	4.77	-39.67
CCC1=CC(OC)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020238359	1	45	-1.0	-44.40	356.14	4.78	-39.62
CCC1=CC(OC)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020238360	0	51	-1.0	-51.03	380.02	6.54	-44.49
CCC1=CC(OC)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020238360	1	51	-1.0	-50.98	380.07	6.54	-44.44
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020238361	0	44	-1.0	-43.58	373.37	6.24	-37.34
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020238361	1	44	-1.0	-43.57	373.42	6.25	-37.32
CCOC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020238362	0	41	-1.0	-58.26	357.69	5.37	-52.89
CCOC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020238362	1	41	-1.0	-58.28	357.75	5.39	-52.89
CCOC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Cl	REAL300020238363	0	44	-1.0	-51.67	401.50	5.30	-46.37
CCOC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Cl	REAL300020238363	1	44	-1.0	-51.73	401.55	5.32	-46.41
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020238364	0	41	-1.0	-47.81	359.32	5.40	-42.41
CCOC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020238364	1	41	-1.0	-47.81	359.39	5.40	-42.41
CCOC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020238365	0	47	-1.0	-39.60	385.77	6.43	-33.17
CCOC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020238365	1	47	-1.0	-39.65	385.81	6.44	-33.21
CN(C)S(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020238366	0	49	-1.0	-52.74	403.62	3.04	-49.70
CN(C)S(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020238366	1	49	-1.0	-52.78	403.67	3.05	-49.73
CN(C)S(=O)(=O)CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020238367	0	46	-1.0	-60.24	388.07	2.10	-58.14
CN(C)S(=O)(=O)CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020238367	1	46	-1.0	-60.23	388.13	2.12	-58.11
CN(C)S(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020238368	0	46	-1.0	-52.13	389.19	2.19	-49.94
CN(C)S(=O)(=O)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020238368	1	46	-1.0	-52.14	389.26	2.20	-49.94
O=C(NC1=CC=C(OCCF)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238369	0	42	-1.0	-50.37	361.12	5.16	-45.21
O=C(NC1=CC=C(OCCF)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238369	1	42	-1.0	-50.36	361.06	5.13	-45.23
O=C(NC1=CC=C(OCCF)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238370	0	42	-1.0	-45.72	340.56	4.70	-41.02
O=C(NC1=CC=C(OCCF)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238370	1	42	-1.0	-45.71	340.61	4.71	-41.00
O=C(NC1=CC=C(OCCF)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238371	0	39	-1.0	-59.73	326.42	3.75	-55.98
O=C(NC1=CC=C(OCCF)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238371	1	39	-1.0	-59.72	326.48	3.77	-55.95
CSCC[C@H](NC(=O)NC1=CC=C(OCCF)C=C1)C1=N[N-]N=N1	REAL300020238372	0	42	-1.0	-49.70	370.24	3.68	-46.02
CSCC[C@H](NC(=O)NC1=CC=C(OCCF)C=C1)C1=NN=N[N-]1	REAL300020238372	1	42	-1.0	-49.67	370.30	3.69	-45.98
O=C(NC1=CC=C(OCCF)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238373	0	39	-1.0	-45.58	328.13	3.78	-41.80
O=C(NC1=CC=C(OCCF)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238373	1	39	-1.0	-45.56	328.20	3.79	-41.77
O=C(NC1=CC=C(OCCF)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238374	0	45	-1.0	-51.61	350.00	5.55	-46.06
O=C(NC1=CC=C(OCCF)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238374	1	45	-1.0	-51.63	350.05	5.56	-46.07
COC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2S1	REAL300020238375	0	44	-1.0	-44.55	377.08	6.40	-38.15
COC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2S1	REAL300020238375	1	44	-1.0	-44.55	377.13	6.42	-38.13
COC(=O)C1=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2S1	REAL300020238376	0	41	-1.0	-52.81	361.79	5.47	-47.34
COC(=O)C1=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2S1	REAL300020238376	1	41	-1.0	-52.80	361.84	5.48	-47.32
COC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2S1	REAL300020238377	0	41	-1.0	-44.59	362.91	5.57	-39.02
COC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2S1	REAL300020238377	1	41	-1.0	-44.66	362.98	5.57	-39.09
COC1=CC=C2SC([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NC2=C1	REAL300020238378	0	40	-2.0	-90.11	361.09	3.46	-86.65
COC1=CC=C2SC([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NC2=C1	REAL300020238378	1	40	-2.0	-90.14	361.03	3.43	-86.71
COC1=CC=C2SC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NC2=C1	REAL300020238378	1	41	-1.0	-43.02	364.35	4.65	-38.37
COC1=CC=C2SC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NC2=C1	REAL300020238378	1	41	-1.0	-43.00	364.29	4.62	-38.38
COC1=CC=C2SC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC2=C1	REAL300020238379	0	41	-1.0	-44.90	345.19	4.19	-40.71
COC1=CC=C2SC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC2=C1	REAL300020238379	1	41	-1.0	-44.85	345.13	4.17	-40.68
COC1=CC=C2SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC2=C1	REAL300020238379	1	40	-2.0	-92.46	344.14	3.35	-89.11
COC1=CC=C2SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC2=C1	REAL300020238379	1	40	-2.0	-92.46	344.08	3.33	-89.13
COC1=CC=C2SC(NC(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020238380	0	38	-1.0	-51.66	329.71	3.26	-48.40
COC1=CC=C2SC(NC(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020238380	1	38	-1.0	-51.70	329.65	3.25	-48.45
COC1=CC=C2SC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020238380	1	37	-2.0	-112.21	328.25	2.20	-110.01
COC1=CC=C2SC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020238380	1	37	-2.0	-112.18	328.31	2.23	-109.95
COC1=CC=C2SC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=NC2=C1	REAL300020238381	0	41	-1.0	-45.95	373.33	3.23	-42.72
COC1=CC=C2SC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=NC2=C1	REAL300020238381	1	41	-1.0	-45.96	373.27	3.21	-42.75
COC1=CC=C2SC([N-]C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=NC2=C1	REAL300020238381	1	40	-2.0	-103.04	370.02	2.03	-101.01
COC1=CC=C2SC([N-]C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=NC2=C1	REAL300020238381	1	40	-2.0	-103.01	370.08	2.04	-100.97
COC1=CC=C2SC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020238382	0	38	-1.0	-43.20	331.18	3.32	-39.88
COC1=CC=C2SC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020238382	1	38	-1.0	-43.17	331.11	3.30	-39.87
COC1=CC=C2SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020238382	1	37	-2.0	-92.23	329.08	2.27	-89.96
COC1=CC=C2SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020238382	1	37	-2.0	-92.23	329.00	2.25	-89.98
COC1=CC=C2SC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=NC2=C1	REAL300020238383	0	44	-1.0	-48.11	353.48	5.05	-43.06
COC1=CC=C2SC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=NC2=C1	REAL300020238383	1	44	-1.0	-48.13	353.45	5.04	-43.09
COC1=CC=C2SC([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)=NC2=C1	REAL300020238383	1	43	-2.0	-96.51	357.37	3.92	-92.59
COC1=CC=C2SC([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)=NC2=C1	REAL300020238383	1	43	-2.0	-96.51	357.31	3.89	-92.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C(=O)C(F)(F)F)=C1	REAL300020238384	0	40	-1.0	-61.71	362.12	5.55	-56.16
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C(=O)C(F)(F)F)=C1	REAL300020238384	1	40	-1.0	-61.69	362.18	5.57	-56.12
O=C(NC1=CC=CC(C(=O)C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238385	0	40	-1.0	-41.97	343.42	5.03	-36.94
O=C(NC1=CC=CC(C(=O)C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238385	1	40	-1.0	-42.02	343.48	5.04	-36.98
O=C(NC1=CC=CC(C(=O)C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238386	0	37	-1.0	-63.05	327.37	4.21	-58.84
O=C(NC1=CC=CC(C(=O)C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238386	1	37	-1.0	-63.09	327.43	4.23	-58.86
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020238387	0	40	-1.0	-50.30	370.89	4.17	-46.13
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020238387	1	40	-1.0	-50.25	370.95	4.19	-46.06
O=C(NC1=CC=CC(C(=O)C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238388	0	37	-1.0	-49.10	328.73	4.27	-44.83
O=C(NC1=CC=CC(C(=O)C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238388	1	37	-1.0	-49.12	328.80	4.27	-44.85
O=C(NC1=CC=CC(C(=O)C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238389	0	43	-1.0	-45.74	351.02	5.99	-39.75
O=C(NC1=CC=CC(C(=O)C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238389	1	43	-1.0	-45.70	351.08	6.01	-39.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(Cl)=C1OC(F)F	REAL300020238390	0	39	-1.0	-42.13	358.48	5.31	-36.82
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(Cl)=C1OC(F)F	REAL300020238390	1	39	-1.0	-42.10	358.54	5.34	-36.76
O=C(NC1=CC=CC(Cl)=C1OC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238391	0	39	-1.0	-43.71	339.64	4.84	-38.87
O=C(NC1=CC=CC(Cl)=C1OC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238391	1	39	-1.0	-43.70	339.70	4.85	-38.85
O=C(NC1=CC=CC(Cl)=C1OC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020238392	0	36	-1.0	-53.53	324.99	3.92	-49.61
O=C(NC1=CC=CC(Cl)=C1OC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020238392	1	36	-1.0	-53.53	325.05	3.93	-49.60
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1OC(F)F)C1=N[N-]N=N1	REAL300020238393	0	39	-1.0	-46.13	368.67	3.88	-42.25
CSCC[C@H](NC(=O)NC1=CC=CC(Cl)=C1OC(F)F)C1=NN=N[N-]1	REAL300020238393	1	39	-1.0	-46.17	368.73	3.89	-42.28
O=C(NC1=CC=CC(Cl)=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020238394	0	36	-1.0	-44.03	326.42	3.96	-40.07
O=C(NC1=CC=CC(Cl)=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020238394	1	36	-1.0	-43.99	326.49	3.97	-40.02
O=C(NC1=CC=CC(Cl)=C1OC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020238395	0	42	-1.0	-42.71	352.95	4.96	-37.75
O=C(NC1=CC=CC(Cl)=C1OC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020238395	1	42	-1.0	-42.71	353.00	4.97	-37.74
O=C(NC1=CC=C(F)C(F)=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238396	0	35	-1.0	-39.25	315.35	5.16	-34.09
O=C(NC1=CC=C(F)C(F)=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238396	1	35	-1.0	-39.25	315.40	5.17	-34.08
O=C(NC1=CC=C(F)C(F)=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020238397	0	32	-1.0	-45.29	299.59	4.27	-41.02
O=C(NC1=CC=C(F)C(F)=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020238397	1	32	-1.0	-45.30	299.65	4.29	-41.01
O=C(NC1=CC=C(F)C(F)=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020238398	0	32	-1.0	-38.96	300.98	4.31	-34.65
O=C(NC1=CC=C(F)C(F)=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020238398	1	32	-1.0	-38.97	301.06	4.32	-34.65
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(S(N)(=O)=O)=C1	REAL300020238399	0	43	-1.0	-54.31	378.88	0.38	-53.93
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(S(N)(=O)=O)=C1	REAL300020238399	1	43	-1.0	-54.31	378.82	0.36	-53.95
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(S(N)(=O)=O)=C1	REAL300020238400	0	43	-1.0	-48.19	359.62	-0.09	-48.28
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(S(N)(=O)=O)=C1	REAL300020238400	1	43	-1.0	-48.21	359.68	-0.08	-48.29
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(S(N)(=O)=O)=C1	REAL300020238401	0	40	-1.0	-58.59	344.39	-1.01	-59.60
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(S(N)(=O)=O)=C1	REAL300020238401	1	40	-1.0	-58.59	344.45	-0.99	-59.58
CSCC[C@H](NC(=O)NC1=CC(C)=CC(S(N)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020238402	0	43	-1.0	-58.21	387.85	-1.05	-59.26
CSCC[C@H](NC(=O)NC1=CC(C)=CC(S(N)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020238402	1	43	-1.0	-58.18	387.91	-1.03	-59.21
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(S(N)(=O)=O)=C1	REAL300020238403	0	40	-1.0	-54.15	345.48	-0.92	-55.07
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(S(N)(=O)=O)=C1	REAL300020238403	1	40	-1.0	-54.15	345.55	-0.92	-55.07
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(S(N)(=O)=O)=C1	REAL300020238404	0	46	-1.0	-48.42	372.13	0.05	-48.37
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(S(N)(=O)=O)=C1	REAL300020238404	1	46	-1.0	-48.41	372.17	0.06	-48.35
CC1=NC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)=NO1	REAL300020238405	0	43	-1.0	-46.03	375.44	4.13	-41.90
CC1=NC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=NO1	REAL300020238405	1	43	-1.0	-46.04	375.39	4.11	-41.93
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=NO1	REAL300020238406	0	43	-1.0	-47.92	355.07	3.67	-44.25
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=NO1	REAL300020238406	1	43	-1.0	-47.96	355.01	3.66	-44.30
CC1=NC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=NO1	REAL300020238407	0	40	-1.0	-57.65	341.06	2.72	-54.93
CC1=NC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=NO1	REAL300020238407	1	40	-1.0	-57.65	341.00	2.70	-54.95
CSCC[C@H](NC(=O)NC1=CC=C(C2=NOC(C)=N2)C=C1)C1=NN=N[N-]1	REAL300020238408	0	43	-1.0	-53.50	384.58	2.69	-50.81
CSCC[C@H](NC(=O)NC1=CC=C(C2=NOC(C)=N2)C=C1)C1=N[N-]N=N1	REAL300020238408	1	43	-1.0	-53.47	384.52	2.67	-50.80
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=NO1	REAL300020238409	0	40	-1.0	-48.61	342.46	2.76	-45.85
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=NO1	REAL300020238409	1	40	-1.0	-48.61	342.39	2.75	-45.86
CC1=NC(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=NO1	REAL300020238410	0	46	-1.0	-45.25	368.77	3.79	-41.46
CC1=NC(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=NO1	REAL300020238410	1	46	-1.0	-45.22	368.73	3.77	-41.45
CC1=CC(C(F)(F)F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238411	0	41	-1.0	-43.51	360.32	6.72	-36.79
CC1=CC(C(F)(F)F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238411	1	41	-1.0	-43.51	360.26	6.69	-36.82
CC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238412	0	41	-1.0	-42.96	340.76	6.17	-36.79
CC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238412	1	41	-1.0	-42.92	340.82	6.18	-36.74
CC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238413	0	38	-1.0	-53.13	325.19	5.28	-47.85
CC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238413	1	38	-1.0	-53.06	325.25	5.30	-47.76
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C=C1C)C1=N[N-]N=N1	REAL300020238414	0	41	-1.0	-44.27	368.88	5.22	-39.05
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C=C1C)C1=NN=N[N-]1	REAL300020238414	1	41	-1.0	-44.32	368.94	5.23	-39.09
CC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238415	0	38	-1.0	-42.68	326.70	5.32	-37.36
CC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238415	1	38	-1.0	-42.66	326.78	5.34	-37.32
CC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238416	0	44	-1.0	-48.23	348.81	7.13	-41.10
CC1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238416	1	44	-1.0	-48.25	348.86	7.13	-41.12
O=C(NC1=NN2CCCC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238417	0	39	-1.0	-46.20	328.81	4.34	-41.86
O=C(NC1=NN2CCCC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238417	1	39	-1.0	-46.21	328.75	4.32	-41.89
O=C(NC1=NN2CCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238418	0	39	-1.0	-48.29	309.59	3.85	-44.44
O=C(NC1=NN2CCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238418	1	39	-1.0	-48.30	309.64	3.87	-44.43
CSCC[C@H](NC(=O)NC1=NN2CCCC2=C1)C1=N[N-]N=N1	REAL300020238419	0	39	-1.0	-51.06	337.73	2.90	-48.16
CSCC[C@H](NC(=O)NC1=NN2CCCC2=C1)C1=NN=N[N-]1	REAL300020238419	1	39	-1.0	-51.07	337.78	2.92	-48.15
O=C(NC1=NN2CCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238420	0	42	-1.0	-53.57	317.57	4.74	-48.83
O=C(NC1=NN2CCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238420	1	42	-1.0	-53.57	317.61	4.75	-48.82
CC1=CC(Br)=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238421	0	38	-1.0	-40.38	330.19	5.67	-34.71
CC1=CC(Br)=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238421	1	38	-1.0	-40.40	330.24	5.68	-34.72
CC1=CC(Br)=C(F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238422	0	35	-1.0	-48.76	316.41	4.76	-44.00
CC1=CC(Br)=C(F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238422	1	35	-1.0	-48.77	316.47	4.78	-43.99
CC1=CC(Br)=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238423	0	35	-1.0	-40.67	317.78	4.82	-35.85
CC1=CC(Br)=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238423	1	35	-1.0	-40.68	317.85	4.83	-35.85
CC1=CC(Br)=C(F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238424	0	41	-1.0	-45.90	339.40	6.65	-39.25
CC1=CC(Br)=C(F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238424	1	41	-1.0	-45.90	339.44	6.65	-39.25
COC(=O)C1=CC2=NC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2C=C1	REAL300020238425	0	44	-1.0	-47.47	384.64	6.86	-40.61
COC(=O)C1=CC2=NC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2C=C1	REAL300020238425	1	44	-1.0	-47.43	384.58	6.84	-40.59
COC(=O)C1=CC2=NC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)N2C=C1	REAL300020238426	0	44	-1.0	-48.82	365.46	6.38	-42.44
COC(=O)C1=CC2=NC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)N2C=C1	REAL300020238426	1	44	-1.0	-48.80	365.40	6.37	-42.43
COC(=O)C1=CC2=NC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)N2C=C1	REAL300020238427	0	41	-1.0	-59.55	350.03	5.47	-54.08
COC(=O)C1=CC2=NC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)N2C=C1	REAL300020238427	1	41	-1.0	-59.50	349.98	5.45	-54.05
COC(=O)C1=CC2=NC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N2C=C1	REAL300020238428	0	44	-1.0	-52.11	393.63	5.44	-46.67
COC(=O)C1=CC2=NC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N2C=C1	REAL300020238428	1	44	-1.0	-52.09	393.57	5.42	-46.67
COC(=O)C1=CC2=NC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)N2C=C1	REAL300020238429	0	41	-1.0	-49.41	351.50	5.51	-43.90
COC(=O)C1=CC2=NC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)N2C=C1	REAL300020238429	1	41	-1.0	-49.41	351.43	5.50	-43.91
COC(=O)C1=CC2=NC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)N2C=C1	REAL300020238430	0	47	-1.0	-57.06	373.44	7.25	-49.81
COC(=O)C1=CC2=NC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)N2C=C1	REAL300020238430	1	47	-1.0	-57.03	373.40	7.25	-49.78
COC(=O)C1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238431	0	41	-1.0	-61.28	362.52	5.55	-55.73
COC(=O)C1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238431	1	41	-1.0	-61.26	362.47	5.53	-55.73
COC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238432	0	41	-1.0	-48.79	344.90	5.06	-43.73
COC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238432	1	41	-1.0	-48.77	344.96	5.07	-43.70
COC(=O)C1=CC=C(F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238433	0	38	-1.0	-62.40	329.20	4.15	-58.25
COC(=O)C1=CC=C(F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238433	1	38	-1.0	-62.40	329.26	4.18	-58.22
COC(=O)C1=CC=C(F)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020238434	0	41	-1.0	-54.66	371.89	4.11	-50.55
COC(=O)C1=CC=C(F)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020238434	1	41	-1.0	-54.70	371.95	4.13	-50.57
COC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238435	0	38	-1.0	-48.81	330.54	4.21	-44.60
COC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238435	1	38	-1.0	-48.80	330.61	4.22	-44.58
COC(=O)C1=CC=C(F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238436	0	44	-1.0	-53.87	352.44	5.94	-47.93
COC(=O)C1=CC=C(F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238436	1	44	-1.0	-53.78	352.50	5.94	-47.84
COC1=CC=C(Br)C(F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238437	0	39	-1.0	-47.20	337.37	4.30	-42.90
COC1=CC=C(Br)C(F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238437	1	39	-1.0	-47.23	337.43	4.32	-42.91
COC1=CC=C(Br)C(F)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238438	0	36	-1.0	-55.65	329.13	3.52	-52.13
COC1=CC=C(Br)C(F)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238438	1	36	-1.0	-55.66	329.18	3.55	-52.11
COC1=CC=C(Br)C(F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238439	0	36	-1.0	-47.54	330.51	3.56	-43.98
COC1=CC=C(Br)C(F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238439	1	36	-1.0	-47.59	330.59	3.57	-44.02
CN1N=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(F)F	REAL300020238440	0	37	-1.0	-49.93	328.43	3.20	-46.73
CN1N=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(F)F	REAL300020238440	1	37	-1.0	-49.94	328.38	3.18	-46.76
CN1N=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(F)F	REAL300020238441	0	37	-1.0	-54.18	315.18	2.71	-51.47
CN1N=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(F)F	REAL300020238441	1	37	-1.0	-54.19	315.24	2.73	-51.46
CN1N=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(F)F	REAL300020238442	0	34	-1.0	-63.31	293.74	1.82	-61.49
CN1N=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(F)F	REAL300020238442	1	34	-1.0	-63.29	293.80	1.82	-61.47
CSCC[C@H](NC(=O)NC1=C(C(F)F)N(C)N=N1)C1=N[N-]N=N1	REAL300020238443	0	37	-1.0	-57.12	338.54	1.80	-55.32
CSCC[C@H](NC(=O)NC1=C(C(F)F)N(C)N=N1)C1=NN=N[N-]1	REAL300020238443	1	37	-1.0	-57.13	338.59	1.82	-55.31
CN1N=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)F	REAL300020238444	0	34	-1.0	-52.44	295.21	1.86	-50.58
CN1N=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)F	REAL300020238444	1	34	-1.0	-52.48	295.29	1.88	-50.60
CN1N=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(F)F	REAL300020238445	0	40	-1.0	-62.64	323.62	3.58	-59.06
CN1N=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(F)F	REAL300020238445	1	40	-1.0	-62.64	323.67	3.60	-59.04
CC(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020238446	0	46	-1.0	-41.57	377.42	5.60	-35.97
CC(C)(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020238446	1	46	-1.0	-41.53	377.36	5.58	-35.95
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020238447	0	46	-1.0	-46.63	358.30	5.07	-41.56
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020238447	1	46	-1.0	-46.64	358.24	5.05	-41.59
CC(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020238448	0	43	-1.0	-51.99	342.92	4.23	-47.76
CC(C)(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020238448	1	43	-1.0	-52.02	342.87	4.21	-47.81
CSCC[C@H](NC(=O)NC1=CC=C(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020238449	0	46	-1.0	-45.86	386.24	4.21	-41.65
CSCC[C@H](NC(=O)NC1=CC=C(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020238449	1	46	-1.0	-45.89	386.18	4.20	-41.69
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020238450	0	43	-1.0	-43.14	344.33	4.29	-38.85
CC(C)(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020238450	1	43	-1.0	-43.13	344.25	4.28	-38.85
CC(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020238451	0	49	-1.0	-41.63	373.12	5.29	-36.34
CC(C)(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020238451	1	49	-1.0	-41.87	372.64	5.26	-36.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(C=N1)CCCCC2	REAL300020238452	0	47	-1.0	-45.84	377.45	7.46	-38.38
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(C=N1)CCCCC2	REAL300020238452	1	47	-1.0	-45.86	377.39	7.44	-38.42
O=C(NC1=CC2=C(C=N1)CCCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238453	0	47	-1.0	-43.07	355.36	6.35	-36.72
O=C(NC1=CC2=C(C=N1)CCCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238453	1	47	-1.0	-43.06	355.42	6.36	-36.70
O=C(NC1=CC2=C(C=N1)CCCCC2)N1CCCC1C1=N[N-]N=N1	REAL300020238454	0	44	-1.0	-60.10	342.87	6.05	-54.05
O=C(NC1=CC2=C(C=N1)CCCCC2)N1CCCC1C1=NN=N[N-]1	REAL300020238454	1	44	-1.0	-60.13	342.93	6.08	-54.05
CSCC[C@H](NC(=O)NC1=CC2=C(C=N1)CCCCC2)C1=N[N-]N=N1	REAL300020238455	0	47	-1.0	-52.24	386.39	6.02	-46.22
CSCC[C@H](NC(=O)NC1=CC2=C(C=N1)CCCCC2)C1=NN=N[N-]1	REAL300020238455	1	47	-1.0	-52.21	386.45	6.04	-46.17
O=C(NC1=CC2=C(C=N1)CCCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020238456	0	44	-1.0	-48.90	344.24	6.13	-42.77
O=C(NC1=CC2=C(C=N1)CCCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020238456	1	44	-1.0	-48.90	344.31	6.14	-42.76
O=C(NC1=CC2=C(C=N1)CCCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020238457	0	50	-1.0	-49.20	361.40	7.29	-41.91
O=C(NC1=CC2=C(C=N1)CCCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020238457	1	50	-1.0	-49.21	361.43	7.31	-41.90
COCC(=O)N1CCCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020238458	0	53	-1.0	-54.08	410.03	6.01	-48.07
COCC(=O)N1CCCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020238458	1	53	-1.0	-54.13	410.09	6.02	-48.11
COCC(=O)N1CCCC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020238459	0	50	-1.0	-66.24	394.53	4.95	-61.29
COCC(=O)N1CCCC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020238459	1	50	-1.0	-66.24	394.59	4.97	-61.27
COCC(=O)N1CCCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020238460	0	50	-1.0	-53.70	395.69	5.02	-48.68
COCC(=O)N1CCCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020238460	1	50	-1.0	-53.76	395.77	5.04	-48.72
O=C(NC1=CC=NN1C1CCCOC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238461	0	46	-1.0	-42.02	377.88	4.57	-37.45
O=C(NC1=CC=NN1C1CCCOC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238461	1	46	-1.0	-42.01	377.82	4.55	-37.46
O=C(NC1=CC=NN1C1CCCOC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238462	0	46	-1.0	-43.60	358.69	4.10	-39.50
O=C(NC1=CC=NN1C1CCCOC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238462	1	46	-1.0	-43.57	358.63	4.09	-39.48
O=C(NC1=CC=NN1C1CCCOC1)N1CCCC1C1=NN=N[N-]1	REAL300020238463	0	43	-1.0	-52.35	343.24	3.19	-49.16
O=C(NC1=CC=NN1C1CCCOC1)N1CCCC1C1=N[N-]N=N1	REAL300020238463	1	43	-1.0	-52.35	343.18	3.17	-49.18
CSCC[C@H](NC(=O)NC1=CC=NN1C1CCCOC1)C1=NN=N[N-]1	REAL300020238464	0	46	-1.0	-46.26	386.86	3.15	-43.11
CSCC[C@H](NC(=O)NC1=CC=NN1C1CCCOC1)C1=N[N-]N=N1	REAL300020238464	1	46	-1.0	-46.23	386.80	3.13	-43.10
O=C(NC1=CC=NN1C1CCCOC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238465	0	43	-1.0	-43.14	344.73	3.24	-39.90
O=C(NC1=CC=NN1C1CCCOC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238465	1	43	-1.0	-43.15	344.66	3.23	-39.92
O=C(NC1=CC=NN1C1CCCOC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238466	0	49	-1.0	-49.03	366.66	4.96	-44.07
O=C(NC1=CC=NN1C1CCCOC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238466	1	49	-1.0	-49.00	366.62	4.96	-44.04
O=C(NC1=CC=NN1C1CCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238467	0	42	-1.0	-42.51	351.19	5.69	-36.82
O=C(NC1=CC=NN1C1CCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238467	1	42	-1.0	-42.54	351.13	5.67	-36.87
O=C(NC1=CC=NN1C1CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238468	0	42	-1.0	-44.01	331.99	5.22	-38.79
O=C(NC1=CC=NN1C1CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238468	1	42	-1.0	-44.01	331.94	5.21	-38.80
O=C(NC1=CC=NN1C1CCC1)N1CCCC1C1=NN=N[N-]1	REAL300020238469	0	39	-1.0	-53.91	316.55	4.33	-49.58
O=C(NC1=CC=NN1C1CCC1)N1CCCC1C1=N[N-]N=N1	REAL300020238469	1	39	-1.0	-53.93	316.50	4.31	-49.62
CSCC[C@H](NC(=O)NC1=CC=NN1C1CCC1)C1=NN=N[N-]1	REAL300020238470	0	42	-1.0	-47.29	358.09	4.37	-42.92
CSCC[C@H](NC(=O)NC1=CC=NN1C1CCC1)C1=N[N-]N=N1	REAL300020238470	1	42	-1.0	-47.28	358.03	4.35	-42.93
O=C(NC1=CC=NN1C1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238471	0	39	-1.0	-44.26	318.03	4.36	-39.90
O=C(NC1=CC=NN1C1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238471	1	39	-1.0	-44.24	317.96	4.35	-39.89
O=C(NC1=CC=NN1C1CCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238472	0	45	-1.0	-51.21	340.56	6.20	-45.01
O=C(NC1=CC=NN1C1CCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238472	1	45	-1.0	-51.22	340.50	6.20	-45.02
O=C([N-]C1=NC(C(F)F)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238473	0	33	-2.0	-84.25	318.38	2.63	-81.62
O=C([N-]C1=NC(C(F)F)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238473	1	33	-2.0	-84.20	318.33	2.61	-81.59
O=C(NC1=NC(C(F)F)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238473	1	34	-1.0	-40.98	321.63	3.84	-37.14
O=C(NC1=NC(C(F)F)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238473	1	34	-1.0	-40.96	321.58	3.81	-37.15
O=C(NC1=NC(C(F)F)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238474	0	34	-1.0	-41.95	302.38	3.36	-38.59
O=C(NC1=NC(C(F)F)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238474	1	34	-1.0	-41.93	302.44	3.38	-38.55
O=C([N-]C1=NC(C(F)F)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238474	1	33	-2.0	-83.51	302.16	2.47	-81.04
O=C([N-]C1=NC(C(F)F)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238474	1	33	-2.0	-83.51	302.21	2.49	-81.02
O=C(NC1=NC(C(F)F)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020238475	0	31	-1.0	-46.96	287.74	2.39	-44.57
O=C(NC1=NC(C(F)F)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020238475	1	31	-1.0	-46.92	287.80	2.42	-44.50
O=C([N-]C1=NC(C(F)F)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020238475	1	30	-2.0	-102.41	286.34	1.35	-101.06
O=C([N-]C1=NC(C(F)F)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020238475	1	30	-2.0	-102.41	286.40	1.37	-101.04
CSCC[C@H](NC(=O)NC1=NC(C(F)F)=CS1)C1=N[N-]N=N1	REAL300020238476	0	34	-1.0	-42.59	330.56	2.41	-40.18
CSCC[C@H](NC(=O)NC1=NC(C(F)F)=CS1)C1=NN=N[N-]1	REAL300020238476	1	34	-1.0	-42.56	330.62	2.42	-40.14
CSCC[C@H](NC(=O)[N-]C1=NC(C(F)F)=CS1)C1=N[N-]N=N1	REAL300020238476	1	33	-2.0	-93.62	328.11	1.17	-92.45
O=C(NC1=NC(C(F)F)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238477	0	31	-1.0	-40.88	288.41	2.48	-38.40
O=C(NC1=NC(C(F)F)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238477	1	31	-1.0	-40.92	288.48	2.50	-38.42
O=C([N-]C1=NC(C(F)F)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238477	1	30	-2.0	-83.55	287.11	1.41	-82.14
O=C([N-]C1=NC(C(F)F)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238477	1	30	-2.0	-83.53	287.19	1.42	-82.11
O=C(NC1=NC(C(F)F)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238478	0	37	-1.0	-43.39	311.44	4.18	-39.21
O=C(NC1=NC(C(F)F)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238478	1	37	-1.0	-43.36	311.49	4.19	-39.17
O=C([N-]C1=NC(C(F)F)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238478	1	36	-2.0	-99.43	310.76	3.46	-95.97
O=C([N-]C1=NC(C(F)F)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238478	1	36	-2.0	-99.41	310.80	3.47	-95.94
O=C(NC1=CN(CC2=CC=CC(F)=C2)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238479	0	48	-1.0	-54.00	394.03	6.97	-47.03
O=C(NC1=CN(CC2=CC=CC(F)=C2)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238479	1	48	-1.0	-54.00	394.09	6.99	-47.01
O=C(NC1=CN(CC2=CC=CC(F)=C2)C(=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238480	0	45	-1.0	-58.97	383.29	6.20	-52.77
O=C(NC1=CN(CC2=CC=CC(F)=C2)C(=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238480	1	45	-1.0	-58.99	383.35	6.21	-52.78
O=C(NC1=CN(CC2=CC=CC(F)=C2)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238481	0	45	-1.0	-49.18	384.79	6.24	-42.94
O=C(NC1=CN(CC2=CC=CC(F)=C2)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238481	1	45	-1.0	-49.17	384.87	6.25	-42.92
O=C(NC1=CN(CC2=CC=C(Cl)C=C2)C(=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238482	0	45	-1.0	-61.04	393.71	6.65	-54.39
O=C(NC1=CN(CC2=CC=C(Cl)C=C2)C(=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238482	1	45	-1.0	-61.09	393.77	6.67	-54.42
O=C(NC1=CN(CC2=CC=C(Cl)C=C2)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238483	0	45	-1.0	-50.84	395.11	6.69	-44.15
O=C(NC1=CN(CC2=CC=C(Cl)C=C2)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238483	1	45	-1.0	-50.84	395.19	6.70	-44.14
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020238484	0	49	-2.0	-93.69	406.18	6.49	-87.20
CC(C)C1CCC2=C(C1)SC(NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020238484	1	50	-1.0	-53.62	409.43	7.69	-45.93
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020238484	1	49	-2.0	-93.71	406.23	6.51	-87.20
CC(C)C1CCC2=C(C1)SC(NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020238484	1	50	-1.0	-53.60	409.49	7.71	-45.89
CC(C)C1CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)=N2	REAL300020238485	0	50	-1.0	-47.50	390.24	7.22	-40.28
CC(C)C1CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)=N2	REAL300020238485	1	50	-1.0	-47.53	390.30	7.24	-40.29
CC(C)C1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020238486	0	47	-1.0	-59.74	374.77	6.31	-53.43
CC(C)C1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=NN=N[N-]1)=N2	REAL300020238486	1	47	-1.0	-59.73	374.83	6.32	-53.41
CSCC[C@H](NC(=O)NC1=NC2=C(CC(C(C)C)CC2)S1)C1=N[N-]N=N1	REAL300020238487	0	50	-1.0	-51.76	418.41	6.27	-45.49
CSCC[C@H](NC(=O)NC1=NC2=C(CC(C(C)C)CC2)S1)C1=NN=N[N-]1	REAL300020238487	1	50	-1.0	-51.78	418.46	6.29	-45.49
CC(C)C1CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020238488	0	47	-1.0	-48.12	376.25	6.36	-41.76
CC(C)C1CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020238488	1	47	-1.0	-48.13	376.33	6.37	-41.76
CC(C)C1CCC2=C(C1)SC(NC(=O)N1CCCCC1CC1=N[N-]N=N1)=N2	REAL300020238489	0	53	-1.0	-55.27	398.71	8.08	-47.19
CC(C)C1CCC2=C(C1)SC(NC(=O)N1CCCCC1CC1=NN=N[N-]1)=N2	REAL300020238489	1	53	-1.0	-55.24	398.76	8.10	-47.14
COC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CN=C1F	REAL300020238490	0	38	-1.0	-40.15	335.90	2.47	-37.68
COC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CN=C1F	REAL300020238490	1	38	-1.0	-40.17	335.84	2.45	-37.72
COC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CN=C1F	REAL300020238491	0	38	-1.0	-41.67	318.31	1.96	-39.71
COC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CN=C1F	REAL300020238491	1	38	-1.0	-41.69	318.25	1.94	-39.75
COC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CN=C1F	REAL300020238492	0	35	-1.0	-48.07	302.54	1.08	-46.99
COC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CN=C1F	REAL300020238492	1	35	-1.0	-48.06	302.48	1.07	-46.99
COC1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CN=C1F	REAL300020238493	0	38	-1.0	-42.58	346.10	1.05	-41.53
COC1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CN=C1F	REAL300020238493	1	38	-1.0	-42.65	346.04	1.03	-41.62
COC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CN=C1F	REAL300020238494	0	35	-1.0	-40.74	303.96	1.12	-39.62
COC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CN=C1F	REAL300020238494	1	35	-1.0	-40.76	303.89	1.12	-39.64
COC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CN=C1F	REAL300020238495	0	41	-1.0	-44.57	325.18	2.88	-41.69
COC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CN=C1F	REAL300020238495	1	41	-1.0	-44.62	325.12	2.86	-41.76
O=C(NC1=CC=NN1C1CCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238496	0	42	-1.0	-42.51	351.19	5.69	-36.82
O=C(NC1=CC=NN1C1CCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238496	1	42	-1.0	-42.54	351.13	5.67	-36.87
O=C(NC1=CC=NN1C1CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238497	0	42	-1.0	-44.01	331.99	5.22	-38.79
O=C(NC1=CC=NN1C1CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238497	1	42	-1.0	-44.01	331.94	5.21	-38.80
O=C(NC1=CC=NN1C1CCC1)N1CCCC1C1=NN=N[N-]1	REAL300020238498	0	39	-1.0	-53.91	316.55	4.33	-49.58
O=C(NC1=CC=NN1C1CCC1)N1CCCC1C1=N[N-]N=N1	REAL300020238498	1	39	-1.0	-53.93	316.50	4.31	-49.62
CSCC[C@H](NC(=O)NC1=CC=NN1C1CCC1)C1=NN=N[N-]1	REAL300020238499	0	42	-1.0	-47.29	358.09	4.37	-42.92
CSCC[C@H](NC(=O)NC1=CC=NN1C1CCC1)C1=N[N-]N=N1	REAL300020238499	1	42	-1.0	-47.28	358.03	4.35	-42.93
O=C(NC1=CC=NN1C1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238500	0	39	-1.0	-44.26	318.03	4.36	-39.90
O=C(NC1=CC=NN1C1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238500	1	39	-1.0	-44.24	317.96	4.35	-39.89
O=C(NC1=CC=NN1C1CCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238501	0	45	-1.0	-51.21	340.56	6.20	-45.01
O=C(NC1=CC=NN1C1CCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238501	1	45	-1.0	-51.22	340.50	6.20	-45.02
C=C(C)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238502	0	42	-1.0	-42.83	359.55	6.64	-36.19
C=C(C)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238502	1	42	-1.0	-42.82	359.49	6.61	-36.21
C=C(C)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238503	0	42	-1.0	-43.06	339.24	6.22	-36.84
C=C(C)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238503	1	42	-1.0	-43.10	339.30	6.24	-36.86
C=C(C)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020238504	0	42	-1.0	-45.90	368.34	5.26	-40.64
C=C(C)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020238504	1	42	-1.0	-45.94	368.40	5.27	-40.67
C=C(C)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238505	0	45	-1.0	-48.50	348.37	7.05	-41.45
C=C(C)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238505	1	45	-1.0	-48.56	348.43	7.07	-41.49
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020238506	0	41	-1.0	-53.85	369.96	5.85	-48.00
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020238506	1	41	-1.0	-53.86	370.02	5.88	-47.98
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020238507	0	41	-1.0	-43.80	351.26	5.33	-38.47
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020238507	1	41	-1.0	-43.80	351.32	5.35	-38.45
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020238508	0	38	-1.0	-50.91	336.02	4.41	-46.50
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020238508	1	38	-1.0	-50.95	336.08	4.43	-46.52
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020238509	0	41	-1.0	-45.14	379.21	4.41	-40.73
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020238509	1	41	-1.0	-45.14	379.26	4.42	-40.72
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020238510	0	38	-1.0	-48.48	337.37	4.48	-44.00
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020238510	1	38	-1.0	-48.50	337.45	4.48	-44.02
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020238511	0	44	-1.0	-40.21	365.68	5.54	-34.67
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020238511	1	44	-1.0	-40.23	365.73	5.54	-34.69
CN1C=C(C2=NSC([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)C=N1	REAL300020238512	0	39	-2.0	-88.03	364.07	2.84	-85.19
CN1C=C(C2=NSC([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)C=N1	REAL300020238512	1	39	-2.0	-87.99	364.02	2.82	-85.17
CN1C=C(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)C=N1	REAL300020238513	0	39	-2.0	-90.57	347.08	2.71	-87.86
CN1C=C(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)C=N1	REAL300020238513	1	39	-2.0	-90.59	347.03	2.70	-87.89
CN1C=C(C2=NSC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=N1	REAL300020238514	0	36	-2.0	-110.00	331.22	1.59	-108.41
CN1C=C(C2=NSC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=N1	REAL300020238514	1	36	-2.0	-110.00	331.28	1.61	-108.39
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CN(C)N=C2)=NS1)C1=N[N-]N=N1	REAL300020238515	0	39	-2.0	-100.73	373.00	1.41	-99.32
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CN(C)N=C2)=NS1)C1=NN=N[N-]1	REAL300020238515	1	39	-2.0	-100.74	373.06	1.43	-99.31
CN1C=C(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=N1	REAL300020238516	0	36	-2.0	-90.29	331.98	1.62	-88.67
CN1C=C(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=N1	REAL300020238516	1	36	-2.0	-90.28	332.05	1.64	-88.64
CN1C=C(C2=NSC([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)C=N1	REAL300020238517	0	42	-2.0	-108.16	355.69	3.71	-104.45
CN1C=C(C2=NSC([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)C=N1	REAL300020238517	1	42	-2.0	-108.10	355.65	3.68	-104.42
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN=C1C(F)F	REAL300020238518	0	40	-1.0	-41.99	347.97	4.39	-37.60
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN=C1C(F)F	REAL300020238518	1	40	-1.0	-41.95	347.91	4.36	-37.59
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN=C1C(F)F	REAL300020238519	0	40	-1.0	-44.50	328.90	3.82	-40.68
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1C(F)F	REAL300020238519	1	40	-1.0	-44.51	328.96	3.84	-40.67
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN=C1C(F)F	REAL300020238520	0	37	-1.0	-53.10	312.75	3.05	-50.05
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN=C1C(F)F	REAL300020238520	1	37	-1.0	-53.11	312.81	3.07	-50.04
CSCC[C@H](NC(=O)NC1=CN=C(C(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300020238521	0	40	-1.0	-45.40	356.89	2.96	-42.44
CSCC[C@H](NC(=O)NC1=CN=C(C(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300020238521	1	40	-1.0	-45.43	356.95	2.97	-42.46
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1C(F)F	REAL300020238522	0	37	-1.0	-43.65	314.95	3.04	-40.61
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1C(F)F	REAL300020238522	1	37	-1.0	-43.64	315.02	3.04	-40.60
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1C(F)F	REAL300020238523	0	43	-1.0	-42.78	340.79	4.14	-38.64
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1C(F)F	REAL300020238523	1	43	-1.0	-42.75	340.83	4.15	-38.60
O=C(NC1=CC=NN1C1CCOCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238524	0	46	-1.0	-43.25	377.89	4.55	-38.70
O=C(NC1=CC=NN1C1CCOCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238524	1	46	-1.0	-43.23	377.83	4.52	-38.71
O=C(NC1=CC=NN1C1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238525	0	46	-1.0	-44.53	358.67	4.06	-40.47
O=C(NC1=CC=NN1C1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238525	1	46	-1.0	-44.51	358.61	4.05	-40.46
O=C(NC1=CC=NN1C1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020238526	0	43	-1.0	-54.28	343.24	3.17	-51.11
O=C(NC1=CC=NN1C1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020238526	1	43	-1.0	-54.24	343.18	3.15	-51.09
CSCC[C@H](NC(=O)NC1=CC=NN1C1CCOCC1)C1=NN=N[N-]1	REAL300020238527	0	46	-1.0	-47.29	386.87	3.12	-44.17
CSCC[C@H](NC(=O)NC1=CC=NN1C1CCOCC1)C1=N[N-]N=N1	REAL300020238527	1	46	-1.0	-47.26	386.81	3.11	-44.15
O=C(NC1=CC=NN1C1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238528	0	43	-1.0	-44.85	344.74	3.22	-41.63
O=C(NC1=CC=NN1C1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238528	1	43	-1.0	-44.84	344.67	3.20	-41.64
O=C(NC1=CC=NN1C1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238529	0	49	-1.0	-50.91	366.69	4.95	-45.96
O=C(NC1=CC=NN1C1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238529	1	49	-1.0	-50.91	366.65	4.95	-45.96
C#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020238530	0	37	-1.0	-50.02	330.41	6.00	-44.02
C#CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020238530	1	37	-1.0	-50.00	330.35	5.97	-44.03
C#CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020238531	0	37	-1.0	-49.39	339.53	4.53	-44.86
C#CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020238531	1	37	-1.0	-49.41	339.59	4.54	-44.87
C#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020238532	0	40	-1.0	-50.24	319.30	6.41	-43.83
C#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020238532	1	40	-1.0	-50.28	319.35	6.41	-43.87
COC1=CN=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238533	0	38	-1.0	-55.36	332.21	2.32	-53.04
COC1=CN=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238533	1	38	-1.0	-55.37	332.15	2.30	-53.07
COC1=CN=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238534	0	38	-1.0	-44.66	314.62	1.82	-42.84
COC1=CN=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238534	1	38	-1.0	-44.65	314.56	1.80	-42.85
COC1=CN=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238535	0	35	-1.0	-55.17	298.88	0.94	-54.23
COC1=CN=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238535	1	35	-1.0	-55.17	298.82	0.91	-54.26
COC1=CN=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020238536	0	38	-1.0	-47.00	342.41	0.90	-46.10
COC1=CN=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020238536	1	38	-1.0	-46.97	342.36	0.88	-46.09
COC1=CN=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238537	0	35	-1.0	-44.58	300.26	0.98	-43.60
COC1=CN=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238537	1	35	-1.0	-44.54	300.18	0.97	-43.57
COC1=CN=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238538	0	41	-1.0	-50.42	321.51	2.73	-47.69
COC1=CN=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238538	1	41	-1.0	-50.38	321.45	2.70	-47.68
O=C(NC1=CC=C(OCC2=CC=C(Cl)C=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238539	0	46	-1.0	-57.56	396.56	7.19	-50.37
O=C(NC1=CC=C(OCC2=CC=C(Cl)C=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238539	1	46	-1.0	-57.55	396.62	7.21	-50.34
O=C(NC1=CC=C(OCC2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238540	0	46	-1.0	-44.40	398.19	7.22	-37.18
O=C(NC1=CC=C(OCC2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238540	1	46	-1.0	-44.42	398.26	7.23	-37.19
CN1N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(F)F	REAL300020238541	0	38	-1.0	-42.19	337.50	4.26	-37.93
CN1N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(F)F	REAL300020238541	1	38	-1.0	-42.21	337.44	4.24	-37.97
CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(F)F	REAL300020238542	0	38	-1.0	-45.66	316.40	3.71	-41.95
CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(F)F	REAL300020238542	1	38	-1.0	-45.66	316.46	3.72	-41.94
CN1N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(F)F	REAL300020238543	0	35	-1.0	-50.67	302.81	2.85	-47.82
CN1N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(F)F	REAL300020238543	1	35	-1.0	-50.70	302.86	2.87	-47.83
CSCC[C@H](NC(=O)NC1=NN(C)C(C(F)F)=C1)C1=N[N-]N=N1	REAL300020238544	0	38	-1.0	-48.76	343.36	2.74	-46.02
CSCC[C@H](NC(=O)NC1=NN(C)C(C(F)F)=C1)C1=NN=N[N-]1	REAL300020238544	1	38	-1.0	-48.76	343.41	2.76	-46.00
CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)F	REAL300020238545	0	35	-1.0	-45.08	302.38	2.85	-42.23
CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)F	REAL300020238545	1	35	-1.0	-45.10	302.45	2.86	-42.24
CN1N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)F	REAL300020238546	0	41	-1.0	-46.36	326.20	4.66	-41.70
CN1N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)F	REAL300020238546	1	41	-1.0	-46.35	326.24	4.67	-41.68
O=C(NC1=CC2=C(C=C1Br)OCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238547	0	38	-1.0	-42.92	328.98	3.73	-39.19
O=C(NC1=CC2=C(C=C1Br)OCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238547	1	38	-1.0	-42.97	329.04	3.75	-39.22
O=C(NC1=CC2=C(C=C1Br)OCO2)N1CCCC1C1=N[N-]N=N1	REAL300020238548	0	35	-1.0	-52.85	313.54	2.83	-50.02
O=C(NC1=CC2=C(C=C1Br)OCO2)N1CCCC1C1=NN=N[N-]1	REAL300020238548	1	35	-1.0	-52.85	313.60	2.86	-49.99
O=C(NC1=CC2=C(C=C1Br)OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020238549	0	35	-1.0	-43.13	314.15	2.84	-40.29
O=C(NC1=CC2=C(C=C1Br)OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020238549	1	35	-1.0	-43.12	314.22	2.85	-40.27
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238550	0	49	-1.0	-46.19	394.22	7.60	-38.59
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238550	1	49	-1.0	-46.21	394.27	7.61	-38.60
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238551	0	46	-1.0	-53.73	380.08	6.64	-47.09
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238551	1	46	-1.0	-53.75	380.14	6.66	-47.09
CSCC[C@H](NC(=O)NC1=CC=CC(COC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020238552	0	49	-1.0	-47.32	423.31	6.64	-40.68
CSCC[C@H](NC(=O)NC1=CC=CC(COC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020238552	1	49	-1.0	-47.32	423.37	6.66	-40.66
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238553	0	46	-1.0	-47.74	381.41	6.70	-41.04
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238553	1	46	-1.0	-47.73	381.49	6.71	-41.02
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238554	0	52	-1.0	-49.62	403.43	8.45	-41.17
O=C(NC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238554	1	52	-1.0	-49.60	403.49	8.47	-41.13
CC1=NN(C2=CC=CC=C2)C2=NC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL300020238555	0	47	-1.0	-56.91	392.03	6.70	-50.21
CC1=NN(C2=CC=CC=C2)C2=NC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL300020238555	1	47	-1.0	-56.94	392.09	6.71	-50.23
CC1=NN(C2=CC=CC=C2)C2=NC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020238556	0	47	-1.0	-48.20	393.42	6.74	-41.46
CC1=NN(C2=CC=CC=C2)C2=NC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020238556	1	47	-1.0	-48.22	393.50	6.75	-41.47
O=C(NC1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238557	0	47	-1.0	-56.64	387.07	5.10	-51.54
O=C(NC1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238557	1	47	-1.0	-56.59	387.01	5.08	-51.51
O=C(NC1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238558	0	44	-1.0	-72.44	371.35	4.20	-68.24
O=C(NC1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238558	1	44	-1.0	-72.46	371.29	4.19	-68.27
O=C(NC1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238559	0	44	-1.0	-56.75	373.03	4.23	-52.52
O=C(NC1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238559	1	44	-1.0	-56.71	372.95	4.22	-52.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C2=CC=CC=C2F)N=N1	REAL300020238560	0	43	-1.0	-58.17	375.71	6.92	-51.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C2=CC=CC=C2F)N=N1	REAL300020238560	1	43	-1.0	-58.15	375.65	6.90	-51.25
O=C(NC1=CC=C(C2=CC=CC=C2F)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238561	0	43	-1.0	-48.69	353.46	6.02	-42.67
O=C(NC1=CC=C(C2=CC=CC=C2F)N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238561	1	43	-1.0	-48.71	353.51	6.03	-42.68
O=C(NC1=CC=C(C2=CC=CC=C2F)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020238562	0	40	-1.0	-75.81	340.95	5.54	-70.27
O=C(NC1=CC=C(C2=CC=CC=C2F)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020238562	1	40	-1.0	-75.82	341.01	5.55	-70.27
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2F)N=N1)C1=N[N-]N=N1	REAL300020238563	0	43	-1.0	-66.24	384.65	5.48	-60.76
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2F)N=N1)C1=NN=N[N-]1	REAL300020238563	1	43	-1.0	-66.26	384.71	5.50	-60.76
O=C(NC1=CC=C(C2=CC=CC=C2F)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238564	0	40	-1.0	-62.38	342.47	5.59	-56.79
O=C(NC1=CC=C(C2=CC=CC=C2F)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238564	1	40	-1.0	-62.36	342.54	5.61	-56.75
O=C(NC1=CC=C(C2=CC=CC=C2F)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238565	0	46	-1.0	-57.53	369.27	6.45	-51.08
O=C(NC1=CC=C(C2=CC=CC=C2F)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238565	1	46	-1.0	-57.48	369.34	6.45	-51.03
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2C=N1	REAL300020238566	0	46	-1.0	-45.60	376.52	5.56	-40.04
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2C=N1	REAL300020238566	1	46	-1.0	-45.53	376.47	5.54	-39.99
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2C=N1	REAL300020238567	0	43	-1.0	-53.87	362.79	4.67	-49.20
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2C=N1	REAL300020238567	1	43	-1.0	-53.85	362.73	4.65	-49.20
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C=N1	REAL300020238568	0	43	-1.0	-45.91	364.17	4.70	-41.21
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C=N1	REAL300020238568	1	43	-1.0	-45.91	364.10	4.69	-41.22
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C=N1	REAL300020238569	0	49	-1.0	-49.74	386.18	6.43	-43.31
COC(=O)C1=CC2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C=N1	REAL300020238569	1	49	-1.0	-49.76	386.12	6.43	-43.33
CC1(C)CCCC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C1	REAL300020238570	0	57	-1.0	-42.86	419.98	8.95	-33.91
CC1(C)CCCC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C1	REAL300020238570	1	57	-1.0	-42.88	420.03	8.97	-33.91
CC1(C)CCCC(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C1	REAL300020238571	0	54	-1.0	-55.24	404.58	8.07	-47.17
CC1(C)CCCC(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C1	REAL300020238571	1	54	-1.0	-55.28	404.63	8.08	-47.20
CC1(C)CCCC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C1	REAL300020238572	0	54	-1.0	-43.13	405.95	8.11	-35.02
CC1(C)CCCC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C1	REAL300020238572	1	54	-1.0	-43.18	406.02	8.13	-35.05
CC1(C)CCCC(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C1	REAL300020238573	0	60	-1.0	-42.47	432.41	9.17	-33.30
CC1(C)CCCC(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C1	REAL300020238573	1	60	-1.0	-42.49	432.45	9.17	-33.32
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=N1	REAL300020238574	0	43	-1.0	-46.21	372.38	4.55	-41.66
COC(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=N1	REAL300020238574	1	43	-1.0	-46.18	372.32	4.53	-41.65
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020238575	0	43	-1.0	-44.72	350.93	3.93	-40.79
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020238575	1	43	-1.0	-44.74	350.99	3.94	-40.80
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020238576	0	40	-1.0	-52.93	337.06	3.05	-49.88
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020238576	1	40	-1.0	-52.92	337.12	3.08	-49.84
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020238577	0	43	-1.0	-46.66	380.57	3.00	-43.66
COC(=O)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020238577	1	43	-1.0	-46.63	380.63	3.02	-43.61
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020238578	0	40	-1.0	-45.22	338.43	3.12	-42.10
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020238578	1	40	-1.0	-45.24	338.50	3.13	-42.11
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020238579	0	46	-1.0	-50.96	358.71	4.78	-46.18
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020238579	1	46	-1.0	-51.00	358.76	4.80	-46.20
COC1=NC(C(N)=O)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238580	0	42	-1.0	-50.14	365.29	-1.42	-51.56
COC1=NC(C(N)=O)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238580	1	42	-1.0	-50.16	365.23	-1.45	-51.61
COC1=NC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238581	0	42	-1.0	-43.99	344.66	-2.10	-46.09
COC1=NC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238581	1	42	-1.0	-43.99	344.61	-2.12	-46.11
COC1=NC(C(N)=O)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238582	0	39	-1.0	-53.15	331.00	-2.84	-55.99
COC1=NC(C(N)=O)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238582	1	39	-1.0	-53.10	330.94	-2.85	-55.95
COC1=NC(C(N)=O)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020238583	0	42	-1.0	-47.44	375.32	-2.88	-50.32
COC1=NC(C(N)=O)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020238583	1	42	-1.0	-47.43	375.26	-2.89	-50.32
COC1=NC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238584	0	39	-1.0	-44.41	332.37	-2.78	-47.19
COC1=NC(C(N)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238584	1	39	-1.0	-44.40	332.30	-2.79	-47.19
COC1=NC(C(N)=O)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238585	0	45	-1.0	-50.41	353.10	-1.04	-51.45
COC1=NC(C(N)=O)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238585	1	45	-1.0	-50.39	353.05	-1.05	-51.44
CCC1=NC=CC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238586	0	43	-1.0	-43.43	356.52	5.22	-38.21
CCC1=NC=CC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238586	1	43	-1.0	-43.42	356.46	5.19	-38.23
CCC1=NC=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238587	0	43	-1.0	-43.74	340.86	4.83	-38.91
CCC1=NC=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238587	1	43	-1.0	-43.73	340.91	4.84	-38.89
CCC1=NC=CC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238588	0	40	-1.0	-52.02	322.17	3.78	-48.24
CCC1=NC=CC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238588	1	40	-1.0	-52.00	322.23	3.79	-48.21
CCC1=NC=CC(C)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020238589	0	43	-1.0	-46.11	364.54	3.58	-42.53
CCC1=NC=CC(C)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020238589	1	43	-1.0	-46.11	364.59	3.59	-42.52
CCC1=NC=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238590	0	40	-1.0	-43.03	322.45	3.69	-39.34
CCC1=NC=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238590	1	40	-1.0	-43.06	322.52	3.71	-39.35
CCC1=NC=CC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238591	0	46	-1.0	-48.41	334.49	4.62	-43.79
CCC1=NC=CC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238591	1	46	-1.0	-48.46	334.53	4.62	-43.84
COC(=O)C1=CN(C)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238592	0	41	-1.0	-50.50	361.33	4.54	-45.96
COC(=O)C1=CN(C)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238592	1	41	-1.0	-50.48	361.27	4.51	-45.97
COC(=O)C1=CN(C)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238593	0	41	-1.0	-52.25	342.12	4.04	-48.21
COC(=O)C1=CN(C)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238593	1	41	-1.0	-52.25	342.06	4.03	-48.22
COC(=O)C1=CN(C)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238594	0	38	-1.0	-62.76	326.68	3.15	-59.61
COC(=O)C1=CN(C)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238594	1	38	-1.0	-62.75	326.62	3.14	-59.61
COC(=O)C1=CN(C)N=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020238595	0	41	-1.0	-55.98	370.31	3.10	-52.88
COC(=O)C1=CN(C)N=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020238595	1	41	-1.0	-55.97	370.25	3.09	-52.88
COC(=O)C1=CN(C)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238596	0	38	-1.0	-51.63	328.16	3.22	-48.41
COC(=O)C1=CN(C)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238596	1	38	-1.0	-51.64	328.09	3.20	-48.44
COC(=O)C1=CN(C)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238597	0	44	-1.0	-58.10	350.60	4.94	-53.16
COC(=O)C1=CN(C)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238597	1	44	-1.0	-58.09	350.55	4.92	-53.17
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(F)=C1Cl	REAL300020238598	0	41	-1.0	-45.26	357.22	5.38	-39.88
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(F)=C1Cl	REAL300020238598	1	41	-1.0	-45.27	357.27	5.40	-39.87
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(F)=C1Cl	REAL300020238599	0	38	-1.0	-52.81	341.65	4.49	-48.32
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(F)=C1Cl	REAL300020238599	1	38	-1.0	-52.82	341.70	4.51	-48.31
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(F)=C1Cl	REAL300020238600	0	38	-1.0	-44.66	343.06	4.55	-40.11
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(F)=C1Cl	REAL300020238600	1	38	-1.0	-44.61	343.14	4.55	-40.06
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(F)=C1Cl	REAL300020238601	0	44	-1.0	-37.90	369.63	5.53	-32.37
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(F)=C1Cl	REAL300020238601	1	44	-1.0	-37.90	369.67	5.54	-32.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C2C(=C1)CNC2=O	REAL300020238602	0	39	-1.0	-48.41	340.35	0.42	-47.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C2C(=C1)CNC2=O	REAL300020238602	1	39	-1.0	-48.41	340.29	0.40	-48.01
O=C(NC1=CN=C2C(=C1)CNC2=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238603	0	39	-1.0	-48.88	320.89	-0.04	-48.92
O=C(NC1=CN=C2C(=C1)CNC2=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238603	1	39	-1.0	-48.83	320.95	-0.02	-48.85
O=C(NC1=CN=C2C(=C1)CNC2=O)N1CCCC1C1=N[N-]N=N1	REAL300020238604	0	36	-1.0	-54.14	305.56	-0.93	-55.07
O=C(NC1=CN=C2C(=C1)CNC2=O)N1CCCC1C1=NN=N[N-]1	REAL300020238604	1	36	-1.0	-54.14	305.62	-0.92	-55.06
CSCC[C@H](NC(=O)NC1=CN=C2C(=O)NCC2=C1)C1=N[N-]N=N1	REAL300020238605	0	39	-1.0	-48.96	349.10	-0.98	-49.94
CSCC[C@H](NC(=O)NC1=CN=C2C(=O)NCC2=C1)C1=NN=N[N-]1	REAL300020238605	1	39	-1.0	-49.00	349.16	-0.97	-49.97
O=C(NC1=CN=C2C(=C1)CNC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238606	0	36	-1.0	-48.98	307.21	-0.92	-49.90
O=C(NC1=CN=C2C(=C1)CNC2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238606	1	36	-1.0	-48.97	307.28	-0.91	-49.88
O=C(NC1=CN=C2C(=C1)CNC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238607	0	42	-1.0	-47.63	333.83	0.12	-47.51
O=C(NC1=CN=C2C(=C1)CNC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238607	1	42	-1.0	-47.66	333.83	0.12	-47.54
CCN1C=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020238608	0	37	-1.0	-48.54	324.18	6.79	-41.75
CCN1C=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020238608	1	37	-1.0	-48.59	324.12	6.77	-41.82
CCN1C=NC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020238609	0	37	-1.0	-53.70	333.16	5.37	-48.33
CCN1C=NC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020238609	1	37	-1.0	-53.68	333.10	5.35	-48.33
CCN1C=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020238610	0	40	-1.0	-55.49	313.46	7.17	-48.32
CCN1C=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020238610	1	40	-1.0	-55.47	313.41	7.16	-48.31
O=C(NC1=CC=NN1C1CC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238611	0	39	-1.0	-43.09	335.05	5.15	-37.94
O=C(NC1=CC=NN1C1CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238611	1	39	-1.0	-43.07	334.99	5.12	-37.95
O=C(NC1=CC=NN1C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238612	0	39	-1.0	-45.02	315.89	4.67	-40.35
O=C(NC1=CC=NN1C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238612	1	39	-1.0	-45.03	315.83	4.65	-40.38
CSCC[C@H](NC(=O)NC1=CC=NN1C1CC1)C1=NN=N[N-]1	REAL300020238613	0	39	-1.0	-47.27	344.03	3.72	-43.55
CSCC[C@H](NC(=O)NC1=CC=NN1C1CC1)C1=N[N-]N=N1	REAL300020238613	1	39	-1.0	-47.28	343.97	3.71	-43.57
O=C(NC1=CC=NN1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238614	0	42	-1.0	-51.31	323.83	5.53	-45.78
O=C(NC1=CC=NN1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238614	1	42	-1.0	-51.28	323.79	5.53	-45.75
O=C(NC1=NN(C(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238615	0	35	-1.0	-43.88	317.73	3.68	-40.20
O=C(NC1=NN(C(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238615	1	35	-1.0	-43.89	317.67	3.65	-40.24
O=C(NC1=NN(C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238616	0	35	-1.0	-45.88	298.58	3.20	-42.68
O=C(NC1=NN(C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238616	1	35	-1.0	-45.90	298.52	3.19	-42.71
CSCC[C@H](NC(=O)NC1=NN(C(F)F)C=C1)C1=NN=N[N-]1	REAL300020238617	0	35	-1.0	-45.55	327.47	2.31	-43.24
CSCC[C@H](NC(=O)NC1=NN(C(F)F)C=C1)C1=N[N-]N=N1	REAL300020238617	1	35	-1.0	-45.55	327.41	2.30	-43.25
O=C(NC1=NN(C(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238618	0	38	-1.0	-49.44	306.50	4.07	-45.37
O=C(NC1=NN(C(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238618	1	38	-1.0	-49.42	306.46	4.06	-45.36
CCCC1=NC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020238619	0	42	-1.0	-46.42	359.01	5.63	-40.79
CCCC1=NC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020238619	1	42	-1.0	-46.36	358.95	5.61	-40.75
CCCC1=NC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020238620	0	42	-1.0	-42.30	336.94	4.56	-37.74
CCCC1=NC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020238620	1	42	-1.0	-42.29	337.00	4.58	-37.71
CCCC1=NC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020238621	0	39	-1.0	-59.65	324.42	4.22	-55.43
CCCC1=NC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020238621	1	39	-1.0	-59.66	324.48	4.23	-55.43
CCCC1=NC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020238622	0	42	-1.0	-52.03	367.95	4.19	-47.84
CCCC1=NC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020238622	1	42	-1.0	-52.02	368.01	4.21	-47.81
CCCC1=NC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020238623	0	39	-1.0	-49.11	325.77	4.29	-44.82
CCCC1=NC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020238623	1	39	-1.0	-49.19	325.85	4.29	-44.90
CCCC1=NC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020238624	0	45	-1.0	-45.08	352.61	5.16	-39.92
CCCC1=NC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020238624	1	45	-1.0	-45.03	352.66	5.15	-39.88
COCCN1C=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020238625	0	41	-1.0	-47.68	357.85	5.84	-41.84
COCCN1C=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020238625	1	41	-1.0	-47.69	357.79	5.82	-41.87
COCCN1C=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020238626	0	41	-1.0	-49.49	338.62	5.34	-44.15
COCCN1C=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020238626	1	41	-1.0	-49.48	338.56	5.33	-44.15
COCCN1C=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020238627	0	38	-1.0	-58.97	323.22	4.46	-54.51
COCCN1C=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020238627	1	38	-1.0	-58.96	323.16	4.43	-54.53
COCCN1C=NC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020238628	0	41	-1.0	-52.35	366.83	4.42	-47.93
COCCN1C=NC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020238628	1	41	-1.0	-52.35	366.77	4.40	-47.95
COCCN1C=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020238629	0	38	-1.0	-49.27	324.74	4.52	-44.75
COCCN1C=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020238629	1	38	-1.0	-49.21	324.67	4.51	-44.70
COCCN1C=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020238630	0	44	-1.0	-54.26	346.90	6.22	-48.04
COCCN1C=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020238630	1	44	-1.0	-54.23	346.84	6.22	-48.01
CN1CCOC2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C21	REAL300020238631	0	45	-1.0	-57.02	365.92	3.81	-53.21
CN1CCOC2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C21	REAL300020238631	1	45	-1.0	-56.99	365.86	3.79	-53.20
CN1CCOC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C21	REAL300020238632	0	45	-1.0	-44.04	345.58	3.71	-40.33
CN1CCOC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C21	REAL300020238632	1	45	-1.0	-44.01	345.63	3.73	-40.28
CN1CCOC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C21	REAL300020238633	0	42	-1.0	-54.69	331.56	2.72	-51.97
CN1CCOC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C21	REAL300020238633	1	42	-1.0	-54.70	331.62	2.73	-51.97
CSCC[C@H](NC(=O)NC1=CC=CC2=C1N(C)CCO2)C1=N[N-]N=N1	REAL300020238634	0	45	-1.0	-50.09	375.16	2.28	-47.81
CSCC[C@H](NC(=O)NC1=CC=CC2=C1N(C)CCO2)C1=NN=N[N-]1	REAL300020238634	1	45	-1.0	-50.03	375.22	2.29	-47.74
CN1CCOC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C21	REAL300020238635	0	42	-1.0	-43.66	331.84	2.82	-40.84
CN1CCOC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C21	REAL300020238635	1	42	-1.0	-43.69	331.91	2.84	-40.85
CN1CCOC2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020238636	0	48	-1.0	-44.42	359.47	3.64	-40.78
CN1CCOC2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020238636	1	48	-1.0	-44.45	359.52	3.66	-40.79
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C1CCCOC1)C(F)(F)F	REAL300020238637	0	45	-1.0	-45.07	372.05	3.94	-41.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C1CCCOC1)C(F)(F)F	REAL300020238637	1	45	-1.0	-45.09	372.11	3.97	-41.12
O=C(NC(C1CCCOC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238638	0	45	-1.0	-42.05	350.98	3.61	-38.44
O=C(NC(C1CCCOC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238638	1	45	-1.0	-42.10	351.04	3.63	-38.47
O=C(NC(C1CCCOC1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020238639	0	42	-1.0	-53.31	337.61	2.53	-50.78
O=C(NC(C1CCCOC1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020238639	1	42	-1.0	-53.35	337.66	2.55	-50.80
CSCC[C@H](NC(=O)NC(C1CCCOC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020238640	0	45	-1.0	-43.73	381.24	2.50	-41.23
CSCC[C@H](NC(=O)NC(C1CCCOC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020238640	1	45	-1.0	-43.75	381.29	2.51	-41.24
O=C(NC(C1CCCOC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020238641	0	42	-1.0	-43.37	339.09	2.60	-40.77
O=C(NC(C1CCCOC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020238641	1	42	-1.0	-43.37	339.17	2.62	-40.75
O=C(NC(C1CCCOC1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020238642	0	48	-1.0	-47.84	359.41	4.60	-43.24
O=C(NC(C1CCCOC1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020238642	1	48	-1.0	-47.82	359.46	4.63	-43.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC2=CC=NN21	REAL300020238643	0	37	-1.0	-50.14	327.19	4.62	-45.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC2=CC=NN21	REAL300020238643	1	37	-1.0	-50.15	327.14	4.59	-45.56
O=C(NC1=CC=NC2=CC=NN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238644	0	37	-1.0	-53.46	308.08	4.10	-49.36
O=C(NC1=CC=NC2=CC=NN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238644	1	37	-1.0	-53.42	308.02	4.09	-49.33
CSCC[C@H](NC(=O)NC1=CC=NC2=CC=NN21)C1=NN=N[N-]1	REAL300020238645	0	37	-1.0	-52.68	336.09	3.18	-49.50
CSCC[C@H](NC(=O)NC1=CC=NC2=CC=NN21)C1=N[N-]N=N1	REAL300020238645	1	37	-1.0	-52.70	336.03	3.16	-49.54
O=C(NC1=CC=NC2=CC=NN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020238646	0	40	-1.0	-56.03	316.29	5.09	-50.94
O=C(NC1=CC=NC2=CC=NN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020238646	1	40	-1.0	-56.00	316.24	5.07	-50.93
NC(=O)C1=NNN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238647	0	35	-1.0	-45.24	314.91	-2.13	-47.37
NC(=O)C1=NNN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238647	1	35	-1.0	-45.22	314.86	-2.16	-47.38
NC(=O)C1=NNN=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238648	0	35	-1.0	-46.85	295.67	-2.62	-49.47
NC(=O)C1=NNN=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238648	1	35	-1.0	-46.85	295.73	-2.60	-49.45
CSCC[C@H](NC(=O)NC1=NNN=C1C(N)=O)C1=N[N-]N=N1	REAL300020238649	0	35	-1.0	-49.43	323.82	-3.57	-53.00
CSCC[C@H](NC(=O)NC1=NNN=C1C(N)=O)C1=NN=N[N-]1	REAL300020238649	1	35	-1.0	-49.43	323.88	-3.56	-52.99
NC(=O)C1=NNN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238650	0	38	-1.0	-51.71	303.89	-1.75	-53.46
NC(=O)C1=NNN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238650	1	38	-1.0	-51.71	303.94	-1.75	-53.46
O=C([N-]C1=NC2=NC=CN=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238651	0	34	-2.0	-90.45	321.07	1.39	-89.06
O=C([N-]C1=NC2=NC=CN=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238651	1	34	-2.0	-90.51	321.01	1.36	-89.15
O=C(NC1=NC2=NC=CN=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238651	1	35	-1.0	-46.24	324.33	2.56	-43.68
O=C(NC1=NC2=NC=CN=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238651	1	35	-1.0	-46.23	324.27	2.54	-43.69
O=C(NC1=NC2=NC=CN=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238652	0	35	-1.0	-54.14	307.24	2.53	-51.61
O=C(NC1=NC2=NC=CN=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238652	1	35	-1.0	-54.14	307.18	2.52	-51.62
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238652	1	34	-2.0	-96.92	306.19	1.69	-95.23
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238652	1	34	-2.0	-96.96	306.13	1.68	-95.28
O=C(NC1=NC2=NC=CN=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020238653	0	32	-1.0	-54.71	289.68	1.18	-53.53
O=C(NC1=NC2=NC=CN=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020238653	1	32	-1.0	-54.70	289.62	1.17	-53.53
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020238653	1	31	-2.0	-112.35	288.22	0.14	-112.21
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020238653	1	31	-2.0	-112.27	288.28	0.15	-112.12
CSCC[C@H](NC(=O)NC1=NC2=NC=CN=C2S1)C1=NN=N[N-]1	REAL300020238654	0	35	-1.0	-48.97	333.31	1.15	-47.82
CSCC[C@H](NC(=O)NC1=NC2=NC=CN=C2S1)C1=N[N-]N=N1	REAL300020238654	1	35	-1.0	-48.94	333.25	1.13	-47.81
CSCC[C@H](NC(=O)[N-]C1=NC2=NC=CN=C2S1)C1=N[N-]N=N1	REAL300020238654	1	34	-2.0	-103.03	330.00	-0.05	-103.08
CSCC[C@H](NC(=O)[N-]C1=NC2=NC=CN=C2S1)C1=NN=N[N-]1	REAL300020238654	1	34	-2.0	-103.05	330.06	-0.04	-103.09
O=C(NC1=NC2=NC=CN=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238655	0	32	-1.0	-54.79	293.24	1.68	-53.11
O=C(NC1=NC2=NC=CN=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238655	1	32	-1.0	-54.77	293.17	1.67	-53.10
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238655	1	31	-2.0	-92.48	289.05	0.20	-92.28
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238655	1	31	-2.0	-92.52	288.97	0.19	-92.33
O=C(NC1=NC2=NC=CN=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238656	0	38	-1.0	-51.66	313.43	2.96	-48.70
O=C(NC1=NC2=NC=CN=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238656	1	38	-1.0	-51.66	313.41	2.96	-48.70
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238656	1	37	-2.0	-97.23	317.12	1.81	-95.42
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238656	1	37	-2.0	-97.19	317.05	1.81	-95.38
O=C(NC1=NNN=C1C(=O)NC1CC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238657	0	42	-1.0	-44.51	368.43	1.06	-43.45
O=C(NC1=NNN=C1C(=O)NC1CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238657	1	42	-1.0	-44.50	368.37	1.04	-43.46
O=C(NC1CC1)C1=NNN=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238658	0	42	-1.0	-46.17	349.20	0.58	-45.59
O=C(NC1CC1)C1=NNN=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238658	1	42	-1.0	-46.21	349.26	0.60	-45.61
O=C(NC1CC1)C1=NNN=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238659	0	39	-1.0	-54.97	333.73	-0.33	-55.30
O=C(NC1CC1)C1=NNN=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238659	1	39	-1.0	-54.98	333.79	-0.32	-55.30
CSCC[C@H](NC(=O)NC1=NNN=C1C(=O)NC1CC1)C1=N[N-]N=N1	REAL300020238660	0	42	-1.0	-48.80	377.35	-0.38	-49.18
CSCC[C@H](NC(=O)NC1=NNN=C1C(=O)NC1CC1)C1=NN=N[N-]1	REAL300020238660	1	42	-1.0	-48.83	377.41	-0.36	-49.19
O=C(NC1CC1)C1=NNN=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238661	0	39	-1.0	-45.21	335.20	-0.28	-45.49
O=C(NC1CC1)C1=NNN=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238661	1	39	-1.0	-45.19	335.28	-0.26	-45.45
O=C(NC1CC1)C1=NNN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238662	0	45	-1.0	-51.13	357.66	1.44	-49.69
O=C(NC1CC1)C1=NNN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238662	1	45	-1.0	-51.17	357.71	1.46	-49.71
O=C(NC1=CC(Br)=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238663	0	38	-1.0	-42.12	329.98	3.58	-38.54
O=C(NC1=CC(Br)=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238663	1	38	-1.0	-42.13	330.04	3.60	-38.53
O=C(NC1=CC(Br)=CC2=C1OCO2)N1CCCC1C1=N[N-]N=N1	REAL300020238664	0	35	-1.0	-51.60	315.29	2.66	-48.94
O=C(NC1=CC(Br)=CC2=C1OCO2)N1CCCC1C1=NN=N[N-]1	REAL300020238664	1	35	-1.0	-51.57	315.35	2.68	-48.89
O=C(NC1=CC(Br)=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020238665	0	35	-1.0	-42.42	316.62	2.72	-39.70
O=C(NC1=CC(Br)=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020238665	1	35	-1.0	-42.37	316.70	2.74	-39.63
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1C=CC(=O)N2	REAL300020238666	0	41	-1.0	-54.48	351.32	3.96	-50.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1C=CC(=O)N2	REAL300020238666	1	41	-1.0	-54.49	351.26	3.94	-50.55
O=C(NC1=CC=CC2=C1C=CC(=O)N2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238667	0	41	-1.0	-46.21	330.57	3.45	-42.76
O=C(NC1=CC=CC2=C1C=CC(=O)N2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238667	1	41	-1.0	-46.25	330.63	3.47	-42.78
O=C(NC1=CC=CC2=C1C=CC(=O)N2)N1CCCC1C1=N[N-]N=N1	REAL300020238668	0	38	-1.0	-54.59	316.93	2.57	-52.02
O=C(NC1=CC=CC2=C1C=CC(=O)N2)N1CCCC1C1=NN=N[N-]1	REAL300020238668	1	38	-1.0	-54.58	316.99	2.59	-51.99
CSCC[C@H](NC(=O)NC1=CC=CC2=C1C=CC(=O)N2)C1=N[N-]N=N1	REAL300020238669	0	41	-1.0	-48.39	360.48	2.55	-45.84
CSCC[C@H](NC(=O)NC1=CC=CC2=C1C=CC(=O)N2)C1=NN=N[N-]1	REAL300020238669	1	41	-1.0	-48.39	360.54	2.56	-45.83
O=C(NC1=CC=CC2=C1C=CC(=O)N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020238670	0	38	-1.0	-46.61	318.30	2.62	-43.99
O=C(NC1=CC=CC2=C1C=CC(=O)N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020238670	1	38	-1.0	-46.62	318.37	2.64	-43.98
O=C(NC1=CC=CC2=C1C=CC(=O)N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020238671	0	44	-1.0	-49.72	340.33	4.36	-45.36
O=C(NC1=CC=CC2=C1C=CC(=O)N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020238671	1	44	-1.0	-49.75	340.39	4.37	-45.38
O=C(NC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020238672	0	35	-1.0	-45.16	333.75	5.38	-39.78
O=C(NC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020238672	1	35	-1.0	-45.17	333.81	5.41	-39.76
O=C(NC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020238673	0	35	-1.0	-38.08	334.24	5.42	-32.66
O=C(NC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020238673	1	35	-1.0	-38.10	334.31	5.43	-32.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C[NH+]1CCCCC1	REAL300020238674	0	54	0.0	-64.92	419.80	9.03	-55.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C[NH+]1CCCCC1	REAL300020238674	1	54	0.0	-64.91	419.74	9.00	-55.91
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238675	0	54	0.0	-69.04	400.12	8.41	-60.63
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238675	1	54	0.0	-69.06	400.18	8.42	-60.64
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O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020238676	1	51	0.0	-70.89	384.44	7.55	-63.34
CSCC[C@H](NC(=O)NC1=CC=CC=C1C[NH+]1CCCCC1)C1=N[N-]N=N1	REAL300020238677	0	54	0.0	-63.00	427.66	7.55	-55.45
CSCC[C@H](NC(=O)NC1=CC=CC=C1C[NH+]1CCCCC1)C1=NN=N[N-]1	REAL300020238677	1	54	0.0	-62.98	427.72	7.57	-55.41
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238678	0	51	0.0	-69.85	385.63	7.62	-62.23
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238678	1	51	0.0	-69.86	385.70	7.63	-62.23
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238679	0	57	0.0	-65.85	408.48	9.56	-56.29
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238679	1	57	0.0	-65.90	408.53	9.57	-56.33
O=C([N-]C1=NC(CC2CCOC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238680	0	44	-2.0	-88.67	379.50	3.60	-85.07
O=C([N-]C1=NC(CC2CCOC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238680	1	44	-2.0	-88.69	379.56	3.62	-85.07
O=C(NC1=NC(CC2CCOC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238680	1	45	-1.0	-41.82	382.75	4.80	-37.02
O=C(NC1=NC(CC2CCOC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238680	1	45	-1.0	-41.83	382.81	4.82	-37.01
O=C(NC1=NC(CC2CCOC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238681	0	45	-1.0	-43.49	363.56	4.33	-39.16
O=C(NC1=NC(CC2CCOC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238681	1	45	-1.0	-43.51	363.62	4.35	-39.16
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238681	1	44	-2.0	-90.69	362.52	3.50	-87.19
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238681	1	44	-2.0	-90.71	362.58	3.51	-87.20
O=C(NC1=NC(CC2CCOC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020238682	0	42	-1.0	-50.10	348.13	3.41	-46.69
O=C(NC1=NC(CC2CCOC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020238682	1	42	-1.0	-50.08	348.18	3.44	-46.64
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020238682	1	41	-2.0	-110.50	346.71	2.38	-108.12
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020238682	1	41	-2.0	-110.48	346.77	2.39	-108.09
CSCC[C@H](NC(=O)NC1=NC(CC2CCOC2)=CS1)C1=N[N-]N=N1	REAL300020238683	0	45	-1.0	-44.63	391.73	3.39	-41.24
CSCC[C@H](NC(=O)NC1=NC(CC2CCOC2)=CS1)C1=NN=N[N-]1	REAL300020238683	1	45	-1.0	-44.63	391.79	3.41	-41.22
CSCC[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=N[N-]N=N1	REAL300020238683	1	44	-2.0	-101.69	388.49	2.19	-99.50
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O=C(NC1=NC(CC2CCOC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238684	1	42	-1.0	-41.95	349.67	3.48	-38.47
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238684	1	41	-2.0	-90.80	347.46	2.43	-88.37
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238684	1	41	-2.0	-90.79	347.53	2.45	-88.34
O=C(NC1=NC(CC2CCOC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238685	0	48	-1.0	-46.07	371.82	5.20	-40.87
O=C(NC1=NC(CC2CCOC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238685	1	48	-1.0	-46.11	371.87	5.21	-40.90
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238685	1	47	-2.0	-106.69	371.14	4.47	-102.22
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COCCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020238686	0	40	-2.0	-100.44	363.44	2.84	-97.60
COCCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020238686	1	40	-2.0	-100.46	363.38	2.82	-97.64
COCCC1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020238686	1	41	-1.0	-45.18	366.68	4.04	-41.14
COCCC1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020238686	1	41	-1.0	-45.18	366.63	4.02	-41.16
COCCC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020238687	0	41	-1.0	-47.10	347.48	3.55	-43.55
COCCC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020238687	1	41	-1.0	-47.05	347.42	3.53	-43.52
COCCC1=CN=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020238688	0	38	-1.0	-58.01	332.05	2.65	-55.36
COCCC1=CN=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020238688	1	38	-1.0	-58.04	331.99	2.63	-55.41
COCCC1=CN=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020238689	0	41	-1.0	-50.54	375.66	2.62	-47.92
COCCC1=CN=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020238689	1	41	-1.0	-50.57	375.61	2.60	-47.97
COCCC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020238690	0	38	-1.0	-47.55	333.53	2.70	-44.85
COCCC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020238690	1	38	-1.0	-47.58	333.46	2.69	-44.89
COCCC1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020238691	0	44	-1.0	-53.33	355.73	4.41	-48.92
COCCC1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020238691	1	44	-1.0	-53.34	355.68	4.41	-48.93
CN(C)C1=CC=C([N+](=O)[O-])C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238692	0	45	-1.0	-49.46	378.88	6.27	-43.19
CN(C)C1=CC=C([N+](=O)[O-])C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238692	1	45	-1.0	-49.44	378.83	6.25	-43.19
CN(C)C1=CC=C([N+](=O)[O-])C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238693	0	45	-1.0	-44.88	360.31	5.71	-39.17
CN(C)C1=CC=C([N+](=O)[O-])C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238693	1	45	-1.0	-44.87	360.36	5.73	-39.14
CN(C)C1=CC=C([N+](=O)[O-])C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238694	0	42	-1.0	-53.94	343.79	4.79	-49.15
CN(C)C1=CC=C([N+](=O)[O-])C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238694	1	42	-1.0	-54.00	343.85	4.81	-49.19
CSCC[C@H](NC(=O)NC1=CC(N(C)C)=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020238695	0	45	-1.0	-49.19	387.09	4.78	-44.41
CSCC[C@H](NC(=O)NC1=CC(N(C)C)=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020238695	1	45	-1.0	-49.17	387.15	4.79	-44.38
CN(C)C1=CC=C([N+](=O)[O-])C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238696	0	42	-1.0	-43.58	343.97	4.79	-38.79
CN(C)C1=CC=C([N+](=O)[O-])C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238696	1	42	-1.0	-43.61	344.04	4.81	-38.80
CN(C)C1=CC=C([N+](=O)[O-])C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238697	0	48	-1.0	-50.70	368.38	6.63	-44.07
CN(C)C1=CC=C([N+](=O)[O-])C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238697	1	48	-1.0	-50.71	368.43	6.64	-44.07
CCOC(=O)C1=CN(CC)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238698	0	47	-1.0	-50.33	404.69	6.34	-43.99
CCOC(=O)C1=CN(CC)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238698	1	47	-1.0	-50.34	404.63	6.31	-44.03
CCOC(=O)C1=CN(CC)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238699	0	47	-1.0	-52.08	385.49	5.84	-46.24
CCOC(=O)C1=CN(CC)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238699	1	47	-1.0	-52.11	385.43	5.83	-46.28
CCOC(=O)C1=CN(CC)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238700	0	44	-1.0	-63.40	370.04	4.95	-58.45
CCOC(=O)C1=CN(CC)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238700	1	44	-1.0	-63.39	369.98	4.95	-58.44
CCOC(=O)C1=CN(CC)N=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020238701	0	47	-1.0	-56.01	413.67	4.91	-51.10
CCOC(=O)C1=CN(CC)N=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020238701	1	47	-1.0	-56.03	413.61	4.90	-51.13
CCOC(=O)C1=CN(CC)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238702	0	44	-1.0	-51.66	371.53	5.02	-46.64
CCOC(=O)C1=CN(CC)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238702	1	44	-1.0	-51.72	371.46	5.00	-46.72
CCOC(=O)C1=CN(CC)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238703	0	50	-1.0	-58.36	393.73	6.74	-51.62
CCOC(=O)C1=CN(CC)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238703	1	50	-1.0	-58.36	393.68	6.72	-51.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(OC2=CC=CC=C2)=N1	REAL300020238704	0	45	-1.0	-42.07	388.42	5.95	-36.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(OC2=CC=CC=C2)=N1	REAL300020238704	1	45	-1.0	-42.12	388.36	5.93	-36.19
O=C(NC1=CC=CC(OC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238705	0	45	-1.0	-43.85	369.13	5.47	-38.38
O=C(NC1=CC=CC(OC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238705	1	45	-1.0	-43.85	369.07	5.46	-38.39
O=C(NC1=CC=CC(OC2=CC=CC=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020238706	0	42	-1.0	-59.00	356.15	5.55	-53.45
O=C(NC1=CC=CC(OC2=CC=CC=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020238706	1	42	-1.0	-58.98	356.10	5.53	-53.45
CSCC[C@H](NC(=O)NC1=CC=CC(OC2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020238707	0	45	-1.0	-52.70	399.86	5.49	-47.21
CSCC[C@H](NC(=O)NC1=CC=CC(OC2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020238707	1	45	-1.0	-52.71	399.80	5.47	-47.24
O=C(NC1=CC=CC(OC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238708	0	42	-1.0	-42.67	354.76	4.69	-37.98
O=C(NC1=CC=CC(OC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238708	1	42	-1.0	-42.65	354.68	4.68	-37.97
O=C(NC1=CC=CC(OC2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238709	0	48	-1.0	-45.80	383.08	6.34	-39.46
O=C(NC1=CC=CC(OC2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238709	1	48	-1.0	-45.77	383.05	6.33	-39.44
CN1N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C21	REAL300020238710	0	41	-1.0	-48.39	355.04	6.01	-42.38
CN1N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C21	REAL300020238710	1	41	-1.0	-48.36	354.98	5.99	-42.37
CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020238711	0	41	-1.0	-50.69	335.83	5.52	-45.17
CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020238711	1	41	-1.0	-50.70	335.78	5.50	-45.20
CN1N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020238712	0	38	-1.0	-63.04	320.40	4.61	-58.43
CN1N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020238712	1	38	-1.0	-63.00	320.34	4.61	-58.39
CSCC[C@H](NC(=O)NC1=NN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020238713	0	41	-1.0	-54.79	364.02	4.58	-50.21
CSCC[C@H](NC(=O)NC1=NN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020238713	1	41	-1.0	-54.81	363.97	4.56	-50.25
CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020238714	0	38	-1.0	-51.27	321.89	4.68	-46.59
CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020238714	1	38	-1.0	-51.22	321.82	4.66	-46.56
CN1N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020238715	0	44	-1.0	-58.64	344.32	6.41	-52.23
CN1N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020238715	1	44	-1.0	-58.63	344.27	6.39	-52.24
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC(F)F)=C1	REAL300020238716	0	42	-1.0	-49.33	361.88	5.16	-44.17
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC(F)F)=C1	REAL300020238716	1	42	-1.0	-49.33	361.83	5.13	-44.20
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC(F)F)=C1	REAL300020238717	0	42	-1.0	-45.01	343.09	4.68	-40.33
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC(F)F)=C1	REAL300020238717	1	42	-1.0	-45.03	343.14	4.69	-40.34
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OC(F)F)=C1	REAL300020238718	0	39	-1.0	-54.25	327.67	3.75	-50.50
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OC(F)F)=C1	REAL300020238718	1	39	-1.0	-54.22	327.72	3.77	-50.45
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1OC(F)F)C1=N[N-]N=N1	REAL300020238719	0	42	-1.0	-48.21	371.18	3.71	-44.50
CSCC[C@H](NC(=O)NC1=CC=C(C)C=C1OC(F)F)C1=NN=N[N-]1	REAL300020238719	1	42	-1.0	-48.18	371.24	3.72	-44.46
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC(F)F)=C1	REAL300020238720	0	39	-1.0	-44.80	329.83	3.79	-41.01
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC(F)F)=C1	REAL300020238720	1	39	-1.0	-44.77	329.91	3.81	-40.96
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC(F)F)=C1	REAL300020238721	0	45	-1.0	-51.36	351.47	5.65	-45.71
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC(F)F)=C1	REAL300020238721	1	45	-1.0	-51.32	351.52	5.66	-45.66
CC1=CC=C(OC(F)F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238722	0	42	-1.0	-53.83	362.82	5.14	-48.69
CC1=CC=C(OC(F)F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238722	1	42	-1.0	-53.85	362.76	5.11	-48.74
CC1=CC=C(OC(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238723	0	42	-1.0	-44.88	344.19	4.64	-40.24
CC1=CC=C(OC(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238723	1	42	-1.0	-44.88	344.25	4.65	-40.23
CC1=CC=C(OC(F)F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238724	0	39	-1.0	-54.42	327.68	3.74	-50.68
CC1=CC=C(OC(F)F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238724	1	39	-1.0	-54.45	327.73	3.77	-50.68
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1OC(F)F)C1=N[N-]N=N1	REAL300020238725	0	42	-1.0	-47.96	372.00	3.71	-44.25
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1OC(F)F)C1=NN=N[N-]1	REAL300020238725	1	42	-1.0	-47.95	372.06	3.72	-44.23
CC1=CC=C(OC(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238726	0	39	-1.0	-44.90	329.83	3.79	-41.11
CC1=CC=C(OC(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238726	1	39	-1.0	-44.92	329.90	3.81	-41.11
CC1=CC=C(OC(F)F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238727	0	45	-1.0	-50.91	351.66	5.52	-45.39
CC1=CC=C(OC(F)F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238727	1	45	-1.0	-50.90	351.72	5.53	-45.37
CN1C=C(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)C=N1	REAL300020238728	0	45	-1.0	-52.62	382.94	6.11	-46.51
CN1C=C(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)C=N1	REAL300020238728	1	45	-1.0	-52.63	382.88	6.09	-46.54
CN1C=C(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C=N1	REAL300020238729	0	45	-1.0	-47.10	364.05	5.62	-41.48
CN1C=C(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C=N1	REAL300020238729	1	45	-1.0	-47.09	364.00	5.60	-41.49
CN1C=C(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C=N1	REAL300020238730	0	42	-1.0	-58.88	348.90	4.65	-54.23
CN1C=C(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C=N1	REAL300020238730	1	42	-1.0	-58.87	348.84	4.64	-54.23
CSCC[C@H](NC(=O)NC1=CC=C(C2=CN(C)N=C2)C=C1)C1=NN=N[N-]1	REAL300020238731	0	45	-1.0	-54.98	392.43	4.62	-50.36
CSCC[C@H](NC(=O)NC1=CC=C(C2=CN(C)N=C2)C=C1)C1=N[N-]N=N1	REAL300020238731	1	45	-1.0	-54.98	392.37	4.61	-50.37
CN1C=C(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=N1	REAL300020238732	0	42	-1.0	-47.73	350.33	4.71	-43.02
CN1C=C(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=N1	REAL300020238732	1	42	-1.0	-47.68	350.25	4.71	-42.97
CN1C=C(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C=N1	REAL300020238733	0	48	-1.0	-53.59	372.75	6.58	-47.01
CN1C=C(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C=N1	REAL300020238733	1	48	-1.0	-53.64	372.70	6.56	-47.08
CC1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020238734	0	36	-1.0	-45.62	315.80	5.48	-40.14
CC1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020238734	1	36	-1.0	-45.62	315.74	5.46	-40.16
CSCC[C@H](NC(=O)NC1=NC=CC(C)=N1)C1=N[N-]N=N1	REAL300020238735	0	36	-1.0	-50.82	324.72	4.04	-46.78
CSCC[C@H](NC(=O)NC1=NC=CC(C)=N1)C1=NN=N[N-]1	REAL300020238735	1	36	-1.0	-50.81	324.78	4.06	-46.75
CC1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020238736	0	39	-1.0	-52.85	305.03	5.86	-46.99
CC1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020238736	1	39	-1.0	-52.83	305.09	5.87	-46.96
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N(C)N=C1	REAL300020238737	0	38	-1.0	-44.34	325.15	3.85	-40.49
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N(C)N=C1	REAL300020238737	1	38	-1.0	-44.31	325.09	3.82	-40.49
CSCC[C@H](NC(=O)NC1=C(C)C=NN1C)C1=NN=N[N-]1	REAL300020238738	0	38	-1.0	-45.62	330.34	2.36	-43.26
CSCC[C@H](NC(=O)NC1=C(C)C=NN1C)C1=N[N-]N=N1	REAL300020238738	1	38	-1.0	-45.59	330.29	2.34	-43.25
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N(C)N=C1	REAL300020238739	0	41	-1.0	-50.32	313.03	4.19	-46.13
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N(C)N=C1	REAL300020238739	1	41	-1.0	-50.31	312.98	4.18	-46.13
COCC1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020238740	0	40	-1.0	-44.31	347.36	4.69	-39.62
COCC1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020238740	1	40	-1.0	-44.30	347.30	4.66	-39.64
COCC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020238741	0	40	-1.0	-46.31	328.13	4.20	-42.11
COCC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020238741	1	40	-1.0	-46.30	328.19	4.22	-42.08
COCC1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020238742	0	37	-1.0	-56.06	312.66	3.28	-52.78
COCC1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020238742	1	37	-1.0	-56.08	312.72	3.29	-52.79
COCC1=CC=NC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020238743	0	40	-1.0	-49.24	356.28	3.25	-45.99
COCC1=CC=NC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020238743	1	40	-1.0	-49.25	356.34	3.26	-45.99
COCC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020238744	0	37	-1.0	-45.93	314.13	3.33	-42.60
COCC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020238744	1	37	-1.0	-45.95	314.20	3.35	-42.60
COCC1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020238745	0	43	-1.0	-51.87	336.59	5.06	-46.81
COCC1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020238745	1	43	-1.0	-51.86	336.64	5.08	-46.78
CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=N1	REAL300020238746	0	35	-1.0	-41.06	322.14	2.96	-38.10
CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=N1	REAL300020238746	1	35	-1.0	-41.08	322.09	2.94	-38.14
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=N1	REAL300020238747	0	35	-1.0	-42.18	302.96	2.50	-39.68
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=N1	REAL300020238747	1	35	-1.0	-42.18	302.90	2.49	-39.69
CSCC[C@H](NC(=O)NC1=CN(C)N=C1Cl)C1=NN=N[N-]1	REAL300020238748	0	35	-1.0	-43.51	331.12	1.55	-41.96
CSCC[C@H](NC(=O)NC1=CN(C)N=C1Cl)C1=N[N-]N=N1	REAL300020238748	1	35	-1.0	-43.48	331.06	1.53	-41.95
CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=N1	REAL300020238749	0	38	-1.0	-45.54	311.51	3.48	-42.06
CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=N1	REAL300020238749	1	38	-1.0	-45.52	311.46	3.48	-42.04
COCCOC1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020238750	0	44	-1.0	-45.08	381.93	3.53	-41.55
COCCOC1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020238750	1	44	-1.0	-45.08	381.87	3.50	-41.58
COCCOC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020238751	0	44	-1.0	-46.88	362.75	3.06	-43.82
COCCOC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020238751	1	44	-1.0	-46.86	362.70	3.04	-43.82
COCCOC1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020238752	0	41	-1.0	-55.93	347.28	2.14	-53.79
COCCOC1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020238752	1	41	-1.0	-55.89	347.22	2.12	-53.77
COCCOC1=CC=NC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020238753	0	44	-1.0	-49.89	390.90	2.10	-47.79
COCCOC1=CC=NC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020238753	1	44	-1.0	-49.94	390.85	2.09	-47.85
COCCOC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020238754	0	41	-1.0	-46.46	348.77	2.19	-44.27
COCCOC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020238754	1	41	-1.0	-46.42	348.69	2.17	-44.25
COCCOC1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020238755	0	47	-1.0	-52.28	370.97	3.91	-48.37
COCCOC1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020238755	1	47	-1.0	-52.28	370.92	3.90	-48.38
CC(C)(C)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020238756	0	45	-1.0	-44.81	373.78	7.47	-37.34
CC(C)(C)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020238756	1	45	-1.0	-44.81	373.72	7.44	-37.37
CC(C)(C)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020238757	0	45	-1.0	-46.91	354.60	7.00	-39.91
CC(C)(C)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020238757	1	45	-1.0	-46.93	354.54	6.99	-39.94
CC(C)(C)C1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020238758	0	42	-1.0	-56.78	339.14	6.08	-50.70
CC(C)(C)C1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020238758	1	42	-1.0	-56.77	339.08	6.06	-50.71
CSCC[C@H](NC(=O)NC1=NC=CC(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300020238759	0	45	-1.0	-50.02	382.76	6.04	-43.98
CSCC[C@H](NC(=O)NC1=NC=CC(C(C)(C)C)=N1)C1=N[N-]N=N1	REAL300020238759	1	45	-1.0	-50.02	382.71	6.03	-43.99
CC(C)(C)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020238760	0	42	-1.0	-46.46	340.62	6.13	-40.33
CC(C)(C)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020238760	1	42	-1.0	-46.46	340.54	6.12	-40.34
CC(C)(C)C1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020238761	0	48	-1.0	-52.29	363.05	7.86	-44.43
CC(C)(C)C1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020238761	1	48	-1.0	-52.27	363.00	7.84	-44.43
CCOC1=CC(S(C)(=O)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238762	0	48	-1.0	-50.38	394.45	2.19	-48.19
CCOC1=CC(S(C)(=O)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238762	1	48	-1.0	-50.40	394.50	2.20	-48.20
CCOC1=CC(S(C)(=O)=O)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238763	0	45	-1.0	-61.74	379.02	1.26	-60.48
CCOC1=CC(S(C)(=O)=O)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238763	1	45	-1.0	-61.77	379.08	1.28	-60.49
CCOC1=CC(S(C)(=O)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238764	0	45	-1.0	-51.39	381.19	1.30	-50.09
CCOC1=CC(S(C)(=O)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238764	1	45	-1.0	-51.38	381.26	1.32	-50.06
COC1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238765	0	34	-2.0	-82.08	317.37	-0.48	-82.56
COC1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238765	1	34	-2.0	-82.11	317.31	-0.51	-82.62
COC1=NSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238765	1	35	-1.0	-48.14	320.64	0.69	-47.45
COC1=NSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238765	1	35	-1.0	-48.12	320.59	0.66	-47.46
COC1=NSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238766	0	35	-1.0	-42.71	301.43	0.23	-42.48
COC1=NSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238766	1	35	-1.0	-42.66	301.38	0.22	-42.44
COC1=NSC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020238767	0	35	-1.0	-44.59	329.61	-0.73	-45.32
COC1=NSC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020238767	1	35	-1.0	-44.56	329.55	-0.74	-45.30
COC1=NSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238768	0	38	-1.0	-47.43	309.67	1.08	-46.35
COC1=NSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238768	1	38	-1.0	-47.41	309.62	1.08	-46.33
CC1=CC=CN2C=C(C3=CC=CC(NC(=O)N4CCCC4C4=N[N-]N=N4)=C3)N=C12	REAL300020238769	0	48	-1.0	-79.09	395.77	8.15	-70.94
CC1=CC=CN2C=C(C3=CC=CC(NC(=O)N4CCCC4C4=NN=N[N-]4)=C3)N=C12	REAL300020238769	1	48	-1.0	-79.06	395.83	8.16	-70.90
CC1=CC=CN2C=C(C3=CC=CC(NC(=O)N4CCC(C5=N[N-]N=N5)C4)=C3)N=C12	REAL300020238770	0	48	-1.0	-60.42	397.12	8.19	-52.23
CC1=CC=CN2C=C(C3=CC=CC(NC(=O)N4CCC(C5=NN=N[N-]5)C4)=C3)N=C12	REAL300020238770	1	48	-1.0	-60.47	397.19	8.21	-52.26
O=C(NC1=CC=C2C(=C1)OC(=O)N2CC1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238771	0	48	-1.0	-45.26	391.86	6.79	-38.47
O=C(NC1=CC=C2C(=C1)OC(=O)N2CC1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238771	1	48	-1.0	-45.27	391.92	6.81	-38.46
O=C(NC1=CC=C2C(=C1)OC(=O)N2CC1CC1)N1CCCC1C1=N[N-]N=N1	REAL300020238772	0	45	-1.0	-51.68	376.30	5.89	-45.79
O=C(NC1=CC=C2C(=C1)OC(=O)N2CC1CC1)N1CCCC1C1=NN=N[N-]1	REAL300020238772	1	45	-1.0	-51.69	376.36	5.91	-45.78
O=C(NC1=CC=C2C(=C1)OC(=O)N2CC1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238773	0	45	-1.0	-53.09	377.53	5.98	-47.11
O=C(NC1=CC=C2C(=C1)OC(=O)N2CC1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238773	1	45	-1.0	-53.08	377.60	6.00	-47.08
O=C(NC1=CC=C2C(=C1)OC(=O)N2CC1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238774	0	51	-1.0	-46.57	398.14	7.70	-38.87
O=C(NC1=CC=C2C(=C1)OC(=O)N2CC1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238774	1	51	-1.0	-46.58	398.18	7.72	-38.86
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238775	0	57	0.0	-68.81	423.62	7.03	-61.78
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238775	1	57	0.0	-68.83	423.67	7.04	-61.79
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238776	0	54	0.0	-68.08	407.64	6.12	-61.96
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238776	1	54	0.0	-68.06	407.70	6.13	-61.93
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238777	0	54	0.0	-61.44	409.04	6.16	-55.28
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238777	1	54	0.0	-61.48	409.11	6.18	-55.30
CCCCC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=N1	REAL300020238778	0	49	-1.0	-43.88	402.00	6.89	-36.99
CCCCC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=N1	REAL300020238778	1	49	-1.0	-43.86	401.94	6.87	-36.99
CCCCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020238779	0	49	-1.0	-42.46	380.43	6.25	-36.21
CCCCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020238779	1	49	-1.0	-42.47	380.49	6.26	-36.21
CCCCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020238780	0	46	-1.0	-52.30	366.69	5.42	-46.88
CCCCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020238780	1	46	-1.0	-52.29	366.74	5.45	-46.84
CCCCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020238781	0	49	-1.0	-45.76	410.20	5.37	-40.39
CCCCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020238781	1	49	-1.0	-45.76	410.26	5.39	-40.37
CCCCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020238782	0	46	-1.0	-43.17	368.06	5.48	-37.69
CCCCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020238782	1	46	-1.0	-43.18	368.13	5.49	-37.69
CCCCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020238783	0	52	-1.0	-48.56	388.37	7.14	-41.42
CCCCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020238783	1	52	-1.0	-48.60	388.42	7.16	-41.44
O=C(NC1=NOC2=C1CCCC2)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238784	0	41	-1.0	-47.43	343.60	6.08	-41.35
O=C(NC1=NOC2=C1CCCC2)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238784	1	41	-1.0	-47.40	343.54	6.05	-41.35
O=C(NC1=NOC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238785	0	41	-1.0	-49.30	324.34	5.59	-43.71
O=C(NC1=NOC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238785	1	41	-1.0	-49.32	324.39	5.61	-43.71
O=C(NC1=NOC2=C1CCCC2)N1CCCC1C1=N[N-]N=N1	REAL300020238786	0	38	-1.0	-62.49	308.89	4.67	-57.82
O=C(NC1=NOC2=C1CCCC2)N1CCCC1C1=NN=N[N-]1	REAL300020238786	1	38	-1.0	-62.53	308.95	4.69	-57.84
CSCC[C@H](NC(=O)NC1=NOC2=C1CCCC2)C1=N[N-]N=N1	REAL300020238787	0	41	-1.0	-54.17	352.51	4.64	-49.53
CSCC[C@H](NC(=O)NC1=NOC2=C1CCCC2)C1=NN=N[N-]1	REAL300020238787	1	41	-1.0	-54.19	352.57	4.65	-49.54
O=C(NC1=NOC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020238788	0	38	-1.0	-50.49	310.37	4.72	-45.77
O=C(NC1=NOC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020238788	1	38	-1.0	-50.52	310.45	4.74	-45.78
O=C(NC1=NOC2=C1CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020238789	0	44	-1.0	-58.83	332.57	6.45	-52.38
O=C(NC1=NOC2=C1CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020238789	1	44	-1.0	-58.85	332.62	6.46	-52.39
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCOC(=O)C2=C1	REAL300020238790	0	42	-1.0	-54.06	358.66	5.77	-48.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCOC(=O)C2=C1	REAL300020238790	1	42	-1.0	-54.09	358.60	5.74	-48.35
O=C(NC1=CC=C2CCOC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238791	0	42	-1.0	-47.67	338.60	5.27	-42.40
O=C(NC1=CC=C2CCOC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238791	1	42	-1.0	-47.67	338.66	5.28	-42.39
O=C(NC1=CC=C2CCOC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238792	0	39	-1.0	-74.37	324.25	4.34	-70.03
O=C(NC1=CC=C2CCOC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238792	1	39	-1.0	-74.36	324.31	4.35	-70.01
CSCC[C@H](NC(=O)NC1=CC=C2CCOC(=O)C2=C1)C1=N[N-]N=N1	REAL300020238793	0	42	-1.0	-59.04	367.79	4.30	-54.74
CSCC[C@H](NC(=O)NC1=CC=C2CCOC(=O)C2=C1)C1=NN=N[N-]1	REAL300020238793	1	42	-1.0	-59.01	367.84	4.32	-54.69
O=C(NC1=CC=C2CCOC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238794	0	39	-1.0	-57.54	325.96	4.36	-53.18
O=C(NC1=CC=C2CCOC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238794	1	39	-1.0	-57.54	326.04	4.37	-53.17
O=C(NC1=CC=C2CCOC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238795	0	45	-1.0	-47.92	352.36	5.41	-42.51
O=C(NC1=CC=C2CCOC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238795	1	45	-1.0	-50.57	352.33	5.41	-45.16
CCC1=NN(C)C(CC)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238796	0	47	-1.0	-44.87	385.23	4.89	-39.98
CCC1=NN(C)C(CC)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238796	1	47	-1.0	-44.85	385.17	4.86	-39.99
CCC1=NN(C)C(CC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238797	0	47	-1.0	-45.60	367.89	4.40	-41.20
CCC1=NN(C)C(CC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238797	1	47	-1.0	-45.67	367.95	4.41	-41.26
CCC1=NN(C)C(CC)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238798	0	44	-1.0	-58.51	352.72	3.40	-55.11
CCC1=NN(C)C(CC)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238798	1	44	-1.0	-58.53	352.78	3.42	-55.11
CCC1=NN(C)C(CC)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020238799	0	47	-1.0	-50.36	397.72	3.41	-46.95
CCC1=NN(C)C(CC)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020238799	1	47	-1.0	-50.36	397.78	3.43	-46.93
CCC1=NN(C)C(CC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238800	0	44	-1.0	-46.97	351.49	3.48	-43.49
CCC1=NN(C)C(CC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238800	1	44	-1.0	-46.96	351.57	3.50	-43.46
CCC1=NN(C)C(CC)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238801	0	50	-1.0	-43.35	375.01	4.27	-39.08
CCC1=NN(C)C(CC)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238801	1	50	-1.0	-43.31	375.06	4.29	-39.02
O=C(NC1=CC(C(F)(F)F)=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238802	0	38	-1.0	-40.51	340.42	5.85	-34.66
O=C(NC1=CC(C(F)(F)F)=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238802	1	38	-1.0	-40.55	340.48	5.86	-34.69
O=C(NC1=CC(C(F)(F)F)=C(Cl)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020238803	0	35	-1.0	-48.97	325.45	4.92	-44.05
O=C(NC1=CC(C(F)(F)F)=C(Cl)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020238803	1	35	-1.0	-48.97	325.50	4.93	-44.04
O=C(NC1=CC(C(F)(F)F)=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020238804	0	35	-1.0	-40.95	326.79	4.97	-35.98
O=C(NC1=CC(C(F)(F)F)=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020238804	1	35	-1.0	-40.98	326.87	4.99	-35.99
CCC1=CC=CC(OC)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238805	0	45	-1.0	-46.30	370.50	7.00	-39.30
CCC1=CC=CC(OC)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238805	1	45	-1.0	-46.31	370.44	6.98	-39.33
CCC1=CC=CC(OC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238806	0	45	-1.0	-46.14	351.64	6.55	-39.59
CCC1=CC=CC(OC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238806	1	45	-1.0	-46.15	351.70	6.56	-39.59
CCC1=CC=CC(OC)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238807	0	42	-1.0	-56.88	343.38	4.41	-52.47
CCC1=CC=CC(OC)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238807	1	42	-1.0	-56.89	343.43	4.44	-52.45
CCC1=CC=CC(OC)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020238808	0	45	-1.0	-50.07	386.90	4.38	-45.69
CCC1=CC=CC(OC)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020238808	1	45	-1.0	-50.06	386.95	4.40	-45.66
CCC1=CC=CC(OC)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238809	0	42	-1.0	-46.87	341.43	4.31	-42.56
CCC1=CC=CC(OC)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238809	1	42	-1.0	-46.90	341.50	4.32	-42.58
CCC1=CC=CC(OC)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238810	0	48	-1.0	-50.78	358.91	7.04	-43.74
CCC1=CC=CC(OC)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238810	1	48	-1.0	-50.75	358.81	7.07	-43.68
CCOC1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238811	0	42	-1.0	-43.28	359.47	5.19	-38.09
CCOC1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238811	1	42	-1.0	-43.27	359.41	5.16	-38.11
CCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238812	0	42	-1.0	-45.12	341.29	4.67	-40.45
CCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238812	1	42	-1.0	-45.12	341.35	4.69	-40.43
CCOC1=CC=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238813	0	39	-1.0	-55.26	324.77	3.78	-51.48
CCOC1=CC=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238813	1	39	-1.0	-55.25	324.83	3.80	-51.45
CCOC1=CC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020238814	0	42	-1.0	-49.89	368.28	3.74	-46.15
CCOC1=CC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020238814	1	42	-1.0	-49.88	368.34	3.75	-46.13
CCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238815	0	39	-1.0	-45.15	326.93	3.83	-41.32
CCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238815	1	39	-1.0	-45.17	327.01	3.85	-41.32
CCOC1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238816	0	45	-1.0	-51.18	348.76	5.56	-45.62
CCOC1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238816	1	45	-1.0	-51.20	348.81	5.57	-45.63
O=C(NC1=C(Br)C=NN1C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238817	0	39	-1.0	-41.53	339.23	4.81	-36.72
O=C(NC1=C(Br)C=NN1C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238817	1	39	-1.0	-41.48	339.17	4.79	-36.69
O=C(NC1=C(Br)C=NN1C1CC1)N1CCCC1C1=NN=N[N-]1	REAL300020238818	0	36	-1.0	-51.40	325.15	3.89	-47.51
O=C(NC1=C(Br)C=NN1C1CC1)N1CCCC1C1=N[N-]N=N1	REAL300020238818	1	36	-1.0	-51.37	325.09	3.87	-47.50
O=C(NC1=C(Br)C=NN1C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238819	0	36	-1.0	-41.84	327.52	4.10	-37.74
O=C(NC1=C(Br)C=NN1C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238819	1	36	-1.0	-41.86	327.45	4.09	-37.77
O=C(NC1=C(Br)C=NN1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238820	0	42	-1.0	-41.28	346.55	4.69	-36.59
O=C(NC1=C(Br)C=NN1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238820	1	42	-1.0	-41.28	346.51	4.68	-36.60
CC(C)(C)OC(=O)NCC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020238821	0	52	-1.0	-54.31	412.91	4.05	-50.26
CC(C)(C)OC(=O)NCC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020238821	1	52	-1.0	-54.32	412.97	4.08	-50.24
CC(C)(C)OC(=O)NCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020238822	0	52	-1.0	-44.23	414.25	4.11	-40.12
CC(C)(C)OC(=O)NCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020238822	1	52	-1.0	-44.22	414.33	4.12	-40.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(F)C(F)=C1	REAL300020238823	0	34	-1.0	-54.43	310.72	3.03	-51.40
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(F)C(F)=C1	REAL300020238823	1	34	-1.0	-54.42	310.67	3.00	-51.42
O=C(NC1=CN=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238824	0	34	-1.0	-43.83	291.99	2.54	-41.29
O=C(NC1=CN=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238824	1	34	-1.0	-43.76	291.93	2.52	-41.24
CSCC[C@H](NC(=O)NC1=CN=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020238825	0	34	-1.0	-44.93	319.75	1.61	-43.32
CSCC[C@H](NC(=O)NC1=CN=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020238825	1	34	-1.0	-44.95	319.70	1.60	-43.35
O=C(NC1=CN=C(F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238826	0	37	-1.0	-47.42	299.74	3.42	-44.00
O=C(NC1=CN=C(F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238826	1	37	-1.0	-47.44	299.68	3.41	-44.03
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1Cl	REAL300020238827	0	35	-1.0	-40.29	316.78	5.41	-34.88
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1Cl	REAL300020238827	1	35	-1.0	-40.27	316.73	5.39	-34.88
O=C(NC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238828	0	35	-1.0	-41.97	298.01	4.92	-37.05
O=C(NC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238828	1	35	-1.0	-41.98	298.07	4.93	-37.05
CSCC[C@H](NC(=O)NC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020238829	0	35	-1.0	-44.91	326.11	3.97	-40.94
CSCC[C@H](NC(=O)NC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020238829	1	35	-1.0	-44.92	326.16	3.98	-40.94
O=C(NC1=CC=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020238830	0	38	-1.0	-47.33	306.40	5.91	-41.42
O=C(NC1=CC=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020238830	1	38	-1.0	-47.33	306.46	5.92	-41.41
CN1C=C(CNC(=O)OC(C)(C)C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020238831	0	52	-1.0	-62.25	421.25	2.81	-59.44
CN1C=C(CNC(=O)OC(C)(C)C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020238831	1	52	-1.0	-62.27	421.19	2.80	-59.47
CN1C=C(CNC(=O)OC(C)(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020238832	0	52	-1.0	-51.93	422.73	2.87	-49.06
CN1C=C(CNC(=O)OC(C)(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020238832	1	52	-1.0	-51.93	422.66	2.86	-49.07
O=C(NC1=CC=C(Br)C(Cl)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020238833	0	32	-1.0	-46.24	309.15	4.57	-41.67
O=C(NC1=CC=C(Br)C(Cl)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020238833	1	32	-1.0	-46.26	309.21	4.57	-41.69
O=C(NC1=CC=C(Br)C(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020238834	0	32	-1.0	-39.01	311.34	4.61	-34.40
O=C(NC1=CC=C(Br)C(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020238834	1	32	-1.0	-39.01	311.41	4.63	-34.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=CC=CC=C2C=N1	REAL300020238835	0	40	-1.0	-46.61	345.60	6.76	-39.85
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=CC=CC=C2C=N1	REAL300020238835	1	40	-1.0	-46.57	345.54	6.74	-39.83
O=C(NC1=CC2=CC=CC=C2C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238836	0	40	-1.0	-46.38	323.84	5.65	-40.73
O=C(NC1=CC2=CC=CC=C2C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238836	1	40	-1.0	-46.38	323.78	5.64	-40.74
O=C(NC1=CC2=CC=CC=C2C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020238837	0	37	-1.0	-60.39	311.08	5.38	-55.01
O=C(NC1=CC2=CC=CC=C2C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020238837	1	37	-1.0	-60.41	311.02	5.35	-55.06
CSCC[C@H](NC(=O)NC1=CC2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL300020238838	0	40	-1.0	-52.97	354.61	5.34	-47.63
CSCC[C@H](NC(=O)NC1=CC2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL300020238838	1	40	-1.0	-52.97	354.55	5.32	-47.65
O=C(NC1=CC2=CC=CC=C2C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238839	0	37	-1.0	-49.35	312.45	5.43	-43.92
O=C(NC1=CC2=CC=CC=C2C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238839	1	37	-1.0	-49.44	312.38	5.42	-44.02
O=C(NC1=CC2=CC=CC=C2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238840	0	43	-1.0	-47.73	339.19	6.33	-41.40
O=C(NC1=CC2=CC=CC=C2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238840	1	43	-1.0	-47.74	339.12	6.32	-41.42
CC1=C(Br)N=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020238841	0	33	-2.0	-88.64	328.02	3.42	-85.22
CC1=C(Br)N=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020238841	1	33	-2.0	-88.66	327.96	3.39	-85.27
CC1=C(Br)N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020238841	1	34	-1.0	-46.27	331.29	4.62	-41.65
CC1=C(Br)N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020238841	1	34	-1.0	-46.24	331.23	4.60	-41.64
CC1=C(Br)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020238842	0	34	-1.0	-48.38	313.06	4.19	-44.19
CC1=C(Br)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020238842	1	34	-1.0	-48.32	313.00	4.18	-44.14
CC1=C(Br)N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020238843	0	31	-1.0	-59.98	296.63	3.22	-56.76
CC1=C(Br)N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020238843	1	31	-1.0	-60.03	296.57	3.21	-56.82
CSCC[C@H](NC(=O)NC1=NC(Br)=C(C)S1)C1=NN=N[N-]1	REAL300020238844	0	34	-1.0	-52.18	340.26	3.19	-48.99
CSCC[C@H](NC(=O)NC1=NC(Br)=C(C)S1)C1=N[N-]N=N1	REAL300020238844	1	34	-1.0	-52.14	340.20	3.18	-48.96
CC1=C(Br)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020238845	0	31	-1.0	-49.17	299.07	3.33	-45.84
CC1=C(Br)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020238845	1	31	-1.0	-49.16	298.99	3.32	-45.84
CC1=C(Br)N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020238846	0	37	-1.0	-55.02	320.33	5.00	-50.02
CC1=C(Br)N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020238846	1	37	-1.0	-54.98	320.28	5.00	-49.98
CC1=NSC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238847	0	34	-1.0	-41.01	305.39	3.15	-37.86
CC1=NSC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238847	1	34	-1.0	-41.00	305.33	3.13	-37.87
CSCC[C@H](NC(=O)NC1=CSN=C1C)C1=N[N-]N=N1	REAL300020238848	0	34	-1.0	-44.66	314.16	1.71	-42.95
CSCC[C@H](NC(=O)NC1=CSN=C1C)C1=NN=N[N-]1	REAL300020238848	1	34	-1.0	-44.66	314.22	1.72	-42.94
CC1=NSC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238849	0	37	-1.0	-48.37	294.51	3.65	-44.72
CC1=NSC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238849	1	37	-1.0	-48.37	294.56	3.66	-44.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2NC=NC(=O)C2=C1	REAL300020238850	0	40	-1.0	-55.57	349.10	3.10	-52.47
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2NC=NC(=O)C2=C1	REAL300020238850	1	40	-1.0	-55.57	349.05	3.08	-52.49
O=C(NC1=CC=C2NC=NC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238851	0	40	-1.0	-55.78	329.97	2.59	-53.19
O=C(NC1=CC=C2NC=NC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238851	1	40	-1.0	-55.80	330.02	2.60	-53.20
O=C(NC1=CC=C2NC=NC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238852	0	37	-1.0	-80.97	314.75	1.67	-79.30
O=C(NC1=CC=C2NC=NC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238852	1	37	-1.0	-80.96	314.81	1.68	-79.28
CSCC[C@H](NC(=O)NC1=CC=C2NC=NC(=O)C2=C1)C1=N[N-]N=N1	REAL300020238853	0	40	-1.0	-81.41	358.23	1.63	-79.78
CSCC[C@H](NC(=O)NC1=CC=C2NC=NC(=O)C2=C1)C1=NN=N[N-]1	REAL300020238853	1	40	-1.0	-81.37	358.29	1.65	-79.72
O=C(NC1=CC=C2NC=NC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238854	0	37	-1.0	-55.47	316.06	1.72	-53.75
O=C(NC1=CC=C2NC=NC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238854	1	37	-1.0	-55.45	316.14	1.73	-53.72
O=C(NC1=CC=C2NC=NC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238855	0	43	-1.0	-60.91	344.00	2.84	-58.07
O=C(NC1=CC=C2NC=NC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238855	1	43	-1.0	-60.90	344.06	2.86	-58.04
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2C(=O)CCC2=O)=C1	REAL300020238856	0	45	-1.0	-50.70	388.87	5.33	-45.37
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2C(=O)CCC2=O)=C1	REAL300020238856	1	45	-1.0	-50.68	388.82	5.31	-45.37
O=C(NC1=CC=CC(N2C(=O)CCC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238857	0	45	-1.0	-52.36	370.64	4.85	-47.51
O=C(NC1=CC=CC(N2C(=O)CCC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238857	1	45	-1.0	-52.34	370.70	4.87	-47.47
O=C(NC1=CC(N2C(=O)CCC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238858	0	42	-1.0	-63.19	355.51	3.95	-59.24
O=C(NC1=CC(N2C(=O)CCC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238858	1	42	-1.0	-63.20	355.57	3.97	-59.23
CSCC[C@H](NC(=O)NC1=CC=CC(N2C(=O)CCC2=O)=C1)C1=N[N-]N=N1	REAL300020238859	0	45	-1.0	-59.03	398.99	3.91	-55.12
CSCC[C@H](NC(=O)NC1=CC=CC(N2C(=O)CCC2=O)=C1)C1=NN=N[N-]1	REAL300020238859	1	45	-1.0	-59.06	399.05	3.92	-55.14
O=C(NC1=CC=CC(N2C(=O)CCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238860	0	42	-1.0	-52.53	356.25	4.02	-48.51
O=C(NC1=CC=CC(N2C(=O)CCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238860	1	42	-1.0	-52.55	356.32	4.03	-48.52
O=C(NC1=CC(N2C(=O)CCC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238861	0	48	-1.0	-56.81	383.47	4.98	-51.83
O=C(NC1=CC(N2C(=O)CCC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238861	1	48	-1.0	-56.78	383.51	4.98	-51.80
O=C(NC1=CC=C(N2C(=O)CCC2=O)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238862	0	45	-1.0	-65.75	389.71	5.31	-60.44
O=C(NC1=CC=C(N2C(=O)CCC2=O)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238862	1	45	-1.0	-65.74	389.77	5.33	-60.41
O=C(NC1=CC=C(N2C(=O)CCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238863	0	45	-1.0	-53.93	370.70	4.86	-49.07
O=C(NC1=CC=C(N2C(=O)CCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238863	1	45	-1.0	-53.94	370.76	4.87	-49.07
O=C(NC1=CC=C(N2C(=O)CCC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238864	0	42	-1.0	-65.85	353.76	3.91	-61.94
O=C(NC1=CC=C(N2C(=O)CCC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238864	1	42	-1.0	-65.81	353.82	3.94	-61.87
CSCC[C@H](NC(=O)NC1=CC=C(N2C(=O)CCC2=O)C=C1)C1=N[N-]N=N1	REAL300020238865	0	45	-1.0	-58.94	399.01	3.91	-55.03
CSCC[C@H](NC(=O)NC1=CC=C(N2C(=O)CCC2=O)C=C1)C1=NN=N[N-]1	REAL300020238865	1	45	-1.0	-58.95	399.07	3.93	-55.02
O=C(NC1=CC=C(N2C(=O)CCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238866	0	42	-1.0	-53.81	355.07	3.97	-49.84
O=C(NC1=CC=C(N2C(=O)CCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238866	1	42	-1.0	-53.76	355.15	3.99	-49.77
O=C(NC1=CC=C(N2C(=O)CCC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238867	0	48	-1.0	-61.40	377.81	5.86	-55.54
O=C(NC1=CC=C(N2C(=O)CCC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238867	1	48	-1.0	-61.40	377.82	5.88	-55.52
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1	REAL300020238868	0	40	-1.0	-52.86	352.47	6.18	-46.68
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1	REAL300020238868	1	40	-1.0	-52.83	352.41	6.15	-46.68
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC([N+](=O)[O-])=C1	REAL300020238869	0	40	-1.0	-51.01	333.79	5.61	-45.40
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1	REAL300020238869	1	40	-1.0	-51.03	333.85	5.62	-45.41
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020238870	0	37	-1.0	-66.16	318.08	4.74	-61.42
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020238870	1	37	-1.0	-66.19	318.14	4.75	-61.44
CSCC[C@H](NC(=O)NC1=CC(C)=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020238871	0	40	-1.0	-51.45	361.92	4.67	-46.78
CSCC[C@H](NC(=O)NC1=CC(C)=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020238871	1	40	-1.0	-51.45	361.98	4.69	-46.76
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1	REAL300020238872	0	37	-1.0	-42.10	319.51	4.80	-37.30
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020238872	1	37	-1.0	-42.12	319.59	4.80	-37.32
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020238873	0	43	-1.0	-42.40	346.12	5.77	-36.63
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020238873	1	43	-1.0	-42.38	346.16	5.79	-36.59
CC1=CN=C(F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238874	0	37	-1.0	-41.49	325.04	3.66	-37.83
CC1=CN=C(F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238874	1	37	-1.0	-41.47	324.98	3.64	-37.83
CC1=CN=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238875	0	37	-1.0	-41.97	304.59	3.18	-38.79
CC1=CN=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238875	1	37	-1.0	-41.99	304.53	3.16	-38.83
CSCC[C@H](NC(=O)NC1=CC(C)=CN=C1F)C1=NN=N[N-]1	REAL300020238876	0	37	-1.0	-45.70	334.36	2.24	-43.46
CSCC[C@H](NC(=O)NC1=CC(C)=CN=C1F)C1=N[N-]N=N1	REAL300020238876	1	37	-1.0	-45.70	334.30	2.22	-43.48
CC1=CN=C(F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238877	0	40	-1.0	-47.05	313.49	4.06	-42.99
CC1=CN=C(F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238877	1	40	-1.0	-46.97	313.44	4.05	-42.92
COC1=CC=CC(CN2C=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C2=O)=N1	REAL300020238878	0	48	-1.0	-72.44	403.13	3.84	-68.60
COC1=CC=CC(CN2C=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C2=O)=N1	REAL300020238878	1	48	-1.0	-72.48	403.19	3.85	-68.63
COC1=CC=CC(CN2C=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=O)=N1	REAL300020238879	0	48	-1.0	-66.55	404.83	3.90	-62.65
COC1=CC=CC(CN2C=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=O)=N1	REAL300020238879	1	48	-1.0	-66.54	404.90	3.91	-62.63
O=C(NC1=CC(F)=C(N2CCOCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238880	0	48	-1.0	-44.56	380.37	3.38	-41.18
O=C(NC1=CC(F)=C(N2CCOCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238880	1	48	-1.0	-44.56	380.43	3.40	-41.16
O=C(NC1=CC(F)=C(N2CCOCC2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238881	0	45	-1.0	-53.71	364.79	2.49	-51.22
O=C(NC1=CC(F)=C(N2CCOCC2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238881	1	45	-1.0	-53.71	364.85	2.52	-51.19
O=C(NC1=CC(F)=C(N2CCOCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238882	0	45	-1.0	-43.75	366.46	2.51	-41.24
O=C(NC1=CC(F)=C(N2CCOCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238882	1	45	-1.0	-43.79	366.54	2.53	-41.26
O=C(NC1=NN2CCC(=O)NC2=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238883	0	39	-1.0	-48.97	341.02	5.82	-43.15
O=C(NC1=NN2CCC(=O)NC2=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238883	1	39	-1.0	-48.94	340.96	5.80	-43.14
O=C(NC1=NN2CCC(=O)NC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238884	0	39	-1.0	-50.95	321.85	5.34	-45.61
O=C(NC1=NN2CCC(=O)NC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238884	1	39	-1.0	-50.94	321.79	5.33	-45.61
O=C(NC1=NN2CCC(=O)NC2=N1)N1CCCC1C1=NN=N[N-]1	REAL300020238885	0	36	-1.0	-60.94	306.38	4.44	-56.50
O=C(NC1=NN2CCC(=O)NC2=N1)N1CCCC1C1=N[N-]N=N1	REAL300020238885	1	36	-1.0	-60.96	306.32	4.42	-56.54
CSCC[C@H](NC(=O)NC1=NN2CCC(=O)NC2=N1)C1=NN=N[N-]1	REAL300020238886	0	39	-1.0	-54.19	350.00	4.41	-49.78
CSCC[C@H](NC(=O)NC1=NN2CCC(=O)NC2=N1)C1=N[N-]N=N1	REAL300020238886	1	39	-1.0	-54.20	349.94	4.39	-49.81
O=C(NC1=NN2CCC(=O)NC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238887	0	36	-1.0	-50.97	307.87	4.49	-46.48
O=C(NC1=NN2CCC(=O)NC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238887	1	36	-1.0	-50.96	307.79	4.48	-46.48
O=C(NC1=NN2CCC(=O)NC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238888	0	42	-1.0	-57.09	330.07	6.21	-50.88
O=C(NC1=NN2CCC(=O)NC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238888	1	42	-1.0	-57.04	330.01	6.21	-50.83
CCC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020238889	0	43	-1.0	-50.95	370.99	6.12	-44.83
CCC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020238889	1	43	-1.0	-50.94	370.93	6.10	-44.84
CCC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020238890	0	43	-1.0	-47.12	350.40	5.68	-41.44
CCC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020238890	1	43	-1.0	-47.14	350.46	5.70	-41.44
CCC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020238891	0	40	-1.0	-54.88	336.46	4.71	-50.17
CCC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020238891	1	40	-1.0	-54.90	336.52	4.73	-50.17
CCC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020238892	0	43	-1.0	-47.95	379.97	4.69	-43.26
CCC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020238892	1	43	-1.0	-47.96	380.03	4.71	-43.25
CCC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020238893	0	40	-1.0	-47.92	337.83	4.78	-43.14
CCC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020238893	1	40	-1.0	-47.96	337.90	4.78	-43.18
CCC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020238894	0	46	-1.0	-39.38	364.24	5.82	-33.56
CCC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020238894	1	46	-1.0	-39.38	364.28	5.81	-33.57
CC1=NC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238895	0	37	-1.0	-43.45	323.15	3.87	-39.58
CC1=NC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238895	1	37	-1.0	-43.41	323.10	3.84	-39.57
CC1=NC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238896	0	37	-1.0	-42.10	301.57	3.22	-38.88
CC1=NC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238896	1	37	-1.0	-42.11	301.63	3.24	-38.87
CSCC[C@H](NC(=O)NC1=CC=C(F)N=C1C)C1=N[N-]N=N1	REAL300020238897	0	37	-1.0	-44.11	331.35	2.34	-41.77
CSCC[C@H](NC(=O)NC1=CC=C(F)N=C1C)C1=NN=N[N-]1	REAL300020238897	1	37	-1.0	-44.13	331.41	2.36	-41.77
CC1=NC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020238898	0	40	-1.0	-46.88	309.53	4.11	-42.77
CC1=NC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020238898	1	40	-1.0	-46.86	309.57	4.13	-42.73
O=C(NC1=CC=CC(C(F)(F)CC(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238899	0	41	-1.0	-54.00	357.81	5.96	-48.04
O=C(NC1=CC=CC(C(F)(F)CC(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238899	1	41	-1.0	-54.04	357.87	5.98	-48.06
O=C(NC1=CC=CC(C(F)(F)CC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238900	0	41	-1.0	-49.34	359.15	6.01	-43.33
O=C(NC1=CC=CC(C(F)(F)CC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238900	1	41	-1.0	-49.37	359.23	6.03	-43.34
CCCCC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020238901	0	49	-1.0	-46.19	413.79	7.68	-38.51
CCCCC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020238901	1	49	-1.0	-46.19	413.85	7.70	-38.49
CCCCC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020238902	0	49	-1.0	-46.86	393.40	7.23	-39.63
CCCCC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020238902	1	49	-1.0	-46.84	393.45	7.24	-39.60
CCCCC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020238903	0	46	-1.0	-54.66	379.46	6.27	-48.39
CCCCC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020238903	1	46	-1.0	-54.67	379.52	6.28	-48.39
CCCCC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1F	REAL300020238904	0	49	-1.0	-47.15	422.97	6.24	-40.91
CCCCC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1F	REAL300020238904	1	49	-1.0	-47.15	423.03	6.25	-40.90
CCCCC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020238905	0	46	-1.0	-47.61	380.82	6.33	-41.28
CCCCC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020238905	1	46	-1.0	-47.62	380.90	6.34	-41.28
CCCCC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020238906	0	52	-1.0	-38.84	407.17	7.36	-31.48
CCCCC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020238906	1	52	-1.0	-38.83	407.21	7.37	-31.46
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C(F)(F)CF)=C1	REAL300020238907	0	41	-1.0	-53.29	362.90	6.47	-46.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C(F)(F)CF)=C1	REAL300020238907	1	41	-1.0	-53.27	362.85	6.45	-46.82
O=C(NC1=CC=CC(C(F)(F)CF)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238908	0	41	-1.0	-48.13	343.93	5.97	-42.16
O=C(NC1=CC=CC(C(F)(F)CF)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238908	1	41	-1.0	-48.14	343.99	5.98	-42.16
O=C(NC1=CC=CC(C(F)(F)CF)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238909	0	38	-1.0	-53.81	328.54	5.05	-48.76
O=C(NC1=CC=CC(C(F)(F)CF)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238909	1	38	-1.0	-53.82	328.60	5.06	-48.76
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)(F)CF)=C1)C1=N[N-]N=N1	REAL300020238910	0	41	-1.0	-47.72	371.77	5.04	-42.68
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)(F)CF)=C1)C1=NN=N[N-]1	REAL300020238910	1	41	-1.0	-47.71	371.83	5.06	-42.65
O=C(NC1=CC=CC(C(F)(F)CF)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238911	0	38	-1.0	-49.49	329.89	5.10	-44.39
O=C(NC1=CC=CC(C(F)(F)CF)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238911	1	38	-1.0	-49.54	329.96	5.11	-44.43
O=C(NC1=CC=CC(C(F)(F)CF)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238912	0	44	-1.0	-49.80	351.90	6.85	-42.95
O=C(NC1=CC=CC(C(F)(F)CF)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238912	1	44	-1.0	-49.80	351.95	6.87	-42.93
CC1(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)CC1	REAL300020238913	0	45	-1.0	-53.17	369.65	7.28	-45.89
CC1(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)CC1	REAL300020238913	1	45	-1.0	-53.19	369.59	7.26	-45.93
CC1(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)CC1	REAL300020238914	0	45	-1.0	-42.21	349.09	6.80	-35.41
CC1(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CC1	REAL300020238914	1	45	-1.0	-42.20	349.15	6.82	-35.38
CC1(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)CC1	REAL300020238915	0	42	-1.0	-54.46	334.95	5.88	-48.58
CC1(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)CC1	REAL300020238915	1	42	-1.0	-54.44	335.01	5.89	-48.55
CSCC[C@H](NC(=O)NC1=CC=CC(C2(C)CC2)=C1)C1=N[N-]N=N1	REAL300020238916	0	45	-1.0	-46.14	378.79	5.81	-40.33
CSCC[C@H](NC(=O)NC1=CC=CC(C2(C)CC2)=C1)C1=NN=N[N-]1	REAL300020238916	1	45	-1.0	-46.11	378.84	5.83	-40.28
CC1(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020238917	0	42	-1.0	-43.29	336.36	5.93	-37.36
CC1(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020238917	1	42	-1.0	-43.33	336.43	5.94	-37.39
CC1(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)CC1	REAL300020238918	0	48	-1.0	-42.47	365.02	6.95	-35.52
CC1(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)CC1	REAL300020238918	1	48	-1.0	-42.45	365.07	6.98	-35.47
CC1(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)CC1	REAL300020238919	0	45	-1.0	-41.77	369.32	7.33	-34.44
CC1(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)CC1	REAL300020238919	1	45	-1.0	-41.76	369.26	7.30	-34.46
CC1(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC1	REAL300020238920	0	45	-1.0	-43.90	350.53	6.77	-37.13
CC1(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020238920	1	45	-1.0	-43.86	350.59	6.78	-37.08
CC1(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020238921	0	42	-1.0	-53.53	334.79	5.88	-47.65
CC1(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020238921	1	42	-1.0	-53.57	334.85	5.89	-47.68
CSCC[C@H](NC(=O)NC1=CC=C(C2(C)CC2)C=C1)C1=N[N-]N=N1	REAL300020238922	0	45	-1.0	-46.54	378.77	5.81	-40.73
CSCC[C@H](NC(=O)NC1=CC=C(C2(C)CC2)C=C1)C1=NN=N[N-]1	REAL300020238922	1	45	-1.0	-46.57	378.83	5.83	-40.74
CC1(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020238923	0	42	-1.0	-44.04	336.62	5.90	-38.14
CC1(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020238923	1	42	-1.0	-44.04	336.69	5.91	-38.13
CC1(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020238924	0	48	-1.0	-41.79	363.08	6.95	-34.84
CC1(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020238924	1	48	-1.0	-41.75	363.11	6.95	-34.80
CC1(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020238925	0	45	-1.0	-48.18	373.03	7.78	-40.40
CC1(C2=CC=CC=C2NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020238925	1	45	-1.0	-48.17	372.97	7.75	-40.42
CC1(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020238926	0	45	-1.0	-42.87	353.88	7.25	-35.62
CC1(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020238926	1	45	-1.0	-42.86	353.94	7.26	-35.60
CC1(C2=CC=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300020238927	0	42	-1.0	-53.83	336.80	6.27	-47.56
CC1(C2=CC=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300020238927	1	42	-1.0	-53.77	336.86	6.29	-47.48
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1(C)CC1)C1=N[N-]N=N1	REAL300020238928	0	45	-1.0	-47.44	382.40	6.38	-41.06
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1(C)CC1)C1=NN=N[N-]1	REAL300020238928	1	45	-1.0	-47.49	382.46	6.40	-41.09
CC1(C2=CC=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020238929	0	42	-1.0	-43.15	338.97	6.37	-36.78
CC1(C2=CC=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020238929	1	42	-1.0	-43.17	339.04	6.39	-36.78
CC1(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020238930	0	48	-1.0	-50.43	361.23	8.11	-42.32
CC1(C2=CC=CC=C2NC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020238930	1	48	-1.0	-50.45	361.29	8.11	-42.34
CN1N=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(F)(F)F	REAL300020238931	0	38	-1.0	-43.36	337.08	3.46	-39.90
CN1N=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(F)(F)F	REAL300020238931	1	38	-1.0	-43.31	337.02	3.45	-39.86
CN1N=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(F)(F)F	REAL300020238932	0	35	-1.0	-53.86	327.83	2.52	-51.34
CN1N=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(F)(F)F	REAL300020238932	1	35	-1.0	-53.89	327.77	2.51	-51.38
CSCC[C@H](NC(=O)NC1=C(C(F)(F)F)N(C)N=C1Cl)C1=NN=N[N-]1	REAL300020238933	0	38	-1.0	-47.19	371.52	2.48	-44.71
CSCC[C@H](NC(=O)NC1=C(C(F)(F)F)N(C)N=C1Cl)C1=N[N-]N=N1	REAL300020238933	1	38	-1.0	-47.20	371.46	2.47	-44.73
CN1N=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020238934	0	35	-1.0	-44.60	328.18	2.55	-42.05
CN1N=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020238934	1	35	-1.0	-44.57	328.11	2.54	-42.03
CN1N=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(F)(F)F	REAL300020238935	0	41	-1.0	-40.58	339.84	3.50	-37.08
CN1N=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(F)(F)F	REAL300020238935	1	41	-1.0	-40.56	339.81	3.50	-37.06
COC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CN=C2C=C1	REAL300020238936	0	44	-1.0	-45.16	367.74	5.80	-39.36
COC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CN=C2C=C1	REAL300020238936	1	44	-1.0	-45.18	367.69	5.77	-39.41
COC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CN=C2C=C1	REAL300020238937	0	44	-1.0	-47.99	351.55	5.42	-42.57
COC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CN=C2C=C1	REAL300020238937	1	44	-1.0	-47.96	351.49	5.41	-42.55
COC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL300020238938	0	41	-1.0	-57.98	342.31	3.48	-54.50
COC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL300020238938	1	41	-1.0	-57.98	342.25	3.47	-54.51
COC1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL300020238939	0	44	-1.0	-52.62	385.84	3.43	-49.19
COC1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL300020238939	1	44	-1.0	-52.63	385.78	3.42	-49.21
COC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CN=C2C=C1	REAL300020238940	0	41	-1.0	-48.59	343.69	3.52	-45.07
COC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CN=C2C=C1	REAL300020238940	1	41	-1.0	-48.60	343.62	3.50	-45.10
COC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL300020238941	0	47	-1.0	-52.17	358.62	4.35	-47.82
COC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL300020238941	1	47	-1.0	-52.05	359.19	4.35	-47.70
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C2C=C1	REAL300020238942	0	44	-1.0	-49.49	364.93	7.82	-41.67
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C2C=C1	REAL300020238942	1	44	-1.0	-49.47	364.87	7.80	-41.67
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2C=C1	REAL300020238943	0	44	-1.0	-44.86	349.17	7.47	-37.39
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2C=C1	REAL300020238943	1	44	-1.0	-44.88	349.23	7.49	-37.39
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL300020238944	0	41	-1.0	-54.30	329.82	6.24	-48.06
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL300020238944	1	41	-1.0	-54.34	329.76	6.21	-48.13
CSCC[C@H](NC(=O)NC1=C(C)C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020238945	0	44	-1.0	-47.92	373.30	6.20	-41.72
CSCC[C@H](NC(=O)NC1=C(C)C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020238945	1	44	-1.0	-47.92	373.36	6.21	-41.71
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020238946	0	41	-1.0	-44.66	331.20	6.27	-38.39
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020238946	1	41	-1.0	-44.66	331.27	6.29	-38.37
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL300020238947	0	47	-1.0	-42.94	352.86	7.55	-35.39
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL300020238947	1	47	-1.0	-42.91	352.80	7.57	-35.34
O=C(NC1=NC2=CC=C(Br)C=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238948	0	37	-1.0	-62.90	332.20	5.89	-57.01
O=C(NC1=NC2=CC=C(Br)C=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238948	1	37	-1.0	-62.91	332.15	5.86	-57.05
O=C(NC1=NC2=CC=C(Br)C=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238949	0	37	-1.0	-51.22	333.72	5.91	-45.31
O=C(NC1=NC2=CC=C(Br)C=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238949	1	37	-1.0	-51.24	333.65	5.91	-45.33
CCS(=O)(=O)C1=CC=C2OC(NC(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020238950	0	43	-1.0	-61.55	374.64	0.49	-61.06
CCS(=O)(=O)C1=CC=C2OC(NC(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020238950	1	43	-1.0	-61.55	374.58	0.46	-61.09
CCS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020238950	1	42	-2.0	-122.30	373.18	-1.11	-123.41
CCS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020238950	1	42	-2.0	-122.30	373.24	-1.08	-123.38
CCS(=O)(=O)C1=CC=C2OC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020238951	0	43	-1.0	-51.38	376.13	0.56	-50.82
CCS(=O)(=O)C1=CC=C2OC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020238951	1	43	-1.0	-51.38	376.05	0.55	-50.83
CCS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020238951	1	42	-2.0	-100.59	374.00	-1.04	-101.63
CCS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020238951	1	42	-2.0	-100.57	373.93	-1.05	-101.62
NC(=O)C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020238952	0	34	-2.0	-87.73	323.73	-0.94	-88.67
NC(=O)C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020238952	1	34	-2.0	-87.74	323.67	-0.96	-88.70
NC(=O)C1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020238952	1	35	-1.0	-49.39	326.99	0.26	-49.13
NC(=O)C1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020238952	1	35	-1.0	-49.36	326.93	0.24	-49.12
NC(=O)C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020238953	0	35	-1.0	-50.73	307.79	-0.22	-50.95
NC(=O)C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020238953	1	35	-1.0	-50.72	307.73	-0.24	-50.96
NC(=O)C1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020238953	1	34	-2.0	-89.84	306.77	-1.06	-90.90
NC(=O)C1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020238953	1	34	-2.0	-89.83	306.72	-1.08	-90.91
NC(=O)C1=CN=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020238954	0	32	-1.0	-62.34	292.36	-1.14	-63.48
NC(=O)C1=CN=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020238954	1	32	-1.0	-62.33	292.30	-1.17	-63.50
NC(=O)C1=CN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020238954	1	31	-2.0	-112.09	290.89	-2.21	-114.30
NC(=O)C1=CN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020238954	1	31	-2.0	-112.12	290.95	-2.18	-114.30
CSCC[C@H](NC(=O)NC1=NC=C(C(N)=O)S1)C1=NN=N[N-]1	REAL300020238955	0	35	-1.0	-54.62	335.96	-1.17	-55.79
CSCC[C@H](NC(=O)NC1=NC=C(C(N)=O)S1)C1=N[N-]N=N1	REAL300020238955	1	35	-1.0	-54.60	335.91	-1.18	-55.78
CSCC[C@H](NC(=O)[N-]C1=NC=C(C(N)=O)S1)C1=N[N-]N=N1	REAL300020238955	1	34	-2.0	-102.05	332.66	-2.38	-104.43
CSCC[C@H](NC(=O)[N-]C1=NC=C(C(N)=O)S1)C1=NN=N[N-]1	REAL300020238955	1	34	-2.0	-102.02	332.72	-2.37	-104.39
NC(=O)C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020238956	0	32	-1.0	-52.12	293.84	-1.08	-53.20
NC(=O)C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020238956	1	32	-1.0	-52.07	293.76	-1.09	-53.16
NC(=O)C1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020238956	1	31	-2.0	-91.62	291.75	-2.12	-93.74
NC(=O)C1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020238956	1	31	-2.0	-91.60	291.67	-2.14	-93.74
NC(=O)C1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020238957	0	38	-1.0	-58.17	316.03	0.63	-57.54
NC(=O)C1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020238957	1	38	-1.0	-58.14	315.98	0.63	-57.51
NC(=O)C1=CN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020238957	1	37	-2.0	-108.98	315.26	-0.20	-109.18
NC(=O)C1=CN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020238957	1	37	-2.0	-108.94	315.21	-0.22	-109.16
NS(=O)(=O)C1=CC=C2OC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC2=C1	REAL300020238958	0	42	-1.0	-51.26	362.14	-2.09	-53.35
NS(=O)(=O)C1=CC=C2OC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC2=C1	REAL300020238958	1	42	-1.0	-51.30	362.08	-2.10	-53.40
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC2=C1	REAL300020238958	1	41	-2.0	-98.64	361.12	-3.38	-102.02
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC2=C1	REAL300020238958	1	41	-2.0	-98.61	361.07	-3.39	-102.00
NS(=O)(=O)C1=CC=C2OC(NC(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020238959	0	39	-1.0	-60.06	346.71	-3.00	-63.06
NS(=O)(=O)C1=CC=C2OC(NC(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020238959	1	39	-1.0	-60.04	346.65	-3.02	-63.06
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020238959	1	38	-2.0	-119.24	345.25	-4.59	-123.83
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020238959	1	38	-2.0	-119.24	345.31	-4.57	-123.81
NS(=O)(=O)C1=CC=C2OC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020238960	0	39	-1.0	-50.40	348.14	-2.92	-53.32
NS(=O)(=O)C1=CC=C2OC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020238960	1	39	-1.0	-50.36	348.07	-2.93	-53.29
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020238960	1	38	-2.0	-97.94	346.02	-4.51	-102.45
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020238960	1	38	-2.0	-97.96	345.94	-4.53	-102.49
N#CC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020238961	0	31	-2.0	-80.30	307.55	2.79	-77.51
N#CC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020238961	1	31	-2.0	-80.34	307.49	2.76	-77.58
N#CC1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020238961	1	32	-1.0	-44.63	310.83	3.98	-40.65
N#CC1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020238961	1	32	-1.0	-44.66	310.77	3.95	-40.71
N#CC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020238962	0	32	-1.0	-46.30	291.60	3.51	-42.79
N#CC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020238962	1	32	-1.0	-46.31	291.55	3.49	-42.82
N#CC1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020238962	1	31	-2.0	-82.35	290.57	2.66	-79.69
N#CC1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020238962	1	31	-2.0	-82.34	290.51	2.64	-79.70
CSCC[C@H](NC(=O)NC1=NC=C(C#N)S1)C1=NN=N[N-]1	REAL300020238963	0	32	-1.0	-48.41	319.79	2.55	-45.86
CSCC[C@H](NC(=O)NC1=NC=C(C#N)S1)C1=N[N-]N=N1	REAL300020238963	1	32	-1.0	-48.39	319.73	2.54	-45.85
CSCC[C@H](NC(=O)[N-]C1=NC=C(C#N)S1)C1=N[N-]N=N1	REAL300020238963	1	31	-2.0	-93.11	316.49	1.35	-91.76
CSCC[C@H](NC(=O)[N-]C1=NC=C(C#N)S1)C1=NN=N[N-]1	REAL300020238963	1	31	-2.0	-93.12	316.54	1.36	-91.76
N#CC1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020238964	0	35	-1.0	-50.23	299.86	4.36	-45.87
N#CC1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020238964	1	35	-1.0	-50.24	299.80	4.35	-45.89
N#CC1=CN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020238964	1	34	-2.0	-98.76	299.08	3.53	-95.23
N#CC1=CN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020238964	1	34	-2.0	-98.76	299.04	3.51	-95.25
NC(=O)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020238965	0	34	-2.0	-81.29	322.15	-1.41	-82.70
NC(=O)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020238965	1	34	-2.0	-81.29	322.09	-1.43	-82.72
NC(=O)C1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020238965	1	35	-1.0	-41.84	325.40	-0.22	-42.06
NC(=O)C1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020238965	1	35	-1.0	-41.81	325.34	-0.25	-42.06
NC(=O)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020238966	0	35	-1.0	-43.04	306.21	-0.68	-43.72
NC(=O)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020238966	1	35	-1.0	-42.99	306.15	-0.70	-43.69
NC(=O)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020238966	1	34	-2.0	-83.40	305.19	-1.52	-84.92
NC(=O)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020238966	1	34	-2.0	-83.45	305.13	-1.54	-84.99
NC(=O)C1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020238967	0	32	-1.0	-48.81	290.77	-1.60	-50.41
NC(=O)C1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020238967	1	32	-1.0	-48.78	290.71	-1.63	-50.41
NC(=O)C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020238967	1	31	-2.0	-102.05	289.31	-2.66	-104.71
NC(=O)C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020238967	1	31	-2.0	-102.09	289.36	-2.63	-104.72
CSCC[C@H](NC(=O)NC1=NC(C(N)=O)=CS1)C1=NN=N[N-]1	REAL300020238968	0	35	-1.0	-43.56	334.38	-1.64	-45.20
CSCC[C@H](NC(=O)NC1=NC(C(N)=O)=CS1)C1=N[N-]N=N1	REAL300020238968	1	35	-1.0	-43.55	334.32	-1.65	-45.20
CSCC[C@H](NC(=O)[N-]C1=NC(C(N)=O)=CS1)C1=N[N-]N=N1	REAL300020238968	1	34	-2.0	-93.34	331.08	-2.84	-96.18
CSCC[C@H](NC(=O)[N-]C1=NC(C(N)=O)=CS1)C1=NN=N[N-]1	REAL300020238968	1	34	-2.0	-93.36	331.13	-2.82	-96.18
NC(=O)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020238969	0	32	-1.0	-41.87	292.25	-1.56	-43.43
NC(=O)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020238969	1	32	-1.0	-41.93	292.18	-1.58	-43.51
NC(=O)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020238969	1	31	-2.0	-83.50	290.16	-2.58	-86.08
NC(=O)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020238969	1	31	-2.0	-83.51	290.09	-2.60	-86.11
NC(=O)C1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020238970	0	38	-1.0	-45.54	314.46	0.17	-45.37
NC(=O)C1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020238970	1	38	-1.0	-45.57	314.41	0.15	-45.42
NC(=O)C1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020238970	1	37	-2.0	-100.86	313.68	-0.67	-101.53
NC(=O)C1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020238970	1	37	-2.0	-100.88	313.63	-0.68	-101.56
CN1CCN2N=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C1=O	REAL300020238971	0	43	-1.0	-51.05	364.17	3.14	-47.91
CN1CCN2N=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C1=O	REAL300020238971	1	43	-1.0	-51.01	364.12	3.12	-47.89
CN1CCN2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C1=O	REAL300020238972	0	43	-1.0	-53.19	344.96	2.66	-50.53
CN1CCN2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C1=O	REAL300020238972	1	43	-1.0	-53.14	344.90	2.65	-50.49
CN1CCN2N=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C1=O	REAL300020238973	0	40	-1.0	-65.33	329.52	1.75	-63.58
CN1CCN2N=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C1=O	REAL300020238973	1	40	-1.0	-65.34	329.46	1.73	-63.61
CSCC[C@H](NC(=O)NC1=NN2CCN(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL300020238974	0	43	-1.0	-57.47	373.16	1.73	-55.74
CSCC[C@H](NC(=O)NC1=NN2CCN(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL300020238974	1	43	-1.0	-57.50	373.10	1.72	-55.78
CN1CCN2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020238975	0	40	-1.0	-53.07	331.01	1.83	-51.24
CN1CCN2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020238975	1	40	-1.0	-53.12	330.94	1.82	-51.30
CN1CCN2N=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1=O	REAL300020238976	0	46	-1.0	-61.59	352.95	3.56	-58.03
CN1CCN2N=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1=O	REAL300020238976	1	46	-1.0	-61.59	352.91	3.56	-58.03
O=C([N-]C1=NC2=C(F)C=CC=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238977	0	36	-2.0	-91.08	338.07	4.25	-86.83
O=C([N-]C1=NC2=C(F)C=CC=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238977	1	36	-2.0	-91.11	338.01	4.22	-86.89
O=C(NC1=NC2=C(F)C=CC=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238977	1	37	-1.0	-51.08	343.40	5.87	-45.21
O=C(NC1=NC2=C(F)C=CC=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238977	1	37	-1.0	-51.05	343.34	5.84	-45.21
O=C(NC1=NC2=C(F)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238978	0	37	-1.0	-53.41	324.23	5.40	-48.01
O=C(NC1=NC2=C(F)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238978	1	37	-1.0	-53.39	324.17	5.38	-48.01
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238978	1	36	-2.0	-99.63	323.19	4.56	-95.07
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238978	1	36	-2.0	-99.62	323.13	4.54	-95.08
O=C(NC1=NC2=C(F)C=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020238979	0	34	-1.0	-52.21	306.68	4.05	-48.16
O=C(NC1=NC2=C(F)C=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020238979	1	34	-1.0	-52.17	306.62	4.04	-48.13
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020238979	1	33	-2.0	-112.75	305.22	3.01	-109.74
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020238979	1	33	-2.0	-112.72	305.28	3.02	-109.70
CSCC[C@H](NC(=O)NC1=NC2=C(F)C=CC=C2S1)C1=NN=N[N-]1	REAL300020238980	0	37	-1.0	-46.61	350.30	4.02	-42.59
CSCC[C@H](NC(=O)NC1=NC2=C(F)C=CC=C2S1)C1=N[N-]N=N1	REAL300020238980	1	37	-1.0	-46.60	350.24	4.00	-42.60
O=C(NC1=NC2=C(F)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238981	0	34	-1.0	-54.57	310.23	4.54	-50.03
O=C(NC1=NC2=C(F)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238981	1	34	-1.0	-54.55	310.16	4.52	-50.03
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238981	1	33	-2.0	-101.90	308.11	3.49	-98.41
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238981	1	33	-2.0	-101.92	308.04	3.48	-98.44
O=C(NC1=NC2=C(F)C=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238982	0	40	-1.0	-48.35	330.45	5.83	-42.52
O=C(NC1=NC2=C(F)C=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238982	1	40	-1.0	-48.31	330.42	5.83	-42.48
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238982	1	39	-2.0	-96.83	334.11	4.68	-92.15
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238982	1	39	-2.0	-96.86	334.05	4.68	-92.18
O=C(NC1=CC=C(N2CCCS2(=O)=O)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238983	0	46	-1.0	-56.94	377.89	2.58	-54.36
O=C(NC1=CC=C(N2CCCS2(=O)=O)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238983	1	46	-1.0	-56.91	377.83	2.57	-54.34
O=C(NC1=CC=C(N2CCCS2(=O)=O)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020238984	0	43	-1.0	-67.44	361.74	1.60	-65.84
O=C(NC1=CC=C(N2CCCS2(=O)=O)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020238984	1	43	-1.0	-67.45	361.68	1.58	-65.87
O=C(NC1=CC=C(N2CCCS2(=O)=O)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238985	0	43	-1.0	-57.56	363.98	1.73	-55.83
O=C(NC1=CC=C(N2CCCS2(=O)=O)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238985	1	43	-1.0	-57.61	363.91	1.71	-55.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=CC(C(F)(F)F)=C1	REAL300020238986	0	37	-1.0	-49.01	336.95	3.99	-45.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=CC(C(F)(F)F)=C1	REAL300020238986	1	37	-1.0	-49.02	336.89	3.97	-45.05
O=C(NC1=CN=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238987	0	37	-1.0	-42.88	317.96	3.56	-39.32
O=C(NC1=CN=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238987	1	37	-1.0	-42.83	317.90	3.54	-39.29
O=C(NC1=CN=CC(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020238988	0	34	-1.0	-54.08	302.34	2.61	-51.47
O=C(NC1=CN=CC(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020238988	1	34	-1.0	-54.11	302.28	2.60	-51.51
CSCC[C@H](NC(=O)NC1=CN=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020238989	0	37	-1.0	-45.19	346.10	2.54	-42.65
CSCC[C@H](NC(=O)NC1=CN=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020238989	1	37	-1.0	-45.18	346.05	2.52	-42.66
O=C(NC1=CN=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238990	0	34	-1.0	-43.90	304.24	2.67	-41.23
O=C(NC1=CN=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238990	1	34	-1.0	-43.89	304.16	2.67	-41.22
O=C(NC1=CN=CC(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238991	0	40	-1.0	-37.45	332.77	3.64	-33.81
O=C(NC1=CN=CC(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238991	1	40	-1.0	-37.36	332.28	3.60	-33.76
COC(=O)C1=CN=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238992	0	40	-1.0	-46.83	353.16	3.64	-43.19
COC(=O)C1=CN=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238992	1	40	-1.0	-46.77	353.11	3.62	-43.15
COC(=O)C1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020238993	0	40	-1.0	-47.26	333.81	3.21	-44.05
COC(=O)C1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020238993	1	40	-1.0	-47.28	333.75	3.19	-44.09
COC(=O)C1=CN=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020238994	0	37	-1.0	-58.17	318.30	2.30	-55.87
COC(=O)C1=CN=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020238994	1	37	-1.0	-58.16	318.24	2.29	-55.87
COC(=O)C1=CN=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020238995	0	40	-1.0	-54.14	361.97	2.25	-51.89
COC(=O)C1=CN=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020238995	1	40	-1.0	-54.11	361.91	2.24	-51.87
COC(=O)C1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020238996	0	37	-1.0	-49.25	320.09	2.32	-46.93
COC(=O)C1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020238996	1	37	-1.0	-49.21	320.02	2.32	-46.89
COC(=O)C1=CN=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020238997	0	43	-1.0	-42.45	346.68	3.34	-39.11
COC(=O)C1=CN=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020238997	1	43	-1.0	-42.51	346.64	3.34	-39.17
CN1N=C(C2CC2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238998	0	42	-1.0	-43.87	355.13	5.56	-38.31
CN1N=C(C2CC2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238998	1	42	-1.0	-43.83	355.07	5.54	-38.29
CN1N=C(C2CC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238999	0	42	-1.0	-45.35	335.90	5.07	-40.28
CN1N=C(C2CC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238999	1	42	-1.0	-45.37	335.96	5.09	-40.28
CN1N=C(C2CC2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239000	0	39	-1.0	-55.40	320.45	4.16	-51.24
CN1N=C(C2CC2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239000	1	39	-1.0	-55.38	320.51	4.19	-51.19
CSCC[C@H](NC(=O)NC1=CC(C2CC2)=NN1C)C1=N[N-]N=N1	REAL300020239001	0	42	-1.0	-48.33	364.07	4.13	-44.20
CSCC[C@H](NC(=O)NC1=CC(C2CC2)=NN1C)C1=NN=N[N-]1	REAL300020239001	1	42	-1.0	-48.32	364.12	4.14	-44.18
CN1N=C(C2CC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239002	0	39	-1.0	-45.55	321.91	4.22	-41.33
CN1N=C(C2CC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239002	1	39	-1.0	-45.52	321.98	4.24	-41.28
CN1N=C(C2CC2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239003	0	45	-1.0	-52.25	343.92	5.94	-46.31
CN1N=C(C2CC2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239003	1	45	-1.0	-52.30	343.96	5.96	-46.34
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C1CCC1	REAL300020239004	0	45	-1.0	-44.14	365.44	7.61	-36.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C1CCC1	REAL300020239004	1	45	-1.0	-44.13	365.38	7.59	-36.54
O=C(NC1=CC=CC=C1C1CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239005	0	45	-1.0	-42.46	345.47	7.03	-35.43
O=C(NC1=CC=CC=C1C1CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239005	1	45	-1.0	-42.44	345.52	7.05	-35.39
O=C(NC1=CC=CC=C1C1CCC1)N1CCCC1C1=N[N-]N=N1	REAL300020239006	0	42	-1.0	-55.40	330.00	6.14	-49.26
O=C(NC1=CC=CC=C1C1CCC1)N1CCCC1C1=NN=N[N-]1	REAL300020239006	1	42	-1.0	-55.37	330.06	6.16	-49.21
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1CCC1)C1=N[N-]N=N1	REAL300020239007	0	45	-1.0	-46.31	373.68	6.08	-40.23
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1CCC1)C1=NN=N[N-]1	REAL300020239007	1	45	-1.0	-46.32	373.73	6.10	-40.22
O=C(NC1=CC=CC=C1C1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239008	0	42	-1.0	-43.54	331.48	6.18	-37.36
O=C(NC1=CC=CC=C1C1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239008	1	42	-1.0	-43.54	331.55	6.19	-37.35
O=C(NC1=CC=CC=C1C1CCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239009	0	48	-1.0	-49.81	351.90	7.87	-41.94
O=C(NC1=CC=CC=C1C1CCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239009	1	48	-1.0	-49.82	351.95	7.88	-41.94
CC1=CC(F)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020239010	0	41	-1.0	-46.93	347.05	6.15	-40.78
CC1=CC(F)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020239010	1	41	-1.0	-46.92	346.99	6.12	-40.80
CC1=CC(F)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020239011	0	41	-1.0	-42.95	326.92	5.64	-37.31
CC1=CC(F)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020239011	1	41	-1.0	-42.95	326.98	5.66	-37.29
CC1=CC(F)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020239012	0	38	-1.0	-51.97	312.66	4.72	-47.25
CC1=CC(F)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020239012	1	38	-1.0	-52.01	312.72	4.73	-47.28
CSCC[C@H](NC(=O)NC1=CC(C)=C(C)C=C1F)C1=N[N-]N=N1	REAL300020239013	0	41	-1.0	-45.84	356.18	4.67	-41.17
CSCC[C@H](NC(=O)NC1=CC(C)=C(C)C=C1F)C1=NN=N[N-]1	REAL300020239013	1	41	-1.0	-45.82	356.24	4.68	-41.14
CC1=CC(F)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020239014	0	38	-1.0	-42.15	314.03	4.78	-37.37
CC1=CC(F)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020239014	1	38	-1.0	-42.14	314.10	4.78	-37.36
CC1=CC(F)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020239015	0	44	-1.0	-44.88	342.81	5.80	-39.08
CC1=CC(F)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020239015	1	44	-1.0	-44.86	342.86	5.81	-39.05
CC(C)OC1=CC(C#N)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239016	0	46	-1.0	-43.24	392.21	6.20	-37.04
CC(C)OC1=CC(C#N)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239016	1	46	-1.0	-43.23	392.16	6.18	-37.05
CC(C)OC1=CC(C#N)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239017	0	46	-1.0	-42.75	375.01	5.74	-37.01
CC(C)OC1=CC(C#N)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239017	1	46	-1.0	-42.74	375.06	5.76	-36.98
CC(C)OC1=CC(C#N)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239018	0	43	-1.0	-50.86	358.94	4.84	-46.02
CC(C)OC1=CC(C#N)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239018	1	43	-1.0	-50.90	359.00	4.86	-46.04
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C=C1OC(C)C)C1=N[N-]N=N1	REAL300020239019	0	46	-1.0	-44.86	401.58	4.76	-40.10
CSCC[C@H](NC(=O)NC1=CC=C(C#N)C=C1OC(C)C)C1=NN=N[N-]1	REAL300020239019	1	46	-1.0	-44.85	401.64	4.78	-40.07
CC(C)OC1=CC(C#N)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239020	0	43	-1.0	-42.45	360.03	4.83	-37.62
CC(C)OC1=CC(C#N)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239020	1	43	-1.0	-42.48	360.10	4.84	-37.64
CC(C)OC1=CC(C#N)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239021	0	49	-1.0	-41.22	387.37	5.88	-35.34
CC(C)OC1=CC(C#N)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239021	1	49	-1.0	-41.25	387.42	5.90	-35.35
CCCN1N=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239022	0	41	-1.0	-42.36	346.75	5.10	-37.26
CCCN1N=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239022	1	41	-1.0	-42.38	346.69	5.07	-37.31
CCCN1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239023	0	41	-1.0	-43.87	327.53	4.62	-39.25
CCCN1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239023	1	41	-1.0	-43.90	327.47	4.61	-39.29
CCCN1N=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020239024	0	41	-1.0	-46.41	355.72	3.67	-42.74
CCCN1N=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020239024	1	41	-1.0	-46.43	355.66	3.66	-42.77
CCCN1N=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239025	0	44	-1.0	-50.29	335.56	5.50	-44.79
CCCN1N=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239025	1	44	-1.0	-50.32	335.52	5.50	-44.82
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=NC=C(OC2=CC=CC=C2)C=N1	REAL300020239026	0	44	-1.0	-55.43	382.14	7.66	-47.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=NC=C(OC2=CC=CC=C2)C=N1	REAL300020239026	1	44	-1.0	-55.46	382.08	7.63	-47.83
O=C(NC1=NC=C(OC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239027	0	44	-1.0	-45.87	363.84	7.18	-38.69
O=C(NC1=NC=C(OC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239027	1	44	-1.0	-45.84	363.78	7.17	-38.67
O=C(NC1=NC=C(OC2=CC=CC=C2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020239028	0	41	-1.0	-56.28	348.44	6.27	-50.01
O=C(NC1=NC=C(OC2=CC=CC=C2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020239028	1	41	-1.0	-56.30	348.38	6.25	-50.05
CSCC[C@H](NC(=O)NC1=NC=C(OC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020239029	0	44	-1.0	-49.56	392.07	6.24	-43.32
CSCC[C@H](NC(=O)NC1=NC=C(OC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020239029	1	44	-1.0	-49.54	392.01	6.22	-43.32
O=C(NC1=NC=C(OC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239030	0	41	-1.0	-46.30	349.91	6.33	-39.97
O=C(NC1=NC=C(OC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239030	1	41	-1.0	-46.27	349.84	6.32	-39.95
O=C(NC1=NC=C(OC2=CC=CC=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239031	0	47	-1.0	-52.81	372.27	8.19	-44.62
O=C(NC1=NC=C(OC2=CC=CC=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239031	1	47	-1.0	-52.78	372.23	8.17	-44.61
CC1(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)CC1(F)F	REAL300020239032	0	45	-1.0	-57.86	381.11	7.34	-50.52
CC1(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)CC1(F)F	REAL300020239032	1	45	-1.0	-57.88	381.17	7.37	-50.51
CC1(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC1(F)F	REAL300020239033	0	45	-1.0	-46.00	362.13	6.89	-39.11
CC1(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1(F)F	REAL300020239033	1	45	-1.0	-46.05	362.18	6.91	-39.14
CC1(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1(F)F	REAL300020239034	0	42	-1.0	-56.57	346.62	5.98	-50.59
CC1(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1(F)F	REAL300020239034	1	42	-1.0	-56.57	346.68	5.99	-50.58
CSCC[C@H](NC(=O)NC1=CC=C(C2(C)CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300020239035	0	45	-1.0	-50.95	390.14	5.94	-45.01
CSCC[C@H](NC(=O)NC1=CC=C(C2(C)CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300020239035	1	45	-1.0	-50.97	390.19	5.95	-45.02
CC1(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1(F)F	REAL300020239036	0	42	-1.0	-45.63	347.75	6.05	-39.58
CC1(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1(F)F	REAL300020239036	1	42	-1.0	-45.61	347.82	6.07	-39.54
CC1(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1(F)F	REAL300020239037	0	48	-1.0	-48.75	369.91	7.81	-40.94
CC1(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1(F)F	REAL300020239037	1	48	-1.0	-48.72	369.96	7.82	-40.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C(=O)C(F)F)=C1	REAL300020239038	0	40	-1.0	-67.15	354.81	5.39	-61.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C(=O)C(F)F)=C1	REAL300020239038	1	40	-1.0	-67.15	354.75	5.37	-61.78
O=C(NC1=CC(C(=O)C(F)F)=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239039	0	40	-1.0	-53.98	335.66	4.92	-49.06
O=C(NC1=CC(C(=O)C(F)F)=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239039	1	40	-1.0	-53.94	335.72	4.94	-49.00
O=C(NC1=CC(C(=O)C(F)F)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239040	0	37	-1.0	-68.59	320.00	4.03	-64.56
O=C(NC1=CC(C(=O)C(F)F)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239040	1	37	-1.0	-68.62	320.05	4.05	-64.57
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)C(F)F)=C1)C1=N[N-]N=N1	REAL300020239041	0	40	-1.0	-48.12	365.04	3.99	-44.13
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)C(F)F)=C1)C1=NN=N[N-]1	REAL300020239041	1	40	-1.0	-48.15	365.10	4.00	-44.15
O=C(NC1=CC(C(=O)C(F)F)=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239042	0	37	-1.0	-54.31	322.65	4.13	-50.18
O=C(NC1=CC(C(=O)C(F)F)=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239042	1	37	-1.0	-54.33	322.73	4.13	-50.20
O=C(NC1=CC(C(=O)C(F)F)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239043	0	43	-1.0	-49.56	344.97	5.82	-43.74
O=C(NC1=CC(C(=O)C(F)F)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239043	1	43	-1.0	-49.57	345.02	5.84	-43.73
CC1=NC2=C(S1)C1=C(C=C2)N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020239044	0	39	-1.0	-59.64	355.43	4.47	-55.17
CC1=NC2=C(S1)C1=C(C=C2)N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020239044	1	39	-1.0	-59.71	355.49	4.48	-55.23
CC1=NC2=C(S1)C1=C(C=C2)N=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020239044	1	38	-2.0	-116.99	354.03	3.44	-113.55
CC1=NC2=C(S1)C1=C(C=C2)N=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020239044	1	38	-2.0	-117.04	354.08	3.45	-113.59
CC1=NC2=C(S1)C1=C(C=C2)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020239045	0	39	-1.0	-49.07	356.90	4.53	-44.54
CC1=NC2=C(S1)C1=C(C=C2)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020239045	1	39	-1.0	-49.08	356.97	4.55	-44.53
CC1=NC2=C(S1)C1=C(C=C2)N=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020239045	1	38	-2.0	-95.52	354.78	3.48	-92.04
CC1=NC2=C(S1)C1=C(C=C2)N=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020239045	1	38	-2.0	-95.53	354.86	3.49	-92.04
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C([N+](=O)[O-])C2=CC=CC=C12	REAL300020239046	0	43	-1.0	-43.79	370.46	7.73	-36.06
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C([N+](=O)[O-])C2=CC=CC=C12	REAL300020239046	1	43	-1.0	-43.81	370.40	7.71	-36.10
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239047	0	43	-1.0	-45.34	350.85	7.25	-38.09
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239047	1	43	-1.0	-45.35	350.91	7.27	-38.08
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300020239048	0	40	-1.0	-53.08	336.81	6.36	-46.72
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300020239048	1	40	-1.0	-53.11	336.87	6.38	-46.73
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020239049	0	43	-1.0	-47.99	380.45	6.33	-41.66
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020239049	1	43	-1.0	-48.00	380.51	6.35	-41.65
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020239050	0	40	-1.0	-45.26	338.30	6.41	-38.85
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020239050	1	40	-1.0	-45.27	338.38	6.42	-38.85
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020239051	0	46	-1.0	-50.09	360.55	8.15	-41.94
O=C(NC1=CC=C([N+](=O)[O-])C2=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020239051	1	46	-1.0	-50.04	360.60	8.15	-41.89
COC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239052	0	39	-1.0	-42.26	330.72	4.21	-38.05
COC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239052	1	39	-1.0	-42.28	330.67	4.18	-38.10
COC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239053	0	39	-1.0	-43.57	311.18	3.72	-39.85
COC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239053	1	39	-1.0	-43.60	311.24	3.74	-39.86
COC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020239054	0	39	-1.0	-48.19	340.02	2.76	-45.43
COC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020239054	1	39	-1.0	-48.19	340.07	2.78	-45.41
COC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239055	0	42	-1.0	-43.46	324.12	3.96	-39.50
COC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239055	1	42	-1.0	-43.46	324.16	3.95	-39.51
O=C(NC1=CC=C(OC2=CC=CN=N2)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239056	0	41	-1.0	-58.92	366.49	2.93	-55.99
O=C(NC1=CC=C(OC2=CC=CN=N2)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239056	1	41	-1.0	-58.90	366.43	2.91	-55.99
O=C(NC1=CC=C(OC2=CC=CN=N2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239057	0	41	-1.0	-49.34	367.88	2.97	-46.37
O=C(NC1=CC=C(OC2=CC=CN=N2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239057	1	41	-1.0	-49.31	367.81	2.96	-46.35
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C2COCCN21	REAL300020239058	0	46	-1.0	-48.59	389.16	4.54	-44.05
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C2COCCN21	REAL300020239058	1	46	-1.0	-48.59	389.22	4.56	-44.03
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C2COCCN21	REAL300020239059	0	46	-1.0	-50.05	369.91	4.06	-45.99
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C2COCCN21	REAL300020239059	1	46	-1.0	-50.03	369.97	4.07	-45.96
COC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C2COCCN21	REAL300020239060	0	43	-1.0	-61.20	354.53	3.15	-58.05
COC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C2COCCN21	REAL300020239060	1	43	-1.0	-61.21	354.59	3.18	-58.03
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C2COCCN21	REAL300020239061	0	46	-1.0	-54.40	398.12	3.12	-51.28
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C2COCCN21	REAL300020239061	1	46	-1.0	-54.41	398.18	3.13	-51.28
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C2COCCN21	REAL300020239062	0	43	-1.0	-49.78	355.97	3.21	-46.57
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C2COCCN21	REAL300020239062	1	43	-1.0	-49.81	356.05	3.22	-46.59
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C2COCCN21	REAL300020239063	0	49	-1.0	-57.44	378.50	5.06	-52.38
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C2COCCN21	REAL300020239063	1	49	-1.0	-57.41	378.55	5.07	-52.34
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(F)(F)F	REAL300020239064	0	48	-1.0	-43.42	391.15	6.24	-37.18
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(F)(F)F	REAL300020239064	1	48	-1.0	-43.44	391.21	6.25	-37.19
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020239065	0	45	-1.0	-50.86	375.32	5.31	-45.55
CC(C)OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020239065	1	45	-1.0	-50.85	375.38	5.31	-45.54
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020239066	0	45	-1.0	-42.60	377.47	5.42	-37.18
CC(C)OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020239066	1	45	-1.0	-42.61	377.54	5.43	-37.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=CC(F)=CC=C21	REAL300020239067	0	41	-1.0	-41.69	352.81	7.32	-34.37
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=CC(F)=CC=C21	REAL300020239067	1	41	-1.0	-41.72	352.76	7.29	-34.43
O=C(NC1=CC=CC2=CC(F)=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239068	0	41	-1.0	-43.04	332.17	6.76	-36.28
O=C(NC1=CC=CC2=CC(F)=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239068	1	41	-1.0	-43.05	332.23	6.78	-36.27
O=C(NC1=CC=CC2=CC(F)=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300020239069	0	38	-1.0	-52.05	317.47	5.84	-46.21
O=C(NC1=CC=CC2=CC(F)=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300020239069	1	38	-1.0	-52.03	317.53	5.86	-46.17
CSCC[C@H](NC(=O)NC1=CC=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300020239070	0	41	-1.0	-46.52	361.99	5.85	-40.67
CSCC[C@H](NC(=O)NC1=CC=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300020239070	1	41	-1.0	-46.58	362.05	5.86	-40.72
O=C(NC1=CC=CC2=CC(F)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020239071	0	38	-1.0	-43.44	319.79	5.92	-37.52
O=C(NC1=CC=CC2=CC(F)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020239071	1	38	-1.0	-43.43	319.86	5.94	-37.49
O=C(NC1=CC=CC2=CC(F)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020239072	0	44	-1.0	-48.23	341.82	7.66	-40.57
O=C(NC1=CC=CC2=CC(F)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020239072	1	44	-1.0	-48.23	341.88	7.66	-40.57
O=C(NC1=CC=CC=C1C1=NOC(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239073	0	47	-1.0	-45.33	383.02	5.80	-39.53
O=C(NC1=CC=CC=C1C1=NOC(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239073	1	47	-1.0	-45.31	382.96	5.78	-39.53
O=C(NC1=CC=CC=C1C1=NOC(C2CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020239074	0	44	-1.0	-56.65	366.72	4.86	-51.79
O=C(NC1=CC=CC=C1C1=NOC(C2CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020239074	1	44	-1.0	-56.59	366.66	4.85	-51.74
O=C(NC1=CC=CC=C1C1=NOC(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239075	0	44	-1.0	-45.52	369.08	4.94	-40.58
O=C(NC1=CC=CC=C1C1=NOC(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239075	1	44	-1.0	-45.55	369.00	4.92	-40.63
O=C(NC1=CC=CC=C1C1=NOC(C2CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239076	0	50	-1.0	-51.81	389.69	6.74	-45.07
O=C(NC1=CC=CC=C1C1=NOC(C2CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239076	1	50	-1.0	-51.80	389.65	6.73	-45.07
CCOC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=CN1C	REAL300020239077	0	44	-1.0	-49.31	377.05	6.97	-42.34
CCOC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=CN1C	REAL300020239077	1	44	-1.0	-49.32	376.99	6.94	-42.38
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=CN1C	REAL300020239078	0	44	-1.0	-51.14	357.86	6.50	-44.64
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=CN1C	REAL300020239078	1	44	-1.0	-51.16	357.80	6.48	-44.68
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=CN1C	REAL300020239079	0	41	-1.0	-61.15	342.40	5.57	-55.58
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=CN1C	REAL300020239079	1	41	-1.0	-61.16	342.34	5.57	-55.59
CCOC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=CN1C	REAL300020239080	0	44	-1.0	-54.61	386.03	5.54	-49.07
CCOC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=CN1C	REAL300020239080	1	44	-1.0	-54.62	385.97	5.53	-49.09
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=CN1C	REAL300020239081	0	41	-1.0	-50.48	343.86	5.65	-44.83
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=CN1C	REAL300020239081	1	41	-1.0	-50.45	343.79	5.63	-44.82
CCOC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=CN1C	REAL300020239082	0	47	-1.0	-56.35	366.10	7.36	-48.99
CCOC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=CN1C	REAL300020239082	1	47	-1.0	-56.34	366.05	7.35	-48.99
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(N2CCCCC2)=C1	REAL300020239083	0	53	-1.0	-44.33	417.15	6.79	-37.54
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(N2CCCCC2)=C1	REAL300020239083	1	53	-1.0	-44.32	417.10	6.77	-37.55
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(N2CCCCC2)=C1	REAL300020239084	0	53	-1.0	-43.29	398.24	6.26	-37.03
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(N2CCCCC2)=C1	REAL300020239084	1	53	-1.0	-43.28	398.30	6.27	-37.01
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(N2CCCCC2)=C1	REAL300020239085	0	50	-1.0	-55.47	382.94	5.32	-50.15
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(N2CCCCC2)=C1	REAL300020239085	1	50	-1.0	-55.45	382.99	5.35	-50.10
CSCC[C@H](NC(=O)NC1=CC(C)=CC(N2CCCCC2)=C1)C1=N[N-]N=N1	REAL300020239086	0	53	-1.0	-46.91	426.62	5.27	-41.64
CSCC[C@H](NC(=O)NC1=CC(C)=CC(N2CCCCC2)=C1)C1=NN=N[N-]1	REAL300020239086	1	53	-1.0	-46.88	426.67	5.29	-41.59
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(N2CCCCC2)=C1	REAL300020239087	0	50	-1.0	-43.71	384.18	5.40	-38.31
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(N2CCCCC2)=C1	REAL300020239087	1	50	-1.0	-43.75	384.25	5.40	-38.35
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(N2CCCCC2)=C1	REAL300020239088	0	56	-1.0	-43.42	412.86	6.41	-37.01
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(N2CCCCC2)=C1	REAL300020239088	1	56	-1.0	-43.42	412.91	6.44	-36.98
CN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(N)=O	REAL300020239089	0	39	-1.0	-46.46	342.77	-0.80	-47.26
CN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(N)=O	REAL300020239089	1	39	-1.0	-46.45	342.72	-0.82	-47.27
CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(N)=O	REAL300020239090	0	39	-1.0	-49.10	323.60	-1.28	-50.38
CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(N)=O	REAL300020239090	1	39	-1.0	-49.13	323.54	-1.30	-50.43
CN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(N)=O	REAL300020239091	0	36	-1.0	-58.86	308.17	-2.17	-61.03
CN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(N)=O	REAL300020239091	1	36	-1.0	-58.87	308.12	-2.19	-61.06
CSCC[C@H](NC(=O)NC1=C(C(N)=O)N(C)N=C1)C1=NN=N[N-]1	REAL300020239092	0	39	-1.0	-52.31	351.78	-2.21	-54.52
CSCC[C@H](NC(=O)NC1=C(C(N)=O)N(C)N=C1)C1=N[N-]N=N1	REAL300020239092	1	39	-1.0	-52.37	351.72	-2.23	-54.60
CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(N)=O	REAL300020239093	0	36	-1.0	-47.84	309.67	-2.14	-49.98
CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(N)=O	REAL300020239093	1	36	-1.0	-47.86	309.59	-2.15	-50.01
CN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(N)=O	REAL300020239094	0	42	-1.0	-56.33	332.17	-0.28	-56.61
CN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(N)=O	REAL300020239094	1	42	-1.0	-56.33	332.11	-0.28	-56.61
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=C1CNC2=O	REAL300020239095	0	46	-1.0	-44.78	377.69	2.40	-42.38
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=C1CNC2=O	REAL300020239095	1	46	-1.0	-44.80	377.75	2.42	-42.38
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=C1CNC2=O	REAL300020239096	0	43	-1.0	-53.28	360.83	1.53	-51.75
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=C1CNC2=O	REAL300020239096	1	43	-1.0	-53.28	360.89	1.55	-51.73
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=C1CNC2=O	REAL300020239097	0	43	-1.0	-44.62	363.34	1.59	-43.03
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=C1CNC2=O	REAL300020239097	1	43	-1.0	-44.58	363.42	1.61	-42.97
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=C1CNC2=O	REAL300020239098	0	49	-1.0	-50.57	385.47	3.33	-47.24
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=C1CNC2=O	REAL300020239098	1	49	-1.0	-50.64	385.53	3.34	-47.30
CC(C)C1=CC=C(C(C)C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020239099	0	53	-1.0	-54.76	419.12	8.80	-45.96
CC(C)C1=CC=C(C(C)C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020239099	1	53	-1.0	-54.77	419.06	8.77	-46.00
CC(C)C1=CC=C(C(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020239100	0	53	-1.0	-43.80	399.81	8.35	-35.45
CC(C)C1=CC=C(C(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020239100	1	53	-1.0	-43.84	399.87	8.37	-35.47
CC(C)C1=CC=C(C(C)C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020239101	0	50	-1.0	-55.04	385.96	7.40	-47.64
CC(C)C1=CC=C(C(C)C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020239101	1	50	-1.0	-55.05	386.02	7.42	-47.63
CSCC[C@H](NC(=O)NC1=CC(C(C)C)=CC=C1C(C)C)C1=N[N-]N=N1	REAL300020239102	0	53	-1.0	-49.91	429.48	7.39	-42.52
CSCC[C@H](NC(=O)NC1=CC(C(C)C)=CC=C1C(C)C)C1=NN=N[N-]1	REAL300020239102	1	53	-1.0	-49.90	429.54	7.40	-42.50
CC(C)C1=CC=C(C(C)C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020239103	0	50	-1.0	-44.27	386.01	7.44	-36.83
CC(C)C1=CC=C(C(C)C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020239103	1	50	-1.0	-44.27	386.09	7.45	-36.82
CC(C)C1=CC=C(C(C)C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020239104	0	56	-1.0	-50.87	409.14	9.24	-41.63
CC(C)C1=CC=C(C(C)C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020239104	1	56	-1.0	-50.85	409.19	9.24	-41.61
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=N1	REAL300020239105	0	37	-1.0	-45.55	333.61	4.21	-41.34
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=N1	REAL300020239105	1	37	-1.0	-45.52	333.56	4.18	-41.34
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=N1	REAL300020239106	0	37	-1.0	-41.23	313.53	3.67	-37.56
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=N1	REAL300020239106	1	37	-1.0	-41.27	313.59	3.69	-37.58
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=N1	REAL300020239107	0	34	-1.0	-49.81	299.26	2.77	-47.04
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=N1	REAL300020239107	1	34	-1.0	-49.80	299.31	2.78	-47.02
CSCC[C@H](NC(=O)NC1=CC=C(C)N=C1Cl)C1=N[N-]N=N1	REAL300020239108	0	37	-1.0	-43.31	342.78	2.73	-40.58
CSCC[C@H](NC(=O)NC1=CC=C(C)N=C1Cl)C1=NN=N[N-]1	REAL300020239108	1	37	-1.0	-43.28	342.84	2.74	-40.54
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=N1	REAL300020239109	0	34	-1.0	-41.09	300.62	2.82	-38.27
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=N1	REAL300020239109	1	34	-1.0	-41.10	300.69	2.83	-38.27
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=N1	REAL300020239110	0	40	-1.0	-42.74	325.89	3.86	-38.88
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=N1	REAL300020239110	1	40	-1.0	-42.75	325.93	3.86	-38.89
O=C(NC1=CC=C2CCOC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239111	0	40	-1.0	-44.73	338.71	4.69	-40.04
O=C(NC1=CC=C2CCOC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239111	1	40	-1.0	-44.73	338.65	4.67	-40.06
O=C(NC1=CC=C2CCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239112	0	40	-1.0	-44.23	320.04	4.11	-40.12
O=C(NC1=CC=C2CCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239112	1	40	-1.0	-44.23	320.09	4.12	-40.11
O=C(NC1=CC=C2CCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239113	0	37	-1.0	-53.24	304.63	3.20	-50.04
O=C(NC1=CC=C2CCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239113	1	37	-1.0	-53.27	304.68	3.22	-50.05
CSCC[C@H](NC(=O)NC1=CC=C2CCOC2=C1)C1=N[N-]N=N1	REAL300020239114	0	40	-1.0	-47.36	348.17	3.17	-44.19
CSCC[C@H](NC(=O)NC1=CC=C2CCOC2=C1)C1=NN=N[N-]1	REAL300020239114	1	40	-1.0	-47.33	348.22	3.18	-44.15
O=C(NC1=CC=C2CCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239115	0	37	-1.0	-44.12	305.99	3.26	-40.86
O=C(NC1=CC=C2CCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239115	1	37	-1.0	-44.18	306.07	3.27	-40.91
O=C(NC1=CC=C2CCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239116	0	43	-1.0	-44.02	332.26	4.28	-39.74
O=C(NC1=CC=C2CCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239116	1	43	-1.0	-43.97	332.31	4.29	-39.68
CC1=CN=CC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239117	0	40	-1.0	-44.06	335.34	4.44	-39.62
CC1=CN=CC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239117	1	40	-1.0	-44.03	335.39	4.46	-39.57
CC1=CN=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239118	0	40	-1.0	-43.94	319.21	4.06	-39.88
CC1=CN=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239118	1	40	-1.0	-43.96	319.27	4.08	-39.88
CSCC[C@H](NC(=O)NC1=C(C)C=NC=C1C)C1=N[N-]N=N1	REAL300020239119	0	40	-1.0	-45.69	343.63	2.82	-42.87
CSCC[C@H](NC(=O)NC1=C(C)C=NC=C1C)C1=NN=N[N-]1	REAL300020239119	1	40	-1.0	-45.72	343.68	2.84	-42.88
CC1=CN=CC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239120	0	43	-1.0	-41.07	320.89	3.49	-37.58
CC1=CN=CC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239120	1	43	-1.0	-41.10	320.92	3.50	-37.60
CC1=CC=C(N2CCCCC2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239121	0	53	-1.0	-57.78	414.55	6.97	-50.81
CC1=CC=C(N2CCCCC2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239121	1	53	-1.0	-57.81	414.49	6.95	-50.86
CC1=CC=C(N2CCCCC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239122	0	53	-1.0	-44.39	393.34	6.40	-37.99
CC1=CC=C(N2CCCCC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239122	1	53	-1.0	-44.44	393.40	6.41	-38.03
CC1=CC=C(N2CCCCC2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239123	0	50	-1.0	-59.88	380.16	5.57	-54.31
CC1=CC=C(N2CCCCC2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239123	1	50	-1.0	-59.88	380.22	5.59	-54.29
CSCC[C@H](NC(=O)NC1=CC(N2CCCCC2)=CC=C1C)C1=N[N-]N=N1	REAL300020239124	0	53	-1.0	-49.37	423.71	5.53	-43.84
CSCC[C@H](NC(=O)NC1=CC(N2CCCCC2)=CC=C1C)C1=NN=N[N-]1	REAL300020239124	1	53	-1.0	-49.36	423.77	5.55	-43.81
CC1=CC=C(N2CCCCC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239125	0	50	-1.0	-46.36	380.52	5.58	-40.78
CC1=CC=C(N2CCCCC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239125	1	50	-1.0	-46.29	380.59	5.60	-40.69
CC1=CC=C(N2CCCCC2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239126	0	56	-1.0	-51.34	402.85	7.30	-44.04
CC1=CC=C(N2CCCCC2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239126	1	56	-1.0	-51.39	402.91	7.30	-44.09
CN1C=C(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)C=N1	REAL300020239127	0	45	-1.0	-57.16	383.28	6.09	-51.07
CN1C=C(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)C=N1	REAL300020239127	1	45	-1.0	-57.17	383.22	6.06	-51.11
CN1C=C(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C=N1	REAL300020239128	0	45	-1.0	-48.65	364.33	5.59	-43.06
CN1C=C(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C=N1	REAL300020239128	1	45	-1.0	-48.66	364.28	5.58	-43.08
CN1C=C(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=N1	REAL300020239129	0	42	-1.0	-57.81	348.97	4.67	-53.14
CN1C=C(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=N1	REAL300020239129	1	42	-1.0	-57.83	348.91	4.65	-53.18
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL300020239130	0	45	-1.0	-51.35	392.47	4.64	-46.71
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL300020239130	1	45	-1.0	-51.32	392.41	4.62	-46.70
CN1C=C(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020239131	0	42	-1.0	-48.31	350.33	4.72	-43.59
CN1C=C(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020239131	1	42	-1.0	-48.29	350.25	4.71	-43.58
CN1C=C(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=N1	REAL300020239132	0	48	-1.0	-48.37	378.66	5.79	-42.58
CN1C=C(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=N1	REAL300020239132	1	48	-1.0	-48.32	378.61	5.77	-42.55
CC(C)(C)C(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020239133	0	49	-1.0	-51.85	395.15	6.85	-45.00
CC(C)(C)C(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020239133	1	49	-1.0	-51.77	395.09	6.83	-44.94
CC(C)(C)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020239134	0	49	-1.0	-45.17	376.90	6.32	-38.85
CC(C)(C)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020239134	1	49	-1.0	-45.22	376.96	6.33	-38.89
CC(C)(C)C(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020239135	0	46	-1.0	-72.14	361.25	5.45	-66.69
CC(C)(C)C(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020239135	1	46	-1.0	-72.16	361.31	5.46	-66.70
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020239136	0	49	-1.0	-48.67	404.69	5.42	-43.25
CSCC[C@H](NC(=O)NC1=CC=CC(C(=O)C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020239136	1	49	-1.0	-48.66	404.74	5.43	-43.23
CC(C)(C)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020239137	0	46	-1.0	-43.46	360.86	5.47	-37.99
CC(C)(C)C(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020239137	1	46	-1.0	-43.53	360.93	5.48	-38.05
CC(C)(C)C(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020239138	0	52	-1.0	-50.75	385.09	7.21	-43.54
CC(C)(C)C(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020239138	1	52	-1.0	-50.80	385.14	7.21	-43.59
CC1(C)CC1C(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020239139	0	44	-1.0	-44.57	371.92	5.47	-39.10
CC1(C)CC1C(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020239139	1	44	-1.0	-44.59	371.98	5.49	-39.10
CC1(C)CC1C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020239140	0	44	-1.0	-43.18	355.22	5.64	-37.54
CC1(C)CC1C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020239140	1	44	-1.0	-43.19	355.28	5.66	-37.53
CC1(C)CC1C(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020239141	0	41	-1.0	-54.43	341.23	4.27	-50.16
CC1(C)CC1C(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020239141	1	41	-1.0	-54.40	341.29	4.30	-50.10
CSCC[C@H](NC(=O)NC(C1CC1(C)C)C(F)(F)F)C1=N[N-]N=N1	REAL300020239142	0	44	-1.0	-44.93	381.25	4.01	-40.92
CSCC[C@H](NC(=O)NC(C1CC1(C)C)C(F)(F)F)C1=NN=N[N-]1	REAL300020239142	1	44	-1.0	-44.91	381.31	4.02	-40.89
CC1(C)CC1C(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020239143	0	41	-1.0	-43.26	339.11	4.11	-39.15
CC1(C)CC1C(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020239143	1	41	-1.0	-43.27	339.19	4.13	-39.14
CC1(C)CC1C(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020239144	0	47	-1.0	-50.56	359.06	6.16	-44.40
CC1(C)CC1C(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020239144	1	47	-1.0	-50.64	359.09	6.17	-44.47
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C1=NC=CS1	REAL300020239145	0	41	-1.0	-43.25	362.01	6.49	-36.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C1=NC=CS1	REAL300020239145	1	41	-1.0	-43.24	361.95	6.47	-36.77
O=C(NC1=CC=CC=C1C1=NC=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239146	0	41	-1.0	-44.50	342.56	6.05	-38.45
O=C(NC1=CC=CC=C1C1=NC=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239146	1	41	-1.0	-44.50	342.51	6.03	-38.47
O=C(NC1=CC=CC=C1C1=NC=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020239147	0	38	-1.0	-55.59	327.34	5.12	-50.47
O=C(NC1=CC=CC=C1C1=NC=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020239147	1	38	-1.0	-55.57	327.28	5.10	-50.47
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=NC=CS1)C1=NN=N[N-]1	REAL300020239148	0	41	-1.0	-48.59	371.81	5.10	-43.49
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1=NC=CS1)C1=N[N-]N=N1	REAL300020239148	1	41	-1.0	-48.61	371.76	5.09	-43.52
O=C(NC1=CC=CC=C1C1=NC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239149	0	38	-1.0	-44.62	328.70	5.16	-39.46
O=C(NC1=CC=CC=C1C1=NC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239149	1	38	-1.0	-44.61	328.63	5.14	-39.47
O=C(NC1=CC=CC=C1C1=NC=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239150	0	44	-1.0	-52.02	351.20	7.01	-45.01
O=C(NC1=CC=CC=C1C1=NC=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239150	1	44	-1.0	-52.04	351.15	7.00	-45.04
CC1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1F	REAL300020239151	0	38	-1.0	-54.64	332.47	5.55	-49.09
CC1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1F	REAL300020239151	1	38	-1.0	-54.66	332.41	5.53	-49.13
CC1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1F	REAL300020239152	0	38	-1.0	-45.85	315.68	5.07	-40.78
CC1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1F	REAL300020239152	1	38	-1.0	-45.86	315.74	5.09	-40.77
CC1=CC=C(F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1F	REAL300020239153	0	35	-1.0	-58.26	305.68	4.30	-53.96
CC1=CC=C(F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1F	REAL300020239153	1	35	-1.0	-58.29	305.74	4.32	-53.97
CSCC[C@H](NC(=O)NC1=C(F)C=CC(C)=C1F)C1=N[N-]N=N1	REAL300020239154	0	38	-1.0	-51.35	349.36	4.25	-47.10
CSCC[C@H](NC(=O)NC1=C(F)C=CC(C)=C1F)C1=NN=N[N-]1	REAL300020239154	1	38	-1.0	-51.36	349.41	4.27	-47.09
CC1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020239155	0	35	-1.0	-47.12	307.20	4.34	-42.78
CC1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020239155	1	35	-1.0	-47.12	307.28	4.35	-42.77
CC1=CC=C(F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020239156	0	41	-1.0	-51.40	325.18	5.58	-45.82
CC1=CC=C(F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020239156	1	41	-1.0	-51.25	325.28	5.60	-45.65
CC1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Br	REAL300020239157	0	37	-1.0	-53.21	337.65	4.13	-49.08
CC1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Br	REAL300020239157	1	37	-1.0	-53.19	337.71	4.15	-49.04
CC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020239158	0	37	-1.0	-43.30	318.90	3.65	-39.65
CC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020239158	1	37	-1.0	-43.32	318.96	3.66	-39.66
CC1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020239159	0	34	-1.0	-51.43	303.39	2.74	-48.69
CC1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020239159	1	34	-1.0	-51.46	303.45	2.75	-48.71
CSCC[C@H](NC(=O)NC1=CN=C(C)C(Br)=C1)C1=N[N-]N=N1	REAL300020239160	0	37	-1.0	-45.22	346.68	2.72	-42.50
CSCC[C@H](NC(=O)NC1=CN=C(C)C(Br)=C1)C1=NN=N[N-]1	REAL300020239160	1	37	-1.0	-45.25	346.74	2.74	-42.51
CC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020239161	0	34	-1.0	-43.33	304.49	2.81	-40.52
CC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020239161	1	34	-1.0	-43.30	304.56	2.82	-40.48
CC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020239162	0	40	-1.0	-47.60	326.66	4.54	-43.06
CC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020239162	1	40	-1.0	-47.62	326.71	4.54	-43.08
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2OC=CC(=O)C2=C1	REAL300020239163	0	40	-1.0	-56.25	350.41	4.92	-51.33
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2OC=CC(=O)C2=C1	REAL300020239163	1	40	-1.0	-56.21	350.35	4.90	-51.31
O=C(NC1=CC=C2OC=CC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239164	0	40	-1.0	-47.77	331.26	4.41	-43.36
O=C(NC1=CC=C2OC=CC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239164	1	40	-1.0	-47.78	331.32	4.42	-43.36
O=C(NC1=CC=C2OC=CC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239165	0	37	-1.0	-77.50	315.70	3.52	-73.98
O=C(NC1=CC=C2OC=CC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239165	1	37	-1.0	-77.48	315.76	3.52	-73.96
CSCC[C@H](NC(=O)NC1=CC=C2OC=CC(=O)C2=C1)C1=N[N-]N=N1	REAL300020239166	0	40	-1.0	-61.17	359.26	3.48	-57.69
CSCC[C@H](NC(=O)NC1=CC=C2OC=CC(=O)C2=C1)C1=NN=N[N-]1	REAL300020239166	1	40	-1.0	-61.18	359.32	3.49	-57.69
O=C(NC1=CC=C2OC=CC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239167	0	37	-1.0	-60.80	317.35	3.55	-57.25
O=C(NC1=CC=C2OC=CC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239167	1	37	-1.0	-60.81	317.43	3.56	-57.25
O=C(NC1=CC=C2OC=CC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239168	0	43	-1.0	-49.91	343.75	4.59	-45.32
O=C(NC1=CC=C2OC=CC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239168	1	43	-1.0	-49.92	343.79	4.60	-45.32
CC1=NN2C=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=NC2=C1	REAL300020239169	0	40	-1.0	-47.53	350.15	4.31	-43.22
CC1=NN2C=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=NC2=C1	REAL300020239169	1	40	-1.0	-47.46	350.10	4.28	-43.18
CC1=NN2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=NC2=C1	REAL300020239170	0	40	-1.0	-45.81	326.09	3.65	-42.16
CC1=NN2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=NC2=C1	REAL300020239170	1	40	-1.0	-45.85	326.14	3.66	-42.19
CC1=NN2C=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=NC2=C1	REAL300020239171	0	37	-1.0	-54.64	315.41	2.87	-51.77
CC1=NN2C=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=NC2=C1	REAL300020239171	1	37	-1.0	-54.67	315.47	2.90	-51.77
CSCC[C@H](NC(=O)NC1=CN2N=C(C)C=C2N=C1)C1=N[N-]N=N1	REAL300020239172	0	40	-1.0	-48.74	359.57	2.81	-45.93
CSCC[C@H](NC(=O)NC1=CN2N=C(C)C=C2N=C1)C1=NN=N[N-]1	REAL300020239172	1	40	-1.0	-48.74	359.62	2.82	-45.92
CC1=NN2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=NC2=C1	REAL300020239173	0	37	-1.0	-46.62	317.39	2.93	-43.69
CC1=NN2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=NC2=C1	REAL300020239173	1	37	-1.0	-46.64	317.46	2.93	-43.71
CC1=NN2C=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=NC2=C1	REAL300020239174	0	43	-1.0	-41.44	341.15	4.20	-37.24
CC1=NN2C=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=NC2=C1	REAL300020239174	1	43	-1.0	-41.48	341.19	4.20	-37.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC(Br)=C1	REAL300020239175	0	35	-1.0	-40.31	330.96	5.42	-34.89
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC(Br)=C1	REAL300020239175	1	35	-1.0	-40.31	331.02	5.45	-34.86
O=C(NC1=CC(F)=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239176	0	35	-1.0	-41.76	311.76	4.97	-36.79
O=C(NC1=CC(F)=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239176	1	35	-1.0	-41.76	311.82	4.99	-36.77
O=C(NC1=CC(F)=CC(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239177	0	32	-1.0	-49.62	296.47	4.06	-45.56
O=C(NC1=CC(F)=CC(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239177	1	32	-1.0	-49.61	296.53	4.08	-45.53
CSCC[C@H](NC(=O)NC1=CC(F)=CC(Br)=C1)C1=N[N-]N=N1	REAL300020239178	0	35	-1.0	-44.68	339.72	4.05	-40.63
CSCC[C@H](NC(=O)NC1=CC(F)=CC(Br)=C1)C1=NN=N[N-]1	REAL300020239178	1	35	-1.0	-44.70	339.78	4.07	-40.63
O=C(NC1=CC(F)=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239179	0	32	-1.0	-41.77	297.60	4.14	-37.63
O=C(NC1=CC(F)=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239179	1	32	-1.0	-41.75	297.67	4.15	-37.60
O=C(NC1=CC(F)=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239180	0	38	-1.0	-37.18	324.22	5.12	-32.06
O=C(NC1=CC(F)=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239180	1	38	-1.0	-37.23	324.26	5.13	-32.10
CC1(C)OC(=O)C2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020239181	0	45	-1.0	-45.81	383.13	6.54	-39.27
CC1(C)OC(=O)C2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020239181	1	45	-1.0	-45.80	383.07	6.51	-39.29
CC1(C)OC(=O)C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020239182	0	45	-1.0	-54.58	364.18	6.02	-48.56
CC1(C)OC(=O)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020239182	1	45	-1.0	-54.59	364.23	6.03	-48.56
CC1(C)OC(=O)C2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020239183	0	42	-1.0	-66.13	349.05	5.05	-61.08
CC1(C)OC(=O)C2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020239183	1	42	-1.0	-66.10	349.11	5.07	-61.03
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C(=O)OC2(C)C)C1=N[N-]N=N1	REAL300020239184	0	45	-1.0	-48.50	392.30	5.07	-43.43
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C(=O)OC2(C)C)C1=NN=N[N-]1	REAL300020239184	1	45	-1.0	-48.52	392.36	5.09	-43.43
CC1(C)OC(=O)C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020239185	0	42	-1.0	-58.03	350.42	5.12	-52.91
CC1(C)OC(=O)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020239185	1	42	-1.0	-58.00	350.49	5.12	-52.88
CC1(C)OC(=O)C2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020239186	0	48	-1.0	-46.46	378.76	6.17	-40.29
CC1(C)OC(=O)C2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020239186	1	48	-1.0	-46.51	378.82	6.20	-40.31
O=C(NC1=CC=C(OC2=CC=NC=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239187	0	44	-1.0	-52.90	384.72	4.95	-47.95
O=C(NC1=CC=C(OC2=CC=NC=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239187	1	44	-1.0	-52.90	384.66	4.93	-47.97
O=C(NC1=CC=C(OC2=CC=NC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239188	0	44	-1.0	-46.93	364.80	4.47	-42.46
O=C(NC1=CC=C(OC2=CC=NC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239188	1	44	-1.0	-46.90	364.74	4.46	-42.44
O=C(NC1=CC=C(OC2=CC=NC=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239189	0	41	-1.0	-56.35	349.80	3.58	-52.77
O=C(NC1=CC=C(OC2=CC=NC=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239189	1	41	-1.0	-56.31	349.74	3.56	-52.75
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=NC=N2)C=C1)C1=NN=N[N-]1	REAL300020239190	0	44	-1.0	-51.45	393.47	3.54	-47.91
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=NC=N2)C=C1)C1=N[N-]N=N1	REAL300020239190	1	44	-1.0	-51.48	393.41	3.52	-47.96
O=C(NC1=CC=C(OC2=CC=NC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239191	0	41	-1.0	-47.42	351.35	3.62	-43.80
O=C(NC1=CC=C(OC2=CC=NC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239191	1	41	-1.0	-47.36	351.28	3.62	-43.74
O=C(NC1=CC=C(OC2=CC=NC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239192	0	47	-1.0	-44.23	380.76	4.63	-39.60
O=C(NC1=CC=C(OC2=CC=NC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239192	1	47	-1.0	-44.23	380.70	4.62	-39.61
O=C([N-]C1=NC=C(CC2CCCO2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239193	0	44	-2.0	-95.34	386.50	4.09	-91.25
O=C([N-]C1=NC=C(CC2CCCO2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239193	1	44	-2.0	-95.30	386.44	4.06	-91.24
O=C(NC1=NC=C(CC2CCCO2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239193	1	45	-1.0	-47.57	389.77	5.29	-42.28
O=C(NC1=NC=C(CC2CCCO2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239193	1	45	-1.0	-47.54	389.71	5.26	-42.28
O=C(NC1=NC=C(CC2CCCO2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239194	0	45	-1.0	-49.46	370.59	4.80	-44.66
O=C(NC1=NC=C(CC2CCCO2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239194	1	45	-1.0	-49.50	370.53	4.78	-44.72
O=C(NC1=NC=C(CC2CCCO2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020239195	0	42	-1.0	-62.57	355.13	3.90	-58.67
O=C(NC1=NC=C(CC2CCCO2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020239195	1	42	-1.0	-62.58	355.07	3.87	-58.71
CSCC[C@H](NC(=O)NC1=NC=C(CC2CCCO2)S1)C1=NN=N[N-]1	REAL300020239196	0	45	-1.0	-54.47	398.74	3.86	-50.61
CSCC[C@H](NC(=O)NC1=NC=C(CC2CCCO2)S1)C1=N[N-]N=N1	REAL300020239196	1	45	-1.0	-54.50	398.68	3.85	-50.65
O=C(NC1=NC=C(CC2CCCO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239197	0	42	-1.0	-50.43	356.61	3.95	-46.48
O=C(NC1=NC=C(CC2CCCO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239197	1	42	-1.0	-50.43	356.53	3.93	-46.50
O=C(NC1=NC=C(CC2CCCO2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239198	0	48	-1.0	-58.75	378.80	5.66	-53.09
O=C(NC1=NC=C(CC2CCCO2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239198	1	48	-1.0	-58.76	378.75	5.65	-53.11
C[C@@H]1CC2=C(SC([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)[C@H](C)O1	REAL300020239199	0	44	-2.0	-92.34	382.40	3.86	-88.48
C[C@@H]1CC2=C(SC([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)[C@H](C)O1	REAL300020239199	1	44	-2.0	-92.36	382.45	3.88	-88.48
C[C@@H]1CC2=C(SC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)[C@H](C)O1	REAL300020239199	1	45	-1.0	-60.25	385.66	5.06	-55.19
C[C@@H]1CC2=C(SC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)[C@H](C)O1	REAL300020239199	1	45	-1.0	-60.28	385.72	5.08	-55.20
C[C@@H]1CC2=C(SC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)[C@H](C)O1	REAL300020239200	0	45	-1.0	-48.38	366.50	4.60	-43.78
C[C@@H]1CC2=C(SC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)[C@H](C)O1	REAL300020239200	1	45	-1.0	-48.38	366.56	4.61	-43.77
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)[C@H](C)O1	REAL300020239200	1	44	-2.0	-94.69	365.46	3.75	-90.94
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)[C@H](C)O1	REAL300020239200	1	44	-2.0	-94.68	365.51	3.77	-90.91
C[C@@H]1CC2=C(SC(NC(=O)N3CCCC3C3=N[N-]N=N3)=N2)[C@H](C)O1	REAL300020239201	0	42	-1.0	-60.27	351.09	3.67	-56.60
C[C@@H]1CC2=C(SC(NC(=O)N3CCCC3C3=NN=N[N-]3)=N2)[C@H](C)O1	REAL300020239201	1	42	-1.0	-60.27	351.15	3.70	-56.57
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)[C@H](C)O1	REAL300020239201	1	41	-2.0	-117.70	349.63	2.63	-115.07
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)[C@H](C)O1	REAL300020239201	1	41	-2.0	-117.72	349.69	2.66	-115.06
CSCC[C@H](NC(=O)NC1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C1=N[N-]N=N1	REAL300020239202	0	45	-1.0	-52.48	394.65	3.64	-48.84
CSCC[C@H](NC(=O)NC1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C1=NN=N[N-]1	REAL300020239202	1	45	-1.0	-52.50	394.70	3.66	-48.84
CSCC[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C1=N[N-]N=N1	REAL300020239202	1	44	-2.0	-108.00	391.40	2.44	-105.56
C[C@@H]1CC2=C(SC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)[C@H](C)O1	REAL300020239203	0	42	-1.0	-48.76	352.46	3.74	-45.02
C[C@@H]1CC2=C(SC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)[C@H](C)O1	REAL300020239203	1	42	-1.0	-48.79	352.53	3.75	-45.04
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)[C@H](C)O1	REAL300020239203	1	41	-2.0	-96.28	350.40	2.70	-93.58
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)[C@H](C)O1	REAL300020239203	1	41	-2.0	-96.28	350.47	2.70	-93.58
C[C@@H]1CC2=C(SC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)[C@H](C)O1	REAL300020239204	0	48	-1.0	-56.60	375.00	5.62	-50.98
C[C@@H]1CC2=C(SC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)[C@H](C)O1	REAL300020239204	1	48	-1.0	-56.67	375.06	5.63	-51.04
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)[C@H](C)O1	REAL300020239204	1	47	-2.0	-114.61	373.96	4.61	-110.00
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)[C@H](C)O1	REAL300020239204	1	47	-2.0	-114.57	374.01	4.62	-109.95
CC(CC1=CC=CC=C1)(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020239205	0	47	-1.0	-42.99	365.62	6.15	-36.84
CC(CC1=CC=CC=C1)(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020239205	1	47	-1.0	-43.03	365.67	6.16	-36.87
CC(CC1=CC=CC=C1)(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020239206	0	44	-1.0	-47.93	352.73	5.33	-42.60
CC(CC1=CC=CC=C1)(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020239206	1	44	-1.0	-47.90	352.79	5.36	-42.54
CC(CC1=CC=CC=C1)(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020239207	0	44	-1.0	-39.46	354.18	5.39	-34.07
CC(CC1=CC=CC=C1)(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020239207	1	44	-1.0	-39.50	354.25	5.39	-34.11
CC(CC1=CC=CC=C1)(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020239208	0	50	-1.0	-52.72	369.47	7.22	-45.50
CC(CC1=CC=CC=C1)(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020239208	1	50	-1.0	-52.76	369.52	7.24	-45.52
CCOC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020239209	0	48	-1.0	-44.36	396.28	7.02	-37.34
CCOC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020239209	1	48	-1.0	-44.40	396.33	7.04	-37.36
CCOC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020239210	0	45	-1.0	-52.74	380.86	6.14	-46.60
CCOC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020239210	1	45	-1.0	-52.75	380.92	6.14	-46.61
CCOC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020239211	0	45	-1.0	-44.33	382.35	6.17	-38.16
CCOC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020239211	1	45	-1.0	-44.30	382.42	6.18	-38.12
CCC1=C(C(=O)OC)SC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020239212	0	44	-1.0	-49.40	385.25	5.84	-43.56
CCC1=C(C(=O)OC)SC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020239212	1	44	-1.0	-49.42	385.31	5.86	-43.56
CCC1=C(C(=O)OC)SC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020239213	0	44	-1.0	-44.39	366.03	5.38	-39.01
CCC1=C(C(=O)OC)SC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020239213	1	44	-1.0	-44.38	366.09	5.39	-38.99
CCC1=C(C(=O)OC)SC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020239214	0	41	-1.0	-52.24	350.65	4.48	-47.76
CCC1=C(C(=O)OC)SC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020239214	1	41	-1.0	-52.25	350.70	4.50	-47.75
CCC1=C(C(=O)OC)SC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020239215	0	44	-1.0	-46.01	394.22	4.43	-41.58
CCC1=C(C(=O)OC)SC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020239215	1	44	-1.0	-46.04	394.27	4.45	-41.59
CCC1=C(C(=O)OC)SC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020239216	0	41	-1.0	-43.90	352.12	4.52	-39.38
CCC1=C(C(=O)OC)SC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020239216	1	41	-1.0	-43.96	352.19	4.53	-39.43
CCC1=C(C(=O)OC)SC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020239217	0	47	-1.0	-49.14	374.65	6.38	-42.76
CCC1=C(C(=O)OC)SC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020239217	1	47	-1.0	-49.17	374.70	6.38	-42.79
COC1=CN=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020239218	0	38	-1.0	-42.84	325.92	2.44	-40.40
COC1=CN=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020239218	1	38	-1.0	-42.82	325.86	2.42	-40.40
COC1=CN=C(Br)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020239219	0	35	-1.0	-51.97	311.41	1.54	-50.43
COC1=CN=C(Br)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020239219	1	35	-1.0	-51.98	311.35	1.53	-50.45
COC1=CN=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020239220	0	35	-1.0	-43.12	313.66	1.61	-41.51
COC1=CN=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020239220	1	35	-1.0	-43.10	313.59	1.59	-41.51
COC1=CN=C(Br)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020239221	0	41	-1.0	-48.63	334.97	3.33	-45.30
COC1=CN=C(Br)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020239221	1	41	-1.0	-48.63	334.91	3.31	-45.32
O=C(NC1=C(Cl)C=CC(Br)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020239222	0	32	-1.0	-52.55	315.87	4.82	-47.73
O=C(NC1=C(Cl)C=CC(Br)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020239222	1	32	-1.0	-52.56	315.93	4.85	-47.71
O=C(NC1=C(Cl)C=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020239223	0	32	-1.0	-44.89	317.22	4.87	-40.02
O=C(NC1=C(Cl)C=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020239223	1	32	-1.0	-44.92	317.30	4.88	-40.04
CN1C=C(C2=CC=NC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)C=N1	REAL300020239224	0	44	-1.0	-50.30	379.93	5.79	-44.51
CN1C=C(C2=CC=NC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)C=N1	REAL300020239224	1	44	-1.0	-50.28	379.87	5.77	-44.51
CN1C=C(C2=CC=NC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C=N1	REAL300020239225	0	44	-1.0	-49.74	357.86	4.69	-45.05
CN1C=C(C2=CC=NC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C=N1	REAL300020239225	1	44	-1.0	-49.75	357.80	4.67	-45.08
CN1C=C(C2=CC=NC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=N1	REAL300020239226	0	41	-1.0	-63.34	345.40	4.42	-58.92
CN1C=C(C2=CC=NC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=N1	REAL300020239226	1	41	-1.0	-63.29	345.34	4.40	-58.89
CSCC[C@H](NC(=O)NC1=CC(C2=CN(C)N=C2)=CC=N1)C1=NN=N[N-]1	REAL300020239227	0	44	-1.0	-56.18	388.93	4.37	-51.81
CSCC[C@H](NC(=O)NC1=CC(C2=CN(C)N=C2)=CC=N1)C1=N[N-]N=N1	REAL300020239227	1	44	-1.0	-56.19	388.87	4.35	-51.84
CN1C=C(C2=CC=NC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020239228	0	41	-1.0	-52.89	346.78	4.46	-48.43
CN1C=C(C2=CC=NC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020239228	1	41	-1.0	-52.84	346.71	4.45	-48.39
CN1C=C(C2=CC=NC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=N1	REAL300020239229	0	47	-1.0	-51.48	373.73	4.90	-46.58
CN1C=C(C2=CC=NC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=N1	REAL300020239229	1	47	-1.0	-51.46	373.68	4.88	-46.58
O=C(NC1=CC=C(N2C=C(Cl)C=N2)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239230	0	39	-1.0	-55.61	361.42	5.84	-49.77
O=C(NC1=CC=C(N2C=C(Cl)C=N2)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239230	1	39	-1.0	-55.64	361.37	5.82	-49.82
O=C(NC1=CC=C(N2C=C(Cl)C=N2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239231	0	39	-1.0	-42.70	362.50	5.91	-36.79
O=C(NC1=CC=C(N2C=C(Cl)C=N2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239231	1	39	-1.0	-42.71	362.43	5.91	-36.80
O=C(NC1=CC2=CSN=C2C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239232	0	37	-1.0	-52.42	334.64	4.69	-47.73
O=C(NC1=CC2=CSN=C2C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239232	1	37	-1.0	-52.41	334.58	4.66	-47.75
O=C(NC1=CC2=CSN=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239233	0	37	-1.0	-45.90	315.75	4.19	-41.71
O=C(NC1=CC2=CSN=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239233	1	37	-1.0	-45.88	315.69	4.18	-41.70
O=C(NC1=CC2=CSN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239234	0	34	-1.0	-54.44	300.33	3.27	-51.17
O=C(NC1=CC2=CSN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239234	1	34	-1.0	-54.42	300.27	3.26	-51.16
CSCC[C@H](NC(=O)NC1=CC2=CSN=C2C=C1)C1=NN=N[N-]1	REAL300020239235	0	37	-1.0	-47.67	343.87	3.24	-44.43
CSCC[C@H](NC(=O)NC1=CC2=CSN=C2C=C1)C1=N[N-]N=N1	REAL300020239235	1	37	-1.0	-47.67	343.81	3.22	-44.45
O=C(NC1=CC2=CSN=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239236	0	34	-1.0	-46.05	301.45	3.36	-42.69
O=C(NC1=CC2=CSN=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239236	1	34	-1.0	-46.03	301.38	3.36	-42.67
O=C(NC1=CC2=CSN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239237	0	40	-1.0	-40.49	327.89	4.35	-36.14
O=C(NC1=CC2=CSN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239237	1	40	-1.0	-40.44	327.81	4.34	-36.10
CN=S(=O)(C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)N(C)C	REAL300020239238	0	50	-1.0	-48.82	395.35	1.72	-47.10
CN=S(=O)(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)N(C)C	REAL300020239238	1	50	-1.0	-48.83	395.41	1.74	-47.09
CN=S(=O)(C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)N(C)C	REAL300020239239	0	47	-1.0	-59.41	383.73	0.88	-58.53
CN=S(=O)(C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)N(C)C	REAL300020239239	1	47	-1.0	-59.41	383.79	0.90	-58.51
CN=S(=O)(C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)N(C)C	REAL300020239240	0	47	-1.0	-52.98	384.25	0.60	-52.38
CN=S(=O)(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)N(C)C	REAL300020239240	1	47	-1.0	-53.06	384.33	0.61	-52.45
CC1=NC=CN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239241	0	36	-1.0	-57.81	312.16	3.39	-54.42
CC1=NC=CN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239241	1	36	-1.0	-57.78	312.11	3.36	-54.42
CSCC[C@H](NC(=O)NC1=NC=CN=C1C)C1=N[N-]N=N1	REAL300020239242	0	36	-1.0	-50.69	321.08	1.95	-48.74
CSCC[C@H](NC(=O)NC1=NC=CN=C1C)C1=NN=N[N-]1	REAL300020239242	1	36	-1.0	-50.70	321.14	1.96	-48.74
CC1=NC=CN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239243	0	39	-1.0	-53.13	301.17	3.75	-49.38
CC1=NC=CN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239243	1	39	-1.0	-53.07	301.22	3.76	-49.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCCC(=O)NC2=C1	REAL300020239244	0	46	-1.0	-46.75	378.32	4.95	-41.80
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCCC(=O)NC2=C1	REAL300020239244	1	46	-1.0	-46.75	378.27	4.93	-41.82
O=C(NC1=CC=C2CCCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239245	0	46	-1.0	-46.20	359.60	4.40	-41.80
O=C(NC1=CC=C2CCCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239245	1	46	-1.0	-46.15	359.66	4.41	-41.74
O=C(NC1=CC=C2CCCC(=O)NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239246	0	43	-1.0	-55.10	344.25	3.50	-51.60
O=C(NC1=CC=C2CCCC(=O)NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239246	1	43	-1.0	-55.10	344.31	3.51	-51.59
CSCC[C@H](NC(=O)NC1=CC=C2CCCC(=O)NC2=C1)C1=N[N-]N=N1	REAL300020239247	0	46	-1.0	-48.78	387.43	3.48	-45.30
CSCC[C@H](NC(=O)NC1=CC=C2CCCC(=O)NC2=C1)C1=NN=N[N-]1	REAL300020239247	1	46	-1.0	-48.78	387.49	3.50	-45.28
O=C(NC1=CC=C2CCCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239248	0	43	-1.0	-46.07	345.33	3.57	-42.50
O=C(NC1=CC=C2CCCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239248	1	43	-1.0	-46.08	345.40	3.58	-42.50
O=C(NC1=CC=C2CCCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239249	0	49	-1.0	-45.70	374.43	4.58	-41.12
O=C(NC1=CC=C2CCCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239249	1	49	-1.0	-45.69	374.49	4.60	-41.09
O=C(NC1=CC=CC(CF)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239250	0	38	-1.0	-53.42	331.15	5.61	-47.81
O=C(NC1=CC=CC(CF)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239250	1	38	-1.0	-53.43	331.09	5.59	-47.84
O=C(NC1=CC=CC(CF)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239251	0	38	-1.0	-46.14	312.18	5.11	-41.03
O=C(NC1=CC=CC(CF)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239251	1	38	-1.0	-46.14	312.23	5.13	-41.01
CSCC[C@H](NC(=O)NC1=CC=CC(CF)=C1)C1=N[N-]N=N1	REAL300020239252	0	38	-1.0	-46.27	340.02	4.18	-42.09
CSCC[C@H](NC(=O)NC1=CC=CC(CF)=C1)C1=NN=N[N-]1	REAL300020239252	1	38	-1.0	-46.30	340.07	4.20	-42.10
O=C(NC1=CC=CC(CF)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239253	0	41	-1.0	-48.26	320.14	5.99	-42.27
O=C(NC1=CC=CC(CF)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239253	1	41	-1.0	-48.27	320.20	6.01	-42.26
CC(=O)NCCC1=CNC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C12	REAL300020239254	0	52	-1.0	-57.31	419.59	4.13	-53.18
CC(=O)NCCC1=CNC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C12	REAL300020239254	1	52	-1.0	-57.30	419.64	4.15	-53.15
CC(=O)NCCC1=CNC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL300020239255	0	49	-1.0	-64.79	404.17	3.20	-61.59
CC(=O)NCCC1=CNC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL300020239255	1	49	-1.0	-64.75	404.23	3.22	-61.53
CC(=O)NCCC1=CNC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020239256	0	49	-1.0	-55.42	405.57	3.27	-52.15
CC(=O)NCCC1=CNC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020239256	1	49	-1.0	-55.42	405.64	3.29	-52.13
N#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC(F)(F)F	REAL300020239257	0	40	-1.0	-42.10	350.22	4.52	-37.58
N#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC(F)(F)F	REAL300020239257	1	40	-1.0	-42.11	350.28	4.53	-37.58
N#CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC(F)(F)F	REAL300020239258	0	37	-1.0	-48.75	334.96	3.58	-45.17
N#CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC(F)(F)F	REAL300020239258	1	37	-1.0	-48.76	335.02	3.60	-45.16
N#CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC(F)(F)F	REAL300020239259	0	37	-1.0	-42.05	335.99	3.68	-38.37
N#CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC(F)(F)F	REAL300020239259	1	37	-1.0	-42.08	336.07	3.68	-38.40
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC(F)(F)F	REAL300020239260	0	43	-1.0	-37.47	362.62	4.67	-32.80
N#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC(F)(F)F	REAL300020239260	1	43	-1.0	-37.46	362.65	4.69	-32.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(Br)C=N1	REAL300020239261	0	33	-1.0	-46.63	315.37	3.17	-43.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(Br)C=N1	REAL300020239261	1	33	-1.0	-46.60	315.31	3.15	-43.45
O=C(NC1=CN=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239262	0	33	-1.0	-41.90	293.64	2.01	-39.89
O=C(NC1=CN=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239262	1	33	-1.0	-41.83	293.58	1.99	-39.84
O=C(NC1=CN=C(Br)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020239263	0	30	-1.0	-55.33	280.94	1.75	-53.58
O=C(NC1=CN=C(Br)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020239263	1	30	-1.0	-55.30	280.88	1.74	-53.56
CSCC[C@H](NC(=O)NC1=CN=C(Br)C=N1)C1=NN=N[N-]1	REAL300020239264	0	33	-1.0	-48.34	324.62	1.71	-46.63
CSCC[C@H](NC(=O)NC1=CN=C(Br)C=N1)C1=N[N-]N=N1	REAL300020239264	1	33	-1.0	-48.37	324.56	1.70	-46.67
O=C(NC1=CN=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239265	0	30	-1.0	-46.33	282.44	1.82	-44.51
O=C(NC1=CN=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239265	1	30	-1.0	-46.34	282.37	1.80	-44.54
O=C(NC1=CN=C(Br)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239266	0	36	-1.0	-50.52	305.02	3.49	-47.03
O=C(NC1=CN=C(Br)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239266	1	36	-1.0	-50.52	304.97	3.48	-47.04
O=C(NC1=C(C(=O)NC2CC2)C=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239267	0	43	-1.0	-43.92	378.07	4.11	-39.81
O=C(NC1=C(C(=O)NC2CC2)C=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239267	1	43	-1.0	-43.91	378.01	4.09	-39.82
O=C(NC1CC1)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=C1	REAL300020239268	0	43	-1.0	-45.26	358.81	3.63	-41.63
O=C(NC1CC1)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=C1	REAL300020239268	1	43	-1.0	-45.28	358.87	3.64	-41.64
O=C(NC1CC1)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)SC=C1	REAL300020239269	0	40	-1.0	-52.74	343.37	2.71	-50.03
O=C(NC1CC1)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)SC=C1	REAL300020239269	1	40	-1.0	-52.80	343.43	2.73	-50.07
CSCC[C@H](NC(=O)NC1=C(C(=O)NC2CC2)C=CS1)C1=N[N-]N=N1	REAL300020239270	0	43	-1.0	-47.28	386.99	2.68	-44.60
CSCC[C@H](NC(=O)NC1=C(C(=O)NC2CC2)C=CS1)C1=NN=N[N-]1	REAL300020239270	1	43	-1.0	-47.25	387.05	2.70	-44.55
O=C(NC1CC1)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020239271	0	40	-1.0	-43.51	344.85	2.75	-40.76
O=C(NC1CC1)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020239271	1	40	-1.0	-43.49	344.92	2.76	-40.73
O=C(NC1CC1)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)SC=C1	REAL300020239272	0	46	-1.0	-48.79	367.38	4.62	-44.17
O=C(NC1CC1)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)SC=C1	REAL300020239272	1	46	-1.0	-48.77	367.43	4.62	-44.15
CC1=CC=CC(C(F)(F)F)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239273	0	41	-1.0	-41.82	355.81	6.48	-35.34
CC1=CC=CC(C(F)(F)F)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239273	1	41	-1.0	-41.84	355.75	6.46	-35.38
CC1=CC=CC(C(F)(F)F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239274	0	41	-1.0	-43.91	336.09	5.93	-37.98
CC1=CC=CC(C(F)(F)F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239274	1	41	-1.0	-44.00	336.15	5.95	-38.05
CC1=CC=CC(C(F)(F)F)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239275	0	38	-1.0	-53.03	321.33	5.11	-47.92
CC1=CC=CC(C(F)(F)F)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239275	1	38	-1.0	-53.01	321.39	5.13	-47.88
CSCC[C@H](NC(=O)NC1=C(C)C=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020239276	0	41	-1.0	-47.18	364.36	5.01	-42.17
CSCC[C@H](NC(=O)NC1=C(C)C=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020239276	1	41	-1.0	-47.22	364.42	5.02	-42.20
CC1=CC=CC(C(F)(F)F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239277	0	38	-1.0	-42.31	322.40	5.14	-37.17
CC1=CC=CC(C(F)(F)F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239277	1	38	-1.0	-42.31	322.47	5.16	-37.15
CC1=CC=CC(C(F)(F)F)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239278	0	44	-1.0	-47.27	342.74	6.55	-40.72
CC1=CC=CC(C(F)(F)F)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239278	1	44	-1.0	-47.29	342.78	6.56	-40.73
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C(C(F)(F)F)=N1	REAL300020239279	0	37	-1.0	-49.07	351.26	5.92	-43.15
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C(C(F)(F)F)=N1	REAL300020239279	1	37	-1.0	-49.02	351.21	5.89	-43.13
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239280	0	37	-1.0	-51.30	332.37	5.41	-45.89
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239280	1	37	-1.0	-51.29	332.31	5.40	-45.89
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020239281	0	34	-1.0	-63.23	316.95	4.51	-58.72
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020239281	1	34	-1.0	-63.25	316.89	4.50	-58.75
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020239282	0	37	-1.0	-55.32	360.48	4.46	-50.86
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020239282	1	37	-1.0	-55.28	360.42	4.45	-50.83
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239283	0	34	-1.0	-52.56	318.34	4.56	-48.00
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239283	1	34	-1.0	-52.52	318.26	4.55	-47.97
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239284	0	40	-1.0	-40.31	345.27	5.01	-35.30
O=C(NC1=CC=C(Cl)C(C(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239284	1	40	-1.0	-40.29	345.23	4.98	-35.31
O=C(NC1=CC=CC=C1S(=O)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239285	0	40	-1.0	-52.20	347.04	4.31	-47.89
O=C(NC1=CC=CC=C1S(=O)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239285	1	40	-1.0	-52.22	347.10	4.33	-47.89
O=C(NC1=CC=CC=C1S(=O)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020239286	0	37	-1.0	-63.61	332.50	3.45	-60.16
O=C(NC1=CC=CC=C1S(=O)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020239286	1	37	-1.0	-63.59	332.56	3.47	-60.12
O=C(NC1=CC=CC=C1S(=O)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020239287	0	37	-1.0	-51.50	333.23	3.46	-48.04
O=C(NC1=CC=CC=C1S(=O)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020239287	1	37	-1.0	-51.49	333.31	3.47	-48.02
CC1=CC=C(CC2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)C=C1	REAL300020239288	0	47	-1.0	-47.99	395.13	8.19	-39.80
CC1=CC=C(CC2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)C=C1	REAL300020239288	1	47	-1.0	-47.98	395.07	8.17	-39.81
CC1=CC=C(CC2=CN=C(NC(=O)N3CCCC3C3=NN=N[N-]3)S2)C=C1	REAL300020239289	0	44	-1.0	-60.07	379.70	7.28	-52.79
CC1=CC=C(CC2=CN=C(NC(=O)N3CCCC3C3=N[N-]N=N3)S2)C=C1	REAL300020239289	1	44	-1.0	-60.10	379.64	7.25	-52.85
CC1=CC=C(CC2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020239290	0	44	-1.0	-48.81	381.18	7.33	-41.48
CC1=CC=C(CC2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020239290	1	44	-1.0	-48.79	381.10	7.32	-41.47
CC1=CC=C(CC2=CN=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)S2)C=C1	REAL300020239291	0	50	-1.0	-55.61	403.37	9.04	-46.57
CC1=CC=C(CC2=CN=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)S2)C=C1	REAL300020239291	1	50	-1.0	-55.57	403.32	9.03	-46.54
CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1I	REAL300020239292	0	35	-1.0	-51.65	311.13	5.18	-46.47
CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1I	REAL300020239292	1	35	-1.0	-51.68	311.19	5.20	-46.48
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1I	REAL300020239293	0	35	-1.0	-41.48	312.52	5.23	-36.25
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1I	REAL300020239293	1	35	-1.0	-41.49	312.59	5.25	-36.24
CN(C)C(=O)CCN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020239294	0	48	-1.0	-46.35	404.04	4.64	-41.71
CN(C)C(=O)CCN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020239294	1	48	-1.0	-46.30	403.99	4.62	-41.68
CN(C)C(=O)CCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020239295	0	48	-1.0	-48.68	385.29	4.15	-44.53
CN(C)C(=O)CCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020239295	1	48	-1.0	-48.68	385.24	4.13	-44.55
CN(C)C(=O)CCN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020239296	0	45	-1.0	-57.05	369.00	3.26	-53.79
CN(C)C(=O)CCN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020239296	1	45	-1.0	-57.05	368.94	3.24	-53.81
CSCC[C@H](NC(=O)NC1=NN(CCC(=O)N(C)C)C=C1)C1=NN=N[N-]1	REAL300020239297	0	48	-1.0	-49.66	413.03	3.22	-46.44
CSCC[C@H](NC(=O)NC1=NN(CCC(=O)N(C)C)C=C1)C1=N[N-]N=N1	REAL300020239297	1	48	-1.0	-49.66	412.97	3.20	-46.46
CN(C)C(=O)CCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020239298	0	45	-1.0	-47.36	370.89	3.29	-44.07
CN(C)C(=O)CCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020239298	1	45	-1.0	-47.34	370.81	3.28	-44.06
CN(C)C(=O)CCN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020239299	0	51	-1.0	-53.24	393.47	5.05	-48.19
CN(C)C(=O)CCN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020239299	1	51	-1.0	-53.22	393.42	5.04	-48.18
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C	REAL300020239300	0	41	-1.0	-43.38	353.79	3.35	-40.03
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C	REAL300020239300	1	41	-1.0	-43.35	353.74	3.33	-40.02
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C	REAL300020239301	0	41	-1.0	-44.77	334.58	2.86	-41.91
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C	REAL300020239301	1	41	-1.0	-44.75	334.52	2.84	-41.91
COC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C	REAL300020239302	0	38	-1.0	-53.78	319.15	1.96	-51.82
COC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C	REAL300020239302	1	38	-1.0	-53.75	319.10	1.94	-51.81
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1C	REAL300020239303	0	41	-1.0	-47.58	362.76	1.93	-45.65
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1C	REAL300020239303	1	41	-1.0	-47.54	362.71	1.91	-45.63
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C	REAL300020239304	0	38	-1.0	-43.81	320.65	2.00	-41.81
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C	REAL300020239304	1	38	-1.0	-43.79	320.57	1.99	-41.80
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C	REAL300020239305	0	44	-1.0	-51.14	343.14	3.86	-47.28
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C	REAL300020239305	1	44	-1.0	-51.10	343.09	3.86	-47.24
O=C(NC1=CC=C(C2CCCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239306	0	48	-1.0	-53.98	387.45	7.97	-46.01
O=C(NC1=CC=C(C2CCCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239306	1	48	-1.0	-53.95	387.39	7.94	-46.01
O=C(NC1=CC=C(C2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239307	0	48	-1.0	-42.65	368.06	7.52	-35.13
O=C(NC1=CC=C(C2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239307	1	48	-1.0	-42.67	368.12	7.54	-35.13
O=C(NC1=CC=C(C2CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239308	0	45	-1.0	-52.90	352.27	6.55	-46.35
O=C(NC1=CC=C(C2CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239308	1	45	-1.0	-52.92	352.33	6.57	-46.35
CSCC[C@H](NC(=O)NC1=CC=C(C2CCCC2)C=C1)C1=N[N-]N=N1	REAL300020239309	0	48	-1.0	-48.36	395.80	6.51	-41.85
CSCC[C@H](NC(=O)NC1=CC=C(C2CCCC2)C=C1)C1=NN=N[N-]1	REAL300020239309	1	48	-1.0	-48.37	395.86	6.53	-41.84
O=C(NC1=CC=C(C2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239310	0	45	-1.0	-43.45	353.66	6.60	-36.85
O=C(NC1=CC=C(C2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239310	1	45	-1.0	-43.48	353.74	6.61	-36.87
O=C(NC1=CC=C(C2CCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239311	0	51	-1.0	-49.79	376.19	8.41	-41.38
O=C(NC1=CC=C(C2CCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239311	1	51	-1.0	-49.85	376.25	8.42	-41.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(Cl)C2=NC=CN=C2C=C1	REAL300020239312	0	39	-1.0	-43.65	352.32	3.94	-39.71
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(Cl)C2=NC=CN=C2C=C1	REAL300020239312	1	39	-1.0	-43.65	352.27	3.92	-39.73
O=C(NC1=C(Cl)C2=NC=CN=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239313	0	39	-1.0	-45.05	334.59	3.46	-41.59
O=C(NC1=C(Cl)C2=NC=CN=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239313	1	39	-1.0	-45.02	334.53	3.45	-41.57
O=C(NC1=C(Cl)C2=NC=CN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239314	0	36	-1.0	-53.36	317.95	2.55	-50.81
O=C(NC1=C(Cl)C2=NC=CN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239314	1	36	-1.0	-53.38	317.89	2.53	-50.85
CSCC[C@H](NC(=O)NC1=C(Cl)C2=NC=CN=C2C=C1)C1=NN=N[N-]1	REAL300020239315	0	39	-1.0	-47.03	361.47	2.51	-44.52
CSCC[C@H](NC(=O)NC1=C(Cl)C2=NC=CN=C2C=C1)C1=N[N-]N=N1	REAL300020239315	1	39	-1.0	-47.04	361.41	2.49	-44.55
O=C(NC1=C(Cl)C2=NC=CN=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239316	0	36	-1.0	-44.85	320.23	2.63	-42.22
O=C(NC1=C(Cl)C2=NC=CN=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239316	1	36	-1.0	-44.81	320.16	2.62	-42.19
O=C(NC1=C(Cl)C2=NC=CN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239317	0	42	-1.0	-46.08	343.80	3.64	-42.44
O=C(NC1=C(Cl)C2=NC=CN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239317	1	42	-1.0	-46.04	343.82	3.62	-42.42
COC(=O)C1=CC(OC(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239318	0	51	-1.0	-42.57	405.11	6.24	-36.33
COC(=O)C1=CC(OC(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239318	1	51	-1.0	-42.56	405.17	6.25	-36.31
COC(=O)C1=CC(OC(C)C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239319	0	48	-1.0	-52.68	389.22	5.29	-47.39
COC(=O)C1=CC(OC(C)C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239319	1	48	-1.0	-52.63	389.28	5.30	-47.33
COC(=O)C1=CC(OC(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239320	0	48	-1.0	-42.97	390.65	5.30	-37.67
COC(=O)C1=CC(OC(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239320	1	48	-1.0	-42.98	390.72	5.31	-37.67
CC1=NC2=C(F)C=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2S1	REAL300020239321	0	40	-1.0	-60.03	363.23	5.03	-55.00
CC1=NC2=C(F)C=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2S1	REAL300020239321	1	40	-1.0	-60.02	363.17	5.00	-55.02
CC1=NC2=C(F)C=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2S1	REAL300020239322	0	40	-1.0	-47.86	344.24	4.50	-43.36
CC1=NC2=C(F)C=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2S1	REAL300020239322	1	40	-1.0	-47.87	344.30	4.52	-43.35
CC1=NC2=C(F)C=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2S1	REAL300020239323	0	37	-1.0	-56.30	328.87	3.61	-52.69
CC1=NC2=C(F)C=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2S1	REAL300020239323	1	37	-1.0	-56.30	328.93	3.62	-52.68
CSCC[C@H](NC(=O)NC1=CC(F)=C2N=C(C)SC2=C1)C1=N[N-]N=N1	REAL300020239324	0	40	-1.0	-49.63	372.11	3.60	-46.03
CSCC[C@H](NC(=O)NC1=CC(F)=C2N=C(C)SC2=C1)C1=NN=N[N-]1	REAL300020239324	1	40	-1.0	-49.68	372.17	3.61	-46.07
CC1=NC2=C(F)C=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2S1	REAL300020239325	0	37	-1.0	-45.75	330.21	3.67	-42.08
CC1=NC2=C(F)C=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2S1	REAL300020239325	1	37	-1.0	-45.85	330.28	3.69	-42.16
CC1=NC2=C(F)C=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2S1	REAL300020239326	0	43	-1.0	-52.85	352.22	5.42	-47.43
CC1=NC2=C(F)C=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2S1	REAL300020239326	1	43	-1.0	-52.86	352.28	5.43	-47.43
COC1=CC(OC)=C2SC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC2=C1	REAL300020239327	0	45	-1.0	-51.67	376.69	3.89	-47.78
COC1=CC(OC)=C2SC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC2=C1	REAL300020239327	1	45	-1.0	-51.60	376.63	3.88	-47.72
COC1=CC(OC)=C2SC(NC(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020239328	0	42	-1.0	-64.13	361.25	2.99	-61.14
COC1=CC(OC)=C2SC(NC(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020239328	1	42	-1.0	-64.15	361.19	2.97	-61.18
COC1=CC(OC)=C2SC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020239328	1	41	-2.0	-119.58	359.74	1.93	-117.65
COC1=CC(OC)=C2SC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020239328	1	41	-2.0	-119.59	359.80	1.95	-117.64
COC1=CC(OC)=C2SC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020239329	0	42	-1.0	-52.17	362.72	3.05	-49.12
COC1=CC(OC)=C2SC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020239329	1	42	-1.0	-52.16	362.65	3.04	-49.12
CCC1=C(C)N=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020239330	0	39	-2.0	-92.46	348.50	4.24	-88.22
CCC1=C(C)N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020239330	1	40	-1.0	-45.55	351.75	5.44	-40.11
CCC1=C(C)N=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020239330	1	39	-2.0	-92.46	348.44	4.22	-88.24
CCC1=C(C)N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020239330	1	40	-1.0	-45.54	351.69	5.42	-40.12
CCC1=C(C)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020239331	0	40	-1.0	-47.62	332.93	4.98	-42.64
CCC1=C(C)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020239331	1	40	-1.0	-47.65	332.99	4.99	-42.66
CCC1=C(C)N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020239332	0	37	-1.0	-59.48	317.04	4.04	-55.44
CCC1=C(C)N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020239332	1	37	-1.0	-59.43	317.10	4.04	-55.39
CCC1=C(C)N=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020239333	0	40	-1.0	-51.71	360.67	4.00	-47.71
CCC1=C(C)N=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020239333	1	40	-1.0	-51.71	360.73	4.02	-47.69
CCC1=C(C)N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020239334	0	37	-1.0	-48.28	318.92	4.12	-44.16
CCC1=C(C)N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020239334	1	37	-1.0	-48.26	318.99	4.13	-44.13
CCC1=C(C)N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020239335	0	43	-1.0	-54.70	340.75	5.82	-48.88
CCC1=C(C)N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020239335	1	43	-1.0	-54.71	340.80	5.82	-48.89
CCC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=N1	REAL300020239336	0	40	-1.0	-53.67	340.25	4.46	-49.21
CCC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=N1	REAL300020239336	1	40	-1.0	-53.61	340.19	4.43	-49.18
CCC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020239337	0	40	-1.0	-43.63	321.24	3.94	-39.69
CCC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020239337	1	40	-1.0	-43.62	321.30	3.96	-39.66
CCC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=N1	REAL300020239338	0	40	-1.0	-46.44	349.24	3.03	-43.41
CCC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=N1	REAL300020239338	1	40	-1.0	-46.48	349.29	3.04	-43.44
CCC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020239339	0	43	-1.0	-40.40	335.67	4.12	-36.28
CCC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020239339	1	43	-1.0	-40.39	335.72	4.14	-36.25
O=C([N-]C1=NC=C(CC2CCCOC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239340	0	47	-2.0	-93.64	401.28	4.52	-89.12
O=C([N-]C1=NC=C(CC2CCCOC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239340	1	47	-2.0	-93.70	401.22	4.49	-89.21
O=C(NC1=NC=C(CC2CCCOC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239340	1	48	-1.0	-46.86	404.53	5.72	-41.14
O=C(NC1=NC=C(CC2CCCOC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239340	1	48	-1.0	-46.90	404.48	5.69	-41.21
O=C(NC1=NC=C(CC2CCCOC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239341	0	48	-1.0	-48.66	385.37	5.23	-43.43
O=C(NC1=NC=C(CC2CCCOC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239341	1	48	-1.0	-48.63	385.31	5.21	-43.42
O=C(NC1=NC=C(CC2CCCOC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020239342	0	45	-1.0	-61.41	369.91	4.33	-57.08
O=C(NC1=NC=C(CC2CCCOC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020239342	1	45	-1.0	-61.38	369.85	4.30	-57.08
CSCC[C@H](NC(=O)NC1=NC=C(CC2CCCOC2)S1)C1=NN=N[N-]1	REAL300020239343	0	48	-1.0	-53.70	413.52	4.29	-49.41
CSCC[C@H](NC(=O)NC1=NC=C(CC2CCCOC2)S1)C1=N[N-]N=N1	REAL300020239343	1	48	-1.0	-53.70	413.46	4.28	-49.42
O=C(NC1=NC=C(CC2CCCOC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239344	0	45	-1.0	-49.51	371.39	4.38	-45.13
O=C(NC1=NC=C(CC2CCCOC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239344	1	45	-1.0	-49.51	371.31	4.36	-45.15
O=C(NC1=NC=C(CC2CCCOC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239345	0	51	-1.0	-55.21	393.82	6.10	-49.11
O=C(NC1=NC=C(CC2CCCOC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239345	1	51	-1.0	-55.17	393.77	6.09	-49.08
O=C([N-]C1=NC=C(CC2CCOCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239346	0	47	-2.0	-102.84	401.36	4.49	-98.35
O=C([N-]C1=NC=C(CC2CCOCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239346	1	47	-2.0	-102.82	401.30	4.47	-98.35
O=C(NC1=NC=C(CC2CCOCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239346	1	48	-1.0	-45.88	404.60	5.69	-40.19
O=C(NC1=NC=C(CC2CCOCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239346	1	48	-1.0	-45.89	404.55	5.67	-40.22
O=C(NC1=NC=C(CC2CCOCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239347	0	48	-1.0	-47.55	385.40	5.21	-42.34
O=C(NC1=NC=C(CC2CCOCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239347	1	48	-1.0	-47.56	385.34	5.20	-42.36
O=C(NC1=NC=C(CC2CCOCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020239348	0	45	-1.0	-59.60	369.97	4.30	-55.30
O=C(NC1=NC=C(CC2CCOCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020239348	1	45	-1.0	-59.62	369.92	4.28	-55.34
CSCC[C@H](NC(=O)NC1=NC=C(CC2CCOCC2)S1)C1=NN=N[N-]1	REAL300020239349	0	48	-1.0	-51.93	413.58	4.27	-47.66
CSCC[C@H](NC(=O)NC1=NC=C(CC2CCOCC2)S1)C1=N[N-]N=N1	REAL300020239349	1	48	-1.0	-51.89	413.53	4.25	-47.64
O=C(NC1=NC=C(CC2CCOCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239350	0	45	-1.0	-48.52	371.45	4.36	-44.16
O=C(NC1=NC=C(CC2CCOCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239350	1	45	-1.0	-48.55	371.38	4.34	-44.21
O=C(NC1=NC=C(CC2CCOCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239351	0	51	-1.0	-55.00	393.65	6.06	-48.94
O=C(NC1=NC=C(CC2CCOCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239351	1	51	-1.0	-55.03	393.60	6.06	-48.97
O=C([N-]C1=NC=C(CC2CCOC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239352	0	44	-2.0	-104.26	385.12	3.81	-100.45
O=C([N-]C1=NC=C(CC2CCOC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239352	1	44	-2.0	-104.29	385.06	3.79	-100.50
O=C(NC1=NC=C(CC2CCOC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239352	1	45	-1.0	-46.98	388.38	5.02	-41.96
O=C(NC1=NC=C(CC2CCOC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239352	1	45	-1.0	-46.96	388.32	5.00	-41.96
O=C(NC1=NC=C(CC2CCOC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239353	0	45	-1.0	-49.35	369.17	4.54	-44.81
O=C(NC1=NC=C(CC2CCOC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239353	1	45	-1.0	-49.30	369.12	4.53	-44.77
O=C(NC1=NC=C(CC2CCOC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020239354	0	42	-1.0	-60.73	354.22	3.68	-57.05
O=C(NC1=NC=C(CC2CCOC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020239354	1	42	-1.0	-60.73	354.16	3.67	-57.06
CSCC[C@H](NC(=O)NC1=NC=C(CC2CCOC2)S1)C1=NN=N[N-]1	REAL300020239355	0	45	-1.0	-53.47	397.36	3.60	-49.87
CSCC[C@H](NC(=O)NC1=NC=C(CC2CCOC2)S1)C1=N[N-]N=N1	REAL300020239355	1	45	-1.0	-53.43	397.30	3.58	-49.85
O=C(NC1=NC=C(CC2CCOC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239356	0	42	-1.0	-49.50	356.14	3.74	-45.76
O=C(NC1=NC=C(CC2CCOC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239356	1	42	-1.0	-49.50	356.06	3.73	-45.77
O=C(NC1=NC=C(CC2CCOC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239357	0	48	-1.0	-55.75	378.14	5.46	-50.29
O=C(NC1=NC=C(CC2CCOC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239357	1	48	-1.0	-55.70	378.09	5.44	-50.26
CNC(=O)CN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020239358	0	42	-1.0	-54.69	364.09	2.14	-52.55
CNC(=O)CN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020239358	1	42	-1.0	-54.65	364.03	2.11	-52.54
CNC(=O)CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020239359	0	42	-1.0	-55.87	344.90	1.66	-54.21
CNC(=O)CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020239359	1	42	-1.0	-55.84	344.85	1.65	-54.19
CNC(=O)CN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020239360	0	39	-1.0	-64.57	329.45	0.75	-63.82
CNC(=O)CN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020239360	1	39	-1.0	-64.49	329.39	0.72	-63.77
CNC(=O)CN1C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020239361	0	42	-1.0	-60.24	373.05	0.72	-59.52
CNC(=O)CN1C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020239361	1	42	-1.0	-60.20	372.99	0.70	-59.50
CNC(=O)CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020239362	0	39	-1.0	-55.22	330.91	0.79	-54.43
CNC(=O)CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020239362	1	39	-1.0	-55.21	330.83	0.78	-54.43
CNC(=O)CN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020239363	0	45	-1.0	-59.58	352.85	2.53	-57.05
CNC(=O)CN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020239363	1	45	-1.0	-59.61	352.81	2.52	-57.09
CC1=C2N=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN2N=C1	REAL300020239364	0	40	-1.0	-47.67	350.12	4.39	-43.28
CC1=C2N=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN2N=C1	REAL300020239364	1	40	-1.0	-47.65	350.07	4.37	-43.28
CC1=C2N=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN2N=C1	REAL300020239365	0	40	-1.0	-46.42	326.01	3.69	-42.73
CC1=C2N=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN2N=C1	REAL300020239365	1	40	-1.0	-46.38	325.95	3.67	-42.71
CC1=C2N=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CN2N=C1	REAL300020239366	0	37	-1.0	-55.70	315.90	2.98	-52.72
CC1=C2N=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CN2N=C1	REAL300020239366	1	37	-1.0	-55.68	315.84	2.96	-52.72
CSCC[C@H](NC(=O)NC1=CN2N=CC(C)=C2N=C1)C1=NN=N[N-]1	REAL300020239367	0	40	-1.0	-48.79	359.09	2.91	-45.88
CSCC[C@H](NC(=O)NC1=CN2N=CC(C)=C2N=C1)C1=N[N-]N=N1	REAL300020239367	1	40	-1.0	-48.81	359.03	2.90	-45.91
CC1=C2N=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CN2N=C1	REAL300020239368	0	37	-1.0	-46.68	316.94	3.02	-43.66
CC1=C2N=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CN2N=C1	REAL300020239368	1	37	-1.0	-46.67	316.86	3.01	-43.66
CC1=C2N=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CN2N=C1	REAL300020239369	0	43	-1.0	-41.44	341.16	4.29	-37.15
CC1=C2N=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CN2N=C1	REAL300020239369	1	43	-1.0	-41.50	341.12	4.29	-37.21
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=C1	REAL300020239370	0	41	-1.0	-40.97	345.81	6.51	-34.46
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Br)=C1	REAL300020239370	1	41	-1.0	-41.00	345.87	6.53	-34.47
CCC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=C1	REAL300020239371	0	38	-1.0	-51.16	330.50	5.59	-45.57
CCC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=C1	REAL300020239371	1	38	-1.0	-51.19	330.55	5.61	-45.58
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Br)=C1	REAL300020239372	0	41	-1.0	-44.44	374.04	5.56	-38.88
CCC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Br)=C1	REAL300020239372	1	41	-1.0	-44.49	374.09	5.58	-38.91
CCC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020239373	0	38	-1.0	-41.09	331.85	5.63	-35.46
CCC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020239373	1	38	-1.0	-41.12	331.92	5.65	-35.47
CCC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=C1	REAL300020239374	0	44	-1.0	-47.10	353.39	7.47	-39.63
CCC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=C1	REAL300020239374	1	44	-1.0	-47.09	353.44	7.48	-39.61
O=C(NC1=CN(CC2CCC2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239375	0	45	-1.0	-46.02	374.75	5.46	-40.56
O=C(NC1=CN(CC2CCC2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239375	1	45	-1.0	-46.00	374.69	5.44	-40.56
O=C(NC1=CN(CC2CCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239376	0	45	-1.0	-47.22	355.56	5.01	-42.21
O=C(NC1=CN(CC2CCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239376	1	45	-1.0	-47.15	355.51	4.99	-42.16
O=C(NC1=CN(CC2CCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239377	0	42	-1.0	-59.81	340.12	4.08	-55.73
O=C(NC1=CN(CC2CCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239377	1	42	-1.0	-59.79	340.06	4.07	-55.72
CSCC[C@H](NC(=O)NC1=CN(CC2CCC2)N=C1)C1=NN=N[N-]1	REAL300020239378	0	45	-1.0	-51.69	383.73	4.05	-47.64
CSCC[C@H](NC(=O)NC1=CN(CC2CCC2)N=C1)C1=N[N-]N=N1	REAL300020239378	1	45	-1.0	-51.64	383.67	4.03	-47.61
O=C(NC1=CN(CC2CCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239379	0	42	-1.0	-48.51	341.61	4.13	-44.38
O=C(NC1=CN(CC2CCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239379	1	42	-1.0	-48.48	341.53	4.12	-44.36
O=C(NC1=CN(CC2CCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239380	0	48	-1.0	-55.99	363.57	5.88	-50.11
O=C(NC1=CN(CC2CCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239380	1	48	-1.0	-55.96	363.53	5.87	-50.09
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(N2C=CC=C2)C(Cl)=C1	REAL300020239381	0	43	-1.0	-56.98	381.87	8.18	-48.80
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(N2C=CC=C2)C(Cl)=C1	REAL300020239381	1	43	-1.0	-56.97	381.81	8.16	-48.81
O=C(NC1=CC=C(N2C=CC=C2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239382	0	43	-1.0	-42.11	362.80	7.67	-34.44
O=C(NC1=CC=C(N2C=CC=C2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239382	1	43	-1.0	-42.12	362.86	7.69	-34.43
O=C(NC1=CC=C(N2C=CC=C2)C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239383	0	40	-1.0	-50.74	347.20	6.78	-43.96
O=C(NC1=CC=C(N2C=CC=C2)C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239383	1	40	-1.0	-50.78	347.26	6.80	-43.98
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC=C2)C(Cl)=C1)C1=N[N-]N=N1	REAL300020239384	0	43	-1.0	-49.75	390.77	6.75	-43.00
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC=C2)C(Cl)=C1)C1=NN=N[N-]1	REAL300020239384	1	43	-1.0	-49.72	390.82	6.76	-42.96
O=C(NC1=CC=C(N2C=CC=C2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239385	0	40	-1.0	-42.00	348.59	6.84	-35.16
O=C(NC1=CC=C(N2C=CC=C2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239385	1	40	-1.0	-41.99	348.66	6.85	-35.14
O=C(NC1=CC=C(N2C=CC=C2)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239386	0	46	-1.0	-38.78	377.28	7.85	-30.93
O=C(NC1=CC=C(N2C=CC=C2)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239386	1	46	-1.0	-38.84	377.33	7.87	-30.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2CCOCC2=O)=C1	REAL300020239387	0	47	-1.0	-59.87	395.59	4.18	-55.69
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2CCOCC2=O)=C1	REAL300020239387	1	47	-1.0	-59.89	395.65	4.21	-55.68
O=C(NC1=CC=CC(N2CCOCC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239388	0	47	-1.0	-50.15	374.78	3.76	-46.39
O=C(NC1=CC=CC(N2CCOCC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239388	1	47	-1.0	-50.11	374.84	3.78	-46.33
O=C(NC1=CC(N2CCOCC2=O)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239389	0	44	-1.0	-64.21	360.63	2.84	-61.37
O=C(NC1=CC(N2CCOCC2=O)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239389	1	44	-1.0	-64.23	360.69	2.86	-61.37
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCOCC2=O)=C1)C1=N[N-]N=N1	REAL300020239390	0	47	-1.0	-58.50	404.14	2.81	-55.69
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCOCC2=O)=C1)C1=NN=N[N-]1	REAL300020239390	1	47	-1.0	-58.55	404.20	2.82	-55.73
O=C(NC1=CC=CC(N2CCOCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239391	0	44	-1.0	-50.01	362.00	2.87	-47.14
O=C(NC1=CC=CC(N2CCOCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239391	1	44	-1.0	-50.00	362.07	2.89	-47.11
O=C(NC1=CC(N2CCOCC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239392	0	50	-1.0	-52.79	388.93	3.85	-48.94
O=C(NC1=CC(N2CCOCC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239392	1	50	-1.0	-45.63	388.96	3.85	-41.78
O=C(NC1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239393	0	42	-1.0	-53.35	361.91	6.95	-46.40
O=C(NC1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239393	1	42	-1.0	-53.36	361.97	6.97	-46.39
O=C(NC1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239394	0	42	-1.0	-45.45	363.29	7.01	-38.44
O=C(NC1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239394	1	42	-1.0	-45.44	363.37	7.02	-38.42
O=C(NC1=CC=NC(COC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239395	0	47	-1.0	-45.54	383.83	5.70	-39.84
O=C(NC1=CC=NC(COC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239395	1	47	-1.0	-45.53	383.89	5.72	-39.81
O=C(NC1=CC=NC(COC2=CC=CC=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020239396	0	44	-1.0	-64.13	371.30	5.37	-58.76
O=C(NC1=CC=NC(COC2=CC=CC=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020239396	1	44	-1.0	-64.15	371.36	5.38	-58.77
O=C(NC1=CC=NC(COC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239397	0	44	-1.0	-53.37	372.66	5.43	-47.94
O=C(NC1=CC=NC(COC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239397	1	44	-1.0	-53.40	372.73	5.44	-47.96
O=C(NC1=CC=NC(COC2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239398	0	50	-1.0	-48.14	399.49	6.29	-41.85
O=C(NC1=CC=NC(COC2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239398	1	50	-1.0	-48.16	399.55	6.29	-41.87
O=C(NC1=CC2=C3C(=C1)CCC(=O)N3CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239399	0	50	-1.0	-46.73	383.85	6.31	-40.42
O=C(NC1=CC2=C3C(=C1)CCC(=O)N3CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239399	1	50	-1.0	-46.76	383.91	6.33	-40.43
O=C(NC1=CC2=C3C(=C1)CCC(=O)N3CCC2)N1CCCC1C1=N[N-]N=N1	REAL300020239400	0	47	-1.0	-56.74	368.26	5.45	-51.29
O=C(NC1=CC2=C3C(=C1)CCC(=O)N3CCC2)N1CCCC1C1=NN=N[N-]1	REAL300020239400	1	47	-1.0	-56.74	368.31	5.46	-51.28
O=C(NC1=CC2=C3C(=C1)CCC(=O)N3CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020239401	0	47	-1.0	-47.03	369.85	5.54	-41.49
O=C(NC1=CC2=C3C(=C1)CCC(=O)N3CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020239401	1	47	-1.0	-47.08	369.92	5.55	-41.53
O=C(NC1=CC2=C3C(=C1)CCC(=O)N3CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020239402	0	53	-1.0	-42.86	398.65	6.53	-36.33
O=C(NC1=CC2=C3C(=C1)CCC(=O)N3CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020239402	1	53	-1.0	-42.84	398.69	6.54	-36.30
O=C(NC1=CN2C=C(C3=CC=CC=C3)N=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239403	0	48	-1.0	-48.18	387.79	8.30	-39.88
O=C(NC1=CN2C=C(C3=CC=CC=C3)N=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239403	1	48	-1.0	-48.19	387.85	8.32	-39.87
O=C(NC1=CN2C=C(C3=CC=CC=C3)N=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239404	0	45	-1.0	-58.82	377.29	7.55	-51.27
O=C(NC1=CN2C=C(C3=CC=CC=C3)N=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239404	1	45	-1.0	-58.85	377.35	7.57	-51.28
O=C(NC1=CN2C=C(C3=CC=CC=C3)N=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239405	0	45	-1.0	-48.75	378.75	7.61	-41.14
O=C(NC1=CN2C=C(C3=CC=CC=C3)N=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239405	1	45	-1.0	-48.77	378.82	7.61	-41.16
COCC1=C(C)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239406	0	45	-1.0	-44.87	372.27	5.31	-39.56
COCC1=C(C)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239406	1	45	-1.0	-44.85	372.21	5.28	-39.57
COCC1=C(C)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239407	0	45	-1.0	-44.28	351.98	4.77	-39.51
COCC1=C(C)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239407	1	45	-1.0	-44.31	352.04	4.79	-39.52
COCC1=C(C)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239408	0	42	-1.0	-53.28	336.96	3.84	-49.44
COCC1=C(C)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239408	1	42	-1.0	-53.29	337.01	3.85	-49.44
COCC1=C(C)C=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020239409	0	45	-1.0	-46.22	380.47	3.79	-42.43
COCC1=C(C)C=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020239409	1	45	-1.0	-46.23	380.53	3.81	-42.42
COCC1=C(C)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239410	0	42	-1.0	-44.04	339.00	3.91	-40.13
COCC1=C(C)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239410	1	42	-1.0	-44.00	339.07	3.93	-40.07
COCC1=C(C)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239411	0	48	-1.0	-52.90	361.25	5.62	-47.28
COCC1=C(C)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239411	1	48	-1.0	-52.87	361.30	5.62	-47.25
CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)F)=N1	REAL300020239412	0	38	-1.0	-42.69	336.38	3.51	-39.18
CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(F)F)=N1	REAL300020239412	1	38	-1.0	-42.67	336.32	3.49	-39.18
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)F)=N1	REAL300020239413	0	38	-1.0	-43.59	320.72	2.92	-40.67
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)F)=N1	REAL300020239413	1	38	-1.0	-43.61	320.78	2.94	-40.67
CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(F)F)=N1	REAL300020239414	0	35	-1.0	-52.05	301.69	2.11	-49.94
CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(F)F)=N1	REAL300020239414	1	35	-1.0	-52.06	301.74	2.14	-49.92
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C(F)F)C1=N[N-]N=N1	REAL300020239415	0	38	-1.0	-45.29	348.90	1.97	-43.32
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C(F)F)C1=NN=N[N-]1	REAL300020239415	1	38	-1.0	-45.27	348.95	1.99	-43.28
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)F)=N1	REAL300020239416	0	35	-1.0	-43.07	303.16	2.16	-40.91
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)F)=N1	REAL300020239416	1	35	-1.0	-43.00	303.24	2.17	-40.83
CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)F)=N1	REAL300020239417	0	41	-1.0	-47.36	329.29	3.91	-43.45
CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)F)=N1	REAL300020239417	1	41	-1.0	-47.32	329.34	3.92	-43.40
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C1=CC=CC=C1F	REAL300020239418	0	45	-1.0	-48.47	388.16	7.56	-40.91
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C1=CC=CC=C1F	REAL300020239418	1	45	-1.0	-48.44	388.10	7.53	-40.91
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=CC=CC=C1F	REAL300020239419	0	45	-1.0	-50.90	368.79	7.06	-43.84
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=CC=CC=C1F	REAL300020239419	1	45	-1.0	-50.87	368.84	7.08	-43.79
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300020239420	0	42	-1.0	-59.86	353.67	6.14	-53.72
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300020239420	1	42	-1.0	-59.86	353.73	6.17	-53.69
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2F)C(C)=C1)C1=N[N-]N=N1	REAL300020239421	0	45	-1.0	-52.28	397.17	6.12	-46.16
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2F)C(C)=C1)C1=NN=N[N-]1	REAL300020239421	1	45	-1.0	-52.28	397.23	6.13	-46.15
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1F	REAL300020239422	0	42	-1.0	-48.97	355.12	6.22	-42.75
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1F	REAL300020239422	1	42	-1.0	-49.00	355.19	6.22	-42.78
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300020239423	0	48	-1.0	-56.49	376.26	8.03	-48.46
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300020239423	1	48	-1.0	-56.45	376.31	8.05	-48.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(C2=CC=CC=C2)=CC=C1F	REAL300020239424	0	45	-1.0	-49.80	382.93	8.36	-41.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(C2=CC=CC=C2)=CC=C1F	REAL300020239424	1	45	-1.0	-49.74	382.87	8.33	-41.41
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239425	0	45	-1.0	-44.97	364.31	7.81	-37.16
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239425	1	45	-1.0	-44.94	364.37	7.82	-37.12
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020239426	0	42	-1.0	-55.11	347.79	6.90	-48.21
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020239426	1	42	-1.0	-55.09	347.85	6.93	-48.16
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CC=C2)=CC=C1F)C1=N[N-]N=N1	REAL300020239427	0	45	-1.0	-48.28	392.12	6.89	-41.39
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CC=C2)=CC=C1F)C1=NN=N[N-]1	REAL300020239427	1	45	-1.0	-48.31	392.18	6.91	-41.40
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020239428	0	42	-1.0	-44.91	349.95	6.96	-37.95
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020239428	1	42	-1.0	-44.88	350.03	6.98	-37.90
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020239429	0	48	-1.0	-50.74	371.83	8.70	-42.04
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020239429	1	48	-1.0	-50.71	371.90	8.70	-42.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=C(F)C=C1F	REAL300020239430	0	35	-1.0	-49.70	331.35	5.45	-44.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=C(F)C=C1F	REAL300020239430	1	35	-1.0	-49.70	331.29	5.43	-44.27
O=C(NC1=CC(Cl)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239431	0	35	-1.0	-40.14	311.49	4.96	-35.18
O=C(NC1=CC(Cl)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239431	1	35	-1.0	-40.13	311.55	4.97	-35.16
O=C(NC1=CC(Cl)=C(F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020239432	0	32	-1.0	-48.26	296.19	4.06	-44.20
O=C(NC1=CC(Cl)=C(F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020239432	1	32	-1.0	-48.25	296.25	4.07	-44.18
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(F)C=C1F)C1=N[N-]N=N1	REAL300020239433	0	35	-1.0	-43.01	340.51	4.03	-38.98
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(F)C=C1F)C1=NN=N[N-]1	REAL300020239433	1	35	-1.0	-43.09	340.57	4.05	-39.04
O=C(NC1=CC(Cl)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020239434	0	32	-1.0	-40.37	298.36	4.10	-36.27
O=C(NC1=CC(Cl)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020239434	1	32	-1.0	-40.42	298.43	4.11	-36.31
O=C(NC1=CC(Cl)=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020239435	0	38	-1.0	-44.70	320.18	5.84	-38.86
O=C(NC1=CC(Cl)=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020239435	1	38	-1.0	-44.69	320.24	5.84	-38.85
CCC1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239436	0	40	-1.0	-43.58	337.69	4.66	-38.92
CCC1=NC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239436	1	40	-1.0	-43.61	337.63	4.63	-38.98
CCC1=NC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239437	0	40	-1.0	-42.48	316.89	4.04	-38.44
CCC1=NC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239437	1	40	-1.0	-42.51	316.95	4.05	-38.46
CCC1=NC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020239438	0	40	-1.0	-45.27	346.17	3.13	-42.14
CCC1=NC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020239438	1	40	-1.0	-45.26	346.23	3.14	-42.12
CCC1=NC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239439	0	43	-1.0	-48.81	326.45	5.07	-43.74
CCC1=NC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239439	1	43	-1.0	-48.82	326.50	5.08	-43.74
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN=C1C1=CC=CN=C1	REAL300020239440	0	43	-1.0	-51.70	368.35	5.34	-46.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN=C1C1=CC=CN=C1	REAL300020239440	1	43	-1.0	-51.70	368.30	5.32	-46.38
O=C(NC1=CC=CN=C1C1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239441	0	43	-1.0	-43.68	347.99	4.85	-38.83
O=C(NC1=CC=CN=C1C1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239441	1	43	-1.0	-43.67	347.94	4.84	-38.83
O=C(NC1=CC=CN=C1C1=CC=CN=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239442	0	40	-1.0	-53.63	332.60	3.84	-49.79
O=C(NC1=CC=CN=C1C1=CC=CN=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239442	1	40	-1.0	-53.61	332.54	3.82	-49.79
CSCC[C@H](NC(=O)NC1=CC=CN=C1C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020239443	0	43	-1.0	-48.04	376.20	3.90	-44.14
CSCC[C@H](NC(=O)NC1=CC=CN=C1C1=CC=CN=C1)C1=N[N-]N=N1	REAL300020239443	1	43	-1.0	-48.03	376.14	3.89	-44.14
O=C(NC1=CC=CN=C1C1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239444	0	40	-1.0	-43.15	333.95	3.90	-39.25
O=C(NC1=CC=CN=C1C1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239444	1	40	-1.0	-43.16	333.87	3.88	-39.28
O=C(NC1=CC=CN=C1C1=CC=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239445	0	46	-1.0	-47.55	352.58	5.82	-41.73
O=C(NC1=CC=CN=C1C1=CC=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239445	1	46	-1.0	-47.56	352.54	5.81	-41.75
O=C(NC1=CC(Br)=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239446	0	38	-1.0	-44.81	331.56	3.54	-41.27
O=C(NC1=CC(Br)=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239446	1	38	-1.0	-44.84	331.62	3.56	-41.28
O=C(NC1=CC(Br)=C2OCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239447	0	35	-1.0	-53.66	316.19	2.65	-51.01
O=C(NC1=CC(Br)=C2OCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239447	1	35	-1.0	-53.66	316.25	2.66	-51.00
O=C(NC1=CC(Br)=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239448	0	35	-1.0	-44.71	317.23	2.73	-41.98
O=C(NC1=CC(Br)=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239448	1	35	-1.0	-44.67	317.31	2.75	-41.92
COC(=O)CCN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020239449	0	44	-1.0	-45.03	382.12	5.18	-39.85
COC(=O)CCN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020239449	1	44	-1.0	-44.99	382.06	5.15	-39.84
COC(=O)CCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020239450	0	44	-1.0	-46.99	362.96	4.70	-42.29
COC(=O)CCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020239450	1	44	-1.0	-46.96	362.90	4.68	-42.28
COC(=O)CCN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020239451	0	41	-1.0	-55.39	347.48	3.78	-51.61
COC(=O)CCN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020239451	1	41	-1.0	-55.40	347.42	3.77	-51.63
COC(=O)CCN1C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020239452	0	44	-1.0	-48.59	391.10	3.75	-44.84
COC(=O)CCN1C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020239452	1	44	-1.0	-48.60	391.05	3.74	-44.86
COC(=O)CCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020239453	0	41	-1.0	-45.96	348.97	3.83	-42.13
COC(=O)CCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020239453	1	41	-1.0	-45.96	348.89	3.81	-42.15
COC(=O)CCN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020239454	0	47	-1.0	-50.97	370.90	5.56	-45.41
COC(=O)CCN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020239454	1	47	-1.0	-50.95	370.85	5.56	-45.39
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C2OCOC2=C1	REAL300020239455	0	37	-1.0	-45.13	324.15	0.43	-44.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C2OCOC2=C1	REAL300020239455	1	37	-1.0	-45.11	324.09	0.41	-44.70
O=C(NC1=CN=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239456	0	37	-1.0	-46.85	305.08	-0.13	-46.98
O=C(NC1=CN=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239456	1	37	-1.0	-46.84	305.03	-0.15	-46.99
O=C(NC1=CN=C2OCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239457	0	34	-1.0	-57.04	289.62	-0.96	-58.00
O=C(NC1=CN=C2OCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239457	1	34	-1.0	-57.01	289.56	-0.99	-58.00
CSCC[C@H](NC(=O)NC1=CN=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020239458	0	37	-1.0	-48.00	333.32	-1.02	-49.02
CSCC[C@H](NC(=O)NC1=CN=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020239458	1	37	-1.0	-48.00	333.26	-1.04	-49.04
O=C(NC1=CN=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239459	0	34	-1.0	-46.60	290.92	-0.89	-47.49
O=C(NC1=CN=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239459	1	34	-1.0	-46.57	290.85	-0.91	-47.48
O=C(NC1=CN=C2OCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239460	0	40	-1.0	-50.49	313.16	0.82	-49.67
O=C(NC1=CN=C2OCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239460	1	40	-1.0	-50.46	313.10	0.80	-49.66
COC(=O)C1=CN2N=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=C2C=C1	REAL300020239461	0	43	-1.0	-55.60	382.17	7.78	-47.82
COC(=O)C1=CN2N=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=C2C=C1	REAL300020239461	1	43	-1.0	-55.59	382.11	7.75	-47.84
COC(=O)C1=CN2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)N=C2C=C1	REAL300020239462	0	43	-1.0	-50.78	362.92	7.28	-43.50
COC(=O)C1=CN2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)N=C2C=C1	REAL300020239462	1	43	-1.0	-50.75	362.86	7.27	-43.48
COC(=O)C1=CN2N=C(NC(=O)N3CCCC3C3=NN=N[N-]3)N=C2C=C1	REAL300020239463	0	40	-1.0	-60.52	347.52	6.40	-54.12
COC(=O)C1=CN2N=C(NC(=O)N3CCCC3C3=N[N-]N=N3)N=C2C=C1	REAL300020239463	1	40	-1.0	-60.52	347.46	6.38	-54.14
COC(=O)C1=CN2N=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N=C2C=C1	REAL300020239464	0	43	-1.0	-53.69	391.13	6.35	-47.34
COC(=O)C1=CN2N=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N=C2C=C1	REAL300020239464	1	43	-1.0	-53.67	391.08	6.34	-47.33
COC(=O)C1=CN2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020239465	0	40	-1.0	-50.28	349.00	6.45	-43.83
COC(=O)C1=CN2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020239465	1	40	-1.0	-50.27	348.93	6.44	-43.83
COC(=O)C1=CN2N=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2C=C1	REAL300020239466	0	46	-1.0	-56.05	371.44	8.17	-47.88
COC(=O)C1=CN2N=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2C=C1	REAL300020239466	1	46	-1.0	-56.07	371.39	8.16	-47.91
O=C(NC1=NN(C2CC2(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239467	0	39	-1.0	-47.44	348.16	5.27	-42.17
O=C(NC1=NN(C2CC2(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239467	1	39	-1.0	-47.47	348.10	5.25	-42.22
O=C(NC1=NN(C2CC2(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239468	0	39	-1.0	-48.92	328.97	4.79	-44.13
O=C(NC1=NN(C2CC2(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239468	1	39	-1.0	-48.92	328.91	4.77	-44.15
O=C(NC1=NN(C2CC2(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239469	0	36	-1.0	-57.82	313.53	3.88	-53.94
O=C(NC1=NN(C2CC2(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239469	1	36	-1.0	-57.85	313.47	3.86	-53.99
CSCC[C@H](NC(=O)NC1=NN(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300020239470	0	39	-1.0	-51.83	357.14	3.85	-47.98
CSCC[C@H](NC(=O)NC1=NN(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300020239470	1	39	-1.0	-51.81	357.08	3.83	-47.98
O=C(NC1=NN(C2CC2(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239471	0	36	-1.0	-48.15	315.01	3.92	-44.23
O=C(NC1=NN(C2CC2(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239471	1	36	-1.0	-48.15	314.94	3.91	-44.24
O=C(NC1=NN(C2CC2(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239472	0	42	-1.0	-53.44	336.96	5.66	-47.78
O=C(NC1=NN(C2CC2(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239472	1	42	-1.0	-53.45	336.92	5.65	-47.80
CCCC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020239473	0	46	-1.0	-51.60	387.79	6.84	-44.76
CCCC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020239473	1	46	-1.0	-51.60	387.73	6.81	-44.79
CCCC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020239474	0	46	-1.0	-46.35	367.45	6.37	-39.98
CCCC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020239474	1	46	-1.0	-46.37	367.51	6.39	-39.98
CCCC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020239475	0	43	-1.0	-71.78	353.10	5.44	-66.34
CCCC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020239475	1	43	-1.0	-71.76	353.16	5.45	-66.31
CCCC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020239476	0	46	-1.0	-49.36	396.62	5.42	-43.94
CCCC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020239476	1	46	-1.0	-49.38	396.68	5.43	-43.95
CCCC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020239477	0	43	-1.0	-54.86	354.46	5.49	-49.37
CCCC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020239477	1	43	-1.0	-54.90	354.53	5.50	-49.40
CCCC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020239478	0	49	-1.0	-51.01	376.75	7.22	-43.79
CCCC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020239478	1	49	-1.0	-51.02	376.81	7.23	-43.79
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239479	0	51	0.0	-66.02	409.46	6.59	-59.43
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239479	1	51	0.0	-66.02	409.40	6.56	-59.46
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239480	0	51	0.0	-71.06	390.45	6.09	-64.97
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239480	1	51	0.0	-71.03	390.50	6.11	-64.92
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239481	0	48	0.0	-82.46	375.88	5.18	-77.28
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239481	1	48	0.0	-82.45	375.94	5.21	-77.24
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC[NH+](C)C)C1=N[N-]N=N1	REAL300020239482	0	51	0.0	-74.49	418.76	5.14	-69.35
CSCC[C@H](NC(=O)NC1=CC=CC=C1OCC[NH+](C)C)C1=NN=N[N-]1	REAL300020239482	1	51	0.0	-74.49	418.82	5.15	-69.34
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239483	0	48	0.0	-71.27	376.38	5.25	-66.02
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239483	1	48	0.0	-71.24	376.45	5.25	-65.99
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239484	0	54	0.0	-37.96	401.39	6.38	-31.58
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239484	1	54	0.0	-37.96	401.48	6.40	-31.56
CCCCC1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=N1	REAL300020239485	0	48	-1.0	-45.50	398.19	5.80	-39.70
CCCCC1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=N1	REAL300020239485	1	48	-1.0	-45.49	398.13	5.77	-39.72
CCCCC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020239486	0	48	-1.0	-44.08	379.07	5.26	-38.82
CCCCC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020239486	1	48	-1.0	-44.09	379.13	5.27	-38.82
CCCCC1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020239487	0	45	-1.0	-55.53	362.67	4.32	-51.21
CCCCC1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020239487	1	45	-1.0	-55.56	362.73	4.35	-51.21
CCCCC1=NC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020239488	0	48	-1.0	-46.34	406.36	4.27	-42.07
CCCCC1=NC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020239488	1	48	-1.0	-46.34	406.42	4.28	-42.06
CCCCC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020239489	0	45	-1.0	-44.54	364.19	4.37	-40.17
CCCCC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020239489	1	45	-1.0	-44.62	364.27	4.38	-40.24
CCCCC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020239490	0	51	-1.0	-51.87	386.62	6.22	-45.65
CCCCC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020239490	1	51	-1.0	-51.88	386.67	6.23	-45.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(C=N1)OCCO2	REAL300020239491	0	40	-1.0	-46.81	343.83	3.65	-43.16
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(C=N1)OCCO2	REAL300020239491	1	40	-1.0	-46.77	343.77	3.63	-43.14
O=C(NC1=CC2=C(C=N1)OCCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239492	0	40	-1.0	-49.06	324.72	3.19	-45.87
O=C(NC1=CC2=C(C=N1)OCCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239492	1	40	-1.0	-49.04	324.67	3.17	-45.87
O=C(NC1=CC2=C(C=N1)OCCO2)N1CCCC1C1=NN=N[N-]1	REAL300020239493	0	37	-1.0	-60.00	309.15	2.30	-57.70
O=C(NC1=CC2=C(C=N1)OCCO2)N1CCCC1C1=N[N-]N=N1	REAL300020239493	1	37	-1.0	-59.93	309.09	2.27	-57.66
CSCC[C@H](NC(=O)NC1=CC2=C(C=N1)OCCO2)C1=NN=N[N-]1	REAL300020239494	0	40	-1.0	-52.61	352.83	2.23	-50.38
CSCC[C@H](NC(=O)NC1=CC2=C(C=N1)OCCO2)C1=N[N-]N=N1	REAL300020239494	1	40	-1.0	-52.61	352.78	2.21	-50.40
O=C(NC1=CC2=C(C=N1)OCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020239495	0	37	-1.0	-49.21	310.71	2.33	-46.88
O=C(NC1=CC2=C(C=N1)OCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020239495	1	37	-1.0	-49.21	310.64	2.32	-46.89
O=C(NC1=CC2=C(C=N1)OCCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020239496	0	43	-1.0	-55.38	332.80	4.05	-51.33
O=C(NC1=CC2=C(C=N1)OCCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020239496	1	43	-1.0	-55.38	332.75	4.04	-51.34
CC1(C)CC2=C(SC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)C(C)(C)O1	REAL300020239497	0	51	-1.0	-47.59	402.63	5.71	-41.88
CC1(C)CC2=C(SC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)C(C)(C)O1	REAL300020239497	1	51	-1.0	-47.58	402.68	5.72	-41.86
CC1(C)CC2=C(SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)C(C)(C)O1	REAL300020239497	1	50	-2.0	-94.77	401.58	4.87	-89.90
CC1(C)CC2=C(SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)C(C)(C)O1	REAL300020239497	1	50	-2.0	-94.84	401.64	4.89	-89.95
CC1(C)CC2=C(SC(NC(=O)N3CCCC3C3=N[N-]N=N3)=N2)C(C)(C)O1	REAL300020239498	0	48	-1.0	-59.23	387.35	4.81	-54.42
CC1(C)CC2=C(SC(NC(=O)N3CCCC3C3=NN=N[N-]3)=N2)C(C)(C)O1	REAL300020239498	1	48	-1.0	-59.21	387.41	4.82	-54.39
CC1(C)CC2=C(SC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C(C)(C)O1	REAL300020239498	1	47	-2.0	-118.21	385.80	3.75	-114.46
CC1(C)CC2=C(SC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C(C)(C)O1	REAL300020239498	1	47	-2.0	-118.21	385.86	3.77	-114.44
CC1(C)CC2=C(SC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C(C)(C)O1	REAL300020239499	0	48	-1.0	-48.11	387.94	4.82	-43.29
CC1(C)CC2=C(SC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C(C)(C)O1	REAL300020239499	1	48	-1.0	-48.12	388.02	4.84	-43.28
CC1(C)CC2=C(SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C(C)(C)O1	REAL300020239499	1	47	-2.0	-96.48	385.74	3.79	-92.69
CC1(C)CC2=C(SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C(C)(C)O1	REAL300020239499	1	47	-2.0	-96.49	385.81	3.80	-92.69
CCC(=O)C1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020239500	0	43	-1.0	-64.90	371.83	6.18	-58.72
CCC(=O)C1=CC=C(F)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020239500	1	43	-1.0	-64.91	371.77	6.15	-58.76
CCC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020239501	0	43	-1.0	-50.99	351.65	5.73	-45.26
CCC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020239501	1	43	-1.0	-51.00	351.71	5.74	-45.26
CCC(=O)C1=CC=C(F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020239502	0	40	-1.0	-63.04	336.67	4.77	-58.27
CCC(=O)C1=CC=C(F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020239502	1	40	-1.0	-63.04	336.72	4.79	-58.25
CCC(=O)C1=CC=C(F)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020239503	0	43	-1.0	-59.09	380.17	4.74	-54.35
CCC(=O)C1=CC=C(F)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020239503	1	43	-1.0	-59.05	380.23	4.75	-54.30
CCC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020239504	0	40	-1.0	-52.28	338.82	4.83	-47.45
CCC(=O)C1=CC=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020239504	1	40	-1.0	-52.36	338.90	4.85	-47.51
CCC(=O)C1=CC=C(F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020239505	0	46	-1.0	-57.23	360.73	6.57	-50.66
CCC(=O)C1=CC=C(F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020239505	1	46	-1.0	-57.22	360.79	6.58	-50.64
CC1=CC=C(OCC2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239506	0	52	-1.0	-47.97	412.19	8.45	-39.52
CC1=CC=C(OCC2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239506	1	52	-1.0	-47.98	412.25	8.46	-39.52
CC1=CC=C(OCC2=CC=CC=C2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239507	0	49	-1.0	-63.14	398.50	7.57	-55.57
CC1=CC=C(OCC2=CC=CC=C2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239507	1	49	-1.0	-63.14	398.56	7.58	-55.56
CC1=CC=C(OCC2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239508	0	49	-1.0	-49.42	399.90	7.62	-41.80
CC1=CC=C(OCC2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239508	1	49	-1.0	-49.40	399.97	7.63	-41.77
CC1=CC=CC(CC2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)=C1	REAL300020239509	0	47	-1.0	-48.42	395.13	8.17	-40.25
CC1=CC=CC(CC2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)=C1	REAL300020239509	1	47	-1.0	-48.37	395.07	8.15	-40.22
CC1=CC=CC(CC2=CN=C(NC(=O)N3CCCC3C3=NN=N[N-]3)S2)=C1	REAL300020239510	0	44	-1.0	-59.99	379.70	7.27	-52.72
CC1=CC=CC(CC2=CN=C(NC(=O)N3CCCC3C3=N[N-]N=N3)S2)=C1	REAL300020239510	1	44	-1.0	-59.98	379.64	7.24	-52.74
CC1=CC=CC(CC2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)S2)=C1	REAL300020239511	0	44	-1.0	-48.71	381.18	7.32	-41.39
CC1=CC=CC(CC2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)S2)=C1	REAL300020239511	1	44	-1.0	-48.74	381.11	7.31	-41.43
CC1=CC=CC(CC2=CN=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)S2)=C1	REAL300020239512	0	50	-1.0	-55.51	403.38	9.03	-46.48
CC1=CC=CC(CC2=CN=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)S2)=C1	REAL300020239512	1	50	-1.0	-55.48	403.32	9.02	-46.46
CCC1=CON=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239513	0	37	-1.0	-47.47	323.58	4.82	-42.65
CCC1=CON=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239513	1	37	-1.0	-47.42	323.52	4.80	-42.62
CCC1=CON=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020239514	0	37	-1.0	-53.62	332.56	3.40	-50.22
CCC1=CON=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020239514	1	37	-1.0	-53.68	332.50	3.38	-50.30
CCC1=CON=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239515	0	40	-1.0	-57.83	312.87	5.20	-52.63
CCC1=CON=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239515	1	40	-1.0	-57.84	312.81	5.19	-52.65
O=C(NC1=NOC(C2=CC=CS2)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239516	0	38	-1.0	-41.53	349.43	6.08	-35.45
O=C(NC1=NOC(C2=CC=CS2)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239516	1	38	-1.0	-41.57	349.37	6.06	-35.51
O=C(NC1=NOC(C2=CC=CS2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239517	0	38	-1.0	-43.44	330.24	5.61	-37.83
O=C(NC1=NOC(C2=CC=CS2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239517	1	38	-1.0	-43.45	330.18	5.59	-37.86
O=C(NC1=NOC(C2=CC=CS2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239518	0	35	-1.0	-51.81	314.78	4.68	-47.13
O=C(NC1=NOC(C2=CC=CS2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239518	1	35	-1.0	-51.77	314.72	4.67	-47.10
CSCC[C@H](NC(=O)NC1=NOC(C2=CC=CS2)=C1)C1=NN=N[N-]1	REAL300020239519	0	38	-1.0	-45.49	358.41	4.66	-40.83
CSCC[C@H](NC(=O)NC1=NOC(C2=CC=CS2)=C1)C1=N[N-]N=N1	REAL300020239519	1	38	-1.0	-45.47	358.35	4.64	-40.83
O=C(NC1=NOC(C2=CC=CS2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239520	0	35	-1.0	-42.29	316.26	4.75	-37.54
O=C(NC1=NOC(C2=CC=CS2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239520	1	35	-1.0	-42.27	316.19	4.74	-37.53
O=C(NC1=NOC(C2=CC=CS2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239521	0	41	-1.0	-48.41	338.43	6.47	-41.94
O=C(NC1=NOC(C2=CC=CS2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239521	1	41	-1.0	-48.39	338.39	6.46	-41.93
COC(=O)CCCCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020239522	0	49	-1.0	-48.85	404.53	5.86	-42.99
COC(=O)CCCCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020239522	1	49	-1.0	-48.88	404.58	5.88	-43.00
COC(=O)CCCCC(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020239523	0	46	-1.0	-58.05	389.37	4.89	-53.16
COC(=O)CCCCC(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020239523	1	46	-1.0	-58.07	389.43	4.91	-53.16
COC(=O)CCCCC(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020239524	0	46	-1.0	-47.46	390.83	4.97	-42.49
COC(=O)CCCCC(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020239524	1	46	-1.0	-47.45	390.90	4.97	-42.48
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239525	0	40	-1.0	-54.30	355.32	5.51	-48.79
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239525	1	40	-1.0	-54.27	355.26	5.48	-48.79
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239526	0	40	-1.0	-45.80	333.94	4.95	-40.85
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239526	1	40	-1.0	-45.82	334.00	4.97	-40.85
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239527	0	37	-1.0	-51.94	319.97	4.00	-47.94
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239527	1	37	-1.0	-51.98	320.03	4.02	-47.96
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)C(F)F)C=C1)C1=N[N-]N=N1	REAL300020239528	0	40	-1.0	-47.53	364.14	4.03	-43.50
CSCC[C@H](NC(=O)NC1=CC=C(C(=O)C(F)F)C=C1)C1=NN=N[N-]1	REAL300020239528	1	40	-1.0	-47.56	364.20	4.05	-43.51
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239529	0	37	-1.0	-45.51	321.32	4.07	-41.44
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239529	1	37	-1.0	-45.51	321.39	4.08	-41.43
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239530	0	43	-1.0	-47.67	343.27	5.86	-41.81
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239530	1	43	-1.0	-47.72	343.32	5.87	-41.85
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=C2OCCOC2=C1	REAL300020239531	0	41	-1.0	-44.32	363.80	4.45	-39.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=C2OCCOC2=C1	REAL300020239531	1	41	-1.0	-44.29	363.74	4.42	-39.87
O=C(NC1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239532	0	41	-1.0	-46.09	344.54	3.97	-42.12
O=C(NC1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239532	1	41	-1.0	-46.11	344.59	3.99	-42.12
O=C(NC1=CC(Cl)=C2OCCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239533	0	38	-1.0	-54.91	329.24	3.05	-51.86
O=C(NC1=CC(Cl)=C2OCCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239533	1	38	-1.0	-54.95	329.30	3.07	-51.88
CSCC[C@H](NC(=O)NC1=CC(Cl)=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020239534	0	41	-1.0	-49.91	372.50	3.04	-46.87
CSCC[C@H](NC(=O)NC1=CC(Cl)=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020239534	1	41	-1.0	-49.90	372.56	3.06	-46.84
O=C(NC1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239535	0	38	-1.0	-46.21	330.39	3.13	-43.08
O=C(NC1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239535	1	38	-1.0	-46.24	330.47	3.15	-43.09
O=C(NC1=CC(Cl)=C2OCCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239536	0	44	-1.0	-42.44	359.03	4.15	-38.29
O=C(NC1=CC(Cl)=C2OCCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239536	1	44	-1.0	-42.45	359.07	4.18	-38.27
O=C(NC1=CN(C2CC2(F)F)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239537	0	39	-1.0	-43.77	345.35	4.15	-39.62
O=C(NC1=CN(C2CC2(F)F)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239537	1	39	-1.0	-43.76	345.29	4.12	-39.64
O=C(NC1=CN(C2CC2(F)F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239538	0	39	-1.0	-44.90	326.18	3.69	-41.21
O=C(NC1=CN(C2CC2(F)F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239538	1	39	-1.0	-44.94	326.12	3.67	-41.27
O=C(NC1=CN(C2CC2(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239539	0	36	-1.0	-54.83	310.72	2.78	-52.05
O=C(NC1=CN(C2CC2(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239539	1	36	-1.0	-54.84	310.66	2.75	-52.09
CSCC[C@H](NC(=O)NC1=CN(C2CC2(F)F)N=C1)C1=NN=N[N-]1	REAL300020239540	0	39	-1.0	-48.15	354.33	2.73	-45.42
CSCC[C@H](NC(=O)NC1=CN(C2CC2(F)F)N=C1)C1=N[N-]N=N1	REAL300020239540	1	39	-1.0	-48.18	354.27	2.72	-45.46
O=C(NC1=CN(C2CC2(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239541	0	36	-1.0	-45.31	312.22	2.81	-42.50
O=C(NC1=CN(C2CC2(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239541	1	36	-1.0	-45.30	312.15	2.80	-42.50
O=C(NC1=CN(C2CC2(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239542	0	42	-1.0	-51.55	334.16	4.56	-46.99
O=C(NC1=CN(C2CC2(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239542	1	42	-1.0	-51.53	334.12	4.56	-46.97
COC(=O)C1=CC(F)=C(F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL300020239543	0	38	-1.0	-54.94	352.11	4.84	-50.10
COC(=O)C1=CC(F)=C(F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL300020239543	1	38	-1.0	-54.94	352.17	4.86	-50.08
COC(=O)C1=CC(F)=C(F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020239544	0	38	-1.0	-45.69	353.49	4.89	-40.80
COC(=O)C1=CC(F)=C(F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020239544	1	38	-1.0	-45.70	353.56	4.89	-40.81
COCC1=NOC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020239545	0	36	-2.0	-89.20	327.02	-0.93	-90.13
COCC1=NOC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020239545	1	36	-2.0	-89.15	326.96	-0.95	-90.10
COCC1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020239546	0	36	-2.0	-92.11	310.00	-0.83	-92.94
COCC1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020239546	1	36	-2.0	-92.16	310.05	-0.81	-92.97
COCC1=NOC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020239546	1	37	-1.0	-45.27	311.02	0.47	-44.80
COCC1=NOC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020239546	1	37	-1.0	-45.27	311.07	0.49	-44.78
COCC1=NOC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020239547	0	36	-2.0	-102.39	335.94	-2.28	-104.67
COCC1=NOC([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020239547	1	36	-2.0	-102.40	336.00	-2.26	-104.66
COCC1=NOC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020239547	1	37	-1.0	-47.21	339.19	-0.47	-47.68
COCC1=NOC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020239547	1	37	-1.0	-47.23	339.25	-0.46	-47.69
COCC1=NOC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020239548	0	39	-2.0	-97.84	323.23	-0.41	-98.25
COCC1=NOC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020239548	1	39	-2.0	-97.82	323.29	-0.39	-98.21
COCC1=NOC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020239548	1	40	-1.0	-51.98	319.25	1.01	-50.97
COCC1=NOC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020239548	1	40	-1.0	-51.95	319.30	1.02	-50.93
COCC1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239549	0	42	-1.0	-42.95	360.58	4.82	-38.13
COCC1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239549	1	42	-1.0	-42.95	360.52	4.79	-38.16
COCC1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239550	0	42	-1.0	-42.51	340.29	4.27	-38.24
COCC1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239550	1	42	-1.0	-42.55	340.35	4.29	-38.26
COCC1=C(F)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239551	0	39	-1.0	-49.99	325.26	3.33	-46.66
COCC1=C(F)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239551	1	39	-1.0	-50.02	325.32	3.35	-46.67
COCC1=C(F)C=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020239552	0	42	-1.0	-43.90	368.78	3.29	-40.61
COCC1=C(F)C=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020239552	1	42	-1.0	-43.88	368.84	3.30	-40.58
COCC1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239553	0	39	-1.0	-41.73	326.64	3.38	-38.35
COCC1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239553	1	39	-1.0	-41.76	326.72	3.39	-38.37
COCC1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239554	0	45	-1.0	-50.08	348.89	5.09	-44.99
COCC1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239554	1	45	-1.0	-50.10	348.95	5.10	-45.00
CC(C)NC(=O)CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020239555	0	48	-1.0	-56.59	406.39	2.78	-53.81
CC(C)NC(=O)CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020239555	1	48	-1.0	-56.60	406.33	2.76	-53.84
CC(C)NC(=O)CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020239556	0	48	-1.0	-57.40	387.21	2.32	-55.08
CC(C)NC(=O)CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020239556	1	48	-1.0	-57.38	387.15	2.31	-55.07
CC(C)NC(=O)CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020239557	0	45	-1.0	-72.65	371.75	1.40	-71.25
CC(C)NC(=O)CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020239557	1	45	-1.0	-72.67	371.69	1.39	-71.28
CSCC[C@H](NC(=O)NC1=CN(CC(=O)NC(C)C)N=C1)C1=NN=N[N-]1	REAL300020239558	0	48	-1.0	-62.23	415.38	1.37	-60.86
CSCC[C@H](NC(=O)NC1=CN(CC(=O)NC(C)C)N=C1)C1=N[N-]N=N1	REAL300020239558	1	48	-1.0	-62.22	415.32	1.35	-60.87
CC(C)NC(=O)CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020239559	0	45	-1.0	-59.61	373.24	1.44	-58.17
CC(C)NC(=O)CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020239559	1	45	-1.0	-59.65	373.17	1.43	-58.22
CC(C)NC(=O)CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020239560	0	51	-1.0	-69.56	395.21	3.20	-66.36
CC(C)NC(=O)CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020239560	1	51	-1.0	-69.54	395.16	3.19	-66.35
O=C(NC1=CN(CCN2CCCC2=O)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239561	0	49	-1.0	-49.63	412.91	4.48	-45.15
O=C(NC1=CN(CCN2CCCC2=O)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239561	1	49	-1.0	-49.59	412.86	4.46	-45.13
O=C(NC1=CN(CCN2CCCC2=O)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239562	0	49	-1.0	-50.44	393.73	4.02	-46.42
O=C(NC1=CN(CCN2CCCC2=O)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239562	1	49	-1.0	-50.43	393.67	4.01	-46.42
O=C(NC1=CN(CCN2CCCC2=O)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239563	0	46	-1.0	-62.29	378.28	3.11	-59.18
O=C(NC1=CN(CCN2CCCC2=O)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239563	1	46	-1.0	-62.30	378.22	3.09	-59.21
CSCC[C@H](NC(=O)NC1=CN(CCN2CCCC2=O)N=C1)C1=NN=N[N-]1	REAL300020239564	0	49	-1.0	-54.07	421.90	3.08	-50.99
CSCC[C@H](NC(=O)NC1=CN(CCN2CCCC2=O)N=C1)C1=N[N-]N=N1	REAL300020239564	1	49	-1.0	-54.06	421.84	3.06	-51.00
O=C(NC1=CN(CCN2CCCC2=O)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239565	0	46	-1.0	-51.51	379.76	3.15	-48.36
O=C(NC1=CN(CCN2CCCC2=O)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239565	1	46	-1.0	-51.47	379.69	3.14	-48.33
O=C(NC1=CN(CCN2CCCC2=O)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239566	0	52	-1.0	-58.58	401.71	4.90	-53.68
O=C(NC1=CN(CCN2CCCC2=O)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239566	1	52	-1.0	-58.53	401.68	4.89	-53.64
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(OC)=C1C	REAL300020239567	0	48	-1.0	-42.74	403.19	5.18	-37.56
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(OC)=C1C	REAL300020239567	1	48	-1.0	-42.77	403.24	5.19	-37.58
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)SC(OC)=C1C	REAL300020239568	0	45	-1.0	-49.61	387.75	4.26	-45.35
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)SC(OC)=C1C	REAL300020239568	1	45	-1.0	-49.57	387.81	4.28	-45.29
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(OC)=C1C	REAL300020239569	0	45	-1.0	-42.08	389.22	4.31	-37.77
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(OC)=C1C	REAL300020239569	1	45	-1.0	-42.08	389.29	4.33	-37.75
O=C(NC1=CC2=CC=NC=C2C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239570	0	40	-1.0	-45.30	343.87	5.34	-39.96
O=C(NC1=CC2=CC=NC=C2C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239570	1	40	-1.0	-45.28	343.81	5.31	-39.97
O=C(NC1=CC2=CC=NC=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239571	0	40	-1.0	-44.72	324.92	4.83	-39.89
O=C(NC1=CC2=CC=NC=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239571	1	40	-1.0	-44.69	324.98	4.84	-39.85
O=C(NC1=CC2=CC=NC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239572	0	37	-1.0	-52.91	309.87	3.86	-49.05
O=C(NC1=CC2=CC=NC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239572	1	37	-1.0	-52.93	309.93	3.88	-49.05
CSCC[C@H](NC(=O)NC1=CC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL300020239573	0	40	-1.0	-49.10	353.39	3.83	-45.27
CSCC[C@H](NC(=O)NC1=CC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL300020239573	1	40	-1.0	-49.11	353.45	3.85	-45.26
O=C(NC1=CC2=CC=NC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239574	0	37	-1.0	-44.67	311.18	3.93	-40.74
O=C(NC1=CC2=CC=NC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239574	1	37	-1.0	-44.63	311.26	3.94	-40.69
O=C(NC1=CC2=CC=NC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239575	0	43	-1.0	-48.88	333.26	5.70	-43.18
O=C(NC1=CC2=CC=NC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239575	1	43	-1.0	-48.87	333.20	5.68	-43.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C2C=COC2=CC=N1	REAL300020239576	0	37	-1.0	-59.57	326.44	4.85	-54.72
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C2C=COC2=CC=N1	REAL300020239576	1	37	-1.0	-59.62	326.38	4.82	-54.80
O=C(NC1=C2C=COC2=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239577	0	37	-1.0	-49.02	307.27	4.39	-44.63
O=C(NC1=C2C=COC2=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239577	1	37	-1.0	-49.00	307.21	4.38	-44.62
CSCC[C@H](NC(=O)NC1=C2C=COC2=CC=N1)C1=NN=N[N-]1	REAL300020239578	0	37	-1.0	-52.68	335.42	3.42	-49.26
CSCC[C@H](NC(=O)NC1=C2C=COC2=CC=N1)C1=N[N-]N=N1	REAL300020239578	1	37	-1.0	-52.68	335.36	3.41	-49.27
O=C(NC1=C2C=COC2=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239579	0	40	-1.0	-55.54	315.47	5.25	-50.29
O=C(NC1=C2C=COC2=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239579	1	40	-1.0	-55.52	315.42	5.24	-50.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2OCCNC(=O)C2=C1	REAL300020239580	0	44	-1.0	-54.09	371.58	2.00	-52.09
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2OCCNC(=O)C2=C1	REAL300020239580	1	44	-1.0	-54.05	371.52	1.98	-52.07
O=C(NC1=CC=C2OCCNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239581	0	44	-1.0	-48.07	352.57	1.47	-46.60
O=C(NC1=CC=C2OCCNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239581	1	44	-1.0	-48.06	352.63	1.49	-46.57
O=C(NC1=CC=C2OCCNC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239582	0	41	-1.0	-68.48	337.20	0.58	-67.90
O=C(NC1=CC=C2OCCNC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239582	1	41	-1.0	-68.45	337.25	0.60	-67.85
CSCC[C@H](NC(=O)NC1=CC=C2OCCNC(=O)C2=C1)C1=N[N-]N=N1	REAL300020239583	0	44	-1.0	-59.84	380.69	0.54	-59.30
CSCC[C@H](NC(=O)NC1=CC=C2OCCNC(=O)C2=C1)C1=NN=N[N-]1	REAL300020239583	1	44	-1.0	-59.85	380.75	0.56	-59.29
O=C(NC1=CC=C2OCCNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239584	0	41	-1.0	-58.13	338.55	0.64	-57.49
O=C(NC1=CC=C2OCCNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239584	1	41	-1.0	-58.09	338.62	0.65	-57.44
O=C(NC1=CC=C2OCCNC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239585	0	47	-1.0	-45.22	364.89	1.64	-43.58
O=C(NC1=CC=C2OCCNC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239585	1	47	-1.0	-45.24	364.90	1.66	-43.58
CC(=O)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239586	0	40	-1.0	-46.21	340.63	5.72	-40.49
CC(=O)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239586	1	40	-1.0	-46.19	340.57	5.70	-40.49
CC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239587	0	40	-1.0	-46.46	318.92	5.13	-41.33
CC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239587	1	40	-1.0	-46.48	318.97	5.15	-41.33
CC(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239588	0	37	-1.0	-57.81	305.61	4.27	-53.54
CC(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239588	1	37	-1.0	-57.82	305.66	4.30	-53.52
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(C)=O)C1=N[N-]N=N1	REAL300020239589	0	40	-1.0	-51.77	349.28	4.21	-47.56
CSCC[C@H](NC(=O)NC1=CC=CC=C1C(C)=O)C1=NN=N[N-]1	REAL300020239589	1	40	-1.0	-51.78	349.34	4.23	-47.55
CC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239590	0	37	-1.0	-46.98	305.98	4.32	-42.66
CC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239590	1	37	-1.0	-47.04	306.05	4.33	-42.71
CC(=O)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239591	0	43	-1.0	-48.58	329.94	5.47	-43.11
CC(=O)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239591	1	43	-1.0	-48.60	330.01	5.49	-43.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C2=CNN=C21	REAL300020239592	0	38	-1.0	-50.32	345.47	4.05	-46.27
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C2=CNN=C21	REAL300020239592	1	38	-1.0	-50.31	345.41	4.02	-46.29
O=C(NC1=CC=C(Cl)C2=CNN=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239593	0	38	-1.0	-45.32	326.04	3.55	-41.77
O=C(NC1=CC=C(Cl)C2=CNN=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239593	1	38	-1.0	-45.33	326.10	3.57	-41.76
O=C(NC1=CC=C(Cl)C2=CNN=C21)N1CCCC1C1=N[N-]N=N1	REAL300020239594	0	35	-1.0	-56.02	311.82	2.64	-53.38
O=C(NC1=CC=C(Cl)C2=CNN=C21)N1CCCC1C1=NN=N[N-]1	REAL300020239594	1	35	-1.0	-55.96	311.88	2.67	-53.29
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C2=CNN=C21)C1=N[N-]N=N1	REAL300020239595	0	38	-1.0	-49.23	355.36	2.61	-46.62
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C2=CNN=C21)C1=NN=N[N-]1	REAL300020239595	1	38	-1.0	-49.24	355.42	2.63	-46.61
O=C(NC1=CC=C(Cl)C2=CNN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020239596	0	35	-1.0	-45.76	313.19	2.70	-43.06
O=C(NC1=CC=C(Cl)C2=CNN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020239596	1	35	-1.0	-45.74	313.27	2.71	-43.03
O=C(NC1=CC=C(Cl)C2=CNN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020239597	0	41	-1.0	-52.34	335.11	4.54	-47.80
O=C(NC1=CC=C(Cl)C2=CNN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020239597	1	41	-1.0	-52.32	335.16	4.55	-47.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)N=C1Br	REAL300020239598	0	34	-1.0	-39.05	322.35	3.59	-35.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)N=C1Br	REAL300020239598	1	34	-1.0	-39.04	322.29	3.57	-35.47
O=C(NC1=CC=C(F)N=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239599	0	34	-1.0	-40.23	302.47	3.11	-37.12
O=C(NC1=CC=C(F)N=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239599	1	34	-1.0	-40.21	302.41	3.09	-37.12
O=C(NC1=CC=C(F)N=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020239600	0	31	-1.0	-45.92	289.14	2.25	-43.67
O=C(NC1=CC=C(F)N=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020239600	1	31	-1.0	-45.92	289.08	2.23	-43.69
CSCC[C@H](NC(=O)NC1=CC=C(F)N=C1Br)C1=NN=N[N-]1	REAL300020239601	0	34	-1.0	-40.64	332.67	2.20	-38.44
CSCC[C@H](NC(=O)NC1=CC=C(F)N=C1Br)C1=N[N-]N=N1	REAL300020239601	1	34	-1.0	-40.60	332.61	2.19	-38.41
O=C(NC1=CC=C(F)N=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020239602	0	31	-1.0	-39.77	290.52	2.30	-37.47
O=C(NC1=CC=C(F)N=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020239602	1	31	-1.0	-39.81	290.45	2.28	-37.53
O=C(NC1=CC=C(F)N=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020239603	0	37	-1.0	-41.84	310.30	3.97	-37.87
O=C(NC1=CC=C(F)N=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020239603	1	37	-1.0	-41.81	310.26	3.96	-37.85
O=C(NC1=CC=C(Br)C2=C1CCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239604	0	40	-1.0	-43.23	339.36	4.77	-38.46
O=C(NC1=CC=C(Br)C2=C1CCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239604	1	40	-1.0	-43.30	339.41	4.79	-38.51
O=C(NC1=CC=C(Br)C2=C1CCO2)N1CCCC1C1=N[N-]N=N1	REAL300020239605	0	37	-1.0	-51.71	324.71	3.84	-47.87
O=C(NC1=CC=C(Br)C2=C1CCO2)N1CCCC1C1=NN=N[N-]1	REAL300020239605	1	37	-1.0	-51.71	324.76	3.86	-47.85
O=C(NC1=CC=C(Br)C2=C1CCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020239606	0	37	-1.0	-43.68	326.09	3.89	-39.79
O=C(NC1=CC=C(Br)C2=C1CCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020239606	1	37	-1.0	-43.66	326.16	3.90	-39.76
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1N1CCCCC1=O	REAL300020239607	0	53	-1.0	-51.46	415.46	5.60	-45.86
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1N1CCCCC1=O	REAL300020239607	1	53	-1.0	-51.45	415.51	5.62	-45.83
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1N1CCCCC1=O	REAL300020239608	0	50	-1.0	-63.42	399.90	4.72	-58.70
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1N1CCCCC1=O	REAL300020239608	1	50	-1.0	-63.43	399.96	4.73	-58.70
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1CCCCC1=O	REAL300020239609	0	50	-1.0	-52.48	401.54	4.75	-47.73
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCCCC1=O	REAL300020239609	1	50	-1.0	-52.51	401.62	4.75	-47.76
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239610	0	48	-1.0	-46.88	386.98	5.51	-41.37
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239610	1	48	-1.0	-46.83	386.92	5.50	-41.33
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239611	0	45	-1.0	-57.64	373.68	4.67	-52.97
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239611	1	45	-1.0	-57.63	373.62	4.67	-52.96
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=N2)C=C1C)C1=NN=N[N-]1	REAL300020239612	0	48	-1.0	-51.55	417.37	4.64	-46.91
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=N2)C=C1C)C1=N[N-]N=N1	REAL300020239612	1	48	-1.0	-51.56	417.31	4.63	-46.93
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239613	0	45	-1.0	-48.44	374.23	4.69	-43.75
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239613	1	45	-1.0	-48.43	374.16	4.68	-43.75
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239614	0	51	-1.0	-45.89	401.51	5.96	-39.93
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239614	1	51	-1.0	-45.91	401.47	5.94	-39.97
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2CC2(F)F)=C1	REAL300020239615	0	42	-1.0	-53.88	363.28	7.00	-46.88
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2CC2(F)F)=C1	REAL300020239615	1	42	-1.0	-53.88	363.23	6.97	-46.91
O=C(NC1=CC=CC(C2CC2(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239616	0	42	-1.0	-45.25	344.00	6.45	-38.80
O=C(NC1=CC=CC(C2CC2(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239616	1	42	-1.0	-45.25	344.06	6.47	-38.78
O=C(NC1=CC=CC(C2CC2(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239617	0	39	-1.0	-56.54	328.85	5.54	-51.00
O=C(NC1=CC=CC(C2CC2(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239617	1	39	-1.0	-56.53	328.90	5.56	-50.97
CSCC[C@H](NC(=O)NC1=CC=CC(C2CC2(F)F)=C1)C1=N[N-]N=N1	REAL300020239618	0	42	-1.0	-49.55	372.37	5.50	-44.05
CSCC[C@H](NC(=O)NC1=CC=CC(C2CC2(F)F)=C1)C1=NN=N[N-]1	REAL300020239618	1	42	-1.0	-49.58	372.43	5.52	-44.06
O=C(NC1=CC=CC(C2CC2(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239619	0	39	-1.0	-46.10	330.23	5.60	-40.50
O=C(NC1=CC=CC(C2CC2(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239619	1	39	-1.0	-46.11	330.30	5.61	-40.50
O=C(NC1=CC=CC(C2CC2(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239620	0	45	-1.0	-48.42	358.73	6.49	-41.93
O=C(NC1=CC=CC(C2CC2(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239620	1	45	-1.0	-48.41	358.78	6.50	-41.91
COC(=O)C1=CC(F)=C(OC)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020239621	0	45	-1.0	-45.93	376.08	4.57	-41.36
COC(=O)C1=CC(F)=C(OC)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020239621	1	45	-1.0	-45.97	376.14	4.58	-41.39
COC(=O)C1=CC(F)=C(OC)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020239622	0	42	-1.0	-58.32	362.18	3.62	-54.70
COC(=O)C1=CC(F)=C(OC)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020239622	1	42	-1.0	-58.31	362.23	3.65	-54.66
COC(=O)C1=CC(F)=C(OC)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020239623	0	45	-1.0	-50.98	405.71	3.62	-47.36
COC(=O)C1=CC(F)=C(OC)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020239623	1	45	-1.0	-50.98	405.77	3.63	-47.35
COC(=O)C1=CC(F)=C(OC)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020239624	0	42	-1.0	-45.55	363.57	3.68	-41.87
COC(=O)C1=CC(F)=C(OC)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020239624	1	42	-1.0	-45.60	363.65	3.70	-41.90
COC(=O)C1=CC(F)=C(OC)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020239625	0	48	-1.0	-54.33	384.20	5.55	-48.78
COC(=O)C1=CC(F)=C(OC)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020239625	1	48	-1.0	-54.36	384.26	5.57	-48.79
CC(C)N1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020239626	0	40	-1.0	-42.13	339.69	3.64	-38.49
CC(C)N1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020239626	1	40	-1.0	-42.18	339.63	3.62	-38.56
CC(C)N1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020239627	0	40	-1.0	-43.84	320.48	3.17	-40.67
CC(C)N1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=N1	REAL300020239627	1	40	-1.0	-43.79	320.42	3.15	-40.64
CSCC[C@H](NC(=O)NC1=CN(C(C)C)N=N1)C1=NN=N[N-]1	REAL300020239628	0	40	-1.0	-44.56	348.66	2.23	-42.33
CSCC[C@H](NC(=O)NC1=CN(C(C)C)N=N1)C1=N[N-]N=N1	REAL300020239628	1	40	-1.0	-44.59	348.61	2.21	-42.38
CC(C)N1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020239629	0	43	-1.0	-46.10	328.66	4.04	-42.06
CC(C)N1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020239629	1	43	-1.0	-46.14	328.62	4.03	-42.11
CCN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020239630	0	37	-1.0	-47.01	320.83	3.11	-43.90
CCN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020239630	1	37	-1.0	-47.02	320.78	3.09	-43.93
CCN1C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1	REAL300020239631	0	37	-1.0	-44.59	329.80	1.70	-42.89
CCN1C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1	REAL300020239631	1	37	-1.0	-44.56	329.74	1.68	-42.88
CCN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020239632	0	40	-1.0	-45.86	309.79	3.51	-42.35
CCN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020239632	1	40	-1.0	-45.82	309.75	3.50	-42.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(Cl)=C2OCOC2=C1	REAL300020239633	0	38	-1.0	-43.18	345.68	4.02	-39.16
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(Cl)=C2OCOC2=C1	REAL300020239633	1	38	-1.0	-43.13	345.62	3.99	-39.14
O=C(NC1=CC(Cl)=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239634	0	38	-1.0	-44.81	327.00	3.44	-41.37
O=C(NC1=CC(Cl)=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239634	1	38	-1.0	-44.85	327.06	3.45	-41.40
O=C(NC1=CC(Cl)=C2OCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239635	0	35	-1.0	-53.72	311.63	2.53	-51.19
O=C(NC1=CC(Cl)=C2OCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239635	1	35	-1.0	-53.69	311.69	2.55	-51.14
CSCC[C@H](NC(=O)NC1=CC(Cl)=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020239636	0	38	-1.0	-47.19	355.14	2.49	-44.70
CSCC[C@H](NC(=O)NC1=CC(Cl)=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020239636	1	38	-1.0	-47.22	355.20	2.51	-44.71
O=C(NC1=CC(Cl)=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239637	0	35	-1.0	-44.83	312.68	2.62	-42.21
O=C(NC1=CC(Cl)=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239637	1	35	-1.0	-44.83	312.75	2.63	-42.20
O=C(NC1=CC(Cl)=C2OCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239638	0	41	-1.0	-39.81	339.39	3.63	-36.18
O=C(NC1=CC(Cl)=C2OCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239638	1	41	-1.0	-39.86	339.44	3.63	-36.23
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020239639	0	38	-1.0	-55.95	339.74	4.51	-51.44
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020239639	1	38	-1.0	-55.92	339.80	4.52	-51.40
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020239640	0	38	-1.0	-48.16	341.11	4.56	-43.60
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020239640	1	38	-1.0	-48.15	341.18	4.57	-43.58
O=C(NC1=NC2=C(OC(F)(F)F)C=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020239641	0	38	-1.0	-50.40	346.22	3.75	-46.65
O=C(NC1=NC2=C(OC(F)(F)F)C=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020239641	1	38	-1.0	-50.44	346.16	3.73	-46.71
O=C([N-]C1=NC2=C(OC(F)(F)F)C=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020239641	1	37	-2.0	-109.99	344.75	2.71	-107.28
O=C([N-]C1=NC2=C(OC(F)(F)F)C=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020239641	1	37	-2.0	-109.96	344.81	2.73	-107.23
O=C(NC1=NC2=C(OC(F)(F)F)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239642	0	38	-1.0	-42.47	347.68	3.81	-38.66
O=C(NC1=NC2=C(OC(F)(F)F)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239642	1	38	-1.0	-42.46	347.61	3.80	-38.66
O=C([N-]C1=NC2=C(OC(F)(F)F)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239642	1	37	-2.0	-90.48	345.58	2.76	-87.72
O=C([N-]C1=NC2=C(OC(F)(F)F)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239642	1	37	-2.0	-90.47	345.50	2.74	-87.73
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN=C1C	REAL300020239643	0	43	-1.0	-54.43	369.26	4.16	-50.27
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN=C1C	REAL300020239643	1	43	-1.0	-54.49	369.21	4.14	-50.35
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN=C1C	REAL300020239644	0	43	-1.0	-45.05	350.29	3.67	-41.38
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1C	REAL300020239644	1	43	-1.0	-45.08	350.35	3.68	-41.40
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN=C1C	REAL300020239645	0	40	-1.0	-52.83	335.07	2.75	-50.08
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN=C1C	REAL300020239645	1	40	-1.0	-52.82	335.13	2.77	-50.05
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CN=C1C	REAL300020239646	0	43	-1.0	-46.57	378.62	2.70	-43.87
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CN=C1C	REAL300020239646	1	43	-1.0	-46.60	378.68	2.71	-43.89
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1C	REAL300020239647	0	40	-1.0	-45.08	335.80	2.83	-42.25
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1C	REAL300020239647	1	40	-1.0	-45.13	335.87	2.85	-42.28
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1C	REAL300020239648	0	46	-1.0	-49.69	358.20	4.55	-45.14
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1C	REAL300020239648	1	46	-1.0	-49.66	358.25	4.55	-45.11
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OCC)=C1	REAL300020239649	0	49	-1.0	-48.00	403.91	5.35	-42.65
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OCC)=C1	REAL300020239649	1	49	-1.0	-48.03	403.86	5.33	-42.70
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OCC)=C1	REAL300020239650	0	49	-1.0	-43.56	385.13	4.86	-38.70
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OCC)=C1	REAL300020239650	1	49	-1.0	-43.50	385.19	4.88	-38.62
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(OCC)=C1	REAL300020239651	0	46	-1.0	-53.12	369.70	3.95	-49.17
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(OCC)=C1	REAL300020239651	1	46	-1.0	-53.13	369.76	3.97	-49.16
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OCC)=C1	REAL300020239652	0	49	-1.0	-46.72	413.22	3.90	-42.82
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OCC)=C1	REAL300020239652	1	49	-1.0	-46.77	413.28	3.92	-42.85
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCC)=C1	REAL300020239653	0	46	-1.0	-43.43	371.88	3.99	-39.44
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCC)=C1	REAL300020239653	1	46	-1.0	-43.46	371.95	4.00	-39.46
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OCC)=C1	REAL300020239654	0	52	-1.0	-44.20	397.37	5.11	-39.09
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OCC)=C1	REAL300020239654	1	52	-1.0	-44.17	397.43	5.11	-39.06
CCC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CN=C2C=C1	REAL300020239655	0	46	-1.0	-43.01	377.52	6.59	-36.42
CCC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CN=C2C=C1	REAL300020239655	1	46	-1.0	-43.05	377.47	6.57	-36.48
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CN=C2C=C1	REAL300020239656	0	46	-1.0	-45.96	361.45	6.12	-39.84
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CN=C2C=C1	REAL300020239656	1	46	-1.0	-45.91	361.39	6.10	-39.81
CCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL300020239657	0	43	-1.0	-53.53	339.97	4.90	-48.63
CCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL300020239657	1	43	-1.0	-53.54	339.91	4.89	-48.65
CCC1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL300020239658	0	46	-1.0	-48.53	389.24	5.06	-43.47
CCC1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL300020239658	1	46	-1.0	-48.54	389.18	5.04	-43.50
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CN=C2C=C1	REAL300020239659	0	43	-1.0	-45.98	346.74	5.12	-40.86
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CN=C2C=C1	REAL300020239659	1	43	-1.0	-45.93	346.67	5.10	-40.83
CCC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL300020239660	0	49	-1.0	-50.77	361.83	6.12	-44.65
CCC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL300020239660	1	49	-1.0	-50.68	361.79	6.11	-44.57
O=C(NC1=CC=C(OCC2=CN=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239661	0	47	-1.0	-47.82	383.08	3.98	-43.84
O=C(NC1=CC=C(OCC2=CN=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239661	1	47	-1.0	-47.82	383.13	3.99	-43.83
O=C(NC1=CC=C(OCC2=CN=CC=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239662	0	44	-1.0	-56.93	367.57	3.06	-53.87
O=C(NC1=CC=C(OCC2=CN=CC=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239662	1	44	-1.0	-56.94	367.63	3.08	-53.86
O=C(NC1=CC=C(OCC2=CN=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239663	0	44	-1.0	-48.00	368.95	3.11	-44.89
O=C(NC1=CC=C(OCC2=CN=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239663	1	44	-1.0	-48.01	369.03	3.12	-44.89
O=C(NC1=CC=C(OCC2=CN=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239664	0	50	-1.0	-44.19	395.43	4.16	-40.03
O=C(NC1=CC=C(OCC2=CN=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239664	1	50	-1.0	-44.15	395.46	4.16	-39.99
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2OCC(=O)NC2=N1	REAL300020239665	0	40	-1.0	-53.40	349.92	2.60	-50.80
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2OCC(=O)NC2=N1	REAL300020239665	1	40	-1.0	-53.44	349.86	2.58	-50.86
O=C(NC1=CC=C2OCC(=O)NC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239666	0	40	-1.0	-44.73	328.27	1.49	-43.24
O=C(NC1=CC=C2OCC(=O)NC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239666	1	40	-1.0	-44.67	328.22	1.47	-43.20
O=C(NC1=CC=C2OCC(=O)NC2=N1)N1CCCC1C1=NN=N[N-]1	REAL300020239667	0	37	-1.0	-64.16	315.63	1.19	-62.97
O=C(NC1=CC=C2OCC(=O)NC2=N1)N1CCCC1C1=N[N-]N=N1	REAL300020239667	1	37	-1.0	-64.16	315.57	1.17	-62.99
CSCC[C@H](NC(=O)NC1=CC=C2OCC(=O)NC2=N1)C1=NN=N[N-]1	REAL300020239668	0	40	-1.0	-56.73	359.16	1.14	-55.59
CSCC[C@H](NC(=O)NC1=CC=C2OCC(=O)NC2=N1)C1=N[N-]N=N1	REAL300020239668	1	40	-1.0	-56.74	359.10	1.12	-55.62
O=C(NC1=CC=C2OCC(=O)NC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239669	0	37	-1.0	-53.76	317.01	1.23	-52.53
O=C(NC1=CC=C2OCC(=O)NC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239669	1	37	-1.0	-53.79	316.94	1.22	-52.57
O=C(NC1=CC=C2OCC(=O)NC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239670	0	43	-1.0	-44.32	343.94	1.69	-42.63
O=C(NC1=CC=C2OCC(=O)NC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239670	1	43	-1.0	-44.35	343.89	1.68	-42.67
O=C(NC1=CN(CCN2CCOC2=O)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239671	0	47	-1.0	-57.37	403.14	3.57	-53.80
O=C(NC1=CN(CCN2CCOC2=O)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239671	1	47	-1.0	-57.38	403.08	3.54	-53.84
O=C(NC1=CN(CCN2CCOC2=O)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239672	0	47	-1.0	-59.48	383.97	3.05	-56.43
O=C(NC1=CN(CCN2CCOC2=O)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239672	1	47	-1.0	-59.54	383.91	3.04	-56.50
O=C(NC1=CN(CCN2CCOC2=O)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239673	0	44	-1.0	-70.51	368.53	2.15	-68.36
O=C(NC1=CN(CCN2CCOC2=O)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239673	1	44	-1.0	-70.52	368.47	2.14	-68.38
CSCC[C@H](NC(=O)NC1=CN(CCN2CCOC2=O)N=C1)C1=NN=N[N-]1	REAL300020239674	0	47	-1.0	-63.87	412.15	2.12	-61.75
CSCC[C@H](NC(=O)NC1=CN(CCN2CCOC2=O)N=C1)C1=N[N-]N=N1	REAL300020239674	1	47	-1.0	-63.88	412.09	2.10	-61.78
O=C(NC1=CN(CCN2CCOC2=O)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239675	0	44	-1.0	-60.05	370.01	2.19	-57.86
O=C(NC1=CN(CCN2CCOC2=O)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239675	1	44	-1.0	-60.05	369.94	2.17	-57.88
O=C(NC1=CN(CCN2CCOC2=O)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239676	0	50	-1.0	-66.17	391.98	3.95	-62.22
O=C(NC1=CN(CCN2CCOC2=O)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239676	1	50	-1.0	-66.18	391.93	3.94	-62.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C1CCC1)C(F)(F)F	REAL300020239677	0	41	-1.0	-52.37	351.65	5.01	-47.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C1CCC1)C(F)(F)F	REAL300020239677	1	41	-1.0	-52.38	351.71	5.03	-47.35
O=C(NC(C1CCC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239678	0	41	-1.0	-43.59	332.89	4.56	-39.03
O=C(NC(C1CCC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239678	1	41	-1.0	-43.59	332.95	4.58	-39.01
O=C(NC(C1CCC1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020239679	0	38	-1.0	-54.26	317.27	3.71	-50.55
O=C(NC(C1CCC1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020239679	1	38	-1.0	-54.30	317.33	3.73	-50.57
CSCC[C@H](NC(=O)NC(C1CCC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020239680	0	41	-1.0	-47.82	360.85	3.69	-44.13
CSCC[C@H](NC(=O)NC(C1CCC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020239680	1	41	-1.0	-47.85	360.91	3.70	-44.15
O=C(NC(C1CCC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020239681	0	38	-1.0	-42.79	318.72	3.78	-39.01
O=C(NC(C1CCC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020239681	1	38	-1.0	-42.81	318.80	3.80	-39.01
O=C(NC(C1CCC1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020239682	0	44	-1.0	-47.39	338.86	5.30	-42.09
O=C(NC(C1CCC1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020239682	1	44	-1.0	-47.45	338.91	5.31	-42.14
CCC(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020239683	0	37	-1.0	-41.60	325.59	3.92	-37.68
CCC(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020239683	1	37	-1.0	-41.59	325.53	3.90	-37.69
CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020239684	0	37	-1.0	-44.27	306.07	3.49	-40.78
CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020239684	1	37	-1.0	-44.30	306.13	3.51	-40.79
CCC(NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(F)(F)F	REAL300020239685	0	37	-1.0	-47.97	334.51	2.48	-45.49
CCC(NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(F)(F)F	REAL300020239685	1	37	-1.0	-47.96	334.57	2.50	-45.46
CCC(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020239686	0	40	-1.0	-46.89	314.54	4.34	-42.55
CCC(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020239686	1	40	-1.0	-46.91	314.59	4.36	-42.55
CC(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020239687	0	38	-2.0	-84.90	343.48	3.11	-81.79
CC(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020239687	1	38	-2.0	-84.90	343.42	3.08	-81.82
CC(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020239688	0	38	-2.0	-87.50	326.43	2.96	-84.54
CC(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020239688	1	38	-2.0	-87.49	326.49	2.98	-84.51
CC(C)C1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020239689	0	35	-2.0	-107.47	310.65	1.85	-105.62
CC(C)C1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020239689	1	35	-2.0	-107.48	310.70	1.87	-105.61
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)C)=NS1)C1=N[N-]N=N1	REAL300020239690	0	38	-2.0	-97.90	352.41	1.68	-96.22
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)C)=NS1)C1=NN=N[N-]1	REAL300020239690	1	38	-2.0	-97.88	352.47	1.69	-96.19
CC(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020239691	0	35	-2.0	-87.38	311.39	1.90	-85.48
CC(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020239691	1	35	-2.0	-87.39	311.46	1.91	-85.48
CC(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020239692	0	41	-2.0	-105.84	335.06	3.96	-101.88
CC(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020239692	1	41	-2.0	-105.81	335.10	3.97	-101.84
CCN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(N)=O)=N1	REAL300020239693	0	42	-1.0	-44.44	361.50	0.40	-44.04
CCN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(N)=O)=N1	REAL300020239693	1	42	-1.0	-44.40	361.44	0.38	-44.02
CCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(N)=O)=N1	REAL300020239694	0	42	-1.0	-45.87	342.30	-0.08	-45.95
CCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(N)=O)=N1	REAL300020239694	1	42	-1.0	-45.84	342.24	-0.10	-45.94
CCN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(N)=O)=N1	REAL300020239695	0	39	-1.0	-52.79	326.87	-0.97	-53.76
CCN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(N)=O)=N1	REAL300020239695	1	39	-1.0	-52.81	326.81	-0.99	-53.80
CCN1C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C(N)=O)=N1	REAL300020239696	0	42	-1.0	-47.52	370.48	-1.01	-48.53
CCN1C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C(N)=O)=N1	REAL300020239696	1	42	-1.0	-47.52	370.43	-1.03	-48.55
CCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(N)=O)=N1	REAL300020239697	0	39	-1.0	-44.06	328.36	-0.95	-45.01
CCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(N)=O)=N1	REAL300020239697	1	39	-1.0	-43.98	328.29	-0.96	-44.94
CCN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(N)=O)=N1	REAL300020239698	0	45	-1.0	-49.41	350.87	0.90	-48.51
CCN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(N)=O)=N1	REAL300020239698	1	45	-1.0	-49.35	350.82	0.91	-48.44
CCOC(=O)C1=NN(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020239699	0	47	-1.0	-44.24	400.23	5.20	-39.04
CCOC(=O)C1=NN(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020239699	1	47	-1.0	-44.25	400.17	5.18	-39.07
CCOC(=O)C1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020239700	0	47	-1.0	-43.79	380.41	4.73	-39.06
CCOC(=O)C1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020239700	1	47	-1.0	-43.75	380.36	4.72	-39.03
CCOC(=O)C1=NN(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020239701	0	44	-1.0	-50.64	361.84	3.78	-46.86
CCOC(=O)C1=NN(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020239701	1	44	-1.0	-50.62	361.79	3.75	-46.87
CCOC(=O)C1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020239702	0	47	-1.0	-47.60	409.43	3.74	-43.86
CCOC(=O)C1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020239702	1	47	-1.0	-47.62	409.38	3.72	-43.90
CCOC(=O)C1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020239703	0	44	-1.0	-42.62	363.19	3.81	-38.81
CCOC(=O)C1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020239703	1	44	-1.0	-42.58	363.11	3.79	-38.79
CCOC(=O)C1=NN(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020239704	0	50	-1.0	-47.38	390.88	5.32	-42.06
CCOC(=O)C1=NN(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020239704	1	50	-1.0	-47.32	390.91	5.30	-42.02
CC(C)CC1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020239705	0	41	-2.0	-84.74	362.39	3.94	-80.80
CC(C)CC1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020239705	1	41	-2.0	-84.71	362.45	3.96	-80.75
CC(C)CC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020239706	0	41	-2.0	-87.56	345.43	3.72	-83.84
CC(C)CC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020239706	1	41	-2.0	-87.55	345.49	3.74	-83.81
CC(C)CC1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020239707	0	38	-2.0	-107.78	329.61	2.69	-105.09
CC(C)CC1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020239707	1	38	-2.0	-107.79	329.67	2.72	-105.07
CSCC[C@H](NC(=O)[N-]C1=NC(CC(C)C)=NS1)C1=N[N-]N=N1	REAL300020239708	0	41	-2.0	-98.17	371.41	2.42	-95.75
CSCC[C@H](NC(=O)[N-]C1=NC(CC(C)C)=NS1)C1=NN=N[N-]1	REAL300020239708	1	41	-2.0	-98.14	371.47	2.44	-95.70
CC(C)CC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020239709	0	38	-2.0	-87.34	330.38	2.73	-84.61
CC(C)CC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020239709	1	38	-2.0	-87.36	330.46	2.75	-84.61
CC(C)CC1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020239710	0	44	-2.0	-105.80	354.06	4.79	-101.01
CC(C)CC1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020239710	1	44	-2.0	-105.81	354.10	4.80	-101.01
CN(C)C(=O)C1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239711	0	45	-1.0	-45.60	377.45	3.26	-42.34
CN(C)C(=O)C1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239711	1	45	-1.0	-45.59	377.39	3.23	-42.36
CN(C)C(=O)C1=NN(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239712	0	45	-1.0	-47.15	358.27	2.77	-44.38
CN(C)C(=O)C1=NN(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239712	1	45	-1.0	-47.17	358.21	2.76	-44.41
CN(C)C(=O)C1=NN(C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239713	0	42	-1.0	-53.59	342.00	1.86	-51.73
CN(C)C(=O)C1=NN(C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239713	1	42	-1.0	-53.59	341.94	1.85	-51.74
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C(=O)N(C)C)C1=NN=N[N-]1	REAL300020239714	0	45	-1.0	-49.08	386.47	1.83	-47.25
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C(=O)N(C)C)C1=N[N-]N=N1	REAL300020239714	1	45	-1.0	-49.05	386.41	1.82	-47.23
CN(C)C(=O)C1=NN(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239715	0	42	-1.0	-45.23	344.36	1.92	-43.31
CN(C)C(=O)C1=NN(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239715	1	42	-1.0	-45.22	344.28	1.90	-43.32
CN(C)C(=O)C1=NN(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239716	0	48	-1.0	-49.85	366.44	3.64	-46.21
CN(C)C(=O)C1=NN(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239716	1	48	-1.0	-49.84	366.40	3.63	-46.21
CC1=C2C=CN=C2NC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239717	0	41	-1.0	-50.20	348.01	4.33	-45.87
CC1=C2C=CN=C2NC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239717	1	41	-1.0	-50.18	347.95	4.31	-45.87
CC1=C2C=CNC2=NC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239717	1	41	-1.0	-55.75	346.99	4.89	-50.86
CC1=C2C=CNC2=NC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239717	1	41	-1.0	-55.75	346.93	4.87	-50.88
CC1=C2C=CN=C2NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239718	0	41	-1.0	-44.85	324.83	4.09	-40.76
CC1=C2C=CN=C2NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239718	1	41	-1.0	-44.89	324.89	4.10	-40.79
CC1=C2C=CNC2=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239718	1	41	-1.0	-49.53	328.07	4.38	-45.15
CC1=C2C=CNC2=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239718	1	41	-1.0	-49.50	328.13	4.39	-45.11
CC1=C2C=CN=C2NC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239719	0	38	-1.0	-57.33	313.66	2.95	-54.38
CC1=C2C=CN=C2NC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239719	1	38	-1.0	-57.32	313.72	2.97	-54.35
CC1=C2C=CNC2=NC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239719	1	38	-1.0	-59.34	312.64	3.46	-55.88
CC1=C2C=CNC2=NC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239719	1	38	-1.0	-59.37	312.70	3.49	-55.88
CSCC[C@H](NC(=O)NC1=CNC2=NC=CC2=C1C)C1=N[N-]N=N1	REAL300020239720	0	41	-1.0	-56.15	356.68	3.00	-53.15
CSCC[C@H](NC(=O)NC1=CNC2=NC=CC2=C1C)C1=NN=N[N-]1	REAL300020239720	1	41	-1.0	-56.19	356.74	3.02	-53.17
CSCC[C@H](NC(=O)NC1=CN=C2NC=CC2=C1C)C1=N[N-]N=N1	REAL300020239720	1	41	-1.0	-51.79	356.18	3.43	-48.36
CSCC[C@H](NC(=O)NC1=CN=C2NC=CC2=C1C)C1=NN=N[N-]1	REAL300020239720	1	41	-1.0	-51.80	356.24	3.44	-48.36
CC1=C2C=CN=C2NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239721	0	38	-1.0	-52.51	314.99	3.00	-49.51
CC1=C2C=CN=C2NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239721	1	38	-1.0	-52.55	315.07	3.02	-49.53
CC1=C2C=CNC2=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239721	1	38	-1.0	-49.49	313.98	3.52	-45.97
CC1=C2C=CNC2=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239721	1	38	-1.0	-49.43	314.06	3.53	-45.90
CC1=C2C=CN=C2NC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239722	0	44	-1.0	-40.00	341.22	4.52	-35.48
CC1=C2C=CN=C2NC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239722	1	44	-1.0	-39.98	341.27	4.53	-35.45
CC1=C2C=CNC2=NC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239722	1	44	-1.0	-57.41	334.25	5.17	-52.24
CC1=C2C=CNC2=NC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239722	1	44	-1.0	-57.44	334.30	5.19	-52.25
CC[C@@H](NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020239723	0	37	-1.0	-41.57	325.59	3.92	-37.65
CC[C@@H](NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020239723	1	37	-1.0	-41.57	325.53	3.90	-37.67
CC[C@@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020239724	0	37	-1.0	-43.80	306.63	3.43	-40.37
CC[C@@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020239724	1	37	-1.0	-43.82	306.68	3.44	-40.38
CC[C@@H](NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(F)(F)F	REAL300020239725	0	37	-1.0	-47.97	334.48	2.48	-45.49
CC[C@@H](NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(F)(F)F	REAL300020239725	1	37	-1.0	-47.97	334.54	2.50	-45.47
CC[C@@H](NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020239726	0	40	-1.0	-50.09	309.09	4.46	-45.63
CC[C@@H](NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020239726	1	40	-1.0	-50.10	309.13	4.48	-45.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1CCOCCC1(F)F	REAL300020239727	0	42	-1.0	-43.63	343.17	3.17	-40.46
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1CCOCCC1(F)F	REAL300020239727	1	42	-1.0	-43.61	343.23	3.19	-40.42
O=C(NC1CCOCCC1(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239728	0	42	-1.0	-43.12	326.90	2.71	-40.41
O=C(NC1CCOCCC1(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239728	1	42	-1.0	-43.13	326.96	2.73	-40.40
O=C(NC1CCOCCC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020239729	0	39	-1.0	-50.67	311.26	1.77	-48.90
O=C(NC1CCOCCC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020239729	1	39	-1.0	-50.71	311.32	1.80	-48.91
CSCC[C@H](NC(=O)NC1CCOCCC1(F)F)C1=N[N-]N=N1	REAL300020239730	0	42	-1.0	-46.40	352.42	1.71	-44.69
CSCC[C@H](NC(=O)NC1CCOCCC1(F)F)C1=NN=N[N-]1	REAL300020239730	1	42	-1.0	-46.43	352.48	1.73	-44.70
O=C(NC1CCOCCC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020239731	0	39	-1.0	-42.94	310.31	1.82	-41.12
O=C(NC1CCOCCC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020239731	1	39	-1.0	-42.93	310.38	1.83	-41.10
O=C(NC1CCOCCC1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020239732	0	45	-1.0	-46.31	334.29	3.55	-42.76
O=C(NC1CCOCCC1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020239732	1	45	-1.0	-46.31	334.34	3.55	-42.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1CCCCCC1(F)F	REAL300020239733	0	44	-1.0	-46.47	348.34	4.93	-41.54
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1CCCCCC1(F)F	REAL300020239733	1	44	-1.0	-46.48	348.29	4.90	-41.58
O=C(NC1CCCCCC1(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239734	0	44	-1.0	-42.21	334.83	4.76	-37.45
O=C(NC1CCCCCC1(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239734	1	44	-1.0	-42.24	334.89	4.77	-37.47
O=C(NC1CCCCCC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020239735	0	41	-1.0	-56.97	313.69	3.49	-53.48
O=C(NC1CCCCCC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020239735	1	41	-1.0	-57.02	313.75	3.51	-53.51
CSCC[C@H](NC(=O)NC1CCCCCC1(F)F)C1=N[N-]N=N1	REAL300020239736	0	44	-1.0	-44.37	359.41	3.89	-40.48
CSCC[C@H](NC(=O)NC1CCCCCC1(F)F)C1=NN=N[N-]1	REAL300020239736	1	44	-1.0	-44.40	359.47	3.91	-40.49
O=C(NC1CCCCCC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020239737	0	41	-1.0	-44.34	315.19	3.54	-40.80
O=C(NC1CCCCCC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020239737	1	41	-1.0	-44.35	315.26	3.55	-40.80
O=C(NC1CCCCCC1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020239738	0	47	-1.0	-47.16	339.68	5.83	-41.33
O=C(NC1CCCCCC1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020239738	1	47	-1.0	-47.20	339.73	5.84	-41.36
O=C(NC1=CC=NN1C1CCCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239739	0	45	-1.0	-42.36	368.41	6.43	-35.93
O=C(NC1=CC=NN1C1CCCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239739	1	45	-1.0	-42.37	368.35	6.41	-35.96
O=C(NC1=CC=NN1C1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239740	0	45	-1.0	-44.14	349.21	5.94	-38.20
O=C(NC1=CC=NN1C1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239740	1	45	-1.0	-44.16	349.16	5.93	-38.23
O=C(NC1=CC=NN1C1CCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020239741	0	42	-1.0	-53.87	333.79	5.04	-48.83
O=C(NC1=CC=NN1C1CCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020239741	1	42	-1.0	-53.86	333.73	5.03	-48.83
CSCC[C@H](NC(=O)NC1=CC=NN1C1CCCC1)C1=NN=N[N-]1	REAL300020239742	0	45	-1.0	-46.79	377.39	5.01	-41.78
CSCC[C@H](NC(=O)NC1=CC=NN1C1CCCC1)C1=N[N-]N=N1	REAL300020239742	1	45	-1.0	-46.81	377.33	4.99	-41.82
O=C(NC1=CC=NN1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239743	0	42	-1.0	-44.04	335.26	5.08	-38.96
O=C(NC1=CC=NN1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239743	1	42	-1.0	-44.05	335.19	5.07	-38.98
O=C(NC1=CC=NN1C1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239744	0	48	-1.0	-51.13	357.78	6.93	-44.20
O=C(NC1=CC=NN1C1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239744	1	48	-1.0	-51.09	357.73	6.93	-44.16
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239745	0	48	-1.0	-45.85	385.07	6.26	-39.59
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239745	1	48	-1.0	-45.87	385.13	6.28	-39.59
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239746	0	45	-1.0	-56.05	369.89	5.33	-50.72
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239746	1	45	-1.0	-56.03	369.95	5.36	-50.67
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=NC=C2)C=C1C)C1=N[N-]N=N1	REAL300020239747	0	48	-1.0	-47.50	414.61	5.34	-42.16
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=NC=C2)C=C1C)C1=NN=N[N-]1	REAL300020239747	1	48	-1.0	-47.49	414.67	5.35	-42.14
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239748	0	45	-1.0	-45.24	371.42	5.37	-39.87
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239748	1	45	-1.0	-45.25	371.49	5.38	-39.87
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239749	0	51	-1.0	-52.41	392.28	7.10	-45.31
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239749	1	51	-1.0	-52.41	392.32	7.13	-45.28
O=C(NC1(C(F)(F)F)CCS(=O)(=O)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239750	0	44	-1.0	-50.55	351.92	1.16	-49.39
O=C(NC1(C(F)(F)F)CCS(=O)(=O)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239750	1	44	-1.0	-50.58	351.98	1.17	-49.41
O=C(NC1(C(F)(F)F)CCS(=O)(=O)CC1)N1CCCC1C1=N[N-]N=N1	REAL300020239751	0	41	-1.0	-59.39	336.64	0.25	-59.14
O=C(NC1(C(F)(F)F)CCS(=O)(=O)CC1)N1CCCC1C1=NN=N[N-]1	REAL300020239751	1	41	-1.0	-59.39	336.70	0.28	-59.11
O=C(NC1(C(F)(F)F)CCS(=O)(=O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239752	0	41	-1.0	-51.32	337.83	0.32	-51.00
O=C(NC1(C(F)(F)F)CCS(=O)(=O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239752	1	41	-1.0	-51.25	337.91	0.32	-50.93
COC(=O)C1CCC2=NC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NN2C1	REAL300020239753	0	47	-1.0	-55.89	398.70	7.39	-48.50
COC(=O)C1CCC2=NC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NN2C1	REAL300020239753	1	47	-1.0	-55.90	398.76	7.41	-48.49
COC(=O)C1CCC2=NC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=NN2C1	REAL300020239754	0	47	-1.0	-51.07	379.52	6.91	-44.16
COC(=O)C1CCC2=NC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=NN2C1	REAL300020239754	1	47	-1.0	-51.05	379.57	6.93	-44.12
COC(=O)C1CCC2=NC(NC(=O)N3CCCC3C3=N[N-]N=N3)=NN2C1	REAL300020239755	0	44	-1.0	-60.29	364.05	6.02	-54.27
COC(=O)C1CCC2=NC(NC(=O)N3CCCC3C3=NN=N[N-]3)=NN2C1	REAL300020239755	1	44	-1.0	-60.29	364.11	6.02	-54.27
COC(=O)C1CCC2=NC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=NN2C1	REAL300020239756	0	47	-1.0	-54.11	407.67	5.97	-48.14
COC(=O)C1CCC2=NC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=NN2C1	REAL300020239756	1	47	-1.0	-54.09	407.73	5.99	-48.10
COC(=O)C1CCC2=NC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=NN2C1	REAL300020239757	0	44	-1.0	-50.32	365.51	6.07	-44.25
COC(=O)C1CCC2=NC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=NN2C1	REAL300020239757	1	44	-1.0	-50.33	365.59	6.09	-44.24
COC(=O)C1CCC2=NC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=NN2C1	REAL300020239758	0	50	-1.0	-55.56	387.97	7.79	-47.77
COC(=O)C1CCC2=NC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=NN2C1	REAL300020239758	1	50	-1.0	-55.57	388.02	7.81	-47.76
O=C(NC1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239759	0	44	-1.0	-43.95	362.96	4.76	-39.19
O=C(NC1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239759	1	44	-1.0	-43.91	363.02	4.78	-39.13
O=C(NC1=CC(Cl)=C2OCCCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239760	0	41	-1.0	-56.70	347.43	3.88	-52.82
O=C(NC1=CC(Cl)=C2OCCCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239760	1	41	-1.0	-56.72	347.49	3.89	-52.83
CSCC[C@H](NC(=O)NC1=CC(Cl)=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL300020239761	0	44	-1.0	-49.43	391.19	3.81	-45.62
CSCC[C@H](NC(=O)NC1=CC(Cl)=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL300020239761	1	44	-1.0	-49.45	391.25	3.83	-45.62
O=C(NC1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239762	0	41	-1.0	-45.17	349.03	3.91	-41.26
O=C(NC1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239762	1	41	-1.0	-45.13	349.10	3.91	-41.22
O=C(NC1=CC(Cl)=C2OCCCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239763	0	47	-1.0	-40.56	375.44	4.94	-35.62
O=C(NC1=CC(Cl)=C2OCCCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239763	1	47	-1.0	-40.54	375.51	4.93	-35.61
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(OCC2CC2)C=C1F	REAL300020239764	0	46	-1.0	-41.72	391.72	6.71	-35.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(OCC2CC2)C=C1F	REAL300020239764	1	46	-1.0	-41.78	391.78	6.73	-35.05
O=C(NC1=CC=C(OCC2CC2)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239765	0	46	-1.0	-41.10	371.39	6.21	-34.89
O=C(NC1=CC=C(OCC2CC2)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239765	1	46	-1.0	-41.10	371.45	6.23	-34.87
O=C(NC1=CC=C(OCC2CC2)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020239766	0	43	-1.0	-49.86	356.63	5.28	-44.58
O=C(NC1=CC=C(OCC2CC2)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020239766	1	43	-1.0	-49.84	356.69	5.30	-44.54
CSCC[C@H](NC(=O)NC1=CC=C(OCC2CC2)C=C1F)C1=N[N-]N=N1	REAL300020239767	0	46	-1.0	-43.44	400.15	5.24	-38.20
CSCC[C@H](NC(=O)NC1=CC=C(OCC2CC2)C=C1F)C1=NN=N[N-]1	REAL300020239767	1	46	-1.0	-43.50	400.20	5.25	-38.25
O=C(NC1=CC=C(OCC2CC2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020239768	0	43	-1.0	-41.54	358.80	5.33	-36.21
O=C(NC1=CC=C(OCC2CC2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020239768	1	43	-1.0	-41.54	358.87	5.34	-36.20
O=C(NC1=CC=C(OCC2CC2)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020239769	0	49	-1.0	-46.85	380.43	7.19	-39.66
O=C(NC1=CC=C(OCC2CC2)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020239769	1	49	-1.0	-46.86	380.48	7.21	-39.65
CCCC1=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020239770	0	40	-1.0	-45.76	354.40	5.43	-40.33
CCCC1=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020239770	1	40	-1.0	-45.77	354.35	5.41	-40.36
CCCC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020239771	0	40	-1.0	-42.96	332.27	4.51	-38.45
CCCC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020239771	1	40	-1.0	-42.97	332.32	4.52	-38.45
CCCC1=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CS1	REAL300020239772	0	37	-1.0	-59.80	319.83	4.02	-55.78
CCCC1=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CS1	REAL300020239772	1	37	-1.0	-59.82	319.89	4.05	-55.77
CCCC1=NC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020239773	0	40	-1.0	-52.21	363.35	3.99	-48.22
CCCC1=NC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020239773	1	40	-1.0	-52.28	363.40	4.01	-48.27
CCCC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020239774	0	37	-1.0	-48.54	321.18	4.08	-44.46
CCCC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020239774	1	37	-1.0	-48.48	321.25	4.09	-44.39
CCCC1=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020239775	0	43	-1.0	-54.52	343.76	5.81	-48.71
CCCC1=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020239775	1	43	-1.0	-54.57	343.81	5.82	-48.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=NC=CC(C2CCC2)=N1	REAL300020239776	0	43	-1.0	-44.79	360.26	7.38	-37.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=NC=CC(C2CCC2)=N1	REAL300020239776	1	43	-1.0	-44.82	360.20	7.36	-37.46
O=C(NC1=NC=CC(C2CCC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239777	0	43	-1.0	-46.96	341.05	6.91	-40.05
O=C(NC1=NC=CC(C2CCC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239777	1	43	-1.0	-46.98	341.10	6.93	-40.05
O=C(NC1=NC=CC(C2CCC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020239778	0	40	-1.0	-56.65	325.57	5.99	-50.66
O=C(NC1=NC=CC(C2CCC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020239778	1	40	-1.0	-56.64	325.63	6.00	-50.64
CSCC[C@H](NC(=O)NC1=NC=CC(C2CCC2)=N1)C1=N[N-]N=N1	REAL300020239779	0	43	-1.0	-49.93	369.19	5.95	-43.98
CSCC[C@H](NC(=O)NC1=NC=CC(C2CCC2)=N1)C1=NN=N[N-]1	REAL300020239779	1	43	-1.0	-49.93	369.25	5.97	-43.96
O=C(NC1=NC=CC(C2CCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239780	0	40	-1.0	-46.37	327.04	6.04	-40.33
O=C(NC1=NC=CC(C2CCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239780	1	40	-1.0	-46.39	327.12	6.05	-40.34
O=C(NC1=NC=CC(C2CCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239781	0	46	-1.0	-52.21	349.24	7.76	-44.45
O=C(NC1=NC=CC(C2CCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239781	1	46	-1.0	-52.20	349.29	7.76	-44.44
O=C(NC1=CC2=CC=NC(Cl)=C2C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239782	0	40	-1.0	-42.93	358.92	5.64	-37.29
O=C(NC1=CC2=CC=NC(Cl)=C2C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239782	1	40	-1.0	-42.96	358.86	5.61	-37.35
O=C(NC1=CC2=CC=NC(Cl)=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239783	0	40	-1.0	-45.36	339.79	5.15	-40.21
O=C(NC1=CC2=CC=NC(Cl)=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239783	1	40	-1.0	-45.40	339.73	5.13	-40.27
O=C(NC1=CC2=CC=NC(Cl)=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239784	0	37	-1.0	-53.36	324.50	4.22	-49.14
O=C(NC1=CC2=CC=NC(Cl)=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239784	1	37	-1.0	-53.42	324.44	4.20	-49.22
CSCC[C@H](NC(=O)NC1=CC2=CC=NC(Cl)=C2C=C1)C1=NN=N[N-]1	REAL300020239785	0	40	-1.0	-49.49	368.02	4.19	-45.30
CSCC[C@H](NC(=O)NC1=CC2=CC=NC(Cl)=C2C=C1)C1=N[N-]N=N1	REAL300020239785	1	40	-1.0	-49.44	367.96	4.18	-45.26
O=C(NC1=CC2=CC=NC(Cl)=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239786	0	37	-1.0	-45.44	325.91	4.28	-41.16
O=C(NC1=CC2=CC=NC(Cl)=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239786	1	37	-1.0	-45.41	325.84	4.27	-41.14
O=C(NC1=CC2=CC=NC(Cl)=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239787	0	43	-1.0	-39.35	352.09	5.30	-34.05
O=C(NC1=CC2=CC=NC(Cl)=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239787	1	43	-1.0	-39.29	352.01	5.28	-34.01
O=C(NC1=CC=C(C2=NNC(=O)CO2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239788	0	44	-1.0	-50.79	381.94	0.97	-49.82
O=C(NC1=CC=C(C2=NNC(=O)CO2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239788	1	44	-1.0	-50.81	382.00	0.99	-49.82
O=C(NC1=CC=C(C2=NNC(=O)CO2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239789	0	44	-1.0	-46.24	362.19	0.49	-45.75
O=C(NC1=CC=C(C2=NNC(=O)CO2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239789	1	44	-1.0	-46.28	362.25	0.51	-45.77
O=C(NC1=CC=C(C2=NNC(=O)CO2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239790	0	41	-1.0	-55.18	347.92	-0.49	-55.67
O=C(NC1=CC=C(C2=NNC(=O)CO2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239790	1	41	-1.0	-55.16	347.98	-0.47	-55.63
CSCC[C@H](NC(=O)NC1=CC=C(C2=NNC(=O)CO2)C=C1)C1=N[N-]N=N1	REAL300020239791	0	44	-1.0	-51.18	391.17	-0.49	-51.67
CSCC[C@H](NC(=O)NC1=CC=C(C2=NNC(=O)CO2)C=C1)C1=NN=N[N-]1	REAL300020239791	1	44	-1.0	-51.20	391.23	-0.47	-51.67
O=C(NC1=CC=C(C2=NNC(=O)CO2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239792	0	41	-1.0	-46.48	349.31	-0.44	-46.92
O=C(NC1=CC=C(C2=NNC(=O)CO2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239792	1	41	-1.0	-46.47	349.39	-0.42	-46.89
O=C(NC1=CC=C(C2=NNC(=O)CO2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239793	0	47	-1.0	-50.66	368.80	1.40	-49.26
O=C(NC1=CC=C(C2=NNC(=O)CO2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239793	1	47	-1.0	-50.65	368.85	1.41	-49.24
CC1CCC2=NC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NC=C2C1	REAL300020239794	0	46	-1.0	-55.88	377.90	7.90	-47.98
CC1CCC2=NC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NC=C2C1	REAL300020239794	1	46	-1.0	-55.87	377.84	7.87	-48.00
CC1CCC2=NC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC=C2C1	REAL300020239795	0	46	-1.0	-46.75	358.67	7.41	-39.34
CC1CCC2=NC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC=C2C1	REAL300020239795	1	46	-1.0	-46.79	358.73	7.43	-39.36
CC1CCC2=NC(NC(=O)N3CCCC3C3=N[N-]N=N3)=NC=C2C1	REAL300020239796	0	43	-1.0	-57.03	343.20	6.49	-50.54
CC1CCC2=NC(NC(=O)N3CCCC3C3=NN=N[N-]3)=NC=C2C1	REAL300020239796	1	43	-1.0	-57.05	343.26	6.50	-50.55
CSCC[C@H](NC(=O)NC1=NC=C2CC(C)CCC2=N1)C1=N[N-]N=N1	REAL300020239797	0	46	-1.0	-49.99	386.82	6.46	-43.53
CSCC[C@H](NC(=O)NC1=NC=C2CC(C)CCC2=N1)C1=NN=N[N-]1	REAL300020239797	1	46	-1.0	-49.93	386.88	6.47	-43.46
CC1CCC2=NC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=NC=C2C1	REAL300020239798	0	43	-1.0	-46.34	344.66	6.56	-39.78
CC1CCC2=NC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=NC=C2C1	REAL300020239798	1	43	-1.0	-46.35	344.73	6.57	-39.78
CC1CCC2=NC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=NC=C2C1	REAL300020239799	0	49	-1.0	-52.79	367.13	8.27	-44.52
CC1CCC2=NC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=NC=C2C1	REAL300020239799	1	49	-1.0	-52.78	367.19	8.29	-44.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=NC=C2CCCCCC2=N1	REAL300020239800	0	46	-1.0	-56.61	372.62	7.74	-48.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=NC=C2CCCCCC2=N1	REAL300020239800	1	46	-1.0	-56.61	372.56	7.72	-48.89
O=C(NC1=NC=C2CCCCCC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239801	0	46	-1.0	-47.11	353.34	7.26	-39.85
O=C(NC1=NC=C2CCCCCC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239801	1	46	-1.0	-47.09	353.40	7.27	-39.82
O=C(NC1=NC=C2CCCCCC2=N1)N1CCCC1C1=N[N-]N=N1	REAL300020239802	0	43	-1.0	-58.16	337.90	6.35	-51.81
O=C(NC1=NC=C2CCCCCC2=N1)N1CCCC1C1=NN=N[N-]1	REAL300020239802	1	43	-1.0	-58.17	337.96	6.36	-51.81
CSCC[C@H](NC(=O)NC1=NC=C2CCCCCC2=N1)C1=N[N-]N=N1	REAL300020239803	0	46	-1.0	-50.61	381.52	6.30	-44.31
CSCC[C@H](NC(=O)NC1=NC=C2CCCCCC2=N1)C1=NN=N[N-]1	REAL300020239803	1	46	-1.0	-50.60	381.57	6.32	-44.28
O=C(NC1=NC=C2CCCCCC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239804	0	43	-1.0	-47.09	339.37	6.41	-40.68
O=C(NC1=NC=C2CCCCCC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239804	1	43	-1.0	-47.14	339.45	6.42	-40.72
O=C(NC1=NC=C2CCCCCC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239805	0	49	-1.0	-54.05	361.83	8.11	-45.94
O=C(NC1=NC=C2CCCCCC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239805	1	49	-1.0	-54.06	361.88	8.14	-45.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=NC=CC(C2CC2)=N1	REAL300020239806	0	40	-1.0	-55.69	344.12	6.91	-48.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=NC=CC(C2CC2)=N1	REAL300020239806	1	40	-1.0	-55.69	344.06	6.89	-48.80
O=C(NC1=NC=CC(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239807	0	40	-1.0	-46.97	324.87	6.43	-40.54
O=C(NC1=NC=CC(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239807	1	40	-1.0	-46.97	324.93	6.44	-40.53
O=C(NC1=NC=CC(C2CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020239808	0	37	-1.0	-56.91	309.41	5.50	-51.41
O=C(NC1=NC=CC(C2CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020239808	1	37	-1.0	-56.97	309.47	5.52	-51.45
CSCC[C@H](NC(=O)NC1=NC=CC(C2CC2)=N1)C1=N[N-]N=N1	REAL300020239809	0	40	-1.0	-50.19	353.04	5.47	-44.72
CSCC[C@H](NC(=O)NC1=NC=CC(C2CC2)=N1)C1=NN=N[N-]1	REAL300020239809	1	40	-1.0	-50.19	353.10	5.49	-44.70
O=C(NC1=NC=CC(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239810	0	37	-1.0	-46.68	310.90	5.56	-41.12
O=C(NC1=NC=CC(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239810	1	37	-1.0	-46.67	310.97	5.57	-41.10
O=C(NC1=NC=CC(C2CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239811	0	43	-1.0	-52.50	333.12	7.29	-45.21
O=C(NC1=NC=CC(C2CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239811	1	43	-1.0	-52.51	333.17	7.29	-45.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C(F)C(F)(F)F)=C1	REAL300020239812	0	41	-1.0	-53.83	367.49	6.51	-47.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C(F)C(F)(F)F)=C1	REAL300020239812	1	41	-1.0	-53.88	367.54	6.54	-47.34
O=C(NC1=CC=CC(C(F)C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239813	0	41	-1.0	-44.12	347.13	6.10	-38.02
O=C(NC1=CC=CC(C(F)C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239813	1	41	-1.0	-44.12	347.19	6.12	-38.00
O=C(NC1=CC=CC(C(F)C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239814	0	38	-1.0	-53.38	332.69	5.18	-48.20
O=C(NC1=CC=CC(C(F)C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239814	1	38	-1.0	-53.39	332.75	5.19	-48.20
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020239815	0	41	-1.0	-45.87	376.23	5.15	-40.72
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020239815	1	41	-1.0	-45.83	376.29	5.16	-40.67
O=C(NC1=CC=CC(C(F)C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239816	0	38	-1.0	-43.67	334.33	5.20	-38.47
O=C(NC1=CC=CC(C(F)C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239816	1	38	-1.0	-43.74	334.40	5.22	-38.52
O=C(NC1=CC=CC(C(F)C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239817	0	44	-1.0	-39.25	362.76	6.26	-32.99
O=C(NC1=CC=CC(C(F)C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239817	1	44	-1.0	-39.21	362.81	6.28	-32.93
COC(=O)C1=NC=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020239818	0	46	-1.0	-50.40	375.60	5.24	-45.16
COC(=O)C1=NC=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020239818	1	46	-1.0	-50.32	375.54	5.22	-45.10
COC(=O)C1=NC=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020239819	0	43	-1.0	-54.04	359.80	4.36	-49.68
COC(=O)C1=NC=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020239819	1	43	-1.0	-54.05	359.74	4.34	-49.71
COC(=O)C1=NC=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020239820	0	43	-1.0	-45.57	361.60	4.37	-41.20
COC(=O)C1=NC=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020239820	1	43	-1.0	-45.54	361.53	4.36	-41.18
COC(=O)C1=NC=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020239821	0	49	-1.0	-45.17	388.39	5.38	-39.79
COC(=O)C1=NC=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020239821	1	49	-1.0	-45.18	388.35	5.37	-39.81
CCCC1=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020239822	0	43	-1.0	-47.27	365.26	6.41	-40.86
CCCC1=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NO1	REAL300020239822	1	43	-1.0	-47.27	365.20	6.38	-40.89
CCCC1=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020239823	0	43	-1.0	-49.23	345.97	5.88	-43.35
CCCC1=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020239823	1	43	-1.0	-49.21	346.02	5.90	-43.31
CCCC1=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=NO1	REAL300020239824	0	40	-1.0	-62.41	330.57	5.00	-57.41
CCCC1=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=NO1	REAL300020239824	1	40	-1.0	-62.41	330.63	5.03	-57.38
CCCC1=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NO1	REAL300020239825	0	43	-1.0	-53.77	374.18	4.97	-48.80
CCCC1=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NO1	REAL300020239825	1	43	-1.0	-53.80	374.24	4.98	-48.82
CCCC1=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020239826	0	40	-1.0	-50.35	333.17	5.10	-45.25
CCCC1=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020239826	1	40	-1.0	-50.39	333.24	5.11	-45.28
CCCC1=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020239827	0	46	-1.0	-58.39	354.25	6.78	-51.61
CCCC1=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020239827	1	46	-1.0	-58.39	354.30	6.79	-51.60
COCC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300020239828	0	42	-1.0	-50.32	371.53	5.13	-45.19
COCC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Cl	REAL300020239828	1	42	-1.0	-50.28	371.47	5.11	-45.17
COCC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020239829	0	42	-1.0	-42.61	352.44	4.64	-37.97
COCC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020239829	1	42	-1.0	-42.58	352.50	4.66	-37.92
COCC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020239830	0	39	-1.0	-54.98	336.98	3.74	-51.24
COCC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020239830	1	39	-1.0	-55.02	337.04	3.76	-51.26
COCC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Cl	REAL300020239831	0	42	-1.0	-44.92	380.25	3.73	-41.19
COCC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Cl	REAL300020239831	1	42	-1.0	-44.94	380.31	3.75	-41.19
COCC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020239832	0	39	-1.0	-42.13	338.07	3.83	-38.30
COCC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020239832	1	39	-1.0	-42.15	338.14	3.83	-38.32
COCC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020239833	0	45	-1.0	-41.01	364.81	4.84	-36.17
COCC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020239833	1	45	-1.0	-41.04	364.85	4.84	-36.20
C=CCN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020239834	0	39	-1.0	-45.84	339.66	3.95	-41.89
C=CCN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020239834	1	39	-1.0	-45.83	339.60	3.93	-41.90
C=CCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020239835	0	39	-1.0	-47.02	320.47	3.49	-43.53
C=CCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020239835	1	39	-1.0	-47.00	320.41	3.48	-43.52
C=CCN1C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020239836	0	39	-1.0	-51.20	348.64	2.54	-48.66
C=CCN1C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020239836	1	39	-1.0	-51.19	348.58	2.52	-48.67
C=CCN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020239837	0	42	-1.0	-54.79	328.47	4.37	-50.42
C=CCN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020239837	1	42	-1.0	-54.77	328.43	4.37	-50.40
CC1=CC(OCC2=CC=CC=N2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239838	0	51	-1.0	-46.59	406.61	6.79	-39.80
CC1=CC(OCC2=CC=CC=N2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239838	1	51	-1.0	-46.58	406.66	6.80	-39.78
CC1=CC(OCC2=CC=CC=N2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239839	0	48	-1.0	-56.92	390.32	5.82	-51.10
CC1=CC(OCC2=CC=CC=N2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239839	1	48	-1.0	-56.90	390.38	5.84	-51.06
CC1=CC(OCC2=CC=CC=N2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239840	0	48	-1.0	-47.36	391.69	5.88	-41.48
CC1=CC(OCC2=CC=CC=N2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239840	1	48	-1.0	-47.32	391.76	5.90	-41.42
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239841	0	48	-1.0	-51.90	382.88	5.63	-46.27
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239841	1	48	-1.0	-51.88	382.83	5.62	-46.26
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239842	0	45	-1.0	-64.62	368.14	4.71	-59.91
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239842	1	45	-1.0	-64.60	368.08	4.69	-59.91
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020239843	0	48	-1.0	-59.86	411.71	4.67	-55.19
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020239843	1	48	-1.0	-59.84	411.66	4.66	-55.18
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239844	0	45	-1.0	-53.09	369.50	4.74	-48.35
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239844	1	45	-1.0	-53.06	369.43	4.74	-48.32
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239845	0	51	-1.0	-50.76	395.73	5.84	-44.92
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239845	1	51	-1.0	-50.80	395.69	5.84	-44.96
CCOC(=O)C1=NN(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020239846	0	44	-1.0	-47.64	382.34	4.94	-42.70
CCOC(=O)C1=NN(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020239846	1	44	-1.0	-47.55	382.28	4.91	-42.64
CCOC(=O)C1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020239847	0	44	-1.0	-49.08	363.15	4.47	-44.61
CCOC(=O)C1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020239847	1	44	-1.0	-49.06	363.10	4.45	-44.61
CCOC(=O)C1=NN(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020239848	0	41	-1.0	-60.76	347.71	3.56	-57.20
CCOC(=O)C1=NN(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020239848	1	41	-1.0	-60.74	347.65	3.54	-57.20
CCOC(=O)C1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020239849	0	44	-1.0	-52.80	391.33	3.51	-49.29
CCOC(=O)C1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020239849	1	44	-1.0	-52.81	391.27	3.50	-49.31
CCOC(=O)C1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020239850	0	41	-1.0	-49.97	349.20	3.61	-46.36
CCOC(=O)C1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020239850	1	41	-1.0	-49.99	349.12	3.59	-46.40
CCOC(=O)C1=NN(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020239851	0	47	-1.0	-58.25	371.15	5.34	-52.91
CCOC(=O)C1=NN(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020239851	1	47	-1.0	-58.22	371.11	5.35	-52.87
O=C(NC1=CC=C(C2=NNC(C(F)(F)F)=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239852	0	42	-1.0	-53.77	368.33	4.36	-49.41
O=C(NC1=CC=C(C2=NNC(C(F)(F)F)=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239852	1	42	-1.0	-53.78	368.39	4.38	-49.40
O=C(NC1=CC=C(C2=CC(C(F)(F)F)=NN2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239852	1	42	-1.0	-53.62	367.75	4.32	-49.30
O=C(NC1=CC=C(C2=CC(C(F)(F)F)=NN2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239852	1	42	-1.0	-53.64	367.81	4.34	-49.30
O=C(NC1=CC=C(C2=NNC(C(F)(F)F)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239853	0	42	-1.0	-44.07	370.00	4.39	-39.68
O=C(NC1=CC=C(C2=NNC(C(F)(F)F)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239853	1	42	-1.0	-44.10	370.07	4.41	-39.69
O=C(NC1=CC=C(C2=CC(C(F)(F)F)=NN2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239853	1	42	-1.0	-45.93	369.03	4.39	-41.54
O=C(NC1=CC=C(C2=CC(C(F)(F)F)=NN2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239853	1	42	-1.0	-45.95	369.11	4.41	-41.54
CC1=CC(OCC2=CC=CN=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239854	0	51	-1.0	-46.53	407.88	6.66	-39.87
CC1=CC(OCC2=CC=CN=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239854	1	51	-1.0	-46.55	407.83	6.64	-39.91
CC1=CC(OCC2=CC=CN=C2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239855	0	48	-1.0	-57.27	392.28	5.77	-51.50
CC1=CC(OCC2=CC=CN=C2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239855	1	48	-1.0	-57.27	392.22	5.74	-51.53
CC1=CC(OCC2=CC=CN=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239856	0	48	-1.0	-46.28	393.81	5.81	-40.47
CC1=CC(OCC2=CC=CN=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239856	1	48	-1.0	-46.27	393.74	5.80	-40.47
CC1=CC(OCC2=CC=NC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239857	0	51	-1.0	-45.48	408.73	6.70	-38.78
CC1=CC(OCC2=CC=NC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239857	1	51	-1.0	-45.51	408.79	6.72	-38.79
CC1=CC(OCC2=CC=NC=C2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239858	0	48	-1.0	-56.61	392.26	5.75	-50.86
CC1=CC(OCC2=CC=NC=C2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239858	1	48	-1.0	-56.63	392.32	5.77	-50.86
CC1=CC(OCC2=CC=NC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239859	0	48	-1.0	-45.94	393.78	5.81	-40.13
CC1=CC(OCC2=CC=NC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239859	1	48	-1.0	-45.95	393.85	5.83	-40.12
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239860	0	48	-1.0	-47.01	381.24	5.40	-41.61
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239860	1	48	-1.0	-47.06	381.30	5.41	-41.65
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239861	0	45	-1.0	-60.71	366.63	4.47	-56.24
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239861	1	45	-1.0	-60.68	366.69	4.48	-56.20
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020239862	0	48	-1.0	-50.46	409.36	4.42	-46.04
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020239862	1	48	-1.0	-50.45	409.41	4.44	-46.01
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239863	0	45	-1.0	-47.65	368.01	4.52	-43.13
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239863	1	45	-1.0	-47.69	368.09	4.53	-43.16
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239864	0	51	-1.0	-44.82	393.60	5.63	-39.19
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239864	1	51	-1.0	-44.83	393.53	5.63	-39.20
CS(=O)(=O)CCN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020239865	0	44	-1.0	-52.95	390.49	0.93	-52.02
CS(=O)(=O)CCN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020239865	1	44	-1.0	-52.94	390.43	0.90	-52.04
CS(=O)(=O)CCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020239866	0	44	-1.0	-54.53	371.30	0.46	-54.07
CS(=O)(=O)CCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020239866	1	44	-1.0	-54.54	371.24	0.44	-54.10
CS(=O)(=O)CCN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020239867	0	41	-1.0	-64.40	355.85	-0.46	-64.86
CS(=O)(=O)CCN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020239867	1	41	-1.0	-64.44	355.79	-0.48	-64.92
CSCC[C@H](NC(=O)NC1=CN(CCS(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300020239868	0	44	-1.0	-58.37	399.47	-0.50	-58.87
CSCC[C@H](NC(=O)NC1=CN(CCS(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300020239868	1	44	-1.0	-58.38	399.42	-0.51	-58.89
CS(=O)(=O)CCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020239869	0	41	-1.0	-54.92	357.34	-0.42	-55.34
CS(=O)(=O)CCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020239869	1	41	-1.0	-54.95	357.27	-0.44	-55.39
CS(=O)(=O)CCN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020239870	0	47	-1.0	-59.67	379.31	1.34	-58.33
CS(=O)(=O)CCN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020239870	1	47	-1.0	-59.67	379.27	1.33	-58.34
CC1=CN=C2SC([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NC2=C1	REAL300020239871	0	38	-2.0	-90.83	347.86	2.94	-87.89
CC1=CN=C2SC([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NC2=C1	REAL300020239871	1	38	-2.0	-90.84	347.80	2.92	-87.92
CC1=CN=C2SC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NC2=C1	REAL300020239871	1	39	-1.0	-51.00	351.11	4.12	-46.88
CC1=CN=C2SC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NC2=C1	REAL300020239871	1	39	-1.0	-51.00	351.06	4.09	-46.91
CC1=CN=C2SC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC2=C1	REAL300020239872	0	39	-1.0	-45.76	331.85	3.64	-42.12
CC1=CN=C2SC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC2=C1	REAL300020239872	1	39	-1.0	-45.77	331.91	3.66	-42.11
CC1=CN=C2SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC2=C1	REAL300020239872	1	38	-2.0	-93.23	330.83	2.80	-90.43
CC1=CN=C2SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC2=C1	REAL300020239872	1	38	-2.0	-93.23	330.89	2.82	-90.41
CC1=CN=C2SC(NC(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020239873	0	36	-1.0	-54.42	316.40	2.72	-51.70
CC1=CN=C2SC(NC(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020239873	1	36	-1.0	-54.42	316.46	2.74	-51.68
CC1=CN=C2SC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020239873	1	35	-2.0	-114.41	314.99	1.69	-112.72
CC1=CN=C2SC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020239873	1	35	-2.0	-114.37	315.05	1.70	-112.67
CSCC[C@H](NC(=O)NC1=NC2=CC(C)=CN=C2S1)C1=N[N-]N=N1	REAL300020239874	0	39	-1.0	-47.94	360.02	2.69	-45.25
CSCC[C@H](NC(=O)NC1=NC2=CC(C)=CN=C2S1)C1=NN=N[N-]1	REAL300020239874	1	39	-1.0	-47.95	360.08	2.70	-45.25
CSCC[C@H](NC(=O)[N-]C1=NC2=CC(C)=CN=C2S1)C1=N[N-]N=N1	REAL300020239874	1	38	-2.0	-104.59	356.78	1.50	-103.09
CC1=CN=C2SC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020239875	0	36	-1.0	-44.95	317.88	2.76	-42.19
CC1=CN=C2SC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020239875	1	36	-1.0	-44.94	317.95	2.78	-42.16
CC1=CN=C2SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020239875	1	35	-2.0	-93.51	315.73	1.74	-91.77
CC1=CN=C2SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020239875	1	35	-2.0	-93.54	315.80	1.75	-91.79
CC1=CN=C2SC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=NC2=C1	REAL300020239876	0	42	-1.0	-51.51	340.19	4.51	-47.00
CC1=CN=C2SC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=NC2=C1	REAL300020239876	1	42	-1.0	-51.60	340.22	4.52	-47.08
CC1=CN=C2SC([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)=NC2=C1	REAL300020239876	1	41	-2.0	-98.81	343.83	3.36	-95.45
CC1=CN=C2SC([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)=NC2=C1	REAL300020239876	1	41	-2.0	-98.73	343.89	3.37	-95.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2CCOCC2=C1	REAL300020239877	0	43	-1.0	-54.44	356.88	4.88	-49.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2CCOCC2=C1	REAL300020239877	1	43	-1.0	-54.42	356.83	4.85	-49.57
O=C(NC1=CC=C2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239878	0	43	-1.0	-44.85	337.85	4.36	-40.49
O=C(NC1=CC=C2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239878	1	43	-1.0	-44.85	337.90	4.37	-40.48
O=C(NC1=CC=C2CCOCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239879	0	40	-1.0	-56.11	322.23	3.50	-52.61
O=C(NC1=CC=C2CCOCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239879	1	40	-1.0	-56.16	322.29	3.52	-52.64
CSCC[C@H](NC(=O)NC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300020239880	0	43	-1.0	-46.93	365.74	3.45	-43.48
CSCC[C@H](NC(=O)NC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300020239880	1	43	-1.0	-46.89	365.79	3.46	-43.43
O=C(NC1=CC=C2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239881	0	40	-1.0	-45.07	323.57	3.53	-41.54
O=C(NC1=CC=C2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239881	1	40	-1.0	-45.09	323.65	3.55	-41.54
O=C(NC1=CC=C2CCOCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239882	0	46	-1.0	-43.15	350.25	4.54	-38.61
O=C(NC1=CC=C2CCOCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239882	1	46	-1.0	-43.12	350.29	4.54	-38.58
COC(=O)C1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020239883	0	44	-1.0	-55.51	380.78	6.39	-49.12
COC(=O)C1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020239883	1	44	-1.0	-55.48	380.72	6.36	-49.12
COC(=O)C1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020239884	0	44	-1.0	-50.61	360.87	5.82	-44.79
COC(=O)C1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020239884	1	44	-1.0	-50.64	360.93	5.83	-44.81
COC(=O)C1=CC(C)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020239885	0	41	-1.0	-58.94	345.46	4.92	-54.02
COC(=O)C1=CC(C)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020239885	1	41	-1.0	-58.95	345.52	4.93	-54.02
COC(=O)C1=CC(C)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020239886	0	44	-1.0	-54.90	388.99	4.87	-50.03
COC(=O)C1=CC(C)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020239886	1	44	-1.0	-54.92	389.05	4.88	-50.04
COC(=O)C1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020239887	0	41	-1.0	-50.51	346.83	4.97	-45.54
COC(=O)C1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020239887	1	41	-1.0	-50.56	346.91	4.99	-45.57
COC(=O)C1=CC(C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020239888	0	47	-1.0	-55.57	368.52	6.66	-48.91
COC(=O)C1=CC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020239888	1	47	-1.0	-55.55	368.57	6.67	-48.88
CN1N=C(C2CCC2)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239889	0	44	-1.0	-55.58	370.95	7.68	-47.90
CN1N=C(C2CCC2)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239889	1	44	-1.0	-55.57	370.89	7.66	-47.91
CN1N=C(C2CCC2)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239890	0	44	-1.0	-49.38	351.67	7.17	-42.21
CN1N=C(C2CCC2)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239890	1	44	-1.0	-49.38	351.72	7.19	-42.19
CN1N=C(C2CCC2)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239891	0	41	-1.0	-60.75	336.23	6.24	-54.51
CN1N=C(C2CCC2)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239891	1	41	-1.0	-60.74	336.29	6.27	-54.47
CSCC[C@H](NC(=O)NC1=NC(C2CCC2)=NN1C)C1=N[N-]N=N1	REAL300020239892	0	44	-1.0	-52.86	379.85	6.24	-46.62
CSCC[C@H](NC(=O)NC1=NC(C2CCC2)=NN1C)C1=NN=N[N-]1	REAL300020239892	1	44	-1.0	-52.88	379.91	6.26	-46.62
CN1N=C(C2CCC2)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239893	0	41	-1.0	-49.86	337.66	6.34	-43.52
CN1N=C(C2CCC2)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239893	1	41	-1.0	-49.85	337.73	6.36	-43.49
CN1N=C(C2CCC2)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239894	0	47	-1.0	-57.15	359.92	8.02	-49.13
CN1N=C(C2CCC2)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239894	1	47	-1.0	-57.16	359.97	8.03	-49.13
CC(OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C1=CC=CC=C1	REAL300020239895	0	52	-1.0	-44.73	413.40	8.21	-36.52
CC(OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C1=CC=CC=C1	REAL300020239895	1	52	-1.0	-44.70	413.45	8.23	-36.47
CC(OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300020239896	0	49	-1.0	-54.22	396.62	7.29	-46.93
CC(OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300020239896	1	49	-1.0	-54.22	396.68	7.31	-46.91
CC(OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CC=C1	REAL300020239897	0	49	-1.0	-44.84	398.17	7.34	-37.50
CC(OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CC=C1	REAL300020239897	1	49	-1.0	-44.84	398.25	7.34	-37.50
O=C(NC1=NOC2=C1CCCCC2)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239898	0	44	-1.0	-46.92	357.64	6.56	-40.36
O=C(NC1=NOC2=C1CCCCC2)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239898	1	44	-1.0	-46.94	357.59	6.53	-40.41
O=C(NC1=NOC2=C1CCCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239899	0	44	-1.0	-48.76	338.44	6.06	-42.70
O=C(NC1=NOC2=C1CCCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239899	1	44	-1.0	-48.78	338.50	6.07	-42.71
O=C(NC1=NOC2=C1CCCCC2)N1CCCC1C1=N[N-]N=N1	REAL300020239900	0	41	-1.0	-62.02	322.98	5.15	-56.87
O=C(NC1=NOC2=C1CCCCC2)N1CCCC1C1=NN=N[N-]1	REAL300020239900	1	41	-1.0	-62.03	323.04	5.16	-56.87
CSCC[C@H](NC(=O)NC1=NOC2=C1CCCCC2)C1=N[N-]N=N1	REAL300020239901	0	44	-1.0	-53.46	366.61	5.11	-48.35
CSCC[C@H](NC(=O)NC1=NOC2=C1CCCCC2)C1=NN=N[N-]1	REAL300020239901	1	44	-1.0	-53.47	366.67	5.13	-48.34
O=C(NC1=NOC2=C1CCCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020239902	0	41	-1.0	-49.97	324.45	5.20	-44.77
O=C(NC1=NOC2=C1CCCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020239902	1	41	-1.0	-49.96	324.53	5.21	-44.75
O=C(NC1=NOC2=C1CCCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020239903	0	47	-1.0	-58.47	346.65	6.93	-51.54
O=C(NC1=NOC2=C1CCCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020239903	1	47	-1.0	-58.48	346.71	6.93	-51.55
CC1=CC(F)=CC(Br)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239904	0	38	-1.0	-41.82	330.81	5.86	-35.96
CC1=CC(F)=CC(Br)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239904	1	38	-1.0	-41.81	330.86	5.87	-35.94
CC1=CC(F)=CC(Br)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239905	0	35	-1.0	-51.15	318.94	5.08	-46.07
CC1=CC(F)=CC(Br)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239905	1	35	-1.0	-51.14	319.00	5.10	-46.04
CC1=CC(F)=CC(Br)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239906	0	35	-1.0	-41.60	320.36	5.16	-36.44
CC1=CC(F)=CC(Br)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239906	1	35	-1.0	-41.62	320.43	5.17	-36.45
CC1=CC(F)=CC(Br)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239907	0	41	-1.0	-36.60	330.39	5.45	-31.15
CC1=CC(F)=CC(Br)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239907	1	41	-1.0	-36.59	330.43	5.45	-31.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1(C(F)(F)F)CCSCC1	REAL300020239908	0	42	-1.0	-41.53	351.32	5.21	-36.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1(C(F)(F)F)CCSCC1	REAL300020239908	1	42	-1.0	-41.50	351.38	5.24	-36.26
O=C(NC1(C(F)(F)F)CCSCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239909	0	42	-1.0	-42.97	333.09	4.83	-38.14
O=C(NC1(C(F)(F)F)CCSCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239909	1	42	-1.0	-42.96	333.15	4.85	-38.11
O=C(NC1(C(F)(F)F)CCSCC1)N1CCCC1C1=N[N-]N=N1	REAL300020239910	0	39	-1.0	-51.97	317.47	3.93	-48.04
O=C(NC1(C(F)(F)F)CCSCC1)N1CCCC1C1=NN=N[N-]1	REAL300020239910	1	39	-1.0	-51.98	317.53	3.96	-48.02
CSCC[C@H](NC(=O)NC1(C(F)(F)F)CCSCC1)C1=N[N-]N=N1	REAL300020239911	0	42	-1.0	-45.77	361.15	3.90	-41.87
CSCC[C@H](NC(=O)NC1(C(F)(F)F)CCSCC1)C1=NN=N[N-]1	REAL300020239911	1	42	-1.0	-45.75	361.21	3.92	-41.83
O=C(NC1(C(F)(F)F)CCSCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239912	0	39	-1.0	-43.37	318.98	3.99	-39.38
O=C(NC1(C(F)(F)F)CCSCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239912	1	39	-1.0	-43.36	319.05	4.00	-39.36
O=C(NC1(C(F)(F)F)CCSCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239913	0	45	-1.0	-49.32	337.78	5.87	-43.45
O=C(NC1(C(F)(F)F)CCSCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239913	1	45	-1.0	-49.30	337.80	5.88	-43.42
O=C(NC1=CC(Br)=C2OCCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239914	0	38	-1.0	-54.93	333.62	3.18	-51.75
O=C(NC1=CC(Br)=C2OCCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239914	1	38	-1.0	-54.94	333.67	3.20	-51.74
O=C(NC1=CC(Br)=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239915	0	38	-1.0	-46.18	334.77	3.26	-42.92
O=C(NC1=CC(Br)=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239915	1	38	-1.0	-46.14	334.84	3.28	-42.86
CC(C)(C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)S(C)(=O)=O	REAL300020239916	0	50	-1.0	-52.80	392.98	3.39	-49.41
CC(C)(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)S(C)(=O)=O	REAL300020239916	1	50	-1.0	-52.82	393.04	3.41	-49.41
CC(C)(C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1)S(C)(=O)=O	REAL300020239917	0	47	-1.0	-62.23	377.57	2.47	-59.76
CC(C)(C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1)S(C)(=O)=O	REAL300020239917	1	47	-1.0	-62.23	377.63	2.49	-59.74
CC(C)(C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)S(C)(=O)=O	REAL300020239918	0	47	-1.0	-52.44	378.94	2.53	-49.91
CC(C)(C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)S(C)(=O)=O	REAL300020239918	1	47	-1.0	-52.45	379.01	2.54	-49.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=CC=NN21	REAL300020239919	0	38	-1.0	-49.81	332.75	5.36	-44.45
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=CC=NN21	REAL300020239919	1	38	-1.0	-49.78	332.69	5.34	-44.44
O=C(NC1=CC=CC2=CC=NN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239920	0	38	-1.0	-43.45	309.10	4.79	-38.66
O=C(NC1=CC=CC2=CC=NN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239920	1	38	-1.0	-43.41	309.05	4.78	-38.63
CSCC[C@H](NC(=O)NC1=CC=CC2=CC=NN21)C1=NN=N[N-]1	REAL300020239921	0	38	-1.0	-52.68	341.75	3.94	-48.74
CSCC[C@H](NC(=O)NC1=CC=CC2=CC=NN21)C1=N[N-]N=N1	REAL300020239921	1	38	-1.0	-52.71	341.69	3.93	-48.78
O=C(NC1=CC=CC2=CC=NN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020239922	0	41	-1.0	-46.81	322.89	4.96	-41.85
O=C(NC1=CC=CC2=CC=NN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020239922	1	41	-1.0	-46.80	322.77	4.96	-41.84
O=C(NC1=C(Cl)C=CC=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239923	0	35	-1.0	-42.96	316.74	5.46	-37.50
O=C(NC1=C(Cl)C=CC=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239923	1	35	-1.0	-42.95	316.80	5.47	-37.48
O=C(NC1=C(Cl)C=CC=C1Br)N1CCCC1C1=N[N-]N=N1	REAL300020239924	0	32	-1.0	-53.38	309.38	4.97	-48.41
O=C(NC1=C(Cl)C=CC=C1Br)N1CCCC1C1=NN=N[N-]1	REAL300020239924	1	32	-1.0	-53.38	309.44	4.99	-48.39
O=C(NC1=C(Cl)C=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020239925	0	32	-1.0	-44.61	310.74	5.02	-39.59
O=C(NC1=C(Cl)C=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020239925	1	32	-1.0	-44.60	310.82	5.03	-39.57
O=C(NC1=C(Cl)C=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020239926	0	38	-1.0	-48.19	324.90	6.24	-41.95
O=C(NC1=C(Cl)C=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020239926	1	38	-1.0	-48.22	324.95	6.24	-41.98
O=C(NC1=C2SC(C(F)F)=NC2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239927	0	40	-1.0	-44.31	348.57	4.70	-39.61
O=C(NC1=C2SC(C(F)F)=NC2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239927	1	40	-1.0	-44.30	348.63	4.71	-39.59
O=C(NC1=C2SC(C(F)F)=NC2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239928	0	37	-1.0	-50.93	333.84	3.77	-47.16
O=C(NC1=C2SC(C(F)F)=NC2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239928	1	37	-1.0	-50.94	333.90	3.79	-47.15
CSCC[C@H](NC(=O)NC1=C2SC(C(F)F)=NC2=CC=C1)C1=N[N-]N=N1	REAL300020239929	0	40	-1.0	-44.62	377.36	3.73	-40.89
CSCC[C@H](NC(=O)NC1=C2SC(C(F)F)=NC2=CC=C1)C1=NN=N[N-]1	REAL300020239929	1	40	-1.0	-44.62	377.42	3.74	-40.88
O=C(NC1=C2SC(C(F)F)=NC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239930	0	37	-1.0	-42.71	336.11	3.81	-38.90
O=C(NC1=C2SC(C(F)F)=NC2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239930	1	37	-1.0	-42.76	336.19	3.82	-38.94
O=C(NC1=C2SC(C(F)F)=NC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239931	0	43	-1.0	-40.66	360.57	4.81	-35.85
O=C(NC1=C2SC(C(F)F)=NC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239931	1	43	-1.0	-40.65	360.48	4.83	-35.82
COC(=O)C1=C(C2CC2)C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020239932	0	45	-1.0	-43.24	393.65	6.56	-36.68
COC(=O)C1=C(C2CC2)C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020239932	1	45	-1.0	-43.30	393.71	6.58	-36.72
COC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020239933	0	45	-1.0	-44.43	374.42	6.10	-38.33
COC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020239933	1	45	-1.0	-44.44	374.48	6.11	-38.33
COC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020239934	0	42	-1.0	-52.64	359.00	5.21	-47.43
COC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020239934	1	42	-1.0	-52.66	359.06	5.21	-47.45
COC(=O)C1=C(C2CC2)C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020239935	0	45	-1.0	-46.31	402.63	5.15	-41.16
COC(=O)C1=C(C2CC2)C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020239935	1	45	-1.0	-46.32	402.68	5.17	-41.15
COC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020239936	0	42	-1.0	-44.38	360.49	5.24	-39.14
COC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020239936	1	42	-1.0	-44.35	360.56	5.25	-39.10
COC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020239937	0	48	-1.0	-48.99	382.86	7.00	-41.99
COC(=O)C1=C(C2CC2)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020239937	1	48	-1.0	-48.98	382.89	7.01	-41.97
O=C(NC1=NN(C2CCNC2=O)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239938	0	43	-1.0	-48.77	366.69	1.88	-46.89
O=C(NC1=NN(C2CCNC2=O)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239938	1	43	-1.0	-48.78	366.63	1.86	-46.92
O=C(NC1=NN(C2CCNC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239939	0	43	-1.0	-50.14	347.53	1.41	-48.73
O=C(NC1=NN(C2CCNC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239939	1	43	-1.0	-50.13	347.47	1.39	-48.74
O=C(NC1=NN(C2CCNC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239940	0	40	-1.0	-59.57	332.04	0.49	-59.08
O=C(NC1=NN(C2CCNC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239940	1	40	-1.0	-59.55	331.98	0.47	-59.08
CSCC[C@H](NC(=O)NC1=NN(C2CCNC2=O)C=C1)C1=NN=N[N-]1	REAL300020239941	0	43	-1.0	-54.76	375.66	0.46	-54.30
CSCC[C@H](NC(=O)NC1=NN(C2CCNC2=O)C=C1)C1=N[N-]N=N1	REAL300020239941	1	43	-1.0	-54.82	375.61	0.44	-54.38
O=C(NC1=NN(C2CCNC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239942	0	40	-1.0	-50.04	333.52	0.55	-49.49
O=C(NC1=NN(C2CCNC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239942	1	40	-1.0	-50.01	333.45	0.54	-49.47
O=C(NC1=NN(C2CCNC2=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239943	0	46	-1.0	-59.01	355.52	2.28	-56.73
O=C(NC1=NN(C2CCNC2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239943	1	46	-1.0	-58.99	355.47	2.26	-56.73
COC(=O)C1=CSC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239944	0	41	-1.0	-45.33	365.27	5.36	-39.97
COC(=O)C1=CSC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239944	1	41	-1.0	-45.37	365.21	5.33	-40.04
COC(=O)C1=CSC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239945	0	41	-1.0	-47.79	346.62	4.87	-42.92
COC(=O)C1=CSC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239945	1	41	-1.0	-47.78	346.67	4.89	-42.89
COC(=O)C1=CSC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239946	0	38	-1.0	-54.19	332.74	3.80	-50.39
COC(=O)C1=CSC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239946	1	38	-1.0	-54.15	332.80	3.83	-50.32
COC(=O)C1=CSC(C)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020239947	0	41	-1.0	-51.99	376.42	3.77	-48.22
COC(=O)C1=CSC(C)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020239947	1	41	-1.0	-51.95	376.48	3.78	-48.17
COC(=O)C1=CSC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239948	0	38	-1.0	-44.78	332.90	4.02	-40.76
COC(=O)C1=CSC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239948	1	38	-1.0	-44.73	332.97	4.04	-40.69
COC(=O)C1=CSC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239949	0	44	-1.0	-52.82	351.39	4.74	-48.08
COC(=O)C1=CSC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239949	1	44	-1.0	-52.84	351.44	4.74	-48.10
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239950	0	39	-2.0	-85.72	357.75	2.81	-82.91
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239950	1	39	-2.0	-85.71	357.70	2.79	-82.92
O=C(NC1=NC2=CC3=C(C=C2S1)OCO3)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239950	1	40	-1.0	-41.81	361.01	4.00	-37.81
O=C(NC1=NC2=CC3=C(C=C2S1)OCO3)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239950	1	40	-1.0	-41.84	360.95	3.97	-37.87
O=C(NC1=NC2=CC3=C(C=C2S1)OCO3)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239951	0	40	-1.0	-49.36	343.92	3.96	-45.40
O=C(NC1=NC2=CC3=C(C=C2S1)OCO3)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239951	1	40	-1.0	-49.32	343.86	3.95	-45.37
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239951	1	39	-2.0	-87.88	340.77	2.69	-85.19
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239951	1	39	-2.0	-87.86	340.71	2.68	-85.18
O=C(NC1=NC2=CC3=C(C=C2S1)OCO3)N1CCCC1C1=NN=N[N-]1	REAL300020239952	0	37	-1.0	-49.76	326.36	2.61	-47.15
O=C(NC1=NC2=CC3=C(C=C2S1)OCO3)N1CCCC1C1=N[N-]N=N1	REAL300020239952	1	37	-1.0	-49.75	326.30	2.60	-47.15
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCCC1C1=N[N-]N=N1	REAL300020239952	1	36	-2.0	-107.29	324.91	1.55	-105.74
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCCC1C1=NN=N[N-]1	REAL300020239952	1	36	-2.0	-107.30	324.97	1.58	-105.72
CSCC[C@H](NC(=O)NC1=NC2=CC3=C(C=C2S1)OCO3)C1=NN=N[N-]1	REAL300020239953	0	40	-1.0	-44.38	369.99	2.58	-41.80
CSCC[C@H](NC(=O)NC1=NC2=CC3=C(C=C2S1)OCO3)C1=N[N-]N=N1	REAL300020239953	1	40	-1.0	-44.39	369.93	2.57	-41.82
CSCC[C@H](NC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C1=N[N-]N=N1	REAL300020239953	1	39	-2.0	-98.12	366.70	1.36	-96.76
CSCC[C@H](NC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C1=NN=N[N-]1	REAL300020239953	1	39	-2.0	-98.14	366.76	1.38	-96.76
O=C(NC1=NC2=CC3=C(C=C2S1)OCO3)N1CCC(C2=NN=N[N-]2)C1	REAL300020239954	0	37	-1.0	-49.86	329.92	3.10	-46.76
O=C(NC1=NC2=CC3=C(C=C2S1)OCO3)N1CCC(C2=N[N-]N=N2)C1	REAL300020239954	1	37	-1.0	-49.87	329.85	3.09	-46.78
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCC(C2=NN=N[N-]2)C1	REAL300020239954	1	36	-2.0	-94.26	327.80	2.05	-92.21
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCC(C2=N[N-]N=N2)C1	REAL300020239954	1	36	-2.0	-94.29	327.72	2.05	-92.24
O=C(NC1=NC2=CC3=C(C=C2S1)OCO3)N1CCCCC1CC1=NN=N[N-]1	REAL300020239955	0	43	-1.0	-46.88	350.06	4.39	-42.49
O=C(NC1=NC2=CC3=C(C=C2S1)OCO3)N1CCCCC1CC1=N[N-]N=N1	REAL300020239955	1	43	-1.0	-46.89	350.02	4.37	-42.52
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCCCC1CC1=NN=N[N-]1	REAL300020239955	1	42	-2.0	-92.47	354.03	3.27	-89.20
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCCCC1CC1=N[N-]N=N1	REAL300020239955	1	42	-2.0	-92.47	353.97	3.25	-89.22
O=C(NC1=CC=C2NC(=O)C(F)(F)C2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239956	0	40	-1.0	-49.51	358.18	3.32	-46.19
O=C(NC1=CC=C2NC(=O)C(F)(F)C2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239956	1	40	-1.0	-49.50	358.13	3.30	-46.20
O=C(NC1=CC=C2NC(=O)C(F)(F)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239957	0	40	-1.0	-44.16	339.04	2.83	-41.33
O=C(NC1=CC=C2NC(=O)C(F)(F)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239957	1	40	-1.0	-44.14	339.10	2.84	-41.30
O=C(NC1=CC=C2NC(=O)C(F)(F)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239958	0	37	-1.0	-50.66	323.39	1.96	-48.70
O=C(NC1=CC=C2NC(=O)C(F)(F)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239958	1	37	-1.0	-50.69	323.44	1.97	-48.72
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)C(F)(F)C2=C1)C1=N[N-]N=N1	REAL300020239959	0	40	-1.0	-57.28	366.90	1.92	-55.36
CSCC[C@H](NC(=O)NC1=CC=C2NC(=O)C(F)(F)C2=C1)C1=NN=N[N-]1	REAL300020239959	1	40	-1.0	-57.30	366.96	1.94	-55.36
O=C(NC1=CC=C2NC(=O)C(F)(F)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239960	0	37	-1.0	-52.10	324.78	2.02	-50.08
O=C(NC1=CC=C2NC(=O)C(F)(F)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239960	1	37	-1.0	-52.11	324.85	2.02	-50.09
O=C(NC1=CC=C2NC(=O)C(F)(F)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239961	0	43	-1.0	-40.23	351.41	3.01	-37.22
O=C(NC1=CC=C2NC(=O)C(F)(F)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239961	1	43	-1.0	-40.24	351.49	3.03	-37.21
CCN1N=C(C(C)(C)C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239962	0	50	-1.0	-43.05	407.31	6.82	-36.23
CCN1N=C(C(C)(C)C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239962	1	50	-1.0	-43.03	407.25	6.79	-36.24
CCN1N=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239963	0	50	-1.0	-44.58	388.13	6.35	-38.23
CCN1N=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239963	1	50	-1.0	-44.55	388.07	6.33	-38.22
CCN1N=C(C(C)(C)C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239964	0	47	-1.0	-55.00	372.67	5.42	-49.58
CCN1N=C(C(C)(C)C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239964	1	47	-1.0	-55.00	372.61	5.42	-49.58
CCN1N=C(C(C)(C)C)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020239965	0	50	-1.0	-47.82	416.28	5.39	-42.43
CCN1N=C(C(C)(C)C)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020239965	1	50	-1.0	-47.76	416.23	5.38	-42.38
CCN1N=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239966	0	47	-1.0	-44.87	374.15	5.49	-39.38
CCN1N=C(C(C)(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239966	1	47	-1.0	-44.89	374.07	5.47	-39.42
CCN1N=C(C(C)(C)C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239967	0	53	-1.0	-51.99	396.07	7.21	-44.78
CCN1N=C(C(C)(C)C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239967	1	53	-1.0	-51.92	396.04	7.20	-44.72
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239968	0	46	-1.0	-46.43	386.18	4.37	-42.06
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239968	1	46	-1.0	-46.39	386.12	4.34	-42.05
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239969	0	46	-1.0	-52.00	367.28	3.83	-48.17
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239969	1	46	-1.0	-51.98	367.34	3.85	-48.13
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239970	0	43	-1.0	-55.45	352.08	2.87	-52.58
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239970	1	43	-1.0	-55.46	352.14	2.88	-52.58
CSCC[C@H](NC(=O)NC1=CC=C(C2CCC(=O)N2)C=C1)C1=N[N-]N=N1	REAL300020239971	0	46	-1.0	-50.67	395.61	2.84	-47.83
CSCC[C@H](NC(=O)NC1=CC=C(C2CCC(=O)N2)C=C1)C1=NN=N[N-]1	REAL300020239971	1	46	-1.0	-50.70	395.66	2.86	-47.84
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239972	0	43	-1.0	-48.02	353.47	2.89	-45.13
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239972	1	43	-1.0	-48.00	353.54	2.91	-45.09
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239973	0	49	-1.0	-45.26	379.87	3.99	-41.27
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239973	1	49	-1.0	-45.24	379.95	4.00	-41.24
CCC1=CC=C(C(=O)OC)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239974	0	47	-1.0	-48.63	395.83	7.12	-41.51
CCC1=CC=C(C(=O)OC)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239974	1	47	-1.0	-48.62	395.77	7.10	-41.52
CCC1=CC=C(C(=O)OC)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239975	0	47	-1.0	-51.45	376.27	6.63	-44.82
CCC1=CC=C(C(=O)OC)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239975	1	47	-1.0	-51.50	376.32	6.64	-44.86
CCC1=CC=C(C(=O)OC)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020239976	0	44	-1.0	-67.35	361.95	5.71	-61.64
CCC1=CC=C(C(=O)OC)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020239976	1	44	-1.0	-67.39	362.01	5.73	-61.66
CCC1=CC=C(C(=O)OC)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020239977	0	47	-1.0	-53.59	405.46	5.68	-47.91
CCC1=CC=C(C(=O)OC)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020239977	1	47	-1.0	-53.61	405.52	5.70	-47.91
CCC1=CC=C(C(=O)OC)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020239978	0	44	-1.0	-52.36	362.61	5.71	-46.65
CCC1=CC=C(C(=O)OC)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020239978	1	44	-1.0	-52.31	362.68	5.72	-46.59
CCC1=CC=C(C(=O)OC)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020239979	0	50	-1.0	-58.01	386.34	7.42	-50.59
CCC1=CC=C(C(=O)OC)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020239979	1	50	-1.0	-58.06	386.41	7.42	-50.64
O=C(NC1=CN(C2CCNC2=O)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239980	0	43	-1.0	-49.31	366.91	0.88	-48.43
O=C(NC1=CN(C2CCNC2=O)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239980	1	43	-1.0	-49.31	366.85	0.86	-48.45
O=C(NC1=CN(C2CCNC2=O)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239981	0	43	-1.0	-50.26	347.71	0.41	-49.85
O=C(NC1=CN(C2CCNC2=O)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239981	1	43	-1.0	-50.24	347.65	0.39	-49.85
O=C(NC1=CN(C2CCNC2=O)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239982	0	40	-1.0	-62.27	332.27	-0.50	-62.77
O=C(NC1=CN(C2CCNC2=O)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239982	1	40	-1.0	-62.30	332.21	-0.51	-62.81
CSCC[C@H](NC(=O)NC1=CN(C2CCNC2=O)N=C1)C1=NN=N[N-]1	REAL300020239983	0	43	-1.0	-53.21	375.89	-0.53	-53.74
CSCC[C@H](NC(=O)NC1=CN(C2CCNC2=O)N=C1)C1=N[N-]N=N1	REAL300020239983	1	43	-1.0	-53.23	375.83	-0.55	-53.78
O=C(NC1=CN(C2CCNC2=O)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239984	0	40	-1.0	-51.12	333.78	-0.46	-51.58
O=C(NC1=CN(C2CCNC2=O)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239984	1	40	-1.0	-51.11	333.71	-0.47	-51.58
O=C(NC1=CN(C2CCNC2=O)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239985	0	46	-1.0	-59.25	355.72	1.30	-57.95
O=C(NC1=CN(C2CCNC2=O)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239985	1	46	-1.0	-59.25	355.68	1.29	-57.96
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239986	0	45	-1.0	-55.64	393.19	6.47	-49.17
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239986	1	45	-1.0	-55.63	393.14	6.45	-49.18
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239987	0	45	-1.0	-49.59	373.97	5.99	-43.60
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239987	1	45	-1.0	-49.58	373.92	5.98	-43.60
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239988	0	42	-1.0	-61.28	358.52	5.08	-56.20
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239988	1	42	-1.0	-61.28	358.47	5.07	-56.21
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300020239989	0	45	-1.0	-53.42	402.15	5.06	-48.36
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300020239989	1	45	-1.0	-53.40	402.09	5.04	-48.36
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239990	0	42	-1.0	-50.60	360.01	5.13	-45.47
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239990	1	42	-1.0	-50.58	359.94	5.11	-45.47
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020239991	0	48	-1.0	-56.75	381.98	6.89	-49.86
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020239991	1	48	-1.0	-56.75	381.94	6.88	-49.87
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=NC=CN21	REAL300020239992	0	38	-1.0	-50.64	329.52	5.90	-44.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=NC=CN21	REAL300020239992	1	38	-1.0	-50.65	329.46	5.88	-44.77
O=C(NC1=CC=CC2=NC=CN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239993	0	38	-1.0	-43.82	307.12	5.52	-38.30
O=C(NC1=CC=CC2=NC=CN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239993	1	38	-1.0	-43.85	307.18	5.53	-38.32
CSCC[C@H](NC(=O)NC1=CC=CC2=NC=CN21)C1=N[N-]N=N1	REAL300020239994	0	38	-1.0	-49.63	339.24	4.36	-45.27
CSCC[C@H](NC(=O)NC1=CC=CC2=NC=CN21)C1=NN=N[N-]1	REAL300020239994	1	38	-1.0	-49.69	339.29	4.38	-45.31
O=C(NC1=CC=CC2=NC=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020239995	0	41	-1.0	-47.37	315.25	6.54	-40.83
O=C(NC1=CC=CC2=NC=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020239995	1	41	-1.0	-47.39	315.29	6.55	-40.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2=CN=CN=C2)=C1	REAL300020239996	0	43	-1.0	-52.48	367.03	6.29	-46.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2=CN=CN=C2)=C1	REAL300020239996	1	43	-1.0	-52.49	366.98	6.27	-46.22
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239997	0	43	-1.0	-45.70	348.42	5.72	-39.98
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239997	1	43	-1.0	-45.69	348.36	5.70	-39.99
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020239998	0	40	-1.0	-54.19	333.04	4.81	-49.38
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020239998	1	40	-1.0	-54.19	332.99	4.80	-49.39
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CN=CN=C2)=C1)C1=NN=N[N-]1	REAL300020239999	0	43	-1.0	-49.28	376.53	4.78	-44.50
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CN=CN=C2)=C1)C1=N[N-]N=N1	REAL300020239999	1	43	-1.0	-49.27	376.47	4.77	-44.50
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240000	0	40	-1.0	-45.90	334.39	4.88	-41.02
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240000	1	40	-1.0	-45.90	334.32	4.86	-41.04
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240001	0	46	-1.0	-43.04	362.74	5.94	-37.10
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240001	1	46	-1.0	-43.03	362.68	5.92	-37.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2=CC=CN=C2)=C1	REAL300020240002	0	44	-1.0	-54.62	372.39	6.44	-48.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2=CC=CN=C2)=C1	REAL300020240002	1	44	-1.0	-54.59	372.33	6.42	-48.17
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240003	0	44	-1.0	-46.44	353.16	5.99	-40.45
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240003	1	44	-1.0	-46.42	353.10	5.97	-40.45
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240004	0	41	-1.0	-55.13	338.03	5.02	-50.11
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240004	1	41	-1.0	-55.13	337.97	5.00	-50.13
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CC=CN=C2)=C1)C1=NN=N[N-]1	REAL300020240005	0	44	-1.0	-49.61	381.56	4.99	-44.62
CSCC[C@H](NC(=O)NC1=CC=CC(C2=CC=CN=C2)=C1)C1=N[N-]N=N1	REAL300020240005	1	44	-1.0	-49.60	381.50	4.97	-44.63
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240006	0	41	-1.0	-45.89	339.16	5.10	-40.79
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240006	1	41	-1.0	-45.89	339.08	5.09	-40.80
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240007	0	47	-1.0	-46.05	367.77	6.15	-39.90
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240007	1	47	-1.0	-46.00	367.72	6.12	-39.88
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN=C1OC(F)F	REAL300020240008	0	41	-1.0	-54.68	361.43	2.95	-51.73
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN=C1OC(F)F	REAL300020240008	1	41	-1.0	-54.62	361.38	2.93	-51.69
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1OC(F)F	REAL300020240009	0	41	-1.0	-50.50	342.45	2.40	-48.10
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN=C1OC(F)F	REAL300020240009	1	41	-1.0	-50.48	342.40	2.38	-48.10
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN=C1OC(F)F	REAL300020240010	0	38	-1.0	-54.33	327.18	1.55	-52.78
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN=C1OC(F)F	REAL300020240010	1	38	-1.0	-54.42	327.12	1.53	-52.89
CSCC[C@H](NC(=O)NC1=CN=C(OC(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300020240011	0	41	-1.0	-48.55	370.65	1.50	-47.05
CSCC[C@H](NC(=O)NC1=CN=C(OC(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300020240011	1	41	-1.0	-48.57	370.59	1.48	-47.09
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1OC(F)F	REAL300020240012	0	38	-1.0	-46.00	328.29	1.62	-44.38
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1OC(F)F	REAL300020240012	1	38	-1.0	-45.96	328.22	1.60	-44.36
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1OC(F)F	REAL300020240013	0	44	-1.0	-56.05	350.44	3.31	-52.74
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1OC(F)F	REAL300020240013	1	44	-1.0	-56.08	350.38	3.30	-52.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1(C(F)(F)F)CCCC1	REAL300020240014	0	41	-1.0	-42.41	341.39	4.64	-37.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1(C(F)(F)F)CCCC1	REAL300020240014	1	41	-1.0	-42.39	341.45	4.66	-37.73
O=C(NC1(C(F)(F)F)CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240015	0	41	-1.0	-42.88	321.75	4.25	-38.63
O=C(NC1(C(F)(F)F)CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240015	1	41	-1.0	-42.85	321.81	4.26	-38.59
O=C(NC1(C(F)(F)F)CCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020240016	0	38	-1.0	-56.26	306.75	3.30	-52.96
O=C(NC1(C(F)(F)F)CCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020240016	1	38	-1.0	-56.31	306.81	3.32	-52.99
CSCC[C@H](NC(=O)NC1(C(F)(F)F)CCCC1)C1=N[N-]N=N1	REAL300020240017	0	41	-1.0	-46.42	350.43	3.24	-43.18
CSCC[C@H](NC(=O)NC1(C(F)(F)F)CCCC1)C1=NN=N[N-]1	REAL300020240017	1	41	-1.0	-46.42	350.49	3.26	-43.16
O=C(NC1(C(F)(F)F)CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240018	0	38	-1.0	-44.26	308.29	3.34	-40.92
O=C(NC1(C(F)(F)F)CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240018	1	38	-1.0	-44.28	308.36	3.35	-40.93
O=C(NC1(C(F)(F)F)CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240019	0	44	-1.0	-51.88	326.54	5.29	-46.59
O=C(NC1(C(F)(F)F)CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240019	1	44	-1.0	-51.87	326.56	5.31	-46.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(Cl)C(F)=C1	REAL300020240020	0	34	-1.0	-53.75	320.73	3.50	-50.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(Cl)C(F)=C1	REAL300020240020	1	34	-1.0	-53.76	320.67	3.48	-50.28
O=C(NC1=CN=C(Cl)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240021	0	34	-1.0	-43.30	301.99	3.02	-40.28
O=C(NC1=CN=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240021	1	34	-1.0	-43.30	301.93	3.00	-40.30
O=C(NC1=CN=C(Cl)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240022	0	31	-1.0	-50.37	286.48	2.10	-48.27
O=C(NC1=CN=C(Cl)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240022	1	31	-1.0	-50.41	286.43	2.09	-48.32
CSCC[C@H](NC(=O)NC1=CN=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300020240023	0	34	-1.0	-44.55	329.76	2.09	-42.46
CSCC[C@H](NC(=O)NC1=CN=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300020240023	1	34	-1.0	-44.55	329.71	2.07	-42.48
O=C(NC1=CN=C(Cl)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240024	0	31	-1.0	-43.25	287.59	2.17	-41.08
O=C(NC1=CN=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240024	1	31	-1.0	-43.24	287.52	2.16	-41.08
O=C(NC1=CN=C(Cl)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240025	0	37	-1.0	-46.97	309.74	3.89	-43.08
O=C(NC1=CN=C(Cl)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240025	1	37	-1.0	-46.94	309.69	3.89	-43.05
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C1CC1(F)F	REAL300020240026	0	42	-1.0	-45.86	361.86	7.24	-38.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C1CC1(F)F	REAL300020240026	1	42	-1.0	-45.86	361.80	7.22	-38.64
O=C(NC1=CC=CC=C1C1CC1(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240027	0	42	-1.0	-45.09	342.83	6.70	-38.39
O=C(NC1=CC=CC=C1C1CC1(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240027	1	42	-1.0	-45.09	342.88	6.72	-38.37
O=C(NC1=CC=CC=C1C1CC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240028	0	39	-1.0	-52.98	326.51	5.75	-47.23
O=C(NC1=CC=CC=C1C1CC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240028	1	39	-1.0	-52.99	326.57	5.77	-47.22
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1CC1(F)F)C1=N[N-]N=N1	REAL300020240029	0	42	-1.0	-46.38	371.03	5.75	-40.63
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1CC1(F)F)C1=NN=N[N-]1	REAL300020240029	1	42	-1.0	-46.39	371.08	5.77	-40.62
O=C(NC1=CC=CC=C1C1CC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240030	0	39	-1.0	-44.72	328.91	5.84	-38.88
O=C(NC1=CC=CC=C1C1CC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240030	1	39	-1.0	-44.73	328.98	5.85	-38.88
O=C(NC1=CC=CC=C1C1CC1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240031	0	45	-1.0	-39.43	351.94	6.81	-32.62
O=C(NC1=CC=CC=C1C1CC1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240031	1	45	-1.0	-39.41	351.99	6.82	-32.59
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(C(F)F)=C(Cl)C=N1	REAL300020240032	0	37	-1.0	-44.65	344.34	5.73	-38.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(C(F)F)=C(Cl)C=N1	REAL300020240032	1	37	-1.0	-44.65	344.40	5.76	-38.89
O=C(NC1=CC(C(F)F)=C(Cl)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240033	0	37	-1.0	-45.29	328.36	5.33	-39.96
O=C(NC1=CC(C(F)F)=C(Cl)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240033	1	37	-1.0	-45.26	328.41	5.35	-39.91
O=C(NC1=CC(C(F)F)=C(Cl)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020240034	0	34	-1.0	-56.74	309.82	4.35	-52.39
O=C(NC1=CC(C(F)F)=C(Cl)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020240034	1	34	-1.0	-56.76	309.88	4.37	-52.39
CSCC[C@H](NC(=O)NC1=CC(C(F)F)=C(Cl)C=N1)C1=N[N-]N=N1	REAL300020240035	0	37	-1.0	-47.74	356.46	4.38	-43.36
CSCC[C@H](NC(=O)NC1=CC(C(F)F)=C(Cl)C=N1)C1=NN=N[N-]1	REAL300020240035	1	37	-1.0	-47.76	356.52	4.40	-43.36
O=C(NC1=CC(C(F)F)=C(Cl)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240036	0	34	-1.0	-45.15	314.29	4.47	-40.68
O=C(NC1=CC(C(F)F)=C(Cl)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240036	1	34	-1.0	-45.16	314.37	4.48	-40.68
O=C(NC1=CC(C(F)F)=C(Cl)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240037	0	40	-1.0	-41.72	340.47	4.96	-36.76
O=C(NC1=CC(C(F)F)=C(Cl)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240037	1	40	-1.0	-41.68	340.53	4.96	-36.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)N[C@@H](C1CC1)C(F)(F)F	REAL300020240038	0	38	-1.0	-46.97	332.77	4.38	-42.59
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)N[C@@H](C1CC1)C(F)(F)F	REAL300020240038	1	38	-1.0	-46.97	332.71	4.35	-42.62
O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240039	0	38	-1.0	-41.67	313.22	3.93	-37.74
O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240039	1	38	-1.0	-41.68	313.28	3.94	-37.74
O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240040	0	35	-1.0	-51.29	298.12	2.97	-48.32
O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240040	1	35	-1.0	-51.31	298.18	3.00	-48.31
CSCC[C@H](NC(=O)N[C@@H](C1CC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020240041	0	38	-1.0	-44.60	341.67	2.94	-41.66
CSCC[C@H](NC(=O)N[C@@H](C1CC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020240041	1	38	-1.0	-44.57	341.73	2.95	-41.62
O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240042	0	35	-1.0	-43.53	299.53	3.03	-40.50
O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240042	1	35	-1.0	-43.53	299.60	3.05	-40.48
O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240043	0	41	-1.0	-46.87	322.40	4.78	-42.09
O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240043	1	41	-1.0	-46.83	322.45	4.79	-42.04
O=C(NC1=CC=CC(C2=NNC3=C2COCC3)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240044	0	50	-1.0	-51.95	393.84	4.17	-47.78
O=C(NC1=CC=CC(C2=NNC3=C2COCC3)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240044	1	50	-1.0	-51.91	393.89	4.18	-47.73
O=C(NC1=CC=CC(C2=NNC3=C2COCC3)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240045	0	47	-1.0	-65.20	378.74	3.22	-61.98
O=C(NC1=CC=CC(C2=NNC3=C2COCC3)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240045	1	47	-1.0	-65.17	378.80	3.24	-61.93
O=C(NC1=CC=CC(C2=NNC3=C2COCC3)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240046	0	47	-1.0	-54.16	380.09	3.27	-50.89
O=C(NC1=CC=CC(C2=NNC3=C2COCC3)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240046	1	47	-1.0	-54.15	380.17	3.28	-50.87
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)N[C@H](C1CC1)C(F)(F)F	REAL300020240047	0	38	-1.0	-41.35	325.96	4.20	-37.15
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)N[C@H](C1CC1)C(F)(F)F	REAL300020240047	1	38	-1.0	-41.30	325.90	4.17	-37.13
O=C(N[C@H](C1CC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240048	0	38	-1.0	-43.65	306.99	3.70	-39.95
O=C(N[C@H](C1CC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240048	1	38	-1.0	-43.70	307.04	3.72	-39.98
O=C(N[C@H](C1CC1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240049	0	35	-1.0	-50.75	291.26	2.79	-47.96
O=C(N[C@H](C1CC1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240049	1	35	-1.0	-50.75	291.31	2.81	-47.94
CSCC[C@H](NC(=O)N[C@H](C1CC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020240050	0	38	-1.0	-47.90	334.87	2.76	-45.14
CSCC[C@H](NC(=O)N[C@H](C1CC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020240050	1	38	-1.0	-47.94	334.93	2.77	-45.17
O=C(N[C@H](C1CC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240051	0	35	-1.0	-42.74	292.75	2.86	-39.88
O=C(N[C@H](C1CC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240051	1	35	-1.0	-42.81	292.82	2.87	-39.94
O=C(N[C@H](C1CC1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240052	0	41	-1.0	-46.59	314.94	4.65	-41.94
O=C(N[C@H](C1CC1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240052	1	41	-1.0	-46.63	315.00	4.65	-41.98
O=C([N-]C1=NC=C(C2CCCCO2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240053	0	44	-2.0	-92.78	383.13	4.10	-88.68
O=C([N-]C1=NC=C(C2CCCCO2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240053	1	44	-2.0	-92.77	383.08	4.08	-88.69
O=C(NC1=NC=C(C2CCCCO2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240053	1	45	-1.0	-53.07	386.41	5.31	-47.76
O=C(NC1=NC=C(C2CCCCO2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240053	1	45	-1.0	-53.05	386.35	5.28	-47.77
O=C(NC1=NC=C(C2CCCCO2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240054	0	45	-1.0	-47.40	367.19	4.81	-42.59
O=C(NC1=NC=C(C2CCCCO2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240054	1	45	-1.0	-47.40	367.13	4.80	-42.60
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240054	1	44	-2.0	-94.93	366.14	3.98	-90.95
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240054	1	44	-2.0	-94.95	366.08	3.96	-90.99
O=C(NC1=NC=C(C2CCCCO2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020240055	0	42	-1.0	-58.39	351.76	3.92	-54.47
O=C(NC1=NC=C(C2CCCCO2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020240055	1	42	-1.0	-58.35	351.70	3.89	-54.46
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020240055	1	41	-2.0	-117.87	350.30	2.85	-115.02
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020240055	1	41	-2.0	-117.85	350.35	2.87	-114.98
CSCC[C@H](NC(=O)NC1=NC=C(C2CCCCO2)S1)C1=NN=N[N-]1	REAL300020240056	0	45	-1.0	-51.01	395.38	3.88	-47.13
CSCC[C@H](NC(=O)NC1=NC=C(C2CCCCO2)S1)C1=N[N-]N=N1	REAL300020240056	1	45	-1.0	-50.99	395.32	3.87	-47.12
CSCC[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=N[N-]N=N1	REAL300020240056	1	44	-2.0	-107.99	392.06	2.67	-105.32
CSCC[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=NN=N[N-]1	REAL300020240056	1	44	-2.0	-108.01	392.12	2.68	-105.33
O=C(NC1=NC=C(C2CCCCO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240057	0	42	-1.0	-47.46	353.22	3.98	-43.48
O=C(NC1=NC=C(C2CCCCO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240057	1	42	-1.0	-47.49	353.15	3.97	-43.52
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240057	1	41	-2.0	-96.41	351.10	2.92	-93.49
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240057	1	41	-2.0	-96.40	351.03	2.91	-93.49
O=C(NC1=NC=C(C2CCCCO2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240058	0	48	-1.0	-54.15	375.44	5.68	-48.47
O=C(NC1=NC=C(C2CCCCO2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240058	1	48	-1.0	-54.12	375.38	5.67	-48.45
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240058	1	47	-2.0	-114.51	374.67	4.84	-109.67
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240058	1	47	-2.0	-114.47	374.62	4.83	-109.64
O=C([N-]C1=NC2=C(CCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240059	0	37	-2.0	-95.05	332.22	4.18	-90.87
O=C(NC1=NC2=C(CCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240059	1	38	-1.0	-47.03	335.48	5.39	-41.64
O=C([N-]C1=NC2=C(CCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240059	1	37	-2.0	-95.04	332.16	4.15	-90.89
O=C(NC1=NC2=C(CCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240059	1	38	-1.0	-47.02	335.42	5.36	-41.66
O=C(NC1=NC2=C(CCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240060	0	38	-1.0	-43.63	314.19	4.50	-39.13
O=C(NC1=NC2=C(CCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240060	1	38	-1.0	-43.64	314.25	4.51	-39.13
O=C(NC1=NC2=C(CCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020240061	0	35	-1.0	-61.42	300.77	3.98	-57.44
O=C(NC1=NC2=C(CCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020240061	1	35	-1.0	-61.44	300.83	3.99	-57.45
CSCC[C@H](NC(=O)NC1=NC2=C(CCC2)S1)C1=N[N-]N=N1	REAL300020240062	0	38	-1.0	-53.47	344.40	3.95	-49.52
CSCC[C@H](NC(=O)NC1=NC2=C(CCC2)S1)C1=NN=N[N-]1	REAL300020240062	1	38	-1.0	-53.46	344.46	3.96	-49.50
O=C(NC1=NC2=C(CCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240063	0	35	-1.0	-42.22	300.19	3.64	-38.58
O=C(NC1=NC2=C(CCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240063	1	35	-1.0	-42.20	300.26	3.66	-38.54
O=C(NC1=NC2=C(CCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240064	0	41	-1.0	-56.80	324.47	5.75	-51.05
O=C(NC1=NC2=C(CCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240064	1	41	-1.0	-56.85	324.52	5.76	-51.09
CCC1=CC(C#N)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240065	0	42	-1.0	-41.70	362.30	6.90	-34.80
CCC1=CC(C#N)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240065	1	42	-1.0	-41.69	362.24	6.87	-34.82
CCC1=CC(C#N)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240066	0	42	-1.0	-42.87	343.23	6.36	-36.51
CCC1=CC(C#N)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240066	1	42	-1.0	-42.90	343.28	6.38	-36.52
CCC1=CC(C#N)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240067	0	39	-1.0	-51.03	327.25	5.40	-45.63
CCC1=CC(C#N)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240067	1	39	-1.0	-51.05	327.30	5.42	-45.63
CCC1=CC(C#N)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020240068	0	42	-1.0	-44.77	370.78	5.37	-39.40
CCC1=CC(C#N)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020240068	1	42	-1.0	-44.75	370.84	5.38	-39.37
CCC1=CC(C#N)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240069	0	39	-1.0	-43.27	328.59	5.46	-37.81
CCC1=CC(C#N)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240069	1	39	-1.0	-43.30	328.67	5.48	-37.82
CCC1=CC(C#N)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240070	0	45	-1.0	-48.27	351.08	7.31	-40.96
CCC1=CC(C#N)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240070	1	45	-1.0	-48.29	351.13	7.31	-40.98
O=C(NC1=C(Br)C=CC2=NC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300020240071	0	37	-1.0	-53.01	333.50	4.94	-48.07
O=C(NC1=C(Br)C=CC2=NC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300020240071	1	37	-1.0	-52.95	333.44	4.92	-48.03
O=C(NC1=C(Br)C=CC2=NC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020240072	0	37	-1.0	-45.59	334.86	4.97	-40.62
O=C(NC1=C(Br)C=CC2=NC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020240072	1	37	-1.0	-45.59	334.78	4.96	-40.63
O=C([N-]C1=NC2=CC=CN=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240073	0	35	-2.0	-90.72	326.42	2.28	-88.44
O=C([N-]C1=NC2=CC=CN=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240073	1	35	-2.0	-90.74	326.36	2.25	-88.49
O=C(NC1=NC2=CC=CN=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240073	1	36	-1.0	-51.67	329.69	3.46	-48.21
O=C(NC1=NC2=CC=CN=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240073	1	36	-1.0	-51.67	329.63	3.44	-48.23
O=C(NC1=NC2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240074	0	36	-1.0	-46.33	310.48	3.01	-43.32
O=C(NC1=NC2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240074	1	36	-1.0	-46.33	310.42	2.99	-43.34
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240074	1	35	-2.0	-93.02	309.45	2.16	-90.86
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240074	1	35	-2.0	-93.03	309.40	2.14	-90.89
O=C(NC1=NC2=CC=CN=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020240075	0	33	-1.0	-55.17	295.03	2.07	-53.10
O=C(NC1=NC2=CC=CN=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020240075	1	33	-1.0	-55.14	294.97	2.07	-53.07
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020240075	1	32	-2.0	-114.18	293.57	1.04	-113.14
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020240075	1	32	-2.0	-114.17	293.63	1.05	-113.12
CSCC[C@H](NC(=O)NC1=NC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL300020240076	0	36	-1.0	-48.61	338.65	2.05	-46.56
CSCC[C@H](NC(=O)NC1=NC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL300020240076	1	36	-1.0	-48.62	338.59	2.03	-46.59
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL300020240076	1	35	-2.0	-104.46	335.35	0.85	-103.61
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL300020240076	1	35	-2.0	-104.46	335.41	0.86	-103.60
O=C(NC1=NC2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240077	0	33	-1.0	-45.61	296.52	2.13	-43.48
O=C(NC1=NC2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240077	1	33	-1.0	-45.58	296.45	2.11	-43.47
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240077	1	32	-2.0	-93.43	294.39	1.08	-92.35
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240077	1	32	-2.0	-93.44	294.32	1.07	-92.37
O=C(NC1=NC2=CC=CN=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240078	0	39	-1.0	-52.02	318.79	3.86	-48.16
O=C(NC1=NC2=CC=CN=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240078	1	39	-1.0	-51.96	318.76	3.86	-48.10
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240078	1	38	-2.0	-112.16	317.95	3.02	-109.14
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240078	1	38	-2.0	-112.13	317.90	3.01	-109.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1CCCCCCC1(F)F	REAL300020240079	0	47	-1.0	-45.20	362.50	5.59	-39.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1CCCCCCC1(F)F	REAL300020240079	1	47	-1.0	-45.20	362.56	5.62	-39.58
O=C(NC1CCCCCCC1(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240080	0	47	-1.0	-41.53	343.48	5.30	-36.23
O=C(NC1CCCCCCC1(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240080	1	47	-1.0	-41.52	343.54	5.32	-36.20
O=C(NC1CCCCCCC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240081	0	44	-1.0	-49.62	328.20	4.37	-45.25
O=C(NC1CCCCCCC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240081	1	44	-1.0	-49.65	328.26	4.40	-45.25
CSCC[C@H](NC(=O)NC1CCCCCCC1(F)F)C1=N[N-]N=N1	REAL300020240082	0	47	-1.0	-44.44	371.76	4.14	-40.30
CSCC[C@H](NC(=O)NC1CCCCCCC1(F)F)C1=NN=N[N-]1	REAL300020240082	1	47	-1.0	-44.43	371.82	4.15	-40.28
O=C(NC1CCCCCCC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240083	0	44	-1.0	-43.61	329.63	4.26	-39.35
O=C(NC1CCCCCCC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240083	1	44	-1.0	-43.64	329.71	4.27	-39.37
O=C(NC1CCCCCCC1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240084	0	50	-1.0	-45.22	352.19	6.16	-39.06
O=C(NC1CCCCCCC1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240084	1	50	-1.0	-45.29	352.24	6.18	-39.11
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=NSN=C2C=C1	REAL300020240085	0	39	-1.0	-47.62	351.44	4.16	-43.46
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=NSN=C2C=C1	REAL300020240085	1	39	-1.0	-47.67	351.39	4.14	-43.53
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=NSN=C2C=C1	REAL300020240086	0	39	-1.0	-49.72	324.74	3.91	-45.81
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=NSN=C2C=C1	REAL300020240086	1	39	-1.0	-49.76	324.80	3.93	-45.83
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=NSN=C2C=C1	REAL300020240087	0	36	-1.0	-62.05	316.48	2.63	-59.42
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=NSN=C2C=C1	REAL300020240087	1	36	-1.0	-62.06	316.54	2.64	-59.42
CSCC[C@H](NC(=O)NC1=C(C)C=CC2=NSN=C21)C1=N[N-]N=N1	REAL300020240088	0	39	-1.0	-49.57	359.79	2.53	-47.04
CSCC[C@H](NC(=O)NC1=C(C)C=CC2=NSN=C21)C1=NN=N[N-]1	REAL300020240088	1	39	-1.0	-49.55	359.85	2.55	-47.00
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NSN=C2C=C1	REAL300020240089	0	36	-1.0	-49.31	317.63	2.61	-46.70
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NSN=C2C=C1	REAL300020240089	1	36	-1.0	-49.34	317.71	2.63	-46.71
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=NSN=C2C=C1	REAL300020240090	0	42	-1.0	-42.55	330.99	3.99	-38.56
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=NSN=C2C=C1	REAL300020240090	1	42	-1.0	-42.58	331.02	3.99	-38.59
C#CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020240091	0	36	-1.0	-50.60	326.74	5.56	-45.04
C#CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020240091	1	36	-1.0	-50.62	326.68	5.54	-45.08
C#CC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020240092	0	36	-1.0	-57.28	335.68	4.12	-53.16
C#CC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020240092	1	36	-1.0	-57.32	335.74	4.14	-53.18
C#CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020240093	0	39	-1.0	-59.48	315.66	5.95	-53.53
C#CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020240093	1	39	-1.0	-59.44	315.71	5.96	-53.48
C#CC1=CN=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020240094	0	36	-1.0	-43.74	325.49	4.17	-39.57
C#CC1=CN=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020240094	1	36	-1.0	-43.76	325.43	4.15	-39.61
C#CC1=CN=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020240095	0	36	-1.0	-48.67	334.24	2.77	-45.90
C#CC1=CN=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020240095	1	36	-1.0	-48.69	334.29	2.79	-45.90
C#CC1=CN=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020240096	0	39	-1.0	-42.62	318.97	3.87	-38.75
C#CC1=CN=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020240096	1	39	-1.0	-42.63	319.01	3.88	-38.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(N2C=NN=N2)C(F)=C1	REAL300020240097	0	40	-1.0	-55.33	354.82	4.89	-50.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(N2C=NN=N2)C(F)=C1	REAL300020240097	1	40	-1.0	-55.34	354.76	4.87	-50.47
O=C(NC1=CC=C(N2C=NN=N2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240098	0	40	-1.0	-48.03	336.78	4.55	-43.48
O=C(NC1=CC=C(N2C=NN=N2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240098	1	40	-1.0	-48.02	336.72	4.54	-43.48
O=C(NC1=CC=C(N2C=NN=N2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240099	0	37	-1.0	-52.35	320.53	3.48	-48.87
O=C(NC1=CC=C(N2C=NN=N2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240099	1	37	-1.0	-52.38	320.47	3.47	-48.91
CSCC[C@H](NC(=O)NC1=CC=C(N2C=NN=N2)C(F)=C1)C1=NN=N[N-]1	REAL300020240100	0	40	-1.0	-48.45	363.99	3.44	-45.01
CSCC[C@H](NC(=O)NC1=CC=C(N2C=NN=N2)C(F)=C1)C1=N[N-]N=N1	REAL300020240100	1	40	-1.0	-48.43	363.93	3.43	-45.00
O=C(NC1=CC=C(N2C=NN=N2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240101	0	37	-1.0	-46.01	321.60	3.56	-42.45
O=C(NC1=CC=C(N2C=NN=N2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240101	1	37	-1.0	-45.99	321.53	3.55	-42.44
O=C(NC1=CC=C(N2C=NN=N2)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240102	0	43	-1.0	-48.03	343.87	5.29	-42.74
O=C(NC1=CC=C(N2C=NN=N2)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240102	1	43	-1.0	-48.02	343.81	5.27	-42.75
O=C(NC1=CN(C2CCOC2)N=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240103	0	42	-1.0	-46.85	352.96	2.32	-44.53
O=C(NC1=CN(C2CCOC2)N=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240103	1	42	-1.0	-46.83	352.91	2.30	-44.53
O=C(NC1=CN(C2CCOC2)N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240104	0	42	-1.0	-43.41	333.77	1.86	-41.55
O=C(NC1=CN(C2CCOC2)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240104	1	42	-1.0	-43.36	333.71	1.84	-41.52
O=C(NC1=CN(C2CCOC2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020240105	0	39	-1.0	-49.77	318.27	0.94	-48.83
O=C(NC1=CN(C2CCOC2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020240105	1	39	-1.0	-49.76	318.22	0.93	-48.83
CSCC[C@H](NC(=O)NC1=CN(C2CCOC2)N=N1)C1=NN=N[N-]1	REAL300020240106	0	42	-1.0	-44.39	361.93	0.91	-43.48
CSCC[C@H](NC(=O)NC1=CN(C2CCOC2)N=N1)C1=N[N-]N=N1	REAL300020240106	1	42	-1.0	-44.36	361.87	0.89	-43.47
O=C(NC1=CN(C2CCOC2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240107	0	39	-1.0	-41.86	319.77	1.00	-40.86
O=C(NC1=CN(C2CCOC2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240107	1	39	-1.0	-41.85	319.69	0.98	-40.87
O=C(NC1=CN(C2CCOC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240108	0	45	-1.0	-46.02	341.84	2.74	-43.28
O=C(NC1=CN(C2CCOC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240108	1	45	-1.0	-45.99	341.80	2.72	-43.27
O=C(NC1=CC=C(C2CC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240109	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	REAL300020240109	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	REAL300020240110	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	REAL300020240110	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	REAL300020240111	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	REAL300020240111	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	REAL300020240112	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	REAL300020240112	1	45	-1.0	-41.49	345.83	6.57	-34.92
O=C(NC1=CC=C(C2=NNC3=C2COCC3)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240113	0	50	-1.0	-47.73	393.83	4.16	-43.57
O=C(NC1=CC=C(C2=NNC3=C2COCC3)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240113	1	50	-1.0	-47.77	393.88	4.18	-43.59
O=C(NC1=CC=C(C2=NNC3=C2COCC3)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240114	0	47	-1.0	-59.83	378.70	3.20	-56.63
O=C(NC1=CC=C(C2=NNC3=C2COCC3)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240114	1	47	-1.0	-59.83	378.75	3.22	-56.61
O=C(NC1=CC=C(C2=NNC3=C2COCC3)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240115	0	47	-1.0	-50.46	380.08	3.27	-47.19
O=C(NC1=CC=C(C2=NNC3=C2COCC3)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240115	1	47	-1.0	-50.48	380.16	3.27	-47.21
CCC(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020240116	0	42	-2.0	-97.43	363.74	4.26	-93.17
CCC(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020240116	1	42	-2.0	-97.42	363.68	4.24	-93.18
CCC(C)C1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020240116	1	43	-1.0	-40.05	366.99	5.47	-34.58
CCC(C)C1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020240116	1	43	-1.0	-40.03	366.93	5.44	-34.59
CCC(C)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020240117	0	43	-1.0	-41.76	347.72	4.98	-36.78
CCC(C)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020240117	1	43	-1.0	-41.78	347.77	4.99	-36.79
CCC(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020240117	1	42	-2.0	-89.99	346.67	4.14	-85.85
CCC(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020240117	1	42	-2.0	-90.01	346.73	4.16	-85.85
CCC(C)C1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020240118	0	40	-1.0	-48.66	332.30	4.06	-44.60
CCC(C)C1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020240118	1	40	-1.0	-48.68	332.35	4.08	-44.60
CCC(C)C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020240118	1	39	-2.0	-110.00	330.89	3.01	-106.99
CCC(C)C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020240118	1	39	-2.0	-110.00	330.95	3.04	-106.96
CCC(C)C1=CSC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020240119	0	43	-1.0	-42.98	375.91	4.03	-38.95
CCC(C)C1=CSC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020240119	1	43	-1.0	-42.97	375.97	4.05	-38.92
CCC(C)C1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020240119	1	42	-2.0	-100.86	372.66	2.83	-98.03
CCC(C)C1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020240120	0	40	-1.0	-40.36	333.76	4.11	-36.25
CCC(C)C1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020240120	1	40	-1.0	-40.34	333.83	4.13	-36.21
CCC(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020240120	1	39	-2.0	-90.09	331.67	3.07	-87.02
CCC(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020240120	1	39	-2.0	-90.05	331.74	3.09	-86.96
CCC(C)C1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020240121	0	46	-1.0	-45.22	355.99	5.84	-39.38
CCC(C)C1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020240121	1	46	-1.0	-45.23	356.04	5.86	-39.37
CCC(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020240121	1	45	-2.0	-108.35	355.21	5.00	-103.35
CCC(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020240121	1	45	-2.0	-108.34	355.26	5.00	-103.34
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C	REAL300020240122	0	42	-1.0	-53.87	352.86	4.81	-49.06
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C	REAL300020240122	1	42	-1.0	-53.90	352.80	4.78	-49.12
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C	REAL300020240123	0	42	-1.0	-43.90	333.61	4.33	-39.57
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C	REAL300020240123	1	42	-1.0	-43.91	333.66	4.35	-39.56
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020240124	0	39	-1.0	-54.68	318.05	3.45	-51.23
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020240124	1	39	-1.0	-54.71	318.11	3.46	-51.25
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1C	REAL300020240125	0	42	-1.0	-48.11	361.85	3.38	-44.73
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1C	REAL300020240125	1	42	-1.0	-48.08	361.91	3.39	-44.69
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020240126	0	39	-1.0	-44.02	319.43	3.50	-40.52
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020240126	1	39	-1.0	-44.03	319.51	3.51	-40.52
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020240127	0	45	-1.0	-49.29	341.70	5.23	-44.06
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020240127	1	45	-1.0	-49.34	341.75	5.24	-44.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(Cl)C=CC2=NC=CC=C21	REAL300020240128	0	40	-1.0	-44.02	353.49	5.58	-38.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(Cl)C=CC2=NC=CC=C21	REAL300020240128	1	40	-1.0	-43.95	353.44	5.56	-38.39
O=C(NC1=C(Cl)C=CC2=NC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240129	0	40	-1.0	-44.15	336.39	5.25	-38.90
O=C(NC1=C(Cl)C=CC2=NC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240129	1	40	-1.0	-44.16	336.33	5.24	-38.92
O=C(NC1=C(Cl)C=CC2=NC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300020240130	0	37	-1.0	-56.00	329.14	4.78	-51.22
O=C(NC1=C(Cl)C=CC2=NC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300020240130	1	37	-1.0	-56.05	329.08	4.75	-51.30
CSCC[C@H](NC(=O)NC1=C(Cl)C=CC2=NC=CC=C21)C1=NN=N[N-]1	REAL300020240131	0	40	-1.0	-50.13	372.65	4.73	-45.40
CSCC[C@H](NC(=O)NC1=C(Cl)C=CC2=NC=CC=C21)C1=N[N-]N=N1	REAL300020240131	1	40	-1.0	-50.15	372.59	4.71	-45.44
O=C(NC1=C(Cl)C=CC2=NC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020240132	0	37	-1.0	-45.92	330.50	4.82	-41.10
O=C(NC1=C(Cl)C=CC2=NC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020240132	1	37	-1.0	-45.90	330.43	4.81	-41.09
O=C(NC1=C(Cl)C=CC2=NC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020240133	0	43	-1.0	-49.75	348.94	6.11	-43.64
O=C(NC1=C(Cl)C=CC2=NC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020240133	1	43	-1.0	-49.78	348.94	6.10	-43.68
COC(=O)C1=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2N1	REAL300020240134	0	45	-1.0	-50.42	390.91	5.39	-45.03
COC(=O)C1=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2N1	REAL300020240134	1	45	-1.0	-50.46	390.85	5.36	-45.10
COC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2N1	REAL300020240135	0	45	-1.0	-45.42	372.25	4.81	-40.61
COC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2N1	REAL300020240135	1	45	-1.0	-45.42	372.31	4.83	-40.59
COC(=O)C1=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2N1	REAL300020240136	0	42	-1.0	-59.24	356.85	3.90	-55.34
COC(=O)C1=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2N1	REAL300020240136	1	42	-1.0	-59.25	356.91	3.91	-55.34
COC(=O)C1=CC2=CC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C2N1	REAL300020240137	0	45	-1.0	-48.01	400.37	3.87	-44.14
COC(=O)C1=CC2=CC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C2N1	REAL300020240137	1	45	-1.0	-48.02	400.43	3.88	-44.14
COC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020240138	0	42	-1.0	-45.41	357.95	3.99	-41.42
COC(=O)C1=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020240138	1	42	-1.0	-45.42	358.02	4.00	-41.42
COC(=O)C1=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1	REAL300020240139	0	48	-1.0	-44.38	384.50	4.97	-39.41
COC(=O)C1=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1	REAL300020240139	1	48	-1.0	-44.43	384.54	4.99	-39.44
O=C(NC1=CC2=NSN=C2C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240140	0	36	-1.0	-44.25	327.01	3.18	-41.07
O=C(NC1=CC2=NSN=C2C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240140	1	36	-1.0	-44.27	326.95	3.15	-41.12
O=C(NC1=CC2=NSN=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240141	0	36	-1.0	-43.44	308.34	2.63	-40.81
O=C(NC1=CC2=NSN=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240141	1	36	-1.0	-43.40	308.28	2.62	-40.78
O=C(NC1=CC2=NSN=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240142	0	33	-1.0	-51.89	292.70	1.76	-50.13
O=C(NC1=CC2=NSN=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240142	1	33	-1.0	-51.89	292.64	1.75	-50.14
CSCC[C@H](NC(=O)NC1=CC2=NSN=C2C=C1)C1=NN=N[N-]1	REAL300020240143	0	36	-1.0	-45.80	336.57	1.68	-44.12
CSCC[C@H](NC(=O)NC1=CC2=NSN=C2C=C1)C1=N[N-]N=N1	REAL300020240143	1	36	-1.0	-45.75	336.51	1.66	-44.09
O=C(NC1=CC2=NSN=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240144	0	33	-1.0	-43.32	294.12	1.81	-41.51
O=C(NC1=CC2=NSN=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240144	1	33	-1.0	-43.31	294.05	1.80	-41.51
O=C(NC1=CC2=NSN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240145	0	39	-1.0	-42.13	320.57	2.77	-39.36
O=C(NC1=CC2=NSN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240145	1	39	-1.0	-42.15	320.52	2.76	-39.39
CC(C)(C)N1N=C(C2CC2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240146	0	51	-1.0	-43.22	408.93	7.80	-35.42
CC(C)(C)N1N=C(C2CC2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240146	1	51	-1.0	-43.21	408.87	7.78	-35.43
CC(C)(C)N1N=C(C2CC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240147	0	51	-1.0	-45.20	389.73	7.31	-37.89
CC(C)(C)N1N=C(C2CC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240147	1	51	-1.0	-45.23	389.78	7.32	-37.91
CC(C)(C)N1N=C(C2CC2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240148	0	48	-1.0	-56.13	374.25	6.39	-49.74
CC(C)(C)N1N=C(C2CC2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240148	1	48	-1.0	-56.13	374.31	6.41	-49.72
CSCC[C@H](NC(=O)NC1=CC(C2CC2)=NN1C(C)(C)C)C1=N[N-]N=N1	REAL300020240149	0	51	-1.0	-48.41	417.87	6.35	-42.06
CSCC[C@H](NC(=O)NC1=CC(C2CC2)=NN1C(C)(C)C)C1=NN=N[N-]1	REAL300020240149	1	51	-1.0	-48.42	417.92	6.37	-42.05
CC(C)(C)N1N=C(C2CC2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240150	0	48	-1.0	-45.22	375.73	6.44	-38.78
CC(C)(C)N1N=C(C2CC2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240150	1	48	-1.0	-45.25	375.80	6.45	-38.80
CC(C)(C)N1N=C(C2CC2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240151	0	54	-1.0	-53.39	397.67	8.19	-45.20
CC(C)(C)N1N=C(C2CC2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240151	1	54	-1.0	-53.40	397.71	8.19	-45.21
NS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020240152	0	39	-1.0	-48.41	353.37	-2.18	-50.59
NS(=O)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020240152	1	39	-1.0	-48.41	353.32	-2.21	-50.62
NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020240153	0	39	-1.0	-48.84	334.07	-2.60	-51.44
NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020240153	1	39	-1.0	-48.82	334.02	-2.62	-51.44
NS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020240154	0	36	-1.0	-58.00	318.93	-3.57	-61.57
NS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020240154	1	36	-1.0	-58.04	318.87	-3.58	-61.62
CSCC[C@H](NC(=O)NC1=CC=C(S(N)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300020240155	0	39	-1.0	-51.04	362.25	-3.58	-54.62
CSCC[C@H](NC(=O)NC1=CC=C(S(N)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300020240155	1	39	-1.0	-51.05	362.19	-3.59	-54.64
NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020240156	0	36	-1.0	-49.84	320.04	-3.49	-53.33
NS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020240156	1	36	-1.0	-49.80	319.97	-3.49	-53.29
NS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020240157	0	42	-1.0	-45.68	349.10	-2.50	-48.18
NS(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020240157	1	42	-1.0	-45.85	348.61	-2.53	-48.38
COC(=O)C1=C(C(C)C)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020240158	0	47	-1.0	-43.88	385.44	5.95	-37.93
COC(=O)C1=C(C(C)C)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020240158	1	47	-1.0	-43.91	385.49	5.97	-37.94
COC(=O)C1=C(C(C)C)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020240159	0	44	-1.0	-52.08	370.03	5.06	-47.02
COC(=O)C1=C(C(C)C)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020240159	1	44	-1.0	-52.06	370.09	5.08	-46.98
COC(=O)C1=C(C(C)C)C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020240160	0	47	-1.0	-45.88	413.64	5.00	-40.88
COC(=O)C1=C(C(C)C)C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020240160	1	47	-1.0	-45.87	413.70	5.02	-40.85
COC(=O)C1=C(C(C)C)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020240161	0	44	-1.0	-43.85	371.49	5.09	-38.76
COC(=O)C1=C(C(C)C)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020240161	1	44	-1.0	-43.85	371.57	5.10	-38.75
COC(=O)C1=C(C(C)C)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020240162	0	50	-1.0	-49.18	394.07	6.96	-42.22
COC(=O)C1=C(C(C)C)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020240162	1	50	-1.0	-49.18	394.12	6.96	-42.22
O=C(NC1=CC=CC(OCCN2CCOCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240163	0	52	-1.0	-63.82	407.99	2.20	-61.62
O=C(NC1=CC=CC(OCCN2CCOCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240163	1	52	-1.0	-63.88	408.05	2.22	-61.66
O=C(NC1=CC=CC(OCCN2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240164	0	52	-1.0	-50.18	409.94	2.30	-47.88
O=C(NC1=CC=CC(OCCN2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240164	1	52	-1.0	-50.18	410.01	2.31	-47.87
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240165	0	44	-1.0	-42.88	380.75	6.11	-36.77
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240165	1	44	-1.0	-42.86	380.69	6.09	-36.77
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240166	0	44	-1.0	-44.49	361.56	5.63	-38.86
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240166	1	44	-1.0	-44.49	361.50	5.61	-38.88
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020240167	0	41	-1.0	-49.91	346.11	4.73	-45.18
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020240167	1	41	-1.0	-49.94	346.05	4.71	-45.23
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300020240168	0	44	-1.0	-45.15	389.73	4.70	-40.45
CSCC[C@H](NC(=O)NC1=CN(CC2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300020240168	1	44	-1.0	-45.16	389.68	4.68	-40.48
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240169	0	41	-1.0	-42.59	347.60	4.77	-37.82
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240169	1	41	-1.0	-42.56	347.53	4.76	-37.80
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240170	0	47	-1.0	-46.94	369.73	6.51	-40.43
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240170	1	47	-1.0	-46.92	369.68	6.50	-40.42
C#CCN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020240171	0	37	-1.0	-47.91	332.61	3.90	-44.01
C#CCN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020240171	1	37	-1.0	-47.89	332.55	3.87	-44.02
C#CCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020240172	0	37	-1.0	-49.03	313.43	3.44	-45.59
C#CCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020240172	1	37	-1.0	-49.03	313.37	3.42	-45.61
C#CCN1C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020240173	0	37	-1.0	-53.20	341.59	2.48	-50.72
C#CCN1C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020240173	1	37	-1.0	-53.21	341.53	2.47	-50.74
C#CCN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020240174	0	40	-1.0	-56.87	321.42	4.31	-52.56
C#CCN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020240174	1	40	-1.0	-56.89	321.37	4.31	-52.58
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)C=C1	REAL300020240175	0	40	-2.0	-93.48	365.05	4.97	-88.51
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)C=C1	REAL300020240175	1	40	-2.0	-93.43	365.10	4.99	-88.44
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)S2)C=C1	REAL300020240176	0	37	-2.0	-117.03	349.22	3.85	-113.18
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)S2)C=C1	REAL300020240176	1	37	-2.0	-117.04	349.28	3.88	-113.16
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020240177	0	37	-2.0	-95.40	349.96	3.90	-91.50
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020240177	1	37	-2.0	-95.39	350.04	3.92	-91.47
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)C=C1	REAL300020240178	0	43	-2.0	-112.95	373.55	5.95	-107.00
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)C=C1	REAL300020240178	1	43	-2.0	-112.94	373.60	5.95	-106.99
COC1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240179	0	39	-1.0	-40.39	340.87	4.38	-36.01
COC1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240179	1	39	-1.0	-40.33	340.81	4.36	-35.97
COC1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240180	0	39	-1.0	-41.37	321.98	3.90	-37.47
COC1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240180	1	39	-1.0	-41.41	322.04	3.91	-37.50
COC1=C(F)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240181	0	36	-1.0	-49.66	307.32	2.96	-46.70
COC1=C(F)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240181	1	36	-1.0	-49.61	307.38	2.98	-46.63
COC1=C(F)C=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020240182	0	39	-1.0	-44.06	350.17	2.93	-41.13
COC1=C(F)C=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020240182	1	39	-1.0	-44.10	350.23	2.95	-41.15
COC1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240183	0	36	-1.0	-41.39	308.85	3.01	-38.38
COC1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240183	1	36	-1.0	-41.43	308.92	3.02	-38.41
COC1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240184	0	42	-1.0	-45.77	330.65	4.76	-41.01
COC1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240184	1	42	-1.0	-45.76	330.71	4.76	-41.00
CC1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020240185	0	40	-1.0	-46.36	338.08	5.70	-40.66
CC1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020240185	1	40	-1.0	-46.37	338.03	5.67	-40.70
CC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020240186	0	40	-1.0	-48.69	319.65	5.23	-43.46
CC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020240186	1	40	-1.0	-48.69	319.71	5.25	-43.44
CSCC[C@H](NC(=O)NC1=CC(C)=C(C)C=N1)C1=N[N-]N=N1	REAL300020240187	0	40	-1.0	-52.84	347.03	4.26	-48.58
CSCC[C@H](NC(=O)NC1=CC(C)=C(C)C=N1)C1=NN=N[N-]1	REAL300020240187	1	40	-1.0	-52.84	347.08	4.27	-48.57
CC1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020240188	0	43	-1.0	-55.82	327.45	6.04	-49.78
CC1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020240188	1	43	-1.0	-55.81	327.50	6.05	-49.76
O=C(NC1=CC=C(C2=CNN=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240189	0	42	-1.0	-45.25	360.33	4.77	-40.48
O=C(NC1=CC=C(C2=CNN=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240189	1	42	-1.0	-45.23	360.27	4.74	-40.49
O=C(NC1=CC=C(C2=CNN=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240190	0	42	-1.0	-46.37	341.04	4.29	-42.08
O=C(NC1=CC=C(C2=CNN=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240190	1	42	-1.0	-46.38	341.10	4.31	-42.07
O=C(NC1=CC=C(C2=CNN=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240191	0	39	-1.0	-55.88	325.89	3.33	-52.55
O=C(NC1=CC=C(C2=CNN=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240191	1	39	-1.0	-55.89	325.95	3.34	-52.55
CSCC[C@H](NC(=O)NC1=CC=C(C2=CNN=C2)C=C1)C1=N[N-]N=N1	REAL300020240192	0	42	-1.0	-54.10	369.42	3.30	-50.80
CSCC[C@H](NC(=O)NC1=CC=C(C2=CNN=C2)C=C1)C1=NN=N[N-]1	REAL300020240192	1	42	-1.0	-54.09	369.47	3.31	-50.78
O=C(NC1=CC=C(C2=CNN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240193	0	39	-1.0	-46.91	327.30	3.39	-43.52
O=C(NC1=CC=C(C2=CNN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240193	1	39	-1.0	-46.92	327.37	3.40	-43.52
O=C(NC1=CC=C(C2=CNN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240194	0	45	-1.0	-52.65	349.87	5.26	-47.39
O=C(NC1=CC=C(C2=CNN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240194	1	45	-1.0	-52.64	349.93	5.26	-47.38
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN=C1S(C)(=O)=O	REAL300020240195	0	43	-1.0	-51.57	372.78	1.04	-50.53
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN=C1S(C)(=O)=O	REAL300020240195	1	43	-1.0	-51.51	372.73	1.02	-50.49
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1S(C)(=O)=O	REAL300020240196	0	43	-1.0	-55.36	354.67	0.60	-54.76
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN=C1S(C)(=O)=O	REAL300020240196	1	43	-1.0	-55.38	354.61	0.59	-54.79
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN=C1S(C)(=O)=O	REAL300020240197	0	40	-1.0	-61.06	340.71	-0.13	-61.19
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN=C1S(C)(=O)=O	REAL300020240197	1	40	-1.0	-61.02	340.65	-0.15	-61.17
CSCC[C@H](NC(=O)NC1=CN=C(S(C)(=O)=O)C(C)=C1)C1=NN=N[N-]1	REAL300020240198	0	43	-1.0	-55.20	382.40	-0.26	-55.46
CSCC[C@H](NC(=O)NC1=CN=C(S(C)(=O)=O)C(C)=C1)C1=N[N-]N=N1	REAL300020240198	1	43	-1.0	-55.21	382.34	-0.27	-55.48
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1S(C)(=O)=O	REAL300020240199	0	40	-1.0	-52.53	339.43	-0.25	-52.78
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1S(C)(=O)=O	REAL300020240199	1	40	-1.0	-52.53	339.36	-0.26	-52.79
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1S(C)(=O)=O	REAL300020240200	0	46	-1.0	-51.35	368.72	0.94	-50.41
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1S(C)(=O)=O	REAL300020240200	1	46	-1.0	-51.31	368.68	0.94	-50.37
O=C(NC1=CN(C2CCCCC2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240201	0	48	-1.0	-52.39	387.20	5.78	-46.61
O=C(NC1=CN(C2CCCCC2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240201	1	48	-1.0	-52.40	387.14	5.76	-46.64
O=C(NC1=CN(C2CCCCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240202	0	48	-1.0	-45.87	368.00	5.32	-40.55
O=C(NC1=CN(C2CCCCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240202	1	48	-1.0	-45.89	367.94	5.31	-40.58
O=C(NC1=CN(C2CCCCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240203	0	45	-1.0	-57.62	352.56	4.41	-53.21
O=C(NC1=CN(C2CCCCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240203	1	45	-1.0	-57.67	352.50	4.38	-53.29
CSCC[C@H](NC(=O)NC1=CN(C2CCCCC2)N=C1)C1=NN=N[N-]1	REAL300020240204	0	48	-1.0	-50.28	396.17	4.36	-45.92
CSCC[C@H](NC(=O)NC1=CN(C2CCCCC2)N=C1)C1=N[N-]N=N1	REAL300020240204	1	48	-1.0	-50.27	396.11	4.35	-45.92
O=C(NC1=CN(C2CCCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240205	0	45	-1.0	-46.90	354.03	4.44	-42.46
O=C(NC1=CN(C2CCCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240205	1	45	-1.0	-46.89	353.96	4.43	-42.46
O=C(NC1=CN(C2CCCCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240206	0	51	-1.0	-54.04	376.00	6.20	-47.84
O=C(NC1=CN(C2CCCCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240206	1	51	-1.0	-54.08	375.96	6.19	-47.89
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=C1CCCC2	REAL300020240207	0	51	-1.0	-43.95	391.11	7.46	-36.49
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=C1CCCC2	REAL300020240207	1	51	-1.0	-43.99	391.17	7.48	-36.51
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=C1CCCC2	REAL300020240208	0	48	-1.0	-52.93	377.78	6.56	-46.37
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=C1CCCC2	REAL300020240208	1	48	-1.0	-52.92	377.84	6.57	-46.35
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=C1CCCC2	REAL300020240209	0	48	-1.0	-44.28	378.87	6.66	-37.62
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=C1CCCC2	REAL300020240209	1	48	-1.0	-44.27	378.94	6.66	-37.61
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=C1CCCC2	REAL300020240210	0	54	-1.0	-43.39	405.48	7.59	-35.80
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=C1CCCC2	REAL300020240210	1	54	-1.0	-43.41	405.52	7.61	-35.80
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)S1	REAL300020240211	0	38	-1.0	-41.04	333.03	5.39	-35.65
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)S1	REAL300020240211	1	38	-1.0	-41.04	332.98	5.37	-35.67
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)S1	REAL300020240212	0	38	-1.0	-42.57	313.76	4.90	-37.67
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)S1	REAL300020240212	1	38	-1.0	-42.58	313.82	4.92	-37.66
CSCC[C@H](NC(=O)NC1=C(C)SC(C)=C1)C1=N[N-]N=N1	REAL300020240213	0	38	-1.0	-46.00	343.06	3.94	-42.06
CSCC[C@H](NC(=O)NC1=C(C)SC(C)=C1)C1=NN=N[N-]1	REAL300020240213	1	38	-1.0	-46.04	343.12	3.95	-42.09
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)S1	REAL300020240214	0	41	-1.0	-48.35	320.99	5.80	-42.55
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)S1	REAL300020240214	1	41	-1.0	-48.37	321.03	5.82	-42.55
CC1=NN(C(F)F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240215	0	38	-1.0	-43.76	338.65	3.32	-40.44
CC1=NN(C(F)F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240215	1	38	-1.0	-43.74	338.60	3.29	-40.45
CC1=NN(C(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240216	0	38	-1.0	-45.83	320.18	2.86	-42.97
CC1=NN(C(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240216	1	38	-1.0	-45.82	320.23	2.87	-42.95
CC1=NN(C(F)F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240217	0	35	-1.0	-53.32	303.96	1.89	-51.43
CC1=NN(C(F)F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240217	1	35	-1.0	-53.31	304.02	1.92	-51.39
CSCC[C@H](NC(=O)NC1=CN(C(F)F)N=C1C)C1=N[N-]N=N1	REAL300020240218	0	38	-1.0	-48.85	348.34	1.92	-46.93
CSCC[C@H](NC(=O)NC1=CN(C(F)F)N=C1C)C1=NN=N[N-]1	REAL300020240218	1	38	-1.0	-48.85	348.40	1.94	-46.91
CC1=NN(C(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240219	0	35	-1.0	-46.08	306.20	1.99	-44.09
CC1=NN(C(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240219	1	35	-1.0	-46.13	306.27	2.00	-44.13
CC1=NN(C(F)F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240220	0	41	-1.0	-49.63	327.96	3.80	-45.83
CC1=NN(C(F)F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240220	1	41	-1.0	-49.62	328.01	3.81	-45.81
CSC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240221	0	39	-1.0	-44.01	343.76	6.05	-37.96
CSC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240221	1	39	-1.0	-44.00	343.82	6.06	-37.94
CSC1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240222	0	36	-1.0	-53.67	327.16	5.15	-48.52
CSC1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240222	1	36	-1.0	-53.71	327.22	5.16	-48.55
CSC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240223	0	36	-1.0	-43.82	328.56	5.18	-38.64
CSC1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240223	1	36	-1.0	-43.80	328.63	5.20	-38.60
COC1=CC=C2N=C([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=N1	REAL300020240224	0	39	-2.0	-87.79	358.66	0.75	-87.04
COC1=CC=C2N=C([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=N1	REAL300020240224	1	39	-2.0	-87.82	358.60	0.72	-87.10
COC1=CC=C2N=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=N1	REAL300020240224	1	40	-1.0	-49.93	361.95	1.93	-48.00
COC1=CC=C2N=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=N1	REAL300020240224	1	40	-1.0	-49.92	361.89	1.91	-48.01
COC1=CC=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=N1	REAL300020240225	0	40	-1.0	-44.88	342.72	1.47	-43.41
COC1=CC=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=N1	REAL300020240225	1	40	-1.0	-44.88	342.66	1.46	-43.42
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=N1	REAL300020240225	1	39	-2.0	-90.14	341.71	0.64	-89.50
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=N1	REAL300020240225	1	39	-2.0	-90.16	341.65	0.62	-89.54
COC1=CC=C2N=C(NC(=O)N3CCCC3C3=NN=N[N-]3)SC2=N1	REAL300020240226	0	37	-1.0	-52.92	327.28	0.54	-52.38
COC1=CC=C2N=C(NC(=O)N3CCCC3C3=N[N-]N=N3)SC2=N1	REAL300020240226	1	37	-1.0	-52.94	327.23	0.52	-52.42
COC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)SC2=N1	REAL300020240226	1	36	-2.0	-111.00	325.82	-0.51	-111.51
COC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)SC2=N1	REAL300020240226	1	36	-2.0	-111.03	325.88	-0.49	-111.52
COC1=CC=C2N=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)SC2=N1	REAL300020240227	0	40	-1.0	-46.68	370.90	0.52	-46.16
COC1=CC=C2N=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)SC2=N1	REAL300020240227	1	40	-1.0	-46.68	370.84	0.50	-46.18
COC1=CC=C2N=C([N-]C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)SC2=N1	REAL300020240227	1	39	-2.0	-101.35	367.59	-0.68	-102.03
COC1=CC=C2N=C([N-]C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)SC2=N1	REAL300020240227	1	39	-2.0	-101.35	367.65	-0.67	-102.02
COC1=CC=C2N=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020240228	0	37	-1.0	-43.92	328.77	0.59	-43.33
COC1=CC=C2N=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020240228	1	37	-1.0	-43.93	328.69	0.58	-43.35
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020240228	1	36	-2.0	-90.50	326.64	-0.45	-90.95
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020240228	1	36	-2.0	-90.48	326.56	-0.46	-90.94
COC1=CC=C2N=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=N1	REAL300020240229	0	43	-1.0	-50.10	350.98	2.32	-47.78
COC1=CC=C2N=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=N1	REAL300020240229	1	43	-1.0	-50.11	350.93	2.31	-47.80
COC1=CC=C2N=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=N1	REAL300020240229	1	42	-2.0	-109.18	350.20	1.49	-107.69
COC1=CC=C2N=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=N1	REAL300020240229	1	42	-2.0	-109.14	350.14	1.48	-107.66
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(Cl)C=CC2=C1OCO2	REAL300020240230	0	38	-1.0	-46.89	343.74	4.95	-41.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(Cl)C=CC2=C1OCO2	REAL300020240230	1	38	-1.0	-46.84	343.69	4.92	-41.92
O=C(NC1=C(Cl)C=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240231	0	38	-1.0	-43.87	321.89	3.20	-40.67
O=C(NC1=C(Cl)C=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240231	1	38	-1.0	-43.87	321.94	3.21	-40.66
O=C(NC1=C(Cl)C=CC2=C1OCO2)N1CCCC1C1=N[N-]N=N1	REAL300020240232	0	35	-1.0	-58.32	315.03	2.78	-55.54
O=C(NC1=C(Cl)C=CC2=C1OCO2)N1CCCC1C1=NN=N[N-]1	REAL300020240232	1	35	-1.0	-58.32	315.09	2.80	-55.52
CSCC[C@H](NC(=O)NC1=C(Cl)C=CC2=C1OCO2)C1=N[N-]N=N1	REAL300020240233	0	38	-1.0	-51.35	358.71	2.74	-48.61
CSCC[C@H](NC(=O)NC1=C(Cl)C=CC2=C1OCO2)C1=NN=N[N-]1	REAL300020240233	1	38	-1.0	-51.33	358.76	2.75	-48.58
O=C(NC1=C(Cl)C=CC2=C1OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020240234	0	35	-1.0	-46.07	316.55	2.82	-43.25
O=C(NC1=C(Cl)C=CC2=C1OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020240234	1	35	-1.0	-46.12	316.62	2.83	-43.29
O=C(NC1=C(Cl)C=CC2=C1OCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020240235	0	41	-1.0	-49.49	331.30	4.09	-45.40
O=C(NC1=C(Cl)C=CC2=C1OCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020240235	1	41	-1.0	-49.43	331.36	4.10	-45.33
CC1=C(Br)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N1	REAL300020240236	0	38	-1.0	-45.69	325.02	2.19	-43.50
CC1=C(Br)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N1	REAL300020240236	1	38	-1.0	-45.64	325.08	2.20	-43.44
CC1=C(Br)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)N1	REAL300020240237	0	35	-1.0	-67.98	313.62	2.51	-65.47
CC1=C(Br)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)N1	REAL300020240237	1	35	-1.0	-68.05	313.68	2.52	-65.53
CC1=C(Br)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020240238	0	35	-1.0	-52.99	315.01	2.58	-50.41
CC1=C(Br)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020240238	1	35	-1.0	-52.99	315.08	2.59	-50.40
CC1=C(Br)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020240239	0	41	-1.0	-48.38	338.70	3.42	-44.96
CC1=C(Br)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020240239	1	41	-1.0	-48.38	338.75	3.42	-44.96
CC(C)(C)C1=CN=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020240240	0	46	-1.0	-39.91	388.32	5.85	-34.06
CC(C)(C)C1=CN=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020240240	1	46	-1.0	-39.90	388.26	5.83	-34.07
CC(C)(C)C1=CN=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020240241	0	46	-1.0	-40.94	368.75	5.37	-35.57
CC(C)(C)C1=CN=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020240241	1	46	-1.0	-40.91	368.69	5.36	-35.55
CC(C)(C)C1=CN=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020240242	0	43	-1.0	-50.12	354.24	4.47	-45.65
CC(C)(C)C1=CN=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020240242	1	43	-1.0	-50.13	354.18	4.46	-45.67
CSCC[C@H](NC(=O)NC1=CC(C(C)(C)C)=CN=C1Cl)C1=NN=N[N-]1	REAL300020240243	0	46	-1.0	-43.97	397.74	4.43	-39.54
CSCC[C@H](NC(=O)NC1=CC(C(C)(C)C)=CN=C1Cl)C1=N[N-]N=N1	REAL300020240243	1	46	-1.0	-44.00	397.69	4.42	-39.58
CC(C)(C)C1=CN=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020240244	0	43	-1.0	-40.84	355.60	4.53	-36.31
CC(C)(C)C1=CN=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020240244	1	43	-1.0	-40.79	355.53	4.51	-36.28
CC(C)(C)C1=CN=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020240245	0	49	-1.0	-46.76	377.74	6.26	-40.50
CC(C)(C)C1=CN=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020240245	1	49	-1.0	-46.76	377.68	6.25	-40.51
COCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020240246	0	36	-2.0	-92.83	336.95	0.78	-92.05
COCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020240246	1	36	-2.0	-92.78	336.89	0.76	-92.02
COCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020240247	0	36	-2.0	-94.98	319.94	0.64	-94.34
COCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020240247	1	36	-2.0	-95.02	320.00	0.66	-94.36
COCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020240248	0	33	-2.0	-118.81	304.11	-0.48	-119.29
COCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020240248	1	33	-2.0	-118.80	304.17	-0.45	-119.25
COCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020240249	0	36	-2.0	-108.32	345.88	-0.66	-108.98
COCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020240249	1	36	-2.0	-108.31	345.94	-0.64	-108.95
COCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020240250	0	33	-2.0	-96.74	304.86	-0.43	-97.17
COCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020240250	1	33	-2.0	-96.72	304.93	-0.41	-97.13
COCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020240251	0	39	-2.0	-114.81	328.52	1.62	-113.19
COCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020240251	1	39	-2.0	-114.82	328.57	1.63	-113.19
O=C(NC1=CC=C(Br)C2=C1CCCC2)N1CCCC1C1=N[N-]N=N1	REAL300020240252	0	42	-1.0	-51.81	345.76	6.57	-45.24
O=C(NC1=CC=C(Br)C2=C1CCCC2)N1CCCC1C1=NN=N[N-]1	REAL300020240252	1	42	-1.0	-51.85	345.82	6.59	-45.26
O=C(NC1=CC=C(Br)C2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020240253	0	42	-1.0	-42.67	348.13	6.66	-36.01
O=C(NC1=CC=C(Br)C2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020240253	1	42	-1.0	-42.69	348.21	6.67	-36.02
CC(C)(C)C1=CN=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020240254	0	46	-1.0	-41.68	374.71	5.28	-36.40
CC(C)(C)C1=CN=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020240254	1	46	-1.0	-41.67	374.65	5.26	-36.41
CC(C)(C)C1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020240255	0	46	-1.0	-43.21	355.78	4.82	-38.39
CC(C)(C)C1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020240255	1	46	-1.0	-43.23	355.72	4.81	-38.42
CC(C)(C)C1=CN=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020240256	0	43	-1.0	-52.49	340.22	3.91	-48.58
CC(C)(C)C1=CN=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020240256	1	43	-1.0	-52.49	340.16	3.89	-48.60
CSCC[C@H](NC(=O)NC1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020240257	0	46	-1.0	-47.42	383.75	3.87	-43.55
CSCC[C@H](NC(=O)NC1=CN=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020240257	1	46	-1.0	-47.42	383.69	3.85	-43.57
CC(C)(C)C1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020240258	0	43	-1.0	-43.51	341.63	3.96	-39.55
CC(C)(C)C1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020240258	1	43	-1.0	-43.49	341.55	3.96	-39.53
CC(C)(C)C1=CN=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020240259	0	49	-1.0	-42.17	368.24	4.98	-37.19
CC(C)(C)C1=CN=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020240259	1	49	-1.0	-42.19	368.21	4.98	-37.21
O=C(NC1=CNC2=CC(Br)=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240260	0	39	-1.0	-41.98	336.36	4.96	-37.02
O=C(NC1=CNC2=CC(Br)=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240260	1	39	-1.0	-42.03	336.42	4.98	-37.05
O=C(NC1=CNC2=CC(Br)=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300020240261	0	36	-1.0	-50.64	320.91	4.05	-46.59
O=C(NC1=CNC2=CC(Br)=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300020240261	1	36	-1.0	-50.64	320.97	4.05	-46.59
O=C(NC1=CNC2=CC(Br)=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020240262	0	36	-1.0	-41.83	322.39	4.09	-37.74
O=C(NC1=CNC2=CC(Br)=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020240262	1	36	-1.0	-41.81	322.46	4.11	-37.70
O=C(NC1=NN(CC2=CC=C(F)C=C2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240263	0	45	-1.0	-46.19	392.99	7.47	-38.72
O=C(NC1=NN(CC2=CC=C(F)C=C2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240263	1	45	-1.0	-46.23	392.93	7.45	-38.78
O=C(NC1=NN(CC2=CC=C(F)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240264	0	45	-1.0	-48.20	373.79	6.98	-41.22
O=C(NC1=NN(CC2=CC=C(F)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240264	1	45	-1.0	-48.22	373.73	6.97	-41.25
O=C(NC1=NN(CC2=CC=C(F)C=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240265	0	42	-1.0	-55.77	358.33	6.08	-49.69
O=C(NC1=NN(CC2=CC=C(F)C=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240265	1	42	-1.0	-55.74	358.27	6.07	-49.67
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=C(F)C=C2)C=C1)C1=NN=N[N-]1	REAL300020240266	0	45	-1.0	-50.22	401.95	6.05	-44.17
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=C(F)C=C2)C=C1)C1=N[N-]N=N1	REAL300020240266	1	45	-1.0	-50.21	401.90	6.04	-44.17
O=C(NC1=NN(CC2=CC=C(F)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240267	0	42	-1.0	-46.84	359.82	6.13	-40.71
O=C(NC1=NN(CC2=CC=C(F)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240267	1	42	-1.0	-46.83	359.75	6.11	-40.72
O=C(NC1=NN(CC2=CC=C(F)C=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240268	0	48	-1.0	-50.64	381.77	7.88	-42.76
O=C(NC1=NN(CC2=CC=C(F)C=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240268	1	48	-1.0	-50.65	381.73	7.88	-42.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN2N=CN=C12	REAL300020240269	0	37	-1.0	-57.32	327.10	5.19	-52.13
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN2N=CN=C12	REAL300020240269	1	37	-1.0	-57.29	327.05	5.16	-52.13
O=C(NC1=CC=CN2N=CN=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240270	0	37	-1.0	-44.44	303.96	4.58	-39.86
O=C(NC1=CC=CN2N=CN=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240270	1	37	-1.0	-44.42	303.90	4.56	-39.86
CSCC[C@H](NC(=O)NC1=CC=CN2N=CN=C12)C1=NN=N[N-]1	REAL300020240271	0	37	-1.0	-54.81	336.77	3.66	-51.15
CSCC[C@H](NC(=O)NC1=CC=CN2N=CN=C12)C1=N[N-]N=N1	REAL300020240271	1	37	-1.0	-54.83	336.71	3.65	-51.18
O=C(NC1=CC=CN2N=CN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020240272	0	40	-1.0	-47.29	318.17	4.89	-42.40
O=C(NC1=CC=CN2N=CN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020240272	1	40	-1.0	-47.21	318.13	4.89	-42.32
CC1=NC(Br)=CN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240273	0	36	-1.0	-56.50	333.60	3.84	-52.66
CC1=NC(Br)=CN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240273	1	36	-1.0	-56.49	333.66	3.86	-52.63
CC1=NC(Br)=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240274	0	36	-1.0	-45.93	314.43	3.37	-42.56
CC1=NC(Br)=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240274	1	36	-1.0	-45.89	314.49	3.38	-42.51
CC1=NC(Br)=CN=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240275	0	33	-1.0	-55.66	298.96	2.45	-53.21
CC1=NC(Br)=CN=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240275	1	33	-1.0	-55.67	299.02	2.48	-53.19
CSCC[C@H](NC(=O)NC1=NC=C(Br)N=C1C)C1=N[N-]N=N1	REAL300020240276	0	36	-1.0	-48.53	342.58	2.42	-46.11
CSCC[C@H](NC(=O)NC1=NC=C(Br)N=C1C)C1=NN=N[N-]1	REAL300020240276	1	36	-1.0	-48.53	342.64	2.44	-46.09
CC1=NC(Br)=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240277	0	33	-1.0	-46.30	300.44	2.51	-43.79
CC1=NC(Br)=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240277	1	33	-1.0	-46.31	300.51	2.52	-43.79
CC1=NC(Br)=CN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240278	0	39	-1.0	-51.28	322.65	4.24	-47.04
CC1=NC(Br)=CN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240278	1	39	-1.0	-51.28	322.71	4.24	-47.04
CC(C)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020240279	0	42	-1.0	-44.88	354.49	6.71	-38.17
CC(C)C1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020240279	1	42	-1.0	-44.89	354.43	6.68	-38.21
CC(C)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020240280	0	42	-1.0	-46.99	335.23	6.21	-40.78
CC(C)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020240280	1	42	-1.0	-47.02	335.28	6.22	-40.80
CC(C)C1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020240281	0	39	-1.0	-56.77	319.79	5.30	-51.47
CC(C)C1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020240281	1	39	-1.0	-56.80	319.85	5.31	-51.49
CSCC[C@H](NC(=O)NC1=NC=CC(C(C)C)=N1)C1=N[N-]N=N1	REAL300020240282	0	42	-1.0	-49.98	363.41	5.27	-44.71
CSCC[C@H](NC(=O)NC1=NC=CC(C(C)C)=N1)C1=NN=N[N-]1	REAL300020240282	1	42	-1.0	-49.96	363.47	5.28	-44.68
CC(C)C1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020240283	0	39	-1.0	-46.53	321.26	5.35	-41.18
CC(C)C1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020240283	1	39	-1.0	-46.54	321.33	5.37	-41.17
CC(C)C1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020240284	0	45	-1.0	-52.35	343.49	7.08	-45.27
CC(C)C1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020240284	1	45	-1.0	-52.33	343.54	7.08	-45.25
COC(=O)C1=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020240285	0	36	-2.0	-87.49	339.13	1.86	-85.63
COC(=O)C1=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020240285	1	36	-2.0	-87.48	339.08	1.83	-85.65
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020240285	1	37	-1.0	-42.15	339.77	2.77	-39.38
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020240285	1	37	-1.0	-42.16	339.72	2.74	-39.42
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=N1	REAL300020240286	0	37	-1.0	-43.44	320.58	2.31	-41.13
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=N1	REAL300020240286	1	37	-1.0	-43.41	320.52	2.29	-41.12
COC(=O)C1=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=N1	REAL300020240286	1	36	-2.0	-88.93	322.14	1.73	-87.20
COC(=O)C1=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=N1	REAL300020240286	1	36	-2.0	-88.92	322.08	1.72	-87.20
COC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)SC=N1	REAL300020240287	0	34	-1.0	-48.65	305.14	1.41	-47.24
COC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)SC=N1	REAL300020240287	1	34	-1.0	-48.69	305.08	1.38	-47.31
COC(=O)C1=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)SC=N1	REAL300020240287	1	33	-2.0	-106.39	306.29	0.62	-105.77
COC(=O)C1=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)SC=N1	REAL300020240287	1	33	-2.0	-106.37	306.34	0.64	-105.73
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC=N1	REAL300020240288	0	37	-1.0	-43.92	348.75	1.36	-42.56
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC=N1	REAL300020240288	1	37	-1.0	-43.92	348.69	1.35	-42.57
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020240289	0	34	-1.0	-41.21	306.63	1.45	-39.76
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020240289	1	34	-1.0	-41.20	306.56	1.43	-39.77
COC(=O)C1=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020240289	1	33	-2.0	-88.31	307.12	0.66	-87.65
COC(=O)C1=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020240289	1	33	-2.0	-88.28	307.04	0.65	-87.63
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020240290	0	40	-1.0	-45.43	329.14	3.30	-42.13
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020240290	1	40	-1.0	-45.47	329.08	3.29	-42.18
COC(=O)C1=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020240290	1	39	-2.0	-102.40	330.76	2.73	-99.67
COC(=O)C1=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020240290	1	39	-2.0	-102.42	330.72	2.71	-99.71
CN1C=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C1=O	REAL300020240291	0	43	-1.0	-48.69	369.78	5.48	-43.21
CN1C=NC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C1=O	REAL300020240291	1	43	-1.0	-48.69	369.73	5.45	-43.24
CN1C=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C1=O	REAL300020240292	0	43	-1.0	-49.54	350.38	4.99	-44.55
CN1C=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C1=O	REAL300020240292	1	43	-1.0	-49.52	350.32	4.98	-44.54
CN1C=NC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C1=O	REAL300020240293	0	40	-1.0	-59.29	335.45	4.06	-55.23
CN1C=NC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C1=O	REAL300020240293	1	40	-1.0	-59.32	335.40	4.04	-55.28
CSCC[C@H](NC(=O)NC1=CC=C2N=CN(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL300020240294	0	43	-1.0	-52.66	378.60	4.05	-48.61
CSCC[C@H](NC(=O)NC1=CC=C2N=CN(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL300020240294	1	43	-1.0	-52.62	378.54	4.03	-48.59
CN1C=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020240295	0	40	-1.0	-58.79	336.50	4.13	-54.66
CN1C=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020240295	1	40	-1.0	-58.81	336.42	4.12	-54.69
CN1C=NC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1=O	REAL300020240296	0	46	-1.0	-52.93	362.74	5.14	-47.79
CN1C=NC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1=O	REAL300020240296	1	46	-1.0	-52.98	362.71	5.13	-47.85
COC1=CC=C(Br)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240297	0	38	-1.0	-49.07	330.17	3.94	-45.13
COC1=CC=C(Br)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240297	1	38	-1.0	-49.06	330.12	3.92	-45.14
COC1=CC=C(Br)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240298	0	35	-1.0	-61.15	314.69	3.02	-58.13
COC1=CC=C(Br)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240298	1	35	-1.0	-61.16	314.63	3.02	-58.14
COC1=CC=C(Br)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240299	0	35	-1.0	-49.87	316.17	3.09	-46.78
COC1=CC=C(Br)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240299	1	35	-1.0	-49.83	316.10	3.07	-46.76
COC1=CC=C(Br)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240300	0	41	-1.0	-55.78	338.39	4.79	-50.99
COC1=CC=C(Br)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240300	1	41	-1.0	-55.82	338.34	4.79	-51.03
O=C(NC1=CN=C(I)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020240301	0	30	-1.0	-55.28	287.45	2.17	-53.11
O=C(NC1=CN=C(I)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020240301	1	30	-1.0	-55.33	287.39	2.15	-53.18
O=C(NC1=CN=C(I)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240302	0	30	-1.0	-46.29	288.95	2.23	-44.06
O=C(NC1=CN=C(I)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240302	1	30	-1.0	-46.20	288.88	2.22	-43.98
CC1(C)CCC2=NC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NC=C2C1	REAL300020240303	0	49	-1.0	-55.90	392.67	8.15	-47.75
CC1(C)CCC2=NC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NC=C2C1	REAL300020240303	1	49	-1.0	-55.87	392.73	8.17	-47.70
CC1(C)CCC2=NC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC=C2C1	REAL300020240304	0	49	-1.0	-46.71	373.51	7.69	-39.02
CC1(C)CCC2=NC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC=C2C1	REAL300020240304	1	49	-1.0	-46.73	373.57	7.70	-39.03
CC1(C)CCC2=NC(NC(=O)N3CCCC3C3=N[N-]N=N3)=NC=C2C1	REAL300020240305	0	46	-1.0	-56.91	358.03	6.76	-50.15
CC1(C)CCC2=NC(NC(=O)N3CCCC3C3=NN=N[N-]3)=NC=C2C1	REAL300020240305	1	46	-1.0	-56.88	358.09	6.78	-50.10
CSCC[C@H](NC(=O)NC1=NC=C2CC(C)(C)CCC2=N1)C1=N[N-]N=N1	REAL300020240306	0	49	-1.0	-50.14	401.70	6.73	-43.41
CSCC[C@H](NC(=O)NC1=NC=C2CC(C)(C)CCC2=N1)C1=NN=N[N-]1	REAL300020240306	1	49	-1.0	-50.08	401.76	6.75	-43.33
CC1(C)CCC2=NC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=NC=C2C1	REAL300020240307	0	46	-1.0	-46.24	359.54	6.83	-39.41
CC1(C)CCC2=NC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=NC=C2C1	REAL300020240307	1	46	-1.0	-46.25	359.61	6.85	-39.40
CC1(C)CCC2=NC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=NC=C2C1	REAL300020240308	0	52	-1.0	-52.68	382.01	8.55	-44.13
CC1(C)CCC2=NC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=NC=C2C1	REAL300020240308	1	52	-1.0	-52.68	382.06	8.57	-44.11
COC(C)(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020240309	0	42	-2.0	-88.21	368.44	2.04	-86.17
COC(C)(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020240309	1	42	-2.0	-88.26	368.38	2.02	-86.24
COC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020240310	0	42	-2.0	-90.14	351.21	1.87	-88.27
COC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020240310	1	42	-2.0	-90.11	351.15	1.85	-88.26
COC(C)(C)C1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020240311	0	39	-2.0	-109.89	335.19	0.77	-109.12
COC(C)(C)C1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020240311	1	39	-2.0	-109.90	335.25	0.79	-109.11
COC(C)(C)C1=NSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020240312	0	42	-2.0	-101.20	377.37	0.61	-100.59
COC(C)(C)C1=NSC([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020240312	1	42	-2.0	-101.19	377.42	0.63	-100.56
COC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020240313	0	39	-2.0	-90.10	336.02	0.83	-89.27
COC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020240313	1	39	-2.0	-90.09	335.95	0.82	-89.27
COC(C)(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020240314	0	45	-2.0	-108.92	360.06	2.91	-106.01
COC(C)(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020240314	1	45	-2.0	-108.98	360.01	2.90	-106.08
CC1(C2=NSC([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)CC1	REAL300020240315	0	39	-2.0	-86.46	352.13	4.17	-82.29
CC1(C2=NSC([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)CC1	REAL300020240315	1	39	-2.0	-86.46	352.07	4.14	-82.32
CC1(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)CC1	REAL300020240316	0	39	-2.0	-89.06	335.18	4.06	-85.00
CC1(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)CC1	REAL300020240316	1	39	-2.0	-89.04	335.12	4.04	-85.00
CC1(C2=NSC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)CC1	REAL300020240317	0	36	-2.0	-109.49	319.29	2.92	-106.57
CC1(C2=NSC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)CC1	REAL300020240317	1	36	-2.0	-109.45	319.35	2.95	-106.50
CSCC[C@H](NC(=O)[N-]C1=NC(C2(C)CC2)=NS1)C1=N[N-]N=N1	REAL300020240318	0	39	-2.0	-99.70	361.06	2.74	-96.96
CSCC[C@H](NC(=O)[N-]C1=NC(C2(C)CC2)=NS1)C1=NN=N[N-]1	REAL300020240318	1	39	-2.0	-99.72	361.11	2.75	-96.97
CC1(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)CC1	REAL300020240319	0	36	-2.0	-88.99	320.12	2.97	-86.02
CC1(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)CC1	REAL300020240319	1	36	-2.0	-89.00	320.04	2.96	-86.04
CC1(C2=NSC([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)CC1	REAL300020240320	0	42	-2.0	-107.95	343.75	5.04	-102.91
CC1(C2=NSC([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)CC1	REAL300020240320	1	42	-2.0	-107.90	343.70	5.02	-102.88
O=C([N-]C1=NC(CC2CC2)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240321	0	39	-2.0	-84.73	354.70	4.13	-80.60
O=C([N-]C1=NC(CC2CC2)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240321	1	39	-2.0	-84.69	354.64	4.10	-80.59
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240322	0	39	-2.0	-87.41	337.68	3.99	-83.42
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240322	1	39	-2.0	-87.41	337.74	4.00	-83.41
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020240323	0	36	-2.0	-107.59	321.84	2.89	-104.70
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020240323	1	36	-2.0	-107.59	321.90	2.89	-104.70
CSCC[C@H](NC(=O)[N-]C1=NC(CC2CC2)=NS1)C1=N[N-]N=N1	REAL300020240324	0	39	-2.0	-97.65	363.63	2.69	-94.96
CSCC[C@H](NC(=O)[N-]C1=NC(CC2CC2)=NS1)C1=NN=N[N-]1	REAL300020240324	1	39	-2.0	-97.66	363.68	2.70	-94.96
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240325	0	36	-2.0	-87.37	322.60	2.92	-84.45
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240325	1	36	-2.0	-87.33	322.68	2.93	-84.40
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240326	0	42	-2.0	-106.19	346.28	4.98	-101.21
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240326	1	42	-2.0	-106.19	346.32	4.99	-101.20
CC(=O)C1=CC(Br)=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240327	0	37	-1.0	-54.94	332.68	4.98	-49.96
CC(=O)C1=CC(Br)=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240327	1	37	-1.0	-54.92	332.74	4.98	-49.94
CC(=O)C1=CC(Br)=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240328	0	37	-1.0	-44.68	334.81	5.06	-39.62
CC(=O)C1=CC(Br)=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240328	1	37	-1.0	-44.68	334.89	5.06	-39.62
CN(C)C1=NC(N2CCOCC2)=NC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240329	0	51	-1.0	-52.88	397.04	2.85	-50.03
CN(C)C1=NC(N2CCOCC2)=NC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240329	1	51	-1.0	-52.90	397.10	2.88	-50.02
CN(C)C1=NC(N2CCOCC2)=[NH+]C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240329	1	52	0.0	-44.91	399.74	3.30	-41.61
CN(C)C1=NC(N2CCOCC2)=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240330	0	51	-1.0	-44.10	399.50	2.90	-41.20
CN(C)C1=NC(N2CCOCC2)=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240330	1	51	-1.0	-44.12	399.57	2.92	-41.20
CN(C)C1=NC(N2CCOCC2)=[NH+]C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240330	1	52	0.0	-47.98	400.36	3.39	-44.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=NC=C2CCOCC2=N1	REAL300020240331	0	41	-1.0	-55.92	348.04	4.87	-51.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=NC=C2CCOCC2=N1	REAL300020240331	1	41	-1.0	-55.96	347.98	4.84	-51.12
O=C(NC1=NC=C2CCOCC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240332	0	41	-1.0	-47.52	328.82	4.39	-43.13
O=C(NC1=NC=C2CCOCC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240332	1	41	-1.0	-47.53	328.87	4.40	-43.13
O=C(NC1=NC=C2CCOCC2=N1)N1CCCC1C1=N[N-]N=N1	REAL300020240333	0	38	-1.0	-57.14	313.34	3.46	-53.68
O=C(NC1=NC=C2CCOCC2=N1)N1CCCC1C1=NN=N[N-]1	REAL300020240333	1	38	-1.0	-57.18	313.40	3.48	-53.70
CSCC[C@H](NC(=O)NC1=NC=C2CCOCC2=N1)C1=N[N-]N=N1	REAL300020240334	0	41	-1.0	-50.00	356.97	3.43	-46.57
CSCC[C@H](NC(=O)NC1=NC=C2CCOCC2=N1)C1=NN=N[N-]1	REAL300020240334	1	41	-1.0	-49.95	357.02	3.44	-46.51
O=C(NC1=NC=C2CCOCC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240335	0	38	-1.0	-46.87	314.80	3.53	-43.34
O=C(NC1=NC=C2CCOCC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240335	1	38	-1.0	-46.90	314.87	3.54	-43.36
O=C(NC1=NC=C2CCOCC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240336	0	44	-1.0	-52.77	337.27	5.25	-47.52
O=C(NC1=NC=C2CCOCC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240336	1	44	-1.0	-52.80	337.32	5.26	-47.54
CN1N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C#N	REAL300020240337	0	36	-1.0	-47.87	325.59	3.75	-44.12
CN1N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C#N	REAL300020240337	1	36	-1.0	-47.84	325.53	3.72	-44.12
CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C#N	REAL300020240338	0	36	-1.0	-43.35	306.42	3.27	-40.08
CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C#N	REAL300020240338	1	36	-1.0	-43.34	306.36	3.25	-40.09
CSCC[C@H](NC(=O)NC1=NN(C)C(C#N)=C1)C1=NN=N[N-]1	REAL300020240339	0	36	-1.0	-45.08	334.53	2.33	-42.75
CSCC[C@H](NC(=O)NC1=NN(C)C(C#N)=C1)C1=N[N-]N=N1	REAL300020240339	1	36	-1.0	-45.11	334.47	2.31	-42.80
CN1N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C#N	REAL300020240340	0	39	-1.0	-47.58	314.41	4.15	-43.43
CN1N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C#N	REAL300020240340	1	39	-1.0	-47.55	314.37	4.12	-43.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)N[C@@H](C1=CC=C(F)C=C1)C(F)F	REAL300020240341	0	41	-1.0	-40.57	364.03	6.04	-34.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)N[C@@H](C1=CC=C(F)C=C1)C(F)F	REAL300020240341	1	41	-1.0	-40.60	363.98	6.02	-34.58
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240342	0	41	-1.0	-41.85	344.78	5.58	-36.27
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240342	1	41	-1.0	-41.87	344.84	5.59	-36.28
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240343	0	38	-1.0	-48.82	329.34	4.66	-44.16
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240343	1	38	-1.0	-48.83	329.40	4.69	-44.14
CSCC[C@H](NC(=O)N[C@@H](C1=CC=C(F)C=C1)C(F)F)C1=N[N-]N=N1	REAL300020240344	0	41	-1.0	-43.29	372.94	4.60	-38.69
CSCC[C@H](NC(=O)N[C@@H](C1=CC=C(F)C=C1)C(F)F)C1=NN=N[N-]1	REAL300020240344	1	41	-1.0	-43.34	372.99	4.62	-38.72
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240345	0	38	-1.0	-41.20	330.81	4.70	-36.50
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240345	1	38	-1.0	-41.24	330.88	4.71	-36.53
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240346	0	44	-1.0	-47.59	350.61	6.44	-41.15
O=C(N[C@@H](C1=CC=C(F)C=C1)C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240346	1	44	-1.0	-47.57	350.65	6.46	-41.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)N[C@H](C1=CC=C(F)C=C1)C(F)F	REAL300020240347	0	41	-1.0	-45.86	363.98	6.02	-39.84
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)N[C@H](C1=CC=C(F)C=C1)C(F)F	REAL300020240347	1	41	-1.0	-45.87	363.92	5.99	-39.88
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240348	0	41	-1.0	-45.81	341.84	5.48	-40.33
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240348	1	41	-1.0	-45.86	341.89	5.50	-40.36
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240349	0	38	-1.0	-48.96	329.25	4.61	-44.35
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240349	1	38	-1.0	-48.96	329.31	4.64	-44.32
CSCC[C@H](NC(=O)N[C@H](C1=CC=C(F)C=C1)C(F)F)C1=N[N-]N=N1	REAL300020240350	0	41	-1.0	-49.15	370.31	4.51	-44.64
CSCC[C@H](NC(=O)N[C@H](C1=CC=C(F)C=C1)C(F)F)C1=NN=N[N-]1	REAL300020240350	1	41	-1.0	-49.10	370.37	4.52	-44.58
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240351	0	38	-1.0	-41.31	330.71	4.67	-36.64
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240351	1	38	-1.0	-41.34	330.79	4.69	-36.65
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240352	0	44	-1.0	-46.07	353.18	6.52	-39.55
O=C(N[C@H](C1=CC=C(F)C=C1)C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240352	1	44	-1.0	-46.05	353.23	6.52	-39.53
COC1=CC=C(C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)F)C=C1	REAL300020240353	0	45	-1.0	-41.54	386.97	5.23	-36.31
COC1=CC=C(C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)F)C=C1	REAL300020240353	1	45	-1.0	-41.58	387.03	5.25	-36.33
COC1=CC=C(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)F)C=C1	REAL300020240354	0	45	-1.0	-42.47	367.83	4.79	-37.68
COC1=CC=C(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)F)C=C1	REAL300020240354	1	45	-1.0	-42.55	367.88	4.81	-37.74
COC1=CC=C(C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)F)C=C1	REAL300020240355	0	42	-1.0	-56.39	349.79	3.77	-52.62
COC1=CC=C(C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)F)C=C1	REAL300020240355	1	42	-1.0	-56.46	349.85	3.80	-52.66
COC1=CC=C(C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(F)F)C=C1	REAL300020240356	0	45	-1.0	-44.79	395.95	3.80	-40.99
COC1=CC=C(C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(F)F)C=C1	REAL300020240356	1	45	-1.0	-44.80	396.00	3.82	-40.98
COC1=CC=C(C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)F)C=C1	REAL300020240357	0	42	-1.0	-42.41	353.86	3.94	-38.47
COC1=CC=C(C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)F)C=C1	REAL300020240357	1	42	-1.0	-42.41	353.94	3.94	-38.47
COC1=CC=C(C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)F)C=C1	REAL300020240358	0	48	-1.0	-52.66	373.01	5.83	-46.83
COC1=CC=C(C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)F)C=C1	REAL300020240358	1	48	-1.0	-52.70	373.02	5.85	-46.85
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2N1C	REAL300020240359	0	48	-1.0	-46.78	382.11	6.75	-40.03
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2N1C	REAL300020240359	1	48	-1.0	-46.76	382.17	6.76	-40.00
COC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C2N1C	REAL300020240360	0	45	-1.0	-58.23	367.70	5.76	-52.47
COC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C2N1C	REAL300020240360	1	45	-1.0	-58.22	367.76	5.79	-52.43
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2N1C	REAL300020240361	0	45	-1.0	-47.00	369.04	5.83	-41.17
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2N1C	REAL300020240361	1	45	-1.0	-46.99	369.11	5.85	-41.14
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2N1C	REAL300020240362	0	51	-1.0	-54.10	392.31	7.62	-46.48
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2N1C	REAL300020240362	1	51	-1.0	-54.14	392.36	7.62	-46.52
CN1N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C1=CC=C(F)C=C1	REAL300020240363	0	45	-1.0	-44.24	384.34	6.79	-37.45
CN1N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C1=CC=C(F)C=C1	REAL300020240363	1	45	-1.0	-44.24	384.28	6.76	-37.48
CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C1=CC=C(F)C=C1	REAL300020240364	0	45	-1.0	-45.80	365.26	6.33	-39.47
CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C1=CC=C(F)C=C1	REAL300020240364	1	45	-1.0	-45.80	365.20	6.31	-39.49
CN1N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C1=CC=C(F)C=C1	REAL300020240365	0	42	-1.0	-55.38	349.78	5.41	-49.97
CN1N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C1=CC=C(F)C=C1	REAL300020240365	1	42	-1.0	-55.37	349.72	5.38	-49.99
CSCC[C@H](NC(=O)NC1=NN(C)C(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300020240366	0	45	-1.0	-48.69	393.44	5.37	-43.32
CSCC[C@H](NC(=O)NC1=NN(C)C(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300020240366	1	45	-1.0	-48.71	393.38	5.35	-43.36
CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=CC=C(F)C=C1	REAL300020240367	0	42	-1.0	-45.37	351.25	5.44	-39.93
CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=CC=C(F)C=C1	REAL300020240367	1	42	-1.0	-45.36	351.18	5.44	-39.92
CN1N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1=CC=C(F)C=C1	REAL300020240368	0	48	-1.0	-51.17	373.21	7.20	-43.97
CN1N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=CC=C(F)C=C1	REAL300020240368	1	48	-1.0	-51.14	373.17	7.19	-43.95
CCC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N(C)N=C1	REAL300020240369	0	41	-1.0	-43.88	346.69	4.59	-39.29
CCC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N(C)N=C1	REAL300020240369	1	41	-1.0	-43.85	346.64	4.57	-39.28
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N(C)N=C1	REAL300020240370	0	41	-1.0	-43.35	326.93	4.12	-39.23
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N(C)N=C1	REAL300020240370	1	41	-1.0	-43.38	326.87	4.10	-39.28
CCC1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N(C)N=C1	REAL300020240371	0	41	-1.0	-45.15	351.83	3.12	-42.03
CCC1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N(C)N=C1	REAL300020240371	1	41	-1.0	-45.16	351.77	3.11	-42.05
CCC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N(C)N=C1	REAL300020240372	0	44	-1.0	-49.97	334.56	4.96	-45.01
CCC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N(C)N=C1	REAL300020240372	1	44	-1.0	-49.98	334.52	4.94	-45.04
CN1N=C2CCOCC2=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240373	0	43	-1.0	-45.29	357.72	3.17	-42.12
CN1N=C2CCOCC2=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240373	1	43	-1.0	-45.26	357.66	3.14	-42.12
CN1N=C2CCOCC2=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240374	0	43	-1.0	-46.79	341.05	2.59	-44.20
CN1N=C2CCOCC2=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240374	1	43	-1.0	-46.83	341.11	2.61	-44.22
CN1N=C2CCOCC2=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240375	0	40	-1.0	-52.25	319.36	1.71	-50.54
CN1N=C2CCOCC2=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240375	1	40	-1.0	-52.29	319.42	1.74	-50.55
CSCC[C@H](NC(=O)NC1=C2COCCC2=NN1C)C1=N[N-]N=N1	REAL300020240376	0	43	-1.0	-46.33	362.85	1.67	-44.66
CSCC[C@H](NC(=O)NC1=C2COCCC2=NN1C)C1=NN=N[N-]1	REAL300020240376	1	43	-1.0	-46.33	362.90	1.69	-44.64
CN1N=C2CCOCC2=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240377	0	40	-1.0	-44.88	324.76	1.78	-43.10
CN1N=C2CCOCC2=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240377	1	40	-1.0	-44.87	324.83	1.78	-43.09
CN1N=C2CCOCC2=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240378	0	46	-1.0	-50.37	345.03	3.48	-46.89
CN1N=C2CCOCC2=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240378	1	46	-1.0	-50.39	345.13	3.48	-46.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC2=C1OCCC2	REAL300020240379	0	43	-1.0	-43.31	361.03	5.64	-37.67
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC2=C1OCCC2	REAL300020240379	1	43	-1.0	-43.27	360.97	5.61	-37.66
O=C(NC1=CC(F)=CC2=C1OCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240380	0	43	-1.0	-44.24	340.57	4.91	-39.33
O=C(NC1=CC(F)=CC2=C1OCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240380	1	43	-1.0	-44.23	340.63	4.92	-39.31
O=C(NC1=CC(F)=CC2=C1OCCC2)N1CCCC1C1=N[N-]N=N1	REAL300020240381	0	40	-1.0	-55.80	327.59	4.22	-51.58
O=C(NC1=CC(F)=CC2=C1OCCC2)N1CCCC1C1=NN=N[N-]1	REAL300020240381	1	40	-1.0	-55.82	327.65	4.24	-51.58
CSCC[C@H](NC(=O)NC1=CC(F)=CC2=C1OCCC2)C1=N[N-]N=N1	REAL300020240382	0	43	-1.0	-50.42	371.26	4.18	-46.24
CSCC[C@H](NC(=O)NC1=CC(F)=CC2=C1OCCC2)C1=NN=N[N-]1	REAL300020240382	1	43	-1.0	-50.42	371.32	4.19	-46.23
O=C(NC1=CC(F)=CC2=C1OCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020240383	0	40	-1.0	-45.33	328.30	4.27	-41.06
O=C(NC1=CC(F)=CC2=C1OCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020240383	1	40	-1.0	-45.32	328.38	4.28	-41.04
O=C(NC1=CC(F)=CC2=C1OCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020240384	0	46	-1.0	-53.64	348.96	6.01	-47.63
O=C(NC1=CC(F)=CC2=C1OCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020240384	1	46	-1.0	-53.65	348.99	6.04	-47.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)N[C@@H](C1=CC=CC=C1)C(F)F	REAL300020240385	0	41	-1.0	-42.60	357.36	6.02	-36.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)N[C@@H](C1=CC=CC=C1)C(F)F	REAL300020240385	1	41	-1.0	-42.58	357.30	6.00	-36.58
O=C(N[C@@H](C1=CC=CC=C1)C(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240386	0	41	-1.0	-42.05	338.37	5.51	-36.54
O=C(N[C@@H](C1=CC=CC=C1)C(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240386	1	41	-1.0	-42.09	338.43	5.52	-36.57
O=C(N[C@@H](C1=CC=CC=C1)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240387	0	38	-1.0	-56.28	320.78	4.56	-51.72
O=C(N[C@@H](C1=CC=CC=C1)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240387	1	38	-1.0	-56.32	320.83	4.57	-51.75
CSCC[C@H](NC(=O)N[C@@H](C1=CC=CC=C1)C(F)F)C1=N[N-]N=N1	REAL300020240388	0	41	-1.0	-44.20	366.55	4.54	-39.66
CSCC[C@H](NC(=O)N[C@@H](C1=CC=CC=C1)C(F)F)C1=NN=N[N-]1	REAL300020240388	1	41	-1.0	-44.23	366.61	4.56	-39.67
O=C(N[C@@H](C1=CC=CC=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240389	0	38	-1.0	-45.15	322.24	4.63	-40.52
O=C(N[C@@H](C1=CC=CC=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240389	1	38	-1.0	-45.12	322.31	4.65	-40.47
O=C(N[C@@H](C1=CC=CC=C1)C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240390	0	44	-1.0	-47.98	346.85	6.51	-41.47
O=C(N[C@@H](C1=CC=CC=C1)C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240390	1	44	-1.0	-48.00	346.90	6.51	-41.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C2CCOCC2)C=C1F	REAL300020240391	0	49	-1.0	-47.21	400.27	6.26	-40.95
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C2CCOCC2)C=C1F	REAL300020240391	1	49	-1.0	-47.19	400.33	6.28	-40.91
O=C(NC1=CC=C(C2CCOCC2)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240392	0	49	-1.0	-42.78	381.06	5.83	-36.95
O=C(NC1=CC=C(C2CCOCC2)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240392	1	49	-1.0	-42.80	381.12	5.85	-36.95
O=C(NC1=CC=C(C2CCOCC2)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020240393	0	46	-1.0	-51.90	366.12	4.88	-47.02
O=C(NC1=CC=C(C2CCOCC2)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020240393	1	46	-1.0	-51.88	366.18	4.89	-46.99
CSCC[C@H](NC(=O)NC1=CC=C(C2CCOCC2)C=C1F)C1=N[N-]N=N1	REAL300020240394	0	49	-1.0	-46.19	409.64	4.83	-41.36
CSCC[C@H](NC(=O)NC1=CC=C(C2CCOCC2)C=C1F)C1=NN=N[N-]1	REAL300020240394	1	49	-1.0	-46.16	409.70	4.85	-41.31
O=C(NC1=CC=C(C2CCOCC2)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240395	0	46	-1.0	-42.41	367.50	4.93	-37.48
O=C(NC1=CC=C(C2CCOCC2)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240395	1	46	-1.0	-42.38	367.57	4.94	-37.44
O=C(NC1=CC=C(C2CCOCC2)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240396	0	52	-1.0	-43.73	396.26	5.96	-37.77
O=C(NC1=CC=C(C2CCOCC2)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240396	1	52	-1.0	-43.76	396.31	5.98	-37.78
CP(C)(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020240397	0	44	-1.0	-57.83	383.24	4.38	-53.45
CP(C)(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020240397	1	44	-1.0	-57.79	383.18	4.35	-53.44
CP(C)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020240398	0	44	-1.0	-50.08	364.23	3.86	-46.22
CP(C)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020240398	1	44	-1.0	-50.07	364.29	3.88	-46.19
CP(C)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020240399	0	41	-1.0	-58.16	348.88	2.95	-55.21
CP(C)(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020240399	1	41	-1.0	-58.16	348.94	2.97	-55.19
CSCC[C@H](NC(=O)NC1=CC=CC(P(C)(C)=O)=C1)C1=N[N-]N=N1	REAL300020240400	0	44	-1.0	-59.49	392.36	2.90	-56.59
CSCC[C@H](NC(=O)NC1=CC=CC(P(C)(C)=O)=C1)C1=NN=N[N-]1	REAL300020240400	1	44	-1.0	-59.50	392.42	2.92	-56.58
CP(C)(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020240401	0	41	-1.0	-49.97	349.95	3.02	-46.95
CP(C)(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020240401	1	41	-1.0	-50.01	350.02	3.04	-46.97
CP(C)(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020240402	0	47	-1.0	-53.52	372.23	4.75	-48.77
CP(C)(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020240402	1	47	-1.0	-53.54	372.29	4.76	-48.78
CC1=CC(CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=CC(C)=N1	REAL300020240403	0	53	-1.0	-46.87	423.77	8.24	-38.63
CC1=CC(CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=CC(C)=N1	REAL300020240403	1	53	-1.0	-46.85	423.83	8.26	-38.59
CC1=CC(CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=CC(C)=N1	REAL300020240404	0	50	-1.0	-56.08	409.66	7.28	-48.80
CC1=CC(CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=CC(C)=N1	REAL300020240404	1	50	-1.0	-56.06	409.72	7.29	-48.77
CC1=CC(CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=CC(C)=N1	REAL300020240405	0	50	-1.0	-47.71	411.03	7.33	-40.38
CC1=CC(CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=CC(C)=N1	REAL300020240405	1	50	-1.0	-47.70	411.10	7.34	-40.36
CC(C)COC1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240406	0	48	-1.0	-39.71	404.33	6.83	-32.88
CC(C)COC1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240406	1	48	-1.0	-39.67	404.27	6.81	-32.86
CC(C)COC1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240407	0	48	-1.0	-41.40	386.65	6.30	-35.10
CC(C)COC1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240407	1	48	-1.0	-41.40	386.70	6.31	-35.09
CC(C)COC1=C(F)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240408	0	45	-1.0	-49.78	370.90	5.42	-44.36
CC(C)COC1=C(F)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240408	1	45	-1.0	-49.80	370.96	5.43	-44.37
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1OCC(C)C)C1=N[N-]N=N1	REAL300020240409	0	48	-1.0	-43.89	414.46	5.37	-38.52
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1OCC(C)C)C1=NN=N[N-]1	REAL300020240409	1	48	-1.0	-43.88	414.52	5.39	-38.49
CC(C)COC1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240410	0	45	-1.0	-40.78	372.29	5.46	-35.32
CC(C)COC1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240410	1	45	-1.0	-40.71	372.36	5.47	-35.24
CC(C)COC1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240411	0	51	-1.0	-46.08	394.11	7.20	-38.88
CC(C)COC1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240411	1	51	-1.0	-46.06	394.16	7.21	-38.85
CN1CCCC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020240412	0	47	-1.0	-54.40	377.61	5.31	-49.09
CN1CCCC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020240412	1	47	-1.0	-54.33	377.55	5.28	-49.05
CN1CCCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020240413	0	47	-1.0	-44.92	357.75	4.86	-40.06
CN1CCCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020240413	1	47	-1.0	-44.92	357.81	4.87	-40.05
CN1CCCC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020240414	0	44	-1.0	-55.05	343.01	3.92	-51.13
CN1CCCC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020240414	1	44	-1.0	-55.05	343.07	3.93	-51.12
CSCC[C@H](NC(=O)NC1=CC=C2CCCN(C)C2=C1)C1=N[N-]N=N1	REAL300020240415	0	47	-1.0	-48.62	386.32	3.91	-44.71
CSCC[C@H](NC(=O)NC1=CC=C2CCCN(C)C2=C1)C1=NN=N[N-]1	REAL300020240415	1	47	-1.0	-48.60	386.37	3.92	-44.68
CN1CCCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020240416	0	44	-1.0	-44.37	344.51	3.96	-40.41
CN1CCCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020240416	1	44	-1.0	-44.38	344.59	3.97	-40.41
CN1CCCC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020240417	0	50	-1.0	-51.47	366.68	5.72	-45.75
CN1CCCC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020240417	1	50	-1.0	-51.47	366.73	5.73	-45.74
CN1C=C(OC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)C=N1	REAL300020240418	0	46	-1.0	-54.30	396.45	5.45	-48.85
CN1C=C(OC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)C=N1	REAL300020240418	1	46	-1.0	-54.33	396.39	5.43	-48.90
CN1C=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C=N1	REAL300020240419	0	46	-1.0	-48.54	376.72	4.96	-43.58
CN1C=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C=N1	REAL300020240419	1	46	-1.0	-48.53	376.67	4.94	-43.59
CN1C=C(OC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C=N1	REAL300020240420	0	43	-1.0	-58.93	361.88	4.01	-54.92
CN1C=C(OC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C=N1	REAL300020240420	1	43	-1.0	-58.92	361.83	3.99	-54.93
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CN(C)N=C2)C=C1)C1=NN=N[N-]1	REAL300020240421	0	46	-1.0	-53.58	404.67	3.89	-49.69
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CN(C)N=C2)C=C1)C1=N[N-]N=N1	REAL300020240421	1	46	-1.0	-53.55	404.61	3.87	-49.68
CN1C=C(OC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=N1	REAL300020240422	0	43	-1.0	-48.24	362.53	3.98	-44.26
CN1C=C(OC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=N1	REAL300020240422	1	43	-1.0	-48.25	362.45	3.98	-44.27
CN1C=C(OC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C=N1	REAL300020240423	0	49	-1.0	-53.24	386.42	5.86	-47.38
CN1C=C(OC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C=N1	REAL300020240423	1	49	-1.0	-53.21	386.37	5.86	-47.35
CN1N=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020240424	0	41	-1.0	-46.32	352.24	4.83	-41.49
CN1N=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020240424	1	41	-1.0	-46.32	352.19	4.80	-41.52
CN1N=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020240425	0	41	-1.0	-45.60	333.55	4.29	-41.31
CN1N=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020240425	1	41	-1.0	-45.59	333.49	4.28	-41.31
CN1N=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020240426	0	38	-1.0	-59.99	317.95	3.40	-56.59
CN1N=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020240426	1	38	-1.0	-59.99	317.89	3.39	-56.60
CSCC[C@H](NC(=O)NC1=CC=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL300020240427	0	41	-1.0	-47.92	361.78	3.34	-44.58
CSCC[C@H](NC(=O)NC1=CC=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL300020240427	1	41	-1.0	-47.92	361.72	3.32	-44.60
CN1N=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020240428	0	38	-1.0	-48.28	319.38	3.44	-44.84
CN1N=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020240428	1	38	-1.0	-48.21	319.31	3.44	-44.77
CN1N=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020240429	0	44	-1.0	-43.00	345.86	4.43	-38.57
CN1N=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020240429	1	44	-1.0	-43.04	345.82	4.42	-38.62
CC1=NN(CC(F)(F)F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240430	0	41	-1.0	-43.75	365.41	4.50	-39.25
CC1=NN(CC(F)(F)F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240430	1	41	-1.0	-43.76	365.47	4.52	-39.24
CC1=NN(CC(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240431	0	41	-1.0	-45.65	346.23	4.01	-41.64
CC1=NN(CC(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240431	1	41	-1.0	-45.68	346.28	4.03	-41.65
CC1=NN(CC(F)(F)F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240432	0	38	-1.0	-53.09	330.77	3.10	-49.99
CC1=NN(CC(F)(F)F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240432	1	38	-1.0	-53.10	330.83	3.13	-49.97
CSCC[C@H](NC(=O)NC1=CN(CC(F)(F)F)N=C1C)C1=N[N-]N=N1	REAL300020240433	0	41	-1.0	-47.29	374.39	3.08	-44.21
CSCC[C@H](NC(=O)NC1=CN(CC(F)(F)F)N=C1C)C1=NN=N[N-]1	REAL300020240433	1	41	-1.0	-47.29	374.44	3.10	-44.19
CC1=NN(CC(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240434	0	38	-1.0	-44.64	332.25	3.15	-41.49
CC1=NN(CC(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240434	1	38	-1.0	-44.66	332.32	3.16	-41.50
CC1=NN(CC(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240435	0	44	-1.0	-49.75	354.78	5.01	-44.74
CC1=NN(CC(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240435	1	44	-1.0	-49.78	354.83	5.02	-44.76
CC1=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C(F)(F)F	REAL300020240436	0	40	-1.0	-47.74	353.79	5.94	-41.80
CC1=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C(F)(F)F	REAL300020240436	1	40	-1.0	-47.82	353.84	5.96	-41.86
CC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C(F)(F)F	REAL300020240437	0	40	-1.0	-40.99	332.12	4.83	-36.16
CC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C(F)(F)F	REAL300020240437	1	40	-1.0	-40.97	332.17	4.84	-36.13
CC1=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020240438	0	37	-1.0	-57.66	319.51	4.51	-53.15
CC1=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020240438	1	37	-1.0	-57.59	319.57	4.54	-53.05
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C(C)=N1)C1=N[N-]N=N1	REAL300020240439	0	40	-1.0	-50.31	363.03	4.49	-45.82
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C(C)=N1)C1=NN=N[N-]1	REAL300020240439	1	40	-1.0	-50.34	363.09	4.50	-45.84
CC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020240440	0	37	-1.0	-47.73	320.86	4.58	-43.15
CC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020240440	1	37	-1.0	-47.74	320.93	4.60	-43.14
CC1=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020240441	0	43	-1.0	-52.65	343.45	6.27	-46.38
CC1=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020240441	1	43	-1.0	-52.62	343.50	6.28	-46.34
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2SCCCC2=C1	REAL300020240442	0	43	-1.0	-56.52	365.93	7.00	-49.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2SCCCC2=C1	REAL300020240442	1	43	-1.0	-56.56	365.88	6.98	-49.58
O=C(NC1=CC=C2SCCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240443	0	43	-1.0	-43.93	346.70	6.53	-37.40
O=C(NC1=CC=C2SCCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240443	1	43	-1.0	-43.92	346.76	6.54	-37.38
O=C(NC1=CC=C2SCCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240444	0	40	-1.0	-54.59	331.57	5.58	-49.01
O=C(NC1=CC=C2SCCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240444	1	40	-1.0	-54.59	331.63	5.60	-48.99
CSCC[C@H](NC(=O)NC1=CC=C2SCCCC2=C1)C1=N[N-]N=N1	REAL300020240445	0	43	-1.0	-47.73	374.81	5.57	-42.16
CSCC[C@H](NC(=O)NC1=CC=C2SCCCC2=C1)C1=NN=N[N-]1	REAL300020240445	1	43	-1.0	-47.72	374.87	5.59	-42.13
O=C(NC1=CC=C2SCCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240446	0	40	-1.0	-45.73	332.91	5.64	-40.09
O=C(NC1=CC=C2SCCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240446	1	40	-1.0	-45.72	332.98	5.65	-40.07
O=C(NC1=CC=C2SCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240447	0	46	-1.0	-51.51	354.86	7.39	-44.12
O=C(NC1=CC=C2SCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240447	1	46	-1.0	-51.53	354.91	7.39	-44.14
CC1=CC=CC=C1CN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020240448	0	48	-1.0	-44.72	400.64	8.07	-36.65
CC1=CC=CC=C1CN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020240448	1	48	-1.0	-44.72	400.58	8.05	-36.67
CC1=CC=CC=C1CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020240449	0	48	-1.0	-46.45	381.55	7.59	-38.86
CC1=CC=CC=C1CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020240449	1	48	-1.0	-46.42	381.49	7.58	-38.84
CC1=CC=CC=C1CN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020240450	0	45	-1.0	-55.12	366.49	6.63	-48.49
CC1=CC=CC=C1CN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020240450	1	45	-1.0	-55.14	366.43	6.62	-48.52
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CC=C2C)C=C1)C1=NN=N[N-]1	REAL300020240451	0	48	-1.0	-49.20	410.11	6.60	-42.60
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CC=C2C)C=C1)C1=N[N-]N=N1	REAL300020240451	1	48	-1.0	-49.20	410.05	6.58	-42.62
CC1=CC=CC=C1CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020240452	0	45	-1.0	-45.63	367.56	6.72	-38.91
CC1=CC=CC=C1CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020240452	1	45	-1.0	-45.61	367.48	6.71	-38.90
CC1=CC=CC=C1CN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020240453	0	51	-1.0	-50.60	389.44	8.46	-42.14
CC1=CC=CC=C1CN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020240453	1	51	-1.0	-50.65	389.40	8.45	-42.20
COC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020240454	0	38	-1.0	-44.50	331.92	1.67	-42.83
COC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020240454	1	38	-1.0	-44.48	331.86	1.65	-42.83
COC1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020240455	0	35	-1.0	-52.30	316.36	0.74	-51.56
COC1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020240455	1	35	-1.0	-52.33	316.30	0.74	-51.59
COC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020240456	0	35	-1.0	-44.52	317.77	0.81	-43.71
COC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020240456	1	35	-1.0	-44.53	317.70	0.80	-43.73
COC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020240457	0	41	-1.0	-38.69	344.36	1.83	-36.86
COC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020240457	1	41	-1.0	-38.70	344.32	1.83	-36.87
CCC1=NOC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240458	0	37	-1.0	-40.41	321.16	3.57	-36.84
CCC1=NOC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240458	1	37	-1.0	-40.42	321.10	3.54	-36.88
CCC1=NOC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020240459	0	37	-1.0	-43.57	330.08	2.15	-41.42
CCC1=NOC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020240459	1	37	-1.0	-43.60	330.14	2.16	-41.44
CCC1=NOC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240460	0	40	-1.0	-47.30	310.47	4.08	-43.22
CCC1=NOC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240460	1	40	-1.0	-47.33	310.53	4.09	-43.24
CC1(C)CCC(C)(C)C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020240461	0	57	-1.0	-43.22	413.44	8.49	-34.73
CC1(C)CCC(C)(C)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020240461	1	57	-1.0	-43.22	413.50	8.50	-34.72
CC1(C)CCC(C)(C)C2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020240462	0	54	-1.0	-55.75	398.11	7.58	-48.17
CC1(C)CCC(C)(C)C2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020240462	1	54	-1.0	-55.74	398.17	7.60	-48.14
CC1(C)CCC(C)(C)C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020240463	0	54	-1.0	-43.73	399.46	7.62	-36.11
CC1(C)CCC(C)(C)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020240463	1	54	-1.0	-43.73	399.53	7.63	-36.10
CC1(C)CCC(C)(C)C2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020240464	0	60	-1.0	-43.53	426.15	8.62	-34.91
CC1(C)CCC(C)(C)C2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020240464	1	60	-1.0	-43.55	426.19	8.63	-34.92
O=C(NC1=NN2CCOCC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240465	0	40	-1.0	-44.46	337.76	2.78	-41.68
O=C(NC1=NN2CCOCC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240465	1	40	-1.0	-44.44	337.70	2.75	-41.69
O=C(NC1=NN2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240466	0	40	-1.0	-46.50	318.51	2.27	-44.23
O=C(NC1=NN2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240466	1	40	-1.0	-46.50	318.57	2.28	-44.22
O=C(NC1=NN2CCOCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240467	0	37	-1.0	-54.51	303.06	1.37	-53.14
O=C(NC1=NN2CCOCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240467	1	37	-1.0	-54.50	303.12	1.39	-53.11
CSCC[C@H](NC(=O)NC1=NN2CCOCC2=C1)C1=N[N-]N=N1	REAL300020240468	0	40	-1.0	-48.78	346.71	1.34	-47.44
CSCC[C@H](NC(=O)NC1=NN2CCOCC2=C1)C1=NN=N[N-]1	REAL300020240468	1	40	-1.0	-48.85	346.76	1.35	-47.50
O=C(NC1=NN2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240469	0	37	-1.0	-45.23	304.53	1.42	-43.81
O=C(NC1=NN2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240469	1	37	-1.0	-45.26	304.60	1.43	-43.83
O=C(NC1=NN2CCOCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240470	0	43	-1.0	-50.19	326.54	3.18	-47.01
O=C(NC1=NN2CCOCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240470	1	43	-1.0	-50.16	326.57	3.18	-46.98
O=C(NC1=CC=C2C=NSC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240471	0	37	-1.0	-47.20	335.12	4.94	-42.26
O=C(NC1=CC=C2C=NSC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240471	1	37	-1.0	-47.25	335.06	4.91	-42.34
O=C(NC1=CC=C2C=NSC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240472	0	37	-1.0	-43.43	316.02	4.46	-38.97
O=C(NC1=CC=C2C=NSC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240472	1	37	-1.0	-43.42	315.96	4.45	-38.97
O=C(NC1=CC=C2C=NSC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240473	0	34	-1.0	-58.14	300.63	3.56	-54.58
O=C(NC1=CC=C2C=NSC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240473	1	34	-1.0	-58.16	300.57	3.54	-54.62
CSCC[C@H](NC(=O)NC1=CC=C2C=NSC2=C1)C1=NN=N[N-]1	REAL300020240474	0	37	-1.0	-54.73	343.88	3.57	-51.16
CSCC[C@H](NC(=O)NC1=CC=C2C=NSC2=C1)C1=N[N-]N=N1	REAL300020240474	1	37	-1.0	-54.75	343.82	3.55	-51.20
O=C(NC1=CC=C2C=NSC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240475	0	34	-1.0	-49.72	301.78	3.65	-46.07
O=C(NC1=CC=C2C=NSC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240475	1	34	-1.0	-49.70	301.70	3.64	-46.06
O=C(NC1=CC=C2C=NSC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240476	0	40	-1.0	-40.65	328.34	4.62	-36.03
O=C(NC1=CC=C2C=NSC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240476	1	40	-1.0	-40.65	328.32	4.61	-36.04
CNC(=O)CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020240477	0	45	-1.0	-48.85	383.95	3.79	-45.06
CNC(=O)CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020240477	1	45	-1.0	-48.83	383.90	3.77	-45.06
CNC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020240478	0	45	-1.0	-52.76	365.30	3.25	-49.51
CNC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020240478	1	45	-1.0	-52.74	365.36	3.26	-49.48
CNC(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020240479	0	42	-1.0	-59.59	349.91	2.33	-57.26
CNC(=O)CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020240479	1	42	-1.0	-59.59	349.97	2.34	-57.25
CNC(=O)CC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020240480	0	45	-1.0	-52.82	393.11	2.33	-50.49
CNC(=O)CC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020240480	1	45	-1.0	-52.79	393.17	2.34	-50.45
CNC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020240481	0	42	-1.0	-50.59	350.96	2.40	-48.19
CNC(=O)CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020240481	1	42	-1.0	-50.62	351.03	2.41	-48.21
CNC(=O)CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020240482	0	48	-1.0	-54.10	379.64	3.43	-50.67
CNC(=O)CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020240482	1	48	-1.0	-54.10	379.69	3.45	-50.65
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C12	REAL300020240483	0	48	-1.0	-43.13	396.59	7.51	-35.62
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C12	REAL300020240483	1	48	-1.0	-43.13	396.53	7.49	-35.64
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C12	REAL300020240484	0	48	-1.0	-44.75	377.52	6.99	-37.76
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COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NC(OC)=N1	REAL300020240512	1	38	-1.0	-60.78	323.91	-1.46	-62.24
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CC1=C(C)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2N1	REAL300020240517	1	45	-1.0	-45.99	355.74	5.54	-40.45
CC1=C(C)C2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2N1	REAL300020240518	0	42	-1.0	-59.62	342.48	4.61	-55.01
CC1=C(C)C2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2N1	REAL300020240518	1	42	-1.0	-59.63	342.54	4.62	-55.01
CSCC[C@H](NC(=O)NC1=CC=C2NC(C)=C(C)C2=C1)C1=N[N-]N=N1	REAL300020240519	0	45	-1.0	-49.21	385.16	4.53	-44.68
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CC1=C(C)C2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1	REAL300020240521	1	48	-1.0	-47.06	370.25	5.70	-41.36
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CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)CF)C=C1)C1=N[N-]N=N1	REAL300020240525	0	41	-1.0	-48.65	372.02	5.01	-43.64
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)CF)C=C1)C1=NN=N[N-]1	REAL300020240525	1	41	-1.0	-48.67	372.08	5.02	-43.65
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C#CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020240533	0	39	-1.0	-55.78	315.58	6.04	-49.74
C#CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020240533	1	39	-1.0	-55.75	315.63	6.05	-49.70
O=C(NC1=C(C(F)F)N(C2=CC=NC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240534	0	44	-1.0	-45.55	364.17	4.29	-41.26
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O=C(NC1=C(C(F)F)N(C2=CC=NC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240535	0	41	-1.0	-56.10	346.55	3.45	-52.65
O=C(NC1=C(C(F)F)N(C2=CC=NC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240535	1	41	-1.0	-56.08	346.61	3.46	-52.62
O=C(NC1=C(C(F)F)N(C2=CC=NC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240536	0	41	-1.0	-45.78	347.93	3.49	-42.29
O=C(NC1=C(C(F)F)N(C2=CC=NC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240536	1	41	-1.0	-45.87	348.00	3.50	-42.37
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(C2CCOC2)=CC=N1	REAL300020240537	0	45	-1.0	-46.49	374.82	5.14	-41.35
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(C2CCOC2)=CC=N1	REAL300020240537	1	45	-1.0	-46.47	374.76	5.12	-41.35
O=C(NC1=CC(C2CCOC2)=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240538	0	45	-1.0	-43.29	352.85	4.02	-39.27
O=C(NC1=CC(C2CCOC2)=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240538	1	45	-1.0	-43.29	352.91	4.03	-39.26
O=C(NC1=CC(C2CCOC2)=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020240539	0	42	-1.0	-58.93	339.49	3.75	-55.18
O=C(NC1=CC(C2CCOC2)=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020240539	1	42	-1.0	-58.93	339.55	3.76	-55.17
CSCC[C@H](NC(=O)NC1=CC(C2CCOC2)=CC=N1)C1=N[N-]N=N1	REAL300020240540	0	45	-1.0	-52.35	383.01	3.71	-48.64
CSCC[C@H](NC(=O)NC1=CC(C2CCOC2)=CC=N1)C1=NN=N[N-]1	REAL300020240540	1	45	-1.0	-52.33	383.07	3.72	-48.61
O=C(NC1=CC(C2CCOC2)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240541	0	42	-1.0	-49.34	341.60	3.80	-45.54
O=C(NC1=CC(C2CCOC2)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240541	1	42	-1.0	-49.36	341.67	3.81	-45.55
O=C(NC1=CC(C2CCOC2)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240542	0	48	-1.0	-44.94	367.66	4.68	-40.26
O=C(NC1=CC(C2CCOC2)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240542	1	48	-1.0	-44.90	367.69	4.68	-40.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1OC1COC1	REAL300020240543	0	44	-1.0	-42.83	369.75	3.68	-39.15
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1OC1COC1	REAL300020240543	1	44	-1.0	-42.81	369.69	3.65	-39.16
O=C(NC1=CC=CC=C1OC1COC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240544	0	44	-1.0	-43.89	349.96	3.19	-40.70
O=C(NC1=CC=CC=C1OC1COC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240544	1	44	-1.0	-43.91	350.01	3.20	-40.71
O=C(NC1=CC=CC=C1OC1COC1)N1CCCC1C1=N[N-]N=N1	REAL300020240545	0	41	-1.0	-54.92	335.74	2.28	-52.64
O=C(NC1=CC=CC=C1OC1COC1)N1CCCC1C1=NN=N[N-]1	REAL300020240545	1	41	-1.0	-54.90	335.80	2.30	-52.60
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1COC1)C1=N[N-]N=N1	REAL300020240546	0	44	-1.0	-47.66	378.65	2.24	-45.42
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC1COC1)C1=NN=N[N-]1	REAL300020240546	1	44	-1.0	-47.68	378.71	2.25	-45.43
O=C(NC1=CC=CC=C1OC1COC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240547	0	41	-1.0	-44.02	336.28	2.34	-41.68
O=C(NC1=CC=CC=C1OC1COC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240547	1	41	-1.0	-44.04	336.36	2.36	-41.68
O=C(NC1=CC=CC=C1OC1COC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240548	0	47	-1.0	-41.53	361.18	3.29	-38.24
O=C(NC1=CC=CC=C1OC1COC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240548	1	47	-1.0	-41.56	361.26	3.30	-38.26
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1Br	REAL300020240549	0	38	-1.0	-42.98	329.51	2.39	-40.59
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN=C1Br	REAL300020240549	1	38	-1.0	-42.98	329.45	2.38	-40.60
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN=C1Br	REAL300020240550	0	35	-1.0	-50.44	314.00	1.49	-48.95
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN=C1Br	REAL300020240550	1	35	-1.0	-50.47	313.95	1.47	-49.00
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020240551	0	35	-1.0	-42.95	315.11	1.56	-41.39
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1Br	REAL300020240551	1	35	-1.0	-42.91	315.04	1.54	-41.37
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1Br	REAL300020240552	0	41	-1.0	-47.55	337.26	3.28	-44.27
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1Br	REAL300020240552	1	41	-1.0	-47.55	337.21	3.28	-44.27
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020240553	0	36	-1.0	-51.51	315.94	3.82	-47.69
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020240553	1	36	-1.0	-51.46	315.88	3.79	-47.67
CSCC[C@H](NC(=O)NC1=CC=C(C)N=N1)C1=N[N-]N=N1	REAL300020240554	0	36	-1.0	-58.46	324.88	2.38	-56.08
CSCC[C@H](NC(=O)NC1=CC=C(C)N=N1)C1=NN=N[N-]1	REAL300020240554	1	36	-1.0	-58.45	324.94	2.39	-56.06
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020240555	0	39	-1.0	-50.13	309.53	3.34	-46.79
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020240555	1	39	-1.0	-50.11	309.58	3.34	-46.77
O=C(NC(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240556	0	43	-1.0	-47.97	369.94	6.22	-41.75
O=C(NC(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240556	1	43	-1.0	-48.00	370.00	6.23	-41.77
O=C(NC(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240557	0	40	-1.0	-58.04	354.77	5.24	-52.80
O=C(NC(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240557	1	40	-1.0	-58.03	354.83	5.26	-52.77
O=C(NC(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240558	0	40	-1.0	-48.14	356.22	5.33	-42.81
O=C(NC(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240558	1	40	-1.0	-48.15	356.29	5.34	-42.81
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240559	0	44	-1.0	-49.24	381.59	6.31	-42.93
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240559	1	44	-1.0	-49.20	381.53	6.28	-42.92
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240560	0	44	-1.0	-51.76	362.37	5.81	-45.95
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240560	1	44	-1.0	-51.74	362.42	5.83	-45.91
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240561	0	41	-1.0	-64.26	346.87	4.91	-59.35
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240561	1	41	-1.0	-64.26	346.93	4.93	-59.33
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2)N=C1C)C1=N[N-]N=N1	REAL300020240562	0	44	-1.0	-55.85	390.52	4.87	-50.98
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2)N=C1C)C1=NN=N[N-]1	REAL300020240562	1	44	-1.0	-55.85	390.57	4.88	-50.97
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240563	0	41	-1.0	-52.38	348.37	4.95	-47.43
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240563	1	41	-1.0	-52.38	348.44	4.97	-47.41
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240564	0	47	-1.0	-60.76	370.58	6.68	-54.08
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240564	1	47	-1.0	-60.76	370.63	6.69	-54.07
CC(C)(C#N)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020240565	0	45	-1.0	-54.12	379.76	6.75	-47.37
CC(C)(C#N)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020240565	1	45	-1.0	-54.11	379.70	6.72	-47.39
CC(C)(C#N)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020240566	0	45	-1.0	-45.96	359.55	6.27	-39.69
CC(C)(C#N)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020240566	1	45	-1.0	-45.96	359.60	6.29	-39.67
CC(C)(C#N)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020240567	0	42	-1.0	-54.19	345.40	5.32	-48.87
CC(C)(C#N)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020240567	1	42	-1.0	-54.22	345.46	5.33	-48.89
CSCC[C@H](NC(=O)NC1=CC=CC(C(C)(C)C#N)=C1)C1=N[N-]N=N1	REAL300020240568	0	45	-1.0	-48.19	388.62	5.32	-42.87
CSCC[C@H](NC(=O)NC1=CC=CC(C(C)(C)C#N)=C1)C1=NN=N[N-]1	REAL300020240568	1	45	-1.0	-48.12	388.68	5.33	-42.79
CC(C)(C#N)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020240569	0	42	-1.0	-48.22	346.43	5.39	-42.83
CC(C)(C#N)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020240569	1	42	-1.0	-48.25	346.50	5.40	-42.85
CC(C)(C#N)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020240570	0	48	-1.0	-49.35	368.76	7.12	-42.23
CC(C)(C#N)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020240570	1	48	-1.0	-49.37	368.81	7.13	-42.24
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020240571	0	48	-1.0	-53.02	399.92	2.35	-50.67
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020240571	1	48	-1.0	-53.01	399.86	2.32	-50.69
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020240572	0	48	-1.0	-55.35	379.77	1.85	-53.50
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020240572	1	48	-1.0	-55.35	379.83	1.86	-53.49
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020240573	0	45	-1.0	-73.67	364.94	0.95	-72.72
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020240573	1	45	-1.0	-73.70	364.99	0.96	-72.74
CSCC[C@H](NC(=O)NC1=CC(C(N)=O)=CC=C1NC1CC1)C1=N[N-]N=N1	REAL300020240574	0	48	-1.0	-63.87	409.68	0.93	-62.94
CSCC[C@H](NC(=O)NC1=CC(C(N)=O)=CC=C1NC1CC1)C1=NN=N[N-]1	REAL300020240574	1	48	-1.0	-63.86	409.73	0.94	-62.92
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020240575	0	45	-1.0	-57.32	366.44	0.99	-56.33
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020240575	1	45	-1.0	-57.32	366.52	1.00	-56.32
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020240576	0	51	-1.0	-62.06	389.31	2.74	-59.32
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020240576	1	51	-1.0	-62.05	389.36	2.74	-59.31
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C2CCCCN21	REAL300020240577	0	51	-1.0	-50.66	400.52	7.35	-43.31
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C2CCCCN21	REAL300020240577	1	51	-1.0	-50.68	400.58	7.36	-43.32
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N=C2CCCCN21	REAL300020240578	0	48	-1.0	-62.07	385.14	6.45	-55.62
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N=C2CCCCN21	REAL300020240578	1	48	-1.0	-62.08	385.20	6.48	-55.60
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C2CCCCN21	REAL300020240579	0	48	-1.0	-50.27	386.61	6.51	-43.76
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C2CCCCN21	REAL300020240579	1	48	-1.0	-50.24	386.68	6.52	-43.72
COC(=O)C1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2S1	REAL300020240580	0	43	-1.0	-44.80	372.51	4.44	-40.36
COC(=O)C1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2S1	REAL300020240580	1	43	-1.0	-44.80	372.46	4.43	-40.37
COC(=O)C1=NC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2S1	REAL300020240581	0	40	-1.0	-59.27	356.98	3.55	-55.72
COC(=O)C1=NC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2S1	REAL300020240581	1	40	-1.0	-59.25	356.92	3.54	-55.71
COC(=O)C1=NC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2S1	REAL300020240582	0	40	-1.0	-48.14	358.64	3.57	-44.57
COC(=O)C1=NC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2S1	REAL300020240582	1	40	-1.0	-48.16	358.57	3.56	-44.60
O=C(NC1=CC=C(OCC2=NNC=N2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240583	0	45	-1.0	-63.62	389.14	5.09	-58.53
O=C(NC1=CC=C(OCC2=NNC=N2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240583	1	45	-1.0	-63.64	389.20	5.11	-58.53
O=C(NC1=CC=C(OCC2=NNC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240584	0	45	-1.0	-52.24	370.16	4.63	-47.61
O=C(NC1=CC=C(OCC2=NNC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240584	1	45	-1.0	-52.27	370.22	4.65	-47.62
O=C(NC1=CC=C(OCC2=NNC=N2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240585	0	42	-1.0	-61.71	354.65	3.73	-57.98
O=C(NC1=CC=C(OCC2=NNC=N2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240585	1	42	-1.0	-61.66	354.71	3.74	-57.92
CSCC[C@H](NC(=O)NC1=CC=C(OCC2=NNC=N2)C=C1)C1=N[N-]N=N1	REAL300020240586	0	45	-1.0	-57.36	398.18	3.69	-53.67
CSCC[C@H](NC(=O)NC1=CC=C(OCC2=NNC=N2)C=C1)C1=NN=N[N-]1	REAL300020240586	1	45	-1.0	-57.41	398.23	3.70	-53.71
O=C(NC1=CC=C(OCC2=NNC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240587	0	42	-1.0	-52.34	356.04	3.78	-48.56
O=C(NC1=CC=C(OCC2=NNC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240587	1	42	-1.0	-52.34	356.11	3.79	-48.55
O=C(NC1=CC=C(OCC2=NNC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240588	0	48	-1.0	-48.77	382.52	4.83	-43.94
O=C(NC1=CC=C(OCC2=NNC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240588	1	48	-1.0	-48.76	382.55	4.83	-43.93
COC1=CC(C)=NC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240589	0	44	-1.0	-46.43	367.49	5.01	-41.42
COC1=CC(C)=NC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240589	1	44	-1.0	-46.44	367.55	5.04	-41.40
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240589	1	45	0.0	-60.99	368.43	5.43	-55.56
COC1=CC(C)=NC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240590	0	44	-1.0	-45.69	348.79	4.60	-41.09
COC1=CC(C)=NC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240590	1	44	-1.0	-45.69	348.85	4.61	-41.08
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240590	1	45	0.0	-60.31	351.73	4.99	-55.32
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240590	1	45	0.0	-60.31	351.79	5.00	-55.31
COC1=CC(C)=NC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240591	0	41	-1.0	-57.43	338.52	2.49	-54.94
COC1=CC(C)=NC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240591	1	41	-1.0	-57.42	338.58	2.50	-54.92
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240591	1	42	0.0	-58.17	341.60	2.88	-55.29
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240591	1	42	0.0	-58.15	341.66	2.89	-55.26
COC1=CC(C)=NC(C)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020240592	0	44	-1.0	-50.76	382.24	2.45	-48.31
COC1=CC(C)=NC(C)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020240592	1	44	-1.0	-50.74	382.29	2.47	-48.27
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020240592	1	45	0.0	-58.33	385.14	2.84	-55.49
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020240592	1	45	0.0	-58.31	385.19	2.85	-55.46
COC1=CC(C)=NC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240593	0	41	-1.0	-47.46	340.04	2.54	-44.92
COC1=CC(C)=NC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240593	1	41	-1.0	-47.43	340.11	2.55	-44.88
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240593	1	42	0.0	-58.98	342.98	2.95	-56.03
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240593	1	42	0.0	-58.96	343.05	2.95	-56.01
COC1=CC(C)=NC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240594	0	47	-1.0	-51.92	357.09	5.10	-46.82
COC1=CC(C)=NC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240594	1	47	-1.0	-51.93	357.14	5.12	-46.81
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240594	1	48	0.0	-42.53	360.52	4.09	-38.44
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240594	1	48	0.0	-42.86	359.97	4.43	-38.43
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)N[C@H](C1CCOCC1)C(F)(F)F	REAL300020240595	0	45	-1.0	-41.74	369.51	4.07	-37.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)N[C@H](C1CCOCC1)C(F)(F)F	REAL300020240595	1	45	-1.0	-41.75	369.57	4.09	-37.66
O=C(N[C@H](C1CCOCC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240596	0	45	-1.0	-43.46	350.92	3.57	-39.89
O=C(N[C@H](C1CCOCC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240596	1	45	-1.0	-43.47	350.98	3.59	-39.88
O=C(N[C@H](C1CCOCC1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240597	0	42	-1.0	-50.62	335.24	2.66	-47.96
O=C(N[C@H](C1CCOCC1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240597	1	42	-1.0	-50.65	335.29	2.69	-47.96
CSCC[C@H](NC(=O)N[C@H](C1CCOCC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020240598	0	45	-1.0	-47.36	378.82	2.64	-44.72
CSCC[C@H](NC(=O)N[C@H](C1CCOCC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020240598	1	45	-1.0	-47.35	378.88	2.66	-44.69
O=C(N[C@H](C1CCOCC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240599	0	42	-1.0	-42.64	336.68	2.73	-39.91
O=C(N[C@H](C1CCOCC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240599	1	42	-1.0	-42.66	336.76	2.74	-39.92
O=C(N[C@H](C1CCOCC1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240600	0	48	-1.0	-49.30	354.09	4.62	-44.68
O=C(N[C@H](C1CCOCC1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240600	1	48	-1.0	-49.30	354.12	4.64	-44.66
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(C=C1Cl)OCCC2	REAL300020240601	0	43	-1.0	-49.66	370.50	6.03	-43.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(C=C1Cl)OCCC2	REAL300020240601	1	43	-1.0	-49.67	370.45	6.00	-43.67
O=C(NC1=CC2=C(C=C1Cl)OCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240602	0	43	-1.0	-41.58	350.99	5.54	-36.04
O=C(NC1=CC2=C(C=C1Cl)OCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240602	1	43	-1.0	-41.56	351.05	5.56	-36.00
O=C(NC1=CC2=C(C=C1Cl)OCCC2)N1CCCC1C1=N[N-]N=N1	REAL300020240603	0	40	-1.0	-50.73	336.32	4.62	-46.11
O=C(NC1=CC2=C(C=C1Cl)OCCC2)N1CCCC1C1=NN=N[N-]1	REAL300020240603	1	40	-1.0	-50.72	336.38	4.63	-46.09
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1Cl)OCCC2)C1=N[N-]N=N1	REAL300020240604	0	43	-1.0	-44.82	380.73	4.61	-40.21
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1Cl)OCCC2)C1=NN=N[N-]1	REAL300020240604	1	43	-1.0	-44.82	380.79	4.62	-40.20
O=C(NC1=CC2=C(C=C1Cl)OCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020240605	0	40	-1.0	-41.84	338.59	4.68	-37.16
O=C(NC1=CC2=C(C=C1Cl)OCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020240605	1	40	-1.0	-41.83	338.66	4.70	-37.13
O=C(NC1=CC2=C(C=C1Cl)OCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020240606	0	46	-1.0	-47.50	360.44	6.42	-41.08
O=C(NC1=CC2=C(C=C1Cl)OCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020240606	1	46	-1.0	-47.53	360.50	6.42	-41.11
O=C(NC1=CC=C(F)C=C1OCC1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020240607	0	52	-1.0	-50.92	407.84	7.20	-43.72
O=C(NC1=CC=C(F)C=C1OCC1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020240607	1	52	-1.0	-50.88	407.90	7.22	-43.66
O=C(NC1=CC=C(F)C=C1OCC1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240608	0	52	-1.0	-41.04	409.37	7.24	-33.80
O=C(NC1=CC=C(F)C=C1OCC1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240608	1	52	-1.0	-41.00	409.44	7.26	-33.74
COC1=NC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2C=C1	REAL300020240609	0	44	-1.0	-44.08	376.60	3.64	-40.44
COC1=NC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2C=C1	REAL300020240609	1	44	-1.0	-44.09	376.54	3.62	-40.47
COC1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2C=C1	REAL300020240610	0	44	-1.0	-45.19	357.41	3.18	-42.01
COC1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2C=C1	REAL300020240610	1	44	-1.0	-45.14	357.35	3.17	-41.97
COC1=NC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2C=C1	REAL300020240611	0	41	-1.0	-53.80	341.83	2.30	-51.50
COC1=NC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2C=C1	REAL300020240611	1	41	-1.0	-53.76	341.77	2.28	-51.48
COC1=NC2=CC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C2C=C1	REAL300020240612	0	44	-1.0	-47.39	385.34	2.27	-45.12
COC1=NC2=CC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C2C=C1	REAL300020240612	1	44	-1.0	-47.37	385.28	2.24	-45.13
COC1=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2C=C1	REAL300020240613	0	41	-1.0	-45.10	343.51	2.32	-42.78
COC1=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2C=C1	REAL300020240613	1	41	-1.0	-45.07	343.44	2.31	-42.76
COC1=NC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2C=C1	REAL300020240614	0	47	-1.0	-46.76	371.77	3.38	-43.38
COC1=NC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2C=C1	REAL300020240614	1	47	-1.0	-46.73	371.72	3.37	-43.36
COC1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020240615	0	41	-1.0	-46.09	349.37	4.04	-42.05
COC1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020240615	1	41	-1.0	-46.07	349.31	4.01	-42.06
COC1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020240616	0	41	-1.0	-48.15	330.16	3.53	-44.62
COC1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020240616	1	41	-1.0	-48.15	330.10	3.52	-44.63
COC1=CC=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020240617	0	38	-1.0	-60.14	314.74	2.65	-57.49
COC1=CC=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020240617	1	38	-1.0	-60.11	314.68	2.62	-57.49
COC1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020240618	0	41	-1.0	-52.30	358.33	2.60	-49.70
COC1=CC=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020240618	1	41	-1.0	-52.35	358.27	2.59	-49.76
COC1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020240619	0	38	-1.0	-49.00	316.19	2.71	-46.29
COC1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020240619	1	38	-1.0	-48.99	316.12	2.70	-46.29
COC1=CC=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020240620	0	44	-1.0	-53.56	336.34	4.48	-49.08
COC1=CC=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020240620	1	44	-1.0	-53.54	336.32	4.48	-49.06
O=C(NC1=CN=NN1C1CC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240621	0	38	-1.0	-44.42	330.45	3.73	-40.69
O=C(NC1=CN=NN1C1CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240621	1	38	-1.0	-44.44	330.39	3.70	-40.74
O=C(NC1=CN=NN1C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240622	0	38	-1.0	-45.67	311.26	3.25	-42.42
O=C(NC1=CN=NN1C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240622	1	38	-1.0	-45.66	311.20	3.23	-42.43
CSCC[C@H](NC(=O)NC1=CN=NN1C1CC1)C1=NN=N[N-]1	REAL300020240623	0	38	-1.0	-48.21	339.43	2.30	-45.91
CSCC[C@H](NC(=O)NC1=CN=NN1C1CC1)C1=N[N-]N=N1	REAL300020240623	1	38	-1.0	-48.21	339.37	2.29	-45.92
O=C(NC1=CN=NN1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240624	0	41	-1.0	-53.21	319.32	4.11	-49.10
O=C(NC1=CN=NN1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240624	1	41	-1.0	-53.18	319.28	4.08	-49.10
COC(=O)C1(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CCC1	REAL300020240625	0	51	-1.0	-46.78	399.02	7.35	-39.43
COC(=O)C1(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CCC1	REAL300020240625	1	51	-1.0	-46.81	399.08	7.36	-39.45
COC(=O)C1(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CCC1	REAL300020240626	0	48	-1.0	-58.10	383.25	6.45	-51.65
COC(=O)C1(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CCC1	REAL300020240626	1	48	-1.0	-58.04	383.31	6.48	-51.56
COC(=O)C1(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CCC1	REAL300020240627	0	48	-1.0	-46.53	384.90	6.48	-40.05
COC(=O)C1(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CCC1	REAL300020240627	1	48	-1.0	-46.57	384.97	6.49	-40.08
COC(=O)C1(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CCC1	REAL300020240628	0	54	-1.0	-50.40	406.82	8.26	-42.14
COC(=O)C1(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CCC1	REAL300020240628	1	54	-1.0	-50.43	406.87	8.26	-42.17
CC1=C(Br)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020240629	0	41	-1.0	-41.84	335.85	6.19	-35.65
CC1=C(Br)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020240629	1	41	-1.0	-41.84	335.91	6.20	-35.64
CC1=C(Br)C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020240630	0	38	-1.0	-54.10	322.33	5.35	-48.75
CC1=C(Br)C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020240630	1	38	-1.0	-54.10	322.39	5.37	-48.73
CSCC[C@H](NC(=O)NC1=CC=C(Br)C(C)=C1C)C1=N[N-]N=N1	REAL300020240631	0	41	-1.0	-46.97	364.91	5.25	-41.72
CSCC[C@H](NC(=O)NC1=CC=C(Br)C(C)=C1C)C1=NN=N[N-]1	REAL300020240631	1	41	-1.0	-46.96	364.97	5.27	-41.69
CC1=C(Br)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020240632	0	38	-1.0	-43.12	322.71	5.35	-37.77
CC1=C(Br)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020240632	1	38	-1.0	-43.16	322.78	5.36	-37.80
CC1=C(Br)C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020240633	0	44	-1.0	-48.28	345.68	7.08	-41.20
CC1=C(Br)C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020240633	1	44	-1.0	-48.25	345.73	7.09	-41.16
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1(C(F)(F)F)CC2(CCC2)C1	REAL300020240634	0	45	-1.0	-45.58	375.65	5.98	-39.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1(C(F)(F)F)CC2(CCC2)C1	REAL300020240634	1	45	-1.0	-45.59	375.71	6.00	-39.59
O=C(NC1(C(F)(F)F)CC2(CCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240635	0	45	-1.0	-44.27	357.13	5.58	-38.69
O=C(NC1(C(F)(F)F)CC2(CCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240635	1	45	-1.0	-44.29	357.19	5.60	-38.69
O=C(NC1(C(F)(F)F)CC2(CCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL300020240636	0	42	-1.0	-55.97	341.44	4.56	-51.41
O=C(NC1(C(F)(F)F)CC2(CCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL300020240636	1	42	-1.0	-55.97	341.50	4.59	-51.38
CSCC[C@H](NC(=O)NC1(C(F)(F)F)CC2(CCC2)C1)C1=N[N-]N=N1	REAL300020240637	0	45	-1.0	-47.90	385.37	4.60	-43.30
CSCC[C@H](NC(=O)NC1(C(F)(F)F)CC2(CCC2)C1)C1=NN=N[N-]1	REAL300020240637	1	45	-1.0	-47.95	385.42	4.62	-43.33
O=C(NC1(C(F)(F)F)CC2(CCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240638	0	42	-1.0	-44.86	342.74	4.64	-40.22
O=C(NC1(C(F)(F)F)CC2(CCC2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240638	1	42	-1.0	-44.82	342.81	4.64	-40.18
O=C(NC1(C(F)(F)F)CC2(CCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240639	0	48	-1.0	-51.66	359.26	6.54	-45.12
O=C(NC1(C(F)(F)F)CC2(CCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240639	1	48	-1.0	-51.65	359.32	6.54	-45.11
N#CC1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020240640	0	36	-1.0	-43.79	330.43	5.22	-38.57
N#CC1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020240640	1	36	-1.0	-43.78	330.49	5.24	-38.54
N#CC1=C(F)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020240641	0	33	-1.0	-51.30	314.87	4.33	-46.97
N#CC1=C(F)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020240641	1	33	-1.0	-51.31	314.93	4.35	-46.96
N#CC1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020240642	0	33	-1.0	-43.63	316.26	4.39	-39.24
N#CC1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020240642	1	33	-1.0	-43.59	316.34	4.39	-39.20
CC(=O)C1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020240643	0	43	-1.0	-51.52	361.65	6.09	-45.43
CC(=O)C1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020240643	1	43	-1.0	-51.52	361.59	6.06	-45.46
CC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020240644	0	43	-1.0	-53.48	341.46	5.55	-47.93
CC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020240644	1	43	-1.0	-53.48	341.52	5.57	-47.91
CC(=O)C1=CC=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020240645	0	40	-1.0	-66.06	326.76	4.61	-61.45
CC(=O)C1=CC=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020240645	1	40	-1.0	-66.06	326.82	4.64	-61.42
CSCC[C@H](NC(=O)NC1=CC(C(C)=O)=CC=C1C)C1=N[N-]N=N1	REAL300020240646	0	43	-1.0	-56.92	371.26	4.63	-52.29
CSCC[C@H](NC(=O)NC1=CC(C(C)=O)=CC=C1C)C1=NN=N[N-]1	REAL300020240646	1	43	-1.0	-56.92	371.32	4.65	-52.27
CC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020240647	0	40	-1.0	-55.63	328.10	4.68	-50.95
CC(=O)C1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020240647	1	40	-1.0	-55.63	328.17	4.69	-50.94
CC(=O)C1=CC=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020240648	0	46	-1.0	-60.37	349.71	6.38	-53.99
CC(=O)C1=CC=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020240648	1	46	-1.0	-60.34	349.77	6.38	-53.96
N#CC1=CN(CC(F)(F)F)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240649	0	39	-1.0	-53.27	368.23	5.57	-47.70
N#CC1=CN(CC(F)(F)F)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240649	1	39	-1.0	-53.27	368.17	5.55	-47.72
N#CC1=CN(CC(F)(F)F)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240650	0	39	-1.0	-55.42	349.07	5.09	-50.33
N#CC1=CN(CC(F)(F)F)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240650	1	39	-1.0	-55.37	349.01	5.07	-50.30
N#CC1=CN(CC(F)(F)F)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240651	0	36	-1.0	-65.54	333.57	4.17	-61.37
N#CC1=CN(CC(F)(F)F)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240651	1	36	-1.0	-65.55	333.51	4.17	-61.38
CSCC[C@H](NC(=O)NC1=NN(CC(F)(F)F)C=C1C#N)C1=NN=N[N-]1	REAL300020240652	0	39	-1.0	-57.24	377.26	4.14	-53.10
CSCC[C@H](NC(=O)NC1=NN(CC(F)(F)F)C=C1C#N)C1=N[N-]N=N1	REAL300020240652	1	39	-1.0	-57.26	377.21	4.13	-53.13
N#CC1=CN(CC(F)(F)F)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240653	0	36	-1.0	-54.87	335.08	4.25	-50.62
N#CC1=CN(CC(F)(F)F)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240653	1	36	-1.0	-54.87	335.00	4.23	-50.64
N#CC1=CN(CC(F)(F)F)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240654	0	42	-1.0	-59.93	357.51	5.96	-53.97
N#CC1=CN(CC(F)(F)F)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240654	1	42	-1.0	-59.88	357.46	5.94	-53.94
O=C(NC1=CC=NN1CCN1CCOCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240655	0	51	-1.0	-42.90	413.55	2.79	-40.11
O=C(NC1=CC=NN1CCN1CCOCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240655	1	51	-1.0	-42.92	413.61	2.82	-40.10
O=C(NC1=CC=NN1CCN1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240656	0	51	-1.0	-45.29	394.33	2.32	-42.97
O=C(NC1=CC=NN1CCN1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240656	1	51	-1.0	-45.32	394.39	2.33	-42.99
O=C(NC1=CC=NN1CCN1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020240657	0	48	-1.0	-53.37	378.89	1.42	-51.95
O=C(NC1=CC=NN1CCN1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020240657	1	48	-1.0	-53.41	378.95	1.44	-51.97
CSCC[C@H](NC(=O)NC1=CC=NN1CCN1CCOCC1)C1=N[N-]N=N1	REAL300020240658	0	51	-1.0	-46.72	422.51	1.38	-45.34
CSCC[C@H](NC(=O)NC1=CC=NN1CCN1CCOCC1)C1=NN=N[N-]1	REAL300020240658	1	51	-1.0	-46.72	422.57	1.39	-45.33
O=C(NC1=CC=NN1CCN1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240659	0	48	-1.0	-44.25	380.36	1.46	-42.79
O=C(NC1=CC=NN1CCN1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240659	1	48	-1.0	-44.23	380.44	1.48	-42.75
O=C(NC1=CC=NN1CCN1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240660	0	54	-1.0	-49.92	402.37	3.22	-46.70
O=C(NC1=CC=NN1CCN1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240660	1	54	-1.0	-49.96	402.41	3.22	-46.74
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240661	0	51	-1.0	-46.22	406.66	6.86	-39.36
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240661	1	51	-1.0	-46.29	406.72	6.87	-39.42
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240662	0	48	-1.0	-57.31	395.13	5.97	-51.34
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240662	1	48	-1.0	-57.25	395.19	5.99	-51.26
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240663	0	48	-1.0	-47.59	396.36	6.04	-41.55
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240663	1	48	-1.0	-47.59	396.44	6.04	-41.55
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240664	0	54	-1.0	-44.55	419.72	6.76	-37.79
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240664	1	54	-1.0	-44.53	419.72	6.78	-37.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC2=C1CCCC2	REAL300020240665	0	44	-1.0	-41.88	357.11	5.62	-36.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC2=C1CCCC2	REAL300020240665	1	44	-1.0	-41.89	357.16	5.64	-36.25
O=C(NC1=CC=NC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240666	0	44	-1.0	-42.88	338.37	5.15	-37.73
O=C(NC1=CC=NC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240666	1	44	-1.0	-42.87	338.43	5.16	-37.71
O=C(NC1=CC=NC2=C1CCCC2)N1CCCC1C1=N[N-]N=N1	REAL300020240667	0	41	-1.0	-54.51	323.99	4.29	-50.22
O=C(NC1=CC=NC2=C1CCCC2)N1CCCC1C1=NN=N[N-]1	REAL300020240667	1	41	-1.0	-54.49	324.05	4.31	-50.18
CSCC[C@H](NC(=O)NC1=CC=NC2=C1CCCC2)C1=N[N-]N=N1	REAL300020240668	0	44	-1.0	-47.44	366.59	4.21	-43.23
CSCC[C@H](NC(=O)NC1=CC=NC2=C1CCCC2)C1=NN=N[N-]1	REAL300020240668	1	44	-1.0	-47.45	366.65	4.22	-43.23
O=C(NC1=CC=NC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020240669	0	41	-1.0	-43.90	325.37	4.33	-39.57
O=C(NC1=CC=NC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020240669	1	41	-1.0	-43.90	325.44	4.35	-39.55
O=C(NC1=CC=NC2=C1CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020240670	0	47	-1.0	-50.04	345.97	6.03	-44.01
O=C(NC1=CC=NC2=C1CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020240670	1	47	-1.0	-50.05	346.02	6.03	-44.02
COC1=CC(S(N)(=O)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240671	0	44	-1.0	-48.67	366.08	-1.33	-50.00
COC1=CC(S(N)(=O)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240671	1	44	-1.0	-48.64	366.13	-1.31	-49.95
COC1=CC(S(N)(=O)=O)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240672	0	41	-1.0	-58.75	350.71	-2.25	-61.00
COC1=CC(S(N)(=O)=O)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240672	1	41	-1.0	-58.75	350.77	-2.22	-60.97
COC1=CC(S(N)(=O)=O)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240673	0	41	-1.0	-49.14	352.88	-2.21	-51.35
COC1=CC(S(N)(=O)=O)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240673	1	41	-1.0	-49.12	352.95	-2.20	-51.32
COC1=CC(S(N)(=O)=O)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240674	0	47	-1.0	-56.12	374.46	-0.34	-56.46
COC1=CC(S(N)(=O)=O)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240674	1	47	-1.0	-56.19	374.51	-0.33	-56.52
COC(=O)C1=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(C)=N1	REAL300020240675	0	39	-2.0	-89.38	361.10	2.58	-86.80
COC(=O)C1=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C)=N1	REAL300020240675	1	39	-2.0	-89.34	361.05	2.55	-86.79
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(C)=N1	REAL300020240675	1	40	-1.0	-42.11	361.75	3.49	-38.62
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C)=N1	REAL300020240675	1	40	-1.0	-42.09	361.69	3.47	-38.62
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C)=N1	REAL300020240676	0	40	-1.0	-43.27	342.50	3.02	-40.25
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C)=N1	REAL300020240676	1	40	-1.0	-43.29	342.55	3.04	-40.25
COC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)SC(C)=N1	REAL300020240677	0	37	-1.0	-49.09	327.07	2.11	-46.98
COC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)SC(C)=N1	REAL300020240677	1	37	-1.0	-49.07	327.13	2.13	-46.94
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC(C)=N1	REAL300020240678	0	40	-1.0	-44.16	370.67	2.06	-42.10
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC(C)=N1	REAL300020240678	1	40	-1.0	-44.17	370.72	2.08	-42.09
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C)=N1	REAL300020240679	0	37	-1.0	-41.25	328.53	2.15	-39.10
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C)=N1	REAL300020240679	1	37	-1.0	-41.25	328.60	2.16	-39.09
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C)=N1	REAL300020240680	0	43	-1.0	-45.25	350.74	3.89	-41.36
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C)=N1	REAL300020240680	1	43	-1.0	-45.28	350.79	3.89	-41.39
CC(=O)NC1=C(F)C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1F	REAL300020240681	0	42	-1.0	-53.93	367.20	3.91	-50.02
CC(=O)NC1=C(F)C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1F	REAL300020240681	1	42	-1.0	-53.92	367.14	3.88	-50.04
CC(=O)NC1=C(F)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1F	REAL300020240682	0	42	-1.0	-45.81	347.31	3.41	-42.40
CC(=O)NC1=C(F)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1F	REAL300020240682	1	42	-1.0	-45.80	347.37	3.42	-42.38
CC(=O)NC1=C(F)C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1F	REAL300020240683	0	39	-1.0	-53.52	335.00	2.52	-51.00
CC(=O)NC1=C(F)C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1F	REAL300020240683	1	39	-1.0	-53.54	335.06	2.53	-51.01
CSCC[C@H](NC(=O)NC1=CC=C(F)C(NC(C)=O)=C1F)C1=N[N-]N=N1	REAL300020240684	0	42	-1.0	-48.08	378.69	2.47	-45.61
CSCC[C@H](NC(=O)NC1=CC=C(F)C(NC(C)=O)=C1F)C1=NN=N[N-]1	REAL300020240684	1	42	-1.0	-48.11	378.74	2.48	-45.63
CC(=O)NC1=C(F)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020240685	0	39	-1.0	-46.13	334.37	2.57	-43.56
CC(=O)NC1=C(F)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020240685	1	39	-1.0	-46.20	334.44	2.57	-43.63
CC(=O)NC1=C(F)C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020240686	0	45	-1.0	-43.29	359.28	3.70	-39.59
CC(=O)NC1=C(F)C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020240686	1	45	-1.0	-43.32	359.32	3.71	-39.61
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240687	0	39	-2.0	-92.07	367.73	4.77	-87.30
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240687	1	39	-2.0	-92.03	367.79	4.79	-87.24
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240688	0	39	-2.0	-94.44	350.73	4.66	-89.78
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240688	1	39	-2.0	-94.45	350.79	4.67	-89.78
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020240689	0	36	-2.0	-117.86	334.94	3.54	-114.32
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020240689	1	36	-2.0	-117.85	335.00	3.57	-114.28
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C1=N[N-]N=N1	REAL300020240690	0	39	-2.0	-107.34	376.71	3.36	-103.98
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C1=NN=N[N-]1	REAL300020240690	1	39	-2.0	-107.35	376.76	3.38	-103.97
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240691	0	36	-2.0	-95.96	335.68	3.58	-92.38
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240691	1	36	-2.0	-95.93	335.76	3.60	-92.33
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240692	0	42	-2.0	-114.23	359.34	5.64	-108.59
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240692	1	42	-2.0	-114.28	359.39	5.64	-108.64
O=C(NC1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240693	0	37	-1.0	-44.63	344.53	5.01	-39.62
O=C(NC1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240693	1	37	-1.0	-44.67	344.47	4.99	-39.68
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240693	1	36	-2.0	-84.17	343.49	4.18	-79.99
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240693	1	36	-2.0	-84.21	343.44	4.17	-80.04
O=C(NC1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020240694	0	34	-1.0	-54.08	329.10	4.11	-49.97
O=C(NC1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020240694	1	34	-1.0	-54.10	329.05	4.08	-50.02
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020240694	1	33	-2.0	-105.07	327.65	3.04	-102.03
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020240694	1	33	-2.0	-105.05	327.71	3.07	-101.98
O=C(NC1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240695	0	34	-1.0	-44.89	330.58	4.16	-40.73
O=C(NC1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240695	1	34	-1.0	-44.85	330.51	4.15	-40.70
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240695	1	33	-2.0	-85.35	328.50	3.13	-82.22
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240695	1	33	-2.0	-85.34	328.42	3.11	-82.23
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240696	0	46	-1.0	-49.20	383.51	1.78	-47.42
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240696	1	46	-1.0	-49.21	383.46	1.76	-47.45
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240697	0	46	-1.0	-50.88	364.31	1.31	-49.57
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240697	1	46	-1.0	-50.89	364.25	1.29	-49.60
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240698	0	43	-1.0	-61.09	348.87	0.40	-60.69
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240698	1	43	-1.0	-61.06	348.82	0.38	-60.68
CSCC[C@H](NC(=O)NC1=CN(C2CCC(=O)NC2)N=C1)C1=NN=N[N-]1	REAL300020240699	0	46	-1.0	-54.00	392.50	0.37	-53.63
CSCC[C@H](NC(=O)NC1=CN(C2CCC(=O)NC2)N=C1)C1=N[N-]N=N1	REAL300020240699	1	46	-1.0	-53.96	392.44	0.35	-53.61
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240700	0	43	-1.0	-51.34	350.34	0.44	-50.90
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240700	1	43	-1.0	-51.35	350.26	0.43	-50.92
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240701	0	49	-1.0	-56.49	372.33	2.20	-54.29
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240701	1	49	-1.0	-56.47	372.29	2.19	-54.28
COC(=O)C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C12	REAL300020240702	0	46	-1.0	-49.37	373.21	6.93	-42.44
COC(=O)C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C12	REAL300020240702	1	46	-1.0	-49.31	373.15	6.92	-42.39
COC(=O)C1=CN=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020240703	0	43	-1.0	-60.30	357.76	6.01	-54.29
COC(=O)C1=CN=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020240703	1	43	-1.0	-60.30	357.70	6.01	-54.29
COC(=O)C1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020240704	0	43	-1.0	-49.91	359.24	6.08	-43.83
COC(=O)C1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020240704	1	43	-1.0	-49.92	359.17	6.06	-43.86
COC(=O)C1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020240705	0	49	-1.0	-56.38	381.46	7.78	-48.60
COC(=O)C1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020240705	1	49	-1.0	-56.33	381.41	7.78	-48.55
CCC1=NC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240706	0	40	-1.0	-53.74	344.02	4.65	-49.09
CCC1=NC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240706	1	40	-1.0	-53.74	343.97	4.63	-49.11
CCC1=NC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240707	0	40	-1.0	-42.67	323.26	4.09	-38.58
CCC1=NC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240707	1	40	-1.0	-42.67	323.31	4.11	-38.56
CCC1=NC=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240708	0	37	-1.0	-53.63	309.70	3.29	-50.34
CCC1=NC=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240708	1	37	-1.0	-53.68	309.75	3.30	-50.38
CCC1=NC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020240709	0	40	-1.0	-45.03	353.25	3.25	-41.78
CCC1=NC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020240709	1	40	-1.0	-45.00	353.31	3.26	-41.74
CCC1=NC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240710	0	37	-1.0	-43.12	310.41	3.29	-39.83
CCC1=NC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240710	1	37	-1.0	-43.16	310.49	3.30	-39.86
CCC1=NC=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240711	0	43	-1.0	-49.06	332.35	4.98	-44.08
CCC1=NC=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240711	1	43	-1.0	-49.01	332.41	4.99	-44.02
O=C(NC1=CC=C2NC(=O)C3(CCCCC3)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240712	0	53	-1.0	-44.84	400.38	5.58	-39.26
O=C(NC1=CC=C2NC(=O)C3(CCCCC3)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240712	1	53	-1.0	-44.81	400.43	5.60	-39.21
O=C(NC1=CC=C2NC(=O)C3(CCCCC3)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240713	0	50	-1.0	-54.06	385.09	4.67	-49.39
O=C(NC1=CC=C2NC(=O)C3(CCCCC3)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240713	1	50	-1.0	-54.06	385.15	4.68	-49.38
O=C(NC1=CC=C2NC(=O)C3(CCCCC3)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240714	0	50	-1.0	-45.94	386.22	4.74	-41.20
O=C(NC1=CC=C2NC(=O)C3(CCCCC3)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240714	1	50	-1.0	-45.94	386.29	4.76	-41.18
CCOC(=O)C1CCC2=C1N=C(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)S2	REAL300020240715	0	47	-1.0	-44.57	389.88	6.00	-38.57
CCOC(=O)C1CCC2=C1N=C(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)S2	REAL300020240715	1	47	-1.0	-44.57	389.94	6.01	-38.56
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C3=N[N-]N=N3)CC1)S2	REAL300020240715	1	46	-2.0	-92.29	388.83	5.14	-87.15
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C3=NN=N[N-]3)CC1)S2	REAL300020240715	1	46	-2.0	-92.29	388.89	5.16	-87.13
CCOC(=O)C1CCC2=C1N=C(NC(=O)N1CCCC1C1=N[N-]N=N1)S2	REAL300020240716	0	44	-1.0	-52.21	374.54	5.09	-47.12
CCOC(=O)C1CCC2=C1N=C(NC(=O)N1CCCC1C1=NN=N[N-]1)S2	REAL300020240716	1	44	-1.0	-52.18	374.60	5.09	-47.09
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC1C1=N[N-]N=N1)S2	REAL300020240716	1	43	-2.0	-113.60	373.13	4.04	-109.56
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC1C1=NN=N[N-]1)S2	REAL300020240716	1	43	-2.0	-113.60	373.19	4.06	-109.54
CCOC(=O)C1CCC2=C1N=C(NC(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020240717	0	44	-1.0	-44.30	376.00	5.14	-39.16
CCOC(=O)C1CCC2=C1N=C(NC(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020240717	1	44	-1.0	-44.28	376.08	5.16	-39.12
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020240717	1	43	-2.0	-93.97	373.88	4.09	-89.88
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020240717	1	43	-2.0	-93.96	373.95	4.09	-89.87
CCOC1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240718	0	42	-1.0	-42.24	360.09	1.43	-40.81
CCOC1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240718	1	42	-1.0	-42.29	360.04	1.40	-40.89
CCOC1=NN(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240719	0	42	-1.0	-43.79	340.90	0.96	-42.83
CCOC1=NN(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240719	1	42	-1.0	-43.76	340.84	0.94	-42.82
CCOC1=NN(C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240720	0	39	-1.0	-51.04	325.46	0.05	-50.99
CCOC1=NN(C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240720	1	39	-1.0	-50.98	325.40	0.03	-50.95
CCOC1=NN(C)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020240721	0	42	-1.0	-45.47	369.08	0.01	-45.46
CCOC1=NN(C)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020240721	1	42	-1.0	-45.46	369.02	0.00	-45.46
CCOC1=NN(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240722	0	39	-1.0	-42.57	326.95	0.10	-42.47
CCOC1=NN(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240722	1	39	-1.0	-42.61	326.88	0.08	-42.53
CCOC1=NN(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240723	0	45	-1.0	-47.69	349.47	1.95	-45.74
CCOC1=NN(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240723	1	45	-1.0	-47.70	349.41	1.94	-45.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2C=CNC(=O)C2=C1	REAL300020240724	0	41	-1.0	-55.69	354.34	4.05	-51.64
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2C=CNC(=O)C2=C1	REAL300020240724	1	41	-1.0	-55.68	354.28	4.02	-51.66
O=C(NC1=CC=C2C=CNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240725	0	41	-1.0	-48.96	335.17	3.54	-45.42
O=C(NC1=CC=C2C=CNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240725	1	41	-1.0	-48.93	335.22	3.56	-45.37
O=C(NC1=CC=C2C=CNC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240726	0	38	-1.0	-69.60	319.96	2.61	-66.99
O=C(NC1=CC=C2C=CNC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240726	1	38	-1.0	-69.57	320.02	2.62	-66.95
CSCC[C@H](NC(=O)NC1=CC=C2C=CNC(=O)C2=C1)C1=N[N-]N=N1	REAL300020240727	0	41	-1.0	-61.17	363.17	2.62	-58.55
CSCC[C@H](NC(=O)NC1=CC=C2C=CNC(=O)C2=C1)C1=NN=N[N-]1	REAL300020240727	1	41	-1.0	-61.12	363.22	2.63	-58.49
O=C(NC1=CC=C2C=CNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240728	0	38	-1.0	-48.98	321.26	2.67	-46.31
O=C(NC1=CC=C2C=CNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240728	1	38	-1.0	-48.96	321.33	2.68	-46.28
O=C(NC1=CC=C2C=CNC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240729	0	44	-1.0	-53.80	347.55	3.68	-50.12
O=C(NC1=CC=C2C=CNC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240729	1	44	-1.0	-51.73	347.62	3.69	-48.04
CC1=CC2=CC=CN=C2C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020240730	0	43	-1.0	-47.27	364.75	6.04	-41.23
CC1=CC2=CC=CN=C2C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020240730	1	43	-1.0	-47.29	364.69	6.01	-41.28
CC1=CC2=CC=CN=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020240731	0	43	-1.0	-46.15	344.38	5.56	-40.59
CC1=CC2=CC=CN=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020240731	1	43	-1.0	-46.13	344.32	5.55	-40.58
CC1=CC2=CC=CN=C2C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020240732	0	40	-1.0	-57.41	329.66	4.64	-52.77
CC1=CC2=CC=CN=C2C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020240732	1	40	-1.0	-57.44	329.60	4.61	-52.83
CSCC[C@H](NC(=O)NC1=CC(C)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020240733	0	43	-1.0	-50.86	373.99	4.58	-46.28
CSCC[C@H](NC(=O)NC1=CC(C)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020240733	1	43	-1.0	-50.88	373.93	4.56	-46.32
CC1=CC2=CC=CN=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020240734	0	40	-1.0	-46.73	331.84	4.65	-42.08
CC1=CC2=CC=CN=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020240734	1	40	-1.0	-46.72	331.77	4.64	-42.08
CC1=CC2=CC=CN=C2C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020240735	0	46	-1.0	-53.74	353.47	6.52	-47.22
CC1=CC2=CC=CN=C2C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020240735	1	46	-1.0	-53.75	353.42	6.52	-47.23
CC1=CN=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240736	0	37	-1.0	-50.61	333.71	4.36	-46.25
CC1=CN=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240736	1	37	-1.0	-50.62	333.65	4.34	-46.28
CC1=CN=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240737	0	37	-1.0	-44.56	312.34	3.76	-40.80
CC1=CN=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240737	1	37	-1.0	-44.56	312.28	3.75	-40.81
CC1=CN=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240738	0	34	-1.0	-53.82	298.42	2.90	-50.92
CC1=CN=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240738	1	34	-1.0	-53.87	298.36	2.88	-50.99
CSCC[C@H](NC(=O)NC1=CC(Cl)=NC=C1C)C1=NN=N[N-]1	REAL300020240739	0	37	-1.0	-49.07	341.94	2.85	-46.22
CSCC[C@H](NC(=O)NC1=CC(Cl)=NC=C1C)C1=N[N-]N=N1	REAL300020240739	1	37	-1.0	-49.09	341.88	2.84	-46.25
CC1=CN=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240740	0	34	-1.0	-45.44	299.80	2.97	-42.47
CC1=CN=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240740	1	34	-1.0	-45.44	299.72	2.95	-42.49
CC1=CN=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240741	0	40	-1.0	-50.42	321.00	4.64	-45.78
CC1=CN=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240741	1	40	-1.0	-50.38	320.95	4.64	-45.74
CSC1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020240742	0	38	-1.0	-45.33	339.64	5.52	-39.81
CSC1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020240742	1	38	-1.0	-45.35	339.58	5.49	-39.86
CSC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020240743	0	38	-1.0	-45.06	317.87	4.38	-40.68
CSC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020240743	1	38	-1.0	-45.09	317.81	4.37	-40.72
CSC1=CC=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020240744	0	35	-1.0	-58.04	305.35	4.09	-53.95
CSC1=CC=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020240744	1	35	-1.0	-58.05	305.29	4.07	-53.98
CSCC[C@H](NC(=O)NC1=CC(SC)=CC=N1)C1=NN=N[N-]1	REAL300020240745	0	38	-1.0	-50.86	348.87	4.06	-46.80
CSCC[C@H](NC(=O)NC1=CC(SC)=CC=N1)C1=N[N-]N=N1	REAL300020240745	1	38	-1.0	-50.84	348.81	4.04	-46.80
CSC1=CC=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020240746	0	35	-1.0	-47.75	306.72	4.15	-43.60
CSC1=CC=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020240746	1	35	-1.0	-47.80	306.65	4.14	-43.66
CSC1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020240747	0	41	-1.0	-53.09	329.28	5.85	-47.24
CSC1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020240747	1	41	-1.0	-53.11	329.23	5.83	-47.28
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)C=C1Cl	REAL300020240748	0	41	-1.0	-52.72	357.06	6.76	-45.96
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)C=C1Cl	REAL300020240748	1	41	-1.0	-52.70	357.00	6.74	-45.96
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)C=C1Cl	REAL300020240749	0	41	-1.0	-42.42	336.59	6.23	-36.19
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)C=C1Cl	REAL300020240749	1	41	-1.0	-42.42	336.65	6.25	-36.17
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(C)C=C1Cl	REAL300020240750	0	38	-1.0	-53.51	322.69	5.38	-48.13
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(C)C=C1Cl	REAL300020240750	1	38	-1.0	-53.58	322.75	5.40	-48.18
CSCC[C@H](NC(=O)NC1=CC(C)=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020240751	0	41	-1.0	-46.47	365.27	5.28	-41.19
CSCC[C@H](NC(=O)NC1=CC(C)=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020240751	1	41	-1.0	-46.44	365.32	5.30	-41.14
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)C=C1Cl	REAL300020240752	0	38	-1.0	-42.79	323.11	5.38	-37.41
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)C=C1Cl	REAL300020240752	1	38	-1.0	-42.77	323.18	5.39	-37.38
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)C=C1Cl	REAL300020240753	0	44	-1.0	-39.16	351.43	6.35	-32.81
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)C=C1Cl	REAL300020240753	1	44	-1.0	-39.16	351.49	6.36	-32.80
CSC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020240754	0	33	-2.0	-90.90	326.71	2.13	-88.77
CSC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020240754	1	33	-2.0	-90.91	326.65	2.11	-88.80
CSC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020240755	0	33	-2.0	-93.22	309.75	2.01	-91.21
CSC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020240755	1	33	-2.0	-93.25	309.69	2.00	-91.25
CSC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020240756	0	30	-2.0	-116.16	293.87	0.87	-115.29
CSC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020240756	1	30	-2.0	-116.13	293.93	0.90	-115.23
CSCC[C@H](NC(=O)[N-]C1=NN=C(SC)S1)C1=N[N-]N=N1	REAL300020240757	0	33	-2.0	-105.80	335.64	0.69	-105.11
CSCC[C@H](NC(=O)[N-]C1=NN=C(SC)S1)C1=NN=N[N-]1	REAL300020240757	1	33	-2.0	-105.76	335.70	0.71	-105.05
CSC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020240758	0	30	-2.0	-94.69	294.69	0.95	-93.74
CSC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020240758	1	30	-2.0	-94.71	294.61	0.93	-93.78
CSC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020240759	0	36	-2.0	-113.53	318.24	2.87	-110.66
CSC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020240759	1	36	-2.0	-113.54	318.19	2.86	-110.68
O=C([N-]C1=NN=C(CC2CC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240760	0	39	-2.0	-92.60	356.39	4.04	-88.56
O=C([N-]C1=NN=C(CC2CC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240760	1	39	-2.0	-92.60	356.33	4.02	-88.58
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240761	0	39	-2.0	-94.90	339.37	3.89	-91.01
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240761	1	39	-2.0	-94.87	339.43	3.91	-90.96
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020240762	0	36	-2.0	-118.79	323.55	2.78	-116.01
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020240762	1	36	-2.0	-118.79	323.61	2.81	-115.98
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC2CC2)S1)C1=N[N-]N=N1	REAL300020240763	0	39	-2.0	-108.24	365.32	2.60	-105.64
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC2CC2)S1)C1=NN=N[N-]1	REAL300020240763	1	39	-2.0	-108.22	365.37	2.62	-105.60
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240764	0	36	-2.0	-96.62	324.29	2.83	-93.79
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240764	1	36	-2.0	-96.60	324.37	2.85	-93.75
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240765	0	42	-2.0	-116.25	347.87	4.76	-111.49
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240765	1	42	-2.0	-116.26	347.92	4.78	-111.48
O=C(NC1=CC=CC=C1OCC1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240766	0	55	-1.0	-44.35	417.82	8.04	-36.31
O=C(NC1=CC=CC=C1OCC1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240766	1	55	-1.0	-44.34	417.87	8.06	-36.28
O=C(NC1=CC=CC=C1OCC1CCCCC1)N1CCCC1C1=N[N-]N=N1	REAL300020240767	0	52	-1.0	-53.84	402.24	7.12	-46.72
O=C(NC1=CC=CC=C1OCC1CCCCC1)N1CCCC1C1=NN=N[N-]1	REAL300020240767	1	52	-1.0	-53.91	402.30	7.15	-46.76
O=C(NC1=CC=CC=C1OCC1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240768	0	52	-1.0	-43.29	402.93	7.18	-36.11
O=C(NC1=CC=CC=C1OCC1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240768	1	52	-1.0	-43.28	403.01	7.19	-36.09
O=C(NC1=CC=CC=C1OCC1CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240769	0	58	-1.0	-50.40	425.41	9.02	-41.38
O=C(NC1=CC=CC=C1OCC1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240769	1	58	-1.0	-50.43	425.46	9.02	-41.41
CC(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020240770	0	44	-1.0	-42.23	368.94	6.86	-35.37
CC(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020240770	1	44	-1.0	-42.22	368.88	6.84	-35.38
CC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020240771	0	44	-1.0	-41.67	349.21	6.34	-35.33
CC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020240771	1	44	-1.0	-41.71	349.27	6.35	-35.36
CC(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020240772	0	41	-1.0	-50.76	333.78	5.41	-45.35
CC(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020240772	1	41	-1.0	-50.76	333.84	5.43	-45.33
CSCC[C@H](NC(=O)NC1=CC=C(C(C)C)C=C1F)C1=N[N-]N=N1	REAL300020240773	0	44	-1.0	-44.53	377.30	5.37	-39.16
CSCC[C@H](NC(=O)NC1=CC=C(C(C)C)C=C1F)C1=NN=N[N-]1	REAL300020240773	1	44	-1.0	-44.57	377.36	5.38	-39.19
CC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020240774	0	41	-1.0	-41.52	335.96	5.46	-36.06
CC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020240774	1	41	-1.0	-41.50	336.03	5.47	-36.03
CC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020240775	0	47	-1.0	-47.62	357.59	7.31	-40.31
CC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020240775	1	47	-1.0	-47.59	357.64	7.32	-40.27
CCC1=CC=NC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240776	0	40	-1.0	-46.75	336.95	4.67	-42.08
CCC1=CC=NC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240776	1	40	-1.0	-46.73	336.89	4.64	-42.09
CCC1=CC=NC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240777	0	40	-1.0	-44.71	317.25	4.05	-40.66
CCC1=CC=NC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240777	1	40	-1.0	-44.71	317.31	4.07	-40.64
CCC1=CC=NC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020240778	0	40	-1.0	-48.00	345.42	3.14	-44.86
CCC1=CC=NC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020240778	1	40	-1.0	-47.98	345.48	3.15	-44.83
CCC1=CC=NC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240779	0	43	-1.0	-52.86	325.71	5.07	-47.79
CCC1=CC=NC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240779	1	43	-1.0	-52.90	325.76	5.08	-47.82
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2CCSCC2)=N1	REAL300020240780	0	47	-1.0	-61.59	394.15	6.82	-54.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2CCSCC2)=N1	REAL300020240780	1	47	-1.0	-61.61	394.09	6.80	-54.81
O=C(NC1=CC=CC(N2CCSCC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240781	0	47	-1.0	-42.88	372.67	5.74	-37.14
O=C(NC1=CC=CC(N2CCSCC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240781	1	47	-1.0	-42.87	372.61	5.72	-37.15
O=C(NC1=CC=CC(N2CCSCC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020240782	0	44	-1.0	-61.84	359.16	5.43	-56.41
O=C(NC1=CC=CC(N2CCSCC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020240782	1	44	-1.0	-61.80	359.10	5.41	-56.39
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCSCC2)=N1)C1=NN=N[N-]1	REAL300020240783	0	47	-1.0	-53.82	402.67	5.40	-48.42
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCSCC2)=N1)C1=N[N-]N=N1	REAL300020240783	1	47	-1.0	-53.86	402.61	5.39	-48.47
O=C(NC1=CC=CC(N2CCSCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240784	0	44	-1.0	-50.22	361.01	5.49	-44.73
O=C(NC1=CC=CC(N2CCSCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240784	1	44	-1.0	-50.17	360.94	5.48	-44.69
O=C(NC1=CC=CC(N2CCSCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240785	0	50	-1.0	-45.93	378.51	6.68	-39.25
O=C(NC1=CC=CC(N2CCSCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240785	1	50	-1.0	-45.96	378.48	6.66	-39.30
O=C(NC1=NOC(C2=CC=C(Cl)C=C2)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240786	0	41	-1.0	-40.04	374.13	7.45	-32.59
O=C(NC1=NOC(C2=CC=C(Cl)C=C2)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240786	1	41	-1.0	-40.06	374.07	7.43	-32.63
O=C(NC1=NOC(C2=CC=C(Cl)C=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240787	0	41	-1.0	-41.72	354.93	6.98	-34.74
O=C(NC1=NOC(C2=CC=C(Cl)C=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240787	1	41	-1.0	-41.72	354.88	6.96	-34.76
O=C(NC1=NOC(C2=CC=C(Cl)C=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240788	0	38	-1.0	-48.81	339.49	6.06	-42.75
O=C(NC1=NOC(C2=CC=C(Cl)C=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240788	1	38	-1.0	-48.80	339.43	6.04	-42.76
CSCC[C@H](NC(=O)NC1=NOC(C2=CC=C(Cl)C=C2)=C1)C1=NN=N[N-]1	REAL300020240789	0	41	-1.0	-42.93	383.11	6.03	-36.90
CSCC[C@H](NC(=O)NC1=NOC(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]N=N1	REAL300020240789	1	41	-1.0	-42.97	383.05	6.01	-36.96
O=C(NC1=NOC(C2=CC=C(Cl)C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240790	0	38	-1.0	-40.30	340.98	6.10	-34.20
O=C(NC1=NOC(C2=CC=C(Cl)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240790	1	38	-1.0	-40.28	340.91	6.09	-34.19
O=C(NC1=NOC(C2=CC=C(Cl)C=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240791	0	44	-1.0	-45.12	363.05	7.86	-37.26
O=C(NC1=NOC(C2=CC=C(Cl)C=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240791	1	44	-1.0	-45.08	363.00	7.84	-37.24
COC(=O)C1(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CCCC1	REAL300020240792	0	54	-1.0	-48.54	415.50	7.88	-40.66
COC(=O)C1(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CCCC1	REAL300020240792	1	54	-1.0	-48.56	415.56	7.89	-40.67
COC(=O)C1(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CCCC1	REAL300020240793	0	51	-1.0	-52.99	399.93	6.97	-46.02
COC(=O)C1(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CCCC1	REAL300020240793	1	51	-1.0	-53.02	399.99	6.99	-46.03
COC(=O)C1(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CCCC1	REAL300020240794	0	51	-1.0	-44.59	401.30	7.02	-37.57
COC(=O)C1(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CCCC1	REAL300020240794	1	51	-1.0	-44.61	401.37	7.03	-37.58
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C(Cl)N=CC(F)=C12	REAL300020240795	0	40	-1.0	-40.38	359.15	5.93	-34.45
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C(Cl)N=CC(F)=C12	REAL300020240795	1	40	-1.0	-40.36	359.09	5.91	-34.45
O=C(NC1=CC=CC2=C(Cl)N=CC(F)=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240796	0	40	-1.0	-41.23	340.88	5.52	-35.71
O=C(NC1=CC=CC2=C(Cl)N=CC(F)=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240796	1	40	-1.0	-41.26	340.82	5.51	-35.75
O=C(NC1=CC=CC2=C(Cl)N=CC(F)=C12)N1CCCC1C1=NN=N[N-]1	REAL300020240797	0	37	-1.0	-49.96	324.60	4.56	-45.40
O=C(NC1=CC=CC2=C(Cl)N=CC(F)=C12)N1CCCC1C1=N[N-]N=N1	REAL300020240797	1	37	-1.0	-49.91	324.54	4.55	-45.36
CSCC[C@H](NC(=O)NC1=CC=CC2=C(Cl)N=CC(F)=C12)C1=NN=N[N-]1	REAL300020240798	0	40	-1.0	-43.58	368.13	4.52	-39.06
CSCC[C@H](NC(=O)NC1=CC=CC2=C(Cl)N=CC(F)=C12)C1=N[N-]N=N1	REAL300020240798	1	40	-1.0	-43.56	368.07	4.51	-39.05
O=C(NC1=CC=CC2=C(Cl)N=CC(F)=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020240799	0	37	-1.0	-41.33	326.96	4.66	-36.67
O=C(NC1=CC=CC2=C(Cl)N=CC(F)=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020240799	1	37	-1.0	-41.32	326.89	4.65	-36.67
O=C(NC1=CC=CC2=C(Cl)N=CC(F)=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020240800	0	43	-1.0	-41.34	349.69	5.63	-35.71
O=C(NC1=CC=CC2=C(Cl)N=CC(F)=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020240800	1	43	-1.0	-41.31	349.70	5.62	-35.69
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=CC=CC=C2N=C1Cl	REAL300020240801	0	40	-1.0	-50.62	358.09	5.71	-44.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=CC=CC=C2N=C1Cl	REAL300020240801	1	40	-1.0	-50.62	358.04	5.69	-44.93
O=C(NC1=CC2=CC=CC=C2N=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240802	0	40	-1.0	-42.75	338.45	5.23	-37.52
O=C(NC1=CC2=CC=CC=C2N=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240802	1	40	-1.0	-42.71	338.39	5.21	-37.50
O=C(NC1=CC2=CC=CC=C2N=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020240803	0	37	-1.0	-51.67	323.92	4.32	-47.35
O=C(NC1=CC2=CC=CC=C2N=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020240803	1	37	-1.0	-51.68	323.86	4.30	-47.38
CSCC[C@H](NC(=O)NC1=CC2=CC=CC=C2N=C1Cl)C1=NN=N[N-]1	REAL300020240804	0	40	-1.0	-45.28	368.35	4.32	-40.96
CSCC[C@H](NC(=O)NC1=CC2=CC=CC=C2N=C1Cl)C1=N[N-]N=N1	REAL300020240804	1	40	-1.0	-45.22	368.29	4.30	-40.92
O=C(NC1=CC2=CC=CC=C2N=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020240805	0	37	-1.0	-42.98	326.17	4.39	-38.59
O=C(NC1=CC2=CC=CC=C2N=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020240805	1	37	-1.0	-42.97	326.09	4.38	-38.59
O=C(NC1=CC2=CC=CC=C2N=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020240806	0	43	-1.0	-48.92	347.95	6.11	-42.81
O=C(NC1=CC2=CC=CC=C2N=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020240806	1	43	-1.0	-48.95	347.89	6.10	-42.85
O=C(NC1=NC=C(CC2=CC=C(Cl)C=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020240807	0	41	-1.0	-60.18	375.02	7.12	-53.06
O=C(NC1=NC=C(CC2=CC=C(Cl)C=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020240807	1	41	-1.0	-60.17	374.97	7.10	-53.07
O=C(NC1=NC=C(CC2=CC=C(Cl)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240808	0	41	-1.0	-49.14	376.50	7.17	-41.97
O=C(NC1=NC=C(CC2=CC=C(Cl)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240808	1	41	-1.0	-49.15	376.43	7.16	-41.99
N#CC1=CC=CC(CC2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)=C1	REAL300020240809	0	45	-1.0	-52.76	394.58	7.88	-44.88
N#CC1=CC=CC(CC2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)=C1	REAL300020240809	1	45	-1.0	-52.74	394.52	7.87	-44.87
N#CC1=CC=CC(CC2=CN=C(NC(=O)N3CCCC3C3=NN=N[N-]3)S2)=C1	REAL300020240810	0	42	-1.0	-65.04	379.15	6.98	-58.06
N#CC1=CC=CC(CC2=CN=C(NC(=O)N3CCCC3C3=N[N-]N=N3)S2)=C1	REAL300020240810	1	42	-1.0	-65.02	379.09	6.96	-58.06
N#CC1=CC=CC(CC2=CN=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)S2)=C1	REAL300020240811	0	42	-1.0	-53.67	380.63	7.04	-46.63
N#CC1=CC=CC(CC2=CN=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)S2)=C1	REAL300020240811	1	42	-1.0	-53.62	380.56	7.02	-46.60
CCCOC1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240812	0	45	-1.0	-39.97	384.22	6.15	-33.82
CCCOC1=C(F)C=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240812	1	45	-1.0	-39.94	384.17	6.13	-33.81
CCCOC1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240813	0	45	-1.0	-41.66	366.56	5.62	-36.04
CCCOC1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240813	1	45	-1.0	-41.68	366.62	5.64	-36.04
CCCOC1=C(F)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240814	0	42	-1.0	-49.85	350.80	4.74	-45.11
CCCOC1=C(F)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240814	1	42	-1.0	-49.86	350.86	4.76	-45.10
CCCOC1=C(F)C=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020240815	0	45	-1.0	-43.90	394.36	4.71	-39.19
CCCOC1=C(F)C=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020240815	1	45	-1.0	-43.90	394.42	4.72	-39.18
CCCOC1=C(F)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240816	0	42	-1.0	-41.01	352.18	4.78	-36.23
CCCOC1=C(F)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240816	1	42	-1.0	-40.99	352.26	4.79	-36.20
CCCOC1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240817	0	48	-1.0	-46.08	374.00	6.52	-39.56
CCCOC1=C(F)C=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240817	1	48	-1.0	-46.13	374.06	6.52	-39.61
CCCOC1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240818	0	45	-1.0	-42.97	380.97	5.99	-36.98
CCCOC1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240818	1	45	-1.0	-42.97	380.91	5.96	-37.01
CCCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240819	0	45	-1.0	-44.75	362.79	5.47	-39.28
CCCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240819	1	45	-1.0	-44.76	362.85	5.49	-39.27
CCCOC1=CC=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240820	0	42	-1.0	-54.84	346.25	4.59	-50.25
CCCOC1=CC=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240820	1	42	-1.0	-54.88	346.31	4.60	-50.28
CCCOC1=CC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020240821	0	45	-1.0	-49.38	389.78	4.54	-44.84
CCCOC1=CC=C(F)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020240821	1	45	-1.0	-49.40	389.84	4.55	-44.85
CCCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240822	0	42	-1.0	-44.77	348.43	4.63	-40.14
CCCOC1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240822	1	42	-1.0	-44.76	348.50	4.65	-40.11
CCCOC1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240823	0	48	-1.0	-50.84	370.25	6.36	-44.48
CCCOC1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240823	1	48	-1.0	-50.88	370.31	6.37	-44.51
CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(=O)N2CCC2)=N1	REAL300020240824	0	46	-1.0	-47.29	389.33	3.51	-43.78
CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(=O)N2CCC2)=N1	REAL300020240824	1	46	-1.0	-47.33	389.27	3.49	-43.84
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(=O)N2CCC2)=N1	REAL300020240825	0	46	-1.0	-48.78	370.14	3.02	-45.76
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(=O)N2CCC2)=N1	REAL300020240825	1	46	-1.0	-48.78	370.08	3.01	-45.77
CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(=O)N2CCC2)=N1	REAL300020240826	0	43	-1.0	-55.73	354.70	2.14	-53.59
CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(=O)N2CCC2)=N1	REAL300020240826	1	43	-1.0	-55.73	354.64	2.12	-53.61
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C(=O)N1CCC1)C1=NN=N[N-]1	REAL300020240827	0	46	-1.0	-50.53	398.31	2.09	-48.44
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C(=O)N1CCC1)C1=N[N-]N=N1	REAL300020240827	1	46	-1.0	-50.51	398.26	2.07	-48.44
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(=O)N2CCC2)=N1	REAL300020240828	0	43	-1.0	-46.78	356.19	2.17	-44.61
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(=O)N2CCC2)=N1	REAL300020240828	1	43	-1.0	-46.77	356.11	2.15	-44.62
CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(=O)N2CCC2)=N1	REAL300020240829	0	49	-1.0	-52.37	378.70	4.01	-48.36
CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(=O)N2CCC2)=N1	REAL300020240829	1	49	-1.0	-52.35	378.64	4.02	-48.33
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240830	0	39	-2.0	-86.08	359.44	5.59	-80.49
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240830	1	39	-2.0	-86.06	359.38	5.57	-80.49
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020240831	0	36	-2.0	-106.04	343.59	4.46	-101.58
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020240831	1	36	-2.0	-106.00	343.65	4.48	-101.52
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240832	0	36	-2.0	-85.97	344.41	4.52	-81.45
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240832	1	36	-2.0	-85.95	344.33	4.51	-81.44
O=C(NC1=CC=CC(C2CCC(F)(F)CC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240833	0	51	-1.0	-44.87	395.91	8.26	-36.61
O=C(NC1=CC=CC(C2CCC(F)(F)CC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240833	1	51	-1.0	-44.89	395.97	8.27	-36.62
O=C(NC1=CC=CC(C2CCC(F)(F)CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240834	0	48	-1.0	-54.81	381.45	7.32	-47.49
O=C(NC1=CC=CC(C2CCC(F)(F)CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240834	1	48	-1.0	-54.80	381.51	7.34	-47.46
O=C(NC1=CC=CC(C2CCC(F)(F)CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240835	0	48	-1.0	-45.64	383.09	7.34	-38.30
O=C(NC1=CC=CC(C2CCC(F)(F)CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240835	1	48	-1.0	-45.63	383.16	7.35	-38.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=CC=CC=C2C=C1Cl	REAL300020240836	0	41	-1.0	-53.24	363.01	7.65	-45.59
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=CC=CC=C2C=C1Cl	REAL300020240836	1	41	-1.0	-53.22	362.96	7.62	-45.60
O=C(NC1=CC2=CC=CC=C2C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240837	0	41	-1.0	-43.52	345.12	7.17	-36.35
O=C(NC1=CC2=CC=CC=C2C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240837	1	41	-1.0	-43.55	345.17	7.19	-36.36
O=C(NC1=CC2=CC=CC=C2C=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020240838	0	38	-1.0	-53.38	328.51	6.25	-47.13
O=C(NC1=CC2=CC=CC=C2C=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020240838	1	38	-1.0	-53.37	328.56	6.26	-47.11
CSCC[C@H](NC(=O)NC1=CC2=CC=CC=C2C=C1Cl)C1=N[N-]N=N1	REAL300020240839	0	41	-1.0	-47.90	372.04	6.21	-41.69
CSCC[C@H](NC(=O)NC1=CC2=CC=CC=C2C=C1Cl)C1=NN=N[N-]1	REAL300020240839	1	41	-1.0	-47.84	372.09	6.22	-41.62
O=C(NC1=CC2=CC=CC=C2C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020240840	0	38	-1.0	-43.36	330.75	6.34	-37.02
O=C(NC1=CC2=CC=CC=C2C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020240840	1	38	-1.0	-43.43	330.82	6.36	-37.07
O=C(NC1=CC2=CC=CC=C2C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020240841	0	44	-1.0	-49.46	352.21	8.08	-41.38
O=C(NC1=CC2=CC=CC=C2C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020240841	1	44	-1.0	-49.45	352.26	8.08	-41.37
O=C(N[C@@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240842	0	41	-1.0	-52.39	359.54	5.57	-46.82
O=C(N[C@@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240842	1	41	-1.0	-52.42	359.60	5.60	-46.82
O=C(N[C@@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240843	0	41	-1.0	-41.24	363.15	5.63	-35.61
O=C(N[C@@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240843	1	41	-1.0	-41.27	363.22	5.65	-35.62
O=C(N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240844	0	41	-1.0	-54.60	359.54	5.55	-49.05
O=C(N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240844	1	41	-1.0	-54.59	359.60	5.58	-49.01
O=C(N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240845	0	41	-1.0	-42.42	363.14	5.63	-36.79
O=C(N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240845	1	41	-1.0	-42.43	363.22	5.65	-36.78
O=C(NC(C1=CC=CC=C1C(F)(F)F)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240846	0	41	-1.0	-56.07	350.35	5.22	-50.85
O=C(NC(C1=CC=CC=C1C(F)(F)F)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240846	1	41	-1.0	-56.06	350.41	5.24	-50.82
O=C(NC(C1=CC=CC=C1C(F)(F)F)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240847	0	41	-1.0	-43.78	350.85	5.74	-38.04
O=C(NC(C1=CC=CC=C1C(F)(F)F)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240847	1	41	-1.0	-43.77	350.93	5.75	-38.02
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(Cl)N=CC(F)=C2C=C1	REAL300020240848	0	40	-1.0	-43.68	364.67	5.67	-38.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(Cl)N=CC(F)=C2C=C1	REAL300020240848	1	40	-1.0	-43.65	364.61	5.64	-38.01
O=C(NC1=CC2=C(Cl)N=CC(F)=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240849	0	40	-1.0	-41.85	345.55	5.19	-36.66
O=C(NC1=CC2=C(Cl)N=CC(F)=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240849	1	40	-1.0	-41.86	345.49	5.17	-36.69
O=C(NC1=CC2=C(Cl)N=CC(F)=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240850	0	37	-1.0	-49.72	330.29	4.26	-45.46
O=C(NC1=CC2=C(Cl)N=CC(F)=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240850	1	37	-1.0	-49.76	330.23	4.25	-45.51
CSCC[C@H](NC(=O)NC1=CC2=C(Cl)N=CC(F)=C2C=C1)C1=NN=N[N-]1	REAL300020240851	0	40	-1.0	-50.49	373.83	4.22	-46.27
CSCC[C@H](NC(=O)NC1=CC2=C(Cl)N=CC(F)=C2C=C1)C1=N[N-]N=N1	REAL300020240851	1	40	-1.0	-50.48	373.77	4.21	-46.27
O=C(NC1=CC2=C(Cl)N=CC(F)=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240852	0	37	-1.0	-46.24	331.68	4.31	-41.93
O=C(NC1=CC2=C(Cl)N=CC(F)=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240852	1	37	-1.0	-46.14	331.61	4.29	-41.85
O=C(NC1=CC2=C(Cl)N=CC(F)=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240853	0	43	-1.0	-38.68	359.57	5.41	-33.27
O=C(NC1=CC2=C(Cl)N=CC(F)=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240853	1	43	-1.0	-38.73	359.53	5.39	-33.34
O=C(NC1=CC=NN1C1CC1(F)F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240854	0	39	-1.0	-44.72	346.38	5.42	-39.30
O=C(NC1=CC=NN1C1CC1(F)F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240854	1	39	-1.0	-44.69	346.32	5.40	-39.29
O=C(NC1=CC=NN1C1CC1(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240855	0	39	-1.0	-46.55	327.17	4.95	-41.60
O=C(NC1=CC=NN1C1CC1(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240855	1	39	-1.0	-46.55	327.11	4.94	-41.61
O=C(NC1=CC=NN1C1CC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240856	0	36	-1.0	-54.63	311.74	4.04	-50.59
O=C(NC1=CC=NN1C1CC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240856	1	36	-1.0	-54.55	311.68	4.03	-50.52
CSCC[C@H](NC(=O)NC1=CC=NN1C1CC1(F)F)C1=NN=N[N-]1	REAL300020240857	0	39	-1.0	-48.84	355.34	4.00	-44.84
CSCC[C@H](NC(=O)NC1=CC=NN1C1CC1(F)F)C1=N[N-]N=N1	REAL300020240857	1	39	-1.0	-48.86	355.28	3.98	-44.88
O=C(NC1=CC=NN1C1CC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240858	0	36	-1.0	-46.19	313.22	4.09	-42.10
O=C(NC1=CC=NN1C1CC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240858	1	36	-1.0	-46.22	313.15	4.08	-42.14
O=C(NC1=CC=NN1C1CC1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240859	0	42	-1.0	-52.81	335.73	5.93	-46.88
O=C(NC1=CC=NN1C1CC1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240859	1	42	-1.0	-52.76	335.68	5.93	-46.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CC(Cl)=C1F	REAL300020240860	0	35	-1.0	-38.71	330.37	5.46	-33.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CC(Cl)=C1F	REAL300020240860	1	35	-1.0	-38.71	330.32	5.43	-33.28
O=C(NC1=CC(F)=CC(Cl)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240861	0	35	-1.0	-39.71	310.86	4.97	-34.74
O=C(NC1=CC(F)=CC(Cl)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240861	1	35	-1.0	-39.76	310.92	4.99	-34.77
O=C(NC1=CC(F)=CC(Cl)=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020240862	0	32	-1.0	-48.77	296.97	4.05	-44.72
O=C(NC1=CC(F)=CC(Cl)=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020240862	1	32	-1.0	-48.80	297.03	4.08	-44.72
CSCC[C@H](NC(=O)NC1=CC(F)=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300020240863	0	35	-1.0	-42.56	340.51	4.03	-38.53
CSCC[C@H](NC(=O)NC1=CC(F)=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300020240863	1	35	-1.0	-42.54	340.56	4.05	-38.49
O=C(NC1=CC(F)=CC(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240864	0	32	-1.0	-39.97	298.37	4.11	-35.86
O=C(NC1=CC(F)=CC(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240864	1	32	-1.0	-40.02	298.44	4.12	-35.90
O=C(NC1=CC(F)=CC(Cl)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240865	0	38	-1.0	-45.32	320.00	5.96	-39.36
O=C(NC1=CC(F)=CC(Cl)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240865	1	38	-1.0	-45.33	320.05	5.97	-39.36
COC(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020240866	0	45	-1.0	-50.96	377.26	5.33	-45.63
COC(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020240866	1	45	-1.0	-50.95	377.20	5.30	-45.65
COC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020240867	0	45	-1.0	-45.57	356.96	4.86	-40.71
COC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020240867	1	45	-1.0	-45.59	357.01	4.88	-40.71
COC(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020240868	0	42	-1.0	-54.21	342.64	3.92	-50.29
COC(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020240868	1	42	-1.0	-54.13	342.69	3.93	-50.20
COC(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020240869	0	45	-1.0	-47.61	386.38	3.86	-43.75
COC(C)C1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020240869	1	45	-1.0	-47.60	386.43	3.87	-43.73
COC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020240870	0	42	-1.0	-43.50	343.96	3.99	-39.51
COC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020240870	1	42	-1.0	-43.54	344.04	3.99	-39.55
COC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020240871	0	48	-1.0	-53.10	366.82	5.82	-47.28
COC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020240871	1	48	-1.0	-53.06	366.87	5.83	-47.23
CC1=NN(C(C)C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240872	0	44	-1.0	-42.70	366.30	4.56	-38.14
CC1=NN(C(C)C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240872	1	44	-1.0	-42.72	366.24	4.54	-38.18
CC1=NN(C(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240873	0	44	-1.0	-44.39	347.05	4.05	-40.34
CC1=NN(C(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240873	1	44	-1.0	-44.36	347.10	4.07	-40.29
CC1=NN(C(C)C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240874	0	41	-1.0	-53.66	331.59	3.15	-50.51
CC1=NN(C(C)C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240874	1	41	-1.0	-53.70	331.64	3.17	-50.53
CSCC[C@H](NC(=O)NC1=CN(C(C)C)N=C1C)C1=N[N-]N=N1	REAL300020240875	0	44	-1.0	-46.87	375.22	3.12	-43.75
CSCC[C@H](NC(=O)NC1=CN(C(C)C)N=C1C)C1=NN=N[N-]1	REAL300020240875	1	44	-1.0	-46.91	375.28	3.14	-43.77
CC1=NN(C(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240876	0	41	-1.0	-44.11	333.07	3.19	-40.92
CC1=NN(C(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240876	1	41	-1.0	-44.12	333.14	3.20	-40.92
CC1=NN(C(C)C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240877	0	47	-1.0	-49.91	355.62	5.06	-44.85
CC1=NN(C(C)C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240877	1	47	-1.0	-49.89	355.67	5.06	-44.83
CC1=NC(Cl)=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240878	0	37	-1.0	-52.76	348.69	4.75	-48.01
CC1=NC(Cl)=C(Cl)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240878	1	37	-1.0	-52.75	348.63	4.72	-48.03
CC1=NC(Cl)=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240879	0	37	-1.0	-42.41	327.52	4.17	-38.24
CC1=NC(Cl)=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240879	1	37	-1.0	-42.47	327.58	4.18	-38.29
CC1=NC(Cl)=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240880	0	34	-1.0	-50.07	313.53	3.31	-46.76
CC1=NC(Cl)=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240880	1	34	-1.0	-50.08	313.59	3.34	-46.74
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(Cl)N=C1C)C1=N[N-]N=N1	REAL300020240881	0	37	-1.0	-43.79	357.03	3.27	-40.52
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(Cl)N=C1C)C1=NN=N[N-]1	REAL300020240881	1	37	-1.0	-43.81	357.09	3.29	-40.52
CC1=NC(Cl)=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240882	0	34	-1.0	-42.66	314.84	3.36	-39.30
CC1=NC(Cl)=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240882	1	34	-1.0	-42.67	314.92	3.37	-39.30
CC1=NC(Cl)=C(Cl)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240883	0	40	-1.0	-46.98	336.51	5.07	-41.91
CC1=NC(Cl)=C(Cl)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240883	1	40	-1.0	-46.94	336.57	5.08	-41.86
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=C(F)C(C(F)F)=C1	REAL300020240884	0	38	-1.0	-42.38	348.74	5.74	-36.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=C(F)C(C(F)F)=C1	REAL300020240884	1	38	-1.0	-42.39	348.80	5.76	-36.63
O=C(NC1=CC(F)=C(F)C(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240885	0	38	-1.0	-42.68	329.54	5.29	-37.39
O=C(NC1=CC(F)=C(F)C(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240885	1	38	-1.0	-42.68	329.60	5.30	-37.38
O=C(NC1=CC(F)=C(F)C(C(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240886	0	35	-1.0	-51.47	311.72	4.33	-47.14
O=C(NC1=CC(F)=C(F)C(C(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240886	1	35	-1.0	-51.50	311.77	4.34	-47.16
CSCC[C@H](NC(=O)NC1=CC(F)=C(F)C(C(F)F)=C1)C1=N[N-]N=N1	REAL300020240887	0	38	-1.0	-47.47	357.50	4.36	-43.11
CSCC[C@H](NC(=O)NC1=CC(F)=C(F)C(C(F)F)=C1)C1=NN=N[N-]1	REAL300020240887	1	38	-1.0	-47.50	357.56	4.38	-43.12
O=C(NC1=CC(F)=C(F)C(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240888	0	35	-1.0	-42.85	315.61	4.43	-38.42
O=C(NC1=CC(F)=C(F)C(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240888	1	35	-1.0	-42.88	315.69	4.43	-38.45
O=C(NC1=CC(F)=C(F)C(C(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240889	0	41	-1.0	-37.70	341.97	5.43	-32.27
O=C(NC1=CC(F)=C(F)C(C(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240889	1	41	-1.0	-37.69	342.01	5.45	-32.24
O=C(NC1=CC=C(Br)C2=CC=NC=C12)N1CCCC1C1=NN=N[N-]1	REAL300020240890	0	37	-1.0	-50.27	324.81	4.52	-45.75
O=C(NC1=CC=C(Br)C2=CC=NC=C12)N1CCCC1C1=N[N-]N=N1	REAL300020240890	1	37	-1.0	-50.27	324.75	4.49	-45.78
O=C(NC1=CC=C(Br)C2=CC=NC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020240891	0	37	-1.0	-42.50	327.11	4.58	-37.92
O=C(NC1=CC=C(Br)C2=CC=NC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020240891	1	37	-1.0	-42.52	327.03	4.57	-37.95
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1CCOC2	REAL300020240892	0	43	-1.0	-44.34	353.30	5.06	-39.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1CCOC2	REAL300020240892	1	43	-1.0	-44.35	353.25	5.04	-39.31
O=C(NC1=CC=CC2=C1CCOC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240893	0	43	-1.0	-43.18	334.26	4.53	-38.65
O=C(NC1=CC=CC2=C1CCOC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240893	1	43	-1.0	-43.18	334.31	4.55	-38.63
O=C(NC1=CC=CC2=C1CCOC2)N1CCCC1C1=N[N-]N=N1	REAL300020240894	0	40	-1.0	-55.81	319.91	3.66	-52.15
O=C(NC1=CC=CC2=C1CCOC2)N1CCCC1C1=NN=N[N-]1	REAL300020240894	1	40	-1.0	-55.79	319.97	3.69	-52.10
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCOC2)C1=N[N-]N=N1	REAL300020240895	0	43	-1.0	-48.45	363.46	3.64	-44.81
CSCC[C@H](NC(=O)NC1=CC=CC2=C1CCOC2)C1=NN=N[N-]1	REAL300020240895	1	43	-1.0	-48.43	363.52	3.66	-44.77
O=C(NC1=CC=CC2=C1CCOC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020240896	0	40	-1.0	-44.19	320.37	3.68	-40.51
O=C(NC1=CC=CC2=C1CCOC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020240896	1	40	-1.0	-44.19	320.44	3.70	-40.49
O=C(NC1=CC=CC2=C1CCOC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020240897	0	46	-1.0	-42.23	348.85	4.68	-37.55
O=C(NC1=CC=CC2=C1CCOC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020240897	1	46	-1.0	-42.23	348.91	4.70	-37.53
O=C(N[C@H](C1=CC=CC=C1C(F)(F)F)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240898	0	41	-1.0	-60.85	348.57	5.75	-55.10
O=C(N[C@H](C1=CC=CC=C1C(F)(F)F)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240898	1	41	-1.0	-60.83	348.62	5.77	-55.06
O=C(N[C@H](C1=CC=CC=C1C(F)(F)F)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240899	0	41	-1.0	-48.50	350.03	5.82	-42.68
O=C(N[C@H](C1=CC=CC=C1C(F)(F)F)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240899	1	41	-1.0	-48.54	350.11	5.83	-42.71
O=C(N[C@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240900	0	41	-1.0	-51.64	361.91	5.56	-46.08
O=C(N[C@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240900	1	41	-1.0	-51.63	361.97	5.58	-46.05
O=C(N[C@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240901	0	41	-1.0	-45.44	360.84	5.55	-39.89
O=C(N[C@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240901	1	41	-1.0	-45.44	360.91	5.57	-39.87
CNC(=O)C1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240902	0	42	-1.0	-45.08	362.12	1.03	-44.05
CNC(=O)C1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240902	1	42	-1.0	-45.07	362.07	1.00	-44.07
CNC(=O)C1=NN(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240903	0	42	-1.0	-46.30	342.94	0.56	-45.74
CNC(=O)C1=NN(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240903	1	42	-1.0	-46.30	342.88	0.54	-45.76
CNC(=O)C1=NN(C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240904	0	39	-1.0	-53.26	327.49	-0.34	-53.60
CNC(=O)C1=NN(C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240904	1	39	-1.0	-53.29	327.43	-0.36	-53.65
CNC(=O)C1=NN(C)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020240905	0	42	-1.0	-48.07	371.10	-0.39	-48.46
CNC(=O)C1=NN(C)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020240905	1	42	-1.0	-48.08	371.04	-0.40	-48.48
CNC(=O)C1=NN(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240906	0	39	-1.0	-44.60	328.98	-0.31	-44.91
CNC(=O)C1=NN(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240906	1	39	-1.0	-44.68	328.91	-0.33	-45.01
CNC(=O)C1=NN(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020240907	0	45	-1.0	-49.05	351.08	1.44	-47.61
CNC(=O)C1=NN(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020240907	1	45	-1.0	-49.03	351.03	1.43	-47.60
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(=O)N2CCOCC2)=N1	REAL300020240908	0	50	-1.0	-46.62	390.45	2.41	-44.21
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(=O)N2CCOCC2)=N1	REAL300020240908	1	50	-1.0	-46.57	390.39	2.40	-44.17
CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(=O)N2CCOCC2)=N1	REAL300020240909	0	47	-1.0	-52.99	374.96	1.50	-51.49
CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(=O)N2CCOCC2)=N1	REAL300020240909	1	47	-1.0	-52.98	374.91	1.47	-51.51
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(=O)N2CCOCC2)=N1	REAL300020240910	0	47	-1.0	-44.73	376.46	1.54	-43.19
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(=O)N2CCOCC2)=N1	REAL300020240910	1	47	-1.0	-44.77	376.38	1.52	-43.25
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(Br)=C1C#N	REAL300020240911	0	37	-1.0	-53.09	338.08	3.59	-49.50
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(Br)=C1C#N	REAL300020240911	1	37	-1.0	-53.09	338.14	3.61	-49.48
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Br)=C1C#N	REAL300020240912	0	37	-1.0	-43.34	339.20	3.70	-39.64
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Br)=C1C#N	REAL300020240912	1	37	-1.0	-43.38	339.28	3.70	-39.68
COC(=O)C1(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)CCC1	REAL300020240913	0	51	-1.0	-45.91	404.72	7.39	-38.52
COC(=O)C1(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CCC1	REAL300020240913	1	51	-1.0	-45.96	404.78	7.40	-38.56
COC(=O)C1(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)CCC1	REAL300020240914	0	48	-1.0	-55.99	388.24	6.47	-49.52
COC(=O)C1(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)CCC1	REAL300020240914	1	48	-1.0	-55.96	388.29	6.48	-49.48
COC(=O)C1(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)CCC1	REAL300020240915	0	48	-1.0	-45.43	390.62	6.53	-38.90
COC(=O)C1(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)CCC1	REAL300020240915	1	48	-1.0	-45.50	390.70	6.55	-38.95
COC(=O)C1(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)CCC1	REAL300020240916	0	54	-1.0	-44.48	417.44	7.53	-36.95
COC(=O)C1(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)CCC1	REAL300020240916	1	54	-1.0	-44.54	417.47	7.54	-37.00
CC(F)(F)CN1C=C(C#N)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020240917	0	42	-1.0	-54.95	382.70	6.10	-48.85
CC(F)(F)CN1C=C(C#N)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020240917	1	42	-1.0	-54.97	382.65	6.07	-48.90
CC(F)(F)CN1C=C(C#N)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020240918	0	42	-1.0	-56.29	363.51	5.59	-50.70
CC(F)(F)CN1C=C(C#N)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020240918	1	42	-1.0	-56.23	363.46	5.58	-50.65
CC(F)(F)CN1C=C(C#N)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020240919	0	39	-1.0	-68.44	348.05	4.69	-63.75
CC(F)(F)CN1C=C(C#N)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020240919	1	39	-1.0	-68.44	347.99	4.69	-63.75
CSCC[C@H](NC(=O)NC1=NN(CC(C)(F)F)C=C1C#N)C1=NN=N[N-]1	REAL300020240920	0	42	-1.0	-59.44	391.66	4.67	-54.77
CSCC[C@H](NC(=O)NC1=NN(CC(C)(F)F)C=C1C#N)C1=N[N-]N=N1	REAL300020240920	1	42	-1.0	-59.43	391.60	4.66	-54.77
CC(F)(F)CN1C=C(C#N)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020240921	0	39	-1.0	-56.79	349.54	4.77	-52.02
CC(F)(F)CN1C=C(C#N)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020240921	1	39	-1.0	-56.76	349.47	4.75	-52.01
CC(F)(F)CN1C=C(C#N)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020240922	0	45	-1.0	-62.76	372.00	6.48	-56.28
CC(F)(F)CN1C=C(C#N)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020240922	1	45	-1.0	-62.76	371.95	6.46	-56.30
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN=C1OC(F)F	REAL300020240923	0	38	-1.0	-45.99	340.41	2.36	-43.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN=C1OC(F)F	REAL300020240923	1	38	-1.0	-46.00	340.35	2.33	-43.67
O=C(NC1=CC=CN=C1OC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240924	0	38	-1.0	-45.17	321.38	1.84	-43.33
O=C(NC1=CC=CN=C1OC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240924	1	38	-1.0	-45.15	321.33	1.83	-43.32
O=C(NC1=CC=CN=C1OC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240925	0	35	-1.0	-53.90	305.31	0.95	-52.95
O=C(NC1=CC=CN=C1OC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240925	1	35	-1.0	-53.94	305.26	0.94	-53.00
CSCC[C@H](NC(=O)NC1=CC=CN=C1OC(F)F)C1=NN=N[N-]1	REAL300020240926	0	38	-1.0	-47.59	348.84	0.91	-46.68
CSCC[C@H](NC(=O)NC1=CC=CN=C1OC(F)F)C1=N[N-]N=N1	REAL300020240926	1	38	-1.0	-47.61	348.78	0.90	-46.71
O=C(NC1=CC=CN=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240927	0	35	-1.0	-45.29	307.47	1.01	-44.28
O=C(NC1=CC=CN=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240927	1	35	-1.0	-45.29	307.40	0.99	-44.30
O=C(NC1=CC=CN=C1OC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240928	0	41	-1.0	-49.18	327.44	2.74	-46.44
O=C(NC1=CC=CN=C1OC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240928	1	41	-1.0	-49.21	327.40	2.73	-46.48
CN1C(C2CC2)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)N1C1=CC=CC=C1	REAL300020240929	0	50	-1.0	-85.22	409.48	7.00	-78.22
CN1C(C2CC2)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)N1C1=CC=CC=C1	REAL300020240929	1	50	-1.0	-85.20	409.54	7.02	-78.18
CN1C(C2CC2)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1C1=CC=CC=C1	REAL300020240930	0	50	-1.0	-63.39	413.07	6.95	-56.44
CN1C(C2CC2)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1C1=CC=CC=C1	REAL300020240930	1	50	-1.0	-63.44	413.15	6.95	-56.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(C=C1[N+](=O)[O-])OCCC2	REAL300020240931	0	45	-1.0	-47.84	379.96	6.39	-41.45
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(C=C1[N+](=O)[O-])OCCC2	REAL300020240931	1	45	-1.0	-47.84	379.91	6.36	-41.48
O=C(NC1=CC2=C(C=C1[N+](=O)[O-])OCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240932	0	45	-1.0	-42.31	361.57	5.90	-36.41
O=C(NC1=CC2=C(C=C1[N+](=O)[O-])OCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240932	1	45	-1.0	-42.32	361.63	5.92	-36.40
O=C(NC1=CC2=C(C=C1[N+](=O)[O-])OCCC2)N1CCCC1C1=N[N-]N=N1	REAL300020240933	0	42	-1.0	-51.08	344.89	4.95	-46.13
O=C(NC1=CC2=C(C=C1[N+](=O)[O-])OCCC2)N1CCCC1C1=NN=N[N-]1	REAL300020240933	1	42	-1.0	-51.08	344.95	4.97	-46.11
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCC2)C1=N[N-]N=N1	REAL300020240934	0	45	-1.0	-43.38	389.56	5.03	-38.35
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCC2)C1=NN=N[N-]1	REAL300020240934	1	45	-1.0	-43.41	389.62	5.04	-38.37
O=C(NC1=CC2=C(C=C1[N+](=O)[O-])OCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020240935	0	42	-1.0	-42.01	347.37	5.09	-36.92
O=C(NC1=CC2=C(C=C1[N+](=O)[O-])OCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020240935	1	42	-1.0	-42.01	347.44	5.11	-36.90
O=C(NC1=CC2=C(C=C1[N+](=O)[O-])OCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020240936	0	48	-1.0	-49.43	374.52	6.09	-43.34
O=C(NC1=CC2=C(C=C1[N+](=O)[O-])OCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020240936	1	48	-1.0	-49.45	374.56	6.11	-43.34
CN1CCCC2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C21	REAL300020240937	0	47	-1.0	-56.51	374.21	5.81	-50.70
CN1CCCC2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C21	REAL300020240937	1	47	-1.0	-56.54	374.16	5.78	-50.76
CN1CCCC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C21	REAL300020240938	0	47	-1.0	-46.37	354.29	5.30	-41.07
CN1CCCC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C21	REAL300020240938	1	47	-1.0	-46.36	354.35	5.32	-41.04
CN1CCCC2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C21	REAL300020240939	0	44	-1.0	-57.41	340.01	4.29	-53.12
CN1CCCC2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C21	REAL300020240939	1	44	-1.0	-57.43	340.07	4.31	-53.12
CSCC[C@H](NC(=O)NC1=CC=CC2=C1N(C)CCC2)C1=N[N-]N=N1	REAL300020240940	0	47	-1.0	-50.84	383.22	4.40	-46.44
CSCC[C@H](NC(=O)NC1=CC=CC2=C1N(C)CCC2)C1=NN=N[N-]1	REAL300020240940	1	47	-1.0	-50.85	383.28	4.42	-46.43
CN1CCCC2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C21	REAL300020240941	0	44	-1.0	-43.40	341.37	4.81	-38.59
CN1CCCC2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C21	REAL300020240941	1	44	-1.0	-43.40	341.44	4.82	-38.58
CN1CCCC2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020240942	0	50	-1.0	-52.70	362.85	6.04	-46.66
CN1CCCC2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020240942	1	50	-1.0	-52.74	362.90	6.04	-46.70
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(C(F)(F)F)=C1	REAL300020240943	0	42	-1.0	-46.42	371.33	5.11	-41.31
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(C(F)(F)F)=C1	REAL300020240943	1	42	-1.0	-46.48	371.39	5.14	-41.34
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C(F)(F)F)=C1	REAL300020240944	0	42	-1.0	-41.57	352.72	4.58	-36.99
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C(F)(F)F)=C1	REAL300020240944	1	42	-1.0	-41.64	352.78	4.59	-37.05
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020240945	0	39	-1.0	-56.63	336.68	3.69	-52.94
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020240945	1	39	-1.0	-56.63	336.74	3.71	-52.92
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020240946	0	42	-1.0	-46.51	380.85	3.63	-42.88
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020240946	1	42	-1.0	-46.49	380.91	3.65	-42.84
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020240947	0	39	-1.0	-45.56	338.67	3.74	-41.82
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020240947	1	39	-1.0	-45.61	338.74	3.74	-41.87
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020240948	0	45	-1.0	-38.45	364.69	4.73	-33.72
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020240948	1	45	-1.0	-38.49	364.74	4.74	-33.75
O=C(NC1=CC=C(C2CC2)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240949	0	45	-1.0	-40.91	367.06	7.64	-33.27
O=C(NC1=CC=C(C2CC2)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240949	1	45	-1.0	-40.86	367.12	7.66	-33.20
O=C(NC1=CC=C(C2CC2)C=C1C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020240950	0	42	-1.0	-50.52	352.42	6.78	-43.74
O=C(NC1=CC=C(C2CC2)C=C1C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020240950	1	42	-1.0	-50.52	352.48	6.81	-43.71
O=C(NC1=CC=C(C2CC2)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020240951	0	42	-1.0	-40.24	353.00	6.78	-33.46
O=C(NC1=CC=C(C2CC2)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020240951	1	42	-1.0	-40.25	353.07	6.79	-33.46
O=C(NC1=CC=C(C2CC2)C=C1C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020240952	0	48	-1.0	-42.85	377.98	7.81	-35.04
O=C(NC1=CC=C(C2CC2)C=C1C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020240952	1	48	-1.0	-42.82	378.02	7.82	-35.00
CP(C)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020240953	0	44	-1.0	-61.28	383.37	4.34	-56.94
CP(C)(=O)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020240953	1	44	-1.0	-61.27	383.31	4.32	-56.95
CP(C)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020240954	0	44	-1.0	-51.36	364.21	3.86	-47.50
CP(C)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020240954	1	44	-1.0	-51.39	364.27	3.88	-47.51
CP(C)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020240955	0	41	-1.0	-60.51	348.79	2.95	-57.56
CP(C)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020240955	1	41	-1.0	-60.50	348.85	2.97	-57.53
CSCC[C@H](NC(=O)NC1=CC=C(P(C)(C)=O)C=C1)C1=N[N-]N=N1	REAL300020240956	0	44	-1.0	-55.80	392.33	2.91	-52.89
CSCC[C@H](NC(=O)NC1=CC=C(P(C)(C)=O)C=C1)C1=NN=N[N-]1	REAL300020240956	1	44	-1.0	-55.79	392.39	2.93	-52.86
CP(C)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020240957	0	41	-1.0	-50.91	350.18	3.01	-47.90
CP(C)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020240957	1	41	-1.0	-50.95	350.25	3.01	-47.94
CP(C)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020240958	0	47	-1.0	-45.22	376.63	4.05	-41.17
CP(C)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020240958	1	47	-1.0	-45.21	376.68	4.05	-41.16
COC(=O)C1=CC(Cl)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020240959	0	45	-1.0	-44.12	381.13	5.63	-38.49
COC(=O)C1=CC(Cl)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020240959	1	45	-1.0	-44.18	381.19	5.64	-38.54
COC(=O)C1=CC(Cl)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC	REAL300020240960	0	42	-1.0	-51.88	364.49	4.73	-47.15
COC(=O)C1=CC(Cl)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC	REAL300020240960	1	42	-1.0	-51.89	364.55	4.75	-47.14
COC(=O)C1=CC(Cl)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020240961	0	42	-1.0	-43.91	366.77	4.80	-39.11
COC(=O)C1=CC(Cl)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020240961	1	42	-1.0	-43.97	366.84	4.81	-39.16
CC1=NC(Cl)=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020240962	0	34	-1.0	-50.14	317.75	3.42	-46.72
CC1=NC(Cl)=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020240962	1	34	-1.0	-50.11	317.81	3.44	-46.67
CC1=NC(Cl)=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020240963	0	34	-1.0	-42.70	319.06	3.46	-39.24
CC1=NC(Cl)=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020240963	1	34	-1.0	-42.69	319.13	3.47	-39.22
COC(=O)C1=C(Cl)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1F	REAL300020240964	0	41	-1.0	-42.65	361.91	5.54	-37.11
COC(=O)C1=C(Cl)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1F	REAL300020240964	1	41	-1.0	-42.69	361.97	5.55	-37.14
COC(=O)C1=C(Cl)C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1F	REAL300020240965	0	38	-1.0	-50.15	345.37	4.65	-45.50
COC(=O)C1=C(Cl)C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1F	REAL300020240965	1	38	-1.0	-50.18	345.43	4.67	-45.51
COC(=O)C1=C(Cl)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020240966	0	38	-1.0	-42.81	347.55	4.70	-38.11
COC(=O)C1=C(Cl)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020240966	1	38	-1.0	-42.84	347.63	4.71	-38.13
COC(=O)C1=C(Cl)C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020240967	0	44	-1.0	-46.06	369.45	6.44	-39.62
COC(=O)C1=C(Cl)C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020240967	1	44	-1.0	-46.07	369.51	6.44	-39.63
NS(=O)(=O)C1=CC=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020240968	0	43	-1.0	-59.06	363.89	0.61	-58.45
NS(=O)(=O)C1=CC=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020240968	1	43	-1.0	-59.07	363.95	0.62	-58.45
NS(=O)(=O)C1=CC=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020240969	0	43	-1.0	-49.24	365.40	0.66	-48.58
NS(=O)(=O)C1=CC=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020240969	1	43	-1.0	-49.24	365.47	0.67	-48.57
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(F)=CN=C1Cl	REAL300020240970	0	34	-1.0	-39.18	318.22	3.62	-35.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(F)=CN=C1Cl	REAL300020240970	1	34	-1.0	-39.16	318.16	3.60	-35.56
O=C(NC1=CC(F)=CN=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240971	0	34	-1.0	-40.14	298.64	3.14	-37.00
O=C(NC1=CC(F)=CN=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240971	1	34	-1.0	-40.14	298.58	3.12	-37.02
O=C(NC1=CC(F)=CN=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020240972	0	31	-1.0	-48.46	284.13	2.24	-46.22
O=C(NC1=CC(F)=CN=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020240972	1	31	-1.0	-48.45	284.07	2.22	-46.23
CSCC[C@H](NC(=O)NC1=CC(F)=CN=C1Cl)C1=NN=N[N-]1	REAL300020240973	0	34	-1.0	-42.85	327.65	2.20	-40.65
CSCC[C@H](NC(=O)NC1=CC(F)=CN=C1Cl)C1=N[N-]N=N1	REAL300020240973	1	34	-1.0	-42.83	327.59	2.19	-40.64
O=C(NC1=CC(F)=CN=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020240974	0	31	-1.0	-40.49	286.35	2.31	-38.18
O=C(NC1=CC(F)=CN=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020240974	1	31	-1.0	-40.51	286.27	2.30	-38.21
O=C(NC1=CC(F)=CN=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020240975	0	37	-1.0	-45.14	307.64	4.03	-41.11
O=C(NC1=CC(F)=CN=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020240975	1	37	-1.0	-45.14	307.58	4.02	-41.12
CC1=NN2C=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2=N1	REAL300020240976	0	40	-1.0	-53.27	349.67	4.93	-48.34
CC1=NN2C=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2=N1	REAL300020240976	1	40	-1.0	-53.28	349.61	4.91	-48.37
CC1=NN2C=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=N1	REAL300020240977	0	40	-1.0	-56.96	329.96	4.52	-52.44
CC1=NN2C=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=N1	REAL300020240977	1	40	-1.0	-56.94	330.01	4.54	-52.40
CC1=NN2C=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C2=N1	REAL300020240978	0	37	-1.0	-70.57	314.52	3.62	-66.95
CC1=NN2C=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C2=N1	REAL300020240978	1	37	-1.0	-70.57	314.57	3.64	-66.93
CSCC[C@H](NC(=O)NC1=CC=CN2N=C(C)N=C12)C1=N[N-]N=N1	REAL300020240979	0	40	-1.0	-55.86	358.69	3.51	-52.35
CSCC[C@H](NC(=O)NC1=CC=CN2N=C(C)N=C12)C1=NN=N[N-]1	REAL300020240979	1	40	-1.0	-55.85	358.75	3.52	-52.33
CC1=NN2C=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=N1	REAL300020240980	0	37	-1.0	-57.35	315.88	3.68	-53.67
CC1=NN2C=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=N1	REAL300020240980	1	37	-1.0	-57.34	315.96	3.69	-53.65
CC1=NN2C=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=N1	REAL300020240981	0	43	-1.0	-59.26	338.21	5.51	-53.75
CC1=NN2C=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=N1	REAL300020240981	1	43	-1.0	-59.24	338.26	5.53	-53.71
CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2CCC2)=N1	REAL300020240982	0	45	-1.0	-48.60	373.51	5.24	-43.36
CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2CCC2)=N1	REAL300020240982	1	45	-1.0	-48.58	373.45	5.22	-43.36
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2CCC2)=N1	REAL300020240983	0	45	-1.0	-43.64	354.23	4.77	-38.87
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2CCC2)=N1	REAL300020240983	1	45	-1.0	-43.69	354.29	4.78	-38.91
CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C2CCC2)=N1	REAL300020240984	0	42	-1.0	-52.82	338.79	3.84	-48.98
CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C2CCC2)=N1	REAL300020240984	1	42	-1.0	-52.83	338.85	3.86	-48.97
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C1CCC1)C1=N[N-]N=N1	REAL300020240985	0	45	-1.0	-46.34	382.40	3.81	-42.53
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C1CCC1)C1=NN=N[N-]1	REAL300020240985	1	45	-1.0	-46.32	382.46	3.83	-42.49
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CCC2)=N1	REAL300020240986	0	42	-1.0	-43.68	340.26	3.89	-39.79
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CCC2)=N1	REAL300020240986	1	42	-1.0	-43.69	340.33	3.90	-39.79
CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C2CCC2)=N1	REAL300020240987	0	48	-1.0	-48.80	362.26	5.65	-43.15
CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C2CCC2)=N1	REAL300020240987	1	48	-1.0	-48.81	362.30	5.66	-43.15
CC(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020240988	0	47	-1.0	-50.63	382.68	3.37	-47.26
CC(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020240988	1	47	-1.0	-50.63	382.74	3.39	-47.24
CC(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020240989	0	44	-1.0	-60.33	368.26	2.39	-57.94
CC(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020240989	1	44	-1.0	-60.29	368.32	2.40	-57.89
CSCC[C@H](NC(=O)NC1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=N[N-]N=N1	REAL300020240990	0	47	-1.0	-53.89	411.80	2.35	-51.54
CSCC[C@H](NC(=O)NC1=CC=C(S(=O)(=O)C(C)C)C=C1)C1=NN=N[N-]1	REAL300020240990	1	47	-1.0	-53.86	411.85	2.36	-51.50
CC(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020240991	0	44	-1.0	-50.68	369.61	2.47	-48.21
CC(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020240991	1	44	-1.0	-50.76	369.68	2.49	-48.27
CC(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020240992	0	50	-1.0	-52.61	392.25	4.30	-48.31
CC(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020240992	1	50	-1.0	-52.56	392.30	4.30	-48.26
NS(=O)(=O)C1=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300020240993	0	43	-1.0	-60.10	368.56	0.63	-59.47
NS(=O)(=O)C1=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300020240993	1	43	-1.0	-60.13	368.62	0.65	-59.48
NS(=O)(=O)C1=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020240994	0	43	-1.0	-49.71	370.28	0.66	-49.05
NS(=O)(=O)C1=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020240994	1	43	-1.0	-49.72	370.36	0.66	-49.06
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(N2CCOCC2)N=C1	REAL300020240995	0	46	-1.0	-46.98	381.15	3.20	-43.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(N2CCOCC2)N=C1	REAL300020240995	1	46	-1.0	-46.98	381.10	3.18	-43.80
O=C(NC1=CN=C(N2CCOCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240996	0	46	-1.0	-45.56	362.05	2.69	-42.87
O=C(NC1=CN=C(N2CCOCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240996	1	46	-1.0	-45.55	361.99	2.68	-42.87
O=C(NC1=CN=C(N2CCOCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020240997	0	43	-1.0	-54.22	347.09	1.75	-52.47
O=C(NC1=CN=C(N2CCOCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020240997	1	43	-1.0	-54.16	347.03	1.72	-52.44
CSCC[C@H](NC(=O)NC1=CN=C(N2CCOCC2)N=C1)C1=NN=N[N-]1	REAL300020240998	0	46	-1.0	-47.74	390.59	1.71	-46.03
CSCC[C@H](NC(=O)NC1=CN=C(N2CCOCC2)N=C1)C1=N[N-]N=N1	REAL300020240998	1	46	-1.0	-47.74	390.53	1.70	-46.04
O=C(NC1=CN=C(N2CCOCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240999	0	43	-1.0	-46.19	348.44	1.81	-44.38
O=C(NC1=CN=C(N2CCOCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240999	1	43	-1.0	-46.19	348.37	1.79	-44.40
O=C(NC1=CN=C(N2CCOCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241000	0	49	-1.0	-52.56	367.87	3.63	-48.93
O=C(NC1=CN=C(N2CCOCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241000	1	49	-1.0	-52.50	367.83	3.62	-48.88
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=NN1C	REAL300020241001	0	44	-1.0	-45.91	374.30	3.90	-42.01
COC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=NN1C	REAL300020241001	1	44	-1.0	-45.89	374.25	3.87	-42.02
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=NN1C	REAL300020241002	0	44	-1.0	-46.29	354.82	3.38	-42.91
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=NN1C	REAL300020241002	1	44	-1.0	-46.34	354.88	3.40	-42.94
COC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=NN1C	REAL300020241003	0	41	-1.0	-56.36	348.17	2.63	-53.73
COC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=NN1C	REAL300020241003	1	41	-1.0	-56.38	348.23	2.64	-53.74
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=NN1C	REAL300020241004	0	44	-1.0	-51.50	387.83	2.32	-49.18
COC(=O)C1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=NN1C	REAL300020241004	1	44	-1.0	-51.46	387.89	2.33	-49.13
COC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=NN1C	REAL300020241005	0	41	-1.0	-46.32	345.88	2.44	-43.88
COC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=NN1C	REAL300020241005	1	41	-1.0	-46.36	345.95	2.45	-43.91
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=NN1C	REAL300020241006	0	47	-1.0	-51.61	360.04	4.34	-47.27
COC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=NN1C	REAL300020241006	1	47	-1.0	-51.62	360.09	4.35	-47.27
CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241007	0	49	-1.0	-44.83	392.90	7.82	-37.01
CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241007	1	49	-1.0	-44.81	392.95	7.84	-36.97
CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020241008	0	46	-1.0	-54.49	377.73	6.94	-47.55
CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020241008	1	46	-1.0	-54.50	377.79	6.96	-47.54
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=C2C)C=C1)C1=N[N-]N=N1	REAL300020241009	0	49	-1.0	-49.11	420.92	6.90	-42.21
CSCC[C@H](NC(=O)NC1=CC=C(OC2=CC=CC=C2C)C=C1)C1=NN=N[N-]1	REAL300020241009	1	49	-1.0	-49.12	420.98	6.91	-42.21
CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020241010	0	46	-1.0	-44.90	379.24	6.99	-37.91
CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020241010	1	46	-1.0	-44.94	379.32	7.00	-37.94
CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020241011	0	52	-1.0	-50.50	402.24	8.79	-41.71
CC1=CC=CC=C1OC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020241011	1	52	-1.0	-50.51	402.29	8.80	-41.71
O=C(NC1=CC=C(C2CC2(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241012	0	42	-1.0	-43.66	364.79	6.99	-36.67
O=C(NC1=CC=C(C2CC2(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241012	1	42	-1.0	-43.64	364.73	6.97	-36.67
O=C(NC1=CC=C(C2CC2(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241013	0	42	-1.0	-44.38	345.38	6.54	-37.84
O=C(NC1=CC=C(C2CC2(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241013	1	42	-1.0	-44.40	345.44	6.56	-37.84
O=C(NC1=CC=C(C2CC2(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241014	0	39	-1.0	-56.36	330.23	5.60	-50.76
O=C(NC1=CC=C(C2CC2(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241014	1	39	-1.0	-56.36	330.29	5.62	-50.74
CSCC[C@H](NC(=O)NC1=CC=C(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300020241015	0	42	-1.0	-50.29	373.79	5.56	-44.73
CSCC[C@H](NC(=O)NC1=CC=C(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300020241015	1	42	-1.0	-50.33	373.84	5.58	-44.75
O=C(NC1=CC=C(C2CC2(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241016	0	39	-1.0	-46.70	331.60	5.66	-41.04
O=C(NC1=CC=C(C2CC2(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241016	1	39	-1.0	-46.68	331.67	5.66	-41.02
O=C(NC1=CC=C(C2CC2(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241017	0	45	-1.0	-53.33	353.52	7.44	-45.89
O=C(NC1=CC=C(C2CC2(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241017	1	45	-1.0	-53.39	353.57	7.44	-45.95
CC1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=N1	REAL300020241018	0	39	-1.0	-45.84	333.71	3.62	-42.22
CC1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=N1	REAL300020241018	1	39	-1.0	-45.82	333.65	3.59	-42.23
CC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020241019	0	39	-1.0	-44.56	312.27	3.02	-41.54
CC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020241019	1	39	-1.0	-44.52	312.33	3.03	-41.49
CSCC[C@H](NC(=O)NC1=CN=C(C)N=C1C)C1=N[N-]N=N1	REAL300020241020	0	39	-1.0	-46.67	341.87	2.09	-44.58
CSCC[C@H](NC(=O)NC1=CN=C(C)N=C1C)C1=NN=N[N-]1	REAL300020241020	1	39	-1.0	-46.68	341.93	2.11	-44.57
CC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020241021	0	42	-1.0	-39.91	328.26	3.18	-36.73
CC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020241021	1	42	-1.0	-39.90	328.31	3.19	-36.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(N2CCC2)=C1	REAL300020241022	0	44	-1.0	-48.84	360.73	3.93	-44.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(N2CCC2)=C1	REAL300020241022	1	44	-1.0	-48.84	360.67	3.90	-44.94
O=C(NC1=CC=CC(N2CCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241023	0	44	-1.0	-47.26	341.67	3.39	-43.87
O=C(NC1=CC=CC(N2CCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241023	1	44	-1.0	-47.26	341.73	3.40	-43.86
O=C(NC1=CC=CC(N2CCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241024	0	41	-1.0	-53.53	326.35	2.47	-51.06
O=C(NC1=CC=CC(N2CCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241024	1	41	-1.0	-53.53	326.41	2.49	-51.04
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCC2)=C1)C1=N[N-]N=N1	REAL300020241025	0	44	-1.0	-53.53	369.88	2.45	-51.08
CSCC[C@H](NC(=O)NC1=CC=CC(N2CCC2)=C1)C1=NN=N[N-]1	REAL300020241025	1	44	-1.0	-53.57	369.94	2.46	-51.11
O=C(NC1=CC=CC(N2CCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241026	0	41	-1.0	-48.37	327.99	2.50	-45.87
O=C(NC1=CC=CC(N2CCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241026	1	41	-1.0	-48.37	328.07	2.51	-45.86
O=C(NC1=CC=CC(N2CCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241027	0	47	-1.0	-45.85	356.64	3.43	-42.42
O=C(NC1=CC=CC(N2CCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241027	1	47	-1.0	-45.85	356.68	3.44	-42.41
CS(C)(=O)=NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241028	0	47	-1.0	-63.13	390.90	2.64	-60.49
CS(C)(=O)=NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241028	1	47	-1.0	-63.17	390.96	2.65	-60.52
CS(C)(=O)=NC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241029	0	44	-1.0	-72.11	376.88	1.67	-70.44
CS(C)(=O)=NC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241029	1	44	-1.0	-72.11	376.94	1.68	-70.43
CS(C)(=O)=NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241030	0	44	-1.0	-63.15	378.20	1.72	-61.43
CS(C)(=O)=NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241030	1	44	-1.0	-63.17	378.27	1.73	-61.44
NS(=O)(=O)C1=CC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C2C=C1	REAL300020241031	0	43	-1.0	-60.38	365.04	0.74	-59.64
NS(=O)(=O)C1=CC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C2C=C1	REAL300020241031	1	43	-1.0	-60.39	365.10	0.75	-59.64
NS(=O)(=O)C1=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C2C=C1	REAL300020241032	0	43	-1.0	-50.83	367.42	0.81	-50.02
NS(=O)(=O)C1=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C2C=C1	REAL300020241032	1	43	-1.0	-50.85	367.49	0.82	-50.03
CN1C=CC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020241033	0	42	-1.0	-47.24	356.76	6.59	-40.65
CN1C=CC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020241033	1	42	-1.0	-47.22	356.71	6.57	-40.65
CN1C=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020241034	0	42	-1.0	-46.64	338.11	6.02	-40.62
CN1C=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020241034	1	42	-1.0	-46.64	338.17	6.04	-40.60
CN1C=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020241035	0	39	-1.0	-56.64	322.69	5.11	-51.53
CN1C=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020241035	1	39	-1.0	-56.64	322.75	5.13	-51.51
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C=CN2C)C1=N[N-]N=N1	REAL300020241036	0	42	-1.0	-49.83	366.23	5.09	-44.74
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C=CN2C)C1=NN=N[N-]1	REAL300020241036	1	42	-1.0	-49.83	366.29	5.10	-44.73
CN1C=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020241037	0	39	-1.0	-49.65	323.79	5.21	-44.44
CN1C=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020241037	1	39	-1.0	-49.69	323.87	5.22	-44.47
CN1C=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020241038	0	45	-1.0	-47.14	352.40	6.24	-40.90
CN1C=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020241038	1	45	-1.0	-47.07	352.46	6.25	-40.82
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NC=C1C	REAL300020241039	0	43	-1.0	-45.50	370.56	5.68	-39.82
COC(=O)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NC=C1C	REAL300020241039	1	43	-1.0	-45.48	370.50	5.65	-39.83
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC=C1C	REAL300020241040	0	43	-1.0	-44.66	348.74	4.58	-40.08
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC=C1C	REAL300020241040	1	43	-1.0	-44.65	348.69	4.56	-40.09
COC(=O)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NC=C1C	REAL300020241041	0	40	-1.0	-57.44	336.03	4.32	-53.12
COC(=O)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NC=C1C	REAL300020241041	1	40	-1.0	-57.43	335.97	4.31	-53.12
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NC=C1C	REAL300020241042	0	43	-1.0	-50.35	379.72	4.26	-46.09
COC(=O)C1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NC=C1C	REAL300020241042	1	43	-1.0	-50.36	379.67	4.25	-46.11
COC(=O)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NC=C1C	REAL300020241043	0	40	-1.0	-47.70	337.35	4.35	-43.35
COC(=O)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NC=C1C	REAL300020241043	1	40	-1.0	-47.75	337.27	4.33	-43.42
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=C1C	REAL300020241044	0	46	-1.0	-44.28	362.85	5.11	-39.17
COC(=O)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=C1C	REAL300020241044	1	46	-1.0	-44.25	362.82	5.09	-39.16
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(=O)N1C	REAL300020241045	0	41	-1.0	-47.80	348.86	4.04	-43.76
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(=O)N1C	REAL300020241045	1	41	-1.0	-47.78	348.80	4.02	-43.76
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(=O)N1C	REAL300020241046	0	41	-1.0	-57.07	324.49	3.44	-53.63
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(=O)N1C	REAL300020241046	1	41	-1.0	-57.07	324.54	3.45	-53.62
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(=O)N1C	REAL300020241047	0	38	-1.0	-54.35	313.63	2.64	-51.71
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(=O)N1C	REAL300020241047	1	38	-1.0	-54.36	313.69	2.66	-51.70
CSCC[C@H](NC(=O)NC1=CC(=O)N(C)C(C)=C1)C1=N[N-]N=N1	REAL300020241048	0	41	-1.0	-48.60	357.44	2.62	-45.98
CSCC[C@H](NC(=O)NC1=CC(=O)N(C)C(C)=C1)C1=NN=N[N-]1	REAL300020241048	1	41	-1.0	-48.56	357.49	2.63	-45.93
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(=O)N1C	REAL300020241049	0	38	-1.0	-47.77	315.19	2.71	-45.06
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(=O)N1C	REAL300020241049	1	38	-1.0	-47.76	315.26	2.73	-45.03
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(=O)N1C	REAL300020241050	0	44	-1.0	-51.04	338.84	3.69	-47.35
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(=O)N1C	REAL300020241050	1	44	-1.0	-51.06	338.89	3.70	-47.36
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241051	0	43	-1.0	-48.14	376.58	4.52	-43.62
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241051	1	43	-1.0	-48.13	376.52	4.50	-43.63
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241052	0	43	-1.0	-50.50	357.40	4.04	-46.46
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241052	1	43	-1.0	-50.46	357.34	4.03	-46.43
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241053	0	40	-1.0	-65.71	341.92	3.12	-62.59
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241053	1	40	-1.0	-65.69	341.86	3.11	-62.58
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CN=C2)N=C1C)C1=NN=N[N-]1	REAL300020241054	0	43	-1.0	-53.53	385.54	3.10	-50.43
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CN=C2)N=C1C)C1=N[N-]N=N1	REAL300020241054	1	43	-1.0	-53.51	385.49	3.08	-50.43
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241055	0	40	-1.0	-50.80	343.42	3.18	-47.62
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241055	1	40	-1.0	-50.78	343.34	3.17	-47.61
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241056	0	46	-1.0	-62.24	365.85	4.91	-57.33
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241056	1	46	-1.0	-62.27	365.79	4.90	-57.37
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(CC(C)C)=C1	REAL300020241057	0	53	-1.0	-44.14	410.00	8.30	-35.84
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(CC(C)C)=C1	REAL300020241057	1	53	-1.0	-44.15	410.05	8.31	-35.84
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(CC(C)C)=C1	REAL300020241058	0	50	-1.0	-51.66	400.09	6.91	-44.75
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(CC(C)C)=C1	REAL300020241058	1	50	-1.0	-51.65	400.15	6.94	-44.71
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(CC(C)C)=C1	REAL300020241059	0	50	-1.0	-44.17	393.64	7.12	-37.05
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(CC(C)C)=C1	REAL300020241059	1	50	-1.0	-44.21	393.71	7.14	-37.07
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1CC1=CC=CC=C1	REAL300020241060	0	48	-1.0	-51.13	405.90	7.88	-43.25
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1CC1=CC=CC=C1	REAL300020241060	1	48	-1.0	-51.13	405.85	7.86	-43.27
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1CC1=CC=CC=C1	REAL300020241061	0	48	-1.0	-47.18	386.64	7.37	-39.81
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1CC1=CC=CC=C1	REAL300020241061	1	48	-1.0	-47.23	386.69	7.39	-39.84
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1CC1=CC=CC=C1	REAL300020241062	0	45	-1.0	-56.51	371.19	6.47	-50.04
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1CC1=CC=CC=C1	REAL300020241062	1	45	-1.0	-56.55	371.24	6.49	-50.06
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020241063	0	48	-1.0	-49.75	414.81	6.44	-43.31
CSCC[C@H](NC(=O)NC1=NN(CC2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020241063	1	48	-1.0	-49.75	414.87	6.46	-43.29
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1CC1=CC=CC=C1	REAL300020241064	0	45	-1.0	-46.31	372.66	6.52	-39.79
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1CC1=CC=CC=C1	REAL300020241064	1	45	-1.0	-46.31	372.73	6.53	-39.78
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1CC1=CC=CC=C1	REAL300020241065	0	51	-1.0	-52.05	394.64	8.28	-43.77
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1CC1=CC=CC=C1	REAL300020241065	1	51	-1.0	-52.07	394.68	8.29	-43.78
COC1=CC(F)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020241066	0	39	-1.0	-53.06	353.30	4.73	-48.33
COC1=CC(F)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020241066	1	39	-1.0	-53.04	353.25	4.70	-48.34
COC1=CC(F)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020241067	0	39	-1.0	-42.54	334.09	4.27	-38.27
COC1=CC(F)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020241067	1	39	-1.0	-42.54	334.14	4.28	-38.26
COC1=CC(F)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020241068	0	36	-1.0	-51.78	319.12	3.34	-48.44
COC1=CC(F)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020241068	1	36	-1.0	-51.77	319.18	3.35	-48.42
COC1=CC(F)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020241069	0	39	-1.0	-46.54	362.64	3.29	-43.25
COC1=CC(F)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020241069	1	39	-1.0	-46.50	362.69	3.30	-43.20
COC1=CC(F)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020241070	0	36	-1.0	-42.91	320.46	3.39	-39.52
COC1=CC(F)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020241070	1	36	-1.0	-42.88	320.53	3.41	-39.47
COC1=CC(F)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020241071	0	42	-1.0	-48.16	343.09	5.12	-43.04
COC1=CC(F)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020241071	1	42	-1.0	-48.16	343.15	5.13	-43.03
O=C(N[C@@H](C1=CC=CC=C1C(F)(F)F)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020241072	0	41	-1.0	-58.10	348.38	5.27	-52.83
O=C(N[C@@H](C1=CC=CC=C1C(F)(F)F)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020241072	1	41	-1.0	-58.10	348.44	5.30	-52.80
O=C(N[C@@H](C1=CC=CC=C1C(F)(F)F)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020241073	0	41	-1.0	-43.11	351.07	5.82	-37.29
O=C(N[C@@H](C1=CC=CC=C1C(F)(F)F)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020241073	1	41	-1.0	-43.10	351.14	5.84	-37.26
O=C(N[C@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020241074	0	41	-1.0	-48.80	361.58	5.55	-43.25
O=C(N[C@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020241074	1	41	-1.0	-48.83	361.64	5.57	-43.26
O=C(N[C@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020241075	0	41	-1.0	-41.30	363.05	5.61	-35.69
O=C(N[C@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020241075	1	41	-1.0	-41.32	363.12	5.62	-35.70
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(OC2CC2)C=N1	REAL300020241076	0	45	-1.0	-41.57	378.10	4.71	-36.86
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(OC2CC2)C=N1	REAL300020241076	1	45	-1.0	-41.53	378.04	4.69	-36.84
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(OC2CC2)C=N1	REAL300020241077	0	45	-1.0	-42.85	359.16	4.17	-38.68
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(OC2CC2)C=N1	REAL300020241077	1	45	-1.0	-42.84	359.21	4.19	-38.65
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(OC2CC2)C=N1	REAL300020241078	0	42	-1.0	-53.07	344.86	3.27	-49.80
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(OC2CC2)C=N1	REAL300020241078	1	42	-1.0	-53.05	344.91	3.28	-49.77
CSCC[C@H](NC(=O)NC1=CC(C)=NC=C1OC1CC1)C1=N[N-]N=N1	REAL300020241079	0	45	-1.0	-46.07	387.79	3.22	-42.85
CSCC[C@H](NC(=O)NC1=CC(C)=NC=C1OC1CC1)C1=NN=N[N-]1	REAL300020241079	1	45	-1.0	-46.10	387.85	3.23	-42.87
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(OC2CC2)C=N1	REAL300020241080	0	42	-1.0	-43.17	346.44	3.31	-39.86
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(OC2CC2)C=N1	REAL300020241080	1	42	-1.0	-43.18	346.51	3.33	-39.85
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(OC2CC2)C=N1	REAL300020241081	0	48	-1.0	-43.85	370.59	4.24	-39.61
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(OC2CC2)C=N1	REAL300020241081	1	48	-1.0	-43.87	370.63	4.26	-39.61
COC1=CC=C([C@H](NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)F)C=C1	REAL300020241082	0	45	-1.0	-43.38	386.78	5.29	-38.09
COC1=CC=C([C@H](NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)F)C=C1	REAL300020241082	1	45	-1.0	-43.39	386.84	5.31	-38.08
COC1=CC=C([C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)F)C=C1	REAL300020241083	0	45	-1.0	-42.77	367.86	4.81	-37.96
COC1=CC=C([C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)F)C=C1	REAL300020241083	1	45	-1.0	-42.83	367.92	4.82	-38.01
COC1=CC=C([C@H](NC(=O)N2CCCC2C2=N[N-]N=N2)C(F)F)C=C1	REAL300020241084	0	42	-1.0	-50.69	352.43	3.88	-46.81
COC1=CC=C([C@H](NC(=O)N2CCCC2C2=NN=N[N-]2)C(F)F)C=C1	REAL300020241084	1	42	-1.0	-50.71	352.49	3.90	-46.81
COC1=CC=C([C@H](NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(F)F)C=C1	REAL300020241085	0	45	-1.0	-45.07	396.04	3.83	-41.24
COC1=CC=C([C@H](NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(F)F)C=C1	REAL300020241085	1	45	-1.0	-45.04	396.09	3.85	-41.19
COC1=CC=C([C@H](NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)F)C=C1	REAL300020241086	0	42	-1.0	-42.37	353.89	3.93	-38.44
COC1=CC=C([C@H](NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)F)C=C1	REAL300020241086	1	42	-1.0	-42.40	353.97	3.94	-38.46
COC1=CC=C([C@H](NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)F)C=C1	REAL300020241087	0	48	-1.0	-50.73	374.58	5.76	-44.97
COC1=CC=C([C@H](NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)F)C=C1	REAL300020241087	1	48	-1.0	-50.77	374.63	5.76	-45.01
CCOC(=O)N1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020241088	0	46	-1.0	-50.64	386.77	3.78	-46.86
CCOC(=O)N1CCC2=C(C1)SC(NC(=O)N1CCCC1C1=NN=N[N-]1)=N2	REAL300020241088	1	46	-1.0	-50.66	386.83	3.80	-46.86
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020241088	1	45	-2.0	-109.42	385.37	2.73	-106.69
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C1=NN=N[N-]1)=N2	REAL300020241088	1	45	-2.0	-109.43	385.43	2.76	-106.67
CCOC(=O)N1CCC2=C(C1)SC(NC(=O)N1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020241089	0	46	-1.0	-43.24	388.22	3.84	-39.40
CCOC(=O)N1CCC2=C(C1)SC(NC(=O)N1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020241089	1	46	-1.0	-43.25	388.29	3.85	-39.40
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020241089	1	45	-2.0	-90.34	386.11	2.77	-87.57
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020241089	1	45	-2.0	-90.32	386.18	2.79	-87.53
CN1N=CC(F)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241090	0	35	-1.0	-47.47	308.93	3.52	-43.95
CN1N=CC(F)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241090	1	35	-1.0	-47.40	308.88	3.49	-43.91
CSCC[C@H](NC(=O)NC1=C(F)C=NN1C)C1=NN=N[N-]1	REAL300020241091	0	35	-1.0	-51.34	317.57	2.09	-49.25
CSCC[C@H](NC(=O)NC1=C(F)C=NN1C)C1=N[N-]N=N1	REAL300020241091	1	35	-1.0	-51.33	317.52	2.07	-49.26
CN1N=CC(F)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241092	0	38	-1.0	-48.24	297.83	3.58	-44.66
CN1N=CC(F)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241092	1	38	-1.0	-48.22	297.83	3.56	-44.66
CN1N=CC2=NC(C(F)F)=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020241093	0	43	-1.0	-51.71	375.88	4.21	-47.50
CN1N=CC2=NC(C(F)F)=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020241093	1	43	-1.0	-51.69	375.82	4.19	-47.50
CN1N=CC2=NC(C(F)F)=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020241094	0	43	-1.0	-45.27	356.83	3.78	-41.49
CN1N=CC2=NC(C(F)F)=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020241094	1	43	-1.0	-45.28	356.89	3.80	-41.48
CN1N=CC2=NC(C(F)F)=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020241095	0	40	-1.0	-52.26	340.74	2.80	-49.46
CN1N=CC2=NC(C(F)F)=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020241095	1	40	-1.0	-52.27	340.80	2.81	-49.46
CSCC[C@H](NC(=O)NC1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL300020241096	0	43	-1.0	-48.15	384.11	2.70	-45.45
CSCC[C@H](NC(=O)NC1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL300020241096	1	43	-1.0	-48.18	384.17	2.72	-45.46
CN1N=CC2=NC(C(F)F)=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020241097	0	40	-1.0	-42.87	343.34	2.62	-40.25
CN1N=CC2=NC(C(F)F)=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020241097	1	40	-1.0	-42.90	343.41	2.64	-40.26
CN1N=CC2=NC(C(F)F)=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020241098	0	46	-1.0	-43.90	368.37	3.63	-40.27
CN1N=CC2=NC(C(F)F)=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020241098	1	46	-1.0	-43.93	368.40	3.65	-40.28
CCCSC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020241099	0	45	-1.0	-59.16	386.48	7.42	-51.74
CCCSC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020241099	1	45	-1.0	-59.16	386.42	7.39	-51.77
CCCSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241100	0	45	-1.0	-43.07	366.07	6.99	-36.08
CCCSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241100	1	45	-1.0	-43.08	366.13	7.00	-36.08
CCCSC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241101	0	42	-1.0	-60.97	351.67	6.05	-54.92
CCCSC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241101	1	42	-1.0	-60.96	351.73	6.07	-54.89
CCCSC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020241102	0	45	-1.0	-53.66	395.46	5.99	-47.67
CCCSC1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020241102	1	45	-1.0	-53.66	395.51	6.00	-47.66
CCCSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241103	0	42	-1.0	-47.81	353.31	6.08	-41.73
CCCSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241103	1	42	-1.0	-47.83	353.38	6.09	-41.74
CCCSC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020241104	0	48	-1.0	-43.10	381.70	7.13	-35.97
CCCSC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020241104	1	48	-1.0	-43.15	381.74	7.16	-35.99
CC1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C(C)=CC(=O)N2	REAL300020241105	0	47	-1.0	-52.20	391.22	5.35	-46.85
CC1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C(C)=CC(=O)N2	REAL300020241105	1	47	-1.0	-52.21	391.17	5.33	-46.88
CC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)CC1)C(C)=CC(=O)N2	REAL300020241106	0	47	-1.0	-47.19	370.92	4.80	-42.39
CC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)CC1)C(C)=CC(=O)N2	REAL300020241106	1	47	-1.0	-47.21	370.98	4.81	-42.40
CC1=CC2=C(C=C1NC(=O)N1CCCC1C1=N[N-]N=N1)C(C)=CC(=O)N2	REAL300020241107	0	44	-1.0	-56.31	358.19	3.95	-52.36
CC1=CC2=C(C=C1NC(=O)N1CCCC1C1=NN=N[N-]1)C(C)=CC(=O)N2	REAL300020241107	1	44	-1.0	-56.33	358.25	3.97	-52.36
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1C)NC(=O)C=C2C)C1=N[N-]N=N1	REAL300020241108	0	47	-1.0	-48.86	401.74	3.92	-44.94
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1C)NC(=O)C=C2C)C1=NN=N[N-]1	REAL300020241108	1	47	-1.0	-48.87	401.79	3.94	-44.93
CC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)C1)C(C)=CC(=O)N2	REAL300020241109	0	44	-1.0	-47.15	358.56	3.96	-43.19
CC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)C1)C(C)=CC(=O)N2	REAL300020241109	1	44	-1.0	-47.14	358.64	3.98	-43.16
CC1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)=CC(=O)N2	REAL300020241110	0	50	-1.0	-51.15	379.61	5.62	-45.53
CC1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)=CC(=O)N2	REAL300020241110	1	50	-1.0	-51.12	379.66	5.63	-45.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(P2(=O)CCCC2)=C1	REAL300020241111	0	48	-1.0	-52.32	405.87	5.81	-46.51
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(P2(=O)CCCC2)=C1	REAL300020241111	1	48	-1.0	-52.32	405.81	5.78	-46.54
O=C(NC1=CC=CC(P2(=O)CCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241112	0	48	-1.0	-47.10	385.54	5.35	-41.75
O=C(NC1=CC=CC(P2(=O)CCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241112	1	48	-1.0	-47.10	385.60	5.37	-41.73
O=C(NC1=CC=CC(P2(=O)CCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241113	0	45	-1.0	-66.03	371.19	4.41	-61.62
O=C(NC1=CC=CC(P2(=O)CCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241113	1	45	-1.0	-66.02	371.25	4.43	-61.59
CSCC[C@H](NC(=O)NC1=CC=CC(P2(=O)CCCC2)=C1)C1=N[N-]N=N1	REAL300020241114	0	48	-1.0	-54.62	415.02	4.34	-50.28
CSCC[C@H](NC(=O)NC1=CC=CC(P2(=O)CCCC2)=C1)C1=NN=N[N-]1	REAL300020241114	1	48	-1.0	-54.62	415.08	4.36	-50.26
O=C(NC1=CC=CC(P2(=O)CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241115	0	45	-1.0	-51.30	372.54	4.45	-46.85
O=C(NC1=CC=CC(P2(=O)CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241115	1	45	-1.0	-51.29	372.61	4.47	-46.82
O=C(NC1=CC=CC(P2(=O)CCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241116	0	51	-1.0	-48.50	401.23	5.48	-43.02
O=C(NC1=CC=CC(P2(=O)CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241116	1	51	-1.0	-48.49	401.27	5.51	-42.98
CCN1C(=O)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C(F)(F)F	REAL300020241117	0	44	-1.0	-41.67	355.41	4.49	-37.18
CCN1C(=O)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C(F)(F)F	REAL300020241117	1	44	-1.0	-41.68	355.46	4.50	-37.18
CCN1C(=O)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020241118	0	41	-1.0	-70.01	343.93	4.68	-65.33
CCN1C(=O)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020241118	1	41	-1.0	-70.04	343.99	4.70	-65.34
CCN1C(=O)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020241119	0	41	-1.0	-53.47	345.30	4.74	-48.73
CCN1C(=O)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020241119	1	41	-1.0	-53.50	345.38	4.75	-48.75
CCN1C(=O)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020241120	0	47	-1.0	-56.75	367.48	6.29	-50.46
CCN1C(=O)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020241120	1	47	-1.0	-56.79	367.52	6.31	-50.48
CN1N=CC2=NC(C(F)(F)F)=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020241121	0	43	-1.0	-41.75	362.93	3.81	-37.94
CN1N=CC2=NC(C(F)(F)F)=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020241121	1	43	-1.0	-41.73	362.87	3.79	-37.94
CN1N=CC2=NC(C(F)(F)F)=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020241122	0	40	-1.0	-48.30	348.85	2.92	-45.38
CN1N=CC2=NC(C(F)(F)F)=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020241122	1	40	-1.0	-48.32	348.79	2.90	-45.42
CN1N=CC2=NC(C(F)(F)F)=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020241123	0	40	-1.0	-40.64	348.59	2.91	-37.73
CN1N=CC2=NC(C(F)(F)F)=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020241123	1	40	-1.0	-40.60	348.52	2.89	-37.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C(F)F)=C1	REAL300020241124	0	38	-1.0	-62.10	337.52	5.69	-56.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C(F)F)=C1	REAL300020241124	1	38	-1.0	-62.06	337.46	5.66	-56.40
O=C(NC1=CC=CC(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241125	0	38	-1.0	-50.69	318.36	5.23	-45.46
O=C(NC1=CC=CC(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241125	1	38	-1.0	-50.77	318.42	5.24	-45.53
O=C(NC1=CC=CC(C(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241126	0	35	-1.0	-53.40	300.98	4.23	-49.17
O=C(NC1=CC=CC(C(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241126	1	35	-1.0	-53.43	301.04	4.25	-49.18
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL300020241127	0	38	-1.0	-56.89	346.45	4.25	-52.64
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL300020241127	1	38	-1.0	-56.90	346.51	4.26	-52.64
O=C(NC1=CC=CC(C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241128	0	35	-1.0	-50.86	304.30	4.35	-46.51
O=C(NC1=CC=CC(C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241128	1	35	-1.0	-50.86	304.37	4.36	-46.50
O=C(NC1=CC=CC(C(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241129	0	41	-1.0	-49.57	326.32	6.10	-43.47
O=C(NC1=CC=CC(C(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241129	1	41	-1.0	-49.57	326.37	6.12	-43.45
COC1=C(F)C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1F	REAL300020241130	0	39	-1.0	-39.97	347.15	4.38	-35.59
COC1=C(F)C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1F	REAL300020241130	1	39	-1.0	-39.98	347.09	4.35	-35.63
COC1=C(F)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1F	REAL300020241131	0	39	-1.0	-40.94	329.62	3.86	-37.08
COC1=C(F)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1F	REAL300020241131	1	39	-1.0	-40.95	329.67	3.88	-37.07
COC1=C(F)C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1F	REAL300020241132	0	36	-1.0	-47.60	313.07	2.98	-44.62
COC1=C(F)C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1F	REAL300020241132	1	36	-1.0	-47.59	313.13	2.99	-44.60
COC1=C(F)C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1F	REAL300020241133	0	39	-1.0	-41.97	356.59	2.93	-39.04
COC1=C(F)C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1F	REAL300020241133	1	39	-1.0	-41.93	356.65	2.94	-38.99
COC1=C(F)C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020241134	0	36	-1.0	-40.43	315.26	3.03	-37.40
COC1=C(F)C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020241134	1	36	-1.0	-40.44	315.33	3.04	-37.40
COC1=C(F)C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020241135	0	42	-1.0	-46.38	337.08	4.76	-41.62
COC1=C(F)C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020241135	1	42	-1.0	-46.37	337.14	4.76	-41.61
O=C(NC(C(F)F)C12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241136	0	55	-1.0	-43.15	390.55	7.39	-35.76
O=C(NC(C(F)F)C12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241136	1	55	-1.0	-43.20	390.60	7.40	-35.80
O=C(NC(C(F)F)C12CC3CC(CC(C3)C1)C2)N1CCCC1C1=N[N-]N=N1	REAL300020241137	0	52	-1.0	-55.38	374.83	6.48	-48.90
O=C(NC(C(F)F)C12CC3CC(CC(C3)C1)C2)N1CCCC1C1=NN=N[N-]1	REAL300020241137	1	52	-1.0	-55.41	374.89	6.50	-48.91
O=C(NC(C(F)F)C12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020241138	0	52	-1.0	-44.14	376.33	6.56	-37.58
O=C(NC(C(F)F)C12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020241138	1	52	-1.0	-44.13	376.40	6.57	-37.56
CN1C=NC2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2C1=O	REAL300020241139	0	43	-1.0	-57.15	368.98	5.53	-51.62
CN1C=NC2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2C1=O	REAL300020241139	1	43	-1.0	-57.15	368.92	5.51	-51.64
CN1C=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2C1=O	REAL300020241140	0	43	-1.0	-51.72	350.32	5.01	-46.71
CN1C=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2C1=O	REAL300020241140	1	43	-1.0	-51.70	350.26	4.99	-46.71
CN1C=NC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2C1=O	REAL300020241141	0	40	-1.0	-62.99	335.03	4.10	-58.89
CN1C=NC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2C1=O	REAL300020241141	1	40	-1.0	-63.00	334.97	4.08	-58.92
CSCC[C@H](NC(=O)NC1=CC=C2C(=O)N(C)C=NC2=C1)C1=NN=N[N-]1	REAL300020241142	0	43	-1.0	-56.42	378.84	4.02	-52.40
CSCC[C@H](NC(=O)NC1=CC=C2C(=O)N(C)C=NC2=C1)C1=N[N-]N=N1	REAL300020241142	1	43	-1.0	-56.41	378.78	4.00	-52.41
CN1C=NC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2C1=O	REAL300020241143	0	40	-1.0	-52.11	336.38	4.13	-47.98
CN1C=NC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2C1=O	REAL300020241143	1	40	-1.0	-52.09	336.30	4.12	-47.97
CN1C=NC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2C1=O	REAL300020241144	0	46	-1.0	-49.62	362.59	5.14	-44.48
CN1C=NC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2C1=O	REAL300020241144	1	46	-1.0	-49.62	362.55	5.13	-44.49
COC1=CC(OC(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241145	0	49	-1.0	-41.96	400.45	5.14	-36.82
COC1=CC(OC(C)C)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241145	1	49	-1.0	-41.94	400.39	5.12	-36.82
COC1=CC(OC(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241146	0	49	-1.0	-44.79	383.82	4.65	-40.14
COC1=CC(OC(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241146	1	49	-1.0	-44.85	383.88	4.67	-40.18
COC1=CC(OC(C)C)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241147	0	46	-1.0	-53.75	367.21	3.69	-50.06
COC1=CC(OC(C)C)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241147	1	46	-1.0	-53.77	367.27	3.70	-50.07
COC1=CC(OC(C)C)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020241148	0	49	-1.0	-47.20	410.89	3.66	-43.54
COC1=CC(OC(C)C)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020241148	1	49	-1.0	-47.20	410.95	3.67	-43.53
COC1=CC(OC(C)C)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241149	0	46	-1.0	-43.63	368.72	3.73	-39.90
COC1=CC(OC(C)C)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241149	1	46	-1.0	-43.69	368.80	3.75	-39.94
COC1=CC(OC(C)C)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241150	0	52	-1.0	-43.93	391.69	4.66	-39.27
COC1=CC(OC(C)C)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241150	1	52	-1.0	-43.96	391.73	4.67	-39.29
O=C(NC1=NSC2=CC=C(Br)C=C21)N1CCCC1C1=NN=N[N-]1	REAL300020241151	0	34	-1.0	-59.48	322.04	5.43	-54.05
O=C(NC1=NSC2=CC=C(Br)C=C21)N1CCCC1C1=N[N-]N=N1	REAL300020241151	1	34	-1.0	-59.48	321.98	5.41	-54.07
O=C(NC1=NSC2=CC=C(Br)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020241152	0	34	-1.0	-48.33	323.52	5.47	-42.86
O=C(NC1=NSC2=CC=C(Br)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020241152	1	34	-1.0	-48.34	323.44	5.46	-42.88
CC(F)(F)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020241153	0	40	-1.0	-48.19	353.23	6.29	-41.90
CC(F)(F)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020241153	1	40	-1.0	-48.14	353.17	6.26	-41.88
CC(F)(F)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020241154	0	40	-1.0	-47.51	334.37	5.78	-41.73
CC(F)(F)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020241154	1	40	-1.0	-47.49	334.31	5.77	-41.72
CC(F)(F)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020241155	0	37	-1.0	-58.02	318.95	4.86	-53.16
CC(F)(F)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020241155	1	37	-1.0	-57.99	318.89	4.84	-53.15
CSCC[C@H](NC(=O)NC1=CC=CC(C(C)(F)F)=N1)C1=NN=N[N-]1	REAL300020241156	0	40	-1.0	-50.72	362.48	4.82	-45.90
CSCC[C@H](NC(=O)NC1=CC=CC(C(C)(F)F)=N1)C1=N[N-]N=N1	REAL300020241156	1	40	-1.0	-50.78	362.42	4.81	-45.97
CC(F)(F)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020241157	0	37	-1.0	-48.08	320.30	4.93	-43.15
CC(F)(F)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020241157	1	37	-1.0	-48.09	320.23	4.92	-43.17
CC(F)(F)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020241158	0	43	-1.0	-51.92	338.42	6.74	-45.18
CC(F)(F)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020241158	1	43	-1.0	-51.97	338.39	6.75	-45.22
O=C(NC1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241159	0	45	-1.0	-53.85	369.07	0.71	-53.14
O=C(NC1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241159	1	45	-1.0	-53.84	369.01	0.69	-53.15
O=C(NC1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241160	0	42	-1.0	-66.78	353.64	-0.22	-67.00
O=C(NC1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241160	1	42	-1.0	-66.72	353.58	-0.24	-66.96
O=C(NC1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241161	0	42	-1.0	-57.08	355.12	-0.18	-57.26
O=C(NC1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241161	1	42	-1.0	-57.10	355.05	-0.19	-57.29
O=C(NC1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241162	0	48	-1.0	-61.01	377.09	1.58	-59.43
O=C(NC1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241162	1	48	-1.0	-61.05	377.05	1.58	-59.47
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C1CC1	REAL300020241163	0	42	-1.0	-41.58	349.56	7.06	-34.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C1CC1	REAL300020241163	1	42	-1.0	-41.57	349.50	7.03	-34.54
O=C(NC1=CC=CC=C1C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241164	0	42	-1.0	-43.11	328.42	6.52	-36.59
O=C(NC1=CC=CC=C1C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241164	1	42	-1.0	-43.14	328.48	6.54	-36.60
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1CC1)C1=N[N-]N=N1	REAL300020241165	0	42	-1.0	-46.67	358.76	5.63	-41.04
CSCC[C@H](NC(=O)NC1=CC=CC=C1C1CC1)C1=NN=N[N-]1	REAL300020241165	1	42	-1.0	-46.68	358.81	5.65	-41.03
O=C(NC1=CC=CC=C1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241166	0	45	-1.0	-49.69	337.92	7.42	-42.27
O=C(NC1=CC=CC=C1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241166	1	45	-1.0	-49.67	337.98	7.41	-42.26
CC(C)OC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C(F)(F)F)=C1	REAL300020241167	0	48	-1.0	-43.88	392.44	6.13	-37.75
CC(C)OC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C(F)(F)F)=C1	REAL300020241167	1	48	-1.0	-43.86	392.49	6.15	-37.71
CC(C)OC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020241168	0	45	-1.0	-56.04	377.33	5.29	-50.75
CC(C)OC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020241168	1	45	-1.0	-56.03	377.39	5.30	-50.73
CC(C)OC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020241169	0	45	-1.0	-43.94	378.76	5.34	-38.60
CC(C)OC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020241169	1	45	-1.0	-43.92	378.83	5.34	-38.58
CC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(F)(F)F	REAL300020241170	0	47	-1.0	-42.12	377.23	6.99	-35.13
CC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(F)(F)F	REAL300020241170	1	47	-1.0	-42.09	377.29	7.01	-35.08
CC(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020241171	0	44	-1.0	-49.78	361.80	6.10	-43.68
CC(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020241171	1	44	-1.0	-49.76	361.86	6.11	-43.65
CC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020241172	0	44	-1.0	-41.38	363.16	6.14	-35.24
CC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020241172	1	44	-1.0	-41.33	363.24	6.16	-35.17
CC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020241173	0	50	-1.0	-45.94	385.16	7.91	-38.03
CC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020241173	1	50	-1.0	-45.98	385.21	7.92	-38.06
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(Cl)C=C1C1CC1	REAL300020241174	0	45	-1.0	-50.06	384.22	8.04	-42.02
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(Cl)C=C1C1CC1	REAL300020241174	1	45	-1.0	-50.05	384.16	8.01	-42.04
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(Cl)C=C1C1CC1	REAL300020241175	0	45	-1.0	-41.66	366.19	7.53	-34.13
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(Cl)C=C1C1CC1	REAL300020241175	1	45	-1.0	-41.69	366.25	7.54	-34.15
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(Cl)C=C1C1CC1	REAL300020241176	0	42	-1.0	-50.93	349.59	6.61	-44.32
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(Cl)C=C1C1CC1	REAL300020241176	1	42	-1.0	-50.91	349.65	6.63	-44.28
CSCC[C@H](NC(=O)NC1=CC(C)=C(C2CC2)C=C1Cl)C1=N[N-]N=N1	REAL300020241177	0	45	-1.0	-45.14	393.38	6.62	-38.52
CSCC[C@H](NC(=O)NC1=CC(C)=C(C2CC2)C=C1Cl)C1=NN=N[N-]1	REAL300020241177	1	45	-1.0	-45.08	393.44	6.63	-38.45
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Cl)C=C1C1CC1	REAL300020241178	0	42	-1.0	-41.55	351.84	6.69	-34.86
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Cl)C=C1C1CC1	REAL300020241178	1	42	-1.0	-41.56	351.91	6.70	-34.86
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(Cl)C=C1C1CC1	REAL300020241179	0	48	-1.0	-42.29	375.30	7.70	-34.59
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(Cl)C=C1C1CC1	REAL300020241179	1	48	-1.0	-42.31	375.33	7.71	-34.60
CC1=CC=C(C(C)C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241180	0	47	-1.0	-55.23	381.84	7.60	-47.63
CC1=CC=C(C(C)C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241180	1	47	-1.0	-55.24	381.78	7.57	-47.67
CC1=CC=C(C(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241181	0	47	-1.0	-43.76	360.58	7.02	-36.74
CC1=CC=C(C(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241181	1	47	-1.0	-43.79	360.64	7.03	-36.76
CC1=CC=C(C(C)C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241182	0	44	-1.0	-54.94	346.51	6.15	-48.79
CC1=CC=C(C(C)C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241182	1	44	-1.0	-54.98	346.57	6.17	-48.81
CSCC[C@H](NC(=O)NC1=CC(C(C)C)=CC=C1C)C1=N[N-]N=N1	REAL300020241183	0	47	-1.0	-47.54	391.00	6.17	-41.37
CSCC[C@H](NC(=O)NC1=CC(C(C)C)=CC=C1C)C1=NN=N[N-]1	REAL300020241183	1	47	-1.0	-47.57	391.06	6.18	-41.39
CC1=CC=C(C(C)C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241184	0	44	-1.0	-44.89	347.84	6.20	-38.69
CC1=CC=C(C(C)C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241184	1	44	-1.0	-44.86	347.91	6.21	-38.65
CC1=CC=C(C(C)C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241185	0	50	-1.0	-50.70	369.43	7.92	-42.78
CC1=CC=C(C(C)C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241185	1	50	-1.0	-50.72	369.48	7.93	-42.79
COC(=O)CN1C=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020241186	0	48	-1.0	-51.88	394.39	7.19	-44.69
COC(=O)CN1C=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020241186	1	48	-1.0	-51.95	394.45	7.21	-44.74
COC(=O)CN1C=CC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020241187	0	45	-1.0	-66.90	378.99	6.29	-60.61
COC(=O)CN1C=CC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020241187	1	45	-1.0	-66.88	379.04	6.30	-60.58
COC(=O)CN1C=CC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020241188	0	45	-1.0	-51.58	380.35	6.34	-45.24
COC(=O)CN1C=CC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020241188	1	45	-1.0	-51.58	380.43	6.35	-45.23
COC(=O)CN1C=CC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020241189	0	51	-1.0	-51.58	408.69	7.42	-44.16
COC(=O)CN1C=CC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020241189	1	51	-1.0	-51.57	408.75	7.42	-44.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(C2CCCC2)N=C1	REAL300020241190	0	46	-1.0	-42.80	379.23	5.23	-37.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(C2CCCC2)N=C1	REAL300020241190	1	46	-1.0	-42.75	379.17	5.21	-37.54
O=C(NC1=CN=C(C2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241191	0	46	-1.0	-44.53	360.02	4.75	-39.78
O=C(NC1=CN=C(C2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241191	1	46	-1.0	-44.54	360.07	4.76	-39.78
O=C(NC1=CN=C(C2CCCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241192	0	43	-1.0	-54.75	344.50	3.87	-50.88
O=C(NC1=CN=C(C2CCCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241192	1	43	-1.0	-54.74	344.56	3.90	-50.84
CSCC[C@H](NC(=O)NC1=CN=C(C2CCCC2)N=C1)C1=N[N-]N=N1	REAL300020241193	0	46	-1.0	-47.76	388.02	3.83	-43.93
CSCC[C@H](NC(=O)NC1=CN=C(C2CCCC2)N=C1)C1=NN=N[N-]1	REAL300020241193	1	46	-1.0	-47.74	388.08	3.85	-43.89
O=C(NC1=CN=C(C2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241194	0	43	-1.0	-44.61	345.88	3.92	-40.69
O=C(NC1=CN=C(C2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241194	1	43	-1.0	-44.62	345.95	3.93	-40.69
O=C(NC1=CN=C(C2CCCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241195	0	49	-1.0	-39.52	374.49	5.04	-34.48
O=C(NC1=CN=C(C2CCCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241195	1	49	-1.0	-39.51	374.54	5.06	-34.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1C=CC(F)(F)F	REAL300020241196	0	42	-1.0	-42.02	369.36	7.24	-34.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1C=CC(F)(F)F	REAL300020241196	1	42	-1.0	-41.99	369.30	7.21	-34.78
O=C(NC1=CC=CC=C1C=CC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241197	0	42	-1.0	-43.28	351.42	6.76	-36.52
O=C(NC1=CC=CC=C1C=CC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241197	1	42	-1.0	-43.28	351.48	6.78	-36.50
O=C(NC1=CC=CC=C1C=CC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020241198	0	39	-1.0	-53.64	336.11	5.85	-47.79
O=C(NC1=CC=CC=C1C=CC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020241198	1	39	-1.0	-53.64	336.17	5.88	-47.76
CSCC[C@H](NC(=O)NC1=CC=CC=C1C=CC(F)(F)F)C1=N[N-]N=N1	REAL300020241199	0	42	-1.0	-46.29	379.66	5.82	-40.47
CSCC[C@H](NC(=O)NC1=CC=CC=C1C=CC(F)(F)F)C1=NN=N[N-]1	REAL300020241199	1	42	-1.0	-46.27	379.72	5.84	-40.43
O=C(NC1=CC=CC=C1C=CC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020241200	0	39	-1.0	-43.65	337.51	5.90	-37.75
O=C(NC1=CC=CC=C1C=CC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020241200	1	39	-1.0	-43.65	337.58	5.91	-37.74
O=C(NC1=CC=CC=C1C=CC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020241201	0	45	-1.0	-48.54	359.00	7.72	-40.82
O=C(NC1=CC=CC=C1C=CC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020241201	1	45	-1.0	-48.52	359.05	7.72	-40.80
O=C(NC1=NOC(C2CCC2)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241202	0	41	-1.0	-40.51	347.63	6.10	-34.41
O=C(NC1=NOC(C2CCC2)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241202	1	41	-1.0	-40.52	347.57	6.08	-34.44
O=C(NC1=NOC(C2CCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241203	0	41	-1.0	-42.30	328.37	5.60	-36.70
O=C(NC1=NOC(C2CCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241203	1	41	-1.0	-42.33	328.42	5.62	-36.71
O=C(NC1=NOC(C2CCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241204	0	38	-1.0	-49.80	312.94	4.68	-45.12
O=C(NC1=NOC(C2CCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241204	1	38	-1.0	-49.85	313.00	4.71	-45.14
CSCC[C@H](NC(=O)NC1=NOC(C2CCC2)=C1)C1=N[N-]N=N1	REAL300020241205	0	41	-1.0	-43.86	356.55	4.66	-39.20
CSCC[C@H](NC(=O)NC1=NOC(C2CCC2)=C1)C1=NN=N[N-]1	REAL300020241205	1	41	-1.0	-43.85	356.61	4.68	-39.17
O=C(NC1=NOC(C2CCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241206	0	38	-1.0	-40.94	314.40	4.75	-36.19
O=C(NC1=NOC(C2CCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241206	1	38	-1.0	-40.91	314.48	4.76	-36.15
O=C(NC1=NOC(C2CCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241207	0	44	-1.0	-46.17	336.53	6.49	-39.68
O=C(NC1=NOC(C2CCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241207	1	44	-1.0	-46.14	336.58	6.51	-39.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(F)=C1OC(F)(F)F	REAL300020241208	0	39	-1.0	-40.23	357.45	5.09	-35.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(F)=C1OC(F)(F)F	REAL300020241208	1	39	-1.0	-40.28	357.51	5.11	-35.17
O=C(NC1=CC=CC(F)=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241209	0	39	-1.0	-42.47	338.68	4.62	-37.85
O=C(NC1=CC=CC(F)=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241209	1	39	-1.0	-42.50	338.73	4.63	-37.87
O=C(NC1=CC=CC(F)=C1OC(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020241210	0	36	-1.0	-49.78	323.94	3.71	-46.07
O=C(NC1=CC=CC(F)=C1OC(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020241210	1	36	-1.0	-49.77	324.00	3.72	-46.05
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300020241211	0	39	-1.0	-41.96	366.91	3.67	-38.29
CSCC[C@H](NC(=O)NC1=CC=CC(F)=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300020241211	1	39	-1.0	-41.95	366.96	3.69	-38.26
O=C(NC1=CC=CC(F)=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020241212	0	36	-1.0	-41.29	325.54	3.75	-37.54
O=C(NC1=CC=CC(F)=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020241212	1	36	-1.0	-41.28	325.61	3.76	-37.52
O=C(NC1=CC=CC(F)=C1OC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020241213	0	42	-1.0	-45.72	347.25	5.49	-40.23
O=C(NC1=CC=CC(F)=C1OC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020241213	1	42	-1.0	-45.71	347.31	5.49	-40.22
NC(=O)C1=CC(Cl)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020241214	0	39	-1.0	-49.25	354.58	2.06	-47.19
NC(=O)C1=CC(Cl)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020241214	1	39	-1.0	-49.23	354.52	2.03	-47.20
NC(=O)C1=CC(Cl)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241215	0	39	-1.0	-46.34	335.31	1.58	-44.76
NC(=O)C1=CC(Cl)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241215	1	39	-1.0	-46.34	335.37	1.60	-44.74
NC(=O)C1=CC(Cl)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241216	0	36	-1.0	-66.00	319.78	0.69	-65.31
NC(=O)C1=CC(Cl)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241216	1	36	-1.0	-66.06	319.83	0.71	-65.35
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020241217	0	39	-1.0	-53.17	363.57	0.63	-52.54
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020241217	1	39	-1.0	-53.19	363.63	0.64	-52.55
NC(=O)C1=CC(Cl)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241218	0	36	-1.0	-51.82	321.16	0.75	-51.07
NC(=O)C1=CC(Cl)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241218	1	36	-1.0	-51.81	321.23	0.75	-51.06
NC(=O)C1=CC(Cl)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020241219	0	42	-1.0	-45.22	347.74	1.73	-43.49
NC(=O)C1=CC(Cl)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020241219	1	42	-1.0	-45.23	347.79	1.74	-43.49
CC1=NC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)=CO1	REAL300020241220	0	44	-1.0	-45.25	379.58	3.83	-41.42
CC1=NC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=CO1	REAL300020241220	1	44	-1.0	-45.25	379.53	3.81	-41.44
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=CO1	REAL300020241221	0	44	-1.0	-47.03	359.23	3.38	-43.65
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=CO1	REAL300020241221	1	44	-1.0	-47.06	359.18	3.36	-43.70
CC1=NC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=CO1	REAL300020241222	0	41	-1.0	-56.41	344.93	2.45	-53.96
CC1=NC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=CO1	REAL300020241222	1	41	-1.0	-56.41	344.87	2.43	-53.98
CSCC[C@H](NC(=O)NC1=CC=C(C2=COC(C)=N2)C=C1)C1=NN=N[N-]1	REAL300020241223	0	44	-1.0	-56.80	388.73	2.39	-54.41
CSCC[C@H](NC(=O)NC1=CC=C(C2=COC(C)=N2)C=C1)C1=N[N-]N=N1	REAL300020241223	1	44	-1.0	-56.78	388.68	2.38	-54.40
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=CO1	REAL300020241224	0	41	-1.0	-51.24	346.59	2.47	-48.77
CC1=NC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=CO1	REAL300020241224	1	41	-1.0	-51.21	346.52	2.46	-48.75
CC1=NC(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=CO1	REAL300020241225	0	47	-1.0	-51.50	366.07	4.30	-47.20
CC1=NC(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=CO1	REAL300020241225	1	47	-1.0	-51.52	366.03	4.29	-47.23
CCOC(=O)N1CCCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020241226	0	53	-1.0	-48.24	411.65	6.57	-41.67
CCOC(=O)N1CCCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020241226	1	53	-1.0	-48.24	411.71	6.58	-41.66
CCOC(=O)N1CCCC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020241227	0	50	-1.0	-59.07	395.87	5.51	-53.56
CCOC(=O)N1CCCC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020241227	1	50	-1.0	-59.09	395.93	5.53	-53.56
CCOC(=O)N1CCCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020241228	0	50	-1.0	-47.48	397.03	5.60	-41.88
CCOC(=O)N1CCCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020241228	1	50	-1.0	-47.51	397.10	5.61	-41.90
CC1=NOC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)=N1	REAL300020241229	0	43	-1.0	-51.26	375.21	4.19	-47.07
CC1=NOC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=N1	REAL300020241229	1	43	-1.0	-51.22	375.15	4.16	-47.06
CC1=NOC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300020241230	0	43	-1.0	-46.02	355.18	3.68	-42.34
CC1=NOC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300020241230	1	43	-1.0	-46.02	355.12	3.67	-42.35
CC1=NOC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020241231	0	40	-1.0	-53.20	341.19	2.73	-50.47
CC1=NOC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020241231	1	40	-1.0	-53.15	341.13	2.71	-50.44
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC(C)=NO2)C=C1)C1=NN=N[N-]1	REAL300020241232	0	43	-1.0	-48.40	384.44	2.73	-45.67
CSCC[C@H](NC(=O)NC1=CC=C(C2=NC(C)=NO2)C=C1)C1=N[N-]N=N1	REAL300020241232	1	43	-1.0	-48.42	384.38	2.71	-45.71
CC1=NOC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020241233	0	40	-1.0	-45.51	342.58	2.78	-42.73
CC1=NOC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020241233	1	40	-1.0	-45.48	342.50	2.78	-42.70
CC1=NOC(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=N1	REAL300020241234	0	46	-1.0	-39.93	368.88	3.81	-36.12
CC1=NOC(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=N1	REAL300020241234	1	46	-1.0	-39.96	368.84	3.79	-36.17
COCCN1C=C(C#N)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020241235	0	43	-1.0	-54.95	384.10	4.13	-50.82
COCCN1C=C(C#N)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020241235	1	43	-1.0	-54.93	384.04	4.10	-50.83
COCCN1C=C(C#N)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020241236	0	43	-1.0	-50.46	364.86	3.63	-46.83
COCCN1C=C(C#N)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020241236	1	43	-1.0	-50.50	364.80	3.61	-46.89
COCCN1C=C(C#N)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020241237	0	40	-1.0	-59.67	349.41	2.73	-56.94
COCCN1C=C(C#N)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020241237	1	40	-1.0	-59.64	349.35	2.72	-56.92
COCCN1C=C(C#N)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020241238	0	43	-1.0	-53.36	393.04	2.71	-50.65
COCCN1C=C(C#N)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020241238	1	43	-1.0	-53.38	392.98	2.69	-50.69
COCCN1C=C(C#N)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020241239	0	40	-1.0	-49.96	350.91	2.80	-47.16
COCCN1C=C(C#N)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020241239	1	40	-1.0	-49.95	350.84	2.79	-47.16
COCCN1C=C(C#N)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020241240	0	46	-1.0	-54.52	373.34	4.51	-50.01
COCCN1C=C(C#N)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020241240	1	46	-1.0	-54.53	373.29	4.50	-50.03
O=C(NC1=CN=C2C=C(Br)C=CN12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241241	0	38	-1.0	-46.04	331.47	6.38	-39.66
O=C(NC1=CN=C2C=C(Br)C=CN12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241241	1	38	-1.0	-46.02	331.41	6.37	-39.65
O=C(NC1=CN=C2C=C(Br)C=CN12)N1CCCC1C1=NN=N[N-]1	REAL300020241242	0	35	-1.0	-56.99	316.04	5.46	-51.53
O=C(NC1=CN=C2C=C(Br)C=CN12)N1CCCC1C1=N[N-]N=N1	REAL300020241242	1	35	-1.0	-57.00	315.98	5.43	-51.57
O=C(NC1=CN=C2C=C(Br)C=CN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020241243	0	35	-1.0	-46.64	317.51	5.50	-41.14
O=C(NC1=CN=C2C=C(Br)C=CN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020241243	1	35	-1.0	-46.63	317.44	5.49	-41.14
CC(C)C1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241244	0	47	-1.0	-41.68	380.11	7.42	-34.26
CC(C)C1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241244	1	47	-1.0	-41.68	380.17	7.43	-34.25
CC(C)C1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241245	0	44	-1.0	-51.86	364.22	6.53	-45.33
CC(C)C1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241245	1	44	-1.0	-51.87	364.28	6.56	-45.31
CC(C)C1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241246	0	44	-1.0	-41.80	364.85	6.56	-35.24
CC(C)C1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241246	1	44	-1.0	-41.76	364.93	6.58	-35.18
CC(C)C1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241247	0	50	-1.0	-47.89	386.97	8.38	-39.51
CC(C)C1=CC(C(F)(F)F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241247	1	50	-1.0	-47.85	387.02	8.39	-39.46
CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020241248	0	42	-1.0	-52.18	384.78	2.65	-49.53
CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020241248	1	42	-1.0	-52.23	384.83	2.68	-49.55
CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241249	0	42	-1.0	-53.35	365.70	2.18	-51.17
CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241249	1	42	-1.0	-53.33	365.76	2.20	-51.13
CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241250	0	39	-1.0	-65.03	350.14	1.29	-63.74
CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241250	1	39	-1.0	-65.03	350.20	1.31	-63.72
CSCC[C@H](NC(=O)NC1=CC(C#N)=CC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020241251	0	42	-1.0	-57.64	393.83	1.25	-56.39
CSCC[C@H](NC(=O)NC1=CC(C#N)=CC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020241251	1	42	-1.0	-57.64	393.89	1.27	-56.37
CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241252	0	39	-1.0	-54.39	351.40	1.38	-53.01
CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241252	1	39	-1.0	-54.42	351.48	1.39	-53.03
CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020241253	0	45	-1.0	-49.61	377.97	2.36	-47.25
CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020241253	1	45	-1.0	-49.58	378.01	2.37	-47.21
CC1=CN2C=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC2=N1	REAL300020241254	0	41	-1.0	-45.60	354.83	5.94	-39.66
CC1=CN2C=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC2=N1	REAL300020241254	1	41	-1.0	-45.55	354.77	5.91	-39.64
CC1=CN2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC2=N1	REAL300020241255	0	41	-1.0	-46.57	330.32	5.32	-41.25
CC1=CN2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC2=N1	REAL300020241255	1	41	-1.0	-46.61	330.38	5.34	-41.27
CC1=CN2C=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC2=N1	REAL300020241256	0	38	-1.0	-57.16	319.83	4.57	-52.59
CC1=CN2C=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC2=N1	REAL300020241256	1	38	-1.0	-57.17	319.89	4.59	-52.58
CSCC[C@H](NC(=O)NC1=CN2C=C(C)N=C2C=C1)C1=N[N-]N=N1	REAL300020241257	0	41	-1.0	-50.63	363.39	4.52	-46.11
CSCC[C@H](NC(=O)NC1=CN2C=C(C)N=C2C=C1)C1=NN=N[N-]1	REAL300020241257	1	41	-1.0	-50.63	363.45	4.54	-46.09
CC1=CN2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC2=N1	REAL300020241258	0	38	-1.0	-47.18	321.21	4.63	-42.55
CC1=CN2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC2=N1	REAL300020241258	1	38	-1.0	-47.16	321.28	4.63	-42.53
CC1=CN2C=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC2=N1	REAL300020241259	0	44	-1.0	-41.28	344.94	5.59	-35.69
CC1=CN2C=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC2=N1	REAL300020241259	1	44	-1.0	-41.32	344.98	5.60	-35.72
CC(C)OC1=CC(F)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020241260	0	45	-1.0	-42.61	378.89	5.72	-36.89
CC(C)OC1=CC(F)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020241260	1	45	-1.0	-42.61	378.83	5.69	-36.92
CC(C)OC1=CC(F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241261	0	45	-1.0	-44.12	359.80	5.19	-38.93
CC(C)OC1=CC(F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241261	1	45	-1.0	-44.15	359.86	5.21	-38.94
CC(C)OC1=CC(F)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241262	0	42	-1.0	-56.20	344.29	4.31	-51.89
CC(C)OC1=CC(F)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241262	1	42	-1.0	-56.18	344.35	4.31	-51.87
CSCC[C@H](NC(=O)NC1=CC(F)=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300020241263	0	45	-1.0	-48.52	388.58	4.33	-44.19
CSCC[C@H](NC(=O)NC1=CC(F)=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300020241263	1	45	-1.0	-48.52	388.64	4.34	-44.18
CC(C)OC1=CC(F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241264	0	42	-1.0	-44.45	345.68	4.37	-40.08
CC(C)OC1=CC(F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241264	1	42	-1.0	-44.42	345.76	4.37	-40.05
CC(C)OC1=CC(F)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020241265	0	48	-1.0	-42.29	372.71	5.34	-36.95
CC(C)OC1=CC(F)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020241265	1	48	-1.0	-42.28	372.75	5.34	-36.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2CC2)=C1	REAL300020241266	0	42	-1.0	-48.17	352.38	6.90	-41.27
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2CC2)=C1	REAL300020241266	1	42	-1.0	-48.20	352.32	6.87	-41.33
O=C(NC1=CC=CC(C2CC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241267	0	42	-1.0	-42.43	332.06	6.44	-35.99
O=C(NC1=CC=CC(C2CC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241267	1	42	-1.0	-42.44	332.12	6.46	-35.98
CSCC[C@H](NC(=O)NC1=CC=CC(C2CC2)=C1)C1=N[N-]N=N1	REAL300020241268	0	42	-1.0	-49.96	361.22	5.46	-44.50
CSCC[C@H](NC(=O)NC1=CC=CC(C2CC2)=C1)C1=NN=N[N-]1	REAL300020241268	1	42	-1.0	-49.95	361.28	5.47	-44.48
O=C(NC1=CC=CC(C2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241269	0	45	-1.0	-42.29	345.76	6.57	-35.72
O=C(NC1=CC=CC(C2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241269	1	45	-1.0	-42.29	345.79	6.56	-35.73
O=C(NC1=CC=C2CNS(=O)(=O)C2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241270	0	41	-1.0	-50.06	361.27	0.25	-49.81
O=C(NC1=CC=C2CNS(=O)(=O)C2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241270	1	41	-1.0	-50.08	361.21	0.23	-49.85
O=C(NC1=CC=C2CNS(=O)(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241271	0	41	-1.0	-49.78	342.53	-0.31	-50.09
O=C(NC1=CC=C2CNS(=O)(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241271	1	41	-1.0	-49.84	342.59	-0.29	-50.13
O=C(NC1=CC=C2CNS(=O)(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241272	0	38	-1.0	-57.51	326.93	-1.18	-58.69
O=C(NC1=CC=C2CNS(=O)(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241272	1	38	-1.0	-57.51	326.99	-1.16	-58.67
CSCC[C@H](NC(=O)NC1=CC=C2CNS(=O)(=O)C2=C1)C1=N[N-]N=N1	REAL300020241273	0	41	-1.0	-51.65	370.71	-1.25	-52.90
CSCC[C@H](NC(=O)NC1=CC=C2CNS(=O)(=O)C2=C1)C1=NN=N[N-]1	REAL300020241273	1	41	-1.0	-51.70	370.77	-1.24	-52.94
O=C(NC1=CC=C2CNS(=O)(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241274	0	38	-1.0	-49.81	328.27	-1.13	-50.94
O=C(NC1=CC=C2CNS(=O)(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241274	1	38	-1.0	-49.82	328.35	-1.12	-50.94
O=C(NC1=CC=C2CNS(=O)(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241275	0	44	-1.0	-51.49	355.03	-0.13	-51.62
O=C(NC1=CC=C2CNS(=O)(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241275	1	44	-1.0	-51.45	355.07	-0.12	-51.57
N#CC1=CN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)N=C1	REAL300020241276	0	43	-1.0	-61.02	382.86	6.42	-54.60
N#CC1=CN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)N=C1	REAL300020241276	1	43	-1.0	-60.99	382.81	6.40	-54.59
N#CC1=CN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)N=C1	REAL300020241277	0	43	-1.0	-49.91	363.88	5.96	-43.95
N#CC1=CN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)N=C1	REAL300020241277	1	43	-1.0	-49.89	363.82	5.95	-43.94
N#CC1=CN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)N=C1	REAL300020241278	0	40	-1.0	-55.12	348.11	5.07	-50.05
N#CC1=CN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)N=C1	REAL300020241278	1	40	-1.0	-55.12	348.05	5.06	-50.06
CSCC[C@H](NC(=O)NC1=CC=C(N2C=C(C#N)C=N2)C=C1)C1=NN=N[N-]1	REAL300020241279	0	43	-1.0	-54.86	391.91	5.00	-49.86
CSCC[C@H](NC(=O)NC1=CC=C(N2C=C(C#N)C=N2)C=C1)C1=N[N-]N=N1	REAL300020241279	1	43	-1.0	-54.88	391.86	4.99	-49.89
N#CC1=CN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020241280	0	40	-1.0	-50.44	349.75	5.09	-45.35
N#CC1=CN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)N=C1	REAL300020241280	1	40	-1.0	-50.43	349.68	5.09	-45.34
N#CC1=CN(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)N=C1	REAL300020241281	0	46	-1.0	-49.51	369.23	6.92	-42.59
N#CC1=CN(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)N=C1	REAL300020241281	1	46	-1.0	-49.52	369.19	6.90	-42.62
COCC1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020241282	0	40	-1.0	-44.39	348.47	1.72	-42.67
COCC1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020241282	1	40	-1.0	-44.35	348.41	1.69	-42.66
COCC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020241283	0	40	-1.0	-46.40	329.26	1.23	-45.17
COCC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020241283	1	40	-1.0	-46.37	329.31	1.25	-45.12
COCC1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020241284	0	37	-1.0	-55.82	313.73	0.35	-55.47
COCC1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020241284	1	37	-1.0	-55.83	313.79	0.38	-55.45
COCC1=NC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020241285	0	40	-1.0	-49.87	357.45	0.29	-49.58
COCC1=NC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020241285	1	40	-1.0	-49.95	357.51	0.30	-49.65
COCC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020241286	0	37	-1.0	-46.62	315.30	0.35	-46.27
COCC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020241286	1	37	-1.0	-46.63	315.38	0.37	-46.26
COCC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020241287	0	43	-1.0	-40.63	342.15	1.39	-39.24
COCC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020241287	1	43	-1.0	-40.66	342.19	1.39	-39.27
CC1(C)OC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)OC1(C)C	REAL300020241288	0	53	-1.0	-56.52	406.65	5.43	-51.09
CC1(C)OC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)OC1(C)C	REAL300020241288	1	53	-1.0	-56.51	406.71	5.45	-51.06
CC1(C)OC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)OC1(C)C	REAL300020241289	0	53	-1.0	-46.06	408.76	5.46	-40.60
CC1(C)OC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)OC1(C)C	REAL300020241289	1	53	-1.0	-46.09	408.83	5.48	-40.61
CC1=CN(C(F)F)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241290	0	38	-1.0	-48.85	341.31	4.58	-44.27
CC1=CN(C(F)F)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241290	1	38	-1.0	-48.87	341.25	4.56	-44.31
CC1=CN(C(F)F)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241291	0	38	-1.0	-50.82	322.14	4.10	-46.72
CC1=CN(C(F)F)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241291	1	38	-1.0	-50.79	322.08	4.09	-46.70
CC1=CN(C(F)F)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241292	0	35	-1.0	-62.29	306.68	3.18	-59.11
CC1=CN(C(F)F)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241292	1	35	-1.0	-62.32	306.62	3.17	-59.15
CSCC[C@H](NC(=O)NC1=NN(C(F)F)C=C1C)C1=NN=N[N-]1	REAL300020241293	0	38	-1.0	-55.69	350.29	3.16	-52.53
CSCC[C@H](NC(=O)NC1=NN(C(F)F)C=C1C)C1=N[N-]N=N1	REAL300020241293	1	38	-1.0	-55.71	350.23	3.14	-52.57
CC1=CN(C(F)F)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241294	0	35	-1.0	-51.73	308.14	3.24	-48.49
CC1=CN(C(F)F)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241294	1	35	-1.0	-51.76	308.07	3.23	-48.53
CC1=CN(C(F)F)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241295	0	41	-1.0	-59.55	330.35	4.97	-54.58
CC1=CN(C(F)F)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241295	1	41	-1.0	-59.51	330.30	4.96	-54.55
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241296	0	41	-1.0	-55.79	362.95	4.16	-51.63
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241296	1	41	-1.0	-55.76	362.89	4.13	-51.63
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241297	0	41	-1.0	-49.20	343.75	3.69	-45.51
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241297	1	41	-1.0	-49.13	343.69	3.67	-45.46
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241298	0	38	-1.0	-59.94	328.31	2.78	-57.16
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241298	1	38	-1.0	-59.93	328.25	2.75	-57.18
CSCC[C@H](NC(=O)NC1=CN(C2=CC=NC(F)=C2)N=C1)C1=NN=N[N-]1	REAL300020241299	0	41	-1.0	-52.66	371.91	2.72	-49.94
CSCC[C@H](NC(=O)NC1=CN(C2=CC=NC(F)=C2)N=C1)C1=N[N-]N=N1	REAL300020241299	1	41	-1.0	-52.68	371.85	2.71	-49.97
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241300	0	38	-1.0	-50.39	329.78	2.80	-47.59
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241300	1	38	-1.0	-50.42	329.71	2.79	-47.63
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241301	0	44	-1.0	-55.16	352.35	4.57	-50.59
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241301	1	44	-1.0	-55.17	352.30	4.56	-50.61
CCOC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OCC)=C1	REAL300020241302	0	49	-1.0	-47.62	405.53	5.30	-42.32
CCOC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OCC)=C1	REAL300020241302	1	49	-1.0	-47.59	405.48	5.27	-42.32
CCOC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OCC)=C1	REAL300020241303	0	49	-1.0	-46.71	386.74	4.74	-41.97
CCOC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OCC)=C1	REAL300020241303	1	49	-1.0	-46.74	386.79	4.75	-41.99
CCOC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(OCC)=C1	REAL300020241304	0	46	-1.0	-56.69	371.47	3.81	-52.88
CCOC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(OCC)=C1	REAL300020241304	1	46	-1.0	-56.65	371.53	3.84	-52.81
CCOC1=CC(OCC)=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020241305	0	49	-1.0	-49.47	414.99	3.78	-45.69
CCOC1=CC(OCC)=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020241305	1	49	-1.0	-49.48	415.05	3.80	-45.68
CCOC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OCC)=C1	REAL300020241306	0	46	-1.0	-47.05	372.82	3.88	-43.17
CCOC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OCC)=C1	REAL300020241306	1	46	-1.0	-47.06	372.90	3.89	-43.17
CCOC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OCC)=C1	REAL300020241307	0	52	-1.0	-52.84	394.84	5.63	-47.21
CCOC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OCC)=C1	REAL300020241307	1	52	-1.0	-52.84	394.90	5.65	-47.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C2C(=C1)CCCS2(=O)=O	REAL300020241308	0	45	-1.0	-70.09	384.32	3.30	-66.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C2C(=C1)CCCS2(=O)=O	REAL300020241308	1	45	-1.0	-70.06	384.38	3.33	-66.73
O=C(NC1=CC=C2C(=C1)CCCS2(=O)=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241309	0	45	-1.0	-54.14	365.11	2.84	-51.30
O=C(NC1=CC=C2C(=C1)CCCS2(=O)=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241309	1	45	-1.0	-54.15	365.16	2.86	-51.29
O=C(NC1=CC=C2C(=C1)CCCS2(=O)=O)N1CCCC1C1=N[N-]N=N1	REAL300020241310	0	42	-1.0	-65.86	350.03	1.92	-63.94
O=C(NC1=CC=C2C(=C1)CCCS2(=O)=O)N1CCCC1C1=NN=N[N-]1	REAL300020241310	1	42	-1.0	-65.82	350.09	1.93	-63.89
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CCCS2(=O)=O)C1=N[N-]N=N1	REAL300020241311	0	45	-1.0	-58.36	393.25	1.88	-56.48
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)CCCS2(=O)=O)C1=NN=N[N-]1	REAL300020241311	1	45	-1.0	-58.33	393.31	1.90	-56.43
O=C(NC1=CC=C2C(=C1)CCCS2(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241312	0	42	-1.0	-56.68	351.08	1.99	-54.69
O=C(NC1=CC=C2C(=C1)CCCS2(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241312	1	42	-1.0	-56.69	351.15	2.00	-54.69
O=C(NC1=CC=C2C(=C1)CCCS2(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241313	0	48	-1.0	-51.08	377.83	3.00	-48.08
O=C(NC1=CC=C2C(=C1)CCCS2(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241313	1	48	-1.0	-51.06	377.91	3.00	-48.06
CC1=CSC(SC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)N=C2)=N1	REAL300020241314	0	41	-1.0	-59.91	373.17	4.89	-55.02
CC1=CSC(SC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)N=C2)=N1	REAL300020241314	1	41	-1.0	-59.90	373.11	4.87	-55.03
CC1=CSC(SC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2)=N1	REAL300020241315	0	41	-1.0	-49.75	374.71	4.93	-44.82
CC1=CSC(SC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2)=N1	REAL300020241315	1	41	-1.0	-49.75	374.63	4.92	-44.83
O=C(NC1=CC=CC(C=CC(F)(F)F)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241316	0	42	-1.0	-56.21	373.79	7.07	-49.14
O=C(NC1=CC=CC(C=CC(F)(F)F)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241316	1	42	-1.0	-56.20	373.73	7.04	-49.16
O=C(NC1=CC=CC(C=CC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241317	0	42	-1.0	-43.62	353.34	6.64	-36.98
O=C(NC1=CC=CC(C=CC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241317	1	42	-1.0	-43.64	353.40	6.66	-36.98
O=C(NC1=CC=CC(C=CC(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241318	0	39	-1.0	-57.41	338.98	5.71	-51.70
O=C(NC1=CC=CC(C=CC(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241318	1	39	-1.0	-57.41	339.04	5.72	-51.69
CSCC[C@H](NC(=O)NC1=CC=CC(C=CC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020241319	0	42	-1.0	-47.16	382.50	5.67	-41.49
CSCC[C@H](NC(=O)NC1=CC=CC(C=CC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020241319	1	42	-1.0	-47.13	382.56	5.69	-41.44
O=C(NC1=CC=CC(C=CC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241320	0	39	-1.0	-45.29	340.34	5.76	-39.53
O=C(NC1=CC=CC(C=CC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241320	1	39	-1.0	-45.26	340.41	5.77	-39.49
O=C(NC1=CC=CC(C=CC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241321	0	45	-1.0	-47.58	362.63	7.48	-40.10
O=C(NC1=CC=CC(C=CC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241321	1	45	-1.0	-47.55	362.69	7.51	-40.04
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(F)C=C(C(F)(F)F)C=C1F	REAL300020241322	0	38	-1.0	-43.71	352.88	5.94	-37.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(F)C=C(C(F)(F)F)C=C1F	REAL300020241322	1	38	-1.0	-43.69	352.94	5.96	-37.73
O=C(NC1=C(F)C=C(C(F)(F)F)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241323	0	38	-1.0	-42.27	334.09	5.43	-36.84
O=C(NC1=C(F)C=C(C(F)(F)F)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241323	1	38	-1.0	-42.26	334.14	5.45	-36.81
O=C(NC1=C(F)C=C(C(F)(F)F)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020241324	0	35	-1.0	-52.38	324.31	4.63	-47.75
O=C(NC1=C(F)C=C(C(F)(F)F)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020241324	1	35	-1.0	-52.37	324.36	4.65	-47.72
CSCC[C@H](NC(=O)NC1=C(F)C=C(C(F)(F)F)C=C1F)C1=N[N-]N=N1	REAL300020241325	0	38	-1.0	-46.06	367.77	4.61	-41.45
CSCC[C@H](NC(=O)NC1=C(F)C=C(C(F)(F)F)C=C1F)C1=NN=N[N-]1	REAL300020241325	1	38	-1.0	-46.04	367.83	4.63	-41.41
O=C(NC1=C(F)C=C(C(F)(F)F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020241326	0	35	-1.0	-43.14	325.60	4.70	-38.44
O=C(NC1=C(F)C=C(C(F)(F)F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020241326	1	35	-1.0	-43.15	325.67	4.71	-38.44
O=C(NC1=C(F)C=C(C(F)(F)F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020241327	0	41	-1.0	-46.35	342.54	6.33	-40.02
O=C(NC1=C(F)C=C(C(F)(F)F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020241327	1	41	-1.0	-46.35	342.53	6.34	-40.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(C2CCC2)N=C1	REAL300020241328	0	43	-1.0	-42.85	361.77	4.85	-38.00
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(C2CCC2)N=C1	REAL300020241328	1	43	-1.0	-42.80	361.71	4.82	-37.98
O=C(NC1=CN=C(C2CCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241329	0	43	-1.0	-44.53	342.80	4.36	-40.17
O=C(NC1=CN=C(C2CCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241329	1	43	-1.0	-44.58	342.86	4.38	-40.20
O=C(NC1=CN=C(C2CCC2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241330	0	40	-1.0	-52.86	327.23	3.45	-49.41
O=C(NC1=CN=C(C2CCC2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241330	1	40	-1.0	-52.90	327.29	3.46	-49.44
CSCC[C@H](NC(=O)NC1=CN=C(C2CCC2)N=C1)C1=N[N-]N=N1	REAL300020241331	0	43	-1.0	-47.93	370.55	3.44	-44.49
CSCC[C@H](NC(=O)NC1=CN=C(C2CCC2)N=C1)C1=NN=N[N-]1	REAL300020241331	1	43	-1.0	-47.89	370.61	3.46	-44.43
O=C(NC1=CN=C(C2CCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241332	0	40	-1.0	-44.31	328.60	3.49	-40.82
O=C(NC1=CN=C(C2CCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241332	1	40	-1.0	-44.32	328.67	3.50	-40.82
O=C(NC1=CN=C(C2CCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241333	0	46	-1.0	-40.45	355.37	4.53	-35.92
O=C(NC1=CN=C(C2CCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241333	1	46	-1.0	-40.48	355.38	4.52	-35.96
CC(C)C1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020241334	0	44	-1.0	-51.24	376.98	7.32	-43.92
CC(C)C1=CC=C(Cl)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020241334	1	44	-1.0	-51.23	376.92	7.30	-43.93
CC(C)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241335	0	44	-1.0	-42.10	359.38	6.83	-35.27
CC(C)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241335	1	44	-1.0	-42.11	359.43	6.84	-35.27
CC(C)C1=CC=C(Cl)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241336	0	41	-1.0	-53.28	343.67	5.93	-47.35
CC(C)C1=CC=C(Cl)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241336	1	41	-1.0	-53.31	343.73	5.96	-47.35
CSCC[C@H](NC(=O)NC1=CC(C(C)C)=CC=C1Cl)C1=N[N-]N=N1	REAL300020241337	0	44	-1.0	-46.12	386.29	5.88	-40.24
CSCC[C@H](NC(=O)NC1=CC(C(C)C)=CC=C1Cl)C1=NN=N[N-]1	REAL300020241337	1	44	-1.0	-46.09	386.35	5.89	-40.20
CC(C)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241338	0	41	-1.0	-41.84	344.17	5.97	-35.87
CC(C)C1=CC=C(Cl)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241338	1	41	-1.0	-41.84	344.24	5.99	-35.85
CC(C)C1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020241339	0	47	-1.0	-47.94	366.90	7.73	-40.21
CC(C)C1=CC=C(Cl)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020241339	1	47	-1.0	-47.93	366.96	7.73	-40.20
CC(C)C1=CC=C(C(F)(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241340	0	47	-1.0	-41.21	377.20	7.46	-33.75
CC(C)C1=CC=C(C(F)(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241340	1	47	-1.0	-41.22	377.26	7.47	-33.75
CC(C)C1=CC=C(C(F)(F)F)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241341	0	44	-1.0	-52.19	363.58	6.59	-45.60
CC(C)C1=CC=C(C(F)(F)F)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241341	1	44	-1.0	-52.19	363.63	6.62	-45.57
CC(C)C1=CC=C(C(F)(F)F)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241342	0	44	-1.0	-41.76	364.93	6.64	-35.12
CC(C)C1=CC=C(C(F)(F)F)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241342	1	44	-1.0	-41.75	365.00	6.65	-35.10
CC(C)C1=CC=C(C(F)(F)F)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020241343	0	50	-1.0	-47.53	386.15	8.37	-39.16
CC(C)C1=CC=C(C(F)(F)F)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020241343	1	50	-1.0	-47.54	386.20	8.37	-39.17
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C2OCCC2=C1	REAL300020241344	0	39	-1.0	-50.36	333.25	1.62	-48.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C2OCCC2=C1	REAL300020241344	1	39	-1.0	-50.36	333.19	1.59	-48.77
O=C(NC1=CN=C2OCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241345	0	39	-1.0	-49.68	314.89	1.03	-48.65
O=C(NC1=CN=C2OCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241345	1	39	-1.0	-49.67	314.83	1.01	-48.66
O=C(NC1=CN=C2OCCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241346	0	36	-1.0	-54.35	299.39	0.22	-54.13
O=C(NC1=CN=C2OCCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241346	1	36	-1.0	-54.32	299.33	0.20	-54.12
CSCC[C@H](NC(=O)NC1=CN=C2OCCC2=C1)C1=NN=N[N-]1	REAL300020241347	0	39	-1.0	-47.79	343.15	0.14	-47.65
CSCC[C@H](NC(=O)NC1=CN=C2OCCC2=C1)C1=N[N-]N=N1	REAL300020241347	1	39	-1.0	-47.79	343.09	0.13	-47.66
O=C(NC1=CN=C2OCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241348	0	36	-1.0	-45.53	300.79	0.26	-45.27
O=C(NC1=CN=C2OCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241348	1	36	-1.0	-45.52	300.72	0.26	-45.26
O=C(NC1=CN=C2OCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241349	0	42	-1.0	-44.58	327.52	1.25	-43.33
O=C(NC1=CN=C2OCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241349	1	42	-1.0	-44.42	327.67	1.23	-43.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C(F)F)C=N1	REAL300020241350	0	37	-1.0	-60.32	331.66	5.31	-55.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C(F)F)C=N1	REAL300020241350	1	37	-1.0	-60.30	331.60	5.29	-55.01
O=C(NC1=CC=C(C(F)F)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241351	0	37	-1.0	-47.86	312.42	4.84	-43.02
O=C(NC1=CC=C(C(F)F)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241351	1	37	-1.0	-47.81	312.37	4.82	-42.99
O=C(NC1=CC=C(C(F)F)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020241352	0	34	-1.0	-59.60	296.99	3.93	-55.67
O=C(NC1=CC=C(C(F)F)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020241352	1	34	-1.0	-59.57	296.93	3.90	-55.67
CSCC[C@H](NC(=O)NC1=CC=C(C(F)F)C=N1)C1=NN=N[N-]1	REAL300020241353	0	37	-1.0	-50.59	342.57	3.97	-46.62
CSCC[C@H](NC(=O)NC1=CC=C(C(F)F)C=N1)C1=N[N-]N=N1	REAL300020241353	1	37	-1.0	-50.60	342.51	3.96	-46.64
O=C(NC1=CC=C(C(F)F)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241354	0	34	-1.0	-48.10	300.41	4.07	-44.03
O=C(NC1=CC=C(C(F)F)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241354	1	34	-1.0	-48.10	300.34	4.05	-44.05
O=C(NC1=CC=C(C(F)F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241355	0	40	-1.0	-53.72	320.69	5.69	-48.03
O=C(NC1=CC=C(C(F)F)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241355	1	40	-1.0	-53.74	320.64	5.69	-48.05
CCC1=NC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=NO1	REAL300020241356	0	46	-1.0	-65.94	396.95	4.89	-61.05
CCC1=NC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=NO1	REAL300020241356	1	46	-1.0	-65.93	396.89	4.86	-61.07
CCC1=NC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=NO1	REAL300020241357	0	46	-1.0	-51.44	377.73	4.42	-47.02
CCC1=NC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=NO1	REAL300020241357	1	46	-1.0	-51.40	377.67	4.41	-46.99
CCC1=NC(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=NO1	REAL300020241358	0	43	-1.0	-63.12	362.60	3.46	-59.66
CCC1=NC(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=NO1	REAL300020241358	1	43	-1.0	-63.08	362.54	3.45	-59.63
CCC1=NC(C2=CC=CC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C2)=NO1	REAL300020241359	0	46	-1.0	-60.40	406.12	3.43	-56.97
CCC1=NC(C2=CC=CC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C2)=NO1	REAL300020241359	1	46	-1.0	-60.40	406.06	3.42	-56.98
CCC1=NC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=NO1	REAL300020241360	0	43	-1.0	-53.13	363.70	3.55	-49.58
CCC1=NC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=NO1	REAL300020241360	1	43	-1.0	-53.14	363.63	3.53	-49.61
CCC1=NC(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=NO1	REAL300020241361	0	49	-1.0	-47.42	392.33	4.59	-42.83
CCC1=NC(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=NO1	REAL300020241361	1	49	-1.0	-47.41	392.28	4.57	-42.84
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C(=O)NC1CC1	REAL300020241362	0	49	-1.0	-55.72	406.98	5.47	-50.25
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C(=O)NC1CC1	REAL300020241362	1	49	-1.0	-55.71	406.92	5.44	-50.27
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(=O)NC1CC1	REAL300020241363	0	49	-1.0	-45.45	388.31	4.94	-40.51
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(=O)NC1CC1	REAL300020241363	1	49	-1.0	-45.43	388.37	4.96	-40.47
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(=O)NC1CC1	REAL300020241364	0	46	-1.0	-53.54	373.02	4.02	-49.52
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(=O)NC1CC1	REAL300020241364	1	46	-1.0	-53.56	373.08	4.04	-49.52
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C(=O)NC2CC2)=C1)C1=N[N-]N=N1	REAL300020241365	0	49	-1.0	-47.87	416.20	4.00	-43.87
CSCC[C@H](NC(=O)NC1=CC=C(C)C(C(=O)NC2CC2)=C1)C1=NN=N[N-]1	REAL300020241365	1	49	-1.0	-47.83	416.25	4.02	-43.81
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(=O)NC1CC1	REAL300020241366	0	46	-1.0	-45.48	374.35	4.10	-41.38
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(=O)NC1CC1	REAL300020241366	1	46	-1.0	-45.43	374.43	4.11	-41.32
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(=O)NC1CC1	REAL300020241367	0	52	-1.0	-40.46	397.45	5.04	-35.42
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(=O)NC1CC1	REAL300020241367	1	52	-1.0	-40.47	397.49	5.05	-35.42
COC1=CC=C(Cl)C(F)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241368	0	39	-1.0	-59.21	351.23	4.70	-54.51
COC1=CC=C(Cl)C(F)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241368	1	39	-1.0	-59.19	351.17	4.67	-54.52
COC1=CC=C(Cl)C(F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241369	0	39	-1.0	-47.43	332.96	4.20	-43.23
COC1=CC=C(Cl)C(F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241369	1	39	-1.0	-47.44	333.02	4.21	-43.23
COC1=CC=C(Cl)C(F)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241370	0	36	-1.0	-55.91	324.71	3.42	-52.49
COC1=CC=C(Cl)C(F)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241370	1	36	-1.0	-55.91	324.77	3.45	-52.46
COC1=CC=C(Cl)C(F)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020241371	0	39	-1.0	-53.00	368.24	3.39	-49.61
COC1=CC=C(Cl)C(F)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020241371	1	39	-1.0	-53.04	368.30	3.41	-49.63
COC1=CC=C(Cl)C(F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241372	0	36	-1.0	-47.74	326.10	3.46	-44.28
COC1=CC=C(Cl)C(F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241372	1	36	-1.0	-47.74	326.17	3.47	-44.27
COC1=CC=C(Cl)C(F)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241373	0	42	-1.0	-56.23	337.09	5.13	-51.10
COC1=CC=C(Cl)C(F)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241373	1	42	-1.0	-56.24	337.16	5.14	-51.10
CC(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C(F)(F)F	REAL300020241374	0	47	-1.0	-42.31	377.18	6.99	-35.32
CC(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C(F)(F)F	REAL300020241374	1	47	-1.0	-42.34	377.24	7.01	-35.33
CC(C)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020241375	0	44	-1.0	-50.96	361.81	6.10	-44.86
CC(C)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020241375	1	44	-1.0	-50.96	361.87	6.11	-44.85
CC(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020241376	0	44	-1.0	-42.67	363.18	6.15	-36.52
CC(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020241376	1	44	-1.0	-42.65	363.25	6.16	-36.49
CC(C)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020241377	0	50	-1.0	-38.02	389.61	7.19	-30.83
CC(C)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020241377	1	50	-1.0	-37.98	389.65	7.20	-30.78
O=C(NC1=CC=C(C=CC(F)(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241378	0	42	-1.0	-49.08	373.22	7.13	-41.95
O=C(NC1=CC=C(C=CC(F)(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241378	1	42	-1.0	-49.06	373.28	7.15	-41.91
O=C(NC1=CC=C(C=CC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241379	0	42	-1.0	-43.89	353.20	6.63	-37.26
O=C(NC1=CC=C(C=CC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241379	1	42	-1.0	-43.88	353.26	6.65	-37.23
O=C(NC1=CC=C(C=CC(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241380	0	39	-1.0	-52.71	339.20	5.67	-47.04
O=C(NC1=CC=C(C=CC(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241380	1	39	-1.0	-52.73	339.26	5.69	-47.04
CSCC[C@H](NC(=O)NC1=CC=C(C=CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020241381	0	42	-1.0	-48.05	382.75	5.65	-42.40
CSCC[C@H](NC(=O)NC1=CC=C(C=CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020241381	1	42	-1.0	-48.10	382.81	5.66	-42.44
O=C(NC1=CC=C(C=CC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241382	0	39	-1.0	-44.57	340.57	5.73	-38.84
O=C(NC1=CC=C(C=CC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241382	1	39	-1.0	-44.57	340.65	5.75	-38.82
O=C(NC1=CC=C(C=CC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241383	0	45	-1.0	-48.23	362.50	7.52	-40.71
O=C(NC1=CC=C(C=CC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241383	1	45	-1.0	-48.25	362.55	7.53	-40.72
C=C(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C(F)(F)F	REAL300020241384	0	45	-1.0	-42.52	372.27	6.94	-35.58
C=C(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C(F)(F)F	REAL300020241384	1	45	-1.0	-42.51	372.33	6.95	-35.56
C=C(C)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020241385	0	42	-1.0	-52.02	356.97	6.02	-46.00
C=C(C)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020241385	1	42	-1.0	-51.99	357.03	6.03	-45.96
C=C(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020241386	0	42	-1.0	-43.68	358.34	6.08	-37.60
C=C(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020241386	1	42	-1.0	-43.72	358.41	6.09	-37.63
C=C(C)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020241387	0	48	-1.0	-38.62	384.17	7.10	-31.52
C=C(C)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020241387	1	48	-1.0	-38.65	384.21	7.11	-31.54
CCCC1=NN(C)C(C(N)=O)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241388	0	48	-1.0	-48.65	406.42	1.51	-47.14
CCCC1=NN(C)C(C(N)=O)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241388	1	48	-1.0	-48.61	406.36	1.49	-47.12
CCCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241389	0	48	-1.0	-45.30	390.93	0.98	-44.32
CCCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241389	1	48	-1.0	-45.28	390.98	0.99	-44.29
CCCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241390	0	45	-1.0	-56.83	370.30	0.08	-56.75
CCCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241390	1	45	-1.0	-56.85	370.36	0.10	-56.75
CCCC1=NN(C)C(C(N)=O)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020241391	0	48	-1.0	-45.86	414.86	0.10	-45.76
CCCC1=NN(C)C(C(N)=O)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020241391	1	48	-1.0	-45.81	414.92	0.11	-45.70
CCCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241392	0	45	-1.0	-45.58	373.14	0.23	-45.35
CCCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241392	1	45	-1.0	-45.60	373.22	0.24	-45.36
CCCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241393	0	51	-1.0	-46.23	393.42	2.09	-44.14
CCCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241393	1	51	-1.0	-46.28	393.42	2.10	-44.18
CCC1=NN(C)C(C(N)=O)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241394	0	45	-1.0	-49.55	384.94	0.73	-48.82
CCC1=NN(C)C(C(N)=O)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241394	1	45	-1.0	-49.53	384.88	0.71	-48.82
CCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241395	0	45	-1.0	-45.42	369.43	0.19	-45.23
CCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241395	1	45	-1.0	-45.35	369.49	0.20	-45.15
CCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241396	0	42	-1.0	-51.55	351.43	-0.74	-52.29
CCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241396	1	42	-1.0	-51.57	351.49	-0.73	-52.30
CCC1=NN(C)C(C(N)=O)=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020241397	0	45	-1.0	-46.05	393.37	-0.68	-46.73
CCC1=NN(C)C(C(N)=O)=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020241397	1	45	-1.0	-46.02	393.43	-0.66	-46.68
CCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241398	0	42	-1.0	-45.76	351.64	-0.55	-46.31
CCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241398	1	42	-1.0	-45.77	351.72	-0.54	-46.31
CCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241399	0	48	-1.0	-54.61	367.93	0.73	-53.88
CCC1=NN(C)C(C(N)=O)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241399	1	48	-1.0	-54.64	368.00	0.73	-53.91
COC1=CC2=NC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC(C)=C2C=C1	REAL300020241400	0	47	-1.0	-73.08	392.95	6.49	-66.59
COC1=CC2=NC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC(C)=C2C=C1	REAL300020241400	1	47	-1.0	-73.10	392.90	6.47	-66.63
COC1=CC2=NC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC(C)=C2C=C1	REAL300020241401	0	47	-1.0	-47.71	371.08	5.37	-42.34
COC1=CC2=NC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC(C)=C2C=C1	REAL300020241401	1	47	-1.0	-47.76	371.14	5.39	-42.37
COC1=CC2=NC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC(C)=C2C=C1	REAL300020241402	0	44	-1.0	-72.08	358.38	5.08	-67.00
COC1=CC2=NC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC(C)=C2C=C1	REAL300020241402	1	44	-1.0	-72.08	358.44	5.10	-66.98
COC1=CC2=NC(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC(C)=C2C=C1	REAL300020241403	0	47	-1.0	-62.74	401.90	5.05	-57.69
COC1=CC2=NC(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC(C)=C2C=C1	REAL300020241403	1	47	-1.0	-62.76	401.96	5.07	-57.69
COC1=CC2=NC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC(C)=C2C=C1	REAL300020241404	0	44	-1.0	-58.12	359.73	5.14	-52.98
COC1=CC2=NC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC(C)=C2C=C1	REAL300020241404	1	44	-1.0	-58.11	359.80	5.15	-52.96
COC1=CC2=NC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC(C)=C2C=C1	REAL300020241405	0	50	-1.0	-55.19	386.49	6.05	-49.14
COC1=CC2=NC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC(C)=C2C=C1	REAL300020241405	1	50	-1.0	-55.21	386.54	6.05	-49.16
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(Cl)C=C1Br	REAL300020241406	0	38	-1.0	-39.78	338.67	6.10	-33.68
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(Cl)C=C1Br	REAL300020241406	1	38	-1.0	-39.79	338.73	6.11	-33.68
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C(Cl)C=C1Br	REAL300020241407	0	35	-1.0	-48.40	322.91	5.21	-43.19
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C(Cl)C=C1Br	REAL300020241407	1	35	-1.0	-48.39	322.97	5.22	-43.17
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Cl)C=C1Br	REAL300020241408	0	35	-1.0	-39.65	324.32	5.26	-34.39
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Cl)C=C1Br	REAL300020241408	1	35	-1.0	-39.66	324.39	5.26	-34.40
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1S(C)(=O)=O	REAL300020241409	0	44	-1.0	-58.25	371.60	3.17	-55.08
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1S(C)(=O)=O	REAL300020241409	1	44	-1.0	-58.20	371.55	3.15	-55.05
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1S(C)(=O)=O	REAL300020241410	0	44	-1.0	-50.04	351.72	2.60	-47.44
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1S(C)(=O)=O	REAL300020241410	1	44	-1.0	-49.97	351.78	2.62	-47.35
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1S(C)(=O)=O	REAL300020241411	0	41	-1.0	-62.11	337.08	1.73	-60.38
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1S(C)(=O)=O	REAL300020241411	1	41	-1.0	-62.10	337.14	1.74	-60.36
CSCC[C@H](NC(=O)NC1=CC=CC(S(C)(=O)=O)=C1C)C1=N[N-]N=N1	REAL300020241412	0	44	-1.0	-54.95	379.86	1.66	-53.29
CSCC[C@H](NC(=O)NC1=CC=CC(S(C)(=O)=O)=C1C)C1=NN=N[N-]1	REAL300020241412	1	44	-1.0	-54.95	379.92	1.67	-53.28
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1S(C)(=O)=O	REAL300020241413	0	41	-1.0	-52.12	338.96	1.81	-50.31
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1S(C)(=O)=O	REAL300020241413	1	41	-1.0	-52.13	339.04	1.81	-50.32
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1S(C)(=O)=O	REAL300020241414	0	47	-1.0	-40.84	360.49	2.72	-38.12
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1S(C)(=O)=O	REAL300020241414	1	47	-1.0	-40.87	360.50	2.73	-38.14
O=C(NC1=NN(C2CC2)C=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241415	0	38	-1.0	-54.86	332.42	7.34	-47.52
O=C(NC1=NN(C2CC2)C=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241415	1	38	-1.0	-54.85	332.36	7.31	-47.54
O=C(NC1=NN(C2CC2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241416	0	38	-1.0	-50.16	313.24	6.85	-43.31
O=C(NC1=NN(C2CC2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241416	1	38	-1.0	-50.19	313.18	6.83	-43.36
CSCC[C@H](NC(=O)NC1=NN(C2CC2)C=N1)C1=NN=N[N-]1	REAL300020241417	0	38	-1.0	-53.13	341.38	5.91	-47.22
CSCC[C@H](NC(=O)NC1=NN(C2CC2)C=N1)C1=N[N-]N=N1	REAL300020241417	1	38	-1.0	-53.11	341.33	5.90	-47.21
O=C(NC1=NN(C2CC2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241418	0	41	-1.0	-55.62	321.69	7.72	-47.90
O=C(NC1=NN(C2CC2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241418	1	41	-1.0	-55.59	321.64	7.70	-47.89
CCCN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020241419	0	41	-1.0	-44.01	348.17	5.16	-38.85
CCCN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020241419	1	41	-1.0	-44.01	348.11	5.13	-38.88
CCCN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020241420	0	41	-1.0	-45.91	329.00	4.69	-41.22
CCCN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020241420	1	41	-1.0	-45.87	328.94	4.67	-41.20
CCCN1C=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020241421	0	41	-1.0	-48.36	357.14	3.74	-44.62
CCCN1C=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020241421	1	41	-1.0	-48.40	357.08	3.73	-44.67
CCCN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020241422	0	44	-1.0	-50.16	336.93	5.56	-44.60
CCCN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020241422	1	44	-1.0	-50.14	336.89	5.55	-44.59
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241423	0	47	-1.0	-45.01	378.33	7.45	-37.56
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241423	1	47	-1.0	-45.03	378.39	7.46	-37.57
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241424	0	44	-1.0	-57.32	362.95	6.51	-50.81
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241424	1	44	-1.0	-57.32	363.01	6.53	-50.79
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241425	0	44	-1.0	-45.20	364.37	6.58	-38.62
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241425	1	44	-1.0	-45.24	364.45	6.59	-38.65
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241426	0	50	-1.0	-50.76	387.98	8.33	-42.43
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241426	1	50	-1.0	-50.80	388.04	8.33	-42.47
CCSC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020241427	0	42	-1.0	-58.20	379.92	7.04	-51.16
CCSC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020241427	1	42	-1.0	-58.22	379.98	7.07	-51.15
CCSC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020241428	0	42	-1.0	-46.25	360.72	6.59	-39.66
CCSC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020241428	1	42	-1.0	-46.29	360.77	6.61	-39.68
CCSC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020241429	0	39	-1.0	-58.51	345.14	5.70	-52.81
CCSC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020241429	1	39	-1.0	-58.51	345.20	5.72	-52.79
CCSC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020241430	0	42	-1.0	-44.47	388.68	5.67	-38.80
CCSC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020241430	1	42	-1.0	-44.47	388.74	5.68	-38.79
CCSC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020241431	0	39	-1.0	-46.67	346.55	5.76	-40.91
CCSC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020241431	1	39	-1.0	-46.66	346.62	5.77	-40.89
CCSC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020241432	0	45	-1.0	-40.24	375.20	6.78	-33.46
CCSC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020241432	1	45	-1.0	-40.31	375.25	6.80	-33.51
CC(C)C1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1F	REAL300020241433	0	44	-1.0	-52.96	368.41	6.73	-46.23
CC(C)C1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1F	REAL300020241433	1	44	-1.0	-52.90	368.35	6.71	-46.19
CC(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020241434	0	44	-1.0	-42.47	349.48	6.21	-36.26
CC(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020241434	1	44	-1.0	-42.48	349.54	6.23	-36.25
CC(C)C1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020241435	0	41	-1.0	-51.15	334.05	5.32	-45.83
CC(C)C1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020241435	1	41	-1.0	-51.12	334.11	5.33	-45.79
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C(C)C)=C1)C1=N[N-]N=N1	REAL300020241436	0	44	-1.0	-46.56	377.53	5.27	-41.29
CSCC[C@H](NC(=O)NC1=CC=C(F)C(C(C)C)=C1)C1=NN=N[N-]1	REAL300020241436	1	44	-1.0	-46.52	377.59	5.29	-41.23
CC(C)C1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020241437	0	41	-1.0	-42.88	335.39	5.37	-37.51
CC(C)C1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020241437	1	41	-1.0	-42.94	335.46	5.38	-37.56
CC(C)C1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020241438	0	47	-1.0	-38.87	361.81	6.41	-32.46
CC(C)C1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020241438	1	47	-1.0	-38.89	361.85	6.42	-32.47
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020241439	0	47	-1.0	-55.81	390.89	6.47	-49.34
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020241439	1	47	-1.0	-55.84	390.95	6.48	-49.36
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020241440	0	47	-1.0	-47.79	392.26	6.52	-41.27
CC(C)(C)OC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020241440	1	47	-1.0	-47.78	392.33	6.53	-41.25
O=C(NC1=CC=NC(SCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241441	0	48	-1.0	-43.39	403.88	7.59	-35.80
O=C(NC1=CC=NC(SCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241441	1	48	-1.0	-43.36	403.82	7.58	-35.78
O=C(NC1=CC=NC(SCC2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241442	0	45	-1.0	-56.67	388.60	6.70	-49.97
O=C(NC1=CC=NC(SCC2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241442	1	45	-1.0	-56.67	388.55	6.68	-49.99
O=C(NC1=CC=NC(SCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241443	0	45	-1.0	-47.43	389.98	6.75	-40.68
O=C(NC1=CC=NC(SCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241443	1	45	-1.0	-47.47	389.91	6.74	-40.73
CC(C)OC1=CC(Cl)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020241444	0	45	-1.0	-41.89	389.15	6.14	-35.75
CC(C)OC1=CC(Cl)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020241444	1	45	-1.0	-41.91	389.21	6.16	-35.75
CC(C)OC1=CC(Cl)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241445	0	45	-1.0	-43.42	370.12	5.63	-37.79
CC(C)OC1=CC(Cl)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241445	1	45	-1.0	-43.44	370.17	5.65	-37.79
CC(C)OC1=CC(Cl)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241446	0	42	-1.0	-54.76	355.38	4.80	-49.96
CC(C)OC1=CC(Cl)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241446	1	42	-1.0	-54.76	355.44	4.82	-49.94
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC(OC(C)C)=C1)C1=N[N-]N=N1	REAL300020241447	0	45	-1.0	-48.87	398.90	4.77	-44.10
CSCC[C@H](NC(=O)NC1=CC(Cl)=CC(OC(C)C)=C1)C1=NN=N[N-]1	REAL300020241447	1	45	-1.0	-48.83	398.96	4.78	-44.05
CC(C)OC1=CC(Cl)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241448	0	42	-1.0	-44.54	355.99	4.83	-39.71
CC(C)OC1=CC(Cl)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241448	1	42	-1.0	-44.54	356.07	4.83	-39.71
CC(C)OC1=CC(Cl)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020241449	0	48	-1.0	-41.53	383.15	5.79	-35.74
CC(C)OC1=CC(Cl)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020241449	1	48	-1.0	-41.49	383.19	5.82	-35.67
N#CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC1CCCC1	REAL300020241450	0	50	-1.0	-44.35	396.31	6.90	-37.45
N#CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC1CCCC1	REAL300020241450	1	50	-1.0	-44.33	396.36	6.92	-37.41
N#CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC1CCCC1	REAL300020241451	0	47	-1.0	-58.85	383.12	5.99	-52.86
N#CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC1CCCC1	REAL300020241451	1	47	-1.0	-58.88	383.18	6.00	-52.88
N#CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC1CCCC1	REAL300020241452	0	47	-1.0	-50.78	384.48	6.04	-44.74
N#CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC1CCCC1	REAL300020241452	1	47	-1.0	-50.82	384.56	6.05	-44.77
N#CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC1CCCC1	REAL300020241453	0	53	-1.0	-41.74	414.27	7.08	-34.66
N#CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC1CCCC1	REAL300020241453	1	53	-1.0	-41.75	414.33	7.10	-34.65
CC1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020241454	0	37	-1.0	-53.27	333.67	4.07	-49.20
CC1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020241454	1	37	-1.0	-53.29	333.61	4.05	-49.24
CC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020241455	0	37	-1.0	-43.26	314.87	3.57	-39.69
CC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020241455	1	37	-1.0	-43.30	314.92	3.58	-39.72
CC1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020241456	0	34	-1.0	-51.42	299.35	2.66	-48.76
CC1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020241456	1	34	-1.0	-51.40	299.41	2.67	-48.73
CSCC[C@H](NC(=O)NC1=CN=C(C)C(Cl)=C1)C1=N[N-]N=N1	REAL300020241457	0	37	-1.0	-45.26	342.64	2.64	-42.62
CSCC[C@H](NC(=O)NC1=CN=C(C)C(Cl)=C1)C1=NN=N[N-]1	REAL300020241457	1	37	-1.0	-45.28	342.70	2.66	-42.62
CC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020241458	0	34	-1.0	-43.32	300.45	2.73	-40.59
CC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020241458	1	34	-1.0	-43.27	300.53	2.74	-40.53
CC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020241459	0	40	-1.0	-47.66	322.62	4.46	-43.20
CC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020241459	1	40	-1.0	-47.66	322.67	4.46	-43.20
COC(=O)CN1C=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300020241460	0	48	-1.0	-51.99	393.97	7.23	-44.76
COC(=O)CN1C=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300020241460	1	48	-1.0	-52.07	394.03	7.25	-44.82
COC(=O)CN1C=CC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020241461	0	45	-1.0	-61.82	378.53	6.31	-55.51
COC(=O)CN1C=CC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020241461	1	45	-1.0	-61.85	378.59	6.33	-55.52
COC(=O)CN1C=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020241462	0	45	-1.0	-53.01	380.06	6.36	-46.65
COC(=O)CN1C=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020241462	1	45	-1.0	-53.08	380.14	6.37	-46.71
COC(=O)CN1C=CC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020241463	0	51	-1.0	-49.65	404.99	7.35	-42.30
COC(=O)CN1C=CC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020241463	1	51	-1.0	-49.68	405.04	7.36	-42.32
CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2CCCC2)=N1	REAL300020241464	0	48	-1.0	-42.25	390.45	5.76	-36.49
CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2CCCC2)=N1	REAL300020241464	1	48	-1.0	-42.25	390.40	5.74	-36.51
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2CCCC2)=N1	REAL300020241465	0	48	-1.0	-43.98	371.20	5.28	-38.70
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2CCCC2)=N1	REAL300020241465	1	48	-1.0	-43.97	371.26	5.29	-38.68
CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C2CCCC2)=N1	REAL300020241466	0	45	-1.0	-52.76	355.76	4.37	-48.39
CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C2CCCC2)=N1	REAL300020241466	1	45	-1.0	-52.78	355.81	4.37	-48.41
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C1CCCC1)C1=N[N-]N=N1	REAL300020241467	0	48	-1.0	-46.28	399.38	4.33	-41.95
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C1CCCC1)C1=NN=N[N-]1	REAL300020241467	1	48	-1.0	-46.31	399.43	4.35	-41.96
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CCCC2)=N1	REAL300020241468	0	45	-1.0	-43.52	357.25	4.41	-39.11
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CCCC2)=N1	REAL300020241468	1	45	-1.0	-43.55	357.33	4.42	-39.13
CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C2CCCC2)=N1	REAL300020241469	0	51	-1.0	-49.44	379.77	6.28	-43.16
CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C2CCCC2)=N1	REAL300020241469	1	51	-1.0	-49.47	379.82	6.28	-43.19
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C1=CC=CC=C1	REAL300020241470	0	49	-1.0	-47.15	392.07	7.38	-39.77
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C1=CC=CC=C1	REAL300020241470	1	49	-1.0	-47.17	392.13	7.39	-39.78
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300020241471	0	46	-1.0	-57.39	377.01	6.42	-50.97
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300020241471	1	46	-1.0	-57.38	377.07	6.44	-50.94
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300020241472	0	49	-1.0	-50.19	420.51	6.37	-43.82
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300020241472	1	49	-1.0	-50.16	420.57	6.38	-43.78
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=CC=CC=C1	REAL300020241473	0	46	-1.0	-48.16	378.10	6.49	-41.67
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=CC=CC=C1	REAL300020241473	1	46	-1.0	-48.20	378.17	6.51	-41.69
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300020241474	0	52	-1.0	-44.32	404.76	7.51	-36.81
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300020241474	1	52	-1.0	-44.34	404.80	7.52	-36.82
CC(C)OC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C(F)(F)F)=C1	REAL300020241475	0	48	-1.0	-43.88	392.44	6.13	-37.75
CC(C)OC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C(F)(F)F)=C1	REAL300020241475	1	48	-1.0	-43.86	392.49	6.15	-37.71
CC(C)OC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020241476	0	45	-1.0	-56.04	377.33	5.29	-50.75
CC(C)OC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020241476	1	45	-1.0	-56.03	377.39	5.30	-50.73
CC(C)OC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020241477	0	45	-1.0	-43.94	378.76	5.34	-38.60
CC(C)OC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020241477	1	45	-1.0	-43.92	378.83	5.34	-38.58
O=C(NC(C1=CC=C(C(F)(F)F)C=C1)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020241478	0	41	-1.0	-48.69	361.73	5.57	-43.12
O=C(NC(C1=CC=C(C(F)(F)F)C=C1)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020241478	1	41	-1.0	-48.71	361.79	5.59	-43.12
O=C(NC(C1=CC=C(C(F)(F)F)C=C1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020241479	0	41	-1.0	-41.28	363.11	5.64	-35.64
O=C(NC(C1=CC=C(C(F)(F)F)C=C1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020241479	1	41	-1.0	-41.23	363.19	5.65	-35.58
O=C(NC1=CC=C2OC(C(F)F)=NC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241480	0	40	-1.0	-45.92	359.54	2.81	-43.11
O=C(NC1=CC=C2OC(C(F)F)=NC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241480	1	40	-1.0	-45.94	359.48	2.78	-43.16
O=C(NC1=CC=C2OC(C(F)F)=NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241481	0	40	-1.0	-45.51	341.08	2.17	-43.34
O=C(NC1=CC=C2OC(C(F)F)=NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241481	1	40	-1.0	-45.54	341.13	2.19	-43.35
O=C(NC1=CC=C2OC(C(F)F)=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241482	0	37	-1.0	-63.00	325.65	1.27	-61.73
O=C(NC1=CC=C2OC(C(F)F)=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241482	1	37	-1.0	-63.03	325.71	1.28	-61.75
CSCC[C@H](NC(=O)NC1=CC=C2OC(C(F)F)=NC2=C1)C1=N[N-]N=N1	REAL300020241483	0	40	-1.0	-48.23	369.18	1.23	-47.00
CSCC[C@H](NC(=O)NC1=CC=C2OC(C(F)F)=NC2=C1)C1=NN=N[N-]1	REAL300020241483	1	40	-1.0	-48.20	369.24	1.24	-46.96
O=C(NC1=CC=C2OC(C(F)F)=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241484	0	37	-1.0	-54.61	326.76	1.36	-53.25
O=C(NC1=CC=C2OC(C(F)F)=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241484	1	37	-1.0	-54.63	326.83	1.38	-53.25
O=C(NC1=CC=C2OC(C(F)F)=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241485	0	43	-1.0	-46.35	353.39	2.35	-44.00
O=C(NC1=CC=C2OC(C(F)F)=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241485	1	43	-1.0	-46.38	353.39	2.36	-44.02
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1S(N)(=O)=O	REAL300020241486	0	44	-1.0	-50.74	366.62	-0.98	-51.72
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1S(N)(=O)=O	REAL300020241486	1	44	-1.0	-50.72	366.68	-0.97	-51.69
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1S(N)(=O)=O	REAL300020241487	0	41	-1.0	-56.96	351.25	-1.87	-58.83
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1S(N)(=O)=O	REAL300020241487	1	41	-1.0	-56.97	351.31	-1.86	-58.83
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1S(N)(=O)=O	REAL300020241488	0	41	-1.0	-49.73	352.62	-1.83	-51.56
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1S(N)(=O)=O	REAL300020241488	1	41	-1.0	-49.75	352.69	-1.82	-51.57
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1S(N)(=O)=O	REAL300020241489	0	47	-1.0	-45.84	380.93	-0.77	-46.61
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1S(N)(=O)=O	REAL300020241489	1	47	-1.0	-45.79	380.98	-0.75	-46.54
COC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020241490	0	41	-1.0	-66.06	358.12	5.42	-60.64
COC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020241490	1	41	-1.0	-66.05	358.06	5.39	-60.66
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241491	0	41	-1.0	-44.86	337.67	4.99	-39.87
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241491	1	41	-1.0	-44.90	337.73	5.01	-39.89
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241492	0	38	-1.0	-68.17	323.31	4.06	-64.11
COC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241492	1	38	-1.0	-68.13	323.36	4.07	-64.06
COC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020241493	0	41	-1.0	-54.33	366.83	4.02	-50.31
COC(=O)C1=CC=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020241493	1	41	-1.0	-54.27	366.89	4.03	-50.24
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241494	0	38	-1.0	-52.71	324.67	4.11	-48.60
COC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241494	1	38	-1.0	-52.71	324.74	4.12	-48.59
COC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020241495	0	44	-1.0	-49.08	346.96	5.84	-43.24
COC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020241495	1	44	-1.0	-49.13	347.01	5.85	-43.28
COC(=O)C1(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)CC1	REAL300020241496	0	48	-1.0	-46.44	401.11	7.44	-39.00
COC(=O)C1(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)CC1	REAL300020241496	1	48	-1.0	-46.45	401.17	7.47	-38.98
COC(=O)C1(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC1	REAL300020241497	0	48	-1.0	-47.53	382.57	6.91	-40.62
COC(=O)C1(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020241497	1	48	-1.0	-47.55	382.62	6.92	-40.63
COC(=O)C1(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020241498	0	45	-1.0	-56.13	366.64	6.02	-50.11
COC(=O)C1(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020241498	1	45	-1.0	-56.11	366.70	6.03	-50.08
COC(=O)C1(C2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2)CC1	REAL300020241499	0	48	-1.0	-49.71	410.59	5.95	-43.76
COC(=O)C1(C2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2)CC1	REAL300020241499	1	48	-1.0	-49.73	410.65	5.97	-43.76
COC(=O)C1(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300020241500	0	45	-1.0	-48.04	368.44	6.04	-42.00
COC(=O)C1(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300020241500	1	45	-1.0	-48.05	368.52	6.05	-42.00
COC(=O)C1(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020241501	0	51	-1.0	-51.34	390.37	7.82	-43.52
COC(=O)C1(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020241501	1	51	-1.0	-51.30	390.42	7.82	-43.48
CC(=O)C1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241502	0	40	-1.0	-46.82	341.09	5.83	-40.99
CC(=O)C1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241502	1	40	-1.0	-46.89	341.15	5.84	-41.05
CC(=O)C1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241503	0	37	-1.0	-57.45	326.87	4.92	-52.53
CC(=O)C1=CC=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241503	1	37	-1.0	-57.49	326.93	4.94	-52.55
CC(=O)C1=CC=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241504	0	37	-1.0	-47.06	327.77	4.96	-42.10
CC(=O)C1=CC=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241504	1	37	-1.0	-47.14	327.84	4.98	-42.16
CSC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020241505	0	38	-1.0	-41.63	341.69	4.17	-37.46
CSC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020241505	1	38	-1.0	-41.57	341.63	4.15	-37.42
CSC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020241506	0	38	-1.0	-45.40	322.58	3.64	-41.76
CSC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020241506	1	38	-1.0	-45.38	322.52	3.62	-41.76
CSC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020241507	0	35	-1.0	-51.49	307.20	2.79	-48.70
CSC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020241507	1	35	-1.0	-51.52	307.14	2.77	-48.75
CSCC[C@H](NC(=O)NC1=CC=C(SC)N=C1)C1=NN=N[N-]1	REAL300020241508	0	38	-1.0	-45.99	350.50	2.77	-43.22
CSCC[C@H](NC(=O)NC1=CC=C(SC)N=C1)C1=N[N-]N=N1	REAL300020241508	1	38	-1.0	-46.00	350.45	2.76	-43.24
CSC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020241509	0	35	-1.0	-43.27	308.59	2.84	-40.43
CSC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020241509	1	35	-1.0	-43.27	308.51	2.84	-40.43
CSC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020241510	0	41	-1.0	-39.99	336.97	3.84	-36.15
CSC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020241510	1	41	-1.0	-39.98	336.93	3.82	-36.16
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN=C1C	REAL300020241511	0	40	-1.0	-42.42	336.66	4.19	-38.23
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN=C1C	REAL300020241511	1	40	-1.0	-42.39	336.60	4.16	-38.23
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN=C1C	REAL300020241512	0	40	-1.0	-47.11	317.59	3.62	-43.49
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1C	REAL300020241512	1	40	-1.0	-47.09	317.65	3.64	-43.45
CSCC[C@H](NC(=O)NC1=CN=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300020241513	0	40	-1.0	-46.59	345.82	2.73	-43.86
CSCC[C@H](NC(=O)NC1=CN=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300020241513	1	40	-1.0	-46.62	345.88	2.75	-43.87
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1C	REAL300020241514	0	43	-1.0	-52.79	325.58	4.54	-48.25
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1C	REAL300020241514	1	43	-1.0	-52.78	325.63	4.55	-48.23
CC(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020241515	0	43	-1.0	-41.67	358.30	4.83	-36.84
CC(C)C1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020241515	1	43	-1.0	-41.60	358.25	4.80	-36.80
CC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020241516	0	43	-1.0	-46.76	339.13	4.29	-42.47
CC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020241516	1	43	-1.0	-46.82	339.18	4.30	-42.52
CC(C)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020241517	0	40	-1.0	-51.85	323.75	3.44	-48.41
CC(C)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020241517	1	40	-1.0	-51.90	323.81	3.45	-48.45
CSCC[C@H](NC(=O)NC1=CC=C(C(C)C)N=C1)C1=N[N-]N=N1	REAL300020241518	0	43	-1.0	-45.88	367.06	3.42	-42.46
CSCC[C@H](NC(=O)NC1=CC=C(C(C)C)N=C1)C1=NN=N[N-]1	REAL300020241518	1	43	-1.0	-45.90	367.12	3.44	-42.46
CC(C)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020241519	0	40	-1.0	-43.12	324.92	3.52	-39.60
CC(C)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020241519	1	40	-1.0	-43.12	324.99	3.53	-39.59
CC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020241520	0	46	-1.0	-41.60	353.98	4.50	-37.10
CC(C)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020241520	1	46	-1.0	-41.59	354.03	4.51	-37.08
CC(=O)C1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241521	0	40	-1.0	-44.39	345.14	5.77	-38.62
CC(=O)C1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241521	1	40	-1.0	-44.36	345.08	5.74	-38.62
CC(=O)C1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241522	0	40	-1.0	-43.90	328.29	5.32	-38.58
CC(=O)C1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241522	1	40	-1.0	-43.92	328.34	5.33	-38.59
CC(=O)C1=CC(F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241523	0	37	-1.0	-53.01	309.85	4.26	-48.75
CC(=O)C1=CC(F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241523	1	37	-1.0	-52.99	309.91	4.29	-48.70
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1C(C)=O)C1=N[N-]N=N1	REAL300020241524	0	40	-1.0	-47.66	356.89	4.33	-43.33
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1C(C)=O)C1=NN=N[N-]1	REAL300020241524	1	40	-1.0	-47.64	356.95	4.35	-43.29
CC(=O)C1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241525	0	37	-1.0	-43.61	312.36	4.39	-39.22
CC(=O)C1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241525	1	37	-1.0	-43.63	312.43	4.40	-39.23
CC(=O)C1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241526	0	43	-1.0	-49.62	333.77	6.19	-43.43
CC(=O)C1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241526	1	43	-1.0	-49.59	333.82	6.19	-43.40
CCC(=O)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241527	0	43	-1.0	-46.06	360.94	6.52	-39.54
CCC(=O)C1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241527	1	43	-1.0	-46.03	360.88	6.49	-39.54
CCC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241528	0	43	-1.0	-46.86	342.57	6.02	-40.84
CCC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241528	1	43	-1.0	-46.83	342.62	6.03	-40.80
CCC(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241529	0	40	-1.0	-57.58	325.92	5.07	-52.51
CCC(=O)C1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241529	1	40	-1.0	-57.56	325.98	5.10	-52.46
CCC(=O)C1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020241530	0	43	-1.0	-51.59	370.80	5.07	-46.52
CCC(=O)C1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020241530	1	43	-1.0	-51.59	370.86	5.08	-46.51
CCC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241531	0	40	-1.0	-47.06	328.41	5.21	-41.85
CCC(=O)C1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241531	1	40	-1.0	-47.03	328.48	5.22	-41.81
CCC(=O)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241532	0	46	-1.0	-53.35	349.83	6.99	-46.36
CCC(=O)C1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241532	1	46	-1.0	-53.37	349.89	6.99	-46.38
CC(=O)C1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241533	0	40	-1.0	-58.15	345.01	5.71	-52.44
CC(=O)C1=CC=C(F)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241533	1	40	-1.0	-58.18	344.95	5.68	-52.50
CC(=O)C1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241534	0	40	-1.0	-48.28	328.35	5.36	-42.92
CC(=O)C1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241534	1	40	-1.0	-48.26	328.41	5.37	-42.89
CC(=O)C1=CC=C(F)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241535	0	37	-1.0	-58.76	310.43	4.29	-54.47
CC(=O)C1=CC=C(F)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241535	1	37	-1.0	-58.75	310.49	4.31	-54.44
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1C(C)=O)C1=N[N-]N=N1	REAL300020241536	0	40	-1.0	-53.53	354.80	4.24	-49.29
CSCC[C@H](NC(=O)NC1=CC(F)=CC=C1C(C)=O)C1=NN=N[N-]1	REAL300020241536	1	40	-1.0	-53.54	354.85	4.26	-49.28
CC(=O)C1=CC=C(F)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241537	0	37	-1.0	-48.23	312.88	4.41	-43.82
CC(=O)C1=CC=C(F)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241537	1	37	-1.0	-48.25	312.96	4.42	-43.83
CC(=O)C1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241538	0	43	-1.0	-54.21	334.66	6.13	-48.08
CC(=O)C1=CC=C(F)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241538	1	43	-1.0	-54.25	334.71	6.13	-48.12
CC(C)C1=CN=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020241539	0	43	-1.0	-41.72	358.59	4.87	-36.85
CC(C)C1=CN=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020241539	1	43	-1.0	-41.70	358.53	4.85	-36.85
CC(C)C1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241540	0	43	-1.0	-45.50	339.46	4.35	-41.15
CC(C)C1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241540	1	43	-1.0	-45.43	339.40	4.33	-41.10
CC(C)C1=CN=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241541	0	40	-1.0	-52.55	323.72	3.53	-49.02
CC(C)C1=CN=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241541	1	40	-1.0	-52.58	323.66	3.52	-49.06
CSCC[C@H](NC(=O)NC1=CN=CC(C(C)C)=C1)C1=NN=N[N-]1	REAL300020241542	0	43	-1.0	-46.63	367.40	3.48	-43.15
CSCC[C@H](NC(=O)NC1=CN=CC(C(C)C)=C1)C1=N[N-]N=N1	REAL300020241542	1	43	-1.0	-46.63	367.35	3.47	-43.16
CC(C)C1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241543	0	40	-1.0	-43.36	325.52	3.55	-39.81
CC(C)C1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241543	1	40	-1.0	-43.34	325.44	3.55	-39.79
CC(C)C1=CN=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020241544	0	46	-1.0	-41.90	352.12	4.57	-37.33
CC(C)C1=CN=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020241544	1	46	-1.0	-41.89	352.08	4.57	-37.32
CC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C2C=C1	REAL300020241545	0	46	-1.0	-50.50	382.80	7.79	-42.71
CC(=O)C1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C2C=C1	REAL300020241545	1	46	-1.0	-50.49	382.74	7.76	-42.73
CC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2C=C1	REAL300020241546	0	46	-1.0	-49.67	364.82	7.15	-42.52
CC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2C=C1	REAL300020241546	1	46	-1.0	-49.71	364.88	7.17	-42.54
CC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL300020241547	0	43	-1.0	-60.72	349.09	6.39	-54.33
CC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL300020241547	1	43	-1.0	-60.74	349.15	6.41	-54.33
CSCC[C@H](NC(=O)NC1=C(C(C)=O)C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020241548	0	46	-1.0	-54.93	398.46	7.63	-47.30
CSCC[C@H](NC(=O)NC1=C(C(C)=O)C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020241548	1	46	-1.0	-54.95	398.52	7.64	-47.31
CC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=C1	REAL300020241549	0	43	-1.0	-51.54	350.55	7.27	-44.27
CC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=C1	REAL300020241549	1	43	-1.0	-51.60	350.63	7.28	-44.32
CC(=O)C1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL300020241550	0	49	-1.0	-54.67	370.67	7.03	-47.64
CC(=O)C1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL300020241550	1	49	-1.0	-54.67	370.71	7.03	-47.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(C=C1F)CCNC2=O	REAL300020241551	0	43	-1.0	-67.47	367.36	3.37	-64.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(C=C1F)CCNC2=O	REAL300020241551	1	43	-1.0	-67.49	367.30	3.34	-64.15
O=C(NC1=C(F)C=C2CCNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241552	0	43	-1.0	-52.91	348.15	2.91	-50.00
O=C(NC1=C(F)C=C2CCNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241552	1	43	-1.0	-52.95	348.21	2.92	-50.03
O=C(NC1=C(F)C=C2CCNC(=O)C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241553	0	40	-1.0	-64.79	333.16	1.96	-62.83
O=C(NC1=C(F)C=C2CCNC(=O)C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241553	1	40	-1.0	-64.79	333.22	1.97	-62.82
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1F)CCNC2=O)C1=N[N-]N=N1	REAL300020241554	0	43	-1.0	-61.77	376.69	1.93	-59.84
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1F)CCNC2=O)C1=NN=N[N-]1	REAL300020241554	1	43	-1.0	-61.77	376.75	1.94	-59.83
O=C(NC1=C(F)C=C2CCNC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241555	0	40	-1.0	-55.17	334.52	2.00	-53.17
O=C(NC1=C(F)C=C2CCNC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241555	1	40	-1.0	-55.24	334.60	2.02	-53.22
O=C(NC1=C(F)C=C2CCNC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241556	0	46	-1.0	-59.50	356.64	3.77	-55.73
O=C(NC1=C(F)C=C2CCNC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241556	1	46	-1.0	-59.50	356.69	3.77	-55.73
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=C1	REAL300020241557	0	38	-1.0	-43.46	338.17	6.12	-37.34
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Br)=C1	REAL300020241557	1	38	-1.0	-43.48	338.23	6.13	-37.35
CC1=CC(Cl)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=C1	REAL300020241558	0	35	-1.0	-52.92	330.79	5.63	-47.29
CC1=CC(Cl)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=C1	REAL300020241558	1	35	-1.0	-52.93	330.84	5.65	-47.28
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020241559	0	35	-1.0	-44.08	332.18	5.67	-38.41
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020241559	1	35	-1.0	-44.05	332.25	5.69	-38.36
CC(=O)C1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241560	0	40	-1.0	-43.51	341.61	5.81	-37.70
CC(=O)C1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241560	1	40	-1.0	-43.46	341.66	5.83	-37.63
CC(=O)C1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241561	0	37	-1.0	-52.81	324.73	4.81	-48.00
CC(=O)C1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241561	1	37	-1.0	-52.83	324.78	4.83	-48.00
CC(=O)C1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241562	0	37	-1.0	-43.64	329.34	5.03	-38.61
CC(=O)C1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241562	1	37	-1.0	-43.64	329.41	5.04	-38.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CN=C1C1CC1	REAL300020241563	0	41	-1.0	-52.10	347.39	5.54	-46.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CN=C1C1CC1	REAL300020241563	1	41	-1.0	-52.07	347.33	5.51	-46.56
O=C(NC1=CC=CN=C1C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241564	0	41	-1.0	-43.19	327.16	5.06	-38.13
O=C(NC1=CC=CN=C1C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241564	1	41	-1.0	-43.18	327.22	5.08	-38.10
CSCC[C@H](NC(=O)NC1=CC=CN=C1C1CC1)C1=N[N-]N=N1	REAL300020241565	0	41	-1.0	-45.98	356.67	4.12	-41.86
CSCC[C@H](NC(=O)NC1=CC=CN=C1C1CC1)C1=NN=N[N-]1	REAL300020241565	1	41	-1.0	-46.01	356.73	4.14	-41.87
O=C(NC1=CC=CN=C1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241566	0	44	-1.0	-41.70	337.91	5.19	-36.51
O=C(NC1=CC=CN=C1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241566	1	44	-1.0	-41.69	337.92	5.21	-36.48
CCCOC1=CN=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020241567	0	44	-1.0	-43.52	371.11	3.98	-39.54
CCCOC1=CN=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020241567	1	44	-1.0	-43.48	371.05	3.96	-39.52
CCCOC1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241568	0	44	-1.0	-44.49	351.77	3.55	-40.94
CCCOC1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241568	1	44	-1.0	-44.49	351.71	3.54	-40.95
CCCOC1=CN=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241569	0	41	-1.0	-54.77	336.25	2.64	-52.13
CCCOC1=CN=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241569	1	41	-1.0	-54.73	336.19	2.63	-52.10
CCCOC1=CN=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020241570	0	44	-1.0	-49.40	379.92	2.60	-46.80
CCCOC1=CN=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020241570	1	44	-1.0	-49.44	379.86	2.58	-46.86
CCCOC1=CN=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241571	0	41	-1.0	-45.46	338.04	2.67	-42.79
CCCOC1=CN=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241571	1	41	-1.0	-45.44	337.97	2.66	-42.78
CCCOC1=CN=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020241572	0	47	-1.0	-42.30	364.64	3.68	-38.62
CCCOC1=CN=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020241572	1	47	-1.0	-42.26	364.61	3.68	-38.58
CCC1=NC(C(=O)OC)=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020241573	0	42	-2.0	-89.62	382.54	3.30	-86.32
CCC1=NC(C(=O)OC)=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020241573	1	42	-2.0	-89.64	382.59	3.33	-86.31
CCC1=NC(C(=O)OC)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020241573	1	43	-1.0	-41.74	383.17	4.22	-37.52
CCC1=NC(C(=O)OC)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020241573	1	43	-1.0	-41.71	383.23	4.25	-37.46
CCC1=NC(C(=O)OC)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020241574	0	43	-1.0	-42.91	363.98	3.78	-39.13
CCC1=NC(C(=O)OC)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020241574	1	43	-1.0	-42.95	364.04	3.79	-39.16
CCC1=NC(C(=O)OC)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020241575	0	40	-1.0	-48.96	348.53	2.87	-46.09
CCC1=NC(C(=O)OC)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020241575	1	40	-1.0	-48.90	348.59	2.88	-46.02
CCC1=NC(C(=O)OC)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020241576	0	43	-1.0	-43.81	392.15	2.82	-40.99
CCC1=NC(C(=O)OC)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020241576	1	43	-1.0	-43.81	392.21	2.83	-40.98
CCC1=NC(C(=O)OC)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020241577	0	40	-1.0	-40.90	350.01	2.90	-38.00
CCC1=NC(C(=O)OC)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020241577	1	40	-1.0	-40.90	350.08	2.92	-37.98
CCC1=NC(C(=O)OC)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020241578	0	46	-1.0	-45.30	372.22	4.64	-40.66
CCC1=NC(C(=O)OC)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020241578	1	46	-1.0	-45.34	372.27	4.65	-40.69
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C2CC2)=N1	REAL300020241579	0	47	-1.0	-43.03	395.58	5.61	-37.42
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C2CC2)=N1	REAL300020241579	1	47	-1.0	-43.01	395.64	5.62	-37.39
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)SC(C2CC2)=N1	REAL300020241580	0	44	-1.0	-49.09	380.15	4.70	-44.39
CCOC(=O)C1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)SC(C2CC2)=N1	REAL300020241580	1	44	-1.0	-49.12	380.21	4.72	-44.40
CCOC(=O)C1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2CC2)=N1	REAL300020241581	0	44	-1.0	-40.89	381.61	4.74	-36.15
CCOC(=O)C1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2CC2)=N1	REAL300020241581	1	44	-1.0	-40.90	381.69	4.75	-36.15
CCCCC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020241582	0	49	-1.0	-47.59	402.09	6.88	-40.71
CCCCC1=CC(C)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020241582	1	49	-1.0	-47.62	402.03	6.86	-40.76
CCCCC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020241583	0	49	-1.0	-44.88	381.06	6.28	-38.60
CCCCC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020241583	1	49	-1.0	-44.94	381.11	6.29	-38.65
CCCCC1=CC(C)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020241584	0	46	-1.0	-56.42	366.76	5.40	-51.02
CCCCC1=CC(C)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020241584	1	46	-1.0	-56.45	366.82	5.43	-51.02
CCCCC1=CC(C)=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020241585	0	49	-1.0	-48.75	410.28	5.35	-43.40
CCCCC1=CC(C)=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020241585	1	49	-1.0	-48.76	410.34	5.37	-43.39
CCCCC1=CC(C)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020241586	0	46	-1.0	-46.85	368.09	5.45	-41.40
CCCCC1=CC(C)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020241586	1	46	-1.0	-46.86	368.16	5.46	-41.40
CCCCC1=CC(C)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020241587	0	52	-1.0	-54.86	388.35	7.12	-47.74
CCCCC1=CC(C)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020241587	1	52	-1.0	-54.90	388.39	7.14	-47.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=CC2=C1CCC2	REAL300020241588	0	41	-1.0	-46.26	342.26	4.92	-41.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=CC2=C1CCC2	REAL300020241588	1	41	-1.0	-46.29	342.21	4.90	-41.39
O=C(NC1=CN=CC2=C1CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241589	0	41	-1.0	-45.49	322.60	4.43	-41.06
O=C(NC1=CN=CC2=C1CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241589	1	41	-1.0	-45.57	322.66	4.44	-41.13
CSCC[C@H](NC(=O)NC1=CN=CC2=C1CCC2)C1=N[N-]N=N1	REAL300020241590	0	41	-1.0	-50.92	352.25	3.46	-47.46
CSCC[C@H](NC(=O)NC1=CN=CC2=C1CCC2)C1=NN=N[N-]1	REAL300020241590	1	41	-1.0	-50.94	352.31	3.47	-47.47
O=C(NC1=CN=CC2=C1CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020241591	0	44	-1.0	-43.08	338.03	4.59	-38.49
O=C(NC1=CN=CC2=C1CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020241591	1	44	-1.0	-43.11	338.09	4.61	-38.50
CN(C(=O)OC(C)(C)C)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241592	0	52	-1.0	-53.75	414.14	5.86	-47.89
CN(C(=O)OC(C)(C)C)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241592	1	52	-1.0	-53.84	414.20	5.88	-47.96
CN(C(=O)OC(C)(C)C)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241593	0	52	-1.0	-45.57	415.46	5.92	-39.65
CN(C(=O)OC(C)(C)C)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241593	1	52	-1.0	-45.59	415.53	5.92	-39.67
O=C(NC(C(F)(F)F)C12CC3CC(CC(C3)C1)C2)N1CCCC1C1=N[N-]N=N1	REAL300020241594	0	52	-1.0	-53.53	378.24	6.57	-46.96
O=C(NC(C(F)(F)F)C12CC3CC(CC(C3)C1)C2)N1CCCC1C1=NN=N[N-]1	REAL300020241594	1	52	-1.0	-53.55	378.30	6.59	-46.96
O=C(NC(C(F)(F)F)C12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020241595	0	52	-1.0	-41.67	379.56	6.60	-35.07
O=C(NC(C(F)(F)F)C12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020241595	1	52	-1.0	-41.70	379.64	6.62	-35.08
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241596	0	43	-1.0	-50.22	376.73	3.64	-46.58
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241596	1	43	-1.0	-50.23	376.67	3.62	-46.61
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241597	0	43	-1.0	-51.65	357.48	3.17	-48.48
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241597	1	43	-1.0	-51.66	357.54	3.18	-48.48
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241598	0	40	-1.0	-63.27	342.03	2.25	-61.02
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241598	1	40	-1.0	-63.30	342.08	2.26	-61.04
CSCC[C@H](NC(=O)NC1=CN(CC2=NC=CC=N2)N=C1)C1=N[N-]N=N1	REAL300020241599	0	43	-1.0	-55.94	385.65	2.21	-53.73
CSCC[C@H](NC(=O)NC1=CN(CC2=NC=CC=N2)N=C1)C1=NN=N[N-]1	REAL300020241599	1	43	-1.0	-55.94	385.71	2.23	-53.71
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241600	0	40	-1.0	-52.57	343.51	2.30	-50.27
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241600	1	40	-1.0	-52.59	343.58	2.31	-50.28
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241601	0	46	-1.0	-59.43	365.49	4.05	-55.38
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241601	1	46	-1.0	-59.46	365.54	4.06	-55.40
COC(=O)C1=C(C)C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020241602	0	44	-1.0	-50.28	384.68	6.17	-44.11
COC(=O)C1=C(C)C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020241602	1	44	-1.0	-50.31	384.62	6.15	-44.16
COC(=O)C1=C(C)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020241603	0	44	-1.0	-49.03	365.89	5.62	-43.41
COC(=O)C1=C(C)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020241603	1	44	-1.0	-49.06	365.95	5.64	-43.42
COC(=O)C1=C(C)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020241604	0	41	-1.0	-57.95	350.60	4.71	-53.24
COC(=O)C1=C(C)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020241604	1	41	-1.0	-57.96	350.66	4.72	-53.24
COC(=O)C1=C(C)C=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020241605	0	44	-1.0	-49.51	394.15	4.68	-44.83
COC(=O)C1=C(C)C=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020241605	1	44	-1.0	-49.51	394.21	4.69	-44.82
COC(=O)C1=C(C)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020241606	0	41	-1.0	-44.18	351.73	4.79	-39.39
COC(=O)C1=C(C)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020241606	1	41	-1.0	-44.23	351.81	4.81	-39.42
COC(=O)C1=C(C)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020241607	0	47	-1.0	-40.32	378.23	5.77	-34.55
COC(=O)C1=C(C)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020241607	1	47	-1.0	-40.29	378.27	5.79	-34.50
COC(=O)C1=NC=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300020241608	0	46	-1.0	-46.18	371.28	5.41	-40.77
COC(=O)C1=NC=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300020241608	1	46	-1.0	-46.16	371.22	5.39	-40.77
COC(=O)C1=NC=CC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020241609	0	43	-1.0	-54.44	356.63	4.50	-49.94
COC(=O)C1=NC=CC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020241609	1	43	-1.0	-54.42	356.57	4.48	-49.94
COC(=O)C1=NC=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020241610	0	43	-1.0	-46.53	357.99	4.54	-41.99
COC(=O)C1=NC=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020241610	1	43	-1.0	-46.52	357.92	4.53	-41.99
COC(=O)C1=NC=CC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020241611	0	49	-1.0	-51.41	381.10	6.29	-45.12
COC(=O)C1=NC=CC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020241611	1	49	-1.0	-51.46	381.06	6.29	-45.17
CC(C)(C)OC(=O)NCCN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020241612	0	52	-1.0	-66.00	418.73	1.78	-64.22
CC(C)(C)OC(=O)NCCN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020241612	1	52	-1.0	-65.98	418.67	1.77	-64.21
CC(C)(C)OC(=O)NCCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020241613	0	52	-1.0	-54.72	420.22	1.82	-52.90
CC(C)(C)OC(=O)NCCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020241613	1	52	-1.0	-54.67	420.14	1.81	-52.86
CCSC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241614	0	48	-1.0	-42.71	398.16	6.95	-35.76
CCSC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241614	1	48	-1.0	-42.73	398.21	6.96	-35.77
CCSC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241615	0	45	-1.0	-51.60	382.85	6.03	-45.57
CCSC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241615	1	45	-1.0	-51.62	382.90	6.05	-45.57
CCSC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241616	0	45	-1.0	-42.38	383.31	6.07	-36.31
CCSC1=CC(C(=O)OC)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241616	1	45	-1.0	-42.41	383.38	6.09	-36.32
COCC1=NC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=N1	REAL300020241617	0	43	-1.0	-47.64	367.37	2.60	-45.04
COCC1=NC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=N1	REAL300020241617	1	43	-1.0	-47.63	367.31	2.57	-45.06
COCC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020241618	0	43	-1.0	-45.96	348.25	2.06	-43.90
COCC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020241618	1	43	-1.0	-45.97	348.30	2.07	-43.90
COCC1=NC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020241619	0	40	-1.0	-57.07	331.85	1.13	-55.94
COCC1=NC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020241619	1	40	-1.0	-57.07	331.91	1.15	-55.92
COCC1=NC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020241620	0	43	-1.0	-47.68	375.54	1.07	-46.61
COCC1=NC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020241620	1	43	-1.0	-47.65	375.60	1.08	-46.57
COCC1=NC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020241621	0	40	-1.0	-46.36	333.37	1.17	-45.19
COCC1=NC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020241621	1	40	-1.0	-46.40	333.44	1.19	-45.21
COCC1=NC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020241622	0	46	-1.0	-54.33	355.80	3.02	-51.31
COCC1=NC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020241622	1	46	-1.0	-54.33	355.85	3.03	-51.30
CC1=NC(Br)=C(Cl)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241623	0	34	-1.0	-50.10	317.77	3.38	-46.72
CC1=NC(Br)=C(Cl)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241623	1	34	-1.0	-50.06	317.83	3.41	-46.65
CC1=NC(Br)=C(Cl)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241624	0	34	-1.0	-42.64	319.07	3.43	-39.21
CC1=NC(Br)=C(Cl)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241624	1	34	-1.0	-42.63	319.15	3.44	-39.19
COC(=O)C1=CC(C#N)=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020241625	0	42	-1.0	-50.81	378.48	5.89	-44.92
COC(=O)C1=CC(C#N)=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020241625	1	42	-1.0	-50.80	378.42	5.86	-44.94
COC(=O)C1=CC(C#N)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241626	0	42	-1.0	-45.78	359.68	5.33	-40.45
COC(=O)C1=CC(C#N)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241626	1	42	-1.0	-45.79	359.74	5.34	-40.45
COC(=O)C1=CC(C#N)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241627	0	39	-1.0	-61.24	344.13	4.44	-56.80
COC(=O)C1=CC(C#N)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241627	1	39	-1.0	-61.28	344.19	4.45	-56.83
COC(=O)C1=CC(C#N)=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020241628	0	42	-1.0	-49.13	387.92	4.37	-44.76
COC(=O)C1=CC(C#N)=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020241628	1	42	-1.0	-49.15	387.98	4.39	-44.76
COC(=O)C1=CC(C#N)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241629	0	39	-1.0	-45.83	345.52	4.49	-41.34
COC(=O)C1=CC(C#N)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241629	1	39	-1.0	-45.83	345.59	4.50	-41.33
COC(=O)C1=CC(C#N)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020241630	0	45	-1.0	-41.48	372.08	5.47	-36.01
COC(=O)C1=CC(C#N)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020241630	1	45	-1.0	-41.52	372.12	5.49	-36.03
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(OC2CCC2)=C1	REAL300020241631	0	46	-1.0	-60.63	381.03	6.38	-54.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(OC2CCC2)=C1	REAL300020241631	1	46	-1.0	-60.63	380.97	6.36	-54.27
O=C(NC1=CC=CC(OC2CCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241632	0	46	-1.0	-43.49	362.20	5.85	-37.64
O=C(NC1=CC=CC(OC2CCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241632	1	46	-1.0	-43.50	362.26	5.87	-37.63
O=C(NC1=CC=CC(OC2CCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241633	0	43	-1.0	-58.47	346.00	4.97	-53.50
O=C(NC1=CC=CC(OC2CCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241633	1	43	-1.0	-58.44	346.06	4.99	-53.45
CSCC[C@H](NC(=O)NC1=CC=CC(OC2CCC2)=C1)C1=N[N-]N=N1	REAL300020241634	0	46	-1.0	-54.41	389.93	4.97	-49.44
CSCC[C@H](NC(=O)NC1=CC=CC(OC2CCC2)=C1)C1=NN=N[N-]1	REAL300020241634	1	46	-1.0	-54.43	389.99	4.98	-49.45
O=C(NC1=CC=CC(OC2CCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241635	0	43	-1.0	-48.38	347.77	5.04	-43.34
O=C(NC1=CC=CC(OC2CCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241635	1	43	-1.0	-48.38	347.84	5.06	-43.32
O=C(NC1=CC=CC(OC2CCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241636	0	49	-1.0	-44.16	371.58	5.96	-38.20
O=C(NC1=CC=CC(OC2CCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241636	1	49	-1.0	-44.14	371.61	5.97	-38.17
COC1=CC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C2C=C1	REAL300020241637	0	45	-1.0	-54.85	374.51	6.49	-48.36
COC1=CC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C2C=C1	REAL300020241637	1	45	-1.0	-54.85	374.45	6.46	-48.39
COC1=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C2C=C1	REAL300020241638	0	45	-1.0	-45.57	355.04	5.99	-39.58
COC1=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C2C=C1	REAL300020241638	1	45	-1.0	-45.56	355.10	6.01	-39.55
COC1=CC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C2C=C1	REAL300020241639	0	42	-1.0	-56.41	340.46	5.06	-51.35
COC1=CC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C2C=C1	REAL300020241639	1	42	-1.0	-56.39	340.52	5.09	-51.30
COC1=CC2=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=CC=C2C=C1	REAL300020241640	0	45	-1.0	-49.95	383.98	5.03	-44.92
COC1=CC2=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=CC=C2C=C1	REAL300020241640	1	45	-1.0	-50.00	384.03	5.05	-44.95
COC1=CC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C2C=C1	REAL300020241641	0	42	-1.0	-46.14	342.76	5.15	-40.99
COC1=CC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C2C=C1	REAL300020241641	1	42	-1.0	-46.17	342.84	5.16	-41.01
COC1=CC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2C=C1	REAL300020241642	0	48	-1.0	-52.65	364.78	6.89	-45.76
COC1=CC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2C=C1	REAL300020241642	1	48	-1.0	-52.65	364.84	6.89	-45.76
O=C(NC1=CC=C(OC(F)(F)C(F)(F)F)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020241643	0	38	-1.0	-60.73	344.89	3.89	-56.84
O=C(NC1=CC=C(OC(F)(F)C(F)(F)F)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020241643	1	38	-1.0	-60.71	344.83	3.87	-56.84
O=C(NC1=CC=C(OC(F)(F)C(F)(F)F)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241644	0	38	-1.0	-49.96	346.42	3.95	-46.01
O=C(NC1=CC=C(OC(F)(F)C(F)(F)F)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241644	1	38	-1.0	-49.94	346.34	3.93	-46.01
O=C(NC1=C(C2=CC=C(Cl)C=C2)SC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241645	0	42	-1.0	-41.91	366.26	7.76	-34.15
O=C(NC1=C(C2=CC=C(Cl)C=C2)SC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241645	1	42	-1.0	-41.87	366.32	7.77	-34.10
O=C(NC1=C(C2=CC=C(Cl)C=C2)SC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241646	0	39	-1.0	-53.40	351.69	6.62	-46.78
O=C(NC1=C(C2=CC=C(Cl)C=C2)SC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241646	1	39	-1.0	-53.39	351.75	6.65	-46.74
O=C(NC1=C(C2=CC=C(Cl)C=C2)SC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241647	0	39	-1.0	-44.81	353.04	6.79	-38.02
O=C(NC1=C(C2=CC=C(Cl)C=C2)SC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241647	1	39	-1.0	-44.81	353.12	6.80	-38.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C(C(F)(F)F)C=N1	REAL300020241648	0	36	-1.0	-46.96	333.65	3.67	-43.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C(C(F)(F)F)C=N1	REAL300020241648	1	36	-1.0	-46.98	333.59	3.65	-43.33
O=C(NC1=CN=C(C(F)(F)F)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241649	0	36	-1.0	-41.90	312.70	2.58	-39.32
O=C(NC1=CN=C(C(F)(F)F)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241649	1	36	-1.0	-41.89	312.65	2.57	-39.32
O=C(NC1=CN=C(C(F)(F)F)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020241650	0	33	-1.0	-55.08	299.22	2.25	-52.83
O=C(NC1=CN=C(C(F)(F)F)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020241650	1	33	-1.0	-55.11	299.16	2.24	-52.87
CSCC[C@H](NC(=O)NC1=CN=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300020241651	0	36	-1.0	-48.33	342.90	2.21	-46.12
CSCC[C@H](NC(=O)NC1=CN=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300020241651	1	36	-1.0	-48.30	342.85	2.20	-46.10
O=C(NC1=CN=C(C(F)(F)F)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241652	0	33	-1.0	-46.66	301.50	2.40	-44.26
O=C(NC1=CN=C(C(F)(F)F)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241652	1	33	-1.0	-46.65	301.43	2.39	-44.26
O=C(NC1=CN=C(C(F)(F)F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241653	0	39	-1.0	-50.44	323.31	3.99	-46.45
O=C(NC1=CN=C(C(F)(F)F)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241653	1	39	-1.0	-50.41	323.25	3.98	-46.43
CC1=CC=CC(OCC2=CC=CC=C2)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241654	0	52	-1.0	-45.08	411.13	9.75	-35.33
CC1=CC=CC(OCC2=CC=CC=C2)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241654	1	52	-1.0	-45.08	411.19	9.77	-35.31
CC1=CC=CC(OCC2=CC=CC=C2)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241655	0	49	-1.0	-57.78	403.50	7.69	-50.09
CC1=CC=CC(OCC2=CC=CC=C2)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241655	1	49	-1.0	-57.78	403.56	7.70	-50.08
CC1=CC=CC(OCC2=CC=CC=C2)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241656	0	49	-1.0	-47.77	404.90	7.73	-40.04
CC1=CC=CC(OCC2=CC=CC=C2)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241656	1	49	-1.0	-47.73	404.98	7.74	-39.99
O=C(NC1=CN(C2=NC=CC=C2Cl)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241657	0	41	-1.0	-47.26	371.57	5.89	-41.37
O=C(NC1=CN(C2=NC=CC=C2Cl)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241657	1	41	-1.0	-47.24	371.51	5.87	-41.37
O=C(NC1=CN(C2=NC=CC=C2Cl)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241658	0	41	-1.0	-49.02	352.41	5.44	-43.58
O=C(NC1=CN(C2=NC=CC=C2Cl)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241658	1	41	-1.0	-49.00	352.35	5.42	-43.58
O=C(NC1=CN(C2=NC=CC=C2Cl)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241659	0	38	-1.0	-59.51	336.93	4.52	-54.99
O=C(NC1=CN(C2=NC=CC=C2Cl)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241659	1	38	-1.0	-59.50	336.88	4.50	-55.00
CSCC[C@H](NC(=O)NC1=CN(C2=NC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL300020241660	0	41	-1.0	-52.37	380.55	4.48	-47.89
CSCC[C@H](NC(=O)NC1=CN(C2=NC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL300020241660	1	41	-1.0	-52.37	380.49	4.46	-47.91
O=C(NC1=CN(C2=NC=CC=C2Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241661	0	38	-1.0	-49.02	338.42	4.56	-44.46
O=C(NC1=CN(C2=NC=CC=C2Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241661	1	38	-1.0	-48.99	338.35	4.55	-44.44
O=C(NC1=CN(C2=NC=CC=C2Cl)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241662	0	44	-1.0	-56.25	360.36	6.32	-49.93
O=C(NC1=CN(C2=NC=CC=C2Cl)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241662	1	44	-1.0	-56.28	360.33	6.31	-49.97
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(F)C=C2NC(=O)COC2=C1	REAL300020241663	0	41	-1.0	-54.50	358.52	2.13	-52.37
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(F)C=C2NC(=O)COC2=C1	REAL300020241663	1	41	-1.0	-54.49	358.47	2.10	-52.39
O=C(NC1=C(F)C=C2NC(=O)COC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241664	0	41	-1.0	-45.02	340.89	1.62	-43.40
O=C(NC1=C(F)C=C2NC(=O)COC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241664	1	41	-1.0	-45.00	340.94	1.64	-43.36
O=C(NC1=C(F)C=C2NC(=O)COC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241665	0	38	-1.0	-53.76	324.35	0.72	-53.04
O=C(NC1=C(F)C=C2NC(=O)COC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241665	1	38	-1.0	-53.72	324.41	0.73	-52.99
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1F)NC(=O)CO2)C1=N[N-]N=N1	REAL300020241666	0	41	-1.0	-47.80	367.88	0.68	-47.12
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1F)NC(=O)CO2)C1=NN=N[N-]1	REAL300020241666	1	41	-1.0	-47.86	367.94	0.69	-47.17
O=C(NC1=C(F)C=C2NC(=O)COC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241667	0	38	-1.0	-44.88	325.71	0.77	-44.11
O=C(NC1=C(F)C=C2NC(=O)COC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241667	1	38	-1.0	-44.89	325.79	0.78	-44.11
O=C(NC1=C(F)C=C2NC(=O)COC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241668	0	44	-1.0	-43.40	354.50	1.81	-41.59
O=C(NC1=C(F)C=C2NC(=O)COC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241668	1	44	-1.0	-43.38	354.55	1.82	-41.56
CC1=NN(C)C(C(F)F)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241669	0	41	-1.0	-48.03	356.81	3.73	-44.30
CC1=NN(C)C(C(F)F)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241669	1	41	-1.0	-47.99	356.75	3.71	-44.28
CC1=NN(C)C(C(F)F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241670	0	41	-1.0	-46.92	333.80	3.41	-43.51
CC1=NN(C)C(C(F)F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241670	1	41	-1.0	-46.90	333.86	3.43	-43.47
CC1=NN(C)C(C(F)F)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241671	0	38	-1.0	-57.18	318.16	2.44	-54.74
CC1=NN(C)C(C(F)F)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241671	1	38	-1.0	-57.19	318.22	2.46	-54.73
CSCC[C@H](NC(=O)NC1=C(C(F)F)N(C)N=C1C)C1=N[N-]N=N1	REAL300020241672	0	41	-1.0	-51.17	363.42	2.40	-48.77
CSCC[C@H](NC(=O)NC1=C(C(F)F)N(C)N=C1C)C1=NN=N[N-]1	REAL300020241672	1	41	-1.0	-51.20	363.48	2.42	-48.78
CC1=NN(C)C(C(F)F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241673	0	38	-1.0	-48.77	331.35	2.54	-46.23
CC1=NN(C)C(C(F)F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241673	1	38	-1.0	-48.81	331.42	2.55	-46.26
CC1=NN(C)C(C(F)F)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241674	0	44	-1.0	-53.75	346.64	4.25	-49.50
CC1=NN(C)C(C(F)F)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241674	1	44	-1.0	-53.75	346.69	4.27	-49.48
CC(C)C(C)OC1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241675	0	51	-1.0	-41.97	416.99	3.64	-38.33
CC(C)C(C)OC1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241675	1	51	-1.0	-42.00	416.93	3.62	-38.38
CC(C)C(C)OC1=NN(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241676	0	51	-1.0	-43.38	398.83	3.15	-40.23
CC(C)C(C)OC1=NN(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241676	1	51	-1.0	-43.40	398.77	3.13	-40.27
CC(C)C(C)OC1=NN(C)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020241677	0	48	-1.0	-51.18	382.35	2.27	-48.91
CC(C)C(C)OC1=NN(C)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020241677	1	48	-1.0	-51.20	382.29	2.25	-48.95
CSCC[C@H](NC(=O)NC1=CN(C)N=C1OC(C)C(C)C)C1=NN=N[N-]1	REAL300020241678	0	51	-1.0	-45.47	426.99	2.19	-43.28
CSCC[C@H](NC(=O)NC1=CN(C)N=C1OC(C)C(C)C)C1=N[N-]N=N1	REAL300020241678	1	51	-1.0	-45.50	426.94	2.18	-43.32
CC(C)C(C)OC1=NN(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020241679	0	48	-1.0	-42.42	383.84	2.32	-40.10
CC(C)C(C)OC1=NN(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020241679	1	48	-1.0	-42.41	383.77	2.31	-40.10
CC(C)C(C)OC1=NN(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020241680	0	54	-1.0	-47.91	407.39	4.13	-43.78
CC(C)C(C)OC1=NN(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020241680	1	54	-1.0	-47.88	407.34	4.12	-43.76
O=C(NC1=NN=C2C=CC(Cl)=CN21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241681	0	37	-1.0	-50.07	343.50	8.27	-41.80
O=C(NC1=NN=C2C=CC(Cl)=CN21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241681	1	37	-1.0	-50.12	343.44	8.25	-41.87
O=C(NC1=NN=C2C=CC(Cl)=CN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241682	0	37	-1.0	-52.33	324.28	7.80	-44.53
O=C(NC1=NN=C2C=CC(Cl)=CN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241682	1	37	-1.0	-52.32	324.22	7.78	-44.54
O=C(NC1=NN=C2C=CC(Cl)=CN21)N1CCCC1C1=NN=N[N-]1	REAL300020241683	0	34	-1.0	-64.75	308.85	6.88	-57.87
O=C(NC1=NN=C2C=CC(Cl)=CN21)N1CCCC1C1=N[N-]N=N1	REAL300020241683	1	34	-1.0	-64.76	308.80	6.86	-57.90
CSCC[C@H](NC(=O)NC1=NN=C2C=CC(Cl)=CN21)C1=NN=N[N-]1	REAL300020241684	0	37	-1.0	-56.30	352.46	6.85	-49.45
CSCC[C@H](NC(=O)NC1=NN=C2C=CC(Cl)=CN21)C1=N[N-]N=N1	REAL300020241684	1	37	-1.0	-56.28	352.41	6.83	-49.45
O=C(NC1=NN=C2C=CC(Cl)=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020241685	0	34	-1.0	-53.04	310.31	6.95	-46.09
O=C(NC1=NN=C2C=CC(Cl)=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020241685	1	34	-1.0	-53.02	310.24	6.93	-46.09
O=C(NC1=NN=C2C=CC(Cl)=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020241686	0	40	-1.0	-61.60	332.77	8.66	-52.94
O=C(NC1=NN=C2C=CC(Cl)=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020241686	1	40	-1.0	-61.56	332.71	8.65	-52.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(N2C=CC=N2)=CC=N1	REAL300020241687	0	41	-1.0	-48.15	358.17	5.69	-42.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(N2C=CC=N2)=CC=N1	REAL300020241687	1	41	-1.0	-48.17	358.11	5.67	-42.50
O=C(NC1=CC(N2C=CC=N2)=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241688	0	41	-1.0	-51.73	336.16	4.56	-47.17
O=C(NC1=CC(N2C=CC=N2)=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241688	1	41	-1.0	-51.68	336.21	4.58	-47.10
O=C(NC1=CC(N2C=CC=N2)=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020241689	0	38	-1.0	-59.71	323.60	4.28	-55.43
O=C(NC1=CC(N2C=CC=N2)=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020241689	1	38	-1.0	-59.72	323.66	4.30	-55.42
CSCC[C@H](NC(=O)NC1=CC(N2C=CC=N2)=CC=N1)C1=N[N-]N=N1	REAL300020241690	0	41	-1.0	-53.06	367.12	4.25	-48.81
CSCC[C@H](NC(=O)NC1=CC(N2C=CC=N2)=CC=N1)C1=NN=N[N-]1	REAL300020241690	1	41	-1.0	-53.08	367.18	4.26	-48.82
O=C(NC1=CC(N2C=CC=N2)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241691	0	38	-1.0	-50.00	324.89	4.34	-45.66
O=C(NC1=CC(N2C=CC=N2)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241691	1	38	-1.0	-50.01	324.96	4.36	-45.65
O=C(NC1=CC(N2C=CC=N2)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241692	0	44	-1.0	-54.61	347.53	6.03	-48.58
O=C(NC1=CC(N2C=CC=N2)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241692	1	44	-1.0	-54.65	347.59	6.05	-48.60
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=NC=C12	REAL300020241693	0	46	-1.0	-44.93	371.11	5.41	-39.52
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=NC=C12	REAL300020241693	1	46	-1.0	-44.94	371.05	5.39	-39.55
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=NC=C12	REAL300020241694	0	43	-1.0	-52.37	357.51	4.49	-47.88
COC(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=NC=C12	REAL300020241694	1	43	-1.0	-52.32	357.45	4.48	-47.84
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=NC=C12	REAL300020241695	0	43	-1.0	-44.69	357.50	4.56	-40.13
COC(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=NC=C12	REAL300020241695	1	43	-1.0	-44.73	357.42	4.54	-40.19
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=NC=C12	REAL300020241696	0	49	-1.0	-49.64	380.66	6.30	-43.34
COC(=O)C1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=NC=C12	REAL300020241696	1	49	-1.0	-49.59	380.60	6.30	-43.29
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(F)(F)F	REAL300020241697	0	41	-1.0	-46.46	353.17	6.82	-39.64
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(F)(F)F	REAL300020241697	1	41	-1.0	-46.43	353.11	6.79	-39.64
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(F)(F)F	REAL300020241698	0	41	-1.0	-42.37	333.46	6.24	-36.13
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(F)(F)F	REAL300020241698	1	41	-1.0	-42.38	333.52	6.26	-36.12
CC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(F)(F)F	REAL300020241699	0	38	-1.0	-50.88	317.73	5.39	-45.49
CC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(F)(F)F	REAL300020241699	1	38	-1.0	-50.88	317.79	5.40	-45.48
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020241700	0	41	-1.0	-44.53	362.28	5.39	-39.14
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020241700	1	41	-1.0	-44.56	362.34	5.41	-39.15
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020241701	0	38	-1.0	-41.23	319.26	5.42	-35.81
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020241701	1	38	-1.0	-41.23	319.34	5.44	-35.79
CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(F)(F)F	REAL300020241702	0	44	-1.0	-48.47	342.69	7.02	-41.45
CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(F)(F)F	REAL300020241702	1	44	-1.0	-48.47	342.74	7.03	-41.44
CC1=CC=CC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)=C1	REAL300020241703	0	48	-1.0	-51.40	398.73	8.88	-42.52
CC1=CC=CC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=C1	REAL300020241703	1	48	-1.0	-51.38	398.67	8.86	-42.52
CC1=CC=CC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=C1	REAL300020241704	0	48	-1.0	-44.22	379.48	8.40	-35.82
CC1=CC=CC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=C1	REAL300020241704	1	48	-1.0	-44.22	379.54	8.41	-35.81
CC1=CC=CC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=C1	REAL300020241705	0	45	-1.0	-54.59	364.33	7.43	-47.16
CC1=CC=CC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=C1	REAL300020241705	1	45	-1.0	-54.58	364.39	7.45	-47.13
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC(C)=C2)C=C1)C1=N[N-]N=N1	REAL300020241706	0	48	-1.0	-50.16	407.86	7.41	-42.75
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC(C)=C2)C=C1)C1=NN=N[N-]1	REAL300020241706	1	48	-1.0	-50.16	407.91	7.43	-42.73
CC1=CC=CC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020241707	0	45	-1.0	-45.41	365.70	7.50	-37.91
CC1=CC=CC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020241707	1	45	-1.0	-45.43	365.77	7.50	-37.93
CC1=CC=CC(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=C1	REAL300020241708	0	51	-1.0	-42.69	392.07	8.51	-34.18
CC1=CC=CC(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=C1	REAL300020241708	1	51	-1.0	-42.67	392.11	8.54	-34.13
CC(F)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020241709	0	41	-1.0	-53.48	351.01	6.24	-47.24
CC(F)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020241709	1	41	-1.0	-53.48	350.96	6.22	-47.26
CC(F)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241710	0	41	-1.0	-44.37	330.79	5.78	-38.59
CC(F)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241710	1	41	-1.0	-44.34	330.85	5.79	-38.55
CC(F)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020241711	0	38	-1.0	-52.08	316.66	4.81	-47.27
CC(F)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020241711	1	38	-1.0	-52.12	316.72	4.83	-47.29
CSCC[C@H](NC(=O)NC1=CC=CC(C(C)F)=C1)C1=N[N-]N=N1	REAL300020241712	0	41	-1.0	-46.98	359.90	4.81	-42.17
CSCC[C@H](NC(=O)NC1=CC=CC(C(C)F)=C1)C1=NN=N[N-]1	REAL300020241712	1	41	-1.0	-46.96	359.96	4.83	-42.13
CC(F)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020241713	0	38	-1.0	-44.34	317.70	4.89	-39.45
CC(F)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020241713	1	38	-1.0	-44.37	317.77	4.90	-39.47
CC(F)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020241714	0	44	-1.0	-40.13	346.42	5.92	-34.21
CC(F)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020241714	1	44	-1.0	-40.10	346.47	5.95	-34.15
COCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020241715	0	39	-2.0	-90.59	358.39	1.53	-89.06
COCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020241715	1	39	-2.0	-90.59	358.45	1.56	-89.03
COCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020241716	0	39	-2.0	-92.88	341.44	1.42	-91.46
COCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020241716	1	39	-2.0	-92.92	341.49	1.43	-91.49
COCCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020241717	0	36	-2.0	-116.10	325.59	0.31	-115.79
COCCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020241717	1	36	-2.0	-116.04	325.65	0.31	-115.73
COCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020241718	0	39	-2.0	-105.47	367.38	0.12	-105.35
COCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020241718	1	39	-2.0	-105.46	367.44	0.13	-105.33
COCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020241719	0	36	-2.0	-94.45	326.33	0.36	-94.09
COCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020241719	1	36	-2.0	-94.46	326.41	0.38	-94.08
COCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020241720	0	42	-2.0	-112.69	350.01	2.40	-110.29
COCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020241720	1	42	-2.0	-112.70	350.06	2.40	-110.30
O=C(NC1=CC=CC2=CC=C(Br)N=C21)N1CCCC1C1=NN=N[N-]1	REAL300020241721	0	37	-1.0	-55.55	329.75	4.47	-51.08
O=C(NC1=CC=CC2=CC=C(Br)N=C21)N1CCCC1C1=N[N-]N=N1	REAL300020241721	1	37	-1.0	-55.51	329.69	4.46	-51.05
O=C(NC1=CC=CC2=CC=C(Br)N=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020241722	0	37	-1.0	-45.75	331.94	4.49	-41.26
O=C(NC1=CC=CC2=CC=C(Br)N=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020241722	1	37	-1.0	-45.71	331.87	4.48	-41.23
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C1=CC=CO1)C(F)F	REAL300020241723	0	38	-1.0	-49.75	342.38	4.10	-45.65
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C1=CC=CO1)C(F)F	REAL300020241723	1	38	-1.0	-49.71	342.33	4.07	-45.64
O=C(NC(C1=CC=CO1)C(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241724	0	38	-1.0	-45.97	320.79	3.53	-42.44
O=C(NC(C1=CC=CO1)C(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241724	1	38	-1.0	-45.96	320.85	3.54	-42.42
O=C(NC(C1=CC=CO1)C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020241725	0	35	-1.0	-56.08	305.30	2.69	-53.39
O=C(NC(C1=CC=CO1)C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020241725	1	35	-1.0	-56.10	305.36	2.70	-53.40
CSCC[C@H](NC(=O)NC(C1=CC=CO1)C(F)F)C1=N[N-]N=N1	REAL300020241726	0	38	-1.0	-50.00	348.65	2.58	-47.42
CSCC[C@H](NC(=O)NC(C1=CC=CO1)C(F)F)C1=NN=N[N-]1	REAL300020241726	1	38	-1.0	-50.02	348.71	2.60	-47.42
O=C(NC(C1=CC=CO1)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020241727	0	35	-1.0	-41.44	309.16	2.75	-38.69
O=C(NC(C1=CC=CO1)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020241727	1	35	-1.0	-41.50	309.23	2.77	-38.73
O=C(NC(C1=CC=CO1)C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020241728	0	41	-1.0	-46.46	330.14	4.55	-41.91
O=C(NC(C1=CC=CO1)C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020241728	1	41	-1.0	-46.44	330.17	4.57	-41.87
CC(C)CN1C=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020241729	0	44	-1.0	-44.00	367.97	5.94	-38.06
CC(C)CN1C=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020241729	1	44	-1.0	-44.00	367.92	5.92	-38.08
CC(C)CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020241730	0	44	-1.0	-45.57	344.32	5.49	-40.08
CC(C)CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020241730	1	44	-1.0	-45.62	344.27	5.48	-40.14
CC(C)CN1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020241731	0	41	-1.0	-54.27	328.88	4.60	-49.67
CC(C)CN1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020241731	1	41	-1.0	-54.26	328.82	4.58	-49.68
CSCC[C@H](NC(=O)NC1=NN(CC(C)C)C=C1)C1=NN=N[N-]1	REAL300020241732	0	44	-1.0	-48.65	376.95	4.52	-44.13
CSCC[C@H](NC(=O)NC1=NN(CC(C)C)C=C1)C1=N[N-]N=N1	REAL300020241732	1	44	-1.0	-48.62	376.89	4.50	-44.12
CC(C)CN1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020241733	0	41	-1.0	-44.57	330.38	4.64	-39.93
CC(C)CN1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020241733	1	41	-1.0	-44.58	330.31	4.62	-39.96
CC(C)CN1C=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020241734	0	47	-1.0	-50.26	356.74	6.33	-43.93
CC(C)CN1C=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020241734	1	47	-1.0	-50.23	356.70	6.33	-43.90
CC(CC1=CC=CC=C1)(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020241735	0	47	-1.0	-42.99	365.62	6.15	-36.84
CC(CC1=CC=CC=C1)(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020241735	1	47	-1.0	-43.03	365.67	6.16	-36.87
CC(CC1=CC=CC=C1)(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020241736	0	44	-1.0	-47.93	352.73	5.33	-42.60
CC(CC1=CC=CC=C1)(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020241736	1	44	-1.0	-47.90	352.79	5.36	-42.54
CC(CC1=CC=CC=C1)(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020241737	0	44	-1.0	-39.46	354.18	5.39	-34.07
CC(CC1=CC=CC=C1)(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020241737	1	44	-1.0	-39.50	354.25	5.39	-34.11
CC(CC1=CC=CC=C1)(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020241738	0	50	-1.0	-52.72	369.47	7.22	-45.50
CC(CC1=CC=CC=C1)(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020241738	1	50	-1.0	-52.76	369.52	7.24	-45.52
O=C(NC1=CC=C(C2CCCCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241739	0	51	-1.0	-48.57	404.67	8.64	-39.93
O=C(NC1=CC=C(C2CCCCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241739	1	51	-1.0	-48.55	404.61	8.61	-39.94
O=C(NC1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241740	0	51	-1.0	-42.57	385.73	8.10	-34.47
O=C(NC1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241740	1	51	-1.0	-42.58	385.79	8.12	-34.46
O=C(NC1=CC=C(C2CCCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241741	0	48	-1.0	-53.02	370.58	7.16	-45.86
O=C(NC1=CC=C(C2CCCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241741	1	48	-1.0	-52.99	370.64	7.18	-45.81
CSCC[C@H](NC(=O)NC1=CC=C(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300020241742	0	51	-1.0	-48.52	414.11	7.12	-41.40
CSCC[C@H](NC(=O)NC1=CC=C(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300020241742	1	51	-1.0	-48.49	414.17	7.14	-41.35
O=C(NC1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020241743	0	48	-1.0	-43.48	371.96	7.21	-36.27
O=C(NC1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020241743	1	48	-1.0	-43.48	372.03	7.22	-36.26
O=C(NC1=CC=C(C2CCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020241744	0	54	-1.0	-49.41	393.87	9.01	-40.40
O=C(NC1=CC=C(C2CCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020241744	1	54	-1.0	-49.41	393.91	9.00	-40.41
O=C(NC1=CC=CC(CCF)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020241745	0	41	-1.0	-53.50	352.65	6.37	-47.13
O=C(NC1=CC=CC(CCF)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020241745	1	41	-1.0	-53.52	352.59	6.35	-47.17
O=C(NC1=CC=CC(CCF)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241746	0	41	-1.0	-45.17	333.68	5.86	-39.31
O=C(NC1=CC=CC(CCF)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241746	1	41	-1.0	-45.21	333.73	5.88	-39.33
O=C(NC1=CC=CC(CCF)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020241747	0	38	-1.0	-53.08	318.29	4.95	-48.13
O=C(NC1=CC=CC(CCF)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020241747	1	38	-1.0	-53.08	318.34	4.96	-48.12
CSCC[C@H](NC(=O)NC1=CC=CC(CCF)=C1)C1=N[N-]N=N1	REAL300020241748	0	41	-1.0	-46.50	361.53	4.94	-41.56
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O=C(NC1CCC2(CC1)OCCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241797	1	47	-1.0	-43.69	357.77	3.02	-40.67
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O=C(NCC1=CC=CC=C1CN1CCCC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241798	1	52	-1.0	-49.21	410.43	6.75	-42.46
CC1=CC(C)=NN1C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020241799	0	50	-1.0	-47.34	405.32	6.40	-40.94
CC1=CC(C)=NN1C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020241799	1	50	-1.0	-47.32	405.26	6.39	-40.93
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CC1	REAL300020241800	0	58	0.0	-68.64	437.03	5.54	-63.10
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CC1	REAL300020241800	1	58	0.0	-68.67	437.09	5.55	-63.12
CCN1CCN(C2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CC1	REAL300020241800	1	57	-1.0	-44.84	433.83	3.18	-41.66
CCN1CCN(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CC1	REAL300020241800	1	57	-1.0	-44.86	433.89	3.19	-41.67
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COCC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241802	0	45	-1.0	-43.23	364.97	4.18	-39.05
COCC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241802	1	45	-1.0	-43.24	365.03	4.20	-39.04
COCC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241803	0	45	-1.0	-42.09	359.61	4.31	-37.78
COCC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241803	1	45	-1.0	-42.10	359.67	4.33	-37.77
COCC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241804	0	45	-1.0	-43.23	364.99	4.17	-39.06
COCC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241804	1	45	-1.0	-43.24	365.04	4.19	-39.05
CCOCC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241805	0	48	-1.0	-43.12	386.82	5.15	-37.97
CCOCC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241805	1	48	-1.0	-43.16	386.88	5.16	-38.00
CCOCC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241806	0	48	-1.0	-41.98	381.46	5.29	-36.69
CCOCC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241806	1	48	-1.0	-41.99	381.52	5.31	-36.68
O=C(NCC1=CC=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241807	0	41	-1.0	-44.40	335.97	3.10	-41.30
O=C(NCC1=CC=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241807	1	41	-1.0	-44.36	336.03	3.11	-41.25
CCCCC(CC)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241808	0	49	-1.0	-41.78	365.89	5.71	-36.07
CCCCC(CC)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241808	1	49	-1.0	-41.74	365.95	5.73	-36.01
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020241809	0	41	-1.0	-42.67	327.42	5.27	-37.40
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020241809	1	41	-1.0	-42.67	327.48	5.29	-37.38
O=C(NCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241810	0	38	-1.0	-41.53	326.64	4.97	-36.56
O=C(NCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241810	1	38	-1.0	-41.55	326.69	4.98	-36.57
O=C(NCCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241811	0	41	-1.0	-43.71	331.41	5.22	-38.49
O=C(NCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241811	1	41	-1.0	-43.75	331.47	5.23	-38.52
O=C(NCCCN1CCCC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241812	0	45	-1.0	-48.31	357.56	3.29	-45.02
O=C(NCCCN1CCCC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241812	1	45	-1.0	-48.33	357.62	3.30	-45.03
O=C(NCCCN1C=CN=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241813	0	41	-1.0	-46.81	333.38	4.79	-42.02
O=C(NCCCN1C=CN=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241813	1	41	-1.0	-46.85	333.44	4.80	-42.05
O=C(NCCCN1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241814	0	47	-1.0	-44.08	359.83	0.68	-43.40
O=C(NCCCN1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241814	1	47	-1.0	-44.06	359.88	0.69	-43.37
CC1(C)CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)(C)[NH2+]1	REAL300020241815	0	53	0.0	-65.95	382.14	4.02	-61.93
CC1(C)CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)(C)[NH2+]1	REAL300020241815	1	53	0.0	-66.01	382.20	4.03	-61.98
COC1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241816	0	45	-1.0	-45.29	360.91	4.52	-40.77
COC1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241816	1	45	-1.0	-45.29	360.97	4.53	-40.76
CC(CCC1=CC=CC=C1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241817	0	47	-1.0	-43.72	372.67	7.00	-36.72
CC(CCC1=CC=CC=C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241817	1	47	-1.0	-43.81	372.73	7.01	-36.80
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C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020241818	1	51	0.0	-81.12	387.68	3.57	-77.55
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241818	1	51	0.0	-81.13	387.74	3.59	-77.54
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CC(C)CCCC(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241820	0	49	-1.0	-42.67	373.33	6.06	-36.61
CC(C)CCCC(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241820	1	49	-1.0	-42.68	373.39	6.08	-36.60
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NS(=O)(=O)C1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241823	0	46	-1.0	-51.41	385.64	0.17	-51.24
NS(=O)(=O)C1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241823	1	46	-1.0	-51.43	385.70	0.19	-51.24
O=C(NC1CCCCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241824	0	47	-1.0	-42.50	334.61	4.94	-37.56
O=C(NC1CCCCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241824	1	47	-1.0	-42.50	334.66	4.96	-37.54
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O=C(NCCC1=CNC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241825	1	45	-1.0	-47.68	363.37	5.29	-42.39
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O=C(NCCC1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241827	0	40	-1.0	-46.92	325.58	3.43	-43.49
O=C(NCCC1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241827	1	40	-1.0	-46.92	325.64	3.45	-43.47
O=C(NCCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241828	0	41	-1.0	-43.74	348.14	5.74	-38.00
O=C(NCCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241828	1	41	-1.0	-43.72	348.19	5.75	-37.97
COCCOC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241829	0	49	-1.0	-44.47	394.89	3.95	-40.52
COCCOC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241829	1	49	-1.0	-44.48	394.95	3.96	-40.52
COCCOC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241830	0	49	-1.0	-45.04	394.91	3.95	-41.09
COCCOC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241830	1	49	-1.0	-45.02	394.97	3.96	-41.06
CCCC(=O)NC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241831	0	51	-1.0	-47.12	407.80	4.93	-42.19
CCCC(=O)NC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241831	1	51	-1.0	-47.09	407.86	4.95	-42.14
CCCC(=O)NC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241832	0	51	-1.0	-47.26	408.06	4.92	-42.34
CCCC(=O)NC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241832	1	51	-1.0	-47.28	408.12	4.93	-42.35
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCN(C2=CC=CC=C2)CC1	REAL300020241833	0	58	-1.0	-43.32	429.73	4.54	-38.78
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCN(C2=CC=CC=C2)CC1	REAL300020241833	1	58	-1.0	-43.30	429.79	4.55	-38.75
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300020241833	1	59	0.0	-69.39	428.38	6.11	-63.28
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300020241833	1	59	0.0	-69.37	428.44	6.12	-63.25
O=C(NCCN1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241834	0	55	-1.0	-44.55	414.68	3.07	-41.48
O=C(NCCN1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241834	1	55	-1.0	-44.55	414.73	3.09	-41.46
O=C(NCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241834	1	56	0.0	-69.76	418.39	5.51	-64.25
O=C(NCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241834	1	56	0.0	-69.83	418.44	5.52	-64.31
CCN(CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1C	REAL300020241835	0	52	-1.0	-42.58	401.39	5.86	-36.72
CCN(CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1C	REAL300020241835	1	52	-1.0	-42.62	401.44	5.87	-36.75
CNC(=O)CN1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020241836	0	50	-1.0	-49.10	384.25	0.17	-48.93
CNC(=O)CN1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241836	1	50	-1.0	-49.10	384.31	0.19	-48.91
CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241836	1	51	0.0	-69.97	386.56	2.37	-67.60
CCCNC(=O)CN1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020241837	0	56	-1.0	-48.58	427.23	1.78	-46.80
CCCNC(=O)CN1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241837	1	56	-1.0	-48.55	427.29	1.80	-46.75
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241837	1	57	0.0	-69.80	429.55	3.97	-65.83
CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020241838	0	40	-1.0	-44.07	326.37	3.27	-40.80
CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020241838	1	40	-1.0	-44.12	326.42	3.29	-40.83
O=C(NCCCC1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241839	0	47	-1.0	-41.98	357.21	5.59	-36.39
O=C(NCCCC1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241839	1	47	-1.0	-41.99	357.27	5.60	-36.39
O=C(NCCCC1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241840	0	50	-1.0	-42.01	373.70	6.17	-35.84
O=C(NCCCC1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241840	1	50	-1.0	-42.00	373.76	6.18	-35.82
O=C(NCC1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241841	0	49	-1.0	-50.33	387.73	5.57	-44.76
O=C(NCC1=CC=CC(N2CCCC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241841	1	49	-1.0	-50.33	387.78	5.58	-44.75
CCC(CC)C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020241842	0	53	-1.0	-42.73	388.21	8.30	-34.43
CCC(CC)C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020241842	1	53	-1.0	-42.73	388.27	8.32	-34.41
CC(C)(C)C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020241843	0	50	-1.0	-42.51	371.41	6.63	-35.88
CC(C)(C)C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020241843	1	50	-1.0	-42.54	371.47	6.64	-35.90
CC(C)(C)CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020241844	0	53	-1.0	-42.80	393.90	7.17	-35.63
CC(C)(C)CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020241844	1	53	-1.0	-42.78	393.96	7.18	-35.60
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NC(=O)C1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241887	1	42	-1.0	-48.54	344.53	1.24	-47.30
CN(C)C(=O)C1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241888	0	48	-1.0	-48.75	381.60	4.29	-44.46
CN(C)C(=O)C1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241888	1	48	-1.0	-48.71	381.65	4.30	-44.41
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(OC(F)F)=C1	REAL300020241889	0	45	-1.0	-45.62	366.64	4.86	-40.76
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(OC(F)F)=C1	REAL300020241889	1	45	-1.0	-45.62	366.70	4.87	-40.75
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(OC(F)F)C=C1	REAL300020241890	0	45	-1.0	-44.81	366.55	4.86	-39.95
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(OC(F)F)C=C1	REAL300020241890	1	45	-1.0	-44.82	366.61	4.88	-39.94
O=C(NCC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241891	0	38	-1.0	-41.08	341.04	5.37	-35.71
O=C(NCC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241891	1	38	-1.0	-41.14	341.10	5.39	-35.75
O=C(NCCCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241892	0	44	-1.0	-43.61	352.90	5.98	-37.63
O=C(NCCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241892	1	44	-1.0	-43.64	352.95	6.00	-37.64
COC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020241893	0	46	-1.0	-45.18	368.67	3.64	-41.54
COC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020241893	1	46	-1.0	-45.17	368.73	3.66	-41.51
CC(C)CCCCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241894	0	52	-1.0	-41.94	396.56	6.60	-35.34
CC(C)CCCCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241894	1	52	-1.0	-41.93	396.62	6.62	-35.31
CCCCCCC(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241895	0	49	-1.0	-42.75	377.26	6.33	-36.42
CCCCCCC(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241895	1	49	-1.0	-42.77	377.32	6.34	-36.43
COC1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020241896	0	49	-1.0	-47.63	390.16	4.41	-43.22
COC1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020241896	1	49	-1.0	-47.60	390.21	4.43	-43.17
COC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241897	0	42	-1.0	-43.78	338.36	3.79	-39.99
COC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241897	1	42	-1.0	-43.77	338.42	3.80	-39.97
O=C(NCCC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241898	0	41	-1.0	-45.15	361.88	6.13	-39.02
O=C(NCCC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241898	1	41	-1.0	-45.15	361.94	6.15	-39.00
CC[NH+](CC)CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241899	0	49	0.0	-65.50	360.78	4.60	-60.90
CC[NH+](CC)CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241899	1	49	0.0	-65.49	360.84	4.62	-60.87
O=C(NCCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241900	0	41	-1.0	-44.29	337.81	5.29	-39.00
O=C(NCCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241900	1	41	-1.0	-44.29	337.87	5.30	-38.99
O=C(NCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241901	0	38	-1.0	-41.94	316.31	4.52	-37.42
O=C(NCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241901	1	38	-1.0	-41.99	316.37	4.53	-37.46
O=C(NCCC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241902	0	54	-1.0	-44.58	421.28	9.08	-35.50
O=C(NCCC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241902	1	54	-1.0	-44.60	421.33	9.09	-35.51
CCCCOCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241903	0	47	-1.0	-42.54	370.03	3.81	-38.73
CCCCOCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241903	1	47	-1.0	-42.56	370.09	3.83	-38.73
CC1CCCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1C	REAL300020241904	0	47	-1.0	-42.45	341.73	5.25	-37.20
CC1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1C	REAL300020241904	1	47	-1.0	-42.46	341.79	5.27	-37.19
CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241905	0	41	-1.0	-42.09	331.31	5.12	-36.97
CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241905	1	41	-1.0	-42.08	331.37	5.14	-36.94
CCOC1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OCC	REAL300020241906	0	55	-1.0	-47.45	433.87	6.25	-41.20
CCOC1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OCC	REAL300020241906	1	55	-1.0	-47.43	433.92	6.27	-41.16
C[NH+](C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020241907	0	50	0.0	-68.59	379.14	6.37	-62.22
C[NH+](C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020241907	1	50	0.0	-68.60	379.20	6.39	-62.21
CC(C)[NH+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020241908	0	52	0.0	-61.13	368.74	4.72	-56.41
CC(C)[NH+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C	REAL300020241908	1	52	0.0	-61.14	368.80	4.74	-56.40
COC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241909	0	42	-1.0	-43.11	339.43	3.75	-39.36
COC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241909	1	42	-1.0	-43.10	339.49	3.76	-39.34
O=C(NCCC12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241910	0	55	-1.0	-42.11	388.50	6.88	-35.23
O=C(NCCC12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241910	1	55	-1.0	-42.08	388.56	6.89	-35.19
O=C(NCC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241911	0	38	-1.0	-45.06	315.58	4.47	-40.59
O=C(NCC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241911	1	38	-1.0	-45.05	315.64	4.48	-40.57
O=C(NCC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241912	0	41	-1.0	-42.01	348.65	5.44	-36.57
O=C(NCC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241912	1	41	-1.0	-42.04	348.71	5.46	-36.58
COC1=CC(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1OC	REAL300020241913	0	53	-1.0	-45.41	419.27	4.42	-40.99
COC1=CC(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1OC	REAL300020241913	1	53	-1.0	-45.40	419.32	4.43	-40.97
O=C(NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241914	0	59	0.0	-71.93	439.89	6.30	-65.63
O=C(NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241914	1	59	0.0	-71.96	439.95	6.31	-65.65
CNS(=O)(=O)C1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241915	0	46	-1.0	-48.03	386.53	0.61	-47.42
CNS(=O)(=O)C1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241915	1	46	-1.0	-48.05	386.59	0.62	-47.43
CC1=CC(C)=NN1C1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241916	0	54	-1.0	-50.47	430.54	7.41	-43.06
CC1=CC(C)=NN1C1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241916	1	54	-1.0	-50.45	430.59	7.43	-43.02
CC(C)OC1=CC=CC=C1C(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241917	0	51	-1.0	-45.33	394.52	6.24	-39.09
CC(C)OC1=CC=CC=C1C(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241917	1	51	-1.0	-45.36	394.58	6.26	-39.10
CC(C)OC1=CC=CC(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241918	0	51	-1.0	-43.54	396.72	6.13	-37.41
CC(C)OC1=CC=CC(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241918	1	51	-1.0	-43.61	396.77	6.15	-37.46
COC1=CC(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC(C)C	REAL300020241919	0	55	-1.0	-44.84	426.37	6.06	-38.78
COC1=CC(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC(C)C	REAL300020241919	1	55	-1.0	-44.87	426.43	6.07	-38.80
CCCOC1=CC=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020241920	0	55	-1.0	-44.67	429.47	6.21	-38.46
CCCOC1=CC=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020241920	1	55	-1.0	-44.66	429.53	6.22	-38.44
CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1OC(F)F	REAL300020241921	0	48	-1.0	-45.18	378.01	5.41	-39.77
CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1OC(F)F	REAL300020241921	1	48	-1.0	-45.17	378.07	5.42	-39.75
O=C(NCCC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241922	0	45	-1.0	-43.97	377.41	5.01	-38.96
O=C(NCCC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241922	1	45	-1.0	-43.98	377.46	5.03	-38.95
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300020241923	0	52	-1.0	-50.10	414.28	5.76	-44.34
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300020241923	1	52	-1.0	-50.16	414.34	5.78	-44.38
CC1CC[NH+](CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020241924	0	56	0.0	-67.90	412.97	6.75	-61.15
CC1CC[NH+](CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241924	1	56	0.0	-67.93	413.03	6.76	-61.17
O=C(NCCCC[NH+]1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241925	0	51	0.0	-69.91	383.83	3.72	-66.19
O=C(NCCCC[NH+]1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241925	1	51	0.0	-69.94	383.89	3.74	-66.20
O=C(NCCCCN1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241925	1	50	-1.0	-43.85	381.33	1.47	-42.38
O=C(NCCCCN1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241925	1	50	-1.0	-43.88	381.39	1.49	-42.39
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241926	0	56	0.0	-64.20	409.27	6.64	-57.56
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241926	1	56	0.0	-65.39	409.25	6.63	-58.76
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241926	1	56	0.0	-64.17	409.33	6.65	-57.52
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241926	1	56	0.0	-65.43	409.31	6.64	-58.79
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241927	0	56	0.0	-67.38	413.42	6.75	-60.63
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241927	1	56	0.0	-67.41	413.43	6.75	-60.66
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241927	1	56	0.0	-67.36	413.47	6.76	-60.60
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241927	1	56	0.0	-67.44	413.49	6.76	-60.68
CCN1CC[NH+](CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020241928	0	58	0.0	-67.12	427.19	4.39	-62.73
CCN1CC[NH+](CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241928	1	58	0.0	-67.18	427.25	4.40	-62.78
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020241928	1	58	0.0	-65.70	426.68	4.35	-61.35
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020241928	1	58	0.0	-65.75	426.74	4.37	-61.38
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241929	0	59	0.0	-66.53	434.27	7.34	-59.19
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241929	1	59	0.0	-66.53	434.33	7.36	-59.17
CC1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020241930	0	41	-1.0	-45.28	334.07	4.15	-41.13
CC1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020241930	1	41	-1.0	-45.30	334.13	4.17	-41.13
CC1=CC=C(OCCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241931	0	51	-1.0	-45.79	404.28	6.26	-39.53
CC1=CC=C(OCCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241931	1	51	-1.0	-45.83	404.33	6.27	-39.56
CC(CC1=CC=CO1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241932	0	41	-1.0	-45.58	332.22	4.28	-41.30
CC(CC1=CC=CO1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241932	1	41	-1.0	-45.59	332.28	4.30	-41.29
O=C(NCC(C1=CC=CC=C1)N1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241933	0	54	-1.0	-43.69	405.43	3.32	-40.37
O=C(NCC(C1=CC=CC=C1)N1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241933	1	54	-1.0	-43.72	405.48	3.34	-40.38
COCCOC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020241934	0	48	-1.0	-45.66	392.48	1.35	-44.31
COCCOC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020241934	1	48	-1.0	-45.64	392.43	1.33	-44.31
COCCOC1=NC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241935	0	48	-1.0	-46.35	391.46	1.40	-44.95
COCCOC1=NC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241935	1	48	-1.0	-46.36	391.41	1.38	-44.98
CC(C)OC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020241936	0	47	-1.0	-44.09	379.00	3.02	-41.07
CC(C)OC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020241936	1	47	-1.0	-44.04	378.94	3.00	-41.04
CC(C)OC1=NC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241937	0	47	-1.0	-44.29	377.97	3.08	-41.21
CC(C)OC1=NC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241937	1	47	-1.0	-44.37	377.92	3.06	-41.31
CCOCCOCC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241938	0	55	-1.0	-45.04	442.32	5.36	-39.68
CCOCCOCC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241938	1	55	-1.0	-45.10	442.38	5.38	-39.72
CC1CCCCC1OCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241939	0	51	-1.0	-41.78	385.10	4.99	-36.79
CC1CCCCC1OCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241939	1	51	-1.0	-41.81	385.15	5.00	-36.81
C[NH+](C)C1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCCC1	REAL300020241940	0	56	0.0	-65.68	373.25	6.53	-59.15
C[NH+](C)C1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCCC1	REAL300020241940	1	56	0.0	-65.69	373.30	6.54	-59.15
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CN=C1	REAL300020241941	0	40	-1.0	-44.21	322.35	3.51	-40.70
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CN=C1	REAL300020241941	1	40	-1.0	-44.24	322.29	3.49	-40.75
O=C(NCCOC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241942	0	42	-1.0	-42.98	356.54	4.59	-38.39
O=C(NCCOC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241942	1	42	-1.0	-42.96	356.60	4.61	-38.35
CC(C)(C)C1=CC=C(OCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241943	0	54	-1.0	-42.87	415.98	6.39	-36.48
CC(C)(C)C1=CC=C(OCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241943	1	54	-1.0	-42.88	416.04	6.41	-36.47
O=C(NCCSCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241944	0	45	-1.0	-44.66	376.11	6.57	-38.09
O=C(NCCSCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241944	1	45	-1.0	-44.67	376.17	6.58	-38.09
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(N2C=NC=N2)C=C1	REAL300020241945	0	47	-1.0	-47.89	380.76	7.81	-40.08
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(N2C=NC=N2)C=C1	REAL300020241945	1	47	-1.0	-47.88	380.70	7.80	-40.08
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241946	0	54	0.0	-66.33	400.92	4.44	-61.89
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241946	1	54	0.0	-67.37	400.58	4.50	-62.87
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241946	1	54	0.0	-66.42	400.97	4.46	-61.96
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241946	1	54	0.0	-67.35	400.64	4.52	-62.83
CC(C)CN1CCOC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020241946	1	53	-1.0	-42.30	399.76	2.37	-39.93
CC(C)CN1CCOC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020241946	1	53	-1.0	-42.29	399.82	2.38	-39.91
CC1=CC=C(CSCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241947	0	48	-1.0	-44.77	397.52	7.24	-37.53
CC1=CC=C(CSCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241947	1	48	-1.0	-44.79	397.58	7.26	-37.53
O=C(NCCSCC1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241948	0	45	-1.0	-45.66	381.42	6.60	-39.06
O=C(NCCSCC1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241948	1	45	-1.0	-45.68	381.48	6.62	-39.06
N#CC1=CC=CC=C1CSCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241949	0	46	-1.0	-47.82	394.73	6.80	-41.02
N#CC1=CC=CC=C1CSCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241949	1	46	-1.0	-47.82	394.78	6.81	-41.01
O=C(NCCC1=CC=C(OC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241950	0	45	-1.0	-47.32	370.66	4.79	-42.53
O=C(NCCC1=CC=C(OC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241950	1	45	-1.0	-47.35	370.72	4.80	-42.55
O=C(NCCCN1C=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241951	0	47	-1.0	-48.37	380.25	6.79	-41.58
O=C(NCCCN1C=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241951	1	47	-1.0	-48.38	380.31	6.80	-41.58
O=C(NCCSC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241952	0	42	-1.0	-43.52	366.94	6.18	-37.34
O=C(NCCSC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241952	1	42	-1.0	-43.53	366.99	6.20	-37.33
O=C(NC(C1=CC=CC=C1)C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241953	0	45	-1.0	-42.13	352.12	6.63	-35.50
O=C(NC(C1=CC=CC=C1)C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241953	1	45	-1.0	-42.12	352.18	6.65	-35.47
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241954	0	50	0.0	-69.65	388.29	6.35	-63.30
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241954	1	50	0.0	-69.66	388.35	6.36	-63.30
CC(C)CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020241955	0	50	-1.0	-42.96	384.23	7.17	-35.79
CC(C)CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020241955	1	50	-1.0	-43.01	384.29	7.19	-35.82
O=C(NCC1CCCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241956	0	48	-1.0	-43.52	366.18	6.81	-36.71
O=C(NCC1CCCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241956	1	48	-1.0	-43.53	366.23	6.83	-36.70
O=C(NC1CC[N@@H+]2CCCC2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241957	0	48	0.0	-65.99	350.79	5.33	-60.66
O=C(NC1CC[N@H+]2CCCC2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241957	1	48	0.0	-66.09	350.70	5.34	-60.75
O=C(NC1CC[N@@H+]2CCCC2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241957	1	48	0.0	-66.02	350.85	5.34	-60.68
O=C(NC1CC[N@H+]2CCCC2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241957	1	48	0.0	-66.04	350.76	5.35	-60.69
CC1=CSC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020241958	0	40	-1.0	-46.78	337.99	2.92	-43.86
CC1=CSC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020241958	1	40	-1.0	-46.80	338.05	2.93	-43.87
O=C(NC1CCCC2=C1C=CO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241959	0	42	-1.0	-45.77	329.48	4.26	-41.51
O=C(NC1CCCC2=C1C=CO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241959	1	42	-1.0	-45.76	329.53	4.27	-41.49
O=C(NCCCNC1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241960	0	45	-1.0	-46.12	361.31	3.24	-42.88
O=C(NCCCNC1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241960	1	45	-1.0	-46.11	361.37	3.25	-42.86
O=C(NC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1)C1=CC=CO1	REAL300020241961	0	49	-1.0	-47.53	406.17	4.47	-43.06
O=C(NC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1)C1=CC=CO1	REAL300020241961	1	49	-1.0	-47.55	406.23	4.48	-43.07
O=C(NCCC1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241962	0	47	-1.0	-42.00	352.19	5.38	-36.62
O=C(NCCC1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241962	1	47	-1.0	-42.05	352.25	5.40	-36.65
NS(=O)(=O)C1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241963	0	43	-1.0	-48.83	364.10	-0.60	-49.43
NS(=O)(=O)C1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241963	1	43	-1.0	-48.84	364.16	-0.58	-49.42
O=C(NCC1=CC=C(N2CCSCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241964	0	51	-1.0	-42.70	404.01	5.60	-37.10
O=C(NCC1=CC=C(N2CCSCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241964	1	51	-1.0	-42.70	404.07	5.62	-37.08
O=C(NCC1=CC(Br)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241965	0	35	-1.0	-40.92	321.61	4.16	-36.76
O=C(NCC1=CC(Br)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241965	1	35	-1.0	-40.92	321.67	4.18	-36.74
COC(=O)C1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241966	0	47	-1.0	-47.71	386.22	5.88	-41.83
COC(=O)C1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241966	1	47	-1.0	-47.71	386.27	5.90	-41.81
CC(C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020241967	0	50	-1.0	-43.44	384.58	6.86	-36.58
CC(C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020241967	1	50	-1.0	-43.49	384.64	6.87	-36.62
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C2OCCOC2=C1	REAL300020241968	0	47	-1.0	-45.04	371.88	4.44	-40.60
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C2OCCOC2=C1	REAL300020241968	1	47	-1.0	-45.03	371.93	4.45	-40.58
CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Br)C=C1	REAL300020241969	0	44	-1.0	-41.20	362.99	6.24	-34.96
CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Br)C=C1	REAL300020241969	1	44	-1.0	-41.23	363.05	6.26	-34.97
CCOC1=CC=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OCC	REAL300020241970	0	55	-1.0	-45.31	429.84	6.32	-38.99
CCOC1=CC=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OCC	REAL300020241970	1	55	-1.0	-45.31	429.90	6.34	-38.97
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020241971	0	54	-1.0	-44.92	419.49	9.23	-35.69
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020241971	1	54	-1.0	-44.93	419.55	9.24	-35.69
O=C(NCC1=CC=CC(OC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241972	0	49	-1.0	-44.62	398.92	7.30	-37.32
O=C(NCC1=CC=CC(OC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241972	1	49	-1.0	-44.61	398.98	7.32	-37.29
CCOC(=O)NC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC(C)C	REAL300020241973	0	54	-1.0	-44.59	420.69	3.25	-41.34
CCOC(=O)NC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC(C)C	REAL300020241973	1	54	-1.0	-44.65	420.75	3.27	-41.38
CCN(CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300020241974	0	57	-1.0	-45.85	435.71	5.49	-40.36
CCN(CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300020241974	1	57	-1.0	-45.89	435.77	5.50	-40.39
CC(C)(C)OC(=O)N(CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC1	REAL300020241975	0	58	-1.0	-47.35	440.23	5.83	-41.52
CC(C)(C)OC(=O)N(CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC1	REAL300020241975	1	58	-1.0	-47.34	440.29	5.84	-41.50
O=C(NCCC1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241976	0	47	-1.0	-45.97	377.52	7.46	-38.51
O=C(NCCC1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241976	1	47	-1.0	-46.02	377.58	7.48	-38.54
CCC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020241977	0	41	-1.0	-42.58	343.50	5.11	-37.47
CCC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020241977	1	41	-1.0	-42.60	343.55	5.12	-37.48
O=C(NCC1CCN(CC(F)(F)F)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241978	0	46	-1.0	-43.82	367.11	2.36	-41.46
O=C(NCC1CCN(CC(F)(F)F)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241978	1	46	-1.0	-43.82	367.17	2.37	-41.45
O=C(NCC1CC[N@@H+](C2CC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241979	0	48	0.0	-63.97	364.79	5.30	-58.67
O=C(NCC1CC[N@H+](C2CC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241979	1	48	0.0	-65.22	364.97	5.23	-59.99
O=C(NCC1CC[N@@H+](C2CC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241979	1	48	0.0	-63.96	364.85	5.32	-58.64
O=C(NCC1CC[N@H+](C2CC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241979	1	48	0.0	-65.20	365.02	5.25	-59.95
O=C(NCC1CCN(C2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241980	0	50	-1.0	-44.30	383.10	4.75	-39.55
O=C(NCC1CCN(C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241980	1	50	-1.0	-44.28	383.16	4.76	-39.52
O=C(NCC1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241981	0	48	-1.0	-46.52	394.22	6.12	-40.40
O=C(NCC1=CN(CC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241981	1	48	-1.0	-46.51	394.16	6.11	-40.40
O=C(NCC1CCS(=O)(=O)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241982	0	41	-1.0	-51.66	334.46	0.15	-51.51
O=C(NCC1CCS(=O)(=O)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241982	1	41	-1.0	-51.61	334.51	0.17	-51.44
CC1=CC2=C(CC(C)(C)CC2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020241983	0	51	-1.0	-45.56	387.09	5.97	-39.59
CC1=CC2=C(CC(C)(C)CC2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020241983	1	51	-1.0	-45.53	387.14	5.99	-39.54
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NN=CN1C	REAL300020241984	0	40	-1.0	-47.62	324.27	4.17	-43.45
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NN=CN1C	REAL300020241984	1	40	-1.0	-47.69	324.33	4.18	-43.51
CCN1C=NN=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241985	0	40	-1.0	-49.82	326.42	4.43	-45.39
CCN1C=NN=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241985	1	40	-1.0	-49.84	326.47	4.45	-45.39
O=C(NCC1=NN=CN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241986	0	44	-1.0	-44.08	361.38	6.68	-37.40
O=C(NCC1=NN=CN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241986	1	44	-1.0	-44.11	361.43	6.70	-37.41
COC(=O)NC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241987	0	46	-1.0	-45.77	376.83	2.69	-43.08
COC(=O)NC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241987	1	46	-1.0	-45.75	376.89	2.70	-43.05
CN(CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300020241988	0	54	-1.0	-48.22	417.93	4.57	-43.65
CN(CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300020241988	1	54	-1.0	-48.26	417.99	4.58	-43.68
CCS(=O)(=O)N(C)CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241989	0	48	-1.0	-50.67	388.82	1.08	-49.59
CCS(=O)(=O)N(C)CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241989	1	48	-1.0	-50.67	388.88	1.10	-49.57
CN1C=CN=C1C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(F)=C1	REAL300020241990	0	48	-1.0	-50.30	392.90	6.55	-43.75
CN1C=CN=C1C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(F)=C1	REAL300020241990	1	48	-1.0	-50.28	392.96	6.56	-43.72
CN1C=CN=C1C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1F	REAL300020241991	0	48	-1.0	-49.03	386.73	6.44	-42.59
CN1C=CN=C1C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1F	REAL300020241991	1	48	-1.0	-49.02	386.79	6.46	-42.56
CC1=CC=CC(OCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020241992	0	48	-1.0	-44.25	382.78	5.48	-38.77
CC1=CC=CC(OCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020241992	1	48	-1.0	-44.25	382.84	5.49	-38.76
O=C(NC1CCS(=O)(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241993	0	45	-1.0	-50.14	361.79	1.86	-48.28
O=C(NC1CCS(=O)(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241993	1	45	-1.0	-50.18	361.85	1.88	-48.30
O=C(NCC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241994	0	41	-1.0	-42.08	348.63	5.45	-36.63
O=C(NCC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241994	1	41	-1.0	-42.08	348.69	5.47	-36.61
CN(CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020241995	0	46	-1.0	-45.36	361.59	5.13	-40.23
CN(CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020241995	1	46	-1.0	-45.36	361.65	5.15	-40.21
CC1=CC=C(S(=O)(=O)NCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020241996	0	49	-1.0	-49.97	407.57	1.47	-48.50
CC1=CC=C(S(=O)(=O)NCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020241996	1	49	-1.0	-49.95	407.63	1.49	-48.46
CC1=NC=C2CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)CCC2=N1	REAL300020241997	0	46	-1.0	-45.32	362.10	4.22	-41.10
CC1=NC=C2CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)CCC2=N1	REAL300020241997	1	46	-1.0	-45.32	362.15	4.23	-41.09
O=C(NCCOCC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241998	0	38	-1.0	-45.40	325.02	1.95	-43.45
O=C(NCCOCC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241998	1	38	-1.0	-45.37	325.07	1.96	-43.41
O=C(NCC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020241999	0	38	-1.0	-41.89	316.33	4.52	-37.37
O=C(NCC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020241999	1	38	-1.0	-41.89	316.39	4.53	-37.36
O=C(NCC1=CC(F)=CC(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242000	0	38	-1.0	-41.66	322.75	4.58	-37.08
O=C(NCC1=CC(F)=CC(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242000	1	38	-1.0	-41.65	322.81	4.60	-37.05
COC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1O	REAL300020242001	0	43	-1.0	-44.58	350.19	1.58	-43.00
COC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1O	REAL300020242001	1	43	-1.0	-44.60	350.24	1.59	-43.01
CC(=O)NC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242002	0	45	-1.0	-47.88	366.26	3.34	-44.54
CC(=O)NC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242002	1	45	-1.0	-47.92	366.31	3.36	-44.56
O=C(NCC1=CC=C(F)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242003	0	41	-1.0	-42.53	346.45	5.93	-36.60
O=C(NCC1=CC=C(F)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242003	1	41	-1.0	-42.57	346.51	5.95	-36.62
CC(C)(C)C1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242004	0	53	-1.0	-43.43	407.61	7.54	-35.89
CC(C)(C)C1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242004	1	53	-1.0	-43.49	407.67	7.56	-35.93
CC(C)OC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242005	0	48	-1.0	-43.07	379.24	5.30	-37.77
CC(C)OC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242005	1	48	-1.0	-43.07	379.29	5.31	-37.76
O=C(NCCCN1C=NC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242006	0	40	-1.0	-48.38	328.72	4.65	-43.73
O=C(NCCCN1C=NC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242006	1	40	-1.0	-48.35	328.66	4.63	-43.72
COC1=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2C=C1	REAL300020242007	0	48	-1.0	-46.21	380.30	5.92	-40.29
COC1=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2C=C1	REAL300020242007	1	48	-1.0	-46.24	380.35	5.93	-40.31
COC1=CC=CC=C1C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NC=CN1C	REAL300020242008	0	52	-1.0	-50.32	409.18	6.04	-44.28
COC1=CC=CC=C1C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NC=CN1C	REAL300020242008	1	52	-1.0	-50.34	409.24	6.05	-44.29
CC1=CC=C(C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)N2CCOCC2)O1	REAL300020242009	0	54	-1.0	-42.77	416.76	3.15	-39.62
CC1=CC=C(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)N2CCOCC2)O1	REAL300020242009	1	54	-1.0	-42.78	416.82	3.16	-39.62
CNS(=O)(=O)CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242010	0	49	-1.0	-51.95	409.39	1.32	-50.63
CNS(=O)(=O)CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242010	1	49	-1.0	-51.97	409.44	1.33	-50.64
O=C(NCC1=CC=CC=C1CN1C=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242011	0	48	-1.0	-48.67	385.38	6.36	-42.31
O=C(NCC1=CC=CC=C1CN1C=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242011	1	48	-1.0	-48.63	385.32	6.34	-42.29
O=C(NCCC1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242012	0	47	-1.0	-47.45	391.88	4.91	-42.54
O=C(NCCC1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242012	1	47	-1.0	-47.45	391.94	4.92	-42.53
O=C(NCCCCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242013	0	47	-1.0	-43.76	374.41	6.78	-36.98
O=C(NCCCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242013	1	47	-1.0	-43.78	374.46	6.79	-36.99
CC1=NC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020242014	0	37	-1.0	-44.55	316.48	2.14	-42.41
CC1=NC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020242014	1	37	-1.0	-44.61	316.54	2.16	-42.45
O=C(NC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C1CC1	REAL300020242015	0	49	-1.0	-46.99	396.83	4.94	-42.05
O=C(NC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C1CC1	REAL300020242015	1	49	-1.0	-46.96	396.88	4.95	-42.01
O=C(NCC1(C2=CC=CC=C2)CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242016	0	51	-1.0	-41.60	384.04	8.13	-33.47
O=C(NCC1(C2=CC=CC=C2)CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242016	1	51	-1.0	-41.59	384.10	8.14	-33.45
CC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020242017	0	41	-1.0	-41.89	336.65	5.15	-36.74
CC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020242017	1	41	-1.0	-41.92	336.70	5.16	-36.76
CCOC1=CC=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242018	0	48	-1.0	-42.91	378.72	5.51	-37.40
CCOC1=CC=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242018	1	48	-1.0	-42.88	378.78	5.53	-37.35
CNS(=O)(=O)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020242019	0	43	-1.0	-48.56	378.93	-0.24	-48.80
CNS(=O)(=O)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020242019	1	43	-1.0	-48.51	378.99	-0.22	-48.73
O=C(NC(C1=CC=CS1)C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242020	0	42	-1.0	-41.44	343.73	5.72	-35.72
O=C(NC(C1=CC=CS1)C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242020	1	42	-1.0	-41.47	343.78	5.73	-35.74
CCC1CCCCC1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242021	0	47	-1.0	-41.83	345.59	6.02	-35.81
CCC1CCCCC1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242021	1	47	-1.0	-41.82	345.65	6.04	-35.78
O=C(NCCOC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242022	0	42	-1.0	-44.29	346.21	4.14	-40.15
O=C(NCCOC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242022	1	42	-1.0	-44.27	346.27	4.16	-40.11
COC(=O)CCCCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242023	0	49	-1.0	-47.30	391.45	5.35	-41.95
COC(=O)CCCCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242023	1	49	-1.0	-47.30	391.51	5.36	-41.94
O=C(NCCC1=CC=C(N2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242024	0	56	-1.0	-44.06	424.35	6.50	-37.56
O=C(NCCC1=CC=C(N2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242024	1	56	-1.0	-44.05	424.40	6.52	-37.53
CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020242025	0	38	-1.0	-42.22	322.02	4.34	-37.88
CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020242025	1	38	-1.0	-42.21	322.08	4.35	-37.86
CC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242026	0	41	-1.0	-42.08	331.33	5.11	-36.97
CC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242026	1	41	-1.0	-42.07	331.38	5.13	-36.94
O=C(NCCCN1C=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242027	0	41	-1.0	-46.62	333.96	3.20	-43.42
O=C(NCCCN1C=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242027	1	41	-1.0	-46.61	333.90	3.19	-43.42
CCC(=O)NC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242028	0	48	-1.0	-47.53	386.56	4.15	-43.38
CCC(=O)NC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242028	1	48	-1.0	-47.52	386.62	4.17	-43.35
O=C(NC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1)C1CCC1	REAL300020242029	0	52	-1.0	-46.99	413.27	5.43	-41.56
O=C(NC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1)C1CCC1	REAL300020242029	1	52	-1.0	-46.98	413.33	5.45	-41.53
CC(=O)NC1=CC=CC(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242030	0	48	-1.0	-49.35	383.72	4.16	-45.19
CC(=O)NC1=CC=CC(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242030	1	48	-1.0	-49.34	383.77	4.18	-45.16
COCC(=O)NC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242031	0	49	-1.0	-50.43	399.29	3.44	-46.99
COCC(=O)NC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242031	1	49	-1.0	-50.39	399.34	3.46	-46.93
O=C(NC1CC[NH+](CCC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242032	0	57	0.0	-70.51	429.76	8.38	-62.13
O=C(NC1CC[NH+](CCC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242032	1	57	0.0	-70.52	429.82	8.40	-62.12
C[NH+](C)CCN1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242033	0	55	0.0	-68.00	404.36	3.67	-64.33
C[NH+](C)CCN1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242033	1	55	0.0	-68.03	404.42	3.68	-64.35
CN(C)CC[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242033	1	55	0.0	-66.69	403.81	3.39	-63.30
O=C(NC1CC[NH+](CC2=CC=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242034	0	53	0.0	-67.30	403.14	5.73	-61.57
O=C(NC1CC[NH+](CC2=CC=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242034	1	53	0.0	-67.35	403.20	5.74	-61.61
O=C(NC1CCN(CC2=CC=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242034	1	52	-1.0	-44.73	400.02	3.27	-41.46
O=C(NC1CCN(CC2=CC=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242034	1	52	-1.0	-44.74	400.07	3.28	-41.46
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242035	0	57	0.0	-69.45	423.88	8.11	-61.34
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242035	1	57	0.0	-69.45	423.93	8.13	-61.32
COC1=CC=CC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242036	0	45	-1.0	-46.02	360.91	4.52	-41.50
COC1=CC=CC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242036	1	45	-1.0	-46.00	360.97	4.53	-41.47
O=C(NCC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242037	0	51	-1.0	-43.28	400.84	8.44	-34.84
O=C(NCC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242037	1	51	-1.0	-43.29	400.90	8.45	-34.84
CC1=CC=CC(C2(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)CCCCC2)=C1	REAL300020242038	0	57	-1.0	-42.16	416.85	8.49	-33.67
CC1=CC=CC(C2(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)CCCCC2)=C1	REAL300020242038	1	57	-1.0	-42.16	416.90	8.51	-33.65
O=C(NC1COC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242039	0	43	-1.0	-44.71	341.42	4.41	-40.30
O=C(NC1COC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242039	1	43	-1.0	-44.69	341.47	4.43	-40.26
O=C(NC(C1=CC=CC=C1)C1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242040	0	54	-1.0	-41.76	395.34	8.20	-33.56
O=C(NC(C1=CC=CC=C1)C1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242040	1	54	-1.0	-41.84	395.40	8.22	-33.62
CCCOCC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242041	0	51	-1.0	-41.84	402.96	6.09	-35.75
CCCOCC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242041	1	51	-1.0	-41.85	403.02	6.11	-35.74
O=C(NC1CC[N@@H+]2CCCCC12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242042	0	48	0.0	-63.65	354.07	5.11	-58.54
O=C(NC1CC[N@H+]2CCCCC12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242042	1	48	0.0	-64.84	353.94	5.10	-59.74
O=C(NC1CC[N@@H+]2CCCCC12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242042	1	48	0.0	-63.64	354.13	5.12	-58.52
O=C(NC1CC[N@H+]2CCCCC12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242042	1	48	0.0	-64.85	354.00	5.12	-59.73
CCCCNC(=O)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242043	0	54	-1.0	-46.05	430.86	5.11	-40.94
CCCCNC(=O)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242043	1	54	-1.0	-46.08	430.92	5.12	-40.96
COC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OCC(N)=O	REAL300020242044	0	50	-1.0	-55.26	407.25	1.60	-53.66
COC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OCC(N)=O	REAL300020242044	1	50	-1.0	-55.28	407.31	1.61	-53.67
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300020242045	0	52	-1.0	-50.10	414.28	5.76	-44.34
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300020242045	1	52	-1.0	-50.16	414.34	5.78	-44.38
CC1=CC=C(SCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242046	0	45	-1.0	-44.07	371.62	6.34	-37.73
CC1=CC=C(SCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242046	1	45	-1.0	-44.03	371.67	6.35	-37.68
CS(=O)(=O)NC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242047	0	46	-1.0	-48.73	379.95	1.20	-47.53
CS(=O)(=O)NC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242047	1	46	-1.0	-48.70	380.00	1.22	-47.48
CC(C)CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(=O)N(C)C	REAL300020242048	0	50	-1.0	-44.28	368.48	3.14	-41.14
CC(C)CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(=O)N(C)C	REAL300020242048	1	50	-1.0	-44.28	368.54	3.16	-41.12
CC(CC1=CC=CC=C1Cl)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242049	0	44	-1.0	-42.34	360.08	7.30	-35.04
CC(CC1=CC=CC=C1Cl)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242049	1	44	-1.0	-42.32	360.14	7.31	-35.01
O=C(NC(C1=CC=CC=C1)C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242050	0	48	-1.0	-44.38	391.09	8.54	-35.84
O=C(NC(C1=CC=CC=C1)C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242050	1	48	-1.0	-44.37	391.15	8.56	-35.81
CCNC(=O)C1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242051	0	48	-1.0	-48.17	387.89	3.56	-44.61
CCNC(=O)C1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242051	1	48	-1.0	-48.21	387.95	3.58	-44.63
CCOC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020242052	0	49	-1.0	-45.01	390.53	4.57	-40.44
CCOC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020242052	1	49	-1.0	-45.02	390.58	4.58	-40.44
O=C(NCC1=CC=C2CCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242053	0	45	-1.0	-42.48	355.44	6.36	-36.12
O=C(NCC1=CC=C2CCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242053	1	45	-1.0	-42.46	355.49	6.37	-36.09
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC1	REAL300020242054	0	60	0.0	-70.10	450.68	8.83	-61.27
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020242054	1	60	0.0	-70.11	450.73	8.84	-61.27
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242055	0	60	0.0	-66.01	439.77	8.38	-57.63
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242055	1	60	0.0	-65.88	439.77	8.38	-57.50
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242055	1	60	0.0	-66.03	439.83	8.40	-57.63
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242055	1	60	0.0	-65.86	439.83	8.40	-57.46
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242056	0	60	0.0	-61.56	433.52	8.61	-52.95
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242056	1	60	0.0	-61.82	437.26	9.60	-52.22
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242056	1	60	0.0	-61.57	433.58	8.63	-52.94
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242056	1	60	0.0	-61.87	437.32	9.62	-52.25
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242058	0	59	0.0	-67.57	441.20	6.39	-61.18
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242058	1	59	0.0	-67.61	441.26	6.40	-61.21
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C1	REAL300020242059	0	60	0.0	-68.85	450.74	8.79	-60.06
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C1	REAL300020242059	1	60	0.0	-67.90	450.69	8.81	-59.09
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C1	REAL300020242059	1	60	0.0	-68.84	450.79	8.81	-60.03
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C1	REAL300020242059	1	60	0.0	-67.93	450.75	8.82	-59.11
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242060	0	60	0.0	-55.53	437.66	9.07	-46.46
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242060	1	60	0.0	-55.64	435.48	8.80	-46.84
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242060	1	60	0.0	-55.56	437.72	9.08	-46.48
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242060	1	60	0.0	-55.66	435.54	8.81	-46.85
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242061	0	56	0.0	-62.31	416.38	7.76	-54.55
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242061	1	56	0.0	-62.05	412.39	8.26	-53.79
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242061	1	56	0.0	-62.36	416.43	7.77	-54.59
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242061	1	56	0.0	-62.08	412.45	8.27	-53.81
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242062	0	54	0.0	-67.57	418.08	6.14	-61.43
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242062	1	54	0.0	-67.54	418.14	6.16	-61.38
O=C(NCC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242063	0	42	-1.0	-42.24	355.90	4.24	-38.00
O=C(NCC1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242063	1	42	-1.0	-42.26	355.96	4.26	-38.00
CC1=CSC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020242064	0	37	-1.0	-42.79	316.49	2.16	-40.63
CC1=CSC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020242064	1	37	-1.0	-42.80	316.54	2.17	-40.63
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NC2=CC=CC=C2N1C(F)F	REAL300020242065	0	47	-1.0	-47.45	383.40	5.44	-42.01
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NC2=CC=CC=C2N1C(F)F	REAL300020242065	1	47	-1.0	-47.38	383.45	5.46	-41.92
CC1=CC=C(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2CC2)C=C1	REAL300020242066	0	48	-1.0	-41.78	370.57	7.78	-34.00
CC1=CC=C(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2CC2)C=C1	REAL300020242066	1	48	-1.0	-41.80	370.63	7.79	-34.01
O=C(NCC1(C2=CC=CC=C2)CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242067	0	48	-1.0	-42.14	371.12	6.84	-35.30
O=C(NCC1(C2=CC=CC=C2)CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242067	1	48	-1.0	-42.13	371.18	6.86	-35.27
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242068	0	54	0.0	-68.66	418.17	6.12	-62.54
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242068	1	54	0.0	-68.70	418.22	6.14	-62.56
O=C(NCC1=CC=CC(OCC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242069	0	51	-1.0	-44.91	413.96	6.04	-38.87
O=C(NCC1=CC=CC(OCC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242069	1	51	-1.0	-44.90	414.02	6.05	-38.85
O=C(NCC1=CC=CC(OCC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242070	0	45	-1.0	-44.50	380.86	5.14	-39.36
O=C(NCC1=CC=CC(OCC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242070	1	45	-1.0	-44.48	380.91	5.15	-39.33
CCN(CC)C(=O)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242071	0	54	-1.0	-47.16	421.31	6.14	-41.02
CCN(CC)C(=O)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242071	1	54	-1.0	-47.16	421.37	6.15	-41.01
CCNC(=O)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242072	0	48	-1.0	-46.39	387.86	3.57	-42.82
CCNC(=O)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242072	1	48	-1.0	-46.41	387.92	3.59	-42.82
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CC1	REAL300020242073	0	55	-1.0	-44.22	421.43	5.70	-38.52
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CC1	REAL300020242073	1	55	-1.0	-44.18	421.49	5.71	-38.47
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=[NH+]2)CC1	REAL300020242073	1	56	0.0	-61.83	422.29	6.01	-55.82
O=C(NCC1=CC=C(N2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242074	0	49	-1.0	-44.56	383.83	4.34	-40.22
O=C(NCC1=CC=C(N2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242074	1	49	-1.0	-44.58	383.89	4.36	-40.22
O=C(NCC1=CC=C(N2CCCC2)[NH+]=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242074	1	50	0.0	-61.36	386.36	4.51	-56.85
O=C(NCC1=CC=NC(N2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242075	0	50	-1.0	-44.25	391.72	2.68	-41.57
O=C(NCC1=CC=NC(N2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242075	1	50	-1.0	-44.23	391.78	2.70	-41.53
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020242076	0	51	-1.0	-44.42	402.19	6.19	-38.23
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020242076	1	51	-1.0	-44.40	402.24	6.20	-38.20
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=[NH+]1	REAL300020242076	1	52	0.0	-60.07	403.45	6.52	-53.55
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=N2)CC1	REAL300020242077	0	55	0.0	-65.78	419.84	4.93	-60.85
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=N2)CC1	REAL300020242077	1	55	0.0	-65.74	419.90	4.94	-60.80
CN1CCN(C2=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=N2)CC1	REAL300020242077	1	54	-1.0	-43.74	416.94	2.55	-41.19
CN1CCN(C2=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=N2)CC1	REAL300020242077	1	54	-1.0	-43.82	416.99	2.56	-41.26
O=C(NCC1=CC=C(N2CCCCCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242078	0	55	-1.0	-44.01	411.85	5.50	-38.51
O=C(NCC1=CC=C(N2CCCCCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242078	1	55	-1.0	-44.03	411.91	5.52	-38.51
O=C(NCC1=CC=C(N2CCCCCC2)[NH+]=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242078	1	56	0.0	-60.81	413.86	5.77	-55.04
CC1CN(C2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CCO1	REAL300020242079	0	53	-1.0	-44.24	413.71	2.86	-41.38
CC1CN(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CCO1	REAL300020242079	1	53	-1.0	-44.28	413.76	2.88	-41.40
O=C(NCC1=CC=C(N2CCCCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242080	0	52	-1.0	-44.40	400.58	5.09	-39.31
O=C(NCC1=CC=C(N2CCCCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242080	1	52	-1.0	-44.37	400.64	5.11	-39.26
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CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300020242110	0	44	-1.0	-41.35	358.43	6.14	-35.21
CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300020242110	1	44	-1.0	-41.37	358.48	6.16	-35.21
CC(C)C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300020242111	0	47	-1.0	-41.54	374.73	6.64	-34.90
CC(C)C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300020242111	1	47	-1.0	-41.51	374.79	6.66	-34.85
CN(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242112	0	49	-1.0	-51.85	396.03	3.48	-48.37
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C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CC1	REAL300020242117	0	55	0.0	-70.12	419.79	4.90	-65.22
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CC1	REAL300020242117	1	55	0.0	-70.14	419.85	4.91	-65.23
CN1CCN(C2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CC1	REAL300020242117	1	54	-1.0	-45.00	416.89	2.52	-42.48
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CC(=O)NC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242121	1	45	-1.0	-47.75	366.05	3.37	-44.38
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CCC(C)C(=O)NC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242135	0	54	-1.0	-46.78	424.48	5.46	-41.32
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COC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020242157	0	41	-1.0	-43.08	337.01	1.16	-41.92
COC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020242157	1	41	-1.0	-43.06	337.07	1.17	-41.89
CCC(CC)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCOCC1	REAL300020242158	0	59	-1.0	-42.28	415.87	5.90	-36.38
CCC(CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCOCC1	REAL300020242158	1	59	-1.0	-42.24	415.93	5.91	-36.33
CCC(CC)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCOCC1	REAL300020242158	1	60	0.0	-64.33	411.72	5.81	-58.52
CCC(CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCOCC1	REAL300020242158	1	60	0.0	-64.34	411.78	5.82	-58.52
C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242159	0	55	0.0	-61.16	393.76	3.60	-57.56
C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242159	1	55	0.0	-61.23	393.81	3.62	-57.61
CCC(CC)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCCC1	REAL300020242160	0	59	0.0	-63.17	390.41	5.02	-58.15
CCC(CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCCC1	REAL300020242160	1	59	0.0	-63.17	390.46	5.03	-58.14
CC(C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCN(C)CC1	REAL300020242161	0	58	0.0	-61.73	406.66	5.13	-56.60
CC(C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCN(C)CC1	REAL300020242161	1	58	0.0	-61.74	406.72	5.14	-56.60
CC[NH+](CC)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC(C)C	REAL300020242162	0	58	0.0	-63.34	410.59	6.55	-56.79
CC[NH+](CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC(C)C	REAL300020242162	1	58	0.0	-63.38	410.65	6.57	-56.81
CC1=NNC=C1CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242163	0	44	-1.0	-46.60	353.47	3.01	-43.59
CC1=NNC=C1CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242163	1	44	-1.0	-46.60	353.53	3.03	-43.57
O=C(NC1CCN(C(=O)C2=COC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242164	0	49	-1.0	-48.84	384.78	3.80	-45.04
O=C(NC1CCN(C(=O)C2=COC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242164	1	49	-1.0	-48.85	384.84	3.82	-45.03
COC1=CC=C(OC)C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242165	0	46	-1.0	-45.46	367.83	3.06	-42.40
COC1=CC=C(OC)C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242165	1	46	-1.0	-45.42	367.89	3.08	-42.34
O=C(NC1CCN(C(=O)C2CC2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242166	0	49	-1.0	-46.06	377.84	4.48	-41.58
O=C(NC1CCN(C(=O)C2CC2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242166	1	49	-1.0	-46.10	377.90	4.49	-41.61
O=C(NCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300020242167	0	45	-1.0	-46.47	383.22	3.41	-43.06
O=C(NCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300020242167	1	45	-1.0	-46.48	383.27	3.43	-43.05
O=C(NCCC1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242168	0	40	-1.0	-46.04	326.31	3.45	-42.59
O=C(NCCC1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242168	1	40	-1.0	-46.03	326.25	3.43	-42.60
O=C(NCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1Cl	REAL300020242169	0	45	-1.0	-49.04	379.03	3.40	-45.64
O=C(NCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1Cl	REAL300020242169	1	45	-1.0	-49.01	379.08	3.42	-45.59
CC1=CC=C(C(=O)NCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020242170	0	48	-1.0	-48.88	393.19	3.60	-45.28
CC1=CC=C(C(=O)NCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020242170	1	48	-1.0	-48.84	393.24	3.61	-45.23
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C12CC3CC(CC(C3)C1)C2	REAL300020242171	0	55	-1.0	-41.90	382.90	7.24	-34.66
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C12CC3CC(CC(C3)C1)C2	REAL300020242171	1	55	-1.0	-41.96	382.95	7.25	-34.71
CCOC(=O)CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242172	0	43	-1.0	-45.29	348.83	3.92	-41.37
CCOC(=O)CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242172	1	43	-1.0	-45.28	348.88	3.94	-41.34
CC1(C)C2CCC1(C)C(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020242173	0	51	-1.0	-42.42	363.00	6.31	-36.11
CC1(C)C2CCC1(C)C(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020242173	1	51	-1.0	-42.42	363.06	6.33	-36.09
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COC(=O)C1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC	REAL300020242175	0	48	-1.0	-48.63	392.06	5.15	-43.48
COC(=O)C1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC	REAL300020242175	1	48	-1.0	-48.60	392.11	5.17	-43.43
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CC1=CC=C(OCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242177	0	45	-1.0	-43.34	361.22	4.75	-38.59
CC1=CC=C(OCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242177	1	45	-1.0	-43.35	361.28	4.76	-38.59
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COC1=CC=C(F)C=C1C(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242231	0	45	-1.0	-44.81	361.10	4.76	-40.05
COC1=CC=C(F)C=C1C(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242231	1	45	-1.0	-44.85	361.15	4.78	-40.07
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CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242233	0	52	0.0	-60.71	384.15	5.87	-54.84
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242233	1	52	0.0	-60.73	384.20	5.88	-54.85
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CN1C=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020242234	1	41	-1.0	-47.00	334.22	3.00	-44.00
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COC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020242237	0	42	-1.0	-45.83	345.65	3.81	-42.02
COC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020242237	1	42	-1.0	-45.84	345.71	3.83	-42.01
CC(C)NC(=O)NC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242238	0	53	-1.0	-47.90	423.22	3.62	-44.28
CC(C)NC(=O)NC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242238	1	53	-1.0	-47.95	423.28	3.64	-44.31
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CN1N=CC2=C1CCCC2NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242239	1	45	-1.0	-52.01	348.97	3.74	-48.27
CC1=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C	REAL300020242240	0	44	-1.0	-46.31	346.97	3.38	-42.93
CC1=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C	REAL300020242240	1	44	-1.0	-46.28	347.03	3.39	-42.89
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CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(Cl)=C1	REAL300020242242	0	41	-1.0	-42.69	344.16	5.80	-36.89
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(Cl)=C1	REAL300020242242	1	41	-1.0	-42.69	344.21	5.81	-36.88
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300020242243	0	41	-1.0	-41.75	344.10	5.81	-35.94
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300020242243	1	41	-1.0	-41.70	344.16	5.82	-35.88
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020242244	0	51	-1.0	-44.65	401.51	8.68	-35.97
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020242244	1	51	-1.0	-44.64	401.57	8.69	-35.95
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Br)C=C1	REAL300020242245	0	41	-1.0	-41.68	348.67	5.91	-35.77
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Br)C=C1	REAL300020242245	1	41	-1.0	-41.68	348.72	5.93	-35.75
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCCCC1	REAL300020242246	0	53	0.0	-59.34	374.13	5.73	-53.61
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300020242246	1	53	0.0	-59.39	374.19	5.74	-53.65
CCC1=CC=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242247	0	47	-1.0	-42.05	370.26	6.73	-35.32
CCC1=CC=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242247	1	47	-1.0	-42.03	370.32	6.75	-35.28
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300020242248	0	47	-1.0	-44.70	373.31	7.54	-37.16
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300020242248	1	47	-1.0	-44.70	373.37	7.56	-37.14
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300020242249	0	41	-1.0	-43.65	359.33	6.25	-37.40
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300020242249	1	41	-1.0	-43.65	359.39	6.27	-37.38
CC(C)C1=CC=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242250	0	50	-1.0	-41.85	387.54	7.20	-34.65
CC(C)C1=CC=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242250	1	50	-1.0	-41.88	387.60	7.22	-34.66
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1Br	REAL300020242251	0	41	-1.0	-43.64	344.14	5.86	-37.78
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1Br	REAL300020242251	1	41	-1.0	-43.64	344.20	5.87	-37.77
CC(C)C1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242252	0	50	-1.0	-43.52	391.63	7.15	-36.37
CC(C)C1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242252	1	50	-1.0	-43.51	391.69	7.16	-36.35
COC1=CC=CC=C1C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCCC1	REAL300020242253	0	58	0.0	-62.39	427.74	7.30	-55.09
COC1=CC=CC=C1C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCCC1	REAL300020242253	1	58	0.0	-62.42	427.80	7.32	-55.10
COC1=CC=CC=C1C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCCC1	REAL300020242253	1	57	-1.0	-44.89	419.98	4.09	-40.80
C[NH+](C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC1=CC=CC=C1	REAL300020242254	0	53	0.0	-67.46	390.38	7.73	-59.73
C[NH+](C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL300020242254	1	53	0.0	-67.49	390.44	7.75	-59.74
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300020242255	0	44	-1.0	-43.41	366.16	6.28	-37.13
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300020242255	1	44	-1.0	-43.45	366.22	6.30	-37.15
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC(F)=C(Cl)C=C1Cl	REAL300020242256	0	41	-1.0	-41.46	363.08	6.34	-35.12
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC(F)=C(Cl)C=C1Cl	REAL300020242256	1	41	-1.0	-41.46	363.13	6.36	-35.10
C[NH+](C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(F)=C1	REAL300020242257	0	50	0.0	-72.94	385.55	6.44	-66.50
C[NH+](C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(F)=C1	REAL300020242257	1	50	0.0	-72.90	385.61	6.45	-66.45
CN(C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(F)=C1	REAL300020242257	1	49	-1.0	-44.11	378.82	3.80	-40.31
CN(C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(F)=C1	REAL300020242257	1	49	-1.0	-44.12	378.87	3.81	-40.31
COC1=CC=CC(C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)[NH+](C)C)=C1	REAL300020242258	0	54	0.0	-69.69	408.64	5.67	-64.02
COC1=CC=CC(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[NH+](C)C)=C1	REAL300020242258	1	54	0.0	-69.72	408.69	5.69	-64.03
CCC1=CC=C(C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)[NH+](C)C)C=C1	REAL300020242259	0	56	0.0	-67.08	422.20	7.80	-59.28
CCC1=CC=C(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[NH+](C)C)C=C1	REAL300020242259	1	56	0.0	-67.09	422.25	7.82	-59.27
O=C(NCCN1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242260	0	59	0.0	-69.71	442.71	5.67	-64.04
O=C(NCCN1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242260	1	59	0.0	-69.72	442.76	5.68	-64.04
CC[NH+](CC)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020242261	0	56	0.0	-61.58	401.32	7.75	-53.83
CC[NH+](CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020242261	1	56	0.0	-61.66	401.38	7.77	-53.89
O=C(NCC(C1=CC=CS1)[NH+]1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242262	0	51	0.0	-62.99	388.77	6.16	-56.83
O=C(NCC(C1=CC=CS1)[NH+]1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242262	1	51	0.0	-63.05	388.82	6.17	-56.88
CN(CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020242263	0	49	-1.0	-43.18	383.08	5.90	-37.28
CN(CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020242263	1	49	-1.0	-43.26	383.14	5.91	-37.35
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC2=CC=CC=C21	REAL300020242264	0	47	-1.0	-44.00	368.97	7.47	-36.53
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC2=CC=CC=C21	REAL300020242264	1	47	-1.0	-44.03	369.03	7.49	-36.54
O=C(NC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242265	0	51	0.0	-68.92	388.98	6.76	-62.16
O=C(NC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242265	1	51	0.0	-68.34	391.65	6.94	-61.40
O=C(NC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242265	1	51	0.0	-68.88	389.04	6.78	-62.10
O=C(NC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242265	1	51	0.0	-68.31	391.71	6.95	-61.36
CCN(CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(C)=C1	REAL300020242266	0	52	-1.0	-45.59	405.04	6.74	-38.85
CCN(CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(C)=C1	REAL300020242266	1	52	-1.0	-45.59	405.10	6.76	-38.83
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CS1	REAL300020242267	0	38	-1.0	-42.05	319.01	4.37	-37.68
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CS1	REAL300020242267	1	38	-1.0	-42.06	319.07	4.38	-37.68
CC[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242268	0	47	0.0	-65.40	348.81	4.64	-60.76
CC[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242268	1	47	0.0	-65.38	348.87	4.65	-60.73
COC1=CC=CC=C1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242269	0	45	-1.0	-46.10	359.71	4.56	-41.54
COC1=CC=CC=C1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242269	1	45	-1.0	-46.10	359.76	4.58	-41.52
O=C(NC(C1=CC=CC=C1)C1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242270	0	47	-1.0	-46.17	377.67	6.51	-39.66
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COC1=CC=CC(C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)[NH+]2CCCC2)=C1	REAL300020242271	0	58	0.0	-65.35	431.85	7.58	-57.77
COC1=CC=CC(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[NH+]2CCCC2)=C1	REAL300020242271	1	58	0.0	-65.34	431.90	7.59	-57.75
CN(C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1Cl	REAL300020242272	0	49	-1.0	-44.33	380.97	4.88	-39.45
CN(C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1Cl	REAL300020242272	1	49	-1.0	-44.33	381.02	4.89	-39.44
O=C(NCCCN1CCCCCC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242273	0	51	-1.0	-47.87	388.53	4.66	-43.21
O=C(NCCCN1CCCCCC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242273	1	51	-1.0	-47.90	388.59	4.68	-43.22
O=C(NCCC1=CC=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242274	0	38	-1.0	-43.33	321.63	4.31	-39.02
O=C(NCCC1=CC=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242274	1	38	-1.0	-43.31	321.69	4.32	-38.99
CC1=NC2=CC=CC=C2N1CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242275	0	50	-1.0	-48.41	399.65	6.55	-41.86
CC1=NC2=CC=CC=C2N1CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242275	1	50	-1.0	-48.43	399.70	6.57	-41.86
NS(=O)(=O)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020242276	0	40	-1.0	-49.55	356.50	-1.45	-51.00
NS(=O)(=O)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020242276	1	40	-1.0	-49.57	356.56	-1.43	-51.00
O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242277	0	53	-1.0	-48.14	417.82	2.77	-45.37
O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242277	1	53	-1.0	-48.13	417.88	2.78	-45.35
O=C(NCC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242278	0	51	-1.0	-43.28	400.84	8.44	-34.84
O=C(NCC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242278	1	51	-1.0	-43.29	400.90	8.45	-34.84
O=C(NCC1=CN2C=CC=CC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242279	0	41	-1.0	-50.58	336.88	4.93	-45.65
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CC(CN1C=CN=C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242320	1	41	-1.0	-49.10	331.90	4.95	-44.15
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CCCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020242328	1	47	-1.0	-42.70	363.27	6.37	-36.33
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CC(C)CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020242331	0	50	-1.0	-42.96	384.23	7.17	-35.79
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CC(C)(C)C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300020242341	1	50	-1.0	-41.88	377.16	6.81	-35.07
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COC1=CC=CC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1OC	REAL300020242343	0	49	-1.0	-48.75	390.46	4.47	-44.28
COC1=CC=CC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1OC	REAL300020242343	1	49	-1.0	-48.78	390.52	4.49	-44.29
CC1CC1C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020242344	0	45	-1.0	-43.17	362.71	5.65	-37.52
CC1CC1C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020242344	1	45	-1.0	-43.20	362.77	5.67	-37.53
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COC1=CC=C(C(=O)NCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242346	0	49	-1.0	-48.34	395.90	2.20	-46.14
COC1=CC=C(C(=O)NCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242346	1	49	-1.0	-48.31	395.96	2.22	-46.09
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020242347	0	43	-1.0	-46.86	355.64	5.95	-40.91
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020242347	1	43	-1.0	-46.83	355.70	5.96	-40.87
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CCC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)OC1=CC=CC(C)=C1	REAL300020242349	0	51	-1.0	-42.33	394.21	5.90	-36.43
CCC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)OC1=CC=CC(C)=C1	REAL300020242349	1	51	-1.0	-42.34	394.27	5.91	-36.43
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O=C(NCCSC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242351	0	35	-1.0	-42.99	314.46	3.22	-39.77
O=C(NCCSC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242351	1	35	-1.0	-43.04	314.51	3.24	-39.80
O=C(NCCCCOCCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242352	0	54	-1.0	-44.51	429.92	6.84	-37.67
O=C(NCCCCOCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242352	1	54	-1.0	-44.51	429.98	6.85	-37.66
CCC(CC)C(=O)N1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242353	0	57	-1.0	-45.07	419.63	5.36	-39.71
CCC(CC)C(=O)N1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242353	1	57	-1.0	-45.04	419.69	5.37	-39.67
CC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020242354	0	40	-1.0	-45.93	326.47	3.20	-42.73
CC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020242354	1	40	-1.0	-45.97	326.53	3.22	-42.75
CN(CC1=CC=CC=C1)C(=O)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242355	0	48	-1.0	-45.77	386.07	5.02	-40.75
CN(CC1=CC=CC=C1)C(=O)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242355	1	48	-1.0	-45.75	386.13	5.04	-40.71
O=C(NCCOC1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242356	0	48	-1.0	-44.83	384.84	6.40	-38.43
O=C(NCCOC1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242356	1	48	-1.0	-44.79	384.90	6.42	-38.37
C[NH+](C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300020242357	0	50	0.0	-74.51	385.54	6.44	-68.07
C[NH+](C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300020242357	1	50	0.0	-74.52	385.59	6.46	-68.06
O=C(NCCCOCCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242358	0	51	-1.0	-43.56	408.44	6.06	-37.50
O=C(NCCCOCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242358	1	51	-1.0	-43.59	408.49	6.07	-37.52
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242359	0	53	0.0	-62.28	377.98	5.37	-56.91
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242359	1	53	0.0	-62.26	378.04	5.38	-56.88
COC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300020242360	0	46	-1.0	-44.58	367.81	3.06	-41.52
COC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020242360	1	46	-1.0	-44.58	367.87	3.08	-41.50
CCOC1=C(Cl)C=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020242361	0	49	-1.0	-43.16	410.49	5.24	-37.92
CCOC1=C(Cl)C=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020242361	1	49	-1.0	-43.19	410.54	5.25	-37.94
O=C(NCC1=CC(F)=CC=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242362	0	38	-1.0	-41.90	334.78	5.01	-36.89
O=C(NCC1=CC(F)=CC=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242362	1	38	-1.0	-41.93	334.84	5.03	-36.90
O=C(CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC1=CC=C(Cl)C=C1	REAL300020242363	0	48	-1.0	-48.27	403.40	4.77	-43.50
O=C(CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC1=CC=C(Cl)C=C1	REAL300020242363	1	48	-1.0	-48.29	403.46	4.78	-43.51
O=C(NCC1=CC=C(C2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242364	0	45	-1.0	-45.06	370.17	6.34	-38.72
O=C(NCC1=CC=C(C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242364	1	45	-1.0	-45.05	370.23	6.36	-38.69
O=C(NCC1=NN(C2=CC=CC=C2)C2=C1CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242365	0	52	-1.0	-46.44	416.01	7.34	-39.10
O=C(NCC1=NN(C2=CC=CC=C2)C2=C1CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242365	1	52	-1.0	-46.42	416.06	7.36	-39.06
CC(C)OC1=CC=C(CCC(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242366	0	57	-1.0	-44.54	442.41	7.90	-36.64
CC(C)OC1=CC=C(CCC(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242366	1	57	-1.0	-44.58	442.47	7.91	-36.67
CCCOC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020242367	0	47	-1.0	-44.01	380.36	2.88	-41.13
CCCOC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020242367	1	47	-1.0	-43.98	380.30	2.86	-41.12
O=C(NCC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242368	0	51	-1.0	-45.82	413.94	6.03	-39.79
O=C(NCC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242368	1	51	-1.0	-45.86	413.99	6.05	-39.81
CC(C)OC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242369	0	48	-1.0	-42.82	379.74	5.34	-37.48
CC(C)OC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242369	1	48	-1.0	-42.86	379.80	5.35	-37.51
CN(C)C(=O)COC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242370	0	52	-1.0	-52.21	417.34	5.29	-46.92
CN(C)C(=O)COC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242370	1	52	-1.0	-52.17	417.39	5.31	-46.86
O=C(NCC1=CC=CC=C1OC1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242371	0	52	-1.0	-43.65	402.96	6.68	-36.97
O=C(NCC1=CC=CC=C1OC1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242371	1	52	-1.0	-43.65	403.02	6.70	-36.95
O=C(NCC1=CC=CC(CN2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242372	0	54	-1.0	-43.38	418.79	3.54	-39.84
O=C(NCC1=CC=CC(CN2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242372	1	54	-1.0	-43.40	418.85	3.55	-39.85
CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020242373	0	44	-1.0	-42.00	348.45	5.91	-36.09
CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020242373	1	44	-1.0	-42.05	348.51	5.93	-36.12
CCOC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC(F)F	REAL300020242374	0	49	-1.0	-45.20	400.28	4.85	-40.35
CCOC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC(F)F	REAL300020242374	1	49	-1.0	-45.17	400.34	4.86	-40.31
COC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1OC	REAL300020242375	0	50	-1.0	-44.80	402.18	3.62	-41.18
COC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1OC	REAL300020242375	1	50	-1.0	-44.78	402.23	3.63	-41.15
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(C(C)(C)C)C=C1	REAL300020242376	0	53	-1.0	-42.27	403.59	7.61	-34.66
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(C(C)(C)C)C=C1	REAL300020242376	1	53	-1.0	-42.22	403.64	7.62	-34.60
O=C(NC1CC[NH+](CC2=CC=NC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242377	0	53	0.0	-74.09	402.67	5.80	-68.29
O=C(NC1CC[NH+](CC2=CC=NC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242377	1	53	0.0	-74.07	402.73	5.82	-68.25
O=C(NC1CCN(CC2=CC=NC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242377	1	52	-1.0	-44.56	400.35	3.54	-41.02
O=C(NC1CCN(CC2=CC=NC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242377	1	52	-1.0	-44.52	400.41	3.56	-40.96
O=C(NCCC1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242378	0	41	-1.0	-45.36	342.04	5.27	-40.09
O=C(NCCC1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242378	1	41	-1.0	-45.30	342.10	5.29	-40.01
O=C(NCC1=CC=C(O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242379	0	39	-1.0	-43.43	320.93	1.60	-41.83
O=C(NCC1=CC=C(O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242379	1	39	-1.0	-43.44	320.99	1.61	-41.83
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242380	0	52	-1.0	-42.67	405.04	6.75	-35.92
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242380	1	52	-1.0	-42.71	405.10	6.77	-35.94
COC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OCCO	REAL300020242381	0	50	-1.0	-48.29	401.90	1.48	-46.81
COC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OCCO	REAL300020242381	1	50	-1.0	-48.36	401.96	1.50	-46.86
CC(C)CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300020242382	0	53	-1.0	-41.48	418.99	8.17	-33.31
CC(C)CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300020242382	1	53	-1.0	-41.50	419.05	8.19	-33.31
COC1=CC(OC)=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300020242383	0	50	-1.0	-46.23	395.68	2.47	-43.76
COC1=CC(OC)=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020242383	1	50	-1.0	-46.24	395.73	2.49	-43.75
O=C(NCC1=CC2=C(CCCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242384	0	45	-1.0	-42.18	363.80	6.18	-36.00
O=C(NCC1=CC2=C(CCCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242384	1	45	-1.0	-42.22	363.86	6.20	-36.02
COC1=CC=C(Br)C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242385	0	42	-1.0	-43.76	357.63	4.33	-39.43
COC1=CC=C(Br)C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242385	1	42	-1.0	-43.78	357.69	4.35	-39.43
O=C(NC(CCC1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242386	0	54	-1.0	-44.04	431.48	10.25	-33.79
O=C(NC(CCC1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242386	1	54	-1.0	-44.05	431.54	10.27	-33.78
O=C(NCCOC1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242387	0	45	-1.0	-42.20	350.15	3.59	-38.61
O=C(NCCOC1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242387	1	45	-1.0	-42.23	350.21	3.60	-38.63
CC1=CC=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242388	0	44	-1.0	-42.58	348.78	5.96	-36.62
CC1=CC=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242388	1	44	-1.0	-42.59	348.84	5.98	-36.61
COC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1OC	REAL300020242389	0	46	-1.0	-44.46	369.02	3.69	-40.77
COC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1OC	REAL300020242389	1	46	-1.0	-44.49	369.08	3.70	-40.79
CCC1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242390	0	47	-1.0	-42.23	351.30	5.38	-36.85
CCC1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242390	1	47	-1.0	-42.27	351.36	5.40	-36.87
O=C(NCC1=NN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242391	0	44	-1.0	-46.65	364.35	4.23	-42.42
O=C(NCC1=NN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242391	1	44	-1.0	-46.65	364.41	4.24	-42.41
CC1=NC=CN1C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020242392	0	47	-1.0	-46.59	380.09	6.56	-40.03
CC1=NC=CN1C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020242392	1	47	-1.0	-46.63	380.14	6.58	-40.05
O=C(NCCC1=CC=C(F)C(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242393	0	41	-1.0	-45.51	358.42	5.87	-39.64
O=C(NCCC1=CC=C(F)C(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242393	1	41	-1.0	-45.55	358.48	5.89	-39.66
O=C(NCC1CCCCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242394	0	50	-1.0	-42.25	354.29	5.65	-36.60
O=C(NCC1CCCCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242394	1	50	-1.0	-42.30	354.35	5.66	-36.64
O=C(NC(CC(F)(F)F)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242395	0	44	-1.0	-45.16	354.70	5.72	-39.44
O=C(NC(CC(F)(F)F)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242395	1	44	-1.0	-45.17	354.76	5.74	-39.43
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=C(Cl)C=CC(F)=C1Cl	REAL300020242396	0	41	-1.0	-43.28	354.81	6.34	-36.94
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=C(Cl)C=CC(F)=C1Cl	REAL300020242396	1	41	-1.0	-43.30	354.86	6.36	-36.94
CC1=NC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020242397	0	39	-1.0	-43.81	321.56	2.38	-41.43
CC1=NC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020242397	1	39	-1.0	-43.73	321.62	2.40	-41.33
O=C(NC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1)C1CCCC1	REAL300020242398	0	55	-1.0	-46.92	429.39	6.05	-40.87
O=C(NC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1)C1CCCC1	REAL300020242398	1	55	-1.0	-46.91	429.44	6.06	-40.85
COC1=CC=CC(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242399	0	45	-1.0	-44.65	356.89	4.57	-40.08
COC1=CC=CC(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242399	1	45	-1.0	-44.66	356.94	4.59	-40.07
CC1=CC=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020242400	0	47	-1.0	-42.79	363.14	6.45	-36.34
CC1=CC=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020242400	1	47	-1.0	-42.83	363.20	6.47	-36.36
CC1=CC=C(C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)N2CCOCC2)C=C1	REAL300020242401	0	57	-1.0	-42.84	422.60	4.85	-37.99
CC1=CC=C(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)N2CCOCC2)C=C1	REAL300020242401	1	57	-1.0	-42.80	422.66	4.87	-37.93
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C[NH+]1CCCCC1	REAL300020242402	0	53	0.0	-65.94	386.42	6.19	-59.75
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C[NH+]1CCCCC1	REAL300020242402	1	53	0.0	-65.97	386.48	6.21	-59.76
CS(=O)(=O)CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242403	0	47	-1.0	-54.09	394.93	2.63	-51.46
CS(=O)(=O)CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242403	1	47	-1.0	-54.09	394.98	2.65	-51.44
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCCCC1	REAL300020242404	0	50	0.0	-63.14	359.84	5.16	-57.98
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300020242404	1	50	0.0	-63.13	359.90	5.17	-57.96
COC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020242405	0	44	-1.0	-47.49	365.45	5.18	-42.31
COC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020242405	1	44	-1.0	-47.47	365.51	5.20	-42.27
CCN(CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)S(C)(=O)=O	REAL300020242406	0	48	-1.0	-50.06	385.70	0.96	-49.10
CCN(CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)S(C)(=O)=O	REAL300020242406	1	48	-1.0	-50.09	385.76	0.97	-49.12
O=C(NCC1=CC=CC(O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242407	0	39	-1.0	-43.23	320.95	1.59	-41.64
O=C(NCC1=CC=CC(O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242407	1	39	-1.0	-43.27	321.00	1.61	-41.66
O=C(NCC1=CC=C(CN2CCCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242408	0	52	-1.0	-48.03	417.35	6.21	-41.82
O=C(NCC1=CC=C(CN2CCCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242408	1	52	-1.0	-48.05	417.41	6.22	-41.83
O=C(CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC1CCCCC1	REAL300020242409	0	51	-1.0	-50.86	393.36	3.25	-47.61
O=C(CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC1CCCCC1	REAL300020242409	1	51	-1.0	-50.88	393.42	3.26	-47.62
O=C(NCCOC1=CC=C2CCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242410	0	49	-1.0	-43.82	385.34	5.98	-37.84
O=C(NCCOC1=CC=C2CCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242410	1	49	-1.0	-43.77	385.39	6.00	-37.77
CC(C)OC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242411	0	48	-1.0	-43.55	378.67	5.38	-38.17
CC(C)OC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242411	1	48	-1.0	-43.57	378.73	5.39	-38.18
CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C2OCCOC2=C1	REAL300020242412	0	50	-1.0	-46.05	386.13	4.76	-41.29
CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C2OCCOC2=C1	REAL300020242412	1	50	-1.0	-46.04	386.19	4.78	-41.26
O=C(NCC1=CC=CC=C1OCC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242413	0	45	-1.0	-46.37	379.76	5.16	-41.21
O=C(NCC1=CC=CC=C1OCC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242413	1	45	-1.0	-46.37	379.82	5.18	-41.19
CCCCCCCC(C)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242414	0	55	-1.0	-41.66	416.10	7.48	-34.18
CCCCCCCC(C)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242414	1	55	-1.0	-41.68	416.16	7.50	-34.18
CCC(CC)C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CS1	REAL300020242415	0	50	-1.0	-42.58	390.47	7.11	-35.47
CCC(CC)C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CS1	REAL300020242415	1	50	-1.0	-42.58	390.53	7.12	-35.46
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300020242416	0	47	-1.0	-42.77	376.32	6.80	-35.97
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300020242416	1	47	-1.0	-42.74	376.38	6.81	-35.93
CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CS1	REAL300020242417	0	41	-1.0	-41.36	332.57	4.79	-36.57
CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CS1	REAL300020242417	1	41	-1.0	-41.38	332.63	4.81	-36.57
O=C(NCC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242418	0	52	-1.0	-44.37	421.20	7.72	-36.65
O=C(NCC1=CC=CC(COC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242418	1	52	-1.0	-44.37	421.25	7.73	-36.64
O=C(NCC1=CC=CC(CN2C=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242419	0	48	-1.0	-46.34	393.74	6.10	-40.24
O=C(NCC1=CC=CC(CN2C=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242419	1	48	-1.0	-46.33	393.69	6.09	-40.24
CN(CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1F	REAL300020242420	0	49	-1.0	-45.86	389.76	4.84	-41.02
CN(CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1F	REAL300020242420	1	49	-1.0	-45.85	389.82	4.85	-41.00
CC1=CC=CC=C1OCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242421	0	45	-1.0	-43.29	359.88	4.83	-38.46
CC1=CC=CC=C1OCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242421	1	45	-1.0	-43.30	359.94	4.84	-38.46
CC1=CC=CC(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)(C)C)=C1	REAL300020242422	0	53	-1.0	-41.96	392.03	7.38	-34.58
CC1=CC=CC(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)(C)C)=C1	REAL300020242422	1	53	-1.0	-41.96	392.09	7.39	-34.57
CCOC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242423	0	45	-1.0	-44.06	360.19	4.70	-39.36
CCOC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242423	1	45	-1.0	-44.06	360.25	4.71	-39.35
O=C(NCC1=CC=CC(N2CCOC2=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242424	0	47	-1.0	-53.25	378.59	4.50	-48.75
O=C(NCC1=CC=CC(N2CCOC2=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242424	1	47	-1.0	-53.27	378.65	4.51	-48.76
O=C(NCC1CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242425	0	42	-1.0	-43.43	337.27	5.73	-37.70
O=C(NCC1CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242425	1	42	-1.0	-43.41	337.32	5.75	-37.66
CC1=NC=CN1C1=NC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242426	0	47	-1.0	-46.65	379.62	5.89	-40.76
CC1=NC=CN1C1=NC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242426	1	47	-1.0	-46.63	379.68	5.91	-40.72
CC1CCCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)([NH+](C)C)C1	REAL300020242427	0	56	0.0	-67.05	384.09	6.87	-60.18
CC1CCCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)([NH+](C)C)C1	REAL300020242427	1	56	0.0	-67.07	384.15	6.88	-60.19
CC1CC[NH+](C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2)CC1	REAL300020242428	0	60	0.0	-65.86	441.86	8.83	-57.03
CC1CC[NH+](C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2)CC1	REAL300020242428	1	60	0.0	-65.87	441.92	8.85	-57.02
CC(CC1=CSC=C1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242429	0	41	-1.0	-43.56	340.52	5.12	-38.44
CC(CC1=CSC=C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242429	1	41	-1.0	-43.54	340.58	5.14	-38.40
COCCOC1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242430	0	49	-1.0	-46.08	393.84	3.98	-42.10
COCCOC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242430	1	49	-1.0	-46.10	393.90	4.00	-42.10
O=C(NCCOC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242431	0	42	-1.0	-43.61	361.10	4.70	-38.91
O=C(NCCOC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242431	1	42	-1.0	-43.62	361.16	4.71	-38.91
O=C(NCCCCN1C=CN=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242432	0	44	-1.0	-48.53	354.89	5.57	-42.96
O=C(NCCCCN1C=CN=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242432	1	44	-1.0	-48.56	354.95	5.58	-42.98
CNS(=O)(=O)C1=CC=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242433	0	49	-1.0	-47.97	403.98	1.46	-46.51
CNS(=O)(=O)C1=CC=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242433	1	49	-1.0	-48.01	404.04	1.48	-46.53
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CC(C)OCC1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242582	1	51	-1.0	-41.84	401.80	6.06	-35.78
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COC1=CC=C(C)C=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242583	1	45	-1.0	-43.73	359.81	4.47	-39.26
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C[NH+](C)CCCCCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242587	1	55	0.0	-66.80	415.50	6.65	-60.15
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CC(C)CCOCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242590	0	47	-1.0	-42.08	366.01	3.59	-38.49
CC(C)CCOCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242590	1	47	-1.0	-42.10	366.07	3.61	-38.49
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CC1=CC(C)=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020242591	1	47	-1.0	-41.82	365.99	6.17	-35.65
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CC1=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=C1	REAL300020242592	1	38	-1.0	-42.60	319.33	4.11	-38.49
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COC1=CC=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242594	1	45	-1.0	-43.07	356.92	4.60	-38.47
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CC1(C)CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020242604	0	51	-1.0	-44.05	377.14	6.71	-37.34
CC1(C)CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020242604	1	51	-1.0	-44.05	377.20	6.73	-37.32
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CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC1C1=CC=CC=C1	REAL300020242606	0	48	-1.0	-43.96	367.33	6.79	-37.17
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC1C1=CC=CC=C1	REAL300020242606	1	48	-1.0	-44.02	367.39	6.81	-37.21
COC1=CC=C(CCC(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242607	0	51	-1.0	-44.79	402.10	6.31	-38.48
COC1=CC=C(CCC(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242607	1	51	-1.0	-44.82	402.15	6.32	-38.50
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)[NH+]1CCC(C)CC1	REAL300020242608	0	53	0.0	-63.20	382.28	6.18	-57.02
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCC(C)CC1	REAL300020242608	1	53	0.0	-63.18	382.34	6.19	-56.99
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O=C(NCC1CCCC[N@@H+]1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242609	1	57	0.0	-63.12	416.10	7.76	-55.36
O=C(NCC1CCCC[N@H+]1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242609	1	57	0.0	-64.97	420.71	8.49	-56.48
O=C(NCC1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242610	0	57	0.0	-67.76	427.53	8.25	-59.51
O=C(NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242610	1	57	0.0	-67.75	427.44	8.23	-59.52
O=C(NCC1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242610	1	57	0.0	-67.81	427.59	8.27	-59.54
O=C(NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242610	1	57	0.0	-67.75	427.49	8.24	-59.51
O=C(NCC1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242611	0	41	-1.0	-43.23	340.10	5.88	-37.35
O=C(NCC1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242611	1	41	-1.0	-43.25	340.15	5.89	-37.36
CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020242612	0	44	-1.0	-42.76	341.72	5.61	-37.15
CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020242612	1	44	-1.0	-42.77	341.78	5.63	-37.14
COC1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300020242613	0	49	-1.0	-47.42	389.20	3.86	-43.56
COC1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020242613	1	49	-1.0	-47.40	389.25	3.88	-43.52
CCOC1=C(OC)C=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020242614	0	53	-1.0	-45.51	423.68	4.51	-41.00
CCOC1=C(OC)C=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020242614	1	53	-1.0	-45.52	423.74	4.52	-41.00
O=C(NC1COC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242615	0	40	-1.0	-42.40	323.72	3.67	-38.73
O=C(NC1COC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242615	1	40	-1.0	-42.39	323.78	3.68	-38.71
CN(C)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020242616	0	46	-1.0	-43.09	370.81	3.99	-39.10
CN(C)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020242616	1	46	-1.0	-43.12	370.87	4.01	-39.11
O=C(NCC1CCC[N@H+](CC2=CC=CS2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242617	0	54	0.0	-66.43	411.04	7.39	-59.04
O=C(NCC1CCC[N@@H+](CC2=CC=CS2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242617	1	54	0.0	-66.69	418.20	7.39	-59.30
O=C(NCC1CCC[N@H+](CC2=CC=CS2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242617	1	54	0.0	-66.41	411.09	7.40	-59.01
O=C(NCC1CCC[N@@H+](CC2=CC=CS2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242617	1	54	0.0	-66.75	418.26	7.40	-59.35
COC1=CC=C2C(=C1)CCCC2NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242618	0	49	-1.0	-44.28	372.47	5.25	-39.03
COC1=CC=C2C(=C1)CCCC2NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242618	1	49	-1.0	-44.30	372.53	5.26	-39.04
CC[NH+](CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CO1	REAL300020242619	0	53	0.0	-63.95	390.60	6.54	-57.41
CCN(CC)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CO1	REAL300020242619	1	52	-1.0	-42.73	395.11	3.89	-38.84
CCN(CC)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CO1	REAL300020242619	1	52	-1.0	-42.77	395.17	3.91	-38.86
CC[NH+](CC)CC(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242620	0	49	0.0	-65.85	352.01	5.62	-60.23
CC[NH+](CC)CC(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242620	1	49	0.0	-65.87	352.07	5.63	-60.24
CC(COCC(F)(F)F)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242621	0	41	-1.0	-43.56	343.95	2.88	-40.68
CC(COCC(F)(F)F)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242621	1	41	-1.0	-43.56	344.01	2.90	-40.66
CCOC1=CC=CC(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242622	0	48	-1.0	-44.55	378.74	5.50	-39.05
CCOC1=CC=CC(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242622	1	48	-1.0	-44.58	378.80	5.52	-39.06
COC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020242623	0	41	-1.0	-45.84	337.07	1.07	-44.77
COC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020242623	1	41	-1.0	-45.85	337.13	1.09	-44.76
O=C(CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCCCCC1	REAL300020242624	0	51	-1.0	-51.31	382.46	4.67	-46.64
O=C(CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCCCCC1	REAL300020242624	1	51	-1.0	-51.31	382.52	4.69	-46.62
O=C(NCCS(=O)(=O)N1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242625	0	47	-1.0	-51.72	380.76	-0.96	-52.68
O=C(NCCS(=O)(=O)N1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242625	1	47	-1.0	-51.72	380.81	-0.94	-52.66
O=C(NC1CCN(CC(F)F)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242626	0	46	-1.0	-44.42	357.58	2.77	-41.65
O=C(NC1CCN(CC(F)F)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242626	1	46	-1.0	-44.43	357.64	2.79	-41.64
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300020242627	0	47	-1.0	-44.37	391.50	7.26	-37.11
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300020242627	1	47	-1.0	-44.35	391.56	7.27	-37.08
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CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NN=C2CCCN21	REAL300020242631	1	44	-1.0	-49.25	350.77	4.64	-44.61
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O=C(NCC1=CC=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242637	1	43	-1.0	-46.42	350.01	4.94	-41.48
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O=C(NCC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242638	1	38	-1.0	-41.45	331.27	5.08	-36.37
COC1=CC=CC=C1C(C)(C)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242639	0	51	-1.0	-43.50	384.07	5.96	-37.54
COC1=CC=CC=C1C(C)(C)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242639	1	51	-1.0	-43.50	384.13	5.97	-37.53
CC1=CC=CC(C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242640	0	50	-1.0	-43.11	381.01	6.96	-36.15
CC1=CC=CC(C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242640	1	50	-1.0	-43.13	381.06	6.97	-36.16
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C=C(Br)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242643	0	32	-1.0	-42.33	284.14	2.61	-39.72
C=C(Br)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242643	1	32	-1.0	-42.32	284.20	2.63	-39.69
CC(C)(C)OC(=O)N1CCCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242644	0	58	-1.0	-44.79	426.60	6.13	-38.66
CC(C)(C)OC(=O)N1CCCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242644	1	58	-1.0	-44.81	426.66	6.14	-38.67
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C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242649	1	55	0.0	-65.55	421.85	5.05	-60.50
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CN1CCN(C2=NC=CC=C2CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242649	1	54	-1.0	-43.60	419.03	2.68	-40.92
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CCCCCCCCOCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242652	0	59	-1.0	-42.41	456.02	6.94	-35.47
CCCCCCCCOCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242652	1	59	-1.0	-42.38	456.08	6.95	-35.43
CC1=CC(Br)=CC(C)=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242653	0	44	-1.0	-40.92	365.82	6.09	-34.83
CC1=CC(Br)=CC(C)=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242653	1	44	-1.0	-40.92	365.88	6.11	-34.81
CC1=C(C)C2=CC(C)=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2N1	REAL300020242654	0	51	-1.0	-43.35	404.92	6.34	-37.01
CC1=C(C)C2=CC(C)=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2N1	REAL300020242654	1	51	-1.0	-43.40	404.98	6.36	-37.04
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CC(CC(C)(C)C1=CC=CC=C1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242656	0	53	-1.0	-43.15	393.46	8.23	-34.92
CC(CC(C)(C)C1=CC=CC=C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242656	1	53	-1.0	-43.11	393.52	8.24	-34.87
O=C(NCCC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242657	0	41	-1.0	-43.50	364.88	6.23	-37.27
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CC1=CC=C(C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)[NH+]2CCCC2)C=C1	REAL300020242658	0	57	0.0	-63.97	427.43	8.20	-55.77
CC1=CC=C(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[NH+]2CCCC2)C=C1	REAL300020242658	1	57	0.0	-64.01	427.49	8.22	-55.79
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CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Br)C=C1	REAL300020242660	0	41	-1.0	-41.68	348.67	5.91	-35.77
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Br)C=C1	REAL300020242660	1	41	-1.0	-41.68	348.72	5.93	-35.75
O=C(NCC1=CC=C(N2C=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242661	0	45	-1.0	-45.83	365.86	6.83	-39.00
O=C(NCC1=CC=C(N2C=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242661	1	45	-1.0	-45.83	365.92	6.85	-38.98
O=C(NC(C1=CC=CC=C1)C1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242662	0	51	-1.0	-42.52	380.04	7.59	-34.93
O=C(NC(C1=CC=CC=C1)C1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242662	1	51	-1.0	-42.53	380.09	7.60	-34.93
O=C(NCCCN1C=CC=CC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242663	0	44	-1.0	-54.72	356.70	4.29	-50.43
O=C(NCCCN1C=CC=CC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242663	1	44	-1.0	-54.67	356.76	4.30	-50.37
CC(C)C1CCC(C)CC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242664	0	56	-1.0	-41.55	401.12	6.89	-34.66
CC(C)C1CCC(C)CC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242664	1	56	-1.0	-41.54	401.18	6.91	-34.63
O=C(NCCOC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242665	0	42	-1.0	-42.93	361.11	4.70	-38.23
O=C(NCCOC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242665	1	42	-1.0	-42.94	361.17	4.71	-38.23
O=C(NC1CCSC2=CC=C(Cl)C=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242666	0	43	-1.0	-43.67	360.07	6.06	-37.61
O=C(NC1CCSC2=CC=C(Cl)C=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242666	1	43	-1.0	-43.68	360.13	6.08	-37.60
C[C@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=N1	REAL300020242667	0	40	-1.0	-44.04	323.78	3.70	-40.34
C[C@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=N1	REAL300020242667	1	40	-1.0	-44.08	323.83	3.71	-40.37
O=C(NC1CC2CC1C1CCCC21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242668	0	49	-1.0	-42.89	352.10	6.08	-36.81
O=C(NC1CC2CC1C1CCCC21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242668	1	49	-1.0	-42.89	352.15	6.09	-36.80
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O=C(NC(C1=CC=C(F)C=C1)C1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242669	1	51	-1.0	-41.97	389.27	7.61	-34.36
O=C(NCCNS(=O)(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242670	0	46	-1.0	-50.15	386.15	0.79	-49.36
O=C(NCCNS(=O)(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242670	1	46	-1.0	-50.14	386.21	0.81	-49.33
CC1CC2=CC=CC=C2N1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242671	0	50	-1.0	-45.05	381.17	4.70	-40.35
CC1CC2=CC=CC=C2N1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242671	1	50	-1.0	-45.10	381.23	4.71	-40.39
CC(CC1=CC=CC(Br)=C1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242672	0	44	-1.0	-44.12	370.94	6.85	-37.27
CC(CC1=CC=CC(Br)=C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242672	1	44	-1.0	-44.09	371.00	6.86	-37.23
CC1=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=C(F)C=C1	REAL300020242673	0	51	-1.0	-45.40	411.07	6.88	-38.52
CC1=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=C(F)C=C1	REAL300020242673	1	51	-1.0	-45.44	411.13	6.90	-38.54
O=C(NCC1=NN(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242674	0	45	-1.0	-48.22	368.81	5.54	-42.68
O=C(NCC1=NN(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242674	1	45	-1.0	-48.23	368.87	5.56	-42.67
O=C(NC(C1=CC=C(F)C=C1)C1CCCO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242675	0	49	-1.0	-42.90	383.18	5.60	-37.30
O=C(NC(C1=CC=C(F)C=C1)C1CCCO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242675	1	49	-1.0	-42.86	383.24	5.62	-37.24
COC1=CC=C(OC)C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242676	0	49	-1.0	-46.40	389.20	3.85	-42.55
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COC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=C1	REAL300020242724	0	45	-1.0	-43.89	369.51	5.18	-38.71
COC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=C1	REAL300020242724	1	45	-1.0	-43.85	369.57	5.19	-38.66
CC(C)(C)OCC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242725	0	54	-1.0	-42.99	421.14	6.27	-36.72
CC(C)(C)OCC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242725	1	54	-1.0	-43.01	421.20	6.29	-36.72
COC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020242726	0	42	-1.0	-44.58	359.84	4.41	-40.17
COC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020242726	1	42	-1.0	-44.63	359.90	4.43	-40.20
COC1=CC=C(C2=NC(CCNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CO2)C=C1	REAL300020242727	0	51	-1.0	-49.19	417.52	2.95	-46.24
COC1=CC=C(C2=NC(CCNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CO2)C=C1	REAL300020242727	1	51	-1.0	-49.19	417.46	2.94	-46.25
O=C(NCC1=NC=CN1C(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242728	0	38	-1.0	-46.35	320.01	2.91	-43.44
O=C(NCC1=NC=CN1C(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242728	1	38	-1.0	-46.34	320.07	2.93	-43.41
O=C(NC(C1=CC=CC=C1)C1CCCO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242729	0	49	-1.0	-41.03	376.33	5.58	-35.45
O=C(NC(C1=CC=CC=C1)C1CCCO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242729	1	49	-1.0	-41.09	376.38	5.60	-35.49
O=C(NCCC1=COC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242730	0	47	-1.0	-49.34	388.08	3.64	-45.70
O=C(NCCC1=COC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242730	1	47	-1.0	-49.32	388.02	3.63	-45.69
CC1=CC=C(C2=NC(CCNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CO2)C=C1	REAL300020242731	0	50	-1.0	-49.14	409.48	4.32	-44.82
CC1=CC=C(C2=NC(CCNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CO2)C=C1	REAL300020242731	1	50	-1.0	-49.16	409.42	4.31	-44.85
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=C(Cl)C=CC=C1Cl	REAL300020242732	0	44	-1.0	-44.14	367.91	6.42	-37.72
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=C(Cl)C=CC=C1Cl	REAL300020242732	1	44	-1.0	-44.18	367.96	6.44	-37.74
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1OC1=CC=CC=C1	REAL300020242733	0	52	-1.0	-46.54	413.24	8.15	-38.39
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1OC1=CC=CC=C1	REAL300020242733	1	52	-1.0	-46.54	413.30	8.16	-38.38
COCCC[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242734	0	54	0.0	-69.02	403.53	4.43	-64.59
COCCC[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242734	1	54	0.0	-68.97	403.59	4.44	-64.53
CC[N@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC1	REAL300020242735	0	47	0.0	-61.97	356.46	4.80	-57.17
CC[N@@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC1	REAL300020242735	1	47	0.0	-62.55	355.94	4.77	-57.78
CC[N@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC1	REAL300020242735	1	47	0.0	-61.97	356.52	4.82	-57.15
CC[N@@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC1	REAL300020242735	1	47	0.0	-62.55	355.99	4.78	-57.77
CC1=CC=CC(C2(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)CCCC2)=C1	REAL300020242736	0	54	-1.0	-41.42	404.29	8.77	-32.65
CC1=CC=CC(C2(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)CCCC2)=C1	REAL300020242736	1	54	-1.0	-41.41	404.35	8.78	-32.63
O=C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCC2=CC=CC=C21	REAL300020242737	0	46	-1.0	-44.79	363.33	4.71	-40.08
O=C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCC2=CC=CC=C21	REAL300020242737	1	46	-1.0	-44.78	363.39	4.73	-40.05
CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(C)C=C1	REAL300020242738	0	47	-1.0	-42.68	363.13	6.29	-36.39
CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(C)C=C1	REAL300020242738	1	47	-1.0	-42.73	363.19	6.30	-36.43
CCC(CC)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300020242739	0	53	-1.0	-42.71	408.19	7.79	-34.92
CCC(CC)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300020242739	1	53	-1.0	-42.70	408.25	7.81	-34.89
O=C(NCCC1=CC=CC(O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242740	0	42	-1.0	-46.14	342.43	2.36	-43.78
O=C(NCCC1=CC=CC(O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242740	1	42	-1.0	-46.19	342.49	2.38	-43.81
COC1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC(F)F	REAL300020242741	0	49	-1.0	-49.10	399.91	4.69	-44.41
COC1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC(F)F	REAL300020242741	1	49	-1.0	-49.11	399.97	4.71	-44.40
CC1=CC=C(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[NH+]2CCCC2)O1	REAL300020242742	0	54	0.0	-64.79	404.68	6.45	-58.34
CC1=CC=C(C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)N2CCCC2)O1	REAL300020242742	1	53	-1.0	-45.44	411.15	4.00	-41.44
CC1=CC=C(C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)N2CCCC2)O1	REAL300020242742	1	53	-1.0	-45.45	411.21	4.02	-41.43
CC1=CC=CC=C1C(C)(C)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242743	0	50	-1.0	-43.51	369.65	6.59	-36.92
CC1=CC=CC=C1C(C)(C)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242743	1	50	-1.0	-43.52	369.71	6.61	-36.91
CC(C)(C)OC(=O)N1CCCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242744	0	58	-1.0	-45.72	434.91	5.48	-40.24
CC(C)(C)OC(=O)N1CCCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242744	1	58	-1.0	-45.70	434.97	5.50	-40.20
CC[NH+]1CCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242745	0	50	0.0	-68.13	368.62	5.34	-62.79
CC[NH+]1CCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242745	1	50	0.0	-68.16	368.68	5.36	-62.80
O=C(NCCCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242746	0	44	-1.0	-43.25	369.65	6.52	-36.73
O=C(NCCCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242746	1	44	-1.0	-43.22	369.70	6.53	-36.69
O=C(NCC1(C2=CC=C(F)C=C2)CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242747	0	48	-1.0	-42.14	379.03	6.97	-35.17
O=C(NCC1(C2=CC=C(F)C=C2)CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242747	1	48	-1.0	-42.11	379.09	6.98	-35.13
CC(C)COCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CO1	REAL300020242748	0	51	-1.0	-43.14	407.18	5.00	-38.14
CC(C)COCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CO1	REAL300020242748	1	51	-1.0	-43.16	407.24	5.02	-38.14
CN(C)C1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242749	0	49	-1.0	-44.76	382.14	5.61	-39.15
CN(C)C1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242749	1	49	-1.0	-44.76	382.19	5.62	-39.14
CC(C)(C)OC(=O)N1CCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242750	0	58	-1.0	-47.18	434.75	5.54	-41.64
CC(C)(C)OC(=O)N1CCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242750	1	58	-1.0	-47.15	434.81	5.55	-41.60
CC(C)(C)OC(=O)NCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242751	0	48	-1.0	-45.24	376.52	1.20	-44.04
CC(C)(C)OC(=O)NCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242751	1	48	-1.0	-45.24	376.58	1.22	-44.02
O=C(NCCCC1=NC2=CC=CC=C2N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242752	0	47	-1.0	-49.16	379.15	4.70	-44.46
O=C(NCCCC1=NC2=CC=CC=C2N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242752	1	47	-1.0	-49.17	379.21	4.71	-44.46
O=C(NCCC1=CC=C(O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242753	0	42	-1.0	-45.63	342.43	2.36	-43.27
O=C(NCCC1=CC=C(O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242753	1	42	-1.0	-45.66	342.49	2.38	-43.28
CC(O)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020242754	0	45	-1.0	-43.26	360.62	2.73	-40.53
CC(O)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020242754	1	45	-1.0	-43.29	360.68	2.75	-40.54
CS(=O)(=O)N1CCN(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242755	0	51	-1.0	-51.15	402.25	-1.19	-52.34
CS(=O)(=O)N1CCN(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242755	1	51	-1.0	-51.17	402.31	-1.17	-52.34
CC(C)CC(=O)N1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242756	0	54	-1.0	-45.50	406.09	5.12	-40.38
CC(C)CC(=O)N1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242756	1	54	-1.0	-45.52	406.15	5.14	-40.38
CC1=NC(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=CS1	REAL300020242757	0	47	-1.0	-45.18	394.43	5.88	-39.30
CC1=NC(C2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=CS1	REAL300020242757	1	47	-1.0	-45.18	394.37	5.86	-39.32
CC1=C(Cl)C=CC=C1NC(=O)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242758	0	48	-1.0	-50.64	396.74	4.74	-45.90
CC1=C(Cl)C=CC=C1NC(=O)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242758	1	48	-1.0	-50.67	396.80	4.75	-45.92
CC(CN1C=NC=N1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242759	0	40	-1.0	-53.91	327.60	4.68	-49.23
CC(CN1C=NC=N1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242759	1	40	-1.0	-53.88	327.54	4.67	-49.21
CCCC[NH+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242760	0	53	0.0	-66.55	391.36	6.14	-60.41
CCCC[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242760	1	53	0.0	-66.56	391.41	6.15	-60.41
O=C(NCCN1CCCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242761	0	50	-1.0	-44.62	377.15	4.72	-39.90
O=C(NCCN1CCCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242761	1	50	-1.0	-44.62	377.21	4.73	-39.89
O=C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCN(C2=CC=CC=C2)CC1	REAL300020242762	0	54	-1.0	-45.33	415.15	3.96	-41.37
O=C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCN(C2=CC=CC=C2)CC1	REAL300020242762	1	54	-1.0	-45.32	415.21	3.98	-41.34
CC1=NC=CN1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242763	0	41	-1.0	-47.93	331.66	3.80	-44.13
CC1=NC=CN1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242763	1	41	-1.0	-47.91	331.72	3.82	-44.09
CC1=[NH+]C=CN1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242763	1	42	0.0	-61.89	335.05	4.29	-57.60
CC1=[NH+]C=CN1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242763	1	42	0.0	-61.87	335.11	4.31	-57.56
O=C(NC(CC1CCCCC1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242764	0	57	-1.0	-43.63	430.41	9.67	-33.96
O=C(NC(CC1CCCCC1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242764	1	57	-1.0	-43.62	430.46	9.68	-33.94
O=C(NCC1=CC=C(OC2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242765	0	48	-1.0	-45.44	396.33	4.82	-40.62
O=C(NCC1=CC=C(OC2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242765	1	48	-1.0	-45.41	396.27	4.80	-40.61
CC1CN(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCO1	REAL300020242766	0	47	-1.0	-43.53	359.53	0.66	-42.87
CC1CN(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCO1	REAL300020242766	1	47	-1.0	-43.58	359.58	0.67	-42.91
CC(CC1=CC=C(Cl)C=C1Cl)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242767	0	44	-1.0	-44.29	381.15	7.01	-37.28
CC(CC1=CC=C(Cl)C=C1Cl)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242767	1	44	-1.0	-44.31	381.20	7.03	-37.28
O=C(CC1CCCCC1)NCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242768	0	54	-1.0	-46.77	410.94	3.84	-42.93
O=C(CC1CCCCC1)NCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242768	1	54	-1.0	-46.79	411.00	3.85	-42.94
CC1=CC=CC=C1C1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCC1	REAL300020242769	0	57	-1.0	-42.38	404.97	8.19	-34.19
CC1=CC=CC=C1C1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCC1	REAL300020242769	1	57	-1.0	-42.41	405.03	8.20	-34.21
O=C(NC1CCCCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242770	0	48	-1.0	-42.80	356.36	7.71	-35.09
O=C(NC1CCCCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242770	1	48	-1.0	-42.84	356.42	7.72	-35.12
O=C(NCCC1=NN(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242771	0	48	-1.0	-50.18	390.24	6.32	-43.86
O=C(NCCC1=NN(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242771	1	48	-1.0	-50.18	390.30	6.33	-43.85
CC1=NOC(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020242772	0	39	-1.0	-42.52	321.84	0.81	-41.71
CC1=NOC(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020242772	1	39	-1.0	-42.55	321.89	0.83	-41.72
O=C(NCC1(C2=CC=C3OCOC3=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242773	0	48	-1.0	-46.07	379.95	4.96	-41.11
O=C(NCC1(C2=CC=C3OCOC3=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242773	1	48	-1.0	-46.11	380.01	4.98	-41.13
CC1(C2=CC=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)NC(=O)NC1=O	REAL300020242774	0	50	-1.0	-46.71	404.39	1.18	-45.53
CC1(C2=CC=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)NC(=O)NC1=O	REAL300020242774	1	50	-1.0	-46.68	404.45	1.20	-45.48
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COC1=CC=CC=C1C1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242777	0	49	-1.0	-43.66	386.29	5.83	-37.83
COC1=CC=CC=C1C1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242777	1	49	-1.0	-43.64	386.34	5.85	-37.79
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CC1=CC=CC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242779	0	44	-1.0	-43.81	352.81	5.88	-37.93
CC1=CC=CC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242779	1	44	-1.0	-43.83	352.87	5.90	-37.93
CC1=CC=CC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242780	0	44	-1.0	-43.81	352.81	5.88	-37.93
CC1=CC=CC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242780	1	44	-1.0	-43.83	352.87	5.90	-37.93
CC1=CN(CCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020242781	0	44	-1.0	-46.87	355.83	3.88	-42.99
CC1=CN(CCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020242781	1	44	-1.0	-46.80	355.77	3.86	-42.94
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NC(=O)C1=CC=CC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242782	1	45	-1.0	-52.64	366.01	2.00	-50.64
COC1=CC=C(N2CCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2)C=C1	REAL300020242783	0	54	-1.0	-44.74	410.06	4.34	-40.40
COC1=CC=C(N2CCC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2)C=C1	REAL300020242783	1	54	-1.0	-44.71	410.12	4.35	-40.36
CC(C)C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300020242784	0	50	-1.0	-43.79	397.71	7.55	-36.24
CC(C)C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300020242784	1	50	-1.0	-43.84	397.76	7.57	-36.27
CC1=CC=CC=C1C1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242785	0	48	-1.0	-42.23	373.68	6.80	-35.43
CC1=CC=CC=C1C1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242785	1	48	-1.0	-42.22	373.74	6.81	-35.41
COCC[N@H+](C)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242786	0	47	0.0	-65.91	358.14	2.56	-63.35
COCC[N@@H+](C)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242786	1	47	0.0	-65.87	358.28	2.56	-63.31
COCC[N@H+](C)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242786	1	47	0.0	-65.95	358.20	2.58	-63.37
COCC[N@@H+](C)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242786	1	47	0.0	-65.90	358.34	2.58	-63.32
COC1=CC=CC=C1N1CCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242787	0	54	-1.0	-47.72	415.38	4.33	-43.39
COC1=CC=CC=C1N1CCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242787	1	54	-1.0	-47.70	415.43	4.35	-43.35
CS(=O)(=O)CC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020242788	0	47	-1.0	-54.13	394.92	2.63	-51.50
CS(=O)(=O)CC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020242788	1	47	-1.0	-54.18	394.98	2.65	-51.53
COC1=CC(OC)=C(OC)C=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242789	0	50	-1.0	-46.55	397.04	2.97	-43.58
COC1=CC(OC)=C(OC)C=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242789	1	50	-1.0	-46.53	397.09	2.98	-43.55
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CC1=CC=CC(C2=CC=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=C1	REAL300020242796	0	51	-1.0	-43.14	405.55	8.52	-34.62
CC1=CC=CC(C2=CC=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=C1	REAL300020242796	1	51	-1.0	-43.13	405.60	8.53	-34.60
COC(=O)N1CCCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020242797	0	46	-1.0	-51.27	360.21	2.81	-48.46
COC(=O)N1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020242797	1	46	-1.0	-51.29	360.27	2.82	-48.47
CC(C)C1=NC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020242798	0	46	-1.0	-44.93	379.21	4.23	-40.70
CC(C)C1=NC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020242798	1	46	-1.0	-44.92	379.27	4.24	-40.68
CCC1=NC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020242799	0	43	-1.0	-45.94	359.14	3.69	-42.25
CCC1=NC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020242799	1	43	-1.0	-45.97	359.20	3.70	-42.27
CC1=NC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC2=CC=CC=C21	REAL300020242800	0	45	-1.0	-48.96	364.62	4.31	-44.65
CC1=NC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC2=CC=CC=C21	REAL300020242800	1	45	-1.0	-48.93	364.68	4.32	-44.61
CC1(C2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)NC(=O)NC1=O	REAL300020242801	0	50	-1.0	-47.89	405.98	1.48	-46.41
CC1(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)NC(=O)NC1=O	REAL300020242801	1	50	-1.0	-47.90	406.04	1.49	-46.41
O=C(NCC1=CC=C(OC2CCCCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242802	0	54	-1.0	-43.42	420.64	4.94	-38.48
O=C(NCC1=CC=C(OC2CCCCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242802	1	54	-1.0	-43.42	420.58	4.92	-38.50
COCCOCCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242803	0	48	-1.0	-46.19	382.16	2.27	-43.92
COCCOCCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242803	1	48	-1.0	-46.14	382.21	2.29	-43.85
CCCC1=CC=C(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)C)C=C1	REAL300020242804	0	56	-1.0	-41.73	422.39	8.34	-33.39
CCCC1=CC=C(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)C)C=C1	REAL300020242804	1	56	-1.0	-41.77	422.45	8.36	-33.41
O=C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCC2=CC=CC=C2C1	REAL300020242805	0	49	-1.0	-44.58	385.29	5.21	-39.37
O=C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCC2=CC=CC=C2C1	REAL300020242805	1	49	-1.0	-44.58	385.35	5.22	-39.36
O=C(NCC1=CC=CC(OCC(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242806	0	45	-1.0	-47.30	374.30	4.99	-42.31
O=C(NCC1=CC=CC(OCC(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242806	1	45	-1.0	-47.35	374.35	5.01	-42.34
CC[N@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020242807	0	49	0.0	-62.92	353.11	4.18	-58.74
CC[N@@H+](CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020242807	1	49	0.0	-63.52	355.62	4.25	-59.27
CC[N@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C	REAL300020242807	1	49	0.0	-62.92	353.16	4.20	-58.72
CC[N@@H+](CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C	REAL300020242807	1	49	0.0	-63.57	355.67	4.26	-59.31
CN1C=C(CCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020242808	0	44	-1.0	-46.24	355.78	3.80	-42.44
CN1C=C(CCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020242808	1	44	-1.0	-46.25	355.72	3.78	-42.47
CCCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300020242809	0	50	-1.0	-42.98	401.20	7.44	-35.54
CCCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300020242809	1	50	-1.0	-42.98	401.25	7.45	-35.53
O=C(NCC1=CC(F)=CC2=C1OCOC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242810	0	44	-1.0	-44.86	359.74	3.60	-41.26
O=C(NCC1=CC(F)=CC2=C1OCOC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242810	1	44	-1.0	-44.85	359.79	3.62	-41.23
CCN1N=C(C)C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020242811	0	47	-1.0	-45.34	372.60	4.04	-41.30
CCN1N=C(C)C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020242811	1	47	-1.0	-45.41	372.65	4.06	-41.35
CCOC1=CC=CC=C1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242812	0	48	-1.0	-46.09	381.57	5.50	-40.59
CCOC1=CC=CC=C1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242812	1	48	-1.0	-46.06	381.63	5.51	-40.55
CCC1=NOC(C2=CC=C(CCNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300020242813	0	52	-1.0	-47.12	425.40	5.20	-41.92
CCC1=NOC(C2=CC=C(CCNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300020242813	1	52	-1.0	-47.05	425.35	5.18	-41.87
CC(C)C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NC2=CC=CC=C2N1	REAL300020242814	0	50	-1.0	-44.86	387.98	5.73	-39.13
CC(C)C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NC2=CC=CC=C2N1	REAL300020242814	1	50	-1.0	-44.86	388.04	5.74	-39.12
O=C(NCCC1=CC(F)=CC(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242815	0	41	-1.0	-44.21	344.24	5.35	-38.86
O=C(NCCC1=CC(F)=CC(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242815	1	41	-1.0	-44.24	344.30	5.37	-38.87
O=C(CC1=CC=CC(F)=C1)NCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242816	0	48	-1.0	-49.16	397.53	3.64	-45.52
O=C(CC1=CC=CC(F)=C1)NCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242816	1	48	-1.0	-49.14	397.58	3.66	-45.48
CC(C)(C)C1=CC=C(C2(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)CCC2)C=C1	REAL300020242817	0	60	-1.0	-42.53	448.76	9.20	-33.33
CC(C)(C)C1=CC=C(C2(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)CCC2)C=C1	REAL300020242817	1	60	-1.0	-42.50	448.82	9.21	-33.29
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1F	REAL300020242818	0	47	-1.0	-46.75	361.61	6.27	-40.48
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1F	REAL300020242818	1	47	-1.0	-46.75	361.67	6.29	-40.46
O=C(NC1CCC2=CC=CC=C2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242819	0	45	-1.0	-44.32	350.36	6.28	-38.04
O=C(NC1CCC2=CC=CC=C2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242819	1	45	-1.0	-44.35	350.42	6.30	-38.05
O=C(NCC1(C2=CC=C(Cl)C=C2)CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242820	0	48	-1.0	-41.60	389.36	7.43	-34.17
O=C(NCC1(C2=CC=C(Cl)C=C2)CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242820	1	48	-1.0	-41.60	389.42	7.45	-34.15
O=C(NCC1(C2=C(F)C=CC=C2F)CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242821	0	51	-1.0	-43.39	386.49	7.60	-35.79
O=C(NCC1(C2=C(F)C=CC=C2F)CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242821	1	51	-1.0	-43.37	386.55	7.62	-35.75
COC1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1OC	REAL300020242822	0	53	-1.0	-49.57	423.62	4.41	-45.16
COC1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1OC	REAL300020242822	1	53	-1.0	-49.54	423.68	4.42	-45.12
COC1=CC=CC(N2CCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)=C1	REAL300020242823	0	51	-1.0	-44.21	394.57	3.64	-40.57
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CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242901	0	56	0.0	-62.04	404.69	7.05	-54.99
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242901	1	56	0.0	-65.05	404.76	7.09	-57.96
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242901	1	56	0.0	-62.10	404.74	7.06	-55.04
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COC1=CC(C)=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020242908	0	52	-1.0	-45.53	400.39	4.98	-40.55
COC1=CC(C)=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020242908	1	52	-1.0	-45.55	400.45	4.99	-40.56
CS(=O)(=O)CCN1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242909	0	52	-1.0	-52.66	410.05	-0.08	-52.74
CS(=O)(=O)CCN1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242909	1	52	-1.0	-52.66	410.10	-0.07	-52.73
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)NS(C)(=O)=O	REAL300020242910	0	45	-1.0	-49.71	352.12	-0.92	-50.63
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)NS(C)(=O)=O	REAL300020242910	1	45	-1.0	-49.74	352.17	-0.90	-50.64
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C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020242914	0	61	0.0	-59.37	428.28	4.84	-54.53
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020242914	1	61	0.0	-59.36	428.34	4.85	-54.51
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CS(=O)(=O)NCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242917	0	39	-1.0	-53.05	328.55	-2.42	-55.47
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CC1COCCN1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020242920	1	47	-1.0	-44.28	351.92	0.19	-44.09
CCCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=N1	REAL300020242921	0	46	-1.0	-42.61	360.58	4.47	-38.14
CCCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=N1	REAL300020242921	1	46	-1.0	-42.62	360.64	4.49	-38.13
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CC1=NOC(C)=C1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020242923	0	43	-1.0	-46.18	348.68	4.00	-42.18
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CC(C)N1C=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020243024	0	47	-1.0	-44.79	371.80	4.42	-40.37
CC(C)N1C=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020243024	1	47	-1.0	-44.78	371.74	4.41	-40.37
O=C(NC1CC[N@H+](CCN2CCOCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243025	0	57	0.0	-72.23	419.35	2.30	-69.93
O=C(NC1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243025	1	57	0.0	-70.67	420.49	2.47	-68.20
O=C(NC1CC[N@H+](CCN2CCOCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243025	1	57	0.0	-72.21	419.41	2.32	-69.89
O=C(NC1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243025	1	57	0.0	-70.70	420.55	2.48	-68.22
CC1=CC(N(C)C)=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243026	0	49	-1.0	-43.12	377.74	5.62	-37.50
CC1=CC(N(C)C)=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243026	1	49	-1.0	-43.11	377.80	5.64	-37.47
CC(C)C(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300020243027	0	57	-1.0	-43.17	427.15	3.44	-39.73
CC(C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC(=O)OC(C)(C)C	REAL300020243027	1	57	-1.0	-43.17	427.20	3.46	-39.71
CC1=NC=C2C(=N1)CCCC2NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243028	0	46	-1.0	-48.95	354.94	3.92	-45.03
CC1=NC=C2C(=N1)CCCC2NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243028	1	46	-1.0	-48.95	355.00	3.93	-45.02
CC1=CC=CC(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020243029	0	47	-1.0	-42.53	361.05	6.44	-36.09
CC1=CC=CC(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020243029	1	47	-1.0	-42.53	361.10	6.45	-36.08
COC1=CC=C2NC=C(CCNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=C1	REAL300020243030	0	49	-1.0	-51.52	392.86	4.55	-46.97
COC1=CC=C2NC=C(CCNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=C1	REAL300020243030	1	49	-1.0	-51.53	392.92	4.56	-46.97
O=C(NCC1=CC=CC=C1C[NH+]1CCCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243031	0	60	0.0	-62.46	430.95	9.30	-53.16
O=C(NCC1=CC=CC=C1C[NH+]1CCCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243031	1	60	0.0	-62.56	431.01	9.32	-53.24
O=C(NCCCC1=CC=C(O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243032	0	45	-1.0	-45.39	363.92	3.13	-42.26
O=C(NCCCC1=CC=C(O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243032	1	45	-1.0	-45.41	363.98	3.15	-42.26
COCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300020243033	0	48	-1.0	-42.82	397.13	5.50	-37.32
COCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300020243033	1	48	-1.0	-42.79	397.18	5.51	-37.28
COC1=CC(F)=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020243034	0	49	-1.0	-45.53	390.54	4.57	-40.96
COC1=CC(F)=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020243034	1	49	-1.0	-45.52	390.60	4.58	-40.94
O=C(NC(CC1=CC=CC=C1)C1=CC=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243035	0	48	-1.0	-44.16	399.47	8.40	-35.76
O=C(NC(CC1=CC=CC=C1)C1=CC=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243035	1	48	-1.0	-44.17	399.53	8.41	-35.76
CC(C)C1=CC=C(CCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020243036	0	53	-1.0	-42.81	413.14	7.93	-34.88
CC(C)C1=CC=C(CCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020243036	1	53	-1.0	-42.81	413.20	7.94	-34.87
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243037	0	52	-1.0	-47.30	400.14	4.05	-43.25
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243037	1	52	-1.0	-47.32	400.20	4.06	-43.26
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243038	0	50	0.0	-62.56	356.40	4.98	-57.58
CC[N@H+]1CCCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243038	1	50	0.0	-62.80	357.48	4.84	-57.96
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243038	1	50	0.0	-62.54	356.45	4.99	-57.55
CC[N@H+]1CCCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243038	1	50	0.0	-62.79	357.54	4.85	-57.94
C[NH+](C)CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL300020243039	0	55	0.0	-65.19	394.82	6.10	-59.09
C[NH+](C)CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL300020243039	1	55	0.0	-65.26	394.88	6.11	-59.15
CC(C)C1=NOC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020243040	0	43	-1.0	-44.42	347.37	3.88	-40.54
CC(C)C1=NOC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020243040	1	43	-1.0	-44.43	347.42	3.89	-40.54
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243041	0	59	0.0	-59.90	413.33	7.00	-52.90
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243041	1	59	0.0	-59.84	406.02	6.96	-52.88
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243041	1	59	0.0	-59.95	413.39	7.02	-52.93
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243041	1	59	0.0	-59.86	406.07	6.97	-52.89
O=C(NCC1OCCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243042	0	46	-1.0	-44.15	359.50	4.57	-39.58
O=C(NCC1OCCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243042	1	46	-1.0	-44.14	359.56	4.58	-39.56
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243043	0	49	0.0	-69.08	355.66	2.15	-66.93
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243043	1	49	0.0	-65.95	355.26	2.06	-63.89
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243043	1	49	0.0	-69.11	355.72	2.17	-66.94
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243043	1	49	0.0	-65.96	355.32	2.07	-63.89
O=C(NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243044	0	58	0.0	-67.09	441.69	7.42	-59.67
O=C(NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243044	1	58	0.0	-67.10	441.75	7.43	-59.67
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O=C(NC1CCCN(C2=CC=CC(F)=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243045	1	50	-1.0	-44.16	387.03	5.12	-39.04
O=C(NCCC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243046	0	41	-1.0	-43.62	352.70	5.84	-37.78
O=C(NCCC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243046	1	41	-1.0	-43.61	352.76	5.86	-37.75
CC1=CC=CC=C1C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC1	REAL300020243047	0	48	-1.0	-42.29	363.67	7.04	-35.25
CC1=CC=CC=C1C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC1	REAL300020243047	1	48	-1.0	-42.31	363.72	7.05	-35.26
O=C(CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC1=CC=CC=C1	REAL300020243048	0	45	-1.0	-52.05	364.89	3.45	-48.60
O=C(CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC1=CC=CC=C1	REAL300020243048	1	45	-1.0	-52.09	364.95	3.46	-48.63
N#CCOC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020243049	0	43	-1.0	-48.32	360.64	4.46	-43.86
N#CCOC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020243049	1	43	-1.0	-48.32	360.70	4.47	-43.85
COC1=CC=C(Cl)C=C1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243050	0	45	-1.0	-44.61	376.44	5.09	-39.52
COC1=CC=C(Cl)C=C1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243050	1	45	-1.0	-44.64	376.50	5.10	-39.54
O=C(NCCC1=CC=CC(F)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243051	0	41	-1.0	-46.40	343.27	5.31	-41.09
O=C(NCCC1=CC=CC(F)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243051	1	41	-1.0	-46.42	343.32	5.33	-41.09
O=C(NCCC1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243052	0	41	-1.0	-46.40	343.27	5.32	-41.08
O=C(NCCC1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243052	1	41	-1.0	-46.45	343.33	5.33	-41.12
O=C(NCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300020243053	0	45	-1.0	-46.80	372.89	2.96	-43.84
O=C(NCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300020243053	1	45	-1.0	-46.79	372.95	2.97	-43.82
C[C@@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C(Br)=C1	REAL300020243054	0	41	-1.0	-42.45	354.32	5.94	-36.51
C[C@@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C(Br)=C1	REAL300020243054	1	41	-1.0	-42.47	354.38	5.95	-36.52
CCS(=O)(=O)CC(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243055	0	43	-1.0	-53.62	352.41	1.27	-52.35
CCS(=O)(=O)CC(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243055	1	43	-1.0	-53.63	352.46	1.28	-52.35
O=C(NCC1=CC=NC(OC2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243056	0	52	-1.0	-43.53	411.58	2.54	-40.99
O=C(NCC1=CC=NC(OC2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243056	1	52	-1.0	-43.51	411.63	2.56	-40.95
CCC(C#N)OC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC	REAL300020243057	0	53	-1.0	-47.11	429.90	5.68	-41.43
CCC(C#N)OC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC	REAL300020243057	1	53	-1.0	-47.11	429.96	5.69	-41.42
O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243058	0	58	0.0	-64.04	408.57	7.01	-57.03
O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243058	1	58	0.0	-64.02	408.63	7.03	-56.99
CC1=C(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)C)OC2=CC=CC=C21	REAL300020243059	0	53	-1.0	-43.60	409.24	7.16	-36.44
CC1=C(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)C)OC2=CC=CC=C21	REAL300020243059	1	53	-1.0	-43.60	409.30	7.18	-36.42
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)C1	REAL300020243060	0	60	0.0	-69.23	445.69	6.21	-63.02
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)C1	REAL300020243060	1	60	0.0	-68.17	445.51	6.19	-61.98
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)C1	REAL300020243060	1	60	0.0	-69.28	445.74	6.22	-63.06
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)C1	REAL300020243060	1	60	0.0	-68.16	445.57	6.21	-61.95
CC1=CC=C(CC(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020243061	0	50	-1.0	-43.77	387.74	7.29	-36.48
CC1=CC=C(CC(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020243061	1	50	-1.0	-43.76	387.80	7.30	-36.46
O=C(NCCCN(C(=O)C1CCC1)C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243062	0	55	-1.0	-46.38	421.20	6.25	-40.13
O=C(NCCCN(C(=O)C1CCC1)C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243062	1	55	-1.0	-46.37	421.26	6.26	-40.11
O=C(NCCCC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243063	0	44	-1.0	-42.93	374.20	6.61	-36.32
O=C(NCCCC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243063	1	44	-1.0	-42.91	374.26	6.63	-36.28
CC(CS(C)(=O)=O)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243064	0	40	-1.0	-54.07	330.95	0.38	-53.69
CC(CS(C)(=O)=O)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243064	1	40	-1.0	-54.07	331.00	0.40	-53.67
CC1=CC=CC=C1C(CC(C)C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243065	0	53	-1.0	-42.44	400.55	8.17	-34.27
CC1=CC=CC=C1C(CC(C)C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243065	1	53	-1.0	-42.43	400.61	8.19	-34.24
COCC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020243066	0	45	-1.0	-43.90	368.68	4.38	-39.52
COCC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020243066	1	45	-1.0	-43.88	368.74	4.40	-39.48
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CS1	REAL300020243067	0	44	-1.0	-43.50	354.21	5.60	-37.90
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CS1	REAL300020243067	1	44	-1.0	-43.49	354.26	5.62	-37.87
O=C(NC1CCC2CCCC2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243068	0	48	-1.0	-42.10	355.62	5.83	-36.27
O=C(NC1CCC2CCCC2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243068	1	48	-1.0	-42.12	355.67	5.85	-36.27
CC(CCC1CCCCC1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243069	0	53	-1.0	-42.07	393.37	7.18	-34.89
CC(CCC1CCCCC1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243069	1	53	-1.0	-42.08	393.43	7.19	-34.89
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O=C(NCCCOC1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243272	1	49	-1.0	-43.73	380.17	2.52	-41.21
CC1=NN=C2CCC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)CN12	REAL300020243273	0	47	-1.0	-50.67	366.57	5.29	-45.38
CC1=NN=C2CCC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)CN12	REAL300020243273	1	47	-1.0	-50.72	366.63	5.30	-45.42
CC(C)(C)S(=O)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243274	0	45	-1.0	-54.02	360.53	2.00	-52.02
CC(C)(C)S(=O)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243274	1	45	-1.0	-54.06	360.59	2.02	-52.04
C[NH+](C)C1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC2=CC=CC=C2C1	REAL300020243275	0	54	0.0	-61.77	394.59	6.91	-54.86
C[NH+](C)C1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC2=CC=CC=C2C1	REAL300020243275	1	54	0.0	-61.76	394.65	6.92	-54.84
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CN1CCOCC1	REAL300020243276	0	50	-1.0	-43.03	377.65	1.76	-41.27
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CN1CCOCC1	REAL300020243276	1	50	-1.0	-43.00	377.71	1.77	-41.23
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C[NH+]1CCOCC1	REAL300020243276	1	51	0.0	-68.98	377.96	3.79	-65.19
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C[NH+]1CCOCC1	REAL300020243276	1	51	0.0	-68.96	378.02	3.81	-65.15
CC1(C)CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020243277	0	47	-1.0	-42.26	346.20	5.03	-37.23
CC1(C)CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020243277	1	47	-1.0	-42.29	346.26	5.05	-37.24
O=C(NCC1=CC(Cl)=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243278	0	42	-1.0	-43.61	364.83	4.57	-39.04
O=C(NCC1=CC(Cl)=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243278	1	42	-1.0	-43.59	364.88	4.58	-39.01
CC(C)CC(CCO)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243279	0	50	-1.0	-43.15	372.72	2.07	-41.08
CC(C)CC(CCO)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243279	1	50	-1.0	-43.16	372.77	2.09	-41.07
CC1=CC=C(OC(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020243280	0	48	-1.0	-43.00	379.75	5.41	-37.59
CC1=CC=C(OC(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020243280	1	48	-1.0	-42.97	379.81	5.42	-37.55
COCCOCC(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243281	0	45	-1.0	-43.03	358.01	1.68	-41.35
COCCOCC(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243281	1	45	-1.0	-43.06	358.06	1.69	-41.37
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)OC1=CC=CC(Cl)=C1	REAL300020243282	0	45	-1.0	-42.53	374.51	5.16	-37.37
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)OC1=CC=CC(Cl)=C1	REAL300020243282	1	45	-1.0	-42.50	374.56	5.18	-37.32
CC(C)C(CC1=CC=C(F)C=C1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243283	0	50	-1.0	-45.16	386.12	7.16	-38.00
CC(C)C(CC1=CC=C(F)C=C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243283	1	50	-1.0	-45.16	386.18	7.18	-37.98
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)OC1=CC=C(F)C=C1	REAL300020243284	0	45	-1.0	-43.34	364.76	4.79	-38.55
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)OC1=CC=C(F)C=C1	REAL300020243284	1	45	-1.0	-43.38	364.81	4.81	-38.57
CC1=CC=CC(F)=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243285	0	41	-1.0	-43.33	332.22	4.97	-38.36
CC1=CC=CC(F)=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243285	1	41	-1.0	-43.36	332.28	4.99	-38.37
COC1=CC=CC(OC(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020243286	0	49	-1.0	-44.01	387.26	3.94	-40.07
COC1=CC=CC(OC(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020243286	1	49	-1.0	-44.09	387.32	3.95	-40.14
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)OC1=CC=C(Cl)C=C1	REAL300020243287	0	45	-1.0	-42.80	375.08	5.25	-37.55
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)OC1=CC=C(Cl)C=C1	REAL300020243287	1	45	-1.0	-42.80	375.14	5.27	-37.53
CN(C)C1=NC2=CC=CC=C2C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020243288	0	51	-1.0	-44.35	401.65	6.31	-38.04
CN(C)C1=NC2=CC=CC=C2C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020243288	1	51	-1.0	-44.34	401.71	6.33	-38.01
COC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(Cl)=C1	REAL300020243289	0	45	-1.0	-43.01	379.86	4.87	-38.14
COC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(Cl)=C1	REAL300020243289	1	45	-1.0	-42.99	379.92	4.89	-38.10
COC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300020243290	0	45	-1.0	-44.74	369.20	4.46	-40.28
COC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300020243290	1	45	-1.0	-44.73	369.26	4.47	-40.26
COC1(C)CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1(C)C	REAL300020243291	0	48	-1.0	-42.94	355.80	4.08	-38.86
COC1(C)CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1(C)C	REAL300020243291	1	48	-1.0	-42.99	355.86	4.09	-38.90
CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NC(C(F)(F)F)=CS1	REAL300020243292	0	43	-1.0	-43.24	368.32	3.65	-39.59
CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NC(C(F)(F)F)=CS1	REAL300020243292	1	43	-1.0	-43.24	368.38	3.67	-39.57
CC1=CSC(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2CC2)=N1	REAL300020243293	0	44	-1.0	-43.61	357.34	4.77	-38.84
CC1=CSC(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2CC2)=N1	REAL300020243293	1	44	-1.0	-43.66	357.40	4.78	-38.88
COC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300020243294	0	45	-1.0	-44.20	379.52	4.91	-39.29
COC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300020243294	1	45	-1.0	-44.23	379.58	4.92	-39.31
CN(C)C1=CC=C(N2CCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2)C=C1	REAL300020243295	0	58	-1.0	-44.02	431.47	5.42	-38.60
CN(C)C1=CC=C(N2CCC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2)C=C1	REAL300020243295	1	58	-1.0	-44.03	431.53	5.43	-38.60
CSC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCOCC1	REAL300020243296	0	46	-1.0	-42.12	352.23	3.25	-38.87
CSC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCOCC1	REAL300020243296	1	46	-1.0	-42.12	352.28	3.27	-38.85
CN1C=CC(N2CCCC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=O)=N1	REAL300020243297	0	49	-1.0	-54.26	383.25	4.50	-49.76
CN1C=CC(N2CCCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=O)=N1	REAL300020243297	1	49	-1.0	-54.19	383.19	4.49	-49.70
CC1=CC=C(N2CCCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)C=C1	REAL300020243298	0	53	-1.0	-42.89	406.31	5.89	-37.00
CC1=CC=C(N2CCCC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2)C=C1	REAL300020243298	1	53	-1.0	-42.92	406.37	5.91	-37.01
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)OC1=CC=CC=C1F	REAL300020243299	0	45	-1.0	-44.84	364.01	4.73	-40.11
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)OC1=CC=CC=C1F	REAL300020243299	1	45	-1.0	-44.82	364.07	4.74	-40.08
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1F	REAL300020243300	0	44	-1.0	-43.89	358.44	5.89	-38.00
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1F	REAL300020243300	1	44	-1.0	-43.89	358.49	5.91	-37.98
O=C(NCCC1=NN(C2=CC=C(F)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243301	0	48	-1.0	-49.72	396.65	6.37	-43.35
O=C(NCCC1=NN(C2=CC=C(F)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243301	1	48	-1.0	-49.73	396.71	6.39	-43.34
CSC1=CC=C(F)C=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243302	0	42	-1.0	-43.57	353.96	5.39	-38.18
CSC1=CC=C(F)C=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243302	1	42	-1.0	-43.57	354.02	5.41	-38.16
CCC(CC1=CC=CC=C1C(F)(F)F)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243303	0	50	-1.0	-42.22	391.44	7.28	-34.94
CCC(CC1=CC=CC=C1C(F)(F)F)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243303	1	50	-1.0	-42.21	391.50	7.30	-34.91
O=C(NCC1CCC(C(F)(F)F)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243304	0	47	-1.0	-43.64	369.41	5.78	-37.86
O=C(NCC1CCC(C(F)(F)F)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243304	1	47	-1.0	-43.67	369.47	5.80	-37.87
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(N2C=CC=N2)=C1	REAL300020243305	0	48	-1.0	-50.40	385.82	6.49	-43.91
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(N2C=CC=N2)=C1	REAL300020243305	1	48	-1.0	-50.41	385.77	6.48	-43.93
O=C(NCCC1=CNC2=CC=C(Cl)C=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243306	0	45	-1.0	-49.12	380.12	5.76	-43.36
O=C(NCCC1=CNC2=CC=C(Cl)C=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243306	1	45	-1.0	-49.12	380.17	5.78	-43.34
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(N2C=CC=N2)C=C1	REAL300020243307	0	48	-1.0	-46.28	385.72	6.48	-39.80
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(N2C=CC=N2)C=C1	REAL300020243307	1	48	-1.0	-46.27	385.66	6.47	-39.80
COC1=NC2=CC=CC=C2C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020243308	0	47	-1.0	-44.28	380.18	3.17	-41.11
COC1=NC2=CC=CC=C2C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020243308	1	47	-1.0	-44.26	380.24	3.19	-41.07
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NC(C2CCCCC2)=NO1	REAL300020243309	0	52	-1.0	-41.87	405.73	3.76	-38.11
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NC(C2CCCCC2)=NO1	REAL300020243309	1	52	-1.0	-41.91	405.79	3.78	-38.13
CCSCCC(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243310	0	44	-1.0	-42.74	357.47	5.32	-37.42
CCSCCC(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243310	1	44	-1.0	-42.77	357.53	5.34	-37.43
CSC1CCCC1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243311	0	42	-1.0	-44.16	337.14	4.64	-39.52
CSC1CCCC1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243311	1	42	-1.0	-44.15	337.20	4.66	-39.49
CC1=C(C)SC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020243312	0	40	-1.0	-42.77	335.39	2.88	-39.89
CC1=C(C)SC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020243312	1	40	-1.0	-42.81	335.45	2.90	-39.91
O=C(NC1CC(=O)N(C2CC2C2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243313	0	53	-1.0	-47.57	417.13	6.71	-40.86
O=C(NC1CC(=O)N(C2CC2C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243313	1	53	-1.0	-47.55	417.19	6.72	-40.83
CC1=CC=C(C2OCCCC2CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020243314	0	55	-1.0	-46.41	414.13	6.66	-39.75
CC1=CC=C(C2OCCCC2CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020243314	1	55	-1.0	-46.45	414.19	6.68	-39.77
CC(=O)NCC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020243315	0	48	-1.0	-47.07	392.10	3.46	-43.61
CC(=O)NCC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020243315	1	48	-1.0	-47.10	392.16	3.48	-43.62
CCC(CC)C1=NOC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020243316	0	49	-1.0	-44.14	384.16	5.11	-39.03
CCC(CC)C1=NOC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020243316	1	49	-1.0	-44.17	384.22	5.12	-39.05
CC(C)(C)OC(=O)NCC1CCCC1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243317	0	58	-1.0	-45.78	435.90	4.34	-41.44
CC(C)(C)OC(=O)NCC1CCCC1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243317	1	58	-1.0	-45.78	435.96	4.35	-41.43
O=C(NCCCC1=NN=C2CCCCCN12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243318	0	53	-1.0	-49.34	403.50	6.24	-43.10
O=C(NCCCC1=NN=C2CCCCCN12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243318	1	53	-1.0	-49.38	403.56	6.25	-43.13
CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N1C1=CC=CC=C1	REAL300020243319	0	49	-1.0	-52.37	380.52	5.61	-46.76
CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N1C1=CC=CC=C1	REAL300020243319	1	49	-1.0	-52.45	380.57	5.62	-46.83
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(N2C=CN=C2)=C1	REAL300020243320	0	48	-1.0	-47.88	383.37	7.65	-40.23
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(N2C=CN=C2)=C1	REAL300020243320	1	48	-1.0	-47.91	383.43	7.67	-40.24
O=C(NCCC1=NC(C(F)(F)F)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243321	0	40	-1.0	-48.56	357.14	3.38	-45.18
O=C(NCCC1=NC(C(F)(F)F)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243321	1	40	-1.0	-48.57	357.20	3.39	-45.18
COCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300020243322	0	45	-1.0	-42.12	364.84	4.58	-37.54
COCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300020243322	1	45	-1.0	-42.15	364.89	4.59	-37.56
CC(C)(C)S(=O)(=O)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243323	0	46	-1.0	-53.03	368.92	0.96	-52.07
CC(C)(C)S(=O)(=O)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243323	1	46	-1.0	-53.07	368.97	0.98	-52.09
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CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)SC1=CC=CC=C1	REAL300020243371	0	45	-1.0	-42.54	371.24	6.47	-36.07
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COCCC[N@@H+](C)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243375	1	50	0.0	-69.95	380.84	3.18	-66.77
COCCC[N@H+](C)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243375	1	50	0.0	-69.82	380.90	3.20	-66.62
COCCC[N@@H+](C)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243375	1	50	0.0	-69.96	380.90	3.20	-66.76
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CCC1=CC=C(C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020243403	1	53	-1.0	-42.92	402.54	7.74	-35.18
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020243404	0	59	0.0	-68.56	429.16	7.36	-61.20
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020243404	1	59	0.0	-68.56	429.22	7.38	-61.18
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CCS(=O)C1CCCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243406	0	49	-1.0	-52.13	379.46	3.81	-48.32
CCS(=O)C1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243406	1	49	-1.0	-52.13	379.52	3.82	-48.31
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CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(=O)N1CCOCC1	REAL300020243412	0	49	-1.0	-44.00	367.79	1.48	-42.52
CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(=O)N1CCOCC1	REAL300020243412	1	49	-1.0	-44.02	367.85	1.49	-42.53
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NN=C2N=CC=CN21	REAL300020243413	0	42	-1.0	-53.48	345.78	6.05	-47.43
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NN=C2N=CC=CN21	REAL300020243413	1	42	-1.0	-53.47	345.84	6.07	-47.40
NC(=O)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020243414	0	39	-1.0	-44.96	329.16	-0.58	-45.54
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CCNC(=O)COC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020243415	0	52	-1.0	-51.56	421.43	4.14	-47.42
CCNC(=O)COC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020243415	1	52	-1.0	-51.57	421.49	4.16	-47.41
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CCOC(=O)C1=C(C)N=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020243417	0	46	-1.0	-43.19	390.40	3.79	-39.40
CCOC(=O)C1=C(C)N=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020243417	1	46	-1.0	-43.21	390.46	3.80	-39.41
COC(C)C1=NC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020243418	0	44	-1.0	-44.39	370.16	1.90	-42.49
COC(C)C1=NC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020243418	1	44	-1.0	-44.35	370.22	1.92	-42.43
COCC(CC1=CC=CC=C1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243419	0	48	-1.0	-43.24	382.07	5.39	-37.85
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CC(C)(C)OC(=O)N1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243421	0	49	-1.0	-46.56	384.09	3.19	-43.37
CC(C)(C)OC(=O)N1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243421	1	49	-1.0	-46.58	384.15	3.20	-43.38
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CC(C)(C)N1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1=O	REAL300020243472	1	48	-1.0	-48.31	367.15	3.66	-44.65
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CC(C)(C)C1=NC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020243474	0	45	-1.0	-43.27	363.35	1.79	-41.48
CC(C)(C)C1=NC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020243474	1	45	-1.0	-43.28	363.41	1.81	-41.47
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CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NOC(CC2=CC=CC=C2)=N1	REAL300020243475	1	49	-1.0	-45.57	403.03	4.39	-41.18
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CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NC(CC2=CC=CC=C2)=NO1	REAL300020243477	0	49	-1.0	-42.95	403.19	4.41	-38.54
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CCC1=CC(N2CCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2)=NC=N1	REAL300020243479	0	54	-1.0	-44.94	415.85	5.65	-39.29
CCC1=CC(N2CCC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2)=NC=N1	REAL300020243479	1	54	-1.0	-44.99	415.91	5.67	-39.32
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CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020243480	1	57	0.0	-64.55	423.60	5.55	-59.00
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COCCC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020243481	1	51	-1.0	-43.01	380.86	4.37	-38.64
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CCOCCC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020243482	1	54	-1.0	-43.10	402.72	5.33	-37.77
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O=C(NCC1=NC=CN1CCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243485	0	51	-1.0	-46.63	412.36	7.56	-39.07
O=C(NCC1=NC=CN1CCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243485	1	51	-1.0	-46.63	412.41	7.57	-39.06
O=C(NCC1=NC=CN1CCCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243486	0	54	-1.0	-48.08	434.56	8.23	-39.85
O=C(NCC1=NC=CN1CCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243486	1	54	-1.0	-48.07	434.62	8.25	-39.82
CCC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)OC1=CC=CC(Cl)=C1	REAL300020243487	0	48	-1.0	-42.30	389.57	5.75	-36.55
CCC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)OC1=CC=CC(Cl)=C1	REAL300020243487	1	48	-1.0	-42.31	389.63	5.76	-36.55
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O=C(NCC1=CSC(CCC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243488	1	50	-1.0	-45.84	419.43	6.71	-39.13
COCCC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC1	REAL300020243489	0	48	-1.0	-42.43	365.80	3.64	-38.79
COCCC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC1	REAL300020243489	1	48	-1.0	-42.37	365.85	3.65	-38.72
CC1=CC=CC=C1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243490	0	44	-1.0	-43.51	346.78	5.68	-37.83
CC1=CC=CC=C1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243490	1	44	-1.0	-43.51	346.84	5.69	-37.82
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243491	0	60	0.0	-68.82	440.21	8.56	-60.26
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243491	1	60	0.0	-68.86	440.27	8.57	-60.29
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CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OCCC(C)C)=C1	REAL300020243493	0	57	-1.0	-43.69	442.16	7.47	-36.22
CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OCCC(C)C)=C1	REAL300020243493	1	57	-1.0	-43.65	442.22	7.48	-36.17
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CC1=CC=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020243497	0	44	-1.0	-43.25	354.12	5.98	-37.27
CC1=CC=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020243497	1	44	-1.0	-43.24	354.18	6.00	-37.24
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COC1=CC(OCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1	REAL300020243500	0	50	-1.0	-45.88	398.78	2.68	-43.20
COC1=CC(OCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1	REAL300020243500	1	50	-1.0	-45.86	398.84	2.69	-43.17
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CSCC1=CC(F)=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243502	1	45	-1.0	-42.53	377.56	6.51	-36.02
CC1=C(C)SC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020243503	0	43	-1.0	-47.12	356.88	3.63	-43.49
CC1=C(C)SC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020243503	1	43	-1.0	-47.16	356.94	3.65	-43.51
CCCCCC(C)(C)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243504	0	52	-1.0	-42.04	386.14	6.48	-35.56
CCCCCC(C)(C)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243504	1	52	-1.0	-42.04	386.20	6.50	-35.54
CC1=CC(F)=CC=C1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243505	0	44	-1.0	-44.09	353.14	5.75	-38.34
CC1=CC(F)=CC=C1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243505	1	44	-1.0	-44.08	353.20	5.76	-38.32
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COC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020243507	0	45	-1.0	-42.78	356.52	4.54	-38.24
COC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020243507	1	45	-1.0	-42.81	356.58	4.56	-38.25
COC(=O)C(C)(C)C(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020243508	0	53	-1.0	-46.92	407.53	7.26	-39.66
COC(=O)C(C)(C)C(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020243508	1	53	-1.0	-46.91	407.59	7.28	-39.63
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CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OCC2CC2)=C1	REAL300020243513	0	52	-1.0	-43.67	413.29	6.96	-36.71
CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OCC2CC2)=C1	REAL300020243513	1	52	-1.0	-43.71	413.35	6.98	-36.73
COCCOC1=CC(C)=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243514	0	52	-1.0	-46.42	415.23	4.63	-41.79
COCCOC1=CC(C)=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243514	1	52	-1.0	-46.38	415.28	4.65	-41.73
O=C(NC1CCCC2=CNN=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243515	0	42	-1.0	-48.38	330.54	2.65	-45.73
O=C(NC1CCCC2=CNN=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243515	1	42	-1.0	-48.37	330.59	2.67	-45.70
O=C(NC1CCC(F)(F)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243516	0	38	-1.0	-43.71	307.04	3.75	-39.96
O=C(NC1CCC(F)(F)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243516	1	38	-1.0	-43.73	307.10	3.76	-39.97
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(N2CCCC2)=C1	REAL300020243517	0	53	-1.0	-42.60	405.20	5.79	-36.81
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(N2CCCC2)=C1	REAL300020243517	1	53	-1.0	-42.62	405.25	5.80	-36.82
CC(C)C1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020243518	0	50	-1.0	-42.21	368.13	5.85	-36.36
CC(C)C1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020243518	1	50	-1.0	-42.20	368.19	5.86	-36.34
O=C(NCCC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243519	0	51	-1.0	-45.39	405.62	8.63	-36.76
O=C(NCCC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243519	1	51	-1.0	-45.38	405.68	8.65	-36.73
COCCCOC1=CC(C)=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243520	0	55	-1.0	-45.91	436.77	5.24	-40.67
COCCCOC1=CC(C)=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243520	1	55	-1.0	-45.91	436.83	5.25	-40.66
CCNS(=O)(=O)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020243521	0	49	-1.0	-48.16	407.55	1.46	-46.70
CCNS(=O)(=O)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020243521	1	49	-1.0	-48.19	407.60	1.48	-46.71
CC(C)C1=CSC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020243522	0	43	-1.0	-42.13	355.91	3.45	-38.68
CC(C)C1=CSC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020243522	1	43	-1.0	-42.14	355.97	3.47	-38.67
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CC(C)OC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCC1	REAL300020243523	1	54	-1.0	-41.58	393.06	5.52	-36.06
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CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)(C)C[NH+](C)C	REAL300020243560	1	52	0.0	-69.61	365.27	5.42	-64.19
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(OCC2CC2)C(F)=C1	REAL300020243561	0	52	-1.0	-44.80	416.64	7.17	-37.63
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CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243563	0	48	0.0	-61.88	364.65	5.32	-56.56
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243563	1	48	0.0	-59.67	360.30	5.69	-53.98
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243563	1	48	0.0	-61.94	364.70	5.34	-56.60
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243563	1	48	0.0	-59.67	360.36	5.71	-53.96
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CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300020243565	0	54	0.0	-65.56	404.00	7.10	-58.46
CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C[N@H+]1CC1=CC=CC=C1	REAL300020243565	1	54	0.0	-68.87	404.10	7.07	-61.80
CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300020243565	1	54	0.0	-65.58	404.05	7.11	-58.47
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CC1(C)CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020243566	1	48	-1.0	-43.26	368.90	6.88	-36.38
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CCCCC(CNC(=O)OC(C)(C)C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243568	0	60	-1.0	-43.95	453.58	4.19	-39.76
CCCCC(CNC(=O)OC(C)(C)C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243568	1	60	-1.0	-43.99	453.63	4.20	-39.79
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CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243571	0	54	-1.0	-45.16	431.13	7.48	-37.68
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243571	1	54	-1.0	-45.15	431.19	7.49	-37.66
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CC(C)CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300020243592	1	62	0.0	-70.27	453.71	8.52	-61.75
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CCC(C[NH+]1CCCC1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243593	1	50	0.0	-68.12	364.75	5.38	-62.74
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COC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020243608	0	42	-1.0	-43.28	344.98	3.76	-39.52
COC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020243608	1	42	-1.0	-43.29	345.04	3.77	-39.52
CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC2CCOC2)=C1	REAL300020243609	0	53	-1.0	-43.98	415.56	4.77	-39.21
CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC2CCOC2)=C1	REAL300020243609	1	53	-1.0	-44.00	415.62	4.79	-39.21
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CC1=CC=C(OC(F)F)C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020243611	0	45	-1.0	-44.55	369.50	4.72	-39.83
CC1=CC=C(OC(F)F)C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020243611	1	45	-1.0	-44.55	369.55	4.74	-39.81
CCOC1=CC=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1OC(F)F	REAL300020243612	0	49	-1.0	-45.96	399.00	4.90	-41.06
CCOC1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1OC(F)F	REAL300020243612	1	49	-1.0	-45.95	399.06	4.92	-41.03
COC1=CC=CC=C1N1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243613	0	51	-1.0	-44.69	391.42	3.80	-40.89
COC1=CC=CC=C1N1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243613	1	51	-1.0	-44.65	391.48	3.82	-40.83
COC1=CC=CC=C1N1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020243614	0	50	-1.0	-55.25	402.81	4.60	-50.65
COC1=CC=CC=C1N1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020243614	1	50	-1.0	-55.24	402.87	4.61	-50.63
CCC(=O)N1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243615	0	45	-1.0	-46.04	354.42	3.03	-43.01
CCC(=O)N1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243615	1	45	-1.0	-46.03	354.47	3.04	-42.99
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CC1=CC(C)=NN1C1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243620	0	51	-1.0	-47.79	407.14	6.89	-40.90
CC1=CC(C)=NN1C1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243620	1	51	-1.0	-47.79	407.19	6.90	-40.89
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC1=CC=CC(Cl)=C1	REAL300020243621	0	50	-1.0	-42.03	396.69	7.57	-34.46
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC1=CC=CC(Cl)=C1	REAL300020243621	1	50	-1.0	-42.03	396.74	7.58	-34.45
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CCCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1F	REAL300020243623	0	47	-1.0	-43.05	375.66	6.58	-36.47
CCCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1F	REAL300020243623	1	47	-1.0	-43.05	375.72	6.60	-36.45
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CC(C)C(=O)NCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243665	1	47	-1.0	-49.17	372.21	2.05	-47.12
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CC1(C)CCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020243667	0	54	-1.0	-43.26	399.68	7.65	-35.61
CC1(C)CCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020243667	1	54	-1.0	-43.29	399.74	7.66	-35.63
CC(C)CSCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243668	0	47	-1.0	-42.30	378.00	5.69	-36.61
CC(C)CSCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243668	1	47	-1.0	-42.28	378.06	5.71	-36.57
CCCCCCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243669	0	49	-1.0	-41.89	378.99	6.10	-35.79
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CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243720	1	56	0.0	-64.89	407.59	6.76	-58.13
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COC1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243724	1	45	-1.0	-42.28	340.42	3.59	-38.69
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CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020243807	1	55	-1.0	-49.46	425.91	3.01	-46.45
CC1CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCO1	REAL300020243808	0	45	-1.0	-43.32	344.26	3.19	-40.13
CC1CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCO1	REAL300020243808	1	45	-1.0	-43.36	344.31	3.20	-40.16
CCC1=CN=CC=C1C(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243809	0	46	-1.0	-42.30	357.77	4.83	-37.47
CCC1=CN=CC=C1C(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243809	1	46	-1.0	-42.34	357.83	4.85	-37.49
CCC1=CN=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243810	0	43	-1.0	-42.47	341.31	4.10	-38.37
CCC1=CN=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243810	1	43	-1.0	-42.47	341.37	4.11	-38.36
O=C(NCCC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020243811	0	43	-1.0	-47.66	367.66	6.11	-41.55
O=C(NCCC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020243811	1	43	-1.0	-47.66	367.72	6.13	-41.53
O=C(NC1CCN(C2=CC=C(Cl)C=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243812	0	47	-1.0	-42.15	379.51	4.70	-37.45
O=C(NC1CCN(C2=CC=C(Cl)C=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243812	1	47	-1.0	-42.17	379.57	4.71	-37.46
COC1C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C12CCC2	REAL300020243813	0	49	-1.0	-42.49	373.09	5.38	-37.11
COC1C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C12CCC2	REAL300020243813	1	49	-1.0	-42.50	373.15	5.39	-37.11
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O=C(NC1CCN(C2=CC=C(F)C(Cl)=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243814	1	47	-1.0	-42.93	387.74	4.92	-38.01
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020243815	0	57	0.0	-69.62	429.64	8.23	-61.39
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020243815	1	57	0.0	-68.51	430.20	8.15	-60.36
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020243815	1	57	0.0	-69.61	429.70	8.25	-61.36
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020243815	1	57	0.0	-68.50	430.25	8.17	-60.33
COC1=CC=C(C(OC)C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020243816	0	52	-1.0	-44.58	406.81	4.91	-39.67
COC1=CC=C(C(OC)C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020243816	1	52	-1.0	-44.56	406.86	4.93	-39.63
CC1(C)CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)(C)O1	REAL300020243817	0	48	-1.0	-41.64	355.81	3.95	-37.69
CC1(C)CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)(C)O1	REAL300020243817	1	48	-1.0	-41.67	355.87	3.97	-37.70
CCCCN1C=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020243818	0	50	-1.0	-43.97	398.59	5.21	-38.76
CCCCN1C=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020243818	1	50	-1.0	-43.94	398.64	5.22	-38.72
COC1=CC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020243819	0	45	-1.0	-46.69	367.14	4.58	-42.11
COC1=CC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020243819	1	45	-1.0	-46.68	367.20	4.60	-42.08
COC1CCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243820	0	45	-1.0	-45.22	346.10	3.35	-41.87
COC1CCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243820	1	45	-1.0	-45.21	346.15	3.37	-41.84
O=C(NC1CCC2(C1)OCCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243821	0	44	-1.0	-44.78	342.00	2.31	-42.47
O=C(NC1CCC2(C1)OCCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243821	1	44	-1.0	-44.78	342.06	2.33	-42.45
CSC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020243822	0	41	-1.0	-42.52	348.31	3.85	-38.67
CSC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020243822	1	41	-1.0	-42.54	348.37	3.86	-38.68
CCC1=NN(C)C(OC)=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243823	0	48	-1.0	-45.01	387.40	2.28	-42.73
CCC1=NN(C)C(OC)=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243823	1	48	-1.0	-45.04	387.46	2.30	-42.74
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O=C(CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC1CC1	REAL300020243825	0	45	-1.0	-47.44	362.72	2.24	-45.20
O=C(CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC1CC1	REAL300020243825	1	45	-1.0	-47.46	362.77	2.26	-45.20
O=C(NC1CCCS(=O)(=O)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243826	0	41	-1.0	-54.38	331.05	0.17	-54.21
O=C(NC1CCCS(=O)(=O)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243826	1	41	-1.0	-54.41	331.11	0.18	-54.23
CS(=O)(=O)CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020243827	0	47	-1.0	-54.54	378.19	3.84	-50.70
CS(=O)(=O)CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020243827	1	47	-1.0	-54.55	378.25	3.86	-50.69
O=C(NCC1(CC2=CC=C(F)C=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243828	0	48	-1.0	-45.11	386.52	7.27	-37.84
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CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCCO1	REAL300020243829	1	45	-1.0	-41.89	340.77	3.36	-38.53
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CN(C)C(=O)C1CCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020243841	1	49	-1.0	-52.05	381.60	2.93	-49.12
CCC1(CC)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)C1OC	REAL300020243842	0	54	-1.0	-44.65	385.79	5.49	-39.16
CCC1(CC)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)C1OC	REAL300020243842	1	54	-1.0	-44.67	385.84	5.51	-39.16
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CC(C)(C)OC(=O)CCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243845	1	52	-1.0	-46.96	403.43	5.82	-41.14
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COC1=CC=C(COCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020243846	1	49	-1.0	-45.15	394.94	3.86	-41.29
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CCC(CC)C1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCO1	REAL300020243852	0	54	-1.0	-41.56	396.97	5.19	-36.37
CCC(CC)C1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCO1	REAL300020243852	1	54	-1.0	-41.54	397.03	5.20	-36.34
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CC1=CN=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020243854	0	40	-1.0	-43.33	327.38	0.87	-42.46
CC1=CN=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020243854	1	40	-1.0	-43.42	327.43	0.89	-42.53
CC1(C)CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)(C)C1	REAL300020243855	0	53	-1.0	-42.29	383.45	6.05	-36.24
CC1(C)CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)(C)C1	REAL300020243855	1	53	-1.0	-42.33	383.50	6.07	-36.26
O=C(NCCOCC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243856	0	45	-1.0	-42.40	395.26	5.70	-36.70
O=C(NCCOCC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243856	1	45	-1.0	-42.41	395.32	5.72	-36.69
COCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C(F)=C1	REAL300020243857	0	45	-1.0	-43.82	371.08	4.63	-39.19
COCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C(F)=C1	REAL300020243857	1	45	-1.0	-43.81	371.13	4.64	-39.17
C[C@@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC(Cl)=CC=C1F	REAL300020243858	0	41	-1.0	-43.09	348.55	5.88	-37.21
C[C@@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC(Cl)=CC=C1F	REAL300020243858	1	41	-1.0	-43.08	348.61	5.90	-37.18
CC1=CN=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020243859	0	40	-1.0	-43.60	326.27	3.32	-40.28
CC1=CN=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020243859	1	40	-1.0	-43.61	326.21	3.31	-40.30
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NC(C2=CC=CC=C2)=NO1	REAL300020243860	0	49	-1.0	-48.00	401.20	4.58	-43.42
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NC(C2=CC=CC=C2)=NO1	REAL300020243860	1	49	-1.0	-47.97	401.14	4.57	-43.40
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020243861	0	51	-1.0	-46.04	413.00	6.90	-39.14
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020243861	1	51	-1.0	-46.04	412.94	6.88	-39.16
CC(CC1=C(Cl)C=CC=C1Cl)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243862	0	44	-1.0	-42.63	370.51	7.10	-35.53
CC(CC1=C(Cl)C=CC=C1Cl)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243862	1	44	-1.0	-42.65	370.57	7.11	-35.54
CCCN(CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300020243863	0	57	-1.0	-46.28	439.74	5.62	-40.66
CCCN(CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300020243863	1	57	-1.0	-46.29	439.80	5.63	-40.66
CCCCCN1C=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020243864	0	53	-1.0	-43.95	420.08	5.99	-37.96
CCCCCN1C=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020243864	1	53	-1.0	-43.94	420.14	6.01	-37.93
COC1=CC=C(CC(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020243865	0	55	-1.0	-47.26	426.52	5.75	-41.51
COC1=CC=C(CC(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020243865	1	55	-1.0	-47.28	426.58	5.76	-41.52
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020243866	0	53	0.0	-65.93	415.69	3.56	-62.37
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020243866	1	53	0.0	-65.98	415.74	3.57	-62.41
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020243867	0	43	-1.0	-50.56	346.42	5.71	-44.85
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020243867	1	43	-1.0	-50.54	346.48	5.72	-44.82
O=C(NC(C1=CC=CC(F)=C1)C1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243868	0	47	-1.0	-44.40	389.11	6.81	-37.59
O=C(NC(C1=CC=CC(F)=C1)C1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243868	1	47	-1.0	-44.42	389.16	6.82	-37.60
O=C(NCCOC1=CC=CC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243869	0	44	-1.0	-45.80	377.85	2.69	-43.11
O=C(NCCOC1=CC=CC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243869	1	44	-1.0	-45.82	377.80	2.67	-43.15
O=C(NCC12CCC(CC1)C2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243870	0	45	-1.0	-41.38	338.67	5.11	-36.27
O=C(NCC12CCC(CC1)C2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243870	1	45	-1.0	-41.40	338.72	5.12	-36.28
O=C(NCC1(C2CCCCC2)CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243871	0	60	-1.0	-41.60	408.03	8.96	-32.64
O=C(NCC1(C2CCCCC2)CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243871	1	60	-1.0	-41.64	408.09	8.97	-32.67
O=C(NC1CCC(F)(F)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243872	0	41	-1.0	-42.03	323.34	4.26	-37.77
O=C(NC1CCC(F)(F)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243872	1	41	-1.0	-42.03	323.40	4.27	-37.76
CC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCCC1	REAL300020243873	0	50	-1.0	-41.76	350.44	5.60	-36.16
CC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCCC1	REAL300020243873	1	50	-1.0	-41.79	350.50	5.61	-36.18
CC(C)(C)OC(=O)NC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC1	REAL300020243874	0	55	-1.0	-43.72	418.36	4.45	-39.27
CC(C)(C)OC(=O)NC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC1	REAL300020243874	1	55	-1.0	-43.71	418.41	4.47	-39.24
CC1=CC=CC(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=N2)=C1	REAL300020243875	0	50	-1.0	-46.28	399.08	7.17	-39.11
CC1=CC=CC(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=N2)=C1	REAL300020243875	1	50	-1.0	-46.34	399.13	7.19	-39.15
CC(C)(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020243876	0	59	-1.0	-42.86	435.80	8.60	-34.26
CC(C)(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020243876	1	59	-1.0	-42.88	435.86	8.62	-34.26
CC(C)(C)C1=NC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020243877	0	49	-1.0	-44.85	398.17	4.74	-40.11
CC(C)(C)C1=NC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020243877	1	49	-1.0	-44.87	398.23	4.75	-40.12
CCCCCCCCCCC(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243878	0	61	-1.0	-42.56	463.26	9.45	-33.11
CCCCCCCCCCC(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243878	1	61	-1.0	-42.63	463.31	9.46	-33.17
C[NH+](C)C1CCN(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020243879	0	55	0.0	-66.80	400.70	3.38	-63.42
C[NH+](C)C1CCN(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020243879	1	55	0.0	-66.79	400.76	3.39	-63.40
O=C(NC1CCCN(C2=CC=CC=C2F)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243880	0	50	-1.0	-45.53	391.04	5.36	-40.17
O=C(NC1CCCN(C2=CC=CC=C2F)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243880	1	50	-1.0	-45.53	391.09	5.38	-40.15
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CCC1=CC=C([C@H](C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020243881	1	47	-1.0	-42.01	370.32	6.75	-35.26
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CC(C)C1=CC=C2CCC[C@H](NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=C1	REAL300020243908	0	54	-1.0	-42.31	408.81	8.45	-33.86
CC(C)C1=CC=C2CCC[C@H](NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=C1	REAL300020243908	1	54	-1.0	-42.27	408.87	8.47	-33.80
CN1C=C(C2=CC=CC=C2CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020243909	0	48	-1.0	-47.59	384.40	6.52	-41.07
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O=C(CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCCCC1	REAL300020243910	1	48	-1.0	-50.74	368.87	3.74	-47.00
COC1=CC=C(OC)C(CCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020243911	0	52	-1.0	-45.70	410.70	4.63	-41.07
COC1=CC=C(OC)C(CCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020243911	1	52	-1.0	-45.72	410.76	4.65	-41.07
C[C@@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1F	REAL300020243912	0	41	-1.0	-43.70	338.23	5.44	-38.26
C[C@@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1F	REAL300020243912	1	41	-1.0	-43.67	338.29	5.46	-38.21
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(S(C)=O)C=C1	REAL300020243913	0	46	-1.0	-52.84	379.59	3.88	-48.96
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(S(C)=O)C=C1	REAL300020243913	1	46	-1.0	-52.84	379.64	3.90	-48.94
COC1=CC=C2CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)COC2=C1	REAL300020243914	0	47	-1.0	-46.27	370.94	3.71	-42.56
COC1=CC=C2CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)COC2=C1	REAL300020243914	1	47	-1.0	-46.30	371.00	3.73	-42.57
CC(C)CSCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243915	0	44	-1.0	-43.62	356.49	4.90	-38.72
CC(C)CSCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243915	1	44	-1.0	-43.66	356.55	4.92	-38.74
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O=C(NCC1CC(=O)N(CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243916	1	52	-1.0	-51.20	416.25	6.12	-45.08
O=C(NCCC1=NC2=C(CCCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243917	0	47	-1.0	-47.19	379.93	4.93	-42.26
O=C(NCCC1=NC2=C(CCCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243917	1	47	-1.0	-47.20	379.99	4.95	-42.25
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300020243918	0	47	-1.0	-44.70	373.31	7.54	-37.16
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300020243918	1	47	-1.0	-44.70	373.37	7.56	-37.14
C[C@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020243919	0	51	-1.0	-43.43	401.56	8.69	-34.74
C[C@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020243919	1	51	-1.0	-43.47	401.62	8.71	-34.76
C[C@@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C2CCCC2=C1	REAL300020243920	0	48	-1.0	-43.13	372.89	7.20	-35.93
C[C@@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C2CCCC2=C1	REAL300020243920	1	48	-1.0	-43.12	372.95	7.21	-35.91
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243921	0	55	-1.0	-52.64	415.12	4.82	-47.82
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243921	1	55	-1.0	-52.61	415.18	4.84	-47.77
C[C@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1Br	REAL300020243922	0	41	-1.0	-43.62	344.13	5.86	-37.76
C[C@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1Br	REAL300020243922	1	41	-1.0	-43.65	344.19	5.87	-37.78
O=C(NCC1(C2=CC=CC=C2Cl)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243923	0	45	-1.0	-42.88	371.32	6.78	-36.10
O=C(NCC1(C2=CC=CC=C2Cl)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243923	1	45	-1.0	-42.95	371.38	6.80	-36.15
CN1CC2=CC=CC=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243924	0	47	-1.0	-45.42	353.73	2.87	-42.55
CN1CC2=CC=CC=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243924	1	47	-1.0	-45.41	353.79	2.88	-42.53
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243924	1	48	0.0	-75.15	361.46	6.21	-68.94
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020243924	1	48	0.0	-73.03	362.06	6.17	-66.86
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243924	1	48	0.0	-75.23	361.52	6.23	-69.00
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020243924	1	48	0.0	-73.01	362.12	6.18	-66.83
COC1=CC=C2OCC[C@@H](NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=C1	REAL300020243925	0	47	-1.0	-49.41	363.79	3.35	-46.06
COC1=CC=C2OCC[C@@H](NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=C1	REAL300020243925	1	47	-1.0	-49.45	363.84	3.37	-46.08
COC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCOC1	REAL300020243926	0	43	-1.0	-43.08	331.41	0.37	-42.71
COC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCOC1	REAL300020243926	1	43	-1.0	-43.14	331.47	0.39	-42.75
COC1=CC=C2C(=C1)CCCC2CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243927	0	52	-1.0	-44.56	395.72	6.11	-38.45
COC1=CC=C2C(=C1)CCCC2CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243927	1	52	-1.0	-44.55	395.78	6.13	-38.42
CC1=CC=C(C(CC(F)(F)F)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020243928	0	47	-1.0	-44.39	375.42	6.52	-37.87
CC1=CC=C(C(CC(F)(F)F)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020243928	1	47	-1.0	-44.44	375.47	6.54	-37.90
O=C(NC1CCCC2=C1C=CS2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243929	0	42	-1.0	-43.85	336.57	5.06	-38.79
O=C(NC1CCCC2=C1C=CS2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020243929	1	42	-1.0	-43.86	336.63	5.07	-38.79
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020243930	0	53	-1.0	-45.10	411.12	5.61	-39.49
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COC(CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020244061	0	41	-1.0	-44.24	339.91	2.34	-41.90
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CC(C)C(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=NN1C	REAL300020244065	1	50	-1.0	-45.75	381.02	5.29	-40.46
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CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC2=CC=CC=C2S1	REAL300020244067	1	44	-1.0	-43.27	366.08	6.81	-36.46
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020244068	0	55	-1.0	-51.98	414.95	4.82	-47.16
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020244068	1	55	-1.0	-52.01	415.01	4.84	-47.17
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CC(C)(C)C1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244070	0	50	-1.0	-41.62	370.38	7.00	-34.62
CC(C)(C)C1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244070	1	50	-1.0	-41.63	370.44	7.01	-34.62
CC(C)(C)C1CCCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020244071	0	56	-1.0	-42.47	393.30	6.60	-35.87
CC(C)(C)C1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020244071	1	56	-1.0	-42.50	393.36	6.61	-35.89
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300020244072	0	47	-1.0	-44.24	385.76	6.81	-37.43
CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300020244072	1	47	-1.0	-44.31	385.82	6.83	-37.48
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020244073	0	53	0.0	-71.11	410.74	7.18	-63.93
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020244073	1	53	0.0	-71.10	410.80	7.20	-63.90
CCOC(CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)OCC	REAL300020244074	0	48	-1.0	-43.96	374.39	3.03	-40.93
CCOC(CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)OCC	REAL300020244074	1	48	-1.0	-43.96	374.45	3.05	-40.91
CC1(C)CCCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020244075	0	47	-1.0	-42.85	346.21	5.02	-37.83
CC1(C)CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020244075	1	47	-1.0	-42.82	346.27	5.03	-37.79
CC(C)(C)OC(=O)N1CCCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020244076	0	58	-1.0	-45.53	430.34	5.93	-39.60
CC(C)(C)OC(=O)N1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020244076	1	58	-1.0	-45.52	430.40	5.94	-39.58
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300020244077	0	50	-1.0	-43.24	398.33	7.28	-35.96
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300020244077	1	50	-1.0	-43.26	398.38	7.30	-35.96
C[C@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300020244078	0	44	-1.0	-42.23	366.10	6.29	-35.94
C[C@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300020244078	1	44	-1.0	-42.21	366.16	6.31	-35.90
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O=C(N[C@H]1CCOC2=C(F)C=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244079	1	43	-1.0	-43.98	341.03	4.06	-39.92
O=C(NCCC1=CC=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244080	0	45	-1.0	-47.30	369.47	4.83	-42.47
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C[NH+](C)C1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC1	REAL300020244081	0	47	0.0	-62.94	340.31	4.59	-58.35
C[NH+](C)C1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC1	REAL300020244081	1	47	0.0	-62.93	340.37	4.61	-58.32
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CCCC1	REAL300020244082	0	54	-1.0	-42.09	391.89	8.17	-33.92
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CCCC1	REAL300020244082	1	54	-1.0	-42.14	391.94	8.19	-33.95
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CNS(=O)(=O)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244084	1	39	-1.0	-52.19	328.15	-2.35	-54.54
CN1C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC2=CC=CC(Cl)=C21	REAL300020244085	0	44	-1.0	-45.63	368.79	5.13	-40.50
CN1C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC2=CC=CC(Cl)=C21	REAL300020244085	1	44	-1.0	-45.60	368.85	5.14	-40.46
COC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCC1	REAL300020244086	0	48	-1.0	-41.85	353.85	3.78	-38.07
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COC(C1=CC=CC=C1Cl)C(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244098	1	48	-1.0	-43.04	380.00	5.27	-37.77
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CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(N(C)C)C=C1	REAL300020244104	0	49	-1.0	-43.70	378.44	5.66	-38.04
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(N(C)C)C=C1	REAL300020244104	1	49	-1.0	-43.73	378.50	5.68	-38.05
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CCOC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1OC	REAL300020244107	0	46	-1.0	-45.04	364.91	2.56	-42.48
CCOC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1OC	REAL300020244107	1	46	-1.0	-45.03	364.96	2.58	-42.45
CCOC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1OC1=CC=CC=C1	REAL300020244108	0	53	-1.0	-43.44	419.52	5.43	-38.01
CCOC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1OC1=CC=CC=C1	REAL300020244108	1	53	-1.0	-43.49	419.58	5.44	-38.05
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CCOC(=O)N1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020244110	0	46	-1.0	-47.80	367.12	2.96	-44.84
CCOC(=O)N1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020244110	1	46	-1.0	-47.81	367.18	2.98	-44.83
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CC(C)C1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244112	0	47	-1.0	-42.30	365.90	6.23	-36.07
CC(C)C1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244112	1	47	-1.0	-42.34	365.95	6.25	-36.09
CCOC1CC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020244113	0	48	-1.0	-44.57	374.93	4.23	-40.34
CCOC1CC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020244113	1	48	-1.0	-44.61	374.99	4.24	-40.37
CN1N=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020244114	0	47	-1.0	-49.84	381.35	5.10	-44.74
CN1N=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020244114	1	47	-1.0	-49.81	381.41	5.11	-44.70
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CC(C)(C)OCC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020244116	0	50	-1.0	-45.78	396.66	3.75	-42.03
CC(C)(C)OCC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020244116	1	50	-1.0	-45.83	396.72	3.77	-42.06
CC1=CC=C(S(=O)(=O)CC(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020244117	0	50	-1.0	-51.08	410.82	4.10	-46.98
CC1=CC=C(S(=O)(=O)CC(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020244117	1	50	-1.0	-51.09	410.88	4.11	-46.98
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CC(C)(O)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020244120	0	48	-1.0	-43.36	377.01	3.26	-40.10
CC(C)(O)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020244120	1	48	-1.0	-43.38	377.07	3.27	-40.11
COC(=O)N1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020244121	0	40	-1.0	-47.24	329.21	1.18	-46.06
COC(=O)N1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020244121	1	40	-1.0	-47.29	329.27	1.19	-46.10
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CSCCCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244131	1	44	-1.0	-43.33	359.29	5.01	-38.32
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CC1=CC=C(NCCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020244133	0	48	-1.0	-46.10	382.76	3.87	-42.23
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CN1N=CC(CCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020244521	1	43	-1.0	-47.01	349.82	2.17	-44.84
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CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(N2CCOC2=O)C=C1	REAL300020244523	0	50	-1.0	-52.29	396.04	5.34	-46.95
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(N2CCOC2=O)C=C1	REAL300020244523	1	50	-1.0	-52.30	396.10	5.35	-46.95
COC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1	REAL300020244524	0	45	-1.0	-41.88	339.54	3.06	-38.82
COC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020244524	1	45	-1.0	-41.89	339.60	3.07	-38.82
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C[C@@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300020244527	0	48	-1.0	-50.98	390.17	6.66	-44.32
C[C@@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300020244527	1	48	-1.0	-50.91	390.11	6.64	-44.27
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COC1=CC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020244534	0	45	-1.0	-45.52	376.94	5.07	-40.45
COC1=CC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020244534	1	45	-1.0	-45.56	377.00	5.08	-40.48
CC1(C)CCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244535	0	47	-1.0	-42.34	349.03	4.99	-37.35
CC1(C)CCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244535	1	47	-1.0	-42.33	349.09	5.01	-37.32
COCC1(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC1	REAL300020244536	0	48	-1.0	-42.48	368.36	3.69	-38.79
COCC1(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC1	REAL300020244536	1	48	-1.0	-42.47	368.42	3.70	-38.77
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CC(CCCC1=CC=CN=C1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244737	0	49	-1.0	-46.86	389.01	6.00	-40.86
CC(CCCC1=CC=CN=C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244737	1	49	-1.0	-46.87	389.07	6.02	-40.85
CC(C)(C)C1=NN=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)N1	REAL300020244738	0	46	-1.0	-48.38	366.76	3.38	-45.00
CC(C)(C)C1=NN=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)N1	REAL300020244738	1	46	-1.0	-48.40	366.82	3.40	-45.00
COC1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020244739	0	45	-1.0	-43.76	344.69	3.13	-40.63
COC1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020244739	1	45	-1.0	-43.81	344.75	3.14	-40.67
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NN(C)C=C1	REAL300020244740	0	41	-1.0	-45.70	332.30	3.02	-42.68
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NN(C)C=C1	REAL300020244740	1	41	-1.0	-45.78	332.35	3.03	-42.75
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1COCC12OCCO2	REAL300020244741	0	54	-1.0	-44.49	389.74	2.51	-41.98
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1COCC12OCCO2	REAL300020244741	1	54	-1.0	-44.48	389.80	2.53	-41.95
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COC1=CC=CC2=C1CC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020244742	1	46	-1.0	-44.24	362.34	5.06	-39.18
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CN1C=CN=C1C1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCO1	REAL300020244745	0	49	-1.0	-47.74	379.73	4.09	-43.65
CN1C=CN=C1C1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCO1	REAL300020244745	1	49	-1.0	-47.77	379.79	4.10	-43.67
COC1=CC(F)=CC(CC(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020244746	0	48	-1.0	-45.05	385.53	5.59	-39.46
COC1=CC(F)=CC(CC(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020244746	1	48	-1.0	-45.04	385.58	5.60	-39.44
O=C(NC1CN(C(=O)OCC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244747	0	50	-1.0	-47.71	410.98	5.15	-42.56
O=C(NC1CN(C(=O)OCC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244747	1	50	-1.0	-47.75	411.04	5.16	-42.59
CC(C)(C)O[C@@H]1C[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1(C)C	REAL300020244748	0	54	-1.0	-42.76	399.87	5.83	-36.93
CC(C)(C)O[C@@H]1C[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1(C)C	REAL300020244748	1	54	-1.0	-42.78	399.93	5.85	-36.93
NC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020244749	0	42	-1.0	-48.83	329.92	0.23	-48.60
NC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020244749	1	42	-1.0	-48.84	329.98	0.25	-48.59
NC(=O)C1=CN(CCCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020244750	0	47	-1.0	-51.57	388.77	-0.69	-52.26
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CCO[C@@H]1CCC[C@H]1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244751	0	45	-1.0	-43.98	349.21	3.52	-40.46
CCO[C@@H]1CCC[C@H]1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244751	1	45	-1.0	-43.92	349.26	3.53	-40.39
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CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C2=CC=CC=C2)C1	REAL300020244755	0	54	-1.0	-43.22	405.81	8.59	-34.63
CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C2=CC=CC=C2)C1	REAL300020244755	1	54	-1.0	-43.21	405.87	8.60	-34.61
CC(CC1=CN(C)C2=CC=C(F)C=C12)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244756	0	51	-1.0	-49.09	412.50	7.93	-41.16
CC(CC1=CN(C)C2=CC=C(F)C=C12)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244756	1	51	-1.0	-49.10	412.56	7.95	-41.15
CC1CCCC(C)C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244757	0	47	-1.0	-41.15	339.51	5.62	-35.53
CC1CCCC(C)C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244757	1	47	-1.0	-41.14	339.57	5.64	-35.50
COCC1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020244758	0	48	-1.0	-43.43	365.95	3.83	-39.60
COCC1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020244758	1	48	-1.0	-43.43	366.01	3.84	-39.59
CCO[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244759	0	48	-1.0	-44.77	366.34	4.16	-40.61
CCO[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244759	1	48	-1.0	-44.77	366.40	4.18	-40.59
CC(C)(C)C1=CC=NC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244760	0	49	-1.0	-42.89	364.91	5.38	-37.51
CC(C)(C)C1=CC=NC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244760	1	49	-1.0	-42.89	364.96	5.40	-37.49
CC1=CC(C)=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020244761	0	43	-1.0	-44.29	343.93	4.05	-40.24
CC1=CC(C)=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020244761	1	43	-1.0	-44.31	343.99	4.07	-40.24
O=C(NCC1CCCC1C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244762	0	48	-1.0	-42.68	355.95	5.86	-36.82
O=C(NCC1CCCC1C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244762	1	48	-1.0	-42.67	356.00	5.87	-36.80
C[NH+]1CCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)(N2CCOCC2)CC1	REAL300020244763	0	60	0.0	-66.82	413.82	3.37	-63.45
C[NH+]1CCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)(N2CCOCC2)CC1	REAL300020244763	1	60	0.0	-66.81	413.88	3.39	-63.42
COC(C)(C(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC1	REAL300020244764	0	48	-1.0	-42.47	351.40	3.87	-38.60
COC(C)(C(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC1	REAL300020244764	1	48	-1.0	-42.46	351.46	3.89	-38.57
CCS(=O)(=O)CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244765	0	43	-1.0	-52.10	356.61	0.63	-51.47
CCS(=O)(=O)CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244765	1	43	-1.0	-52.06	356.66	0.65	-51.41
CCCC1CCCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244766	0	53	-1.0	-42.54	381.93	6.45	-36.09
CCCC1CCCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244766	1	53	-1.0	-42.54	381.99	6.46	-36.08
O=C(NC1CCC(C2=CC=C(Cl)C=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244767	0	48	-1.0	-42.88	388.79	7.52	-35.36
O=C(NC1CCC(C2=CC=C(Cl)C=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244767	1	48	-1.0	-42.89	388.84	7.54	-35.35
O=C(NCCS(=O)(=O)C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244768	0	41	-1.0	-53.63	344.24	0.71	-52.92
O=C(NCCS(=O)(=O)C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244768	1	41	-1.0	-53.63	344.30	0.72	-52.91
COC1=CC=CC([C@@H]2C[C@H]2CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020244769	0	49	-1.0	-45.21	388.51	5.88	-39.33
COC1=CC=CC([C@@H]2C[C@H]2CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020244769	1	49	-1.0	-45.19	388.56	5.89	-39.30
N#CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020244770	0	39	-1.0	-46.43	336.68	4.89	-41.54
N#CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020244770	1	39	-1.0	-46.43	336.74	4.90	-41.53
CCN1C=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020244771	0	41	-1.0	-47.25	334.31	2.99	-44.26
CCN1C=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020244771	1	41	-1.0	-47.27	334.37	3.00	-44.27
O=C(NCC1=NN=C(C2CC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244772	0	40	-1.0	-44.10	342.40	2.84	-41.26
O=C(NCC1=NN=C(C2CC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244772	1	40	-1.0	-44.13	342.46	2.86	-41.27
C[C@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1F	REAL300020244773	0	41	-1.0	-43.27	338.15	5.45	-37.82
C[C@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1F	REAL300020244773	1	41	-1.0	-43.28	338.21	5.47	-37.81
COCC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1	REAL300020244774	0	48	-1.0	-43.38	362.99	4.14	-39.24
COCC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020244774	1	48	-1.0	-43.41	363.04	4.15	-39.26
CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C12	REAL300020244775	0	47	-1.0	-43.17	370.48	7.08	-36.09
CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C12	REAL300020244775	1	47	-1.0	-43.13	370.53	7.10	-36.03
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O=C(NCC1(C2=C(F)C=CC=C2F)CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244777	1	48	-1.0	-41.88	377.66	7.03	-34.85
CS(=O)(=O)C1=CC=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244778	0	44	-1.0	-47.88	358.53	2.79	-45.09
CS(=O)(=O)C1=CC=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244778	1	44	-1.0	-47.88	358.59	2.80	-45.08
O=C(NC1CCN(C2=CC=C(F)C=C2)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244779	0	46	-1.0	-59.04	371.21	4.99	-54.05
O=C(NC1CCN(C2=CC=C(F)C=C2)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244779	1	46	-1.0	-59.06	371.27	5.01	-54.05
CS(=O)(=O)CC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC1	REAL300020244780	0	47	-1.0	-53.34	368.60	1.85	-51.49
CS(=O)(=O)CC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC1	REAL300020244780	1	47	-1.0	-53.30	368.66	1.87	-51.43
COC1=CC=CN=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244781	0	41	-1.0	-45.64	333.27	1.98	-43.66
COC1=CC=CN=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244781	1	41	-1.0	-45.66	333.32	2.00	-43.66
CC1(C)CCCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020244782	0	50	-1.0	-42.04	365.97	5.72	-36.32
CC1(C)CCCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020244782	1	50	-1.0	-42.06	366.03	5.73	-36.33
C[C@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCC(C)C1	REAL300020244783	0	50	-1.0	-41.96	363.20	6.01	-35.95
C[C@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCC(C)C1	REAL300020244783	1	50	-1.0	-41.93	363.26	6.02	-35.91
O=C(NCC1=NC=CC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244784	0	39	-1.0	-46.52	339.85	2.67	-43.85
O=C(NCC1=NC=CC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020244784	1	39	-1.0	-46.55	339.91	2.68	-43.87
COC(=O)[C@H]1C[C@@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020244785	0	41	-1.0	-44.35	331.74	3.52	-40.83
COC(=O)[C@H]1C[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020244785	1	41	-1.0	-44.37	331.79	3.54	-40.83
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CN=C1	REAL300020244786	0	46	-1.0	-45.69	354.80	4.51	-41.18
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CN=C1	REAL300020244786	1	46	-1.0	-45.71	354.74	4.49	-41.22
CC1(C)CCC(C)(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020244787	0	53	-1.0	-41.99	375.94	6.19	-35.80
CC1(C)CCC(C)(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020244787	1	53	-1.0	-42.05	376.00	6.20	-35.85
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O=C(NCC1CC[N@@H+]1C1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245247	1	51	0.0	-64.91	379.49	5.77	-59.14
O=C(NCC1CC[N@H+]1C1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245247	1	51	0.0	-64.03	378.53	5.77	-58.26
CC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC2CC2C1	REAL300020245248	0	45	-1.0	-41.68	341.85	5.48	-36.20
CC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC2CC2C1	REAL300020245248	1	45	-1.0	-41.69	341.90	5.50	-36.19
COC1=CC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020245249	0	44	-1.0	-46.02	358.50	1.93	-44.09
COC1=CC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020245249	1	44	-1.0	-46.01	358.56	1.94	-44.07
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CCC(CC1=CN(C)C2=CC=CC=C12)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245251	0	54	-1.0	-47.44	419.54	8.30	-39.14
CCC(CC1=CN(C)C2=CC=CC=C12)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245251	1	54	-1.0	-47.44	419.60	8.32	-39.12
CC1=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC(F)=CC=C2N1	REAL300020245252	0	48	-1.0	-46.45	390.11	5.86	-40.59
CC1=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC(F)=CC=C2N1	REAL300020245252	1	48	-1.0	-46.47	390.17	5.88	-40.59
CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245253	0	58	-1.0	-46.68	453.46	2.07	-44.61
CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245253	1	58	-1.0	-46.68	453.52	2.09	-44.59
O=C(NCC1=CN(C(F)F)C2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245254	0	45	-1.0	-44.85	373.70	6.21	-38.64
O=C(NCC1=CN(C(F)F)C2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245254	1	45	-1.0	-44.87	373.76	6.22	-38.65
C=CCCC(C)(C)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245255	0	47	-1.0	-42.29	355.96	5.49	-36.80
C=CCCC(C)(C)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245255	1	47	-1.0	-42.31	356.01	5.51	-36.80
CNS(=O)(=O)CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245256	0	42	-1.0	-50.82	349.60	-1.58	-52.40
CNS(=O)(=O)CCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245256	1	42	-1.0	-50.84	349.66	-1.57	-52.41
CC1=CC=CC(C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)C)=C1	REAL300020245257	0	50	-1.0	-41.93	375.67	7.18	-34.75
CC1=CC=CC(C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)C)=C1	REAL300020245257	1	50	-1.0	-41.92	375.73	7.19	-34.73
CN1C(=O)OC2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020245258	0	44	-1.0	-48.23	364.06	4.40	-43.83
CN1C(=O)OC2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020245258	1	44	-1.0	-48.27	364.12	4.41	-43.86
O=C(NCC1=NN=C(C2CCOCC2)N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245259	0	48	-1.0	-48.29	379.04	2.42	-45.87
O=C(NCC1=NN=C(C2CCOCC2)N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245259	1	48	-1.0	-48.25	379.10	2.43	-45.82
C[C@@H]1[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCS1(=O)=O	REAL300020245260	0	41	-1.0	-49.88	330.59	0.62	-49.26
C[C@@H]1[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCS1(=O)=O	REAL300020245260	1	41	-1.0	-49.88	330.65	0.64	-49.24
CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(=O)N1CCCC1	REAL300020245261	0	51	-1.0	-51.74	378.16	3.91	-47.83
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(=O)N1CCCC1	REAL300020245261	1	51	-1.0	-51.72	378.21	3.92	-47.80
COC(=O)CCNC(=O)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245262	0	47	-1.0	-57.52	386.57	1.34	-56.18
COC(=O)CCNC(=O)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245262	1	47	-1.0	-57.50	386.62	1.35	-56.15
CC1(C2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)OCCO1	REAL300020245263	0	50	-1.0	-44.26	397.50	4.81	-39.45
CC1(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)OCCO1	REAL300020245263	1	50	-1.0	-44.33	397.56	4.82	-39.51
CC1=NC=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020245264	0	40	-1.0	-42.39	335.60	3.22	-39.17
CC1=NC=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020245264	1	40	-1.0	-42.36	335.66	3.24	-39.12
CC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)N1C1=CC(C)=CC=C1	REAL300020245265	0	55	-1.0	-44.34	437.37	9.07	-35.27
CC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)N1C1=CC(C)=CC=C1	REAL300020245265	1	55	-1.0	-44.39	437.43	9.08	-35.31
CC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)N1C1=CC=CC=C1	REAL300020245266	0	52	-1.0	-44.41	417.62	8.47	-35.94
CC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)N1C1=CC=CC=C1	REAL300020245266	1	52	-1.0	-44.42	417.67	8.48	-35.94
CC1=C(C)C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020245267	0	41	-1.0	-42.16	337.44	4.74	-37.42
CC1=C(C)C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020245267	1	41	-1.0	-42.22	337.50	4.76	-37.46
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245268	0	57	0.0	-71.73	432.35	8.03	-63.70
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CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245268	1	57	0.0	-71.73	432.35	8.03	-63.70
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245268	1	57	0.0	-67.63	427.68	7.89	-59.74
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O=C(NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245272	1	60	0.0	-66.59	428.79	8.69	-57.90
O=C(NC1CCCCC[N@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245272	1	60	0.0	-68.39	428.16	8.68	-59.71
O=C(NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245272	1	60	0.0	-66.59	428.79	8.69	-57.90
O=C(NCC1=CC2=NC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245273	0	43	-1.0	-45.36	351.03	4.80	-40.56
O=C(NCC1=CC2=NC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245273	1	43	-1.0	-45.37	351.09	4.82	-40.55
CC(C)[C@@H]1C[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020245274	0	51	-1.0	-43.90	385.38	7.26	-36.64
CC(C)[C@@H]1C[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020245274	1	51	-1.0	-43.93	385.44	7.27	-36.66
O=C(N[C@@H]1CCC2=CC(Cl)=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245275	0	42	-1.0	-45.47	348.27	6.18	-39.29
O=C(N[C@@H]1CCC2=CC(Cl)=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245275	1	42	-1.0	-45.47	348.33	6.19	-39.28
O=C(N[C@@H]1CCO[C@H]1C1=CNC(=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245276	0	46	-1.0	-53.24	368.99	1.63	-51.61
O=C(N[C@@H]1CCO[C@H]1C1=CNC(=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245276	1	46	-1.0	-53.24	369.05	1.65	-51.59
O=C(N[C@H]1CCCC2=CC=C(Cl)C=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245277	0	45	-1.0	-47.86	359.70	6.46	-41.40
O=C(N[C@H]1CCCC2=CC=C(Cl)C=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245277	1	45	-1.0	-47.86	359.76	6.47	-41.39
CC(C)(C)C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N1	REAL300020245278	0	50	-1.0	-53.41	390.28	3.74	-49.67
CC(C)(C)C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N1	REAL300020245278	1	50	-1.0	-53.44	390.33	3.76	-49.68
CN1N=CC(Br)=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245279	0	38	-1.0	-43.13	331.85	2.59	-40.54
CN1N=CC(Br)=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245279	1	38	-1.0	-43.16	331.90	2.61	-40.55
O=C(NCC1=CC=NC(N2C=NC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245280	0	43	-1.0	-48.78	360.33	6.29	-42.49
O=C(NCC1=CC=NC(N2C=NC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245280	1	43	-1.0	-48.78	360.39	6.31	-42.47
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C12CC1CCCC2	REAL300020245281	0	48	-1.0	-42.34	352.62	6.07	-36.27
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C12CC1CCCC2	REAL300020245281	1	48	-1.0	-42.31	352.67	6.09	-36.22
CCN1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020245282	0	42	-1.0	-56.55	335.35	2.56	-53.99
CCN1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020245282	1	42	-1.0	-56.58	335.41	2.58	-54.00
O=C(NCC(N1C=NC=N1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245283	0	40	-1.0	-45.07	337.08	4.82	-40.25
O=C(NCC(N1C=NC=N1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245283	1	40	-1.0	-45.03	337.02	4.80	-40.23
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CC1	REAL300020245284	0	51	0.0	-77.60	386.63	5.15	-72.45
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CC1	REAL300020245284	1	51	0.0	-77.56	386.57	5.14	-72.42
CCC(F)(F)C(C)(C)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245285	0	46	-1.0	-46.02	351.08	4.95	-41.07
CCC(F)(F)C(C)(C)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245285	1	46	-1.0	-46.03	351.13	4.97	-41.06
CC1=CC=C(CCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020245286	0	50	-1.0	-43.27	389.69	7.14	-36.13
CC1=CC=C(CCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020245286	1	50	-1.0	-43.24	389.74	7.16	-36.08
CC1OC(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1C	REAL300020245287	0	45	-1.0	-42.77	332.11	3.26	-39.51
CC1OC(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1C	REAL300020245287	1	45	-1.0	-42.77	332.17	3.27	-39.50
O=C(N[C@@H]1CCC[C@@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245288	0	48	-1.0	-41.93	365.32	7.37	-34.56
O=C(N[C@@H]1CCC[C@@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245288	1	48	-1.0	-41.93	365.37	7.39	-34.54
O=C(N[C@@H]1CCO[C@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245289	0	46	-1.0	-44.19	364.74	4.83	-39.36
O=C(N[C@@H]1CCO[C@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245289	1	46	-1.0	-44.20	364.79	4.84	-39.36
O=C(NC1C2CC3COC1C3C2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245290	0	44	-1.0	-47.97	329.61	3.11	-44.86
O=C(NC1C2CC3COC1C3C2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245290	1	44	-1.0	-48.01	329.66	3.13	-44.88
C=CCCCCCCCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245291	0	56	-1.0	-42.06	434.79	8.22	-33.84
C=CCCCCCCCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245291	1	56	-1.0	-42.08	434.85	8.24	-33.84
O=C(N[C@@H]1C[C@H]1C1=CSC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245292	0	39	-1.0	-43.59	328.29	4.82	-38.77
O=C(N[C@@H]1C[C@H]1C1=CSC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245292	1	39	-1.0	-43.60	328.34	4.83	-38.77
O=C(N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245293	0	46	-1.0	-43.90	381.38	5.36	-38.54
O=C(N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245293	1	46	-1.0	-43.89	381.44	5.37	-38.52
O=C(NCCC1CC=CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245294	0	45	-1.0	-42.42	344.57	5.32	-37.10
O=C(NCCC1CC=CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245294	1	45	-1.0	-42.40	344.63	5.34	-37.06
O=C(N[C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245295	0	46	-1.0	-46.08	387.20	5.43	-40.65
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COC1=CC=C(C2CC2)C=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245422	0	49	-1.0	-43.57	387.67	5.87	-37.70
COC1=CC=C(C2CC2)C=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245422	1	49	-1.0	-43.61	387.73	5.88	-37.73
CC(C)OC1=CC(Cl)=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245423	0	48	-1.0	-42.33	394.91	5.86	-36.47
CC(C)OC1=CC(Cl)=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245423	1	48	-1.0	-42.40	394.97	5.87	-36.53
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O=C(NCC1=NC(C(F)(F)F)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245425	0	36	-1.0	-41.34	320.99	0.31	-41.03
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CN(C)C1=NNC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020245426	0	42	-1.0	-45.22	342.31	3.63	-41.59
CN(C)C1=NNC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020245426	1	42	-1.0	-45.27	342.36	3.65	-41.62
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CC1(C)CCC2=C(C1)C(CNC(=O)N1CCC(C3=N[N-]N=N3)CC1)=NO2	REAL300020245428	0	50	-1.0	-42.72	384.07	5.44	-37.28
CC1(C)CCC2=C(C1)C(CNC(=O)N1CCC(C3=NN=N[N-]3)CC1)=NO2	REAL300020245428	1	50	-1.0	-42.71	384.13	5.46	-37.25
CC(C)(C)OC(=O)C1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020245429	0	50	-1.0	-43.68	386.65	5.55	-38.13
CC(C)(C)OC(=O)C1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020245429	1	50	-1.0	-43.71	386.71	5.57	-38.14
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CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020245432	0	50	-1.0	-44.93	386.46	5.62	-39.31
CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020245432	1	50	-1.0	-44.95	386.52	5.64	-39.31
O=C(NCC1=CC=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245433	0	38	-1.0	-42.45	340.78	4.74	-37.71
O=C(NCC1=CC=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245433	1	38	-1.0	-42.44	340.84	4.76	-37.68
O=C(NCC1CC2CCCC2O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245434	0	46	-1.0	-43.76	349.63	3.64	-40.12
O=C(NCC1CC2CCCC2O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245434	1	46	-1.0	-43.76	349.69	3.66	-40.10
COC1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1O	REAL300020245435	0	46	-1.0	-48.03	371.67	2.36	-45.67
COC1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1O	REAL300020245435	1	46	-1.0	-48.03	371.73	2.37	-45.66
C#C[C@H]1CC[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020245436	0	43	-1.0	-43.71	338.82	5.22	-38.49
C#C[C@H]1CC[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020245436	1	43	-1.0	-43.73	338.89	5.24	-38.49
O=C(NCCN1C=CC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245437	0	41	-1.0	-50.12	353.81	3.43	-46.69
O=C(NCCN1C=CC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245437	1	41	-1.0	-50.13	353.76	3.41	-46.72
O=C(NCC1=CC=C(O)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245438	0	39	-1.0	-44.16	336.97	2.15	-42.01
O=C(NCC1=CC=C(O)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245438	1	39	-1.0	-44.20	337.03	2.16	-42.04
C[C@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020245439	0	43	-1.0	-49.56	345.94	5.72	-43.84
C[C@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020245439	1	43	-1.0	-49.58	346.00	5.74	-43.84
C[C@@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020245440	0	43	-1.0	-50.99	346.11	5.72	-45.27
C[C@@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020245440	1	43	-1.0	-50.97	346.17	5.74	-45.23
CN(C)C1=CN=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020245441	0	44	-1.0	-45.94	351.04	2.01	-43.93
CN(C)C1=CN=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020245441	1	44	-1.0	-45.98	351.09	2.02	-43.96
C[C@@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)N=C1	REAL300020245442	0	43	-1.0	-44.45	362.87	4.60	-39.85
C[C@@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)(F)F)N=C1	REAL300020245442	1	43	-1.0	-44.44	362.81	4.59	-39.85
O=C(NCCOC(F)(F)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245443	0	38	-1.0	-41.61	336.07	2.18	-39.43
O=C(NCCOC(F)(F)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245443	1	38	-1.0	-41.60	336.12	2.19	-39.41
O=C(NCCCC1CCOC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245444	0	44	-1.0	-51.00	348.14	4.07	-46.93
O=C(NCCCC1CCOC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245444	1	44	-1.0	-50.99	348.19	4.09	-46.90
C[C@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)N=C1	REAL300020245445	0	43	-1.0	-44.00	362.06	4.54	-39.46
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CC(C)(C)OC(=O)N1CC2C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2C1	REAL300020245476	1	56	-1.0	-47.80	432.70	5.36	-42.44
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CC1CC2=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2O1	REAL300020245479	0	46	-1.0	-43.65	366.79	5.02	-38.63
CC1CC2=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2O1	REAL300020245479	1	46	-1.0	-43.65	366.85	5.04	-38.61
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CC(C)(C)OC(=O)N1CCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245481	0	52	-1.0	-46.89	400.85	4.39	-42.50
CC(C)(C)OC(=O)N1CCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245481	1	52	-1.0	-46.91	400.90	4.41	-42.50
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COC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020245483	0	42	-1.0	-44.69	355.46	4.30	-40.39
COC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020245483	1	42	-1.0	-44.68	355.51	4.31	-40.37
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CCSC1=CC=CC=C1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245484	1	48	-1.0	-45.91	389.61	6.96	-38.95
CC1=CC(F)=CC=C1[C@@H](C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245485	0	44	-1.0	-42.60	348.13	5.86	-36.74
CC1=CC(F)=CC=C1[C@@H](C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245485	1	44	-1.0	-42.61	348.19	5.87	-36.74
CC1=CC(F)=CC=C1[C@H](C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245486	0	44	-1.0	-42.13	348.48	5.90	-36.23
CC1=CC(F)=CC=C1[C@H](C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245486	1	44	-1.0	-42.16	348.53	5.91	-36.25
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CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC(F)=CC=C1OC	REAL300020245599	1	48	-1.0	-44.19	374.69	5.21	-38.98
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CCC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300020245603	0	52	-1.0	-46.33	395.12	5.76	-40.57
CCC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300020245603	1	52	-1.0	-46.30	395.18	5.77	-40.53
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=C(F)C=CC=C1F	REAL300020245604	0	41	-1.0	-44.30	335.95	5.44	-38.86
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=C(F)C=CC=C1F	REAL300020245604	1	41	-1.0	-44.26	336.01	5.45	-38.81
COC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCSC1	REAL300020245605	0	43	-1.0	-43.09	338.47	2.67	-40.42
COC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCSC1	REAL300020245605	1	43	-1.0	-43.13	338.53	2.68	-40.45
COCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(C#N)=C1	REAL300020245606	0	46	-1.0	-45.00	379.23	4.90	-40.10
COCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(C#N)=C1	REAL300020245606	1	46	-1.0	-44.99	379.28	4.91	-40.08
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C[NH+](C)CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CN=C1	REAL300020245607	1	52	0.0	-68.53	402.76	5.95	-62.58
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CC(COCC1CCCCC1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245609	0	54	-1.0	-42.60	407.56	5.83	-36.77
CC(COCC1CCCCC1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245609	1	54	-1.0	-42.59	407.62	5.84	-36.75
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CN(C)N=N1	REAL300020245610	0	40	-1.0	-48.30	326.30	1.80	-46.50
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CN(C)N=N1	REAL300020245610	1	40	-1.0	-48.29	326.36	1.81	-46.48
CCCS(=O)(=O)N1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020245611	0	52	-1.0	-49.82	410.12	2.24	-47.58
CCCS(=O)(=O)N1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020245611	1	52	-1.0	-49.81	410.18	2.25	-47.56
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CCN1CCCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020245614	0	45	-1.0	-56.00	348.22	3.55	-52.45
CCN1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020245614	1	45	-1.0	-56.03	348.28	3.57	-52.46
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CC(C)OC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCOC1	REAL300020245616	0	49	-1.0	-42.77	370.18	2.22	-40.55
CC(C)OC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCOC1	REAL300020245616	1	49	-1.0	-42.80	370.24	2.23	-40.57
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CC1=CC=CC(NCCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020245624	0	45	-1.0	-46.44	361.42	3.07	-43.37
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CC1=CC=CC(NCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020245624	1	45	-1.0	-46.44	361.48	3.08	-43.36
CC1=CC=CC(NCCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=[NH+]1	REAL300020245624	1	46	0.0	-59.52	364.44	3.54	-55.98
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CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020245626	0	58	-1.0	-46.44	440.87	3.99	-42.45
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020245626	1	58	-1.0	-46.43	440.92	4.00	-42.43
CC(C)(C)OC(=O)NCC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020245627	0	55	-1.0	-45.07	425.94	3.42	-41.65
CC(C)(C)OC(=O)NCC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020245627	1	55	-1.0	-45.10	426.00	3.44	-41.66
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O=C(NC1CC2C=CC1CC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245629	1	43	-1.0	-42.04	322.57	5.15	-36.89
O=C(NCCOC1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245630	0	46	-1.0	-43.66	358.54	1.78	-41.88
O=C(NCCOC1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245630	1	46	-1.0	-43.62	358.60	1.79	-41.83
CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020245631	0	41	-1.0	-41.89	336.64	5.16	-36.73
CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020245631	1	41	-1.0	-41.92	336.70	5.17	-36.75
O=C(NCCOC1CCOC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245632	0	43	-1.0	-43.89	340.87	0.96	-42.93
O=C(NCCOC1CCOC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245632	1	43	-1.0	-43.87	340.93	0.97	-42.90
O=C(NCC1=NOC2=C1COCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245633	0	42	-1.0	-44.00	339.24	2.11	-41.89
O=C(NCC1=NOC2=C1COCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245633	1	42	-1.0	-43.99	339.29	2.13	-41.86
CCOCCOCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245634	0	45	-1.0	-44.50	360.93	1.73	-42.77
CCOCCOCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245634	1	45	-1.0	-44.48	360.99	1.74	-42.74
O=C(NCC1=CC=CC2=C1OCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245635	0	43	-1.0	-44.55	345.67	4.27	-40.28
O=C(NCC1=CC=CC2=C1OCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245635	1	43	-1.0	-44.58	345.72	4.29	-40.29
O=C(NC1CC(O)C12CCOCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245636	0	47	-1.0	-43.76	352.01	0.93	-42.83
O=C(NC1CC(O)C12CCOCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245636	1	47	-1.0	-43.78	352.06	0.95	-42.83
O=C(NCCC1=CC=CC2=C1OCCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245637	0	47	-1.0	-47.90	374.66	4.41	-43.49
O=C(NCCC1=CC=CC2=C1OCCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245637	1	47	-1.0	-47.94	374.72	4.42	-43.52
CC1=CC(F)=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020245638	0	41	-1.0	-44.42	341.93	5.17	-39.25
CC1=CC(F)=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020245638	1	41	-1.0	-44.45	341.99	5.18	-39.27
COCC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020245639	0	47	-1.0	-42.37	352.66	3.47	-38.90
COCC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C	REAL300020245639	1	47	-1.0	-42.40	352.71	3.48	-38.92
CN1N=C(C2CC2)C=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245640	0	45	-1.0	-43.02	362.24	4.08	-38.94
CN1N=C(C2CC2)C=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245640	1	45	-1.0	-43.01	362.30	4.10	-38.91
O=C(NCCC1=C(F)C=C(O)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245641	0	42	-1.0	-45.83	353.04	2.42	-43.41
O=C(NCCC1=C(F)C=C(O)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245641	1	42	-1.0	-45.81	353.10	2.43	-43.38
O=C(NCCC1=C(F)C=C([O-])C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245641	1	41	-2.0	-86.03	349.47	3.18	-82.85
O=C(NCCC1=C(F)C=C([O-])C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245641	1	41	-2.0	-86.10	349.53	3.19	-82.91
CCC1=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=NO1	REAL300020245642	0	43	-1.0	-41.85	348.63	4.01	-37.84
CCC1=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=NO1	REAL300020245642	1	43	-1.0	-41.88	348.69	4.02	-37.86
CC(C)(C)OC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C12CCOCC2	REAL300020245643	0	59	-1.0	-42.63	431.19	5.45	-37.18
CC(C)(C)OC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C12CCOCC2	REAL300020245643	1	59	-1.0	-42.55	431.25	5.47	-37.08
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC(Cl)=CC2=C1OCC2	REAL300020245644	0	46	-1.0	-44.62	378.79	5.73	-38.89
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC(Cl)=CC2=C1OCC2	REAL300020245644	1	46	-1.0	-44.58	378.85	5.74	-38.84
CC1(C)CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)(C)O1	REAL300020245645	0	51	-1.0	-44.09	375.54	3.85	-40.24
CC1(C)CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)(C)O1	REAL300020245645	1	51	-1.0	-44.06	375.60	3.87	-40.19
O=C(NCC1CC[N@@H+]1C1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245646	0	52	0.0	-67.20	383.18	3.49	-63.71
O=C(NCC1CC[N@H+]1C1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245646	1	52	0.0	-67.18	388.32	3.88	-63.30
O=C(NCC1CC[N@@H+]1C1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245646	1	52	0.0	-67.15	383.24	3.50	-63.65
O=C(NCC1CC[N@H+]1C1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245646	1	52	0.0	-67.21	388.38	3.90	-63.31
CN1N=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C1CC1	REAL300020245647	0	45	-1.0	-45.07	363.18	4.10	-40.97
CN1N=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C1CC1	REAL300020245647	1	45	-1.0	-45.06	363.24	4.11	-40.95
COC1=CC=CC(C2=NOC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=C1	REAL300020245648	0	48	-1.0	-48.63	394.42	4.90	-43.73
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CC(C)(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCOCC1	REAL300020245669	0	51	-1.0	-42.43	367.83	3.98	-38.45
CC(C)(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCOCC1	REAL300020245669	1	51	-1.0	-42.38	367.89	3.99	-38.39
CC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1[N+](=O)[O-]	REAL300020245670	0	46	-1.0	-47.17	370.92	6.28	-40.89
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CCC1=NOC(C2CCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)=N1	REAL300020245680	0	49	-1.0	-45.78	387.48	3.35	-42.43
CCC1=NOC(C2CCC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2)=N1	REAL300020245680	1	49	-1.0	-45.80	387.54	3.37	-42.43
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CC1CCC[N@@H+]1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245700	0	47	0.0	-62.41	353.00	4.47	-57.94
CC1CCC[N@H+]1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245700	1	47	0.0	-62.76	347.09	4.16	-58.60
CC1CCC[N@@H+]1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245700	1	47	0.0	-62.44	353.06	4.48	-57.96
CC1CCC[N@H+]1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245700	1	47	0.0	-62.75	347.15	4.18	-58.57
C[N@@H+]1CCCCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020245701	0	50	0.0	-65.92	360.95	5.44	-60.48
C[N@H+]1CCCCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020245701	1	50	0.0	-66.97	361.58	5.40	-61.57
C[N@@H+]1CCCCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020245701	1	50	0.0	-65.97	361.01	5.45	-60.52
C[N@H+]1CCCCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020245701	1	50	0.0	-67.03	361.64	5.41	-61.62
C[N@@H+]1C[C@@H](CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@H](C2=CC=CC=C2)C1	REAL300020245702	0	54	0.0	-69.88	410.71	7.25	-62.63
C[N@H+]1C[C@@H](CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@H](C2=CC=CC=C2)C1	REAL300020245702	1	54	0.0	-71.15	411.66	7.21	-63.94
C[N@@H+]1C[C@@H](CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@H](C2=CC=CC=C2)C1	REAL300020245702	1	54	0.0	-69.89	410.77	7.27	-62.62
C[N@H+]1C[C@@H](CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@H](C2=CC=CC=C2)C1	REAL300020245702	1	54	0.0	-71.15	411.71	7.23	-63.92
O=C(NCC1=C(Br)C=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245703	0	34	-1.0	-41.11	314.70	2.81	-38.30
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CC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC2(CC1)OCCO2	REAL300020245704	0	53	-1.0	-44.19	387.48	4.17	-40.02
CC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC2(CC1)OCCO2	REAL300020245704	1	53	-1.0	-44.17	387.54	4.19	-39.98
CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCS1	REAL300020245705	0	42	-1.0	-42.40	333.18	4.54	-37.86
CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCS1	REAL300020245705	1	42	-1.0	-42.42	333.24	4.56	-37.86
CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CO1	REAL300020245706	0	50	-1.0	-45.42	391.71	2.97	-42.45
CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CO1	REAL300020245706	1	50	-1.0	-45.41	391.77	2.99	-42.42
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CC1([NH+]2CCC2)CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020245710	0	54	0.0	-64.87	382.48	5.63	-59.24
CC1([NH+]2CCC2)CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020245710	1	54	0.0	-64.86	382.54	5.65	-59.21
CC1(C)C2CCC(C2)C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245711	0	51	-1.0	-41.94	359.32	6.42	-35.52
CC1(C)C2CCC(C2)C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245711	1	51	-1.0	-41.89	359.38	6.44	-35.45
CON(CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300020245712	0	52	-1.0	-48.96	408.94	3.82	-45.14
CON(CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300020245712	1	52	-1.0	-48.91	408.99	3.83	-45.08
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300020245713	0	51	-1.0	-49.91	404.95	6.32	-43.59
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300020245713	1	51	-1.0	-49.92	405.01	6.33	-43.59
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C2N=C(C3CC3)NC2=C1	REAL300020245713	1	51	-1.0	-48.04	405.06	6.34	-41.70
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C2N=C(C3CC3)NC2=C1	REAL300020245713	1	51	-1.0	-48.03	405.11	6.35	-41.68
O=C(NCCN1N=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245714	0	44	-1.0	-49.10	359.77	4.64	-44.46
O=C(NCCN1N=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245714	1	44	-1.0	-49.08	359.71	4.62	-44.46
O=C(NC1CCC2CC2CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245715	0	45	-1.0	-41.45	330.72	5.92	-35.53
O=C(NC1CCC2CC2CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245715	1	45	-1.0	-41.44	330.78	5.93	-35.51
O=C(NC1CCC2=C(F)C=C(F)C=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245716	0	42	-1.0	-42.70	345.55	5.85	-36.85
O=C(NC1CCC2=C(F)C=C(F)C=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245716	1	42	-1.0	-42.70	345.61	5.86	-36.84
NC(=O)C1C[C@H]2C[C@@H](NC(=O)N3CCC(C4=N[N-]N=N4)CC3)[C@H]2C1	REAL300020245717	0	46	-1.0	-45.65	343.10	2.19	-43.46
NC(=O)C1C[C@H]2C[C@@H](NC(=O)N3CCC(C4=NN=N[N-]4)CC3)[C@H]2C1	REAL300020245717	1	46	-1.0	-45.64	343.16	2.20	-43.44
CC1=CC=C(F)C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020245718	0	41	-1.0	-44.62	337.01	5.14	-39.48
CC1=CC=C(F)C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020245718	1	41	-1.0	-44.62	337.06	5.15	-39.47
O=C(NC1CCCN(C2=CC=C(F)C=C2)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245719	0	49	-1.0	-56.60	391.59	5.87	-50.73
O=C(NC1CCCN(C2=CC=C(F)C=C2)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245719	1	49	-1.0	-56.59	391.65	5.89	-50.70
CC(CC1=CC=NO1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245720	0	40	-1.0	-46.43	326.62	3.66	-42.77
CC(CC1=CC=NO1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245720	1	40	-1.0	-46.46	326.67	3.68	-42.78
O=C(NCC1CCCC12CCOCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245721	0	52	-1.0	-43.61	376.52	4.28	-39.33
O=C(NCC1CCCC12CCOCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245721	1	52	-1.0	-43.62	376.58	4.29	-39.33
O=C(NCC1CCS(=O)(=O)N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245722	0	40	-1.0	-53.60	327.16	-1.95	-55.55
O=C(NCC1CCS(=O)(=O)N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245722	1	40	-1.0	-53.63	327.22	-1.93	-55.56
COC1=CC=C(C(C)(C)C)C=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245723	0	54	-1.0	-43.45	414.63	6.09	-37.36
COC1=CC=C(C(C)(C)C)C=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245723	1	54	-1.0	-43.41	414.69	6.11	-37.30
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COCC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCO1	REAL300020245726	0	46	-1.0	-44.75	355.73	2.29	-42.46
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O=C(NCC12CCC(C1)C(=O)N2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245729	1	43	-1.0	-46.75	337.71	1.06	-45.69
O=C(N[C@H]1CCC2=CC(F)=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245730	0	42	-1.0	-43.03	339.43	5.77	-37.26
O=C(N[C@H]1CCC2=CC(F)=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245730	1	42	-1.0	-43.02	339.49	5.78	-37.24
O=C(NCCOC1CCS(=O)(=O)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245731	0	48	-1.0	-52.38	385.83	0.19	-52.19
O=C(NCCOC1CCS(=O)(=O)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245731	1	48	-1.0	-52.35	385.89	0.20	-52.15
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020245732	0	47	-1.0	-44.75	370.65	5.13	-39.62
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020245732	1	47	-1.0	-44.69	370.71	5.15	-39.54
CC1=CC=C(Br)C=C1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245733	0	44	-1.0	-43.20	368.07	6.29	-36.91
CC1=CC=C(Br)C=C1CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245733	1	44	-1.0	-43.21	368.13	6.31	-36.90
CN1C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCS1(=O)=O	REAL300020245734	0	43	-1.0	-52.51	344.86	0.14	-52.37
CN1C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCS1(=O)=O	REAL300020245734	1	43	-1.0	-52.54	344.91	0.16	-52.38
C[N@@H+]1CC2CCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2C1	REAL300020245735	0	51	0.0	-70.18	369.68	5.69	-64.49
C[N@H+]1CC2CCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2C1	REAL300020245735	1	51	0.0	-71.28	370.34	5.72	-65.56
C[N@@H+]1CC2CCC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2C1	REAL300020245735	1	51	0.0	-70.23	369.73	5.71	-64.52
C[N@H+]1CC2CCC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2C1	REAL300020245735	1	51	0.0	-71.27	370.40	5.73	-65.54
COC(=O)C1CC12CCC(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)CC2	REAL300020245736	0	51	-1.0	-47.95	393.62	5.98	-41.97
COC(=O)C1CC12CCC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)CC2	REAL300020245736	1	51	-1.0	-47.96	393.68	6.00	-41.96
COC(=O)CC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1	REAL300020245737	0	50	-1.0	-47.00	379.29	5.47	-41.53
COC(=O)CC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020245737	1	50	-1.0	-47.03	379.34	5.49	-41.54
NC(=O)C1CC2(C1)CC(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)CCS2	REAL300020245738	0	50	-1.0	-51.82	387.82	2.11	-49.71
NC(=O)C1CC2(C1)CC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)CCS2	REAL300020245738	1	50	-1.0	-51.86	387.87	2.12	-49.74
O=C(NC1CC2=NNC=C2C(C(F)(F)F)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245739	0	45	-1.0	-44.68	360.85	3.70	-40.98
O=C(NC1CC2=NNC=C2C(C(F)(F)F)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245739	1	45	-1.0	-44.68	360.91	3.71	-40.97
CC1=C(C(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SN=N1	REAL300020245740	0	39	-1.0	-42.59	327.30	2.37	-40.22
CC1=C(C(C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SN=N1	REAL300020245740	1	39	-1.0	-42.57	327.36	2.39	-40.18
CC1(C)COCC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020245741	0	46	-1.0	-42.96	353.47	1.98	-40.98
CC1(C)COCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020245741	1	46	-1.0	-42.99	353.53	2.00	-40.99
O=C(NCC1CC(=O)NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245742	0	46	-1.0	-48.22	365.76	3.59	-44.63
O=C(NCC1CC(=O)NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245742	1	46	-1.0	-48.23	365.82	3.60	-44.63
O=C(NCCCOC1CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245743	0	45	-1.0	-42.64	354.19	3.63	-39.01
O=C(NCCCOC1CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245743	1	45	-1.0	-42.69	354.25	3.64	-39.05
COC(=O)C1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)O1	REAL300020245744	0	44	-1.0	-46.31	368.59	4.00	-42.31
COC(=O)C1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)O1	REAL300020245744	1	44	-1.0	-46.30	368.65	4.02	-42.28
COC(=O)C1=C2CCCCN2C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020245745	0	52	-1.0	-46.76	412.64	6.16	-40.60
COC(=O)C1=C2CCCCN2C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020245745	1	52	-1.0	-46.75	412.70	6.18	-40.57
CC(C)C1=NOC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245746	0	43	-1.0	-42.77	348.14	3.72	-39.05
CC(C)C1=NOC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245746	1	43	-1.0	-42.76	348.20	3.73	-39.03
O=C(NCC1=CC=CC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245747	0	42	-1.0	-44.23	349.18	4.03	-40.20
O=C(NCC1=CC=CC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245747	1	42	-1.0	-44.30	349.24	4.04	-40.26
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CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020245782	0	58	-1.0	-47.35	437.94	3.98	-43.37
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020245782	1	58	-1.0	-47.39	438.00	3.99	-43.40
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NN=NN1C	REAL300020245783	0	39	-1.0	-45.90	319.01	1.08	-44.82
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NN=NN1C	REAL300020245783	1	39	-1.0	-45.86	319.07	1.09	-44.77
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COC(=O)C1CC2CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2C1	REAL300020245850	1	48	-1.0	-52.03	370.84	5.79	-46.24
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CCN1CCC2=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020245881	0	50	-1.0	-42.65	385.64	4.80	-37.85
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COCC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCO1	REAL300020245884	0	49	-1.0	-42.96	366.29	3.25	-39.71
COCC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCO1	REAL300020245884	1	49	-1.0	-42.97	366.35	3.27	-39.70
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CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CS(=O)(=O)C1	REAL300020245886	0	41	-1.0	-49.94	337.08	0.22	-49.72
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CS(=O)(=O)C1	REAL300020245886	1	41	-1.0	-49.98	337.14	0.24	-49.74
CC1=CC=CN=C1C(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245887	0	43	-1.0	-43.68	341.23	4.12	-39.56
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CC(C)(C)OC(=O)NCCC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020245888	0	58	-1.0	-47.96	445.48	4.09	-43.87
CC(C)(C)OC(=O)NCCC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020245888	1	58	-1.0	-48.00	445.54	4.10	-43.90
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COC1CC2(CC2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020245890	0	43	-1.0	-42.90	342.88	3.23	-39.67
COC1CC2(CC2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020245890	1	43	-1.0	-42.92	342.94	3.24	-39.68
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@@H](F)C1	REAL300020245891	0	52	-1.0	-46.34	405.32	4.16	-42.18
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@@H](F)C1	REAL300020245891	1	52	-1.0	-46.35	405.38	4.17	-42.18
NC(=O)C1CC2CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2C1	REAL300020245892	0	46	-1.0	-50.37	351.46	1.68	-48.69
NC(=O)C1CC2CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2C1	REAL300020245892	1	46	-1.0	-50.38	351.52	1.70	-48.68
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CCC(=O)N1CC[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020245894	0	45	-1.0	-47.68	353.27	2.97	-44.71
CCC(=O)N1CC[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020245894	1	45	-1.0	-47.70	353.33	2.98	-44.72
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CC[C@@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(=O)N(C)C	REAL300020245896	0	44	-1.0	-44.21	336.17	2.06	-42.15
CC[C@@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(=O)N(C)C	REAL300020245896	1	44	-1.0	-44.28	336.22	2.07	-42.21
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CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)(F)F)S1	REAL300020245898	0	41	-1.0	-41.48	359.63	5.55	-35.93
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)S1	REAL300020245898	1	41	-1.0	-41.53	359.69	5.57	-35.96
CC1(C)C2CCC(C2)C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245899	0	48	-1.0	-42.63	346.58	5.83	-36.80
CC1(C)C2CCC(C2)C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245899	1	48	-1.0	-42.68	346.64	5.85	-36.83
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CSC(C(F)(F)F)=C1	REAL300020245900	0	41	-1.0	-42.08	358.64	5.44	-36.64
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CSC(C(F)(F)F)=C1	REAL300020245900	1	41	-1.0	-42.09	358.70	5.46	-36.63
CC1CC2=CC=CC=C2C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245901	0	45	-1.0	-45.02	349.56	6.69	-38.33
CC1CC2=CC=CC=C2C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245901	1	45	-1.0	-44.99	349.62	6.71	-38.28
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COC(=O)CC(C)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246057	1	43	-1.0	-45.33	341.83	3.63	-41.70
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NC=CC(C(F)(F)F)=N1	REAL300020246058	0	42	-1.0	-45.51	358.99	3.46	-42.05
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NC=CC(C(F)(F)F)=N1	REAL300020246058	1	42	-1.0	-45.54	359.05	3.47	-42.07
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CC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CC[NH+](C)CC1	REAL300020246059	1	52	0.0	-62.95	380.70	3.35	-59.60
COC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)(OC)C1=CC=CC=N1	REAL300020246060	0	48	-1.0	-44.93	378.15	2.97	-41.96
COC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)(OC)C1=CC=CC=N1	REAL300020246060	1	48	-1.0	-44.93	378.09	2.96	-41.97
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CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NC(C(F)(F)F)=NO1	REAL300020246062	1	39	-1.0	-42.78	341.30	1.07	-41.71
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O=C(NCC1=CC=C(F)N=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246064	1	37	-1.0	-46.43	329.66	3.11	-43.32
CC1=NN(C2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)C=C1	REAL300020246065	0	47	-1.0	-46.78	387.46	5.54	-41.24
CC1=NN(C2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)C=C1	REAL300020246065	1	47	-1.0	-46.79	387.40	5.52	-41.27
CC1=CC=CC=C1C(CF)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246066	0	44	-1.0	-45.34	348.31	5.89	-39.45
CC1=CC=CC=C1C(CF)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246066	1	44	-1.0	-45.33	348.37	5.91	-39.42
O=C(NCC1=CC=C(C2=NNC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246067	0	45	-1.0	-46.36	368.78	4.49	-41.87
O=C(NCC1=CC=C(C2=NNC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246067	1	45	-1.0	-46.35	368.84	4.51	-41.84
O=C(NCC1CCC2(CCOC2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246068	0	47	-1.0	-45.53	362.24	1.81	-43.72
O=C(NCC1CCC2(CCOC2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246068	1	47	-1.0	-45.54	362.30	1.83	-43.71
CCC[NH+](CCC)CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246069	0	52	0.0	-64.53	386.05	5.59	-58.94
CCC[NH+](CCC)CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246069	1	52	0.0	-64.49	386.10	5.60	-58.89
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CCOC(=O)COC1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020246070	1	54	-1.0	-50.62	422.91	5.72	-44.90
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CC1(C)C2CCC1(CCNC(=O)N1CCC(C3=NN=N[N-]3)CC1)CC2	REAL300020246071	1	54	-1.0	-42.06	387.76	6.42	-35.64
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CC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020246074	0	38	-1.0	-41.55	321.79	4.19	-37.36
CC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020246074	1	38	-1.0	-41.56	321.84	4.20	-37.36
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=CC=C2)C=C1	REAL300020246075	0	48	-1.0	-46.53	388.36	6.42	-40.11
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=CC=C2)C=C1	REAL300020246075	1	48	-1.0	-46.51	388.41	6.44	-40.07
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COCCN1CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1=O	REAL300020246078	0	49	-1.0	-52.90	389.05	2.20	-50.70
COCCN1CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1=O	REAL300020246078	1	49	-1.0	-52.93	389.10	2.22	-50.71
C[C@@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C2OC(C)CC2=C1	REAL300020246079	0	49	-1.0	-44.49	384.46	5.90	-38.59
C[C@@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C2OC(C)CC2=C1	REAL300020246079	1	49	-1.0	-44.51	384.52	5.91	-38.60
CC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)COCCO1	REAL300020246080	0	43	-1.0	-43.99	329.21	1.37	-42.62
CC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)COCCO1	REAL300020246080	1	43	-1.0	-43.97	329.27	1.39	-42.58
O=C(NCC1=CC=CC2=CC=C(Cl)C=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246081	0	44	-1.0	-43.24	369.45	7.05	-36.19
O=C(NCC1=CC=CC2=CC=C(Cl)C=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246081	1	44	-1.0	-43.23	369.51	7.06	-36.17
C[C@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C2OC(C)CC2=C1	REAL300020246082	0	49	-1.0	-44.09	384.45	5.88	-38.21
C[C@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C2OC(C)CC2=C1	REAL300020246082	1	49	-1.0	-44.06	384.51	5.90	-38.16
CC1=CC([C@H](C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Br	REAL300020246083	0	44	-1.0	-42.16	366.89	6.46	-35.70
CC1=CC([C@H](C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Br	REAL300020246083	1	44	-1.0	-42.14	366.94	6.47	-35.67
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O=C(NCCCN1C=NN=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246086	0	39	-1.0	-51.97	322.49	2.40	-49.57
O=C(NCCCN1C=NN=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246086	1	39	-1.0	-51.93	322.43	2.39	-49.54
CC1=CC(C)=C2OCC[C@H](NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=C1	REAL300020246087	0	49	-1.0	-42.61	381.06	6.06	-36.55
CC1=CC(C)=C2OCC[C@H](NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=C1	REAL300020246087	1	49	-1.0	-42.58	381.11	6.08	-36.50
O=C(NCCC1COCCO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246088	0	43	-1.0	-46.36	336.89	1.43	-44.93
O=C(NCCC1COCCO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246088	1	43	-1.0	-46.37	336.95	1.45	-44.92
CC1=CC(C)=C2OCC[C@@H](NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=C1	REAL300020246089	0	49	-1.0	-43.02	381.25	6.05	-36.97
CC1=CC(C)=C2OCC[C@@H](NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=C1	REAL300020246089	1	49	-1.0	-43.03	381.31	6.06	-36.97
CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020246090	0	58	-1.0	-52.28	430.67	5.88	-46.40
CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020246090	1	58	-1.0	-52.23	430.72	5.90	-46.33
CC1(C)[C@@H]2C[C@H]1C(CCNC(=O)N1CCC(C3=N[N-]N=N3)CC1)=CC2	REAL300020246091	0	52	-1.0	-43.04	387.42	6.76	-36.28
CC1(C)[C@@H]2C[C@H]1C(CCNC(=O)N1CCC(C3=NN=N[N-]3)CC1)=CC2	REAL300020246091	1	52	-1.0	-43.08	387.47	6.77	-36.31
CC1(C)[C@@H]2C[C@@H](NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C[C@@H]21	REAL300020246092	0	45	-1.0	-42.00	339.67	5.26	-36.74
CC1(C)[C@@H]2C[C@@H](NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C[C@@H]21	REAL300020246092	1	45	-1.0	-41.98	339.72	5.27	-36.71
O=C(NCC1=CC2=NSN=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246093	0	39	-1.0	-44.77	334.16	2.76	-42.01
O=C(NCC1=CC2=NSN=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246093	1	39	-1.0	-44.80	334.21	2.77	-42.03
COCC1(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1	REAL300020246094	0	51	-1.0	-42.31	381.98	4.30	-38.01
COCC1(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020246094	1	51	-1.0	-42.36	382.04	4.31	-38.05
CC[NH+](CC)CCC(C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246095	0	52	0.0	-68.96	380.54	5.59	-63.37
CC[NH+](CC)CCC(C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246095	1	52	0.0	-69.02	380.60	5.61	-63.41
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CC1	REAL300020246096	0	59	0.0	-70.41	443.53	6.31	-64.10
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020246096	1	59	0.0	-70.44	443.58	6.32	-64.12
CS(=O)(=O)C1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020246097	0	47	-1.0	-52.99	392.10	2.74	-50.25
CS(=O)(=O)C1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020246097	1	47	-1.0	-52.98	392.16	2.76	-50.22
CN1C=C(N2CCC[C@@H]2CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020246098	0	50	-1.0	-43.65	382.05	2.80	-40.85
CN1C=C(N2CCC[C@@H]2CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020246098	1	50	-1.0	-43.70	382.00	2.78	-40.92
CC(C)(C)OC(=O)NC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)COC1	REAL300020246099	0	53	-1.0	-45.28	406.11	1.54	-43.74
CC(C)(C)OC(=O)NC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)COC1	REAL300020246099	1	53	-1.0	-45.31	406.17	1.55	-43.76
CC1=CC=CC(N2CCC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)=C1	REAL300020246100	0	50	-1.0	-42.25	386.49	5.01	-37.24
CC1=CC=CC(N2CCC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2)=C1	REAL300020246100	1	50	-1.0	-42.21	386.54	5.02	-37.19
CC1(C)SCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246101	0	45	-1.0	-43.54	348.87	4.86	-38.68
CC1(C)SCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246101	1	45	-1.0	-43.57	348.93	4.88	-38.69
O=C(NCC1CCCC2(CCOC2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246102	0	50	-1.0	-43.85	376.10	2.43	-41.42
O=C(NCC1CCCC2(CCOC2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246102	1	50	-1.0	-43.80	376.16	2.45	-41.35
O=C(NCC1(C2=CC=CC=C2)CCCCO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246103	0	52	-1.0	-42.57	388.62	6.00	-36.57
O=C(NCC1(C2=CC=CC=C2)CCCCO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246103	1	52	-1.0	-42.60	388.67	6.01	-36.59
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C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020246242	0	51	0.0	-62.93	359.33	5.21	-57.72
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020246242	1	51	0.0	-67.08	360.54	5.07	-62.01
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020246242	1	51	0.0	-62.97	359.39	5.23	-57.74
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020246242	1	51	0.0	-67.09	360.60	5.09	-62.00
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CC(F)(F)C1=CC=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020246244	1	44	-1.0	-42.70	363.19	5.99	-36.71
CN1CC[C@@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020246245	0	50	-1.0	-45.94	401.64	4.95	-40.99
CN1CC[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020246245	1	50	-1.0	-45.96	401.70	4.96	-41.00
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CC1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020246247	0	44	-1.0	-42.30	348.34	5.65	-36.65
CC1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020246247	1	44	-1.0	-42.28	348.40	5.67	-36.61
CC1(C)OC2(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)CC1C2	REAL300020246248	0	46	-1.0	-42.23	351.75	3.33	-38.90
CC1(C)OC2(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)CC1C2	REAL300020246248	1	46	-1.0	-42.21	351.81	3.34	-38.87
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O=C(NCCN1C=C(C2CCOC2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246249	1	49	-1.0	-48.69	389.39	3.11	-45.58
CN1CC[C@@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020246250	0	50	-1.0	-42.43	405.80	5.50	-36.93
CN1CC[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020246250	1	50	-1.0	-42.46	405.86	5.51	-36.95
C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020246250	1	51	0.0	-72.63	396.41	6.68	-65.95
C[N@H+]1CC[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020246250	1	51	0.0	-72.69	405.83	7.53	-65.16
CCC(NC(=O)CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020246251	0	51	-1.0	-44.01	400.21	4.41	-39.60
CCC(NC(=O)CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020246251	1	51	-1.0	-44.05	400.27	4.43	-39.62
CC1(C)C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCS1(=O)=O	REAL300020246252	0	47	-1.0	-50.50	365.67	1.28	-49.22
CC1(C)C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCS1(=O)=O	REAL300020246252	1	47	-1.0	-50.51	365.73	1.30	-49.21
COC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020246253	0	42	-1.0	-42.87	355.46	4.30	-38.57
COC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020246253	1	42	-1.0	-42.84	355.52	4.31	-38.53
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CC(C)(C)OC(=O)C1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020246288	1	56	-1.0	-43.81	417.54	7.25	-36.56
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COC1=CC=C(C(CF)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020246292	0	45	-1.0	-45.86	360.22	4.62	-41.24
COC1=CC=C(C(CF)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020246292	1	45	-1.0	-45.84	360.28	4.64	-41.20
CCCN1C=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020246293	0	44	-1.0	-46.61	355.82	3.76	-42.85
CCCN1C=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020246293	1	44	-1.0	-46.62	355.88	3.77	-42.85
O=C(NC(CC1=CC=CC=C1)CC1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246294	0	60	-1.0	-42.87	439.01	9.76	-33.11
O=C(NC(CC1=CC=CC=C1)CC1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246294	1	60	-1.0	-42.85	439.06	9.78	-33.07
CCN1CC(C)(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020246295	0	45	-1.0	-51.35	357.59	2.99	-48.36
CCN1CC(C)(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020246295	1	45	-1.0	-51.35	357.65	3.01	-48.34
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O=C(NC(CF)C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246296	1	41	-1.0	-44.56	347.52	5.87	-38.69
O=C(NCCN1C=CC(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246297	0	45	-1.0	-48.64	364.12	4.51	-44.13
O=C(NCCN1C=CC(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246297	1	45	-1.0	-48.61	364.18	4.52	-44.09
O=C(NCC1=NC2=C(CCCCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246298	0	47	-1.0	-42.60	375.80	4.74	-37.86
O=C(NCC1=NC2=C(CCCCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246298	1	47	-1.0	-42.59	375.86	4.76	-37.83
O=C(N[C@H]1CC2(CCC2)OC2=CC=C(F)C=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246299	0	50	-1.0	-44.58	385.86	5.90	-38.68
O=C(N[C@H]1CC2(CCC2)OC2=CC=C(F)C=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246299	1	50	-1.0	-44.57	385.92	5.91	-38.66
CC(C)C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246300	0	49	-1.0	-53.21	380.92	1.86	-51.35
CC(C)C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246300	1	49	-1.0	-53.23	380.97	1.88	-51.35
C=C1[C@@H]2C[C@H](CC1NC(=O)N1CCC(C3=N[N-]N=N3)CC1)C2(C)C	REAL300020246301	0	49	-1.0	-42.06	358.26	5.61	-36.45
C=C1[C@@H]2C[C@H](CC1NC(=O)N1CCC(C3=NN=N[N-]3)CC1)C2(C)C	REAL300020246301	1	49	-1.0	-42.05	358.32	5.62	-36.43
CC1(C)CCC2=C(C1)SC(CNC(=O)N1CCC(C3=N[N-]N=N3)CC1)=N2	REAL300020246302	0	50	-1.0	-42.22	394.15	5.10	-37.12
CC1(C)CCC2=C(C1)SC(CNC(=O)N1CCC(C3=NN=N[N-]3)CC1)=N2	REAL300020246302	1	50	-1.0	-42.18	394.20	5.11	-37.07
O=C(NC1CCCC12CCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246303	0	48	-1.0	-41.77	348.06	6.31	-35.46
O=C(NC1CCCC12CCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246303	1	48	-1.0	-41.74	348.12	6.32	-35.42
CC(CCC1=CC=CC=C1F)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246304	0	47	-1.0	-44.58	378.16	7.04	-37.54
CC(CCC1=CC=CC=C1F)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246304	1	47	-1.0	-44.57	378.21	7.05	-37.52
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C[N@@H+]1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC12CCC2	REAL300020246510	0	48	0.0	-62.18	354.62	4.72	-57.46
C[N@H+]1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC12CCC2	REAL300020246510	1	48	0.0	-61.12	352.02	4.64	-56.48
C[N@@H+]1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC12CCC2	REAL300020246510	1	48	0.0	-62.17	354.67	4.73	-57.44
C[N@H+]1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC12CCC2	REAL300020246510	1	48	0.0	-61.13	352.07	4.66	-56.47
O=C(NCC1=CN=C(C2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246511	0	46	-1.0	-45.38	376.61	4.36	-41.02
O=C(NCC1=CN=C(C2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246511	1	46	-1.0	-45.37	376.67	4.38	-40.99
CN(C)C(=O)CCCCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246512	0	50	-1.0	-48.99	392.53	4.05	-44.94
CN(C)C(=O)CCCCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246512	1	50	-1.0	-49.01	392.59	4.07	-44.94
CC1=NC2=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2N1	REAL300020246513	0	44	-1.0	-49.44	357.60	3.95	-45.49
CC1=NC2=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2N1	REAL300020246513	1	44	-1.0	-49.44	357.66	3.96	-45.48
CC1=NC2=CC=C(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2N1	REAL300020246513	1	44	-1.0	-47.75	357.60	3.93	-43.82
CC1=NC2=CC=C(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2N1	REAL300020246513	1	44	-1.0	-47.78	357.66	3.94	-43.84
O=C(NCC1CCC2C(CC1)C2(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246514	0	48	-1.0	-43.80	365.89	6.17	-37.63
O=C(NCC1CCC2C(CC1)C2(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246514	1	48	-1.0	-43.77	365.95	6.19	-37.58
CN1N=C(C2=CC=CC=C2)C=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246515	0	48	-1.0	-44.40	389.99	5.56	-38.84
CN1N=C(C2=CC=CC=C2)C=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246515	1	48	-1.0	-44.40	390.05	5.58	-38.82
CC1=CN=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1C	REAL300020246516	0	45	-1.0	-48.31	360.38	3.54	-44.77
CC1=CN=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1C	REAL300020246516	1	45	-1.0	-48.27	360.44	3.56	-44.71
COC(=O)[C@H]1C[C@@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1(C)C	REAL300020246517	0	47	-1.0	-43.74	362.70	4.62	-39.12
COC(=O)[C@H]1C[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1(C)C	REAL300020246517	1	47	-1.0	-43.78	362.76	4.63	-39.15
COC(=O)C1(C)CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020246518	0	44	-1.0	-44.96	347.84	4.37	-40.59
COC(=O)C1(C)CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020246518	1	44	-1.0	-44.97	347.89	4.39	-40.58
COC(=O)C1=CC=CC=C1[C@H]1C[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020246519	0	51	-1.0	-46.21	403.77	6.93	-39.28
COC(=O)C1=CC=CC=C1[C@H]1C[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020246519	1	51	-1.0	-46.21	403.82	6.95	-39.26
O=C(NCC1CN(C2=CC=CC=C2)C(=O)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246520	0	47	-1.0	-51.13	378.14	4.56	-46.57
O=C(NCC1CN(C2=CC=CC=C2)C(=O)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246520	1	47	-1.0	-51.17	378.19	4.57	-46.60
O=C(NCCCCC1=CNN=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246521	0	47	-1.0	-50.40	388.58	3.99	-46.41
O=C(NCCCCC1=CNN=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246521	1	47	-1.0	-50.43	388.64	4.01	-46.42
O=C(NCC1=CC=C(Cl)C(F)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246522	0	38	-1.0	-46.48	338.06	5.03	-41.45
O=C(NCC1=CC=C(Cl)C(F)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246522	1	38	-1.0	-46.50	338.12	5.05	-41.45
C[C@@H]1[C@@H](CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1(F)F	REAL300020246523	0	38	-1.0	-43.58	313.50	3.79	-39.79
C[C@@H]1[C@@H](CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1(F)F	REAL300020246523	1	38	-1.0	-43.50	313.56	3.80	-39.70
O=C(NCCCC1=CNN=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246524	0	44	-1.0	-47.79	367.09	3.21	-44.58
O=C(NCCCC1=CNN=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246524	1	44	-1.0	-47.78	367.15	3.23	-44.55
O=C(NCCC1CC2(CCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246525	0	48	-1.0	-42.67	368.57	6.13	-36.54
O=C(NCCC1CC2(CCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246525	1	48	-1.0	-42.66	368.63	6.15	-36.51
C[C@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Br)C=C1	REAL300020246526	0	41	-1.0	-41.66	348.66	5.91	-35.75
C[C@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Br)C=C1	REAL300020246526	1	41	-1.0	-41.69	348.72	5.93	-35.76
O=C(NCC1=NNC(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246527	0	43	-1.0	-47.50	353.11	2.31	-45.19
O=C(NCC1=NNC(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246527	1	43	-1.0	-47.57	353.16	2.32	-45.25
O=C(NCCC1=CC=CN=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246528	0	40	-1.0	-47.03	339.13	3.75	-43.28
O=C(NCCC1=CC=CN=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246528	1	40	-1.0	-47.06	339.07	3.74	-43.32
O=C(NCCCC1=CNN=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246529	0	44	-1.0	-47.79	367.09	3.21	-44.58
O=C(NCCCC1=CNN=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246529	1	44	-1.0	-47.78	367.15	3.23	-44.55
O=C(NCCOC1=CNN=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246530	0	42	-1.0	-48.61	361.52	1.54	-47.07
O=C(NCCOC1=CNN=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246530	1	42	-1.0	-48.62	361.58	1.56	-47.06
COC1=CC=C([C@@H](C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020246531	0	49	-1.0	-45.59	386.17	4.49	-41.10
COC1=CC=C([C@@H](C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020246531	1	49	-1.0	-45.63	386.23	4.50	-41.13
CC1=NC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)N1C	REAL300020246532	0	41	-1.0	-43.65	329.59	3.37	-40.28
CC1=NC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)N1C	REAL300020246532	1	41	-1.0	-43.65	329.65	3.38	-40.27
O=C(NCC1=CSC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246533	0	35	-1.0	-41.85	316.95	4.00	-37.85
O=C(NCC1=CSC(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246533	1	35	-1.0	-41.83	317.00	4.01	-37.82
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC(F)=C(F)C(F)=C1	REAL300020246534	0	41	-1.0	-42.68	346.38	5.47	-37.21
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC(F)=C(F)C(F)=C1	REAL300020246534	1	41	-1.0	-42.69	346.43	5.49	-37.20
COC(=O)C1CCCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020246535	0	50	-1.0	-45.20	377.15	5.14	-40.06
COC(=O)C1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020246535	1	50	-1.0	-45.22	377.20	5.16	-40.06
O=C(NCCCN1C=NC2=C1CCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246536	0	51	-1.0	-47.28	396.28	7.08	-40.20
O=C(NCCCN1C=NC2=C1CCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246536	1	51	-1.0	-47.31	396.33	7.10	-40.21
O=C(NCCCN1C=[NH+]C2=C1CCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246536	1	52	0.0	-62.04	399.76	7.56	-54.48
O=C(NCCC1=CC=CC(Cl)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246537	0	41	-1.0	-45.35	353.15	5.75	-39.60
O=C(NCCC1=CC=CC(Cl)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246537	1	41	-1.0	-45.37	353.21	5.77	-39.60
COC(CNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC(F)(F)C1	REAL300020246538	0	45	-1.0	-45.18	359.51	3.33	-41.85
COC(CNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC(F)(F)C1	REAL300020246538	1	45	-1.0	-45.21	359.56	3.34	-41.87
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246539	0	45	0.0	-65.08	340.16	2.08	-63.00
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246539	1	45	0.0	-65.12	340.22	2.09	-63.03
CN(C)[C@@H]1COC[C@H]1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246539	1	44	-1.0	-42.21	337.23	-0.31	-42.52
CC1=NN=C([C@H]2C[C@@H](NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)O1	REAL300020246540	0	43	-1.0	-47.49	349.44	-0.48	-47.97
CC1=NN=C([C@H]2C[C@@H](NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2)O1	REAL300020246540	1	43	-1.0	-47.50	349.49	-0.47	-47.97
O=C(N[C@@H]1C[C@H]1C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246541	0	42	-1.0	-43.89	370.97	6.85	-37.04
O=C(N[C@@H]1C[C@H]1C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246541	1	42	-1.0	-43.90	371.03	6.87	-37.03
CC(C)(C)C1=CN=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020246542	0	49	-1.0	-41.92	381.38	4.96	-36.96
CC(C)(C)C1=CN=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020246542	1	49	-1.0	-41.92	381.33	4.94	-36.98
O=C(NC1COC2=CC=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246543	0	44	-1.0	-47.34	350.44	2.21	-45.13
O=C(NC1COC2=CC=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246543	1	44	-1.0	-47.30	350.50	2.23	-45.07
O=C(NCC1(C2=CC=CC=C2)CCOC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246544	0	49	-1.0	-44.34	373.87	5.63	-38.71
O=C(NCC1(C2=CC=CC=C2)CCOC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246544	1	49	-1.0	-44.35	373.93	5.64	-38.71
COC1C2CCCC2C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246545	0	46	-1.0	-44.21	349.23	3.75	-40.46
COC1C2CCCC2C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246545	1	46	-1.0	-44.19	349.28	3.77	-40.42
CN(CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)S(C)(=O)=O	REAL300020246546	0	42	-1.0	-55.80	348.31	-0.54	-56.34
CN(CCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)S(C)(=O)=O	REAL300020246546	1	42	-1.0	-55.83	348.37	-0.53	-56.36
CC1=NC=CN1C1=CC=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020246547	0	48	-1.0	-46.12	389.72	6.91	-39.21
CC1=NC=CN1C1=CC=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020246547	1	48	-1.0	-46.12	389.78	6.93	-39.19
O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246548	0	54	0.0	-66.47	391.12	6.48	-59.99
O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246548	1	54	0.0	-65.33	387.04	7.03	-58.30
O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246548	1	54	0.0	-66.48	391.18	6.50	-59.98
O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246548	1	54	0.0	-65.35	387.10	7.05	-58.30
O=C(NC1CC2(C1)NC(=O)NC2=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246549	0	41	-1.0	-46.18	336.26	-2.09	-48.27
O=C(NC1CC2(C1)NC(=O)NC2=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246549	1	41	-1.0	-46.16	336.31	-2.08	-48.24
O=C(NC1CCC2=NC(C(F)(F)F)=CN2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246550	0	45	-1.0	-46.55	372.05	5.02	-41.53
O=C(NC1CCC2=NC(C(F)(F)F)=CN2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246550	1	45	-1.0	-46.56	372.11	5.03	-41.53
O=C(NCC1=CC=CC=C1OCC1CCCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246551	0	58	-1.0	-43.48	443.44	8.11	-35.37
O=C(NCC1=CC=CC=C1OCC1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246551	1	58	-1.0	-43.48	443.50	8.12	-35.36
O=C(NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246552	0	58	0.0	-63.65	431.35	8.30	-55.35
O=C(NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246552	1	58	0.0	-62.00	431.79	8.30	-53.70
O=C(NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246552	1	58	0.0	-63.62	431.41	8.32	-55.30
O=C(NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246552	1	58	0.0	-62.00	431.85	8.31	-53.69
COC1=CC=C([C@H]2C[C@@H](NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)C=C1	REAL300020246553	0	49	-1.0	-44.90	383.39	5.68	-39.22
COC1=CC=C([C@H]2C[C@@H](NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2)C=C1	REAL300020246553	1	49	-1.0	-44.90	383.45	5.70	-39.20
CC1(C)COCCC1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246554	0	48	-1.0	-42.41	352.63	3.23	-39.18
CC1(C)COCCC1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246554	1	48	-1.0	-42.48	352.69	3.25	-39.23
COC1=CC(CCC(C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1O	REAL300020246555	0	52	-1.0	-47.27	412.95	4.13	-43.14
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COC(=O)[C@@H]1C[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@H]2OC(C)(C)O[C@@H]12	REAL300020246641	1	53	-1.0	-45.08	415.65	3.76	-41.32
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CC(C)(C)C1=CC=CN=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246682	1	49	-1.0	-44.69	367.47	5.07	-39.62
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CN1N=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020246685	0	38	-1.0	-43.65	328.94	2.48	-41.17
CN1N=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020246685	1	38	-1.0	-43.68	329.00	2.49	-41.19
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O=C(NCC1CC2(CC2F)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246687	1	42	-1.0	-42.72	337.40	5.00	-37.72
O=C(NCC1=NC(CC(F)(F)F)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246688	0	40	-1.0	-48.18	355.26	3.50	-44.68
O=C(NCC1=NC(CC(F)(F)F)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246688	1	40	-1.0	-48.22	355.32	3.52	-44.70
CS(=O)(=O)[C@@]1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C[C@@H]1C(F)(F)F	REAL300020246689	0	44	-1.0	-51.82	372.05	1.76	-50.06
CS(=O)(=O)[C@@]1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C[C@@H]1C(F)(F)F	REAL300020246689	1	44	-1.0	-51.90	372.11	1.78	-50.12
CC1(C)CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)(C)O1	REAL300020246690	0	51	-1.0	-42.94	378.32	4.41	-38.53
CC1(C)CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)(C)O1	REAL300020246690	1	51	-1.0	-42.92	378.38	4.43	-38.49
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C12CCC(CC1)C2	REAL300020246691	0	48	-1.0	-41.62	353.50	5.68	-35.94
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C12CCC(CC1)C2	REAL300020246691	1	48	-1.0	-41.58	353.56	5.69	-35.89
COC1=CC(C(F)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020246692	0	45	-1.0	-44.64	381.74	5.12	-39.52
COC1=CC(C(F)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020246692	1	45	-1.0	-44.66	381.80	5.13	-39.53
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020246693	0	53	0.0	-63.69	377.97	5.34	-58.35
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020246693	1	53	0.0	-62.27	377.90	5.39	-56.88
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020246693	1	53	0.0	-63.74	378.03	5.35	-58.39
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020246693	1	53	0.0	-62.30	377.96	5.40	-56.90
COC1=CC(F)=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020246694	0	46	-1.0	-45.59	374.31	3.67	-41.92
COC1=CC(F)=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020246694	1	46	-1.0	-45.59	374.36	3.68	-41.91
C[C@@H](O)C1=NNC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020246695	0	41	-1.0	-44.82	338.81	-1.45	-46.27
C[C@@H](O)C1=NNC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020246695	1	41	-1.0	-44.81	338.87	-1.44	-46.25
CC1=CC=C(C(F)CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020246696	0	47	-1.0	-43.70	374.60	6.47	-37.23
CC1=CC=C(C(F)CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020246696	1	47	-1.0	-43.68	374.66	6.49	-37.19
CN1C=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020246697	0	45	-1.0	-44.98	364.25	6.22	-38.76
CN1C=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020246697	1	45	-1.0	-44.98	364.30	6.24	-38.74
O=C(NC1CC2(C1)CC1CCC2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246698	0	49	-1.0	-42.08	362.74	6.22	-35.86
O=C(NC1CC2(C1)CC1CCC2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246698	1	49	-1.0	-42.07	362.80	6.24	-35.83
CS(=O)(=O)C1=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=C1	REAL300020246699	0	41	-1.0	-49.07	351.60	1.80	-47.27
CS(=O)(=O)C1=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=C1	REAL300020246699	1	41	-1.0	-49.09	351.66	1.81	-47.28
CC1=C2C(=CC=C1)C(CCNC(=O)N1CCC(C3=N[N-]N=N3)CC1)=CN2C	REAL300020246700	0	51	-1.0	-48.54	400.03	7.40	-41.14
CC1=C2C(=CC=C1)C(CCNC(=O)N1CCC(C3=NN=N[N-]3)CC1)=CN2C	REAL300020246700	1	51	-1.0	-48.58	400.09	7.42	-41.16
CN1C(C)(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCS1(=O)=O	REAL300020246701	0	46	-1.0	-52.37	361.78	0.69	-51.68
CN1C(C)(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCS1(=O)=O	REAL300020246701	1	46	-1.0	-52.45	361.84	0.71	-51.74
COC(=O)CC1CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCO1	REAL300020246702	0	48	-1.0	-46.62	374.87	4.20	-42.42
COC(=O)CC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCO1	REAL300020246702	1	48	-1.0	-46.61	374.93	4.22	-42.39
O=C(NC(C1=CC=C(F)C=C1)C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246703	0	45	-1.0	-41.91	358.48	6.71	-35.20
O=C(NC(C1=CC=C(F)C=C1)C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246703	1	45	-1.0	-41.89	358.54	6.73	-35.16
COC1(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300020246704	0	56	-1.0	-46.35	434.11	2.51	-43.84
COC1(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300020246704	1	56	-1.0	-46.35	434.16	2.53	-43.82
O=C(NCC1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246705	0	45	-1.0	-46.64	368.79	5.66	-40.98
O=C(NCC1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246705	1	45	-1.0	-46.67	368.73	5.65	-41.02
CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020246706	0	58	-1.0	-45.64	439.92	5.20	-40.44
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020246706	1	58	-1.0	-45.63	439.98	5.22	-40.41
CC1=NC(Cl)=CC=C1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246707	0	40	-1.0	-42.41	339.00	3.85	-38.56
CC1=NC(Cl)=CC=C1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246707	1	40	-1.0	-42.42	339.06	3.87	-38.55
O=C(NCC1=CC(C2=CC=CC=C2)=NN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246708	0	45	-1.0	-44.41	369.32	4.35	-40.06
O=C(NCC1=CC(C2=CC=CC=C2)=NN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246708	1	45	-1.0	-44.43	369.38	4.37	-40.06
O=C(NC(CF)C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246709	0	41	-1.0	-45.79	347.51	5.86	-39.93
O=C(NC(CF)C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246709	1	41	-1.0	-45.78	347.57	5.87	-39.91
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CC1(C)CC(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)CO1	REAL300020246890	0	48	-1.0	-44.43	368.54	3.75	-40.68
CC1(C)CC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CO1	REAL300020246890	1	48	-1.0	-44.38	368.60	3.76	-40.62
CC(C)CN1C=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020246891	0	47	-1.0	-46.54	371.16	4.55	-41.99
CC(C)CN1C=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020246891	1	47	-1.0	-46.55	371.21	4.57	-41.98
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CCC1CCCC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020246892	1	53	-1.0	-41.53	381.61	6.62	-34.91
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CC(C)(C)OC1CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1(C)C	REAL300020246894	1	54	-1.0	-42.81	399.75	5.85	-36.96
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246895	0	55	-1.0	-50.68	418.90	4.70	-45.98
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246895	1	55	-1.0	-50.68	418.96	4.72	-45.96
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CC(C)(C)OC(=O)NC1CC(C)(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020246898	0	58	-1.0	-46.51	440.29	3.87	-42.64
CC(C)(C)OC(=O)NC1CC(C)(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020246898	1	58	-1.0	-46.56	440.34	3.88	-42.68
CCCCS(=O)(=O)N1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020246899	0	55	-1.0	-49.83	431.62	3.02	-46.81
CCCCS(=O)(=O)N1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020246899	1	55	-1.0	-49.83	431.68	3.03	-46.80
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020246900	0	55	-1.0	-45.47	428.24	3.47	-42.00
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020246900	1	55	-1.0	-45.46	428.29	3.49	-41.97
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020246901	0	55	-1.0	-47.67	429.70	3.39	-44.28
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020246901	1	55	-1.0	-47.64	429.76	3.40	-44.24
C[C@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1F	REAL300020246902	0	41	-1.0	-44.57	331.75	5.39	-39.18
C[C@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1F	REAL300020246902	1	41	-1.0	-44.62	331.80	5.40	-39.22
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N#CC1=CC=C([C@H]2C[C@H](NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)C=C1	REAL300020246905	0	46	-1.0	-46.44	374.46	6.86	-39.58
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CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246906	0	58	-1.0	-46.76	438.30	5.61	-41.15
CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020246906	1	58	-1.0	-46.77	438.36	5.63	-41.14
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CC1(C)CC2=CC=CC(CNC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2O1	REAL300020246909	0	49	-1.0	-44.55	387.13	5.66	-38.89
CC1(C)CC2=CC=CC(CNC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2O1	REAL300020246909	1	49	-1.0	-44.55	387.19	5.67	-38.88
CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N1	REAL300020246910	0	48	-1.0	-49.18	364.88	2.08	-47.10
CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N1	REAL300020246910	1	48	-1.0	-49.18	364.93	2.10	-47.08
CC1=CC=CC=C1CCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020246911	0	47	-1.0	-43.14	368.24	6.47	-36.67
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CC(C)CC1=CC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020246912	0	46	-1.0	-44.91	368.26	4.69	-40.22
CC(C)CC1=CC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020246912	1	46	-1.0	-44.94	368.32	4.70	-40.24
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CC[C@H](CC1=CC=CC=C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020247003	1	47	-1.0	-43.41	363.91	6.55	-36.86
C[C@H](CC1=CC=C2OCCOC2=C1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020247004	0	50	-1.0	-48.35	394.14	5.38	-42.97
C[C@H](CC1=CC=C2OCCOC2=C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020247004	1	50	-1.0	-48.38	394.20	5.39	-42.99
COC1=CC=C([C@H](C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020247005	0	47	-1.0	-49.37	382.91	6.02	-43.35
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CC1=C(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C(C2=CC=C(F)C=C2)O1	REAL300020247006	0	47	-1.0	-45.68	393.58	3.71	-41.97
CC1=C(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C(C2=CC=C(F)C=C2)O1	REAL300020247006	1	47	-1.0	-45.69	393.64	3.73	-41.96
C[C@@H](NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1F	REAL300020247007	0	41	-1.0	-44.41	331.70	5.37	-39.04
C[C@@H](NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1F	REAL300020247007	1	41	-1.0	-44.48	331.76	5.38	-39.10
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CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC2(CCC2)C1	REAL300020247009	0	48	-1.0	-42.59	366.51	6.11	-36.48
CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC2(CCC2)C1	REAL300020247009	1	48	-1.0	-42.60	366.56	6.13	-36.47
C[C@H](CC1=CC=C2CCCC2=C1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020247010	0	51	-1.0	-43.96	395.04	8.12	-35.84
C[C@H](CC1=CC=C2CCCC2=C1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020247010	1	51	-1.0	-43.99	395.10	8.14	-35.85
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CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020247011	1	51	-1.0	-42.02	360.35	6.57	-35.45
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COC(=O)C1=NOC(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020247012	1	43	-1.0	-49.47	363.55	3.38	-46.09
O=C(NCC1=NC(C(O)C2CC2)=NN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020247013	0	45	-1.0	-45.19	366.78	0.37	-44.82
O=C(NCC1=NC(C(O)C2CC2)=NN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020247013	1	45	-1.0	-45.20	366.84	0.38	-44.82
COC1=CC2=CC=C(C[C@@H](C)NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300020247014	0	54	-1.0	-47.24	424.95	7.78	-39.46
COC1=CC2=CC=C(C[C@@H](C)NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300020247014	1	54	-1.0	-47.27	425.01	7.79	-39.48
O=C(NC1CCC2(CC2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020247015	0	45	-1.0	-43.09	343.71	5.43	-37.66
O=C(NC1CCC2(CC2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020247015	1	45	-1.0	-43.04	343.77	5.45	-37.59
CCOC1=CC=C(C[C@@H](C)NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020247016	0	55	-1.0	-48.02	430.11	6.34	-41.68
CCOC1=CC=C(C[C@@H](C)NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020247016	1	55	-1.0	-48.03	430.17	6.36	-41.67
O=C(NC1CCC(=C(F)F)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020247017	0	42	-1.0	-43.11	334.82	4.74	-38.37
O=C(NC1CCC(=C(F)F)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020247017	1	42	-1.0	-43.13	334.88	4.75	-38.38
CCC(COC(F)(F)F)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020247018	0	41	-1.0	-41.22	335.35	2.36	-38.86
CCC(COC(F)(F)F)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020247018	1	41	-1.0	-41.21	335.41	2.38	-38.83
O=C(NC1CC2(C1)CNC(=O)O2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020247019	0	41	-1.0	-54.50	330.14	-0.23	-54.73
O=C(NC1CC2(C1)CNC(=O)O2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020247019	1	41	-1.0	-54.46	330.20	-0.21	-54.67
COC1=CC=CC=C1[C@H]1C[C@H](NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020247020	0	49	-1.0	-45.08	381.73	5.82	-39.26
COC1=CC=CC=C1[C@H]1C[C@H](NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020247020	1	49	-1.0	-45.11	381.79	5.84	-39.27
C[N@@H+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)(C)C1	REAL300020247021	0	50	0.0	-63.92	359.45	5.65	-58.27
C[N@H+]1CCC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)(C)C1	REAL300020247021	1	50	0.0	-64.05	359.42	5.66	-58.39
C[N@@H+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)(C)C1	REAL300020247021	1	50	0.0	-63.93	359.51	5.67	-58.26
C[N@H+]1CCC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)(C)C1	REAL300020247021	1	50	0.0	-64.00	359.48	5.67	-58.33
C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020247022	0	47	0.0	-65.98	351.80	4.99	-60.99
C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020247022	1	47	0.0	-66.03	351.86	5.00	-61.03
CC1=CC=C(CCNC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1O	REAL300020247023	0	45	-1.0	-45.49	362.51	3.11	-42.38
CC1=CC=C(CCNC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1O	REAL300020247023	1	45	-1.0	-45.53	362.56	3.12	-42.41
COC12CCCC(CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C1)C2	REAL300020247024	0	52	-1.0	-43.96	369.40	4.13	-39.83
COC12CCCC(CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C1)C2	REAL300020247024	1	52	-1.0	-43.95	369.46	4.15	-39.80
COC1=CC([C@@H]2C[C@H]2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(OC)C=C1C	REAL300020247025	0	53	-1.0	-46.41	415.45	5.25	-41.16
COC1=CC([C@@H]2C[C@H]2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(OC)C=C1C	REAL300020247025	1	53	-1.0	-46.39	415.50	5.26	-41.13
O=C(NC1COC2(C1)CCCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020247026	0	49	-1.0	-42.38	363.99	4.29	-38.09
O=C(NC1COC2(C1)CCCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020247026	1	49	-1.0	-42.42	364.05	4.31	-38.11
CC(CCC(=O)OC(C)(C)C)NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020247027	0	52	-1.0	-44.77	401.64	6.03	-38.74
CC(CCC(=O)OC(C)(C)C)NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020247027	1	52	-1.0	-44.79	401.70	6.04	-38.75
CCC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCCCC1	REAL300020247028	0	53	-1.0	-42.10	373.24	6.34	-35.76
CCC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCCCC1	REAL300020247028	1	53	-1.0	-42.14	373.30	6.35	-35.79
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247029	0	47	-1.0	-53.69	380.01	5.51	-48.18
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247029	1	47	-1.0	-53.67	379.96	5.49	-48.18
CCCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247030	0	46	-1.0	-47.73	358.39	4.98	-42.75
CCCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247030	1	46	-1.0	-47.73	358.46	5.00	-42.73
O=C(NC1=CC2=CC=CN=C2C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247031	0	42	-1.0	-48.59	338.82	2.94	-45.65
O=C(NC1=CC2=CC=CN=C2C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247031	1	42	-1.0	-48.59	338.76	2.94	-45.65
O=C(NC1=CC=C(F)C=C1Br)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247032	0	37	-1.0	-45.00	323.56	3.30	-41.70
O=C(NC1=CC=C(F)C=C1Br)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247032	1	37	-1.0	-44.99	323.62	3.30	-41.69
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247033	0	47	-1.0	-46.75	368.11	3.55	-43.20
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247033	1	47	-1.0	-46.76	368.18	3.57	-43.19
CC1=NC=CC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020247034	0	48	-1.0	-53.63	386.20	4.21	-49.42
CC1=NC=CC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020247034	1	48	-1.0	-53.58	386.14	4.21	-49.37
O=C(NC1=CC=CC(OC(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247035	0	41	-1.0	-48.56	336.73	2.13	-46.43
O=C(NC1=CC=CC(OC(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247035	1	41	-1.0	-48.58	336.79	2.15	-46.43
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247036	0	37	-1.0	-43.83	320.08	3.12	-40.71
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247036	1	37	-1.0	-43.81	320.13	3.13	-40.68
O=C(NC1=CC=C(CN2C=NC=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247037	0	46	-1.0	-53.31	376.06	5.65	-47.66
O=C(NC1=CC=C(CN2C=NC=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247037	1	46	-1.0	-53.33	376.01	5.64	-47.69
O=C(NC1=CC=CC(N2C=CC=N2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247038	0	44	-1.0	-53.97	355.89	3.77	-50.20
O=C(NC1=CC=CC(N2C=CC=N2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247038	1	44	-1.0	-54.01	355.83	3.75	-50.26
O=C(NC1=CC=C2NC(=O)CCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247039	0	45	-1.0	-48.62	357.34	1.73	-46.89
O=C(NC1=CC=C2NC(=O)CCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247039	1	45	-1.0	-48.64	357.39	1.76	-46.88
CN(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247040	0	45	-1.0	-48.45	350.89	2.45	-46.00
CN(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247040	1	45	-1.0	-48.45	350.97	2.44	-46.01
CC(C)C(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247041	0	50	-1.0	-56.80	393.70	3.04	-53.76
CC(C)C(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247041	1	50	-1.0	-56.79	393.78	3.05	-53.74
O=C(NC1=CC=CC(C2=NN=CO2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247042	0	42	-1.0	-53.65	348.72	-1.46	-55.11
O=C(NC1=CC=CC(C2=NN=CO2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247042	1	42	-1.0	-53.66	348.78	-1.46	-55.12
O=C(NC1=CC=CC=C1N1C=NC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247043	0	43	-1.0	-57.79	346.65	5.64	-52.15
O=C(NC1=CC=CC=C1N1C=NC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247043	1	43	-1.0	-57.75	346.57	5.64	-52.11
O=C(NC1=CC=CC(NC(=O)C2CC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247044	0	48	-1.0	-56.87	384.83	3.14	-53.73
O=C(NC1=CC=CC(NC(=O)C2CC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247044	1	48	-1.0	-56.87	384.89	3.17	-53.70
O=C(NC1=CC=CC=C1N1C=CC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247045	0	44	-1.0	-57.42	350.96	4.36	-53.06
O=C(NC1=CC=CC=C1N1C=CC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247045	1	44	-1.0	-57.40	350.89	4.34	-53.06
C[NH+](C)CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247046	0	53	0.0	-71.21	406.21	4.25	-66.96
C[NH+](C)CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247046	1	53	0.0	-71.15	406.28	4.25	-66.90
CC(=O)NC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020247047	0	47	-1.0	-57.07	371.10	2.32	-54.75
CC(=O)NC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020247047	1	47	-1.0	-57.06	371.16	2.33	-54.73
COCC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247048	0	48	-1.0	-56.17	387.09	1.64	-54.53
COCC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247048	1	48	-1.0	-56.17	387.16	1.66	-54.51
NC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020247049	0	41	-1.0	-47.32	344.55	-0.13	-47.45
NC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020247049	1	41	-1.0	-47.34	344.61	-0.12	-47.46
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247050	0	41	-1.0	-51.05	344.44	-0.13	-51.18
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247050	1	41	-1.0	-51.08	344.50	-0.12	-51.20
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC=C1C(N)=O	REAL300020247051	0	44	-1.0	-53.75	345.58	0.14	-53.61
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC=C1C(N)=O	REAL300020247051	1	44	-1.0	-53.78	345.65	0.17	-53.61
NC(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247052	0	44	-1.0	-52.67	354.42	0.20	-52.47
NC(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247052	1	44	-1.0	-52.66	354.49	0.22	-52.44
NC(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247053	0	44	-1.0	-55.14	356.65	0.03	-55.11
NC(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247053	1	44	-1.0	-55.17	356.71	0.04	-55.13
CCCNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247054	0	50	-1.0	-55.22	396.95	2.45	-52.77
CCCNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247054	1	50	-1.0	-55.23	397.01	2.46	-52.77
O=C(NC1=CC=C2OCOC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247055	0	40	-1.0	-48.00	324.48	1.20	-46.80
O=C(NC1=CC=C2OCOC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247055	1	40	-1.0	-47.92	324.55	1.21	-46.71
O=C(NC1=CC=C(SC(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247056	0	41	-1.0	-47.01	347.29	3.80	-43.21
O=C(NC1=CC=C(SC(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247056	1	41	-1.0	-47.02	347.35	3.82	-43.20
CC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247057	0	44	-1.0	-53.45	354.06	1.56	-51.89
CC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247057	1	44	-1.0	-53.53	354.12	1.58	-51.95
O=C(NC1=CC=C2OCCOC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247058	0	43	-1.0	-48.93	342.01	1.70	-47.23
O=C(NC1=CC=C2OCCOC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247058	1	43	-1.0	-48.90	342.07	1.72	-47.18
CC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247059	0	43	-1.0	-47.53	336.88	4.09	-43.44
CC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247059	1	43	-1.0	-47.53	336.96	4.08	-43.45
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247060	0	43	-1.0	-51.34	355.08	2.58	-48.76
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247060	1	43	-1.0	-51.36	355.16	2.59	-48.77
CC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247061	0	42	-1.0	-49.18	337.87	2.95	-46.23
CC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247061	1	42	-1.0	-49.11	337.93	2.97	-46.14
O=C(NC1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247062	0	37	-1.0	-47.21	298.39	2.53	-44.68
O=C(NC1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247062	1	37	-1.0	-47.21	298.46	2.55	-44.66
O=C(NC1=CC=CC=C1Br)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247063	0	37	-1.0	-48.33	317.27	3.31	-45.02
O=C(NC1=CC=CC=C1Br)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247063	1	37	-1.0	-48.35	317.34	3.31	-45.04
O=C(NC1=CC=C(Br)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247064	0	37	-1.0	-44.49	319.14	3.24	-41.25
O=C(NC1=CC=C(Br)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247064	1	37	-1.0	-44.49	319.19	3.26	-41.23
O=C(NC1=CC=CC(Br)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247065	0	37	-1.0	-45.40	319.11	3.24	-42.16
O=C(NC1=CC=CC(Br)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247065	1	37	-1.0	-45.38	319.16	3.26	-42.12
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247066	0	40	-1.0	-46.80	318.89	3.22	-43.58
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247066	1	40	-1.0	-46.79	318.95	3.24	-43.55
CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247067	0	40	-1.0	-47.29	316.94	3.43	-43.86
CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247067	1	40	-1.0	-47.31	317.01	3.45	-43.86
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247068	0	41	-1.0	-48.71	326.98	1.85	-46.86
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247068	1	41	-1.0	-48.72	327.04	1.86	-46.86
COC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247069	0	41	-1.0	-50.59	326.96	1.95	-48.64
COC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247069	1	41	-1.0	-50.61	327.03	1.96	-48.65
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020247070	0	43	-1.0	-47.48	333.87	3.96	-43.52
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020247070	1	43	-1.0	-47.46	333.94	3.96	-43.50
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020247071	0	43	-1.0	-47.24	336.95	4.09	-43.15
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020247071	1	43	-1.0	-47.21	337.02	4.09	-43.12
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020247072	0	43	-1.0	-47.13	335.88	3.76	-43.37
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020247072	1	43	-1.0	-47.08	335.93	3.78	-43.30
O=C(NC1=CC=C(F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247073	0	37	-1.0	-44.78	304.26	2.68	-42.10
O=C(NC1=CC=C(F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247073	1	37	-1.0	-44.79	304.32	2.70	-42.09
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247074	0	44	-1.0	-46.54	348.84	2.77	-43.77
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247074	1	44	-1.0	-46.55	348.90	2.79	-43.76
O=C(NC1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247075	0	39	-1.0	-47.58	324.90	3.29	-44.29
O=C(NC1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247075	1	39	-1.0	-47.58	324.97	3.31	-44.27
O=C(NC1=CC=CC=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247076	0	37	-1.0	-48.50	313.13	3.16	-45.34
O=C(NC1=CC=CC=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247076	1	37	-1.0	-48.48	313.20	3.19	-45.29
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020247077	0	42	-1.0	-48.12	341.83	3.82	-44.30
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020247077	1	42	-1.0	-48.06	341.90	3.84	-44.22
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247078	0	42	-1.0	-48.38	343.60	4.08	-44.30
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247078	1	42	-1.0	-48.41	343.66	4.10	-44.31
O=C(NC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247079	0	37	-1.0	-44.20	329.39	3.53	-40.67
O=C(NC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247079	1	37	-1.0	-44.22	329.45	3.54	-40.68
CC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020247080	0	46	-1.0	-47.79	356.18	4.79	-43.00
CC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020247080	1	46	-1.0	-47.77	356.25	4.79	-42.98
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247081	0	45	-1.0	-48.01	349.36	3.02	-44.99
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247081	1	45	-1.0	-48.07	349.42	3.03	-45.04
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247082	0	40	-1.0	-46.86	319.25	3.29	-43.57
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247082	1	40	-1.0	-46.91	319.30	3.31	-43.60
O=C(NC1=CC(Cl)=CC=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247083	0	37	-1.0	-46.40	329.79	3.65	-42.75
O=C(NC1=CC(Cl)=CC=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247083	1	37	-1.0	-46.44	329.86	3.65	-42.79
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247084	0	41	-1.0	-46.83	326.99	1.84	-44.99
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247084	1	41	-1.0	-46.80	327.04	1.85	-44.95
O=C(NC1=CC=CC(Cl)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247085	0	37	-1.0	-45.43	314.55	3.15	-42.28
O=C(NC1=CC=CC(Cl)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247085	1	37	-1.0	-45.47	314.60	3.15	-42.32
O=C(NC1=CC=CC(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247086	0	37	-1.0	-45.80	304.23	2.68	-43.12
O=C(NC1=CC=CC(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247086	1	37	-1.0	-45.79	304.28	2.70	-43.09
CCC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247087	0	46	-1.0	-47.79	353.82	4.63	-43.16
CCC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247087	1	46	-1.0	-47.84	353.89	4.66	-43.18
CSC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247088	0	41	-1.0	-48.44	337.70	3.57	-44.87
CSC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247088	1	41	-1.0	-48.45	337.75	3.59	-44.86
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247089	0	40	-1.0	-46.06	332.93	3.65	-42.41
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247089	1	40	-1.0	-46.07	332.99	3.67	-42.40
O=C(NC1=CC=CC2=CC=CC=C21)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247090	0	43	-1.0	-49.48	341.65	4.92	-44.56
O=C(NC1=CC=CC2=CC=CC=C21)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247090	1	43	-1.0	-49.50	341.72	4.93	-44.57
O=C(NC1=CC2=CC=CC=C2C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247091	0	43	-1.0	-47.99	343.86	4.89	-43.10
O=C(NC1=CC2=CC=CC=C2C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247091	1	43	-1.0	-48.00	343.92	4.91	-43.09
O=C(NC1=CC=C(Cl)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247092	0	37	-1.0	-44.56	314.58	3.14	-41.42
O=C(NC1=CC=C(Cl)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247092	1	37	-1.0	-44.58	314.63	3.15	-41.43
O=C(NC1=CC=CC=C1C(F)(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247093	0	40	-1.0	-50.56	333.06	3.82	-46.74
O=C(NC1=CC=CC=C1C(F)(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247093	1	40	-1.0	-50.58	333.13	3.83	-46.75
O=C(NC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247094	0	40	-1.0	-45.73	336.19	3.55	-42.18
O=C(NC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247094	1	40	-1.0	-45.76	336.25	3.57	-42.19
O=C(NC1=CC=CC2=CN=CC=C21)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247095	0	42	-1.0	-50.02	336.85	3.15	-46.87
O=C(NC1=CC=CC2=CN=CC=C21)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247095	1	42	-1.0	-49.97	336.78	3.14	-46.83
COC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247096	0	41	-1.0	-49.12	343.62	2.42	-46.70
COC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247096	1	41	-1.0	-49.14	343.69	2.43	-46.71
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247097	0	43	-1.0	-46.93	352.50	3.29	-43.64
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247097	1	43	-1.0	-46.93	352.56	3.29	-43.64
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(OC)=C1OC	REAL300020247098	0	49	-1.0	-48.13	390.73	1.70	-46.43
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(OC)=C1OC	REAL300020247098	1	49	-1.0	-48.10	390.81	1.70	-46.40
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247099	0	55	-1.0	-48.35	412.15	6.60	-41.75
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247099	1	55	-1.0	-48.41	412.21	6.62	-41.79
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247100	0	49	-1.0	-46.44	374.00	4.94	-41.50
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247100	1	49	-1.0	-46.44	374.05	4.95	-41.49
CC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247101	0	44	-1.0	-50.75	354.44	1.50	-49.25
CC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247101	1	44	-1.0	-50.77	354.50	1.51	-49.26
CC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247102	0	40	-1.0	-44.62	333.67	3.94	-40.68
CC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247102	1	40	-1.0	-44.67	333.73	3.95	-40.72
O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247103	0	48	-1.0	-46.71	386.79	5.41	-41.30
O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247103	1	48	-1.0	-46.74	386.86	5.42	-41.32
O=C(NC1=CC=CC=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247104	0	37	-1.0	-49.60	304.07	2.64	-46.96
O=C(NC1=CC=CC=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247104	1	37	-1.0	-49.62	304.14	2.67	-46.95
CC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247105	0	40	-1.0	-45.67	329.48	3.85	-41.82
CC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247105	1	40	-1.0	-45.72	329.55	3.84	-41.88
O=C(NC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247106	0	37	-1.0	-45.13	329.73	3.61	-41.52
O=C(NC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247106	1	37	-1.0	-45.16	329.80	3.61	-41.55
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247107	0	47	-1.0	-47.38	371.65	5.97	-41.41
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247107	1	47	-1.0	-47.35	371.71	5.99	-41.36
O=C(NC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247108	0	37	-1.0	-43.89	332.35	3.60	-40.29
O=C(NC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247108	1	37	-1.0	-43.87	332.44	3.59	-40.28
O=C(NC1=C(F)C(F)=C(F)C(F)=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247109	0	37	-1.0	-43.39	328.72	2.94	-40.45
O=C(NC1=C(F)C(F)=C(F)C(F)=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247109	1	37	-1.0	-43.40	328.78	2.94	-40.46
CCOC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247110	0	46	-1.0	-46.68	374.37	4.21	-42.47
CCOC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247110	1	46	-1.0	-46.69	374.42	4.22	-42.47
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020247111	0	40	-1.0	-48.12	334.53	3.84	-44.28
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020247111	1	40	-1.0	-48.10	334.60	3.86	-44.24
CCCCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247112	0	49	-1.0	-46.38	383.37	5.55	-40.83
CCCCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247112	1	49	-1.0	-46.37	383.42	5.57	-40.80
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247113	0	46	-1.0	-46.53	358.03	4.53	-42.00
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247113	1	46	-1.0	-46.47	358.09	4.55	-41.92
O=C(NC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247114	0	41	-1.0	-44.22	343.48	2.34	-41.88
O=C(NC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247114	1	41	-1.0	-44.23	343.54	2.36	-41.87
O=C(NC1=CC2=C(C=C1)OC1=C2C=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247115	0	46	-1.0	-49.89	372.66	5.24	-44.65
O=C(NC1=CC2=C(C=C1)OC1=C2C=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247115	1	46	-1.0	-49.85	372.73	5.26	-44.59
O=C(NC1=CC=C(N2CCCCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247116	0	52	-1.0	-46.58	390.90	3.88	-42.70
O=C(NC1=CC=C(N2CCCCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247116	1	52	-1.0	-46.57	390.97	3.89	-42.68
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247117	0	38	-1.0	-46.03	318.62	3.03	-43.00
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247117	1	38	-1.0	-46.01	318.67	3.04	-42.97
CC(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247118	0	46	-1.0	-47.76	355.07	4.68	-43.08
CC(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247118	1	46	-1.0	-47.78	355.15	4.69	-43.09
O=C(NC1=CC=C(F)C(F)=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247119	0	37	-1.0	-46.20	315.86	2.80	-43.40
O=C(NC1=CC=C(F)C(F)=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247119	1	37	-1.0	-46.23	315.92	2.80	-43.43
O=C(NC1=CC=C(F)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247120	0	37	-1.0	-45.97	310.35	2.65	-43.32
O=C(NC1=CC=C(F)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247120	1	37	-1.0	-45.95	310.43	2.65	-43.30
O=C(NC1=CC(F)=CC=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247121	0	37	-1.0	-47.62	310.41	2.70	-44.92
O=C(NC1=CC(F)=CC=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247121	1	37	-1.0	-47.56	310.48	2.69	-44.87
CC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247122	0	42	-1.0	-55.05	340.58	3.13	-51.92
CC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247122	1	42	-1.0	-55.09	340.64	3.12	-51.97
O=C(NC1=CC=C(Br)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247123	0	37	-1.0	-45.86	325.23	3.20	-42.66
O=C(NC1=CC=C(Br)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247123	1	37	-1.0	-45.91	325.31	3.21	-42.70
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Br	REAL300020247124	0	40	-1.0	-44.45	336.95	3.74	-40.71
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Br	REAL300020247124	1	40	-1.0	-44.47	337.01	3.76	-40.71
O=C(NC1=CC=C(F)C=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247125	0	37	-1.0	-45.14	319.41	3.17	-41.97
O=C(NC1=CC=C(F)C=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247125	1	37	-1.0	-45.12	319.48	3.17	-41.95
O=C(NC1=CC=CC(Cl)=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247126	0	37	-1.0	-47.71	328.11	3.54	-44.17
O=C(NC1=CC=CC(Cl)=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247126	1	37	-1.0	-47.75	328.18	3.55	-44.20
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247127	0	37	-1.0	-51.74	307.56	2.84	-48.90
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247127	1	37	-1.0	-51.75	307.63	2.85	-48.90
O=C(NC1=CC=C(F)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247128	0	37	-1.0	-44.15	310.20	2.67	-41.48
O=C(NC1=CC=C(F)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247128	1	37	-1.0	-44.14	310.25	2.69	-41.45
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1OC	REAL300020247129	0	45	-1.0	-47.88	356.22	1.76	-46.12
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1OC	REAL300020247129	1	45	-1.0	-47.95	356.28	1.76	-46.19
O=C(NC1=CC=C(F)C(Cl)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247130	0	37	-1.0	-43.80	320.08	3.12	-40.68
O=C(NC1=CC=C(F)C(Cl)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247130	1	37	-1.0	-43.82	320.13	3.13	-40.69
COC1=CC(OC)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247131	0	45	-1.0	-49.93	357.87	1.17	-48.76
COC1=CC(OC)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247131	1	45	-1.0	-49.87	357.95	1.17	-48.70
CC1=CC(C)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247132	0	43	-1.0	-47.69	341.58	3.91	-43.78
CC1=CC(C)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247132	1	43	-1.0	-47.68	341.66	3.90	-43.78
O=C(NC1=CC=C(Cl)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247133	0	37	-1.0	-46.00	320.67	3.09	-42.91
O=C(NC1=CC=C(Cl)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247133	1	37	-1.0	-45.97	320.74	3.10	-42.87
CC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247134	0	40	-1.0	-46.17	321.83	3.49	-42.68
CC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247134	1	40	-1.0	-46.22	321.89	3.51	-42.71
O=C(NC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247135	0	40	-1.0	-44.42	336.55	3.63	-40.79
O=C(NC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247135	1	40	-1.0	-44.43	336.61	3.63	-40.80
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247136	0	43	-1.0	-46.60	340.73	4.06	-42.54
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247136	1	43	-1.0	-46.61	340.79	4.07	-42.54
COC1=CC=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247137	0	44	-1.0	-50.79	348.30	2.59	-48.20
COC1=CC=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247137	1	44	-1.0	-50.80	348.37	2.59	-48.21
COC1=CC=C(OC)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247138	0	45	-1.0	-52.05	356.36	1.20	-50.85
COC1=CC=C(OC)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247138	1	45	-1.0	-52.05	356.44	1.20	-50.85
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020247139	0	40	-1.0	-46.53	324.19	3.26	-43.27
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020247139	1	40	-1.0	-46.53	324.25	3.27	-43.26
CC(C)(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247140	0	49	-1.0	-47.74	363.90	5.45	-42.29
CC(C)(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247140	1	49	-1.0	-47.71	363.97	5.47	-42.24
O=C(NC1=CC=CC2=C1CCCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247141	0	47	-1.0	-47.76	356.90	5.25	-42.51
O=C(NC1=CC=CC2=C1CCCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247141	1	47	-1.0	-47.79	356.97	5.26	-42.53
CSC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247142	0	41	-1.0	-50.89	336.42	3.68	-47.21
CSC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247142	1	41	-1.0	-50.92	336.50	3.69	-47.23
O=C(NC1=CC=CC=C1N1CCCCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247143	0	52	-1.0	-49.20	394.51	4.32	-44.88
O=C(NC1=CC=CC=C1N1CCCCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247143	1	52	-1.0	-49.19	394.59	4.33	-44.86
O=C(NC1=CC=CC(OC(F)(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247144	0	41	-1.0	-45.37	343.47	2.34	-43.03
O=C(NC1=CC=CC(OC(F)(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247144	1	41	-1.0	-45.36	343.53	2.36	-43.00
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CC=CN=C12	REAL300020247145	0	45	-1.0	-48.13	356.87	3.87	-44.26
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CC=CN=C12	REAL300020247145	1	45	-1.0	-48.16	356.80	3.86	-44.30
CC(C)CC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247146	0	53	-1.0	-52.49	412.59	3.72	-48.77
CC(C)CC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247146	1	53	-1.0	-52.49	412.66	3.75	-48.74
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1NC(C)=O	REAL300020247147	0	48	-1.0	-56.37	381.94	0.99	-55.38
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1NC(C)=O	REAL300020247147	1	48	-1.0	-56.39	382.01	1.00	-55.39
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020247148	0	43	-1.0	-47.24	365.14	3.67	-43.57
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020247148	1	43	-1.0	-47.25	365.20	3.68	-43.57
O=C(NC1=CC=C(N2C=NC=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247149	0	43	-1.0	-50.54	351.74	5.07	-45.47
O=C(NC1=CC=C(N2C=NC=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247149	1	43	-1.0	-50.57	351.66	5.06	-45.51
CC1=NC=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)O1	REAL300020247150	0	46	-1.0	-48.97	374.93	1.70	-47.27
CC1=NC=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)O1	REAL300020247150	1	46	-1.0	-48.95	375.00	1.71	-47.24
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Br	REAL300020247151	0	40	-1.0	-46.14	336.96	3.74	-42.40
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Br	REAL300020247151	1	40	-1.0	-46.10	337.02	3.76	-42.34
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020247152	0	40	-1.0	-49.16	325.47	3.33	-45.83
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020247152	1	40	-1.0	-49.17	325.54	3.34	-45.83
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(Br)=C1	REAL300020247153	0	40	-1.0	-47.91	338.68	3.96	-43.95
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(Br)=C1	REAL300020247153	1	40	-1.0	-47.95	338.75	3.99	-43.96
O=C(NC1=CC=CC=C1C1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247154	0	47	-1.0	-49.32	375.19	6.55	-42.77
O=C(NC1=CC=CC=C1C1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247154	1	47	-1.0	-49.33	375.24	6.55	-42.78
N#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247155	0	38	-1.0	-48.33	318.66	3.02	-45.31
N#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247155	1	38	-1.0	-48.34	318.72	3.03	-45.31
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(OC)=C1	REAL300020247156	0	45	-1.0	-49.83	356.32	1.16	-48.67
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(OC)=C1	REAL300020247156	1	45	-1.0	-49.80	356.39	1.17	-48.63
O=C(NC1=CC=C(Cl)C([N+](=O)[O-])=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247157	0	39	-1.0	-47.41	338.13	3.60	-43.81
O=C(NC1=CC=C(Cl)C([N+](=O)[O-])=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247157	1	39	-1.0	-47.40	338.18	3.61	-43.79
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247158	0	41	-1.0	-47.07	343.01	2.40	-44.67
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247158	1	41	-1.0	-47.03	343.06	2.42	-44.61
CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247159	0	44	-1.0	-50.50	347.68	2.94	-47.56
CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247159	1	44	-1.0	-50.55	347.75	2.93	-47.62
CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247160	0	43	-1.0	-46.68	340.37	3.99	-42.69
CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247160	1	43	-1.0	-46.67	340.43	4.01	-42.66
O=C(NC1=CC=CC=C1CC1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247161	0	50	-1.0	-51.27	392.62	7.39	-43.88
O=C(NC1=CC=CC=C1CC1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247161	1	50	-1.0	-51.26	392.70	7.39	-43.87
CCC1=CC=CC(CC)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247162	0	49	-1.0	-47.46	372.35	5.28	-42.18
CCC1=CC=CC(CC)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247162	1	49	-1.0	-47.47	372.41	5.30	-42.17
O=C(NC1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247163	0	39	-1.0	-44.52	341.20	3.77	-40.75
O=C(NC1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247163	1	39	-1.0	-44.50	341.27	3.77	-40.73
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300020247164	0	42	-1.0	-47.24	339.19	3.86	-43.38
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300020247164	1	42	-1.0	-47.29	339.25	3.89	-43.40
O=C(NC1=CC=CC=C1OC1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247165	0	48	-1.0	-50.64	387.54	5.41	-45.23
O=C(NC1=CC=CC=C1OC1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247165	1	48	-1.0	-50.68	387.60	5.43	-45.25
COC1=CC(Cl)=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247166	0	44	-1.0	-47.58	362.32	3.02	-44.56
COC1=CC(Cl)=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247166	1	44	-1.0	-47.62	362.39	3.02	-44.60
COC1=CC=C(C(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247167	0	53	-1.0	-50.54	403.04	4.25	-46.29
COC1=CC=C(C(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247167	1	53	-1.0	-50.57	403.11	4.26	-46.31
CC1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247168	0	40	-1.0	-49.56	325.39	3.29	-46.27
CC1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247168	1	40	-1.0	-49.58	325.47	3.30	-46.28
CC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247169	0	40	-1.0	-45.75	332.14	3.93	-41.82
CC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247169	1	40	-1.0	-45.80	332.21	3.95	-41.85
CC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247170	0	43	-1.0	-47.63	335.13	4.03	-43.60
CC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247170	1	43	-1.0	-47.64	335.22	4.04	-43.60
O=C(NC1=CC=C(OC(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247171	0	41	-1.0	-48.51	336.74	2.12	-46.39
O=C(NC1=CC=C(OC(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247171	1	41	-1.0	-48.48	336.80	2.13	-46.35
O=C(NC1=CC=CC=C1OC(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247172	0	41	-1.0	-49.29	336.72	2.22	-47.07
O=C(NC1=CC=CC=C1OC(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247172	1	41	-1.0	-49.27	336.79	2.24	-47.03
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2S1	REAL300020247173	0	42	-1.0	-48.03	351.48	2.65	-45.38
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2S1	REAL300020247173	1	42	-1.0	-48.06	351.55	2.66	-45.40
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2O1	REAL300020247174	0	42	-1.0	-48.58	342.03	0.19	-48.39
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2O1	REAL300020247174	1	42	-1.0	-48.59	342.10	0.21	-48.38
CC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020247175	0	47	-1.0	-50.76	368.14	2.40	-48.36
CC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020247175	1	47	-1.0	-50.76	368.19	2.42	-48.34
CC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020247176	0	47	-1.0	-53.79	372.97	2.36	-51.43
CC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020247176	1	47	-1.0	-53.79	373.03	2.37	-51.42
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1N1CCCC1=O	REAL300020247177	0	51	-1.0	-53.10	402.34	4.93	-48.17
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1N1CCCC1=O	REAL300020247177	1	51	-1.0	-53.10	402.41	4.95	-48.15
O=C(NC1=CC=C(NC(=O)C2CC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247178	0	48	-1.0	-52.14	384.44	3.14	-49.00
O=C(NC1=CC=C(NC(=O)C2CC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247178	1	48	-1.0	-52.17	384.51	3.16	-49.01
CCS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247179	0	46	-1.0	-51.92	379.62	0.97	-50.95
CCS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247179	1	46	-1.0	-51.94	379.68	0.98	-50.96
CC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247180	0	44	-1.0	-49.79	369.19	2.11	-47.68
CC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247180	1	44	-1.0	-49.82	369.26	2.11	-47.71
C#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247181	0	39	-1.0	-48.86	325.07	3.81	-45.05
C#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247181	1	39	-1.0	-48.85	325.13	3.83	-45.02
CN(C)C(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247182	0	47	-1.0	-56.15	369.70	2.50	-53.65
CN(C)C(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247182	1	47	-1.0	-56.14	369.77	2.51	-53.63
NC(=O)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247183	0	45	-1.0	-59.20	365.57	-0.04	-59.24
NC(=O)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247183	1	45	-1.0	-59.20	365.63	-0.02	-59.22
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C(F)C=C1F	REAL300020247184	0	43	-1.0	-47.05	363.33	3.30	-43.75
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C(F)C=C1F	REAL300020247184	1	43	-1.0	-47.10	363.39	3.31	-43.79
O=C(NC1=CC=CC=C1N1CCCCCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247185	0	55	-1.0	-48.19	400.61	4.53	-43.66
O=C(NC1=CC=CC=C1N1CCCCCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247185	1	55	-1.0	-48.22	400.68	4.55	-43.67
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247186	0	51	-1.0	-51.32	393.99	3.50	-47.82
O=C(NC1=CC=C(C(=O)N2CCCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247186	1	51	-1.0	-51.35	394.04	3.51	-47.84
O=C(NC1=CC=C(Cl)C2=CC=CN=C12)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247187	0	42	-1.0	-50.49	352.98	3.43	-47.06
O=C(NC1=CC=C(Cl)C2=CC=CN=C12)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247187	1	42	-1.0	-50.48	352.91	3.40	-47.08
CC(=O)NC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020247188	0	44	-1.0	-52.26	359.03	1.66	-50.60
CC(=O)NC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020247188	1	44	-1.0	-52.33	359.09	1.68	-50.65
CC(C)(C)NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247189	0	53	-1.0	-49.04	409.47	3.07	-45.97
CC(C)(C)NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247189	1	53	-1.0	-49.07	409.52	3.08	-45.99
COC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247190	0	53	0.0	-74.18	405.23	3.82	-70.36
COC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247190	1	53	0.0	-74.15	405.30	3.82	-70.33
CC1=CC(C2=CC=CC=C2)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247191	0	50	-1.0	-47.54	390.96	6.77	-40.77
CC1=CC(C2=CC=CC=C2)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247191	1	50	-1.0	-47.50	391.04	6.77	-40.73
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247192	0	47	-1.0	-49.11	378.22	6.05	-43.06
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247192	1	47	-1.0	-49.10	378.29	6.06	-43.04
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1N(C)C	REAL300020247193	0	48	-1.0	-45.98	372.26	3.19	-42.79
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1N(C)C	REAL300020247193	1	48	-1.0	-46.03	372.32	3.21	-42.82
CN1C=NN=C1C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247194	0	46	-1.0	-59.63	368.78	5.11	-54.52
CN1C=NN=C1C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247194	1	46	-1.0	-59.62	368.86	5.10	-54.52
CC1=CC(N2CCOCC2)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247195	0	53	-1.0	-47.87	399.51	2.23	-45.64
CC1=CC(N2CCOCC2)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247195	1	53	-1.0	-47.86	399.58	2.22	-45.64
CCN1C=NN=C1C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247196	0	49	-1.0	-50.09	386.79	6.00	-44.09
CCN1C=NN=C1C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247196	1	49	-1.0	-50.06	386.86	5.99	-44.07
CCN(CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)C(C)=O	REAL300020247197	0	53	-1.0	-59.47	404.50	5.58	-53.89
CCN(CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)C(C)=O	REAL300020247197	1	53	-1.0	-59.48	404.57	5.59	-53.89
O=C(NC1=CC2=C(C=C1Cl)OCCO2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247198	0	43	-1.0	-48.98	356.76	2.34	-46.64
O=C(NC1=CC2=C(C=C1Cl)OCCO2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247198	1	43	-1.0	-49.01	356.82	2.32	-46.69
O=C(NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247199	0	46	-1.0	-49.87	372.58	5.24	-44.63
O=C(NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247199	1	46	-1.0	-49.88	372.66	5.26	-44.62
CN(C)C1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247200	0	45	-1.0	-47.32	360.02	2.53	-44.79
CN(C)C1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247200	1	45	-1.0	-47.35	360.08	2.53	-44.82
CC1=CC(N(C)C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247201	0	48	-1.0	-48.37	368.43	3.81	-44.56
CC1=CC(N(C)C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247201	1	48	-1.0	-48.29	368.50	3.83	-44.46
COC(=O)C1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020247202	0	46	-1.0	-47.55	382.66	3.70	-43.85
COC(=O)C1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020247202	1	46	-1.0	-47.56	382.73	3.72	-43.84
O=C([N-]C1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247203	0	42	-2.0	-112.18	358.87	3.27	-108.91
O=C([N-]C1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247203	1	42	-2.0	-112.18	358.81	3.26	-108.92
O=C(NC1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247203	1	43	-1.0	-49.29	361.47	4.37	-44.92
O=C(NC1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247203	1	43	-1.0	-49.31	361.41	4.36	-44.95
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NO1	REAL300020247204	0	36	-1.0	-48.86	294.07	1.79	-47.07
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NO1	REAL300020247204	1	36	-1.0	-48.81	294.12	1.82	-46.99
CCOC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC=C1	REAL300020247205	0	43	-1.0	-53.92	361.83	3.29	-50.63
CCOC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC=C1	REAL300020247205	1	43	-1.0	-53.89	361.89	3.30	-50.59
N#CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC=C1	REAL300020247206	0	35	-1.0	-50.34	308.77	2.02	-48.32
N#CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC=C1	REAL300020247206	1	35	-1.0	-50.33	308.83	2.03	-48.30
COCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247207	0	48	-1.0	-48.77	382.82	2.11	-46.66
COCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247207	1	48	-1.0	-48.75	382.88	2.13	-46.62
N#CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247208	0	42	-1.0	-54.08	348.20	2.56	-51.52
N#CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247208	1	42	-1.0	-54.09	348.25	2.57	-51.52
CNC(=O)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247209	0	48	-1.0	-58.91	387.49	1.40	-57.51
CNC(=O)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247209	1	48	-1.0	-58.93	387.55	1.41	-57.52
O=C(NC1=CC=CC(N2CCCCC2=O)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247210	0	51	-1.0	-57.19	397.91	4.38	-52.81
O=C(NC1=CC=CC(N2CCCCC2=O)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247210	1	51	-1.0	-57.23	397.98	4.39	-52.84
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247211	0	53	-1.0	-49.66	411.66	3.79	-45.87
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247211	1	53	-1.0	-49.65	411.72	3.80	-45.85
CCC(=O)NC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247212	0	50	-1.0	-50.73	392.04	3.04	-47.69
CCC(=O)NC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247212	1	50	-1.0	-50.78	392.10	3.05	-47.73
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247213	0	51	-1.0	-50.34	404.12	3.82	-46.52
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247213	1	51	-1.0	-50.33	404.18	3.83	-46.50
CC(=O)NC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247214	0	47	-1.0	-50.71	371.74	2.30	-48.41
CC(=O)NC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247214	1	47	-1.0	-50.72	371.80	2.32	-48.40
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247215	0	46	-1.0	-49.88	373.97	1.79	-48.09
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247215	1	46	-1.0	-49.92	374.06	1.80	-48.12
CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247216	0	40	-1.0	-47.29	316.94	3.43	-43.86
CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247216	1	40	-1.0	-47.31	317.01	3.45	-43.86
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020247217	0	43	-1.0	-47.24	336.95	4.09	-43.15
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020247217	1	43	-1.0	-47.21	337.02	4.09	-43.12
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247218	0	40	-1.0	-46.86	319.25	3.29	-43.57
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247218	1	40	-1.0	-46.91	319.30	3.31	-43.60
CCN(C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1)C(C)C	REAL300020247219	0	54	-1.0	-47.84	404.57	5.21	-42.63
CCN(C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1)C(C)C	REAL300020247219	1	54	-1.0	-47.85	404.64	5.23	-42.62
CC1=CC(N2CCCC2)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247220	0	52	-1.0	-46.86	389.92	3.69	-43.17
CC1=CC(N2CCCC2)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247220	1	52	-1.0	-46.93	389.99	3.71	-43.22
O=C(NC1=CC=CC(N2C=NN=N2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247221	0	42	-1.0	-56.47	345.81	2.73	-53.74
O=C(NC1=CC=CC(N2C=NN=N2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247221	1	42	-1.0	-56.47	345.75	2.72	-53.75
O=C(NC1=CC(Cl)=CC=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247222	0	37	-1.0	-47.33	320.72	3.14	-44.19
O=C(NC1=CC(Cl)=CC=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247222	1	37	-1.0	-47.31	320.80	3.14	-44.17
O=C(NC1=CC=CC2=CC=CN=C21)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247223	0	42	-1.0	-54.99	338.57	3.01	-51.98
O=C(NC1=CC=CC2=CC=CN=C21)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247223	1	42	-1.0	-55.04	338.50	2.99	-52.05
CCNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247224	0	47	-1.0	-54.26	375.76	1.77	-52.49
CCNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247224	1	47	-1.0	-54.31	375.81	1.76	-52.55
O=C(NC1=CC=C(C2=NC=CS2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247225	0	43	-1.0	-47.40	362.91	3.44	-43.96
O=C(NC1=CC=C(C2=NC=CS2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247225	1	43	-1.0	-47.37	362.84	3.42	-43.95
O=C(NC1=CC=C2OC3(CCCC3)OC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247226	0	50	-1.0	-48.13	390.09	3.98	-44.15
O=C(NC1=CC=C2OC3(CCCC3)OC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247226	1	50	-1.0	-48.15	390.17	3.99	-44.16
CC(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247227	0	46	-1.0	-46.60	357.69	4.46	-42.14
CC(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247227	1	46	-1.0	-46.60	357.75	4.47	-42.13
CCCCCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247228	0	52	-1.0	-46.28	404.87	6.33	-39.95
CCCCCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247228	1	52	-1.0	-46.28	404.92	6.35	-39.93
CCCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247229	0	46	-1.0	-46.37	361.87	4.77	-41.60
CCCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247229	1	46	-1.0	-46.37	361.93	4.79	-41.58
COC(=O)C1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247230	0	43	-1.0	-50.92	367.84	3.79	-47.13
COC(=O)C1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247230	1	43	-1.0	-50.89	367.91	3.80	-47.09
O=C(NC1=CC=CC=C1SC(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247231	0	41	-1.0	-49.10	346.03	3.92	-45.18
O=C(NC1=CC=CC=C1SC(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247231	1	41	-1.0	-49.11	346.11	3.94	-45.17
CNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247232	0	44	-1.0	-54.93	354.27	0.93	-54.00
CNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247232	1	44	-1.0	-54.90	354.32	0.92	-53.98
NC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247233	0	41	-1.0	-55.63	332.03	-0.66	-56.29
NC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247233	1	41	-1.0	-55.62	332.09	-0.64	-56.26
O=C(NC1=CC=C2OCC(=O)NC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247234	0	43	-1.0	-48.22	348.25	-0.22	-48.44
O=C(NC1=CC=C2OCC(=O)NC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247234	1	43	-1.0	-48.22	348.32	-0.21	-48.43
N#CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247235	0	42	-1.0	-51.02	348.55	2.62	-48.40
N#CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247235	1	42	-1.0	-51.05	348.61	2.63	-48.42
O=C(NC1=CC=C(N2CCCC2=O)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247236	0	48	-1.0	-54.13	375.12	3.70	-50.43
O=C(NC1=CC=C(N2CCCC2=O)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247236	1	48	-1.0	-54.09	375.19	3.70	-50.39
CC1=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=CS1	REAL300020247237	0	46	-1.0	-52.76	382.10	4.00	-48.76
CC1=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=CS1	REAL300020247237	1	46	-1.0	-52.75	382.04	3.98	-48.77
C[NH+]1CCN(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)CC1	REAL300020247238	0	55	0.0	-63.35	413.26	4.11	-59.24
C[NH+]1CCN(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)CC1	REAL300020247238	1	55	0.0	-63.39	413.33	4.11	-59.28
CN1CCN(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)CC1	REAL300020247238	1	54	-1.0	-49.03	410.45	1.74	-47.29
CN1CCN(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)CC1	REAL300020247238	1	54	-1.0	-49.06	410.53	1.74	-47.32
CS(=O)(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247239	0	43	-1.0	-56.45	364.66	0.14	-56.31
CS(=O)(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247239	1	43	-1.0	-56.45	364.74	0.14	-56.31
CC(=O)N1CCC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020247240	0	48	-1.0	-50.07	375.04	3.43	-46.64
CC(=O)N1CCC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020247240	1	48	-1.0	-50.05	375.11	3.45	-46.60
CC1=CC=C(S(C)(=O)=O)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247241	0	46	-1.0	-54.34	376.09	0.93	-53.41
CC1=CC=C(S(C)(=O)=O)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247241	1	46	-1.0	-54.29	376.15	0.94	-53.35
COC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247242	0	46	-1.0	-50.79	370.20	4.07	-46.72
COC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247242	1	46	-1.0	-50.78	370.27	4.09	-46.69
CCC1=CC=C(Cl)C(CC)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247243	0	49	-1.0	-46.20	381.37	5.63	-40.57
CCC1=CC=C(Cl)C(CC)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247243	1	49	-1.0	-46.18	381.42	5.64	-40.54
O=C(NC1=CC=C2CCCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247244	0	44	-1.0	-47.78	343.92	4.45	-43.33
O=C(NC1=CC=C2CCCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247244	1	44	-1.0	-47.82	343.99	4.47	-43.35
CCCOC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247245	0	49	-1.0	-46.32	395.87	5.00	-41.32
CCCOC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247245	1	49	-1.0	-46.35	395.92	5.01	-41.34
CC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020247246	0	43	-1.0	-48.47	350.82	4.48	-43.99
CC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020247246	1	43	-1.0	-48.51	350.90	4.49	-44.02
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247247	0	38	-1.0	-45.63	333.70	3.37	-42.26
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247247	1	38	-1.0	-45.65	333.76	3.38	-42.27
O=C(NC1=CC=C(CC2=CC=NC=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247248	0	49	-1.0	-50.16	395.16	5.24	-44.92
O=C(NC1=CC=C(CC2=CC=NC=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247248	1	49	-1.0	-50.16	395.21	5.26	-44.90
CCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247249	0	43	-1.0	-47.48	336.89	4.21	-43.27
CCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247249	1	43	-1.0	-47.49	336.96	4.22	-43.27
COC1=CC(OC)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247250	0	45	-1.0	-49.79	372.37	1.77	-48.02
COC1=CC(OC)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247250	1	45	-1.0	-49.82	372.44	1.78	-48.04
CC1=CC(=O)OC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C12	REAL300020247251	0	45	-1.0	-53.49	363.37	4.62	-48.87
CC1=CC(=O)OC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C12	REAL300020247251	1	45	-1.0	-53.52	363.42	4.64	-48.88
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1OCC	REAL300020247252	0	51	-1.0	-47.62	399.92	3.59	-44.03
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1OCC	REAL300020247252	1	51	-1.0	-47.65	399.98	3.61	-44.04
CS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247253	0	43	-1.0	-53.04	358.51	0.14	-52.90
CS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247253	1	43	-1.0	-52.99	358.57	0.15	-52.84
CC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247254	0	40	-1.0	-44.76	323.35	3.50	-41.26
CC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247254	1	40	-1.0	-44.74	323.42	3.51	-41.23
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247255	0	43	-1.0	-50.13	352.61	3.29	-46.84
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247255	1	43	-1.0	-50.09	352.66	3.30	-46.79
COC1=CC=C(NC(C)=O)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247256	0	48	-1.0	-53.57	383.25	0.78	-52.79
COC1=CC=C(NC(C)=O)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247256	1	48	-1.0	-53.57	383.32	0.79	-52.78
O=C(NC1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247257	0	48	-1.0	-48.28	382.62	6.65	-41.63
O=C(NC1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247257	1	48	-1.0	-48.36	382.69	6.67	-41.69
O=C(NC1=CC=C(OCC(F)(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247258	0	44	-1.0	-47.42	368.42	3.24	-44.18
O=C(NC1=CC=C(OCC(F)(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247258	1	44	-1.0	-47.41	368.47	3.25	-44.16
O=C(NC1=CC=CC(N2CCNC2=O)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247259	0	47	-1.0	-61.51	370.41	1.31	-60.20
O=C(NC1=CC=CC(N2CCNC2=O)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247259	1	47	-1.0	-61.48	370.47	1.32	-60.16
O=C(NC1=CC=C(OC2CCCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247260	0	51	-1.0	-46.48	393.33	4.91	-41.57
O=C(NC1=CC=C(OC2CCCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247260	1	51	-1.0	-46.50	393.40	4.93	-41.57
O=C(NC1=CC=CC(OC2CCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247261	0	51	-1.0	-48.75	393.42	4.91	-43.84
O=C(NC1=CC=CC(OC2CCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247261	1	51	-1.0	-48.74	393.48	4.92	-43.82
COC1=C(C)C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020247262	0	47	-1.0	-47.35	367.62	3.66	-43.69
COC1=C(C)C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020247262	1	47	-1.0	-47.34	367.69	3.66	-43.68
O=C(NC1=CC=CC(CN2CCOC2=O)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247263	0	49	-1.0	-52.12	395.16	3.39	-48.73
O=C(NC1=CC=CC(CN2CCOC2=O)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247263	1	49	-1.0	-52.18	395.22	3.41	-48.77
O=C(NC1=C(F)C=C2CCC(=O)NC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247264	0	45	-1.0	-51.80	363.82	1.80	-50.00
O=C(NC1=C(F)C=C2CCC(=O)NC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247264	1	45	-1.0	-51.76	363.89	1.82	-49.94
O=C(NC1=CC=CC(N2CCOC2=O)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247265	0	46	-1.0	-61.24	366.50	2.69	-58.55
O=C(NC1=CC=CC(N2CCOC2=O)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247265	1	46	-1.0	-61.23	366.55	2.70	-58.53
O=C(NC1=CC=CC(N2CCCC2=O)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247266	0	48	-1.0	-59.19	375.97	3.70	-55.49
O=C(NC1=CC=CC(N2CCCC2=O)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247266	1	48	-1.0	-59.18	376.04	3.70	-55.48
COC(=O)COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247267	0	47	-1.0	-51.07	383.70	3.54	-47.53
COC(=O)COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247267	1	47	-1.0	-51.15	383.76	3.55	-47.60
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1NC(C)=O	REAL300020247268	0	48	-1.0	-51.35	381.93	0.99	-50.36
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1NC(C)=O	REAL300020247268	1	48	-1.0	-51.35	382.00	1.01	-50.34
O=C(NC1=CC=C(N2CCNC(=O)C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247269	0	50	-1.0	-50.82	392.34	-0.07	-50.89
O=C(NC1=CC=C(N2CCNC(=O)C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247269	1	50	-1.0	-50.83	392.41	-0.05	-50.88
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247270	0	51	-1.0	-55.87	404.89	3.38	-52.49
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247270	1	51	-1.0	-55.88	404.97	3.40	-52.48
CNC(=O)C1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247271	0	44	-1.0	-56.05	369.50	1.42	-54.63
CNC(=O)C1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247271	1	44	-1.0	-56.00	369.57	1.43	-54.57
CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020247272	0	47	-1.0	-50.22	373.29	1.71	-48.51
CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020247272	1	47	-1.0	-50.26	373.36	1.73	-48.53
CNC(=O)C1=CC=C(OC)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247273	0	48	-1.0	-59.28	383.25	0.22	-59.06
CNC(=O)C1=CC=C(OC)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247273	1	48	-1.0	-59.32	383.32	0.21	-59.11
CNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020247274	0	47	-1.0	-54.04	367.51	1.64	-52.40
CNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020247274	1	47	-1.0	-54.01	367.58	1.67	-52.34
CNC(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247275	0	47	-1.0	-53.08	376.35	1.69	-51.39
CNC(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247275	1	47	-1.0	-53.04	376.42	1.70	-51.34
CNC(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247276	0	47	-1.0	-55.22	378.58	1.51	-53.71
CNC(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247276	1	47	-1.0	-55.23	378.64	1.53	-53.70
CNC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247277	0	47	-1.0	-55.57	371.86	1.70	-53.87
CNC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247277	1	47	-1.0	-55.58	371.93	1.71	-53.87
CCNC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247278	0	50	-1.0	-56.00	394.79	2.53	-53.47
CCNC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247278	1	50	-1.0	-56.01	394.86	2.53	-53.48
O=C(NC1=CC=C(OC2CCCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247279	0	51	-1.0	-46.48	393.33	4.91	-41.57
O=C(NC1=CC=C(OC2CCCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247279	1	51	-1.0	-46.50	393.40	4.93	-41.57
CC(C)OC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247280	0	47	-1.0	-50.94	367.22	3.55	-47.39
CC(C)OC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247280	1	47	-1.0	-50.92	367.27	3.56	-47.36
CCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247281	0	47	-1.0	-48.38	370.34	3.57	-44.81
CCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247281	1	47	-1.0	-48.37	370.40	3.59	-44.78
COC1=CC=C(OC(F)F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247282	0	45	-1.0	-50.04	364.93	1.55	-48.49
COC1=CC=C(OC(F)F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247282	1	45	-1.0	-50.05	365.01	1.55	-48.50
O=C(NC1=CC=C2SCC(=O)NC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247283	0	43	-1.0	-47.35	357.55	1.58	-45.77
O=C(NC1=CC=C2SCC(=O)NC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247283	1	43	-1.0	-47.33	357.61	1.59	-45.74
O=C(NC1=CC=C2OC(F)(F)OC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247284	0	40	-1.0	-45.51	338.02	1.64	-43.87
O=C(NC1=CC=C2OC(F)(F)OC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247284	1	40	-1.0	-45.48	338.09	1.65	-43.83
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)=CS1	REAL300020247285	0	46	-1.0	-48.95	382.89	3.97	-44.98
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)=CS1	REAL300020247285	1	46	-1.0	-48.94	382.82	3.96	-44.98
CSC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247286	0	41	-1.0	-46.25	337.68	3.56	-42.69
CSC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247286	1	41	-1.0	-46.20	337.74	3.58	-42.62
CS(=O)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247287	0	43	-1.0	-54.42	358.18	0.07	-54.35
CS(=O)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247287	1	43	-1.0	-54.42	358.23	0.09	-54.33
CC1OC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2NC1=O	REAL300020247288	0	46	-1.0	-47.80	368.53	0.44	-47.36
CC1OC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2NC1=O	REAL300020247288	1	46	-1.0	-47.78	368.59	0.47	-47.31
O=C(NC1=CC=CC(C(=O)NC2CC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247289	0	48	-1.0	-55.27	385.56	2.55	-52.72
O=C(NC1=CC=CC(C(=O)NC2CC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247289	1	48	-1.0	-55.30	385.62	2.56	-52.74
O=C(NC1=CC(F)=CC(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247290	0	37	-1.0	-44.02	311.72	2.70	-41.32
O=C(NC1=CC(F)=CC(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247290	1	37	-1.0	-43.97	311.81	2.70	-41.27
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020247291	0	43	-1.0	-45.71	351.87	4.07	-41.64
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020247291	1	43	-1.0	-45.74	351.93	4.09	-41.65
N#CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020247292	0	38	-1.0	-45.81	333.74	3.36	-42.45
N#CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020247292	1	38	-1.0	-45.81	333.80	3.37	-42.44
O=C(NC1=CC=C(C(=O)NC2CC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247293	0	48	-1.0	-49.86	385.46	2.56	-47.30
O=C(NC1=CC=C(C(=O)NC2CC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247293	1	48	-1.0	-49.84	385.52	2.57	-47.27
O=C(NC1=CC=C(N2CCNC2=O)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247294	0	47	-1.0	-55.80	369.99	1.27	-54.53
O=C(NC1=CC=C(N2CCNC2=O)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247294	1	47	-1.0	-55.82	370.04	1.29	-54.53
CS(=O)(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247295	0	43	-1.0	-54.15	352.78	0.75	-53.40
CS(=O)(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247295	1	43	-1.0	-54.09	352.86	0.76	-53.33
COC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247296	0	41	-1.0	-47.24	333.25	1.94	-45.30
COC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247296	1	41	-1.0	-47.20	333.32	1.95	-45.25
CN(C)C(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247297	0	50	-1.0	-55.09	396.36	3.47	-51.62
CN(C)C(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247297	1	50	-1.0	-55.06	396.41	3.48	-51.58
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247298	0	50	-1.0	-55.10	386.55	3.26	-51.84
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247298	1	50	-1.0	-55.13	386.62	3.26	-51.87
O=C(NC1=CC=C(OC2=CN=CC=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247299	0	46	-1.0	-48.78	379.14	1.11	-47.67
O=C(NC1=CC=C(OC2=CN=CC=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247299	1	46	-1.0	-48.76	379.07	1.10	-47.66
O=C(NC1=CC=CC(OC2=CN=CC=N2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247300	0	46	-1.0	-50.89	379.25	1.19	-49.70
O=C(NC1=CC=CC(OC2=CN=CC=N2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247300	1	46	-1.0	-50.87	379.18	1.18	-49.69
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1N1C=NN=N1	REAL300020247301	0	45	-1.0	-50.10	361.50	3.58	-46.52
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1N1C=NN=N1	REAL300020247301	1	45	-1.0	-50.06	361.43	3.57	-46.49
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1N1C=NN=N1	REAL300020247302	0	45	-1.0	-48.93	366.83	3.85	-45.08
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1N1C=NN=N1	REAL300020247302	1	45	-1.0	-48.95	366.77	3.84	-45.11
CCOC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247303	0	48	-1.0	-50.24	386.76	1.81	-48.43
CCOC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247303	1	48	-1.0	-50.26	386.83	1.83	-48.43
O=C(NC1=CC=CC(CN2C=CC=N2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247304	0	47	-1.0	-49.95	381.34	4.23	-45.72
O=C(NC1=CC=CC(CN2C=CC=N2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247304	1	47	-1.0	-49.95	381.28	4.20	-45.75
O=C(NC1=CC=CC(CN2C=CN=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247305	0	47	-1.0	-52.07	380.76	5.82	-46.25
O=C(NC1=CC=CC(CN2C=CN=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247305	1	47	-1.0	-52.08	380.82	5.83	-46.25
O=C(NC1=CC=CC(CN2CCCC2=O)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247306	0	51	-1.0	-58.75	404.92	4.32	-54.43
O=C(NC1=CC=CC(CN2CCCC2=O)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247306	1	51	-1.0	-58.71	404.97	4.34	-54.37
O=C(NC1=CC=C(N2C=NN=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247307	0	42	-1.0	-51.76	346.72	2.73	-49.03
O=C(NC1=CC=C(N2C=NN=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247307	1	42	-1.0	-51.74	346.65	2.71	-49.03
CC1=CC(Br)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247308	0	40	-1.0	-44.61	338.23	4.04	-40.57
CC1=CC(Br)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247308	1	40	-1.0	-44.54	338.30	4.06	-40.48
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C(OC)C=C1Cl	REAL300020247309	0	45	-1.0	-47.90	372.38	1.77	-46.13
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C(OC)C=C1Cl	REAL300020247309	1	45	-1.0	-47.91	372.45	1.77	-46.14
O=C(NC1=CC=CC(Cl)=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247310	0	37	-1.0	-48.82	320.04	3.04	-45.78
O=C(NC1=CC=CC(Cl)=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247310	1	37	-1.0	-48.86	320.11	3.06	-45.80
CCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247311	0	47	-1.0	-50.66	370.31	3.68	-46.98
CCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247311	1	47	-1.0	-50.63	370.39	3.69	-46.94
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC=C1N1C=NN=N1	REAL300020247312	0	45	-1.0	-53.03	364.42	3.88	-49.15
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC=C1N1C=NN=N1	REAL300020247312	1	45	-1.0	-53.08	364.37	3.87	-49.21
CCN(CC)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247313	0	53	-1.0	-50.16	408.37	4.17	-45.99
CCN(CC)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247313	1	53	-1.0	-50.21	408.44	4.17	-46.04
O=C(NC1=CC=CC=C1C(=O)N1CCCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247314	0	51	-1.0	-60.84	397.53	3.83	-57.01
O=C(NC1=CC=CC=C1C(=O)N1CCCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247314	1	51	-1.0	-60.82	397.60	3.85	-56.97
O=C(NC1=CC=CC=C1N1CCCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247315	0	49	-1.0	-49.46	370.07	3.49	-45.97
O=C(NC1=CC=CC=C1N1CCCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247315	1	49	-1.0	-49.48	370.14	3.50	-45.98
CN(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247316	0	47	-1.0	-50.90	369.27	2.35	-48.55
CN(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247316	1	47	-1.0	-50.86	369.35	2.37	-48.49
CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247317	0	44	-1.0	-50.03	354.17	0.93	-49.10
CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247317	1	44	-1.0	-50.02	354.22	0.93	-49.09
CN1C(=O)C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1=O	REAL300020247318	0	44	-1.0	-47.34	364.24	1.81	-45.53
CN1C(=O)C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1=O	REAL300020247318	1	44	-1.0	-47.33	364.31	1.83	-45.50
O=C(NC1=CC=C2OCCCOC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247319	0	46	-1.0	-48.58	360.36	2.49	-46.09
O=C(NC1=CC=C2OCCCOC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247319	1	46	-1.0	-48.57	360.42	2.50	-46.07
COCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247320	0	44	-1.0	-46.49	349.13	2.56	-43.93
COCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247320	1	44	-1.0	-46.52	349.20	2.58	-43.94
O=C(NC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247321	0	53	0.0	-67.77	400.11	5.56	-62.21
O=C(NC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247321	1	53	0.0	-67.77	400.18	5.57	-62.20
CC[NH+](CC)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247322	0	55	0.0	-67.43	410.66	5.81	-61.62
CC[NH+](CC)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247322	1	55	0.0	-67.45	410.72	5.83	-61.62
O=C(NC1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247323	0	56	0.0	-67.96	417.40	6.31	-61.65
O=C(NC1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247323	1	56	0.0	-67.99	417.46	6.33	-61.66
C[NH+](C)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247324	0	49	0.0	-69.49	375.89	4.45	-65.04
C[NH+](C)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247324	1	49	0.0	-69.51	375.94	4.47	-65.04
O=C(NC1=CC=CN=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247325	0	36	-1.0	-46.99	293.35	0.81	-46.18
O=C(NC1=CC=CN=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247325	1	36	-1.0	-47.01	293.28	0.81	-46.20
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247326	0	40	-1.0	-45.90	325.96	-0.72	-46.62
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247326	1	40	-1.0	-45.87	325.89	-0.72	-46.59
CC(C)N1N=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CN=C21	REAL300020247327	0	48	-1.0	-47.91	386.00	3.30	-44.61
CC(C)N1N=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CN=C21	REAL300020247327	1	48	-1.0	-47.90	385.92	3.31	-44.59
O=C(NC1=CC=C(N2CCCC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247328	0	48	-1.0	-46.79	372.78	2.50	-44.29
O=C(NC1=CC=C(N2CCCC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247328	1	48	-1.0	-46.77	372.86	2.49	-44.28
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247329	0	44	-1.0	-48.17	348.62	2.43	-45.74
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247329	1	44	-1.0	-48.16	348.70	2.43	-45.73
O=C(NC1=CC2=CC=CC=C2N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247330	0	42	-1.0	-47.77	338.83	2.96	-44.81
O=C(NC1=CC2=CC=CC=C2N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247330	1	42	-1.0	-47.75	338.78	2.95	-44.80
CC1=NN(C)C2=NC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C12	REAL300020247331	0	45	-1.0	-47.95	364.84	2.28	-45.67
CC1=NN(C)C2=NC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C12	REAL300020247331	1	45	-1.0	-47.94	364.91	2.30	-45.64
O=C(NC1=CC=C(N2C=NC=N2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247332	0	42	-1.0	-47.31	349.29	4.42	-42.89
O=C(NC1=CC=C(N2C=NC=N2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247332	1	42	-1.0	-47.28	349.21	4.42	-42.86
O=C(NC1=CC=C(N2C=CC=N2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247333	0	43	-1.0	-47.92	354.04	3.07	-44.85
O=C(NC1=CC=C(N2C=CC=N2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247333	1	43	-1.0	-47.89	353.97	3.06	-44.83
O=C(NC1=CC=C(N2N=CC=N2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247334	0	42	-1.0	-50.99	348.50	1.57	-49.42
O=C(NC1=CC=C(N2N=CC=N2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247334	1	42	-1.0	-50.96	348.42	1.58	-49.38
CC1=CC=C(Br)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247335	0	40	-1.0	-45.70	336.70	4.04	-41.66
CC1=CC=C(Br)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247335	1	40	-1.0	-45.67	336.77	4.06	-41.61
COC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247336	0	40	-1.0	-49.81	324.57	-0.60	-50.41
COC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247336	1	40	-1.0	-49.79	324.50	-0.62	-50.41
C[NH+](C)CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247337	0	53	0.0	-71.84	406.08	4.29	-67.55
C[NH+](C)CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247337	1	53	0.0	-71.80	406.13	4.30	-67.50
CC1=NN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=N2)C(C)=C1	REAL300020247338	0	49	-1.0	-48.40	393.84	4.52	-43.88
CC1=NN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=N2)C(C)=C1	REAL300020247338	1	49	-1.0	-48.37	393.76	4.51	-43.86
NC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247339	0	41	-1.0	-58.71	337.67	-2.65	-61.36
NC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247339	1	41	-1.0	-58.69	337.60	-2.64	-61.33
COCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247340	0	47	-1.0	-47.34	381.02	-0.54	-47.88
COCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247340	1	47	-1.0	-47.35	380.95	-0.56	-47.91
CC(C)OC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247341	0	46	-1.0	-50.24	366.48	1.18	-49.06
CC(C)OC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247341	1	46	-1.0	-50.21	366.42	1.17	-49.04
COCCOCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247342	0	51	-1.0	-49.52	408.03	2.51	-47.01
COCCOCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247342	1	51	-1.0	-49.55	408.09	2.53	-47.02
N#CCCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247343	0	48	-1.0	-55.74	391.19	4.09	-51.65
N#CCCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247343	1	48	-1.0	-55.70	391.25	4.11	-51.59
COCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247344	0	48	-1.0	-51.36	382.46	2.05	-49.31
COCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247344	1	48	-1.0	-51.35	382.52	2.06	-49.29
CCCOC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247345	0	47	-1.0	-49.03	386.97	4.16	-44.87
CCCOC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247345	1	47	-1.0	-49.02	387.04	4.16	-44.86
CCOC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247346	0	47	-1.0	-50.60	370.22	3.54	-47.06
CCOC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247346	1	47	-1.0	-50.63	370.29	3.56	-47.07
CCCOC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247347	0	50	-1.0	-50.55	391.72	4.34	-46.21
CCCOC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247347	1	50	-1.0	-50.52	391.79	4.36	-46.16
CS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247348	0	42	-1.0	-53.78	355.51	-1.80	-55.58
CS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247348	1	42	-1.0	-53.80	355.43	-1.80	-55.60
COC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247349	0	45	-1.0	-50.58	364.90	0.88	-49.70
COC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247349	1	45	-1.0	-50.62	364.97	0.90	-49.72
COC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247350	0	45	-1.0	-54.30	364.44	0.87	-53.43
COC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247350	1	45	-1.0	-54.32	364.51	0.90	-53.42
CC(C)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020247351	0	51	-1.0	-46.46	395.48	3.43	-43.03
CC(C)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020247351	1	51	-1.0	-46.47	395.54	3.44	-43.03
CC1=NN(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)C(C)=C1	REAL300020247352	0	50	-1.0	-54.44	398.71	4.88	-49.56
CC1=NN(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)C(C)=C1	REAL300020247352	1	50	-1.0	-54.42	398.77	4.91	-49.51
O=C(C(=O)N1CCCCC1C1=N[N-]N=N1)N1CC2CCCN2C2=CC=CC=C21	REAL300020247353	0	50	-1.0	-47.30	369.58	4.63	-42.67
O=C(C(=O)N1CCCCC1C1=NN=N[N-]1)N1CC2CCCN2C2=CC=CC=C21	REAL300020247353	1	50	-1.0	-47.31	369.65	4.63	-42.68
CC1=NC(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NO1	REAL300020247354	0	45	-1.0	-56.81	365.77	2.41	-54.40
CC1=NC(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NO1	REAL300020247354	1	45	-1.0	-56.83	365.70	2.40	-54.43
O=C(NC1=CC=C(OC(F)F)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247355	0	41	-1.0	-47.11	342.96	2.20	-44.91
O=C(NC1=CC=C(OC(F)F)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247355	1	41	-1.0	-47.12	343.02	2.20	-44.92
O=C(C(=O)N1CCCCC1C1=N[N-]N=N1)N1CCCC2=CC=C(F)C=C21	REAL300020247356	0	44	-1.0	-45.94	338.44	5.25	-40.69
O=C(C(=O)N1CCCCC1C1=NN=N[N-]1)N1CCCC2=CC=C(F)C=C21	REAL300020247356	1	44	-1.0	-45.95	338.51	5.26	-40.69
O=C(NC1=CC=CC=C1OC1CCCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247357	0	51	-1.0	-51.09	391.54	4.84	-46.25
O=C(NC1=CC=CC=C1OC1CCCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247357	1	51	-1.0	-51.08	391.61	4.84	-46.24
COCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020247358	0	51	-1.0	-48.87	401.90	2.93	-45.94
COCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020247358	1	51	-1.0	-48.87	401.98	2.93	-45.94
O=C(NC1=CC=C(N2C=CN=C2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247359	0	43	-1.0	-48.16	351.44	4.21	-43.95
O=C(NC1=CC=C(N2C=CN=C2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247359	1	43	-1.0	-48.17	351.52	4.23	-43.94
CC1=NC=CN1C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247360	0	46	-1.0	-48.37	368.55	4.67	-43.70
CC1=NC=CN1C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247360	1	46	-1.0	-48.35	368.62	4.69	-43.66
NC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247361	0	41	-1.0	-56.83	338.51	-0.60	-57.43
NC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247361	1	41	-1.0	-56.84	338.58	-0.59	-57.43
COCCN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247362	0	44	-1.0	-48.14	355.38	0.28	-47.86
COCCN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247362	1	44	-1.0	-48.14	355.32	0.26	-47.88
NC(=O)CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247363	0	48	-1.0	-51.52	386.50	-0.24	-51.76
NC(=O)CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247363	1	48	-1.0	-51.52	386.57	-0.23	-51.75
CC1=NN=C(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)O1	REAL300020247364	0	45	-1.0	-61.53	366.54	0.05	-61.48
CC1=NN=C(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)O1	REAL300020247364	1	45	-1.0	-61.54	366.61	0.07	-61.47
CNC(=O)C1CN(C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020247365	0	49	-1.0	-44.01	382.79	2.74	-41.27
CNC(=O)C1CN(C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020247365	1	49	-1.0	-44.04	382.83	2.77	-41.27
CCN(CC)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247366	0	50	-1.0	-47.96	391.11	4.32	-43.64
CCN(CC)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247366	1	50	-1.0	-47.98	391.19	4.32	-43.66
O=C(NC1=CC=C(N2CCNC(=O)C2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247367	0	49	-1.0	-54.38	382.66	-1.39	-55.77
O=C(NC1=CC=C(N2CCNC(=O)C2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247367	1	49	-1.0	-54.37	382.72	-1.39	-55.76
CC(C)CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247368	0	53	-1.0	-48.86	416.03	3.27	-45.59
CC(C)CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247368	1	53	-1.0	-48.88	416.09	3.27	-45.61
CCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247369	0	47	-1.0	-49.45	375.65	1.76	-47.69
CCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247369	1	47	-1.0	-49.45	375.71	1.76	-47.69
CC(C)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247370	0	50	-1.0	-48.39	390.44	4.27	-44.12
CC(C)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247370	1	50	-1.0	-48.40	390.50	4.29	-44.11
O=C(NC1=CC=CN=C1N1C=CC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247371	0	43	-1.0	-54.25	350.29	3.62	-50.63
O=C(NC1=CC=CN=C1N1C=CC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247371	1	43	-1.0	-54.20	350.23	3.61	-50.59
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247372	0	44	-1.0	-46.26	364.86	3.32	-42.94
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247372	1	44	-1.0	-46.24	364.92	3.33	-42.91
O=C(NC1=CC=C(OCC(F)(F)F)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247373	0	43	-1.0	-45.35	367.39	0.67	-44.68
O=C(NC1=CC=C(OCC(F)(F)F)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247373	1	43	-1.0	-45.30	367.31	0.68	-44.62
CCOC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247374	0	43	-1.0	-49.95	346.35	0.26	-49.69
CCOC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247374	1	43	-1.0	-49.95	346.29	0.24	-49.71
CCOC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1OC	REAL300020247375	0	48	-1.0	-47.73	378.07	2.68	-45.05
CCOC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1OC	REAL300020247375	1	48	-1.0	-47.77	378.13	2.69	-45.08
O=C(NC1=CC=CN=C1OC1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247376	0	47	-1.0	-53.02	382.78	3.02	-50.00
O=C(NC1=CC=CN=C1OC1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247376	1	47	-1.0	-52.96	382.72	3.00	-49.96
CCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247377	0	44	-1.0	-47.41	355.23	2.94	-44.47
CCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247377	1	44	-1.0	-47.45	355.31	2.96	-44.49
CNC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020247378	0	44	-1.0	-47.55	366.49	1.37	-46.18
CNC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020247378	1	44	-1.0	-47.53	366.54	1.38	-46.15
CC1=CC(OC(C)C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247379	0	50	-1.0	-46.89	386.52	4.27	-42.62
CC1=CC(OC(C)C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247379	1	50	-1.0	-46.90	386.57	4.29	-42.61
CC(C)NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247380	0	50	-1.0	-49.54	396.28	2.58	-46.96
CC(C)NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247380	1	50	-1.0	-49.57	396.34	2.59	-46.98
O=C(NC1=CC=C(N2CCCC2)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247381	0	49	-1.0	-46.47	377.89	2.94	-43.53
O=C(NC1=CC=C(N2CCCC2)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247381	1	49	-1.0	-46.50	377.95	2.96	-43.54
CCCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247382	0	50	-1.0	-49.20	397.15	2.53	-46.67
CCCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247382	1	50	-1.0	-49.19	397.21	2.52	-46.67
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020247383	0	44	-1.0	-46.84	355.06	2.84	-44.00
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020247383	1	44	-1.0	-46.88	355.12	2.85	-44.03
COC1=C(F)C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020247384	0	41	-1.0	-44.24	343.85	2.15	-42.09
COC1=C(F)C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020247384	1	41	-1.0	-44.29	343.92	2.15	-42.14
O=C(NC1=CC2=NC=CN=C2C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247385	0	41	-1.0	-49.77	333.66	1.01	-48.76
O=C(NC1=CC2=NC=CN=C2C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247385	1	41	-1.0	-49.76	333.61	0.99	-48.77
O=C(NC1=CC=CC(CN2C=NC=N2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247386	0	46	-1.0	-51.33	376.10	5.65	-45.68
O=C(NC1=CC=CC(CN2C=NC=N2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247386	1	46	-1.0	-51.28	376.04	5.64	-45.64
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247387	0	46	-1.0	-45.78	367.53	1.12	-44.66
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247387	1	46	-1.0	-45.80	367.46	1.11	-44.69
CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247388	0	44	-1.0	-51.16	366.37	1.36	-49.80
CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247388	1	44	-1.0	-51.17	366.43	1.37	-49.80
CC(=O)NC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247389	0	44	-1.0	-50.82	368.95	2.03	-48.79
CC(=O)NC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247389	1	44	-1.0	-50.85	369.01	2.03	-48.82
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020247390	0	50	-1.0	-46.56	389.78	4.46	-42.10
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020247390	1	50	-1.0	-46.54	389.85	4.46	-42.08
CCCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247391	0	50	-1.0	-50.73	391.81	4.46	-46.27
CCCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247391	1	50	-1.0	-50.74	391.88	4.47	-46.27
CC(C)(C)C1=NN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247392	0	43	-2.0	-110.83	360.31	1.47	-109.36
CC(C)(C)C1=NN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247392	1	43	-2.0	-110.85	360.26	1.47	-109.38
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020247393	0	44	-1.0	-46.85	347.05	2.58	-44.27
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020247393	1	44	-1.0	-46.82	347.11	2.59	-44.23
CCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020247394	0	50	-1.0	-49.57	394.78	2.56	-47.01
CCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020247394	1	50	-1.0	-49.55	394.85	2.56	-46.99
CC(C)COC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247395	0	50	-1.0	-50.87	390.42	4.36	-46.51
CC(C)COC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247395	1	50	-1.0	-50.89	390.49	4.38	-46.51
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247396	0	47	-1.0	-45.86	386.36	4.13	-41.73
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247396	1	47	-1.0	-45.90	386.41	4.13	-41.77
O=C(NC1=CC=CC(C2=CN=CO2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247397	0	43	-1.0	-51.59	352.17	0.98	-50.61
O=C(NC1=CC=CC(C2=CN=CO2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247397	1	43	-1.0	-51.55	352.11	0.97	-50.58
COCCOC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247398	0	51	-1.0	-53.47	403.85	2.81	-50.66
COCCOC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247398	1	51	-1.0	-53.52	403.92	2.83	-50.69
O=C(NC1=CC=C(CN2CCOC2=O)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247399	0	49	-1.0	-56.32	395.51	3.47	-52.85
O=C(NC1=CC=C(CN2CCOC2=O)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247399	1	49	-1.0	-56.36	395.57	3.48	-52.88
O=C(NC1=CC=CC(N2C=CN=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247400	0	44	-1.0	-49.53	352.65	5.01	-44.52
O=C(NC1=CC=CC(N2C=CN=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247400	1	44	-1.0	-49.55	352.71	5.02	-44.53
CCCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020247401	0	53	-1.0	-46.41	411.28	5.24	-41.17
CCCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020247401	1	53	-1.0	-46.41	411.35	5.25	-41.16
O=C(NC1=CC=CC=C1CN1CCOCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247402	0	53	-1.0	-50.47	397.40	2.08	-48.39
O=C(NC1=CC=CC=C1CN1CCOCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247402	1	53	-1.0	-50.44	397.48	2.09	-48.35
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020247403	0	47	-1.0	-46.88	368.28	3.66	-43.22
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020247403	1	47	-1.0	-46.88	368.35	3.67	-43.21
C=CCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247404	0	48	-1.0	-49.03	388.46	2.31	-46.72
C=CCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247404	1	48	-1.0	-49.07	388.52	2.31	-46.76
COCCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247405	0	51	-1.0	-53.63	403.99	2.75	-50.88
COCCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247405	1	51	-1.0	-53.67	404.06	2.76	-50.91
CCCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247406	0	50	-1.0	-48.27	391.84	4.35	-43.92
CCCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247406	1	50	-1.0	-48.25	391.89	4.37	-43.88
O=C(NC1=CC=C2NC(=O)COC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247407	0	43	-1.0	-48.88	348.24	-0.23	-49.11
O=C(NC1=CC=C2NC(=O)COC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247407	1	43	-1.0	-48.90	348.30	-0.21	-49.11
CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247408	0	44	-1.0	-48.04	348.83	2.77	-45.27
CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247408	1	44	-1.0	-48.02	348.89	2.79	-45.23
O=C(NC1=CC=C(N2CCOC2=O)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247409	0	46	-1.0	-54.68	366.53	2.69	-51.99
O=C(NC1=CC=C(N2CCOC2=O)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247409	1	46	-1.0	-54.69	366.58	2.70	-51.99
O=C(NC1=CC=CC(C2=NC=CS2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247410	0	43	-1.0	-50.85	362.06	3.45	-47.40
O=C(NC1=CC=CC(C2=NC=CS2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247410	1	43	-1.0	-50.85	362.00	3.44	-47.41
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247411	0	53	-1.0	-49.60	415.40	3.38	-46.22
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247411	1	53	-1.0	-49.64	415.47	3.39	-46.25
CC1=NOC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020247412	0	45	-1.0	-49.14	370.31	1.91	-47.23
CC1=NOC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020247412	1	45	-1.0	-49.13	370.25	1.90	-47.23
CCCC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020247413	0	53	-1.0	-50.04	409.93	3.99	-46.05
CCCC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020247413	1	53	-1.0	-50.05	409.98	4.00	-46.05
CC(C)OCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247414	0	50	-1.0	-47.38	394.68	4.00	-43.38
CC(C)OCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247414	1	50	-1.0	-47.36	394.73	4.02	-43.34
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CC=CN=C12	REAL300020247415	0	46	-1.0	-49.68	366.03	2.38	-47.30
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CC=CN=C12	REAL300020247415	1	46	-1.0	-49.65	365.96	2.38	-47.27
COCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247416	0	48	-1.0	-53.57	382.44	2.15	-51.42
COCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247416	1	48	-1.0	-53.63	382.51	2.16	-51.47
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247417	0	53	-1.0	-59.26	415.06	4.60	-54.66
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247417	1	53	-1.0	-59.24	415.12	4.59	-54.65
CC(C)OCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247418	0	50	-1.0	-47.86	394.68	4.00	-43.86
CC(C)OCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247418	1	50	-1.0	-47.85	394.74	4.02	-43.83
CCOC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247419	0	45	-1.0	-50.42	368.36	3.31	-47.11
CCOC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247419	1	45	-1.0	-50.42	368.43	3.31	-47.11
C=CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247420	0	45	-1.0	-48.14	361.74	3.37	-44.77
C=CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247420	1	45	-1.0	-48.14	361.80	3.38	-44.76
COCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020247421	0	48	-1.0	-49.13	388.69	2.10	-47.03
COCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020247421	1	48	-1.0	-49.16	388.75	2.13	-47.03
CCC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247422	0	50	-1.0	-46.65	389.81	4.39	-42.26
CCC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247422	1	50	-1.0	-46.65	389.88	4.41	-42.24
CN(C)C(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247423	0	50	-1.0	-53.82	394.53	3.64	-50.18
CN(C)C(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247423	1	50	-1.0	-53.87	394.60	3.65	-50.22
O=C(NC1=CC=C(CC[NH+]2CCCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247424	0	56	0.0	-73.01	424.65	6.54	-66.47
O=C(NC1=CC=C(CC[NH+]2CCCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247424	1	56	0.0	-73.02	424.70	6.56	-66.46
COC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247425	0	41	-1.0	-47.59	345.85	2.52	-45.07
COC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247425	1	41	-1.0	-47.58	345.92	2.52	-45.06
COC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247426	0	48	-1.0	-50.37	387.33	3.02	-47.35
COC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247426	1	48	-1.0	-50.37	387.39	3.03	-47.34
O=C(NC1=CC=C2CCC3=C2C1=CC=C3)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247427	0	47	-1.0	-50.36	367.16	6.12	-44.24
O=C(NC1=CC=C2CCC3=C2C1=CC=C3)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247427	1	47	-1.0	-50.39	367.21	6.13	-44.26
CCC(C)NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247428	0	53	-1.0	-49.36	416.91	3.54	-45.82
CCC(C)NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247428	1	53	-1.0	-49.39	416.96	3.54	-45.85
O=C(NC1=CC=CN=C1N1CCOCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247429	0	49	-1.0	-47.06	376.33	1.46	-45.60
O=C(NC1=CC=CN=C1N1CCOCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247429	1	49	-1.0	-47.07	376.40	1.49	-45.58
O=C(NC1=CC=CC(N2CCCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247430	0	52	-1.0	-47.10	390.44	3.82	-43.28
O=C(NC1=CC=CC(N2CCCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247430	1	52	-1.0	-47.10	390.50	3.84	-43.26
CN1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1	REAL300020247431	0	46	-1.0	-46.98	358.88	1.28	-45.70
CN1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1	REAL300020247431	1	46	-1.0	-47.00	358.95	1.30	-45.70
C[N@@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1	REAL300020247431	1	47	0.0	-73.87	362.19	4.05	-69.82
C[N@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1	REAL300020247431	1	47	0.0	-73.69	362.18	4.05	-69.64
C[N@@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1	REAL300020247431	1	47	0.0	-73.86	362.26	4.06	-69.80
C[N@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1	REAL300020247431	1	47	0.0	-73.68	362.25	4.06	-69.62
CC(C)OC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247432	0	48	-1.0	-50.41	387.16	3.89	-46.52
CC(C)OC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247432	1	48	-1.0	-50.42	387.21	3.91	-46.51
CCOC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247433	0	44	-1.0	-47.74	367.71	3.48	-44.26
CCOC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247433	1	44	-1.0	-47.72	367.77	3.49	-44.23
O=C(NC1=CC=CC(COCC2CC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247434	0	51	-1.0	-48.64	406.08	4.83	-43.81
O=C(NC1=CC=CC(COCC2CC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247434	1	51	-1.0	-48.67	406.14	4.84	-43.83
COC(=O)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247435	0	47	-1.0	-54.64	383.34	3.47	-51.17
COC(=O)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247435	1	47	-1.0	-54.67	383.40	3.49	-51.18
COC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247436	0	41	-1.0	-49.39	342.55	2.43	-46.96
COC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247436	1	41	-1.0	-49.43	342.61	2.44	-46.99
CSC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247437	0	41	-1.0	-49.23	353.07	4.16	-45.07
CSC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247437	1	41	-1.0	-49.22	353.14	4.17	-45.05
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020247438	0	47	-1.0	-46.66	368.91	3.52	-43.14
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020247438	1	47	-1.0	-46.69	368.97	3.53	-43.16
CC1=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=NO1	REAL300020247439	0	45	-1.0	-52.96	369.84	1.90	-51.06
CC1=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=NO1	REAL300020247439	1	45	-1.0	-52.93	369.78	1.89	-51.04
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247440	0	44	-1.0	-47.23	359.55	3.82	-43.41
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247440	1	44	-1.0	-47.22	359.50	3.80	-43.42
CC1(C)OC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2O1	REAL300020247441	0	46	-1.0	-48.24	366.61	2.82	-45.42
CC1(C)OC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2O1	REAL300020247441	1	46	-1.0	-48.24	366.68	2.84	-45.40
CC(C)CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247442	0	53	-1.0	-48.15	409.40	4.88	-43.27
CC(C)CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247442	1	53	-1.0	-48.11	409.45	4.89	-43.22
CC(=O)NC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020247443	0	44	-1.0	-52.17	367.71	2.17	-50.00
CC(=O)NC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020247443	1	44	-1.0	-52.15	367.78	2.19	-49.96
O=C(NC1=CC=C(C2=CSN=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247444	0	42	-1.0	-50.47	355.38	2.58	-47.89
O=C(NC1=CC=C(C2=CSN=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247444	1	42	-1.0	-50.45	355.45	2.60	-47.85
CC1=C(C)OC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020247445	0	49	-1.0	-51.41	395.29	2.42	-48.99
CC1=C(C)OC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020247445	1	49	-1.0	-51.46	395.24	2.41	-49.05
O=C(NC1=CC=CC(F)=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247446	0	37	-1.0	-49.74	310.16	2.62	-47.12
O=C(NC1=CC=CC(F)=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247446	1	37	-1.0	-49.74	310.23	2.62	-47.12
CN1C(=O)N(C)C2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020247447	0	47	-1.0	-50.70	378.25	3.45	-47.25
CN1C(=O)N(C)C2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020247447	1	47	-1.0	-50.72	378.32	3.46	-47.26
CS(=O)(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247448	0	46	-1.0	-59.12	382.51	0.75	-58.37
CS(=O)(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247448	1	46	-1.0	-59.11	382.56	0.78	-58.33
O=C(NC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247449	0	40	-1.0	-44.09	341.78	3.61	-40.48
O=C(NC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247449	1	40	-1.0	-44.10	341.84	3.63	-40.47
CCC1=CC=CC2=C1N(C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)CC2	REAL300020247450	0	47	-1.0	-48.04	347.24	5.68	-42.36
CCC1=CC=CC2=C1N(C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)CC2	REAL300020247450	1	47	-1.0	-48.08	347.34	5.68	-42.40
CC1=CC=C2CCN(C(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C2=C1	REAL300020247451	0	44	-1.0	-48.67	341.14	5.33	-43.34
CC1=CC=C2CCN(C(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C2=C1	REAL300020247451	1	44	-1.0	-48.69	341.21	5.34	-43.35
O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247452	0	46	-1.0	-47.44	383.06	4.35	-43.09
O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247452	1	46	-1.0	-47.45	383.15	4.36	-43.09
CCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247453	0	47	-1.0	-50.66	370.31	3.68	-46.98
CCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247453	1	47	-1.0	-50.63	370.39	3.69	-46.94
CC1=CC=C(C(N)=O)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247454	0	44	-1.0	-55.24	349.93	0.20	-55.04
CC1=CC=C(C(N)=O)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247454	1	44	-1.0	-55.27	350.00	0.21	-55.06
CS(=O)(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247455	0	46	-1.0	-57.40	377.97	1.16	-56.24
CS(=O)(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247455	1	46	-1.0	-57.45	378.05	1.18	-56.27
O=C(NC1=CC=C(N2N=CC=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247456	0	43	-1.0	-49.52	352.32	2.42	-47.10
O=C(NC1=CC=C(N2N=CC=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247456	1	43	-1.0	-49.48	352.25	2.41	-47.07
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(OC)=N1	REAL300020247457	0	44	-1.0	-47.84	356.68	-1.95	-49.79
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(OC)=N1	REAL300020247457	1	44	-1.0	-47.84	356.60	-1.95	-49.79
COC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247458	0	42	-1.0	-50.69	347.70	2.31	-48.38
COC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247458	1	42	-1.0	-50.70	347.77	2.32	-48.38
O=C(NC1=CC=C(OC2=CC=NC=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247459	0	47	-1.0	-46.87	381.79	3.68	-43.19
O=C(NC1=CC=C(OC2=CC=NC=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247459	1	47	-1.0	-46.89	381.84	3.69	-43.20
COC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247460	0	40	-1.0	-49.74	322.08	0.06	-49.68
COC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247460	1	40	-1.0	-49.73	322.15	0.06	-49.67
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020247461	0	47	-1.0	-48.42	373.81	3.53	-44.89
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020247461	1	47	-1.0	-48.41	373.86	3.54	-44.87
CC(C)C1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2S1	REAL300020247462	0	48	-1.0	-47.46	393.70	4.03	-43.43
CC(C)C1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2S1	REAL300020247462	1	48	-1.0	-47.42	393.76	4.05	-43.37
CC1=C(Cl)C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247463	0	40	-1.0	-43.98	347.86	4.08	-39.90
CC1=C(Cl)C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247463	1	40	-1.0	-43.98	347.93	4.09	-39.89
CS(=O)(=O)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247464	0	46	-1.0	-59.23	382.51	0.74	-58.49
CS(=O)(=O)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247464	1	46	-1.0	-59.16	382.57	0.77	-58.39
CC(C)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247465	0	52	-1.0	-46.31	400.94	6.06	-40.25
CC(C)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247465	1	52	-1.0	-46.29	400.99	6.07	-40.22
O=C(NC1=CC=C2OCCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247466	0	42	-1.0	-47.55	334.31	2.38	-45.17
O=C(NC1=CC=C2OCCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247466	1	42	-1.0	-47.57	334.38	2.39	-45.18
COCCN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC1=O	REAL300020247467	0	47	-1.0	-48.70	381.19	1.35	-47.35
COCCN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC1=O	REAL300020247467	1	47	-1.0	-48.71	381.25	1.36	-47.35
O=C(NC1=CC=CC=C1CN1CCCC1=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247468	0	51	-1.0	-62.51	395.98	4.93	-57.58
O=C(NC1=CC=CC=C1CN1CCCC1=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247468	1	51	-1.0	-62.55	396.06	4.93	-57.62
CC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247469	0	47	-1.0	-53.35	374.56	3.19	-50.16
CC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247469	1	47	-1.0	-53.34	374.62	3.21	-50.13
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020247470	0	46	-1.0	-46.88	371.63	4.08	-42.80
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020247470	1	46	-1.0	-46.92	371.70	4.10	-42.82
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247471	0	42	-1.0	-46.51	352.82	3.63	-42.88
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247471	1	42	-1.0	-46.51	352.75	3.62	-42.89
O=C(NC1=CC=C2N=CSC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247472	0	39	-1.0	-47.46	330.09	1.96	-45.50
O=C(NC1=CC=C2N=CSC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247472	1	39	-1.0	-47.47	330.00	1.97	-45.50
O=C(NC1=CC=CC=C1N1C=CN=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247473	0	43	-1.0	-64.93	346.22	2.96	-61.97
O=C(NC1=CC=CC=C1N1C=CN=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247473	1	43	-1.0	-64.88	346.16	2.95	-61.93
CCC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247474	0	47	-1.0	-53.19	374.37	2.37	-50.82
CCC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247474	1	47	-1.0	-53.23	374.43	2.39	-50.84
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1OC	REAL300020247475	0	48	-1.0	-47.82	378.07	2.68	-45.14
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1OC	REAL300020247475	1	48	-1.0	-47.78	378.13	2.67	-45.11
CC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247476	0	49	-1.0	-49.59	384.80	5.07	-44.52
CC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247476	1	49	-1.0	-49.55	384.88	5.08	-44.47
CC1=CSC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020247477	0	46	-1.0	-47.76	384.67	4.03	-43.73
CC1=CSC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020247477	1	46	-1.0	-47.77	384.60	4.01	-43.76
COC1=C(Cl)C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247478	0	41	-1.0	-43.87	363.45	3.13	-40.74
COC1=C(Cl)C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247478	1	41	-1.0	-43.86	363.51	3.13	-40.73
O=C(C(=O)N1CCCCC1C1=N[N-]N=N1)N1CC2(CCC2)C2=C(F)C=CC=C21	REAL300020247479	0	48	-1.0	-47.12	366.32	6.36	-40.76
O=C(C(=O)N1CCCCC1C1=NN=N[N-]1)N1CC2(CCC2)C2=C(F)C=CC=C21	REAL300020247479	1	48	-1.0	-47.11	366.38	6.38	-40.73
CC1=NN(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)C=C1	REAL300020247480	0	47	-1.0	-54.68	377.84	4.34	-50.34
CC1=NN(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)C=C1	REAL300020247480	1	47	-1.0	-54.71	377.89	4.36	-50.35
O=C(NC1=CC=CC(C(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247481	0	40	-1.0	-50.27	331.64	3.48	-46.79
O=C(NC1=CC=CC(C(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247481	1	40	-1.0	-50.24	331.70	3.50	-46.74
O=C(NC1=CC=C2SC=NC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247482	0	39	-1.0	-48.89	329.68	1.94	-46.95
O=C(NC1=CC=C2SC=NC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247482	1	39	-1.0	-48.88	329.61	1.92	-46.96
O=C(NC1=CC=CC(C2=CC=CS2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247483	0	44	-1.0	-49.17	364.85	5.18	-43.99
O=C(NC1=CC=CC(C2=CC=CS2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247483	1	44	-1.0	-49.23	364.91	5.19	-44.04
O=C(NC1=CC=C(Cl)C(C(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247484	0	40	-1.0	-46.14	345.32	3.90	-42.24
O=C(NC1=CC=C(Cl)C(C(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247484	1	40	-1.0	-46.14	345.37	3.92	-42.22
CC(=O)N1CCCC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020247485	0	51	-1.0	-55.46	390.99	4.28	-51.18
CC(=O)N1CCCC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020247485	1	51	-1.0	-55.44	391.05	4.28	-51.16
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020247486	0	41	-1.0	-51.92	336.47	-0.57	-52.49
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020247486	1	41	-1.0	-51.90	336.53	-0.55	-52.45
O=C(NC1=CC=C(OC2CCCC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247487	0	50	-1.0	-45.72	391.78	2.44	-43.28
O=C(NC1=CC=C(OC2CCCC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247487	1	50	-1.0	-45.72	391.70	2.45	-43.27
O=C(NC1=CC=C(N2C=CN=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247488	0	43	-1.0	-51.46	350.81	2.45	-49.01
O=C(NC1=CC=C(N2C=CN=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247488	1	43	-1.0	-51.39	350.74	2.43	-48.96
O=C(NC1=CC=C(C2=NOC=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247489	0	42	-1.0	-50.78	347.90	1.20	-49.58
O=C(NC1=CC=C(C2=NOC=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247489	1	42	-1.0	-50.73	347.83	1.19	-49.54
CN1C=CC2=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020247490	0	44	-1.0	-52.09	352.07	4.29	-47.80
CN1C=CC2=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020247490	1	44	-1.0	-52.10	352.14	4.31	-47.79
CC1=C(Br)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247491	0	40	-1.0	-45.62	333.52	3.93	-41.69
CC1=C(Br)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247491	1	40	-1.0	-45.63	333.59	3.92	-41.71
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1OCC(F)F	REAL300020247492	0	47	-1.0	-48.61	381.91	3.85	-44.76
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1OCC(F)F	REAL300020247492	1	47	-1.0	-48.61	381.97	3.86	-44.75
CC(C)(C)SC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247493	0	50	-1.0	-46.40	388.36	5.37	-41.03
CC(C)(C)SC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247493	1	50	-1.0	-46.38	388.42	5.39	-40.99
CC1=CSC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020247494	0	46	-1.0	-48.21	384.11	4.09	-44.12
CC1=CSC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020247494	1	46	-1.0	-48.18	384.05	4.10	-44.08
NC(=O)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247495	0	47	-1.0	-51.30	378.05	0.83	-50.47
NC(=O)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247495	1	47	-1.0	-51.27	378.11	0.85	-50.42
O=C(NC1=CC(C(F)(F)F)=CNC1=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247496	0	40	-1.0	-55.74	343.29	1.38	-54.36
O=C(NC1=CC(C(F)(F)F)=CNC1=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247496	1	40	-1.0	-55.78	343.34	1.39	-54.39
O=C(NC1=CC=CC(N2CCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247497	0	49	-1.0	-47.96	376.01	3.08	-44.88
O=C(NC1=CC=CC(N2CCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247497	1	49	-1.0	-47.95	376.07	3.09	-44.86
O=C(C(=O)N1CCCCC1C1=N[N-]N=N1)N1CC2(CCCC2)C2=C(F)C=CC=C21	REAL300020247498	0	51	-1.0	-47.07	386.42	7.04	-40.03
O=C(C(=O)N1CCCCC1C1=NN=N[N-]1)N1CC2(CCCC2)C2=C(F)C=CC=C21	REAL300020247498	1	51	-1.0	-47.08	386.47	7.06	-40.02
CCOCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247499	0	47	-1.0	-47.97	374.41	3.25	-44.72
CCOCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247499	1	47	-1.0	-47.98	374.46	3.26	-44.72
COC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300020247500	0	46	-1.0	-47.89	371.12	1.44	-46.45
COC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300020247500	1	46	-1.0	-47.86	371.06	1.43	-46.43
CN1C(=O)OC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020247501	0	43	-1.0	-50.12	352.57	2.49	-47.63
CN1C(=O)OC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020247501	1	43	-1.0	-50.08	352.65	2.51	-47.57
COCCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247502	0	48	-1.0	-52.40	388.77	2.18	-50.22
COCCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247502	1	48	-1.0	-52.42	388.84	2.18	-50.24
CCCN1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2C1	REAL300020247503	0	52	-1.0	-47.98	398.41	2.63	-45.35
CCC[N@@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2C1	REAL300020247503	1	53	0.0	-63.74	401.85	5.59	-58.15
CCC[N@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2C1	REAL300020247503	1	53	0.0	-62.94	402.69	5.53	-57.41
CCCN1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2C1	REAL300020247503	1	52	-1.0	-48.02	398.49	2.64	-45.38
CCC[N@@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2C1	REAL300020247503	1	53	0.0	-63.74	401.91	5.60	-58.14
CCC[N@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2C1	REAL300020247503	1	53	0.0	-62.89	402.76	5.54	-57.35
N#CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020247504	0	38	-1.0	-46.45	324.25	2.98	-43.47
N#CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020247504	1	38	-1.0	-46.45	324.31	3.00	-43.45
C[NH+](C)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247505	0	52	0.0	-74.44	398.32	5.30	-69.14
C[NH+](C)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247505	1	52	0.0	-74.46	398.38	5.31	-69.15
N#CC1=CC=C(OC(F)F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247506	0	42	-1.0	-48.06	356.26	2.67	-45.39
N#CC1=CC=C(OC(F)F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247506	1	42	-1.0	-48.06	356.33	2.66	-45.40
COC(=O)NC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020247507	0	45	-1.0	-49.73	369.85	0.97	-48.76
COC(=O)NC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020247507	1	45	-1.0	-49.72	369.91	0.98	-48.74
CSCCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247508	0	47	-1.0	-46.58	385.10	5.23	-41.35
CSCCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247508	1	47	-1.0	-46.59	385.16	5.24	-41.35
CC(C)(C)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NO1	REAL300020247509	0	45	-1.0	-47.90	355.96	3.60	-44.30
CC(C)(C)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NO1	REAL300020247509	1	45	-1.0	-47.93	355.90	3.59	-44.34
CSC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247510	0	40	-1.0	-45.55	337.26	1.97	-43.58
CSC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247510	1	40	-1.0	-45.56	337.18	1.98	-43.58
C=C(C)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247511	0	48	-1.0	-48.44	381.15	4.17	-44.27
C=C(C)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247511	1	48	-1.0	-48.49	381.21	4.19	-44.30
O=C(NC1=CC=C(F)C=C1C(F)(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247512	0	40	-1.0	-46.91	339.47	3.89	-43.02
O=C(NC1=CC=C(F)C=C1C(F)(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247512	1	40	-1.0	-46.92	339.54	3.89	-43.03
O=C(NC1=CC(F)=CC=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247513	0	37	-1.0	-46.66	319.47	3.21	-43.45
O=C(NC1=CC(F)=CC=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247513	1	37	-1.0	-46.69	319.54	3.21	-43.48
CSCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247514	0	44	-1.0	-47.54	363.60	4.44	-43.10
CSCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247514	1	44	-1.0	-47.55	363.66	4.45	-43.10
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020247515	0	44	-1.0	-46.99	346.42	2.72	-44.27
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020247515	1	44	-1.0	-47.07	346.49	2.72	-44.35
CC1=NC2=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC=C2C=C1	REAL300020247516	0	45	-1.0	-55.74	360.24	3.66	-52.08
CC1=NC2=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC=C2C=C1	REAL300020247516	1	45	-1.0	-55.76	360.30	3.67	-52.09
O=C(NC1=CC=CC(SC(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247517	0	41	-1.0	-47.78	347.30	3.81	-43.97
O=C(NC1=CC=CC(SC(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247517	1	41	-1.0	-47.73	347.36	3.83	-43.90
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020247518	0	40	-1.0	-44.56	324.19	3.26	-41.30
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020247518	1	40	-1.0	-44.59	324.25	3.27	-41.32
CC(C)N(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247519	0	51	-1.0	-47.81	387.29	4.49	-43.32
CC(C)N(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247519	1	51	-1.0	-47.76	387.36	4.51	-43.25
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020247520	0	46	-1.0	-46.78	368.84	3.75	-43.03
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020247520	1	46	-1.0	-46.82	368.91	3.77	-43.05
O=C(NC1=CC=C2NC(=O)CCCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247521	0	48	-1.0	-48.79	372.95	2.67	-46.12
O=C(NC1=CC=C2NC(=O)CCCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247521	1	48	-1.0	-48.80	373.01	2.70	-46.10
CSCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247522	0	44	-1.0	-47.87	363.61	4.44	-43.43
CSCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247522	1	44	-1.0	-47.84	363.67	4.45	-43.39
CNC(=O)COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247523	0	48	-1.0	-54.59	387.86	1.47	-53.12
CNC(=O)COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247523	1	48	-1.0	-54.60	387.91	1.47	-53.13
CC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247524	0	39	-1.0	-47.28	310.65	1.58	-45.70
CC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247524	1	39	-1.0	-47.32	310.73	1.59	-45.73
COC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1OC	REAL300020247525	0	45	-1.0	-48.91	362.70	1.83	-47.08
COC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1OC	REAL300020247525	1	45	-1.0	-48.89	362.77	1.83	-47.06
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247526	0	43	-1.0	-46.93	352.50	3.29	-43.64
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247526	1	43	-1.0	-46.93	352.56	3.29	-43.64
CCCCN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247527	0	54	-1.0	-47.56	413.81	5.45	-42.11
CCCCN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247527	1	54	-1.0	-47.57	413.87	5.45	-42.12
COC(=O)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247528	0	49	-1.0	-49.32	395.83	4.80	-44.52
COC(=O)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247528	1	49	-1.0	-49.28	395.89	4.82	-44.46
CN1C(=O)CCC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020247529	0	48	-1.0	-48.72	374.20	3.46	-45.26
CN1C(=O)CCC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020247529	1	48	-1.0	-48.68	374.26	3.48	-45.20
CCOC1=CC=C(OC)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247530	0	48	-1.0	-51.92	378.07	2.06	-49.86
CCOC1=CC=C(OC)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247530	1	48	-1.0	-51.93	378.14	2.07	-49.86
O=C(NC1=C(F)C=CC=C1N1C=CC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247531	0	44	-1.0	-61.61	355.44	4.44	-57.17
O=C(NC1=C(F)C=CC=C1N1C=CC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247531	1	44	-1.0	-61.66	355.37	4.43	-57.23
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C(N)=O	REAL300020247532	0	44	-1.0	-49.22	348.46	0.12	-49.10
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C(N)=O	REAL300020247532	1	44	-1.0	-49.21	348.53	0.13	-49.08
O=C(NC1=CC(F)=C(F)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247533	0	37	-1.0	-44.42	316.69	2.73	-41.69
O=C(NC1=CC(F)=C(F)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247533	1	37	-1.0	-44.46	316.76	2.73	-41.73
COC1=CC=C(OC(C)C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247534	0	51	-1.0	-51.92	396.59	2.80	-49.12
COC1=CC=C(OC(C)C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247534	1	51	-1.0	-51.91	396.65	2.81	-49.10
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C(=O)NC(C)C	REAL300020247535	0	53	-1.0	-47.41	412.21	3.16	-44.25
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C(=O)NC(C)C	REAL300020247535	1	53	-1.0	-47.37	412.28	3.17	-44.20
CC(C#N)CSC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247536	0	48	-1.0	-50.09	397.50	5.58	-44.51
CC(C#N)CSC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247536	1	48	-1.0	-50.08	397.57	5.59	-44.49
O=C(NC1=CC=C(NC(=O)C2CC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247537	0	47	-1.0	-55.58	381.70	2.67	-52.91
O=C(NC1=CC=C(NC(=O)C2CC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247537	1	47	-1.0	-55.52	381.64	2.66	-52.86
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C(=O)NC(C)C	REAL300020247538	0	53	-1.0	-48.98	412.65	3.17	-45.81
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C(=O)NC(C)C	REAL300020247538	1	53	-1.0	-48.98	412.72	3.20	-45.78
O=C(NC1=CC=C(OCC2CC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247539	0	48	-1.0	-46.34	380.51	4.35	-41.99
O=C(NC1=CC=C(OCC2CC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247539	1	48	-1.0	-46.36	380.58	4.36	-42.00
CC(=O)NCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247540	0	47	-1.0	-50.16	379.68	1.57	-48.59
CC(=O)NCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247540	1	47	-1.0	-50.17	379.73	1.58	-48.59
CCS(=O)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247541	0	46	-1.0	-53.62	379.64	0.97	-52.65
CCS(=O)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247541	1	46	-1.0	-53.65	379.70	0.98	-52.67
CC(C)COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247542	0	49	-1.0	-45.39	389.00	1.67	-43.72
CC(C)COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247542	1	49	-1.0	-45.42	388.93	1.67	-43.75
CC(CC#N)SC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247543	0	48	-1.0	-60.19	393.41	5.43	-54.76
CC(CC#N)SC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247543	1	48	-1.0	-60.15	393.46	5.44	-54.71
N#CCCSC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247544	0	45	-1.0	-51.27	378.74	5.07	-46.20
N#CCCSC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247544	1	45	-1.0	-51.30	378.82	5.08	-46.22
C#CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247545	0	43	-1.0	-49.95	354.62	3.32	-46.63
C#CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247545	1	43	-1.0	-49.94	354.68	3.34	-46.60
C#CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247546	0	43	-1.0	-48.06	354.98	3.38	-44.68
C#CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247546	1	43	-1.0	-48.03	355.04	3.40	-44.63
CC(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247547	0	43	-1.0	-45.63	340.77	2.76	-42.87
CC(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247547	1	43	-1.0	-45.61	340.71	2.76	-42.85
CC1=CC=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020247548	0	48	-1.0	-50.67	389.24	4.48	-46.19
CC1=CC=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020247548	1	48	-1.0	-50.62	389.17	4.50	-46.12
CC1=CC=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020247549	0	48	-1.0	-52.82	388.32	4.50	-48.32
CC1=CC=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020247549	1	48	-1.0	-52.75	388.26	4.50	-48.25
O=C(NC1=CC=C(Br)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247550	0	37	-1.0	-44.38	324.49	3.22	-41.16
O=C(NC1=CC=C(Br)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247550	1	37	-1.0	-44.32	324.55	3.23	-41.09
CCOC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC(C)=C1	REAL300020247551	0	46	-1.0	-53.86	383.63	4.06	-49.80
CCOC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC(C)=C1	REAL300020247551	1	46	-1.0	-53.87	383.69	4.07	-49.80
CCCN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020247552	0	50	-1.0	-49.59	395.56	5.95	-43.64
CCCN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020247552	1	50	-1.0	-49.59	395.63	5.97	-43.62
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C#N	REAL300020247553	0	41	-1.0	-53.79	336.58	3.48	-50.31
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C#N	REAL300020247553	1	41	-1.0	-53.83	336.65	3.49	-50.34
CC1CN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)CCO1	REAL300020247554	0	53	-1.0	-47.68	403.57	2.10	-45.58
CC1CN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)CCO1	REAL300020247554	1	53	-1.0	-47.64	403.64	2.12	-45.52
COC(=O)NCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247555	0	48	-1.0	-49.21	390.50	0.98	-48.23
COC(=O)NCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247555	1	48	-1.0	-49.24	390.56	1.00	-48.24
O=C(NC1=CC=C(OC2CCCCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247556	0	54	-1.0	-46.23	410.68	5.51	-40.72
O=C(NC1=CC=C(OC2CCCCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247556	1	54	-1.0	-46.23	410.75	5.53	-40.70
CC1=CC=CC(C2=CSC([N-]C(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)=C1	REAL300020247557	0	45	-2.0	-112.96	380.33	3.94	-109.02
CC1=CC=CC(C2=CSC([N-]C(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)=C1	REAL300020247557	1	45	-2.0	-112.96	380.27	3.93	-109.03
CC1=CC=CC(C2=CSC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)=C1	REAL300020247557	1	46	-1.0	-49.55	382.93	5.03	-44.52
CC1=CC=CC(C2=CSC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)=C1	REAL300020247557	1	46	-1.0	-49.55	382.87	5.03	-44.52
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247558	0	43	-1.0	-46.53	364.72	3.60	-42.93
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247558	1	43	-1.0	-46.55	364.78	3.62	-42.93
O=C(NC1=CC=C2NC(=O)CC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247559	0	42	-1.0	-48.48	340.50	1.00	-47.48
O=C(NC1=CC=C2NC(=O)CC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247559	1	42	-1.0	-48.46	340.57	1.00	-47.46
CC1CN(C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020247560	0	45	-1.0	-45.12	344.34	3.98	-41.14
CC1CN(C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020247560	1	45	-1.0	-45.06	344.41	3.98	-41.08
CCSC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247561	0	44	-1.0	-47.80	359.16	4.41	-43.39
CCSC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247561	1	44	-1.0	-47.79	359.21	4.43	-43.36
O=C(NC1=NN(C2=CC=NC=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247562	0	43	-1.0	-52.41	351.62	2.85	-49.56
O=C(NC1=NN(C2=CC=NC=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247562	1	43	-1.0	-52.38	351.56	2.83	-49.55
O=C(NC1=NN(C2=CC=[NH+]C=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247562	1	44	0.0	-75.88	354.98	3.30	-72.58
O=C(NC1=NN(C2=CC=[NH+]C=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247562	1	44	0.0	-75.89	354.93	3.29	-72.60
CC(C)(C)OC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247563	0	50	-1.0	-51.47	377.37	3.75	-47.72
CC(C)(C)OC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247563	1	50	-1.0	-51.51	377.43	3.75	-47.76
CC1=NN=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)O1	REAL300020247564	0	45	-1.0	-54.10	370.42	-0.79	-54.89
CC1=NN=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)O1	REAL300020247564	1	45	-1.0	-54.07	370.48	-0.77	-54.84
O=C(NC1=CC=CC=C1CC(F)(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247565	0	43	-1.0	-49.69	352.78	4.78	-44.91
O=C(NC1=CC=CC=C1CC(F)(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247565	1	43	-1.0	-49.74	352.84	4.79	-44.95
O=C(NC1=CC=C(OC2=CC=CC=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247566	0	47	-1.0	-49.48	384.48	3.06	-46.42
O=C(NC1=CC=C(OC2=CC=CC=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247566	1	47	-1.0	-49.50	384.41	3.04	-46.46
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020247567	0	50	-1.0	-46.79	388.13	4.31	-42.48
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020247567	1	50	-1.0	-46.77	388.20	4.32	-42.45
O=C(NC1=CC=CC(N2CCCCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247568	0	55	-1.0	-47.08	402.61	4.21	-42.87
O=C(NC1=CC=CC(N2CCCCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247568	1	55	-1.0	-47.10	402.68	4.22	-42.88
COC(=O)C1=CC(Cl)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247569	0	43	-1.0	-47.84	369.93	3.71	-44.13
COC(=O)C1=CC(Cl)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247569	1	43	-1.0	-47.79	370.00	3.72	-44.07
O=C(NC1=CC=C(F)C=C1OCC1CC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247570	0	48	-1.0	-47.80	386.89	4.53	-43.27
O=C(NC1=CC=C(F)C=C1OCC1CC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247570	1	48	-1.0	-47.83	386.96	4.54	-43.29
CC1=CN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2F)N=C1	REAL300020247571	0	47	-1.0	-47.13	381.43	4.50	-42.63
CC1=CN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2F)N=C1	REAL300020247571	1	47	-1.0	-47.14	381.38	4.48	-42.66
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C(=O)N(C)C	REAL300020247572	0	50	-1.0	-50.30	394.19	3.26	-47.04
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C(=O)N(C)C	REAL300020247572	1	50	-1.0	-50.34	394.25	3.28	-47.06
O=C(NC1=CC=CC=C1OCC1CC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247573	0	48	-1.0	-51.32	380.49	4.46	-46.86
O=C(NC1=CC=CC=C1OCC1CC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247573	1	48	-1.0	-51.34	380.56	4.47	-46.87
NS(=O)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247574	0	42	-1.0	-52.60	351.71	-2.50	-55.10
NS(=O)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247574	1	42	-1.0	-52.61	351.77	-2.48	-55.09
O=C(NC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247575	0	48	-1.0	-49.18	386.71	5.50	-43.68
O=C(NC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247575	1	48	-1.0	-49.17	386.78	5.51	-43.66
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC(C)=C1C	REAL300020247576	0	46	-1.0	-51.29	384.73	3.67	-47.62
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC(C)=C1C	REAL300020247576	1	46	-1.0	-51.28	384.79	3.68	-47.60
CC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247577	0	40	-1.0	-46.14	320.60	1.70	-44.44
CC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247577	1	40	-1.0	-46.11	320.65	1.72	-44.39
O=C(NC1=CC2=CNN=C2C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247578	0	40	-1.0	-51.45	324.64	1.26	-50.19
O=C(NC1=CC2=CNN=C2C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247578	1	40	-1.0	-51.43	324.71	1.27	-50.16
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1S(N)(=O)=O	REAL300020247579	0	45	-1.0	-53.78	367.16	-1.74	-55.52
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1S(N)(=O)=O	REAL300020247579	1	45	-1.0	-53.77	367.21	-1.72	-55.49
CN1N=C(C(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247580	0	49	-1.0	-46.24	380.88	3.60	-42.64
CN1N=C(C(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247580	1	49	-1.0	-46.24	380.82	3.59	-42.65
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247581	0	50	-1.0	-49.73	392.63	4.60	-45.13
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247581	1	50	-1.0	-49.73	392.69	4.60	-45.13
O=C(NC1=CC=C(Cl)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247582	0	36	-1.0	-44.72	310.20	1.21	-43.51
O=C(NC1=CC=C(Cl)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247582	1	36	-1.0	-44.70	310.13	1.19	-43.51
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020247583	0	43	-1.0	-48.40	357.18	3.30	-45.10
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020247583	1	43	-1.0	-48.39	357.23	3.32	-45.07
C=CCNC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247584	0	50	-1.0	-53.01	403.22	1.60	-51.41
C=CCNC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247584	1	50	-1.0	-52.98	403.29	1.61	-51.37
O=C(NC1=CC=C2NC=CC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247585	0	41	-1.0	-50.81	330.33	2.60	-48.21
O=C(NC1=CC=C2NC=CC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247585	1	41	-1.0	-50.77	330.42	2.60	-48.17
CC1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2N1	REAL300020247586	0	44	-1.0	-50.11	351.77	3.15	-46.96
CC1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2N1	REAL300020247586	1	44	-1.0	-50.11	351.84	3.16	-46.95
O=C(NC1=C2C=CNC2=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247587	0	41	-1.0	-51.35	329.51	2.52	-48.83
O=C(NC1=C2C=CNC2=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247587	1	41	-1.0	-51.33	329.58	2.52	-48.81
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247588	0	53	-1.0	-61.05	404.69	3.36	-57.69
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247588	1	53	-1.0	-61.05	404.76	3.37	-57.68
O=C(NC1=CC(Br)=CC=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247589	0	37	-1.0	-47.17	325.29	3.23	-43.94
O=C(NC1=CC(Br)=CC=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247589	1	37	-1.0	-47.19	325.36	3.24	-43.95
CC1=NOC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247590	0	39	-1.0	-45.25	312.49	1.16	-44.09
CC1=NOC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247590	1	39	-1.0	-45.26	312.57	1.17	-44.09
O=C(NC1=CC=CC(N2C=CC=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247591	0	45	-1.0	-47.80	358.37	5.33	-42.47
O=C(NC1=CC=CC(N2C=CC=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247591	1	45	-1.0	-47.80	358.43	5.35	-42.45
CC1=NN(C(C)(C)C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247592	0	49	-1.0	-46.40	374.56	3.94	-42.46
CC1=NN(C(C)(C)C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247592	1	49	-1.0	-46.40	374.62	3.94	-42.46
CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC1=O	REAL300020247593	0	43	-1.0	-48.86	348.04	2.26	-46.60
CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC1=O	REAL300020247593	1	43	-1.0	-48.86	348.11	2.27	-46.59
CCC1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020247594	0	45	-1.0	-49.36	363.62	0.95	-48.41
CCC1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020247594	1	45	-1.0	-49.33	363.70	0.97	-48.36
CC(C)(C)C1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020247595	0	51	-1.0	-49.06	403.90	2.13	-46.93
CC(C)(C)C1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020247595	1	51	-1.0	-49.04	403.84	2.11	-46.93
CC(C)C1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020247596	0	48	-1.0	-49.01	384.44	1.56	-47.45
CC(C)C1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020247596	1	48	-1.0	-49.05	384.50	1.57	-47.48
CC1=CC=CC=C1C1=NOC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247597	0	45	-2.0	-110.45	368.18	3.15	-107.30
CC1=CC=CC=C1C1=NOC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247597	1	45	-2.0	-110.46	368.24	3.16	-107.30
O=C(NC1=CC=C(N2C=NC=N2)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247598	0	43	-1.0	-46.62	354.50	5.08	-41.54
O=C(NC1=CC=C(N2C=NC=N2)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247598	1	43	-1.0	-46.63	354.44	5.07	-41.56
CCN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020247599	0	46	-1.0	-49.11	369.45	3.35	-45.76
CCN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020247599	1	46	-1.0	-49.12	369.38	3.34	-45.78
COCCN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020247600	0	50	-1.0	-49.59	403.12	2.40	-47.19
COCCN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020247600	1	50	-1.0	-49.55	403.05	2.39	-47.16
CC(C)CN1C=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020247601	0	53	-1.0	-50.24	413.35	6.52	-43.72
CC(C)CN1C=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020247601	1	53	-1.0	-50.29	413.42	6.54	-43.75
CCNC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247602	0	49	-1.0	-57.68	389.97	1.04	-56.64
CCNC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247602	1	49	-1.0	-57.68	390.03	1.05	-56.63
CCCN1C=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020247603	0	50	-1.0	-50.55	396.13	5.99	-44.56
CCCN1C=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020247603	1	50	-1.0	-50.58	396.21	6.00	-44.58
O=C(NC1=CC=C(OC2CCOC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247604	0	49	-1.0	-48.05	383.86	2.24	-45.81
O=C(NC1=CC=C(OC2CCOC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247604	1	49	-1.0	-48.00	383.93	2.26	-45.74
O=C(NC1=CC=CN=C1N1C=NC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247605	0	42	-1.0	-54.10	345.11	5.01	-49.09
O=C(NC1=CC=CN=C1N1C=NC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247605	1	42	-1.0	-54.13	345.04	5.00	-49.13
CC1=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=NN1	REAL300020247606	0	46	-1.0	-53.89	374.64	3.27	-50.62
CC1=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=NN1	REAL300020247606	1	46	-1.0	-53.93	374.69	3.29	-50.64
NS(=O)(=O)C1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247607	0	42	-1.0	-50.77	359.01	-2.44	-53.21
NS(=O)(=O)C1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247607	1	42	-1.0	-50.76	359.08	-2.43	-53.19
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247608	0	46	-1.0	-56.01	379.43	7.48	-48.53
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247608	1	46	-1.0	-55.98	379.37	7.47	-48.51
CC(=O)NC1=C(C)C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020247609	0	50	-1.0	-55.41	386.89	3.17	-52.24
CC(=O)NC1=C(C)C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020247609	1	50	-1.0	-55.43	386.94	3.18	-52.25
CS(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247610	0	42	-1.0	-51.83	349.69	1.14	-50.69
CS(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247610	1	42	-1.0	-51.83	349.74	1.16	-50.67
CC1=CC=NN1C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247611	0	47	-1.0	-53.54	374.68	4.17	-49.37
CC1=CC=NN1C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247611	1	47	-1.0	-53.56	374.74	4.19	-49.37
CC(C)(C)C1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247612	0	47	-1.0	-45.07	369.62	2.60	-42.47
CC(C)(C)C1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247612	1	47	-1.0	-45.09	369.56	2.59	-42.50
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC=C1	REAL300020247613	0	40	-1.0	-53.88	339.97	2.36	-51.52
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC=C1	REAL300020247613	1	40	-1.0	-53.87	340.03	2.37	-51.50
CC(C)N1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020247614	0	49	-1.0	-48.36	389.22	4.02	-44.34
CC(C)N1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020247614	1	49	-1.0	-48.34	389.15	4.01	-44.33
COC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247615	0	44	-1.0	-50.40	348.37	2.62	-47.78
COC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247615	1	44	-1.0	-50.42	348.44	2.63	-47.79
O=C(NC1=CC=CC(C2=NNC(=O)C=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247616	0	46	-1.0	-54.73	373.83	1.65	-53.08
O=C(NC1=CC=CC(C2=NNC(=O)C=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247616	1	46	-1.0	-54.75	373.89	1.67	-53.08
CC(C)CC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247617	0	49	-1.0	-45.68	379.20	4.04	-41.64
CC(C)CC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247617	1	49	-1.0	-45.69	379.25	4.05	-41.64
O=C(NC1=CC=CC=C1N1CCOC1=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247618	0	46	-1.0	-57.16	372.28	3.55	-53.61
O=C(NC1=CC=CC=C1N1CCOC1=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247618	1	46	-1.0	-57.19	372.35	3.55	-53.64
CC1=CNC(=O)N1C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247619	0	48	-1.0	-56.93	389.85	3.72	-53.21
CC1=CNC(=O)N1C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247619	1	48	-1.0	-56.95	389.92	3.73	-53.22
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)=NN1	REAL300020247620	0	46	-1.0	-51.42	375.49	3.26	-48.16
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)=NN1	REAL300020247620	1	46	-1.0	-51.42	375.56	3.27	-48.15
O=C(NC1=CC(N2C=CC=C2)=CC=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247621	0	45	-1.0	-49.70	364.86	5.40	-44.30
O=C(NC1=CC(N2C=CC=C2)=CC=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247621	1	45	-1.0	-49.67	364.94	5.41	-44.26
O=C(NC1=CC(F)=CC(N2CCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247622	0	49	-1.0	-44.50	382.39	3.07	-41.43
O=C(NC1=CC(F)=CC(N2CCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247622	1	49	-1.0	-44.46	382.45	3.08	-41.38
CCN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020247623	0	49	-1.0	-48.49	371.26	2.70	-45.79
CCN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020247623	1	49	-1.0	-48.50	371.35	2.70	-45.80
CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247624	0	38	-1.0	-45.20	309.43	0.61	-44.59
CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247624	1	38	-1.0	-45.23	309.49	0.61	-44.62
O=C(NC1=CN=C(C2CC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247625	0	42	-1.0	-45.26	340.23	2.12	-43.14
O=C(NC1=CN=C(C2CC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247625	1	42	-1.0	-45.26	340.30	2.12	-43.14
O=C(NC1=CC=CC(OC2=CC=NC=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247626	0	47	-1.0	-48.62	382.29	3.67	-44.95
O=C(NC1=CC=CC(OC2=CC=NC=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247626	1	47	-1.0	-48.65	382.35	3.68	-44.97
CC(C)N1N=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020247627	0	49	-1.0	-49.09	389.87	4.10	-44.99
CC(C)N1N=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020247627	1	49	-1.0	-49.12	389.78	4.11	-45.01
CCC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247628	0	43	-1.0	-46.04	342.02	2.46	-43.58
CCC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247628	1	43	-1.0	-46.07	342.07	2.47	-43.60
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1OC(F)F	REAL300020247629	0	44	-1.0	-50.53	356.80	2.87	-47.66
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1OC(F)F	REAL300020247629	1	44	-1.0	-50.50	356.86	2.89	-47.61
CC1CCN(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)CC1	REAL300020247630	0	55	-1.0	-47.70	411.34	4.49	-43.21
CC1CCN(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)CC1	REAL300020247630	1	55	-1.0	-47.70	411.41	4.50	-43.20
CN1C(=O)COC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020247631	0	46	-1.0	-48.24	364.69	1.53	-46.71
CN1C(=O)COC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020247631	1	46	-1.0	-48.24	364.75	1.54	-46.70
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247632	0	49	-1.0	-60.77	384.08	3.49	-57.28
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247632	1	49	-1.0	-60.75	384.15	3.50	-57.25
CN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247633	0	37	-1.0	-52.35	300.44	1.20	-51.15
CN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247633	1	37	-1.0	-52.31	300.38	1.17	-51.14
CN1N=C(CC(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247634	0	52	-1.0	-45.67	396.94	4.43	-41.24
CN1N=C(CC(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247634	1	52	-1.0	-45.70	396.99	4.45	-41.25
CC(C)(C)C1=NSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247635	0	43	-2.0	-104.83	357.71	1.63	-103.20
CC(C)(C)C1=NSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247635	1	43	-2.0	-104.86	357.66	1.62	-103.24
O=C(NC1=CC=C(CC(F)(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247636	0	43	-1.0	-48.19	358.82	4.41	-43.78
O=C(NC1=CC=C(CC(F)(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247636	1	43	-1.0	-48.20	358.88	4.42	-43.78
CCSCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247637	0	47	-1.0	-47.83	385.07	5.32	-42.51
CCSCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247637	1	47	-1.0	-47.85	385.13	5.34	-42.51
CC1COCCN1C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247638	0	53	-1.0	-46.60	405.15	2.00	-44.60
CC1COCCN1C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247638	1	53	-1.0	-46.61	405.21	2.01	-44.60
O=C(NC1=CC(F)=C(F)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247639	0	37	-1.0	-42.82	316.96	2.79	-40.03
O=C(NC1=CC(F)=C(F)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247639	1	37	-1.0	-42.78	317.02	2.80	-39.98
CCOC(=O)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247640	0	49	-1.0	-51.67	396.30	4.91	-46.76
CCOC(=O)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247640	1	49	-1.0	-51.63	396.35	4.93	-46.70
CC(C)SCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247641	0	50	-1.0	-47.69	403.35	5.96	-41.73
CC(C)SCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247641	1	50	-1.0	-47.70	403.40	5.98	-41.72
CC(=O)N(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247642	0	47	-1.0	-51.62	374.55	3.19	-48.43
CC(=O)N(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247642	1	47	-1.0	-51.61	374.60	3.21	-48.40
CC(C)CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247643	0	53	-1.0	-46.14	409.76	4.95	-41.19
CC(C)CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247643	1	53	-1.0	-46.13	409.81	4.95	-41.18
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247644	0	44	-1.0	-52.18	363.71	4.32	-47.86
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247644	1	44	-1.0	-52.15	363.77	4.32	-47.83
CC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247645	0	40	-1.0	-45.98	320.75	3.44	-42.54
CC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247645	1	40	-1.0	-45.97	320.82	3.44	-42.53
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1Cl	REAL300020247646	0	40	-1.0	-48.70	331.79	3.72	-44.98
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1Cl	REAL300020247646	1	40	-1.0	-48.71	331.86	3.75	-44.96
CC1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2N1C	REAL300020247647	0	46	-1.0	-54.17	366.30	3.65	-50.52
CC1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2N1C	REAL300020247647	1	46	-1.0	-54.24	366.37	3.66	-50.58
CC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247648	0	39	-1.0	-46.73	310.51	1.62	-45.11
CC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247648	1	39	-1.0	-46.76	310.58	1.61	-45.15
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020247649	0	41	-1.0	-45.52	354.12	3.73	-41.79
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020247649	1	41	-1.0	-45.52	354.18	3.75	-41.77
CCC1=NN=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)O1	REAL300020247650	0	48	-1.0	-52.73	391.91	-0.04	-52.77
CCC1=NN=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)O1	REAL300020247650	1	48	-1.0	-52.77	391.96	-0.02	-52.79
O=C(NC1=CC=CC(OC2=CC=CC=N2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247651	0	47	-1.0	-52.18	384.47	3.08	-49.10
O=C(NC1=CC=CC(OC2=CC=CC=N2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247651	1	47	-1.0	-52.23	384.41	3.05	-49.18
CCOCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247652	0	47	-1.0	-47.50	374.40	3.25	-44.25
CCOCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247652	1	47	-1.0	-47.46	374.46	3.26	-44.20
CCC1=CC=C(CC)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247653	0	49	-1.0	-47.67	379.71	5.61	-42.06
CCC1=CC=C(CC)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247653	1	49	-1.0	-47.69	379.78	5.63	-42.06
O=C(NC1=CC=C(F)C=C1OC(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247654	0	41	-1.0	-46.85	343.14	2.29	-44.56
O=C(NC1=CC=C(F)C=C1OC(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247654	1	41	-1.0	-46.89	343.21	2.30	-44.59
CS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020247655	0	43	-1.0	-51.41	362.53	0.10	-51.31
CS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020247655	1	43	-1.0	-51.40	362.60	0.12	-51.28
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC=C1N1CCOC1=O	REAL300020247656	0	49	-1.0	-55.70	389.14	4.35	-51.35
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC=C1N1CCOC1=O	REAL300020247656	1	49	-1.0	-55.67	389.21	4.36	-51.31
CN1C=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020247657	0	43	-1.0	-53.86	346.91	3.87	-49.99
CN1C=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020247657	1	43	-1.0	-53.87	346.98	3.88	-49.99
CC(C)(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247658	0	51	-1.0	-48.09	390.36	4.73	-43.36
CC(C)(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247658	1	51	-1.0	-48.04	390.42	4.74	-43.30
CC1(C)CN(C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CC=CC(Cl)=C21	REAL300020247659	0	47	-1.0	-46.30	369.92	6.16	-40.14
CC1(C)CN(C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CC=CC(Cl)=C21	REAL300020247659	1	47	-1.0	-46.30	369.97	6.19	-40.11
CC(C)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NO1	REAL300020247660	0	42	-1.0	-48.04	337.02	3.11	-44.93
CC(C)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NO1	REAL300020247660	1	42	-1.0	-47.98	337.07	3.12	-44.86
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1N1C=NN=N1	REAL300020247661	0	46	-1.0	-50.72	372.99	2.27	-48.45
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1N1C=NN=N1	REAL300020247661	1	46	-1.0	-50.77	372.93	2.26	-48.51
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020247662	0	43	-1.0	-44.15	351.86	4.07	-40.08
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020247662	1	43	-1.0	-44.18	351.92	4.09	-40.09
O=C(NC1=CC=CC(CC(F)(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247663	0	43	-1.0	-48.21	358.45	4.33	-43.88
O=C(NC1=CC=CC(CC(F)(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247663	1	43	-1.0	-48.21	358.51	4.35	-43.86
C#CCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247664	0	43	-1.0	-51.79	360.93	3.46	-48.33
C#CCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247664	1	43	-1.0	-51.85	361.00	3.46	-48.39
C#CCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247665	0	43	-1.0	-49.33	360.89	3.42	-45.91
C#CCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247665	1	43	-1.0	-49.29	360.96	3.43	-45.86
CC1=C(C)C2=NC=CC=C2C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247666	0	48	-1.0	-48.54	374.31	4.45	-44.09
CC1=C(C)C2=NC=CC=C2C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247666	1	48	-1.0	-48.56	374.38	4.46	-44.10
O=C(NC1=CC=C(F)C(Br)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247667	0	37	-1.0	-43.74	324.49	3.22	-40.52
O=C(NC1=CC=C(F)C(Br)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247667	1	37	-1.0	-43.76	324.55	3.23	-40.53
O=C(NC1=CC=CC(N2CCCNC2=O)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247668	0	50	-1.0	-53.17	394.10	2.31	-50.86
O=C(NC1=CC=CC(N2CCCNC2=O)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247668	1	50	-1.0	-53.17	394.16	2.31	-50.86
O=C(NC1=C(F)C=C(F)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247669	0	37	-1.0	-46.88	314.21	2.77	-44.11
O=C(NC1=C(F)C=C(F)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247669	1	37	-1.0	-46.90	314.28	2.79	-44.11
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247670	0	35	-2.0	-108.02	302.04	0.11	-107.91
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247670	1	35	-2.0	-108.02	302.10	0.10	-107.92
CC1=CSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247670	1	36	-1.0	-47.70	304.64	1.22	-46.48
CC1=CSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247670	1	36	-1.0	-47.67	304.70	1.23	-46.44
O=C([N-]C1=NC(C2=CC=CS2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247671	0	39	-2.0	-109.65	351.67	2.36	-107.29
O=C([N-]C1=NC(C2=CC=CS2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247671	1	39	-2.0	-109.67	351.61	2.34	-107.33
O=C(NC1=NC(C2=CC=CS2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247671	1	40	-1.0	-47.57	353.61	3.56	-44.01
O=C(NC1=NC(C2=CC=CS2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247671	1	40	-1.0	-47.61	353.56	3.55	-44.06
O=C(NC1=C(F)C=CC=C1Br)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247672	0	37	-1.0	-50.36	323.30	3.32	-47.04
O=C(NC1=C(F)C=CC=C1Br)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247672	1	37	-1.0	-50.39	323.37	3.32	-47.07
CN(C)C(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020247673	0	47	-1.0	-49.94	380.63	2.70	-47.24
CN(C)C(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020247673	1	47	-1.0	-49.92	380.71	2.72	-47.20
O=C(NC1=CC(F)=C(F)C=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247674	0	37	-1.0	-43.74	325.75	3.25	-40.49
O=C(NC1=CC(F)=C(F)C=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247674	1	37	-1.0	-43.74	325.82	3.26	-40.48
CC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247675	0	41	-1.0	-47.44	336.26	3.80	-43.64
CC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247675	1	41	-1.0	-47.43	336.32	3.82	-43.61
CC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247676	0	39	-1.0	-46.46	313.83	1.45	-45.01
CC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247676	1	39	-1.0	-46.45	313.77	1.44	-45.01
COCCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247677	0	51	-1.0	-50.16	404.01	2.64	-47.52
COCCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247677	1	51	-1.0	-50.14	404.07	2.66	-47.48
O=C(NC1=CC=C(OCC(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247678	0	44	-1.0	-50.45	362.21	3.16	-47.29
O=C(NC1=CC=C(OCC(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247678	1	44	-1.0	-50.42	362.27	3.17	-47.25
CC(=O)N1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1	REAL300020247679	0	48	-1.0	-53.77	382.17	3.05	-50.72
CC(=O)N1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1	REAL300020247679	1	48	-1.0	-53.82	382.24	3.06	-50.76
CSC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247680	0	41	-1.0	-46.44	352.68	4.01	-42.43
CSC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247680	1	41	-1.0	-46.44	352.73	4.03	-42.41
CSC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247681	0	40	-1.0	-49.81	331.74	1.77	-48.04
CSC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247681	1	40	-1.0	-49.83	331.67	1.76	-48.07
O=C(NC1=CC=C(CCC(F)(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247682	0	46	-1.0	-47.31	380.00	5.15	-42.16
O=C(NC1=CC=C(CCC(F)(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247682	1	46	-1.0	-47.32	380.05	5.17	-42.15
COCCCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247683	0	47	-1.0	-55.20	377.14	1.88	-53.32
COCCCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247683	1	47	-1.0	-55.23	377.09	1.86	-53.37
O=C(NC1=CN=CC=C1C1=CC=CC(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247684	0	46	-1.0	-52.77	376.98	4.78	-47.99
O=C(NC1=CN=CC=C1C1=CC=CC(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247684	1	46	-1.0	-52.75	376.91	4.76	-47.99
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247685	0	52	0.0	-69.48	393.71	5.31	-64.17
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247685	1	52	0.0	-69.52	393.77	5.33	-64.19
CCCCCN1N=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247686	0	52	-1.0	-45.74	407.02	4.90	-40.84
CCCCCN1N=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247686	1	52	-1.0	-45.74	407.08	4.92	-40.82
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247687	0	47	-1.0	-52.25	380.76	5.82	-46.43
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247687	1	47	-1.0	-52.27	380.82	5.84	-46.43
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247688	0	45	-1.0	-53.83	366.34	-0.68	-54.51
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247688	1	45	-1.0	-53.84	366.41	-0.68	-54.52
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1N1CCOC1=O	REAL300020247689	0	49	-1.0	-56.60	391.98	4.20	-52.40
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1N1CCOC1=O	REAL300020247689	1	49	-1.0	-56.62	392.02	4.21	-52.41
CC1=CC=C(C(F)(F)F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247690	0	43	-1.0	-46.72	354.20	4.42	-42.30
CC1=CC=C(C(F)(F)F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247690	1	43	-1.0	-46.77	354.28	4.42	-42.35
CN1C=CN=C1C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247691	0	47	-1.0	-55.90	373.03	4.53	-51.37
CN1C=CN=C1C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247691	1	47	-1.0	-55.92	373.10	4.55	-51.37
CC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CC=CN=C12	REAL300020247692	0	45	-1.0	-48.69	371.35	4.46	-44.23
CC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CC=CN=C12	REAL300020247692	1	45	-1.0	-48.66	371.28	4.45	-44.21
NC(=O)CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247693	0	48	-1.0	-52.57	386.88	-0.28	-52.85
NC(=O)CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247693	1	48	-1.0	-52.58	386.93	-0.26	-52.84
CN(C)C1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247694	0	45	-1.0	-47.03	367.68	2.96	-44.07
CN(C)C1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247694	1	45	-1.0	-47.06	367.75	2.96	-44.10
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247695	0	45	-1.0	-45.67	368.13	2.78	-42.89
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247695	1	45	-1.0	-45.70	368.19	2.80	-42.90
CN(C)C(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=N1	REAL300020247696	0	46	-1.0	-53.13	366.98	1.81	-51.32
CN(C)C(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=N1	REAL300020247696	1	46	-1.0	-53.13	366.92	1.79	-51.34
CON(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247697	0	48	-1.0	-48.41	386.87	2.78	-45.63
CON(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247697	1	48	-1.0	-48.39	386.94	2.81	-45.58
O=C(NC1=CC=NC(OC2=CC=CC=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247698	0	47	-1.0	-48.96	384.19	3.09	-45.87
O=C(NC1=CC=NC(OC2=CC=CC=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247698	1	47	-1.0	-48.95	384.12	3.07	-45.88
CN1C=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C1=O	REAL300020247699	0	40	-1.0	-62.75	324.38	2.37	-60.38
CN1C=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C1=O	REAL300020247699	1	40	-1.0	-62.75	324.45	2.38	-60.37
O=C(NC1=CC=C2CCC(=O)NC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247700	0	45	-1.0	-50.45	357.33	1.74	-48.71
O=C(NC1=CC=C2CCC(=O)NC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247700	1	45	-1.0	-50.46	357.38	1.76	-48.70
O=C(NC1=CN(C2=CC=CC=N2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247701	0	43	-1.0	-50.37	353.77	3.00	-47.37
O=C(NC1=CN(C2=CC=CC=N2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247701	1	43	-1.0	-50.40	353.71	2.97	-47.43
O=C(NC1=CN(C2=NC=CC=N2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247702	0	42	-1.0	-53.48	349.34	3.40	-50.08
O=C(NC1=CN(C2=NC=CC=N2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247702	1	42	-1.0	-53.49	349.28	3.40	-50.09
N#CC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247703	0	38	-1.0	-50.04	323.76	3.00	-47.04
N#CC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247703	1	38	-1.0	-50.06	323.83	3.00	-47.06
CCN1N=NN=C1C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247704	0	48	-1.0	-55.17	383.02	2.76	-52.41
CCN1N=NN=C1C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247704	1	48	-1.0	-55.20	383.09	2.77	-52.43
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020247705	0	43	-1.0	-47.96	358.19	3.24	-44.72
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020247705	1	43	-1.0	-47.98	358.24	3.25	-44.73
COCCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247706	0	44	-1.0	-51.50	355.64	1.10	-50.40
COCCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247706	1	44	-1.0	-51.51	355.59	1.08	-50.43
CN(C)C(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247707	0	47	-1.0	-58.74	377.78	0.73	-58.01
CN(C)C(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247707	1	47	-1.0	-58.70	377.72	0.74	-57.96
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C(=O)N(C)C	REAL300020247708	0	50	-1.0	-50.01	392.82	3.21	-46.80
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C(=O)N(C)C	REAL300020247708	1	50	-1.0	-49.99	392.88	3.22	-46.77
CN1CCOC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020247709	0	47	-1.0	-47.76	362.63	1.12	-46.64
CN1CCOC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020247709	1	47	-1.0	-47.71	362.69	1.12	-46.59
O=C(NC1=CC=C2CCCC(=O)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247710	0	46	-1.0	-54.52	361.63	4.22	-50.30
O=C(NC1=CC=C2CCCC(=O)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247710	1	46	-1.0	-54.55	361.69	4.24	-50.31
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247711	0	46	-1.0	-48.14	373.23	1.92	-46.22
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247711	1	46	-1.0	-48.17	373.30	1.94	-46.23
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247712	0	48	-1.0	-47.75	381.66	4.30	-43.45
O=C(NC1=CC=C(OC2CCC2)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247712	1	48	-1.0	-47.80	381.72	4.32	-43.48
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020247713	0	46	-1.0	-47.94	368.44	3.72	-44.22
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020247713	1	46	-1.0	-48.01	368.51	3.72	-44.29
COC(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247714	0	46	-1.0	-51.57	372.20	4.19	-47.38
COC(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247714	1	46	-1.0	-51.55	372.27	4.21	-47.34
CC(C)(C)OCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247715	0	53	-1.0	-47.34	408.70	4.38	-42.96
CC(C)(C)OCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247715	1	53	-1.0	-47.31	408.76	4.40	-42.91
CC1=CC=CC2=C1N(C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)CC2	REAL300020247716	0	44	-1.0	-48.29	332.15	5.23	-43.06
CC1=CC=CC2=C1N(C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)CC2	REAL300020247716	1	44	-1.0	-48.27	332.21	5.24	-43.03
COC1=NC=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247717	0	43	-1.0	-49.60	345.96	-0.01	-49.61
COC1=NC=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247717	1	43	-1.0	-49.65	345.88	-0.01	-49.66
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL300020247718	0	43	-1.0	-45.73	349.87	4.26	-41.47
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL300020247718	1	43	-1.0	-45.76	349.94	4.26	-41.50
CN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1=O	REAL300020247719	0	48	-1.0	-57.49	376.96	3.09	-54.40
CN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1=O	REAL300020247719	1	48	-1.0	-57.56	377.02	3.10	-54.46
COC1=C(F)C=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247720	0	41	-1.0	-44.83	343.58	2.18	-42.65
COC1=C(F)C=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247720	1	41	-1.0	-44.87	343.65	2.19	-42.68
CN1N=C(C2CCCCC2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247721	0	53	-1.0	-45.70	402.22	4.85	-40.85
CN1N=C(C2CCCCC2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247721	1	53	-1.0	-45.72	402.28	4.86	-40.86
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020247722	0	42	-1.0	-46.61	333.47	2.16	-44.45
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020247722	1	42	-1.0	-46.59	333.54	2.17	-44.42
COC(=O)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247723	0	46	-1.0	-51.81	374.44	4.00	-47.81
COC(=O)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247723	1	46	-1.0	-51.81	374.49	4.01	-47.80
CC1=CN(C)C(=O)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247724	0	43	-1.0	-60.76	346.02	2.78	-57.98
CC1=CN(C)C(=O)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247724	1	43	-1.0	-60.72	346.09	2.78	-57.94
CN1N=C(C2CCC2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247725	0	47	-1.0	-46.16	365.99	3.66	-42.50
CN1N=C(C2CCC2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247725	1	47	-1.0	-46.17	366.05	3.68	-42.49
O=C(NC1=CC=C(Br)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247726	0	36	-1.0	-44.63	314.79	1.28	-43.35
O=C(NC1=CC=C(Br)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247726	1	36	-1.0	-44.61	314.72	1.27	-43.34
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN=C1Cl	REAL300020247727	0	39	-1.0	-44.64	328.04	1.83	-42.81
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN=C1Cl	REAL300020247727	1	39	-1.0	-44.62	327.98	1.82	-42.80
O=C(NC1=CC(F)=CC(Cl)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247728	0	37	-1.0	-43.83	321.54	3.12	-40.71
O=C(NC1=CC(F)=CC(Cl)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247728	1	37	-1.0	-43.82	321.61	3.14	-40.68
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C1=NC=CO1	REAL300020247729	0	46	-1.0	-50.31	369.43	2.72	-47.59
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C1=NC=CO1	REAL300020247729	1	46	-1.0	-50.28	369.50	2.73	-47.55
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247730	0	37	-1.0	-49.05	300.62	0.25	-48.80
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247730	1	37	-1.0	-49.09	300.56	0.25	-48.84
O=C(NC1=CN(CC2CCCO2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247731	0	48	-1.0	-51.06	378.97	1.36	-49.70
O=C(NC1=CN(CC2CCCO2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247731	1	48	-1.0	-51.05	378.91	1.36	-49.69
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247732	0	47	-1.0	-49.56	382.06	4.12	-45.44
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247732	1	47	-1.0	-49.57	382.00	4.11	-45.46
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247733	0	38	-2.0	-105.08	323.72	0.02	-105.06
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247733	1	38	-2.0	-105.07	323.77	0.04	-105.03
CC1=NC(C)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247733	1	39	-1.0	-46.44	324.41	1.04	-45.40
CC1=NC(C)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247733	1	39	-1.0	-46.43	324.48	1.04	-45.39
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247734	0	44	-1.0	-60.35	362.94	0.40	-59.95
O=C(NC1=CC=C2CCS(=O)(=O)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247734	1	44	-1.0	-60.32	363.01	0.42	-59.90
CC1=COC(C2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2C)=N1	REAL300020247735	0	49	-1.0	-53.11	391.48	2.43	-50.68
CC1=COC(C2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2C)=N1	REAL300020247735	1	49	-1.0	-53.11	391.54	2.44	-50.67
CC(C)CCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247736	0	49	-1.0	-52.01	382.53	4.09	-47.92
CC(C)CCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247736	1	49	-1.0	-51.96	382.48	4.08	-47.88
O=C(NC1=CC=C(F)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247737	0	36	-1.0	-44.98	299.76	0.72	-44.26
O=C(NC1=CC=C(F)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247737	1	36	-1.0	-44.99	299.68	0.70	-44.29
CN(C)C1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020247738	0	47	-1.0	-50.79	377.87	1.11	-49.68
CN(C)C1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020247738	1	47	-1.0	-50.76	377.80	1.10	-49.66
COC1=CC(OC)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020247739	0	45	-1.0	-50.23	362.58	1.28	-48.95
COC1=CC(OC)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020247739	1	45	-1.0	-50.24	362.65	1.29	-48.95
COC1=CC(OC)=C(OC)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247740	0	49	-1.0	-51.31	385.58	1.14	-50.17
COC1=CC(OC)=C(OC)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247740	1	49	-1.0	-51.35	385.65	1.13	-50.22
COC1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247741	0	41	-1.0	-50.40	333.48	1.91	-48.49
COC1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247741	1	41	-1.0	-50.39	333.55	1.91	-48.48
N#CC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247742	0	38	-1.0	-48.12	333.90	3.53	-44.59
N#CC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247742	1	38	-1.0	-48.08	333.98	3.52	-44.56
O=C(NC1=CC=CC2=CC=NC=C21)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247743	0	42	-1.0	-50.61	336.66	3.11	-47.50
O=C(NC1=CC=CC2=CC=NC=C21)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247743	1	42	-1.0	-50.62	336.74	3.13	-47.49
CC1=NN(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020247744	0	49	-1.0	-58.24	391.58	5.16	-53.08
CC1=NN(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020247744	1	49	-1.0	-58.22	391.64	5.17	-53.05
O=C(NC1=CC=CC=C1OC1CCOC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247745	0	49	-1.0	-53.24	382.57	2.25	-50.99
O=C(NC1=CC=CC=C1OC1CCOC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247745	1	49	-1.0	-53.23	382.64	2.26	-50.97
CC(C1=CC=CC=C1)N1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247746	0	50	-1.0	-52.16	395.98	5.33	-46.83
CC(C1=CC=CC=C1)N1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247746	1	50	-1.0	-52.18	395.92	5.31	-46.87
COC(=O)C1=CSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247747	0	40	-1.0	-49.22	344.56	2.19	-47.03
COC(=O)C1=CSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247747	1	40	-1.0	-49.18	344.61	2.21	-46.97
COCC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247748	0	44	-1.0	-47.05	364.43	2.81	-44.24
COCC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247748	1	44	-1.0	-47.09	364.50	2.83	-44.26
O=C(NC1=CC=CC(OCCF)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247749	0	44	-1.0	-51.44	355.42	2.92	-48.52
O=C(NC1=CC=CC(OCCF)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247749	1	44	-1.0	-51.45	355.47	2.94	-48.51
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247750	0	39	-1.0	-46.93	315.27	1.42	-45.51
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247750	1	39	-1.0	-46.93	315.35	1.42	-45.51
CC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247751	0	40	-1.0	-46.21	325.78	3.35	-42.86
CC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247751	1	40	-1.0	-46.22	325.84	3.37	-42.85
CC1=C(C#N)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247752	0	41	-1.0	-47.28	335.31	3.57	-43.71
CC1=C(C#N)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247752	1	41	-1.0	-47.31	335.39	3.59	-43.72
CC1=COC(C2=CC=C(C)C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020247753	0	49	-1.0	-50.80	394.27	2.45	-48.35
CC1=COC(C2=CC=C(C)C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020247753	1	49	-1.0	-50.78	394.20	2.43	-48.35
O=C(NC1=CC(F)=CC=C1OC(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247754	0	41	-1.0	-47.36	343.05	2.26	-45.10
O=C(NC1=CC(F)=CC=C1OC(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247754	1	41	-1.0	-47.36	343.12	2.27	-45.09
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247755	0	44	-1.0	-47.23	359.55	3.82	-43.41
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247755	1	44	-1.0	-47.22	359.50	3.80	-43.42
O=C(NC1=CC(F)=CC=C1Br)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247756	0	37	-1.0	-46.34	323.61	3.35	-42.99
O=C(NC1=CC(F)=CC=C1Br)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247756	1	37	-1.0	-46.38	323.68	3.36	-43.02
COC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247757	0	41	-1.0	-46.45	334.30	1.90	-44.55
COC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247757	1	41	-1.0	-46.42	334.37	1.91	-44.51
O=C(NC1=CC=CC=C1OCC(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247758	0	44	-1.0	-57.94	361.83	3.20	-54.74
O=C(NC1=CC=CC=C1OCC(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247758	1	44	-1.0	-57.98	361.90	3.21	-54.77
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020247759	0	38	-1.0	-46.09	333.29	3.49	-42.60
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020247759	1	38	-1.0	-46.06	333.34	3.49	-42.57
COC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C(N)=O	REAL300020247760	0	44	-1.0	-49.03	357.14	-2.61	-51.64
COC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020247760	1	44	-1.0	-49.05	357.08	-2.64	-51.69
CCOC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247761	0	44	-1.0	-47.47	365.55	3.40	-44.07
CCOC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247761	1	44	-1.0	-47.44	365.62	3.41	-44.03
CC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247762	0	40	-1.0	-48.45	334.47	3.80	-44.65
CC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247762	1	40	-1.0	-48.45	334.54	3.82	-44.63
CCCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247763	0	47	-1.0	-47.21	376.73	3.74	-43.47
CCCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247763	1	47	-1.0	-47.21	376.80	3.76	-43.45
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247764	0	46	-1.0	-47.56	380.01	5.15	-42.41
O=C(NC1=CC=CC(CCC(F)(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247764	1	46	-1.0	-47.57	380.06	5.17	-42.40
O=C(NC1=CC=CC(N2C=CN=N2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247765	0	43	-1.0	-55.93	350.20	2.53	-53.40
O=C(NC1=CC=CC(N2C=CN=N2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247765	1	43	-1.0	-55.92	350.14	2.55	-53.37
CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247766	0	40	-1.0	-48.81	321.71	1.22	-47.59
CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247766	1	40	-1.0	-48.81	321.65	1.22	-47.59
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247767	0	46	-1.0	-55.34	376.49	3.24	-52.10
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247767	1	46	-1.0	-55.35	376.54	3.25	-52.10
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247768	0	46	-1.0	-54.85	376.66	3.25	-51.60
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247768	1	46	-1.0	-54.85	376.71	3.27	-51.58
CN(C)C(=O)CN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247769	0	47	-1.0	-65.02	377.16	1.68	-63.34
CN(C)C(=O)CN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247769	1	47	-1.0	-65.02	377.10	1.67	-63.35
N#CCCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247770	0	41	-1.0	-53.96	342.82	2.55	-51.41
N#CCCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247770	1	41	-1.0	-53.93	342.77	2.53	-51.40
CS(=O)(=O)CCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247771	0	46	-1.0	-58.26	385.61	-0.42	-58.68
CS(=O)(=O)CCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247771	1	46	-1.0	-58.27	385.55	-0.43	-58.70
O=C(NC1=NN(CC(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247772	0	40	-1.0	-51.73	334.96	2.34	-49.39
O=C(NC1=NN(CC(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247772	1	40	-1.0	-51.72	334.90	2.32	-49.40
O=C(NC1=CN(C2=CC=CC=C2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247773	0	44	-1.0	-48.86	356.68	3.66	-45.20
O=C(NC1=CN(C2=CC=CC=C2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247773	1	44	-1.0	-48.84	356.62	3.66	-45.18
O=C(NC1=CN(CC(F)F)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247774	0	40	-1.0	-50.07	333.56	1.55	-48.52
O=C(NC1=CN(CC(F)F)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247774	1	40	-1.0	-50.09	333.49	1.54	-48.55
O=C(NC1=CN(CC(F)(F)F)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247775	0	40	-1.0	-50.55	339.59	1.72	-48.83
O=C(NC1=CN(CC(F)(F)F)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247775	1	40	-1.0	-50.53	339.52	1.72	-48.81
CCCN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247776	0	43	-1.0	-48.42	343.21	1.98	-46.44
CCCN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247776	1	43	-1.0	-48.42	343.15	1.97	-46.45
O=C(NC1=CN(CC2CC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247777	0	44	-1.0	-48.75	353.47	2.68	-46.07
O=C(NC1=CN(CC2CC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247777	1	44	-1.0	-48.75	353.41	2.69	-46.06
CC(C)CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247778	0	46	-1.0	-48.54	363.48	2.64	-45.90
CC(C)CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247778	1	46	-1.0	-48.50	363.42	2.64	-45.86
CC1(C)CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020247779	0	48	-1.0	-47.38	375.85	3.78	-43.60
CC1(C)CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020247779	1	48	-1.0	-47.38	375.91	3.79	-43.59
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020247780	0	43	-1.0	-45.28	344.05	0.04	-45.24
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020247780	1	43	-1.0	-45.30	344.12	0.04	-45.26
O=C(NC1=CSC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247781	0	34	-1.0	-46.11	287.93	1.53	-44.58
O=C(NC1=CSC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247781	1	34	-1.0	-46.16	288.00	1.53	-44.63
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=NN1C	REAL300020247782	0	40	-1.0	-48.88	318.42	0.72	-48.16
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=NN1C	REAL300020247782	1	40	-1.0	-48.82	318.49	0.73	-48.09
N#CCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247783	0	42	-1.0	-54.83	354.59	2.72	-52.11
N#CCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247783	1	42	-1.0	-54.81	354.66	2.73	-52.08
COC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020247784	0	41	-1.0	-47.41	339.69	1.97	-45.44
COC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020247784	1	41	-1.0	-47.46	339.76	1.98	-45.48
CN(C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)C1CCCC1	REAL300020247785	0	55	-1.0	-49.13	412.33	5.09	-44.04
CN(C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)C1CCCC1	REAL300020247785	1	55	-1.0	-49.16	412.40	5.10	-44.06
CC1=NC(CC(C)C)=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247786	0	47	-2.0	-105.29	381.87	2.32	-102.97
CC1=NC(CC(C)C)=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247786	1	47	-2.0	-105.33	381.93	2.34	-102.99
CC1=NC(CC(C)C)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247786	1	48	-1.0	-46.10	380.59	3.32	-42.78
CC1=NC(CC(C)C)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247786	1	48	-1.0	-46.13	380.65	3.32	-42.81
CC1=COC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020247787	0	46	-1.0	-50.51	375.61	1.67	-48.84
CC1=COC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020247787	1	46	-1.0	-50.52	375.55	1.65	-48.87
O=C(NC1=CC=CC=C1CCC(F)(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247788	0	46	-1.0	-49.81	376.52	5.37	-44.44
O=C(NC1=CC=CC=C1CCC(F)(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247788	1	46	-1.0	-49.81	376.59	5.38	-44.43
CN1C=CN=C1C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247789	0	42	-2.0	-106.65	360.01	2.14	-104.51
CN1C=CN=C1C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247789	1	42	-2.0	-106.66	360.07	2.15	-104.51
CN1C=CN=C1C1=CSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247789	1	43	-1.0	-47.83	362.62	3.24	-44.59
CN1C=CN=C1C1=CSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247789	1	43	-1.0	-47.85	362.68	3.25	-44.60
CC(C)SC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247790	0	47	-1.0	-51.31	373.95	5.03	-46.28
CC(C)SC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247790	1	47	-1.0	-51.30	374.00	5.06	-46.24
CCCCN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020247791	0	55	-1.0	-48.11	421.11	4.73	-43.38
CCCCN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020247791	1	55	-1.0	-48.15	421.20	4.72	-43.43
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247792	0	47	-1.0	-53.53	381.86	5.05	-48.48
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247792	1	47	-1.0	-53.55	381.80	5.03	-48.52
C[NH+](C)CCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247793	0	49	0.0	-75.38	379.92	3.33	-72.05
C[NH+](C)CCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247793	1	49	0.0	-75.43	379.87	3.32	-72.11
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247794	0	49	-1.0	-53.41	398.20	4.05	-49.36
O=C(NC1=NN(CCC2=CC=NC=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247794	1	49	-1.0	-53.47	398.26	4.07	-49.40
CCN1N=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C1CC1	REAL300020247795	0	47	-1.0	-52.00	372.56	4.08	-47.92
CCN1N=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C1CC1	REAL300020247795	1	47	-1.0	-52.03	372.61	4.08	-47.95
O=C(C(=O)N1CCCCC1C1=N[N-]N=N1)N1CCC2=C(Cl)C=CC=C21	REAL300020247796	0	41	-1.0	-46.00	335.75	5.27	-40.73
O=C(C(=O)N1CCCCC1C1=NN=N[N-]1)N1CCC2=C(Cl)C=CC=C21	REAL300020247796	1	41	-1.0	-46.03	335.81	5.28	-40.75
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247797	0	43	-1.0	-62.17	363.13	3.44	-58.73
O=C(NC1=CC=CN(CC(F)(F)F)C1=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247797	1	43	-1.0	-62.15	363.20	3.45	-58.70
CC1=CC(Cl)=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247798	0	39	-1.0	-44.59	328.86	1.94	-42.65
CC1=CC(Cl)=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247798	1	39	-1.0	-44.59	328.93	1.95	-42.64
O=C(NC1=CC=C2COCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247799	0	42	-1.0	-46.85	334.42	1.87	-44.98
O=C(NC1=CC=C2COCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247799	1	42	-1.0	-46.90	334.49	1.86	-45.04
O=C([N-]C1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247800	0	42	-2.0	-108.85	360.79	2.40	-106.45
O=C([N-]C1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247800	1	42	-2.0	-108.83	360.74	2.38	-106.45
O=C(NC1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247800	1	43	-1.0	-47.32	363.27	3.50	-43.82
O=C(NC1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247800	1	43	-1.0	-47.35	363.22	3.48	-43.87
CN1C(=O)OC2=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020247801	0	43	-1.0	-58.18	352.22	2.45	-55.73
CN1C(=O)OC2=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020247801	1	43	-1.0	-58.15	352.29	2.45	-55.70
O=C(NC1=CC=C2CCNC(=O)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247802	0	45	-1.0	-56.57	357.09	1.01	-55.56
O=C(NC1=CC=C2CCNC(=O)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247802	1	45	-1.0	-56.59	357.15	1.03	-55.56
CCC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=NO1	REAL300020247803	0	42	-1.0	-44.92	333.33	1.98	-42.94
CCC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=NO1	REAL300020247803	1	42	-1.0	-44.95	333.41	2.00	-42.95
CC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020247804	0	45	-1.0	-48.76	355.19	3.80	-44.96
CC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020247804	1	45	-1.0	-48.76	355.26	3.82	-44.94
O=C(NC1=CC=C(C2=NC=CO2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247805	0	43	-1.0	-48.93	353.72	1.12	-47.81
O=C(NC1=CC=C(C2=NC=CO2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247805	1	43	-1.0	-48.94	353.65	1.11	-47.83
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247806	0	50	-1.0	-47.75	384.59	3.77	-43.98
CC(C)(C)OC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247806	1	50	-1.0	-47.78	384.66	3.77	-44.01
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247807	0	47	-1.0	-46.39	370.69	3.64	-42.75
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247807	1	47	-1.0	-46.39	370.75	3.66	-42.73
COC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247808	0	41	-1.0	-49.42	333.30	1.97	-47.45
COC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247808	1	41	-1.0	-49.42	333.37	1.98	-47.44
COC1=NC=NC(N(C)C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247809	0	47	-1.0	-47.86	368.41	1.41	-46.45
COC1=NC=NC(N(C)C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247809	1	47	-1.0	-47.87	368.34	1.39	-46.48
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N(CC2CC2)N=C1	REAL300020247810	0	47	-1.0	-45.89	373.97	4.12	-41.77
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N(CC2CC2)N=C1	REAL300020247810	1	47	-1.0	-45.88	373.92	4.11	-41.77
O=C(NC1=CC=NN1CC1=CC=CC=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247811	0	47	-1.0	-51.77	379.67	5.29	-46.48
O=C(NC1=CC=NN1CC1=CC=CC=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247811	1	47	-1.0	-51.74	379.61	5.29	-46.45
O=C(NC1=CC=CC(CC[NH+]2CCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247812	0	56	0.0	-70.29	423.55	6.42	-63.87
O=C(NC1=CC=CC(CC[NH+]2CCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247812	1	56	0.0	-70.33	423.61	6.44	-63.89
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1S(C)(=O)=O	REAL300020247813	0	46	-1.0	-53.28	369.65	0.70	-52.58
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1S(C)(=O)=O	REAL300020247813	1	46	-1.0	-53.26	369.71	0.72	-52.54
CCC1=NOC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247814	0	42	-1.0	-45.50	329.86	2.02	-43.48
CCC1=NOC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247814	1	42	-1.0	-45.52	329.93	2.03	-43.49
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=NN1CC(C)C	REAL300020247815	0	49	-1.0	-48.32	381.18	3.20	-45.12
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=NN1CC(C)C	REAL300020247815	1	49	-1.0	-48.26	381.24	3.21	-45.05
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247816	0	43	-1.0	-56.03	358.77	4.00	-52.03
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247816	1	43	-1.0	-56.03	358.71	3.98	-52.05
O=C(NC1=CC=CN=C1OCC(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247817	0	43	-1.0	-55.79	359.37	0.58	-55.21
O=C(NC1=CC=CN=C1OCC(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247817	1	43	-1.0	-55.76	359.30	0.56	-55.20
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020247818	0	46	-1.0	-46.81	355.71	4.47	-42.34
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020247818	1	46	-1.0	-46.86	355.77	4.49	-42.37
CCOC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N(C)N=C1	REAL300020247819	0	46	-1.0	-51.84	377.04	2.77	-49.07
CCOC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N(C)N=C1	REAL300020247819	1	46	-1.0	-51.83	376.97	2.76	-49.07
CC1=NN(CC2=CC=CC=C2)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247820	0	50	-1.0	-47.13	400.84	5.61	-41.52
CC1=NN(CC2=CC=CC=C2)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247820	1	50	-1.0	-47.12	400.90	5.62	-41.50
CC1=CC=CC(CN2N=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247821	0	50	-1.0	-47.10	400.48	5.73	-41.37
CC1=CC=CC(CN2N=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247821	1	50	-1.0	-47.10	400.42	5.72	-41.38
COC1=CC(NC(C)=O)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247822	0	48	-1.0	-56.00	382.42	0.77	-55.23
COC1=CC(NC(C)=O)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247822	1	48	-1.0	-56.03	382.49	0.78	-55.25
CC1=CN(C2=CC=C(C)C=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=C1	REAL300020247823	0	50	-1.0	-57.44	394.18	5.67	-51.77
CC1=CN(C2=CC=C(C)C=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=C1	REAL300020247823	1	50	-1.0	-57.45	394.10	5.66	-51.79
CCC1=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC=N1	REAL300020247824	0	38	-2.0	-102.99	323.31	0.08	-102.91
CCC1=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC=N1	REAL300020247824	1	38	-2.0	-102.90	323.37	0.07	-102.83
CCC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC=N1	REAL300020247824	1	39	-1.0	-45.82	324.25	1.10	-44.72
CCC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC=N1	REAL300020247824	1	39	-1.0	-45.86	324.31	1.11	-44.75
CCC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247825	0	45	-1.0	-54.22	360.60	3.83	-50.39
CCC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247825	1	45	-1.0	-54.23	360.65	3.84	-50.39
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C#N	REAL300020247826	0	48	-1.0	-48.97	389.17	4.01	-44.96
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C#N	REAL300020247826	1	48	-1.0	-48.95	389.23	4.03	-44.92
O=C(NC1=CC=CN=C1C1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247827	0	46	-1.0	-48.69	368.30	4.87	-43.82
O=C(NC1=CC=CN=C1C1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247827	1	46	-1.0	-48.72	368.24	4.87	-43.85
CC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020247828	0	43	-1.0	-46.40	341.70	2.05	-44.35
CC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020247828	1	43	-1.0	-46.39	341.77	2.06	-44.33
CC1=NN=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)N1C	REAL300020247829	0	49	-1.0	-59.79	389.26	5.01	-54.78
CC1=NN=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)N1C	REAL300020247829	1	49	-1.0	-59.80	389.33	5.03	-54.77
CCC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247830	0	41	-1.0	-44.89	330.44	1.16	-43.73
CCC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247830	1	41	-1.0	-44.96	330.50	1.17	-43.79
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020247831	0	38	-1.0	-46.74	324.32	2.99	-43.75
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020247831	1	38	-1.0	-46.79	324.37	2.99	-43.80
O=C(NC1=CC=C(SC(F)F)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247832	0	40	-1.0	-48.16	348.53	2.51	-45.65
O=C(NC1=CC=C(SC(F)F)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247832	1	40	-1.0	-48.21	348.45	2.51	-45.70
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020247833	0	47	-1.0	-49.12	375.00	4.28	-44.84
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020247833	1	47	-1.0	-49.17	375.05	4.30	-44.87
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1F	REAL300020247834	0	47	-1.0	-52.66	382.11	4.30	-48.36
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1F	REAL300020247834	1	47	-1.0	-52.71	382.20	4.31	-48.40
O=C(NC1=CC=NN1CC1CC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247835	0	44	-1.0	-45.28	352.37	3.60	-41.68
O=C(NC1=CC=NN1CC1CC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247835	1	44	-1.0	-45.29	352.32	3.59	-41.70
O=C(NC1=NN(CC(F)(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247836	0	40	-1.0	-55.45	339.84	2.55	-52.90
O=C(NC1=NN(CC(F)(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247836	1	40	-1.0	-55.51	339.79	2.54	-52.97
CCN1N=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020247837	0	46	-1.0	-48.82	362.15	2.07	-46.75
CCN1N=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020247837	1	46	-1.0	-48.83	362.23	2.08	-46.75
CC1=NN(CC2=CC=CC=N2)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247838	0	49	-1.0	-47.92	397.09	3.78	-44.14
CC1=NN(CC2=CC=CC=N2)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247838	1	49	-1.0	-47.94	397.15	3.80	-44.14
CC1=CC=CC=C1C1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247839	0	50	-1.0	-47.68	393.94	5.61	-42.07
CC1=CC=CC=C1C1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247839	1	50	-1.0	-47.73	394.01	5.61	-42.12
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247840	0	43	-1.0	-49.27	358.33	2.62	-46.65
O=C(NC1=CC=C2C(=C1)C=NN2C(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247840	1	43	-1.0	-49.25	358.24	2.61	-46.64
CCCCN1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020247841	0	49	-1.0	-48.35	383.45	3.16	-45.19
CCCCN1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020247841	1	49	-1.0	-48.41	383.50	3.18	-45.23
CC1=CON=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247842	0	36	-1.0	-50.44	297.31	1.74	-48.70
CC1=CON=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247842	1	36	-1.0	-50.40	297.25	1.71	-48.69
CC1=NN(C2=CC=CC=C2)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247843	0	47	-1.0	-48.65	375.83	5.32	-43.33
CC1=NN(C2=CC=CC=C2)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247843	1	47	-1.0	-48.66	375.89	5.32	-43.34
CC1=NN(CCC#N)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247844	0	44	-1.0	-48.84	363.38	3.08	-45.76
CC1=NN(CCC#N)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247844	1	44	-1.0	-48.88	363.44	3.09	-45.79
CCN1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247845	0	40	-1.0	-45.57	320.70	2.03	-43.54
CCN1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247845	1	40	-1.0	-45.56	320.64	2.02	-43.54
CCC(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247846	0	46	-1.0	-45.42	359.00	3.39	-42.03
CCC(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247846	1	46	-1.0	-45.41	358.94	3.38	-42.03
O=C(NC1=CC=NN1CC1=CC=CO1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247847	0	44	-1.0	-48.49	361.36	3.16	-45.33
O=C(NC1=CC=NN1CC1=CC=CO1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247847	1	44	-1.0	-48.44	361.31	3.15	-45.29
O=C(NC1=CC=NN1CC1=CC=CC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247848	0	46	-1.0	-50.98	375.22	3.23	-47.75
O=C(NC1=CC=NN1CC1=CC=CC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247848	1	46	-1.0	-50.93	375.28	3.23	-47.70
O=C(NC1=CC=NN1CC1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247849	0	47	-1.0	-47.00	379.02	5.06	-41.94
O=C(NC1=CC=NN1CC1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247849	1	47	-1.0	-46.96	378.96	5.05	-41.91
CC(C)CN1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247850	0	46	-1.0	-45.16	360.51	3.59	-41.57
CC(C)CN1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247850	1	46	-1.0	-45.13	360.45	3.58	-41.55
O=C(NC1=CC=NN1CC1=CSC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247851	0	44	-1.0	-45.91	370.10	3.99	-41.92
O=C(NC1=CC=NN1CC1=CSC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247851	1	44	-1.0	-45.97	370.04	3.98	-41.99
CC(C)CCN1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247852	0	49	-1.0	-45.33	381.26	4.08	-41.25
CC(C)CCN1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247852	1	49	-1.0	-45.33	381.20	4.08	-41.25
CN1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247853	0	37	-1.0	-45.86	298.89	1.15	-44.71
CN1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247853	1	37	-1.0	-45.82	298.84	1.14	-44.68
O=C(NC1=CC=NN1CCC1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247854	0	50	-1.0	-46.62	402.10	5.81	-40.81
O=C(NC1=CC=NN1CCC1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247854	1	50	-1.0	-46.62	402.05	5.81	-40.81
CC(C)CC(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247855	0	52	-1.0	-45.45	397.65	4.66	-40.79
CC(C)CC(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247855	1	52	-1.0	-45.48	397.59	4.65	-40.83
CCCCN1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247856	0	46	-1.0	-45.36	363.69	3.57	-41.79
CCCCN1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247856	1	46	-1.0	-45.34	363.63	3.56	-41.78
CNC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247857	0	44	-1.0	-58.81	359.60	-1.15	-59.96
CNC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247857	1	44	-1.0	-58.79	359.54	-1.16	-59.95
CC(C)(C)N1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247858	0	46	-1.0	-48.46	360.58	2.25	-46.21
CC(C)(C)N1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247858	1	46	-1.0	-48.48	360.52	2.25	-46.23
O=C(NC1=CC=NN1CC1CCOC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247859	0	48	-1.0	-47.84	370.75	2.15	-45.69
O=C(NC1=CC=NN1CC1CCOC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247859	1	48	-1.0	-47.82	370.69	2.14	-45.68
N#CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020247860	0	38	-1.0	-55.14	321.49	0.85	-54.29
N#CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020247860	1	38	-1.0	-55.11	321.43	0.85	-54.26
O=C(NC1=CN(CC2=CC=NC=C2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247861	0	46	-1.0	-51.21	376.88	2.34	-48.87
O=C(NC1=CN(CC2=CC=NC=C2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247861	1	46	-1.0	-51.18	376.93	2.34	-48.84
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247862	0	46	-1.0	-52.63	376.66	2.32	-50.31
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247862	1	46	-1.0	-52.63	376.72	2.32	-50.31
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247863	0	46	-1.0	-51.39	376.83	2.33	-49.06
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247863	1	46	-1.0	-51.39	376.88	2.33	-49.06
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247864	0	46	-1.0	-55.81	376.69	3.26	-52.55
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247864	1	46	-1.0	-55.77	376.75	3.28	-52.49
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1C	REAL300020247865	0	40	-1.0	-52.54	319.89	1.70	-50.84
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1C	REAL300020247865	1	40	-1.0	-52.57	319.95	1.70	-50.87
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247866	0	48	-1.0	-51.06	377.82	1.42	-49.64
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247866	1	48	-1.0	-51.08	377.87	1.43	-49.65
CC1=CSC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247867	0	37	-1.0	-46.00	305.90	2.22	-43.78
CC1=CSC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247867	1	37	-1.0	-45.99	305.97	2.23	-43.76
CC1=NC=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247868	0	35	-2.0	-104.92	302.49	-0.68	-105.60
CC1=NC=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247868	1	35	-2.0	-104.88	302.55	-0.66	-105.54
CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247868	1	36	-1.0	-46.28	304.98	0.42	-45.86
CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247868	1	36	-1.0	-46.31	305.03	0.44	-45.87
CC1=NN(C)C(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247869	0	43	-1.0	-49.06	339.42	1.17	-47.89
CC1=NN(C)C(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247869	1	43	-1.0	-49.06	339.51	1.18	-47.88
O=C(CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1)NC1CC1	REAL300020247870	0	48	-1.0	-58.09	391.21	0.55	-57.54
O=C(CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1)NC1CC1	REAL300020247870	1	48	-1.0	-58.04	391.14	0.56	-57.48
COC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=NN1C	REAL300020247871	0	44	-1.0	-49.15	353.58	0.84	-48.31
COC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=NN1C	REAL300020247871	1	44	-1.0	-49.13	353.64	0.84	-48.29
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247872	0	44	-1.0	-52.05	361.08	3.81	-48.24
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247872	1	44	-1.0	-52.06	361.02	3.80	-48.26
COCCN1N=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020247873	0	50	-1.0	-48.45	395.15	1.20	-47.25
COCCN1N=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020247873	1	50	-1.0	-48.42	395.22	1.21	-47.21
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247874	0	40	-2.0	-108.09	352.49	0.69	-107.40
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247874	1	40	-2.0	-108.14	352.55	0.69	-107.45
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(=O)N1C	REAL300020247875	0	43	-1.0	-61.06	342.36	2.62	-58.44
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(=O)N1C	REAL300020247875	1	43	-1.0	-61.03	342.43	2.61	-58.42
CC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020247876	0	40	-1.0	-46.29	347.69	4.28	-42.01
CC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020247876	1	40	-1.0	-46.34	347.76	4.28	-42.06
O=C(NC1=C2SC=CC2=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247877	0	40	-1.0	-50.17	334.85	3.86	-46.31
O=C(NC1=C2SC=CC2=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247877	1	40	-1.0	-50.18	334.92	3.86	-46.32
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(N(C)C)=N1	REAL300020247878	0	47	-1.0	-47.16	365.63	2.52	-44.64
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(N(C)C)=[NH+]1	REAL300020247878	1	48	0.0	-57.19	372.00	2.33	-54.86
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(N(C)C)=N1	REAL300020247878	1	47	-1.0	-47.19	365.70	2.53	-44.66
CC(C#N)OC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247879	0	45	-1.0	-56.74	366.53	3.24	-53.50
CC(C#N)OC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247879	1	45	-1.0	-56.76	366.59	3.25	-53.51
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020247880	0	43	-1.0	-51.54	352.99	3.30	-48.24
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020247880	1	43	-1.0	-51.53	353.05	3.31	-48.22
O=C(NC1=CC=CC2=C1OCCC2=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247881	0	44	-1.0	-48.79	353.27	2.31	-46.48
O=C(NC1=CC=CC2=C1OCCC2=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247881	1	44	-1.0	-48.80	353.34	2.32	-46.48
CC1=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020247882	0	45	-2.0	-109.11	381.88	3.13	-105.98
CC1=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020247882	1	45	-2.0	-109.07	381.83	3.11	-105.96
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020247882	1	46	-1.0	-47.39	382.53	4.11	-43.28
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020247882	1	46	-1.0	-47.38	382.46	4.11	-43.27
O=C(NC1=CC([N+](=O)[O-])=CC=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247883	0	39	-1.0	-47.84	341.26	3.80	-44.04
O=C(NC1=CC([N+](=O)[O-])=CC=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247883	1	39	-1.0	-47.83	341.34	3.80	-44.03
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN=C1Br	REAL300020247884	0	39	-1.0	-44.67	332.09	1.87	-42.80
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN=C1Br	REAL300020247884	1	39	-1.0	-44.71	332.03	1.87	-42.84
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1N1CCOCC1	REAL300020247885	0	53	-1.0	-46.46	405.25	2.75	-43.71
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1N1CCOCC1	REAL300020247885	1	53	-1.0	-46.48	405.31	2.77	-43.71
COC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020247886	0	45	-1.0	-47.28	370.72	1.00	-46.28
COC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020247886	1	45	-1.0	-47.27	370.79	1.02	-46.25
O=C(NC1=CNN=C1C1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247887	0	44	-1.0	-48.53	354.36	2.67	-45.86
O=C(NC1=CNN=C1C1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247887	1	44	-1.0	-48.57	354.40	2.66	-45.91
CNC(=O)CN1C=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247888	0	43	-1.0	-67.62	356.97	2.21	-65.41
CNC(=O)CN1C=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247888	1	43	-1.0	-67.61	356.91	2.20	-65.41
COC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC=C1C(N)=O	REAL300020247889	0	45	-1.0	-56.47	360.02	-0.05	-56.52
COC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC=C1C(N)=O	REAL300020247889	1	45	-1.0	-56.47	360.10	-0.03	-56.50
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1F	REAL300020247890	0	40	-1.0	-49.88	324.30	3.27	-46.61
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1F	REAL300020247890	1	40	-1.0	-49.86	324.37	3.27	-46.59
CSC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247891	0	44	-1.0	-48.26	355.61	4.44	-43.82
CSC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247891	1	44	-1.0	-48.26	355.68	4.45	-43.81
CCCC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247892	0	46	-1.0	-45.91	363.52	3.23	-42.68
CCCC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247892	1	46	-1.0	-45.94	363.57	3.25	-42.69
CCC(C)N1N=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020247893	0	49	-1.0	-52.43	380.54	3.90	-48.53
CCC(C)N1N=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020247893	1	49	-1.0	-52.46	380.60	3.91	-48.55
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1C1=CC=C(C)C=C1	REAL300020247894	0	50	-1.0	-53.41	397.69	5.78	-47.63
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL300020247894	1	50	-1.0	-53.42	397.77	5.79	-47.63
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC=C1N(C)C	REAL300020247895	0	48	-1.0	-46.73	369.90	3.31	-43.42
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC=C1N(C)C	REAL300020247895	1	48	-1.0	-46.71	369.97	3.33	-43.38
CN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020247896	0	46	-1.0	-48.12	357.33	2.35	-45.77
CN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020247896	1	46	-1.0	-48.13	357.40	2.36	-45.77
O=C(NC1=CN=C2CCOCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247897	0	44	-1.0	-46.76	346.25	0.83	-45.93
O=C(NC1=CN=C2CCOCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247897	1	44	-1.0	-46.76	346.31	0.84	-45.92
COCCN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020247898	0	51	-1.0	-50.10	407.74	4.25	-45.85
COCCN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020247898	1	51	-1.0	-50.10	407.81	4.27	-45.83
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1C1=CC=CC(F)=C1	REAL300020247899	0	47	-1.0	-55.18	383.24	5.19	-49.99
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1C1=CC=CC(F)=C1	REAL300020247899	1	47	-1.0	-55.23	383.31	5.20	-50.03
CC(C)(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247900	0	46	-1.0	-45.99	352.73	3.39	-42.60
CC(C)(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247900	1	46	-1.0	-45.95	352.67	3.38	-42.57
CC1=NN(C2=NC=CC=N2)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247901	0	45	-1.0	-54.23	366.63	5.50	-48.73
CC1=NN(C2=NC=CC=N2)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247901	1	45	-1.0	-54.25	366.58	5.47	-48.78
O=C(NC1=CC=NN1C1=CC=NC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247902	0	43	-1.0	-47.45	348.96	2.99	-44.46
O=C(NC1=CC=NN1C1=CC=NC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247902	1	43	-1.0	-47.49	349.02	2.99	-44.50
CC1=CC=C(N2N=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=N1	REAL300020247903	0	45	-1.0	-58.96	367.16	3.64	-55.32
CC1=CC=C(N2N=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=N1	REAL300020247903	1	45	-1.0	-58.92	367.22	3.65	-55.27
O=C(NC1=CN=C2CCCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247904	0	43	-1.0	-47.53	338.40	2.70	-44.83
O=C(NC1=CN=C2CCCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247904	1	43	-1.0	-47.57	338.46	2.70	-44.87
CC1=NN(C2CC3CCC2C3)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247905	0	54	-1.0	-45.94	405.66	5.73	-40.21
CC1=NN(C2CC3CCC2C3)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247905	1	54	-1.0	-45.96	405.71	5.74	-40.22
O=C(NC1=CC(N2C=NN=N2)=CC=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247906	0	42	-1.0	-58.07	352.31	2.79	-55.28
O=C(NC1=CC(N2C=NN=N2)=CC=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247906	1	42	-1.0	-58.10	352.25	2.79	-55.31
CSC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020247907	0	44	-1.0	-47.64	354.00	4.26	-43.38
CSC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020247907	1	44	-1.0	-47.65	354.07	4.27	-43.38
O=C(NC1=CC=NC(OCC(F)(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247908	0	43	-1.0	-46.89	366.02	0.70	-46.19
O=C(NC1=CC=NC(OCC(F)(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247908	1	43	-1.0	-46.88	365.95	0.70	-46.18
CC(C)OC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247909	0	47	-1.0	-47.27	372.76	3.55	-43.72
CC(C)OC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247909	1	47	-1.0	-47.27	372.83	3.56	-43.71
C[N@H+](CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1)C1CC1	REAL300020247910	0	56	0.0	-68.96	427.59	6.71	-62.25
C[N@@H+](CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1)C1CC1	REAL300020247910	1	56	0.0	-69.49	427.59	6.71	-62.78
C[N@H+](CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1)C1CC1	REAL300020247910	1	56	0.0	-69.02	427.64	6.72	-62.30
C[N@@H+](CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1)C1CC1	REAL300020247910	1	56	0.0	-69.55	427.65	6.71	-62.84
O=C(NC1=CC=CN=C1N1CCCCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247911	0	51	-1.0	-47.38	386.60	3.93	-43.45
O=C(NC1=CC=CN=C1N1CCCCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247911	1	51	-1.0	-47.40	386.68	3.94	-43.46
COC(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247912	0	43	-1.0	-56.53	347.70	3.48	-53.05
COC(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247912	1	43	-1.0	-56.58	347.77	3.47	-53.11
O=C(NC1=CC=NC(OC2CCCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247913	0	53	-1.0	-47.03	408.22	3.08	-43.95
O=C(NC1=CC=NC(OC2CCCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247913	1	53	-1.0	-46.99	408.16	3.08	-43.91
CC1=NC(Br)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247914	0	39	-1.0	-44.12	333.31	2.06	-42.06
CC1=NC(Br)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247914	1	39	-1.0	-44.10	333.39	2.06	-42.04
O=C(NC1=CC=C(F)C=C1OCC(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247915	0	44	-1.0	-54.25	368.25	3.26	-50.99
O=C(NC1=CC=C(F)C=C1OCC(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247915	1	44	-1.0	-54.23	368.32	3.28	-50.95
O=C(NC1=CC=CN=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247916	0	36	-1.0	-48.82	308.15	1.35	-47.47
O=C(NC1=CC=CN=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247916	1	36	-1.0	-48.81	308.08	1.33	-47.48
CC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247917	0	35	-2.0	-109.84	304.27	0.75	-109.09
CC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247917	1	35	-2.0	-109.82	304.21	0.75	-109.07
CC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247917	1	36	-1.0	-48.46	306.87	1.87	-46.59
CC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247917	1	36	-1.0	-48.44	306.82	1.86	-46.58
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CS1	REAL300020247918	0	40	-1.0	-55.43	337.77	2.38	-53.05
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CS1	REAL300020247918	1	40	-1.0	-55.45	337.84	2.40	-53.05
CNS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247919	0	45	-1.0	-50.26	374.07	-1.28	-51.54
CNS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247919	1	45	-1.0	-50.24	374.12	-1.27	-51.51
CC1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020247920	0	42	-1.0	-49.82	342.14	0.20	-49.62
CC1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020247920	1	42	-1.0	-49.85	342.21	0.21	-49.64
O=C(NC1=CN=C(C2=CC=CC=C2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247921	0	45	-1.0	-46.65	366.67	3.86	-42.79
O=C(NC1=CN=C(C2=CC=CC=C2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247921	1	45	-1.0	-46.63	366.61	3.86	-42.77
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN1C	REAL300020247922	0	44	-1.0	-52.55	356.92	2.65	-49.90
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN1C	REAL300020247922	1	44	-1.0	-52.56	356.99	2.66	-49.90
O=C(NC1=CC=C(C2=NNC=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247923	0	44	-1.0	-51.26	357.22	2.56	-48.70
O=C(NC1=CC=C(C2=NNC=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247923	1	44	-1.0	-51.30	357.29	2.58	-48.72
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247924	0	45	-1.0	-48.04	358.62	4.84	-43.20
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247924	1	45	-1.0	-48.02	358.69	4.85	-43.17
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC1=O	REAL300020247925	0	40	-1.0	-49.12	326.22	1.32	-47.80
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC1=O	REAL300020247925	1	40	-1.0	-49.14	326.30	1.33	-47.81
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN1	REAL300020247926	0	41	-1.0	-49.93	339.35	0.87	-49.06
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN1	REAL300020247926	1	41	-1.0	-49.92	339.41	0.89	-49.03
CC1=NN(C(C)C)C(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247927	0	49	-1.0	-49.35	382.07	2.87	-46.48
CC1=NN(C(C)C)C(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247927	1	49	-1.0	-49.26	382.14	2.86	-46.40
O=C(NC1=CC=CN=C1Br)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247928	0	36	-1.0	-48.57	312.32	1.45	-47.12
O=C(NC1=CC=CN=C1Br)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247928	1	36	-1.0	-48.56	312.25	1.44	-47.12
CS(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020247929	0	42	-1.0	-57.01	349.68	1.15	-55.86
CS(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020247929	1	42	-1.0	-57.00	349.74	1.17	-55.83
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C(C)N1	REAL300020247930	0	44	-1.0	-56.83	356.74	1.53	-55.30
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C(C)N1	REAL300020247930	1	44	-1.0	-56.80	356.79	1.54	-55.26
CC1=NN(C(F)F)C(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247931	0	43	-1.0	-47.19	352.79	1.46	-45.73
CC1=NN(C(F)F)C(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247931	1	43	-1.0	-47.15	352.86	1.46	-45.69
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(Br)=N1	REAL300020247932	0	39	-1.0	-48.45	333.85	2.04	-46.41
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(Br)=N1	REAL300020247932	1	39	-1.0	-48.49	333.93	2.06	-46.43
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(Cl)=N1	REAL300020247933	0	40	-1.0	-46.54	340.27	-0.28	-46.82
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(Cl)=N1	REAL300020247933	1	40	-1.0	-46.51	340.19	-0.28	-46.79
CC(C)N1C=C2C=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC2=N1	REAL300020247934	0	49	-1.0	-51.28	387.58	3.94	-47.34
CC(C)N1C=C2C=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC2=N1	REAL300020247934	1	49	-1.0	-51.32	387.51	3.92	-47.40
NC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247935	0	40	-1.0	-49.37	331.67	-0.96	-50.33
NC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247935	1	40	-1.0	-49.45	331.60	-0.97	-50.42
CC1=CC(Br)=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247936	0	39	-1.0	-44.55	333.45	2.02	-42.53
CC1=CC(Br)=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247936	1	39	-1.0	-44.60	333.52	2.03	-42.57
C#CC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020247937	0	39	-1.0	-49.33	334.79	3.87	-45.46
C#CC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020247937	1	39	-1.0	-49.31	334.85	3.88	-45.43
COC1=NC=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247938	0	39	-1.0	-46.99	319.62	-0.90	-47.89
COC1=NC=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247938	1	39	-1.0	-46.93	319.55	-0.91	-47.84
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247939	0	42	-2.0	-107.30	358.50	2.73	-104.57
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247939	1	42	-2.0	-107.31	358.44	2.71	-104.60
O=C(NC1=CC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247939	1	43	-1.0	-45.92	360.86	3.79	-42.13
O=C(NC1=CC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247939	1	43	-1.0	-45.92	360.79	3.79	-42.13
CC1=NN=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)O1	REAL300020247940	0	45	-1.0	-49.68	371.27	-0.81	-50.49
CC1=NN=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)O1	REAL300020247940	1	45	-1.0	-49.69	371.34	-0.80	-50.49
CC(C)(C)N1C=C(C#N)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247941	0	47	-1.0	-55.42	384.02	3.87	-51.55
CC(C)(C)N1C=C(C#N)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247941	1	47	-1.0	-55.41	383.96	3.86	-51.55
CC(C)N1C=C(C#N)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247942	0	44	-1.0	-55.20	364.32	3.24	-51.96
CC(C)N1C=C(C#N)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247942	1	44	-1.0	-55.18	364.27	3.23	-51.95
CC1CCN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020247943	0	55	-1.0	-46.18	411.28	4.41	-41.77
CC1CCN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020247943	1	55	-1.0	-46.16	411.34	4.43	-41.73
CN(C)C(=O)CN1C=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247944	0	46	-1.0	-67.55	374.74	4.13	-63.42
CN(C)C(=O)CN1C=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247944	1	46	-1.0	-67.54	374.68	4.12	-63.42
CS(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020247945	0	42	-1.0	-50.16	355.25	1.20	-48.96
CS(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020247945	1	42	-1.0	-50.18	355.31	1.22	-48.96
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020247946	0	41	-1.0	-52.02	337.93	-0.62	-52.64
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020247946	1	41	-1.0	-52.04	337.98	-0.61	-52.65
O=C(NC1=CNN=C1C1=CC=CC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247947	0	43	-1.0	-52.89	351.09	1.19	-51.70
O=C(NC1=CNN=C1C1=CC=CC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247947	1	43	-1.0	-52.90	351.15	1.19	-51.71
CCC1=NN=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)O1	REAL300020247948	0	48	-1.0	-49.10	392.75	-0.06	-49.16
CCC1=NN=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)O1	REAL300020247948	1	48	-1.0	-49.13	392.82	-0.04	-49.17
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247949	0	43	-1.0	-53.23	359.12	2.26	-50.97
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247949	1	43	-1.0	-53.22	359.19	2.27	-50.95
CCOC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN1C	REAL300020247950	0	47	-1.0	-52.51	379.04	3.60	-48.91
CCOC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN1C	REAL300020247950	1	47	-1.0	-52.51	379.11	3.60	-48.91
CN1C=NN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)C1=O	REAL300020247951	0	47	-1.0	-56.81	381.50	4.80	-52.01
CN1C=NN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)C1=O	REAL300020247951	1	47	-1.0	-56.84	381.57	4.81	-52.03
O=C(NC1=CC=C(C2CC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247952	0	44	-1.0	-46.52	347.16	4.71	-41.81
O=C(NC1=CC=C(C2CC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247952	1	44	-1.0	-46.48	347.23	4.72	-41.76
O=C(NC1=C(F)C=C(Cl)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247953	0	37	-1.0	-47.21	326.70	3.27	-43.94
O=C(NC1=C(F)C=C(Cl)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247953	1	37	-1.0	-47.19	326.76	3.28	-43.91
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020247954	0	47	-1.0	-53.59	375.36	5.05	-48.54
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020247954	1	47	-1.0	-53.60	375.42	5.06	-48.54
CCC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247955	0	43	-1.0	-47.96	342.79	1.61	-46.35
CCC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247955	1	43	-1.0	-47.97	342.85	1.61	-46.36
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1CCC#N	REAL300020247956	0	44	-1.0	-54.33	363.41	3.08	-51.25
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1CCC#N	REAL300020247956	1	44	-1.0	-54.33	363.46	3.09	-51.24
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(Cl)=C1Cl	REAL300020247957	0	40	-1.0	-47.59	346.93	4.20	-43.39
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(Cl)=C1Cl	REAL300020247957	1	40	-1.0	-47.56	347.00	4.19	-43.37
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247958	0	43	-1.0	-52.98	358.97	3.07	-49.91
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247958	1	43	-1.0	-53.03	358.91	3.06	-49.97
COC(=O)C1=CSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020247959	0	43	-1.0	-48.36	358.95	2.81	-45.55
COC(=O)C1=CSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020247959	1	43	-1.0	-48.37	359.00	2.84	-45.53
O=C(NC1=CC=C(C(F)(F)F)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247960	0	39	-1.0	-44.61	333.46	1.83	-42.78
O=C(NC1=CC=C(C(F)(F)F)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247960	1	39	-1.0	-44.58	333.38	1.83	-42.75
CCC(C)N1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C1CC1	REAL300020247961	0	53	-1.0	-48.44	409.84	4.52	-43.92
CCC(C)N1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C1CC1	REAL300020247961	1	53	-1.0	-48.47	409.89	4.52	-43.95
O=C(NC1=CC=CC(C2=NC=CO2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247962	0	43	-1.0	-50.36	353.68	1.07	-49.29
O=C(NC1=CC=CC(C2=NC=CO2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247962	1	43	-1.0	-50.33	353.62	1.05	-49.28
CC1=NN(C2=CC=CC=C2F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247963	0	47	-1.0	-49.62	383.41	5.38	-44.24
CC1=NN(C2=CC=CC=C2F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247963	1	47	-1.0	-49.62	383.49	5.39	-44.23
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N(C2=CC=CC=C2)N=C1	REAL300020247964	0	47	-1.0	-49.32	374.00	4.93	-44.39
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N(C2=CC=CC=C2)N=C1	REAL300020247964	1	47	-1.0	-49.32	373.93	4.93	-44.39
CC(C)CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C(F)F	REAL300020247965	0	49	-1.0	-45.27	389.87	3.39	-41.88
CC(C)CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C(F)F	REAL300020247965	1	49	-1.0	-45.30	389.89	3.41	-41.89
CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C(F)F	REAL300020247966	0	40	-1.0	-52.36	332.33	0.97	-51.39
CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C(F)F	REAL300020247966	1	40	-1.0	-52.43	332.39	0.98	-51.45
O=C(NC1=CN=CC2=CC=CC=C21)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247967	0	42	-1.0	-49.90	336.77	3.05	-46.85
O=C(NC1=CN=CC2=CC=CC=C21)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247967	1	42	-1.0	-49.92	336.70	3.03	-46.89
COC1=CC=NC2=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC=C12	REAL300020247968	0	46	-1.0	-53.40	367.38	2.41	-50.99
COC1=CC=NC2=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC=C12	REAL300020247968	1	46	-1.0	-53.38	367.31	2.39	-50.99
CNC(=O)CN1N=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020247969	0	47	-1.0	-62.03	381.14	0.28	-61.75
CNC(=O)CN1N=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020247969	1	47	-1.0	-62.02	381.19	0.29	-61.73
O=C(NC1=CN=CC(Br)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247970	0	36	-1.0	-44.00	313.72	1.41	-42.59
O=C(NC1=CN=CC(Br)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247970	1	36	-1.0	-44.00	313.65	1.39	-42.61
CCC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=NN1CC(C)C	REAL300020247971	0	52	-1.0	-48.17	401.67	3.90	-44.27
CCC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=NN1CC(C)C	REAL300020247971	1	52	-1.0	-48.16	401.73	3.91	-44.25
CC1(C)CC(C)(C)C2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020247972	0	56	-1.0	-47.06	417.90	6.46	-40.60
CC1(C)CC(C)(C)C2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020247972	1	56	-1.0	-47.08	417.97	6.47	-40.61
N#CC1=CC=C2CCN(C(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C2=C1	REAL300020247973	0	42	-1.0	-48.54	340.22	5.17	-43.37
N#CC1=CC=C2CCN(C(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C2=C1	REAL300020247973	1	42	-1.0	-48.56	340.28	5.18	-43.38
O=C([N-]C1=C(C2CC2)N=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247974	0	39	-2.0	-104.52	333.02	0.94	-103.58
O=C([N-]C1=C(C2CC2)N=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247974	1	39	-2.0	-104.51	333.08	0.96	-103.55
O=C(NC1=C(C2CC2)N=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247974	1	40	-1.0	-46.30	333.88	1.99	-44.31
O=C(NC1=C(C2CC2)N=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247974	1	40	-1.0	-46.29	333.93	2.01	-44.28
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247975	0	46	-1.0	-52.76	372.35	1.85	-50.91
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247975	1	46	-1.0	-52.79	372.28	1.82	-50.97
CC1=CC=CC=C1N1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247976	0	47	-1.0	-48.11	374.41	5.58	-42.53
CC1=CC=CC=C1N1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247976	1	47	-1.0	-48.12	374.35	5.56	-42.56
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247977	0	50	-1.0	-48.48	396.98	5.97	-42.51
CC1=NN(C2=CC=C(C)C=C2)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247977	1	50	-1.0	-48.50	397.05	5.97	-42.53
CC1=NN(C2=CC=C(F)C=C2)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247978	0	47	-1.0	-46.58	382.00	5.35	-41.23
CC1=NN(C2=CC=C(F)C=C2)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247978	1	47	-1.0	-46.62	382.07	5.36	-41.26
O=C(NC1=CC=NN1C1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247979	0	44	-1.0	-48.24	354.00	4.77	-43.47
O=C(NC1=CC=NN1C1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247979	1	44	-1.0	-48.25	353.95	4.76	-43.49
CC1=CC=C(Br)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247980	0	40	-1.0	-48.28	338.62	3.94	-44.34
CC1=CC=C(Br)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247980	1	40	-1.0	-48.33	338.69	3.95	-44.38
CN1C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2N=C1C1CC1	REAL300020247981	0	50	-1.0	-55.25	397.86	5.22	-50.03
CN1C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2N=C1C1CC1	REAL300020247981	1	50	-1.0	-55.26	397.93	5.24	-50.02
O=C(NC1=CC=CC2=C1OCCO2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247982	0	43	-1.0	-50.66	341.82	1.77	-48.89
O=C(NC1=CC=CC2=C1OCCO2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247982	1	43	-1.0	-50.62	341.89	1.78	-48.84
O=C(NC1=CC2=C(C=C1Cl)OCO2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247983	0	40	-1.0	-46.74	339.08	1.76	-44.98
O=C(NC1=CC2=C(C=C1Cl)OCO2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247983	1	40	-1.0	-46.70	339.15	1.76	-44.94
O=C(NC1=CN=CC2=CC=CC=C21)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247984	0	42	-1.0	-49.90	336.77	3.05	-46.85
O=C(NC1=CN=CC2=CC=CC=C21)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247984	1	42	-1.0	-49.92	336.70	3.03	-46.89
CN1N=C2CCCC2=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247985	0	44	-1.0	-47.87	341.83	2.91	-44.96
CN1N=C2CCCC2=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247985	1	44	-1.0	-47.89	341.90	2.90	-44.99
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247986	0	49	-1.0	-47.18	386.16	4.94	-42.24
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247986	1	49	-1.0	-47.20	386.23	4.96	-42.24
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL300020247987	0	50	-1.0	-46.99	395.27	6.78	-40.21
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL300020247987	1	50	-1.0	-46.99	395.34	6.80	-40.19
O=C(NC1=CN(C(F)F)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247988	0	37	-1.0	-48.10	313.22	0.40	-47.70
O=C(NC1=CN(C(F)F)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247988	1	37	-1.0	-48.12	313.16	0.39	-47.73
CC1=NOC(C2CC2)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247989	0	43	-1.0	-45.26	343.21	2.86	-42.40
CC1=NOC(C2CC2)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247989	1	43	-1.0	-45.28	343.28	2.88	-42.40
CS(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247990	0	45	-1.0	-47.73	371.18	2.00	-45.73
CS(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247990	1	45	-1.0	-47.74	371.24	2.01	-45.73
COC1=CC(C#N)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247991	0	42	-1.0	-48.05	347.61	2.29	-45.76
COC1=CC(C#N)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247991	1	42	-1.0	-48.06	347.68	2.29	-45.77
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1OC(C)C	REAL300020247992	0	51	-1.0	-47.73	397.28	3.45	-44.28
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1OC(C)C	REAL300020247992	1	51	-1.0	-47.74	397.35	3.47	-44.27
O=C(C(=O)N1CCCCC1C1=N[N-]N=N1)N1CCC2=C(F)C=CC=C21	REAL300020247993	0	41	-1.0	-46.38	325.78	4.84	-41.54
O=C(C(=O)N1CCCCC1C1=NN=N[N-]1)N1CCC2=C(F)C=CC=C21	REAL300020247993	1	41	-1.0	-46.39	325.84	4.85	-41.54
CC1=CC(Cl)=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247994	0	43	-1.0	-44.68	351.23	4.52	-40.16
CC1=CC(Cl)=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247994	1	43	-1.0	-44.72	351.30	4.54	-40.18
CC1=CC(N(C)C)=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247995	0	51	-1.0	-48.50	386.99	4.43	-44.07
CC1=CC(N(C)C)=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247995	1	51	-1.0	-48.48	387.06	4.44	-44.04
CC1=CC(C(C)C)=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247996	0	52	-1.0	-46.83	394.70	5.94	-40.89
CC1=CC(C(C)C)=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247996	1	52	-1.0	-46.86	394.77	5.96	-40.90
O=C(NC1=CC=CC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247997	0	36	-1.0	-50.30	294.63	2.19	-48.11
O=C(NC1=CC=CC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247997	1	36	-1.0	-50.31	294.56	2.19	-48.12
CCN1C=NN=C1C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247998	0	49	-1.0	-64.70	388.54	6.24	-58.46
CCN1C=NN=C1C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247998	1	49	-1.0	-64.77	388.61	6.24	-58.53
O=C(NC1=NN(C2=CC=CC=C2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247999	0	43	-1.0	-48.66	353.20	3.15	-45.51
O=C(NC1=NN(C2=CC=CC=C2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247999	1	43	-1.0	-48.62	353.14	3.14	-45.48
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020248000	0	49	-1.0	-53.39	389.06	3.35	-50.04
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020248000	1	49	-1.0	-53.42	388.99	3.35	-50.07
CN(C)C(=O)C1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248001	0	47	-1.0	-54.00	377.73	2.74	-51.26
CN(C)C(=O)C1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248001	1	47	-1.0	-53.94	377.78	2.76	-51.18
O=C(NC1=CN=CN=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248002	0	35	-1.0	-44.71	287.18	0.59	-44.12
O=C(NC1=CN=CN=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248002	1	35	-1.0	-44.70	287.12	0.58	-44.12
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020248003	0	51	-1.0	-47.81	398.20	3.48	-44.33
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020248003	1	51	-1.0	-47.85	398.27	3.49	-44.36
COC1=CC2=C(C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)NC(=O)CC2	REAL300020248004	0	49	-1.0	-53.69	386.72	1.09	-52.60
COC1=CC2=C(C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)NC(=O)CC2	REAL300020248004	1	49	-1.0	-53.66	386.79	1.10	-52.56
O=C(NC1=NN(C2CCCCC2)C=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248005	0	49	-1.0	-52.84	379.92	6.73	-46.11
O=C(NC1=NN(C2CCCCC2)C=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248005	1	49	-1.0	-52.83	379.85	6.71	-46.12
O=C(NC1=CC=CC=C1CN1CCNC1=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248006	0	50	-1.0	-64.28	390.09	2.54	-61.74
O=C(NC1=CC=CC=C1CN1CCNC1=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248006	1	50	-1.0	-64.29	390.15	2.53	-61.76
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(=O)N1	REAL300020248007	0	40	-1.0	-61.41	325.98	0.93	-60.48
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(=O)N1	REAL300020248007	1	40	-1.0	-61.34	326.05	0.92	-60.42
O=C(NC1=CC=CC(C(F)F)=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248008	0	40	-1.0	-53.50	343.16	3.88	-49.62
O=C(NC1=CC=CC(C(F)F)=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248008	1	40	-1.0	-53.48	343.23	3.90	-49.58
CSCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248009	0	44	-1.0	-48.38	361.65	4.64	-43.74
CSCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248009	1	44	-1.0	-48.35	361.72	4.66	-43.69
CN(C)C1=NC=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248010	0	43	-1.0	-45.00	338.39	1.60	-43.40
CN(C)C1=NC=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248010	1	43	-1.0	-44.98	338.34	1.58	-43.40
O=C(NC1=CC=NC(CC2=CC=CC=C2)=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248011	0	48	-1.0	-49.41	392.73	5.59	-43.82
O=C(NC1=CC=NC(CC2=CC=CC=C2)=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248011	1	48	-1.0	-49.46	392.80	5.61	-43.85
CCOC(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248012	0	46	-1.0	-56.65	369.56	4.40	-52.25
CCOC(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248012	1	46	-1.0	-56.64	369.63	4.41	-52.23
COC(=O)C1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248013	0	43	-1.0	-53.67	365.12	3.96	-49.71
COC(=O)C1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248013	1	43	-1.0	-53.69	365.19	3.98	-49.71
COC(=O)C1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248014	0	43	-1.0	-52.18	365.21	3.99	-48.19
COC(=O)C1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248014	1	43	-1.0	-52.22	365.28	3.99	-48.23
COC(=O)C1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248015	0	43	-1.0	-52.22	354.89	3.55	-48.67
COC(=O)C1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248015	1	43	-1.0	-52.22	354.97	3.55	-48.67
COC(=O)C1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248016	0	43	-1.0	-53.83	354.80	3.51	-50.32
COC(=O)C1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248016	1	43	-1.0	-53.87	354.87	3.53	-50.34
COC(=O)C1=CC(OC)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248017	0	47	-1.0	-54.94	377.94	2.76	-52.18
COC(=O)C1=CC(OC)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248017	1	47	-1.0	-54.95	378.01	2.76	-52.19
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C(=O)OC)=C1	REAL300020248018	0	49	-1.0	-55.44	391.36	4.91	-50.53
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C(=O)OC)=C1	REAL300020248018	1	49	-1.0	-55.39	391.43	4.91	-50.48
COC(=O)C1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248019	0	43	-1.0	-52.69	358.31	3.28	-49.41
COC(=O)C1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248019	1	43	-1.0	-52.72	358.38	3.30	-49.42
COC(=O)C1=CC=C(OC)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248020	0	47	-1.0	-57.15	377.79	2.76	-54.39
COC(=O)C1=CC=C(OC)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248020	1	47	-1.0	-57.18	377.86	2.77	-54.41
COC(=O)C1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248021	0	46	-1.0	-55.77	370.19	4.20	-51.57
COC(=O)C1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248021	1	46	-1.0	-55.82	370.26	4.22	-51.60
COC(=O)C1=CC(F)=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248022	0	43	-1.0	-49.88	361.40	3.63	-46.25
COC(=O)C1=CC(F)=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248022	1	43	-1.0	-49.90	361.46	3.64	-46.26
CCOC(=O)C1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248023	0	46	-1.0	-53.44	379.96	4.35	-49.09
CCOC(=O)C1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248023	1	46	-1.0	-53.44	380.04	4.36	-49.08
O=C(C(=O)N1CCCCC1C1=N[N-]N=N1)N1CCC2=C1C=CC=C2C(F)(F)F	REAL300020248024	0	44	-1.0	-46.28	358.02	5.63	-40.65
O=C(C(=O)N1CCCCC1C1=NN=N[N-]1)N1CCC2=C1C=CC=C2C(F)(F)F	REAL300020248024	1	44	-1.0	-46.28	358.09	5.63	-40.65
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248025	0	47	-1.0	-48.83	377.35	4.28	-44.55
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248025	1	47	-1.0	-48.85	377.41	4.27	-44.58
CC1=CC(=O)N(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248026	0	43	-1.0	-48.18	341.33	1.90	-46.28
CC1=CC(=O)N(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248026	1	43	-1.0	-48.27	341.40	1.90	-46.37
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN(C)C1=O	REAL300020248027	0	43	-1.0	-49.07	347.00	2.09	-46.98
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN(C)C1=O	REAL300020248027	1	43	-1.0	-49.04	347.05	2.09	-46.95
CC(CNC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)S(N)(=O)=O	REAL300020248028	0	41	-1.0	-60.03	335.11	-4.20	-64.23
CC(CNC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)S(N)(=O)=O	REAL300020248028	1	41	-1.0	-60.03	335.19	-4.19	-64.22
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NC=N1	REAL300020248029	0	39	-1.0	-47.43	321.91	0.49	-46.94
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NC=N1	REAL300020248029	1	39	-1.0	-47.44	321.83	0.47	-46.97
CC1=CC=CC(F)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248030	0	40	-1.0	-49.99	320.73	3.45	-46.54
CC1=CC=CC(F)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248030	1	40	-1.0	-50.01	320.82	3.45	-46.56
CC1=CC2=C(C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)OCO2	REAL300020248031	0	43	-1.0	-47.57	341.59	2.07	-45.50
CC1=CC2=C(C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)OCO2	REAL300020248031	1	43	-1.0	-47.57	341.66	2.08	-45.49
CN1N=C(C2CCCC2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248032	0	50	-1.0	-45.99	383.02	4.18	-41.81
CN1N=C(C2CCCC2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248032	1	50	-1.0	-45.94	383.09	4.18	-41.76
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248033	0	42	-1.0	-51.00	351.64	-2.49	-53.49
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248033	1	42	-1.0	-50.99	351.70	-2.48	-53.47
CCOC(=O)C1=CN(C)N=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248034	0	46	-1.0	-60.77	378.49	3.12	-57.65
CCOC(=O)C1=CN(C)N=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248034	1	46	-1.0	-60.78	378.44	3.11	-57.67
O=C(NC1=CC=C(C2=CC=CN2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248035	0	45	-1.0	-48.57	360.63	3.96	-44.61
O=C(NC1=CC=C(C2=CC=CN2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248035	1	45	-1.0	-48.58	360.70	3.98	-44.60
CC(C)OC1=C(F)C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020248036	0	47	-1.0	-44.50	383.04	3.67	-40.83
CC(C)OC1=C(F)C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020248036	1	47	-1.0	-44.47	383.12	3.69	-40.78
COCCOC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248037	0	49	-1.0	-53.43	401.98	2.58	-50.85
COCCOC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248037	1	49	-1.0	-53.41	402.05	2.58	-50.83
O=C(NC1=CC=CC2=C1OCO2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248038	0	40	-1.0	-50.56	324.12	1.15	-49.41
O=C(NC1=CC=CC2=C1OCO2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248038	1	40	-1.0	-50.51	324.19	1.16	-49.35
CSC1=C(F)C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020248039	0	41	-1.0	-43.64	353.98	3.80	-39.84
CSC1=C(F)C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020248039	1	41	-1.0	-43.63	354.05	3.81	-39.82
CC1=CC=NN1C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248040	0	47	-1.0	-56.89	374.61	4.60	-52.29
CC1=CC=NN1C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248040	1	47	-1.0	-56.89	374.67	4.61	-52.28
COC1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1	REAL300020248041	0	48	-1.0	-48.04	377.60	3.48	-44.56
COC1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1	REAL300020248041	1	48	-1.0	-48.04	377.68	3.47	-44.57
O=C(NC1=CN=C2CCCCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248042	0	46	-1.0	-46.61	355.28	3.25	-43.36
O=C(NC1=CN=C2CCCCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248042	1	46	-1.0	-46.64	355.34	3.26	-43.38
CCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248043	0	38	-2.0	-109.99	325.75	1.53	-108.46
CCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248043	1	38	-2.0	-109.97	325.69	1.53	-108.44
CCC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248043	1	39	-1.0	-48.08	328.36	2.65	-45.43
CCC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248043	1	39	-1.0	-48.11	328.30	2.65	-45.46
CCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248044	0	41	-2.0	-109.98	347.25	2.31	-107.67
CCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248044	1	41	-2.0	-110.01	347.19	2.31	-107.70
CCCC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248044	1	42	-1.0	-47.91	349.85	3.43	-44.48
CCCC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248044	1	42	-1.0	-47.87	349.80	3.43	-44.44
CC(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248045	0	41	-2.0	-110.61	346.10	2.16	-108.45
CC(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248045	1	41	-2.0	-110.63	346.04	2.16	-108.47
CC(C)C1=CN=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248045	1	42	-1.0	-47.96	348.70	3.28	-44.68
CC(C)C1=CN=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248045	1	42	-1.0	-47.93	348.65	3.28	-44.65
O=C([N-]C1=NC=C(C2CCCCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248046	0	48	-2.0	-111.17	387.72	4.06	-107.11
O=C([N-]C1=NC=C(C2CCCCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248046	1	48	-2.0	-111.20	387.67	4.05	-107.15
O=C(NC1=NC=C(C2CCCCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248046	1	49	-1.0	-47.57	390.34	5.18	-42.39
O=C(NC1=NC=C(C2CCCCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248046	1	49	-1.0	-47.59	390.28	5.17	-42.42
O=C(NC1=CN=CC=C1C1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248047	0	46	-1.0	-48.51	369.03	4.70	-43.81
O=C(NC1=CN=CC=C1C1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248047	1	46	-1.0	-48.57	368.94	4.70	-43.87
CC1=CC2=NNC=C2C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248048	0	43	-1.0	-51.37	342.40	2.16	-49.21
CC1=CC2=NNC=C2C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248048	1	43	-1.0	-51.36	342.48	2.17	-49.19
COC1=CC(Cl)=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248049	0	41	-1.0	-46.38	358.77	2.88	-43.50
COC1=CC(Cl)=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248049	1	41	-1.0	-46.41	358.84	2.89	-43.52
CCC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=NN1CCC(C)C	REAL300020248050	0	55	-1.0	-47.85	423.35	4.42	-43.43
CCC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=NN1CCC(C)C	REAL300020248050	1	55	-1.0	-47.87	423.41	4.42	-43.45
O=C(NC1=CC=C(N2CC3CCC2C3)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248051	0	53	-1.0	-47.25	390.59	3.75	-43.50
O=C(NC1=CC=C(N2CC3CCC2C3)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248051	1	53	-1.0	-47.22	390.66	3.75	-43.47
O=C([N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248052	0	45	-2.0	-111.25	385.66	4.56	-106.69
O=C([N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248052	1	45	-2.0	-111.23	385.60	4.55	-106.68
O=C(NC1=NC=C(CC2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248052	1	46	-1.0	-49.31	388.27	5.67	-43.64
O=C(NC1=NC=C(CC2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248052	1	46	-1.0	-49.33	388.21	5.67	-43.66
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=CS1	REAL300020248053	0	43	-1.0	-56.58	356.76	3.04	-53.54
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=CS1	REAL300020248053	1	43	-1.0	-56.56	356.82	3.05	-53.51
CN1C=C(C2=NC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248054	0	46	-1.0	-54.14	372.09	2.59	-51.55
CN1C=C(C2=NC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248054	1	46	-1.0	-54.12	371.99	2.58	-51.54
COCCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248055	0	47	-1.0	-49.60	370.56	3.27	-46.33
COCCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248055	1	47	-1.0	-49.62	370.63	3.28	-46.34
CN1C=CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C21	REAL300020248056	0	44	-1.0	-47.76	346.25	4.53	-43.23
CN1C=CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C21	REAL300020248056	1	44	-1.0	-47.80	346.33	4.54	-43.26
CC1=CN=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248057	0	39	-1.0	-48.45	329.55	1.92	-46.53
CC1=CN=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248057	1	39	-1.0	-48.45	329.48	1.92	-46.53
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020248058	0	47	-1.0	-47.59	382.80	4.03	-43.56
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020248058	1	47	-1.0	-47.60	382.85	4.05	-43.55
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C2NC=CC2=C1	REAL300020248059	0	44	-1.0	-49.69	348.25	3.46	-46.23
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C2NC=CC2=C1	REAL300020248059	1	44	-1.0	-49.66	348.32	3.48	-46.18
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020248060	0	41	-1.0	-45.44	333.21	1.92	-43.52
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020248060	1	41	-1.0	-45.44	333.27	1.94	-43.50
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(OC)=C1	REAL300020248061	0	47	-1.0	-49.32	381.50	2.54	-46.78
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(OC)=C1	REAL300020248061	1	47	-1.0	-49.31	381.57	2.54	-46.77
CN1N=CC2=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020248062	0	43	-1.0	-50.27	347.33	2.40	-47.87
CN1N=CC2=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020248062	1	43	-1.0	-50.27	347.26	2.40	-47.87
O=C(NC1=CC=C(OC2COC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248063	0	46	-1.0	-47.37	366.19	1.42	-45.95
O=C(NC1=CC=C(OC2COC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248063	1	46	-1.0	-47.39	366.26	1.44	-45.95
CC[NH+](CC)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248064	0	55	0.0	-69.90	410.68	5.81	-64.09
CC[NH+](CC)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248064	1	55	0.0	-69.91	410.75	5.83	-64.08
CCC1(C)OC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2O1	REAL300020248065	0	49	-1.0	-48.17	380.38	3.31	-44.86
CCC1(C)OC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2O1	REAL300020248065	1	49	-1.0	-48.14	380.44	3.33	-44.81
CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C(F)(F)F	REAL300020248066	0	40	-1.0	-46.81	332.62	1.10	-45.71
CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C(F)(F)F	REAL300020248066	1	40	-1.0	-46.77	332.55	1.08	-45.69
CC1=CC=C(N2C=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=N2)C(C)=C1	REAL300020248067	0	50	-1.0	-48.35	393.60	5.28	-43.07
CC1=CC=C(N2C=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=N2)C(C)=C1	REAL300020248067	1	50	-1.0	-48.39	393.52	5.26	-43.13
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C(C)C=C1C	REAL300020248068	0	49	-1.0	-47.99	387.59	4.53	-43.46
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C(C)C=C1C	REAL300020248068	1	49	-1.0	-47.99	387.66	4.54	-43.45
CN(C)C(=O)CNC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248069	0	40	-1.0	-55.38	320.48	-0.78	-56.16
CN(C)C(=O)CNC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248069	1	40	-1.0	-55.42	320.55	-0.77	-56.19
CN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020248070	0	44	-1.0	-49.65	351.72	4.36	-45.29
CN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020248070	1	44	-1.0	-49.64	351.78	4.37	-45.27
O=C(NC1=CSC(Cl)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248071	0	34	-1.0	-44.42	304.68	2.10	-42.32
O=C(NC1=CSC(Cl)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248071	1	34	-1.0	-44.42	304.74	2.12	-42.30
CCCC1=CC=CC(C(C)C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248072	0	55	-1.0	-48.48	411.11	6.85	-41.63
CCCC1=CC=CC(C(C)C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248072	1	55	-1.0	-48.52	411.18	6.87	-41.65
O=C(NC1=CC=NN1C1=CC=CC(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248073	0	44	-1.0	-51.46	360.42	4.83	-46.63
O=C(NC1=CC=NN1C1=CC=CC(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248073	1	44	-1.0	-51.48	360.36	4.83	-46.65
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020248074	0	46	-1.0	-53.65	367.05	2.35	-51.30
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020248074	1	46	-1.0	-53.66	366.98	2.35	-51.31
COC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020248075	0	44	-1.0	-47.82	351.14	2.77	-45.05
COC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020248075	1	44	-1.0	-47.82	351.21	2.76	-45.06
CC1=CC=C(C2=NC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248076	0	46	-1.0	-49.55	381.16	4.73	-44.82
CC1=CC=C(C2=NC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248076	1	46	-1.0	-49.51	381.08	4.72	-44.79
O=C(NC1=C(Cl)SC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248077	0	34	-1.0	-47.05	302.62	2.10	-44.95
O=C(NC1=C(Cl)SC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248077	1	34	-1.0	-47.04	302.69	2.10	-44.94
CC1=NN(C2=CC=C(C)N=N2)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248078	0	48	-1.0	-58.98	389.06	4.19	-54.79
CC1=NN(C2=CC=C(C)N=N2)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248078	1	48	-1.0	-59.05	389.11	4.21	-54.84
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248079	0	46	-1.0	-46.34	366.86	4.55	-41.79
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248079	1	46	-1.0	-46.32	366.80	4.54	-41.78
CCCC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248080	0	44	-2.0	-105.58	366.70	1.55	-104.03
CCCC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248080	1	44	-2.0	-105.57	366.76	1.58	-103.99
CCCC1=NC(C)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248080	1	45	-1.0	-46.01	367.65	2.59	-43.42
CCCC1=NC(C)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248080	1	45	-1.0	-46.06	367.71	2.60	-43.46
C[NH+](C)CCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248081	0	52	0.0	-56.54	394.84	5.51	-51.03
C[NH+](C)CCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248081	1	52	0.0	-56.54	394.92	5.52	-51.02
CSC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248082	0	44	-1.0	-50.47	352.56	4.33	-46.14
CSC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248082	1	44	-1.0	-50.46	352.63	4.34	-46.12
CC1=CC(Br)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248083	0	40	-1.0	-45.79	340.66	3.90	-41.89
CC1=CC(Br)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248083	1	40	-1.0	-45.82	340.72	3.90	-41.92
CC1=C(C)C2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020248084	0	46	-1.0	-49.28	367.26	4.32	-44.96
CC1=C(C)C2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020248084	1	46	-1.0	-49.27	367.33	4.34	-44.93
CC1=CC(C2=NC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CS1	REAL300020248085	0	46	-1.0	-48.64	380.26	4.53	-44.11
CC1=CC(C2=NC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CS1	REAL300020248085	1	46	-1.0	-48.63	380.18	4.53	-44.10
CC1=CC=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248086	0	39	-1.0	-50.02	316.15	2.89	-47.13
CC1=CC=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248086	1	39	-1.0	-50.07	316.21	2.90	-47.17
O=C(NC1=CC=C(Br)C=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248087	0	36	-1.0	-47.01	315.97	2.79	-44.22
O=C(NC1=CC=C(Br)C=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248087	1	36	-1.0	-47.05	315.90	2.78	-44.27
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248088	0	39	-1.0	-50.68	316.25	2.81	-47.87
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248088	1	39	-1.0	-50.68	316.33	2.82	-47.86
O=C(NC1=CC=C(C(F)(F)F)C=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248089	0	39	-1.0	-46.84	333.77	3.18	-43.66
O=C(NC1=CC=C(C(F)(F)F)C=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248089	1	39	-1.0	-46.88	333.70	3.17	-43.71
CC1=COC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C12	REAL300020248090	0	43	-1.0	-49.03	347.74	3.56	-45.47
CC1=COC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C12	REAL300020248090	1	43	-1.0	-49.02	347.81	3.58	-45.44
CCCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248091	0	49	-1.0	-45.37	390.82	1.79	-43.58
CCCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248091	1	49	-1.0	-45.33	390.74	1.79	-43.54
O=C(NC1=CC=CC(C(F)(F)F)=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248092	0	39	-1.0	-50.67	334.43	3.22	-47.45
O=C(NC1=CC=CC(C(F)(F)F)=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248092	1	39	-1.0	-50.63	334.37	3.21	-47.42
C#CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248093	0	43	-1.0	-52.88	354.61	3.42	-49.46
C#CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248093	1	43	-1.0	-52.88	354.68	3.43	-49.45
COC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248094	0	41	-1.0	-47.25	343.57	2.40	-44.85
COC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248094	1	41	-1.0	-47.20	343.64	2.41	-44.79
CC(=O)N1CCC2=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020248095	0	48	-1.0	-50.65	378.34	3.74	-46.91
CC(=O)N1CCC2=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020248095	1	48	-1.0	-50.64	378.39	3.75	-46.89
O=C(NC1=C(F)C=C2NC(=O)CCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248096	0	45	-1.0	-50.28	363.81	1.81	-48.47
O=C(NC1=C(F)C=C2NC(=O)CCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248096	1	45	-1.0	-50.34	363.88	1.81	-48.53
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(OC)=N1	REAL300020248097	0	46	-1.0	-47.72	380.12	-0.04	-47.76
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(OC)=N1	REAL300020248097	1	46	-1.0	-47.72	380.06	-0.05	-47.77
CC(C)OC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=N1	REAL300020248098	0	46	-1.0	-46.29	366.59	1.17	-45.12
CC(C)OC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=N1	REAL300020248098	1	46	-1.0	-46.36	366.53	1.16	-45.20
O=C(NC1=C2NC=CC2=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248099	0	41	-1.0	-47.97	329.44	2.51	-45.46
O=C(NC1=C2NC=CC2=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248099	1	41	-1.0	-47.96	329.51	2.53	-45.43
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1F	REAL300020248100	0	41	-1.0	-52.37	333.16	1.87	-50.50
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1F	REAL300020248100	1	41	-1.0	-52.38	333.23	1.89	-50.49
CC(C1CC1)N1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248101	0	47	-1.0	-48.12	372.34	3.17	-44.95
CC(C1CC1)N1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248101	1	47	-1.0	-48.07	372.28	3.17	-44.90
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1Br	REAL300020248102	0	40	-1.0	-48.57	335.40	3.85	-44.72
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1Br	REAL300020248102	1	40	-1.0	-48.62	335.47	3.84	-44.78
COCC(C)N1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248103	0	47	-1.0	-51.28	373.58	1.65	-49.63
COCC(C)N1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248103	1	47	-1.0	-51.33	373.52	1.64	-49.69
O=C(NC1=CC(C(F)(F)F)=CC=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248104	0	40	-1.0	-47.33	342.71	3.62	-43.71
O=C(NC1=CC(C(F)(F)F)=CC=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248104	1	40	-1.0	-47.32	342.78	3.62	-43.70
O=C(NC1=NOC(C2CCOCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248105	0	47	-1.0	-48.76	369.58	2.62	-46.14
O=C(NC1=NOC(C2CCOCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248105	1	47	-1.0	-48.78	369.64	2.62	-46.16
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(=O)N(C)C=C1	REAL300020248106	0	43	-1.0	-62.54	345.70	3.02	-59.52
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(=O)N(C)C=C1	REAL300020248106	1	43	-1.0	-62.52	345.77	3.01	-59.51
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248107	0	49	-1.0	-46.55	382.04	6.13	-40.42
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248107	1	49	-1.0	-46.55	382.11	6.15	-40.40
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(C)=C1Cl	REAL300020248108	0	43	-1.0	-45.18	352.57	4.21	-40.97
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(C)=C1Cl	REAL300020248108	1	43	-1.0	-45.18	352.64	4.23	-40.95
CC1=C([N+](=O)[O-])C=CC(F)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248109	0	42	-1.0	-47.46	345.94	4.16	-43.30
CC1=C([N+](=O)[O-])C=CC(F)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248109	1	42	-1.0	-47.41	346.01	4.17	-43.24
CC1=NC(C(F)(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248110	0	42	-1.0	-44.31	351.00	2.71	-41.60
CC1=NC(C(F)(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248110	1	42	-1.0	-44.32	351.08	2.71	-41.61
O=C(NC1=CC=C(OC(F)F)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248111	0	40	-1.0	-48.99	337.06	-0.00	-48.99
O=C(NC1=CC=C(OC(F)F)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248111	1	40	-1.0	-48.98	336.99	-0.01	-48.99
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C(C)C=C1C	REAL300020248112	0	47	-1.0	-47.67	365.00	3.47	-44.20
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C(C)C=C1C	REAL300020248112	1	47	-1.0	-47.69	365.07	3.47	-44.22
CCC(C)C1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248113	0	47	-1.0	-44.85	368.85	2.39	-42.46
CCC(C)C1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248113	1	47	-1.0	-44.86	368.91	2.39	-42.47
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248114	0	37	-1.0	-45.72	314.27	1.10	-44.62
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248114	1	37	-1.0	-45.67	314.20	1.08	-44.59
O=C(NC1=CC=C(C2=CC=CO2)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248115	0	44	-1.0	-49.02	363.73	4.33	-44.69
O=C(NC1=CC=C(C2=CC=CO2)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248115	1	44	-1.0	-49.01	363.80	4.35	-44.66
O=C(NC1=CC=CC=C1OC(F)(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248116	0	41	-1.0	-48.56	343.46	2.44	-46.12
O=C(NC1=CC=CC=C1OC(F)(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248116	1	41	-1.0	-48.58	343.53	2.46	-46.12
O=C(NC1=CC=CC=C1OCC(F)(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248117	0	44	-1.0	-53.53	367.25	3.40	-50.13
O=C(NC1=CC=CC=C1OCC(F)(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248117	1	44	-1.0	-53.55	367.32	3.40	-50.15
COC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248118	0	43	-1.0	-51.77	358.78	3.27	-48.50
COC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248118	1	43	-1.0	-51.78	358.85	3.28	-48.50
O=C(NC1=CC=C(N2C=CC=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248119	0	44	-1.0	-50.02	356.80	3.74	-46.28
O=C(NC1=CC=C(N2C=CC=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248119	1	44	-1.0	-50.03	356.73	3.74	-46.29
O=C(NC1=CC(Cl)=CC2=CC=CN=C21)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248120	0	42	-1.0	-52.61	355.37	3.54	-49.07
O=C(NC1=CC(Cl)=CC2=CC=CN=C21)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248120	1	42	-1.0	-52.59	355.29	3.54	-49.05
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020248121	0	41	-1.0	-47.79	333.21	1.91	-45.88
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020248121	1	41	-1.0	-47.79	333.27	1.93	-45.86
NC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020248122	0	41	-1.0	-48.93	336.59	-0.56	-49.49
NC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020248122	1	41	-1.0	-48.97	336.65	-0.54	-49.51
NC(=O)COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248123	0	45	-1.0	-54.61	365.93	0.03	-54.58
NC(=O)COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248123	1	45	-1.0	-54.58	365.98	0.04	-54.54
CN(C)C(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248124	0	47	-1.0	-60.94	371.14	2.60	-58.34
CN(C)C(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248124	1	47	-1.0	-60.96	371.21	2.61	-58.35
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C(C)C)=C1	REAL300020248125	0	55	-1.0	-47.16	414.79	6.53	-40.63
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C(C)C)=C1	REAL300020248125	1	55	-1.0	-47.23	414.85	6.53	-40.70
COCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248126	0	44	-1.0	-47.92	352.55	2.28	-45.64
COCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248126	1	44	-1.0	-47.93	352.61	2.30	-45.63
CC1=NN=NN1C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248127	0	45	-1.0	-55.72	364.87	2.57	-53.15
CC1=NN=NN1C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248127	1	45	-1.0	-55.70	364.92	2.59	-53.11
COC(=O)C1=C(F)C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020248128	0	43	-1.0	-46.04	367.03	3.34	-42.70
COC(=O)C1=C(F)C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020248128	1	43	-1.0	-46.03	367.10	3.35	-42.68
O=C(NC1=CC=C(OC(F)F)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248129	0	41	-1.0	-49.22	343.18	2.14	-47.08
O=C(NC1=CC=C(OC(F)F)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248129	1	41	-1.0	-49.20	343.26	2.15	-47.05
O=C(C(=O)N1CCCCC1C1=N[N-]N=N1)N1CCC2=CC(F)=CC=C21	REAL300020248130	0	41	-1.0	-44.97	325.51	4.86	-40.11
O=C(C(=O)N1CCCCC1C1=NN=N[N-]1)N1CCC2=CC(F)=CC=C21	REAL300020248130	1	41	-1.0	-44.98	325.56	4.89	-40.09
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248131	0	53	-1.0	-53.93	409.57	3.06	-50.87
CC(C)(C)NC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248131	1	53	-1.0	-53.90	409.63	3.08	-50.82
O=C(NC1=CC=C(CN2CCCC2=O)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248132	0	51	-1.0	-54.34	405.29	4.39	-49.95
O=C(NC1=CC=C(CN2CCCC2=O)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248132	1	51	-1.0	-54.33	405.35	4.39	-49.94
CC1=NOC(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248133	0	45	-1.0	-55.34	366.14	2.14	-53.20
CC1=NOC(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248133	1	45	-1.0	-55.33	366.07	2.13	-53.20
O=C(NC1=CC=CC=C1CN1C=NC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248134	0	46	-1.0	-57.21	371.66	6.05	-51.16
O=C(NC1=CC=CC=C1CN1C=NC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248134	1	46	-1.0	-57.22	371.59	6.03	-51.19
CC(C)C1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248135	0	44	-1.0	-44.91	350.45	1.75	-43.16
CC(C)C1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248135	1	44	-1.0	-44.92	350.51	1.75	-43.17
CCC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248136	0	43	-1.0	-47.96	342.79	1.61	-46.35
CCC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248136	1	43	-1.0	-47.97	342.85	1.61	-46.36
CN1C(=O)COC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020248137	0	46	-1.0	-49.05	365.58	1.55	-47.50
CN1C(=O)COC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020248137	1	46	-1.0	-49.10	365.64	1.57	-47.53
O=C(NC1=CC=C(C2CCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248138	0	47	-1.0	-46.70	364.13	5.13	-41.57
O=C(NC1=CC=C(C2CCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248138	1	47	-1.0	-46.72	364.21	5.14	-41.58
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248139	0	50	-1.0	-51.97	388.17	2.03	-49.94
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248139	1	50	-1.0	-51.92	388.24	2.03	-49.89
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC=C1N1CCNC1=O	REAL300020248140	0	50	-1.0	-55.54	393.79	2.79	-52.75
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC=C1N1CCNC1=O	REAL300020248140	1	50	-1.0	-55.59	393.86	2.81	-52.78
CN1N=C(C2=CC=CO2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248141	0	44	-1.0	-48.62	361.51	2.83	-45.79
CN1N=C(C2=CC=CO2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248141	1	44	-1.0	-48.63	361.45	2.81	-45.82
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248142	0	50	-1.0	-50.33	392.46	4.36	-45.97
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248142	1	50	-1.0	-50.33	392.42	4.35	-45.98
CCC1=CC(C)=CC(CC)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248143	0	52	-1.0	-47.39	391.79	6.15	-41.24
CCC1=CC(C)=CC(CC)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248143	1	52	-1.0	-47.37	391.86	6.15	-41.22
O=C(NC1=CC=C2OCCC(=O)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248144	0	44	-1.0	-52.02	353.51	2.29	-49.73
O=C(NC1=CC=C2OCCC(=O)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248144	1	44	-1.0	-52.02	353.57	2.31	-49.71
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1N1CCNC1=O	REAL300020248145	0	50	-1.0	-56.27	396.39	2.45	-53.82
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1N1CCNC1=O	REAL300020248145	1	50	-1.0	-56.22	396.43	2.47	-53.75
CC(C)(C)NC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248146	0	51	-1.0	-47.18	380.99	3.32	-43.86
CC(C)(C)NC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248146	1	51	-1.0	-47.26	381.05	3.34	-43.92
O=C(NC1=CC=C(N2CCC2=O)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248147	0	45	-1.0	-54.80	362.23	2.99	-51.81
O=C(NC1=CC=C(N2CCC2=O)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248147	1	45	-1.0	-54.82	362.29	3.01	-51.81
CN(C)CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020248148	0	48	-1.0	-44.85	389.19	2.48	-42.37
CN(C)CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020248148	1	48	-1.0	-44.87	389.24	2.49	-42.38
C[NH+](C)CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020248148	1	49	0.0	-64.03	390.16	5.03	-59.00
C[NH+](C)CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020248148	1	49	0.0	-64.05	390.23	5.05	-59.00
O=C(NC1=CC=C2C=CNC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248149	0	41	-1.0	-49.66	329.78	2.58	-47.08
O=C(NC1=CC=C2C=CNC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248149	1	41	-1.0	-49.66	329.85	2.59	-47.07
CC(C)N1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248150	0	43	-1.0	-51.70	340.62	2.56	-49.14
CC(C)N1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248150	1	43	-1.0	-51.66	340.56	2.55	-49.11
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248151	0	50	-1.0	-47.97	403.14	4.41	-43.56
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248151	1	50	-1.0	-48.01	403.07	4.40	-43.61
C[NH+]1CCC(N2C=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)CC1	REAL300020248152	0	53	0.0	-81.57	400.90	4.25	-77.32
C[NH+]1CCC(N2C=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)CC1	REAL300020248152	1	53	0.0	-81.63	400.84	4.24	-77.39
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248153	0	42	-2.0	-111.73	360.28	3.63	-108.10
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248153	1	42	-2.0	-111.72	360.22	3.63	-108.09
O=C(NC1=NC=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248153	1	43	-1.0	-48.50	362.23	4.86	-43.64
O=C(NC1=NC=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248153	1	43	-1.0	-48.45	362.17	4.84	-43.61
O=C([N-]C1=NC2=C(CCCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248154	0	42	-2.0	-113.70	345.99	2.47	-111.23
O=C([N-]C1=NC2=C(CCCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248154	1	42	-2.0	-113.71	346.05	2.49	-111.22
O=C(NC1=NC2=C(CCCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248154	1	43	-1.0	-49.07	348.60	3.59	-45.48
O=C(NC1=NC2=C(CCCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248154	1	43	-1.0	-49.05	348.66	3.61	-45.44
O=C(NC1=CC(Cl)=C(Cl)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248155	0	37	-1.0	-44.32	335.89	3.59	-40.73
O=C(NC1=CC(Cl)=C(Cl)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248155	1	37	-1.0	-44.33	335.96	3.59	-40.74
CC1=CC=C(N2CCOCC2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248156	0	53	-1.0	-48.29	400.72	2.15	-46.14
CC1=CC=C(N2CCOCC2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248156	1	53	-1.0	-48.25	400.79	2.17	-46.08
CC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248157	0	38	-2.0	-110.76	320.85	0.77	-109.99
CC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248157	1	38	-2.0	-110.79	320.91	0.79	-110.00
CC1=C(C)SC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248157	1	39	-1.0	-48.52	323.46	1.88	-46.64
CC1=C(C)SC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248157	1	39	-1.0	-48.54	323.52	1.90	-46.64
O=C([N-]C1=NC(C2CC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248158	0	39	-2.0	-109.37	330.42	1.69	-107.68
O=C([N-]C1=NC(C2CC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248158	1	39	-2.0	-109.36	330.48	1.70	-107.66
O=C(NC1=NC(C2CC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248158	1	40	-1.0	-47.78	333.03	2.80	-44.98
O=C(NC1=NC(C2CC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248158	1	40	-1.0	-47.80	333.08	2.82	-44.98
CCC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248159	0	41	-2.0	-111.31	342.79	1.51	-109.80
CCC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248159	1	41	-2.0	-111.40	342.85	1.53	-109.87
CCC1=C(C)SC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248159	1	42	-1.0	-48.58	345.40	2.62	-45.96
CCC1=C(C)SC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248159	1	42	-1.0	-48.57	345.45	2.64	-45.93
CCC1CCC2=C(C1)SC([N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)=N2	REAL300020248160	0	48	-2.0	-113.45	385.56	3.74	-109.71
CCC1CCC2=C(C1)SC([N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)=N2	REAL300020248160	1	48	-2.0	-113.42	385.62	3.75	-109.67
CCC1CCC2=C(C1)SC(NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)=N2	REAL300020248160	1	49	-1.0	-48.55	388.17	4.86	-43.69
CCC1CCC2=C(C1)SC(NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)=N2	REAL300020248160	1	49	-1.0	-48.53	388.22	4.87	-43.66
CC(C)(C)N1C=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248161	0	48	-1.0	-48.31	375.74	5.45	-42.86
CC(C)(C)N1C=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248161	1	48	-1.0	-48.27	375.79	5.48	-42.79
O=C([N-]C1=NC2=C(CCCCCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248162	0	48	-2.0	-115.08	371.94	3.33	-111.75
O=C([N-]C1=NC2=C(CCCCCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248162	1	48	-2.0	-115.05	372.00	3.35	-111.70
O=C(NC1=NC2=C(CCCCCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248162	1	49	-1.0	-49.10	374.55	4.44	-44.66
O=C(NC1=NC2=C(CCCCCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248162	1	49	-1.0	-49.11	374.61	4.46	-44.65
O=C([N-]C1=NC2=C(CCCCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248163	0	45	-2.0	-113.44	361.30	2.62	-110.82
O=C([N-]C1=NC2=C(CCCCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248163	1	45	-2.0	-113.49	361.36	2.64	-110.85
O=C(NC1=NC2=C(CCCCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248163	1	46	-1.0	-48.72	363.91	3.74	-44.98
O=C(NC1=NC2=C(CCCCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248163	1	46	-1.0	-48.75	363.97	3.76	-44.99
CC(C)(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248164	0	44	-2.0	-111.32	363.87	2.60	-108.72
CC(C)(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248164	1	44	-2.0	-111.37	363.81	2.61	-108.76
CC(C)(C)C1=CN=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248164	1	45	-1.0	-47.69	365.81	3.84	-43.85
CC(C)(C)C1=CN=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248164	1	45	-1.0	-47.66	365.76	3.83	-43.83
O=C([N-]C1=NC(C2CCC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248165	0	42	-2.0	-109.88	346.67	2.06	-107.82
O=C([N-]C1=NC(C2CCC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248165	1	42	-2.0	-109.86	346.73	2.07	-107.79
O=C(NC1=NC(C2CCC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248165	1	43	-1.0	-47.76	349.28	3.18	-44.58
O=C(NC1=NC(C2CCC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248165	1	43	-1.0	-47.73	349.33	3.19	-44.54
CC(C)(C)CC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248166	0	47	-2.0	-108.87	377.91	3.18	-105.69
CC(C)(C)CC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248166	1	47	-2.0	-108.91	377.97	3.19	-105.72
CC(C)(C)CC1=CSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248166	1	48	-1.0	-47.32	380.51	4.30	-43.02
CC(C)(C)CC1=CSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248166	1	48	-1.0	-47.28	380.57	4.31	-42.97
CCCC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248167	0	41	-2.0	-108.80	344.68	1.66	-107.14
CCCC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248167	1	41	-2.0	-108.82	344.74	1.67	-107.15
CCCC1=CSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248167	1	42	-1.0	-47.65	347.29	2.78	-44.87
CCCC1=CSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248167	1	42	-1.0	-47.71	347.34	2.79	-44.92
COC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248168	0	44	-1.0	-50.68	343.74	3.94	-46.74
COC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248168	1	44	-1.0	-50.70	343.81	3.95	-46.75
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=NN1C1CCCC1	REAL300020248169	0	50	-1.0	-48.81	384.15	3.68	-45.13
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=NN1C1CCCC1	REAL300020248169	1	50	-1.0	-48.83	384.20	3.68	-45.15
O=C(NC1=CN=CC(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248170	0	36	-1.0	-44.16	298.80	0.87	-43.29
O=C(NC1=CN=CC(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248170	1	36	-1.0	-44.13	298.75	0.86	-43.27
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020248171	0	41	-1.0	-44.98	343.01	2.41	-42.57
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020248171	1	41	-1.0	-44.99	343.06	2.42	-42.57
O=C(NC1=NN(C2CCCCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248172	0	50	-1.0	-50.98	382.25	4.42	-46.56
O=C(NC1=NN(C2CCCCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248172	1	50	-1.0	-51.02	382.19	4.42	-46.60
COCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248173	0	44	-1.0	-47.50	352.55	2.28	-45.22
COCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248173	1	44	-1.0	-47.50	352.60	2.30	-45.20
CC1(C2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=NO2)CCCC1	REAL300020248174	0	49	-1.0	-48.34	378.32	4.78	-43.56
CC1(C2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=NO2)CCCC1	REAL300020248174	1	49	-1.0	-48.36	378.27	4.77	-43.59
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248175	0	46	-1.0	-51.45	376.93	3.51	-47.94
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248175	1	46	-1.0	-51.48	377.00	3.51	-47.97
CCN1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C(F)(F)F	REAL300020248176	0	43	-1.0	-46.71	352.95	1.92	-44.79
CCN1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C(F)(F)F	REAL300020248176	1	43	-1.0	-46.67	352.89	1.92	-44.75
COC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020248177	0	48	-1.0	-48.49	378.97	1.76	-46.73
COC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020248177	1	48	-1.0	-48.49	379.02	1.77	-46.72
CN1N=CN=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248178	0	36	-1.0	-46.91	296.34	3.51	-43.40
CN1N=CN=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248178	1	36	-1.0	-46.92	296.28	3.48	-43.44
CN1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248178	1	35	-2.0	-105.43	295.13	2.38	-103.05
CN1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248178	1	35	-2.0	-105.45	295.07	2.36	-103.09
O=C(NC1=CNN=C1C1=NC=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248179	0	40	-1.0	-52.18	341.38	0.11	-52.07
O=C(NC1=CNN=C1C1=NC=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248179	1	40	-1.0	-52.15	341.44	0.12	-52.03
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248180	0	39	-2.0	-114.21	327.50	2.06	-112.15
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248180	1	39	-2.0	-114.20	327.55	2.07	-112.13
O=C(NC1=NC2=C(CCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248180	1	40	-1.0	-49.92	330.71	3.01	-46.91
O=C(NC1=NC2=C(CCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248180	1	40	-1.0	-49.91	330.77	3.03	-46.88
O=C([N-]C1=NC(C2=CC=CO2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248181	0	39	-2.0	-109.55	343.13	1.35	-108.20
O=C([N-]C1=NC(C2=CC=CO2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248181	1	39	-2.0	-109.52	343.07	1.34	-108.18
O=C(NC1=NC(C2=CC=CO2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248181	1	40	-1.0	-48.78	345.74	2.45	-46.33
O=C(NC1=NC(C2=CC=CO2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248181	1	40	-1.0	-48.77	345.68	2.44	-46.33
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1OC(C)C	REAL300020248182	0	50	-1.0	-46.40	386.83	4.15	-42.25
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1OC(C)C	REAL300020248182	1	50	-1.0	-46.39	386.89	4.17	-42.22
COC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020248183	0	47	-1.0	-47.53	364.98	3.44	-44.09
COC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020248183	1	47	-1.0	-47.54	365.05	3.45	-44.09
CC1=NC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248184	0	39	-1.0	-44.16	328.73	1.97	-42.19
CC1=NC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248184	1	39	-1.0	-44.17	328.80	1.98	-42.19
COC1=CC(SC)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248185	0	45	-1.0	-49.33	367.00	2.90	-46.43
COC1=CC(SC)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248185	1	45	-1.0	-49.29	367.07	2.90	-46.39
COC(=O)CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020248186	0	46	-1.0	-53.48	375.74	1.85	-51.63
COC(=O)CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020248186	1	46	-1.0	-53.50	375.80	1.85	-51.65
COC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248187	0	41	-1.0	-50.91	333.57	-1.81	-52.72
COC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248187	1	41	-1.0	-50.94	333.52	-1.82	-52.76
CNC(=O)C1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2N1	REAL300020248188	0	48	-1.0	-53.53	388.70	0.74	-52.79
CNC(=O)C1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2N1	REAL300020248188	1	48	-1.0	-53.56	388.77	0.77	-52.79
O=C(NC1=CC=CC=C1N1CC2CCC1C2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248189	0	53	-1.0	-49.69	388.40	4.06	-45.63
O=C(NC1=CC=CC=C1N1CC2CCC1C2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248189	1	53	-1.0	-49.72	388.46	4.08	-45.64
COC1CCOC2=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020248190	0	49	-1.0	-50.60	382.74	2.27	-48.33
COC1CCOC2=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020248190	1	49	-1.0	-50.61	382.80	2.29	-48.32
O=C(NC1=CC=CC(N2CCC2=O)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248191	0	45	-1.0	-59.99	362.86	2.89	-57.10
O=C(NC1=CC=CC(N2CCC2=O)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248191	1	45	-1.0	-59.99	362.92	2.90	-57.09
O=C(NC1=CC=C(Cl)C=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248192	0	36	-1.0	-47.18	311.40	2.68	-44.50
O=C(NC1=CC=C(Cl)C=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248192	1	36	-1.0	-47.22	311.33	2.68	-44.54
O=C(NC1=CC=C(F)C=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248193	0	36	-1.0	-47.42	301.07	2.25	-45.17
O=C(NC1=CC=C(F)C=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248193	1	36	-1.0	-47.48	301.00	2.25	-45.23
O=C(NC1=CC=CC(Br)=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248194	0	36	-1.0	-49.81	316.18	2.71	-47.10
O=C(NC1=CC=CC(Br)=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248194	1	36	-1.0	-49.79	316.11	2.70	-47.09
CC1=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Br	REAL300020248195	0	39	-1.0	-47.38	334.36	3.32	-44.06
CC1=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Br	REAL300020248195	1	39	-1.0	-47.40	334.43	3.33	-44.07
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=C1	REAL300020248196	0	37	-1.0	-48.44	315.47	2.59	-45.85
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=C1	REAL300020248196	1	37	-1.0	-48.44	315.40	2.58	-45.86
CC1=CC(C)=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248197	0	42	-1.0	-50.58	337.67	3.45	-47.13
CC1=CC(C)=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248197	1	42	-1.0	-50.59	337.75	3.45	-47.14
O=C(NC1=CC(C(F)(F)F)=CC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248198	0	39	-1.0	-48.04	333.77	3.22	-44.82
O=C(NC1=CC(C(F)(F)F)=CC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248198	1	39	-1.0	-48.03	333.70	3.20	-44.83
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NC=C1Br	REAL300020248199	0	39	-1.0	-47.12	334.48	3.40	-43.72
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NC=C1Br	REAL300020248199	1	39	-1.0	-47.10	334.55	3.42	-43.68
O=C(NC1=CC=C2SN=CC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248200	0	39	-1.0	-46.00	330.21	2.73	-43.27
O=C(NC1=CC=C2SN=CC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248200	1	39	-1.0	-46.01	330.14	2.71	-43.30
CC(C)(O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248201	0	47	-1.0	-47.85	364.58	1.36	-46.49
CC(C)(O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248201	1	47	-1.0	-47.80	364.64	1.37	-46.43
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL300020248202	0	40	-1.0	-49.87	338.25	1.32	-48.55
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL300020248202	1	40	-1.0	-49.86	338.19	1.33	-48.53
CC(C)CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248203	0	47	-1.0	-44.80	369.70	2.53	-42.27
CC(C)CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248203	1	47	-1.0	-44.79	369.76	2.54	-42.25
COC(=O)C1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1F	REAL300020248204	0	43	-1.0	-49.99	363.29	3.27	-46.72
COC(=O)C1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1F	REAL300020248204	1	43	-1.0	-50.01	363.37	3.27	-46.74
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1OC	REAL300020248205	0	47	-1.0	-48.49	379.46	3.27	-45.22
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1OC	REAL300020248205	1	47	-1.0	-48.51	379.52	3.29	-45.22
CCC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=NN1C(CC)CC	REAL300020248206	0	55	-1.0	-48.52	417.19	4.43	-44.09
CCC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=NN1C(CC)CC	REAL300020248206	1	55	-1.0	-48.51	417.25	4.44	-44.07
CCCCN1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C(C)C	REAL300020248207	0	55	-1.0	-48.44	417.69	4.72	-43.72
CCCCN1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C(C)C	REAL300020248207	1	55	-1.0	-48.41	417.74	4.72	-43.69
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248208	0	47	-1.0	-49.19	375.39	4.62	-44.57
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248208	1	47	-1.0	-49.19	375.32	4.61	-44.58
O=C(NC1=CC=CC2=C1CCO2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248209	0	42	-1.0	-47.14	333.93	2.37	-44.77
O=C(NC1=CC=CC2=C1CCO2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248209	1	42	-1.0	-47.11	334.00	2.38	-44.73
CCC(C)N1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020248210	0	49	-1.0	-48.57	379.29	2.97	-45.60
CCC(C)N1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020248210	1	49	-1.0	-48.54	379.35	2.96	-45.58
COC1=CC(C(F)(F)F)=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248211	0	43	-1.0	-46.23	362.65	1.17	-45.06
COC1=CC(C(F)(F)F)=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248211	1	43	-1.0	-46.25	362.58	1.16	-45.09
CC1=NC(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CS1	REAL300020248212	0	46	-1.0	-54.16	379.83	4.88	-49.28
CC1=NC(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CS1	REAL300020248212	1	46	-1.0	-54.41	377.76	4.84	-49.57
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020248213	0	44	-1.0	-44.88	364.42	2.94	-41.94
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020248213	1	44	-1.0	-44.90	364.48	2.96	-41.94
CCC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248214	0	52	-1.0	-46.42	388.22	5.41	-41.01
CCC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248214	1	52	-1.0	-46.44	388.28	5.42	-41.02
CN1C(=O)CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020248215	0	45	-1.0	-48.82	361.23	2.97	-45.85
CN1C(=O)CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020248215	1	45	-1.0	-48.82	361.30	2.99	-45.83
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248216	0	49	-1.0	-51.08	384.68	5.05	-46.03
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248216	1	49	-1.0	-51.08	384.62	5.04	-46.04
CC1=CC=C(C2=CC=C(C)C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)O1	REAL300020248217	0	50	-1.0	-51.62	397.03	5.93	-45.69
CC1=CC=C(C2=CC=C(C)C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)O1	REAL300020248217	1	50	-1.0	-51.59	397.11	5.92	-45.67
CN1N=C(C2CCCOC2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248218	0	51	-1.0	-46.09	393.22	2.49	-43.60
CN1N=C(C2CCCOC2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248218	1	51	-1.0	-46.10	393.28	2.50	-43.60
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248219	0	35	-2.0	-108.02	302.04	0.11	-107.91
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248219	1	35	-2.0	-108.02	302.10	0.10	-107.92
CC1=CSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248219	1	36	-1.0	-47.70	304.64	1.22	-46.48
CC1=CSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248219	1	36	-1.0	-47.67	304.70	1.23	-46.44
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(N2C=CC=N2)=C1	REAL300020248220	0	48	-1.0	-51.94	386.81	3.07	-48.87
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(N2C=CC=N2)=C1	REAL300020248220	1	48	-1.0	-51.91	386.72	3.06	-48.85
CN1N=C(C2CCCO2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248221	0	48	-1.0	-47.68	376.83	2.03	-45.65
CN1N=C(C2CCCO2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248221	1	48	-1.0	-47.66	376.89	2.03	-45.63
O=C(NC1=CC(Cl)=C(F)C(Cl)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248222	0	37	-1.0	-42.50	336.72	3.68	-38.82
O=C(NC1=CC(Cl)=C(F)C(Cl)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248222	1	37	-1.0	-42.53	336.79	3.68	-38.85
CC1=CC=C(CN2N=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)O1	REAL300020248223	0	47	-1.0	-49.01	383.29	3.98	-45.03
CC1=CC=C(CN2N=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)O1	REAL300020248223	1	47	-1.0	-48.98	383.23	3.98	-45.00
O=C(NC1=CC=NN1CC1=CC=C(F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248224	0	47	-1.0	-46.67	385.47	5.13	-41.54
O=C(NC1=CC=NN1CC1=CC=C(F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248224	1	47	-1.0	-46.64	385.42	5.12	-41.52
O=C([N-]C1=CN=NS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248225	0	31	-2.0	-94.83	275.91	-2.00	-96.83
O=C([N-]C1=CN=NS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248225	1	31	-2.0	-94.85	275.85	-2.01	-96.86
CC1=CC=NC(N2N=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248226	0	46	-1.0	-52.49	372.01	4.97	-47.52
CC1=CC=NC(N2N=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248226	1	46	-1.0	-52.50	371.95	4.97	-47.53
CC1=CC(C)=NC(N2N=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248227	0	48	-1.0	-54.19	388.11	6.13	-48.06
CC1=CC(C)=NC(N2N=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248227	1	48	-1.0	-54.16	388.06	6.12	-48.04
CC1(C)CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2O1	REAL300020248228	0	48	-1.0	-52.38	375.51	3.76	-48.62
CC1(C)CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2O1	REAL300020248228	1	48	-1.0	-52.40	375.58	3.78	-48.62
O=C(NC1=CC=CC(F)=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248229	0	37	-1.0	-48.34	318.79	3.11	-45.23
O=C(NC1=CC=CC(F)=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248229	1	37	-1.0	-48.30	318.86	3.13	-45.17
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248230	0	47	-1.0	-48.83	371.70	5.97	-42.86
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248230	1	47	-1.0	-48.89	371.76	5.99	-42.90
O=C([N-]C1=NC(C2CCOCC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248231	0	46	-2.0	-108.62	373.84	0.85	-107.77
O=C([N-]C1=NC(C2CCOCC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248231	1	46	-2.0	-108.66	373.90	0.87	-107.79
O=C(NC1=NC(C2CCOCC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248231	1	47	-1.0	-47.58	376.44	1.97	-45.61
O=C(NC1=NC(C2CCOCC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248231	1	47	-1.0	-47.59	376.50	1.98	-45.61
O=C(NC1=CC=CC2=C1CNC2=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248232	0	42	-1.0	-48.00	340.32	0.01	-47.99
O=C(NC1=CC=CC2=C1CNC2=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248232	1	42	-1.0	-47.96	340.39	0.01	-47.95
O=C(NC1=CC(C(F)F)=CC=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248233	0	40	-1.0	-51.92	347.22	4.07	-47.85
O=C(NC1=CC(C(F)F)=CC=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248233	1	40	-1.0	-51.97	347.29	4.08	-47.89
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC=C1C	REAL300020248234	0	43	-1.0	-50.92	364.63	2.87	-48.05
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC=C1C	REAL300020248234	1	43	-1.0	-50.96	364.68	2.89	-48.07
O=C(NC1=NN2CCCCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248235	0	44	-1.0	-52.31	342.16	2.86	-49.45
O=C(NC1=NN2CCCCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248235	1	44	-1.0	-52.31	342.22	2.86	-49.45
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020248236	0	43	-1.0	-45.88	354.11	4.41	-41.47
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020248236	1	43	-1.0	-45.93	354.16	4.42	-41.51
CN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1=O	REAL300020248237	0	46	-1.0	-58.41	369.11	3.64	-54.77
CN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1=O	REAL300020248237	1	46	-1.0	-58.39	369.17	3.66	-54.73
CCN(C)C(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248238	0	50	-1.0	-57.73	390.15	3.44	-54.29
CCN(C)C(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248238	1	50	-1.0	-57.77	390.22	3.45	-54.32
COC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1C	REAL300020248239	0	50	-1.0	-47.64	379.48	4.22	-43.42
COC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1C	REAL300020248239	1	50	-1.0	-47.64	379.54	4.24	-43.40
CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL300020248240	0	47	-1.0	-49.69	373.64	3.65	-46.04
CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL300020248240	1	47	-1.0	-49.67	373.57	3.64	-46.03
COCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248241	0	39	-2.0	-110.08	337.26	-0.07	-110.15
COCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248241	1	39	-2.0	-110.04	337.21	-0.08	-110.12
COCC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248241	1	40	-1.0	-48.90	340.53	0.93	-47.97
COCC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248241	1	40	-1.0	-48.91	340.47	0.93	-47.98
CC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020248242	0	42	-1.0	-47.57	344.85	3.13	-44.44
CC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020248242	1	42	-1.0	-47.61	344.91	3.14	-44.47
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C(Cl)C=C1F	REAL300020248243	0	40	-1.0	-45.38	338.47	3.88	-41.50
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C(Cl)C=C1F	REAL300020248243	1	40	-1.0	-45.39	338.54	3.88	-41.51
O=C(NC1=CC=C(C(F)(F)F)NC1=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248244	0	40	-1.0	-55.38	343.66	1.25	-54.13
O=C(NC1=CC=C(C(F)(F)F)NC1=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248244	1	40	-1.0	-55.35	343.72	1.24	-54.11
CC1=NN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)C=C1	REAL300020248245	0	47	-1.0	-50.42	378.67	4.32	-46.10
CC1=NN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)C=C1	REAL300020248245	1	47	-1.0	-50.42	378.74	4.34	-46.08
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=N1	REAL300020248246	0	40	-1.0	-46.91	324.59	-0.69	-47.60
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=N1	REAL300020248246	1	40	-1.0	-46.92	324.53	-0.70	-47.62
CCC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020248247	0	43	-1.0	-44.46	345.93	4.01	-40.45
CCC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020248247	1	43	-1.0	-44.43	345.99	4.03	-40.40
CN1NC=C2C1=NC=CC2=NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248248	0	42	-1.0	-73.00	345.10	0.68	-72.32
CN1NC=C2C1=NC=CC2=NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248248	1	42	-1.0	-73.04	345.16	0.69	-72.35
CN1[N-]C=C2C1=NC=CC2=NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248248	1	41	-2.0	-104.47	340.74	0.58	-103.89
CN1[N-]C=C2C1=NC=CC2=NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248248	1	41	-2.0	-104.46	340.81	0.58	-103.88
COC1=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300020248249	0	47	-1.0	-48.01	373.03	4.13	-43.88
COC1=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300020248249	1	47	-1.0	-48.04	373.09	4.14	-43.90
O=C([N-]C1=NC(C2=CC=CC=N2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248250	0	41	-2.0	-111.39	356.07	1.64	-109.75
O=C([N-]C1=NC(C2=CC=CC=N2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248250	1	41	-2.0	-111.44	356.13	1.65	-109.79
O=C(NC1=NC(C2=CC=CC=N2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248250	1	42	-1.0	-48.76	358.68	2.73	-46.03
O=C(NC1=NC(C2=CC=CC=N2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248250	1	42	-1.0	-48.79	358.74	2.74	-46.05
CC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248251	0	41	-2.0	-109.38	341.43	1.38	-108.00
CC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248251	1	41	-2.0	-109.40	341.49	1.38	-108.02
CC(C)C1=CSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248251	1	42	-1.0	-47.71	344.03	2.50	-45.21
CC(C)C1=CSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248251	1	42	-1.0	-47.74	344.09	2.50	-45.24
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248252	0	45	-2.0	-110.00	383.19	3.89	-106.11
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248252	1	45	-2.0	-109.99	383.25	3.89	-106.10
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248252	1	46	-1.0	-49.49	385.79	5.01	-44.48
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248252	1	46	-1.0	-49.49	385.85	5.01	-44.48
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N(C)N=C1C(F)(F)F	REAL300020248253	0	43	-1.0	-43.45	358.34	2.37	-41.08
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N(C)N=C1C(F)(F)F	REAL300020248253	1	43	-1.0	-43.47	358.27	2.37	-41.10
O=C([N-]C1=NC2=C(CSCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248254	0	40	-2.0	-108.16	344.60	1.79	-106.37
O=C([N-]C1=NC2=C(CSCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248254	1	40	-2.0	-108.14	344.66	1.81	-106.33
O=C(NC1=NC2=C(CSCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248254	1	41	-1.0	-47.23	347.20	2.91	-44.32
O=C(NC1=NC2=C(CSCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248254	1	41	-1.0	-47.22	347.26	2.93	-44.29
O=C(NC1=CC=CC(Cl)=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248255	0	36	-1.0	-49.93	311.59	2.63	-47.30
O=C(NC1=CC=CC(Cl)=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248255	1	36	-1.0	-49.95	311.52	2.62	-47.33
O=C(NC1=CC=CC(F)=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248256	0	36	-1.0	-50.86	301.14	2.17	-48.69
O=C(NC1=CC=CC(F)=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248256	1	36	-1.0	-50.86	301.07	2.16	-48.70
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=N1	REAL300020248257	0	39	-1.0	-50.10	321.89	-0.86	-50.96
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=N1	REAL300020248257	1	39	-1.0	-50.12	321.82	-0.87	-50.99
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=C1Br	REAL300020248258	0	39	-1.0	-50.00	334.41	3.28	-46.72
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=C1Br	REAL300020248258	1	39	-1.0	-50.01	334.33	3.26	-46.75
O=C([N-]C1=NC=C(C(F)(F)F)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248259	0	35	-2.0	-100.30	323.18	1.13	-99.17
O=C([N-]C1=NC=C(C(F)(F)F)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248259	1	35	-2.0	-100.27	323.13	1.12	-99.15
O=C(NC1=NC=C(C(F)(F)F)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248259	1	36	-1.0	-44.61	325.79	2.25	-42.36
O=C(NC1=NC=C(C(F)(F)F)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248259	1	36	-1.0	-44.58	325.73	2.24	-42.34
CCOC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020248260	0	47	-1.0	-46.46	368.89	3.53	-42.93
CCOC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020248260	1	47	-1.0	-46.45	368.95	3.54	-42.91
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(S(C)(=O)=O)=C1	REAL300020248261	0	46	-1.0	-53.71	374.20	1.41	-52.30
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(S(C)(=O)=O)=C1	REAL300020248261	1	46	-1.0	-53.68	374.27	1.44	-52.24
CC(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248262	0	48	-1.0	-48.39	379.71	4.39	-44.00
CC(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248262	1	48	-1.0	-48.39	379.77	4.41	-43.98
CC(C)OC1=NC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248263	0	46	-1.0	-46.77	383.15	1.65	-45.12
CC(C)OC1=NC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248263	1	46	-1.0	-46.76	383.08	1.62	-45.14
O=C(NC1=CC=C(OC2CC(=O)N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248264	0	46	-1.0	-52.15	373.30	-1.72	-53.87
O=C(NC1=CC=C(OC2CC(=O)N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248264	1	46	-1.0	-52.18	373.37	-1.71	-53.89
CS(=O)(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020248265	0	43	-1.0	-53.26	362.56	0.10	-53.16
CS(=O)(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020248265	1	43	-1.0	-53.25	362.61	0.12	-53.13
CC1=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C#N	REAL300020248266	0	40	-1.0	-47.93	334.82	3.05	-44.88
CC1=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C#N	REAL300020248266	1	40	-1.0	-47.89	334.90	3.07	-44.82
CC(C)(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248267	0	44	-2.0	-109.96	361.08	2.10	-107.86
CC(C)(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248267	1	44	-2.0	-109.95	361.02	2.10	-107.85
CC(C)(C)C1=CSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248267	1	45	-1.0	-47.77	363.68	3.21	-44.56
CC(C)(C)C1=CSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248267	1	45	-1.0	-47.75	363.62	3.21	-44.54
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248268	0	35	-2.0	-103.28	302.51	-0.26	-103.54
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248268	1	35	-2.0	-103.28	302.57	-0.24	-103.52
CC1=NSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248268	1	36	-1.0	-45.17	304.86	0.82	-44.35
CC1=NSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248268	1	36	-1.0	-45.17	304.93	0.83	-44.34
COC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248269	0	41	-1.0	-49.39	342.55	2.43	-46.96
COC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248269	1	41	-1.0	-49.43	342.61	2.44	-46.99
CC(C)C1=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC=N1	REAL300020248270	0	41	-2.0	-104.06	343.48	0.77	-103.29
CC(C)C1=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC=N1	REAL300020248270	1	41	-2.0	-104.08	343.54	0.78	-103.30
CC(C)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC=N1	REAL300020248270	1	42	-1.0	-45.97	344.14	1.72	-44.25
CC(C)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC=N1	REAL300020248270	1	42	-1.0	-45.97	344.20	1.72	-44.25
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1F	REAL300020248271	0	43	-1.0	-55.13	356.81	3.17	-51.96
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1F	REAL300020248271	1	43	-1.0	-55.11	356.88	3.19	-51.92
CC1=CC(Br)=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248272	0	39	-1.0	-49.09	337.53	3.34	-45.75
CC1=CC(Br)=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248272	1	39	-1.0	-49.13	337.60	3.34	-45.79
O=C(NC1=CN2N=CN=C2C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248273	0	39	-1.0	-48.09	323.69	2.98	-45.11
O=C(NC1=CN2N=CN=C2C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248273	1	39	-1.0	-48.09	323.64	2.98	-45.11
N#CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248274	0	41	-1.0	-52.47	339.73	3.72	-48.75
N#CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248274	1	41	-1.0	-52.50	339.78	3.74	-48.76
CCSCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248275	0	47	-1.0	-47.35	385.07	5.32	-42.03
CCSCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248275	1	47	-1.0	-47.38	385.13	5.34	-42.04
O=C(NC1=CC=C2CCCC2=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248276	0	43	-1.0	-51.37	340.11	4.02	-47.35
O=C(NC1=CC=C2CCCC2=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248276	1	43	-1.0	-51.33	340.18	4.03	-47.30
COC1=C(F)C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(OC)=C1F	REAL300020248277	0	45	-1.0	-44.79	376.18	1.54	-43.25
COC1=C(F)C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(OC)=C1F	REAL300020248277	1	45	-1.0	-44.77	376.23	1.56	-43.21
O=C([N-]C1=NC=C(C2CCOCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248278	0	46	-2.0	-111.60	378.32	1.64	-109.96
O=C([N-]C1=NC=C(C2CCOCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248278	1	46	-2.0	-111.59	378.26	1.63	-109.96
O=C(NC1=NC=C(C2CCOCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248278	1	47	-1.0	-48.96	380.95	2.76	-46.20
O=C(NC1=NC=C(C2CCOCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248278	1	47	-1.0	-48.96	380.89	2.75	-46.21
CC(F)(F)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248279	0	43	-1.0	-55.12	345.02	4.27	-50.85
CC(F)(F)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248279	1	43	-1.0	-55.11	345.09	4.28	-50.83
CC1=NOC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=N2)=N1	REAL300020248280	0	44	-1.0	-47.74	366.62	0.00	-47.74
CC1=NOC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=N2)=N1	REAL300020248280	1	44	-1.0	-47.76	366.70	0.00	-47.76
CC1=CC2=CC=CC=C2C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248281	0	46	-1.0	-49.27	362.92	5.55	-43.72
CC1=CC2=CC=CC=C2C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248281	1	46	-1.0	-49.29	362.99	5.55	-43.74
COCCCN1C=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248282	0	50	-1.0	-55.35	400.69	2.79	-52.56
COCCCN1C=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248282	1	50	-1.0	-55.34	400.63	2.78	-52.56
COC1=NC=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020248283	0	46	-1.0	-47.28	369.89	1.61	-45.67
COC1=NC=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020248283	1	46	-1.0	-47.29	369.84	1.59	-45.70
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(C(N)=O)=C1	REAL300020248284	0	44	-1.0	-48.47	354.77	0.01	-48.46
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(C(N)=O)=C1	REAL300020248284	1	44	-1.0	-48.51	354.86	0.02	-48.49
O=C(NC1=CC=CC2=C1CCC2=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248285	0	43	-1.0	-46.94	345.94	3.52	-43.42
O=C(NC1=CC=CC2=C1CCC2=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248285	1	43	-1.0	-46.95	346.01	3.54	-43.41
CCCN1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C1CC1	REAL300020248286	0	50	-1.0	-48.34	390.95	3.93	-44.41
CCCN1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C1CC1	REAL300020248286	1	50	-1.0	-48.35	391.04	3.92	-44.43
CCOC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248287	0	44	-1.0	-49.28	364.40	3.35	-45.93
CCOC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248287	1	44	-1.0	-49.28	364.47	3.37	-45.91
CC(C)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248288	0	47	-1.0	-48.08	366.77	3.40	-44.68
CC(C)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248288	1	47	-1.0	-48.10	366.83	3.41	-44.69
CC(C)(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C#N	REAL300020248289	0	51	-1.0	-49.27	398.92	4.32	-44.95
CC(C)(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C#N	REAL300020248289	1	51	-1.0	-49.27	398.97	4.33	-44.94
CC1=NC=C(Br)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248290	0	39	-1.0	-44.00	333.21	2.19	-41.81
CC1=NC=C(Br)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248290	1	39	-1.0	-44.02	333.28	2.20	-41.82
CC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020248291	0	43	-1.0	-48.54	352.13	4.35	-44.19
CC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020248291	1	43	-1.0	-48.54	352.21	4.36	-44.18
CS(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248292	0	42	-1.0	-51.83	349.69	1.14	-50.69
CS(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248292	1	42	-1.0	-51.83	349.74	1.16	-50.67
CC1=NN(C)C2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C12	REAL300020248293	0	46	-1.0	-49.57	369.51	3.05	-46.52
CC1=NN(C)C2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C12	REAL300020248293	1	46	-1.0	-49.54	369.58	3.07	-46.47
O=C(NC1=CC=CC(C2CC2)=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248294	0	43	-1.0	-50.95	344.42	4.22	-46.73
O=C(NC1=CC=CC(C2CC2)=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248294	1	43	-1.0	-50.94	344.48	4.24	-46.70
CC1=C(C2CC2)N=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248295	0	42	-2.0	-112.62	353.74	2.52	-110.10
CC1=C(C2CC2)N=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248295	1	42	-2.0	-112.65	353.80	2.53	-110.12
CC1=C(C2CC2)N=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248295	1	43	-1.0	-48.89	356.34	3.63	-45.26
CC1=C(C2CC2)N=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248295	1	43	-1.0	-48.90	356.39	3.65	-45.25
O=C(NC1=CC(F)=CC(F)=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248296	0	37	-1.0	-45.33	316.65	2.71	-42.62
O=C(NC1=CC(F)=CC(F)=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248296	1	37	-1.0	-45.34	316.72	2.72	-42.62
O=C(NC1=CC=CC=C1OCCF)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248297	0	44	-1.0	-54.13	355.40	3.02	-51.11
O=C(NC1=CC=CC=C1OCCF)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248297	1	44	-1.0	-54.12	355.47	3.04	-51.08
CC1=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C1=CN(C)N=C1	REAL300020248298	0	49	-1.0	-53.00	395.56	4.03	-48.97
CC1=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C1=CN(C)N=C1	REAL300020248298	1	49	-1.0	-53.00	395.63	4.04	-48.96
CC1=CN=C(OC(C)C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248299	0	49	-1.0	-50.01	387.95	1.86	-48.15
CC1=CN=C(OC(C)C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248299	1	49	-1.0	-50.01	387.87	1.85	-48.16
COC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=C1	REAL300020248300	0	39	-1.0	-50.46	318.62	1.94	-48.52
COC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=C1	REAL300020248300	1	39	-1.0	-50.45	318.57	1.92	-48.53
CNC(=O)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248301	0	45	-1.0	-52.60	368.40	0.65	-51.95
CNC(=O)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248301	1	45	-1.0	-52.59	368.46	0.67	-51.92
CC1=CN=C(Br)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248302	0	39	-1.0	-48.27	333.71	2.04	-46.23
CC1=CN=C(Br)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248302	1	39	-1.0	-48.31	333.65	2.04	-46.27
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=NN1C1CCOCC1	REAL300020248303	0	51	-1.0	-49.67	393.63	1.81	-47.86
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=NN1C1CCOCC1	REAL300020248303	1	51	-1.0	-49.68	393.69	1.83	-47.85
CN(C)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NC=N1	REAL300020248304	0	43	-1.0	-49.07	344.96	3.66	-45.41
CN(C)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NC=N1	REAL300020248304	1	43	-1.0	-49.06	344.89	3.64	-45.42
CC1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2N(C)C1=O	REAL300020248305	0	49	-1.0	-49.67	385.16	4.02	-45.65
CC1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2N(C)C1=O	REAL300020248305	1	49	-1.0	-49.68	385.22	4.04	-45.64
O=C(NC1=CC=C2C(=O)CCCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248306	0	46	-1.0	-48.41	362.13	4.14	-44.27
O=C(NC1=CC=C2C(=O)CCCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248306	1	46	-1.0	-48.40	362.19	4.16	-44.24
O=C(NC1=CC=C2C(=O)CCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248307	0	43	-1.0	-49.05	346.29	3.54	-45.51
O=C(NC1=CC=C2C(=O)CCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248307	1	43	-1.0	-49.03	346.37	3.54	-45.49
CCC(C)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248308	0	50	-1.0	-46.22	389.45	4.30	-41.92
CCC(C)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248308	1	50	-1.0	-46.25	389.50	4.30	-41.95
CCOC1=NC=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248309	0	46	-1.0	-49.73	367.81	0.94	-48.79
CCOC1=NC=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248309	1	46	-1.0	-49.74	367.74	0.93	-48.81
O=C([N-]C1=NC(CC(F)(F)F)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248310	0	38	-2.0	-109.43	340.81	1.44	-107.99
O=C([N-]C1=NC(CC(F)(F)F)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248310	1	38	-2.0	-109.36	340.87	1.45	-107.91
O=C(NC1=NC(CC(F)(F)F)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248310	1	39	-1.0	-51.06	343.42	2.56	-48.50
O=C(NC1=NC(CC(F)(F)F)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248310	1	39	-1.0	-51.01	343.48	2.56	-48.45
CC1=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1C	REAL300020248311	0	39	-1.0	-55.11	318.36	3.20	-51.91
CC1=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1C	REAL300020248311	1	39	-1.0	-55.14	318.42	3.23	-51.91
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN2C=CN=C12	REAL300020248312	0	43	-1.0	-47.64	348.98	3.79	-43.85
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN2C=CN=C12	REAL300020248312	1	43	-1.0	-47.60	349.03	3.79	-43.81
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL300020248313	0	44	-1.0	-49.46	362.54	3.09	-46.37
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL300020248313	1	44	-1.0	-49.47	362.61	3.10	-46.37
COC1=CC(C(F)(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248314	0	44	-1.0	-46.81	365.68	2.95	-43.86
COC1=CC(C(F)(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248314	1	44	-1.0	-46.79	365.75	2.97	-43.82
O=C(NC1=CC=C(C2CCOC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248315	0	48	-1.0	-47.30	373.16	3.14	-44.16
O=C(NC1=CC=C(C2CCOC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248315	1	48	-1.0	-47.31	373.23	3.16	-44.15
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC=C1C1=NC=CO1	REAL300020248316	0	46	-1.0	-49.06	366.93	1.85	-47.21
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC=C1C1=NC=CO1	REAL300020248316	1	46	-1.0	-49.04	367.00	1.85	-47.19
O=C(NC1=CC=CC(C2CCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248317	0	47	-1.0	-47.05	363.55	5.20	-41.85
O=C(NC1=CC=CC(C2CCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248317	1	47	-1.0	-47.07	363.60	5.22	-41.85
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(OC)=C1C	REAL300020248318	0	48	-1.0	-47.11	376.51	1.99	-45.12
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(OC)=C1C	REAL300020248318	1	48	-1.0	-47.10	376.60	1.99	-45.11
CN1C=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248319	0	36	-1.0	-54.90	297.96	3.61	-51.29
CN1C=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248319	1	36	-1.0	-54.85	297.90	3.59	-51.26
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248320	0	47	-1.0	-48.83	371.70	5.97	-42.86
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248320	1	47	-1.0	-48.89	371.76	5.99	-42.90
CC1=C(Cl)C=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248321	0	39	-1.0	-43.85	326.15	1.92	-41.93
CC1=C(Cl)C=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248321	1	39	-1.0	-43.85	326.22	1.93	-41.92
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C1=CC=NC=C1	REAL300020248322	0	49	-1.0	-47.38	388.53	4.88	-42.50
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C1=CC=NC=C1	REAL300020248322	1	49	-1.0	-47.41	388.58	4.90	-42.51
CC1=CC(Cl)=CN=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248323	0	39	-1.0	-47.00	329.28	3.44	-43.56
CC1=CC(Cl)=CN=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248323	1	39	-1.0	-47.01	329.22	3.43	-43.58
O=C(NC1=CC=CC2=NON=C21)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248324	0	38	-1.0	-49.55	313.07	1.41	-48.14
O=C(NC1=CC=CC2=NON=C21)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248324	1	38	-1.0	-49.52	312.99	1.42	-48.10
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N(C)N=C1	REAL300020248325	0	43	-1.0	-51.94	355.18	1.84	-50.10
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N(C)N=C1	REAL300020248325	1	43	-1.0	-51.93	355.11	1.83	-50.10
CC(=O)N(C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1)C1CC1	REAL300020248326	0	51	-1.0	-47.50	400.92	4.64	-42.86
CC(=O)N(C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1)C1CC1	REAL300020248326	1	51	-1.0	-47.52	400.98	4.65	-42.87
CC(C)(C)C1=CSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C#N	REAL300020248327	0	47	-1.0	-50.55	380.49	3.91	-46.64
CC(C)(C)C1=CSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C#N	REAL300020248327	1	47	-1.0	-50.55	380.55	3.92	-46.63
CC1=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL300020248328	0	49	-1.0	-49.82	390.97	6.23	-43.59
CC1=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL300020248328	1	49	-1.0	-49.82	391.04	6.25	-43.57
CN1N=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C1CC1	REAL300020248329	0	44	-1.0	-51.90	350.13	3.30	-48.60
CN1N=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C1CC1	REAL300020248329	1	44	-1.0	-51.91	350.18	3.32	-48.59
CN1N=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248330	0	36	-1.0	-44.66	294.05	-0.21	-44.87
CN1N=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248330	1	36	-1.0	-44.65	293.99	-0.22	-44.87
CC1=NN2C=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC2=N1	REAL300020248331	0	42	-1.0	-48.80	345.63	2.85	-45.95
CC1=NN2C=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC2=N1	REAL300020248331	1	42	-1.0	-48.81	345.68	2.85	-45.96
CC(C)CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C1CC1	REAL300020248332	0	53	-1.0	-48.48	404.34	4.20	-44.28
CC(C)CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C1CC1	REAL300020248332	1	53	-1.0	-48.47	404.41	4.21	-44.26
COC(=O)C1=C(F)C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1F	REAL300020248333	0	43	-1.0	-50.09	366.29	3.36	-46.73
COC(=O)C1=C(F)C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1F	REAL300020248333	1	43	-1.0	-50.13	366.36	3.36	-46.77
O=C(NC1=C2CCCC2=CC2=C1CCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248334	0	51	-1.0	-49.40	387.17	6.28	-43.12
O=C(NC1=C2CCCC2=CC2=C1CCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248334	1	51	-1.0	-49.44	387.24	6.28	-43.16
CC1=CC(C(F)(F)F)=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248335	0	42	-1.0	-44.38	352.48	2.63	-41.75
CC1=CC(C(F)(F)F)=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248335	1	42	-1.0	-44.39	352.55	2.64	-41.75
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1C1CCCCC1	REAL300020248336	0	53	-1.0	-52.61	403.95	5.16	-47.45
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1C1CCCCC1	REAL300020248336	1	53	-1.0	-52.58	404.00	5.17	-47.41
CC1(C)CCCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)S2	REAL300020248337	0	48	-2.0	-114.35	381.21	3.08	-111.27
CC1(C)CCCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)S2	REAL300020248337	1	48	-2.0	-114.37	381.15	3.06	-111.31
CC1(C)CCCC2=C1N=C(NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)S2	REAL300020248337	1	49	-1.0	-48.97	383.82	4.19	-44.78
CC1(C)CCCC2=C1N=C(NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)S2	REAL300020248337	1	49	-1.0	-48.95	383.76	4.18	-44.77
O=C(NC1=CC=CC2=C1COC2=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248338	0	41	-1.0	-47.61	336.50	2.89	-44.72
O=C(NC1=CC=CC2=C1COC2=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248338	1	41	-1.0	-47.61	336.57	2.90	-44.71
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248339	0	46	-1.0	-50.07	370.07	4.43	-45.64
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248339	1	46	-1.0	-50.11	370.00	4.42	-45.69
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020248340	0	38	-1.0	-46.17	324.21	2.98	-43.19
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020248340	1	38	-1.0	-46.18	324.27	3.00	-43.18
O=C(NC1=CC=CC2=C1OCC(=O)N2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248341	0	43	-1.0	-51.44	348.21	-0.16	-51.60
O=C(NC1=CC=CC2=C1OCC(=O)N2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248341	1	43	-1.0	-51.45	348.28	-0.15	-51.60
O=C(NC1=CC=C2COC(=O)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248342	0	41	-1.0	-53.94	336.09	2.96	-50.98
O=C(NC1=CC=C2COC(=O)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248342	1	41	-1.0	-53.92	336.15	2.98	-50.94
O=C(NC1=CC=C(OC2=CC=CN=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248343	0	47	-1.0	-47.68	381.32	3.76	-43.92
O=C(NC1=CC=C(OC2=CC=CN=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248343	1	47	-1.0	-47.70	381.25	3.74	-43.96
COC1=CC(F)=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248344	0	41	-1.0	-46.63	339.59	2.03	-44.60
COC1=CC(F)=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248344	1	41	-1.0	-46.63	339.66	2.03	-44.60
N#CC1=NN(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248345	0	44	-1.0	-64.54	367.94	5.09	-59.45
N#CC1=NN(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248345	1	44	-1.0	-64.57	367.86	5.09	-59.48
COC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020248346	0	44	-1.0	-47.71	361.31	3.22	-44.49
COC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020248346	1	44	-1.0	-47.67	361.38	3.21	-44.46
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248347	0	45	-1.0	-49.20	365.03	4.84	-44.36
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248347	1	45	-1.0	-49.25	365.10	4.85	-44.40
CN1C(=O)OC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C(F)C=C21	REAL300020248348	0	43	-1.0	-49.32	358.12	2.54	-46.78
CN1C(=O)OC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C(F)C=C21	REAL300020248348	1	43	-1.0	-49.33	358.18	2.55	-46.78
C=COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248349	0	42	-1.0	-46.60	339.57	2.96	-43.64
C=COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248349	1	42	-1.0	-46.60	339.63	2.98	-43.62
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(OC)=C1Cl	REAL300020248350	0	45	-1.0	-45.99	372.23	1.81	-44.18
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(OC)=C1Cl	REAL300020248350	1	45	-1.0	-46.03	372.30	1.82	-44.21
CC1=NC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248351	0	38	-1.0	-48.61	311.34	1.96	-46.65
CC1=NC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248351	1	38	-1.0	-48.61	311.41	1.98	-46.63
NC1=C(Cl)C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020248352	0	39	-1.0	-44.66	341.79	1.63	-43.03
NC1=C(Cl)C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020248352	1	39	-1.0	-44.65	341.86	1.64	-43.01
CCC(C)C(NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020248353	0	45	-1.0	-45.66	350.41	2.99	-42.67
CCC(C)C(NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020248353	1	45	-1.0	-45.65	350.48	3.01	-42.64
CS(=O)(=O)CC1=NOC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248354	0	40	-2.0	-122.65	352.90	-4.84	-127.49
CS(=O)(=O)CC1=NOC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248354	1	40	-2.0	-122.63	352.96	-4.82	-127.45
O=C(NC(C1CCCC1)C(F)(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248355	0	46	-1.0	-45.66	361.88	3.31	-42.35
O=C(NC(C1CCCC1)C(F)(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248355	1	46	-1.0	-45.68	361.95	3.30	-42.38
CC(C)(C)CC(NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020248356	0	48	-1.0	-45.67	371.13	4.24	-41.43
CC(C)(C)CC(NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020248356	1	48	-1.0	-45.66	371.20	4.25	-41.41
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248357	0	46	-1.0	-47.41	379.27	4.73	-42.68
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248357	1	46	-1.0	-47.43	379.34	4.74	-42.69
CC1=CC=CC(C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(F)(F)F)=C1	REAL300020248358	0	46	-1.0	-46.91	377.91	4.43	-42.48
CC1=CC=CC(C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(F)(F)F)=C1	REAL300020248358	1	46	-1.0	-46.95	377.99	4.44	-42.51
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1SC	REAL300020248359	0	45	-1.0	-47.65	366.38	2.91	-44.74
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1SC	REAL300020248359	1	45	-1.0	-47.67	366.44	2.92	-44.75
O=C(NC1=CC=CC=C1OC(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248360	0	41	-1.0	-49.29	336.72	2.22	-47.07
O=C(NC1=CC=CC=C1OC(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248360	1	41	-1.0	-49.27	336.79	2.24	-47.03
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C[NH+](C)C	REAL300020248361	0	52	0.0	-72.96	392.15	5.22	-67.74
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C[NH+](C)C	REAL300020248361	1	52	0.0	-72.96	392.22	5.23	-67.73
CCC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248362	0	38	-2.0	-108.40	323.19	0.89	-107.51
CCC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248362	1	38	-2.0	-108.45	323.25	0.90	-107.55
CCC1=CSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248362	1	39	-1.0	-47.69	325.79	2.01	-45.68
CCC1=CSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248362	1	39	-1.0	-47.73	325.85	2.01	-45.72
COC(=O)C(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248363	0	49	-1.0	-50.47	391.47	4.47	-46.00
COC(=O)C(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248363	1	49	-1.0	-50.47	391.54	4.49	-45.98
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C(Cl)C(OC)=C1	REAL300020248364	0	45	-1.0	-51.05	371.37	1.82	-49.23
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C(Cl)C(OC)=C1	REAL300020248364	1	45	-1.0	-51.00	371.44	1.84	-49.16
CC(C)N1N=CN=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248365	0	42	-1.0	-46.43	338.27	5.10	-41.33
CC(C)N1N=CN=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248365	1	42	-1.0	-46.43	338.21	5.08	-41.35
CC(C)N1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248365	1	41	-2.0	-107.60	337.41	4.05	-103.55
CC(C)N1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248365	1	41	-2.0	-107.66	337.35	4.04	-103.62
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC(F)=C1F	REAL300020248366	0	40	-1.0	-44.04	328.48	3.50	-40.54
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC(F)=C1F	REAL300020248366	1	40	-1.0	-44.04	328.55	3.51	-40.53
COC1=CC(C(N)=O)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248367	0	45	-1.0	-52.92	361.23	-1.32	-54.24
COC1=CC(C(N)=O)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248367	1	45	-1.0	-52.98	361.30	-1.32	-54.30
CN1CC2=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC=C2C1=O	REAL300020248368	0	45	-1.0	-48.21	361.98	2.47	-45.74
CN1CC2=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC=C2C1=O	REAL300020248368	1	45	-1.0	-48.19	362.03	2.47	-45.72
COC(=O)C(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248369	0	49	-1.0	-49.33	391.47	4.49	-44.84
COC(=O)C(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248369	1	49	-1.0	-49.35	391.54	4.50	-44.85
O=C(NC1=CC(OC2CC(=O)N2)=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248370	0	46	-1.0	-53.58	372.66	-1.79	-55.37
O=C(NC1=CC(OC2CC(=O)N2)=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248370	1	46	-1.0	-53.62	372.72	-1.78	-55.40
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=NN1C	REAL300020248371	0	39	-1.0	-53.20	317.01	0.67	-52.53
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=NN1C	REAL300020248371	1	39	-1.0	-53.21	317.06	0.68	-52.53
CC1=CC(C#N)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248372	0	41	-1.0	-47.25	341.10	3.62	-43.63
CC1=CC(C#N)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248372	1	41	-1.0	-47.23	341.19	3.62	-43.61
O=C(NC1=NN2CCCCC2=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248373	0	43	-1.0	-54.74	339.57	4.46	-50.28
O=C(NC1=NN2CCCCC2=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248373	1	43	-1.0	-54.76	339.63	4.48	-50.28
O=C(NC1=CC=CC2=C1CCNC2=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248374	0	45	-1.0	-47.64	355.16	1.19	-46.45
O=C(NC1=CC=CC2=C1CCNC2=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248374	1	45	-1.0	-47.61	355.23	1.21	-46.40
O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248375	0	46	-1.0	-47.54	379.37	1.10	-46.44
O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248375	1	46	-1.0	-47.55	379.29	1.09	-46.46
CSC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020248376	0	41	-1.0	-44.57	352.99	4.09	-40.48
CSC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020248376	1	41	-1.0	-44.55	353.04	4.11	-40.44
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(OC)=C1C	REAL300020248377	0	48	-1.0	-47.11	376.51	1.99	-45.12
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(OC)=C1C	REAL300020248377	1	48	-1.0	-47.10	376.60	1.99	-45.11
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1S(C)(=O)=O	REAL300020248378	0	46	-1.0	-57.01	367.70	1.58	-55.43
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1S(C)(=O)=O	REAL300020248378	1	46	-1.0	-57.03	367.75	1.59	-55.44
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248379	0	48	-1.0	-50.14	380.83	2.06	-48.08
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248379	1	48	-1.0	-50.11	380.89	2.07	-48.04
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=C1	REAL300020248380	0	39	-1.0	-50.02	316.09	2.83	-47.19
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=C1	REAL300020248380	1	39	-1.0	-50.05	316.02	2.83	-47.22
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248381	0	45	-1.0	-48.77	361.67	4.57	-44.20
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248381	1	45	-1.0	-48.72	361.73	4.59	-44.13
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=N1	REAL300020248382	0	39	-1.0	-45.66	313.93	1.44	-44.22
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=N1	REAL300020248382	1	39	-1.0	-45.70	313.98	1.45	-44.25
O=C(NC1=CC=C(N2CCCCCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248383	0	55	-1.0	-45.54	408.08	4.79	-40.75
O=C(NC1=CC=C(N2CCCCCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248383	1	55	-1.0	-45.77	406.99	4.76	-41.01
O=C(NC1=CC=NC(Cl)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248384	0	36	-1.0	-45.20	309.25	1.25	-43.95
O=C(NC1=CC=NC(Cl)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248384	1	36	-1.0	-45.17	309.20	1.25	-43.92
CS(=O)(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248385	0	45	-1.0	-52.91	371.50	-0.62	-53.53
CS(=O)(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248385	1	45	-1.0	-52.84	371.56	-0.60	-53.44
CC1=CC=CC(Cl)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248386	0	40	-1.0	-48.75	329.43	3.83	-44.92
CC1=CC=CC(Cl)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248386	1	40	-1.0	-48.72	329.49	3.83	-44.89
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248387	0	41	-2.0	-108.37	355.72	2.96	-105.41
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248387	1	41	-2.0	-108.39	355.66	2.95	-105.44
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020248388	0	42	-1.0	-44.54	341.60	3.74	-40.80
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020248388	1	42	-1.0	-44.54	341.66	3.76	-40.78
O=C(NC1=CC=CC(C2=NNC=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248389	0	44	-1.0	-54.47	356.43	2.59	-51.88
O=C(NC1=CC=CC(C2=NNC=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248389	1	44	-1.0	-54.47	356.48	2.61	-51.86
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248390	0	45	-2.0	-113.90	381.22	4.21	-109.69
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248390	1	45	-2.0	-113.88	381.30	4.21	-109.67
CC1=C(C2=CC=CC=C2)SC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248390	1	46	-1.0	-48.97	383.76	5.32	-43.65
CC1=C(C2=CC=CC=C2)SC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248390	1	46	-1.0	-48.99	383.84	5.32	-43.67
CCOC(=O)C1=C(C)C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248391	0	46	-1.0	-45.87	382.17	3.79	-42.08
CCOC(=O)C1=C(C)C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248391	1	46	-1.0	-45.87	382.23	3.81	-42.06
CC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020248392	0	45	-1.0	-47.42	349.97	2.75	-44.67
CC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020248392	1	45	-1.0	-47.36	350.04	2.75	-44.61
CC1CCN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020248393	0	55	-1.0	-46.18	411.28	4.41	-41.77
CC1CCN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020248393	1	55	-1.0	-46.16	411.34	4.43	-41.73
O=C(NC1=NOC(C2=CC=CC=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248394	0	43	-1.0	-48.55	352.79	4.62	-43.93
O=C(NC1=NOC(C2=CC=CC=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248394	1	43	-1.0	-48.60	352.73	4.61	-43.99
O=C([N-]C1=NC2=C(COCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248395	0	40	-2.0	-109.99	334.83	-0.35	-110.34
O=C([N-]C1=NC2=C(COCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248395	1	40	-2.0	-109.98	334.89	-0.33	-110.31
O=C(NC1=NC2=C(COCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248395	1	41	-1.0	-48.53	337.44	0.77	-47.76
O=C(NC1=NC2=C(COCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248395	1	41	-1.0	-48.48	337.50	0.79	-47.69
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248396	0	45	-1.0	-44.16	360.71	4.48	-39.68
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248396	1	45	-1.0	-44.16	360.78	4.50	-39.66
COC1=NC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248397	0	39	-1.0	-50.86	321.74	-1.04	-51.90
COC1=NC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248397	1	39	-1.0	-50.86	321.68	-1.06	-51.92
O=C([N-]C1=NC(C(F)(F)F)=CO1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248398	0	35	-2.0	-105.21	314.56	-1.97	-107.18
O=C([N-]C1=NC(C(F)(F)F)=CO1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248398	1	35	-2.0	-105.25	314.50	-1.98	-107.23
O=C(NC1=NC(C(F)(F)F)=CO1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248398	1	36	-1.0	-46.83	317.05	-0.26	-47.09
O=C(NC1=NC(C(F)(F)F)=CO1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248398	1	36	-1.0	-46.85	316.99	-0.28	-47.13
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN=C1C	REAL300020248399	0	41	-1.0	-52.10	329.25	2.09	-50.01
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN=C1C	REAL300020248399	1	41	-1.0	-52.16	329.32	2.11	-50.05
COC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248400	0	36	-2.0	-106.60	314.22	-0.37	-106.97
COC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248400	1	36	-2.0	-106.58	314.16	-0.39	-106.97
COC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248400	1	37	-1.0	-47.31	317.48	0.62	-46.69
COC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248400	1	37	-1.0	-47.32	317.42	0.61	-46.71
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC2=NNC=C21	REAL300020248401	0	43	-1.0	-54.85	344.73	1.91	-52.94
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC2=NNC=C21	REAL300020248401	1	43	-1.0	-54.86	344.79	1.91	-52.95
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248402	0	40	-1.0	-46.98	330.68	-2.37	-49.35
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248402	1	40	-1.0	-46.96	330.60	-2.37	-49.33
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1Cl	REAL300020248403	0	35	-2.0	-100.81	317.25	0.23	-100.58
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1Cl	REAL300020248403	1	35	-2.0	-100.81	317.31	0.24	-100.57
COC1=CN=CN=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248404	0	39	-1.0	-49.88	318.28	1.35	-48.53
COC1=CN=CN=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248404	1	39	-1.0	-49.90	318.22	1.32	-48.58
O=C([N-]C1=NSN=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248405	0	31	-2.0	-103.43	275.31	-1.72	-105.15
O=C([N-]C1=NSN=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248405	1	31	-2.0	-103.40	275.37	-1.71	-105.11
O=C(NC1=CC=C(C2CC2)N=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248406	0	42	-1.0	-51.61	339.45	2.93	-48.68
O=C(NC1=CC=C(C2CC2)N=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248406	1	42	-1.0	-51.62	339.52	2.94	-48.68
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=N1	REAL300020248407	0	47	-1.0	-51.50	369.09	3.38	-48.12
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=N1	REAL300020248407	1	47	-1.0	-51.47	369.02	3.38	-48.09
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248408	0	45	-2.0	-112.23	378.87	4.13	-108.10
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248408	1	45	-2.0	-112.22	378.80	4.11	-108.11
CC1=CC=CC=C1C1=CN=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248408	1	46	-1.0	-48.36	381.47	5.23	-43.13
CC1=CC=CC=C1C1=CN=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248408	1	46	-1.0	-48.32	381.42	5.22	-43.10
CCOC(=O)C1=CN=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248409	0	48	-1.0	-47.68	388.70	3.16	-44.52
CCOC(=O)C1=CN=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248409	1	48	-1.0	-47.73	388.76	3.16	-44.57
O=C(NC1=NC=CN1C1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248410	0	44	-1.0	-51.29	358.85	6.95	-44.34
O=C(NC1=NC=CN1C1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248410	1	44	-1.0	-51.28	358.79	6.93	-44.35
O=C([N-]C1=NC=CN1C1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248410	1	43	-2.0	-118.01	358.40	5.92	-112.09
O=C([N-]C1=NC=CN1C1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248410	1	43	-2.0	-118.06	358.34	5.91	-112.15
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CC=CC=C2C(Cl)=C1	REAL300020248411	0	46	-1.0	-46.47	374.13	6.17	-40.30
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CC=CC=C2C(Cl)=C1	REAL300020248411	1	46	-1.0	-46.41	374.19	6.18	-40.23
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL300020248412	0	47	-1.0	-50.30	377.41	3.98	-46.32
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL300020248412	1	47	-1.0	-50.29	377.33	3.96	-46.33
CC(=O)OCCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248413	0	49	-1.0	-51.53	397.40	4.96	-46.57
CC(=O)OCCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248413	1	49	-1.0	-51.57	397.46	4.98	-46.59
CC1=NC(C2=CC=C(C)C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=NN1	REAL300020248414	0	49	-1.0	-54.37	393.97	4.12	-50.25
CC1=NC(C2=CC=C(C)C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=NN1	REAL300020248414	1	49	-1.0	-54.36	394.04	4.13	-50.23
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248415	0	46	-1.0	-52.41	383.09	5.55	-46.86
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248415	1	46	-1.0	-52.36	383.03	5.54	-46.82
CC1=C(C2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=NO2)C=CO1	REAL300020248416	0	43	-1.0	-48.84	357.27	3.53	-45.31
CC1=C(C2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=NO2)C=CO1	REAL300020248416	1	43	-1.0	-48.86	357.21	3.52	-45.34
CN1C=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020248417	0	46	-1.0	-55.29	375.74	4.67	-50.62
CN1C=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020248417	1	46	-1.0	-55.26	375.68	4.67	-50.59
CN1C=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020248418	0	46	-1.0	-53.03	376.58	4.66	-48.37
CN1C=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020248418	1	46	-1.0	-53.02	376.52	4.64	-48.38
O=C(NC1=CC=CC([N+](=O)[O-])=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248419	0	39	-1.0	-50.46	336.98	3.68	-46.78
O=C(NC1=CC=CC([N+](=O)[O-])=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248419	1	39	-1.0	-50.42	337.05	3.67	-46.75
CC1=NN=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248420	0	38	-1.0	-45.35	306.35	0.49	-44.86
CC1=NN=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248420	1	38	-1.0	-45.36	306.43	0.50	-44.86
COC1=CC=C2CCCC2=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248421	0	48	-1.0	-52.09	370.88	3.77	-48.32
COC1=CC=C2CCCC2=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248421	1	48	-1.0	-52.07	370.95	3.76	-48.31
O=C(NC1=CC2=NC=CN2C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248422	0	40	-1.0	-51.09	327.82	3.12	-47.97
O=C(NC1=CC2=NC=CN2C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248422	1	40	-1.0	-51.13	327.90	3.14	-47.99
CCOC(=O)CC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248423	0	44	-2.0	-115.61	381.68	2.49	-113.12
CCOC(=O)CC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248423	1	44	-2.0	-115.66	381.62	2.49	-113.17
CCOC(=O)CC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248423	1	45	-1.0	-53.17	384.28	3.61	-49.56
CCOC(=O)CC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248423	1	45	-1.0	-53.17	384.22	3.61	-49.56
CSC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248424	0	44	-1.0	-50.78	357.82	4.35	-46.43
CSC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248424	1	44	-1.0	-50.77	357.89	4.36	-46.41
CCN1C=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C1=O	REAL300020248425	0	43	-1.0	-62.20	346.50	3.14	-59.06
CCN1C=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C1=O	REAL300020248425	1	43	-1.0	-62.24	346.57	3.15	-59.09
O=C(NC1=CC=C2CCCCC(=O)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248426	0	49	-1.0	-50.19	380.53	4.73	-45.46
O=C(NC1=CC=C2CCCCC(=O)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248426	1	49	-1.0	-50.23	380.59	4.74	-45.49
CC1(C)CCC2=C(C1)SC([N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)=N2	REAL300020248427	0	48	-2.0	-113.95	381.76	3.40	-110.55
CC1(C)CCC2=C(C1)SC([N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)=N2	REAL300020248427	1	48	-2.0	-113.96	381.82	3.41	-110.55
CC1(C)CCC2=C(C1)SC(NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)=N2	REAL300020248427	1	49	-1.0	-48.56	384.31	4.52	-44.04
CC1(C)CCC2=C(C1)SC(NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)=N2	REAL300020248427	1	49	-1.0	-48.60	384.37	4.53	-44.07
COC1=CC=CC(SC)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248428	0	45	-1.0	-54.60	365.67	4.16	-50.44
COC1=CC=CC(SC)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248428	1	45	-1.0	-54.61	365.74	4.17	-50.44
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1C(C)C	REAL300020248429	0	46	-1.0	-52.52	362.31	3.27	-49.25
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1C(C)C	REAL300020248429	1	46	-1.0	-52.52	362.37	3.27	-49.25
COC(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020248430	0	46	-1.0	-51.61	379.88	4.02	-47.59
COC(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020248430	1	46	-1.0	-51.63	379.94	4.05	-47.58
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020248431	0	44	-1.0	-47.90	355.41	2.87	-45.03
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020248431	1	44	-1.0	-47.93	355.49	2.89	-45.04
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1CC(F)(F)F	REAL300020248432	0	43	-1.0	-52.94	358.80	2.92	-50.02
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1CC(F)(F)F	REAL300020248432	1	43	-1.0	-52.97	358.85	2.93	-50.04
CC1(C)CCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)S2	REAL300020248433	0	45	-2.0	-115.00	366.93	2.55	-112.45
CC1(C)CCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)S2	REAL300020248433	1	45	-2.0	-115.01	366.88	2.53	-112.48
CC1(C)CCC2=C1N=C(NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)S2	REAL300020248433	1	46	-1.0	-49.78	369.54	3.66	-46.12
CC1(C)CCC2=C1N=C(NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)S2	REAL300020248433	1	46	-1.0	-49.75	369.48	3.65	-46.10
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248434	0	42	-1.0	-48.75	353.50	3.49	-45.26
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248434	1	42	-1.0	-48.77	353.44	3.46	-45.31
CC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248435	0	46	-1.0	-54.11	372.06	1.84	-52.27
CC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248435	1	46	-1.0	-54.11	371.99	1.82	-52.29
CCC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1C	REAL300020248436	0	43	-1.0	-52.01	341.94	2.44	-49.57
CCC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1C	REAL300020248436	1	43	-1.0	-52.03	342.00	2.45	-49.58
O=C(NC1=CC=CC=C1C(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248437	0	40	-1.0	-49.80	326.49	3.88	-45.92
O=C(NC1=CC=CC=C1C(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248437	1	40	-1.0	-49.81	326.57	3.89	-45.92
CCC1=CC(C(=O)OC)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248438	0	46	-1.0	-53.35	383.26	3.90	-49.45
CCC1=CC(C(=O)OC)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248438	1	46	-1.0	-53.36	383.31	3.92	-49.44
CCOC(=O)CN1C=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248439	0	45	-1.0	-63.15	374.68	5.60	-57.55
CCOC(=O)CN1C=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248439	1	45	-1.0	-63.11	374.62	5.58	-57.53
CC(C1=CC=CC=C1)N1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248440	0	50	-1.0	-48.70	396.19	4.40	-44.30
CC(C1=CC=CC=C1)N1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248440	1	50	-1.0	-48.68	396.14	4.38	-44.30
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=NN1C1=CC(C)=CC=C1	REAL300020248441	0	50	-1.0	-49.19	395.53	4.76	-44.43
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=NN1C1=CC(C)=CC=C1	REAL300020248441	1	50	-1.0	-49.19	395.58	4.77	-44.42
CSC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248442	0	41	-1.0	-47.31	342.70	3.67	-43.64
CSC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248442	1	41	-1.0	-47.34	342.77	3.68	-43.66
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(Cl)=C1C	REAL300020248443	0	43	-1.0	-48.69	348.77	4.27	-44.42
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(Cl)=C1C	REAL300020248443	1	43	-1.0	-48.69	348.84	4.28	-44.41
CN1N=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020248444	0	42	-1.0	-52.85	340.81	1.20	-51.65
CN1N=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020248444	1	42	-1.0	-52.85	340.74	1.18	-51.67
N#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248445	0	37	-1.0	-52.03	315.70	2.52	-49.51
N#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248445	1	37	-1.0	-52.03	315.63	2.50	-49.53
CC1=CN=NN1C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248446	0	46	-1.0	-50.63	369.80	2.90	-47.73
CC1=CN=NN1C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248446	1	46	-1.0	-50.65	369.87	2.92	-47.73
CCC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2S1	REAL300020248447	0	45	-1.0	-47.82	373.43	3.42	-44.40
CCC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2S1	REAL300020248447	1	45	-1.0	-47.81	373.52	3.43	-44.38
O=C(NC1=CC=CN=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248448	0	36	-1.0	-50.09	298.97	0.78	-49.31
O=C(NC1=CC=CN=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248448	1	36	-1.0	-50.09	298.90	0.75	-49.34
CC(C)CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248449	0	53	-1.0	-50.65	409.39	4.98	-45.67
CC(C)CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248449	1	53	-1.0	-50.68	409.45	4.99	-45.69
CC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020248450	0	45	-1.0	-46.45	356.43	3.70	-42.75
CC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020248450	1	45	-1.0	-46.42	356.51	3.72	-42.70
CC1(C)CCC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020248451	0	51	-1.0	-47.59	388.10	4.37	-43.22
CC1(C)CCC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020248451	1	51	-1.0	-47.55	388.16	4.39	-43.16
CC(C)N(C)C(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248452	0	53	-1.0	-61.63	409.21	4.13	-57.50
CC(C)N(C)C(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248452	1	53	-1.0	-61.72	409.28	4.13	-57.59
CC(C)N1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248453	0	43	-1.0	-48.31	340.83	1.64	-46.67
CC(C)N1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248453	1	43	-1.0	-48.32	340.77	1.63	-46.69
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020248454	0	40	-1.0	-44.49	332.92	3.65	-40.84
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020248454	1	40	-1.0	-44.47	332.98	3.67	-40.80
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NC=C1C#N	REAL300020248455	0	40	-1.0	-47.51	334.88	3.13	-44.38
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NC=C1C#N	REAL300020248455	1	40	-1.0	-47.51	334.95	3.15	-44.36
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(Cl)=C1OC	REAL300020248456	0	45	-1.0	-45.90	377.09	2.39	-43.51
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020248456	1	45	-1.0	-45.90	377.16	2.41	-43.49
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020248457	0	43	-1.0	-47.24	365.14	3.67	-43.57
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020248457	1	43	-1.0	-47.25	365.20	3.68	-43.57
CC(C)OC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248458	0	45	-1.0	-46.74	363.75	0.96	-45.78
CC(C)OC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248458	1	45	-1.0	-46.76	363.67	0.94	-45.82
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248459	0	43	-1.0	-48.50	359.98	3.99	-44.51
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248459	1	43	-1.0	-48.49	359.93	3.96	-44.53
CN1C=C(C2=CSC([N-]C(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)C=N1	REAL300020248460	0	42	-2.0	-108.80	364.17	1.02	-107.78
CN1C=C(C2=CSC([N-]C(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)C=N1	REAL300020248460	1	42	-2.0	-108.79	364.12	1.01	-107.78
CN1C=C(C2=CSC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)C=N1	REAL300020248460	1	43	-1.0	-49.42	366.78	2.11	-47.31
CN1C=C(C2=CSC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)C=N1	REAL300020248460	1	43	-1.0	-49.43	366.72	2.11	-47.32
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=NN1C1=CC=C(C)C=C1	REAL300020248461	0	50	-1.0	-48.99	395.01	4.76	-44.23
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300020248461	1	50	-1.0	-49.02	395.07	4.77	-44.25
CSC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020248462	0	44	-1.0	-46.21	356.17	4.14	-42.07
CSC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020248462	1	44	-1.0	-46.20	356.23	4.16	-42.04
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248463	0	42	-1.0	-51.74	350.47	2.82	-48.92
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248463	1	42	-1.0	-51.75	350.40	2.81	-48.94
CC(C)N1C=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248464	0	42	-1.0	-53.77	338.29	4.86	-48.91
CC(C)N1C=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248464	1	42	-1.0	-53.76	338.23	4.84	-48.92
CCCN(CCC)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248465	0	57	-1.0	-47.32	435.62	6.37	-40.95
CCCN(CCC)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248465	1	57	-1.0	-47.35	435.68	6.38	-40.97
O=C(NC1=CC=C2CCCCCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248466	0	50	-1.0	-47.17	375.36	5.54	-41.63
O=C(NC1=CC=C2CCCCCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248466	1	50	-1.0	-47.23	375.41	5.56	-41.67
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1OC	REAL300020248467	0	47	-1.0	-52.14	380.30	3.26	-48.88
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1OC	REAL300020248467	1	47	-1.0	-52.16	380.37	3.28	-48.88
CN(C)C1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248468	0	45	-1.0	-47.05	357.31	3.02	-44.03
CN(C)C1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248468	1	45	-1.0	-47.05	357.38	3.04	-44.01
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL300020248469	0	47	-1.0	-47.34	380.58	4.16	-43.18
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300020248469	1	47	-1.0	-47.38	380.64	4.17	-43.21
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(Cl)=C1OC	REAL300020248470	0	45	-1.0	-45.90	377.09	2.39	-43.51
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020248470	1	45	-1.0	-45.90	377.16	2.41	-43.49
O=C(NC1=CSC(C2=CC=CC=C2)=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248471	0	43	-1.0	-51.11	364.97	4.73	-46.38
O=C(NC1=CSC(C2=CC=CC=C2)=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248471	1	43	-1.0	-51.08	364.90	4.71	-46.37
O=C([N-]C1=CSC(C2=CC=CC=C2)=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248471	1	42	-2.0	-118.60	362.39	3.62	-114.98
O=C([N-]C1=CSC(C2=CC=CC=C2)=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248471	1	42	-2.0	-118.63	362.34	3.60	-115.03
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC(C)=C1	REAL300020248472	0	43	-1.0	-53.73	361.76	3.13	-50.60
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC(C)=C1	REAL300020248472	1	43	-1.0	-53.78	361.82	3.15	-50.63
CCC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248473	0	42	-1.0	-47.45	332.23	2.35	-45.10
CCC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248473	1	42	-1.0	-47.48	332.30	2.37	-45.11
O=C(NC1=CC(C(F)F)=CC=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248474	0	40	-1.0	-52.97	338.15	3.54	-49.43
O=C(NC1=CC(C(F)F)=CC=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248474	1	40	-1.0	-53.00	338.22	3.56	-49.44
COC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248475	0	39	-1.0	-46.85	321.76	-0.90	-47.75
COC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248475	1	39	-1.0	-46.82	321.69	-0.91	-47.73
O=C(NC1=CC2=C(CCCC2)NC1=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248476	0	47	-1.0	-57.74	367.26	2.70	-55.04
O=C(NC1=CC2=C(CCCC2)NC1=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248476	1	47	-1.0	-57.75	367.33	2.70	-55.05
CN1N=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=C1C(C)(C)C	REAL300020248477	0	48	-1.0	-54.15	370.26	4.55	-49.60
CN1N=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=C1C(C)(C)C	REAL300020248477	1	48	-1.0	-54.14	370.18	4.54	-49.60
CCC1=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1C	REAL300020248478	0	42	-1.0	-54.68	339.86	3.81	-50.87
CCC1=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1C	REAL300020248478	1	42	-1.0	-54.73	339.91	3.83	-50.90
NC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC1=O	REAL300020248479	0	44	-1.0	-56.67	364.70	-1.39	-58.06
NC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC1=O	REAL300020248479	1	44	-1.0	-56.66	364.78	-1.38	-58.04
CN1CCC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2C1=O	REAL300020248480	0	48	-1.0	-51.48	377.13	3.16	-48.32
CN1CCC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2C1=O	REAL300020248480	1	48	-1.0	-51.46	377.19	3.17	-48.29
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020248481	0	43	-1.0	-45.86	358.52	4.20	-41.66
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020248481	1	43	-1.0	-45.86	358.59	4.22	-41.64
O=C(NC1=CC=C2C=CN(C(F)F)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248482	0	44	-1.0	-50.32	361.64	4.28	-46.04
O=C(NC1=CC=C2C=CN(C(F)F)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248482	1	44	-1.0	-50.25	361.71	4.29	-45.96
O=C(NC1=CC2=CC=CC(F)=C2N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248483	0	42	-1.0	-49.01	345.07	3.06	-45.95
O=C(NC1=CC2=CC=CC(F)=C2N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248483	1	42	-1.0	-49.03	345.02	3.04	-45.99
CCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248484	0	40	-1.0	-52.45	321.97	2.06	-50.39
CCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248484	1	40	-1.0	-52.45	321.91	2.03	-50.42
CCN1N=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248485	0	43	-1.0	-45.67	341.01	2.51	-43.16
CCN1N=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248485	1	43	-1.0	-45.67	340.95	2.50	-43.17
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020248486	0	40	-1.0	-44.49	332.92	3.65	-40.84
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020248486	1	40	-1.0	-44.47	332.98	3.67	-40.80
O=C(NC1=CC=C2C(=C1)C=CNC2=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248487	0	43	-1.0	-52.15	348.80	1.88	-50.27
O=C(NC1=CC=C2C(=C1)C=CNC2=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248487	1	43	-1.0	-52.21	348.86	1.89	-50.32
O=C([N-]C1=NC(C2CC2)=NS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248488	0	38	-2.0	-104.95	328.32	1.32	-103.63
O=C([N-]C1=NC(C2CC2)=NS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248488	1	38	-2.0	-104.96	328.37	1.33	-103.63
O=C(NC1=C2C=CN(C(F)F)C2=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248489	0	44	-1.0	-51.98	365.27	4.43	-47.55
O=C(NC1=C2C=CN(C(F)F)C2=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248489	1	44	-1.0	-51.99	365.35	4.43	-47.56
CC1=C(C(C)C)N=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248490	0	44	-2.0	-111.73	362.75	2.10	-109.63
CC1=C(C(C)C)N=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248490	1	44	-2.0	-111.74	362.81	2.12	-109.62
CC1=C(C(C)C)N=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248490	1	45	-1.0	-48.48	366.74	3.27	-45.21
CC1=C(C(C)C)N=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248490	1	45	-1.0	-48.47	366.80	3.29	-45.18
CSC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248491	0	41	-1.0	-47.32	353.02	4.11	-43.21
CSC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248491	1	41	-1.0	-47.33	353.09	4.12	-43.21
O=C(NC1=CC=C2C(=C1)CCNC2=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248492	0	45	-1.0	-50.73	357.01	1.00	-49.73
O=C(NC1=CC=C2C(=C1)CCNC2=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248492	1	45	-1.0	-50.75	357.07	1.02	-49.73
CSC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248493	0	41	-1.0	-48.27	345.33	3.69	-44.58
CSC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248493	1	41	-1.0	-48.24	345.40	3.71	-44.53
CCN(C(C)=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248494	0	49	-1.0	-51.22	383.04	3.23	-47.99
CCN(C(C)=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248494	1	49	-1.0	-51.20	382.97	3.22	-47.98
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N(C)N=C1	REAL300020248495	0	40	-1.0	-45.86	317.66	1.80	-44.06
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N(C)N=C1	REAL300020248495	1	40	-1.0	-45.90	317.59	1.79	-44.11
CSC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248496	0	41	-1.0	-49.05	353.24	4.15	-44.90
CSC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248496	1	41	-1.0	-49.10	353.31	4.17	-44.93
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C(C)S1	REAL300020248497	0	43	-1.0	-54.65	359.07	3.21	-51.44
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C(C)S1	REAL300020248497	1	43	-1.0	-54.70	359.12	3.23	-51.47
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL300020248498	0	43	-1.0	-48.16	360.88	0.72	-47.44
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL300020248498	1	43	-1.0	-48.13	360.81	0.71	-47.42
O=C(NC1=CC=CC(Br)=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248499	0	37	-1.0	-48.62	324.46	3.15	-45.47
O=C(NC1=CC=CC(Br)=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248499	1	37	-1.0	-48.68	324.53	3.17	-45.51
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL300020248500	0	42	-1.0	-44.34	348.04	2.38	-41.96
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL300020248500	1	42	-1.0	-44.39	347.99	2.37	-42.02
CC1=CC=C(C(F)(F)F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248501	0	43	-1.0	-50.14	353.06	4.49	-45.65
CC1=CC=C(C(F)(F)F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248501	1	43	-1.0	-50.10	353.13	4.49	-45.61
CCC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248502	0	45	-1.0	-48.39	360.60	3.93	-44.46
CCC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248502	1	45	-1.0	-48.39	360.66	3.93	-44.46
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020248503	0	44	-1.0	-48.07	344.86	2.71	-45.36
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020248503	1	44	-1.0	-48.12	344.93	2.73	-45.39
COCC1=NC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248504	0	42	-1.0	-50.62	345.03	0.94	-49.68
COCC1=NC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248504	1	42	-1.0	-50.62	345.10	0.95	-49.67
CC(C)CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=N1	REAL300020248505	0	51	-1.0	-49.54	404.30	2.18	-47.36
CC(C)CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=N1	REAL300020248505	1	51	-1.0	-49.57	404.23	2.17	-47.40
CN1N=NN=C1C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248506	0	45	-1.0	-50.87	364.34	1.90	-48.97
CN1N=NN=C1C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248506	1	45	-1.0	-50.87	364.40	1.91	-48.96
O=C(NC1=CC=C2NC(=O)OCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248507	0	43	-1.0	-49.23	348.15	0.57	-48.66
O=C(NC1=CC=C2NC(=O)OCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248507	1	43	-1.0	-49.29	348.21	0.59	-48.70
O=C(NC1=CC=C(C(F)(F)F)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248508	0	40	-1.0	-44.45	341.77	3.61	-40.84
O=C(NC1=CC=C(C(F)(F)F)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248508	1	40	-1.0	-44.39	341.83	3.63	-40.76
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C(F)C=C1C#N	REAL300020248509	0	42	-1.0	-47.04	353.63	2.35	-44.69
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C(F)C=C1C#N	REAL300020248509	1	42	-1.0	-47.06	353.70	2.37	-44.69
O=C(NC1=CC=CC2=C1OCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248510	0	42	-1.0	-51.53	333.19	2.42	-49.11
O=C(NC1=CC=CC2=C1OCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248510	1	42	-1.0	-51.53	333.26	2.43	-49.10
COC1=NNC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248511	0	38	-1.0	-45.34	310.28	-2.24	-47.58
COC1=NNC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248511	1	38	-1.0	-45.34	310.34	-2.22	-47.56
O=C(NC1=CN(CCF)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248512	0	40	-1.0	-47.82	328.30	1.37	-46.45
O=C(NC1=CN(CCF)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248512	1	40	-1.0	-47.83	328.24	1.35	-46.48
O=C(NC1=CC=C2COCCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248513	0	45	-1.0	-47.68	351.22	2.65	-45.03
O=C(NC1=CC=C2COCCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248513	1	45	-1.0	-47.66	351.28	2.67	-44.99
O=C(NC1=CC=C2CCCC=CC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248514	0	48	-1.0	-47.59	368.60	5.57	-42.02
O=C(NC1=CC=C2CCCC=CC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248514	1	48	-1.0	-47.59	368.65	5.58	-42.01
COCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C#N	REAL300020248515	0	45	-1.0	-46.04	370.00	2.75	-43.29
COCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C#N	REAL300020248515	1	45	-1.0	-46.02	370.06	2.77	-43.25
CN1CCC2=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC=C2C1=O	REAL300020248516	0	48	-1.0	-47.66	374.78	3.29	-44.37
CN1CCC2=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC=C2C1=O	REAL300020248516	1	48	-1.0	-47.71	374.85	3.30	-44.41
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN=C1OC	REAL300020248517	0	44	-1.0	-46.43	354.02	-0.79	-47.22
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN=C1OC	REAL300020248517	1	44	-1.0	-46.47	353.96	-0.80	-47.27
O=C(NC1=NN(C2CCOCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248518	0	48	-1.0	-50.88	373.02	2.03	-48.85
O=C(NC1=NN(C2CCOCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248518	1	48	-1.0	-50.86	372.96	2.01	-48.85
COC(=O)C1=CNC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C12	REAL300020248519	0	47	-1.0	-54.39	384.87	3.20	-51.19
COC(=O)C1=CNC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C12	REAL300020248519	1	47	-1.0	-54.36	384.94	3.22	-51.14
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C2=CC=CO2)=N1	REAL300020248520	0	44	-1.0	-52.15	361.78	1.94	-50.21
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C2=CC=CO2)=N1	REAL300020248520	1	44	-1.0	-52.13	361.72	1.93	-50.20
CCCOC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248521	0	46	-1.0	-46.37	365.31	1.79	-44.58
CCCOC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248521	1	46	-1.0	-46.39	365.25	1.78	-44.61
COC1=C(C)C=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248522	0	44	-1.0	-47.05	367.67	3.30	-43.75
COC1=C(C)C=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248522	1	44	-1.0	-47.00	367.75	3.32	-43.68
CC(C)C1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248523	0	46	-1.0	-44.57	371.65	5.12	-39.45
CC(C)C1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248523	1	46	-1.0	-44.56	371.72	5.13	-39.43
CCC(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248524	0	49	-1.0	-46.97	376.13	5.13	-41.84
CCC(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248524	1	49	-1.0	-46.98	376.19	5.14	-41.84
CC1=CNC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C12	REAL300020248525	0	44	-1.0	-50.47	351.79	3.25	-47.22
CC1=CNC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C12	REAL300020248525	1	44	-1.0	-50.44	351.86	3.27	-47.17
O=C(NC1=CC=C2OC3(CCC3)CCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248526	0	52	-1.0	-47.82	398.92	5.13	-42.69
O=C(NC1=CC=C2OC3(CCC3)CCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248526	1	52	-1.0	-47.82	398.97	5.14	-42.68
CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(OC)=C1	REAL300020248527	0	48	-1.0	-53.02	383.16	0.17	-52.85
CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(OC)=C1	REAL300020248527	1	48	-1.0	-53.01	383.23	0.18	-52.83
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020248528	0	45	-1.0	-48.60	365.98	2.03	-46.57
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020248528	1	45	-1.0	-48.58	366.03	2.04	-46.54
CN1C=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)N=N1	REAL300020248529	0	46	-1.0	-59.95	373.61	2.68	-57.27
CN1C=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)N=N1	REAL300020248529	1	46	-1.0	-59.94	373.66	2.70	-57.24
O=C(NC1=CC=C(OC2CC2(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248530	0	45	-1.0	-48.86	371.91	3.81	-45.05
O=C(NC1=CC=C(OC2CC2(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248530	1	45	-1.0	-48.86	371.97	3.82	-45.04
CN1N=C(C(F)(F)F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248531	0	40	-1.0	-43.64	340.07	2.12	-41.52
CN1N=C(C(F)(F)F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248531	1	40	-1.0	-43.68	340.02	2.11	-41.57
O=C(NC1=NN(C2=CC=CC=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248532	0	44	-1.0	-52.94	356.46	4.60	-48.34
O=C(NC1=NN(C2=CC=CC=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248532	1	44	-1.0	-52.93	356.41	4.58	-48.35
CC(C)(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248533	0	46	-1.0	-45.99	352.73	3.39	-42.60
CC(C)(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248533	1	46	-1.0	-45.95	352.67	3.38	-42.57
O=C(NC1=CC=NC(OCCO)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248534	0	44	-1.0	-50.24	357.82	-2.87	-53.11
O=C(NC1=CC=NC(OCCO)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248534	1	44	-1.0	-50.25	357.76	-2.87	-53.12
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=C1C	REAL300020248535	0	46	-1.0	-49.93	366.46	3.11	-46.82
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=C1C	REAL300020248535	1	46	-1.0	-49.94	366.53	3.12	-46.82
CC1=CN2C=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC2=N1	REAL300020248536	0	43	-1.0	-51.44	349.74	3.71	-47.73
CC1=CN2C=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC2=N1	REAL300020248536	1	43	-1.0	-51.45	349.81	3.72	-47.73
O=C(NC1=CC=CC2=C1COCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248537	0	45	-1.0	-48.84	348.24	2.84	-46.00
O=C(NC1=CC=CC2=C1COCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248537	1	45	-1.0	-48.84	348.31	2.86	-45.98
O=C(NC1=CC=C(OC2=CC=CN=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248538	0	46	-1.0	-53.28	379.30	1.65	-51.63
O=C(NC1=CC=C(OC2=CC=CN=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248538	1	46	-1.0	-53.28	379.23	1.64	-51.64
CC1=CN(C)N=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248539	0	40	-1.0	-52.95	324.00	2.10	-50.85
CC1=CN(C)N=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248539	1	40	-1.0	-52.97	323.95	2.08	-50.89
O=C(NC1=CC=CC(C2CCCCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248540	0	53	-1.0	-46.44	399.32	6.34	-40.10
O=C(NC1=CC=CC(C2CCCCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248540	1	53	-1.0	-46.44	399.39	6.35	-40.09
COC(=O)C(C)(C)N1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248541	0	49	-1.0	-50.87	393.23	2.22	-48.65
COC(=O)C(C)(C)N1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248541	1	49	-1.0	-50.86	393.17	2.22	-48.64
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CS1	REAL300020248542	0	37	-1.0	-46.13	309.52	2.29	-43.84
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CS1	REAL300020248542	1	37	-1.0	-46.12	309.58	2.31	-43.81
CN(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020248543	0	47	-1.0	-51.36	376.61	2.44	-48.92
CN(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020248543	1	47	-1.0	-51.39	376.67	2.45	-48.94
O=C(NC1=CN=C(OC2=CC=CC=C2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248544	0	46	-1.0	-47.38	379.13	0.83	-46.55
O=C(NC1=CN=C(OC2=CC=CC=C2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248544	1	46	-1.0	-47.40	379.08	0.83	-46.57
CC1(C)C=CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2O1	REAL300020248545	0	49	-1.0	-52.13	383.02	4.49	-47.64
CC1(C)C=CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2O1	REAL300020248545	1	49	-1.0	-52.15	383.09	4.49	-47.66
CN1N=C2CCCCC2=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248546	0	47	-1.0	-46.59	358.10	3.43	-43.16
CN1N=C2CCCCC2=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248546	1	47	-1.0	-46.56	358.15	3.45	-43.11
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020248547	0	50	-1.0	-46.36	390.40	4.32	-42.04
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020248547	1	50	-1.0	-46.41	390.45	4.34	-42.07
CCN1N=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248548	0	43	-1.0	-46.16	342.53	2.58	-43.58
CCN1N=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248548	1	43	-1.0	-46.13	342.59	2.60	-43.53
COCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1OC	REAL300020248549	0	48	-1.0	-46.78	379.20	1.80	-44.98
COCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1OC	REAL300020248549	1	48	-1.0	-46.78	379.25	1.81	-44.97
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020248550	0	47	-1.0	-46.41	376.56	3.64	-42.77
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020248550	1	47	-1.0	-46.49	376.62	3.66	-42.83
CC1CC(=O)N(C)C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020248551	0	51	-1.0	-48.67	394.50	4.03	-44.64
CC1CC(=O)N(C)C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020248551	1	51	-1.0	-48.60	394.56	4.03	-44.57
O=C(NC1=NOC(C2CC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248552	0	40	-1.0	-48.20	326.37	3.26	-44.94
O=C(NC1=NOC(C2CC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248552	1	40	-1.0	-48.22	326.43	3.27	-44.95
CCCN(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248553	0	51	-1.0	-48.72	392.10	3.80	-44.92
CCCN(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248553	1	51	-1.0	-48.76	392.16	3.81	-44.95
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1OC	REAL300020248554	0	51	-1.0	-47.45	399.57	3.48	-43.97
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1OC	REAL300020248554	1	51	-1.0	-47.48	399.63	3.50	-43.98
CC1(C)CC(=O)C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2O1	REAL300020248555	0	50	-1.0	-48.88	391.56	3.61	-45.27
CC1(C)CC(=O)C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2O1	REAL300020248555	1	50	-1.0	-48.89	391.63	3.62	-45.27
CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C1CC1	REAL300020248556	0	44	-1.0	-48.77	349.23	2.17	-46.60
CN1N=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C1CC1	REAL300020248556	1	44	-1.0	-48.79	349.31	2.17	-46.62
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020248557	0	47	-1.0	-48.99	370.06	4.27	-44.72
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020248557	1	47	-1.0	-48.97	370.13	4.27	-44.70
CN1N=C(C2CCOCC2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248558	0	51	-1.0	-46.61	393.19	2.47	-44.14
CN1N=C(C2CCOCC2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248558	1	51	-1.0	-46.64	393.25	2.49	-44.15
O=C(NC1=CC2=C(C=C1Cl)CCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248559	0	44	-1.0	-48.41	357.37	5.09	-43.32
O=C(NC1=CC2=C(C=C1Cl)CCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248559	1	44	-1.0	-48.49	357.45	5.09	-43.40
CCC1=CC(Cl)=CN=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248560	0	42	-1.0	-47.02	350.97	4.19	-42.83
CCC1=CC(Cl)=CN=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248560	1	42	-1.0	-46.94	350.92	4.17	-42.77
O=C(NC1=CC=CC(C2CCOCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248561	0	51	-1.0	-47.02	390.02	3.94	-43.08
O=C(NC1=CC=CC(C2CCOCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248561	1	51	-1.0	-47.01	390.08	3.96	-43.05
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248562	0	50	-1.0	-49.35	402.34	5.36	-43.99
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248562	1	50	-1.0	-49.38	402.40	5.37	-44.01
O=C(NC1=NN(C2CCSCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248563	0	48	-1.0	-50.69	383.23	4.16	-46.53
O=C(NC1=NN(C2CCSCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248563	1	48	-1.0	-50.67	383.17	4.14	-46.53
NC(=O)C1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2N1	REAL300020248564	0	45	-1.0	-53.52	366.76	-0.73	-54.25
NC(=O)C1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2N1	REAL300020248564	1	45	-1.0	-53.58	366.83	-0.71	-54.29
COC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248565	0	40	-1.0	-46.92	321.96	0.07	-46.85
COC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248565	1	40	-1.0	-46.92	321.90	0.05	-46.87
CSCCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248566	0	47	-1.0	-49.09	381.62	5.44	-43.65
CSCCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248566	1	47	-1.0	-49.13	381.70	5.45	-43.68
COC1=CC(C)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C	REAL300020248567	0	47	-1.0	-48.46	366.48	3.46	-45.00
COC1=CC(C)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C	REAL300020248567	1	47	-1.0	-48.43	366.56	3.49	-44.94
CC(C)COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NC=N1	REAL300020248568	0	48	-1.0	-47.03	385.36	2.92	-44.11
CC(C)COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NC=N1	REAL300020248568	1	48	-1.0	-47.03	385.29	2.90	-44.13
CC(C)COC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248569	0	48	-1.0	-46.56	385.22	1.52	-45.04
CC(C)COC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248569	1	48	-1.0	-46.55	385.15	1.51	-45.04
CN(C)C1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248570	0	44	-1.0	-47.52	345.50	1.27	-46.25
CN(C)C1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248570	1	44	-1.0	-47.56	345.56	1.26	-46.30
COCCOCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248571	0	51	-1.0	-49.67	408.03	2.51	-47.16
COCCOCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248571	1	51	-1.0	-49.69	408.08	2.53	-47.16
COC(=O)C1=CN=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248572	0	42	-1.0	-47.63	362.92	1.89	-45.74
COC(=O)C1=CN=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248572	1	42	-1.0	-47.63	362.86	1.87	-45.76
CC1(C)CCC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2O1	REAL300020248573	0	51	-1.0	-52.08	387.71	4.39	-47.69
CC1(C)CCC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2O1	REAL300020248573	1	51	-1.0	-52.08	387.78	4.41	-47.67
COC1=CN=C(F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248574	0	40	-1.0	-49.15	328.48	0.00	-49.15
COC1=CN=C(F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248574	1	40	-1.0	-49.15	328.40	-0.02	-49.17
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CS1	REAL300020248575	0	37	-1.0	-46.01	307.53	2.31	-43.70
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CS1	REAL300020248575	1	37	-1.0	-45.99	307.60	2.31	-43.68
O=C(NC1=C2CCCCN2N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248576	0	44	-1.0	-48.80	341.86	1.82	-46.98
O=C(NC1=C2CCCCN2N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248576	1	44	-1.0	-48.79	341.92	1.84	-46.95
CC1=CC=C(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248577	0	47	-1.0	-50.09	388.07	6.41	-43.68
CC1=CC=C(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248577	1	47	-1.0	-50.13	388.11	6.42	-43.71
C[NH+]1CCC(N2C=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=N2)CC1	REAL300020248578	0	53	0.0	-76.22	401.10	3.32	-72.90
C[NH+]1CCC(N2C=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=N2)CC1	REAL300020248578	1	53	0.0	-76.21	401.04	3.33	-72.88
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NC(C)=N1	REAL300020248579	0	41	-1.0	-48.51	332.94	2.54	-45.97
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NC(C)=N1	REAL300020248579	1	41	-1.0	-48.54	333.01	2.57	-45.97
CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020248580	0	43	-1.0	-46.52	343.86	-1.69	-48.21
CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C(N)=O	REAL300020248580	1	43	-1.0	-46.56	343.93	-1.67	-48.23
O=C([N-]C1=NC(C2CCCCC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248581	0	48	-2.0	-110.26	383.06	3.26	-107.00
O=C([N-]C1=NC(C2CCCCC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248581	1	48	-2.0	-110.31	383.11	3.26	-107.05
O=C(NC1=NC(C2CCCCC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248581	1	49	-1.0	-47.61	385.67	4.38	-43.23
O=C(NC1=NC(C2CCCCC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248581	1	49	-1.0	-47.65	385.72	4.38	-43.27
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020248582	0	41	-1.0	-48.68	333.43	1.86	-46.82
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020248582	1	41	-1.0	-48.71	333.50	1.87	-46.84
N#CC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248583	0	38	-1.0	-45.12	326.11	3.02	-42.10
N#CC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248583	1	38	-1.0	-45.15	326.20	3.02	-42.13
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CC=NC=C2C=C1	REAL300020248584	0	45	-1.0	-50.94	354.99	3.95	-46.99
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CC=NC=C2C=C1	REAL300020248584	1	45	-1.0	-50.99	355.05	3.96	-47.03
O=C(NC1=CC=C(C(=O)C(F)(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248585	0	42	-1.0	-44.42	356.06	3.38	-41.04
O=C(NC1=CC=C(C(=O)C(F)(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248585	1	42	-1.0	-44.38	356.12	3.39	-40.99
O=C(NC1=CC=C2OC=CC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248586	0	40	-1.0	-48.90	325.82	2.88	-46.02
O=C(NC1=CC=C2OC=CC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248586	1	40	-1.0	-48.91	325.89	2.89	-46.02
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248587	0	37	-1.0	-49.05	300.62	0.25	-48.80
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248587	1	37	-1.0	-49.09	300.56	0.25	-48.84
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248588	0	44	-1.0	-46.65	360.39	4.83	-41.82
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248588	1	44	-1.0	-46.64	360.33	4.83	-41.81
O=C(NC1=CC(F)=C(F)C(F)=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248589	0	37	-1.0	-43.06	322.83	2.76	-40.30
O=C(NC1=CC(F)=C(F)C(F)=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248589	1	37	-1.0	-43.04	322.90	2.77	-40.27
O=C(NC1=CC=C(F)C(C(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248590	0	40	-1.0	-46.43	336.69	3.50	-42.93
O=C(NC1=CC=C(F)C(C(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248590	1	40	-1.0	-46.42	336.75	3.52	-42.90
O=C(NC1=NN(CCF)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248591	0	40	-1.0	-51.23	328.56	2.19	-49.04
O=C(NC1=NN(CCF)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248591	1	40	-1.0	-51.22	328.51	2.17	-49.05
NS(=O)(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CS1	REAL300020248592	0	39	-1.0	-50.93	343.97	-3.51	-54.44
NS(=O)(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CS1	REAL300020248592	1	39	-1.0	-50.96	344.03	-3.49	-54.45
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C#N	REAL300020248593	0	42	-1.0	-49.03	347.20	2.27	-46.76
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C#N	REAL300020248593	1	42	-1.0	-49.03	347.26	2.29	-46.74
CCC(F)(F)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248594	0	46	-1.0	-55.36	363.54	4.95	-50.41
CCC(F)(F)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248594	1	46	-1.0	-55.39	363.61	4.95	-50.44
O=C(NC1=CC=CC2=NC=CN=C12)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248595	0	41	-1.0	-52.70	333.51	1.07	-51.63
O=C(NC1=CC=CC2=NC=CN=C12)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248595	1	41	-1.0	-52.66	333.44	1.05	-51.61
O=C(NC1=CC=C2NC(=O)CSC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248596	0	43	-1.0	-48.33	357.55	1.57	-46.76
O=C(NC1=CC=C2NC(=O)CSC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248596	1	43	-1.0	-48.31	357.61	1.58	-46.73
O=C(NC1=CC(Cl)=CC(Cl)=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248597	0	37	-1.0	-45.06	336.86	3.59	-41.47
O=C(NC1=CC(Cl)=CC(Cl)=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248597	1	37	-1.0	-45.04	336.93	3.60	-41.44
O=C(NC1=CC=NN1CC1CCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248598	0	47	-1.0	-45.32	367.11	4.12	-41.20
O=C(NC1=CC=NN1CC1CCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248598	1	47	-1.0	-45.36	367.05	4.11	-41.25
O=C(NC1=CN=CC(C(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248599	0	39	-1.0	-48.71	326.61	1.72	-46.99
O=C(NC1=CN=CC(C(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248599	1	39	-1.0	-48.75	326.56	1.70	-47.05
COC1=CC=CC(Cl)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248600	0	41	-1.0	-52.06	342.39	3.65	-48.41
COC1=CC=CC(Cl)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248600	1	41	-1.0	-52.07	342.46	3.65	-48.42
O=C(NC1=CC(F)=CC(OC(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248601	0	41	-1.0	-47.23	344.50	2.20	-45.03
O=C(NC1=CC(F)=CC(OC(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248601	1	41	-1.0	-47.25	344.58	2.21	-45.04
O=C(NC1=C(F)C=CC2=C1OCO2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248602	0	40	-1.0	-51.37	328.62	2.09	-49.28
O=C(NC1=C(F)C=CC2=C1OCO2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248602	1	40	-1.0	-51.40	328.68	2.12	-49.28
CN1N=NN=C1C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248603	0	45	-1.0	-63.21	365.55	2.11	-61.10
CN1N=NN=C1C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248603	1	45	-1.0	-63.27	365.61	2.12	-61.15
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020248604	0	45	-1.0	-46.39	358.40	2.08	-44.31
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020248604	1	45	-1.0	-46.41	358.46	2.11	-44.30
CC(F)(F)C1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248605	0	43	-1.0	-50.84	351.43	4.33	-46.51
CC(F)(F)C1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248605	1	43	-1.0	-50.85	351.50	4.35	-46.50
CC(F)(F)C1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248606	0	43	-1.0	-52.23	347.55	4.23	-48.00
CC(F)(F)C1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248606	1	43	-1.0	-52.32	347.62	4.23	-48.09
COCC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1OC	REAL300020248607	0	48	-1.0	-48.58	379.21	1.78	-46.80
COCC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1OC	REAL300020248607	1	48	-1.0	-48.61	379.26	1.81	-46.80
CN1CCN2N=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1	REAL300020248608	0	46	-1.0	-51.38	353.17	-0.05	-51.43
CN1CCN2N=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1	REAL300020248608	1	46	-1.0	-51.36	353.23	-0.05	-51.41
CCOC(=O)C=CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248609	0	50	-1.0	-48.53	405.66	5.46	-43.07
CCOC(=O)C=CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248609	1	50	-1.0	-48.48	405.72	5.46	-43.02
COC1=CC=C(C2CC2)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248610	0	48	-1.0	-49.53	372.91	4.09	-45.44
COC1=CC=C(C2CC2)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248610	1	48	-1.0	-49.55	372.97	4.10	-45.45
O=C(NC1=CC=C(C2CC2)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248611	0	44	-1.0	-48.31	353.26	4.76	-43.55
O=C(NC1=CC=C(C2CC2)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248611	1	44	-1.0	-48.31	353.32	4.78	-43.53
O=C(NC1=CC=CC2=C1OCCCO2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248612	0	46	-1.0	-50.67	360.27	2.56	-48.11
O=C(NC1=CC=CC2=C1OCCCO2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248612	1	46	-1.0	-50.69	360.33	2.56	-48.13
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(S(C)(=O)=O)=C1	REAL300020248613	0	46	-1.0	-54.80	380.48	0.72	-54.08
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(S(C)(=O)=O)=C1	REAL300020248613	1	46	-1.0	-54.78	380.56	0.74	-54.04
COC(=O)C1=C(C)SC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248614	0	46	-1.0	-55.14	389.61	3.82	-51.32
COC(=O)C1=C(C)SC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248614	1	46	-1.0	-55.11	389.82	3.80	-51.31
COC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248615	0	41	-1.0	-45.81	331.59	-0.94	-46.75
COC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248615	1	41	-1.0	-45.88	331.54	-0.96	-46.84
CS(C)(=O)=NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248616	0	47	-1.0	-63.71	378.03	0.89	-62.82
CS(C)(=O)=NC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248616	1	47	-1.0	-63.72	378.08	0.90	-62.82
O=C(NC1=CN=CC=C1C1=CC=C(F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248617	0	46	-1.0	-49.13	376.83	4.71	-44.42
O=C(NC1=CN=CC=C1C1=CC=C(F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248617	1	46	-1.0	-49.15	376.76	4.70	-44.45
CN1C(=O)COC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C21	REAL300020248618	0	46	-1.0	-51.65	360.55	2.32	-49.33
CN1C(=O)COC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C21	REAL300020248618	1	46	-1.0	-51.67	360.62	2.31	-49.36
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020248619	0	43	-1.0	-48.40	357.18	3.30	-45.10
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020248619	1	43	-1.0	-48.39	357.23	3.32	-45.07
N#CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248620	0	40	-1.0	-58.57	336.52	3.31	-55.26
N#CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248620	1	40	-1.0	-58.58	336.59	3.33	-55.25
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248621	0	50	-1.0	-53.82	405.44	5.96	-47.86
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248621	1	50	-1.0	-53.80	405.38	5.95	-47.85
N#CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C1CC1	REAL300020248622	0	45	-1.0	-47.34	365.50	4.88	-42.46
N#CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C1CC1	REAL300020248622	1	45	-1.0	-47.28	365.55	4.90	-42.38
COC1=CC=NC(OC)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248623	0	44	-1.0	-53.59	353.85	-0.24	-53.83
COC1=CC=NC(OC)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248623	1	44	-1.0	-53.59	353.79	-0.25	-53.84
COC(=O)CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248624	0	49	-1.0	-49.89	395.84	4.80	-45.09
COC(=O)CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248624	1	49	-1.0	-49.87	395.89	4.82	-45.05
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN=C1C	REAL300020248625	0	42	-1.0	-47.45	331.12	2.01	-45.44
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN=C1C	REAL300020248625	1	42	-1.0	-47.45	331.18	2.02	-45.43
CCC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248626	0	50	-1.0	-53.04	394.87	3.97	-49.07
CCC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248626	1	50	-1.0	-53.10	394.92	3.99	-49.11
CNC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248627	0	49	-1.0	-53.92	389.18	2.07	-51.85
CNC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248627	1	49	-1.0	-53.90	389.23	2.08	-51.82
CC1(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)COC(=O)N1	REAL300020248628	0	49	-1.0	-55.90	386.25	1.23	-54.67
CC1(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)COC(=O)N1	REAL300020248628	1	49	-1.0	-55.92	386.30	1.25	-54.67
CC(=O)C1=C(C)C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020248629	0	48	-1.0	-49.24	382.12	4.23	-45.01
CC(=O)C1=C(C)C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020248629	1	48	-1.0	-49.25	382.18	4.24	-45.01
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020248630	0	49	-1.0	-46.06	375.66	4.80	-41.26
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020248630	1	49	-1.0	-46.10	375.72	4.82	-41.28
O=C(NC1=CSC=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248631	0	34	-1.0	-46.70	302.17	1.95	-44.75
O=C(NC1=CSC=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248631	1	34	-1.0	-46.67	302.24	1.97	-44.70
CCOC(=O)C1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248632	0	46	-1.0	-52.11	375.97	4.46	-47.65
CCOC(=O)C1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248632	1	46	-1.0	-52.15	376.05	4.48	-47.67
CC1=CC(F)=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248633	0	41	-1.0	-45.76	342.15	3.83	-41.93
CC1=CC(F)=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248633	1	41	-1.0	-45.80	342.22	3.84	-41.96
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C1=CSC=C1	REAL300020248634	0	47	-1.0	-47.84	384.63	5.73	-42.11
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C1=CSC=C1	REAL300020248634	1	47	-1.0	-47.85	384.69	5.74	-42.11
O=C(NC1=CC=C2CCCCC2=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248635	0	46	-1.0	-50.64	357.63	4.64	-46.00
O=C(NC1=CC=C2CCCCC2=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248635	1	46	-1.0	-50.64	357.70	4.66	-45.98
CN(C)C1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248636	0	45	-1.0	-47.33	357.20	2.52	-44.81
CN(C)C1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248636	1	45	-1.0	-47.32	357.27	2.52	-44.80
O=C(NC1=CC2=CC=C(F)C(F)=C2N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248637	0	42	-1.0	-48.38	351.29	3.11	-45.27
O=C(NC1=CC2=CC=C(F)C(F)=C2N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248637	1	42	-1.0	-48.40	351.24	3.10	-45.30
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1N1CCCC1	REAL300020248638	0	52	-1.0	-47.67	387.69	3.76	-43.91
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1N1CCCC1	REAL300020248638	1	52	-1.0	-47.65	387.75	3.77	-43.88
O=C(NC1=CN=CC=C1C(F)(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248639	0	39	-1.0	-48.54	328.56	1.98	-46.56
O=C(NC1=CN=CC=C1C(F)(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248639	1	39	-1.0	-48.52	328.48	1.97	-46.55
CC1=CC(C(F)(F)F)=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248640	0	46	-1.0	-44.92	373.48	5.11	-39.81
CC1=CC(C(F)(F)F)=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248640	1	46	-1.0	-44.94	373.54	5.12	-39.82
O=C(NC1=CC=C2CC(=O)NC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248641	0	42	-1.0	-49.34	339.55	1.06	-48.28
O=C(NC1=CC=C2CC(=O)NC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248641	1	42	-1.0	-49.33	339.62	1.08	-48.25
O=C(NC1=CC=C2OC3(C=CC2=C1)CCC3)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248642	0	50	-1.0	-47.99	391.68	5.06	-42.93
O=C(NC1=CC=C2OC3(C=CC2=C1)CCC3)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248642	1	50	-1.0	-47.97	391.74	5.06	-42.91
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1OC	REAL300020248643	0	45	-1.0	-50.73	359.04	1.84	-48.89
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1OC	REAL300020248643	1	45	-1.0	-50.72	359.11	1.86	-48.86
CC1=CC(C)=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C12	REAL300020248644	0	48	-1.0	-48.80	378.26	4.11	-44.69
CC1=CC(C)=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C12	REAL300020248644	1	48	-1.0	-48.86	378.31	4.13	-44.73
O=C(NC1=CN=CC(Cl)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248645	0	36	-1.0	-44.04	309.14	1.30	-42.74
O=C(NC1=CN=CC(Cl)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248645	1	36	-1.0	-44.04	309.08	1.29	-42.75
O=C(NC1=CC(C2CCCC(=O)N2)=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248646	0	51	-1.0	-49.92	398.53	2.94	-46.98
O=C(NC1=CC(C2CCCC(=O)N2)=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248646	1	51	-1.0	-49.93	398.60	2.95	-46.98
CC(C)(C)OCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248647	0	53	-1.0	-46.72	405.29	4.71	-42.01
CC(C)(C)OCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248647	1	53	-1.0	-46.73	405.36	4.71	-42.02
CCC1=CC(C(=O)OC)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248648	0	49	-1.0	-46.77	391.56	4.85	-41.92
CCC1=CC(C(=O)OC)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248648	1	49	-1.0	-46.79	391.63	4.86	-41.93
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248649	0	38	-2.0	-105.08	323.72	0.02	-105.06
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248649	1	38	-2.0	-105.07	323.77	0.04	-105.03
CC1=NC(C)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248649	1	39	-1.0	-46.44	324.41	1.04	-45.40
CC1=NC(C)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248649	1	39	-1.0	-46.43	324.48	1.04	-45.39
CC1=NOC(C(C)C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248650	0	45	-1.0	-44.65	357.42	2.72	-41.93
CC1=NOC(C(C)C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248650	1	45	-1.0	-44.67	357.48	2.72	-41.95
O=C(NC1=CN(C2CCCC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248651	0	47	-1.0	-47.70	363.47	2.90	-44.80
O=C(NC1=CN(C2CCCC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248651	1	47	-1.0	-47.60	363.41	2.90	-44.70
CN(C(=O)C1CC1)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248652	0	51	-1.0	-53.14	407.36	4.77	-48.37
CN(C(=O)C1CC1)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248652	1	51	-1.0	-53.15	407.43	4.78	-48.37
COC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248653	0	41	-1.0	-45.81	331.59	-0.94	-46.75
COC1=NN(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248653	1	41	-1.0	-45.88	331.54	-0.96	-46.84
CN(C)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020248654	0	45	-1.0	-44.52	368.11	2.79	-41.73
CN(C)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020248654	1	45	-1.0	-44.52	368.16	2.81	-41.71
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020248655	0	40	-1.0	-46.06	332.93	3.65	-42.41
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020248655	1	40	-1.0	-46.07	332.99	3.67	-42.40
CC1CC(C)(C)C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C21	REAL300020248656	0	53	-1.0	-47.56	399.70	6.44	-41.12
CC1CC(C)(C)C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C21	REAL300020248656	1	53	-1.0	-47.56	399.77	6.46	-41.10
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248657	0	45	-1.0	-46.48	353.80	2.63	-43.85
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248657	1	45	-1.0	-46.49	353.88	2.63	-43.86
CC1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2S1	REAL300020248658	0	42	-1.0	-49.06	351.49	2.65	-46.41
CC1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2S1	REAL300020248658	1	42	-1.0	-49.07	351.56	2.66	-46.41
CC1=NC(C(N)=O)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248659	0	43	-1.0	-46.08	348.72	-1.63	-47.71
CC1=NC(C(N)=O)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248659	1	43	-1.0	-46.07	348.79	-1.62	-47.69
O=C(NC1=CC=C(C2=NOC=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248660	0	43	-1.0	-50.57	352.01	3.58	-46.99
O=C(NC1=CC=C(C2=NOC=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248660	1	43	-1.0	-50.53	351.94	3.57	-46.96
CC(C)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL300020248661	0	49	-1.0	-50.19	388.67	5.74	-44.45
CC(C)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL300020248661	1	49	-1.0	-50.22	388.76	5.76	-44.46
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020248662	0	47	-1.0	-48.46	372.92	4.16	-44.30
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020248662	1	47	-1.0	-48.41	372.99	4.17	-44.24
O=C(NC1=CC=CC(C2=NOC=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248663	0	43	-1.0	-54.83	352.05	3.53	-51.30
O=C(NC1=CC=CC(C2=NOC=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248663	1	43	-1.0	-54.80	351.99	3.52	-51.28
O=C(NC1=CC=NN1C1CCOC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248664	0	45	-1.0	-46.34	355.18	1.48	-44.86
O=C(NC1=CC=NN1C1CCOC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248664	1	45	-1.0	-46.32	355.12	1.47	-44.85
CC(CC(N)=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248665	0	50	-1.0	-51.13	391.82	1.32	-49.81
CC(CC(N)=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248665	1	50	-1.0	-51.07	391.88	1.34	-49.73
O=C(NC1=CN=C(F)C(Cl)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248666	0	36	-1.0	-42.99	315.03	1.24	-41.75
O=C(NC1=CN=C(F)C(Cl)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248666	1	36	-1.0	-42.99	314.97	1.23	-41.76
COC1=CC(Cl)=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248667	0	41	-1.0	-46.54	349.46	2.47	-44.07
COC1=CC(Cl)=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248667	1	41	-1.0	-46.51	349.53	2.48	-44.03
COC(=O)C1=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020248668	0	45	-1.0	-51.61	366.52	3.33	-48.28
COC(=O)C1=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020248668	1	45	-1.0	-51.58	366.45	3.34	-48.24
CCC(=O)N1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020248669	0	51	-1.0	-60.22	399.25	4.47	-55.75
CCC(=O)N1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020248669	1	51	-1.0	-60.22	399.32	4.49	-55.73
O=C(NC1=CN(C2CCC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248670	0	44	-1.0	-48.13	345.97	2.23	-45.90
O=C(NC1=CN(C2CCC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248670	1	44	-1.0	-48.08	345.91	2.23	-45.85
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(Cl)=N1	REAL300020248671	0	39	-1.0	-44.81	331.74	1.83	-42.98
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(Cl)=N1	REAL300020248671	1	39	-1.0	-44.80	331.80	1.84	-42.96
CC(C)(C)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248672	0	50	-1.0	-48.58	378.55	3.68	-44.90
CC(C)(C)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248672	1	50	-1.0	-48.58	378.61	3.70	-44.88
CC1=C(Br)C=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248673	0	39	-1.0	-43.81	330.21	2.01	-41.80
CC1=C(Br)C=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248673	1	39	-1.0	-43.82	330.27	2.03	-41.79
COC(=O)C1=CC(C)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248674	0	46	-1.0	-47.90	373.78	3.93	-43.97
COC(=O)C1=CC(C)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248674	1	46	-1.0	-47.94	373.84	3.94	-44.00
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020248675	0	43	-1.0	-47.78	356.75	3.23	-44.55
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020248675	1	43	-1.0	-47.78	356.81	3.25	-44.53
C=CCN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020248676	0	47	-1.0	-49.28	382.26	3.90	-45.38
C=CCN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020248676	1	47	-1.0	-49.33	382.19	3.89	-45.44
O=C(NC1=CC=C(C(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248677	0	40	-1.0	-46.40	329.65	3.42	-42.98
O=C(NC1=CC=C(C(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248677	1	40	-1.0	-46.42	329.70	3.43	-42.99
CC1CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2O1	REAL300020248678	0	45	-1.0	-47.60	355.30	3.11	-44.49
CC1CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2O1	REAL300020248678	1	45	-1.0	-47.60	355.37	3.13	-44.47
CC1=NOC(CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020248679	0	48	-1.0	-51.10	391.86	2.60	-48.50
CC1=NOC(CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020248679	1	48	-1.0	-51.03	391.91	2.61	-48.42
CC(C)(C)OCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248680	0	53	-1.0	-47.90	408.71	4.38	-43.52
CC(C)(C)OCC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248680	1	53	-1.0	-47.94	408.77	4.40	-43.54
O=C(NC1=CC=CC=C1OC1=CC=CC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248681	0	47	-1.0	-52.50	383.68	2.88	-49.62
O=C(NC1=CC=CC=C1OC1=CC=CC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248681	1	47	-1.0	-52.46	383.62	2.86	-49.60
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020248682	0	39	-1.0	-47.59	340.35	4.35	-43.24
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020248682	1	39	-1.0	-47.63	340.43	4.36	-43.27
CC(C)C1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248683	0	45	-1.0	-45.88	352.79	2.69	-43.19
CC(C)C1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248683	1	45	-1.0	-45.90	352.73	2.67	-43.23
CC(C)N1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248684	0	43	-1.0	-48.31	340.83	1.64	-46.67
CC(C)N1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248684	1	43	-1.0	-48.32	340.77	1.63	-46.69
CCC1=NC(OC)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248685	0	46	-1.0	-45.04	365.00	0.75	-44.29
CCC1=NC(OC)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248685	1	46	-1.0	-45.08	365.06	0.77	-44.31
CN1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1=O	REAL300020248686	0	45	-1.0	-56.16	362.92	2.40	-53.76
CN1CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1=O	REAL300020248686	1	45	-1.0	-56.18	362.99	2.42	-53.76
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020248687	0	44	-1.0	-48.59	356.80	2.86	-45.73
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020248687	1	44	-1.0	-48.57	356.85	2.88	-45.69
CC1=CC(OC(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248688	0	44	-1.0	-48.83	356.18	3.00	-45.83
CC1=CC(OC(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248688	1	44	-1.0	-48.83	356.25	3.01	-45.82
CCC1CCCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)S2	REAL300020248689	0	48	-2.0	-112.39	380.48	3.90	-108.49
CCC1CCCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)S2	REAL300020248689	1	48	-2.0	-112.38	380.53	3.91	-108.47
CCC1CCCC2=C1N=C(NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)S2	REAL300020248689	1	49	-1.0	-48.07	382.98	5.03	-43.04
CCC1CCCC2=C1N=C(NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)S2	REAL300020248689	1	49	-1.0	-48.07	383.04	5.04	-43.03
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020248690	0	46	-1.0	-47.32	373.18	5.02	-42.30
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020248690	1	46	-1.0	-47.32	373.25	5.02	-42.30
O=C(NC1=CC=C2CCCNC(=O)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248691	0	48	-1.0	-54.48	374.01	1.69	-52.79
O=C(NC1=CC=C2CCCNC(=O)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248691	1	48	-1.0	-54.49	374.07	1.71	-52.78
CCC1=CC(OC)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020248692	0	50	-1.0	-50.65	385.10	3.82	-46.83
CCC1=CC(OC)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020248692	1	50	-1.0	-50.68	385.17	3.83	-46.85
O=C(NC1=CC=C(OCCF)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248693	0	44	-1.0	-48.87	355.78	2.99	-45.88
O=C(NC1=CC=C(OCCF)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248693	1	44	-1.0	-48.88	355.84	2.99	-45.89
O=C(NC1=CC=CC(C(=O)C(F)(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248694	0	42	-1.0	-48.38	356.67	3.44	-44.94
O=C(NC1=CC=CC(C(=O)C(F)(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248694	1	42	-1.0	-48.37	356.72	3.45	-44.92
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(S(N)(=O)=O)=C1	REAL300020248695	0	45	-1.0	-52.98	374.02	-1.85	-54.83
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(S(N)(=O)=O)=C1	REAL300020248695	1	45	-1.0	-52.98	374.09	-1.83	-54.81
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)=NO1	REAL300020248696	0	45	-1.0	-49.79	370.70	1.89	-47.90
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)=NO1	REAL300020248696	1	45	-1.0	-49.77	370.64	1.87	-47.90
CC1=CC(C(F)(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248697	0	43	-1.0	-44.36	354.25	4.42	-39.94
CC1=CC(C(F)(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248697	1	43	-1.0	-44.37	354.32	4.41	-39.96
O=C(NC1=NN2CCCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248698	0	41	-1.0	-53.99	324.10	2.02	-51.97
O=C(NC1=NN2CCCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248698	1	41	-1.0	-53.95	324.16	2.02	-51.93
COC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248699	0	43	-1.0	-51.77	358.78	3.27	-48.50
COC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248699	1	43	-1.0	-51.78	358.85	3.28	-48.50
CC1=NC=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248700	0	38	-1.0	-44.71	305.60	1.35	-43.36
CC1=NC=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248700	1	38	-1.0	-44.71	305.67	1.36	-43.35
CN1N=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C(F)F	REAL300020248701	0	39	-1.0	-52.72	324.93	0.87	-51.85
CN1N=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C(F)F	REAL300020248701	1	39	-1.0	-52.73	324.99	0.89	-51.84
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248702	0	48	-1.0	-46.48	372.99	3.39	-43.09
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248702	1	48	-1.0	-46.46	372.91	3.41	-43.05
O=C(NC1=CC2=C(C=N1)CCCCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248703	0	49	-1.0	-49.96	372.76	5.19	-44.77
O=C(NC1=CC2=C(C=N1)CCCCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248703	1	49	-1.0	-49.95	372.84	5.21	-44.74
O=C(NC1=CC=NN1C1CCCOC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248704	0	48	-1.0	-46.70	373.28	2.24	-44.46
O=C(NC1=CC=NN1C1CCCOC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248704	1	48	-1.0	-46.72	373.22	2.22	-44.50
O=C(NC1=CC=NN1C1CCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248705	0	44	-1.0	-45.79	344.57	3.49	-42.30
O=C(NC1=CC=NN1C1CCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248705	1	44	-1.0	-45.76	344.51	3.48	-42.28
O=C([N-]C1=NC(C(F)F)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248706	0	35	-2.0	-105.76	314.32	0.39	-105.37
O=C([N-]C1=NC(C(F)F)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248706	1	35	-2.0	-105.79	314.38	0.41	-105.38
O=C(NC1=NC(C(F)F)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248706	1	36	-1.0	-45.63	317.72	1.47	-44.16
O=C(NC1=NC(C(F)F)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248706	1	36	-1.0	-45.64	317.78	1.48	-44.16
O=C(NC1=CC=NN1C1CCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248707	0	44	-1.0	-45.79	344.57	3.49	-42.30
O=C(NC1=CC=NN1C1CCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248707	1	44	-1.0	-45.76	344.51	3.48	-42.28
C=C(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248708	0	44	-1.0	-47.28	354.11	4.50	-42.78
C=C(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248708	1	44	-1.0	-47.27	354.17	4.52	-42.75
CN1C=C(C2=NSC([N-]C(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)C=N1	REAL300020248709	0	41	-2.0	-108.17	360.08	0.60	-107.57
CN1C=C(C2=NSC([N-]C(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)C=N1	REAL300020248709	1	41	-2.0	-108.13	360.02	0.60	-107.53
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020248710	0	43	-1.0	-46.53	364.72	3.60	-42.93
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020248710	1	43	-1.0	-46.55	364.78	3.62	-42.93
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN=C1C(F)F	REAL300020248711	0	42	-1.0	-44.66	342.28	2.16	-42.50
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN=C1C(F)F	REAL300020248711	1	42	-1.0	-44.68	342.34	2.17	-42.51
O=C(NC1=CC=NN1C1CCOCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248712	0	48	-1.0	-45.49	373.34	2.24	-43.25
O=C(NC1=CC=NN1C1CCOCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248712	1	48	-1.0	-45.48	373.28	2.23	-43.25
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248713	0	39	-1.0	-46.81	324.74	3.75	-43.06
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248713	1	39	-1.0	-46.78	324.79	3.77	-43.01
CN1N=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C(F)F	REAL300020248714	0	40	-1.0	-49.56	332.79	1.95	-47.61
CN1N=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C(F)F	REAL300020248714	1	40	-1.0	-49.57	332.85	1.95	-47.62
COC1=NC(C(N)=O)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248715	0	44	-1.0	-48.35	361.31	-3.76	-52.11
COC1=NC(C(N)=O)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248715	1	44	-1.0	-48.33	361.24	-3.76	-52.09
COC(=O)C1=CN(C)N=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248716	0	43	-1.0	-60.92	356.63	2.19	-58.73
COC(=O)C1=CN(C)N=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248716	1	43	-1.0	-60.96	356.57	2.18	-58.78
O=C(NC1=CN=C2C(=C1)CNC2=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248717	0	41	-1.0	-53.70	335.94	-1.77	-55.47
O=C(NC1=CN=C2C(=C1)CNC2=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248717	1	41	-1.0	-53.67	335.53	-1.75	-55.42
CCN1C=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248718	0	39	-1.0	-54.96	319.53	4.49	-50.47
CCN1C=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248718	1	39	-1.0	-54.97	319.48	4.48	-50.49
O=C(NC1=CC=NN1C1CC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248719	0	41	-1.0	-45.96	330.45	2.81	-43.15
O=C(NC1=CC=NN1C1CC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248719	1	41	-1.0	-45.97	330.40	2.79	-43.18
O=C(NC1=NN(C(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248720	0	37	-1.0	-47.99	313.80	1.39	-46.60
O=C(NC1=NN(C(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248720	1	37	-1.0	-47.97	313.74	1.37	-46.60
CCCC1=NC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248721	0	44	-1.0	-48.50	354.36	3.36	-45.14
CCCC1=NC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248721	1	44	-1.0	-48.49	354.42	3.37	-45.12
COCCN1C=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248722	0	43	-1.0	-53.83	353.21	3.54	-50.29
COCCN1C=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248722	1	43	-1.0	-53.82	353.15	3.52	-50.30
CN1CCOC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C21	REAL300020248723	0	47	-1.0	-48.23	361.20	1.84	-46.39
CN1CCOC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C21	REAL300020248723	1	47	-1.0	-48.31	361.27	1.85	-46.46
O=C(NC1=CN2N=CC=C2N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248724	0	39	-1.0	-47.26	323.53	1.41	-45.85
O=C(NC1=CN2N=CC=C2N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248724	1	39	-1.0	-47.25	323.46	1.41	-45.84
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248725	0	56	0.0	-53.57	414.53	6.60	-46.97
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248725	1	56	0.0	-53.58	414.60	6.60	-46.98
O=C([N-]C1=NC(CC2CCOC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248726	0	46	-2.0	-112.10	375.50	1.38	-110.72
O=C([N-]C1=NC(CC2CCOC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248726	1	46	-2.0	-112.10	375.56	1.38	-110.72
O=C(NC1=NC(CC2CCOC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248726	1	47	-1.0	-50.49	377.45	2.61	-47.88
O=C(NC1=NC(CC2CCOC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248726	1	47	-1.0	-50.51	377.50	2.62	-47.89
COCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248727	0	42	-2.0	-108.45	359.42	0.60	-107.85
COCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248727	1	42	-2.0	-108.48	359.37	0.60	-107.88
COCCC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248727	1	43	-1.0	-47.91	362.03	1.72	-46.19
COCCC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248727	1	43	-1.0	-47.90	361.97	1.72	-46.18
CCOC(=O)C1=CN(CC)N=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248728	0	49	-1.0	-60.80	400.00	4.00	-56.80
CCOC(=O)C1=CN(CC)N=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248728	1	49	-1.0	-60.83	399.94	3.98	-56.85
CN1N=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020248729	0	43	-1.0	-51.91	350.38	3.70	-48.21
CN1N=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020248729	1	43	-1.0	-51.87	350.32	3.70	-48.17
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(OC(F)F)=C1	REAL300020248730	0	44	-1.0	-49.36	358.13	2.90	-46.46
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(OC(F)F)=C1	REAL300020248730	1	44	-1.0	-49.38	358.20	2.91	-46.47
CC1=CC=C(OC(F)F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248731	0	44	-1.0	-49.42	358.05	2.86	-46.56
CC1=CC=C(OC(F)F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248731	1	44	-1.0	-49.38	358.12	2.87	-46.51
CN1C=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)C=N1	REAL300020248732	0	47	-1.0	-51.30	378.56	3.83	-47.47
CN1C=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)C=N1	REAL300020248732	1	47	-1.0	-51.29	378.49	3.82	-47.47
CCCCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020248733	0	51	-1.0	-46.25	397.13	4.53	-41.72
CCCCC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020248733	1	51	-1.0	-46.27	397.20	4.53	-41.74
O=C(NC1=NOC2=C1CCCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248734	0	43	-1.0	-49.91	338.86	3.71	-46.20
O=C(NC1=NOC2=C1CCCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248734	1	43	-1.0	-49.92	338.92	3.73	-46.19
O=C(NC1=CC=C2CCOC(=O)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248735	0	44	-1.0	-55.12	353.26	3.50	-51.62
O=C(NC1=CC=C2CCOC(=O)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248735	1	44	-1.0	-55.12	353.31	3.51	-51.61
CCC1=NN(C)C(CC)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248736	0	49	-1.0	-48.89	377.61	2.81	-46.08
CCC1=NN(C)C(CC)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248736	1	49	-1.0	-48.87	377.67	2.81	-46.06
CCC1=CC=CC(OC)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248737	0	47	-1.0	-51.14	366.19	4.70	-46.44
CCC1=CC=CC(OC)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248737	1	47	-1.0	-51.10	366.26	4.70	-46.40
CCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248738	0	44	-1.0	-49.33	355.01	2.84	-46.49
CCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248738	1	44	-1.0	-49.28	355.08	2.85	-46.43
O=C(NC1=CN=C(F)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248739	0	36	-1.0	-43.05	305.13	0.81	-42.24
O=C(NC1=CN=C(F)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248739	1	36	-1.0	-43.04	305.07	0.79	-42.25
CCCCC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248740	0	51	-1.0	-46.79	397.25	4.50	-42.29
CCCCC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248740	1	51	-1.0	-46.83	397.32	4.50	-42.33
CN1C=C(C2=CC=NC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248741	0	46	-1.0	-54.78	374.52	2.33	-52.45
CN1C=C(C2=CC=NC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248741	1	46	-1.0	-54.79	374.46	2.31	-52.48
O=C(NC1=CC=CC=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248742	0	37	-1.0	-48.50	313.13	3.16	-45.34
O=C(NC1=CC=CC=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248742	1	37	-1.0	-48.48	313.20	3.19	-45.29
O=C(NC1=CC=CC(N2C(=O)CCC2=O)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248743	0	47	-1.0	-56.80	382.79	3.08	-53.72
O=C(NC1=CC=CC(N2C(=O)CCC2=O)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248743	1	47	-1.0	-56.82	382.85	3.11	-53.71
O=C(NC1=CC=C(N2C(=O)CCC2=O)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248744	0	47	-1.0	-55.51	383.53	3.00	-52.51
O=C(NC1=CC=C(N2C(=O)CCC2=O)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248744	1	47	-1.0	-55.52	383.60	3.02	-52.50
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020248745	0	42	-1.0	-47.23	347.57	3.95	-43.28
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020248745	1	42	-1.0	-47.29	347.64	3.96	-43.33
CC1=CN=C(F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248746	0	39	-1.0	-49.67	320.35	1.37	-48.30
CC1=CN=C(F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248746	1	39	-1.0	-49.63	320.29	1.36	-48.27
O=C(NC1=NN2CCC(=O)NC2=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248747	0	41	-1.0	-52.67	336.33	3.47	-49.20
O=C(NC1=NN2CCC(=O)NC2=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248747	1	41	-1.0	-52.67	336.27	3.46	-49.21
CCC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020248748	0	45	-1.0	-47.18	365.16	3.93	-43.25
CCC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020248748	1	45	-1.0	-47.21	365.22	3.93	-43.28
CC1=NC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248749	0	39	-1.0	-44.38	318.28	1.49	-42.89
CC1=NC(F)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248749	1	39	-1.0	-44.39	318.36	1.50	-42.89
O=C(NC1=CC=CC(C(F)(F)CF)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248750	0	43	-1.0	-48.07	357.23	4.23	-43.84
O=C(NC1=CC=CC(C(F)(F)CF)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248750	1	43	-1.0	-48.08	357.29	4.25	-43.83
CC1(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)CC1	REAL300020248751	0	47	-1.0	-46.68	363.96	5.04	-41.64
CC1(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)CC1	REAL300020248751	1	47	-1.0	-46.68	364.02	5.05	-41.63
CC1(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020248752	0	47	-1.0	-46.46	364.43	5.10	-41.36
CC1(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020248752	1	47	-1.0	-46.43	364.49	5.10	-41.33
CC1(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)CC1	REAL300020248753	0	47	-1.0	-47.43	368.26	5.48	-41.95
CC1(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)CC1	REAL300020248753	1	47	-1.0	-47.47	368.32	5.48	-41.99
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL300020248754	0	46	-1.0	-50.70	360.20	5.52	-45.18
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL300020248754	1	46	-1.0	-50.71	360.27	5.54	-45.17
O=C(NC1=CN=CC(C(F)(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248755	0	39	-1.0	-44.23	331.72	1.83	-42.40
O=C(NC1=CN=CC(C(F)(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248755	1	39	-1.0	-44.22	331.66	1.82	-42.40
COC(=O)C1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248756	0	42	-1.0	-47.92	347.36	1.45	-46.47
COC(=O)C1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248756	1	42	-1.0	-47.92	347.31	1.43	-46.49
CN1N=C(C2CC2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248757	0	44	-1.0	-46.41	350.47	3.20	-43.21
CN1N=C(C2CC2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248757	1	44	-1.0	-46.43	350.53	3.21	-43.22
O=C(NC1=CC=CC=C1C1CCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248758	0	47	-1.0	-48.11	360.79	5.31	-42.80
O=C(NC1=CC=CC=C1C1CCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248758	1	47	-1.0	-48.13	360.86	5.34	-42.79
CC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020248759	0	43	-1.0	-49.56	343.05	3.84	-45.72
CC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020248759	1	43	-1.0	-49.57	343.13	3.84	-45.73
CC(C)OC1=CC(C#N)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248760	0	48	-1.0	-47.94	387.14	3.88	-44.06
CC(C)OC1=CC(C#N)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248760	1	48	-1.0	-47.95	387.21	3.88	-44.07
CCCN1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248761	0	43	-1.0	-45.52	342.18	2.79	-42.73
CCCN1N=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248761	1	43	-1.0	-45.49	342.12	2.78	-42.71
O=C(NC1=NC=C(OC2=CC=CC=C2)C=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248762	0	46	-1.0	-50.23	378.77	5.39	-44.84
O=C(NC1=NC=C(OC2=CC=CC=C2)C=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248762	1	46	-1.0	-50.23	378.70	5.38	-44.85
CC1(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)CC1(F)F	REAL300020248763	0	47	-1.0	-48.12	375.69	5.23	-42.89
CC1(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)CC1(F)F	REAL300020248763	1	47	-1.0	-48.11	375.75	5.25	-42.86
O=C(NC1=CC=CC(C(=O)C(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248764	0	42	-1.0	-47.90	350.69	3.29	-44.61
O=C(NC1=CC=CC(C(=O)C(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248764	1	42	-1.0	-47.89	350.76	3.31	-44.58
COC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248765	0	41	-1.0	-50.59	326.96	1.95	-48.64
COC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248765	1	41	-1.0	-50.61	327.03	1.96	-48.65
O=C(NC1=CC=CC2=CC(F)=CC=C21)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248766	0	43	-1.0	-47.19	347.89	4.92	-42.27
O=C(NC1=CC=CC2=CC(F)=CC=C21)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248766	1	43	-1.0	-47.18	347.96	4.93	-42.25
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(N2CCCCC2)=C1	REAL300020248767	0	55	-1.0	-47.38	412.76	4.52	-42.86
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(N2CCCCC2)=C1	REAL300020248767	1	55	-1.0	-47.43	412.83	4.52	-42.91
CC(C)C1=CC=C(C(C)C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248768	0	55	-1.0	-47.68	414.23	6.45	-41.23
CC(C)C1=CC=C(C(C)C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248768	1	55	-1.0	-47.63	414.30	6.47	-41.16
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(Cl)=N1	REAL300020248769	0	39	-1.0	-48.69	329.68	1.93	-46.76
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(Cl)=N1	REAL300020248769	1	39	-1.0	-48.71	329.76	1.95	-46.76
O=C(NC1=CC=C2CCOC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248770	0	42	-1.0	-48.84	333.45	2.45	-46.39
O=C(NC1=CC=C2CCOC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248770	1	42	-1.0	-48.86	333.51	2.46	-46.40
CC1=CC=C(N2CCCCC2)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248771	0	55	-1.0	-48.13	409.78	4.69	-43.44
CC1=CC=C(N2CCCCC2)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248771	1	55	-1.0	-48.12	409.85	4.70	-43.42
CCC1=CON=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248772	0	39	-1.0	-50.41	318.91	2.46	-47.95
CCC1=CON=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248772	1	39	-1.0	-50.43	318.85	2.46	-47.97
CN1C=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)C=N1	REAL300020248773	0	47	-1.0	-52.77	376.88	3.93	-48.84
CN1C=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)C=N1	REAL300020248773	1	47	-1.0	-53.01	377.87	3.85	-49.16
CC(C)(C)C(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248774	0	51	-1.0	-54.33	390.85	4.60	-49.73
CC(C)(C)C(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248774	1	51	-1.0	-54.33	390.90	4.61	-49.72
O=C(NC1=CC=CC=C1C1=NC=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248775	0	43	-1.0	-53.91	357.35	4.21	-49.70
O=C(NC1=CC=CC=C1C1=NC=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248775	1	43	-1.0	-53.97	357.30	4.20	-49.77
CC1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1F	REAL300020248776	0	40	-1.0	-51.46	327.89	3.32	-48.14
CC1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1F	REAL300020248776	1	40	-1.0	-51.48	327.94	3.33	-48.15
CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Br	REAL300020248777	0	39	-1.0	-44.39	332.05	1.92	-42.47
CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Br	REAL300020248777	1	39	-1.0	-44.38	332.11	1.94	-42.44
O=C(NC1=CC=C2OC=CC(=O)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248778	0	42	-1.0	-56.41	344.72	2.68	-53.73
O=C(NC1=CC=C2OC=CC(=O)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248778	1	42	-1.0	-56.46	344.77	2.69	-53.77
CC1=NN2C=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=NC2=C1	REAL300020248779	0	42	-1.0	-47.40	345.42	2.00	-45.40
CC1=NN2C=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=NC2=C1	REAL300020248779	1	42	-1.0	-47.44	345.49	2.00	-45.44
O=C(NC1=CC(F)=CC(Br)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248780	0	37	-1.0	-43.79	326.11	3.23	-40.56
O=C(NC1=CC(F)=CC(Br)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248780	1	37	-1.0	-43.78	326.17	3.24	-40.54
CC1(C)OC(=O)C2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020248781	0	47	-1.0	-52.50	378.68	4.24	-48.26
CC1(C)OC(=O)C2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020248781	1	47	-1.0	-52.49	378.75	4.26	-48.23
O=C(NC1=CC=C(OC2=CC=NC=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248782	0	46	-1.0	-48.89	379.36	2.84	-46.05
O=C(NC1=CC=C(OC2=CC=NC=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248782	1	46	-1.0	-48.86	379.29	2.82	-46.04
O=C([N-]C1=NC=C(CC2CCCO2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248783	0	46	-2.0	-113.83	381.84	1.97	-111.86
O=C([N-]C1=NC=C(CC2CCCO2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248783	1	46	-2.0	-113.79	381.78	1.96	-111.83
O=C(NC1=NC=C(CC2CCCO2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248783	1	47	-1.0	-49.82	384.44	3.09	-46.73
O=C(NC1=NC=C(CC2CCCO2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248783	1	47	-1.0	-49.76	384.39	3.07	-46.69
C[C@@H]1CC2=C(SC([N-]C(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)[C@H](C)O1	REAL300020248784	0	46	-2.0	-111.28	378.43	1.64	-109.64
C[C@@H]1CC2=C(SC([N-]C(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)[C@H](C)O1	REAL300020248784	1	46	-2.0	-111.32	378.48	1.65	-109.67
C[C@@H]1CC2=C(SC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)[C@H](C)O1	REAL300020248784	1	47	-1.0	-48.53	380.84	2.75	-45.78
C[C@@H]1CC2=C(SC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)[C@H](C)O1	REAL300020248784	1	47	-1.0	-48.56	380.90	2.75	-45.81
CCC1=C(C(=O)OC)SC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248785	0	46	-1.0	-45.81	380.60	3.56	-42.25
CCC1=C(C(=O)OC)SC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248785	1	46	-1.0	-45.75	380.66	3.55	-42.20
CN1C=C(C2=CC=NC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)C=N1	REAL300020248786	0	46	-1.0	-55.82	375.31	3.53	-52.29
CN1C=C(C2=CC=NC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)C=N1	REAL300020248786	1	46	-1.0	-55.78	375.24	3.52	-52.26
O=C(NC1=CC=C2CCCC(=O)NC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248787	0	48	-1.0	-50.79	372.88	2.68	-48.11
O=C(NC1=CC=C2CCCC(=O)NC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248787	1	48	-1.0	-50.77	372.94	2.69	-48.08
O=C(NC1=CC=CC(CF)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248788	0	40	-1.0	-47.68	325.47	3.37	-44.31
O=C(NC1=CC=CC(CF)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248788	1	40	-1.0	-47.71	325.53	3.38	-44.33
CN(C)C(=O)CCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248789	0	50	-1.0	-52.71	398.94	2.29	-50.42
CN(C)C(=O)CCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248789	1	50	-1.0	-52.69	398.89	2.27	-50.42
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CN=CC=C12	REAL300020248790	0	46	-1.0	-49.38	365.32	2.45	-46.93
COC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CN=CC=C12	REAL300020248790	1	46	-1.0	-49.39	365.25	2.45	-46.94
O=C(NC1=CC=C(C2CCCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248791	0	50	-1.0	-46.10	380.99	5.73	-40.37
O=C(NC1=CC=C(C2CCCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248791	1	50	-1.0	-46.09	381.06	5.75	-40.34
O=C(NC1=C(Cl)C2=NC=CN=C2C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248792	0	41	-1.0	-51.59	348.51	1.72	-49.87
O=C(NC1=C(Cl)C2=NC=CN=C2C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248792	1	41	-1.0	-51.63	348.44	1.70	-49.93
CC1=NC2=C(F)C=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2S1	REAL300020248793	0	42	-1.0	-47.39	357.87	2.87	-44.52
CC1=NC2=C(F)C=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2S1	REAL300020248793	1	42	-1.0	-47.37	357.93	2.89	-44.48
CCC1=C(C)N=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248794	0	41	-2.0	-112.07	344.81	1.98	-110.09
CCC1=C(C)N=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248794	1	41	-2.0	-112.07	344.86	1.99	-110.08
CCC1=C(C)N=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248794	1	42	-1.0	-48.74	347.41	3.09	-45.65
CCC1=C(C)N=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248794	1	42	-1.0	-48.71	347.47	3.10	-45.61
CCC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=N1	REAL300020248795	0	42	-1.0	-45.89	335.10	2.30	-43.59
CCC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=N1	REAL300020248795	1	42	-1.0	-45.91	335.15	2.30	-43.61
O=C([N-]C1=NC2=C(CC3=CC=CC=C32)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248796	0	43	-2.0	-118.30	367.26	4.18	-114.12
O=C([N-]C1=NC2=C(CC3=CC=CC=C32)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248796	1	43	-2.0	-118.30	367.32	4.19	-114.11
O=C(NC1=NC2=C(CC3=CC=CC=C32)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248796	1	44	-1.0	-51.91	369.87	5.28	-46.63
O=C([N-]C1=NC=C(CC2CCOC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248797	0	46	-2.0	-112.45	382.03	1.64	-110.81
O=C([N-]C1=NC=C(CC2CCOC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248797	1	46	-2.0	-112.45	381.97	1.64	-110.81
O=C(NC1=NC=C(CC2CCOC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248797	1	47	-1.0	-50.57	384.64	2.76	-47.81
O=C(NC1=NC=C(CC2CCOC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248797	1	47	-1.0	-50.58	384.58	2.76	-47.82
CNC(=O)CN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248798	0	44	-1.0	-64.95	359.39	-0.23	-65.18
CNC(=O)CN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248798	1	44	-1.0	-64.97	359.33	-0.24	-65.21
CC1=C2N=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CN2N=C1	REAL300020248799	0	42	-1.0	-47.52	345.43	2.10	-45.42
CC1=C2N=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CN2N=C1	REAL300020248799	1	42	-1.0	-47.51	345.36	2.09	-45.42
O=C(NC1=CN(CC2CCC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248800	0	47	-1.0	-48.74	370.05	3.20	-45.54
O=C(NC1=CN(CC2CCC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248800	1	47	-1.0	-48.71	370.00	3.19	-45.52
O=C(NC1=CC=C(N2C=CC=C2)C(Cl)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248801	0	45	-1.0	-45.45	376.23	5.93	-39.52
O=C(NC1=CC=C(N2C=CC=C2)C(Cl)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248801	1	45	-1.0	-45.46	376.28	5.95	-39.51
O=C(NC1=CC=CC(N2CCOCC2=O)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248802	0	49	-1.0	-54.11	389.59	1.99	-52.12
O=C(NC1=CC=CC(N2CCOCC2=O)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248802	1	49	-1.0	-54.14	389.65	2.01	-52.13
O=C(NC1=CC2=CC(F)=CC=C2N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248803	0	42	-1.0	-45.55	345.23	3.03	-42.52
O=C(NC1=CC2=CC(F)=CC=C2N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248803	1	42	-1.0	-45.60	345.18	3.01	-42.59
COCC1=C(C)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248804	0	47	-1.0	-49.05	367.53	3.00	-46.05
COCC1=C(C)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248804	1	47	-1.0	-49.11	367.60	3.02	-46.09
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C(F)F)=N1	REAL300020248805	0	40	-1.0	-50.70	331.65	1.22	-49.48
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C(F)F)=N1	REAL300020248805	1	40	-1.0	-50.77	331.71	1.22	-49.55
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300020248806	0	47	-1.0	-57.40	382.48	5.36	-52.04
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300020248806	1	47	-1.0	-57.43	382.54	5.39	-52.04
O=C(NC1=CC(Cl)=C(F)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248807	0	37	-1.0	-44.33	326.57	3.18	-41.15
O=C(NC1=CC(Cl)=C(F)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248807	1	37	-1.0	-44.31	326.64	3.18	-41.13
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248808	0	47	-1.0	-50.55	378.19	6.03	-44.52
O=C(NC1=CC(C2=CC=CC=C2)=CC=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248808	1	47	-1.0	-50.58	378.26	6.04	-44.54
CCC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248809	0	42	-1.0	-46.34	332.84	2.29	-44.05
CCC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248809	1	42	-1.0	-46.32	332.91	2.30	-44.02
O=C(NC1=CC=CN=C1C1=CC=CN=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248810	0	45	-1.0	-53.15	362.64	2.92	-50.23
O=C(NC1=CC=CN=C1C1=CC=CN=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248810	1	45	-1.0	-53.13	362.57	2.91	-50.22
O=C(NC1=CN=C2OCOC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248811	0	39	-1.0	-47.57	319.86	-1.80	-49.37
O=C(NC1=CN=C2OCOC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248811	1	39	-1.0	-47.56	319.78	-1.79	-49.35
O=C(NC1=NN(C2CC2(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248812	0	41	-1.0	-56.26	343.47	2.92	-53.34
O=C(NC1=NN(C2CC2(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248812	1	41	-1.0	-56.25	343.41	2.91	-53.34
CCCC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248813	0	48	-1.0	-54.60	382.39	4.68	-49.92
CCCC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248813	1	48	-1.0	-54.61	382.45	4.68	-49.93
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248814	0	53	0.0	-58.45	405.56	4.32	-54.13
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248814	1	53	0.0	-58.42	405.61	4.33	-54.09
CCCCC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020248815	0	50	-1.0	-44.96	392.40	3.49	-41.47
CCCCC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020248815	1	50	-1.0	-44.97	392.46	3.48	-41.49
CCC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248816	0	45	-1.0	-55.72	367.06	3.91	-51.81
CCC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248816	1	45	-1.0	-55.70	367.13	3.91	-51.79
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248817	0	42	-1.0	-48.19	349.36	3.33	-44.86
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248817	1	42	-1.0	-48.18	349.43	3.34	-44.84
O=C(NC1=CC(Cl)=C2OCCOC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248818	0	43	-1.0	-47.87	358.87	2.23	-45.64
O=C(NC1=CC(Cl)=C2OCCOC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248818	1	43	-1.0	-47.88	358.95	2.25	-45.63
O=C(NC1=CN(C2CC2(F)F)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248819	0	41	-1.0	-48.53	340.65	1.85	-46.68
O=C(NC1=CN(C2CC2(F)F)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248819	1	41	-1.0	-48.49	340.59	1.85	-46.64
COCC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248820	0	44	-1.0	-47.54	355.69	2.41	-45.13
COCC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248820	1	44	-1.0	-47.53	355.75	2.42	-45.11
CC(C)NC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248821	0	50	-1.0	-58.23	401.71	0.49	-57.74
CC(C)NC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248821	1	50	-1.0	-58.20	401.65	0.50	-57.70
O=C(NC1=CC2=CC=NC=C2C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248822	0	42	-1.0	-48.12	338.58	3.06	-45.06
O=C(NC1=CC2=CC=NC=C2C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248822	1	42	-1.0	-48.09	338.64	3.07	-45.02
O=C(NC1=C2C=COC2=CC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248823	0	39	-1.0	-51.00	321.75	2.51	-48.49
O=C(NC1=C2C=COC2=CC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248823	1	39	-1.0	-50.99	321.69	2.49	-48.50
O=C(NC1=CC=C2OCCNC(=O)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248824	0	46	-1.0	-54.36	365.88	-0.23	-54.59
O=C(NC1=CC=C2OCCNC(=O)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248824	1	46	-1.0	-54.41	365.94	-0.22	-54.63
O=C(NC1=CN=CC2=C1CCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248825	0	43	-1.0	-47.58	337.08	2.68	-44.90
O=C(NC1=CN=CC2=C1CCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248825	1	43	-1.0	-47.54	337.15	2.67	-44.87
O=C(NC1=CC=CC(C2CC2(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248826	0	44	-1.0	-50.16	358.05	4.77	-45.39
O=C(NC1=CC=CC(C2CC2(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248826	1	44	-1.0	-50.15	358.11	4.77	-45.38
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2N=C1C	REAL300020248827	0	47	-1.0	-50.32	372.38	2.12	-48.20
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2N=C1C	REAL300020248827	1	47	-1.0	-50.29	372.44	2.13	-48.16
CC(C)N1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=N1	REAL300020248828	0	42	-1.0	-50.42	334.96	1.30	-49.12
CC(C)N1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=N1	REAL300020248828	1	42	-1.0	-50.44	334.90	1.28	-49.16
CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=N1	REAL300020248829	0	39	-1.0	-50.92	316.11	0.77	-50.15
CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=N1	REAL300020248829	1	39	-1.0	-50.90	316.05	0.75	-50.15
O=C(NC1=CC(Cl)=C2OCOC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248830	0	40	-1.0	-45.74	340.30	1.74	-44.00
O=C(NC1=CC(Cl)=C2OCOC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248830	1	40	-1.0	-45.72	340.37	1.75	-43.97
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN=C1C	REAL300020248831	0	45	-1.0	-45.70	363.87	2.02	-43.68
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN=C1C	REAL300020248831	1	45	-1.0	-45.70	363.93	2.03	-43.67
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(OCC)=C1	REAL300020248832	0	51	-1.0	-49.85	400.15	3.09	-46.76
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(OCC)=C1	REAL300020248832	1	51	-1.0	-49.85	400.22	3.11	-46.74
O=C(NC1=CC=C2OCC(=O)NC2=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248833	0	42	-1.0	-51.21	345.53	0.30	-50.91
O=C(NC1=CC=C2OCC(=O)NC2=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248833	1	42	-1.0	-51.20	345.46	0.28	-50.92
O=C(NC1=CC=NN1C1CCCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248834	0	47	-1.0	-45.48	363.86	4.12	-41.36
O=C(NC1=CC=NN1C1CCCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248834	1	47	-1.0	-45.47	363.80	4.11	-41.36
COC(=O)C1=CC(F)=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248835	0	46	-1.0	-51.64	375.27	4.12	-47.52
COC(=O)C1=CC(F)=C(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248835	1	46	-1.0	-51.68	375.34	4.13	-47.55
O=C(NC1=CC=C(OCC2CC2)C=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248836	0	48	-1.0	-48.05	387.08	4.44	-43.61
O=C(NC1=CC=C(OCC2CC2)C=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248836	1	48	-1.0	-48.05	387.16	4.46	-43.59
COC(=O)C1=CC(F)=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248837	0	46	-1.0	-51.90	373.68	4.35	-47.55
COC(=O)C1=CC(F)=CC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248837	1	46	-1.0	-51.90	373.75	4.38	-47.52
CCCC1=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NO1	REAL300020248838	0	45	-1.0	-49.15	360.57	4.08	-45.07
CCCC1=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NO1	REAL300020248838	1	45	-1.0	-49.19	360.62	4.10	-45.09
COCC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1Cl	REAL300020248839	0	44	-1.0	-45.94	365.69	2.93	-43.01
COCC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1Cl	REAL300020248839	1	44	-1.0	-45.90	365.75	2.94	-42.96
C=CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248840	0	41	-1.0	-48.63	334.96	1.66	-46.97
C=CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248840	1	41	-1.0	-48.63	334.90	1.66	-46.97
CC1=NN(C2=CC=CC(F)=C2)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248841	0	47	-1.0	-51.78	382.24	5.37	-46.41
CC1=NN(C2=CC=CC(F)=C2)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248841	1	47	-1.0	-51.76	382.31	5.39	-46.37
CS(=O)(=O)CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248842	0	46	-1.0	-56.52	385.35	-1.26	-57.78
CS(=O)(=O)CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248842	1	46	-1.0	-56.50	385.28	-1.26	-57.76
CC1=CC=C(C2=CN=C([N-]C(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)S2)C=C1	REAL300020248843	0	45	-2.0	-111.81	381.68	4.31	-107.50
CC1=CC=C(C2=CN=C([N-]C(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)S2)C=C1	REAL300020248843	1	45	-2.0	-111.82	381.62	4.30	-107.52
CC1=CC=C(C2=CN=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)S2)C=C1	REAL300020248843	1	46	-1.0	-48.52	384.29	5.42	-43.10
CC1=CC=C(C2=CN=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)S2)C=C1	REAL300020248843	1	46	-1.0	-48.52	384.23	5.41	-43.11
COC(=O)C1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020248844	0	46	-1.0	-48.20	374.63	4.06	-44.14
COC(=O)C1=CC(C)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020248844	1	46	-1.0	-48.21	374.70	4.08	-44.13
O=C(NC1=CC=C2CCOCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248845	0	45	-1.0	-47.58	351.20	2.64	-44.94
O=C(NC1=CC=C2CCOCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248845	1	45	-1.0	-47.53	351.26	2.66	-44.87
O=C(NC1=NOC2=C1CCCCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248846	0	46	-1.0	-49.37	352.96	4.19	-45.18
O=C(NC1=NOC2=C1CCCCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248846	1	46	-1.0	-49.40	353.02	4.21	-45.19
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248847	0	47	-1.0	-50.19	388.47	4.18	-46.01
O=C(NC1=CN(CC2=CC=C(F)C=C2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248847	1	47	-1.0	-50.19	388.41	4.18	-46.01
O=C(NC1=NN(C2CCNC2=O)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248848	0	45	-1.0	-54.70	361.37	-0.32	-55.02
O=C(NC1=NN(C2CCNC2=O)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248848	1	45	-1.0	-54.69	361.32	-0.34	-55.03
COC(=O)C1=CSC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248849	0	43	-1.0	-57.33	360.76	3.05	-54.28
COC(=O)C1=CSC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248849	1	43	-1.0	-57.32	360.83	3.06	-54.26
O=C(NC1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248850	0	42	-1.0	-50.19	353.26	1.11	-49.08
O=C(NC1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248850	1	42	-1.0	-50.21	353.33	1.13	-49.08
CCN1N=C(C(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248851	0	52	-1.0	-46.01	402.69	4.48	-41.53
CCN1N=C(C(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248851	1	52	-1.0	-45.98	402.63	4.46	-41.52
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248852	0	48	-1.0	-53.00	381.71	2.06	-50.94
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248852	1	48	-1.0	-53.04	381.78	2.08	-50.96
CCC1=CC=C(C(=O)OC)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248853	0	49	-1.0	-51.16	391.41	4.75	-46.41
CCC1=CC=C(C(=O)OC)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248853	1	49	-1.0	-51.16	391.47	4.77	-46.39
O=C(NC1=CN(C2CCNC2=O)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248854	0	45	-1.0	-53.98	362.18	-1.41	-55.39
O=C(NC1=CN(C2CCNC2=O)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248854	1	45	-1.0	-54.01	362.13	-1.40	-55.41
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248855	0	45	-1.0	-49.18	361.73	4.02	-45.16
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248855	1	45	-1.0	-49.17	361.67	4.00	-45.17
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248856	0	46	-1.0	-50.99	366.76	4.23	-46.76
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248856	1	46	-1.0	-50.99	366.70	4.21	-46.78
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN=C1OC(F)F	REAL300020248857	0	43	-1.0	-49.00	355.80	0.72	-48.28
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN=C1OC(F)F	REAL300020248857	1	43	-1.0	-48.97	355.74	0.71	-48.26
O=C(NC1=CN=C(Cl)C(F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248858	0	36	-1.0	-42.86	315.14	1.29	-41.57
O=C(NC1=CN=C(Cl)C(F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248858	1	36	-1.0	-42.86	315.07	1.27	-41.59
O=C(NC1=CC=CC=C1C1CC1(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248859	0	44	-1.0	-50.61	357.15	4.94	-45.67
O=C(NC1=CC=CC=C1C1CC1(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248859	1	44	-1.0	-50.59	357.23	4.95	-45.64
O=C(NC1=CC(C(F)F)=C(Cl)C=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248860	0	39	-1.0	-47.11	342.83	3.54	-43.57
O=C(NC1=CC(C(F)F)=C(Cl)C=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248860	1	39	-1.0	-47.12	342.90	3.56	-43.56
O=C([N-]C1=NC=C(C2CCCCO2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248861	0	46	-2.0	-112.68	379.13	1.87	-110.81
O=C([N-]C1=NC=C(C2CCCCO2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248861	1	46	-2.0	-112.64	379.07	1.87	-110.77
O=C(NC1=NC=C(C2CCCCO2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248861	1	47	-1.0	-48.95	381.74	2.99	-45.96
O=C(NC1=NC=C(C2CCCCO2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248861	1	47	-1.0	-48.92	381.69	2.98	-45.94
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248862	0	39	-2.0	-114.21	327.50	2.06	-112.15
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248862	1	39	-2.0	-114.20	327.55	2.07	-112.13
O=C(NC1=NC2=C(CCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248862	1	40	-1.0	-49.92	330.71	3.01	-46.91
O=C(NC1=NC2=C(CCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248862	1	40	-1.0	-49.91	330.77	3.03	-46.88
CCC1=CC(C#N)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248863	0	44	-1.0	-45.84	357.65	4.59	-41.25
CCC1=CC(C#N)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248863	1	44	-1.0	-45.82	357.72	4.61	-41.21
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=NSN=C2C=C1	REAL300020248864	0	41	-1.0	-51.27	339.56	2.29	-48.98
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=NSN=C2C=C1	REAL300020248864	1	41	-1.0	-51.29	339.62	2.29	-49.00
C#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248865	0	38	-1.0	-53.02	322.05	3.29	-49.73
C#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248865	1	38	-1.0	-53.02	322.12	3.30	-49.72
C#CC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248866	0	38	-1.0	-47.01	320.08	2.03	-44.98
C#CC1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248866	1	38	-1.0	-46.99	320.13	2.04	-44.95
O=C(NC1=CN(C2CCOC2)N=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248867	0	44	-1.0	-49.26	348.24	-0.01	-49.27
O=C(NC1=CN(C2CCOC2)N=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248867	1	44	-1.0	-49.28	348.18	-0.04	-49.32
O=C(NC1=CC=C(C2CC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248868	0	44	-1.0	-46.52	347.16	4.71	-41.81
O=C(NC1=CC=C(C2CC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248868	1	44	-1.0	-46.48	347.23	4.72	-41.76
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C(Cl)S1	REAL300020248869	0	40	-1.0	-51.06	354.18	3.01	-48.05
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C(Cl)S1	REAL300020248869	1	40	-1.0	-51.08	354.24	3.02	-48.06
CC(C)C(NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020248870	0	42	-1.0	-45.43	334.79	2.28	-43.15
CC(C)C(NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020248870	1	42	-1.0	-45.46	334.86	2.29	-43.17
CCC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248871	0	44	-2.0	-109.74	359.01	2.13	-107.61
CCC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248871	1	44	-2.0	-109.66	359.07	2.15	-107.51
CCC(C)C1=CSC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248871	1	45	-1.0	-47.76	362.28	3.14	-44.62
CCC(C)C1=CSC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248871	1	45	-1.0	-47.75	362.33	3.15	-44.60
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C	REAL300020248872	0	44	-1.0	-46.68	347.04	2.60	-44.08
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C	REAL300020248872	1	44	-1.0	-46.67	347.10	2.62	-44.05
O=C(NC1=C(Cl)C=CC2=NC=CC=C21)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248873	0	42	-1.0	-48.09	349.61	3.42	-44.67
O=C(NC1=C(Cl)C=CC2=NC=CC=C21)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248873	1	42	-1.0	-48.06	349.54	3.39	-44.67
COC(=O)C1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2N1	REAL300020248874	0	47	-1.0	-49.57	386.45	3.08	-46.49
COC(=O)C1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2N1	REAL300020248874	1	47	-1.0	-49.60	386.53	3.09	-46.51
O=C(NC1=CC2=NSN=C2C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248875	0	38	-1.0	-47.08	322.69	0.90	-46.18
O=C(NC1=CC2=NSN=C2C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248875	1	38	-1.0	-47.14	322.62	0.88	-46.26
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248876	0	46	-1.0	-51.45	376.04	3.77	-47.68
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248876	1	46	-1.0	-51.43	375.99	3.75	-47.68
C#CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248877	0	39	-1.0	-50.31	327.92	1.61	-48.70
C#CCN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248877	1	39	-1.0	-50.29	327.86	1.61	-48.68
COC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248878	0	41	-1.0	-48.40	336.05	2.02	-46.38
COC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248878	1	41	-1.0	-48.41	336.12	2.04	-46.37
CC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C	REAL300020248879	0	42	-1.0	-50.26	333.40	3.42	-46.84
CC1=CN=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C	REAL300020248879	1	42	-1.0	-50.27	333.47	3.43	-46.84
O=C(NC1=CC=C(C2=CNN=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248880	0	44	-1.0	-50.71	355.53	2.51	-48.20
O=C(NC1=CC=C(C2=CNN=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248880	1	44	-1.0	-50.70	355.60	2.52	-48.18
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CN=C1S(C)(=O)=O	REAL300020248881	0	45	-1.0	-53.54	367.88	-1.06	-54.60
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CN=C1S(C)(=O)=O	REAL300020248881	1	45	-1.0	-53.53	367.79	-1.06	-54.59
O=C(NC1=CN(C2CCCCC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248882	0	50	-1.0	-47.51	382.45	3.49	-44.02
O=C(NC1=CN(C2CCCCC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248882	1	50	-1.0	-47.54	382.40	3.48	-44.06
C[N@@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1	REAL300020248883	0	50	0.0	-72.92	379.68	4.88	-68.04
C[N@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C1	REAL300020248883	1	50	0.0	-72.28	379.14	4.95	-67.33
C[N@@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1	REAL300020248883	1	50	0.0	-72.96	379.74	4.88	-68.08
C[N@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C1	REAL300020248883	1	50	0.0	-72.30	379.19	4.96	-67.34
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C(C)S1	REAL300020248884	0	40	-1.0	-46.42	329.33	3.09	-43.33
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C(C)S1	REAL300020248884	1	40	-1.0	-46.35	329.40	3.10	-43.25
CC1=NN(C(F)F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248885	0	40	-1.0	-47.41	333.68	0.95	-46.46
CC1=NN(C(F)F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248885	1	40	-1.0	-47.41	333.75	0.97	-46.44
O=C(NC1=C(Cl)C=CC2=C1OCO2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248886	0	40	-1.0	-50.41	337.69	2.63	-47.78
O=C(NC1=C(Cl)C=CC2=C1OCO2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248886	1	40	-1.0	-50.40	337.75	2.66	-47.74
CC(C)(C)C1=CN=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248887	0	48	-1.0	-47.32	384.53	3.52	-43.80
CC(C)(C)C1=CN=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248887	1	48	-1.0	-47.30	384.45	3.51	-43.79
CC(C)(C)C1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248888	0	48	-1.0	-45.98	368.91	3.09	-42.89
CC(C)(C)C1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248888	1	48	-1.0	-45.95	368.86	3.09	-42.86
O=C(NC1=CN=C(C2CCOCC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248889	0	49	-1.0	-45.58	382.85	1.26	-44.32
O=C(NC1=CN=C(C2CCOCC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248889	1	49	-1.0	-45.62	382.91	1.27	-44.35
O=C(NC1=NN(CC2=CC=C(F)C=C2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248890	0	47	-1.0	-54.85	388.28	5.12	-49.73
O=C(NC1=NN(CC2=CC=C(F)C=C2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248890	1	47	-1.0	-54.82	388.22	5.10	-49.72
CN1N=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C1=CC=C(F)C=C1	REAL300020248891	0	47	-1.0	-51.42	379.39	4.48	-46.94
CN1N=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C1=CC=C(F)C=C1	REAL300020248891	1	47	-1.0	-51.35	379.32	4.47	-46.88
O=C(NC1=CC(F)=CC2=C1OCCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248892	0	45	-1.0	-49.47	356.19	3.41	-46.06
O=C(NC1=CC(F)=CC2=C1OCCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248892	1	45	-1.0	-49.49	356.26	3.43	-46.06
CP(C)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248893	0	46	-1.0	-54.13	377.56	2.14	-51.99
CP(C)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248893	1	46	-1.0	-54.19	377.62	2.15	-52.04
CC(C)COC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248894	0	50	-1.0	-48.47	399.51	4.47	-44.00
CC(C)COC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248894	1	50	-1.0	-48.53	399.58	4.49	-44.04
CN1CCCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020248895	0	49	-1.0	-48.08	372.23	3.12	-44.96
CN1CCCC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020248895	1	49	-1.0	-48.11	372.30	3.13	-44.98
CN1C=C(OC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)C=N1	REAL300020248896	0	48	-1.0	-50.13	391.30	3.28	-46.85
CN1C=C(OC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)C=N1	REAL300020248896	1	48	-1.0	-50.10	391.23	3.26	-46.84
CN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C21	REAL300020248897	0	43	-1.0	-49.23	347.64	2.47	-46.76
CN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C21	REAL300020248897	1	43	-1.0	-49.27	347.57	2.46	-46.81
CC1=NN(CC(F)(F)F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248898	0	43	-1.0	-49.11	360.49	2.17	-46.94
CC1=NN(CC(F)(F)F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248898	1	43	-1.0	-49.15	360.56	2.19	-46.96
CC1=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020248899	0	42	-1.0	-46.82	349.40	3.65	-43.17
CC1=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020248899	1	42	-1.0	-46.83	349.47	3.66	-43.17
CC1=CC=CC=C1CN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248900	0	50	-1.0	-53.22	396.43	5.67	-47.55
CC1=CC=CC=C1CN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248900	1	50	-1.0	-53.21	396.38	5.66	-47.55
CCC1=NOC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248901	0	39	-1.0	-44.02	316.44	1.25	-42.77
CCC1=NOC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248901	1	39	-1.0	-44.01	316.49	1.26	-42.75
O=C(NC1=CC=C2SCCCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248902	0	45	-1.0	-46.70	360.26	4.76	-41.94
O=C(NC1=CC=C2SCCCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248902	1	45	-1.0	-46.72	360.32	4.78	-41.94
O=C(NC1=NN2CCOCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248903	0	42	-1.0	-52.10	333.09	0.46	-51.64
O=C(NC1=NN2CCOCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248903	1	42	-1.0	-52.07	333.14	0.47	-51.60
O=C(NC1=CC=C2C=NSC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248904	0	39	-1.0	-48.52	329.95	2.68	-45.84
O=C(NC1=CC=C2C=NSC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248904	1	39	-1.0	-48.55	329.88	2.67	-45.88
CNC(=O)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248905	0	47	-1.0	-55.09	378.59	1.51	-53.58
CNC(=O)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248905	1	47	-1.0	-55.05	378.64	1.53	-53.52
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020248906	0	50	-1.0	-48.62	391.91	5.19	-43.43
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020248906	1	50	-1.0	-48.63	391.97	5.20	-43.43
CCOC1=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300020248907	0	50	-1.0	-47.75	394.89	5.05	-42.70
CCOC1=CC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300020248907	1	50	-1.0	-47.77	394.95	5.07	-42.70
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248908	0	38	-1.0	-48.05	321.05	1.87	-46.18
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248908	1	38	-1.0	-48.05	321.12	1.88	-46.17
CC(C)C1=NC=NC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248909	0	44	-1.0	-44.45	347.83	2.72	-41.73
CC(C)C1=NC=NC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248909	1	44	-1.0	-44.40	347.90	2.75	-41.65
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NC(OC)=N1	REAL300020248910	0	43	-1.0	-48.79	353.99	-2.35	-51.14
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NC(OC)=N1	REAL300020248910	1	43	-1.0	-48.82	353.91	-2.37	-51.19
CC1=C(C)C2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2N1	REAL300020248911	0	47	-1.0	-50.23	372.09	3.79	-46.44
CC1=C(C)C2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2N1	REAL300020248911	1	47	-1.0	-50.27	372.16	3.80	-46.47
O=C(NC1=CC=C(C(F)(F)CF)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248912	0	43	-1.0	-46.88	357.21	4.23	-42.65
O=C(NC1=CC=C(C(F)(F)CF)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248912	1	43	-1.0	-46.89	357.26	4.25	-42.64
C#CC1=CC=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248913	0	38	-1.0	-50.51	321.98	3.39	-47.12
C#CC1=CC=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248913	1	38	-1.0	-50.53	322.05	3.39	-47.14
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)N=C1	REAL300020248914	0	38	-1.0	-49.62	321.83	3.37	-46.25
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)N=C1	REAL300020248914	1	38	-1.0	-49.65	321.91	3.38	-46.27
O=C(NC1=CC(C2CCOC2)=CC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248915	0	47	-1.0	-49.61	369.38	2.86	-46.75
O=C(NC1=CC(C2CCOC2)=CC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248915	1	47	-1.0	-49.64	369.45	2.87	-46.77
O=C(NC1=CC=CC=C1OC1COC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248916	0	46	-1.0	-51.00	365.91	1.42	-49.58
O=C(NC1=CC=CC=C1OC1COC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248916	1	46	-1.0	-50.99	365.98	1.43	-49.56
O=C(NC1=CN=CC2=C(Cl)C=CC=C12)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248917	0	42	-1.0	-45.78	351.25	3.45	-42.33
O=C(NC1=CN=CC2=C(Cl)C=CC=C12)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248917	1	42	-1.0	-45.70	351.18	3.42	-42.28
CC(C)C1=CON=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248918	0	42	-1.0	-50.31	337.93	3.10	-47.21
CC(C)C1=CON=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248918	1	42	-1.0	-50.30	337.87	3.07	-47.23
O=C(NC1=NOC=C1C1CCC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248919	0	43	-1.0	-50.35	343.40	3.77	-46.58
O=C(NC1=NOC=C1C1CCC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248919	1	43	-1.0	-50.39	343.34	3.74	-46.65
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248920	0	46	-1.0	-50.12	376.84	3.94	-46.18
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248920	1	46	-1.0	-50.10	376.89	3.96	-46.14
CC(C)(C#N)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248921	0	47	-1.0	-52.43	374.09	4.50	-47.93
CC(C)(C#N)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248921	1	47	-1.0	-52.42	374.15	4.52	-47.90
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248922	0	50	-1.0	-55.81	395.54	0.03	-55.78
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248922	1	50	-1.0	-55.81	395.59	0.05	-55.76
O=C(NC1=CC=C(OCC2=NNC=N2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248923	0	47	-1.0	-53.66	383.37	2.91	-50.75
O=C(NC1=CC=C(OCC2=NNC=N2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248923	1	47	-1.0	-53.69	383.43	2.93	-50.76
COC1=CC(C)=NC(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248924	0	46	-1.0	-50.18	360.70	2.75	-47.43
COC1=CC(C)=NC(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248924	1	46	-1.0	-50.20	360.79	2.75	-47.45
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248924	1	47	0.0	-59.34	363.62	3.14	-56.20
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248924	1	47	0.0	-59.31	363.69	3.13	-56.18
O=C(NC1=CC2=C(C=C1Cl)OCCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248925	0	45	-1.0	-48.16	366.66	3.70	-44.46
O=C(NC1=CC2=C(C=C1Cl)OCCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248925	1	45	-1.0	-48.20	366.73	3.70	-44.50
COC1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2C=C1	REAL300020248926	0	46	-1.0	-50.87	370.87	1.45	-49.42
COC1=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2C=C1	REAL300020248926	1	46	-1.0	-50.84	370.81	1.44	-49.40
O=C(NC1=CN=NN1C1CC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248927	0	40	-1.0	-44.54	325.75	1.39	-43.15
O=C(NC1=CN=NN1C1CC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248927	1	40	-1.0	-44.52	325.69	1.38	-43.14
CC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248928	0	45	-1.0	-53.93	356.67	3.82	-50.11
CC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248928	1	45	-1.0	-53.92	356.74	3.84	-50.08
CN1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2C1=O	REAL300020248929	0	45	-1.0	-63.87	360.35	2.47	-61.40
CN1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2C1=O	REAL300020248929	1	45	-1.0	-63.88	360.42	2.49	-61.39
CC(=O)NC1=C(F)C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1F	REAL300020248930	0	44	-1.0	-50.73	362.16	1.55	-49.18
CC(=O)NC1=C(F)C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1F	REAL300020248930	1	44	-1.0	-50.75	362.22	1.57	-49.18
COC(=O)C1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248931	0	43	-1.0	-51.89	367.79	3.71	-48.18
COC(=O)C1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248931	1	43	-1.0	-51.90	367.87	3.71	-48.19
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248932	0	48	-1.0	-51.57	378.77	-0.52	-52.09
O=C(NC1=CN(C2CCC(=O)NC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248932	1	48	-1.0	-51.59	378.71	-0.52	-52.11
CCOC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248933	0	44	-1.0	-51.04	355.43	-0.86	-51.90
CCOC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248933	1	44	-1.0	-50.98	355.37	-0.87	-51.85
CC1=CC2=CC=CN=C2C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248934	0	45	-1.0	-54.91	360.02	3.69	-51.22
CC1=CC2=CC=CN=C2C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248934	1	45	-1.0	-54.88	359.95	3.69	-51.19
CC1=CN=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248935	0	39	-1.0	-44.88	328.80	1.97	-42.91
CC1=CN=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248935	1	39	-1.0	-44.88	328.73	1.95	-42.93
CSC1=CC=NC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248936	0	40	-1.0	-50.49	335.25	3.22	-47.27
CSC1=CC=NC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248936	1	40	-1.0	-50.50	335.18	3.20	-47.30
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C(C)C=C1Cl	REAL300020248937	0	43	-1.0	-45.00	350.87	4.51	-40.49
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C(C)C=C1Cl	REAL300020248937	1	43	-1.0	-45.02	350.94	4.50	-40.52
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020248938	0	46	-1.0	-48.30	364.12	4.50	-43.80
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020248938	1	46	-1.0	-48.32	364.19	4.50	-43.82
O=C(NC1=CC2=CC=CC=C2N=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248939	0	42	-1.0	-49.79	353.62	3.51	-46.28
O=C(NC1=CC2=CC=CC=C2N=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248939	1	42	-1.0	-49.74	353.11	3.49	-46.25
CCCOC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248940	0	47	-1.0	-48.56	379.40	3.79	-44.77
CCCOC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248940	1	47	-1.0	-48.59	379.47	3.81	-44.78
CCCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248941	0	47	-1.0	-49.39	376.65	3.72	-45.67
CCCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248941	1	47	-1.0	-49.45	376.72	3.72	-45.73
O=C(NC1=CC2=CC=CC=C2C=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248942	0	43	-1.0	-48.93	359.00	5.34	-43.59
O=C(NC1=CC2=CC=CC=C2C=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248942	1	43	-1.0	-48.90	359.07	5.36	-43.54
CC1=NC(Cl)=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248943	0	39	-1.0	-42.30	343.87	2.39	-39.91
CC1=NC(Cl)=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248943	1	39	-1.0	-42.32	343.94	2.41	-39.91
O=C(NC1=CC=NN1C1CC1(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248944	0	41	-1.0	-46.74	341.82	3.10	-43.64
O=C(NC1=CC=NN1C1CC1(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248944	1	41	-1.0	-46.74	341.77	3.10	-43.64
O=C(NC1=CC(F)=CC(Cl)=C1F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248945	0	37	-1.0	-44.94	326.54	3.15	-41.79
O=C(NC1=CC(F)=CC(Cl)=C1F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248945	1	37	-1.0	-44.95	326.61	3.15	-41.80
COC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1	REAL300020248946	0	47	-1.0	-47.77	371.94	3.15	-44.62
COC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1	REAL300020248946	1	47	-1.0	-47.75	371.99	3.17	-44.58
CC1=NN(C(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248947	0	46	-1.0	-47.83	361.31	2.21	-45.62
CC1=NN(C(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248947	1	46	-1.0	-47.80	361.38	2.23	-45.57
O=C(NC1=CC(F)=C(F)C(C(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248948	0	40	-1.0	-44.27	343.44	3.62	-40.65
O=C(NC1=CC(F)=C(F)C(C(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248948	1	40	-1.0	-44.25	343.50	3.62	-40.63
O=C(NC1=CC=CC2=C1CCOC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248949	0	45	-1.0	-48.20	348.22	2.81	-45.39
O=C(NC1=CC=CC2=C1CCOC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248949	1	45	-1.0	-48.19	348.29	2.83	-45.36
O=C(NC1=CC=CN=C1OC(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248950	0	40	-1.0	-50.51	335.60	0.02	-50.49
O=C(NC1=CC=CN=C1OC(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248950	1	40	-1.0	-50.50	335.54	0.01	-50.49
CN1CCCC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C21	REAL300020248951	0	49	-1.0	-48.48	368.68	3.55	-44.93
CN1CCCC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C21	REAL300020248951	1	49	-1.0	-48.46	368.75	3.56	-44.90
CC1=NN(C2=NC=CC=C2NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=C1	REAL300020248952	0	49	-1.0	-56.35	387.22	5.24	-51.11
CC1=NN(C2=NC=CC=C2NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=C1	REAL300020248952	1	49	-1.0	-56.37	387.15	5.24	-51.13
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020248953	0	44	-1.0	-44.96	366.13	2.91	-42.05
COC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020248953	1	44	-1.0	-44.94	366.19	2.92	-42.02
O=C(NC1=CC(F)=CN=C1Cl)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248954	0	36	-1.0	-44.92	314.50	1.37	-43.55
O=C(NC1=CC(F)=CN=C1Cl)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248954	1	36	-1.0	-44.85	314.43	1.35	-43.50
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C2CCC2)=N1	REAL300020248955	0	47	-1.0	-48.04	368.75	2.94	-45.10
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C2CCC2)=N1	REAL300020248955	1	47	-1.0	-48.05	368.81	2.95	-45.10
O=C(NC1=CN=C(N2CCOCC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248956	0	48	-1.0	-46.14	376.47	0.84	-45.30
O=C(NC1=CN=C(N2CCOCC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248956	1	48	-1.0	-46.17	376.40	0.83	-45.34
N#CC1=CN(CC(F)F)N=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248957	0	41	-1.0	-59.71	357.50	3.05	-56.66
N#CC1=CN(CC(F)F)N=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248957	1	41	-1.0	-59.69	357.45	3.04	-56.65
O=C(NC1=CC=C(C2CC2(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248958	0	44	-1.0	-48.50	358.98	4.78	-43.72
O=C(NC1=CC=C(C2CC2(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248958	1	44	-1.0	-48.50	359.04	4.80	-43.70
CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020248959	0	41	-1.0	-45.32	327.92	1.31	-44.01
CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020248959	1	41	-1.0	-45.30	327.98	1.31	-43.99
O=C(NC1=CC=CC(N2CCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248960	0	46	-1.0	-48.96	355.87	1.65	-47.31
O=C(NC1=CC=CC(N2CCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248960	1	46	-1.0	-48.95	355.94	1.66	-47.29
CN1C=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C21	REAL300020248961	0	44	-1.0	-50.84	352.31	4.29	-46.55
CN1C=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C21	REAL300020248961	1	44	-1.0	-50.86	352.38	4.31	-46.55
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248962	0	45	-1.0	-49.23	371.88	2.17	-47.06
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248962	1	45	-1.0	-49.23	371.82	2.16	-47.07
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=NN1CC1=CC=CC=C1	REAL300020248963	0	50	-1.0	-53.63	401.19	5.57	-48.06
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=NN1CC1=CC=CC=C1	REAL300020248963	1	50	-1.0	-53.68	401.24	5.57	-48.11
COC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020248964	0	41	-1.0	-47.21	349.49	2.46	-44.75
COC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020248964	1	41	-1.0	-47.21	349.56	2.46	-44.75
CN1C=NN=C1C1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248965	0	45	-1.0	-51.04	363.15	3.44	-47.60
CN1C=NN=C1C1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248965	1	45	-1.0	-51.09	363.22	3.45	-47.64
NS(=O)(=O)C1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248966	0	41	-1.0	-50.53	346.79	-4.27	-54.80
NS(=O)(=O)C1=CN=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248966	1	41	-1.0	-50.51	346.73	-4.30	-54.81
CCCSC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248967	0	47	-1.0	-47.97	380.66	5.21	-42.76
CCCSC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248967	1	47	-1.0	-48.01	380.72	5.23	-42.78
O=C(NC1=CC=CC(C(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248968	0	40	-1.0	-50.27	331.64	3.48	-46.79
O=C(NC1=CC=CC(C(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248968	1	40	-1.0	-50.24	331.70	3.50	-46.74
COC1=C(F)C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1F	REAL300020248969	0	41	-1.0	-47.36	342.75	2.18	-45.18
COC1=C(F)C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1F	REAL300020248969	1	41	-1.0	-47.35	342.81	2.17	-45.18
CN1C=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CC=C2C1=O	REAL300020248970	0	45	-1.0	-53.36	363.74	3.27	-50.09
CN1C=NC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CC=C2C1=O	REAL300020248970	1	45	-1.0	-53.36	363.68	3.26	-50.10
CC1=CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2C=N1	REAL300020248971	0	45	-1.0	-50.80	358.22	3.73	-47.07
CC1=CC2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2C=N1	REAL300020248971	1	45	-1.0	-50.83	358.29	3.74	-47.09
O=C(NC1=CNN=C1C1=CN=CC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248972	0	42	-1.0	-50.83	345.91	-0.67	-51.50
O=C(NC1=CNN=C1C1=CN=CC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248972	1	42	-1.0	-50.84	345.96	-0.67	-51.51
COC1=CC(OC(C)C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248973	0	51	-1.0	-49.82	396.72	2.85	-46.97
COC1=CC(OC(C)C)=CC=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248973	1	51	-1.0	-49.84	396.77	2.86	-46.98
CC(F)(F)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248974	0	42	-1.0	-47.97	348.85	3.98	-43.99
CC(F)(F)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248974	1	42	-1.0	-47.96	348.78	3.97	-43.99
O=C(NC1=CC=CC=C1C1CC1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248975	0	44	-1.0	-48.05	344.82	4.78	-43.27
O=C(NC1=CC=CC=C1C1CC1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248975	1	44	-1.0	-48.08	344.88	4.79	-43.29
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C(Cl)C=C1C1CC1	REAL300020248976	0	47	-1.0	-47.98	379.43	5.75	-42.23
CC1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C(Cl)C=C1C1CC1	REAL300020248976	1	47	-1.0	-48.03	379.50	5.76	-42.27
CC1=CC=C(C(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248977	0	49	-1.0	-46.92	375.62	5.33	-41.59
CC1=CC=C(C(C)C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248977	1	49	-1.0	-46.90	375.68	5.35	-41.55
O=C(NC1=CN=C(C2CCCC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248978	0	48	-1.0	-44.77	373.42	3.15	-41.62
O=C(NC1=CN=C(C2CCCC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248978	1	48	-1.0	-44.80	373.48	3.16	-41.64
O=C(NC1=CC=CC=C1C=CC(F)(F)F)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248979	0	44	-1.0	-49.84	365.81	4.98	-44.86
O=C(NC1=CC=CC=C1C=CC(F)(F)F)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248979	1	44	-1.0	-49.77	365.88	5.01	-44.76
O=C(NC1=NOC(C2CCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248980	0	43	-1.0	-48.21	341.18	3.72	-44.49
O=C(NC1=NOC(C2CCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248980	1	43	-1.0	-48.22	341.24	3.73	-44.49
NC(=O)C1=CC(Cl)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248981	0	41	-1.0	-51.44	350.09	-0.14	-51.58
NC(=O)C1=CC(Cl)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248981	1	41	-1.0	-51.50	350.18	-0.14	-51.64
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)=CO1	REAL300020248982	0	46	-1.0	-50.72	374.85	1.59	-49.13
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)=CO1	REAL300020248982	1	46	-1.0	-50.67	374.78	1.58	-49.09
O=C(NC1=CN=C2NC(=O)COC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248983	0	42	-1.0	-46.93	343.20	-1.08	-48.01
O=C(NC1=CN=C2NC(=O)COC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248983	1	42	-1.0	-46.93	343.15	-1.10	-48.03
CC1=CC2=NC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300020248984	0	45	-1.0	-47.72	360.12	3.60	-44.12
CC1=CC2=NC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300020248984	1	45	-1.0	-47.71	360.18	3.62	-44.09
CC1=CN2C=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC2=N1	REAL300020248985	0	43	-1.0	-47.91	349.69	3.70	-44.21
CC1=CN2C=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC2=N1	REAL300020248985	1	43	-1.0	-47.94	349.76	3.71	-44.23
CC(C)OC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248986	0	47	-1.0	-46.12	374.77	3.40	-42.72
CC(C)OC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248986	1	47	-1.0	-46.14	374.83	3.41	-42.73
O=C(NC1=CC=CC(C2CC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248987	0	44	-1.0	-47.31	347.16	4.72	-42.59
O=C(NC1=CC=CC(C2CC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248987	1	44	-1.0	-47.33	347.23	4.73	-42.60
O=C(NC1=CC=C2CNS(=O)(=O)C2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248988	0	43	-1.0	-56.04	356.82	-2.05	-58.09
O=C(NC1=CC=C2CNS(=O)(=O)C2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248988	1	43	-1.0	-56.08	356.89	-2.04	-58.12
N#CC1=CN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)N=C1	REAL300020248989	0	45	-1.0	-49.86	378.01	4.21	-45.65
N#CC1=CN(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)N=C1	REAL300020248989	1	45	-1.0	-49.84	377.94	4.20	-45.64
COCC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=N1	REAL300020248990	0	42	-1.0	-46.33	342.62	-0.48	-46.81
COCC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=N1	REAL300020248990	1	42	-1.0	-46.36	342.68	-0.47	-46.83
CC1=CN(C(F)F)N=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248991	0	40	-1.0	-48.48	337.34	2.29	-46.19
CC1=CN(C(F)F)N=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248991	1	40	-1.0	-48.52	337.29	2.27	-46.25
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248992	0	43	-1.0	-49.28	358.26	1.86	-47.42
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248992	1	43	-1.0	-49.25	358.21	1.83	-47.42
CCOC1=CC(OCC)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248993	0	51	-1.0	-49.65	401.58	3.02	-46.63
CCOC1=CC(OCC)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248993	1	51	-1.0	-49.69	401.66	3.02	-46.67
O=C(NC1=CC=CC(C=CC(F)(F)F)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248994	0	44	-1.0	-47.01	368.28	4.93	-42.08
O=C(NC1=CC=CC(C=CC(F)(F)F)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248994	1	44	-1.0	-47.04	368.33	4.94	-42.10
O=C(NC1=CN=C(C2CCC2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248995	0	45	-1.0	-45.03	356.44	2.73	-42.30
O=C(NC1=CN=C(C2CCC2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248995	1	45	-1.0	-45.01	356.49	2.72	-42.29
CC(C)C1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248996	0	46	-1.0	-48.11	373.26	5.05	-43.06
CC(C)C1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248996	1	46	-1.0	-48.11	373.33	5.06	-43.05
O=C(NC1=CN=C2OCCC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248997	0	41	-1.0	-48.57	329.23	-0.66	-49.23
O=C(NC1=CN=C2OCCC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248997	1	41	-1.0	-48.58	329.16	-0.68	-49.26
O=C(NC1=CC=C(C(F)F)C=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248998	0	39	-1.0	-49.60	328.86	3.10	-46.50
O=C(NC1=CC=C(C(F)F)C=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248998	1	39	-1.0	-49.62	328.79	3.09	-46.53
CCC1=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=C2)=NO1	REAL300020248999	0	48	-1.0	-52.28	391.32	2.66	-49.62
CCC1=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=C2)=NO1	REAL300020248999	1	48	-1.0	-52.28	391.26	2.64	-49.64
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1C(=O)NC1CC1	REAL300020249000	0	51	-1.0	-47.71	402.14	3.33	-44.38
CC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1C(=O)NC1CC1	REAL300020249000	1	51	-1.0	-47.68	402.21	3.34	-44.34
COC1=CC=C(Cl)C(F)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249001	0	41	-1.0	-51.52	346.65	2.48	-49.04
COC1=CC=C(Cl)C(F)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249001	1	41	-1.0	-51.53	346.71	2.47	-49.06
O=C(NC1=CC=C(C=CC(F)(F)F)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249002	0	44	-1.0	-46.55	368.26	4.93	-41.62
O=C(NC1=CC=C(C=CC(F)(F)F)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249002	1	44	-1.0	-46.54	368.31	4.94	-41.60
CC1=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=CC=C1S(C)(=O)=O	REAL300020249003	0	46	-1.0	-52.88	366.27	0.90	-51.98
CC1=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=CC=C1S(C)(=O)=O	REAL300020249003	1	46	-1.0	-52.90	366.35	0.89	-52.01
O=C(NC1=NN(C2CC2)C=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249004	0	40	-1.0	-54.27	327.77	5.03	-49.24
O=C(NC1=NN(C2CC2)C=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249004	1	40	-1.0	-54.26	327.71	5.02	-49.24
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300020249005	0	45	-1.0	-48.79	360.49	3.54	-45.25
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300020249005	1	45	-1.0	-48.78	360.54	3.57	-45.21
CCCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020249006	0	43	-1.0	-52.20	343.47	2.81	-49.39
CCCN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020249006	1	43	-1.0	-52.16	343.41	2.79	-49.37
CCSC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020249007	0	44	-1.0	-45.68	374.14	4.85	-40.83
CCSC1=CC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020249007	1	44	-1.0	-45.67	374.20	4.87	-40.80
CC(C)C1=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=CC=C1F	REAL300020249008	0	46	-1.0	-44.21	362.72	4.50	-39.71
CC(C)C1=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=CC=C1F	REAL300020249008	1	46	-1.0	-44.25	362.78	4.52	-39.73
CC(C)OC1=CC(Cl)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020249009	0	47	-1.0	-46.19	385.09	3.85	-42.34
CC(C)OC1=CC(Cl)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020249009	1	47	-1.0	-46.19	385.16	3.86	-42.33
CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020249010	0	39	-1.0	-44.32	328.01	1.85	-42.47
CC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020249010	1	39	-1.0	-44.36	328.07	1.86	-42.50
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C2CCCC2)=N1	REAL300020249011	0	50	-1.0	-48.05	385.72	3.47	-44.58
CN1C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C2CCCC2)=N1	REAL300020249011	1	50	-1.0	-48.05	385.77	3.47	-44.58
O=C([N-]C1=NC2=C(S1)C(=O)NCCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249012	0	43	-2.0	-111.70	357.67	-1.34	-113.04
O=C([N-]C1=NC2=C(S1)C(=O)NCCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249012	1	43	-2.0	-111.69	357.73	-1.33	-113.02
O=C(NC1=NC2=C(S1)C(=O)NCCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249012	1	44	-1.0	-50.31	360.26	-0.23	-50.54
O=C(NC1=NC2=C(S1)C(=O)NCCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249012	1	44	-1.0	-50.29	360.32	-0.22	-50.51
O=C(NC1=CC=C2OC(C(F)F)=NC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249013	0	42	-1.0	-50.55	355.27	0.45	-50.10
O=C(NC1=CC=C2OC(C(F)F)=NC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249013	1	42	-1.0	-50.63	355.34	0.47	-50.16
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020249014	0	43	-1.0	-50.13	352.61	3.29	-46.84
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020249014	1	43	-1.0	-50.09	352.66	3.30	-46.79
COC(=O)C1(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300020249015	0	50	-1.0	-49.49	396.70	5.16	-44.33
COC(=O)C1(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300020249015	1	50	-1.0	-49.46	396.77	5.17	-44.29
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249016	0	45	-1.0	-53.21	371.96	1.34	-51.87
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249016	1	45	-1.0	-53.21	372.02	1.35	-51.86
COC(=O)C1=C(C)C=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C=C1F	REAL300020249017	0	46	-1.0	-48.04	380.24	3.89	-44.15
COC(=O)C1=C(C)C=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C=C1F	REAL300020249017	1	46	-1.0	-48.05	380.31	3.91	-44.14
COCC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)C(C)=N1	REAL300020249018	0	45	-1.0	-46.52	361.58	0.29	-46.23
COCC1=NC=C(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)C(C)=N1	REAL300020249018	1	45	-1.0	-46.52	361.64	0.29	-46.23
COC(=O)C1=CC(C#N)=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020249019	0	44	-1.0	-49.21	374.03	3.58	-45.63
COC(=O)C1=CC(C#N)=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020249019	1	44	-1.0	-49.23	374.10	3.59	-45.64
O=C(NC1=CC=CC(OC2CCC2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249020	0	48	-1.0	-49.37	375.38	4.26	-45.11
O=C(NC1=CC=CC(OC2CCC2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249020	1	48	-1.0	-49.38	375.44	4.27	-45.11
COC1=CC2=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=CC=C2C=C1	REAL300020249021	0	47	-1.0	-54.34	371.00	4.22	-50.12
COC1=CC2=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=CC=C2C=C1	REAL300020249021	1	47	-1.0	-54.36	371.07	4.22	-50.14
O=C(NC1=C(F)C=C2NC(=O)COC2=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249022	0	43	-1.0	-49.47	354.74	-0.16	-49.63
O=C(NC1=C(F)C=C2NC(=O)COC2=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249022	1	43	-1.0	-49.46	354.81	-0.16	-49.62
CC1=NN(C)C(C(F)F)=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249023	0	43	-1.0	-53.14	352.56	1.53	-51.61
CC1=NN(C)C(C(F)F)=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249023	1	43	-1.0	-53.11	352.66	1.52	-51.59
CC(C)C(C)OC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249024	0	53	-1.0	-51.18	413.34	1.31	-49.87
CC(C)C(C)OC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249024	1	53	-1.0	-51.20	413.29	1.30	-49.90
O=C(NC1=CC(N2C=CC=N2)=CC=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249025	0	43	-1.0	-55.58	353.43	3.41	-52.17
O=C(NC1=CC(N2C=CC=N2)=CC=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249025	1	43	-1.0	-55.54	353.50	3.43	-52.11
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1C(F)(F)F	REAL300020249026	0	43	-1.0	-50.55	348.66	4.44	-46.11
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1C(F)(F)F	REAL300020249026	1	43	-1.0	-50.58	348.73	4.46	-46.12
CC1=CC=CC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)C=C2)=C1	REAL300020249027	0	50	-1.0	-47.69	393.98	6.61	-41.08
CC1=CC=CC(C2=CC=C(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)C=C2)=C1	REAL300020249027	1	50	-1.0	-47.68	394.05	6.63	-41.05
CC(F)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020249028	0	43	-1.0	-46.51	345.30	4.01	-42.50
CC(F)C1=CC=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020249028	1	43	-1.0	-46.56	345.36	4.02	-42.54
O=C(NC1=CC=CC(C2=CC=NC=C2)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249029	0	46	-1.0	-48.90	366.90	4.21	-44.69
O=C(NC1=CC=CC(C2=CC=NC=C2)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249029	1	46	-1.0	-48.90	366.96	4.23	-44.67
CC1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=CN=C2C=C1	REAL300020249030	0	45	-1.0	-47.61	360.19	3.62	-43.99
CC1=CC2=CC(NC(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=CN=C2C=C1	REAL300020249030	1	45	-1.0	-47.60	360.13	3.60	-44.00
CC(C)CN1C=CC(NC(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020249031	0	46	-1.0	-52.39	363.28	3.59	-48.80
CC(C)CN1C=CC(NC(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020249031	1	46	-1.0	-52.33	363.23	3.57	-48.76
O=C(NC1=CC=C(C2CCCCC2)C=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249032	0	53	-1.0	-46.06	399.30	6.35	-39.71
O=C(NC1=CC=C(C2CCCCC2)C=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249032	1	53	-1.0	-46.08	399.35	6.36	-39.72
O=C(NC1=CC=CC(CCF)=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249033	0	43	-1.0	-47.07	346.97	4.13	-42.94
O=C(NC1=CC=CC(CCF)=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249033	1	43	-1.0	-47.07	347.02	4.15	-42.92
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249034	0	50	-1.0	-52.36	394.78	6.84	-45.52
CC1=CN(C2=CC=CC=C2)N=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249034	1	50	-1.0	-52.35	394.73	6.83	-45.52
CCCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249035	0	49	-1.0	-44.65	372.25	6.27	-38.38
CCCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249035	1	49	-1.0	-44.65	372.30	6.27	-38.38
O=C(NC1=CC2=CC=CN=C2C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249036	0	45	-1.0	-46.33	354.19	4.23	-42.10
O=C(NC1=CC2=CC=CN=C2C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249036	1	45	-1.0	-46.29	354.14	4.22	-42.07
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249037	0	50	-1.0	-44.82	383.20	4.71	-40.11
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249037	1	50	-1.0	-44.82	383.25	4.72	-40.10
O=C(NC1=CC=CC(OC(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249038	0	44	-1.0	-47.62	352.42	3.40	-44.22
O=C(NC1=CC=CC(OC(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249038	1	44	-1.0	-47.62	352.47	3.42	-44.20
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249039	0	40	-1.0	-40.83	335.76	4.39	-36.44
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249039	1	40	-1.0	-40.83	335.81	4.41	-36.42
O=C(NC1=CC=C(CN2C=NC=N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249040	0	49	-1.0	-50.83	390.90	6.93	-43.90
O=C(NC1=CC=C(CN2C=NC=N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249040	1	49	-1.0	-50.84	390.85	6.94	-43.90
O=C(NC1=CC=CC(N2C=CC=N2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249041	0	47	-1.0	-54.51	371.80	4.97	-49.54
O=C(NC1=CC=CC(N2C=CC=N2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249041	1	47	-1.0	-54.51	371.75	4.97	-49.54
O=C(NC1=CC=C2NC(=O)CCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249042	0	48	-1.0	-47.16	372.80	2.98	-44.18
O=C(NC1=CC=C2NC(=O)CCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249042	1	48	-1.0	-47.13	372.85	2.98	-44.15
CN(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249043	0	48	-1.0	-45.28	366.04	3.60	-41.68
CN(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249043	1	48	-1.0	-45.30	366.10	3.62	-41.68
CC(C)C(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249044	0	53	-1.0	-48.99	409.19	4.18	-44.81
CC(C)C(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249044	1	53	-1.0	-49.02	409.24	4.20	-44.82
O=C(NC1=CC=CC(C2=NN=CO2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249045	0	45	-1.0	-54.15	363.21	-0.33	-54.48
O=C(NC1=CC=CC(C2=NN=CO2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249045	1	45	-1.0	-54.18	363.26	-0.31	-54.49
O=C(NC1=CC=CC=C1N1C=NC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249046	0	46	-1.0	-54.16	360.50	7.02	-47.14
O=C(NC1=CC=CC=C1N1C=NC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249046	1	46	-1.0	-54.19	360.45	7.02	-47.17
O=C(NC1=CC=CC(NC(=O)C2CC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249047	0	51	-1.0	-51.97	400.39	4.30	-47.67
O=C(NC1=CC=CC(NC(=O)C2CC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249047	1	51	-1.0	-51.95	400.44	4.32	-47.63
O=C(NC1=CC=CC=C1N1C=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249048	0	47	-1.0	-53.73	366.79	5.73	-48.00
O=C(NC1=CC=CC=C1N1C=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249048	1	47	-1.0	-53.73	366.74	5.72	-48.01
CC(=O)NC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020249049	0	50	-1.0	-56.53	386.41	3.62	-52.91
CC(=O)NC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020249049	1	50	-1.0	-56.54	386.47	3.63	-52.91
NC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020249050	0	44	-1.0	-44.85	359.91	1.15	-43.70
NC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020249050	1	44	-1.0	-44.86	359.97	1.17	-43.69
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020249051	0	44	-1.0	-47.72	359.84	1.15	-46.57
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020249051	1	44	-1.0	-47.78	359.89	1.18	-46.60
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1C(N)=O	REAL300020249052	0	47	-1.0	-50.99	359.70	1.52	-49.47
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1C(N)=O	REAL300020249052	1	47	-1.0	-50.94	359.75	1.52	-49.42
NC(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249053	0	47	-1.0	-47.13	369.09	1.43	-45.70
NC(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249053	1	47	-1.0	-47.07	369.14	1.44	-45.63
NC(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249054	0	47	-1.0	-53.61	372.32	1.29	-52.32
NC(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249054	1	47	-1.0	-53.60	372.37	1.31	-52.29
CCCNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249055	0	53	-1.0	-57.10	412.63	3.72	-53.38
CCCNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249055	1	53	-1.0	-57.12	412.68	3.74	-53.38
O=C(NC1=CC=C2OCOC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249056	0	43	-1.0	-46.51	338.35	2.42	-44.09
O=C(NC1=CC=C2OCOC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249056	1	43	-1.0	-46.53	338.40	2.43	-44.10
O=C(NC1=CC=C(SC(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249057	0	44	-1.0	-45.86	362.95	5.08	-40.78
O=C(NC1=CC=C(SC(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249057	1	44	-1.0	-45.88	363.01	5.09	-40.79
CC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249058	0	47	-1.0	-52.47	369.26	2.71	-49.76
CC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249058	1	47	-1.0	-52.47	369.32	2.72	-49.75
O=C(NC1=CC=C2OCCOC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249059	0	46	-1.0	-48.47	357.69	2.97	-45.50
O=C(NC1=CC=C2OCCOC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249059	1	46	-1.0	-48.47	357.74	2.99	-45.48
CC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249060	0	46	-1.0	-44.64	352.05	5.40	-39.24
CC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249060	1	46	-1.0	-44.64	352.11	5.40	-39.24
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249061	0	46	-1.0	-51.10	369.86	3.91	-47.19
COC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249061	1	46	-1.0	-51.10	369.91	3.92	-47.18
CC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249062	0	45	-1.0	-45.02	354.15	4.25	-40.77
CC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249062	1	45	-1.0	-45.03	354.20	4.26	-40.77
O=C(NC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249063	0	40	-1.0	-45.16	313.12	3.83	-41.33
O=C(NC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249063	1	40	-1.0	-45.15	313.17	3.83	-41.32
O=C(NC1=CC=CC=C1Br)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249064	0	40	-1.0	-44.68	331.93	4.58	-40.10
O=C(NC1=CC=CC=C1Br)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249064	1	40	-1.0	-44.70	331.98	4.59	-40.11
O=C(NC1=CC=C(Br)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249065	0	40	-1.0	-42.10	334.44	4.44	-37.66
O=C(NC1=CC=C(Br)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249065	1	40	-1.0	-42.08	334.49	4.45	-37.63
O=C(NC1=CC=CC(Br)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249066	0	40	-1.0	-45.20	334.46	4.45	-40.75
O=C(NC1=CC=CC(Br)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249066	1	40	-1.0	-45.17	334.52	4.46	-40.71
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249067	0	43	-1.0	-44.64	333.67	4.44	-40.20
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249067	1	43	-1.0	-44.61	333.72	4.46	-40.15
CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249068	0	43	-1.0	-44.38	330.65	4.73	-39.65
CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249068	1	43	-1.0	-44.33	330.70	4.73	-39.60
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249069	0	44	-1.0	-48.42	342.66	3.12	-45.30
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249069	1	44	-1.0	-48.49	342.72	3.14	-45.35
COC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249070	0	44	-1.0	-47.51	341.65	3.23	-44.28
COC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249070	1	44	-1.0	-47.55	341.70	3.23	-44.32
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249071	0	46	-1.0	-44.60	347.62	5.27	-39.33
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249071	1	46	-1.0	-44.61	347.67	5.27	-39.34
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020249072	0	46	-1.0	-44.38	352.03	5.40	-38.98
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020249072	1	46	-1.0	-44.39	352.08	5.40	-38.99
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020249073	0	46	-1.0	-45.84	351.56	5.04	-40.80
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020249073	1	46	-1.0	-45.81	351.61	5.05	-40.76
O=C(NC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249074	0	40	-1.0	-42.39	319.57	3.88	-38.51
O=C(NC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249074	1	40	-1.0	-42.42	319.62	3.90	-38.52
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249075	0	47	-1.0	-44.22	364.50	4.04	-40.18
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249075	1	47	-1.0	-44.19	364.56	4.05	-40.14
O=C(NC1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249076	0	42	-1.0	-50.81	341.38	4.49	-46.32
O=C(NC1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249076	1	42	-1.0	-50.81	341.42	4.51	-46.30
O=C(NC1=CC=CC=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249077	0	40	-1.0	-44.82	327.79	4.45	-40.37
O=C(NC1=CC=CC=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249077	1	40	-1.0	-44.85	327.84	4.46	-40.39
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020249078	0	45	-1.0	-43.35	357.40	5.01	-38.34
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020249078	1	45	-1.0	-43.34	357.45	5.02	-38.32
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249079	0	45	-1.0	-45.79	358.83	5.40	-40.39
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249079	1	45	-1.0	-45.82	358.88	5.40	-40.42
O=C(NC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249080	0	40	-1.0	-40.81	345.07	4.80	-36.01
O=C(NC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249080	1	40	-1.0	-40.80	345.12	4.82	-35.98
CC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020249081	0	49	-1.0	-45.64	378.19	6.21	-39.43
CC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020249081	1	49	-1.0	-45.63	378.20	6.20	-39.43
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249082	0	48	-1.0	-46.04	365.67	4.24	-41.80
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249082	1	48	-1.0	-46.04	365.72	4.25	-41.79
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249083	0	43	-1.0	-44.72	334.55	4.49	-40.23
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249083	1	43	-1.0	-44.73	334.60	4.50	-40.23
O=C(NC1=CC(Cl)=CC=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249084	0	40	-1.0	-43.71	344.54	4.97	-38.74
O=C(NC1=CC(Cl)=CC=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249084	1	40	-1.0	-43.73	344.59	4.98	-38.75
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249085	0	44	-1.0	-44.39	342.65	3.10	-41.29
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249085	1	44	-1.0	-44.39	342.70	3.12	-41.27
O=C(NC1=CC=CC(Cl)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249086	0	40	-1.0	-45.32	329.90	4.34	-40.98
O=C(NC1=CC=CC(Cl)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249086	1	40	-1.0	-45.28	329.95	4.36	-40.92
O=C(NC1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249087	0	40	-1.0	-46.22	319.58	3.89	-42.33
O=C(NC1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249087	1	40	-1.0	-46.20	319.63	3.91	-42.29
CCC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249088	0	49	-1.0	-45.09	369.69	6.24	-38.85
CCC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249088	1	49	-1.0	-45.08	369.76	6.24	-38.84
CSC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249089	0	44	-1.0	-48.25	353.38	4.85	-43.40
CSC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249089	1	44	-1.0	-48.27	353.43	4.86	-43.41
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020249090	0	43	-1.0	-45.50	348.61	4.93	-40.57
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020249090	1	43	-1.0	-45.49	348.66	4.94	-40.55
O=C(NC1=CC=CC2=CC=CC=C21)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249091	0	46	-1.0	-46.76	356.37	6.24	-40.52
O=C(NC1=CC=CC2=CC=CC=C21)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249091	1	46	-1.0	-46.76	356.43	6.24	-40.52
O=C(NC1=CC2=CC=CC=C2C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249092	0	46	-1.0	-45.80	359.33	6.10	-39.70
O=C(NC1=CC2=CC=CC=C2C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249092	1	46	-1.0	-45.76	359.37	6.11	-39.65
O=C(NC1=CC=C(Cl)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249093	0	40	-1.0	-42.18	329.88	4.33	-37.85
O=C(NC1=CC=C(Cl)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249093	1	40	-1.0	-42.18	329.93	4.35	-37.83
O=C(NC1=CC=CC=C1C(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249094	0	43	-1.0	-47.70	346.76	5.12	-42.58
O=C(NC1=CC=CC=C1C(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249094	1	43	-1.0	-47.72	346.81	5.13	-42.59
O=C(NC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249095	0	43	-1.0	-42.51	350.97	4.78	-37.73
O=C(NC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249095	1	43	-1.0	-42.55	351.03	4.79	-37.76
O=C(NC1=CC=CC2=CN=CC=C21)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249096	0	45	-1.0	-46.49	351.55	4.45	-42.04
O=C(NC1=CC=CC2=CN=CC=C21)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249096	1	45	-1.0	-46.51	351.49	4.45	-42.06
COC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249097	0	44	-1.0	-46.81	358.39	3.76	-43.05
COC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249097	1	44	-1.0	-46.82	358.44	3.77	-43.05
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249098	0	46	-1.0	-44.07	367.85	4.48	-39.59
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249098	1	46	-1.0	-44.10	367.91	4.50	-39.60
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249099	0	58	-1.0	-45.51	424.65	7.92	-37.59
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249099	1	58	-1.0	-45.54	424.71	7.93	-37.61
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249100	0	52	-1.0	-44.24	389.30	6.14	-38.10
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249100	1	52	-1.0	-44.25	389.35	6.15	-38.10
CC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249101	0	47	-1.0	-49.89	369.54	2.72	-47.17
CC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249101	1	47	-1.0	-49.89	369.59	2.72	-47.17
CC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249102	0	43	-1.0	-41.86	347.35	5.24	-36.62
CC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249102	1	43	-1.0	-41.83	347.40	5.24	-36.59
O=C(NC1=CC=CC=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249103	0	40	-1.0	-45.61	318.75	3.93	-41.68
O=C(NC1=CC=CC=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249103	1	40	-1.0	-45.61	318.80	3.93	-41.68
CC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249104	0	43	-1.0	-42.87	344.68	5.16	-37.71
CC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249104	1	43	-1.0	-42.90	344.73	5.16	-37.74
O=C(NC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249105	0	40	-1.0	-41.38	344.54	4.96	-36.42
O=C(NC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249105	1	40	-1.0	-41.40	344.59	4.97	-36.43
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249106	0	50	-1.0	-44.99	386.48	7.26	-37.73
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249106	1	50	-1.0	-44.96	386.53	7.27	-37.69
O=C(NC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249107	0	40	-1.0	-41.13	346.61	4.84	-36.29
O=C(NC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249107	1	40	-1.0	-41.14	346.66	4.86	-36.28
CCOC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249108	0	49	-1.0	-43.89	389.72	5.40	-38.49
CCOC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249108	1	49	-1.0	-43.89	389.77	5.42	-38.47
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020249109	0	43	-1.0	-44.55	349.22	5.12	-39.43
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020249109	1	43	-1.0	-44.58	349.27	5.12	-39.46
CCCCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249110	0	52	-1.0	-44.35	399.03	6.82	-37.53
CCCCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249110	1	52	-1.0	-44.34	399.08	6.83	-37.51
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249111	0	49	-1.0	-44.27	373.33	5.73	-38.54
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249111	1	49	-1.0	-44.35	373.39	5.75	-38.60
O=C(NC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249112	0	44	-1.0	-42.70	359.14	3.61	-39.09
O=C(NC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249112	1	44	-1.0	-42.69	359.20	3.61	-39.08
O=C(NC1=CC=C(N2CCCCC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249113	0	55	-1.0	-44.24	405.27	5.11	-39.13
O=C(NC1=CC=C(N2CCCCC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249113	1	55	-1.0	-44.22	405.32	5.12	-39.10
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249114	0	41	-1.0	-43.38	333.97	4.21	-39.17
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249114	1	41	-1.0	-43.38	334.02	4.22	-39.16
CC(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249115	0	49	-1.0	-44.89	368.82	5.97	-38.92
CC(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249115	1	49	-1.0	-44.89	368.87	5.97	-38.92
O=C(NC1=CC=C(F)C(F)=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249116	0	40	-1.0	-41.23	331.34	4.05	-37.18
O=C(NC1=CC=C(F)C(F)=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249116	1	40	-1.0	-41.24	331.39	4.06	-37.18
O=C(NC1=CC=C(F)C=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249117	0	40	-1.0	-41.80	325.18	3.99	-37.81
O=C(NC1=CC=C(F)C=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249117	1	40	-1.0	-41.85	325.23	4.00	-37.85
O=C(NC1=CC(F)=CC=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249118	0	40	-1.0	-44.81	325.17	4.01	-40.80
O=C(NC1=CC(F)=CC=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249118	1	40	-1.0	-44.88	325.22	4.01	-40.87
CC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249119	0	45	-1.0	-51.01	354.15	4.25	-46.76
CC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249119	1	45	-1.0	-51.05	354.20	4.26	-46.79
O=C(NC1=CC=C(F)C=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249120	0	40	-1.0	-41.40	334.23	4.52	-36.88
O=C(NC1=CC=C(F)C=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249120	1	40	-1.0	-41.40	334.28	4.53	-36.87
O=C(NC1=CC=CC(Cl)=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249121	0	40	-1.0	-43.13	342.97	4.92	-38.21
O=C(NC1=CC=CC(Cl)=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249121	1	40	-1.0	-43.17	343.02	4.92	-38.25
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249122	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	REAL300020249122	1	40	-1.0	-49.21	324.76	3.89	-45.32
O=C(NC1=CC=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249123	0	40	-1.0	-41.03	325.88	3.94	-37.09
O=C(NC1=CC=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249123	1	40	-1.0	-41.03	325.93	3.96	-37.07
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020249124	0	48	-1.0	-45.94	371.58	3.05	-42.89
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020249124	1	48	-1.0	-45.88	371.64	3.07	-42.81
O=C(NC1=CC=C(F)C(Cl)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249125	0	40	-1.0	-40.90	335.76	4.39	-36.51
O=C(NC1=CC=C(F)C(Cl)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249125	1	40	-1.0	-40.87	335.81	4.41	-36.46
COC1=CC(OC)=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249126	0	48	-1.0	-47.47	372.12	2.42	-45.05
COC1=CC(OC)=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249126	1	48	-1.0	-47.49	372.17	2.44	-45.05
CC1=CC(C)=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249127	0	46	-1.0	-45.12	355.95	5.16	-39.96
CC1=CC(C)=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249127	1	46	-1.0	-45.12	356.00	5.17	-39.95
O=C(NC1=CC=C(Cl)C=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249128	0	40	-1.0	-41.87	335.50	4.45	-37.42
O=C(NC1=CC=C(Cl)C=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249128	1	40	-1.0	-41.82	335.55	4.45	-37.37
CC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249129	0	43	-1.0	-43.75	337.06	4.80	-38.95
CC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249129	1	43	-1.0	-43.81	337.11	4.80	-39.01
O=C(NC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249130	0	43	-1.0	-41.96	351.86	4.82	-37.14
O=C(NC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249130	1	43	-1.0	-41.99	351.91	4.83	-37.16
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249131	0	46	-1.0	-44.46	356.03	5.26	-39.20
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249131	1	46	-1.0	-44.46	356.08	5.27	-39.19
COC1=CC=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249132	0	47	-1.0	-47.88	363.07	3.92	-43.96
COC1=CC=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249132	1	47	-1.0	-47.88	363.12	3.92	-43.96
COC1=CC=C(OC)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249133	0	48	-1.0	-50.16	371.13	2.53	-47.63
COC1=CC=C(OC)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249133	1	48	-1.0	-50.19	371.18	2.53	-47.66
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020249134	0	43	-1.0	-46.36	339.88	4.53	-41.83
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020249134	1	43	-1.0	-46.36	339.93	4.55	-41.81
CC(C)(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249135	0	52	-1.0	-45.40	378.74	6.95	-38.45
CC(C)(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249135	1	52	-1.0	-45.42	378.79	6.96	-38.46
O=C(NC1=CC=CC2=C1CCCC2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249136	0	50	-1.0	-45.05	371.99	6.44	-38.61
O=C(NC1=CC=CC2=C1CCCC2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249136	1	50	-1.0	-45.01	372.04	6.44	-38.57
CSC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249137	0	44	-1.0	-47.65	351.08	4.96	-42.69
CSC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249137	1	44	-1.0	-47.58	351.14	4.97	-42.61
O=C(NC1=CC=CC=C1N1CCCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249138	0	55	-1.0	-45.50	409.35	5.63	-39.87
O=C(NC1=CC=CC=C1N1CCCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249138	1	55	-1.0	-45.53	409.41	5.65	-39.88
O=C(NC1=CC=CC(OC(F)(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249139	0	44	-1.0	-44.93	359.16	3.62	-41.31
O=C(NC1=CC=CC(OC(F)(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249139	1	44	-1.0	-44.97	359.21	3.63	-41.34
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CN=C12	REAL300020249140	0	48	-1.0	-45.79	370.60	5.12	-40.67
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CN=C12	REAL300020249140	1	48	-1.0	-45.76	370.55	5.11	-40.65
O=C(NC1=CC=C(N2C=NC=N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249141	0	46	-1.0	-49.52	366.72	6.29	-43.23
O=C(NC1=CC=C(N2C=NC=N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249141	1	46	-1.0	-49.51	366.67	6.29	-43.22
CC1=NC=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)O1	REAL300020249142	0	49	-1.0	-46.29	389.59	2.93	-43.36
CC1=NC=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)O1	REAL300020249142	1	49	-1.0	-46.24	389.64	2.94	-43.30
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020249143	0	43	-1.0	-45.23	340.17	4.60	-40.63
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020249143	1	43	-1.0	-45.22	340.22	4.61	-40.61
O=C(NC1=CC=CC=C1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249144	0	50	-1.0	-47.29	388.88	7.85	-39.44
O=C(NC1=CC=CC=C1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249144	1	50	-1.0	-47.26	388.94	7.85	-39.41
N#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249145	0	41	-1.0	-44.59	333.72	4.23	-40.36
N#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249145	1	41	-1.0	-44.60	333.78	4.24	-40.36
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=C1	REAL300020249146	0	48	-1.0	-46.68	371.14	2.53	-44.15
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=C1	REAL300020249146	1	48	-1.0	-46.67	371.19	2.54	-44.13
O=C(NC1=CC=C(Cl)C([N+](=O)[O-])=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249147	0	42	-1.0	-41.44	353.74	4.88	-36.56
O=C(NC1=CC=C(Cl)C([N+](=O)[O-])=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249147	1	42	-1.0	-41.42	353.79	4.88	-36.54
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020249148	0	44	-1.0	-43.39	358.69	3.67	-39.72
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020249148	1	44	-1.0	-43.35	358.74	3.69	-39.66
CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249149	0	47	-1.0	-47.05	362.66	4.11	-42.94
CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249149	1	47	-1.0	-47.05	362.71	4.12	-42.93
CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249150	0	46	-1.0	-45.72	356.06	5.26	-40.46
CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249150	1	46	-1.0	-45.67	356.11	5.28	-40.39
CCC1=CC=CC(CC)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249151	0	52	-1.0	-40.99	392.47	6.28	-34.71
CCC1=CC=CC(CC)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249151	1	52	-1.0	-40.95	392.50	6.31	-34.64
O=C(NC1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249152	0	42	-1.0	-40.48	356.01	5.12	-35.36
O=C(NC1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249152	1	42	-1.0	-40.52	356.06	5.13	-35.39
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300020249153	0	45	-1.0	-44.49	353.25	5.23	-39.26
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300020249153	1	45	-1.0	-44.54	353.31	5.24	-39.30
COC1=CC(Cl)=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249154	0	47	-1.0	-44.42	377.66	4.27	-40.15
COC1=CC(Cl)=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249154	1	47	-1.0	-44.42	377.72	4.27	-40.15
CC1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249155	0	43	-1.0	-45.83	340.17	4.60	-41.23
CC1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249155	1	43	-1.0	-45.81	340.22	4.61	-41.20
CC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249156	0	43	-1.0	-43.32	347.38	5.24	-38.08
CC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249156	1	43	-1.0	-43.26	347.44	5.24	-38.02
CC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249157	0	46	-1.0	-45.05	350.40	5.41	-39.64
CC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249157	1	46	-1.0	-45.12	350.43	5.42	-39.70
O=C(NC1=CC=C(OC(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249158	0	44	-1.0	-47.03	352.40	3.39	-43.64
O=C(NC1=CC=C(OC(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249158	1	44	-1.0	-47.04	352.46	3.40	-43.64
O=C(NC1=CC=CC=C1OC(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249159	0	44	-1.0	-46.73	351.41	3.51	-43.22
O=C(NC1=CC=CC=C1OC(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249159	1	44	-1.0	-46.71	351.46	3.52	-43.19
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2S1	REAL300020249160	0	45	-1.0	-46.25	365.34	3.86	-42.39
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2S1	REAL300020249160	1	45	-1.0	-46.25	365.40	3.89	-42.36
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2O1	REAL300020249161	0	45	-1.0	-46.11	356.45	1.49	-44.62
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2O1	REAL300020249161	1	45	-1.0	-46.13	356.50	1.50	-44.63
CC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249162	0	50	-1.0	-48.86	384.78	3.81	-45.05
CC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249162	1	50	-1.0	-48.84	384.84	3.81	-45.03
CC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020249163	0	50	-1.0	-53.79	387.02	3.60	-50.19
CC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020249163	1	50	-1.0	-53.73	387.08	3.61	-50.12
O=C(NC1=CC=C(NC(=O)C2CC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249164	0	51	-1.0	-51.20	399.66	4.32	-46.88
O=C(NC1=CC=C(NC(=O)C2CC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249164	1	51	-1.0	-51.22	399.72	4.33	-46.89
C#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249165	0	42	-1.0	-45.93	340.13	5.03	-40.90
C#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249165	1	42	-1.0	-45.95	340.19	5.04	-40.91
CN(C)C(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249166	0	50	-1.0	-59.84	382.49	3.25	-56.59
CN(C)C(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249166	1	50	-1.0	-59.84	382.53	3.26	-56.58
NC(=O)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249167	0	48	-1.0	-60.35	381.24	1.23	-59.12
NC(=O)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249167	1	48	-1.0	-60.33	381.30	1.25	-59.08
O=C(NC1=CC=C(Cl)C2=CC=CN=C12)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249168	0	45	-1.0	-46.98	367.87	4.82	-42.16
O=C(NC1=CC=C(Cl)C2=CC=CN=C12)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249168	1	45	-1.0	-46.96	367.82	4.81	-42.15
CC(=O)NC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020249169	0	47	-1.0	-47.95	375.13	2.81	-45.14
CC(=O)NC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020249169	1	47	-1.0	-47.94	375.18	2.83	-45.11
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N(C)C	REAL300020249170	0	51	-1.0	-44.07	386.88	4.42	-39.65
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N(C)C	REAL300020249170	1	51	-1.0	-44.10	386.93	4.43	-39.67
CN1C=NN=C1C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249171	0	49	-1.0	-59.23	383.61	6.28	-52.95
CN1C=NN=C1C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249171	1	49	-1.0	-59.21	383.66	6.28	-52.93
CN(C)C1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249172	0	48	-1.0	-44.72	374.76	3.77	-40.95
CN(C)C1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249172	1	48	-1.0	-44.76	374.82	3.78	-40.98
CC1=CC(N(C)C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249173	0	51	-1.0	-45.61	382.13	5.11	-40.50
CC1=CC(N(C)C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249173	1	51	-1.0	-45.58	382.19	5.12	-40.46
O=C([N-]C1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249174	0	45	-2.0	-110.40	373.58	4.58	-105.82
O=C([N-]C1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249174	1	45	-2.0	-110.42	373.53	4.57	-105.85
O=C(NC1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249174	1	46	-1.0	-45.90	376.19	5.67	-40.23
O=C(NC1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249174	1	46	-1.0	-45.93	376.14	5.67	-40.26
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020249175	0	39	-1.0	-45.51	309.34	3.08	-42.43
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020249175	1	39	-1.0	-45.50	309.40	3.09	-42.41
CCOC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=C1	REAL300020249176	0	46	-1.0	-49.59	376.50	4.65	-44.94
CCOC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=C1	REAL300020249176	1	46	-1.0	-49.62	376.55	4.65	-44.97
N#CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=C1	REAL300020249177	0	38	-1.0	-46.01	323.43	3.37	-42.64
N#CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=C1	REAL300020249177	1	38	-1.0	-46.01	323.49	3.38	-42.63
COCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249178	0	51	-1.0	-46.26	398.13	3.31	-42.95
COCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249178	1	51	-1.0	-46.28	398.18	3.33	-42.95
N#CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249179	0	45	-1.0	-53.81	363.87	3.83	-49.98
N#CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249179	1	45	-1.0	-53.85	363.93	3.85	-50.00
CCC(=O)NC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249180	0	53	-1.0	-48.60	407.03	4.44	-44.16
CCC(=O)NC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249180	1	53	-1.0	-48.57	407.08	4.44	-44.13
CC(=O)NC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249181	0	50	-1.0	-47.79	387.03	3.61	-44.18
CC(=O)NC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249181	1	50	-1.0	-47.80	387.08	3.61	-44.19
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249182	0	49	-1.0	-50.42	388.29	3.05	-47.37
O=C(NC1=CC=C2OC(C3CC3)=NC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249182	1	49	-1.0	-50.44	388.35	3.06	-47.38
CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249183	0	43	-1.0	-44.38	330.65	4.73	-39.65
CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249183	1	43	-1.0	-44.33	330.70	4.73	-39.60
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020249184	0	46	-1.0	-44.38	352.03	5.40	-38.98
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020249184	1	46	-1.0	-44.39	352.08	5.40	-38.99
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249185	0	43	-1.0	-44.72	334.55	4.49	-40.23
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249185	1	43	-1.0	-44.73	334.60	4.50	-40.23
CCN(C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C(C)C	REAL300020249186	0	57	-1.0	-45.40	418.51	6.39	-39.01
CCN(C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C(C)C	REAL300020249186	1	57	-1.0	-45.44	418.57	6.40	-39.04
CC1=CC(N2CCCC2)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249187	0	55	-1.0	-43.41	404.12	5.00	-38.41
CC1=CC(N2CCCC2)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249187	1	55	-1.0	-43.42	404.16	5.01	-38.41
O=C(NC1=CC=CC(N2C=NN=N2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249188	0	45	-1.0	-50.96	361.55	4.01	-46.95
O=C(NC1=CC=CC(N2C=NN=N2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249188	1	45	-1.0	-50.94	361.49	3.99	-46.95
O=C(NC1=CC(Cl)=CC=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249189	0	40	-1.0	-44.25	335.49	4.46	-39.79
O=C(NC1=CC(Cl)=CC=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249189	1	40	-1.0	-44.24	335.54	4.45	-39.79
O=C(NC1=CC=CC2=CC=CN=C21)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249190	0	45	-1.0	-51.16	353.47	4.39	-46.77
O=C(NC1=CC=CC2=CC=CN=C21)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249190	1	45	-1.0	-51.12	353.41	4.39	-46.73
CCNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249191	0	50	-1.0	-57.24	391.13	2.96	-54.28
CCNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249191	1	50	-1.0	-57.27	391.18	2.97	-54.30
O=C(NC1=CC=C(C2=NC=CS2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249192	0	46	-1.0	-45.89	376.75	4.67	-41.22
O=C(NC1=CC=C(C2=NC=CS2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249192	1	46	-1.0	-45.89	376.70	4.67	-41.22
CC(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249193	0	49	-1.0	-45.86	373.37	5.74	-40.12
CC(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249193	1	49	-1.0	-45.87	373.42	5.76	-40.11
CCCCCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249194	0	55	-1.0	-44.33	420.53	7.60	-36.73
CCCCCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249194	1	55	-1.0	-44.29	420.58	7.61	-36.68
CCCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249195	0	49	-1.0	-44.33	377.53	6.03	-38.30
CCCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249195	1	49	-1.0	-44.36	377.58	6.05	-38.31
O=C(NC1=CC=CC=C1SC(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249196	0	44	-1.0	-46.19	360.69	5.22	-40.97
O=C(NC1=CC=CC=C1SC(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249196	1	44	-1.0	-46.17	360.75	5.22	-40.95
CNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249197	0	47	-1.0	-57.71	369.64	2.11	-55.60
CNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249197	1	47	-1.0	-57.76	369.70	2.13	-55.63
NC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249198	0	44	-1.0	-52.32	347.40	0.63	-51.69
NC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249198	1	44	-1.0	-52.37	347.45	0.64	-51.73
O=C(NC1=CC=C2OCC(=O)NC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249199	0	46	-1.0	-46.95	363.03	0.99	-45.96
O=C(NC1=CC=C2OCC(=O)NC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249199	1	46	-1.0	-46.96	363.09	1.00	-45.96
N#CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249200	0	45	-1.0	-47.58	363.86	3.81	-43.77
N#CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249200	1	45	-1.0	-47.54	363.91	3.83	-43.71
O=C(NC1=CC=C(N2CCCC2=O)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249201	0	51	-1.0	-53.41	389.63	4.96	-48.45
O=C(NC1=CC=C(N2CCCC2=O)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249201	1	51	-1.0	-53.40	389.68	4.96	-48.44
CC(=O)N1CCC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020249202	0	51	-1.0	-50.64	391.98	4.85	-45.79
CC(=O)N1CCC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020249202	1	51	-1.0	-50.66	392.04	4.86	-45.80
COC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249203	0	49	-1.0	-48.31	385.43	5.37	-42.94
COC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249203	1	49	-1.0	-48.33	385.48	5.37	-42.96
O=C(NC1=CC=C2CCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249204	0	47	-1.0	-45.56	357.79	5.67	-39.89
O=C(NC1=CC=C2CCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249204	1	47	-1.0	-45.55	357.84	5.68	-39.87
CC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020249205	0	46	-1.0	-47.17	366.93	5.62	-41.55
CC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020249205	1	46	-1.0	-47.15	367.02	5.61	-41.54
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020249206	0	41	-1.0	-42.44	349.10	4.65	-37.79
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020249206	1	41	-1.0	-42.41	349.15	4.68	-37.73
CCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249207	0	46	-1.0	-44.49	351.53	5.44	-39.05
CCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249207	1	46	-1.0	-44.45	351.58	5.45	-39.00
CC1=CC(=O)OC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C12	REAL300020249208	0	48	-1.0	-55.17	379.00	5.90	-49.27
CC1=CC(=O)OC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C12	REAL300020249208	1	48	-1.0	-55.15	379.05	5.92	-49.23
CS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249209	0	46	-1.0	-50.35	373.82	1.34	-49.01
CS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249209	1	46	-1.0	-50.33	373.87	1.35	-48.98
CC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249210	0	43	-1.0	-41.94	337.04	4.79	-37.15
CC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249210	1	43	-1.0	-41.93	337.09	4.79	-37.14
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249211	0	46	-1.0	-48.07	367.67	4.50	-43.57
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249211	1	46	-1.0	-48.02	367.72	4.51	-43.51
O=C(NC1=CC=CC(N2CCNC2=O)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249212	0	50	-1.0	-59.53	385.36	2.56	-56.97
O=C(NC1=CC=CC(N2CCNC2=O)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249212	1	50	-1.0	-59.51	385.41	2.58	-56.93
O=C(NC1=CC=C(OC2CCCC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249213	0	54	-1.0	-44.20	406.42	6.04	-38.16
O=C(NC1=CC=C(OC2CCCC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249213	1	54	-1.0	-44.19	406.48	6.04	-38.15
O=C(NC1=CC=CC(OC2CCCC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249214	0	54	-1.0	-48.76	407.19	6.02	-42.74
O=C(NC1=CC=CC(OC2CCCC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249214	1	54	-1.0	-48.78	407.24	6.03	-42.75
COC1=C(C)C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249215	0	50	-1.0	-44.19	380.47	4.87	-39.32
COC1=C(C)C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249215	1	50	-1.0	-44.25	380.53	4.87	-39.38
O=C(NC1=CC=CC(N2CCOC2=O)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249216	0	49	-1.0	-60.24	381.54	3.91	-56.33
O=C(NC1=CC=CC(N2CCOC2=O)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249216	1	49	-1.0	-60.29	381.59	3.92	-56.37
O=C(NC1=CC=CC(N2CCCC2=O)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249217	0	51	-1.0	-57.46	390.72	4.95	-52.51
O=C(NC1=CC=CC(N2CCCC2=O)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249217	1	51	-1.0	-57.44	390.77	4.97	-52.47
CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020249218	0	50	-1.0	-47.67	387.03	3.00	-44.67
CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020249218	1	50	-1.0	-47.66	387.08	3.03	-44.63
CNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249219	0	50	-1.0	-51.21	381.63	3.03	-48.18
CNC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249219	1	50	-1.0	-51.27	381.68	3.03	-48.24
CNC(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249220	0	50	-1.0	-47.56	390.08	2.98	-44.58
CNC(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249220	1	50	-1.0	-47.54	390.14	2.98	-44.56
CNC(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249221	0	50	-1.0	-53.78	394.25	2.78	-51.00
CNC(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249221	1	50	-1.0	-53.74	394.30	2.79	-50.95
CNC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249222	0	50	-1.0	-52.97	387.09	2.99	-49.98
CNC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249222	1	50	-1.0	-52.96	387.14	3.00	-49.96
CCNC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249223	0	53	-1.0	-52.47	408.58	3.83	-48.64
CCNC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249223	1	53	-1.0	-52.44	408.63	3.84	-48.60
O=C(NC1=CC=C(OC2CCCC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249224	0	54	-1.0	-44.20	406.42	6.04	-38.16
O=C(NC1=CC=C(OC2CCCC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249224	1	54	-1.0	-44.19	406.48	6.04	-38.15
CC(C)OC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249225	0	50	-1.0	-47.52	381.43	4.78	-42.74
CC(C)OC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249225	1	50	-1.0	-47.48	381.48	4.78	-42.70
CCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249226	0	50	-1.0	-48.30	386.01	4.85	-43.45
CCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249226	1	50	-1.0	-48.30	386.07	4.86	-43.44
O=C(NC1=CC=C2OC(F)(F)OC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249227	0	43	-1.0	-40.88	352.72	2.92	-37.96
O=C(NC1=CC=C2OC(F)(F)OC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249227	1	43	-1.0	-40.92	352.77	2.93	-37.99
CSC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249228	0	44	-1.0	-43.72	353.34	4.84	-38.88
CSC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249228	1	44	-1.0	-43.68	353.40	4.85	-38.83
CS(=O)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249229	0	46	-1.0	-53.93	373.53	1.36	-52.57
CS(=O)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249229	1	46	-1.0	-53.92	373.58	1.37	-52.55
CC1OC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2NC1=O	REAL300020249230	0	49	-1.0	-44.79	383.68	1.84	-42.95
CC1OC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2NC1=O	REAL300020249230	1	49	-1.0	-44.77	383.73	1.85	-42.92
O=C(NC1=CC=CC(C(=O)NC2CC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249231	0	51	-1.0	-51.99	400.93	3.83	-48.16
O=C(NC1=CC=CC(C(=O)NC2CC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249231	1	51	-1.0	-51.96	400.98	3.85	-48.11
O=C(NC1=CC(F)=CC(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249232	0	40	-1.0	-41.34	325.98	3.95	-37.39
O=C(NC1=CC(F)=CC(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249232	1	40	-1.0	-41.35	326.03	3.96	-37.39
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020249233	0	46	-1.0	-43.64	367.23	5.36	-38.28
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020249233	1	46	-1.0	-43.65	367.28	5.37	-38.28
N#CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020249234	0	41	-1.0	-42.56	349.12	4.64	-37.92
N#CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020249234	1	41	-1.0	-42.54	349.17	4.66	-37.88
O=C(NC1=CC=C(C(=O)NC2CC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249235	0	51	-1.0	-45.68	400.29	3.86	-41.82
O=C(NC1=CC=C(C(=O)NC2CC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249235	1	51	-1.0	-45.69	400.34	3.86	-41.83
O=C(NC1=CC=C(N2CCNC2=O)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249236	0	50	-1.0	-55.73	385.63	2.54	-53.19
O=C(NC1=CC=C(N2CCNC2=O)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249236	1	50	-1.0	-55.74	385.68	2.56	-53.18
CS(=O)(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249237	0	46	-1.0	-46.82	366.46	2.04	-44.78
CS(=O)(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249237	1	46	-1.0	-46.81	366.52	2.05	-44.76
COC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249238	0	44	-1.0	-44.13	348.08	3.31	-40.82
COC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249238	1	44	-1.0	-44.14	348.13	3.31	-40.83
CN(C)C(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249239	0	53	-1.0	-53.40	411.61	4.74	-48.66
CN(C)C(=O)CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249239	1	53	-1.0	-53.46	411.66	4.75	-48.71
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249240	0	53	-1.0	-50.48	406.54	4.63	-45.85
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249240	1	53	-1.0	-50.57	406.28	4.63	-45.94
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1N1C=NN=N1	REAL300020249241	0	48	-1.0	-50.36	377.21	4.76	-45.60
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1N1C=NN=N1	REAL300020249241	1	48	-1.0	-50.34	377.16	4.74	-45.60
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1N1C=NN=N1	REAL300020249242	0	48	-1.0	-45.60	376.85	4.71	-40.89
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1N1C=NN=N1	REAL300020249242	1	48	-1.0	-45.60	376.80	4.70	-40.90
O=C(NC1=CC=CC(CN2C=CC=N2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249243	0	50	-1.0	-49.20	397.00	5.49	-43.71
O=C(NC1=CC=CC(CN2C=CC=N2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249243	1	50	-1.0	-49.14	396.95	5.48	-43.66
O=C(NC1=CC=CC(CN2C=CN=C2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249244	0	50	-1.0	-50.51	395.54	7.04	-43.47
O=C(NC1=CC=CC(CN2C=CN=C2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249244	1	50	-1.0	-50.50	395.60	7.05	-43.45
O=C(NC1=CC=C(N2C=NN=N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249245	0	45	-1.0	-50.85	361.71	3.95	-46.90
O=C(NC1=CC=C(N2C=NN=N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249245	1	45	-1.0	-50.83	361.66	3.94	-46.89
O=C(NC1=CC=CC(Cl)=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249246	0	40	-1.0	-43.80	334.93	4.43	-39.37
O=C(NC1=CC=CC(Cl)=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249246	1	40	-1.0	-43.85	334.98	4.43	-39.42
CCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249247	0	50	-1.0	-47.29	385.01	4.96	-42.33
CCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249247	1	50	-1.0	-47.30	385.06	4.96	-42.34
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1N1C=NN=N1	REAL300020249248	0	48	-1.0	-52.41	373.04	4.96	-47.45
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1N1C=NN=N1	REAL300020249248	1	48	-1.0	-52.41	372.99	4.96	-47.45
O=C(NC1=CC=CC=C1N1CCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249249	0	52	-1.0	-46.63	384.93	4.81	-41.82
O=C(NC1=CC=CC=C1N1CCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249249	1	52	-1.0	-46.62	384.98	4.83	-41.79
CN(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249250	0	50	-1.0	-46.06	385.62	3.66	-42.40
CN(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249250	1	50	-1.0	-46.06	385.69	3.65	-42.41
CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249251	0	47	-1.0	-46.55	369.52	2.11	-44.44
CNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249251	1	47	-1.0	-46.55	369.57	2.12	-44.43
CN1C(=O)C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1=O	REAL300020249252	0	47	-1.0	-45.18	378.41	3.05	-42.13
CN1C(=O)C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1=O	REAL300020249252	1	47	-1.0	-45.19	378.46	3.07	-42.12
O=C(NC1=CC=C2OCCCOC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249253	0	49	-1.0	-46.62	375.71	3.78	-42.84
O=C(NC1=CC=C2OCCCOC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249253	1	49	-1.0	-46.59	375.76	3.79	-42.80
COCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249254	0	47	-1.0	-43.93	362.91	3.89	-40.04
COCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249254	1	47	-1.0	-43.90	362.97	3.89	-40.01
O=C(NC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249255	0	56	0.0	-58.12	415.78	6.83	-51.29
O=C(NC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249255	1	56	0.0	-58.13	415.84	6.84	-51.29
CC[NH+](CC)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249256	0	58	0.0	-56.65	421.47	6.77	-49.88
CC[NH+](CC)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249256	1	58	0.0	-56.66	421.51	6.77	-49.89
C[NH+](C)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249257	0	52	0.0	-59.72	391.53	5.73	-53.99
C[NH+](C)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249257	1	52	0.0	-59.71	391.58	5.74	-53.97
O=C(NC1=CC=CN=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249258	0	39	-1.0	-43.77	307.26	2.03	-41.74
O=C(NC1=CC=CN=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249258	1	39	-1.0	-43.76	307.21	2.01	-41.75
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249259	0	43	-1.0	-42.83	340.25	0.53	-42.30
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249259	1	43	-1.0	-42.85	340.20	0.52	-42.33
CC(C)N1N=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C21	REAL300020249260	0	51	-1.0	-45.36	399.46	4.52	-40.84
CC(C)N1N=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C21	REAL300020249260	1	51	-1.0	-45.39	399.41	4.51	-40.88
O=C(NC1=CC=C(N2CCCC2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249261	0	51	-1.0	-43.69	387.10	3.73	-39.96
O=C(NC1=CC=C(N2CCCC2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249261	1	51	-1.0	-43.69	387.15	3.75	-39.94
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249262	0	47	-1.0	-44.83	361.59	3.64	-41.19
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249262	1	47	-1.0	-44.86	361.65	3.66	-41.20
O=C(NC1=CC2=CC=CC=C2N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249263	0	45	-1.0	-45.59	354.33	4.19	-41.40
O=C(NC1=CC2=CC=CC=C2N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249263	1	45	-1.0	-45.57	354.27	4.18	-41.39
CC1=NN(C)C2=NC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020249264	0	48	-1.0	-45.54	378.75	3.53	-42.01
CC1=NN(C)C2=NC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020249264	1	48	-1.0	-45.51	378.80	3.54	-41.97
O=C(NC1=CC=C(N2C=NC=N2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249265	0	45	-1.0	-44.52	363.57	5.69	-38.83
O=C(NC1=CC=C(N2C=NC=N2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249265	1	45	-1.0	-44.51	363.51	5.67	-38.84
O=C(NC1=CC=C(N2C=CC=N2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249266	0	46	-1.0	-45.98	367.95	4.30	-41.68
O=C(NC1=CC=C(N2C=CC=N2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249266	1	46	-1.0	-45.94	367.89	4.29	-41.65
O=C(NC1=CC=C(N2N=CC=N2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249267	0	45	-1.0	-47.72	362.78	2.84	-44.88
O=C(NC1=CC=C(N2N=CC=N2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249267	1	45	-1.0	-47.71	362.72	2.83	-44.88
COC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249268	0	43	-1.0	-45.98	339.29	0.69	-45.29
COC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249268	1	43	-1.0	-45.96	339.23	0.68	-45.28
NC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249269	0	44	-1.0	-57.91	352.26	-1.31	-59.22
NC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249269	1	44	-1.0	-57.86	352.21	-1.31	-59.17
COCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249270	0	50	-1.0	-45.25	394.93	0.70	-44.55
COCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249270	1	50	-1.0	-45.24	394.88	0.69	-44.55
CC(C)OC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249271	0	49	-1.0	-47.27	380.23	2.58	-44.69
CC(C)OC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249271	1	49	-1.0	-47.22	380.17	2.57	-44.65
N#CCCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249272	0	51	-1.0	-55.48	406.87	5.37	-50.11
N#CCCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249272	1	51	-1.0	-55.47	406.92	5.38	-50.09
COCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249273	0	51	-1.0	-51.55	398.14	3.32	-48.23
COCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249273	1	51	-1.0	-51.59	398.20	3.33	-48.26
CCOC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249274	0	50	-1.0	-47.51	384.92	4.83	-42.68
CCOC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249274	1	50	-1.0	-47.50	384.97	4.84	-42.66
CCCOC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249275	0	53	-1.0	-47.25	406.42	5.63	-41.62
CCCOC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249275	1	53	-1.0	-47.26	406.47	5.64	-41.62
CS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249276	0	45	-1.0	-50.75	369.80	-0.54	-51.29
CS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249276	1	45	-1.0	-50.74	369.75	-0.55	-51.29
COC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249277	0	48	-1.0	-49.66	380.39	2.03	-47.63
COC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249277	1	48	-1.0	-49.64	380.45	2.05	-47.59
COC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249278	0	48	-1.0	-49.74	380.41	2.04	-47.70
COC(=O)NC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249278	1	48	-1.0	-49.72	380.47	2.06	-47.66
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CC2CCCN2C2=CC=CC=C21	REAL300020249279	0	53	-1.0	-51.02	394.13	6.18	-44.84
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CC2CCCN2C2=CC=CC=C21	REAL300020249279	1	53	-1.0	-51.06	394.16	6.20	-44.86
CC1=NC(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020249280	0	48	-1.0	-52.65	379.42	3.67	-48.98
CC1=NC(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020249280	1	48	-1.0	-52.67	379.37	3.66	-49.01
O=C(NC1=CC=C(OC(F)F)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249281	0	44	-1.0	-44.99	358.65	3.47	-41.52
O=C(NC1=CC=C(OC(F)F)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249281	1	44	-1.0	-45.01	358.70	3.49	-41.52
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CCCC2=CC=C(F)C=C21	REAL300020249282	0	47	-1.0	-59.43	361.48	6.42	-53.01
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCCC2=CC=C(F)C=C21	REAL300020249282	1	47	-1.0	-59.49	361.53	6.44	-53.05
O=C(NC1=CC=CC=C1OC1CCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249283	0	54	-1.0	-47.48	406.22	6.13	-41.35
O=C(NC1=CC=CC=C1OC1CCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249283	1	54	-1.0	-47.45	406.27	6.13	-41.32
O=C(NC1=CC=C(N2C=CN=C2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249284	0	46	-1.0	-45.18	365.37	5.46	-39.72
O=C(NC1=CC=C(N2C=CN=C2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249284	1	46	-1.0	-45.18	365.42	5.47	-39.71
CC1=NC=CN1C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249285	0	49	-1.0	-44.89	383.31	5.95	-38.94
CC1=NC=CN1C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249285	1	49	-1.0	-44.90	383.36	5.96	-38.94
NC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249286	0	44	-1.0	-55.78	353.27	0.73	-55.05
NC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249286	1	44	-1.0	-55.78	353.32	0.73	-55.05
COCCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249287	0	47	-1.0	-45.72	370.45	1.50	-44.22
COCCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249287	1	47	-1.0	-45.71	370.40	1.50	-44.21
CC1=NN=C(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020249288	0	48	-1.0	-54.98	381.19	1.34	-53.64
CC1=NN=C(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020249288	1	48	-1.0	-54.96	381.25	1.35	-53.61
CCN(CC)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249289	0	53	-1.0	-44.79	405.43	5.56	-39.23
CCN(CC)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249289	1	53	-1.0	-44.79	405.48	5.58	-39.21
CCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249290	0	50	-1.0	-46.03	391.00	2.94	-43.09
CCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249290	1	50	-1.0	-46.05	391.06	2.95	-43.10
CC(C)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249291	0	53	-1.0	-47.33	405.22	5.48	-41.85
CC(C)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249291	1	53	-1.0	-47.33	405.26	5.48	-41.85
O=C(NC1=CC=CN=C1N1C=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249292	0	46	-1.0	-51.26	365.01	4.87	-46.39
O=C(NC1=CC=CN=C1N1C=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249292	1	46	-1.0	-51.28	364.96	4.86	-46.42
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020249293	0	47	-1.0	-43.21	380.54	4.61	-38.60
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020249293	1	47	-1.0	-43.20	380.59	4.62	-38.58
CCOC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249294	0	46	-1.0	-47.12	360.09	1.65	-45.47
CCOC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249294	1	46	-1.0	-47.16	360.03	1.65	-45.51
CCOC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC	REAL300020249295	0	51	-1.0	-45.63	393.75	3.95	-41.68
CCOC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC	REAL300020249295	1	51	-1.0	-45.65	393.81	3.97	-41.68
CCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249296	0	47	-1.0	-44.04	369.93	4.24	-39.80
CCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249296	1	47	-1.0	-44.08	369.98	4.24	-39.84
CC1=CC(OC(C)C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249297	0	53	-1.0	-44.06	401.51	5.62	-38.44
CC1=CC(OC(C)C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249297	1	53	-1.0	-44.03	401.57	5.62	-38.41
CC(C)NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249298	0	53	-1.0	-46.06	411.63	3.76	-42.30
CC(C)NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249298	1	53	-1.0	-46.02	411.68	3.79	-42.23
CCCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249299	0	53	-1.0	-45.78	412.50	3.70	-42.08
CCCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249299	1	53	-1.0	-45.79	412.56	3.72	-42.07
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020249300	0	47	-1.0	-43.52	370.75	4.12	-39.40
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020249300	1	47	-1.0	-43.53	370.80	4.13	-39.40
COC1=C(F)C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020249301	0	44	-1.0	-41.91	359.05	3.35	-38.56
COC1=C(F)C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020249301	1	44	-1.0	-41.87	359.10	3.37	-38.50
O=C(NC1=CC2=NC=CN=C2C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249302	0	44	-1.0	-47.12	349.22	2.29	-44.83
O=C(NC1=CC2=NC=CN=C2C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249302	1	44	-1.0	-47.11	349.16	2.28	-44.83
O=C(NC1=CC=CC(CN2C=NC=N2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249303	0	49	-1.0	-50.95	390.86	6.86	-44.09
O=C(NC1=CC=CC(CN2C=NC=N2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249303	1	49	-1.0	-50.93	390.80	6.85	-44.08
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249304	0	49	-1.0	-43.35	381.44	2.37	-40.98
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249304	1	49	-1.0	-43.31	381.39	2.36	-40.95
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020249305	0	53	-1.0	-43.96	403.47	5.76	-38.20
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020249305	1	53	-1.0	-43.94	403.52	5.75	-38.19
CCCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249306	0	53	-1.0	-47.25	406.50	5.74	-41.51
CCCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249306	1	53	-1.0	-47.23	406.55	5.74	-41.49
CC(C)(C)C1=NN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249307	0	46	-2.0	-107.00	374.92	2.88	-104.12
CC(C)(C)C1=NN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249307	1	46	-2.0	-106.98	374.87	2.86	-104.12
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020249308	0	47	-1.0	-45.03	362.73	3.87	-41.16
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020249308	1	47	-1.0	-44.97	362.78	3.88	-41.09
CCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020249309	0	53	-1.0	-47.15	408.51	3.85	-43.30
CCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020249309	1	53	-1.0	-47.15	408.57	3.86	-43.29
CC(C)COC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249310	0	53	-1.0	-47.35	405.11	5.65	-41.70
CC(C)COC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249310	1	53	-1.0	-47.37	405.16	5.66	-41.71
O=C(NC1=CC=CC(C2=CN=CO2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249311	0	46	-1.0	-48.66	367.50	2.26	-46.40
O=C(NC1=CC=CC(C2=CN=CO2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249311	1	46	-1.0	-48.69	367.45	2.25	-46.44
O=C(NC1=CC=CC(N2C=CN=C2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249312	0	47	-1.0	-47.41	368.80	6.22	-41.19
O=C(NC1=CC=CC(N2C=CN=C2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249312	1	47	-1.0	-47.38	368.85	6.23	-41.15
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020249313	0	50	-1.0	-44.21	382.95	4.88	-39.33
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020249313	1	50	-1.0	-44.25	383.00	4.89	-39.36
C=CCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249314	0	51	-1.0	-45.71	403.81	3.49	-42.22
C=CCNC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249314	1	51	-1.0	-45.70	403.87	3.51	-42.19
CCCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249315	0	53	-1.0	-48.28	407.51	5.63	-42.65
CCCCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249315	1	53	-1.0	-48.27	407.57	5.64	-42.63
O=C(NC1=CC=C2NC(=O)COC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249316	0	46	-1.0	-47.47	363.02	0.99	-46.48
O=C(NC1=CC=C2NC(=O)COC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249316	1	46	-1.0	-47.47	363.07	1.01	-46.46
CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249317	0	47	-1.0	-48.52	364.51	4.05	-44.47
CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249317	1	47	-1.0	-48.52	364.57	4.06	-44.46
O=C(NC1=CC=C(N2CCOC2=O)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249318	0	49	-1.0	-50.68	381.84	3.89	-46.79
O=C(NC1=CC=C(N2CCOC2=O)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249318	1	49	-1.0	-50.71	381.89	3.90	-46.81
O=C(NC1=CC=CC(C2=NC=CS2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249319	0	46	-1.0	-47.88	377.62	4.65	-43.23
O=C(NC1=CC=CC(C2=NC=CS2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249319	1	46	-1.0	-47.85	377.57	4.65	-43.20
CC1=NOC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020249320	0	48	-1.0	-49.42	385.67	3.20	-46.22
CC1=NOC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020249320	1	48	-1.0	-49.40	385.62	3.18	-46.22
CC(C)OCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249321	0	53	-1.0	-45.66	410.34	5.27	-40.39
CC(C)OCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249321	1	53	-1.0	-45.63	410.39	5.28	-40.35
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CN=C12	REAL300020249322	0	49	-1.0	-47.80	380.72	3.71	-44.09
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CN=C12	REAL300020249322	1	49	-1.0	-47.75	380.67	3.71	-44.04
COCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249323	0	51	-1.0	-49.90	397.13	3.43	-46.47
COCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249323	1	51	-1.0	-49.89	397.18	3.43	-46.46
CC(C)OCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249324	0	53	-1.0	-47.72	410.36	5.28	-42.44
CC(C)OCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249324	1	53	-1.0	-47.69	410.41	5.29	-42.40
CCOC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249325	0	48	-1.0	-47.47	383.42	4.60	-42.87
CCOC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249325	1	48	-1.0	-47.52	383.47	4.60	-42.92
C=CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249326	0	48	-1.0	-48.59	377.42	4.63	-43.96
C=CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249326	1	48	-1.0	-48.58	377.48	4.65	-43.93
CCC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249327	0	53	-1.0	-44.67	403.17	5.47	-39.20
CCC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249327	1	53	-1.0	-44.72	403.23	5.48	-39.24
CN(C)C(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249328	0	53	-1.0	-47.17	407.48	4.94	-42.23
CN(C)C(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249328	1	53	-1.0	-47.17	407.53	4.94	-42.23
COC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249329	0	44	-1.0	-44.34	361.61	3.89	-40.45
COC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249329	1	44	-1.0	-44.31	361.67	3.89	-40.42
O=C(NC1=CC=C2CCC3=C2C1=CC=C3)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249330	0	50	-1.0	-47.96	380.76	7.33	-40.63
O=C(NC1=CC=C2CCC3=C2C1=CC=C3)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249330	1	50	-1.0	-48.01	380.81	7.33	-40.68
O=C(NC1=CC=CC(N2CCCCC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249331	0	55	-1.0	-44.30	405.22	5.04	-39.26
O=C(NC1=CC=CC(N2CCCCC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249331	1	55	-1.0	-44.30	405.27	5.04	-39.26
CN1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020249332	0	49	-1.0	-44.86	373.63	2.56	-42.30
CN1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020249332	1	49	-1.0	-44.85	373.69	2.58	-42.27
C[N@@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020249332	1	50	0.0	-70.79	376.91	5.31	-65.48
C[N@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020249332	1	50	0.0	-67.54	376.90	5.31	-62.23
C[N@@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020249332	1	50	0.0	-70.79	376.96	5.33	-65.46
C[N@H+]1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020249332	1	50	0.0	-67.56	376.96	5.33	-62.23
CC(C)OC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249333	0	51	-1.0	-47.15	401.18	5.16	-41.99
CC(C)OC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249333	1	51	-1.0	-47.17	401.23	5.16	-42.01
CCOC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249334	0	47	-1.0	-44.33	383.48	4.87	-39.46
CCOC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249334	1	47	-1.0	-44.34	383.53	4.87	-39.47
O=C(NC1=CC=CC(COCC2CC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249335	0	54	-1.0	-48.06	421.76	6.10	-41.96
O=C(NC1=CC=CC(COCC2CC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249335	1	54	-1.0	-48.13	421.82	6.12	-42.01
COC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249336	0	44	-1.0	-47.09	357.30	3.75	-43.34
COC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249336	1	44	-1.0	-47.07	357.34	3.76	-43.31
CSC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249337	0	44	-1.0	-46.77	367.82	5.49	-41.28
CSC1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249337	1	44	-1.0	-46.71	367.87	5.49	-41.22
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020249338	0	50	-1.0	-45.05	383.68	4.75	-40.30
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020249338	1	50	-1.0	-45.08	383.73	4.76	-40.32
CC1=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=NO1	REAL300020249339	0	48	-1.0	-50.11	385.41	3.12	-46.99
CC1=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=NO1	REAL300020249339	1	48	-1.0	-50.10	385.35	3.11	-46.99
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249340	0	47	-1.0	-52.92	375.95	5.20	-47.72
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249340	1	47	-1.0	-52.91	375.89	5.18	-47.73
CC1(C)OC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2O1	REAL300020249341	0	49	-1.0	-46.77	381.35	4.11	-42.66
CC1(C)OC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2O1	REAL300020249341	1	49	-1.0	-46.79	381.41	4.12	-42.67
O=C(NC1=CC=C(C2=CSN=N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249342	0	45	-1.0	-48.09	370.04	3.81	-44.28
O=C(NC1=CC=C(C2=CSN=N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249342	1	45	-1.0	-48.11	370.10	3.82	-44.29
O=C(NC1=CC=CC(F)=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249343	0	40	-1.0	-44.27	325.04	3.99	-40.28
O=C(NC1=CC=CC(F)=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249343	1	40	-1.0	-44.28	325.09	3.99	-40.29
CN1C(=O)N(C)C2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020249344	0	50	-1.0	-49.13	392.55	4.68	-44.45
CN1C(=O)N(C)C2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020249344	1	50	-1.0	-49.11	392.61	4.70	-44.41
CCC1=CC=CC2=C1N(C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1)CC2	REAL300020249345	0	50	-1.0	-44.75	362.29	6.59	-38.16
CCC1=CC=CC2=C1N(C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1)CC2	REAL300020249345	1	50	-1.0	-44.72	362.33	6.60	-38.12
CC1=CC=C2CCN(C(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020249346	0	47	-1.0	-45.12	354.67	6.60	-38.52
CC1=CC=C2CCN(C(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020249346	1	47	-1.0	-45.12	354.69	6.60	-38.52
CCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249347	0	50	-1.0	-47.29	385.01	4.96	-42.33
CCCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249347	1	50	-1.0	-47.30	385.06	4.96	-42.34
CC1=CC=C(C(N)=O)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249348	0	47	-1.0	-52.69	365.16	1.49	-51.20
CC1=CC=C(C(N)=O)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249348	1	47	-1.0	-52.68	365.21	1.50	-51.18
O=C(NC1=CC=C(N2N=CC=N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249349	0	46	-1.0	-47.05	367.06	3.70	-43.35
O=C(NC1=CC=C(N2N=CC=N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249349	1	46	-1.0	-47.08	367.00	3.69	-43.39
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=N1	REAL300020249350	0	47	-1.0	-44.37	371.43	-0.58	-44.95
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=N1	REAL300020249350	1	47	-1.0	-44.40	371.38	-0.59	-44.99
COC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249351	0	45	-1.0	-47.19	361.56	3.66	-43.53
COC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249351	1	45	-1.0	-47.16	361.62	3.67	-43.49
COC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249352	0	43	-1.0	-47.78	336.89	1.42	-46.36
COC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249352	1	43	-1.0	-47.82	336.95	1.42	-46.40
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020249353	0	50	-1.0	-44.18	388.04	4.78	-39.40
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020249353	1	50	-1.0	-44.13	388.09	4.78	-39.35
CC1=C(Cl)C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020249354	0	43	-1.0	-41.50	362.62	5.36	-36.14
CC1=C(Cl)C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020249354	1	43	-1.0	-41.50	362.68	5.37	-36.13
CC(C)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249355	0	55	-1.0	-44.33	416.60	7.32	-37.01
CC(C)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249355	1	55	-1.0	-44.27	416.65	7.34	-36.93
O=C(NC1=CC=C2OCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249356	0	45	-1.0	-45.08	349.06	3.66	-41.42
O=C(NC1=CC=C2OCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249356	1	45	-1.0	-45.12	349.11	3.67	-41.45
COCCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC1=O	REAL300020249357	0	50	-1.0	-47.51	395.63	2.66	-44.85
COCCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC1=O	REAL300020249357	1	50	-1.0	-47.57	395.68	2.66	-44.91
CC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249358	0	50	-1.0	-52.63	380.07	4.03	-48.60
CC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249358	1	50	-1.0	-52.63	380.12	4.05	-48.58
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020249359	0	49	-1.0	-44.21	385.37	5.39	-38.82
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020249359	1	49	-1.0	-44.23	385.42	5.39	-38.84
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249360	0	45	-1.0	-44.63	366.55	4.89	-39.74
O=C(NC1=CC=C(Cl)C2=NC=CC=C12)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249360	1	45	-1.0	-44.55	366.50	4.87	-39.68
O=C(NC1=CC=C2N=CSC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249361	0	42	-1.0	-45.55	344.36	3.23	-42.32
O=C(NC1=CC=C2N=CSC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249361	1	42	-1.0	-45.57	344.31	3.22	-42.35
O=C(NC1=CC=CC=C1N1C=CN=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249362	0	46	-1.0	-60.75	359.93	4.26	-56.49
O=C(NC1=CC=CC=C1N1C=CN=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249362	1	46	-1.0	-60.73	359.88	4.26	-56.47
CCC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249363	0	50	-1.0	-52.33	389.85	3.52	-48.81
CCC(=O)NC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249363	1	50	-1.0	-52.38	389.90	3.53	-48.85
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020249364	0	51	-1.0	-45.84	393.44	3.97	-41.87
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020249364	1	51	-1.0	-45.85	393.49	3.99	-41.86
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CC2(CCC2)C2=C(F)C=CC=C21	REAL300020249365	0	51	-1.0	-53.33	385.50	7.35	-45.98
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CC2(CCC2)C2=C(F)C=CC=C21	REAL300020249365	1	51	-1.0	-53.33	385.55	7.36	-45.97
CC1=NN(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=C1	REAL300020249366	0	50	-1.0	-51.58	392.59	5.55	-46.03
CC1=NN(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=C1	REAL300020249366	1	50	-1.0	-51.56	392.65	5.56	-46.00
O=C(NC1=CC=CC(C(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249367	0	43	-1.0	-45.68	345.02	4.70	-40.98
O=C(NC1=CC=CC(C(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249367	1	43	-1.0	-45.68	345.07	4.72	-40.96
O=C(NC1=CC=C2SC=NC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249368	0	42	-1.0	-45.37	344.32	3.22	-42.15
O=C(NC1=CC=C2SC=NC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249368	1	42	-1.0	-45.36	344.26	3.21	-42.15
O=C(NC1=CC=CC(C2=CC=CS2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249369	0	47	-1.0	-48.06	379.62	6.39	-41.67
O=C(NC1=CC=CC(C2=CC=CS2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249369	1	47	-1.0	-48.06	379.67	6.41	-41.65
O=C(NC1=CC=C(Cl)C(C(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249370	0	43	-1.0	-43.47	357.40	5.10	-38.37
O=C(NC1=CC=C(Cl)C(C(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249370	1	43	-1.0	-43.47	357.45	5.12	-38.35
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020249371	0	44	-1.0	-47.51	352.13	0.70	-46.81
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020249371	1	44	-1.0	-47.44	352.19	0.71	-46.73
O=C(NC1=CC=C(OC2CCCC2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249372	0	53	-1.0	-42.75	406.07	3.70	-39.05
O=C(NC1=CC=C(OC2CCCC2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249372	1	53	-1.0	-42.74	406.01	3.69	-39.05
O=C(NC1=CC=C(N2C=CN=N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249373	0	46	-1.0	-46.55	365.55	3.73	-42.82
O=C(NC1=CC=C(N2C=CN=N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249373	1	46	-1.0	-46.57	365.50	3.71	-42.86
O=C(NC1=CC=C(C2=NOC=N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249374	0	45	-1.0	-48.18	363.45	2.42	-45.76
O=C(NC1=CC=C(C2=NOC=N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249374	1	45	-1.0	-48.15	363.40	2.40	-45.75
CN1C=CC2=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020249375	0	47	-1.0	-48.95	366.06	5.51	-43.44
CN1C=CC2=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020249375	1	47	-1.0	-49.00	366.12	5.53	-43.47
NC(=O)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249376	0	50	-1.0	-48.77	393.71	2.10	-46.67
NC(=O)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249376	1	50	-1.0	-48.78	393.77	2.11	-46.67
O=C(NC1=CC(C(F)(F)F)=CNC1=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249377	0	43	-1.0	-52.33	357.88	2.79	-49.54
O=C(NC1=CC(C(F)(F)F)=CNC1=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249377	1	43	-1.0	-52.37	357.92	2.80	-49.57
O=C(NC1=CC=CC(N2CCCC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249378	0	52	-1.0	-46.12	390.87	4.27	-41.85
O=C(NC1=CC=CC(N2CCCC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249378	1	52	-1.0	-46.15	390.92	4.27	-41.88
CCOCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249379	0	50	-1.0	-47.84	390.09	4.52	-43.32
CCOCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249379	1	50	-1.0	-47.81	390.14	4.54	-43.27
COC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020249380	0	49	-1.0	-45.43	386.33	2.73	-42.70
COC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020249380	1	49	-1.0	-45.45	386.28	2.72	-42.73
CN1C(=O)OC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020249381	0	46	-1.0	-47.56	366.97	3.81	-43.75
CN1C(=O)OC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020249381	1	46	-1.0	-47.54	367.02	3.81	-43.73
CCCN1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C1	REAL300020249382	0	55	-1.0	-45.84	412.70	4.10	-41.74
CCC[N@@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C1	REAL300020249382	1	56	0.0	-58.30	417.02	6.80	-51.50
CCC[N@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C1	REAL300020249382	1	56	0.0	-64.94	415.91	6.73	-58.21
CCCN1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C1	REAL300020249382	1	55	-1.0	-45.90	412.75	4.10	-41.80
CCC[N@@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C1	REAL300020249382	1	56	0.0	-58.36	417.07	6.82	-51.54
CCC[N@H+]1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C1	REAL300020249382	1	56	0.0	-64.99	415.96	6.73	-58.26
N#CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020249383	0	41	-1.0	-43.04	339.63	4.27	-38.77
N#CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020249383	1	41	-1.0	-43.06	339.68	4.28	-38.78
C[NH+](C)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249384	0	55	0.0	-70.48	413.98	6.57	-63.91
C[NH+](C)CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249384	1	55	0.0	-70.50	414.04	6.57	-63.93
CSCCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249385	0	50	-1.0	-44.38	400.77	6.49	-37.89
CSCCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249385	1	50	-1.0	-44.37	400.82	6.51	-37.86
CC(C)(C)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020249386	0	48	-1.0	-44.34	370.37	4.86	-39.48
CC(C)(C)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020249386	1	48	-1.0	-44.83	370.62	4.89	-39.94
CSC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249387	0	43	-1.0	-42.59	351.54	3.23	-39.36
CSC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249387	1	43	-1.0	-42.56	351.49	3.22	-39.34
C=C(C)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249388	0	51	-1.0	-49.21	396.50	5.44	-43.77
C=C(C)COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249388	1	51	-1.0	-49.25	396.56	5.45	-43.80
O=C(NC1=CC(F)=CC=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249389	0	40	-1.0	-44.23	334.22	4.52	-39.71
O=C(NC1=CC(F)=CC=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249389	1	40	-1.0	-44.23	334.27	4.53	-39.70
CSCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249390	0	47	-1.0	-45.69	379.27	5.70	-39.99
CSCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249390	1	47	-1.0	-45.66	379.32	5.72	-39.94
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020249391	0	47	-1.0	-44.38	360.12	4.02	-40.36
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020249391	1	47	-1.0	-44.38	360.17	4.01	-40.37
CC1=NC2=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2C=C1	REAL300020249392	0	48	-1.0	-51.61	374.99	5.00	-46.61
CC1=NC2=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2C=C1	REAL300020249392	1	48	-1.0	-51.62	375.04	5.01	-46.61
O=C(NC1=CC=CC(SC(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249393	0	44	-1.0	-46.88	362.98	5.09	-41.79
O=C(NC1=CC=CC(SC(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249393	1	44	-1.0	-46.91	363.03	5.10	-41.81
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020249394	0	43	-1.0	-42.89	339.88	4.53	-38.36
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020249394	1	43	-1.0	-42.87	339.94	4.55	-38.32
CC(C)N(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249395	0	54	-1.0	-45.27	401.98	5.67	-39.60
CC(C)N(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249395	1	54	-1.0	-45.24	402.04	5.69	-39.55
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020249396	0	49	-1.0	-43.98	383.75	5.01	-38.97
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020249396	1	49	-1.0	-44.00	383.80	5.03	-38.97
O=C(NC1=CC=C2NC(=O)CCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249397	0	51	-1.0	-46.89	388.65	3.93	-42.96
O=C(NC1=CC=C2NC(=O)CCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249397	1	51	-1.0	-46.88	388.70	3.95	-42.93
CSCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249398	0	47	-1.0	-47.47	379.29	5.71	-41.76
CSCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249398	1	47	-1.0	-47.48	379.34	5.73	-41.75
CC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249399	0	42	-1.0	-44.56	325.70	2.90	-41.66
CC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249399	1	42	-1.0	-44.55	325.75	2.90	-41.65
COC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020249400	0	48	-1.0	-45.25	377.46	3.15	-42.10
COC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020249400	1	48	-1.0	-45.34	377.51	3.15	-42.19
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249401	0	46	-1.0	-44.07	367.85	4.48	-39.59
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249401	1	46	-1.0	-44.10	367.91	4.50	-39.60
CCCCN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249402	0	57	-1.0	-45.72	429.48	6.72	-39.00
CCCCN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249402	1	57	-1.0	-45.75	429.52	6.73	-39.02
CN1C(=O)CCC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020249403	0	51	-1.0	-47.23	388.82	4.68	-42.55
CN1C(=O)CCC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020249403	1	51	-1.0	-47.23	388.88	4.68	-42.55
CCOC1=CC=C(OC)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249404	0	51	-1.0	-50.07	392.99	3.45	-46.62
CCOC1=CC=C(OC)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249404	1	51	-1.0	-50.15	393.04	3.46	-46.69
O=C(NC1=C(F)C=CC=C1N1C=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249405	0	47	-1.0	-55.48	373.53	5.48	-50.00
O=C(NC1=C(F)C=CC=C1N1C=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249405	1	47	-1.0	-55.51	373.45	5.47	-50.04
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(N)=O	REAL300020249406	0	47	-1.0	-46.76	363.20	1.31	-45.45
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(N)=O	REAL300020249406	1	47	-1.0	-46.78	363.25	1.32	-45.46
O=C(NC1=CC(F)=C(F)C=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249407	0	40	-1.0	-41.55	331.47	4.05	-37.50
O=C(NC1=CC(F)=C(F)C=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249407	1	40	-1.0	-41.57	331.52	4.05	-37.52
O=C(NC1=CC=C(NC(=O)C2CC2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249408	0	50	-1.0	-50.73	396.50	3.97	-46.76
O=C(NC1=CC=C(NC(=O)C2CC2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249408	1	50	-1.0	-50.75	396.45	3.95	-46.80
O=C(NC1=CC=C(OCC2CC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249409	0	51	-1.0	-43.77	395.35	5.65	-38.12
O=C(NC1=CC=C(OCC2CC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249409	1	51	-1.0	-43.78	395.40	5.65	-38.13
CC(=O)NCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249410	0	50	-1.0	-47.57	395.34	2.83	-44.74
CC(=O)NCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249410	1	50	-1.0	-47.62	395.39	2.85	-44.77
CC(C)COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249411	0	52	-1.0	-42.98	402.90	2.93	-40.05
CC(C)COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249411	1	52	-1.0	-42.91	402.85	2.91	-40.00
N#CCCSC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249412	0	48	-1.0	-49.18	393.40	6.35	-42.83
N#CCCSC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249412	1	48	-1.0	-49.19	393.46	6.36	-42.83
C#CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249413	0	46	-1.0	-50.57	370.30	4.60	-45.97
C#CCOC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249413	1	46	-1.0	-50.58	370.36	4.61	-45.97
C#CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249414	0	46	-1.0	-45.54	370.29	4.58	-40.96
C#CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249414	1	46	-1.0	-45.50	370.34	4.60	-40.90
CC(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249415	0	46	-1.0	-43.25	355.42	4.12	-39.13
CC(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249415	1	46	-1.0	-43.24	355.37	4.12	-39.12
CCCN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020249416	0	53	-1.0	-47.97	409.41	7.20	-40.77
CCCN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020249416	1	53	-1.0	-47.95	409.47	7.20	-40.75
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C#N	REAL300020249417	0	44	-1.0	-47.46	351.32	4.78	-42.68
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C#N	REAL300020249417	1	44	-1.0	-47.47	351.37	4.79	-42.68
O=C(NC1=CC=C2NC(=O)CC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249418	0	45	-1.0	-46.30	354.30	2.23	-44.07
O=C(NC1=CC=C2NC(=O)CC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249418	1	45	-1.0	-46.29	354.35	2.25	-44.04
CC1CN(C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020249419	0	48	-1.0	-49.20	367.85	5.43	-43.77
CC1CN(C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020249419	1	48	-1.0	-49.25	367.89	5.44	-43.81
CCSC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249420	0	47	-1.0	-48.20	374.84	5.69	-42.51
CCSC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249420	1	47	-1.0	-48.24	374.89	5.70	-42.54
O=C(NC1=NN(C2=CC=NC=C2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249421	0	46	-1.0	-48.98	366.13	4.16	-44.82
O=C(NC1=NN(C2=CC=NC=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249421	1	46	-1.0	-49.03	366.19	4.16	-44.87
O=C(NC1=NN(C2=CC=[NH+]C=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249421	1	47	0.0	-71.21	369.66	4.68	-66.53
CC(C)(C)OC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249422	0	53	-1.0	-48.09	393.18	5.00	-43.09
CC(C)(C)OC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249422	1	53	-1.0	-48.06	393.22	5.02	-43.04
CC1=NN=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)O1	REAL300020249423	0	48	-1.0	-54.25	385.19	0.42	-53.83
CC1=NN=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)O1	REAL300020249423	1	48	-1.0	-54.26	385.25	0.42	-53.84
O=C(NC1=CC=CC=C1CC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249424	0	46	-1.0	-45.97	368.76	6.06	-39.91
O=C(NC1=CC=CC=C1CC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249424	1	46	-1.0	-46.05	368.81	6.06	-39.99
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020249425	0	53	-1.0	-44.79	402.48	5.43	-39.36
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020249425	1	53	-1.0	-44.82	402.53	5.44	-39.38
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(=O)N(C)C	REAL300020249426	0	53	-1.0	-49.30	404.31	4.36	-44.94
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(=O)N(C)C	REAL300020249426	1	53	-1.0	-49.34	404.36	4.36	-44.98
O=C(NC1=CC=CC=C1OCC1CC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249427	0	51	-1.0	-47.63	395.19	5.75	-41.88
O=C(NC1=CC=CC=C1OCC1CC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249427	1	51	-1.0	-47.64	395.24	5.75	-41.89
NS(=O)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249428	0	45	-1.0	-52.39	367.33	-1.22	-53.61
NS(=O)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249428	1	45	-1.0	-52.35	367.38	-1.20	-53.55
CC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249429	0	43	-1.0	-43.91	335.43	3.09	-40.82
CC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249429	1	43	-1.0	-43.91	335.48	3.10	-40.81
O=C(NC1=CC2=CNN=C2C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249430	0	43	-1.0	-49.89	339.39	2.54	-47.35
O=C(NC1=CC2=CNN=C2C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249430	1	43	-1.0	-49.88	339.46	2.55	-47.33
CN1N=C(C(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249431	0	52	-1.0	-43.91	395.57	4.98	-38.93
CN1N=C(C(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249431	1	52	-1.0	-43.93	395.52	4.98	-38.95
O=C(NC1=CC=C(Cl)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249432	0	39	-1.0	-41.84	324.12	2.44	-39.40
O=C(NC1=CC=C(Cl)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249432	1	39	-1.0	-41.89	324.07	2.44	-39.45
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020249433	0	46	-1.0	-45.30	372.22	4.52	-40.78
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020249433	1	46	-1.0	-45.29	372.28	4.54	-40.75
O=C(NC1=CC=C2NC=CC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249434	0	44	-1.0	-47.56	343.75	3.79	-43.77
O=C(NC1=CC=C2NC=CC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249434	1	44	-1.0	-47.59	343.80	3.81	-43.78
CC1=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1	REAL300020249435	0	47	-1.0	-47.07	366.53	4.43	-42.64
CC1=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1	REAL300020249435	1	47	-1.0	-47.10	366.58	4.44	-42.66
O=C(NC1=C2C=CNC2=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249436	0	44	-1.0	-49.22	344.39	3.87	-45.35
O=C(NC1=C2C=CNC2=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249436	1	44	-1.0	-49.21	344.44	3.88	-45.33
CC1=NOC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249437	0	42	-1.0	-43.32	329.06	2.56	-40.76
CC1=NOC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249437	1	42	-1.0	-43.33	329.12	2.57	-40.76
O=C(NC1=CC=CC(N2C=CC=C2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249438	0	48	-1.0	-45.66	373.73	6.62	-39.04
O=C(NC1=CC=CC(N2C=CC=C2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249438	1	48	-1.0	-45.69	373.78	6.63	-39.06
CC1=NN(C(C)(C)C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249439	0	52	-1.0	-44.24	389.27	5.32	-38.92
CC1=NN(C(C)(C)C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249439	1	52	-1.0	-44.23	389.33	5.33	-38.90
CCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC1=O	REAL300020249440	0	46	-1.0	-48.44	362.99	3.57	-44.87
CCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC1=O	REAL300020249440	1	46	-1.0	-48.41	363.04	3.57	-44.84
CCC1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020249441	0	48	-1.0	-47.26	378.02	2.19	-45.07
CCC1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020249441	1	48	-1.0	-47.28	378.07	2.20	-45.08
CC(C)C1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020249442	0	51	-1.0	-47.27	398.86	2.86	-44.41
CC(C)C1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020249442	1	51	-1.0	-47.27	398.91	2.87	-44.40
CC1=CC=CC=C1C1=NOC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249443	0	48	-2.0	-110.40	382.82	4.50	-105.90
CC1=CC=CC=C1C1=NOC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249443	1	48	-2.0	-110.40	382.87	4.52	-105.88
O=C(NC1=CC=C(N2C=NC=N2)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249444	0	46	-1.0	-53.28	370.89	6.52	-46.76
O=C(NC1=CC=C(N2C=NC=N2)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249444	1	46	-1.0	-53.32	370.83	6.50	-46.82
CCN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020249445	0	49	-1.0	-47.44	383.28	4.59	-42.85
CCN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020249445	1	49	-1.0	-47.41	383.22	4.58	-42.83
CCCN1C=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020249446	0	53	-1.0	-47.53	409.52	7.19	-40.34
CCCN1C=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020249446	1	53	-1.0	-47.55	409.58	7.21	-40.34
O=C(NC1=CC=CN=C1N1C=NC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249447	0	45	-1.0	-50.95	358.59	6.32	-44.63
O=C(NC1=CC=CN=C1N1C=NC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249447	1	45	-1.0	-50.97	358.53	6.31	-44.66
CC1=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=NN1	REAL300020249448	0	49	-1.0	-51.26	389.99	4.56	-46.70
CC1=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=NN1	REAL300020249448	1	49	-1.0	-51.30	390.04	4.57	-46.73
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249449	0	49	-1.0	-53.45	394.05	8.82	-44.63
O=C(NC1=NN(CC2=CC=CC=C2)C=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249449	1	49	-1.0	-53.44	394.00	8.81	-44.63
CC(=O)NC1=C(C)C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249450	0	53	-1.0	-51.20	403.14	4.21	-46.99
CC(=O)NC1=C(C)C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249450	1	53	-1.0	-51.21	403.22	4.22	-46.99
CS(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249451	0	45	-1.0	-47.05	365.37	2.42	-44.63
CS(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249451	1	45	-1.0	-47.05	365.42	2.43	-44.62
CC1=CC=NN1C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249452	0	50	-1.0	-53.94	390.59	5.38	-48.56
CC1=CC=NN1C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249452	1	50	-1.0	-53.93	390.65	5.39	-48.54
CC(C)(C)C1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249453	0	50	-1.0	-43.56	384.03	3.74	-39.82
CC(C)(C)C1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249453	1	50	-1.0	-43.50	383.98	3.72	-39.78
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=C1	REAL300020249454	0	43	-1.0	-49.49	354.64	3.72	-45.77
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=C1	REAL300020249454	1	43	-1.0	-49.50	354.69	3.72	-45.78
CC(C)N1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020249455	0	52	-1.0	-47.30	403.07	5.25	-42.05
CC(C)N1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020249455	1	52	-1.0	-47.27	403.02	5.24	-42.03
COC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249456	0	47	-1.0	-47.52	363.07	3.91	-43.61
COC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249456	1	47	-1.0	-47.55	363.12	3.91	-43.64
CC(C)CC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249457	0	52	-1.0	-43.46	394.03	5.43	-38.03
CC(C)CC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249457	1	52	-1.0	-43.47	394.08	5.43	-38.04
O=C(NC1=CC=CC=C1N1CCOC1=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249458	0	49	-1.0	-51.28	387.29	4.69	-46.59
O=C(NC1=CC=CC=C1N1CCOC1=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249458	1	49	-1.0	-51.25	387.34	4.70	-46.55
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=NN1	REAL300020249459	0	49	-1.0	-48.85	390.15	4.49	-44.36
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=NN1	REAL300020249459	1	49	-1.0	-48.85	390.20	4.49	-44.36
O=C(NC1=CC(N2C=CC=C2)=CC=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249460	0	48	-1.0	-47.14	379.63	6.73	-40.41
O=C(NC1=CC(N2C=CC=C2)=CC=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249460	1	48	-1.0	-47.19	379.68	6.74	-40.45
CCN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020249461	0	52	-1.0	-45.11	384.69	3.91	-41.20
CCN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020249461	1	52	-1.0	-45.10	384.74	3.91	-41.19
CC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249462	0	41	-1.0	-42.79	323.83	1.81	-40.98
CC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249462	1	41	-1.0	-42.76	323.88	1.81	-40.95
O=C(NC1=CN=C(C2CC2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249463	0	45	-1.0	-42.96	354.34	3.49	-39.47
O=C(NC1=CN=C(C2CC2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249463	1	45	-1.0	-43.01	354.39	3.50	-39.51
CC(C)N1N=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020249464	0	52	-1.0	-47.03	403.25	5.30	-41.73
CC(C)N1N=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020249464	1	52	-1.0	-47.03	403.20	5.30	-41.73
CCC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249465	0	46	-1.0	-43.87	356.86	3.85	-40.02
CCC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249465	1	46	-1.0	-43.86	356.90	3.85	-40.01
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC(F)F	REAL300020249466	0	47	-1.0	-48.62	372.16	4.16	-44.46
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC(F)F	REAL300020249466	1	47	-1.0	-48.61	372.22	4.18	-44.43
CN1C(=O)COC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020249467	0	49	-1.0	-45.31	380.06	2.80	-42.51
CN1C(=O)COC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020249467	1	49	-1.0	-45.32	380.11	2.82	-42.50
CN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249468	0	40	-1.0	-49.20	315.12	2.56	-46.64
CN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249468	1	40	-1.0	-49.22	315.07	2.56	-46.66
CN1N=C(CC(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249469	0	55	-1.0	-43.59	411.77	5.82	-37.77
CN1N=C(CC(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249469	1	55	-1.0	-43.61	411.82	5.83	-37.78
CC(C)(C)C1=NSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249470	0	46	-2.0	-104.15	373.00	2.86	-101.29
CC(C)(C)C1=NSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249470	1	46	-2.0	-104.20	372.95	2.85	-101.35
O=C(NC1=CC=C(CC(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249471	0	46	-1.0	-46.04	374.12	5.60	-40.44
O=C(NC1=CC=C(CC(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249471	1	46	-1.0	-46.00	374.17	5.61	-40.39
CCSCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249472	0	50	-1.0	-47.52	400.76	6.60	-40.92
CCSCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249472	1	50	-1.0	-47.53	400.81	6.61	-40.92
O=C(NC1=CC(F)=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249473	0	40	-1.0	-40.48	332.15	4.00	-36.48
O=C(NC1=CC(F)=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249473	1	40	-1.0	-40.49	332.20	4.01	-36.48
CC(=O)N(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249474	0	50	-1.0	-50.91	390.38	4.48	-46.43
CC(=O)N(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249474	1	50	-1.0	-50.87	390.43	4.49	-46.38
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249475	0	47	-1.0	-49.24	377.59	5.56	-43.68
O=C(NC1=CC(C2=CC=CO2)=CC=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249475	1	47	-1.0	-49.25	377.64	5.58	-43.67
CC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249476	0	43	-1.0	-43.18	335.94	4.76	-38.42
CC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249476	1	43	-1.0	-43.21	335.99	4.77	-38.44
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020249477	0	43	-1.0	-45.04	346.52	5.04	-40.00
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020249477	1	43	-1.0	-45.09	346.57	5.04	-40.05
CC1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1C	REAL300020249478	0	49	-1.0	-52.47	380.71	4.96	-47.51
CC1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1C	REAL300020249478	1	49	-1.0	-52.45	380.76	4.95	-47.50
CC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249479	0	42	-1.0	-43.81	325.74	2.82	-40.99
CC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249479	1	42	-1.0	-43.82	325.80	2.83	-40.99
CCOCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249480	0	50	-1.0	-45.55	390.06	4.51	-41.04
CCOCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249480	1	50	-1.0	-45.57	390.12	4.53	-41.04
CCC1=CC=C(CC)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249481	0	52	-1.0	-44.78	393.65	6.93	-37.85
CCC1=CC=C(CC)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249481	1	52	-1.0	-44.83	393.70	6.93	-37.90
O=C(NC1=CC=C(F)C=C1OC(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249482	0	44	-1.0	-44.06	357.84	3.59	-40.47
O=C(NC1=CC=C(F)C=C1OC(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249482	1	44	-1.0	-44.09	357.89	3.60	-40.49
CN1C=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020249483	0	46	-1.0	-51.96	361.33	5.17	-46.79
CN1C=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020249483	1	46	-1.0	-51.93	361.38	5.18	-46.75
CC(C)(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249484	0	54	-1.0	-43.96	405.62	5.86	-38.10
CC(C)(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249484	1	54	-1.0	-44.01	405.68	5.88	-38.13
CC(C)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020249485	0	45	-1.0	-44.64	351.63	4.50	-40.14
CC(C)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020249485	1	45	-1.0	-44.63	351.68	4.51	-40.12
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020249486	0	46	-1.0	-42.46	367.54	5.35	-37.11
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020249486	1	46	-1.0	-42.52	367.60	5.36	-37.16
O=C(NC1=CC=CC(CC(F)(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249487	0	46	-1.0	-47.40	374.15	5.61	-41.79
O=C(NC1=CC=CC(CC(F)(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249487	1	46	-1.0	-47.42	374.20	5.62	-41.80
C#CCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249488	0	46	-1.0	-49.37	375.71	4.78	-44.59
C#CCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249488	1	46	-1.0	-49.42	375.76	4.78	-44.64
C#CCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249489	0	46	-1.0	-45.75	375.72	4.79	-40.96
C#CCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249489	1	46	-1.0	-45.78	375.77	4.79	-40.99
CC1=C(C)C2=NC=CC=C2C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249490	0	51	-1.0	-46.25	387.96	5.64	-40.61
CC1=C(C)C2=NC=CC=C2C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249490	1	51	-1.0	-46.23	388.02	5.66	-40.57
O=C(NC1=C(F)C=C(F)C=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249491	0	40	-1.0	-44.52	331.27	3.97	-40.55
O=C(NC1=C(F)C=C(F)C=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249491	1	40	-1.0	-44.53	331.32	3.98	-40.55
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249492	0	38	-2.0	-106.48	316.67	1.44	-105.04
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249492	1	38	-2.0	-106.51	316.72	1.45	-105.06
CC1=CSC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249492	1	39	-1.0	-44.31	319.26	2.61	-41.70
CC1=CSC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249492	1	39	-1.0	-44.32	319.31	2.63	-41.69
O=C(NC1=CC(F)=C(F)C=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249493	0	40	-1.0	-41.22	340.49	4.57	-36.65
O=C(NC1=CC(F)=C(F)C=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249493	1	40	-1.0	-41.21	340.55	4.58	-36.63
CC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249494	0	44	-1.0	-44.64	351.48	5.09	-39.55
CC1=CC=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249494	1	44	-1.0	-44.64	351.54	5.10	-39.54
CC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249495	0	42	-1.0	-43.93	328.68	2.65	-41.28
CC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249495	1	42	-1.0	-43.93	328.64	2.65	-41.28
O=C(NC1=CC=C(OCC(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249496	0	47	-1.0	-47.33	377.52	4.36	-42.97
O=C(NC1=CC=C(OCC(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249496	1	47	-1.0	-47.37	377.57	4.37	-43.00
CC(=O)N1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020249497	0	51	-1.0	-52.52	395.70	4.24	-48.28
CC(=O)N1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020249497	1	51	-1.0	-52.54	395.75	4.25	-48.29
CSC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020249498	0	44	-1.0	-42.81	368.36	5.30	-37.51
CSC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020249498	1	44	-1.0	-42.79	368.41	5.31	-37.48
CSC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249499	0	43	-1.0	-47.85	346.53	3.12	-44.73
CSC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249499	1	43	-1.0	-47.85	346.47	3.12	-44.73
COCCCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249500	0	50	-1.0	-52.21	391.92	3.22	-48.99
COCCCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249500	1	50	-1.0	-52.18	391.86	3.21	-48.97
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249501	0	55	0.0	-66.81	408.70	6.54	-60.27
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249501	1	55	0.0	-66.79	408.75	6.54	-60.25
CCCCCN1N=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249502	0	55	-1.0	-43.24	421.74	6.29	-36.95
CCCCCN1N=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249502	1	55	-1.0	-43.24	421.79	6.30	-36.94
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249503	0	50	-1.0	-50.35	396.43	7.08	-43.27
O=C(NC1=CC=C(CN2C=CN=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249503	1	50	-1.0	-50.43	396.48	7.10	-43.33
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249504	0	48	-1.0	-51.02	381.57	0.62	-50.40
CC1=CC=C(C2=NN=CO2)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249504	1	48	-1.0	-51.08	381.62	0.62	-50.46
CC1=CC=C(C(F)(F)F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249505	0	46	-1.0	-43.55	369.37	5.72	-37.83
CC1=CC=C(C(F)(F)F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249505	1	46	-1.0	-43.56	369.42	5.73	-37.83
CN1C=CN=C1C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249506	0	50	-1.0	-56.49	388.90	5.63	-50.86
CN1C=CN=C1C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249506	1	50	-1.0	-56.44	388.95	5.63	-50.81
CN(C)C1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249507	0	48	-1.0	-44.57	382.91	4.13	-40.44
CN(C)C1=CC=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249507	1	48	-1.0	-44.56	382.96	4.14	-40.42
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020249508	0	48	-1.0	-42.49	382.91	4.01	-38.48
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020249508	1	48	-1.0	-42.50	382.96	4.02	-38.48
CN(C)C(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020249509	0	49	-1.0	-49.62	381.54	3.00	-46.62
CN(C)C(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020249509	1	49	-1.0	-49.63	381.49	2.99	-46.64
CN1C=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020249510	0	43	-1.0	-56.91	339.52	3.64	-53.27
CN1C=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020249510	1	43	-1.0	-56.90	339.57	3.64	-53.26
O=C(NC1=CC=C2CCC(=O)NC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249511	0	48	-1.0	-50.05	373.01	3.02	-47.03
O=C(NC1=CC=C2CCC(=O)NC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249511	1	48	-1.0	-50.06	373.06	3.03	-47.03
O=C(NC1=CN(C2=CC=CC=N2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249512	0	46	-1.0	-47.79	368.50	4.29	-43.50
O=C(NC1=CN(C2=CC=CC=N2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249512	1	46	-1.0	-47.80	368.44	4.27	-43.53
O=C(NC1=CN(C2=NC=CC=N2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249513	0	45	-1.0	-50.95	363.96	4.74	-46.21
O=C(NC1=CN(C2=NC=CC=N2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249513	1	45	-1.0	-50.98	363.91	4.73	-46.25
N#CC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249514	0	41	-1.0	-43.47	338.59	4.36	-39.11
N#CC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249514	1	41	-1.0	-43.44	338.64	4.37	-39.07
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020249515	0	46	-1.0	-43.79	373.45	4.59	-39.20
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020249515	1	46	-1.0	-43.77	373.50	4.59	-39.18
COCCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249516	0	47	-1.0	-48.25	370.42	2.43	-45.82
COCCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249516	1	47	-1.0	-48.24	370.36	2.43	-45.81
CN(C)C(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249517	0	50	-1.0	-57.99	391.97	2.09	-55.90
CN(C)C(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249517	1	50	-1.0	-57.95	391.92	2.08	-55.87
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(=O)N(C)C	REAL300020249518	0	53	-1.0	-48.10	405.50	4.32	-43.78
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(=O)N(C)C	REAL300020249518	1	53	-1.0	-48.14	405.55	4.33	-43.81
CN1CCOC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020249519	0	50	-1.0	-45.22	378.79	2.43	-42.79
CN1CCOC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020249519	1	50	-1.0	-45.22	378.84	2.45	-42.77
O=C(NC1=CC=C2CCCC(=O)C2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249520	0	49	-1.0	-50.67	377.77	5.43	-45.24
O=C(NC1=CC=C2CCCC(=O)C2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249520	1	49	-1.0	-50.65	377.82	5.45	-45.20
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249521	0	49	-1.0	-45.64	387.08	3.16	-42.48
O=C(NC1=CC=C2N=C(C3CC3)OC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249521	1	49	-1.0	-45.59	387.13	3.17	-42.42
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020249522	0	49	-1.0	-47.17	383.86	5.01	-42.16
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020249522	1	49	-1.0	-47.18	383.91	5.02	-42.16
COC(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249523	0	49	-1.0	-46.74	385.93	5.49	-41.25
COC(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249523	1	49	-1.0	-46.77	385.98	5.50	-41.27
CC1=CC=CC2=C1N(C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1)CC2	REAL300020249524	0	47	-1.0	-45.34	347.73	6.36	-38.98
CC1=CC=CC2=C1N(C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1)CC2	REAL300020249524	1	47	-1.0	-45.33	347.79	6.36	-38.97
COC1=NC=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249525	0	46	-1.0	-47.20	360.79	1.25	-45.95
COC1=NC=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249525	1	46	-1.0	-47.20	360.74	1.24	-45.96
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL300020249526	0	46	-1.0	-43.39	364.60	5.51	-37.88
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL300020249526	1	46	-1.0	-43.38	364.65	5.52	-37.86
CN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1=O	REAL300020249527	0	51	-1.0	-58.23	391.74	4.29	-53.94
CN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1=O	REAL300020249527	1	51	-1.0	-58.23	391.79	4.31	-53.92
COC1=C(F)C=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249528	0	44	-1.0	-42.92	356.36	3.43	-39.49
COC1=C(F)C=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249528	1	44	-1.0	-42.93	356.42	3.44	-39.49
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020249529	0	45	-1.0	-44.31	347.10	3.52	-40.79
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020249529	1	45	-1.0	-44.29	347.15	3.53	-40.76
COC(=O)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249530	0	49	-1.0	-51.15	390.12	5.27	-45.88
COC(=O)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249530	1	49	-1.0	-51.19	390.17	5.28	-45.91
CC1=CN(C)C(=O)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249531	0	46	-1.0	-55.69	360.38	4.28	-51.41
CC1=CN(C)C(=O)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249531	1	46	-1.0	-55.66	360.43	4.28	-51.38
CN1N=C(C2CCC2)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249532	0	50	-1.0	-43.88	380.69	5.05	-38.83
CN1N=C(C2CCC2)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249532	1	50	-1.0	-43.86	380.74	5.06	-38.80
O=C(NC1=CC=C(Br)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249533	0	39	-1.0	-41.81	328.71	2.53	-39.28
O=C(NC1=CC=C(Br)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249533	1	39	-1.0	-41.80	328.65	2.51	-39.29
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1Cl	REAL300020249534	0	42	-1.0	-42.50	343.31	3.11	-39.39
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1Cl	REAL300020249534	1	42	-1.0	-42.54	343.25	3.09	-39.45
O=C(NC1=CC(F)=CC(Cl)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249535	0	40	-1.0	-41.45	336.29	4.40	-37.05
O=C(NC1=CC(F)=CC(Cl)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249535	1	40	-1.0	-41.46	336.35	4.42	-37.04
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=NC=CO1	REAL300020249536	0	49	-1.0	-47.66	384.84	3.84	-43.82
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1=NC=CO1	REAL300020249536	1	49	-1.0	-47.61	384.89	3.85	-43.76
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249537	0	40	-1.0	-46.77	315.25	1.59	-45.18
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249537	1	40	-1.0	-46.74	315.20	1.59	-45.15
O=C(NC1=CN(CC2CCCO2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249538	0	51	-1.0	-49.60	393.58	2.71	-46.89
O=C(NC1=CN(CC2CCCO2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249538	1	51	-1.0	-49.56	393.53	2.70	-46.86
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249539	0	50	-1.0	-47.39	396.67	5.45	-41.94
O=C(NC1=CN(CC2=CC=CC=C2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249539	1	50	-1.0	-47.36	396.62	5.45	-41.91
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249540	0	41	-2.0	-103.19	338.50	1.37	-101.82
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249540	1	41	-2.0	-103.21	338.55	1.38	-101.83
CC1=NC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249540	1	42	-1.0	-43.81	339.38	2.45	-41.36
CC1=NC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249540	1	42	-1.0	-43.83	339.43	2.46	-41.37
CC(C)CCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249541	0	52	-1.0	-49.18	397.31	5.43	-43.75
CC(C)CCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249541	1	52	-1.0	-49.17	397.25	5.42	-43.75
O=C(NC1=CC=C(F)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249542	0	39	-1.0	-42.17	313.67	1.95	-40.22
O=C(NC1=CC=C(F)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249542	1	39	-1.0	-42.17	313.62	1.95	-40.22
CN(C)C1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020249543	0	50	-1.0	-49.20	392.80	2.40	-46.80
CN(C)C1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020249543	1	50	-1.0	-49.18	392.74	2.40	-46.78
COC1=CC(OC)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020249544	0	48	-1.0	-48.76	377.36	2.62	-46.14
COC1=CC(OC)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020249544	1	48	-1.0	-48.75	377.40	2.62	-46.13
COC1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249545	0	44	-1.0	-47.75	348.24	3.23	-44.52
COC1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249545	1	44	-1.0	-47.80	348.30	3.23	-44.57
N#CC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249546	0	41	-1.0	-45.73	348.65	4.85	-40.88
N#CC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249546	1	41	-1.0	-45.73	348.70	4.85	-40.88
O=C(NC1=CC=CC2=CC=NC=C21)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249547	0	45	-1.0	-46.55	351.40	4.42	-42.13
O=C(NC1=CC=CC2=CC=NC=C21)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249547	1	45	-1.0	-46.55	351.46	4.43	-42.12
COC(=O)C1=CSC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249548	0	43	-1.0	-45.53	359.28	3.60	-41.93
COC(=O)C1=CSC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249548	1	43	-1.0	-45.56	359.33	3.60	-41.96
COCC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249549	0	47	-1.0	-43.82	378.34	4.21	-39.61
COCC1=C(Cl)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249549	1	47	-1.0	-43.81	378.39	4.22	-39.59
O=C(NC1=CC=CC(OCCF)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249550	0	47	-1.0	-51.63	371.10	4.19	-47.44
O=C(NC1=CC=CC(OCCF)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249550	1	47	-1.0	-51.65	371.15	4.21	-47.44
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249551	0	42	-1.0	-43.63	329.59	2.67	-40.96
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249551	1	42	-1.0	-43.64	329.64	2.68	-40.96
CC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249552	0	43	-1.0	-44.94	340.96	4.56	-40.38
CC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249552	1	43	-1.0	-44.95	341.01	4.57	-40.38
CC1=C(C#N)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249553	0	44	-1.0	-44.44	349.24	4.95	-39.49
CC1=C(C#N)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249553	1	44	-1.0	-44.46	349.30	4.95	-39.51
O=C(NC1=CC(F)=CC=C1OC(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249554	0	44	-1.0	-45.93	357.83	3.58	-42.35
O=C(NC1=CC(F)=CC=C1OC(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249554	1	44	-1.0	-45.93	357.88	3.59	-42.34
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249555	0	47	-1.0	-52.92	375.95	5.20	-47.72
O=C(NC1=CC=C(N2C=CC=N2)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249555	1	47	-1.0	-52.91	375.89	5.18	-47.73
COC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249556	0	44	-1.0	-44.24	348.16	3.12	-41.12
COC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249556	1	44	-1.0	-44.23	348.22	3.13	-41.10
O=C(NC1=CC=CC=C1OCC(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249557	0	47	-1.0	-53.56	376.52	4.48	-49.08
O=C(NC1=CC=CC=C1OCC(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249557	1	47	-1.0	-53.57	376.57	4.48	-49.09
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020249558	0	41	-1.0	-42.27	348.60	4.85	-37.42
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020249558	1	41	-1.0	-42.29	348.65	4.85	-37.44
COC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(N)=O	REAL300020249559	0	47	-1.0	-45.55	372.82	-1.36	-46.91
COC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(N)=O	REAL300020249559	1	47	-1.0	-45.59	372.77	-1.38	-46.97
CCOC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249560	0	47	-1.0	-44.06	380.25	4.69	-39.37
CCOC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249560	1	47	-1.0	-44.09	380.30	4.69	-39.40
CC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249561	0	43	-1.0	-45.08	349.23	5.13	-39.95
CC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249561	1	43	-1.0	-45.09	349.28	5.13	-39.96
CCCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249562	0	50	-1.0	-43.70	391.43	5.04	-38.66
CCCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249562	1	50	-1.0	-43.75	391.48	5.04	-38.71
O=C(NC1=CC=CC(N2C=CN=N2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249563	0	46	-1.0	-57.76	365.82	3.68	-54.08
O=C(NC1=CC=CC(N2C=CN=N2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249563	1	46	-1.0	-57.73	365.77	3.67	-54.06
CCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249564	0	43	-1.0	-46.70	336.78	2.45	-44.25
CCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249564	1	43	-1.0	-46.75	336.73	2.45	-44.30
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249565	0	49	-1.0	-52.59	391.06	4.55	-48.04
O=C(NC1=NN(CC2=CC=CC=N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249565	1	49	-1.0	-52.56	391.11	4.56	-48.00
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249566	0	49	-1.0	-51.96	391.37	4.64	-47.32
O=C(NC1=NN(CC2=CC=CN=C2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249566	1	49	-1.0	-51.97	391.32	4.63	-47.34
CN(C)C(=O)CN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249567	0	50	-1.0	-62.79	392.25	3.04	-59.75
CN(C)C(=O)CN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249567	1	50	-1.0	-62.79	392.20	3.03	-59.76
N#CCCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249568	0	44	-1.0	-50.36	357.60	3.88	-46.48
N#CCCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249568	1	44	-1.0	-50.30	357.54	3.88	-46.42
O=C(NC1=NN(CC(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249569	0	43	-1.0	-48.82	349.73	3.67	-45.15
O=C(NC1=NN(CC(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249569	1	43	-1.0	-48.81	349.68	3.67	-45.14
O=C(NC1=CN(C2=CC=CC=C2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249570	0	47	-1.0	-46.56	371.41	4.96	-41.60
O=C(NC1=CN(C2=CC=CC=C2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249570	1	47	-1.0	-46.57	371.35	4.94	-41.63
O=C(NC1=CN(CC(F)F)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249571	0	43	-1.0	-46.69	349.77	2.73	-43.96
O=C(NC1=CN(CC(F)F)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249571	1	43	-1.0	-46.71	349.72	2.73	-43.98
O=C(NC1=CN(CC(F)(F)F)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249572	0	43	-1.0	-48.84	354.65	2.96	-45.88
O=C(NC1=CN(CC(F)(F)F)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249572	1	43	-1.0	-48.87	354.60	2.95	-45.92
CCCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249573	0	46	-1.0	-46.35	358.28	3.21	-43.14
CCCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249573	1	46	-1.0	-46.33	358.23	3.21	-43.12
O=C(NC1=CN(CC2CC2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249574	0	47	-1.0	-46.46	368.19	3.98	-42.48
O=C(NC1=CN(CC2CC2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249574	1	47	-1.0	-46.42	368.14	3.98	-42.44
CC(C)CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249575	0	49	-1.0	-45.87	373.75	3.97	-41.90
CC(C)CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249575	1	49	-1.0	-45.88	373.70	3.98	-41.90
CC1(C)CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020249576	0	51	-1.0	-45.09	390.58	5.06	-40.03
CC1(C)CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020249576	1	51	-1.0	-45.10	390.63	5.08	-40.02
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020249577	0	46	-1.0	-43.25	358.94	1.33	-41.92
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020249577	1	46	-1.0	-43.20	358.99	1.34	-41.86
O=C(NC1=CSC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249578	0	37	-1.0	-43.51	303.33	2.73	-40.78
O=C(NC1=CSC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249578	1	37	-1.0	-43.49	303.39	2.75	-40.74
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C	REAL300020249579	0	43	-1.0	-46.96	333.30	2.10	-44.86
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C	REAL300020249579	1	43	-1.0	-47.00	333.36	2.10	-44.90
N#CCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249580	0	45	-1.0	-50.00	369.29	4.02	-45.98
N#CCOC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249580	1	45	-1.0	-50.00	369.34	4.02	-45.98
COC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020249581	0	44	-1.0	-44.67	353.61	3.22	-41.45
COC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020249581	1	44	-1.0	-44.67	353.66	3.24	-41.43
CC1=NC(CC(C)C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249582	0	50	-2.0	-102.97	396.64	3.67	-99.30
CC1=NC(CC(C)C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249582	1	50	-2.0	-103.00	396.70	3.68	-99.32
CC1=NC(CC(C)C)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249582	1	51	-1.0	-43.31	400.39	4.63	-38.68
CC1=NC(CC(C)C)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249582	1	51	-1.0	-43.29	400.44	4.64	-38.65
CC1=COC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020249583	0	49	-1.0	-49.51	390.37	2.86	-46.65
CC1=COC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020249583	1	49	-1.0	-49.50	390.32	2.86	-46.64
CC(C)SC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249584	0	50	-1.0	-47.44	388.99	6.36	-41.08
CC(C)SC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249584	1	50	-1.0	-47.48	389.04	6.36	-41.12
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249585	0	50	-1.0	-50.29	396.64	6.38	-43.91
O=C(NC1=NN(CC2=CC=CC=C2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249585	1	50	-1.0	-50.33	396.58	6.38	-43.95
C[NH+](C)CCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249586	0	52	0.0	-70.97	394.70	4.67	-66.30
C[NH+](C)CCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249586	1	52	0.0	-70.99	394.64	4.68	-66.31
CCN1N=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1CC1	REAL300020249587	0	50	-1.0	-49.23	387.29	5.38	-43.85
CCN1N=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1CC1	REAL300020249587	1	50	-1.0	-49.25	387.34	5.38	-43.87
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CCC2=C(Cl)C=CC=C21	REAL300020249588	0	44	-1.0	-53.42	355.02	6.26	-47.16
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCC2=C(Cl)C=CC=C21	REAL300020249588	1	44	-1.0	-53.44	355.07	6.26	-47.18
CC1=CC(Cl)=NC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249589	0	42	-1.0	-42.18	342.61	3.32	-38.86
CC1=CC(Cl)=NC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249589	1	42	-1.0	-42.17	342.66	3.32	-38.85
O=C(NC1=CC=C2COCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249590	0	45	-1.0	-43.98	349.13	3.11	-40.87
O=C(NC1=CC=C2COCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249590	1	45	-1.0	-44.00	349.18	3.13	-40.87
O=C([N-]C1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249591	0	45	-2.0	-107.51	375.50	3.79	-103.72
O=C([N-]C1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249591	1	45	-2.0	-107.52	375.45	3.78	-103.74
O=C(NC1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249591	1	46	-1.0	-44.74	378.11	4.88	-39.86
O=C(NC1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249591	1	46	-1.0	-44.75	378.06	4.88	-39.87
CN1C(=O)OC2=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020249592	0	46	-1.0	-55.95	366.98	3.73	-52.22
CN1C(=O)OC2=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020249592	1	46	-1.0	-55.99	367.03	3.74	-52.25
O=C(NC1=CC=C2CCNC(=O)C2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249593	0	48	-1.0	-53.52	372.42	2.24	-51.28
O=C(NC1=CC=C2CCNC(=O)C2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249593	1	48	-1.0	-53.51	372.47	2.25	-51.26
CCC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=NO1	REAL300020249594	0	45	-1.0	-42.74	350.56	3.35	-39.39
CCC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=NO1	REAL300020249594	1	45	-1.0	-42.78	350.61	3.36	-39.42
CC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020249595	0	48	-1.0	-44.63	369.32	4.90	-39.73
CC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020249595	1	48	-1.0	-44.62	369.37	4.92	-39.70
O=C(NC1=CC=C(C2=NC=CO2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249596	0	46	-1.0	-46.14	369.28	2.34	-43.80
O=C(NC1=CC=C(C2=NC=CO2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249596	1	46	-1.0	-46.12	369.23	2.32	-43.80
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249597	0	50	-1.0	-43.95	386.00	4.84	-39.11
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249597	1	50	-1.0	-43.96	386.05	4.86	-39.10
COC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249598	0	44	-1.0	-47.50	348.07	3.30	-44.20
COC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249598	1	44	-1.0	-47.56	348.12	3.31	-44.25
COC1=NC=NC(N(C)C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249599	0	50	-1.0	-46.90	385.49	2.47	-44.43
COC1=NC=NC(N(C)C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249599	1	50	-1.0	-46.86	385.42	2.47	-44.39
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N(CC2CC2)N=C1	REAL300020249600	0	50	-1.0	-43.24	388.30	5.42	-37.82
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N(CC2CC2)N=C1	REAL300020249600	1	50	-1.0	-43.22	388.28	5.42	-37.80
CCC1=NOC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249601	0	45	-1.0	-42.64	345.70	3.29	-39.35
CCC1=NOC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249601	1	45	-1.0	-42.64	345.82	3.29	-39.35
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1CC(C)C	REAL300020249602	0	52	-1.0	-46.27	389.40	4.07	-42.20
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1CC(C)C	REAL300020249602	1	52	-1.0	-46.33	389.45	4.07	-42.26
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249603	0	46	-1.0	-53.07	373.43	5.36	-47.71
O=C(NC1=NN(C2=NC=CC=C2F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249603	1	46	-1.0	-53.05	373.38	5.36	-47.69
O=C(NC1=CC=CN=C1OCC(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249604	0	46	-1.0	-52.75	373.10	1.96	-50.79
O=C(NC1=CC=CN=C1OCC(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249604	1	46	-1.0	-52.73	373.05	1.97	-50.76
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020249605	0	49	-1.0	-44.74	370.50	5.69	-39.05
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020249605	1	49	-1.0	-44.72	370.54	5.69	-39.03
CCOC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N(C)N=C1	REAL300020249606	0	49	-1.0	-49.53	385.18	4.07	-45.46
CCOC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N(C)N=C1	REAL300020249606	1	49	-1.0	-49.52	385.13	4.06	-45.46
CCC1=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020249607	0	41	-2.0	-101.41	337.97	1.43	-99.98
CCC1=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020249607	1	41	-2.0	-101.42	338.03	1.44	-99.98
CCC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020249607	1	42	-1.0	-42.16	338.67	2.34	-39.82
CCC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020249607	1	42	-1.0	-42.18	338.73	2.36	-39.82
CCC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249608	0	48	-1.0	-50.92	375.96	5.11	-45.81
CCC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249608	1	48	-1.0	-50.93	376.01	5.13	-45.80
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C#N	REAL300020249609	0	51	-1.0	-45.37	402.36	5.11	-40.26
CC(C)OC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C#N	REAL300020249609	1	51	-1.0	-45.36	402.41	5.12	-40.24
O=C(NC1=CC=CN=C1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249610	0	49	-1.0	-46.15	383.88	6.31	-39.84
O=C(NC1=CC=CN=C1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249610	1	49	-1.0	-46.12	383.83	6.30	-39.82
CC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249611	0	46	-1.0	-44.50	354.18	3.49	-41.01
CC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249611	1	46	-1.0	-44.54	354.24	3.49	-41.05
CCC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249612	0	44	-1.0	-42.98	345.83	2.37	-40.61
CCC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249612	1	44	-1.0	-42.97	345.88	2.37	-40.60
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020249613	0	41	-1.0	-42.77	339.56	4.33	-38.44
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020249613	1	41	-1.0	-42.79	339.61	4.34	-38.45
O=C(NC1=CC=C(SC(F)F)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249614	0	43	-1.0	-44.68	362.82	3.77	-40.91
O=C(NC1=CC=C(SC(F)F)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249614	1	43	-1.0	-44.64	362.76	3.75	-40.89
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020249615	0	50	-1.0	-47.44	389.64	5.48	-41.96
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020249615	1	50	-1.0	-47.51	389.70	5.47	-42.04
O=C(NC1=CC=NN1CC1CC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249616	0	47	-1.0	-42.78	367.09	4.91	-37.87
O=C(NC1=CC=NN1CC1CC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249616	1	47	-1.0	-42.76	367.04	4.90	-37.86
O=C(NC1=NN(CC(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249617	0	43	-1.0	-52.38	354.52	3.92	-48.46
O=C(NC1=NN(CC(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249617	1	43	-1.0	-52.35	354.47	3.92	-48.43
CCN1N=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249618	0	49	-1.0	-47.61	377.09	3.49	-44.12
CCN1N=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249618	1	49	-1.0	-47.58	377.16	3.49	-44.09
CCCCN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249619	0	52	-1.0	-46.19	398.11	4.51	-41.68
CCCCN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249619	1	52	-1.0	-46.25	398.16	4.51	-41.74
CC1=CON=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249620	0	39	-1.0	-48.79	311.98	3.10	-45.69
CC1=CON=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249620	1	39	-1.0	-48.77	311.93	3.07	-45.70
CC1=NN(C2=CC=CC=C2)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249621	0	50	-1.0	-46.18	390.55	6.70	-39.48
CC1=NN(C2=CC=CC=C2)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249621	1	50	-1.0	-46.17	390.60	6.70	-39.47
CC1=NN(CCC#N)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249622	0	47	-1.0	-45.99	378.10	4.47	-41.52
CC1=NN(CCC#N)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249622	1	47	-1.0	-46.05	378.15	4.48	-41.57
CCN1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249623	0	43	-1.0	-43.15	335.43	3.34	-39.81
CCN1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249623	1	43	-1.0	-43.17	335.38	3.34	-39.83
CCC(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249624	0	49	-1.0	-43.07	373.72	4.70	-38.37
CCC(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249624	1	49	-1.0	-43.04	373.66	4.69	-38.35
O=C(NC1=CC=NN1CC1=CC=CO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249625	0	47	-1.0	-45.45	376.02	4.52	-40.93
O=C(NC1=CC=NN1CC1=CC=CO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249625	1	47	-1.0	-45.43	375.97	4.51	-40.92
O=C(NC1=CC=NN1CC1=CC=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249626	0	49	-1.0	-47.80	389.88	4.58	-43.22
O=C(NC1=CC=NN1CC1=CC=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249626	1	49	-1.0	-47.78	389.94	4.59	-43.19
O=C(NC1=CC=NN1CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249627	0	50	-1.0	-43.99	393.70	6.42	-37.57
O=C(NC1=CC=NN1CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249627	1	50	-1.0	-44.00	393.65	6.41	-37.59
CC(C)CN1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249628	0	49	-1.0	-42.71	375.24	4.89	-37.82
CC(C)CN1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249628	1	49	-1.0	-42.67	375.19	4.89	-37.78
CC(C)CCN1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249629	0	52	-1.0	-42.63	395.92	5.44	-37.19
CC(C)CCN1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249629	1	52	-1.0	-42.60	395.87	5.43	-37.17
CN1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249630	0	40	-1.0	-43.40	313.55	2.51	-40.89
CN1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249630	1	40	-1.0	-43.39	313.50	2.50	-40.89
CC(C)CC(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249631	0	55	-1.0	-42.75	412.37	5.96	-36.79
CC(C)CC(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249631	1	55	-1.0	-42.80	412.32	5.96	-36.84
CCCCN1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249632	0	49	-1.0	-42.72	378.36	4.93	-37.79
CCCCN1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249632	1	49	-1.0	-42.75	378.30	4.92	-37.83
CNC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249633	0	47	-1.0	-56.37	374.32	0.15	-56.22
CNC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249633	1	47	-1.0	-56.32	374.26	0.13	-56.19
CC(C)(C)N1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249634	0	49	-1.0	-46.24	375.19	3.59	-42.65
CC(C)(C)N1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249634	1	49	-1.0	-46.24	375.14	3.59	-42.65
O=C(NC1=CC=NN1CC1CCOC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249635	0	51	-1.0	-44.10	385.41	3.50	-40.60
O=C(NC1=CC=NN1CC1CCOC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249635	1	51	-1.0	-44.13	385.36	3.50	-40.63
N#CCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249636	0	41	-1.0	-52.47	336.21	2.15	-50.32
N#CCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249636	1	41	-1.0	-52.42	336.16	2.15	-50.27
O=C(NC1=CN(CC2=CC=NC=C2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249637	0	49	-1.0	-48.74	391.61	3.63	-45.11
O=C(NC1=CN(CC2=CC=NC=C2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249637	1	49	-1.0	-48.74	391.67	3.64	-45.10
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249638	0	49	-1.0	-49.98	391.39	3.61	-46.37
O=C(NC1=CN(CC2=CC=CC=N2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249638	1	49	-1.0	-49.97	391.44	3.62	-46.35
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249639	0	49	-1.0	-48.82	391.61	3.63	-45.19
O=C(NC1=CN(CC2=CC=CN=C2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249639	1	49	-1.0	-48.79	391.56	3.62	-45.17
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249640	0	49	-1.0	-52.64	391.37	4.65	-47.99
O=C(NC1=NN(CC2=CC=NC=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249640	1	49	-1.0	-52.64	391.42	4.65	-47.99
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020249641	0	43	-1.0	-49.58	334.52	3.03	-46.55
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020249641	1	43	-1.0	-49.56	334.58	3.04	-46.52
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249642	0	51	-1.0	-48.20	393.50	2.70	-45.50
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249642	1	51	-1.0	-48.22	393.56	2.71	-45.51
CC1=CSC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249643	0	40	-1.0	-43.25	320.31	3.45	-39.80
CC1=CSC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249643	1	40	-1.0	-43.26	320.37	3.46	-39.80
CC1=NC=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249644	0	38	-2.0	-103.26	317.21	0.72	-102.54
CC1=NC=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249644	1	38	-2.0	-103.23	317.26	0.72	-102.51
CC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249644	1	39	-1.0	-43.51	319.82	1.81	-41.70
CC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249644	1	39	-1.0	-43.43	319.86	1.82	-41.61
CC1=NN(C)C(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249645	0	46	-1.0	-47.82	355.28	2.62	-45.20
CC1=NN(C)C(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249645	1	46	-1.0	-47.85	355.34	2.63	-45.22
COC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=NN1C	REAL300020249646	0	47	-1.0	-47.41	368.84	2.13	-45.28
COC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=NN1C	REAL300020249646	1	47	-1.0	-47.42	368.89	2.14	-45.28
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249647	0	47	-1.0	-50.07	375.81	5.12	-44.95
O=C(NC1=CN(C2=CC=CC=C2F)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249647	1	47	-1.0	-50.05	375.75	5.10	-44.95
COCCN1N=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249648	0	53	-1.0	-45.21	407.58	2.63	-42.58
COCCN1N=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249648	1	53	-1.0	-45.29	407.62	2.64	-42.65
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249649	0	43	-2.0	-104.13	367.10	2.08	-102.05
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249649	1	43	-2.0	-104.11	367.15	2.10	-102.01
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1C	REAL300020249650	0	46	-1.0	-55.95	356.76	4.08	-51.87
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1C	REAL300020249650	1	46	-1.0	-55.92	356.82	4.08	-51.84
CC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020249651	0	43	-1.0	-43.67	363.23	5.55	-38.12
CC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020249651	1	43	-1.0	-43.69	363.28	5.55	-38.14
O=C(NC1=C2SC=CC2=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249652	0	43	-1.0	-46.76	349.60	5.23	-41.53
O=C(NC1=C2SC=CC2=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249652	1	43	-1.0	-46.75	349.65	5.23	-41.52
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(N(C)C)=N1	REAL300020249653	0	50	-1.0	-43.75	380.26	3.92	-39.83
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(N(C)C)=[NH+]1	REAL300020249653	1	51	0.0	-53.21	387.02	3.53	-49.68
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(N(C)C)=N1	REAL300020249653	1	50	-1.0	-43.74	380.32	3.94	-39.80
CC(C#N)OC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249654	0	48	-1.0	-51.61	381.82	4.54	-47.07
CC(C#N)OC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249654	1	48	-1.0	-51.60	381.86	4.55	-47.05
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020249655	0	46	-1.0	-45.02	368.59	4.57	-40.45
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020249655	1	46	-1.0	-45.05	368.65	4.58	-40.47
O=C(NC1=CC=CC2=C1OCCC2=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249656	0	47	-1.0	-46.17	368.15	3.70	-42.47
O=C(NC1=CC=CC2=C1OCCC2=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249656	1	47	-1.0	-46.20	368.21	3.70	-42.50
O=C(NC1=CC([N+](=O)[O-])=CC=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249657	0	42	-1.0	-47.03	356.02	5.12	-41.91
O=C(NC1=CC([N+](=O)[O-])=CC=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249657	1	42	-1.0	-47.04	356.07	5.13	-41.91
O=C(NC1=CNN=C1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249658	0	47	-1.0	-45.32	369.08	4.00	-41.32
O=C(NC1=CNN=C1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249658	1	47	-1.0	-45.34	369.14	4.01	-41.33
CNC(=O)CN1C=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249659	0	46	-1.0	-65.91	371.60	3.55	-62.36
CNC(=O)CN1C=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249659	1	46	-1.0	-65.91	371.55	3.54	-62.37
COC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1C(N)=O	REAL300020249660	0	48	-1.0	-51.97	375.79	1.34	-50.63
COC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1C(N)=O	REAL300020249660	1	48	-1.0	-51.97	375.84	1.34	-50.63
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020249661	0	43	-1.0	-45.75	339.06	4.57	-41.18
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020249661	1	43	-1.0	-45.80	339.11	4.57	-41.23
CSC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249662	0	47	-1.0	-45.95	370.84	5.73	-40.22
CSC1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249662	1	47	-1.0	-45.95	370.89	5.74	-40.21
CCCC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249663	0	49	-1.0	-43.70	378.36	4.63	-39.07
CCCC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249663	1	49	-1.0	-43.73	378.40	4.63	-39.10
CCC(C)N1N=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020249664	0	52	-1.0	-49.51	395.18	5.24	-44.27
CCC(C)N1N=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020249664	1	52	-1.0	-49.49	395.23	5.24	-44.25
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1N(C)C	REAL300020249665	0	51	-1.0	-44.29	383.82	4.69	-39.60
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1N(C)C	REAL300020249665	1	51	-1.0	-44.27	383.87	4.70	-39.57
CN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020249666	0	49	-1.0	-44.94	372.08	3.63	-41.31
CN1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020249666	1	49	-1.0	-44.95	372.14	3.64	-41.31
O=C(NC1=CN=C2CCOCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249667	0	47	-1.0	-44.41	361.99	2.11	-42.30
O=C(NC1=CN=C2CCOCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249667	1	47	-1.0	-44.43	362.04	2.12	-42.31
CC(C)(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249668	0	49	-1.0	-43.67	367.39	4.74	-38.93
CC(C)(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249668	1	49	-1.0	-43.64	367.34	4.74	-38.90
CC1=NN(C2=NC=CC=N2)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249669	0	48	-1.0	-51.85	381.41	6.83	-45.02
CC1=NN(C2=NC=CC=N2)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249669	1	48	-1.0	-51.78	381.35	6.83	-44.95
O=C(NC1=CC=NN1C1=CC=NC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249670	0	46	-1.0	-44.29	363.63	4.34	-39.95
O=C(NC1=CC=NN1C1=CC=NC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249670	1	46	-1.0	-44.29	363.68	4.35	-39.94
CC1=CC=C(N2N=CC=C2NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020249671	0	48	-1.0	-55.47	381.59	4.89	-50.58
CC1=CC=C(N2N=CC=C2NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020249671	1	48	-1.0	-55.46	381.64	4.90	-50.56
O=C(NC1=CN=C2CCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249672	0	46	-1.0	-44.73	353.52	3.90	-40.83
O=C(NC1=CN=C2CCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249672	1	46	-1.0	-44.73	353.57	3.92	-40.81
CSC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249673	0	47	-1.0	-45.10	367.92	5.64	-39.46
CSC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249673	1	47	-1.0	-45.13	367.97	5.64	-39.49
CC(C)OC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249674	0	50	-1.0	-44.09	388.91	4.91	-39.18
CC(C)OC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249674	1	50	-1.0	-44.06	388.95	4.91	-39.15
O=C(NC1=CC=CN=C1N1CCCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249675	0	54	-1.0	-43.93	400.90	5.35	-38.58
O=C(NC1=CC=CN=C1N1CCCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249675	1	54	-1.0	-43.93	400.95	5.36	-38.57
COC(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249676	0	46	-1.0	-50.75	363.52	4.84	-45.91
COC(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249676	1	46	-1.0	-50.74	363.57	4.85	-45.89
O=C(NC1=CC=CN=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249677	0	39	-1.0	-44.32	322.84	2.64	-41.68
O=C(NC1=CC=CN=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249677	1	39	-1.0	-44.31	322.79	2.63	-41.68
CC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249678	0	38	-2.0	-108.81	318.98	2.06	-106.75
CC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249678	1	38	-2.0	-108.76	318.93	2.05	-106.71
CC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249678	1	39	-1.0	-46.48	321.60	3.18	-43.30
CC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249678	1	39	-1.0	-46.48	321.54	3.17	-43.31
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CS1	REAL300020249679	0	43	-1.0	-50.87	352.15	3.61	-47.26
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CS1	REAL300020249679	1	43	-1.0	-50.88	352.20	3.63	-47.25
CC1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020249680	0	45	-1.0	-47.79	356.53	1.50	-46.29
CC1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020249680	1	45	-1.0	-47.82	356.59	1.49	-46.33
O=C(NC1=CN=C(C2=CC=CC=C2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249681	0	48	-1.0	-45.25	381.55	5.07	-40.18
O=C(NC1=CN=C(C2=CC=CC=C2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249681	1	48	-1.0	-45.21	381.50	5.05	-40.16
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1C	REAL300020249682	0	47	-1.0	-51.08	371.86	4.00	-47.08
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1C	REAL300020249682	1	47	-1.0	-51.07	371.92	4.01	-47.06
O=C(NC1=CC=C(C2=NNC=C2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249683	0	47	-1.0	-48.41	371.88	3.80	-44.61
O=C(NC1=CC=C(C2=NNC=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249683	1	47	-1.0	-48.43	371.94	3.81	-44.62
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249684	0	48	-1.0	-47.99	373.19	6.07	-41.92
CC1=CC=C([N+](=O)[O-])C(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249684	1	48	-1.0	-47.95	373.24	6.08	-41.87
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC1=O	REAL300020249685	0	43	-1.0	-45.68	340.97	2.56	-43.12
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC1=O	REAL300020249685	1	43	-1.0	-45.68	341.02	2.57	-43.11
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1	REAL300020249686	0	44	-1.0	-46.11	354.11	2.16	-43.95
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1	REAL300020249686	1	44	-1.0	-46.10	354.16	2.18	-43.92
CC1=NN(C(C)C)C(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249687	0	52	-1.0	-47.62	396.78	4.16	-43.46
CC1=NN(C(C)C)C(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249687	1	52	-1.0	-47.60	396.83	4.17	-43.43
O=C(NC1=CC=CN=C1Br)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249688	0	39	-1.0	-44.26	327.00	2.74	-41.52
O=C(NC1=CC=CN=C1Br)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249688	1	39	-1.0	-44.25	326.95	2.73	-41.52
CS(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249689	0	45	-1.0	-51.65	365.35	2.42	-49.23
CS(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249689	1	45	-1.0	-51.64	365.40	2.43	-49.21
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C)N1	REAL300020249690	0	47	-1.0	-52.85	371.45	2.92	-49.93
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C)N1	REAL300020249690	1	47	-1.0	-52.77	371.50	2.93	-49.84
CC1=NN(C(F)F)C(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249691	0	46	-1.0	-45.94	364.42	2.67	-43.27
CC1=NN(C(F)F)C(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249691	1	46	-1.0	-45.98	364.47	2.68	-43.30
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=N1	REAL300020249692	0	43	-1.0	-42.29	355.03	1.10	-41.19
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=N1	REAL300020249692	1	43	-1.0	-42.30	354.98	1.09	-41.21
CC(C)N1C=C2C=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC2=N1	REAL300020249693	0	52	-1.0	-49.81	402.32	5.22	-44.59
CC(C)N1C=C2C=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC2=N1	REAL300020249693	1	52	-1.0	-49.85	402.27	5.19	-44.66
NC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249694	0	43	-1.0	-46.30	346.32	0.39	-45.91
NC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249694	1	43	-1.0	-46.28	346.27	0.37	-45.91
C#CC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020249695	0	42	-1.0	-47.09	350.70	4.93	-42.16
C#CC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020249695	1	42	-1.0	-47.09	350.76	4.94	-42.15
COC1=NC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249696	0	42	-1.0	-44.63	334.44	0.32	-44.31
COC1=NC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249696	1	42	-1.0	-44.59	334.38	0.31	-44.28
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249697	0	45	-2.0	-106.49	373.20	4.10	-102.39
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249697	1	45	-2.0	-106.45	373.15	4.09	-102.36
O=C(NC1=CC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249697	1	46	-1.0	-43.91	375.81	5.21	-38.70
O=C(NC1=CC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249697	1	46	-1.0	-43.85	375.76	5.20	-38.65
CC1=NN=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)O1	REAL300020249698	0	48	-1.0	-46.67	386.02	0.47	-46.20
CC1=NN=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)O1	REAL300020249698	1	48	-1.0	-46.67	386.08	0.48	-46.19
CC(C)(C)N1C=C(C#N)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249699	0	50	-1.0	-52.54	398.70	5.26	-47.28
CC(C)(C)N1C=C(C#N)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249699	1	50	-1.0	-52.52	398.65	5.25	-47.27
CC(C)N1C=C(C#N)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249700	0	47	-1.0	-52.21	379.00	4.63	-47.58
CC(C)N1C=C(C#N)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249700	1	47	-1.0	-52.16	378.94	4.62	-47.54
CN(C)C(=O)CN1C=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249701	0	49	-1.0	-66.01	388.99	5.46	-60.55
CN(C)C(=O)CN1C=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249701	1	49	-1.0	-65.99	388.94	5.45	-60.54
CS(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020249702	0	45	-1.0	-52.93	369.90	2.60	-50.33
CS(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020249702	1	45	-1.0	-52.94	369.95	2.61	-50.33
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020249703	0	44	-1.0	-47.20	353.18	0.73	-46.47
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020249703	1	44	-1.0	-47.16	353.23	0.74	-46.42
O=C(NC1=CNN=C1C1=CC=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249704	0	46	-1.0	-49.69	365.75	2.54	-47.15
O=C(NC1=CNN=C1C1=CC=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249704	1	46	-1.0	-49.71	365.80	2.53	-47.18
CCOC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1C	REAL300020249705	0	50	-1.0	-50.80	393.73	4.92	-45.88
CCOC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1C	REAL300020249705	1	50	-1.0	-50.79	393.78	4.94	-45.85
O=C(NC1=CC=C(C2CC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249706	0	47	-1.0	-44.04	361.98	5.88	-38.16
O=C(NC1=CC=C(C2CC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249706	1	47	-1.0	-44.03	362.03	5.89	-38.14
O=C(NC1=C(F)C=C(Cl)C=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249707	0	40	-1.0	-44.58	341.58	4.43	-40.15
O=C(NC1=C(F)C=C(Cl)C=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249707	1	40	-1.0	-44.60	341.64	4.43	-40.17
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020249708	0	50	-1.0	-50.71	390.00	6.39	-44.32
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020249708	1	50	-1.0	-50.76	390.05	6.39	-44.37
CCC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249709	0	46	-1.0	-44.94	357.53	2.89	-42.05
CCC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249709	1	46	-1.0	-44.94	357.58	2.89	-42.05
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1CCC#N	REAL300020249710	0	47	-1.0	-51.37	377.28	4.35	-47.02
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1CCC#N	REAL300020249710	1	47	-1.0	-51.35	377.34	4.36	-46.99
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1Cl	REAL300020249711	0	43	-1.0	-43.16	361.68	5.51	-37.65
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1Cl	REAL300020249711	1	43	-1.0	-43.17	361.73	5.51	-37.66
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249712	0	46	-1.0	-50.63	373.70	4.36	-46.27
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249712	1	46	-1.0	-50.65	373.64	4.35	-46.30
COC(=O)C1=CSC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249713	0	46	-1.0	-44.87	373.79	4.20	-40.67
COC(=O)C1=CSC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249713	1	46	-1.0	-44.89	373.84	4.21	-40.68
O=C(NC1=CC=C(C(F)(F)F)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249714	0	42	-1.0	-41.12	347.75	3.09	-38.03
O=C(NC1=CC=C(C(F)(F)F)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249714	1	42	-1.0	-41.07	347.69	3.08	-37.99
O=C(NC1=CC=CC(C2=NC=CO2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249715	0	46	-1.0	-49.91	369.35	2.35	-47.56
O=C(NC1=CC=CC(C2=NC=CO2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249715	1	46	-1.0	-49.91	369.30	2.33	-47.58
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N(C2=CC=CC=C2)N=C1	REAL300020249716	0	50	-1.0	-47.65	392.32	6.29	-41.36
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N(C2=CC=CC=C2)N=C1	REAL300020249716	1	50	-1.0	-47.66	392.16	6.26	-41.40
CN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(F)F	REAL300020249717	0	43	-1.0	-49.41	346.99	2.31	-47.10
CN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(F)F	REAL300020249717	1	43	-1.0	-49.46	347.04	2.32	-47.14
O=C(NC1=CN=CC2=CC=CC=C21)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249718	0	45	-1.0	-48.95	351.63	4.43	-44.52
O=C(NC1=CN=CC2=CC=CC=C21)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249718	1	45	-1.0	-48.90	351.58	4.42	-44.48
COC1=CC=NC2=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C12	REAL300020249719	0	49	-1.0	-49.82	382.28	3.78	-46.04
COC1=CC=NC2=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C12	REAL300020249719	1	49	-1.0	-49.79	382.23	3.78	-46.01
CNC(=O)CN1N=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020249720	0	50	-1.0	-57.63	394.92	1.60	-56.03
CNC(=O)CN1N=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020249720	1	50	-1.0	-57.61	394.97	1.60	-56.01
O=C(NC1=CN=CC(Br)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249721	0	39	-1.0	-42.23	328.56	2.62	-39.61
O=C(NC1=CN=CC(Br)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249721	1	39	-1.0	-42.28	328.51	2.61	-39.67
CCC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1CC(C)C	REAL300020249722	0	55	-1.0	-46.07	417.29	5.26	-40.81
CCC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1CC(C)C	REAL300020249722	1	55	-1.0	-46.13	417.34	5.26	-40.87
N#CC1=CC=C2CCN(C(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020249723	0	45	-1.0	-56.24	358.81	6.27	-49.97
N#CC1=CC=C2CCN(C(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020249723	1	45	-1.0	-56.25	358.86	6.29	-49.96
O=C([N-]C1=C(C2CC2)N=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249724	0	42	-2.0	-100.95	347.58	2.27	-98.68
O=C([N-]C1=C(C2CC2)N=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249724	1	42	-2.0	-100.94	347.63	2.28	-98.66
O=C(NC1=C(C2CC2)N=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249724	1	43	-1.0	-42.91	348.54	3.43	-39.48
O=C(NC1=C(C2CC2)N=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249724	1	43	-1.0	-42.92	348.60	3.44	-39.48
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249725	0	49	-1.0	-49.61	386.78	3.21	-46.40
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249725	1	49	-1.0	-49.59	386.73	3.21	-46.38
CC1=CC=CC=C1N1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249726	0	50	-1.0	-45.84	388.04	6.92	-38.92
CC1=CC=CC=C1N1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249726	1	50	-1.0	-45.83	387.99	6.93	-38.90
O=C(NC1=CC=NN1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249727	0	47	-1.0	-45.63	368.66	6.12	-39.51
O=C(NC1=CC=NN1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249727	1	47	-1.0	-45.69	368.61	6.12	-39.57
O=C(NC1=CC=CC2=C1OCCO2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249728	0	46	-1.0	-47.16	355.71	3.04	-44.12
O=C(NC1=CC=CC2=C1OCCO2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249728	1	46	-1.0	-47.16	355.77	3.05	-44.11
O=C(NC1=CC2=C(C=C1Cl)OCO2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249729	0	43	-1.0	-44.75	353.86	3.11	-41.64
O=C(NC1=CC2=C(C=C1Cl)OCO2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249729	1	43	-1.0	-44.71	353.91	3.11	-41.60
O=C(NC1=CN=CC2=CC=CC=C21)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249730	0	45	-1.0	-48.95	351.63	4.43	-44.52
O=C(NC1=CN=CC2=CC=CC=C21)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249730	1	45	-1.0	-48.90	351.58	4.42	-44.48
CN1N=C2CCCC2=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249731	0	47	-1.0	-45.22	356.49	4.36	-40.86
CN1N=C2CCCC2=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249731	1	47	-1.0	-45.24	356.55	4.38	-40.86
O=C(NC1=CN(C(F)F)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249732	0	40	-1.0	-44.09	328.61	1.79	-42.30
O=C(NC1=CN(C(F)F)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249732	1	40	-1.0	-44.04	328.56	1.79	-42.25
CC1=NOC(C2CC2)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249733	0	46	-1.0	-42.66	360.32	4.00	-38.66
CC1=NOC(C2CC2)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249733	1	46	-1.0	-42.73	360.41	4.01	-38.72
CS(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249734	0	48	-1.0	-64.67	382.96	3.36	-61.31
CS(=O)CC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249734	1	48	-1.0	-64.68	383.02	3.38	-61.30
COC1=CC(C#N)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249735	0	45	-1.0	-44.53	362.44	3.64	-40.89
COC1=CC(C#N)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249735	1	45	-1.0	-44.57	362.49	3.64	-40.93
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CCC2=C(F)C=CC=C21	REAL300020249736	0	44	-1.0	-53.41	345.05	5.83	-47.58
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCC2=C(F)C=CC=C21	REAL300020249736	1	44	-1.0	-53.45	345.10	5.84	-47.61
CC1=CC(Cl)=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249737	0	46	-1.0	-42.85	373.51	6.05	-36.80
CC1=CC(Cl)=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249737	1	46	-1.0	-42.85	373.51	6.06	-36.79
CC1=CC(N(C)C)=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249738	0	54	-1.0	-46.41	406.47	5.92	-40.49
CC1=CC(N(C)C)=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249738	1	54	-1.0	-46.43	406.27	5.94	-40.49
CC1=CC(C(C)C)=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249739	0	55	-1.0	-45.15	416.98	7.47	-37.68
CC1=CC(C(C)C)=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249739	1	55	-1.0	-45.10	416.99	7.48	-37.62
O=C(NC1=CC=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249740	0	39	-1.0	-47.85	309.12	3.47	-44.38
O=C(NC1=CC=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249740	1	39	-1.0	-47.84	309.07	3.45	-44.39
O=C(NC1=NOC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249741	0	36	-1.0	-46.13	287.48	2.21	-43.92
O=C(NC1=NOC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249741	1	36	-1.0	-46.12	287.43	2.21	-43.91
O=C(NC1=NN(C2=CC=CC=C2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249742	0	46	-1.0	-45.82	367.97	4.49	-41.33
O=C(NC1=NN(C2=CC=CC=C2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249742	1	46	-1.0	-45.78	367.92	4.48	-41.30
O=C(NC1=CN=CN=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249743	0	38	-1.0	-42.29	302.04	1.85	-40.44
O=C(NC1=CN=CN=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249743	1	38	-1.0	-42.27	301.99	1.85	-40.42
O=C(NC1=NN(C2CCCCC2)C=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249744	0	52	-1.0	-50.38	394.54	8.05	-42.33
O=C(NC1=NN(C2CCCCC2)C=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249744	1	52	-1.0	-50.41	394.49	8.06	-42.35
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020249745	0	43	-1.0	-54.48	340.35	2.38	-52.10
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020249745	1	43	-1.0	-54.49	340.40	2.38	-52.11
O=C(NC1=CC=CC(C(F)F)=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249746	0	43	-1.0	-45.09	355.64	5.20	-39.89
O=C(NC1=CC=CC(C(F)F)=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249746	1	43	-1.0	-45.07	355.69	5.21	-39.86
CSCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249747	0	47	-1.0	-44.35	375.37	5.94	-38.41
CSCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249747	1	47	-1.0	-44.38	375.42	5.95	-38.43
CN(C)C1=NC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249748	0	46	-1.0	-41.12	353.46	3.00	-38.12
CN(C)C1=NC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249748	1	46	-1.0	-41.12	353.41	2.97	-38.15
CCOC(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249749	0	49	-1.0	-50.54	385.38	5.77	-44.77
CCOC(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249749	1	49	-1.0	-50.53	385.43	5.77	-44.76
COC(=O)C1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249750	0	46	-1.0	-46.16	369.95	4.91	-41.25
COC(=O)C1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249750	1	46	-1.0	-46.13	370.00	4.91	-41.22
COC(=O)C1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249751	0	46	-1.0	-49.35	369.94	4.91	-44.44
COC(=O)C1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249751	1	46	-1.0	-49.40	369.99	4.92	-44.48
COC(=O)C1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249752	0	46	-1.0	-46.95	374.08	4.70	-42.25
COC(=O)C1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249752	1	46	-1.0	-47.02	374.13	4.70	-42.32
COC(=O)C1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249753	0	49	-1.0	-50.05	384.93	5.51	-44.54
COC(=O)C1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249753	1	49	-1.0	-50.05	384.99	5.51	-44.54
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249754	0	50	-1.0	-46.19	392.08	5.57	-40.62
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249754	1	50	-1.0	-46.17	392.13	5.58	-40.59
CC1=CC(=O)N(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249755	0	46	-1.0	-45.01	357.33	3.41	-41.60
CC1=CC(=O)N(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249755	1	46	-1.0	-44.96	357.38	3.43	-41.53
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN(C)C1=O	REAL300020249756	0	46	-1.0	-45.16	361.35	3.29	-41.87
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN(C)C1=O	REAL300020249756	1	46	-1.0	-45.15	361.40	3.29	-41.86
CC(CNC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1)S(N)(=O)=O	REAL300020249757	0	44	-1.0	-53.46	350.49	-2.95	-56.41
CC(CNC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1)S(N)(=O)=O	REAL300020249757	1	44	-1.0	-53.51	350.55	-2.94	-56.45
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=N1	REAL300020249758	0	42	-1.0	-45.26	336.42	1.77	-43.49
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=N1	REAL300020249758	1	42	-1.0	-45.27	336.36	1.75	-43.52
CC1=CC=CC(F)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249759	0	43	-1.0	-48.78	336.28	4.54	-44.24
CC1=CC=CC(F)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249759	1	43	-1.0	-48.80	336.35	4.55	-44.25
CC1=CC2=C(C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1)OCO2	REAL300020249760	0	46	-1.0	-44.66	356.69	3.37	-41.29
CC1=CC2=C(C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1)OCO2	REAL300020249760	1	46	-1.0	-44.66	356.74	3.38	-41.28
CN1N=C(C2CCCC2)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249761	0	53	-1.0	-43.83	397.99	5.59	-38.24
CN1N=C(C2CCCC2)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249761	1	53	-1.0	-43.85	398.04	5.60	-38.25
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249762	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	REAL300020249762	1	45	-1.0	-48.55	367.41	-1.22	-49.77
CCOC(=O)C1=CN(C)N=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249763	0	49	-1.0	-57.70	393.17	4.51	-53.19
CCOC(=O)C1=CN(C)N=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249763	1	49	-1.0	-57.72	393.12	4.49	-53.23
O=C(NC1=CC=C(C2=CC=CN2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249764	0	48	-1.0	-46.38	375.38	5.24	-41.14
O=C(NC1=CC=C(C2=CC=CN2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249764	1	48	-1.0	-46.38	375.43	5.26	-41.12
O=C(NC1=CC=CC2=C1OCO2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249765	0	43	-1.0	-46.55	339.00	2.51	-44.04
O=C(NC1=CC=CC2=C1OCO2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249765	1	43	-1.0	-46.59	339.05	2.50	-44.09
CSC1=C(F)C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020249766	0	44	-1.0	-41.32	369.18	5.01	-36.31
CSC1=C(F)C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020249766	1	44	-1.0	-41.31	369.23	5.02	-36.29
CC1=CC=NN1C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249767	0	50	-1.0	-53.98	388.66	5.98	-48.00
CC1=CC=NN1C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249767	1	50	-1.0	-54.04	388.70	5.99	-48.05
COC1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020249768	0	51	-1.0	-45.72	391.85	4.72	-41.00
COC1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020249768	1	51	-1.0	-45.71	391.91	4.74	-40.97
O=C(NC1=CN=C2CCCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249769	0	49	-1.0	-44.73	370.57	4.53	-40.20
O=C(NC1=CN=C2CCCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249769	1	49	-1.0	-44.75	370.62	4.55	-40.20
CCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249770	0	41	-2.0	-109.31	340.38	2.88	-106.43
CCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249770	1	41	-2.0	-109.32	340.32	2.87	-106.45
CCC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249770	1	42	-1.0	-44.97	342.96	4.06	-40.91
CCC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249770	1	42	-1.0	-44.97	342.91	4.04	-40.93
CCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249771	0	44	-2.0	-109.32	361.87	3.66	-105.66
CCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249771	1	44	-2.0	-109.32	361.82	3.65	-105.67
CCCC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249771	1	45	-1.0	-44.75	364.46	4.84	-39.91
CCCC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249771	1	45	-1.0	-44.74	364.41	4.82	-39.92
CC(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249772	0	44	-2.0	-109.96	360.72	3.51	-106.45
CC(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249772	1	44	-2.0	-109.92	360.67	3.50	-106.42
CC(C)C1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249772	1	45	-1.0	-44.83	363.31	4.69	-40.14
CC(C)C1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249772	1	45	-1.0	-44.78	363.26	4.67	-40.11
O=C(NC1=CN=CC=C1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249773	0	49	-1.0	-46.73	384.19	6.03	-40.70
O=C(NC1=CN=CC=C1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249773	1	49	-1.0	-46.68	384.14	6.02	-40.66
CC1=CC2=NNC=C2C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249774	0	46	-1.0	-47.96	356.45	3.34	-44.62
CC1=CC2=NNC=C2C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249774	1	46	-1.0	-47.99	356.50	3.35	-44.64
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=CS1	REAL300020249775	0	46	-1.0	-50.06	374.42	4.50	-45.56
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=CS1	REAL300020249775	1	46	-1.0	-50.10	374.45	4.50	-45.60
CN1C=C(C2=NC=CC=C2NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249776	0	49	-1.0	-51.99	385.53	3.86	-48.13
CN1C=C(C2=NC=CC=C2NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249776	1	49	-1.0	-52.04	385.48	3.85	-48.19
COCCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249777	0	50	-1.0	-47.20	385.18	4.49	-42.71
COCCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249777	1	50	-1.0	-47.19	385.22	4.50	-42.69
CN1C=CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020249778	0	47	-1.0	-45.30	360.26	5.91	-39.39
CN1C=CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020249778	1	47	-1.0	-45.29	360.31	5.91	-39.38
CC1=CN=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249779	0	42	-1.0	-44.19	344.32	3.27	-40.92
CC1=CN=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249779	1	42	-1.0	-44.21	344.26	3.27	-40.94
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C2NC=CC2=C1	REAL300020249780	0	47	-1.0	-47.07	362.84	4.69	-42.38
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C2NC=CC2=C1	REAL300020249780	1	47	-1.0	-47.06	362.89	4.70	-42.36
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020249781	0	44	-1.0	-43.54	348.89	3.20	-40.34
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020249781	1	44	-1.0	-43.54	348.94	3.21	-40.33
CN1N=CC2=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020249782	0	46	-1.0	-46.97	362.20	3.77	-43.20
CN1N=CC2=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020249782	1	46	-1.0	-46.98	362.14	3.76	-43.22
O=C(NC1=CC=C(OC2COC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249783	0	49	-1.0	-45.16	381.69	2.59	-42.57
O=C(NC1=CC=C(OC2COC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249783	1	49	-1.0	-45.14	381.75	2.60	-42.54
CC[NH+](CC)CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249784	0	58	0.0	-65.75	421.45	6.76	-58.99
CC[NH+](CC)CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249784	1	58	0.0	-65.76	421.52	6.77	-58.99
CN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(F)(F)F	REAL300020249785	0	43	-1.0	-43.73	347.48	2.46	-41.27
CN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(F)(F)F	REAL300020249785	1	43	-1.0	-43.74	347.43	2.46	-41.28
CN(C)C(=O)CNC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249786	0	43	-1.0	-51.01	334.99	0.47	-50.54
CN(C)C(=O)CNC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249786	1	43	-1.0	-51.06	335.05	0.47	-50.59
CN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020249787	0	47	-1.0	-47.53	366.95	5.57	-41.96
CN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020249787	1	47	-1.0	-47.58	367.00	5.59	-41.99
O=C(NC1=CSC(Cl)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249788	0	37	-1.0	-41.84	319.76	3.36	-38.48
O=C(NC1=CSC(Cl)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249788	1	37	-1.0	-41.85	319.80	3.37	-38.48
CCCC1=CC=CC(C(C)C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249789	0	58	-1.0	-43.64	417.35	7.91	-35.73
CCCC1=CC=CC(C(C)C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249789	1	58	-1.0	-43.65	417.37	7.92	-35.73
O=C(NC1=CC=NN1C1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249790	0	47	-1.0	-48.76	375.08	6.19	-42.57
O=C(NC1=CC=NN1C1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249790	1	47	-1.0	-48.75	375.03	6.19	-42.56
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=NC=CC=C12	REAL300020249791	0	49	-1.0	-50.07	381.94	3.75	-46.32
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=NC=CC=C12	REAL300020249791	1	49	-1.0	-50.03	381.89	3.74	-46.29
COC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020249792	0	47	-1.0	-46.94	366.30	3.95	-42.99
COC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020249792	1	47	-1.0	-46.91	366.36	3.97	-42.94
O=C(NC1=C(Cl)SC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249793	0	37	-1.0	-43.60	317.00	3.32	-40.28
O=C(NC1=C(Cl)SC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249793	1	37	-1.0	-43.61	317.05	3.34	-40.27
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249794	0	49	-1.0	-43.62	384.89	6.00	-37.62
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249794	1	49	-1.0	-43.60	384.84	5.98	-37.62
CCCC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249795	0	47	-2.0	-104.06	381.42	2.95	-101.11
CCCC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249795	1	47	-2.0	-104.06	381.47	2.96	-101.10
CCCC1=NC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249795	1	48	-1.0	-43.30	382.43	3.94	-39.36
CCCC1=NC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249795	1	48	-1.0	-43.29	382.49	3.94	-39.35
C[NH+](C)CCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249796	0	55	0.0	-54.05	408.70	6.80	-47.25
C[NH+](C)CCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249796	1	55	0.0	-54.07	408.76	6.81	-47.26
CSC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249797	0	47	-1.0	-49.10	371.04	5.89	-43.21
CSC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249797	1	47	-1.0	-49.13	371.00	5.91	-43.22
CC1=C(C)C2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020249798	0	49	-1.0	-46.66	381.66	5.56	-41.10
CC1=C(C)C2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020249798	1	49	-1.0	-46.62	381.71	5.58	-41.04
CC1=CC=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249799	0	42	-1.0	-46.77	330.81	4.21	-42.56
CC1=CC=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249799	1	42	-1.0	-46.78	330.87	4.23	-42.55
O=C(NC1=CC=C(Br)C=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249800	0	39	-1.0	-45.33	330.57	4.10	-41.23
O=C(NC1=CC=C(Br)C=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249800	1	39	-1.0	-45.38	330.52	4.09	-41.29
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249801	0	42	-1.0	-48.22	330.68	4.04	-44.18
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249801	1	42	-1.0	-48.22	330.73	4.07	-44.15
O=C(NC1=CC=C(C(F)(F)F)C=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249802	0	42	-1.0	-44.69	348.25	4.45	-40.24
O=C(NC1=CC=C(C(F)(F)F)C=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249802	1	42	-1.0	-44.67	348.20	4.44	-40.23
CC1=COC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020249803	0	46	-1.0	-47.13	362.49	4.84	-42.29
CC1=COC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020249803	1	46	-1.0	-47.12	362.55	4.86	-42.26
CCCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249804	0	52	-1.0	-42.42	405.10	3.05	-39.37
CCCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249804	1	52	-1.0	-42.40	405.05	3.03	-39.37
O=C(NC1=CC=CC(C(F)(F)F)=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249805	0	42	-1.0	-48.70	349.62	4.55	-44.15
O=C(NC1=CC=CC(C(F)(F)F)=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249805	1	42	-1.0	-48.73	349.57	4.53	-44.20
C#CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249806	0	46	-1.0	-49.41	369.29	4.71	-44.70
C#CCOC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249806	1	46	-1.0	-49.48	369.34	4.71	-44.77
COC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249807	0	44	-1.0	-44.22	358.39	3.76	-40.46
COC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249807	1	44	-1.0	-44.20	358.45	3.77	-40.43
CC(=O)N1CCC2=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020249808	0	51	-1.0	-50.38	391.82	4.89	-45.49
CC(=O)N1CCC2=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020249808	1	51	-1.0	-50.42	391.87	4.89	-45.53
CC(C)OC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020249809	0	49	-1.0	-44.32	381.85	2.45	-41.87
CC(C)OC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020249809	1	49	-1.0	-44.30	381.80	2.43	-41.87
O=C(NC1=C2NC=CC2=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249810	0	44	-1.0	-47.00	344.32	3.87	-43.13
O=C(NC1=C2NC=CC2=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249810	1	44	-1.0	-46.97	344.37	3.87	-43.10
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020249811	0	44	-1.0	-47.32	348.05	3.24	-44.08
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020249811	1	44	-1.0	-47.33	348.10	3.25	-44.08
CC(C1CC1)N1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249812	0	50	-1.0	-46.09	387.07	4.46	-41.63
CC(C1CC1)N1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249812	1	50	-1.0	-46.04	387.01	4.47	-41.57
COCC(C)N1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249813	0	50	-1.0	-47.99	388.25	3.02	-44.97
COCC(C)N1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249813	1	50	-1.0	-47.95	388.20	3.02	-44.93
O=C(NC1=NOC(C2CCOCC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249814	0	50	-1.0	-45.35	384.31	3.92	-41.43
O=C(NC1=NOC(C2CCOCC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249814	1	50	-1.0	-44.93	384.06	3.88	-41.05
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N(C)C=C1	REAL300020249815	0	46	-1.0	-57.27	359.00	4.23	-53.04
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N(C)C=C1	REAL300020249815	1	46	-1.0	-57.27	359.06	4.25	-53.02
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1Cl	REAL300020249816	0	46	-1.0	-42.64	367.29	5.50	-37.14
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1Cl	REAL300020249816	1	46	-1.0	-42.66	367.34	5.51	-37.15
CC1=C([N+](=O)[O-])C=CC(F)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249817	0	45	-1.0	-44.58	363.56	5.46	-39.12
CC1=C([N+](=O)[O-])C=CC(F)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249817	1	45	-1.0	-44.58	363.62	5.46	-39.12
CC1=NC(C(F)(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249818	0	45	-1.0	-41.54	365.98	4.01	-37.53
CC1=NC(C(F)(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249818	1	45	-1.0	-41.53	366.04	4.02	-37.51
O=C(NC1=CC=C(OC(F)F)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249819	0	43	-1.0	-45.40	351.35	1.26	-44.14
O=C(NC1=CC=C(OC(F)F)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249819	1	43	-1.0	-45.40	351.30	1.23	-44.17
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)C=C1C	REAL300020249820	0	50	-1.0	-44.85	380.17	4.77	-40.08
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)C=C1C	REAL300020249820	1	50	-1.0	-44.84	380.22	4.77	-40.07
CCC(C)C1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249821	0	50	-1.0	-42.58	383.72	3.65	-38.93
CCC(C)C1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249821	1	50	-1.0	-42.53	383.77	3.66	-38.87
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249822	0	40	-1.0	-42.83	328.16	2.34	-40.49
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249822	1	40	-1.0	-42.80	328.11	2.32	-40.48
O=C(NC1=CC=C(C2=CC=CO2)C=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249823	0	47	-1.0	-46.36	377.56	5.67	-40.69
O=C(NC1=CC=C(C2=CC=CO2)C=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249823	1	47	-1.0	-46.37	377.61	5.68	-40.69
O=C(NC1=CC=CC=C1OC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249824	0	44	-1.0	-44.35	358.15	3.73	-40.62
O=C(NC1=CC=CC=C1OC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249824	1	44	-1.0	-44.35	358.20	3.73	-40.62
COC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249825	0	46	-1.0	-50.35	373.55	4.60	-45.75
COC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249825	1	46	-1.0	-50.37	373.60	4.61	-45.76
O=C(NC1=CC=C(N2C=CC=N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249826	0	47	-1.0	-49.09	371.79	4.96	-44.13
O=C(NC1=CC=C(N2C=CC=N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249826	1	47	-1.0	-49.08	371.74	4.96	-44.12
O=C(NC1=CC(Cl)=CC2=CC=CN=C21)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249827	0	45	-1.0	-49.93	370.14	4.91	-45.02
O=C(NC1=CC(Cl)=CC2=CC=CN=C21)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249827	1	45	-1.0	-49.95	370.09	4.90	-45.05
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020249828	0	44	-1.0	-43.73	348.89	3.19	-40.54
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020249828	1	44	-1.0	-43.72	348.94	3.20	-40.52
NC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020249829	0	44	-1.0	-46.39	351.95	0.72	-45.67
NC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020249829	1	44	-1.0	-46.34	352.01	0.74	-45.60
NC(=O)COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249830	0	48	-1.0	-51.14	381.23	1.23	-49.91
NC(=O)COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249830	1	48	-1.0	-51.13	381.29	1.23	-49.90
CN(C)C(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249831	0	50	-1.0	-58.73	383.56	3.99	-54.74
CN(C)C(=O)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249831	1	50	-1.0	-58.73	383.62	3.99	-54.74
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(C)C)=C1	REAL300020249832	0	58	-1.0	-45.13	430.07	7.89	-37.24
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(C)C)=C1	REAL300020249832	1	58	-1.0	-45.13	430.13	7.89	-37.24
COCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249833	0	47	-1.0	-47.65	368.23	3.56	-44.09
COCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249833	1	47	-1.0	-47.68	368.28	3.57	-44.11
CC1=NN=NN1C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249834	0	48	-1.0	-50.72	380.76	3.79	-46.93
CC1=NN=NN1C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249834	1	48	-1.0	-50.70	380.81	3.79	-46.91
O=C(NC1=CC=C(OC(F)F)C=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249835	0	44	-1.0	-46.08	358.01	3.50	-42.58
O=C(NC1=CC=C(OC(F)F)C=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249835	1	44	-1.0	-46.10	358.06	3.50	-42.60
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CCC2=CC(F)=CC=C21	REAL300020249836	0	44	-1.0	-54.26	345.01	5.81	-48.45
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCC2=CC(F)=CC=C21	REAL300020249836	1	44	-1.0	-54.28	345.06	5.84	-48.44
CC1=NOC(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249837	0	48	-1.0	-49.18	380.77	3.43	-45.75
CC1=NOC(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249837	1	48	-1.0	-49.17	380.72	3.43	-45.74
O=C(NC1=CC=CC=C1CN1C=NC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249838	0	49	-1.0	-51.07	385.62	7.30	-43.77
O=C(NC1=CC=CC=C1CN1C=NC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249838	1	49	-1.0	-51.06	385.56	7.29	-43.77
CC(C)C1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249839	0	47	-1.0	-42.62	365.32	3.01	-39.61
CC(C)C1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249839	1	47	-1.0	-42.60	365.38	3.02	-39.58
CCC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249840	0	46	-1.0	-44.94	357.53	2.89	-42.05
CCC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249840	1	46	-1.0	-44.94	357.58	2.89	-42.05
CN1C(=O)COC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020249841	0	49	-1.0	-45.97	380.05	2.81	-43.16
CN1C(=O)COC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020249841	1	49	-1.0	-45.99	380.11	2.82	-43.17
O=C(NC1=CC=C(C2CCC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249842	0	50	-1.0	-44.31	378.88	6.41	-37.90
O=C(NC1=CC=C(C2CCC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249842	1	50	-1.0	-44.33	378.93	6.42	-37.91
CN1N=C(C2=CC=CO2)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249843	0	47	-1.0	-46.76	376.22	4.21	-42.55
CN1N=C(C2=CC=CO2)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249843	1	47	-1.0	-46.75	376.17	4.20	-42.55
CCC1=CC(C)=CC(CC)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249844	0	55	-1.0	-40.97	413.87	6.95	-34.02
CCC1=CC(C)=CC(CC)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249844	1	55	-1.0	-41.01	413.91	6.97	-34.04
O=C(NC1=CC=C2OCCC(=O)C2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249845	0	47	-1.0	-51.85	368.32	3.51	-48.34
O=C(NC1=CC=C2OCCC(=O)C2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249845	1	47	-1.0	-51.87	368.37	3.52	-48.35
CC(C)(C)NC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249846	0	54	-1.0	-45.22	395.80	4.55	-40.67
CC(C)(C)NC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249846	1	54	-1.0	-45.26	395.85	4.55	-40.71
O=C(NC1=CC=C(N2CCC2=O)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249847	0	48	-1.0	-50.20	377.06	4.28	-45.92
O=C(NC1=CC=C(N2CCC2=O)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249847	1	48	-1.0	-50.14	377.12	4.30	-45.84
O=C(NC1=CC=C2C=CNC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249848	0	44	-1.0	-47.24	343.60	3.79	-43.45
O=C(NC1=CC=C2C=CNC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249848	1	44	-1.0	-47.25	343.65	3.79	-43.46
CC(C)N1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249849	0	46	-1.0	-48.64	355.39	3.90	-44.74
CC(C)N1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249849	1	46	-1.0	-48.61	355.34	3.89	-44.72
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249850	0	45	-2.0	-110.99	374.91	4.98	-106.01
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249850	1	45	-2.0	-110.93	374.86	4.97	-105.96
O=C(NC1=NC=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249850	1	46	-1.0	-45.50	377.49	6.16	-39.34
O=C(NC1=NC=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249850	1	46	-1.0	-45.53	377.45	6.13	-39.40
O=C([N-]C1=NC2=C(CCCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249851	0	45	-2.0	-113.18	360.68	3.87	-109.31
O=C([N-]C1=NC2=C(CCCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249851	1	45	-2.0	-113.20	360.73	3.87	-109.33
O=C(NC1=NC2=C(CCCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249851	1	46	-1.0	-47.34	363.29	5.00	-42.34
O=C(NC1=NC2=C(CCCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249851	1	46	-1.0	-47.34	363.34	5.00	-42.34
CC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249852	0	41	-2.0	-109.24	335.53	2.15	-107.09
CC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249852	1	41	-2.0	-109.26	335.59	2.16	-107.10
CC1=C(C)SC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249852	1	42	-1.0	-45.27	338.14	3.29	-41.98
CC1=C(C)SC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249852	1	42	-1.0	-45.27	338.19	3.29	-41.98
O=C([N-]C1=NC(C2CC2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249853	0	42	-2.0	-105.32	345.69	2.97	-102.35
O=C([N-]C1=NC(C2CC2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249853	1	42	-2.0	-105.29	345.74	2.99	-102.30
O=C(NC1=NC(C2CC2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249853	1	43	-1.0	-44.59	348.32	4.04	-40.55
O=C(NC1=NC(C2CC2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249853	1	43	-1.0	-44.61	348.37	4.05	-40.56
CCC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249854	0	44	-2.0	-109.74	357.02	2.88	-106.86
CCC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249854	1	44	-2.0	-109.78	357.07	2.88	-106.90
CCC1=C(C)SC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249854	1	45	-1.0	-45.46	359.64	4.01	-41.45
CCC1=C(C)SC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249854	1	45	-1.0	-45.48	359.69	4.01	-41.47
CC(C)(C)N1C=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249855	0	51	-1.0	-46.19	390.51	6.81	-39.38
CC(C)(C)N1C=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249855	1	51	-1.0	-46.23	390.57	6.81	-39.42
O=C([N-]C1=NC2=C(CCCCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249856	0	48	-2.0	-113.66	378.04	4.42	-109.24
O=C([N-]C1=NC2=C(CCCCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249856	1	48	-2.0	-113.71	378.09	4.43	-109.28
O=C(NC1=NC2=C(CCCCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249856	1	49	-1.0	-47.69	380.64	5.55	-42.14
O=C(NC1=NC2=C(CCCCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249856	1	49	-1.0	-47.66	380.70	5.56	-42.10
CC(C)(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249857	0	47	-2.0	-110.74	378.50	3.95	-106.79
CC(C)(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249857	1	47	-2.0	-110.67	378.44	3.94	-106.73
CC(C)(C)C1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249857	1	48	-1.0	-44.80	381.08	5.13	-39.67
CC(C)(C)C1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249857	1	48	-1.0	-44.73	381.03	5.11	-39.62
O=C([N-]C1=NC(C2CCC2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249858	0	45	-2.0	-108.25	361.29	3.41	-104.84
O=C([N-]C1=NC(C2CCC2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249858	1	45	-2.0	-108.27	361.34	3.41	-104.86
O=C(NC1=NC(C2CCC2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249858	1	46	-1.0	-44.38	363.99	4.49	-39.89
O=C(NC1=NC(C2CCC2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249858	1	46	-1.0	-44.43	364.04	4.49	-39.94
CC(C)(C)CC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249859	0	50	-2.0	-107.48	392.54	4.53	-102.95
CC(C)(C)CC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249859	1	50	-2.0	-107.43	392.59	4.53	-102.90
CC(C)(C)CC1=CSC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249859	1	51	-1.0	-43.84	395.13	5.70	-38.14
CC(C)(C)CC1=CSC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249859	1	51	-1.0	-43.84	395.18	5.71	-38.13
CCCC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249860	0	44	-2.0	-107.25	359.30	3.01	-104.24
CCCC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249860	1	44	-2.0	-107.32	359.36	3.01	-104.31
CCCC1=CSC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249860	1	45	-1.0	-44.44	362.02	4.09	-40.35
CCCC1=CSC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249860	1	45	-1.0	-44.43	362.07	4.09	-40.34
COC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249861	0	47	-1.0	-48.56	361.53	5.19	-43.37
COC1=CC=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249861	1	47	-1.0	-48.58	361.59	5.20	-43.38
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1CCCC1	REAL300020249862	0	53	-1.0	-46.77	398.80	5.02	-41.75
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1CCCC1	REAL300020249862	1	53	-1.0	-46.77	398.85	5.03	-41.74
O=C(NC1=CN=CC(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249863	0	39	-1.0	-42.57	313.65	2.09	-40.48
O=C(NC1=CN=CC(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249863	1	39	-1.0	-42.56	313.60	2.07	-40.49
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020249864	0	44	-1.0	-43.11	358.69	3.68	-39.43
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020249864	1	44	-1.0	-43.15	358.74	3.70	-39.45
O=C(NC1=NN(C2CCCCC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249865	0	53	-1.0	-47.90	396.94	5.80	-42.10
O=C(NC1=NN(C2CCCCC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249865	1	53	-1.0	-47.91	396.89	5.80	-42.11
COCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249866	0	47	-1.0	-45.50	368.21	3.55	-41.95
COCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249866	1	47	-1.0	-45.54	368.26	3.56	-41.98
CC1(C2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=NO2)CCCC1	REAL300020249867	0	52	-1.0	-44.92	392.74	6.03	-38.89
CC1(C2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=NO2)CCCC1	REAL300020249867	1	52	-1.0	-45.43	392.99	6.07	-39.36
CN1N=CN=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249868	0	39	-1.0	-45.30	311.00	4.87	-40.43
CN1N=CN=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249868	1	39	-1.0	-45.31	310.95	4.86	-40.45
CN1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249868	1	38	-2.0	-105.17	309.82	3.76	-101.41
CN1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249868	1	38	-2.0	-105.16	309.76	3.76	-101.40
O=C(NC1=CNN=C1C1=NC=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249869	0	43	-1.0	-47.91	355.85	1.39	-46.52
O=C(NC1=CNN=C1C1=NC=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249869	1	43	-1.0	-47.90	355.91	1.41	-46.49
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249870	0	42	-2.0	-113.92	342.79	3.30	-110.62
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249870	1	42	-2.0	-113.96	342.84	3.30	-110.66
O=C(NC1=NC2=C(CCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249870	1	43	-1.0	-48.21	345.39	4.42	-43.79
O=C(NC1=NC2=C(CCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249870	1	43	-1.0	-48.18	345.45	4.43	-43.75
O=C([N-]C1=NC(C2=CC=CO2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249871	0	42	-2.0	-108.06	357.76	2.69	-105.37
O=C([N-]C1=NC(C2=CC=CO2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249871	1	42	-2.0	-108.05	357.71	2.69	-105.36
O=C(NC1=NC(C2=CC=CO2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249871	1	43	-1.0	-45.47	360.37	3.79	-41.68
O=C(NC1=NC(C2=CC=CO2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249871	1	43	-1.0	-45.48	360.32	3.79	-41.69
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC(C)C	REAL300020249872	0	53	-1.0	-44.33	402.19	5.44	-38.89
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC(C)C	REAL300020249872	1	53	-1.0	-44.34	402.25	5.45	-38.89
COC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020249873	0	50	-1.0	-44.75	380.17	4.74	-40.01
COC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020249873	1	50	-1.0	-44.72	380.22	4.75	-39.97
CC1=NC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249874	0	42	-1.0	-41.77	342.36	3.34	-38.43
CC1=NC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249874	1	42	-1.0	-41.81	342.41	3.34	-38.47
COC1=CC(SC)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249875	0	48	-1.0	-46.09	381.83	4.26	-41.83
COC1=CC(SC)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249875	1	48	-1.0	-46.14	381.89	4.27	-41.87
COC(=O)CN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249876	0	49	-1.0	-50.87	389.55	3.17	-47.70
COC(=O)CN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249876	1	49	-1.0	-50.88	389.60	3.18	-47.70
COC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249877	0	44	-1.0	-47.34	348.23	-0.47	-47.81
COC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249877	1	44	-1.0	-47.37	348.18	-0.47	-47.84
O=C(NC1=CC=CC(N2CCC2=O)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249878	0	48	-1.0	-55.28	378.54	4.16	-51.12
O=C(NC1=CC=CC(N2CCC2=O)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249878	1	48	-1.0	-55.29	378.59	4.18	-51.11
O=C(NC1=CC=C(Cl)C=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249879	0	39	-1.0	-45.49	326.00	4.00	-41.49
O=C(NC1=CC=C(Cl)C=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249879	1	39	-1.0	-45.46	325.95	3.98	-41.48
O=C(NC1=CC=C(F)C=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249880	0	39	-1.0	-45.76	315.67	3.57	-42.19
O=C(NC1=CC=C(F)C=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249880	1	39	-1.0	-45.76	315.62	3.55	-42.21
O=C(NC1=CC=CC(Br)=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249881	0	39	-1.0	-46.81	330.84	4.05	-42.76
O=C(NC1=CC=CC(Br)=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249881	1	39	-1.0	-46.79	330.79	4.03	-42.76
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020249882	0	40	-1.0	-46.47	330.08	3.90	-42.57
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020249882	1	40	-1.0	-46.45	330.02	3.89	-42.56
CC1=CC(C)=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249883	0	45	-1.0	-48.10	352.18	4.71	-43.39
CC1=CC(C)=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249883	1	45	-1.0	-48.09	352.23	4.73	-43.36
O=C(NC1=CC(C(F)(F)F)=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249884	0	42	-1.0	-44.68	348.42	4.54	-40.14
O=C(NC1=CC(C(F)(F)F)=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249884	1	42	-1.0	-44.63	348.37	4.53	-40.10
O=C(NC1=CC=C2SN=CC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249885	0	42	-1.0	-43.88	344.03	3.95	-39.93
O=C(NC1=CC=C2SN=CC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249885	1	42	-1.0	-43.82	343.98	3.94	-39.88
CC(C)(O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249886	0	50	-1.0	-50.71	382.19	2.52	-48.19
CC(C)(O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249886	1	50	-1.0	-50.73	382.24	2.54	-48.19
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL300020249887	0	43	-1.0	-45.92	352.91	2.67	-43.25
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL300020249887	1	43	-1.0	-45.90	352.86	2.66	-43.24
CC(C)CC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020249888	0	50	-1.0	-42.83	385.07	3.75	-39.08
CC(C)CC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020249888	1	50	-1.0	-42.88	385.11	3.75	-39.13
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249889	0	50	-1.0	-46.89	390.03	5.86	-41.03
CC1=CC(N2C=CC=N2)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249889	1	50	-1.0	-46.87	389.97	5.84	-41.03
O=C(NC1=CC=CC2=C1CCO2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249890	0	45	-1.0	-44.20	348.64	3.64	-40.56
O=C(NC1=CC=CC2=C1CCO2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249890	1	45	-1.0	-44.23	348.69	3.65	-40.58
CCC(C)N1N=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020249891	0	52	-1.0	-46.38	394.01	4.26	-42.12
CCC(C)N1N=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020249891	1	52	-1.0	-46.41	394.07	4.26	-42.15
CCC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249892	0	55	-1.0	-44.30	403.52	6.60	-37.70
CCC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249892	1	55	-1.0	-44.29	403.58	6.62	-37.67
CN1C(=O)CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020249893	0	48	-1.0	-46.76	375.12	4.20	-42.56
CN1C(=O)CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020249893	1	48	-1.0	-46.72	375.17	4.21	-42.51
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249894	0	38	-2.0	-106.48	316.67	1.44	-105.04
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249894	1	38	-2.0	-106.51	316.72	1.45	-105.06
CC1=CSC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249894	1	39	-1.0	-44.31	319.26	2.61	-41.70
CC1=CSC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249894	1	39	-1.0	-44.32	319.31	2.63	-41.69
CN1N=C(C2CCCO2)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249895	0	51	-1.0	-45.86	391.60	3.37	-42.49
CN1N=C(C2CCCO2)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249895	1	51	-1.0	-45.85	391.65	3.37	-42.48
CC1=CC=C(CN2N=CC=C2NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020249896	0	50	-1.0	-45.92	397.94	5.34	-40.58
CC1=CC=C(CN2N=CC=C2NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020249896	1	50	-1.0	-45.85	397.89	5.33	-40.52
O=C([N-]C1=CN=NS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249897	0	34	-2.0	-93.67	290.57	-0.65	-94.32
O=C([N-]C1=CN=NS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249897	1	34	-2.0	-93.65	290.51	-0.65	-94.30
CC1=CC=NC(N2N=CC=C2NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249898	0	49	-1.0	-49.85	386.73	6.28	-43.57
CC1=CC=NC(N2N=CC=C2NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249898	1	49	-1.0	-49.88	386.67	6.28	-43.60
CC1(C)CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2O1	REAL300020249899	0	51	-1.0	-48.50	389.52	4.97	-43.53
CC1(C)CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2O1	REAL300020249899	1	51	-1.0	-48.45	389.57	4.99	-43.46
O=C(NC1=CC=CC(F)=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249900	0	40	-1.0	-43.42	333.65	4.51	-38.91
O=C(NC1=CC=CC(F)=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249900	1	40	-1.0	-43.42	333.70	4.51	-38.91
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249901	0	50	-1.0	-46.20	387.07	7.26	-38.94
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249901	1	50	-1.0	-46.22	387.12	7.26	-38.96
O=C(NC1=CC=CC2=C1CNC2=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249902	0	45	-1.0	-45.46	355.14	1.32	-44.14
O=C(NC1=CC=CC2=C1CNC2=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249902	1	45	-1.0	-45.45	355.19	1.32	-44.13
O=C(NC1=CC(C(F)F)=CC=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249903	0	43	-1.0	-44.71	358.82	5.27	-39.44
O=C(NC1=CC(C(F)F)=CC=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249903	1	43	-1.0	-44.70	358.88	5.27	-39.43
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=C1C	REAL300020249904	0	46	-1.0	-46.54	379.35	4.27	-42.27
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=C1C	REAL300020249904	1	46	-1.0	-46.51	379.40	4.28	-42.23
O=C(NC1=NN2CCCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249905	0	47	-1.0	-49.52	356.80	4.19	-45.33
O=C(NC1=NN2CCCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249905	1	47	-1.0	-49.51	356.85	4.20	-45.31
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020249906	0	46	-1.0	-42.68	368.64	5.62	-37.06
CCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020249906	1	46	-1.0	-42.66	368.70	5.64	-37.02
CN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1=O	REAL300020249907	0	49	-1.0	-60.67	384.76	4.91	-55.76
CN1C=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1=O	REAL300020249907	1	49	-1.0	-60.69	384.81	4.92	-55.77
CCN(C)C(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249908	0	53	-1.0	-57.33	406.92	4.69	-52.64
CCN(C)C(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249908	1	53	-1.0	-57.31	406.97	4.70	-52.61
COC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1C	REAL300020249909	0	53	-1.0	-46.12	397.01	5.13	-40.99
COC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1C	REAL300020249909	1	53	-1.0	-46.16	397.33	5.15	-41.01
CN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL300020249910	0	50	-1.0	-47.57	390.26	5.03	-42.54
CN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL300020249910	1	50	-1.0	-47.54	390.20	5.03	-42.51
COCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249911	0	42	-2.0	-110.01	352.55	1.16	-108.85
COCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249911	1	42	-2.0	-110.03	352.50	1.15	-108.88
COCC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249911	1	43	-1.0	-45.89	355.14	2.34	-43.55
COCC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249911	1	43	-1.0	-45.92	355.09	2.32	-43.60
CC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020249912	0	45	-1.0	-44.85	357.94	4.32	-40.53
CC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020249912	1	45	-1.0	-44.89	357.99	4.33	-40.56
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(Cl)C=C1F	REAL300020249913	0	43	-1.0	-41.64	355.08	5.10	-36.54
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(Cl)C=C1F	REAL300020249913	1	43	-1.0	-41.63	355.13	5.11	-36.52
O=C(NC1=CC=C(C(F)(F)F)NC1=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249914	0	43	-1.0	-48.04	358.03	2.70	-45.34
O=C(NC1=CC=C(C(F)(F)F)NC1=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249914	1	43	-1.0	-48.06	358.08	2.70	-45.36
CC1=NN(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C=C1	REAL300020249915	0	50	-1.0	-49.55	393.68	5.55	-44.00
CC1=NN(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C=C1	REAL300020249915	1	50	-1.0	-49.51	393.73	5.56	-43.95
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020249916	0	43	-1.0	-46.01	339.46	0.50	-45.51
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020249916	1	43	-1.0	-46.00	339.41	0.47	-45.53
CCC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020249917	0	46	-1.0	-43.12	361.55	5.30	-37.82
CCC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020249917	1	46	-1.0	-43.12	361.60	5.31	-37.81
CN1NC=C2C1=NC=CC2=NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249918	0	45	-1.0	-68.58	358.77	1.94	-66.64
CN1NC=C2C1=NC=CC2=NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249918	1	45	-1.0	-68.57	358.82	1.95	-66.62
CN1[N-]C=C2C1=NC=CC2=NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249918	1	44	-2.0	-101.26	355.31	1.79	-99.47
CN1[N-]C=C2C1=NC=CC2=NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249918	1	44	-2.0	-101.31	355.37	1.79	-99.52
COC1=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020249919	0	50	-1.0	-46.73	388.68	5.39	-41.34
COC1=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020249919	1	50	-1.0	-46.73	388.73	5.41	-41.32
O=C([N-]C1=NC(C2=CC=CC=N2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249920	0	44	-2.0	-110.14	370.70	2.98	-107.16
O=C([N-]C1=NC(C2=CC=CC=N2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249920	1	44	-2.0	-110.24	370.76	2.99	-107.25
O=C(NC1=NC(C2=CC=CC=N2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249920	1	45	-1.0	-45.71	373.32	4.08	-41.63
O=C(NC1=NC(C2=CC=CC=N2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249920	1	45	-1.0	-45.73	373.37	4.09	-41.64
CC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249921	0	44	-2.0	-107.78	356.07	2.72	-105.06
CC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249921	1	44	-2.0	-107.80	356.12	2.73	-105.07
CC(C)C1=CSC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249921	1	45	-1.0	-44.38	358.76	3.81	-40.57
CC(C)C1=CSC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249921	1	45	-1.0	-44.42	358.81	3.81	-40.61
O=C([N-]C1=NC2=C(CSCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249922	0	43	-2.0	-106.80	359.28	3.18	-103.62
O=C([N-]C1=NC2=C(CSCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249922	1	43	-2.0	-106.84	359.33	3.19	-103.65
O=C(NC1=NC2=C(CSCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249922	1	44	-1.0	-44.21	361.89	4.30	-39.91
O=C(NC1=NC2=C(CSCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249922	1	44	-1.0	-44.24	361.94	4.31	-39.93
O=C(NC1=CC=CC(Cl)=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249923	0	39	-1.0	-47.04	326.25	3.97	-43.07
O=C(NC1=CC=CC(Cl)=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249923	1	39	-1.0	-47.03	326.20	3.95	-43.08
O=C(NC1=CC=CC(F)=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249924	0	39	-1.0	-48.06	315.80	3.50	-44.56
O=C(NC1=CC=CC(F)=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249924	1	39	-1.0	-48.08	315.75	3.48	-44.60
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020249925	0	42	-1.0	-48.49	336.65	0.46	-48.03
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020249925	1	42	-1.0	-48.48	336.60	0.44	-48.04
O=C([N-]C1=NC=C(C(F)(F)F)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249926	0	38	-2.0	-99.09	337.90	2.43	-96.66
O=C([N-]C1=NC=C(C(F)(F)F)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249926	1	38	-2.0	-99.08	337.84	2.43	-96.65
O=C(NC1=NC=C(C(F)(F)F)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249926	1	39	-1.0	-42.43	340.51	3.55	-38.88
O=C(NC1=NC=C(C(F)(F)F)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249926	1	39	-1.0	-42.43	340.46	3.55	-38.88
CCOC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020249927	0	50	-1.0	-44.28	384.26	4.81	-39.47
CCOC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020249927	1	50	-1.0	-44.30	384.31	4.83	-39.47
CC(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249928	0	51	-1.0	-47.61	394.43	5.61	-42.00
CC(C)C(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249928	1	51	-1.0	-47.59	394.48	5.62	-41.97
O=C(NC1=CC=C(OC2CC(=O)N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249929	0	49	-1.0	-50.36	388.11	-0.76	-51.12
O=C(NC1=CC=C(OC2CC(=O)N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249929	1	49	-1.0	-50.33	388.16	-0.74	-51.07
CC1=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C#N	REAL300020249930	0	43	-1.0	-46.03	349.37	4.33	-41.70
CC1=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C#N	REAL300020249930	1	43	-1.0	-46.00	349.42	4.35	-41.65
CC(C)(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249931	0	47	-2.0	-108.39	375.70	3.44	-104.95
CC(C)(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249931	1	47	-2.0	-108.43	375.65	3.43	-105.00
CC(C)(C)C1=CSC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249931	1	48	-1.0	-44.34	378.29	4.62	-39.72
CC(C)(C)C1=CSC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249931	1	48	-1.0	-44.28	378.24	4.60	-39.68
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249932	0	38	-2.0	-102.33	317.22	1.14	-101.19
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249932	1	38	-2.0	-102.39	317.27	1.14	-101.25
CC1=NSC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249932	1	39	-1.0	-43.09	319.83	2.24	-40.85
CC1=NSC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249932	1	39	-1.0	-43.04	319.88	2.24	-40.80
COC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249933	0	44	-1.0	-47.09	357.30	3.75	-43.34
COC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249933	1	44	-1.0	-47.07	357.34	3.76	-43.31
CC(C)C1=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020249934	0	44	-2.0	-102.48	358.14	2.12	-100.36
CC(C)C1=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020249934	1	44	-2.0	-102.47	358.19	2.13	-100.34
CC(C)C1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020249934	1	45	-1.0	-43.10	358.81	3.07	-40.03
CC(C)C1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020249934	1	45	-1.0	-43.09	358.86	3.08	-40.01
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020249935	0	46	-1.0	-48.73	371.69	4.55	-44.18
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020249935	1	46	-1.0	-48.81	371.74	4.55	-44.26
O=C(NC1=CN2N=CN=C2C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249936	0	42	-1.0	-44.10	338.14	4.30	-39.80
O=C(NC1=CN2N=CN=C2C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249936	1	42	-1.0	-44.09	338.08	4.29	-39.80
N#CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249937	0	44	-1.0	-51.02	355.41	5.00	-46.02
N#CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249937	1	44	-1.0	-51.01	355.47	5.01	-46.00
CCSCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249938	0	50	-1.0	-45.53	400.73	6.59	-38.94
CCSCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249938	1	50	-1.0	-45.55	400.79	6.60	-38.95
O=C(NC1=CC=C2CCCC2=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249939	0	46	-1.0	-49.31	354.89	5.33	-43.98
O=C(NC1=CC=C2CCCC2=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249939	1	46	-1.0	-49.34	354.94	5.35	-43.99
CC(F)(F)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249940	0	46	-1.0	-51.94	358.72	5.56	-46.38
CC(F)(F)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249940	1	46	-1.0	-51.92	358.78	5.57	-46.35
CC1=NOC(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)=N1	REAL300020249941	0	47	-1.0	-44.16	380.94	1.25	-42.91
CC1=NOC(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)=N1	REAL300020249941	1	47	-1.0	-44.20	380.99	1.28	-42.92
CC1=CC2=CC=CC=C2C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249942	0	49	-1.0	-47.04	377.72	6.90	-40.14
CC1=CC2=CC=CC=C2C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249942	1	49	-1.0	-47.06	377.78	6.90	-40.16
COCCCN1C=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249943	0	53	-1.0	-54.52	415.37	4.18	-50.34
COCCCN1C=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249943	1	53	-1.0	-54.46	415.32	4.17	-50.29
COC1=NC=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020249944	0	49	-1.0	-45.41	384.61	2.81	-42.60
COC1=NC=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020249944	1	49	-1.0	-45.38	384.56	2.81	-42.57
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C(N)=O)=C1	REAL300020249945	0	47	-1.0	-46.05	369.08	1.26	-44.79
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C(N)=O)=C1	REAL300020249945	1	47	-1.0	-46.08	369.14	1.28	-44.80
O=C(NC1=CC=CC2=C1CCC2=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249946	0	46	-1.0	-45.15	360.65	4.83	-40.32
O=C(NC1=CC=CC2=C1CCC2=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249946	1	46	-1.0	-45.19	360.70	4.84	-40.35
CCCN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C1CC1	REAL300020249947	0	53	-1.0	-46.34	405.65	5.24	-41.10
CCCN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C1CC1	REAL300020249947	1	53	-1.0	-46.34	405.70	5.24	-41.10
CCOC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249948	0	47	-1.0	-47.03	379.15	4.68	-42.35
CCOC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249948	1	47	-1.0	-47.05	379.20	4.68	-42.37
CC(C)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249949	0	50	-1.0	-43.90	383.21	4.73	-39.17
CC(C)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249949	1	50	-1.0	-43.94	383.27	4.76	-39.18
CC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020249950	0	46	-1.0	-44.87	365.95	5.59	-39.28
CC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020249950	1	46	-1.0	-44.92	366.00	5.60	-39.32
CS(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249951	0	45	-1.0	-47.05	365.37	2.42	-44.63
CS(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249951	1	45	-1.0	-47.05	365.42	2.43	-44.62
CC1=NN(C)C2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C12	REAL300020249952	0	49	-1.0	-47.88	383.35	4.29	-43.59
CC1=NN(C)C2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C12	REAL300020249952	1	49	-1.0	-47.94	383.40	4.31	-43.63
O=C(NC1=CC=CC(C2CC2)=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249953	0	46	-1.0	-49.45	358.95	5.50	-43.95
O=C(NC1=CC=CC(C2CC2)=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249953	1	46	-1.0	-49.46	359.00	5.52	-43.94
CC1=C(C2CC2)N=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249954	0	45	-2.0	-110.97	368.42	3.92	-107.05
CC1=C(C2CC2)N=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249954	1	45	-2.0	-110.95	368.47	3.92	-107.03
CC1=C(C2CC2)N=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249954	1	46	-1.0	-45.75	371.03	5.02	-40.73
CC1=C(C2CC2)N=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249954	1	46	-1.0	-45.77	371.08	5.03	-40.74
O=C(NC1=CC(F)=CC(F)=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249955	0	40	-1.0	-41.41	331.45	4.06	-37.35
O=C(NC1=CC(F)=CC(F)=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249955	1	40	-1.0	-41.43	331.50	4.06	-37.37
O=C(NC1=CC=CC=C1OCCF)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249956	0	47	-1.0	-50.06	370.09	4.30	-45.76
O=C(NC1=CC=CC=C1OCCF)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249956	1	47	-1.0	-50.04	370.14	4.31	-45.73
CC1=CN=C(OC(C)C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249957	0	52	-1.0	-46.34	402.73	3.18	-43.16
CC1=CN=C(OC(C)C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249957	1	52	-1.0	-46.40	402.68	3.17	-43.23
COC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020249958	0	42	-1.0	-47.87	333.91	3.17	-44.70
COC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020249958	1	42	-1.0	-47.88	333.86	3.17	-44.71
CNC(=O)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249959	0	48	-1.0	-54.37	384.17	1.93	-52.44
CNC(=O)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249959	1	48	-1.0	-54.36	384.22	1.95	-52.41
CN(C)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=N1	REAL300020249960	0	46	-1.0	-47.41	359.32	4.95	-42.46
CN(C)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=N1	REAL300020249960	1	46	-1.0	-47.42	359.27	4.94	-42.48
O=C(NC1=CC=C2C(=O)CCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249961	0	49	-1.0	-47.90	376.86	5.36	-42.54
O=C(NC1=CC=C2C(=O)CCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249961	1	49	-1.0	-47.91	376.92	5.38	-42.53
O=C(NC1=CC=C2C(=O)CCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249962	0	46	-1.0	-45.60	360.14	4.76	-40.84
O=C(NC1=CC=C2C(=O)CCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249962	1	46	-1.0	-45.58	360.19	4.78	-40.80
CCC(C)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249963	0	53	-1.0	-43.94	403.97	5.54	-38.40
CCC(C)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249963	1	53	-1.0	-43.99	404.02	5.56	-38.43
CCOC1=NC=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249964	0	49	-1.0	-45.85	382.62	2.18	-43.67
CCOC1=NC=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249964	1	49	-1.0	-45.86	382.56	2.16	-43.70
CC1=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020249965	0	42	-1.0	-53.19	332.18	4.57	-48.62
CC1=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020249965	1	42	-1.0	-53.16	332.23	4.57	-48.59
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN2C=CN=C12	REAL300020249966	0	46	-1.0	-44.76	363.67	5.00	-39.76
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN2C=CN=C12	REAL300020249966	1	46	-1.0	-44.79	363.72	5.00	-39.79
O=C(NC1=CC=C(C2CCOC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249967	0	51	-1.0	-44.43	387.06	4.46	-39.97
O=C(NC1=CC=C(C2CCOC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249967	1	51	-1.0	-44.50	387.12	4.46	-40.04
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1C1=NC=CO1	REAL300020249968	0	49	-1.0	-46.59	380.93	3.23	-43.36
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1C1=NC=CO1	REAL300020249968	1	49	-1.0	-46.62	380.98	3.24	-43.38
O=C(NC1=CC=CC(C2CCC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249969	0	50	-1.0	-45.20	378.01	6.35	-38.85
O=C(NC1=CC=CC(C2CCC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249969	1	50	-1.0	-45.21	378.06	6.37	-38.84
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1C	REAL300020249970	0	51	-1.0	-44.36	390.83	3.24	-41.12
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1C	REAL300020249970	1	51	-1.0	-44.31	390.88	3.26	-41.05
CN1C=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249971	0	39	-1.0	-52.44	312.59	4.94	-47.50
CN1C=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249971	1	39	-1.0	-52.47	312.53	4.94	-47.53
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249972	0	50	-1.0	-46.20	387.07	7.26	-38.94
O=C(NC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249972	1	50	-1.0	-46.22	387.12	7.26	-38.96
CC1=C(Cl)C=NC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249973	0	42	-1.0	-41.52	339.99	3.32	-38.20
CC1=C(Cl)C=NC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249973	1	42	-1.0	-41.52	340.04	3.32	-38.20
CC1=CC(Cl)=CN=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249974	0	42	-1.0	-45.00	343.96	4.80	-40.20
CC1=CC(Cl)=CN=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249974	1	42	-1.0	-44.97	343.91	4.81	-40.16
O=C(NC1=CC=CC2=NON=C21)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249975	0	41	-1.0	-44.33	328.62	2.69	-41.64
O=C(NC1=CC=CC2=NON=C21)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249975	1	41	-1.0	-44.34	328.57	2.68	-41.66
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N(C)N=C1	REAL300020249976	0	46	-1.0	-49.57	363.32	3.14	-46.43
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N(C)N=C1	REAL300020249976	1	46	-1.0	-49.56	363.27	3.14	-46.42
CN1N=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1CC1	REAL300020249977	0	47	-1.0	-49.32	365.42	4.54	-44.78
CN1N=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1CC1	REAL300020249977	1	47	-1.0	-49.36	365.48	4.54	-44.82
CN1N=NC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249978	0	39	-1.0	-42.55	308.71	1.14	-41.41
CN1N=NC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249978	1	39	-1.0	-42.50	308.66	1.14	-41.36
CC1=NN2C=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC2=N1	REAL300020249979	0	45	-1.0	-44.77	360.08	4.16	-40.61
CC1=NN2C=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC2=N1	REAL300020249979	1	45	-1.0	-44.82	360.13	4.17	-40.65
O=C(NC1=C2CCCC2=CC2=C1CCC2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249980	0	54	-1.0	-47.14	399.95	7.59	-39.55
O=C(NC1=C2CCCC2=CC2=C1CCC2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249980	1	54	-1.0	-47.11	400.01	7.61	-39.50
CC1=CC(C(F)(F)F)=NC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249981	0	45	-1.0	-41.94	366.22	4.01	-37.93
CC1=CC(C(F)(F)F)=NC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249981	1	45	-1.0	-41.94	366.27	4.02	-37.92
O=C(NC1=CC=CC2=C1COC2=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249982	0	44	-1.0	-44.59	351.75	4.25	-40.34
O=C(NC1=CC=CC2=C1COC2=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249982	1	44	-1.0	-44.58	351.81	4.26	-40.32
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249983	0	49	-1.0	-47.20	384.71	5.66	-41.54
O=C(NC1=CC=C(C2=CC=CC=N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249983	1	49	-1.0	-47.23	384.66	5.66	-41.57
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020249984	0	41	-1.0	-41.97	339.87	4.26	-37.71
N#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020249984	1	41	-1.0	-41.99	339.92	4.27	-37.72
O=C(NC1=CC=CC2=C1OCC(=O)N2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249985	0	46	-1.0	-47.66	362.11	1.11	-46.55
O=C(NC1=CC=CC2=C1OCC(=O)N2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249985	1	46	-1.0	-47.65	362.16	1.12	-46.53
O=C(NC1=CC=C2COC(=O)C2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249986	0	44	-1.0	-48.10	351.57	4.19	-43.91
O=C(NC1=CC=C2COC(=O)C2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249986	1	44	-1.0	-48.08	351.62	4.21	-43.87
COC1=CC(F)=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249987	0	44	-1.0	-44.24	353.49	3.28	-40.96
COC1=CC(F)=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249987	1	44	-1.0	-44.26	353.54	3.30	-40.96
COC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020249988	0	47	-1.0	-44.24	377.91	4.44	-39.80
COC1=CC(Cl)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020249988	1	47	-1.0	-44.23	377.96	4.44	-39.79
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249989	0	48	-1.0	-45.40	379.74	6.10	-39.30
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249989	1	48	-1.0	-45.45	379.79	6.11	-39.34
C=COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020249990	0	45	-1.0	-44.57	354.89	4.12	-40.45
C=COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020249990	1	45	-1.0	-44.56	354.94	4.14	-40.42
CC1=NC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249991	0	41	-1.0	-46.97	325.88	3.24	-43.73
CC1=NC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249991	1	41	-1.0	-47.00	325.93	3.26	-43.74
NC1=C(Cl)C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020249992	0	42	-1.0	-42.29	356.98	2.84	-39.45
NC1=C(Cl)C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020249992	1	42	-1.0	-42.28	357.04	2.85	-39.43
CCC(C)C(NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020249993	0	48	-1.0	-44.62	368.58	4.16	-40.46
CCC(C)C(NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020249993	1	48	-1.0	-44.59	368.63	4.16	-40.43
CS(=O)(=O)CC1=NOC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249994	0	43	-2.0	-121.80	367.61	-3.44	-125.24
CS(=O)(=O)CC1=NOC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249994	1	43	-2.0	-121.74	367.66	-3.44	-125.18
O=C(NC(C1CCCC1)C(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249995	0	49	-1.0	-44.39	376.64	4.59	-39.80
O=C(NC(C1CCCC1)C(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249995	1	49	-1.0	-44.43	376.70	4.59	-39.84
CC(C)(C)CC(NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020249996	0	51	-1.0	-44.43	385.33	5.53	-38.90
CC(C)(C)CC(NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020249996	1	51	-1.0	-44.45	385.39	5.56	-38.89
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1SC	REAL300020249997	0	48	-1.0	-45.22	381.75	4.19	-41.03
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1SC	REAL300020249997	1	48	-1.0	-45.25	381.80	4.21	-41.04
O=C(NC1=CC=CC=C1OC(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249998	0	44	-1.0	-46.73	351.41	3.51	-43.22
O=C(NC1=CC=CC=C1OC(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249998	1	44	-1.0	-46.71	351.46	3.52	-43.19
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C[NH+](C)C	REAL300020249999	0	55	0.0	-68.05	408.15	6.39	-61.66
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C[NH+](C)C	REAL300020249999	1	55	0.0	-68.03	408.20	6.40	-61.63
CCC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250000	0	41	-2.0	-106.97	337.81	2.23	-104.74
CCC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250000	1	41	-2.0	-106.91	337.86	2.24	-104.67
CCC1=CSC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250000	1	42	-1.0	-44.31	340.40	3.40	-40.91
CCC1=CSC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250000	1	42	-1.0	-44.32	340.45	3.42	-40.90
CC(C)N1N=CN=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250001	0	45	-1.0	-43.72	352.74	6.39	-37.33
CC(C)N1N=CN=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250001	1	45	-1.0	-45.09	352.99	6.43	-38.66
CC(C)N1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250001	1	44	-2.0	-107.43	352.08	5.42	-102.01
CC(C)N1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250001	1	44	-2.0	-107.43	352.03	5.42	-102.01
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC(F)=C1F	REAL300020250002	0	43	-1.0	-41.44	342.25	4.83	-36.61
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC(F)=C1F	REAL300020250002	1	43	-1.0	-41.45	342.31	4.83	-36.62
COC1=CC(C(N)=O)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250003	0	48	-1.0	-48.34	376.05	0.03	-48.31
COC1=CC(C(N)=O)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250003	1	48	-1.0	-48.31	376.10	0.03	-48.28
CN1CC2=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2C1=O	REAL300020250004	0	48	-1.0	-46.22	376.96	3.70	-42.52
CN1CC2=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2C1=O	REAL300020250004	1	48	-1.0	-46.23	377.01	3.70	-42.53
O=C(NC1=CC(OC2CC(=O)N2)=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250005	0	49	-1.0	-52.97	388.69	-0.34	-53.31
O=C(NC1=CC(OC2CC(=O)N2)=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250005	1	49	-1.0	-52.95	388.74	-0.33	-53.28
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1C	REAL300020250006	0	42	-1.0	-52.13	330.78	2.02	-50.11
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1C	REAL300020250006	1	42	-1.0	-52.12	330.83	2.02	-50.10
CC1=CC(C#N)=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250007	0	44	-1.0	-45.97	355.40	4.87	-41.10
CC1=CC(C#N)=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250007	1	44	-1.0	-45.98	355.45	4.89	-41.09
O=C(NC1=NN2CCCCC2=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250008	0	46	-1.0	-52.72	354.26	5.84	-46.88
O=C(NC1=NN2CCCCC2=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250008	1	46	-1.0	-52.71	354.31	5.85	-46.86
O=C(NC1=CC=CC2=C1CCNC2=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250009	0	48	-1.0	-46.75	369.75	2.48	-44.27
O=C(NC1=CC=CC2=C1CCNC2=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250009	1	48	-1.0	-46.76	369.81	2.48	-44.28
CSC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020250010	0	44	-1.0	-42.58	368.37	5.30	-37.28
CSC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020250010	1	44	-1.0	-42.56	368.42	5.31	-37.25
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1C	REAL300020250011	0	51	-1.0	-44.36	390.83	3.24	-41.12
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1C	REAL300020250011	1	51	-1.0	-44.31	390.88	3.26	-41.05
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250012	0	51	-1.0	-48.82	395.62	3.28	-45.54
O=C(NC1=CC(C2CCC(=O)N2)=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250012	1	51	-1.0	-48.79	395.68	3.30	-45.49
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020250013	0	42	-1.0	-48.31	330.69	4.15	-44.16
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020250013	1	42	-1.0	-48.30	330.64	4.13	-44.17
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250014	0	48	-1.0	-46.30	374.96	5.90	-40.40
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250014	1	48	-1.0	-46.31	375.01	5.90	-40.41
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020250015	0	42	-1.0	-43.74	328.81	2.63	-41.11
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020250015	1	42	-1.0	-43.78	328.86	2.65	-41.13
O=C(NC1=CC=NC(Cl)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250016	0	39	-1.0	-42.23	324.52	2.53	-39.70
O=C(NC1=CC=NC(Cl)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250016	1	39	-1.0	-42.25	324.47	2.52	-39.73
CC1=CC=CC(Cl)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250017	0	43	-1.0	-47.32	345.53	4.94	-42.38
CC1=CC=CC(Cl)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250017	1	43	-1.0	-47.30	345.64	4.96	-42.34
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250018	0	44	-2.0	-107.18	370.43	4.26	-102.92
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250018	1	44	-2.0	-107.16	370.38	4.26	-102.90
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020250019	0	45	-1.0	-42.86	357.24	5.01	-37.85
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020250019	1	45	-1.0	-42.88	357.30	5.02	-37.86
O=C(NC1=CC=CC(C2=NNC=C2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250020	0	47	-1.0	-53.94	371.21	3.80	-50.14
O=C(NC1=CC=CC(C2=NNC=C2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250020	1	47	-1.0	-53.93	371.26	3.81	-50.12
CC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020250021	0	48	-1.0	-43.85	366.16	4.27	-39.58
CC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020250021	1	48	-1.0	-43.89	366.20	4.28	-39.61
O=C(NC1=NOC(C2=CC=CC=C2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250022	0	46	-1.0	-45.30	367.39	6.01	-39.29
O=C(NC1=NOC(C2=CC=CC=C2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250022	1	46	-1.0	-45.24	367.34	6.00	-39.24
O=C([N-]C1=NC2=C(COCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250023	0	43	-2.0	-108.56	349.51	1.05	-107.51
O=C([N-]C1=NC2=C(COCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250023	1	43	-2.0	-108.57	349.57	1.05	-107.52
O=C(NC1=NC2=C(COCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250023	1	44	-1.0	-45.42	352.12	2.16	-43.26
O=C(NC1=NC2=C(COCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250023	1	44	-1.0	-45.38	352.17	2.17	-43.21
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250024	0	48	-1.0	-41.62	374.68	5.89	-35.73
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250024	1	48	-1.0	-41.56	374.73	5.90	-35.66
COC1=NC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250025	0	42	-1.0	-50.07	336.26	0.24	-49.83
COC1=NC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250025	1	42	-1.0	-50.05	336.21	0.22	-49.83
O=C([N-]C1=NC(C(F)(F)F)=CO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250026	0	38	-2.0	-104.05	329.27	-0.57	-104.62
O=C([N-]C1=NC(C(F)(F)F)=CO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250026	1	38	-2.0	-104.02	329.21	-0.58	-104.60
O=C(NC1=NC(C(F)(F)F)=CO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250026	1	39	-1.0	-44.12	331.87	1.12	-43.00
O=C(NC1=NC(C(F)(F)F)=CO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250026	1	39	-1.0	-44.11	331.82	1.11	-43.00
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN=C1C	REAL300020250027	0	44	-1.0	-49.43	343.24	3.42	-46.01
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN=C1C	REAL300020250027	1	44	-1.0	-49.42	343.29	3.44	-45.98
COC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250028	0	39	-2.0	-106.18	329.50	0.86	-105.32
COC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250028	1	39	-2.0	-106.16	329.45	0.86	-105.30
COC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250028	1	40	-1.0	-44.30	332.09	2.02	-42.28
COC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250028	1	40	-1.0	-44.28	332.04	2.00	-42.28
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=NNC=C21	REAL300020250029	0	46	-1.0	-52.85	359.91	3.13	-49.72
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=NNC=C21	REAL300020250029	1	46	-1.0	-52.85	359.96	3.13	-49.72
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250030	0	43	-1.0	-45.17	344.09	-1.16	-46.33
NC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250030	1	43	-1.0	-45.16	344.04	-1.17	-46.33
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020250031	0	38	-2.0	-99.48	331.96	1.62	-97.86
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020250031	1	38	-2.0	-99.49	332.02	1.62	-97.87
COC1=CN=CN=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250032	0	42	-1.0	-46.49	332.75	2.63	-43.86
COC1=CN=CN=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250032	1	42	-1.0	-47.47	333.00	2.67	-44.80
O=C([N-]C1=NSN=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250033	0	34	-2.0	-102.69	290.04	-0.33	-103.02
O=C([N-]C1=NSN=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250033	1	34	-2.0	-102.70	289.99	-0.34	-103.04
O=C(NC1=CC=C(C2CC2)N=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250034	0	45	-1.0	-50.20	354.23	4.24	-45.96
O=C(NC1=CC=C(C2CC2)N=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250034	1	45	-1.0	-50.20	354.28	4.26	-45.94
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020250035	0	50	-1.0	-50.04	383.86	4.70	-45.34
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020250035	1	50	-1.0	-50.04	383.81	4.68	-45.36
O=C(NC1=NC=CN1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250036	0	47	-1.0	-49.31	373.53	8.34	-40.97
O=C(NC1=NC=CN1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250036	1	47	-1.0	-49.32	373.48	8.33	-40.99
O=C([N-]C1=NC=CN1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250036	1	46	-2.0	-118.67	373.08	7.30	-111.37
O=C([N-]C1=NC=CN1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250036	1	46	-2.0	-118.62	373.03	7.30	-111.32
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL300020250037	0	50	-1.0	-47.15	392.10	5.31	-41.84
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL300020250037	1	50	-1.0	-47.15	392.05	5.31	-41.84
CC1=C(C2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=NO2)C=CO1	REAL300020250038	0	46	-1.0	-45.90	371.89	4.87	-41.03
CC1=C(C2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=NO2)C=CO1	REAL300020250038	1	46	-1.0	-45.92	371.84	4.87	-41.05
CN1C=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020250039	0	49	-1.0	-52.55	390.47	5.87	-46.68
CN1C=NC(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020250039	1	49	-1.0	-52.62	390.42	5.87	-46.75
CN1C=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=N1	REAL300020250040	0	49	-1.0	-50.54	391.23	5.88	-44.66
CN1C=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=N1	REAL300020250040	1	49	-1.0	-50.48	391.18	5.88	-44.60
O=C(NC1=CC=CC([N+](=O)[O-])=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250041	0	42	-1.0	-45.09	350.81	4.91	-40.18
O=C(NC1=CC=CC([N+](=O)[O-])=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250041	1	42	-1.0	-45.04	350.86	4.92	-40.12
CC1=NN=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250042	0	41	-1.0	-42.98	320.51	1.83	-41.15
CC1=NN=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250042	1	41	-1.0	-42.99	320.56	1.83	-41.16
COC1=CC=C2CCCC2=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250043	0	51	-1.0	-49.07	383.67	5.08	-43.99
COC1=CC=C2CCCC2=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250043	1	51	-1.0	-49.06	383.72	5.09	-43.97
O=C(NC1=CC2=NC=CN2C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250044	0	43	-1.0	-50.46	342.60	4.37	-46.09
O=C(NC1=CC2=NC=CN2C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250044	1	43	-1.0	-50.46	342.65	4.38	-46.08
CSC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250045	0	47	-1.0	-47.52	372.50	5.63	-41.89
CSC1=CC(C)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250045	1	47	-1.0	-47.56	372.56	5.64	-41.92
CCN1C=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020250046	0	46	-1.0	-56.65	360.93	4.58	-52.07
CCN1C=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020250046	1	46	-1.0	-56.66	360.99	4.58	-52.08
O=C(NC1=CC=C2CCCCC(=O)C2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250047	0	52	-1.0	-46.44	395.30	5.93	-40.51
O=C(NC1=CC=C2CCCCC(=O)C2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250047	1	52	-1.0	-46.39	395.35	5.95	-40.44
COC1=CC=CC(SC)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250048	0	48	-1.0	-51.07	378.50	5.52	-45.55
COC1=CC=CC(SC)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250048	1	48	-1.0	-51.12	378.56	5.54	-45.58
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C(C)C	REAL300020250049	0	49	-1.0	-49.63	376.95	4.60	-45.03
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C(C)C	REAL300020250049	1	49	-1.0	-49.67	377.00	4.61	-45.06
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020250050	0	47	-1.0	-44.12	369.25	4.08	-40.04
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020250050	1	47	-1.0	-44.14	369.30	4.11	-40.03
CC1(C)CCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1)S2	REAL300020250051	0	48	-2.0	-113.61	381.62	3.94	-109.67
CC1(C)CCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1)S2	REAL300020250051	1	48	-2.0	-113.63	381.57	3.93	-109.70
CC1(C)CCC2=C1N=C(NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1)S2	REAL300020250051	1	49	-1.0	-46.70	384.31	5.01	-41.69
CC1(C)CCC2=C1N=C(NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1)S2	REAL300020250051	1	49	-1.0	-46.71	384.26	5.00	-41.71
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250052	0	45	-1.0	-47.04	368.52	4.64	-42.40
O=C(NC1=CC2=C(Cl)N=CC=C2C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250052	1	45	-1.0	-47.06	368.46	4.63	-42.43
CC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250053	0	49	-1.0	-52.15	386.65	3.18	-48.97
CC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250053	1	49	-1.0	-52.11	386.60	3.18	-48.93
CCC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020250054	0	46	-1.0	-49.20	356.67	3.74	-45.46
CCC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020250054	1	46	-1.0	-49.22	356.72	3.75	-45.47
O=C(NC1=CC=CC=C1C(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250055	0	43	-1.0	-46.96	339.58	5.04	-41.92
O=C(NC1=CC=CC=C1C(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250055	1	43	-1.0	-46.96	339.64	5.05	-41.91
CCOC(=O)CN1C=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250056	0	48	-1.0	-61.17	389.31	6.93	-54.24
CCOC(=O)CN1C=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250056	1	48	-1.0	-61.13	389.26	6.93	-54.20
CSC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250057	0	44	-1.0	-44.05	357.51	5.03	-39.02
CSC1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250057	1	44	-1.0	-44.07	357.57	5.04	-39.03
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1C	REAL300020250058	0	46	-1.0	-45.14	364.09	5.54	-39.60
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1C	REAL300020250058	1	46	-1.0	-45.12	364.14	5.53	-39.59
CN1N=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020250059	0	45	-1.0	-53.02	356.37	2.42	-50.60
CN1N=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020250059	1	45	-1.0	-53.04	356.31	2.41	-50.63
N#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250060	0	40	-1.0	-49.22	330.35	3.85	-45.37
N#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250060	1	40	-1.0	-49.22	330.30	3.84	-45.38
CC1=CN=NN1C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020250061	0	49	-1.0	-49.34	384.75	4.13	-45.21
CC1=CN=NN1C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020250061	1	49	-1.0	-49.32	384.82	4.13	-45.19
CCC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2S1	REAL300020250062	0	48	-1.0	-45.87	386.83	4.61	-41.26
CCC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2S1	REAL300020250062	1	48	-1.0	-45.88	386.89	4.64	-41.24
O=C(NC1=CC=CN=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250063	0	39	-1.0	-45.22	313.67	2.07	-43.15
O=C(NC1=CC=CN=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250063	1	39	-1.0	-45.17	313.62	2.07	-43.10
CC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020250064	0	48	-1.0	-43.64	369.26	4.91	-38.73
CC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020250064	1	48	-1.0	-43.60	369.32	4.93	-38.67
CC1(C)CCC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020250065	0	54	-1.0	-46.28	403.56	5.61	-40.67
CC1(C)CCC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020250065	1	54	-1.0	-46.27	403.61	5.61	-40.66
CC(C)N1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250066	0	46	-1.0	-46.17	355.55	2.93	-43.24
CC(C)N1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250066	1	46	-1.0	-46.14	355.50	2.93	-43.21
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020250067	0	43	-1.0	-42.51	347.70	4.87	-37.64
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020250067	1	43	-1.0	-42.55	347.75	4.87	-37.68
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=C1C#N	REAL300020250068	0	43	-1.0	-45.71	349.43	4.42	-41.29
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=C1C#N	REAL300020250068	1	43	-1.0	-45.68	349.48	4.43	-41.25
CC(C)OC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250069	0	48	-1.0	-44.45	377.97	2.19	-42.26
CC(C)OC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250069	1	48	-1.0	-44.48	377.91	2.18	-42.30
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250070	0	46	-1.0	-45.44	374.66	5.35	-40.09
O=C(NC1=NN(C2=CC=C(F)C=N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250070	1	46	-1.0	-45.40	374.61	5.35	-40.05
CSC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020250071	0	47	-1.0	-43.96	370.95	5.36	-38.60
CSC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020250071	1	47	-1.0	-44.00	371.00	5.38	-38.62
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250072	0	45	-1.0	-48.88	365.14	4.16	-44.72
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250072	1	45	-1.0	-48.86	365.08	4.14	-44.72
CC(C)N1C=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250073	0	45	-1.0	-51.42	352.91	6.20	-45.22
CC(C)N1C=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250073	1	45	-1.0	-51.42	352.86	6.19	-45.23
O=C(NC1=CC=C2CCCCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250074	0	53	-1.0	-45.40	390.13	6.75	-38.65
O=C(NC1=CC=C2CCCCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250074	1	53	-1.0	-45.38	390.18	6.75	-38.63
CN(C)C1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250075	0	48	-1.0	-43.92	370.64	4.27	-39.65
CN(C)C1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250075	1	48	-1.0	-43.95	370.69	4.28	-39.67
O=C(NC1=CSC(C2=CC=CC=C2)=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250076	0	46	-1.0	-49.63	379.57	6.03	-43.60
O=C(NC1=CSC(C2=CC=CC=C2)=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250076	1	46	-1.0	-49.62	379.49	6.00	-43.62
O=C([N-]C1=CSC(C2=CC=CC=C2)=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250076	1	45	-2.0	-118.11	377.02	4.94	-113.17
O=C([N-]C1=CSC(C2=CC=CC=C2)=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250076	1	45	-2.0	-118.03	376.97	4.94	-113.09
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C)=C1	REAL300020250077	0	46	-1.0	-49.57	376.48	4.54	-45.03
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C)=C1	REAL300020250077	1	46	-1.0	-49.58	376.54	4.54	-45.04
CCC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250078	0	45	-1.0	-44.41	346.93	3.59	-40.82
CCC1=CC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250078	1	45	-1.0	-44.44	346.99	3.61	-40.83
O=C(NC1=CC(C(F)F)=CC=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250079	0	43	-1.0	-45.68	349.83	4.76	-40.92
O=C(NC1=CC(C(F)F)=CC=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250079	1	43	-1.0	-45.73	349.88	4.76	-40.97
COC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250080	0	42	-1.0	-44.86	336.29	0.37	-44.49
COC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250080	1	42	-1.0	-44.84	336.23	0.36	-44.48
O=C(NC1=CC2=C(CCCC2)NC1=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250081	0	50	-1.0	-59.36	381.97	3.85	-55.51
O=C(NC1=CC2=C(CCCC2)NC1=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250081	1	50	-1.0	-59.42	382.02	3.86	-55.56
CN1N=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1C(C)(C)C	REAL300020250082	0	51	-1.0	-52.25	385.07	5.96	-46.29
CN1N=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1C(C)(C)C	REAL300020250082	1	51	-1.0	-52.28	385.01	5.95	-46.33
CCC1=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020250083	0	45	-1.0	-52.90	353.66	5.18	-47.72
CCC1=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020250083	1	45	-1.0	-52.86	353.71	5.18	-47.68
NC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC1=O	REAL300020250084	0	47	-1.0	-56.53	379.64	-0.08	-56.61
NC(=O)CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC1=O	REAL300020250084	1	47	-1.0	-56.51	379.69	-0.08	-56.59
CN1CCC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2C1=O	REAL300020250085	0	51	-1.0	-47.29	392.37	4.33	-42.96
CN1CCC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2C1=O	REAL300020250085	1	51	-1.0	-47.32	392.42	4.34	-42.98
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020250086	0	46	-1.0	-42.24	373.61	5.51	-36.73
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020250086	1	46	-1.0	-42.23	373.66	5.52	-36.71
O=C(NC1=CC2=CC=CC(F)=C2N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250087	0	45	-1.0	-45.75	360.51	4.28	-41.47
O=C(NC1=CC2=CC=CC(F)=C2N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250087	1	45	-1.0	-45.74	360.46	4.28	-41.46
CCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250088	0	43	-1.0	-49.37	336.65	3.42	-45.95
CCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250088	1	43	-1.0	-49.38	336.60	3.42	-45.96
CCN1N=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250089	0	46	-1.0	-43.40	356.62	3.86	-39.54
CCN1N=CC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250089	1	46	-1.0	-43.35	356.59	3.85	-39.50
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020250090	0	43	-1.0	-42.51	347.70	4.87	-37.64
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020250090	1	43	-1.0	-42.55	347.75	4.87	-37.68
O=C(NC1=CC=C2C(=C1)C=CNC2=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250091	0	46	-1.0	-48.59	364.23	3.08	-45.51
O=C(NC1=CC=C2C(=C1)C=CNC2=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250091	1	46	-1.0	-48.62	364.28	3.09	-45.53
O=C([N-]C1=NC(C2CC2)=NS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250092	0	41	-2.0	-104.07	342.95	2.67	-101.40
O=C([N-]C1=NC(C2CC2)=NS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250092	1	41	-2.0	-104.03	343.00	2.67	-101.36
CC1=C(C(C)C)N=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250093	0	47	-2.0	-110.14	377.42	3.50	-106.64
CC1=C(C(C)C)N=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250093	1	47	-2.0	-110.17	377.48	3.49	-106.68
CC1=C(C(C)C)N=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250093	1	48	-1.0	-45.25	380.04	4.62	-40.63
CC1=C(C(C)C)N=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250093	1	48	-1.0	-45.29	380.09	4.62	-40.67
CSC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250094	0	44	-1.0	-44.16	367.83	5.48	-38.68
CSC1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250094	1	44	-1.0	-44.10	367.88	5.48	-38.62
O=C(NC1=CC=C2C(=C1)CCNC2=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250095	0	48	-1.0	-46.77	372.48	2.26	-44.51
O=C(NC1=CC=C2C(=C1)CCNC2=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250095	1	48	-1.0	-46.80	372.54	2.27	-44.53
CSC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250096	0	44	-1.0	-44.59	361.15	5.11	-39.48
CSC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250096	1	44	-1.0	-44.60	361.20	5.10	-39.50
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N(C)N=C1	REAL300020250097	0	43	-1.0	-43.98	334.32	2.98	-41.00
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N(C)N=C1	REAL300020250097	1	43	-1.0	-43.95	334.27	2.96	-40.99
CSC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250098	0	44	-1.0	-46.84	367.99	5.48	-41.36
CSC1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250098	1	44	-1.0	-46.81	368.04	5.48	-41.33
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C)S1	REAL300020250099	0	46	-1.0	-50.12	374.34	4.48	-45.64
COC(=O)C1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C)S1	REAL300020250099	1	46	-1.0	-50.17	374.40	4.49	-45.68
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL300020250100	0	45	-1.0	-41.16	363.94	3.68	-37.48
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL300020250100	1	45	-1.0	-41.12	363.89	3.66	-37.46
CC1=CC=C(C(F)(F)F)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250101	0	46	-1.0	-47.59	368.17	5.79	-41.80
CC1=CC=C(C(F)(F)F)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250101	1	46	-1.0	-47.60	368.22	5.80	-41.80
CCC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020250102	0	48	-1.0	-44.88	375.96	5.11	-39.77
CCC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020250102	1	48	-1.0	-44.85	376.01	5.13	-39.72
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020250103	0	47	-1.0	-45.65	358.79	4.11	-41.54
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020250103	1	47	-1.0	-45.69	358.83	4.11	-41.58
COCC1=NC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250104	0	45	-1.0	-48.75	359.54	2.21	-46.54
COCC1=NC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250104	1	45	-1.0	-48.77	359.59	2.23	-46.54
CN1N=NN=C1C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020250105	0	48	-1.0	-47.52	378.23	3.20	-44.32
CN1N=NN=C1C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020250105	1	48	-1.0	-47.51	378.29	3.20	-44.31
O=C(NC1=CC=C2NC(=O)OCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250106	0	46	-1.0	-46.46	363.82	1.84	-44.62
O=C(NC1=CC=C2NC(=O)OCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250106	1	46	-1.0	-46.44	363.88	1.85	-44.59
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(F)C=C1C#N	REAL300020250107	0	45	-1.0	-42.73	368.37	3.67	-39.06
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(F)C=C1C#N	REAL300020250107	1	45	-1.0	-42.74	368.42	3.68	-39.06
O=C(NC1=CC=CC2=C1OCC2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250108	0	45	-1.0	-48.16	348.79	3.68	-44.48
O=C(NC1=CC=CC2=C1OCC2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250108	1	45	-1.0	-48.18	348.84	3.68	-44.50
COC1=NNC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250109	0	41	-1.0	-43.09	325.00	-0.84	-43.93
COC1=NNC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250109	1	41	-1.0	-43.11	325.05	-0.84	-43.95
O=C(NC1=CN(CCF)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250110	0	43	-1.0	-45.36	343.37	2.59	-42.77
O=C(NC1=CN(CCF)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250110	1	43	-1.0	-45.31	343.32	2.59	-42.72
O=C(NC1=CC=C2COCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250111	0	48	-1.0	-45.32	366.02	3.85	-41.47
O=C(NC1=CC=C2COCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250111	1	48	-1.0	-45.33	366.06	3.85	-41.48
O=C(NC1=CC=C2CCCC=CC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250112	0	51	-1.0	-45.38	384.29	6.84	-38.54
O=C(NC1=CC=C2CCCC=CC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250112	1	51	-1.0	-45.44	384.35	6.86	-38.58
COCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C#N	REAL300020250113	0	48	-1.0	-44.88	384.78	3.96	-40.92
COCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C#N	REAL300020250113	1	48	-1.0	-44.88	384.83	3.97	-40.91
CN1CCC2=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2C1=O	REAL300020250114	0	51	-1.0	-46.73	389.38	4.56	-42.17
CN1CCC2=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2C1=O	REAL300020250114	1	51	-1.0	-46.76	389.43	4.56	-42.20
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1OC	REAL300020250115	0	47	-1.0	-43.79	369.70	0.46	-43.33
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1OC	REAL300020250115	1	47	-1.0	-43.78	369.64	0.45	-43.33
O=C(NC1=NN(C2CCOCC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250116	0	51	-1.0	-47.73	387.79	3.36	-44.37
O=C(NC1=NN(C2CCOCC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250116	1	51	-1.0	-47.74	387.74	3.36	-44.38
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C2=CC=CO2)=N1	REAL300020250117	0	47	-1.0	-48.87	376.50	3.32	-45.55
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C2=CC=CO2)=N1	REAL300020250117	1	47	-1.0	-48.87	376.44	3.32	-45.55
CCCOC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250118	0	49	-1.0	-44.19	380.71	3.01	-41.18
CCCOC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250118	1	49	-1.0	-44.18	380.66	3.00	-41.18
COC1=C(C)C=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250119	0	47	-1.0	-43.20	382.35	4.53	-38.67
COC1=C(C)C=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250119	1	47	-1.0	-43.23	382.40	4.54	-38.69
CC(C)C1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250120	0	49	-1.0	-42.56	386.61	6.48	-36.08
CC(C)C1=CC(Cl)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250120	1	49	-1.0	-42.51	386.67	6.48	-36.03
CCC(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250121	0	52	-1.0	-45.98	391.82	6.40	-39.58
CCC(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250121	1	52	-1.0	-45.96	391.87	6.42	-39.54
CC1=CNC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020250122	0	47	-1.0	-49.73	366.57	4.53	-45.20
CC1=CNC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020250122	1	47	-1.0	-49.74	366.62	4.55	-45.19
CN1C=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)N=N1	REAL300020250123	0	49	-1.0	-60.79	389.46	3.89	-56.90
CN1C=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)N=N1	REAL300020250123	1	49	-1.0	-60.80	389.51	3.90	-56.90
CN1N=C(C(F)(F)F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250124	0	43	-1.0	-41.68	354.90	3.50	-38.18
CN1N=C(C(F)(F)F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250124	1	43	-1.0	-41.63	354.85	3.50	-38.13
O=C(NC1=NN(C2=CC=CC=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250125	0	47	-1.0	-49.66	371.14	5.97	-43.69
O=C(NC1=NN(C2=CC=CC=C2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250125	1	47	-1.0	-49.68	371.09	5.97	-43.71
CC(C)(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250126	0	49	-1.0	-43.67	367.39	4.74	-38.93
CC(C)(C)N1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250126	1	49	-1.0	-43.64	367.34	4.74	-38.90
O=C(NC1=CC=NC(OCCO)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250127	0	47	-1.0	-47.13	373.08	-1.59	-48.72
O=C(NC1=CC=NC(OCCO)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250127	1	47	-1.0	-47.14	373.03	-1.60	-48.74
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1C	REAL300020250128	0	49	-1.0	-48.43	381.00	4.38	-44.05
CCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1C	REAL300020250128	1	49	-1.0	-48.43	381.05	4.40	-44.03
CC1=CN2C=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=N1	REAL300020250129	0	46	-1.0	-50.80	364.49	4.96	-45.84
CC1=CN2C=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=N1	REAL300020250129	1	46	-1.0	-50.83	364.54	4.96	-45.87
O=C(NC1=CC=CC2=C1COCC2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250130	0	48	-1.0	-45.76	364.26	4.14	-41.62
O=C(NC1=CC=CC2=C1COCC2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250130	1	48	-1.0	-45.83	364.31	4.14	-41.69
CC1=CN(C)N=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250131	0	43	-1.0	-51.11	338.69	3.47	-47.64
CC1=CN(C)N=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250131	1	43	-1.0	-51.08	338.64	3.47	-47.61
O=C(NC1=CC=CC(C2CCCCC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250132	0	56	-1.0	-46.02	415.01	7.62	-38.40
O=C(NC1=CC=CC(C2CCCCC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250132	1	56	-1.0	-46.01	415.04	7.64	-38.37
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020250133	0	40	-1.0	-43.74	324.60	3.56	-40.18
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020250133	1	40	-1.0	-43.73	324.64	3.56	-40.17
CC1(C)C=CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2O1	REAL300020250134	0	52	-1.0	-48.37	398.09	5.67	-42.70
CC1(C)C=CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2O1	REAL300020250134	1	52	-1.0	-48.43	398.14	5.68	-42.75
CN1N=C2CCCCC2=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250135	0	50	-1.0	-43.74	375.79	4.70	-39.04
CN1N=C2CCCCC2=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250135	1	50	-1.0	-43.74	375.84	4.71	-39.03
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020250136	0	53	-1.0	-44.74	405.17	5.55	-39.19
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020250136	1	53	-1.0	-44.72	405.23	5.56	-39.16
CCN1N=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250137	0	46	-1.0	-43.70	357.24	3.97	-39.73
CCN1N=C(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250137	1	46	-1.0	-43.75	357.30	3.98	-39.77
COCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020250138	0	51	-1.0	-45.61	394.87	3.07	-42.54
COCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020250138	1	51	-1.0	-45.61	394.93	3.08	-42.53
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020250139	0	50	-1.0	-43.17	392.25	4.92	-38.25
CCCOC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020250139	1	50	-1.0	-43.20	392.29	4.93	-38.27
O=C(NC1=NOC(C2CC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250140	0	43	-1.0	-45.07	341.01	4.61	-40.46
O=C(NC1=NOC(C2CC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250140	1	43	-1.0	-45.09	341.06	4.62	-40.47
CCCN(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250141	0	54	-1.0	-45.65	406.78	5.12	-40.53
CCCN(C)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250141	1	54	-1.0	-45.70	406.83	5.13	-40.57
CN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C1CC1	REAL300020250142	0	47	-1.0	-46.46	364.18	3.55	-42.91
CN1N=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C1CC1	REAL300020250142	1	47	-1.0	-46.49	364.22	3.56	-42.93
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020250143	0	50	-1.0	-46.59	384.76	5.58	-41.01
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020250143	1	50	-1.0	-46.61	384.81	5.59	-41.02
O=C(NC1=CC2=C(C=C1Cl)CCC2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250144	0	47	-1.0	-45.24	373.35	6.36	-38.88
O=C(NC1=CC2=C(C=C1Cl)CCC2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250144	1	47	-1.0	-45.23	373.40	6.37	-38.86
CCC1=CC(Cl)=CN=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250145	0	45	-1.0	-44.77	365.64	5.55	-39.22
CCC1=CC(Cl)=CN=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250145	1	45	-1.0	-44.71	365.58	5.56	-39.15
O=C(NC1=CC=CC(C2CCOCC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250146	0	54	-1.0	-45.59	405.71	5.22	-40.37
O=C(NC1=CC=CC(C2CCOCC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250146	1	54	-1.0	-45.60	405.76	5.23	-40.37
NC(=O)C1=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1	REAL300020250147	0	48	-1.0	-49.86	380.62	0.49	-49.37
NC(=O)C1=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1	REAL300020250147	1	48	-1.0	-49.87	380.67	0.51	-49.36
COC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250148	0	43	-1.0	-44.78	337.36	1.28	-43.50
COC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250148	1	43	-1.0	-44.78	337.31	1.28	-43.50
CSCCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250149	0	50	-1.0	-47.10	396.24	6.65	-40.45
CSCCC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250149	1	50	-1.0	-47.09	396.28	6.67	-40.42
COC1=CC(C)=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020250150	0	50	-1.0	-46.01	380.22	4.76	-41.25
COC1=CC(C)=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020250150	1	50	-1.0	-46.02	380.27	4.77	-41.25
CC(C)COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=N1	REAL300020250151	0	51	-1.0	-44.89	399.88	4.19	-40.70
CC(C)COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=N1	REAL300020250151	1	51	-1.0	-44.85	399.82	4.18	-40.67
CC(C)COC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250152	0	51	-1.0	-44.83	399.73	2.80	-42.03
CC(C)COC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250152	1	51	-1.0	-44.79	399.68	2.79	-42.00
CN(C)C1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250153	0	47	-1.0	-45.40	359.20	2.43	-42.97
CN(C)C1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250153	1	47	-1.0	-45.43	359.14	2.42	-43.01
CC1(C)CCC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2O1	REAL300020250154	0	54	-1.0	-49.01	402.61	5.80	-43.21
CC1(C)CCC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2O1	REAL300020250154	1	54	-1.0	-48.97	402.66	5.81	-43.16
COC1=CN=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250155	0	43	-1.0	-45.48	343.25	1.33	-44.15
COC1=CN=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250155	1	43	-1.0	-45.49	343.20	1.32	-44.17
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CS1	REAL300020250156	0	40	-1.0	-43.37	320.96	3.64	-39.73
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CS1	REAL300020250156	1	40	-1.0	-43.42	321.01	3.64	-39.78
O=C(NC1=C2CCCCN2N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250157	0	47	-1.0	-46.71	356.55	3.21	-43.50
O=C(NC1=C2CCCCN2N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250157	1	47	-1.0	-46.72	356.60	3.21	-43.51
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC(C)=N1	REAL300020250158	0	44	-1.0	-47.04	347.56	3.85	-43.19
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC(C)=N1	REAL300020250158	1	44	-1.0	-47.03	347.61	3.86	-43.17
CC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(N)=O	REAL300020250159	0	46	-1.0	-42.91	359.26	-0.53	-43.44
CC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(N)=O	REAL300020250159	1	46	-1.0	-42.91	359.32	-0.52	-43.43
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020250160	0	44	-1.0	-44.37	348.26	3.22	-41.15
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020250160	1	44	-1.0	-44.37	348.31	3.22	-41.15
N#CC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250161	0	41	-1.0	-42.53	340.42	4.27	-38.26
N#CC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250161	1	41	-1.0	-42.54	340.47	4.29	-38.25
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=NC=C2C=C1	REAL300020250162	0	48	-1.0	-48.92	370.75	5.15	-43.77
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=NC=C2C=C1	REAL300020250162	1	48	-1.0	-48.95	370.79	5.16	-43.79
O=C(NC1=CC=C2OC=CC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250163	0	43	-1.0	-46.15	340.21	4.12	-42.03
O=C(NC1=CC=C2OC=CC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250163	1	43	-1.0	-46.17	340.26	4.14	-42.03
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250164	0	40	-1.0	-46.77	315.25	1.59	-45.18
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250164	1	40	-1.0	-46.74	315.20	1.59	-45.15
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250165	0	47	-1.0	-43.55	375.08	6.18	-37.37
O=C(NC1=CC=NN1C1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250165	1	47	-1.0	-43.55	375.03	6.18	-37.37
O=C(NC1=CC(F)=C(F)C(F)=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250166	0	40	-1.0	-39.01	337.64	4.12	-34.89
O=C(NC1=CC(F)=C(F)C(F)=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250166	1	40	-1.0	-38.99	337.69	4.12	-34.87
O=C(NC1=CC=C(F)C(C(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250167	0	43	-1.0	-43.81	349.52	4.73	-39.08
O=C(NC1=CC=C(F)C(C(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250167	1	43	-1.0	-43.76	349.57	4.75	-39.01
O=C(NC1=NN(CCF)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250168	0	43	-1.0	-47.88	343.33	3.52	-44.36
O=C(NC1=NN(CCF)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250168	1	43	-1.0	-47.91	343.28	3.52	-44.39
NS(=O)(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020250169	0	42	-1.0	-47.00	359.09	-2.26	-49.26
NS(=O)(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020250169	1	42	-1.0	-46.98	359.14	-2.24	-49.22
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C#N	REAL300020250170	0	45	-1.0	-45.70	362.58	3.56	-42.14
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C#N	REAL300020250170	1	45	-1.0	-45.74	362.63	3.57	-42.17
CCC(F)(F)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250171	0	49	-1.0	-50.58	378.60	6.16	-44.42
CCC(F)(F)C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250171	1	49	-1.0	-50.59	378.65	6.18	-44.41
O=C(NC1=CC=CC2=NC=CN=C12)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250172	0	44	-1.0	-49.11	348.38	2.46	-46.65
O=C(NC1=CC=CC2=NC=CN=C12)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250172	1	44	-1.0	-49.09	348.34	2.45	-46.64
O=C(NC1=CC=NN1CC1CCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250173	0	50	-1.0	-42.68	381.77	5.48	-37.20
O=C(NC1=CC=NN1CC1CCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250173	1	50	-1.0	-42.71	381.72	5.47	-37.24
O=C(NC1=CN=CC(C(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250174	0	42	-1.0	-43.52	340.12	2.86	-40.66
O=C(NC1=CN=CC(C(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250174	1	42	-1.0	-43.47	340.07	2.84	-40.63
COC1=CC=CC(Cl)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250175	0	44	-1.0	-48.52	357.56	4.90	-43.62
COC1=CC=CC(Cl)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250175	1	44	-1.0	-48.49	357.62	4.91	-43.58
O=C(NC1=CC(F)=CC(OC(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250176	0	44	-1.0	-44.58	357.92	3.41	-41.17
O=C(NC1=CC(F)=CC(OC(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250176	1	44	-1.0	-44.55	357.98	3.41	-41.14
O=C(NC1=C(F)C=CC2=C1OCO2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250177	0	43	-1.0	-49.19	344.24	3.45	-45.74
O=C(NC1=C(F)C=CC2=C1OCO2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250177	1	43	-1.0	-49.14	344.29	3.47	-45.67
CN1N=NN=C1C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250178	0	48	-1.0	-56.51	379.49	3.61	-52.90
CN1N=NN=C1C1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250178	1	48	-1.0	-56.56	379.54	3.61	-52.95
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020250179	0	48	-1.0	-45.52	373.34	3.31	-42.21
CN(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020250179	1	48	-1.0	-45.55	373.39	3.31	-42.24
CC(F)(F)C1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250180	0	46	-1.0	-46.46	366.07	5.62	-40.84
CC(F)(F)C1=CC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250180	1	46	-1.0	-46.48	366.13	5.62	-40.86
CC(F)(F)C1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250181	0	46	-1.0	-46.95	361.32	5.44	-41.51
CC(F)(F)C1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250181	1	46	-1.0	-46.98	361.37	5.46	-41.52
COCC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC	REAL300020250182	0	51	-1.0	-45.65	393.98	3.01	-42.64
COCC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC	REAL300020250182	1	51	-1.0	-45.64	394.04	3.02	-42.62
CN1CCN2N=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020250183	0	49	-1.0	-48.96	372.52	1.63	-47.33
CN1CCN2N=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020250183	1	49	-1.0	-48.94	372.57	1.64	-47.30
COC1=CC=C(C2CC2)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250184	0	51	-1.0	-46.73	389.07	5.34	-41.39
COC1=CC=C(C2CC2)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250184	1	51	-1.0	-46.70	389.12	5.35	-41.35
O=C(NC1=CC=C(C2CC2)C=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250185	0	47	-1.0	-44.47	367.96	6.03	-38.44
O=C(NC1=CC=C(C2CC2)C=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250185	1	47	-1.0	-44.48	368.01	6.04	-38.44
O=C(NC1=CC=CC2=C1OCCCO2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250186	0	49	-1.0	-46.92	375.04	3.81	-43.11
O=C(NC1=CC=CC2=C1OCCCO2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250186	1	49	-1.0	-46.92	375.10	3.83	-43.09
COC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250187	0	44	-1.0	-44.17	346.43	0.44	-43.73
COC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250187	1	44	-1.0	-44.14	346.37	0.43	-43.71
CN1C(=O)COC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020250188	0	49	-1.0	-46.82	374.87	3.60	-43.22
CN1C(=O)COC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020250188	1	49	-1.0	-46.85	374.93	3.62	-43.23
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020250189	0	46	-1.0	-45.30	372.22	4.52	-40.78
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020250189	1	46	-1.0	-45.29	372.28	4.54	-40.75
N#CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250190	0	43	-1.0	-55.11	351.07	4.59	-50.52
N#CCC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250190	1	43	-1.0	-55.09	351.12	4.61	-50.48
N#CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C1CC1	REAL300020250191	0	48	-1.0	-47.48	381.17	6.16	-41.32
N#CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C1CC1	REAL300020250191	1	48	-1.0	-47.47	381.22	6.17	-41.30
COC1=CC=NC(OC)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250192	0	47	-1.0	-49.93	368.92	1.05	-48.88
COC1=CC=NC(OC)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250192	1	47	-1.0	-49.92	368.87	1.04	-48.88
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1C	REAL300020250193	0	45	-1.0	-44.24	346.65	3.21	-41.03
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1C	REAL300020250193	1	45	-1.0	-44.27	346.70	3.22	-41.05
CCC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020250194	0	53	-1.0	-53.15	410.69	5.25	-47.90
CCC(=O)N(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020250194	1	53	-1.0	-53.18	410.74	5.27	-47.91
CC(=O)C1=C(C)C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020250195	0	51	-1.0	-46.99	396.97	5.53	-41.46
CC(=O)C1=C(C)C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020250195	1	51	-1.0	-47.01	397.02	5.54	-41.47
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020250196	0	52	-1.0	-42.56	390.43	6.03	-36.53
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020250196	1	52	-1.0	-42.55	390.49	6.04	-36.51
O=C(NC1=CSC=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250197	0	37	-1.0	-43.36	317.13	3.36	-40.00
O=C(NC1=CSC=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250197	1	37	-1.0	-43.35	317.18	3.36	-39.99
CC1=CC(F)=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250198	0	44	-1.0	-42.68	357.36	5.14	-37.54
CC1=CC(F)=C(C#N)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250198	1	44	-1.0	-42.73	357.41	5.14	-37.59
O=C(NC1=CC=C2CCCCC2=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250199	0	49	-1.0	-47.53	372.30	5.98	-41.55
O=C(NC1=CC=C2CCCCC2=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250199	1	49	-1.0	-47.50	372.35	5.99	-41.51
CN(C)C1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250200	0	48	-1.0	-45.08	372.47	3.66	-41.42
CN(C)C1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250200	1	48	-1.0	-45.13	372.52	3.68	-41.45
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1N1CCCC1	REAL300020250201	0	55	-1.0	-44.57	403.79	4.90	-39.67
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1N1CCCC1	REAL300020250201	1	55	-1.0	-44.55	403.85	4.91	-39.64
O=C(NC1=CN=CC=C1C(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250202	0	42	-1.0	-46.05	343.22	3.22	-42.83
O=C(NC1=CN=CC=C1C(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250202	1	42	-1.0	-46.04	343.17	3.20	-42.84
O=C(NC1=CC=C2CC(=O)NC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250203	0	45	-1.0	-47.68	355.12	2.28	-45.40
O=C(NC1=CC=C2CC(=O)NC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250203	1	45	-1.0	-47.65	355.18	2.30	-45.35
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1OC	REAL300020250204	0	48	-1.0	-47.56	374.81	3.23	-44.33
COC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1OC	REAL300020250204	1	48	-1.0	-47.55	374.86	3.23	-44.32
CC1=CC(C)=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020250205	0	51	-1.0	-47.60	393.85	5.36	-42.24
CC1=CC(C)=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020250205	1	51	-1.0	-47.62	393.90	5.38	-42.24
O=C(NC1=CN=CC(Cl)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250206	0	39	-1.0	-42.24	323.99	2.52	-39.72
O=C(NC1=CN=CC(Cl)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250206	1	39	-1.0	-42.23	323.94	2.51	-39.72
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250207	0	41	-2.0	-103.19	338.50	1.37	-101.82
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250207	1	41	-2.0	-103.21	338.55	1.38	-101.83
CC1=NC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250207	1	42	-1.0	-43.81	339.38	2.45	-41.36
CC1=NC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250207	1	42	-1.0	-43.83	339.43	2.46	-41.37
CC1=NOC(C(C)C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250208	0	48	-1.0	-42.17	369.97	3.97	-38.20
CC1=NOC(C(C)C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250208	1	48	-1.0	-42.16	370.02	3.98	-38.18
O=C(NC1=CN(C2CCCC2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250209	0	50	-1.0	-45.51	378.20	4.20	-41.31
O=C(NC1=CN(C2CCCC2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250209	1	50	-1.0	-45.49	378.15	4.20	-41.29
COC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250210	0	44	-1.0	-44.17	346.43	0.44	-43.73
COC1=NN(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250210	1	44	-1.0	-44.14	346.37	0.43	-43.71
CN(C)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020250211	0	48	-1.0	-42.23	382.88	4.01	-38.22
CN(C)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020250211	1	48	-1.0	-42.23	382.94	4.02	-38.21
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020250212	0	43	-1.0	-45.50	348.61	4.93	-40.57
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020250212	1	43	-1.0	-45.49	348.66	4.94	-40.55
CC1CC(C)(C)C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020250213	0	56	-1.0	-45.37	413.40	7.80	-37.57
CC1CC(C)(C)C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020250213	1	56	-1.0	-45.37	413.45	7.80	-37.57
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250214	0	48	-1.0	-43.24	368.11	3.88	-39.36
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250214	1	48	-1.0	-43.22	368.16	3.89	-39.33
CC1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2S1	REAL300020250215	0	45	-1.0	-45.26	366.25	3.93	-41.33
CC1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2S1	REAL300020250215	1	45	-1.0	-45.23	366.30	3.94	-41.29
CC1=NC(C(N)=O)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250216	0	46	-1.0	-43.79	362.40	-0.27	-44.06
CC1=NC(C(N)=O)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250216	1	46	-1.0	-43.79	362.45	-0.27	-44.06
O=C(NC1=CC=C(C2=NOC=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250217	0	46	-1.0	-48.08	367.47	4.75	-43.33
O=C(NC1=CC=C(C2=NOC=C2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250217	1	46	-1.0	-48.16	367.42	4.74	-43.42
CC(C)C1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N2C=CC=CC2=N1	REAL300020250218	0	52	-1.0	-46.79	397.92	6.98	-39.81
CC(C)C1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N2C=CC=CC2=N1	REAL300020250218	1	52	-1.0	-46.80	397.97	7.00	-39.80
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020250219	0	50	-1.0	-46.22	386.73	5.39	-40.83
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020250219	1	50	-1.0	-46.25	386.78	5.38	-40.87
O=C(NC1=CC=CC(C2=NOC=C2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250220	0	46	-1.0	-55.33	367.87	4.74	-50.59
O=C(NC1=CC=CC(C2=NOC=C2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250220	1	46	-1.0	-55.33	367.82	4.73	-50.60
O=C(NC1=CC=NN1C1CCOC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250221	0	48	-1.0	-43.27	369.33	2.85	-40.42
O=C(NC1=CC=NN1C1CCOC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250221	1	48	-1.0	-43.27	369.28	2.84	-40.43
CC(CC(N)=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020250222	0	53	-1.0	-48.40	407.12	2.51	-45.89
CC(CC(N)=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020250222	1	53	-1.0	-48.42	407.18	2.53	-45.89
O=C(NC1=CN=C(F)C(Cl)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250223	0	39	-1.0	-40.70	330.70	2.49	-38.21
O=C(NC1=CN=C(F)C(Cl)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250223	1	39	-1.0	-40.66	330.64	2.48	-38.18
COC1=CC(Cl)=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250224	0	44	-1.0	-44.07	363.37	3.73	-40.34
COC1=CC(Cl)=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250224	1	44	-1.0	-44.08	363.42	3.74	-40.34
COC(=O)C1=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020250225	0	48	-1.0	-50.46	380.96	4.65	-45.81
COC(=O)C1=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020250225	1	48	-1.0	-50.44	380.91	4.64	-45.80
O=C(NC1=CN(C2CCC2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250226	0	47	-1.0	-45.93	360.70	3.52	-42.41
O=C(NC1=CN(C2CCC2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250226	1	47	-1.0	-45.99	360.64	3.53	-42.46
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Cl)=N1	REAL300020250227	0	42	-1.0	-43.83	345.68	3.05	-40.78
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Cl)=N1	REAL300020250227	1	42	-1.0	-43.84	345.74	3.07	-40.77
CC(C)(C)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250228	0	53	-1.0	-49.31	394.28	4.89	-44.42
CC(C)(C)OC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250228	1	53	-1.0	-49.32	394.32	4.92	-44.40
COC(=O)C1=CC(C)=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250229	0	49	-1.0	-46.15	389.35	5.14	-41.01
COC(=O)C1=CC(C)=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250229	1	49	-1.0	-46.09	389.40	5.16	-40.93
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020250230	0	46	-1.0	-44.23	372.41	4.51	-39.72
COC(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020250230	1	46	-1.0	-44.23	372.47	4.52	-39.71
C=CCN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020250231	0	50	-1.0	-47.84	396.09	5.14	-42.70
C=CCN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020250231	1	50	-1.0	-47.78	396.03	5.13	-42.65
O=C(NC1=CC=C(C(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250232	0	43	-1.0	-44.04	347.30	4.74	-39.30
O=C(NC1=CC=C(C(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250232	1	43	-1.0	-44.03	347.36	4.75	-39.28
CC1CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020250233	0	48	-1.0	-45.04	369.19	4.35	-40.69
CC1CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020250233	1	48	-1.0	-45.05	369.24	4.36	-40.69
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020250234	0	42	-1.0	-44.03	355.03	5.65	-38.38
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020250234	1	42	-1.0	-44.02	355.08	5.65	-38.37
CC(C)C1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250235	0	48	-1.0	-43.60	367.64	3.89	-39.71
CC(C)C1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250235	1	48	-1.0	-43.62	367.59	3.88	-39.74
CC(C)N1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250236	0	46	-1.0	-46.17	355.55	2.93	-43.24
CC(C)N1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250236	1	46	-1.0	-46.14	355.50	2.93	-43.21
CCC1=NC(OC)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250237	0	49	-1.0	-42.75	378.88	2.11	-40.64
CCC1=NC(OC)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250237	1	49	-1.0	-42.78	378.93	2.12	-40.66
CN1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1=O	REAL300020250238	0	48	-1.0	-53.38	376.88	3.64	-49.74
CN1CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1=O	REAL300020250238	1	48	-1.0	-53.41	376.93	3.65	-49.76
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC(F)F	REAL300020250239	0	47	-1.0	-47.22	371.57	4.07	-43.15
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC(F)F	REAL300020250239	1	47	-1.0	-47.30	371.63	4.09	-43.21
CC1=CC(OC(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250240	0	47	-1.0	-46.10	369.87	4.30	-41.80
CC1=CC(OC(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250240	1	47	-1.0	-46.12	369.92	4.30	-41.82
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020250241	0	49	-1.0	-43.91	388.00	6.37	-37.54
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020250241	1	49	-1.0	-43.88	388.05	6.38	-37.50
O=C(NC1=CC=C2CCCNC(=O)C2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250242	0	51	-1.0	-48.76	389.38	2.89	-45.87
O=C(NC1=CC=C2CCCNC(=O)C2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250242	1	51	-1.0	-48.74	389.43	2.91	-45.83
CCC1=CC(OC)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020250243	0	53	-1.0	-47.58	401.77	5.13	-42.45
CCC1=CC(OC)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020250243	1	53	-1.0	-47.56	401.82	5.13	-42.43
O=C(NC1=CC=C(OCCF)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250244	0	47	-1.0	-46.23	371.09	4.19	-42.04
O=C(NC1=CC=C(OCCF)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250244	1	47	-1.0	-46.21	371.14	4.20	-42.01
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=NO1	REAL300020250245	0	48	-1.0	-47.26	385.35	3.12	-44.14
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=NO1	REAL300020250245	1	48	-1.0	-47.31	385.30	3.12	-44.19
CC1=CC(C(F)(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250246	0	46	-1.0	-41.47	369.33	5.72	-35.75
CC1=CC(C(F)(F)F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250246	1	46	-1.0	-41.47	369.39	5.73	-35.74
O=C(NC1=NN2CCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250247	0	44	-1.0	-51.18	338.73	3.35	-47.83
O=C(NC1=NN2CCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250247	1	44	-1.0	-51.19	338.79	3.36	-47.83
COC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250248	0	46	-1.0	-50.35	373.55	4.60	-45.75
COC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250248	1	46	-1.0	-50.37	373.60	4.61	-45.76
CC1=NC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250249	0	41	-1.0	-42.20	320.53	2.67	-39.53
CC1=NC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250249	1	41	-1.0	-42.19	320.58	2.67	-39.52
CN1N=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(F)F	REAL300020250250	0	42	-1.0	-51.85	339.62	2.26	-49.59
CN1N=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(F)F	REAL300020250250	1	42	-1.0	-51.85	339.66	2.26	-49.59
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250251	0	51	-1.0	-43.25	387.28	4.65	-38.60
CC(C)(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250251	1	51	-1.0	-43.26	387.23	4.65	-38.61
O=C(NC1=CC2=C(C=N1)CCCCC2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250252	0	52	-1.0	-47.36	387.19	6.42	-40.94
O=C(NC1=CC2=C(C=N1)CCCCC2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250252	1	52	-1.0	-47.36	387.24	6.43	-40.93
O=C(NC1=CC=NN1C1CCCOC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250253	0	51	-1.0	-44.35	387.99	3.62	-40.73
O=C(NC1=CC=NN1C1CCCOC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250253	1	51	-1.0	-44.33	387.94	3.62	-40.71
O=C(NC1=CC=NN1C1CCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250254	0	47	-1.0	-43.18	361.30	4.74	-38.44
O=C(NC1=CC=NN1C1CCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250254	1	47	-1.0	-43.17	361.25	4.74	-38.43
O=C([N-]C1=NC(C(F)F)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250255	0	38	-2.0	-100.39	329.75	1.70	-98.69
O=C([N-]C1=NC(C(F)F)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250255	1	38	-2.0	-100.44	329.80	1.70	-98.74
O=C(NC1=NC(C(F)F)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250255	1	39	-1.0	-44.74	331.54	2.91	-41.83
O=C(NC1=NC(C(F)F)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250255	1	39	-1.0	-44.75	331.59	2.92	-41.83
O=C(NC1=CC=NN1C1CCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250256	0	47	-1.0	-43.18	361.30	4.74	-38.44
O=C(NC1=CC=NN1C1CCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250256	1	47	-1.0	-43.17	361.25	4.74	-38.43
C=C(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250257	0	47	-1.0	-44.65	369.18	5.72	-38.93
C=C(C)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250257	1	47	-1.0	-44.67	369.23	5.73	-38.94
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1C(F)F	REAL300020250258	0	45	-1.0	-42.74	357.15	3.37	-39.37
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1C(F)F	REAL300020250258	1	45	-1.0	-42.74	357.20	3.39	-39.35
O=C(NC1=CC=NN1C1CCOCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250259	0	51	-1.0	-43.19	388.00	3.60	-39.59
O=C(NC1=CC=NN1C1CCOCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250259	1	51	-1.0	-43.16	387.95	3.59	-39.57
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020250260	0	42	-1.0	-44.42	340.04	4.96	-39.46
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020250260	1	42	-1.0	-44.40	340.09	4.98	-39.42
CN1N=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)F	REAL300020250261	0	43	-1.0	-48.12	344.36	3.20	-44.92
CN1N=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)F	REAL300020250261	1	43	-1.0	-48.10	344.41	3.21	-44.89
COC1=NC(C(N)=O)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250262	0	47	-1.0	-45.60	376.06	-2.40	-48.00
COC1=NC(C(N)=O)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250262	1	47	-1.0	-45.61	376.01	-2.40	-48.01
COC(=O)C1=CN(C)N=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250263	0	46	-1.0	-57.82	371.31	3.58	-54.24
COC(=O)C1=CN(C)N=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250263	1	46	-1.0	-57.79	371.26	3.57	-54.22
O=C(NC1=CN=C2C(=C1)CNC2=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250264	0	44	-1.0	-48.49	350.18	-0.51	-49.00
O=C(NC1=CN=C2C(=C1)CNC2=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250264	1	44	-1.0	-48.47	350.22	-0.50	-48.97
CCN1C=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250265	0	42	-1.0	-52.60	334.16	5.83	-46.77
CCN1C=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250265	1	42	-1.0	-52.57	334.11	5.82	-46.75
O=C(NC1=CC=NN1C1CC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250266	0	44	-1.0	-43.61	345.03	4.11	-39.50
O=C(NC1=CC=NN1C1CC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250266	1	44	-1.0	-43.57	344.98	4.11	-39.46
O=C(NC1=NN(C(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250267	0	40	-1.0	-47.43	327.71	2.70	-44.73
O=C(NC1=NN(C(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250267	1	40	-1.0	-47.35	327.66	2.70	-44.65
CCCC1=NC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250268	0	47	-1.0	-46.82	368.86	4.63	-42.19
CCCC1=NC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250268	1	47	-1.0	-46.91	368.91	4.64	-42.27
COCCN1C=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250269	0	46	-1.0	-51.19	367.83	4.88	-46.31
COCCN1C=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250269	1	46	-1.0	-51.16	367.78	4.87	-46.29
CN1CCOC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020250270	0	50	-1.0	-45.46	375.13	3.01	-42.45
CN1CCOC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020250270	1	50	-1.0	-45.46	375.18	3.03	-42.43
O=C(NC1=CN2N=CC=C2N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250271	0	42	-1.0	-44.96	338.69	2.71	-42.25
O=C(NC1=CN2N=CC=C2N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250271	1	42	-1.0	-44.94	338.64	2.70	-42.24
COCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250272	0	45	-2.0	-107.49	374.05	1.95	-105.54
COCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250272	1	45	-2.0	-107.47	373.99	1.94	-105.53
COCCC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250272	1	46	-1.0	-44.76	376.64	3.13	-41.63
COCCC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250272	1	46	-1.0	-44.76	376.59	3.11	-41.65
CN1N=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020250273	0	46	-1.0	-50.17	365.01	5.04	-45.13
CN1N=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020250273	1	46	-1.0	-50.17	364.96	5.03	-45.14
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC(F)F)=C1	REAL300020250274	0	47	-1.0	-46.80	372.83	4.20	-42.60
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC(F)F)=C1	REAL300020250274	1	47	-1.0	-46.83	372.88	4.20	-42.63
CC1=CC=C(OC(F)F)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250275	0	47	-1.0	-46.94	372.82	4.20	-42.74
CC1=CC=C(OC(F)F)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250275	1	47	-1.0	-46.97	372.89	4.20	-42.77
CN1C=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C=N1	REAL300020250276	0	50	-1.0	-48.33	393.28	5.11	-43.22
CN1C=C(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C=N1	REAL300020250276	1	50	-1.0	-48.34	393.22	5.10	-43.24
CCCCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020250277	0	54	-1.0	-44.02	410.76	5.89	-38.13
CCCCC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020250277	1	54	-1.0	-44.06	410.81	5.89	-38.17
O=C(NC1=NOC2=C1CCCC2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250278	0	46	-1.0	-48.56	353.57	5.11	-43.45
O=C(NC1=NOC2=C1CCCC2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250278	1	46	-1.0	-48.58	353.62	5.11	-43.47
O=C(NC1=CC=C2CCOC(=O)C2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250279	0	47	-1.0	-51.89	368.65	4.78	-47.11
O=C(NC1=CC=C2CCOC(=O)C2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250279	1	47	-1.0	-51.94	368.70	4.80	-47.14
CCC1=NN(C)C(CC)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250280	0	52	-1.0	-46.53	393.91	4.00	-42.53
CCC1=NN(C)C(CC)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250280	1	52	-1.0	-46.52	393.96	4.01	-42.51
CCC1=CC=CC(OC)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250281	0	50	-1.0	-48.73	381.42	5.94	-42.79
CCC1=CC=CC(OC)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250281	1	50	-1.0	-48.73	381.48	5.95	-42.78
CCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250282	0	47	-1.0	-47.44	369.92	4.24	-43.20
CCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250282	1	47	-1.0	-47.50	369.98	4.24	-43.26
O=C(NC1=CN=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250283	0	39	-1.0	-40.94	320.79	2.06	-38.88
O=C(NC1=CN=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250283	1	39	-1.0	-40.94	320.74	2.05	-38.89
CCCCC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250284	0	54	-1.0	-44.40	410.98	5.88	-38.52
CCCCC1=CC(C)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250284	1	54	-1.0	-44.37	411.04	5.88	-38.49
CN1C=C(C2=CC=NC=C2NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250285	0	49	-1.0	-53.01	388.16	3.67	-49.34
CN1C=C(C2=CC=NC=C2NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250285	1	49	-1.0	-53.04	388.11	3.66	-49.38
O=C(NC1=CC=CC=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250286	0	40	-1.0	-44.82	327.79	4.45	-40.37
O=C(NC1=CC=CC=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250286	1	40	-1.0	-44.85	327.84	4.46	-40.39
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020250287	0	45	-1.0	-48.30	362.76	5.16	-43.14
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020250287	1	45	-1.0	-48.32	362.81	5.18	-43.14
CC1=CN=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250288	0	42	-1.0	-44.94	335.14	2.71	-42.23
CC1=CN=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250288	1	42	-1.0	-44.97	335.09	2.70	-42.27
O=C(NC1=NN2CCC(=O)NC2=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250289	0	44	-1.0	-50.50	350.90	4.79	-45.71
O=C(NC1=NN2CCC(=O)NC2=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250289	1	44	-1.0	-50.46	350.85	4.78	-45.68
CCC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020250290	0	48	-1.0	-44.98	379.94	5.11	-39.87
CCC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020250290	1	48	-1.0	-45.01	379.99	5.13	-39.88
CC1=NC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250291	0	42	-1.0	-41.99	331.92	2.86	-39.13
CC1=NC(F)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250291	1	42	-1.0	-42.00	331.97	2.86	-39.14
O=C(NC1=CC=CC(C(F)(F)CF)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250292	0	46	-1.0	-46.66	372.58	5.52	-41.14
O=C(NC1=CC=CC(C(F)(F)CF)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250292	1	46	-1.0	-46.67	372.64	5.53	-41.14
CC1(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)CC1	REAL300020250293	0	50	-1.0	-44.44	379.26	6.32	-38.12
CC1(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)CC1	REAL300020250293	1	50	-1.0	-44.44	379.31	6.33	-38.11
CC1(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC1	REAL300020250294	0	50	-1.0	-43.96	378.78	6.34	-37.62
CC1(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC1	REAL300020250294	1	50	-1.0	-43.94	378.84	6.34	-37.60
CC1(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020250295	0	50	-1.0	-45.00	381.76	6.70	-38.30
CC1(C2=CC=CC=C2NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020250295	1	50	-1.0	-44.96	381.81	6.72	-38.24
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2C=C1	REAL300020250296	0	49	-1.0	-46.60	374.43	7.01	-39.59
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2C=C1	REAL300020250296	1	49	-1.0	-46.66	374.49	7.02	-39.64
O=C(NC1=CN=CC(C(F)(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250297	0	42	-1.0	-41.76	346.67	2.99	-38.77
O=C(NC1=CN=CC(C(F)(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250297	1	42	-1.0	-41.75	346.62	2.97	-38.78
COC(=O)C1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250298	0	45	-1.0	-45.46	362.77	2.67	-42.79
COC(=O)C1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250298	1	45	-1.0	-45.43	362.71	2.66	-42.77
CN1N=C(C2CC2)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250299	0	47	-1.0	-44.17	365.19	4.60	-39.57
CN1N=C(C2CC2)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250299	1	47	-1.0	-44.14	365.24	4.60	-39.54
O=C(NC1=CC=CC=C1C1CCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250300	0	50	-1.0	-45.31	374.48	6.61	-38.70
O=C(NC1=CC=CC=C1C1CCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250300	1	50	-1.0	-45.26	374.54	6.62	-38.64
CC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020250301	0	46	-1.0	-45.60	356.96	5.09	-40.51
CC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020250301	1	46	-1.0	-45.63	357.01	5.10	-40.53
CC(C)OC1=CC(C#N)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250302	0	51	-1.0	-44.12	402.21	5.19	-38.93
CC(C)OC1=CC(C#N)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250302	1	51	-1.0	-44.09	402.26	5.19	-38.90
CCCN1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250303	0	46	-1.0	-43.32	356.91	4.10	-39.22
CCCN1N=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250303	1	46	-1.0	-43.33	356.85	4.09	-39.24
O=C(NC1=CC=CC(C(=O)C(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250304	0	45	-1.0	-45.47	365.72	4.55	-40.92
O=C(NC1=CC=CC(C(=O)C(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250304	1	45	-1.0	-45.49	365.78	4.56	-40.93
COC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250305	0	44	-1.0	-47.51	341.65	3.23	-44.28
COC1=CC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250305	1	44	-1.0	-47.55	341.70	3.23	-44.32
O=C(NC1=CC=CC2=CC(F)=CC=C21)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250306	0	46	-1.0	-44.23	362.77	6.30	-37.93
O=C(NC1=CC=CC2=CC(F)=CC=C21)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250306	1	46	-1.0	-44.24	362.83	6.31	-37.93
CC(C)C1=CC=C(C(C)C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250307	0	58	-1.0	-46.16	430.09	7.88	-38.28
CC(C)C1=CC=C(C(C)C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250307	1	58	-1.0	-46.17	430.14	7.88	-38.29
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=N1	REAL300020250308	0	42	-1.0	-44.48	343.57	3.14	-41.34
CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=N1	REAL300020250308	1	42	-1.0	-44.50	343.63	3.15	-41.35
O=C(NC1=CC=C2CCOC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250309	0	45	-1.0	-45.29	349.01	3.68	-41.61
O=C(NC1=CC=C2CCOC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250309	1	45	-1.0	-45.32	349.07	3.69	-41.63
CCC1=CON=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250310	0	42	-1.0	-48.64	333.59	3.86	-44.78
CCC1=CON=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250310	1	42	-1.0	-48.59	333.53	3.83	-44.76
CN1C=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=N1	REAL300020250311	0	50	-1.0	-52.94	393.33	5.13	-47.81
CN1C=C(C2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=N1	REAL300020250311	1	50	-1.0	-52.94	393.28	5.12	-47.82
CC(C)(C)C(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250312	0	54	-1.0	-50.20	405.62	5.88	-44.32
CC(C)(C)C(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250312	1	54	-1.0	-50.19	405.67	5.88	-44.31
O=C(NC1=CC=CC=C1C1=NC=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250313	0	46	-1.0	-49.52	371.20	5.50	-44.02
O=C(NC1=CC=CC=C1C1=NC=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250313	1	46	-1.0	-49.51	371.15	5.49	-44.02
CC1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020250314	0	43	-1.0	-49.43	345.26	4.60	-44.83
CC1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020250314	1	43	-1.0	-49.45	345.32	4.60	-44.85
O=C(NC1=CC=C2OC=CC(=O)C2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250315	0	45	-1.0	-53.29	359.47	3.87	-49.42
O=C(NC1=CC=C2OC=CC(=O)C2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250315	1	45	-1.0	-53.30	359.53	3.90	-49.40
CC1=NN2C=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=NC2=C1	REAL300020250316	0	45	-1.0	-45.23	360.57	3.29	-41.94
CC1=NN2C=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=NC2=C1	REAL300020250316	1	45	-1.0	-45.19	360.62	3.30	-41.89
CC1(C)OC(=O)C2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020250317	0	50	-1.0	-47.14	393.44	5.52	-41.62
CC1(C)OC(=O)C2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020250317	1	50	-1.0	-47.12	393.49	5.54	-41.58
CN1C=C(C2=CC=NC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=N1	REAL300020250318	0	49	-1.0	-53.37	389.83	4.82	-48.55
CN1C=C(C2=CC=NC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=N1	REAL300020250318	1	49	-1.0	-53.36	389.78	4.80	-48.56
O=C(NC1=CC=C2CCCC(=O)NC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250319	0	51	-1.0	-47.45	388.60	3.95	-43.50
O=C(NC1=CC=C2CCCC(=O)NC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250319	1	51	-1.0	-47.47	388.65	3.97	-43.50
O=C(NC1=CC=CC(CF)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250320	0	43	-1.0	-47.04	341.15	4.64	-42.40
O=C(NC1=CC=CC(CF)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250320	1	43	-1.0	-47.03	341.20	4.66	-42.37
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CN=CC=C12	REAL300020250321	0	49	-1.0	-45.65	380.03	3.79	-41.86
COC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CN=CC=C12	REAL300020250321	1	49	-1.0	-45.66	379.98	3.78	-41.88
O=C(NC1=CC=C(C2CCCC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250322	0	53	-1.0	-43.90	396.46	7.06	-36.84
O=C(NC1=CC=C(C2CCCC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250322	1	53	-1.0	-43.85	396.52	7.06	-36.79
CCC1=C(C)N=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250323	0	44	-2.0	-111.37	359.07	3.35	-108.02
CCC1=C(C)N=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250323	1	44	-2.0	-111.42	359.12	3.35	-108.07
CCC1=C(C)N=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250323	1	45	-1.0	-46.79	361.69	4.48	-42.31
CCC1=C(C)N=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250323	1	45	-1.0	-46.81	361.74	4.48	-42.33
CCC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020250324	0	45	-1.0	-43.47	349.87	3.52	-39.95
CCC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020250324	1	45	-1.0	-43.42	349.93	3.53	-39.89
CNC(=O)CN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250325	0	47	-1.0	-62.53	374.15	1.11	-61.42
CNC(=O)CN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250325	1	47	-1.0	-62.53	374.09	1.10	-61.43
CC1=C2N=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN2N=C1	REAL300020250326	0	45	-1.0	-45.68	360.17	3.33	-42.35
CC1=C2N=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN2N=C1	REAL300020250326	1	45	-1.0	-45.70	360.12	3.33	-42.37
O=C(NC1=CN(CC2CCC2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250327	0	50	-1.0	-46.44	384.78	4.48	-41.96
O=C(NC1=CN(CC2CCC2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250327	1	50	-1.0	-46.39	384.73	4.48	-41.91
O=C(NC1=CC2=CC(F)=CC=C2N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250328	0	45	-1.0	-43.83	360.05	4.25	-39.58
O=C(NC1=CC2=CC(F)=CC=C2N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250328	1	45	-1.0	-43.80	360.00	4.23	-39.57
COCC1=C(C)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250329	0	50	-1.0	-45.48	381.29	4.32	-41.16
COCC1=C(C)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250329	1	50	-1.0	-45.47	381.34	4.33	-41.14
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)F)=N1	REAL300020250330	0	43	-1.0	-47.85	346.31	2.55	-45.30
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)F)=N1	REAL300020250330	1	43	-1.0	-47.82	346.36	2.56	-45.26
O=C(NC1=CC(Cl)=C(F)C=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250331	0	40	-1.0	-41.21	341.35	4.50	-36.71
O=C(NC1=CC(Cl)=C(F)C=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250331	1	40	-1.0	-41.18	341.40	4.50	-36.68
CCC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250332	0	45	-1.0	-43.89	346.70	3.65	-40.24
CCC1=NC=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250332	1	45	-1.0	-43.93	346.75	3.66	-40.27
O=C(NC1=CC=CN=C1C1=CC=CN=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250333	0	48	-1.0	-50.02	376.66	4.29	-45.73
O=C(NC1=CC=CN=C1C1=CC=CN=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250333	1	48	-1.0	-50.02	376.60	4.28	-45.74
O=C(NC1=CN=C2OCOC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250334	0	42	-1.0	-45.03	334.13	-0.54	-45.57
O=C(NC1=CN=C2OCOC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250334	1	42	-1.0	-45.00	334.07	-0.55	-45.55
O=C(NC1=NN(C2CC2(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250335	0	44	-1.0	-52.07	358.15	4.30	-47.77
O=C(NC1=NN(C2CC2(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250335	1	44	-1.0	-52.05	358.10	4.29	-47.76
CCCC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250336	0	51	-1.0	-50.65	397.46	5.88	-44.77
CCCC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250336	1	51	-1.0	-50.66	397.51	5.89	-44.77
CCCCC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020250337	0	53	-1.0	-42.50	406.87	4.80	-37.70
CCCCC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020250337	1	53	-1.0	-42.51	406.92	4.80	-37.71
CCC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250338	0	48	-1.0	-54.62	381.82	5.23	-49.39
CCC(=O)C1=CC=C(F)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250338	1	48	-1.0	-54.63	381.88	5.23	-49.40
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250339	0	45	-1.0	-44.93	365.75	4.54	-40.39
O=C(NC1=CC=C(C(=O)C(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250339	1	45	-1.0	-44.92	365.80	4.55	-40.37
O=C(NC1=CN(C2CC2(F)F)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250340	0	44	-1.0	-45.61	355.38	3.16	-42.45
O=C(NC1=CN(C2CC2(F)F)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250340	1	44	-1.0	-45.60	355.33	3.15	-42.45
COCC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250341	0	47	-1.0	-44.34	369.60	3.81	-40.53
COCC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250341	1	47	-1.0	-44.33	369.65	3.82	-40.51
O=C(NC1=CC2=CC=NC=C2C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250342	0	45	-1.0	-45.21	354.07	4.36	-40.85
O=C(NC1=CC2=CC=NC=C2C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250342	1	45	-1.0	-45.21	354.02	4.35	-40.86
O=C(NC1=C2C=COC2=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250343	0	42	-1.0	-48.48	336.31	3.82	-44.66
O=C(NC1=C2C=COC2=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250343	1	42	-1.0	-48.48	336.26	3.82	-44.66
O=C(NC1=CC=C2OCCNC(=O)C2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250344	0	49	-1.0	-50.27	381.26	1.05	-49.22
O=C(NC1=CC=C2OCCNC(=O)C2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250344	1	49	-1.0	-50.24	381.31	1.06	-49.18
O=C(NC1=CN=CC2=C1CCC2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250345	0	46	-1.0	-46.51	353.09	3.94	-42.57
O=C(NC1=CN=CC2=C1CCC2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250345	1	46	-1.0	-46.54	353.14	3.94	-42.60
O=C(NC1=CC=CC(C2CC2(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250346	0	47	-1.0	-46.01	373.24	6.01	-40.00
O=C(NC1=CC=CC(C2CC2(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250346	1	47	-1.0	-46.05	373.30	6.03	-40.02
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2N=C1C	REAL300020250347	0	50	-1.0	-47.69	388.01	3.40	-44.29
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2N=C1C	REAL300020250347	1	50	-1.0	-47.66	388.07	3.42	-44.24
CC(C)N1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020250348	0	45	-1.0	-46.89	349.73	2.63	-44.26
CC(C)N1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020250348	1	45	-1.0	-46.86	349.68	2.63	-44.23
CCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020250349	0	42	-1.0	-47.43	330.77	2.20	-45.23
CCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020250349	1	42	-1.0	-47.41	330.72	2.18	-45.23
O=C(NC1=CC(Cl)=C2OCOC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250350	0	43	-1.0	-43.85	355.99	3.00	-40.85
O=C(NC1=CC(Cl)=C2OCOC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250350	1	43	-1.0	-43.86	356.04	3.02	-40.84
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1C	REAL300020250351	0	48	-1.0	-43.53	379.46	3.19	-40.34
COC(=O)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1C	REAL300020250351	1	48	-1.0	-43.54	379.52	3.21	-40.33
O=C(NC1=CC=C2OCC(=O)NC2=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250352	0	45	-1.0	-50.20	360.05	1.60	-48.60
O=C(NC1=CC=C2OCC(=O)NC2=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250352	1	45	-1.0	-50.22	360.00	1.59	-48.63
O=C(NC1=CC=NN1C1CCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250353	0	50	-1.0	-43.15	378.52	5.47	-37.68
O=C(NC1=CC=NN1C1CCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250353	1	50	-1.0	-43.15	378.47	5.47	-37.68
CCCC1=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020250354	0	48	-1.0	-47.66	375.20	5.43	-42.23
CCCC1=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020250354	1	48	-1.0	-47.71	375.26	5.44	-42.27
COCC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020250355	0	47	-1.0	-43.89	381.00	4.21	-39.68
COCC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020250355	1	47	-1.0	-43.86	381.05	4.22	-39.64
C=CCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250356	0	44	-1.0	-46.49	349.58	3.01	-43.48
C=CCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250356	1	44	-1.0	-46.47	349.53	3.01	-43.46
O=C(NC1=CC=C2CCOCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250357	0	48	-1.0	-45.83	365.99	3.85	-41.98
O=C(NC1=CC=C2CCOCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250357	1	48	-1.0	-45.85	366.04	3.87	-41.98
O=C(NC1=NOC2=C1CCCCC2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250358	0	49	-1.0	-47.98	367.63	5.59	-42.39
O=C(NC1=NOC2=C1CCCCC2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250358	1	49	-1.0	-48.01	367.68	5.58	-42.43
O=C(NC1=NN(C2CCNC2=O)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250359	0	48	-1.0	-51.53	376.67	0.92	-50.61
O=C(NC1=NN(C2CCNC2=O)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250359	1	48	-1.0	-51.51	376.62	0.91	-50.60
COC(=O)C1=CSC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250360	0	46	-1.0	-50.70	376.20	4.46	-46.24
COC(=O)C1=CSC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250360	1	46	-1.0	-50.74	376.25	4.48	-46.26
CCN1N=C(C(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250361	0	55	-1.0	-43.73	417.40	5.86	-37.87
CCN1N=C(C(C)(C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250361	1	55	-1.0	-43.77	417.35	5.86	-37.91
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250362	0	51	-1.0	-50.94	395.59	3.29	-47.65
O=C(NC1=CC=C(C2CCC(=O)N2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250362	1	51	-1.0	-50.90	395.64	3.31	-47.59
O=C(NC1=CN(C2CCNC2=O)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250363	0	48	-1.0	-53.12	376.81	-0.06	-53.18
O=C(NC1=CN(C2CCNC2=O)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250363	1	48	-1.0	-53.17	376.76	-0.06	-53.23
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250364	0	48	-1.0	-46.25	377.09	5.30	-40.95
O=C(NC1=CC=CC(C2=CN=CN=C2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250364	1	48	-1.0	-46.24	377.04	5.29	-40.95
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250365	0	49	-1.0	-50.04	381.53	5.43	-44.61
O=C(NC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250365	1	49	-1.0	-49.99	381.48	5.42	-44.57
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1OC(F)F	REAL300020250366	0	46	-1.0	-47.05	371.10	2.00	-45.05
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1OC(F)F	REAL300020250366	1	46	-1.0	-47.13	371.05	2.00	-45.13
O=C(NC1=CN=C(Cl)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250367	0	39	-1.0	-40.73	330.80	2.54	-38.19
O=C(NC1=CN=C(Cl)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250367	1	39	-1.0	-40.72	330.76	2.52	-38.20
O=C(NC1=CC=CC=C1C1CC1(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250368	0	47	-1.0	-45.78	370.84	6.24	-39.54
O=C(NC1=CC=CC=C1C1CC1(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250368	1	47	-1.0	-45.78	370.89	6.24	-39.54
O=C(NC1=CC(C(F)F)=C(Cl)C=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250369	0	42	-1.0	-45.69	354.24	4.76	-40.93
O=C(NC1=CC(C(F)F)=C(Cl)C=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250369	1	42	-1.0	-45.72	354.29	4.77	-40.95
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250370	0	42	-2.0	-113.92	342.79	3.30	-110.62
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250370	1	42	-2.0	-113.96	342.84	3.30	-110.66
O=C(NC1=NC2=C(CCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250370	1	43	-1.0	-48.21	345.39	4.42	-43.79
O=C(NC1=NC2=C(CCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250370	1	43	-1.0	-48.18	345.45	4.43	-43.75
CCC1=CC(C#N)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250371	0	47	-1.0	-42.69	371.56	5.90	-36.79
CCC1=CC(C#N)=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250371	1	47	-1.0	-42.68	371.60	5.90	-36.78
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=NSN=C2C=C1	REAL300020250372	0	44	-1.0	-47.62	354.13	3.53	-44.09
CC1=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=NSN=C2C=C1	REAL300020250372	1	44	-1.0	-47.63	354.17	3.55	-44.08
C#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250373	0	41	-1.0	-50.91	336.48	4.52	-46.39
C#CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250373	1	41	-1.0	-50.91	336.53	4.54	-46.37
C#CC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250374	0	41	-1.0	-44.77	335.04	3.19	-41.58
C#CC1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250374	1	41	-1.0	-44.82	335.09	3.19	-41.63
O=C(NC1=CN(C2CCOC2)N=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250375	0	47	-1.0	-45.81	362.92	1.35	-44.46
O=C(NC1=CN(C2CCOC2)N=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250375	1	47	-1.0	-45.79	362.87	1.35	-44.44
O=C(NC1=CC=C(C2CC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250376	0	47	-1.0	-44.04	361.98	5.88	-38.16
O=C(NC1=CC=C(C2CC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250376	1	47	-1.0	-44.03	362.03	5.89	-38.14
CC(C)C(NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020250377	0	45	-1.0	-41.08	349.88	3.55	-37.53
CC(C)C(NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020250377	1	45	-1.0	-41.08	349.93	3.58	-37.50
CCC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250378	0	47	-2.0	-108.29	374.30	3.37	-104.92
CCC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250378	1	47	-2.0	-108.29	374.35	3.37	-104.92
CCC(C)C1=CSC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250378	1	48	-1.0	-44.30	376.89	4.54	-39.76
CCC(C)C1=CSC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250378	1	48	-1.0	-44.36	376.94	4.55	-39.81
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020250379	0	47	-1.0	-44.52	361.82	3.82	-40.70
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020250379	1	47	-1.0	-44.50	361.87	3.82	-40.68
O=C(NC1=C(Cl)C=CC2=NC=CC=C21)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250380	0	45	-1.0	-47.04	368.10	5.04	-42.00
O=C(NC1=C(Cl)C=CC2=NC=CC=C21)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250380	1	45	-1.0	-47.04	368.15	5.03	-42.01
O=C(NC1=CC2=NSN=C2C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250381	0	41	-1.0	-43.70	337.32	2.17	-41.53
O=C(NC1=CC2=NSN=C2C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250381	1	41	-1.0	-43.66	337.28	2.17	-41.49
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250382	0	49	-1.0	-47.94	390.70	5.20	-42.74
O=C(NC1=CN(CC2=CC=CC=C2)N=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250382	1	49	-1.0	-47.90	390.65	5.18	-42.72
C#CCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250383	0	42	-1.0	-48.18	342.53	2.96	-45.22
C#CCN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250383	1	42	-1.0	-48.22	342.48	2.95	-45.27
COC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250384	0	44	-1.0	-44.77	351.81	3.40	-41.37
COC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250384	1	44	-1.0	-44.80	351.86	3.41	-41.39
CC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020250385	0	45	-1.0	-48.59	347.93	4.70	-43.89
CC1=CN=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020250385	1	45	-1.0	-48.56	347.98	4.71	-43.85
O=C(NC1=CC=C(C2=CNN=C2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250386	0	47	-1.0	-47.62	370.27	3.79	-43.83
O=C(NC1=CC=C(C2=CNN=C2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250386	1	47	-1.0	-47.65	370.33	3.80	-43.85
O=C(NC1=CN(C2CCCCC2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250387	0	53	-1.0	-45.32	397.18	4.79	-40.53
O=C(NC1=CN(C2CCCCC2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250387	1	53	-1.0	-45.36	397.12	4.78	-40.58
C[N@@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020250388	0	53	0.0	-70.91	394.14	6.18	-64.73
C[N@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020250388	1	53	0.0	-65.50	393.62	6.17	-59.33
C[N@@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020250388	1	53	0.0	-70.84	394.20	6.18	-64.66
C[N@H+]1CCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020250388	1	53	0.0	-65.47	393.68	6.17	-59.30
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)S1	REAL300020250389	0	43	-1.0	-43.87	342.84	4.44	-39.43
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)S1	REAL300020250389	1	43	-1.0	-43.87	342.90	4.44	-39.43
CC1=NN(C(F)F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250390	0	43	-1.0	-44.49	349.33	2.40	-42.09
CC1=NN(C(F)F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250390	1	43	-1.0	-44.52	349.38	2.40	-42.12
O=C(NC1=C(Cl)C=CC2=C1OCO2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250391	0	43	-1.0	-48.45	353.33	4.00	-44.45
O=C(NC1=C(Cl)C=CC2=C1OCO2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250391	1	43	-1.0	-48.46	353.39	4.02	-44.44
CC(C)(C)C1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250392	0	51	-1.0	-43.74	383.77	4.32	-39.42
CC(C)(C)C1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250392	1	51	-1.0	-43.74	383.72	4.29	-39.45
O=C(NC1=CC(F)=CC2=C1OCCC2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250393	0	48	-1.0	-48.00	372.09	4.66	-43.34
O=C(NC1=CC(F)=CC2=C1OCCC2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250393	1	48	-1.0	-47.99	372.14	4.66	-43.33
CP(C)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250394	0	49	-1.0	-54.49	393.24	3.41	-51.08
CP(C)(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250394	1	49	-1.0	-54.43	393.29	3.42	-51.01
CN1CCCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020250395	0	52	-1.0	-46.19	387.19	4.38	-41.81
CN1CCCC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020250395	1	52	-1.0	-46.17	387.24	4.39	-41.78
CN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020250396	0	46	-1.0	-45.59	362.36	3.75	-41.84
CN1N=CC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020250396	1	46	-1.0	-45.59	362.31	3.74	-41.85
CC1=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020250397	0	45	-1.0	-45.10	363.94	4.93	-40.17
CC1=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020250397	1	45	-1.0	-45.09	363.99	4.94	-40.15
CCC1=NOC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250398	0	42	-1.0	-41.12	331.19	2.55	-38.57
CCC1=NOC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250398	1	42	-1.0	-41.12	331.23	2.55	-38.57
O=C(NC1=CC=C2SCCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250399	0	48	-1.0	-45.13	375.92	6.02	-39.11
O=C(NC1=CC=C2SCCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250399	1	48	-1.0	-45.15	375.98	6.04	-39.11
O=C(NC1=NN2CCOCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250400	0	45	-1.0	-49.22	347.70	1.79	-47.43
O=C(NC1=NN2CCOCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250400	1	45	-1.0	-49.24	347.75	1.79	-47.45
O=C(NC1=CC=C2C=NSC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250401	0	42	-1.0	-47.51	344.67	3.96	-43.55
O=C(NC1=CC=C2C=NSC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250401	1	42	-1.0	-47.50	344.61	3.95	-43.55
CNC(=O)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250402	0	50	-1.0	-54.55	394.27	2.79	-51.76
CNC(=O)CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250402	1	50	-1.0	-54.57	394.32	2.80	-51.77
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250403	0	41	-1.0	-45.35	334.55	3.09	-42.26
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250403	1	41	-1.0	-45.35	334.60	3.09	-42.26
CC(C)C1=NC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250404	0	47	-1.0	-41.97	361.41	4.05	-37.92
CC(C)C1=NC=NC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250404	1	47	-1.0	-41.94	361.46	4.05	-37.89
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC(OC)=N1	REAL300020250405	0	46	-1.0	-47.56	368.59	-1.05	-48.61
COC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC(OC)=N1	REAL300020250405	1	46	-1.0	-47.54	368.53	-1.06	-48.60
CC1=C(C)C2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2N1	REAL300020250406	0	50	-1.0	-47.27	385.95	5.01	-42.26
CC1=C(C)C2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2N1	REAL300020250406	1	50	-1.0	-47.24	386.00	5.03	-42.21
O=C(NC1=CC=C(C(F)(F)CF)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250407	0	46	-1.0	-44.71	372.87	5.50	-39.21
O=C(NC1=CC=C(C(F)(F)CF)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250407	1	46	-1.0	-44.72	372.93	5.51	-39.21
C#CC1=CC=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250408	0	41	-1.0	-47.96	336.40	4.64	-43.32
C#CC1=CC=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250408	1	41	-1.0	-47.99	336.46	4.64	-43.35
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020250409	0	41	-1.0	-47.97	336.45	4.67	-43.30
C#CC1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020250409	1	41	-1.0	-47.95	336.51	4.68	-43.27
O=C(NC1=CC(C2CCOC2)=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250410	0	50	-1.0	-47.57	384.67	4.14	-43.43
O=C(NC1=CC(C2CCOC2)=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250410	1	50	-1.0	-47.58	384.72	4.16	-43.42
O=C(NC1=CC=CC=C1OC1COC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250411	0	49	-1.0	-47.42	380.74	2.71	-44.71
O=C(NC1=CC=CC=C1OC1COC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250411	1	49	-1.0	-47.42	380.80	2.72	-44.70
O=C(NC1=CN=CC2=C(Cl)C=CC=C12)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250412	0	45	-1.0	-45.68	366.10	4.83	-40.85
O=C(NC1=CN=CC2=C(Cl)C=CC=C12)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250412	1	45	-1.0	-45.65	366.05	4.81	-40.84
CC(C)C1=CON=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250413	0	45	-1.0	-48.54	352.61	4.49	-44.05
CC(C)C1=CON=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250413	1	45	-1.0	-48.55	352.55	4.47	-44.08
O=C(NC1=NOC=C1C1CCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250414	0	46	-1.0	-48.68	358.08	5.13	-43.55
O=C(NC1=NOC=C1C1CCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250414	1	46	-1.0	-48.70	358.02	5.13	-43.57
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250415	0	49	-1.0	-48.86	391.52	5.33	-43.53
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250415	1	49	-1.0	-48.86	391.57	5.33	-43.53
CC(C)(C#N)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250416	0	50	-1.0	-49.02	389.45	5.79	-43.23
CC(C)(C#N)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250416	1	50	-1.0	-49.04	389.49	5.80	-43.24
COC1=CC(C)=NC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250417	0	49	-1.0	-47.52	378.41	4.00	-43.52
COC1=CC(C)=NC(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250417	1	49	-1.0	-47.53	378.47	4.01	-43.52
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250417	1	50	0.0	-57.57	379.29	4.20	-53.37
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250417	1	50	0.0	-57.57	379.35	4.19	-53.38
COC1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2C=C1	REAL300020250418	0	49	-1.0	-46.99	386.51	2.73	-44.26
COC1=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2C=C1	REAL300020250418	1	49	-1.0	-46.96	386.46	2.72	-44.24
O=C(NC1=CN=NN1C1CC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250419	0	43	-1.0	-41.78	340.41	2.82	-38.96
O=C(NC1=CN=NN1C1CC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250419	1	43	-1.0	-41.75	340.35	2.81	-38.94
CC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250420	0	48	-1.0	-51.37	371.91	5.11	-46.26
CC(=O)C1=CC=C(C)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250420	1	48	-1.0	-51.34	371.96	5.12	-46.22
CN1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C1=O	REAL300020250421	0	48	-1.0	-56.94	374.99	3.80	-53.14
CN1CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C1=O	REAL300020250421	1	48	-1.0	-56.99	375.04	3.81	-53.18
CCOC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250422	0	47	-1.0	-47.40	370.09	0.48	-46.92
CCOC1=NN(C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250422	1	47	-1.0	-47.38	370.03	0.48	-46.90
CC1=CC2=CC=CN=C2C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250423	0	48	-1.0	-51.34	374.80	5.06	-46.28
CC1=CC2=CC=CN=C2C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250423	1	48	-1.0	-51.36	374.75	5.05	-46.31
CC1=CN=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250424	0	42	-1.0	-42.47	342.51	3.27	-39.20
CC1=CN=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250424	1	42	-1.0	-42.47	342.46	3.27	-39.20
CSC1=CC=NC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250425	0	43	-1.0	-47.11	349.91	4.55	-42.56
CSC1=CC=NC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250425	1	43	-1.0	-47.11	349.86	4.54	-42.57
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)C=C1Cl	REAL300020250426	0	46	-1.0	-42.20	366.06	5.81	-36.39
CC1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)C=C1Cl	REAL300020250426	1	46	-1.0	-42.25	366.12	5.82	-36.43
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020250427	0	49	-1.0	-44.49	378.95	5.85	-38.64
CC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020250427	1	49	-1.0	-44.46	379.00	5.85	-38.61
O=C(NC1=CC2=CC=CC=C2N=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250428	0	45	-1.0	-45.26	369.23	4.77	-40.49
O=C(NC1=CC2=CC=CC=C2N=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250428	1	45	-1.0	-45.28	369.18	4.76	-40.52
CCCOC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250429	0	50	-1.0	-44.90	394.32	5.11	-39.79
CCCOC1=C(F)C=CC=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250429	1	50	-1.0	-44.95	394.37	5.13	-39.82
CCCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250430	0	50	-1.0	-47.12	391.42	5.04	-42.08
CCCOC1=CC=C(F)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250430	1	50	-1.0	-47.10	391.47	5.04	-42.06
O=C(NC1=CC2=CC=CC=C2C=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250431	0	46	-1.0	-46.14	373.90	6.72	-39.42
O=C(NC1=CC2=CC=CC=C2C=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250431	1	46	-1.0	-46.13	373.95	6.73	-39.40
CC1=NC(Cl)=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250432	0	42	-1.0	-40.06	357.59	3.81	-36.25
CC1=NC(Cl)=C(Cl)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250432	1	42	-1.0	-40.07	357.64	3.82	-36.25
O=C(NC1=CC=NN1C1CC1(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250433	0	44	-1.0	-44.80	356.48	4.46	-40.34
O=C(NC1=CC=NN1C1CC1(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250433	1	44	-1.0	-44.82	356.43	4.46	-40.36
O=C(NC1=CC(F)=CC(Cl)=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250434	0	40	-1.0	-41.38	341.33	4.50	-36.88
O=C(NC1=CC(F)=CC(Cl)=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250434	1	40	-1.0	-41.41	341.38	4.50	-36.91
COC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020250435	0	50	-1.0	-46.14	387.24	4.35	-41.79
COC(C)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020250435	1	50	-1.0	-46.15	387.29	4.36	-41.79
CC1=NN(C(C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250436	0	49	-1.0	-45.01	376.19	3.59	-41.42
CC1=NN(C(C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250436	1	49	-1.0	-45.04	376.25	3.60	-41.44
O=C(NC1=CC=CC2=C1CCOC2)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250437	0	48	-1.0	-46.18	364.24	4.09	-42.09
O=C(NC1=CC=CC2=C1CCOC2)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250437	1	48	-1.0	-46.20	364.29	4.09	-42.11
O=C(NC1=CC=CN=C1OC(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250438	0	43	-1.0	-47.75	349.34	1.41	-46.34
O=C(NC1=CC=CN=C1OC(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250438	1	43	-1.0	-47.76	349.29	1.42	-46.34
CN1CCCC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020250439	0	52	-1.0	-46.41	383.35	4.90	-41.51
CN1CCCC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020250439	1	52	-1.0	-46.36	383.39	4.90	-41.46
O=C(NC1=CC(F)=CN=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250440	0	39	-1.0	-41.58	329.27	2.69	-38.89
O=C(NC1=CC(F)=CN=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250440	1	39	-1.0	-41.56	329.22	2.69	-38.87
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C2CCC2)=N1	REAL300020250441	0	50	-1.0	-45.07	383.47	4.25	-40.82
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C2CCC2)=N1	REAL300020250441	1	50	-1.0	-45.09	383.52	4.25	-40.84
N#CC1=CN(CC(F)F)N=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250442	0	44	-1.0	-56.81	372.17	4.44	-52.37
N#CC1=CN(CC(F)F)N=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250442	1	44	-1.0	-56.79	372.11	4.43	-52.36
O=C(NC1=CC=C(C2CC2(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250443	0	47	-1.0	-46.43	373.79	6.08	-40.35
O=C(NC1=CC=C(C2CC2(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250443	1	47	-1.0	-46.46	373.84	6.08	-40.38
CC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020250444	0	44	-1.0	-42.70	342.38	2.62	-40.08
CC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020250444	1	44	-1.0	-42.71	342.43	2.63	-40.08
O=C(NC1=CC=CC(N2CCC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250445	0	49	-1.0	-48.62	370.99	2.91	-45.71
O=C(NC1=CC=CC(N2CCC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250445	1	49	-1.0	-48.57	371.04	2.92	-45.65
CN1C=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020250446	0	47	-1.0	-47.97	366.16	5.52	-42.45
CN1C=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020250446	1	47	-1.0	-47.94	366.21	5.53	-42.41
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250447	0	48	-1.0	-47.54	386.56	3.55	-43.99
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250447	1	48	-1.0	-47.50	386.50	3.54	-43.96
COC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020250448	0	44	-1.0	-44.19	363.41	3.71	-40.48
COC1=CC(F)=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020250448	1	44	-1.0	-44.24	363.46	3.72	-40.52
CN1C=NN=C1C1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250449	0	48	-1.0	-49.11	378.55	4.57	-44.54
CN1C=NN=C1C1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250449	1	48	-1.0	-49.08	378.60	4.58	-44.50
NS(=O)(=O)C1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250450	0	44	-1.0	-48.50	361.65	-3.08	-51.58
NS(=O)(=O)C1=CN=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250450	1	44	-1.0	-48.51	361.60	-3.08	-51.59
CCCSC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250451	0	50	-1.0	-47.91	396.34	6.49	-41.42
CCCSC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250451	1	50	-1.0	-47.89	396.39	6.50	-41.39
O=C(NC1=CC=CC(C(F)F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250452	0	43	-1.0	-45.68	345.02	4.70	-40.98
O=C(NC1=CC=CC(C(F)F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250452	1	43	-1.0	-45.68	345.07	4.72	-40.96
COC1=C(F)C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020250453	0	44	-1.0	-42.47	358.22	3.42	-39.05
COC1=C(F)C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020250453	1	44	-1.0	-42.45	358.27	3.42	-39.03
CN1C=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2C1=O	REAL300020250454	0	48	-1.0	-51.59	378.45	4.48	-47.11
CN1C=NC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2C1=O	REAL300020250454	1	48	-1.0	-51.55	378.39	4.48	-47.07
CC1=CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C=N1	REAL300020250455	0	48	-1.0	-46.72	372.96	5.05	-41.67
CC1=CC2=CC=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C=N1	REAL300020250455	1	48	-1.0	-46.70	373.01	5.05	-41.65
O=C(NC1=CNN=C1C1=CN=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250456	0	45	-1.0	-47.58	360.63	0.62	-46.96
O=C(NC1=CNN=C1C1=CN=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250456	1	45	-1.0	-47.59	360.69	0.62	-46.97
CC(F)(F)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250457	0	45	-1.0	-46.08	363.38	5.26	-40.82
CC(F)(F)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250457	1	45	-1.0	-46.08	363.33	5.25	-40.83
O=C(NC1=CC=CC=C1C1CC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250458	0	47	-1.0	-45.17	358.53	6.08	-39.09
O=C(NC1=CC=CC=C1C1CC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250458	1	47	-1.0	-45.16	358.58	6.09	-39.07
CC1=CC=C(C(C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250459	0	52	-1.0	-44.57	390.84	6.64	-37.93
CC1=CC=C(C(C)C)C=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250459	1	52	-1.0	-44.62	390.90	6.64	-37.98
O=C(NC1=CN=C(C2CCCC2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250460	0	51	-1.0	-42.73	388.27	4.23	-38.50
O=C(NC1=CN=C(C2CCCC2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250460	1	51	-1.0	-42.72	388.32	4.24	-38.48
O=C(NC1=NOC(C2CCC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250461	0	46	-1.0	-44.80	357.58	5.13	-39.67
O=C(NC1=NOC(C2CCC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250461	1	46	-1.0	-44.81	357.63	5.14	-39.67
NC(=O)C1=CC(Cl)=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250462	0	44	-1.0	-50.59	363.53	1.06	-49.53
NC(=O)C1=CC(Cl)=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250462	1	44	-1.0	-50.65	363.58	1.07	-49.58
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=CO1	REAL300020250463	0	49	-1.0	-47.31	389.58	2.88	-44.43
CC1=NC(C2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=CO1	REAL300020250463	1	49	-1.0	-47.33	389.53	2.86	-44.47
O=C(NC1=CN=C2NC(=O)COC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250464	0	45	-1.0	-44.88	358.06	0.13	-44.75
O=C(NC1=CN=C2NC(=O)COC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250464	1	45	-1.0	-44.83	358.00	0.10	-44.73
CC1=CC2=NC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020250465	0	48	-1.0	-45.37	375.68	4.83	-40.54
CC1=CC2=NC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020250465	1	48	-1.0	-45.40	375.73	4.84	-40.56
CC1=CN2C=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC2=N1	REAL300020250466	0	46	-1.0	-46.50	363.75	4.93	-41.57
CC1=CN2C=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC2=N1	REAL300020250466	1	46	-1.0	-46.50	363.80	4.94	-41.56
CC(C)OC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250467	0	50	-1.0	-43.42	390.82	4.77	-38.65
CC(C)OC1=CC(F)=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250467	1	50	-1.0	-43.45	390.87	4.78	-38.67
O=C(NC1=CC=CC(C2CC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250468	0	47	-1.0	-44.48	361.99	5.94	-38.54
O=C(NC1=CC=CC(C2CC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250468	1	47	-1.0	-44.47	362.04	5.95	-38.52
COCC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020250469	0	45	-1.0	-45.14	357.51	0.71	-44.43
COCC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020250469	1	45	-1.0	-45.15	357.56	0.73	-44.42
CC1=CN(C(F)F)N=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250470	0	43	-1.0	-49.39	351.28	3.62	-45.77
CC1=CN(C(F)F)N=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250470	1	43	-1.0	-49.32	351.23	3.61	-45.71
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250471	0	46	-1.0	-46.90	372.99	3.15	-43.75
O=C(NC1=CN(C2=CC=NC(F)=C2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250471	1	46	-1.0	-46.87	372.94	3.15	-43.72
O=C(NC1=CN=C(C2CCC2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250472	0	48	-1.0	-42.62	370.80	3.86	-38.76
O=C(NC1=CN=C(C2CCC2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250472	1	48	-1.0	-42.63	370.85	3.86	-38.77
CC(C)C1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250473	0	49	-1.0	-45.03	388.02	6.37	-38.66
CC(C)C1=CC=C(Cl)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250473	1	49	-1.0	-45.05	388.06	6.38	-38.67
O=C(NC1=CN=C2OCCC2=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250474	0	44	-1.0	-45.87	343.17	0.59	-45.28
O=C(NC1=CN=C2OCCC2=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250474	1	44	-1.0	-45.83	343.11	0.56	-45.27
O=C(NC1=CC=C(C(F)F)C=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250475	0	42	-1.0	-47.28	343.47	4.41	-42.87
O=C(NC1=CC=C(C(F)F)C=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250475	1	42	-1.0	-47.28	343.42	4.40	-42.88
COC1=CC=C(Cl)C(F)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250476	0	44	-1.0	-51.16	362.30	3.84	-47.32
COC1=CC=C(Cl)C(F)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250476	1	44	-1.0	-51.17	362.36	3.86	-47.31
O=C(NC1=NN(C2CC2)C=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250477	0	43	-1.0	-51.88	342.40	6.36	-45.52
O=C(NC1=NN(C2CC2)C=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250477	1	43	-1.0	-51.92	342.34	6.36	-45.56
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020250478	0	48	-1.0	-46.48	375.72	4.83	-41.65
CC1=NC2=CC=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020250478	1	48	-1.0	-46.49	375.77	4.84	-41.65
CCCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250479	0	46	-1.0	-49.11	358.24	4.14	-44.97
CCCN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250479	1	46	-1.0	-49.11	358.18	4.14	-44.97
CC(C)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020250480	0	49	-1.0	-42.40	378.41	5.78	-36.62
CC(C)C1=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020250480	1	49	-1.0	-42.45	378.46	5.79	-36.66
CC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020250481	0	42	-1.0	-42.20	343.68	3.09	-39.11
CC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020250481	1	42	-1.0	-42.12	343.73	3.11	-39.01
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C2CCCC2)=N1	REAL300020250482	0	53	-1.0	-44.33	400.16	4.70	-39.63
CN1C=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C2CCCC2)=N1	REAL300020250482	1	53	-1.0	-44.29	400.21	4.72	-39.57
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250483	0	46	-1.0	-48.07	367.67	4.50	-43.57
COC(=O)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250483	1	46	-1.0	-48.02	367.72	4.51	-43.51
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250484	0	48	-1.0	-51.00	386.69	2.64	-48.36
O=C(NC1=CN(CC2=NC=CC=N2)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250484	1	48	-1.0	-51.00	386.75	2.65	-48.35
COCC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020250485	0	48	-1.0	-44.44	376.04	1.60	-42.84
COCC1=NC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020250485	1	48	-1.0	-44.43	376.09	1.60	-42.83
COC(=O)C1=CC(C#N)=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250486	0	47	-1.0	-47.38	388.79	4.86	-42.52
COC(=O)C1=CC(C#N)=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250486	1	47	-1.0	-47.40	388.84	4.87	-42.53
O=C(NC1=CC=CC(OC2CCC2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250487	0	51	-1.0	-48.44	390.29	5.42	-43.02
O=C(NC1=CC=CC(OC2CCC2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250487	1	51	-1.0	-48.47	390.34	5.43	-43.04
COC1=CC2=C(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2C=C1	REAL300020250488	0	50	-1.0	-50.07	385.73	5.53	-44.54
COC1=CC2=C(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2C=C1	REAL300020250488	1	50	-1.0	-50.12	385.78	5.54	-44.58
CC1=NN(C)C(C(F)F)=C1NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250489	0	46	-1.0	-50.52	367.08	2.77	-47.75
CC1=NN(C)C(C(F)F)=C1NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250489	1	46	-1.0	-50.55	367.18	2.78	-47.77
O=C(NC1=CC(N2C=CC=N2)=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250490	0	46	-1.0	-52.41	368.03	4.69	-47.72
O=C(NC1=CC(N2C=CC=N2)=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250490	1	46	-1.0	-52.42	368.08	4.70	-47.72
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(F)(F)F	REAL300020250491	0	46	-1.0	-45.92	363.36	5.85	-40.07
CC1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(F)(F)F	REAL300020250491	1	46	-1.0	-45.94	363.41	5.85	-40.09
CC(F)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020250492	0	46	-1.0	-44.62	361.02	5.28	-39.34
CC(F)C1=CC=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020250492	1	46	-1.0	-44.64	361.07	5.30	-39.34
O=C(NC1=CC=CC(C2=CC=NC=C2)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250493	0	49	-1.0	-46.42	382.32	5.52	-40.90
O=C(NC1=CC=CC(C2=CC=NC=C2)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250493	1	49	-1.0	-46.44	382.27	5.51	-40.93
CC1=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C2C=C1	REAL300020250494	0	48	-1.0	-45.40	375.01	4.83	-40.57
CC1=CC2=CC(NC(=O)C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C2C=C1	REAL300020250494	1	48	-1.0	-45.40	374.96	4.82	-40.58
CC(C)CN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250495	0	49	-1.0	-49.37	377.96	4.96	-44.41
CC(C)CN1C=CC(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250495	1	49	-1.0	-49.34	377.91	4.95	-44.39
O=C(NC1=CC=C(C2CCCCC2)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250496	0	56	-1.0	-44.08	414.96	7.61	-36.47
O=C(NC1=CC=C(C2CCCCC2)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250496	1	56	-1.0	-44.09	415.01	7.63	-36.46
O=C(NC1=CC=CC(CCF)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250497	0	46	-1.0	-45.85	362.65	5.40	-40.45
O=C(NC1=CC=CC(CCF)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250497	1	46	-1.0	-45.83	362.70	5.42	-40.41
COC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020250498	0	35	-2.0	-99.80	313.39	3.33	-96.47
COC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020250498	1	35	-2.0	-99.75	313.44	3.34	-96.41
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020250499	0	42	-2.0	-97.28	363.68	3.98	-93.30
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020250499	1	42	-2.0	-97.30	363.74	4.00	-93.30
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020250500	0	38	-2.0	-95.35	327.49	3.25	-92.10
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020250500	1	38	-2.0	-95.34	327.55	3.27	-92.07
CC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020250501	0	37	-2.0	-95.66	319.41	4.63	-91.03
CC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020250501	1	37	-2.0	-95.64	319.47	4.65	-90.99
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020250502	0	34	-2.0	-91.13	304.40	4.02	-87.11
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020250502	1	34	-2.0	-91.12	304.46	4.04	-87.08
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020250503	0	38	-2.0	-89.90	343.99	3.75	-86.15
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020250503	1	38	-2.0	-89.87	344.04	3.76	-86.11
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CC1=CC=CC(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])=C1C	REAL300020250619	1	37	-2.0	-101.25	313.49	4.65	-96.60
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1F	REAL300020250620	0	35	-2.0	-97.98	318.93	3.05	-94.93
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CS(=O)C1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020250629	1	36	-2.0	-85.26	297.29	2.12	-83.14
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O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300020250636	0	38	-2.0	-87.17	346.95	6.61	-80.56
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=C(Br)C=C1	REAL300020250636	1	38	-2.0	-87.23	347.01	6.62	-80.61
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=C(F)C=C1F	REAL300020250637	0	38	-2.0	-102.64	337.72	6.15	-96.49
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COC1CCCC(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C1	REAL300020250638	0	41	-2.0	-101.90	332.82	2.82	-99.08
COC1CCCC(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C1	REAL300020250638	1	41	-2.0	-101.88	332.88	2.83	-99.05
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=CC=C1	REAL300020250639	0	38	-2.0	-90.52	325.70	5.99	-84.53
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=CC=C1	REAL300020250639	1	38	-2.0	-90.52	325.76	6.00	-84.52
COC1=CC=CC(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300020250640	0	35	-2.0	-102.43	312.74	2.98	-99.45
COC1=CC=CC(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300020250640	1	35	-2.0	-102.44	312.79	2.99	-99.45
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020250641	0	37	-2.0	-85.47	321.55	4.04	-81.43
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020250641	1	37	-2.0	-85.46	321.61	4.06	-81.40
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C2CCCCC12	REAL300020250642	0	41	-2.0	-89.69	314.21	5.46	-84.23
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C2CCCCC12	REAL300020250642	1	41	-2.0	-89.72	314.27	5.48	-84.24
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300020250643	0	31	-2.0	-100.44	299.37	4.13	-96.31
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300020250643	1	31	-2.0	-100.41	299.42	4.14	-96.27
O=C([O-])C1=CN(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)N=N1	REAL300020250644	0	37	-2.0	-94.63	320.63	2.71	-91.92
O=C([O-])C1=CN(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)N=N1	REAL300020250644	1	37	-2.0	-94.65	320.57	2.69	-91.96
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)CCC1=N[N-]N=N1	REAL300020250645	0	31	-2.0	-95.85	309.75	4.33	-91.52
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)CCC1=NN=N[N-]1	REAL300020250645	1	31	-2.0	-95.78	309.81	4.35	-91.43
O=C([O-])C1=CC=C(C#CC2=CC=CC=C2NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020250646	0	40	-2.0	-94.42	367.41	8.41	-86.01
O=C([O-])C1=CC=C(C#CC2=CC=CC=C2NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020250646	1	40	-2.0	-94.42	367.46	8.43	-85.99
COC1=CC=CC([C@H](NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300020250647	0	35	-2.0	-102.48	312.96	2.91	-99.57
COC1=CC=CC([C@H](NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300020250647	1	35	-2.0	-102.49	313.02	2.91	-99.58
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020250648	0	35	-2.0	-94.16	301.92	5.39	-88.77
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020250648	1	35	-2.0	-94.18	301.98	5.41	-88.77
COC1=CC=CC(CC(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300020250649	0	38	-2.0	-98.70	335.18	3.85	-94.85
COC1=CC=CC(CC(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300020250649	1	38	-2.0	-98.67	335.23	3.87	-94.80
O=C([O-])C1=CN=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300020250650	0	37	-2.0	-90.81	331.14	4.28	-86.53
O=C([O-])C1=CN=C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300020250650	1	37	-2.0	-90.81	331.20	4.30	-86.51
O=C([O-])CCCCCCCCCCCNC(=O)CCC1=N[N-]N=N1	REAL300020250651	0	51	-2.0	-87.57	420.30	7.40	-80.17
O=C([O-])CCCCCCCCCCCNC(=O)CCC1=NN=N[N-]1	REAL300020250651	1	51	-2.0	-87.60	420.36	7.41	-80.19
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(OCC(F)F)=C1	REAL300020250652	0	35	-2.0	-91.44	322.65	3.80	-87.64
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(OCC(F)F)=C1	REAL300020250652	1	35	-2.0	-91.46	322.71	3.81	-87.65
CC(OC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1F)C(=O)[O-]	REAL300020250653	0	35	-2.0	-93.77	315.15	4.08	-89.69
CC(OC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1F)C(=O)[O-]	REAL300020250653	1	35	-2.0	-93.74	315.21	4.10	-89.64
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CCC2=CC(Br)=CC=C2C1	REAL300020250654	0	38	-2.0	-99.87	336.09	6.50	-93.37
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CCC2=CC(Br)=CC=C2C1	REAL300020250654	1	38	-2.0	-99.89	336.14	6.52	-93.37
CC1(C2=CC=C(Br)C=C2)CC1(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020250655	0	38	-2.0	-104.33	351.11	6.44	-97.89
CC1(C2=CC=C(Br)C=C2)CC1(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020250655	1	38	-2.0	-104.24	351.17	6.46	-97.78
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020250656	0	31	-2.0	-95.47	299.56	4.18	-91.29
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020250656	1	31	-2.0	-95.46	299.61	4.20	-91.26
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020250657	0	44	-2.0	-99.55	382.88	5.97	-93.58
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020250657	1	44	-2.0	-99.51	382.94	5.98	-93.53
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020250658	0	36	-2.0	-86.97	336.51	-0.37	-87.34
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020250658	1	36	-2.0	-86.92	336.56	-0.35	-87.27
O=C([O-])CC(C1=CC=CC=C1)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020250659	0	47	-2.0	-88.35	367.52	7.71	-80.64
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O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(OC(F)F)=C1	REAL300020250662	1	32	-2.0	-94.30	297.61	2.85	-91.45
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CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020250663	1	37	-2.0	-103.81	316.97	5.31	-98.50
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COCC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300020250665	1	35	-2.0	-105.48	315.38	2.87	-102.61
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCC1=N[N-]N=N1	REAL300020250666	0	40	-2.0	-101.23	349.49	6.61	-94.62
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCC1=NN=N[N-]1	REAL300020250666	1	40	-2.0	-101.12	349.54	6.63	-94.49
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020250667	0	34	-2.0	-94.53	319.24	4.59	-89.94
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020250667	1	34	-2.0	-94.53	319.30	4.60	-89.93
CC1=C(NC(=O)CCC2=N[N-]N=N2)C=C(Br)C=C1C(=O)[O-]	REAL300020250668	0	31	-2.0	-85.09	294.22	4.52	-80.57
CC1=C(NC(=O)CCC2=NN=N[N-]2)C=C(Br)C=C1C(=O)[O-]	REAL300020250668	1	31	-2.0	-85.12	294.28	4.53	-80.59
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020250669	0	42	-2.0	-102.74	370.46	6.54	-96.20
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020250669	1	42	-2.0	-102.75	370.51	6.56	-96.19
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CS(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300020250670	1	34	-2.0	-107.43	320.70	0.69	-106.74
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O=C([O-])C1=CN(C2CCN(C(=O)CCC3=NN=N[N-]3)C2)N=N1	REAL300020250672	0	34	-2.0	-95.13	305.38	1.95	-93.18
O=C([O-])C1=CN(C2CCN(C(=O)CCC3=N[N-]N=N3)C2)N=N1	REAL300020250672	1	34	-2.0	-95.17	305.32	1.94	-93.23
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O=C([O-])C1=CC=C2NC3=C(CN(C(=O)CCC4=NN=N[N-]4)CC3)C2=C1	REAL300020250673	1	39	-2.0	-101.36	334.55	5.53	-95.83
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O=C([O-])C1(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCOC1	REAL300020250677	0	41	-2.0	-95.97	321.48	0.69	-95.28
O=C([O-])C1(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCOC1	REAL300020250677	1	41	-2.0	-95.97	321.54	0.70	-95.27
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCC1=N[N-]N=N1	REAL300020250678	0	37	-2.0	-87.74	331.06	2.94	-84.80
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCC1=NN=N[N-]1	REAL300020250678	1	37	-2.0	-87.76	331.11	2.96	-84.80
CC(CC1=CC=C(Cl)C=C1)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020250679	0	37	-2.0	-98.25	325.60	5.47	-92.78
CC(CC1=CC=C(Cl)C=C1)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020250679	1	37	-2.0	-98.21	325.66	5.48	-92.73
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CC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300020250681	1	36	-2.0	-101.23	319.55	5.29	-95.94
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O=C([O-])C1=NN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2F)C=C1	REAL300020250683	0	35	-2.0	-109.84	323.92	4.56	-105.28
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O=C([O-])C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020250688	0	34	-2.0	-94.60	319.31	4.58	-90.02
O=C([O-])C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020250688	1	34	-2.0	-94.64	319.36	4.59	-90.05
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020250689	0	37	-2.0	-97.22	326.50	5.34	-91.88
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020250689	1	37	-2.0	-97.26	326.56	5.36	-91.90
O=C([O-])CC1CN(C(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020250690	0	35	-2.0	-90.73	300.13	5.71	-85.02
O=C([O-])CC1CN(C(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020250690	1	35	-2.0	-90.75	300.19	5.72	-85.03
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020250691	0	34	-2.0	-108.27	301.27	5.28	-102.99
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020250691	1	34	-2.0	-108.24	301.33	5.29	-102.95
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020250692	0	40	-2.0	-90.96	347.22	4.73	-86.23
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020250692	1	40	-2.0	-90.97	347.28	4.74	-86.23
CC(CC1=CC=C(F)C=C1)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020250693	0	37	-2.0	-98.46	315.27	5.02	-93.44
CC(CC1=CC=C(F)C=C1)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020250693	1	37	-2.0	-98.42	315.33	5.03	-93.39
O=C([O-])[C@@H]1C[C@H](NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020250694	0	35	-2.0	-87.91	304.06	4.34	-83.57
O=C([O-])[C@@H]1C[C@H](NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020250694	1	35	-2.0	-87.89	304.12	4.36	-83.53
O=C([O-])[C@@H](CNC(=O)CCC1=N[N-]N=N1)OC1=CC=CC=C1	REAL300020250695	0	35	-2.0	-92.77	314.65	3.51	-89.26
O=C([O-])[C@@H](CNC(=O)CCC1=NN=N[N-]1)OC1=CC=CC=C1	REAL300020250695	1	35	-2.0	-92.74	314.71	3.53	-89.21
O=C([O-])C1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CCC2=C1	REAL300020250696	0	35	-2.0	-92.90	302.46	5.55	-87.35
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O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CCC1=N[N-]N=N1	REAL300020250697	0	35	-2.0	-92.61	297.59	5.79	-86.82
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CCC1=NN=N[N-]1	REAL300020250697	1	35	-2.0	-92.59	297.65	5.81	-86.78
O=C([O-])C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020250698	0	34	-2.0	-97.74	318.07	5.36	-92.38
O=C([O-])C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020250698	1	34	-2.0	-97.74	318.15	5.38	-92.36
CCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(C(=O)[O-])=C1	REAL300020250699	0	35	-2.0	-93.14	307.06	3.70	-89.44
CCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(C(=O)[O-])=C1	REAL300020250699	1	35	-2.0	-93.10	307.11	3.71	-89.39
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C(F)(F)F	REAL300020250700	0	31	-2.0	-92.46	286.60	3.51	-88.95
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C(F)(F)F	REAL300020250700	1	31	-2.0	-92.50	286.65	3.52	-88.98
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O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020250702	0	38	-2.0	-94.51	351.48	4.41	-90.10
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020250702	1	38	-2.0	-94.55	351.53	4.42	-90.13
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020250703	0	33	-2.0	-107.04	306.40	3.77	-103.27
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020250703	1	33	-2.0	-107.06	306.35	3.75	-103.31
CN(C(=O)CCC1=N[N-]N=N1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300020250704	0	34	-2.0	-93.37	312.72	5.64	-87.73
CN(C(=O)CCC1=NN=N[N-]1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300020250704	1	34	-2.0	-93.41	312.78	5.66	-87.75
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCC2=N[N-]N=N2)S1	REAL300020250705	0	37	-2.0	-108.61	333.63	4.07	-104.54
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)S1	REAL300020250705	1	37	-2.0	-108.60	333.69	4.08	-104.52
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)CCC2=N[N-]N=N2)=C1	REAL300020250706	0	38	-2.0	-103.06	333.15	5.61	-97.45
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)CCC2=NN=N[N-]2)=C1	REAL300020250706	1	38	-2.0	-103.05	333.21	5.62	-97.43
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCC2=N[N-]N=N2)=C1	REAL300020250707	0	38	-2.0	-98.42	320.33	4.22	-94.20
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCC2=NN=N[N-]2)=C1	REAL300020250707	1	38	-2.0	-98.39	320.39	4.23	-94.16
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O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020250719	1	34	-2.0	-94.60	316.19	5.10	-89.50
O=C([O-])C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020250720	0	34	-2.0	-94.63	316.14	5.09	-89.54
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O=C(CCC1=NN=N[N-]1)NC1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300020250722	1	34	-2.0	-86.86	307.50	3.85	-83.01
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020250723	0	35	-2.0	-90.16	309.63	3.47	-86.69
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020250723	1	35	-2.0	-90.18	309.69	3.48	-86.70
O=C([O-])[C@@H]1CCO[C@H]1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020250724	0	42	-2.0	-94.32	337.06	4.16	-90.16
O=C([O-])[C@@H]1CCO[C@H]1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020250724	1	42	-2.0	-94.33	337.11	4.18	-90.15
CSC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020250725	0	32	-2.0	-106.49	295.94	4.01	-102.48
CSC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020250725	1	32	-2.0	-106.49	296.00	4.03	-102.46
O=C([O-])C1=CC=C2NC=C(C3CCN(C(=O)CCC4=N[N-]N=N4)CC3)C2=C1	REAL300020250726	0	45	-2.0	-97.27	375.76	7.00	-90.27
O=C([O-])C1=CC=C2NC=C(C3CCN(C(=O)CCC4=NN=N[N-]4)CC3)C2=C1	REAL300020250726	1	45	-2.0	-97.30	375.82	7.02	-90.28
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020250727	0	47	-1.0	-84.89	366.45	6.91	-77.98
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020250727	1	47	-1.0	-91.73	372.40	7.39	-84.34
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020250727	1	47	-1.0	-84.92	366.51	6.92	-78.00
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020250727	1	47	-1.0	-91.73	372.46	7.40	-84.33
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020250728	0	39	-2.0	-91.56	343.26	2.74	-88.82
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020250728	1	39	-2.0	-91.56	343.32	2.75	-88.81
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C(O)C1=CC=NC=C1	REAL300020250729	0	34	-2.0	-97.18	303.42	0.11	-97.07
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C(O)C1=CC=NC=C1	REAL300020250729	1	34	-2.0	-97.18	303.48	0.12	-97.06
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C(C2CCCO2)C1	REAL300020250730	0	42	-2.0	-91.14	333.88	4.19	-86.95
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C(C2CCCO2)C1	REAL300020250730	1	42	-2.0	-91.10	333.94	4.21	-86.89
O=C(CCC1=N[N-]N=N1)NCC(C(=O)[O-])C1CCCCCC1	REAL300020250731	0	43	-2.0	-93.70	336.78	4.59	-89.11
O=C(CCC1=NN=N[N-]1)NCC(C(=O)[O-])C1CCCCCC1	REAL300020250731	1	43	-2.0	-93.70	336.84	4.61	-89.09
CC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300020250732	0	34	-2.0	-99.97	312.56	5.22	-94.75
CC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300020250732	1	34	-2.0	-99.98	312.62	5.23	-94.75
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C(Cl)=C1	REAL300020250733	0	31	-2.0	-93.95	319.61	4.70	-89.25
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C(Cl)=C1	REAL300020250733	1	31	-2.0	-93.91	319.67	4.71	-89.20
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020250734	0	33	-2.0	-105.93	299.55	3.72	-102.21
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020250734	1	33	-2.0	-105.95	299.49	3.70	-102.25
O=C([O-])C1CC2=CC=CC=C2N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020250735	0	35	-2.0	-92.31	296.54	5.80	-86.51
O=C([O-])C1CC2=CC=CC=C2N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020250735	1	35	-2.0	-92.36	296.60	5.81	-86.55
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)CCC1=N[N-]N=N1	REAL300020250736	0	38	-2.0	-95.56	319.29	6.74	-88.82
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)CCC1=NN=N[N-]1	REAL300020250736	1	38	-2.0	-95.56	319.35	6.75	-88.81
CC(CN1C=NC2=CC=CC=C21)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020250737	0	40	-2.0	-103.84	333.35	5.54	-98.30
CC(CN1C=NC2=CC=CC=C21)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020250737	1	40	-2.0	-103.82	333.41	5.55	-98.27
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1O	REAL300020250738	0	36	-2.0	-100.83	323.70	0.75	-100.08
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1O	REAL300020250738	1	36	-2.0	-100.85	323.76	0.75	-100.10
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020250739	0	41	-2.0	-93.62	339.47	2.31	-91.31
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020250739	1	41	-2.0	-93.61	339.52	2.32	-91.29
O=C([O-])C1=CC=C(N2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)N=C1	REAL300020250740	0	42	-2.0	-93.62	344.87	4.93	-88.69
O=C([O-])C1=CC=C(N2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)N=C1	REAL300020250740	1	42	-2.0	-93.60	344.93	4.95	-88.65
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020250741	0	43	-2.0	-91.61	346.56	4.87	-86.74
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020250741	1	43	-2.0	-91.60	346.62	4.88	-86.72
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020250742	0	47	-2.0	-103.33	402.00	6.40	-96.93
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020250742	1	47	-2.0	-103.28	402.06	6.41	-96.87
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020250743	0	43	-2.0	-92.18	347.89	6.79	-85.39
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020250743	1	43	-2.0	-92.16	347.95	6.80	-85.36
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020250744	0	43	-2.0	-90.07	370.65	5.52	-84.55
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020250744	1	43	-2.0	-90.04	370.71	5.54	-84.50
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020250745	0	36	-2.0	-93.58	319.03	4.63	-88.95
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020250745	1	36	-2.0	-93.58	319.09	4.64	-88.94
O=C([O-])C1=CC=C(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)N=C1	REAL300020250746	0	39	-2.0	-89.53	329.93	3.75	-85.78
O=C([O-])C1=CC=C(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)N=C1	REAL300020250746	1	39	-2.0	-89.54	329.98	3.77	-85.77
CC(C)OC1=C(NC(=O)CCC2=N[N-]N=N2)C=CC=C1C(=O)[O-]	REAL300020250747	0	38	-2.0	-89.95	321.47	5.44	-84.51
CC(C)OC1=C(NC(=O)CCC2=NN=N[N-]2)C=CC=C1C(=O)[O-]	REAL300020250747	1	38	-2.0	-89.91	321.53	5.46	-84.45
O=C([O-])CN1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020250748	0	45	-2.0	-90.17	366.13	2.16	-88.01
O=C([O-])CN1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020250748	1	45	-2.0	-90.15	366.19	2.17	-87.98
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=C(O)C=C1	REAL300020250749	0	38	-2.0	-95.40	337.83	1.93	-93.47
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=C(O)C=C1	REAL300020250749	1	38	-2.0	-95.41	337.88	1.95	-93.46
O=C([O-])C1=CC=C2NC(CNC(=O)CCC3=N[N-]N=N3)=NC2=C1	REAL300020250750	0	34	-2.0	-95.12	312.29	1.95	-93.17
O=C([O-])C1=CC=C2NC(CNC(=O)CCC3=NN=N[N-]3)=NC2=C1	REAL300020250750	1	34	-2.0	-95.11	312.35	1.97	-93.14
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)CCC1=N[N-]N=N1	REAL300020250751	0	35	-2.0	-97.54	325.26	5.20	-92.34
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)CCC1=NN=N[N-]1	REAL300020250751	1	35	-2.0	-97.52	325.31	5.22	-92.30
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020250752	0	43	-2.0	-87.90	370.83	5.66	-82.24
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020250752	1	43	-2.0	-87.88	370.88	5.68	-82.20
O=C([O-])CN(CCN1CCOCC1)C(=O)CCC1=N[N-]N=N1	REAL300020250753	0	40	-2.0	-96.09	333.82	1.55	-94.54
O=C([O-])CN(CCN1CCOCC1)C(=O)CCC1=NN=N[N-]1	REAL300020250753	1	40	-2.0	-96.06	333.88	1.57	-94.49
O=C([O-])COC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250754	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	REAL300020250754	1	36	-2.0	-110.02	310.29	4.41	-105.61
CCOC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300020250755	0	43	-2.0	-103.06	354.62	4.56	-98.50
CCOC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300020250755	1	43	-2.0	-103.07	354.69	4.55	-98.52
O=C([O-])C1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250756	0	38	-2.0	-102.16	329.20	6.04	-96.12
O=C([O-])C1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250756	1	38	-2.0	-102.15	329.26	6.06	-96.09
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250757	0	36	-2.0	-101.63	316.64	5.72	-95.91
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250757	1	36	-2.0	-101.61	316.70	5.74	-95.87
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250758	0	40	-2.0	-103.95	361.79	0.92	-103.03
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250758	1	40	-2.0	-103.92	361.84	0.95	-102.97
O=C([O-])C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020250759	0	34	-2.0	-92.19	307.41	4.77	-87.42
O=C([O-])C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020250759	1	34	-2.0	-92.21	307.46	4.79	-87.42
O=C([O-])C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020250760	0	34	-2.0	-92.19	307.41	4.77	-87.42
O=C([O-])C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020250760	1	34	-2.0	-92.21	307.46	4.79	-87.42
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250761	0	42	-2.0	-99.45	354.76	5.71	-93.74
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250761	1	42	-2.0	-99.45	354.82	5.72	-93.73
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250762	0	38	-2.0	-110.91	320.58	5.78	-105.13
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250762	1	38	-2.0	-110.90	320.63	5.80	-105.10
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1OCC(=O)[O-]	REAL300020250763	0	42	-2.0	-99.43	343.26	5.57	-93.86
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1OCC(=O)[O-]	REAL300020250763	1	42	-2.0	-99.46	343.32	5.57	-93.89
O=C([O-])C1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250764	0	35	-2.0	-111.21	307.74	5.23	-105.98
O=C([O-])C1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250764	1	35	-2.0	-111.25	307.80	5.25	-106.00
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020250765	0	32	-2.0	-100.68	278.09	3.71	-96.97
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020250765	1	32	-2.0	-100.60	278.16	3.71	-96.89
O=C([O-])C1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250766	0	35	-2.0	-113.53	307.73	5.24	-108.29
O=C([O-])C1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250766	1	35	-2.0	-113.47	307.79	5.26	-108.21
CC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300020250767	0	34	-2.0	-94.41	293.38	3.78	-90.63
CC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300020250767	1	34	-2.0	-94.38	293.44	3.81	-90.57
O=C([O-])C1=CC(Br)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250768	0	32	-2.0	-105.40	300.52	4.70	-100.70
O=C([O-])C1=CC(Br)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250768	1	32	-2.0	-105.39	300.57	4.72	-100.67
O=C([O-])CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250769	0	35	-2.0	-108.38	301.33	4.88	-103.50
O=C([O-])CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250769	1	35	-2.0	-108.36	301.39	4.90	-103.46
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250770	0	35	-2.0	-118.66	312.81	4.09	-114.57
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250770	1	35	-2.0	-118.62	312.87	4.11	-114.51
O=C([O-])C1CCC(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300020250771	0	41	-2.0	-112.55	327.85	5.49	-107.06
O=C([O-])C1CCC(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300020250771	1	41	-2.0	-112.53	327.91	5.51	-107.02
O=C([O-])C1=C2N=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)N2N=C1	REAL300020250772	0	34	-2.0	-107.85	311.43	3.25	-104.60
O=C([O-])C1=C2N=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)N2N=C1	REAL300020250772	1	34	-2.0	-107.83	311.37	3.23	-104.60
O=C([O-])CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020250773	0	39	-2.0	-125.90	330.24	5.41	-120.49
O=C([O-])CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020250773	1	39	-2.0	-125.94	330.29	5.43	-120.51
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CCCC3C3=N[N-]N=N3)C2=C1	REAL300020250774	0	45	-2.0	-113.24	361.89	7.47	-105.77
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CCCC3C3=NN=N[N-]3)C2=C1	REAL300020250774	1	45	-2.0	-113.23	361.94	7.49	-105.74
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300020250775	0	33	-2.0	-97.46	299.64	4.18	-93.28
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300020250775	1	33	-2.0	-97.40	299.70	4.20	-93.20
O=C([O-])COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250776	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	REAL300020250776	1	36	-2.0	-98.45	310.80	4.45	-94.00
O=C([O-])CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250777	0	35	-2.0	-104.30	301.92	4.93	-99.37
O=C([O-])CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250777	1	35	-2.0	-104.29	301.98	4.94	-99.35
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250778	0	36	-2.0	-100.63	311.81	5.45	-95.18
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250778	1	36	-2.0	-100.64	311.87	5.46	-95.18
O=C([O-])C1=COC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250779	0	33	-2.0	-101.80	301.11	3.96	-97.84
O=C([O-])C1=COC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250779	1	33	-2.0	-101.80	301.17	3.98	-97.82
O=C([O-])C1=C(COCC(=O)N2CCCC2C2=NN=N[N-]2)OC=N1	REAL300020250780	0	35	-2.0	-128.97	315.98	0.35	-128.62
O=C([O-])C1=C(COCC(=O)N2CCCC2C2=N[N-]N=N2)OC=N1	REAL300020250780	1	35	-2.0	-128.99	315.92	0.32	-128.67
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300020250781	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	REAL300020250781	1	33	-2.0	-99.13	302.79	4.34	-94.79
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020250782	0	35	-2.0	-102.46	295.08	4.67	-97.79
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020250782	1	35	-2.0	-102.43	295.14	4.69	-97.74
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250783	0	34	-2.0	-98.75	293.44	2.99	-95.76
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250783	1	34	-2.0	-98.74	293.49	3.01	-95.73
O=C([O-])C1=NN(CCCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250784	0	38	-2.0	-125.62	332.83	4.12	-121.50
O=C([O-])C1=NN(CCCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250784	1	38	-2.0	-125.65	332.77	4.10	-121.55
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300020250785	0	39	-2.0	-117.80	322.76	4.35	-113.45
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300020250785	1	39	-2.0	-117.83	322.81	4.38	-113.45
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300020250786	0	39	-2.0	-109.34	325.86	3.36	-105.98
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300020250786	1	39	-2.0	-109.38	325.92	3.39	-105.99
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250787	0	40	-2.0	-114.72	314.17	5.73	-108.99
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250787	1	40	-2.0	-114.65	314.21	5.75	-108.90
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300020250788	0	41	-1.0	-75.08	324.89	4.78	-70.30
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300020250788	1	41	-1.0	-81.23	318.66	4.75	-76.48
O=C([O-])CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020250789	0	39	-2.0	-125.90	330.24	5.41	-120.49
O=C([O-])CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020250789	1	39	-2.0	-125.94	330.29	5.43	-120.51
O=C([O-])C1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020250790	0	39	-2.0	-127.96	341.08	6.65	-121.31
O=C([O-])C1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020250790	1	39	-2.0	-127.95	341.14	6.68	-121.27
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250791	0	35	-2.0	-107.91	299.44	4.79	-103.12
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250791	1	35	-2.0	-107.94	299.49	4.81	-103.13
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250792	0	34	-2.0	-96.45	289.99	2.93	-93.52
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250792	1	34	-2.0	-96.43	290.05	2.94	-93.49
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250793	0	35	-2.0	-99.81	300.53	4.82	-94.99
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250793	1	35	-2.0	-99.78	300.59	4.84	-94.94
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020250794	0	32	-2.0	-100.67	286.07	4.14	-96.53
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020250794	1	32	-2.0	-100.67	286.13	4.15	-96.52
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300020250795	0	39	-2.0	-105.13	323.59	5.38	-99.75
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300020250795	1	39	-2.0	-105.12	323.64	5.41	-99.71
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250796	0	35	-2.0	-99.01	307.58	2.59	-96.42
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250796	1	35	-2.0	-99.04	307.64	2.61	-96.43
O=C([O-])CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250797	0	38	-2.0	-99.53	323.32	5.73	-93.80
O=C([O-])CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250797	1	38	-2.0	-99.54	323.38	5.75	-93.79
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300020250798	0	36	-2.0	-106.38	316.53	5.03	-101.35
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300020250798	1	36	-2.0	-106.43	316.58	5.05	-101.38
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300020250799	0	32	-2.0	-101.61	290.54	4.03	-97.58
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300020250799	1	32	-2.0	-101.61	290.59	4.05	-97.56
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CCCC1C1=N[N-]N=N1)=C2	REAL300020250800	0	32	-2.0	-100.28	307.61	4.62	-95.66
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CCCC1C1=NN=N[N-]1)=C2	REAL300020250800	1	32	-2.0	-100.28	307.67	4.65	-95.63
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250801	0	36	-2.0	-105.19	320.04	3.77	-101.42
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250801	1	36	-2.0	-105.23	320.10	3.79	-101.44
O=C([O-])C1=C2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)SC2=CC=C1	REAL300020250802	0	35	-2.0	-122.91	313.66	5.42	-117.49
O=C([O-])C1=C2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)SC2=CC=C1	REAL300020250802	1	35	-2.0	-122.94	313.72	5.44	-117.50
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250803	0	37	-2.0	-113.24	316.73	4.02	-109.22
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250803	1	37	-2.0	-113.23	316.79	4.04	-109.19
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250804	0	36	-2.0	-101.63	316.64	5.72	-95.91
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250804	1	36	-2.0	-101.61	316.70	5.74	-95.87
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCC1C1=N[N-]N=N1)=C2	REAL300020250805	0	33	-2.0	-99.94	303.37	3.70	-96.24
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCC1C1=NN=N[N-]1)=C2	REAL300020250805	1	33	-2.0	-99.90	303.43	3.71	-96.19
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCC3C3=N[N-]N=N3)N2)S1	REAL300020250806	0	33	-2.0	-96.63	304.10	3.86	-92.77
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCC3C3=NN=N[N-]3)N2)S1	REAL300020250806	1	33	-2.0	-96.66	304.16	3.87	-92.79
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCC1C1=N[N-]N=N1)=C2	REAL300020250807	0	33	-2.0	-98.49	294.71	2.84	-95.65
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCC1C1=NN=N[N-]1)=C2	REAL300020250807	1	33	-2.0	-98.48	294.76	2.85	-95.63
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250808	0	35	-2.0	-103.24	295.80	4.78	-98.46
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250808	1	35	-2.0	-103.26	295.86	4.80	-98.46
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020250809	0	35	-2.0	-102.83	312.40	3.95	-98.88
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020250809	1	35	-2.0	-102.85	312.46	3.95	-98.90
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250810	0	37	-2.0	-145.26	301.16	3.17	-142.09
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250810	1	37	-2.0	-145.23	301.22	3.18	-142.05
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C12	REAL300020250811	0	38	-2.0	-99.97	319.50	6.29	-93.68
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C12	REAL300020250811	1	38	-2.0	-99.95	319.44	6.28	-93.67
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250812	0	38	-2.0	-114.50	324.42	5.70	-108.80
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250812	1	38	-2.0	-114.51	324.48	5.73	-108.78
O=C([O-])C1=CSC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250813	0	32	-2.0	-110.73	299.28	4.37	-106.36
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CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250864	1	35	-2.0	-93.29	326.03	4.68	-88.61
CSCC[C@H](NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250865	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	REAL300020250865	1	39	-2.0	-102.56	357.11	4.95	-97.61
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250866	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	REAL300020250866	1	35	-2.0	-106.21	326.04	4.68	-101.53
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])S1)C1=N[N-]N=N1	REAL300020250867	0	32	-2.0	-91.16	320.27	3.81	-87.35
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])S1)C1=NN=N[N-]1	REAL300020250867	1	32	-2.0	-91.19	320.32	3.83	-87.36
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300020250868	0	34	-2.0	-99.69	324.09	2.93	-96.76
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300020250868	1	34	-2.0	-99.71	324.15	2.94	-96.77
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(C)C(=O)[O-])C1=N[N-]N=N1	REAL300020250869	0	42	-2.0	-113.38	378.72	6.43	-106.95
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(C)C(=O)[O-])C1=NN=N[N-]1	REAL300020250869	1	42	-2.0	-113.36	378.78	6.44	-106.92
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300020250870	0	46	-2.0	-97.07	408.05	5.61	-91.46
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300020250870	1	46	-2.0	-97.11	408.10	5.63	-91.48
CSCC[C@H](NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250871	0	41	-2.0	-97.19	372.05	6.14	-91.05
CSCC[C@H](NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250871	1	41	-2.0	-97.15	372.10	6.15	-91.00
CSCC[C@H](NC(=O)C1=CC=NC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250872	0	34	-2.0	-105.41	322.06	2.89	-102.52
CSCC[C@H](NC(=O)C1=CC=NC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250872	1	34	-2.0	-105.35	322.12	2.90	-102.45
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250873	0	39	-2.0	-95.76	360.49	5.84	-89.92
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250873	1	39	-2.0	-95.74	360.55	5.86	-89.88
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250874	0	37	-2.0	-86.91	354.14	5.33	-81.58
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250874	1	37	-2.0	-86.93	354.20	5.35	-81.58
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250875	0	37	-2.0	-86.91	354.14	5.33	-81.58
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250875	1	37	-2.0	-86.93	354.20	5.35	-81.58
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020250876	0	42	-2.0	-102.25	374.75	5.99	-96.26
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020250876	1	42	-2.0	-102.24	374.69	5.98	-96.26
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250877	0	32	-2.0	-91.67	312.41	3.05	-88.62
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250877	1	32	-2.0	-91.66	312.47	3.06	-88.60
CSCC[C@H](NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=N[N-]N=N1	REAL300020250878	0	41	-2.0	-119.24	363.44	5.87	-113.37
CSCC[C@H](NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=NN=N[N-]1	REAL300020250878	1	41	-2.0	-119.19	363.50	5.89	-113.30
CSCC[C@H](NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1)C1=N[N-]N=N1	REAL300020250879	0	45	-2.0	-93.98	398.76	6.40	-87.58
CSCC[C@H](NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1)C1=NN=N[N-]1	REAL300020250879	1	45	-2.0	-93.96	398.82	6.41	-87.55
CSCC[C@H](NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250880	0	38	-2.0	-117.00	350.65	5.32	-111.68
CSCC[C@H](NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250880	1	38	-2.0	-117.02	350.71	5.33	-111.69
CSCC[C@H](NC(=O)C1CCCC(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020250881	0	41	-2.0	-106.66	351.60	4.86	-101.80
CSCC[C@H](NC(=O)C1CCCC(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020250881	1	41	-2.0	-106.64	351.65	4.88	-101.76
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=N[N-]N=N1	REAL300020250882	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	REAL300020250882	1	34	-2.0	-93.54	321.91	2.88	-90.66
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020250883	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	REAL300020250883	1	34	-2.0	-88.85	323.38	2.93	-85.92
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=N[N-]N=N1	REAL300020250884	0	40	-2.0	-98.40	335.13	4.09	-94.31
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=NN=N[N-]1	REAL300020250884	1	40	-2.0	-98.37	335.19	4.10	-94.27
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300020250885	0	35	-2.0	-93.39	330.50	4.73	-88.66
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300020250885	1	35	-2.0	-93.38	330.56	4.75	-88.63
CSCC[C@H](NC(=O)C1=CN=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020250886	0	33	-2.0	-88.91	319.02	1.08	-87.83
CSCC[C@H](NC(=O)C1=CN=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL300020250886	1	33	-2.0	-88.90	318.96	1.06	-87.84
CSCC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300020250887	0	41	-2.0	-94.14	350.79	4.86	-89.28
CSCC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1=NN=N[N-]1	REAL300020250887	1	41	-2.0	-94.18	350.84	4.88	-89.30
CSCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300020250888	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	REAL300020250888	1	41	-2.0	-96.45	352.16	4.90	-91.55
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250889	0	38	-2.0	-105.73	350.64	5.33	-100.40
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250889	1	38	-2.0	-105.70	350.70	5.35	-100.35
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])N=N1)C1=NN=N[N-]1	REAL300020250890	0	34	-2.0	-108.65	327.85	1.33	-107.32
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])N=N1)C1=N[N-]N=N1	REAL300020250890	1	34	-2.0	-108.70	327.80	1.31	-107.39
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)C1=N[N-]N=N1	REAL300020250891	0	37	-2.0	-90.01	343.31	3.54	-86.47
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)C1=NN=N[N-]1	REAL300020250891	1	37	-2.0	-90.02	343.37	3.55	-86.47
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250892	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	REAL300020250892	1	35	-2.0	-93.29	326.03	4.68	-88.61
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020250893	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	REAL300020250893	1	38	-2.0	-103.35	334.48	4.21	-99.14
CSCC[C@H](NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250894	0	38	-2.0	-106.40	348.16	5.41	-100.99
CSCC[C@H](NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250894	1	38	-2.0	-106.36	348.22	5.43	-100.93
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C1=N[N-]N=N1	REAL300020250895	0	45	-2.0	-137.95	392.02	8.02	-129.93
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C1=NN=N[N-]1	REAL300020250895	1	45	-2.0	-137.93	392.08	8.03	-129.90
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1)C1=N[N-]N=N1	REAL300020250896	0	35	-2.0	-117.48	328.43	3.56	-113.92
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1)C1=NN=N[N-]1	REAL300020250896	1	35	-2.0	-117.50	328.49	3.58	-113.92
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1C)C1=N[N-]N=N1	REAL300020250897	0	38	-2.0	-117.47	355.28	4.18	-113.29
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1C)C1=NN=N[N-]1	REAL300020250897	1	38	-2.0	-117.48	355.34	4.19	-113.29
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=N1)C1=NN=N[N-]1	REAL300020250898	0	34	-2.0	-99.25	323.63	2.95	-96.30
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=N1)C1=N[N-]N=N1	REAL300020250898	1	34	-2.0	-99.27	323.57	2.94	-96.33
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C1=N[N-]N=N1	REAL300020250899	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	REAL300020250899	1	36	-2.0	-94.63	329.47	4.23	-90.40
CSCC[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300020250900	0	44	-2.0	-103.30	370.78	5.59	-97.71
CSCC[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL300020250900	1	44	-2.0	-103.26	370.84	5.61	-97.65
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C1=N[N-]N=N1	REAL300020250901	0	42	-2.0	-102.00	359.79	5.03	-96.97
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C1=NN=N[N-]1	REAL300020250901	1	42	-2.0	-102.04	359.85	5.04	-97.00
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=N[N-]N=N1	REAL300020250902	0	45	-2.0	-94.79	369.54	5.55	-89.24
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=NN=N[N-]1	REAL300020250902	1	45	-2.0	-94.83	369.60	5.56	-89.27
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=N[N-]N=N1	REAL300020250903	0	40	-2.0	-98.40	335.13	4.09	-94.31
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=NN=N[N-]1	REAL300020250903	1	40	-2.0	-98.37	335.19	4.10	-94.27
CSCC[C@H](NC(=O)CC(C)CC(=O)[O-])C1=N[N-]N=N1	REAL300020250904	0	37	-2.0	-102.50	325.38	3.71	-98.79
CSCC[C@H](NC(=O)CC(C)CC(=O)[O-])C1=NN=N[N-]1	REAL300020250904	1	37	-2.0	-102.55	325.44	3.72	-98.83
CSCC[C@H](NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=NN=N[N-]1	REAL300020250905	0	37	-2.0	-101.87	347.90	3.97	-97.90
CSCC[C@H](NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=N[N-]N=N1	REAL300020250905	1	37	-2.0	-101.89	347.84	3.95	-97.94
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020250906	0	42	-2.0	-113.98	378.11	5.36	-108.62
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020250906	1	42	-2.0	-113.93	378.17	5.37	-108.56
CSCC[C@H](NC(=O)C1=NOC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250907	0	31	-2.0	-87.22	306.90	2.25	-84.97
CSCC[C@H](NC(=O)C1=NOC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250907	1	31	-2.0	-87.20	306.85	2.23	-84.97
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCC1)C1=N[N-]N=N1	REAL300020250908	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	REAL300020250908	1	38	-2.0	-93.62	330.25	4.32	-89.30
CSCC[C@H](NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=N[N-]N=N1	REAL300020250909	0	48	-2.0	-96.80	404.88	7.55	-89.25
CSCC[C@H](NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=NN=N[N-]1	REAL300020250909	1	48	-2.0	-96.82	404.94	7.56	-89.26
CSCC[C@H](NC(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250910	0	35	-2.0	-93.77	329.11	3.79	-89.98
CSCC[C@H](NC(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250910	1	35	-2.0	-93.80	329.16	3.80	-90.00
CSCC[C@H](NC(=O)C1=CC(C)=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250911	0	35	-2.0	-92.81	330.33	3.63	-89.18
CSCC[C@H](NC(=O)C1=CC(C)=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250911	1	35	-2.0	-92.83	330.39	3.64	-89.19
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020250912	0	35	-2.0	-106.22	332.78	2.81	-103.41
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL300020250912	1	35	-2.0	-106.22	332.73	2.79	-103.43
CSCC[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250913	0	36	-2.0	-94.66	345.53	4.24	-90.42
CSCC[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250913	1	36	-2.0	-94.63	345.59	4.25	-90.38
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=N[N-]N=N1	REAL300020250914	0	42	-2.0	-93.64	356.88	5.35	-88.29
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=NN=N[N-]1	REAL300020250914	1	42	-2.0	-93.63	356.94	5.37	-88.26
CSCC[C@H](NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250915	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	REAL300020250915	1	39	-2.0	-93.18	357.04	4.96	-88.22
CSCC[C@H](NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020250916	0	44	-2.0	-99.93	394.27	5.22	-94.71
CSCC[C@H](NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020250916	1	44	-2.0	-99.95	394.33	5.24	-94.71
CSCC[C@H](NC(=O)CCSCC(=O)[O-])C1=N[N-]N=N1	REAL300020250917	0	35	-2.0	-93.94	335.81	3.84	-90.10
CSCC[C@H](NC(=O)CCSCC(=O)[O-])C1=NN=N[N-]1	REAL300020250917	1	35	-2.0	-93.92	335.87	3.86	-90.06
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020250918	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	REAL300020250918	1	34	-2.0	-88.85	323.38	2.93	-85.92
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=NN=N[N-]1	REAL300020250919	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	REAL300020250919	1	35	-2.0	-95.64	328.32	2.32	-93.32
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250920	0	39	-2.0	-108.80	348.27	4.15	-104.65
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250920	1	39	-2.0	-108.80	348.33	4.17	-104.63
CSCC[C@H](NC(=O)C(C)(C)CCC(=O)[O-])C1=N[N-]N=N1	REAL300020250921	0	40	-2.0	-105.06	343.94	4.20	-100.86
CSCC[C@H](NC(=O)C(C)(C)CCC(=O)[O-])C1=NN=N[N-]1	REAL300020250921	1	40	-2.0	-105.03	344.00	4.21	-100.82
CSCC[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250923	0	39	-2.0	-95.21	358.05	5.96	-89.25
CSCC[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250923	1	39	-2.0	-95.17	358.11	5.98	-89.19
CSCC[C@H](NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=N[N-]N=N1	REAL300020250924	0	36	-2.0	-94.95	345.05	4.11	-90.84
CSCC[C@H](NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=NN=N[N-]1	REAL300020250924	1	36	-2.0	-94.93	345.11	4.12	-90.81
CSCC[C@H](NC(=O)C1=CC=CC=C1CCC(=O)[O-])C1=N[N-]N=N1	REAL300020250925	0	41	-2.0	-118.77	361.36	6.20	-112.57
CSCC[C@H](NC(=O)C1=CC=CC=C1CCC(=O)[O-])C1=NN=N[N-]1	REAL300020250925	1	41	-2.0	-118.75	361.41	6.22	-112.53
CSCC[C@H](NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=NN=N[N-]1	REAL300020250926	0	38	-2.0	-119.46	358.81	0.40	-119.06
CSCC[C@H](NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=N[N-]N=N1	REAL300020250926	1	38	-2.0	-119.51	358.75	0.39	-119.12
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250927	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	REAL300020250927	1	36	-2.0	-94.82	346.64	4.47	-90.35
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020250928	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	REAL300020250928	1	38	-2.0	-103.35	334.48	4.21	-99.14
CSCC[C@H](NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250929	0	38	-2.0	-106.63	341.95	5.20	-101.43
CSCC[C@H](NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250929	1	38	-2.0	-106.63	342.00	5.21	-101.42
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250930	0	34	-2.0	-97.12	321.20	2.87	-94.25
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250930	1	34	-2.0	-97.04	321.14	2.85	-94.19
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CN=C1C)C1=N[N-]N=N1	REAL300020250931	0	37	-2.0	-91.13	337.42	3.50	-87.63
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CN=C1C)C1=NN=N[N-]1	REAL300020250931	1	37	-2.0	-91.13	337.47	3.52	-87.61
CSCC[C@H](NC(=O)CN1C=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300020250932	0	35	-2.0	-116.54	332.11	2.83	-113.71
CSCC[C@H](NC(=O)CN1C=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300020250932	1	35	-2.0	-116.53	332.06	2.82	-113.71
CSCC[C@H](NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300020250933	0	41	-2.0	-115.93	375.72	4.19	-111.74
CSCC[C@H](NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300020250933	1	41	-2.0	-115.95	375.66	4.18	-111.77
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250934	0	42	-2.0	-107.50	369.54	4.57	-102.93
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250934	1	42	-2.0	-107.57	369.60	4.58	-102.99
CSCC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=N[N-]N=N1	REAL300020250935	0	42	-2.0	-96.22	368.79	3.44	-92.78
CSCC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=NN=N[N-]1	REAL300020250935	1	42	-2.0	-96.21	368.85	3.46	-92.75
CSCC[C@H](NC(=O)C1=C(C)C=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250936	0	35	-2.0	-92.53	330.21	3.73	-88.80
CSCC[C@H](NC(=O)C1=C(C)C=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250936	1	35	-2.0	-92.56	330.27	3.74	-88.82
CSCC[C@H](NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300020250937	0	43	-2.0	-103.80	355.66	5.76	-98.04
CSCC[C@H](NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300020250937	1	43	-2.0	-103.70	355.73	5.78	-97.92
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)C)C1=N[N-]N=N1	REAL300020250938	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	REAL300020250938	1	37	-2.0	-106.78	321.48	3.75	-103.03
CSCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300020250939	0	41	-2.0	-123.87	339.36	5.40	-118.47
CSCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300020250939	1	41	-2.0	-123.87	339.42	5.41	-118.46
CSCC[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020250940	0	44	-1.0	-71.29	360.80	4.45	-66.84
CSCC[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020250940	1	44	-1.0	-74.26	361.67	4.92	-69.34
CSCC[C@H](NC(=O)CN1CCCC(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020250940	1	43	-2.0	-96.80	365.16	2.70	-94.10
CSCC[C@H](NC(=O)CN1CCCC(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020250940	1	43	-2.0	-96.77	365.21	2.71	-94.06
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020250941	0	42	-2.0	-107.87	375.90	6.59	-101.28
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020250941	1	42	-2.0	-107.87	375.96	6.60	-101.27
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020250942	0	42	-2.0	-113.98	378.11	5.36	-108.62
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020250942	1	42	-2.0	-113.93	378.17	5.37	-108.56
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020250943	0	42	-2.0	-109.97	383.99	6.77	-103.20
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020250943	1	42	-2.0	-109.97	384.05	6.79	-103.18
CSCC[C@H](NC(=O)C1CC2(CC2C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020250944	0	39	-2.0	-98.27	348.36	5.01	-93.26
CSCC[C@H](NC(=O)C1CC2(CC2C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020250944	1	39	-2.0	-98.24	348.42	5.02	-93.22
CSCC[C@H](NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)C1=N[N-]N=N1	REAL300020250945	0	41	-2.0	-111.11	359.23	5.70	-105.41
CSCC[C@H](NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)C1=NN=N[N-]1	REAL300020250945	1	41	-2.0	-111.08	359.29	5.71	-105.37
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=N[N-]N=N1	REAL300020250946	0	38	-2.0	-97.87	342.01	5.33	-92.54
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=NN=N[N-]1	REAL300020250946	1	38	-2.0	-97.89	342.06	5.34	-92.55
CSCC[C@H](NC(=O)C1CC(C)(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020250947	0	38	-2.0	-91.69	335.09	4.06	-87.63
CSCC[C@H](NC(=O)C1CC(C)(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020250947	1	38	-2.0	-91.66	335.15	4.08	-87.58
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])SC=C1)C1=N[N-]N=N1	REAL300020250948	0	32	-2.0	-117.67	313.76	4.58	-113.09
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])SC=C1)C1=NN=N[N-]1	REAL300020250948	1	32	-2.0	-117.66	313.81	4.59	-113.07
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1)C1=N[N-]N=N1	REAL300020250949	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	REAL300020250949	1	32	-2.0	-96.89	309.90	1.08	-95.81
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020250950	0	37	-2.0	-93.57	331.65	3.42	-90.15
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020250950	1	37	-2.0	-93.57	331.71	3.44	-90.13
CCCC(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020250951	0	37	-2.0	-91.89	325.95	4.05	-87.84
CCCC(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020250951	1	37	-2.0	-91.88	326.00	4.07	-87.81
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300020250952	0	38	-2.0	-92.86	341.99	5.33	-87.53
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300020250952	1	38	-2.0	-92.84	342.05	5.35	-87.49
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL300020250953	0	35	-2.0	-91.94	338.46	5.17	-86.77
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL300020250953	1	35	-2.0	-91.94	338.51	5.18	-86.76
CSCC[C@H](NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=N[N-]N=N1	REAL300020250954	0	42	-2.0	-98.24	366.91	5.51	-92.73
CSCC[C@H](NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=NN=N[N-]1	REAL300020250954	1	42	-2.0	-98.24	366.96	5.53	-92.71
COC1=CC(C(=O)[O-])=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020250955	0	38	-2.0	-97.08	353.83	2.26	-94.82
COC1=CC(C(=O)[O-])=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020250955	1	38	-2.0	-97.10	353.88	2.27	-94.83
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N1C)C1=N[N-]N=N1	REAL300020250956	0	36	-2.0	-95.33	328.91	3.86	-91.47
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N1C)C1=NN=N[N-]1	REAL300020250956	1	36	-2.0	-95.36	328.97	3.87	-91.49
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C1=N[N-]N=N1	REAL300020250957	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	REAL300020250957	1	36	-2.0	-93.18	322.50	4.19	-88.99
CSCC[C@H](NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250958	0	41	-2.0	-93.68	369.55	6.23	-87.45
CSCC[C@H](NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250958	1	41	-2.0	-93.70	369.61	6.24	-87.46
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C(C)=NN1)C1=N[N-]N=N1	REAL300020250959	0	35	-2.0	-109.66	321.53	2.46	-107.20
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C(C)=NN1)C1=NN=N[N-]1	REAL300020250959	1	35	-2.0	-109.67	321.58	2.47	-107.20
CSCC[C@H](NC(=O)CC1(CC(=O)[O-])CC1)C1=N[N-]N=N1	REAL300020250960	0	38	-2.0	-95.18	337.91	4.39	-90.79
CSCC[C@H](NC(=O)CC1(CC(=O)[O-])CC1)C1=NN=N[N-]1	REAL300020250960	1	38	-2.0	-95.15	337.96	4.41	-90.74
CSCC[C@H](NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=N[N-]N=N1	REAL300020250961	0	39	-2.0	-93.31	360.05	5.16	-88.15
CSCC[C@H](NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=NN=N[N-]1	REAL300020250961	1	39	-2.0	-93.33	360.11	5.17	-88.16
CSCC[C@H](NC(=O)C1=CSC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300020250962	0	31	-2.0	-94.20	315.70	1.81	-92.39
CSCC[C@H](NC(=O)C1=CSC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300020250962	1	31	-2.0	-94.17	315.64	1.79	-92.38
CSCC[C@H](NC(=O)C1=C(C)SC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250963	0	35	-2.0	-94.95	336.40	4.51	-90.44
CSCC[C@H](NC(=O)C1=C(C)SC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250963	1	35	-2.0	-94.95	336.46	4.52	-90.43
CSCC[C@H](NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1=N[N-]N=N1	REAL300020250964	0	35	-2.0	-91.80	355.78	5.23	-86.57
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020250965	0	39	-2.0	-100.31	363.69	4.35	-95.96
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020250965	1	39	-2.0	-100.30	363.74	4.37	-95.93
CSCC[C@H](NC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020250966	0	38	-2.0	-92.89	354.02	5.05	-87.84
CSCC[C@H](NC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020250966	1	38	-2.0	-92.93	354.08	5.07	-87.86
CSCC[C@H](NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=N[N-]N=N1	REAL300020250967	0	38	-2.0	-110.98	361.15	5.92	-105.06
CSCC[C@H](NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=NN=N[N-]1	REAL300020250967	1	38	-2.0	-110.93	361.20	5.94	-104.99
CSCC[C@H](NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=N[N-]N=N1	REAL300020250968	0	40	-2.0	-103.89	359.58	4.11	-99.78
CSCC[C@H](NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=NN=N[N-]1	REAL300020250968	1	40	-2.0	-103.87	359.64	4.12	-99.75
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)CO2)C1=N[N-]N=N1	REAL300020250969	0	37	-2.0	-94.28	336.63	2.13	-92.15
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)CO2)C1=NN=N[N-]1	REAL300020250969	1	37	-2.0	-94.29	336.68	2.14	-92.15
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250970	0	39	-2.0	-95.76	360.49	5.84	-89.92
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250970	1	39	-2.0	-95.74	360.55	5.86	-89.88
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=N[N-]N=N1	REAL300020250971	0	42	-2.0	-93.64	356.88	5.35	-88.29
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=NN=N[N-]1	REAL300020250971	1	42	-2.0	-93.63	356.94	5.37	-88.26
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C=NN1C)C1=NN=N[N-]1	REAL300020250972	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	REAL300020250972	1	35	-2.0	-97.21	332.04	2.07	-95.14
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=N[N-]N=N1	REAL300020250973	0	36	-2.0	-95.82	351.14	3.67	-92.15
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=NN=N[N-]1	REAL300020250973	1	36	-2.0	-95.80	351.20	3.69	-92.11
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=N[N-]N=N1	REAL300020250974	0	36	-2.0	-91.33	351.33	3.81	-87.52
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=NN=N[N-]1	REAL300020250974	1	36	-2.0	-91.33	351.39	3.82	-87.51
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=N[N-]N=N1	REAL300020250975	0	36	-2.0	-94.19	342.50	2.81	-91.38
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=NN=N[N-]1	REAL300020250975	1	36	-2.0	-94.26	342.56	2.83	-91.43
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020250976	0	38	-2.0	-101.36	336.13	5.20	-96.16
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020250976	1	38	-2.0	-101.36	336.19	5.22	-96.14
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=N[N-]N=N1	REAL300020250977	0	38	-2.0	-97.60	356.27	4.07	-93.53
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=NN=N[N-]1	REAL300020250977	1	38	-2.0	-97.60	356.33	4.08	-93.52
C=C1CCC1(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020250978	0	36	-2.0	-110.13	327.85	3.94	-106.19
C=C1CCC1(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020250978	1	36	-2.0	-110.15	327.91	3.96	-106.19
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CS1)C1=N[N-]N=N1	REAL300020250979	0	32	-2.0	-100.49	319.19	3.67	-96.82
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CS1)C1=NN=N[N-]1	REAL300020250979	1	32	-2.0	-100.51	319.25	3.68	-96.83
CSCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300020250980	0	40	-2.0	-109.65	344.32	2.82	-106.83
CSCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300020250980	1	40	-2.0	-109.60	344.38	2.86	-106.74
CSCC[C@H](NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=N[N-]N=N1	REAL300020250981	0	41	-2.0	-95.85	361.98	6.72	-89.13
CSCC[C@H](NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=NN=N[N-]1	REAL300020250981	1	41	-2.0	-95.85	362.04	6.74	-89.11
CSCC[C@H](NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300020250982	0	41	-2.0	-112.84	354.64	5.59	-107.25
CSCC[C@H](NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300020250982	1	41	-2.0	-112.85	354.69	5.61	-107.24
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300020250983	0	41	-2.0	-106.03	367.36	5.79	-100.24
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300020250983	1	41	-2.0	-106.05	367.41	5.81	-100.24
CSCC[C@H](NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=N[N-]N=N1	REAL300020250984	0	35	-2.0	-111.71	342.19	4.47	-107.24
CSCC[C@H](NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=NN=N[N-]1	REAL300020250984	1	35	-2.0	-111.74	342.25	4.48	-107.26
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=N[N-]N=N1	REAL300020250985	0	38	-2.0	-106.57	355.19	5.35	-101.22
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=NN=N[N-]1	REAL300020250985	1	38	-2.0	-106.59	355.25	5.37	-101.22
CSCC[C@H](NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1=N[N-]N=N1	REAL300020250986	0	38	-2.0	-104.19	332.65	4.19	-100.00
CSCC[C@H](NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1=NN=N[N-]1	REAL300020250986	1	38	-2.0	-104.14	332.70	4.21	-99.93
CSCC[C@H](NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=N[N-]N=N1	REAL300020250987	0	42	-2.0	-93.82	374.98	6.18	-87.64
CSCC[C@H](NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=NN=N[N-]1	REAL300020250987	1	42	-2.0	-93.85	375.04	6.20	-87.65
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=N[N-]N=N1	REAL300020250988	0	45	-2.0	-94.79	369.54	5.55	-89.24
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=NN=N[N-]1	REAL300020250988	1	45	-2.0	-94.83	369.60	5.56	-89.27
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=N[N-]N=N3)C[C@H]2C1	REAL300020250989	0	41	-1.0	-83.08	323.48	4.86	-78.22
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=N[N-]N=N3)C[C@H]2C1	REAL300020250989	1	41	-1.0	-103.15	323.43	4.51	-98.64
C[N@@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NN=N[N-]3)C[C@H]2C1	REAL300020250989	1	41	-1.0	-83.04	323.53	4.87	-78.17
C[N@H+]1CC[C@@]2(C(=O)[O-])CN(C(=O)CCC3=NN=N[N-]3)C[C@H]2C1	REAL300020250989	1	41	-1.0	-103.10	323.49	4.52	-98.58
O=C([O-])C1=CSC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020250990	0	36	-2.0	-94.50	322.52	2.52	-91.98
O=C([O-])C1=CSC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020250990	1	36	-2.0	-94.51	322.46	2.50	-92.01
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CC(COCC2=CC=CC=C2)C1	REAL300020250991	0	45	-2.0	-105.04	384.71	6.07	-98.97
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CC(COCC2=CC=CC=C2)C1	REAL300020250991	1	45	-2.0	-104.97	384.77	6.08	-98.89
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020250992	0	39	-2.0	-102.46	326.26	6.91	-95.55
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020250992	1	39	-2.0	-102.47	326.32	6.92	-95.55
O=C([O-])C1=CC(Br)=C2OCCN(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020250993	0	36	-2.0	-95.46	331.38	5.15	-90.31
O=C([O-])C1=CC(Br)=C2OCCN(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020250993	1	36	-2.0	-95.41	331.44	5.17	-90.24
CC(C)(C(=O)[O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020250994	0	40	-2.0	-107.92	323.63	5.90	-102.02
CC(C)(C(=O)[O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020250994	1	40	-2.0	-107.94	323.69	5.92	-102.02
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCC1=N[N-]N=N1	REAL300020250995	0	44	-1.0	-83.44	366.68	5.68	-77.76
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCC1=N[N-]N=N1	REAL300020250995	1	44	-1.0	-81.61	363.14	6.41	-75.20
O=C([O-])C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCC1=NN=N[N-]1	REAL300020250995	1	44	-1.0	-83.44	366.74	5.69	-77.75
O=C([O-])C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCC1=NN=N[N-]1	REAL300020250995	1	44	-1.0	-81.58	363.20	6.43	-75.15
O=C([O-])CC1=CSC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020250996	0	40	-2.0	-90.87	350.98	4.71	-86.16
O=C([O-])CC1=CSC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020250996	1	40	-2.0	-90.85	351.04	4.72	-86.13
O=C([O-])C1=CC=C(CN(C(=O)CCC2=N[N-]N=N2)C2CC2)C=C1	REAL300020250997	0	38	-2.0	-96.76	319.97	6.39	-90.37
O=C([O-])C1=CC=C(CN(C(=O)CCC2=NN=N[N-]2)C2CC2)C=C1	REAL300020250997	1	38	-2.0	-96.75	320.03	6.41	-90.34
O=C([O-])C1=CN=C(C2CCCN2C(=O)CCC2=N[N-]N=N2)N=C1	REAL300020250998	0	36	-2.0	-94.43	319.16	3.40	-91.03
O=C([O-])C1=CN=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)N=C1	REAL300020250998	1	36	-2.0	-94.42	319.21	3.42	-91.00
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL300020250999	0	35	-2.0	-106.99	315.13	3.75	-103.24
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL300020250999	1	35	-2.0	-107.00	315.19	3.76	-103.24
CCN(C(=O)CCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020251000	0	40	-2.0	-93.98	330.89	6.62	-87.36
CCN(C(=O)CCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020251000	1	40	-2.0	-93.93	330.94	6.64	-87.29
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251001	0	41	-2.0	-93.54	341.35	6.78	-86.76
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251001	1	41	-2.0	-93.53	341.40	6.79	-86.74
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020251002	0	39	-2.0	-89.42	338.60	3.13	-86.29
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020251002	1	39	-2.0	-89.40	338.66	3.15	-86.25
O=C([O-])C1=CSC(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=N1	REAL300020251003	0	37	-2.0	-100.46	329.38	3.96	-96.50
O=C([O-])C1=CSC(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300020251003	1	37	-2.0	-100.47	329.44	3.97	-96.50
O=C([O-])C1=CN(CCC2CCCCN2C(=O)CCC2=NN=N[N-]2)N=N1	REAL300020251004	0	43	-2.0	-104.16	355.61	4.22	-99.94
O=C([O-])C1=CN(CCC2CCCCN2C(=O)CCC2=N[N-]N=N2)N=N1	REAL300020251004	1	43	-2.0	-104.20	355.55	4.20	-100.00
CC(C1=CC=CC=C1)C(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020251005	0	37	-2.0	-97.08	320.62	4.88	-92.20
CC(C1=CC=CC=C1)C(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020251005	1	37	-2.0	-97.06	320.68	4.89	-92.17
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020251006	0	40	-2.0	-92.64	340.53	3.08	-89.56
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020251006	1	40	-2.0	-92.66	340.59	3.10	-89.56
O=C([O-])C1=CC=CC2=C1CN(C(=O)CCC1=N[N-]N=N1)CCO2	REAL300020251007	0	36	-2.0	-104.69	309.45	4.87	-99.82
O=C([O-])C1=CC=CC2=C1CN(C(=O)CCC1=NN=N[N-]1)CCO2	REAL300020251007	1	36	-2.0	-104.68	309.50	4.88	-99.80
O=C([O-])C1=NN(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020251008	0	38	-2.0	-96.20	324.75	4.16	-92.04
O=C([O-])C1=NN(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020251008	1	38	-2.0	-96.19	324.69	4.15	-92.04
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020251009	0	34	-2.0	-94.75	314.67	4.48	-90.27
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020251009	1	34	-2.0	-94.73	314.73	4.50	-90.23
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)CCC3=N[N-]N=N3)CCC2=C1	REAL300020251010	0	39	-2.0	-93.12	336.92	2.81	-90.31
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)CCC3=NN=N[N-]3)CCC2=C1	REAL300020251010	1	39	-2.0	-93.13	336.97	2.83	-90.30
O=C([O-])C1=CC2=C(CN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300020251011	0	32	-2.0	-91.82	293.60	4.78	-87.04
O=C([O-])C1=CC2=C(CN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300020251011	1	32	-2.0	-91.85	293.66	4.80	-87.05
CC1(C)CC(NC(=O)CCC2=N[N-]N=N2)(C(=O)[O-])CC(C)(C)O1	REAL300020251012	0	44	-2.0	-100.69	340.68	4.61	-96.08
CC1(C)CC(NC(=O)CCC2=NN=N[N-]2)(C(=O)[O-])CC(C)(C)O1	REAL300020251012	1	44	-2.0	-100.72	340.74	4.62	-96.10
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CC1(C)OC2(CNC(=O)CCC3=N[N-]N=N3)CC1(C(=O)[O-])C2	REAL300020251039	0	39	-2.0	-85.33	324.78	1.88	-83.45
CC1(C)OC2(CNC(=O)CCC3=NN=N[N-]3)CC1(C(=O)[O-])C2	REAL300020251039	1	39	-2.0	-85.31	324.84	1.89	-83.42
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CC(CC(=O)[O-])(NC(=O)CCC1=N[N-]N=N1)C1=CC=CN=C1	REAL300020251048	0	36	-2.0	-97.38	303.62	3.27	-94.11
CC(CC(=O)[O-])(NC(=O)CCC1=NN=N[N-]1)C1=CC=CN=C1	REAL300020251048	1	36	-2.0	-97.35	303.68	3.29	-94.06
CC12CC3(C)CC(NC(=O)CCC4=N[N-]N=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300020251049	0	48	-2.0	-106.35	360.97	5.38	-100.97
CC12CC3(C)CC(NC(=O)CCC4=NN=N[N-]4)(C1)CC(C(=O)[O-])(C2)C3	REAL300020251049	1	48	-2.0	-106.37	361.02	5.40	-100.97
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O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251116	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	REAL300020251116	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)S1	REAL300020251117	0	35	-2.0	-100.12	301.32	5.09	-95.03
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020251117	1	35	-2.0	-100.10	301.36	5.10	-95.00
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020251118	0	37	-2.0	-102.13	302.42	4.99	-97.14
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020251118	1	37	-2.0	-102.07	302.48	4.99	-97.08
CCOC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300020251119	0	49	-2.0	-101.54	390.67	6.91	-94.63
CCOC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300020251119	1	49	-2.0	-101.52	390.70	6.93	-94.59
O=C([O-])C1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251120	0	44	-2.0	-96.64	357.85	7.47	-89.17
O=C([O-])C1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251120	1	44	-2.0	-96.66	357.92	7.49	-89.17
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020251121	0	37	-2.0	-107.83	304.19	4.19	-103.64
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020251121	1	37	-2.0	-107.84	304.24	4.19	-103.65
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251122	0	42	-2.0	-99.70	340.48	7.50	-92.20
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251122	1	42	-2.0	-99.70	340.54	7.50	-92.20
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020251123	0	40	-2.0	-98.42	338.92	6.78	-91.64
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020251123	1	40	-2.0	-98.42	338.96	6.79	-91.63
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020251124	0	40	-2.0	-98.42	338.92	6.78	-91.64
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020251124	1	40	-2.0	-98.42	338.96	6.79	-91.63
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251125	0	48	-2.0	-97.30	383.18	7.51	-89.79
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251125	1	48	-2.0	-97.36	383.20	7.53	-89.83
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020251126	0	35	-2.0	-97.83	290.48	4.70	-93.13
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020251126	1	35	-2.0	-97.82	290.53	4.70	-93.12
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251127	0	44	-2.0	-108.79	344.13	7.55	-101.24
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251127	1	44	-2.0	-108.76	344.19	7.56	-101.20
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1OCC(=O)[O-]	REAL300020251128	0	48	-2.0	-98.30	383.68	7.77	-90.53
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1OCC(=O)[O-]	REAL300020251128	1	48	-2.0	-98.36	383.71	7.78	-90.58
O=C([O-])C1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251129	0	41	-2.0	-110.26	331.77	7.05	-103.21
O=C([O-])C1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251129	1	41	-2.0	-110.20	331.82	7.07	-103.13
O=C([O-])C1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020251130	0	44	-2.0	-123.09	321.03	6.24	-116.85
O=C([O-])C1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020251130	1	44	-2.0	-123.15	321.05	6.26	-116.89
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020251131	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	REAL300020251131	1	37	-2.0	-100.78	306.45	4.32	-96.46
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020251132	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	REAL300020251132	1	37	-2.0	-95.38	301.76	4.99	-90.39
CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251133	0	43	-2.0	-106.31	313.20	5.81	-100.50
CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251133	1	43	-2.0	-106.26	313.29	5.82	-100.44
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020251134	0	38	-2.0	-98.36	311.96	5.92	-92.44
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020251134	1	38	-2.0	-98.39	311.91	5.93	-92.46
O=C([O-])C1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020251135	0	36	-2.0	-96.18	297.29	3.14	-93.04
O=C([O-])C1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020251135	1	36	-2.0	-96.16	297.23	3.13	-93.03
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020251136	0	44	-2.0	-101.20	329.99	6.27	-94.93
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020251136	1	44	-2.0	-101.24	330.04	6.29	-94.95
O=C([O-])C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020251137	0	44	-2.0	-135.32	320.60	6.21	-129.11
O=C([O-])C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020251137	1	44	-2.0	-135.35	320.63	6.22	-129.13
O=C([O-])C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251138	0	41	-2.0	-108.26	336.20	6.61	-101.65
O=C([O-])C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251138	1	41	-2.0	-108.27	336.27	6.62	-101.65
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020251139	0	37	-2.0	-112.17	312.59	2.69	-109.48
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020251139	1	37	-2.0	-112.25	312.53	2.68	-109.57
CC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300020251140	0	40	-2.0	-94.97	318.17	5.48	-89.49
CC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300020251140	1	40	-2.0	-94.95	318.22	5.48	-89.47
O=C([O-])C1=CC(Br)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251141	0	38	-2.0	-98.72	332.03	6.72	-92.00
O=C([O-])C1=CC(Br)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251141	1	38	-2.0	-98.72	332.07	6.74	-91.98
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251142	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	REAL300020251142	1	38	-2.0	-99.26	306.59	5.91	-93.35
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020251143	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	REAL300020251143	1	41	-2.0	-106.40	317.02	5.38	-101.02
O=C([O-])CC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251144	0	41	-2.0	-108.13	332.88	6.88	-101.25
O=C([O-])CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251144	1	41	-2.0	-108.17	332.93	6.90	-101.27
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CO1	REAL300020251145	0	38	-2.0	-111.13	307.74	4.84	-106.29
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CO1	REAL300020251145	1	38	-2.0	-111.17	307.73	4.84	-106.33
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251146	0	41	-2.0	-111.52	341.35	5.47	-106.05
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251146	1	41	-2.0	-111.49	341.41	5.48	-106.01
O=C([O-])C1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251147	0	37	-2.0	-108.80	302.22	5.02	-103.78
O=C([O-])C1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251147	1	37	-2.0	-108.79	302.16	5.00	-103.79
O=C([O-])C1CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020251148	0	47	-2.0	-111.30	348.37	7.37	-103.93
O=C([O-])C1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020251148	1	47	-2.0	-111.29	348.40	7.37	-103.92
CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251149	0	43	-2.0	-106.31	313.20	5.81	-100.50
CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251149	1	43	-2.0	-106.26	313.29	5.82	-100.44
O=C([O-])C1=C2N=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2N=C1	REAL300020251150	0	40	-2.0	-112.50	329.09	5.47	-107.03
O=C([O-])C1=C2N=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2N=C1	REAL300020251150	1	40	-2.0	-112.52	329.04	5.46	-107.06
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020251151	0	45	-2.0	-116.72	358.85	7.07	-109.65
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020251151	1	45	-2.0	-116.77	358.88	7.07	-109.70
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020251152	0	34	-2.0	-97.14	285.25	4.13	-93.01
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020251152	1	34	-2.0	-97.16	285.20	4.11	-93.05
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020251153	0	51	-2.0	-98.77	384.17	9.35	-89.42
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020251153	1	51	-2.0	-98.82	384.20	9.37	-89.45
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300020251154	0	38	-2.0	-102.13	309.45	4.95	-97.18
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300020251154	1	38	-2.0	-102.18	309.51	4.98	-97.20
CC1=C(C(=O)[O-])OC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251155	0	38	-2.0	-97.09	308.26	5.20	-91.89
CC1=C(C(=O)[O-])OC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251155	1	38	-2.0	-97.17	308.31	5.20	-91.97
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020251156	0	38	-2.0	-108.07	317.52	4.18	-103.89
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020251156	1	38	-2.0	-108.03	317.46	4.17	-103.86
O=C([O-])C=CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020251157	0	39	-2.0	-97.31	323.80	5.88	-91.43
O=C([O-])C=CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020251157	1	39	-2.0	-97.29	323.86	5.88	-91.41
O=C([O-])COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251158	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	REAL300020251158	1	42	-2.0	-97.40	337.60	6.18	-91.22
O=C([O-])CSCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251159	0	38	-2.0	-100.00	316.75	5.52	-94.48
O=C([O-])CSCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251159	1	38	-2.0	-100.02	316.80	5.53	-94.49
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020251160	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	REAL300020251160	1	37	-2.0	-95.38	301.76	4.99	-90.39
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251161	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	REAL300020251161	1	38	-2.0	-96.57	311.11	3.54	-93.03
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)O[C@H]1C(=O)[O-]	REAL300020251162	0	42	-2.0	-119.04	325.80	5.45	-113.59
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)O[C@H]1C(=O)[O-]	REAL300020251162	1	42	-2.0	-119.07	325.85	5.47	-113.60
O=C([O-])CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251163	0	41	-2.0	-104.82	328.78	6.66	-98.16
O=C([O-])CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251163	1	41	-2.0	-104.94	328.78	6.68	-98.26
O=C([O-])C=CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251164	0	42	-2.0	-98.55	338.67	7.16	-91.39
O=C([O-])C=CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251164	1	42	-2.0	-98.57	338.67	7.18	-91.39
O=C([O-])C1=COC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251165	0	39	-2.0	-101.35	324.69	5.74	-95.61
O=C([O-])C1=COC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251165	1	39	-2.0	-101.39	324.74	5.75	-95.64
O=C([O-])C1=C(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)OC=N1	REAL300020251166	0	41	-2.0	-114.44	344.62	1.59	-112.85
O=C([O-])C1=C(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)OC=N1	REAL300020251166	1	41	-2.0	-114.43	344.56	1.57	-112.86
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020251167	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	REAL300020251167	1	39	-2.0	-97.93	326.26	6.08	-91.85
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020251168	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	REAL300020251168	1	41	-2.0	-106.40	317.02	5.38	-101.02
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020251169	0	41	-2.0	-108.34	324.58	6.48	-101.86
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020251169	1	41	-2.0	-108.39	324.62	6.47	-101.92
O=C([O-])C1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251170	0	37	-2.0	-100.32	303.76	4.13	-96.19
O=C([O-])C1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251170	1	37	-2.0	-100.31	303.72	4.12	-96.19
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251171	0	40	-2.0	-101.03	321.68	4.81	-96.22
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251171	1	40	-2.0	-101.01	321.73	4.82	-96.19
O=C([O-])C1=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251172	0	38	-2.0	-126.32	316.85	4.20	-122.12
O=C([O-])C1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251172	1	38	-2.0	-126.35	316.79	4.19	-122.16
O=C([O-])C1=NN(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251173	0	44	-2.0	-132.75	356.83	5.94	-126.81
O=C([O-])C1=NN(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251173	1	44	-2.0	-132.76	356.77	5.92	-126.84
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020251174	0	45	-2.0	-109.84	353.15	5.62	-104.22
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020251174	1	45	-2.0	-109.81	353.22	5.63	-104.18
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020251175	0	45	-2.0	-99.25	353.82	4.74	-94.51
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020251175	1	45	-2.0	-99.27	353.88	4.75	-94.52
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(C(=O)[O-])=C1	REAL300020251176	0	38	-2.0	-94.34	308.13	5.39	-88.95
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(C(=O)[O-])=C1	REAL300020251176	1	38	-2.0	-94.32	308.19	5.40	-88.92
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251177	0	46	-2.0	-132.23	326.05	7.63	-124.60
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251177	1	46	-2.0	-132.27	326.10	7.63	-124.64
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251178	0	44	-2.0	-137.36	316.86	6.12	-131.24
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251178	1	44	-2.0	-137.38	316.89	6.13	-131.25
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020251179	0	47	-1.0	-70.38	347.62	6.64	-63.74
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020251179	1	47	-1.0	-91.85	342.71	6.55	-85.30
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020251180	0	45	-2.0	-116.72	358.85	7.07	-109.65
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020251180	1	45	-2.0	-116.77	358.88	7.07	-109.70
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020251181	0	45	-2.0	-115.00	364.96	8.41	-106.59
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020251181	1	45	-2.0	-114.97	365.01	8.43	-106.54
O=C([O-])C1CC12CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020251182	0	42	-2.0	-116.77	330.04	6.71	-110.06
O=C([O-])C1CC12CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020251182	1	42	-2.0	-116.80	330.10	6.74	-110.06
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251183	0	44	-2.0	-119.06	336.95	6.43	-112.63
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251183	1	44	-2.0	-119.07	337.00	6.45	-112.62
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251184	0	41	-2.0	-119.27	328.87	7.00	-112.27
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251184	1	41	-2.0	-119.33	328.93	7.02	-112.31
CC1(C(=O)[O-])CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020251185	0	41	-2.0	-90.26	319.59	5.28	-84.98
CC1(C(=O)[O-])CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020251185	1	41	-2.0	-90.31	319.65	5.31	-85.00
O=C([O-])C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251186	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	REAL300020251186	1	35	-2.0	-104.94	288.81	2.67	-102.27
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251187	0	40	-2.0	-100.73	319.35	5.04	-95.69
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251187	1	40	-2.0	-100.67	319.39	5.04	-95.63
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251188	0	41	-2.0	-104.66	329.94	7.13	-97.53
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251188	1	41	-2.0	-104.70	329.98	7.12	-97.58
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020251189	0	38	-2.0	-96.73	320.31	6.35	-90.38
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020251189	1	38	-2.0	-96.82	320.27	6.35	-90.47
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020251190	0	45	-2.0	-95.60	351.37	6.76	-88.84
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020251190	1	45	-2.0	-95.61	351.43	6.77	-88.84
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251191	0	41	-2.0	-101.07	332.17	4.30	-96.77
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251191	1	41	-2.0	-101.08	332.23	4.30	-96.78
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251192	0	39	-2.0	-101.98	307.04	4.96	-97.02
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251192	1	39	-2.0	-101.95	307.08	4.98	-96.97
O=C([O-])CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251193	0	44	-2.0	-98.39	350.18	7.47	-90.92
O=C([O-])CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251193	1	44	-2.0	-98.40	350.18	7.48	-90.92
O=C([O-])CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020251194	0	41	-2.0	-116.49	312.97	5.71	-110.78
O=C([O-])CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020251194	1	41	-2.0	-116.51	313.08	5.71	-110.80
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020251195	0	42	-2.0	-92.76	340.70	6.85	-85.91
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020251195	1	42	-2.0	-92.80	340.75	6.87	-85.93
O=C([O-])C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020251196	0	34	-2.0	-96.23	293.69	3.93	-92.30
O=C([O-])C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020251196	1	34	-2.0	-96.26	293.64	3.93	-92.33
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300020251197	0	38	-2.0	-103.47	318.40	5.66	-97.81
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300020251197	1	38	-2.0	-103.47	318.43	5.68	-97.79
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020251198	0	38	-2.0	-97.20	335.54	6.45	-90.75
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020251198	1	38	-2.0	-97.19	335.60	6.45	-90.74
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251199	0	42	-2.0	-105.30	345.34	5.55	-99.75
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251199	1	42	-2.0	-105.35	345.32	5.57	-99.78
O=C([O-])C1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=CC=C1	REAL300020251200	0	41	-2.0	-114.99	342.24	7.15	-107.84
O=C([O-])C1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=CC=C1	REAL300020251200	1	41	-2.0	-115.00	342.30	7.16	-107.84
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251201	0	43	-2.0	-110.68	344.80	5.41	-105.27
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251201	1	43	-2.0	-110.66	344.86	5.40	-105.26
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251202	0	42	-2.0	-99.70	340.48	7.50	-92.20
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251202	1	42	-2.0	-99.70	340.54	7.50	-92.20
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020251203	0	39	-2.0	-96.19	332.74	5.41	-90.78
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020251203	1	39	-2.0	-96.27	332.86	5.43	-90.84
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2)S1	REAL300020251204	0	39	-2.0	-97.10	330.32	5.53	-91.57
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2)S1	REAL300020251204	1	39	-2.0	-97.15	330.38	5.54	-91.61
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020251205	0	39	-2.0	-101.28	321.42	4.54	-96.74
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020251205	1	39	-2.0	-101.26	321.50	4.54	-96.72
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251206	0	41	-2.0	-104.20	319.32	6.53	-97.67
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251206	1	41	-2.0	-104.24	319.37	6.55	-97.69
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020251207	0	41	-2.0	-100.63	335.87	5.71	-94.92
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020251207	1	41	-2.0	-100.66	335.92	5.71	-94.95
O=C([O-])C1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251208	0	35	-2.0	-105.00	300.14	4.90	-100.10
O=C([O-])C1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251208	1	35	-2.0	-105.03	300.20	4.90	-100.13
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251209	0	43	-2.0	-137.70	316.83	4.23	-133.47
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251209	1	43	-2.0	-137.77	317.00	4.25	-133.52
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C12	REAL300020251210	0	44	-2.0	-102.91	349.77	8.51	-94.40
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C12	REAL300020251210	1	44	-2.0	-102.99	349.82	8.51	-94.48
CC(C)[C@]1(C(=O)N2CCCCC2CC2=N[N-]N=N2)C[C@H]1C(=O)[O-]	REAL300020251211	0	44	-2.0	-109.22	328.32	6.00	-103.22
CC(C)[C@]1(C(=O)N2CCCCC2CC2=NN=N[N-]2)C[C@H]1C(=O)[O-]	REAL300020251211	1	44	-2.0	-109.71	328.01	6.00	-103.71
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251212	0	44	-2.0	-109.13	353.13	7.11	-102.02
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251212	1	44	-2.0	-109.11	353.19	7.14	-101.97
O=C([O-])C1=CSC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251213	0	38	-2.0	-110.53	323.30	6.20	-104.33
O=C([O-])C1=CSC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251213	1	38	-2.0	-110.55	323.36	6.22	-104.33
O=C([O-])C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020251214	0	41	-2.0	-115.18	336.31	7.10	-108.08
O=C([O-])C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020251214	1	41	-2.0	-115.14	336.36	7.11	-108.03
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251215	0	41	-2.0	-116.29	317.54	5.43	-110.86
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251215	1	41	-2.0	-116.24	317.60	5.43	-110.81
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020251216	0	45	-2.0	-102.30	356.17	7.41	-94.89
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020251216	1	45	-2.0	-102.34	356.22	7.42	-94.92
O=C([O-])C1(CNC(=O)CCC2=N[N-]N=N2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020251217	0	50	-1.0	-91.56	392.31	7.02	-84.54
O=C([O-])C1(CNC(=O)CCC2=NN=N[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020251217	1	50	-1.0	-91.57	392.36	7.03	-84.54
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020251218	0	41	-2.0	-101.34	357.62	7.03	-94.31
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020251218	1	41	-2.0	-101.38	357.68	7.05	-94.33
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CC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300020251224	0	37	-2.0	-96.89	330.02	5.59	-91.30
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O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020251228	1	34	-2.0	-96.34	311.95	4.70	-91.64
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CC1(C)OC2(CNC(=O)CCC3=N[N-]N=N3)CCC1(C(=O)[O-])CC2	REAL300020251236	0	45	-2.0	-87.18	346.18	3.19	-83.99
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CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300020251241	1	40	-2.0	-89.92	355.55	4.80	-85.12
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CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020251247	0	34	-2.0	-97.24	307.57	4.17	-93.07
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020251247	1	34	-2.0	-97.25	307.62	4.19	-93.06
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCC1=N[N-]N=N1)C2	REAL300020251248	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	REAL300020251248	1	41	-2.0	-114.01	320.05	4.51	-109.50
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O=C([O-])CC1CN(C(=O)CCC2=NN=N[N-]2)C2(CCC2)CO1	REAL300020251249	1	39	-2.0	-91.86	314.40	4.03	-87.83
CN1CCN(C(=O)CCC2=N[N-]N=N2)C2=CC(C(=O)[O-])=CC=C21	REAL300020251250	0	37	-2.0	-106.08	309.37	3.89	-102.19
CN1CCN(C(=O)CCC2=NN=N[N-]2)C2=CC(C(=O)[O-])=CC=C21	REAL300020251250	1	37	-2.0	-106.09	309.43	3.91	-102.18
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020251251	0	40	-2.0	-92.40	337.36	6.05	-86.35
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020251251	1	40	-2.0	-92.39	337.41	6.06	-86.33
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C12CCOCC2	REAL300020251252	0	39	-2.0	-89.69	298.89	3.53	-86.16
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O=C([O-])C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020251253	0	34	-2.0	-94.79	314.74	4.47	-90.32
O=C([O-])C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020251253	1	34	-2.0	-94.81	314.80	4.49	-90.32
O=C([O-])C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020251254	0	34	-2.0	-94.66	321.82	5.18	-89.48
O=C([O-])C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020251254	1	34	-2.0	-94.67	321.88	5.20	-89.47
O=C([O-])C(CCCCNC(=O)CCC1=N[N-]N=N1)CC(F)(F)F	REAL300020251255	0	39	-2.0	-93.20	347.66	4.39	-88.81
O=C([O-])C(CCCCNC(=O)CCC1=NN=N[N-]1)CC(F)(F)F	REAL300020251255	1	39	-2.0	-93.23	347.72	4.40	-88.83
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020251256	0	31	-2.0	-97.72	304.77	4.23	-93.49
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020251256	1	31	-2.0	-97.74	304.83	4.24	-93.50
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CC2=CC=CC=C2C1	REAL300020251257	0	35	-2.0	-103.45	301.42	5.03	-98.42
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CC2=CC=CC=C2C1	REAL300020251257	1	35	-2.0	-103.45	301.48	5.04	-98.41
O=C([O-])CN1C=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020251258	0	35	-2.0	-92.19	315.68	5.41	-86.78
O=C([O-])CN1C=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020251258	1	35	-2.0	-92.19	315.74	5.42	-86.77
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C(O)C1=CC=CN=C1	REAL300020251259	0	34	-2.0	-97.53	303.01	-0.59	-98.12
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C(O)C1=CC=CN=C1	REAL300020251259	1	34	-2.0	-97.52	303.07	-0.58	-98.10
O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)CCC3=N[N-]N=N3)C2)=CC=C1	REAL300020251260	0	38	-2.0	-95.00	329.78	5.20	-89.80
O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)CCC3=NN=N[N-]3)C2)=CC=C1	REAL300020251260	1	38	-2.0	-95.02	329.84	5.22	-89.80
CN1N=C2CCN(C(=O)CCC3=N[N-]N=N3)CC2=C1C(=O)[O-]	REAL300020251261	0	35	-2.0	-92.57	300.44	3.11	-89.46
CN1N=C2CCN(C(=O)CCC3=NN=N[N-]3)CC2=C1C(=O)[O-]	REAL300020251261	1	35	-2.0	-92.54	300.50	3.13	-89.41
O=C([O-])C1(C(F)F)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020251262	0	34	-2.0	-83.89	287.58	3.89	-80.00
O=C([O-])C1(C(F)F)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020251262	1	34	-2.0	-83.86	287.64	3.90	-79.96
O=C([O-])C1COC2(C1)CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020251263	0	39	-2.0	-85.90	317.16	3.59	-82.31
O=C([O-])C1COC2(C1)CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020251263	1	39	-2.0	-85.91	317.22	3.60	-82.31
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020251264	0	45	-2.0	-90.50	343.27	5.00	-85.50
O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020251264	1	45	-2.0	-90.51	343.33	5.02	-85.49
O=C([O-])C1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020251265	0	34	-2.0	-92.51	316.21	4.05	-88.46
O=C([O-])C1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020251265	1	34	-2.0	-92.49	316.27	4.07	-88.42
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)C2(C1)CCOCC2	REAL300020251266	0	39	-2.0	-86.01	303.32	3.65	-82.36
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)C2(C1)CCOCC2	REAL300020251266	1	39	-2.0	-86.00	303.38	3.66	-82.34
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)CCC1=N[N-]N=N1)CCC2	REAL300020251267	0	41	-2.0	-104.01	304.81	5.80	-98.21
O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)CCC1=NN=N[N-]1)CCC2	REAL300020251267	1	41	-2.0	-103.99	304.87	5.81	-98.18
O=C([O-])C[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)[C@H]2COC[C@@H]2O1	REAL300020251268	0	37	-2.0	-89.53	306.70	1.81	-87.72
O=C([O-])C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)[C@H]2COC[C@@H]2O1	REAL300020251268	1	37	-2.0	-89.55	306.76	1.82	-87.73
O=C([O-])[C@@]1(CNC(=O)CCC2=N[N-]N=N2)C[C@@H]1C(F)(F)F	REAL300020251269	0	31	-2.0	-86.76	288.46	3.08	-83.68
O=C([O-])[C@@]1(CNC(=O)CCC2=NN=N[N-]2)C[C@@H]1C(F)(F)F	REAL300020251269	1	31	-2.0	-86.74	288.52	3.10	-83.64
O=C([O-])C1=C(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)OC=N1	REAL300020251270	0	37	-2.0	-105.04	317.45	1.68	-103.36
O=C([O-])C1=C(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)OC=N1	REAL300020251270	1	37	-2.0	-105.04	317.40	1.66	-103.38
O=C(CCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300020251271	0	39	-2.0	-88.76	316.60	2.15	-86.61
O=C(CCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(CO1)CCC2	REAL300020251271	1	39	-2.0	-88.78	316.66	2.17	-86.61
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CCC1=N[N-]N=N1	REAL300020251272	0	38	-2.0	-104.12	334.29	5.65	-98.47
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CCC1=NN=N[N-]1	REAL300020251272	1	38	-2.0	-104.11	334.35	5.67	-98.44
COC1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CC(C(=O)[O-])C2=C1	REAL300020251273	0	39	-2.0	-106.28	326.00	5.44	-100.84
COC1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CC(C(=O)[O-])C2=C1	REAL300020251273	1	39	-2.0	-106.29	326.06	5.46	-100.83
O=C([O-])CN1C=CC2=C(NC(=O)CCC3=N[N-]N=N3)C=CC=C21	REAL300020251274	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	REAL300020251274	1	35	-2.0	-89.12	315.42	5.42	-83.70
O=C([O-])CC1CCN(C(=O)CCC2=N[N-]N=N2)CCC1(F)F	REAL300020251275	0	37	-2.0	-96.11	301.41	4.67	-91.44
O=C([O-])CC1CCN(C(=O)CCC2=NN=N[N-]2)CCC1(F)F	REAL300020251275	1	37	-2.0	-96.10	301.47	4.69	-91.41
O=C([O-])CC1=CC=CC2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020251276	0	38	-2.0	-96.05	320.28	6.14	-89.91
O=C([O-])CC1=CC=CC2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020251276	1	38	-2.0	-96.05	320.34	6.16	-89.89
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020251277	0	34	-2.0	-92.24	289.52	4.15	-88.09
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020251277	1	34	-2.0	-92.24	289.58	4.16	-88.08
O=C(CCC1=N[N-]N=N1)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300020251278	0	45	-2.0	-101.70	338.23	5.66	-96.04
O=C(CCC1=NN=N[N-]1)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300020251278	1	45	-2.0	-101.64	338.29	5.68	-95.96
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020251279	0	33	-2.0	-95.07	321.88	3.30	-91.77
O=C([O-])C(CC1=CC=C(Br)N=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020251279	1	33	-2.0	-95.02	321.94	3.32	-91.70
O=C([O-])C1(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020251280	0	35	-2.0	-97.73	306.06	5.02	-92.71
O=C([O-])C1(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020251280	1	35	-2.0	-97.73	306.12	5.04	-92.69
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)CCC1=N[N-]N=N1	REAL300020251281	0	37	-2.0	-97.77	330.19	4.94	-92.83
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)CCC1=NN=N[N-]1	REAL300020251281	1	37	-2.0	-97.77	330.25	4.95	-92.82
O=C([O-])C1C2=CC=C(Br)C=C2CCN1C(=O)CCC1=N[N-]N=N1	REAL300020251282	0	35	-2.0	-95.74	320.84	6.30	-89.44
O=C([O-])C1C2=CC=C(Br)C=C2CCN1C(=O)CCC1=NN=N[N-]1	REAL300020251282	1	35	-2.0	-95.72	320.90	6.31	-89.41
O=C([O-])C1=C2C=CC=C(NC(=O)CCC3=N[N-]N=N3)C2=CC=N1	REAL300020251283	0	33	-2.0	-93.10	295.54	3.62	-89.48
O=C([O-])C1=C2C=CC=C(NC(=O)CCC3=NN=N[N-]3)C2=CC=N1	REAL300020251283	1	33	-2.0	-93.11	295.60	3.63	-89.48
CCSC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020251284	0	35	-2.0	-89.76	319.53	5.13	-84.63
CCSC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020251284	1	35	-2.0	-89.75	319.59	5.14	-84.61
COC1=CC(C(=O)[O-])=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020251285	0	35	-2.0	-89.85	314.45	2.58	-87.27
COC1=CC(C(=O)[O-])=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020251285	1	35	-2.0	-89.80	314.51	2.60	-87.20
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020251286	0	42	-2.0	-107.49	320.37	4.89	-102.60
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020251286	1	42	-2.0	-107.46	320.43	4.90	-102.56
O=C([O-])C1=NNC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020251287	0	38	-2.0	-95.34	324.34	3.41	-91.93
O=C([O-])C1=NNC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020251287	1	38	-2.0	-95.34	324.39	3.43	-91.91
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C12CCS(=O)(=O)CC2	REAL300020251288	0	41	-2.0	-91.93	321.99	1.72	-90.21
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C12CCS(=O)(=O)CC2	REAL300020251288	1	41	-2.0	-91.91	322.05	1.73	-90.18
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C2=CC=NC=C12	REAL300020251289	0	33	-2.0	-90.98	293.75	3.63	-87.35
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C2=CC=NC=C12	REAL300020251289	1	33	-2.0	-90.96	293.69	3.62	-87.34
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C12CCSCC2	REAL300020251290	0	39	-2.0	-86.91	304.55	4.71	-82.20
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C12CCSCC2	REAL300020251290	1	39	-2.0	-86.94	304.61	4.73	-82.21
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020251291	0	35	-2.0	-92.16	307.12	5.57	-86.59
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020251291	1	35	-2.0	-92.13	307.18	5.59	-86.54
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251292	0	34	-2.0	-97.43	293.28	4.41	-93.02
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251292	1	34	-2.0	-97.42	293.34	4.42	-93.00
O=C([O-])C1=CSC(CC2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=N1	REAL300020251293	0	40	-2.0	-110.54	349.99	4.85	-105.69
O=C([O-])C1=CSC(CC2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300020251293	1	40	-2.0	-110.52	350.05	4.86	-105.66
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300020251294	0	38	-2.0	-87.13	332.06	6.05	-81.08
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=C(F)C=C1	REAL300020251294	1	38	-2.0	-87.12	332.12	6.07	-81.05
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251295	0	38	-2.0	-100.71	324.53	6.01	-94.70
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251295	1	38	-2.0	-100.70	324.59	6.03	-94.67
O=C(CCC1=N[N-]N=N1)N1CC2(CC[NH2+]CC2)[C@H]2COC[C@H]21	REAL300020251296	0	44	0.0	-75.42	323.98	1.74	-73.68
O=C(CCC1=NN=N[N-]1)N1CC2(CC[NH2+]CC2)[C@H]2COC[C@H]21	REAL300020251296	1	44	0.0	-75.43	324.04	1.75	-73.68
[NH3+][C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=CC=C1F	REAL300020251297	0	39	0.0	-70.94	321.62	2.73	-68.21
[NH3+][C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=CC=C1F	REAL300020251297	1	39	0.0	-70.98	321.68	2.75	-68.23
[NH3+]C1(CNC(=O)CCC2=NN=N[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020251298	0	51	1.0	-129.31	383.55	3.64	-125.67
[NH3+]C1(CNC(=O)CCC2=N[N-]N=N2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020251298	1	51	1.0	-129.24	383.49	3.63	-125.61
[NH3+]CC1=CN(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)N=N1	REAL300020251299	0	41	0.0	-75.55	329.98	0.24	-75.31
[NH3+]CC1=CN(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)N=N1	REAL300020251299	1	41	0.0	-75.67	330.03	0.25	-75.42
[NH3+]C1CCCOC1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020251300	0	46	0.0	-81.44	341.89	1.77	-79.67
[NH3+]C1CCCOC1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020251300	1	46	0.0	-81.45	341.95	1.79	-79.66
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1OCCN1CC[NH2+]CC1	REAL300020251301	0	48	0.0	-63.58	377.63	1.53	-62.05
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1OCCN1CC[NH2+]CC1	REAL300020251301	1	48	0.0	-63.60	377.68	1.56	-62.04
[NH3+][C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=CC(F)=C1	REAL300020251302	0	39	0.0	-71.66	323.43	2.86	-68.80
[NH3+][C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=CC(F)=C1	REAL300020251302	1	39	0.0	-71.67	323.49	2.87	-68.80
[NH3+]C1CCOC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C1	REAL300020251303	0	46	0.0	-77.59	344.66	1.75	-75.84
[NH3+]C1CCOC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C1	REAL300020251303	1	46	0.0	-77.64	344.71	1.76	-75.88
O=C(CCC1=N[N-]N=N1)N1CCC2C(C1)NC(=O)N2C1CC[NH2+]CC1	REAL300020251304	0	49	0.0	-70.74	368.98	0.84	-69.90
O=C(CCC1=NN=N[N-]1)N1CCC2C(C1)NC(=O)N2C1CC[NH2+]CC1	REAL300020251304	1	49	0.0	-70.74	369.04	0.86	-69.88
O=C(CCC1=NN=N[N-]1)NC1=NC=C(C2CC[NH2+]CC2)S1	REAL300020251305	0	38	0.0	-77.31	321.32	2.86	-74.45
O=C(CCC1=N[N-]N=N1)NC1=NC=C(C2CC[NH2+]CC2)S1	REAL300020251305	1	38	0.0	-77.31	321.26	2.85	-74.46
O=C(CCC1=N[N-]N=N1)NC1=NC(C2CC[NH2+]CC2)=CS1	REAL300020251306	0	38	0.0	-69.87	316.89	2.08	-67.79
O=C(CCC1=NN=N[N-]1)NC1=NC(C2CC[NH2+]CC2)=CS1	REAL300020251306	1	38	0.0	-69.88	316.94	2.10	-67.78
O=C(CCC1=N[N-]N=N1)NCC1=CC(C2CC[NH2+]CC2)=NO1	REAL300020251308	0	41	0.0	-72.33	334.67	1.63	-70.70
O=C(CCC1=NN=N[N-]1)NCC1=CC(C2CC[NH2+]CC2)=NO1	REAL300020251308	1	41	0.0	-72.35	334.73	1.64	-70.71
[NH3+]C1CCOC(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020251309	0	46	0.0	-70.04	346.15	1.67	-68.37
[NH3+]C1CCOC(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020251309	1	46	0.0	-70.09	346.21	1.68	-68.41
[NH3+]C1CCOC(C2CCCCN2C(=O)CCC2=N[N-]N=N2)C1	REAL300020251310	0	46	0.0	-63.98	330.48	3.01	-60.97
[NH3+]C1CCOC(C2CCCCN2C(=O)CCC2=NN=N[N-]2)C1	REAL300020251310	1	46	0.0	-63.99	330.54	3.02	-60.97
O=C(CCC1=N[N-]N=N1)NCCC1CCC2=CC=CC=C2N1	REAL300020251311	0	41	-1.0	-41.25	334.36	3.50	-37.75
O=C(CCC1=NN=N[N-]1)NCCC1CCC2=CC=CC=C2N1	REAL300020251311	1	41	-1.0	-41.26	334.42	3.52	-37.74
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=CC=C1	REAL300020251312	0	42	0.0	-70.47	325.41	4.67	-65.80
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=CC=C1	REAL300020251312	1	42	0.0	-70.45	325.47	4.69	-65.76
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020251313	0	42	0.0	-76.94	338.19	4.73	-72.21
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020251313	1	42	0.0	-76.95	338.25	4.75	-72.20
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=CC(F)=C1	REAL300020251314	0	42	0.0	-71.97	331.94	4.66	-67.31
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=CC(F)=C1	REAL300020251314	1	42	0.0	-71.98	332.00	4.68	-67.30
CCOC1=CC=C([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020251315	0	49	0.0	-73.98	376.76	4.91	-69.07
CCOC1=CC=C([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020251315	1	49	0.0	-74.00	376.82	4.92	-69.08
COC1=CC=C([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020251316	0	46	0.0	-72.75	354.88	3.99	-68.76
COC1=CC=C([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020251316	1	46	0.0	-72.76	354.94	4.01	-68.75
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=C(F)C=C1	REAL300020251317	0	42	0.0	-74.93	331.80	4.74	-70.19
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[NH2+]CC[C@@H]1C1=CC=C(F)C=C1	REAL300020251317	1	42	0.0	-74.96	331.85	4.76	-70.20
COC1=CC=C([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2=N[N-]N=N2)C=C1F	REAL300020251318	0	46	0.0	-75.11	361.25	3.98	-71.13
COC1=CC=C([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2=NN=N[N-]2)C=C1F	REAL300020251318	1	46	0.0	-75.12	361.31	3.99	-71.13
O=C(CCC1=N[N-]N=N1)NCC1=CN(C2CC[NH2+]CC2)N=N1	REAL300020251319	0	41	0.0	-82.34	334.32	0.02	-82.32
O=C(CCC1=NN=N[N-]1)NCC1=CN(C2CC[NH2+]CC2)N=N1	REAL300020251319	1	41	0.0	-82.37	334.37	0.04	-82.33
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	REAL300020251320	0	45	0.0	-76.72	338.85	1.67	-75.05
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1	REAL300020251320	1	45	0.0	-76.73	338.91	1.69	-75.04
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)N2CCNCC2)CC1	REAL300020251320	1	44	-1.0	-43.30	335.82	0.32	-42.98
O=C(CCC1=N[N-]N=N1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	REAL300020251321	0	45	0.0	-94.24	348.26	2.36	-91.88
O=C(CCC1=NN=N[N-]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1	REAL300020251321	1	45	0.0	-94.24	348.32	2.38	-91.86
CCN(C(=O)CCC1=N[N-]N=N1)C(C)CC(=O)N1CC[NH2+]CC1	REAL300020251322	0	48	0.0	-82.78	359.44	3.80	-78.98
CCN(C(=O)CCC1=NN=N[N-]1)C(C)CC(=O)N1CC[NH2+]CC1	REAL300020251322	1	48	0.0	-82.75	359.50	3.82	-78.93
CCN(C(=O)CCC1=N[N-]N=N1)C(C)CC(=O)N1CCNCC1	REAL300020251322	1	47	-1.0	-52.08	356.41	2.48	-49.60
[NH3+]CC1CN(C(=O)CCC2=N[N-]N=N2)CCC1C(F)(F)F	REAL300020251323	0	38	0.0	-69.34	304.33	1.51	-67.83
[NH3+]CC1CN(C(=O)CCC2=NN=N[N-]2)CCC1C(F)(F)F	REAL300020251323	1	38	0.0	-69.34	304.38	1.52	-67.82
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2C[NH2+]CCO2)C=C1	REAL300020251324	0	40	0.0	-70.82	325.51	1.97	-68.85
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2C[NH2+]CCO2)C=C1	REAL300020251324	1	40	0.0	-70.82	325.56	1.99	-68.83
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=CC(N3CC[NH2+]CC3)=NN2)C1	REAL300020251325	0	51	0.0	-71.35	391.34	2.62	-68.73
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=CC(N3CC[NH2+]CC3)=NN2)C1	REAL300020251325	1	51	0.0	-71.31	391.39	2.63	-68.68
C[NH2+]CCCC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020251326	0	48	0.0	-71.12	378.27	2.00	-69.12
C[NH2+]CCCC(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020251326	1	48	0.0	-71.12	378.33	2.01	-69.11
[NH3+]CC1=CN(C2=CC=CC(CNC(=O)CCC3=N[N-]N=N3)=C2)N=N1	REAL300020251327	0	41	0.0	-81.92	351.37	0.56	-81.36
[NH3+]CC1=CN(C2=CC=CC(CNC(=O)CCC3=NN=N[N-]3)=C2)N=N1	REAL300020251327	1	41	0.0	-81.90	351.43	0.57	-81.33
O=C(CCC1=N[N-]N=N1)N1CCC(COC2CC[NH2+]C2)CC1	REAL300020251328	0	46	0.0	-66.72	354.20	3.04	-63.68
O=C(CCC1=NN=N[N-]1)N1CCC(COC2CC[NH2+]C2)CC1	REAL300020251328	1	46	0.0	-66.73	354.25	3.06	-63.67
O=C(CCC1=NN=N[N-]1)NC1=CC(N2CC[NH2+]CC2)=CC=[NH+]1	REAL300020251329	0	41	1.0	-103.08	320.77	0.99	-102.09
O=C(CCC1=N[N-]N=N1)NC1=CC(N2CC[NH2+]CC2)=CC=N1	REAL300020251329	1	40	0.0	-78.79	319.52	1.13	-77.66
O=C(CCC1=NN=N[N-]1)NC1=CC(N2CC[NH2+]CC2)=CC=N1	REAL300020251329	1	40	0.0	-78.78	319.57	1.14	-77.64
COC1=CC=C([C@@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]2[NH3+])C=C1	REAL300020251330	0	43	0.0	-76.64	346.05	2.01	-74.63
COC1=CC=C([C@@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]2[NH3+])C=C1	REAL300020251330	1	43	0.0	-76.65	346.11	2.03	-74.62
O=C(CCC1=N[N-]N=N1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	REAL300020251331	0	42	0.0	-87.23	334.23	1.55	-85.68
O=C(CCC1=NN=N[N-]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	REAL300020251331	1	42	0.0	-87.22	334.29	1.56	-85.66
COC1=CC=C(C2C[NH2+]CCN2C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020251332	0	43	0.0	-74.10	334.30	3.02	-71.08
COC1=CC=C(C2C[NH2+]CCN2C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020251332	1	43	0.0	-74.11	334.35	3.04	-71.07
COC1=CC=C(C2CNCCN2C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020251332	1	42	-1.0	-40.55	330.74	1.71	-38.84
COC1=CC=C(C2CNCCN2C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020251332	1	42	-1.0	-40.55	330.80	1.73	-38.82
COC1=CC=CC(C2C[NH2+]CCN2C(=O)CCC2=N[N-]N=N2)=C1	REAL300020251333	0	43	0.0	-73.47	333.84	3.04	-70.43
COC1=CC=CC(C2C[NH2+]CCN2C(=O)CCC2=NN=N[N-]2)=C1	REAL300020251333	1	43	0.0	-73.50	333.90	3.05	-70.45
COC1=CC=CC(C2CNCCN2C(=O)CCC2=N[N-]N=N2)=C1	REAL300020251333	1	42	-1.0	-42.01	331.22	1.69	-40.32
COC1=CC=CC(C2CNCCN2C(=O)CCC2=NN=N[N-]2)=C1	REAL300020251333	1	42	-1.0	-41.98	331.28	1.70	-40.28
O=C(CCC1=NN=N[N-]1)NC1=CN=C(N2CC[NH2+]CC2)N=C1	REAL300020251334	0	39	0.0	-69.85	317.51	1.01	-68.84
O=C(CCC1=N[N-]N=N1)NC1=CN=C(N2CC[NH2+]CC2)N=C1	REAL300020251334	1	39	0.0	-69.86	317.45	1.00	-68.86
O=C(CCC1=N[N-]N=N1)N1CCC2=C(N=CN2)C12CC[NH2+]CC2	REAL300020251335	0	43	0.0	-53.51	318.26	2.66	-50.85
O=C(CCC1=NN=N[N-]1)N1CCC2=C(N=CN2)C12CC[NH2+]CC2	REAL300020251335	1	43	0.0	-53.52	318.32	2.67	-50.85
O=C(CCC1=N[N-]N=N1)N1CCC2=C(NC=N2)C12CC[NH2+]CC2	REAL300020251335	1	43	0.0	-62.20	318.28	2.66	-59.54
O=C(CCC1=NN=N[N-]1)N1CCC2=C(NC=N2)C12CC[NH2+]CC2	REAL300020251335	1	43	0.0	-62.17	318.33	2.67	-59.50
[NH3+]C(CC1CCCN(C(=O)CCC2=N[N-]N=N2)C1)C1CCCC1	REAL300020251336	0	51	0.0	-72.03	368.17	4.66	-67.37
[NH3+]C(CC1CCCN(C(=O)CCC2=NN=N[N-]2)C1)C1CCCC1	REAL300020251336	1	51	0.0	-72.07	368.22	4.67	-67.40
O=C(CCC1=N[N-]N=N1)NCCC1CNCCS1(=O)=O	REAL300020251337	0	37	-1.0	-50.98	312.56	-3.70	-54.68
O=C(CCC1=NN=N[N-]1)NCCC1CNCCS1(=O)=O	REAL300020251337	1	37	-1.0	-50.95	312.62	-3.69	-54.64
O=C(CCC1=N[N-]N=N1)NC1CC2(CC[NH2+]CC2)OC2=CC=CC=C21	REAL300020251338	0	47	0.0	-72.61	357.61	3.22	-69.39
O=C(CCC1=NN=N[N-]1)NC1CC2(CC[NH2+]CC2)OC2=CC=CC=C21	REAL300020251338	1	47	0.0	-72.64	357.67	3.24	-69.40
O=C(CCC1=N[N-]N=N1)NC1=CC=C2NC(C3CC[NH2+]CC3)=NC2=C1	REAL300020251339	0	45	0.0	-84.08	359.67	2.79	-81.29
O=C(CCC1=NN=N[N-]1)NC1=CC=C2NC(C3CC[NH2+]CC3)=NC2=C1	REAL300020251339	1	45	0.0	-84.10	359.73	2.81	-81.29
O=C(CCC1=N[N-]N=N1)N1CCC2(CC1)C[NH2+]CC1=CC=CC=C1O2	REAL300020251340	0	47	0.0	-73.61	346.40	4.19	-69.42
O=C(CCC1=NN=N[N-]1)N1CCC2(CC1)C[NH2+]CC1=CC=CC=C1O2	REAL300020251340	1	47	0.0	-73.61	346.46	4.21	-69.40
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(CN2CC[NH2+]CC2)C=C1	REAL300020251341	0	47	0.0	-68.88	373.01	1.66	-67.22
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(CN2CC[NH2+]CC2)C=C1	REAL300020251341	1	47	0.0	-68.84	373.06	1.67	-67.17
[NH3+]CCN(CC1=CC=CC(Cl)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020251342	0	38	0.0	-69.70	330.92	3.60	-66.10
[NH3+]CCN(CC1=CC=CC(Cl)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020251342	1	38	0.0	-69.69	330.97	3.62	-66.07
COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020251343	0	42	0.0	-67.66	333.59	1.95	-65.71
COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020251343	1	42	0.0	-67.64	333.65	1.96	-65.68
O=C(CCC1=N[N-]N=N1)N1CCC([NH+]2C3CCC2CNC3)CC1	REAL300020251344	0	48	0.0	-58.25	344.62	3.15	-55.10
O=C(CCC1=NN=N[N-]1)N1CCC([NH+]2C3CCC2CNC3)CC1	REAL300020251344	1	48	0.0	-58.25	344.68	3.16	-55.09
O=C(CCC1=N[N-]N=N1)N1CC2CCC(C1)[NH+]2C1CC[NH2+]CC1	REAL300020251345	0	49	1.0	-124.65	348.87	4.50	-120.15
O=C(CCC1=NN=N[N-]1)N1CC2CCC(C1)[NH+]2C1CC[NH2+]CC1	REAL300020251345	1	49	1.0	-124.67	348.93	4.52	-120.15
O=C(CCC1=N[N-]N=N1)NCC1CC2(CC[NH2+]CC2)C(=O)O1	REAL300020251346	0	42	0.0	-81.91	332.55	1.44	-80.47
O=C(CCC1=NN=N[N-]1)NCC1CC2(CC[NH2+]CC2)C(=O)O1	REAL300020251346	1	42	0.0	-81.95	332.61	1.45	-80.50
O=C(CCC1=N[N-]N=N1)N1CCC2=C(N=CN2)C12CC[NH2+]C2	REAL300020251347	0	40	0.0	-54.74	304.70	2.12	-52.62
O=C(CCC1=NN=N[N-]1)N1CCC2=C(N=CN2)C12CC[NH2+]C2	REAL300020251347	1	40	0.0	-54.77	304.76	2.13	-52.64
O=C(CCC1=N[N-]N=N1)N1CCC2=C(NC=N2)C12CC[NH2+]C2	REAL300020251347	1	40	0.0	-56.99	304.45	2.50	-54.49
O=C(CCC1=NN=N[N-]1)N1CCC2=C(NC=N2)C12CC[NH2+]C2	REAL300020251347	1	40	0.0	-57.01	304.50	2.51	-54.50
NC1=CC=CC(C2=CN3CCCN(C(=O)CCC4=NN=N[N-]4)C3=N2)=C1	REAL300020251348	0	42	-1.0	-54.15	347.33	7.08	-47.07
NC1=CC=CC(C2=CN3CCCN(C(=O)CCC4=N[N-]N=N4)C3=N2)=C1	REAL300020251348	1	42	-1.0	-54.15	347.27	7.07	-47.08
[NH3+]CC1CC2=CC(F)=CC=C2N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251349	0	39	0.0	-78.99	312.13	3.21	-75.78
[NH3+]CC1CC2=CC(F)=CC=C2N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251349	1	39	0.0	-79.00	312.19	3.23	-75.77
[NH3+]C[C@]1(C2=CC=CC=C2)C[C@@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020251350	0	42	0.0	-71.13	336.23	2.37	-68.76
[NH3+]C[C@]1(C2=CC=CC=C2)C[C@@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020251350	1	42	0.0	-71.11	336.29	2.39	-68.72
O=C(CCC1=N[N-]N=N1)N1CC(CC2COCC[NH2+]2)C2=CC=CC=C21	REAL300020251351	0	47	0.0	-77.50	357.69	4.28	-73.22
O=C(CCC1=NN=N[N-]1)N1CC(CC2COCC[NH2+]2)C2=CC=CC=C21	REAL300020251351	1	47	0.0	-77.54	357.75	4.30	-73.24
[NH3+]CCC1CC2=CC=CC=C2N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251352	0	42	0.0	-76.22	326.95	3.78	-72.44
[NH3+]CCC1CC2=CC=CC=C2N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251352	1	42	0.0	-76.21	327.01	3.79	-72.42
O=C(CCC1=N[N-]N=N1)N1CCOCC1CC1CNC2=CC=CC=C21	REAL300020251353	0	46	-1.0	-41.54	356.27	3.66	-37.88
O=C(CCC1=NN=N[N-]1)N1CCOCC1CC1CNC2=CC=CC=C21	REAL300020251353	1	46	-1.0	-41.55	356.33	3.67	-37.88
[NH3+]C1CC2(CCN(C(=O)CCC3=N[N-]N=N3)CC2)OC2=CC=CC=C21	REAL300020251354	0	47	0.0	-79.72	356.77	3.49	-76.23
[NH3+]C1CC2(CCN(C(=O)CCC3=NN=N[N-]3)CC2)OC2=CC=CC=C21	REAL300020251354	1	47	0.0	-79.72	356.83	3.51	-76.21
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=N1)C1CC[NH2+]CC1	REAL300020251355	0	44	0.0	-72.02	342.93	4.23	-67.79
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=N1)C1CC[NH2+]CC1	REAL300020251355	1	44	0.0	-72.02	342.98	4.25	-67.77
[NH3+]CC1(C2=CC=CC=C2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020251356	0	45	0.0	-74.72	336.29	3.72	-71.00
[NH3+]CC1(C2=CC=CC=C2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020251356	1	45	0.0	-74.72	336.35	3.73	-70.99
CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020251357	0	54	0.0	-73.38	404.19	7.61	-65.77
CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020251357	1	54	0.0	-73.37	404.25	7.63	-65.74
O=C(CCC1=N[N-]N=N1)N1CCC(C2CCC[NH2+]CC2)CC1	REAL300020251358	0	48	0.0	-70.17	342.29	4.44	-65.73
O=C(CCC1=NN=N[N-]1)N1CCC(C2CCC[NH2+]CC2)CC1	REAL300020251358	1	48	0.0	-70.16	342.35	4.45	-65.71
O=C(CCC1=N[N-]N=N1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	REAL300020251359	0	35	-1.0	-48.27	283.89	-3.58	-51.85
O=C(CCC1=NN=N[N-]1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	REAL300020251359	1	35	-1.0	-48.30	283.95	-3.56	-51.86
O=C(CCC1=N[N-]N=N1)NC1CC2(CC[NH2+]C2)OC2=CC=CC=C21	REAL300020251360	0	44	0.0	-73.39	342.94	2.45	-70.94
O=C(CCC1=NN=N[N-]1)NC1CC2(CC[NH2+]C2)OC2=CC=CC=C21	REAL300020251360	1	44	0.0	-73.37	343.00	2.47	-70.90
O=C(CCC1=N[N-]N=N1)N1CCCC(C23CCC2CC[NH2+]3)C1	REAL300020251361	0	46	0.0	-66.19	337.69	4.64	-61.55
O=C(CCC1=NN=N[N-]1)N1CCCC(C23CCC2CC[NH2+]3)C1	REAL300020251361	1	46	0.0	-66.21	337.75	4.65	-61.56
[NH3+]CCC1=CC=C2C(=C1)CCCN2C(=O)CCC1=N[N-]N=N1	REAL300020251362	0	42	0.0	-76.18	330.41	3.98	-72.20
[NH3+]CCC1=CC=C2C(=C1)CCCN2C(=O)CCC1=NN=N[N-]1	REAL300020251362	1	42	0.0	-76.19	330.47	4.00	-72.19
[NH3+]C1(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)CCOCC1	REAL300020251363	0	43	0.0	-74.45	332.85	1.38	-73.07
[NH3+]C1(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)CCOCC1	REAL300020251363	1	43	0.0	-74.44	332.91	1.39	-73.05
COC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)CC12CC[NH2+]CC2	REAL300020251364	0	45	0.0	-70.71	345.01	2.93	-67.78
COC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)CC12CC[NH2+]CC2	REAL300020251364	1	45	0.0	-70.73	345.06	2.95	-67.78
[NH3+]CCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020251365	0	38	0.0	-82.32	325.11	0.79	-81.53
[NH3+]CCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020251365	1	38	0.0	-82.31	325.07	0.79	-81.52
[NH3+]CCCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020251366	0	41	0.0	-82.39	346.61	1.58	-80.81
[NH3+]CCCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020251366	1	41	0.0	-82.43	346.57	1.58	-80.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC2(C1)CC[NH2+]CC2	REAL300020251367	0	41	0.0	-68.40	329.62	2.86	-65.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC2(C1)CC[NH2+]CC2	REAL300020251367	1	41	0.0	-68.38	329.66	2.87	-65.51
NC1=CC=C(CC2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)C=C1	REAL300020251368	0	41	-1.0	-49.81	366.18	4.82	-44.99
NC1=CC=C(CC2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)C=C1	REAL300020251368	1	41	-1.0	-49.82	366.22	4.82	-45.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL300020251369	0	43	0.0	-75.66	346.63	4.06	-71.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL300020251369	1	43	0.0	-75.63	346.58	4.05	-71.58
[NH3+]C1CCCCN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020251370	0	43	0.0	-65.79	340.42	2.57	-63.22
CC([NH3+])C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251371	0	39	0.0	-71.28	320.00	4.25	-67.03
CC([NH3+])C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251371	1	39	0.0	-71.25	320.04	4.25	-67.00
[NH3+]C(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1CCCCC1	REAL300020251372	0	51	0.0	-62.02	383.40	5.80	-56.22
[NH3+]C(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1CCCCC1	REAL300020251372	1	51	0.0	-62.00	383.45	5.80	-56.20
COC1=CC=CC(NCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020251373	0	39	-1.0	-39.01	327.49	3.73	-35.28
COC1=CC=CC(NCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251373	1	39	-1.0	-38.97	327.54	3.72	-35.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2CC[NH2+]CC2)O1	REAL300020251374	0	42	0.0	-70.45	343.35	2.01	-68.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CC[NH2+]CC2)O1	REAL300020251374	1	42	0.0	-70.42	343.40	2.01	-68.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH2+]CC2=CC=CC=C21	REAL300020251375	0	40	0.0	-63.84	319.43	5.58	-58.26
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]CC2=CC=CC=C21	REAL300020251375	1	40	0.0	-63.89	319.39	5.59	-58.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CC[NH2+]C2)S1	REAL300020251376	0	37	0.0	-71.58	315.47	4.75	-66.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CC[NH2+]C2)S1	REAL300020251376	1	37	0.0	-71.57	315.50	4.75	-66.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C[NH2+]C2)S1	REAL300020251377	0	34	0.0	-71.74	296.93	3.87	-67.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CNC2)S1	REAL300020251377	1	33	-1.0	-40.59	294.40	2.42	-38.17
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CNC2)S1	REAL300020251377	1	33	-1.0	-41.14	293.43	2.38	-38.76
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020251378	0	46	0.0	-76.11	357.91	5.79	-70.32
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020251378	1	46	0.0	-76.04	357.96	5.79	-70.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCC[NH2+]CC2)N=N1	REAL300020251379	0	45	0.0	-82.68	352.90	3.16	-79.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCC[NH2+]CC2)N=N1	REAL300020251379	1	45	0.0	-82.61	352.86	3.16	-79.45
CC(C)C[C@H](C[NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251380	0	44	0.0	-60.60	335.62	3.83	-56.77
CC(C)C[C@H](C[NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251380	1	44	0.0	-60.62	335.67	3.83	-56.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C2CC[NH2+]C2)NN=C1	REAL300020251381	0	40	0.0	-71.76	324.77	2.62	-69.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C2CC[NH2+]C2)NN=C1	REAL300020251381	1	40	0.0	-71.72	324.82	2.63	-69.09
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251382	0	46	0.0	-51.19	375.98	4.50	-46.69
C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251382	1	45	-1.0	-41.12	371.87	4.13	-36.99
C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251382	1	45	-1.0	-41.08	371.91	4.13	-36.95
COC1=CC=CC(CC([NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251383	0	43	0.0	-56.18	352.47	3.60	-52.58
COC1=CC=CC(CC(N)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251383	1	42	-1.0	-38.90	351.76	3.30	-35.60
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1CCNCC1=O	REAL300020251384	0	39	-1.0	-45.49	313.39	2.03	-43.46
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1CCNCC1=O	REAL300020251384	1	39	-1.0	-45.50	313.43	2.03	-43.47
NC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020251385	0	35	-1.0	-40.32	312.09	4.50	-35.82
NC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020251385	1	35	-1.0	-40.33	312.14	4.50	-35.83
O=C(CC1[NH2+]CC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251386	0	40	0.0	-53.19	326.18	5.56	-47.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)C2=C(CNC2)S1	REAL300020251387	0	33	-1.0	-40.06	311.94	3.04	-37.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C2=C(CNC2)S1	REAL300020251387	1	33	-1.0	-39.66	310.97	3.01	-36.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C2=C(C[NH2+]C2)S1	REAL300020251387	1	34	0.0	-70.14	315.47	4.54	-65.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1CC[NH2+]C2	REAL300020251388	0	40	0.0	-71.10	315.86	5.53	-65.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1CC[NH2+]C2	REAL300020251388	1	40	0.0	-71.18	315.90	5.53	-65.65
O=C(CCC1CCC[NH2+]C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251389	0	42	0.0	-63.47	325.70	4.70	-58.77
O=C(CCC1CCC[NH2+]C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251389	1	42	0.0	-63.49	325.75	4.70	-58.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL300020251390	0	42	0.0	-72.90	341.30	4.24	-68.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL300020251390	1	42	0.0	-72.93	341.35	4.24	-68.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC2(C1)CCC[NH2+]C2	REAL300020251391	0	41	0.0	-59.09	330.45	2.88	-56.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC2(C1)CCC[NH2+]C2	REAL300020251391	1	41	0.0	-64.60	329.49	2.87	-61.73
O=C(CC1=CC=CC2=C1CC[NH2+]C2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251392	0	43	0.0	-68.32	341.98	6.08	-62.24
O=C(CC1=CC=CC2=C1CC[NH2+]C2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251392	1	43	0.0	-68.26	342.02	6.07	-62.19
[NH3+]C1CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020251393	0	40	0.0	-80.71	325.70	4.66	-76.05
[NH3+]C1CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C1	REAL300020251393	1	40	0.0	-80.64	325.74	4.66	-75.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1	REAL300020251394	0	45	0.0	-73.26	372.65	3.59	-69.67
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1	REAL300020251394	1	45	0.0	-73.67	371.68	3.57	-70.10
O=C(CC1(O)CCC[NH2+]C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251395	0	40	0.0	-58.74	307.56	2.01	-56.73
O=C(CC1(O)CCC[NH2+]C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251395	1	40	0.0	-58.75	307.61	2.01	-56.74
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251396	0	47	0.0	-54.11	373.26	5.31	-48.80
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251396	1	47	0.0	-49.55	374.04	5.22	-44.33
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251396	1	47	0.0	-54.06	373.30	5.32	-48.74
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251396	1	47	0.0	-42.32	375.10	5.26	-37.06
[NH3+]C1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCN(CC2=CC=CC=C2)CC1	REAL300020251397	0	54	0.0	-56.69	404.79	4.93	-51.76
[NH3+]C1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCN(CC2=CC=CC=C2)CC1	REAL300020251397	1	54	0.0	-56.80	404.84	4.94	-51.86
NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020251398	0	32	-1.0	-41.15	289.10	3.87	-37.28
NC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251398	1	32	-1.0	-41.16	289.14	3.88	-37.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL300020251399	0	42	0.0	-72.55	351.42	4.01	-68.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL300020251399	1	42	0.0	-72.57	351.46	4.01	-68.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC(C2CC[NH2+]CC2)=N1	REAL300020251400	0	43	0.0	-77.73	345.58	3.53	-74.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC(C2CC[NH2+]CC2)=N1	REAL300020251400	1	43	0.0	-77.78	345.62	3.53	-74.25
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251401	0	42	0.0	-62.81	314.29	3.85	-58.96
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251401	1	42	0.0	-62.86	314.33	3.85	-59.01
[NH3+]C(CC1OCCO1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251402	0	38	0.0	-54.15	310.76	0.18	-53.97
CC(C)C([NH3+])C(=O)NCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251403	0	45	0.0	-66.37	359.60	1.55	-64.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300020251404	0	44	0.0	-68.95	350.07	3.72	-65.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300020251404	1	44	0.0	-67.31	351.03	3.75	-63.56
C=CCOC(=O)[C@@H](N)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251405	0	38	-1.0	-38.50	328.27	2.64	-35.86
C=CCOC(=O)[C@@H](N)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251405	1	38	-1.0	-38.45	328.31	2.64	-35.81
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2CC[NH2+]CC2)=N1	REAL300020251406	0	45	0.0	-66.01	368.34	4.79	-61.22
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2CC[NH2+]CC2)=N1	REAL300020251406	1	45	0.0	-66.65	367.37	4.75	-61.90
NC1=NC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020251407	0	34	-1.0	-40.61	307.61	3.15	-37.46
NC1=NC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020251407	1	34	-1.0	-40.59	307.57	3.14	-37.45
[NH3+]C1CCOC2(CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)C1	REAL300020251408	0	44	0.0	-70.66	343.27	2.45	-68.21
[NH3+]C1CCOC2(CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)C1	REAL300020251408	1	44	0.0	-70.61	343.32	2.45	-68.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(CC2CC[NH2+]CC2)S1	REAL300020251409	0	45	0.0	-65.62	371.13	5.04	-60.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(CC2CC[NH2+]CC2)S1	REAL300020251409	1	45	0.0	-65.57	371.17	5.05	-60.52
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251410	0	42	0.0	-59.21	351.27	4.81	-54.40
NC(CC1=CC2=CC=CC=C2O1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251410	1	41	-1.0	-43.52	347.21	4.44	-39.08
NC(CC1=CC2=CC=CC=C2O1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251410	1	41	-1.0	-42.65	348.27	4.49	-38.16
N#CC1C[NH2+]CC12CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020251411	0	41	0.0	-67.30	326.42	4.22	-63.08
N#CC1C[NH2+]CC12CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020251411	1	41	0.0	-67.29	326.46	4.23	-63.06
CS(=O)(=O)CC[C@H](N)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251412	0	37	-1.0	-47.09	326.07	-1.46	-48.55
CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251412	1	38	0.0	-70.88	327.24	-1.18	-72.06
CS(=O)(=O)CC[C@H](N)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251412	1	37	-1.0	-47.08	326.12	-1.45	-48.53
[NH3+]CCCN1C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020251413	0	39	0.0	-69.38	328.39	2.22	-67.16
[NH3+]CCCN1C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020251413	1	39	0.0	-72.76	329.36	2.25	-70.51
[NH3+]CCC1=CN2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2N=C1	REAL300020251414	0	41	0.0	-93.03	347.19	3.17	-89.86
[NH3+]CCC1=CN2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2N=C1	REAL300020251414	1	41	0.0	-93.40	348.15	3.19	-90.21
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251415	0	43	0.0	-74.31	347.53	1.09	-73.22
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251415	1	43	0.0	-74.35	347.57	1.10	-73.25
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020251416	0	42	0.0	-53.02	339.49	5.16	-47.86
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020251416	1	42	0.0	-53.08	339.53	5.16	-47.92
CC(N)C1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020251417	0	34	-1.0	-47.04	305.24	0.88	-46.16
CC(N)C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020251417	1	34	-1.0	-47.02	305.28	0.88	-46.14
CC([NH3+])C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020251417	1	35	0.0	-70.28	309.80	1.24	-69.04
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CNCCS1(=O)=O	REAL300020251418	0	35	-1.0	-49.73	301.70	-1.15	-50.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CNCCS1(=O)=O	REAL300020251418	1	35	-1.0	-49.68	301.75	-1.15	-50.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCC[NH2+]C2	REAL300020251419	0	41	0.0	-73.90	328.56	5.49	-68.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCCNC2	REAL300020251419	1	40	-1.0	-45.41	326.06	4.21	-41.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC2=C1CCN2	REAL300020251420	0	35	-1.0	-40.92	293.86	3.82	-37.10
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC2=C1CCN2	REAL300020251420	1	35	-1.0	-40.96	293.82	3.81	-37.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1CCN2	REAL300020251421	0	36	-1.0	-42.21	299.42	4.64	-37.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1CCN2	REAL300020251421	1	36	-1.0	-42.22	299.46	4.64	-37.58
[NH3+]C1CCCN2N=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020251422	0	40	0.0	-81.12	325.79	2.11	-79.01
[NH3+]C1CCCN2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020251422	1	40	0.0	-81.11	325.84	2.10	-79.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2C[NH2+]C2)C1	REAL300020251423	0	41	0.0	-61.99	328.35	2.27	-59.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2C[NH2+]C2)C1	REAL300020251423	1	41	0.0	-62.04	328.39	2.27	-59.77
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251424	0	46	0.0	-52.12	367.83	4.72	-47.40
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251424	1	46	0.0	-52.13	367.88	4.74	-47.39
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251425	0	46	0.0	-51.98	367.97	4.72	-47.26
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251425	1	46	0.0	-52.01	368.02	4.72	-47.29
[NH3+]CCCSCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251426	0	39	0.0	-70.14	333.27	3.48	-66.66
[NH3+]CCCSCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251426	1	39	0.0	-70.11	333.32	3.48	-66.63
CSCC[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251427	0	39	0.0	-55.67	324.87	3.38	-52.29
CSCC[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251427	1	39	0.0	-55.70	324.91	3.39	-52.31
O=C(CCCCC1CC[NH2+]CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251428	0	48	0.0	-63.83	369.75	6.30	-57.53
O=C(CCCCC1CC[NH2+]CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251428	1	48	0.0	-63.83	369.79	6.30	-57.53
[NH3+]CC1=CN2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C2C=C1	REAL300020251429	0	39	0.0	-94.21	332.78	3.97	-90.24
[NH3+]CC1=CN2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2C=C1	REAL300020251429	1	39	0.0	-94.21	332.73	3.96	-90.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CNC2=CC=CC=C21	REAL300020251430	0	36	-1.0	-40.19	303.17	4.44	-35.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CNC2=CC=CC=C21	REAL300020251430	1	36	-1.0	-40.13	303.22	4.43	-35.70
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CC[NH2+]CC2=N1	REAL300020251431	0	39	0.0	-67.28	318.94	3.79	-63.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCNCC2=N1	REAL300020251431	1	38	-1.0	-46.36	315.75	2.39	-43.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCNCC2=N1	REAL300020251431	1	38	-1.0	-46.32	315.79	2.39	-43.93
[NH3+]CCN1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020251432	0	43	0.0	-73.03	341.47	2.34	-70.69
[NH3+]CCN1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020251432	1	43	0.0	-73.05	341.52	2.34	-70.71
CCCCCCCCC([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251433	0	50	0.0	-53.82	392.59	5.95	-47.87
CC1[NH2+]CCN2C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C12	REAL300020251434	0	41	0.0	-59.26	323.48	4.95	-54.31
CC1NCCN2C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C12	REAL300020251434	1	40	-1.0	-40.17	319.22	3.66	-36.51
CC1NCCN2C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C12	REAL300020251434	1	40	-1.0	-41.01	320.74	3.67	-37.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCNC2=C1	REAL300020251435	0	36	-1.0	-42.56	301.48	4.66	-37.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCNC2=C1	REAL300020251435	1	36	-1.0	-42.49	301.53	4.67	-37.82
O=C(CC1CNC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251436	0	39	-1.0	-39.09	323.04	5.16	-33.93
O=C(CC1CNC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251436	1	39	-1.0	-39.07	323.09	5.17	-33.90
CN1N=CC(N)=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251437	0	38	-1.0	-40.43	323.09	2.43	-38.00
CN1N=CC(N)=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251437	1	38	-1.0	-40.45	323.13	2.44	-38.01
[NH3+]C1CCC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300020251438	0	44	0.0	-74.82	353.96	2.94	-71.88
[NH3+]CCCC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251439	0	46	0.0	-74.39	378.87	5.55	-68.84
[NH3+]CCCC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251439	1	46	0.0	-73.39	377.90	5.53	-67.86
O=C(CC1CNCCS1(=O)=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251440	0	38	-1.0	-52.16	317.35	-0.00	-52.16
O=C(CC1CNCCS1(=O)=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251440	1	38	-1.0	-52.13	317.40	0.01	-52.12
[NH3+][C@@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020251441	0	42	0.0	-51.33	340.53	5.16	-46.17
[NH3+][C@@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020251441	1	42	0.0	-51.43	340.57	5.16	-46.27
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOCC1	REAL300020251442	0	43	0.0	-56.91	327.40	2.26	-54.65
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOCC1	REAL300020251442	1	43	0.0	-56.95	327.44	2.26	-54.69
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCC1	REAL300020251443	0	45	0.0	-52.35	335.50	4.65	-47.70
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCCC1	REAL300020251443	1	45	0.0	-52.45	335.54	4.65	-47.80
[NH3+][C@@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1CCCCC1	REAL300020251444	0	48	0.0	-53.60	360.43	5.33	-48.27
[NH3+][C@@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1CCCCC1	REAL300020251444	1	48	0.0	-53.64	360.48	5.33	-48.31
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C(C)N)S1	REAL300020251445	0	37	-1.0	-45.12	323.24	1.73	-43.39
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C(C)[NH3+])S1	REAL300020251445	1	38	0.0	-54.48	327.76	2.08	-52.40
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C(C)N)S1	REAL300020251445	1	37	-1.0	-45.03	323.28	1.74	-43.29
[NH3+]C1CCC2(CC2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251446	0	43	0.0	-60.20	336.27	4.11	-56.09
[NH3+]C1CCC2(CC2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251446	1	43	0.0	-60.17	336.31	4.12	-56.05
[NH3+]C(CC1=NC=CS1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251447	0	35	0.0	-53.53	307.76	1.40	-52.13
NC(CC1=NC=CS1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251447	1	34	-1.0	-38.71	304.85	1.13	-37.58
NC(CC1=NC=CS1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251447	1	34	-1.0	-37.69	305.91	1.17	-36.52
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(N2CC[NH2+]CC2)=N1	REAL300020251448	0	41	0.0	-72.04	344.26	2.53	-69.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(N2CC[NH2+]CC2)=N1	REAL300020251448	1	41	0.0	-72.04	344.22	2.52	-69.52
COC(=O)CC[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251449	0	41	0.0	-61.03	335.59	2.96	-58.07
COC(=O)CC[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251449	1	41	0.0	-61.03	335.63	2.97	-58.06
[NH3+]CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020251450	0	33	0.0	-69.80	294.88	2.68	-67.12
[NH3+]CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020251450	1	33	0.0	-69.84	294.92	2.68	-67.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCC[NH2+]CC2=C1	REAL300020251451	0	41	0.0	-67.61	330.61	4.34	-63.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCNCC2=C1	REAL300020251451	1	40	-1.0	-41.68	328.11	3.09	-38.59
N#CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CC[NH2+]CC1	REAL300020251452	0	40	0.0	-65.87	320.84	4.13	-61.74
N#CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CC[NH2+]CC1	REAL300020251452	1	40	0.0	-72.97	321.88	4.16	-68.81
CC1CN2N=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2CN1	REAL300020251453	0	39	-1.0	-48.18	325.01	1.88	-46.30
CC1CN2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2CN1	REAL300020251453	1	39	-1.0	-48.12	325.06	1.89	-46.23
CC1CN2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C[NH2+]1	REAL300020251453	1	40	0.0	-76.98	328.07	3.18	-73.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CCC[NH2+]2)N=C1	REAL300020251454	0	41	0.0	-52.93	335.95	3.69	-49.24
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(CC[NH3+])S1	REAL300020251455	0	38	0.0	-68.88	327.65	2.10	-66.78
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(CC[NH3+])S1	REAL300020251455	1	38	0.0	-68.82	327.70	2.10	-66.72
CC[NH2+]CC1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251456	0	48	0.0	-64.30	367.21	6.43	-57.87
CC[NH2+]CC1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251456	1	48	0.0	-64.32	367.26	6.43	-57.89
NC1=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=NN2C=C1	REAL300020251457	0	35	-1.0	-50.75	304.15	3.12	-47.63
NC1=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=NN2C=C1	REAL300020251457	1	35	-1.0	-50.73	304.11	3.12	-47.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC[NH2+]C(C2CCCO2)C1	REAL300020251458	0	47	0.0	-50.36	353.75	4.24	-46.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC[NH2+]C(C2CCCO2)C1	REAL300020251458	1	47	0.0	-50.42	353.79	4.24	-46.18
O=C(CC1CCNC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251459	0	42	-1.0	-39.58	335.19	5.89	-33.69
O=C(CC1CCNC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251459	1	42	-1.0	-39.53	335.24	5.89	-33.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C[NH2+]CCOC2=C1	REAL300020251460	0	41	0.0	-70.47	330.64	4.35	-66.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1CC[NH2+]CC1	REAL300020251461	0	39	0.0	-67.76	313.96	4.04	-63.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1CC[NH2+]CC1	REAL300020251461	1	39	0.0	-67.74	314.00	4.04	-63.70
[NH3+][C@@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1=CC(F)=C(F)C=C1F	REAL300020251462	0	42	0.0	-59.27	358.18	5.28	-53.99
[NH3+][C@@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1=CC(F)=C(F)C=C1F	REAL300020251462	1	42	0.0	-59.29	358.23	5.28	-54.01
[NH3+]CC1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020251463	0	35	0.0	-67.53	309.99	1.39	-66.14
NCC1=NC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020251463	1	34	-1.0	-42.37	306.50	0.99	-41.38
NCC1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020251463	1	34	-1.0	-42.36	306.54	0.99	-41.37
NCC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020251464	0	31	-1.0	-39.56	286.54	0.32	-39.24
NCC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020251464	1	31	-1.0	-39.48	286.58	0.32	-39.16
[NH3+]CC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020251464	1	32	0.0	-66.91	290.05	0.72	-66.19
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(CN)S1	REAL300020251465	0	34	-1.0	-48.38	303.91	0.97	-47.41
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(CN)S1	REAL300020251465	1	34	-1.0	-48.39	303.95	0.97	-47.42
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C[NH3+])S1	REAL300020251465	1	35	0.0	-63.37	307.20	1.38	-61.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CNCCN2N=C1	REAL300020251466	0	36	-1.0	-43.67	300.92	1.09	-42.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CNCCN2N=C1	REAL300020251466	1	36	-1.0	-43.60	300.97	1.10	-42.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C[NH2+]CCN2N=C1	REAL300020251466	1	37	0.0	-73.71	303.98	2.44	-71.27
[NH3+]CCC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)COCCO1	REAL300020251467	0	44	0.0	-63.40	337.78	1.71	-61.69
[NH3+]CCC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)COCCO1	REAL300020251467	1	44	0.0	-63.47	337.83	1.71	-61.76
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251468	0	45	0.0	-57.05	361.54	5.95	-51.10
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251468	1	45	0.0	-57.07	361.58	5.95	-51.12
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251469	0	45	0.0	-55.38	362.55	5.95	-49.43
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251469	1	45	0.0	-55.39	362.60	5.96	-49.43
COC(=O)C[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251470	0	38	0.0	-52.63	313.29	2.20	-50.43
COC(=O)C[C@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251470	1	38	0.0	-52.60	313.33	2.20	-50.40
[NH3+]CC(CC1CCCC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251471	0	45	0.0	-69.08	346.38	4.38	-64.70
[NH3+]CC(CC1CCCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251471	1	45	0.0	-69.16	346.47	4.38	-64.78
[NH3+]CCCCSCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251472	0	39	0.0	-70.53	333.10	3.46	-67.07
[NH3+]CCCCSCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251472	1	39	0.0	-70.51	333.14	3.46	-67.05
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)C1	REAL300020251473	0	46	0.0	-89.29	368.60	0.93	-88.36
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)C1	REAL300020251473	1	46	0.0	-89.28	368.64	0.93	-88.35
[NH3+]C1CCC2(CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)CC1	REAL300020251474	0	46	0.0	-70.57	351.46	4.58	-65.99
[NH3+]C1CCC2(CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)CC1	REAL300020251474	1	46	0.0	-70.47	351.50	4.59	-65.88
[NH3+]C(CCSC(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251475	0	36	0.0	-60.36	327.07	3.09	-57.27
CC1(C)C[NH2+]C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251476	0	42	0.0	-46.24	328.27	4.64	-41.60
CC1(C)C[NH2+]C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251476	1	42	0.0	-46.22	328.31	4.64	-41.58
[NH3+]CC1(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=N2)CCC1	REAL300020251477	0	45	0.0	-60.60	360.29	4.19	-56.41
[NH3+]CC1(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=N2)CCC1	REAL300020251477	1	45	0.0	-60.63	360.24	4.19	-56.44
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251478	0	44	0.0	-77.21	366.38	2.58	-74.63
NC(=N[N+](=O)[O-])NCCC[C@H](N)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251478	1	43	-1.0	-47.23	366.22	2.30	-44.93
CN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C1CCCC[NH2+]1	REAL300020251479	0	47	0.0	-63.27	360.59	6.62	-56.65
CN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C1CCCC[NH2+]1	REAL300020251479	1	47	0.0	-63.46	360.93	6.64	-56.82
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(N2CC[NH2+]CC2)=N1	REAL300020251480	0	44	0.0	-68.28	361.17	3.18	-65.10
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(N2CC[NH2+]CC2)=N1	REAL300020251480	1	44	0.0	-68.26	361.21	3.18	-65.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	REAL300020251481	0	50	0.0	-64.87	382.15	4.68	-60.19
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251482	0	42	0.0	-78.86	342.37	0.13	-78.73
O=C(CC[C@@H]1CCCC[NH2+]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251483	0	42	0.0	-56.92	326.81	4.98	-51.94
O=C(CC[C@@H]1CCCC[NH2+]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251483	1	42	0.0	-56.94	326.85	4.99	-51.95
[NH3+]CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251484	0	39	0.0	-76.89	322.82	4.28	-72.61
[NH3+]CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251484	1	39	0.0	-76.90	322.88	4.29	-72.61
COC(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251485	0	38	0.0	-69.82	319.07	2.09	-67.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C[NH2+]CC2)S1	REAL300020251486	0	37	0.0	-69.50	315.51	4.72	-64.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1C[NH2+]CCO2	REAL300020251487	0	41	0.0	-53.22	324.81	4.38	-48.84
[NH3+]C1(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCCC1	REAL300020251488	0	42	0.0	-62.79	325.33	3.77	-59.02
[NH3+]C1(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCCC1	REAL300020251488	1	42	0.0	-62.87	325.38	3.78	-59.09
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251489	0	45	0.0	-72.33	372.50	4.63	-67.70
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251489	1	45	0.0	-72.35	372.55	4.64	-67.71
COC(=O)C[C@@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251490	0	38	0.0	-52.61	313.31	2.20	-50.41
COC(=O)C[C@@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251490	1	38	0.0	-52.63	313.35	2.20	-50.43
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251491	0	39	0.0	-54.95	336.70	4.62	-50.33
NC(CC1=CC=CC=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251491	1	38	-1.0	-39.74	335.62	4.33	-35.41
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCCC1	REAL300020251492	0	48	0.0	-53.01	347.75	5.02	-47.99
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCCCC1	REAL300020251492	1	48	0.0	-53.08	347.79	5.02	-48.06
[NH3+]C1CCN2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C1	REAL300020251493	0	40	0.0	-81.97	323.52	2.08	-79.89
[NH3+]C1CCN2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C1	REAL300020251493	1	40	0.0	-81.95	323.58	2.09	-79.86
CC1(C)CC[NH2+]CC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251494	0	42	0.0	-58.21	313.31	4.26	-53.95
CC1(C)CC[NH2+]CC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251494	1	42	0.0	-58.24	313.35	4.25	-53.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC([C@@H]2CCC[NH2+]2)=N1	REAL300020251495	0	39	0.0	-62.18	325.29	1.06	-61.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC([C@@H]2CCCN2)=N1	REAL300020251495	1	38	-1.0	-45.18	323.91	-0.25	-45.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC([C@@H]2CCCN2)=N1	REAL300020251495	1	38	-1.0	-45.15	323.95	-0.24	-45.39
[NH3+]C(CC(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251496	0	32	0.0	-52.98	278.56	1.75	-51.23
NC1=CC=C2SC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C1	REAL300020251497	0	35	-1.0	-44.19	315.78	4.77	-39.42
NC1=CC=C2SC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C1	REAL300020251497	1	35	-1.0	-44.16	315.82	4.77	-39.39
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CN)=N1	REAL300020251498	0	34	-1.0	-40.05	303.55	0.94	-39.11
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CN)=N1	REAL300020251498	1	34	-1.0	-40.03	303.60	0.94	-39.09
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C[NH3+])=N1	REAL300020251498	1	35	0.0	-66.87	307.06	1.35	-65.52
[NH3+]CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOC1	REAL300020251499	0	40	0.0	-55.43	313.56	1.56	-53.87
[NH3+]CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOC1	REAL300020251499	1	40	0.0	-55.47	313.61	1.56	-53.91
O=C(CC[C@H]1CCCC[NH2+]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251500	0	42	0.0	-53.17	326.81	4.98	-48.19
O=C(CC[C@H]1CCCC[NH2+]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251500	1	42	0.0	-53.19	326.86	4.99	-48.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1	REAL300020251501	0	48	0.0	-77.02	373.20	3.19	-73.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1	REAL300020251501	1	48	0.0	-77.00	373.25	3.19	-73.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)C1CCC[NH2+]CC1	REAL300020251502	0	42	0.0	-66.90	323.46	4.29	-62.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)C1CCC[NH2+]CC1	REAL300020251502	1	42	0.0	-66.92	323.51	4.29	-62.63
[NH3+]CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC1	REAL300020251503	0	42	0.0	-53.31	324.46	3.97	-49.34
[NH3+]CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC1	REAL300020251503	1	42	0.0	-53.29	324.50	3.99	-49.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[NH2+]C[C@H]1C(F)F	REAL300020251504	0	36	0.0	-58.86	298.36	3.30	-55.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[NH2+]C[C@H]1C(F)F	REAL300020251504	1	36	0.0	-49.96	299.43	3.32	-46.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CNCCN2C(Br)=N1	REAL300020251505	0	36	-1.0	-48.98	321.85	2.36	-46.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CNCCN2C(Br)=N1	REAL300020251505	1	36	-1.0	-48.92	321.89	2.37	-46.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C[NH2+]CCN2C(Br)=N1	REAL300020251505	1	37	0.0	-80.09	324.91	3.71	-76.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CNCCN2C=N1	REAL300020251506	0	36	-1.0	-51.04	301.47	2.61	-48.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C[NH2+]CCN2C=N1	REAL300020251506	1	37	0.0	-77.95	304.53	3.95	-74.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CNCCN2C=N1	REAL300020251506	1	36	-1.0	-50.99	301.51	2.61	-48.38
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1CCCCC1	REAL300020251507	0	48	0.0	-58.51	360.44	5.33	-53.18
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1CCCCC1	REAL300020251507	1	48	0.0	-58.54	360.48	5.33	-53.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CCC[NH2+]2)S1	REAL300020251508	0	40	0.0	-56.39	337.27	5.56	-50.83
[NH3+]C(CC1CCCCO1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251509	0	43	0.0	-55.72	337.76	2.43	-53.29
[NH3+][C@H](CC1=CC=CC=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251510	0	38	0.0	-48.13	314.75	3.16	-44.97
N[C@H](CC1=CC=CC=N1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251510	1	37	-1.0	-38.54	314.45	2.59	-35.95
N[C@H](CC1=CC=CC=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251510	1	37	-1.0	-38.50	314.50	2.59	-35.91
CC1=CC=CN=C1CC([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251511	0	41	0.0	-45.90	335.88	3.13	-42.77
CC1=CC=CN=C1CC(N)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251511	1	40	-1.0	-42.32	327.70	2.93	-39.39
CC1=CC=CN=C1CC(N)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251511	1	40	-1.0	-42.27	327.74	2.93	-39.34
[NH3+]C(CCC1=CC=NC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251512	0	41	0.0	-62.12	339.92	3.32	-58.80
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020251513	0	41	0.0	-61.92	335.06	1.02	-60.90
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020251513	1	41	0.0	-65.29	336.02	1.02	-64.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2CCC[NH2+]C2)=N1	REAL300020251514	0	42	0.0	-69.81	351.54	3.98	-65.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2CCC[NH2+]C2)=N1	REAL300020251514	1	42	0.0	-69.78	351.58	3.99	-65.79
[NH3+]C1(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCOCC1	REAL300020251515	0	43	0.0	-66.38	326.41	1.71	-64.67
[NH3+]C1(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCOCC1	REAL300020251515	1	43	0.0	-66.39	326.45	1.71	-64.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CCC2CCCC[NH2+]2)N=N1	REAL300020251516	0	48	0.0	-80.31	384.87	4.45	-75.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CCC2CCCC[NH2+]2)N=N1	REAL300020251516	1	48	0.0	-80.29	384.82	4.46	-75.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1	REAL300020251517	0	46	0.0	-55.02	361.41	6.67	-48.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1	REAL300020251517	1	46	0.0	-55.07	361.45	6.68	-48.39
[NH3+][C@H]1CC[C@H](OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251518	0	43	0.0	-72.04	340.55	3.28	-68.76
[NH3+][C@H]1CC[C@H](OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251518	1	43	0.0	-72.03	340.59	3.28	-68.75
[NH3+][C@@H](CC1=CC=NC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251519	0	38	0.0	-57.48	317.90	2.52	-54.96
N[C@@H](CC1=CC=NC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251519	1	37	-1.0	-37.67	317.22	2.23	-35.44
[NH3+]C(CC1CC=CCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251520	0	43	0.0	-59.88	331.68	4.63	-55.25
[NH3+]C1(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCOC1	REAL300020251521	0	40	0.0	-64.05	314.66	1.13	-62.92
[NH3+]C1(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCOC1	REAL300020251521	1	40	0.0	-64.13	314.70	1.13	-63.00
C[C@@]1(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCC[NH2+]1	REAL300020251522	0	42	0.0	-56.71	324.62	4.46	-52.25
C[C@@]1(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCC[NH2+]1	REAL300020251522	1	42	0.0	-56.70	324.66	4.46	-52.24
C[NH2+]C(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251523	0	42	0.0	-55.75	337.83	6.30	-49.45
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251524	0	46	0.0	-55.01	372.51	6.03	-48.98
CC[NH2+]C(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251525	0	45	0.0	-54.83	357.01	6.69	-48.14
[NH3+][C@@H](CC1CCCCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251526	0	45	0.0	-59.87	344.11	4.45	-55.42
[NH3+]C(CCC1=CC=CC=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251527	0	41	0.0	-61.26	339.20	3.30	-57.96
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251528	0	42	0.0	-59.70	344.00	5.06	-54.64
CCCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300020252529	0	37	-1.0	-40.89	319.16	5.73	-35.16
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(OCC[NH+]3CCCCC3)=C2)C=C1	REAL300020252530	0	50	0.0	-64.32	384.89	8.02	-56.30
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCC3=CC=CC=N3)C=C2)C=C1	REAL300020252531	0	40	-1.0	-42.83	339.01	6.05	-36.78
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2OCC2=CC=C(F)C=C2Cl)C=C1	REAL300020252532	0	41	-1.0	-41.39	370.36	8.74	-32.65
CC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1OC1CCOC1	REAL300020252533	0	42	-1.0	-42.28	340.35	4.84	-37.44
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC3CCOC3)C=C2)C=C1	REAL300020252534	0	39	-1.0	-42.04	320.30	4.10	-37.94
COCCOC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252535	0	38	-1.0	-44.26	319.98	3.96	-40.30
O=C1[N-]N=NN1C1=CC=C(C2=CC(F)=CC=C2OCC2CCCO2)C=C1	REAL300020252536	0	42	-1.0	-45.95	354.39	5.57	-40.38
O=C1[N-]N=NN1C1=CC=C(C2=CC(F)=CC=C2OCCC2=CC=CC=C2)C=C1	REAL300020252537	0	44	-1.0	-41.32	378.66	8.93	-32.39
O=C1[N-]N=NN1C1=CC=C(C2=CC(F)=CC=C2OCC2CCOC2)C=C1	REAL300020252538	0	42	-1.0	-44.17	353.43	5.24	-38.93
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2OCC2=CC=C(F)C=C2F)C=C1	REAL300020252539	0	41	-1.0	-41.07	360.92	8.33	-32.74
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC3CCCC3)C=C2)C=C1	REAL300020252540	0	41	-1.0	-40.21	329.58	6.67	-33.54
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(CN3CCS(=O)(=O)CC3)=C2)C=C1	REAL300020252541	0	45	-1.0	-48.43	370.84	2.12	-46.31
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(OCC[NH+]3CCCCC3)=C2)C=C1	REAL300020252542	0	50	0.0	-64.32	384.89	8.02	-56.30
C[NH+](C)CCOC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252543	0	43	0.0	-64.83	343.24	6.14	-58.69
COCCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252544	0	38	-1.0	-42.90	319.96	3.97	-38.93
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(CO)C(Cl)=C2)C=C1	REAL300020252545	0	31	-1.0	-39.96	280.95	2.44	-37.52
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2COC2=CC=CC=C2)C=C1	REAL300020252546	0	41	-1.0	-40.79	344.40	7.84	-32.95
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2COC2=CC=C(F)C=C2)C=C1	REAL300020252547	0	41	-1.0	-40.21	350.81	7.91	-32.30
CCCSCC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252548	0	40	-1.0	-41.20	344.12	8.03	-33.17
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2OC2CCCCC2)C=C1	REAL300020252549	0	44	-1.0	-42.68	350.45	7.58	-35.10
COCC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300020252550	0	34	-1.0	-38.98	293.77	4.42	-34.56
CC1CCC[N@@H+]1CC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252551	0	46	0.0	-61.82	351.27	7.75	-54.07
CC1CCC[N@H+]1CC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252551	1	46	0.0	-61.77	351.29	7.75	-54.02
CC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252552	0	46	0.0	-65.54	359.69	8.19	-57.35
CC1CCC[N@H+]1CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252552	1	46	0.0	-65.23	351.28	7.76	-57.47
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2CC2=CC=CC=C2)C=C1	REAL300020252553	0	40	-1.0	-41.26	334.39	8.71	-32.55
CC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1OCCN1CCOCC1	REAL300020252554	0	50	-1.0	-42.36	395.06	4.06	-38.30
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(Cl)C3=CC=CC=C32)C=C1	REAL300020252555	0	33	-1.0	-38.80	296.55	7.13	-31.67
CC(C)(C)C(=O)NC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020252556	0	42	-1.0	-48.11	346.33	5.07	-43.04
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300020252557	0	27	-1.0	-38.90	270.57	5.54	-33.36
O=C1[N-]N=NN1C1=CC=C(C2=CC(Cl)=CC=C2Cl)C=C1	REAL300020252558	0	27	-1.0	-38.10	270.59	5.55	-32.55
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300020252559	0	30	-1.0	-40.95	271.12	5.35	-35.60
O=C1[N-]N=NN1C1=CC=C(C2=CC(Cl)=CC(Cl)=C2)C=C1	REAL300020252560	0	27	-1.0	-37.36	268.48	5.49	-31.87
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300020252561	0	30	-1.0	-40.86	274.07	5.47	-35.39
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300020252562	0	30	-1.0	-38.79	273.73	5.47	-33.32
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300020252563	0	31	-1.0	-39.76	285.53	4.61	-35.15
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCC3CC3)C=C2)C=C1	REAL300020252564	0	38	-1.0	-40.58	318.01	6.28	-34.30
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2OCC2CC2)C=C1	REAL300020252565	0	38	-1.0	-42.94	322.59	6.62	-36.32
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300020252566	0	27	-1.0	-39.10	266.91	5.44	-33.66
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(CN3C=CN=C3)C=C2)C=C1	REAL300020252567	0	37	-1.0	-45.81	318.30	7.74	-38.07
CC(C)(C)OC(=O)N1C=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252568	0	40	-1.0	-46.00	328.66	5.69	-40.31
CCC(C)OC1=CC=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252569	0	40	-1.0	-42.51	327.94	6.40	-36.11
COC1=C2OC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC2=CC=C1	REAL300020252570	0	34	-1.0	-42.28	296.86	4.43	-37.85
CC1=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CC=C2C=C1	REAL300020252571	0	36	-1.0	-40.87	301.00	7.25	-33.62
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C(F)(F)F)S2)C=C1	REAL300020252572	0	27	-1.0	-36.73	268.79	4.86	-31.87
CC1=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CN=C2C=C1	REAL300020252573	0	35	-1.0	-40.25	296.12	5.38	-34.87
COCC(C)OC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252574	0	41	-1.0	-44.14	336.57	4.67	-39.47
O=C1[N-]N=NN1C1=CC=C(C2=CC=NC3=CC(Cl)=CC=C32)C=C1	REAL300020252575	0	32	-1.0	-38.85	294.28	5.36	-33.49
COC1=NC=C(Cl)C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252576	0	30	-1.0	-39.52	283.45	2.03	-37.49
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3OC(F)(F)OC3=C2)C=C1	REAL300020252577	0	30	-1.0	-40.91	274.62	3.55	-37.36
O=C(OCC1=CC=CC=C1)N1CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020252578	0	46	-1.0	-43.86	388.66	7.63	-36.23
COC(=O)C1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CN1C(=O)OC(C)(C)C	REAL300020252579	0	46	-1.0	-43.20	382.25	6.78	-36.42
CN1N=C(C(F)(F)F)C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252580	0	30	-1.0	-38.27	277.28	2.99	-35.28
CC(=O)N1N=CC2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300020252581	0	35	-1.0	-51.55	302.75	4.46	-47.09
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC3=C2OC(F)(F)O3)C=C1	REAL300020252582	0	30	-1.0	-44.30	281.17	3.81	-40.49
CN1C(=O)NC2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300020252583	0	34	-1.0	-45.04	293.02	3.33	-41.71
CS(=O)(=O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252584	0	33	-1.0	-46.97	295.69	2.00	-44.97
CCOC(=O)C1=NNC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252585	0	33	-1.0	-41.51	296.74	2.65	-38.86
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(Cl)=C2Cl)C=C1	REAL300020252586	0	27	-1.0	-39.29	269.05	5.49	-33.80
C[NH+](C)CCC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252587	0	42	0.0	-69.87	335.87	7.22	-62.65
CN1C=C(COC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)C=N1	REAL300020252588	0	41	-1.0	-46.76	349.09	5.51	-41.25
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(COC3CCOC3)=C2)C=C1	REAL300020252589	0	42	-1.0	-42.75	347.37	4.62	-38.13
C=CCCOC1=CC=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252590	0	38	-1.0	-41.33	325.19	6.40	-34.93
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC(F)F)C=C2F)C=C1	REAL300020252591	0	31	-1.0	-44.32	285.57	4.28	-40.04
O=C1[N-]N=NN1C1=CC=C(C2=CC(F)=CC=C2OCC(F)(F)F)C=C1	REAL300020252592	0	34	-1.0	-45.13	316.86	5.56	-39.57
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(SC(F)F)C=C2)C=C1	REAL300020252593	0	31	-1.0	-40.71	284.78	5.73	-34.98
O=C1[N-]N=NN1C1=CC=C(C2=CC(F)=CC(COC3CCCCC3)=C2)C=C1	REAL300020252594	0	47	-1.0	-39.49	380.26	7.90	-31.59
CC(C)COC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020252595	0	39	-1.0	-39.99	325.66	3.60	-36.39
CC1=CC(OC(F)F)=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252596	0	34	-1.0	-41.03	296.07	4.70	-36.33
COC1=CC(OC(F)F)=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252597	0	35	-1.0	-43.12	308.20	3.69	-39.43
CC(C)C1=CC=C2SC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC2=C1	REAL300020252598	0	39	-1.0	-38.81	335.03	7.99	-30.82
C[NH+](C)CC1=CC=C(F)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252599	0	39	0.0	-69.61	324.71	6.61	-63.00
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(CN3CCCS3(=O)=O)=C2)C=C1	REAL300020252600	0	42	-1.0	-46.48	358.12	3.50	-42.98
CC1=CC(C)=NN1CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252601	0	43	-1.0	-44.08	360.07	7.18	-36.90
CN(C)C1=CC=CC2=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=CC=C12	REAL300020252602	0	41	-1.0	-40.09	335.66	6.58	-33.51
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(CSC3=NNC=N3)C=C2)C=C1	REAL300020252603	0	37	-1.0	-47.03	334.79	6.56	-40.47
C[NH+](C)CC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300020252604	0	39	0.0	-61.82	319.53	6.48	-55.34
CN(C)CC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300020252604	1	38	-1.0	-39.69	311.16	3.75	-35.94
CC(C)(C)OC(=O)N1CCC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020252605	0	45	-1.0	-43.43	361.80	5.67	-37.76
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(S(=O)(=O)NCCO)C=C2)C=C1	REAL300020252606	0	39	-1.0	-46.11	343.75	-1.82	-47.93
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(OCC3=CC=CC=C3)=C2CO)C=C1	REAL300020252607	0	45	-1.0	-43.51	375.67	5.41	-38.10
O=C1[N-]N=NN1C1=CC=C(C2=CC([N+](=O)[O-])=CC=C2CO)C=C1	REAL300020252608	0	33	-1.0	-39.31	294.17	2.63	-36.68
CC1=CC(C)=C(OCC2=CC=CC=C2)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252609	0	47	-1.0	-44.02	396.23	9.64	-34.38
O=C1[N-]N=NN1C1=CC=C(C2=CSC=C2C(F)(F)F)C=C1	REAL300020252610	0	27	-1.0	-41.67	263.54	4.41	-37.26
CC(C)(O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300020252611	0	37	-1.0	-41.23	315.35	3.40	-37.83
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3C=CC(=O)NC3=C2)C=C1	REAL300020252612	0	33	-1.0	-45.14	286.38	3.51	-41.63
O=C1[N-]N=NN1C1=CC=C(C2=CC(F)=CC(CN3C=CN=C3)=C2)C=C1	REAL300020252613	0	37	-1.0	-44.42	324.71	7.79	-36.63
O=C1[N-]N=NN1C1=CC=C(C2=C3OCCOC3=CS2)C=C1	REAL300020252614	0	30	-1.0	-41.66	269.99	2.46	-39.20
COC(=O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C([N+](=O)[O-])=C1	REAL300020252615	0	35	-1.0	-48.47	321.44	5.92	-42.55
COC(=O)C1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC([N+](=O)[O-])=C1	REAL300020252616	0	35	-1.0	-41.04	317.96	5.79	-35.25
C[NH+](C)CCOC1=CC=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252617	0	43	0.0	-61.87	347.77	6.49	-55.38
CC1=NC2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300020252618	0	35	-1.0	-42.56	297.69	5.45	-37.11
O=C1[N-]N=NN1C1=CC=C(C2=C(F)C3=CC=CC=C3C=C2)C=C1	REAL300020252619	0	33	-1.0	-43.41	291.55	6.93	-36.48
COC(=O)C1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1O	REAL300020252620	0	34	-1.0	-43.91	298.59	3.17	-40.74
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC(F)F)N=C2)C=C1	REAL300020252621	0	30	-1.0	-43.19	273.30	1.87	-41.32
O=C1[N-]N=NN1C1=CC=C(C2=CN=CC(N3C=CC=N3)=C2)C=C1	REAL300020252622	0	33	-1.0	-44.79	288.57	3.88	-40.91
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C3=CON=C3)C=C2)C=C1	REAL300020252623	0	33	-1.0	-43.52	288.21	5.47	-38.05
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(F)C=C2[N+](=O)[O-])C=C1	REAL300020252624	0	29	-1.0	-45.40	273.17	5.34	-40.06
CCOC(=O)C1=CN=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252625	0	35	-1.0	-42.45	306.85	4.27	-38.18
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(SC(F)(F)F)C=C2)C=C1	REAL300020252626	0	31	-1.0	-39.34	291.36	5.93	-33.41
COC(=O)C1=CC(O)=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252627	0	34	-1.0	-44.47	300.80	2.27	-42.20
COC1=C2OC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC2=CC=C1	REAL300020252628	0	34	-1.0	-42.28	296.86	4.43	-37.85
CNC(=O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C	REAL300020252629	0	37	-1.0	-44.57	307.40	3.43	-41.14
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C3(CO)CC3)C=C2)C=C1	REAL300020252630	0	38	-1.0	-41.46	320.65	3.83	-37.63
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300020252631	0	31	-1.0	-39.67	281.00	4.26	-35.41
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC(F)F)C(F)=C2)C=C1	REAL300020252632	0	31	-1.0	-41.38	280.45	4.12	-37.26
COC(=O)CC1=CC=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252633	0	36	-1.0	-42.24	312.64	5.88	-36.36
O=C1[N-]N=NN1C1=CC=C(C2=CN=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C=C1	REAL300020252634	0	40	-2.0	-91.10	358.69	2.60	-88.50
O=C1[N-]N=NN1C1=CC=C(C2=CN=CC(NS(=O)(=O)C3=CC=CC=C3)=C2)C=C1	REAL300020252634	1	41	-1.0	-44.01	361.13	2.61	-41.40
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC3CCCCC3)C=C2)C=C1	REAL300020252635	0	44	-1.0	-40.03	345.89	7.23	-32.80
COC1=NC(C(F)(F)F)=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252636	0	33	-1.0	-41.13	306.40	2.60	-38.53
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300020252637	0	27	-1.0	-38.90	270.57	5.54	-33.36
COCCCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252638	0	41	-1.0	-42.01	341.51	4.57	-37.44
O=C1[N-]N=NN1C1=CC=C(C2=CC(Cl)=CC=C2Cl)C=C1	REAL300020252639	0	27	-1.0	-38.10	270.59	5.55	-32.55
O=C1[N-]N=NN1C1=CC=C(C2=CC([N+](=O)[O-])=CC=C2CCO)C=C1	REAL300020252640	0	36	-1.0	-43.39	316.73	3.13	-40.26
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(SC(F)(F)F)C=C2)C=C1	REAL300020252641	0	31	-1.0	-39.34	291.36	5.93	-33.41
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC(F)(F)F)C=C2)C=C1	REAL300020252642	0	31	-1.0	-39.40	280.97	4.26	-35.14
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C(F)(F)F)C=C2CO)C=C1	REAL300020252643	0	34	-1.0	-38.50	304.98	2.98	-35.52
CC1=CC(C)=NN1C1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252644	0	40	-1.0	-48.41	334.16	6.66	-41.75
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC3=C2OCCCO3)C=C1	REAL300020252645	0	36	-1.0	-43.55	302.46	4.72	-38.83
CCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(CC)=C1	REAL300020252646	0	40	-1.0	-39.38	328.44	6.05	-33.33
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC3=CC=CC(C(F)(F)F)=C3)C=C2)C=C1	REAL300020252647	0	41	-1.0	-41.89	362.76	8.33	-33.56
COCCOC1=CC2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300020252648	0	44	-1.0	-43.72	365.91	6.24	-37.48
O=C1[N-]N=NN1C1=CC=C(C2=CN(C3=CC=CC(C(F)(F)F)=C3)N=C2)C=C1	REAL300020252649	0	37	-1.0	-44.28	336.03	6.76	-37.52
CC1(C)CC2=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C2O1	REAL300020252650	0	38	-1.0	-41.02	312.47	5.71	-35.31
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(CN3C=CN=C3)C=C2)C=C1	REAL300020252651	0	37	-1.0	-45.81	318.30	7.74	-38.07
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3NC(=O)CCC3=C2)C=C1	REAL300020252652	0	35	-1.0	-43.35	294.83	3.65	-39.70
CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(F)(F)F	REAL300020252653	0	33	-1.0	-40.95	289.39	5.99	-34.96
O=C1[N-]N=NN1C1=CC=C(C2=CC3=C(C=C2CO)OCCO3)C=C1	REAL300020252654	0	37	-1.0	-41.55	310.43	1.12	-40.43
COC(=O)C1=CC=C(CO)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252655	0	37	-1.0	-41.49	320.65	2.62	-38.87
COC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(F)(F)F)=C1	REAL300020252656	0	34	-1.0	-40.79	300.53	4.64	-36.15
O=C1[N-]N=NN1C1=CC=C(C2=CSC(C(F)(F)F)=C2)C=C1	REAL300020252657	0	27	-1.0	-39.51	266.98	4.67	-34.84
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2CC(F)(F)F)C=C1	REAL300020252658	0	33	-1.0	-40.82	293.13	6.08	-34.74
CC(C)(C)OC(=O)N1CCC2=C(C=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)S2)C1	REAL300020252659	0	48	-1.0	-42.61	394.86	7.04	-35.57
CC(C)(O)CC1=CC=C(N)C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252660	0	42	-1.0	-40.60	334.65	1.44	-39.16
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(SC(F)(F)F)N=C2)C=C1	REAL300020252661	0	30	-1.0	-39.88	291.35	4.61	-35.27
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300020252662	0	31	-1.0	-39.67	281.00	4.26	-35.41
COC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(F)(F)F	REAL300020252663	0	34	-1.0	-43.00	301.91	4.86	-38.14
CC(C)(C)OC(=O)N1CC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2C1	REAL300020252664	0	48	-1.0	-47.20	389.34	6.84	-40.36
CSC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300020252665	0	31	-1.0	-39.92	280.96	5.54	-34.38
CN(C)C(=O)C1=CN=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252666	0	36	-1.0	-42.36	302.16	2.54	-39.82
O=C1[N-]N=NN1C1=CC=C(C2=CN(C3=CC=CC=N3)N=C2)C=C1	REAL300020252667	0	33	-1.0	-45.60	294.02	5.08	-40.52
COC1=NC=C2C(=C1)C(C1=CC=C(N3N=N[N-]C3=O)C=C1)=CN2C	REAL300020252668	0	37	-1.0	-48.05	323.84	3.25	-44.80
COC(=O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300020252669	0	33	-1.0	-44.14	294.16	5.13	-39.01
NS(=O)(=O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300020252670	0	32	-1.0	-43.35	302.24	-0.03	-43.38
CC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1OCC1=CC=CC(Cl)=C1	REAL300020252671	0	44	-1.0	-41.91	383.03	9.01	-32.90
CC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1OCC1=CC=C(Cl)C=C1	REAL300020252672	0	44	-1.0	-41.53	383.03	9.02	-32.51
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C=C1	REAL300020252673	0	38	-1.0	-39.79	340.42	7.84	-31.95
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCC3=CC=C(Cl)C=C3)C=C2)C=C1	REAL300020252674	0	41	-1.0	-41.62	362.98	8.27	-33.35
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(Cl)C(OC(F)(F)F)=C2)C=C1	REAL300020252675	0	31	-1.0	-40.00	297.02	4.82	-35.18
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCC3=CC=CC(Cl)=C3)C=C2F)C=C1	REAL300020252676	0	41	-1.0	-42.17	374.31	8.50	-33.67
COCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300020252677	0	35	-1.0	-40.85	312.62	4.45	-36.40
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(OC3=CC=C(Cl)C=C3)=C2)C=C1	REAL300020252678	0	38	-1.0	-41.56	340.47	7.82	-33.74
CC1=CC(OCC2=CC=CC(Cl)=C2)=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252679	0	44	-1.0	-40.92	384.83	8.93	-31.99
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C=C1	REAL300020252680	0	37	-1.0	-41.41	325.92	8.41	-33.00
O=C1[N-]N=NN1C1=CC=C(C2=CC3=NC(Cl)=CC=C3S2)C=C1	REAL300020252681	0	29	-1.0	-39.78	286.48	4.60	-35.18
CC(=O)N1CCN(CC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)CC1	REAL300020252682	0	49	-1.0	-46.13	387.10	4.79	-41.34
CC(=O)N1CC[NH+](CC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)CC1	REAL300020252682	1	50	0.0	-74.76	390.30	7.08	-67.68
COC(=O)C1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C	REAL300020252683	0	36	-1.0	-42.13	305.79	5.65	-36.48
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C(F)F)=C2F)C=C1	REAL300020252684	0	30	-1.0	-47.77	279.35	5.61	-42.16
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(F)=C2C(F)(F)F)C=C1	REAL300020252685	0	30	-1.0	-44.46	274.42	5.33	-39.13
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCC(F)(F)F)C=C2F)C=C1	REAL300020252686	0	34	-1.0	-42.24	317.24	5.40	-36.84
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C3(O)CCC3)C=C2)C=C1	REAL300020252687	0	38	-1.0	-41.18	308.16	3.89	-37.29
O=C1[N-]N=NN1C1=CC=C(C2=C(C(F)(F)F)SC=C2)C=C1	REAL300020252688	0	27	-1.0	-41.50	264.03	4.55	-36.95
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCC(F)(F)F)C=C2F)C=C1	REAL300020252689	0	34	-1.0	-42.24	317.24	5.40	-36.84
O=C1[N-]N=NN1C1=CC=C(C2=CN=C(N3CCC(=O)CC3)N=C2)C=C1	REAL300020252690	0	39	-1.0	-42.67	324.92	4.55	-38.12
CC(C)(C)OC(=O)NC1=CC=C(F)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252691	0	44	-1.0	-45.57	368.17	4.94	-40.63
O=C1[N-]N=NN1C1=CC=C(C2=CNC(=O)C(C(F)(F)F)=C2)C=C1	REAL300020252692	0	30	-1.0	-46.64	284.15	2.70	-43.94
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2C[NH+]2CCCCC2)C=C1	REAL300020252693	0	46	0.0	-49.84	355.07	8.29	-41.55
NC1=CC2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300020252694	0	35	-1.0	-42.37	296.21	4.61	-37.76
COC1=CC=C(CSC)C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252695	0	38	-1.0	-42.71	335.18	6.00	-36.71
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(CN3C=CN=C3)=C2)C=C1	REAL300020252696	0	37	-1.0	-45.98	318.30	7.72	-38.26
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C(F)(F)F)=N2)C=C1	REAL300020252697	0	29	-1.0	-41.14	272.96	4.03	-37.11
O=C1[N-]N=NN1C1=CC=C(C2=CC(C(F)(F)F)=CC=N2)C=C1	REAL300020252698	0	29	-1.0	-39.27	271.51	3.92	-35.35
COC(=O)C1=CC2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2N1	REAL300020252699	0	37	-1.0	-42.63	322.86	5.00	-37.63
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3NC(=O)OCC3=C2)C=C1	REAL300020252700	0	33	-1.0	-44.79	285.64	2.48	-42.31
COC1=CC(C=CC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1O	REAL300020252701	0	36	-1.0	-43.48	310.25	3.05	-40.43
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCC3=CC=CC=C3)C=C2)C=C1	REAL300020252702	0	41	-1.0	-41.76	346.24	7.75	-34.01
N#CC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C1CC1	REAL300020252703	0	35	-1.0	-43.28	302.98	6.79	-36.49
CC1=NN(C2=NC=CS2)C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252704	0	33	-1.0	-45.06	308.41	4.64	-40.42
CCOC1=CC=C(C=CC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252705	0	38	-1.0	-41.68	321.33	6.13	-35.55
CS(C)(=O)=NC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252706	0	37	-1.0	-57.02	315.50	2.82	-54.20
O=C1CCC(C2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)N1	REAL300020252707	0	38	-1.0	-45.45	318.34	3.98	-41.47
O=C1[N-]N=NN1C1=CC=C(C2=NC=C(C3=CC=CC=C3)O2)C=C1	REAL300020252708	0	33	-1.0	-39.61	296.56	3.31	-36.30
O=C1[N-]N=NN1C1=CC=C(C2=CC3=CC(O)=CC=C3C=C2)C=C1	REAL300020252709	0	34	-1.0	-42.97	292.09	3.89	-39.08
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC(F)(F)F)C=C2F)C=C1	REAL300020252710	0	31	-1.0	-40.63	292.30	4.49	-36.14
CC(C)(C)OC(=O)N1CCC2=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300020252711	0	48	-1.0	-43.89	381.82	7.29	-36.60
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C(F)F)C(F)=C2)C=C1	REAL300020252712	0	30	-1.0	-42.18	274.40	5.43	-36.75
CC1=C(Br)C=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252713	0	30	-1.0	-38.57	274.92	5.65	-32.92
CC(C)(C)OC(=O)N1CCC(=CC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020252714	0	48	-1.0	-42.16	374.36	6.14	-36.02
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C3CC(F)(F)C3(F)F)C=C2)C=C1	REAL300020252715	0	37	-1.0	-42.56	323.53	7.29	-35.27
O=C1[N-]N=NN1C1=CC=C(C2=CN(C3=CC=NC=C3)N=C2)C=C1	REAL300020252716	0	33	-1.0	-43.46	292.08	4.01	-39.45
O=C1[N-]N=NN1C1=CC=C(C2=CN(C3=CC=[NH+]C=C3)N=C2)C=C1	REAL300020252716	1	34	0.0	-69.72	295.45	4.47	-65.25
O=C1[N-]N=NN1C1=CC=C(C2=CN=CC(OC(F)F)=C2)C=C1	REAL300020252717	0	30	-1.0	-41.51	269.37	2.20	-39.31
CN1N=C(Br)C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252718	0	27	-1.0	-38.16	257.85	2.50	-35.66
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3OCCNC(=O)C3=C2)C=C1	REAL300020252719	0	36	-1.0	-48.97	303.34	1.69	-47.28
O=C1[N-]N=NN1C1=CC=C(C2=CN=C(C3=CC=CC=C3)S2)C=C1	REAL300020252720	0	33	-1.0	-39.90	303.18	5.61	-34.29
C[NH+](C)CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300020252721	0	36	0.0	-66.50	307.56	5.78	-60.72
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3CC4=CC=CC=C4C3=C2)C=C1	REAL300020252722	0	38	-1.0	-43.31	319.22	8.58	-34.73
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(OC(F)F)=C2)C=C1	REAL300020252723	0	31	-1.0	-42.03	274.26	4.04	-37.99
O=C1[N-]N=NN1C1=CC=C(C2=NN(C3CCCCO3)N=C2)C=C1	REAL300020252724	0	37	-1.0	-43.36	312.69	1.57	-41.79
CC1OC2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2NC1=O	REAL300020252725	0	36	-1.0	-43.24	306.06	2.37	-40.87
O=C1[N-]N=NN1C1=CC=C(C=CC2=CC(F)=CC(F)=C2)C=C1	REAL300020252726	0	31	-1.0	-39.99	282.86	6.04	-33.95
O=C1[N-]N=NN1C1=CC=C(C2=C(F)C=CC3=C2OCO3)C=C1	REAL300020252727	0	30	-1.0	-42.41	274.25	3.42	-38.99
COCCN1N=C(C)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300020252728	0	40	-1.0	-40.58	340.35	3.44	-37.14
CC1=NC2=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C2N1C	REAL300020252729	0	36	-1.0	-48.66	302.74	5.58	-43.08
CC(=O)N1C2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2CC1(C)C	REAL300020252730	0	44	-1.0	-44.09	347.14	6.60	-37.49
COCOC1=CC=C(C#N)C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252731	0	36	-1.0	-42.67	321.92	4.58	-38.09
CC(C)(C)OC(=O)C1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252732	0	42	-1.0	-45.12	344.68	7.17	-37.95
COC1=CC=CC(Cl)=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252733	0	31	-1.0	-42.56	285.03	4.47	-38.09
O=C1[N-]N=NN1C1=CC=C(C2=CSC(C(F)(F)F)=N2)C=C1	REAL300020252734	0	26	-1.0	-39.37	264.39	2.87	-36.50
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(Cl)C=C2CO)C=C1	REAL300020252735	0	31	-1.0	-38.37	282.69	2.47	-35.90
O=C1[N-]N=NN1C1=CC=C(C2=CC(Cl)=C(Cl)C=C2Cl)C=C1	REAL300020252736	0	27	-1.0	-37.03	285.74	6.00	-31.03
CN(C)C1=CC=C(C=CC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252737	0	39	-1.0	-42.09	322.42	6.33	-35.76
CS(=O)(=O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1	REAL300020252738	0	33	-1.0	-47.90	314.50	2.57	-45.33
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300020252739	0	37	-1.0	-41.14	309.13	7.88	-33.26
O=C1[N-]N=NN1C1=CC=C(C2=CC=NC(C(F)(F)F)=C2)C=C1	REAL300020252740	0	29	-1.0	-40.89	270.71	3.82	-37.07
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C(F)(F)F)N=C2)C=C1	REAL300020252741	0	29	-1.0	-39.41	270.52	3.80	-35.61
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2OCC2=CC=CC=C2)C=C1	REAL300020252742	0	41	-1.0	-42.74	350.79	8.09	-34.65
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCC3=CC=CC=C3)C=C2F)C=C1	REAL300020252743	0	41	-1.0	-42.06	357.58	7.99	-34.07
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C(F)(F)F)C=C2F)C=C1	REAL300020252744	0	30	-1.0	-38.02	285.06	5.69	-32.33
CCOC1=CC(F)=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252745	0	34	-1.0	-40.68	297.30	5.11	-35.57
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C3=CC=CC=C3)C=C2F)C=C1	REAL300020252746	0	37	-1.0	-42.29	320.45	8.10	-34.19
CC1=CC(C(F)(F)F)=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252747	0	33	-1.0	-37.70	297.35	6.20	-31.50
COC1=CC(C(F)(F)F)=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252748	0	34	-1.0	-39.32	308.04	5.12	-34.20
COC1=CC(OC(F)(F)F)=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252749	0	35	-1.0	-39.50	314.94	3.92	-35.58
O=C1[N-]N=NN1C1=CC=C(C2=C(F)C=C(OCC3=CC=CC=C3)C=C2F)C=C1	REAL300020252750	0	41	-1.0	-41.22	365.03	8.07	-33.15
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(OCC3=CC=CC=C3)=C2)C=C1	REAL300020252751	0	41	-1.0	-43.05	346.27	7.74	-35.31
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(Cl)C(C(F)(F)F)=C2)C=C1	REAL300020252752	0	30	-1.0	-40.10	286.86	5.89	-34.21
CS(=O)(=O)NC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252753	0	35	-1.0	-48.31	312.06	1.09	-47.22
COC1=CC=C(CSC)C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252754	0	38	-1.0	-42.71	335.18	6.00	-36.71
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(Cl)C(F)=C2F)C=C1	REAL300020252755	0	27	-1.0	-41.44	268.81	5.25	-36.19
O=C1[N-]N=NN1C1=CC=C(C2=CC(Cl)=C(Cl)S2)C=C1	REAL300020252756	0	24	-1.0	-35.87	261.29	4.76	-31.11
O=C1[N-]N=NN1C1=CC=C(C2=CC(Cl)=CC=C2C2CC2)C=C1	REAL300020252757	0	34	-1.0	-38.36	301.84	7.01	-31.35
CNC(=O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1	REAL300020252758	0	34	-1.0	-42.95	310.17	3.32	-39.63
CN(C)C(=O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1	REAL300020252759	0	37	-1.0	-45.82	325.92	4.87	-40.95
CS(=O)(=O)NC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252760	0	35	-1.0	-48.31	312.06	1.09	-47.22
CC(C)(C)OC(=O)NCC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252761	0	47	-1.0	-43.71	382.93	4.91	-38.80
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC3=CC=C(C(F)(F)F)C=C3)C=C2)C=C1	REAL300020252762	0	41	-1.0	-40.42	362.41	8.32	-32.10
CC(C)(C)OC(=O)NC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020252763	0	43	-1.0	-45.70	353.26	4.41	-41.29
CC(C)(C)OC(=O)NC1=CC=NC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252764	0	43	-1.0	-39.95	354.96	3.68	-36.27
O=C1[N-]N=NN1C1=CC=C(C2=CC(Cl)=C(Cl)C(Cl)=C2)C=C1	REAL300020252765	0	27	-1.0	-37.04	282.07	5.91	-31.13
COC(=O)C1=CC=C(C)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252766	0	36	-1.0	-44.07	312.98	5.83	-38.24
COC1=NC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(F)(F)F	REAL300020252767	0	33	-1.0	-40.53	299.83	2.26	-38.27
O=C1[N-]N=NN1C1=CC=C(C2=CC(C3=CC=CC=C3)=CO2)C=C1	REAL300020252768	0	34	-1.0	-40.81	298.52	6.34	-34.47
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C3CC3)C=C2Cl)C=C1	REAL300020252769	0	34	-1.0	-40.38	303.04	7.13	-33.25
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(Cl)C(Cl)=C2F)C=C1	REAL300020252770	0	27	-1.0	-40.59	277.68	5.66	-34.93
O=C1[N-]N=NN1C1=CC=C(C2=CC(Cl)=C(Cl)C=C2Cl)C=C1	REAL300020252771	0	27	-1.0	-37.03	285.74	6.00	-31.03
COC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(Cl)=C1F	REAL300020252772	0	31	-1.0	-43.53	288.96	4.38	-39.15
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(Cl)C(Cl)=C2Cl)C=C1	REAL300020252773	0	27	-1.0	-39.62	284.17	5.95	-33.67
O=C1[N-]N=NN1C1=CC=C(C2=CCC3(CC2)OCCO3)C=C1	REAL300020252774	0	37	-1.0	-40.52	304.78	3.84	-36.68
CN(C)C1=NC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300020252775	0	34	-1.0	-38.95	303.26	3.69	-35.26
O=C1[N-]N=NN1C1=CC=C(C2=C(F)N(C3=CC=CC=C3)N=C2)C=C1	REAL300020252776	0	34	-1.0	-42.60	308.33	5.91	-36.69
CC(C)(C)OC(=O)NC1CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020252777	0	48	-1.0	-43.29	384.27	4.78	-38.51
COC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C2CC2)C=C1Cl	REAL300020252778	0	38	-1.0	-38.50	330.55	6.34	-32.16
CC1=CC=CC2=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=CN=C12	REAL300020252779	0	35	-1.0	-41.67	296.45	5.67	-36.00
CCC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)N1C(=O)OC(C)(C)C	REAL300020252780	0	46	-1.0	-45.90	367.24	6.77	-39.13
N#CC1=C(Cl)C=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1F	REAL300020252781	0	28	-1.0	-44.14	282.07	5.46	-38.68
C=CCCCOC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252782	0	41	-1.0	-41.55	342.17	6.83	-34.72
C=CCCOC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252783	0	38	-1.0	-41.35	320.67	6.05	-35.30
CC1=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C2=NC=CC=C2C=C1	REAL300020252784	0	35	-1.0	-45.06	298.80	5.69	-39.37
COC1=NSC(OC)=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252785	0	31	-1.0	-41.74	291.38	0.04	-41.70
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCCC[NH+]3CCCC3)C=C2)C=C1	REAL300020252786	0	50	0.0	-68.75	390.14	7.87	-60.88
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C(F)(F)F)C(Cl)=C2)C=C1	REAL300020252787	0	30	-1.0	-39.28	286.85	5.89	-33.39
O=C1[N-]N=NN1C1=CC=C(C2=CC(C(F)(F)F)=CC=C2Cl)C=C1	REAL300020252788	0	30	-1.0	-38.47	292.57	6.03	-32.44
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C=C1	REAL300020252789	0	33	-1.0	-38.69	306.18	6.34	-32.35
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C[NH+]3CCCC3)=C2)C=C1	REAL300020252790	0	43	0.0	-63.78	337.58	7.46	-56.32
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300020252791	0	37	-1.0	-41.89	309.20	7.89	-34.00
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252792	0	47	-1.0	-42.88	382.60	3.45	-39.43
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C=C1	REAL300020252793	0	37	-1.0	-42.71	323.57	7.29	-35.42
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(CBr)C=C2)C=C1	REAL300020252794	0	30	-1.0	-40.38	278.23	5.86	-34.52
O=C1[N-]N=NN1C1=CC=C(C2=CC(F)=C(F)C=C2Cl)C=C1	REAL300020252795	0	27	-1.0	-36.82	266.52	5.15	-31.67
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3NC(=O)C(=O)C3=C2)C=C1	REAL300020252796	0	31	-1.0	-47.83	279.88	1.95	-45.88
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3C(=O)C(=O)NC3=C2)C=C1	REAL300020252797	0	31	-1.0	-43.11	279.61	1.95	-41.16
O=C1[N-]N=NN1C1=CC=C(C2=CC=NN2C2=CC=CC=C2)C=C1	REAL300020252798	0	34	-1.0	-40.82	293.08	5.28	-35.54
O=C1[N-]N=NN1C1=CC=C(C2=CN=CC(OCCC[NH+]3CCCC3)=C2)C=C1	REAL300020252799	0	49	0.0	-66.81	386.87	6.18	-60.63
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C(F)C(F)(F)F)=C2)C=C1	REAL300020252800	0	33	-1.0	-40.27	299.21	6.24	-34.03
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C=C1	REAL300020252801	0	33	-1.0	-40.81	306.19	6.34	-34.47
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C(F)C(F)(F)F)C=C2)C=C1	REAL300020252802	0	33	-1.0	-41.85	299.19	6.25	-35.60
CS(=O)(=O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252803	0	33	-1.0	-46.97	295.69	2.00	-44.97
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(CN3CCOCC3)=C2)C=C1	REAL300020252804	0	43	-1.0	-41.36	343.89	3.55	-37.81
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C[NH+]3CCOCC3)=C2)C=C1	REAL300020252804	1	44	0.0	-66.95	346.29	5.82	-61.13
COC1=CC(Cl)=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1Cl	REAL300020252805	0	31	-1.0	-38.85	299.28	4.88	-33.97
COC(=O)C1=CC([N+](=O)[O-])=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300020252806	0	38	-1.0	-39.84	336.14	6.40	-33.44
COC1=CC=C(Cl)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252807	0	31	-1.0	-40.29	283.30	4.33	-35.96
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3OCOC3=C2F)C=C1	REAL300020252808	0	30	-1.0	-41.75	272.40	3.35	-38.40
CC(C)(C)OC(=O)NCC1=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)SC=C1	REAL300020252809	0	44	-1.0	-44.02	374.95	4.03	-39.99
CC1=CC(Cl)=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C	REAL300020252810	0	33	-1.0	-39.42	292.20	6.23	-33.19
CCN1N=CC(NC(=O)C(F)(F)F)=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252811	0	37	-1.0	-36.86	333.07	2.39	-34.47
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(N3CC[C@@H](O)C3)N=C2)C=C1	REAL300020252812	0	39	-1.0	-42.44	319.37	1.11	-41.33
O=C1[N-]N=NN1C1=CC=C(C2=CC3=NC=CN=C3C=C2Cl)C=C1	REAL300020252813	0	31	-1.0	-42.19	289.71	3.46	-38.73
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252814	0	47	-1.0	-41.31	384.57	2.36	-38.95
CCN1N=CC(NC(=O)OC(C)(C)C)=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252815	0	47	-1.0	-38.29	379.59	3.31	-34.98
CC1=NC2=CC=CC=C2C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252816	0	35	-1.0	-40.15	299.16	5.46	-34.69
O=C1[N-]N=NN1C1=CC=C(C2=CC(F)=CC(OC(F)F)=C2)C=C1	REAL300020252817	0	31	-1.0	-40.36	280.66	4.11	-36.25
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC(F)(F)C(F)(F)F)C=C2)C=C1	REAL300020252818	0	34	-1.0	-38.80	315.09	5.33	-33.47
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C3=CNN=C3)C=C2)C=C1	REAL300020252819	0	34	-1.0	-44.08	292.08	4.45	-39.63
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC3=C2OC2=C3C=CC=C2)C=C1	REAL300020252820	0	36	-1.0	-47.08	315.86	7.42	-39.66
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1	REAL300020252821	0	38	-1.0	-40.84	323.69	7.32	-33.52
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(F)C(OC(F)(F)F)=C2)C=C1	REAL300020252822	0	31	-1.0	-40.64	287.22	4.33	-36.31
COC(=O)C1=CC(F)=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252823	0	33	-1.0	-41.49	296.20	5.19	-36.30
CC(C)(C)OC(=O)NCC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252824	0	47	-1.0	-42.53	382.92	4.92	-37.61
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3C=COC3=C2Cl)C=C1	REAL300020252825	0	30	-1.0	-43.72	281.00	5.36	-38.36
O=C1[N-]N=NN1C1=CC=C(C=CC2=CC=C(F)C(F)=C2)C=C1	REAL300020252826	0	31	-1.0	-41.43	282.73	6.02	-35.41
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3NC(=O)COCC3=C2)C=C1	REAL300020252827	0	36	-1.0	-43.68	301.84	2.42	-41.26
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C(F)(F)F)N=C2Cl)C=C1	REAL300020252828	0	29	-1.0	-38.90	289.38	4.29	-34.61
CC1=CC2=NC=CN=C2C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252829	0	34	-1.0	-42.37	292.69	3.55	-38.82
COC(=O)C1=CC(N)=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C	REAL300020252831	0	38	-1.0	-43.28	321.37	3.53	-39.75
O=C1[N-]N=NN1C1=CC=C(C2=C(Cl)C=C3OC=CC3=C2)C=C1	REAL300020252832	0	30	-1.0	-40.37	281.12	5.37	-35.00
COC(F)(F)C(F)(F)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252833	0	37	-1.0	-40.14	331.17	5.22	-34.92
CN1N=C(C2=CC=CC=C2)C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252834	0	37	-1.0	-40.82	315.50	5.57	-35.25
COC(=O)C1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C(C)C=N1	REAL300020252835	0	35	-1.0	-41.17	308.02	3.99	-37.18
O=C1[N-]N=NN1C1=CC=C(C2=CC(Br)=CN=C2F)C=C1	REAL300020252836	0	26	-1.0	-37.85	262.63	3.43	-34.42
O=C1[N-]N=NN1C1=CC=C(C2=CC(F)=C(F)C=C2CO)C=C1	REAL300020252837	0	31	-1.0	-37.75	278.65	2.08	-35.67
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(SC(F)(F)F)=C2)C=C1	REAL300020252838	0	31	-1.0	-39.14	291.39	5.93	-33.21
CC(C)(C)OC(=O)NCC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020252839	0	44	-1.0	-40.58	368.95	3.38	-37.20
N#CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C1CC1	REAL300020252840	0	35	-1.0	-40.56	302.95	6.79	-33.77
CC1=CN(C2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)N=C1	REAL300020252841	0	37	-1.0	-47.51	315.23	6.33	-41.18
COC(=O)C(F)(F)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252842	0	36	-1.0	-41.44	322.20	6.02	-35.42
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(Cl)=C2CO)C=C1	REAL300020252843	0	31	-1.0	-39.13	282.12	2.42	-36.71
CC1=CC(F)=CC(CO)=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252844	0	34	-1.0	-38.23	293.30	2.63	-35.60
O=C1[N-]N=NN1C1=CC=C(C2=CC(Cl)=CC(Cl)=C2)C=C1	REAL300020252845	0	27	-1.0	-37.36	268.48	5.49	-31.87
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(N3C=CC=N3)=C2)C=C1	REAL300020252846	0	34	-1.0	-47.80	293.35	5.66	-42.14
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(N3C=CC=N3)C=C2)C=C1	REAL300020252847	0	34	-1.0	-44.52	293.30	5.68	-38.84
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(N3C=NN=N3)=C2)C=C1	REAL300020252848	0	32	-1.0	-51.67	283.33	4.63	-47.04
CC1=CC=C(OCC2=CC=CC=C2Cl)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252849	0	44	-1.0	-41.73	385.36	9.35	-32.38
N#CC1=CC(C(F)(F)F)=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252850	0	31	-1.0	-44.63	297.79	5.78	-38.85
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C3OCC3(F)F)C=C2)C=C1	REAL300020252851	0	35	-1.0	-42.20	306.29	4.85	-37.35
CN1CCOC(C2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)C1	REAL300020252852	0	43	-1.0	-40.74	346.49	3.66	-37.08
C[N@@H+]1CCOC(C2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)C1	REAL300020252852	1	44	0.0	-66.67	342.39	5.65	-61.02
C[N@H+]1CCOC(C2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)C1	REAL300020252852	1	44	0.0	-66.11	349.63	6.07	-60.04
O=C1[N-]N=NN1C1=CC=C(C2=CC(Cl)=CC=C2CO)C=C1	REAL300020252853	0	31	-1.0	-37.74	282.66	2.48	-35.26
CC(C)OC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300020252854	0	37	-1.0	-42.46	310.46	5.39	-37.07
CC1=CC=C(NS(C)(=O)=O)C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252855	0	38	-1.0	-44.29	331.59	1.91	-42.38
CC1=NN(C)C(Cl)=C1C=CC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252856	0	34	-1.0	-41.51	312.28	4.73	-36.78
CNS(=O)(=O)NC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252857	0	37	-1.0	-47.39	324.21	-0.01	-47.40
CCN(CC)C1=NC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020252858	0	39	-1.0	-41.89	325.05	6.93	-34.96
CN1CC[NH+](CC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)CC1	REAL300020252859	0	48	0.0	-65.18	371.48	5.67	-59.51
C[NH+]1CCN(CC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)CC1	REAL300020252859	1	48	0.0	-61.36	372.00	5.79	-55.57
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(F)C(C(F)(F)F)=C2)C=C1	REAL300020252860	0	30	-1.0	-40.67	279.30	5.53	-35.14
O=C1[N-]N=NN1C1=CC=C(C2=CC3=CC=C(Cl)C=C3C=C2)C=C1	REAL300020252861	0	33	-1.0	-40.08	297.77	7.23	-32.85
CN1C(=O)CCC2=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300020252862	0	38	-1.0	-43.48	311.65	5.38	-38.10
CN1N=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1C(F)(F)F	REAL300020252863	0	30	-1.0	-40.77	275.68	3.07	-37.70
COC(=O)C(=O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252864	0	35	-1.0	-40.66	308.64	5.39	-35.27
CC1(C)CC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2O1	REAL300020252865	0	38	-1.0	-43.96	318.70	5.99	-37.97
COC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=C1F	REAL300020252866	0	34	-1.0	-40.19	292.73	4.53	-35.66
NS(=O)(=O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C(F)(F)F	REAL300020252867	0	35	-1.0	-44.41	313.35	0.72	-43.69
O=C1[N-]N=NN1C1=CC=C(C2=C(Cl)SC(Cl)=C2)C=C1	REAL300020252868	0	24	-1.0	-36.29	262.89	4.78	-31.51
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(CC(F)(F)F)C=C2)C=C1	REAL300020252869	0	33	-1.0	-41.56	296.01	6.26	-35.30
CC1=CC(NC(=O)OC(C)(C)C)=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252870	0	47	-1.0	-41.95	378.22	5.38	-36.57
O=C1[N-]N=NN1C1=CC=C(C2=CC3=CC=CC(F)=C3S2)C=C1	REAL300020252871	0	30	-1.0	-40.24	281.42	6.17	-34.07
CC1=CC=C2C=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)SC2=C1	REAL300020252872	0	33	-1.0	-39.40	296.39	6.75	-32.65
CCN(CC)C1=NC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020252873	0	39	-1.0	-41.89	325.05	6.93	-34.96
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)C=C1	REAL300020252874	0	33	-1.0	-41.74	315.46	2.60	-39.14
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(S(=O)(=O)C(F)(F)F)=C2)C=C1	REAL300020252875	0	33	-1.0	-44.47	315.48	2.59	-41.88
CC(F)(F)C1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252876	0	33	-1.0	-41.31	288.23	6.00	-35.31
CC(F)(F)C1=CC=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252877	0	33	-1.0	-45.64	283.05	5.79	-39.85
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(N3C=CC=N3)C=C2)C=C1	REAL300020252878	0	34	-1.0	-44.52	293.30	5.68	-38.84
O=C1[N-]N=NN1C1=CC=C(C2=CNN=C2C2=CC=CC=N2)C=C1	REAL300020252879	0	33	-1.0	-46.88	294.23	3.31	-43.57
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(CC3=NN=CO3)C=C2)C=C1	REAL300020252880	0	35	-1.0	-46.26	307.94	1.11	-45.15
CC1=NN=C(CC2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)O1	REAL300020252881	0	38	-1.0	-45.94	329.93	1.85	-44.09
CC1=NN=C(CC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)O1	REAL300020252882	0	38	-1.0	-48.88	329.94	1.84	-47.04
CC1=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C2=CC=CC=C2)=NO1	REAL300020252883	0	36	-1.0	-40.14	319.21	6.52	-33.62
COC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC([N+](=O)[O-])=C1	REAL300020252884	0	33	-1.0	-39.69	292.69	4.43	-35.26
COCC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Cl	REAL300020252885	0	34	-1.0	-40.34	303.21	4.85	-35.49
CC1=CN(C2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)N=C1	REAL300020252886	0	37	-1.0	-44.16	315.17	6.35	-37.81
CC1=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=CC2=CC=CC=C21	REAL300020252887	0	36	-1.0	-40.24	300.92	7.33	-32.91
COC1=CC(NC(=O)OC(C)(C)C)=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252888	0	48	-1.0	-44.38	391.02	4.36	-40.02
CC1=CC=NC2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C12	REAL300020252889	0	35	-1.0	-42.11	294.05	5.40	-36.71
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3CCOC(=O)C3=C2)C=C1	REAL300020252890	0	34	-1.0	-49.82	290.78	5.40	-44.42
CC1=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(C2=CC=C(F)C=C2)=NO1	REAL300020252891	0	36	-1.0	-39.29	325.61	6.58	-32.71
O=C1[N-]N=NN1C1=CC=C(C2=CC=C3NCCOCC3=C2)C=C1	REAL300020252892	0	37	-1.0	-41.85	301.89	2.86	-38.99
O=C1[N-]N=NN1C1=CC=C(C2=CC3=CC=C(Cl)C=C3O2)C=C1	REAL300020252893	0	30	-1.0	-37.93	284.06	5.66	-32.27
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C[NH2+]C3CC3)=C2)C=C1	REAL300020252894	0	40	0.0	-66.74	329.25	5.93	-60.81
CN1N=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(Br)=C1C(F)(F)F	REAL300020252895	0	30	-1.0	-37.98	294.15	3.53	-34.45
CS(=O)(=O)C1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252896	0	33	-1.0	-48.71	295.71	2.00	-46.71
O=C1[N-]N=NN1C1=CC=C(C2=CC3=C(F)C=CC=C3S2)C=C1	REAL300020252897	0	30	-1.0	-40.45	281.43	6.14	-34.31
CCC1=CNC2=NC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C12	REAL300020252898	0	36	-1.0	-43.33	304.84	5.20	-38.13
CC1=CC(C(F)(F)F)=NC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252899	0	32	-1.0	-38.05	290.94	4.37	-33.68
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(F)C([N+](=O)[O-])=C2)C=C1	REAL300020252900	0	29	-1.0	-44.88	267.72	5.16	-39.72
O=C1[N-]N=NN1C1=CC=C(C2=CC=C([N+](=O)[O-])C(F)=C2)C=C1	REAL300020252901	0	29	-1.0	-40.61	267.72	5.16	-35.45
CC(C)(C)OC(=O)N1[C@@H](C=CC2=CC=C(N3N=N[N-]C3=O)C=C2)COC1(C)C	REAL300020252902	0	52	-1.0	-42.17	409.83	4.86	-37.31
CCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(F)=C1	REAL300020252903	0	34	-1.0	-41.95	297.68	4.93	-37.02
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC(F)F)C=C2)C=C1	REAL300020252904	0	31	-1.0	-41.92	274.23	4.04	-37.88
COC(=O)C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(O)=C1	REAL300020252905	0	34	-1.0	-43.23	305.22	2.62	-40.61
CC(C)(C)OC(=O)NC1=NC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300020252906	0	40	-1.0	-43.95	347.08	3.58	-40.37
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OC(F)F)C=C2)C=C1	REAL300020252907	0	31	-1.0	-41.92	274.23	4.04	-37.88
CC(C)(C)C1=CC(O)=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252908	0	40	-1.0	-40.18	322.18	3.93	-36.25
CC(C)(C)OC(=O)NCC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300020252909	0	44	-1.0	-40.74	376.55	4.27	-36.47
CC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C(Cl)C=C1C1CC1	REAL300020252910	0	37	-1.0	-39.14	320.81	7.64	-31.50
CC1=CC(OCC2CC2)=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252911	0	41	-1.0	-39.32	341.24	7.00	-32.32
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C(F)C(F)(F)F)=C2)C=C1	REAL300020252912	0	33	-1.0	-40.27	299.21	6.24	-34.03
CC(C)(C)OC(=O)N1CCN2N=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2C1	REAL300020252913	0	48	-1.0	-46.60	386.42	4.77	-41.83
O=C1[N-]N=NN1C1=CC=C(C2=CC=NC(C(F)(F)F)=C2)C=C1	REAL300020252914	0	29	-1.0	-40.89	270.71	3.82	-37.07
CN1CCOCC2=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300020252915	0	40	-1.0	-41.34	310.10	2.80	-38.54
O=C([O-])C1=CC=C(CO)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252916	0	33	-2.0	-90.64	294.35	2.52	-88.12
O=C1[N-]N=NN1C1=CC=C(C2=CC3=CC=CC(F)=C3N=C2)C=C1	REAL300020252917	0	32	-1.0	-43.35	282.59	4.93	-38.42
O=C([O-])CC(O)C1=CC=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252918	0	36	-2.0	-104.64	314.20	4.05	-100.59
O=C([O-])C1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1F	REAL300020252919	0	29	-2.0	-98.92	267.99	5.05	-93.87
O=C([O-])C1=CC=C(CO)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252920	0	33	-2.0	-90.64	294.35	2.52	-88.12
O=C([O-])C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C(CO)=C1	REAL300020252921	0	33	-2.0	-91.54	294.16	2.52	-89.02
O=C([O-])C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C([N+](=O)[O-])=C1	REAL300020252922	0	31	-2.0	-86.73	294.97	5.81	-80.92
O=C([O-])C1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Cl	REAL300020252923	0	29	-2.0	-95.25	275.95	5.42	-89.83
O=C([O-])CCC1=CC=CC(CO)=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252924	0	39	-2.0	-101.44	336.88	4.00	-97.44
CN1CCN(CC[NH+]2CCCCC2)C1=[NH+]C1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020252925	0	56	1.0	-99.94	425.40	10.97	-88.97
CN1CCN(CC[NH+]2CCCCC2)C1=[NH+]C1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020252925	1	56	1.0	-99.97	425.35	10.94	-89.03
CSCC[C@H]([NH+]=C1N(C)CCN1CC[NH+]1CCCCC1)C1=NN=N[N-]1	REAL300020252926	0	56	1.0	-74.77	418.79	9.60	-65.17
CSCC[C@H]([NH+]=C1N(C)CCN1CC[NH+]1CCCCC1)C1=N[N-]N=N1	REAL300020252926	1	56	1.0	-74.70	418.73	9.60	-65.10
CN1CC[N+](CC[NH+]2CCCCC2)=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020252927	0	56	1.0	-100.90	390.49	9.62	-91.28
CN1CC[N+](CCN2CCCCC2)=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020252927	1	55	0.0	-45.29	393.28	7.38	-37.91
CN1CC[N+](CCN2CCCCC2)=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020252927	1	55	0.0	-45.36	393.34	7.39	-37.97
CN1CCN(CC[NH+]2CCCC2)C1=[NH+]C1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020252928	0	53	1.0	-91.69	403.40	10.40	-81.29
CN1CCN(CC[NH+]2CCCC2)C1=[NH+]C1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020252928	1	53	1.0	-91.64	403.35	10.38	-81.26
CSCC[C@H]([NH+]=C1N(C)CCN1CC[NH+]1CCCC1)C1=NN=N[N-]1	REAL300020252929	0	53	1.0	-74.42	403.10	8.92	-65.50
CSCC[C@H]([NH+]=C1N(C)CCN1CC[NH+]1CCCC1)C1=N[N-]N=N1	REAL300020252929	1	53	1.0	-74.41	403.05	8.92	-65.49
CN1CCN(CC[NH+]2CCCC2)C1=[N+]1CCC(C2=N[N-]N=N2)CC1	REAL300020252930	0	53	1.0	-100.68	387.26	9.46	-91.22
CN1CCN(CC[NH+]2CCCC2)C1=[N+]1CCC(C2=NN=N[N-]2)CC1	REAL300020252930	1	53	1.0	-100.65	387.32	9.47	-91.18
C1=CC=C(CN2CCN(C3CC3)C2=[NH+]C2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020252931	0	51	0.0	-48.68	411.68	11.92	-36.76
C1=CC=C(CN2CCN(C3CC3)C2=[NH+]C2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020252931	1	51	0.0	-48.68	411.63	11.89	-36.79
CSCC[C@H]([NH+]=C1N(CC2=CC=CC=C2)CCN1C1CC1)C1=NN=N[N-]1	REAL300020252932	0	51	0.0	-32.09	398.51	10.08	-22.01
CSCC[C@H]([NH+]=C1N(CC2=CC=CC=C2)CCN1C1CC1)C1=N[N-]N=N1	REAL300020252932	1	51	0.0	-32.06	398.45	10.07	-21.99
C1=CC=C(C[N+]2=C(N3CCC(C4=N[N-]N=N4)CC3)N(C3CC3)CC2)C=C1	REAL300020252933	0	51	0.0	-46.35	384.72	11.32	-35.03
C1=CC=C(C[N+]2=C(N3CCC(C4=NN=N[N-]4)CC3)N(C3CC3)CC2)C=C1	REAL300020252933	1	51	0.0	-46.37	384.78	11.34	-35.03
CN1C[C@@H]2CCCCN2C1=[NH+]C1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020252934	0	44	0.0	-42.80	335.89	8.83	-33.97
CN1C[C@@H]2CCCCN2C1=[NH+]C1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020252934	1	44	0.0	-42.80	335.84	8.80	-34.00
CSCC[C@H]([NH+]=C1N(C)C[C@@H]2CCCCN12)C1=NN=N[N-]1	REAL300020252935	0	44	0.0	-32.76	339.95	7.36	-25.40
CSCC[C@H]([NH+]=C1N(C)C[C@@H]2CCCCN12)C1=N[N-]N=N1	REAL300020252935	1	44	0.0	-32.77	339.89	7.33	-25.44
CN1C[C@H]2CCCCN2C1=[NH+]C1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020252936	0	44	0.0	-42.62	335.69	8.82	-33.80
CN1C[C@H]2CCCCN2C1=[NH+]C1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020252936	1	44	0.0	-42.61	335.63	8.80	-33.81
CSCC[C@H]([NH+]=C1N(C)C[C@H]2CCCCN12)C1=NN=N[N-]1	REAL300020252937	0	44	0.0	-32.14	342.36	7.32	-24.82
CSCC[C@H]([NH+]=C1N(C)C[C@H]2CCCCN12)C1=N[N-]N=N1	REAL300020252937	1	44	0.0	-32.09	342.30	7.30	-24.79
CN1CCN(CC(F)(F)F)C1=[NH+]C1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020252938	0	40	0.0	-48.75	337.53	8.19	-40.56
CN1CCN(CC(F)(F)F)C1=[NH+]C1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020252938	1	40	0.0	-48.74	337.47	8.17	-40.57
CSCC[C@H]([NH+]=C1N(C)CCN1CC(F)(F)F)C1=NN=N[N-]1	REAL300020252939	0	40	0.0	-29.61	332.05	6.13	-23.48
CSCC[C@H]([NH+]=C1N(C)CCN1CC(F)(F)F)C1=N[N-]N=N1	REAL300020252939	1	40	0.0	-29.57	332.00	6.12	-23.45
CN1CCN(CC(F)(F)F)C1=[N+]1CCC(C2=N[N-]N=N2)CC1	REAL300020252940	0	40	0.0	-47.17	315.19	6.92	-40.25
CN1CCN(CC(F)(F)F)C1=[N+]1CCC(C2=NN=N[N-]2)CC1	REAL300020252940	1	40	0.0	-47.21	315.25	6.93	-40.28
CN1C(=[NH+]C2=CC=CC(CC3=NN=N[N-]3)=C2)N(C)[C@@H]2CCCC[C@H]21	REAL300020252941	0	47	0.0	-39.41	356.91	9.29	-30.12
CN1C(=[NH+]C2=CC=CC(CC3=N[N-]N=N3)=C2)N(C)[C@@H]2CCCC[C@H]21	REAL300020252941	1	47	0.0	-39.39	356.85	9.26	-30.13
CSCC[C@H]([NH+]=C1N(C)[C@@H]2CCCC[C@H]2N1C)C1=NN=N[N-]1	REAL300020252942	0	47	0.0	-29.78	361.16	7.56	-22.22
CSCC[C@H]([NH+]=C1N(C)[C@@H]2CCCC[C@H]2N1C)C1=N[N-]N=N1	REAL300020252942	1	47	0.0	-29.78	361.11	7.53	-22.25
CN1C(=[N+]2CCC(C3=N[N-]N=N3)CC2)N(C)[C@@H]2CCCC[C@H]21	REAL300020252943	0	47	0.0	-41.63	335.77	7.60	-34.03
CN1C(=[N+]2CCC(C3=NN=N[N-]3)CC2)N(C)[C@@H]2CCCC[C@H]21	REAL300020252943	1	47	0.0	-41.66	335.83	7.61	-34.05
C1=CC=C(CN2CC[NH+]=C2NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020252944	0	44	0.0	-48.61	359.11	10.05	-38.56
C1=CC=C(CN2CC[NH+]=C2NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020252944	1	44	0.0	-48.61	359.06	10.03	-38.58
CSCC[C@H](NC1=[NH+]CCN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020252945	0	44	0.0	-33.72	366.96	8.36	-25.36
CSCC[C@H](NC1=[NH+]CCN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020252945	1	44	0.0	-33.67	366.90	8.34	-25.33
C1=CC=C(CN2CC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020252946	0	44	0.0	-48.24	341.16	8.15	-40.09
C1=CC=C(CN2CC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020252946	1	44	0.0	-48.19	341.10	8.14	-40.05
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CCCN2C2CCCCC2)=C1	REAL300020252947	0	50	0.0	-48.18	370.83	9.93	-38.25
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CCCN2C2CCCCC2)=C1	REAL300020252947	1	50	0.0	-48.19	370.78	9.91	-38.28
CSCC[C@H](NC1=[NH+]CCCN1C1CCCCC1)C1=NN=N[N-]1	REAL300020252948	0	50	0.0	-32.88	383.07	8.63	-24.25
CSCC[C@H](NC1=[NH+]CCCN1C1CCCCC1)C1=N[N-]N=N1	REAL300020252948	1	50	0.0	-32.87	383.00	8.60	-24.27
C1CCC(N2CCC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020252949	0	50	0.0	-44.32	352.87	8.40	-35.92
C1CCC(N2CCC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020252949	1	50	0.0	-44.33	352.81	8.39	-35.94
CC1CC(C)(C)C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)NC12	REAL300020252950	0	50	0.0	-45.72	371.84	8.50	-37.22
CC1CC(C)(C)C2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)NC12	REAL300020252950	1	50	0.0	-45.72	371.79	8.48	-37.24
CSCC[C@H](NC1=[NH+]CC2C(N1)C(C)CC2(C)C)C1=NN=N[N-]1	REAL300020252951	0	50	0.0	-32.50	380.92	6.65	-25.85
CSCC[C@H](NC1=[NH+]CC2C(N1)C(C)CC2(C)C)C1=N[N-]N=N1	REAL300020252951	1	50	0.0	-32.45	380.86	6.62	-25.83
CC1CC(C)(C)C2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)NC12	REAL300020252952	0	50	0.0	-46.95	362.10	7.03	-39.92
CC1CC(C)(C)C2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)NC12	REAL300020252952	1	50	0.0	-46.88	362.04	7.01	-39.87
C1=CC=C(CC2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)C=C1	REAL300020252953	0	44	0.0	-50.71	358.29	8.57	-42.14
C1=CC=C(CC2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)C=C1	REAL300020252953	1	44	0.0	-50.69	358.23	8.55	-42.14
CSCC[C@H](NC1=[NH+]CC(CC2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020252954	0	44	0.0	-36.46	369.26	6.99	-29.47
CSCC[C@H](NC1=[NH+]CC(CC2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020252954	1	44	0.0	-36.50	369.21	6.97	-29.53
C1=CC=C(CC2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2)C=C1	REAL300020252955	0	44	0.0	-50.84	341.30	7.66	-43.18
C1=CC=C(CC2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2)C=C1	REAL300020252955	1	44	0.0	-50.84	341.24	7.65	-43.19
C1=CC=C(C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)C=C1	REAL300020252956	0	41	0.0	-50.75	338.22	8.05	-42.70
C1=CC=C(C2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)C=C1	REAL300020252956	1	41	0.0	-50.77	338.16	8.03	-42.74
CSCC[C@H](NC1=[NH+]CC(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020252957	0	41	0.0	-34.43	347.67	6.41	-28.02
CSCC[C@H](NC1=[NH+]CC(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020252957	1	41	0.0	-34.42	347.61	6.39	-28.03
C1=CC=C(CCCN2CCC[NH+]=C2NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020252958	0	53	0.0	-40.03	419.07	12.44	-27.59
C1=CC=C(CCCN2CCC[NH+]=C2NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020252958	1	53	0.0	-40.01	419.02	12.41	-27.60
CSCC[C@H](NC1=[NH+]CCCN1CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020252959	0	53	0.0	-33.69	426.88	10.76	-22.93
CSCC[C@H](NC1=[NH+]CCCN1CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020252959	1	53	0.0	-33.67	426.82	10.75	-22.92
C1=CC=C(CCCN2CCC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020252960	0	53	0.0	-47.83	400.97	10.66	-37.17
C1=CC=C(CCCN2CCC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020252960	1	53	0.0	-47.84	400.92	10.64	-37.20
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CC(C3CCCCC3)N2)=C1	REAL300020252961	0	47	0.0	-48.72	356.88	8.23	-40.49
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CC(C3CCCCC3)N2)=C1	REAL300020252961	1	47	0.0	-48.71	356.82	8.21	-40.50
CSCC[C@H](NC1=[NH+]CC(C2CCCCC2)N1)C1=NN=N[N-]1	REAL300020252962	0	47	0.0	-34.05	366.82	6.62	-27.43
CSCC[C@H](NC1=[NH+]CC(C2CCCCC2)N1)C1=N[N-]N=N1	REAL300020252962	1	47	0.0	-34.03	366.77	6.59	-27.44
C1[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)NC1C1CCCCC1	REAL300020252963	0	47	0.0	-48.92	339.17	7.24	-41.68
C1[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)NC1C1CCCCC1	REAL300020252963	1	47	0.0	-48.92	339.11	7.23	-41.69
FC(F)(F)C1CC[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020252964	0	37	0.0	-51.89	315.29	6.30	-45.59
FC(F)(F)C1CCN=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020252964	1	36	-1.0	-40.28	314.10	5.79	-34.49
CSCC[C@H](NC1=[NH+]CCC(C(F)(F)F)N1)C1=NN=N[N-]1	REAL300020252965	0	37	0.0	-36.53	323.94	4.50	-32.03
CSCC[C@H](NC1=[NH+]CCC(C(F)(F)F)N1)C1=N[N-]N=N1	REAL300020252965	1	37	0.0	-36.53	323.89	4.48	-32.05
FC(F)(F)C1CC[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)N1	REAL300020252966	0	37	0.0	-53.25	299.87	4.96	-48.29
FC(F)(F)C1CC[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)N1	REAL300020252966	1	37	0.0	-53.25	299.81	4.95	-48.30
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CC3CCCCC3N2)=C1	REAL300020252967	0	44	0.0	-45.89	338.36	7.61	-38.28
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CC3CCCCC3N2)=C1	REAL300020252967	1	44	0.0	-45.91	338.31	7.58	-38.33
CSCC[C@H](NC1=[NH+]CC2CCCCC2N1)C1=NN=N[N-]1	REAL300020252968	0	44	0.0	-32.59	347.13	5.80	-26.79
CSCC[C@H](NC1=[NH+]CC2CCCCC2N1)C1=N[N-]N=N1	REAL300020252968	1	44	0.0	-32.60	347.07	5.78	-26.82
COC1=CC=C(CN2CC[NH+]=C2NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC)=C1	REAL300020252969	0	52	0.0	-47.50	414.92	8.72	-38.78
COC1=CC=C(CN2CC[NH+]=C2NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC)=C1	REAL300020252969	1	52	0.0	-47.51	414.87	8.70	-38.81
COC1=CC=C(CN2CC[NH+]=C2N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020252970	0	52	0.0	-33.68	424.45	7.06	-26.62
COC1=CC=C(CN2CC[NH+]=C2N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020252970	1	52	0.0	-33.61	424.38	7.04	-26.57
COC1=CC=C(CN2CC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020252971	0	52	0.0	-48.34	395.39	6.83	-41.51
COC1=CC=C(CN2CC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300020252971	1	52	0.0	-48.31	395.33	6.82	-41.49
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CCN2CC[NH+]2CCCCC2)=C1	REAL300020252972	0	53	1.0	-98.59	400.43	10.17	-88.42
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CCN2CC[NH+]2CCCCC2)=C1	REAL300020252972	1	53	1.0	-98.55	400.37	10.15	-88.40
CSCC[C@H](NC1=[NH+]CCN1CC[NH+]1CCCCC1)C1=NN=N[N-]1	REAL300020252973	0	53	1.0	-85.69	409.45	8.49	-77.20
CSCC[C@H](NC1=[NH+]CCN1CC[NH+]1CCCCC1)C1=N[N-]N=N1	REAL300020252973	1	53	1.0	-85.62	409.39	8.46	-77.16
C(C[NH+]1CCCCC1)N1CC[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020252974	0	53	1.0	-103.45	381.93	8.38	-95.07
C(C[NH+]1CCCCC1)N1CC[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020252974	1	53	1.0	-103.44	381.87	8.37	-95.07
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CC3(CCCC3)CN2)=C1	REAL300020252975	0	44	0.0	-43.75	338.24	7.25	-36.50
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CC3(CCCC3)CN2)=C1	REAL300020252975	1	44	0.0	-43.71	338.19	7.23	-36.48
CSCC[C@H](NC1=[NH+]CC2(CCCC2)CN1)C1=NN=N[N-]1	REAL300020252976	0	44	0.0	-35.73	346.41	5.57	-30.16
CSCC[C@H](NC1=[NH+]CC2(CCCC2)CN1)C1=N[N-]N=N1	REAL300020252976	1	44	0.0	-35.72	346.36	5.56	-30.16
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CC3(CCCCC3)CN2)=C1	REAL300020252977	0	47	0.0	-43.36	349.23	7.26	-36.10
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CC3(CCCCC3)CN2)=C1	REAL300020252977	1	47	0.0	-43.34	349.17	7.24	-36.10
CSCC[C@H](NC1=[NH+]CC2(CCCCC2)CN1)C1=NN=N[N-]1	REAL300020252978	0	47	0.0	-32.74	357.43	5.59	-27.15
CSCC[C@H](NC1=[NH+]CC2(CCCCC2)CN1)C1=N[N-]N=N1	REAL300020252978	1	47	0.0	-32.82	357.37	5.57	-27.25
C1CCC2(CC1)CNC(N1CCC(C3=NN=N[N-]3)CC1)=[NH+]C2	REAL300020252979	0	47	0.0	-46.83	332.88	5.98	-40.85
C1CCC2(CC1)CNC(N1CCC(C3=N[N-]N=N3)CC1)=[NH+]C2	REAL300020252979	1	47	0.0	-46.85	332.83	5.96	-40.89
CSCC[C@H]1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020252980	0	41	0.0	-50.39	345.04	6.86	-43.53
CSCC[C@H]1C[NH+]=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020252980	1	41	0.0	-50.44	344.98	6.84	-43.60
CSCC[C@H](NC1=[NH+]C[C@H](CCSC)N1)C1=NN=N[N-]1	REAL300020252981	0	41	0.0	-36.15	353.77	5.25	-30.90
CSCC[C@H](NC1=[NH+]C[C@H](CCSC)N1)C1=N[N-]N=N1	REAL300020252981	1	41	0.0	-36.12	353.72	5.23	-30.89
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CC3CSCCN23)=C1	REAL300020252982	0	39	0.0	-46.86	319.65	7.67	-39.19
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CC3CSCCN23)=C1	REAL300020252982	1	39	0.0	-46.82	319.60	7.65	-39.17
CSCC[C@H](NC1=[NH+]CC2CSCCN12)C1=NN=N[N-]1	REAL300020252983	0	39	0.0	-34.75	329.13	6.03	-28.72
CSCC[C@H](NC1=[NH+]CC2CSCCN12)C1=N[N-]N=N1	REAL300020252983	1	39	0.0	-34.78	329.07	6.01	-28.77
COC1=CC=C(CN2CC[NH+]=C2NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC)=C1	REAL300020252984	0	52	0.0	-47.50	414.92	8.72	-38.78
COC1=CC=C(CN2CC[NH+]=C2NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC)=C1	REAL300020252984	1	52	0.0	-47.51	414.87	8.70	-38.81
COC1=CC=C(CN2CC[NH+]=C2N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020252985	0	52	0.0	-33.68	424.45	7.06	-26.62
COC1=CC=C(CN2CC[NH+]=C2N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020252985	1	52	0.0	-33.61	424.38	7.04	-26.57
COC1=CC=C(CN2CC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020252986	0	52	0.0	-48.34	395.39	6.83	-41.51
COC1=CC=C(CN2CC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300020252986	1	52	0.0	-48.31	395.33	6.82	-41.49
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CCN2CCN2CCOCC2)=C1	REAL300020252987	0	50	0.0	-49.54	389.18	5.49	-44.05
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CCN2CCN2CCOCC2)=C1	REAL300020252987	1	50	0.0	-49.54	389.12	5.47	-44.07
CSCC[C@H](NC1=[NH+]CCN1CCN1CCOCC1)C1=NN=N[N-]1	REAL300020252988	0	50	0.0	-37.81	398.68	3.84	-33.97
CSCC[C@H](NC1=[NH+]CCN1CCN1CCOCC1)C1=N[N-]N=N1	REAL300020252988	1	50	0.0	-37.80	398.62	3.82	-33.98
C(CN1CCOCC1)N1CC[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020252989	0	50	0.0	-49.63	370.74	3.67	-45.96
C(CN1CCOCC1)N1CC[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020252989	1	50	0.0	-49.61	370.68	3.66	-45.95
CN1C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]CC1C1=CC=C(F)C=C1	REAL300020252990	0	44	0.0	-50.33	364.17	10.15	-40.18
CN1C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=[NH+]CC1C1=CC=C(F)C=C1	REAL300020252990	1	44	0.0	-50.38	364.11	10.13	-40.25
CSCC[C@H](NC1=[NH+]CC(C2=CC=C(F)C=C2)N1C)C1=NN=N[N-]1	REAL300020252991	0	44	0.0	-35.96	373.59	8.53	-27.43
CSCC[C@H](NC1=[NH+]CC(C2=CC=C(F)C=C2)N1C)C1=N[N-]N=N1	REAL300020252991	1	44	0.0	-35.94	373.53	8.50	-27.44
CN1C(N2CCC(C3=NN=N[N-]3)CC2)=[NH+]CC1C1=CC=C(F)C=C1	REAL300020252992	0	44	0.0	-52.70	346.41	8.40	-44.30
CN1C(N2CCC(C3=N[N-]N=N3)CC2)=[NH+]CC1C1=CC=C(F)C=C1	REAL300020252992	1	44	0.0	-52.67	346.35	8.39	-44.28
CC(C)(C)OC(=O)N1CCN2C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)=[NH+]CC2C1	REAL300020252993	0	55	0.0	-49.05	422.17	8.60	-40.45
CC(C)(C)OC(=O)N1CCN2C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)=[NH+]CC2C1	REAL300020252993	1	55	0.0	-49.03	422.12	8.58	-40.45
CSCC[C@H](NC1=[NH+]CC2CN(C(=O)OC(C)(C)C)CCN12)C1=NN=N[N-]1	REAL300020252994	0	55	0.0	-38.25	431.45	7.00	-31.25
CSCC[C@H](NC1=[NH+]CC2CN(C(=O)OC(C)(C)C)CCN12)C1=N[N-]N=N1	REAL300020252994	1	55	0.0	-38.15	431.40	6.98	-31.17
CC(C)(C)OC(=O)N1CCN2C(N3CCC(C4=NN=N[N-]4)CC3)=[NH+]CC2C1	REAL300020252995	0	55	0.0	-52.10	404.41	6.89	-45.21
CC(C)(C)OC(=O)N1CCN2C(N3CCC(C4=N[N-]N=N4)CC3)=[NH+]CC2C1	REAL300020252995	1	55	0.0	-52.08	404.35	6.87	-45.21
C1=CC=C(C2CC[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)C=C1	REAL300020252996	0	44	0.0	-48.92	355.39	9.05	-39.87
C1=CC=C(C2CC[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)C=C1	REAL300020252996	1	44	0.0	-48.97	355.34	9.03	-39.94
CSCC[C@H](NC1=[NH+]CCC(C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020252997	0	44	0.0	-34.35	364.34	7.23	-27.12
CSCC[C@H](NC1=[NH+]CCC(C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020252997	1	44	0.0	-34.35	364.28	7.22	-27.13
C1=CC=C(C2CC[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2)C=C1	REAL300020252998	0	44	0.0	-49.94	340.16	7.70	-42.24
C1=CC=C(C2CC[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2)C=C1	REAL300020252998	1	44	0.0	-49.91	340.11	7.69	-42.22
CC(C)(C)OC(=O)NC1CNC(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]C1	REAL300020252999	0	51	0.0	-50.17	402.11	4.92	-45.25
CC(C)(C)OC(=O)NC1CNC(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=[NH+]C1	REAL300020252999	1	51	0.0	-50.14	402.05	4.89	-45.25
CSCC[C@H](NC1=[NH+]CC(NC(=O)OC(C)(C)C)CN1)C1=NN=N[N-]1	REAL300020253000	0	51	0.0	-43.03	410.32	3.24	-39.79
CSCC[C@H](NC1=[NH+]CC(NC(=O)OC(C)(C)C)CN1)C1=N[N-]N=N1	REAL300020253000	1	51	0.0	-43.06	410.26	3.22	-39.84
CC(C)(C)OC(=O)NC1CNC(N2CCC(C3=NN=N[N-]3)CC2)=[NH+]C1	REAL300020253001	0	51	0.0	-51.39	385.81	3.65	-47.74
CC(C)(C)OC(=O)NC1CNC(N2CCC(C3=N[N-]N=N3)CC2)=[NH+]C1	REAL300020253001	1	51	0.0	-51.33	385.75	3.64	-47.69
FC(F)(F)C1CN=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020253002	0	33	-1.0	-40.03	296.52	4.64	-35.39
FC(F)(F)C1CN=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020253002	1	33	-1.0	-40.01	296.58	4.66	-35.35
FC(F)(F)C1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020253002	1	34	0.0	-53.21	298.14	5.21	-48.00
CSCC[C@H](NC1=[NH+]CC(C(F)(F)F)N1)C1=NN=N[N-]1	REAL300020253003	0	34	0.0	-35.73	307.63	3.60	-32.13
CSCC[C@H](NC1=[NH+]CC(C(F)(F)F)N1)C1=N[N-]N=N1	REAL300020253003	1	34	0.0	-35.69	307.57	3.57	-32.12
OCCOCCN1CC[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253004	0	45	0.0	-47.72	367.00	3.97	-43.75
OCCOCCN1CC[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253004	1	45	0.0	-47.68	366.94	3.95	-43.73
CSCC[C@H](NC1=[NH+]CCN1CCOCCO)C1=NN=N[N-]1	REAL300020253005	0	45	0.0	-35.26	376.46	2.31	-32.95
CSCC[C@H](NC1=[NH+]CCN1CCOCCO)C1=N[N-]N=N1	REAL300020253005	1	45	0.0	-35.29	376.40	2.29	-33.00
OCCOCCN1CC[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020253006	0	45	0.0	-48.71	349.16	2.13	-46.58
OCCOCCN1CC[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020253006	1	45	0.0	-48.66	349.10	2.12	-46.54
CCOC1CNC(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]C1	REAL300020253007	0	41	0.0	-44.55	331.27	5.09	-39.46
CCOC1CNC(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=[NH+]C1	REAL300020253007	1	41	0.0	-44.56	331.22	5.07	-39.49
FC(F)(F)CCN1CC[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253008	0	40	0.0	-51.61	340.47	8.14	-43.47
FC(F)(F)CCN1CC[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253008	1	40	0.0	-51.55	340.41	8.12	-43.43
CSCC[C@H](NC1=[NH+]CCN1CCC(F)(F)F)C1=NN=N[N-]1	REAL300020253009	0	40	0.0	-38.10	349.95	6.49	-31.61
CSCC[C@H](NC1=[NH+]CCN1CCC(F)(F)F)C1=N[N-]N=N1	REAL300020253009	1	40	0.0	-38.05	349.89	6.47	-31.58
FC(F)(F)CCN1CC[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020253010	0	40	0.0	-51.61	321.99	6.33	-45.28
FC(F)(F)CCN1CC[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020253010	1	40	0.0	-51.61	321.93	6.31	-45.30
CCC(CC)N1CC[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253011	0	46	0.0	-43.82	354.68	9.64	-34.18
CCC(CC)N1CC[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253011	1	46	0.0	-43.84	354.63	9.62	-34.22
CCC(CC)N1CC[NH+]=C1N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020253012	0	46	0.0	-33.37	368.94	7.99	-25.38
CCC(CC)N1CC[NH+]=C1N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020253012	1	46	0.0	-33.33	368.89	7.96	-25.37
CC(C)CC1CN(C)C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]1	REAL300020253013	0	46	0.0	-42.53	362.26	8.54	-33.99
CC(C)CC1CN(C)C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=[NH+]1	REAL300020253013	1	46	0.0	-42.48	362.20	8.51	-33.97
CSCC[C@H](NC1=[NH+]C(CC(C)C)CN1C)C1=NN=N[N-]1	REAL300020253014	0	46	0.0	-33.64	367.44	7.20	-26.44
CSCC[C@H](NC1=[NH+]C(CC(C)C)CN1C)C1=N[N-]N=N1	REAL300020253014	1	46	0.0	-33.64	367.38	7.17	-26.47
CCN1CC(CC(C)C)[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253015	0	49	0.0	-45.11	380.57	9.81	-35.30
CCN1CC(CC(C)C)[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253015	1	49	0.0	-45.07	380.51	9.78	-35.29
CCN1CC(CC(C)C)[NH+]=C1N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020253016	0	49	0.0	-34.00	390.06	8.15	-25.85
CCN1CC(CC(C)C)[NH+]=C1N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020253016	1	49	0.0	-33.94	390.01	8.13	-25.81
CCN1CC(CC(C)C)[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020253017	0	49	0.0	-45.84	362.12	7.99	-37.85
CCN1CC(CC(C)C)[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020253017	1	49	0.0	-45.85	362.06	7.97	-37.88
CCN1CC(C2=CC=CC=C2)[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253018	0	47	0.0	-47.48	380.51	10.88	-36.60
CCN1CC(C2=CC=CC=C2)[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253018	1	47	0.0	-47.50	380.45	10.86	-36.64
CCN1CC(C2=CC=CC=C2)[NH+]=C1N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020253019	0	47	0.0	-32.47	389.91	9.20	-23.27
CCN1CC(C2=CC=CC=C2)[NH+]=C1N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020253019	1	47	0.0	-32.45	389.85	9.17	-23.28
CCN1CC(C2=CC=CC=C2)[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020253020	0	47	0.0	-46.86	362.17	9.08	-37.78
CCN1CC(C2=CC=CC=C2)[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020253020	1	47	0.0	-46.82	362.11	9.06	-37.76
CC(C)C1CN(CC2=CC=CC=C2)C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]1	REAL300020253021	0	53	0.0	-47.82	416.69	12.03	-35.79
CC(C)C1CN(CC2=CC=CC=C2)C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=[NH+]1	REAL300020253021	1	53	0.0	-47.80	416.64	12.00	-35.80
CSCC[C@H](NC1=[NH+]C(C(C)C)CN1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020253022	0	53	0.0	-32.09	425.31	10.36	-21.73
CSCC[C@H](NC1=[NH+]C(C(C)C)CN1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020253022	1	53	0.0	-32.05	425.26	10.34	-21.71
CC(C)C1CN(CC2=CC=CC=C2)C(N2CCC(C3=NN=N[N-]3)CC2)=[NH+]1	REAL300020253023	0	53	0.0	-47.49	397.39	10.40	-37.09
CC(C)C1CN(CC2=CC=CC=C2)C(N2CCC(C3=N[N-]N=N3)CC2)=[NH+]1	REAL300020253023	1	53	0.0	-47.46	397.33	10.38	-37.08
C1=CC=C2CN3C(NC4=CC=CC(CC5=NN=N[N-]5)=C4)=[NH+]CC3CC2=C1	REAL300020253024	0	45	0.0	-45.84	357.87	10.02	-35.82
C1=CC=C2CN3C(NC4=CC=CC(CC5=N[N-]N=N5)=C4)=[NH+]CC3CC2=C1	REAL300020253024	1	45	0.0	-45.85	357.81	10.00	-35.85
CSCC[C@H](NC1=[NH+]CC2CC3=CC=CC=C3CN12)C1=NN=N[N-]1	REAL300020253025	0	45	0.0	-33.96	367.10	8.36	-25.60
CSCC[C@H](NC1=[NH+]CC2CC3=CC=CC=C3CN12)C1=N[N-]N=N1	REAL300020253025	1	45	0.0	-33.99	367.04	8.33	-25.66
C1=CC=C2CN3C(N4CCC(C5=NN=N[N-]5)CC4)=[NH+]CC3CC2=C1	REAL300020253026	0	45	0.0	-48.66	339.87	8.25	-40.41
C1=CC=C2CN3C(N4CCC(C5=N[N-]N=N5)CC4)=[NH+]CC3CC2=C1	REAL300020253026	1	45	0.0	-48.67	339.82	8.23	-40.44
COCCN1CCC[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253027	0	44	0.0	-37.31	349.23	6.98	-30.33
COCCN1CCC[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253027	1	44	0.0	-37.30	349.18	6.95	-30.35
COCCN1CCC[NH+]=C1N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020253028	0	44	0.0	-31.39	357.05	5.28	-26.11
COCCN1CCC[NH+]=C1N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020253028	1	44	0.0	-31.38	357.00	5.27	-26.11
CC1=CC=C(C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)O1	REAL300020253029	0	41	0.0	-46.50	342.28	6.78	-39.72
CSCC[C@H](NC1=[NH+]CC(C2=CC=C(C)O2)N1)C1=NN=N[N-]1	REAL300020253030	0	41	0.0	-39.46	351.63	5.14	-34.32
CSCC[C@H](NC1=[NH+]CC(C2=CC=C(C)O2)N1)C1=N[N-]N=N1	REAL300020253030	1	41	0.0	-39.44	351.57	5.12	-34.32
CC1=CC=C(C2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2)O1	REAL300020253031	0	41	0.0	-52.15	323.95	5.76	-46.39
CC1=CC=C(C2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2)O1	REAL300020253031	1	41	0.0	-52.11	323.89	5.74	-46.37
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CC(C3CCCC3)N2)=C1	REAL300020253032	0	44	0.0	-47.49	344.03	7.37	-40.12
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CC(C3CCCC3)N2)=C1	REAL300020253032	1	44	0.0	-47.49	343.98	7.33	-40.16
CSCC[C@H](NC1=[NH+]CC(C2CCCC2)N1)C1=NN=N[N-]1	REAL300020253033	0	44	0.0	-35.51	352.89	5.79	-29.72
CSCC[C@H](NC1=[NH+]CC(C2CCCC2)N1)C1=N[N-]N=N1	REAL300020253033	1	44	0.0	-35.49	352.83	5.76	-29.73
CN1C=C(C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)C=N1	REAL300020253034	0	41	0.0	-53.46	342.11	5.68	-47.78
CN1C=C(C2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)C=N1	REAL300020253034	1	41	0.0	-53.42	342.06	5.65	-47.77
CSCC[C@H](NC1=[NH+]CC(C2=CN(C)N=C2)N1)C1=NN=N[N-]1	REAL300020253035	0	41	0.0	-38.12	351.43	4.02	-34.10
CSCC[C@H](NC1=[NH+]CC(C2=CN(C)N=C2)N1)C1=N[N-]N=N1	REAL300020253035	1	41	0.0	-38.09	351.37	3.99	-34.10
CN1C=C(C2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2)C=N1	REAL300020253036	0	41	0.0	-56.13	323.74	4.66	-51.47
CN1C=C(C2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2)C=N1	REAL300020253036	1	41	0.0	-56.10	323.68	4.64	-51.46
CSCC[C@H](NC1=[NH+]CC(C(F)(F)F)N1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020253037	0	47	0.0	-36.46	404.79	9.39	-27.07
CSCC[C@H](NC1=[NH+]CC(C(F)(F)F)N1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020253037	1	47	0.0	-36.42	404.73	9.36	-27.06
FC(F)(F)C1C[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)N1CC1=CC=CC=C1	REAL300020253038	0	47	0.0	-50.26	376.39	9.15	-41.11
FC(F)(F)C1C[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)N1CC1=CC=CC=C1	REAL300020253038	1	47	0.0	-50.26	376.33	9.13	-41.13
CCC(C)N1C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]CC1C1=CC=CO1	REAL300020253039	0	50	0.0	-45.67	393.85	10.35	-35.32
CCC(C)N1C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=[NH+]CC1C1=CC=CO1	REAL300020253039	1	50	0.0	-45.67	393.79	10.32	-35.35
CCC(C)N1C(N[C@@H](CCSC)C2=NN=N[N-]2)=[NH+]CC1C1=CC=CO1	REAL300020253040	0	50	0.0	-36.29	403.43	8.58	-27.71
CCC(C)N1C(N[C@@H](CCSC)C2=N[N-]N=N2)=[NH+]CC1C1=CC=CO1	REAL300020253040	1	50	0.0	-36.22	403.38	8.55	-27.67
CCC(C)N1C(N2CCC(C3=NN=N[N-]3)CC2)=[NH+]CC1C1=CC=CO1	REAL300020253041	0	50	0.0	-46.94	375.09	8.52	-38.42
CCC(C)N1C(N2CCC(C3=N[N-]N=N3)CC2)=[NH+]CC1C1=CC=CO1	REAL300020253041	1	50	0.0	-46.95	375.03	8.50	-38.45
C1=COC(C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2CC2=CC=CC=C2)=C1	REAL300020253042	0	51	0.0	-48.53	409.01	11.54	-36.99
C1=COC(C2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2CC2=CC=CC=C2)=C1	REAL300020253042	1	51	0.0	-48.55	408.95	11.52	-37.03
CSCC[C@H](NC1=[NH+]CC(C2=CC=CO2)N1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020253043	0	51	0.0	-40.05	418.28	9.88	-30.17
CSCC[C@H](NC1=[NH+]CC(C2=CC=CO2)N1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020253043	1	51	0.0	-40.01	418.22	9.86	-30.15
C1=COC(C2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2CC2=CC=CC=C2)=C1	REAL300020253044	0	51	0.0	-48.40	393.00	9.67	-38.73
C1=COC(C2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2CC2=CC=CC=C2)=C1	REAL300020253044	1	51	0.0	-48.39	392.95	9.65	-38.74
CC1=NC(C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)=CS1	REAL300020253045	0	40	0.0	-46.48	344.09	5.82	-40.66
CC1=NC(C2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)=CS1	REAL300020253045	1	40	0.0	-46.44	344.04	5.79	-40.65
CSCC[C@H](NC1=[NH+]CC(C2=CSC(C)=N2)N1)C1=NN=N[N-]1	REAL300020253046	0	40	0.0	-36.37	353.52	4.15	-32.22
CSCC[C@H](NC1=[NH+]CC(C2=CSC(C)=N2)N1)C1=N[N-]N=N1	REAL300020253046	1	40	0.0	-36.35	353.46	4.13	-32.22
CC1=NC(C2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2)=CS1	REAL300020253047	0	40	0.0	-49.13	325.69	4.79	-44.34
CC1=NC(C2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2)=CS1	REAL300020253047	1	40	0.0	-49.15	325.63	4.77	-44.38
C[C@H]1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1CC1=CC=CC=C1	REAL300020253048	0	47	0.0	-47.06	379.72	10.70	-36.36
C[C@H]1C[NH+]=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1CC1=CC=CC=C1	REAL300020253048	1	47	0.0	-47.02	379.66	10.68	-36.34
CSCC[C@H](NC1=[NH+]C[C@H](C)N1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020253049	0	47	0.0	-36.19	387.30	9.07	-27.12
CSCC[C@H](NC1=[NH+]C[C@H](C)N1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020253049	1	47	0.0	-36.18	387.25	9.04	-27.14
C[C@H]1C[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)N1CC1=CC=CC=C1	REAL300020253050	0	47	0.0	-46.99	360.09	8.81	-38.18
C[C@H]1C[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)N1CC1=CC=CC=C1	REAL300020253050	1	47	0.0	-46.99	360.04	8.79	-38.20
C[C@H]1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1CC(F)F	REAL300020253051	0	40	0.0	-47.99	332.09	7.86	-40.13
CSCC[C@H](NC1=[NH+]C[C@H](C)N1CC(F)F)C1=NN=N[N-]1	REAL300020253052	0	40	0.0	-39.28	341.42	6.22	-33.06
CSCC[C@H](NC1=[NH+]C[C@H](C)N1CC(F)F)C1=N[N-]N=N1	REAL300020253052	1	40	0.0	-39.27	341.36	6.20	-33.07
CC(C)(C)CC1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020253053	0	46	0.0	-48.12	351.49	7.69	-40.43
CC(C)(C)CC1C[NH+]=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020253053	1	46	0.0	-48.15	351.43	7.66	-40.49
CSCC[C@H](NC1=[NH+]CC(CC(C)(C)C)N1)C1=NN=N[N-]1	REAL300020253054	0	46	0.0	-34.84	360.63	6.11	-28.73
CSCC[C@H](NC1=[NH+]CC(CC(C)(C)C)N1)C1=N[N-]N=N1	REAL300020253054	1	46	0.0	-34.82	360.57	6.08	-28.74
ClC1=CC=C(C2C[NH+]=C(NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)C=C1	REAL300020253055	0	41	0.0	-53.49	355.09	8.51	-44.98
ClC1=CC=C(C2C[NH+]=C(NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)C=C1	REAL300020253055	1	41	0.0	-53.47	355.03	8.49	-44.98
CSCC[C@H](NC1=[NH+]CC(C2=CC=C(Cl)C=C2)N1)C1=NN=N[N-]1	REAL300020253056	0	41	0.0	-36.87	364.58	6.87	-30.00
CSCC[C@H](NC1=[NH+]CC(C2=CC=C(Cl)C=C2)N1)C1=N[N-]N=N1	REAL300020253056	1	41	0.0	-36.84	364.52	6.84	-30.00
ClC1=CC=C(C2C[NH+]=C(N3CCC(C4=NN=N[N-]4)CC3)N2)C=C1	REAL300020253057	0	41	0.0	-54.51	336.75	7.57	-46.94
ClC1=CC=C(C2C[NH+]=C(N3CCC(C4=N[N-]N=N4)CC3)N2)C=C1	REAL300020253057	1	41	0.0	-54.49	336.69	7.55	-46.94
CC(C1=CC=CC=C1)C1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020253058	0	47	0.0	-51.72	374.90	8.91	-42.81
CC(C1=CC=CC=C1)C1C[NH+]=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020253058	1	47	0.0	-51.71	374.84	8.89	-42.82
CSCC[C@H](NC1=[NH+]CC(C(C)C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020253059	0	47	0.0	-35.62	378.70	7.81	-27.81
CSCC[C@H](NC1=[NH+]CC(C(C)C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020253059	1	47	0.0	-35.63	378.64	7.79	-27.84
CC(C1=CC=CC=C1)C1C[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)N1	REAL300020253060	0	47	0.0	-50.12	357.17	7.95	-42.17
CC(C1=CC=CC=C1)C1C[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)N1	REAL300020253060	1	47	0.0	-50.08	357.11	7.94	-42.14
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+]CCN2CC[NH+]2CCCCCC2)=C1	REAL300020253061	0	56	1.0	-99.81	410.45	10.37	-89.44
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+]CCN2CC[NH+]2CCCCCC2)=C1	REAL300020253061	1	56	1.0	-99.80	410.39	10.35	-89.45
CSCC[C@H](NC1=[NH+]CCN1CC[NH+]1CCCCCC1)C1=NN=N[N-]1	REAL300020253062	0	56	1.0	-87.08	419.93	8.71	-78.37
CSCC[C@H](NC1=[NH+]CCN1CC[NH+]1CCCCCC1)C1=N[N-]N=N1	REAL300020253062	1	56	1.0	-87.05	419.87	8.69	-78.36
C(C[NH+]1CCCCCC1)N1CC[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1	REAL300020253063	0	56	1.0	-105.09	391.96	8.56	-96.53
C(C[NH+]1CCCCCC1)N1CC[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1	REAL300020253063	1	56	1.0	-105.05	391.91	8.54	-96.51
CSCC[C@H](NC1=[NH+]CCN1CCN(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020253064	0	57	0.0	-37.01	456.74	7.73	-29.28
CSCC[C@H](NC1=[NH+]CCN1CCN(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020253064	1	57	0.0	-37.01	456.69	7.71	-29.30
CN(CCN1CC[NH+]=C1N1CCC(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300020253065	0	57	0.0	-51.69	428.77	7.57	-44.12
CN(CCN1CC[NH+]=C1N1CCC(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300020253065	1	57	0.0	-51.68	428.71	7.56	-44.12
CC(C)C1N=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC1C(F)(F)F	REAL300020253066	0	42	-1.0	-39.34	343.55	6.96	-32.38
CC(C)C1[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC1C(F)(F)F	REAL300020253066	1	43	0.0	-51.10	344.20	7.28	-43.82
CC(C)C1N=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC1C(F)(F)F	REAL300020253066	1	42	-1.0	-39.36	343.61	6.99	-32.37
CSCC[C@H](NC1=[NH+]C(C(C)C)C(C(F)(F)F)N1)C1=NN=N[N-]1	REAL300020253067	0	43	0.0	-34.82	353.10	5.58	-29.24
CSCC[C@H](NC1=[NH+]C(C(C)C)C(C(F)(F)F)N1)C1=N[N-]N=N1	REAL300020253067	1	43	0.0	-34.79	353.04	5.56	-29.23
CC(C)C1[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)NC1C(F)(F)F	REAL300020253068	0	43	0.0	-49.71	325.00	6.13	-43.58
CC(C)C1[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)NC1C(F)(F)F	REAL300020253068	1	43	0.0	-49.69	324.94	6.12	-43.57
CN1C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NCC1C(F)(F)F	REAL300020253069	0	36	-1.0	-39.85	312.34	6.45	-33.40
CN1C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]CC1C(F)(F)F	REAL300020253069	1	37	0.0	-49.20	314.61	7.08	-42.12
CN1C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NCC1C(F)(F)F	REAL300020253069	1	36	-1.0	-39.90	312.40	6.48	-33.42
CSCC[C@H](NC1=[NH+]CC(C(F)(F)F)N1C)C1=NN=N[N-]1	REAL300020253070	0	37	0.0	-33.91	323.64	5.40	-28.51
CSCC[C@H](NC1=[NH+]CC(C(F)(F)F)N1C)C1=N[N-]N=N1	REAL300020253070	1	37	0.0	-33.92	323.58	5.38	-28.54
CN1C(N2CCC(C3=NN=N[N-]3)CC2)=[NH+]CC1C(F)(F)F	REAL300020253071	0	37	0.0	-49.84	296.08	5.29	-44.55
CN1C(N2CCC(C3=N[N-]N=N3)CC2)=[NH+]CC1C(F)(F)F	REAL300020253071	1	37	0.0	-49.82	296.03	5.27	-44.55
FC1=CC=CC(F)=C1C1C[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020253072	0	41	0.0	-45.18	343.45	7.38	-37.80
FC1=CC=CC(F)=C1C1C[NH+]=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020253072	1	41	0.0	-45.20	343.39	7.36	-37.84
CSCC[C@H](NC1=[NH+]CC(C2=C(F)C=CC=C2F)N1)C1=NN=N[N-]1	REAL300020253073	0	41	0.0	-35.71	355.53	5.71	-30.00
CSCC[C@H](NC1=[NH+]CC(C2=C(F)C=CC=C2F)N1)C1=N[N-]N=N1	REAL300020253073	1	41	0.0	-35.68	355.47	5.69	-29.99
FC1=CC=CC(F)=C1C1C[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)N1	REAL300020253074	0	41	0.0	-47.15	327.93	6.37	-40.78
FC1=CC=CC(F)=C1C1C[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)N1	REAL300020253074	1	41	0.0	-47.17	327.87	6.36	-40.81
CC1[NH+]=C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC1C(O)C1=CC=CC=C1	REAL300020253075	0	48	0.0	-46.92	387.81	6.23	-40.69
CC1[NH+]=C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC1C(O)C1=CC=CC=C1	REAL300020253075	1	48	0.0	-46.91	387.75	6.20	-40.71
CSCC[C@H](NC1=[NH+]C(C)C(C(O)C2=CC=CC=C2)N1)C1=NN=N[N-]1	REAL300020253076	0	48	0.0	-35.01	390.19	4.73	-30.28
CSCC[C@H](NC1=[NH+]C(C)C(C(O)C2=CC=CC=C2)N1)C1=N[N-]N=N1	REAL300020253076	1	48	0.0	-34.98	390.13	4.70	-30.28
CC1[NH+]=C(N2CCC(C3=NN=N[N-]3)CC2)NC1C(O)C1=CC=CC=C1	REAL300020253077	0	48	0.0	-49.76	361.45	5.42	-44.34
CC1[NH+]=C(N2CCC(C3=N[N-]N=N3)CC2)NC1C(O)C1=CC=CC=C1	REAL300020253077	1	48	0.0	-49.78	361.40	5.41	-44.37
CN1C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=[NH+]CC1C(F)(F)C(F)(F)F	REAL300020253078	0	40	0.0	-46.05	341.81	7.72	-38.33
CN1C(NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NCC1C(F)(F)C(F)(F)F	REAL300020253078	1	39	-1.0	-39.62	340.22	7.21	-32.41
CN1C(NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NCC1C(F)(F)C(F)(F)F	REAL300020253078	1	39	-1.0	-39.65	340.28	7.24	-32.41
CSCC[C@H](NC1=[NH+]CC(C(F)(F)C(F)(F)F)N1C)C1=NN=N[N-]1	REAL300020253079	0	40	0.0	-33.56	351.62	6.09	-27.47
CSCC[C@H](NC1=[NH+]CC(C(F)(F)C(F)(F)F)N1C)C1=N[N-]N=N1	REAL300020253079	1	40	0.0	-33.47	351.56	6.06	-27.41
CN1C(N2CCC(C3=NN=N[N-]3)CC2)=[NH+]CC1C(F)(F)C(F)(F)F	REAL300020253080	0	40	0.0	-49.40	323.17	5.95	-43.45
CN1C(N2CCC(C3=N[N-]N=N3)CC2)=[NH+]CC1C(F)(F)C(F)(F)F	REAL300020253080	1	40	0.0	-49.39	323.11	5.93	-43.46
C1=CC(CC2=NN=N[N-]2)=CC(NC2=[NH+][C@@H]3CCCCC[C@@H]3N2)=C1	REAL300020253081	0	44	0.0	-46.55	334.13	7.12	-39.43
C1=CC(CC2=N[N-]N=N2)=CC(NC2=[NH+][C@@H]3CCCCC[C@@H]3N2)=C1	REAL300020253081	1	44	0.0	-46.54	334.07	7.09	-39.45
CSCC[C@H](NC1=[NH+][C@H]2CCCCC[C@H]2N1)C1=NN=N[N-]1	REAL300020253082	0	44	0.0	-33.03	343.16	5.40	-27.63
CSCC[C@H](NC1=[NH+][C@H]2CCCCC[C@H]2N1)C1=N[N-]N=N1	REAL300020253082	1	44	0.0	-33.04	343.10	5.38	-27.66
COCCN1CC[NH+]=C1NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020253083	0	41	0.0	-45.69	333.77	6.11	-39.58
COCCN1CC[NH+]=C1NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020253083	1	41	0.0	-45.65	333.71	6.09	-39.56
CN1C=CC(N2CCN=C2NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020253084	0	40	-1.0	-43.56	334.60	7.79	-35.77
CN1C=CC(N2CCN=C2NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020253084	1	40	-1.0	-43.58	334.54	7.77	-35.81
CSCC[C@H](NC1=[NH+]CCN1C1=NN(C)C=C1)C1=NN=N[N-]1	REAL300020253085	0	41	0.0	-37.04	348.13	6.94	-30.10
CSCC[C@H](NC1=[NH+]CCN1C1=NN(C)C=C1)C1=N[N-]N=N1	REAL300020253085	1	41	0.0	-37.05	348.07	6.92	-30.13
CSCC[C@H](NC1=NCCN1C1=NN(C)C=C1)C1=NN=N[N-]1	REAL300020253085	1	40	-1.0	-50.95	350.48	5.40	-45.55
CN1C=CC(N2CC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020253086	0	41	0.0	-48.07	321.92	6.81	-41.26
CN1C=CC(N2CC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020253086	1	41	0.0	-48.09	321.86	6.80	-41.29
CC1=NN(C)C(N2CCN=C2NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020253087	0	43	-1.0	-41.38	362.61	7.97	-33.41
CC1=NN(C)C(N2CCN=C2NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020253087	1	43	-1.0	-41.40	362.66	7.99	-33.41
CSCC[C@H](NC1=[NH+]CCN1C1=CC(C)=NN1C)C1=NN=N[N-]1	REAL300020253088	0	44	0.0	-36.36	373.63	6.89	-29.47
CSCC[C@H](NC1=[NH+]CCN1C1=CC(C)=NN1C)C1=N[N-]N=N1	REAL300020253088	1	44	0.0	-36.36	373.57	6.87	-29.49
CC1=NN(C)C(N2CC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020253089	0	44	0.0	-50.05	343.32	6.66	-43.39
CC1=NN(C)C(N2CC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020253089	1	44	0.0	-50.02	343.27	6.64	-43.38
C1=CC=C(CON2CCN=C2NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020253090	0	44	-1.0	-41.18	374.18	9.25	-31.93
C1=CC=C(CON2CCN=C2NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020253090	1	44	-1.0	-41.21	374.23	9.28	-31.93
CSCC[C@H](NC1=[NH+]CCN1OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020253091	0	45	0.0	-37.06	385.26	8.20	-28.86
CSCC[C@H](NC1=[NH+]CCN1OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020253091	1	45	0.0	-37.05	385.21	8.17	-28.88
C1=CC=C(CON2CC[NH+]=C2N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020253092	0	45	0.0	-49.86	358.97	8.43	-41.43
C1=CC=C(CON2CC[NH+]=C2N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020253092	1	45	0.0	-49.85	358.91	8.42	-41.43
CC(C)C1O[C@@H]2CNC(NC3=CC=CC(CC4=NN=N[N-]4)=C3)=[NH+]C[C@H]2O1	REAL300020253093	0	49	0.0	-45.34	380.23	6.45	-38.89
CC(C)C1O[C@@H]2CNC(NC3=CC=CC(CC4=N[N-]N=N4)=C3)=[NH+]C[C@H]2O1	REAL300020253093	1	49	0.0	-45.32	380.17	6.42	-38.90
CSCC[C@H](NC1=[NH+]C[C@H]2OC(C(C)C)O[C@@H]2CN1)C1=NN=N[N-]1	REAL300020253094	0	49	0.0	-34.14	384.78	4.65	-29.49
CSCC[C@H](NC1=[NH+]C[C@H]2OC(C(C)C)O[C@@H]2CN1)C1=N[N-]N=N1	REAL300020253094	1	49	0.0	-34.12	384.71	4.64	-29.48
CC(C)C1O[C@@H]2CNC(N3CCC(C4=NN=N[N-]4)CC3)=[NH+]C[C@H]2O1	REAL300020253095	0	49	0.0	-49.56	361.46	5.43	-44.13
CC(C)C1O[C@@H]2CNC(N3CCC(C4=N[N-]N=N4)CC3)=[NH+]C[C@H]2O1	REAL300020253095	1	49	0.0	-49.53	361.40	5.42	-44.11
CN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253096	0	43	-1.0	-43.52	354.11	9.26	-34.26
CN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253096	1	43	-1.0	-43.50	354.19	9.24	-34.26
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253097	0	45	-1.0	-43.09	357.81	7.83	-35.26
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253097	1	45	-1.0	-43.15	357.87	7.84	-35.31
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253098	0	42	-1.0	-47.25	340.02	6.57	-40.68
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253098	1	42	-1.0	-47.25	339.96	6.54	-40.71
CCCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253099	0	49	-1.0	-44.58	392.87	9.33	-35.25
CCCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253099	1	49	-1.0	-44.58	392.91	9.33	-35.25
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020253100	0	43	-1.0	-41.32	381.84	7.80	-33.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020253100	1	43	-1.0	-41.35	381.90	7.81	-33.54
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020253101	0	40	-1.0	-45.16	350.60	6.67	-38.49
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020253101	1	40	-1.0	-45.12	350.54	6.63	-38.49
COCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253102	0	49	-1.0	-42.44	393.05	7.19	-35.25
COCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253102	1	49	-1.0	-42.41	393.11	7.21	-35.20
COCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253103	0	46	-1.0	-46.21	371.81	6.13	-40.08
COCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253103	1	46	-1.0	-46.22	371.86	6.16	-40.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020253104	0	52	0.0	-69.27	401.63	9.28	-59.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020253104	1	52	0.0	-69.53	394.10	10.01	-59.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020253104	1	52	0.0	-69.28	401.69	9.30	-59.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020253104	1	52	0.0	-69.53	394.16	10.02	-59.51
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020253105	0	49	0.0	-68.95	379.08	8.47	-60.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020253105	1	49	0.0	-68.52	372.60	9.22	-59.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020253105	1	49	0.0	-68.94	379.13	8.50	-60.44
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020253105	1	49	0.0	-68.57	372.66	9.24	-59.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020253106	0	44	-1.0	-46.01	360.46	5.50	-40.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020253106	1	44	-1.0	-46.00	360.51	5.51	-40.49
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020253107	0	41	-1.0	-47.49	338.96	4.72	-42.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020253107	1	41	-1.0	-47.48	339.02	4.74	-42.74
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCCCC1	REAL300020253108	0	46	-1.0	-43.68	352.24	8.78	-34.90
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCCCC1	REAL300020253108	1	46	-1.0	-43.67	352.27	8.78	-34.89
CCSC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020253109	0	46	-1.0	-42.34	379.77	7.49	-34.85
CCSC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020253109	1	46	-1.0	-42.31	379.82	7.50	-34.81
CCSC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020253110	0	43	-1.0	-47.30	358.27	6.69	-40.61
CCSC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020253110	1	43	-1.0	-47.32	358.33	6.72	-40.60
CCSC1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020253111	0	50	-1.0	-43.38	403.67	10.22	-33.16
CCSC1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020253111	1	50	-1.0	-43.41	403.70	10.21	-33.20
CCSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253112	0	45	-1.0	-40.61	370.60	7.31	-33.30
CCSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253112	1	45	-1.0	-40.65	370.66	7.32	-33.33
CCSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253113	0	42	-1.0	-41.59	348.22	6.94	-34.65
CCSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253113	1	42	-1.0	-41.58	348.29	6.96	-34.62
CCSCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253114	0	49	-1.0	-41.85	400.72	9.81	-32.04
CCSCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253114	1	49	-1.0	-41.80	400.77	9.80	-32.00
CCC1=NSC(N2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020253115	0	49	-1.0	-43.78	393.87	6.01	-37.77
CCC1=NSC(N2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020253115	1	49	-1.0	-43.81	393.93	6.03	-37.78
CCC1=NSC(N2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020253116	0	46	-1.0	-46.20	372.37	5.22	-40.98
CCC1=NSC(N2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020253116	1	46	-1.0	-46.23	372.43	5.24	-40.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC3=CC=CC=C32)C1	REAL300020253117	0	50	-1.0	-45.51	412.95	8.87	-36.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC3=CC=CC=C32)C1	REAL300020253117	1	50	-1.0	-45.51	413.01	8.89	-36.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC3=CC=CC=C32)C1	REAL300020253118	0	47	-1.0	-48.21	391.45	8.09	-40.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC3=CC=CC=C32)C1	REAL300020253118	1	47	-1.0	-48.23	391.51	8.11	-40.12
CC(C1=CC=C(S(C)=O)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253119	0	47	-1.0	-51.36	390.90	6.67	-44.69
CC(C1=CC=C(S(C)=O)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253119	1	47	-1.0	-51.36	390.96	6.68	-44.68
CC(C1=CC=C(S(C)=O)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253120	0	44	-1.0	-52.02	364.13	5.74	-46.28
CC(C1=CC=C(S(C)=O)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253120	1	44	-1.0	-51.99	364.18	5.76	-46.23
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)OC(C1=CC=CC=C1)=C2	REAL300020253121	0	47	-1.0	-42.14	391.67	9.49	-32.65
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)OC(C1=CC=CC=C1)=C2	REAL300020253121	1	47	-1.0	-42.14	391.73	9.51	-32.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)OC(C1=CC=CC=C1)=C2	REAL300020253122	0	44	-1.0	-43.98	370.17	8.70	-35.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)OC(C1=CC=CC=C1)=C2	REAL300020253122	1	44	-1.0	-43.97	370.23	8.72	-35.25
CCCCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C1(C)C	REAL300020253123	0	55	-1.0	-41.50	422.45	7.15	-34.35
CCCCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C1(C)C	REAL300020253123	1	55	-1.0	-41.54	422.51	7.16	-34.38
CCCCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C1(C)C	REAL300020253124	0	52	-1.0	-45.51	400.94	6.35	-39.16
CCCCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C1(C)C	REAL300020253124	1	52	-1.0	-45.50	401.00	6.38	-39.12
CC1=CC=C(C2CC(C)N(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020253125	0	49	-1.0	-41.13	393.19	9.44	-31.69
CC1=CC=C(C2CC(C)N(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020253125	1	49	-1.0	-41.14	393.24	9.45	-31.69
CC1=CC=C(C2CC(C)N(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020253126	0	46	-1.0	-44.32	371.33	8.61	-35.71
CC1=CC=C(C2CC(C)N(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020253126	1	46	-1.0	-44.33	371.39	8.64	-35.69
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCN1C1=NC=CN2C=NN=C12	REAL300020253127	0	49	-1.0	-48.31	387.06	9.82	-38.49
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCN1C1=NC=CN2C=NN=C12	REAL300020253127	1	49	-1.0	-48.31	387.00	9.81	-38.50
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1C1=NC=CN2C=NN=C12	REAL300020253128	0	46	-1.0	-51.47	364.47	9.00	-42.47
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCN1C1=NC=CN2C=NN=C12	REAL300020253128	1	46	-1.0	-51.45	364.41	8.98	-42.47
CC1=CC(F)=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020253129	0	43	-1.0	-40.14	354.71	8.10	-32.04
CC1=CC(F)=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020253129	1	43	-1.0	-40.14	354.77	8.12	-32.02
CC1=CC(F)=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020253130	0	40	-1.0	-47.34	323.71	6.13	-41.21
CC1=CC(F)=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020253130	1	40	-1.0	-47.31	323.65	6.11	-41.20
CC1=CC(F)=CC2=C1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)CC2	REAL300020253131	0	47	-1.0	-46.91	377.13	9.04	-37.87
CC1=CC(F)=CC2=C1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)CC2	REAL300020253131	1	47	-1.0	-46.81	377.18	9.02	-37.79
CCCOC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020253132	0	50	-1.0	-44.36	396.75	7.58	-36.78
CCCOC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020253132	1	50	-1.0	-44.35	396.80	7.59	-36.76
CCCOC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020253133	0	47	-1.0	-46.53	373.52	6.59	-39.94
CCCOC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020253133	1	47	-1.0	-46.53	373.58	6.62	-39.91
C#CCN1C=CC(CN(CCOC)C2=NN=C(CCC3=N[N-]N=N3)N2C)=N1	REAL300020253134	0	48	-1.0	-46.07	404.40	5.36	-40.71
C#CCN1C=CC(CN(CCOC)C2=NN=C(CCC3=NN=N[N-]3)N2C)=N1	REAL300020253134	1	48	-1.0	-46.05	404.45	5.38	-40.67
C#CCN1C=CC(CN(CCOC)C2=NN=C(CC3=N[N-]N=N3)N2C)=N1	REAL300020253135	0	45	-1.0	-47.82	392.07	4.64	-43.18
C#CCN1C=CC(CN(CCOC)C2=NN=C(CC3=NN=N[N-]3)N2C)=N1	REAL300020253135	1	45	-1.0	-47.85	392.12	4.66	-43.19
COCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCC(C)C1	REAL300020253136	0	49	-1.0	-41.53	370.24	6.13	-35.40
COCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCC(C)C1	REAL300020253136	1	49	-1.0	-41.53	370.30	6.15	-35.38
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCC(C)C1	REAL300020253137	0	46	-1.0	-45.99	357.31	4.95	-41.04
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCC(C)C1	REAL300020253137	1	46	-1.0	-45.99	357.37	4.98	-41.01
COCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCC(C)C1	REAL300020253138	0	53	-1.0	-42.26	413.13	7.38	-34.88
COCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCC(C)C1	REAL300020253138	1	53	-1.0	-42.26	413.16	7.37	-34.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Br)C=CC(F)=C2C1	REAL300020253139	0	37	-1.0	-42.83	328.28	7.40	-35.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Br)C=CC(F)=C2C1	REAL300020253139	1	37	-1.0	-42.82	328.34	7.42	-35.40
CC1=CC=C(N2C=NC3=C2CCN(C2=NN=C(CCC4=N[N-]N=N4)N2C)C3)C=C1	REAL300020253140	0	50	-1.0	-48.42	404.79	9.55	-38.87
CC1=CC=C(N2C=NC3=C2CCN(C2=NN=C(CCC4=NN=N[N-]4)N2C)C3)C=C1	REAL300020253140	1	50	-1.0	-48.41	404.84	9.56	-38.85
CC1=CC=C(N2C=NC3=C2CCN(C2=NN=C(CC4=N[N-]N=N4)N2C)C3)C=C1	REAL300020253141	0	47	-1.0	-51.75	383.29	8.76	-42.99
CC1=CC=C(N2C=NC3=C2CCN(C2=NN=C(CC4=NN=N[N-]4)N2C)C3)C=C1	REAL300020253141	1	47	-1.0	-51.79	383.35	8.79	-43.00
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253142	0	48	-1.0	-43.53	373.77	9.51	-34.02
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253142	1	48	-1.0	-43.50	373.81	9.51	-33.99
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCC2=CC=CC=C21	REAL300020253143	0	43	-1.0	-43.25	350.01	7.16	-36.09
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCC2=CC=CC=C21	REAL300020253143	1	43	-1.0	-43.27	350.07	7.17	-36.10
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCC2=CC=CC=C21	REAL300020253144	0	40	-1.0	-49.67	328.15	6.31	-43.36
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCC2=CC=CC=C21	REAL300020253144	1	40	-1.0	-49.66	328.08	6.27	-43.39
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCC2=CC=CC=C21	REAL300020253145	0	47	-1.0	-44.69	381.36	9.12	-35.57
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCC2=CC=CC=C21	REAL300020253145	1	47	-1.0	-44.85	380.85	9.22	-35.63
COC1=CC=C(C(C)N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020253146	0	46	-1.0	-41.43	368.17	7.37	-34.06
COC1=CC=C(C(C)N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020253146	1	46	-1.0	-41.41	368.23	7.39	-34.02
COC1=CC=C(C(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020253147	0	43	-1.0	-42.40	341.45	6.48	-35.92
COC1=CC=C(C(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020253147	1	43	-1.0	-42.39	341.39	6.45	-35.94
COC1=CC=C(C(C)N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020253148	0	50	-1.0	-43.51	395.31	9.34	-34.17
COC1=CC=C(C(C)N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020253148	1	50	-1.0	-43.50	395.37	9.34	-34.16
CC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020253149	0	46	-1.0	-41.44	361.41	7.53	-33.91
CC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020253149	1	46	-1.0	-41.43	361.47	7.54	-33.89
CC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020253150	0	43	-1.0	-44.50	350.95	8.41	-36.09
CC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020253150	1	43	-1.0	-44.54	350.89	8.38	-36.16
CC1=CC=C(C2CCCN2C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020253151	0	50	-1.0	-44.70	401.69	11.20	-33.50
CC1=CC=C(C2CCCN2C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020253151	1	50	-1.0	-44.63	401.80	11.18	-33.45
CC(C1=CC=C(S(C)(=O)=O)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253152	0	48	-1.0	-48.84	399.38	5.60	-43.24
CC(C1=CC=C(S(C)(=O)=O)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253152	1	48	-1.0	-48.88	399.44	5.61	-43.27
CC(C1=CC=C(S(C)(=O)=O)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253153	0	45	-1.0	-49.12	372.61	4.67	-44.45
CC(C1=CC=C(S(C)(=O)=O)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253153	1	45	-1.0	-49.09	372.66	4.69	-44.40
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253154	0	45	-1.0	-41.94	367.63	8.34	-33.60
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253154	1	45	-1.0	-41.96	367.69	8.36	-33.60
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253155	0	42	-1.0	-45.27	347.13	7.62	-37.65
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253155	1	42	-1.0	-45.25	347.09	7.60	-37.65
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020253156	0	42	-1.0	-42.04	338.84	4.06	-37.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020253156	1	42	-1.0	-42.04	338.90	4.07	-37.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020253157	0	39	-1.0	-44.03	318.43	3.57	-40.46
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020253157	1	39	-1.0	-44.05	318.48	3.59	-40.46
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020253158	0	46	-1.0	-43.93	371.86	6.42	-37.51
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020253158	1	46	-1.0	-43.93	371.89	6.41	-37.52
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1	REAL300020253159	0	38	-1.0	-42.65	320.56	7.26	-35.39
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1	REAL300020253159	1	38	-1.0	-42.61	320.59	7.25	-35.36
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C(C)C	REAL300020253160	0	42	-1.0	-42.93	339.77	6.02	-36.91
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C(C)C	REAL300020253160	1	42	-1.0	-42.92	339.82	6.01	-36.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020253161	0	44	-1.0	-41.92	370.99	9.04	-32.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020253161	1	44	-1.0	-41.90	371.04	9.05	-32.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020253162	0	41	-1.0	-43.40	356.47	8.79	-34.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020253162	1	41	-1.0	-43.44	356.53	8.81	-34.63
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020253163	0	44	-1.0	-44.66	350.74	4.91	-39.75
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020253163	1	44	-1.0	-44.66	350.81	4.89	-39.77
CC1=C(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C2=CC=CC=C2N1	REAL300020253164	0	51	-1.0	-42.92	419.66	9.43	-33.49
CC1=C(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C2=CC=CC=C2N1	REAL300020253164	1	51	-1.0	-42.89	419.72	9.44	-33.45
CC1=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C2=CC=CC=C2N1	REAL300020253165	0	48	-1.0	-51.26	392.20	7.79	-43.47
CC1=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C2=CC=CC=C2N1	REAL300020253165	1	48	-1.0	-51.26	392.26	7.81	-43.45
CC(C)N(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253166	0	42	-1.0	-40.58	336.07	6.57	-34.01
CC(C)N(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253166	1	42	-1.0	-40.60	336.12	6.59	-34.01
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253167	0	39	-1.0	-41.73	314.67	5.75	-35.98
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253167	1	39	-1.0	-41.72	314.61	5.72	-36.00
CC(C)N(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253168	0	46	-1.0	-42.84	366.91	8.57	-34.27
CC(C)N(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253168	1	46	-1.0	-42.90	366.93	8.57	-34.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020253169	0	47	-1.0	-47.28	368.36	7.40	-39.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020253169	1	47	-1.0	-47.30	368.42	7.41	-39.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020253170	0	44	-1.0	-46.50	354.29	6.11	-40.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020253170	1	44	-1.0	-46.49	354.35	6.14	-40.35
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020253171	0	51	-1.0	-50.15	399.60	9.47	-40.68
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020253171	1	51	-1.0	-50.09	399.64	9.46	-40.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020253172	0	50	-1.0	-50.63	396.51	7.71	-42.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020253172	1	50	-1.0	-50.59	396.57	7.72	-42.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020253173	0	47	-1.0	-53.01	375.86	6.93	-46.08
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020253173	1	47	-1.0	-53.04	375.92	6.95	-46.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020253174	0	50	-1.0	-47.23	395.77	8.56	-38.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020253174	1	50	-1.0	-47.25	395.83	8.57	-38.68
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020253175	0	47	-1.0	-48.06	373.19	7.03	-41.03
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020253175	1	47	-1.0	-48.09	373.25	7.05	-41.04
CC1=CC=CC(C(=O)N2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020253176	0	53	-1.0	-47.29	410.83	9.16	-38.13
CC1=CC=CC(C(=O)N2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020253176	1	53	-1.0	-47.26	410.89	9.17	-38.09
CC1=CC=CC(C(=O)N2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020253177	0	50	-1.0	-47.41	388.19	7.62	-39.79
CC1=CC=CC(C(=O)N2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020253177	1	50	-1.0	-47.41	388.25	7.65	-39.76
CCN(CC)C(=O)CN1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253178	0	57	-1.0	-49.78	441.57	6.27	-43.51
CCN(CC)C(=O)CN1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253178	1	57	-1.0	-49.79	441.63	6.28	-43.51
CCN(CC)C(=O)C[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253178	1	58	0.0	-74.90	435.65	8.56	-66.34
CCN(CC)C(=O)C[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253178	1	58	0.0	-75.07	431.55	7.48	-67.59
CCN(CC)C(=O)CN1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253179	0	54	-1.0	-48.05	413.90	4.98	-43.07
CCN(CC)C(=O)CN1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253179	1	54	-1.0	-48.05	413.96	5.01	-43.04
CCN(CC)C(=O)C[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253179	1	55	0.0	-72.67	413.17	7.74	-64.93
CCN(CC)C(=O)C[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253179	1	55	0.0	-71.04	410.76	7.11	-63.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(CC(=O)N2CCCC2)CC1	REAL300020253180	0	55	-1.0	-44.68	423.10	5.34	-39.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(CC(=O)N2CCCC2)CC1	REAL300020253180	1	55	-1.0	-44.65	423.15	5.35	-39.30
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC(=O)N2CCCC2)CC1	REAL300020253180	1	56	0.0	-75.53	417.57	6.89	-68.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1	REAL300020253180	1	56	0.0	-72.62	426.69	7.44	-65.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC(=O)N2CCCC2)CC1	REAL300020253181	0	52	-1.0	-50.09	405.22	4.50	-45.59
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC(=O)N2CCCC2)CC1	REAL300020253181	1	52	-1.0	-50.05	405.27	4.52	-45.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC(=O)N2CCCC2)CC1	REAL300020253181	1	53	0.0	-71.15	404.62	6.63	-64.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1	REAL300020253181	1	53	0.0	-73.10	399.19	7.12	-65.98
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020253182	0	44	-1.0	-43.18	360.61	5.18	-38.00
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020253182	1	44	-1.0	-43.19	360.66	5.19	-38.00
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020253183	0	41	-1.0	-43.93	337.02	4.28	-39.65
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020253183	1	41	-1.0	-43.95	337.07	4.30	-39.65
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253184	0	42	-1.0	-43.39	340.44	8.06	-35.33
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253184	1	42	-1.0	-43.42	340.50	8.07	-35.35
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253185	0	39	-1.0	-45.88	319.98	7.34	-38.54
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253185	1	39	-1.0	-45.85	319.92	7.31	-38.54
CC(C1=CC=CC=C1F)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253186	0	46	-1.0	-45.87	372.27	10.18	-35.69
CC(C1=CC=CC=C1F)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253186	1	46	-1.0	-45.81	372.30	10.17	-35.64
CC1CC1C1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C2CC2)O1	REAL300020253187	0	50	-1.0	-41.08	409.26	8.82	-32.26
CC1CC1C1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C2CC2)O1	REAL300020253187	1	50	-1.0	-41.05	409.31	8.84	-32.21
CC1CC1C1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C2CC2)O1	REAL300020253188	0	47	-1.0	-42.81	383.01	8.92	-33.89
CC1CC1C1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C2CC2)O1	REAL300020253188	1	47	-1.0	-42.81	383.07	8.95	-33.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300020253189	0	46	-1.0	-41.62	393.17	9.69	-31.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300020253189	1	46	-1.0	-41.65	393.23	9.70	-31.95
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300020253190	0	43	-1.0	-41.89	373.07	7.95	-33.94
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300020253190	1	43	-1.0	-41.93	373.13	7.97	-33.96
CC(C1=CC=CC=C1Cl)N(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC1	REAL300020253191	0	46	-1.0	-42.09	388.87	8.44	-33.65
CC(C1=CC=CC=C1Cl)N(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC1	REAL300020253191	1	46	-1.0	-42.08	388.93	8.46	-33.62
CC(C1=CC=CC=C1Cl)N(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC1	REAL300020253192	0	43	-1.0	-44.21	367.99	7.76	-36.45
CC(C1=CC=CC=C1Cl)N(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC1	REAL300020253192	1	43	-1.0	-44.24	368.05	7.78	-36.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020253193	0	44	-1.0	-41.45	340.84	5.39	-36.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020253193	1	44	-1.0	-41.45	340.89	5.41	-36.04
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020253194	0	41	-1.0	-44.50	320.30	4.65	-39.85
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020253194	1	41	-1.0	-44.49	320.34	4.67	-39.82
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020253195	0	48	-1.0	-43.03	379.74	7.31	-35.72
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020253195	1	48	-1.0	-43.00	379.80	7.30	-35.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020253196	0	49	-1.0	-42.08	399.41	10.91	-31.17
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020253196	1	49	-1.0	-42.08	399.46	10.93	-31.15
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020253197	0	46	-1.0	-45.10	378.91	10.19	-34.91
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020253197	1	46	-1.0	-45.07	378.85	10.16	-34.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020253198	0	43	-1.0	-39.48	380.47	8.76	-30.72
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020253198	1	43	-1.0	-39.50	380.53	8.77	-30.73
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020253199	0	40	-1.0	-41.37	358.96	7.97	-33.40
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020253199	1	40	-1.0	-41.35	359.02	8.00	-33.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020253200	0	43	-1.0	-41.40	369.17	7.90	-33.50
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020253200	1	43	-1.0	-41.44	369.23	7.92	-33.52
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020253201	0	40	-1.0	-44.76	342.87	7.81	-36.95
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020253201	1	40	-1.0	-44.77	342.93	7.84	-36.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1C(F)(F)F)C1CC1	REAL300020253202	0	46	-1.0	-42.54	375.03	10.06	-32.48
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1C(F)(F)F)C1CC1	REAL300020253202	1	46	-1.0	-42.50	375.08	10.07	-32.43
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1C(F)(F)F)C1CC1	REAL300020253203	0	43	-1.0	-52.01	363.88	8.79	-43.22
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1C(F)(F)F)C1CC1	REAL300020253203	1	43	-1.0	-52.03	363.94	8.82	-43.21
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020253204	0	43	-1.0	-42.10	360.81	8.76	-33.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020253204	1	43	-1.0	-42.09	360.86	8.78	-33.31
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020253205	0	40	-1.0	-41.37	348.70	7.55	-33.82
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020253205	1	40	-1.0	-41.34	348.64	7.52	-33.82
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020253206	0	47	-1.0	-42.38	400.75	10.35	-32.03
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020253206	1	47	-1.0	-42.38	400.79	10.33	-32.05
COC1=CC=CC=C1CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC1	REAL300020253207	0	47	-1.0	-42.19	378.90	7.68	-34.51
COC1=CC=CC=C1CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC1	REAL300020253207	1	47	-1.0	-42.17	378.95	7.69	-34.48
COC1=CC=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC1	REAL300020253208	0	44	-1.0	-44.77	370.38	6.84	-37.93
COC1=CC=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC1	REAL300020253208	1	44	-1.0	-44.76	370.32	6.81	-37.95
CCC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C2CC2)C=C1	REAL300020253209	0	49	-1.0	-39.84	406.64	9.68	-30.16
CCC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C2CC2)C=C1	REAL300020253209	1	49	-1.0	-39.84	406.69	9.70	-30.14
CCC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C2CC2)C=C1	REAL300020253210	0	46	-1.0	-42.61	385.16	8.92	-33.69
CCC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C2CC2)C=C1	REAL300020253210	1	46	-1.0	-42.64	385.10	8.90	-33.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020253211	0	40	-1.0	-40.69	344.78	7.83	-32.86
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020253211	1	40	-1.0	-40.70	344.84	7.85	-32.85
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020253212	0	37	-1.0	-42.29	332.19	6.60	-35.69
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020253212	1	37	-1.0	-42.27	332.14	6.58	-35.69
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020253213	0	44	-1.0	-42.49	375.45	9.75	-32.74
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020253213	1	44	-1.0	-42.44	375.48	9.74	-32.70
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253214	0	42	-1.0	-42.67	356.45	8.33	-34.34
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253214	1	42	-1.0	-42.69	356.51	8.34	-34.35
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253215	0	39	-1.0	-44.87	335.94	7.59	-37.28
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253215	1	39	-1.0	-44.85	335.88	7.57	-37.28
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253216	0	46	-1.0	-44.71	390.65	10.19	-34.52
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253216	1	46	-1.0	-44.68	390.67	10.18	-34.50
CCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253217	0	48	-1.0	-40.66	362.89	6.74	-33.92
CCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253217	1	48	-1.0	-40.67	362.94	6.75	-33.92
CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253218	0	45	-1.0	-45.01	340.40	5.91	-39.10
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253218	1	45	-1.0	-45.00	340.46	5.94	-39.06
CCC1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253219	0	52	-1.0	-43.64	382.03	9.58	-34.06
CCC1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253219	1	52	-1.0	-43.62	382.06	9.56	-34.06
CC1CCCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020253220	0	45	-1.0	-41.26	331.37	6.82	-34.44
CC1CCCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020253220	1	45	-1.0	-41.22	331.42	6.84	-34.38
CC1CCCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020253221	0	49	-1.0	-43.64	363.71	8.92	-34.72
CC1CCCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020253221	1	49	-1.0	-43.63	363.72	8.91	-34.72
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253222	0	42	-1.0	-39.88	355.41	8.60	-31.28
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253222	1	42	-1.0	-39.95	355.47	8.61	-31.34
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253223	0	39	-1.0	-40.65	328.69	7.69	-32.96
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253223	1	39	-1.0	-40.67	328.64	7.66	-33.01
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253224	0	46	-1.0	-44.99	388.29	10.45	-34.54
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253224	1	46	-1.0	-44.93	388.33	10.45	-34.48
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253225	0	39	-1.0	-44.03	321.85	5.79	-38.24
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253225	1	39	-1.0	-43.99	321.91	5.81	-38.18
CC(C1=CC=CO1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253226	0	43	-1.0	-42.78	349.53	7.93	-34.85
CC(C1=CC=CO1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253226	1	43	-1.0	-42.73	349.58	7.91	-34.82
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1C	REAL300020253227	0	43	-1.0	-43.75	335.29	7.90	-35.85
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1C	REAL300020253227	1	43	-1.0	-43.69	335.32	7.89	-35.80
COC1=CC(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=CC(OC)=C1	REAL300020253228	0	48	-1.0	-47.71	401.11	3.33	-44.38
COC1=CC(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=CC(OC)=C1	REAL300020253228	1	48	-1.0	-47.69	401.16	3.36	-44.33
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C1(CC)CC	REAL300020253229	0	55	-1.0	-41.56	411.06	8.72	-32.84
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C1(CC)CC	REAL300020253229	1	55	-1.0	-41.55	411.12	8.74	-32.81
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C1(CC)CC	REAL300020253230	0	52	-1.0	-42.31	388.73	7.90	-34.41
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C1(CC)CC	REAL300020253230	1	52	-1.0	-42.30	388.78	7.93	-34.37
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253231	0	43	-1.0	-42.42	366.69	8.72	-33.70
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253231	1	43	-1.0	-42.41	366.75	8.73	-33.68
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253232	0	40	-1.0	-44.25	351.89	7.08	-37.17
CC1C2=C(Cl)C=C(Cl)C=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253232	1	40	-1.0	-44.24	351.96	7.10	-37.14
COC1=CC=C(CN2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=O)C=C1	REAL300020253233	0	51	-1.0	-48.83	414.97	6.51	-42.32
COC1=CC=C(CN2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=O)C=C1	REAL300020253233	1	51	-1.0	-48.82	415.03	6.54	-42.28
CCOC1=CC=CC=C1CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C(C)C1	REAL300020253234	0	55	-1.0	-45.85	435.56	5.69	-40.16
CCOC1=CC=CC=C1CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)C1	REAL300020253234	1	55	-1.0	-45.86	435.62	5.71	-40.15
CCOC1=CC=CC=C1C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)C1	REAL300020253234	1	56	0.0	-64.29	417.36	9.14	-55.15
CCOC1=CC=CC=C1C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)C1	REAL300020253234	1	56	0.0	-65.87	428.26	8.33	-57.54
CC1=C(Cl)C=CC=C1N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253235	0	48	-1.0	-44.00	385.74	8.10	-35.90
CC1=C(Cl)C=CC=C1N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253235	1	48	-1.0	-44.04	385.80	8.12	-35.92
CCNS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020253236	0	44	-1.0	-50.38	369.45	1.66	-48.72
CCNS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020253236	1	44	-1.0	-50.36	369.51	1.68	-48.68
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020253237	0	41	-1.0	-54.51	344.13	0.77	-53.74
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020253237	1	41	-1.0	-54.55	344.19	0.79	-53.76
CC(C1=CC=CC(N2CCOC2=O)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253238	0	51	-1.0	-54.43	410.09	8.00	-46.43
CC(C1=CC=CC(N2CCOC2=O)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253238	1	51	-1.0	-54.43	410.14	8.01	-46.42
CC(C1=CC=CC(N2CCOC2=O)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253239	0	48	-1.0	-55.31	387.83	7.12	-48.19
CC(C1=CC=CC(N2CCOC2=O)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253239	1	48	-1.0	-55.30	387.89	7.15	-48.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020253240	0	42	-1.0	-39.61	354.61	6.61	-33.00
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020253240	1	42	-1.0	-39.63	354.67	6.63	-33.00
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020253241	0	39	-1.0	-41.47	333.11	5.83	-35.64
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020253241	1	39	-1.0	-41.50	333.17	5.85	-35.65
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020253242	0	46	-1.0	-44.30	384.43	9.79	-34.51
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020253242	1	46	-1.0	-44.30	384.47	9.76	-34.54
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020253243	0	42	-1.0	-42.12	347.91	7.04	-35.08
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020253243	1	42	-1.0	-42.10	347.97	7.05	-35.05
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020253244	0	39	-1.0	-44.18	326.41	6.24	-37.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020253244	1	39	-1.0	-44.20	326.47	6.27	-37.93
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020253245	0	46	-1.0	-44.37	378.15	9.13	-35.24
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020253245	1	46	-1.0	-44.31	378.20	9.12	-35.19
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253246	0	43	-1.0	-41.79	368.93	7.68	-34.11
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253246	1	43	-1.0	-41.82	368.98	7.69	-34.13
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253247	0	40	-1.0	-43.66	347.43	6.89	-36.77
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253247	1	40	-1.0	-43.64	347.49	6.91	-36.73
CC1CN(C2=NC=CN=C2C#N)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253248	0	47	-1.0	-48.43	398.32	3.89	-44.54
CC1CN(C2=NC=CN=C2C#N)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253248	1	47	-1.0	-48.42	398.26	3.88	-44.54
CC1CN(C2=NC=CN=C2C#N)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253249	0	44	-1.0	-51.49	366.24	4.12	-47.37
CC1CN(C2=NC=CN=C2C#N)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253249	1	44	-1.0	-51.50	366.19	4.09	-47.41
CCOC1=CC=NC(N2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020253250	0	53	-1.0	-44.48	418.19	6.92	-37.56
CCOC1=CC=NC(N2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020253250	1	53	-1.0	-44.47	418.13	6.91	-37.56
CCOC1=CC=NC(N2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020253251	0	50	-1.0	-45.45	403.48	5.76	-39.69
CCOC1=CC=NC(N2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020253251	1	50	-1.0	-45.40	403.42	5.74	-39.66
CC1C2=CC(F)=CC(F)=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253252	0	43	-1.0	-43.05	349.82	6.84	-36.21
CC1C2=CC(F)=CC(F)=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253252	1	43	-1.0	-43.04	349.88	6.85	-36.19
CC1C2=CC(F)=CC(F)=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253253	0	40	-1.0	-44.63	328.33	6.04	-38.59
CC1C2=CC(F)=CC(F)=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253253	1	40	-1.0	-44.63	328.38	6.07	-38.56
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCN(S(C)(=O)=O)CC1	REAL300020253254	0	47	-1.0	-48.66	379.93	2.62	-46.04
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCN(S(C)(=O)=O)CC1	REAL300020253254	1	47	-1.0	-48.68	379.99	2.63	-46.05
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCN(S(C)(=O)=O)CC1	REAL300020253255	0	44	-1.0	-52.55	352.02	2.10	-50.45
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCN(S(C)(=O)=O)CC1	REAL300020253255	1	44	-1.0	-52.51	352.08	2.12	-50.39
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020253256	0	46	-1.0	-41.97	340.67	5.37	-36.60
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020253256	1	46	-1.0	-42.00	340.72	5.38	-36.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020253257	0	43	-1.0	-44.02	320.13	4.59	-39.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020253257	1	43	-1.0	-44.07	320.19	4.63	-39.44
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCCCCC21	REAL300020253258	0	50	-1.0	-43.99	375.53	8.62	-35.37
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCCCCC21	REAL300020253258	1	50	-1.0	-44.85	370.39	8.13	-36.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC=C2C(F)(F)F)CC1	REAL300020253259	0	44	-1.0	-50.14	362.16	8.04	-42.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC=C2C(F)(F)F)CC1	REAL300020253259	1	44	-1.0	-50.18	362.22	8.07	-42.11
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C12CCC2	REAL300020253260	0	50	-1.0	-41.75	389.04	7.24	-34.51
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C12CCC2	REAL300020253260	1	50	-1.0	-41.82	389.09	7.26	-34.56
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C12CCC2	REAL300020253261	0	47	-1.0	-41.81	373.33	6.32	-35.49
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C12CCC2	REAL300020253261	1	47	-1.0	-41.79	373.39	6.35	-35.44
CCOC1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C12CCC2	REAL300020253262	0	54	-1.0	-44.60	423.42	9.38	-35.22
CCOC1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C12CCC2	REAL300020253262	1	54	-1.0	-44.61	423.64	9.37	-35.24
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253263	0	52	-1.0	-41.51	389.33	7.74	-33.77
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253263	1	52	-1.0	-41.57	389.39	7.75	-33.82
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253264	0	49	-1.0	-42.41	366.87	6.93	-35.48
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253264	1	49	-1.0	-42.39	366.92	6.96	-35.43
CCC1(CC)C(OC)CC1N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253265	0	56	-1.0	-43.60	420.06	9.82	-33.78
CCC1(CC)C(OC)CC1N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253265	1	56	-1.0	-43.52	420.09	9.80	-33.72
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020253266	0	40	-1.0	-44.98	337.01	6.52	-38.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020253266	1	40	-1.0	-45.06	337.06	6.53	-38.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020253267	0	37	-1.0	-48.43	315.56	5.76	-42.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020253267	1	37	-1.0	-48.43	315.50	5.74	-42.69
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020253268	0	44	-1.0	-46.40	375.12	9.53	-36.87
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020253268	1	44	-1.0	-46.42	375.16	9.52	-36.90
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020253269	0	52	-1.0	-41.75	393.27	8.51	-33.24
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020253269	1	52	-1.0	-41.79	393.33	8.52	-33.27
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020253270	0	49	-1.0	-43.84	370.15	8.00	-35.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020253270	1	49	-1.0	-43.83	370.21	8.03	-35.80
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020253271	0	56	-1.0	-44.05	422.64	10.86	-33.19
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020253271	1	56	-1.0	-44.04	422.67	10.83	-33.21
CC(C1=CC=CC(C(F)(F)F)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253272	0	45	-1.0	-43.43	378.45	8.81	-34.62
CC(C1=CC=CC(C(F)(F)F)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253272	1	45	-1.0	-43.40	378.51	8.83	-34.57
CC(C1=CC=CC(C(F)(F)F)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253273	0	42	-1.0	-45.22	357.91	8.05	-37.17
CC(C1=CC=CC(C(F)(F)F)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253273	1	42	-1.0	-45.23	357.97	8.08	-37.15
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253274	0	45	-1.0	-40.77	350.13	8.48	-32.29
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253274	1	45	-1.0	-40.79	350.18	8.49	-32.30
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253275	0	42	-1.0	-43.64	329.66	7.76	-35.88
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253275	1	42	-1.0	-43.61	329.61	7.73	-35.88
CC1=CC=CC=C1C(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253276	0	49	-1.0	-43.14	381.95	10.60	-32.54
CC1=CC=CC=C1C(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253276	1	49	-1.0	-43.19	381.98	10.59	-32.60
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253277	0	42	-1.0	-43.29	350.65	7.92	-35.37
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253277	1	42	-1.0	-43.27	350.70	7.93	-35.34
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253278	0	39	-1.0	-44.14	326.41	7.41	-36.73
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253278	1	39	-1.0	-44.12	326.35	7.38	-36.74
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253279	0	46	-1.0	-45.95	382.42	10.07	-35.88
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253279	1	46	-1.0	-45.97	382.44	10.06	-35.91
CC1=CC=CC(CN(CC2=CC=CO2)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020253280	0	49	-1.0	-42.81	398.83	8.86	-33.95
CC1=CC=CC(CN(CC2=CC=CO2)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020253280	1	49	-1.0	-42.88	398.89	8.88	-34.00
CC1=CC=CC(CN(CC2=CC=CO2)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020253281	0	46	-1.0	-45.78	379.44	8.14	-37.64
CC1=CC=CC(CN(CC2=CC=CO2)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020253281	1	46	-1.0	-45.78	379.37	8.11	-37.67
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020253282	0	43	-1.0	-43.36	365.64	9.45	-33.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020253282	1	43	-1.0	-43.35	365.70	9.47	-33.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020253283	0	40	-1.0	-45.79	344.20	8.69	-37.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020253283	1	40	-1.0	-45.83	344.14	8.67	-37.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020253284	0	43	-1.0	-42.14	356.72	7.37	-34.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020253284	1	43	-1.0	-42.16	356.78	7.39	-34.77
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020253285	0	40	-1.0	-43.69	335.23	6.60	-37.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020253285	1	40	-1.0	-43.66	335.29	6.62	-37.04
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C(C)(C)C)C=C1	REAL300020253286	0	55	-1.0	-42.81	424.34	11.00	-31.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C(C)(C)C)C=C1	REAL300020253286	1	55	-1.0	-42.80	424.40	11.02	-31.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C(C)(C)C)C=C1	REAL300020253287	0	52	-1.0	-40.39	392.58	8.86	-31.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C(C)(C)C)C=C1	REAL300020253287	1	52	-1.0	-40.33	392.63	8.87	-31.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020253288	0	43	-1.0	-40.06	357.64	7.42	-32.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020253288	1	43	-1.0	-40.06	357.69	7.43	-32.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020253289	0	40	-1.0	-40.67	336.50	6.67	-34.00
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020253289	1	40	-1.0	-40.67	336.45	6.64	-34.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020253290	0	43	-1.0	-43.03	383.75	9.74	-33.29
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020253290	1	43	-1.0	-43.03	383.81	9.75	-33.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020253291	0	40	-1.0	-46.28	352.66	8.16	-38.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020253291	1	40	-1.0	-46.29	352.72	8.19	-38.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020253292	0	49	-1.0	-40.11	360.97	7.14	-32.97
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020253292	1	49	-1.0	-40.12	361.02	7.16	-32.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020253293	0	46	-1.0	-44.29	344.95	7.91	-36.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020253293	1	46	-1.0	-44.33	345.01	7.93	-36.40
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCCCC1	REAL300020253294	0	53	-1.0	-42.14	393.12	9.27	-32.87
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCCCC1	REAL300020253294	1	53	-1.0	-42.09	393.16	9.27	-32.82
CC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253295	0	46	-1.0	-42.92	367.55	9.27	-33.65
CC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253295	1	46	-1.0	-42.91	367.61	9.29	-33.62
CC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253296	0	43	-1.0	-46.24	346.29	8.74	-37.50
CC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253296	1	43	-1.0	-46.28	346.23	8.72	-37.56
CC1=CC=CC=C1C1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253297	0	50	-1.0	-45.00	398.70	11.57	-33.43
CC1=CC=CC=C1C1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253297	1	50	-1.0	-45.01	398.74	11.56	-33.45
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020253298	0	46	-1.0	-40.77	362.51	7.58	-33.19
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020253298	1	46	-1.0	-40.76	362.56	7.59	-33.17
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020253299	0	43	-1.0	-42.03	340.89	6.81	-35.22
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020253299	1	43	-1.0	-42.06	340.84	6.79	-35.27
CC1=CC=CC(C2CCCN2C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020253300	0	50	-1.0	-45.07	404.21	11.50	-33.57
CC1=CC=CC(C2CCCN2C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020253300	1	50	-1.0	-45.09	404.26	11.49	-33.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020253301	0	40	-1.0	-42.70	332.83	6.83	-35.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020253301	1	40	-1.0	-42.78	332.88	6.84	-35.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020253302	0	37	-1.0	-43.23	318.11	6.53	-36.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020253302	1	37	-1.0	-43.21	318.05	6.50	-36.71
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020253303	0	44	-1.0	-44.22	370.68	9.60	-34.62
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020253303	1	44	-1.0	-44.20	370.73	9.59	-34.61
CC(C)N(CC1=CC=CC(Br)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253304	0	42	-1.0	-48.23	353.74	6.55	-41.68
CC(C)N(CC1=CC=CC(Br)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253304	1	42	-1.0	-48.22	353.78	6.58	-41.64
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253305	0	45	-1.0	-41.29	368.85	7.64	-33.65
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253305	1	45	-1.0	-41.31	368.91	7.66	-33.65
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253306	0	42	-1.0	-53.68	338.90	6.03	-47.65
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253306	1	42	-1.0	-53.64	338.85	6.01	-47.63
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253307	0	49	-1.0	-48.21	392.88	9.00	-39.21
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253307	1	49	-1.0	-48.16	392.85	9.00	-39.16
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253308	0	45	-1.0	-40.07	366.98	7.75	-32.32
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253308	1	45	-1.0	-40.10	367.04	7.76	-32.34
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253309	0	42	-1.0	-42.14	344.51	6.85	-35.29
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253309	1	42	-1.0	-42.18	344.45	6.83	-35.35
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253310	0	49	-1.0	-42.44	398.48	9.67	-32.77
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253310	1	49	-1.0	-42.42	398.53	9.66	-32.76
CC(C)N(CC1=CC=C(Br)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253311	0	42	-1.0	-41.81	359.33	7.39	-34.42
CC(C)N(CC1=CC=C(Br)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253311	1	42	-1.0	-41.81	359.40	7.41	-34.40
CCN(CC1=CC=CC(Br)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253312	0	42	-1.0	-40.24	360.00	8.79	-31.45
CCN(CC1=CC=CC(Br)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253312	1	42	-1.0	-40.27	360.05	8.81	-31.46
CCN(CC1=CC=CC(Br)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253313	0	39	-1.0	-43.24	339.44	8.03	-35.21
CCN(CC1=CC=CC(Br)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253313	1	39	-1.0	-43.27	339.49	8.06	-35.21
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253314	0	45	-1.0	-42.53	352.52	8.99	-33.54
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253314	1	45	-1.0	-42.55	352.58	9.01	-33.54
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253315	0	42	-1.0	-42.59	343.32	7.53	-35.06
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253315	1	42	-1.0	-42.57	343.26	7.50	-35.07
CCN(CC1=CC=CC=C1C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253316	0	49	-1.0	-41.95	396.98	10.37	-31.58
CCN(CC1=CC=CC=C1C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253316	1	49	-1.0	-41.93	397.03	10.36	-31.57
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253317	0	42	-1.0	-40.30	355.44	8.69	-31.61
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253317	1	42	-1.0	-40.31	355.50	8.70	-31.61
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253318	0	39	-1.0	-43.38	334.93	7.95	-35.43
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253318	1	39	-1.0	-43.37	334.87	7.93	-35.44
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253319	0	46	-1.0	-42.41	396.78	9.55	-32.86
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253319	1	46	-1.0	-42.36	396.84	9.54	-32.82
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253320	0	42	-1.0	-43.16	354.05	7.41	-35.75
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253320	1	42	-1.0	-43.20	354.11	7.43	-35.77
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253321	0	39	-1.0	-47.60	333.55	6.68	-40.92
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253321	1	39	-1.0	-47.56	333.49	6.65	-40.91
CCN(CC1=CC=CC=C1Cl)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253322	0	46	-1.0	-44.26	386.32	9.60	-34.66
CCN(CC1=CC=CC=C1Cl)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253322	1	46	-1.0	-44.28	386.36	9.59	-34.69
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020253323	0	45	-1.0	-44.62	382.67	9.36	-35.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020253323	1	45	-1.0	-44.64	382.72	9.37	-35.27
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020253324	0	42	-1.0	-43.10	370.45	8.13	-34.97
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020253324	1	42	-1.0	-43.11	370.51	8.15	-34.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020253325	0	45	-1.0	-46.60	382.62	9.37	-37.23
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020253325	1	45	-1.0	-46.60	382.68	9.38	-37.22
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020253326	0	42	-1.0	-48.90	370.45	8.13	-40.77
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020253326	1	42	-1.0	-48.92	370.51	8.15	-40.77
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020253327	0	45	-1.0	-41.20	367.52	7.87	-33.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020253327	1	45	-1.0	-41.18	367.58	7.89	-33.29
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020253328	0	42	-1.0	-44.97	346.43	7.11	-37.86
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020253328	1	42	-1.0	-44.95	346.37	7.09	-37.86
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C(C)C	REAL300020253329	0	47	-1.0	-41.66	362.86	6.59	-35.07
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C(C)C	REAL300020253329	1	47	-1.0	-41.67	362.91	6.60	-35.07
CCCCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C(C)C	REAL300020253330	0	51	-1.0	-42.17	389.64	9.80	-32.37
CCCCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C(C)C	REAL300020253330	1	51	-1.0	-42.16	389.68	9.79	-32.37
CC(C)N(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253331	0	45	-1.0	-40.65	379.18	8.09	-32.56
CC(C)N(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253331	1	45	-1.0	-40.66	379.23	8.10	-32.56
CC(C)N(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253332	0	42	-1.0	-49.38	349.24	6.47	-42.91
CC(C)N(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253332	1	42	-1.0	-49.39	349.18	6.45	-42.94
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253333	0	42	-1.0	-41.85	359.06	8.37	-33.48
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253333	1	42	-1.0	-41.87	359.12	8.38	-33.49
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253334	0	39	-1.0	-42.53	338.95	7.70	-34.83
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253334	1	39	-1.0	-42.49	338.89	7.68	-34.81
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253335	0	46	-1.0	-43.93	392.05	10.51	-33.42
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253335	1	46	-1.0	-43.90	392.06	10.50	-33.40
CC(C)N(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253336	0	42	-1.0	-40.06	340.68	7.28	-32.78
CC(C)N(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253336	1	42	-1.0	-40.06	340.74	7.30	-32.76
CC(C)N(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253337	0	39	-1.0	-42.79	320.17	6.55	-36.24
CC(C)N(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253337	1	39	-1.0	-42.76	320.11	6.53	-36.23
CC(C)N(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253338	0	46	-1.0	-42.92	372.08	9.21	-33.71
CC(C)N(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253338	1	46	-1.0	-42.91	372.08	9.20	-33.71
CN(CC(=O)N1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253339	0	44	-1.0	-42.41	351.23	3.51	-38.90
CN(CC(=O)N1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253339	1	44	-1.0	-42.44	351.29	3.52	-38.92
CN(CC(=O)N1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253340	0	41	-1.0	-45.29	330.68	2.72	-42.57
CN(CC(=O)N1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253340	1	41	-1.0	-45.28	330.73	2.75	-42.53
CN(CC(=O)N1CCOCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253341	0	48	-1.0	-45.06	383.01	5.62	-39.44
CN(CC(=O)N1CCOCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253341	1	48	-1.0	-45.03	383.04	5.61	-39.42
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCS(=O)(=O)C1	REAL300020253342	0	39	-1.0	-52.55	324.01	2.08	-50.47
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCS(=O)(=O)C1	REAL300020253342	1	39	-1.0	-52.55	324.07	2.09	-50.46
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCS(=O)(=O)C1	REAL300020253343	0	36	-1.0	-48.52	302.63	1.32	-47.20
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCS(=O)(=O)C1	REAL300020253343	1	36	-1.0	-48.53	302.69	1.35	-47.18
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCS(=O)(=O)C1	REAL300020253344	0	43	-1.0	-54.76	359.47	3.94	-50.82
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCS(=O)(=O)C1	REAL300020253344	1	43	-1.0	-54.66	359.51	3.92	-50.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020253345	0	52	-1.0	-44.39	421.48	10.32	-34.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020253345	1	52	-1.0	-44.40	421.53	10.34	-34.06
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020253346	0	49	-1.0	-47.62	410.66	10.55	-37.07
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020253346	1	49	-1.0	-47.66	410.61	10.52	-37.14
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020253347	0	46	-1.0	-42.67	385.02	6.17	-36.50
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020253347	1	46	-1.0	-42.73	385.08	6.19	-36.54
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020253348	0	43	-1.0	-46.16	357.06	5.63	-40.53
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020253348	1	43	-1.0	-46.20	357.11	5.65	-40.55
COC1=CC2=C(C=C1OC)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020253349	0	48	-1.0	-47.01	384.01	5.62	-41.39
COC1=CC2=C(C=C1OC)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020253349	1	48	-1.0	-46.98	384.07	5.63	-41.35
COC1=CC2=C(C=C1OC)CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020253350	0	45	-1.0	-49.12	362.51	4.83	-44.29
COC1=CC2=C(C=C1OC)CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020253350	1	45	-1.0	-49.14	362.57	4.86	-44.28
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCS(=O)(=O)C1	REAL300020253351	0	42	-1.0	-48.55	338.93	2.57	-45.98
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCS(=O)(=O)C1	REAL300020253351	1	42	-1.0	-48.55	338.99	2.59	-45.96
CCN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCS(=O)(=O)C1	REAL300020253352	0	39	-1.0	-49.23	319.13	1.84	-47.39
CCN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCS(=O)(=O)C1	REAL300020253352	1	39	-1.0	-49.23	319.19	1.86	-47.37
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCS(=O)(=O)C1	REAL300020253353	0	46	-1.0	-51.60	370.85	4.69	-46.91
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCS(=O)(=O)C1	REAL300020253353	1	46	-1.0	-51.58	370.90	4.69	-46.89
CC1=CC=CC(C)=C1NC(=O)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253354	0	49	-1.0	-42.25	400.79	7.07	-35.18
CC1=CC=CC(C)=C1NC(=O)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253354	1	49	-1.0	-42.22	400.85	7.09	-35.13
CC1=CC=CC(C)=C1NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253355	0	46	-1.0	-42.76	378.31	6.26	-36.50
CC1=CC=CC(C)=C1NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253355	1	46	-1.0	-42.75	378.37	6.28	-36.47
CCN(CC1COC2=CC=CC=C2O1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253356	0	48	-1.0	-47.19	382.80	7.54	-39.65
CCN(CC1COC2=CC=CC=C2O1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253356	1	48	-1.0	-47.25	382.86	7.56	-39.69
CCN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253357	0	45	-1.0	-47.55	362.73	5.43	-42.12
CCN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253357	1	45	-1.0	-47.52	362.79	5.45	-42.07
CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1C	REAL300020253358	0	49	-1.0	-42.67	397.90	6.82	-35.85
CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1C	REAL300020253358	1	49	-1.0	-42.67	397.96	6.83	-35.84
CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1C	REAL300020253359	0	46	-1.0	-44.88	376.93	6.12	-38.76
CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1C	REAL300020253359	1	46	-1.0	-44.93	376.99	6.15	-38.78
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253360	0	49	-1.0	-42.66	395.16	7.35	-35.31
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253360	1	49	-1.0	-42.66	395.22	7.36	-35.30
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253361	0	46	-1.0	-44.20	380.16	6.34	-37.86
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253361	1	46	-1.0	-44.26	380.22	6.37	-37.89
CC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253362	0	45	-1.0	-40.81	343.27	6.07	-34.74
CC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253362	1	45	-1.0	-40.82	343.33	6.09	-34.73
CC1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253363	0	49	-1.0	-43.16	371.38	8.74	-34.42
CC1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253363	1	49	-1.0	-43.14	371.47	8.73	-34.41
CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253364	0	39	-1.0	-41.40	329.33	6.07	-35.33
CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253364	1	39	-1.0	-41.42	329.38	6.09	-35.33
CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253365	0	36	-1.0	-44.39	309.97	5.37	-39.02
CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253365	1	36	-1.0	-44.39	309.92	5.34	-39.05
CCN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253366	0	43	-1.0	-43.85	361.26	8.20	-35.65
CCN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253366	1	43	-1.0	-43.83	361.30	8.19	-35.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020253367	0	45	-1.0	-44.14	365.28	5.67	-38.47
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020253367	1	45	-1.0	-44.20	365.34	5.69	-38.51
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020253368	0	42	-1.0	-45.16	350.77	5.43	-39.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020253368	1	42	-1.0	-45.17	350.82	5.45	-39.72
CCOC1=CC2=C(C=C1OCC)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020253369	0	54	-1.0	-46.91	427.71	7.46	-39.45
CCOC1=CC2=C(C=C1OCC)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020253369	1	54	-1.0	-46.94	427.77	7.48	-39.46
CCOC1=CC2=C(C=C1OCC)CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020253370	0	51	-1.0	-49.08	406.21	6.68	-42.40
CCOC1=CC2=C(C=C1OCC)CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020253370	1	51	-1.0	-49.09	406.28	6.70	-42.39
COC(C1=CC=CC=C1Cl)C(C)NC1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253371	0	46	-1.0	-43.62	394.12	8.62	-35.00
COC(C1=CC=CC=C1Cl)C(C)NC1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253371	1	46	-1.0	-43.65	394.18	8.63	-35.02
COC(C1=CC=CC=C1Cl)C(C)NC1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253372	0	43	-1.0	-45.79	372.56	7.83	-37.96
COC(C1=CC=CC=C1Cl)C(C)NC1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253372	1	43	-1.0	-45.81	372.62	7.86	-37.95
CN(CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253373	0	44	-1.0	-48.74	372.69	8.65	-40.09
CN(CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253373	1	44	-1.0	-48.67	372.75	8.66	-40.01
CN(CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253374	0	41	-1.0	-52.94	352.14	7.90	-45.04
CN(CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253374	1	41	-1.0	-52.90	352.20	7.93	-44.97
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253375	0	45	-1.0	-44.81	378.07	4.95	-39.86
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253375	1	45	-1.0	-44.80	378.13	4.97	-39.83
C#CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253376	0	42	-1.0	-47.69	351.56	4.24	-43.45
C#CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253376	1	42	-1.0	-47.67	351.62	4.26	-43.41
C#CCNC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253377	0	49	-1.0	-46.22	410.69	6.89	-39.33
C#CCNC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253377	1	49	-1.0	-46.20	410.77	6.87	-39.33
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(S(C)(=O)=O)C=C2CC1	REAL300020253378	0	46	-1.0	-51.42	373.53	3.98	-47.44
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(S(C)(=O)=O)C=C2CC1	REAL300020253378	1	46	-1.0	-51.42	373.59	4.00	-47.42
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253379	0	44	-1.0	-50.87	366.50	3.40	-47.47
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253379	1	44	-1.0	-50.88	366.56	3.42	-47.46
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253380	0	41	-1.0	-52.53	344.63	2.86	-49.67
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253380	1	41	-1.0	-52.48	344.69	2.89	-49.59
CCS(=O)(=O)CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253381	0	48	-1.0	-51.42	397.11	5.73	-45.69
CCS(=O)(=O)CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253381	1	48	-1.0	-51.43	397.16	5.72	-45.71
CC(C(C)S(C)(=O)=O)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253382	0	44	-1.0	-54.45	349.47	3.20	-51.25
CC(C(C)S(C)(=O)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253382	1	44	-1.0	-54.47	349.53	3.21	-51.26
CC(C(C)S(C)(=O)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253383	0	41	-1.0	-52.57	335.51	2.39	-50.18
CC(C(C)S(C)(=O)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253383	1	41	-1.0	-52.60	335.57	2.41	-50.19
CC(C(C)S(C)(=O)=O)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253384	0	48	-1.0	-55.29	388.68	4.99	-50.30
CC(C(C)S(C)(=O)=O)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253384	1	48	-1.0	-55.28	388.75	4.97	-50.31
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253385	0	43	-1.0	-42.64	341.57	6.86	-35.78
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253385	1	43	-1.0	-42.60	341.63	6.88	-35.72
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253386	0	40	-1.0	-45.61	321.77	6.15	-39.46
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253386	1	40	-1.0	-45.63	321.71	6.13	-39.50
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253387	0	47	-1.0	-45.04	374.08	8.97	-36.07
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253387	1	47	-1.0	-45.00	374.12	8.96	-36.04
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC21	REAL300020253388	0	41	-1.0	-43.73	325.90	6.06	-37.67
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC21	REAL300020253388	1	41	-1.0	-43.75	325.95	6.04	-37.71
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253389	0	48	-1.0	-43.01	389.63	8.50	-34.51
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253389	1	48	-1.0	-43.03	389.69	8.51	-34.52
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253390	0	45	-1.0	-45.42	369.39	7.74	-37.68
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253390	1	45	-1.0	-45.50	369.44	7.76	-37.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020253391	0	46	-1.0	-43.07	385.59	8.53	-34.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020253391	1	46	-1.0	-43.09	385.65	8.54	-34.55
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020253392	0	43	-1.0	-43.71	364.44	7.88	-35.83
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020253392	1	43	-1.0	-43.72	364.50	7.90	-35.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020253393	0	51	-1.0	-39.99	372.96	7.60	-32.39
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020253393	1	51	-1.0	-39.99	373.02	7.61	-32.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020253394	0	48	-1.0	-42.77	350.65	6.79	-35.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020253394	1	48	-1.0	-42.79	350.70	6.81	-35.98
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020253395	0	55	-1.0	-43.46	398.37	9.89	-33.57
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020253395	1	55	-1.0	-43.43	398.39	9.89	-33.54
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253396	0	48	-1.0	-39.93	355.66	7.89	-32.04
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253396	1	48	-1.0	-39.91	355.71	7.90	-32.01
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253397	0	45	-1.0	-41.69	334.20	7.16	-34.53
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253397	1	45	-1.0	-41.72	334.25	7.18	-34.54
CC(C)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253398	0	52	-1.0	-42.62	387.69	10.06	-32.56
CC(C)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253398	1	52	-1.0	-42.62	387.73	10.06	-32.56
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253399	0	38	-1.0	-41.60	321.52	7.19	-34.41
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253399	1	38	-1.0	-41.56	321.57	7.18	-34.38
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253400	0	53	0.0	-69.13	389.40	6.52	-62.61
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253400	1	53	0.0	-69.42	384.08	6.44	-62.98
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253400	1	53	0.0	-69.14	389.45	6.53	-62.61
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253400	1	53	0.0	-69.40	384.14	6.45	-62.95
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253401	0	50	0.0	-67.68	377.33	4.71	-62.97
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253401	1	50	0.0	-68.92	362.61	5.65	-63.27
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253401	1	50	0.0	-67.70	377.39	4.73	-62.97
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253401	1	50	0.0	-68.94	362.67	5.68	-63.26
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020253402	0	44	-1.0	-42.63	354.31	7.00	-35.63
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020253402	1	44	-1.0	-42.66	354.37	7.02	-35.64
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020253403	0	41	-1.0	-46.74	330.77	5.14	-41.60
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020253403	1	41	-1.0	-46.71	330.71	5.11	-41.60
COC1=CC=CC2=C1CCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020253404	0	48	-1.0	-44.87	385.43	9.11	-35.76
COC1=CC=CC2=C1CCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020253404	1	48	-1.0	-44.88	385.24	9.09	-35.79
CC(C1=CC=C(C2=CC=CC=C2)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253405	0	52	-1.0	-41.68	412.90	11.48	-30.20
CC(C1=CC=C(C2=CC=CC=C2)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253405	1	52	-1.0	-41.72	412.96	11.49	-30.23
CC(C1=CC=C(C2=CC=CC=C2)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253406	0	49	-1.0	-44.34	391.42	10.70	-33.64
CC(C1=CC=C(C2=CC=CC=C2)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253406	1	49	-1.0	-44.37	391.46	10.72	-33.65
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020253407	0	45	-1.0	-39.15	337.79	7.98	-31.17
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020253407	1	45	-1.0	-39.15	337.85	7.99	-31.16
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020253408	0	49	-1.0	-41.36	369.43	10.04	-31.32
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020253408	1	49	-1.0	-41.34	369.46	10.03	-31.31
CC1=NSC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020253409	0	43	-1.0	-42.36	368.01	4.48	-37.88
CC1=NSC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020253409	1	43	-1.0	-42.38	368.07	4.49	-37.89
CC1=NSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020253410	0	40	-1.0	-44.86	341.11	3.94	-40.92
CC1=NSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020253410	1	40	-1.0	-44.88	341.17	3.96	-40.92
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253411	0	52	-1.0	-41.73	399.32	9.30	-32.43
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253411	1	52	-1.0	-41.75	399.37	9.32	-32.43
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253412	0	49	-1.0	-45.20	376.64	8.54	-36.66
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253412	1	49	-1.0	-45.23	376.70	8.56	-36.67
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253413	0	49	-1.0	-42.31	385.38	9.51	-32.80
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253413	1	49	-1.0	-42.31	385.44	9.52	-32.79
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253414	0	46	-1.0	-43.50	367.15	7.89	-35.61
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253414	1	46	-1.0	-43.54	367.22	7.92	-35.62
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253415	0	46	-1.0	-40.37	365.76	8.49	-31.88
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253415	1	46	-1.0	-40.38	365.82	8.50	-31.88
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253416	0	43	-1.0	-45.29	340.92	7.87	-37.42
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253416	1	43	-1.0	-45.29	340.84	7.85	-37.44
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253417	0	50	-1.0	-44.28	392.74	10.70	-33.58
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253417	1	50	-1.0	-44.26	392.77	10.70	-33.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020253418	0	44	-1.0	-40.37	383.04	9.48	-30.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020253418	1	44	-1.0	-40.38	383.09	9.49	-30.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020253419	0	41	-1.0	-46.58	355.92	7.67	-38.91
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020253419	1	41	-1.0	-46.57	355.98	7.69	-38.88
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020253420	0	49	-1.0	-43.07	389.17	10.17	-32.90
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020253420	1	49	-1.0	-43.07	389.23	10.18	-32.89
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020253421	0	46	-1.0	-46.54	367.70	9.41	-37.13
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020253421	1	46	-1.0	-46.54	367.64	9.38	-37.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020253422	0	52	-1.0	-40.81	364.13	9.27	-31.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020253422	1	52	-1.0	-40.84	364.19	9.29	-31.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020253423	0	49	-1.0	-43.16	342.64	8.48	-34.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020253423	1	49	-1.0	-43.19	342.70	8.51	-34.68
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020253424	0	56	-1.0	-42.43	402.79	11.08	-31.35
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020253424	1	56	-1.0	-42.34	402.85	11.06	-31.28
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253425	0	48	-1.0	-40.95	389.32	9.53	-31.42
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253425	1	48	-1.0	-40.97	389.38	9.54	-31.43
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253426	0	45	-1.0	-44.04	368.81	8.76	-35.28
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253426	1	45	-1.0	-44.05	368.86	8.78	-35.27
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253427	0	40	-1.0	-41.09	328.79	6.40	-34.69
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253427	1	40	-1.0	-41.08	328.84	6.41	-34.67
CC1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253428	0	44	-1.0	-42.74	360.55	8.44	-34.30
CC1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253428	1	44	-1.0	-42.72	360.60	8.43	-34.29
CN(CCCCCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253429	0	46	-1.0	-43.73	377.87	5.05	-38.68
CN(CCCCCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253429	1	46	-1.0	-43.76	377.91	5.05	-38.71
COCCN(CC1=CC=C(C)O1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253430	0	46	-1.0	-44.56	377.59	5.21	-39.35
COCCN(CC1=CC=C(C)O1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253430	1	46	-1.0	-44.56	377.65	5.22	-39.34
COCCN(CC1=CC=C(C)O1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253431	0	43	-1.0	-47.64	357.14	4.45	-43.19
COCCN(CC1=CC=C(C)O1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253431	1	43	-1.0	-47.70	357.19	4.47	-43.23
COCCN(CC1=CC=C(C)O1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253432	0	50	-1.0	-46.63	409.97	7.11	-39.52
COCCN(CC1=CC=C(C)O1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253432	1	50	-1.0	-46.58	410.00	7.11	-39.47
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020253433	0	44	-1.0	-43.99	357.90	7.82	-36.17
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020253433	1	44	-1.0	-44.02	357.95	7.83	-36.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020253434	0	41	-1.0	-46.41	336.46	7.06	-39.35
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020253434	1	41	-1.0	-46.42	336.40	7.03	-39.39
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020253435	0	48	-1.0	-46.17	389.00	9.90	-36.27
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020253435	1	48	-1.0	-46.24	388.79	9.89	-36.35
CC1=NSC(N2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020253436	0	46	-1.0	-44.42	375.71	6.05	-38.37
CC1=NSC(N2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020253436	1	46	-1.0	-44.45	375.77	6.07	-38.38
CC1=NSC(N2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020253437	0	43	-1.0	-45.88	354.21	5.27	-40.61
CC1=NSC(N2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020253437	1	43	-1.0	-45.87	354.27	5.29	-40.58
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2N2CCOC2=O)C1	REAL300020253438	0	49	-1.0	-50.74	399.88	8.54	-42.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2N2CCOC2=O)C1	REAL300020253438	1	49	-1.0	-50.75	399.94	8.56	-42.19
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2N2CCOC2=O)C1	REAL300020253439	0	46	-1.0	-53.00	378.38	7.76	-45.24
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2N2CCOC2=O)C1	REAL300020253439	1	46	-1.0	-53.02	378.44	7.78	-45.24
CC1CCC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020253440	0	46	-1.0	-42.51	365.38	7.75	-34.76
CC1CCC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020253440	1	46	-1.0	-42.48	365.44	7.73	-34.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)NC(=O)NC2=O)CC1	REAL300020253441	0	48	-1.0	-46.82	379.22	2.25	-44.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)NC(=O)NC2=O)CC1	REAL300020253441	1	48	-1.0	-46.87	379.27	2.26	-44.61
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)NC(=O)NC2=O)CC1	REAL300020253442	0	45	-1.0	-48.90	358.82	1.49	-47.41
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)NC(=O)NC2=O)CC1	REAL300020253442	1	45	-1.0	-48.88	358.88	1.52	-47.36
CC1C2=CC=CC=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253443	0	43	-1.0	-42.12	338.95	6.76	-35.36
CC1C2=CC=CC=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253443	1	43	-1.0	-42.11	339.01	6.78	-35.33
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253444	0	40	-1.0	-43.56	316.73	7.31	-36.25
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253444	1	40	-1.0	-43.58	316.67	7.29	-36.29
CC1C2=CC=CC=C2CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253445	0	47	-1.0	-43.61	373.25	9.83	-33.78
CC1C2=CC=CC=C2CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253445	1	47	-1.0	-43.63	373.29	9.82	-33.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020253446	0	52	-1.0	-41.67	411.79	9.39	-32.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020253446	1	52	-1.0	-41.67	411.85	9.41	-32.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020253447	0	49	-1.0	-45.48	386.40	9.15	-36.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020253447	1	49	-1.0	-45.51	386.46	9.18	-36.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020253448	0	55	-1.0	-41.88	409.81	9.07	-32.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020253448	1	55	-1.0	-41.89	409.87	9.09	-32.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020253449	0	52	-1.0	-47.48	382.06	8.41	-39.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020253449	1	52	-1.0	-47.43	382.12	8.44	-38.99
COC(=O)C1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020253450	0	46	-1.0	-46.59	380.07	7.08	-39.51
COC(=O)C1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020253450	1	46	-1.0	-46.60	380.13	7.10	-39.50
COC(=O)C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020253451	0	43	-1.0	-49.66	358.56	6.30	-43.36
COC(=O)C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020253451	1	43	-1.0	-49.63	358.63	6.32	-43.31
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CSC(Br)=C1)C1CC1	REAL300020253452	0	37	-1.0	-43.14	344.34	7.50	-35.64
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CSC(Br)=C1)C1CC1	REAL300020253452	1	37	-1.0	-43.17	344.40	7.52	-35.65
CC(=O)NC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253453	0	49	-1.0	-48.65	389.41	4.00	-44.65
CC(=O)NC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253453	1	49	-1.0	-48.62	389.47	4.02	-44.60
CC(=O)NC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253454	0	46	-1.0	-49.30	369.19	3.27	-46.03
CC(=O)NC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253454	1	46	-1.0	-49.31	369.24	3.30	-46.01
CC(=O)NC1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253455	0	53	-1.0	-50.99	417.21	6.68	-44.31
CC(=O)NC1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253455	1	53	-1.0	-50.90	417.30	6.66	-44.24
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253456	0	44	-1.0	-44.15	357.63	8.53	-35.62
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253456	1	44	-1.0	-44.11	357.65	8.53	-35.58
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253457	0	43	-1.0	-43.80	360.94	7.16	-36.64
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253457	1	43	-1.0	-43.77	361.00	7.17	-36.60
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253458	0	40	-1.0	-45.00	341.10	6.55	-38.45
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253458	1	40	-1.0	-44.99	341.04	6.53	-38.46
C=CCN(CCC1=CC=CO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253459	0	47	-1.0	-45.08	396.74	8.93	-36.15
C=CCN(CCC1=CC=CO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253459	1	47	-1.0	-45.09	396.79	8.92	-36.17
CC1CN(C2=CC=CC=C2F)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253460	0	48	-1.0	-43.48	381.54	7.27	-36.21
CC1CN(C2=CC=CC=C2F)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253460	1	48	-1.0	-43.51	381.60	7.29	-36.22
CC1CN(C2=CC=CC=C2F)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253461	0	45	-1.0	-45.40	364.92	5.29	-40.11
CC1CN(C2=CC=CC=C2F)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253461	1	45	-1.0	-45.40	364.98	5.32	-40.08
CN1C=NN=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253462	0	42	-1.0	-48.53	344.63	6.98	-41.55
CN1C=NN=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253462	1	42	-1.0	-48.51	344.69	7.00	-41.51
CN1C=NN=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253463	0	39	-1.0	-47.68	328.66	6.38	-41.30
CN1C=NN=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253463	1	39	-1.0	-47.68	328.61	6.36	-41.32
CN1C=NN=C1C1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253464	0	46	-1.0	-45.44	380.93	9.20	-36.24
CN1C=NN=C1C1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253464	1	46	-1.0	-45.38	380.90	9.19	-36.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020253465	0	47	-1.0	-45.01	373.44	6.55	-38.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020253465	1	47	-1.0	-45.01	373.38	6.53	-38.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020253466	0	44	-1.0	-45.09	356.44	5.87	-39.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020253466	1	44	-1.0	-45.08	356.39	5.84	-39.24
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020253467	0	55	0.0	-66.94	407.73	10.08	-56.86
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020253467	1	55	0.0	-65.39	413.31	9.93	-55.46
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020253467	1	55	0.0	-66.97	407.79	10.09	-56.88
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020253467	1	55	0.0	-65.44	413.37	9.95	-55.49
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020253468	0	52	0.0	-67.22	386.24	9.29	-57.93
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020253468	1	52	0.0	-68.16	383.70	8.66	-59.50
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020253468	1	52	0.0	-67.23	386.29	9.32	-57.91
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020253468	1	52	0.0	-68.18	383.76	8.68	-59.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020253469	0	46	-1.0	-43.88	376.65	9.07	-34.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020253469	1	46	-1.0	-43.88	376.71	9.08	-34.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020253470	0	43	-1.0	-45.98	356.24	8.31	-37.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020253470	1	43	-1.0	-45.98	356.29	8.33	-37.65
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020253471	0	40	-1.0	-39.88	334.09	6.74	-33.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020253471	1	40	-1.0	-39.87	334.15	6.75	-33.12
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020253472	0	37	-1.0	-41.93	312.61	5.96	-35.97
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020253472	1	37	-1.0	-41.95	312.67	5.98	-35.97
CN(CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1)S(C)(=O)=O	REAL300020253473	0	50	-1.0	-50.15	396.47	3.82	-46.33
CN(CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1)S(C)(=O)=O	REAL300020253473	1	50	-1.0	-50.17	396.52	3.84	-46.33
CN(CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1)S(C)(=O)=O	REAL300020253474	0	47	-1.0	-50.47	382.64	2.81	-47.66
CN(CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1)S(C)(=O)=O	REAL300020253474	1	47	-1.0	-50.46	382.70	2.83	-47.63
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253475	0	44	-1.0	-47.62	363.10	8.32	-39.30
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253475	1	44	-1.0	-47.64	363.15	8.33	-39.31
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253476	0	41	-1.0	-50.68	347.77	7.31	-43.37
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253476	1	41	-1.0	-50.68	347.84	7.33	-43.35
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020253477	0	41	-1.0	-47.49	336.87	11.21	-36.28
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020253477	1	41	-1.0	-47.44	336.91	11.19	-36.25
CC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020253478	0	43	-1.0	-44.47	359.88	10.08	-34.39
CC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020253478	1	43	-1.0	-44.50	359.93	10.06	-34.44
CC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020253479	0	43	-1.0	-44.02	359.94	10.11	-33.91
CC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020253479	1	43	-1.0	-44.01	359.99	10.09	-33.92
CC1=CC(C)=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020253480	0	42	-1.0	-42.43	350.25	8.74	-33.69
CC1=CC(C)=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020253480	1	42	-1.0	-42.41	350.31	8.75	-33.66
CC1=CC(C)=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020253481	0	46	-1.0	-43.61	382.58	10.75	-32.86
CC1=CC(C)=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020253481	1	46	-1.0	-43.56	382.62	10.75	-32.81
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1C	REAL300020253482	0	42	-1.0	-41.22	337.96	9.83	-31.39
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1C	REAL300020253482	1	42	-1.0	-41.23	338.01	9.84	-31.39
CC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1C	REAL300020253483	0	46	-1.0	-43.13	368.75	11.95	-31.18
CC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1C	REAL300020253483	1	46	-1.0	-43.04	368.79	11.94	-31.10
CC(C)C1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020253484	0	45	-1.0	-41.98	366.23	9.28	-32.70
CC(C)C1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020253484	1	45	-1.0	-41.97	366.29	9.30	-32.67
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020253485	0	42	-1.0	-42.99	345.62	8.53	-34.46
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020253485	1	42	-1.0	-42.97	345.57	8.50	-34.47
CC(C)C1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020253486	0	49	-1.0	-43.43	398.74	11.35	-32.08
CC(C)C1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020253486	1	49	-1.0	-43.45	398.79	11.33	-32.12
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020253487	0	49	-1.0	-45.40	380.32	11.48	-33.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020253487	1	49	-1.0	-45.41	380.38	11.50	-33.91
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020253488	0	46	-1.0	-48.40	358.89	10.71	-37.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020253488	1	46	-1.0	-48.38	358.83	10.69	-37.69
CC1=CC2=C(C=C1C)N(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020253489	0	43	-1.0	-46.21	342.49	10.36	-35.85
CC1=CC2=C(C=C1C)N(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020253489	1	43	-1.0	-46.27	342.55	10.37	-35.90
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020253490	0	40	-1.0	-49.33	321.05	9.59	-39.74
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020253490	1	40	-1.0	-49.30	320.99	9.57	-39.73
CC1=CC2=C(C=C1C)N(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)CC2	REAL300020253491	0	47	-1.0	-48.27	374.52	12.46	-35.81
CC1=CC2=C(C=C1C)N(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)CC2	REAL300020253491	1	47	-1.0	-48.21	374.56	12.45	-35.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020253492	0	47	-1.0	-44.28	365.35	11.36	-32.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020253492	1	47	-1.0	-44.27	365.41	11.37	-32.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020253493	0	44	-1.0	-47.39	343.90	10.58	-36.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020253493	1	44	-1.0	-47.37	343.84	10.56	-36.81
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020253494	0	51	-1.0	-46.17	397.82	13.47	-32.70
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020253494	1	51	-1.0	-46.12	397.86	13.46	-32.66
CCC1(CC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C2=CC=CC=C21	REAL300020253495	0	49	-1.0	-44.58	377.62	11.26	-33.32
CCC1(CC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C2=CC=CC=C21	REAL300020253495	1	49	-1.0	-44.59	377.68	11.28	-33.31
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C2=CC=CC=C21	REAL300020253496	0	46	-1.0	-47.83	355.14	10.48	-37.35
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C2=CC=CC=C21	REAL300020253496	1	46	-1.0	-47.84	355.08	10.46	-37.38
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253497	0	40	-1.0	-45.72	326.31	9.84	-35.88
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253497	1	40	-1.0	-45.72	326.37	9.85	-35.87
CC1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253498	0	44	-1.0	-47.44	358.30	11.87	-35.57
CC1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253498	1	44	-1.0	-47.37	358.33	11.86	-35.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020253499	0	47	-1.0	-44.99	382.74	12.63	-32.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020253499	1	47	-1.0	-45.03	382.80	12.64	-32.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020253500	0	44	-1.0	-48.90	362.15	11.88	-37.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020253500	1	44	-1.0	-48.91	362.09	11.86	-37.05
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C2=CC=CC=C21	REAL300020253501	0	46	-1.0	-44.60	358.10	10.75	-33.85
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C2=CC=CC=C21	REAL300020253501	1	46	-1.0	-44.59	358.15	10.76	-33.83
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C2=CC=CC=C21	REAL300020253502	0	43	-1.0	-46.96	336.69	9.98	-36.98
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C2=CC=CC=C21	REAL300020253502	1	43	-1.0	-46.94	336.63	9.95	-36.99
CC(C)C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C2=CC=CC=C21	REAL300020253503	0	50	-1.0	-46.66	389.27	12.83	-33.83
CC(C)C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C2=CC=CC=C21	REAL300020253503	1	50	-1.0	-46.63	389.32	12.83	-33.80
CC(C)C1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020253504	0	45	-1.0	-42.53	366.21	9.29	-33.24
CC(C)C1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020253504	1	45	-1.0	-42.53	366.26	9.31	-33.22
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020253505	0	42	-1.0	-47.55	346.18	8.58	-38.97
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020253505	1	42	-1.0	-47.52	346.13	8.55	-38.97
CC(C)C1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020253506	0	49	-1.0	-43.89	398.73	11.36	-32.53
CC(C)C1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020253506	1	49	-1.0	-43.90	398.77	11.34	-32.56
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CCN2CCCC2=O)C2=CC=CC=C21	REAL300020253507	0	51	-1.0	-56.59	404.36	10.54	-46.05
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CCN2CCCC2=O)C2=CC=CC=C21	REAL300020253507	1	51	-1.0	-56.58	404.43	10.57	-46.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C3=CC=CC(F)=C3)=CC=C21	REAL300020253508	0	47	-1.0	-48.42	384.68	12.64	-35.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C3=CC=CC(F)=C3)=CC=C21	REAL300020253508	1	47	-1.0	-48.42	384.74	12.65	-35.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C3=CC=CC(F)=C3)=CC=C21	REAL300020253509	0	44	-1.0	-51.39	363.24	11.87	-39.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C3=CC=CC(F)=C3)=CC=C21	REAL300020253509	1	44	-1.0	-51.42	363.18	11.84	-39.58
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020253510	0	47	-1.0	-45.00	381.42	12.64	-32.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020253510	1	47	-1.0	-45.02	381.47	12.65	-32.37
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020253511	0	44	-1.0	-47.91	359.97	11.87	-36.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020253511	1	44	-1.0	-47.91	359.92	11.85	-36.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020253512	0	41	-1.0	-45.14	336.06	10.47	-34.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020253512	1	41	-1.0	-45.14	336.11	10.48	-34.66
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020253513	0	38	-1.0	-47.90	315.45	9.73	-38.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020253513	1	38	-1.0	-47.87	315.39	9.70	-38.17
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020253514	0	45	-1.0	-47.29	368.07	12.57	-34.72
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020253514	1	45	-1.0	-47.20	368.10	12.56	-34.64
COC1=CC(OC)=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020253515	0	44	-1.0	-45.13	366.39	6.01	-39.12
COC1=CC(OC)=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020253515	1	44	-1.0	-45.17	366.45	6.03	-39.14
COC1=CC(OC)=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020253516	0	41	-1.0	-50.79	344.95	5.25	-45.54
COC1=CC(OC)=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020253516	1	41	-1.0	-50.76	344.90	5.23	-45.53
COC1=CC(OC)=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020253517	0	48	-1.0	-46.11	398.74	8.01	-38.10
COC1=CC(OC)=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020253517	1	48	-1.0	-46.09	398.78	8.00	-38.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020253518	0	44	-1.0	-44.80	348.13	10.78	-34.02
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020253518	1	44	-1.0	-44.81	348.19	10.79	-34.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020253519	0	41	-1.0	-47.97	326.66	10.01	-37.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020253519	1	41	-1.0	-47.94	326.60	9.99	-37.95
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020253520	0	48	-1.0	-47.03	379.91	12.88	-34.15
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020253520	1	48	-1.0	-46.98	379.95	12.88	-34.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020253521	0	49	-1.0	-44.33	373.03	11.05	-33.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020253521	1	49	-1.0	-44.35	373.09	11.06	-33.29
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020253522	0	46	-1.0	-48.07	350.84	10.26	-37.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020253522	1	46	-1.0	-48.10	350.78	10.24	-37.86
CC(C)OC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020253523	0	46	-1.0	-44.05	375.44	8.19	-35.86
CC(C)OC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020253523	1	46	-1.0	-44.03	375.50	8.20	-35.83
CC(C)OC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020253524	0	43	-1.0	-49.13	355.42	7.50	-41.63
CC(C)OC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020253524	1	43	-1.0	-49.14	355.36	7.47	-41.67
CC(C)OC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020253525	0	50	-1.0	-45.85	407.57	10.32	-35.53
CC(C)OC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020253525	1	50	-1.0	-45.81	407.62	10.30	-35.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020253526	0	46	-1.0	-43.17	359.03	4.20	-38.97
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020253526	1	46	-1.0	-43.18	359.09	4.21	-38.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020253527	0	43	-1.0	-44.50	344.68	3.38	-41.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020253527	1	43	-1.0	-44.50	344.74	3.41	-41.09
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCCO)CC1	REAL300020253528	0	50	-1.0	-44.29	397.76	6.08	-38.21
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCCO)CC1	REAL300020253528	1	50	-1.0	-44.31	397.82	6.06	-38.25
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020253529	0	40	-1.0	-42.94	341.98	6.95	-35.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020253529	1	40	-1.0	-42.98	342.04	6.96	-36.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020253530	0	37	-1.0	-44.66	317.43	6.10	-38.56
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020253530	1	37	-1.0	-44.67	317.37	6.08	-38.59
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020253531	0	44	-1.0	-45.32	373.97	9.31	-36.01
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020253531	1	44	-1.0	-45.29	374.01	9.30	-35.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020253532	0	40	-1.0	-43.64	331.65	6.50	-37.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020253532	1	40	-1.0	-43.67	331.71	6.52	-37.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020253533	0	37	-1.0	-45.34	307.11	5.66	-39.68
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020253533	1	37	-1.0	-45.31	307.06	5.64	-39.67
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020253534	0	44	-1.0	-46.18	363.65	8.87	-37.31
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020253534	1	44	-1.0	-46.12	363.69	8.86	-37.26
CC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=O)C=C1	REAL300020253535	0	47	-1.0	-43.65	387.15	7.68	-35.97
CC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=O)C=C1	REAL300020253535	1	47	-1.0	-43.65	387.21	7.69	-35.96
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=O)C=C1	REAL300020253536	0	44	-1.0	-45.17	365.65	6.89	-38.28
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=O)C=C1	REAL300020253536	1	44	-1.0	-45.18	365.71	6.92	-38.26
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020253537	0	46	-1.0	-42.01	346.18	6.98	-35.03
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020253537	1	46	-1.0	-42.03	346.24	6.99	-35.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020253538	0	43	-1.0	-44.49	323.85	6.17	-38.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020253538	1	43	-1.0	-44.48	323.79	6.14	-38.34
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020253539	0	50	-1.0	-44.39	376.96	9.04	-35.35
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020253539	1	50	-1.0	-44.38	377.02	9.05	-35.33
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=N1	REAL300020253540	0	39	-1.0	-42.68	324.10	5.23	-37.45
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=N1	REAL300020253540	1	39	-1.0	-42.71	324.16	5.24	-37.47
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=N1	REAL300020253541	0	36	-1.0	-42.54	308.03	4.18	-38.36
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=N1	REAL300020253541	1	36	-1.0	-42.55	307.97	4.15	-38.40
CC1=NN2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2=N1	REAL300020253542	0	43	-1.0	-45.20	361.35	7.04	-38.16
CC1=NN2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2=N1	REAL300020253542	1	43	-1.0	-45.18	361.39	7.02	-38.16
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCC1	REAL300020253543	0	40	-1.0	-43.81	323.59	7.65	-36.16
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCC1	REAL300020253543	1	40	-1.0	-43.80	323.60	7.64	-36.16
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCS(=O)(=O)CC1	REAL300020253544	0	42	-1.0	-47.66	338.86	2.54	-45.12
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCS(=O)(=O)CC1	REAL300020253544	1	42	-1.0	-47.65	338.92	2.55	-45.10
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCS(=O)(=O)CC1	REAL300020253545	0	39	-1.0	-51.52	322.43	1.15	-50.37
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCS(=O)(=O)CC1	REAL300020253545	1	39	-1.0	-51.53	322.49	1.18	-50.35
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCS(=O)(=O)CC1	REAL300020253546	0	46	-1.0	-50.26	371.69	4.63	-45.63
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCS(=O)(=O)CC1	REAL300020253546	1	46	-1.0	-50.20	371.95	4.64	-45.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020253547	0	47	-1.0	-40.65	370.59	9.00	-31.65
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020253547	1	47	-1.0	-40.63	370.65	9.02	-31.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020253548	0	44	-1.0	-45.37	339.21	6.83	-38.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020253548	1	44	-1.0	-45.36	339.16	6.81	-38.55
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020253549	0	51	-1.0	-42.65	400.77	11.11	-31.54
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020253549	1	51	-1.0	-42.58	400.81	11.10	-31.48
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C2CCCCC12	REAL300020253550	0	46	-1.0	-41.88	347.23	6.95	-34.93
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C2CCCCC12	REAL300020253550	1	46	-1.0	-41.84	347.29	6.97	-34.87
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C2CCCCC12	REAL300020253551	0	43	-1.0	-44.44	326.50	6.45	-37.99
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C2CCCCC12	REAL300020253551	1	43	-1.0	-44.47	326.55	6.47	-38.00
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C2CCCCC12	REAL300020253552	0	50	-1.0	-43.93	379.01	9.29	-34.64
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C2CCCCC12	REAL300020253552	1	50	-1.0	-43.86	379.05	9.29	-34.57
COCCCN(CCC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253553	0	53	-1.0	-46.08	424.62	6.13	-39.95
COCCCN(CCC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253553	1	53	-1.0	-46.06	424.66	6.16	-39.90
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(Cl)C=C1)CC1CC1	REAL300020253554	0	49	-1.0	-41.59	410.02	9.83	-31.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(Cl)C=C1)CC1CC1	REAL300020253554	1	49	-1.0	-41.54	410.08	9.84	-31.70
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(Cl)C=C1)CC1CC1	REAL300020253555	0	46	-1.0	-44.75	390.25	10.07	-34.68
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(Cl)C=C1)CC1CC1	REAL300020253555	1	46	-1.0	-44.78	390.31	10.10	-34.68
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253556	0	46	-1.0	-42.24	363.30	7.84	-34.40
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253556	1	46	-1.0	-42.25	363.36	7.86	-34.39
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253557	0	43	-1.0	-44.82	341.03	7.07	-37.75
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253557	1	43	-1.0	-44.81	340.97	7.04	-37.77
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253558	0	50	-1.0	-44.08	397.48	10.90	-33.18
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253558	1	50	-1.0	-44.08	397.52	10.89	-33.19
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020253559	0	46	-1.0	-43.02	373.45	8.01	-35.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020253559	1	46	-1.0	-43.00	373.51	8.03	-34.97
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020253560	0	43	-1.0	-47.09	353.04	7.29	-39.80
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020253560	1	43	-1.0	-47.05	352.99	7.26	-39.79
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253561	0	48	-1.0	-39.85	363.68	7.16	-32.69
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253561	1	48	-1.0	-39.87	363.74	7.17	-32.70
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253562	0	45	-1.0	-44.51	336.14	7.43	-37.08
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253562	1	45	-1.0	-44.54	336.20	7.46	-37.08
C[C@@H](C1CCCCC1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253563	0	52	-1.0	-44.30	390.81	9.95	-34.35
C[C@@H](C1CCCCC1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253563	1	52	-1.0	-44.30	390.84	9.96	-34.34
CC1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253564	0	41	-1.0	-43.03	331.68	8.13	-34.90
CC1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253564	1	41	-1.0	-43.05	331.72	8.10	-34.95
CC1SCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1C	REAL300020253565	0	40	-1.0	-39.61	329.28	5.11	-34.50
CC1SCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1C	REAL300020253565	1	40	-1.0	-39.62	329.34	5.13	-34.49
CC1SCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1C	REAL300020253566	0	44	-1.0	-41.75	353.84	8.12	-33.63
CC1SCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1C	REAL300020253566	1	44	-1.0	-41.76	353.88	8.11	-33.65
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253567	0	43	-1.0	-42.90	345.16	7.64	-35.26
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253567	1	43	-1.0	-42.90	345.20	7.63	-35.27
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCC(C)(C)CC1	REAL300020253568	0	48	-1.0	-41.52	355.36	7.58	-33.94
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCC(C)(C)CC1	REAL300020253568	1	48	-1.0	-41.49	355.42	7.59	-33.90
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCC(C)(C)CC1	REAL300020253569	0	45	-1.0	-42.53	343.25	5.83	-36.70
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCC(C)(C)CC1	REAL300020253569	1	45	-1.0	-42.51	343.29	5.85	-36.66
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCC(C)(C)CC1	REAL300020253570	0	52	-1.0	-43.08	391.55	9.24	-33.84
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCC(C)(C)CC1	REAL300020253570	1	52	-1.0	-43.13	391.63	9.23	-33.90
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253571	0	40	-1.0	-42.95	350.28	8.50	-34.45
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253571	1	40	-1.0	-42.87	351.33	8.53	-34.34
CC1=C(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253572	0	44	-1.0	-42.97	348.84	8.69	-34.28
CC1=C(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253572	1	44	-1.0	-42.91	348.91	8.66	-34.25
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253573	0	46	-1.0	-41.77	367.56	8.12	-33.65
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253573	1	46	-1.0	-41.79	367.60	8.11	-33.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020253574	0	41	-1.0	-42.42	302.81	5.02	-37.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020253574	1	41	-1.0	-42.41	302.87	5.04	-37.37
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020253575	0	45	-1.0	-43.91	333.90	7.04	-36.87
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020253575	1	45	-1.0	-43.92	333.95	7.04	-36.88
CSCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253576	0	40	-1.0	-43.56	346.69	7.29	-36.27
CSCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253576	1	40	-1.0	-43.46	346.74	7.28	-36.18
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCCN(C2=CC=CC=C2)C1	REAL300020253577	0	51	-1.0	-40.81	391.99	7.32	-33.49
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCCN(C2=CC=CC=C2)C1	REAL300020253577	1	51	-1.0	-40.83	392.05	7.34	-33.49
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCCN(C2=CC=CC=C2)C1	REAL300020253578	0	48	-1.0	-42.00	371.16	6.55	-35.45
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCCN(C2=CC=CC=C2)C1	REAL300020253578	1	48	-1.0	-42.01	371.21	6.57	-35.44
CC1=CN=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)S1	REAL300020253579	0	44	-1.0	-41.56	373.09	5.30	-36.26
CC1=CN=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)S1	REAL300020253579	1	44	-1.0	-41.55	373.03	5.30	-36.25
CC1=CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)S1	REAL300020253580	0	41	-1.0	-45.82	346.19	4.77	-41.05
CC1=CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)S1	REAL300020253580	1	41	-1.0	-45.81	346.14	4.75	-41.06
COC1=CC=CC(C2CC(C)CN2C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020253581	0	50	-1.0	-44.84	398.38	8.59	-36.25
COC1=CC=CC(C2CC(C)CN2C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020253581	1	50	-1.0	-44.86	398.44	8.61	-36.25
COC1=CC=CC(C2CC(C)CN2C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020253582	0	47	-1.0	-47.52	379.23	7.68	-39.84
COC1=CC=CC(C2CC(C)CN2C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020253582	1	47	-1.0	-47.49	379.17	7.67	-39.82
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020253583	0	46	-1.0	-43.14	379.27	9.54	-33.60
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020253583	1	46	-1.0	-43.15	379.33	9.55	-33.60
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020253584	0	43	-1.0	-46.13	355.46	9.01	-37.12
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020253584	1	43	-1.0	-46.14	355.40	8.99	-37.15
CC(CC1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253585	0	45	-1.0	-41.14	378.38	9.11	-32.03
CC(CC1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253585	1	45	-1.0	-41.15	378.43	9.12	-32.03
CC(CC1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253586	0	42	-1.0	-42.58	358.20	8.36	-34.22
CC(CC1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253586	1	42	-1.0	-42.54	358.25	8.38	-34.16
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253587	0	45	-1.0	-39.71	344.09	7.08	-32.63
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253587	1	45	-1.0	-39.78	344.15	7.09	-32.69
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253588	0	49	-1.0	-43.08	369.03	9.63	-33.45
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253588	1	49	-1.0	-43.09	369.07	9.61	-33.48
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253589	0	53	0.0	-69.53	412.06	9.56	-59.97
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253589	1	53	0.0	-69.59	407.92	9.46	-60.13
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253589	1	53	0.0	-69.52	412.12	9.57	-59.95
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253589	1	53	0.0	-69.66	407.97	9.48	-60.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253590	0	50	0.0	-65.16	390.73	8.77	-56.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253590	1	50	0.0	-64.43	387.43	8.71	-55.72
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253590	1	50	0.0	-65.18	390.79	8.79	-56.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020253590	1	50	0.0	-64.47	387.48	8.74	-55.73
CSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020253591	0	43	-1.0	-42.87	342.70	7.46	-35.41
CSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020253591	1	43	-1.0	-42.89	342.76	7.47	-35.42
CSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020253592	0	40	-1.0	-45.79	321.21	6.67	-39.12
CSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020253592	1	40	-1.0	-45.77	321.26	6.70	-39.07
CSC1CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020253593	0	47	-1.0	-45.33	372.48	9.54	-35.79
CSC1CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020253593	1	47	-1.0	-45.32	372.52	9.53	-35.79
COC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC(C)C2=C1	REAL300020253594	0	50	-1.0	-43.42	361.72	5.66	-37.76
COC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC(C)C2=C1	REAL300020253594	1	50	-1.0	-43.46	361.78	5.68	-37.78
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC(C)C2=C1	REAL300020253595	0	47	-1.0	-45.53	359.41	6.23	-39.30
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC(C)C2=C1	REAL300020253595	1	47	-1.0	-45.53	359.46	6.25	-39.28
CC(C1=CC=CC=C1Br)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253596	0	42	-1.0	-42.33	351.07	8.45	-33.88
CC(C1=CC=CC=C1Br)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253596	1	42	-1.0	-42.33	351.13	8.46	-33.87
CC(C1=CC=CC=C1Br)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253597	0	39	-1.0	-44.87	330.56	7.70	-37.17
CC(C1=CC=CC=C1Br)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253597	1	39	-1.0	-44.82	330.61	7.73	-37.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020253598	0	45	-1.0	-39.57	336.77	7.79	-31.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020253598	1	45	-1.0	-39.58	336.83	7.80	-31.78
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020253599	0	49	-1.0	-42.99	362.00	10.31	-32.68
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020253599	1	49	-1.0	-42.98	362.04	10.30	-32.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020253600	0	44	-1.0	-43.08	342.79	5.43	-37.65
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020253600	1	44	-1.0	-43.11	342.84	5.45	-37.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020253601	0	41	-1.0	-45.09	320.94	3.83	-41.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020253601	1	41	-1.0	-45.07	321.00	3.86	-41.21
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCCO1	REAL300020253602	0	48	-1.0	-42.54	372.16	7.21	-35.33
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCCO1	REAL300020253602	1	48	-1.0	-42.55	372.20	7.21	-35.34
CC1=CC=CC(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020253603	0	47	-1.0	-40.33	387.55	9.63	-30.70
CC1=CC=CC(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020253603	1	47	-1.0	-40.35	387.61	9.64	-30.71
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020253604	0	44	-1.0	-46.31	360.44	7.82	-38.49
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020253604	1	44	-1.0	-46.29	360.50	7.84	-38.45
CC1=CC=CC(C2=CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2)=C1	REAL300020253605	0	51	-1.0	-46.05	412.56	10.68	-35.37
CC1=CC=CC(C2=CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2)=C1	REAL300020253605	1	51	-1.0	-45.97	412.61	10.66	-35.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCCC21	REAL300020253606	0	53	-1.0	-41.23	412.34	10.32	-30.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCCC21	REAL300020253606	1	53	-1.0	-41.22	412.39	10.33	-30.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCCC21	REAL300020253607	0	50	-1.0	-46.71	382.13	9.16	-37.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCCC21	REAL300020253607	1	50	-1.0	-46.71	382.18	9.18	-37.53
CC1=NC(C2=CC3=C(CCN(C4=NN=C(CC5=NN=N[N-]5)N4C)C3)S2)=CS1	REAL300020253608	0	43	-1.0	-49.63	381.98	6.45	-43.18
CC1=NC(C2=CC3=C(CCN(C4=NN=C(CC5=N[N-]N=N5)N4C)C3)S2)=CS1	REAL300020253608	1	43	-1.0	-49.66	381.92	6.43	-43.23
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020253609	0	46	-1.0	-40.83	349.38	7.07	-33.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020253609	1	46	-1.0	-40.81	349.44	7.09	-33.72
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020253610	0	43	-1.0	-43.25	333.14	6.91	-36.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020253610	1	43	-1.0	-43.21	333.08	6.88	-36.33
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020253611	0	50	-1.0	-42.56	385.68	9.76	-32.80
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020253611	1	50	-1.0	-42.63	385.49	9.75	-32.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C2=CC=CC=C2C1	REAL300020253612	0	45	-1.0	-48.51	371.63	4.52	-43.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C2=CC=CC=C2C1	REAL300020253612	1	45	-1.0	-48.51	371.69	4.55	-43.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020253613	0	45	-1.0	-43.82	375.02	8.92	-34.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020253613	1	45	-1.0	-43.84	375.08	8.93	-34.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020253614	0	42	-1.0	-46.23	360.51	8.67	-37.56
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020253614	1	42	-1.0	-46.25	360.57	8.69	-37.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020253615	0	47	-1.0	-40.49	355.06	5.40	-35.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020253615	1	47	-1.0	-40.47	355.12	5.42	-35.05
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020253616	0	44	-1.0	-44.22	326.86	4.86	-39.36
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020253616	1	44	-1.0	-44.19	326.93	4.89	-39.30
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020253617	0	51	-1.0	-42.66	386.18	7.52	-35.14
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020253617	1	51	-1.0	-42.66	386.23	7.51	-35.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020253618	0	44	-1.0	-42.51	349.08	3.21	-39.30
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020253618	1	44	-1.0	-42.52	349.14	3.22	-39.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020253619	0	41	-1.0	-45.04	327.64	2.45	-42.59
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020253619	1	41	-1.0	-45.04	327.59	2.43	-42.61
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020253620	0	48	-1.0	-48.01	375.73	5.06	-42.95
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020253620	1	48	-1.0	-47.92	375.77	5.05	-42.87
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020253621	0	46	0.0	-62.92	355.09	7.35	-55.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020253621	1	46	0.0	-62.57	348.15	7.50	-55.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020253621	1	46	0.0	-62.91	355.15	7.37	-55.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020253621	1	46	0.0	-62.56	348.21	7.52	-55.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020253622	0	43	0.0	-61.06	333.39	6.60	-54.46
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020253622	1	43	0.0	-60.60	333.09	6.36	-54.24
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020253622	1	43	0.0	-61.04	333.44	6.62	-54.42
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020253622	1	43	0.0	-60.61	333.15	6.39	-54.22
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020253623	0	50	0.0	-68.72	386.99	9.42	-59.30
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020253623	1	50	0.0	-68.31	380.25	9.60	-58.71
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020253623	1	50	0.0	-68.62	387.03	9.41	-59.21
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020253623	1	50	0.0	-68.26	380.29	9.60	-58.66
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020253624	0	52	0.0	-64.62	379.89	8.89	-55.73
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020253624	1	52	0.0	-64.61	385.87	8.27	-56.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020253624	1	52	0.0	-64.66	379.95	8.91	-55.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020253624	1	52	0.0	-64.59	385.92	8.29	-56.30
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020253625	0	49	0.0	-62.38	364.35	7.62	-54.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020253625	1	49	0.0	-62.16	356.34	7.03	-55.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020253625	1	49	0.0	-62.38	364.41	7.64	-54.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020253625	1	49	0.0	-62.14	356.40	7.05	-55.09
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020253626	0	56	0.0	-72.19	410.34	10.31	-61.88
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020253626	1	56	0.0	-70.99	416.42	10.46	-60.53
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020253626	1	56	0.0	-72.13	410.38	10.30	-61.83
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020253626	1	56	0.0	-71.00	416.46	10.44	-60.56
CC(C)COC(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253627	0	53	-1.0	-45.78	414.98	7.79	-37.99
CC(C)COC(=O)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253627	1	53	-1.0	-45.76	415.04	7.81	-37.95
CC(C)COC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253628	0	50	-1.0	-43.78	400.19	6.42	-37.36
CC(C)COC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253628	1	50	-1.0	-43.79	400.24	6.44	-37.35
CCN(CC1=CC(Br)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253629	0	39	-1.0	-41.48	351.84	7.74	-33.74
CCN(CC1=CC(Br)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253629	1	39	-1.0	-41.48	351.90	7.76	-33.72
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCN(C2=CC=C(F)C=C2)CC1	REAL300020253630	0	51	-1.0	-40.99	399.06	7.42	-33.57
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCN(C2=CC=C(F)C=C2)CC1	REAL300020253630	1	51	-1.0	-40.98	399.12	7.43	-33.55
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCN(C2=CC=C(F)C=C2)CC1	REAL300020253631	0	48	-1.0	-43.41	384.28	5.98	-37.43
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCN(C2=CC=C(F)C=C2)CC1	REAL300020253631	1	48	-1.0	-43.39	384.34	6.00	-37.39
COC1=CC=C(N2CCC(N(C)C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020253632	0	55	-1.0	-43.70	418.45	6.87	-36.83
COC1=CC=C(N2CCC(N(C)C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020253632	1	55	-1.0	-43.72	418.51	6.89	-36.83
COC1=CC=C(N2CCC(N(C)C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020253633	0	52	-1.0	-44.51	407.38	5.20	-39.31
COC1=CC=C(N2CCC(N(C)C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020253633	1	52	-1.0	-44.50	407.44	5.23	-39.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020253634	0	43	-1.0	-41.73	329.34	6.09	-35.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020253634	1	43	-1.0	-41.73	329.39	6.10	-35.63
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020253635	0	47	-1.0	-44.62	362.04	7.86	-36.76
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020253635	1	47	-1.0	-44.62	362.09	7.84	-36.78
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020253636	0	53	-1.0	-44.14	420.46	7.20	-36.94
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020253636	1	53	-1.0	-44.15	420.51	7.21	-36.94
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020253637	0	50	-1.0	-45.97	398.93	6.41	-39.56
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020253637	1	50	-1.0	-45.99	398.98	6.44	-39.55
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253638	0	42	-1.0	-44.00	348.54	6.86	-37.14
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253638	1	42	-1.0	-44.02	348.60	6.88	-37.14
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253639	0	39	-1.0	-45.42	336.77	6.35	-39.07
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253639	1	39	-1.0	-45.36	336.71	6.32	-39.04
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253640	0	46	-1.0	-44.88	385.71	10.30	-34.58
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253640	1	46	-1.0	-44.88	385.74	10.29	-34.59
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300020253641	0	40	-1.0	-41.39	355.44	8.53	-32.86
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300020253641	1	40	-1.0	-41.42	355.50	8.54	-32.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300020253642	0	37	-1.0	-44.12	333.95	7.74	-36.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300020253642	1	37	-1.0	-44.09	334.01	7.77	-36.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020253643	0	47	-1.0	-42.76	378.10	9.93	-32.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020253643	1	47	-1.0	-42.75	378.16	9.95	-32.80
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020253644	0	44	-1.0	-44.13	362.01	8.99	-35.14
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020253644	1	44	-1.0	-44.11	361.95	8.97	-35.14
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020253645	0	49	-1.0	-41.19	379.12	8.00	-33.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020253645	1	49	-1.0	-41.16	379.18	8.02	-33.14
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020253646	0	46	-1.0	-43.01	354.49	7.22	-35.79
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020253646	1	46	-1.0	-43.06	354.55	7.25	-35.81
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020253647	0	53	-1.0	-43.09	409.64	9.92	-33.17
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020253647	1	53	-1.0	-43.03	409.72	9.92	-33.11
CC1CC2=CC=C(Br)C=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253648	0	40	-1.0	-43.64	344.20	7.12	-36.52
CC1CC2=CC=C(Br)C=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253648	1	40	-1.0	-43.62	344.26	7.15	-36.47
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020253649	0	44	-1.0	-44.89	373.41	8.42	-36.47
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020253649	1	44	-1.0	-44.87	373.47	8.43	-36.44
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020253650	0	41	-1.0	-47.14	351.91	7.63	-39.51
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020253650	1	41	-1.0	-47.14	351.96	7.66	-39.48
CC1=CC(C)=CC(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020253651	0	50	-1.0	-40.06	409.39	10.12	-29.94
CC1=CC(C)=CC(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020253651	1	50	-1.0	-40.07	409.45	10.13	-29.94
CC1=CC(C)=CC(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020253652	0	47	-1.0	-46.07	382.00	8.48	-37.59
CC1=CC(C)=CC(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020253652	1	47	-1.0	-46.08	382.06	8.51	-37.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C3OCCOC3=C2)CC1	REAL300020253653	0	50	-1.0	-48.10	405.03	7.10	-41.00
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C3OCCOC3=C2)CC1	REAL300020253653	1	50	-1.0	-48.11	405.09	7.11	-41.00
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C3OCCOC3=C2)CC1	REAL300020253654	0	47	-1.0	-50.61	383.54	6.31	-44.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C3OCCOC3=C2)CC1	REAL300020253654	1	47	-1.0	-50.59	383.60	6.34	-44.25
CCC1=CC=C(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020253655	0	50	-1.0	-39.80	409.49	10.24	-29.56
CCC1=CC=C(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020253655	1	50	-1.0	-39.80	409.54	10.25	-29.55
CCC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020253656	0	47	-1.0	-42.06	387.99	9.44	-32.62
CCC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020253656	1	47	-1.0	-42.07	388.05	9.47	-32.60
C=CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CC1	REAL300020253657	0	41	-1.0	-43.28	328.55	8.20	-35.08
C=CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CC1	REAL300020253657	1	41	-1.0	-43.18	328.57	8.18	-35.00
CC1C2=CC(Cl)=C(Cl)C=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253658	0	43	-1.0	-40.09	379.78	8.23	-31.86
CC1C2=CC(Cl)=C(Cl)C=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253658	1	43	-1.0	-40.10	379.84	8.24	-31.86
CC1C2=CC(Cl)=C(Cl)C=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253659	0	40	-1.0	-43.12	356.98	7.37	-35.75
CC1C2=CC(Cl)=C(Cl)C=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253659	1	40	-1.0	-43.10	357.04	7.39	-35.71
CC1=CC(Br)=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020253660	0	40	-1.0	-46.33	338.54	6.65	-39.68
CC1=CC(Br)=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020253660	1	40	-1.0	-46.35	338.60	6.67	-39.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020253661	0	49	-1.0	-41.27	390.08	9.38	-31.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020253661	1	49	-1.0	-41.28	390.14	9.39	-31.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020253662	0	46	-1.0	-43.39	371.20	8.79	-34.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020253662	1	46	-1.0	-43.39	371.26	8.81	-34.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300020253663	0	41	-1.0	-43.17	371.07	8.13	-35.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300020253663	1	41	-1.0	-43.18	371.14	8.15	-35.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020253664	0	45	-1.0	-40.87	379.16	6.89	-33.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020253664	1	45	-1.0	-40.88	379.21	6.91	-33.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020253665	0	42	-1.0	-44.86	351.80	6.13	-38.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020253665	1	42	-1.0	-44.90	351.86	6.15	-38.75
CN1C(CC2=N[N-]N=N2)=NN=C1N1CNCN(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020253666	0	44	-1.0	-40.75	374.36	3.73	-37.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CNCN(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020253666	1	44	-1.0	-40.74	374.41	3.76	-36.98
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020253667	0	44	-1.0	-40.38	368.40	4.02	-36.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020253667	1	44	-1.0	-40.39	368.46	4.03	-36.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020253668	0	41	-1.0	-43.21	352.38	3.26	-39.95
CN1C(CC2=NN=N[N-]2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020253668	1	41	-1.0	-43.22	352.44	3.29	-39.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020253669	0	45	-1.0	-40.87	379.16	6.89	-33.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020253669	1	45	-1.0	-40.88	379.21	6.91	-33.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020253670	0	42	-1.0	-44.86	351.80	6.13	-38.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020253670	1	42	-1.0	-44.90	351.86	6.15	-38.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C3CCCCN32)CC1	REAL300020253671	0	52	-1.0	-47.61	410.83	8.83	-38.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C3CCCCN32)CC1	REAL300020253671	1	52	-1.0	-47.60	410.89	8.84	-38.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C3CCCCN32)CC1	REAL300020253672	0	49	-1.0	-49.19	389.87	7.81	-41.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C3CCCCN32)CC1	REAL300020253672	1	49	-1.0	-49.22	389.93	7.84	-41.38
CC1=CC(Br)=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020253673	0	40	-1.0	-44.83	340.09	6.72	-38.11
CC1=CC(Br)=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020253673	1	40	-1.0	-44.86	340.15	6.75	-38.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020253674	0	44	-1.0	-44.07	375.26	9.08	-34.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020253674	1	44	-1.0	-44.07	375.32	9.09	-34.98
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020253675	0	41	-1.0	-43.94	355.23	7.35	-36.59
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020253675	1	41	-1.0	-43.90	355.17	7.33	-36.57
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020253676	0	48	-1.0	-45.36	407.83	10.28	-35.08
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020253676	1	48	-1.0	-45.41	407.85	10.27	-35.14
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=C(Br)C=CC=C2C1	REAL300020253677	0	40	-1.0	-44.02	332.87	7.18	-36.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=C(Br)C=CC=C2C1	REAL300020253677	1	40	-1.0	-44.02	332.93	7.21	-36.81
COCC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)O1	REAL300020253678	0	47	-1.0	-46.63	385.07	6.36	-40.27
COCC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)O1	REAL300020253678	1	47	-1.0	-46.65	385.13	6.37	-40.28
COCC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)O1	REAL300020253679	0	44	-1.0	-47.64	360.76	4.49	-43.15
COCC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)O1	REAL300020253679	1	44	-1.0	-47.65	360.82	4.51	-43.14
COCC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020253680	0	46	-1.0	-41.49	354.13	6.20	-35.29
COCC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020253680	1	46	-1.0	-41.52	354.19	6.21	-35.31
COCC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020253681	0	43	-1.0	-43.26	330.98	4.60	-38.66
COCC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020253681	1	43	-1.0	-43.24	331.03	4.62	-38.62
COCC1CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020253682	0	50	-1.0	-42.16	388.54	7.89	-34.27
COCC1CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020253682	1	50	-1.0	-42.13	388.63	7.87	-34.26
CCC1C(C)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253683	0	46	-1.0	-42.67	357.15	7.52	-35.15
CCC1C(C)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253683	1	46	-1.0	-42.64	357.19	7.51	-35.13
COCC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253684	0	41	-1.0	-41.79	325.09	4.78	-37.01
COCC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253684	1	41	-1.0	-41.78	325.15	4.79	-36.99
COCC1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253685	0	45	-1.0	-43.63	363.33	7.42	-36.21
COCC1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253685	1	45	-1.0	-43.65	363.14	7.41	-36.24
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1C	REAL300020253686	0	46	-1.0	-43.61	358.05	8.66	-34.95
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1C	REAL300020253686	1	46	-1.0	-43.56	358.07	8.65	-34.91
CC1=CC(C)=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020253687	0	46	-1.0	-40.61	370.08	8.55	-32.06
CC1=CC(C)=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020253687	1	46	-1.0	-40.58	370.14	8.57	-32.01
CC1=CC(C)=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020253688	0	43	-1.0	-44.14	343.13	8.07	-36.07
CC1=CC(C)=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020253688	1	43	-1.0	-44.12	343.07	8.04	-36.08
CC1=CC(C)=C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2=C1	REAL300020253689	0	50	-1.0	-43.46	395.69	10.93	-32.53
CC1=CC(C)=C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2=C1	REAL300020253689	1	50	-1.0	-43.51	395.49	10.91	-32.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020253690	0	49	-1.0	-40.67	378.08	9.64	-31.03
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020253690	1	49	-1.0	-40.68	378.14	9.66	-31.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020253691	0	46	-1.0	-42.84	362.61	8.53	-34.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020253691	1	46	-1.0	-42.85	362.67	8.56	-34.29
COC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253692	0	47	-1.0	-45.01	379.74	8.39	-36.62
COC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253692	1	47	-1.0	-45.01	379.79	8.40	-36.61
COC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253693	0	44	-1.0	-48.05	358.30	7.63	-40.42
COC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253693	1	44	-1.0	-48.10	358.24	7.60	-40.50
CC1=CC=C(CC2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020253694	0	49	-1.0	-42.39	388.65	8.85	-33.54
CC1=CC=C(CC2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020253694	1	49	-1.0	-42.42	388.70	8.87	-33.55
CC1=CC=C(CC2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020253695	0	46	-1.0	-43.79	364.36	8.03	-35.76
CC1=CC=C(CC2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020253695	1	46	-1.0	-43.79	364.42	8.05	-35.74
CSCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253696	0	43	-1.0	-42.23	368.19	8.07	-34.16
CSCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253696	1	43	-1.0	-42.20	368.23	8.06	-34.14
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020253697	0	52	-1.0	-42.49	406.25	9.31	-33.18
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020253697	1	52	-1.0	-42.50	406.30	9.32	-33.18
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020253698	0	49	-1.0	-44.21	385.89	8.95	-35.26
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020253698	1	49	-1.0	-44.22	385.95	8.97	-35.25
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253699	0	47	-1.0	-44.66	390.88	6.39	-38.27
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253699	1	47	-1.0	-44.63	390.94	6.40	-38.23
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253700	0	44	-1.0	-46.51	370.37	5.72	-40.79
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253700	1	44	-1.0	-46.54	370.43	5.75	-40.79
CN(CC(=O)NC1=CC(F)=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253701	0	43	-1.0	-43.01	369.97	5.87	-37.14
CN(CC(=O)NC1=CC(F)=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253701	1	43	-1.0	-43.03	370.02	5.89	-37.14
CN(CC(=O)NC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253702	0	40	-1.0	-44.30	354.96	4.86	-39.44
CN(CC(=O)NC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253702	1	40	-1.0	-44.33	355.02	4.89	-39.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020253703	0	46	-1.0	-44.38	367.18	5.57	-38.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020253703	1	46	-1.0	-44.35	367.23	5.58	-38.77
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020253704	0	43	-1.0	-45.76	346.23	4.79	-40.97
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020253704	1	43	-1.0	-45.82	346.29	4.82	-41.00
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC2=CC=CC=C21)C1CCCC1	REAL300020253705	0	52	-1.0	-45.06	397.57	9.83	-35.23
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC2=CC=CC=C21)C1CCCC1	REAL300020253705	1	52	-1.0	-45.07	397.51	9.81	-35.26
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020253706	0	45	-1.0	-40.48	348.91	5.95	-34.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020253706	1	45	-1.0	-40.47	348.97	5.97	-34.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020253707	0	42	-1.0	-44.08	330.96	5.72	-38.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020253707	1	42	-1.0	-44.09	330.90	5.70	-38.39
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020253708	0	49	-1.0	-44.20	382.77	7.91	-36.29
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020253708	1	49	-1.0	-44.29	382.51	7.91	-36.38
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C2OCCC2=C1)C1CCCC1	REAL300020253709	0	54	-1.0	-41.57	418.90	8.71	-32.86
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C2OCCC2=C1)C1CCCC1	REAL300020253709	1	54	-1.0	-41.57	418.96	8.72	-32.85
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C2OCCC2=C1)C1CCCC1	REAL300020253710	0	51	-1.0	-43.84	398.33	7.92	-35.92
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C2OCCC2=C1)C1CCCC1	REAL300020253710	1	51	-1.0	-43.85	398.39	7.95	-35.90
CCN(CC1=CC=C(C(=O)N(C)C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253711	0	52	-1.0	-46.11	420.52	7.10	-39.01
CCN(CC1=CC=C(C(=O)N(C)C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253711	1	52	-1.0	-46.08	420.58	7.11	-38.97
CCN(CC1=CC=C(C(=O)N(C)C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253712	0	49	-1.0	-48.70	398.58	6.32	-42.38
CCN(CC1=CC=C(C(=O)N(C)C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253712	1	49	-1.0	-48.72	398.64	6.35	-42.37
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020253713	0	43	-1.0	-40.17	346.68	7.85	-32.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020253713	1	43	-1.0	-40.17	346.74	7.86	-32.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020253714	0	40	-1.0	-43.50	326.29	7.11	-36.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020253714	1	40	-1.0	-43.46	326.24	7.09	-36.37
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020253715	0	47	-1.0	-42.80	370.92	10.12	-32.68
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020253715	1	47	-1.0	-42.73	370.95	10.12	-32.61
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCOC1	REAL300020253716	0	41	-1.0	-43.83	324.94	5.29	-38.54
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCOC1	REAL300020253716	1	41	-1.0	-43.80	324.98	5.29	-38.51
CC(CC#N)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253717	0	40	-1.0	-47.01	334.36	7.27	-39.74
CC(CC#N)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253717	1	40	-1.0	-46.97	334.40	7.27	-39.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020253718	0	40	-1.0	-46.27	334.53	7.05	-39.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020253718	1	40	-1.0	-46.30	334.59	7.06	-39.24
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020253719	0	44	-1.0	-49.05	365.65	9.15	-39.90
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020253719	1	44	-1.0	-49.00	365.70	9.12	-39.88
COCCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253720	0	40	-1.0	-43.82	334.43	3.46	-40.36
COCCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253720	1	40	-1.0	-43.84	334.49	3.48	-40.36
COCCN(CCC#N)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253721	0	44	-1.0	-51.67	365.29	7.13	-44.54
COCCN(CCC#N)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253721	1	44	-1.0	-51.65	365.32	7.13	-44.52
CC(C)CCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253722	0	45	-1.0	-43.05	360.51	6.54	-36.51
CC(C)CCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253722	1	45	-1.0	-43.05	360.57	6.56	-36.49
CC(C)CCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253723	0	42	-1.0	-48.45	341.74	6.74	-41.71
CC(C)CCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253723	1	42	-1.0	-48.43	341.80	6.76	-41.67
CC(C)CCN(CCC#N)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253724	0	49	-1.0	-49.15	395.79	9.66	-39.49
CC(C)CCN(CCC#N)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253724	1	49	-1.0	-49.14	395.82	9.65	-39.49
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2C#N)CC1	REAL300020253725	0	49	-1.0	-49.64	395.50	8.59	-41.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2C#N)CC1	REAL300020253725	1	49	-1.0	-49.68	395.56	8.60	-41.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2C#N)CC1	REAL300020253726	0	46	-1.0	-50.70	371.82	7.15	-43.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2C#N)CC1	REAL300020253726	1	46	-1.0	-50.70	371.88	7.17	-43.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020253727	0	41	-1.0	-45.64	324.64	3.45	-42.19
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020253727	1	41	-1.0	-45.63	324.69	3.44	-42.19
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253728	0	49	-1.0	-42.37	391.64	6.96	-35.41
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253728	1	49	-1.0	-42.41	391.70	6.98	-35.43
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253729	0	46	-1.0	-43.22	370.52	7.10	-36.12
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253729	1	46	-1.0	-43.18	370.57	7.12	-36.06
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020253730	0	55	0.0	-67.78	425.29	9.15	-58.63
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020253730	1	55	0.0	-67.76	425.34	9.16	-58.60
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020253731	0	52	0.0	-68.94	404.89	8.41	-60.53
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020253731	1	52	0.0	-68.95	404.95	8.44	-60.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CCCC1	REAL300020253732	0	49	-1.0	-42.35	388.19	8.76	-33.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CCCC1	REAL300020253732	1	49	-1.0	-42.43	388.24	8.77	-33.66
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CCCC1	REAL300020253733	0	46	-1.0	-46.19	367.85	8.00	-38.19
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CCCC1	REAL300020253733	1	46	-1.0	-46.18	367.90	8.02	-38.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CCCC1	REAL300020253734	0	49	-1.0	-41.17	388.68	9.87	-31.30
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CCCC1	REAL300020253734	1	49	-1.0	-41.16	388.74	9.88	-31.28
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CCCC1	REAL300020253735	0	46	-1.0	-44.38	378.38	8.59	-35.79
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CCCC1	REAL300020253735	1	46	-1.0	-44.36	378.42	8.61	-35.75
CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020253736	0	43	-1.0	-41.33	343.91	8.19	-33.14
CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020253736	1	43	-1.0	-41.32	343.96	8.20	-33.12
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020253737	0	40	-1.0	-45.39	320.37	6.34	-39.05
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020253737	1	40	-1.0	-45.36	320.31	6.31	-39.05
CC1=CC=CC2=C1CCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020253738	0	47	-1.0	-43.45	375.02	10.30	-33.15
CC1=CC=CC2=C1CCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020253738	1	47	-1.0	-43.53	374.82	10.28	-33.25
CC(C1=CC=CS1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253739	0	39	-1.0	-40.06	328.65	6.98	-33.08
CC(C1=CC=CS1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253739	1	39	-1.0	-40.07	328.71	6.99	-33.08
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253740	0	36	-1.0	-45.44	310.54	6.11	-39.33
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253740	1	36	-1.0	-45.39	310.48	6.09	-39.30
CC(C1=CC=CS1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253741	0	43	-1.0	-44.65	363.23	8.95	-35.70
CC(C1=CC=CS1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253741	1	43	-1.0	-44.64	363.27	8.94	-35.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C2=CC=CC=C2)C1	REAL300020253742	0	50	-1.0	-41.62	398.20	10.36	-31.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C2=CC=CC=C2)C1	REAL300020253742	1	50	-1.0	-41.61	398.25	10.38	-31.23
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C2=CC=CC=C2)C1	REAL300020253743	0	47	-1.0	-44.94	380.70	10.19	-34.75
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C2=CC=CC=C2)C1	REAL300020253743	1	47	-1.0	-44.94	380.64	10.16	-34.78
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC1	REAL300020253744	0	38	-1.0	-42.54	304.97	7.04	-35.50
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC1	REAL300020253744	1	38	-1.0	-42.51	305.01	7.02	-35.49
CC1=CC(C)=C(NC(=O)CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C(C)=C1	REAL300020253745	0	52	-1.0	-41.90	421.11	7.83	-34.07
CC1=CC(C)=C(NC(=O)CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C(C)=C1	REAL300020253745	1	52	-1.0	-41.89	421.17	7.84	-34.05
CC1=CC(C)=C(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C(C)=C1	REAL300020253746	0	49	-1.0	-44.61	400.15	6.96	-37.65
CC1=CC(C)=C(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)=C1	REAL300020253746	1	49	-1.0	-44.66	400.21	6.99	-37.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Br)=C1	REAL300020253747	0	40	-1.0	-40.20	340.61	6.72	-33.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Br)=C1	REAL300020253747	1	40	-1.0	-40.21	340.66	6.75	-33.46
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C(=O)NC2CC2)C=C1)C1CC1	REAL300020253748	0	51	-1.0	-48.85	422.39	6.92	-41.93
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C(=O)NC2CC2)C=C1)C1CC1	REAL300020253748	1	51	-1.0	-48.85	422.45	6.95	-41.90
CC(C1=CC=C(C(F)(F)F)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253749	0	45	-1.0	-42.80	379.66	8.85	-33.95
CC(C1=CC=C(C(F)(F)F)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253749	1	45	-1.0	-42.83	379.72	8.87	-33.96
CC(C1=CC=C(C(F)(F)F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253750	0	42	-1.0	-40.95	350.64	8.15	-32.80
CC(C1=CC=C(C(F)(F)F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253750	1	42	-1.0	-40.95	350.70	8.17	-32.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020253751	0	47	-1.0	-43.05	374.97	6.09	-36.96
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020253751	1	47	-1.0	-43.10	375.03	6.11	-36.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020253752	0	44	-1.0	-45.96	354.57	5.33	-40.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020253752	1	44	-1.0	-45.93	354.63	5.36	-40.57
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253753	0	45	-1.0	-43.86	368.00	7.45	-36.41
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253753	1	45	-1.0	-43.88	368.06	7.46	-36.42
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253754	0	42	-1.0	-46.05	342.54	7.14	-38.91
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253754	1	42	-1.0	-46.05	342.52	7.11	-38.94
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253755	0	49	-1.0	-46.95	394.89	9.99	-36.96
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253755	1	49	-1.0	-46.92	394.92	9.98	-36.94
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253756	0	48	-1.0	-44.42	384.72	10.43	-33.99
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253756	1	48	-1.0	-44.46	384.78	10.45	-34.01
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253757	0	45	-1.0	-48.54	364.23	9.70	-38.84
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253757	1	45	-1.0	-48.51	364.17	9.67	-38.84
CCN(CC1=CC=C(OC)C=C1OC)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253758	0	50	-1.0	-42.82	398.70	6.73	-36.09
CCN(CC1=CC=C(OC)C=C1OC)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253758	1	50	-1.0	-42.84	398.76	6.75	-36.09
CCN(CC1=CC=C(OC)C=C1OC)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253759	0	47	-1.0	-46.36	378.15	5.96	-40.40
CCN(CC1=CC=C(OC)C=C1OC)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253759	1	47	-1.0	-46.34	378.20	5.99	-40.35
CCC(CC)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253760	0	47	-1.0	-41.13	359.18	7.92	-33.21
CCC(CC)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253760	1	47	-1.0	-41.14	359.24	7.94	-33.20
CCC(CC)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253761	0	51	-1.0	-44.06	387.68	11.46	-32.60
CCC(CC)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253761	1	51	-1.0	-44.02	387.71	11.45	-32.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2)CC1	REAL300020253762	0	50	-1.0	-48.48	394.40	8.24	-40.24
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2)CC1	REAL300020253762	1	50	-1.0	-48.48	394.46	8.25	-40.23
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2)CC1	REAL300020253763	0	47	-1.0	-46.98	372.54	7.13	-39.85
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2)CC1	REAL300020253763	1	47	-1.0	-46.98	372.60	7.16	-39.82
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC1	REAL300020253764	0	45	-1.0	-40.38	355.00	7.76	-32.62
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC1	REAL300020253764	1	45	-1.0	-40.39	355.06	7.78	-32.61
CC(C)CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CC1	REAL300020253765	0	49	-1.0	-41.79	393.50	9.69	-32.10
CC(C)CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CC1	REAL300020253765	1	49	-1.0	-41.77	393.57	9.68	-32.09
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253766	0	43	-1.0	-41.80	352.29	8.73	-33.07
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253766	1	43	-1.0	-41.80	352.35	8.75	-33.05
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253767	0	40	-1.0	-45.26	331.79	8.00	-37.26
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253767	1	40	-1.0	-45.21	331.73	7.97	-37.24
C=CCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253768	0	47	-1.0	-44.19	383.96	10.83	-33.36
C=CCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253768	1	47	-1.0	-44.15	384.00	10.83	-33.32
CCOC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C(C)C)C=C1	REAL300020253769	0	52	-1.0	-40.85	411.93	7.91	-32.94
CCOC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C(C)C)C=C1	REAL300020253769	1	52	-1.0	-40.80	411.99	7.92	-32.88
CCOC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C(C)C)C=C1	REAL300020253770	0	49	-1.0	-43.19	389.39	6.99	-36.20
CCOC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)C)C=C1	REAL300020253770	1	49	-1.0	-43.19	389.45	7.01	-36.18
COCCN(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253771	0	43	-1.0	-44.37	355.09	4.26	-40.11
COCCN(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253771	1	43	-1.0	-44.39	355.14	4.27	-40.12
COCCN(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253772	0	40	-1.0	-47.19	335.28	3.65	-43.54
COCCN(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253772	1	40	-1.0	-47.16	335.22	3.62	-43.54
COCCN(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253773	0	47	-1.0	-46.36	388.05	6.29	-40.07
COCCN(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253773	1	47	-1.0	-46.34	388.08	6.29	-40.05
COCCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253774	0	45	-1.0	-42.61	351.70	4.77	-37.84
COCCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253774	1	45	-1.0	-42.62	351.76	4.78	-37.84
COCCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253775	0	49	-1.0	-43.90	388.89	7.93	-35.97
COCCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253775	1	49	-1.0	-43.87	388.91	7.92	-35.95
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCCC1	REAL300020253776	0	48	-1.0	-41.16	355.91	6.33	-34.83
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCCC1	REAL300020253776	1	48	-1.0	-41.17	355.97	6.34	-34.83
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCCC1	REAL300020253777	0	45	-1.0	-41.61	338.22	7.25	-34.36
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCCC1	REAL300020253777	1	45	-1.0	-41.63	338.28	7.27	-34.36
CC(C)CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCCC1	REAL300020253778	0	52	-1.0	-41.78	389.76	10.14	-31.64
CC(C)CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCCC1	REAL300020253778	1	52	-1.0	-41.68	389.80	10.13	-31.55
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253779	0	51	-1.0	-41.83	403.14	9.39	-32.44
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253779	1	51	-1.0	-41.84	403.20	9.41	-32.43
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253780	0	48	-1.0	-44.45	381.15	8.71	-35.74
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253780	1	48	-1.0	-44.47	381.23	8.73	-35.74
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253781	0	48	-1.0	-41.88	389.39	9.20	-32.68
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253781	1	48	-1.0	-41.90	389.45	9.22	-32.68
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253782	0	45	-1.0	-43.76	364.17	7.47	-36.29
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253782	1	45	-1.0	-43.75	364.11	7.44	-36.31
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253783	0	48	-1.0	-42.38	379.97	8.24	-34.14
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253783	1	48	-1.0	-42.38	380.03	8.26	-34.12
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253784	0	45	-1.0	-47.05	360.03	7.52	-39.53
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253784	1	45	-1.0	-47.07	359.96	7.50	-39.57
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253785	0	52	-1.0	-44.51	412.93	10.26	-34.25
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253785	1	52	-1.0	-44.46	412.97	10.25	-34.21
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CCCC1	REAL300020253786	0	49	-1.0	-47.18	382.36	8.63	-38.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CCCC1	REAL300020253786	1	49	-1.0	-47.14	382.42	8.64	-38.50
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CCCC1	REAL300020253787	0	46	-1.0	-40.52	368.27	7.81	-32.71
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CCCC1	REAL300020253787	1	46	-1.0	-40.58	368.33	7.84	-32.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020253788	0	49	-1.0	-42.54	379.40	8.54	-34.00
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020253788	1	49	-1.0	-42.59	379.46	8.55	-34.04
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020253789	0	46	-1.0	-43.66	359.70	8.62	-35.04
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020253789	1	46	-1.0	-43.72	359.76	8.65	-35.07
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCCC1	REAL300020253790	0	51	-1.0	-40.15	377.54	8.50	-31.65
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCCC1	REAL300020253790	1	51	-1.0	-40.17	377.60	8.51	-31.66
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCCC1	REAL300020253791	0	48	-1.0	-44.98	365.70	6.82	-38.16
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCCC1	REAL300020253791	1	48	-1.0	-44.95	365.76	6.84	-38.11
CC(C)CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCCC1	REAL300020253792	0	55	-1.0	-41.81	409.67	10.57	-31.24
CC(C)CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCCC1	REAL300020253792	1	55	-1.0	-41.81	409.72	10.56	-31.25
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253793	0	42	-1.0	-41.41	361.37	7.32	-34.09
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253793	1	42	-1.0	-41.36	361.43	7.33	-34.03
CCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253794	0	39	-1.0	-44.31	331.71	6.00	-38.31
CCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253794	1	39	-1.0	-44.33	331.76	6.02	-38.31
CCN(CCC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253795	0	46	-1.0	-43.51	393.02	9.21	-34.30
CCN(CCC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253795	1	46	-1.0	-43.53	393.07	9.21	-34.32
COC1=CC=CC=C1CN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253796	0	54	-1.0	-44.77	433.15	6.89	-37.88
COC1=CC=CC=C1CN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253796	1	54	-1.0	-44.79	433.21	6.90	-37.89
COC1=CC=CC=C1CN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253797	0	51	-1.0	-43.83	399.79	6.06	-37.77
COC1=CC=CC=C1CN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253797	1	51	-1.0	-43.84	399.90	6.08	-37.76
COC1=CC=CC=C1CN(CCO)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253798	0	47	-1.0	-43.99	380.40	4.13	-39.86
COC1=CC=CC=C1CN(CCO)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253798	1	47	-1.0	-43.99	380.46	4.15	-39.84
COC1=CC=CC=C1CN(CCO)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253799	0	44	-1.0	-47.90	359.89	3.40	-44.50
COC1=CC=CC=C1CN(CCO)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253799	1	44	-1.0	-47.85	359.83	3.37	-44.48
CC1COCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253800	0	41	-1.0	-44.06	326.15	5.81	-38.25
CC1COCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253800	1	41	-1.0	-44.06	326.19	5.78	-38.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020253801	0	48	-1.0	-47.71	394.37	4.14	-43.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020253801	1	48	-1.0	-47.74	394.43	4.15	-43.59
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020253802	0	45	-1.0	-50.63	368.75	3.52	-47.11
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020253802	1	45	-1.0	-50.65	368.81	3.54	-47.11
CC(C)CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C(C)C	REAL300020253803	0	48	-1.0	-43.45	360.25	7.14	-36.31
CC(C)CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C(C)C	REAL300020253803	1	48	-1.0	-43.34	360.28	7.12	-36.22
CCC1C2=C(CCN1C1=NN=C(CCC3=N[N-]N=N3)N1C)SC=C2	REAL300020253804	0	43	-1.0	-39.99	352.26	7.50	-32.49
CCC1C2=C(CCN1C1=NN=C(CCC3=NN=N[N-]3)N1C)SC=C2	REAL300020253804	1	43	-1.0	-40.01	352.32	7.51	-32.50
CCC1C2=C(CCN1C1=NN=C(CC3=NN=N[N-]3)N1C)SC=C2	REAL300020253805	0	40	-1.0	-44.81	327.57	5.98	-38.83
CCC1C2=C(CCN1C1=NN=C(CC3=N[N-]N=N3)N1C)SC=C2	REAL300020253805	1	40	-1.0	-44.83	327.51	5.95	-38.88
CCC1C2=C(CCN1C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)SC=C2	REAL300020253806	0	47	-1.0	-44.72	382.35	9.03	-35.69
CCC1C2=C(CCN1C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)SC=C2	REAL300020253806	1	47	-1.0	-44.64	382.39	9.01	-35.63
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253807	0	45	-1.0	-43.87	352.17	7.77	-36.10
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253807	1	45	-1.0	-43.83	352.20	7.76	-36.07
CN(CC(=O)NC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253808	0	43	-1.0	-43.50	379.64	5.99	-37.51
CN(CC(=O)NC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253808	1	43	-1.0	-43.55	379.70	6.01	-37.54
CN(CC(=O)NC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253809	0	40	-1.0	-45.96	358.87	5.24	-40.72
CN(CC(=O)NC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253809	1	40	-1.0	-45.92	358.93	5.27	-40.65
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL300020253810	0	48	-1.0	-50.30	389.77	4.70	-45.60
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL300020253810	1	48	-1.0	-50.28	389.82	4.72	-45.56
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL300020253811	0	45	-1.0	-49.15	368.33	3.90	-45.25
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2O)CC1	REAL300020253811	1	45	-1.0	-49.14	368.38	3.93	-45.21
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020253812	0	55	0.0	-68.62	413.87	9.86	-58.76
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020253812	1	55	0.0	-66.98	407.65	9.19	-57.79
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020253812	1	55	0.0	-68.59	413.81	9.85	-58.74
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020253812	1	55	0.0	-67.00	407.60	9.18	-57.82
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020253813	0	52	0.0	-65.62	380.71	8.45	-57.17
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020253813	1	52	0.0	-67.53	387.17	8.44	-59.09
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020253813	1	52	0.0	-65.61	380.77	8.48	-57.13
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020253813	1	52	0.0	-67.59	387.24	8.45	-59.14
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300020253814	0	56	-1.0	-43.48	423.05	7.34	-36.14
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300020253814	1	56	-1.0	-43.51	423.11	7.35	-36.16
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300020253815	0	53	-1.0	-44.27	411.93	5.60	-38.67
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300020253815	1	53	-1.0	-44.29	411.98	5.62	-38.67
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253816	0	45	-1.0	-41.55	356.01	8.47	-33.08
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253816	1	45	-1.0	-41.58	356.06	8.46	-33.12
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020253817	0	41	-1.0	-45.46	336.27	3.58	-41.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020253817	1	41	-1.0	-45.48	336.33	3.60	-41.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020253818	0	38	-1.0	-47.94	314.83	2.83	-45.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020253818	1	38	-1.0	-47.92	314.77	2.81	-45.11
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020253819	0	45	-1.0	-45.10	368.14	6.89	-38.21
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020253819	1	45	-1.0	-45.11	367.93	6.87	-38.24
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CNC3=CC(F)=CC=C23)CC1	REAL300020253820	0	48	-1.0	-46.73	398.76	8.44	-38.29
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CNC3=CC(F)=CC=C23)CC1	REAL300020253820	1	48	-1.0	-46.72	398.81	8.46	-38.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CNC3=CC(F)=CC=C23)CC1	REAL300020253821	0	45	-1.0	-48.97	377.26	7.65	-41.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CNC3=CC(F)=CC=C23)CC1	REAL300020253821	1	45	-1.0	-48.97	377.32	7.67	-41.30
COC1=CC=C2NC=C(C3=CCN(C4=NN=C(CC5=N[N-]N=N5)N4C)CC3)C2=C1	REAL300020253822	0	49	-1.0	-56.87	397.55	6.44	-50.43
COC1=CC=C2NC=C(C3=CCN(C4=NN=C(CC5=NN=N[N-]5)N4C)CC3)C2=C1	REAL300020253822	1	49	-1.0	-56.84	397.61	6.47	-50.37
CN(CC1=CC=CC=C1O)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253823	0	40	-1.0	-41.23	339.99	4.11	-37.12
CN(CC1=CC=CC=C1O)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253823	1	40	-1.0	-41.23	340.05	4.12	-37.11
CN(CC1=CC=CC=C1O)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253824	0	37	-1.0	-44.82	306.85	3.82	-41.00
CN(CC1=CC=CC=C1O)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253824	1	37	-1.0	-44.85	306.78	3.80	-41.05
CN(CC1=CC=CC=C1O)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253825	0	44	-1.0	-43.99	359.18	6.67	-37.32
CN(CC1=CC=CC=C1O)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253825	1	44	-1.0	-43.98	359.23	6.66	-37.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Br)C=C2C1	REAL300020253826	0	40	-1.0	-42.67	346.55	7.05	-35.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Br)C=C2C1	REAL300020253826	1	40	-1.0	-42.65	346.61	7.07	-35.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Br)C=C2C1	REAL300020253827	0	37	-1.0	-45.01	325.05	6.28	-38.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Br)C=C2C1	REAL300020253827	1	37	-1.0	-45.05	325.10	6.30	-38.75
C#CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCC2=CC=CC=C21	REAL300020253828	0	45	-1.0	-40.40	357.91	8.62	-31.78
C#CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCC2=CC=CC=C21	REAL300020253828	1	45	-1.0	-40.44	357.96	8.64	-31.80
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCC2=CC=CC=C21	REAL300020253829	0	42	-1.0	-50.03	346.36	7.81	-42.22
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCC2=CC=CC=C21	REAL300020253829	1	42	-1.0	-50.05	346.29	7.79	-42.26
C#CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCC2=CC=CC=C21	REAL300020253830	0	49	-1.0	-47.43	398.97	10.72	-36.71
C#CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCC2=CC=CC=C21	REAL300020253830	1	49	-1.0	-47.41	399.01	10.71	-36.70
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253831	0	45	-1.0	-42.43	363.06	7.82	-34.61
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253831	1	45	-1.0	-42.47	363.12	7.84	-34.63
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253832	0	42	-1.0	-46.09	339.99	7.05	-39.04
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253832	1	42	-1.0	-46.07	339.93	7.03	-39.04
CCN(CCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253833	0	49	-1.0	-44.67	393.68	9.83	-34.84
CCN(CCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253833	1	49	-1.0	-44.66	393.72	9.82	-34.84
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253834	0	46	-1.0	-44.50	371.82	7.14	-37.36
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253834	1	46	-1.0	-44.50	371.88	7.16	-37.34
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253835	0	43	-1.0	-45.24	351.69	6.46	-38.78
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253835	1	43	-1.0	-45.16	351.64	6.44	-38.72
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253836	0	50	-1.0	-46.23	404.82	9.29	-36.94
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253836	1	50	-1.0	-46.21	404.83	9.28	-36.93
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020253837	0	45	-1.0	-45.48	390.18	6.67	-38.81
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020253837	1	45	-1.0	-45.53	390.24	6.68	-38.85
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020253838	0	42	-1.0	-47.86	369.41	5.92	-41.94
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020253838	1	42	-1.0	-47.88	369.47	5.94	-41.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CSC=C2)CC1	REAL300020253839	0	47	-1.0	-48.14	384.35	7.17	-40.97
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CSC=C2)CC1	REAL300020253839	1	47	-1.0	-48.19	384.40	7.19	-41.00
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CSC=C2)CC1	REAL300020253840	0	44	-1.0	-47.01	357.18	5.96	-41.05
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CSC=C2)CC1	REAL300020253840	1	44	-1.0	-46.99	357.23	5.99	-41.00
CC(C)C(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253841	0	49	-1.0	-45.57	378.89	6.27	-39.30
CC(C)C(=O)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253841	1	49	-1.0	-45.59	378.95	6.28	-39.31
CC(C)C(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253842	0	46	-1.0	-42.92	357.19	5.27	-37.65
CC(C)C(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253842	1	46	-1.0	-42.94	357.25	5.29	-37.65
CC(C)C(=O)N1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253843	0	53	-1.0	-50.46	402.40	8.63	-41.83
CC(C)C(=O)N1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253843	1	53	-1.0	-50.48	402.43	8.63	-41.85
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020253844	0	49	-1.0	-40.08	377.82	9.31	-30.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020253844	1	49	-1.0	-40.10	377.88	9.33	-30.77
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020253845	0	46	-1.0	-43.15	358.30	8.35	-34.80
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020253845	1	46	-1.0	-43.14	358.36	8.37	-34.77
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020253846	0	53	-1.0	-42.28	409.80	11.49	-30.79
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020253846	1	53	-1.0	-42.23	409.80	11.48	-30.75
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253847	0	51	0.0	-63.87	387.93	6.98	-56.89
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253847	1	51	0.0	-63.91	387.99	7.00	-56.91
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253848	0	48	0.0	-66.04	367.54	6.25	-59.79
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253848	1	48	0.0	-66.06	367.60	6.27	-59.79
CCC[NH+]1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253849	0	55	0.0	-68.18	415.71	9.64	-58.54
CCC[NH+]1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253849	1	55	0.0	-68.19	415.80	9.64	-58.55
CC(C)N(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253850	0	45	-1.0	-42.32	384.00	7.84	-34.48
CC(C)N(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253850	1	45	-1.0	-42.36	384.06	7.86	-34.50
CC(C)N(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253851	0	42	-1.0	-44.15	364.36	6.91	-37.24
CC(C)N(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253851	1	42	-1.0	-44.18	364.41	6.93	-37.25
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020253852	0	58	0.0	-68.34	415.86	9.25	-59.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020253852	1	58	0.0	-69.43	417.63	9.68	-59.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020253852	1	58	0.0	-68.33	415.91	9.26	-59.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020253852	1	58	0.0	-69.47	417.69	9.70	-59.77
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020253853	0	55	0.0	-61.43	392.58	8.85	-52.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020253853	1	55	0.0	-69.16	394.78	8.87	-60.29
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020253853	1	55	0.0	-61.45	392.64	8.88	-52.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020253853	1	55	0.0	-69.20	394.84	8.89	-60.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C(Cl)=C1)C1CC1	REAL300020253854	0	43	-1.0	-41.33	385.31	9.63	-31.70
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C(Cl)=C1)C1CC1	REAL300020253854	1	43	-1.0	-41.33	385.36	9.64	-31.69
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C(Cl)=C1)C1CC1	REAL300020253855	0	40	-1.0	-43.18	364.35	8.69	-34.49
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C(Cl)=C1)C1CC1	REAL300020253855	1	40	-1.0	-43.14	364.40	8.71	-34.43
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253856	0	47	-1.0	-43.64	386.09	7.76	-35.88
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253856	1	47	-1.0	-43.65	386.15	7.77	-35.88
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253857	0	44	-1.0	-44.60	366.40	7.06	-37.54
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253857	1	44	-1.0	-44.64	366.36	7.03	-37.61
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020253858	0	43	-1.0	-40.81	347.31	6.98	-33.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020253858	1	43	-1.0	-40.82	347.37	6.99	-33.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020253859	0	40	-1.0	-42.92	326.26	6.22	-36.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020253859	1	40	-1.0	-42.87	326.20	6.19	-36.68
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020253860	0	47	-1.0	-46.44	389.22	10.91	-35.53
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020253860	1	47	-1.0	-46.42	389.26	10.90	-35.52
COCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253861	0	46	-1.0	-42.27	364.77	3.06	-39.21
COCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253861	1	46	-1.0	-42.32	364.83	3.07	-39.25
COCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253862	0	43	-1.0	-45.36	344.20	2.30	-43.06
COCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253862	1	43	-1.0	-45.36	344.26	2.32	-43.04
COCCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253863	0	50	-1.0	-44.18	397.13	5.11	-39.07
COCCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253863	1	50	-1.0	-44.24	397.17	5.10	-39.14
CCC1(CC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253864	0	51	-1.0	-39.07	368.64	8.96	-30.11
CCC1(CC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253864	1	51	-1.0	-39.11	368.70	8.97	-30.14
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253865	0	48	-1.0	-41.67	343.79	6.96	-34.71
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253865	1	48	-1.0	-41.69	343.84	6.98	-34.71
CCC1(CC)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253866	0	55	-1.0	-41.33	396.10	9.80	-31.53
CCC1(CC)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253866	1	55	-1.0	-41.29	396.15	9.78	-31.51
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020253867	0	49	-1.0	-41.40	377.09	8.80	-32.60
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020253867	1	49	-1.0	-41.40	377.14	8.82	-32.58
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020253868	0	46	-1.0	-44.06	355.65	8.03	-36.03
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020253868	1	46	-1.0	-44.04	355.59	8.01	-36.03
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253869	0	43	-1.0	-41.11	340.46	4.24	-36.87
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253869	1	43	-1.0	-41.11	340.52	4.25	-36.86
C[C@H]1COC(C)(C)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253870	0	47	-1.0	-43.55	363.22	7.38	-36.17
C[C@H]1COC(C)(C)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253870	1	47	-1.0	-43.59	363.27	7.36	-36.23
C=CCC1N(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCCC1(C)C	REAL300020253871	0	49	-1.0	-41.20	356.01	6.53	-34.67
C=CCC1N(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCCC1(C)C	REAL300020253871	1	49	-1.0	-41.20	356.07	6.55	-34.65
C=CCC1N(C2=NN=C(CC3=NN=N[N-]3)N2C)CCCC1(C)C	REAL300020253872	0	46	-1.0	-44.55	335.59	5.80	-38.75
C=CCC1N(C2=NN=C(CC3=N[N-]N=N3)N2C)CCCC1(C)C	REAL300020253872	1	46	-1.0	-44.58	335.54	5.78	-38.80
C=CCC1N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCCC1(C)C	REAL300020253873	0	53	-1.0	-43.31	388.33	8.66	-34.65
C=CCC1N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCCC1(C)C	REAL300020253873	1	53	-1.0	-43.28	388.36	8.63	-34.65
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C3CCCCN32)CC1	REAL300020253874	0	53	-1.0	-44.69	409.75	8.89	-35.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C3CCCCN32)CC1	REAL300020253874	1	53	-1.0	-44.67	409.81	8.91	-35.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=[NH+]C=C3CCCCN32)CC1	REAL300020253874	1	54	0.0	-60.47	411.96	9.53	-50.94
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C3CCCCN32)CC1	REAL300020253875	0	50	-1.0	-48.76	389.36	8.13	-40.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C3CCCCN32)CC1	REAL300020253875	1	50	-1.0	-48.75	389.42	8.16	-40.59
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=[NH+]C=C3CCCCN32)CC1	REAL300020253875	1	51	0.0	-59.35	390.47	8.75	-50.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020253876	0	45	-1.0	-54.38	359.30	3.83	-50.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020253876	1	45	-1.0	-54.37	359.36	3.84	-50.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020253877	0	42	-1.0	-56.27	335.58	2.62	-53.65
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020253877	1	42	-1.0	-56.32	335.63	2.65	-53.67
CC1=CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020253878	0	41	-1.0	-42.61	325.68	7.65	-34.96
CC1=CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020253878	1	41	-1.0	-42.54	325.73	7.63	-34.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020253879	0	34	-1.0	-41.64	300.07	4.92	-36.72
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020253879	1	34	-1.0	-41.65	300.13	4.93	-36.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020253880	0	31	-1.0	-44.07	278.57	4.13	-39.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020253880	1	31	-1.0	-44.10	278.63	4.16	-39.94
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC=C(Br)C1	REAL300020253881	0	38	-1.0	-42.23	333.51	7.97	-34.26
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC=C(Br)C1	REAL300020253881	1	38	-1.0	-42.17	333.57	7.96	-34.21
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253882	0	46	-1.0	-40.61	345.17	5.68	-34.93
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253882	1	46	-1.0	-40.60	345.22	5.69	-34.91
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253883	0	43	-1.0	-41.46	329.67	4.39	-37.07
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253883	1	43	-1.0	-41.45	329.73	4.41	-37.04
COC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020253884	0	50	-1.0	-42.81	376.40	7.77	-35.04
COC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020253884	1	50	-1.0	-42.78	376.46	7.75	-35.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020253885	0	46	-1.0	-39.98	370.66	8.05	-31.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020253885	1	46	-1.0	-39.95	370.72	8.06	-31.89
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020253886	0	43	-1.0	-43.93	337.94	6.46	-37.47
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020253886	1	43	-1.0	-43.86	338.00	6.49	-37.37
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020253887	0	50	-1.0	-42.10	402.56	10.14	-31.96
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020253887	1	50	-1.0	-42.07	402.61	10.13	-31.94
CC1=C(Br)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253888	0	37	-1.0	-40.11	317.65	6.53	-33.58
CC1=C(Br)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253888	1	37	-1.0	-40.11	317.71	6.55	-33.56
CC1=C(Br)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253889	0	34	-1.0	-42.34	296.15	5.75	-36.59
CC1=C(Br)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253889	1	34	-1.0	-42.30	296.21	5.77	-36.53
CC(C)=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253890	0	49	-1.0	-39.69	410.24	9.59	-30.10
CC(C)=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253890	1	49	-1.0	-39.73	410.30	9.60	-30.13
CC(C)=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253891	0	46	-1.0	-41.55	397.05	9.11	-32.44
CC(C)=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253891	1	46	-1.0	-41.58	397.11	9.13	-32.45
CCN(CC1=CC=CC=C1Br)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253892	0	42	-1.0	-42.99	357.89	7.57	-35.42
CCN(CC1=CC=CC=C1Br)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253892	1	42	-1.0	-43.03	357.95	7.58	-35.45
CCN(CC1=CC=CC=C1Br)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253893	0	39	-1.0	-47.29	337.34	6.81	-40.48
CCN(CC1=CC=CC=C1Br)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253893	1	39	-1.0	-47.30	337.40	6.83	-40.47
COC1=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=CC=C1F	REAL300020253894	0	49	-1.0	-44.53	392.40	5.76	-38.77
COC1=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=CC=C1F	REAL300020253894	1	49	-1.0	-44.50	392.46	5.77	-38.73
COC1=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=CC=C1F	REAL300020253895	0	46	-1.0	-46.53	370.90	4.97	-41.56
COC1=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=CC=C1F	REAL300020253895	1	46	-1.0	-46.53	370.96	5.00	-41.53
CC(C1=CC=CC=C1)N(C)C(=O)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253896	0	52	-1.0	-42.26	414.66	7.82	-34.44
CC(C1=CC=CC=C1)N(C)C(=O)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253896	1	52	-1.0	-42.33	414.72	7.84	-34.49
CC(C1=CC=CC=C1)N(C)C(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253897	0	49	-1.0	-45.05	395.02	7.11	-37.94
CC(C1=CC=CC=C1)N(C)C(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253897	1	49	-1.0	-45.04	395.08	7.12	-37.92
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020253898	0	37	-1.0	-42.95	311.47	3.93	-39.02
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020253898	1	37	-1.0	-42.94	311.53	3.94	-39.00
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020253899	0	34	-1.0	-44.60	286.91	2.58	-42.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020253899	1	34	-1.0	-44.62	286.97	2.60	-42.02
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020253900	0	41	-1.0	-44.90	340.30	5.48	-39.42
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020253900	1	41	-1.0	-44.87	340.37	5.47	-39.40
CC(=O)NCCN(CC1=CSC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253901	0	46	-1.0	-44.22	399.75	4.68	-39.54
CC(=O)NCCN(CC1=CSC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253901	1	46	-1.0	-44.23	399.81	4.70	-39.53
CC(=O)NCCN(CC1=CSC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253902	0	43	-1.0	-47.64	380.17	4.10	-43.54
CC(=O)NCCN(CC1=CSC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253902	1	43	-1.0	-47.67	380.22	4.13	-43.54
CC(=O)NCCN(CC1=CC=C(C)S1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253903	0	49	-1.0	-45.31	411.98	5.01	-40.30
CC(=O)NCCN(CC1=CC=C(C)S1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253903	1	49	-1.0	-45.32	412.04	5.02	-40.30
CC(=O)NCCN(CC1=CC=C(C)S1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253904	0	46	-1.0	-48.59	392.02	4.28	-44.31
CC(=O)NCCN(CC1=CC=C(C)S1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253904	1	46	-1.0	-48.59	392.08	4.31	-44.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020253905	0	40	-1.0	-42.98	325.25	6.44	-36.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020253905	1	40	-1.0	-43.02	325.30	6.45	-36.57
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020253906	0	44	-1.0	-45.30	355.89	8.50	-36.80
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020253906	1	44	-1.0	-45.27	355.93	8.48	-36.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020253907	0	49	-1.0	-42.47	361.56	7.73	-34.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020253907	1	49	-1.0	-42.42	361.62	7.75	-34.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020253908	0	46	-1.0	-45.24	340.34	6.94	-38.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020253908	1	46	-1.0	-45.24	340.39	6.96	-38.28
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020253909	0	53	-1.0	-44.42	391.96	9.68	-34.74
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020253909	1	53	-1.0	-44.41	391.99	9.67	-34.74
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCS(=O)(=O)C1	REAL300020253910	0	39	-1.0	-52.55	324.01	2.08	-50.47
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCS(=O)(=O)C1	REAL300020253910	1	39	-1.0	-52.55	324.07	2.09	-50.46
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCS(=O)(=O)C1	REAL300020253911	0	36	-1.0	-48.52	302.63	1.32	-47.20
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCS(=O)(=O)C1	REAL300020253911	1	36	-1.0	-48.53	302.69	1.35	-47.18
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCS(=O)(=O)C1	REAL300020253912	0	43	-1.0	-54.76	359.47	3.94	-50.82
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCS(=O)(=O)C1	REAL300020253912	1	43	-1.0	-54.66	359.51	3.92	-50.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020253913	0	46	-1.0	-42.28	373.49	3.51	-38.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020253913	1	46	-1.0	-42.34	373.55	3.53	-38.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020253914	0	43	-1.0	-43.97	351.99	2.73	-41.24
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020253914	1	43	-1.0	-43.97	352.05	2.75	-41.22
CCCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253915	0	45	-1.0	-42.25	364.53	7.82	-34.43
CCCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253915	1	45	-1.0	-42.28	364.58	7.81	-34.47
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253916	0	41	-1.0	-42.25	347.89	7.64	-34.61
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253916	1	41	-1.0	-42.26	347.92	7.64	-34.62
COCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253917	0	43	-1.0	-40.82	356.31	2.62	-38.20
COCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253917	1	43	-1.0	-40.84	356.37	2.64	-38.20
COCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253918	0	47	-1.0	-42.51	388.25	4.57	-37.94
COCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253918	1	47	-1.0	-42.51	388.30	4.56	-37.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020253919	0	43	-1.0	-40.90	350.12	4.22	-36.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020253919	1	43	-1.0	-40.91	350.18	4.23	-36.68
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020253920	0	40	-1.0	-48.23	329.21	4.15	-44.08
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020253920	1	40	-1.0	-48.19	329.16	4.12	-44.07
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020253921	0	47	-1.0	-46.14	381.69	6.97	-39.17
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020253921	1	47	-1.0	-46.12	381.73	6.96	-39.16
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCCCC1	REAL300020253922	0	45	-1.0	-40.22	339.38	6.88	-33.34
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCCCC1	REAL300020253922	1	45	-1.0	-40.23	339.44	6.89	-33.34
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCCCC1	REAL300020253923	0	49	-1.0	-42.20	376.06	9.07	-33.13
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCCCC1	REAL300020253923	1	49	-1.0	-42.16	376.10	9.06	-33.10
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253924	0	42	-1.0	-40.74	341.78	7.04	-33.70
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253924	1	42	-1.0	-40.78	341.83	7.06	-33.72
CCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253925	0	46	-1.0	-44.58	370.44	10.28	-34.30
CCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253925	1	46	-1.0	-44.60	370.46	10.28	-34.32
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCC1	REAL300020253926	0	46	-1.0	-42.88	343.78	9.61	-33.27
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCC1	REAL300020253926	1	46	-1.0	-42.93	343.82	9.60	-33.33
CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253927	0	45	-1.0	-43.65	354.26	7.64	-36.01
CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253927	1	45	-1.0	-43.68	354.27	7.64	-36.04
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253928	0	46	-1.0	-43.65	364.03	8.44	-35.21
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253928	1	46	-1.0	-43.68	364.06	8.43	-35.25
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253929	0	43	-1.0	-43.41	344.70	7.30	-36.11
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253929	1	43	-1.0	-43.38	344.75	7.30	-36.08
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253930	0	47	-1.0	-50.62	393.59	6.15	-44.47
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253930	1	47	-1.0	-50.60	393.65	6.16	-44.44
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253931	0	44	-1.0	-55.21	371.84	5.18	-50.03
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253931	1	44	-1.0	-55.21	371.90	5.21	-50.00
COCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253932	0	46	-1.0	-40.71	372.38	6.64	-34.07
COCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253932	1	46	-1.0	-40.74	372.43	6.65	-34.09
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253933	0	43	-1.0	-46.15	348.08	5.34	-40.81
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253933	1	43	-1.0	-46.11	348.02	5.32	-40.79
COCCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253934	0	50	-1.0	-44.94	403.94	9.37	-35.57
COCCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253934	1	50	-1.0	-44.92	403.99	9.36	-35.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020253935	0	45	-1.0	-48.93	382.05	7.63	-41.30
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020253935	1	45	-1.0	-48.93	382.11	7.65	-41.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020253936	0	42	-1.0	-50.67	360.55	6.84	-43.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020253936	1	42	-1.0	-50.64	360.61	6.86	-43.78
CN(CC(=O)NC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253937	0	40	-1.0	-43.28	374.05	5.70	-37.58
CN(CC(=O)NC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253937	1	40	-1.0	-43.29	374.10	5.73	-37.56
COC1=CC=CC=C1CN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253938	0	47	-1.0	-44.80	398.56	8.78	-36.02
COC1=CC=CC=C1CN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253938	1	47	-1.0	-44.79	398.50	8.75	-36.04
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020253939	0	46	-1.0	-41.21	389.52	8.48	-32.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020253939	1	46	-1.0	-41.22	389.57	8.50	-32.72
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020253940	0	43	-1.0	-45.29	359.39	8.63	-36.66
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020253940	1	43	-1.0	-45.27	359.33	8.60	-36.67
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020253941	0	47	-1.0	-44.13	369.48	6.15	-37.98
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020253941	1	47	-1.0	-44.07	369.54	6.16	-37.91
COC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020253942	0	44	-1.0	-46.18	348.04	5.39	-40.79
COC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020253942	1	44	-1.0	-46.16	347.99	5.38	-40.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020253943	0	49	-1.0	-46.81	396.33	7.92	-38.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020253943	1	49	-1.0	-46.81	396.39	7.93	-38.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020253944	0	46	-1.0	-50.47	371.24	6.99	-43.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020253944	1	46	-1.0	-50.51	371.29	7.01	-43.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020253945	0	43	-1.0	-42.06	372.95	7.00	-35.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020253945	1	43	-1.0	-42.05	373.01	7.01	-35.04
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020253946	0	40	-1.0	-45.80	342.66	5.76	-40.04
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020253946	1	40	-1.0	-45.78	342.61	5.74	-40.04
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253947	0	39	-1.0	-39.15	356.06	7.01	-32.14
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253947	1	39	-1.0	-39.11	356.12	7.03	-32.08
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253948	0	36	-1.0	-41.87	333.68	6.19	-35.68
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253948	1	36	-1.0	-41.88	333.74	6.22	-35.66
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253949	0	40	-1.0	-41.21	360.48	7.44	-33.77
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253949	1	40	-1.0	-41.28	360.53	7.45	-33.83
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253950	0	37	-1.0	-40.79	347.31	7.01	-33.78
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253950	1	37	-1.0	-40.78	347.25	6.98	-33.80
CC(C1=CC=C(S(N)(=O)=O)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253951	0	47	-1.0	-47.30	392.91	3.03	-44.27
CC(C1=CC=C(S(N)(=O)=O)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253951	1	47	-1.0	-47.36	392.97	3.05	-44.31
CC(C1=CC=C(S(N)(=O)=O)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253952	0	44	-1.0	-47.62	366.14	2.10	-45.52
CC(C1=CC=C(S(N)(=O)=O)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253952	1	44	-1.0	-47.56	366.20	2.12	-45.44
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253953	0	40	-1.0	-39.81	344.53	6.81	-33.00
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253953	1	40	-1.0	-39.82	344.59	6.82	-33.00
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253954	0	37	-1.0	-42.72	331.46	6.51	-36.21
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253954	1	37	-1.0	-42.71	331.41	6.49	-36.22
C=CCN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253955	0	44	-1.0	-41.97	377.41	8.92	-33.05
C=CCN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253955	1	44	-1.0	-41.94	377.42	8.91	-33.03
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253956	0	45	-1.0	-46.90	364.75	6.84	-40.06
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253956	1	45	-1.0	-46.89	364.81	6.85	-40.04
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253957	0	42	-1.0	-50.68	344.20	6.08	-44.60
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253957	1	42	-1.0	-50.67	344.25	6.10	-44.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)CC1=CC=CS1	REAL300020253958	0	43	-1.0	-40.51	379.79	7.93	-32.58
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)CC1=CC=CS1	REAL300020253958	1	43	-1.0	-40.51	379.84	7.95	-32.56
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)CC1=CC=CS1	REAL300020253959	0	40	-1.0	-44.78	366.79	7.89	-36.89
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)CC1=CC=CS1	REAL300020253959	1	40	-1.0	-44.82	366.72	7.87	-36.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NOC(C(C)(C)C)=N2)CC1	REAL300020253960	0	52	-1.0	-46.16	419.56	3.04	-43.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NOC(C(C)(C)C)=N2)CC1	REAL300020253960	1	52	-1.0	-46.15	419.61	3.06	-43.09
CC1=CC=C(CC(C)N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020253961	0	48	-1.0	-40.48	383.06	9.26	-31.22
CC1=CC=C(CC(C)N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020253961	1	48	-1.0	-40.50	383.12	9.28	-31.22
CC1=CC=C(CC(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020253962	0	45	-1.0	-42.20	362.89	8.52	-33.68
CC1=CC=C(CC(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020253962	1	45	-1.0	-42.21	362.94	8.54	-33.67
CC1=CC=C(CC(C)N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020253963	0	52	-1.0	-44.30	410.52	11.49	-32.81
CC1=CC=C(CC(C)N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020253963	1	52	-1.0	-44.34	410.56	11.48	-32.86
CC(C)C1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020253964	0	52	-1.0	-42.80	408.37	10.61	-32.19
CC(C)C1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020253964	1	52	-1.0	-42.74	408.43	10.63	-32.11
CC(C)C1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020253965	0	49	-1.0	-41.01	376.73	8.45	-32.56
CC(C)C1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020253965	1	49	-1.0	-40.99	376.77	8.47	-32.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020253966	0	40	-1.0	-40.83	336.01	7.68	-33.15
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020253966	1	40	-1.0	-40.81	336.07	7.69	-33.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020253967	0	37	-1.0	-43.33	315.52	6.94	-36.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020253967	1	37	-1.0	-43.30	315.46	6.92	-36.38
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020253968	0	44	-1.0	-43.02	368.09	9.80	-33.22
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020253968	1	44	-1.0	-43.01	367.88	9.78	-33.23
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020253969	0	40	-1.0	-42.38	353.12	7.29	-35.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020253969	1	40	-1.0	-42.40	353.18	7.31	-35.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020253970	0	37	-1.0	-43.95	331.62	6.50	-37.45
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020253970	1	37	-1.0	-44.00	331.67	6.52	-37.48
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253971	0	41	-1.0	-54.90	345.28	1.57	-53.33
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253971	1	41	-1.0	-54.86	345.34	1.58	-53.28
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253972	0	38	-1.0	-58.09	322.17	0.78	-57.31
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253972	1	38	-1.0	-58.05	322.23	0.80	-57.25
CCN(CCS(C)(=O)=O)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253973	0	45	-1.0	-58.07	374.88	3.63	-54.44
CCN(CCS(C)(=O)=O)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253973	1	45	-1.0	-58.02	374.92	3.63	-54.39
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020253974	0	42	-1.0	-52.83	358.07	3.27	-49.56
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020253974	1	42	-1.0	-52.90	358.12	3.28	-49.62
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020253975	0	39	-1.0	-55.30	338.11	2.44	-52.86
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020253975	1	39	-1.0	-55.36	338.16	2.47	-52.89
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020253976	0	46	-1.0	-54.27	390.24	5.39	-48.88
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020253976	1	46	-1.0	-54.21	390.30	5.37	-48.84
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL300020253977	0	40	-1.0	-40.09	362.46	8.28	-31.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL300020253977	1	40	-1.0	-40.05	362.52	8.30	-31.75
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL300020253978	0	37	-1.0	-43.42	342.01	7.52	-35.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL300020253978	1	37	-1.0	-43.42	342.07	7.55	-35.87
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020253979	0	46	-1.0	-43.77	364.37	8.43	-35.34
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020253979	1	46	-1.0	-43.79	364.39	8.42	-35.37
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Br)=CC=C2C1	REAL300020253980	0	40	-1.0	-42.87	346.54	7.05	-35.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Br)=CC=C2C1	REAL300020253980	1	40	-1.0	-42.84	346.60	7.07	-35.77
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Br)=CC=C2C1	REAL300020253981	0	37	-1.0	-44.71	321.95	6.18	-38.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Br)=CC=C2C1	REAL300020253981	1	37	-1.0	-44.72	322.00	6.21	-38.51
CC1=NC2=CC=CC=C2N1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020253982	0	52	-1.0	-45.54	406.85	9.39	-36.15
CC1=NC2=CC=CC=C2N1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020253982	1	52	-1.0	-45.50	406.90	9.40	-36.10
CC1=NC2=CC=CC=C2N1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253983	0	49	-1.0	-48.16	386.45	8.62	-39.54
CC1=NC2=CC=CC=C2N1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253983	1	49	-1.0	-48.21	386.51	8.65	-39.56
CCC1=NC2=CC=CC=C2N1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020253984	0	52	-1.0	-47.63	407.68	9.22	-38.41
CCC1=NC2=CC=CC=C2N1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020253984	1	52	-1.0	-47.64	407.73	9.24	-38.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300020253985	0	53	0.0	-72.24	398.03	6.40	-65.84
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300020253985	1	53	0.0	-65.75	403.30	6.71	-59.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300020253986	0	50	0.0	-65.94	379.53	5.89	-60.05
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300020253986	1	50	0.0	-65.25	381.80	5.94	-59.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Br	REAL300020253987	0	40	-1.0	-45.67	348.18	8.74	-36.93
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Br	REAL300020253987	1	40	-1.0	-45.66	348.24	8.77	-36.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020253988	0	40	-1.0	-42.70	341.98	6.95	-35.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020253988	1	40	-1.0	-42.70	342.04	6.96	-35.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020253989	0	37	-1.0	-45.03	320.54	6.20	-38.83
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020253989	1	37	-1.0	-45.02	320.48	6.17	-38.85
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020253990	0	44	-1.0	-43.41	373.84	10.26	-33.15
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020253990	1	44	-1.0	-43.46	373.64	10.24	-33.22
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020253991	0	40	-1.0	-43.39	334.02	6.46	-36.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020253991	1	40	-1.0	-43.44	334.08	6.47	-36.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020253992	0	37	-1.0	-44.82	312.26	5.65	-39.17
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020253992	1	37	-1.0	-44.85	312.32	5.68	-39.17
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020253993	0	44	-1.0	-46.22	365.95	8.56	-37.66
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020253993	1	44	-1.0	-46.18	365.98	8.55	-37.63
COCCOCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253994	0	53	-1.0	-44.46	439.30	6.56	-37.90
COCCOCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253994	1	53	-1.0	-44.48	439.36	6.57	-37.91
COCCOCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020253995	0	50	-1.0	-48.51	404.87	6.69	-41.82
COCCOCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020253995	1	50	-1.0	-48.55	404.94	6.71	-41.84
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020253996	0	45	-1.0	-48.31	364.08	8.64	-39.67
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020253996	1	45	-1.0	-48.30	364.03	8.63	-39.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020253997	0	42	-1.0	-51.52	342.59	7.86	-43.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020253997	1	42	-1.0	-51.52	342.53	7.83	-43.69
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020253998	0	49	-1.0	-50.28	396.04	10.72	-39.56
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020253998	1	49	-1.0	-50.22	395.99	10.73	-39.49
CSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020253999	0	42	-1.0	-40.80	349.13	6.42	-34.38
CSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020253999	1	42	-1.0	-40.79	349.19	6.44	-34.35
CSCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254000	0	46	-1.0	-43.40	373.60	8.96	-34.44
CSCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254000	1	46	-1.0	-43.39	373.61	8.95	-34.44
CN(CC1=NOC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254001	0	39	-1.0	-47.74	330.01	6.57	-41.17
CN(CC1=NOC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254001	1	39	-1.0	-47.72	330.03	6.56	-41.16
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254002	0	46	-1.0	-43.01	376.50	9.02	-33.99
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254002	1	46	-1.0	-43.00	376.56	9.03	-33.97
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254003	0	43	-1.0	-44.28	356.32	8.01	-36.27
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254003	1	43	-1.0	-44.25	356.38	8.03	-36.22
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254004	0	55	0.0	-68.25	411.97	10.15	-58.10
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254004	1	55	0.0	-66.82	415.52	9.98	-56.84
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254005	0	52	0.0	-63.92	394.05	9.16	-54.76
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254005	1	52	0.0	-65.50	394.86	8.54	-56.96
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254005	1	52	0.0	-63.89	394.10	9.18	-54.71
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254005	1	52	0.0	-65.51	394.93	8.57	-56.94
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1C	REAL300020254006	0	48	0.0	-63.62	362.28	6.19	-57.43
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1C	REAL300020254006	1	48	0.0	-64.75	351.79	6.43	-58.32
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1C	REAL300020254006	1	48	0.0	-63.64	362.34	6.21	-57.43
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1C	REAL300020254006	1	48	0.0	-64.74	351.85	6.45	-58.29
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1C	REAL300020254007	0	45	0.0	-67.16	329.27	5.05	-62.11
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1C	REAL300020254007	1	45	0.0	-61.95	323.89	6.27	-55.68
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1C	REAL300020254007	1	45	0.0	-67.16	329.33	5.08	-62.08
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1C	REAL300020254007	1	45	0.0	-61.94	323.95	6.30	-55.64
CC[N@@H+]1CC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1C	REAL300020254008	0	52	0.0	-69.41	377.31	9.23	-60.18
CC[N@H+]1CC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1C	REAL300020254008	1	52	0.0	-69.17	384.39	8.88	-60.29
CC[N@@H+]1CC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1C	REAL300020254008	1	52	0.0	-69.43	377.34	9.23	-60.20
CC[N@H+]1CC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1C	REAL300020254008	1	52	0.0	-69.16	384.45	8.86	-60.30
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254009	0	49	-1.0	-42.24	385.40	9.41	-32.83
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254009	1	49	-1.0	-42.24	385.45	9.43	-32.81
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254010	0	46	-1.0	-44.74	364.81	8.65	-36.09
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254010	1	46	-1.0	-44.77	364.89	8.68	-36.09
CCN(CC1CCN(C2=CC=CC=N2)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254011	0	56	-1.0	-45.55	435.67	8.53	-37.02
CCN(CC1CCN(C2=CC=CC=N2)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254011	1	56	-1.0	-45.56	435.73	8.55	-37.01
CCN(CC1CCN(C2=CC=CC=N2)CC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254012	0	53	-1.0	-45.63	418.37	7.29	-38.34
CCN(CC1CCN(C2=CC=CC=N2)CC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254012	1	53	-1.0	-45.65	418.42	7.31	-38.34
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254013	0	46	-1.0	-41.25	362.07	7.56	-33.69
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254013	1	46	-1.0	-41.27	362.13	7.58	-33.69
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254014	0	43	-1.0	-44.45	341.45	6.85	-37.60
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254014	1	43	-1.0	-44.46	341.38	6.83	-37.63
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254015	0	50	-1.0	-43.41	391.42	9.67	-33.74
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254015	1	50	-1.0	-43.41	391.41	9.66	-33.75
CC(C)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C(C)C1=O	REAL300020254016	0	49	-1.0	-44.21	385.47	5.81	-38.40
CC(C)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C(C)C1=O	REAL300020254016	1	49	-1.0	-44.23	385.53	5.82	-38.41
CC(C)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C(C)C1=O	REAL300020254017	0	46	-1.0	-45.21	355.51	5.59	-39.62
CC(C)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)C1=O	REAL300020254017	1	46	-1.0	-45.23	355.56	5.61	-39.62
CC(C)CN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C(C)C1=O	REAL300020254018	0	53	-1.0	-48.26	410.00	8.54	-39.72
CC(C)CN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C(C)C1=O	REAL300020254018	1	53	-1.0	-48.26	410.04	8.53	-39.73
CC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C(C)C2)C=C1C	REAL300020254019	0	54	-1.0	-41.46	418.68	7.58	-33.88
CC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C(C)C2)C=C1C	REAL300020254019	1	54	-1.0	-41.48	418.74	7.60	-33.88
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C(C)C2)C=C1C	REAL300020254020	0	51	-1.0	-44.01	397.71	6.34	-37.67
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C(C)C2)C=C1C	REAL300020254020	1	51	-1.0	-44.01	397.77	6.37	-37.64
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C1(C)C	REAL300020254021	0	49	-1.0	-41.58	385.47	6.54	-35.04
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C1(C)C	REAL300020254021	1	49	-1.0	-41.51	385.53	6.55	-34.96
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C1(C)C	REAL300020254022	0	46	-1.0	-42.41	363.05	5.72	-36.69
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C1(C)C	REAL300020254022	1	46	-1.0	-42.39	363.10	5.74	-36.65
CCOC1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1(C)C	REAL300020254023	0	53	-1.0	-44.29	410.99	9.01	-35.28
CCOC1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1(C)C	REAL300020254023	1	53	-1.0	-44.29	411.02	8.99	-35.30
CC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C2CC2)C=C1C	REAL300020254024	0	49	-1.0	-40.26	402.15	9.45	-30.81
CC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C2CC2)C=C1C	REAL300020254024	1	49	-1.0	-40.21	402.20	9.47	-30.74
CC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C2CC2)C=C1C	REAL300020254025	0	46	-1.0	-43.75	370.90	8.95	-34.80
CC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C2CC2)C=C1C	REAL300020254025	1	46	-1.0	-43.75	370.84	8.92	-34.83
CC1CC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254026	0	43	-1.0	-43.25	341.29	7.82	-35.43
CC1CC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254026	1	43	-1.0	-43.30	341.31	7.82	-35.48
CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC(OCC)C1(C)C	REAL300020254027	0	55	-1.0	-41.23	424.11	7.31	-33.92
CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC(OCC)C1(C)C	REAL300020254027	1	55	-1.0	-41.23	424.16	7.33	-33.90
CCCN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC(OCC)C1(C)C	REAL300020254028	0	52	-1.0	-44.00	395.47	6.08	-37.92
CCCN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC(OCC)C1(C)C	REAL300020254028	1	52	-1.0	-44.02	395.53	6.10	-37.92
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020254029	0	43	-1.0	-40.88	351.46	8.46	-32.42
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020254029	1	43	-1.0	-40.90	351.52	8.48	-32.42
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020254030	0	40	-1.0	-44.12	333.01	7.93	-36.19
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020254030	1	40	-1.0	-44.08	332.95	7.90	-36.18
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020254031	0	47	-1.0	-42.67	388.79	10.58	-32.09
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020254031	1	47	-1.0	-42.62	388.82	10.57	-32.05
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)S1	REAL300020254032	0	47	-1.0	-40.35	396.10	6.06	-34.29
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)S1	REAL300020254032	1	47	-1.0	-40.32	396.16	6.07	-34.25
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)S1	REAL300020254033	0	44	-1.0	-42.71	373.54	5.24	-37.47
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)S1	REAL300020254033	1	44	-1.0	-42.73	373.60	5.27	-37.46
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1C	REAL300020254034	0	49	-1.0	-41.04	372.66	8.00	-33.04
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1C	REAL300020254034	1	49	-1.0	-41.06	372.72	8.01	-33.05
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)=C1C	REAL300020254035	0	46	-1.0	-44.83	363.59	9.03	-35.80
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)=C1C	REAL300020254035	1	46	-1.0	-44.83	363.53	9.00	-35.83
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C(C)CN1C(=O)OC(C)(C)C	REAL300020254036	0	56	-1.0	-42.68	427.79	6.58	-36.10
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C(C)CN1C(=O)OC(C)(C)C	REAL300020254036	1	56	-1.0	-42.68	427.85	6.59	-36.09
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C(C)CN1C(=O)OC(C)(C)C	REAL300020254037	0	53	-1.0	-45.73	411.82	5.74	-39.99
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)CN1C(=O)OC(C)(C)C	REAL300020254037	1	53	-1.0	-45.74	411.88	5.76	-39.98
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020254038	0	52	-1.0	-43.31	395.07	4.86	-38.45
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020254038	1	53	0.0	-71.55	399.18	6.86	-64.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020254038	1	52	-1.0	-43.34	395.13	4.88	-38.46
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020254039	0	49	-1.0	-43.57	377.33	3.82	-39.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020254039	1	50	0.0	-63.51	373.79	6.15	-57.36
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020254039	1	49	-1.0	-43.59	377.39	3.84	-39.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020254040	0	50	-1.0	-43.15	391.36	6.34	-36.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020254040	1	50	-1.0	-43.14	391.41	6.36	-36.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020254041	0	47	-1.0	-44.54	369.86	5.55	-38.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020254041	1	47	-1.0	-44.59	369.92	5.57	-39.02
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020254042	0	37	-1.0	-40.65	318.17	6.39	-34.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020254042	1	37	-1.0	-40.66	318.22	6.40	-34.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020254043	0	34	-1.0	-42.99	296.67	5.60	-37.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020254043	1	34	-1.0	-42.97	296.72	5.63	-37.34
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020254044	0	41	-1.0	-43.52	349.28	8.48	-35.04
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020254044	1	41	-1.0	-43.46	349.32	8.45	-35.01
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254045	0	40	-1.0	-44.62	318.67	2.49	-42.13
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254045	1	40	-1.0	-44.63	318.72	2.50	-42.13
CC1CN(C)C(=O)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254046	0	44	-1.0	-46.36	360.02	4.92	-41.44
CC1CN(C)C(=O)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254046	1	44	-1.0	-46.35	360.05	4.91	-41.44
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254047	0	49	-1.0	-42.00	398.87	5.89	-36.11
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254047	1	49	-1.0	-41.99	398.92	5.91	-36.08
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254048	0	46	-1.0	-44.42	379.95	5.06	-39.36
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254048	1	46	-1.0	-44.42	380.01	5.09	-39.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(O)C(F)(F)F)CC1	REAL300020254049	0	46	-1.0	-42.33	362.98	4.49	-37.84
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(O)C(F)(F)F)CC1	REAL300020254049	1	46	-1.0	-42.35	363.04	4.51	-37.84
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(O)C(F)(F)F)CC1	REAL300020254050	0	43	-1.0	-42.83	348.06	3.64	-39.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(O)C(F)(F)F)CC1	REAL300020254050	1	43	-1.0	-42.82	348.12	3.67	-39.15
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254051	0	53	0.0	-69.21	388.32	5.76	-63.45
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254051	1	53	0.0	-69.48	390.55	6.54	-62.94
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254051	1	53	0.0	-69.21	388.38	5.78	-63.43
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254051	1	53	0.0	-69.50	390.61	6.56	-62.94
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254052	0	50	0.0	-67.54	366.78	4.96	-62.58
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254052	1	50	0.0	-65.80	368.01	5.73	-60.07
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254052	1	50	0.0	-67.56	366.84	4.98	-62.58
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254052	1	50	0.0	-65.82	368.06	5.75	-60.07
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020254053	0	44	-1.0	-41.53	353.70	8.79	-32.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020254053	1	44	-1.0	-41.59	353.76	8.81	-32.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020254054	0	41	-1.0	-44.58	332.25	8.03	-36.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020254054	1	41	-1.0	-44.57	332.19	8.01	-36.56
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020254055	0	48	-1.0	-43.76	384.86	10.88	-32.88
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020254055	1	48	-1.0	-43.74	384.64	10.87	-32.87
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020254056	0	43	-1.0	-40.60	337.75	7.66	-32.94
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020254056	1	43	-1.0	-40.59	337.80	7.67	-32.92
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020254057	0	47	-1.0	-42.78	369.85	9.79	-32.99
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020254057	1	47	-1.0	-42.84	369.64	9.77	-33.07
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020254058	0	43	-1.0	-42.63	370.04	8.13	-34.50
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020254058	1	43	-1.0	-42.65	370.10	8.15	-34.50
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020254059	0	40	-1.0	-46.47	349.60	7.37	-39.10
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020254059	1	40	-1.0	-46.49	349.66	7.40	-39.09
CCOC1=CC=C(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020254060	0	51	-1.0	-43.02	405.57	8.75	-34.27
CCOC1=CC=C(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020254060	1	51	-1.0	-42.99	405.63	8.77	-34.22
CCOC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020254061	0	48	-1.0	-44.54	391.06	8.50	-36.04
CCOC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020254061	1	48	-1.0	-44.59	391.11	8.53	-36.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020254062	0	52	-1.0	-40.26	408.54	9.73	-30.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020254062	1	52	-1.0	-40.27	408.60	9.75	-30.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020254063	0	49	-1.0	-42.02	387.04	8.95	-33.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020254063	1	49	-1.0	-42.01	387.10	8.97	-33.04
COC1=CC(N2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=CC(OC)=C1	REAL300020254064	0	53	-1.0	-47.26	414.89	5.10	-42.16
COC1=CC(N2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=CC(OC)=C1	REAL300020254064	1	53	-1.0	-47.27	414.95	5.12	-42.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C2=CC=CC=C2)C1	REAL300020254065	0	46	-1.0	-46.04	376.43	8.66	-37.38
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C2=CC=CC=C2)C1	REAL300020254065	1	46	-1.0	-46.04	376.48	8.68	-37.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C2=CC=CC=C2)C1	REAL300020254066	0	43	-1.0	-47.02	354.93	7.88	-39.14
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C2=CC=CC=C2)C1	REAL300020254066	1	43	-1.0	-47.03	354.99	7.90	-39.13
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020254067	0	37	-1.0	-41.56	328.46	7.10	-34.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020254067	1	37	-1.0	-41.52	328.52	7.11	-34.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020254068	0	34	-1.0	-43.88	306.97	6.31	-37.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020254068	1	34	-1.0	-43.89	307.02	6.34	-37.55
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020254069	0	37	-1.0	-40.84	328.53	7.15	-33.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020254069	1	37	-1.0	-40.83	328.59	7.16	-33.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020254070	0	34	-1.0	-43.51	311.38	6.50	-37.01
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020254070	1	34	-1.0	-43.47	311.44	6.53	-36.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020254071	0	46	-1.0	-40.95	383.73	9.87	-31.08
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020254071	1	46	-1.0	-40.97	383.79	9.88	-31.09
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020254072	0	43	-1.0	-43.26	360.54	8.65	-34.61
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020254072	1	43	-1.0	-43.28	360.60	8.68	-34.60
COC1=CC=C(CN(CC2CC2)C2=NN=C(CCC3=N[N-]N=N3)N2C)C(OC)=C1	REAL300020254073	0	54	-1.0	-42.61	428.35	8.17	-34.44
COC1=CC=C(CN(CC2CC2)C2=NN=C(CCC3=NN=N[N-]3)N2C)C(OC)=C1	REAL300020254073	1	54	-1.0	-42.60	428.40	8.18	-34.42
COC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=N[N-]N=N3)N2C)C(OC)=C1	REAL300020254074	0	51	-1.0	-45.92	419.95	6.83	-39.09
COC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=NN=N[N-]3)N2C)C(OC)=C1	REAL300020254074	1	51	-1.0	-45.92	420.01	6.86	-39.06
CCCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254075	0	45	-1.0	-42.34	372.21	7.61	-34.73
CCCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254075	1	45	-1.0	-42.32	372.27	7.63	-34.69
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254076	0	42	-1.0	-44.91	351.66	6.86	-38.05
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254076	1	42	-1.0	-44.85	351.72	6.89	-37.96
CCCN(CCC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254077	0	49	-1.0	-44.39	406.52	10.72	-33.67
CCCN(CCC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254077	1	49	-1.0	-44.32	406.53	10.71	-33.61
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254078	0	44	-1.0	-43.28	360.91	6.76	-36.52
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254078	1	44	-1.0	-43.28	360.95	6.75	-36.53
CCCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254079	0	51	-1.0	-40.84	383.01	7.45	-33.39
CCCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254079	1	51	-1.0	-40.84	383.07	7.47	-33.37
CCCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254080	0	48	-1.0	-42.50	362.82	6.72	-35.78
CCCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254080	1	48	-1.0	-42.47	362.87	6.74	-35.73
CCCC1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254081	0	55	-1.0	-43.11	411.12	10.12	-32.99
CCCC1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254081	1	55	-1.0	-43.07	411.21	10.11	-32.96
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254082	0	48	-1.0	-43.53	373.77	9.51	-34.02
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254082	1	48	-1.0	-43.50	373.81	9.51	-33.99
CN1C=C(CN(CC2=CC=C(Cl)C=C2)C2=NN=C(CC3=NN=N[N-]3)N2C)C=N1	REAL300020254083	0	46	-1.0	-44.00	401.28	8.40	-35.60
CN1C=C(CN(CC2=CC=C(Cl)C=C2)C2=NN=C(CC3=N[N-]N=N3)N2C)C=N1	REAL300020254083	1	46	-1.0	-43.97	401.22	8.38	-35.59
CC(C)CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254084	0	48	-1.0	-41.08	369.46	7.17	-33.91
CC(C)CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254084	1	48	-1.0	-41.12	369.52	7.18	-33.94
CC(C)CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254085	0	45	-1.0	-43.80	348.03	6.36	-37.44
CC(C)CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254085	1	45	-1.0	-43.79	348.09	6.39	-37.40
CC(C)CCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254086	0	52	-1.0	-42.92	401.06	9.12	-33.80
CC(C)CCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254086	1	52	-1.0	-42.86	401.10	9.10	-33.76
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=C(Br)S1	REAL300020254087	0	37	-1.0	-40.94	351.01	3.14	-37.80
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=C(Br)S1	REAL300020254087	1	37	-1.0	-40.98	351.07	3.17	-37.81
CCC(CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1C)C1=CC=CC=C1	REAL300020254088	0	51	-1.0	-41.70	402.32	9.75	-31.95
CCC(CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1C)C1=CC=CC=C1	REAL300020254088	1	51	-1.0	-41.69	402.38	9.76	-31.93
CCC(CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1C)C1=CC=CC=C1	REAL300020254089	0	48	-1.0	-47.65	377.72	9.19	-38.46
CCC(CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1C)C1=CC=CC=C1	REAL300020254089	1	48	-1.0	-47.69	377.77	9.22	-38.47
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCCC2=C1C=NN2C	REAL300020254090	0	46	-1.0	-48.64	366.15	5.39	-43.25
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCCC2=C1C=NN2C	REAL300020254090	1	46	-1.0	-48.62	366.21	5.40	-43.22
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCCC2=C1C=NN2C	REAL300020254091	0	43	-1.0	-56.93	343.70	4.56	-52.37
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCCC2=C1C=NN2C	REAL300020254091	1	43	-1.0	-56.94	343.63	4.52	-52.42
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCCC2=C1C=NN2C	REAL300020254092	0	50	-1.0	-45.94	392.27	8.44	-37.50
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCCC2=C1C=NN2C	REAL300020254092	1	50	-1.0	-45.84	392.31	8.43	-37.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(N2C=NC=N2)C=C1)C1CC1	REAL300020254093	0	49	-1.0	-45.07	408.64	10.08	-34.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(N2C=NC=N2)C=C1)C1CC1	REAL300020254093	1	49	-1.0	-45.06	408.58	10.06	-35.00
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(N2C=NC=N2)C=C1)C1CC1	REAL300020254094	0	46	-1.0	-48.27	395.59	10.00	-38.27
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(N2C=NC=N2)C=C1)C1CC1	REAL300020254094	1	46	-1.0	-48.24	395.54	9.98	-38.26
COC1=CC=C(CN(CC2CCC2)C2=NN=C(CC3=N[N-]N=N3)N2C)C(OC)=C1	REAL300020254095	0	54	-1.0	-46.80	413.58	6.84	-39.96
COC1=CC=C(CN(CC2CCC2)C2=NN=C(CC3=NN=N[N-]3)N2C)C(OC)=C1	REAL300020254095	1	54	-1.0	-46.75	413.63	6.88	-39.87
CCN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254096	0	42	-1.0	-43.77	370.62	9.15	-34.62
CCN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254096	1	42	-1.0	-43.81	370.67	9.17	-34.64
CCN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254097	0	39	-1.0	-47.49	350.06	8.40	-39.09
CCN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254097	1	39	-1.0	-47.48	350.11	8.42	-39.06
COC1=CC=C(N2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020254098	0	52	-1.0	-43.36	400.11	7.00	-36.36
COC1=CC=C(N2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020254098	1	52	-1.0	-43.43	400.16	7.01	-36.42
COC1=CC=C(N2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020254099	0	49	-1.0	-45.52	382.71	6.02	-39.50
COC1=CC=C(N2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020254099	1	49	-1.0	-45.53	382.77	6.04	-39.49
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020254100	0	48	-1.0	-42.08	370.58	7.71	-34.37
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020254100	1	48	-1.0	-42.10	370.64	7.72	-34.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020254101	0	45	-1.0	-44.78	352.35	6.74	-38.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020254101	1	45	-1.0	-44.80	352.41	6.77	-38.03
COCCNC(=O)C1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254102	0	53	-1.0	-46.27	422.73	3.65	-42.62
COCCNC(=O)C1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254102	1	53	-1.0	-46.25	422.79	3.67	-42.58
COCCNC(=O)C1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254103	0	50	-1.0	-50.22	400.65	2.89	-47.33
COCCNC(=O)C1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254103	1	50	-1.0	-50.21	400.71	2.92	-47.29
CCCCNC(=O)C1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254104	0	55	-1.0	-46.01	432.13	6.11	-39.90
CCCCNC(=O)C1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254104	1	55	-1.0	-46.01	432.18	6.12	-39.89
CCCCNC(=O)C1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254105	0	52	-1.0	-50.46	410.05	5.34	-45.12
CCCCNC(=O)C1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254105	1	52	-1.0	-50.48	410.11	5.37	-45.11
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1O	REAL300020254106	0	44	-1.0	-44.29	362.32	4.27	-40.02
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1O	REAL300020254106	1	44	-1.0	-44.30	362.38	4.28	-40.02
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1O	REAL300020254107	0	41	-1.0	-48.07	341.81	3.54	-44.53
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1O	REAL300020254107	1	41	-1.0	-48.09	341.75	3.52	-44.57
COC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1O	REAL300020254108	0	48	-1.0	-46.94	394.16	6.39	-40.55
COC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1O	REAL300020254108	1	48	-1.0	-46.90	394.19	6.38	-40.52
CCN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254109	0	43	-1.0	-43.26	335.87	4.30	-38.96
CCN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254109	1	43	-1.0	-43.29	335.93	4.31	-38.98
CCN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254110	0	47	-1.0	-45.68	367.73	6.31	-39.37
CCN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254110	1	47	-1.0	-45.63	367.77	6.30	-39.33
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020254111	0	41	-1.0	-44.28	320.20	6.68	-37.60
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020254111	1	41	-1.0	-44.29	320.26	6.67	-37.62
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC2=CC=CC=C2C1	REAL300020254112	0	43	-1.0	-43.48	346.24	8.31	-35.17
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC2=CC=CC=C2C1	REAL300020254112	1	43	-1.0	-43.49	346.30	8.32	-35.17
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC2=CC=CC=C2C1	REAL300020254113	0	40	-1.0	-47.18	324.76	7.55	-39.63
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC2=CC=CC=C2C1	REAL300020254113	1	40	-1.0	-47.14	324.70	7.52	-39.62
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CC2=CC=CC=C2C1	REAL300020254114	0	47	-1.0	-45.56	376.96	10.40	-35.16
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CC2=CC=CC=C2C1	REAL300020254114	1	47	-1.0	-45.47	377.00	10.41	-35.06
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254115	0	43	-1.0	-44.98	360.39	7.72	-37.26
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254115	1	43	-1.0	-44.97	360.45	7.73	-37.24
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254116	0	40	-1.0	-49.08	341.25	6.96	-42.12
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254116	1	40	-1.0	-49.03	341.20	6.94	-42.09
C=CCN(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254117	0	47	-1.0	-47.19	389.94	9.84	-37.35
C=CCN(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254117	1	47	-1.0	-47.20	389.97	9.83	-37.37
CCCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254118	0	51	-1.0	-40.65	386.45	8.40	-32.25
CCCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254118	1	51	-1.0	-40.65	386.51	8.41	-32.24
CCCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254119	0	48	-1.0	-44.25	364.06	7.55	-36.70
CCCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254119	1	48	-1.0	-44.22	364.12	7.57	-36.65
CCCN(CC1CCCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254120	0	55	-1.0	-43.01	420.90	11.14	-31.87
CCCN(CC1CCCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254120	1	55	-1.0	-43.03	420.94	11.13	-31.90
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020254121	0	50	-1.0	-43.57	396.77	8.38	-35.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020254121	1	50	-1.0	-43.58	396.82	8.40	-35.18
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020254122	0	47	-1.0	-45.59	375.32	7.61	-37.98
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020254122	1	47	-1.0	-45.59	375.27	7.59	-38.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020254123	0	47	-1.0	-43.27	387.25	5.94	-37.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020254123	1	47	-1.0	-43.24	387.31	5.95	-37.29
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020254124	0	44	-1.0	-47.10	359.87	4.86	-42.24
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020254124	1	44	-1.0	-47.07	359.92	4.88	-42.19
CC(C)N(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254125	0	47	-1.0	-44.64	377.85	8.74	-35.90
CC(C)N(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254125	1	47	-1.0	-44.64	377.91	8.76	-35.88
CC(C)N(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254126	0	44	-1.0	-43.31	360.11	8.06	-35.25
CC(C)N(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254126	1	44	-1.0	-43.30	360.17	8.09	-35.21
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCCO)CC1=CC=C(Cl)C(Cl)=C1	REAL300020254127	0	43	-1.0	-44.11	383.30	4.18	-39.93
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCCO)CC1=CC=C(Cl)C(Cl)=C1	REAL300020254127	1	43	-1.0	-44.13	383.35	4.19	-39.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020254128	0	46	-1.0	-41.23	364.64	8.47	-32.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020254128	1	46	-1.0	-41.20	364.70	8.49	-32.71
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020254129	0	43	-1.0	-43.00	350.31	7.98	-35.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020254129	1	43	-1.0	-43.02	350.37	8.00	-35.02
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254130	0	42	-1.0	-43.43	342.06	4.72	-38.71
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254130	1	42	-1.0	-43.40	342.00	4.71	-38.69
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254131	0	39	-1.0	-45.87	329.79	4.23	-41.64
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254131	1	39	-1.0	-45.86	329.73	4.21	-41.65
CCN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254132	0	46	-1.0	-45.36	383.48	6.80	-38.56
CCN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254132	1	46	-1.0	-45.40	383.44	6.81	-38.59
CC[NH+]1CCN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)CC1	REAL300020254133	0	54	0.0	-64.33	406.20	5.84	-58.49
CC[NH+]1CCN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)CC1	REAL300020254133	1	54	0.0	-64.37	406.26	5.85	-58.52
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)CC1	REAL300020254134	0	51	0.0	-62.90	384.70	5.04	-57.86
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)CC1	REAL300020254134	1	51	0.0	-62.93	384.76	5.07	-57.86
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020254135	0	41	-1.0	-43.41	340.32	8.58	-34.83
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020254135	1	41	-1.0	-43.37	340.36	8.57	-34.80
COCCN(CC1=CC=C(F)C=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254136	0	46	-1.0	-40.12	392.86	7.75	-32.37
COCCN(CC1=CC=C(F)C=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254136	1	46	-1.0	-40.10	392.91	7.76	-32.34
COCCN(CC1=CC=C(F)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254137	0	43	-1.0	-43.83	372.30	6.99	-36.84
COCCN(CC1=CC=C(F)C=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254137	1	43	-1.0	-43.87	372.36	7.01	-36.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020254138	0	40	-1.0	-39.48	339.33	7.05	-32.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020254138	1	40	-1.0	-39.47	339.39	7.07	-32.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020254139	0	37	-1.0	-42.15	310.34	6.75	-35.40
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020254139	1	37	-1.0	-42.11	310.29	6.72	-35.39
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020254140	0	44	-1.0	-42.33	366.13	9.41	-32.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020254140	1	44	-1.0	-42.32	366.17	9.40	-32.92
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020254141	0	40	-1.0	-43.15	336.12	6.80	-36.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020254141	1	40	-1.0	-43.14	336.17	6.81	-36.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020254142	0	37	-1.0	-44.58	316.72	6.21	-38.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020254142	1	37	-1.0	-44.56	316.67	6.18	-38.38
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020254143	0	44	-1.0	-43.88	371.39	10.18	-33.70
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020254143	1	44	-1.0	-43.84	371.19	10.15	-33.69
COCCN(CCCOC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254144	0	50	-1.0	-45.89	408.20	5.79	-40.10
COCCN(CCCOC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254144	1	50	-1.0	-45.91	408.25	5.81	-40.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC[N@H+](CC1=CC=CC=C1)C2	REAL300020254145	0	56	0.0	-60.12	420.97	10.12	-50.00
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC[N@@H+](CC1=CC=CC=C1)C2	REAL300020254145	1	56	0.0	-61.32	421.06	10.21	-51.11
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC[N@H+](CC1=CC=CC=C1)C2	REAL300020254145	1	56	0.0	-60.16	421.03	10.15	-50.01
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC[N@@H+](CC1=CC=CC=C1)C2	REAL300020254145	1	56	0.0	-61.34	421.12	10.24	-51.10
COCCN(CCOC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254146	0	50	-1.0	-41.44	400.62	7.78	-33.66
COCCN(CCOC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254146	1	50	-1.0	-41.48	400.68	7.80	-33.68
COCCN(CCOC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254147	0	47	-1.0	-47.09	386.79	5.09	-42.00
COCCN(CCOC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254147	1	47	-1.0	-47.09	386.85	5.11	-41.98
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC2CCCC2)CC1	REAL300020254148	0	56	-1.0	-47.26	422.31	8.90	-38.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC2CCCC2)CC1	REAL300020254148	1	56	-1.0	-47.28	422.37	8.91	-38.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC2CCCC2)CC1	REAL300020254149	0	53	-1.0	-46.02	406.56	8.01	-38.01
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC2CCCC2)CC1	REAL300020254149	1	53	-1.0	-46.04	406.62	8.03	-38.01
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254150	0	43	-1.0	-45.66	352.36	5.08	-40.58
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254150	1	43	-1.0	-45.66	352.42	5.10	-40.56
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254151	0	40	-1.0	-45.45	330.22	4.22	-41.23
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254151	1	40	-1.0	-45.48	330.17	4.20	-41.28
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254152	0	47	-1.0	-45.37	384.93	6.81	-38.56
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254152	1	47	-1.0	-45.36	384.98	6.80	-38.56
CCCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254153	0	49	-1.0	-39.69	381.35	6.64	-33.05
CCCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254153	1	49	-1.0	-39.69	381.41	6.65	-33.04
CCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254154	0	46	-1.0	-41.75	360.71	5.87	-35.88
CCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254154	1	46	-1.0	-41.80	360.77	5.90	-35.90
CCCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254155	0	53	-1.0	-43.56	406.28	9.18	-34.38
CCCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254155	1	53	-1.0	-43.62	406.32	9.17	-34.45
CC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020254156	0	58	0.0	-65.01	422.17	9.65	-55.36
CC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020254156	1	58	0.0	-64.79	428.46	9.97	-54.82
CC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020254156	1	58	0.0	-65.05	422.23	9.66	-55.39
CC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020254156	1	58	0.0	-64.79	428.52	9.98	-54.81
CC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020254157	0	55	0.0	-62.49	399.60	8.83	-53.66
CC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020254157	1	55	0.0	-65.10	410.95	8.34	-56.76
CC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020254157	1	55	0.0	-62.46	399.66	8.86	-53.60
CC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020254157	1	55	0.0	-65.12	411.00	8.37	-56.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020254158	0	43	-1.0	-43.17	368.27	2.18	-40.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020254158	1	43	-1.0	-43.13	368.33	2.20	-40.93
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020254159	0	40	-1.0	-49.00	340.92	0.39	-48.61
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020254159	1	40	-1.0	-49.01	340.98	0.42	-48.59
CCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254160	0	45	-1.0	-42.05	352.60	4.77	-37.28
CCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254160	1	45	-1.0	-42.03	352.66	4.78	-37.25
CCCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254161	0	49	-1.0	-43.75	384.96	6.82	-36.93
CCCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254161	1	49	-1.0	-43.78	385.00	6.81	-36.97
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020254162	0	50	-1.0	-46.61	396.00	8.16	-38.45
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020254162	1	50	-1.0	-46.63	396.06	8.17	-38.46
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020254163	0	47	-1.0	-45.99	380.21	7.25	-38.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020254163	1	47	-1.0	-46.00	380.27	7.27	-38.73
CC1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254164	0	52	0.0	-73.25	398.71	8.19	-65.06
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254164	1	52	0.0	-71.38	398.79	8.76	-62.62
CC1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254164	1	51	-1.0	-42.24	391.13	5.49	-36.75
CC1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254164	1	51	-1.0	-42.27	391.19	5.51	-36.76
CC1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254165	0	49	0.0	-69.86	378.38	8.76	-61.10
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254165	1	49	0.0	-67.59	377.30	8.71	-58.88
CC1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254165	1	48	-1.0	-43.59	380.02	5.04	-38.55
CC1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254165	1	48	-1.0	-43.62	380.07	5.06	-38.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020254166	0	42	-1.0	-44.74	354.21	8.30	-36.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020254166	1	42	-1.0	-44.75	354.26	8.32	-36.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020254167	0	39	-1.0	-46.26	332.76	7.54	-38.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020254167	1	39	-1.0	-46.26	332.71	7.52	-38.74
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254168	0	40	-1.0	-45.22	319.51	4.11	-41.11
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254168	1	40	-1.0	-45.25	319.57	4.13	-41.12
CC1C(=O)N(C)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254169	0	44	-1.0	-45.89	360.11	5.45	-40.44
CC1C(=O)N(C)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254169	1	44	-1.0	-45.86	360.19	5.44	-40.42
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCOCC1	REAL300020254170	0	53	-1.0	-41.83	416.00	7.45	-34.38
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCOCC1	REAL300020254170	1	53	-1.0	-41.84	416.06	7.46	-34.38
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCOCC1	REAL300020254171	0	50	-1.0	-42.39	396.72	7.93	-34.46
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCOCC1	REAL300020254171	1	50	-1.0	-42.38	396.78	7.96	-34.42
COCCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254172	0	49	-1.0	-42.66	408.07	4.92	-37.74
COCCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254172	1	49	-1.0	-42.70	408.13	4.94	-37.76
COCCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254173	0	46	-1.0	-43.12	386.61	4.15	-38.97
COCCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254173	1	46	-1.0	-43.17	386.66	4.18	-38.99
CCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254174	0	43	-1.0	-43.65	335.98	7.45	-36.20
CCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254174	1	43	-1.0	-43.66	336.02	7.44	-36.22
COC1=CC=C(OC)C(CN(CCO)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020254175	0	51	-1.0	-47.11	409.82	3.42	-43.69
COC1=CC=C(OC)C(CN(CCO)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020254175	1	51	-1.0	-47.12	409.88	3.43	-43.69
COC1=CC=C(OC)C(CN(CCO)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020254176	0	48	-1.0	-51.29	389.26	2.66	-48.63
COC1=CC=C(OC)C(CN(CCO)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020254176	1	48	-1.0	-51.29	389.31	2.68	-48.61
CCSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254177	0	46	-1.0	-41.87	361.06	7.99	-33.88
CCSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254177	1	46	-1.0	-41.89	361.12	8.01	-33.88
CCSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254178	0	43	-1.0	-43.72	339.56	7.21	-36.51
CCSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254178	1	43	-1.0	-43.72	339.62	7.23	-36.49
CCSC1CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254179	0	50	-1.0	-43.54	399.77	10.24	-33.30
CCSC1CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254179	1	50	-1.0	-43.54	399.56	10.23	-33.31
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254180	0	52	0.0	-70.15	398.78	9.49	-60.66
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254180	1	52	0.0	-70.22	393.40	9.41	-60.81
C[C@@H]1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254180	1	51	-1.0	-41.20	401.53	5.83	-35.37
C[C@@H]1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254180	1	51	-1.0	-41.18	401.59	5.85	-35.33
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254181	0	49	0.0	-69.84	378.37	8.76	-61.08
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254181	1	49	0.0	-69.43	379.15	8.29	-61.14
C[C@@H]1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254181	1	48	-1.0	-43.85	381.12	5.06	-38.79
C[C@@H]1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254181	1	48	-1.0	-43.85	381.17	5.08	-38.77
COC1=CC=C(CN(CCO)C2=NN=C(CCC3=N[N-]N=N3)N2C)C(OC)=C1	REAL300020254182	0	51	-1.0	-44.66	409.82	3.43	-41.23
COC1=CC=C(CN(CCO)C2=NN=C(CCC3=NN=N[N-]3)N2C)C(OC)=C1	REAL300020254182	1	51	-1.0	-44.68	409.87	3.44	-41.24
COC1=CC=C(CN(CCO)C2=NN=C(CC3=N[N-]N=N3)N2C)C(OC)=C1	REAL300020254183	0	48	-1.0	-48.97	389.28	2.67	-46.30
COC1=CC=C(CN(CCO)C2=NN=C(CC3=NN=N[N-]3)N2C)C(OC)=C1	REAL300020254183	1	48	-1.0	-48.96	389.33	2.70	-46.26
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254184	0	49	-1.0	-41.74	376.95	8.37	-33.37
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254184	1	49	-1.0	-41.78	377.01	8.38	-33.40
C=CCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254185	0	46	-1.0	-44.83	356.39	7.62	-37.21
C=CCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254185	1	46	-1.0	-44.87	356.45	7.64	-37.23
C=CCN(CC1CCCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254186	0	53	-1.0	-42.84	413.08	10.93	-31.91
C=CCN(CC1CCCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254186	1	53	-1.0	-42.87	413.12	10.92	-31.95
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254187	0	43	-1.0	-42.90	345.16	7.64	-35.26
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254187	1	43	-1.0	-42.90	345.20	7.63	-35.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020254188	0	43	-1.0	-43.44	350.37	3.87	-39.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020254188	1	43	-1.0	-43.42	350.43	3.88	-39.54
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020254189	0	47	-1.0	-45.19	381.02	6.06	-39.13
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020254189	1	47	-1.0	-45.18	381.07	6.04	-39.14
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020254190	0	40	-1.0	-43.35	331.66	6.51	-36.84
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020254190	1	40	-1.0	-43.38	331.72	6.52	-36.86
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020254191	0	37	-1.0	-45.78	310.21	5.75	-40.03
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020254191	1	37	-1.0	-45.73	310.16	5.73	-40.00
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020254192	0	44	-1.0	-44.01	363.52	9.82	-34.19
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020254192	1	44	-1.0	-44.00	363.32	9.79	-34.21
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020254193	0	46	-1.0	-43.10	382.53	9.53	-33.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020254193	1	46	-1.0	-43.12	382.59	9.54	-33.58
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020254194	0	43	-1.0	-45.30	361.08	8.74	-36.56
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020254194	1	43	-1.0	-45.34	361.14	8.77	-36.57
CC(CS(C)(=O)=O)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254195	0	41	-1.0	-54.96	339.14	2.77	-52.19
CC(CS(C)(=O)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254195	1	41	-1.0	-54.94	339.19	2.78	-52.16
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254196	0	38	-1.0	-52.87	323.16	1.98	-50.89
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254196	1	38	-1.0	-52.89	323.22	2.00	-50.89
CC(CS(C)(=O)=O)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254197	0	45	-1.0	-51.92	375.64	4.83	-47.09
CC(CS(C)(=O)=O)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254197	1	45	-1.0	-51.89	375.69	4.82	-47.07
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020254198	0	43	-1.0	-41.48	337.83	8.47	-33.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020254198	1	43	-1.0	-41.48	337.89	8.48	-33.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020254199	0	40	-1.0	-43.54	312.73	6.93	-36.61
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020254199	1	40	-1.0	-43.55	312.67	6.91	-36.64
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020254200	0	47	-1.0	-43.60	365.01	9.76	-33.84
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020254200	1	47	-1.0	-43.59	365.04	9.75	-33.84
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020254201	0	46	-1.0	-44.20	375.17	5.52	-38.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020254201	1	46	-1.0	-44.16	375.22	5.54	-38.62
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020254202	0	43	-1.0	-45.72	349.58	3.74	-41.98
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020254202	1	43	-1.0	-45.76	349.64	3.77	-41.99
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020254203	0	50	-1.0	-46.78	411.73	6.76	-40.02
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020254203	1	50	-1.0	-46.78	411.78	6.75	-40.03
CC1CSCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254204	0	41	-1.0	-42.28	343.14	6.59	-35.69
CC1CSCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254204	1	41	-1.0	-42.20	343.14	6.57	-35.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020254205	0	44	-1.0	-44.69	350.99	4.00	-40.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020254205	1	44	-1.0	-44.69	351.05	4.01	-40.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020254206	0	41	-1.0	-46.26	329.57	3.24	-43.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020254206	1	41	-1.0	-46.26	329.51	3.21	-43.05
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020254207	0	48	-1.0	-45.69	391.12	7.94	-37.75
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020254207	1	48	-1.0	-45.77	391.17	7.94	-37.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020254208	0	44	-1.0	-42.08	364.01	5.44	-36.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020254208	1	44	-1.0	-42.05	363.95	5.42	-36.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020254209	0	41	-1.0	-44.33	338.63	4.31	-40.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020254209	1	41	-1.0	-44.33	338.57	4.29	-40.04
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020254210	0	43	-1.0	-40.72	333.56	6.63	-34.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020254210	1	43	-1.0	-40.69	333.62	6.64	-34.05
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020254211	0	47	-1.0	-43.57	360.47	9.18	-34.39
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020254211	1	47	-1.0	-43.62	360.48	9.17	-34.45
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254212	0	44	-1.0	-41.23	373.10	9.12	-32.11
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254212	1	44	-1.0	-41.26	373.16	9.13	-32.13
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254213	0	41	-1.0	-43.51	352.61	8.38	-35.13
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254213	1	41	-1.0	-43.51	352.55	8.36	-35.15
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254214	0	48	-1.0	-46.04	414.31	10.13	-35.91
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254214	1	48	-1.0	-45.99	414.34	10.13	-35.86
C#CCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254215	0	38	-1.0	-42.58	325.17	7.41	-35.17
C#CCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254215	1	38	-1.0	-42.53	325.19	7.40	-35.13
COC1=CC2=C(C=C1OC)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020254216	0	51	-1.0	-45.01	396.73	7.61	-37.40
COC1=CC2=C(C=C1OC)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020254216	1	51	-1.0	-44.99	396.79	7.62	-37.37
COC1=CC2=C(C=C1OC)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020254217	0	48	-1.0	-46.20	375.24	6.81	-39.39
COC1=CC2=C(C=C1OC)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020254217	1	48	-1.0	-46.18	375.30	6.84	-39.34
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254218	0	46	-1.0	-41.14	385.33	8.92	-32.22
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254218	1	46	-1.0	-41.16	385.39	8.93	-32.23
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254219	0	43	-1.0	-43.31	360.34	8.44	-34.87
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254219	1	43	-1.0	-43.31	360.29	8.41	-34.90
C=CCN(CCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254220	0	50	-1.0	-45.23	409.16	10.57	-34.66
C=CCN(CCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254220	1	50	-1.0	-45.18	409.18	10.56	-34.62
COCCCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254221	0	52	-1.0	-43.26	427.11	8.16	-35.10
COCCCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254221	1	52	-1.0	-43.25	427.17	8.17	-35.08
COCCCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254222	0	49	-1.0	-48.27	405.87	7.36	-40.91
COCCCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254222	1	49	-1.0	-48.30	405.93	7.38	-40.92
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020254223	0	49	-1.0	-43.27	383.80	9.10	-34.17
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020254223	1	49	-1.0	-43.24	383.85	9.12	-34.12
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020254224	0	46	-1.0	-42.66	375.27	8.06	-34.60
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020254224	1	46	-1.0	-42.68	375.21	8.04	-34.64
COC1=CC=CC(CN(CC2CCCO2)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020254225	0	54	-1.0	-43.29	434.89	6.68	-36.61
COC1=CC=CC(CN(CC2CCCO2)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020254225	1	54	-1.0	-43.27	434.95	6.70	-36.57
COC1=CC=CC(CN(CC2CCCO2)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020254226	0	51	-1.0	-46.98	413.39	5.89	-41.09
COC1=CC=CC(CN(CC2CCCO2)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020254226	1	51	-1.0	-46.96	413.45	5.92	-41.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CCC2=CC=CC=C2)CC1	REAL300020254227	0	53	-1.0	-47.67	417.18	8.95	-38.72
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CCC2=CC=CC=C2)CC1	REAL300020254227	1	53	-1.0	-47.65	417.24	8.98	-38.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300020254228	0	50	-1.0	-47.56	409.78	8.44	-39.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300020254228	1	50	-1.0	-47.56	409.84	8.47	-39.09
CC1=CC=C(CN(CC2=CC=CO2)C2=NN=C(CCC3=N[N-]N=N3)N2C)S1	REAL300020254229	0	46	-1.0	-42.08	402.19	8.52	-33.56
CC1=CC=C(CN(CC2=CC=CO2)C2=NN=C(CCC3=NN=N[N-]3)N2C)S1	REAL300020254229	1	46	-1.0	-42.09	402.24	8.54	-33.55
CC1=CC=C(CN(CC2=CC=CO2)C2=NN=C(CC3=NN=N[N-]3)N2C)S1	REAL300020254230	0	43	-1.0	-45.28	372.41	7.46	-37.82
CC1=CC=C(CN(CC2=CC=CO2)C2=NN=C(CC3=N[N-]N=N3)N2C)S1	REAL300020254230	1	43	-1.0	-45.28	372.35	7.42	-37.86
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254231	0	46	-1.0	-43.46	369.22	7.17	-36.29
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254231	1	46	-1.0	-43.48	369.26	7.16	-36.32
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Br)=C1)C1CC1	REAL300020254232	0	40	-1.0	-41.04	363.52	8.08	-32.96
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Br)=C1)C1CC1	REAL300020254232	1	40	-1.0	-41.04	363.58	8.10	-32.94
COC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020254233	0	44	-1.0	-44.69	354.78	5.74	-38.95
COC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020254233	1	44	-1.0	-44.62	354.84	5.75	-38.87
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020254234	0	41	-1.0	-47.31	333.33	4.99	-42.32
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020254234	1	41	-1.0	-47.30	333.27	4.96	-42.34
COC1=CC=C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2=C1	REAL300020254235	0	48	-1.0	-44.73	386.65	9.05	-35.68
COC1=CC=C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2=C1	REAL300020254235	1	48	-1.0	-44.78	386.43	9.02	-35.76
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254236	0	41	-1.0	-40.94	360.63	7.91	-33.03
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254236	1	41	-1.0	-40.98	360.69	7.93	-33.05
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254237	0	38	-1.0	-42.92	340.48	7.23	-35.69
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254237	1	38	-1.0	-42.89	340.43	7.21	-35.68
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254238	0	45	-1.0	-43.09	393.41	10.01	-33.08
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254238	1	45	-1.0	-43.00	393.45	10.00	-33.00
COCCN(CCCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254239	0	52	-1.0	-41.65	414.12	7.98	-33.67
COCCN(CCCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254239	1	52	-1.0	-41.64	414.18	7.99	-33.65
COCCN(CCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254240	0	49	-1.0	-45.51	393.30	6.91	-38.60
COCCN(CCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254240	1	49	-1.0	-45.54	393.35	6.94	-38.60
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCCC1	REAL300020254241	0	46	-1.0	-43.70	356.88	7.70	-36.00
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCCC1	REAL300020254241	1	46	-1.0	-43.67	356.92	7.69	-35.98
COC(=O)C1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C(C)C2)C=C1	REAL300020254242	0	51	-1.0	-45.59	417.83	5.94	-39.65
COC(=O)C1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C(C)C2)C=C1	REAL300020254242	1	51	-1.0	-45.57	417.89	5.97	-39.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC3=CC=CC=C32)CC1	REAL300020254243	0	50	-1.0	-41.23	410.12	10.91	-30.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC3=CC=CC=C32)CC1	REAL300020254243	1	50	-1.0	-41.18	410.18	10.93	-30.25
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC3=CC=CC=C32)CC1	REAL300020254244	0	47	-1.0	-47.65	377.86	9.39	-38.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC3=CC=CC=C32)CC1	REAL300020254244	1	47	-1.0	-47.63	377.92	9.42	-38.21
CCOC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020254245	0	47	-1.0	-44.55	376.64	6.66	-37.89
CCOC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020254245	1	47	-1.0	-44.51	376.69	6.68	-37.83
CCOC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020254246	0	44	-1.0	-47.30	355.19	5.90	-41.40
CCOC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020254246	1	44	-1.0	-47.26	355.12	5.89	-41.37
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)CC1CCCO1	REAL300020254247	0	50	-1.0	-44.03	404.50	8.33	-35.70
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)CC1CCCO1	REAL300020254247	1	50	-1.0	-44.03	404.56	8.34	-35.69
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)CC1CCCO1	REAL300020254248	0	47	-1.0	-50.16	380.58	6.19	-43.97
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)CC1CCCO1	REAL300020254248	1	47	-1.0	-50.19	380.64	6.21	-43.98
COCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCS(=O)(=O)C1	REAL300020254249	0	49	-1.0	-49.47	400.36	1.68	-47.79
COCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCS(=O)(=O)C1	REAL300020254249	1	49	-1.0	-49.47	400.42	1.69	-47.78
COCCCN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCS(=O)(=O)C1	REAL300020254250	0	46	-1.0	-52.90	371.13	1.66	-51.24
COCCCN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCS(=O)(=O)C1	REAL300020254250	1	46	-1.0	-52.89	371.18	1.69	-51.20
CC(C)NC(=O)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254251	0	42	-1.0	-41.45	349.42	3.41	-38.04
CC(C)NC(=O)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254251	1	42	-1.0	-41.48	349.48	3.42	-38.06
CC(C)NC(=O)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254252	0	46	-1.0	-43.69	381.66	5.49	-38.20
CC(C)NC(=O)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254252	1	46	-1.0	-43.65	381.72	5.49	-38.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)CC1CCCO1	REAL300020254253	0	47	-1.0	-44.36	387.25	6.16	-38.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)CC1CCCO1	REAL300020254253	1	47	-1.0	-44.39	387.30	6.18	-38.21
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)CC1CCCO1	REAL300020254254	0	44	-1.0	-47.43	366.57	5.47	-41.96
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)CC1CCCO1	REAL300020254254	1	44	-1.0	-47.46	366.64	5.49	-41.97
CC1=CC=C(CN(CCC2=CC=CC=C2)C2=NN=C(CC3=N[N-]N=N3)N2C)S1	REAL300020254255	0	49	-1.0	-46.63	412.57	9.74	-36.89
CC1=CC=C(CN(CCC2=CC=CC=C2)C2=NN=C(CC3=NN=N[N-]3)N2C)S1	REAL300020254255	1	49	-1.0	-46.69	412.63	9.76	-36.93
COC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C2CC2)C=C1	REAL300020254256	0	47	-1.0	-42.18	383.92	7.99	-34.19
COC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C2CC2)C=C1	REAL300020254256	1	47	-1.0	-42.17	383.98	8.00	-34.17
COC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C2CC2)C=C1	REAL300020254257	0	44	-1.0	-43.58	371.79	6.78	-36.80
COC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C2CC2)C=C1	REAL300020254257	1	44	-1.0	-43.61	371.73	6.75	-36.86
CCOC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020254258	0	50	-1.0	-43.61	389.93	7.04	-36.57
CCOC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020254258	1	50	-1.0	-43.57	389.98	7.06	-36.51
CCOC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020254259	0	47	-1.0	-43.22	370.55	6.32	-36.90
CCOC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020254259	1	47	-1.0	-43.22	370.62	6.34	-36.88
CC(C)C1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C2CC2)C=C1	REAL300020254260	0	52	-1.0	-40.06	415.54	9.47	-30.59
CC(C)C1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C2CC2)C=C1	REAL300020254260	1	52	-1.0	-40.08	415.60	9.49	-30.59
CC(C)C1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C2CC2)C=C1	REAL300020254261	0	49	-1.0	-42.50	402.46	9.38	-33.12
CC(C)C1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C2CC2)C=C1	REAL300020254261	1	49	-1.0	-42.49	402.52	9.41	-33.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020254262	0	43	-1.0	-39.91	370.15	8.31	-31.60
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020254262	1	43	-1.0	-39.94	370.21	8.32	-31.62
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020254263	0	40	-1.0	-41.61	348.70	7.55	-34.06
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020254263	1	40	-1.0	-41.61	348.64	7.52	-34.09
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020254264	0	47	-1.0	-42.72	393.41	9.95	-32.77
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020254264	1	47	-1.0	-42.73	393.42	9.94	-32.79
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)C(OC)=C1	REAL300020254265	0	51	-1.0	-46.04	404.72	7.61	-38.43
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)C(OC)=C1	REAL300020254265	1	51	-1.0	-46.07	404.78	7.62	-38.45
COC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)C(OC)=C1	REAL300020254266	0	48	-1.0	-49.14	384.10	6.77	-42.37
COC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)C(OC)=C1	REAL300020254266	1	48	-1.0	-49.13	384.16	6.79	-42.34
COC1=CC=C(OC)C2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2O	REAL300020254267	0	49	-1.0	-46.49	390.44	3.57	-42.92
COC1=CC=C(OC)C2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2O	REAL300020254267	1	49	-1.0	-46.47	390.50	3.58	-42.89
COC1=CC=C(OC)C2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2O	REAL300020254268	0	46	-1.0	-48.63	368.94	2.77	-45.86
COC1=CC=C(OC)C2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2O	REAL300020254268	1	46	-1.0	-48.61	369.00	2.80	-45.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020254269	0	46	-1.0	-42.70	373.48	3.53	-39.17
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020254269	1	46	-1.0	-42.71	373.54	3.54	-39.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020254270	0	43	-1.0	-45.48	346.11	2.76	-42.72
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020254270	1	43	-1.0	-45.53	346.17	2.79	-42.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CN3C=CC=CC3=N2)CC1	REAL300020254271	0	51	-1.0	-49.54	409.49	7.13	-42.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CN3C=CC=CC3=N2)CC1	REAL300020254271	1	51	-1.0	-49.51	409.54	7.15	-42.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CN3C=CC=CC3=N2)CC1	REAL300020254272	0	48	-1.0	-51.69	387.99	6.35	-45.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CN3C=CC=CC3=N2)CC1	REAL300020254272	1	48	-1.0	-51.69	388.04	6.37	-45.32
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254273	0	42	-1.0	-40.41	345.08	8.14	-32.27
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254273	1	42	-1.0	-40.38	345.14	8.16	-32.22
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254274	0	39	-1.0	-41.04	318.36	7.24	-33.80
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254274	1	39	-1.0	-41.06	318.30	7.22	-33.84
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254275	0	46	-1.0	-45.66	377.97	10.01	-35.65
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254275	1	46	-1.0	-45.64	378.01	10.00	-35.64
CC(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254276	0	43	-1.0	-46.56	343.50	5.37	-41.19
CC(=O)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254276	1	43	-1.0	-46.54	343.55	5.38	-41.16
CC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254277	0	40	-1.0	-48.20	315.70	4.39	-43.81
CC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254277	1	40	-1.0	-48.26	315.76	4.41	-43.85
CC(=O)N1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254278	0	47	-1.0	-49.02	368.34	7.49	-41.53
CC(=O)N1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254278	1	47	-1.0	-48.99	368.37	7.48	-41.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020254279	0	53	0.0	-77.84	412.82	9.63	-68.21
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020254279	1	53	0.0	-82.04	422.81	9.94	-72.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020254280	0	50	0.0	-78.42	399.53	8.77	-69.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020254280	1	50	0.0	-81.45	400.11	9.11	-72.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020254280	1	50	0.0	-78.40	399.58	8.80	-69.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020254280	1	50	0.0	-81.41	400.17	9.13	-72.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300020254281	0	52	0.0	-77.09	400.09	8.91	-68.18
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300020254281	1	52	0.0	-75.43	408.37	9.63	-65.80
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(CC2=CC=C(F)C=C2)CC1	REAL300020254281	1	51	-1.0	-42.19	402.37	6.83	-35.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(CC2=CC=C(F)C=C2)CC1	REAL300020254281	1	51	-1.0	-42.18	402.42	6.84	-35.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300020254282	0	49	0.0	-67.68	376.89	8.52	-59.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300020254282	1	49	0.0	-75.13	385.81	8.82	-66.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC2=CC=C(F)C=C2)CC1	REAL300020254282	1	48	-1.0	-44.49	381.62	6.06	-38.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC2=CC=C(F)C=C2)CC1	REAL300020254282	1	48	-1.0	-44.50	381.68	6.08	-38.42
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=C(Cl)C=C2)CC1	REAL300020254283	0	49	0.0	-66.64	387.21	8.97	-57.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=C(Cl)C=C2)CC1	REAL300020254283	1	49	0.0	-73.92	396.13	9.27	-64.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC2=CC=C(Cl)C=C2)CC1	REAL300020254283	1	48	-1.0	-43.71	391.95	6.51	-37.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC2=CC=C(Cl)C=C2)CC1	REAL300020254283	1	48	-1.0	-43.74	392.01	6.54	-37.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020254284	0	43	-1.0	-42.67	350.35	8.78	-33.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020254284	1	43	-1.0	-42.70	350.40	8.80	-33.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020254285	0	40	-1.0	-45.65	330.57	7.77	-37.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020254285	1	40	-1.0	-45.64	330.51	7.75	-37.89
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020254286	0	47	-1.0	-44.83	379.52	10.81	-34.02
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020254286	1	47	-1.0	-44.81	379.55	10.80	-34.01
COC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020254287	0	47	-1.0	-40.52	370.41	6.21	-34.31
COC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020254287	1	47	-1.0	-40.55	370.47	6.22	-34.33
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020254288	0	44	-1.0	-47.46	358.94	7.26	-40.20
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020254288	1	44	-1.0	-47.46	358.88	7.23	-40.23
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020254289	0	37	-1.0	-42.83	315.90	5.66	-37.17
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020254289	1	37	-1.0	-42.84	315.96	5.67	-37.17
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020254290	0	34	-1.0	-44.85	294.46	4.90	-39.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020254290	1	34	-1.0	-44.85	294.40	4.87	-39.98
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020254291	0	41	-1.0	-45.40	346.53	7.71	-37.69
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020254291	1	41	-1.0	-45.36	346.58	7.69	-37.67
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1OC	REAL300020254292	0	51	-1.0	-45.53	399.77	6.12	-39.41
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1OC	REAL300020254292	1	51	-1.0	-45.53	399.83	6.13	-39.40
COC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1OC	REAL300020254293	0	48	-1.0	-50.31	379.48	6.40	-43.91
COC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1OC	REAL300020254293	1	48	-1.0	-50.33	379.54	6.42	-43.91
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254294	0	42	-1.0	-41.48	351.44	8.20	-33.28
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254294	1	42	-1.0	-41.50	351.50	8.21	-33.29
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254295	0	39	-1.0	-44.03	329.95	7.41	-36.62
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254295	1	39	-1.0	-44.03	330.01	7.44	-36.59
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254296	0	46	-1.0	-44.06	382.31	10.27	-33.79
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254296	1	46	-1.0	-44.05	382.34	10.27	-33.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020254297	0	46	-1.0	-41.76	358.42	7.89	-33.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020254297	1	46	-1.0	-41.74	358.47	7.90	-33.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020254298	0	43	-1.0	-43.89	344.12	7.39	-36.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020254298	1	43	-1.0	-43.86	344.06	7.37	-36.49
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020254299	0	50	-1.0	-43.53	390.90	9.98	-33.55
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020254299	1	50	-1.0	-43.51	390.95	9.97	-33.54
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020254300	0	44	-1.0	-45.36	359.35	2.69	-42.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020254300	1	44	-1.0	-45.40	359.41	2.70	-42.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020254301	0	41	-1.0	-51.80	341.85	1.96	-49.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020254301	1	41	-1.0	-51.81	341.91	1.98	-49.83
CN(CC(C)(C)CN1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254302	0	54	-1.0	-41.57	401.02	5.58	-35.99
CN(CC(C)(C)CN1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254302	1	54	-1.0	-41.55	401.07	5.60	-35.95
CN(CC(C)(C)C[NH+]1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254302	1	55	0.0	-65.62	396.33	7.08	-58.54
CN(CC(C)(C)CN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254303	0	51	-1.0	-42.40	385.58	4.81	-37.59
CN(CC(C)(C)CN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254303	1	51	-1.0	-42.44	385.63	4.84	-37.60
CN(CC(C)(C)C[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254303	1	52	0.0	-65.34	377.74	6.44	-58.90
COCC1=NOC(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020254304	0	50	-1.0	-46.87	413.96	1.55	-45.32
COCC1=NOC(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020254304	1	50	-1.0	-46.85	414.02	1.56	-45.29
COCC1=NOC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020254305	0	47	-1.0	-48.85	391.51	0.31	-48.54
COCC1=NOC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020254305	1	47	-1.0	-48.87	391.57	0.34	-48.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020254306	0	44	-1.0	-43.33	355.45	8.88	-34.45
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020254306	1	44	-1.0	-43.31	355.48	8.87	-34.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020254307	0	44	-1.0	-42.18	343.61	5.18	-37.00
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020254307	1	44	-1.0	-42.16	343.67	5.20	-36.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020254308	0	41	-1.0	-43.61	323.42	4.38	-39.23
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020254308	1	41	-1.0	-43.62	323.47	4.41	-39.21
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020254309	0	48	-1.0	-44.41	374.91	7.24	-37.17
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020254309	1	48	-1.0	-44.31	374.97	7.22	-37.09
CC1=CC=NC(OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020254310	0	49	-1.0	-42.98	394.41	6.33	-36.65
CC1=CC=NC(OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254310	1	49	-1.0	-42.98	394.47	6.34	-36.64
CC1=CC=NC(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020254311	0	46	-1.0	-44.98	372.91	5.53	-39.45
CC1=CC=NC(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254311	1	46	-1.0	-44.98	372.97	5.56	-39.42
CCN(CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1)CC(F)(F)F	REAL300020254312	0	50	-1.0	-41.84	395.99	5.97	-35.87
CCN(CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1)CC(F)(F)F	REAL300020254312	1	50	-1.0	-41.80	396.05	5.99	-35.81
CCN(CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1)CC(F)(F)F	REAL300020254313	0	47	-1.0	-44.26	370.67	5.08	-39.18
CCN(CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1)CC(F)(F)F	REAL300020254313	1	47	-1.0	-44.30	370.72	5.10	-39.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=NC(C(N)=O)=C2)CC1	REAL300020254314	0	50	-1.0	-47.21	405.29	3.04	-44.17
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=NC(C(N)=O)=C2)CC1	REAL300020254314	1	50	-1.0	-47.23	405.23	3.02	-44.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=NC(C(N)=O)=C2)CC1	REAL300020254315	0	47	-1.0	-48.96	384.89	2.29	-46.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=NC(C(N)=O)=C2)CC1	REAL300020254315	1	47	-1.0	-48.98	384.83	2.26	-46.72
CCC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254316	0	46	-1.0	-43.31	357.67	8.24	-35.07
CCC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254316	1	46	-1.0	-43.34	357.43	8.23	-35.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020254317	0	52	-1.0	-41.67	411.79	9.94	-31.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020254317	1	52	-1.0	-41.71	411.85	9.96	-31.75
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020254318	0	49	-1.0	-46.14	383.89	9.22	-36.92
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020254318	1	49	-1.0	-46.14	383.94	9.24	-36.90
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020254319	0	47	-1.0	-41.03	367.30	5.94	-35.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020254319	1	47	-1.0	-41.05	367.36	5.96	-35.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020254320	0	44	-1.0	-45.13	335.23	4.59	-40.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020254320	1	44	-1.0	-45.12	335.29	4.61	-40.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020254321	0	51	-1.0	-43.16	398.43	8.02	-35.14
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020254321	1	51	-1.0	-43.12	398.49	8.00	-35.12
COC1=CC=C(CC(C)CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020254322	0	52	-1.0	-41.92	418.94	8.68	-33.24
COC1=CC=C(CC(C)CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020254322	1	52	-1.0	-41.95	419.00	8.70	-33.25
COC1=CC=C(CC(C)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020254323	0	49	-1.0	-48.66	391.16	7.93	-40.73
COC1=CC=C(CC(C)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020254323	1	49	-1.0	-48.66	391.23	7.95	-40.71
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254324	0	39	-1.0	-41.66	344.66	7.69	-33.97
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254324	1	39	-1.0	-41.65	344.72	7.70	-33.95
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254325	0	36	-1.0	-44.98	324.11	6.94	-38.04
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254325	1	36	-1.0	-44.99	324.17	6.96	-38.03
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254326	0	43	-1.0	-44.65	376.51	9.81	-34.84
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254326	1	43	-1.0	-44.65	376.54	9.81	-34.84
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C)OC1=CC=C(Cl)C(Cl)=C1	REAL300020254327	0	43	-1.0	-42.78	387.11	7.38	-35.40
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C)OC1=CC=C(Cl)C(Cl)=C1	REAL300020254327	1	43	-1.0	-42.77	387.17	7.40	-35.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC(C(F)(F)F)=CS2)C1	REAL300020254328	0	42	-1.0	-43.37	377.43	6.34	-37.03
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC(C(F)(F)F)=CS2)C1	REAL300020254328	1	42	-1.0	-43.34	377.49	6.37	-36.97
CC1=CN=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)S1	REAL300020254329	0	45	-1.0	-42.24	374.30	6.99	-35.25
CC1=CN=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)S1	REAL300020254329	1	45	-1.0	-42.26	374.36	7.00	-35.26
CC1=CN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)S1	REAL300020254330	0	42	-1.0	-43.28	352.81	6.19	-37.09
CC1=CN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)S1	REAL300020254330	1	42	-1.0	-43.30	352.86	6.22	-37.08
CCC1=CN=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)S1	REAL300020254331	0	41	-1.0	-40.88	351.63	6.10	-34.78
CCC1=CN=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)S1	REAL300020254331	1	41	-1.0	-40.87	351.69	6.12	-34.75
CCC1=CN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)S1	REAL300020254332	0	38	-1.0	-43.17	331.08	5.35	-37.82
CCC1=CN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)S1	REAL300020254332	1	38	-1.0	-43.17	331.14	5.38	-37.79
CCC1=CN=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)S1	REAL300020254333	0	45	-1.0	-45.19	382.28	7.99	-37.20
CCC1=CN=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)S1	REAL300020254333	1	45	-1.0	-45.15	382.32	7.98	-37.17
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020254334	0	43	-1.0	-47.05	337.76	2.32	-44.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020254334	1	43	-1.0	-47.05	337.82	2.34	-44.71
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020254335	0	40	-1.0	-47.85	320.94	2.12	-45.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020254335	1	40	-1.0	-47.84	321.00	2.15	-45.69
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020254336	0	47	-1.0	-47.16	373.30	4.99	-42.17
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020254336	1	47	-1.0	-47.14	373.33	4.98	-42.16
CC(C)C1CCC([NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020254337	0	61	0.0	-65.39	443.99	10.07	-55.32
CC(C)C1CCC([NH+]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020254337	1	61	0.0	-65.37	443.93	10.06	-55.31
CC(C)C1CCC([NH+]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020254338	0	58	0.0	-63.90	409.69	9.01	-54.89
CC(C)C1CCC([NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020254338	1	58	0.0	-63.94	409.75	9.04	-54.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020254339	0	46	-1.0	-44.30	379.22	5.75	-38.55
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020254339	1	46	-1.0	-44.30	379.16	5.73	-38.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020254340	0	43	-1.0	-47.47	358.80	5.00	-42.47
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020254340	1	43	-1.0	-47.40	358.75	4.98	-42.42
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020254341	0	46	-1.0	-45.14	386.36	5.72	-39.42
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020254341	1	46	-1.0	-45.13	386.30	5.70	-39.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020254342	0	43	-1.0	-50.43	358.86	4.98	-45.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020254342	1	43	-1.0	-50.36	358.80	4.95	-45.41
CC(C)C1=NC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=N1	REAL300020254343	0	46	-1.0	-40.73	383.06	6.02	-34.71
CC(C)C1=NC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=N1	REAL300020254343	1	46	-1.0	-40.73	383.12	6.03	-34.70
CC(C)C1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=N1	REAL300020254344	0	43	-1.0	-44.25	354.60	5.50	-38.75
CC(C)C1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=N1	REAL300020254344	1	43	-1.0	-44.25	354.66	5.53	-38.72
CC(C)C1=NC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=N1	REAL300020254345	0	50	-1.0	-43.72	409.59	8.26	-35.46
CC(C)C1=NC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=N1	REAL300020254345	1	50	-1.0	-43.73	409.63	8.25	-35.48
CN(C)C(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254346	0	49	-1.0	-47.31	387.19	6.30	-41.01
CN(C)C(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254346	1	49	-1.0	-47.29	387.25	6.31	-40.98
CN(C)C(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254347	0	46	-1.0	-49.11	361.32	5.60	-43.51
CN(C)C(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254347	1	46	-1.0	-49.11	361.38	5.63	-43.48
CN(C)C(=O)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254348	0	53	-1.0	-49.24	413.30	8.45	-40.79
CN(C)C(=O)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254348	1	53	-1.0	-49.16	413.35	8.44	-40.72
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254349	0	39	-1.0	-41.30	341.08	7.31	-33.99
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254349	1	39	-1.0	-41.36	341.13	7.33	-34.03
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254350	0	36	-1.0	-43.56	320.52	6.56	-37.00
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254350	1	36	-1.0	-43.53	320.58	6.59	-36.94
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C)O1	REAL300020254351	0	44	-1.0	-41.11	361.52	3.60	-37.51
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C)O1	REAL300020254351	1	44	-1.0	-41.10	361.58	3.61	-37.49
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C)O1	REAL300020254352	0	41	-1.0	-42.31	334.81	3.23	-39.08
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C)O1	REAL300020254352	1	41	-1.0	-42.34	334.86	3.26	-39.08
COCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(C)O1	REAL300020254353	0	48	-1.0	-44.64	381.48	6.13	-38.51
COCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(C)O1	REAL300020254353	1	48	-1.0	-44.61	381.53	6.10	-38.51
CC[N@H+](CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1)CC1CC1	REAL300020254354	0	61	0.0	-69.64	452.83	10.98	-58.66
CC[N@@H+](CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1)CC1CC1	REAL300020254354	1	61	0.0	-70.20	448.94	10.71	-59.49
CC[N@H+](CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1)CC1CC1	REAL300020254354	1	61	0.0	-69.66	452.89	11.00	-58.66
CC[N@@H+](CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1)CC1CC1	REAL300020254354	1	61	0.0	-70.23	448.99	10.72	-59.51
CC[N@H+](CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1)CC1CC1	REAL300020254355	0	58	0.0	-69.46	431.34	10.19	-59.27
CC[N@@H+](CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1)CC1CC1	REAL300020254355	1	58	0.0	-69.65	427.44	9.91	-59.74
CC[N@H+](CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1)CC1CC1	REAL300020254355	1	58	0.0	-69.46	431.40	10.21	-59.25
CC[N@@H+](CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1)CC1CC1	REAL300020254355	1	58	0.0	-69.67	427.50	9.94	-59.73
CN(CCC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254356	0	40	-1.0	-44.89	341.24	4.12	-40.77
CN(CCC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254356	1	40	-1.0	-44.87	341.30	4.13	-40.74
CN(CCC1=CN=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254357	0	37	-1.0	-46.62	319.69	3.36	-43.26
CN(CCC1=CN=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254357	1	37	-1.0	-46.66	319.75	3.38	-43.28
CN(CCC1=CN=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254358	0	44	-1.0	-47.26	372.22	6.21	-41.05
CN(CCC1=CN=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254358	1	44	-1.0	-47.17	372.27	6.21	-40.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300020254359	0	53	-1.0	-43.06	396.43	10.46	-32.60
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300020254359	1	53	-1.0	-43.06	396.49	10.47	-32.59
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300020254360	0	50	-1.0	-44.58	380.94	9.63	-34.95
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300020254360	1	50	-1.0	-44.62	381.00	9.66	-34.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCC1=C2SC=C1	REAL300020254361	0	48	-1.0	-41.74	390.91	7.52	-34.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCC1=C2SC=C1	REAL300020254361	1	48	-1.0	-41.74	390.97	7.54	-34.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCC1=C2SC=C1	REAL300020254362	0	45	-1.0	-44.85	363.26	6.76	-38.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCC1=C2SC=C1	REAL300020254362	1	45	-1.0	-44.82	363.32	6.79	-38.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020254363	0	40	-1.0	-45.94	329.83	1.80	-44.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020254363	1	40	-1.0	-45.96	329.89	1.82	-44.14
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020254364	0	44	-1.0	-47.44	360.35	3.95	-43.49
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020254364	1	44	-1.0	-47.44	360.40	3.94	-43.50
COC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254365	0	42	-1.0	-45.59	348.39	5.63	-39.96
COC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254365	1	42	-1.0	-45.57	348.45	5.64	-39.93
COC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254366	0	39	-1.0	-45.42	325.28	4.80	-40.62
COC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254366	1	39	-1.0	-45.42	325.33	4.82	-40.60
COC(=O)C1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254367	0	46	-1.0	-47.37	379.48	7.70	-39.67
COC(=O)C1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254367	1	46	-1.0	-47.38	379.54	7.67	-39.71
COCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254368	0	46	-1.0	-41.18	354.03	5.62	-35.56
COCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254368	1	46	-1.0	-41.20	354.09	5.63	-35.57
COCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254369	0	43	-1.0	-43.68	331.44	4.80	-38.88
COCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254369	1	43	-1.0	-43.68	331.50	4.82	-38.86
COCC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254370	0	50	-1.0	-43.39	384.90	7.70	-35.69
COCC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254370	1	50	-1.0	-43.37	384.94	7.69	-35.68
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(SC2=CC=C(Cl)C=C2)CC1	REAL300020254371	0	44	-1.0	-42.59	384.25	9.43	-33.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(SC2=CC=C(Cl)C=C2)CC1	REAL300020254371	1	44	-1.0	-42.56	384.30	9.46	-33.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	REAL300020254372	0	54	-1.0	-47.34	416.32	6.55	-40.79
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	REAL300020254372	1	54	-1.0	-47.36	416.38	6.57	-40.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	REAL300020254373	0	51	-1.0	-51.24	397.71	6.00	-45.24
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	REAL300020254373	1	51	-1.0	-51.21	397.77	6.03	-45.18
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C2CC2)O1	REAL300020254374	0	44	-1.0	-40.21	354.87	6.12	-34.09
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C2CC2)O1	REAL300020254374	1	44	-1.0	-40.22	354.93	6.14	-34.08
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C2CC2)O1	REAL300020254375	0	41	-1.0	-43.69	326.98	5.55	-38.14
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C2CC2)O1	REAL300020254375	1	41	-1.0	-43.71	327.03	5.57	-38.14
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(C2CC2)O1	REAL300020254376	0	48	-1.0	-42.47	390.42	8.02	-34.45
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(C2CC2)O1	REAL300020254376	1	48	-1.0	-42.44	390.48	8.00	-34.44
CC(C)C1=CC=NC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020254377	0	52	-1.0	-44.50	411.12	7.84	-36.66
CC(C)C1=CC=NC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020254377	1	52	-1.0	-44.57	411.18	7.85	-36.72
CC(C)C1=CC=NC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020254378	0	49	-1.0	-46.76	388.52	7.02	-39.74
CC(C)C1=CC=NC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020254378	1	49	-1.0	-46.75	388.58	7.04	-39.71
CC(C1=NC=CS1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254379	0	47	-1.0	-43.48	384.97	4.41	-39.07
CC(C1=NC=CS1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254379	1	47	-1.0	-43.50	385.02	4.43	-39.07
CC(C1=NC=CS1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254380	0	44	-1.0	-44.59	362.40	3.66	-40.93
CC(C1=NC=CS1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254380	1	44	-1.0	-44.54	362.46	3.68	-40.86
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=C(F)C=CC=C2Cl)CC1	REAL300020254381	0	45	-1.0	-45.26	374.45	6.09	-39.17
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=C(F)C=CC=C2Cl)CC1	REAL300020254381	1	45	-1.0	-45.29	374.50	6.12	-39.17
CC(C1=CSC=C1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254382	0	48	-1.0	-40.83	388.48	6.40	-34.43
CC(C1=CSC=C1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254382	1	48	-1.0	-40.84	388.54	6.42	-34.42
CC(C1=CSC=C1)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254382	1	49	0.0	-66.61	388.68	8.47	-58.14
CC(C1=CSC=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254383	0	45	-1.0	-43.20	366.92	5.62	-37.58
CC(C1=CSC=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254383	1	45	-1.0	-43.16	366.97	5.64	-37.52
CC(C1=CSC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254383	1	46	0.0	-65.81	368.27	7.74	-58.07
CN(CC1=NC(C(F)(F)F)=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254384	0	38	-1.0	-41.39	349.20	5.56	-35.83
CN(CC1=NC(C(F)(F)F)=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254384	1	38	-1.0	-41.38	349.26	5.57	-35.81
CN(CC1=NC(C(F)(F)F)=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254385	0	35	-1.0	-42.29	328.64	4.81	-37.48
CN(CC1=NC(C(F)(F)F)=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254385	1	35	-1.0	-42.32	328.69	4.83	-37.49
CC1=CC=C(F)C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020254386	0	42	-1.0	-43.32	352.74	7.82	-35.50
CC1=CC=C(F)C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020254386	1	42	-1.0	-43.34	352.80	7.83	-35.51
CC1=CC=C(F)C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020254387	0	39	-1.0	-43.70	332.54	7.08	-36.62
CC1=CC=C(F)C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020254387	1	39	-1.0	-43.70	332.48	7.05	-36.65
CC1=CC=C(F)C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020254388	0	46	-1.0	-43.70	375.59	9.80	-33.90
CC1=CC=C(F)C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020254388	1	46	-1.0	-43.69	375.64	9.79	-33.90
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H](C)O1	REAL300020254389	0	44	-1.0	-43.86	352.41	6.65	-37.21
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H](C)O1	REAL300020254389	1	44	-1.0	-43.81	352.42	6.64	-37.17
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254390	0	45	-1.0	-44.80	371.16	6.80	-38.00
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254390	1	45	-1.0	-44.82	371.22	6.82	-38.00
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254391	0	42	-1.0	-49.66	342.96	6.27	-43.39
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254391	1	42	-1.0	-49.69	343.01	6.30	-43.39
CCOC(=O)[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254392	0	49	-1.0	-46.76	391.85	8.58	-38.18
CCOC(=O)[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254392	1	49	-1.0	-46.78	391.87	8.56	-38.22
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C)(C)O1	REAL300020254393	0	43	-1.0	-41.25	337.38	5.39	-35.86
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C)(C)O1	REAL300020254393	1	43	-1.0	-41.25	337.44	5.41	-35.84
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(C)(C)O1	REAL300020254394	0	47	-1.0	-43.64	368.53	7.50	-36.14
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(C)(C)O1	REAL300020254394	1	47	-1.0	-43.67	368.32	7.48	-36.19
COC1=CC=C2NC=C(C3CCN(C4=NN=C(CC5=N[N-]N=N5)N4C)CC3)C2=C1	REAL300020254395	0	51	-1.0	-49.93	406.64	7.59	-42.34
COC1=CC=C2NC=C(C3CCN(C4=NN=C(CC5=NN=N[N-]5)N4C)CC3)C2=C1	REAL300020254395	1	51	-1.0	-49.93	406.70	7.61	-42.32
CC1=NN(C2=CC=CC=C2C)C(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254396	0	52	-1.0	-44.97	420.89	9.00	-35.97
CC1=NN(C2=CC=CC=C2C)C(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254396	1	52	-1.0	-44.98	420.94	9.03	-35.95
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020254397	0	42	-1.0	-41.11	343.48	7.80	-33.31
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020254397	1	42	-1.0	-41.10	343.53	7.82	-33.28
CC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020254398	0	46	-1.0	-43.48	375.32	9.93	-33.55
CC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020254398	1	46	-1.0	-43.46	375.36	9.92	-33.54
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C2=CC=CC=C2)O1	REAL300020254399	0	47	-1.0	-42.72	379.18	7.63	-35.09
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C2=CC=CC=C2)O1	REAL300020254399	1	47	-1.0	-42.70	379.24	7.65	-35.05
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C2=CC=CC=C2)O1	REAL300020254400	0	44	-1.0	-43.66	359.87	7.07	-36.59
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C2=CC=CC=C2)O1	REAL300020254400	1	44	-1.0	-43.67	359.92	7.10	-36.57
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C)O1	REAL300020254401	0	43	-1.0	-40.18	348.68	5.18	-35.00
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C)O1	REAL300020254401	1	43	-1.0	-40.22	348.74	5.20	-35.02
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(C)O1	REAL300020254402	0	47	-1.0	-43.55	373.20	7.48	-36.07
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(C)O1	REAL300020254402	1	47	-1.0	-43.56	373.23	7.47	-36.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020254403	0	50	-1.0	-42.26	403.09	8.71	-33.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020254403	1	50	-1.0	-42.27	403.15	8.72	-33.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020254404	0	47	-1.0	-44.86	382.64	7.94	-36.92
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020254404	1	47	-1.0	-44.88	382.70	7.96	-36.92
CN(CCC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254405	0	35	-1.0	-41.66	310.48	5.12	-36.54
CN(CCC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254405	1	35	-1.0	-41.65	310.54	5.14	-36.51
CN(CCC(F)(F)F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254406	0	39	-1.0	-44.19	341.58	7.21	-36.98
CN(CCC(F)(F)F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254406	1	39	-1.0	-44.16	341.62	7.20	-36.96
CCC1=NC(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=CS1	REAL300020254407	0	50	-1.0	-41.76	415.05	5.22	-36.54
CCC1=NC(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=CS1	REAL300020254407	1	50	-1.0	-41.76	415.10	5.23	-36.53
CCC1=NC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=CS1	REAL300020254408	0	47	-1.0	-46.28	388.84	4.36	-41.92
CCC1=NC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=CS1	REAL300020254408	1	47	-1.0	-46.27	388.89	4.38	-41.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCCOCC(F)(F)F)CC1	REAL300020254409	0	49	0.0	-74.63	400.14	6.45	-68.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCCOCC(F)(F)F)CC1	REAL300020254409	1	49	0.0	-74.68	400.20	6.48	-68.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCCOCC(F)(F)F)CC1	REAL300020254409	1	48	-1.0	-47.76	396.42	4.07	-43.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCCOCC(F)(F)F)CC1	REAL300020254409	1	48	-1.0	-47.81	396.47	4.09	-43.72
CCC1=NC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=CS1	REAL300020254410	0	41	-1.0	-43.55	350.90	5.63	-37.92
CCC1=NC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=CS1	REAL300020254410	1	41	-1.0	-43.57	350.96	5.65	-37.92
CCC1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=CS1	REAL300020254411	0	38	-1.0	-47.93	330.35	4.88	-43.05
CCC1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=CS1	REAL300020254411	1	38	-1.0	-47.89	330.41	4.91	-42.98
CCC1=NC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=CS1	REAL300020254412	0	45	-1.0	-43.73	382.90	8.02	-35.71
CCC1=NC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=CS1	REAL300020254412	1	45	-1.0	-43.67	382.94	8.00	-35.67
CN(CC1=CSC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254413	0	35	-1.0	-43.73	307.47	4.17	-39.56
CN(CC1=CSC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254413	1	35	-1.0	-43.72	307.53	4.18	-39.54
CN(CC1=CSC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254414	0	39	-1.0	-43.28	345.57	6.06	-37.22
CN(CC1=CSC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254414	1	39	-1.0	-43.26	345.61	6.05	-37.21
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020254415	0	50	-1.0	-42.34	403.47	9.03	-33.31
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020254415	1	50	-1.0	-42.35	403.53	9.04	-33.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020254416	0	47	-1.0	-44.49	375.88	8.28	-36.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020254416	1	47	-1.0	-44.51	375.94	8.30	-36.21
CN(C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1)S(C)(=O)=O	REAL300020254417	0	47	-1.0	-48.17	386.23	3.17	-45.00
CN(C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1)S(C)(=O)=O	REAL300020254417	1	47	-1.0	-48.20	386.29	3.18	-45.02
CN(C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1)S(C)(=O)=O	REAL300020254418	0	44	-1.0	-49.75	364.73	2.37	-47.38
CN(C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1)S(C)(=O)=O	REAL300020254418	1	44	-1.0	-49.73	364.79	2.40	-47.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2F)CC1	REAL300020254419	0	50	-1.0	-50.63	409.21	8.22	-42.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2F)CC1	REAL300020254419	1	50	-1.0	-50.64	409.26	8.23	-42.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2F)CC1	REAL300020254420	0	47	-1.0	-52.76	387.71	7.43	-45.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2F)CC1	REAL300020254420	1	47	-1.0	-52.76	387.77	7.46	-45.30
COC1=CC=CC(CC(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020254421	0	51	-1.0	-52.92	411.79	6.69	-46.23
COC1=CC=CC(CC(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254421	1	51	-1.0	-52.92	411.85	6.71	-46.21
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020254422	0	45	-1.0	-41.04	341.58	6.77	-34.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020254422	1	45	-1.0	-41.04	341.63	6.79	-34.25
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020254423	0	49	-1.0	-43.09	372.24	8.76	-34.33
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020254423	1	49	-1.0	-43.11	372.31	8.75	-34.36
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020254424	0	45	-1.0	-40.96	334.44	6.69	-34.27
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020254424	1	45	-1.0	-40.95	334.50	6.71	-34.24
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1(C)C	REAL300020254425	0	49	-1.0	-43.19	365.74	8.76	-34.43
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1(C)C	REAL300020254425	1	49	-1.0	-43.18	365.47	8.76	-34.42
CC1OCCC12CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CCO2	REAL300020254426	0	45	-1.0	-40.84	356.94	3.83	-37.01
CC1OCCC12CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CCO2	REAL300020254426	1	45	-1.0	-40.83	357.00	3.85	-36.98
CC1OCCC12CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CCO2	REAL300020254427	0	42	-1.0	-42.32	335.45	3.05	-39.27
CC1OCCC12CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CCO2	REAL300020254427	1	42	-1.0	-42.31	335.50	3.07	-39.24
CC1OCCC12CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)CCO2	REAL300020254428	0	49	-1.0	-45.10	378.67	5.75	-39.35
CC1OCCC12CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)CCO2	REAL300020254428	1	49	-1.0	-45.03	378.73	5.73	-39.30
CC1OCCC12CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC(C)O2	REAL300020254429	0	48	-1.0	-40.42	375.77	4.44	-35.98
CC1OCCC12CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC(C)O2	REAL300020254429	1	48	-1.0	-40.41	375.83	4.45	-35.96
CC1OCCC12CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC(C)O2	REAL300020254430	0	45	-1.0	-43.49	344.00	3.34	-40.15
CC1OCCC12CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC(C)O2	REAL300020254430	1	45	-1.0	-43.49	344.06	3.36	-40.13
CC1OCCC12CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)CC(C)O2	REAL300020254431	0	52	-1.0	-43.69	400.01	7.97	-35.72
CC1OCCC12CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)CC(C)O2	REAL300020254431	1	52	-1.0	-43.62	400.03	7.96	-35.66
CC(C)OC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254432	0	51	-1.0	-44.57	397.66	7.83	-36.74
CC(C)OC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254432	1	51	-1.0	-44.55	397.72	7.85	-36.70
CC(C)OC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254433	0	48	-1.0	-45.48	380.85	7.64	-37.84
CC(C)OC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254433	1	48	-1.0	-45.51	380.91	7.66	-37.85
COC(=O)C1=CN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)N=N1	REAL300020254434	0	48	-1.0	-45.73	404.87	5.16	-40.57
COC(=O)C1=CN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)N=N1	REAL300020254434	1	48	-1.0	-45.72	404.81	5.15	-40.57
COC(=O)C1=CN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)N=N1	REAL300020254435	0	45	-1.0	-46.72	383.37	4.38	-42.34
COC(=O)C1=CN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)N=N1	REAL300020254435	1	45	-1.0	-46.77	383.31	4.35	-42.42
COC(=O)C1=CN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)N=N1	REAL300020254436	0	45	-1.0	-45.48	384.97	4.46	-41.02
COC(=O)C1=CN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)N=N1	REAL300020254436	1	45	-1.0	-45.51	384.92	4.44	-41.07
COC(=O)C1=CN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)N=N1	REAL300020254437	0	42	-1.0	-47.49	364.53	3.70	-43.79
COC(=O)C1=CN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)N=N1	REAL300020254437	1	42	-1.0	-47.41	364.47	3.68	-43.73
COC(=O)C1=CN(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)N=N1	REAL300020254438	0	48	-1.0	-49.57	399.23	5.44	-44.13
COC(=O)C1=CN(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)N=N1	REAL300020254438	1	48	-1.0	-49.53	399.17	5.42	-44.11
COC(=O)C1=CN(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)N=N1	REAL300020254439	0	45	-1.0	-47.56	384.43	4.40	-43.16
COC(=O)C1=CN(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)N=N1	REAL300020254439	1	45	-1.0	-47.56	384.37	4.38	-43.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020254440	0	44	-1.0	-55.38	369.66	5.88	-49.50
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020254440	1	44	-1.0	-55.33	369.72	5.89	-49.44
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020254441	0	41	-1.0	-58.02	348.19	5.09	-52.93
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020254441	1	41	-1.0	-58.02	348.25	5.11	-52.91
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC12CCCCC2	REAL300020254442	0	52	-1.0	-41.18	369.02	8.27	-32.91
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC12CCCCC2	REAL300020254442	1	52	-1.0	-41.23	369.07	8.29	-32.94
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC12CCCCC2	REAL300020254443	0	49	-1.0	-44.43	347.52	7.49	-36.94
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC12CCCCC2	REAL300020254443	1	49	-1.0	-44.39	347.57	7.51	-36.88
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC12CCCCC2	REAL300020254444	0	56	-1.0	-43.48	403.77	10.92	-32.56
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC12CCCCC2	REAL300020254444	1	56	-1.0	-43.58	403.57	10.89	-32.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CSC3=CC=CC=C23)C1	REAL300020254445	0	49	-1.0	-45.49	401.97	10.34	-35.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CSC3=CC=CC=C23)C1	REAL300020254445	1	49	-1.0	-45.47	402.02	10.36	-35.11
CCC1(CC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCS1	REAL300020254446	0	46	-1.0	-40.10	356.49	8.04	-32.06
CCC1(CC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCS1	REAL300020254446	1	46	-1.0	-40.14	356.55	8.05	-32.09
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCS1	REAL300020254447	0	43	-1.0	-41.45	334.00	7.20	-34.25
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCS1	REAL300020254447	1	43	-1.0	-41.42	334.05	7.23	-34.19
CCC1(CC)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCS1	REAL300020254448	0	50	-1.0	-42.71	387.37	10.10	-32.61
CCC1(CC)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCS1	REAL300020254448	1	50	-1.0	-42.71	387.42	10.09	-32.62
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020254449	0	45	-1.0	-41.04	351.49	6.25	-34.79
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020254449	1	45	-1.0	-41.06	351.54	6.27	-34.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020254450	0	42	-1.0	-43.34	329.99	5.47	-37.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020254450	1	42	-1.0	-43.36	330.04	5.49	-37.87
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020254451	0	49	-1.0	-43.85	382.67	8.35	-35.50
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020254451	1	49	-1.0	-43.84	382.48	8.33	-35.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=C(F)C(F)=C2)CC1	REAL300020254452	0	47	-1.0	-44.37	386.37	9.69	-34.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=C(F)C(F)=C2)CC1	REAL300020254452	1	47	-1.0	-44.34	386.43	9.70	-34.64
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=C(F)C(F)=C2)CC1	REAL300020254453	0	44	-1.0	-46.31	363.79	8.86	-37.45
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=C(F)C(F)=C2)CC1	REAL300020254453	1	44	-1.0	-46.27	363.85	8.88	-37.39
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020254454	0	44	-1.0	-42.54	354.83	8.88	-33.66
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020254454	1	44	-1.0	-42.51	354.87	8.88	-33.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=C(F)C=C2)CC1	REAL300020254455	0	50	-1.0	-44.81	397.88	6.71	-38.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=C(F)C=C2)CC1	REAL300020254455	1	50	-1.0	-44.78	397.94	6.73	-38.05
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=C(F)C=C2)CC1	REAL300020254456	0	47	-1.0	-46.80	376.39	5.93	-40.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=C(F)C=C2)CC1	REAL300020254456	1	47	-1.0	-46.85	376.45	5.95	-40.90
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254457	0	48	-1.0	-40.70	349.77	7.37	-33.33
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254457	1	48	-1.0	-40.73	349.83	7.38	-33.35
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254458	0	45	-1.0	-42.93	328.27	6.57	-36.36
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254458	1	45	-1.0	-42.96	328.33	6.60	-36.36
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254459	0	52	-1.0	-42.28	383.56	9.39	-32.89
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254459	1	52	-1.0	-42.25	383.59	9.37	-32.88
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020254460	0	45	-1.0	-46.85	370.81	5.49	-41.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020254460	1	45	-1.0	-46.86	370.87	5.50	-41.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020254461	0	42	-1.0	-48.91	349.31	4.70	-44.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020254461	1	42	-1.0	-48.92	349.36	4.73	-44.19
CC(C)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254462	0	48	-1.0	-40.76	350.40	7.29	-33.47
CC(C)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254462	1	48	-1.0	-40.73	350.46	7.30	-33.43
CC(C)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254463	0	45	-1.0	-42.16	334.10	6.19	-35.97
CC(C)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254463	1	45	-1.0	-42.18	334.16	6.22	-35.96
CC(C)C1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254464	0	52	-1.0	-42.04	385.29	9.29	-32.75
CC(C)C1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254464	1	52	-1.0	-41.99	385.33	9.29	-32.70
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254465	0	45	-1.0	-41.15	347.09	7.19	-33.96
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254465	1	45	-1.0	-41.10	347.15	7.21	-33.89
CC(C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254466	0	49	-1.0	-43.11	381.76	9.34	-33.77
CC(C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254466	1	49	-1.0	-43.11	381.80	9.33	-33.78
COCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254467	0	47	-1.0	-42.78	375.01	4.75	-38.03
COCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254467	1	47	-1.0	-42.81	375.07	4.76	-38.05
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254468	0	44	-1.0	-46.32	354.61	3.99	-42.33
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254468	1	44	-1.0	-46.30	354.66	4.01	-42.29
COCCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254469	0	51	-1.0	-43.72	413.74	6.64	-37.08
COCCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254469	1	51	-1.0	-43.67	413.81	6.62	-37.05
COCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254470	0	44	-1.0	-43.41	356.35	6.43	-36.98
COCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254470	1	44	-1.0	-43.42	356.41	6.41	-37.01
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254471	0	45	-1.0	-40.77	339.57	7.26	-33.51
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254471	1	45	-1.0	-40.83	339.63	7.27	-33.56
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254472	0	49	-1.0	-43.31	372.50	8.71	-34.60
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254472	1	49	-1.0	-43.29	372.55	8.71	-34.58
COC(=O)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254473	0	48	-1.0	-45.34	381.57	7.57	-37.77
COC(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254473	1	48	-1.0	-45.30	381.63	7.59	-37.71
COC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254474	0	45	-1.0	-45.94	367.22	6.77	-39.17
COC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254474	1	45	-1.0	-45.94	367.28	6.79	-39.15
COC(=O)CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254475	0	52	-1.0	-46.03	420.30	9.47	-36.56
COC(=O)CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254475	1	52	-1.0	-45.99	420.36	9.45	-36.54
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020254476	0	47	-1.0	-42.82	370.92	7.56	-35.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020254476	1	47	-1.0	-42.80	370.97	7.58	-35.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020254477	0	44	-1.0	-45.34	349.40	6.78	-38.56
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020254477	1	44	-1.0	-45.35	349.46	6.80	-38.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Br)C=N2)CC1	REAL300020254478	0	40	-1.0	-43.75	353.25	5.77	-37.98
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Br)C=N2)CC1	REAL300020254478	1	40	-1.0	-43.73	353.19	5.74	-37.99
CN(CC1=CC=CC=C1N1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254479	0	52	-1.0	-43.07	411.05	6.60	-36.47
CN(CC1=CC=CC=C1N1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254479	1	52	-1.0	-43.07	411.11	6.62	-36.45
CN(CC1=CC=CC=C1N1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254480	0	49	-1.0	-43.97	388.42	5.78	-38.19
CN(CC1=CC=CC=C1N1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254480	1	49	-1.0	-44.00	388.48	5.80	-38.20
C=CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254481	0	44	-1.0	-41.65	359.26	8.54	-33.11
C=CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254481	1	44	-1.0	-41.62	359.32	8.52	-33.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC2=CC=C(F)C=C2)CC1	REAL300020254482	0	50	-1.0	-50.16	412.11	6.82	-43.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC2=CC=C(F)C=C2)CC1	REAL300020254482	1	50	-1.0	-50.18	412.17	6.84	-43.34
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)CC1	REAL300020254483	0	53	-1.0	-44.38	412.54	5.31	-39.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)CC1	REAL300020254483	1	53	-1.0	-44.39	412.60	5.32	-39.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)CC1	REAL300020254484	0	50	-1.0	-45.84	398.19	4.50	-41.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)CC1	REAL300020254484	1	50	-1.0	-45.84	398.25	4.53	-41.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)CC1	REAL300020254485	0	56	-1.0	-44.90	432.40	6.02	-38.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)CC1	REAL300020254485	1	56	-1.0	-44.88	432.46	6.03	-38.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)CC1	REAL300020254486	0	53	-1.0	-47.99	412.00	5.26	-42.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)CC1	REAL300020254486	1	53	-1.0	-47.99	412.06	5.28	-42.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)OC(C)(C)C)C1	REAL300020254487	0	53	-1.0	-43.23	412.51	5.32	-37.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)OC(C)(C)C)C1	REAL300020254487	1	53	-1.0	-43.24	412.57	5.33	-37.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)OC(C)(C)C)C1	REAL300020254488	0	50	-1.0	-43.23	398.74	4.30	-38.93
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)OC(C)(C)C)C1	REAL300020254488	1	50	-1.0	-43.29	398.80	4.32	-38.97
CN(CC1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254489	0	50	-1.0	-47.19	411.33	7.15	-40.04
CN(CC1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254489	1	50	-1.0	-47.19	411.39	7.16	-40.03
CN(CC1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254490	0	47	-1.0	-47.02	389.58	6.37	-40.65
CN(CC1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254490	1	47	-1.0	-46.95	389.63	6.39	-40.56
CC(C)NC(=O)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254491	0	50	-1.0	-42.81	406.61	3.47	-39.34
CC(C)NC(=O)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254491	1	50	-1.0	-42.82	406.67	3.48	-39.34
CC(C)NC(=O)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254492	0	47	-1.0	-45.35	378.55	2.65	-42.70
CC(C)NC(=O)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254492	1	47	-1.0	-45.35	378.61	2.67	-42.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)CC1	REAL300020254493	0	46	-1.0	-45.20	385.51	4.97	-40.23
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)CC1	REAL300020254493	1	46	-1.0	-45.16	385.57	4.99	-40.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)CC1	REAL300020254494	0	43	-1.0	-45.06	371.16	4.17	-40.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)CC1	REAL300020254494	1	43	-1.0	-45.04	371.22	4.19	-40.85
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020254495	0	48	-1.0	-43.55	389.70	3.49	-40.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020254495	1	48	-1.0	-43.56	389.75	3.50	-40.06
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020254496	0	45	-1.0	-45.70	368.20	2.70	-43.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020254496	1	45	-1.0	-45.69	368.26	2.73	-42.96
CCCC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254497	0	49	-1.0	-46.72	388.62	5.41	-41.31
CCCC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254497	1	49	-1.0	-46.72	388.68	5.43	-41.29
CCCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254498	0	46	-1.0	-48.53	374.28	4.61	-43.92
CCCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254498	1	46	-1.0	-48.51	374.33	4.63	-43.88
CCCC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254499	0	53	-1.0	-48.84	427.35	7.31	-41.53
CCCC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254499	1	53	-1.0	-48.75	427.42	7.29	-41.46
CC(C)C(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254500	0	49	-1.0	-46.10	392.78	5.28	-40.82
CC(C)C(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254500	1	49	-1.0	-46.08	392.84	5.29	-40.79
CC(C)C(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254501	0	46	-1.0	-50.08	366.27	4.56	-45.52
CC(C)C(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254501	1	46	-1.0	-50.14	366.33	4.59	-45.55
CC(C)C(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254502	0	53	-1.0	-48.56	418.89	7.44	-41.12
CC(C)C(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254502	1	53	-1.0	-48.52	418.93	7.42	-41.10
COCC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254503	0	47	-1.0	-50.14	379.85	4.02	-46.12
COCC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254503	1	47	-1.0	-50.12	379.90	4.03	-46.09
COCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254504	0	44	-1.0	-51.93	365.50	3.21	-48.72
COCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254504	1	44	-1.0	-51.95	365.56	3.23	-48.72
COCC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254505	0	51	-1.0	-52.22	418.58	5.91	-46.31
COCC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254505	1	51	-1.0	-52.25	418.64	5.89	-46.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020254506	0	48	-1.0	-43.55	389.70	3.49	-40.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020254506	1	48	-1.0	-43.56	389.75	3.50	-40.06
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020254507	0	45	-1.0	-45.70	368.20	2.70	-43.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020254507	1	45	-1.0	-45.69	368.26	2.73	-42.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020254508	0	50	-1.0	-49.23	404.35	5.79	-43.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020254508	1	50	-1.0	-49.21	404.41	5.81	-43.40
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020254509	0	47	-1.0	-53.88	382.87	4.98	-48.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020254509	1	47	-1.0	-53.88	382.93	5.01	-48.87
COCCCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254510	0	53	-1.0	-45.69	427.47	4.29	-41.40
COCCCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254510	1	53	-1.0	-45.69	427.52	4.30	-41.39
COCCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254511	0	50	-1.0	-48.47	400.96	3.57	-44.90
COCCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254511	1	50	-1.0	-48.50	401.02	3.60	-44.90
CC(=O)NCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254512	0	46	-1.0	-48.30	363.05	3.98	-44.32
CC(=O)NCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254512	1	46	-1.0	-48.29	363.11	3.99	-44.30
CC(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254513	0	43	-1.0	-51.93	346.25	3.78	-48.15
CC(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254513	1	43	-1.0	-51.95	346.30	3.81	-48.14
CC(=O)NCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254514	0	50	-1.0	-50.59	394.75	6.08	-44.51
CC(=O)NCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254514	1	50	-1.0	-50.58	394.79	6.07	-44.51
CC(=O)NCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254515	0	46	-1.0	-47.09	366.68	4.56	-42.53
CC(=O)NCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254515	1	46	-1.0	-47.12	366.73	4.57	-42.55
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254516	0	43	-1.0	-47.48	352.35	3.74	-43.74
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254516	1	43	-1.0	-47.49	352.41	3.77	-43.72
CC(=O)NCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254517	0	50	-1.0	-47.94	405.40	6.45	-41.49
CC(=O)NCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254517	1	50	-1.0	-47.99	405.48	6.43	-41.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020254518	0	50	-1.0	-42.41	395.90	4.43	-37.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020254518	1	50	-1.0	-42.44	395.95	4.45	-37.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020254519	0	47	-1.0	-43.51	374.40	3.64	-39.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020254519	1	47	-1.0	-43.52	374.46	3.66	-39.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2=CC=CC=C2)CC1	REAL300020254520	0	52	-1.0	-48.44	417.00	6.24	-42.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2=CC=CC=C2)CC1	REAL300020254520	1	52	-1.0	-48.43	417.06	6.25	-42.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2=CC=CC=C2)CC1	REAL300020254521	0	49	-1.0	-49.65	396.59	5.48	-44.17
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2=CC=CC=C2)CC1	REAL300020254521	1	49	-1.0	-49.65	396.64	5.50	-44.15
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CCCCC2)CC1	REAL300020254522	0	55	-1.0	-50.43	431.08	5.23	-45.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CCCCC2)CC1	REAL300020254522	1	55	-1.0	-50.41	431.14	5.27	-45.14
CCOCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254523	0	48	-1.0	-42.89	376.97	3.73	-39.16
CCOCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254523	1	48	-1.0	-42.94	377.03	3.74	-39.20
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254523	1	49	0.0	-67.17	378.45	6.13	-61.04
CCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254524	0	45	-1.0	-45.35	355.48	2.95	-42.40
CCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254524	1	45	-1.0	-45.37	355.54	2.97	-42.40
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254524	1	46	0.0	-67.01	358.06	5.39	-61.62
CCOCCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254525	0	52	-1.0	-44.62	411.16	5.89	-38.73
CCOCCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254525	1	52	-1.0	-44.62	411.21	5.86	-38.76
CCOCC[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254525	1	53	0.0	-70.71	416.55	8.00	-62.71
CC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020254526	0	48	-1.0	-40.88	383.83	7.06	-33.82
CC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020254526	1	48	-1.0	-40.92	383.89	7.07	-33.85
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020254527	0	45	-1.0	-42.81	362.34	6.27	-36.54
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020254527	1	45	-1.0	-42.84	362.39	6.30	-36.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020254528	0	45	-1.0	-42.80	379.64	6.60	-36.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020254528	1	45	-1.0	-42.80	379.70	6.62	-36.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2Cl)CC1	REAL300020254529	0	48	-1.0	-42.10	401.84	6.91	-35.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2Cl)CC1	REAL300020254529	1	48	-1.0	-42.09	401.89	6.92	-35.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2Cl)CC1	REAL300020254530	0	45	-1.0	-45.04	376.51	6.48	-38.56
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2Cl)CC1	REAL300020254530	1	45	-1.0	-45.03	376.57	6.51	-38.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020254531	0	49	0.0	-67.33	365.95	7.60	-59.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020254531	1	49	0.0	-67.35	366.01	7.62	-59.73
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020254532	0	46	0.0	-68.15	345.50	6.87	-61.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020254532	1	46	0.0	-68.15	345.55	6.89	-61.26
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020254533	0	53	0.0	-72.54	397.92	9.70	-62.84
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020254533	1	53	0.0	-72.50	397.97	9.69	-62.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3O2)C1	REAL300020254534	0	48	-1.0	-47.00	396.58	5.80	-41.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3O2)C1	REAL300020254534	1	48	-1.0	-46.97	396.64	5.82	-41.15
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3O2)C1	REAL300020254535	0	45	-1.0	-48.41	376.14	5.06	-43.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3O2)C1	REAL300020254535	1	45	-1.0	-48.42	376.20	5.08	-43.34
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020254536	0	42	-1.0	-40.89	328.34	4.26	-36.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020254536	1	42	-1.0	-40.91	328.40	4.27	-36.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020254536	1	43	0.0	-64.73	328.93	6.42	-58.31
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020254537	0	46	-1.0	-43.21	360.69	6.44	-36.77
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020254537	1	47	0.0	-70.78	367.49	8.82	-61.96
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020254537	1	46	-1.0	-43.21	360.72	6.43	-36.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300020254538	0	51	-1.0	-44.47	423.85	8.14	-36.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300020254538	1	51	-1.0	-44.51	423.91	8.15	-36.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300020254539	0	48	-1.0	-47.03	396.22	7.43	-39.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300020254539	1	48	-1.0	-47.05	396.28	7.45	-39.60
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254540	0	44	-1.0	-44.02	353.67	6.54	-37.48
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254540	1	44	-1.0	-44.00	353.71	6.52	-37.48
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020254541	0	49	-1.0	-44.93	373.34	5.83	-39.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020254541	1	49	-1.0	-44.97	373.40	5.84	-39.13
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020254542	0	46	-1.0	-46.15	351.85	5.04	-41.11
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020254542	1	46	-1.0	-46.15	351.90	5.07	-41.08
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020254543	0	53	-1.0	-47.58	404.44	7.92	-39.66
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020254543	1	53	-1.0	-47.50	404.50	7.92	-39.58
CN(C(=O)OC(C)(C)C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254544	0	53	-1.0	-47.20	408.20	6.60	-40.60
CN(C(=O)OC(C)(C)C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254544	1	53	-1.0	-47.18	408.26	6.62	-40.56
CN(C(=O)OC(C)(C)C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254545	0	50	-1.0	-45.71	379.16	5.00	-40.71
CN(C(=O)OC(C)(C)C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254545	1	50	-1.0	-45.70	379.22	5.03	-40.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020254546	0	45	-1.0	-44.17	380.88	6.19	-37.98
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020254546	1	45	-1.0	-44.13	380.83	6.18	-37.95
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020254547	0	42	-1.0	-48.41	353.58	5.44	-42.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020254547	1	42	-1.0	-48.44	353.52	5.41	-43.03
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020254548	0	40	-1.0	-44.12	332.12	7.66	-36.46
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020254548	1	40	-1.0	-44.01	332.18	7.65	-36.36
CC1=CC=C(C)C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020254549	0	51	-1.0	-41.14	401.94	8.47	-32.67
CC1=CC=C(C)C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254549	1	51	-1.0	-41.17	401.99	8.48	-32.69
CC1=CC=C(C)C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020254550	0	48	-1.0	-43.06	379.35	7.64	-35.42
CC1=CC=C(C)C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254550	1	48	-1.0	-43.04	379.41	7.67	-35.37
COCC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254551	0	44	-1.0	-48.29	356.43	4.57	-43.72
COCC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254551	1	44	-1.0	-48.31	356.49	4.58	-43.73
COCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254552	0	41	-1.0	-52.85	334.83	3.78	-49.07
COCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254552	1	41	-1.0	-52.85	334.89	3.80	-49.05
COCC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254553	0	48	-1.0	-51.03	387.29	6.63	-44.40
COCC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254553	1	48	-1.0	-51.01	387.34	6.63	-44.38
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020254554	0	46	-1.0	-46.70	373.43	6.25	-40.45
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020254554	1	46	-1.0	-46.68	373.37	6.24	-40.44
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020254555	0	43	-1.0	-48.55	352.30	5.44	-43.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020254555	1	43	-1.0	-48.52	352.24	5.42	-43.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020254556	0	47	-1.0	-46.07	389.79	7.05	-39.02
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020254556	1	47	-1.0	-46.02	389.85	7.07	-38.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020254557	0	44	-1.0	-48.93	363.55	6.40	-42.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020254557	1	44	-1.0	-48.96	363.61	6.43	-42.53
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020254558	0	48	-1.0	-43.57	387.90	6.72	-36.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020254558	1	48	-1.0	-43.58	387.96	6.74	-36.84
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020254559	0	45	-1.0	-44.10	371.31	5.75	-38.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020254559	1	45	-1.0	-44.08	371.36	5.78	-38.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(Cl)C=C2Cl)CC1	REAL300020254560	0	41	-1.0	-43.93	368.76	6.24	-37.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(Cl)C=C2Cl)CC1	REAL300020254560	1	41	-1.0	-43.92	368.71	6.22	-37.70
CCOC(=O)C1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)N=C1	REAL300020254561	0	50	-1.0	-47.73	409.44	6.61	-41.12
CCOC(=O)C1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)N=C1	REAL300020254561	1	50	-1.0	-47.78	409.39	6.59	-41.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020254562	0	44	-1.0	-43.01	371.21	6.32	-36.69
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020254562	1	44	-1.0	-43.04	371.16	6.31	-36.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020254563	0	41	-1.0	-43.70	348.63	5.51	-38.19
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020254563	1	41	-1.0	-43.67	348.58	5.48	-38.19
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CS2)CC1	REAL300020254564	0	47	-1.0	-47.45	400.13	7.20	-40.25
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CS2)CC1	REAL300020254564	1	47	-1.0	-47.45	400.18	7.22	-40.23
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CS2)CC1	REAL300020254565	0	44	-1.0	-50.79	372.50	6.50	-44.29
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CS2)CC1	REAL300020254565	1	44	-1.0	-50.80	372.56	6.53	-44.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CCC2CCCC2)CC1	REAL300020254566	0	56	-1.0	-45.58	435.59	8.49	-37.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CCC2CCCC2)CC1	REAL300020254566	1	56	-1.0	-45.58	435.65	8.50	-37.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CCC2CCCC2)CC1	REAL300020254567	0	53	-1.0	-49.49	408.87	7.81	-41.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CCC2CCCC2)CC1	REAL300020254567	1	53	-1.0	-49.44	408.93	7.84	-41.60
CCOC1=CC=CC=C1C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254568	0	51	-1.0	-50.60	408.66	6.92	-43.68
CCOC1=CC=CC=C1C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254568	1	51	-1.0	-50.60	408.71	6.95	-43.65
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1OC(F)F	REAL300020254569	0	47	-1.0	-46.80	390.56	6.61	-40.19
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1OC(F)F	REAL300020254569	1	47	-1.0	-46.87	390.62	6.63	-40.24
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1OC(F)F	REAL300020254570	0	44	-1.0	-51.21	370.00	5.87	-45.34
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1OC(F)F	REAL300020254570	1	44	-1.0	-51.20	370.06	5.89	-45.31
CCOC1=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=CC=C1OC(F)F	REAL300020254571	0	47	-1.0	-46.73	391.85	6.78	-39.95
CCOC1=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=CC=C1OC(F)F	REAL300020254571	1	47	-1.0	-46.72	391.91	6.80	-39.92
CN(CC1=CC=CC(Br)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254572	0	39	-1.0	-40.34	343.37	7.74	-32.60
CN(CC1=CC=CC(Br)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254572	1	39	-1.0	-40.34	343.43	7.76	-32.58
CN(CC1=CC=CC(Br)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254573	0	36	-1.0	-42.65	322.80	6.99	-35.66
CN(CC1=CC=CC(Br)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254573	1	36	-1.0	-42.67	322.87	7.02	-35.65
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020254574	0	42	-1.0	-41.06	343.48	7.79	-33.27
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020254574	1	42	-1.0	-41.07	343.54	7.81	-33.26
CC1=CC=CC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020254575	0	46	-1.0	-43.58	375.50	9.92	-33.66
CC1=CC=CC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020254575	1	46	-1.0	-43.50	375.53	9.91	-33.59
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254576	0	39	-1.0	-42.50	334.77	7.25	-35.25
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254576	1	39	-1.0	-42.48	334.83	7.26	-35.22
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254577	0	36	-1.0	-45.91	314.28	6.53	-39.38
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254577	1	36	-1.0	-45.89	314.22	6.50	-39.39
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254578	0	43	-1.0	-45.51	366.62	9.38	-36.13
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254578	1	43	-1.0	-45.48	366.65	9.37	-36.11
CN(CC1=CC=C(Br)O1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254579	0	36	-1.0	-39.27	332.97	5.86	-33.41
CN(CC1=CC=C(Br)O1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254579	1	36	-1.0	-39.26	333.03	5.87	-33.39
CN(CC1=CC=C(Br)O1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254580	0	33	-1.0	-41.16	304.73	5.33	-35.83
CN(CC1=CC=C(Br)O1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254580	1	33	-1.0	-41.18	304.78	5.35	-35.83
CN(CC1=CC=C(OC(F)(F)F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254581	0	43	-1.0	-40.86	368.07	6.92	-33.94
CN(CC1=CC=C(OC(F)(F)F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254581	1	43	-1.0	-40.84	368.12	6.94	-33.90
CN(CC1=CC=C(OC(F)(F)F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254582	0	40	-1.0	-44.03	347.52	6.17	-37.86
CN(CC1=CC=C(OC(F)(F)F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254582	1	40	-1.0	-44.06	347.57	6.20	-37.86
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254583	0	40	-1.0	-43.25	342.93	7.51	-35.74
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254583	1	40	-1.0	-43.27	342.99	7.53	-35.74
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254584	0	37	-1.0	-44.93	322.42	6.79	-38.14
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254584	1	37	-1.0	-44.93	322.36	6.76	-38.17
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254585	0	44	-1.0	-45.86	374.77	9.64	-36.22
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254585	1	44	-1.0	-45.88	374.79	9.63	-36.25
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254586	0	40	-1.0	-43.26	344.12	7.56	-35.70
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254586	1	40	-1.0	-43.29	344.18	7.57	-35.72
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254587	0	37	-1.0	-45.60	322.41	6.80	-38.80
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254587	1	37	-1.0	-45.57	322.36	6.77	-38.80
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254588	0	44	-1.0	-45.96	374.74	9.65	-36.31
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254588	1	44	-1.0	-46.00	374.78	9.64	-36.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2C(N)=O)CC1	REAL300020254589	0	48	-1.0	-51.24	390.41	3.53	-47.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2C(N)=O)CC1	REAL300020254589	1	48	-1.0	-51.22	390.35	3.52	-47.70
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2C(N)=O)CC1	REAL300020254590	0	45	-1.0	-54.74	367.81	2.72	-52.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2C(N)=O)CC1	REAL300020254590	1	45	-1.0	-54.72	367.75	2.70	-52.02
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020254591	0	48	-1.0	-40.34	361.58	7.70	-32.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020254591	1	48	-1.0	-40.35	361.63	7.72	-32.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020254592	0	45	-1.0	-42.85	345.86	6.81	-36.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020254592	1	45	-1.0	-42.85	345.91	6.83	-36.02
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020254593	0	52	-1.0	-41.54	399.90	9.53	-32.01
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020254593	1	52	-1.0	-41.54	399.99	9.51	-32.03
CSC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254594	0	43	-1.0	-42.14	359.12	8.26	-33.88
CSC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254594	1	43	-1.0	-42.17	359.18	8.27	-33.90
CSC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254595	0	40	-1.0	-43.12	347.30	7.12	-36.00
CSC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254595	1	40	-1.0	-43.12	347.24	7.09	-36.03
CSC1=CC=CC=C1CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254596	0	47	-1.0	-45.66	392.82	10.18	-35.48
CSC1=CC=CC=C1CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254596	1	47	-1.0	-45.69	392.86	10.17	-35.52
CC(C)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254597	0	48	-1.0	-41.09	365.88	8.03	-33.06
CC(C)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254597	1	48	-1.0	-41.06	365.93	8.04	-33.02
CC(C)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254598	0	45	-1.0	-41.99	350.93	6.99	-35.00
CC(C)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254598	1	45	-1.0	-42.01	350.99	7.02	-34.99
CC(C)CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254599	0	52	-1.0	-42.23	401.04	10.07	-32.16
CC(C)CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254599	1	52	-1.0	-42.19	401.07	10.06	-32.13
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020254600	0	56	0.0	-65.47	421.87	8.37	-57.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020254601	0	53	0.0	-67.60	401.39	7.60	-60.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020254601	1	53	0.0	-67.57	401.45	7.62	-59.95
CC(C)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1=O	REAL300020254602	0	46	-1.0	-42.86	362.29	5.76	-37.10
CC(C)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1=O	REAL300020254602	1	46	-1.0	-42.87	362.34	5.77	-37.10
CC(C)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1=O	REAL300020254603	0	43	-1.0	-44.25	340.79	4.97	-39.28
CC(C)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1=O	REAL300020254603	1	43	-1.0	-44.28	340.85	5.00	-39.28
CC(C)CN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1=O	REAL300020254604	0	50	-1.0	-45.43	393.39	7.84	-37.59
CC(C)CN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1=O	REAL300020254604	1	50	-1.0	-45.42	393.19	7.83	-37.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020254605	0	43	-1.0	-43.11	360.28	4.70	-38.41
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020254605	1	43	-1.0	-43.07	360.22	4.68	-38.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020254606	0	40	-1.0	-46.96	336.38	3.94	-43.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020254606	1	40	-1.0	-46.96	336.32	3.91	-43.05
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020254607	0	47	-1.0	-46.51	388.32	6.76	-39.75
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020254607	1	47	-1.0	-46.48	388.53	6.77	-39.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020254608	0	43	-1.0	-40.90	355.40	7.97	-32.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020254608	1	43	-1.0	-40.92	355.46	7.99	-32.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020254609	0	40	-1.0	-43.81	335.00	7.22	-36.59
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020254609	1	40	-1.0	-43.85	335.06	7.24	-36.61
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020254610	0	47	-1.0	-43.42	387.36	10.07	-33.35
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020254610	1	47	-1.0	-43.39	387.39	10.07	-33.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)CC2=NOC=C2)CC1	REAL300020254611	0	44	-1.0	-54.64	377.91	2.41	-52.23
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)CC2=NOC=C2)CC1	REAL300020254611	1	44	-1.0	-54.62	377.97	2.43	-52.19
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020254612	0	43	-1.0	-41.62	357.39	8.15	-33.47
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020254612	1	43	-1.0	-41.64	357.45	8.16	-33.48
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020254613	0	40	-1.0	-45.03	333.90	7.66	-37.37
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020254613	1	40	-1.0	-45.02	333.84	7.64	-37.38
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020254614	0	47	-1.0	-43.79	390.64	10.23	-33.56
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020254614	1	47	-1.0	-43.79	390.68	10.23	-33.56
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254615	0	42	-1.0	-43.90	332.76	6.86	-37.04
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254615	1	42	-1.0	-43.87	332.78	6.86	-37.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020254616	0	47	-1.0	-46.16	383.76	5.37	-40.79
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020254616	1	47	-1.0	-46.18	383.82	5.39	-40.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020254617	0	44	-1.0	-47.87	362.26	4.59	-43.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020254617	1	44	-1.0	-47.86	362.32	4.61	-43.25
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020254618	0	51	-1.0	-48.65	409.86	7.53	-41.12
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020254618	1	51	-1.0	-48.66	409.93	7.51	-41.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=C(F)C=CC=C2F)CC1	REAL300020254619	0	47	-1.0	-43.89	382.64	6.04	-37.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=C(F)C=CC=C2F)CC1	REAL300020254619	1	47	-1.0	-43.89	382.70	6.05	-37.84
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=C(F)C=CC=C2F)CC1	REAL300020254620	0	44	-1.0	-47.48	358.37	5.33	-42.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=C(F)C=CC=C2F)CC1	REAL300020254620	1	44	-1.0	-47.46	358.43	5.36	-42.10
CN(CCOC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254621	0	46	-1.0	-42.17	392.06	7.82	-34.35
CN(CCOC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254621	1	46	-1.0	-42.18	392.12	7.83	-34.35
CN(CCOC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254622	0	43	-1.0	-43.53	375.53	7.09	-36.44
CN(CCOC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254622	1	43	-1.0	-43.57	375.58	7.11	-36.46
CN(CC1=CC=C(F)C=C1Br)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254623	0	39	-1.0	-39.83	346.27	7.95	-31.88
CN(CC1=CC=C(F)C=C1Br)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254623	1	39	-1.0	-39.81	346.32	7.97	-31.84
CN(CC1=CC=C(F)C=C1Br)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254624	0	36	-1.0	-42.76	325.73	7.19	-35.57
CN(CC1=CC=C(F)C=C1Br)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254624	1	36	-1.0	-42.80	325.78	7.21	-35.59
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020254625	0	45	-1.0	-45.60	373.13	6.76	-38.84
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020254625	1	45	-1.0	-45.63	373.19	6.78	-38.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020254626	0	42	-1.0	-48.78	350.54	5.94	-42.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020254626	1	42	-1.0	-48.77	350.59	5.96	-42.81
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@@H]1OC	REAL300020254627	0	41	-1.0	-44.45	336.83	3.61	-40.84
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1OC	REAL300020254627	1	41	-1.0	-44.43	336.89	3.63	-40.80
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@@H]1OC	REAL300020254628	0	45	-1.0	-46.74	368.66	5.71	-41.03
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1OC	REAL300020254628	1	45	-1.0	-46.80	368.39	5.70	-41.10
CCOC(C)C1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=N1	REAL300020254629	0	47	-1.0	-42.67	392.24	3.29	-39.38
CCOC(C)C1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=N1	REAL300020254629	1	47	-1.0	-42.66	392.29	3.31	-39.35
CCOC(C)C1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=N1	REAL300020254630	0	44	-1.0	-44.71	370.33	2.80	-41.91
CCOC(C)C1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=N1	REAL300020254630	1	44	-1.0	-44.72	370.39	2.83	-41.89
CCOC(C)C1=NC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=CS1	REAL300020254631	0	48	-1.0	-43.32	404.95	5.61	-37.71
CCOC(C)C1=NC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=CS1	REAL300020254631	1	48	-1.0	-43.34	405.01	5.63	-37.71
CCOC(C)C1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=CS1	REAL300020254632	0	45	-1.0	-47.46	384.40	4.86	-42.60
CCOC(C)C1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=CS1	REAL300020254632	1	45	-1.0	-47.49	384.45	4.89	-42.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020254633	0	50	-1.0	-45.32	380.23	6.94	-38.38
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020254633	1	50	-1.0	-45.37	380.29	6.96	-38.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020254634	0	47	-1.0	-46.82	365.35	5.91	-40.91
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020254634	1	47	-1.0	-46.83	365.40	5.93	-40.90
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254635	0	51	0.0	-69.00	386.56	7.95	-61.05
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254635	1	51	0.0	-68.76	383.60	7.94	-60.82
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254635	1	51	0.0	-68.95	386.62	7.97	-60.98
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254635	1	51	0.0	-68.76	383.65	7.95	-60.81
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254636	0	48	0.0	-67.00	364.85	7.22	-59.78
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254636	1	48	0.0	-69.31	366.20	7.20	-62.11
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254636	1	48	0.0	-67.03	364.90	7.24	-59.79
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254636	1	48	0.0	-69.33	366.26	7.23	-62.10
CCC[N@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254637	0	55	0.0	-72.43	415.68	10.00	-62.43
CCC[N@@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254637	1	55	0.0	-73.36	418.43	10.05	-63.31
CCC[N@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254637	1	55	0.0	-72.34	415.71	9.99	-62.35
CCC[N@@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254637	1	55	0.0	-73.33	418.45	10.04	-63.29
COCCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254638	0	47	-1.0	-42.63	379.91	4.56	-38.07
COCCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254638	1	47	-1.0	-42.67	379.97	4.58	-38.09
COCCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254639	0	44	-1.0	-45.16	359.53	3.80	-41.36
COCCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254639	1	44	-1.0	-45.14	359.59	3.83	-41.31
COCCOCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254640	0	51	-1.0	-44.89	411.77	6.66	-38.23
COCCOCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254640	1	51	-1.0	-44.84	411.80	6.65	-38.19
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020254641	0	52	-1.0	-41.42	370.66	8.93	-32.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020254641	1	52	-1.0	-41.41	370.72	8.94	-32.47
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020254642	0	49	-1.0	-44.66	349.18	8.14	-36.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020254642	1	49	-1.0	-44.71	349.24	8.17	-36.54
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020254643	0	56	-1.0	-43.44	399.15	11.34	-32.10
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020254643	1	56	-1.0	-43.37	399.16	11.34	-32.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020254644	0	47	-1.0	-42.04	390.51	9.47	-32.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020254644	1	47	-1.0	-42.05	390.57	9.49	-32.56
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020254645	0	44	-1.0	-44.60	370.12	8.71	-35.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020254645	1	44	-1.0	-44.60	370.18	8.74	-35.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020254646	0	46	-1.0	-41.73	380.69	9.45	-32.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020254646	1	46	-1.0	-41.72	380.75	9.47	-32.25
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020254647	0	43	-1.0	-43.58	359.22	8.66	-34.92
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020254647	1	43	-1.0	-43.62	359.28	8.69	-34.93
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254648	0	49	-1.0	-41.14	381.38	9.49	-31.65
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254648	1	49	-1.0	-41.17	381.44	9.51	-31.66
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254649	0	46	-1.0	-42.83	359.88	8.70	-34.13
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254649	1	46	-1.0	-42.89	359.94	8.72	-34.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020254650	0	46	-1.0	-44.85	382.31	9.19	-35.66
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020254650	1	46	-1.0	-44.85	382.37	9.21	-35.64
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C(F)(F)F)CC1	REAL300020254651	0	46	-1.0	-46.54	375.29	8.96	-37.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C(F)(F)F)CC1	REAL300020254651	1	46	-1.0	-46.57	375.35	8.99	-37.58
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020254652	0	48	-1.0	-43.01	386.75	7.75	-35.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020254652	1	48	-1.0	-42.99	386.81	7.76	-35.23
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020254653	0	45	-1.0	-46.33	358.05	7.00	-39.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020254653	1	45	-1.0	-46.32	358.11	7.02	-39.30
CN1CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C1=O	REAL300020254654	0	47	-1.0	-51.55	369.76	5.55	-46.00
CN1CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C1=O	REAL300020254654	1	47	-1.0	-51.54	369.81	5.56	-45.98
CN1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C1=O	REAL300020254655	0	44	-1.0	-55.66	347.70	4.95	-50.71
CN1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C1=O	REAL300020254655	1	44	-1.0	-55.68	347.75	4.98	-50.70
CN1CCC2(CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2)C1=O	REAL300020254656	0	51	-1.0	-52.95	394.18	7.87	-45.08
CN1CCC2(CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2)C1=O	REAL300020254656	1	51	-1.0	-52.93	394.21	7.85	-45.08
COC1=CC=CC(OCCN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020254657	0	53	-1.0	-49.42	420.70	4.95	-44.47
COC1=CC=CC(OCCN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254657	1	53	-1.0	-49.44	420.76	4.97	-44.47
COC1=CC=CC(OCC[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254657	1	54	0.0	-73.90	421.91	7.24	-66.66
CN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254658	0	45	-1.0	-40.56	359.33	5.14	-35.42
CN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254658	1	45	-1.0	-40.53	359.39	5.16	-35.37
CN(CCOC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254659	0	49	-1.0	-42.28	391.51	7.28	-35.00
CN(CCOC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254659	1	49	-1.0	-42.27	391.55	7.27	-35.00
COC1=CC(NC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=CC(OC)=C1	REAL300020254660	0	53	-1.0	-47.48	418.15	5.17	-42.31
COC1=CC(NC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=CC(OC)=C1	REAL300020254660	1	53	-1.0	-47.49	418.20	5.19	-42.30
CN(CC1=CC(Br)=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254661	0	36	-1.0	-43.86	336.74	7.57	-36.29
CN(CC1=CC(Br)=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254661	1	36	-1.0	-43.88	336.80	7.60	-36.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020254662	0	46	-1.0	-42.37	382.88	9.06	-33.31
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020254662	1	46	-1.0	-42.39	382.94	9.08	-33.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020254663	0	43	-1.0	-45.63	362.47	8.25	-37.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020254663	1	43	-1.0	-45.64	362.52	8.27	-37.37
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C2=CSC=C2)O1	REAL300020254664	0	44	-1.0	-41.09	377.26	6.35	-34.74
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C2=CSC=C2)O1	REAL300020254664	1	44	-1.0	-41.09	377.31	6.37	-34.72
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C2=CSC=C2)O1	REAL300020254665	0	41	-1.0	-42.81	355.75	5.57	-37.24
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C2=CSC=C2)O1	REAL300020254665	1	41	-1.0	-42.79	355.81	5.59	-37.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020254666	0	50	-1.0	-40.01	356.83	6.85	-33.16
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020254666	1	50	-1.0	-40.00	356.89	6.87	-33.13
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020254667	0	47	-1.0	-41.78	347.06	6.57	-35.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020254667	1	47	-1.0	-41.78	347.11	6.60	-35.18
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020254668	0	54	-1.0	-42.16	389.22	8.95	-33.21
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020254668	1	54	-1.0	-42.19	389.25	8.94	-33.25
CC1=NN(C)C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1C#N	REAL300020254669	0	49	-1.0	-44.81	402.06	5.62	-39.19
CC1=NN(C)C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1C#N	REAL300020254669	1	49	-1.0	-44.81	402.12	5.63	-39.18
CC1=NN(C)C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1C#N	REAL300020254670	0	46	-1.0	-48.17	380.46	4.83	-43.34
CC1=NN(C)C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1C#N	REAL300020254670	1	46	-1.0	-48.15	380.52	4.85	-43.30
CCN(CC)C(=O)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254671	0	58	-1.0	-47.02	445.27	8.97	-38.05
CCN(CC)C(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254671	1	58	-1.0	-47.01	445.32	8.99	-38.02
CCN(CC)C(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254672	0	55	-1.0	-47.58	430.92	8.16	-39.42
CCN(CC)C(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254672	1	55	-1.0	-47.62	430.98	8.19	-39.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300020254673	0	59	0.0	-70.81	444.62	8.29	-62.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCN2CCOCC2)CC1	REAL300020254673	1	58	-1.0	-42.60	435.95	6.03	-36.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCN2CCOCC2)CC1	REAL300020254673	1	58	-1.0	-42.59	436.01	6.04	-36.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300020254674	0	56	0.0	-74.32	418.12	7.57	-66.75
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCN2CCOCC2)CC1	REAL300020254674	1	55	-1.0	-44.52	414.46	5.24	-39.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCN2CCOCC2)CC1	REAL300020254674	1	55	-1.0	-44.53	414.51	5.26	-39.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)(C)C)C1	REAL300020254675	0	55	-1.0	-47.52	421.80	6.02	-41.50
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)(C)C)C1	REAL300020254675	1	55	-1.0	-47.44	421.85	6.04	-41.40
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)(C)C)C1	REAL300020254676	0	52	-1.0	-51.20	404.98	5.83	-45.37
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)(C)C)C1	REAL300020254676	1	52	-1.0	-51.19	405.03	5.85	-45.34
CCCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254677	0	49	-1.0	-44.97	393.79	5.23	-39.74
CCCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254677	1	49	-1.0	-45.00	393.85	5.24	-39.76
CCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254678	0	46	-1.0	-47.65	367.29	4.51	-43.14
CCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254678	1	46	-1.0	-47.63	367.34	4.54	-43.09
CCCNC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254679	0	53	-1.0	-46.31	426.42	7.16	-39.15
CCCNC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254679	1	53	-1.0	-46.29	426.49	7.14	-39.15
CNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254680	0	43	-1.0	-49.55	352.41	3.41	-46.14
CNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254680	1	43	-1.0	-49.54	352.47	3.43	-46.11
CNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254681	0	40	-1.0	-51.03	330.91	2.63	-48.40
CNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254681	1	40	-1.0	-51.05	330.97	2.65	-48.40
CNC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254682	0	47	-1.0	-52.93	378.41	5.66	-47.27
CNC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254682	1	47	-1.0	-52.95	378.45	5.65	-47.30
CC(NC(=O)OC(C)(C)C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254683	0	56	-1.0	-47.10	435.05	5.81	-41.29
CC(NC(=O)OC(C)(C)C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254683	1	56	-1.0	-47.18	435.11	5.83	-41.35
CC(=O)NCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020254684	0	44	-1.0	-47.72	366.77	2.18	-45.54
CC(=O)NCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020254684	1	44	-1.0	-47.71	366.83	2.20	-45.51
CC(=O)NCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020254685	0	41	-1.0	-50.48	338.18	1.36	-49.12
CC(=O)NCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020254685	1	41	-1.0	-50.44	338.24	1.38	-49.06
CC(=O)NCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020254686	0	48	-1.0	-50.01	396.00	4.27	-45.74
CC(=O)NCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020254686	1	48	-1.0	-50.00	396.04	4.26	-45.74
CC1=CC=C(CC(=O)N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020254687	0	53	-1.0	-48.98	425.18	8.84	-40.14
CC1=CC=C(CC(=O)N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020254687	1	53	-1.0	-48.99	425.23	8.85	-40.14
CC1=CC=C(CC(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020254688	0	50	-1.0	-51.25	403.68	8.05	-43.20
CC1=CC=C(CC(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020254688	1	50	-1.0	-51.32	403.74	8.08	-43.24
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020254689	0	44	-1.0	-45.18	350.54	3.30	-41.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020254689	1	44	-1.0	-45.16	350.60	3.32	-41.84
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020254690	0	41	-1.0	-48.06	327.99	2.50	-45.56
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020254690	1	41	-1.0	-48.04	328.05	2.52	-45.52
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020254691	0	48	-1.0	-47.38	381.38	5.37	-42.01
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020254691	1	48	-1.0	-47.39	381.43	5.36	-42.03
CNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254692	0	42	-1.0	-47.31	343.84	3.24	-44.07
CNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254692	1	42	-1.0	-47.32	343.90	3.25	-44.07
CNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254693	0	39	-1.0	-50.61	315.92	2.50	-48.11
CNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254693	1	39	-1.0	-50.58	315.98	2.52	-48.06
CNC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254694	0	46	-1.0	-51.11	368.33	5.37	-45.74
CNC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254694	1	46	-1.0	-51.12	368.37	5.36	-45.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020254695	0	50	-1.0	-47.31	408.62	6.91	-40.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020254695	1	50	-1.0	-47.31	408.68	6.93	-40.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020254696	0	47	-1.0	-48.83	382.12	6.20	-42.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020254696	1	47	-1.0	-48.87	382.18	6.22	-42.65
CNC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254697	0	46	-1.0	-47.74	363.32	4.38	-43.36
CNC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254697	1	46	-1.0	-47.75	363.38	4.39	-43.36
CNC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254698	0	43	-1.0	-50.12	348.97	3.57	-46.55
CNC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254698	1	43	-1.0	-50.12	349.03	3.59	-46.53
CNC(=O)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254699	0	50	-1.0	-49.60	402.05	6.27	-43.33
CNC(=O)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254699	1	50	-1.0	-49.59	402.12	6.25	-43.34
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCC1NC(=O)OC(C)(C)C	REAL300020254700	0	56	-1.0	-46.04	436.57	5.85	-40.19
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCC1NC(=O)OC(C)(C)C	REAL300020254700	1	56	-1.0	-46.03	436.62	5.88	-40.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020254701	0	49	-1.0	-47.00	375.37	4.76	-42.24
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020254701	1	49	-1.0	-47.06	375.43	4.78	-42.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020254702	0	46	-1.0	-51.96	354.96	4.01	-47.95
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020254702	1	46	-1.0	-51.98	355.01	4.03	-47.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020254703	0	51	-1.0	-46.07	399.16	5.29	-40.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020254703	1	51	-1.0	-46.05	399.22	5.30	-40.75
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020254704	0	48	-1.0	-46.88	371.42	4.53	-42.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020254704	1	48	-1.0	-46.90	371.48	4.56	-42.34
CNC(=O)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254705	0	42	-1.0	-44.83	350.89	3.04	-41.79
CNC(=O)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254705	1	42	-1.0	-44.81	350.94	3.06	-41.75
CNC(=O)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254706	0	46	-1.0	-46.96	383.06	5.16	-41.80
CNC(=O)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254706	1	46	-1.0	-46.94	383.10	5.15	-41.79
CN1C(=O)NC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C1=O	REAL300020254707	0	45	-1.0	-45.08	364.84	3.25	-41.83
CN1C(=O)NC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C1=O	REAL300020254707	1	45	-1.0	-45.07	364.90	3.27	-41.80
CN1C(=O)NC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C1=O	REAL300020254708	0	42	-1.0	-45.57	342.25	2.43	-43.14
CN1C(=O)NC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C1=O	REAL300020254708	1	42	-1.0	-45.55	342.31	2.46	-43.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)C(F)(F)F)CC1	REAL300020254709	0	46	-1.0	-44.87	385.85	4.95	-39.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)C(F)(F)F)CC1	REAL300020254709	1	46	-1.0	-44.86	385.91	4.97	-39.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)C(F)(F)F)CC1	REAL300020254710	0	43	-1.0	-45.25	371.56	4.17	-41.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)C(F)(F)F)CC1	REAL300020254710	1	43	-1.0	-45.27	371.50	4.14	-41.13
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N-]C(=O)C(F)(F)F)CC1	REAL300020254710	1	42	-2.0	-80.76	369.61	2.61	-78.15
CN(CCCNC(=O)C1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254711	0	49	-1.0	-47.69	399.10	5.15	-42.54
CN(CCCNC(=O)C1CCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254711	1	49	-1.0	-47.66	399.16	5.16	-42.50
CN(CCCNC(=O)C1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254712	0	46	-1.0	-48.62	378.63	4.42	-44.20
CN(CCCNC(=O)C1CCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254712	1	46	-1.0	-48.66	378.68	4.44	-44.22
CN(CCCNC(=O)C1CCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254713	0	53	-1.0	-49.62	431.28	7.26	-42.36
CN(CCCNC(=O)C1CCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254713	1	53	-1.0	-49.58	431.33	7.25	-42.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020254714	0	46	-1.0	-45.58	377.63	3.47	-42.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020254714	1	46	-1.0	-45.54	377.69	3.49	-42.05
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020254715	0	43	-1.0	-47.22	356.12	2.69	-44.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020254715	1	43	-1.0	-47.23	356.18	2.71	-44.52
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020254716	0	50	-1.0	-48.14	408.57	5.56	-42.58
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020254716	1	50	-1.0	-48.12	408.61	5.54	-42.58
CC(NC(=O)OC(C)(C)C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254717	0	56	-1.0	-44.46	434.58	5.79	-38.67
CC(NC(=O)OC(C)(C)C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254717	1	56	-1.0	-44.47	434.63	5.81	-38.66
CC(NC(=O)OC(C)(C)C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254718	0	53	-1.0	-45.22	411.26	4.95	-40.27
CC(NC(=O)OC(C)(C)C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254718	1	53	-1.0	-45.24	411.32	4.97	-40.27
CNC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254719	0	43	-1.0	-53.53	347.49	3.38	-50.15
CNC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254719	1	43	-1.0	-53.56	347.55	3.39	-50.17
CNC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254720	0	40	-1.0	-49.54	324.80	2.48	-47.06
CNC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254720	1	40	-1.0	-49.60	324.86	2.51	-47.09
CNC(=O)C1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254721	0	47	-1.0	-52.24	378.68	5.28	-46.96
CNC(=O)C1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254721	1	47	-1.0	-52.21	378.72	5.26	-46.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(=O)OC(C)(C)C)C1	REAL300020254722	0	54	-1.0	-45.08	432.49	3.62	-41.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(=O)OC(C)(C)C)C1	REAL300020254722	1	54	-1.0	-45.11	432.55	3.64	-41.47
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(=O)OC(C)(C)C)C1	REAL300020254723	0	51	-1.0	-47.63	404.18	2.79	-44.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(=O)OC(C)(C)C)C1	REAL300020254723	1	51	-1.0	-47.63	404.24	2.82	-44.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020254724	0	53	-1.0	-43.62	413.58	5.34	-38.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020254724	1	53	-1.0	-43.63	413.63	5.36	-38.27
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020254725	0	50	-1.0	-43.22	398.74	4.30	-38.92
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020254725	1	50	-1.0	-43.30	398.80	4.33	-38.97
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1NC(=O)OC(C)(C)C	REAL300020254726	0	53	-1.0	-42.99	411.03	5.42	-37.57
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1NC(=O)OC(C)(C)C	REAL300020254726	1	53	-1.0	-43.03	411.09	5.44	-37.59
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1NC(=O)OC(C)(C)C	REAL300020254727	0	50	-1.0	-47.55	394.22	4.19	-43.36
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1NC(=O)OC(C)(C)C	REAL300020254727	1	50	-1.0	-47.57	394.28	4.21	-43.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(NC(=O)OC(C)(C)C)CC1	REAL300020254728	0	56	-1.0	-42.85	423.51	6.15	-36.70
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(NC(=O)OC(C)(C)C)CC1	REAL300020254728	1	56	-1.0	-42.84	423.57	6.17	-36.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(NC(=O)OC(C)(C)C)CC1	REAL300020254729	0	53	-1.0	-44.71	401.90	5.36	-39.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(NC(=O)OC(C)(C)C)CC1	REAL300020254729	1	53	-1.0	-44.71	401.96	5.39	-39.32
CNC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020254730	0	41	-1.0	-47.57	343.92	2.23	-45.34
CNC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020254730	1	41	-1.0	-47.60	343.97	2.25	-45.35
CNC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020254731	0	38	-1.0	-50.08	316.15	1.62	-48.46
CNC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020254731	1	38	-1.0	-50.08	316.21	1.64	-48.44
CNC(=O)C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020254732	0	45	-1.0	-51.30	373.68	4.53	-46.77
CNC(=O)C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020254732	1	45	-1.0	-51.34	373.73	4.53	-46.81
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254733	0	42	-1.0	-49.45	347.76	3.16	-46.29
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254733	1	42	-1.0	-49.55	347.81	3.17	-46.38
CNC(=O)C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254734	0	46	-1.0	-51.22	379.94	5.28	-45.94
CNC(=O)C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254734	1	46	-1.0	-51.20	379.98	5.27	-45.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020254735	0	42	-1.0	-49.65	336.92	2.83	-46.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020254735	1	42	-1.0	-49.62	336.97	2.84	-46.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020254736	0	39	-1.0	-51.78	314.31	2.01	-49.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020254736	1	39	-1.0	-51.80	314.37	2.03	-49.77
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020254737	0	46	-1.0	-51.35	374.44	4.90	-46.45
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020254737	1	46	-1.0	-51.37	374.56	4.87	-46.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020254738	0	40	-1.0	-46.69	323.32	2.42	-44.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020254738	1	40	-1.0	-46.71	323.38	2.43	-44.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020254739	0	37	-1.0	-47.74	302.02	1.65	-46.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020254739	1	37	-1.0	-47.73	301.97	1.62	-46.11
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020254740	0	44	-1.0	-49.21	361.54	4.25	-44.96
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020254740	1	44	-1.0	-49.24	361.59	4.23	-45.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020254741	0	42	-1.0	-50.38	339.61	1.77	-48.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020254741	1	42	-1.0	-50.42	339.67	1.79	-48.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020254742	0	39	-1.0	-52.40	318.12	0.98	-51.42
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020254742	1	39	-1.0	-52.39	318.18	1.00	-51.39
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020254743	0	46	-1.0	-52.85	371.84	3.89	-48.96
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020254743	1	46	-1.0	-52.87	371.90	3.87	-49.00
CCOC(=O)CNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254744	0	52	-1.0	-44.86	427.49	5.50	-39.36
CCOC(=O)CNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254744	1	52	-1.0	-44.83	427.55	5.51	-39.32
CCOC(=O)CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254745	0	49	-1.0	-48.00	400.98	4.78	-43.22
CCOC(=O)CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254745	1	49	-1.0	-48.00	401.04	4.81	-43.19
CC(C)C(=O)NCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254746	0	45	-1.0	-43.24	370.42	3.77	-39.47
CC(C)C(=O)NCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254746	1	45	-1.0	-43.26	370.47	3.78	-39.48
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254747	0	42	-1.0	-45.27	349.94	3.04	-42.23
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254747	1	42	-1.0	-45.24	350.00	3.06	-42.18
CC(C)C(=O)NCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254748	0	49	-1.0	-45.67	402.60	5.88	-39.79
CC(C)C(=O)NCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254748	1	49	-1.0	-45.65	402.64	5.87	-39.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2C(=O)NCC2CC2)CC1	REAL300020254749	0	54	-1.0	-44.70	433.34	7.19	-37.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2C(=O)NCC2CC2)CC1	REAL300020254749	1	54	-1.0	-44.72	433.39	7.21	-37.51
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2C(=O)NCC2CC2)CC1	REAL300020254750	0	51	-1.0	-46.03	411.84	6.41	-39.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2C(=O)NCC2CC2)CC1	REAL300020254750	1	51	-1.0	-46.03	411.90	6.43	-39.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020254751	0	43	-1.0	-49.31	367.63	3.96	-45.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020254751	1	43	-1.0	-49.29	367.69	3.98	-45.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020254752	0	40	-1.0	-50.89	347.10	3.22	-47.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020254752	1	40	-1.0	-50.88	347.16	3.24	-47.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020254753	0	42	-1.0	-48.40	333.37	2.22	-46.18
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020254753	1	42	-1.0	-48.45	333.43	2.24	-46.21
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020254754	0	39	-1.0	-48.84	312.88	1.49	-47.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020254754	1	39	-1.0	-48.84	312.94	1.51	-47.33
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020254755	0	46	-1.0	-48.54	372.79	4.85	-43.69
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020254755	1	46	-1.0	-48.58	372.85	4.85	-43.73
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020254756	0	39	-1.0	-40.90	324.33	6.44	-34.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020254756	1	39	-1.0	-40.97	324.39	6.45	-34.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020254757	0	36	-1.0	-43.66	303.92	5.68	-37.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020254757	1	36	-1.0	-43.66	303.97	5.71	-37.95
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020254758	0	43	-1.0	-42.68	360.67	8.49	-34.19
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020254758	1	43	-1.0	-42.65	360.71	8.48	-34.17
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020254759	0	37	-1.0	-45.61	312.36	6.86	-38.75
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020254759	1	37	-1.0	-45.59	312.39	6.85	-38.74
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254760	0	48	0.0	-70.63	362.71	5.85	-64.78
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254760	1	48	0.0	-70.66	362.76	5.86	-64.80
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254761	0	45	0.0	-71.40	342.07	5.06	-66.34
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254761	1	45	0.0	-71.38	342.13	5.08	-66.30
CC(C)[NH2+]C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254762	0	52	0.0	-75.72	394.43	7.91	-67.81
CC(C)[NH2+]C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254762	1	52	0.0	-75.73	394.46	7.91	-67.82
CN(CCCC1=CC(C2=CC=C(F)C=C2)=NO1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254763	0	48	-1.0	-46.44	413.63	9.03	-37.41
CN(CCCC1=CC(C2=CC=C(F)C=C2)=NO1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254763	1	48	-1.0	-46.37	413.57	9.00	-37.37
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=C(F)C=C2)CC1	REAL300020254764	0	50	-1.0	-46.90	410.72	7.38	-39.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=C(F)C=C2)CC1	REAL300020254764	1	50	-1.0	-46.88	410.77	7.40	-39.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=C(F)C=C2)CC1	REAL300020254765	0	47	-1.0	-51.54	385.84	6.70	-44.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=C(F)C=C2)CC1	REAL300020254765	1	47	-1.0	-51.55	385.90	6.72	-44.83
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2C(=O)NC3=CC=CC=C32)CC1	REAL300020254766	0	51	-1.0	-46.49	398.49	7.16	-39.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2C(=O)NC3=CC=CC=C32)CC1	REAL300020254766	1	51	-1.0	-46.49	398.55	7.17	-39.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2C(=O)NC3=CC=CC=C32)CC1	REAL300020254767	0	48	-1.0	-47.94	376.99	6.36	-41.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2C(=O)NC3=CC=CC=C32)CC1	REAL300020254767	1	48	-1.0	-47.94	377.05	6.39	-41.55
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C(Cl)=C2)C1	REAL300020254768	0	44	-1.0	-41.52	388.17	7.25	-34.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C(Cl)=C2)C1	REAL300020254768	1	44	-1.0	-41.49	388.23	7.26	-34.23
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C(Cl)=C2)C1	REAL300020254769	0	41	-1.0	-42.79	366.48	6.48	-36.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C(Cl)=C2)C1	REAL300020254769	1	41	-1.0	-42.80	366.54	6.50	-36.30
CCC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254770	0	43	-1.0	-46.08	349.90	5.11	-40.97
CCC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254770	1	43	-1.0	-46.10	349.95	5.12	-40.98
CCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254771	0	40	-1.0	-50.04	322.26	4.41	-45.63
CCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254771	1	40	-1.0	-50.05	322.32	4.43	-45.62
CCC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254772	0	47	-1.0	-48.02	374.57	7.25	-40.77
CCC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254772	1	47	-1.0	-48.03	374.62	7.24	-40.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C(F)=C2)C1	REAL300020254773	0	44	-1.0	-42.13	378.28	6.81	-35.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C(F)=C2)C1	REAL300020254773	1	44	-1.0	-42.09	378.34	6.82	-35.27
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C(F)=C2)C1	REAL300020254774	0	41	-1.0	-43.36	356.59	6.04	-37.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C(F)=C2)C1	REAL300020254774	1	41	-1.0	-43.35	356.65	6.06	-37.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)C(Cl)=C2)C1	REAL300020254775	0	41	-1.0	-42.34	375.81	6.89	-35.45
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)C(Cl)=C2)C1	REAL300020254775	1	41	-1.0	-42.35	375.86	6.91	-35.44
CN(CCN1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254776	0	45	-1.0	-41.34	358.11	2.41	-38.93
CN(CCN1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254776	1	45	-1.0	-41.38	358.17	2.43	-38.95
CN(CCN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254777	0	42	-1.0	-42.82	337.63	1.68	-41.14
CN(CCN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254777	1	42	-1.0	-42.86	337.69	1.71	-41.15
CN(CCN1CCOCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254778	0	49	-1.0	-43.22	389.53	4.56	-38.66
CN(CCN1CCOCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254778	1	49	-1.0	-43.18	389.57	4.56	-38.62
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020254779	0	44	-1.0	-43.49	359.92	6.48	-37.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020254779	1	44	-1.0	-43.48	359.98	6.50	-36.98
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020254780	0	41	-1.0	-44.83	337.37	5.65	-39.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020254780	1	41	-1.0	-44.87	337.43	5.68	-39.19
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020254781	0	44	-1.0	-43.74	371.97	6.76	-36.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020254781	1	44	-1.0	-43.72	372.03	6.78	-36.94
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020254782	0	41	-1.0	-45.71	348.80	6.14	-39.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020254782	1	41	-1.0	-45.73	348.86	6.17	-39.56
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020254783	0	46	-1.0	-42.38	355.03	8.43	-33.95
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020254783	1	46	-1.0	-42.37	355.09	8.42	-33.95
CCOC(=O)N(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254784	0	50	-1.0	-43.76	398.53	6.33	-37.43
CCOC(=O)N(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254784	1	50	-1.0	-43.73	398.58	6.34	-37.39
CCOC(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254785	0	47	-1.0	-47.23	377.03	5.52	-41.71
CCOC(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254785	1	47	-1.0	-47.21	377.08	5.55	-41.66
CN(CCC1=CC=C(Br)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254786	0	42	-1.0	-42.85	366.73	8.64	-34.21
CN(CCC1=CC=C(Br)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254786	1	42	-1.0	-42.87	366.79	8.65	-34.22
CN(CCC1=CC=C(Br)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254787	0	39	-1.0	-42.85	352.00	7.63	-35.22
CN(CCC1=CC=C(Br)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254787	1	39	-1.0	-42.91	352.06	7.66	-35.25
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(F)C=C2F)CC1	REAL300020254788	0	44	-1.0	-51.67	371.71	6.54	-45.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(F)C=C2F)CC1	REAL300020254788	1	44	-1.0	-51.69	371.77	6.56	-45.13
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020254789	0	58	0.0	-74.20	439.06	11.05	-63.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020254789	1	58	0.0	-73.71	439.15	11.06	-62.65
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020254789	1	58	0.0	-74.20	439.12	11.06	-63.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020254789	1	58	0.0	-73.70	439.21	11.07	-62.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020254790	0	55	0.0	-73.39	417.56	10.25	-63.14
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020254790	1	55	0.0	-74.69	418.70	10.30	-64.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020254790	1	55	0.0	-73.41	417.62	10.28	-63.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020254790	1	55	0.0	-74.70	418.76	10.33	-64.37
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C)C1=CC=CC=C1	REAL300020254791	0	45	-1.0	-42.91	370.08	8.45	-34.46
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C)C1=CC=CC=C1	REAL300020254791	1	45	-1.0	-42.93	370.14	8.47	-34.46
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C)C1=CC=CC=C1	REAL300020254792	0	42	-1.0	-41.89	348.04	7.67	-34.22
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C)C1=CC=CC=C1	REAL300020254792	1	42	-1.0	-41.83	347.98	7.64	-34.19
CC(CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1=CC=CC=C1	REAL300020254793	0	49	-1.0	-45.17	399.72	10.67	-34.50
CC(CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1=CC=CC=C1	REAL300020254793	1	49	-1.0	-45.10	399.77	10.66	-34.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020254794	0	51	-1.0	-42.72	396.50	8.17	-34.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020254794	1	51	-1.0	-42.75	396.56	8.19	-34.56
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020254795	0	48	-1.0	-42.91	382.15	7.37	-35.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020254795	1	48	-1.0	-42.91	382.21	7.39	-35.52
CC[NH+](CC)CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254796	0	55	0.0	-71.53	410.96	6.95	-64.58
CC[NH+](CC)CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254797	0	52	0.0	-73.40	389.47	6.18	-67.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020254798	0	53	0.0	-72.45	403.55	6.97	-65.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020254799	0	50	0.0	-74.46	382.05	6.19	-68.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020254800	0	36	-1.0	-48.18	305.16	1.65	-46.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020254800	1	36	-1.0	-48.23	305.22	1.67	-46.56
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020254801	0	40	-1.0	-51.48	337.10	3.75	-47.73
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020254801	1	40	-1.0	-51.47	337.14	3.75	-47.72
COC1=CC=CC=C1CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254802	0	52	-1.0	-42.52	415.87	5.83	-36.69
COC1=CC=CC=C1CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254802	1	52	-1.0	-42.55	415.93	5.84	-36.71
COC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254802	1	53	0.0	-65.33	406.55	8.45	-56.88
COC1=CC=CC=C1CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254803	0	49	-1.0	-45.21	383.77	5.42	-39.79
COC1=CC=CC=C1CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254803	1	49	-1.0	-45.19	383.83	5.45	-39.74
COC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254803	1	50	0.0	-64.86	386.14	7.70	-57.16
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)S1	REAL300020254804	0	39	-1.0	-40.70	335.49	7.10	-33.60
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)S1	REAL300020254804	1	39	-1.0	-40.69	335.54	7.11	-33.58
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)S1	REAL300020254805	0	36	-1.0	-44.82	314.17	6.33	-38.49
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)S1	REAL300020254805	1	36	-1.0	-44.83	314.11	6.31	-38.52
CC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)S1	REAL300020254806	0	43	-1.0	-43.68	366.50	9.19	-34.49
CC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)S1	REAL300020254806	1	43	-1.0	-43.64	366.52	9.18	-34.46
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)SC=N1	REAL300020254807	0	38	-1.0	-40.59	333.47	4.70	-35.89
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)SC=N1	REAL300020254807	1	38	-1.0	-40.61	333.53	4.71	-35.90
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)SC=N1	REAL300020254808	0	35	-1.0	-42.20	313.08	3.97	-38.23
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)SC=N1	REAL300020254808	1	35	-1.0	-42.18	313.03	3.96	-38.22
CC1=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)SC=N1	REAL300020254809	0	42	-1.0	-43.04	365.30	6.81	-36.23
CC1=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)SC=N1	REAL300020254809	1	42	-1.0	-43.00	365.35	6.80	-36.20
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCS1	REAL300020254810	0	41	-1.0	-43.00	339.63	8.13	-34.87
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCS1	REAL300020254810	1	41	-1.0	-42.99	339.67	8.13	-34.86
CC1=C(C)OC(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020254811	0	50	-1.0	-45.19	400.05	3.10	-42.09
CC1=C(C)OC(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020254811	1	50	-1.0	-45.23	400.11	3.11	-42.12
CC1=C(C)OC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020254812	0	47	-1.0	-47.38	378.56	2.31	-45.07
CC1=C(C)OC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020254812	1	47	-1.0	-47.42	378.61	2.34	-45.08
CC(C1=CC=C(F)C=C1F)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254813	0	48	-1.0	-45.72	383.49	6.23	-39.49
CC(C1=CC=C(F)C=C1F)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254813	1	48	-1.0	-45.73	383.55	6.26	-39.47
COC1=CC=CC(C(C)N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020254814	0	55	-1.0	-42.19	427.43	6.90	-35.29
COC1=CC=CC(C(C)N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254814	1	55	-1.0	-42.20	427.49	6.92	-35.28
COC1=CC=CC(C(C)[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254814	1	56	0.0	-68.45	427.37	8.82	-59.63
COC1=CC=CC(C(C)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020254815	0	52	-1.0	-44.73	399.48	6.04	-38.69
COC1=CC=CC(C(C)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254815	1	52	-1.0	-44.73	399.54	6.06	-38.67
COC1=CC=CC(C(C)[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254815	1	53	0.0	-64.43	405.87	8.03	-56.40
CN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254816	0	39	-1.0	-42.69	338.14	7.64	-35.05
CN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254816	1	39	-1.0	-42.67	338.19	7.66	-35.01
CN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254817	0	36	-1.0	-47.00	317.65	6.91	-40.09
CN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254817	1	36	-1.0	-46.99	317.58	6.88	-40.11
CN(CC1=CC=CC=C1Cl)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254818	0	43	-1.0	-45.08	369.98	9.76	-35.32
CN(CC1=CC=CC=C1Cl)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254818	1	43	-1.0	-45.07	370.01	9.75	-35.32
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1OC	REAL300020254819	0	47	-1.0	-44.06	380.81	6.32	-37.74
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1OC	REAL300020254819	1	47	-1.0	-44.09	380.87	6.34	-37.75
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1OC	REAL300020254820	0	44	-1.0	-47.30	360.24	5.58	-41.72
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1OC	REAL300020254820	1	44	-1.0	-47.26	360.31	5.60	-41.66
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C(OC)=C1	REAL300020254821	0	47	-1.0	-43.02	375.34	5.99	-37.03
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C(OC)=C1	REAL300020254821	1	47	-1.0	-43.01	375.40	6.00	-37.01
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C(OC)=C1	REAL300020254822	0	44	-1.0	-44.33	367.51	4.84	-39.49
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C(OC)=C1	REAL300020254822	1	44	-1.0	-44.33	367.57	4.86	-39.47
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)O1	REAL300020254823	0	39	-1.0	-40.45	333.18	5.95	-34.50
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)O1	REAL300020254823	1	39	-1.0	-40.48	333.24	5.96	-34.52
CC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)O1	REAL300020254824	0	43	-1.0	-42.61	363.41	8.00	-34.61
CC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)O1	REAL300020254824	1	43	-1.0	-42.54	363.45	8.00	-34.54
COC1=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=CC=C1OC(F)F	REAL300020254825	0	47	-1.0	-44.34	390.56	6.60	-37.74
COC1=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=CC=C1OC(F)F	REAL300020254825	1	47	-1.0	-44.32	390.62	6.62	-37.70
COC1=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=CC=C1OC(F)F	REAL300020254826	0	44	-1.0	-46.95	370.00	5.86	-41.09
COC1=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=CC=C1OC(F)F	REAL300020254826	1	44	-1.0	-46.98	370.06	5.88	-41.10
CN(CC1=C(F)C=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254827	0	39	-1.0	-43.31	339.58	7.51	-35.80
CN(CC1=C(F)C=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254827	1	39	-1.0	-43.32	339.64	7.53	-35.79
CN(CC1=C(F)C=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254828	0	36	-1.0	-47.58	316.01	6.64	-40.94
CN(CC1=C(F)C=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254828	1	36	-1.0	-47.62	316.07	6.66	-40.96
CN(CC1=C(F)C=CC=C1Cl)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254829	0	43	-1.0	-45.93	368.40	9.51	-36.42
CN(CC1=C(F)C=CC=C1Cl)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254829	1	43	-1.0	-45.96	368.43	9.50	-36.46
CN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254830	0	42	-1.0	-40.79	360.80	8.13	-32.66
CN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254830	1	42	-1.0	-40.79	360.86	8.14	-32.65
CN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254831	0	39	-1.0	-43.56	340.25	7.38	-36.18
CN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254831	1	39	-1.0	-43.59	340.31	7.41	-36.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020254832	0	48	-1.0	-50.91	376.13	5.52	-45.39
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020254832	1	48	-1.0	-50.90	376.19	5.54	-45.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020254833	0	45	-1.0	-53.41	355.07	4.79	-48.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020254833	1	45	-1.0	-53.36	355.12	4.81	-48.55
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3O2)CC1	REAL300020254834	0	48	-1.0	-44.53	396.05	6.02	-38.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3O2)CC1	REAL300020254834	1	48	-1.0	-44.50	396.10	6.04	-38.46
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3O2)CC1	REAL300020254835	0	45	-1.0	-47.39	374.54	5.24	-42.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3O2)CC1	REAL300020254835	1	45	-1.0	-47.36	374.60	5.26	-42.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020254836	0	47	-1.0	-44.96	382.50	6.99	-37.97
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020254836	1	47	-1.0	-44.96	382.55	7.01	-37.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020254837	0	44	-1.0	-47.05	361.00	6.21	-40.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020254837	1	44	-1.0	-47.06	361.05	6.23	-40.83
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254838	0	39	-1.0	-40.44	338.81	7.64	-32.80
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254838	1	39	-1.0	-40.46	338.87	7.65	-32.81
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254839	0	36	-1.0	-42.78	318.30	6.91	-35.87
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254839	1	36	-1.0	-42.73	318.24	6.89	-35.84
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254840	0	43	-1.0	-42.90	370.65	9.77	-33.13
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254840	1	43	-1.0	-42.85	370.67	9.76	-33.09
CN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254841	0	39	-1.0	-41.10	353.99	8.10	-33.00
CN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254841	1	39	-1.0	-41.16	354.04	8.11	-33.05
CN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254842	0	36	-1.0	-44.52	333.43	7.35	-37.17
CN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254842	1	36	-1.0	-44.50	333.49	7.37	-37.13
CN(CCOC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254843	0	43	-1.0	-41.92	370.07	7.34	-34.58
CN(CCOC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254843	1	43	-1.0	-41.93	370.13	7.35	-34.58
CN(CCOC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254844	0	40	-1.0	-43.05	353.54	6.61	-36.44
CN(CCOC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254844	1	40	-1.0	-43.03	353.60	6.63	-36.40
CN(CCOC1=CC=C(Br)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254845	0	40	-1.0	-42.90	358.10	6.71	-36.19
CN(CCOC1=CC=C(Br)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254845	1	40	-1.0	-42.96	358.16	6.73	-36.23
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C3OCCOC3=C2)CC1	REAL300020254846	0	51	-1.0	-48.66	403.64	4.84	-43.82
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C3OCCOC3=C2)CC1	REAL300020254846	1	51	-1.0	-48.64	403.70	4.87	-43.77
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020254847	0	40	-1.0	-49.82	329.38	1.90	-47.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020254847	1	40	-1.0	-49.80	329.44	1.91	-47.89
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020254848	0	44	-1.0	-52.71	356.43	4.16	-48.55
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020254848	1	44	-1.0	-52.71	356.49	4.15	-48.56
CN(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254849	0	40	-1.0	-42.57	341.49	7.18	-35.39
CN(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254849	1	40	-1.0	-42.58	341.54	7.17	-35.41
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3S2)CC1	REAL300020254850	0	48	-1.0	-42.78	405.83	8.27	-34.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3S2)CC1	REAL300020254850	1	48	-1.0	-42.82	405.89	8.29	-34.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3S2)CC1	REAL300020254851	0	45	-1.0	-45.19	384.34	7.48	-37.71
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3S2)CC1	REAL300020254851	1	45	-1.0	-45.16	384.39	7.50	-37.66
CN(CC1=CC=C2OCCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254852	0	45	-1.0	-43.11	366.57	6.28	-36.83
CN(CC1=CC=C2OCCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254852	1	45	-1.0	-43.11	366.62	6.29	-36.82
CN(CC1=CC=C2OCCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254853	0	42	-1.0	-45.81	346.01	5.53	-40.28
CN(CC1=CC=C2OCCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254853	1	42	-1.0	-45.82	346.08	5.55	-40.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3S2)C1	REAL300020254854	0	48	-1.0	-46.55	398.80	8.48	-38.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3S2)C1	REAL300020254854	1	48	-1.0	-46.54	398.86	8.49	-38.05
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3S2)C1	REAL300020254855	0	45	-1.0	-49.99	377.31	7.69	-42.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3S2)C1	REAL300020254855	1	45	-1.0	-50.02	377.37	7.72	-42.30
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300020254856	0	48	-1.0	-41.85	397.35	7.00	-34.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300020254856	1	48	-1.0	-41.88	397.40	7.01	-34.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300020254857	0	45	-1.0	-44.36	376.72	6.39	-37.97
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300020254857	1	45	-1.0	-44.41	376.78	6.42	-37.99
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254858	0	48	0.0	-66.77	362.89	7.40	-59.37
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254858	1	48	0.0	-66.78	362.95	7.42	-59.36
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254859	0	45	0.0	-67.00	342.48	6.64	-60.36
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254859	1	45	0.0	-67.07	342.54	6.67	-60.40
CC(C)C[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254860	0	52	0.0	-70.08	401.27	9.32	-60.76
CC(C)C[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254860	1	52	0.0	-70.09	401.33	9.31	-60.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020254861	0	46	-1.0	-40.78	348.68	7.82	-32.96
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020254861	1	46	-1.0	-40.76	348.74	7.83	-32.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020254862	0	43	-1.0	-42.76	327.18	7.02	-35.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020254862	1	43	-1.0	-42.79	327.23	7.05	-35.74
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCC2C1	REAL300020254863	0	50	-1.0	-43.00	380.70	9.92	-33.08
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCC2C1	REAL300020254863	1	50	-1.0	-42.97	380.73	9.91	-33.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(C#N)C=C2)CC1	REAL300020254864	0	49	-1.0	-45.45	402.30	7.05	-38.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(C#N)C=C2)CC1	REAL300020254864	1	49	-1.0	-45.47	402.36	7.07	-38.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C#N)C=C2)CC1	REAL300020254864	1	50	0.0	-82.88	403.76	9.29	-73.59
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(C#N)C=C2)CC1	REAL300020254865	0	46	-1.0	-47.43	380.81	6.27	-41.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(C#N)C=C2)CC1	REAL300020254865	1	46	-1.0	-47.44	380.87	6.29	-41.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C#N)C=C2)CC1	REAL300020254865	1	47	0.0	-80.00	382.26	8.50	-71.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020254866	0	49	-1.0	-41.65	377.48	4.39	-37.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020254866	1	49	-1.0	-41.69	377.54	4.41	-37.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020254866	1	50	0.0	-64.89	386.06	6.14	-58.75
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020254867	0	46	-1.0	-44.25	354.89	3.57	-40.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020254867	1	46	-1.0	-44.22	354.95	3.60	-40.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020254867	1	47	0.0	-63.81	365.61	5.43	-58.38
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020254868	0	53	-1.0	-43.63	407.95	6.46	-37.17
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020254868	1	54	0.0	-70.38	417.91	8.23	-62.15
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020254868	1	53	-1.0	-43.64	408.01	6.44	-37.20
CC1=CC=CC(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254869	0	52	0.0	-70.11	404.33	9.57	-60.54
CC1=CC=CC(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020254869	1	51	-1.0	-41.92	402.89	7.32	-34.60
CC1=CC=CC(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254869	1	51	-1.0	-41.95	402.95	7.34	-34.61
CC1=CC=CC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020254870	0	48	-1.0	-44.18	381.40	6.54	-37.64
CC1=CC=CC(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254870	1	49	0.0	-67.66	382.83	8.79	-58.87
CC1=CC=CC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020254870	1	48	-1.0	-44.17	381.46	6.56	-37.61
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254871	0	43	-1.0	-45.95	356.59	3.91	-42.04
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254871	1	43	-1.0	-45.95	356.64	3.93	-42.02
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254872	0	40	-1.0	-47.66	336.10	3.19	-44.47
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254872	1	40	-1.0	-47.63	336.05	3.16	-44.47
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254873	0	47	-1.0	-48.54	388.43	6.04	-42.50
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254873	1	47	-1.0	-48.54	388.47	6.03	-42.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020254874	0	45	-1.0	-61.59	378.74	4.60	-56.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020254874	1	45	-1.0	-61.63	378.68	4.59	-57.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020254875	0	42	-1.0	-60.78	351.07	3.90	-56.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020254875	1	42	-1.0	-60.80	351.01	3.88	-56.92
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254876	0	51	0.0	-66.48	371.87	7.62	-58.86
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254876	1	51	0.0	-66.51	371.93	7.63	-58.88
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254877	0	48	0.0	-64.49	355.55	6.81	-57.68
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254877	1	48	0.0	-64.50	355.60	6.84	-57.66
CC[NH+](CC)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254878	0	55	0.0	-69.57	410.03	9.47	-60.10
CC[NH+](CC)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254878	1	55	0.0	-69.51	410.06	9.46	-60.05
CC1=CC=C(OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020254879	0	50	-1.0	-41.47	394.65	8.60	-32.87
CC1=CC=C(OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020254879	1	50	-1.0	-41.45	394.70	8.61	-32.84
CC1=CC=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020254880	0	47	-1.0	-42.66	373.14	7.80	-34.86
CC1=CC=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020254880	1	47	-1.0	-42.74	373.20	7.83	-34.91
CC1=CC=C(NC(=O)C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)N=C1	REAL300020254881	0	52	-1.0	-51.31	417.57	7.73	-43.58
CC1=CC=C(NC(=O)C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)N=C1	REAL300020254881	1	52	-1.0	-51.27	417.52	7.72	-43.55
CC1=CC=C(NC(=O)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)N=C1	REAL300020254882	0	49	-1.0	-51.17	396.08	6.95	-44.22
CC1=CC=C(NC(=O)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)N=C1	REAL300020254882	1	49	-1.0	-51.15	396.02	6.92	-44.23
CC1=CC=C(NC(=O)C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)N=C1	REAL300020254883	0	52	-1.0	-54.71	424.65	7.43	-47.28
CC1=CC=C(NC(=O)C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)N=C1	REAL300020254883	1	52	-1.0	-54.72	424.59	7.42	-47.30
CC1=CC=C(NC(=O)C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)N=C1	REAL300020254884	0	49	-1.0	-56.05	403.15	6.65	-49.40
CC1=CC=C(NC(=O)C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)N=C1	REAL300020254884	1	49	-1.0	-56.06	403.09	6.62	-49.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020254885	0	44	-2.0	-85.36	379.21	3.69	-81.67
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020254885	1	44	-2.0	-85.37	379.15	3.67	-81.70
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020254886	0	41	-2.0	-88.21	357.71	2.90	-85.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020254886	1	41	-2.0	-88.22	357.65	2.88	-85.34
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254887	0	46	-1.0	-42.14	362.45	8.83	-33.31
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254887	1	46	-1.0	-42.19	362.50	8.82	-33.37
CN(CCN1C=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254888	0	39	-1.0	-45.85	333.30	4.99	-40.86
CN(CCN1C=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254888	1	39	-1.0	-45.86	333.24	4.97	-40.89
CN(CCN1C=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254889	0	43	-1.0	-48.31	364.28	7.05	-41.26
CN(CCN1C=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254889	1	43	-1.0	-48.35	364.23	7.06	-41.29
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020254890	0	47	-1.0	-47.80	384.89	7.18	-40.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020254890	1	47	-1.0	-47.80	384.95	7.20	-40.60
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020254891	0	44	-1.0	-51.14	364.17	6.43	-44.71
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020254891	1	44	-1.0	-51.17	364.23	6.45	-44.72
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020254892	0	53	0.0	-69.92	403.05	6.71	-63.21
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020254892	1	53	0.0	-69.90	403.10	6.72	-63.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020254893	0	50	0.0	-68.78	374.14	6.11	-62.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020254893	1	50	0.0	-68.80	374.20	6.13	-62.67
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254894	0	43	-1.0	-40.97	340.80	5.20	-35.77
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254894	1	43	-1.0	-40.99	340.86	5.21	-35.78
COCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254895	0	47	-1.0	-43.45	372.73	7.31	-36.14
COCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254895	1	47	-1.0	-43.42	372.75	7.30	-36.12
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020254896	0	49	-1.0	-40.11	365.12	8.46	-31.65
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020254896	1	49	-1.0	-40.15	365.18	8.47	-31.68
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020254897	0	46	-1.0	-43.89	342.57	7.65	-36.24
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020254897	1	46	-1.0	-43.89	342.63	7.68	-36.21
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020254898	0	53	-1.0	-42.36	394.39	10.55	-31.81
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020254898	1	53	-1.0	-42.37	394.44	10.55	-31.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020254899	0	46	0.0	-65.17	352.43	7.29	-57.88
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020254899	1	45	-1.0	-40.68	350.95	5.11	-35.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020254899	1	45	-1.0	-40.71	351.01	5.13	-35.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020254900	0	43	0.0	-61.95	330.93	6.50	-55.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020254900	1	43	0.0	-61.95	330.87	6.48	-55.47
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020254900	1	42	-1.0	-42.76	328.36	4.29	-38.47
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020254900	1	42	-1.0	-42.73	328.42	4.32	-38.41
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020254901	0	50	0.0	-71.40	384.37	9.38	-62.02
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020254901	1	49	-1.0	-43.00	381.84	7.20	-35.80
CN1C=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=N1	REAL300020254902	0	45	-1.0	-45.19	362.87	4.21	-40.98
CN1C=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=N1	REAL300020254902	1	45	-1.0	-45.17	362.81	4.20	-40.97
CN1C=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=N1	REAL300020254903	0	42	-1.0	-47.92	341.37	3.44	-44.48
CN1C=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=N1	REAL300020254903	1	42	-1.0	-47.88	341.32	3.41	-44.47
CN1C=C(N2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2)C=N1	REAL300020254904	0	49	-1.0	-47.61	393.71	6.28	-41.33
CN1C=C(N2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2)C=N1	REAL300020254904	1	49	-1.0	-47.63	393.65	6.29	-41.34
CC1CCC([NH+]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020254905	0	55	0.0	-66.61	396.13	8.72	-57.89
CC1CCC([NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020254905	1	55	0.0	-66.62	396.19	8.74	-57.88
CC1CCC([NH+]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020254906	0	52	0.0	-64.13	387.37	8.15	-55.98
CC1CCC([NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020254906	1	52	0.0	-64.13	387.42	8.17	-55.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020254907	0	45	-1.0	-40.92	372.05	6.43	-34.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020254907	1	45	-1.0	-40.92	372.11	6.45	-34.47
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020254908	0	42	-1.0	-45.07	351.63	5.98	-39.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020254908	1	42	-1.0	-45.04	351.69	6.00	-39.04
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)C(F)F)CC1	REAL300020254909	0	44	-1.0	-45.77	359.01	4.44	-41.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)C(F)F)CC1	REAL300020254909	1	44	-1.0	-45.80	359.07	4.46	-41.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)C(F)F)CC1	REAL300020254910	0	41	-1.0	-49.09	337.52	3.66	-45.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)C(F)F)CC1	REAL300020254910	1	41	-1.0	-49.11	337.58	3.68	-45.43
CCOCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254911	0	46	-1.0	-40.87	362.65	6.17	-34.70
CCOCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254911	1	46	-1.0	-40.90	362.71	6.18	-34.72
CCOCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254912	0	43	-1.0	-41.83	348.82	5.15	-36.68
CCOCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254912	1	43	-1.0	-41.86	348.88	5.18	-36.68
CCOCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254913	0	50	-1.0	-43.38	394.58	8.27	-35.11
CCOCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254913	1	50	-1.0	-43.34	394.60	8.26	-35.08
CN(CCNS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254914	0	40	-1.0	-49.30	348.31	0.10	-49.20
CN(CCNS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254914	1	40	-1.0	-49.27	348.37	0.11	-49.16
CN(CCNS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254915	0	37	-1.0	-51.09	327.84	-0.63	-51.72
CN(CCNS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254915	1	37	-1.0	-51.08	327.90	-0.61	-51.69
CN(CCNS(C)(=O)=O)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254916	0	44	-1.0	-51.85	380.50	2.22	-49.63
CN(CCNS(C)(=O)=O)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254916	1	44	-1.0	-51.80	380.53	2.21	-49.59
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020254917	0	49	-1.0	-41.24	381.85	9.46	-31.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020254917	1	49	-1.0	-41.25	381.90	9.47	-31.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020254918	0	46	-1.0	-45.18	354.31	8.72	-36.46
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020254918	1	46	-1.0	-45.22	354.36	8.74	-36.48
CCN1C=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=N1	REAL300020254919	0	42	-1.0	-43.08	347.07	5.78	-37.30
CCN1C=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=N1	REAL300020254919	1	42	-1.0	-43.07	347.01	5.76	-37.31
CCN1C=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=N1	REAL300020254920	0	39	-1.0	-45.15	326.50	5.04	-40.11
CCN1C=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=N1	REAL300020254920	1	39	-1.0	-45.13	326.44	5.02	-40.11
CCN1C=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=N1	REAL300020254921	0	46	-1.0	-45.48	378.88	7.88	-37.60
CCN1C=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=N1	REAL300020254921	1	46	-1.0	-45.52	378.85	7.89	-37.63
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020254922	0	46	-1.0	-43.42	355.56	9.00	-34.42
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020254922	1	46	-1.0	-43.49	355.35	8.97	-34.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020254923	0	46	-1.0	-42.09	378.79	9.03	-33.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020254923	1	46	-1.0	-42.09	378.84	9.05	-33.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020254924	0	43	-1.0	-43.71	354.69	8.16	-35.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020254924	1	43	-1.0	-43.75	354.75	8.19	-35.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020254925	0	41	-1.0	-43.01	332.82	4.90	-38.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020254925	1	41	-1.0	-43.03	332.88	4.92	-38.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020254926	0	38	-1.0	-44.36	311.33	4.12	-40.24
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020254926	1	38	-1.0	-44.35	311.38	4.14	-40.21
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020254927	0	45	-1.0	-45.46	363.52	6.97	-38.49
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020254927	1	45	-1.0	-45.54	363.61	6.98	-38.56
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020254928	0	43	-1.0	-47.41	355.41	4.65	-42.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020254928	1	43	-1.0	-47.40	355.35	4.63	-42.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020254929	0	40	-1.0	-46.59	339.11	4.47	-42.12
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020254929	1	40	-1.0	-46.61	339.05	4.44	-42.17
COC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254930	0	42	-1.0	-46.92	341.60	6.11	-40.81
COC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254930	1	42	-1.0	-46.92	341.66	6.12	-40.80
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020254931	0	39	-1.0	-49.84	321.11	5.35	-44.49
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020254931	1	39	-1.0	-49.84	321.17	5.37	-44.47
COC(=O)[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254932	0	46	-1.0	-48.56	375.29	8.13	-40.43
COC(=O)[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254932	1	46	-1.0	-48.58	375.32	8.12	-40.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020254933	0	47	-1.0	-41.72	375.77	7.09	-34.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020254933	1	47	-1.0	-41.74	375.83	7.11	-34.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020254934	0	44	-1.0	-43.42	355.28	6.33	-37.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020254934	1	44	-1.0	-43.40	355.34	6.36	-37.04
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020254935	0	50	-1.0	-41.96	408.22	8.45	-33.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020254935	1	50	-1.0	-41.97	408.28	8.46	-33.51
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020254936	0	47	-1.0	-44.17	385.67	7.63	-36.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020254936	1	47	-1.0	-44.17	385.73	7.66	-36.51
CC(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1=O	REAL300020254937	0	43	-1.0	-42.70	340.21	5.05	-37.65
CC(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1=O	REAL300020254937	1	43	-1.0	-42.73	340.26	5.07	-37.66
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1=O	REAL300020254938	0	40	-1.0	-44.13	318.71	4.27	-39.86
CC(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1=O	REAL300020254938	1	40	-1.0	-44.14	318.77	4.29	-39.85
CC(C)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1=O	REAL300020254939	0	47	-1.0	-45.18	371.31	7.14	-38.04
CC(C)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1=O	REAL300020254939	1	47	-1.0	-45.20	371.11	7.13	-38.07
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020254940	0	46	-1.0	-40.39	356.41	5.80	-34.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020254940	1	46	-1.0	-40.44	356.47	5.81	-34.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020254941	0	43	-1.0	-41.65	341.02	4.79	-36.86
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020254941	1	43	-1.0	-41.66	341.08	4.82	-36.84
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020254942	0	50	-1.0	-41.69	394.63	7.70	-33.99
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020254942	1	50	-1.0	-41.63	394.73	7.68	-33.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020254943	0	47	-1.0	-41.90	358.59	6.41	-35.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020254943	1	47	-1.0	-41.93	358.65	6.43	-35.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020254944	0	44	-1.0	-44.29	340.43	5.59	-38.70
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020254944	1	44	-1.0	-44.30	340.48	5.61	-38.69
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020254945	0	51	-1.0	-42.27	398.05	8.30	-33.97
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020254945	1	51	-1.0	-42.26	398.11	8.28	-33.98
COC(=O)CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020254946	0	43	-1.0	-44.01	360.39	5.14	-38.87
COC(=O)CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020254946	1	43	-1.0	-44.02	360.45	5.15	-38.87
COC(=O)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020254947	0	40	-1.0	-45.64	332.08	4.31	-41.33
COC(=O)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020254947	1	40	-1.0	-45.65	332.13	4.33	-41.32
COC(=O)CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020254948	0	47	-1.0	-46.87	389.62	7.22	-39.65
COC(=O)CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020254948	1	47	-1.0	-46.87	389.65	7.21	-39.66
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254949	0	46	-1.0	-40.59	373.61	8.61	-31.98
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254949	1	46	-1.0	-40.56	373.67	8.62	-31.94
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254950	0	43	-1.0	-42.35	353.58	7.89	-34.46
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254950	1	43	-1.0	-42.32	353.53	7.87	-34.45
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254951	0	50	-1.0	-43.60	401.40	11.04	-32.56
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254951	1	50	-1.0	-43.55	401.43	11.03	-32.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020254952	0	40	-1.0	-46.82	333.23	6.45	-40.37
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020254952	1	40	-1.0	-46.78	333.29	6.47	-40.31
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020254953	0	44	-1.0	-49.24	365.86	8.39	-40.85
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020254953	1	44	-1.0	-49.22	365.94	8.37	-40.85
CCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254954	0	45	-1.0	-39.83	345.45	7.12	-32.71
CCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254954	1	45	-1.0	-39.82	345.51	7.14	-32.68
CCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254955	0	49	-1.0	-42.72	371.59	9.38	-33.34
CCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254955	1	49	-1.0	-42.73	371.63	9.38	-33.35
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(S(=O)(=O)N2CCOCC2)C1	REAL300020254956	0	49	-1.0	-53.28	395.53	2.04	-51.24
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(S(=O)(=O)N2CCOCC2)C1	REAL300020254956	1	49	-1.0	-53.31	395.59	2.07	-51.24
CN(CCCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254957	0	45	-1.0	-40.71	372.68	8.52	-32.19
CN(CCCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254957	1	45	-1.0	-40.71	372.73	8.53	-32.18
CN(CCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254958	0	42	-1.0	-42.55	352.20	7.79	-34.76
CN(CCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254958	1	42	-1.0	-42.54	352.26	7.81	-34.73
CN(CCCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254959	0	49	-1.0	-42.72	404.85	10.63	-32.09
CN(CCCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254959	1	49	-1.0	-42.71	404.90	10.62	-32.09
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254960	0	42	-1.0	-43.53	341.59	6.14	-37.39
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254960	1	42	-1.0	-43.51	341.64	6.15	-37.36
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254961	0	39	-1.0	-43.53	327.24	5.33	-38.20
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254961	1	39	-1.0	-43.52	327.30	5.36	-38.16
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020254962	0	46	-1.0	-44.11	380.32	8.03	-36.08
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020254962	1	46	-1.0	-44.07	380.39	8.01	-36.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020254963	0	46	-1.0	-39.83	354.89	8.12	-31.71
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020254963	1	46	-1.0	-39.79	354.94	8.14	-31.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020254964	0	43	-1.0	-42.57	333.39	7.33	-35.24
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020254964	1	43	-1.0	-42.57	333.45	7.35	-35.22
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020254965	0	50	-1.0	-43.47	379.72	10.23	-33.24
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020254965	1	50	-1.0	-43.50	379.76	10.23	-33.27
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020254966	0	41	-1.0	-46.16	341.65	5.32	-40.84
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020254966	1	41	-1.0	-46.18	341.70	5.31	-40.87
CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020254967	0	43	-1.0	-41.50	347.97	5.22	-36.28
CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020254967	1	43	-1.0	-41.54	348.02	5.24	-36.30
CCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020254968	0	47	-1.0	-45.20	373.29	7.56	-37.64
CCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020254968	1	47	-1.0	-45.15	373.33	7.56	-37.59
COC1=CC=C(Cl)C=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254969	0	43	-1.0	-42.37	362.60	7.21	-35.16
COC1=CC=C(Cl)C=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254969	1	43	-1.0	-42.36	362.66	7.22	-35.14
COC1=CC=C(Cl)C=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254970	0	40	-1.0	-45.87	342.07	6.46	-39.41
COC1=CC=C(Cl)C=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254970	1	40	-1.0	-45.87	342.12	6.49	-39.38
CCC1=CC=C(C(=O)N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020254971	0	53	-1.0	-47.41	421.49	8.56	-38.85
CCC1=CC=C(C(=O)N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020254971	1	53	-1.0	-47.43	421.55	8.58	-38.85
CCC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020254972	0	50	-1.0	-49.30	400.00	7.78	-41.52
CCC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020254972	1	50	-1.0	-49.31	400.05	7.80	-41.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020254973	0	46	0.0	-65.48	362.86	7.32	-58.16
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020254973	1	46	0.0	-65.46	362.92	7.33	-58.13
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020254974	0	43	0.0	-67.44	335.06	6.76	-60.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020254974	1	43	0.0	-67.46	335.11	6.79	-60.67
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020254975	0	50	0.0	-71.05	393.83	9.43	-61.62
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020254975	1	50	0.0	-70.92	393.89	9.42	-61.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020254976	0	50	-1.0	-42.51	404.08	8.80	-33.71
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020254976	1	50	-1.0	-42.58	404.14	8.81	-33.77
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020254977	0	47	-1.0	-43.95	383.67	8.05	-35.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020254977	1	47	-1.0	-43.94	383.72	8.08	-35.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020254978	0	43	-1.0	-44.05	367.54	5.69	-38.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020254978	1	43	-1.0	-44.07	367.60	5.70	-38.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020254979	0	40	-1.0	-46.94	346.07	4.88	-42.06
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020254979	1	40	-1.0	-47.01	346.13	4.90	-42.11
CN(CC12CC3CC(CC(C3)C1)C2)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254980	0	53	-1.0	-42.48	380.29	8.55	-33.93
CN(CC12CC3CC(CC(C3)C1)C2)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254980	1	53	-1.0	-42.51	380.34	8.56	-33.95
CN(CC12CC3CC(CC(C3)C1)C2)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254981	0	50	-1.0	-43.25	362.80	7.72	-35.53
CN(CC12CC3CC(CC(C3)C1)C2)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254981	1	50	-1.0	-43.31	362.87	7.74	-35.57
CC1=NOC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254982	0	41	-1.0	-41.24	334.63	5.69	-35.55
CC1=NOC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254982	1	41	-1.0	-41.27	334.68	5.71	-35.56
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254983	0	38	-1.0	-43.02	314.14	4.97	-38.05
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254983	1	38	-1.0	-43.01	314.08	4.94	-38.07
CC1=NOC(C)=C1CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254984	0	45	-1.0	-44.16	366.47	7.82	-36.34
CC1=NOC(C)=C1CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254984	1	45	-1.0	-44.18	366.49	7.81	-36.37
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020254985	0	41	-1.0	-47.21	351.66	7.84	-39.37
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020254985	1	41	-1.0	-47.22	351.72	7.86	-39.36
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020254986	0	38	-1.0	-57.32	324.63	7.32	-50.00
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020254986	1	38	-1.0	-57.30	324.57	7.29	-50.01
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020254987	0	45	-1.0	-52.68	376.91	10.16	-42.52
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020254987	1	45	-1.0	-52.69	376.93	10.14	-42.55
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020254988	0	45	-1.0	-43.26	376.86	7.79	-35.47
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020254988	1	45	-1.0	-43.26	376.92	7.81	-35.45
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020254989	0	42	-1.0	-45.54	356.32	7.05	-38.49
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020254989	1	42	-1.0	-45.57	356.36	7.07	-38.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(S(=O)(=O)NC2CCCC2)C1	REAL300020254990	0	51	-1.0	-54.18	409.62	3.67	-50.51
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(S(=O)(=O)NC2CCCC2)C1	REAL300020254990	1	51	-1.0	-54.20	409.68	3.69	-50.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCCO2)CC1	REAL300020254991	0	54	-1.0	-42.45	416.57	6.79	-35.66
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCCO2)CC1	REAL300020254991	1	54	-1.0	-42.51	416.63	6.81	-35.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCCO2)CC1	REAL300020254992	0	51	-1.0	-44.64	401.19	5.97	-38.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCCO2)CC1	REAL300020254992	1	51	-1.0	-44.62	401.25	5.99	-38.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCCC2=CC=CC=C2)C1	REAL300020254993	0	53	-1.0	-42.44	426.37	9.22	-33.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCCC2=CC=CC=C2)C1	REAL300020254993	1	53	-1.0	-42.45	426.43	9.23	-33.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCCC2=CC=CC=C2)C1	REAL300020254994	0	50	-1.0	-45.94	407.69	8.52	-37.42
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCCC2=CC=CC=C2)C1	REAL300020254994	1	50	-1.0	-45.96	407.75	8.55	-37.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(Cl)C(Cl)=C2)C1	REAL300020254995	0	41	-1.0	-45.05	362.10	6.66	-38.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(Cl)C(Cl)=C2)C1	REAL300020254995	1	41	-1.0	-45.05	362.16	6.69	-38.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020254996	0	47	-1.0	-42.07	380.64	7.87	-34.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020254996	1	47	-1.0	-42.09	380.70	7.89	-34.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020254997	0	44	-1.0	-44.66	360.25	7.12	-37.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020254997	1	44	-1.0	-44.68	360.30	7.14	-37.54
COC1=CC=CC=C1COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020254998	0	54	-1.0	-42.83	427.97	8.05	-34.78
COC1=CC=CC=C1COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020254998	1	54	-1.0	-42.87	428.03	8.07	-34.80
COC1=CC=CC=C1COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020254999	0	51	-1.0	-44.43	406.47	7.26	-37.17
COC1=CC=CC=C1COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020254999	1	51	-1.0	-44.51	406.53	7.28	-37.23
CC(C(=O)N1CCCC1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255000	0	55	-1.0	-47.48	415.43	4.89	-42.59
CC(C(=O)N1CCCC1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255000	1	55	-1.0	-47.45	415.49	4.91	-42.54
CC(C(=O)N1CCCC1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255001	0	52	-1.0	-49.16	393.94	4.11	-45.05
CC(C(=O)N1CCCC1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255001	1	52	-1.0	-49.19	394.00	4.13	-45.06
CCS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255002	0	45	-1.0	-50.79	367.72	3.70	-47.09
CCS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255002	1	45	-1.0	-50.78	367.77	3.72	-47.06
CCS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255003	0	42	-1.0	-50.60	353.39	2.91	-47.69
CCS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255003	1	42	-1.0	-50.62	353.43	2.92	-47.70
CN(CCC1=NC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255004	0	38	-1.0	-42.80	335.97	4.85	-37.95
CN(CCC1=NC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255004	1	38	-1.0	-42.77	336.03	4.87	-37.90
CN(CCC1=NC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255005	0	35	-1.0	-44.65	315.49	4.12	-40.53
CN(CCC1=NC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255005	1	35	-1.0	-44.64	315.55	4.14	-40.50
CN(CCC1=NC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255006	0	42	-1.0	-45.08	368.02	6.97	-38.11
CN(CCC1=NC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255006	1	42	-1.0	-44.98	368.07	6.97	-38.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC=C2F)CC1	REAL300020255007	0	50	-1.0	-43.29	393.56	6.54	-36.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC=C2F)CC1	REAL300020255007	1	50	-1.0	-43.29	393.62	6.56	-36.73
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC=C2F)CC1	REAL300020255008	0	47	-1.0	-46.14	372.10	5.76	-40.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC=C2F)CC1	REAL300020255008	1	47	-1.0	-46.14	372.16	5.78	-40.36
CN(CCC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255009	0	42	-1.0	-42.86	362.17	8.53	-34.33
CN(CCC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255009	1	42	-1.0	-42.86	362.23	8.55	-34.31
CN(CCC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255010	0	39	-1.0	-42.92	347.43	7.53	-35.39
CN(CCC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255010	1	39	-1.0	-42.94	347.49	7.55	-35.39
CN(CCC1=CC=C(Cl)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255011	0	46	-1.0	-43.78	400.09	10.37	-33.41
CN(CCC1=CC=C(Cl)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255011	1	46	-1.0	-43.75	400.14	10.36	-33.39
CC1CCCC[N@@H+]1CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255012	0	61	0.0	-66.08	450.07	10.19	-55.89
CC1CCCC[N@H+]1CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255012	1	61	0.0	-68.43	443.48	10.45	-57.98
CC1CCCC[N@@H+]1CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255012	1	61	0.0	-66.14	450.13	10.20	-55.94
CC1CCCC[N@H+]1CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255012	1	61	0.0	-68.42	443.54	10.46	-57.96
CC1CCCC[N@@H+]1CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255013	0	58	0.0	-68.05	414.13	9.31	-58.74
CC1CCCC[N@H+]1CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255013	1	58	0.0	-70.18	421.99	9.66	-60.52
CC1CCCC[N@@H+]1CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255013	1	58	0.0	-68.08	414.19	9.34	-58.74
CC1CCCC[N@H+]1CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255013	1	58	0.0	-70.17	422.05	9.69	-60.48
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2Cl)CC1	REAL300020255014	0	46	-1.0	-44.72	397.27	7.78	-36.94
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2Cl)CC1	REAL300020255014	1	46	-1.0	-44.76	397.33	7.79	-36.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2Cl)CC1	REAL300020255015	0	43	-1.0	-46.93	374.69	6.96	-39.97
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2Cl)CC1	REAL300020255015	1	43	-1.0	-46.91	374.75	6.98	-39.93
CCOC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255016	0	48	-1.0	-41.46	383.94	7.32	-34.14
CCOC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255016	1	48	-1.0	-41.47	384.00	7.33	-34.14
CCOC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255017	0	45	-1.0	-42.37	362.43	6.53	-35.84
CCOC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255017	1	45	-1.0	-42.36	362.49	6.56	-35.80
CCOC(=O)C1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255018	0	52	-1.0	-45.65	408.70	9.46	-36.19
CCOC(=O)C1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255018	1	52	-1.0	-45.69	408.73	9.45	-36.24
COC1=CC=C(Br)C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020255019	0	40	-1.0	-46.23	350.88	6.37	-39.86
COC1=CC=C(Br)C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020255019	1	40	-1.0	-46.28	350.94	6.40	-39.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300020255020	0	56	0.0	-73.06	427.61	10.11	-62.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300020255020	1	56	0.0	-64.69	428.69	10.11	-54.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300020255020	1	56	0.0	-73.11	427.67	10.13	-62.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300020255020	1	56	0.0	-64.65	428.75	10.13	-54.52
CC(C)[NH+]1CCC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255021	0	60	0.0	-65.37	436.28	6.91	-58.46
CC(C)[NH+]1CCC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255021	1	60	0.0	-65.37	436.33	6.93	-58.44
CC(C)[NH+]1CCC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255022	0	57	0.0	-69.06	409.33	6.19	-62.87
CC(C)[NH+]1CCC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255022	1	57	0.0	-69.06	409.38	6.21	-62.85
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255023	0	60	0.0	-64.39	438.88	7.09	-57.30
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255023	1	60	0.0	-64.46	438.94	7.11	-57.35
CC(C)N1CC[NH+](C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255023	1	60	0.0	-66.97	436.26	6.90	-60.07
CC(C)N1CC[NH+](C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255023	1	60	0.0	-66.94	436.31	6.92	-60.02
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255024	0	57	0.0	-66.02	417.76	6.32	-59.70
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255024	1	57	0.0	-66.05	417.82	6.35	-59.70
CC(C)N1CC[NH+](C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255024	1	57	0.0	-67.01	414.76	6.11	-60.90
CC(C)N1CC[NH+](C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255024	1	57	0.0	-67.04	414.82	6.13	-60.91
CC[N@H+](CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1)CC(C)C	REAL300020255025	0	63	0.0	-69.36	453.93	10.59	-58.77
CC[N@@H+](CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1)CC(C)C	REAL300020255025	1	63	0.0	-68.94	458.58	10.85	-58.09
CC[N@H+](CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1)CC(C)C	REAL300020255025	1	63	0.0	-69.31	453.98	10.61	-58.70
CC[N@@H+](CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1)CC(C)C	REAL300020255025	1	63	0.0	-68.97	458.64	10.87	-58.10
CC[N@H+](CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1)CC(C)C	REAL300020255026	0	60	0.0	-68.65	436.65	10.04	-58.61
CC[N@@H+](CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1)CC(C)C	REAL300020255026	1	60	0.0	-68.36	437.09	10.06	-58.30
CC[N@H+](CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1)CC(C)C	REAL300020255026	1	60	0.0	-68.63	436.71	10.07	-58.56
CC[N@@H+](CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1)CC(C)C	REAL300020255026	1	60	0.0	-68.38	437.15	10.08	-58.30
CC(C)OC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020255027	0	49	-1.0	-41.78	391.35	7.98	-33.80
CC(C)OC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020255027	1	49	-1.0	-41.81	391.41	7.99	-33.82
CC(C)OC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020255028	0	46	-1.0	-44.45	370.79	7.23	-37.22
CC(C)OC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020255028	1	46	-1.0	-44.43	370.87	7.25	-37.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020255029	0	40	-1.0	-42.24	343.07	7.64	-34.60
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020255029	1	40	-1.0	-42.24	343.13	7.66	-34.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020255030	0	37	-1.0	-45.43	321.63	6.88	-38.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020255030	1	37	-1.0	-45.39	321.57	6.86	-38.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020255031	0	44	-1.0	-44.44	374.05	9.71	-34.73
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020255031	1	44	-1.0	-44.40	374.08	9.70	-34.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020255032	0	44	-1.0	-43.06	370.48	7.05	-36.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020255032	1	44	-1.0	-43.02	370.54	7.06	-35.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020255033	0	41	-1.0	-43.79	347.88	6.21	-37.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020255033	1	41	-1.0	-43.78	347.93	6.24	-37.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2C(F)(F)F)C1	REAL300020255034	0	44	-1.0	-45.95	363.40	6.77	-39.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2C(F)(F)F)C1	REAL300020255034	1	44	-1.0	-45.95	363.45	6.79	-39.16
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(OC(F)F)=C2)C1	REAL300020255035	0	45	-1.0	-47.47	381.66	5.65	-41.82
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(OC(F)F)=C2)C1	REAL300020255035	1	45	-1.0	-47.48	381.72	5.67	-41.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020255036	0	44	-1.0	-44.36	381.10	7.08	-37.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020255036	1	44	-1.0	-44.35	381.16	7.10	-37.25
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2Cl)CC1	REAL300020255037	0	45	-1.0	-42.15	382.98	7.46	-34.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2Cl)CC1	REAL300020255037	1	45	-1.0	-42.16	383.04	7.48	-34.68
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2Cl)CC1	REAL300020255038	0	42	-1.0	-43.90	361.39	6.67	-37.23
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2Cl)CC1	REAL300020255038	1	42	-1.0	-43.91	361.44	6.69	-37.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(Cl)C=CC=C2Cl)CC1	REAL300020255039	0	42	-1.0	-45.18	362.90	6.83	-38.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(Cl)C=CC=C2Cl)CC1	REAL300020255039	1	42	-1.0	-45.18	362.95	6.86	-38.32
COC1=CC=CC(F)=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255040	0	49	-1.0	-44.56	392.09	5.97	-38.59
COC1=CC=CC(F)=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255040	1	49	-1.0	-44.60	392.14	5.99	-38.61
COC1=CC=CC(F)=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255041	0	46	-1.0	-47.59	370.58	5.19	-42.40
COC1=CC=CC(F)=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255041	1	46	-1.0	-47.60	370.64	5.21	-42.39
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2Cl)C1	REAL300020255042	0	47	-1.0	-45.58	390.35	8.49	-37.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2Cl)C1	REAL300020255042	1	47	-1.0	-45.62	390.40	8.51	-37.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2Cl)C1	REAL300020255043	0	44	-1.0	-48.34	368.87	7.69	-40.65
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2Cl)C1	REAL300020255043	1	44	-1.0	-48.33	368.93	7.71	-40.62
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020255044	0	44	-1.0	-41.95	338.00	5.03	-36.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020255044	1	44	-1.0	-41.94	338.06	5.04	-36.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020255045	0	41	-1.0	-45.10	311.54	3.69	-41.41
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020255045	1	41	-1.0	-45.09	311.60	3.71	-41.38
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020255046	0	48	-1.0	-42.70	374.69	7.12	-35.58
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020255046	1	48	-1.0	-42.69	374.75	7.09	-35.60
CN(CC1=CC=C(Br)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255047	0	36	-1.0	-42.31	336.74	7.57	-34.74
CN(CC1=CC=C(Br)C=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255047	1	36	-1.0	-42.31	336.80	7.60	-34.71
CN(CCN1CCOC(C)(C)C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255048	0	51	-1.0	-41.96	388.47	4.21	-37.75
CN(CCN1CCOC(C)(C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255048	1	51	-1.0	-41.97	388.53	4.22	-37.75
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255048	1	52	0.0	-65.00	395.76	6.02	-58.98
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255048	1	52	0.0	-65.58	396.73	6.07	-59.51
CN(CCN1CCOC(C)(C)C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255049	0	48	-1.0	-42.19	373.61	3.19	-39.00
CN(CCN1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255049	1	48	-1.0	-42.19	373.67	3.21	-38.98
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255049	1	49	0.0	-65.07	375.28	5.31	-59.76
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255049	1	49	0.0	-63.74	368.54	5.55	-58.19
CN(CCN1CCOC(C)(C)C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255050	0	55	-1.0	-43.62	421.75	6.19	-37.43
CN(CCN1CCOC(C)(C)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255050	1	55	-1.0	-43.59	421.79	6.19	-37.40
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255050	1	56	0.0	-70.28	423.18	8.27	-62.01
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255050	1	56	0.0	-71.10	420.81	8.39	-62.71
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1N1CCOCC1	REAL300020255051	0	49	-1.0	-41.06	379.84	3.41	-37.65
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1N1CCOCC1	REAL300020255051	1	49	-1.0	-41.10	379.90	3.42	-37.68
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1[NH+]1CCOCC1	REAL300020255051	1	50	0.0	-63.93	373.74	5.65	-58.28
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1N1CCOCC1	REAL300020255052	0	46	-1.0	-43.17	359.40	2.65	-40.52
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1N1CCOCC1	REAL300020255052	1	46	-1.0	-43.14	359.46	2.67	-40.47
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1[NH+]1CCOCC1	REAL300020255052	1	47	0.0	-64.87	350.93	4.81	-60.06
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1N1CCOCC1	REAL300020255053	0	53	-1.0	-44.31	407.97	5.52	-38.79
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1N1CCOCC1	REAL300020255053	1	53	-1.0	-44.32	408.01	5.52	-38.80
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1[NH+]1CCOCC1	REAL300020255053	1	54	0.0	-69.54	404.54	7.74	-61.80
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)CC1	REAL300020255054	0	57	0.0	-63.61	417.24	6.18	-57.43
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)CC1	REAL300020255054	1	57	0.0	-63.63	417.30	6.19	-57.44
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)CC1	REAL300020255055	0	54	0.0	-62.11	397.99	5.36	-56.75
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)CC1	REAL300020255055	1	54	0.0	-62.12	398.04	5.38	-56.74
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCS1	REAL300020255056	0	43	-1.0	-40.06	340.85	7.13	-32.93
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCS1	REAL300020255056	1	43	-1.0	-40.03	340.90	7.14	-32.89
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCS1	REAL300020255057	0	40	-1.0	-41.31	328.74	6.25	-35.06
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCS1	REAL300020255057	1	40	-1.0	-41.28	328.80	6.27	-35.01
CC(C)C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCS1	REAL300020255058	0	47	-1.0	-42.70	372.83	9.24	-33.46
CC(C)C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCS1	REAL300020255058	1	47	-1.0	-42.66	372.86	9.23	-33.43
CN1C=C(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=N1	REAL300020255059	0	46	-1.0	-46.77	372.47	6.78	-39.99
CN1C=C(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=N1	REAL300020255059	1	46	-1.0	-46.78	372.41	6.76	-40.02
CN1C=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=N1	REAL300020255060	0	43	-1.0	-49.46	352.67	6.04	-43.42
CN1C=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=N1	REAL300020255060	1	43	-1.0	-49.48	352.62	6.02	-43.46
CN1C=C(CC2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C2)C=N1	REAL300020255061	0	50	-1.0	-46.62	405.10	8.78	-37.84
CN1C=C(CC2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C2)C=N1	REAL300020255061	1	50	-1.0	-46.61	405.06	8.79	-37.82
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCC1C1=CC=CC=C1	REAL300020255062	0	52	-1.0	-39.90	399.45	10.00	-29.90
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCC1C1=CC=CC=C1	REAL300020255062	1	52	-1.0	-39.91	399.50	10.02	-29.89
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCC1C1=CC=CC=C1	REAL300020255063	0	49	-1.0	-42.78	377.03	9.17	-33.61
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCC1C1=CC=CC=C1	REAL300020255063	1	49	-1.0	-42.83	377.09	9.19	-33.64
CC(N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1)C(F)(F)F	REAL300020255064	0	44	-1.0	-42.24	360.26	4.67	-37.57
CC(N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1)C(F)(F)F	REAL300020255064	1	44	-1.0	-42.23	360.32	4.69	-37.54
CC(N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1)C(F)(F)F	REAL300020255065	0	41	-1.0	-44.75	325.95	3.38	-41.37
CC(N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1)C(F)(F)F	REAL300020255065	1	41	-1.0	-44.75	326.01	3.40	-41.35
CC(C)COC(C)C1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=N1	REAL300020255066	0	53	-1.0	-41.88	432.48	5.05	-36.83
CC(C)COC(C)C1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=N1	REAL300020255066	1	53	-1.0	-41.91	432.54	5.07	-36.84
CC(C)COC(C)C1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=N1	REAL300020255067	0	50	-1.0	-44.47	411.94	4.30	-40.17
CC(C)COC(C)C1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=N1	REAL300020255067	1	50	-1.0	-44.47	411.99	4.33	-40.14
CC(C)OCCS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255068	0	51	-1.0	-50.89	418.15	2.90	-47.99
CC(C)OCCS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255068	1	51	-1.0	-50.88	418.20	2.93	-47.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020255069	0	44	-1.0	-48.35	364.22	2.63	-45.72
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020255069	1	44	-1.0	-48.38	364.27	2.65	-45.73
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020255070	0	41	-1.0	-52.47	337.72	1.92	-50.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020255070	1	41	-1.0	-52.45	337.77	1.94	-50.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020255071	0	48	-1.0	-49.95	396.85	4.57	-45.38
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020255071	1	48	-1.0	-49.91	396.91	4.55	-45.36
COC(=O)C1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255072	0	39	-1.0	-44.83	331.15	5.31	-39.52
COC(=O)C1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255072	1	39	-1.0	-44.88	331.21	5.33	-39.55
COC(=O)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255073	0	36	-1.0	-48.11	305.80	4.41	-43.70
COC(=O)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255073	1	36	-1.0	-48.13	305.86	4.44	-43.69
COC(=O)C1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255074	0	43	-1.0	-47.25	362.03	7.38	-39.87
COC(=O)C1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255074	1	43	-1.0	-47.26	362.05	7.37	-39.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)N2CCCC2)CC1	REAL300020255075	0	51	-1.0	-44.46	400.64	4.97	-39.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)N2CCCC2)CC1	REAL300020255075	1	51	-1.0	-44.48	400.70	4.98	-39.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)N2CCCC2)CC1	REAL300020255076	0	48	-1.0	-46.70	379.15	4.18	-42.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)N2CCCC2)CC1	REAL300020255076	1	48	-1.0	-46.72	379.21	4.21	-42.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020255077	0	47	-1.0	-40.17	361.15	6.44	-33.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020255077	1	47	-1.0	-40.16	361.21	6.46	-33.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020255078	0	44	-1.0	-42.08	340.06	5.90	-36.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020255078	1	44	-1.0	-42.10	340.11	5.93	-36.17
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020255079	0	51	-1.0	-43.61	386.75	8.78	-34.83
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020255079	1	51	-1.0	-43.56	386.78	8.77	-34.79
CC(C)C1=CC=C(OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255080	0	56	-1.0	-41.09	433.43	9.85	-31.24
CC(C)C1=CC=C(OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255080	1	56	-1.0	-41.10	433.48	9.86	-31.24
CC(C)C1=CC=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255081	0	53	-1.0	-42.38	411.93	9.06	-33.32
CC(C)C1=CC=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255081	1	53	-1.0	-42.40	411.99	9.08	-33.32
CN(CC1=CC=CC=C1)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255082	0	52	-1.0	-49.34	409.29	7.87	-41.47
CN(CC1=CC=CC=C1)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255082	1	52	-1.0	-49.35	409.35	7.89	-41.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020255083	0	47	-1.0	-42.43	380.09	9.63	-32.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020255083	1	47	-1.0	-42.47	380.15	9.65	-32.82
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020255084	0	44	-1.0	-44.35	357.50	8.80	-35.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020255084	1	44	-1.0	-44.36	357.56	8.83	-35.53
COC1=CC(C(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=CC=C1C	REAL300020255085	0	51	-1.0	-48.29	405.68	6.33	-41.96
COC1=CC(C(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=CC=C1C	REAL300020255085	1	51	-1.0	-48.28	405.74	6.35	-41.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020255086	0	49	-1.0	-43.05	397.81	9.74	-33.31
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020255086	1	49	-1.0	-43.05	397.87	9.75	-33.30
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020255087	0	46	-1.0	-45.56	376.31	8.95	-36.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020255087	1	46	-1.0	-45.55	376.37	8.98	-36.57
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020255088	0	41	-1.0	-42.93	337.50	5.68	-37.25
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020255088	1	41	-1.0	-42.92	337.53	5.67	-37.25
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C(N)=O)C2=CC=CC=C2)CC1	REAL300020255089	0	52	-1.0	-47.54	418.34	3.78	-43.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C(N)=O)C2=CC=CC=C2)CC1	REAL300020255089	1	52	-1.0	-47.51	418.40	3.79	-43.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C(N)=O)C2=CC=CC=C2)CC1	REAL300020255090	0	49	-1.0	-50.06	394.22	2.91	-47.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C(N)=O)C2=CC=CC=C2)CC1	REAL300020255090	1	49	-1.0	-50.05	394.28	2.94	-47.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020255091	0	50	-1.0	-43.54	396.96	6.17	-37.37
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020255091	1	50	-1.0	-43.58	397.02	6.18	-37.40
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020255092	0	47	-1.0	-46.33	369.33	5.46	-40.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020255092	1	47	-1.0	-46.43	369.39	5.48	-40.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020255093	0	49	-1.0	-46.64	391.89	7.76	-38.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020255093	1	49	-1.0	-46.62	391.94	7.78	-38.84
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020255094	0	46	-1.0	-48.72	371.49	7.00	-41.72
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020255094	1	46	-1.0	-48.74	371.55	7.03	-41.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020255095	0	49	-1.0	-46.54	398.51	7.50	-39.04
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020255095	1	49	-1.0	-46.60	398.56	7.51	-39.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020255096	0	46	-1.0	-52.88	371.48	7.00	-45.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020255096	1	46	-1.0	-52.87	371.54	7.02	-45.85
CC1=NC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)S1	REAL300020255097	0	38	-1.0	-41.56	329.35	5.08	-36.48
CC1=NC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)S1	REAL300020255097	1	38	-1.0	-41.55	329.41	5.10	-36.45
CC1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)S1	REAL300020255098	0	35	-1.0	-44.20	308.86	4.36	-39.84
CC1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)S1	REAL300020255098	1	35	-1.0	-44.20	308.81	4.33	-39.87
CC1=NC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)S1	REAL300020255099	0	42	-1.0	-44.45	360.87	7.26	-37.19
CC1=NC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)S1	REAL300020255099	1	42	-1.0	-44.41	360.92	7.25	-37.16
CN(CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1)C(=O)OC(C)(C)C	REAL300020255100	0	56	-1.0	-45.48	427.39	7.51	-37.97
CN(CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1)C(=O)OC(C)(C)C	REAL300020255100	1	56	-1.0	-45.51	427.44	7.54	-37.97
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255101	0	40	-1.0	-43.63	326.46	7.88	-35.75
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255101	1	40	-1.0	-43.57	326.49	7.87	-35.70
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1F	REAL300020255102	0	50	-1.0	-45.02	405.37	7.83	-37.19
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1F	REAL300020255102	1	50	-1.0	-45.02	405.42	7.85	-37.17
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1F	REAL300020255103	0	47	-1.0	-46.60	383.87	7.05	-39.55
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1F	REAL300020255103	1	47	-1.0	-46.59	383.93	7.07	-39.52
CC1=CC=CC(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020255104	0	46	-1.0	-40.82	383.50	7.05	-33.77
CC1=CC=CC(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020255104	1	46	-1.0	-40.80	383.56	7.06	-33.74
CC1=CC=CC(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020255105	0	43	-1.0	-43.60	360.31	6.55	-37.05
CC1=CC=CC(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020255105	1	43	-1.0	-43.59	360.37	6.57	-37.02
CC1=CC=CC(OCCN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020255106	0	50	-1.0	-44.62	408.72	9.37	-35.25
CC1=CC=CC(OCCN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020255106	1	50	-1.0	-44.66	408.76	9.36	-35.30
CC1CCN(C(=O)C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255107	0	56	-1.0	-44.43	424.55	8.14	-36.29
CC1CCN(C(=O)C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255107	1	56	-1.0	-44.41	424.61	8.16	-36.25
CC1CCN(C(=O)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CC1	REAL300020255108	0	53	-1.0	-48.14	404.15	7.38	-40.76
CC1CCN(C(=O)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CC1	REAL300020255108	1	53	-1.0	-48.17	404.21	7.41	-40.76
CCCCN(C)C(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255109	0	55	-1.0	-46.45	422.32	7.88	-38.57
CCCCN(C)C(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255109	1	55	-1.0	-46.47	422.38	7.89	-38.58
CCCCN(C)C(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255110	0	52	-1.0	-46.42	407.98	7.07	-39.35
CCCCN(C)C(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255110	1	52	-1.0	-46.40	408.04	7.10	-39.30
CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255111	0	39	-1.0	-43.77	329.39	7.19	-36.58
CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255111	1	39	-1.0	-43.79	329.45	7.21	-36.58
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255112	0	36	-1.0	-48.49	308.90	6.47	-42.02
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255112	1	36	-1.0	-48.50	308.84	6.45	-42.05
CN(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255113	0	43	-1.0	-46.23	361.24	9.32	-36.91
CN(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255113	1	43	-1.0	-46.19	361.26	9.31	-36.88
COC1=CC=C(CCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020255114	0	49	-1.0	-41.96	403.27	7.85	-34.11
COC1=CC=C(CCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020255114	1	49	-1.0	-41.97	403.33	7.87	-34.10
COC1=CC=C(CCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020255115	0	46	-1.0	-43.91	381.71	7.09	-36.82
COC1=CC=C(CCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020255115	1	46	-1.0	-43.90	381.77	7.11	-36.79
CN(CCCOC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255116	0	46	-1.0	-41.06	397.89	7.84	-33.22
CN(CCCOC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255116	1	46	-1.0	-41.05	397.94	7.86	-33.19
CN(CCCOC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255117	0	43	-1.0	-42.97	377.41	7.11	-35.86
CN(CCCOC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255117	1	43	-1.0	-42.96	377.47	7.14	-35.82
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255118	0	49	-1.0	-41.55	402.30	8.11	-33.44
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255118	1	49	-1.0	-41.55	402.36	8.13	-33.42
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255119	0	46	-1.0	-45.58	373.95	7.57	-38.01
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255119	1	46	-1.0	-45.62	374.01	7.59	-38.03
CN(CCCOC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255120	0	46	-1.0	-40.85	397.88	7.84	-33.01
CN(CCCOC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255120	1	46	-1.0	-40.87	397.94	7.86	-33.01
CN(CCCOC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255121	0	43	-1.0	-42.54	377.41	7.11	-35.43
CN(CCCOC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255121	1	43	-1.0	-42.55	377.46	7.14	-35.41
CC1=CC(C(=O)N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C(C)O1	REAL300020255122	0	50	-1.0	-47.07	403.30	6.85	-40.22
CC1=CC(C(=O)N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C(C)O1	REAL300020255122	1	50	-1.0	-47.09	403.36	6.87	-40.22
CC1=CC(C(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C(C)O1	REAL300020255123	0	47	-1.0	-49.01	381.81	6.07	-42.94
CC1=CC(C(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C(C)O1	REAL300020255123	1	47	-1.0	-49.06	381.87	6.09	-42.97
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255124	0	54	0.0	-67.47	396.80	8.64	-58.83
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255124	1	54	0.0	-68.42	396.83	8.64	-59.78
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255124	1	54	0.0	-67.49	396.86	8.65	-58.84
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255124	1	54	0.0	-68.43	396.89	8.65	-59.78
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255125	0	51	0.0	-66.87	375.30	7.85	-59.02
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255125	1	51	0.0	-70.61	376.43	7.88	-62.73
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255125	1	51	0.0	-66.89	375.36	7.87	-59.02
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255125	1	51	0.0	-70.60	376.49	7.91	-62.69
CC(C)[N@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255126	0	58	0.0	-73.21	429.05	10.76	-62.45
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255126	1	58	0.0	-73.62	426.60	10.51	-63.11
CC(C)[N@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255126	1	58	0.0	-73.18	429.09	10.74	-62.44
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255126	1	58	0.0	-73.57	426.63	10.51	-63.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020255127	0	44	-1.0	-45.75	369.14	6.08	-39.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020255127	1	44	-1.0	-45.79	369.19	6.10	-39.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020255128	0	41	-1.0	-47.06	347.64	5.30	-41.76
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020255128	1	41	-1.0	-47.04	347.70	5.32	-41.72
CC1=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C2=CC=CC=C2N1	REAL300020255129	0	53	-1.0	-43.30	413.30	9.43	-33.87
CC1=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C2=CC=CC=C2N1	REAL300020255129	1	53	-1.0	-43.32	413.36	9.44	-33.88
CC1=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C2=CC=CC=C2N1	REAL300020255130	0	50	-1.0	-44.70	391.80	8.63	-36.07
CC1=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C2=CC=CC=C2N1	REAL300020255130	1	50	-1.0	-44.69	391.86	8.66	-36.03
CC(C)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255131	0	45	-1.0	-41.81	362.52	8.11	-33.70
CC(C)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255131	1	45	-1.0	-41.75	362.56	8.10	-33.65
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255132	0	39	-1.0	-47.47	322.67	5.17	-42.30
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255132	1	39	-1.0	-47.47	322.73	5.19	-42.28
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255133	0	43	-1.0	-49.42	355.10	7.27	-42.15
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255133	1	43	-1.0	-49.37	355.13	7.27	-42.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCC2=CC=CC=C2)CC1	REAL300020255134	0	53	-1.0	-41.49	422.79	9.30	-32.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCC2=CC=CC=C2)CC1	REAL300020255134	1	53	-1.0	-41.49	422.85	9.32	-32.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCC2=CC=CC=C2)CC1	REAL300020255135	0	50	-1.0	-42.14	408.44	8.50	-33.64
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCC2=CC=CC=C2)CC1	REAL300020255135	1	50	-1.0	-42.18	408.50	8.52	-33.66
COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255136	0	41	-1.0	-45.30	335.94	4.23	-41.07
COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255136	1	41	-1.0	-45.28	335.99	4.24	-41.04
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255137	0	38	-1.0	-47.16	314.45	3.44	-43.72
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255137	1	38	-1.0	-47.15	314.50	3.47	-43.68
COC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255138	0	45	-1.0	-48.10	366.81	6.31	-41.79
COC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255138	1	45	-1.0	-48.10	366.85	6.31	-41.79
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255139	0	45	-1.0	-42.52	351.01	8.40	-34.12
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255139	1	45	-1.0	-42.52	351.04	8.39	-34.13
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020255140	0	54	0.0	-68.49	400.69	8.38	-60.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020255140	1	54	0.0	-68.50	400.74	8.39	-60.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020255141	0	51	0.0	-68.49	380.29	7.63	-60.86
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020255141	1	51	0.0	-68.48	380.35	7.65	-60.83
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020255142	0	58	0.0	-72.04	439.07	10.30	-61.74
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020255142	1	58	0.0	-71.99	439.13	10.29	-61.70
CN(CC1=CSC(Br)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255143	0	36	-1.0	-40.46	334.04	6.87	-33.59
CN(CC1=CSC(Br)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255143	1	36	-1.0	-40.45	334.10	6.88	-33.57
CN(CC1=CSC(Br)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255144	0	33	-1.0	-43.79	313.48	6.12	-37.67
CN(CC1=CSC(Br)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255144	1	33	-1.0	-43.81	313.54	6.15	-37.66
CN1N=CC=C1C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255145	0	46	-1.0	-44.06	373.55	6.50	-37.56
CN1N=CC=C1C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255145	1	46	-1.0	-44.06	373.61	6.51	-37.55
CN1N=CC=C1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255146	0	43	-1.0	-46.73	352.05	5.71	-41.02
CN1N=CC=C1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255146	1	43	-1.0	-46.73	352.11	5.74	-40.99
CN1N=CC=C1C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255147	0	50	-1.0	-47.95	397.53	8.61	-39.34
CN1N=CC=C1C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255147	1	50	-1.0	-47.92	397.56	8.60	-39.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CCC2CCCCC2)CC1	REAL300020255148	0	56	-1.0	-49.42	424.30	8.35	-41.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CCC2CCCCC2)CC1	REAL300020255148	1	56	-1.0	-49.44	424.36	8.38	-41.06
COCCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255149	0	47	-1.0	-44.60	376.08	4.75	-39.85
COCCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255149	1	47	-1.0	-44.59	376.14	4.77	-39.82
COCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255150	0	44	-1.0	-47.10	354.58	3.97	-43.13
COCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255150	1	44	-1.0	-47.08	354.64	3.99	-43.09
COCCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255151	0	51	-1.0	-46.94	406.91	6.82	-40.12
COCCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255151	1	51	-1.0	-46.90	406.96	6.82	-40.08
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255152	0	40	-1.0	-43.63	326.46	7.88	-35.75
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255152	1	40	-1.0	-43.57	326.49	7.87	-35.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300020255153	0	56	0.0	-66.36	418.73	10.24	-56.12
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300020255153	1	56	0.0	-67.67	413.72	9.69	-57.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300020255153	1	56	0.0	-66.35	418.79	10.26	-56.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300020255153	1	56	0.0	-67.70	413.78	9.71	-57.99
CCSC(C)C1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=N1	REAL300020255154	0	47	-1.0	-42.55	400.67	5.21	-37.34
CCSC(C)C1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=N1	REAL300020255154	1	47	-1.0	-42.59	400.73	5.23	-37.36
CCSC(C)C1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=N1	REAL300020255155	0	44	-1.0	-44.61	378.77	4.72	-39.89
CCSC(C)C1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=N1	REAL300020255155	1	44	-1.0	-44.62	378.82	4.75	-39.87
COC1=CC=C(Br)C=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255156	0	40	-1.0	-45.84	346.63	6.57	-39.27
COC1=CC=C(Br)C=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255156	1	40	-1.0	-45.85	346.69	6.59	-39.26
COCCCS(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255157	0	51	-1.0	-48.03	419.68	2.74	-45.29
COCCCS(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255157	1	51	-1.0	-48.03	419.74	2.76	-45.27
COCCCS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255158	0	48	-1.0	-53.30	397.52	1.97	-51.33
COCCCS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255158	1	48	-1.0	-53.35	397.57	2.00	-51.35
COC(=O)C1=CC=CC(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020255159	0	51	-1.0	-47.80	414.13	7.24	-40.56
COC(=O)C1=CC=CC(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020255159	1	51	-1.0	-47.82	414.19	7.26	-40.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020255160	0	49	-1.0	-41.50	379.43	8.73	-32.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020255160	1	49	-1.0	-41.52	379.49	8.75	-32.77
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020255161	0	46	-1.0	-43.30	362.74	7.93	-35.37
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020255161	1	46	-1.0	-43.31	362.79	7.96	-35.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020255162	0	41	-1.0	-41.17	354.77	6.33	-34.84
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020255162	1	41	-1.0	-41.21	354.83	6.34	-34.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020255163	0	38	-1.0	-43.71	333.27	5.53	-38.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020255163	1	38	-1.0	-43.73	333.33	5.56	-38.17
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020255164	0	53	0.0	-67.75	384.42	7.86	-59.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020255164	1	53	0.0	-64.91	389.35	8.28	-56.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020255164	1	53	0.0	-67.75	384.48	7.88	-59.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020255164	1	53	0.0	-64.92	389.41	8.30	-56.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020255165	0	50	0.0	-67.13	362.93	7.07	-60.06
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020255165	1	50	0.0	-66.09	367.85	7.48	-58.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020255165	1	50	0.0	-67.17	362.99	7.09	-60.08
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020255165	1	50	0.0	-66.12	367.91	7.50	-58.62
CN(CCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255166	0	43	-1.0	-42.77	350.35	8.53	-34.24
CN(CCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255166	1	43	-1.0	-42.73	350.39	8.51	-34.22
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255167	0	47	-1.0	-44.03	384.42	4.81	-39.22
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255167	1	47	-1.0	-44.07	384.48	4.82	-39.25
CCOCCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255168	0	44	-1.0	-46.18	363.98	4.05	-42.13
CCOCCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255168	1	44	-1.0	-46.19	364.04	4.07	-42.12
CCOCCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255169	0	51	-1.0	-44.43	407.42	6.34	-38.09
CCOCCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255169	1	51	-1.0	-44.46	407.47	6.34	-38.12
COCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255170	0	43	-1.0	-42.38	357.12	5.90	-36.48
COCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255170	1	43	-1.0	-42.38	357.16	5.89	-36.49
CC(=O)N(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255171	0	46	-1.0	-47.60	366.40	5.63	-41.97
CC(=O)N(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255171	1	46	-1.0	-47.60	366.46	5.64	-41.96
CC(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255172	0	43	-1.0	-49.97	342.13	4.81	-45.16
CC(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255172	1	43	-1.0	-49.97	342.18	4.84	-45.13
CC(=O)N(C)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255173	0	50	-1.0	-50.21	391.51	7.70	-42.51
CC(=O)N(C)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255173	1	50	-1.0	-50.13	391.54	7.69	-42.44
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C)S1	REAL300020255174	0	40	-1.0	-38.99	335.17	6.34	-32.65
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C)S1	REAL300020255174	1	40	-1.0	-39.02	335.22	6.35	-32.67
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(C)S1	REAL300020255175	0	44	-1.0	-41.41	367.21	8.48	-32.93
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(C)S1	REAL300020255175	1	44	-1.0	-41.40	367.27	8.47	-32.93
CC1CC[NH+](CC2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)CC1	REAL300020255176	0	58	0.0	-62.51	425.84	9.91	-52.60
CC1CC[NH+](CC2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)CC1	REAL300020255176	1	58	0.0	-62.49	425.90	9.93	-52.56
CC1CC[NH+](CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)CC1	REAL300020255177	0	55	0.0	-63.86	409.50	9.09	-54.77
CC1CC[NH+](CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)CC1	REAL300020255177	1	55	0.0	-63.88	409.55	9.12	-54.76
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255178	0	58	0.0	-60.50	427.13	9.74	-50.76
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255178	1	58	0.0	-63.44	419.69	9.41	-54.03
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255178	1	58	0.0	-60.51	427.19	9.75	-50.76
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255178	1	58	0.0	-63.43	419.75	9.43	-54.00
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255179	0	55	0.0	-61.57	405.64	8.94	-52.63
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255179	1	55	0.0	-63.71	393.47	8.73	-54.98
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255179	1	55	0.0	-61.58	405.70	8.97	-52.61
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255179	1	55	0.0	-63.76	393.52	8.75	-55.01
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=C(F)C=CC=C2F)CC1	REAL300020255180	0	44	-1.0	-52.92	374.20	6.61	-46.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=C(F)C=CC=C2F)CC1	REAL300020255180	1	44	-1.0	-52.87	374.26	6.63	-46.24
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255181	0	37	-1.0	-43.86	312.38	3.39	-40.47
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255181	1	37	-1.0	-43.90	312.44	3.40	-40.50
CN(CC1=CN=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255182	0	41	-1.0	-46.47	344.23	5.51	-40.96
CN(CC1=CN=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255182	1	41	-1.0	-46.45	344.26	5.50	-40.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2F)CC1	REAL300020255183	0	46	-1.0	-45.41	387.54	7.12	-38.29
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2F)CC1	REAL300020255183	1	46	-1.0	-45.46	387.60	7.13	-38.33
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2F)CC1	REAL300020255184	0	43	-1.0	-47.84	364.96	6.29	-41.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2F)CC1	REAL300020255184	1	43	-1.0	-47.87	365.02	6.32	-41.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC(Cl)=C2)CC1	REAL300020255185	0	44	-1.0	-50.37	374.50	6.87	-43.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC(Cl)=C2)CC1	REAL300020255185	1	44	-1.0	-50.38	374.55	6.89	-43.49
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020255186	0	46	0.0	-63.57	353.09	7.00	-56.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020255186	1	46	0.0	-62.64	354.67	6.84	-55.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020255186	1	46	0.0	-63.53	353.15	7.01	-56.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020255186	1	46	0.0	-62.60	354.73	6.85	-55.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020255187	0	43	0.0	-63.47	331.66	6.24	-57.23
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020255187	1	43	0.0	-61.70	326.05	6.22	-55.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020255187	1	43	0.0	-63.46	331.60	6.22	-57.24
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020255187	1	43	0.0	-61.64	326.00	6.19	-55.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020255187	1	42	-1.0	-42.48	318.97	3.42	-39.06
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2CCCCC2C1	REAL300020255187	1	42	-1.0	-42.51	319.03	3.45	-39.06
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020255188	0	50	0.0	-69.97	380.91	9.04	-60.93
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020255188	1	50	0.0	-71.37	379.44	9.10	-62.27
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020255188	1	50	0.0	-70.00	380.86	9.05	-60.95
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020255188	1	50	0.0	-71.36	379.41	9.12	-62.24
CN(CCCOC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255189	0	46	-1.0	-41.36	387.56	7.39	-33.97
CN(CCCOC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255189	1	46	-1.0	-41.37	387.62	7.41	-33.96
CN(CCCOC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255190	0	43	-1.0	-43.00	367.09	6.66	-36.34
CN(CCCOC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255190	1	43	-1.0	-42.99	367.15	6.69	-36.30
CC(C)CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255191	0	52	-1.0	-40.30	401.95	7.58	-32.72
CC(C)CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255191	1	52	-1.0	-40.33	402.00	7.60	-32.73
CC(C)CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255192	0	49	-1.0	-40.97	387.60	6.78	-34.19
CC(C)CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255192	1	49	-1.0	-41.03	387.66	6.80	-34.23
CC(C)CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255193	0	56	-1.0	-41.40	440.68	9.47	-31.93
CC(C)CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255193	1	56	-1.0	-41.37	440.74	9.45	-31.92
CC1=CC=CC(C)=C1OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255194	0	53	-1.0	-41.69	413.01	9.41	-32.28
CC1=CC=CC(C)=C1OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255194	1	53	-1.0	-41.73	413.06	9.43	-32.30
CC1=CC=CC(C)=C1OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255195	0	50	-1.0	-44.53	392.60	8.65	-35.88
CC1=CC=CC(C)=C1OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255195	1	50	-1.0	-44.50	392.65	8.68	-35.82
CN(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255196	0	42	-1.0	-40.93	360.81	8.12	-32.81
CN(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255196	1	42	-1.0	-40.94	360.87	8.13	-32.81
CN(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255197	0	39	-1.0	-42.90	340.25	7.37	-35.53
CN(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255197	1	39	-1.0	-42.89	340.31	7.40	-35.49
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255198	0	42	-1.0	-41.86	343.21	7.73	-34.13
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255198	1	42	-1.0	-41.85	343.25	7.72	-34.13
COC1=CC=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020255199	0	50	-1.0	-43.00	393.45	8.23	-34.77
COC1=CC=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020255199	1	50	-1.0	-43.03	393.51	8.25	-34.78
COC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020255200	0	47	-1.0	-45.10	371.95	7.44	-37.66
COC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020255200	1	47	-1.0	-45.06	372.01	7.46	-37.60
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020255201	0	42	-1.0	-45.66	341.23	7.47	-38.19
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020255201	1	42	-1.0	-45.62	341.17	7.46	-38.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020255202	0	39	-1.0	-47.64	320.81	6.73	-40.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020255202	1	39	-1.0	-47.63	320.76	6.70	-40.93
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020255203	0	46	-1.0	-48.67	373.16	9.56	-39.11
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020255203	1	46	-1.0	-48.75	373.11	9.56	-39.19
CN(CCC1=CC=CC2=CC=CC=C21)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255204	0	48	-1.0	-42.97	394.76	9.88	-33.09
CN(CCC1=CC=CC2=CC=CC=C21)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255204	1	48	-1.0	-42.98	394.82	9.90	-33.08
CN(CCC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255205	0	45	-1.0	-46.23	372.25	9.04	-37.19
CN(CCC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255205	1	45	-1.0	-46.23	372.31	9.06	-37.17
CN(CCCC1=CC(C2=CC=CC=C2)=NO1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255206	0	51	-1.0	-45.59	421.96	9.96	-35.63
CN(CCCC1=CC(C2=CC=CC=C2)=NO1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255206	1	51	-1.0	-45.60	421.91	9.94	-35.66
CN(CCCC1=CC(C2=CC=CC=C2)=NO1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255207	0	48	-1.0	-47.09	407.23	8.96	-38.13
CN(CCCC1=CC(C2=CC=CC=C2)=NO1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255207	1	48	-1.0	-47.10	407.17	8.93	-38.17
CC1CCC(C)[NH+]1CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255208	0	60	0.0	-64.93	433.90	6.69	-58.24
CC1CCC(C)[NH+]1CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255208	1	60	0.0	-64.90	433.96	6.70	-58.20
CC1CCC(C)[NH+]1CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255209	0	57	0.0	-67.42	413.63	6.09	-61.33
CC1CCC(C)[NH+]1CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255209	1	57	0.0	-67.41	413.69	6.12	-61.29
CN(CC1CCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255210	0	46	-1.0	-43.56	360.04	9.06	-34.50
CN(CC1CCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255210	1	46	-1.0	-43.53	360.08	9.05	-34.48
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CNC3=CC(F)=CC=C23)CC1	REAL300020255211	0	50	-1.0	-44.33	405.02	9.17	-35.16
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CNC3=CC(F)=CC=C23)CC1	REAL300020255211	1	50	-1.0	-44.34	405.07	9.18	-35.16
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CNC3=CC(F)=CC=C23)CC1	REAL300020255212	0	47	-1.0	-45.60	390.15	8.12	-37.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CNC3=CC(F)=CC=C23)CC1	REAL300020255212	1	47	-1.0	-45.61	390.21	8.14	-37.47
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255213	0	41	-1.0	-53.13	357.59	4.93	-48.20
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255213	1	41	-1.0	-53.07	357.65	4.94	-48.13
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255214	0	38	-1.0	-53.51	335.94	4.16	-49.35
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255214	1	38	-1.0	-53.52	336.00	4.19	-49.33
CC1=NC(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=CS1	REAL300020255215	0	47	-1.0	-44.21	388.86	4.39	-39.82
CC1=NC(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=CS1	REAL300020255215	1	47	-1.0	-44.22	388.91	4.41	-39.81
CC1=NC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=CS1	REAL300020255216	0	44	-1.0	-46.35	367.36	3.61	-42.74
CC1=NC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=CS1	REAL300020255216	1	44	-1.0	-46.38	367.42	3.63	-42.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCOCC2)CC1	REAL300020255217	0	50	-1.0	-48.89	384.01	4.27	-44.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCOCC2)CC1	REAL300020255217	1	50	-1.0	-48.92	384.07	4.28	-44.64
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCOCC2)CC1	REAL300020255218	0	47	-1.0	-50.82	362.49	3.48	-47.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCOCC2)CC1	REAL300020255218	1	47	-1.0	-50.84	362.55	3.51	-47.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCCC2)CC1	REAL300020255219	0	52	-1.0	-46.38	398.05	6.45	-39.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCCC2)CC1	REAL300020255219	1	52	-1.0	-46.36	398.11	6.46	-39.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCCC2)CC1	REAL300020255220	0	49	-1.0	-47.01	376.56	5.66	-41.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCCC2)CC1	REAL300020255220	1	49	-1.0	-47.01	376.61	5.69	-41.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020255221	0	49	-1.0	-49.15	376.97	5.65	-43.50
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020255221	1	49	-1.0	-49.18	377.03	5.66	-43.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020255222	0	46	-1.0	-50.18	354.39	4.82	-45.36
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020255222	1	46	-1.0	-50.24	354.45	4.84	-45.40
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CN2CCOCC2)CC1	REAL300020255223	0	53	-1.0	-48.31	410.22	3.11	-45.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CN2CCOCC2)CC1	REAL300020255223	1	53	-1.0	-48.34	410.27	3.12	-45.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CN2CCOCC2)CC1	REAL300020255224	0	50	-1.0	-50.67	388.72	2.32	-48.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CN2CCOCC2)CC1	REAL300020255224	1	50	-1.0	-50.69	388.78	2.35	-48.34
CN1N=CC2=C(N3CCN(C4=NN=C(CCC5=NN=N[N-]5)N4C)CC3)N=CN=C21	REAL300020255225	0	49	-1.0	-45.93	395.53	6.35	-39.58
CN1N=CC2=C(N3CCN(C4=NN=C(CCC5=N[N-]N=N5)N4C)CC3)N=CN=C21	REAL300020255225	1	49	-1.0	-45.90	395.48	6.34	-39.56
CN1N=CC2=C(N3CCN(C4=NN=C(CC5=NN=N[N-]5)N4C)CC3)N=CN=C21	REAL300020255226	0	46	-1.0	-46.48	372.93	5.54	-40.94
CN1N=CC2=C(N3CCN(C4=NN=C(CC5=N[N-]N=N5)N4C)CC3)N=CN=C21	REAL300020255226	1	46	-1.0	-46.43	372.88	5.52	-40.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2=CC=CC=C2)CC1	REAL300020255227	0	52	-1.0	-50.82	415.56	5.25	-45.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2=CC=CC=C2)CC1	REAL300020255227	1	52	-1.0	-50.80	415.62	5.27	-45.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2=CC=CC=C2)CC1	REAL300020255228	0	49	-1.0	-53.48	394.07	4.47	-49.01
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2=CC=CC=C2)CC1	REAL300020255228	1	49	-1.0	-53.48	394.12	4.49	-48.99
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255229	0	40	-1.0	-42.25	329.94	4.26	-37.99
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255229	1	40	-1.0	-42.26	330.00	4.28	-37.98
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255230	0	44	-1.0	-44.28	359.39	6.19	-38.09
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255230	1	44	-1.0	-44.24	359.43	6.18	-38.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020255231	0	45	-1.0	-45.18	375.38	6.20	-38.98
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020255231	1	45	-1.0	-45.18	375.33	6.19	-38.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020255232	0	42	-1.0	-47.59	353.79	5.43	-42.16
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020255232	1	42	-1.0	-47.60	353.73	5.40	-42.20
CN(CC1=CC=C(F)C=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255233	0	39	-1.0	-40.57	329.81	7.10	-33.47
CN(CC1=CC=C(F)C=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255233	1	39	-1.0	-40.58	329.87	7.11	-33.47
CN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255234	0	36	-1.0	-42.25	309.33	6.38	-35.87
CN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255234	1	36	-1.0	-42.24	309.27	6.35	-35.89
CN(CC1=CC=C(F)C=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255235	0	43	-1.0	-42.96	361.65	9.23	-33.73
CN(CC1=CC=C(F)C=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255235	1	43	-1.0	-42.97	361.69	9.22	-33.75
CN(CC1=CC=CC=C1C(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255236	0	42	-1.0	-45.14	353.91	9.01	-36.13
CN(CC1=CC=CC=C1C(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255236	1	42	-1.0	-45.12	353.96	9.02	-36.10
CN(CC1=CC=CC=C1C(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255237	0	39	-1.0	-50.48	333.36	8.26	-42.22
CN(CC1=CC=CC=C1C(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255237	1	39	-1.0	-50.48	333.41	8.29	-42.19
CN(CC1=CC=CC=C1OC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255238	0	43	-1.0	-41.41	362.32	7.19	-34.22
CN(CC1=CC=CC=C1OC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255238	1	43	-1.0	-41.39	362.37	7.21	-34.18
CN(CC1=CC=CC=C1OC(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255239	0	40	-1.0	-48.03	347.80	6.24	-41.79
CN(CC1=CC=CC=C1OC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255239	1	40	-1.0	-48.02	347.86	6.26	-41.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1	REAL300020255240	0	47	-1.0	-49.33	383.20	5.01	-44.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1	REAL300020255240	1	47	-1.0	-49.37	383.26	5.04	-44.33
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020255241	0	44	-1.0	-42.68	358.28	6.52	-36.16
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020255241	1	44	-1.0	-42.64	358.32	6.51	-36.13
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=CSC3=NC=N2)CC1	REAL300020255242	0	46	-1.0	-43.13	388.13	6.73	-36.40
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=CSC3=NC=N2)CC1	REAL300020255242	1	46	-1.0	-43.15	388.07	6.71	-36.44
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=CSC3=NC=N2)CC1	REAL300020255243	0	43	-1.0	-47.70	360.76	5.97	-41.73
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=CSC3=NC=N2)CC1	REAL300020255243	1	43	-1.0	-47.65	360.71	5.95	-41.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020255244	0	44	-1.0	-41.96	364.73	6.92	-35.04
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020255244	1	44	-1.0	-41.95	364.79	6.93	-35.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020255245	0	41	-1.0	-44.04	342.18	6.10	-37.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020255245	1	41	-1.0	-44.07	342.24	6.13	-37.94
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020255246	0	48	-1.0	-45.57	390.07	8.99	-36.58
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020255246	1	48	-1.0	-45.53	390.11	8.98	-36.55
CN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255247	0	45	-1.0	-39.53	352.67	7.52	-32.01
CN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255247	1	45	-1.0	-39.55	352.73	7.53	-32.02
CN(CC1CCCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255248	0	49	-1.0	-43.27	377.81	9.90	-33.37
CN(CC1CCCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255248	1	49	-1.0	-43.27	377.84	9.89	-33.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(Cl)C=C2)CC1	REAL300020255249	0	44	-1.0	-48.55	373.84	6.86	-41.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(Cl)C=C2)CC1	REAL300020255249	1	44	-1.0	-48.55	373.90	6.88	-41.67
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020255250	0	52	0.0	-66.89	381.91	8.37	-58.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020255250	1	52	0.0	-66.87	381.96	8.38	-58.49
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020255251	0	49	0.0	-67.79	361.50	7.61	-60.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020255251	1	49	0.0	-67.81	361.55	7.63	-60.18
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020255252	0	56	0.0	-72.31	413.86	10.46	-61.85
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020255252	1	56	0.0	-72.27	413.89	10.47	-61.80
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020255253	0	47	-1.0	-41.23	380.14	7.01	-34.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020255253	1	47	-1.0	-41.25	380.20	7.03	-34.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020255254	0	44	-1.0	-45.80	352.65	6.27	-39.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020255254	1	44	-1.0	-45.78	352.71	6.29	-39.49
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020255255	0	51	-1.0	-43.25	409.41	9.09	-34.16
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020255255	1	51	-1.0	-43.20	409.45	9.08	-34.12
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020255256	0	49	-1.0	-44.87	401.44	8.59	-36.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020255256	1	49	-1.0	-44.88	401.50	8.61	-36.27
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020255257	0	46	-1.0	-45.54	379.94	7.80	-37.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020255257	1	46	-1.0	-45.55	380.00	7.82	-37.73
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)C(=O)C1	REAL300020255258	0	47	-1.0	-43.42	391.14	7.53	-35.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)C(=O)C1	REAL300020255258	1	47	-1.0	-43.44	391.20	7.55	-35.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)C(=O)C1	REAL300020255259	0	44	-1.0	-44.80	369.64	6.75	-38.05
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)C(=O)C1	REAL300020255259	1	44	-1.0	-44.86	369.70	6.77	-38.09
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020255260	0	44	-1.0	-43.09	348.19	8.34	-34.75
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020255260	1	44	-1.0	-43.01	348.21	8.33	-34.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020255261	0	49	-1.0	-43.05	379.21	3.68	-39.37
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020255261	1	49	-1.0	-43.09	379.27	3.69	-39.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020255261	1	50	0.0	-70.87	380.10	5.97	-64.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020255262	0	46	-1.0	-46.33	358.83	2.93	-43.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020255262	1	46	-1.0	-46.32	358.89	2.95	-43.37
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020255262	1	47	0.0	-71.52	356.00	5.16	-66.36
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020255263	0	53	-1.0	-45.43	411.25	5.74	-39.69
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020255263	1	53	-1.0	-45.41	411.28	5.74	-39.67
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020255263	1	54	0.0	-75.73	411.64	8.05	-67.68
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCC1C1=CC=CC=C1	REAL300020255264	0	49	-1.0	-40.27	380.21	9.45	-30.82
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCC1C1=CC=CC=C1	REAL300020255264	1	49	-1.0	-40.27	380.26	9.46	-30.81
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCC1C1=CC=CC=C1	REAL300020255265	0	46	-1.0	-42.90	352.15	8.71	-34.19
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCC1C1=CC=CC=C1	REAL300020255265	1	46	-1.0	-42.90	352.21	8.73	-34.17
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020255266	0	51	-1.0	-42.28	392.61	9.59	-32.69
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020255266	1	51	-1.0	-42.29	392.67	9.60	-32.69
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020255267	0	48	-1.0	-42.89	377.97	8.75	-34.14
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020255267	1	48	-1.0	-42.89	378.03	8.77	-34.12
CC(C1=CC=C(Cl)C=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255268	0	48	-1.0	-43.44	393.21	7.34	-36.10
CC(C1=CC=C(Cl)C=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255268	1	48	-1.0	-43.47	393.27	7.36	-36.11
CC(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255269	0	45	-1.0	-40.62	343.08	7.24	-33.38
CC(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255269	1	45	-1.0	-40.64	343.14	7.25	-33.39
CC(C)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255270	0	49	-1.0	-42.92	375.28	9.35	-33.57
CC(C)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255270	1	49	-1.0	-42.89	375.33	9.33	-33.56
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C(F)(F)F)O1	REAL300020255271	0	40	-1.0	-40.94	345.90	4.75	-36.19
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C(F)(F)F)O1	REAL300020255271	1	40	-1.0	-40.95	345.96	4.76	-36.19
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C(F)(F)F)O1	REAL300020255272	0	37	-1.0	-43.43	317.02	4.13	-39.30
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C(F)(F)F)O1	REAL300020255272	1	37	-1.0	-43.47	317.08	4.16	-39.31
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(C(F)(F)F)O1	REAL300020255273	0	44	-1.0	-45.08	365.91	7.26	-37.82
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(C(F)(F)F)O1	REAL300020255273	1	44	-1.0	-45.06	365.96	7.24	-37.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020255274	0	52	0.0	-63.41	388.99	8.26	-55.15
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020255274	1	52	0.0	-63.43	389.05	8.27	-55.16
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020255275	0	49	0.0	-64.28	368.59	7.50	-56.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020255275	1	49	0.0	-64.28	368.65	7.52	-56.76
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020255276	0	56	0.0	-68.45	420.60	10.35	-58.10
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020255276	1	56	0.0	-68.48	420.64	10.35	-58.13
CCOC(=O)CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255277	0	51	-1.0	-46.93	404.56	8.48	-38.45
CCOC(=O)CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255277	1	51	-1.0	-46.97	404.62	8.49	-38.48
CCOC(=O)CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255278	0	48	-1.0	-49.86	383.01	7.70	-42.16
CCOC(=O)CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255278	1	48	-1.0	-49.88	383.07	7.73	-42.15
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020255279	0	45	-1.0	-50.25	363.06	5.99	-44.26
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020255279	1	45	-1.0	-50.27	363.01	5.97	-44.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020255280	0	42	-1.0	-53.94	341.56	5.20	-48.74
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020255280	1	42	-1.0	-53.93	341.51	5.18	-48.75
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020255281	0	49	-1.0	-52.18	395.01	8.06	-44.12
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020255281	1	49	-1.0	-52.20	394.97	8.07	-44.13
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020255282	0	44	-1.0	-43.47	360.77	4.89	-38.58
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020255282	1	44	-1.0	-43.51	360.83	4.90	-38.61
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020255283	0	41	-1.0	-46.99	338.29	4.05	-42.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020255283	1	41	-1.0	-47.00	338.34	4.07	-42.93
CC(=O)N1CCC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255284	0	46	-1.0	-49.52	368.02	5.46	-44.06
CC(=O)N1CCC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255284	1	46	-1.0	-49.53	368.08	5.47	-44.06
CC(=O)N1CCC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255285	0	43	-1.0	-49.25	345.37	4.75	-44.50
CC(=O)N1CCC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255285	1	43	-1.0	-49.26	345.42	4.77	-44.49
CC(=O)N1CCC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255286	0	50	-1.0	-51.28	400.47	7.75	-43.53
CC(=O)N1CCC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255286	1	50	-1.0	-51.23	400.51	7.74	-43.49
COCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255287	0	44	-1.0	-43.78	357.09	3.87	-39.91
COCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255287	1	44	-1.0	-43.80	357.15	3.89	-39.91
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255288	0	41	-1.0	-47.52	338.43	3.18	-44.34
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255288	1	41	-1.0	-47.52	338.49	3.20	-44.32
COCCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255289	0	48	-1.0	-46.06	388.39	5.92	-40.14
COCCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255289	1	48	-1.0	-46.01	388.45	5.92	-40.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020255290	0	39	-1.0	-40.91	331.46	6.37	-34.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020255290	1	39	-1.0	-40.94	331.52	6.39	-34.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020255291	0	36	-1.0	-43.80	309.45	5.36	-38.44
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020255291	1	36	-1.0	-43.83	309.51	5.38	-38.45
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020255292	0	43	-1.0	-43.35	360.65	8.46	-34.89
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020255292	1	43	-1.0	-43.34	360.69	8.45	-34.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020255293	0	44	-1.0	-46.04	348.03	5.43	-40.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020255293	1	44	-1.0	-46.04	348.09	5.44	-40.60
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020255294	0	41	-1.0	-46.53	326.52	4.64	-41.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020255294	1	41	-1.0	-46.54	326.58	4.67	-41.87
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020255295	0	48	-1.0	-48.11	379.33	7.49	-40.62
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020255295	1	48	-1.0	-48.03	379.39	7.47	-40.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020255296	0	45	-1.0	-43.48	386.41	7.07	-36.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020255296	1	45	-1.0	-43.47	386.47	7.08	-36.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020255297	0	42	-1.0	-46.67	363.26	6.46	-40.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020255297	1	42	-1.0	-46.65	363.31	6.48	-40.17
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCN1CC(F)(F)F	REAL300020255298	0	44	-1.0	-42.65	355.48	4.77	-37.88
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCN1CC(F)(F)F	REAL300020255298	1	44	-1.0	-42.63	355.53	4.78	-37.85
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCN1CC(F)(F)F	REAL300020255299	0	41	-1.0	-43.16	332.76	3.17	-39.99
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1CC(F)(F)F	REAL300020255299	1	41	-1.0	-43.14	332.81	3.19	-39.95
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020255300	0	40	-1.0	-43.14	330.21	7.41	-35.73
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020255300	1	40	-1.0	-43.09	330.26	7.39	-35.70
COCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1=O	REAL300020255301	0	44	-1.0	-42.55	357.49	3.69	-38.86
COCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1=O	REAL300020255301	1	44	-1.0	-42.51	357.55	3.70	-38.81
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1=O	REAL300020255302	0	41	-1.0	-44.10	336.00	2.91	-41.19
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1=O	REAL300020255302	1	41	-1.0	-44.09	336.05	2.93	-41.16
COCCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1=O	REAL300020255303	0	48	-1.0	-48.88	382.57	6.01	-42.87
COCCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1=O	REAL300020255303	1	48	-1.0	-52.38	386.74	5.28	-47.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020255304	0	50	-1.0	-41.44	388.29	6.78	-34.66
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020255304	1	50	-1.0	-41.45	388.35	6.79	-34.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020255305	0	47	-1.0	-43.32	366.79	5.99	-37.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020255305	1	47	-1.0	-43.38	366.85	6.03	-37.35
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020255306	0	54	-1.0	-44.68	413.14	8.90	-35.78
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020255306	1	54	-1.0	-44.66	413.20	8.91	-35.75
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC12CCC2	REAL300020255307	0	46	-1.0	-41.18	341.60	6.97	-34.21
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC12CCC2	REAL300020255307	1	46	-1.0	-41.17	341.66	6.99	-34.18
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC12CCC2	REAL300020255308	0	43	-1.0	-42.54	330.81	6.72	-35.82
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC12CCC2	REAL300020255308	1	43	-1.0	-42.53	330.87	6.75	-35.78
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC12CCC2	REAL300020255309	0	50	-1.0	-43.39	373.77	9.08	-34.31
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC12CCC2	REAL300020255309	1	50	-1.0	-43.39	373.82	9.07	-34.32
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255310	0	43	-1.0	-40.55	339.97	4.74	-35.81
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255310	1	43	-1.0	-40.56	340.03	4.75	-35.81
COC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255311	0	47	-1.0	-44.80	364.26	7.07	-37.73
COC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255311	1	47	-1.0	-44.81	364.30	7.06	-37.75
COC(=O)C(C)(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255312	0	51	-1.0	-45.82	394.08	7.24	-38.58
COC(=O)C(C)(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255312	1	51	-1.0	-45.81	394.14	7.25	-38.56
COC(=O)C(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255313	0	48	-1.0	-48.35	367.09	6.73	-41.62
COC(=O)C(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255313	1	48	-1.0	-48.34	367.14	6.75	-41.59
C[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCN1S(C)(=O)=O	REAL300020255314	0	44	-1.0	-49.46	358.23	2.34	-47.12
C[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCN1S(C)(=O)=O	REAL300020255314	1	44	-1.0	-49.45	358.29	2.36	-47.09
C[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCN1S(C)(=O)=O	REAL300020255315	0	41	-1.0	-51.71	337.56	1.58	-50.13
C[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1S(C)(=O)=O	REAL300020255315	1	41	-1.0	-51.71	337.61	1.60	-50.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020255316	0	43	-1.0	-42.26	369.58	6.66	-35.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020255316	1	43	-1.0	-42.27	369.52	6.65	-35.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020255317	0	40	-1.0	-43.86	348.62	5.66	-38.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020255317	1	40	-1.0	-43.83	348.57	5.64	-38.19
COC(=O)COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020255318	0	49	-1.0	-46.45	407.93	8.05	-38.40
COC(=O)COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020255318	1	49	-1.0	-46.46	407.99	8.07	-38.39
COC(=O)COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020255319	0	46	-1.0	-48.73	387.39	7.30	-41.43
COC(=O)COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020255319	1	46	-1.0	-48.70	387.43	7.33	-41.37
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020255320	0	47	-1.0	-42.49	361.51	6.12	-36.37
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020255320	1	47	-1.0	-42.50	361.57	6.14	-36.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020255321	0	44	-1.0	-44.51	340.01	5.33	-39.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020255321	1	44	-1.0	-44.51	340.07	5.35	-39.16
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020255322	0	51	-1.0	-44.88	393.45	8.22	-36.66
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020255322	1	51	-1.0	-44.89	393.50	8.22	-36.67
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255323	0	51	-1.0	-42.67	393.60	7.58	-35.09
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255323	1	51	-1.0	-42.67	393.65	7.60	-35.07
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255324	0	48	-1.0	-43.05	370.97	6.76	-36.29
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255324	1	48	-1.0	-43.11	371.03	6.79	-36.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2Cl)CC1	REAL300020255325	0	47	-1.0	-43.73	378.60	6.18	-37.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2Cl)CC1	REAL300020255325	1	47	-1.0	-43.76	378.66	6.19	-37.57
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2Cl)CC1	REAL300020255326	0	44	-1.0	-46.94	356.99	5.39	-41.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2Cl)CC1	REAL300020255326	1	44	-1.0	-47.01	357.05	5.41	-41.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CC2=CC=CC=C2)CC1	REAL300020255327	0	53	-1.0	-42.88	403.09	6.98	-35.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CC2=CC=CC=C2)CC1	REAL300020255327	1	53	-1.0	-42.92	403.15	6.99	-35.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CC2=CC=CC=C2)CC1	REAL300020255328	0	50	-1.0	-43.60	385.30	6.33	-37.27
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CC2=CC=CC=C2)CC1	REAL300020255328	1	50	-1.0	-43.56	385.36	6.36	-37.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2)CC1	REAL300020255329	0	50	-1.0	-48.84	403.75	8.16	-40.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2)CC1	REAL300020255329	1	50	-1.0	-48.87	403.80	8.18	-40.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2)CC1	REAL300020255330	0	47	-1.0	-51.23	382.27	7.39	-43.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2)CC1	REAL300020255330	1	47	-1.0	-51.22	382.33	7.41	-43.81
CC(C)CN1CC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCN2C1=O	REAL300020255331	0	52	-1.0	-46.50	410.77	7.00	-39.50
CC(C)CN1CC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCN2C1=O	REAL300020255331	1	52	-1.0	-46.48	410.83	7.01	-39.47
CC(C)CN1CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCN2C1=O	REAL300020255332	0	49	-1.0	-48.75	389.74	6.01	-42.74
CC(C)CN1CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCN2C1=O	REAL300020255332	1	49	-1.0	-48.78	389.80	6.03	-42.75
CN1CC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCN2C1=O	REAL300020255333	0	43	-1.0	-47.17	345.48	4.75	-42.42
CN1CC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCN2C1=O	REAL300020255333	1	43	-1.0	-47.13	345.54	4.77	-42.36
CN1CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCN2C1=O	REAL300020255334	0	40	-1.0	-48.19	323.99	3.97	-44.22
CN1CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCN2C1=O	REAL300020255334	1	40	-1.0	-48.19	324.04	3.99	-44.20
CN1CC2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CCN2C1=O	REAL300020255335	0	47	-1.0	-50.01	376.36	6.84	-43.17
CN1CC2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CCN2C1=O	REAL300020255335	1	47	-1.0	-49.98	376.40	6.82	-43.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020255336	0	47	-1.0	-40.90	357.20	5.85	-35.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020255336	1	47	-1.0	-40.87	357.26	5.86	-35.01
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020255337	0	44	-1.0	-42.59	335.68	5.07	-37.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020255337	1	44	-1.0	-42.62	335.74	5.10	-37.52
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020255338	0	51	-1.0	-44.08	383.93	8.09	-35.99
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020255338	1	51	-1.0	-44.04	383.96	8.08	-35.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020255339	0	46	-1.0	-40.24	359.91	5.44	-34.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020255339	1	46	-1.0	-40.23	359.96	5.45	-34.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020255340	0	43	-1.0	-42.59	336.71	4.82	-37.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020255340	1	43	-1.0	-42.63	336.77	4.85	-37.78
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020255341	0	50	-1.0	-43.70	384.34	7.73	-35.97
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020255341	1	50	-1.0	-43.69	384.37	7.72	-35.97
CC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C(C)=C1	REAL300020255342	0	49	-1.0	-42.70	386.45	9.20	-33.50
CC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C(C)=C1	REAL300020255342	1	49	-1.0	-42.70	386.51	9.21	-33.49
CC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C(C)=C1	REAL300020255343	0	46	-1.0	-45.91	361.88	8.38	-37.53
CC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C(C)=C1	REAL300020255343	1	46	-1.0	-45.93	361.94	8.41	-37.52
CCC1(C2=CC=C(Cl)C=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255344	0	49	-1.0	-41.99	392.00	9.28	-32.71
CCC1(C2=CC=C(Cl)C=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255344	1	49	-1.0	-42.01	392.05	9.30	-32.71
CC1=CC=CC(CC2(O)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020255345	0	53	-1.0	-42.73	418.93	7.31	-35.42
CC1=CC=CC(CC2(O)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020255345	1	53	-1.0	-42.77	418.99	7.32	-35.45
CC1=CC=CC(CC2(O)CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020255346	0	50	-1.0	-45.27	397.43	6.48	-38.79
CC1=CC=CC(CC2(O)CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020255346	1	50	-1.0	-45.27	397.49	6.50	-38.77
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(Cl)=C2)CC1	REAL300020255347	0	49	-1.0	-40.84	397.47	9.56	-31.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(Cl)=C2)CC1	REAL300020255347	1	49	-1.0	-40.86	397.53	9.58	-31.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(Cl)=C2)CC1	REAL300020255348	0	46	-1.0	-43.24	368.83	8.79	-34.45
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(Cl)=C2)CC1	REAL300020255348	1	46	-1.0	-43.25	368.89	8.81	-34.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020255349	0	48	-1.0	-40.27	362.89	7.45	-32.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020255349	1	48	-1.0	-40.27	362.94	7.46	-32.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020255350	0	45	-1.0	-42.20	341.38	6.66	-35.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020255350	1	45	-1.0	-42.22	341.44	6.69	-35.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020255351	0	52	-1.0	-43.38	387.64	9.59	-33.79
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020255351	1	52	-1.0	-43.32	387.67	9.57	-33.75
CCOC(=O)C1(COC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255352	0	52	-1.0	-46.19	411.81	7.86	-38.33
CCOC(=O)C1(COC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255352	1	52	-1.0	-46.17	411.86	7.88	-38.29
CCOC(=O)C1(COC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255353	0	49	-1.0	-44.04	393.80	6.90	-37.14
CCOC(=O)C1(COC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255353	1	49	-1.0	-44.03	393.86	6.93	-37.10
CN(CCOC1=CC=CC=C1C(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255354	0	55	-1.0	-42.23	426.93	9.53	-32.70
CN(CCOC1=CC=CC=C1C(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255354	1	55	-1.0	-42.23	426.99	9.55	-32.68
CN(CCOC1=CC=CC=C1C(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255355	0	52	-1.0	-42.50	410.07	8.55	-33.95
CN(CCOC1=CC=CC=C1C(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255355	1	52	-1.0	-42.47	410.12	8.58	-33.89
CN(C(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1)C1=CC=CC=C1	REAL300020255356	0	50	-1.0	-49.15	395.26	7.73	-41.42
CN(C(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1)C1=CC=CC=C1	REAL300020255356	1	50	-1.0	-49.13	395.32	7.75	-41.38
CN(C(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1)C1=CC=CC=C1	REAL300020255357	0	47	-1.0	-55.13	380.77	7.26	-47.87
CN(C(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1)C1=CC=CC=C1	REAL300020255357	1	47	-1.0	-55.17	380.82	7.28	-47.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2=CC=C(Cl)C=C2)CC1	REAL300020255358	0	46	-1.0	-42.42	391.53	9.41	-33.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2=CC=C(Cl)C=C2)CC1	REAL300020255358	1	46	-1.0	-42.42	391.58	9.42	-33.00
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2=CC=C(Cl)C=C2)CC1	REAL300020255359	0	43	-1.0	-44.45	370.03	8.62	-35.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2=CC=C(Cl)C=C2)CC1	REAL300020255359	1	43	-1.0	-44.48	370.09	8.65	-35.83
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020255360	0	52	-1.0	-40.83	401.24	4.68	-36.15
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020255360	1	53	0.0	-68.97	403.06	6.69	-62.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020255360	1	52	-1.0	-40.81	401.30	4.69	-36.12
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020255361	0	49	-1.0	-42.85	378.99	3.64	-39.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020255361	1	50	0.0	-68.07	373.91	6.13	-61.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020255361	1	49	-1.0	-42.89	379.05	3.67	-39.22
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020255362	0	54	-1.0	-39.33	404.31	8.15	-31.18
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020255362	1	54	-1.0	-39.35	404.37	8.17	-31.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020255363	0	51	-1.0	-42.32	377.28	7.40	-34.92
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020255363	1	51	-1.0	-42.37	377.33	7.43	-34.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)N2CCCC2)CC1	REAL300020255364	0	51	-1.0	-48.03	406.19	4.65	-43.38
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)N2CCCC2)CC1	REAL300020255364	1	51	-1.0	-48.04	406.25	4.66	-43.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)N2CCCC2)CC1	REAL300020255365	0	48	-1.0	-51.74	385.78	3.89	-47.85
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)N2CCCC2)CC1	REAL300020255365	1	48	-1.0	-51.72	385.83	3.91	-47.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020255366	0	43	-1.0	-41.81	346.90	8.13	-33.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020255366	1	43	-1.0	-41.82	346.96	8.15	-33.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020255367	0	40	-1.0	-43.47	330.20	7.30	-36.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020255367	1	40	-1.0	-43.47	330.15	7.28	-36.19
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020255368	0	47	-1.0	-44.02	376.50	10.14	-33.88
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020255368	1	47	-1.0	-43.92	376.55	10.12	-33.80
CN(CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1)C(=O)OC(C)(C)C	REAL300020255369	0	56	-1.0	-48.95	431.50	7.46	-41.49
CN(CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1)C(=O)OC(C)(C)C	REAL300020255369	1	56	-1.0	-48.95	431.56	7.47	-41.48
CN(CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1)C(=O)OC(C)(C)C	REAL300020255370	0	53	-1.0	-52.05	411.70	6.72	-45.33
CN(CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1)C(=O)OC(C)(C)C	REAL300020255370	1	53	-1.0	-52.07	411.76	6.74	-45.33
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020255371	0	41	-1.0	-50.19	335.75	3.33	-46.86
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020255371	1	41	-1.0	-50.18	335.80	3.31	-46.87
COC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255372	0	49	-1.0	-43.58	389.87	6.01	-37.57
COC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255372	1	49	-1.0	-43.64	389.93	6.02	-37.62
COC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255373	0	46	-1.0	-46.39	363.56	5.19	-41.20
COC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255373	1	46	-1.0	-46.35	363.62	5.21	-41.14
CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255374	0	43	-1.0	-42.71	341.87	8.12	-34.59
CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255374	1	43	-1.0	-42.69	341.90	8.11	-34.58
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1	REAL300020255375	0	38	-1.0	-43.81	311.73	5.10	-38.71
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1	REAL300020255375	1	38	-1.0	-43.73	311.78	5.09	-38.64
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255376	0	40	-1.0	-47.97	323.43	4.42	-43.55
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255376	1	40	-1.0	-47.97	323.49	4.43	-43.54
CC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255377	0	44	-1.0	-50.86	354.31	6.49	-44.37
CC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255377	1	44	-1.0	-50.85	354.34	6.48	-44.37
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020255378	0	45	-1.0	-43.58	366.82	6.71	-36.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020255378	1	45	-1.0	-43.59	366.88	6.72	-36.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020255379	0	42	-1.0	-46.56	344.24	5.89	-40.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020255379	1	42	-1.0	-46.58	344.30	5.91	-40.67
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020255380	0	49	-1.0	-41.30	391.40	9.68	-31.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020255380	1	49	-1.0	-41.33	391.46	9.69	-31.64
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020255381	0	46	-1.0	-44.29	363.75	8.92	-35.37
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020255381	1	46	-1.0	-44.29	363.81	8.94	-35.35
CC1CC(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255382	0	46	-1.0	-42.43	357.76	8.98	-33.45
CC1CC(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255382	1	46	-1.0	-42.37	357.79	8.97	-33.40
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255383	0	45	-1.0	-43.24	363.45	7.07	-36.17
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255383	1	45	-1.0	-43.22	363.51	7.08	-36.14
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255384	0	42	-1.0	-43.24	349.10	6.26	-36.98
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255384	1	42	-1.0	-43.28	349.16	6.28	-37.00
CCOC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255385	0	49	-1.0	-43.87	402.18	8.96	-34.91
CCOC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255385	1	49	-1.0	-43.89	402.25	8.94	-34.95
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255386	0	42	-1.0	-41.79	344.95	7.61	-34.18
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255386	1	42	-1.0	-41.80	344.99	7.60	-34.20
CCOC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255387	0	52	-1.0	-43.54	411.71	6.93	-36.61
CCOC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255387	1	52	-1.0	-43.52	411.77	6.95	-36.57
CCOC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255388	0	49	-1.0	-46.28	389.13	6.11	-40.17
CCOC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255388	1	49	-1.0	-46.25	389.19	6.14	-40.11
CCOC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255389	0	44	-1.0	-44.06	363.94	5.09	-38.97
CCOC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255389	1	44	-1.0	-44.06	364.00	5.11	-38.95
CCOC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255390	0	41	-1.0	-46.77	336.30	4.37	-42.40
CCOC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255390	1	41	-1.0	-46.83	336.36	4.40	-42.43
CCOC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255391	0	48	-1.0	-47.72	388.57	7.23	-40.49
CCOC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255391	1	48	-1.0	-47.65	388.63	7.22	-40.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020255392	0	45	-1.0	-41.32	368.86	6.44	-34.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020255392	1	45	-1.0	-41.32	368.91	6.45	-34.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020255393	0	42	-1.0	-42.84	347.36	5.65	-37.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020255393	1	42	-1.0	-42.81	347.42	5.68	-37.13
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020255394	0	40	-1.0	-46.74	322.78	2.17	-44.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020255394	1	40	-1.0	-46.76	322.83	2.18	-44.58
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020255395	0	44	-1.0	-46.98	361.51	4.06	-42.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020255395	1	44	-1.0	-46.86	361.57	4.04	-42.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C3OCOC3=C2)CC1	REAL300020255396	0	51	-1.0	-44.95	407.56	5.32	-39.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C3OCOC3=C2)CC1	REAL300020255396	1	51	-1.0	-44.92	407.61	5.33	-39.59
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C3OCOC3=C2)CC1	REAL300020255397	0	48	-1.0	-47.07	386.07	4.53	-42.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C3OCOC3=C2)CC1	REAL300020255397	1	48	-1.0	-47.10	386.12	4.56	-42.54
CCOC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255398	0	45	-1.0	-46.61	363.44	7.03	-39.58
CCOC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255398	1	45	-1.0	-46.64	363.50	7.05	-39.59
CCOC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255399	0	42	-1.0	-48.67	341.97	6.24	-42.43
CCOC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255399	1	42	-1.0	-48.71	342.03	6.26	-42.45
CCOC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255400	0	49	-1.0	-48.33	397.16	9.06	-39.27
CCOC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255400	1	49	-1.0	-48.26	397.19	9.05	-39.21
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020255401	0	43	-1.0	-45.10	350.78	6.05	-39.05
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020255401	1	43	-1.0	-45.10	350.72	6.03	-39.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020255402	0	40	-1.0	-47.63	329.18	5.27	-42.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020255402	1	40	-1.0	-47.65	329.13	5.24	-42.41
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020255403	0	47	-1.0	-47.49	381.57	8.12	-39.37
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020255403	1	47	-1.0	-47.47	381.53	8.13	-39.34
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255404	0	43	-1.0	-42.24	344.07	8.16	-34.08
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255404	1	43	-1.0	-42.28	344.12	8.15	-34.13
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020255405	0	44	-1.0	-44.09	354.40	5.82	-38.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020255405	1	44	-1.0	-44.12	354.46	5.83	-38.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020255406	0	41	-1.0	-47.12	332.80	5.03	-42.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020255406	1	41	-1.0	-47.09	332.86	5.06	-42.03
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020255407	0	48	-1.0	-46.48	385.20	7.92	-38.56
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020255407	1	48	-1.0	-46.44	385.24	7.91	-38.53
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1C	REAL300020255408	0	51	-1.0	-41.26	397.55	8.33	-32.93
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1C	REAL300020255408	1	51	-1.0	-41.28	397.60	8.34	-32.94
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1C	REAL300020255409	0	48	-1.0	-43.75	375.93	7.54	-36.21
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1C	REAL300020255409	1	48	-1.0	-43.79	375.99	7.57	-36.22
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020255410	0	44	-1.0	-42.70	368.23	6.87	-35.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020255410	1	44	-1.0	-42.69	368.29	6.88	-35.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020255411	0	41	-1.0	-44.08	345.68	6.04	-38.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020255411	1	41	-1.0	-44.12	345.74	6.06	-38.06
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(OC(F)F)C=C2)C1	REAL300020255412	0	45	-1.0	-47.18	383.14	5.50	-41.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(OC(F)F)C=C2)C1	REAL300020255412	1	45	-1.0	-47.16	383.20	5.52	-41.64
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020255413	0	40	-1.0	-44.79	340.07	4.33	-40.46
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020255413	1	40	-1.0	-44.83	340.13	4.34	-40.49
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020255414	0	37	-1.0	-46.85	317.99	3.73	-43.12
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020255414	1	37	-1.0	-46.89	318.05	3.75	-43.14
COC(=O)C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020255415	0	44	-1.0	-47.53	369.83	6.63	-40.90
COC(=O)C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020255415	1	44	-1.0	-47.47	369.88	6.63	-40.84
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020255416	0	44	-1.0	-48.29	359.21	5.15	-43.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020255416	1	44	-1.0	-48.31	359.26	5.17	-43.14
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020255417	0	41	-1.0	-50.31	337.72	4.37	-45.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020255417	1	41	-1.0	-50.30	337.77	4.39	-45.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020255418	0	49	0.0	-63.49	366.75	7.45	-56.04
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020255418	1	49	0.0	-63.50	366.80	7.46	-56.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020255419	0	46	0.0	-60.82	346.25	6.68	-54.14
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020255419	1	46	0.0	-60.84	346.30	6.70	-54.14
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020255420	0	53	0.0	-68.45	398.75	9.53	-58.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020255420	1	53	0.0	-68.45	398.79	9.52	-58.93
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255421	0	45	-1.0	-42.31	368.12	9.38	-32.93
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255421	1	45	-1.0	-42.33	368.18	9.40	-32.93
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255422	0	42	-1.0	-45.99	347.62	8.66	-37.33
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255422	1	42	-1.0	-45.97	347.56	8.64	-37.33
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255423	0	49	-1.0	-44.75	399.96	11.51	-33.24
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255423	1	49	-1.0	-44.73	399.97	11.50	-33.23
CC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255424	0	52	0.0	-69.26	399.06	9.55	-59.71
CC1=CC=CC=C1CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255424	1	51	-1.0	-40.70	404.57	7.46	-33.24
CC1=CC=CC=C1CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255424	1	51	-1.0	-40.71	404.63	7.47	-33.24
CC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255425	0	49	0.0	-68.05	378.65	8.80	-59.25
CC1=CC=CC=C1CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255425	1	48	-1.0	-43.91	379.15	6.59	-37.32
CC1=CC=CC=C1CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255425	1	48	-1.0	-43.95	379.21	6.62	-37.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020255426	0	48	-1.0	-42.79	398.23	7.17	-35.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020255426	1	48	-1.0	-42.79	398.28	7.18	-35.61
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020255427	0	45	-1.0	-43.45	381.63	6.19	-37.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020255427	1	45	-1.0	-43.49	381.69	6.22	-37.27
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=C(F)C=CC=C2Cl)CC1	REAL300020255428	0	45	-1.0	-45.26	374.45	6.09	-39.17
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=C(F)C=CC=C2Cl)CC1	REAL300020255428	1	45	-1.0	-45.29	374.50	6.12	-39.17
CN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255429	0	36	-1.0	-39.61	330.65	6.92	-32.69
CN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255429	1	36	-1.0	-39.63	330.71	6.93	-32.70
CN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255430	0	33	-1.0	-43.78	309.26	6.13	-37.65
CN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255430	1	33	-1.0	-43.75	309.31	6.15	-37.60
CN(CC1=CC=C(Cl)S1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255431	0	40	-1.0	-42.15	361.47	9.01	-33.14
CN(CC1=CC=C(Cl)S1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255431	1	40	-1.0	-42.11	361.51	9.00	-33.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC2=CC=CC=C2)CC1	REAL300020255432	0	52	-1.0	-44.79	412.71	6.44	-38.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC2=CC=CC=C2)CC1	REAL300020255432	1	52	-1.0	-44.80	412.77	6.46	-38.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC2=CC=CC=C2)CC1	REAL300020255432	1	53	0.0	-71.94	412.81	8.68	-63.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC2=CC=CC=C2)CC1	REAL300020255433	0	49	-1.0	-47.04	391.22	5.66	-41.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC2=CC=CC=C2)CC1	REAL300020255433	1	49	-1.0	-47.06	391.27	5.68	-41.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC2=CC=CC=C2)CC1	REAL300020255433	1	50	0.0	-71.58	392.40	7.93	-63.65
CN(CC1=CC=C(Br)S1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255434	0	36	-1.0	-39.56	335.28	7.02	-32.54
CN(CC1=CC=C(Br)S1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255434	1	36	-1.0	-39.54	335.34	7.03	-32.51
CN(CC1=CC=C(Br)S1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255435	0	33	-1.0	-43.77	313.89	6.24	-37.53
CN(CC1=CC=C(Br)S1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255435	1	33	-1.0	-43.72	313.95	6.26	-37.46
COC1=CC=C(F)C=C1CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255436	0	49	-1.0	-45.71	390.21	5.48	-40.23
COC1=CC=C(F)C=C1CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255436	1	49	-1.0	-45.75	390.27	5.51	-40.24
COC1=CC=C(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020255437	0	47	-1.0	-43.59	382.84	6.10	-37.49
COC1=CC=C(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020255437	1	47	-1.0	-43.60	382.89	6.11	-37.49
COC1=CC=C(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020255438	0	44	-1.0	-44.61	366.31	5.38	-39.23
COC1=CC=C(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020255438	1	44	-1.0	-44.61	366.36	5.40	-39.21
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255439	0	55	0.0	-66.95	416.54	10.14	-56.81
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255440	0	52	0.0	-62.01	392.24	9.25	-52.76
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255440	1	52	0.0	-62.03	392.30	9.28	-52.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020255441	0	50	-1.0	-42.38	407.19	8.37	-34.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020255441	1	50	-1.0	-42.33	407.25	8.38	-33.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020255442	0	47	-1.0	-44.97	381.87	7.47	-37.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020255442	1	47	-1.0	-44.99	381.93	7.50	-37.49
CN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255443	0	39	-1.0	-41.28	341.42	6.83	-34.45
CN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255443	1	39	-1.0	-41.28	341.47	6.84	-34.44
CN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255444	0	36	-1.0	-42.63	320.99	6.12	-36.51
CN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255444	1	36	-1.0	-42.65	320.93	6.10	-36.55
CN(CCC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255445	0	43	-1.0	-43.29	373.59	8.94	-34.35
CN(CCC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255445	1	43	-1.0	-43.31	373.64	8.94	-34.37
CC1=CC=C(S(=O)(=O)NCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020255446	0	47	-1.0	-48.28	406.86	3.25	-45.03
CC1=CC=C(S(=O)(=O)NCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020255446	1	47	-1.0	-48.29	406.92	3.28	-45.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020255447	0	52	0.0	-73.39	397.51	8.75	-64.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020255447	1	52	0.0	-68.11	401.74	9.16	-58.95
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020255447	1	52	0.0	-73.39	397.56	8.76	-64.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020255447	1	52	0.0	-68.13	401.80	9.18	-58.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020255448	0	49	0.0	-70.05	376.00	7.95	-62.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020255448	1	49	0.0	-65.47	381.25	8.41	-57.06
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020255448	1	49	0.0	-70.08	376.06	7.98	-62.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020255448	1	49	0.0	-65.49	381.31	8.43	-57.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020255449	0	42	-1.0	-53.55	353.47	2.81	-50.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020255449	1	42	-1.0	-53.53	353.52	2.82	-50.71
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020255450	0	39	-1.0	-58.17	331.97	2.02	-56.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020255450	1	39	-1.0	-58.17	332.03	2.05	-56.12
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020255451	0	46	-1.0	-55.10	382.65	4.88	-50.22
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020255451	1	46	-1.0	-55.10	382.72	4.88	-50.22
CCC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255452	0	51	-1.0	-41.59	399.57	7.85	-33.74
CCC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255452	1	51	-1.0	-41.59	399.63	7.86	-33.73
CCC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255453	0	48	-1.0	-42.54	383.82	7.04	-35.50
CCC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255453	1	48	-1.0	-42.54	383.88	7.06	-35.48
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020255454	0	44	-1.0	-44.12	358.60	5.88	-38.24
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020255454	1	44	-1.0	-44.15	358.55	5.87	-38.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020255455	0	41	-1.0	-46.26	336.01	5.07	-41.19
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020255455	1	41	-1.0	-46.27	335.95	5.05	-41.22
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255456	0	43	-1.0	-43.95	346.42	6.85	-37.10
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255456	1	43	-1.0	-43.98	346.48	6.86	-37.12
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255457	0	40	-1.0	-47.55	326.00	6.13	-41.42
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255457	1	40	-1.0	-47.55	325.94	6.10	-41.45
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255458	0	47	-1.0	-46.17	378.37	8.98	-37.19
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255458	1	47	-1.0	-46.13	378.42	8.97	-37.16
CC1=C(C)SC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020255459	0	47	-1.0	-43.43	387.91	6.10	-37.33
CC1=C(C)SC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020255459	1	47	-1.0	-43.44	387.97	6.11	-37.33
CC1=C(C)SC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020255460	0	44	-1.0	-44.48	365.31	5.26	-39.22
CC1=C(C)SC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020255460	1	44	-1.0	-44.49	365.37	5.29	-39.20
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255461	0	42	-1.0	-42.12	352.68	7.80	-34.32
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255461	1	42	-1.0	-42.15	352.73	7.81	-34.34
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255462	0	39	-1.0	-43.73	330.14	7.00	-36.73
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255462	1	39	-1.0	-43.72	330.08	6.98	-36.74
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255463	0	46	-1.0	-44.54	383.49	9.89	-34.65
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255463	1	46	-1.0	-44.48	383.52	9.88	-34.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020255464	0	42	-1.0	-41.43	349.73	5.60	-35.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020255464	1	42	-1.0	-41.42	349.79	5.61	-35.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020255465	0	39	-1.0	-43.87	328.14	4.81	-39.06
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020255465	1	39	-1.0	-43.90	328.20	4.84	-39.06
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020255466	0	46	-1.0	-43.91	380.54	7.70	-36.21
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020255466	1	46	-1.0	-43.91	380.59	7.69	-36.22
COCCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255467	0	50	-1.0	-44.47	414.14	3.59	-40.88
COCCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255467	1	50	-1.0	-44.52	414.19	3.60	-40.92
COCCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255468	0	47	-1.0	-46.01	393.65	2.86	-43.15
COCCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255468	1	47	-1.0	-45.99	393.71	2.89	-43.10
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255469	0	51	0.0	-66.96	375.90	7.58	-59.38
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255469	1	51	0.0	-67.00	375.96	7.60	-59.40
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255470	0	48	0.0	-65.03	355.41	6.83	-58.20
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255470	1	48	0.0	-65.02	355.47	6.85	-58.17
CC[NH+](CC)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255471	0	55	0.0	-71.00	407.98	9.66	-61.34
CC[NH+](CC)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255471	1	55	0.0	-70.94	408.01	9.65	-61.29
CC1=NC=CN=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255472	0	46	-1.0	-42.41	376.61	4.80	-37.61
CC1=NC=CN=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255472	1	46	-1.0	-42.45	376.67	4.81	-37.64
CC1=NC=CN=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255473	0	43	-1.0	-46.39	351.06	4.16	-42.23
CC1=NC=CN=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255473	1	43	-1.0	-46.39	351.12	4.19	-42.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020255474	0	48	-1.0	-40.43	386.17	7.09	-33.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020255474	1	48	-1.0	-40.44	386.23	7.10	-33.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020255475	0	45	-1.0	-43.10	364.70	6.28	-36.82
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020255475	1	45	-1.0	-43.13	364.76	6.30	-36.83
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255476	0	39	-1.0	-40.16	334.90	7.26	-32.90
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255476	1	39	-1.0	-40.13	334.96	7.28	-32.85
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255477	0	36	-1.0	-42.87	314.40	6.54	-36.33
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255477	1	36	-1.0	-42.85	314.34	6.52	-36.33
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255478	0	43	-1.0	-42.28	368.89	9.30	-32.98
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255478	1	43	-1.0	-42.25	368.93	9.30	-32.95
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255479	0	45	-1.0	-39.95	354.20	7.26	-32.69
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255479	1	45	-1.0	-39.98	354.26	7.28	-32.70
CCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255480	0	49	-1.0	-43.37	375.98	9.05	-34.32
CCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255480	1	49	-1.0	-43.38	376.01	9.04	-34.34
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255481	0	49	-1.0	-41.50	406.71	7.80	-33.70
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255481	1	49	-1.0	-41.50	406.76	7.81	-33.69
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255482	0	46	-1.0	-43.58	385.28	6.98	-36.60
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255482	1	46	-1.0	-43.63	385.33	7.00	-36.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020255483	0	47	-1.0	-39.88	379.14	7.02	-32.86
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020255483	1	47	-1.0	-39.87	379.20	7.04	-32.83
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020255484	0	44	-1.0	-41.16	358.69	6.25	-34.91
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020255484	1	44	-1.0	-41.16	358.75	6.28	-34.88
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020255485	0	51	-1.0	-42.21	409.38	9.11	-33.10
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020255485	1	51	-1.0	-42.19	409.43	9.11	-33.08
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255486	0	39	-1.0	-42.84	333.82	5.70	-37.14
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255486	1	39	-1.0	-42.85	333.88	5.72	-37.13
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255487	0	36	-1.0	-46.81	313.26	4.94	-41.87
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255487	1	36	-1.0	-46.84	313.32	4.97	-41.87
CN(CC1=NC=C(Cl)N1C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255488	0	43	-1.0	-43.09	371.59	8.03	-35.06
CN(CC1=NC=C(Cl)N1C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255488	1	43	-1.0	-42.99	371.63	8.03	-34.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020255489	0	47	-1.0	-40.18	358.70	8.56	-31.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020255489	1	47	-1.0	-40.22	358.75	8.58	-31.64
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020255490	0	44	-1.0	-42.87	338.25	7.82	-35.05
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020255490	1	44	-1.0	-42.90	338.31	7.84	-35.06
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020255491	0	51	-1.0	-42.86	390.67	10.68	-32.18
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020255491	1	51	-1.0	-42.86	390.72	10.67	-32.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020255492	0	53	0.0	-65.09	383.78	8.94	-56.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020255492	1	53	0.0	-65.10	383.72	8.93	-56.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020255493	0	50	0.0	-62.13	362.22	8.13	-54.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020255493	1	50	0.0	-62.15	362.28	8.16	-53.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020255494	0	44	-1.0	-42.84	382.29	7.21	-35.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020255494	1	44	-1.0	-42.88	382.35	7.22	-35.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020255495	0	41	-1.0	-45.08	359.12	6.59	-38.49
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020255495	1	41	-1.0	-45.07	359.18	6.61	-38.46
CN(CC1=CC=C(S(C)=O)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255496	0	44	-1.0	-50.41	374.28	5.72	-44.69
CN(CC1=CC=C(S(C)=O)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255496	1	44	-1.0	-50.45	374.34	5.74	-44.71
CN(CC1=CC=C(S(C)=O)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255497	0	41	-1.0	-51.85	353.74	4.97	-46.88
CN(CC1=CC=C(S(C)=O)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255497	1	41	-1.0	-51.86	353.80	5.00	-46.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CSC=C2)CC1	REAL300020255498	0	47	-1.0	-47.16	399.96	5.84	-41.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CSC=C2)CC1	REAL300020255498	1	47	-1.0	-47.15	400.01	5.85	-41.30
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CSC=C2)CC1	REAL300020255499	0	44	-1.0	-51.25	373.46	5.12	-46.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CSC=C2)CC1	REAL300020255499	1	44	-1.0	-51.21	373.51	5.15	-46.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CS2)CC1	REAL300020255500	0	47	-1.0	-46.48	394.67	5.96	-40.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CS2)CC1	REAL300020255500	1	47	-1.0	-46.47	394.72	5.97	-40.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CS2)CC1	REAL300020255501	0	44	-1.0	-47.60	379.26	5.13	-42.47
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CS2)CC1	REAL300020255501	1	44	-1.0	-47.59	379.32	5.15	-42.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC2CCCC2)CC1	REAL300020255502	0	56	-1.0	-47.13	428.84	7.39	-39.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC2CCCC2)CC1	REAL300020255502	1	56	-1.0	-47.18	428.89	7.40	-39.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC2CCCC2)CC1	REAL300020255503	0	53	-1.0	-48.52	408.42	6.63	-41.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC2CCCC2)CC1	REAL300020255503	1	53	-1.0	-48.53	408.48	6.65	-41.88
CC1=CC(C(=O)NC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=NO1	REAL300020255504	0	49	-1.0	-46.04	403.16	5.04	-41.00
CC1=CC(C(=O)NC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=NO1	REAL300020255504	1	49	-1.0	-46.00	403.22	5.06	-40.94
CC1=CC(C(=O)NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=NO1	REAL300020255505	0	46	-1.0	-48.50	381.66	4.25	-44.25
CC1=CC(C(=O)NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=NO1	REAL300020255505	1	46	-1.0	-48.54	381.72	4.27	-44.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)OC(C)(C)C)C1	REAL300020255506	0	56	-1.0	-45.91	433.50	6.01	-39.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)OC(C)(C)C)C1	REAL300020255506	1	56	-1.0	-45.95	433.56	6.03	-39.92
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)OC(C)(C)C)C1	REAL300020255507	0	53	-1.0	-48.58	412.00	5.23	-43.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)OC(C)(C)C)C1	REAL300020255507	1	53	-1.0	-48.58	412.06	5.25	-43.33
CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255508	0	46	-1.0	-46.21	366.19	4.51	-41.70
CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255508	1	46	-1.0	-46.21	366.25	4.52	-41.69
CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255509	0	43	-1.0	-46.13	351.84	3.70	-42.43
CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255509	1	43	-1.0	-46.13	351.90	3.73	-42.40
CCNC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255510	0	50	-1.0	-46.36	404.92	6.40	-39.96
CCNC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255510	1	50	-1.0	-46.40	404.99	6.38	-40.02
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CCCCC2)CC1	REAL300020255511	0	56	-1.0	-46.04	428.45	7.19	-38.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CCCCC2)CC1	REAL300020255511	1	56	-1.0	-46.06	428.51	7.21	-38.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CCCCC2)CC1	REAL300020255512	0	53	-1.0	-46.17	406.95	6.40	-39.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CCCCC2)CC1	REAL300020255512	1	53	-1.0	-46.16	407.01	6.42	-39.74
CC1=CC=C(CNC(=O)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255513	0	53	-1.0	-49.50	427.10	7.43	-42.07
CC1=CC=C(CNC(=O)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255513	1	53	-1.0	-49.50	427.15	7.45	-42.05
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255514	0	43	-1.0	-47.16	346.84	3.83	-43.33
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255514	1	43	-1.0	-47.17	346.90	3.85	-43.32
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255515	0	40	-1.0	-49.08	332.47	3.03	-46.05
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255515	1	40	-1.0	-49.11	332.53	3.06	-46.05
CC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255516	0	47	-1.0	-49.26	385.55	5.73	-43.53
CC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255516	1	47	-1.0	-49.29	385.62	5.71	-43.58
CC1=CC=C(C(=O)NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)S1	REAL300020255517	0	47	-1.0	-49.44	394.97	5.96	-43.48
CC1=CC=C(C(=O)NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)S1	REAL300020255517	1	47	-1.0	-49.41	395.03	5.98	-43.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020255518	0	50	-1.0	-42.60	394.02	4.38	-38.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020255518	1	50	-1.0	-42.65	394.08	4.39	-38.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020255519	0	47	-1.0	-43.62	373.49	3.63	-39.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020255519	1	47	-1.0	-43.65	373.55	3.66	-39.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)C1	REAL300020255520	0	53	-1.0	-45.59	418.12	5.06	-40.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)C1	REAL300020255520	1	53	-1.0	-45.66	418.18	5.08	-40.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)C1	REAL300020255521	0	50	-1.0	-49.06	392.81	4.17	-44.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)C1	REAL300020255521	1	50	-1.0	-49.09	392.86	4.19	-44.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2=CC=C(F)C=C2)C1	REAL300020255522	0	46	-1.0	-47.98	386.39	4.77	-43.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2=CC=C(F)C=C2)C1	REAL300020255522	1	46	-1.0	-47.98	386.44	4.80	-43.18
CCCCCCNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255523	0	58	-1.0	-48.73	459.90	7.34	-41.39
CCCCCCNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255523	1	58	-1.0	-48.73	459.96	7.36	-41.37
CCCCCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255524	0	55	-1.0	-50.21	438.40	6.56	-43.65
CCCCCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255524	1	55	-1.0	-50.16	438.46	6.58	-43.58
CN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255525	0	36	-1.0	-41.02	312.80	6.26	-34.76
CN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255525	1	36	-1.0	-41.05	312.86	6.28	-34.77
CN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255526	0	40	-1.0	-43.62	344.65	8.40	-35.22
CN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255526	1	40	-1.0	-43.57	344.67	8.39	-35.18
CN(CC1=CC=C(Cl)C=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255527	0	39	-1.0	-39.55	352.72	8.24	-31.31
CN(CC1=CC=C(Cl)C=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255527	1	39	-1.0	-39.53	352.78	8.25	-31.28
CN(CC1=CC=C(Cl)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255528	0	36	-1.0	-42.40	332.17	7.47	-34.93
CN(CC1=CC=C(Cl)C=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255528	1	36	-1.0	-42.38	332.23	7.49	-34.89
COC1=CC=C(OC)C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020255529	0	53	-1.0	-46.58	413.18	4.70	-41.88
COC1=CC=C(OC)C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020255529	1	53	-1.0	-46.53	413.24	4.73	-41.80
CC(C)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255530	0	46	-1.0	-47.32	362.25	5.65	-41.67
CC(C)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255530	1	46	-1.0	-47.38	362.31	5.66	-41.72
CC(C)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255531	0	43	-1.0	-46.33	340.65	4.87	-41.46
CC(C)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255531	1	43	-1.0	-46.36	340.71	4.89	-41.47
CC(C)C(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255532	0	50	-1.0	-47.61	392.23	7.72	-39.89
CC(C)C(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255532	1	50	-1.0	-47.59	392.27	7.71	-39.88
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N2CCOCC2)CC1	REAL300020255533	0	51	-1.0	-45.20	394.75	5.09	-40.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N2CCOCC2)CC1	REAL300020255533	1	51	-1.0	-45.24	394.81	5.11	-40.13
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N2CCOCC2)CC1	REAL300020255534	0	48	-1.0	-45.65	373.26	4.30	-41.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N2CCOCC2)CC1	REAL300020255534	1	48	-1.0	-45.64	373.31	4.32	-41.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020255535	0	45	-1.0	-44.31	365.09	6.82	-37.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020255535	1	45	-1.0	-44.31	365.15	6.83	-37.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020255536	0	42	-1.0	-48.47	341.98	6.00	-42.47
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020255536	1	42	-1.0	-48.44	342.03	6.03	-42.41
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020255537	0	47	-1.0	-46.67	366.76	6.36	-40.31
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020255537	1	47	-1.0	-46.66	366.81	6.37	-40.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020255538	0	44	-1.0	-51.54	346.34	5.60	-45.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020255538	1	44	-1.0	-51.55	346.40	5.62	-45.93
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020255539	0	51	-1.0	-49.03	398.71	8.46	-40.57
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020255539	1	51	-1.0	-49.04	398.76	8.46	-40.58
CN(CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1)C(=O)OC(C)(C)C	REAL300020255540	0	56	-1.0	-48.86	433.82	7.55	-41.31
CN(CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1)C(=O)OC(C)(C)C	REAL300020255540	1	56	-1.0	-48.88	433.88	7.58	-41.30
COC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255541	0	44	-1.0	-43.31	355.85	6.55	-36.76
COC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255541	1	44	-1.0	-43.29	355.90	6.54	-36.75
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255542	0	43	-1.0	-41.62	340.79	5.21	-36.41
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255542	1	43	-1.0	-41.64	340.84	5.22	-36.42
COCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255543	0	47	-1.0	-43.75	372.74	7.31	-36.44
COCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255543	1	47	-1.0	-43.74	372.79	7.31	-36.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300020255544	0	48	-1.0	-47.86	398.18	6.99	-40.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300020255544	1	48	-1.0	-47.85	398.12	6.97	-40.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020255545	0	57	0.0	-74.34	435.64	7.79	-66.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020255545	1	57	0.0	-74.39	435.58	7.81	-66.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020255545	1	57	0.0	-74.33	435.70	7.82	-66.51
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020255545	1	57	0.0	-74.38	435.64	7.83	-66.55
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020255546	0	39	-1.0	-51.34	327.87	4.82	-46.52
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020255546	1	39	-1.0	-51.29	327.64	4.82	-46.47
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020255547	0	55	0.0	-62.68	418.55	9.74	-52.94
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020255547	1	55	0.0	-63.05	416.79	9.95	-53.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020255548	0	52	0.0	-61.26	395.90	8.92	-52.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020255548	1	52	0.0	-61.86	389.53	9.12	-52.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020255548	1	52	0.0	-61.28	395.96	8.95	-52.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020255548	1	52	0.0	-61.83	389.58	9.15	-52.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020255549	0	52	0.0	-60.93	381.80	8.35	-52.58
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020255549	1	52	0.0	-60.95	381.86	8.36	-52.59
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020255550	0	49	0.0	-61.04	367.45	7.54	-53.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020255550	1	49	0.0	-61.07	367.51	7.57	-53.50
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020255551	0	56	0.0	-66.25	413.72	10.46	-55.79
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020255551	1	56	0.0	-66.25	413.76	10.45	-55.80
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255552	0	41	-1.0	-41.85	338.24	7.86	-33.99
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255552	1	41	-1.0	-41.87	338.29	7.84	-34.03
CN(CC1CCCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255553	0	43	-1.0	-41.25	337.01	5.36	-35.89
CN(CC1CCCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255553	1	43	-1.0	-41.29	337.07	5.37	-35.92
CN(CC1CCCOC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255554	0	47	-1.0	-43.80	368.86	7.48	-36.32
CN(CC1CCCOC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255554	1	47	-1.0	-43.74	368.89	7.47	-36.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020255555	0	49	-1.0	-41.42	374.69	9.09	-32.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020255555	1	49	-1.0	-41.39	374.74	9.11	-32.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020255556	0	46	-1.0	-42.87	352.11	8.27	-34.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020255556	1	46	-1.0	-42.90	352.16	8.29	-34.61
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020255557	0	49	-1.0	-40.32	391.89	9.45	-30.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020255557	1	49	-1.0	-40.35	391.95	9.47	-30.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020255558	0	46	-1.0	-42.52	371.42	8.68	-33.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020255558	1	46	-1.0	-42.53	371.48	8.70	-33.83
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020255559	0	39	-1.0	-47.32	334.65	5.61	-41.71
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020255559	1	39	-1.0	-47.29	334.69	5.60	-41.69
CC(C)N1CCOC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C1	REAL300020255560	0	57	-1.0	-45.02	417.37	2.60	-42.42
CC(C)[N@@H+]1CCOC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C1	REAL300020255560	1	58	0.0	-70.11	422.95	5.03	-65.08
CC(C)[N@H+]1CCOC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C1	REAL300020255560	1	58	0.0	-68.80	428.22	4.74	-64.06
CC(C)N1CCOC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C1	REAL300020255560	1	57	-1.0	-45.05	417.43	2.62	-42.43
CN(C)C(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255561	0	48	-1.0	-47.77	377.61	3.44	-44.33
CN(C)C(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255561	1	48	-1.0	-47.77	377.67	3.45	-44.32
CN(C)C(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255562	0	45	-1.0	-49.84	356.94	2.63	-47.21
CN(C)C(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255562	1	45	-1.0	-49.84	357.00	2.66	-47.18
CN(C)C(=O)CN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255563	0	52	-1.0	-52.17	408.87	5.52	-46.65
CN(C)C(=O)CN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255563	1	52	-1.0	-52.10	408.91	5.51	-46.59
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N2CCCC2)CC1	REAL300020255564	0	52	-1.0	-48.88	411.32	4.69	-44.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N2CCCC2)CC1	REAL300020255564	1	52	-1.0	-48.89	411.38	4.70	-44.19
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N2CCCC2)CC1	REAL300020255565	0	49	-1.0	-50.79	390.43	3.96	-46.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N2CCCC2)CC1	REAL300020255565	1	49	-1.0	-50.78	390.49	3.98	-46.80
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255566	0	39	-1.0	-43.33	325.53	4.91	-38.42
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255566	1	39	-1.0	-43.31	325.47	4.90	-38.41
CN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255567	0	43	-1.0	-47.03	357.52	7.02	-40.01
CN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255567	1	43	-1.0	-47.09	357.48	7.03	-40.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020255568	0	45	-1.0	-40.76	376.59	5.61	-35.15
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020255568	1	45	-1.0	-40.73	376.64	5.62	-35.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020255568	1	46	0.0	-68.84	373.72	8.05	-60.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020255569	0	42	-1.0	-44.13	350.71	5.01	-39.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020255569	1	42	-1.0	-44.16	350.77	5.04	-39.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020255569	1	43	0.0	-65.04	358.14	7.25	-57.79
COC1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1F	REAL300020255570	0	49	-1.0	-48.26	394.88	5.06	-43.20
COC1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1F	REAL300020255570	1	49	-1.0	-48.23	394.94	5.09	-43.14
COC1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1OC	REAL300020255571	0	53	-1.0	-48.75	417.90	4.88	-43.87
COC1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1OC	REAL300020255571	1	53	-1.0	-48.76	417.96	4.91	-43.85
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255572	0	42	-1.0	-44.05	349.34	5.82	-38.23
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255572	1	42	-1.0	-44.06	349.39	5.84	-38.22
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255573	0	39	-1.0	-47.34	327.63	5.07	-42.27
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255573	1	39	-1.0	-47.28	327.58	5.04	-42.24
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255574	0	46	-1.0	-46.39	380.19	7.92	-38.47
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255574	1	46	-1.0	-46.43	380.22	7.91	-38.52
COC1=CC(C)=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1OC	REAL300020255575	0	50	-1.0	-43.46	400.21	7.30	-36.16
COC1=CC(C)=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1OC	REAL300020255575	1	50	-1.0	-43.45	400.27	7.31	-36.14
COC1=CC(C)=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1OC	REAL300020255576	0	47	-1.0	-45.77	378.72	6.51	-39.26
COC1=CC(C)=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1OC	REAL300020255576	1	47	-1.0	-45.78	378.77	6.54	-39.24
CCCCC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C2=CC=CC=C2O1	REAL300020255577	0	54	-1.0	-42.93	429.40	10.40	-32.53
CCCCC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C2=CC=CC=C2O1	REAL300020255577	1	54	-1.0	-42.95	429.46	10.42	-32.53
CCCCC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C2=CC=CC=C2O1	REAL300020255578	0	51	-1.0	-44.56	414.21	9.80	-34.76
CCCCC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C2=CC=CC=C2O1	REAL300020255578	1	51	-1.0	-44.58	414.26	9.82	-34.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1	REAL300020255579	0	52	0.0	-70.35	403.41	10.29	-60.06
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1	REAL300020255579	1	52	0.0	-70.36	403.47	10.31	-60.05
CC1=CC(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=NO1	REAL300020255580	0	47	-1.0	-45.92	379.55	4.81	-41.11
CC1=CC(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=NO1	REAL300020255580	1	47	-1.0	-45.89	379.61	4.82	-41.07
CC1=CC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=NO1	REAL300020255581	0	44	-1.0	-47.91	358.06	4.02	-43.89
CC1=CC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=NO1	REAL300020255581	1	44	-1.0	-47.90	358.12	4.05	-43.85
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255582	0	41	-1.0	-42.80	355.07	6.84	-35.96
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255582	1	41	-1.0	-42.84	355.13	6.85	-35.99
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255583	0	38	-1.0	-45.21	334.57	6.11	-39.10
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255583	1	38	-1.0	-45.16	334.51	6.09	-39.07
COC1=CC=C(C)C=C1CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255584	0	55	-1.0	-42.66	426.60	6.87	-35.79
COC1=CC=C(C)C=C1CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255584	1	55	-1.0	-42.64	426.66	6.89	-35.75
COC1=CC=C(C)C=C1C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255584	1	56	0.0	-64.85	439.30	8.95	-55.90
COC1=CC=C(C)C=C1CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255585	0	52	-1.0	-45.12	405.11	6.09	-39.03
COC1=CC=C(C)C=C1CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255585	1	52	-1.0	-45.12	405.16	6.11	-39.01
COC1=CC=C(C)C=C1C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255585	1	53	0.0	-63.47	417.80	8.17	-55.30
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255586	0	46	-1.0	-43.75	374.21	7.21	-36.54
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255586	1	46	-1.0	-43.74	374.27	7.22	-36.52
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255587	0	43	-1.0	-47.44	352.78	6.45	-40.99
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255587	1	43	-1.0	-47.45	352.72	6.42	-41.03
COC1=CC=C(C)C=C1CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255588	0	50	-1.0	-45.66	405.05	9.30	-36.36
COC1=CC=C(C)C=C1CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255588	1	50	-1.0	-45.64	405.06	9.29	-36.35
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255589	0	41	-1.0	-41.27	336.37	5.19	-36.08
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255589	1	41	-1.0	-41.27	336.42	5.20	-36.07
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255590	0	45	-1.0	-43.59	367.67	7.24	-36.35
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255590	1	45	-1.0	-43.52	367.73	7.23	-36.29
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020255591	0	43	-1.0	-43.38	342.64	7.73	-35.65
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020255591	1	43	-1.0	-43.37	342.71	7.70	-35.67
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255592	0	45	-1.0	-41.23	344.08	7.25	-33.98
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255592	1	45	-1.0	-41.22	344.14	7.27	-33.95
CC(C)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255593	0	49	-1.0	-42.11	379.32	9.28	-32.83
CC(C)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255593	1	49	-1.0	-42.15	379.37	9.27	-32.88
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255594	0	43	-1.0	-43.16	346.71	5.07	-38.09
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255594	1	43	-1.0	-43.16	346.77	5.08	-38.08
COCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255595	0	47	-1.0	-44.79	376.81	7.14	-37.65
COCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255595	1	47	-1.0	-44.75	376.87	7.12	-37.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020255596	0	43	-1.0	-40.38	337.70	7.11	-33.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020255596	1	43	-1.0	-40.38	337.76	7.12	-33.26
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020255597	0	47	-1.0	-43.48	363.66	9.27	-34.21
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020255597	1	47	-1.0	-43.50	363.69	9.26	-34.24
C[C@@H]1CN(CCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H](C)O1	REAL300020255598	0	51	-1.0	-41.94	392.59	3.99	-37.95
C[C@@H]1CN(CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020255598	1	51	-1.0	-41.95	392.65	4.00	-37.95
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020255598	1	52	0.0	-65.85	389.55	6.43	-59.42
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020255598	1	52	0.0	-66.07	397.49	6.48	-59.59
C[C@@H]1CN(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H](C)O1	REAL300020255599	0	48	-1.0	-43.52	377.84	2.94	-40.58
C[C@@H]1CN(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020255599	1	48	-1.0	-43.52	377.90	2.96	-40.56
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020255599	1	49	0.0	-63.85	366.95	5.61	-58.24
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020255599	1	49	0.0	-63.66	374.88	5.67	-57.99
C[C@@H]1CN(CCN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H](C)O1	REAL300020255600	0	55	-1.0	-44.55	424.46	6.10	-38.45
C[C@@H]1CN(CCN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H](C)O1	REAL300020255600	1	55	-1.0	-44.55	424.50	6.08	-38.47
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H](C)O1	REAL300020255600	1	56	0.0	-71.58	427.34	8.24	-63.34
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H](C)O1	REAL300020255600	1	56	0.0	-70.28	432.71	8.49	-61.79
CC1=CC=CC=C1C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020255601	0	47	-1.0	-43.16	375.39	7.49	-35.67
CC1=CC=CC=C1C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020255601	1	47	-1.0	-43.16	375.45	7.50	-35.66
CC1=CC=CC=C1C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020255602	0	44	-1.0	-45.13	352.78	6.66	-38.47
CC1=CC=CC=C1C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020255602	1	44	-1.0	-45.17	352.83	6.69	-38.48
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020255603	0	44	-1.0	-42.52	331.75	5.67	-36.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020255603	1	44	-1.0	-42.56	331.81	5.69	-36.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020255604	0	41	-1.0	-45.27	310.30	4.89	-40.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020255604	1	41	-1.0	-45.30	310.35	4.91	-40.39
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020255605	0	48	-1.0	-44.01	367.39	7.62	-36.39
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020255605	1	48	-1.0	-44.04	367.39	7.61	-36.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)(C2=CC=CC=C2)CC1	REAL300020255606	0	50	-1.0	-50.21	390.66	5.21	-45.00
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)(C2=CC=CC=C2)CC1	REAL300020255606	1	50	-1.0	-50.26	390.72	5.23	-45.03
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)(C2=CC=CC=C2)CC1	REAL300020255607	0	47	-1.0	-53.07	369.06	4.43	-48.64
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)(C2=CC=CC=C2)CC1	REAL300020255607	1	47	-1.0	-53.06	369.12	4.45	-48.61
CO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255608	0	41	-1.0	-43.68	332.63	5.70	-37.98
CO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255608	1	41	-1.0	-43.69	332.66	5.69	-38.00
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1C	REAL300020255609	0	46	-1.0	-42.43	359.56	8.59	-33.84
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1C	REAL300020255609	1	46	-1.0	-42.45	359.60	8.58	-33.87
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255610	0	41	-1.0	-45.47	336.35	5.72	-39.75
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255610	1	41	-1.0	-45.48	336.38	5.71	-39.77
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255611	0	46	-1.0	-42.18	362.41	8.80	-33.38
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255611	1	46	-1.0	-42.14	362.48	8.79	-33.35
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C)(C)C1	REAL300020255612	0	45	-1.0	-39.75	351.92	7.21	-32.54
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C)(C)C1	REAL300020255612	1	45	-1.0	-39.73	351.98	7.22	-32.51
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(C)(C)C1	REAL300020255613	0	49	-1.0	-41.49	383.63	9.25	-32.24
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(C)(C)C1	REAL300020255613	1	49	-1.0	-41.47	383.68	9.24	-32.23
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255614	0	45	-1.0	-39.99	368.58	7.62	-32.37
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255614	1	45	-1.0	-40.01	368.64	7.63	-32.38
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255615	0	49	-1.0	-41.96	400.75	9.73	-32.23
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255615	1	49	-1.0	-41.90	400.80	9.72	-32.18
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCS1	REAL300020255616	0	40	-1.0	-40.07	326.91	6.73	-33.34
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCS1	REAL300020255616	1	40	-1.0	-40.06	326.97	6.74	-33.32
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCS1	REAL300020255617	0	44	-1.0	-42.41	361.14	8.80	-33.61
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCS1	REAL300020255617	1	44	-1.0	-42.39	361.18	8.79	-33.60
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1C	REAL300020255618	0	43	-1.0	-43.26	343.31	7.99	-35.27
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1C	REAL300020255618	1	43	-1.0	-43.26	343.08	7.98	-35.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020255619	0	40	-1.0	-40.29	325.01	7.00	-33.29
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020255619	1	40	-1.0	-40.30	325.07	7.01	-33.29
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)(C)C1	REAL300020255620	0	44	-1.0	-42.97	356.17	9.08	-33.89
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)(C)C1	REAL300020255620	1	44	-1.0	-42.93	356.19	9.07	-33.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020255621	0	44	-1.0	-40.86	339.92	5.62	-35.24
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020255621	1	44	-1.0	-40.88	339.98	5.63	-35.25
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020255622	0	41	-1.0	-42.68	324.24	4.74	-37.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020255622	1	41	-1.0	-42.69	324.29	4.76	-37.93
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2OCCCC2C1	REAL300020255623	0	48	-1.0	-43.37	371.84	7.71	-35.66
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2OCCCC2C1	REAL300020255623	1	48	-1.0	-43.37	371.86	7.71	-35.66
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020255624	0	43	-1.0	-40.51	348.32	5.43	-35.08
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020255624	1	43	-1.0	-40.50	348.38	5.44	-35.06
CCCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020255625	0	47	-1.0	-42.88	377.55	7.51	-35.37
CCCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020255625	1	47	-1.0	-42.87	377.59	7.50	-35.37
CCCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255626	0	48	-1.0	-39.92	365.36	8.09	-31.83
CCCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255626	1	48	-1.0	-39.91	365.42	8.10	-31.81
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255627	0	45	-1.0	-44.38	338.75	7.37	-37.01
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255627	1	45	-1.0	-44.40	338.81	7.39	-37.01
CCCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255628	0	52	-1.0	-42.46	395.68	10.18	-32.28
CCCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255628	1	52	-1.0	-42.43	395.72	10.18	-32.25
CC(C)C(=O)NCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255629	0	52	-1.0	-48.52	407.65	6.03	-42.49
CC(C)C(=O)NCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255629	1	52	-1.0	-48.55	407.71	6.04	-42.51
CC(C)C(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255630	0	49	-1.0	-51.18	386.16	5.24	-45.94
CC(C)C(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255630	1	49	-1.0	-51.23	386.21	5.27	-45.96
CCCC(=O)NCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255631	0	52	-1.0	-47.72	404.86	5.55	-42.17
CCCC(=O)NCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255631	1	52	-1.0	-47.71	404.92	5.57	-42.14
CCCC(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255632	0	49	-1.0	-51.41	388.05	5.36	-46.05
CCCC(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255632	1	49	-1.0	-51.37	388.11	5.38	-45.99
CCCC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255633	0	49	-1.0	-44.51	388.60	5.42	-39.09
CCCC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255633	1	49	-1.0	-44.55	388.66	5.43	-39.12
CCCC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255634	0	46	-1.0	-44.87	374.83	4.40	-40.47
CCCC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255634	1	46	-1.0	-44.87	374.88	4.43	-40.44
CCCC(=O)NC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255635	0	53	-1.0	-46.37	422.32	7.43	-38.94
CCCC(=O)NC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255635	1	53	-1.0	-46.38	422.37	7.42	-38.96
CCCCNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255636	0	52	-1.0	-50.65	409.16	6.01	-44.64
CCCCNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255636	1	52	-1.0	-50.64	409.22	6.02	-44.62
CCCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255637	0	49	-1.0	-50.19	395.41	5.00	-45.19
CCCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255637	1	49	-1.0	-50.21	395.46	5.02	-45.19
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020255638	0	47	-1.0	-50.85	377.39	5.36	-45.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020255638	1	47	-1.0	-50.87	377.45	5.38	-45.49
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020255639	0	44	-1.0	-54.00	355.90	4.58	-49.42
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020255639	1	44	-1.0	-54.02	355.95	4.60	-49.42
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020255640	0	51	-1.0	-51.99	412.71	7.40	-44.59
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020255640	1	51	-1.0	-51.99	412.75	7.40	-44.59
CCCC(C)NC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255641	0	55	-1.0	-50.78	428.92	7.02	-43.76
CCCC(C)NC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255641	1	55	-1.0	-50.80	428.98	7.03	-43.77
CCCC(C)NC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255642	0	52	-1.0	-50.39	415.16	6.00	-44.39
CCCC(C)NC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255642	1	52	-1.0	-50.42	415.21	6.03	-44.39
CCCNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255643	0	49	-1.0	-50.75	387.67	5.24	-45.51
CCCNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255643	1	49	-1.0	-50.77	387.72	5.25	-45.52
CCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255644	0	46	-1.0	-50.44	373.91	4.22	-46.22
CCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255644	1	46	-1.0	-50.44	373.97	4.25	-46.19
CCCNC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255645	0	53	-1.0	-52.37	421.40	7.26	-45.11
CCCNC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255645	1	53	-1.0	-52.32	421.44	7.25	-45.07
CCCCCC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255646	0	55	-1.0	-46.70	431.62	6.98	-39.72
CCCCCC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255646	1	55	-1.0	-46.66	431.68	6.99	-39.67
CCCCCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255647	0	52	-1.0	-48.45	417.28	6.17	-42.28
CCCCCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255647	1	52	-1.0	-48.46	417.33	6.20	-42.26
CN1C=C(C(=O)NCC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=N1	REAL300020255648	0	53	-1.0	-49.43	427.48	5.43	-44.00
CN1C=C(C(=O)NCC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=N1	REAL300020255648	1	53	-1.0	-49.43	427.42	5.42	-44.01
CN1C=C(C(=O)NCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=N1	REAL300020255649	0	50	-1.0	-52.70	407.07	4.68	-48.02
CN1C=C(C(=O)NCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=N1	REAL300020255649	1	50	-1.0	-52.69	407.01	4.66	-48.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL300020255650	0	53	-1.0	-49.67	422.37	7.65	-42.02
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL300020255650	1	53	-1.0	-49.69	422.43	7.66	-42.03
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL300020255651	0	50	-1.0	-49.92	408.54	6.63	-43.29
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL300020255651	1	50	-1.0	-49.97	408.60	6.66	-43.31
CC(NC(=O)OC(C)(C)C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255652	0	56	-1.0	-46.31	434.62	6.04	-40.27
CC(NC(=O)OC(C)(C)C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255652	1	56	-1.0	-46.36	434.67	6.07	-40.29
CC1=CC(C(=O)NC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C(C)O1	REAL300020255653	0	53	-1.0	-46.75	426.10	6.57	-40.18
CC1=CC(C(=O)NC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C(C)O1	REAL300020255653	1	53	-1.0	-46.71	426.15	6.58	-40.13
CC1=CC(C(=O)NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C(C)O1	REAL300020255654	0	50	-1.0	-49.68	404.60	5.77	-43.91
CC1=CC(C(=O)NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C(C)O1	REAL300020255654	1	50	-1.0	-49.66	404.66	5.80	-43.86
CC1=C(C(=O)NC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=CO1	REAL300020255655	0	50	-1.0	-47.04	404.18	5.74	-41.30
CC1=C(C(=O)NC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=CO1	REAL300020255655	1	50	-1.0	-47.03	404.24	5.75	-41.28
CC1=C(C(=O)NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=CO1	REAL300020255656	0	47	-1.0	-49.88	382.69	4.94	-44.94
CC1=C(C(=O)NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=CO1	REAL300020255656	1	47	-1.0	-49.86	382.75	4.97	-44.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020255657	0	52	-1.0	-44.19	405.53	5.90	-38.29
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020255657	1	52	-1.0	-44.18	405.59	5.92	-38.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020255658	0	49	-1.0	-44.60	391.76	4.89	-39.71
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020255658	1	49	-1.0	-44.57	391.81	4.91	-39.66
CNC(=O)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255659	0	43	-1.0	-51.51	361.56	4.36	-47.15
CNC(=O)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255659	1	43	-1.0	-51.45	361.61	4.35	-47.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2CCCCC2)CC1	REAL300020255660	0	55	-1.0	-52.12	422.48	4.27	-47.85
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2CCCCC2)CC1	REAL300020255660	1	55	-1.0	-52.16	422.54	4.30	-47.86
COCCCNC(=O)C(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255661	0	55	-1.0	-52.27	429.83	1.76	-50.51
COCCCNC(=O)C(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255661	1	55	-1.0	-52.27	429.89	1.78	-50.49
CCCCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255662	0	52	-1.0	-44.88	415.29	6.00	-38.88
CCCCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255662	1	52	-1.0	-44.89	415.35	6.01	-38.88
CCCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255663	0	49	-1.0	-47.48	388.78	5.28	-42.20
CCCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255663	1	49	-1.0	-47.54	388.84	5.31	-42.23
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020255664	0	44	-1.0	-46.60	369.07	6.11	-40.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020255664	1	44	-1.0	-46.57	369.13	6.13	-40.44
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020255665	0	41	-1.0	-48.61	347.45	5.33	-43.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020255665	1	41	-1.0	-48.63	347.51	5.35	-43.28
COC1=CC2=CC=C(CN(C)C3=NN=C(CCC4=N[N-]N=N4)N3C)C=C2C=C1	REAL300020255666	0	49	-1.0	-43.27	397.45	8.68	-34.59
COC1=CC2=CC=C(CN(C)C3=NN=C(CCC4=NN=N[N-]4)N3C)C=C2C=C1	REAL300020255666	1	49	-1.0	-43.28	397.51	8.70	-34.58
COC1=CC2=CC=C(CN(C)C3=NN=C(CC4=N[N-]N=N4)N3C)C=C2C=C1	REAL300020255667	0	46	-1.0	-46.73	376.88	7.93	-38.80
COC1=CC2=CC=C(CN(C)C3=NN=C(CC4=NN=N[N-]4)N3C)C=C2C=C1	REAL300020255667	1	46	-1.0	-46.72	376.94	7.96	-38.76
CN(CC1=CSC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255668	0	36	-1.0	-40.56	312.36	6.13	-34.43
CN(CC1=CSC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255668	1	36	-1.0	-40.54	312.41	6.15	-34.39
CN(CC1=CSC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255669	0	40	-1.0	-41.63	350.97	8.04	-33.59
CN(CC1=CSC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255669	1	40	-1.0	-41.57	351.03	8.01	-33.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020255670	0	50	-1.0	-46.55	404.29	7.31	-39.24
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020255670	1	50	-1.0	-46.54	404.35	7.33	-39.21
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020255671	0	47	-1.0	-51.25	379.40	6.63	-44.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020255671	1	47	-1.0	-51.22	379.46	6.65	-44.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020255672	0	44	-1.0	-50.40	360.56	1.42	-48.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020255672	1	44	-1.0	-50.40	360.62	1.44	-48.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020255673	0	41	-1.0	-50.89	346.21	0.62	-50.27
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020255673	1	41	-1.0	-50.93	346.27	0.64	-50.29
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255674	0	41	-1.0	-53.13	357.59	4.93	-48.20
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255674	1	41	-1.0	-53.07	357.65	4.94	-48.13
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255675	0	38	-1.0	-53.51	335.94	4.16	-49.35
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255675	1	38	-1.0	-53.52	336.00	4.19	-49.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020255676	0	48	-1.0	-44.86	386.50	8.87	-35.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020255676	1	48	-1.0	-44.84	386.56	8.88	-35.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020255677	0	45	-1.0	-44.85	365.01	8.07	-36.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020255677	1	45	-1.0	-44.91	365.07	8.10	-36.81
COC1=CC=C(C(=O)C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255678	0	52	-1.0	-45.73	415.80	8.18	-37.55
COC1=CC=C(C(=O)C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255678	1	52	-1.0	-45.70	415.85	8.19	-37.51
COC1=CC=C(C(=O)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255679	0	49	-1.0	-45.47	394.30	7.39	-38.08
COC1=CC=C(C(=O)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255679	1	49	-1.0	-45.47	394.36	7.41	-38.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020255680	0	48	-1.0	-44.65	392.89	8.93	-35.72
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020255680	1	48	-1.0	-44.66	392.95	8.95	-35.71
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020255681	0	45	-1.0	-44.45	371.39	8.14	-36.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020255681	1	45	-1.0	-44.49	371.45	8.16	-36.33
CC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255682	0	48	-1.0	-41.19	380.53	7.79	-33.40
CC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255682	1	48	-1.0	-41.23	380.59	7.80	-33.43
CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255683	0	45	-1.0	-43.68	358.93	7.00	-36.68
CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255683	1	45	-1.0	-43.66	358.99	7.03	-36.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020255684	0	41	-1.0	-50.75	342.38	2.01	-48.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020255684	1	41	-1.0	-50.79	342.44	2.03	-48.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020255685	0	38	-1.0	-52.27	320.89	1.23	-51.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020255685	1	38	-1.0	-52.30	320.95	1.25	-51.05
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020255686	0	45	-1.0	-49.10	375.83	3.95	-45.15
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020255686	1	45	-1.0	-49.09	375.88	3.95	-45.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020255687	0	43	-1.0	-44.42	349.27	3.95	-40.47
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020255687	1	43	-1.0	-44.42	349.22	3.93	-40.49
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020255688	0	40	-1.0	-45.50	326.69	3.14	-42.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020255688	1	40	-1.0	-45.47	326.64	3.11	-42.36
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020255689	0	47	-1.0	-46.94	380.12	6.01	-40.93
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020255689	1	47	-1.0	-46.95	380.08	6.02	-40.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020255690	0	46	-1.0	-41.22	363.96	8.94	-32.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020255690	1	46	-1.0	-41.25	364.01	8.96	-32.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020255691	0	43	-1.0	-44.07	343.54	8.19	-35.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020255691	1	43	-1.0	-44.05	343.60	8.21	-35.84
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020255692	0	50	-1.0	-43.68	395.91	11.04	-32.64
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020255692	1	50	-1.0	-43.69	395.96	11.04	-32.65
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255693	0	45	-1.0	-42.93	367.22	9.31	-33.62
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255693	1	45	-1.0	-42.92	367.28	9.33	-33.59
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255694	0	42	-1.0	-47.20	346.01	8.71	-38.49
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255694	1	42	-1.0	-47.17	345.96	8.69	-38.48
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255695	0	49	-1.0	-44.97	398.04	11.41	-33.56
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255695	1	49	-1.0	-44.96	398.08	11.40	-33.56
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1	REAL300020255696	0	40	-1.0	-42.12	325.62	7.41	-34.71
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1	REAL300020255696	1	40	-1.0	-42.05	325.68	7.39	-34.66
COC1=CC=CC(C(=O)N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020255697	0	51	-1.0	-48.79	407.94	6.41	-42.38
COC1=CC=CC(C(=O)N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020255697	1	51	-1.0	-48.82	408.00	6.43	-42.39
COC1=CC=CC(C(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020255698	0	48	-1.0	-49.87	385.15	5.58	-44.29
COC1=CC=CC(C(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020255698	1	48	-1.0	-49.85	385.21	5.61	-44.24
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020255699	0	44	-1.0	-42.01	370.67	6.77	-35.24
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020255699	1	44	-1.0	-42.08	370.73	6.79	-35.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020255700	0	41	-1.0	-44.35	348.79	6.14	-38.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020255700	1	41	-1.0	-44.39	348.85	6.17	-38.22
COC1=CC=C(C(=O)N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255701	0	51	-1.0	-47.45	412.81	6.28	-41.17
COC1=CC=C(C(=O)N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255701	1	51	-1.0	-47.45	412.86	6.29	-41.16
COC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255702	0	48	-1.0	-50.14	387.21	5.66	-44.48
COC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255702	1	48	-1.0	-50.15	387.27	5.69	-44.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020255703	0	43	-1.0	-47.25	347.49	2.85	-44.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020255703	1	43	-1.0	-47.26	347.54	2.86	-44.40
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020255704	0	40	-1.0	-52.10	320.99	2.13	-49.97
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020255704	1	40	-1.0	-52.09	321.05	2.16	-49.93
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020255705	0	47	-1.0	-49.16	373.60	5.01	-44.15
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020255705	1	47	-1.0	-49.16	373.67	4.98	-44.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020255706	0	50	0.0	-72.95	379.20	6.08	-66.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020255706	1	50	0.0	-72.95	379.26	6.10	-66.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020255707	0	47	0.0	-70.20	357.70	5.29	-64.91
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020255707	1	47	0.0	-70.18	357.76	5.31	-64.87
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020255708	0	54	0.0	-79.38	411.13	8.22	-71.16
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020255708	1	54	0.0	-79.38	411.19	8.19	-71.19
CN(CCOCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255709	0	43	-1.0	-43.23	350.97	5.88	-37.35
CN(CCOCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255709	1	43	-1.0	-43.26	351.02	5.90	-37.36
CN(CCOCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255710	0	47	-1.0	-45.27	381.83	7.98	-37.29
CN(CCOCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255710	1	47	-1.0	-45.26	381.86	7.97	-37.29
COCCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255711	0	46	-1.0	-42.76	380.20	3.87	-38.89
COCCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255711	1	46	-1.0	-42.78	380.26	3.88	-38.90
COCCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255712	0	43	-1.0	-44.37	359.72	3.15	-41.22
COCCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255712	1	43	-1.0	-44.36	359.77	3.17	-41.19
COCCCOCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255713	0	50	-1.0	-44.40	412.38	6.00	-38.40
COCCCOCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255713	1	50	-1.0	-44.32	412.42	5.99	-38.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020255714	0	51	-1.0	-41.23	403.59	5.62	-35.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020255714	1	51	-1.0	-41.24	403.65	5.64	-35.60
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020255715	0	48	-1.0	-45.45	377.14	4.86	-40.59
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020255715	1	48	-1.0	-45.42	377.20	4.89	-40.53
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255716	0	46	-1.0	-41.66	373.88	9.63	-32.03
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255716	1	46	-1.0	-41.69	373.94	9.64	-32.05
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255717	0	43	-1.0	-42.75	352.44	8.86	-33.89
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255717	1	43	-1.0	-42.77	352.38	8.84	-33.93
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255718	0	50	-1.0	-44.62	397.29	11.02	-33.60
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255718	1	50	-1.0	-44.62	397.31	11.01	-33.61
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255719	0	39	-1.0	-41.70	344.66	7.70	-34.00
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255719	1	39	-1.0	-41.73	344.72	7.71	-34.02
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255720	0	36	-1.0	-45.19	324.11	6.95	-38.24
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255720	1	36	-1.0	-45.18	324.17	6.97	-38.21
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255721	0	43	-1.0	-44.73	376.51	9.82	-34.91
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255721	1	43	-1.0	-44.75	376.54	9.82	-34.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020255722	0	52	-1.0	-41.69	391.67	7.66	-34.03
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020255722	1	52	-1.0	-41.69	391.73	7.67	-34.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020255723	0	49	-1.0	-42.80	370.17	6.86	-35.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020255723	1	49	-1.0	-42.84	370.23	6.89	-35.95
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020255724	0	55	0.0	-65.53	420.16	10.00	-55.53
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020255724	1	55	0.0	-67.44	419.05	10.02	-57.42
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020255725	0	52	0.0	-65.54	400.91	9.18	-56.36
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020255725	1	52	0.0	-66.70	397.50	9.22	-57.48
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020255725	1	52	0.0	-65.55	400.96	9.21	-56.34
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020255725	1	52	0.0	-66.71	397.56	9.24	-57.47
CC(C)C1=CC=C(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020255726	0	55	-1.0	-41.18	432.62	10.90	-30.28
CC(C)C1=CC=C(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020255726	1	55	-1.0	-41.20	432.68	10.91	-30.29
CC(C)C1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020255727	0	52	-1.0	-43.15	408.51	10.03	-33.12
CC(C)C1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020255727	1	52	-1.0	-43.16	408.56	10.05	-33.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2F)CC1	REAL300020255728	0	50	-1.0	-42.15	405.02	8.77	-33.38
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2F)CC1	REAL300020255728	1	50	-1.0	-42.17	405.07	8.78	-33.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2F)CC1	REAL300020255729	0	47	-1.0	-43.71	383.52	7.97	-35.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2F)CC1	REAL300020255729	1	47	-1.0	-43.77	383.58	8.00	-35.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CN=CC(Cl)=N2)CC1	REAL300020255730	0	45	-1.0	-42.17	384.64	4.21	-37.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CN=CC(Cl)=N2)CC1	REAL300020255730	1	45	-1.0	-42.17	384.58	4.20	-37.97
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CN=CC(Cl)=N2)CC1	REAL300020255731	0	42	-1.0	-44.27	363.15	3.43	-40.84
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CN=CC(Cl)=N2)CC1	REAL300020255731	1	42	-1.0	-44.25	363.09	3.40	-40.85
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300020255732	0	55	-1.0	-41.03	435.61	11.07	-29.96
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300020255732	1	55	-1.0	-41.05	435.66	11.08	-29.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300020255733	0	52	-1.0	-45.08	408.58	10.55	-34.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300020255733	1	52	-1.0	-45.06	408.63	10.58	-34.48
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020255734	0	41	-1.0	-43.07	323.69	4.25	-38.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020255734	1	41	-1.0	-43.10	323.74	4.26	-38.84
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020255735	0	45	-1.0	-45.72	355.25	6.35	-39.37
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020255735	1	45	-1.0	-45.67	355.29	6.34	-39.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)CC1	REAL300020255736	0	49	-1.0	-41.79	391.43	9.61	-32.18
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)CC1	REAL300020255736	1	49	-1.0	-41.83	391.49	9.63	-32.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)CC1	REAL300020255737	0	46	-1.0	-42.15	375.96	8.78	-33.37
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)CC1	REAL300020255737	1	46	-1.0	-42.13	376.02	8.80	-33.33
CC(C)C1=CC=C(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255738	0	58	-1.0	-41.76	445.48	11.64	-30.12
CC(C)C1=CC=C(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255738	1	58	-1.0	-41.73	445.54	11.66	-30.07
CC(C)C1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255739	0	55	-1.0	-44.17	423.99	10.85	-33.32
CC(C)C1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255739	1	55	-1.0	-44.17	424.04	10.87	-33.30
COC1=CC(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=CC(OC)=C1	REAL300020255740	0	53	-1.0	-45.93	423.10	5.11	-40.82
COC1=CC(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=CC(OC)=C1	REAL300020255740	1	53	-1.0	-45.94	423.16	5.14	-40.80
CN(CCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255741	0	46	-1.0	-47.94	397.10	6.58	-41.36
CN(CCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255741	1	46	-1.0	-47.93	397.16	6.59	-41.34
CN(CCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255742	0	43	-1.0	-49.71	375.54	5.81	-43.90
CN(CCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255742	1	43	-1.0	-49.78	375.60	5.83	-43.95
COCCN(C)S(=O)(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255743	0	51	-1.0	-49.29	415.54	2.46	-46.83
COCCN(C)S(=O)(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255743	1	51	-1.0	-49.25	415.59	2.49	-46.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC2=CC=CC=C2Cl)C1	REAL300020255744	0	47	-1.0	-43.68	391.51	8.50	-35.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC2=CC=CC=C2Cl)C1	REAL300020255744	1	47	-1.0	-43.68	391.57	8.53	-35.15
CN(C[C@H]1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255745	0	44	-1.0	-43.57	358.81	6.21	-37.36
CN(C[C@H]1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255745	1	44	-1.0	-43.60	358.87	6.21	-37.39
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020255746	0	43	-1.0	-40.38	343.41	4.95	-35.43
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020255746	1	43	-1.0	-40.36	343.47	4.96	-35.40
CC(C)C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020255747	0	47	-1.0	-42.57	375.24	7.04	-35.53
CC(C)C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020255747	1	47	-1.0	-42.59	375.27	7.03	-35.56
CC(C)N1C(=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020255748	0	49	-1.0	-41.95	382.49	6.32	-35.63
CC(C)N1C(=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020255748	1	49	-1.0	-41.98	382.54	6.33	-35.65
CC(C)N1C(=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020255749	0	46	-1.0	-42.37	360.30	5.35	-37.02
CC(C)N1C(=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020255749	1	46	-1.0	-42.36	360.35	5.38	-36.98
CC(C)N1C(=O)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1(C)C	REAL300020255750	0	53	-1.0	-44.15	409.58	8.38	-35.77
CC(C)N1C(=O)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1(C)C	REAL300020255750	1	53	-1.0	-44.08	409.62	8.37	-35.71
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020255751	0	41	-1.0	-41.53	339.68	3.08	-38.45
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020255751	1	41	-1.0	-41.53	339.74	3.09	-38.44
COCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020255752	0	45	-1.0	-44.20	368.91	5.16	-39.04
COCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020255752	1	45	-1.0	-44.19	368.94	5.15	-39.04
CN1C=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=O)C=N1	REAL300020255753	0	44	-1.0	-52.70	361.34	4.05	-48.65
CN1C=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=O)C=N1	REAL300020255753	1	44	-1.0	-52.73	361.29	4.04	-48.69
CN1C=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=O)C=N1	REAL300020255754	0	41	-1.0	-56.13	339.85	3.28	-52.85
CN1C=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=O)C=N1	REAL300020255754	1	41	-1.0	-56.11	339.79	3.25	-52.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020255755	0	42	-1.0	-42.12	329.68	3.03	-39.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020255755	1	42	-1.0	-42.09	329.74	3.04	-39.05
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020255756	0	39	-1.0	-42.68	315.68	2.30	-40.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020255756	1	39	-1.0	-42.63	315.73	2.33	-40.30
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020255757	0	46	-1.0	-44.87	361.54	5.14	-39.73
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020255757	1	46	-1.0	-44.87	361.58	5.13	-39.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)(C(F)(F)F)C1	REAL300020255758	0	39	-1.0	-41.01	339.25	6.17	-34.84
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)(C(F)(F)F)C1	REAL300020255758	1	39	-1.0	-41.01	339.30	6.19	-34.82
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)(C(F)(F)F)C1	REAL300020255759	0	36	-1.0	-41.50	318.78	5.39	-36.11
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)(C(F)(F)F)C1	REAL300020255759	1	36	-1.0	-41.54	318.84	5.42	-36.12
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=C2)CC1	REAL300020255760	0	49	-1.0	-47.88	390.99	3.19	-44.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=C2)CC1	REAL300020255760	1	49	-1.0	-47.87	391.05	3.21	-44.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=C2)CC1	REAL300020255761	0	46	-1.0	-49.25	375.24	2.38	-46.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=C2)CC1	REAL300020255761	1	46	-1.0	-49.22	375.30	2.41	-46.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(Cl)C=C2)C(=O)C1	REAL300020255762	0	44	-1.0	-45.35	379.96	7.20	-38.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(Cl)C=C2)C(=O)C1	REAL300020255762	1	44	-1.0	-45.36	380.01	7.23	-38.13
COCCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255763	0	50	-1.0	-41.34	402.66	5.30	-36.04
COCCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255763	1	50	-1.0	-41.37	402.72	5.32	-36.05
COCCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255764	0	47	-1.0	-45.37	376.15	4.59	-40.78
COCCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255764	1	47	-1.0	-45.38	376.21	4.62	-40.76
COCCCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255765	0	54	-1.0	-43.20	435.29	7.24	-35.96
COCCCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255765	1	54	-1.0	-43.13	435.35	7.22	-35.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020255766	0	37	-1.0	-41.54	324.06	4.21	-37.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020255766	1	37	-1.0	-41.52	324.11	4.23	-37.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020255767	0	34	-1.0	-43.73	302.16	3.18	-40.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020255767	1	34	-1.0	-43.73	302.21	3.20	-40.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020255768	0	41	-1.0	-44.19	355.50	6.07	-38.12
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020255768	1	41	-1.0	-44.17	355.54	6.06	-38.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020255769	0	47	-1.0	-51.76	385.44	7.20	-44.56
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020255769	1	47	-1.0	-51.75	385.49	7.21	-44.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020255770	0	44	-1.0	-53.72	363.85	6.41	-47.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020255770	1	44	-1.0	-53.78	363.91	6.44	-47.34
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255771	0	57	0.0	-68.88	439.29	8.07	-60.81
CN(CCN1CCN(C2=CC=CC=C2)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255771	1	56	-1.0	-41.66	435.54	5.62	-36.04
CN(CCN1CCN(C2=CC=CC=C2)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255771	1	56	-1.0	-41.66	435.59	5.63	-36.03
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255772	0	54	0.0	-68.64	417.68	7.28	-61.36
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255772	1	54	0.0	-68.65	417.73	7.31	-61.34
CN(CCN1CCN(C2=CC=CC=C2)CC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255772	1	53	-1.0	-43.45	415.13	5.00	-38.45
CN(CCN1CCN(C2=CC=CC=C2)CC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255772	1	53	-1.0	-43.48	415.19	5.03	-38.45
CN(CC1=NC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255773	0	35	-1.0	-41.11	308.23	4.52	-36.59
CN(CC1=NC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255773	1	35	-1.0	-41.11	308.29	4.54	-36.57
CN(CC1=NC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255774	0	39	-1.0	-45.56	338.73	6.41	-39.15
CN(CC1=NC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255774	1	39	-1.0	-45.55	338.77	6.40	-39.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020255775	0	44	-1.0	-42.88	372.47	7.66	-35.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020255775	1	44	-1.0	-42.91	372.52	7.68	-35.23
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020255776	0	41	-1.0	-43.49	352.67	6.93	-36.56
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020255776	1	41	-1.0	-43.48	352.73	6.96	-36.52
CCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255777	0	43	-1.0	-40.96	346.29	5.30	-35.66
CCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255777	1	43	-1.0	-41.01	346.35	5.32	-35.69
CCOCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255778	0	47	-1.0	-43.34	378.14	7.40	-35.94
CCOCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255778	1	47	-1.0	-43.29	378.17	7.39	-35.90
CN(CC1CCOC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255779	0	44	-1.0	-44.64	350.80	6.41	-38.23
CN(CC1CCOC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255779	1	44	-1.0	-44.65	350.84	6.40	-38.25
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC(C(F)(F)F)=N2)CC1	REAL300020255780	0	46	-1.0	-45.43	387.76	7.17	-38.26
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC(C(F)(F)F)=N2)CC1	REAL300020255780	1	46	-1.0	-45.43	387.70	7.15	-38.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC(C(F)(F)F)=N2)CC1	REAL300020255781	0	43	-1.0	-47.22	367.35	6.42	-40.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC(C(F)(F)F)=N2)CC1	REAL300020255781	1	43	-1.0	-47.21	367.30	6.40	-40.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC(C(F)(F)F)=N2)C1	REAL300020255782	0	46	-1.0	-45.19	394.20	6.88	-38.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC(C(F)(F)F)=N2)C1	REAL300020255782	1	46	-1.0	-45.20	394.14	6.87	-38.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC(C(F)(F)F)=N2)C1	REAL300020255783	0	43	-1.0	-45.41	373.75	6.13	-39.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC(C(F)(F)F)=N2)C1	REAL300020255783	1	43	-1.0	-45.38	373.69	6.11	-39.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020255784	0	46	-1.0	-42.03	384.83	8.94	-33.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020255784	1	46	-1.0	-42.06	384.89	8.96	-33.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020255785	0	43	-1.0	-42.96	364.33	8.19	-34.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020255785	1	43	-1.0	-42.92	364.38	8.22	-34.70
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020255786	0	45	-1.0	-49.56	376.86	7.87	-41.69
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020255786	1	45	-1.0	-49.61	376.81	7.85	-41.76
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020255787	0	42	-1.0	-50.84	356.45	7.12	-43.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020255787	1	42	-1.0	-50.87	356.39	7.09	-43.78
CN(CC1=CC=C(Br)C(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255788	0	39	-1.0	-41.57	349.08	7.79	-33.78
CN(CC1=CC=C(Br)C(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255788	1	39	-1.0	-41.57	349.14	7.81	-33.76
CN(CC1=CC=C(Br)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255789	0	36	-1.0	-45.01	328.52	7.05	-37.96
CN(CC1=CC=C(Br)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255789	1	36	-1.0	-45.00	328.59	7.07	-37.93
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=C1	REAL300020255790	0	46	-1.0	-42.36	367.50	8.61	-33.75
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=C1	REAL300020255790	1	46	-1.0	-42.42	367.56	8.63	-33.79
CC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=C1	REAL300020255791	0	43	-1.0	-44.65	347.00	7.87	-36.78
CC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=C1	REAL300020255791	1	43	-1.0	-44.64	347.06	7.89	-36.75
CC1=CC=CC(C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C2)=C1	REAL300020255792	0	50	-1.0	-44.29	399.51	10.72	-33.57
CC1=CC=CC(C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C2)=C1	REAL300020255792	1	50	-1.0	-44.32	399.55	10.71	-33.61
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020255793	0	49	-1.0	-43.72	392.01	9.79	-33.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020255793	1	49	-1.0	-43.73	392.07	9.80	-33.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020255794	0	46	-1.0	-45.97	371.61	9.03	-36.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020255794	1	46	-1.0	-46.00	371.66	9.06	-36.94
CCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255795	0	46	-1.0	-43.09	380.51	4.22	-38.87
CCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255795	1	46	-1.0	-43.04	380.57	4.24	-38.80
CCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255796	0	43	-1.0	-44.50	360.02	3.50	-41.00
CCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255796	1	43	-1.0	-44.46	360.08	3.53	-40.93
CCOCCOCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255797	0	50	-1.0	-44.65	412.69	6.36	-38.29
CCOCCOCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255797	1	50	-1.0	-44.61	412.72	6.35	-38.26
CC1=CC=C(N(C)C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020255798	0	54	-1.0	-43.16	414.60	9.53	-33.63
CC1=CC=C(N(C)C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020255798	1	54	-1.0	-43.17	414.66	9.55	-33.62
CC1=CC=C(N(C)C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020255799	0	51	-1.0	-44.65	393.12	8.74	-35.91
CC1=CC=C(N(C)C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020255799	1	51	-1.0	-44.66	393.18	8.76	-35.90
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL300020255800	0	52	-1.0	-43.05	422.03	8.72	-34.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL300020255800	1	52	-1.0	-43.02	422.09	8.73	-34.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL300020255801	0	49	-1.0	-46.47	401.80	7.98	-38.49
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL300020255801	1	49	-1.0	-46.46	401.85	8.00	-38.46
COC1=CC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=CC(OC)=C1	REAL300020255802	0	53	-1.0	-47.98	418.15	4.29	-43.69
COC1=CC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=CC(OC)=C1	REAL300020255802	1	53	-1.0	-47.99	418.21	4.32	-43.67
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020255803	0	41	-1.0	-44.01	346.68	5.14	-38.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020255803	1	41	-1.0	-44.00	346.73	5.16	-38.84
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020255804	0	38	-1.0	-45.95	324.13	4.33	-41.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020255804	1	38	-1.0	-45.93	324.18	4.35	-41.58
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020255805	0	45	-1.0	-46.44	375.95	7.23	-39.21
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020255805	1	45	-1.0	-46.41	376.00	7.22	-39.19
CCC1=CC=C(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCO2)C=C1	REAL300020255806	0	50	-1.0	-41.90	407.15	8.15	-33.75
CCC1=CC=C(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCO2)C=C1	REAL300020255806	1	50	-1.0	-41.87	407.21	8.16	-33.71
CCC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCO2)C=C1	REAL300020255807	0	47	-1.0	-43.55	386.78	7.36	-36.19
CCC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCO2)C=C1	REAL300020255807	1	47	-1.0	-43.53	386.84	7.38	-36.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCS2(=O)=O)C1	REAL300020255808	0	48	-1.0	-50.46	393.84	3.35	-47.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCS2(=O)=O)C1	REAL300020255808	1	48	-1.0	-50.49	393.90	3.36	-47.13
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCS2(=O)=O)C1	REAL300020255809	0	45	-1.0	-57.58	366.81	2.83	-54.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCS2(=O)=O)C1	REAL300020255809	1	45	-1.0	-57.58	366.87	2.86	-54.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC(Cl)=CC=C3O2)CC1	REAL300020255810	0	45	-1.0	-45.65	391.27	5.75	-39.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC(Cl)=CC=C3O2)CC1	REAL300020255810	1	45	-1.0	-45.61	391.32	5.77	-39.84
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)N=C(C3CC3)O2)CC1	REAL300020255811	0	49	-1.0	-44.64	408.44	3.52	-41.12
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)N=C(C3CC3)O2)CC1	REAL300020255811	1	49	-1.0	-44.61	408.50	3.54	-41.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)N=C(C3CC3)O2)CC1	REAL300020255812	0	46	-1.0	-45.82	386.84	2.74	-43.08
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)N=C(C3CC3)O2)CC1	REAL300020255812	1	46	-1.0	-45.82	386.90	2.76	-43.06
CN(CC1=CC(Br)=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255813	0	36	-1.0	-39.79	334.27	6.88	-32.91
CN(CC1=CC(Br)=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255813	1	36	-1.0	-39.81	334.33	6.90	-32.91
CN(CC1=CC(Br)=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255814	0	33	-1.0	-42.36	313.72	6.13	-36.23
CN(CC1=CC(Br)=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255814	1	33	-1.0	-42.36	313.78	6.16	-36.20
CC1=CC=C(C(=O)C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C(C)=C1	REAL300020255815	0	54	-1.0	-43.90	423.75	10.22	-33.68
CC1=CC=C(C(=O)C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C(C)=C1	REAL300020255815	1	54	-1.0	-43.93	423.81	10.23	-33.70
CC1=CC=C(C(=O)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C(C)=C1	REAL300020255816	0	51	-1.0	-44.29	402.26	9.43	-34.86
CC1=CC=C(C(=O)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C(C)=C1	REAL300020255816	1	51	-1.0	-44.27	402.31	9.45	-34.82
CN(CCCOC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255817	0	46	-1.0	-41.52	381.15	7.32	-34.20
CN(CCCOC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255817	1	46	-1.0	-41.59	381.21	7.34	-34.25
CN(CCCOC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255818	0	43	-1.0	-43.25	360.68	6.59	-36.66
CN(CCCOC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255818	1	43	-1.0	-43.23	360.73	6.62	-36.61
CN(CCCOC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255819	0	50	-1.0	-43.75	413.33	9.44	-34.31
CN(CCCOC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255819	1	50	-1.0	-43.69	413.38	9.43	-34.26
COC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255820	0	47	-1.0	-42.53	391.34	6.26	-36.27
COC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255820	1	47	-1.0	-42.52	391.40	6.28	-36.24
COC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255821	0	44	-1.0	-46.18	368.15	5.76	-40.42
COC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255821	1	44	-1.0	-46.14	368.21	5.78	-40.36
CCN(CC)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255822	0	51	-1.0	-46.79	389.72	6.21	-40.58
CCN(CC)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255822	1	51	-1.0	-46.74	389.78	6.23	-40.51
CCN(CC)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255823	0	48	-1.0	-51.00	364.14	5.51	-45.49
CCN(CC)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255823	1	48	-1.0	-51.02	364.20	5.54	-45.48
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020255824	0	50	-1.0	-41.26	407.40	8.49	-32.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020255824	1	50	-1.0	-41.28	407.45	8.50	-32.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020255825	0	47	-1.0	-42.50	386.94	7.73	-34.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020255825	1	47	-1.0	-42.54	387.00	7.75	-34.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N2CCOCC2)CC1	REAL300020255826	0	54	-1.0	-47.79	419.78	5.94	-41.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N2CCOCC2)CC1	REAL300020255826	1	54	-1.0	-47.80	419.84	5.96	-41.84
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N2CCOCC2)CC1	REAL300020255827	0	51	-1.0	-49.55	393.30	5.22	-44.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N2CCOCC2)CC1	REAL300020255827	1	51	-1.0	-49.56	393.36	5.24	-44.32
COC1=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=CC=C1SC	REAL300020255828	0	47	-1.0	-43.35	390.97	7.47	-35.88
COC1=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=CC=C1SC	REAL300020255828	1	47	-1.0	-43.38	391.03	7.49	-35.89
COC1=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=CC=C1SC	REAL300020255829	0	44	-1.0	-46.58	370.40	6.73	-39.85
COC1=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=CC=C1SC	REAL300020255829	1	44	-1.0	-46.55	370.47	6.75	-39.80
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC3=CC=CC=C32)CC1	REAL300020255830	0	52	-1.0	-42.63	405.96	11.06	-31.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC3=CC=CC=C32)CC1	REAL300020255830	1	52	-1.0	-42.67	406.02	11.08	-31.59
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC3=CC=CC=C32)CC1	REAL300020255831	0	49	-1.0	-45.25	385.57	10.31	-34.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC3=CC=CC=C32)CC1	REAL300020255831	1	49	-1.0	-45.26	385.63	10.33	-34.93
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020255832	0	41	-1.0	-45.16	345.79	7.68	-37.48
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020255832	1	41	-1.0	-45.17	345.85	7.66	-37.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020255833	0	41	-1.0	-45.18	329.83	4.91	-40.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020255833	1	41	-1.0	-45.18	329.89	4.92	-40.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020255834	0	38	-1.0	-46.56	308.33	4.12	-42.44
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020255834	1	38	-1.0	-46.54	308.39	4.15	-42.39
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020255835	0	45	-1.0	-47.98	360.67	6.98	-41.00
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020255835	1	45	-1.0	-47.95	360.71	6.98	-40.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C3=CC=CC=N3)=NO2)CC1	REAL300020255836	0	47	-1.0	-50.88	393.47	5.09	-45.79
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C3=CC=CC=N3)=NO2)CC1	REAL300020255836	1	47	-1.0	-50.92	393.53	5.11	-45.81
CN(CC1CCCOC1C1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255837	0	53	-1.0	-46.03	413.95	9.03	-37.00
CN(CC1CCCOC1C1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255837	1	53	-1.0	-46.02	414.01	9.04	-36.98
CN(CC1CCCOC1C1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255838	0	50	-1.0	-42.93	399.21	7.99	-34.94
CN(CC1CCCOC1C1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255838	1	50	-1.0	-42.93	399.27	8.02	-34.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020255839	0	38	-1.0	-47.58	322.49	0.98	-46.60
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020255839	1	38	-1.0	-47.57	322.55	1.00	-46.57
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020255840	0	42	-1.0	-50.44	353.81	2.87	-47.57
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020255840	1	42	-1.0	-50.42	353.85	2.86	-47.56
CC1=CC=C(CC2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020255841	0	52	-1.0	-41.37	406.63	10.37	-31.00
CC1=CC=C(CC2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020255841	1	52	-1.0	-41.42	406.69	10.38	-31.04
CC1=CC=C(CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020255842	0	49	-1.0	-43.76	391.25	9.53	-34.23
CC1=CC=C(CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020255842	1	49	-1.0	-43.73	391.31	9.56	-34.17
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=C2Cl)CC1	REAL300020255843	0	48	-1.0	-41.04	394.01	7.92	-33.12
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=C2Cl)CC1	REAL300020255843	1	48	-1.0	-41.05	394.06	7.94	-33.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=C2Cl)CC1	REAL300020255844	0	45	-1.0	-42.18	372.51	7.13	-35.05
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=C2Cl)CC1	REAL300020255844	1	45	-1.0	-42.20	372.57	7.15	-35.05
CC1=CC=C(OCC(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255845	0	51	-1.0	-53.81	412.61	7.98	-45.83
CC1=CC=C(OCC(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255845	1	51	-1.0	-53.81	412.66	8.01	-45.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CCCC2=CC=CC=C2)CC1	REAL300020255846	0	53	-1.0	-51.88	425.15	8.98	-42.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CCCC2=CC=CC=C2)CC1	REAL300020255846	1	53	-1.0	-51.92	425.21	9.00	-42.92
CN(C(=O)OC(C)(C)C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255847	0	56	-1.0	-45.89	429.00	7.55	-38.34
CN(C(=O)OC(C)(C)C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255847	1	56	-1.0	-45.90	429.06	7.57	-38.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL300020255849	0	51	-1.0	-48.30	415.34	4.45	-43.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL300020255849	1	51	-1.0	-48.33	415.39	4.47	-43.86
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL300020255850	0	48	-1.0	-53.14	390.71	3.76	-49.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL300020255850	1	48	-1.0	-53.15	390.77	3.78	-49.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=CC(C#N)=C2)CC1	REAL300020255851	0	48	-1.0	-51.86	403.89	6.92	-44.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=CC(C#N)=C2)CC1	REAL300020255851	1	48	-1.0	-51.87	403.94	6.94	-44.93
CN(CC1=CC=CC=C1N1CCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255852	0	51	-1.0	-41.84	393.68	7.51	-34.33
CN(CC1=CC=CC=C1N1CCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255852	1	51	-1.0	-41.84	393.73	7.53	-34.31
CN(CC1=CC=CC=C1N1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255853	0	48	-1.0	-45.80	373.11	6.76	-39.04
CN(CC1=CC=CC=C1N1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255853	1	48	-1.0	-45.79	373.17	6.78	-39.01
CN(CC1=CC=CC=C1N1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255854	0	54	-1.0	-42.16	419.77	9.06	-33.10
CN(CC1=CC=CC=C1N1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255854	1	54	-1.0	-42.13	419.82	9.07	-33.06
CN(CC1=CC=CC=C1N1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255855	0	51	-1.0	-46.97	399.21	8.30	-38.67
CN(CC1=CC=CC=C1N1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255855	1	51	-1.0	-46.99	399.26	8.32	-38.67
CN(CC1=CC=C(N2CCCCC2)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255856	0	54	-1.0	-41.18	415.00	8.41	-32.77
CN(CC1=CC=C(N2CCCCC2)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255856	1	54	-1.0	-41.15	415.06	8.43	-32.72
CN(CC1=CC=C(N2CCCCC2)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255857	0	51	-1.0	-44.40	394.46	7.66	-36.74
CN(CC1=CC=C(N2CCCCC2)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255857	1	51	-1.0	-44.44	394.51	7.69	-36.75
CN(CC1=CC=C(N2CCOCC2)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255858	0	52	-1.0	-42.43	407.28	5.99	-36.44
CN(CC1=CC=C(N2CCOCC2)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255858	1	52	-1.0	-42.50	407.34	6.01	-36.49
CN(CC1=CC=C(N2CCOCC2)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255859	0	49	-1.0	-45.71	385.52	5.21	-40.50
CN(CC1=CC=C(N2CCOCC2)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255859	1	49	-1.0	-45.74	385.58	5.24	-40.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020255860	0	45	-1.0	-41.63	371.76	5.66	-35.97
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020255860	1	45	-1.0	-41.61	371.82	5.68	-35.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020255860	1	46	0.0	-69.98	372.81	7.84	-62.14
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020255861	0	42	-1.0	-43.82	350.27	4.88	-38.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020255861	1	42	-1.0	-43.83	350.32	4.90	-38.93
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020255861	1	43	0.0	-69.44	352.88	7.16	-62.28
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020255862	0	44	-1.0	-43.98	347.39	6.77	-37.21
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020255862	1	44	-1.0	-44.06	347.20	6.75	-37.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2C#N)CC1	REAL300020255863	0	46	-1.0	-49.78	386.56	7.29	-42.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2C#N)CC1	REAL300020255863	1	46	-1.0	-49.82	386.62	7.31	-42.51
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2C#N)CC1	REAL300020255864	0	43	-1.0	-53.39	364.05	5.96	-47.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2C#N)CC1	REAL300020255864	1	43	-1.0	-53.37	364.10	5.98	-47.39
COC1=CC=CC=C1NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255865	0	51	-1.0	-49.67	410.91	5.98	-43.69
COC1=CC=CC=C1NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255865	1	51	-1.0	-49.67	410.97	6.00	-43.67
CCS(=O)(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255866	0	47	-1.0	-47.31	390.43	2.34	-44.97
CCS(=O)(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255866	1	47	-1.0	-47.32	390.49	2.35	-44.97
CCS(=O)(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255867	0	44	-1.0	-53.15	363.94	1.62	-51.53
CCS(=O)(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255867	1	44	-1.0	-53.14	363.99	1.64	-51.50
CCCS(=O)(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255868	0	50	-1.0	-49.48	403.52	3.08	-46.40
CCCS(=O)(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255868	1	50	-1.0	-49.50	403.58	3.10	-46.40
CCCS(=O)(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255869	0	47	-1.0	-49.99	389.18	2.28	-47.71
CCCS(=O)(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255869	1	47	-1.0	-50.01	389.23	2.30	-47.71
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255870	0	46	-1.0	-42.18	362.41	8.80	-33.38
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255870	1	46	-1.0	-42.14	362.48	8.79	-33.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020255871	0	44	-1.0	-46.01	360.46	5.50	-40.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020255871	1	44	-1.0	-46.00	360.51	5.51	-40.49
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020255872	0	41	-1.0	-47.49	338.96	4.72	-42.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020255872	1	41	-1.0	-47.48	339.02	4.74	-42.74
CN(CC(F)(F)F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255873	0	36	-1.0	-46.80	311.99	6.62	-40.18
CN(CC(F)(F)F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255873	1	36	-1.0	-46.75	312.03	6.62	-40.13
CC1CCCN(C(=O)C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C1	REAL300020255874	0	56	-1.0	-45.12	424.06	8.12	-37.00
CC1CCCN(C(=O)C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C1	REAL300020255874	1	56	-1.0	-45.13	424.12	8.13	-37.00
CC1CCCN(C(=O)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C1	REAL300020255875	0	53	-1.0	-45.05	402.56	7.32	-37.73
CC1CCCN(C(=O)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C1	REAL300020255875	1	53	-1.0	-45.10	402.62	7.35	-37.75
CC(C)N(C)C(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255876	0	52	-1.0	-46.31	395.51	6.83	-39.48
CC(C)N(C)C(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255876	1	52	-1.0	-46.28	395.57	6.84	-39.44
CC(C)N(C)C(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255877	0	49	-1.0	-46.17	381.17	6.02	-40.15
CC(C)N(C)C(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255877	1	49	-1.0	-46.22	381.22	6.05	-40.17
CN(CCCCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255878	0	48	-1.0	-41.62	394.17	9.30	-32.32
CN(CCCCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255878	1	48	-1.0	-41.61	394.23	9.31	-32.30
CN(CCCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255879	0	45	-1.0	-43.26	373.70	8.57	-34.69
CN(CCCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255879	1	45	-1.0	-43.25	373.76	8.59	-34.66
CN(CCCCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255880	0	52	-1.0	-43.61	426.35	11.41	-32.20
CN(CCCCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255880	1	52	-1.0	-43.62	426.40	11.40	-32.22
CN(CC1=CC(Cl)=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255881	0	39	-1.0	-39.69	355.54	8.14	-31.55
CN(CC1=CC(Cl)=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255881	1	39	-1.0	-39.71	355.60	8.15	-31.56
CN(CC1=CC(Cl)=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255882	0	36	-1.0	-42.47	334.99	7.39	-35.08
CN(CC1=CC(Cl)=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255882	1	36	-1.0	-42.48	335.04	7.41	-35.07
CC(C#N)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255883	0	40	-1.0	-48.07	338.44	7.45	-40.62
CC(C#N)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255883	1	40	-1.0	-48.02	338.47	7.45	-40.57
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255884	0	50	-1.0	-46.54	404.79	7.66	-38.88
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255884	1	50	-1.0	-46.58	404.84	7.68	-38.90
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255885	0	47	-1.0	-49.39	379.27	7.04	-42.35
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255885	1	47	-1.0	-49.38	379.33	7.06	-42.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NCC(C)(C)S2)CC1	REAL300020255886	0	49	-1.0	-43.17	395.20	6.42	-36.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NCC(C)(C)S2)CC1	REAL300020255886	1	49	-1.0	-43.16	395.26	6.43	-36.73
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NCC(C)(C)S2)CC1	REAL300020255887	0	46	-1.0	-45.22	373.59	5.62	-39.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NCC(C)(C)S2)CC1	REAL300020255887	1	46	-1.0	-45.27	373.65	5.64	-39.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020255888	0	49	-1.0	-46.08	397.37	6.04	-40.04
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020255888	1	49	-1.0	-46.03	397.43	6.05	-39.98
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020255888	1	48	-2.0	-85.93	393.81	6.81	-79.12
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020255888	1	48	-2.0	-85.90	393.86	6.82	-79.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020255889	0	46	-1.0	-46.04	375.88	5.24	-40.80
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020255889	1	46	-1.0	-46.06	375.93	5.27	-40.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020255889	1	45	-2.0	-88.28	372.31	6.02	-82.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020255889	1	45	-2.0	-88.33	372.37	6.04	-82.29
CCOC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020255890	0	51	-1.0	-44.35	408.51	5.43	-38.92
CCOC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020255890	1	51	-1.0	-44.34	408.45	5.42	-38.92
CCOC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020255891	0	48	-1.0	-47.34	386.90	4.65	-42.69
CCOC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020255891	1	48	-1.0	-47.34	386.84	4.62	-42.72
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(C#N)=C2)CC1	REAL300020255892	0	48	-1.0	-45.05	394.06	8.30	-36.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(C#N)=C2)CC1	REAL300020255892	1	48	-1.0	-45.03	394.12	8.32	-36.71
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(C#N)=C2)CC1	REAL300020255893	0	45	-1.0	-47.02	373.64	7.55	-39.47
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(C#N)=C2)CC1	REAL300020255893	1	45	-1.0	-47.02	373.70	7.57	-39.45
CN(CC1=CC=CC=C1C1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255894	0	49	-1.0	-42.19	398.73	10.71	-31.48
CN(CC1=CC=CC=C1C1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255894	1	49	-1.0	-42.21	398.79	10.73	-31.48
CN(CC1=CC=CC=C1C1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255895	0	46	-1.0	-42.85	380.93	9.85	-33.00
CN(CC1=CC=CC=C1C1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255895	1	46	-1.0	-42.80	380.87	9.83	-32.97
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020255896	0	49	0.0	-61.06	367.41	7.65	-53.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020255896	1	49	0.0	-61.10	367.47	7.67	-53.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020255897	0	46	0.0	-60.36	346.91	6.89	-53.47
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020255897	1	46	0.0	-60.35	346.97	6.92	-53.43
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020255898	0	53	0.0	-66.28	399.62	9.75	-56.53
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020255898	1	53	0.0	-66.24	399.65	9.74	-56.50
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255899	0	42	-1.0	-41.30	351.89	8.20	-33.10
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255899	1	42	-1.0	-41.29	351.94	8.21	-33.08
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255900	0	39	-1.0	-44.44	331.43	7.47	-36.97
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255900	1	39	-1.0	-44.45	331.37	7.45	-37.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300020255901	0	47	-1.0	-46.20	390.66	7.04	-39.16
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300020255901	1	47	-1.0	-46.24	390.71	7.06	-39.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300020255902	0	44	-1.0	-47.44	363.30	6.28	-41.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300020255902	1	44	-1.0	-47.47	363.36	6.30	-41.17
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020255903	0	53	-1.0	-47.58	408.87	7.63	-39.95
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020255903	1	53	-1.0	-47.58	408.93	7.65	-39.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020255904	0	50	-1.0	-51.52	387.38	6.84	-44.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020255904	1	50	-1.0	-51.47	387.44	6.86	-44.61
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC(F)=CC=C2F)CC1	REAL300020255905	0	45	-1.0	-50.23	377.06	8.25	-41.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC(F)=CC=C2F)CC1	REAL300020255905	1	45	-1.0	-50.29	377.11	8.28	-42.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020255906	0	43	-1.0	-47.05	337.76	2.32	-44.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020255906	1	43	-1.0	-47.05	337.82	2.34	-44.71
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020255907	0	40	-1.0	-47.85	320.94	2.12	-45.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020255907	1	40	-1.0	-47.84	321.00	2.15	-45.69
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020255908	0	47	-1.0	-47.16	373.30	4.99	-42.17
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020255908	1	47	-1.0	-47.14	373.33	4.98	-42.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2Cl)C1	REAL300020255909	0	44	-1.0	-42.62	378.83	7.43	-35.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2Cl)C1	REAL300020255909	1	44	-1.0	-42.62	378.88	7.44	-35.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2Cl)C1	REAL300020255910	0	41	-1.0	-43.53	356.23	6.61	-36.92
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2Cl)C1	REAL300020255910	1	41	-1.0	-43.52	356.28	6.63	-36.89
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CCOC	REAL300020255911	0	55	0.0	-65.65	412.69	7.00	-58.65
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CCOC	REAL300020255911	1	55	0.0	-62.56	409.03	7.09	-55.47
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCN1CCOC	REAL300020255911	1	54	-1.0	-40.87	411.20	4.75	-36.12
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CCOC	REAL300020255912	0	52	0.0	-64.80	395.24	6.22	-58.58
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CCOC	REAL300020255912	1	52	0.0	-62.88	386.50	6.43	-56.45
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1CCOC	REAL300020255912	1	51	-1.0	-44.40	392.01	4.38	-40.02
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020255913	0	58	0.0	-65.93	446.33	10.58	-55.35
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020255913	1	58	0.0	-66.38	444.74	10.75	-55.63
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020255914	0	55	0.0	-61.13	407.30	9.55	-51.58
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020255914	1	55	0.0	-65.45	412.83	10.15	-55.30
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020255914	1	55	0.0	-61.12	407.35	9.58	-51.54
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020255914	1	55	0.0	-65.44	412.89	10.18	-55.26
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020255915	0	42	-1.0	-44.73	346.87	4.73	-40.00
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020255915	1	42	-1.0	-44.76	346.92	4.75	-40.01
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020255916	0	39	-1.0	-46.33	325.37	3.95	-42.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020255916	1	39	-1.0	-46.32	325.43	3.97	-42.35
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020255917	0	46	-1.0	-47.83	377.98	6.83	-41.00
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020255917	1	46	-1.0	-47.76	377.78	6.82	-40.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020255918	0	45	-1.0	-42.27	347.25	4.19	-38.08
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020255918	1	45	-1.0	-42.26	347.30	4.20	-38.06
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020255919	0	42	-1.0	-44.69	325.74	3.41	-41.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020255919	1	42	-1.0	-44.65	325.80	3.43	-41.22
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020255920	0	49	-1.0	-44.65	378.40	6.29	-38.36
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020255920	1	49	-1.0	-44.74	378.20	6.29	-38.45
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC2(CCOCC2)O1	REAL300020255921	0	48	-1.0	-41.83	368.44	4.93	-36.90
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC2(CCOCC2)O1	REAL300020255921	1	48	-1.0	-41.88	368.50	4.95	-36.93
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC2(CCOCC2)O1	REAL300020255922	0	45	-1.0	-44.26	346.94	4.15	-40.11
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC2(CCOCC2)O1	REAL300020255922	1	45	-1.0	-44.27	347.00	4.17	-40.10
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC2(CCOCC2)O1	REAL300020255923	0	52	-1.0	-44.31	399.37	7.02	-37.29
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC2(CCOCC2)O1	REAL300020255923	1	52	-1.0	-44.26	399.40	7.01	-37.25
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC2(CCCOC2)O1	REAL300020255924	0	48	-1.0	-41.35	374.84	5.19	-36.16
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC2(CCCOC2)O1	REAL300020255924	1	48	-1.0	-41.35	374.89	5.21	-36.14
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC2(CCCOC2)O1	REAL300020255925	0	45	-1.0	-43.40	346.63	4.39	-39.01
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC2(CCCOC2)O1	REAL300020255925	1	45	-1.0	-43.39	346.68	4.41	-38.98
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC2(CCCOC2)O1	REAL300020255926	0	52	-1.0	-43.80	404.12	7.28	-36.52
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC2(CCCOC2)O1	REAL300020255926	1	52	-1.0	-43.82	404.16	7.27	-36.55
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC2(CCOC2)O1	REAL300020255927	0	45	-1.0	-42.19	351.58	3.81	-38.38
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC2(CCOC2)O1	REAL300020255927	1	45	-1.0	-42.23	351.64	3.82	-38.41
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC2(CCOC2)O1	REAL300020255928	0	42	-1.0	-42.53	326.19	2.49	-40.04
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC2(CCOC2)O1	REAL300020255928	1	42	-1.0	-42.59	326.24	2.51	-40.08
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC2(CCOC2)O1	REAL300020255929	0	49	-1.0	-44.94	383.43	5.93	-39.01
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC2(CCOC2)O1	REAL300020255929	1	49	-1.0	-44.89	383.46	5.92	-38.97
CN(CC1=CC(Br)=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255930	0	39	-1.0	-40.70	344.71	7.65	-33.05
CN(CC1=CC(Br)=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255930	1	39	-1.0	-40.79	344.77	7.66	-33.13
CN(CC1=CC(Br)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255931	0	36	-1.0	-43.51	324.16	6.90	-36.61
CN(CC1=CC(Br)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255931	1	36	-1.0	-43.50	324.22	6.92	-36.58
CC(C)COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255932	0	50	-1.0	-44.48	399.40	6.60	-37.88
CC(C)COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255932	1	50	-1.0	-44.53	399.46	6.62	-37.91
CC(C)COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255933	0	47	-1.0	-46.40	377.91	5.82	-40.58
CC(C)COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255933	1	47	-1.0	-46.40	377.96	5.84	-40.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020255934	0	50	-1.0	-40.46	386.39	7.58	-32.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020255934	1	50	-1.0	-40.48	386.45	7.60	-32.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020255935	0	47	-1.0	-41.72	364.89	6.79	-34.93
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020255935	1	47	-1.0	-41.74	364.95	6.81	-34.93
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020255936	0	54	-1.0	-43.06	418.35	9.68	-33.38
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020255936	1	54	-1.0	-43.03	418.39	9.68	-33.35
COC1=CC=C(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255937	0	53	-1.0	-43.71	414.75	9.01	-34.70
COC1=CC=C(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255937	1	53	-1.0	-43.65	414.81	9.03	-34.62
COC1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020255938	0	50	-1.0	-46.11	393.26	8.22	-37.89
COC1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020255938	1	50	-1.0	-46.09	393.31	8.24	-37.85
COC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020255939	0	47	-1.0	-43.44	375.57	7.25	-36.19
COC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020255939	1	47	-1.0	-43.46	375.62	7.26	-36.20
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020255940	0	44	-1.0	-46.35	353.22	6.54	-39.81
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020255940	1	44	-1.0	-46.34	353.28	6.57	-39.77
CN(CCC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255941	0	48	-1.0	-41.02	365.26	8.13	-32.89
CN(CCC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255941	1	48	-1.0	-41.07	365.32	8.15	-32.92
CN(CCC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255942	0	45	-1.0	-44.16	344.69	7.39	-36.77
CN(CCC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255942	1	45	-1.0	-44.14	344.76	7.41	-36.73
CN(CCC1CCCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255943	0	52	-1.0	-41.85	404.01	10.02	-31.83
CN(CCC1CCCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255943	1	52	-1.0	-41.80	404.07	10.01	-31.79
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1C	REAL300020255944	0	46	-1.0	-42.08	371.64	7.17	-34.91
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1C	REAL300020255944	1	46	-1.0	-42.11	371.70	7.19	-34.92
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1C	REAL300020255945	0	43	-1.0	-45.48	351.14	6.45	-39.03
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1C	REAL300020255945	1	43	-1.0	-45.46	351.08	6.42	-39.04
COC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1C	REAL300020255946	0	50	-1.0	-44.56	403.65	9.30	-35.26
COC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1C	REAL300020255946	1	50	-1.0	-44.57	403.69	9.29	-35.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2CCCCC2)CC1	REAL300020255947	0	56	-1.0	-46.89	423.61	8.45	-38.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2CCCCC2)CC1	REAL300020255947	1	56	-1.0	-46.91	423.67	8.47	-38.44
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2CCCCC2)CC1	REAL300020255948	0	53	-1.0	-49.33	402.12	7.67	-41.66
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2CCCCC2)CC1	REAL300020255948	1	53	-1.0	-49.32	402.17	7.69	-41.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=CC(F)=C2)CC1	REAL300020255949	0	50	-1.0	-49.81	406.68	7.47	-42.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=CC(F)=C2)CC1	REAL300020255949	1	50	-1.0	-49.80	406.73	7.48	-42.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=CC(F)=C2)CC1	REAL300020255950	0	47	-1.0	-49.37	389.45	6.59	-42.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=CC(F)=C2)CC1	REAL300020255950	1	47	-1.0	-49.40	389.49	6.62	-42.78
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020255951	0	46	-1.0	-42.61	365.04	8.53	-34.08
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020255951	1	46	-1.0	-42.62	365.10	8.55	-34.07
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020255952	0	43	-1.0	-44.55	336.41	7.22	-37.33
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020255952	1	43	-1.0	-44.52	336.47	7.24	-37.28
CC1=CC=CC=C1C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020255953	0	50	-1.0	-44.78	396.68	10.62	-34.16
CC1=CC=CC=C1C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020255953	1	50	-1.0	-44.73	396.72	10.62	-34.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020255954	0	49	-1.0	-43.47	391.67	9.78	-33.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020255954	1	49	-1.0	-43.48	391.73	9.80	-33.68
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020255955	0	46	-1.0	-45.78	370.18	8.99	-36.79
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020255955	1	46	-1.0	-45.80	370.23	9.01	-36.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC3=CC=CC=C3N2)CC1	REAL300020255956	0	48	-1.0	-49.69	388.19	6.80	-42.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC3=CC=CC=C3N2)CC1	REAL300020255956	1	48	-1.0	-49.66	388.25	6.83	-42.83
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020255957	0	38	-1.0	-49.99	316.31	2.94	-47.05
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020255957	1	38	-1.0	-49.99	316.36	2.94	-47.05
CC(C)NC(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255958	0	51	-1.0	-47.55	402.37	3.18	-44.37
CC(C)NC(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255958	1	51	-1.0	-47.47	402.42	3.19	-44.28
CC(C)NC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255959	0	48	-1.0	-52.02	380.87	2.39	-49.63
CC(C)NC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255959	1	48	-1.0	-52.05	380.93	2.42	-49.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020255960	0	49	-1.0	-47.44	391.84	3.24	-44.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020255960	1	49	-1.0	-47.42	391.90	3.25	-44.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020255961	0	46	-1.0	-49.18	370.35	2.45	-46.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020255961	1	46	-1.0	-49.17	370.40	2.48	-46.69
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)CC1	REAL300020255962	0	53	-1.0	-45.70	426.10	7.51	-38.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)CC1	REAL300020255962	1	53	-1.0	-45.65	426.15	7.52	-38.13
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)CC1	REAL300020255963	0	50	-1.0	-45.78	411.74	6.70	-39.08
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)CC1	REAL300020255963	1	50	-1.0	-45.77	411.80	6.73	-39.04
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020255964	0	46	-1.0	-46.00	378.52	5.41	-40.59
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020255964	1	46	-1.0	-46.04	378.58	5.42	-40.62
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020255965	0	43	-1.0	-47.73	357.99	4.66	-43.07
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020255965	1	43	-1.0	-47.76	358.03	4.69	-43.07
COCCNC(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255966	0	52	-1.0	-48.01	415.34	1.44	-46.57
COCCNC(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255966	1	52	-1.0	-48.00	415.40	1.45	-46.55
COCCNC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255967	0	49	-1.0	-49.80	393.85	0.65	-49.15
COCCNC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255967	1	49	-1.0	-49.84	393.90	0.68	-49.16
CCNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255968	0	45	-1.0	-46.78	365.33	4.09	-42.69
CCNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255968	1	45	-1.0	-46.80	365.38	4.11	-42.69
CCNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255969	0	42	-1.0	-50.00	337.41	3.35	-46.65
CCNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255969	1	42	-1.0	-49.97	337.46	3.37	-46.60
CCNC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255970	0	49	-1.0	-50.50	389.82	6.21	-44.29
CCNC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255970	1	49	-1.0	-50.51	389.85	6.20	-44.31
CNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255971	0	43	-1.0	-46.73	344.70	3.67	-43.06
CNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255971	1	43	-1.0	-46.73	344.76	3.69	-43.04
CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255972	0	40	-1.0	-46.65	330.36	2.87	-43.78
CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255972	1	40	-1.0	-46.69	330.41	2.89	-43.80
CNC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255973	0	47	-1.0	-46.89	383.44	5.57	-41.32
CNC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255973	1	47	-1.0	-46.87	383.50	5.55	-41.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020255974	0	50	-1.0	-47.31	408.62	6.91	-40.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020255974	1	50	-1.0	-47.31	408.68	6.93	-40.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020255975	0	47	-1.0	-48.83	382.12	6.20	-42.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020255975	1	47	-1.0	-48.87	382.18	6.22	-42.65
CC(C(=O)NC1CC1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255976	0	52	-1.0	-46.81	403.86	3.57	-43.24
CC(C(=O)NC1CC1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255976	1	52	-1.0	-46.76	403.92	3.58	-43.18
CC(C(=O)NC1CC1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255977	0	49	-1.0	-49.08	388.60	2.91	-46.17
CC(C(=O)NC1CC1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255977	1	49	-1.0	-49.11	388.66	2.93	-46.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020255978	0	47	-1.0	-44.82	390.63	7.05	-37.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020255978	1	47	-1.0	-44.79	390.68	7.07	-37.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020255979	0	44	-1.0	-45.72	369.13	6.27	-39.45
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020255979	1	44	-1.0	-45.72	369.19	6.29	-39.43
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020255980	0	42	-1.0	-43.53	341.59	6.14	-37.39
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020255980	1	42	-1.0	-43.51	341.64	6.15	-37.36
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020255981	0	39	-1.0	-43.53	327.24	5.33	-38.20
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020255981	1	39	-1.0	-43.52	327.30	5.36	-38.16
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020255982	0	46	-1.0	-44.11	380.32	8.03	-36.08
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020255982	1	46	-1.0	-44.07	380.39	8.01	-36.06
CN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255983	0	44	-1.0	-51.61	367.95	5.99	-45.62
CN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255983	1	44	-1.0	-51.64	368.00	6.01	-45.63
CN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255984	0	41	-1.0	-54.26	346.49	5.21	-49.05
CN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255984	1	41	-1.0	-54.27	346.44	5.19	-49.08
CN(CCOC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255985	0	43	-1.0	-40.72	362.09	6.37	-34.35
CN(CCOC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255985	1	43	-1.0	-40.76	362.15	6.39	-34.37
CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255986	0	40	-1.0	-43.45	338.90	5.87	-37.58
CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255986	1	40	-1.0	-43.43	338.97	5.89	-37.54
CN(CCOC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255987	0	47	-1.0	-44.59	387.32	8.69	-35.90
CN(CCOC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255987	1	47	-1.0	-44.56	387.36	8.68	-35.88
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1OC	REAL300020255988	0	50	-1.0	-43.89	402.66	7.24	-36.65
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1OC	REAL300020255988	1	50	-1.0	-43.85	402.72	7.26	-36.59
CCOC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1OC	REAL300020255989	0	47	-1.0	-47.11	382.10	6.50	-40.61
CCOC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1OC	REAL300020255989	1	47	-1.0	-47.17	382.16	6.52	-40.65
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020255990	0	46	-1.0	-41.61	373.42	7.35	-34.26
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020255990	1	46	-1.0	-41.65	373.48	7.37	-34.28
CCOC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020255991	0	43	-1.0	-44.58	352.92	6.63	-37.95
CCOC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020255991	1	43	-1.0	-44.56	352.88	6.60	-37.96
CCOC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020255992	0	50	-1.0	-44.15	405.26	9.48	-34.67
CCOC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020255992	1	50	-1.0	-44.09	405.31	9.47	-34.62
CN(CC1=CC=CC=C1Br)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255993	0	39	-1.0	-42.55	341.98	7.81	-34.74
CN(CC1=CC=CC=C1Br)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255993	1	39	-1.0	-42.56	342.04	7.82	-34.74
CN(CC1=CC=CC=C1Br)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255994	0	36	-1.0	-46.74	321.43	7.06	-39.68
CN(CC1=CC=CC=C1Br)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255994	1	36	-1.0	-46.75	321.49	7.08	-39.67
COC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020255995	0	43	-1.0	-42.72	345.82	6.70	-36.02
COC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020255995	1	43	-1.0	-42.72	345.88	6.71	-36.01
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020255996	0	40	-1.0	-43.72	338.08	5.56	-38.16
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020255996	1	40	-1.0	-43.74	338.02	5.54	-38.20
COC1=CC=CC=C1CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020255997	0	47	-1.0	-45.90	383.62	8.62	-37.28
COC1=CC=CC=C1CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020255997	1	47	-1.0	-45.94	383.63	8.61	-37.33
CCC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020255998	0	45	-1.0	-40.95	364.96	8.57	-32.38
CCC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020255998	1	45	-1.0	-40.93	365.02	8.58	-32.35
CCC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020255999	0	42	-1.0	-44.28	344.46	7.85	-36.43
CCC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020255999	1	42	-1.0	-44.31	344.42	7.82	-36.49
CCC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020256000	0	49	-1.0	-43.27	396.80	10.70	-32.57
CCC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020256000	1	49	-1.0	-43.29	396.85	10.69	-32.60
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CCC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C2=CC=CC=C2O1	REAL300020256001	1	48	-1.0	-43.24	386.46	8.86	-34.38
CCC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C2=CC=CC=C2O1	REAL300020256002	0	45	-1.0	-47.10	365.90	8.11	-38.99
CCC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C2=CC=CC=C2O1	REAL300020256002	1	45	-1.0	-47.08	365.86	8.08	-39.00
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CCN(CC)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020256003	1	53	-1.0	-41.71	417.25	9.45	-32.26
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020256004	0	50	-1.0	-45.16	396.66	8.68	-36.48
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020256004	1	50	-1.0	-45.18	396.69	8.71	-36.47
CCN1CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)OC2=CC=CC=C21	REAL300020256005	0	52	-1.0	-41.62	410.06	6.25	-35.37
CCN1CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)OC2=CC=CC=C21	REAL300020256005	1	52	-1.0	-41.64	410.12	6.26	-35.38
CCN1CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)OC2=CC=CC=C21	REAL300020256006	0	49	-1.0	-43.32	389.57	5.51	-37.81
CCN1CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)OC2=CC=CC=C21	REAL300020256006	1	49	-1.0	-43.31	389.62	5.54	-37.77
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256007	0	43	-1.0	-42.40	359.75	6.88	-35.52
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256007	1	43	-1.0	-42.42	359.81	6.89	-35.53
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256008	0	40	-1.0	-43.56	343.22	6.15	-37.41
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256008	1	40	-1.0	-43.59	343.28	6.18	-37.41
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256009	0	47	-1.0	-45.26	391.60	9.03	-36.23
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256009	1	47	-1.0	-45.23	391.63	9.02	-36.21
CN(CCOC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256010	0	43	-1.0	-44.83	370.38	7.41	-37.42
CN(CCOC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256010	1	43	-1.0	-44.82	370.44	7.42	-37.40
CN(CCOC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256011	0	40	-1.0	-43.90	355.63	6.39	-37.51
CN(CCOC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256011	1	40	-1.0	-43.89	355.69	6.41	-37.48
CN(CCOC1=CC=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256012	0	43	-1.0	-40.76	378.13	6.93	-33.83
CN(CCOC1=CC=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256012	1	43	-1.0	-40.75	378.18	6.95	-33.80
CN(CCOC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256013	0	40	-1.0	-44.85	354.93	6.43	-38.42
CN(CCOC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256013	1	40	-1.0	-44.83	354.99	6.45	-38.38
CN(CC1=CC=C(N2CCCC2)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256014	0	51	-1.0	-40.93	399.91	7.64	-33.29
CN(CC1=CC=C(N2CCCC2)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256014	1	51	-1.0	-40.91	399.96	7.65	-33.26
CN(CC1=CC=C(N2CCCC2)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256015	0	48	-1.0	-44.24	379.35	6.89	-37.35
CN(CC1=CC=C(N2CCCC2)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256015	1	48	-1.0	-44.26	379.41	6.91	-37.35
CN(CCOC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256016	0	43	-1.0	-41.73	368.32	6.44	-35.29
CN(CCOC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256016	1	43	-1.0	-41.68	368.38	6.45	-35.23
CN(CCOC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256017	0	40	-1.0	-46.30	345.13	5.93	-40.37
CN(CCOC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256017	1	40	-1.0	-46.31	345.18	5.96	-40.35
CN(CCOC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256018	0	47	-1.0	-45.30	393.54	8.77	-36.53
CN(CCOC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256018	1	47	-1.0	-45.27	393.59	8.75	-36.52
CC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256019	0	46	-1.0	-41.01	376.84	7.52	-33.49
CC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256019	1	46	-1.0	-41.01	376.90	7.53	-33.48
CC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256020	0	43	-1.0	-43.35	358.98	6.62	-36.73
CC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256020	1	43	-1.0	-43.33	359.03	6.65	-36.68
CC1=CC=CC=C1OCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256021	0	50	-1.0	-44.68	407.40	9.45	-35.23
CC1=CC=CC=C1OCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256021	1	50	-1.0	-44.65	407.44	9.44	-35.21
CN(CC1=CN(CC2=CC=CC=C2)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256022	0	49	-1.0	-45.02	406.95	8.78	-36.24
CN(CC1=CN(CC2=CC=CC=C2)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256022	1	49	-1.0	-45.01	406.89	8.77	-36.24
CN(CC1=CN(CC2=CC=CC=C2)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256023	0	46	-1.0	-48.83	386.40	8.04	-40.79
CN(CC1=CN(CC2=CC=CC=C2)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256023	1	46	-1.0	-48.87	386.34	8.02	-40.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N2CCCCCC2)CC1	REAL300020256024	0	55	-1.0	-48.81	411.60	5.63	-43.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N2CCCCCC2)CC1	REAL300020256024	1	55	-1.0	-48.82	411.66	5.66	-43.16
CC(=O)C1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C(F)=C1	REAL300020256025	0	50	-1.0	-48.81	407.74	7.14	-41.67
CC(=O)C1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C(F)=C1	REAL300020256025	1	50	-1.0	-48.80	407.80	7.15	-41.65
CC(=O)C1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C(F)=C1	REAL300020256026	0	47	-1.0	-47.56	386.74	6.39	-41.17
CC(=O)C1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C(F)=C1	REAL300020256026	1	47	-1.0	-47.56	386.80	6.42	-41.14
CC1=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=NC(C(C)C)=[NH+]1	REAL300020256027	0	56	0.0	-59.55	440.58	7.83	-51.72
CC1=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=NC(C(C)C)=N1	REAL300020256027	1	55	-1.0	-44.40	434.40	7.36	-37.04
CC1=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=NC(C(C)C)=N1	REAL300020256027	1	55	-1.0	-44.41	434.46	7.37	-37.04
CC1=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=NC(C(C)C)=[NH+]1	REAL300020256028	0	53	0.0	-63.45	413.21	7.06	-56.39
CC1=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=NC(C(C)C)=N1	REAL300020256028	1	52	-1.0	-47.18	412.83	6.57	-40.61
CC1=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=NC(C(C)C)=N1	REAL300020256028	1	52	-1.0	-47.20	412.88	6.60	-40.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)NC3=CC=CC=C32)CC1	REAL300020256029	0	50	-1.0	-46.73	398.40	7.28	-39.45
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)NC3=CC=CC=C32)CC1	REAL300020256029	1	50	-1.0	-46.78	398.46	7.30	-39.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)NC3=CC=CC=C32)CC1	REAL300020256030	0	47	-1.0	-47.10	376.90	6.49	-40.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)NC3=CC=CC=C32)CC1	REAL300020256030	1	47	-1.0	-47.14	376.96	6.51	-40.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020256031	0	41	-1.0	-50.75	342.38	2.01	-48.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020256031	1	41	-1.0	-50.79	342.44	2.03	-48.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020256032	0	38	-1.0	-52.27	320.89	1.23	-51.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020256032	1	38	-1.0	-52.30	320.95	1.25	-51.05
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020256033	0	45	-1.0	-49.10	375.83	3.95	-45.15
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020256033	1	45	-1.0	-49.09	375.88	3.95	-45.14
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N2CCCCC2)CC1	REAL300020256034	0	55	-1.0	-47.45	419.46	5.48	-41.97
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N2CCCCC2)CC1	REAL300020256034	1	55	-1.0	-47.45	419.52	5.49	-41.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N2CCCCC2)CC1	REAL300020256035	0	52	-1.0	-49.08	397.97	4.69	-44.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N2CCCCC2)CC1	REAL300020256035	1	52	-1.0	-49.12	398.02	4.72	-44.40
CCN(CC)C(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256036	0	54	-1.0	-47.33	419.74	5.35	-41.98
CCN(CC)C(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256036	1	54	-1.0	-47.29	419.80	5.36	-41.93
CCN(CC)C(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256037	0	51	-1.0	-49.08	398.25	4.56	-44.52
CCN(CC)C(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256037	1	51	-1.0	-49.10	398.31	4.59	-44.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020256038	0	47	-1.0	-44.75	377.03	4.83	-39.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020256038	1	47	-1.0	-44.73	377.09	4.85	-39.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020256039	0	44	-1.0	-44.68	360.27	4.17	-40.51
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020256039	1	44	-1.0	-44.71	360.32	4.20	-40.51
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020256040	0	48	-1.0	-41.85	378.11	7.07	-34.78
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020256040	1	48	-1.0	-41.84	378.17	7.08	-34.76
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020256041	0	45	-1.0	-44.31	356.51	6.27	-38.04
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020256041	1	45	-1.0	-44.33	356.57	6.30	-38.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020256042	0	45	-1.0	-43.57	362.80	4.82	-38.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020256042	1	45	-1.0	-43.55	362.85	4.84	-38.71
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020256043	0	42	-1.0	-45.63	341.30	4.04	-41.59
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020256043	1	42	-1.0	-45.68	341.36	4.06	-41.62
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020256044	0	49	-1.0	-45.83	393.56	6.93	-38.90
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020256044	1	49	-1.0	-45.79	393.57	6.92	-38.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)N2CCOCC2)CC1	REAL300020256045	0	49	-1.0	-50.64	392.93	2.52	-48.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)N2CCOCC2)CC1	REAL300020256045	1	49	-1.0	-50.62	392.99	2.54	-48.08
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256046	0	44	-1.0	-43.45	351.74	6.63	-36.82
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256046	1	44	-1.0	-43.38	351.79	6.62	-36.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020256047	0	52	0.0	-71.88	405.36	9.74	-62.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020256047	1	52	0.0	-71.87	405.42	9.75	-62.12
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020256048	0	49	0.0	-72.08	384.96	8.99	-63.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020256048	1	49	0.0	-72.11	385.02	9.01	-63.10
COC(=O)C1=C(C)OC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020256049	0	45	-1.0	-41.75	386.48	6.59	-35.16
COC(=O)C1=C(C)OC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020256049	1	45	-1.0	-41.79	386.54	6.60	-35.19
COC(=O)C1=C(C)OC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020256050	0	42	-1.0	-43.45	366.03	5.85	-37.60
COC(=O)C1=C(C)OC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020256050	1	42	-1.0	-43.44	366.09	5.88	-37.56
CCOC1=CC=C(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020256051	0	55	-1.0	-43.18	432.84	6.88	-36.30
CCOC1=CC=C(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256051	1	55	-1.0	-43.23	432.90	6.90	-36.33
CCOC1=CC=C(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256051	1	56	0.0	-73.03	434.28	9.12	-63.91
CCOC1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020256052	0	52	-1.0	-45.42	411.35	6.10	-39.32
CCOC1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256052	1	52	-1.0	-45.40	411.40	6.12	-39.28
CCOC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256052	1	53	0.0	-70.59	412.78	8.34	-62.25
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020256053	0	41	-1.0	-42.99	340.14	4.27	-38.72
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020256053	1	41	-1.0	-42.98	340.20	4.28	-38.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020256054	0	38	-1.0	-44.84	318.66	3.48	-41.36
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020256054	1	38	-1.0	-44.84	318.72	3.51	-41.33
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020256055	0	45	-1.0	-43.87	365.38	5.66	-38.21
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020256055	1	45	-1.0	-43.88	365.40	5.65	-38.23
COCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256056	0	45	-1.0	-42.97	355.11	2.76	-40.21
COCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256056	1	45	-1.0	-42.97	355.17	2.78	-40.19
COCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256056	1	46	0.0	-67.07	356.60	5.16	-61.91
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256057	0	42	-1.0	-45.31	333.62	1.98	-43.33
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256057	1	42	-1.0	-45.37	333.68	2.00	-43.37
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256057	1	43	0.0	-67.06	336.20	4.43	-62.63
COCCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256058	0	49	-1.0	-44.65	389.30	4.92	-39.73
COCCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256058	1	49	-1.0	-44.67	389.35	4.89	-39.78
COCC[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256058	1	50	0.0	-70.65	394.69	7.03	-63.62
CC1=CC=C(CCC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020256059	0	55	-1.0	-42.14	428.93	11.23	-30.91
CC1=CC=C(CCC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256059	1	55	-1.0	-42.15	428.99	11.25	-30.90
CC1=CC=C(CCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020256060	0	52	-1.0	-45.12	408.53	10.47	-34.65
CC1=CC=C(CCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256060	1	52	-1.0	-45.16	408.59	10.50	-34.66
CCOC1=CC=C(CCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020256061	0	56	-1.0	-46.61	438.48	10.02	-36.59
CCOC1=CC=C(CCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256061	1	56	-1.0	-46.60	438.53	10.05	-36.55
CC1=CC(NC(=O)CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=NO1	REAL300020256062	0	48	-1.0	-50.54	390.80	3.67	-46.87
CC1=CC(NC(=O)CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=NO1	REAL300020256062	1	48	-1.0	-50.56	390.85	3.69	-46.87
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020256067	0	46	-1.0	-47.59	363.79	3.60	-43.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020256067	1	46	-1.0	-47.59	363.85	3.61	-43.98
CC(C)OCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256070	0	51	-1.0	-42.73	397.24	4.50	-38.23
CC(C)OCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256070	1	51	-1.0	-42.71	397.30	4.52	-38.19
CC(C)OCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256070	1	52	0.0	-67.19	398.73	6.88	-60.31
CC(C)OCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256071	0	48	-1.0	-45.30	375.75	3.71	-41.59
CC(C)OCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256071	1	48	-1.0	-45.33	375.81	3.73	-41.60
CC(C)OCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256071	1	49	0.0	-67.02	378.32	6.13	-60.89
CC(C)OCCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256072	0	55	-1.0	-44.38	431.43	6.65	-37.73
CC(C)OCC[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256072	1	56	0.0	-70.78	436.81	8.75	-62.03
CC(C)OCCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256072	1	55	-1.0	-44.35	431.48	6.62	-37.73
CN(CCC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256077	0	43	-1.0	-42.58	342.63	4.78	-37.80
CN(CCC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256077	1	43	-1.0	-42.56	342.69	4.80	-37.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020256080	0	41	-1.0	-42.31	324.50	4.93	-37.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020256080	1	41	-1.0	-42.27	324.56	4.96	-37.31
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020256081	0	48	-1.0	-43.86	370.44	7.77	-36.09
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020256081	1	48	-1.0	-43.86	370.48	7.76	-36.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020256082	0	50	0.0	-68.96	373.61	5.92	-63.04
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020256082	1	50	0.0	-68.96	373.67	5.94	-63.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020256083	0	47	0.0	-68.78	353.21	5.17	-63.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020256083	1	47	0.0	-68.79	353.27	5.20	-63.59
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020256084	0	54	0.0	-72.56	411.99	7.84	-64.72
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020256084	1	54	0.0	-72.54	412.05	7.83	-64.71
CN(CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256085	0	45	-1.0	-43.62	378.82	7.10	-36.52
CN(CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256085	1	45	-1.0	-43.63	378.88	7.11	-36.52
CN(CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256086	0	42	-1.0	-49.65	357.09	6.13	-43.52
CN(CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256086	1	42	-1.0	-49.68	357.15	6.15	-43.53
COC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020256087	0	47	-1.0	-43.01	375.93	7.38	-35.63
COC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020256087	1	47	-1.0	-43.03	375.99	7.40	-35.63
COC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020256088	0	44	-1.0	-46.23	355.55	6.62	-39.61
COC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020256088	1	44	-1.0	-46.20	355.61	6.65	-39.55
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)C2=CC=C(F)C=C2)C1	REAL300020256089	0	48	-1.0	-48.69	392.92	8.91	-39.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)C2=CC=C(F)C=C2)C1	REAL300020256089	1	48	-1.0	-48.70	392.98	8.92	-39.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)C2=CC=C(F)C=C2)C1	REAL300020256090	0	45	-1.0	-51.29	371.45	8.11	-43.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)C2=CC=C(F)C=C2)C1	REAL300020256090	1	45	-1.0	-51.30	371.51	8.14	-43.16
CC1CCCCN1C(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256091	0	55	-1.0	-48.05	412.51	5.29	-42.76
CC1CCCCN1C(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256091	1	55	-1.0	-48.04	412.56	5.31	-42.73
CC1=CSC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256092	0	44	-1.0	-42.74	366.93	5.12	-37.62
CC1=CSC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256092	1	44	-1.0	-42.77	366.98	5.13	-37.64
CC1=CSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256093	0	41	-1.0	-44.63	345.31	4.33	-40.30
CC1=CSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256093	1	41	-1.0	-44.64	345.37	4.36	-40.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])N=C2)CC1	REAL300020256094	0	46	-1.0	-49.24	380.85	6.26	-42.98
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])N=C2)CC1	REAL300020256094	1	46	-1.0	-49.24	380.79	6.25	-42.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])N=C2)CC1	REAL300020256095	0	43	-1.0	-48.69	365.15	5.48	-43.21
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])N=C2)CC1	REAL300020256095	1	43	-1.0	-48.72	365.09	5.45	-43.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020256096	0	53	0.0	-72.73	395.38	6.94	-65.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020256097	0	50	0.0	-74.51	374.91	6.16	-68.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020256097	1	50	0.0	-74.52	374.97	6.19	-68.33
CCCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256098	0	57	0.0	-71.55	423.13	9.65	-61.90
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256098	1	57	0.0	-71.29	423.14	9.65	-61.64
CCCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256098	1	57	0.0	-71.57	423.19	9.67	-61.90
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256098	1	57	0.0	-71.28	423.20	9.67	-61.61
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256099	0	54	0.0	-70.65	401.63	8.86	-61.79
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256099	1	54	0.0	-73.29	402.74	8.90	-64.39
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256099	1	54	0.0	-70.69	401.69	8.88	-61.81
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256099	1	54	0.0	-73.29	402.80	8.92	-64.37
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020256100	0	58	0.0	-70.64	414.06	9.54	-61.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020256100	1	58	0.0	-70.65	414.12	9.55	-61.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020256101	0	55	0.0	-68.94	398.40	8.64	-60.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020256101	1	55	0.0	-68.93	398.46	8.67	-60.26
CN(CC1=C(Cl)C=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256102	0	39	-1.0	-42.86	345.30	7.77	-35.09
CN(CC1=C(Cl)C=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256102	1	39	-1.0	-42.84	345.36	7.79	-35.05
CN(CC1=C(Cl)C=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256103	0	36	-1.0	-46.26	324.77	7.02	-39.24
CN(CC1=C(Cl)C=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256103	1	36	-1.0	-46.20	324.83	7.05	-39.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020256104	0	47	-1.0	-52.39	380.28	1.72	-50.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020256104	1	47	-1.0	-52.37	380.34	1.74	-50.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020256105	0	44	-1.0	-54.10	363.46	1.53	-52.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020256105	1	44	-1.0	-54.07	363.52	1.55	-52.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(Cl)C=C2)CC1	REAL300020256106	0	45	-1.0	-44.04	381.72	8.59	-35.45
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(Cl)C=C2)CC1	REAL300020256106	1	45	-1.0	-44.05	381.77	8.62	-35.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020256107	0	49	0.0	-71.20	395.65	8.84	-62.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CC=CS2)CC1	REAL300020256107	1	48	-1.0	-41.65	394.11	6.60	-35.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CC=CS2)CC1	REAL300020256107	1	48	-1.0	-41.61	394.17	6.61	-35.00
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020256108	0	46	0.0	-67.79	374.10	8.03	-59.76
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020256108	1	46	0.0	-67.83	374.15	8.06	-59.77
CC1=CC(C)=NC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256109	0	49	-1.0	-44.35	399.85	7.19	-37.16
CC1=CC(C)=NC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256109	1	49	-1.0	-44.36	399.90	7.21	-37.15
CC1=CC(C)=NC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256110	0	46	-1.0	-47.13	371.50	6.39	-40.74
CC1=CC(C)=NC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256110	1	46	-1.0	-47.13	371.56	6.42	-40.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020256111	0	46	-1.0	-40.71	371.35	8.73	-31.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020256111	1	46	-1.0	-40.69	371.41	8.74	-31.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020256112	0	43	-1.0	-42.43	350.90	7.95	-34.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020256112	1	43	-1.0	-42.41	350.96	7.98	-34.43
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020256113	0	50	-1.0	-43.72	399.66	10.82	-32.90
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020256113	1	50	-1.0	-43.83	399.44	10.81	-33.02
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)CC1	REAL300020256114	0	47	-1.0	-42.26	389.26	8.48	-33.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)CC1	REAL300020256114	1	47	-1.0	-42.21	389.31	8.49	-33.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)CC1	REAL300020256115	0	44	-1.0	-42.90	367.76	7.69	-35.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)CC1	REAL300020256115	1	44	-1.0	-42.88	367.82	7.71	-35.17
CN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256116	0	38	-1.0	-53.87	333.41	1.49	-52.38
CN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256116	1	38	-1.0	-53.89	333.47	1.51	-52.38
CN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256117	0	35	-1.0	-54.70	312.93	0.75	-53.95
CN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256117	1	35	-1.0	-54.73	312.99	0.78	-53.95
CN(CCS(C)(=O)=O)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256118	0	42	-1.0	-55.73	365.59	3.61	-52.12
CN(CCS(C)(=O)=O)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256118	1	42	-1.0	-55.72	365.64	3.60	-52.12
COC1=CC=C(OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020256119	0	51	-1.0	-42.35	402.73	7.20	-35.15
COC1=CC=C(OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256119	1	51	-1.0	-42.33	402.79	7.21	-35.12
COC1=CC=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020256120	0	48	-1.0	-43.28	381.24	6.40	-36.88
COC1=CC=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256120	1	48	-1.0	-43.25	381.29	6.43	-36.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020256121	0	44	-1.0	-41.53	380.99	7.22	-34.31
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020256121	1	44	-1.0	-41.54	381.05	7.24	-34.30
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020256122	0	41	-1.0	-44.01	359.12	6.60	-37.41
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020256122	1	41	-1.0	-44.01	359.17	6.62	-37.39
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=N2)CC1	REAL300020256123	0	48	-1.0	-46.65	394.64	2.57	-44.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=N2)CC1	REAL300020256123	1	48	-1.0	-46.65	394.58	2.55	-44.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=N2)CC1	REAL300020256124	0	45	-1.0	-50.14	367.33	1.81	-48.33
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=N2)CC1	REAL300020256124	1	45	-1.0	-50.10	367.27	1.79	-48.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020256125	0	45	-1.0	-42.55	376.57	7.39	-35.16
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020256125	1	45	-1.0	-42.57	376.63	7.41	-35.16
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020256126	0	42	-1.0	-45.24	353.98	6.57	-38.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020256126	1	42	-1.0	-45.22	354.03	6.60	-38.62
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1C	REAL300020256127	0	51	-1.0	-41.26	397.55	8.33	-32.93
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1C	REAL300020256127	1	51	-1.0	-41.28	397.60	8.34	-32.94
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1C	REAL300020256128	0	48	-1.0	-43.75	375.93	7.54	-36.21
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1C	REAL300020256128	1	48	-1.0	-43.79	375.99	7.57	-36.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300020256129	0	45	-1.0	-49.96	378.51	4.43	-45.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300020256129	1	45	-1.0	-49.98	378.57	4.46	-45.52
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC12CCCCC2	REAL300020256130	0	53	-1.0	-46.72	390.33	7.46	-39.26
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC12CCCCC2	REAL300020256130	1	53	-1.0	-46.76	390.39	7.48	-39.28
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC12CCCCC2	REAL300020256131	0	50	-1.0	-49.14	367.12	6.65	-42.49
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC12CCCCC2	REAL300020256131	1	50	-1.0	-49.16	367.17	6.68	-42.48
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256132	0	41	-1.0	-42.66	355.12	6.66	-36.00
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256132	1	41	-1.0	-42.64	355.18	6.67	-35.97
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256133	0	38	-1.0	-44.93	329.56	6.76	-38.17
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256133	1	38	-1.0	-44.91	329.62	6.78	-38.13
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256134	0	51	-1.0	-41.64	393.16	8.85	-32.79
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256134	1	51	-1.0	-41.67	393.22	8.86	-32.81
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256135	0	48	-1.0	-44.15	372.77	8.09	-36.06
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256135	1	48	-1.0	-44.16	372.82	8.11	-36.05
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)C2(CCCCC2)C1	REAL300020256136	0	49	-1.0	-46.06	377.56	4.92	-41.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)C2(CCCCC2)C1	REAL300020256136	1	49	-1.0	-46.05	377.62	4.94	-41.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)C2(CCCCC2)C1	REAL300020256137	0	46	-1.0	-47.11	355.13	4.11	-43.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)C2(CCCCC2)C1	REAL300020256137	1	46	-1.0	-47.10	355.18	4.14	-42.96
COC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1F	REAL300020256138	0	49	-1.0	-44.08	398.17	5.73	-38.35
COC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1F	REAL300020256138	1	49	-1.0	-44.16	398.23	5.75	-38.41
COC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1F	REAL300020256139	0	46	-1.0	-46.48	370.81	4.97	-41.51
COC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1F	REAL300020256139	1	46	-1.0	-46.50	370.87	4.99	-41.51
COC1=CC(OC)=CC(OCCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020256140	0	51	-1.0	-46.03	419.65	5.20	-40.83
COC1=CC(OC)=CC(OCCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020256140	1	51	-1.0	-46.01	419.71	5.22	-40.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020256141	0	45	-1.0	-43.52	360.92	4.35	-39.17
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020256141	1	45	-1.0	-43.54	360.97	4.36	-39.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020256142	0	42	-1.0	-47.25	331.97	3.73	-43.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020256142	1	42	-1.0	-47.26	332.02	3.75	-43.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020256143	0	49	-1.0	-45.55	388.96	6.22	-39.33
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020256143	1	49	-1.0	-45.53	388.99	6.21	-39.32
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256144	0	43	-1.0	-43.24	344.06	8.09	-35.15
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256144	1	43	-1.0	-43.25	344.12	8.07	-35.18
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020256145	0	44	-1.0	-43.42	347.13	8.49	-34.93
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020256145	1	44	-1.0	-43.36	347.20	8.47	-34.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020256146	0	47	-1.0	-43.70	380.27	9.66	-34.04
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020256146	1	47	-1.0	-43.72	380.33	9.67	-34.05
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020256147	0	44	-1.0	-46.03	357.68	8.83	-37.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020256147	1	44	-1.0	-46.03	357.74	8.85	-37.18
CN(CCOCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256148	0	46	-1.0	-42.10	384.94	7.04	-35.06
CN(CCOCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256148	1	46	-1.0	-42.12	385.00	7.06	-35.06
CN(CCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256149	0	43	-1.0	-43.79	364.45	6.32	-37.47
CN(CCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256149	1	43	-1.0	-43.80	364.51	6.35	-37.45
CN(CCOCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256150	0	50	-1.0	-43.84	417.11	9.18	-34.66
CN(CCOCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256150	1	50	-1.0	-43.76	417.15	9.17	-34.59
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL300020256151	0	39	-1.0	-44.77	327.63	5.89	-38.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL300020256151	1	39	-1.0	-44.77	327.68	5.91	-38.86
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL300020256152	0	36	-1.0	-46.01	306.17	5.12	-40.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL300020256152	1	36	-1.0	-46.00	306.23	5.14	-40.86
CN(CC1=CC=CC(Cl)=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256153	0	39	-1.0	-41.49	361.61	7.95	-33.54
CN(CC1=CC=CC(Cl)=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256153	1	39	-1.0	-41.46	361.67	7.96	-33.50
CN(CC1=CC=CC(Cl)=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256154	0	36	-1.0	-42.24	330.62	7.43	-34.81
CN(CC1=CC=CC(Cl)=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256154	1	36	-1.0	-42.25	330.68	7.45	-34.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(Cl)=C2)C(=O)C1	REAL300020256155	0	44	-1.0	-44.35	379.97	7.20	-37.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(Cl)=C2)C(=O)C1	REAL300020256155	1	44	-1.0	-44.40	380.03	7.23	-37.17
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020256156	0	47	-1.0	-43.73	370.26	5.95	-37.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020256156	1	47	-1.0	-43.76	370.32	5.96	-37.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020256157	0	44	-1.0	-46.40	348.77	5.16	-41.24
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020256157	1	44	-1.0	-46.40	348.83	5.19	-41.21
CC1=NOC(C2(C)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256158	0	47	-1.0	-47.59	379.87	4.81	-42.78
CC1=NOC(C2(C)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256158	1	47	-1.0	-47.54	379.92	4.82	-42.72
CC1=NOC(C2(C)CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256159	0	44	-1.0	-50.14	358.37	4.02	-46.12
CC1=NOC(C2(C)CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256159	1	44	-1.0	-50.15	358.42	4.05	-46.10
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020256160	0	38	-1.0	-47.12	325.68	6.98	-40.14
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020256160	1	38	-1.0	-47.06	325.73	6.98	-40.08
CC(C)COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020256161	0	46	-1.0	-40.82	365.07	6.11	-34.71
CC(C)COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020256161	1	46	-1.0	-40.85	365.12	6.13	-34.72
CC(C)COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020256162	0	43	-1.0	-44.28	346.41	5.42	-38.86
CC(C)COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020256162	1	43	-1.0	-44.33	346.47	5.44	-38.89
CC(C)COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256163	0	50	-1.0	-43.15	396.37	8.16	-34.99
CC(C)COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256163	1	50	-1.0	-43.08	396.43	8.15	-34.93
CN(C)C(=O)CN1N=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCN2C1=O	REAL300020256164	0	47	-1.0	-53.60	387.41	4.10	-49.50
CN(C)C(=O)CN1N=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCN2C1=O	REAL300020256164	1	47	-1.0	-53.56	387.46	4.12	-49.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(CC(F)F)N=C2C1	REAL300020256165	0	43	-1.0	-49.09	365.14	5.49	-43.60
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(CC(F)F)N=C2C1	REAL300020256165	1	43	-1.0	-49.14	365.20	5.50	-43.64
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(CC(F)F)N=C2C1	REAL300020256166	0	40	-1.0	-49.41	343.64	4.71	-44.70
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(CC(F)F)N=C2C1	REAL300020256166	1	40	-1.0	-49.43	343.70	4.73	-44.70
CCOC1=CC(NC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=NC=N1	REAL300020256167	0	53	-1.0	-43.12	429.79	5.62	-37.50
CCOC1=CC(NC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=NC=N1	REAL300020256167	1	53	-1.0	-43.11	429.73	5.60	-37.51
CCOC1=CC(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=NC=N1	REAL300020256168	0	50	-1.0	-45.11	408.30	4.85	-40.26
CCOC1=CC(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=NC=N1	REAL300020256168	1	50	-1.0	-45.13	408.25	4.82	-40.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CC3=C(Cl)C=CC=C32)C1	REAL300020256169	0	44	-1.0	-42.32	375.82	9.12	-33.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CC3=C(Cl)C=CC=C32)C1	REAL300020256169	1	44	-1.0	-42.33	375.88	9.13	-33.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CC3=C(Cl)C=CC=C32)C1	REAL300020256170	0	41	-1.0	-44.17	354.33	8.33	-35.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CC3=C(Cl)C=CC=C32)C1	REAL300020256170	1	41	-1.0	-44.19	354.38	8.36	-35.83
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CC3=CC=C(Cl)C=C32)C1	REAL300020256171	0	44	-1.0	-41.62	375.68	9.10	-32.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CC3=CC=C(Cl)C=C32)C1	REAL300020256171	1	44	-1.0	-41.61	375.74	9.12	-32.49
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CC3=CC=C(Cl)C=C32)C1	REAL300020256172	0	41	-1.0	-43.81	354.19	8.32	-35.49
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CC3=CC=C(Cl)C=C32)C1	REAL300020256172	1	41	-1.0	-43.85	354.24	8.34	-35.51
CN(CC1=CC=CC(OC(F)(F)F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256173	0	43	-1.0	-40.29	368.08	6.92	-33.37
CN(CC1=CC=CC(OC(F)(F)F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256173	1	43	-1.0	-40.29	368.13	6.94	-33.35
CN(CC1=CC=CC(OC(F)(F)F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256174	0	40	-1.0	-42.44	347.51	6.17	-36.27
CN(CC1=CC=CC(OC(F)(F)F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256174	1	40	-1.0	-42.45	347.57	6.20	-36.25
CC(C)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256175	0	51	-1.0	-39.84	392.77	8.79	-31.05
CC(C)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256175	1	51	-1.0	-39.84	392.83	8.81	-31.03
CC(C)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256176	0	48	-1.0	-43.55	366.27	8.08	-35.47
CC(C)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256176	1	48	-1.0	-43.59	366.33	8.11	-35.48
CC(C)CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256177	0	55	-1.0	-42.81	418.89	10.95	-31.86
CC(C)CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256177	1	55	-1.0	-42.78	418.93	10.93	-31.85
COC1=CC=CC(C=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020256178	0	51	-1.0	-43.72	403.16	8.86	-34.86
COC1=CC=CC(C=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020256178	1	51	-1.0	-43.68	403.22	8.88	-34.80
COC1=CC=CC(C=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020256179	0	48	-1.0	-46.03	380.56	8.03	-38.00
COC1=CC=CC(C=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020256179	1	48	-1.0	-46.01	380.62	8.06	-37.95
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256180	0	48	-1.0	-40.58	365.07	8.04	-32.54
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256180	1	48	-1.0	-40.61	365.13	8.06	-32.55
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256181	0	45	-1.0	-43.40	344.36	7.27	-36.13
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256181	1	45	-1.0	-43.46	344.42	7.30	-36.16
CC(C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256182	0	52	-1.0	-42.86	396.71	10.13	-32.73
CC(C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256182	1	52	-1.0	-42.83	396.76	10.13	-32.70
CC(C)OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256183	0	46	-1.0	-40.57	356.66	6.06	-34.51
CC(C)OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256183	1	46	-1.0	-40.60	356.72	6.07	-34.53
CC(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256184	0	43	-1.0	-43.74	336.25	5.30	-38.44
CC(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256184	1	43	-1.0	-43.81	336.31	5.32	-38.49
CC(C)OC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256185	0	50	-1.0	-43.15	388.61	8.16	-34.99
CC(C)OC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256185	1	50	-1.0	-43.09	388.65	8.16	-34.93
CCC1=C2NC=C(C3CCN(C4=NN=C(CC5=N[N-]N=N5)N4C)CC3)C2=CC=C1	REAL300020256186	0	53	-1.0	-45.68	426.67	9.46	-36.22
CCC1=C2NC=C(C3CCN(C4=NN=C(CC5=NN=N[N-]5)N4C)CC3)C2=CC=C1	REAL300020256186	1	53	-1.0	-45.72	426.72	9.48	-36.24
CN(CC1=COC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256187	0	40	-1.0	-43.63	337.17	7.16	-36.47
CN(CC1=COC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256187	1	40	-1.0	-43.61	337.21	7.16	-36.45
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020256188	0	48	0.0	-60.59	360.39	6.51	-54.08
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020256188	1	48	0.0	-60.61	360.45	6.52	-54.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020256189	0	45	0.0	-59.34	331.49	5.91	-53.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020256189	1	45	0.0	-59.36	331.55	5.93	-53.43
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020256190	0	52	0.0	-66.14	391.43	8.61	-57.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020256190	1	52	0.0	-66.16	391.37	8.62	-57.54
CC1=NOC(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=N1	REAL300020256191	0	44	-1.0	-45.33	359.19	4.67	-40.66
CC1=NOC(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=N1	REAL300020256191	1	44	-1.0	-45.36	359.25	4.68	-40.68
CC1=NOC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=N1	REAL300020256192	0	41	-1.0	-48.10	338.70	3.91	-44.19
CC1=NOC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=N1	REAL300020256192	1	41	-1.0	-48.09	338.75	3.93	-44.16
CC1=NOC(C2CCCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C2)=N1	REAL300020256193	0	48	-1.0	-48.08	391.17	6.77	-41.31
CC1=NOC(C2CCCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C2)=N1	REAL300020256193	1	48	-1.0	-48.12	391.20	6.76	-41.36
CC1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256194	0	44	-1.0	-43.63	359.21	4.67	-38.96
CC1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256194	1	44	-1.0	-43.60	359.26	4.69	-38.91
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256195	0	41	-1.0	-46.35	338.80	3.92	-42.43
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256195	1	41	-1.0	-46.34	338.86	3.94	-42.40
CC1=NOC(C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2)=N1	REAL300020256196	0	48	-1.0	-46.53	391.16	6.77	-39.76
CC1=NOC(C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2)=N1	REAL300020256196	1	48	-1.0	-46.55	391.20	6.76	-39.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020256197	0	44	-1.0	-41.96	371.58	3.77	-38.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020256197	1	44	-1.0	-42.02	371.64	3.78	-38.24
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020256198	0	41	-1.0	-44.24	350.08	2.98	-41.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020256198	1	41	-1.0	-44.24	350.14	3.01	-41.23
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)S1	REAL300020256199	0	47	-1.0	-46.74	389.92	6.86	-39.88
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)S1	REAL300020256199	1	47	-1.0	-46.76	389.98	6.88	-39.88
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)S1	REAL300020256200	0	44	-1.0	-48.64	368.43	6.08	-42.56
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)S1	REAL300020256200	1	44	-1.0	-48.66	368.49	6.10	-42.56
CN(CCC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256201	0	42	-1.0	-42.70	357.83	7.80	-34.90
CN(CCC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256201	1	42	-1.0	-42.70	357.89	7.81	-34.89
CN(CCC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256202	0	39	-1.0	-44.83	335.33	6.95	-37.88
CN(CCC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256202	1	39	-1.0	-44.84	335.39	6.98	-37.86
CN(CCC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256203	0	46	-1.0	-45.25	384.26	10.01	-35.24
CN(CCC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256203	1	46	-1.0	-45.15	384.30	9.99	-35.16
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256204	0	45	-1.0	-42.52	351.01	8.40	-34.12
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256204	1	45	-1.0	-42.52	351.04	8.39	-34.13
CN(CC1CCCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256205	0	43	-1.0	-42.42	338.14	5.36	-37.06
CN(CC1CCCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256205	1	43	-1.0	-42.45	338.19	5.37	-37.08
CN(CC1CCCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256206	0	47	-1.0	-44.80	370.29	7.49	-37.31
CN(CC1CCCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256206	1	47	-1.0	-44.82	370.32	7.47	-37.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020256207	0	40	-1.0	-42.05	333.69	3.28	-38.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020256207	1	40	-1.0	-42.10	333.75	3.29	-38.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020256208	0	37	-1.0	-42.62	318.22	2.44	-40.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020256208	1	37	-1.0	-42.68	318.28	2.47	-40.21
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020256209	0	44	-1.0	-45.31	364.79	5.37	-39.94
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020256209	1	44	-1.0	-45.29	364.86	5.35	-39.94
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256210	0	43	-1.0	-47.66	356.62	3.90	-43.76
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256210	1	43	-1.0	-47.69	356.67	3.92	-43.77
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256211	0	40	-1.0	-56.03	336.37	3.17	-52.86
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256211	1	40	-1.0	-56.02	336.32	3.15	-52.87
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256212	0	47	-1.0	-52.97	388.68	6.03	-46.94
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256212	1	47	-1.0	-52.91	388.71	6.02	-46.89
CCCCCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256213	0	53	-1.0	-39.69	420.26	9.40	-30.29
CCCCCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256213	1	53	-1.0	-39.71	420.32	9.41	-30.30
CCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256214	0	50	-1.0	-41.46	399.79	8.67	-32.79
CCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256214	1	50	-1.0	-41.45	399.84	8.69	-32.76
CCCCCCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256215	0	57	-1.0	-41.75	452.44	11.51	-30.24
CCCCCCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256215	1	57	-1.0	-41.73	452.49	11.50	-30.23
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=CO1	REAL300020256216	0	39	-1.0	-41.58	325.33	5.98	-35.60
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=CO1	REAL300020256216	1	39	-1.0	-41.58	325.39	5.99	-35.59
CC1=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=CO1	REAL300020256217	0	43	-1.0	-44.09	357.34	8.08	-36.01
CC1=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=CO1	REAL300020256217	1	43	-1.0	-44.03	357.37	8.07	-35.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020256218	0	49	-1.0	-39.77	379.41	6.50	-33.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020256218	1	49	-1.0	-39.81	379.46	6.52	-33.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020256219	0	46	-1.0	-43.71	354.62	5.83	-37.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020256219	1	46	-1.0	-43.74	354.68	5.85	-37.89
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020256220	0	53	-1.0	-43.08	405.67	8.66	-34.42
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020256220	1	53	-1.0	-43.04	405.71	8.66	-34.38
CC1=CC=C(C)C(OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020256221	0	53	-1.0	-41.42	414.71	9.35	-32.07
CC1=CC=C(C)C(OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020256221	1	53	-1.0	-41.44	414.77	9.37	-32.07
CC1=CC=C(C)C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020256222	0	50	-1.0	-42.20	399.88	8.49	-33.71
CC1=CC=C(C)C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020256222	1	50	-1.0	-42.19	399.94	8.52	-33.67
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300020256223	0	47	-1.0	-49.25	386.41	8.36	-40.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300020256223	1	47	-1.0	-49.25	386.47	8.37	-40.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300020256224	0	44	-1.0	-50.87	364.86	7.56	-43.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300020256224	1	44	-1.0	-50.81	364.92	7.58	-43.23
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256225	0	51	-1.0	-40.97	399.44	9.48	-31.49
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256225	1	51	-1.0	-40.97	399.49	9.50	-31.47
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256226	0	48	-1.0	-44.17	377.73	8.70	-35.47
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256226	1	48	-1.0	-44.16	377.79	8.73	-35.43
CN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256227	0	39	-1.0	-40.84	328.49	7.20	-33.64
CN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256227	1	39	-1.0	-40.86	328.54	7.21	-33.65
CN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256228	0	36	-1.0	-42.96	307.98	6.47	-36.49
CN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256228	1	36	-1.0	-42.94	307.92	6.45	-36.49
CN(CC1=CC=CC(F)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256229	0	43	-1.0	-43.34	360.33	9.32	-34.02
CN(CC1=CC=CC(F)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256229	1	43	-1.0	-43.36	360.35	9.31	-34.05
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256230	0	42	-1.0	-40.95	341.30	7.85	-33.10
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256230	1	42	-1.0	-40.96	341.36	7.86	-33.10
CC1=CC=CC=C1CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256231	0	46	-1.0	-43.34	372.92	9.92	-33.42
CC1=CC=CC=C1CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256231	1	46	-1.0	-43.32	372.96	9.89	-33.43
CN(CC1=CC=C(OC(F)F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256232	0	43	-1.0	-43.34	362.53	6.74	-36.60
CN(CC1=CC=C(OC(F)F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256232	1	43	-1.0	-43.36	362.59	6.76	-36.60
CN(CC1=CC=C(OC(F)F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256233	0	40	-1.0	-47.53	340.78	5.96	-41.57
CN(CC1=CC=C(OC(F)F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256233	1	40	-1.0	-47.56	340.82	5.99	-41.57
CC(C)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020256234	0	48	-1.0	-40.96	383.50	9.09	-31.87
CC(C)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020256234	1	48	-1.0	-40.97	383.56	9.11	-31.86
CC(C)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020256235	0	45	-1.0	-44.12	361.80	8.33	-35.79
CC(C)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020256235	1	45	-1.0	-44.15	361.76	8.31	-35.84
CC(C)C1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020256236	0	52	-1.0	-42.31	417.06	11.08	-31.23
CC(C)C1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020256236	1	52	-1.0	-42.29	417.09	11.07	-31.22
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2C)=C1	REAL300020256237	0	51	-1.0	-40.39	405.74	7.62	-32.77
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2C)=C1	REAL300020256237	1	51	-1.0	-40.35	405.79	7.64	-32.71
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2C)=C1	REAL300020256238	0	48	-1.0	-42.88	383.40	6.82	-36.06
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2C)=C1	REAL300020256238	1	48	-1.0	-42.93	383.46	6.84	-36.09
CN(CC1=CC=C(Br)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256240	0	36	-1.0	-43.15	322.81	7.00	-36.15
CN(CC1=CC=C(Br)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256240	1	36	-1.0	-43.15	322.87	7.03	-36.12
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256241	0	39	-1.0	-40.38	338.80	7.65	-32.73
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256241	1	39	-1.0	-40.40	338.86	7.66	-32.74
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256242	0	36	-1.0	-43.26	318.30	6.92	-36.34
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256242	1	36	-1.0	-43.26	318.25	6.90	-36.36
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256243	0	43	-1.0	-43.10	370.64	9.77	-33.33
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256243	1	43	-1.0	-43.05	370.67	9.77	-33.28
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256244	0	47	-1.0	-42.48	381.36	7.64	-34.84
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256244	1	47	-1.0	-42.51	381.42	7.65	-34.86
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256245	0	44	-1.0	-44.21	360.88	6.90	-37.31
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256245	1	44	-1.0	-44.19	360.94	6.92	-37.27
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256246	0	51	-1.0	-44.57	413.54	9.76	-34.81
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256246	1	51	-1.0	-44.56	413.59	9.75	-34.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020256248	0	50	0.0	-69.55	390.96	9.24	-60.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020256248	1	50	0.0	-69.57	391.01	9.27	-60.30
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1C	REAL300020256249	0	45	0.0	-64.72	341.85	6.48	-58.24
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1C	REAL300020256249	1	45	0.0	-63.11	342.80	6.62	-56.49
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1C	REAL300020256249	1	44	-1.0	-40.95	338.14	4.27	-36.68
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1C	REAL300020256249	1	44	-1.0	-40.94	338.19	4.29	-36.65
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1C	REAL300020256250	0	49	0.0	-70.60	372.66	8.57	-62.03
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1C	REAL300020256250	1	49	0.0	-67.62	378.98	8.33	-59.29
CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1C	REAL300020256250	1	48	-1.0	-43.35	366.97	6.07	-37.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020256251	0	47	-1.0	-49.95	373.41	6.08	-43.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020256251	1	47	-1.0	-49.91	373.47	6.09	-43.82
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020256252	0	44	-1.0	-52.40	352.99	5.30	-47.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020256252	1	44	-1.0	-52.40	353.05	5.33	-47.07
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020256253	0	51	-1.0	-52.14	400.95	8.34	-43.80
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020256253	1	51	-1.0	-52.08	400.98	8.33	-43.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(O)C2=CC=C(F)C=C2)CC1	REAL300020256254	0	50	-1.0	-44.44	393.81	6.85	-37.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(O)C2=CC=C(F)C=C2)CC1	REAL300020256254	1	50	-1.0	-44.37	393.87	6.86	-37.51
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(O)C2=CC=C(F)C=C2)CC1	REAL300020256255	0	47	-1.0	-46.07	372.32	6.05	-40.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(O)C2=CC=C(F)C=C2)CC1	REAL300020256255	1	47	-1.0	-46.11	372.37	6.08	-40.03
CN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256256	0	43	-1.0	-42.79	338.55	5.45	-37.34
CN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256256	1	43	-1.0	-42.78	338.61	5.47	-37.31
CN(CC1CCOCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256257	0	47	-1.0	-45.14	369.39	7.59	-37.55
CN(CC1CCOCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256257	1	47	-1.0	-45.12	369.42	7.58	-37.54
C=C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256258	0	41	-1.0	-43.13	331.49	8.05	-35.08
C=C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256258	1	41	-1.0	-43.15	331.51	8.04	-35.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(O)C2=CC=C(Cl)C=C2)CC1	REAL300020256259	0	47	-1.0	-45.48	382.64	6.51	-38.97
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(O)C2=CC=C(Cl)C=C2)CC1	REAL300020256259	1	47	-1.0	-45.45	382.70	6.53	-38.92
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C)N1C(=O)OC(C)(C)C	REAL300020256260	0	56	-1.0	-42.29	424.10	7.61	-34.68
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C)N1C(=O)OC(C)(C)C	REAL300020256260	1	56	-1.0	-42.31	424.16	7.62	-34.69
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C)N1C(=O)OC(C)(C)C	REAL300020256261	0	53	-1.0	-43.85	402.61	6.83	-37.02
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C)N1C(=O)OC(C)(C)C	REAL300020256261	1	53	-1.0	-43.88	402.67	6.85	-37.03
CCN(C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1)S(C)(=O)=O	REAL300020256262	0	50	-1.0	-50.12	395.28	3.91	-46.21
CCN(C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1)S(C)(=O)=O	REAL300020256262	1	50	-1.0	-50.11	395.34	3.93	-46.18
CCN(C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1)S(C)(=O)=O	REAL300020256263	0	47	-1.0	-51.10	379.39	3.13	-47.97
CCN(C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1)S(C)(=O)=O	REAL300020256263	1	47	-1.0	-51.12	379.45	3.15	-47.97
CCS(=O)(=O)N(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256264	0	50	-1.0	-47.73	407.70	4.06	-43.67
CCS(=O)(=O)N(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256264	1	50	-1.0	-47.70	407.76	4.08	-43.62
CCS(=O)(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256265	0	47	-1.0	-49.18	386.20	3.27	-45.91
CCS(=O)(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256265	1	47	-1.0	-49.18	386.25	3.29	-45.89
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256266	0	45	-1.0	-41.66	361.44	8.39	-33.27
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256266	1	45	-1.0	-41.62	361.48	8.38	-33.24
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020256267	0	40	-1.0	-42.33	325.41	5.76	-36.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020256267	1	40	-1.0	-42.32	325.47	5.78	-36.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020256268	0	37	-1.0	-45.21	303.96	4.99	-40.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020256268	1	37	-1.0	-45.20	303.90	4.97	-40.23
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020256269	0	44	-1.0	-45.69	366.63	8.41	-37.28
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020256269	1	44	-1.0	-45.70	366.67	8.40	-37.30
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020256270	0	45	-1.0	-44.11	377.83	7.99	-36.12
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020256270	1	45	-1.0	-44.15	377.89	8.01	-36.14
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020256271	0	42	-1.0	-46.32	362.29	7.14	-39.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020256271	1	42	-1.0	-46.33	362.35	7.16	-39.17
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256272	0	53	-1.0	-43.24	405.47	6.60	-36.64
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256272	1	53	-1.0	-43.29	405.53	6.62	-36.67
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256273	0	50	-1.0	-45.29	383.97	5.82	-39.47
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256273	1	50	-1.0	-45.34	384.03	5.84	-39.50
C[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256274	0	53	-1.0	-41.62	402.00	6.09	-35.53
C[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256274	1	53	-1.0	-41.63	402.06	6.10	-35.53
C[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256275	0	50	-1.0	-42.54	379.44	5.27	-37.27
C[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256275	1	50	-1.0	-42.50	379.50	5.29	-37.21
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020256276	0	46	-1.0	-41.44	380.70	9.46	-31.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020256276	1	46	-1.0	-41.46	380.75	9.48	-31.98
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020256277	0	43	-1.0	-42.20	366.36	8.66	-33.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020256277	1	43	-1.0	-42.22	366.41	8.68	-33.54
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256278	0	53	-1.0	-43.23	404.32	6.59	-36.64
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256278	1	53	-1.0	-43.26	404.38	6.61	-36.65
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256279	0	50	-1.0	-44.44	389.48	5.59	-38.85
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256279	1	50	-1.0	-44.49	389.54	5.62	-38.87
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020256280	0	43	-1.0	-42.95	352.48	8.02	-34.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020256280	1	43	-1.0	-42.94	352.54	8.03	-34.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020256281	0	40	-1.0	-45.61	330.14	7.31	-38.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020256281	1	40	-1.0	-45.61	330.19	7.34	-38.27
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020256282	0	47	-1.0	-44.91	386.39	10.29	-34.62
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020256282	1	47	-1.0	-44.87	386.42	10.27	-34.60
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3SC=CC3=NC=N2)CC1	REAL300020256283	0	46	-1.0	-44.68	382.82	6.69	-37.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3SC=CC3=NC=N2)CC1	REAL300020256283	1	46	-1.0	-44.66	382.77	6.67	-37.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3SC=CC3=NC=N2)CC1	REAL300020256284	0	43	-1.0	-47.30	361.22	5.91	-41.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3SC=CC3=NC=N2)CC1	REAL300020256284	1	43	-1.0	-47.28	361.16	5.88	-41.40
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020256285	0	43	-1.0	-42.48	341.97	7.29	-35.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020256285	1	43	-1.0	-42.49	342.03	7.30	-35.19
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020256286	0	40	-1.0	-43.14	332.00	7.27	-35.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020256286	1	40	-1.0	-43.15	332.06	7.29	-35.86
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020256287	0	47	-1.0	-45.33	374.01	9.38	-35.95
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020256287	1	47	-1.0	-45.28	374.01	9.36	-35.92
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256288	0	56	-1.0	-42.81	421.36	6.52	-36.29
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1C(=O)OC(C)(C)C	REAL300020256288	1	56	-1.0	-42.78	421.41	6.55	-36.23
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C(F)=C2)CC1	REAL300020256289	0	49	-1.0	-45.09	404.11	9.79	-35.30
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C(F)=C2)CC1	REAL300020256289	1	49	-1.0	-45.09	404.16	9.80	-35.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C(F)=C2)CC1	REAL300020256290	0	46	-1.0	-47.34	382.60	9.00	-38.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C(F)=C2)CC1	REAL300020256290	1	46	-1.0	-47.35	382.66	9.03	-38.32
COC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020256291	0	50	-1.0	-42.69	393.45	8.24	-34.45
COC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256291	1	50	-1.0	-42.70	393.51	8.26	-34.44
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020256292	0	47	-1.0	-43.64	379.11	7.44	-36.20
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256292	1	47	-1.0	-43.63	379.17	7.46	-36.17
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020256293	0	48	-1.0	-39.89	361.85	7.45	-32.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020256293	1	48	-1.0	-39.90	361.91	7.47	-32.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020256294	0	45	-1.0	-41.69	341.40	6.69	-35.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020256294	1	45	-1.0	-41.71	341.46	6.72	-34.99
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020256295	0	52	-1.0	-41.53	394.49	9.39	-32.14
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020256295	1	52	-1.0	-41.56	394.55	9.37	-32.19
CC1=CC=C(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020256296	0	52	-1.0	-42.04	406.66	10.39	-31.65
CC1=CC=C(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256296	1	52	-1.0	-42.05	406.72	10.40	-31.65
CC1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020256297	0	49	-1.0	-44.44	385.17	9.59	-34.85
CC1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020256297	1	49	-1.0	-44.45	385.23	9.62	-34.83
CN(CC1=NC2=C(CCCC2)S1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256298	0	45	-1.0	-41.43	371.97	7.11	-34.32
CN(CC1=NC2=C(CCCC2)S1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256298	1	45	-1.0	-41.36	372.03	7.12	-34.24
CN(CC1=NC2=C(CCCC2)S1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256299	0	42	-1.0	-43.73	351.41	6.36	-37.37
CN(CC1=NC2=C(CCCC2)S1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256299	1	42	-1.0	-43.69	351.47	6.39	-37.30
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256300	0	40	-1.0	-43.37	320.08	7.32	-36.05
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256300	1	40	-1.0	-43.36	320.12	7.31	-36.05
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020256301	0	43	-1.0	-41.17	331.28	6.87	-34.30
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020256301	1	43	-1.0	-41.16	331.32	6.88	-34.28
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020256302	0	47	-1.0	-42.92	361.76	8.77	-34.15
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020256302	1	47	-1.0	-42.89	361.77	8.77	-34.12
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256303	0	55	0.0	-64.02	429.55	10.10	-53.92
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256303	1	55	0.0	-67.22	432.10	9.98	-57.24
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256303	1	55	0.0	-63.99	429.61	10.12	-53.87
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256303	1	55	0.0	-67.19	432.16	9.99	-57.20
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256304	0	52	0.0	-61.01	408.28	9.33	-51.68
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256304	1	52	0.0	-61.35	405.89	9.47	-51.88
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256304	1	52	0.0	-61.03	408.34	9.35	-51.68
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256304	1	52	0.0	-61.34	405.94	9.49	-51.85
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020256305	0	43	-1.0	-40.97	340.80	5.20	-35.77
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020256305	1	43	-1.0	-40.99	340.86	5.21	-35.78
COCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256306	0	47	-1.0	-43.45	372.73	7.31	-36.14
COCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256306	1	47	-1.0	-43.42	372.75	7.30	-36.12
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)S2)C1	REAL300020256307	0	41	-1.0	-42.82	367.13	6.59	-36.23
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)S2)C1	REAL300020256307	1	41	-1.0	-42.77	367.19	6.61	-36.16
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)S2)C1	REAL300020256308	0	38	-1.0	-43.60	351.92	5.58	-38.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)S2)C1	REAL300020256308	1	38	-1.0	-43.63	351.98	5.60	-38.03
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC3=C(C=CO3)S2)CC1	REAL300020256309	0	44	-1.0	-50.41	374.25	5.60	-44.81
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC3=C(C=CO3)S2)CC1	REAL300020256309	1	44	-1.0	-50.41	374.31	5.62	-44.79
CN(CC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256310	0	45	-1.0	-48.73	383.95	4.68	-44.05
CN(CC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256310	1	45	-1.0	-48.75	384.00	4.70	-44.05
CN(CC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256311	0	42	-1.0	-51.67	362.22	3.90	-47.77
CN(CC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256311	1	42	-1.0	-51.66	362.28	3.93	-47.73
CC1=CC=CC(NC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020256312	0	51	-1.0	-41.43	401.03	8.00	-33.43
CC1=CC=CC(NC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020256312	1	51	-1.0	-41.43	401.08	8.02	-33.41
CC1=CC=CC(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020256313	0	48	-1.0	-43.84	380.61	7.24	-36.60
CC1=CC=CC(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020256313	1	48	-1.0	-43.83	380.67	7.27	-36.56
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020256314	0	46	-1.0	-50.74	385.30	7.00	-43.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020256314	1	46	-1.0	-50.77	385.36	7.03	-43.74
COC1=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C(SC)C=C1OC	REAL300020256315	0	48	-1.0	-48.62	399.22	6.52	-42.10
COC1=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C(SC)C=C1OC	REAL300020256315	1	48	-1.0	-48.60	399.27	6.55	-42.05
CN(CC1=CC2=C(C=C1OC(F)F)OCO2)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256316	0	43	-1.0	-45.93	373.81	4.48	-41.45
CN(CC1=CC2=C(C=C1OC(F)F)OCO2)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256316	1	43	-1.0	-45.91	373.87	4.51	-41.40
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020256317	0	46	-1.0	-46.40	354.25	5.73	-40.67
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020256317	1	46	-1.0	-46.42	354.31	5.75	-40.67
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020256318	0	43	-1.0	-48.78	333.33	4.97	-43.81
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020256318	1	43	-1.0	-48.80	333.39	4.99	-43.81
CC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1(C)C	REAL300020256319	0	50	-1.0	-46.73	391.90	7.58	-39.15
CC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1(C)C	REAL300020256319	1	50	-1.0	-46.71	391.95	7.57	-39.14
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020256320	0	48	-1.0	-41.53	375.14	7.54	-33.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020256320	1	48	-1.0	-41.56	375.20	7.55	-34.01
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020256321	0	45	-1.0	-45.96	358.90	7.29	-38.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020256321	1	45	-1.0	-45.98	358.95	7.32	-38.66
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020256322	0	39	-1.0	-53.48	335.70	2.05	-51.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020256322	1	39	-1.0	-53.54	335.75	2.06	-51.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020256323	0	36	-1.0	-59.69	307.47	1.18	-58.51
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020256323	1	36	-1.0	-59.68	307.52	1.21	-58.47
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020256324	0	43	-1.0	-58.29	363.59	4.20	-54.09
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020256324	1	43	-1.0	-58.28	363.64	4.18	-54.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020256325	0	40	-1.0	-45.61	326.03	6.32	-39.29
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020256325	1	40	-1.0	-45.65	326.08	6.33	-39.32
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020256326	0	44	-1.0	-47.88	356.95	8.39	-39.49
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020256326	1	44	-1.0	-47.85	356.98	8.38	-39.47
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020256327	0	41	-1.0	-41.45	325.56	5.01	-36.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020256327	1	41	-1.0	-41.46	325.62	5.02	-36.44
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020256328	0	45	-1.0	-42.96	361.92	7.06	-35.90
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020256328	1	45	-1.0	-42.92	361.96	7.05	-35.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020256329	0	43	-1.0	-42.93	357.24	6.11	-36.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020256329	1	43	-1.0	-42.94	357.19	6.10	-36.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020256330	0	40	-1.0	-45.24	335.63	5.34	-39.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020256330	1	40	-1.0	-45.18	335.58	5.31	-39.87
CCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020256331	0	43	-1.0	-40.44	339.48	5.11	-35.33
CCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020256331	1	43	-1.0	-40.44	339.53	5.12	-35.32
CCC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020256332	0	47	-1.0	-43.26	365.77	7.35	-35.91
CCC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020256332	1	47	-1.0	-43.20	365.80	7.35	-35.85
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020256333	0	42	-1.0	-50.15	352.43	2.83	-47.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020256333	1	42	-1.0	-50.13	352.49	2.84	-47.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020256334	0	39	-1.0	-53.63	330.93	2.03	-51.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020256334	1	39	-1.0	-53.63	330.99	2.06	-51.57
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020256335	0	46	-1.0	-54.31	378.54	4.98	-49.33
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020256335	1	46	-1.0	-54.29	378.61	4.96	-49.33
CC(C)OCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020256336	0	47	-1.0	-41.03	382.44	4.59	-36.44
CC(C)OCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020256336	1	47	-1.0	-41.01	382.50	4.61	-36.40
CC(C)OCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020256337	0	44	-1.0	-43.08	350.41	3.48	-39.60
CC(C)OCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020256337	1	44	-1.0	-43.11	350.46	3.50	-39.61
CC(C)OCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020256338	0	51	-1.0	-43.78	411.03	6.88	-36.90
CC(C)OCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020256338	1	51	-1.0	-43.75	411.07	6.87	-36.88
CCC1=NSC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256339	0	46	-1.0	-42.98	384.18	5.33	-37.65
CCC1=NSC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256339	1	46	-1.0	-43.01	384.24	5.35	-37.66
CCC1=NSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256340	0	43	-1.0	-44.70	362.60	4.55	-40.15
CCC1=NSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256340	1	43	-1.0	-44.69	362.65	4.57	-40.12
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256341	0	41	-1.0	-53.39	354.88	2.37	-51.02
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256341	1	41	-1.0	-53.36	354.94	2.38	-50.98
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256342	0	38	-1.0	-54.13	334.40	1.64	-52.49
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256342	1	38	-1.0	-54.15	334.46	1.66	-52.49
CCS(=O)(=O)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256343	0	45	-1.0	-55.22	387.06	4.49	-50.73
CCS(=O)(=O)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256343	1	45	-1.0	-55.20	387.10	4.48	-50.72
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020256344	0	41	-1.0	-43.87	325.42	4.80	-39.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020256344	1	41	-1.0	-43.88	325.47	4.82	-39.06
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020256345	0	45	-1.0	-45.69	358.36	6.77	-38.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020256345	1	45	-1.0	-45.66	358.40	6.76	-38.90
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C)C1=NC=CS1	REAL300020256346	0	41	-1.0	-41.66	357.79	5.72	-35.94
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C)C1=NC=CS1	REAL300020256346	1	41	-1.0	-41.63	357.84	5.74	-35.89
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C)C1=NC=CS1	REAL300020256347	0	38	-1.0	-44.82	335.17	4.92	-39.90
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C)C1=NC=CS1	REAL300020256347	1	38	-1.0	-44.81	335.22	4.95	-39.86
CC(CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1=NC=CS1	REAL300020256348	0	45	-1.0	-47.46	381.63	8.01	-39.45
CC(CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1=NC=CS1	REAL300020256348	1	45	-1.0	-47.44	381.69	8.00	-39.44
COC1=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C(SC)C=C1OC	REAL300020256349	0	48	-1.0	-48.62	399.22	6.52	-42.10
COC1=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C(SC)C=C1OC	REAL300020256349	1	48	-1.0	-48.60	399.27	6.55	-42.05
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020256350	0	39	-1.0	-47.65	325.17	3.83	-43.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020256350	1	39	-1.0	-47.68	325.23	3.85	-43.83
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020256351	0	36	-1.0	-47.24	304.72	3.06	-44.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020256351	1	36	-1.0	-47.21	304.78	3.09	-44.12
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020256352	0	43	-1.0	-49.22	347.84	5.44	-43.78
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020256352	1	43	-1.0	-49.20	347.87	5.43	-43.77
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020256353	0	39	-1.0	-41.23	328.83	6.29	-34.94
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020256353	1	39	-1.0	-41.23	328.88	6.31	-34.92
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020256354	0	36	-1.0	-43.63	303.73	5.38	-38.25
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020256354	1	36	-1.0	-43.62	303.79	5.40	-38.22
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020256355	0	43	-1.0	-43.62	359.86	8.38	-35.24
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020256355	1	43	-1.0	-43.60	359.91	8.37	-35.23
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256356	0	43	-1.0	-41.92	354.56	7.33	-34.59
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256356	1	43	-1.0	-41.95	354.61	7.35	-34.60
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256357	0	40	-1.0	-43.97	334.64	6.34	-37.63
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256357	1	40	-1.0	-43.97	334.59	6.31	-37.66
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256358	0	47	-1.0	-44.10	386.90	9.19	-34.91
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256358	1	47	-1.0	-44.01	386.93	9.18	-34.83
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NCC2=CC=CC=C2)CC1	REAL300020256359	0	52	-1.0	-48.96	420.15	4.59	-44.37
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NCC2=CC=CC=C2)CC1	REAL300020256359	1	52	-1.0	-49.00	420.21	4.61	-44.39
COCCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256360	0	50	-1.0	-46.31	399.79	3.59	-42.72
COCCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256360	1	50	-1.0	-46.34	399.85	3.61	-42.73
COCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256361	0	47	-1.0	-46.31	385.44	2.79	-43.52
COCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256361	1	47	-1.0	-46.30	385.50	2.81	-43.49
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020256362	0	50	-1.0	-42.60	396.23	4.45	-38.15
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020256362	1	50	-1.0	-42.62	396.29	4.46	-38.16
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020256363	0	47	-1.0	-44.82	375.85	3.70	-41.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020256363	1	47	-1.0	-44.82	375.91	3.72	-41.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=C(F)C=C2)CC1	REAL300020256364	0	50	-1.0	-46.60	415.01	6.99	-39.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=C(F)C=C2)CC1	REAL300020256364	1	50	-1.0	-46.61	415.07	7.01	-39.60
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=C(F)C=C2)CC1	REAL300020256365	0	47	-1.0	-48.19	388.50	6.28	-41.91
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=C(F)C=C2)CC1	REAL300020256365	1	47	-1.0	-48.23	388.56	6.30	-41.93
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CCOC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020256380	0	44	-1.0	-44.31	364.66	3.17	-41.14
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CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020256391	1	49	0.0	-65.74	367.64	7.84	-57.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020256392	0	46	0.0	-62.53	346.15	7.04	-55.49
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020256392	1	46	0.0	-62.57	346.20	7.07	-55.50
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020256393	0	53	0.0	-72.19	399.64	9.95	-62.24
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CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256399	0	46	-1.0	-42.98	360.32	8.37	-34.61
CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256399	1	46	-1.0	-42.97	360.35	8.36	-34.61
CN(CC1=CC=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256400	0	42	-1.0	-44.52	349.55	7.76	-36.76
CN(CC1=CC=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256400	1	42	-1.0	-44.46	349.59	7.76	-36.70
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCC1	REAL300020256401	0	43	-1.0	-42.30	335.74	7.69	-34.61
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCC1	REAL300020256401	1	43	-1.0	-42.29	335.80	7.67	-34.62
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256402	0	42	-1.0	-40.72	338.67	8.07	-32.65
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256402	1	42	-1.0	-40.72	338.73	8.09	-32.63
CC(C1=CC=CC=C1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256403	0	46	-1.0	-42.96	369.52	10.15	-32.81
CC(C1=CC=CC=C1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256403	1	46	-1.0	-42.93	369.57	10.14	-32.79
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1=CC=CC=C1	REAL300020256404	0	40	-1.0	-44.24	338.53	9.44	-34.80
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1=CC=CC=C1	REAL300020256404	1	40	-1.0	-44.22	338.59	9.42	-34.80
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOCC1	REAL300020256405	0	41	-1.0	-43.31	324.66	5.80	-37.51
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOCC1	REAL300020256405	1	41	-1.0	-43.27	324.71	5.79	-37.48
COC1=CC=C(NC2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020256406	0	37	-1.0	-44.76	314.55	6.80	-37.96
COC1=CC=C(NC2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020256406	1	37	-1.0	-44.78	314.49	6.78	-38.00
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COC1=CC=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020256407	1	41	-1.0	-46.30	345.76	8.86	-37.44
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCSC1	REAL300020256408	0	41	-1.0	-43.83	334.67	7.58	-36.25
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCSC1	REAL300020256408	1	41	-1.0	-43.78	334.80	7.58	-36.20
CN(CC1COC2=CC=CC=C2O1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256409	0	45	-1.0	-42.28	373.79	6.22	-36.06
CN(CC1COC2=CC=CC=C2O1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256409	1	45	-1.0	-42.29	373.85	6.23	-36.06
CN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256410	0	42	-1.0	-44.79	352.30	5.42	-39.37
CN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256410	1	42	-1.0	-44.78	352.36	5.45	-39.33
CCNC(=O)N[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1OC	REAL300020256411	0	49	-1.0	-49.57	403.00	1.43	-48.14
CCNC(=O)N[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1OC	REAL300020256411	1	49	-1.0	-49.60	403.06	1.44	-48.16
CCNC(=O)N[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1OC	REAL300020256412	0	46	-1.0	-53.20	374.98	0.71	-52.49
CCNC(=O)N[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1OC	REAL300020256412	1	46	-1.0	-53.21	375.04	0.73	-52.48
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020256413	0	60	0.0	-60.70	404.24	8.96	-51.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020256413	1	60	0.0	-60.72	404.30	8.98	-51.74
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020256414	0	57	0.0	-60.12	383.83	8.20	-51.92
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020256414	1	57	0.0	-60.21	383.89	8.23	-51.98
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC(F)=CC(F)=C2)CC1	REAL300020256415	0	49	-1.0	-43.42	398.07	9.85	-33.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC(F)=CC(F)=C2)CC1	REAL300020256415	1	49	-1.0	-43.41	398.13	9.86	-33.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC(F)=CC(F)=C2)CC1	REAL300020256416	0	46	-1.0	-45.49	377.67	9.09	-36.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC(F)=CC(F)=C2)CC1	REAL300020256416	1	46	-1.0	-45.52	377.73	9.11	-36.41
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256417	0	48	0.0	-64.95	358.96	7.09	-57.86
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256417	1	48	0.0	-64.91	359.02	7.11	-57.80
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256418	0	45	0.0	-61.77	337.46	6.30	-55.47
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256418	1	45	0.0	-61.76	337.52	6.32	-55.44
CCC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256419	0	52	0.0	-67.67	393.04	8.96	-58.71
CCC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256419	1	52	0.0	-67.68	393.09	8.95	-58.73
COC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C12CCC2	REAL300020256420	0	47	-1.0	-43.01	367.66	6.25	-36.76
COC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C12CCC2	REAL300020256420	1	47	-1.0	-42.99	367.72	6.27	-36.72
COC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C12CCC2	REAL300020256421	0	44	-1.0	-41.90	351.56	5.32	-36.58
COC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C12CCC2	REAL300020256421	1	44	-1.0	-41.90	351.62	5.34	-36.56
COC1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C12CCC2	REAL300020256422	0	51	-1.0	-45.06	399.45	8.46	-36.60
COC1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C12CCC2	REAL300020256422	1	51	-1.0	-45.00	399.48	8.45	-36.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020256423	0	56	0.0	-72.80	417.03	7.53	-65.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020256423	1	55	-1.0	-41.79	420.54	5.20	-36.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020256423	1	55	-1.0	-41.77	420.60	5.21	-36.56
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020256424	0	53	0.0	-75.10	396.61	6.78	-68.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020256424	1	52	-1.0	-44.53	399.04	4.41	-40.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020256424	1	52	-1.0	-44.54	399.10	4.44	-40.10
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020256425	0	55	0.0	-69.61	414.27	9.83	-59.78
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020256425	1	55	0.0	-67.77	419.13	10.20	-57.57
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020256425	1	55	0.0	-69.57	414.21	9.81	-59.76
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020256425	1	55	0.0	-67.77	419.08	10.19	-57.58
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020256426	0	52	0.0	-67.26	401.08	9.33	-57.93
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020256426	1	52	0.0	-67.36	398.06	9.14	-58.22
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020256426	1	52	0.0	-67.31	401.13	9.35	-57.96
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020256426	1	52	0.0	-67.34	398.12	9.16	-58.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020256427	0	46	-1.0	-52.04	362.61	3.34	-48.70
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020256427	1	46	-1.0	-52.09	362.67	3.35	-48.74
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020256428	0	43	-1.0	-55.27	342.45	3.30	-51.97
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020256428	1	43	-1.0	-55.28	342.51	3.32	-51.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020256429	0	46	-1.0	-40.19	358.08	8.87	-31.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020256429	1	46	-1.0	-40.16	358.14	8.89	-31.27
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020256430	0	43	-1.0	-43.03	337.89	8.49	-34.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020256430	1	43	-1.0	-43.03	337.83	8.46	-34.57
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020256431	0	50	-1.0	-43.31	387.09	11.58	-31.73
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020256431	1	50	-1.0	-43.15	386.46	11.66	-31.49
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020256432	0	45	-1.0	-40.28	333.72	7.76	-32.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020256432	1	45	-1.0	-40.31	333.77	7.78	-32.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020256433	0	49	-1.0	-42.67	358.28	9.25	-33.42
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020256433	1	49	-1.0	-42.63	358.31	9.24	-33.39
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020256434	0	44	-1.0	-44.10	352.18	5.90	-38.20
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020256434	1	44	-1.0	-44.14	352.24	5.91	-38.23
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020256435	0	41	-1.0	-48.13	329.39	4.95	-43.18
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020256435	1	41	-1.0	-48.15	329.33	4.92	-43.23
COC1=CC=CC2=C1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)CC2	REAL300020256436	0	48	-1.0	-47.33	381.90	7.80	-39.53
COC1=CC=CC2=C1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)CC2	REAL300020256436	1	48	-1.0	-47.31	381.94	7.78	-39.53
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020256437	0	47	-1.0	-41.68	373.08	7.79	-33.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020256437	1	47	-1.0	-41.71	373.14	7.80	-33.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020256438	0	44	-1.0	-43.57	356.79	6.63	-36.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020256438	1	44	-1.0	-43.56	356.85	6.65	-36.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020256439	0	41	-1.0	-41.96	324.40	5.16	-36.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020256439	1	41	-1.0	-41.97	324.46	5.17	-36.80
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020256440	0	45	-1.0	-44.24	355.63	7.25	-36.99
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020256440	1	45	-1.0	-44.26	355.69	7.23	-37.03
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+](C2CCC2)C1	REAL300020256441	0	52	0.0	-66.36	381.59	8.18	-58.18
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+](C2CCC2)C1	REAL300020256441	1	52	0.0	-65.35	384.33	8.80	-56.55
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+](C2CCC2)C1	REAL300020256441	1	52	0.0	-66.37	381.65	8.20	-58.17
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+](C2CCC2)C1	REAL300020256441	1	52	0.0	-65.26	384.39	8.81	-56.45
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+](C2CCC2)C1	REAL300020256442	0	49	0.0	-65.97	363.60	8.01	-57.96
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+](C2CCC2)C1	REAL300020256442	1	49	0.0	-60.12	369.21	7.81	-52.31
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+](C2CCC2)C1	REAL300020256442	1	49	0.0	-65.99	363.66	8.03	-57.96
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+](C2CCC2)C1	REAL300020256442	1	49	0.0	-60.14	369.26	7.84	-52.30
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC[N@@H+](C2CCC2)C1	REAL300020256443	0	56	0.0	-67.45	420.75	10.67	-56.78
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC[N@H+](C2CCC2)C1	REAL300020256443	1	56	0.0	-68.97	421.32	10.78	-58.19
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[N@@H+](C2CCC2)C1	REAL300020256443	1	56	0.0	-67.41	420.80	10.68	-56.73
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[N@H+](C2CCC2)C1	REAL300020256443	1	56	0.0	-68.91	421.36	10.78	-58.13
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020256444	0	47	-1.0	-40.29	365.54	6.11	-34.18
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020256444	1	47	-1.0	-40.30	365.60	6.13	-34.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020256445	0	44	-1.0	-41.72	342.06	5.43	-36.29
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020256445	1	44	-1.0	-41.73	342.12	5.46	-36.27
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020256446	0	51	-1.0	-42.50	397.00	8.31	-34.19
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020256446	1	51	-1.0	-42.44	397.04	8.30	-34.14
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC2=CC=CC=C2O1	REAL300020256447	0	44	-1.0	-40.97	362.11	6.85	-34.12
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC2=CC=CC=C2O1	REAL300020256447	1	44	-1.0	-40.94	362.16	6.86	-34.08
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC2=CC=CC=C2O1	REAL300020256448	0	41	-1.0	-43.54	340.67	6.09	-37.45
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC2=CC=CC=C2O1	REAL300020256448	1	41	-1.0	-43.55	340.61	6.06	-37.49
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC2=CC=CC=C2O1	REAL300020256449	0	48	-1.0	-43.52	388.06	9.14	-34.38
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC2=CC=CC=C2O1	REAL300020256449	1	48	-1.0	-43.54	388.10	9.11	-34.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020256450	0	48	-1.0	-41.50	380.61	6.48	-35.02
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020256450	1	49	0.0	-69.99	382.91	8.89	-61.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020256450	1	48	-1.0	-41.52	380.66	6.49	-35.03
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020256451	0	45	-1.0	-44.92	360.04	5.87	-39.05
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020256451	1	46	0.0	-67.38	361.47	8.11	-59.27
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020256451	1	45	-1.0	-44.96	360.10	5.90	-39.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020256452	0	44	-1.0	-41.97	334.14	6.32	-35.65
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020256452	1	44	-1.0	-41.95	334.20	6.33	-35.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020256453	0	41	-1.0	-42.99	316.34	5.32	-37.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020256453	1	41	-1.0	-43.00	316.40	5.34	-37.66
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020256454	0	48	-1.0	-44.24	366.37	8.43	-35.81
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020256454	1	48	-1.0	-44.26	366.44	8.41	-35.85
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256455	0	48	0.0	-63.31	351.98	7.35	-55.96
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256455	1	48	0.0	-61.27	349.73	6.81	-54.46
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256455	1	48	0.0	-63.31	352.04	7.37	-55.94
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256455	1	48	0.0	-61.28	349.79	6.83	-54.45
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256456	0	45	0.0	-60.23	337.61	6.17	-54.06
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256456	1	45	0.0	-59.71	333.27	5.86	-53.85
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256456	1	45	0.0	-60.24	337.67	6.20	-54.04
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256456	1	45	0.0	-59.74	333.33	5.89	-53.85
CC(C)[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256457	0	52	0.0	-67.07	391.07	9.10	-57.97
CC(C)[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256457	1	52	0.0	-67.60	384.87	8.81	-58.79
CC(C)[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256457	1	52	0.0	-67.06	391.12	9.08	-57.98
CC(C)[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256457	1	52	0.0	-67.62	384.90	8.81	-58.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020256458	0	51	0.0	-63.15	373.06	7.62	-55.53
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020256458	1	51	0.0	-59.57	368.24	6.90	-52.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020256458	1	51	0.0	-63.15	373.12	7.64	-55.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020256458	1	51	0.0	-59.62	368.29	6.92	-52.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020256459	0	48	0.0	-64.08	350.10	6.84	-57.24
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020256459	1	48	0.0	-57.09	347.37	6.05	-51.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020256459	1	48	0.0	-64.07	350.16	6.87	-57.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020256459	1	48	0.0	-57.11	347.43	6.08	-51.03
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020256460	0	55	0.0	-69.25	403.50	9.74	-59.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020256460	1	55	0.0	-64.39	400.79	8.93	-55.46
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020256460	1	55	0.0	-69.23	403.51	9.73	-59.50
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020256460	1	55	0.0	-64.35	400.84	8.92	-55.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020256461	0	53	0.0	-66.26	391.67	6.44	-59.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020256461	1	53	0.0	-68.54	384.11	5.85	-62.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020256461	1	53	0.0	-66.27	391.73	6.45	-59.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020256461	1	53	0.0	-68.52	384.17	5.87	-62.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020256462	0	50	0.0	-65.03	364.07	6.01	-59.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020256462	1	50	0.0	-67.91	370.17	5.50	-62.41
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020256462	1	50	0.0	-65.05	364.13	6.03	-59.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020256462	1	50	0.0	-67.92	370.22	5.52	-62.40
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020256463	0	52	-1.0	-43.08	385.44	8.47	-34.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020256463	1	52	-1.0	-43.06	385.50	8.49	-34.57
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020256464	0	49	-1.0	-42.56	369.10	7.20	-35.36
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020256464	1	49	-1.0	-42.55	369.17	7.22	-35.33
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020256465	0	56	-1.0	-44.12	412.07	9.82	-34.30
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020256465	1	56	-1.0	-44.07	412.12	9.81	-34.26
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCCO1	REAL300020256466	0	44	-1.0	-42.72	346.51	6.83	-35.89
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCCO1	REAL300020256466	1	44	-1.0	-42.65	346.64	6.82	-35.83
CCC1C(=O)NCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256467	0	40	-1.0	-44.46	322.57	2.88	-41.58
CCC1C(=O)NCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256467	1	40	-1.0	-44.48	322.62	2.89	-41.59
CCC1C(=O)NCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256468	0	44	-1.0	-46.20	358.05	4.39	-41.81
CCC1C(=O)NCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256468	1	44	-1.0	-46.16	358.10	4.37	-41.79
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256469	0	40	-1.0	-51.34	319.72	2.12	-49.22
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256469	1	40	-1.0	-51.37	319.77	2.14	-49.23
CNC(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256470	0	44	-1.0	-53.33	353.36	4.27	-49.06
CNC(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256470	1	44	-1.0	-53.33	353.41	4.26	-49.07
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020256471	0	50	-1.0	-42.30	391.98	9.99	-32.31
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020256471	1	50	-1.0	-42.29	392.04	10.01	-32.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020256472	0	47	-1.0	-44.01	356.81	8.62	-35.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020256472	1	47	-1.0	-43.95	356.87	8.64	-35.31
COC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256473	0	41	-1.0	-44.21	337.11	5.08	-39.13
COC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256473	1	41	-1.0	-44.23	337.14	5.07	-39.16
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020256474	0	43	-1.0	-42.64	340.97	7.11	-35.53
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020256474	1	43	-1.0	-42.65	341.01	7.10	-35.55
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256475	0	46	-1.0	-43.44	359.30	8.12	-35.32
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256475	1	46	-1.0	-43.41	359.34	8.11	-35.30
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020256476	0	41	-1.0	-42.93	337.50	5.68	-37.25
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020256476	1	41	-1.0	-42.92	337.53	5.67	-37.25
CC(C)CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256477	0	48	-1.0	-42.12	360.00	6.54	-35.58
CC(C)CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256477	1	48	-1.0	-42.14	360.06	6.55	-35.59
CC(C)CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256478	0	45	-1.0	-43.24	335.05	7.27	-35.97
CC(C)CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256478	1	45	-1.0	-43.23	335.10	7.30	-35.93
CC(C)CC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256479	0	52	-1.0	-44.32	391.05	8.63	-35.69
CC(C)CC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256479	1	52	-1.0	-44.25	391.09	8.63	-35.62
CCCC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256480	0	48	-1.0	-42.21	363.19	7.20	-35.01
CCCC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256480	1	48	-1.0	-42.22	363.25	7.22	-35.00
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256481	0	45	-1.0	-43.67	342.43	6.52	-37.15
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256481	1	45	-1.0	-43.64	342.48	6.54	-37.10
CCCC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256482	0	52	-1.0	-43.77	395.54	9.41	-34.36
CCCC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256482	1	52	-1.0	-43.77	395.58	9.40	-34.37
COC1=CC=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020256483	0	37	-1.0	-47.07	314.09	6.73	-40.34
COC1=CC=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020256483	1	37	-1.0	-47.05	314.03	6.72	-40.33
COC1=CC=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020256484	0	41	-1.0	-49.35	345.78	8.87	-40.48
COC1=CC=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020256484	1	41	-1.0	-49.36	345.73	8.88	-40.48
CN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=N1	REAL300020256485	0	37	-1.0	-47.45	318.53	8.42	-39.03
CN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=N1	REAL300020256485	1	37	-1.0	-47.43	318.47	8.43	-39.00
CN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=N1	REAL300020256486	0	37	-1.0	-50.51	319.04	7.44	-43.07
CN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=N1	REAL300020256486	1	37	-1.0	-50.59	319.00	7.45	-43.14
CC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256487	0	46	-1.0	-43.76	355.48	7.96	-35.80
CC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256487	1	46	-1.0	-43.77	355.51	7.96	-35.81
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1CNC(=O)OC(C)(C)C	REAL300020256488	0	56	-1.0	-47.38	427.51	5.37	-42.01
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1CNC(=O)OC(C)(C)C	REAL300020256488	1	56	-1.0	-47.43	427.57	5.39	-42.04
COC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020256489	0	46	-1.0	-46.87	370.99	6.85	-40.02
COC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020256489	1	46	-1.0	-46.91	371.05	6.87	-40.04
COC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020256490	0	43	-1.0	-47.97	351.54	6.25	-41.72
COC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020256490	1	43	-1.0	-47.98	351.60	6.27	-41.71
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@@H]1C1=CC=CC=C1	REAL300020256491	0	49	-1.0	-47.96	395.80	8.42	-39.54
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1C1=CC=CC=C1	REAL300020256491	1	49	-1.0	-47.95	395.86	8.44	-39.51
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@@H]1C1=CC=CC=C1	REAL300020256492	0	46	-1.0	-49.07	375.22	7.65	-41.42
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1C1=CC=CC=C1	REAL300020256492	1	46	-1.0	-49.10	375.28	7.68	-41.42
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2[N+](=O)[O-])CC1	REAL300020256493	0	46	-1.0	-49.15	381.84	7.49	-41.66
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2[N+](=O)[O-])CC1	REAL300020256493	1	46	-1.0	-49.16	381.78	7.47	-41.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2[N+](=O)[O-])CC1	REAL300020256494	0	43	-1.0	-51.26	360.24	6.71	-44.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2[N+](=O)[O-])CC1	REAL300020256494	1	43	-1.0	-51.25	360.18	6.69	-44.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020256495	0	53	-1.0	-39.52	404.37	7.95	-31.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020256495	1	53	-1.0	-39.50	404.43	7.96	-31.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020256496	0	50	-1.0	-42.24	382.87	7.15	-35.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020256496	1	50	-1.0	-42.28	382.93	7.18	-35.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020256497	0	51	-1.0	-44.63	399.47	7.81	-36.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020256497	1	51	-1.0	-44.64	399.52	7.83	-36.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020256498	0	48	-1.0	-44.99	380.19	6.84	-38.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020256498	1	48	-1.0	-44.98	380.25	6.86	-38.12
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300020256499	0	51	-1.0	-42.92	391.09	8.35	-34.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300020256499	1	51	-1.0	-42.94	391.15	8.36	-34.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300020256500	0	48	-1.0	-45.22	369.52	7.57	-37.65
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300020256500	1	48	-1.0	-45.20	369.58	7.60	-37.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020256501	0	42	-1.0	-45.10	334.71	1.11	-43.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020256501	1	42	-1.0	-45.16	334.76	1.12	-44.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020256502	0	39	-1.0	-47.35	316.59	0.85	-46.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020256502	1	39	-1.0	-47.33	316.65	0.88	-46.45
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020256503	0	46	-1.0	-46.17	373.29	3.69	-42.48
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020256503	1	46	-1.0	-46.13	373.34	3.68	-42.45
COC(=O)C1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)S1	REAL300020256504	0	45	-1.0	-45.90	381.80	5.49	-40.41
COC(=O)C1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)S1	REAL300020256504	1	45	-1.0	-45.90	381.85	5.51	-40.39
COCCN(CC1=C(C)N(C)N=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256505	0	52	-1.0	-45.99	408.78	4.56	-41.43
COCCN(CC1=C(C)N(C)N=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256505	1	52	-1.0	-46.01	408.84	4.57	-41.44
COCCN(CC1=C(C)N(C)N=C1C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256506	0	49	-1.0	-47.41	389.07	3.90	-43.51
COCCN(CC1=C(C)N(C)N=C1C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256506	1	49	-1.0	-47.36	389.12	3.93	-43.43
CON1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256507	0	45	-1.0	-40.46	346.79	3.52	-36.94
CON1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256507	1	45	-1.0	-40.49	346.84	3.54	-36.95
CON1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256508	0	42	-1.0	-44.13	320.27	2.85	-41.28
CON1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256508	1	42	-1.0	-44.16	320.33	2.87	-41.29
CON1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256509	0	49	-1.0	-44.23	372.92	5.73	-38.50
CON1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256509	1	49	-1.0	-44.23	372.90	5.72	-38.51
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256510	0	48	-1.0	-43.73	383.89	5.92	-37.81
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256510	1	48	-1.0	-43.71	383.84	5.91	-37.80
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256511	0	45	-1.0	-46.11	371.28	5.87	-40.24
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256511	1	45	-1.0	-46.10	371.23	5.84	-40.26
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256512	0	52	-1.0	-45.20	424.21	8.74	-36.46
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256512	1	52	-1.0	-45.25	424.18	8.75	-36.50
CCC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020256513	0	42	-1.0	-42.17	348.92	8.80	-33.37
CCC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020256513	1	42	-1.0	-42.18	348.98	8.82	-33.36
CCC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020256514	0	46	-1.0	-43.70	381.43	10.87	-32.83
CCC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020256514	1	46	-1.0	-43.68	381.48	10.86	-32.82
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(CNC(=O)OC(C)(C)C)C1	REAL300020256515	0	54	-1.0	-46.07	425.85	3.49	-42.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(CNC(=O)OC(C)(C)C)C1	REAL300020256515	1	54	-1.0	-46.04	425.91	3.51	-42.53
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020256516	0	43	-1.0	-42.03	324.80	6.71	-35.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020256516	1	43	-1.0	-42.07	324.86	6.72	-35.35
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020256517	0	47	-1.0	-42.92	360.97	8.84	-34.08
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020256517	1	47	-1.0	-42.88	361.04	8.83	-34.05
COC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256518	0	44	-1.0	-44.60	349.05	5.97	-38.63
COC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256518	1	44	-1.0	-44.59	349.09	5.95	-38.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020256519	0	37	-1.0	-42.32	314.00	6.57	-35.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020256519	1	37	-1.0	-42.36	314.05	6.59	-35.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020256520	0	34	-1.0	-45.18	292.56	5.81	-39.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020256520	1	34	-1.0	-45.23	292.50	5.79	-39.44
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020256521	0	41	-1.0	-43.63	345.96	8.68	-34.95
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020256521	1	41	-1.0	-43.61	346.02	8.67	-34.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020256522	0	37	-1.0	-43.37	307.84	6.88	-36.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020256522	1	37	-1.0	-43.37	307.90	6.90	-36.47
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020256523	0	41	-1.0	-45.41	337.23	8.24	-37.17
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020256523	1	41	-1.0	-45.43	337.27	8.23	-37.20
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CC(C)(C)C1	REAL300020256524	0	46	-1.0	-43.17	365.58	8.68	-34.49
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CC(C)(C)C1	REAL300020256524	1	46	-1.0	-43.22	365.62	8.67	-34.55
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020256525	0	40	-1.0	-42.47	338.51	6.83	-35.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020256525	1	40	-1.0	-42.49	338.57	6.84	-35.65
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020256526	0	37	-1.0	-45.94	325.33	7.04	-38.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020256526	1	37	-1.0	-45.91	325.27	7.01	-38.90
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020256527	0	44	-1.0	-44.02	377.51	9.85	-34.17
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020256527	1	44	-1.0	-44.05	377.55	9.85	-34.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)C2(CCOCC2)C1	REAL300020256528	0	47	-1.0	-41.54	356.17	5.67	-35.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)C2(CCOCC2)C1	REAL300020256528	1	47	-1.0	-41.54	356.23	5.69	-35.85
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020256529	0	48	-1.0	-42.87	377.26	4.97	-37.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020256529	1	48	-1.0	-42.89	377.32	4.99	-37.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020256530	0	45	-1.0	-46.28	356.85	4.21	-42.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020256530	1	45	-1.0	-46.30	356.90	4.24	-42.06
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020256531	0	52	-1.0	-44.35	406.84	7.00	-37.35
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020256531	1	52	-1.0	-44.33	406.91	6.98	-37.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020256532	0	41	-1.0	-41.94	326.74	4.74	-37.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020256532	1	41	-1.0	-41.93	326.80	4.76	-37.17
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020256533	0	45	-1.0	-43.88	358.35	6.83	-37.05
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020256533	1	45	-1.0	-43.85	358.40	6.82	-37.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020256534	0	41	-1.0	-50.15	343.30	0.91	-49.24
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020256534	1	41	-1.0	-50.14	343.36	0.92	-49.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020256535	0	38	-1.0	-51.21	321.80	0.12	-51.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020256535	1	38	-1.0	-51.28	321.86	0.15	-51.13
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020256536	0	45	-1.0	-52.63	374.40	2.99	-49.64
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020256536	1	45	-1.0	-52.60	374.20	2.98	-49.62
CC1C(CO)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256537	0	43	-1.0	-40.56	331.75	2.93	-37.63
CC1C(CO)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256537	1	43	-1.0	-40.53	331.80	2.95	-37.58
CC1C(CO)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256538	0	47	-1.0	-42.55	362.62	5.03	-37.52
CC1C(CO)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256538	1	47	-1.0	-42.53	362.69	5.03	-37.50
CC(=O)C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020256539	0	42	-1.0	-47.18	347.77	6.91	-40.27
CC(=O)C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020256539	1	42	-1.0	-47.24	347.82	6.93	-40.31
CC(=O)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020256540	0	39	-1.0	-50.53	330.67	6.30	-44.23
CC(=O)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020256540	1	39	-1.0	-50.53	330.62	6.27	-44.26
CC(=O)C1=CC=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2=C1	REAL300020256541	0	46	-1.0	-49.23	380.07	9.02	-40.21
CC(=O)C1=CC=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2=C1	REAL300020256541	1	46	-1.0	-49.22	380.14	9.00	-40.22
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020256542	0	54	-1.0	-40.18	391.96	7.80	-32.38
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020256542	1	54	-1.0	-40.19	392.02	7.81	-32.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020256543	0	51	-1.0	-42.60	371.29	7.18	-35.42
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020256543	1	51	-1.0	-42.60	371.34	7.20	-35.40
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020256544	0	58	-1.0	-41.95	424.34	9.95	-32.00
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020256544	1	58	-1.0	-41.95	424.37	9.95	-32.00
CC(C)OCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256545	0	53	-1.0	-42.53	417.14	6.47	-36.06
CC(C)OCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256545	1	53	-1.0	-42.51	417.20	6.48	-36.03
CC(C)OCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256546	0	50	-1.0	-46.11	396.73	5.71	-40.40
CC(C)OCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256546	1	50	-1.0	-46.14	396.79	5.73	-40.41
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2F)CC1	REAL300020256547	0	49	-1.0	-46.04	403.73	9.78	-36.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2F)CC1	REAL300020256547	1	49	-1.0	-46.03	403.79	9.80	-36.23
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2F)CC1	REAL300020256548	0	46	-1.0	-48.68	382.23	9.00	-39.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2F)CC1	REAL300020256548	1	46	-1.0	-48.74	382.29	9.02	-39.72
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=C(F)C=CC=C2F)CC1	REAL300020256549	0	49	-1.0	-42.43	393.72	9.72	-32.71
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=C(F)C=CC=C2F)CC1	REAL300020256549	1	49	-1.0	-42.38	393.78	9.73	-32.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=C(F)C=CC=C2F)CC1	REAL300020256550	0	46	-1.0	-45.38	373.28	8.95	-36.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=C(F)C=CC=C2F)CC1	REAL300020256550	1	46	-1.0	-45.43	373.33	8.98	-36.45
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020256551	0	51	0.0	-70.98	406.07	7.36	-63.62
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020256551	1	51	0.0	-70.97	406.12	7.38	-63.59
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020256552	0	48	0.0	-66.59	384.77	6.61	-59.98
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020256552	1	48	0.0	-66.58	384.83	6.63	-59.95
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC(C)(C)C1	REAL300020256553	0	45	-1.0	-40.91	347.12	7.32	-33.59
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC(C)(C)C1	REAL300020256553	1	45	-1.0	-40.91	347.18	7.33	-33.58
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CC(C)(C)C1	REAL300020256554	0	49	-1.0	-42.55	374.42	8.96	-33.59
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CC(C)(C)C1	REAL300020256554	1	49	-1.0	-42.47	374.46	8.95	-33.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCN2C(=O)OC(C)(C)C)C1	REAL300020256555	0	54	-1.0	-53.28	406.06	7.42	-45.86
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCN2C(=O)OC(C)(C)C)C1	REAL300020256555	1	54	-1.0	-53.31	406.12	7.44	-45.87
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC(F)=CC=C2F)CC1	REAL300020256556	0	49	-1.0	-42.14	393.52	9.71	-32.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC(F)=CC=C2F)CC1	REAL300020256556	1	49	-1.0	-42.15	393.58	9.72	-32.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC(F)=CC=C2F)CC1	REAL300020256557	0	46	-1.0	-44.27	372.02	8.91	-35.36
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC(F)=CC=C2F)CC1	REAL300020256557	1	46	-1.0	-44.32	372.08	8.94	-35.38
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020256558	0	44	-1.0	-42.00	343.54	7.43	-34.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020256558	1	44	-1.0	-42.02	343.59	7.44	-34.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020256559	0	41	-1.0	-44.51	323.04	6.68	-37.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020256559	1	41	-1.0	-44.51	323.09	6.71	-37.80
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020256560	0	48	-1.0	-44.59	375.83	9.53	-35.06
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020256560	1	48	-1.0	-44.68	375.55	9.52	-35.16
COC1=CC=CC([C@H]2C[C@H](N(C)C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=C1	REAL300020256561	0	50	-1.0	-44.18	397.19	8.39	-35.79
COC1=CC=CC([C@H]2C[C@H](N(C)C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=C1	REAL300020256561	1	50	-1.0	-44.25	397.24	8.40	-35.85
COC1=CC=CC([C@H]2C[C@H](N(C)C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=C1	REAL300020256562	0	47	-1.0	-45.74	381.05	7.36	-38.38
COC1=CC=CC([C@H]2C[C@H](N(C)C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=C1	REAL300020256562	1	47	-1.0	-45.75	381.10	7.39	-38.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020256563	0	44	-1.0	-44.62	353.72	6.92	-37.70
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020256563	1	44	-1.0	-44.61	353.78	6.94	-37.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020256564	0	41	-1.0	-46.66	333.32	6.16	-40.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020256564	1	41	-1.0	-46.67	333.37	6.19	-40.48
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020256565	0	48	-1.0	-47.31	385.67	9.02	-38.29
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020256565	1	48	-1.0	-47.30	385.70	9.02	-38.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCS2(=O)=O)CC1	REAL300020256566	0	48	-1.0	-52.26	387.12	3.60	-48.66
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCS2(=O)=O)CC1	REAL300020256566	1	48	-1.0	-52.25	387.17	3.62	-48.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCS2(=O)=O)CC1	REAL300020256567	0	45	-1.0	-55.15	365.62	2.81	-52.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCS2(=O)=O)CC1	REAL300020256567	1	45	-1.0	-55.16	365.68	2.83	-52.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300020256568	0	47	-1.0	-43.79	381.31	6.96	-36.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300020256568	1	47	-1.0	-43.78	381.37	6.98	-36.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300020256569	0	44	-1.0	-46.02	358.38	6.28	-39.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300020256569	1	44	-1.0	-46.01	358.44	6.31	-39.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020256570	0	50	-1.0	-41.64	387.68	9.47	-32.17
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020256570	1	50	-1.0	-41.61	387.74	9.48	-32.13
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020256571	0	47	-1.0	-44.65	366.19	8.68	-35.97
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020256571	1	47	-1.0	-44.64	366.24	8.71	-35.93
CC(C1CC1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256572	0	43	-1.0	-43.12	342.03	8.36	-34.76
CC(C1CC1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256572	1	43	-1.0	-43.13	342.05	8.36	-34.77
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020256573	0	41	-1.0	-44.42	341.87	6.05	-38.37
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020256573	1	41	-1.0	-44.36	341.91	6.04	-38.32
COCC(COC)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256574	0	52	-1.0	-44.19	401.68	3.88	-40.31
COCC(COC)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256574	1	52	-1.0	-44.25	401.74	3.90	-40.35
COCC(COC)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256574	1	53	0.0	-66.33	402.04	6.10	-60.23
COCC(COC)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256575	0	49	-1.0	-46.40	380.19	3.10	-43.30
COCC(COC)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256575	1	49	-1.0	-46.42	380.25	3.12	-43.30
COCC(COC)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256575	1	50	0.0	-65.62	381.64	5.37	-60.25
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020256576	0	52	0.0	-65.96	400.73	9.53	-56.43
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020256576	1	52	0.0	-67.47	394.97	9.53	-57.94
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCN1CC1=CC=CC=C1	REAL300020256576	1	51	-1.0	-41.06	404.69	7.01	-34.05
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCN1CC1=CC=CC=C1	REAL300020256576	1	51	-1.0	-41.09	404.74	7.03	-34.06
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020256577	0	49	0.0	-64.23	380.93	8.56	-55.67
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020256577	1	49	0.0	-66.08	379.31	8.63	-57.45
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCN1CC1=CC=CC=C1	REAL300020256577	1	48	-1.0	-43.56	371.71	5.88	-37.68
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1CC1=CC=CC=C1	REAL300020256577	1	48	-1.0	-43.53	371.77	5.90	-37.63
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256578	0	46	-1.0	-42.90	370.50	9.53	-33.37
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256578	1	46	-1.0	-42.90	370.56	9.55	-33.35
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256579	0	43	-1.0	-47.09	338.59	6.56	-40.53
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256579	1	43	-1.0	-47.06	338.55	6.53	-40.53
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCN(CC(F)(F)F)CC1	REAL300020256580	0	47	-1.0	-41.41	368.04	4.57	-36.84
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCN(CC(F)(F)F)CC1	REAL300020256580	1	47	-1.0	-41.43	368.10	4.58	-36.85
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCN(CC(F)(F)F)CC1	REAL300020256581	0	44	-1.0	-43.58	348.67	4.49	-39.09
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCN(CC(F)(F)F)CC1	REAL300020256581	1	44	-1.0	-43.58	348.72	4.51	-39.07
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020256582	0	50	-1.0	-47.70	382.99	7.08	-40.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020256582	1	50	-1.0	-47.72	383.05	7.09	-40.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020256583	0	47	-1.0	-59.63	358.20	5.81	-53.82
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020256583	1	47	-1.0	-59.63	358.25	5.84	-53.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020256584	0	43	-1.0	-41.20	340.11	7.29	-33.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020256584	1	43	-1.0	-41.16	340.17	7.31	-33.85
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020256585	0	47	-1.0	-42.28	374.20	9.29	-32.99
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020256585	1	47	-1.0	-42.25	374.23	9.29	-32.96
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1C	REAL300020256586	0	45	-1.0	-41.24	360.49	8.33	-32.91
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1C	REAL300020256586	1	45	-1.0	-41.26	360.55	8.35	-32.91
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1C	REAL300020256587	0	42	-1.0	-44.65	339.98	7.61	-37.04
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1C	REAL300020256587	1	42	-1.0	-44.64	339.92	7.58	-37.06
CC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1C	REAL300020256588	0	49	-1.0	-43.59	392.33	10.46	-33.13
CC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1C	REAL300020256588	1	49	-1.0	-43.61	392.36	10.45	-33.16
CNC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256589	0	45	-1.0	-48.00	361.69	2.51	-45.49
CNC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256589	1	45	-1.0	-48.00	361.74	2.52	-45.48
CNC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256590	0	42	-1.0	-51.65	341.28	1.75	-49.90
CNC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256590	1	42	-1.0	-51.68	341.34	1.78	-49.90
CNC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256591	0	49	-1.0	-50.07	400.42	4.40	-45.67
CNC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256591	1	49	-1.0	-50.11	400.48	4.38	-45.73
CCOC1=CC=CC(CN(CCO)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020256592	0	50	-1.0	-44.09	401.09	5.11	-38.98
CCOC1=CC=CC(CN(CCO)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020256592	1	50	-1.0	-44.11	401.15	5.12	-38.99
CCOC1=CC=CC(CN(CCO)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020256593	0	47	-1.0	-48.44	380.53	4.35	-44.09
CCOC1=CC=CC(CN(CCO)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020256593	1	47	-1.0	-48.42	380.61	4.37	-44.05
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=N1	REAL300020256594	0	41	-1.0	-44.60	339.21	5.91	-38.69
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=N1	REAL300020256594	1	41	-1.0	-44.59	339.26	5.93	-38.66
CC1=CC=CC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=N1	REAL300020256595	0	45	-1.0	-44.06	373.67	8.25	-35.81
CC1=CC=CC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=N1	REAL300020256595	1	45	-1.0	-44.05	373.71	8.24	-35.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1	REAL300020256596	0	56	-1.0	-43.13	423.38	7.52	-35.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1	REAL300020256596	1	56	-1.0	-43.12	423.43	7.54	-35.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1	REAL300020256597	0	53	-1.0	-45.05	401.87	6.73	-38.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1	REAL300020256597	1	53	-1.0	-45.06	401.93	6.75	-38.31
COCCN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256598	0	46	-1.0	-41.99	395.27	7.86	-34.13
COCCN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256598	1	46	-1.0	-42.02	395.33	7.88	-34.14
COCCN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256599	0	43	-1.0	-49.44	374.03	7.10	-42.34
COCCN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256599	1	43	-1.0	-49.47	374.08	7.12	-42.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020256600	0	48	-1.0	-41.18	362.20	7.51	-33.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020256600	1	48	-1.0	-41.19	362.26	7.53	-33.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020256601	0	45	-1.0	-44.25	337.09	6.60	-37.65
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020256601	1	45	-1.0	-44.22	337.15	6.62	-37.60
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020256602	0	52	-1.0	-43.22	393.03	9.60	-33.62
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020256602	1	52	-1.0	-43.19	393.06	9.59	-33.60
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1Cl	REAL300020256603	0	43	-1.0	-43.16	367.60	6.98	-36.18
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1Cl	REAL300020256603	1	43	-1.0	-43.16	367.66	6.99	-36.17
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1Cl	REAL300020256604	0	40	-1.0	-47.00	347.03	6.23	-40.77
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1Cl	REAL300020256604	1	40	-1.0	-47.04	347.09	6.25	-40.79
COC(=O)C1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020256605	0	45	-1.0	-47.40	358.11	6.90	-40.50
COC(=O)C1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020256605	1	45	-1.0	-47.36	358.17	6.92	-40.44
COC(=O)C1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020256606	0	42	-1.0	-45.55	332.05	5.52	-40.03
COC(=O)C1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020256606	1	42	-1.0	-45.55	332.11	5.54	-40.01
COC(=O)C1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256607	0	49	-1.0	-48.69	393.54	8.93	-39.76
COC(=O)C1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256607	1	49	-1.0	-48.66	393.58	8.92	-39.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC(C)(C)C)C1	REAL300020256608	0	57	-1.0	-45.36	432.87	9.01	-36.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC(C)(C)C)C1	REAL300020256608	1	57	-1.0	-45.36	432.93	9.02	-36.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC(C)(C)C)C1	REAL300020256609	0	54	-1.0	-49.13	416.05	8.81	-40.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC(C)(C)C)C1	REAL300020256609	1	54	-1.0	-49.19	416.11	8.83	-40.36
COCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256610	0	46	-1.0	-43.80	378.62	6.68	-37.12
COCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256610	1	46	-1.0	-43.71	378.66	6.67	-37.04
CC1CC(C(=O)OC(C)(C)C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020256611	0	54	-1.0	-41.91	423.96	8.49	-33.42
CC1CC(C(=O)OC(C)(C)C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020256611	1	54	-1.0	-41.91	424.02	8.51	-33.40
CC1CC(C(=O)OC(C)(C)C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020256612	0	51	-1.0	-44.14	402.98	7.94	-36.20
CC1CC(C(=O)OC(C)(C)C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020256612	1	51	-1.0	-44.14	403.04	7.96	-36.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020256615	0	47	-1.0	-40.50	368.48	6.87	-33.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020256615	1	47	-1.0	-40.53	368.54	6.89	-33.64
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020256616	0	44	-1.0	-42.50	353.09	6.04	-36.46
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020256616	1	44	-1.0	-42.49	353.15	6.07	-36.42
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020256617	0	51	-1.0	-43.15	400.44	8.97	-34.18
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020256617	1	51	-1.0	-43.08	400.48	8.96	-34.12
COC1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256618	0	43	-1.0	-41.77	346.83	5.31	-36.46
COC1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256618	1	43	-1.0	-41.76	346.89	5.32	-36.44
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256619	0	40	-1.0	-44.00	325.22	4.52	-39.48
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256619	1	40	-1.0	-43.96	325.27	4.54	-39.42
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCCC1C(C)(C)C	REAL300020256620	0	51	-1.0	-40.41	348.58	8.84	-31.57
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCCC1C(C)(C)C	REAL300020256620	1	51	-1.0	-40.46	348.64	8.86	-31.60
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCCC1C(C)(C)C	REAL300020256621	0	48	-1.0	-41.25	333.78	7.88	-33.37
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCCC1C(C)(C)C	REAL300020256621	1	48	-1.0	-41.24	333.84	7.90	-33.34
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCCC1C(C)(C)C	REAL300020256622	0	55	-1.0	-42.30	388.19	11.15	-31.15
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCCC1C(C)(C)C	REAL300020256622	1	55	-1.0	-42.26	388.33	11.13	-31.13
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C(C)C1C	REAL300020256623	0	46	-1.0	-42.25	363.46	7.41	-34.84
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C(C)C1C	REAL300020256623	1	46	-1.0	-42.25	363.58	7.39	-34.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020256624	0	42	-1.0	-40.43	348.93	7.03	-33.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020256624	1	42	-1.0	-40.47	348.99	7.05	-33.42
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020256625	0	39	-1.0	-42.23	320.31	6.27	-35.96
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020256625	1	39	-1.0	-42.22	320.36	6.29	-35.93
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020256626	0	46	-1.0	-43.27	378.11	9.11	-34.16
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020256626	1	46	-1.0	-43.26	378.19	9.10	-34.16
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(CC)O1	REAL300020256627	0	46	-1.0	-40.85	358.51	6.36	-34.49
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(CC)O1	REAL300020256627	1	46	-1.0	-40.84	358.56	6.38	-34.46
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(CC)O1	REAL300020256628	0	43	-1.0	-42.68	335.91	5.53	-37.15
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(CC)O1	REAL300020256628	1	43	-1.0	-42.71	335.96	5.56	-37.15
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(CC)O1	REAL300020256629	0	50	-1.0	-43.32	389.34	8.45	-34.87
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(CC)O1	REAL300020256629	1	50	-1.0	-43.29	389.40	8.43	-34.86
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256630	0	46	-1.0	-41.50	389.70	5.62	-35.88
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256630	1	46	-1.0	-41.53	389.76	5.64	-35.89
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256631	0	43	-1.0	-43.91	368.24	4.84	-39.07
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256631	1	43	-1.0	-43.88	368.29	4.86	-39.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CNC(=O)OC(C)(C)C)CC1	REAL300020256632	0	54	-1.0	-47.34	424.29	2.36	-44.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CNC(=O)OC(C)(C)C)CC1	REAL300020256632	1	54	-1.0	-47.36	424.34	2.38	-44.98
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020256633	0	43	-1.0	-40.52	352.53	8.19	-32.33
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020256633	1	43	-1.0	-40.56	352.59	8.20	-32.36
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020256634	0	40	-1.0	-43.11	331.13	7.43	-35.68
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020256634	1	40	-1.0	-43.11	331.08	7.40	-35.71
CC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CCC2=C1	REAL300020256635	0	47	-1.0	-45.19	378.65	9.47	-35.72
CC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CCC2=C1	REAL300020256635	1	47	-1.0	-45.12	378.69	9.46	-35.66
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020256636	0	40	-1.0	-44.20	328.01	2.91	-41.29
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020256636	1	40	-1.0	-44.18	328.07	2.93	-41.25
CC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256637	0	44	-1.0	-49.69	359.39	5.06	-44.63
CC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256637	1	44	-1.0	-49.68	359.44	5.05	-44.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020256638	0	46	-1.0	-41.17	352.79	7.77	-33.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020256638	1	46	-1.0	-41.19	352.85	7.78	-33.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020256639	0	43	-1.0	-43.17	331.49	6.99	-36.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020256639	1	43	-1.0	-43.14	331.55	7.01	-36.13
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020256640	0	50	-1.0	-43.13	384.10	9.83	-33.30
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020256640	1	50	-1.0	-43.14	384.16	9.81	-33.33
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C2=CC=CC=C21	REAL300020256641	0	40	-1.0	-45.23	324.64	9.73	-35.50
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C2=CC=CC=C21	REAL300020256641	1	40	-1.0	-45.25	324.70	9.74	-35.51
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C2=CC=CC=C21	REAL300020256642	0	44	-1.0	-47.47	356.66	11.83	-35.64
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C2=CC=CC=C21	REAL300020256642	1	44	-1.0	-47.42	356.70	11.83	-35.59
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256643	0	49	-1.0	-41.99	395.17	8.16	-33.83
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256643	1	49	-1.0	-42.01	395.23	8.17	-33.84
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256644	0	46	-1.0	-44.10	379.07	7.17	-36.93
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256644	1	46	-1.0	-44.10	379.12	7.20	-36.90
COCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256645	0	52	0.0	-64.27	384.64	5.91	-58.36
COCC(C)(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256645	1	51	-1.0	-41.21	383.86	3.80	-37.41
COCC(C)(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256645	1	51	-1.0	-41.24	383.91	3.81	-37.43
COCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256646	0	49	0.0	-64.47	364.25	5.17	-59.30
COCC(C)(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256646	1	48	-1.0	-43.70	362.35	3.02	-40.68
COCC(C)(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256646	1	48	-1.0	-43.70	362.41	3.05	-40.65
COCC(C)(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256647	0	56	0.0	-70.91	416.58	8.00	-62.91
COCC(C)(C)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256647	1	55	-1.0	-42.89	416.45	5.84	-37.05
COCC(C)(C)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256647	1	55	-1.0	-42.84	416.50	5.81	-37.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=C(CCCC3)S2)CC1	REAL300020256648	0	52	-1.0	-41.12	422.76	8.54	-32.58
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=C(CCCC3)S2)CC1	REAL300020256648	1	52	-1.0	-41.12	422.81	8.55	-32.57
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=C(CCCC3)S2)CC1	REAL300020256649	0	49	-1.0	-43.55	401.26	7.74	-35.81
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=C(CCCC3)S2)CC1	REAL300020256649	1	49	-1.0	-43.54	401.32	7.77	-35.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020256650	0	42	-1.0	-49.56	341.46	5.00	-44.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020256650	1	42	-1.0	-49.52	341.41	4.99	-44.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020256651	0	39	-1.0	-53.11	319.96	4.23	-48.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020256651	1	39	-1.0	-53.12	319.91	4.20	-48.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020256652	0	46	-1.0	-50.73	374.01	6.96	-43.77
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020256652	1	46	-1.0	-50.73	373.98	6.97	-43.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020256653	0	53	0.0	-66.77	410.49	9.57	-57.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020256653	1	53	0.0	-63.04	410.56	9.21	-53.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020256654	0	50	0.0	-66.13	385.77	8.80	-57.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020256654	1	50	0.0	-63.64	381.12	8.40	-55.24
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC3=C(F)C=CC(F)=C3O[C@H]2C1	REAL300020256655	0	43	-1.0	-49.13	363.40	6.34	-42.79
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC3=C(F)C=CC(F)=C3O[C@H]2C1	REAL300020256655	1	43	-1.0	-49.14	363.45	6.35	-42.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC3=C(F)C=CC(F)=C3O[C@H]2C1	REAL300020256656	0	40	-1.0	-52.74	341.90	5.55	-47.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC3=C(F)C=CC(F)=C3O[C@H]2C1	REAL300020256656	1	40	-1.0	-52.70	341.96	5.58	-47.12
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)[C@H](C)C1	REAL300020256657	0	46	-1.0	-42.24	365.05	7.67	-34.57
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)[C@H](C)C1	REAL300020256657	1	46	-1.0	-42.20	365.10	7.66	-34.54
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CC1=C(Br)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C(C)C2=N1	REAL300020256658	1	40	-1.0	-48.16	344.71	4.96	-43.20
CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256659	0	43	-1.0	-44.81	362.18	8.33	-36.48
CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256659	1	43	-1.0	-44.84	362.24	8.34	-36.50
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CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256661	1	47	-1.0	-47.91	393.02	10.37	-37.54
CCN(CCC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256662	0	48	-1.0	-43.19	401.81	8.82	-34.37
CCN(CCC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256662	1	48	-1.0	-43.23	401.86	8.84	-34.39
CCN(CCC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256663	0	45	-1.0	-44.93	380.22	7.92	-37.01
CCN(CCC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256663	1	45	-1.0	-44.97	380.28	7.94	-37.03
CN(CCCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256664	0	49	-1.0	-46.93	418.60	7.36	-39.57
CN(CCCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256664	1	49	-1.0	-46.96	418.66	7.38	-39.58
CN(CCCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256665	0	46	-1.0	-48.93	397.04	6.59	-42.34
CN(CCCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256665	1	46	-1.0	-48.89	397.10	6.62	-42.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020256666	0	49	-1.0	-42.02	389.43	9.62	-32.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020256666	1	49	-1.0	-42.01	389.49	9.64	-32.37
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020256667	0	46	-1.0	-45.33	366.97	8.83	-36.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020256667	1	46	-1.0	-45.35	366.92	8.80	-36.55
CC(C)N(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256668	0	48	-1.0	-41.63	401.18	8.57	-33.06
CC(C)N(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256668	1	48	-1.0	-41.60	401.24	8.58	-33.02
CC(C)N(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256669	0	45	-1.0	-46.47	367.60	8.38	-38.09
CC(C)N(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256669	1	45	-1.0	-46.52	367.63	8.41	-38.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020256670	0	42	-1.0	-41.93	337.80	5.43	-36.50
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020256670	1	42	-1.0	-41.91	337.85	5.45	-36.46
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020256671	0	39	-1.0	-45.19	318.00	4.78	-40.41
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020256671	1	39	-1.0	-45.18	318.06	4.81	-40.37
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020256672	0	46	-1.0	-44.75	369.66	7.57	-37.18
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020256672	1	46	-1.0	-44.75	369.68	7.55	-37.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020256673	0	41	-1.0	-42.48	326.34	4.68	-37.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020256673	1	41	-1.0	-42.49	326.40	4.70	-37.79
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020256674	0	45	-1.0	-44.70	358.35	6.92	-37.78
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020256674	1	45	-1.0	-44.69	358.38	6.91	-37.78
CN(CC1(O)CCC2=CC=CC=C21)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256675	0	47	-1.0	-42.10	377.57	6.68	-35.42
CN(CC1(O)CCC2=CC=CC=C21)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256675	1	47	-1.0	-42.08	377.63	6.69	-35.39
CN(CC1(O)CCC2=CC=CC=C21)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256676	0	44	-1.0	-45.29	355.13	5.86	-39.43
CN(CC1(O)CCC2=CC=CC=C21)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256676	1	44	-1.0	-45.33	355.19	5.89	-39.44
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256677	0	46	-1.0	-42.90	368.40	5.86	-37.04
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256677	1	46	-1.0	-42.95	368.46	5.88	-37.07
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256678	0	43	-1.0	-42.29	345.67	5.47	-36.82
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256678	1	43	-1.0	-42.34	345.72	5.50	-36.84
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256679	0	50	-1.0	-45.00	400.40	7.86	-37.14
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256679	1	50	-1.0	-44.95	400.51	7.86	-37.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020256680	0	50	-1.0	-42.23	376.02	6.72	-35.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020256680	1	50	-1.0	-42.27	376.07	6.74	-35.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020256681	0	47	-1.0	-44.89	355.60	5.96	-38.93
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020256681	1	47	-1.0	-44.88	355.66	5.99	-38.89
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020256682	0	54	-1.0	-43.39	414.75	8.61	-34.78
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020256682	1	54	-1.0	-43.37	414.81	8.59	-34.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020256683	0	52	-1.0	-41.09	377.08	8.17	-32.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020256683	1	52	-1.0	-41.11	377.14	8.18	-32.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020256684	0	49	-1.0	-43.47	355.58	7.37	-36.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020256684	1	49	-1.0	-43.46	355.64	7.40	-36.06
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020256685	0	56	-1.0	-43.35	408.56	10.28	-33.07
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020256685	1	56	-1.0	-43.35	408.59	10.27	-33.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)C1	REAL300020256686	0	50	-1.0	-46.76	407.77	6.61	-40.15
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)C1	REAL300020256686	1	50	-1.0	-46.77	407.82	6.62	-40.15
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)C1	REAL300020256687	0	47	-1.0	-47.12	387.97	5.86	-41.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)C1	REAL300020256687	1	47	-1.0	-47.16	388.02	5.89	-41.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020256688	0	54	-1.0	-42.69	410.96	8.47	-34.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020256688	1	54	-1.0	-42.71	411.01	8.49	-34.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020256689	0	51	-1.0	-45.80	389.33	7.68	-38.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020256689	1	51	-1.0	-45.84	389.39	7.71	-38.13
CC1CC2(CN1C1=NN=C(CCC3=N[N-]N=N3)N1C)CCOCC2	REAL300020256690	0	47	-1.0	-41.93	360.82	5.66	-36.27
CC1CC2(CN1C1=NN=C(CCC3=NN=N[N-]3)N1C)CCOCC2	REAL300020256690	1	47	-1.0	-41.94	360.88	5.68	-36.26
CC1CC2(CN1C1=NN=C(CC3=N[N-]N=N3)N1C)CCOCC2	REAL300020256691	0	44	-1.0	-44.76	335.15	4.74	-40.02
CC1CC2(CN1C1=NN=C(CC3=NN=N[N-]3)N1C)CCOCC2	REAL300020256691	1	44	-1.0	-44.77	335.21	4.77	-40.00
CC1CC2(CN1C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)CCOCC2	REAL300020256692	0	51	-1.0	-44.04	391.33	7.71	-36.33
CC1CC2(CN1C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)CCOCC2	REAL300020256692	1	51	-1.0	-43.98	391.35	7.70	-36.28
C#CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256693	0	42	-1.0	-42.14	352.21	8.49	-33.65
C#CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256693	1	42	-1.0	-42.18	352.27	8.47	-33.71
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020256694	0	41	-1.0	-41.31	333.56	7.29	-34.02
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020256694	1	41	-1.0	-41.32	333.62	7.31	-34.01
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256695	0	45	-1.0	-43.75	365.49	9.40	-34.35
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256695	1	45	-1.0	-43.75	365.52	9.39	-34.36
CC1=CC=C(CN(CC2CC2)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=N1	REAL300020256696	0	48	-1.0	-42.59	384.97	6.84	-35.75
CC1=CC=C(CN(CC2CC2)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=N1	REAL300020256696	1	48	-1.0	-42.54	385.03	6.86	-35.68
CC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=NN=N[N-]3)N2C)C=N1	REAL300020256697	0	45	-1.0	-44.51	375.95	6.94	-37.57
CC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=N[N-]N=N3)N2C)C=N1	REAL300020256697	1	45	-1.0	-44.50	375.89	6.91	-37.59
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300020256698	0	45	-1.0	-43.38	364.08	6.44	-36.94
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300020256698	1	45	-1.0	-43.39	364.14	6.46	-36.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300020256699	0	42	-1.0	-46.75	347.56	5.89	-40.86
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300020256699	1	42	-1.0	-46.77	347.62	5.91	-40.86
CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020256700	0	43	-1.0	-41.43	350.71	5.37	-36.06
CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020256700	1	43	-1.0	-41.44	350.76	5.38	-36.06
CC(C)O[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256701	0	47	-1.0	-43.44	372.17	6.90	-36.54
CC(C)O[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256701	1	47	-1.0	-43.40	372.20	6.89	-36.51
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1C(=O)OC(C)(C)C	REAL300020256702	0	54	-1.0	-43.01	405.79	8.36	-34.65
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1C(=O)OC(C)(C)C	REAL300020256702	1	54	-1.0	-42.99	405.84	8.38	-34.61
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1C(=O)OC(C)(C)C	REAL300020256703	0	51	-1.0	-45.47	385.28	7.59	-37.88
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1C(=O)OC(C)(C)C	REAL300020256703	1	51	-1.0	-45.47	385.33	7.62	-37.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020256704	0	43	-1.0	-44.17	356.06	6.47	-37.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020256704	1	43	-1.0	-44.14	356.01	6.45	-37.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020256705	0	40	-1.0	-47.01	335.66	5.72	-41.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020256705	1	40	-1.0	-47.01	335.60	5.69	-41.32
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020256706	0	47	-1.0	-46.56	387.88	8.54	-38.02
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020256706	1	47	-1.0	-46.57	387.86	8.55	-38.02
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300020256707	0	46	-1.0	-44.61	381.95	8.76	-35.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300020256707	1	46	-1.0	-44.62	382.00	8.78	-35.84
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300020256708	0	43	-1.0	-46.52	361.51	8.00	-38.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300020256708	1	43	-1.0	-46.54	361.57	8.03	-38.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020256709	0	44	-1.0	-49.07	356.91	1.72	-47.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020256709	1	44	-1.0	-49.04	356.96	1.73	-47.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020256710	0	41	-1.0	-50.88	343.57	0.70	-50.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020256710	1	41	-1.0	-50.88	343.63	0.72	-50.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020256711	0	44	-1.0	-42.35	361.27	7.03	-35.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020256711	1	44	-1.0	-42.41	361.33	7.04	-35.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020256712	0	41	-1.0	-44.05	340.84	6.28	-37.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020256712	1	41	-1.0	-44.04	340.90	6.30	-37.74
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020256713	0	48	-1.0	-44.29	383.92	8.59	-35.70
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020256713	1	48	-1.0	-44.26	383.99	8.59	-35.67
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020256714	0	52	0.0	-59.72	390.87	6.02	-53.70
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020256714	1	52	0.0	-61.66	387.44	5.53	-56.13
COCCN1[C@H](C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@@H]1C	REAL300020256714	1	51	-1.0	-40.83	386.16	4.12	-36.71
COCCN1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020256714	1	51	-1.0	-40.82	386.22	4.13	-36.69
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020256715	0	49	0.0	-58.60	361.84	5.35	-53.25
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020256715	1	49	0.0	-61.11	365.24	4.72	-56.39
COCCN1[C@H](C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@@H]1C	REAL300020256715	1	48	-1.0	-44.17	360.07	3.25	-40.92
COCCN1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020256715	1	48	-1.0	-44.13	360.13	3.27	-40.86
COCC[N@H+]1[C@H](C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1C	REAL300020256716	0	56	0.0	-68.37	415.43	8.23	-60.14
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1C	REAL300020256716	1	56	0.0	-66.43	419.43	7.56	-58.87
COCCN1[C@H](C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@@H]1C	REAL300020256716	1	55	-1.0	-44.13	413.54	6.15	-37.98
COCCN1[C@H](C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1C	REAL300020256716	1	55	-1.0	-44.09	413.56	6.14	-37.95
CCCC1=NOC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256717	0	53	-1.0	-45.17	421.36	6.94	-38.23
CCCC1=NOC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256717	1	53	-1.0	-45.19	421.42	6.95	-38.24
CCCC1=NOC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256718	0	50	-1.0	-47.91	399.87	6.15	-41.76
CCCC1=NOC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256718	1	50	-1.0	-47.91	399.92	6.17	-41.74
CC(=O)NCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256719	0	43	-1.0	-46.44	362.77	4.39	-42.05
CC(=O)NCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256719	1	43	-1.0	-46.41	362.80	4.38	-42.03
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1C	REAL300020256720	0	42	-1.0	-43.83	345.89	5.87	-37.96
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1C	REAL300020256720	1	42	-1.0	-43.86	345.95	5.88	-37.98
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1C	REAL300020256721	0	39	-1.0	-45.76	320.26	4.98	-40.78
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1C	REAL300020256721	1	39	-1.0	-45.76	320.32	5.00	-40.76
COC(=O)[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H]1C	REAL300020256722	0	46	-1.0	-46.37	376.80	7.95	-38.42
COC(=O)[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H]1C	REAL300020256722	1	46	-1.0	-46.37	376.86	7.94	-38.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020256723	0	37	-1.0	-40.58	321.54	6.65	-33.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020256723	1	37	-1.0	-40.58	321.60	6.67	-33.91
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020256724	0	34	-1.0	-40.76	300.09	5.89	-34.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020256724	1	34	-1.0	-40.78	300.04	5.87	-34.91
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020256725	0	41	-1.0	-43.40	352.85	8.72	-34.68
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020256725	1	41	-1.0	-43.40	352.94	8.71	-34.69
COC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020256726	0	41	-1.0	-42.72	336.75	5.82	-36.90
COC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020256726	1	41	-1.0	-42.73	336.80	5.83	-36.90
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020256727	0	38	-1.0	-45.60	319.66	5.21	-40.39
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020256727	1	38	-1.0	-45.54	319.60	5.19	-40.35
COC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2=C1	REAL300020256728	0	45	-1.0	-44.73	369.05	7.92	-36.81
COC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2=C1	REAL300020256728	1	45	-1.0	-44.64	369.12	7.90	-36.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020256729	0	38	-1.0	-43.59	328.11	6.91	-36.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020256729	1	38	-1.0	-43.59	328.16	6.93	-36.66
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020256730	0	35	-1.0	-46.13	311.01	6.30	-39.83
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020256730	1	35	-1.0	-46.13	310.95	6.27	-39.86
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020256731	0	42	-1.0	-46.06	360.40	9.01	-37.05
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020256731	1	42	-1.0	-46.02	360.48	9.00	-37.02
CC(=O)NC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020256732	0	47	-1.0	-46.39	378.78	6.69	-39.70
CC(=O)NC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020256732	1	47	-1.0	-46.39	378.83	6.71	-39.68
CC(=O)NC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020256733	0	44	-1.0	-49.91	356.17	4.85	-45.06
CC(=O)NC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020256733	1	44	-1.0	-49.94	356.23	4.87	-45.07
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256734	0	42	-1.0	-45.08	345.42	8.69	-36.39
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256734	1	42	-1.0	-45.08	345.47	8.69	-36.39
CN(CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256735	0	42	-1.0	-42.91	361.67	6.23	-36.68
CN(CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256735	1	42	-1.0	-42.91	361.72	6.24	-36.67
CN(CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256736	0	39	-1.0	-46.46	341.12	5.48	-40.98
CN(CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256736	1	39	-1.0	-46.43	341.17	5.51	-40.92
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256737	0	45	-2.0	-77.18	381.12	3.28	-73.90
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256737	1	46	-1.0	-41.32	386.60	5.08	-36.24
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256737	1	46	-1.0	-41.28	386.55	5.07	-36.21
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256737	1	45	-2.0	-77.14	381.18	3.30	-73.84
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256738	0	42	-2.0	-82.55	361.45	2.01	-80.54
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256738	1	43	-1.0	-43.68	356.23	3.44	-40.24
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256738	1	42	-2.0	-82.53	361.51	2.03	-80.50
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256738	1	43	-1.0	-43.69	356.29	3.46	-40.23
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300020256739	0	44	-1.0	-46.31	373.95	8.14	-38.17
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300020256739	1	44	-1.0	-46.28	374.01	8.16	-38.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300020256740	0	41	-1.0	-50.00	353.62	7.41	-42.59
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300020256740	1	41	-1.0	-49.99	353.57	7.39	-42.60
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1C1=CC=CC=C1	REAL300020256741	0	49	-1.0	-43.99	399.12	8.61	-35.38
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1C1=CC=CC=C1	REAL300020256741	1	49	-1.0	-44.04	399.18	8.62	-35.42
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1C1=CC=CC=C1	REAL300020256742	0	46	-1.0	-45.82	378.62	7.85	-37.97
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1C1=CC=CC=C1	REAL300020256742	1	46	-1.0	-45.82	378.68	7.88	-37.94
CC1=CN=C(OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)N=C1	REAL300020256743	0	48	-1.0	-44.47	395.30	4.25	-40.22
CC1=CN=C(OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)N=C1	REAL300020256743	1	48	-1.0	-44.51	395.24	4.24	-40.27
CC1=CN=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)N=C1	REAL300020256744	0	45	-1.0	-48.04	368.78	3.55	-44.49
CC1=CN=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)N=C1	REAL300020256744	1	45	-1.0	-48.03	368.73	3.52	-44.51
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1C1CC1	REAL300020256745	0	46	-1.0	-42.81	375.63	7.21	-35.60
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1C1CC1	REAL300020256745	1	46	-1.0	-42.82	375.69	7.22	-35.60
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1C1CC1	REAL300020256746	0	43	-1.0	-46.14	354.13	6.42	-39.72
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1C1CC1	REAL300020256746	1	43	-1.0	-46.13	354.19	6.45	-39.68
COC(=O)[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H]1C1CC1	REAL300020256747	0	50	-1.0	-43.06	408.39	9.27	-33.79
COC(=O)[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H]1C1CC1	REAL300020256747	1	50	-1.0	-42.96	408.42	9.26	-33.70
CCC1=CSC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256748	0	51	-1.0	-42.65	414.76	8.36	-34.29
CCC1=CSC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256748	1	51	-1.0	-42.67	414.82	8.38	-34.29
CCC1=CSC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256749	0	48	-1.0	-45.72	399.02	7.35	-38.37
CCC1=CSC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256749	1	48	-1.0	-45.71	399.08	7.38	-38.33
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=C(F)C=C2F)CC1	REAL300020256750	0	49	-1.0	-45.75	397.89	9.86	-35.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=C(F)C=C2F)CC1	REAL300020256750	1	49	-1.0	-45.73	397.95	9.89	-35.84
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=NC=CC=C3C=C2)CC1	REAL300020256751	0	50	-1.0	-52.09	399.89	8.29	-43.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=NC=CC=C3C=C2)CC1	REAL300020256751	1	50	-1.0	-52.07	399.95	8.31	-43.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=NC=CC=C3C=C2)CC1	REAL300020256752	0	47	-1.0	-53.93	379.48	7.53	-46.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=NC=CC=C3C=C2)CC1	REAL300020256752	1	47	-1.0	-53.92	379.54	7.56	-46.36
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256753	0	51	0.0	-62.94	367.22	7.17	-55.77
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256753	1	51	0.0	-62.96	367.28	7.18	-55.78
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256754	0	48	0.0	-63.17	346.81	6.41	-56.76
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256754	1	48	0.0	-63.19	346.87	6.43	-56.76
CCC(C)(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256755	0	55	0.0	-69.43	399.17	9.28	-60.15
CCC(C)(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256755	1	55	0.0	-69.40	399.20	9.27	-60.13
CC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=N1	REAL300020256756	0	37	-1.0	-40.85	315.06	3.07	-37.78
CC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=N1	REAL300020256756	1	37	-1.0	-40.87	315.12	3.08	-37.79
CC1=NOC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=N1	REAL300020256757	0	41	-1.0	-42.91	353.21	4.97	-37.94
CC1=NOC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=N1	REAL300020256757	1	41	-1.0	-42.90	353.25	4.96	-37.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020256758	0	47	-1.0	-41.27	364.87	6.29	-34.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020256758	1	47	-1.0	-41.28	364.93	6.31	-34.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020256759	0	44	-1.0	-44.88	344.37	5.54	-39.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020256759	1	44	-1.0	-44.87	344.43	5.57	-39.30
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020256760	0	51	-1.0	-44.30	405.23	8.93	-35.37
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020256760	1	51	-1.0	-44.28	405.28	8.93	-35.35
CN1C=NN=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256761	0	44	-1.0	-47.52	360.52	7.13	-40.39
CN1C=NN=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256761	1	44	-1.0	-47.49	360.47	7.11	-40.38
CN1C=NN=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256762	0	41	-1.0	-52.39	332.65	6.59	-45.80
CN1C=NN=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256762	1	41	-1.0	-52.42	332.60	6.56	-45.86
CN1C=NN=C1N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256763	0	48	-1.0	-51.99	385.03	9.43	-42.56
CN1C=NN=C1N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256763	1	48	-1.0	-51.98	384.99	9.45	-42.53
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020256764	0	49	-1.0	-41.26	373.08	7.74	-33.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020256764	1	49	-1.0	-41.30	373.14	7.76	-33.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020256765	0	46	-1.0	-42.96	343.13	7.35	-35.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020256765	1	46	-1.0	-42.92	343.19	7.37	-35.55
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CC1CCCC1	REAL300020256766	0	53	-1.0	-43.26	404.60	9.83	-33.43
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CC1CCCC1	REAL300020256766	1	53	-1.0	-43.24	404.62	9.82	-33.42
COC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256767	0	44	-1.0	-44.44	343.12	2.20	-42.24
COC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256767	1	44	-1.0	-44.47	343.17	2.22	-42.25
COC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256768	0	41	-1.0	-46.40	321.62	1.42	-44.98
COC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256768	1	41	-1.0	-46.38	321.68	1.44	-44.94
COC1(CO)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256769	0	48	-1.0	-46.58	373.95	4.24	-42.34
COC1(CO)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256769	1	48	-1.0	-46.61	373.99	4.24	-42.37
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC2(CCCCC2)O1	REAL300020256770	0	50	-1.0	-40.87	376.04	7.39	-33.48
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC2(CCCCC2)O1	REAL300020256770	1	50	-1.0	-40.86	376.09	7.41	-33.45
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC2(CCCCC2)O1	REAL300020256771	0	47	-1.0	-42.98	354.53	6.60	-36.38
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC2(CCCCC2)O1	REAL300020256771	1	47	-1.0	-43.00	354.59	6.62	-36.38
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC2(CCCCC2)O1	REAL300020256772	0	54	-1.0	-42.33	413.54	9.47	-32.86
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC2(CCCCC2)O1	REAL300020256772	1	54	-1.0	-42.32	413.59	9.46	-32.86
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256773	0	48	0.0	-63.22	370.50	7.16	-56.06
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256773	1	48	0.0	-63.17	370.44	7.15	-56.02
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256774	0	45	0.0	-62.12	342.09	6.59	-55.53
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256774	1	45	0.0	-62.11	342.15	6.62	-55.49
CN(CC[NH+]1CCCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256775	0	52	0.0	-68.72	394.55	9.47	-59.25
CN(CC[NH+]1CCCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256775	1	52	0.0	-68.70	394.59	9.46	-59.24
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCC2=CC=C(F)C=C21	REAL300020256776	0	46	-1.0	-42.25	338.65	6.43	-35.82
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCC2=CC=C(F)C=C21	REAL300020256776	1	46	-1.0	-42.26	338.71	6.44	-35.82
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCC2=CC=C(F)C=C21	REAL300020256777	0	43	-1.0	-44.07	336.33	7.00	-37.07
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCC2=CC=C(F)C=C21	REAL300020256777	1	43	-1.0	-44.11	336.39	7.02	-37.09
COCCOCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256778	0	52	-1.0	-44.54	410.59	3.00	-41.54
COCCOCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256778	1	52	-1.0	-44.53	410.65	3.02	-41.51
COCCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256778	1	53	0.0	-68.39	412.08	5.39	-63.00
COCCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256779	0	49	-1.0	-46.77	389.10	2.22	-44.55
COCCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256779	1	49	-1.0	-46.78	389.16	2.24	-44.54
COCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256779	1	50	0.0	-68.07	391.69	4.65	-63.42
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020256780	0	37	-1.0	-42.52	319.79	6.04	-36.48
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020256780	1	37	-1.0	-42.52	319.85	6.05	-36.47
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020256781	0	41	-1.0	-44.36	341.88	7.64	-36.72
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020256781	1	41	-1.0	-44.37	341.92	7.63	-36.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020256782	0	38	-1.0	-44.38	333.99	6.69	-37.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020256782	1	38	-1.0	-44.37	334.05	6.70	-37.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020256783	0	35	-1.0	-48.15	312.56	5.93	-42.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020256783	1	35	-1.0	-48.21	312.50	5.90	-42.31
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020256784	0	42	-1.0	-46.50	364.76	8.76	-37.74
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020256784	1	42	-1.0	-46.44	364.80	8.75	-37.69
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300020256785	0	51	-1.0	-42.05	402.63	8.39	-33.66
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300020256785	1	51	-1.0	-42.07	402.68	8.40	-33.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300020256786	0	48	-1.0	-43.14	379.96	7.60	-35.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300020256786	1	48	-1.0	-43.13	380.01	7.63	-35.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCNC(=O)OC(C)(C)C)CC1	REAL300020256787	0	56	-1.0	-47.46	438.27	5.72	-41.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCNC(=O)OC(C)(C)C)CC1	REAL300020256787	1	56	-1.0	-47.48	438.33	5.75	-41.73
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020256788	0	48	-1.0	-41.50	380.61	6.48	-35.02
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020256788	1	49	0.0	-69.99	382.91	8.89	-61.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020256788	1	48	-1.0	-41.52	380.66	6.49	-35.03
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020256789	0	45	-1.0	-44.92	360.04	5.87	-39.05
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020256789	1	46	0.0	-67.38	361.47	8.11	-59.27
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020256789	1	45	-1.0	-44.96	360.10	5.90	-39.06
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020256790	0	38	-1.0	-45.51	322.56	7.42	-38.09
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020256790	1	38	-1.0	-45.53	322.60	7.40	-38.13
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020256791	0	40	-1.0	-42.98	331.06	7.80	-35.18
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020256791	1	40	-1.0	-43.03	330.87	7.78	-35.25
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020256792	0	40	-1.0	-43.21	331.72	6.96	-36.25
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020256792	1	40	-1.0	-43.23	331.78	6.98	-36.25
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020256793	0	37	-1.0	-45.66	310.23	6.18	-39.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020256793	1	37	-1.0	-45.66	310.28	6.20	-39.46
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020256794	0	44	-1.0	-45.79	362.65	9.05	-36.74
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020256794	1	44	-1.0	-45.77	362.68	9.05	-36.72
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300020256795	0	58	0.0	-62.74	425.69	8.66	-54.08
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300020256795	1	58	0.0	-63.20	424.31	9.01	-54.19
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300020256796	0	55	0.0	-65.34	405.19	7.86	-57.48
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300020256796	1	55	0.0	-61.26	392.55	8.07	-53.19
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300020256796	1	55	0.0	-65.37	405.25	7.89	-57.48
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300020256796	1	55	0.0	-61.27	392.61	8.10	-53.17
CCN1C=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C(C)C)C=N1	REAL300020256797	0	48	-1.0	-43.97	375.22	6.65	-37.32
CCN1C=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C(C)C)C=N1	REAL300020256797	1	48	-1.0	-43.97	375.16	6.64	-37.33
CCN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C(C)C)C=N1	REAL300020256798	0	45	-1.0	-47.83	354.66	5.91	-41.92
CCN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C(C)C)C=N1	REAL300020256798	1	45	-1.0	-47.81	354.60	5.88	-41.93
CCN1C=C(CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C(C)C)C=N1	REAL300020256799	0	52	-1.0	-45.86	411.43	9.15	-36.71
CCN1C=C(CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C(C)C)C=N1	REAL300020256799	1	52	-1.0	-45.87	411.38	9.16	-36.71
CNC(=O)C1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020256800	0	43	-1.0	-46.14	360.24	3.68	-42.46
CNC(=O)C1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020256800	1	43	-1.0	-46.15	360.29	3.70	-42.45
CNC(=O)C1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020256801	0	40	-1.0	-52.85	335.99	2.91	-49.94
CNC(=O)C1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020256801	1	40	-1.0	-52.85	336.05	2.93	-49.92
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(O)(C2=CC=C(Cl)C=C2)C1	REAL300020256802	0	47	-1.0	-44.54	387.77	6.44	-38.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(O)(C2=CC=C(Cl)C=C2)C1	REAL300020256802	1	47	-1.0	-44.55	387.83	6.45	-38.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(O)(C2=CC=C(Cl)C=C2)C1	REAL300020256803	0	44	-1.0	-47.96	366.26	5.65	-42.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(O)(C2=CC=C(Cl)C=C2)C1	REAL300020256803	1	44	-1.0	-47.98	366.32	5.68	-42.30
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H](C)O1	REAL300020256804	0	43	-1.0	-44.36	361.32	5.06	-39.30
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020256804	1	43	-1.0	-44.39	361.37	5.07	-39.32
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H](C)O1	REAL300020256805	0	40	-1.0	-45.77	339.83	4.25	-41.52
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020256805	1	40	-1.0	-45.81	339.88	4.27	-41.54
COC(=O)[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H](C)O1	REAL300020256806	0	47	-1.0	-47.36	386.85	7.39	-39.97
COC(=O)[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H](C)O1	REAL300020256806	1	47	-1.0	-47.32	386.86	7.36	-39.96
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC2(CCC2)O1	REAL300020256807	0	44	-1.0	-40.35	352.29	5.73	-34.62
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC2(CCC2)O1	REAL300020256807	1	44	-1.0	-40.37	352.35	5.75	-34.62
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC2(CCC2)O1	REAL300020256808	0	41	-1.0	-43.51	325.18	4.96	-38.55
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC2(CCC2)O1	REAL300020256808	1	41	-1.0	-43.52	325.24	4.99	-38.53
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC2(CCC2)O1	REAL300020256809	0	48	-1.0	-43.56	377.56	7.82	-35.74
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC2(CCC2)O1	REAL300020256809	1	48	-1.0	-43.63	377.60	7.81	-35.82
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCC2=CC=C(Cl)C=C21	REAL300020256810	0	46	-1.0	-41.64	348.96	6.87	-34.77
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCC2=CC=C(Cl)C=C21	REAL300020256810	1	46	-1.0	-41.68	349.02	6.89	-34.79
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCC2=CC=C(Cl)C=C21	REAL300020256811	0	43	-1.0	-43.60	346.66	7.45	-36.15
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCC2=CC=C(Cl)C=C21	REAL300020256811	1	43	-1.0	-43.59	346.71	7.47	-36.12
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300020256812	0	53	-1.0	-41.60	401.90	10.10	-31.50
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300020256812	1	53	-1.0	-41.62	401.96	10.12	-31.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300020256813	0	50	-1.0	-44.95	374.36	9.34	-35.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300020256813	1	50	-1.0	-44.98	374.41	9.37	-35.61
COC1=CC=C(Cl)C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020256814	0	46	-1.0	-45.69	384.44	5.91	-39.78
COC1=CC=C(Cl)C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020256814	1	46	-1.0	-45.72	384.49	5.93	-39.79
CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256815	0	43	-1.0	-40.66	341.38	5.49	-35.17
CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256815	1	43	-1.0	-40.68	341.44	5.50	-35.18
CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256816	0	47	-1.0	-41.71	380.12	7.38	-34.33
CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256816	1	47	-1.0	-41.66	380.19	7.36	-34.30
COC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)N=C1	REAL300020256817	0	49	-1.0	-44.47	388.32	6.36	-38.11
COC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)N=C1	REAL300020256817	1	49	-1.0	-44.51	388.38	6.38	-38.13
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)N=C1	REAL300020256818	0	46	-1.0	-46.80	367.91	5.61	-41.19
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)N=C1	REAL300020256818	1	46	-1.0	-46.80	367.97	5.63	-41.17
COC1=CC=C(N(C)CCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020256819	0	51	-1.0	-43.76	410.89	6.92	-36.84
COC1=CC=C(N(C)CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020256819	1	51	-1.0	-43.76	410.94	6.94	-36.82
COC1=CC=C(N(C)CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020256820	0	48	-1.0	-45.31	390.40	6.18	-39.13
COC1=CC=C(N(C)CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020256820	1	48	-1.0	-45.31	390.46	6.21	-39.10
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCCOC1	REAL300020256821	0	43	-1.0	-42.82	334.00	3.98	-38.84
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCCOC1	REAL300020256821	1	43	-1.0	-42.90	334.06	4.00	-38.90
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCCOC1	REAL300020256822	0	47	-1.0	-44.26	366.87	6.71	-37.55
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCCOC1	REAL300020256822	1	47	-1.0	-44.26	366.90	6.68	-37.58
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)OC2=C(C)C=CC=C12	REAL300020256823	0	48	-1.0	-43.92	386.16	8.74	-35.18
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)OC2=C(C)C=CC=C12	REAL300020256823	1	48	-1.0	-43.94	386.21	8.75	-35.19
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)OC2=C(C)C=CC=C12	REAL300020256824	0	45	-1.0	-48.29	365.61	7.99	-40.30
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)OC2=C(C)C=CC=C12	REAL300020256824	1	45	-1.0	-48.26	365.67	8.02	-40.24
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC2(CCCC2)O1	REAL300020256825	0	47	-1.0	-41.11	359.74	6.39	-34.72
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC2(CCCC2)O1	REAL300020256825	1	47	-1.0	-41.08	359.79	6.41	-34.67
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC2(CCCC2)O1	REAL300020256826	0	44	-1.0	-43.58	340.09	5.70	-37.88
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC2(CCCC2)O1	REAL300020256826	1	44	-1.0	-43.61	340.14	5.72	-37.89
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC2(CCCC2)O1	REAL300020256827	0	51	-1.0	-42.86	394.03	8.49	-34.37
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC2(CCCC2)O1	REAL300020256827	1	51	-1.0	-42.83	394.07	8.49	-34.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(Cl)=CC=C2Cl)CC1	REAL300020256828	0	42	-1.0	-43.91	371.69	7.12	-36.79
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(Cl)=CC=C2Cl)CC1	REAL300020256828	1	42	-1.0	-43.92	371.75	7.14	-36.78
CC(C)OC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020256829	0	46	-1.0	-41.50	368.66	5.99	-35.51
CC(C)OC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020256829	1	46	-1.0	-41.51	368.72	6.01	-35.50
CC(C)OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020256830	0	43	-1.0	-44.73	341.78	4.98	-39.75
CC(C)OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020256830	1	43	-1.0	-44.70	341.84	5.01	-39.69
CC(C)OC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256831	0	50	-1.0	-45.11	388.57	8.13	-36.98
CC(C)OC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256831	1	50	-1.0	-45.10	388.61	8.13	-36.97
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCC2=CC=CC=C21	REAL300020256832	0	46	-1.0	-41.56	350.38	7.68	-33.88
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCC2=CC=CC=C21	REAL300020256832	1	46	-1.0	-41.56	350.44	7.69	-33.87
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCC2=CC=CC=C21	REAL300020256833	0	43	-1.0	-44.15	329.98	6.95	-37.20
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCC2=CC=CC=C21	REAL300020256833	1	43	-1.0	-44.10	329.93	6.93	-37.17
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCC2=CC=CC=C21	REAL300020256834	0	50	-1.0	-44.08	364.86	8.38	-35.70
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCC2=CC=CC=C21	REAL300020256834	1	50	-1.0	-44.06	364.82	8.37	-35.69
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020256835	0	42	-1.0	-47.86	334.35	2.29	-45.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020256835	1	42	-1.0	-47.90	334.40	2.30	-45.60
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020256836	0	39	-1.0	-49.87	312.85	1.50	-48.37
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020256836	1	39	-1.0	-49.87	312.91	1.53	-48.34
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020256837	0	46	-1.0	-50.74	365.61	4.36	-46.38
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020256837	1	46	-1.0	-50.65	365.66	4.33	-46.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020256838	0	46	-1.0	-45.24	375.96	8.19	-37.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020256838	1	46	-1.0	-45.28	376.01	8.21	-37.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020256839	0	43	-1.0	-46.28	354.46	7.41	-38.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020256839	1	43	-1.0	-46.26	354.52	7.43	-38.83
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020256840	0	40	-1.0	-41.58	342.27	7.15	-34.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020256840	1	40	-1.0	-41.58	342.32	7.17	-34.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020256841	0	37	-1.0	-43.20	320.64	6.37	-36.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020256841	1	37	-1.0	-43.22	320.70	6.39	-36.83
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3=CC=CC=C3F)=NN=C2C1	REAL300020256842	0	46	-1.0	-49.88	387.89	8.89	-40.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3=CC=CC=C3F)=NN=C2C1	REAL300020256842	1	46	-1.0	-49.89	387.94	8.91	-40.98
CCN(CCSC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256843	0	43	-1.0	-45.59	355.98	7.32	-38.27
CCN(CCSC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256843	1	43	-1.0	-45.63	356.01	7.32	-38.31
CN(C)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256844	0	45	-1.0	-48.10	349.20	4.44	-43.66
CN(C)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256844	1	45	-1.0	-48.09	349.25	4.45	-43.64
CN(C)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256845	0	42	-1.0	-48.50	328.90	3.87	-44.63
CN(C)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256845	1	42	-1.0	-48.51	328.95	3.89	-44.62
CN(C)C(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020256846	0	49	-1.0	-47.76	384.97	6.55	-41.21
CN(C)C(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020256846	1	49	-1.0	-47.75	385.00	6.54	-41.21
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=C(F)C=CC=C2Cl)C1	REAL300020256847	0	44	-1.0	-43.39	380.09	7.47	-35.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=C(F)C=CC=C2Cl)C1	REAL300020256847	1	44	-1.0	-43.42	380.15	7.48	-35.94
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=C(F)C=CC=C2Cl)C1	REAL300020256848	0	41	-1.0	-46.64	360.54	6.35	-40.29
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=C(F)C=CC=C2Cl)C1	REAL300020256848	1	41	-1.0	-46.62	360.59	6.37	-40.25
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020256849	0	46	-1.0	-42.14	371.35	8.55	-33.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020256849	1	46	-1.0	-42.14	371.41	8.56	-33.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020256850	0	43	-1.0	-44.93	345.85	7.65	-37.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020256850	1	43	-1.0	-44.94	345.91	7.67	-37.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020256851	0	40	-1.0	-40.55	336.78	6.93	-33.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020256851	1	40	-1.0	-40.54	336.83	6.94	-33.60
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020256852	0	37	-1.0	-42.90	314.89	6.10	-36.80
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020256852	1	37	-1.0	-42.92	314.95	6.12	-36.80
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020256853	0	44	-1.0	-44.27	362.54	9.12	-35.15
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020256853	1	44	-1.0	-44.25	362.58	9.09	-35.16
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020256854	0	41	-1.0	-46.16	341.65	5.32	-40.84
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020256854	1	41	-1.0	-46.18	341.70	5.31	-40.87
CC1CC1C1=NOC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256855	0	54	-1.0	-45.53	431.13	7.76	-37.77
CC1CC1C1=NOC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256855	1	54	-1.0	-45.52	431.19	7.77	-37.75
CC1CC1C1=NOC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020256856	0	51	-1.0	-48.29	409.64	6.96	-41.33
CC1CC1C1=NOC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020256856	1	51	-1.0	-48.31	409.69	6.99	-41.32
CC(CSC1=CC=CC=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256857	0	46	-1.0	-40.31	382.30	8.19	-32.12
CC(CSC1=CC=CC=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256857	1	46	-1.0	-40.33	382.36	8.21	-32.12
CC(CSC1=CC=CC=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256858	0	43	-1.0	-43.02	361.20	8.17	-34.85
CC(CSC1=CC=CC=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256858	1	43	-1.0	-43.03	361.26	8.20	-34.83
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020256859	0	52	-1.0	-40.49	384.71	9.12	-31.37
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020256859	1	52	-1.0	-40.51	384.76	9.13	-31.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020256860	0	49	-1.0	-42.63	369.30	8.28	-34.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020256860	1	49	-1.0	-42.60	369.35	8.30	-34.30
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020256861	0	56	-1.0	-42.83	416.91	11.23	-31.60
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020256861	1	56	-1.0	-42.75	416.98	11.21	-31.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020256862	0	45	-1.0	-51.17	360.95	9.01	-42.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020256862	1	45	-1.0	-51.17	360.89	9.00	-42.17
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020256863	0	42	-1.0	-52.43	346.60	8.21	-44.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020256863	1	42	-1.0	-52.43	346.54	8.19	-44.24
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020256864	0	49	-1.0	-52.96	399.68	10.87	-42.09
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020256864	1	49	-1.0	-53.04	399.62	10.89	-42.15
COCC1=NN=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCN12	REAL300020256865	0	43	-1.0	-46.81	356.20	4.99	-41.82
COCC1=NN=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCN12	REAL300020256865	1	43	-1.0	-46.82	356.25	5.01	-41.81
COCC1=NN=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCN12	REAL300020256866	0	40	-1.0	-48.15	334.70	4.21	-43.94
COCC1=NN=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCN12	REAL300020256866	1	40	-1.0	-48.11	334.75	4.23	-43.88
COCC1=NN=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CCN12	REAL300020256867	0	47	-1.0	-49.57	387.29	7.10	-42.47
COCC1=NN=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CCN12	REAL300020256867	1	47	-1.0	-49.64	387.08	7.08	-42.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020256868	0	44	-1.0	-40.84	372.49	8.77	-32.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020256868	1	44	-1.0	-40.87	372.54	8.79	-32.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020256869	0	41	-1.0	-43.61	349.93	7.95	-35.66
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020256869	1	41	-1.0	-43.58	349.99	7.98	-35.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300020256870	0	47	-1.0	-42.71	386.56	9.60	-33.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300020256870	1	47	-1.0	-42.71	386.62	9.62	-33.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300020256871	0	44	-1.0	-45.16	365.07	8.82	-36.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300020256871	1	44	-1.0	-45.14	365.12	8.84	-36.30
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C(F)F)C1	REAL300020256872	0	51	-1.0	-42.55	412.83	8.13	-34.42
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C(F)F)C1	REAL300020256872	1	51	-1.0	-42.58	412.88	8.14	-34.44
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C(F)F)C1	REAL300020256873	0	48	-1.0	-44.89	381.56	6.54	-38.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C(F)F)C1	REAL300020256873	1	48	-1.0	-44.91	381.62	6.56	-38.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020256874	0	47	-1.0	-42.82	370.92	7.56	-35.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020256874	1	47	-1.0	-42.80	370.97	7.58	-35.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020256875	0	44	-1.0	-45.34	349.40	6.78	-38.56
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020256875	1	44	-1.0	-45.35	349.46	6.80	-38.55
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256876	0	46	-1.0	-44.94	381.93	7.37	-37.57
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256876	1	46	-1.0	-44.97	381.99	7.39	-37.58
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256877	0	43	-1.0	-44.90	360.66	6.62	-38.28
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256877	1	43	-1.0	-44.92	360.73	6.65	-38.27
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256878	0	50	-1.0	-48.09	411.74	9.74	-38.35
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256878	1	50	-1.0	-48.09	411.78	9.73	-38.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020256879	0	42	-1.0	-48.58	338.36	4.44	-44.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020256879	1	42	-1.0	-48.61	338.42	4.45	-44.16
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020256880	0	39	-1.0	-48.25	316.85	3.65	-44.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020256880	1	39	-1.0	-48.19	316.91	3.68	-44.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020256881	0	46	-1.0	-50.89	369.66	6.50	-44.39
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020256881	1	46	-1.0	-50.80	369.71	6.47	-44.33
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020256882	0	41	-1.0	-42.88	324.61	7.89	-34.99
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020256882	1	41	-1.0	-42.93	324.64	7.88	-35.05
CC1COC2(CCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256883	0	44	-1.0	-40.76	350.69	4.61	-36.15
CC1COC2(CCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256883	1	44	-1.0	-40.80	350.74	4.63	-36.17
CC1COC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256884	0	41	-1.0	-43.05	329.38	3.87	-39.18
CC1COC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256884	1	41	-1.0	-43.06	329.43	3.89	-39.17
CC1COC2(CCC2)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256885	0	48	-1.0	-42.68	382.39	6.64	-36.04
CC1COC2(CCC2)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256885	1	48	-1.0	-42.59	382.45	6.63	-35.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020256886	0	46	-1.0	-42.74	355.47	3.13	-39.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020256886	1	46	-1.0	-42.77	355.53	3.14	-39.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020256886	1	47	0.0	-69.50	357.27	5.30	-64.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020256887	0	43	-1.0	-44.98	333.97	2.34	-42.64
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020256887	1	43	-1.0	-45.01	334.03	2.37	-42.64
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020256887	1	44	0.0	-66.45	335.78	4.52	-61.93
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020256888	0	50	-1.0	-44.60	388.15	5.27	-39.33
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020256888	1	50	-1.0	-44.51	388.18	5.26	-39.25
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020256888	1	51	0.0	-75.99	389.18	7.39	-68.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020256889	0	49	-1.0	-40.98	369.44	8.33	-32.65
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020256889	1	49	-1.0	-41.04	369.49	8.34	-32.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020256890	0	46	-1.0	-43.20	349.65	7.58	-35.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020256890	1	46	-1.0	-43.18	349.70	7.61	-35.57
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020256891	0	53	-1.0	-43.12	400.42	10.38	-32.74
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020256891	1	53	-1.0	-43.09	400.45	10.37	-32.72
CN(C)S(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020256892	0	46	-1.0	-48.05	376.99	2.41	-45.64
CN(C)S(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020256892	1	46	-1.0	-48.05	377.05	2.42	-45.63
CN(C)S(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020256893	0	43	-1.0	-49.57	355.50	1.61	-47.96
CN(C)S(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020256893	1	43	-1.0	-49.55	355.55	1.64	-47.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC(C1=CC=CC=C1)=N2	REAL300020256894	0	46	-1.0	-42.59	391.62	8.67	-33.92
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC(C1=CC=CC=C1)=N2	REAL300020256894	1	46	-1.0	-42.59	391.57	8.66	-33.93
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC(C1=CC=CC=C1)=N2	REAL300020256895	0	43	-1.0	-45.17	370.13	7.90	-37.27
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC(C1=CC=CC=C1)=N2	REAL300020256895	1	43	-1.0	-45.17	370.07	7.87	-37.30
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020256896	0	55	0.0	-70.90	424.89	10.20	-60.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020256896	1	55	0.0	-69.65	424.89	10.22	-59.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020256896	1	55	0.0	-70.90	424.95	10.22	-60.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020256896	1	55	0.0	-69.62	424.94	10.23	-59.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020256897	0	52	0.0	-69.94	402.93	9.28	-60.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020256897	1	52	0.0	-66.85	408.33	9.20	-57.65
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020256897	1	52	0.0	-69.99	402.99	9.30	-60.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020256897	1	52	0.0	-66.88	408.39	9.22	-57.66
CC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020256898	0	43	-1.0	-41.31	347.39	8.31	-33.00
CC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020256898	1	43	-1.0	-41.33	347.45	8.32	-33.01
CC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020256899	0	40	-1.0	-43.99	325.95	7.55	-36.44
CC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020256899	1	40	-1.0	-43.98	325.89	7.52	-36.46
CC1=CC=C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2=C1	REAL300020256900	0	47	-1.0	-43.44	378.52	10.41	-33.03
CC1=CC=C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2=C1	REAL300020256900	1	47	-1.0	-43.48	378.31	10.39	-33.09
CC(C)C1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020256901	0	49	-1.0	-42.87	385.51	8.35	-34.52
CC(C)C1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020256901	1	49	-1.0	-42.88	385.56	8.36	-34.52
CC(C)C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020256902	0	46	-1.0	-45.32	364.06	7.60	-37.72
CC(C)C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020256902	1	46	-1.0	-45.33	364.00	7.57	-37.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(Cl)=C2C1	REAL300020256903	0	40	-1.0	-43.20	354.65	7.30	-35.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(Cl)=C2C1	REAL300020256903	1	40	-1.0	-43.20	354.71	7.31	-35.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(Cl)=C2C1	REAL300020256904	0	37	-1.0	-46.17	333.15	6.52	-39.65
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(Cl)=C2C1	REAL300020256904	1	37	-1.0	-46.20	333.21	6.55	-39.65
COCCN(CCF)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256905	0	43	-1.0	-42.54	351.08	5.86	-36.68
COCCN(CCF)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256905	1	43	-1.0	-42.48	351.09	5.84	-36.64
CC1=CC=C2NC3=C(CN(C4=NN=C(CCC5=N[N-]N=N5)N4C)CC3)C2=C1	REAL300020256906	0	47	-1.0	-45.76	376.06	7.11	-38.65
CC1=CC=C2NC3=C(CN(C4=NN=C(CCC5=NN=N[N-]5)N4C)CC3)C2=C1	REAL300020256906	1	47	-1.0	-45.79	376.12	7.12	-38.67
CC1=CC=C2NC3=C(CN(C4=NN=C(CC5=NN=N[N-]5)N4C)CC3)C2=C1	REAL300020256907	0	44	-1.0	-44.60	364.58	7.29	-37.31
CC1=CC=C2NC3=C(CN(C4=NN=C(CC5=N[N-]N=N5)N4C)CC3)C2=C1	REAL300020256907	1	44	-1.0	-44.61	364.52	7.27	-37.34
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020256908	0	44	-1.0	-44.21	351.52	3.86	-40.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020256908	1	44	-1.0	-44.24	351.58	3.87	-40.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020256909	0	41	-1.0	-45.62	324.19	3.11	-42.51
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020256909	1	41	-1.0	-45.59	324.25	3.13	-42.46
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020256910	0	48	-1.0	-47.86	377.64	6.04	-41.82
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020256910	1	48	-1.0	-47.79	377.68	6.03	-41.76
CN(CC1COCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256911	0	41	-1.0	-43.46	332.60	3.16	-40.30
CN(CC1COCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256911	1	41	-1.0	-43.45	332.65	3.17	-40.28
CN(CC1COCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256912	0	45	-1.0	-44.91	367.95	5.17	-39.74
CN(CC1COCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256912	1	45	-1.0	-44.86	368.02	5.16	-39.70
CN(CC1=CCCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256913	0	41	-1.0	-40.17	337.53	4.77	-35.40
CN(CC1=CCCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256913	1	41	-1.0	-40.16	337.58	4.79	-35.37
CN(CC1=CCCOC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256914	0	45	-1.0	-43.97	358.36	7.10	-36.87
CN(CC1=CCCOC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256914	1	45	-1.0	-43.91	358.40	7.09	-36.82
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1F	REAL300020256915	0	47	-1.0	-43.72	376.71	6.28	-37.44
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1F	REAL300020256915	1	47	-1.0	-43.69	376.76	6.30	-37.39
COC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1F	REAL300020256916	0	44	-1.0	-50.74	356.46	6.58	-44.16
COC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1F	REAL300020256916	1	44	-1.0	-50.76	356.52	6.60	-44.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020256917	0	49	-1.0	-39.66	363.50	7.77	-31.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020256917	1	49	-1.0	-39.64	363.55	7.79	-31.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020256918	0	46	-1.0	-42.95	334.33	7.20	-35.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020256918	1	46	-1.0	-42.97	334.38	7.23	-35.74
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020256919	0	53	-1.0	-42.86	387.73	10.12	-32.74
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020256919	1	53	-1.0	-42.78	387.77	10.11	-32.67
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C3=CC=CC=C3)C(C1)C2(F)F	REAL300020256920	0	47	-1.0	-41.16	379.10	8.98	-32.18
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C3=CC=CC=C3)C(C1)C2(F)F	REAL300020256920	1	47	-1.0	-41.18	379.16	8.99	-32.19
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C3=CC=CC=C3)C(C1)C2(F)F	REAL300020256921	0	44	-1.0	-44.41	361.23	8.79	-35.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C3=CC=CC=C3)C(C1)C2(F)F	REAL300020256921	1	44	-1.0	-44.42	361.29	8.81	-35.61
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020256922	0	44	-1.0	-42.62	337.33	4.54	-38.08
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020256922	1	44	-1.0	-42.60	337.39	4.56	-38.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020256923	0	41	-1.0	-43.84	318.99	3.84	-40.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020256923	1	41	-1.0	-43.86	319.04	3.86	-40.00
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020256924	0	48	-1.0	-44.42	372.38	6.72	-37.70
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020256924	1	48	-1.0	-44.41	372.40	6.72	-37.69
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020256925	0	41	-1.0	-43.62	333.50	0.18	-43.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020256925	1	41	-1.0	-43.62	333.56	0.19	-43.43
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(O)(CO)CC1	REAL300020256926	0	45	-1.0	-45.74	362.69	2.26	-43.48
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(O)(CO)CC1	REAL300020256926	1	45	-1.0	-45.77	362.73	2.25	-43.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020256927	0	46	-1.0	-39.85	360.91	8.07	-31.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020256927	1	46	-1.0	-39.86	360.97	8.08	-31.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020256928	0	43	-1.0	-41.80	340.44	7.30	-34.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020256928	1	43	-1.0	-41.81	340.50	7.33	-34.48
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020256929	0	50	-1.0	-42.20	388.50	10.12	-32.08
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020256929	1	50	-1.0	-42.19	388.54	10.12	-32.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300020256930	0	42	-1.0	-43.94	366.98	6.59	-37.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300020256930	1	42	-1.0	-43.96	367.03	6.61	-37.35
C=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020256931	0	43	-1.0	-40.70	340.59	7.35	-33.35
C=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020256931	1	43	-1.0	-40.68	340.65	7.37	-33.31
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256932	0	47	-1.0	-42.99	372.52	9.46	-33.53
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256932	1	47	-1.0	-42.98	372.54	9.45	-33.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(Cl)C=C2Cl)CC1	REAL300020256933	0	42	-1.0	-43.56	371.70	7.11	-36.45
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(Cl)C=C2Cl)CC1	REAL300020256933	1	42	-1.0	-43.57	371.75	7.13	-36.44
CCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=N1	REAL300020256934	0	40	-1.0	-47.16	340.06	9.27	-37.89
CCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=N1	REAL300020256934	1	40	-1.0	-47.22	340.00	9.29	-37.93
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020256935	0	41	-1.0	-41.31	333.56	7.29	-34.02
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020256935	1	41	-1.0	-41.32	333.62	7.31	-34.01
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020256936	0	45	-1.0	-43.75	365.49	9.40	-34.35
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020256936	1	45	-1.0	-43.75	365.52	9.39	-34.36
CC[N@@H+]1CCCC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C1C1=CN(C)N=C1	REAL300020256937	0	58	0.0	-66.66	436.25	8.45	-58.21
CC[N@H+]1CCCC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C1C1=CN(C)N=C1	REAL300020256937	1	58	0.0	-66.64	431.42	8.21	-58.43
CC[N@@H+]1CCCC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C1C1=CN(C)N=C1	REAL300020256937	1	58	0.0	-66.65	436.19	8.43	-58.22
CC[N@H+]1CCCC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C1C1=CN(C)N=C1	REAL300020256937	1	58	0.0	-66.63	431.36	8.19	-58.44
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC(C)(C)CC(C)(C)C1	REAL300020256938	0	54	-1.0	-41.13	388.62	8.35	-32.78
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC(C)(C)CC(C)(C)C1	REAL300020256938	1	54	-1.0	-41.14	388.68	8.36	-32.78
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC(C)(C)CC(C)(C)C1	REAL300020256939	0	51	-1.0	-43.35	367.13	7.55	-35.80
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC(C)(C)CC(C)(C)C1	REAL300020256939	1	51	-1.0	-43.30	367.18	7.58	-35.72
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CC(C)(C)CC(C)(C)C1	REAL300020256940	0	58	-1.0	-43.31	423.53	10.67	-32.64
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CC(C)(C)CC(C)(C)C1	REAL300020256940	1	58	-1.0	-43.34	423.56	10.68	-32.66
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC(C)(C)C)CC1	REAL300020256941	0	57	-1.0	-44.42	436.49	9.60	-34.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC(C)(C)C)CC1	REAL300020256941	1	57	-1.0	-44.44	436.55	9.61	-34.83
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC(C)(C)C)CC1	REAL300020256942	0	54	-1.0	-45.13	422.13	8.79	-36.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC(C)(C)C)CC1	REAL300020256942	1	54	-1.0	-45.14	422.19	8.82	-36.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1	REAL300020256943	0	53	-1.0	-43.23	412.64	6.28	-36.95
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1	REAL300020256943	1	53	-1.0	-43.25	412.70	6.29	-36.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1	REAL300020256944	0	50	-1.0	-46.23	388.11	5.40	-40.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1	REAL300020256944	1	50	-1.0	-46.19	388.17	5.43	-40.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020256945	0	51	-1.0	-40.11	367.48	8.14	-31.97
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020256945	1	51	-1.0	-40.09	367.54	8.16	-31.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020256946	0	48	-1.0	-43.42	339.10	8.23	-35.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020256946	1	48	-1.0	-43.45	339.16	8.25	-35.20
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020256947	0	55	-1.0	-42.66	391.52	11.09	-31.57
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020256947	1	55	-1.0	-42.63	391.54	11.08	-31.55
CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256948	0	49	-1.0	-43.55	356.34	7.68	-35.87
CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256948	1	49	-1.0	-43.56	356.40	7.69	-35.87
CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256949	0	46	-1.0	-46.02	335.10	7.00	-39.02
CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256949	1	46	-1.0	-46.03	335.04	6.98	-39.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020256950	0	42	-1.0	-50.96	346.58	5.06	-45.90
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020256950	1	42	-1.0	-50.93	346.53	5.04	-45.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020256951	0	39	-1.0	-54.55	325.07	4.27	-50.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020256951	1	39	-1.0	-54.56	325.02	4.25	-50.31
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020256952	0	46	-1.0	-52.90	376.17	7.03	-45.87
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020256952	1	46	-1.0	-52.93	376.12	7.05	-45.88
CCOC(=O)C1(F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC12CCC2	REAL300020256953	0	49	-1.0	-43.00	398.19	7.75	-35.25
CCOC(=O)C1(F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC12CCC2	REAL300020256953	1	49	-1.0	-43.02	398.25	7.77	-35.25
CCOC(=O)C1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC12CCC2	REAL300020256954	0	46	-1.0	-46.07	376.69	6.96	-39.11
CCOC(=O)C1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC12CCC2	REAL300020256954	1	46	-1.0	-46.08	376.75	6.98	-39.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020256955	0	49	-1.0	-41.46	346.29	6.54	-34.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020256955	1	49	-1.0	-41.51	346.34	6.56	-34.95
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020256956	0	46	-1.0	-43.72	326.91	5.87	-37.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020256956	1	46	-1.0	-43.71	326.85	5.85	-37.86
CN(CC(=O)N(C)C1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256957	0	52	-1.0	-41.32	405.71	7.06	-34.26
CN(CC(=O)N(C)C1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256957	1	52	-1.0	-41.35	405.77	7.07	-34.28
CN(CC(=O)N(C)C1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256958	0	49	-1.0	-45.28	377.69	6.52	-38.76
CN(CC(=O)N(C)C1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256958	1	49	-1.0	-45.27	377.75	6.54	-38.73
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020256959	0	50	-1.0	-42.49	391.00	6.05	-36.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020256959	1	50	-1.0	-42.49	391.06	6.06	-36.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020256960	0	47	-1.0	-44.37	369.44	5.47	-38.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020256960	1	47	-1.0	-44.36	369.50	5.49	-38.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C(=O)OC(C)(C)C)C1	REAL300020256961	0	52	-1.0	-47.79	408.16	9.41	-38.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C(=O)OC(C)(C)C)C1	REAL300020256961	1	52	-1.0	-47.85	408.22	9.43	-38.42
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020256962	0	40	-1.0	-43.95	327.14	6.48	-37.47
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020256962	1	40	-1.0	-43.96	327.19	6.49	-37.47
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020256963	0	44	-1.0	-46.85	359.06	8.59	-38.26
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020256963	1	44	-1.0	-46.75	359.08	8.58	-38.17
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020256964	0	49	-1.0	-39.52	367.42	8.11	-31.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020256964	1	49	-1.0	-39.51	367.48	8.12	-31.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020256965	0	46	-1.0	-41.80	347.24	7.38	-34.42
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020256965	1	46	-1.0	-41.82	347.30	7.41	-34.41
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020256966	0	53	-1.0	-42.49	392.67	10.69	-31.80
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020256966	1	53	-1.0	-42.45	392.70	10.67	-31.78
CCC(C)N(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020256967	0	45	-1.0	-42.00	354.81	8.02	-33.98
CCC(C)N(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020256967	1	45	-1.0	-41.94	354.86	8.00	-33.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020256968	0	47	-1.0	-40.89	343.24	7.42	-33.47
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020256968	1	47	-1.0	-40.88	343.30	7.44	-33.44
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020256969	0	44	-1.0	-43.57	321.75	6.64	-36.93
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020256969	1	44	-1.0	-43.59	321.80	6.66	-36.93
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020256970	0	51	-1.0	-43.00	377.14	9.57	-33.43
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020256970	1	51	-1.0	-42.95	377.15	9.56	-33.39
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020256971	0	42	-1.0	-46.46	336.05	3.69	-42.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020256971	1	42	-1.0	-46.50	336.11	3.71	-42.79
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020256972	0	39	-1.0	-45.75	314.31	3.27	-42.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020256972	1	39	-1.0	-45.75	314.25	3.25	-42.50
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020256973	0	46	-1.0	-49.38	367.90	5.80	-43.58
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020256973	1	46	-1.0	-49.37	367.93	5.79	-43.58
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020256974	0	43	-1.0	-41.25	354.44	7.20	-34.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020256974	1	43	-1.0	-41.23	354.50	7.21	-34.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020256975	0	40	-1.0	-43.21	333.48	6.18	-37.03
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020256975	1	40	-1.0	-43.20	333.54	6.21	-36.99
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020256976	0	47	-1.0	-42.98	387.08	9.12	-33.86
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020256976	1	47	-1.0	-42.97	387.14	9.10	-33.87
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020256977	0	44	-1.0	-40.73	346.60	5.76	-34.97
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020256977	1	44	-1.0	-40.75	346.66	5.78	-34.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020256978	0	41	-1.0	-42.57	326.21	4.97	-37.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020256978	1	41	-1.0	-42.57	326.27	4.99	-37.58
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020256979	0	48	-1.0	-42.61	379.43	7.82	-34.79
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020256979	1	48	-1.0	-42.60	379.48	7.80	-34.80
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020256980	0	47	-1.0	-42.06	380.36	7.65	-34.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020256980	1	47	-1.0	-42.05	380.41	7.67	-34.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020256981	0	44	-1.0	-45.62	351.71	7.10	-38.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020256981	1	44	-1.0	-45.62	351.77	7.13	-38.49
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(NC(=O)C(F)(F)F)C=C2C1	REAL300020256982	0	41	-1.0	-45.30	365.62	5.18	-40.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(NC(=O)C(F)(F)F)C=C2C1	REAL300020256982	1	41	-1.0	-45.32	365.68	5.20	-40.12
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(CC3=CC=CC=C3)C(=O)[C@@H]2C1	REAL300020256983	0	47	-1.0	-49.20	391.81	6.78	-42.42
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(CC3=CC=CC=C3)C(=O)[C@@H]2C1	REAL300020256983	1	47	-1.0	-49.24	391.87	6.81	-42.43
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC(C(C)(C)C)C1	REAL300020256984	0	48	-1.0	-41.42	365.89	7.74	-33.68
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC(C(C)(C)C)C1	REAL300020256984	1	48	-1.0	-41.43	365.95	7.76	-33.67
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC(C(C)(C)C)C1	REAL300020256985	0	45	-1.0	-45.04	345.34	6.99	-38.05
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC(C(C)(C)C)C1	REAL300020256985	1	45	-1.0	-45.05	345.40	7.02	-38.03
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CC(C(C)(C)C)C1	REAL300020256986	0	52	-1.0	-43.63	397.74	9.88	-33.75
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CC(C(C)(C)C)C1	REAL300020256986	1	52	-1.0	-43.59	397.77	9.87	-33.72
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCN(CC3=CC=CC=C3)[C@H]2C1	REAL300020256987	0	53	-1.0	-44.94	413.45	5.95	-38.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCN(CC3=CC=CC=C3)[C@H]2C1	REAL300020256987	1	53	-1.0	-44.93	413.51	5.97	-38.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCN(CC3=CC=CC=C3)[C@H]2C1	REAL300020256988	0	50	-1.0	-42.45	389.30	5.10	-37.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCN(CC3=CC=CC=C3)[C@H]2C1	REAL300020256988	1	50	-1.0	-42.43	389.35	5.13	-37.30
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1	REAL300020256989	0	42	-1.0	-47.33	362.03	2.87	-44.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1	REAL300020256989	1	42	-1.0	-47.34	362.08	2.89	-44.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1	REAL300020256990	0	39	-1.0	-48.93	345.62	1.94	-46.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1	REAL300020256990	1	39	-1.0	-48.93	345.68	1.96	-46.97
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1COC(C)(C)C1	REAL300020256991	0	53	-1.0	-42.17	413.86	7.10	-35.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1COC(C)(C)C1	REAL300020256991	1	53	-1.0	-42.14	413.92	7.11	-35.03
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1COC(C)(C)C1	REAL300020256992	0	50	-1.0	-44.25	391.56	6.27	-37.98
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1COC(C)(C)C1	REAL300020256992	1	50	-1.0	-44.23	391.61	6.30	-37.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020256993	0	43	-1.0	-46.97	372.53	6.18	-40.79
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020256993	1	43	-1.0	-46.97	372.59	6.19	-40.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020256994	0	40	-1.0	-46.45	341.56	4.71	-41.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020256994	1	40	-1.0	-46.44	341.62	4.74	-41.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(CNC(=O)OC(C)(C)C)C2	REAL300020256995	0	54	-1.0	-42.42	419.66	4.91	-37.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(CNC(=O)OC(C)(C)C)C2	REAL300020256995	1	54	-1.0	-42.43	419.71	4.92	-37.51
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(CNC(=O)OC(C)(C)C)C2	REAL300020256996	0	51	-1.0	-52.21	403.81	4.58	-47.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(CNC(=O)OC(C)(C)C)C2	REAL300020256996	1	51	-1.0	-52.20	403.86	4.61	-47.59
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@@H](C)O1	REAL300020256997	0	43	-1.0	-44.13	356.75	5.25	-38.88
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H](C)O1	REAL300020256997	1	43	-1.0	-44.12	356.81	5.26	-38.86
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@@H](C)O1	REAL300020256998	0	40	-1.0	-45.59	334.23	4.63	-40.96
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H](C)O1	REAL300020256998	1	40	-1.0	-45.60	334.28	4.66	-40.94
COC(=O)[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@@H](C)O1	REAL300020256999	0	47	-1.0	-46.96	383.81	7.50	-39.46
COC(=O)[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H](C)O1	REAL300020256999	1	47	-1.0	-46.89	383.85	7.50	-39.39
CCC1(CC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257000	0	48	-1.0	-41.14	352.02	7.83	-33.31
CCC1(CC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257000	1	48	-1.0	-41.18	352.08	7.85	-33.33
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257001	0	45	-1.0	-43.90	336.56	6.95	-36.95
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257001	1	45	-1.0	-43.88	336.62	6.97	-36.91
CCC1(CC)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257002	0	52	-1.0	-43.37	384.10	9.98	-33.39
CCC1(CC)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257002	1	52	-1.0	-43.38	384.14	9.97	-33.41
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCN1S(C)(=O)=O	REAL300020257003	0	44	-1.0	-44.42	359.29	2.29	-42.13
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCN1S(C)(=O)=O	REAL300020257003	1	44	-1.0	-44.43	359.35	2.30	-42.13
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCN1S(C)(=O)=O	REAL300020257004	0	41	-1.0	-45.93	329.90	1.72	-44.21
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1S(C)(=O)=O	REAL300020257004	1	41	-1.0	-45.97	329.95	1.74	-44.23
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020257005	0	43	-1.0	-44.75	353.53	6.15	-38.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020257005	1	43	-1.0	-44.73	353.47	6.13	-38.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020257006	0	40	-1.0	-45.41	332.04	5.38	-40.03
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020257006	1	40	-1.0	-45.40	331.98	5.35	-40.05
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020257007	0	47	-1.0	-47.48	382.72	8.20	-39.28
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020257007	1	47	-1.0	-47.51	382.68	8.19	-39.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020257008	0	42	-1.0	-42.89	333.83	6.90	-35.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020257008	1	42	-1.0	-42.87	333.88	6.92	-35.95
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CCF)C1	REAL300020257009	0	46	-1.0	-44.15	369.01	8.94	-35.21
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CCF)C1	REAL300020257009	1	46	-1.0	-44.16	369.07	8.93	-35.23
COCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257010	0	49	-1.0	-42.34	381.28	6.60	-35.74
COCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257010	1	49	-1.0	-42.31	381.34	6.62	-35.69
COCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257011	0	46	-1.0	-43.64	366.94	5.80	-37.84
COCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257011	1	46	-1.0	-43.60	366.99	5.82	-37.78
COCCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257012	0	53	-1.0	-43.56	420.01	8.50	-35.06
COCCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257012	1	53	-1.0	-43.49	420.07	8.48	-35.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020257013	0	41	-1.0	-42.95	327.58	4.17	-38.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020257013	1	41	-1.0	-42.94	327.63	4.18	-38.76
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020257014	0	45	-1.0	-46.00	355.69	6.26	-39.74
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020257014	1	45	-1.0	-45.97	355.70	6.25	-39.72
COC1=CC=CC(C2(C)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=C1	REAL300020257015	0	50	-1.0	-43.94	394.24	7.77	-36.17
COC1=CC=CC(C2(C)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=C1	REAL300020257015	1	50	-1.0	-43.91	394.30	7.79	-36.12
COC1=CC=CC(C2(C)CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=C1	REAL300020257016	0	47	-1.0	-47.96	368.91	6.88	-41.08
COC1=CC=CC(C2(C)CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=C1	REAL300020257016	1	47	-1.0	-47.96	368.97	6.90	-41.06
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H](C)O1	REAL300020257017	0	43	-1.0	-40.11	336.29	5.52	-34.59
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H](C)O1	REAL300020257017	1	43	-1.0	-40.15	336.34	5.53	-34.62
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H](C)O1	REAL300020257018	0	47	-1.0	-42.07	372.31	7.37	-34.70
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H](C)O1	REAL300020257018	1	47	-1.0	-42.10	372.35	7.36	-34.74
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020257019	0	58	0.0	-61.73	430.56	10.14	-51.59
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020257019	1	58	0.0	-61.42	430.83	9.87	-51.55
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020257019	1	58	0.0	-61.74	430.62	10.15	-51.59
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020257019	1	58	0.0	-61.43	430.89	9.88	-51.55
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020257020	0	55	0.0	-60.43	402.98	9.28	-51.15
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020257020	1	55	0.0	-59.76	410.40	9.11	-50.65
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020257020	1	55	0.0	-60.37	403.03	9.31	-51.06
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020257020	1	55	0.0	-59.77	410.45	9.13	-50.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)C3=CC=CC=C3O2)C1	REAL300020257021	0	50	-1.0	-45.86	393.50	7.50	-38.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)C3=CC=CC=C3O2)C1	REAL300020257021	1	50	-1.0	-45.88	393.56	7.51	-38.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)C3=CC=CC=C3O2)C1	REAL300020257022	0	47	-1.0	-45.07	381.69	7.23	-37.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)C3=CC=CC=C3O2)C1	REAL300020257022	1	47	-1.0	-45.05	381.75	7.25	-37.80
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(Br)S2)C1	REAL300020257023	0	37	-1.0	-42.70	337.58	6.38	-36.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(Br)S2)C1	REAL300020257023	1	37	-1.0	-42.64	337.63	6.40	-36.24
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(Br)S2)C1	REAL300020257024	0	34	-1.0	-42.24	316.83	6.75	-35.49
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(Br)S2)C1	REAL300020257024	1	34	-1.0	-42.25	316.88	6.78	-35.47
CCCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257025	0	45	-1.0	-41.90	368.68	8.33	-33.57
CCCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257025	1	45	-1.0	-41.92	368.74	8.34	-33.58
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257026	0	42	-1.0	-43.73	348.23	7.72	-36.01
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257026	1	42	-1.0	-43.77	348.17	7.70	-36.07
CCCN(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257027	0	49	-1.0	-43.86	396.90	10.75	-33.11
CCCN(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257027	1	49	-1.0	-43.85	396.93	10.76	-33.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020257028	0	39	-1.0	-42.56	307.82	6.49	-36.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020257028	1	39	-1.0	-42.57	307.87	6.50	-36.07
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)CC1	REAL300020257029	0	43	-1.0	-44.54	339.97	8.57	-35.97
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)CC1	REAL300020257029	1	43	-1.0	-44.48	340.02	8.56	-35.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020257030	0	46	-1.0	-46.71	379.81	1.52	-45.19
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020257030	1	46	-1.0	-46.69	379.76	1.50	-45.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020257031	0	43	-1.0	-47.33	358.32	0.73	-46.60
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020257031	1	43	-1.0	-47.37	358.26	0.71	-46.66
CC(C)C1=NC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=CS1	REAL300020257032	0	44	-1.0	-43.50	370.62	6.20	-37.30
CC(C)C1=NC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=CS1	REAL300020257032	1	44	-1.0	-43.52	370.68	6.21	-37.31
CC(C)C1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=CS1	REAL300020257033	0	41	-1.0	-47.91	350.07	5.45	-42.46
CC(C)C1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=CS1	REAL300020257033	1	41	-1.0	-47.87	350.13	5.47	-42.40
CC(C)C1=NC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=CS1	REAL300020257034	0	48	-1.0	-42.89	408.72	8.10	-34.79
CC(C)C1=NC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=CS1	REAL300020257034	1	48	-1.0	-42.89	408.76	8.09	-34.80
CN(CC1=CN(C)N=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257035	0	38	-1.0	-48.85	319.95	3.60	-45.25
CN(CC1=CN(C)N=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257035	1	38	-1.0	-48.84	320.01	3.61	-45.23
CN(CC1=CN(C)N=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257036	0	42	-1.0	-48.20	358.05	5.50	-42.70
CN(CC1=CN(C)N=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257036	1	42	-1.0	-48.17	358.09	5.49	-42.68
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257037	0	45	-1.0	-40.38	352.46	6.23	-34.15
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257037	1	45	-1.0	-40.40	352.51	6.24	-34.16
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257038	0	49	-1.0	-42.30	383.46	8.28	-34.02
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257038	1	49	-1.0	-42.27	383.51	8.28	-33.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020257039	0	50	-1.0	-41.20	377.19	7.20	-34.00
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020257039	1	50	-1.0	-41.19	377.24	7.22	-33.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020257040	0	47	-1.0	-42.49	363.36	6.19	-36.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020257040	1	47	-1.0	-42.45	363.42	6.21	-36.24
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020257041	0	54	-1.0	-41.88	415.89	9.09	-32.79
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020257041	1	54	-1.0	-41.84	415.95	9.08	-32.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020257042	0	50	-1.0	-43.79	378.64	7.11	-36.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020257042	1	50	-1.0	-43.78	378.70	7.12	-36.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020257043	0	47	-1.0	-45.63	357.16	6.32	-39.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020257043	1	47	-1.0	-45.63	357.22	6.34	-39.29
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020257044	0	54	-1.0	-44.97	413.05	9.13	-35.84
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020257044	1	54	-1.0	-44.93	413.08	9.12	-35.81
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020257045	0	42	-1.0	-44.47	343.58	5.47	-39.00
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020257045	1	42	-1.0	-44.46	343.63	5.46	-39.00
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257046	0	43	-1.0	-51.09	343.25	4.48	-46.61
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257046	1	43	-1.0	-51.05	343.31	4.50	-46.55
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257047	0	40	-1.0	-58.51	316.47	3.23	-55.28
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257047	1	40	-1.0	-58.51	316.41	3.20	-55.31
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257048	0	47	-1.0	-52.69	374.44	6.54	-46.15
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257048	1	47	-1.0	-52.69	374.48	6.53	-46.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020257049	0	38	-1.0	-41.43	308.91	6.90	-34.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020257049	1	38	-1.0	-41.48	308.97	6.91	-34.57
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020257050	0	42	-1.0	-43.95	342.68	8.98	-34.97
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020257050	1	42	-1.0	-43.91	342.72	8.97	-34.94
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C[C@H]21	REAL300020257051	0	44	-1.0	-48.96	361.45	1.33	-47.63
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C[C@H]21	REAL300020257051	1	44	-1.0	-48.99	361.51	1.34	-47.65
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)C[C@H]21	REAL300020257052	0	41	-1.0	-50.92	345.08	0.63	-50.29
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)C[C@H]21	REAL300020257052	1	41	-1.0	-50.94	345.13	0.66	-50.28
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C[C@H]12	REAL300020257053	0	44	-1.0	-49.40	364.38	1.59	-47.81
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C[C@H]12	REAL300020257053	1	44	-1.0	-49.42	364.44	1.61	-47.81
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)C[C@H]12	REAL300020257054	0	41	-1.0	-51.50	338.86	0.68	-50.82
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)C[C@H]12	REAL300020257054	1	41	-1.0	-51.53	338.92	0.71	-50.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020257055	0	45	-1.0	-45.85	373.97	3.75	-42.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020257055	1	45	-1.0	-45.85	374.02	3.77	-42.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020257056	0	42	-1.0	-48.21	352.34	2.94	-45.27
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020257056	1	42	-1.0	-48.25	352.39	2.97	-45.28
CNC(=O)NCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020257057	0	46	-1.0	-48.55	381.64	0.84	-47.71
CNC(=O)NCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020257057	1	46	-1.0	-48.58	381.70	0.85	-47.73
CNC(=O)NCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020257058	0	43	-1.0	-51.34	353.33	0.00	-51.34
CNC(=O)NCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020257058	1	43	-1.0	-51.35	353.39	0.02	-51.33
CNC(=O)NCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020257059	0	50	-1.0	-50.90	410.87	2.91	-47.99
CNC(=O)NCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020257059	1	50	-1.0	-50.85	410.92	2.90	-47.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020257060	0	44	-1.0	-41.34	353.39	6.45	-34.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020257060	1	44	-1.0	-41.33	353.45	6.46	-34.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020257061	0	41	-1.0	-43.00	338.81	5.47	-37.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020257061	1	41	-1.0	-42.98	338.75	5.44	-37.54
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C(N)=O)O1	REAL300020257062	0	41	-1.0	-47.42	331.81	1.69	-45.73
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C(N)=O)O1	REAL300020257062	1	41	-1.0	-47.45	331.87	1.71	-45.74
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C(N)=O)O1	REAL300020257063	0	38	-1.0	-46.78	309.32	0.87	-45.91
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C(N)=O)O1	REAL300020257063	1	38	-1.0	-46.79	309.38	0.90	-45.89
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(C(N)=O)O1	REAL300020257064	0	45	-1.0	-48.66	364.88	3.74	-44.92
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(C(N)=O)O1	REAL300020257064	1	45	-1.0	-48.66	364.91	3.73	-44.93
CC1=NOC(C23CC(C2)CN3C2=NN=C(CCC3=N[N-]N=N3)N2C)=N1	REAL300020257065	0	42	-1.0	-47.55	347.19	4.76	-42.79
CC1=NOC(C23CC(C2)CN3C2=NN=C(CCC3=NN=N[N-]3)N2C)=N1	REAL300020257065	1	42	-1.0	-47.52	347.25	4.78	-42.74
CC1=NOC(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2C)=N1	REAL300020257066	0	39	-1.0	-45.92	329.86	3.12	-42.80
CC1=NOC(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2C)=N1	REAL300020257066	1	39	-1.0	-45.89	329.92	3.14	-42.75
CC1=NOC(C23CC(C2)CN3C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=N1	REAL300020257067	0	46	-1.0	-45.66	383.16	5.93	-39.73
CC1=NOC(C23CC(C2)CN3C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=N1	REAL300020257067	1	46	-1.0	-45.60	383.20	5.91	-39.69
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCC1C(=O)OC(C)(C)C	REAL300020257068	0	54	-1.0	-42.17	413.00	8.61	-33.56
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCC1C(=O)OC(C)(C)C	REAL300020257068	1	54	-1.0	-42.17	413.05	8.63	-33.54
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCC1C(=O)OC(C)(C)C	REAL300020257069	0	51	-1.0	-41.94	394.11	7.87	-34.07
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCC1C(=O)OC(C)(C)C	REAL300020257069	1	51	-1.0	-42.05	394.17	7.90	-34.15
CC1C(C(F)(F)F)OCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257070	0	40	-1.0	-41.94	336.17	3.93	-38.01
CC1C(C(F)(F)F)OCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257070	1	40	-1.0	-41.91	336.22	3.94	-37.97
CC1C(C(F)(F)F)OCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257071	0	37	-1.0	-44.39	314.01	3.07	-41.32
CC1C(C(F)(F)F)OCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257071	1	37	-1.0	-44.40	314.07	3.09	-41.31
CC1C(C(F)(F)F)OCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257072	0	44	-1.0	-43.05	358.55	5.34	-37.71
CC1C(C(F)(F)F)OCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257072	1	44	-1.0	-42.93	358.59	5.33	-37.60
COC(=O)C1=CN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)S1	REAL300020257073	0	45	-1.0	-45.64	387.61	6.21	-39.43
COC(=O)C1=CN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)S1	REAL300020257073	1	45	-1.0	-45.64	387.67	6.23	-39.41
COC(=O)C1(OC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257074	0	43	-1.0	-44.45	351.73	4.49	-39.96
COC(=O)C1(OC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257074	1	43	-1.0	-44.49	351.78	4.51	-39.98
COC(=O)C1(OC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257075	0	40	-1.0	-47.96	326.37	3.59	-44.37
COC(=O)C1(OC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257075	1	40	-1.0	-47.95	326.42	3.62	-44.33
COC(=O)C1(OC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257076	0	47	-1.0	-46.88	382.24	6.56	-40.32
COC(=O)C1(OC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257076	1	47	-1.0	-46.85	382.26	6.55	-40.30
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020257077	0	46	-1.0	-41.89	376.68	9.50	-32.39
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020257077	1	46	-1.0	-41.91	376.73	9.51	-32.40
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020257078	0	43	-1.0	-52.05	355.68	7.05	-45.00
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020257078	1	43	-1.0	-52.08	355.62	7.02	-45.06
COC(=O)N(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257079	0	43	-1.0	-46.76	361.32	4.29	-42.47
COC(=O)N(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257079	1	43	-1.0	-46.72	361.37	4.30	-42.42
COC(=O)N(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257080	0	40	-1.0	-47.37	340.84	3.55	-43.82
COC(=O)N(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257080	1	40	-1.0	-47.40	340.90	3.57	-43.83
COC(=O)N(C)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257081	0	47	-1.0	-48.30	393.50	6.40	-41.90
COC(=O)N(C)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257081	1	47	-1.0	-48.24	393.54	6.39	-41.85
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020257082	0	46	-1.0	-44.39	366.58	1.01	-43.38
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020257082	1	46	-1.0	-44.37	366.64	1.02	-43.35
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020257083	0	43	-1.0	-45.33	344.03	0.19	-45.14
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020257083	1	43	-1.0	-45.31	344.08	0.22	-45.09
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020257084	0	50	-1.0	-47.17	393.17	3.05	-44.12
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020257084	1	50	-1.0	-47.14	393.23	3.04	-44.10
CN(CC1(C)COC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257085	0	44	-1.0	-44.30	350.25	6.53	-37.77
CN(CC1(C)COC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257085	1	44	-1.0	-44.35	350.30	6.52	-37.83
CCC(CC)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257086	0	50	-1.0	-39.59	387.85	8.03	-31.56
CCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257086	1	50	-1.0	-39.58	387.91	8.04	-31.54
CCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257087	0	47	-1.0	-41.41	366.96	7.33	-34.08
CCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257087	1	47	-1.0	-41.40	367.02	7.35	-34.05
CCC(CC)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257088	0	54	-1.0	-42.50	411.50	10.22	-32.28
CCC(CC)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257088	1	54	-1.0	-42.46	411.55	10.21	-32.25
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020257089	0	46	-1.0	-40.21	361.69	8.06	-32.15
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020257089	1	46	-1.0	-40.23	361.75	8.08	-32.15
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020257090	0	43	-1.0	-44.32	334.25	7.33	-36.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020257090	1	43	-1.0	-44.32	334.30	7.36	-36.96
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020257091	0	50	-1.0	-43.26	386.47	10.19	-33.07
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020257091	1	50	-1.0	-43.26	386.51	10.17	-33.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020257092	0	42	-1.0	-43.85	347.30	6.04	-37.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020257092	1	42	-1.0	-43.80	347.36	6.05	-37.75
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020257093	0	39	-1.0	-45.63	325.80	5.24	-40.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020257093	1	39	-1.0	-45.62	325.86	5.27	-40.35
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020257094	0	46	-1.0	-46.37	374.35	8.31	-38.06
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020257094	1	46	-1.0	-46.35	374.40	8.30	-38.05
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020257095	0	38	-1.0	-42.94	318.26	3.67	-39.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020257095	1	38	-1.0	-42.94	318.32	3.68	-39.26
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020257096	0	42	-1.0	-45.04	350.57	5.76	-39.28
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020257096	1	42	-1.0	-45.05	350.63	5.74	-39.31
CCCCC(CC)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257097	0	56	-1.0	-39.42	431.32	9.58	-29.84
CCCCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257097	1	56	-1.0	-39.43	431.38	9.59	-29.84
CCCCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257098	0	53	-1.0	-41.33	409.97	8.87	-32.46
CCCCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257098	1	53	-1.0	-41.39	410.02	8.90	-32.49
CCCCC(CC)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257099	0	60	-1.0	-41.63	462.43	11.70	-29.93
CCCCC(CC)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257099	1	60	-1.0	-41.59	462.47	11.68	-29.91
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C)(C(F)F)O1	REAL300020257100	0	43	-1.0	-43.18	348.77	5.61	-37.57
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C)(C(F)F)O1	REAL300020257100	1	43	-1.0	-43.17	348.83	5.62	-37.55
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C)(C(F)F)O1	REAL300020257101	0	40	-1.0	-44.93	331.31	4.36	-40.57
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C)(C(F)F)O1	REAL300020257101	1	40	-1.0	-45.00	331.37	4.38	-40.62
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(C)(C(F)F)O1	REAL300020257102	0	47	-1.0	-46.93	379.13	7.68	-39.25
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(C)(C(F)F)O1	REAL300020257102	1	47	-1.0	-46.90	379.18	7.66	-39.24
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020257103	0	51	-1.0	-44.85	399.73	8.65	-36.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020257103	1	51	-1.0	-44.83	399.79	8.66	-36.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020257104	0	48	-1.0	-47.77	378.21	7.87	-39.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020257104	1	48	-1.0	-47.71	378.27	7.89	-39.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020257105	0	47	-1.0	-48.17	376.62	6.24	-41.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020257105	1	47	-1.0	-48.16	376.67	6.25	-41.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020257106	0	44	-1.0	-47.36	344.55	4.88	-42.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020257106	1	44	-1.0	-47.35	344.61	4.91	-42.44
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020257107	0	51	-1.0	-50.10	407.75	8.31	-41.79
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020257107	1	51	-1.0	-50.09	407.81	8.30	-41.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020257108	0	47	-1.0	-48.17	376.62	6.24	-41.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020257108	1	47	-1.0	-48.16	376.67	6.25	-41.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020257109	0	44	-1.0	-47.36	344.55	4.88	-42.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020257109	1	44	-1.0	-47.35	344.61	4.91	-42.44
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020257110	0	51	-1.0	-50.10	407.75	8.31	-41.79
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020257110	1	51	-1.0	-50.09	407.81	8.30	-41.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020257111	0	53	-1.0	-46.77	413.47	4.78	-41.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020257111	1	53	-1.0	-46.78	413.53	4.79	-41.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020257112	0	50	-1.0	-44.69	401.24	4.25	-40.44
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020257112	1	50	-1.0	-44.68	401.29	4.28	-40.40
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257113	0	40	-1.0	-42.43	331.04	7.48	-34.95
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257113	1	40	-1.0	-42.43	331.10	7.47	-34.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020257114	0	44	-1.0	-42.31	358.29	7.11	-35.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020257114	1	44	-1.0	-42.28	358.35	7.13	-35.15
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020257115	0	41	-1.0	-46.02	337.91	6.35	-39.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020257115	1	41	-1.0	-46.03	337.96	6.38	-39.65
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020257116	0	48	-1.0	-44.97	390.82	9.25	-35.72
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020257116	1	48	-1.0	-44.96	390.85	9.24	-35.72
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020257117	0	40	-1.0	-43.31	333.39	4.64	-38.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020257117	1	40	-1.0	-43.35	333.45	4.65	-38.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020257118	0	37	-1.0	-41.40	311.99	3.85	-37.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020257118	1	37	-1.0	-41.39	312.05	3.88	-37.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020257119	0	44	-1.0	-42.96	364.46	6.76	-36.20
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020257119	1	44	-1.0	-42.94	364.52	6.74	-36.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020257120	0	54	-1.0	-42.69	410.96	8.47	-34.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020257120	1	54	-1.0	-42.71	411.01	8.49	-34.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020257121	0	51	-1.0	-45.80	389.33	7.68	-38.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020257121	1	51	-1.0	-45.84	389.39	7.71	-38.13
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020257122	0	40	-1.0	-41.27	344.27	4.94	-36.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020257122	1	40	-1.0	-41.27	344.33	4.96	-36.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020257123	0	37	-1.0	-42.47	321.71	4.14	-38.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020257123	1	37	-1.0	-42.44	321.76	4.16	-38.28
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020257124	0	44	-1.0	-43.80	375.09	7.02	-36.78
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020257124	1	44	-1.0	-43.82	375.13	7.01	-36.81
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(CC(F)(F)F)O1	REAL300020257125	0	43	-1.0	-40.95	365.49	5.68	-35.27
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(CC(F)(F)F)O1	REAL300020257125	1	43	-1.0	-40.95	365.55	5.70	-35.25
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(CC(F)(F)F)O1	REAL300020257126	0	40	-1.0	-41.74	338.77	5.32	-36.42
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(CC(F)(F)F)O1	REAL300020257126	1	40	-1.0	-41.76	338.82	5.34	-36.42
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020257127	0	48	-1.0	-45.17	375.46	7.27	-37.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020257127	1	48	-1.0	-45.20	375.52	7.29	-37.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020257128	0	45	-1.0	-46.26	353.96	6.49	-39.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020257128	1	45	-1.0	-46.31	354.02	6.51	-39.80
CCC(CC)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257129	0	52	-1.0	-45.53	400.84	6.70	-38.83
CCC(CC)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257129	1	52	-1.0	-45.51	400.90	6.71	-38.80
CCC(CC)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257130	0	49	-1.0	-46.11	379.55	6.18	-39.93
CCC(CC)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257130	1	49	-1.0	-46.10	379.61	6.21	-39.89
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020257131	0	42	-1.0	-44.33	337.90	5.70	-38.63
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020257131	1	42	-1.0	-44.30	337.98	5.68	-38.62
CCCCCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257132	0	51	-1.0	-41.16	393.43	8.40	-32.76
CCCCCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257132	1	51	-1.0	-41.19	393.49	8.42	-32.77
CCCCCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257133	0	48	-1.0	-43.07	368.62	8.03	-35.04
CCCCCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257133	1	48	-1.0	-43.08	368.68	8.06	-35.02
CCCCCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257134	0	55	-1.0	-43.13	423.73	10.82	-32.31
CCCCCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257134	1	55	-1.0	-43.09	423.76	10.82	-32.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020257135	0	49	-1.0	-41.05	374.84	8.45	-32.60
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020257135	1	49	-1.0	-41.08	374.89	8.46	-32.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020257136	0	46	-1.0	-43.32	355.72	6.78	-36.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020257136	1	46	-1.0	-43.31	355.77	6.80	-36.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1CC1CCC1	REAL300020257137	0	53	-1.0	-43.05	407.49	9.72	-33.33
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1CC1CCC1	REAL300020257137	1	53	-1.0	-42.97	407.53	9.71	-33.26
CC(C)C1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=N1	REAL300020257138	0	47	-1.0	-42.43	379.11	6.78	-35.65
CC(C)C1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=N1	REAL300020257138	1	47	-1.0	-42.40	379.17	6.79	-35.61
CC(C)C1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=N1	REAL300020257139	0	44	-1.0	-44.84	357.61	5.99	-38.85
CC(C)C1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=N1	REAL300020257139	1	44	-1.0	-44.85	357.67	6.02	-38.83
CC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C(C)=C1	REAL300020257140	0	51	-1.0	-41.16	401.94	8.46	-32.70
CC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C(C)=C1	REAL300020257140	1	51	-1.0	-41.12	401.99	8.47	-32.65
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C(C)=C1	REAL300020257141	0	48	-1.0	-43.07	379.35	7.64	-35.43
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C(C)=C1	REAL300020257141	1	48	-1.0	-43.09	379.41	7.66	-35.43
CCOC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)N=N1	REAL300020257142	0	50	-1.0	-46.57	403.72	3.78	-42.79
CCOC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)N=N1	REAL300020257142	1	50	-1.0	-46.53	403.66	3.77	-42.76
CCOC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)N=N1	REAL300020257143	0	47	-1.0	-46.62	381.12	2.97	-43.65
CCOC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)N=N1	REAL300020257143	1	47	-1.0	-46.59	381.07	2.95	-43.64
CN1C=CC=C1C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257144	0	48	-1.0	-47.57	380.84	6.55	-41.02
CN1C=CC=C1C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257144	1	48	-1.0	-47.60	380.89	6.57	-41.03
CN1C=CC=C1C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257145	0	45	-1.0	-49.78	359.22	5.77	-44.01
CN1C=CC=C1C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257145	1	45	-1.0	-49.80	359.28	5.79	-44.01
COC1=CC=CC=C1C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257146	0	51	-1.0	-50.94	408.26	6.81	-44.13
COC1=CC=CC=C1C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257146	1	51	-1.0	-50.95	408.31	6.83	-44.12
COC1=CC=CC=C1C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257147	0	48	-1.0	-53.01	388.14	6.00	-47.01
COC1=CC=CC=C1C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257147	1	48	-1.0	-53.00	388.20	6.03	-46.97
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020257148	0	41	-1.0	-43.26	328.69	8.42	-34.84
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020257148	1	41	-1.0	-43.18	328.71	8.41	-34.77
CCC1=NOC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020257149	0	50	-1.0	-45.37	399.85	6.18	-39.19
CCC1=NOC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020257149	1	50	-1.0	-45.39	399.90	6.20	-39.19
CCC1=NOC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020257150	0	47	-1.0	-48.04	378.35	5.39	-42.65
CCC1=NOC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020257150	1	47	-1.0	-48.06	378.41	5.41	-42.65
CN1N=CC=C1CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257151	0	49	-1.0	-46.07	385.55	7.24	-38.83
CN1N=CC=C1CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257151	1	49	-1.0	-46.04	385.61	7.25	-38.79
CN1N=CC=C1CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257152	0	46	-1.0	-47.95	365.14	6.48	-41.47
CN1N=CC=C1CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257152	1	46	-1.0	-47.96	365.20	6.50	-41.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Br)=C2C1	REAL300020257153	0	37	-1.0	-40.69	328.84	5.21	-35.48
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Br)=C2C1	REAL300020257153	1	37	-1.0	-40.67	328.90	5.22	-35.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Br)=C2C1	REAL300020257154	0	34	-1.0	-42.35	307.35	4.43	-37.92
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Br)=C2C1	REAL300020257154	1	34	-1.0	-42.34	307.40	4.46	-37.88
CCN(CC1=CN(CC)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257155	0	45	-1.0	-43.15	363.59	5.59	-37.56
CCN(CC1=CN(CC)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257155	1	45	-1.0	-43.16	363.53	5.57	-37.59
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257156	0	42	-1.0	-45.22	343.03	4.84	-40.38
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257156	1	42	-1.0	-45.26	342.98	4.81	-40.45
CCN(CC1=CN(CC)N=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257157	0	49	-1.0	-45.14	405.37	7.85	-37.29
CCN(CC1=CN(CC)N=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257157	1	49	-1.0	-45.14	405.30	7.86	-37.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(Br)=C2C1	REAL300020257158	0	37	-1.0	-46.76	327.71	6.19	-40.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(Br)=C2C1	REAL300020257158	1	37	-1.0	-46.78	327.77	6.21	-40.57
CC1=NN=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)S1	REAL300020257159	0	37	-1.0	-43.48	330.27	3.71	-39.77
CC1=NN=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)S1	REAL300020257159	1	37	-1.0	-43.48	330.33	3.72	-39.76
CC1=NN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)S1	REAL300020257160	0	34	-1.0	-44.09	309.79	2.98	-41.11
CC1=NN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)S1	REAL300020257160	1	34	-1.0	-44.13	309.85	3.01	-41.12
CC1=NN=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)S1	REAL300020257161	0	41	-1.0	-45.31	356.54	6.22	-39.09
CC1=NN=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)S1	REAL300020257161	1	41	-1.0	-45.20	356.57	6.21	-38.99
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020257162	0	41	-1.0	-43.10	331.57	7.38	-35.72
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020257162	1	41	-1.0	-43.08	331.61	7.38	-35.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020257163	0	42	-1.0	-40.89	340.44	3.17	-37.72
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020257163	1	42	-1.0	-40.87	340.50	3.19	-37.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020257164	0	39	-1.0	-42.65	318.89	2.42	-40.23
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020257164	1	39	-1.0	-42.62	318.83	2.39	-40.23
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020257165	0	46	-1.0	-43.78	371.97	5.40	-38.38
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020257165	1	46	-1.0	-43.78	372.00	5.39	-38.39
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020257166	0	47	-1.0	-41.84	379.63	7.99	-33.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020257166	1	47	-1.0	-41.84	379.69	8.00	-33.84
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020257167	0	44	-1.0	-45.02	359.22	7.23	-37.79
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020257167	1	44	-1.0	-45.03	359.28	7.25	-37.78
CN(CC1=CCSC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257168	0	38	-1.0	-42.19	323.27	6.56	-35.63
CN(CC1=CCSC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257168	1	38	-1.0	-42.16	323.32	6.58	-35.58
CN(CC1=CCSC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257169	0	42	-1.0	-44.03	353.80	8.60	-35.43
CN(CC1=CCSC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257169	1	42	-1.0	-44.07	353.83	8.59	-35.48
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020257170	0	41	-1.0	-41.77	319.56	4.23	-37.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020257170	1	41	-1.0	-41.71	319.61	4.24	-37.47
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020257171	0	45	-1.0	-44.28	350.48	6.33	-37.95
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020257171	1	45	-1.0	-44.26	350.51	6.32	-37.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020257172	0	46	-1.0	-41.09	366.02	7.77	-33.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020257172	1	46	-1.0	-41.11	366.08	7.79	-33.32
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020257173	0	43	-1.0	-42.84	344.38	7.84	-35.00
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020257173	1	43	-1.0	-42.86	344.44	7.87	-34.99
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020257174	0	50	-1.0	-43.78	395.68	10.02	-33.76
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020257174	1	50	-1.0	-43.78	395.72	10.00	-33.78
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257175	0	46	-1.0	-41.89	359.78	5.83	-36.06
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257175	1	46	-1.0	-41.89	359.84	5.84	-36.05
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257176	0	43	-1.0	-44.86	339.38	5.07	-39.79
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257176	1	43	-1.0	-44.86	339.44	5.09	-39.77
COCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257177	0	50	-1.0	-42.82	398.51	7.72	-35.10
COCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257177	1	50	-1.0	-42.78	398.58	7.70	-35.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C3CCCC3)=NO2)CC1	REAL300020257178	0	54	-1.0	-47.96	422.20	7.06	-40.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C3CCCC3)=NO2)CC1	REAL300020257178	1	54	-1.0	-47.98	422.26	7.08	-40.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020257179	0	42	-1.0	-45.88	351.00	4.53	-41.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020257179	1	42	-1.0	-45.85	350.94	4.52	-41.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020257180	0	39	-1.0	-49.87	324.10	4.01	-45.86
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020257180	1	39	-1.0	-49.90	324.05	3.98	-45.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020257181	0	46	-1.0	-49.63	376.49	6.86	-42.77
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020257181	1	46	-1.0	-49.65	376.45	6.87	-42.78
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1Br	REAL300020257182	0	40	-1.0	-42.53	348.46	7.74	-34.79
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1Br	REAL300020257182	1	40	-1.0	-42.55	348.51	7.76	-34.79
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1Br	REAL300020257183	0	37	-1.0	-43.17	330.99	6.72	-36.45
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1Br	REAL300020257183	1	37	-1.0	-43.19	331.05	6.74	-36.45
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=C(F)C=C2)CC1	REAL300020257184	0	50	-1.0	-42.58	407.71	8.60	-33.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=C(F)C=C2)CC1	REAL300020257184	1	50	-1.0	-42.56	407.77	8.62	-33.94
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=C(F)C=C2)CC1	REAL300020257185	0	47	-1.0	-45.80	387.30	7.84	-37.96
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=C(F)C=C2)CC1	REAL300020257185	1	47	-1.0	-45.81	387.35	7.87	-37.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300020257186	0	46	-1.0	-44.83	377.82	9.07	-35.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300020257186	1	46	-1.0	-44.89	377.88	9.09	-35.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300020257187	0	43	-1.0	-43.58	362.92	8.04	-35.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300020257187	1	43	-1.0	-43.64	362.98	8.06	-35.58
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020257188	0	45	-1.0	-49.77	357.09	5.36	-44.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020257188	1	45	-1.0	-49.80	357.15	5.37	-44.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020257189	0	42	-1.0	-49.72	335.60	4.56	-45.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020257189	1	42	-1.0	-49.74	335.65	4.59	-45.15
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020257190	0	49	-1.0	-49.75	395.83	7.24	-42.51
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020257190	1	49	-1.0	-49.76	395.89	7.22	-42.54
CCCCCCC(CC)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257191	0	56	-1.0	-39.50	428.74	9.96	-29.54
CCCCCCC(CC)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257191	1	56	-1.0	-39.53	428.80	9.98	-29.55
CCCCCCC(CC)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257192	0	53	-1.0	-41.46	410.43	9.56	-31.90
CCCCCCC(CC)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257192	1	53	-1.0	-41.44	410.49	9.58	-31.86
CCCCCCC(CC)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257193	0	60	-1.0	-43.73	460.50	13.75	-29.98
CCCCCCC(CC)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257193	1	60	-1.0	-43.70	460.54	13.74	-29.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2C(N)=O)CC1	REAL300020257194	0	46	-1.0	-50.04	377.45	3.80	-46.24
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2C(N)=O)CC1	REAL300020257194	1	46	-1.0	-50.02	377.51	3.83	-46.19
C#CCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257195	0	41	-1.0	-42.83	340.85	4.25	-38.58
C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257195	1	41	-1.0	-42.80	340.90	4.26	-38.54
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257196	0	45	-1.0	-46.15	371.72	7.91	-38.24
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257196	1	45	-1.0	-46.13	371.74	7.91	-38.22
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257197	0	40	-1.0	-41.42	334.50	7.10	-34.32
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257197	1	40	-1.0	-41.41	334.56	7.12	-34.29
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257198	0	44	-1.0	-44.18	361.74	9.45	-34.73
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257198	1	44	-1.0	-44.17	361.80	9.44	-34.73
CC1COC2(CCCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257199	0	47	-1.0	-40.87	364.90	5.37	-35.50
CC1COC2(CCCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257199	1	47	-1.0	-40.88	364.95	5.39	-35.49
CC1COC2(CCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257200	0	44	-1.0	-43.10	344.29	4.62	-38.48
CC1COC2(CCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257200	1	44	-1.0	-43.12	344.35	4.65	-38.47
CC1COC2(CCCC2)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257201	0	51	-1.0	-42.78	396.70	7.41	-35.37
CC1COC2(CCCC2)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257201	1	51	-1.0	-42.77	396.74	7.39	-35.38
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020257202	0	52	-1.0	-41.09	384.60	9.10	-31.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020257202	1	52	-1.0	-41.11	384.65	9.12	-31.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020257203	0	49	-1.0	-44.43	364.09	8.34	-36.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020257203	1	49	-1.0	-44.45	364.15	8.37	-36.08
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020257204	0	56	-1.0	-43.29	416.52	11.21	-32.08
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020257204	1	56	-1.0	-43.29	416.54	11.20	-32.09
CC(C)CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257205	0	48	-1.0	-44.10	396.71	8.77	-35.33
CC(C)CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257205	1	48	-1.0	-44.10	396.77	8.79	-35.31
CC(C)CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257206	0	45	-1.0	-48.59	376.71	8.01	-40.58
CC(C)CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257206	1	45	-1.0	-48.57	376.76	8.03	-40.54
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257207	0	46	-1.0	-42.37	365.64	9.04	-33.33
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257207	1	46	-1.0	-42.37	365.70	9.06	-33.31
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257208	0	43	-1.0	-44.31	339.31	8.08	-36.23
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257208	1	43	-1.0	-44.29	339.25	8.06	-36.23
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257209	0	50	-1.0	-45.56	393.87	10.84	-34.72
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257209	1	50	-1.0	-45.53	393.91	10.83	-34.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020257210	0	44	-1.0	-42.49	355.67	8.17	-34.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020257210	1	44	-1.0	-42.52	355.73	8.19	-34.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020257211	0	41	-1.0	-46.30	334.27	7.41	-38.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020257211	1	41	-1.0	-46.32	334.21	7.39	-38.93
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020257212	0	48	-1.0	-45.56	385.20	10.20	-35.36
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020257212	1	48	-1.0	-45.47	385.25	10.18	-35.29
COC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257213	0	44	-1.0	-45.29	357.66	3.29	-42.00
COC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257213	1	44	-1.0	-45.29	357.72	3.30	-41.99
COC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257214	0	41	-1.0	-48.81	337.25	2.53	-46.28
COC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257214	1	41	-1.0	-48.83	337.31	2.55	-46.28
COC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257215	0	48	-1.0	-47.29	396.39	5.18	-42.11
COC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257215	1	48	-1.0	-47.26	396.45	5.16	-42.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020257216	0	48	-1.0	-41.62	368.35	7.33	-34.29
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020257216	1	48	-1.0	-41.61	368.41	7.35	-34.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020257217	0	45	-1.0	-42.41	352.58	6.39	-36.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020257217	1	45	-1.0	-42.44	352.64	6.41	-36.03
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020257218	0	52	-1.0	-42.96	403.14	9.25	-33.71
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020257218	1	52	-1.0	-42.94	403.17	9.24	-33.70
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257219	0	48	-1.0	-42.81	384.60	5.11	-37.70
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257219	1	48	-1.0	-42.78	384.66	5.13	-37.65
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257220	0	45	-1.0	-44.86	364.06	4.37	-40.49
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257220	1	45	-1.0	-44.89	364.11	4.39	-40.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020257221	0	42	-1.0	-41.68	326.93	4.92	-36.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020257221	1	42	-1.0	-41.68	326.98	4.94	-36.74
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020257222	0	39	-1.0	-44.43	305.41	4.13	-40.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020257222	1	39	-1.0	-44.47	305.47	4.15	-40.32
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C3COCC3C2C1	REAL300020257223	0	46	-1.0	-43.83	359.36	7.01	-36.82
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C3COCC3C2C1	REAL300020257223	1	46	-1.0	-43.89	359.03	7.01	-36.88
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020257224	0	44	-1.0	-48.32	354.86	4.41	-43.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020257224	1	44	-1.0	-48.32	354.92	4.42	-43.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020257225	0	41	-1.0	-50.20	331.32	2.56	-47.64
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020257225	1	41	-1.0	-50.18	331.26	2.53	-47.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC2(NC(=O)OC(C)(C)C)C1	REAL300020257226	0	54	-1.0	-51.39	411.11	4.84	-46.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC2(NC(=O)OC(C)(C)C)C1	REAL300020257226	1	54	-1.0	-51.39	411.16	4.86	-46.53
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020257227	0	45	-2.0	-81.81	384.59	3.67	-78.14
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1NC(=O)C(F)(F)F	REAL300020257227	1	46	-1.0	-45.94	381.92	5.38	-40.56
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@@H]1NC(=O)C(F)(F)F	REAL300020257227	1	46	-1.0	-45.98	381.86	5.36	-40.62
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020257227	1	45	-2.0	-81.79	384.65	3.68	-78.11
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020257228	0	42	-2.0	-96.15	357.56	3.16	-92.99
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@@H]1NC(=O)C(F)(F)F	REAL300020257228	1	43	-1.0	-46.28	367.51	4.54	-41.74
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020257228	1	42	-2.0	-96.09	357.61	3.19	-92.90
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1NC(=O)C(F)(F)F	REAL300020257228	1	43	-1.0	-46.25	367.57	4.56	-41.69
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020257229	0	48	-1.0	-41.62	355.63	5.61	-36.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020257229	1	48	-1.0	-41.64	355.69	5.63	-36.01
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020257230	0	45	-1.0	-45.58	333.14	4.79	-40.79
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020257230	1	45	-1.0	-45.59	333.19	4.81	-40.78
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020257231	0	52	-1.0	-43.80	386.64	7.68	-36.12
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020257231	1	52	-1.0	-43.80	386.68	7.67	-36.13
CN(CC1CC1(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257232	0	46	-1.0	-41.60	375.14	8.79	-32.81
CN(CC1CC1(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257232	1	46	-1.0	-41.64	375.20	8.78	-32.86
COC(=O)C1=CN=C(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)S1	REAL300020257233	0	45	-1.0	-47.05	394.75	6.19	-40.86
COC(=O)C1=CN=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)S1	REAL300020257233	1	45	-1.0	-47.07	394.80	6.22	-40.85
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020257234	0	44	-1.0	-41.57	325.88	2.51	-39.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020257234	1	44	-1.0	-41.58	325.94	2.53	-39.05
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020257235	0	41	-1.0	-43.37	320.34	2.87	-40.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020257235	1	41	-1.0	-43.40	320.40	2.90	-40.50
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020257236	0	48	-1.0	-44.06	355.96	4.62	-39.44
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020257236	1	48	-1.0	-44.03	356.00	4.61	-39.42
CCN(CCOC1=CC=CC=C1OC)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257237	0	50	-1.0	-44.05	404.23	7.32	-36.73
CCN(CCOC1=CC=CC=C1OC)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257237	1	50	-1.0	-44.07	404.28	7.33	-36.74
CCN(CCOC1=CC=CC=C1OC)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257238	0	47	-1.0	-45.22	382.73	6.52	-38.70
CCN(CCOC1=CC=CC=C1OC)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257238	1	47	-1.0	-45.25	382.78	6.55	-38.70
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CCC3=N[N-]N=N3)N2C)O1	REAL300020257239	0	42	-1.0	-49.17	348.76	1.03	-48.14
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CCC3=NN=N[N-]3)N2C)O1	REAL300020257239	1	42	-1.0	-49.18	348.82	1.05	-48.13
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2C)O1	REAL300020257240	0	39	-1.0	-50.31	328.30	0.27	-50.04
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2C)O1	REAL300020257240	1	39	-1.0	-50.33	328.36	0.30	-50.03
CC1=NN=C(C23CC(C2)CN3C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)O1	REAL300020257241	0	46	-1.0	-51.36	381.10	3.23	-48.13
CC1=NN=C(C23CC(C2)CN3C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)O1	REAL300020257241	1	46	-1.0	-51.37	381.13	3.22	-48.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020257242	0	52	0.0	-66.27	406.27	6.75	-59.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020257242	1	52	0.0	-66.25	406.32	6.76	-59.49
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020257243	0	49	0.0	-68.90	383.72	5.92	-62.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020257243	1	49	0.0	-68.96	383.78	5.95	-63.01
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020257244	0	56	0.0	-69.62	437.73	8.62	-61.00
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020257244	1	56	0.0	-69.59	437.77	8.61	-60.98
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020257245	0	44	-1.0	-43.00	341.84	9.27	-33.73
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020257245	1	44	-1.0	-42.95	341.87	9.26	-33.69
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257246	0	49	-1.0	-49.17	394.48	5.07	-44.10
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257246	1	49	-1.0	-49.19	394.54	5.08	-44.11
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257247	0	46	-1.0	-50.72	372.99	4.28	-46.44
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257247	1	46	-1.0	-50.72	373.05	4.31	-46.41
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257248	0	53	-1.0	-51.08	425.31	7.14	-43.94
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257248	1	53	-1.0	-51.06	425.36	7.13	-43.93
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257249	0	49	-1.0	-48.57	384.21	4.76	-43.81
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257249	1	49	-1.0	-48.63	384.27	4.78	-43.85
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257250	0	46	-1.0	-53.94	372.45	4.47	-49.47
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257250	1	46	-1.0	-53.91	372.50	4.50	-49.41
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257251	0	53	-1.0	-48.90	416.58	6.84	-42.06
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257251	1	53	-1.0	-48.93	416.61	6.82	-42.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020257252	0	38	-1.0	-42.68	315.91	3.95	-38.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020257252	1	38	-1.0	-42.70	315.97	3.96	-38.74
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020257253	0	42	-1.0	-49.14	343.89	4.69	-44.45
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020257253	1	42	-1.0	-49.15	343.94	4.68	-44.47
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300020257254	0	49	-1.0	-44.65	395.51	8.87	-35.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300020257254	1	49	-1.0	-44.70	395.57	8.88	-35.82
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300020257255	0	46	-1.0	-47.75	374.03	8.07	-39.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300020257255	1	46	-1.0	-47.76	374.08	8.10	-39.66
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257256	0	40	-1.0	-40.95	327.72	6.22	-34.73
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257256	1	40	-1.0	-40.96	327.78	6.24	-34.72
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257257	0	44	-1.0	-44.14	362.07	9.45	-34.69
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257257	1	44	-1.0	-44.16	362.06	9.43	-34.73
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@@H]1C	REAL300020257258	0	45	-1.0	-41.33	359.65	6.59	-34.74
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020257258	1	45	-1.0	-41.33	359.71	6.61	-34.72
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@@H]1C	REAL300020257259	0	42	-1.0	-46.35	332.51	6.09	-40.26
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020257259	1	42	-1.0	-46.37	332.56	6.11	-40.26
COC(=O)[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@@H]1C	REAL300020257260	0	49	-1.0	-43.26	392.39	8.66	-34.60
COC(=O)[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1C	REAL300020257260	1	49	-1.0	-43.29	392.45	8.65	-34.64
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257261	0	48	-1.0	-48.06	356.61	4.02	-44.04
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257261	1	48	-1.0	-48.09	356.67	4.03	-44.06
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257262	0	45	-1.0	-48.57	336.80	3.28	-45.29
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257262	1	45	-1.0	-48.56	336.85	3.30	-45.26
CN(C)C(=O)N(C)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257263	0	52	-1.0	-47.38	396.19	6.95	-40.43
CN(C)C(=O)N(C)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257263	1	52	-1.0	-47.41	396.24	6.93	-40.48
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257264	0	48	-1.0	-42.63	373.82	7.91	-34.72
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257264	1	48	-1.0	-42.63	373.88	7.92	-34.71
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257265	0	45	-1.0	-45.34	355.16	7.21	-38.13
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257265	1	45	-1.0	-45.36	355.22	7.23	-38.13
CN(CC(=O)N1CCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257266	0	43	-1.0	-41.78	352.89	4.98	-36.80
CN(CC(=O)N1CCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257266	1	43	-1.0	-41.79	352.94	4.99	-36.80
CN(CC(=O)N1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257267	0	40	-1.0	-44.39	332.42	4.22	-40.17
CN(CC(=O)N1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257267	1	40	-1.0	-44.40	332.47	4.24	-40.16
CN(CC(=O)N1CCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257268	0	47	-1.0	-43.92	384.79	7.07	-36.85
CN(CC(=O)N1CCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257268	1	47	-1.0	-43.87	384.84	7.06	-36.81
CC(C)CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257269	0	49	-1.0	-42.46	384.17	6.55	-35.91
CC(C)CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257269	1	49	-1.0	-42.45	384.22	6.56	-35.89
CC(C)CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257270	0	46	-1.0	-45.17	362.67	5.75	-39.42
CC(C)CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257270	1	46	-1.0	-45.16	362.72	5.78	-39.38
CC(C)CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257271	0	53	-1.0	-43.13	415.28	8.77	-34.36
CC(C)CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257271	1	53	-1.0	-43.08	415.33	8.75	-34.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020257272	0	46	-1.0	-52.72	360.85	3.85	-48.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020257272	1	46	-1.0	-52.70	360.91	3.86	-48.84
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020257273	0	43	-1.0	-54.59	347.07	2.84	-51.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020257273	1	43	-1.0	-54.59	347.13	2.87	-51.72
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020257274	0	50	-1.0	-54.33	392.77	5.96	-48.37
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020257274	1	50	-1.0	-54.28	392.80	5.94	-48.34
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020257275	0	44	-1.0	-52.22	360.49	1.43	-50.79
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020257275	1	44	-1.0	-52.21	360.55	1.44	-50.77
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020257276	0	41	-1.0	-53.30	339.03	0.63	-52.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020257276	1	41	-1.0	-53.31	339.08	0.66	-52.65
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020257277	0	47	-1.0	-47.50	377.54	1.19	-46.31
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020257277	1	47	-1.0	-47.54	377.60	1.20	-46.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020257278	0	44	-1.0	-47.51	363.19	0.38	-47.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020257278	1	44	-1.0	-47.53	363.25	0.41	-47.12
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020257279	0	51	-1.0	-47.84	416.28	3.08	-44.76
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020257279	1	51	-1.0	-47.75	416.34	3.06	-44.69
CC1=CC=CC(C(=O)NC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020257280	0	53	-1.0	-47.89	423.92	7.62	-40.27
CC1=CC=CC(C(=O)NC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020257280	1	53	-1.0	-47.87	423.98	7.64	-40.23
CC1=CC=CC(C(=O)NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020257281	0	50	-1.0	-48.90	403.52	6.87	-42.03
CC1=CC=CC(C(=O)NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020257281	1	50	-1.0	-48.89	403.57	6.89	-42.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020257282	0	39	-1.0	-42.30	324.34	6.41	-35.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020257282	1	39	-1.0	-42.30	324.39	6.42	-35.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020257283	0	36	-1.0	-44.92	303.79	5.65	-39.27
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020257283	1	36	-1.0	-44.93	303.85	5.67	-39.26
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020257284	0	43	-1.0	-45.08	356.53	8.52	-36.56
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020257284	1	43	-1.0	-45.05	356.56	8.49	-36.56
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)CC1	REAL300020257285	0	43	-1.0	-45.01	346.72	8.15	-36.86
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)CC1	REAL300020257285	1	43	-1.0	-45.00	346.74	8.14	-36.86
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257286	0	45	-1.0	-40.30	350.97	8.61	-31.69
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257286	1	45	-1.0	-40.28	351.03	8.62	-31.66
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257287	0	42	-1.0	-44.21	329.87	7.72	-36.49
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257287	1	42	-1.0	-44.19	329.81	7.69	-36.50
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257288	0	49	-1.0	-43.33	382.48	10.58	-32.75
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257288	1	49	-1.0	-43.30	382.51	10.57	-32.73
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257289	0	45	-1.0	-43.21	355.43	8.31	-34.90
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257289	1	45	-1.0	-43.25	355.49	8.32	-34.93
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257290	0	42	-1.0	-46.88	333.93	7.54	-39.34
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257290	1	42	-1.0	-46.86	333.89	7.52	-39.34
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257291	0	49	-1.0	-42.40	391.07	9.77	-32.63
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257291	1	49	-1.0	-42.42	391.11	9.76	-32.66
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020257292	0	43	-1.0	-41.85	329.56	6.75	-35.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020257292	1	43	-1.0	-41.88	329.62	6.76	-35.12
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020257293	0	47	-1.0	-44.25	362.38	8.86	-35.39
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020257293	1	47	-1.0	-44.26	362.41	8.84	-35.42
CC=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257294	0	46	-1.0	-41.19	362.21	8.18	-33.01
CC=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257294	1	46	-1.0	-41.16	362.27	8.19	-32.97
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257295	0	43	-1.0	-44.29	340.67	7.40	-36.89
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257295	1	43	-1.0	-44.29	340.73	7.43	-36.86
CC=CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257296	0	50	-1.0	-43.34	393.07	10.26	-33.08
CC=CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257296	1	50	-1.0	-43.27	393.11	10.26	-33.01
CC1=CC=C(C(=O)NC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020257297	0	53	-1.0	-47.57	423.92	7.64	-39.93
CC1=CC=C(C(=O)NC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020257297	1	53	-1.0	-47.56	423.98	7.65	-39.91
CC1=CC=C(C(=O)NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020257298	0	50	-1.0	-48.73	403.52	6.88	-41.85
CC1=CC=C(C(=O)NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020257298	1	50	-1.0	-48.73	403.58	6.90	-41.83
COC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=C1F	REAL300020257299	0	47	-1.0	-44.86	380.96	7.41	-37.45
COC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=C1F	REAL300020257299	1	47	-1.0	-44.87	381.02	7.43	-37.44
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=C1F	REAL300020257300	0	44	-1.0	-47.38	359.44	6.62	-40.76
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=C1F	REAL300020257300	1	44	-1.0	-47.38	359.50	6.64	-40.74
CNS(=O)(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257301	0	47	-1.0	-49.61	377.28	1.84	-47.77
CNS(=O)(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257301	1	47	-1.0	-49.57	377.34	1.85	-47.72
CNS(=O)(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257302	0	44	-1.0	-50.41	360.47	1.64	-48.77
CNS(=O)(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257302	1	44	-1.0	-50.44	360.52	1.67	-48.77
COCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020257303	0	44	-1.0	-41.10	354.95	3.77	-37.33
COCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020257303	1	44	-1.0	-41.08	355.01	3.78	-37.30
COCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020257304	0	41	-1.0	-42.85	333.45	2.98	-39.87
COCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020257304	1	41	-1.0	-42.86	333.51	3.01	-39.85
COCC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020257305	0	48	-1.0	-43.37	385.92	5.88	-37.49
COCC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020257305	1	48	-1.0	-43.37	385.98	5.86	-37.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020257306	0	44	-1.0	-47.68	364.00	8.63	-39.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020257306	1	44	-1.0	-47.67	364.05	8.65	-39.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020257307	0	41	-1.0	-51.08	342.56	7.87	-43.21
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020257307	1	41	-1.0	-51.05	342.50	7.85	-43.20
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020257308	0	48	-1.0	-49.66	395.11	10.74	-38.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020257308	1	48	-1.0	-49.68	394.91	10.72	-38.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC3=CC=CC=C3N2)CC1	REAL300020257309	0	52	-1.0	-44.08	414.34	6.61	-37.47
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC3=CC=CC=C3N2)CC1	REAL300020257309	1	52	-1.0	-44.10	414.40	6.62	-37.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC3=CC=CC=C3N2)CC1	REAL300020257310	0	49	-1.0	-46.14	392.85	5.82	-40.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC3=CC=CC=C3N2)CC1	REAL300020257310	1	49	-1.0	-46.17	392.90	5.85	-40.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020257311	0	41	-1.0	-46.84	336.94	1.50	-45.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020257311	1	41	-1.0	-46.84	337.00	1.52	-45.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020257312	0	38	-1.0	-47.95	314.36	0.67	-47.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020257312	1	38	-1.0	-47.93	314.42	0.70	-47.23
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020257313	0	45	-1.0	-49.28	367.82	3.58	-45.70
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020257313	1	45	-1.0	-49.22	367.85	3.57	-45.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Br)=C2C1	REAL300020257314	0	37	-1.0	-43.50	335.72	7.17	-36.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Br)=C2C1	REAL300020257314	1	37	-1.0	-43.50	335.78	7.19	-36.31
CCC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020257315	0	52	-1.0	-41.06	406.86	10.39	-30.67
CCC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020257315	1	52	-1.0	-41.08	406.92	10.40	-30.68
CCC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020257316	0	49	-1.0	-42.16	392.52	9.58	-32.58
CCC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020257316	1	49	-1.0	-42.13	392.58	9.61	-32.52
CCC1([NH+]2CCOCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257317	0	56	0.0	-66.99	394.63	6.15	-60.84
CCC1(N2CCOCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257317	1	55	-1.0	-40.78	391.30	4.09	-36.69
CCC1([NH+]2CCOCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257318	0	53	0.0	-69.35	366.95	5.23	-64.12
CCC1([NH+]2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257318	1	53	0.0	-69.37	367.01	5.25	-64.12
CN(CC(=O)NC1=CC=C2OCCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257319	0	49	-1.0	-44.73	408.50	4.60	-40.13
CN(CC(=O)NC1=CC=C2OCCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257319	1	49	-1.0	-44.73	408.56	4.62	-40.11
CN(CC(=O)NC1=CC=C2OCCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257320	0	46	-1.0	-48.99	386.67	3.88	-45.11
CN(CC(=O)NC1=CC=C2OCCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257320	1	46	-1.0	-48.95	386.73	3.90	-45.05
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020257321	0	43	-1.0	-44.88	345.44	10.23	-34.65
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020257321	1	43	-1.0	-44.90	345.49	10.24	-34.66
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020257322	0	40	-1.0	-47.74	323.95	9.46	-38.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020257322	1	40	-1.0	-47.71	323.89	9.43	-38.28
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020257323	0	47	-1.0	-47.11	376.38	12.31	-34.80
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020257323	1	47	-1.0	-47.13	376.42	12.30	-34.83
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020257324	0	47	-1.0	-41.49	354.73	7.69	-33.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020257324	1	47	-1.0	-41.47	354.78	7.71	-33.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020257325	0	44	-1.0	-43.82	333.22	6.91	-36.91
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020257325	1	44	-1.0	-43.81	333.28	6.93	-36.88
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020257326	0	51	-1.0	-43.92	385.64	9.79	-34.13
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020257326	1	51	-1.0	-43.92	385.67	9.77	-34.15
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257327	0	51	0.0	-67.43	361.03	6.68	-60.75
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257327	1	51	0.0	-67.41	361.09	6.70	-60.71
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257328	0	48	0.0	-66.83	339.50	5.89	-60.94
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257328	1	48	0.0	-66.85	339.56	5.91	-60.94
CCC1([NH+](C)C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257329	0	55	0.0	-72.28	391.59	8.78	-63.50
CCC1([NH+](C)C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257329	1	55	0.0	-72.32	391.64	8.78	-63.54
CC1CC(F)(F)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257330	0	39	-1.0	-41.38	323.48	5.14	-36.24
CC1CC(F)(F)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257330	1	39	-1.0	-41.40	323.54	5.15	-36.25
CC1CC(F)(F)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257331	0	43	-1.0	-43.93	355.62	7.29	-36.64
CC1CC(F)(F)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257331	1	43	-1.0	-43.97	355.66	7.29	-36.68
CN(CC1=CC=C(Br)C=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257332	0	39	-1.0	-40.19	344.71	7.66	-32.53
CN(CC1=CC=C(Br)C=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257332	1	39	-1.0	-40.20	344.77	7.67	-32.53
CN(CC1=CC=C(Br)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257333	0	36	-1.0	-42.00	324.16	6.91	-35.09
CN(CC1=CC=C(Br)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257333	1	36	-1.0	-41.95	324.21	6.93	-35.02
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300020257334	0	43	-1.0	-40.26	369.86	8.52	-31.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300020257334	1	43	-1.0	-40.26	369.92	8.54	-31.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300020257335	0	40	-1.0	-42.57	348.75	7.76	-34.81
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300020257335	1	40	-1.0	-42.54	348.81	7.78	-34.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300020257336	0	43	-1.0	-43.68	354.00	7.07	-36.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300020257336	1	43	-1.0	-43.69	354.05	7.09	-36.60
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300020257337	0	40	-1.0	-44.22	332.52	6.28	-37.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300020257337	1	40	-1.0	-44.22	332.57	6.30	-37.92
CC1=CC(Cl)=CC=C1C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257338	0	47	-1.0	-41.61	391.72	9.10	-32.51
CC1=CC(Cl)=CC=C1C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257338	1	47	-1.0	-41.60	391.78	9.11	-32.49
CC1=CC(Cl)=CC=C1C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257339	0	44	-1.0	-43.45	370.23	8.32	-35.13
CC1=CC(Cl)=CC=C1C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257339	1	44	-1.0	-43.49	370.29	8.34	-35.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020257340	0	41	-1.0	-42.76	335.87	4.85	-37.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020257340	1	41	-1.0	-42.73	335.92	4.86	-37.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020257341	0	38	-1.0	-44.64	312.32	2.99	-41.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020257341	1	38	-1.0	-44.63	312.26	2.96	-41.67
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020257342	0	45	-1.0	-45.10	366.98	6.96	-38.14
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020257342	1	45	-1.0	-45.13	366.78	6.93	-38.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020257343	0	52	0.0	-63.92	379.82	7.41	-56.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020257343	1	52	0.0	-63.94	379.88	7.42	-56.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020257344	0	49	0.0	-66.39	351.61	6.87	-59.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020257344	1	49	0.0	-66.39	351.67	6.89	-59.50
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020257345	0	56	0.0	-69.61	406.11	9.65	-59.96
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020257345	1	56	0.0	-69.60	406.15	9.64	-59.96
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1CNC(=O)OC(C)(C)C	REAL300020257346	0	56	-1.0	-45.96	436.18	5.50	-40.46
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1CNC(=O)OC(C)(C)C	REAL300020257346	1	56	-1.0	-45.96	436.24	5.51	-40.45
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1CNC(=O)OC(C)(C)C	REAL300020257347	0	53	-1.0	-48.53	414.68	4.71	-43.82
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1CNC(=O)OC(C)(C)C	REAL300020257347	1	53	-1.0	-48.55	414.74	4.73	-43.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020257348	0	40	-1.0	-44.55	338.51	2.72	-41.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020257348	1	40	-1.0	-44.59	338.57	2.74	-41.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020257349	0	37	-1.0	-46.67	319.85	1.99	-44.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020257349	1	37	-1.0	-46.65	319.91	2.02	-44.63
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020257350	0	44	-1.0	-47.25	372.25	4.84	-42.41
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020257350	1	44	-1.0	-47.23	372.27	4.83	-42.40
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300020257351	0	43	-1.0	-42.26	358.40	8.43	-33.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300020257351	1	43	-1.0	-42.28	358.46	8.45	-33.83
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300020257352	0	40	-1.0	-45.10	334.78	6.55	-38.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300020257352	1	40	-1.0	-45.11	334.84	6.58	-38.53
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020257353	0	45	-1.0	-43.31	376.16	6.78	-36.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020257353	1	45	-1.0	-43.31	376.21	6.80	-36.51
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020257354	0	42	-1.0	-45.73	354.65	6.00	-39.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020257354	1	42	-1.0	-45.75	354.71	6.02	-39.73
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257355	0	55	0.0	-65.46	382.91	7.93	-57.53
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257355	1	55	0.0	-65.51	382.97	7.95	-57.56
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257356	0	52	0.0	-65.84	361.31	7.15	-58.69
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257356	1	52	0.0	-65.83	361.37	7.17	-58.66
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300020257357	0	51	-1.0	-49.11	399.89	5.72	-43.39
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300020257357	1	51	-1.0	-49.16	399.94	5.73	-43.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300020257358	0	48	-1.0	-50.99	375.40	4.86	-46.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300020257358	1	48	-1.0	-50.98	375.46	4.88	-46.10
CCON1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257359	0	42	-1.0	-40.67	339.22	3.54	-37.13
CCON1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257359	1	42	-1.0	-40.68	339.28	3.56	-37.12
CCON1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257360	0	46	-1.0	-43.43	371.09	6.34	-37.09
CCON1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257360	1	46	-1.0	-43.51	371.09	6.33	-37.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020257361	0	42	-1.0	-42.16	332.70	6.92	-35.24
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020257361	1	42	-1.0	-42.15	332.76	6.93	-35.22
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCF)CC1	REAL300020257362	0	46	-1.0	-43.07	371.44	8.81	-34.26
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCF)CC1	REAL300020257362	1	46	-1.0	-42.98	371.50	8.79	-34.19
CCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020257363	0	44	-1.0	-41.24	362.17	3.84	-37.40
CCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020257363	1	44	-1.0	-41.20	362.22	3.85	-37.35
CCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020257364	0	41	-1.0	-43.19	330.13	2.72	-40.47
CCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020257364	1	41	-1.0	-43.17	330.19	2.75	-40.42
CCOCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020257365	0	48	-1.0	-44.04	390.75	6.12	-37.92
CCOCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020257365	1	48	-1.0	-44.00	390.80	6.11	-37.89
COC1=CC=CC=C1[C@@H]1C[C@H](C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257366	0	53	-1.0	-41.87	405.86	8.02	-33.85
COC1=CC=CC=C1[C@@H]1C[C@H](C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257366	1	53	-1.0	-41.88	405.92	8.03	-33.85
COC1=CC=CC=C1[C@@H]1C[C@H](C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257367	0	50	-1.0	-45.66	392.56	7.01	-38.65
COC1=CC=CC=C1[C@@H]1C[C@H](C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257367	1	50	-1.0	-45.67	392.62	7.03	-38.64
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257368	0	55	0.0	-64.43	415.19	6.42	-58.01
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257368	1	55	0.0	-64.43	415.25	6.44	-57.99
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257369	0	52	0.0	-67.91	394.70	5.54	-62.37
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257369	1	52	0.0	-67.92	394.76	5.56	-62.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020257370	0	40	-1.0	-42.48	330.97	6.55	-35.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020257370	1	40	-1.0	-42.49	331.03	6.57	-35.92
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020257371	0	37	-1.0	-44.96	313.25	6.33	-38.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020257371	1	37	-1.0	-44.93	313.31	6.35	-38.58
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020257372	0	44	-1.0	-43.12	361.00	8.57	-34.55
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020257372	1	44	-1.0	-43.08	361.04	8.56	-34.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300020257373	0	51	-1.0	-44.38	394.72	8.88	-35.50
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300020257373	1	51	-1.0	-44.37	394.78	8.90	-35.47
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300020257374	0	48	-1.0	-46.49	378.32	8.04	-38.45
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300020257374	1	48	-1.0	-46.49	378.38	8.05	-38.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020257375	0	53	0.0	-66.54	386.28	5.69	-60.85
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020257375	1	52	-1.0	-41.10	377.80	3.80	-37.30
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020257375	1	52	-1.0	-41.11	377.85	3.81	-37.30
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020257376	0	50	0.0	-68.62	358.02	5.13	-63.49
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020257376	1	50	0.0	-68.62	358.08	5.16	-63.46
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020257376	1	49	-1.0	-43.13	355.56	2.98	-40.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020257376	1	49	-1.0	-43.11	355.62	3.01	-40.10
CC(=O)NCC(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257377	0	50	-1.0	-49.39	397.78	3.89	-45.50
CC(=O)NCC(=O)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257377	1	50	-1.0	-49.38	397.84	3.91	-45.47
CC(=O)NCC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257378	0	47	-1.0	-48.14	382.93	2.53	-45.61
CC(=O)NCC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257378	1	47	-1.0	-48.20	382.99	2.54	-45.66
CSC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257379	0	40	-1.0	-40.01	334.72	6.52	-33.49
CSC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257379	1	40	-1.0	-40.06	334.77	6.54	-33.52
CSC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257380	0	44	-1.0	-43.51	360.83	8.67	-34.84
CSC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257380	1	44	-1.0	-43.42	360.87	8.65	-34.77
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020257381	0	49	-1.0	-41.03	383.01	8.17	-32.86
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020257381	1	49	-1.0	-41.04	383.07	8.19	-32.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020257382	0	46	-1.0	-43.13	361.44	7.40	-35.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020257382	1	46	-1.0	-43.11	361.50	7.43	-35.68
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCCCC1	REAL300020257383	0	51	-1.0	-40.61	380.68	10.39	-30.22
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCCCC1	REAL300020257383	1	51	-1.0	-40.60	380.74	10.40	-30.20
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCCCC1	REAL300020257384	0	48	-1.0	-41.12	362.31	9.71	-31.41
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCCCC1	REAL300020257384	1	48	-1.0	-41.15	362.38	9.72	-31.43
CC(CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCCCC1	REAL300020257385	0	55	-1.0	-42.68	412.81	12.44	-30.24
CC(CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCCCC1	REAL300020257385	1	55	-1.0	-42.64	412.84	12.44	-30.20
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020257386	0	40	-1.0	-50.00	328.91	2.16	-47.84
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020257386	1	40	-1.0	-49.99	328.97	2.17	-47.82
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020257387	0	44	-1.0	-52.61	360.62	4.30	-48.31
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020257387	1	44	-1.0	-52.56	360.65	4.30	-48.26
COCC1(C(=O)OC(C)(C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257388	0	55	-1.0	-46.89	427.53	7.44	-39.45
COCC1(C(=O)OC(C)(C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257388	1	55	-1.0	-46.86	427.59	7.46	-39.40
COCC1(C(=O)OC(C)(C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257389	0	52	-1.0	-49.16	405.03	6.62	-42.54
COCC1(C(=O)OC(C)(C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257389	1	52	-1.0	-49.19	405.09	6.65	-42.54
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257390	0	43	-1.0	-51.09	343.25	4.48	-46.61
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257390	1	43	-1.0	-51.05	343.31	4.50	-46.55
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257391	0	40	-1.0	-58.51	316.47	3.23	-55.28
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257391	1	40	-1.0	-58.51	316.41	3.20	-55.31
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257392	0	47	-1.0	-52.69	374.44	6.54	-46.15
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257392	1	47	-1.0	-52.69	374.48	6.53	-46.16
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCCC1C#N	REAL300020257393	0	40	-1.0	-45.05	324.09	6.29	-38.76
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCCC1C#N	REAL300020257393	1	40	-1.0	-45.07	324.15	6.30	-38.77
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCCC1C#N	REAL300020257394	0	44	-1.0	-45.93	353.07	8.55	-37.38
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCCC1C#N	REAL300020257394	1	44	-1.0	-45.92	353.09	8.55	-37.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC(NC(=O)OC(C)(C)C)C1	REAL300020257395	0	56	-1.0	-44.07	414.74	6.24	-37.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC(NC(=O)OC(C)(C)C)C1	REAL300020257395	1	56	-1.0	-44.12	414.79	6.26	-37.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300020257396	0	43	-1.0	-41.75	364.72	8.63	-33.12
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300020257396	1	43	-1.0	-41.74	364.78	8.65	-33.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300020257397	0	40	-1.0	-43.82	343.22	7.85	-35.97
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300020257397	1	40	-1.0	-43.82	343.28	7.87	-35.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020257398	0	47	-1.0	-48.77	380.96	4.94	-43.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020257398	1	47	-1.0	-48.79	381.02	4.95	-43.84
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020257399	0	44	-1.0	-52.33	359.47	4.16	-48.17
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020257399	1	44	-1.0	-52.33	359.52	4.19	-48.14
CC(=O)NC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020257400	0	47	-1.0	-51.31	374.06	5.35	-45.96
CC(=O)NC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020257400	1	47	-1.0	-51.25	374.12	5.36	-45.89
CC(=O)NC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020257401	0	44	-1.0	-52.78	353.83	4.63	-48.15
CC(=O)NC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020257401	1	44	-1.0	-52.75	353.77	4.61	-48.14
CC1=CC(Br)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020257402	0	40	-1.0	-43.96	342.48	6.76	-37.20
CC1=CC(Br)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020257402	1	40	-1.0	-43.92	342.54	6.79	-37.13
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020257403	0	47	-1.0	-44.63	351.67	5.15	-39.48
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020257403	1	47	-1.0	-44.66	351.73	5.16	-39.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020257404	0	44	-1.0	-46.16	337.51	4.07	-42.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020257404	1	44	-1.0	-46.17	337.57	4.09	-42.08
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020257405	0	51	-1.0	-45.78	384.81	7.01	-38.77
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020257405	1	51	-1.0	-45.76	384.84	7.00	-38.76
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020257406	0	43	-1.0	-41.80	351.57	6.43	-35.37
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020257406	1	43	-1.0	-41.80	351.63	6.44	-35.36
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020257407	0	40	-1.0	-44.79	331.06	5.70	-39.09
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020257407	1	40	-1.0	-44.82	331.03	5.68	-39.14
COC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020257408	0	47	-1.0	-44.31	383.41	8.55	-35.76
COC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020257408	1	47	-1.0	-44.30	383.45	8.55	-35.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CN=C2Cl)CC1	REAL300020257409	0	43	-1.0	-53.76	369.09	5.07	-48.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CN=C2Cl)CC1	REAL300020257409	1	43	-1.0	-53.75	369.03	5.05	-48.70
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020257410	0	42	-1.0	-44.06	335.59	6.74	-37.32
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020257410	1	42	-1.0	-44.04	335.63	6.73	-37.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C3CCC3)=NO2)CC1	REAL300020257411	0	54	-1.0	-45.31	432.62	7.23	-38.08
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C3CCC3)=NO2)CC1	REAL300020257411	1	54	-1.0	-45.34	432.68	7.25	-38.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C3CCC3)=NO2)CC1	REAL300020257412	0	51	-1.0	-47.98	404.85	6.70	-41.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C3CCC3)=NO2)CC1	REAL300020257412	1	51	-1.0	-47.95	404.91	6.72	-41.23
COCC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=N1	REAL300020257413	0	45	-1.0	-43.14	376.42	4.43	-38.71
COCC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=N1	REAL300020257413	1	45	-1.0	-43.16	376.48	4.44	-38.72
COCC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=N1	REAL300020257414	0	42	-1.0	-46.74	349.75	3.75	-42.99
COCC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=N1	REAL300020257414	1	42	-1.0	-46.77	349.81	3.78	-42.99
COC(=O)[C@@]1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@@H]1C	REAL300020257415	0	45	-1.0	-42.72	359.91	6.10	-36.62
COC(=O)[C@@]1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020257415	1	45	-1.0	-42.77	359.97	6.11	-36.66
COC(=O)[C@@]1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@@H]1C	REAL300020257416	0	42	-1.0	-45.53	341.37	5.41	-40.12
COC(=O)[C@@]1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020257416	1	42	-1.0	-45.55	341.42	5.43	-40.12
COC(=O)[C@@]1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@@H]1C	REAL300020257417	0	49	-1.0	-44.67	387.86	8.08	-36.59
COC(=O)[C@@]1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1C	REAL300020257417	1	49	-1.0	-44.69	387.90	8.08	-36.61
CN(CC1=CC=CC=C1OCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257418	0	50	-1.0	-46.82	407.03	9.94	-36.88
CN(CC1=CC=CC=C1OCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257418	1	50	-1.0	-46.82	407.10	9.97	-36.85
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020257419	0	49	0.0	-80.06	387.44	8.44	-71.62
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020257419	1	49	0.0	-80.00	387.38	8.42	-71.58
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020257420	0	46	0.0	-80.64	365.92	7.65	-72.99
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020257420	1	46	0.0	-80.62	365.86	7.63	-72.99
CCC1(C(F)(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020257421	0	43	-1.0	-42.41	347.55	5.69	-36.72
CCC1(C(F)(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020257421	1	43	-1.0	-42.40	347.61	5.71	-36.69
CCC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020257422	0	40	-1.0	-44.22	326.05	4.91	-39.31
CCC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020257422	1	40	-1.0	-44.26	326.11	4.93	-39.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020257423	0	40	-1.0	-41.95	333.41	4.79	-37.16
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020257423	1	40	-1.0	-41.88	333.47	4.80	-37.08
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCF)C1	REAL300020257424	0	44	-1.0	-44.08	364.87	6.66	-37.42
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCF)C1	REAL300020257424	1	44	-1.0	-44.11	364.91	6.65	-37.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020257425	0	47	-1.0	-42.05	375.83	9.02	-33.03
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020257425	1	47	-1.0	-42.03	375.89	9.04	-32.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020257426	0	44	-1.0	-44.27	355.38	8.27	-36.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020257426	1	44	-1.0	-44.30	355.43	8.29	-36.01
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020257427	0	51	-1.0	-45.29	403.53	11.32	-33.97
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020257427	1	51	-1.0	-45.36	403.31	11.31	-34.05
COC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257428	0	43	-1.0	-40.85	344.65	4.18	-36.67
COC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257428	1	43	-1.0	-40.87	344.70	4.20	-36.67
COC1CCC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257429	0	47	-1.0	-42.70	375.97	6.29	-36.41
COC1CCC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257429	1	47	-1.0	-42.61	376.02	6.27	-36.34
CC1CC(N2N=NC3=C2CN(C2=NN=C(CCC4=N[N-]N=N4)N2C)CC3)C1	REAL300020257430	0	49	-1.0	-42.28	397.75	6.58	-35.70
CC1CC(N2N=NC3=C2CN(C2=NN=C(CCC4=NN=N[N-]4)N2C)CC3)C1	REAL300020257430	1	49	-1.0	-42.28	397.80	6.59	-35.69
CC1CC(N2N=NC3=C2CN(C2=NN=C(CC4=N[N-]N=N4)N2C)CC3)C1	REAL300020257431	0	46	-1.0	-43.66	376.25	5.79	-37.87
CC1CC(N2N=NC3=C2CN(C2=NN=C(CC4=NN=N[N-]4)N2C)CC3)C1	REAL300020257431	1	46	-1.0	-43.67	376.31	5.82	-37.85
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257432	0	49	-1.0	-43.57	391.09	6.68	-36.89
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257432	1	49	-1.0	-43.59	391.15	6.69	-36.90
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257433	0	46	-1.0	-51.40	369.52	5.87	-45.53
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257433	1	46	-1.0	-51.40	369.47	5.84	-45.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020257434	0	45	-1.0	-42.84	368.12	7.25	-35.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020257434	1	45	-1.0	-42.79	368.17	7.26	-35.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020257435	0	42	-1.0	-45.22	346.62	6.47	-38.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020257435	1	42	-1.0	-45.20	346.68	6.49	-38.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300020257436	0	49	-1.0	-44.42	392.12	6.60	-37.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300020257436	1	49	-1.0	-44.41	392.18	6.61	-37.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300020257437	0	46	-1.0	-46.63	369.54	5.77	-40.86
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300020257437	1	46	-1.0	-46.68	369.60	5.80	-40.88
COC1=CC=CC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020257438	0	53	-1.0	-43.26	414.75	9.01	-34.25
COC1=CC=CC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020257438	1	53	-1.0	-43.26	414.81	9.03	-34.23
COC1=CC=CC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020257439	0	50	-1.0	-45.99	399.41	8.18	-37.81
COC1=CC=CC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020257439	1	50	-1.0	-45.99	399.47	8.21	-37.78
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCS1(=O)=O	REAL300020257440	0	39	-1.0	-45.65	324.18	1.69	-43.96
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCS1(=O)=O	REAL300020257440	1	39	-1.0	-45.69	324.24	1.71	-43.98
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCS1(=O)=O	REAL300020257441	0	36	-1.0	-47.00	303.69	0.95	-46.05
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCS1(=O)=O	REAL300020257441	1	36	-1.0	-46.97	303.75	0.97	-46.00
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCS1(=O)=O	REAL300020257442	0	43	-1.0	-48.74	355.95	3.79	-44.95
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCS1(=O)=O	REAL300020257442	1	43	-1.0	-48.71	355.97	3.78	-44.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020257443	0	43	-1.0	-43.04	353.16	4.26	-38.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020257443	1	43	-1.0	-43.04	353.22	4.27	-38.77
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020257444	0	40	-1.0	-44.72	321.84	3.12	-41.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020257444	1	40	-1.0	-44.78	321.90	3.15	-41.63
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020257445	0	47	-1.0	-45.07	374.42	6.01	-39.06
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020257445	1	47	-1.0	-45.05	374.47	5.99	-39.06
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020257446	0	41	-1.0	-43.35	342.91	5.63	-37.72
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020257446	1	41	-1.0	-43.32	342.96	5.64	-37.68
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020257447	0	38	-1.0	-46.09	317.50	5.10	-40.99
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020257447	1	38	-1.0	-46.09	317.44	5.08	-41.01
COC1=CC=CC2=C1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020257448	0	45	-1.0	-45.36	373.68	7.69	-37.67
COC1=CC=CC2=C1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020257448	1	45	-1.0	-45.30	373.72	7.69	-37.61
CN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=N1	REAL300020257449	0	37	-1.0	-50.51	319.04	7.44	-43.07
CN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=N1	REAL300020257449	1	37	-1.0	-50.59	319.00	7.45	-43.14
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=C(C(F)(F)F)C=C1	REAL300020257450	0	46	-1.0	-43.32	378.37	7.90	-35.42
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=C(C(F)(F)F)C=C1	REAL300020257450	1	46	-1.0	-43.34	378.42	7.92	-35.42
CCN(CC)S(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257451	0	52	-1.0	-47.66	417.07	4.05	-43.61
CCN(CC)S(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257451	1	52	-1.0	-47.69	417.12	4.06	-43.63
CCN(CC)S(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257452	0	49	-1.0	-49.18	395.57	3.26	-45.92
CCN(CC)S(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257452	1	49	-1.0	-49.16	395.63	3.29	-45.87
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020257453	0	44	-1.0	-42.01	368.03	7.04	-34.97
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020257453	1	44	-1.0	-42.00	368.09	7.05	-34.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020257454	0	41	-1.0	-44.49	336.61	5.76	-38.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020257454	1	41	-1.0	-44.49	336.67	5.79	-38.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020257455	0	39	-1.0	-41.50	320.71	5.83	-35.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020257455	1	39	-1.0	-41.47	320.77	5.85	-35.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020257456	0	36	-1.0	-43.84	309.42	5.36	-38.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020257456	1	36	-1.0	-43.90	309.48	5.39	-38.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020257457	0	43	-1.0	-43.04	363.71	8.21	-34.83
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020257457	1	43	-1.0	-43.04	363.75	8.20	-34.84
COC1=CC=CC=C1C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020257458	0	48	-1.0	-43.48	382.79	5.81	-37.67
COC1=CC=CC=C1C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020257458	1	48	-1.0	-43.45	382.85	5.82	-37.63
COC1=CC=CC=C1C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020257459	0	45	-1.0	-45.95	370.73	5.27	-40.68
COC1=CC=CC=C1C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020257459	1	45	-1.0	-45.98	370.79	5.30	-40.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020257460	0	41	-1.0	-41.96	316.88	6.41	-35.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020257460	1	41	-1.0	-41.93	316.93	6.43	-35.50
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020257461	0	45	-1.0	-44.00	348.16	8.48	-35.52
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020257461	1	45	-1.0	-43.94	348.23	8.49	-35.45
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020257462	0	51	-1.0	-42.13	404.54	5.89	-36.24
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020257462	1	51	-1.0	-42.14	404.60	5.91	-36.23
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020257463	0	48	-1.0	-45.00	383.04	5.11	-39.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020257463	1	48	-1.0	-44.99	383.10	5.13	-39.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020257464	0	49	-1.0	-42.78	399.06	10.12	-32.66
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020257464	1	49	-1.0	-42.80	399.11	10.13	-32.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020257465	0	46	-1.0	-45.12	378.76	9.37	-35.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020257465	1	46	-1.0	-45.18	378.82	9.39	-35.79
COC1=CC=C(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCO2)C=C1	REAL300020257466	0	48	-1.0	-42.99	393.76	6.00	-36.99
COC1=CC=C(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCO2)C=C1	REAL300020257466	1	48	-1.0	-42.99	393.82	6.02	-36.97
COC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCO2)C=C1	REAL300020257467	0	45	-1.0	-45.90	371.88	5.36	-40.54
COC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCO2)C=C1	REAL300020257467	1	45	-1.0	-45.92	371.94	5.40	-40.52
CN1C(=O)[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C[C@H]2C1=O	REAL300020257468	0	40	-1.0	-47.07	331.64	3.52	-43.55
CN1C(=O)[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C[C@H]2C1=O	REAL300020257468	1	40	-1.0	-47.10	331.70	3.54	-43.56
CN1C(=O)[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)C[C@H]2C1=O	REAL300020257469	0	37	-1.0	-49.67	313.07	2.84	-46.83
CN1C(=O)[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)C[C@H]2C1=O	REAL300020257469	1	37	-1.0	-49.70	313.13	2.87	-46.83
CN1C(=O)[C@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C[C@H]2C1=O	REAL300020257470	0	44	-1.0	-49.98	366.58	5.70	-44.28
CN1C(=O)[C@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C[C@H]2C1=O	REAL300020257470	1	44	-1.0	-50.00	366.61	5.69	-44.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300020257471	0	37	-1.0	-40.85	330.77	6.36	-34.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300020257471	1	37	-1.0	-40.81	330.83	6.38	-34.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300020257472	0	34	-1.0	-42.71	309.27	5.58	-37.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300020257472	1	34	-1.0	-42.72	309.32	5.60	-37.12
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C3CCC3)=NO2)CC1	REAL300020257473	0	51	-1.0	-43.36	407.21	6.60	-36.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C3CCC3)=NO2)CC1	REAL300020257473	1	51	-1.0	-43.42	407.27	6.61	-36.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C3CCC3)=NO2)CC1	REAL300020257474	0	48	-1.0	-46.14	386.81	5.84	-40.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C3CCC3)=NO2)CC1	REAL300020257474	1	48	-1.0	-46.09	386.87	5.86	-40.23
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020257475	0	46	-1.0	-42.07	370.37	9.01	-33.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020257475	1	46	-1.0	-42.11	370.43	9.03	-33.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020257476	0	43	-1.0	-42.76	356.03	8.21	-34.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020257476	1	43	-1.0	-42.78	356.08	8.23	-34.55
CC(=O)N1CCOC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC21	REAL300020257477	0	45	-1.0	-50.82	351.53	3.32	-47.50
CC(=O)N1CCOC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC21	REAL300020257477	1	45	-1.0	-50.79	351.59	3.33	-47.46
CC(=O)N1CCOC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC21	REAL300020257478	0	42	-1.0	-54.68	330.06	2.52	-52.16
CC(=O)N1CCOC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC21	REAL300020257478	1	42	-1.0	-54.72	330.12	2.55	-52.17
CC(=O)N1CCOC2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC21	REAL300020257479	0	49	-1.0	-52.47	386.90	5.54	-46.93
CC(=O)N1CCOC2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC21	REAL300020257479	1	49	-1.0	-52.42	386.94	5.53	-46.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020257480	0	49	-1.0	-42.78	399.06	10.12	-32.66
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020257480	1	49	-1.0	-42.80	399.11	10.13	-32.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020257481	0	46	-1.0	-45.12	378.76	9.37	-35.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020257481	1	46	-1.0	-45.18	378.82	9.39	-35.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020257482	0	41	-1.0	-42.00	332.74	6.97	-35.03
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020257482	1	41	-1.0	-42.07	332.80	6.98	-35.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020257483	0	38	-1.0	-44.36	311.25	6.18	-38.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020257483	1	38	-1.0	-44.42	311.31	6.21	-38.21
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CSCC2C1	REAL300020257484	0	45	-1.0	-44.82	360.21	8.52	-36.30
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CSCC2C1	REAL300020257484	1	45	-1.0	-44.80	360.23	8.50	-36.30
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(Cl)C=C2)CC1	REAL300020257485	0	49	-1.0	-42.65	401.99	10.23	-32.42
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(Cl)C=C2)CC1	REAL300020257485	1	49	-1.0	-42.69	402.05	10.25	-32.44
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(Cl)C=C2)CC1	REAL300020257486	0	46	-1.0	-45.02	380.50	9.44	-35.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(Cl)C=C2)CC1	REAL300020257486	1	46	-1.0	-45.03	380.55	9.46	-35.57
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257487	0	42	-1.0	-39.78	354.45	8.56	-31.22
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257487	1	42	-1.0	-39.76	354.51	8.58	-31.18
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257488	0	39	-1.0	-41.17	333.06	7.79	-33.38
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257488	1	39	-1.0	-41.18	333.00	7.77	-33.41
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257489	0	46	-1.0	-42.32	381.83	10.62	-31.70
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257489	1	46	-1.0	-42.32	381.88	10.62	-31.70
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257490	0	46	-1.0	-42.68	363.92	6.83	-35.85
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257490	1	46	-1.0	-42.68	363.97	6.85	-35.83
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257491	0	43	-1.0	-45.37	340.48	5.95	-39.42
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257491	1	43	-1.0	-45.35	340.42	5.92	-39.43
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257492	0	50	-1.0	-44.43	395.44	8.94	-35.49
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257492	1	50	-1.0	-44.40	395.50	8.93	-35.47
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020257493	0	46	0.0	-70.32	341.44	6.12	-64.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020257493	1	46	0.0	-66.52	352.33	6.45	-60.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020257493	1	46	0.0	-70.34	341.49	6.13	-64.21
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020257493	1	46	0.0	-66.53	352.38	6.46	-60.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020257494	0	43	0.0	-70.24	319.95	5.33	-64.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020257494	1	43	0.0	-66.01	330.34	5.85	-60.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020257494	1	43	0.0	-70.24	320.01	5.35	-64.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020257494	1	43	0.0	-66.04	330.39	5.87	-60.17
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020257495	0	50	0.0	-75.47	373.61	8.25	-67.22
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020257495	1	50	0.0	-70.15	388.72	8.70	-61.45
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020257495	1	50	0.0	-75.47	373.75	8.22	-67.25
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020257495	1	50	0.0	-70.09	388.77	8.68	-61.41
CN1C=NC(C2=NN=C3CN(C4=NN=C(CCC5=N[N-]N=N5)N4C)CCN32)=C1	REAL300020257496	0	46	-1.0	-48.36	383.50	8.40	-39.96
CN1C=NC(C2=NN=C3CN(C4=NN=C(CCC5=NN=N[N-]5)N4C)CCN32)=C1	REAL300020257496	1	46	-1.0	-48.35	383.56	8.42	-39.93
CN1C=NC(C2=NN=C3CN(C4=NN=C(CC5=N[N-]N=N5)N4C)CCN32)=C1	REAL300020257497	0	43	-1.0	-50.14	362.00	7.62	-42.52
CN1C=NC(C2=NN=C3CN(C4=NN=C(CC5=NN=N[N-]5)N4C)CCN32)=C1	REAL300020257497	1	43	-1.0	-50.15	362.06	7.64	-42.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020257498	0	46	-1.0	-43.83	383.15	6.77	-37.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020257498	1	46	-1.0	-43.82	383.20	6.79	-37.03
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020257499	0	43	-1.0	-45.06	361.65	5.99	-39.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020257499	1	43	-1.0	-45.09	361.71	6.01	-39.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020257500	0	45	-1.0	-41.37	368.84	6.45	-34.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020257500	1	45	-1.0	-41.41	368.89	6.46	-34.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020257501	0	42	-1.0	-45.57	341.48	5.69	-39.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020257501	1	42	-1.0	-45.60	341.54	5.71	-39.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2C#N)CC1	REAL300020257502	0	46	-1.0	-46.72	387.09	7.33	-39.39
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2C#N)CC1	REAL300020257502	1	46	-1.0	-46.78	387.15	7.35	-39.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2C#N)CC1	REAL300020257503	0	43	-1.0	-48.14	365.48	6.53	-41.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2C#N)CC1	REAL300020257503	1	43	-1.0	-48.15	365.54	6.56	-41.59
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020257504	0	49	-1.0	-42.05	382.69	8.13	-33.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020257504	1	49	-1.0	-42.04	382.75	8.14	-33.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020257505	0	46	-1.0	-43.54	361.71	7.28	-36.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020257505	1	46	-1.0	-43.57	361.76	7.31	-36.26
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020257506	0	54	0.0	-67.89	398.46	5.80	-62.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020257506	1	54	0.0	-67.94	398.52	5.81	-62.13
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020257507	0	51	0.0	-66.96	383.06	4.97	-61.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020257507	1	51	0.0	-66.93	383.12	4.98	-61.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020257508	0	45	-1.0	-42.86	373.25	6.78	-36.08
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020257508	1	45	-1.0	-42.86	373.31	6.79	-36.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020257509	0	42	-1.0	-44.58	351.66	5.98	-38.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020257509	1	42	-1.0	-44.58	351.71	6.01	-38.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020257510	0	42	-1.0	-45.93	342.16	4.08	-41.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020257510	1	42	-1.0	-45.95	342.22	4.09	-41.86
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020257511	0	39	-1.0	-48.22	320.67	3.29	-44.93
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020257511	1	39	-1.0	-48.20	320.73	3.32	-44.88
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CCC#N)CC1	REAL300020257512	0	46	-1.0	-47.97	375.91	6.23	-41.74
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CCC#N)CC1	REAL300020257512	1	46	-1.0	-47.98	375.97	6.22	-41.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020257513	0	44	-1.0	-48.13	358.85	6.49	-41.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020257513	1	44	-1.0	-48.10	358.90	6.51	-41.59
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020257514	0	41	-1.0	-54.59	337.35	5.70	-48.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020257514	1	41	-1.0	-54.55	337.41	5.72	-48.83
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+]1C	REAL300020257515	0	48	0.0	-66.90	355.25	6.94	-59.96
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+]1C	REAL300020257515	1	48	0.0	-64.66	357.84	6.70	-57.96
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1C	REAL300020257515	1	48	0.0	-66.92	355.31	6.96	-59.96
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1C	REAL300020257515	1	48	0.0	-64.69	357.90	6.71	-57.98
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1C	REAL300020257516	0	45	0.0	-67.76	334.76	6.18	-61.58
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1C	REAL300020257516	1	45	0.0	-63.83	335.96	5.65	-58.18
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1C	REAL300020257516	1	45	0.0	-67.77	334.82	6.21	-61.56
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1C	REAL300020257516	1	45	0.0	-63.81	336.02	5.67	-58.14
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[N@@H+]1C	REAL300020257517	0	52	0.0	-70.63	392.06	9.05	-61.58
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[N@H+]1C	REAL300020257517	1	52	0.0	-71.38	384.51	8.72	-62.66
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC[N@@H+]1C	REAL300020257517	1	52	0.0	-70.66	392.02	9.05	-61.61
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC[N@H+]1C	REAL300020257517	1	52	0.0	-71.41	384.47	8.73	-62.68
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OCC2=CC=CC=C2)CC1	REAL300020257518	0	51	-1.0	-46.97	425.08	6.46	-40.51
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OCC2=CC=CC=C2)CC1	REAL300020257518	1	51	-1.0	-46.99	425.14	6.48	-40.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020257519	0	51	-1.0	-46.25	397.57	8.16	-38.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020257519	1	51	-1.0	-46.25	397.62	8.18	-38.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020257520	0	48	-1.0	-45.84	382.70	7.13	-38.71
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020257520	1	48	-1.0	-45.89	382.76	7.16	-38.73
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020257521	0	50	-1.0	-39.60	386.56	7.21	-32.39
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020257521	1	50	-1.0	-39.61	386.62	7.22	-32.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020257522	0	47	-1.0	-47.16	357.30	6.29	-40.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020257522	1	47	-1.0	-47.21	357.36	6.31	-40.90
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020257523	0	54	-1.0	-42.82	412.12	9.58	-33.24
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020257523	1	54	-1.0	-42.75	412.18	9.57	-33.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020257524	0	46	-1.0	-42.72	368.41	8.90	-33.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020257524	1	46	-1.0	-42.69	368.47	8.91	-33.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020257525	0	43	-1.0	-42.52	354.48	7.89	-34.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020257525	1	43	-1.0	-42.54	354.54	7.92	-34.62
COC(=O)C1=NOC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C1	REAL300020257526	0	44	-1.0	-43.34	372.34	4.56	-38.78
COC(=O)C1=NOC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C1	REAL300020257526	1	44	-1.0	-43.32	372.40	4.58	-38.74
COC(=O)C1=NOC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C1	REAL300020257527	0	41	-1.0	-49.64	349.89	3.86	-45.78
COC(=O)C1=NOC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C1	REAL300020257527	1	41	-1.0	-49.64	349.94	3.89	-45.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020257528	0	40	-1.0	-41.36	339.08	4.74	-36.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020257528	1	40	-1.0	-41.39	339.13	4.76	-36.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020257529	0	37	-1.0	-42.22	317.58	3.96	-38.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020257529	1	37	-1.0	-42.24	317.64	3.98	-38.26
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020257530	0	44	-1.0	-45.57	363.82	7.07	-38.50
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020257530	1	44	-1.0	-45.54	363.63	7.05	-38.49
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020257531	0	37	-1.0	-45.97	323.39	3.56	-42.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020257531	1	37	-1.0	-45.95	323.45	3.57	-42.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020257532	0	34	-1.0	-50.57	302.88	2.81	-47.76
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020257532	1	34	-1.0	-50.59	302.93	2.83	-47.76
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OCC(F)F)C1	REAL300020257533	0	41	-1.0	-47.75	355.77	5.67	-42.08
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OCC(F)F)C1	REAL300020257533	1	41	-1.0	-47.71	355.82	5.66	-42.05
COC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C(OC)=C1	REAL300020257534	0	53	-1.0	-44.23	419.36	5.30	-38.93
COC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C(OC)=C1	REAL300020257534	1	53	-1.0	-44.24	419.42	5.31	-38.93
COC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C(OC)=C1	REAL300020257535	0	50	-1.0	-46.78	396.78	4.48	-42.30
COC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C(OC)=C1	REAL300020257535	1	50	-1.0	-46.78	396.84	4.50	-42.28
CCOC(=O)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020257536	0	46	-1.0	-46.31	371.91	6.01	-40.30
CCOC(=O)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020257536	1	46	-1.0	-46.30	371.97	6.02	-40.28
CCOC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020257537	0	43	-1.0	-45.23	356.82	4.99	-40.24
CCOC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020257537	1	43	-1.0	-45.28	356.87	5.02	-40.26
CCOC(=O)C1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020257538	0	50	-1.0	-46.98	409.28	7.90	-39.08
CCOC(=O)C1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020257538	1	50	-1.0	-46.89	409.35	7.88	-39.01
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257539	0	43	-1.0	-46.23	365.34	8.36	-37.87
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257539	1	43	-1.0	-46.26	365.40	8.37	-37.89
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257540	0	40	-1.0	-49.93	344.79	7.61	-42.32
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257540	1	40	-1.0	-49.90	344.85	7.64	-42.26
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257541	0	47	-1.0	-49.18	397.18	10.48	-38.70
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257541	1	47	-1.0	-49.11	397.20	10.47	-38.64
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020257542	0	36	-1.0	-43.95	314.84	7.34	-36.61
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020257542	1	36	-1.0	-43.96	314.78	7.33	-36.63
CN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020257543	0	40	-1.0	-46.54	346.65	9.41	-37.13
CN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020257543	1	40	-1.0	-46.56	346.59	9.43	-37.13
CC1CC(CO)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257544	0	43	-1.0	-42.37	329.20	3.12	-39.25
CC1CC(CO)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257544	1	43	-1.0	-42.37	329.25	3.14	-39.23
CC1CC(CO)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257545	0	47	-1.0	-44.42	360.41	5.20	-39.22
CC1CC(CO)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257545	1	47	-1.0	-44.35	360.44	5.19	-39.16
CC(C)CC(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257546	0	52	-1.0	-46.98	397.32	7.63	-39.35
CC(C)CC(=O)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257546	1	52	-1.0	-47.03	397.38	7.65	-39.38
CC(C)CC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257547	0	49	-1.0	-43.09	382.50	6.26	-36.83
CC(C)CC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257547	1	49	-1.0	-43.12	382.55	6.27	-36.85
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020257548	0	41	-1.0	-43.35	342.91	5.63	-37.72
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020257548	1	41	-1.0	-43.32	342.96	5.64	-37.68
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020257549	0	38	-1.0	-46.09	317.50	5.10	-40.99
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020257549	1	38	-1.0	-46.09	317.44	5.08	-41.01
COC1=CC=CC2=C1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020257550	0	45	-1.0	-45.36	373.68	7.69	-37.67
COC1=CC=CC2=C1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020257550	1	45	-1.0	-45.30	373.72	7.69	-37.61
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257551	0	40	-1.0	-45.83	325.57	9.81	-36.02
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257551	1	40	-1.0	-45.85	325.62	9.82	-36.03
CC1=CC=CC2=C1CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257552	0	44	-1.0	-47.93	356.60	11.88	-36.05
CC1=CC=CC2=C1CCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257552	1	44	-1.0	-47.92	356.64	11.87	-36.05
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020257553	0	42	-2.0	-79.04	361.36	2.45	-76.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020257553	1	42	-2.0	-79.07	361.42	2.46	-76.61
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020257553	1	43	-1.0	-40.57	368.49	3.63	-36.94
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020257553	1	43	-1.0	-40.59	368.55	3.65	-36.94
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020257554	0	39	-2.0	-82.98	335.93	1.55	-81.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020257554	1	39	-2.0	-83.03	335.99	1.58	-81.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020257554	1	40	-1.0	-42.13	340.59	3.04	-39.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020257554	1	40	-1.0	-42.13	340.65	3.07	-39.06
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020257555	0	43	-1.0	-43.30	353.70	7.31	-35.99
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020257555	1	43	-1.0	-43.27	353.76	7.32	-35.95
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020257556	0	40	-1.0	-45.43	332.20	6.52	-38.91
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020257556	1	40	-1.0	-45.43	332.26	6.55	-38.88
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020257557	0	51	-1.0	-46.16	396.57	8.14	-38.02
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020257557	1	51	-1.0	-46.10	396.63	8.15	-37.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020257558	0	48	-1.0	-48.29	375.02	7.35	-40.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020257558	1	48	-1.0	-48.30	375.08	7.37	-40.93
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257559	0	58	0.0	-62.59	438.68	10.99	-51.60
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257559	1	58	0.0	-63.01	429.46	11.88	-51.13
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257559	1	58	0.0	-62.61	438.74	11.01	-51.60
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257559	1	58	0.0	-62.99	429.52	11.89	-51.10
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257560	0	55	0.0	-62.63	416.75	10.36	-52.27
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257560	1	55	0.0	-61.27	407.97	11.09	-50.18
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257560	1	55	0.0	-62.64	416.80	10.38	-52.26
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257560	1	55	0.0	-61.27	408.02	11.12	-50.15
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257561	0	57	0.0	-62.32	415.86	8.26	-54.06
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257561	1	57	0.0	-62.32	415.92	8.27	-54.05
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257562	0	54	0.0	-65.98	396.22	7.31	-58.67
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257562	1	54	0.0	-65.95	396.28	7.34	-58.61
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020257563	0	49	-1.0	-44.58	392.83	3.86	-40.72
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020257563	1	49	-1.0	-44.57	392.89	3.88	-40.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020257563	1	50	0.0	-73.61	394.39	6.11	-67.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020257564	0	46	-1.0	-47.24	371.36	3.08	-44.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020257564	1	46	-1.0	-47.21	371.42	3.10	-44.11
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020257564	1	47	0.0	-69.71	372.90	5.32	-64.39
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCS1	REAL300020257565	0	41	-1.0	-41.82	346.11	7.94	-33.88
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCS1	REAL300020257565	1	41	-1.0	-41.80	346.15	7.92	-33.88
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020257566	0	39	-1.0	-40.65	321.79	4.17	-36.48
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020257566	1	39	-1.0	-40.72	321.84	4.19	-36.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020257567	0	43	-1.0	-42.48	354.11	6.29	-36.19
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020257567	1	43	-1.0	-42.44	354.15	6.28	-36.16
COC(=O)C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=NO1	REAL300020257568	0	48	-1.0	-44.53	397.69	7.08	-37.45
COC(=O)C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=NO1	REAL300020257568	1	48	-1.0	-44.54	397.75	7.10	-37.44
COC(=O)C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=NO1	REAL300020257569	0	45	-1.0	-45.90	376.20	6.29	-39.61
COC(=O)C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=NO1	REAL300020257569	1	45	-1.0	-45.89	376.26	6.31	-39.58
COC1=CC=CC=C1C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257570	0	53	-1.0	-43.33	405.72	8.66	-34.67
COC1=CC=CC=C1C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257570	1	53	-1.0	-43.34	405.78	8.67	-34.67
COC1=CC=CC=C1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257571	0	50	-1.0	-45.97	383.13	7.83	-38.14
COC1=CC=CC=C1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257571	1	50	-1.0	-45.96	383.19	7.85	-38.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020257572	0	44	-1.0	-42.87	351.52	5.81	-37.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020257572	1	44	-1.0	-42.83	351.58	5.82	-37.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020257572	1	45	0.0	-59.52	351.86	4.67	-54.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020257573	0	41	-1.0	-45.16	330.03	5.03	-40.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020257573	1	41	-1.0	-45.17	330.09	5.05	-40.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020257573	1	42	0.0	-57.67	330.36	3.91	-53.76
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020257574	0	48	-1.0	-45.50	382.49	7.88	-37.62
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020257574	1	48	-1.0	-45.49	382.60	7.86	-37.63
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020257574	1	49	0.0	-66.78	381.06	7.51	-59.27
COCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCOCC1	REAL300020257575	0	47	-1.0	-42.86	356.59	4.17	-38.69
COCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCOCC1	REAL300020257575	1	47	-1.0	-42.87	356.64	4.18	-38.69
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCOCC1	REAL300020257576	0	44	-1.0	-44.23	336.47	3.45	-40.78
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCOCC1	REAL300020257576	1	44	-1.0	-44.24	336.53	3.47	-40.77
COCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCOCC1	REAL300020257577	0	51	-1.0	-44.84	389.92	6.20	-38.64
COCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCOCC1	REAL300020257577	1	51	-1.0	-44.76	389.95	6.18	-38.58
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020257578	0	39	-1.0	-43.73	318.35	7.47	-36.26
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020257578	1	39	-1.0	-43.67	318.38	7.46	-36.21
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020257579	0	47	-1.0	-42.34	353.52	6.28	-36.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020257579	1	47	-1.0	-42.34	353.58	6.30	-36.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020257580	0	44	-1.0	-44.61	337.63	5.21	-39.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020257580	1	44	-1.0	-44.62	337.69	5.23	-39.39
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020257581	0	51	-1.0	-44.16	388.89	8.31	-35.85
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020257581	1	51	-1.0	-44.08	388.94	8.32	-35.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020257582	0	44	-1.0	-43.19	347.20	8.37	-34.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020257582	1	44	-1.0	-43.12	347.26	8.39	-34.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020257583	0	41	-1.0	-45.28	324.86	7.55	-37.73
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020257583	1	41	-1.0	-45.28	324.80	7.53	-37.75
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020257584	0	48	-1.0	-45.21	378.21	10.42	-34.79
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020257584	1	48	-1.0	-45.23	378.24	10.42	-34.81
COC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020257585	0	49	-1.0	-42.82	391.94	5.68	-37.14
COC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020257585	1	49	-1.0	-42.85	392.00	5.69	-37.16
COC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020257586	0	46	-1.0	-45.44	364.59	4.92	-40.52
COC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020257586	1	46	-1.0	-45.43	364.64	4.94	-40.49
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020257587	0	45	-1.0	-42.60	352.62	4.27	-38.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020257587	1	45	-1.0	-42.61	352.67	4.28	-38.33
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020257588	0	42	-1.0	-45.24	331.12	3.47	-41.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020257588	1	42	-1.0	-45.22	331.17	3.50	-41.72
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020257589	0	49	-1.0	-45.74	377.89	6.64	-39.10
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020257589	1	49	-1.0	-45.69	377.93	6.63	-39.06
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257590	0	41	-1.0	-41.57	325.53	7.18	-34.39
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257590	1	41	-1.0	-41.54	325.59	7.20	-34.34
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257591	0	45	-1.0	-43.72	361.34	9.28	-34.44
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257591	1	45	-1.0	-43.74	361.42	9.26	-34.48
COC1=CC=C(CN(CCO)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020257592	0	47	-1.0	-46.68	377.99	4.56	-42.12
COC1=CC=C(CN(CCO)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020257592	1	47	-1.0	-46.67	378.05	4.57	-42.10
COC1=CC=C(CN(CCO)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020257593	0	44	-1.0	-49.21	358.75	3.45	-45.76
COC1=CC=C(CN(CCO)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020257593	1	44	-1.0	-49.20	358.67	3.42	-45.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CCC(C)(C)C	REAL300020257594	0	57	-1.0	-41.72	439.84	10.23	-31.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CCC(C)(C)C	REAL300020257594	1	57	-1.0	-41.67	439.90	10.24	-31.43
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CCC(C)(C)C	REAL300020257595	0	54	-1.0	-44.39	416.69	9.44	-34.95
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CCC(C)(C)C	REAL300020257595	1	54	-1.0	-44.42	416.74	9.46	-34.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020257596	0	53	-1.0	-41.40	386.78	7.30	-34.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020257596	1	53	-1.0	-41.40	386.83	7.31	-34.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020257597	0	50	-1.0	-45.85	367.31	6.87	-38.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020257597	1	50	-1.0	-45.85	367.37	6.89	-38.96
CN(CC1=CC=NS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257598	0	35	-1.0	-42.24	307.52	5.00	-37.24
CN(CC1=CC=NS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257598	1	35	-1.0	-42.26	307.58	5.02	-37.24
CN(CC1=CC=NS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257599	0	39	-1.0	-45.23	339.36	7.13	-38.10
CN(CC1=CC=NS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257599	1	39	-1.0	-45.19	339.40	7.12	-38.07
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020257600	0	40	-1.0	-43.69	329.35	7.51	-36.18
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020257600	1	40	-1.0	-43.68	329.39	7.49	-36.19
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C(F)(F)F	REAL300020257601	0	46	-1.0	-43.65	378.45	9.39	-34.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C(F)(F)F	REAL300020257601	1	46	-1.0	-43.65	378.50	9.40	-34.25
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C(F)(F)F	REAL300020257602	0	43	-1.0	-46.60	358.70	8.89	-37.71
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C(F)(F)F	REAL300020257602	1	43	-1.0	-46.64	358.76	8.92	-37.72
COC1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257603	0	40	-1.0	-41.39	328.66	4.16	-37.23
COC1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257603	1	40	-1.0	-41.39	328.71	4.18	-37.21
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257604	0	37	-1.0	-45.02	308.04	3.36	-41.66
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257604	1	37	-1.0	-45.01	308.10	3.38	-41.63
COC1(C(F)(F)F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257605	0	44	-1.0	-43.98	361.04	6.33	-37.65
COC1(C(F)(F)F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257605	1	44	-1.0	-43.95	361.09	6.32	-37.63
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020257606	0	43	-1.0	-44.59	342.31	7.77	-36.82
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020257606	1	43	-1.0	-44.56	342.34	7.77	-36.79
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020257607	0	40	-1.0	-43.44	325.46	7.71	-35.73
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020257607	1	40	-1.0	-43.37	325.53	7.69	-35.68
CC(=O)N1C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C[C@H]2C1	REAL300020257608	0	44	-1.0	-52.54	351.10	4.98	-47.56
CC(=O)N1C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C[C@H]2C1	REAL300020257608	1	44	-1.0	-52.53	351.16	5.00	-47.53
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)C[C@H]2C1	REAL300020257609	0	41	-1.0	-54.79	330.60	4.22	-50.57
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)C[C@H]2C1	REAL300020257609	1	41	-1.0	-54.79	330.66	4.25	-50.54
CC(=O)N1C[C@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C[C@H]2C1	REAL300020257610	0	48	-1.0	-54.79	382.44	7.02	-47.77
CC(=O)N1C[C@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C[C@H]2C1	REAL300020257610	1	48	-1.0	-54.77	382.48	7.01	-47.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020257611	0	39	-1.0	-44.92	333.31	5.24	-39.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020257611	1	39	-1.0	-44.99	333.36	5.25	-39.74
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020257612	0	36	-1.0	-47.86	312.81	4.47	-43.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020257612	1	36	-1.0	-47.84	312.87	4.49	-43.35
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020257613	0	43	-1.0	-46.98	365.27	7.32	-39.66
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020257613	1	43	-1.0	-46.98	365.30	7.31	-39.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020257614	0	58	0.0	-69.97	435.34	7.90	-62.07
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCCOC(C)(C)C)CC1	REAL300020257614	1	57	-1.0	-42.62	432.66	5.53	-37.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCCOC(C)(C)C)CC1	REAL300020257614	1	57	-1.0	-42.61	432.71	5.54	-37.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020257615	0	55	0.0	-69.71	414.89	7.14	-62.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020257615	1	55	0.0	-69.74	414.94	7.16	-62.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCCOC(C)(C)C)CC1	REAL300020257615	1	54	-1.0	-45.32	411.15	4.74	-40.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCCOC(C)(C)C)CC1	REAL300020257615	1	54	-1.0	-45.33	411.20	4.77	-40.56
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1C1=CC=CC=C1	REAL300020257616	0	49	-1.0	-40.66	390.27	9.40	-31.26
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1C1=CC=CC=C1	REAL300020257616	1	49	-1.0	-40.71	390.32	9.41	-31.30
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1C1=CC=CC=C1	REAL300020257617	0	46	-1.0	-44.56	345.95	7.69	-36.87
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1C1=CC=CC=C1	REAL300020257617	1	46	-1.0	-44.57	346.00	7.72	-36.85
CCC1=CC=C(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020257618	0	54	-1.0	-41.28	423.50	7.92	-33.36
CCC1=CC=C(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020257618	1	55	0.0	-69.97	425.82	10.34	-59.63
CCC1=CC=C(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020257618	1	54	-1.0	-41.28	423.55	7.94	-33.34
CCC1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020257619	0	51	-1.0	-44.01	402.90	7.31	-36.70
CCC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020257619	1	52	0.0	-67.25	404.37	9.55	-57.70
CCC1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020257619	1	51	-1.0	-43.98	402.96	7.34	-36.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020257620	0	40	-1.0	-44.52	337.96	6.56	-37.96
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020257620	1	40	-1.0	-44.54	338.02	6.57	-37.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020257621	0	37	-1.0	-46.20	316.46	5.77	-40.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020257621	1	37	-1.0	-46.21	316.52	5.80	-40.41
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020257622	0	44	-1.0	-47.60	368.59	8.62	-38.98
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020257622	1	44	-1.0	-47.60	368.64	8.59	-39.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020257623	0	46	-1.0	-40.78	361.16	7.67	-33.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020257623	1	46	-1.0	-40.78	361.21	7.69	-33.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020257624	0	43	-1.0	-43.25	336.17	6.74	-36.51
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020257624	1	43	-1.0	-43.25	336.12	6.72	-36.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020257625	0	50	-1.0	-42.90	388.48	9.60	-33.30
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020257625	1	50	-1.0	-42.87	388.54	9.59	-33.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300020257626	0	49	-1.0	-42.94	392.06	6.59	-36.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300020257626	1	49	-1.0	-42.96	392.12	6.61	-36.35
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300020257627	0	46	-1.0	-45.95	365.92	5.77	-40.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300020257627	1	46	-1.0	-46.01	365.97	5.80	-40.21
CC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257628	0	52	0.0	-66.93	397.84	9.53	-57.40
CC(C1=CC=CC=C1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257628	1	51	-1.0	-40.49	403.24	7.53	-32.96
CC(C1=CC=CC=C1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257628	1	51	-1.0	-40.47	403.30	7.54	-32.93
CC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257629	0	49	0.0	-65.89	369.25	8.47	-57.42
CC(C1=CC=CC=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257629	1	48	-1.0	-44.32	376.41	6.83	-37.49
CC(C1=CC=CC=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257629	1	48	-1.0	-44.34	376.46	6.85	-37.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	REAL300020257630	0	56	0.0	-72.71	407.24	4.82	-67.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	REAL300020257631	0	53	0.0	-71.13	384.73	4.01	-67.12
COC1COCCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257632	0	44	-1.0	-41.33	342.81	2.17	-39.16
COC1COCCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257632	1	44	-1.0	-41.29	342.87	2.19	-39.10
COC1COCCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257633	0	41	-1.0	-43.87	318.45	2.38	-41.49
COC1COCCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257633	1	41	-1.0	-43.84	318.51	2.40	-41.44
COC1COCCC1N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257634	0	48	-1.0	-44.26	373.58	5.06	-39.20
COC1COCCC1N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257634	1	48	-1.0	-44.29	373.61	5.05	-39.24
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257635	0	58	0.0	-65.98	397.29	8.40	-57.58
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257635	1	58	0.0	-65.99	397.35	8.42	-57.57
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257636	0	55	0.0	-64.67	374.70	7.58	-57.09
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257636	1	55	0.0	-64.67	374.76	7.61	-57.06
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CCC3=CC=CC=C3)=NN=C2C1	REAL300020257637	0	49	-1.0	-46.92	403.92	9.64	-37.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CCC3=CC=CC=C3)=NN=C2C1	REAL300020257637	1	49	-1.0	-46.94	403.98	9.67	-37.27
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(C3=CC=CC=C3)=NN2)C1	REAL300020257638	0	50	-1.0	-48.90	404.88	8.21	-40.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(C3=CC=CC=C3)=NN2)C1	REAL300020257638	1	50	-1.0	-48.95	404.94	8.23	-40.72
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020257639	0	45	0.0	-67.82	330.20	5.88	-61.94
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020257639	1	45	0.0	-62.58	341.72	6.23	-56.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020257639	1	44	-1.0	-41.18	333.23	4.16	-37.02
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020257639	1	44	-1.0	-41.20	333.29	4.18	-37.02
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020257640	0	49	0.0	-71.52	366.47	8.52	-63.00
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020257640	1	49	0.0	-71.57	366.25	8.49	-63.08
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020257640	1	48	-1.0	-43.54	364.19	6.26	-37.28
C[C@@H]1C[N@@H+](CCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C[C@H](C)O1	REAL300020257641	0	59	0.0	-75.44	432.67	8.29	-67.15
C[C@@H]1C[N@H+](CCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C[C@H](C)O1	REAL300020257641	1	59	0.0	-72.76	445.57	8.00	-64.76
C[C@@H]1C[N@@H+](CCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C[C@H](C)O1	REAL300020257641	1	59	0.0	-75.45	432.72	8.31	-67.14
C[C@@H]1C[N@H+](CCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C[C@H](C)O1	REAL300020257641	1	59	0.0	-72.75	445.63	8.02	-64.73
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020257642	0	46	-1.0	-43.20	369.90	6.54	-36.66
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020257642	1	46	-1.0	-43.21	369.96	6.56	-36.65
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020257643	0	43	-1.0	-46.41	344.69	5.87	-40.54
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020257643	1	43	-1.0	-46.40	344.75	5.89	-40.51
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020257644	0	50	-1.0	-45.04	398.09	8.77	-36.27
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020257644	1	50	-1.0	-45.05	397.87	8.75	-36.30
CCCCCCCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257645	0	59	-1.0	-39.61	463.26	10.96	-28.65
CCCCCCCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257645	1	59	-1.0	-39.68	463.32	10.98	-28.70
CCCCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257646	0	56	-1.0	-41.40	442.79	10.23	-31.17
CCCCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257646	1	56	-1.0	-41.36	442.84	10.25	-31.11
C[C@@H]1C[N@@H+](CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C[C@H](C)O1	REAL300020257647	0	59	0.0	-72.82	431.48	8.43	-64.39
C[C@@H]1C[N@H+](CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C[C@H](C)O1	REAL300020257647	1	59	0.0	-73.03	437.72	8.42	-64.61
C[C@@H]1C[N@@H+](CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C[C@H](C)O1	REAL300020257647	1	59	0.0	-72.81	431.54	8.45	-64.36
C[C@@H]1C[N@H+](CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C[C@H](C)O1	REAL300020257647	1	59	0.0	-73.01	437.77	8.44	-64.57
C[C@@H]1C[N@@H+](CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C[C@H](C)O1	REAL300020257648	0	56	0.0	-71.79	409.99	7.64	-64.15
C[C@@H]1C[N@H+](CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C[C@H](C)O1	REAL300020257648	1	56	0.0	-71.69	416.22	7.63	-64.06
C[C@@H]1C[N@@H+](CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C[C@H](C)O1	REAL300020257648	1	56	0.0	-71.82	410.05	7.66	-64.16
C[C@@H]1C[N@H+](CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C[C@H](C)O1	REAL300020257648	1	56	0.0	-71.70	416.27	7.65	-64.05
CN(CC1=CSC=C1Br)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257649	0	36	-1.0	-39.95	331.86	6.81	-33.14
CN(CC1=CSC=C1Br)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257649	1	36	-1.0	-39.94	331.92	6.82	-33.12
CN(CC1=CSC=C1Br)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257650	0	33	-1.0	-42.60	311.32	6.05	-36.55
CN(CC1=CSC=C1Br)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257650	1	33	-1.0	-42.68	311.37	6.07	-36.61
COC(=O)C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020257651	0	46	-1.0	-47.20	380.06	7.08	-40.12
COC(=O)C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020257651	1	46	-1.0	-47.26	380.12	7.10	-40.16
COC(=O)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020257652	0	43	-1.0	-48.42	355.46	6.21	-42.21
COC(=O)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020257652	1	43	-1.0	-48.41	355.51	6.24	-42.17
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257653	0	58	0.0	-57.20	427.55	10.86	-46.34
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257653	1	58	0.0	-61.82	436.90	12.56	-49.26
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257653	1	58	0.0	-57.21	427.61	10.88	-46.33
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257653	1	58	0.0	-61.81	436.96	12.57	-49.24
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257654	0	55	0.0	-57.74	410.49	9.74	-48.00
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257654	1	55	0.0	-59.61	412.65	11.83	-47.78
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257654	1	55	0.0	-57.73	410.55	9.76	-47.97
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257654	1	55	0.0	-59.62	412.71	11.86	-47.76
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257655	0	41	-1.0	-55.46	347.79	4.33	-51.13
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257655	1	41	-1.0	-55.44	347.84	4.34	-51.10
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257656	0	38	-1.0	-53.46	326.30	3.56	-49.90
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257656	1	38	-1.0	-53.45	326.24	3.53	-49.92
CC1C2=C(C=CS2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257657	0	40	-1.0	-41.43	331.75	6.09	-35.34
CC1C2=C(C=CS2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257657	1	40	-1.0	-41.40	331.80	6.10	-35.30
CC1C2=C(C=CS2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257658	0	37	-1.0	-43.19	310.10	6.53	-36.66
CC1C2=C(C=CS2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257658	1	37	-1.0	-43.19	310.05	6.51	-36.68
CC1C2=C(C=CS2)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257659	0	44	-1.0	-43.93	362.94	8.14	-35.79
CC1C2=C(C=CS2)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257659	1	44	-1.0	-43.91	362.99	8.13	-35.78
COC(=O)CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257660	0	48	-1.0	-47.16	382.70	7.56	-39.60
COC(=O)CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257660	1	48	-1.0	-47.16	382.76	7.58	-39.58
COC(=O)CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257661	0	45	-1.0	-50.02	361.15	6.79	-43.23
COC(=O)CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257661	1	45	-1.0	-50.02	361.20	6.81	-43.21
COC(=O)CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257662	0	52	-1.0	-48.14	417.88	9.60	-38.54
COC(=O)CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257662	1	52	-1.0	-48.09	417.93	9.59	-38.50
CN(CC1CN(C2=CC=CC=C2)C(=O)O1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257663	0	48	-1.0	-52.33	391.11	7.34	-44.99
CN(CC1CN(C2=CC=CC=C2)C(=O)O1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257663	1	48	-1.0	-52.31	391.16	7.35	-44.96
CN(CC1CN(C2=CC=CC=C2)C(=O)O1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257664	0	45	-1.0	-52.59	376.52	6.30	-46.29
CN(CC1CN(C2=CC=CC=C2)C(=O)O1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257664	1	45	-1.0	-52.61	376.58	6.32	-46.29
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257665	0	44	-1.0	-52.53	353.89	3.59	-48.94
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257665	1	44	-1.0	-52.53	353.95	3.61	-48.92
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257666	0	41	-1.0	-52.23	338.06	2.82	-49.41
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257666	1	41	-1.0	-52.24	338.11	2.84	-49.40
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257667	0	48	-1.0	-52.97	385.69	5.69	-47.28
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257667	1	48	-1.0	-52.97	385.72	5.68	-47.29
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257668	0	48	-1.0	-41.40	371.32	6.97	-34.43
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257668	1	48	-1.0	-41.40	371.38	6.98	-34.42
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257669	0	45	-1.0	-43.85	359.31	5.14	-38.71
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257669	1	45	-1.0	-43.89	359.37	5.16	-38.73
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020257670	0	41	-1.0	-46.52	331.73	4.35	-42.17
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020257670	1	41	-1.0	-46.51	331.76	4.33	-42.18
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020257671	0	42	-1.0	-44.00	332.88	5.64	-38.36
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020257671	1	42	-1.0	-43.95	332.93	5.63	-38.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020257672	0	46	-1.0	-42.37	370.37	9.01	-33.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020257672	1	46	-1.0	-42.36	370.42	9.03	-33.33
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020257673	0	43	-1.0	-44.32	348.89	8.22	-36.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020257673	1	43	-1.0	-44.32	348.95	8.24	-36.08
CN1N=NN=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257674	0	44	-1.0	-48.32	356.62	4.88	-43.44
CN1N=NN=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257674	1	44	-1.0	-48.33	356.67	4.89	-43.44
CN1N=NN=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257675	0	41	-1.0	-47.76	335.12	4.08	-43.68
CN1N=NN=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257675	1	41	-1.0	-47.76	335.17	4.11	-43.65
CN1N=NN=C1C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257676	0	48	-1.0	-49.13	395.32	6.77	-42.36
CN1N=NN=C1C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257676	1	48	-1.0	-49.11	395.38	6.75	-42.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020257677	0	44	-1.0	-50.90	341.51	3.50	-47.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020257677	1	44	-1.0	-50.90	341.57	3.51	-47.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020257678	0	41	-1.0	-52.81	319.93	2.71	-50.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020257678	1	41	-1.0	-52.84	319.99	2.74	-50.10
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020257679	0	48	-1.0	-52.77	374.28	5.48	-47.29
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020257679	1	48	-1.0	-52.74	374.32	5.47	-47.27
CCOC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1C(F)(F)F	REAL300020257680	0	45	-1.0	-40.70	386.53	6.93	-33.77
CCOC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1C(F)(F)F	REAL300020257680	1	45	-1.0	-40.66	386.59	6.95	-33.71
CCOC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1C(F)(F)F	REAL300020257681	0	42	-1.0	-41.72	366.38	6.25	-35.47
CCOC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1C(F)(F)F	REAL300020257681	1	42	-1.0	-41.75	366.44	6.28	-35.47
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020257682	0	46	-1.0	-45.76	389.79	3.53	-42.23
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020257682	1	46	-1.0	-45.77	389.85	3.55	-42.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020257683	0	43	-1.0	-49.52	366.60	2.92	-46.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020257683	1	43	-1.0	-49.53	366.65	2.94	-46.59
CCC(C1=CC=C(F)C=C1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257684	0	54	-1.0	-42.92	417.49	7.91	-35.01
CCC(C1=CC=C(F)C=C1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257684	1	54	-1.0	-42.91	417.55	7.92	-34.99
CCC(C1=CC=C(F)C=C1)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257684	1	55	0.0	-72.36	422.94	10.20	-62.16
CCC(C1=CC=C(F)C=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257685	0	51	-1.0	-45.74	395.99	7.12	-38.62
CCC(C1=CC=C(F)C=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257685	1	51	-1.0	-45.73	396.05	7.15	-38.58
CCC(C1=CC=C(F)C=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257685	1	52	0.0	-67.33	399.82	9.35	-57.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(Cl)C=N2)CC1	REAL300020257686	0	46	-1.0	-41.78	389.74	6.16	-35.62
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(Cl)C=N2)CC1	REAL300020257686	1	46	-1.0	-41.76	389.68	6.15	-35.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(Cl)C=N2)CC1	REAL300020257687	0	43	-1.0	-44.11	369.33	5.41	-38.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(Cl)C=N2)CC1	REAL300020257687	1	43	-1.0	-44.12	369.28	5.39	-38.73
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020257688	0	44	-1.0	-42.28	358.12	6.55	-35.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020257688	1	44	-1.0	-42.28	358.17	6.56	-35.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020257689	0	41	-1.0	-43.73	347.25	6.34	-37.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020257689	1	41	-1.0	-43.75	347.31	6.36	-37.39
CC(C)C1=CC(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=NN1	REAL300020257690	0	52	-1.0	-44.00	414.86	7.26	-36.74
CC(C)C1=NNC(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=C1	REAL300020257690	1	52	-1.0	-43.30	414.99	7.26	-36.04
CC(C)C1=CC(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=NN1	REAL300020257690	1	52	-1.0	-43.98	414.92	7.28	-36.70
CC(C)C1=NNC(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=C1	REAL300020257690	1	52	-1.0	-43.33	415.04	7.27	-36.06
CC(C)C1=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=NN1	REAL300020257691	0	49	-1.0	-49.53	387.22	6.52	-43.01
CC(C)C1=NNC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=C1	REAL300020257691	1	49	-1.0	-44.61	394.04	6.28	-38.33
CC(C)C1=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=NN1	REAL300020257691	1	49	-1.0	-49.53	387.27	6.55	-42.98
CC(C)C1=NNC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=C1	REAL300020257691	1	49	-1.0	-44.59	394.10	6.31	-38.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020257692	0	49	-1.0	-44.76	386.50	4.50	-40.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020257692	1	49	-1.0	-44.77	386.55	4.51	-40.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020257693	0	46	-1.0	-45.69	372.91	3.57	-42.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020257693	1	46	-1.0	-45.68	372.97	3.60	-42.08
CONC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257694	0	44	-1.0	-49.47	357.70	4.65	-44.82
CONC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257694	1	44	-1.0	-49.44	357.76	4.66	-44.78
CONC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257695	0	41	-1.0	-48.97	343.36	3.84	-45.13
CONC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257695	1	41	-1.0	-49.02	343.42	3.87	-45.15
CONC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257696	0	48	-1.0	-49.67	396.44	6.54	-43.13
CONC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257696	1	48	-1.0	-49.62	396.51	6.52	-43.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020257697	0	39	-1.0	-40.60	323.48	5.96	-34.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020257697	1	39	-1.0	-40.62	323.54	5.98	-34.64
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020257698	0	36	-1.0	-41.28	303.76	5.23	-36.05
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020257698	1	36	-1.0	-41.32	303.81	5.26	-36.06
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020257699	0	43	-1.0	-43.97	358.47	8.11	-35.86
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020257699	1	43	-1.0	-43.94	358.49	8.10	-35.84
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC2=CC=CC=C21	REAL300020257700	0	43	-1.0	-41.50	339.28	7.50	-34.00
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC2=CC=CC=C21	REAL300020257700	1	43	-1.0	-41.51	339.33	7.51	-34.00
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC2=CC=CC=C21	REAL300020257701	0	40	-1.0	-43.52	317.84	6.74	-36.78
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC2=CC=CC=C21	REAL300020257701	1	40	-1.0	-43.47	317.78	6.71	-36.76
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC2=CC=CC=C21	REAL300020257702	0	47	-1.0	-43.74	370.62	9.58	-34.16
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC2=CC=CC=C21	REAL300020257702	1	47	-1.0	-43.68	370.67	9.57	-34.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020257703	0	45	-1.0	-45.35	378.32	4.89	-40.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020257703	1	45	-1.0	-45.41	378.27	4.87	-40.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020257704	0	42	-1.0	-46.61	356.89	4.11	-42.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020257704	1	42	-1.0	-46.59	356.83	4.09	-42.50
CCOC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC12COC2	REAL300020257705	0	47	-1.0	-45.19	382.65	5.04	-40.15
CCOC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC12COC2	REAL300020257705	1	47	-1.0	-45.23	382.71	5.05	-40.18
CCOC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC12COC2	REAL300020257706	0	44	-1.0	-47.72	360.68	4.24	-43.48
CCOC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC12COC2	REAL300020257706	1	44	-1.0	-47.70	360.74	4.27	-43.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020257707	0	43	-1.0	-50.38	351.23	3.27	-47.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020257707	1	43	-1.0	-50.37	351.29	3.29	-47.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020257708	0	40	-1.0	-52.52	329.74	2.49	-50.03
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020257708	1	40	-1.0	-52.52	329.80	2.51	-50.01
CC1=CSC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=N1	REAL300020257709	0	42	-1.0	-42.49	347.41	5.14	-37.35
CC1=CSC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=N1	REAL300020257709	1	42	-1.0	-42.47	347.46	5.15	-37.32
CC1=CSC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=N1	REAL300020257710	0	39	-1.0	-46.35	331.46	4.98	-41.37
CC1=CSC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=N1	REAL300020257710	1	39	-1.0	-46.37	331.52	5.01	-41.36
CC1=CSC(C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C2)=N1	REAL300020257711	0	46	-1.0	-45.47	388.06	7.98	-37.49
CC1=CSC(C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C2)=N1	REAL300020257711	1	46	-1.0	-45.47	388.11	7.96	-37.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020257712	0	46	-1.0	-47.57	367.51	3.04	-44.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020257712	1	46	-1.0	-47.55	367.57	3.05	-44.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020257713	0	43	-1.0	-56.01	340.24	2.19	-53.82
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020257713	1	43	-1.0	-55.95	340.29	2.21	-53.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020257714	0	42	-1.0	-52.91	353.50	0.93	-51.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020257714	1	42	-1.0	-52.94	353.56	0.94	-52.00
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020257715	0	39	-1.0	-55.94	325.89	0.22	-55.72
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020257715	1	39	-1.0	-55.94	325.95	0.24	-55.70
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020257716	0	46	-1.0	-56.03	378.16	3.07	-52.96
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020257716	1	46	-1.0	-55.97	378.17	3.06	-52.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020257717	0	37	-1.0	-42.40	312.61	4.07	-38.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020257717	1	37	-1.0	-42.39	312.67	4.08	-38.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020257718	0	34	-1.0	-47.10	289.33	3.23	-43.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020257718	1	34	-1.0	-47.11	289.39	3.25	-43.86
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(F)F)C1	REAL300020257719	0	41	-1.0	-47.64	342.71	6.16	-41.48
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(F)F)C1	REAL300020257719	1	41	-1.0	-47.63	342.77	6.14	-41.49
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020257720	0	40	-1.0	-51.09	332.15	2.21	-48.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020257720	1	40	-1.0	-51.11	332.20	2.22	-48.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020257721	0	37	-1.0	-49.71	312.05	1.68	-48.03
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020257721	1	37	-1.0	-49.67	312.11	1.71	-47.96
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020257722	0	44	-1.0	-52.98	364.16	4.31	-48.67
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020257722	1	44	-1.0	-52.98	364.19	4.30	-48.68
CN(CCCCCCNC(=O)OC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257723	0	58	-1.0	-46.52	461.81	6.10	-40.42
CN(CCCCCCNC(=O)OC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257723	1	58	-1.0	-46.44	461.86	6.12	-40.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020257724	0	55	0.0	-64.18	394.90	8.30	-55.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020257724	1	55	0.0	-64.19	394.96	8.31	-55.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020257725	0	52	0.0	-63.32	373.39	7.51	-55.81
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020257725	1	52	0.0	-63.36	373.45	7.54	-55.82
CC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257726	0	41	-1.0	-43.76	337.02	5.94	-37.82
CC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257726	1	41	-1.0	-43.80	337.07	5.95	-37.85
CC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257727	0	45	-1.0	-47.35	362.91	8.09	-39.26
CC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257727	1	45	-1.0	-47.29	362.95	8.07	-39.22
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257728	0	56	0.0	-70.33	433.54	10.49	-59.84
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257728	1	56	0.0	-65.39	433.64	9.97	-55.42
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257728	1	56	0.0	-70.35	433.60	10.51	-59.84
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257728	1	56	0.0	-65.39	433.70	9.98	-55.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257729	0	53	0.0	-65.05	408.53	9.17	-55.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257729	1	53	0.0	-64.65	413.44	9.12	-55.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257729	1	53	0.0	-65.01	408.59	9.20	-55.81
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020257729	1	53	0.0	-64.64	413.50	9.14	-55.50
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257730	0	42	-1.0	-39.48	364.62	7.65	-31.83
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257730	1	42	-1.0	-39.51	364.67	7.66	-31.85
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257731	0	39	-1.0	-41.22	343.18	6.88	-34.34
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257731	1	39	-1.0	-41.18	343.12	6.85	-34.33
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257732	0	46	-1.0	-42.13	381.82	10.53	-31.60
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257732	1	46	-1.0	-42.08	381.87	10.53	-31.55
CC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257733	0	41	-1.0	-48.20	331.85	5.98	-42.22
CC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257733	1	41	-1.0	-48.20	331.91	6.00	-42.20
CC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257734	0	45	-1.0	-50.34	362.69	8.06	-42.28
CC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257734	1	45	-1.0	-50.36	362.74	8.06	-42.30
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020257735	0	46	-1.0	-40.36	356.09	3.90	-36.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020257735	1	46	-1.0	-40.35	356.14	3.91	-36.44
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020257736	0	43	-1.0	-46.48	334.60	3.08	-43.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020257736	1	43	-1.0	-46.47	334.66	3.11	-43.36
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020257737	0	50	-1.0	-43.32	383.26	5.95	-37.37
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020257737	1	50	-1.0	-43.36	383.32	5.95	-37.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1	REAL300020257738	0	54	-1.0	-47.10	413.50	6.27	-40.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1	REAL300020257738	1	54	-1.0	-47.09	413.56	6.30	-40.79
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C)C(C)(C)C	REAL300020257739	0	47	-1.0	-40.51	351.05	8.88	-31.63
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C)C(C)(C)C	REAL300020257739	1	47	-1.0	-40.50	351.11	8.90	-31.60
CC(CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C(C)(C)C	REAL300020257740	0	51	-1.0	-42.66	383.97	10.90	-31.76
CC(CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C(C)(C)C	REAL300020257740	1	51	-1.0	-42.64	383.98	10.89	-31.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020257741	0	41	-1.0	-42.91	338.26	1.32	-41.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020257741	1	41	-1.0	-42.89	338.32	1.33	-41.56
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCO)C1	REAL300020257742	0	45	-1.0	-45.08	369.70	3.18	-41.90
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCO)C1	REAL300020257742	1	45	-1.0	-45.02	369.74	3.17	-41.85
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020257743	0	44	-1.0	-43.30	339.75	1.34	-41.96
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020257743	1	44	-1.0	-43.33	339.81	1.36	-41.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020257744	0	41	-1.0	-45.51	318.25	0.56	-44.95
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020257744	1	41	-1.0	-45.50	318.31	0.58	-44.92
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020257745	0	48	-1.0	-45.20	372.48	3.35	-41.85
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020257745	1	48	-1.0	-45.21	372.51	3.34	-41.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)NC2CCCC(O)C2)C1	REAL300020257746	0	54	-1.0	-51.31	421.28	3.24	-48.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)NC2CCCC(O)C2)C1	REAL300020257746	1	54	-1.0	-51.30	421.34	3.26	-48.04
CC(=O)NC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020257747	0	47	-1.0	-48.68	381.32	5.33	-43.35
CC(=O)NC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020257747	1	47	-1.0	-48.68	381.38	5.34	-43.34
CC(=O)NC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020257748	0	44	-1.0	-50.18	360.09	4.54	-45.64
CC(=O)NC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020257748	1	44	-1.0	-50.20	360.14	4.56	-45.64
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020257749	0	42	-1.0	-46.23	343.40	7.89	-38.34
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020257749	1	42	-1.0	-46.17	343.45	7.87	-38.30
CN1C=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020257750	0	46	-1.0	-45.71	368.17	6.67	-39.04
CN1C=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020257750	1	46	-1.0	-45.72	368.23	6.69	-39.03
CN1C=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020257751	0	43	-1.0	-48.20	347.78	5.91	-42.29
CN1C=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020257751	1	43	-1.0	-48.17	347.83	5.94	-42.23
CN1C=CC(C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2)=N1	REAL300020257752	0	50	-1.0	-48.13	400.12	8.77	-39.36
CN1C=CC(C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2)=N1	REAL300020257752	1	50	-1.0	-48.14	400.17	8.77	-39.37
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020257753	0	41	-1.0	-48.33	338.99	7.88	-40.45
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020257753	1	41	-1.0	-48.36	339.04	7.87	-40.49
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020257754	0	44	-1.0	-44.34	347.06	5.60	-38.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020257754	1	44	-1.0	-44.33	347.12	5.62	-38.71
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020257755	0	41	-1.0	-44.00	322.97	4.81	-39.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020257755	1	41	-1.0	-44.03	323.02	4.83	-39.20
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020257756	0	48	-1.0	-44.82	376.13	7.70	-37.12
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020257756	1	48	-1.0	-44.84	376.16	7.70	-37.14
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020257757	0	37	-1.0	-45.50	314.25	5.75	-39.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020257757	1	37	-1.0	-45.48	314.30	5.76	-39.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020257758	0	34	-1.0	-47.65	293.05	5.13	-42.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020257758	1	34	-1.0	-47.68	293.10	5.15	-42.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020257759	0	41	-1.0	-48.13	346.64	7.85	-40.28
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020257759	1	41	-1.0	-48.22	346.33	7.83	-40.39
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1C1=CC=CC=C1	REAL300020257760	0	46	-1.0	-41.03	368.75	8.98	-32.05
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1C1=CC=CC=C1	REAL300020257760	1	46	-1.0	-41.03	368.81	9.00	-32.03
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1C1=CC=CC=C1	REAL300020257761	0	43	-1.0	-42.74	347.31	8.22	-34.52
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1C1=CC=CC=C1	REAL300020257761	1	43	-1.0	-42.68	347.25	8.20	-34.48
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1C1=CC=CC=C1	REAL300020257762	0	50	-1.0	-44.85	395.69	11.22	-33.63
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1C1=CC=CC=C1	REAL300020257762	1	50	-1.0	-44.85	395.72	11.21	-33.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020257763	0	43	-1.0	-42.81	356.85	7.90	-34.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020257763	1	43	-1.0	-42.78	356.91	7.92	-34.86
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020257764	0	40	-1.0	-47.58	330.87	7.19	-40.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020257764	1	40	-1.0	-47.55	330.93	7.22	-40.33
COC(=O)N[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257765	0	41	-1.0	-43.04	341.91	2.45	-40.59
COC(=O)N[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257765	1	41	-1.0	-43.06	341.97	2.47	-40.59
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257766	0	38	-1.0	-43.17	324.27	1.66	-41.51
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257766	1	38	-1.0	-43.19	324.33	1.69	-41.50
COC(=O)N[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257767	0	45	-1.0	-47.82	366.93	3.98	-43.84
COC(=O)N[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257767	1	45	-1.0	-47.76	366.97	3.97	-43.79
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020257768	0	42	-1.0	-46.54	333.73	5.96	-40.58
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020257768	1	42	-1.0	-46.50	333.77	5.94	-40.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020257769	0	40	-1.0	-41.41	319.49	6.30	-35.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020257769	1	40	-1.0	-41.43	319.55	6.32	-35.11
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020257770	0	44	-1.0	-44.72	356.01	8.46	-36.26
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020257770	1	44	-1.0	-44.70	356.05	8.46	-36.24
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@@H]1CC	REAL300020257771	0	48	-1.0	-41.03	390.42	7.40	-33.63
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1CC	REAL300020257771	1	48	-1.0	-41.01	390.48	7.42	-33.59
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@@H]1CC	REAL300020257772	0	45	-1.0	-43.38	370.03	6.65	-36.73
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1CC	REAL300020257772	1	45	-1.0	-43.37	370.08	6.68	-36.69
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020257773	0	48	-1.0	-43.47	378.40	6.88	-36.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020257773	1	48	-1.0	-43.45	378.46	6.90	-36.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020257774	0	45	-1.0	-46.32	357.87	6.12	-40.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020257774	1	45	-1.0	-46.35	357.93	6.15	-40.20
COCCN(CC1=CC=C(C)C=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257775	0	52	-1.0	-39.88	421.21	8.04	-31.84
COCCN(CC1=CC=C(C)C=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257775	1	52	-1.0	-39.92	421.27	8.06	-31.86
COCCN(CC1=CC=C(C)C=C1C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257776	0	49	-1.0	-41.71	400.95	7.27	-34.44
COCCN(CC1=CC=C(C)C=C1C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257776	1	49	-1.0	-41.71	401.01	7.29	-34.42
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020257777	0	40	-1.0	-44.37	339.16	6.57	-37.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020257777	1	40	-1.0	-44.35	339.21	6.59	-37.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020257778	0	37	-1.0	-43.74	319.14	5.93	-37.81
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020257778	1	37	-1.0	-43.77	319.20	5.95	-37.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020257779	0	38	-1.0	-41.71	310.79	5.82	-35.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020257779	1	38	-1.0	-41.70	310.85	5.83	-35.87
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020257780	0	42	-1.0	-44.03	343.15	7.92	-36.11
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020257780	1	42	-1.0	-44.01	343.21	7.91	-36.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020257781	0	53	-1.0	-41.82	419.69	5.29	-36.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020257781	1	53	-1.0	-41.82	419.74	5.30	-36.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020257782	0	50	-1.0	-43.15	398.19	4.50	-38.65
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020257782	1	50	-1.0	-43.17	398.24	4.53	-38.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(NC(=O)OC(C)(C)C)C(C)(C)C1	REAL300020257783	0	56	-1.0	-42.63	432.84	5.95	-36.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(NC(=O)OC(C)(C)C)C(C)(C)C1	REAL300020257783	1	56	-1.0	-42.64	432.90	5.96	-36.68
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(NC(=O)OC(C)(C)C)C(C)(C)C1	REAL300020257784	0	53	-1.0	-45.08	409.18	5.12	-39.96
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(NC(=O)OC(C)(C)C)C(C)(C)C1	REAL300020257784	1	53	-1.0	-45.06	409.24	5.15	-39.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CNC(=O)C1=CC=CC=C1O2	REAL300020257785	0	49	-1.0	-51.29	390.26	4.88	-46.41
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CNC(=O)C1=CC=CC=C1O2	REAL300020257785	1	49	-1.0	-51.31	390.31	4.90	-46.41
CC1=NC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=NO1	REAL300020257786	0	41	-1.0	-46.96	340.29	3.38	-43.58
CC1=NC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=NO1	REAL300020257786	1	41	-1.0	-46.98	340.35	3.39	-43.59
CC1=NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=NO1	REAL300020257787	0	38	-1.0	-47.46	314.55	2.18	-45.28
CC1=NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=NO1	REAL300020257787	1	38	-1.0	-47.47	314.61	2.20	-45.27
CC1=NC(C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C2)=NO1	REAL300020257788	0	45	-1.0	-48.94	372.26	5.47	-43.47
CC1=NC(C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C2)=NO1	REAL300020257788	1	45	-1.0	-49.00	372.30	5.46	-43.54
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C[C@@H]21	REAL300020257789	0	46	-1.0	-44.15	362.06	7.60	-36.55
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C[C@@H]21	REAL300020257789	1	46	-1.0	-44.19	362.11	7.61	-36.58
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C[C@@H]21	REAL300020257790	0	43	-1.0	-47.49	329.68	5.99	-41.50
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C[C@@H]21	REAL300020257790	1	43	-1.0	-47.46	329.74	6.02	-41.44
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C[C@@H]21	REAL300020257791	0	50	-1.0	-49.93	393.80	9.53	-40.40
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C[C@@H]21	REAL300020257791	1	50	-1.0	-49.94	393.83	9.51	-40.43
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1CCNC(=O)OC(C)(C)C	REAL300020257792	0	56	-1.0	-48.42	438.07	5.41	-43.01
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1CCNC(=O)OC(C)(C)C	REAL300020257792	1	56	-1.0	-48.43	438.12	5.44	-42.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(N3CCCC3=O)=CC=C21	REAL300020257793	0	48	-1.0	-49.09	382.61	10.31	-38.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(N3CCCC3=O)=CC=C21	REAL300020257793	1	48	-1.0	-49.09	382.67	10.32	-38.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(N3CCCC3=O)=CC=C21	REAL300020257794	0	45	-1.0	-51.69	360.19	9.51	-42.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(N3CCCC3=O)=CC=C21	REAL300020257794	1	45	-1.0	-51.62	360.13	9.49	-42.13
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020257795	0	37	-1.0	-39.87	332.77	6.02	-33.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020257795	1	37	-1.0	-39.91	332.83	6.03	-33.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020257796	0	34	-1.0	-40.81	301.23	4.93	-35.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020257796	1	34	-1.0	-40.79	301.29	4.95	-35.84
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020257797	0	41	-1.0	-44.79	357.02	8.48	-36.31
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020257797	1	41	-1.0	-44.75	357.05	8.47	-36.28
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257798	0	45	-1.0	-44.99	378.33	6.43	-38.56
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257798	1	45	-1.0	-45.04	378.39	6.44	-38.60
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257799	0	42	-1.0	-46.63	356.77	5.67	-40.96
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257799	1	42	-1.0	-46.61	356.83	5.69	-40.92
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020257800	0	52	-1.0	-41.34	413.61	10.51	-30.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020257800	1	52	-1.0	-41.31	413.67	10.53	-30.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020257801	0	49	-1.0	-45.10	387.11	9.80	-35.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020257801	1	49	-1.0	-45.09	387.16	9.82	-35.27
CC(C)C1C(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257802	0	52	-1.0	-41.16	391.28	8.56	-32.60
CC(C)C1C(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257802	1	52	-1.0	-41.19	391.34	8.57	-32.62
CC(C)C1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257803	0	49	-1.0	-42.80	371.36	7.86	-34.94
CC(C)C1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257803	1	49	-1.0	-42.78	371.41	7.88	-34.90
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020257804	0	39	-1.0	-46.61	315.70	5.10	-41.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020257804	1	39	-1.0	-46.66	315.75	5.12	-41.54
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC(F)F)C1CCC1	REAL300020257805	0	43	-1.0	-44.64	343.90	8.60	-36.04
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC(F)F)C1CCC1	REAL300020257805	1	43	-1.0	-44.65	343.93	8.59	-36.06
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020257806	0	45	-1.0	-47.40	365.51	3.55	-43.85
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020257806	1	45	-1.0	-47.43	365.57	3.57	-43.86
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020257807	0	42	-1.0	-49.24	344.08	2.79	-46.45
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020257807	1	42	-1.0	-49.23	344.02	2.77	-46.46
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257808	0	44	-1.0	-43.45	351.74	6.63	-36.82
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257808	1	44	-1.0	-43.38	351.79	6.62	-36.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020257809	0	47	-1.0	-41.45	373.23	7.92	-33.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020257809	1	47	-1.0	-41.45	373.29	7.93	-33.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020257810	0	44	-1.0	-42.62	351.74	7.13	-35.49
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020257810	1	44	-1.0	-42.67	351.80	7.15	-35.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020257811	0	39	-1.0	-45.28	317.46	4.18	-41.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020257811	1	39	-1.0	-45.29	317.52	4.19	-41.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020257812	0	36	-1.0	-44.54	302.81	2.99	-41.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020257812	1	36	-1.0	-44.50	302.75	2.96	-41.54
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020257813	0	43	-1.0	-48.83	349.31	6.30	-42.53
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020257813	1	43	-1.0	-48.79	349.34	6.29	-42.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020257814	0	43	-1.0	-41.62	346.10	7.28	-34.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020257814	1	43	-1.0	-41.64	346.16	7.29	-34.35
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020257815	0	40	-1.0	-44.05	324.61	6.48	-37.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020257815	1	40	-1.0	-44.05	324.67	6.51	-37.54
COCCN(CC1=CC=C(C)C(C)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257816	0	52	-1.0	-41.67	409.53	7.52	-34.15
COCCN(CC1=CC=C(C)C(C)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257816	1	52	-1.0	-41.71	409.58	7.53	-34.18
COCCN(CC1=CC=C(C)C(C)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257817	0	49	-1.0	-47.87	389.85	7.73	-40.14
COCCN(CC1=CC=C(C)C(C)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257817	1	49	-1.0	-47.88	389.90	7.76	-40.12
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020257818	0	48	-1.0	-50.64	369.69	3.72	-46.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020257818	1	48	-1.0	-50.68	369.75	3.73	-46.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020257819	0	45	-1.0	-52.70	349.27	2.96	-49.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020257819	1	45	-1.0	-52.68	349.33	2.98	-49.70
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1C	REAL300020257820	0	45	-1.0	-43.91	367.89	6.48	-37.43
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1C	REAL300020257820	1	45	-1.0	-43.90	367.94	6.50	-37.40
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1C	REAL300020257821	0	42	-1.0	-46.04	347.44	5.72	-40.32
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1C	REAL300020257821	1	42	-1.0	-46.07	347.49	5.75	-40.32
COC(=O)C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H]1C	REAL300020257822	0	49	-1.0	-45.31	400.63	8.56	-36.75
COC(=O)C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H]1C	REAL300020257822	1	49	-1.0	-45.35	400.79	8.53	-36.82
CC1=CSC(CC2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=N1	REAL300020257823	0	48	-1.0	-42.06	398.50	7.16	-34.90
CC1=CSC(CC2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=N1	REAL300020257823	1	48	-1.0	-42.07	398.56	7.18	-34.89
CC1=CSC(CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=N1	REAL300020257824	0	45	-1.0	-47.21	371.49	6.65	-40.56
CC1=CSC(CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=N1	REAL300020257824	1	45	-1.0	-47.24	371.55	6.67	-40.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=C(CCC3)S2)C1	REAL300020257825	0	49	-1.0	-45.60	397.97	8.19	-37.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=C(CCC3)S2)C1	REAL300020257825	1	49	-1.0	-45.62	398.03	8.20	-37.42
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=C(CCC3)S2)C1	REAL300020257826	0	46	-1.0	-44.74	383.17	7.14	-37.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=C(CCC3)S2)C1	REAL300020257826	1	46	-1.0	-44.76	383.23	7.17	-37.59
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020257827	0	47	-1.0	-42.66	374.29	6.44	-36.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020257827	1	47	-1.0	-42.69	374.35	6.45	-36.24
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020257828	0	44	-1.0	-45.43	353.88	5.68	-39.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020257828	1	44	-1.0	-45.46	353.94	5.70	-39.76
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257829	0	52	0.0	-66.59	366.53	7.16	-59.43
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257829	1	52	0.0	-66.57	366.58	7.18	-59.39
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257830	0	49	0.0	-66.06	350.69	7.05	-59.01
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257830	1	49	0.0	-66.06	350.75	7.07	-58.99
CCC1([NH+]2CCC2)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257831	0	56	0.0	-71.94	404.35	9.91	-62.03
CCC1([NH+]2CCC2)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257831	1	56	0.0	-71.89	404.39	9.90	-61.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020257832	0	48	-1.0	-49.24	378.40	4.25	-44.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020257832	1	48	-1.0	-49.27	378.46	4.26	-45.01
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020257833	0	45	-1.0	-49.54	350.91	3.51	-46.03
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020257833	1	45	-1.0	-49.57	350.97	3.54	-46.03
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257834	0	45	-1.0	-40.23	342.61	7.36	-32.87
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257834	1	45	-1.0	-40.23	342.66	7.37	-32.86
C[C@@H]1C[C@H](C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257835	0	49	-1.0	-41.86	377.00	8.84	-33.02
C[C@@H]1C[C@H](C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257835	1	49	-1.0	-41.83	377.06	8.83	-33.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257836	0	56	0.0	-68.05	421.03	10.29	-57.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257836	1	56	0.0	-61.06	421.86	10.21	-50.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257836	1	56	0.0	-68.11	421.09	10.30	-57.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257836	1	56	0.0	-61.02	421.92	10.22	-50.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257837	0	53	0.0	-69.13	401.94	9.60	-59.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257837	1	53	0.0	-64.20	397.41	9.33	-54.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257837	1	53	0.0	-69.16	401.99	9.62	-59.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020257837	1	53	0.0	-64.23	397.46	9.35	-54.88
CC(C)OC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257838	0	48	-1.0	-42.24	389.80	7.72	-34.52
CC(C)OC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257838	1	48	-1.0	-42.27	389.85	7.73	-34.54
CC(C)OC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257839	0	45	-1.0	-45.54	363.29	7.01	-38.53
CC(C)OC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257839	1	45	-1.0	-45.53	363.35	7.04	-38.49
CC(C)OC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257840	0	52	-1.0	-46.10	415.91	9.88	-36.22
CC(C)OC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257840	1	52	-1.0	-46.07	415.95	9.85	-36.22
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=C3C=CNC3=CC=C2)CC1	REAL300020257841	0	50	-1.0	-44.00	394.13	8.94	-35.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C3C=CNC3=CC=C2)CC1	REAL300020257841	1	50	-1.0	-44.02	394.19	8.95	-35.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C3C=CNC3=CC=C2)CC1	REAL300020257842	0	47	-1.0	-46.85	373.72	8.18	-38.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C3C=CNC3=CC=C2)CC1	REAL300020257842	1	47	-1.0	-46.87	373.77	8.20	-38.67
CCOC(=O)C1=NN2CC(C)N(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020257843	0	49	-1.0	-47.96	396.60	6.34	-41.62
CCOC(=O)C1=NN2CC(C)N(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020257843	1	49	-1.0	-47.98	396.66	6.36	-41.62
CCOC(=O)C1=NN2CC(C)N(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020257844	0	46	-1.0	-50.40	381.74	5.14	-45.26
CCOC(=O)C1=NN2CC(C)N(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020257844	1	46	-1.0	-50.41	381.79	5.16	-45.25
CN1C=CC(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=N1	REAL300020257845	0	46	-1.0	-45.98	375.33	6.64	-39.34
CN1C=CC(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=N1	REAL300020257845	1	46	-1.0	-45.99	375.39	6.66	-39.33
CN1C=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=N1	REAL300020257846	0	43	-1.0	-47.35	353.84	5.86	-41.49
CN1C=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=N1	REAL300020257846	1	43	-1.0	-47.33	353.90	5.88	-41.45
CN1C=CC(C2CCCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C2)=N1	REAL300020257847	0	50	-1.0	-48.77	401.88	8.69	-40.08
CN1C=CC(C2CCCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C2)=N1	REAL300020257847	1	50	-1.0	-48.79	401.92	8.68	-40.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020257848	0	45	-1.0	-41.93	371.43	7.01	-34.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020257848	1	45	-1.0	-41.88	371.49	7.03	-34.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020257849	0	42	-1.0	-46.97	349.68	6.05	-40.92
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020257849	1	42	-1.0	-47.00	349.73	6.08	-40.92
COC(=O)[C@@H]1CCO[C@H]1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257850	0	53	-1.0	-45.01	414.27	6.93	-38.08
COC(=O)[C@@H]1CCO[C@H]1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257850	1	53	-1.0	-44.99	414.33	6.95	-38.04
COC(=O)[C@@H]1CCO[C@H]1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257851	0	50	-1.0	-46.16	392.77	6.14	-40.02
COC(=O)[C@@H]1CCO[C@H]1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257851	1	50	-1.0	-46.18	392.83	6.16	-40.02
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020257852	0	48	-1.0	-45.31	388.98	0.44	-44.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020257852	1	48	-1.0	-45.33	389.04	0.45	-44.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020257853	0	45	-1.0	-47.71	367.48	-0.36	-48.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020257853	1	45	-1.0	-47.71	367.54	-0.33	-48.04
C=CCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257854	0	44	-1.0	-42.42	353.46	4.17	-38.25
C=CCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257854	1	44	-1.0	-42.36	353.51	4.18	-38.18
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257855	0	41	-1.0	-45.49	326.20	3.50	-41.99
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257855	1	41	-1.0	-45.51	326.26	3.53	-41.98
C=CCC1(O)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020257856	0	48	-1.0	-45.06	378.54	6.37	-38.69
C=CCC1(O)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020257856	1	48	-1.0	-45.04	378.58	6.36	-38.68
CN(CCCF)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257857	0	39	-1.0	-42.46	330.04	6.97	-35.49
CN(CCCF)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257857	1	39	-1.0	-42.44	330.08	6.96	-35.48
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020257858	0	46	-1.0	-51.02	388.31	5.89	-45.13
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020257858	1	46	-1.0	-51.00	388.25	5.88	-45.12
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020257859	0	43	-1.0	-53.48	367.80	5.14	-48.34
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020257859	1	43	-1.0	-53.46	367.74	5.12	-48.34
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC3=C2NC(=O)N3)CC1	REAL300020257860	0	49	-1.0	-47.84	396.49	3.38	-44.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC3=C2NC(=O)N3)CC1	REAL300020257860	1	49	-1.0	-47.88	396.54	3.40	-44.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC3=C2NC(=O)N3)CC1	REAL300020257861	0	46	-1.0	-50.60	373.90	2.56	-48.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC3=C2NC(=O)N3)CC1	REAL300020257861	1	46	-1.0	-50.59	373.96	2.59	-48.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=NC2=CC=CC=C2S1)C1CC1	REAL300020257862	0	45	-1.0	-43.49	386.96	8.19	-35.30
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=NC2=CC=CC=C2S1)C1CC1	REAL300020257862	1	45	-1.0	-43.50	387.02	8.21	-35.29
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=NC2=CC=CC=C2S1)C1CC1	REAL300020257863	0	42	-1.0	-44.49	364.24	7.68	-36.81
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=NC2=CC=CC=C2S1)C1CC1	REAL300020257863	1	42	-1.0	-44.54	364.30	7.71	-36.83
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020257864	0	46	-1.0	-42.20	370.54	9.06	-33.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020257864	1	46	-1.0	-42.18	370.60	9.07	-33.11
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020257865	0	43	-1.0	-45.66	349.04	8.29	-37.37
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020257865	1	43	-1.0	-45.68	348.98	8.26	-37.42
CC(C)N(CCN(C)C(=O)OC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257866	0	58	-1.0	-47.98	444.73	6.60	-41.38
CC(C)N(CCN(C)C(=O)OC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257866	1	58	-1.0	-48.02	444.78	6.61	-41.41
CC(C)N(CCN(C)C(=O)OC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257867	0	55	-1.0	-57.04	423.75	5.92	-51.12
CC(C)N(CCN(C)C(=O)OC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257867	1	55	-1.0	-57.04	423.80	5.95	-51.09
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020257868	0	43	-1.0	-46.50	349.81	8.02	-38.48
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020257868	1	43	-1.0	-46.52	349.76	8.01	-38.51
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020257869	0	40	-1.0	-48.69	329.31	7.27	-41.42
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020257869	1	40	-1.0	-48.67	329.25	7.25	-41.42
CN1C(NC2=CN(C3CCCC3)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020257870	0	47	-1.0	-49.04	381.59	10.10	-38.94
CN1C(NC2=CN(C3CCCC3)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020257870	1	47	-1.0	-49.05	381.54	10.10	-38.95
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=C(C#N)C=N2)C1	REAL300020257871	0	48	-1.0	-45.46	395.06	6.81	-38.65
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=C(C#N)C=N2)C1	REAL300020257871	1	48	-1.0	-45.42	395.00	6.80	-38.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=C(C#N)C=N2)C1	REAL300020257872	0	45	-1.0	-47.20	371.00	5.51	-41.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=C(C#N)C=N2)C1	REAL300020257872	1	45	-1.0	-47.18	370.95	5.49	-41.69
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020257873	0	40	-1.0	-39.32	341.53	4.97	-34.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020257873	1	40	-1.0	-39.36	341.58	4.99	-34.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020257874	0	37	-1.0	-41.44	320.03	4.17	-37.27
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020257874	1	37	-1.0	-41.50	320.08	4.19	-37.31
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020257875	0	44	-1.0	-42.89	367.64	7.12	-35.77
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020257875	1	44	-1.0	-42.82	367.70	7.10	-35.72
CC1=NC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=NO1	REAL300020257876	0	47	-1.0	-45.28	379.40	5.28	-40.00
CC1=NC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=NO1	REAL300020257876	1	47	-1.0	-45.29	379.46	5.29	-40.00
CC1=NC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=NO1	REAL300020257877	0	44	-1.0	-47.26	363.00	4.41	-42.85
CC1=NC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=NO1	REAL300020257877	1	44	-1.0	-47.26	363.05	4.44	-42.82
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC2=CC=C(Cl)C=C2)C1	REAL300020257878	0	48	-1.0	-44.04	396.14	7.83	-36.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC2=CC=C(Cl)C=C2)C1	REAL300020257878	1	48	-1.0	-43.99	396.19	7.86	-36.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CN=CC(Br)=C1	REAL300020257879	0	39	-1.0	-45.92	346.63	6.81	-39.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CN=CC(Br)=C1	REAL300020257879	1	39	-1.0	-45.92	346.57	6.78	-39.14
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NC=C(Br)C=N1	REAL300020257880	0	38	-1.0	-43.55	344.68	5.35	-38.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NC=C(Br)C=N1	REAL300020257880	1	38	-1.0	-43.56	344.74	5.38	-38.18
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257881	0	49	-1.0	-41.11	372.53	9.55	-31.56
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257881	1	49	-1.0	-41.06	372.59	9.57	-31.49
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257882	0	46	-1.0	-49.47	349.04	8.10	-41.37
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257882	1	46	-1.0	-49.44	349.09	8.12	-41.32
CC(C)C1=NN=C2C(C)N(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCN12	REAL300020257883	0	48	-1.0	-47.89	380.26	7.46	-40.43
CC(C)C1=NN=C2C(C)N(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCN12	REAL300020257883	1	48	-1.0	-47.91	380.32	7.48	-40.43
CC(C)C1=NN=C2C(C)N(C3=NN=C(CC4=N[N-]N=N4)N3C)CCN12	REAL300020257884	0	45	-1.0	-48.40	360.22	5.45	-42.95
CC(C)C1=NN=C2C(C)N(C3=NN=C(CC4=NN=N[N-]4)N3C)CCN12	REAL300020257884	1	45	-1.0	-48.38	360.28	5.47	-42.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020257885	0	46	-1.0	-41.59	375.84	9.50	-32.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020257885	1	46	-1.0	-41.62	375.90	9.51	-32.11
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020257886	0	43	-1.0	-43.89	363.92	8.28	-35.61
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020257886	1	43	-1.0	-43.86	363.86	8.25	-35.61
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020257887	0	50	-1.0	-43.78	408.02	11.64	-32.14
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020257887	1	50	-1.0	-43.77	408.07	11.62	-32.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020257888	0	50	-1.0	-42.33	377.06	6.71	-35.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020257888	1	50	-1.0	-42.27	377.11	6.73	-35.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020257889	0	47	-1.0	-45.45	355.56	5.93	-39.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020257889	1	47	-1.0	-45.46	355.62	5.95	-39.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020257890	0	54	-1.0	-43.35	412.33	8.76	-34.59
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020257890	1	54	-1.0	-43.37	412.37	8.75	-34.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)N2CCCCC2)CC1	REAL300020257891	0	51	-1.0	-48.08	400.02	4.68	-43.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)N2CCCCC2)CC1	REAL300020257891	1	51	-1.0	-48.11	400.07	4.70	-43.41
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020257892	0	41	-1.0	-47.66	341.13	-0.46	-48.12
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020257892	1	41	-1.0	-47.65	341.19	-0.44	-48.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020257893	0	38	-1.0	-46.67	325.52	-1.36	-48.03
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020257893	1	38	-1.0	-46.63	325.57	-1.33	-47.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020257894	0	41	-1.0	-49.58	355.28	2.26	-47.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020257894	1	41	-1.0	-49.56	355.33	2.28	-47.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020257895	0	38	-1.0	-58.91	324.21	1.21	-57.70
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020257895	1	38	-1.0	-58.89	324.27	1.23	-57.66
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020257896	0	40	-1.0	-43.59	329.32	6.51	-37.08
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020257896	1	40	-1.0	-43.59	329.37	6.52	-37.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020257897	0	37	-1.0	-45.21	305.83	5.68	-39.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020257897	1	37	-1.0	-45.24	305.89	5.70	-39.54
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020257898	0	44	-1.0	-46.41	360.93	8.60	-37.81
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020257898	1	44	-1.0	-46.36	360.96	8.60	-37.76
CC1=CSC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=N1	REAL300020257899	0	45	-1.0	-42.22	376.53	6.69	-35.53
CC1=CSC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=N1	REAL300020257899	1	45	-1.0	-42.20	376.58	6.70	-35.50
CC1=CSC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=N1	REAL300020257900	0	42	-1.0	-44.28	355.02	5.90	-38.38
CC1=CSC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=N1	REAL300020257900	1	42	-1.0	-44.29	355.07	5.93	-38.36
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257901	0	39	-1.0	-48.21	330.28	4.13	-44.08
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257901	1	39	-1.0	-48.20	330.34	4.15	-44.05
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257902	0	36	-1.0	-50.25	308.38	3.24	-47.01
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257902	1	36	-1.0	-50.25	308.32	3.22	-47.03
CN(CC1=CC=CC(=O)N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257903	0	43	-1.0	-50.72	360.80	6.19	-44.53
CN(CC1=CC=CC(=O)N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257903	1	43	-1.0	-50.71	360.84	6.19	-44.52
CC1=CC2=C(C=C1Br)CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020257904	0	40	-1.0	-45.34	343.28	6.83	-38.51
CC1=CC2=C(C=C1Br)CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020257904	1	40	-1.0	-45.34	343.34	6.85	-38.49
CN(CC1=NC(C2=CC=CS2)=NO1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257905	0	41	-1.0	-41.40	372.39	4.62	-36.78
CN(CC1=NC(C2=CC=CS2)=NO1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257905	1	41	-1.0	-41.42	372.33	4.60	-36.82
CN(CC1=NC(C2=CC=CS2)=NO1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257906	0	38	-1.0	-42.65	351.94	3.89	-38.76
CN(CC1=NC(C2=CC=CS2)=NO1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257906	1	38	-1.0	-42.65	351.88	3.87	-38.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(Br)C=C2C1	REAL300020257907	0	37	-1.0	-45.40	330.77	6.32	-39.08
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(Br)C=C2C1	REAL300020257907	1	37	-1.0	-45.37	330.83	6.33	-39.04
C#CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCCC2=CC=CC=C21	REAL300020257908	0	48	-1.0	-41.83	383.51	8.98	-32.85
C#CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCCC2=CC=CC=C21	REAL300020257908	1	48	-1.0	-41.86	383.57	8.99	-32.87
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCCC2=CC=CC=C21	REAL300020257909	0	45	-1.0	-42.39	367.65	9.26	-33.13
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCCC2=CC=CC=C21	REAL300020257909	1	45	-1.0	-42.36	367.59	9.23	-33.13
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)O1	REAL300020257910	0	42	-1.0	-41.85	368.12	5.93	-35.92
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)O1	REAL300020257910	1	42	-1.0	-41.83	368.18	5.95	-35.88
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)O1	REAL300020257911	0	39	-1.0	-43.34	339.87	5.40	-37.94
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)O1	REAL300020257911	1	39	-1.0	-43.35	339.93	5.42	-37.93
COC(=O)C1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)O1	REAL300020257912	0	46	-1.0	-45.04	393.26	8.31	-36.73
COC(=O)C1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)O1	REAL300020257912	1	46	-1.0	-45.00	393.29	8.30	-36.70
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020257913	0	40	-1.0	-47.17	332.29	7.35	-39.82
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020257913	1	40	-1.0	-47.17	332.24	7.34	-39.83
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020257914	0	37	-1.0	-49.23	311.79	6.60	-42.63
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020257914	1	37	-1.0	-49.21	311.73	6.58	-42.63
CN1C(NC2=CN(C3CCC3)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020257915	0	44	-1.0	-49.62	364.42	9.42	-40.20
CN1C(NC2=CN(C3CCC3)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020257915	1	44	-1.0	-49.60	364.37	9.43	-40.17
COC1(C(F)(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257916	0	37	-1.0	-40.10	319.29	3.09	-37.01
COC1(C(F)(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257916	1	37	-1.0	-40.10	319.35	3.10	-37.00
COC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257917	0	34	-1.0	-41.43	297.79	2.29	-39.14
COC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257917	1	34	-1.0	-41.39	297.85	2.32	-39.07
COC1(C(F)(F)F)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257918	0	41	-1.0	-42.56	351.62	5.03	-37.53
COC1(C(F)(F)F)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257918	1	41	-1.0	-42.52	351.66	5.02	-37.50
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020257919	0	46	-1.0	-43.64	355.69	6.42	-37.22
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020257919	1	46	-1.0	-43.67	355.63	6.41	-37.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020257920	0	43	-1.0	-46.82	333.56	5.86	-40.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020257920	1	43	-1.0	-46.83	333.51	5.84	-40.99
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020257921	0	50	-1.0	-45.65	390.12	8.57	-37.08
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020257921	1	50	-1.0	-45.67	390.10	8.58	-37.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020257922	0	43	-1.0	-40.65	321.13	8.28	-32.37
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020257922	1	43	-1.0	-40.68	321.19	8.29	-32.39
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020257923	0	47	-1.0	-43.12	353.05	10.38	-32.74
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020257923	1	47	-1.0	-43.09	353.11	10.37	-32.72
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020257924	0	46	0.0	-67.24	351.14	6.91	-60.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020257924	1	46	0.0	-67.11	349.83	6.31	-60.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020257924	1	46	0.0	-67.28	351.20	6.92	-60.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020257924	1	46	0.0	-67.06	349.89	6.32	-60.74
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020257925	0	43	0.0	-67.17	329.64	6.11	-61.06
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020257925	1	43	0.0	-63.84	328.33	5.52	-58.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020257925	1	43	0.0	-67.20	329.70	6.14	-61.06
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020257925	1	43	0.0	-63.85	328.38	5.55	-58.30
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020257926	0	50	0.0	-72.90	382.82	9.01	-63.89
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020257926	1	50	0.0	-72.36	383.70	8.44	-63.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020257926	1	50	0.0	-72.90	382.84	9.00	-63.90
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020257926	1	50	0.0	-72.33	383.75	8.44	-63.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020257927	0	44	-1.0	-43.70	347.46	2.74	-40.96
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020257927	1	44	-1.0	-43.68	347.52	2.75	-40.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020257928	0	41	-1.0	-44.58	324.20	1.89	-42.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020257928	1	41	-1.0	-44.58	324.26	1.92	-42.66
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020257929	0	48	-1.0	-46.24	381.67	4.87	-41.37
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020257929	1	48	-1.0	-46.21	381.71	4.87	-41.34
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257930	0	45	-1.0	-39.71	360.34	7.82	-31.89
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257930	1	45	-1.0	-39.74	360.39	7.83	-31.91
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257931	0	42	-1.0	-44.29	332.32	7.35	-36.94
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257931	1	42	-1.0	-44.29	332.27	7.33	-36.96
CC1=CC=CC(C)=C1CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257932	0	49	-1.0	-43.35	384.43	10.22	-33.13
CC1=CC=CC(C)=C1CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257932	1	49	-1.0	-43.33	384.46	10.21	-33.12
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257933	0	45	-1.0	-44.99	378.33	6.43	-38.56
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257933	1	45	-1.0	-45.04	378.39	6.44	-38.60
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257934	0	42	-1.0	-46.63	356.77	5.67	-40.96
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257934	1	42	-1.0	-46.61	356.83	5.69	-40.92
CN(CC1=CC(C#N)=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257935	0	37	-1.0	-42.70	333.80	6.68	-36.02
CN(CC1=CC(C#N)=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257935	1	37	-1.0	-42.67	333.86	6.70	-35.97
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257936	0	34	-1.0	-44.48	313.31	5.96	-38.52
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257936	1	34	-1.0	-44.45	313.26	5.93	-38.52
CN(CC1=CC(C#N)=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257937	0	41	-1.0	-45.52	365.64	8.82	-36.70
CN(CC1=CC(C#N)=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257937	1	41	-1.0	-45.48	365.68	8.80	-36.68
CN(CCN1CCNC(=O)C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020257938	0	45	-1.0	-49.15	358.48	1.11	-48.04
CN(CCN1CCNC(=O)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020257938	1	45	-1.0	-49.13	358.53	1.13	-48.00
CN(CCN1CCNC(=O)C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020257939	0	42	-1.0	-48.55	338.75	-0.25	-48.80
CN(CCN1CCNC(=O)C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020257939	1	42	-1.0	-48.52	338.81	-0.23	-48.75
CN(CCN1CCNC(=O)C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020257940	0	49	-1.0	-51.55	391.61	3.08	-48.47
CN(CCN1CCNC(=O)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020257940	1	49	-1.0	-51.49	391.64	3.06	-48.43
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020257941	0	41	-1.0	-43.75	326.55	7.89	-35.86
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020257941	1	41	-1.0	-43.76	326.59	7.87	-35.89
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1CS(N)(=O)=O	REAL300020257942	0	44	-1.0	-50.96	369.14	0.81	-50.15
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1CS(N)(=O)=O	REAL300020257942	1	44	-1.0	-51.01	369.20	0.82	-50.19
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1CS(N)(=O)=O	REAL300020257943	0	41	-1.0	-52.60	348.70	0.05	-52.55
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1CS(N)(=O)=O	REAL300020257943	1	41	-1.0	-52.67	348.76	0.07	-52.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020257944	0	45	-1.0	-41.92	339.48	7.23	-34.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020257944	1	45	-1.0	-41.93	339.54	7.24	-34.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020257945	0	42	-1.0	-44.71	318.99	6.48	-38.23
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020257945	1	42	-1.0	-44.78	319.05	6.50	-38.28
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020257946	0	49	-1.0	-43.95	372.86	9.36	-34.59
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020257946	1	49	-1.0	-43.93	372.92	9.36	-34.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020257947	0	47	-1.0	-40.50	351.38	7.41	-33.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020257947	1	47	-1.0	-40.50	351.44	7.43	-33.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020257948	0	44	-1.0	-44.60	323.78	6.61	-37.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020257948	1	44	-1.0	-44.57	323.83	6.63	-37.94
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020257949	0	51	-1.0	-43.36	377.69	9.44	-33.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020257949	1	51	-1.0	-43.29	377.59	9.36	-33.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C(F)(F)F)=N2)C1	REAL300020257950	0	44	-1.0	-45.13	379.31	6.36	-38.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C(F)(F)F)=N2)C1	REAL300020257950	1	44	-1.0	-45.13	379.37	6.37	-38.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C(F)(F)F)=N2)C1	REAL300020257951	0	41	-1.0	-48.24	354.97	5.49	-42.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C(F)(F)F)=N2)C1	REAL300020257951	1	41	-1.0	-48.25	355.03	5.51	-42.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020257952	0	40	-1.0	-49.25	332.99	2.21	-47.04
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020257952	1	40	-1.0	-49.24	333.05	2.22	-47.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020257953	0	37	-1.0	-49.94	309.38	1.36	-48.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020257953	1	37	-1.0	-49.98	309.44	1.39	-48.59
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020257954	0	44	-1.0	-51.86	362.23	4.21	-47.65
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020257954	1	44	-1.0	-51.82	362.28	4.20	-47.62
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020257955	0	47	-1.0	-42.31	381.74	8.49	-33.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020257955	1	47	-1.0	-42.27	381.80	8.50	-33.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020257956	0	44	-1.0	-45.43	360.50	7.73	-37.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020257956	1	44	-1.0	-45.45	360.44	7.70	-37.75
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020257957	0	51	-1.0	-44.65	414.26	10.63	-34.02
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020257957	1	51	-1.0	-44.63	414.31	10.63	-34.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020257958	0	42	-1.0	-43.72	333.76	4.14	-39.58
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020257958	1	42	-1.0	-43.69	333.81	4.16	-39.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020257959	0	39	-1.0	-46.08	314.31	3.35	-42.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020257959	1	39	-1.0	-46.07	314.37	3.37	-42.70
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1OCCO1	REAL300020257960	0	46	-1.0	-46.55	369.70	6.28	-40.27
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1OCCO1	REAL300020257960	1	46	-1.0	-46.51	369.75	6.27	-40.24
CN1N=NC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020257961	0	39	-1.0	-46.29	322.60	4.07	-42.22
CN1N=NC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020257961	1	39	-1.0	-46.29	322.66	4.08	-42.21
CN1N=NC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020257962	0	36	-1.0	-47.53	301.16	3.31	-44.22
CN1N=NC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020257962	1	36	-1.0	-47.57	301.10	3.28	-44.29
CN1N=NC2=C1CCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020257963	0	43	-1.0	-52.42	352.01	4.98	-47.44
CN1N=NC2=C1CCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020257963	1	43	-1.0	-52.35	352.04	4.98	-47.37
COC1=C(Cl)C=C2NC3=C(CN(C4=NN=C(CC5=N[N-]N=N5)N4C)CC3)C2=C1	REAL300020257964	0	45	-1.0	-44.72	388.51	6.46	-38.26
COC1=C(Cl)C=C2NC3=C(CN(C4=NN=C(CC5=NN=N[N-]5)N4C)CC3)C2=C1	REAL300020257964	1	45	-1.0	-44.72	388.56	6.49	-38.23
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257965	0	42	-1.0	-44.81	345.83	6.17	-38.64
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257965	1	42	-1.0	-44.81	345.89	6.19	-38.62
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257966	0	39	-1.0	-49.20	325.46	5.41	-43.79
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257966	1	39	-1.0	-49.16	325.52	5.44	-43.72
CCOC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020257967	0	46	-1.0	-47.58	377.69	8.28	-39.30
CCOC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020257967	1	46	-1.0	-47.50	377.71	8.26	-39.24
CCOC(=O)C1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257968	0	45	-1.0	-46.49	371.28	6.93	-39.56
CCOC(=O)C1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257968	1	45	-1.0	-46.49	371.33	6.96	-39.53
COC(=O)C1=CC=CC2=C1OCCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020257969	0	47	-1.0	-45.72	376.92	6.88	-38.84
COC(=O)C1=CC=CC2=C1OCCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020257969	1	47	-1.0	-45.74	376.98	6.89	-38.85
COC(=O)C1=CC=CC2=C1OCCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020257970	0	44	-1.0	-49.73	355.43	6.09	-43.64
COC(=O)C1=CC=CC2=C1OCCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020257970	1	44	-1.0	-49.77	355.49	6.11	-43.66
COC(=O)C1=CN=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)S1	REAL300020257971	0	45	-1.0	-46.74	389.98	6.05	-40.69
COC(=O)C1=CN=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)S1	REAL300020257971	1	45	-1.0	-46.76	390.04	6.06	-40.70
COC(=O)C1=CN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)S1	REAL300020257972	0	42	-1.0	-47.45	364.26	4.85	-42.60
COC(=O)C1=CN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)S1	REAL300020257972	1	42	-1.0	-47.49	364.32	4.87	-42.62
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020257973	0	42	-1.0	-53.32	338.92	2.41	-50.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020257973	1	42	-1.0	-53.30	338.98	2.43	-50.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020257974	0	39	-1.0	-54.51	317.42	1.63	-52.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020257974	1	39	-1.0	-54.51	317.48	1.65	-52.86
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020257975	0	46	-1.0	-55.73	371.69	4.39	-51.34
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020257975	1	46	-1.0	-55.69	371.73	4.38	-51.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020257976	0	45	-1.0	-54.57	352.31	3.47	-51.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020257976	1	45	-1.0	-54.59	352.37	3.48	-51.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020257977	0	42	-1.0	-55.92	331.91	2.71	-53.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020257977	1	42	-1.0	-55.96	331.96	2.73	-53.23
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020257978	0	49	-1.0	-56.21	384.53	5.57	-50.64
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020257978	1	49	-1.0	-56.20	384.59	5.55	-50.65
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020257979	0	45	-1.0	-50.08	354.32	3.75	-46.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020257979	1	45	-1.0	-50.07	354.38	3.76	-46.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020257980	0	42	-1.0	-50.95	332.79	2.96	-47.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020257980	1	42	-1.0	-50.87	332.85	2.99	-47.88
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020257981	0	49	-1.0	-51.36	393.02	5.65	-45.71
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020257981	1	49	-1.0	-51.25	393.08	5.63	-45.62
CC(C)CNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257982	0	52	-1.0	-45.76	406.56	6.03	-39.73
CC(C)CNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257982	1	52	-1.0	-45.78	406.62	6.04	-39.74
CC(C)CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257983	0	49	-1.0	-47.40	386.16	5.27	-42.13
CC(C)CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257983	1	49	-1.0	-47.38	386.22	5.29	-42.09
CCC1(C(=O)OC(C)(C)C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020257984	0	57	-1.0	-44.45	421.46	8.97	-35.48
CCC1(C(=O)OC(C)(C)C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020257984	1	57	-1.0	-44.45	421.52	8.99	-35.46
CCC1(C(=O)OC(C)(C)C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020257985	0	54	-1.0	-49.37	399.96	8.19	-41.18
CCC1(C(=O)OC(C)(C)C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020257985	1	54	-1.0	-49.40	400.02	8.21	-41.19
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CO)(NC(=O)OC(C)(C)C)C1	REAL300020257986	0	54	-1.0	-47.60	418.95	1.90	-45.70
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CO)(NC(=O)OC(C)(C)C)C1	REAL300020257986	1	54	-1.0	-47.58	419.01	1.92	-45.66
CCS(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020257987	0	44	-1.0	-50.13	363.84	2.90	-47.23
CCS(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020257987	1	44	-1.0	-50.08	363.90	2.92	-47.16
CCS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020257988	0	41	-1.0	-51.64	342.35	2.12	-49.52
CCS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020257988	1	41	-1.0	-51.68	342.40	2.14	-49.54
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCNC(=O)OC(C)(C)C)C1	REAL300020257989	0	56	-1.0	-44.62	442.20	5.73	-38.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCNC(=O)OC(C)(C)C)C1	REAL300020257989	1	56	-1.0	-44.63	442.26	5.74	-38.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCNC(=O)OC(C)(C)C)C1	REAL300020257990	0	53	-1.0	-47.81	410.13	4.35	-43.46
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCNC(=O)OC(C)(C)C)C1	REAL300020257990	1	53	-1.0	-47.81	410.19	4.37	-43.44
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCC1CNC(=O)OC(C)(C)C	REAL300020257991	0	56	-1.0	-45.74	428.09	5.65	-40.09
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCC1CNC(=O)OC(C)(C)C	REAL300020257991	1	56	-1.0	-45.73	428.15	5.68	-40.05
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020257992	0	41	-1.0	-48.50	323.37	1.61	-46.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020257992	1	41	-1.0	-48.53	323.44	1.63	-46.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020257993	0	38	-1.0	-50.63	304.97	0.85	-49.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020257993	1	38	-1.0	-50.65	304.91	0.84	-49.81
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020257994	0	45	-1.0	-43.34	353.04	3.62	-39.72
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020257994	1	45	-1.0	-43.33	353.08	3.61	-39.72
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020257995	0	41	-1.0	-49.73	345.46	0.28	-49.45
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020257995	1	41	-1.0	-49.75	345.51	0.29	-49.46
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020257996	0	38	-1.0	-51.30	325.07	-0.48	-51.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020257996	1	38	-1.0	-51.25	325.13	-0.46	-51.71
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020257997	0	45	-1.0	-52.30	377.17	2.39	-49.91
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020257997	1	45	-1.0	-52.31	377.19	2.38	-49.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020257998	0	40	-1.0	-47.26	344.86	5.12	-42.14
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020257998	1	40	-1.0	-47.23	344.80	5.11	-42.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020257999	0	37	-1.0	-48.33	323.38	4.34	-43.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020257999	1	37	-1.0	-48.32	323.32	4.30	-44.02
CSCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258000	0	43	-1.0	-41.56	350.57	7.27	-34.29
CSCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258000	1	43	-1.0	-41.63	350.62	7.28	-34.35
CSCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258001	0	40	-1.0	-43.90	330.17	6.51	-37.39
CSCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258001	1	40	-1.0	-43.91	330.23	6.54	-37.37
CSCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020258002	0	47	-1.0	-43.81	382.52	9.37	-34.44
CSCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020258002	1	47	-1.0	-43.72	382.57	9.37	-34.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020258003	0	41	-1.0	-49.75	355.29	2.11	-47.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020258003	1	41	-1.0	-49.72	355.35	2.13	-47.59
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020258004	0	38	-1.0	-50.04	328.08	1.40	-48.64
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020258004	1	38	-1.0	-50.02	328.14	1.42	-48.60
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020258005	0	44	-1.0	-45.40	358.20	6.70	-38.70
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020258005	1	44	-1.0	-45.37	358.23	6.69	-38.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1	REAL300020258006	0	55	-1.0	-40.19	425.56	9.20	-30.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1	REAL300020258006	1	55	-1.0	-40.23	425.61	9.22	-31.01
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1	REAL300020258007	0	52	-1.0	-44.82	400.06	7.88	-36.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1	REAL300020258007	1	52	-1.0	-44.77	400.12	7.91	-36.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020258008	0	40	-1.0	-42.03	348.79	5.60	-36.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020258008	1	40	-1.0	-42.00	348.85	5.61	-36.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020258009	0	37	-1.0	-43.67	327.30	4.81	-38.86
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020258009	1	37	-1.0	-43.69	327.35	4.84	-38.85
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020258010	0	44	-1.0	-42.52	359.15	6.69	-35.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020258010	1	44	-1.0	-42.51	359.20	6.70	-35.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020258011	0	41	-1.0	-42.56	343.01	5.61	-36.95
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020258011	1	41	-1.0	-42.54	343.06	5.64	-36.90
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020258012	0	48	-1.0	-43.90	396.38	8.49	-35.41
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020258012	1	48	-1.0	-43.90	396.42	8.47	-35.43
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1NC(=O)OC(C)(C)C	REAL300020258013	0	53	-1.0	-42.83	413.59	5.00	-37.83
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1NC(=O)OC(C)(C)C	REAL300020258013	1	53	-1.0	-42.87	413.64	5.01	-37.86
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1NC(=O)OC(C)(C)C	REAL300020258014	0	50	-1.0	-46.44	398.17	4.30	-42.14
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1NC(=O)OC(C)(C)C	REAL300020258014	1	50	-1.0	-46.45	398.23	4.33	-42.12
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1CNC(=O)OC(C)(C)C	REAL300020258015	0	56	-1.0	-45.18	440.93	5.49	-39.69
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1CNC(=O)OC(C)(C)C	REAL300020258015	1	56	-1.0	-45.19	440.99	5.51	-39.68
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1CNC(=O)OC(C)(C)C	REAL300020258016	0	53	-1.0	-47.62	418.76	4.83	-42.79
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1CNC(=O)OC(C)(C)C	REAL300020258016	1	53	-1.0	-47.68	418.82	4.86	-42.82
CCC1(C(=O)OC(C)(C)C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258017	0	57	-1.0	-44.45	421.46	8.97	-35.48
CCC1(C(=O)OC(C)(C)C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258017	1	57	-1.0	-44.45	421.52	8.99	-35.46
CCC1(C(=O)OC(C)(C)C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258018	0	54	-1.0	-49.37	399.96	8.19	-41.18
CCC1(C(=O)OC(C)(C)C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258018	1	54	-1.0	-49.40	400.02	8.21	-41.19
COC1=CC=CC(C2(F)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=C1	REAL300020258019	0	47	-1.0	-45.13	379.56	7.37	-37.76
COC1=CC=CC(C2(F)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=C1	REAL300020258019	1	47	-1.0	-45.11	379.62	7.38	-37.73
COC1=CC=CC(C2(F)CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=C1	REAL300020258020	0	44	-1.0	-46.51	358.22	6.51	-40.00
COC1=CC=CC(C2(F)CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=C1	REAL300020258020	1	44	-1.0	-46.48	358.27	6.53	-39.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=NN=C(C3CC3)N2)[C@H](C2CC2)C1	REAL300020258021	0	53	-1.0	-42.44	427.56	8.88	-33.56
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=NN=C(C3CC3)N2)[C@H](C2CC2)C1	REAL300020258021	1	53	-1.0	-42.47	427.62	8.90	-33.57
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=NN=C(C3CC3)N2)[C@H](C2CC2)C1	REAL300020258022	0	50	-1.0	-46.05	402.76	8.33	-37.72
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=NN=C(C3CC3)N2)[C@H](C2CC2)C1	REAL300020258022	1	50	-1.0	-46.05	402.81	8.36	-37.69
CCN(CCC(=O)NC)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258023	0	42	-1.0	-51.35	338.71	2.27	-49.08
CCN(CCC(=O)NC)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258023	1	42	-1.0	-51.36	338.77	2.29	-49.07
CCN(CCC(=O)NC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258024	0	46	-1.0	-53.84	370.75	4.36	-49.48
CCN(CCC(=O)NC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258024	1	46	-1.0	-53.81	370.79	4.35	-49.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020258025	0	49	-1.0	-42.08	389.51	7.07	-35.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020258025	1	49	-1.0	-42.11	389.57	7.08	-35.03
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020258026	0	46	-1.0	-44.30	368.01	6.29	-38.01
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020258026	1	46	-1.0	-44.31	368.07	6.31	-38.00
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1	REAL300020258027	0	54	-1.0	-58.48	409.06	6.63	-51.85
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1	REAL300020258027	1	54	-1.0	-58.52	409.12	6.65	-51.87
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=C(CCC3)S2)CC1	REAL300020258028	0	49	-1.0	-41.94	404.86	7.96	-33.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=C(CCC3)S2)CC1	REAL300020258028	1	49	-1.0	-41.91	404.92	7.97	-33.94
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=C(CCC3)S2)CC1	REAL300020258029	0	46	-1.0	-44.28	383.36	7.16	-37.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=C(CCC3)S2)CC1	REAL300020258029	1	46	-1.0	-44.28	383.42	7.19	-37.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC3=C(CCC3)S2)CC1	REAL300020258030	0	52	-1.0	-44.65	422.00	8.82	-35.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC3=C(CCC3)S2)CC1	REAL300020258030	1	52	-1.0	-44.64	422.06	8.83	-35.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC3=C(CCC3)S2)CC1	REAL300020258031	0	49	-1.0	-47.01	400.49	8.02	-38.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC3=C(CCC3)S2)CC1	REAL300020258031	1	49	-1.0	-47.04	400.55	8.05	-38.99
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020258032	0	43	-1.0	-42.18	347.87	7.50	-34.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020258032	1	43	-1.0	-42.19	347.92	7.51	-34.68
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020258033	0	40	-1.0	-44.56	325.32	6.69	-37.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020258033	1	40	-1.0	-44.56	325.37	6.72	-37.84
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020258034	0	47	-1.0	-45.02	369.67	9.52	-35.50
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020258034	1	47	-1.0	-44.98	369.71	9.51	-35.47
COC1=CC=CC=C1NC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258035	0	51	-1.0	-50.82	414.66	5.70	-45.12
COC1=CC=CC=C1NC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258035	1	51	-1.0	-50.82	414.72	5.72	-45.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020258036	0	37	-1.0	-42.50	316.09	5.62	-36.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020258036	1	37	-1.0	-42.51	316.15	5.63	-36.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020258037	0	34	-1.0	-44.90	294.65	4.86	-40.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020258037	1	34	-1.0	-44.91	294.59	4.83	-40.08
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020258038	0	41	-1.0	-44.96	346.71	7.67	-37.29
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020258038	1	41	-1.0	-44.96	346.76	7.65	-37.31
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258039	0	52	-1.0	-41.21	407.27	10.05	-31.16
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258039	1	52	-1.0	-41.28	407.33	10.06	-31.22
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258040	0	49	-1.0	-45.01	380.77	9.34	-35.67
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258040	1	49	-1.0	-45.04	380.83	9.36	-35.68
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020258041	0	47	-1.0	-44.15	368.08	7.87	-36.28
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020258041	1	47	-1.0	-44.16	368.14	7.89	-36.27
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020258042	0	44	-1.0	-46.08	340.28	5.83	-40.25
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020258042	1	44	-1.0	-46.09	340.33	5.86	-40.23
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020258043	0	40	-1.0	-42.81	337.78	7.73	-35.08
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020258043	1	40	-1.0	-42.82	337.84	7.75	-35.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020258044	0	37	-1.0	-45.52	316.29	6.95	-38.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020258044	1	37	-1.0	-45.54	316.35	6.97	-38.57
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020258045	0	44	-1.0	-45.80	368.90	9.84	-35.96
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020258045	1	44	-1.0	-45.84	368.70	9.82	-36.02
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020258046	0	48	-1.0	-41.24	375.62	5.08	-36.16
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020258046	1	48	-1.0	-41.27	375.68	5.09	-36.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020258047	0	45	-1.0	-45.95	347.53	4.55	-41.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020258047	1	45	-1.0	-45.98	347.59	4.58	-41.40
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020258048	0	52	-1.0	-45.72	401.91	7.36	-38.36
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020258048	1	52	-1.0	-45.66	401.97	7.34	-38.32
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258049	0	44	-1.0	-43.05	358.44	9.26	-33.79
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258049	1	44	-1.0	-43.04	358.48	9.25	-33.79
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C2=CC=CC=C2O1	REAL300020258050	0	45	-1.0	-43.61	364.92	8.09	-35.52
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C2=CC=CC=C2O1	REAL300020258050	1	45	-1.0	-43.61	364.98	8.10	-35.51
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C2=CC=CC=C2O1	REAL300020258051	0	42	-1.0	-47.52	344.41	7.35	-40.17
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C2=CC=CC=C2O1	REAL300020258051	1	42	-1.0	-47.48	344.38	7.33	-40.15
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C2=CC=CC=C2O1	REAL300020258052	0	45	-1.0	-43.61	364.92	8.09	-35.52
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C2=CC=CC=C2O1	REAL300020258052	1	45	-1.0	-43.61	364.98	8.10	-35.51
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C2=CC=CC=C2O1	REAL300020258053	0	42	-1.0	-47.52	344.41	7.35	-40.17
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C2=CC=CC=C2O1	REAL300020258053	1	42	-1.0	-47.48	344.38	7.33	-40.15
COC1=CC=C(C[C@H]2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1OC	REAL300020258054	0	54	-1.0	-48.74	422.15	7.31	-41.43
COC1=CC=C(C[C@H]2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1OC	REAL300020258054	1	54	-1.0	-48.75	422.21	7.33	-41.42
COC1=CC=C(C[C@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1OC	REAL300020258055	0	51	-1.0	-48.54	401.72	6.55	-41.99
COC1=CC=C(C[C@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1OC	REAL300020258055	1	51	-1.0	-48.59	401.78	6.58	-42.01
C=CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258056	0	43	-1.0	-41.22	343.19	6.15	-35.07
C=CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258056	1	43	-1.0	-41.20	343.25	6.17	-35.03
C=CCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258057	0	47	-1.0	-43.82	370.29	8.76	-35.06
C=CCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258057	1	47	-1.0	-43.78	370.33	8.74	-35.04
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020258058	0	51	-1.0	-43.23	408.51	8.75	-34.48
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020258058	1	51	-1.0	-43.26	408.45	8.74	-34.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020258059	0	48	-1.0	-45.33	388.00	7.97	-37.36
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020258059	1	48	-1.0	-45.37	388.06	7.99	-37.38
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1	REAL300020258060	0	54	-1.0	-44.46	426.76	5.69	-38.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1	REAL300020258060	1	54	-1.0	-44.48	426.82	5.71	-38.77
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1	REAL300020258061	0	51	-1.0	-47.32	405.03	4.85	-42.47
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1	REAL300020258061	1	51	-1.0	-47.29	405.09	4.88	-42.41
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CS(=O)(=O)CC2(C1)CCCC3	REAL300020258062	0	50	-1.0	-46.82	384.29	4.03	-42.79
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CS(=O)(=O)CC2(C1)CCCC3	REAL300020258062	1	50	-1.0	-46.85	384.35	4.04	-42.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CS(=O)(=O)CC2(C1)CCCC3	REAL300020258063	0	47	-1.0	-49.69	361.36	3.29	-46.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CS(=O)(=O)CC2(C1)CCCC3	REAL300020258063	1	47	-1.0	-49.66	361.41	3.31	-46.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020258064	0	40	-1.0	-43.26	304.28	5.28	-37.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020258064	1	40	-1.0	-43.27	304.34	5.30	-37.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020258065	0	37	-1.0	-46.51	282.05	4.45	-42.06
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020258065	1	37	-1.0	-46.54	282.11	4.47	-42.07
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020258066	0	44	-1.0	-46.26	335.68	7.35	-38.91
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020258066	1	44	-1.0	-46.27	335.73	7.34	-38.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020258067	0	47	-1.0	-48.37	367.61	4.31	-44.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020258067	1	47	-1.0	-48.38	367.67	4.32	-44.06
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020258068	0	44	-1.0	-51.19	347.21	3.55	-47.64
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020258068	1	44	-1.0	-51.20	347.27	3.57	-47.63
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020258069	0	51	-1.0	-51.16	399.57	6.41	-44.75
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020258069	1	51	-1.0	-51.18	399.62	6.40	-44.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020258070	0	41	-1.0	-44.59	344.72	6.92	-37.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020258070	1	41	-1.0	-44.61	344.78	6.94	-37.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020258071	0	38	-1.0	-46.25	321.54	5.97	-40.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020258071	1	38	-1.0	-46.22	321.49	5.94	-40.28
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020258072	0	45	-1.0	-47.64	378.09	9.18	-38.46
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020258072	1	45	-1.0	-47.61	378.14	9.17	-38.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020258073	0	44	-1.0	-49.19	359.81	3.20	-45.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020258073	1	44	-1.0	-49.19	359.86	3.21	-45.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020258074	0	41	-1.0	-52.81	338.36	2.45	-50.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020258074	1	41	-1.0	-52.76	338.30	2.41	-50.35
CCOC(=O)C(C#N)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258075	0	49	-1.0	-47.09	398.68	7.80	-39.29
CCOC(=O)C(C#N)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258075	1	49	-1.0	-47.12	398.74	7.82	-39.30
CCOC(=O)C(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258076	0	46	-1.0	-48.62	378.29	7.05	-41.57
CCOC(=O)C(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258076	1	46	-1.0	-48.64	378.35	7.08	-41.56
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020258077	0	43	-1.0	-40.94	335.09	7.10	-33.84
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020258077	1	43	-1.0	-40.99	335.15	7.12	-33.87
CC(C)[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020258078	0	47	-1.0	-43.21	360.81	8.44	-34.77
CC(C)[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020258078	1	47	-1.0	-43.19	360.84	8.42	-34.77
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCS2(=O)=O)CC1	REAL300020258079	0	51	-1.0	-51.02	402.75	4.36	-46.66
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCS2(=O)=O)CC1	REAL300020258079	1	51	-1.0	-51.00	402.81	4.38	-46.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCS2(=O)=O)CC1	REAL300020258080	0	48	-1.0	-53.40	380.10	3.77	-49.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCS2(=O)=O)CC1	REAL300020258080	1	48	-1.0	-53.36	380.15	3.79	-49.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020258081	0	43	-1.0	-48.64	348.68	2.96	-45.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020258081	1	43	-1.0	-48.65	348.74	2.97	-45.68
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020258082	0	40	-1.0	-52.64	326.98	2.09	-50.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020258082	1	40	-1.0	-52.66	327.04	2.12	-50.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(NC(=O)OC(C)(C)C)C2(CCC2)C1	REAL300020258083	0	54	-1.0	-42.70	416.94	6.20	-36.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(NC(=O)OC(C)(C)C)C2(CCC2)C1	REAL300020258083	1	54	-1.0	-42.72	417.00	6.22	-36.50
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258084	0	39	-1.0	-44.15	332.63	4.32	-39.83
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258084	1	39	-1.0	-44.18	332.66	4.32	-39.86
CC1=CC=C(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020258085	0	47	-1.0	-43.02	375.66	9.19	-33.83
CC1=CC=C(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020258085	1	47	-1.0	-43.02	375.71	9.21	-33.81
CC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020258086	0	44	-1.0	-43.78	361.14	8.95	-34.83
CC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020258086	1	44	-1.0	-43.82	361.20	8.97	-34.85
CC1=CC=C(C2=CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2)C=C1	REAL300020258087	0	51	-1.0	-43.36	413.74	11.83	-31.53
CC1=CC=C(C2=CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2)C=C1	REAL300020258087	1	51	-1.0	-43.48	413.54	11.80	-31.68
COC1=CC=C(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020258088	0	50	-1.0	-43.39	393.48	8.22	-35.17
COC1=CC=C(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020258088	1	50	-1.0	-43.39	393.54	8.24	-35.15
COC1=CC=C(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020258089	0	47	-1.0	-44.50	379.70	7.22	-37.28
COC1=CC=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020258089	1	47	-1.0	-44.50	379.76	7.24	-37.26
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020258090	0	44	-1.0	-43.92	345.56	8.75	-35.17
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020258090	1	44	-1.0	-43.87	345.57	8.74	-35.13
CCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258091	0	46	-1.0	-42.93	362.05	7.81	-35.12
CCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258091	1	46	-1.0	-42.97	362.09	7.79	-35.18
COC(=O)C1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020258092	0	52	-1.0	-45.15	418.72	9.60	-35.55
COC(=O)C1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020258092	1	52	-1.0	-45.14	418.77	9.61	-35.53
COC(=O)C1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020258093	0	49	-1.0	-45.90	404.38	8.79	-37.11
COC(=O)C1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020258093	1	49	-1.0	-45.91	404.44	8.82	-37.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020258094	0	43	-1.0	-48.37	349.58	2.59	-45.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020258094	1	43	-1.0	-48.42	349.64	2.60	-45.82
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020258095	0	40	-1.0	-50.90	327.13	1.77	-49.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020258095	1	40	-1.0	-50.90	327.18	1.79	-49.11
COC(=O)C1(C2(O)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)CCC1	REAL300020258096	0	50	-1.0	-43.79	391.55	4.81	-38.98
COC(=O)C1(C2(O)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)CCC1	REAL300020258096	1	50	-1.0	-43.83	391.61	4.83	-39.00
COC(=O)C1(C2(O)CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)CCC1	REAL300020258097	0	47	-1.0	-45.46	370.05	4.03	-41.43
COC(=O)C1(C2(O)CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)CCC1	REAL300020258097	1	47	-1.0	-45.50	370.11	4.05	-41.45
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020258098	0	42	-1.0	-46.46	342.70	4.84	-41.62
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020258098	1	42	-1.0	-46.45	342.64	4.83	-41.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020258099	0	39	-1.0	-49.43	322.25	4.09	-45.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020258099	1	39	-1.0	-49.39	322.19	4.07	-45.32
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020258100	0	46	-1.0	-48.12	376.83	6.83	-41.29
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020258100	1	46	-1.0	-48.09	376.78	6.84	-41.25
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020258101	0	44	-1.0	-42.92	347.49	5.57	-37.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020258101	1	44	-1.0	-42.96	347.54	5.58	-37.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020258102	0	41	-1.0	-45.52	325.99	4.79	-40.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020258102	1	41	-1.0	-45.51	326.04	4.81	-40.70
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020258103	0	48	-1.0	-44.55	378.95	7.67	-36.88
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020258103	1	48	-1.0	-44.52	379.07	7.65	-36.87
C#CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258104	0	42	-1.0	-41.72	353.27	5.99	-35.73
C#CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258104	1	42	-1.0	-41.71	353.33	6.00	-35.71
C#CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258105	0	39	-1.0	-45.78	326.77	5.27	-40.51
C#CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258105	1	39	-1.0	-45.81	326.82	5.30	-40.51
C#CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020258106	0	46	-1.0	-43.52	385.91	7.92	-35.60
C#CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020258106	1	46	-1.0	-43.51	385.97	7.91	-35.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020258107	0	40	-1.0	-45.95	319.96	3.15	-42.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020258107	1	40	-1.0	-46.00	320.02	3.16	-42.84
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)CC1	REAL300020258108	0	44	-1.0	-53.17	323.02	4.09	-49.08
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)CC1	REAL300020258108	1	44	-1.0	-53.12	323.05	4.09	-49.03
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC12CCCCC2	REAL300020258109	0	52	-1.0	-45.41	400.52	7.77	-37.64
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC12CCCCC2	REAL300020258109	1	52	-1.0	-45.41	400.58	7.79	-37.62
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC12CCCCC2	REAL300020258110	0	49	-1.0	-48.22	379.02	6.98	-41.24
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC12CCCCC2	REAL300020258110	1	49	-1.0	-48.24	379.08	7.02	-41.22
CCOC(=O)C1(CC(C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258111	0	57	-1.0	-43.00	429.97	9.18	-33.82
CCOC(=O)C1(CC(C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258111	1	57	-1.0	-43.03	430.03	9.20	-33.83
CCOC(=O)C1(CC(C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258112	0	54	-1.0	-44.89	408.48	8.40	-36.49
CCOC(=O)C1(CC(C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258112	1	54	-1.0	-44.86	408.54	8.42	-36.44
CN(C)C1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020258113	0	49	-1.0	-45.18	395.75	6.91	-38.27
CN(C)C1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020258113	1	49	-1.0	-45.23	395.81	6.92	-38.31
CN(C)C1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020258114	0	46	-1.0	-48.02	375.36	6.11	-41.91
CN(C)C1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020258114	1	46	-1.0	-48.02	375.41	6.13	-41.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020258115	0	46	-1.0	-42.66	380.97	6.65	-36.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020258115	1	46	-1.0	-42.66	381.03	6.67	-35.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020258116	0	43	-1.0	-45.49	360.57	5.90	-39.59
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020258116	1	43	-1.0	-45.46	360.62	5.92	-39.54
CC(=O)NC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020258117	0	43	-1.0	-53.00	362.55	6.25	-46.75
CC(=O)NC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020258117	1	43	-1.0	-53.01	362.61	6.26	-46.75
CC(=O)NC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020258118	0	40	-1.0	-59.42	342.24	5.54	-53.88
CC(=O)NC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020258118	1	40	-1.0	-59.41	342.18	5.52	-53.89
CC(=O)NC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020258119	0	47	-1.0	-53.52	394.65	8.31	-45.21
CC(=O)NC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020258119	1	47	-1.0	-53.47	394.69	8.30	-45.17
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020258120	0	47	-1.0	-41.57	379.64	7.98	-33.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020258120	1	47	-1.0	-41.59	379.70	7.99	-33.60
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020258121	0	44	-1.0	-42.61	358.15	7.19	-35.42
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020258121	1	44	-1.0	-42.56	358.20	7.21	-35.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020258122	0	41	-1.0	-42.98	323.41	8.21	-34.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020258122	1	41	-1.0	-42.98	323.46	8.23	-34.75
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020258123	0	38	-1.0	-45.41	307.58	7.33	-38.08
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020258123	1	38	-1.0	-45.42	307.64	7.36	-38.06
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CSCC(C2)C1	REAL300020258124	0	45	-1.0	-45.37	355.31	10.32	-35.05
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CSCC(C2)C1	REAL300020258124	1	45	-1.0	-45.32	355.35	10.32	-35.00
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1C	REAL300020258125	0	52	-1.0	-40.27	405.52	9.79	-30.48
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1C	REAL300020258125	1	52	-1.0	-40.31	405.58	9.81	-30.50
CC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1C	REAL300020258126	0	49	-1.0	-44.26	378.48	9.28	-34.98
CC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1C	REAL300020258126	1	49	-1.0	-44.26	378.53	9.30	-34.96
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@@H]1F	REAL300020258127	0	40	-1.0	-42.93	326.19	4.65	-38.28
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1F	REAL300020258127	1	40	-1.0	-42.91	326.24	4.66	-38.25
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@@H]1F	REAL300020258128	0	44	-1.0	-45.34	357.05	6.72	-38.62
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1F	REAL300020258128	1	44	-1.0	-45.34	357.10	6.71	-38.63
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020258129	0	44	-1.0	-44.07	362.66	7.18	-36.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020258129	1	44	-1.0	-44.11	362.72	7.19	-36.92
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020258130	0	41	-1.0	-44.52	342.87	6.44	-38.08
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020258130	1	41	-1.0	-44.55	342.92	6.46	-38.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCNS2(=O)=O)CC1	REAL300020258131	0	47	-1.0	-50.62	381.66	1.12	-49.50
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCNS2(=O)=O)CC1	REAL300020258131	1	47	-1.0	-50.55	381.72	1.14	-49.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCNS2(=O)=O)CC1	REAL300020258132	0	44	-1.0	-52.10	361.25	0.37	-51.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCNS2(=O)=O)CC1	REAL300020258132	1	44	-1.0	-52.10	361.30	0.39	-51.71
CCOC(=O)C1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258133	0	51	-1.0	-48.18	410.60	7.70	-40.48
CCOC(=O)C1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258133	1	51	-1.0	-48.22	410.66	7.73	-40.49
COC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258134	0	42	-1.0	-43.64	345.42	5.97	-37.67
COC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258134	1	42	-1.0	-43.63	345.48	5.98	-37.65
COC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258135	0	39	-1.0	-45.72	320.10	5.07	-40.65
COC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258135	1	39	-1.0	-45.73	320.15	5.10	-40.63
COC(=O)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020258136	0	46	-1.0	-46.01	376.34	8.05	-37.96
COC(=O)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020258136	1	46	-1.0	-46.03	376.40	8.04	-37.99
COC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2=C1	REAL300020258137	0	41	-1.0	-49.77	333.56	8.46	-41.31
COC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2=C1	REAL300020258137	1	41	-1.0	-49.81	333.62	8.47	-41.34
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2=C1	REAL300020258138	0	38	-1.0	-52.98	312.12	7.69	-45.29
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2=C1	REAL300020258138	1	38	-1.0	-52.98	312.06	7.66	-45.32
COC1=CC=C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C2=C1	REAL300020258139	0	45	-1.0	-51.70	365.88	10.53	-41.17
COC1=CC=C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C2=C1	REAL300020258139	1	45	-1.0	-51.69	365.93	10.53	-41.16
CC[N@@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020258140	0	48	0.0	-62.90	352.12	7.01	-55.89
CC[N@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020258140	1	48	0.0	-61.16	358.87	7.03	-54.13
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020258140	1	48	0.0	-62.91	352.18	7.02	-55.89
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020258140	1	48	0.0	-61.18	358.93	7.05	-54.13
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020258141	0	45	0.0	-63.65	331.73	6.26	-57.39
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020258141	1	45	0.0	-63.98	327.54	5.74	-58.24
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020258141	1	45	0.0	-63.70	331.79	6.29	-57.41
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020258141	1	45	0.0	-63.98	327.60	5.76	-58.22
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1(C)C	REAL300020258142	0	52	0.0	-65.59	391.28	8.86	-56.73
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1(C)C	REAL300020258142	1	52	0.0	-69.24	384.31	9.14	-60.10
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1(C)C	REAL300020258142	1	52	0.0	-65.56	391.24	8.88	-56.68
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1(C)C	REAL300020258142	1	52	0.0	-69.22	384.27	9.16	-60.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020258143	0	47	-1.0	-47.58	373.22	7.42	-40.16
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020258143	1	47	-1.0	-47.53	373.28	7.43	-40.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020258144	0	44	-1.0	-51.12	351.72	6.63	-44.49
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020258144	1	44	-1.0	-51.12	351.78	6.66	-44.46
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020258145	0	41	-1.0	-43.05	332.89	7.82	-35.23
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020258145	1	41	-1.0	-43.00	332.94	7.81	-35.19
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020258146	0	46	-1.0	-40.84	371.67	8.91	-31.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020258146	1	46	-1.0	-40.83	371.73	8.92	-31.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020258147	0	43	-1.0	-47.29	351.83	8.09	-39.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020258147	1	43	-1.0	-47.28	351.88	8.11	-39.17
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC(C)(C)C)C1	REAL300020258148	0	54	-1.0	-45.12	418.67	8.66	-36.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC(C)(C)C)C1	REAL300020258148	1	54	-1.0	-45.12	418.73	8.67	-36.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC(C)(C)C)C1	REAL300020258149	0	51	-1.0	-45.96	398.23	7.89	-38.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC(C)(C)C)C1	REAL300020258149	1	51	-1.0	-45.97	398.29	7.92	-38.05
COCC1(C(=O)OC(C)(C)C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258150	0	55	-1.0	-50.52	423.36	8.20	-42.32
COCC1(C(=O)OC(C)(C)C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258150	1	55	-1.0	-50.52	423.42	8.23	-42.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1	REAL300020258151	0	54	-1.0	-51.47	419.72	6.78	-44.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1	REAL300020258151	1	54	-1.0	-51.45	419.78	6.80	-44.65
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020258152	0	46	-1.0	-40.85	339.75	7.77	-33.08
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020258152	1	46	-1.0	-40.85	339.81	7.78	-33.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020258153	0	43	-1.0	-42.42	324.64	6.57	-35.85
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020258153	1	43	-1.0	-42.44	324.69	6.60	-35.84
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020258154	0	50	-1.0	-42.46	372.75	9.74	-32.72
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020258154	1	50	-1.0	-42.48	372.78	9.73	-32.75
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020258155	0	40	-1.0	-46.76	322.23	4.66	-42.10
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020258155	1	40	-1.0	-46.76	322.29	4.67	-42.09
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020258156	0	37	-1.0	-44.74	307.92	4.43	-40.31
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020258156	1	37	-1.0	-44.75	307.86	4.40	-40.35
CC1=NN2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2=C1	REAL300020258157	0	44	-1.0	-45.42	360.44	7.28	-38.14
CC1=NN2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2=C1	REAL300020258157	1	44	-1.0	-45.43	360.25	7.27	-38.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)OC3=CC=CC=C32)C1	REAL300020258158	0	46	-1.0	-48.88	363.54	6.62	-42.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)OC3=CC=CC=C32)C1	REAL300020258158	1	46	-1.0	-48.92	363.60	6.63	-42.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)OC3=CC=CC=C32)C1	REAL300020258159	0	43	-1.0	-55.57	361.07	6.73	-48.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)OC3=CC=CC=C32)C1	REAL300020258159	1	43	-1.0	-55.63	361.13	6.76	-48.87
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)C2=CC=CC=C2)C1	REAL300020258160	0	46	-1.0	-50.49	389.91	5.08	-45.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)C2=CC=CC=C2)C1	REAL300020258160	1	46	-1.0	-50.51	389.96	5.10	-45.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)C2=CC=CC=C2)C1	REAL300020258161	0	43	-1.0	-53.95	369.46	4.31	-49.64
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)C2=CC=CC=C2)C1	REAL300020258161	1	43	-1.0	-53.97	369.51	4.34	-49.63
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCOCC1	REAL300020258162	0	45	-1.0	-44.07	361.38	5.29	-38.78
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCOCC1	REAL300020258162	1	45	-1.0	-44.07	361.44	5.30	-38.77
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCOCC1	REAL300020258163	0	42	-1.0	-46.19	340.91	4.53	-41.66
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCOCC1	REAL300020258163	1	42	-1.0	-46.18	340.97	4.55	-41.63
C#CCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCOCC1	REAL300020258164	0	49	-1.0	-43.95	390.09	7.28	-36.67
C#CCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCOCC1	REAL300020258164	1	49	-1.0	-43.87	390.12	7.27	-36.60
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCCC1	REAL300020258165	0	44	-1.0	-41.42	344.26	7.74	-33.68
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCCC1	REAL300020258165	1	44	-1.0	-41.43	344.31	7.75	-33.68
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCCC1	REAL300020258166	0	41	-1.0	-43.89	321.70	6.93	-36.96
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCCC1	REAL300020258166	1	41	-1.0	-43.84	321.65	6.91	-36.93
C#CCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCCC1	REAL300020258167	0	48	-1.0	-43.28	376.38	9.79	-33.49
C#CCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCCC1	REAL300020258167	1	48	-1.0	-43.20	376.43	9.78	-33.42
CC1=CC=NC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020258168	0	47	-1.0	-44.35	378.33	6.89	-37.46
CC1=CC=NC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020258168	1	47	-1.0	-44.39	378.39	6.90	-37.49
CC1=CC=NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020258169	0	44	-1.0	-47.32	357.93	6.13	-41.19
CC1=CC=NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020258169	1	44	-1.0	-47.30	357.99	6.16	-41.14
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H](C)N1CC(F)(F)F	REAL300020258170	0	47	-1.0	-41.07	369.24	4.72	-36.35
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H](C)N1CC(F)(F)F	REAL300020258170	1	47	-1.0	-41.07	369.30	4.73	-36.34
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H](C)N1CC(F)(F)F	REAL300020258171	0	44	-1.0	-45.02	342.38	3.95	-41.07
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H](C)N1CC(F)(F)F	REAL300020258171	1	44	-1.0	-45.04	342.44	3.97	-41.07
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020258172	0	37	-1.0	-41.61	324.02	7.00	-34.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020258172	1	37	-1.0	-41.62	324.08	7.01	-34.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020258173	0	34	-1.0	-44.05	302.59	6.24	-37.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020258173	1	34	-1.0	-44.04	302.53	6.21	-37.83
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020258174	0	41	-1.0	-43.08	356.00	9.11	-33.97
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020258174	1	41	-1.0	-43.10	356.06	9.09	-34.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020258175	0	40	-1.0	-53.59	331.56	2.40	-51.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020258175	1	40	-1.0	-53.62	331.61	2.41	-51.21
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020258176	0	37	-1.0	-57.09	306.29	1.54	-55.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020258176	1	37	-1.0	-57.10	306.35	1.56	-55.54
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020258177	0	44	-1.0	-56.28	363.36	4.50	-51.78
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020258177	1	44	-1.0	-56.26	363.40	4.49	-51.77
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020258178	0	40	-1.0	-43.96	324.75	6.34	-37.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020258178	1	40	-1.0	-44.02	324.80	6.35	-37.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020258179	0	37	-1.0	-47.64	299.97	5.42	-42.22
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020258179	1	37	-1.0	-47.65	300.03	5.45	-42.20
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020258180	0	44	-1.0	-46.40	353.52	8.31	-38.09
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020258180	1	44	-1.0	-46.39	353.55	8.30	-38.09
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258181	0	46	-1.0	-43.50	367.07	8.21	-35.29
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258181	1	46	-1.0	-43.55	367.08	8.21	-35.34
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020258182	0	41	-1.0	-41.27	334.24	6.40	-34.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020258182	1	41	-1.0	-41.29	334.30	6.42	-34.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020258183	0	38	-1.0	-42.60	309.64	5.53	-37.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020258183	1	38	-1.0	-42.60	309.70	5.55	-37.05
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020258184	0	45	-1.0	-43.61	362.63	8.39	-35.22
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020258184	1	45	-1.0	-43.59	362.65	8.38	-35.21
CC1=CC=C(C)C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020258185	0	52	-1.0	-41.19	402.80	10.17	-31.02
CC1=CC=C(C)C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020258185	1	52	-1.0	-41.18	402.86	10.18	-31.00
CC1=CC=C(C)C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1	REAL300020258186	0	49	-1.0	-42.90	381.31	9.37	-33.53
CC1=CC=C(C)C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1	REAL300020258186	1	49	-1.0	-42.91	381.37	9.40	-33.51
CC1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=CC(C)=C1	REAL300020258187	0	52	-1.0	-41.26	406.78	10.28	-30.98
CC1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=CC(C)=C1	REAL300020258187	1	52	-1.0	-41.28	406.84	10.29	-30.99
CC1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=CC(C)=C1	REAL300020258188	0	49	-1.0	-43.10	385.29	9.48	-33.62
CC1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=CC(C)=C1	REAL300020258188	1	49	-1.0	-43.08	385.34	9.51	-33.57
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258189	0	39	-1.0	-45.93	328.64	7.77	-38.16
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258189	1	39	-1.0	-45.88	328.68	7.75	-38.13
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020258190	0	44	-1.0	-41.95	374.00	6.52	-35.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020258190	1	44	-1.0	-41.98	374.06	6.53	-35.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020258191	0	41	-1.0	-44.80	353.55	5.77	-39.03
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020258191	1	41	-1.0	-44.83	353.60	5.80	-39.03
COC(=O)C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCN2N=C1	REAL300020258192	0	43	-1.0	-44.33	368.05	4.93	-39.40
COC(=O)C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCN2N=C1	REAL300020258192	1	43	-1.0	-44.33	368.11	4.95	-39.38
COC(=O)C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCN2N=C1	REAL300020258193	0	40	-1.0	-44.45	346.56	4.15	-40.30
COC(=O)C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCN2N=C1	REAL300020258193	1	40	-1.0	-44.46	346.61	4.17	-40.29
CCC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258194	0	43	-1.0	-41.59	344.47	7.45	-34.14
CCC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258194	1	43	-1.0	-41.56	344.53	7.47	-34.09
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258195	0	40	-1.0	-45.02	323.90	6.73	-38.29
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258195	1	40	-1.0	-45.03	323.85	6.70	-38.33
CCC1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258196	0	47	-1.0	-43.86	376.07	9.55	-34.31
CCC1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258196	1	47	-1.0	-43.84	376.11	9.54	-34.30
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020258197	0	47	-1.0	-43.46	352.25	4.89	-38.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020258197	1	47	-1.0	-43.43	352.31	4.91	-38.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020258198	0	44	-1.0	-42.69	341.26	4.38	-38.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020258198	1	44	-1.0	-42.70	341.31	4.41	-38.29
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCCCO1	REAL300020258199	0	51	-1.0	-42.70	392.62	7.12	-35.58
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCCCO1	REAL300020258199	1	51	-1.0	-42.68	392.93	7.06	-35.62
CN(CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258200	0	46	-1.0	-44.09	388.83	8.14	-35.95
CN(CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258200	1	46	-1.0	-44.09	388.88	8.15	-35.94
CN(CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258201	0	43	-1.0	-46.85	368.37	7.41	-39.44
CN(CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258201	1	43	-1.0	-46.82	368.43	7.44	-39.38
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258202	0	42	-1.0	-43.29	351.07	7.87	-35.42
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258202	1	42	-1.0	-43.26	351.15	7.85	-35.41
CCOC1=CC=C(CCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020258203	0	49	-1.0	-42.67	403.62	7.99	-34.68
CCOC1=CC=C(CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020258203	1	49	-1.0	-42.66	403.67	8.00	-34.66
CCOC1=CC=C(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020258204	0	46	-1.0	-44.34	382.07	7.23	-37.11
CCOC1=CC=C(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020258204	1	46	-1.0	-44.29	382.12	7.26	-37.03
CC1=C(Cl)C=CC=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258205	0	48	-1.0	-41.32	394.60	8.22	-33.10
CC1=C(Cl)C=CC=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258205	1	48	-1.0	-41.32	394.66	8.24	-33.08
CC1=C(Cl)C=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258206	0	45	-1.0	-43.34	372.98	7.43	-35.91
CC1=C(Cl)C=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258206	1	45	-1.0	-43.39	373.03	7.46	-35.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020258207	0	46	-1.0	-44.26	389.56	3.71	-40.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020258207	1	46	-1.0	-44.27	389.62	3.73	-40.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020258208	0	43	-1.0	-47.38	360.60	3.09	-44.29
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020258208	1	43	-1.0	-47.39	360.66	3.11	-44.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2Cl)CC1	REAL300020258209	0	45	-1.0	-48.64	383.51	8.55	-40.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2Cl)CC1	REAL300020258209	1	45	-1.0	-48.65	383.57	8.57	-40.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020258210	0	50	-1.0	-41.71	371.63	6.14	-35.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020258210	1	50	-1.0	-41.71	371.69	6.16	-35.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020258211	0	47	-1.0	-44.12	349.09	5.32	-38.80
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020258211	1	47	-1.0	-44.12	349.15	5.35	-38.77
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020258212	0	54	-1.0	-44.08	402.38	8.22	-35.86
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020258212	1	54	-1.0	-44.06	402.42	8.21	-35.85
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020258213	0	45	-1.0	-42.10	359.52	4.08	-38.02
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020258213	1	45	-1.0	-42.05	359.57	4.10	-37.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020258214	0	42	-1.0	-45.12	339.11	3.33	-41.79
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020258214	1	42	-1.0	-45.09	339.17	3.35	-41.74
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020258215	0	49	-1.0	-44.77	391.47	6.18	-38.59
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020258215	1	49	-1.0	-44.76	391.52	6.18	-38.58
CC1=CC=CC(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=C1C	REAL300020258216	0	50	-1.0	-42.57	392.73	9.15	-33.42
CC1=CC=CC(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=C1C	REAL300020258216	1	50	-1.0	-42.56	392.79	9.16	-33.40
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=C1C	REAL300020258217	0	47	-1.0	-44.65	371.24	8.36	-36.29
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=C1C	REAL300020258217	1	47	-1.0	-44.62	371.30	8.39	-36.23
CCCOC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258218	0	47	-1.0	-44.70	379.30	5.95	-38.75
CCCOC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258218	1	47	-1.0	-44.72	379.35	5.96	-38.76
CCCOC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258219	0	44	-1.0	-46.52	357.80	5.16	-41.36
CCCOC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258219	1	44	-1.0	-46.52	357.86	5.19	-41.33
CCCOC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020258220	0	51	-1.0	-47.52	410.16	8.02	-39.50
CCCOC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020258220	1	51	-1.0	-47.47	410.21	8.03	-39.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CN(C3CC3)N=N2)CC1	REAL300020258221	0	50	-1.0	-47.38	406.79	5.57	-41.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CN(C3CC3)N=N2)CC1	REAL300020258221	1	50	-1.0	-47.34	406.73	5.56	-41.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CN(C3CC3)N=N2)CC1	REAL300020258222	0	47	-1.0	-49.80	385.30	4.80	-45.00
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CN(C3CC3)N=N2)CC1	REAL300020258222	1	47	-1.0	-49.78	385.24	4.77	-45.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020258223	0	43	-1.0	-41.49	359.13	5.79	-35.70
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020258223	1	43	-1.0	-41.47	359.18	5.80	-35.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020258224	0	40	-1.0	-43.80	338.73	5.03	-38.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020258224	1	40	-1.0	-43.80	338.78	5.05	-38.75
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258225	0	40	-1.0	-49.01	327.38	2.94	-46.07
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258225	1	40	-1.0	-48.97	327.44	2.95	-46.02
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258226	0	44	-1.0	-50.01	360.64	4.93	-45.08
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258226	1	44	-1.0	-50.03	360.68	4.92	-45.11
CC(OC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1)C(F)(F)F	REAL300020258227	0	40	-1.0	-42.67	350.10	4.44	-38.23
CC(OC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1)C(F)(F)F	REAL300020258227	1	40	-1.0	-42.67	350.16	4.46	-38.21
CC(OC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1)C(F)(F)F	REAL300020258228	0	37	-1.0	-43.04	328.59	3.66	-39.38
CC(OC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1)C(F)(F)F	REAL300020258228	1	37	-1.0	-43.06	328.65	3.68	-39.38
CC(OC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1)C(F)(F)F	REAL300020258229	0	44	-1.0	-45.01	381.48	6.52	-38.49
CC(OC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1)C(F)(F)F	REAL300020258229	1	44	-1.0	-45.00	381.53	6.51	-38.49
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020258230	0	42	-1.0	-43.66	353.22	6.01	-37.65
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020258230	1	42	-1.0	-43.64	353.28	6.02	-37.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020258231	0	39	-1.0	-43.30	336.67	5.12	-38.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020258231	1	39	-1.0	-43.35	336.73	5.14	-38.21
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020258232	0	46	-1.0	-46.44	380.07	7.42	-39.02
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020258232	1	46	-1.0	-46.42	380.11	7.42	-39.00
CN(C)S(C)(=O)=NCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258233	0	54	-1.0	-50.64	431.95	3.90	-46.74
CN(C)S(C)(=O)=NCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258233	1	54	-1.0	-50.69	432.01	3.91	-46.78
CN(C)S(C)(=O)=NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258234	0	51	-1.0	-52.72	417.60	3.09	-49.63
CN(C)S(C)(=O)=NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258234	1	51	-1.0	-52.76	417.66	3.11	-49.65
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258235	0	43	-1.0	-45.51	347.96	10.62	-34.89
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258235	1	43	-1.0	-45.46	348.02	10.63	-34.83
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258236	0	40	-1.0	-48.57	325.54	9.82	-38.75
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258236	1	40	-1.0	-48.58	325.48	9.80	-38.78
CCC1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258237	0	47	-1.0	-47.56	379.31	12.67	-34.89
CCC1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258237	1	47	-1.0	-47.54	379.35	12.66	-34.88
COC(=O)C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCOC2=C1	REAL300020258238	0	47	-1.0	-44.09	388.44	7.23	-36.86
COC(=O)C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCOC2=C1	REAL300020258238	1	47	-1.0	-44.10	388.50	7.24	-36.86
COC(=O)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCOC2=C1	REAL300020258239	0	44	-1.0	-45.98	366.94	6.44	-39.54
COC(=O)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCOC2=C1	REAL300020258239	1	44	-1.0	-46.00	367.00	6.47	-39.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020258240	0	44	-1.0	-43.02	342.40	8.21	-34.81
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020258240	1	44	-1.0	-42.96	342.46	8.20	-34.76
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020258241	0	38	-1.0	-43.46	310.14	6.58	-36.88
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020258241	1	38	-1.0	-43.45	310.19	6.57	-36.88
CN(CC(F)(F)F)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258242	0	47	-1.0	-41.39	377.26	5.36	-36.03
CN(CC(F)(F)F)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258242	1	47	-1.0	-41.41	377.32	5.38	-36.03
CN(CC(F)(F)F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258243	0	44	-1.0	-44.34	355.75	4.57	-39.77
CN(CC(F)(F)F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258243	1	44	-1.0	-44.39	355.81	4.59	-39.80
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020258244	0	42	-1.0	-45.79	347.04	-0.07	-45.86
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020258244	1	42	-1.0	-45.76	347.09	-0.05	-45.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020258245	0	39	-1.0	-49.23	325.53	-0.85	-50.08
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020258245	1	39	-1.0	-49.22	325.59	-0.83	-50.05
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020258246	0	46	-1.0	-47.28	375.16	1.92	-45.36
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020258246	1	46	-1.0	-47.25	375.24	1.90	-45.35
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC12CCOCC2	REAL300020258247	0	50	-1.0	-45.62	388.58	5.41	-40.21
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC12CCOCC2	REAL300020258247	1	50	-1.0	-45.69	388.64	5.43	-40.26
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC12CCOCC2	REAL300020258248	0	47	-1.0	-48.87	365.09	4.59	-44.28
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC12CCOCC2	REAL300020258248	1	47	-1.0	-48.92	365.15	4.61	-44.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020258249	0	42	-1.0	-40.59	327.81	4.71	-35.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020258249	1	42	-1.0	-40.59	327.86	4.72	-35.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020258250	0	39	-1.0	-44.49	309.23	4.02	-40.47
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020258250	1	39	-1.0	-44.51	309.29	4.05	-40.46
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020258251	0	46	-1.0	-43.43	359.05	6.81	-36.62
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020258251	1	46	-1.0	-43.41	359.08	6.79	-36.62
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258252	0	43	-1.0	-44.24	347.66	7.71	-36.53
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258252	1	43	-1.0	-44.22	347.70	7.70	-36.52
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020258253	0	52	0.0	-65.37	401.35	9.33	-56.04
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020258253	1	52	0.0	-66.94	399.65	9.36	-57.58
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCN1CC1=CC=CC=C1	REAL300020258253	1	51	-1.0	-41.83	397.17	7.20	-34.63
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCN1CC1=CC=CC=C1	REAL300020258253	1	51	-1.0	-41.84	397.23	7.22	-34.62
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1CC1=CC=CC=C1	REAL300020258254	0	49	0.0	-69.26	369.40	8.22	-61.04
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1CC1=CC=CC=C1	REAL300020258254	1	49	0.0	-67.39	374.06	8.07	-59.32
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCN1CC1=CC=CC=C1	REAL300020258254	1	48	-1.0	-43.72	372.16	5.78	-37.94
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1CC1=CC=CC=C1	REAL300020258254	1	48	-1.0	-43.75	372.21	5.81	-37.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020258255	0	37	-1.0	-42.72	317.34	4.18	-38.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020258255	1	37	-1.0	-42.70	317.40	4.20	-38.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020258256	0	34	-1.0	-41.64	291.66	2.87	-38.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020258256	1	34	-1.0	-41.61	291.72	2.90	-38.71
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020258257	0	41	-1.0	-45.76	349.21	6.32	-39.44
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020258257	1	41	-1.0	-45.66	349.22	6.31	-39.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020258258	0	37	-1.0	-42.80	318.31	4.21	-38.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020258258	1	37	-1.0	-42.75	318.37	4.22	-38.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020258259	0	34	-1.0	-44.65	296.81	3.42	-41.23
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020258259	1	34	-1.0	-44.66	296.86	3.45	-41.21
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020258260	0	41	-1.0	-44.06	355.74	6.11	-37.95
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020258260	1	41	-1.0	-44.02	355.78	6.10	-37.92
CN(CC1=NN(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258261	0	39	-1.0	-45.99	325.97	4.84	-41.15
CN(CC1=NN(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258261	1	39	-1.0	-46.03	326.03	4.85	-41.18
CN(CC1=NN(C)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258262	0	43	-1.0	-46.39	357.98	7.13	-39.26
CN(CC1=NN(C)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258262	1	43	-1.0	-46.33	358.01	7.12	-39.21
CCOC(=O)C1(COC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258263	0	52	-1.0	-41.56	414.45	7.05	-34.51
CCOC(=O)C1(COC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258263	1	52	-1.0	-41.60	414.50	7.06	-34.54
CCOC(=O)C1(COC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258264	0	49	-1.0	-42.69	392.95	6.26	-36.43
CCOC(=O)C1(COC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258264	1	49	-1.0	-42.68	393.01	6.29	-36.39
CN1N=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCN2C1=O	REAL300020258265	0	40	-1.0	-45.76	330.74	4.28	-41.48
CN1N=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCN2C1=O	REAL300020258265	1	40	-1.0	-45.79	330.79	4.30	-41.49
CN1N=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCN2C1=O	REAL300020258266	0	37	-1.0	-45.92	309.24	3.50	-42.42
CN1N=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCN2C1=O	REAL300020258266	1	37	-1.0	-45.90	309.30	3.52	-42.38
CN1N=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CCN2C1=O	REAL300020258267	0	44	-1.0	-49.25	362.04	6.35	-42.90
CN1N=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CCN2C1=O	REAL300020258267	1	44	-1.0	-49.29	361.78	6.34	-42.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020258268	0	44	-1.0	-43.17	357.20	7.29	-35.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020258268	1	44	-1.0	-43.17	357.23	7.31	-35.86
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020258269	0	41	-1.0	-48.70	332.61	6.44	-42.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020258269	1	41	-1.0	-48.69	332.55	6.42	-42.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020258270	0	41	-1.0	-44.64	344.78	7.86	-36.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020258270	1	41	-1.0	-44.64	344.84	7.88	-36.76
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020258271	0	38	-1.0	-46.33	321.23	6.01	-40.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020258271	1	38	-1.0	-46.32	321.18	5.99	-40.33
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020258272	0	45	-1.0	-47.41	375.90	9.97	-37.44
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020258272	1	45	-1.0	-47.39	375.70	9.95	-37.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020258273	0	42	-1.0	-48.56	329.83	5.86	-42.70
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020258273	1	42	-1.0	-48.51	329.88	5.88	-42.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020258274	0	39	-1.0	-53.87	308.33	5.07	-48.80
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020258274	1	39	-1.0	-53.87	308.39	5.09	-48.78
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020258275	0	46	-1.0	-49.46	358.86	7.92	-41.54
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020258275	1	46	-1.0	-49.49	358.89	7.91	-41.58
COC1=CC=CC=C1N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258276	0	52	-1.0	-43.96	404.66	7.33	-36.63
COC1=CC=CC=C1N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258276	1	52	-1.0	-43.96	404.72	7.35	-36.61
COC1=CC=CC=C1N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258277	0	49	-1.0	-46.21	380.99	5.89	-40.32
COC1=CC=CC=C1N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258277	1	49	-1.0	-46.22	381.05	5.92	-40.30
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCOCC1	REAL300020258278	0	44	-1.0	-43.58	348.72	5.99	-37.59
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCOCC1	REAL300020258278	1	44	-1.0	-43.57	348.80	5.97	-37.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300020258279	0	44	-1.0	-41.37	369.08	7.24	-34.13
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300020258279	1	44	-1.0	-41.41	369.14	7.26	-34.15
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300020258280	0	41	-1.0	-42.00	348.58	6.49	-35.51
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300020258280	1	41	-1.0	-41.98	348.64	6.52	-35.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020258281	0	42	-1.0	-41.83	330.93	3.39	-38.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020258281	1	42	-1.0	-41.80	330.99	3.41	-38.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020258282	0	39	-1.0	-47.15	307.57	2.68	-44.47
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020258282	1	39	-1.0	-47.16	307.63	2.71	-44.45
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)COCCO2	REAL300020258283	0	46	-1.0	-43.98	362.36	5.45	-38.53
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)COCCO2	REAL300020258283	1	46	-1.0	-43.96	362.39	5.44	-38.52
CC1CCC(F)(F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258284	0	39	-1.0	-40.09	323.50	5.73	-34.36
CC1CCC(F)(F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258284	1	39	-1.0	-40.07	323.56	5.75	-34.32
CC1CCC(F)(F)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258285	0	43	-1.0	-42.52	356.31	7.31	-35.21
CC1CCC(F)(F)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258285	1	43	-1.0	-42.50	356.36	7.30	-35.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020258286	0	41	-1.0	-44.09	321.97	4.62	-39.47
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020258286	1	41	-1.0	-44.09	322.03	4.63	-39.46
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCO2)C1	REAL300020258287	0	45	-1.0	-44.41	356.76	6.83	-37.58
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCO2)C1	REAL300020258287	1	45	-1.0	-44.43	356.77	6.82	-37.61
CCOC(=O)C1(CC(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258288	0	51	-1.0	-49.62	410.84	8.17	-41.45
CCOC(=O)C1(CC(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258288	1	51	-1.0	-49.63	410.89	8.19	-41.44
CCOC(=O)C1(CC(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258289	0	48	-1.0	-51.57	389.35	7.38	-44.19
CCOC(=O)C1(CC(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258289	1	48	-1.0	-51.58	389.40	7.40	-44.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020258290	0	43	-1.0	-49.76	346.26	3.00	-46.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020258290	1	43	-1.0	-49.72	346.32	3.02	-46.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020258291	0	40	-1.0	-53.69	324.36	2.22	-51.47
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020258291	1	40	-1.0	-53.73	324.42	2.25	-51.48
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020258292	0	46	-1.0	-40.71	366.75	8.76	-31.95
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020258292	1	46	-1.0	-40.73	366.81	8.78	-31.95
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020258293	0	43	-1.0	-43.11	344.51	7.43	-35.68
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020258293	1	43	-1.0	-43.09	344.45	7.40	-35.69
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020258294	0	50	-1.0	-42.94	398.42	10.87	-32.07
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020258294	1	50	-1.0	-42.91	398.48	10.88	-32.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020258295	0	52	0.0	-67.40	384.22	7.86	-59.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020258295	1	52	0.0	-67.41	384.28	7.88	-59.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020258296	0	49	0.0	-69.96	357.50	7.36	-62.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020258296	1	49	0.0	-70.00	357.56	7.38	-62.62
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020258297	0	56	0.0	-71.25	415.69	9.94	-61.31
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020258297	1	56	0.0	-71.26	415.74	9.92	-61.34
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1C(=O)OC	REAL300020258298	0	45	-1.0	-53.38	376.37	5.93	-47.45
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1C(=O)OC	REAL300020258298	1	45	-1.0	-53.37	376.43	5.94	-47.43
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1C(=O)OC	REAL300020258299	0	42	-1.0	-45.89	357.63	4.98	-40.91
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1C(=O)OC	REAL300020258299	1	42	-1.0	-45.94	357.69	5.01	-40.93
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCC2=CC=CC=C2C1	REAL300020258300	0	46	-1.0	-43.40	355.97	8.58	-34.82
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCC2=CC=CC=C2C1	REAL300020258300	1	46	-1.0	-43.39	356.03	8.59	-34.80
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCC2=CC=CC=C2C1	REAL300020258301	0	43	-1.0	-44.24	347.61	7.22	-37.02
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCC2=CC=CC=C2C1	REAL300020258301	1	43	-1.0	-44.27	347.56	7.19	-37.08
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCC2=CC=CC=C2C1	REAL300020258302	0	50	-1.0	-44.74	400.39	10.11	-34.63
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCC2=CC=CC=C2C1	REAL300020258302	1	50	-1.0	-44.75	400.44	10.10	-34.65
C[C@@H]1CO[C@@H](C2=CC=CC=C2Cl)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258303	0	47	-1.0	-41.22	388.34	8.02	-33.20
C[C@@H]1CO[C@@H](C2=CC=CC=C2Cl)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258303	1	47	-1.0	-41.19	388.40	8.04	-33.15
C[C@@H]1CO[C@@H](C2=CC=CC=C2Cl)CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258304	0	44	-1.0	-45.95	364.52	5.85	-40.10
C[C@@H]1CO[C@@H](C2=CC=CC=C2Cl)CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258304	1	44	-1.0	-46.00	364.59	5.88	-40.12
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOCCO)CCC1=CC=CC=C1	REAL300020258305	0	53	-1.0	-43.49	422.41	5.12	-38.37
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOCCO)CCC1=CC=CC=C1	REAL300020258305	1	53	-1.0	-43.53	422.47	5.13	-38.40
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOCCO)CCC1=CC=CC=C1	REAL300020258306	0	50	-1.0	-44.44	401.73	4.19	-40.25
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOCCO)CCC1=CC=CC=C1	REAL300020258306	1	50	-1.0	-44.47	401.80	4.21	-40.26
CCC1=NN(C)C(CC)=C1NC1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258307	0	45	-1.0	-47.10	369.86	7.25	-39.85
CCC1=NN(C)C(CC)=C1NC1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258307	1	45	-1.0	-47.15	369.92	7.27	-39.88
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258308	0	42	-1.0	-48.64	349.35	6.53	-42.11
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258308	1	42	-1.0	-48.65	349.29	6.50	-42.15
CCC1=NN(C)C(CC)=C1NC1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258309	0	49	-1.0	-49.36	402.33	9.37	-39.99
CCC1=NN(C)C(CC)=C1NC1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258309	1	49	-1.0	-49.34	402.36	9.36	-39.98
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020258310	0	43	-1.0	-39.79	328.41	5.18	-34.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020258310	1	43	-1.0	-39.79	328.47	5.19	-34.60
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020258311	0	47	-1.0	-42.48	359.77	7.44	-35.04
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020258311	1	47	-1.0	-42.54	359.81	7.43	-35.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020258312	0	41	-1.0	-42.09	324.64	4.52	-37.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020258312	1	41	-1.0	-42.06	324.70	4.54	-37.52
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020258313	0	45	-1.0	-42.53	359.77	6.56	-35.97
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020258313	1	45	-1.0	-42.56	359.82	6.55	-36.01
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258314	0	46	-1.0	-42.07	379.26	8.95	-33.12
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258314	1	46	-1.0	-42.04	379.30	8.94	-33.10
CC1=CC(C)=CC(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020258315	0	49	-1.0	-41.88	402.20	7.92	-33.96
CC1=CC(C)=CC(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020258315	1	49	-1.0	-41.93	402.26	7.94	-33.99
CC1=CC(C)=CC(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020258316	0	46	-1.0	-43.61	381.72	7.20	-36.41
CC1=CC(C)=CC(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020258316	1	46	-1.0	-43.67	381.77	7.23	-36.44
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@H+](CC)CC1	REAL300020258317	0	56	0.0	-62.32	407.74	6.04	-56.28
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[N@@H+](CC)CC1	REAL300020258317	1	56	0.0	-60.70	389.30	5.93	-54.77
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+](CC)CC1	REAL300020258317	1	56	0.0	-62.32	407.79	6.05	-56.27
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+](CC)CC1	REAL300020258317	1	56	0.0	-60.69	389.36	5.94	-54.75
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+](CC)CC1	REAL300020258318	0	53	0.0	-59.44	386.23	5.24	-54.20
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+](CC)CC1	REAL300020258318	1	53	0.0	-61.66	374.20	5.06	-56.60
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+](CC)CC1	REAL300020258318	1	53	0.0	-59.48	386.29	5.27	-54.21
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+](CC)CC1	REAL300020258318	1	53	0.0	-61.67	374.25	5.08	-56.59
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CC(F)(F)C1	REAL300020258319	0	40	-1.0	-44.56	338.54	7.78	-36.78
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CC(F)(F)C1	REAL300020258319	1	40	-1.0	-44.57	338.57	7.77	-36.80
COC1CCC1N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258320	0	44	-1.0	-45.61	355.33	6.87	-38.74
COC1CCC1N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258320	1	44	-1.0	-45.61	355.38	6.84	-38.77
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258321	0	41	-1.0	-41.92	330.51	4.44	-37.48
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258321	1	41	-1.0	-41.89	330.56	4.46	-37.43
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020258322	0	45	-1.0	-43.46	374.70	7.21	-36.25
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020258322	1	45	-1.0	-43.45	374.74	7.20	-36.25
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258323	0	41	-1.0	-41.46	339.65	7.28	-34.18
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258323	1	41	-1.0	-41.46	339.71	7.29	-34.17
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020258324	0	45	-1.0	-43.42	372.28	9.22	-34.20
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020258324	1	45	-1.0	-43.43	372.35	9.20	-34.23
COC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020258325	0	47	-1.0	-40.52	370.41	6.21	-34.31
COC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020258325	1	47	-1.0	-40.55	370.47	6.22	-34.33
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020258326	0	44	-1.0	-47.46	358.94	7.26	-40.20
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020258326	1	44	-1.0	-47.46	358.88	7.23	-40.23
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300020258327	0	43	-1.0	-40.87	354.49	7.74	-33.13
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300020258327	1	43	-1.0	-40.91	354.55	7.76	-33.15
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300020258328	0	40	-1.0	-43.08	333.00	6.96	-36.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300020258328	1	40	-1.0	-43.09	333.05	6.98	-36.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020258329	0	49	-1.0	-39.89	378.12	8.37	-31.52
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020258329	1	49	-1.0	-39.88	378.18	8.39	-31.49
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020258330	0	46	-1.0	-42.05	356.62	7.59	-34.46
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020258330	1	46	-1.0	-42.05	356.68	7.61	-34.44
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020258331	0	53	-1.0	-42.53	404.14	10.63	-31.90
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020258331	1	53	-1.0	-42.53	404.18	10.61	-31.92
CC1=NC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=NO1	REAL300020258332	0	43	-1.0	-44.09	359.68	3.94	-40.15
CC1=NC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=NO1	REAL300020258332	1	43	-1.0	-44.10	359.74	3.96	-40.14
CC1=NC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=NO1	REAL300020258333	0	40	-1.0	-47.65	332.32	3.17	-44.48
CC1=NC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=NO1	REAL300020258333	1	40	-1.0	-47.65	332.38	3.19	-44.46
CC1=NC(N2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2)=NO1	REAL300020258334	0	47	-1.0	-47.67	384.72	6.05	-41.62
CC1=NC(N2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2)=NO1	REAL300020258334	1	47	-1.0	-47.67	384.76	6.04	-41.63
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[C@H]1C	REAL300020258335	0	43	-1.0	-42.33	340.49	5.18	-37.15
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[C@H]1C	REAL300020258335	1	43	-1.0	-42.33	340.55	5.20	-37.13
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC[C@H]1C	REAL300020258336	0	47	-1.0	-44.66	371.35	7.26	-37.40
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[C@H]1C	REAL300020258336	1	47	-1.0	-44.71	371.38	7.26	-37.45
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020258337	0	40	-1.0	-42.22	324.74	3.07	-39.15
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020258337	1	40	-1.0	-42.19	324.80	3.08	-39.11
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020258338	0	44	-1.0	-44.81	356.59	5.17	-39.64
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020258338	1	44	-1.0	-44.81	356.62	5.16	-39.65
COC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCO2)C=C1OC	REAL300020258339	0	49	-1.0	-47.86	401.12	5.27	-42.59
COC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCO2)C=C1OC	REAL300020258339	1	49	-1.0	-47.88	401.18	5.30	-42.58
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1COC	REAL300020258340	0	47	-1.0	-43.10	370.37	3.63	-39.47
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1COC	REAL300020258340	1	47	-1.0	-43.06	370.43	3.64	-39.42
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1COC	REAL300020258341	0	44	-1.0	-46.31	348.88	2.83	-43.48
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1COC	REAL300020258341	1	44	-1.0	-46.30	348.94	2.86	-43.44
COC[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H]1COC	REAL300020258342	0	51	-1.0	-44.97	405.30	5.81	-39.16
COC[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H]1COC	REAL300020258342	1	51	-1.0	-44.93	405.34	5.79	-39.14
COC(=O)CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258343	0	49	-1.0	-44.00	396.84	6.33	-37.67
COC(=O)CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258343	1	49	-1.0	-44.04	396.90	6.34	-37.70
COC(=O)CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258344	0	46	-1.0	-47.09	376.44	5.57	-41.52
COC(=O)CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258344	1	46	-1.0	-47.14	376.50	5.59	-41.55
CC1CN(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)S(=O)(=O)C1	REAL300020258345	0	51	-1.0	-49.93	407.36	4.16	-45.77
CC1CN(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)S(=O)(=O)C1	REAL300020258345	1	51	-1.0	-49.92	407.42	4.17	-45.75
CC1CN(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)S(=O)(=O)C1	REAL300020258346	0	48	-1.0	-56.96	386.96	3.39	-53.57
CC1CN(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)S(=O)(=O)C1	REAL300020258346	1	48	-1.0	-56.99	387.02	3.42	-53.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020258347	0	47	-1.0	-48.67	368.00	2.35	-46.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020258347	1	47	-1.0	-48.66	368.05	2.36	-46.30
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020258348	0	44	-1.0	-50.06	346.50	1.56	-48.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020258348	1	44	-1.0	-50.09	346.56	1.59	-48.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020258349	0	40	-1.0	-43.45	304.94	1.74	-41.71
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020258349	1	40	-1.0	-43.44	305.00	1.75	-41.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020258350	0	37	-1.0	-46.12	301.46	2.60	-43.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020258350	1	37	-1.0	-46.16	301.52	2.62	-43.54
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020258351	0	44	-1.0	-47.00	335.03	3.73	-43.27
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020258351	1	44	-1.0	-46.95	335.06	3.73	-43.22
CC(C)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258352	0	48	-1.0	-41.69	384.01	8.90	-32.79
CC(C)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258352	1	48	-1.0	-41.67	384.06	8.89	-32.78
CN(CCN1C=CN=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258353	0	39	-1.0	-45.88	331.66	6.53	-39.35
CN(CCN1C=CN=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258353	1	39	-1.0	-45.90	331.72	6.55	-39.35
CN(CCN1C=CN=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258354	0	43	-1.0	-49.25	359.32	8.80	-40.45
CN(CCN1C=CN=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258354	1	43	-1.0	-49.18	359.35	8.79	-40.39
CN(CCCN1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258355	0	48	-1.0	-41.04	380.69	3.25	-37.79
CN(CCCN1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258355	1	48	-1.0	-41.09	380.74	3.26	-37.83
CN(CCC[NH+]1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258355	1	49	0.0	-68.37	375.47	5.73	-62.64
CN(CCCN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258356	0	45	-1.0	-42.73	359.19	2.46	-40.27
CN(CCCN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258356	1	45	-1.0	-42.78	359.25	2.49	-40.29
CN(CCC[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258356	1	46	0.0	-68.21	354.92	4.99	-63.22
CN(CCCN1CCOCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258357	0	52	-1.0	-43.44	411.66	5.34	-38.10
CN(CCCN1CCOCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258357	1	52	-1.0	-43.37	411.71	5.33	-38.04
CN(CCC[NH+]1CCOCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258357	1	53	0.0	-72.47	409.81	7.75	-64.72
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020258358	0	47	-1.0	-42.91	383.41	6.28	-36.63
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020258358	1	47	-1.0	-42.89	383.47	6.30	-36.59
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020258359	0	44	-1.0	-46.64	360.70	5.48	-41.16
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020258359	1	44	-1.0	-46.67	360.76	5.50	-41.17
CN(CC1CCSCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258360	0	43	-1.0	-41.86	345.66	7.59	-34.27
CN(CC1CCSCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258360	1	43	-1.0	-41.82	345.72	7.61	-34.21
CN(CC1CCSCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258361	0	40	-1.0	-44.87	325.10	6.84	-38.03
CN(CC1CCSCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258361	1	40	-1.0	-44.88	325.16	6.87	-38.01
CN(CC1CCSCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258362	0	47	-1.0	-44.53	377.51	9.71	-34.82
CN(CC1CCSCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258362	1	47	-1.0	-44.57	377.53	9.71	-34.86
CN(CC1=CN=CN1C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258363	0	39	-1.0	-42.84	323.26	6.23	-36.61
CN(CC1=CN=CN1C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258363	1	39	-1.0	-42.87	323.32	6.24	-36.63
CN(CC1=CN=CN1C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258364	0	43	-1.0	-45.48	355.16	8.35	-37.13
CN(CC1=CN=CN1C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258364	1	43	-1.0	-45.45	355.22	8.35	-37.10
COC(=O)[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C[C@H]1C[N@H+](C)CC2	REAL300020258365	0	52	0.0	-70.32	396.22	6.95	-63.37
COC(=O)[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C[C@H]1C[N@@H+](C)CC2	REAL300020258365	1	52	0.0	-79.13	400.76	7.12	-72.01
COC(=O)[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C[C@H]1C[N@H+](C)CC2	REAL300020258365	1	52	0.0	-70.31	396.28	6.96	-63.35
COC(=O)[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C[C@H]1C[N@@H+](C)CC2	REAL300020258365	1	52	0.0	-79.12	400.82	7.14	-71.98
COC(=O)[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3C)C[C@H]1C[N@H+](C)CC2	REAL300020258366	0	49	0.0	-77.76	372.11	6.02	-71.74
COC(=O)[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3C)C[C@H]1C[N@@H+](C)CC2	REAL300020258366	1	49	0.0	-78.75	379.25	6.34	-72.41
COC(=O)[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3C)C[C@H]1C[N@H+](C)CC2	REAL300020258366	1	49	0.0	-77.72	372.17	6.04	-71.68
COC(=O)[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3C)C[C@H]1C[N@@H+](C)CC2	REAL300020258366	1	49	0.0	-78.81	379.31	6.36	-72.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C(F)(F)F)=C1F	REAL300020258367	0	43	-1.0	-42.51	365.75	7.22	-35.29
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C(F)(F)F)=C1F	REAL300020258367	1	43	-1.0	-42.53	365.81	7.24	-35.29
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C)(C)CO1	REAL300020258368	0	46	-1.0	-40.14	352.32	5.03	-35.11
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C)(C)CO1	REAL300020258368	1	46	-1.0	-40.14	352.38	5.04	-35.10
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C)(C)CO1	REAL300020258369	0	43	-1.0	-42.90	331.81	4.27	-38.63
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C)(C)CO1	REAL300020258369	1	43	-1.0	-42.95	331.86	4.29	-38.66
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(C)(C)CO1	REAL300020258370	0	50	-1.0	-42.67	384.15	7.12	-35.55
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(C)(C)CO1	REAL300020258370	1	50	-1.0	-42.58	384.19	7.13	-35.45
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020258371	0	48	-1.0	-42.73	377.53	2.46	-40.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020258371	1	48	-1.0	-42.77	377.59	2.47	-40.30
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020258372	0	45	-1.0	-44.89	356.04	1.67	-43.22
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020258372	1	45	-1.0	-44.90	356.09	1.70	-43.20
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020258373	0	52	-1.0	-46.35	401.15	4.63	-41.72
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020258373	1	52	-1.0	-46.36	401.16	4.62	-41.74
COC(=O)C1(C2(O)CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)CCOCC1	REAL300020258374	0	51	-1.0	-44.34	371.91	1.41	-42.93
COC(=O)C1(C2(O)CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)CCOCC1	REAL300020258374	1	51	-1.0	-44.29	371.96	1.44	-42.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NSC3=CC=CC=C32)CC1	REAL300020258375	0	47	-1.0	-45.62	388.02	7.44	-38.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NSC3=CC=CC=C32)CC1	REAL300020258375	1	47	-1.0	-45.57	387.96	7.43	-38.14
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NSC3=CC=CC=C32)CC1	REAL300020258376	0	44	-1.0	-48.69	366.48	6.67	-42.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NSC3=CC=CC=C32)CC1	REAL300020258376	1	44	-1.0	-48.71	366.43	6.64	-42.07
COCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258377	0	46	-1.0	-42.59	356.17	5.24	-37.35
COCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258377	1	46	-1.0	-42.58	356.23	5.25	-37.33
COCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258378	0	43	-1.0	-45.80	339.36	5.04	-40.76
COCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258378	1	43	-1.0	-45.79	339.42	5.07	-40.72
COCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020258379	0	50	-1.0	-43.85	396.09	7.85	-36.00
COCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020258379	1	50	-1.0	-43.84	396.14	7.84	-36.00
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(CCO)C(=O)OC(C)(C)C)C1	REAL300020258380	0	54	-1.0	-52.81	420.10	4.12	-48.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(CCO)C(=O)OC(C)(C)C)C1	REAL300020258380	1	54	-1.0	-52.80	420.16	4.15	-48.65
CN1C=NC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258381	0	46	-1.0	-45.28	365.89	8.09	-37.19
CN1C=NC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258381	1	46	-1.0	-45.25	365.95	8.10	-37.15
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258381	1	47	0.0	-66.73	369.38	8.62	-58.11
CN1C=NC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258382	0	43	-1.0	-48.81	345.48	7.33	-41.48
CN1C=NC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258382	1	43	-1.0	-48.81	345.54	7.35	-41.46
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258382	1	44	0.0	-66.60	347.89	7.83	-58.77
CN1C=NC=C1C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020258383	0	50	-1.0	-47.99	398.15	10.20	-37.79
CN1C=NC=C1C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020258383	1	50	-1.0	-48.01	398.19	10.18	-37.83
CN1C=[NH+]C=C1C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020258383	1	51	0.0	-71.11	401.33	10.70	-60.41
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020258384	0	40	-1.0	-44.08	346.89	6.95	-37.13
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020258384	1	40	-1.0	-44.07	346.95	6.97	-37.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020258385	0	37	-1.0	-47.36	325.39	6.18	-41.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020258385	1	37	-1.0	-47.38	325.45	6.20	-41.18
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258386	0	41	-1.0	-42.05	326.72	5.47	-36.58
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258386	1	41	-1.0	-42.06	326.78	5.49	-36.57
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258387	0	45	-1.0	-43.70	361.29	7.64	-36.06
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258387	1	45	-1.0	-43.71	361.34	7.63	-36.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020258388	0	40	-1.0	-40.60	353.69	7.90	-32.70
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020258388	1	40	-1.0	-40.63	353.75	7.91	-32.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020258389	0	37	-1.0	-44.30	333.24	7.13	-37.17
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020258389	1	37	-1.0	-44.30	333.30	7.16	-37.14
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300020258390	0	54	0.0	-60.07	395.62	6.97	-53.10
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300020258390	1	54	0.0	-60.10	395.68	6.98	-53.12
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300020258391	0	51	0.0	-62.16	375.24	6.24	-55.92
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300020258391	1	51	0.0	-62.13	375.30	6.26	-55.87
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300020258392	0	58	0.0	-64.50	423.44	9.63	-54.87
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CC[NH+](C(C)(C)C)CC1	REAL300020258392	1	58	0.0	-64.45	423.53	9.62	-54.83
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020258393	0	40	-1.0	-40.28	352.13	7.85	-32.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020258393	1	40	-1.0	-40.29	352.19	7.87	-32.42
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020258394	0	37	-1.0	-43.56	331.68	7.09	-36.47
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020258394	1	37	-1.0	-43.56	331.74	7.11	-36.45
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258395	0	44	-1.0	-43.25	362.01	7.52	-35.73
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258395	1	44	-1.0	-43.21	362.07	7.53	-35.68
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258396	0	41	-1.0	-46.51	341.52	6.79	-39.72
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258396	1	41	-1.0	-46.50	341.46	6.77	-39.73
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258397	0	48	-1.0	-45.95	393.82	9.62	-36.33
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258397	1	48	-1.0	-45.86	393.86	9.60	-36.26
CC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1F	REAL300020258398	0	43	-1.0	-42.77	357.29	8.06	-34.71
CC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1F	REAL300020258398	1	43	-1.0	-42.75	357.35	8.08	-34.67
CC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1F	REAL300020258399	0	40	-1.0	-47.46	329.58	6.35	-41.11
CC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1F	REAL300020258399	1	40	-1.0	-47.43	329.52	6.33	-41.10
CC1=CC=C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2=C1F	REAL300020258400	0	47	-1.0	-44.29	384.44	10.30	-33.99
CC1=CC=C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2=C1F	REAL300020258400	1	47	-1.0	-44.29	384.48	10.29	-34.00
CC1=CC(F)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020258401	0	43	-1.0	-42.02	358.06	8.23	-33.79
CC1=CC(F)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020258401	1	43	-1.0	-42.06	358.12	8.25	-33.81
CC1=CC(F)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020258402	0	40	-1.0	-44.61	329.74	6.33	-38.28
CC1=CC(F)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020258402	1	40	-1.0	-44.62	329.69	6.31	-38.31
CC1=CC(F)=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CCC2=C1	REAL300020258403	0	47	-1.0	-46.22	382.79	9.18	-37.04
CC1=CC(F)=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CCC2=C1	REAL300020258403	1	47	-1.0	-46.24	382.83	9.16	-37.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CN=CN2C(C)(C)C)C1	REAL300020258404	0	55	-1.0	-45.65	419.64	9.31	-36.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CN=CN2C(C)(C)C)C1	REAL300020258404	1	55	-1.0	-45.66	419.70	9.32	-36.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CN=CN2C(C)(C)C)C1	REAL300020258405	0	52	-1.0	-49.82	392.17	8.57	-41.25
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CN=CN2C(C)(C)C)C1	REAL300020258405	1	52	-1.0	-49.85	392.22	8.59	-41.26
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258406	0	47	-1.0	-43.00	351.59	5.98	-37.02
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258406	1	47	-1.0	-42.99	351.65	5.99	-37.00
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258407	0	44	-1.0	-44.89	331.49	5.01	-39.88
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258407	1	44	-1.0	-44.88	331.55	5.04	-39.84
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258408	0	51	-1.0	-42.13	384.18	8.51	-33.62
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258408	1	51	-1.0	-42.06	384.22	8.50	-33.56
CC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020258409	0	49	-1.0	-41.26	385.38	9.62	-31.64
CC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020258409	1	49	-1.0	-41.28	385.44	9.64	-31.64
CC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020258410	0	46	-1.0	-44.10	364.97	8.86	-35.24
CC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020258410	1	46	-1.0	-44.13	365.03	8.89	-35.24
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC3=CC=CC=C3C2=O)CC1	REAL300020258411	0	48	-1.0	-50.25	387.94	8.11	-42.14
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC3=CC=CC=C3C2=O)CC1	REAL300020258411	1	48	-1.0	-50.23	387.88	8.08	-42.15
CC1=CC(Cl)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020258412	0	43	-1.0	-41.29	366.83	8.60	-32.69
CC1=CC(Cl)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020258412	1	43	-1.0	-41.33	366.89	8.62	-32.71
CC1=CC(Cl)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020258413	0	40	-1.0	-44.08	338.45	6.69	-37.39
CC1=CC(Cl)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020258413	1	40	-1.0	-44.12	338.51	6.71	-37.41
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020258414	0	41	-1.0	-41.00	314.61	6.58	-34.42
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020258414	1	41	-1.0	-40.98	314.66	6.59	-34.39
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020258415	0	45	-1.0	-43.59	345.84	8.68	-34.91
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020258415	1	45	-1.0	-43.58	345.88	8.65	-34.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020258416	0	43	-1.0	-49.25	346.17	3.27	-45.98
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020258416	1	43	-1.0	-49.26	346.23	3.29	-45.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020258417	0	40	-1.0	-52.07	325.76	2.53	-49.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020258417	1	40	-1.0	-52.07	325.81	2.55	-49.52
CCOC(=O)C1(F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC12COC2	REAL300020258418	0	47	-1.0	-42.17	383.27	4.96	-37.21
CCOC(=O)C1(F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC12COC2	REAL300020258418	1	47	-1.0	-42.15	383.32	4.97	-37.18
CCOC(=O)C1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC12COC2	REAL300020258419	0	44	-1.0	-41.77	363.58	4.31	-37.46
CCOC(=O)C1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC12COC2	REAL300020258419	1	44	-1.0	-41.74	363.64	4.33	-37.41
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020258420	0	42	-1.0	-42.63	331.13	3.86	-38.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020258420	1	42	-1.0	-42.61	331.19	3.88	-38.73
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020258421	0	39	-1.0	-45.57	310.58	3.10	-42.47
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020258421	1	39	-1.0	-45.59	310.64	3.12	-42.47
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020258422	0	46	-1.0	-45.33	363.02	5.97	-39.36
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020258422	1	46	-1.0	-45.31	363.04	5.96	-39.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020258423	0	52	0.0	-76.97	411.83	9.82	-67.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CC=C(F)C=C2)CC1	REAL300020258423	1	51	-1.0	-42.93	410.28	7.57	-35.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CC=C(F)C=C2)CC1	REAL300020258423	1	51	-1.0	-42.97	410.34	7.59	-35.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020258424	0	49	0.0	-77.21	391.36	9.05	-68.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020258424	1	49	0.0	-77.24	391.42	9.07	-68.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CC=C(F)C=C2)CC1	REAL300020258424	1	48	-1.0	-45.39	388.79	6.79	-38.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CC=C(F)C=C2)CC1	REAL300020258424	1	48	-1.0	-45.40	388.84	6.81	-38.59
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1COC	REAL300020258425	0	47	-1.0	-42.56	380.02	3.94	-38.62
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1COC	REAL300020258425	1	47	-1.0	-42.61	380.08	3.95	-38.66
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1COC	REAL300020258426	0	44	-1.0	-44.84	357.41	3.10	-41.74
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1COC	REAL300020258426	1	44	-1.0	-44.85	357.47	3.13	-41.72
COC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H]1COC	REAL300020258427	0	51	-1.0	-45.02	410.06	6.09	-38.93
COC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H]1COC	REAL300020258427	1	51	-1.0	-45.03	409.84	6.07	-38.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C2=CC=C(Cl)C=C2)C1	REAL300020258428	0	43	-1.0	-45.59	371.66	8.40	-37.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C2=CC=C(Cl)C=C2)C1	REAL300020258428	1	43	-1.0	-45.62	371.71	8.42	-37.20
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258429	0	45	-1.0	-40.77	339.57	7.26	-33.51
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258429	1	45	-1.0	-40.83	339.63	7.27	-33.56
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020258430	0	49	-1.0	-43.31	372.50	8.71	-34.60
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020258430	1	49	-1.0	-43.29	372.55	8.71	-34.58
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020258431	0	44	-1.0	-42.52	349.92	5.59	-36.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020258431	1	44	-1.0	-42.52	349.97	5.61	-36.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020258432	0	41	-1.0	-45.03	328.41	4.81	-40.22
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020258432	1	41	-1.0	-45.01	328.47	4.83	-40.18
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC12CC2	REAL300020258433	0	41	-1.0	-42.00	336.76	4.99	-37.01
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC12CC2	REAL300020258433	1	41	-1.0	-42.02	336.81	5.01	-37.01
COC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC12CC2	REAL300020258434	0	45	-1.0	-44.27	367.21	7.08	-37.19
COC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC12CC2	REAL300020258434	1	45	-1.0	-44.20	367.24	7.06	-37.14
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020258435	0	47	-1.0	-50.37	363.64	5.41	-44.96
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020258435	1	47	-1.0	-50.39	363.69	5.42	-44.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020258436	0	44	-1.0	-51.20	346.58	4.64	-46.56
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020258436	1	44	-1.0	-51.17	346.64	4.66	-46.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020258437	0	51	-1.0	-52.01	394.69	7.47	-44.54
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020258437	1	51	-1.0	-51.97	394.73	7.46	-44.51
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258438	0	46	-1.0	-48.51	364.26	5.55	-42.96
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258438	1	46	-1.0	-48.46	364.32	5.56	-42.90
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258439	0	43	-1.0	-54.29	342.92	4.76	-49.53
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258439	1	43	-1.0	-54.26	342.98	4.79	-49.47
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258440	0	50	-1.0	-50.10	396.29	7.64	-42.46
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258440	1	50	-1.0	-50.08	396.34	7.64	-42.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020258441	0	40	-1.0	-50.22	325.76	5.34	-44.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020258441	1	40	-1.0	-50.28	325.81	5.35	-44.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020258442	0	37	-1.0	-51.46	305.36	4.59	-46.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020258442	1	37	-1.0	-51.49	305.42	4.61	-46.88
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020258443	0	44	-1.0	-51.73	357.61	7.44	-44.29
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020258443	1	44	-1.0	-51.73	357.62	7.42	-44.31
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258444	0	46	-1.0	-46.63	360.30	5.98	-40.65
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258444	1	46	-1.0	-46.65	360.36	5.99	-40.66
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258445	0	43	-1.0	-47.86	338.86	5.19	-42.67
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258445	1	43	-1.0	-47.83	338.92	5.21	-42.62
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258446	0	50	-1.0	-49.78	398.57	7.12	-42.66
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258446	1	50	-1.0	-49.71	398.62	7.12	-42.59
CC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCN21	REAL300020258447	0	40	-1.0	-47.92	327.23	4.88	-43.04
CC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCN21	REAL300020258447	1	40	-1.0	-47.91	327.29	4.90	-43.01
CC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCN21	REAL300020258448	0	37	-1.0	-50.30	305.75	4.09	-46.21
CC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCN21	REAL300020258448	1	37	-1.0	-50.31	305.80	4.11	-46.20
CC1=NC=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CCN21	REAL300020258449	0	44	-1.0	-47.84	352.57	7.63	-40.21
CC1=NC=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CCN21	REAL300020258449	1	44	-1.0	-47.84	352.61	7.62	-40.22
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300020258450	0	56	-1.0	-51.52	420.22	7.10	-44.42
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300020258450	1	56	-1.0	-51.53	420.28	7.11	-44.42
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300020258451	0	53	-1.0	-54.72	400.29	6.34	-48.38
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300020258451	1	53	-1.0	-54.74	400.35	6.36	-48.38
CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258452	0	54	-1.0	-47.71	430.21	3.12	-44.59
CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258452	1	54	-1.0	-47.72	430.27	3.14	-44.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@](C(F)(F)F)(CCS2(=O)=O)C1	REAL300020258453	0	40	-1.0	-47.24	342.52	2.29	-44.95
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@](C(F)(F)F)(CCS2(=O)=O)C1	REAL300020258453	1	40	-1.0	-47.24	342.58	2.31	-44.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020258454	0	47	-1.0	-42.21	375.77	5.42	-36.79
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020258454	1	47	-1.0	-42.23	375.82	5.44	-36.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020258455	0	44	-1.0	-44.39	354.23	4.66	-39.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020258455	1	44	-1.0	-44.41	354.28	4.68	-39.73
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020258456	0	51	-1.0	-44.44	406.78	7.49	-36.95
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020258456	1	51	-1.0	-44.47	406.83	7.49	-36.98
COCCOCCOCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258457	0	57	-1.0	-46.77	456.40	5.58	-41.19
COCCOCCOCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258457	1	57	-1.0	-46.85	456.45	5.60	-41.25
COC1=C(F)C=CC=C1CC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258458	0	50	-1.0	-44.89	396.49	7.45	-37.44
COC1=C(F)C=CC=C1CC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258458	1	50	-1.0	-44.90	396.54	7.47	-37.43
COC1=C(F)C=CC=C1CC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258459	0	47	-1.0	-47.38	375.14	6.94	-40.44
COC1=C(F)C=CC=C1CC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258459	1	47	-1.0	-47.42	375.20	6.96	-40.46
COC1=CC=C2C(=C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2C	REAL300020258460	0	47	-1.0	-42.59	367.64	7.37	-35.22
COC1=CC=C2C(=C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2C	REAL300020258460	1	47	-1.0	-42.55	367.70	7.39	-35.16
COC1=CC=C2C(=C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2C	REAL300020258461	0	44	-1.0	-44.59	354.62	5.72	-38.87
COC1=CC=C2C(=C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2C	REAL300020258461	1	44	-1.0	-44.55	354.57	5.69	-38.86
CCC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020258462	0	46	-1.0	-40.15	374.38	8.79	-31.36
CCC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020258462	1	46	-1.0	-40.21	374.44	8.81	-31.40
CCC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020258463	0	43	-1.0	-42.36	352.94	8.02	-34.34
CCC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020258463	1	43	-1.0	-42.34	352.88	8.00	-34.34
CCC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CCC2=C1	REAL300020258464	0	50	-1.0	-42.27	406.25	10.88	-31.39
CCC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CCC2=C1	REAL300020258464	1	50	-1.0	-42.19	406.30	10.88	-31.31
CC1N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCC1(C)C	REAL300020258465	0	46	-1.0	-42.44	362.32	8.12	-34.32
CC1N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCC1(C)C	REAL300020258465	1	46	-1.0	-42.44	362.36	8.11	-34.33
COC1=CC=C(C[C@@H]2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1OC	REAL300020258466	0	54	-1.0	-47.63	425.19	7.40	-40.23
COC1=CC=C(C[C@@H]2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1OC	REAL300020258466	1	54	-1.0	-47.64	425.25	7.41	-40.23
COC1=CC=C(C[C@@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1OC	REAL300020258467	0	51	-1.0	-49.27	403.69	6.60	-42.67
COC1=CC=C(C[C@@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1OC	REAL300020258467	1	51	-1.0	-49.25	403.75	6.63	-42.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCN2CCCS2(=O)=O)CC1	REAL300020258468	0	51	-1.0	-55.50	409.34	4.35	-51.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCN2CCCS2(=O)=O)CC1	REAL300020258468	1	51	-1.0	-55.53	409.40	4.37	-51.16
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020258469	0	37	-1.0	-45.50	301.41	0.86	-44.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020258469	1	37	-1.0	-45.51	301.36	0.85	-44.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020258470	0	34	-1.0	-45.51	279.85	0.05	-45.46
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020258470	1	34	-1.0	-45.49	279.91	0.07	-45.42
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020258471	0	41	-1.0	-48.41	332.63	2.92	-45.49
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020258471	1	41	-1.0	-48.44	332.67	2.92	-45.52
COCC1(C(=O)OC(C)(C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258472	0	55	-1.0	-48.89	426.66	7.44	-41.45
COCC1(C(=O)OC(C)(C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258472	1	55	-1.0	-48.89	426.72	7.46	-41.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020258473	0	34	-1.0	-40.04	300.91	6.01	-34.03
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020258473	1	34	-1.0	-40.02	300.97	6.03	-33.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020258474	0	31	-1.0	-42.42	279.42	5.23	-37.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020258474	1	31	-1.0	-42.43	279.47	5.25	-37.18
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(Br)CC1	REAL300020258475	0	38	-1.0	-42.68	332.01	8.10	-34.58
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(Br)CC1	REAL300020258475	1	38	-1.0	-42.69	331.82	8.09	-34.60
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020258476	0	50	-1.0	-40.85	394.24	10.10	-30.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020258476	1	50	-1.0	-40.84	394.30	10.12	-30.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020258477	0	47	-1.0	-42.24	370.58	8.86	-33.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020258477	1	47	-1.0	-42.23	370.64	8.88	-33.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020258478	0	53	0.0	-68.23	388.02	8.52	-59.71
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020258478	1	53	0.0	-68.23	388.08	8.54	-59.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020258479	0	50	0.0	-69.87	365.34	7.68	-62.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020258479	1	50	0.0	-69.88	365.39	7.70	-62.18
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC12CCC2	REAL300020258480	0	46	-1.0	-45.62	368.30	6.88	-38.74
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC12CCC2	REAL300020258480	1	46	-1.0	-45.64	368.36	6.90	-38.74
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC12CCC2	REAL300020258481	0	43	-1.0	-47.99	351.65	6.06	-41.93
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC12CCC2	REAL300020258481	1	43	-1.0	-47.98	351.71	6.08	-41.90
COC(=O)C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC12CCC2	REAL300020258482	0	50	-1.0	-47.77	399.42	8.94	-38.83
COC(=O)C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC12CCC2	REAL300020258482	1	50	-1.0	-47.78	399.46	8.92	-38.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020258483	0	45	-1.0	-42.90	367.87	7.17	-35.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020258483	1	45	-1.0	-42.90	367.93	7.18	-35.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020258484	0	42	-1.0	-44.13	343.77	6.84	-37.29
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020258484	1	42	-1.0	-44.12	343.82	6.87	-37.25
CC1=NN=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)S1	REAL300020258485	0	44	-1.0	-45.13	368.82	5.86	-39.27
CC1=NN=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)S1	REAL300020258485	1	44	-1.0	-45.16	368.88	5.87	-39.29
CC1=NN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)S1	REAL300020258486	0	41	-1.0	-49.17	348.41	5.10	-44.07
CC1=NN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)S1	REAL300020258486	1	41	-1.0	-49.18	348.47	5.12	-44.06
COCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020258487	0	44	-1.0	-41.99	360.49	3.71	-38.28
COCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020258487	1	44	-1.0	-42.03	360.55	3.73	-38.30
COCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020258488	0	41	-1.0	-44.06	337.94	2.89	-41.17
COCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020258488	1	41	-1.0	-44.07	338.00	2.92	-41.15
COCCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020258489	0	48	-1.0	-44.18	391.95	5.58	-38.60
COCCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020258489	1	48	-1.0	-44.15	392.00	5.57	-38.58
CN(C)C1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=N1	REAL300020258490	0	46	-1.0	-43.80	372.27	8.11	-35.69
CN(C)C1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=N1	REAL300020258490	1	46	-1.0	-43.80	372.32	8.13	-35.67
CN(C)C1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=N1	REAL300020258491	0	43	-1.0	-46.42	351.28	7.23	-39.19
CN(C)C1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=N1	REAL300020258491	1	43	-1.0	-46.43	351.34	7.26	-39.17
CC1=CC(C)=NN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258492	0	49	-1.0	-43.65	390.12	7.44	-36.21
CC1=CC(C)=NN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258492	1	49	-1.0	-43.66	390.18	7.45	-36.21
CC1=CC(C)=NN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258493	0	46	-1.0	-47.51	369.71	6.68	-40.83
CC1=CC(C)=NN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258493	1	46	-1.0	-47.52	369.77	6.71	-40.81
CCN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258494	0	45	-1.0	-42.42	381.07	8.85	-33.57
CCN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258494	1	45	-1.0	-42.43	381.13	8.86	-33.57
CCN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258495	0	42	-1.0	-42.70	360.90	8.16	-34.54
CCN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258495	1	42	-1.0	-42.76	360.95	8.18	-34.58
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020258496	0	41	-1.0	-43.50	334.88	3.70	-39.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020258496	1	41	-1.0	-43.49	334.94	3.71	-39.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020258497	0	38	-1.0	-45.81	311.72	2.74	-43.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020258497	1	38	-1.0	-45.84	311.66	2.71	-43.13
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020258498	0	45	-1.0	-46.24	368.26	5.95	-40.29
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020258498	1	45	-1.0	-46.14	368.30	5.94	-40.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020258499	0	44	-1.0	-41.49	364.42	8.57	-32.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020258499	1	44	-1.0	-41.49	364.47	8.59	-32.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020258500	0	41	-1.0	-43.91	342.84	7.78	-36.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020258500	1	41	-1.0	-43.94	342.89	7.80	-36.14
CN(CC1=CC=CC=C1N1C=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258501	0	47	-1.0	-44.04	384.50	10.05	-33.99
CN(CC1=CC=CC=C1N1C=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258501	1	47	-1.0	-44.03	384.55	10.07	-33.96
CN(CC1=CC=CC=C1N1C=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258502	0	44	-1.0	-49.59	364.01	9.32	-40.27
CN(CC1=CC=CC=C1N1C=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258502	1	44	-1.0	-49.58	363.95	9.29	-40.29
CC(C)CC1(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258503	0	48	-1.0	-40.88	364.34	8.59	-32.29
CC(C)CC1(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258503	1	48	-1.0	-40.87	364.40	8.61	-32.26
CC(C)CC1(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258504	0	45	-1.0	-43.88	342.78	7.81	-36.07
CC(C)CC1(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258504	1	45	-1.0	-43.93	342.86	7.83	-36.10
CC(C)CC1(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020258505	0	52	-1.0	-42.83	396.45	11.31	-31.52
CC(C)CC1(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020258505	1	52	-1.0	-42.85	396.47	11.31	-31.54
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020258506	0	46	-1.0	-43.81	363.53	5.15	-38.66
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020258506	1	46	-1.0	-43.78	363.59	5.16	-38.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020258507	0	43	-1.0	-47.76	336.47	4.65	-43.11
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020258507	1	43	-1.0	-47.72	336.52	4.68	-43.04
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020258508	0	50	-1.0	-47.49	388.78	7.53	-39.96
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020258508	1	50	-1.0	-47.54	388.81	7.52	-40.02
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258509	0	42	-1.0	-43.04	344.50	5.85	-37.19
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258509	1	42	-1.0	-43.04	344.56	5.86	-37.18
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258510	0	39	-1.0	-45.16	324.02	5.12	-40.04
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258510	1	39	-1.0	-45.16	323.96	5.10	-40.06
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258511	0	46	-1.0	-45.18	376.35	7.98	-37.20
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258511	1	46	-1.0	-45.18	376.39	7.97	-37.21
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(NC(=O)OC(C)(C)C)CC(C)(C)C1	REAL300020258512	0	56	-1.0	-46.81	428.60	5.90	-40.91
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(NC(=O)OC(C)(C)C)CC(C)(C)C1	REAL300020258512	1	56	-1.0	-46.82	428.66	5.93	-40.89
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258513	0	43	-1.0	-41.91	357.76	8.17	-33.74
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258513	1	43	-1.0	-41.87	357.80	8.16	-33.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020258514	0	44	-1.0	-40.78	348.54	5.43	-35.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020258514	1	44	-1.0	-40.78	348.60	5.44	-35.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020258515	0	41	-1.0	-46.63	321.48	4.91	-41.72
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020258515	1	41	-1.0	-46.64	321.54	4.94	-41.70
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020258516	0	48	-1.0	-46.88	369.81	7.18	-39.70
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020258516	1	48	-1.0	-46.83	369.85	7.17	-39.66
COC(=O)C1CC(C2=CC=CC=C2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258517	0	52	-1.0	-43.55	426.40	9.31	-34.24
COC(=O)C1CC(C2=CC=CC=C2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258517	1	52	-1.0	-43.55	426.45	9.32	-34.23
COC(=O)C1CC(C2=CC=CC=C2)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258518	0	49	-1.0	-44.60	392.27	8.81	-35.79
COC(=O)C1CC(C2=CC=CC=C2)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258518	1	49	-1.0	-44.63	392.33	8.84	-35.79
C=CCN(CC(=C)Br)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258519	0	37	-1.0	-41.93	333.26	5.68	-36.25
C=CCN(CC(=C)Br)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258519	1	37	-1.0	-41.96	333.32	5.69	-36.27
C=CCN(CC(=C)Br)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258520	0	34	-1.0	-41.05	307.75	5.36	-35.69
C=CCN(CC(=C)Br)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258520	1	34	-1.0	-41.05	307.81	5.38	-35.67
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258521	0	42	-1.0	-43.07	348.01	7.88	-35.19
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258521	1	42	-1.0	-43.02	348.07	7.89	-35.13
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258522	0	39	-1.0	-43.94	326.35	7.07	-36.87
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258522	1	39	-1.0	-43.94	326.29	7.05	-36.89
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258523	0	46	-1.0	-44.53	380.62	10.14	-34.39
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258523	1	46	-1.0	-44.45	380.67	10.13	-34.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020258524	0	35	-1.0	-50.03	299.45	4.32	-45.71
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020258524	1	35	-1.0	-50.02	299.50	4.33	-45.69
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020258525	0	39	-1.0	-52.85	331.24	6.41	-46.44
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020258525	1	39	-1.0	-52.85	331.27	6.40	-46.45
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020258526	0	41	-1.0	-41.73	325.05	4.48	-37.25
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020258526	1	41	-1.0	-41.76	325.11	4.49	-37.27
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020258527	0	45	-1.0	-43.24	360.39	6.53	-36.71
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020258527	1	45	-1.0	-43.21	360.44	6.52	-36.69
CN1C=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C2CC2)N=N1	REAL300020258528	0	42	-1.0	-47.22	351.87	5.25	-41.97
CN1C=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C2CC2)N=N1	REAL300020258528	1	42	-1.0	-47.25	351.92	5.27	-41.98
CN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C2CC2)N=N1	REAL300020258529	0	39	-1.0	-45.49	339.85	4.02	-41.47
CN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C2CC2)N=N1	REAL300020258529	1	39	-1.0	-45.45	339.79	4.00	-41.45
CN1C=C(CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C2CC2)N=N1	REAL300020258530	0	46	-1.0	-49.44	388.19	7.22	-42.22
CN1C=C(CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C2CC2)N=N1	REAL300020258530	1	46	-1.0	-49.37	388.24	7.22	-42.15
COC(=O)C1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CCO2	REAL300020258531	0	47	-1.0	-46.23	370.45	5.60	-40.63
COC(=O)C1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CCO2	REAL300020258531	1	47	-1.0	-46.25	370.51	5.61	-40.64
COC(=O)C1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CCO2	REAL300020258532	0	44	-1.0	-51.65	361.60	6.57	-45.08
COC(=O)C1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CCO2	REAL300020258532	1	44	-1.0	-51.61	361.66	6.60	-45.01
COC(=O)C1=NN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020258533	0	49	-1.0	-47.70	402.40	6.87	-40.83
COC(=O)C1=NN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020258533	1	49	-1.0	-47.73	402.34	6.85	-40.88
COC(=O)C1=NN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020258534	0	46	-1.0	-49.62	382.00	6.12	-43.50
COC(=O)C1=NN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020258534	1	46	-1.0	-49.61	381.95	6.09	-43.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300020258535	0	46	-1.0	-59.95	388.36	5.15	-54.80
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300020258535	1	46	-1.0	-59.93	388.42	5.17	-54.76
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H]1F	REAL300020258536	0	41	-1.0	-43.24	342.08	5.86	-37.38
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H]1F	REAL300020258536	1	41	-1.0	-43.23	342.12	5.84	-37.39
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258537	0	44	-1.0	-42.98	349.14	5.22	-37.76
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258537	1	44	-1.0	-42.99	349.20	5.23	-37.76
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258538	0	41	-1.0	-45.04	336.12	3.57	-41.47
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258538	1	41	-1.0	-45.00	336.06	3.54	-41.46
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258539	0	48	-1.0	-44.02	389.84	6.45	-37.57
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258539	1	48	-1.0	-43.98	389.88	6.44	-37.54
CCN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258540	0	44	-1.0	-52.34	384.78	4.98	-47.36
CCN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258540	1	44	-1.0	-52.31	384.84	4.99	-47.32
CCN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258541	0	41	-1.0	-56.89	362.42	4.17	-52.72
CCN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258541	1	41	-1.0	-56.83	362.48	4.19	-52.64
COC1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=CC(OC)=C1	REAL300020258542	0	54	-1.0	-43.15	429.04	7.52	-35.63
COC1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=CC(OC)=C1	REAL300020258542	1	54	-1.0	-43.19	429.10	7.53	-35.66
COC1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=CC(OC)=C1	REAL300020258543	0	51	-1.0	-45.32	408.06	6.52	-38.80
COC1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=CC(OC)=C1	REAL300020258543	1	51	-1.0	-45.37	408.12	6.54	-38.83
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020258544	0	49	-1.0	-51.73	377.34	4.02	-47.71
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020258544	1	49	-1.0	-51.75	377.39	4.04	-47.71
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020258545	0	46	-1.0	-55.33	355.87	3.23	-52.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020258545	1	46	-1.0	-55.35	355.93	3.25	-52.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=C(C#N)C=C2)C1	REAL300020258546	0	50	-1.0	-44.15	406.05	10.09	-34.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=C(C#N)C=C2)C1	REAL300020258546	1	50	-1.0	-44.19	406.11	10.10	-34.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=C(C#N)C=C2)C1	REAL300020258547	0	47	-1.0	-45.82	390.68	9.25	-36.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=C(C#N)C=C2)C1	REAL300020258547	1	47	-1.0	-45.81	390.74	9.27	-36.54
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	REAL300020258548	0	51	-1.0	-48.38	405.28	4.71	-43.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	REAL300020258548	1	51	-1.0	-48.36	405.34	4.72	-43.64
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	REAL300020258549	0	48	-1.0	-49.43	387.34	3.89	-45.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	REAL300020258549	1	48	-1.0	-49.43	387.40	3.92	-45.51
C=CCC1(C(=O)OCC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258550	0	52	-1.0	-45.69	408.22	9.33	-36.36
C=CCC1(C(=O)OCC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258550	1	52	-1.0	-45.65	408.27	9.34	-36.31
C=CCC1(C(=O)OCC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258551	0	49	-1.0	-50.88	386.72	8.54	-42.34
C=CCC1(C(=O)OCC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258551	1	49	-1.0	-50.89	386.78	8.57	-42.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020258552	0	51	-1.0	-41.03	385.10	8.41	-32.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020258552	1	51	-1.0	-41.07	385.16	8.42	-32.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020258553	0	48	-1.0	-42.88	364.62	7.65	-35.23
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020258553	1	48	-1.0	-42.90	364.67	7.67	-35.23
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020258554	0	55	-1.0	-42.99	417.11	10.48	-32.51
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020258554	1	55	-1.0	-42.98	417.15	10.47	-32.51
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258555	0	46	-1.0	-41.54	352.35	7.13	-34.41
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258555	1	46	-1.0	-41.54	352.41	7.14	-34.40
CCC1CC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258556	0	43	-1.0	-42.95	328.09	6.33	-36.62
CCC1CC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258556	1	43	-1.0	-42.95	328.15	6.35	-36.60
CCC1CC2(CCC2)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258557	0	50	-1.0	-42.52	381.06	9.17	-33.35
CCC1CC2(CCC2)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258557	1	50	-1.0	-42.54	381.06	9.17	-33.37
COC(=O)C1=CC2=C(CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)S1	REAL300020258558	0	43	-1.0	-46.56	372.18	6.33	-40.23
COC(=O)C1=CC2=C(CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)S1	REAL300020258558	1	43	-1.0	-46.54	372.24	6.35	-40.19
COC(=O)C1=CC2=C(CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)S1	REAL300020258559	0	40	-1.0	-47.75	350.68	5.56	-42.19
COC(=O)C1=CC2=C(CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)S1	REAL300020258559	1	40	-1.0	-47.81	350.74	5.58	-42.23
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC3=CC=CC=C3C2=O)C1	REAL300020258560	0	48	-1.0	-48.24	392.67	7.90	-40.34
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC3=CC=CC=C3C2=O)C1	REAL300020258560	1	48	-1.0	-48.17	392.61	7.89	-40.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC3=CC=CC=C3C2=O)C1	REAL300020258561	0	45	-1.0	-50.67	363.39	6.46	-44.21
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC3=CC=CC=C3C2=O)C1	REAL300020258561	1	45	-1.0	-50.68	363.33	6.43	-44.25
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020258562	0	41	-1.0	-46.74	350.28	4.49	-42.25
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020258562	1	41	-1.0	-46.75	350.34	4.51	-42.24
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020258563	0	38	-1.0	-48.67	325.66	3.21	-45.46
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020258563	1	38	-1.0	-48.68	325.72	3.24	-45.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020258564	0	39	-1.0	-41.93	318.54	6.29	-35.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020258564	1	39	-1.0	-41.87	318.59	6.30	-35.57
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(F)F)C1	REAL300020258565	0	43	-1.0	-47.91	350.73	8.41	-39.50
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(F)F)C1	REAL300020258565	1	43	-1.0	-47.91	350.76	8.40	-39.51
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=C(Br)S2)C1	REAL300020258566	0	37	-1.0	-42.18	340.55	7.02	-35.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=C(Br)S2)C1	REAL300020258566	1	37	-1.0	-42.21	340.61	7.04	-35.17
CN(C)C(=O)CCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C)=N1	REAL300020258567	0	46	-1.0	-46.90	385.22	7.44	-39.46
CN(C)C(=O)CCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C)=N1	REAL300020258567	1	46	-1.0	-46.87	385.16	7.43	-39.44
CN(C)C(=O)CCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2C)=N1	REAL300020258568	0	43	-1.0	-48.18	364.75	6.70	-41.48
CN(C)C(=O)CCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2C)=N1	REAL300020258568	1	43	-1.0	-48.20	364.69	6.68	-41.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020258569	0	40	-1.0	-45.81	340.65	5.88	-39.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020258569	1	40	-1.0	-45.80	340.70	5.89	-39.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020258570	0	37	-1.0	-49.79	319.15	5.08	-44.71
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020258570	1	37	-1.0	-49.78	319.21	5.11	-44.67
CC(C)C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020258571	0	49	-1.0	-42.96	385.51	8.35	-34.61
CC(C)C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020258571	1	49	-1.0	-42.97	385.57	8.36	-34.61
CC(C)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020258572	0	46	-1.0	-45.42	360.96	7.50	-37.92
CC(C)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020258572	1	46	-1.0	-45.37	360.91	7.48	-37.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020258573	0	52	-1.0	-40.15	407.35	9.86	-30.29
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020258573	1	52	-1.0	-40.13	407.41	9.87	-30.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020258574	0	49	-1.0	-42.61	385.85	9.06	-33.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020258574	1	49	-1.0	-42.61	385.91	9.09	-33.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020258575	0	47	-1.0	-39.39	386.12	8.64	-30.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020258575	1	47	-1.0	-39.39	386.18	8.66	-30.73
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020258576	0	44	-1.0	-41.24	363.56	7.82	-33.42
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020258576	1	44	-1.0	-41.24	363.62	7.85	-33.39
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020258577	0	43	-1.0	-51.04	347.10	2.77	-48.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020258577	1	43	-1.0	-51.10	347.16	2.78	-48.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020258578	0	40	-1.0	-52.56	328.08	1.90	-50.66
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020258578	1	40	-1.0	-52.56	328.13	1.93	-50.63
CN(CCCC1=CC=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258579	0	44	-1.0	-42.40	367.96	6.77	-35.63
CN(CCCC1=CC=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258579	1	44	-1.0	-42.46	368.01	6.79	-35.67
CN(CCCC1=CC=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258580	0	41	-1.0	-44.56	346.40	6.00	-38.56
CN(CCCC1=CC=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258580	1	41	-1.0	-44.55	346.45	6.03	-38.52
CN(CCCC1=CC=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258581	0	48	-1.0	-45.41	394.37	8.99	-36.42
CN(CCCC1=CC=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258581	1	48	-1.0	-45.44	394.41	8.97	-36.47
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020258582	0	47	-1.0	-43.45	388.98	7.55	-35.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020258582	1	47	-1.0	-43.47	389.04	7.56	-35.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020258583	0	44	-1.0	-46.22	368.53	6.79	-39.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020258583	1	44	-1.0	-46.24	368.59	6.81	-39.43
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1C(F)(F)F	REAL300020258584	0	39	-1.0	-41.22	325.34	6.05	-35.17
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1C(F)(F)F	REAL300020258584	1	39	-1.0	-41.22	325.40	6.06	-35.16
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1C(F)(F)F	REAL300020258585	0	36	-1.0	-43.01	307.71	5.36	-37.65
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1C(F)(F)F	REAL300020258585	1	36	-1.0	-43.05	307.77	5.39	-37.66
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H]1C(F)(F)F	REAL300020258586	0	43	-1.0	-44.22	359.14	8.06	-36.16
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H]1C(F)(F)F	REAL300020258586	1	43	-1.0	-44.27	359.20	8.07	-36.20
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258587	0	52	-1.0	-40.94	410.86	8.48	-32.46
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258587	1	52	-1.0	-40.95	410.91	8.50	-32.45
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258588	0	49	-1.0	-49.20	390.03	7.78	-41.42
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258588	1	49	-1.0	-49.20	390.09	7.80	-41.40
CNC(=O)C1=CN(CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)N=N1	REAL300020258589	0	49	-1.0	-48.66	399.76	3.16	-45.50
CNC(=O)C1=CN(CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)N=N1	REAL300020258589	1	49	-1.0	-48.64	399.70	3.14	-45.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020258590	0	40	-1.0	-49.16	329.90	2.10	-47.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020258590	1	40	-1.0	-49.13	329.96	2.12	-47.01
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020258591	0	44	-1.0	-50.49	351.39	3.68	-46.81
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020258591	1	44	-1.0	-50.47	351.46	3.66	-46.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020258592	0	44	-1.0	-49.10	351.86	4.87	-44.23
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020258592	1	44	-1.0	-49.14	351.92	4.89	-44.25
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020258593	0	41	-1.0	-52.21	324.29	4.14	-48.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020258593	1	41	-1.0	-52.23	324.35	4.16	-48.07
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020258594	0	48	-1.0	-51.16	384.78	6.99	-44.17
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020258594	1	48	-1.0	-51.16	384.82	6.98	-44.18
CCC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020258595	0	46	-1.0	-42.91	368.15	7.87	-35.04
CCC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020258595	1	46	-1.0	-42.90	368.20	7.88	-35.02
CCC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2=C1	REAL300020258596	0	43	-1.0	-43.80	347.43	8.31	-35.49
CCC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2=C1	REAL300020258596	1	43	-1.0	-43.77	347.37	8.29	-35.48
CCC1=CC=C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2=C1	REAL300020258597	0	50	-1.0	-43.25	400.01	11.18	-32.07
CCC1=CC=C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2=C1	REAL300020258597	1	50	-1.0	-43.31	399.79	11.16	-32.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020258598	0	47	-1.0	-49.23	369.81	6.48	-42.75
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020258598	1	47	-1.0	-49.27	369.87	6.49	-42.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020258599	0	44	-1.0	-52.32	348.32	5.69	-46.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020258599	1	44	-1.0	-52.32	348.38	5.71	-46.61
CC(CC(N)=O)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258600	0	43	-1.0	-47.70	350.29	3.92	-43.78
CC(CC(N)=O)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258600	1	43	-1.0	-47.70	350.33	3.91	-43.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020258601	0	40	-1.0	-42.38	353.12	7.29	-35.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020258601	1	40	-1.0	-42.40	353.18	7.31	-35.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020258602	0	37	-1.0	-43.95	331.62	6.50	-37.45
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020258602	1	37	-1.0	-44.00	331.67	6.52	-37.48
CC1=CC(C)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020258603	0	46	-1.0	-43.31	360.89	7.56	-35.75
CC1=CC(C)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020258603	1	46	-1.0	-43.31	360.95	7.58	-35.73
CC1=CC(C)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020258604	0	43	-1.0	-46.74	338.71	6.72	-40.02
CC1=CC(C)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020258604	1	43	-1.0	-46.74	338.65	6.70	-40.04
CC1=CC(C)=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CCC2=C1	REAL300020258605	0	50	-1.0	-45.99	392.89	9.61	-36.38
CC1=CC(C)=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CCC2=C1	REAL300020258605	1	50	-1.0	-45.99	392.94	9.59	-36.40
CC1=CSC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020258606	0	39	-1.0	-40.87	334.44	6.93	-33.94
CC1=CSC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020258606	1	39	-1.0	-40.90	334.50	6.94	-33.96
CC1=CSC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020258607	0	36	-1.0	-44.34	313.96	6.21	-38.13
CC1=CSC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020258607	1	36	-1.0	-44.32	313.91	6.18	-38.14
CC1=CSC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020258608	0	43	-1.0	-43.43	366.29	9.07	-34.36
CC1=CSC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020258608	1	43	-1.0	-43.44	366.31	9.06	-34.38
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258609	0	49	-1.0	-44.92	394.26	7.85	-37.07
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258609	1	49	-1.0	-44.96	394.31	7.87	-37.09
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258610	0	46	-1.0	-50.55	370.41	7.03	-43.52
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258610	1	46	-1.0	-50.55	370.46	7.06	-43.49
CCC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020258611	0	46	-1.0	-43.09	358.31	7.49	-35.60
CCC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020258611	1	46	-1.0	-43.06	358.36	7.51	-35.55
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020258612	0	43	-1.0	-45.97	336.86	6.72	-39.25
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020258612	1	43	-1.0	-45.92	336.80	6.70	-39.22
CCC1=CC=CC2=C1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)CC2	REAL300020258613	0	50	-1.0	-45.48	390.30	9.62	-35.86
CCC1=CC=CC2=C1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)CC2	REAL300020258613	1	50	-1.0	-45.48	390.33	9.61	-35.87
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020258614	0	44	-1.0	-42.36	335.83	5.37	-36.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020258614	1	44	-1.0	-42.33	335.89	5.39	-36.94
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020258615	0	41	-1.0	-44.46	315.58	4.63	-39.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020258615	1	41	-1.0	-44.46	315.63	4.66	-39.80
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020258616	0	48	-1.0	-44.65	367.86	7.45	-37.20
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020258616	1	48	-1.0	-44.62	367.90	7.45	-37.17
CN(CC1=CC2=CC=NC=C2C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258617	0	44	-1.0	-43.53	363.06	7.62	-35.91
CN(CC1=CC2=CC=NC=C2C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258617	1	44	-1.0	-43.51	363.00	7.61	-35.90
CN(CC1=CC2=CC=NC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258618	0	41	-1.0	-46.91	342.52	6.88	-40.03
CN(CC1=CC2=CC=NC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258618	1	41	-1.0	-46.90	342.46	6.86	-40.04
CN(CC1=CC2=CC=NC=C2C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258619	0	48	-1.0	-46.19	394.88	9.73	-36.46
CN(CC1=CC2=CC=NC=C2C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258619	1	48	-1.0	-46.21	394.85	9.74	-36.47
CC1=NN(C2=CC=CC=C2)C(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258620	0	52	-1.0	-43.55	421.91	8.75	-34.80
CC1=NN(C2=CC=CC=C2)C(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258620	1	52	-1.0	-43.57	421.97	8.77	-34.80
CC1=NN(C2=CC=CC=C2)C(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258621	0	49	-1.0	-46.39	393.83	8.25	-38.14
CC1=NN(C2=CC=CC=C2)C(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258621	1	49	-1.0	-46.39	393.88	8.27	-38.12
CN(CC1COC(C)(C)OC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258622	0	47	-1.0	-40.61	371.30	5.00	-35.61
CN(CC1COC(C)(C)OC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258622	1	47	-1.0	-40.64	371.36	5.02	-35.62
CN(CC1COC(C)(C)OC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258623	0	44	-1.0	-44.01	342.97	4.48	-39.53
CN(CC1COC(C)(C)OC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258623	1	44	-1.0	-44.03	343.03	4.51	-39.52
CN(CC1COC(C)(C)OC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258624	0	51	-1.0	-44.11	395.37	7.35	-36.76
CN(CC1COC(C)(C)OC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258624	1	51	-1.0	-44.08	395.39	7.34	-36.74
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020258625	0	43	-1.0	-48.01	356.35	8.29	-39.72
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020258625	1	43	-1.0	-48.06	356.30	8.28	-39.78
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020258626	0	40	-1.0	-49.96	335.84	7.54	-42.42
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020258626	1	40	-1.0	-49.95	335.79	7.52	-42.43
CN1C(NC2=CN(CC3CCC3)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020258627	0	47	-1.0	-50.52	388.12	10.37	-40.15
CN1C(NC2=CN(CC3CCC3)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020258627	1	47	-1.0	-50.52	388.08	10.37	-40.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020258628	0	52	-1.0	-44.72	403.27	7.67	-37.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020258628	1	52	-1.0	-44.75	403.33	7.68	-37.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020258628	1	53	0.0	-54.34	406.55	9.00	-45.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020258628	1	53	0.0	-54.16	406.66	10.09	-44.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020258629	0	49	-1.0	-45.69	382.83	6.91	-38.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020258629	1	49	-1.0	-45.72	382.89	6.94	-38.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020258629	1	50	0.0	-51.32	384.41	8.72	-42.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020258629	1	50	0.0	-52.47	384.13	9.25	-43.22
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1C2CCCC21	REAL300020258630	0	44	-1.0	-43.90	347.49	8.92	-34.98
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1C2CCCC21	REAL300020258630	1	44	-1.0	-43.83	347.51	8.91	-34.92
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020258631	0	43	-1.0	-41.42	355.70	6.65	-34.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020258631	1	43	-1.0	-41.47	355.76	6.67	-34.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020258632	0	40	-1.0	-42.56	338.88	6.15	-36.41
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020258632	1	40	-1.0	-42.57	338.94	6.18	-36.39
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020258633	0	47	-1.0	-44.66	389.20	9.34	-35.32
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020258633	1	47	-1.0	-44.67	389.24	9.34	-35.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020258634	0	43	-1.0	-42.37	355.00	7.28	-35.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020258634	1	43	-1.0	-42.39	355.05	7.30	-35.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020258635	0	40	-1.0	-43.15	333.52	5.65	-37.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020258635	1	40	-1.0	-43.16	333.58	5.68	-37.48
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020258636	0	47	-1.0	-44.39	387.17	9.39	-35.00
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020258636	1	47	-1.0	-44.38	387.21	9.38	-35.00
CCOC(=O)C1=CC2=C(CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)S1	REAL300020258637	0	46	-1.0	-46.39	394.04	7.26	-39.13
CCOC(=O)C1=CC2=C(CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)S1	REAL300020258637	1	46	-1.0	-46.37	394.10	7.27	-39.10
CCOC(=O)C1=CC2=C(CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)S1	REAL300020258638	0	43	-1.0	-47.68	372.54	6.48	-41.20
CCOC(=O)C1=CC2=C(CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)S1	REAL300020258638	1	43	-1.0	-47.71	372.60	6.51	-41.20
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C2	REAL300020258639	0	38	-1.0	-42.70	310.41	7.13	-35.57
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C2	REAL300020258639	1	38	-1.0	-42.69	310.47	7.12	-35.57
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1(C)C	REAL300020258640	0	43	-1.0	-41.72	342.88	4.90	-36.82
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1(C)C	REAL300020258640	1	43	-1.0	-41.71	342.94	4.92	-36.79
COC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1(C)C	REAL300020258641	0	47	-1.0	-43.81	372.23	6.91	-36.90
COC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1(C)C	REAL300020258641	1	47	-1.0	-43.82	372.29	6.91	-36.91
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258642	0	51	0.0	-70.11	387.46	6.65	-63.46
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258642	1	51	0.0	-70.16	387.52	6.67	-63.49
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258643	0	48	0.0	-63.75	380.61	6.28	-57.47
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258643	1	48	0.0	-63.77	380.67	6.31	-57.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC(C)(C)C)CC1	REAL300020258644	0	54	-1.0	-44.15	414.10	8.81	-35.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC(C)(C)C)CC1	REAL300020258644	1	54	-1.0	-44.14	414.15	8.83	-35.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC(C)(C)C)CC1	REAL300020258645	0	51	-1.0	-48.45	393.69	8.05	-40.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC(C)(C)C)CC1	REAL300020258645	1	51	-1.0	-48.48	393.75	8.08	-40.40
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C[C@H]12	REAL300020258646	0	44	-1.0	-44.10	343.05	5.45	-38.65
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C[C@H]12	REAL300020258646	1	44	-1.0	-44.11	343.11	5.46	-38.65
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)C[C@H]12	REAL300020258647	0	41	-1.0	-45.63	325.88	4.65	-40.98
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)C[C@H]12	REAL300020258647	1	41	-1.0	-45.63	325.94	4.67	-40.96
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C[C@H]12	REAL300020258648	0	48	-1.0	-45.75	374.33	7.63	-38.12
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C[C@H]12	REAL300020258648	1	48	-1.0	-45.72	374.38	7.61	-38.11
COC1=CC2=C(C=C1C)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020258649	0	47	-1.0	-42.30	375.59	7.68	-34.62
COC1=CC2=C(C=C1C)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020258649	1	47	-1.0	-42.28	375.65	7.70	-34.58
COC1=CC2=C(C=C1C)CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020258650	0	44	-1.0	-44.84	354.15	6.92	-37.92
COC1=CC2=C(C=C1C)CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020258650	1	44	-1.0	-44.80	354.09	6.90	-37.90
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020258651	0	49	-1.0	-42.14	370.05	3.29	-38.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020258651	1	49	-1.0	-42.18	370.11	3.30	-38.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)C1	REAL300020258651	1	50	0.0	-64.57	371.84	5.42	-59.15
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020258652	0	46	-1.0	-44.50	347.46	2.43	-42.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020258652	1	46	-1.0	-44.53	347.52	2.46	-42.07
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020258653	0	53	-1.0	-44.39	400.57	5.36	-39.03
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020258653	1	53	-1.0	-44.35	400.63	5.36	-38.99
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)([NH+]2CCOCC2)C1	REAL300020258653	1	54	0.0	-67.27	405.26	7.41	-59.86
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020258654	0	44	-1.0	-42.53	357.10	5.54	-36.99
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020258654	1	44	-1.0	-42.55	357.16	5.55	-37.00
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020258655	0	41	-1.0	-45.36	335.67	4.78	-40.58
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020258655	1	41	-1.0	-45.34	335.61	4.76	-40.58
CC1=CC2=C(C=C1O)CCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020258656	0	48	-1.0	-46.34	387.00	6.39	-39.95
CC1=CC2=C(C=C1O)CCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020258656	1	48	-1.0	-46.37	387.05	6.36	-40.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020258657	0	44	-1.0	-43.54	369.06	8.38	-35.16
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020258657	1	44	-1.0	-43.49	369.12	8.39	-35.10
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020258658	0	41	-1.0	-41.06	348.82	7.63	-33.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020258658	1	41	-1.0	-41.08	348.88	7.65	-33.43
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020258659	0	48	-1.0	-42.69	400.90	10.60	-32.09
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020258659	1	48	-1.0	-42.72	400.94	10.60	-32.12
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC[C@H]12	REAL300020258660	0	44	-1.0	-41.51	357.61	5.78	-35.73
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC[C@H]12	REAL300020258660	1	44	-1.0	-41.54	357.67	5.79	-35.75
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC[C@H]12	REAL300020258661	0	41	-1.0	-43.26	336.59	5.18	-38.08
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC[C@H]12	REAL300020258661	1	41	-1.0	-43.27	336.64	5.20	-38.07
COC[C@H]1[C@@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC[C@H]12	REAL300020258662	0	48	-1.0	-45.47	383.80	8.14	-37.33
COC[C@H]1[C@@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC[C@H]12	REAL300020258662	1	48	-1.0	-45.49	383.83	8.12	-37.37
COC(=O)C12CCC1(C(=O)OC)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020258663	0	49	-1.0	-47.47	400.28	7.41	-40.06
COC(=O)C12CCC1(C(=O)OC)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020258663	1	49	-1.0	-47.49	400.33	7.42	-40.07
COC(=O)C12CCC1(C(=O)OC)CN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020258664	0	46	-1.0	-48.60	381.40	6.69	-41.91
COC(=O)C12CCC1(C(=O)OC)CN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020258664	1	46	-1.0	-48.59	381.47	6.71	-41.88
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCO)CC1=CC=CC2=CN=CC=C21	REAL300020258665	0	51	-1.0	-47.34	406.03	5.34	-42.00
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCO)CC1=CC=CC2=CN=CC=C21	REAL300020258665	1	51	-1.0	-47.35	405.97	5.31	-42.04
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020258666	0	37	-1.0	-47.70	330.80	8.10	-39.60
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020258666	1	37	-1.0	-47.65	330.74	8.09	-39.56
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020258667	0	34	-1.0	-49.26	309.24	7.32	-41.94
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020258667	1	34	-1.0	-49.30	309.18	7.30	-42.00
CN1C(NC2=NN(C3CC3(F)F)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020258668	0	41	-1.0	-50.02	361.88	10.14	-39.88
CN1C(NC2=NN(C3CC3(F)F)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020258668	1	41	-1.0	-50.03	361.83	10.15	-39.88
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020258669	0	46	-1.0	-45.40	365.81	7.69	-37.71
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020258669	1	46	-1.0	-45.36	365.87	7.71	-37.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020258670	0	43	-1.0	-46.11	344.64	6.96	-39.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020258670	1	43	-1.0	-46.09	344.70	6.98	-39.11
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020258671	0	53	-1.0	-43.62	413.58	5.34	-38.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020258671	1	53	-1.0	-43.63	413.63	5.36	-38.27
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020258672	0	50	-1.0	-43.22	398.74	4.30	-38.92
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020258672	1	50	-1.0	-43.30	398.80	4.33	-38.97
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020258673	0	44	-1.0	-41.75	371.25	8.29	-33.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020258673	1	44	-1.0	-41.78	371.31	8.31	-33.47
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020258674	0	41	-1.0	-45.57	347.63	7.61	-37.96
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020258674	1	41	-1.0	-45.59	347.68	7.64	-37.95
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020258675	0	48	-1.0	-47.25	399.99	10.47	-36.78
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020258675	1	48	-1.0	-47.21	400.02	10.46	-36.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020258676	0	49	-1.0	-40.35	368.59	5.97	-34.38
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020258676	1	49	-1.0	-40.37	368.65	5.98	-34.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020258677	0	46	-1.0	-42.27	347.09	5.18	-37.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020258677	1	46	-1.0	-42.28	347.15	5.21	-37.07
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020258678	0	53	-1.0	-43.16	394.88	8.21	-34.95
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020258678	1	53	-1.0	-43.11	394.91	8.21	-34.90
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020258679	0	42	-1.0	-46.20	340.11	4.65	-41.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020258679	1	42	-1.0	-46.19	340.16	4.66	-41.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020258680	0	39	-1.0	-47.79	325.37	3.59	-44.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020258680	1	39	-1.0	-47.82	325.43	3.62	-44.20
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020258681	0	46	-1.0	-49.44	371.03	6.74	-42.70
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020258681	1	46	-1.0	-49.43	371.06	6.73	-42.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020258682	0	42	-1.0	-53.71	351.89	2.16	-51.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020258682	1	42	-1.0	-53.64	351.94	2.18	-51.46
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020258683	0	39	-1.0	-61.09	322.05	1.55	-59.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020258683	1	39	-1.0	-61.12	322.10	1.57	-59.55
CCN(C(=O)OC(C)(C)C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258684	0	56	-1.0	-49.02	433.50	7.48	-41.54
CCN(C(=O)OC(C)(C)C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258684	1	56	-1.0	-49.06	433.56	7.50	-41.56
CC1=C(CNC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)OC=C1	REAL300020258685	0	40	-1.0	-44.82	344.16	8.37	-36.45
CC1=C(CNC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)OC=C1	REAL300020258685	1	40	-1.0	-44.81	344.21	8.36	-36.45
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020258686	0	46	-1.0	-41.17	362.71	8.84	-32.33
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020258686	1	46	-1.0	-41.23	362.76	8.86	-32.37
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020258687	0	43	-1.0	-43.89	341.27	8.07	-35.82
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020258687	1	43	-1.0	-43.89	341.21	8.05	-35.84
CCC1=CC=CC2=C1CCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020258688	0	50	-1.0	-43.27	393.82	10.94	-32.33
CCC1=CC=CC2=C1CCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020258688	1	50	-1.0	-43.32	393.62	10.92	-32.40
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258689	0	52	-1.0	-42.87	416.02	7.84	-35.03
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258689	1	52	-1.0	-42.89	416.08	7.85	-35.04
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258690	0	49	-1.0	-45.88	395.46	7.09	-38.79
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258690	1	49	-1.0	-45.86	395.52	7.11	-38.75
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020258691	0	42	-1.0	-44.19	332.64	6.08	-38.11
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020258691	1	42	-1.0	-44.17	332.69	6.07	-38.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC3=CC=CC=C3C2=O)CC1	REAL300020258692	0	49	-1.0	-50.59	385.09	9.08	-41.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC3=CC=CC=C3C2=O)CC1	REAL300020258692	1	49	-1.0	-50.55	385.15	9.09	-41.46
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC3=CC=CC=C3C2=O)CC1	REAL300020258693	0	46	-1.0	-56.25	362.49	8.25	-48.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC3=CC=CC=C3C2=O)CC1	REAL300020258693	1	46	-1.0	-56.25	362.54	8.27	-47.98
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@@H]1F	REAL300020258694	0	40	-1.0	-43.68	327.61	7.39	-36.29
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1F	REAL300020258694	1	40	-1.0	-43.67	327.65	7.39	-36.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020258695	0	38	-1.0	-49.91	325.79	1.34	-48.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020258695	1	38	-1.0	-49.93	325.85	1.35	-48.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020258696	0	35	-1.0	-53.13	300.30	0.44	-52.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020258696	1	35	-1.0	-53.15	300.36	0.47	-52.68
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020258697	0	42	-1.0	-52.49	356.51	3.41	-49.08
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020258697	1	42	-1.0	-52.50	356.55	3.40	-49.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020258698	0	45	-1.0	-41.03	342.71	5.01	-36.02
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020258698	1	45	-1.0	-41.03	342.77	5.02	-36.01
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020258699	0	42	-1.0	-43.52	323.75	4.29	-39.23
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020258699	1	42	-1.0	-43.54	323.81	4.31	-39.23
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020258700	0	49	-1.0	-43.21	376.06	7.15	-36.06
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020258700	1	49	-1.0	-43.23	376.13	7.13	-36.10
CN(CC1CN(C(=O)OCC2=CC=CC=C2)C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258701	0	51	-1.0	-47.32	429.23	7.34	-39.98
CN(CC1CN(C(=O)OCC2=CC=CC=C2)C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258701	1	51	-1.0	-47.31	429.29	7.36	-39.95
CCCCCN(CC1=C(C)N(C)N=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258702	0	57	-1.0	-43.46	425.46	6.93	-36.53
CCCCCN(CC1=C(C)N(C)N=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258702	1	57	-1.0	-43.41	425.52	6.95	-36.46
CCCCCN(CC1=C(C)N(C)N=C1C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258703	0	54	-1.0	-47.45	407.89	5.96	-41.49
CCCCCN(CC1=C(C)N(C)N=C1C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258703	1	54	-1.0	-47.45	407.97	6.00	-41.45
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258704	0	42	-1.0	-44.40	348.06	7.96	-36.44
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258704	1	42	-1.0	-44.40	348.10	7.95	-36.45
CN(CC1=CC(F)=CC(C(F)(F)F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258705	0	42	-1.0	-40.45	367.55	8.21	-32.24
CN(CC1=CC(F)=CC(C(F)(F)F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258705	1	42	-1.0	-40.51	367.60	8.22	-32.29
CN(CC1=CC(F)=CC(C(F)(F)F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258706	0	39	-1.0	-43.31	346.99	7.46	-35.85
CN(CC1=CC(F)=CC(C(F)(F)F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258706	1	39	-1.0	-43.29	347.05	7.48	-35.81
CN(CC1=CC=C(C2=CSC=C2)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258707	0	46	-1.0	-41.63	387.63	9.55	-32.08
CN(CC1=CC=C(C2=CSC=C2)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258707	1	46	-1.0	-41.63	387.68	9.57	-32.06
CN(CC1=CC=C(C2=CSC=C2)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258708	0	43	-1.0	-44.91	367.07	8.80	-36.11
CN(CC1=CC=C(C2=CSC=C2)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258708	1	43	-1.0	-44.88	367.14	8.83	-36.05
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258709	0	42	-1.0	-44.49	345.28	6.97	-37.52
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258709	1	42	-1.0	-44.49	345.34	6.98	-37.51
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258710	0	39	-1.0	-49.30	324.79	6.23	-43.07
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258710	1	39	-1.0	-49.28	324.74	6.21	-43.07
CCN(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258711	0	46	-1.0	-45.33	377.65	9.13	-36.20
CCN(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258711	1	46	-1.0	-45.31	377.69	9.13	-36.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(Cl)=CC(Cl)=C1	REAL300020258712	0	43	-1.0	-41.68	380.98	9.72	-31.96
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(Cl)=CC(Cl)=C1	REAL300020258712	1	43	-1.0	-41.67	381.04	9.74	-31.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(Cl)=CC(Cl)=C1	REAL300020258713	0	40	-1.0	-42.27	360.48	8.97	-33.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(Cl)=CC(Cl)=C1	REAL300020258713	1	40	-1.0	-42.23	360.54	8.99	-33.24
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020258714	0	37	-1.0	-45.13	326.95	6.97	-38.16
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020258714	1	37	-1.0	-45.15	326.90	6.96	-38.19
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020258715	0	34	-1.0	-46.80	306.44	6.22	-40.58
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020258715	1	34	-1.0	-46.80	306.38	6.20	-40.60
CN1C(NC2=CN(C3CC3(F)F)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020258716	0	41	-1.0	-47.66	358.71	9.05	-38.61
CN1C(NC2=CN(C3CC3(F)F)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020258716	1	41	-1.0	-47.72	358.67	9.06	-38.66
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020258717	0	49	-1.0	-44.10	390.05	9.67	-34.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020258717	1	49	-1.0	-44.07	390.11	9.68	-34.39
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020258718	0	46	-1.0	-45.82	368.56	8.88	-36.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020258718	1	46	-1.0	-45.82	368.62	8.91	-36.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020258719	0	40	-2.0	-81.59	348.00	3.78	-77.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020258719	1	40	-2.0	-81.59	348.06	3.79	-77.80
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020258719	1	41	-1.0	-51.87	351.17	4.86	-47.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020258719	1	41	-1.0	-51.86	351.23	4.87	-46.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020258720	0	37	-2.0	-84.93	326.50	2.99	-81.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020258720	1	37	-2.0	-84.89	326.56	3.02	-81.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020258720	1	38	-1.0	-52.79	329.67	4.08	-48.71
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020258720	1	38	-1.0	-52.84	329.73	4.10	-48.74
CN(CCCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258721	0	41	-1.0	-49.23	354.91	2.27	-46.96
CN(CCCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258721	1	41	-1.0	-49.20	354.96	2.28	-46.92
CN(CCCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258722	0	38	-1.0	-51.66	334.43	1.55	-50.11
CN(CCCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258722	1	38	-1.0	-51.65	334.49	1.56	-50.09
CN(CCCS(C)(=O)=O)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258723	0	45	-1.0	-51.42	387.09	4.38	-47.04
CN(CCCS(C)(=O)=O)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258723	1	45	-1.0	-51.41	387.13	4.37	-47.04
CN(CCC(F)F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258724	0	39	-1.0	-43.91	336.11	7.10	-36.81
CN(CCC(F)F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258724	1	39	-1.0	-43.85	336.15	7.09	-36.76
COC(=O)C1=CC2=C(C=C1F)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020258725	0	46	-1.0	-48.59	384.61	7.08	-41.51
COC(=O)C1=CC2=C(C=C1F)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020258725	1	46	-1.0	-48.55	384.67	7.10	-41.45
COC(=O)C1=CC2=C(C=C1F)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020258726	0	43	-1.0	-49.87	363.12	6.30	-43.57
COC(=O)C1=CC2=C(C=C1F)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020258726	1	43	-1.0	-49.89	363.18	6.32	-43.57
CN(CC1CC(F)C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258727	0	43	-1.0	-43.26	349.91	8.26	-35.00
CN(CC1CC(F)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258727	1	43	-1.0	-43.21	349.95	8.25	-34.96
CC(C)NC(=O)CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2C)C=N1	REAL300020258728	0	46	-1.0	-59.07	387.99	5.61	-53.46
CC(C)NC(=O)CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2C)C=N1	REAL300020258728	1	46	-1.0	-59.06	387.93	5.59	-53.47
CC(C)NC(=O)CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2C)C=N1	REAL300020258729	0	43	-1.0	-60.62	367.48	4.86	-55.76
CC(C)NC(=O)CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2C)C=N1	REAL300020258729	1	43	-1.0	-60.63	367.42	4.84	-55.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020258730	0	40	-1.0	-51.21	334.35	2.68	-48.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020258730	1	40	-1.0	-51.17	334.41	2.69	-48.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020258731	0	37	-1.0	-51.96	311.72	1.79	-50.17
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020258731	1	37	-1.0	-51.97	311.78	1.81	-50.16
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020258732	0	44	-1.0	-53.82	365.62	4.69	-49.13
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020258732	1	44	-1.0	-53.92	365.65	4.69	-49.23
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258733	0	42	-1.0	-43.80	354.87	6.73	-37.07
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258733	1	42	-1.0	-43.77	354.89	6.72	-37.05
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1OC	REAL300020258734	0	46	-1.0	-44.52	372.59	5.96	-38.56
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1OC	REAL300020258734	1	46	-1.0	-44.52	372.65	5.98	-38.54
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1OC	REAL300020258735	0	43	-1.0	-44.29	349.98	5.14	-39.15
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1OC	REAL300020258735	1	43	-1.0	-44.30	350.04	5.16	-39.14
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1OC	REAL300020258736	0	50	-1.0	-47.04	403.40	8.04	-39.00
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1OC	REAL300020258736	1	50	-1.0	-47.02	403.43	8.03	-38.99
COCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258737	0	43	-1.0	-41.82	347.10	5.63	-36.19
COCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258737	1	43	-1.0	-41.80	347.15	5.64	-36.16
COCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258738	0	47	-1.0	-43.71	378.26	7.75	-35.96
COCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258738	1	47	-1.0	-43.73	378.29	7.72	-36.01
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)OCC1=CC=CC=C1	REAL300020258739	0	49	-1.0	-46.46	405.00	6.38	-40.08
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)OCC1=CC=CC=C1	REAL300020258739	1	49	-1.0	-46.45	405.07	6.40	-40.05
CN(CC1=CC=CC(OC(F)F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258740	0	43	-1.0	-43.00	361.33	6.71	-36.29
CN(CC1=CC=CC(OC(F)F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258740	1	43	-1.0	-43.01	361.39	6.72	-36.29
CN(CC1=CC=CC(OC(F)F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258741	0	40	-1.0	-45.79	340.77	5.96	-39.83
CN(CC1=CC=CC(OC(F)F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258741	1	40	-1.0	-45.81	340.83	5.99	-39.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020258742	0	43	-1.0	-41.06	365.20	8.48	-32.58
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020258742	1	43	-1.0	-41.04	365.26	8.49	-32.55
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020258743	0	40	-1.0	-44.82	339.08	7.83	-36.99
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020258743	1	40	-1.0	-44.81	339.03	7.80	-37.01
CC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C2CC2)C=C1	REAL300020258744	0	46	-1.0	-41.07	375.84	9.36	-31.71
CC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C2CC2)C=C1	REAL300020258744	1	46	-1.0	-41.08	375.90	9.38	-31.70
CC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C2CC2)C=C1	REAL300020258745	0	43	-1.0	-43.04	355.80	7.65	-35.39
CC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C2CC2)C=C1	REAL300020258745	1	43	-1.0	-43.03	355.74	7.62	-35.41
CC1=CC=C(CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C2CC2)C=C1	REAL300020258746	0	50	-1.0	-42.30	408.40	10.56	-31.74
CC1=CC=C(CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C2CC2)C=C1	REAL300020258746	1	50	-1.0	-42.27	408.42	10.55	-31.72
CN1N=CC=C1CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CC1	REAL300020258747	0	43	-1.0	-42.21	346.42	5.89	-36.32
CN1N=CC=C1CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CC1	REAL300020258747	1	43	-1.0	-42.21	346.48	5.90	-36.31
CN1N=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CC1	REAL300020258748	0	40	-1.0	-42.75	333.11	5.23	-37.52
CN1N=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CC1	REAL300020258748	1	40	-1.0	-42.71	333.05	5.21	-37.50
CN1N=CC=C1CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CC1	REAL300020258749	0	47	-1.0	-44.36	382.17	7.74	-36.62
CN1N=CC=C1CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CC1	REAL300020258749	1	47	-1.0	-44.39	382.20	7.73	-36.66
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)C1=NN=C(CC3=NN=N[N-]3)N1C)=C2	REAL300020258750	0	49	-1.0	-48.89	406.97	11.31	-37.58
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)C1=NN=C(CC3=N[N-]N=N3)N1C)=C2	REAL300020258750	1	49	-1.0	-48.89	406.92	11.28	-37.61
COC(=O)C1CC(C(=O)OC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258751	0	48	-1.0	-43.62	391.35	6.82	-36.80
COC(=O)C1CC(C(=O)OC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258751	1	48	-1.0	-43.64	391.41	6.83	-36.81
COC(=O)C1CC(C(=O)OC)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258752	0	45	-1.0	-48.24	374.75	5.93	-42.31
COC(=O)C1CC(C(=O)OC)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258752	1	45	-1.0	-48.19	374.80	5.96	-42.23
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020258753	0	36	-1.0	-44.64	293.83	4.78	-39.86
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020258753	1	36	-1.0	-44.62	293.89	4.79	-39.83
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020258754	0	40	-1.0	-48.53	332.54	6.65	-41.88
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020258754	1	40	-1.0	-48.50	332.56	6.64	-41.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020258755	0	49	-1.0	-40.01	361.54	8.25	-31.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020258755	1	49	-1.0	-39.95	361.59	8.26	-31.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020258756	0	46	-1.0	-43.33	333.59	7.45	-35.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020258756	1	46	-1.0	-43.33	333.65	7.47	-35.86
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020258757	0	53	-1.0	-41.69	393.71	10.16	-31.53
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020258757	1	53	-1.0	-41.67	393.73	10.15	-31.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020258758	0	46	-1.0	-41.76	359.25	7.86	-33.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020258758	1	46	-1.0	-41.76	359.31	7.88	-33.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020258759	0	43	-1.0	-44.90	337.89	7.10	-37.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020258759	1	43	-1.0	-44.91	337.84	7.08	-37.83
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020258760	0	50	-1.0	-44.01	390.47	9.96	-34.05
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020258760	1	50	-1.0	-43.94	390.51	9.94	-34.00
COC(=O)C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCN2C=C1	REAL300020258761	0	44	-1.0	-50.00	363.37	5.81	-44.19
COC(=O)C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCN2C=C1	REAL300020258761	1	44	-1.0	-50.01	363.43	5.83	-44.18
COC(=O)C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCN2C=C1	REAL300020258762	0	41	-1.0	-53.50	341.93	5.05	-48.45
COC(=O)C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCN2C=C1	REAL300020258762	1	41	-1.0	-53.56	341.87	5.03	-48.53
CCN(C(=O)OC(C)(C)C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258763	0	56	-1.0	-43.89	432.91	7.69	-36.20
CCN(C(=O)OC(C)(C)C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258763	1	56	-1.0	-43.86	432.97	7.72	-36.14
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC2=C(Cl)C=CC=C21	REAL300020258764	0	43	-1.0	-42.40	355.11	7.24	-35.16
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC2=C(Cl)C=CC=C21	REAL300020258764	1	43	-1.0	-42.40	355.17	7.25	-35.15
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC2=C(Cl)C=CC=C21	REAL300020258765	0	40	-1.0	-45.68	335.27	6.51	-39.17
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC2=C(Cl)C=CC=C21	REAL300020258765	1	40	-1.0	-45.68	335.21	6.48	-39.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020258766	0	47	-1.0	-45.78	373.56	7.60	-38.18
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020258766	1	47	-1.0	-45.78	373.61	7.62	-38.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020258767	0	44	-1.0	-49.88	351.04	6.82	-43.06
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020258767	1	44	-1.0	-49.86	350.98	6.80	-43.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2=C(C1)NC1=CC=CC=C12	REAL300020258768	0	45	-1.0	-42.22	375.69	8.21	-34.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2=C(C1)NC1=CC=CC=C12	REAL300020258768	1	45	-1.0	-42.22	375.75	8.22	-34.00
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2=C(C1)NC1=CC=CC=C12	REAL300020258769	0	42	-1.0	-44.53	354.26	7.44	-37.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2=C(C1)NC1=CC=CC=C12	REAL300020258769	1	42	-1.0	-44.54	354.20	7.41	-37.13
COC(=O)COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258770	0	49	-1.0	-45.67	397.16	6.88	-38.79
COC(=O)COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258770	1	49	-1.0	-45.66	397.22	6.89	-38.77
COC(=O)COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258771	0	46	-1.0	-47.10	383.32	5.86	-41.24
COC(=O)COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258771	1	46	-1.0	-47.07	383.38	5.88	-41.19
COC(=O)C1(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CCOCC1	REAL300020258772	0	53	-1.0	-48.17	389.86	6.23	-41.94
COC(=O)C1(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CCOCC1	REAL300020258772	1	53	-1.0	-48.18	389.92	6.26	-41.92
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020258773	0	37	-1.0	-40.82	324.30	5.12	-35.70
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020258773	1	37	-1.0	-40.79	324.36	5.13	-35.66
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020258774	0	34	-1.0	-42.50	302.86	4.36	-38.14
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020258774	1	34	-1.0	-42.47	302.81	4.33	-38.14
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020258775	0	41	-1.0	-43.68	355.40	7.22	-36.46
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020258775	1	41	-1.0	-43.62	355.44	7.20	-36.42
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258776	0	60	-1.0	-40.17	465.65	11.71	-28.46
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258776	1	60	-1.0	-40.17	465.71	11.72	-28.45
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258777	0	57	-1.0	-43.36	442.39	10.95	-32.41
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258777	1	57	-1.0	-43.38	442.45	10.97	-32.41
COC(=O)C1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258778	0	45	-1.0	-42.45	369.05	6.46	-35.99
COC(=O)C1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258778	1	45	-1.0	-42.46	369.10	6.48	-35.98
COC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258779	0	42	-1.0	-44.24	348.06	5.90	-38.34
COC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258779	1	42	-1.0	-44.28	348.12	5.93	-38.35
COC(=O)C1CC(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020258780	0	49	-1.0	-45.31	394.62	8.82	-36.49
COC(=O)C1CC(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020258780	1	49	-1.0	-45.29	394.67	8.80	-36.49
COC(=O)[C@@H]1C[C@H]1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258781	0	49	-1.0	-43.44	401.03	8.05	-35.39
COC(=O)[C@@H]1C[C@H]1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258781	1	49	-1.0	-43.45	401.09	8.06	-35.39
COC(=O)[C@@H]1C[C@H]1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020258782	0	46	-1.0	-45.50	379.52	7.26	-38.24
COC(=O)[C@@H]1C[C@H]1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020258782	1	46	-1.0	-45.50	379.58	7.29	-38.21
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020258783	0	46	-1.0	-43.12	355.67	7.32	-35.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020258783	1	46	-1.0	-43.12	355.73	7.34	-35.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020258784	0	43	-1.0	-45.85	334.71	6.63	-39.22
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020258784	1	43	-1.0	-45.90	334.77	6.65	-39.25
COC1=CC=C2C(=C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2C	REAL300020258785	0	44	-1.0	-49.10	354.12	9.03	-40.07
COC1=CC=C2C(=C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2C	REAL300020258785	1	44	-1.0	-49.10	354.17	9.04	-40.06
COC1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2C	REAL300020258786	0	41	-1.0	-51.77	333.52	8.29	-43.48
COC1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2C	REAL300020258786	1	41	-1.0	-51.75	333.46	8.26	-43.49
COC1=CC=C2C(=C1)N(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)CC2C	REAL300020258787	0	48	-1.0	-51.19	386.10	11.13	-40.06
COC1=CC=C2C(=C1)N(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)CC2C	REAL300020258787	1	48	-1.0	-51.18	386.15	11.12	-40.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020258788	0	49	-1.0	-40.56	355.61	7.66	-32.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020258788	1	49	-1.0	-40.54	355.67	7.68	-32.86
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020258789	0	46	-1.0	-41.96	344.08	7.18	-34.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020258789	1	46	-1.0	-41.95	344.14	7.20	-34.75
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCCC2C1	REAL300020258790	0	53	-1.0	-41.66	396.41	10.01	-31.65
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCCC2C1	REAL300020258790	1	53	-1.0	-41.68	396.45	10.02	-31.66
CN(CC1CC(F)(F)C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258791	0	39	-1.0	-42.03	322.96	6.37	-35.66
CN(CC1CC(F)(F)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258791	1	39	-1.0	-42.03	323.02	6.39	-35.64
CN(CC1CC(F)(F)C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258792	0	43	-1.0	-43.87	356.39	8.34	-35.53
CN(CC1CC(F)(F)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258792	1	43	-1.0	-43.84	356.41	8.33	-35.51
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020258793	0	50	-1.0	-42.64	381.83	6.93	-35.71
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020258793	1	50	-1.0	-42.61	381.89	6.95	-35.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020258794	0	47	-1.0	-44.14	360.34	6.15	-37.99
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020258794	1	47	-1.0	-44.16	360.39	6.17	-37.99
COC(=O)C1(C2CCOCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258795	0	53	-1.0	-44.34	404.44	6.14	-38.20
COC(=O)C1(C2CCOCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258795	1	53	-1.0	-44.33	404.50	6.15	-38.18
COC(=O)C1(C2CCOCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258796	0	50	-1.0	-44.26	381.80	5.31	-38.95
COC(=O)C1(C2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258796	1	50	-1.0	-44.29	381.86	5.34	-38.95
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020258797	0	41	-1.0	-44.38	328.12	2.85	-41.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020258797	1	41	-1.0	-44.38	328.18	2.86	-41.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020258798	0	38	-1.0	-46.21	309.31	2.15	-44.06
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020258798	1	38	-1.0	-46.24	309.37	2.17	-44.07
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020258799	0	45	-1.0	-46.97	359.44	4.91	-42.06
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020258799	1	45	-1.0	-46.98	359.50	4.89	-42.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020258800	0	37	-1.0	-45.56	324.34	5.59	-39.97
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020258800	1	37	-1.0	-45.53	324.40	5.60	-39.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020258801	0	34	-1.0	-47.56	302.33	4.99	-42.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020258801	1	34	-1.0	-47.57	302.38	5.02	-42.55
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020258802	0	41	-1.0	-49.41	351.88	7.85	-41.56
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020258802	1	41	-1.0	-49.43	351.90	7.84	-41.59
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020258803	0	44	-1.0	-50.92	340.03	3.83	-47.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020258803	1	44	-1.0	-50.89	340.08	3.85	-47.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020258804	0	41	-1.0	-48.36	323.38	2.95	-45.41
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020258804	1	41	-1.0	-48.34	323.44	2.98	-45.36
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020258805	0	48	-1.0	-48.20	377.52	5.70	-42.50
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020258805	1	48	-1.0	-48.17	377.58	5.67	-42.50
C=CCC1(C(=O)OCC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020258806	0	50	-1.0	-46.32	400.66	6.68	-39.64
C=CCC1(C(=O)OCC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020258806	1	50	-1.0	-46.29	400.72	6.70	-39.59
C=CCC1(C(=O)OCC)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020258807	0	47	-1.0	-48.77	379.16	5.91	-42.86
C=CCC1(C(=O)OCC)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020258807	1	47	-1.0	-48.78	379.22	5.93	-42.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020258808	0	45	-1.0	-45.05	382.68	6.87	-38.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020258808	1	45	-1.0	-45.07	382.62	6.86	-38.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020258809	0	42	-1.0	-46.22	361.73	5.87	-40.35
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020258809	1	42	-1.0	-46.15	361.67	5.85	-40.30
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1C1=CC=C(OC)C=C1	REAL300020258810	0	50	-1.0	-44.09	408.92	7.08	-37.01
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1C1=CC=C(OC)C=C1	REAL300020258810	1	50	-1.0	-44.09	408.98	7.11	-36.98
COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@@H]1C	REAL300020258811	0	44	-1.0	-42.57	347.12	4.05	-38.52
COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020258811	1	44	-1.0	-42.58	347.18	4.06	-38.52
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@@H]1C	REAL300020258812	0	41	-1.0	-45.62	333.78	3.72	-41.90
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1C	REAL300020258812	1	41	-1.0	-45.62	333.84	3.74	-41.88
COC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@@H]1C	REAL300020258813	0	48	-1.0	-45.04	377.82	6.13	-38.91
COC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1C	REAL300020258813	1	48	-1.0	-45.01	377.86	6.12	-38.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020258814	0	38	-1.0	-45.28	312.48	4.42	-40.86
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020258814	1	38	-1.0	-45.29	312.54	4.44	-40.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020258815	0	35	-1.0	-44.85	289.94	3.60	-41.25
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020258815	1	35	-1.0	-44.85	290.00	3.63	-41.22
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020258816	0	42	-1.0	-48.75	343.40	6.52	-42.23
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020258816	1	42	-1.0	-48.71	343.43	6.51	-42.20
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020258817	0	45	-1.0	-47.04	382.83	7.17	-39.87
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020258817	1	45	-1.0	-46.99	382.77	7.15	-39.84
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020258818	0	42	-1.0	-50.22	362.89	6.38	-43.84
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020258818	1	42	-1.0	-50.20	362.83	6.36	-43.84
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(=O)OC(C)(C)C)CC1	REAL300020258819	0	55	-1.0	-44.45	436.91	8.12	-36.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(=O)OC(C)(C)C)CC1	REAL300020258819	1	55	-1.0	-44.47	436.96	8.13	-36.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(=O)OC(C)(C)C)CC1	REAL300020258820	0	52	-1.0	-45.55	416.46	7.36	-38.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(=O)OC(C)(C)C)CC1	REAL300020258820	1	52	-1.0	-45.58	416.51	7.38	-38.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020258821	0	43	-1.0	-39.94	354.50	7.99	-31.95
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020258821	1	43	-1.0	-39.99	354.55	8.00	-31.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020258822	0	40	-1.0	-41.90	326.74	7.28	-34.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020258822	1	40	-1.0	-41.92	326.79	7.30	-34.62
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020258823	0	47	-1.0	-48.27	382.69	10.17	-38.10
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020258823	1	47	-1.0	-48.18	382.73	10.16	-38.02
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020258824	0	45	-2.0	-80.47	383.11	3.00	-77.47
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)[C@H](C)[C@@H]1NC(=O)C(F)(F)F	REAL300020258824	1	46	-1.0	-41.82	379.25	4.24	-37.58
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020258824	1	45	-2.0	-80.51	383.17	3.03	-77.48
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)[C@H](C)[C@@H]1NC(=O)C(F)(F)F	REAL300020258824	1	46	-1.0	-41.88	379.31	4.27	-37.61
CCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020258825	0	45	-1.0	-40.68	347.61	7.53	-33.15
CCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020258825	1	45	-1.0	-40.66	347.67	7.55	-33.11
CCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020258826	0	49	-1.0	-41.58	386.33	9.42	-32.16
CCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020258826	1	49	-1.0	-41.61	386.40	9.40	-32.21
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(F)(F)C1	REAL300020258827	0	42	-1.0	-43.65	354.62	6.31	-37.34
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(F)(F)C1	REAL300020258827	1	42	-1.0	-43.69	354.68	6.32	-37.37
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(F)(F)C1	REAL300020258828	0	39	-1.0	-46.24	333.13	5.52	-40.72
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(F)(F)C1	REAL300020258828	1	39	-1.0	-46.26	333.18	5.55	-40.71
COC(=O)C1(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)CC(F)(F)C1	REAL300020258829	0	49	-1.0	-49.24	385.88	7.56	-41.68
COC(=O)C1(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)CC(F)(F)C1	REAL300020258829	1	49	-1.0	-49.24	385.93	7.58	-41.66
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020258830	0	37	-1.0	-45.11	315.31	6.07	-39.04
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020258830	1	37	-1.0	-45.11	315.35	6.05	-39.06
COC(=O)C1=CN(CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCO2)N=N1	REAL300020258831	0	46	-1.0	-50.88	397.83	3.19	-47.69
COC(=O)C1=CN(CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCO2)N=N1	REAL300020258831	1	46	-1.0	-50.88	397.77	3.17	-47.71
COC(=O)C1=NN(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020258832	0	49	-1.0	-47.50	409.04	6.62	-40.88
COC(=O)C1=NN(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020258832	1	49	-1.0	-47.53	408.98	6.61	-40.92
COC(=O)C1=NN(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020258833	0	46	-1.0	-47.80	388.61	5.87	-41.93
COC(=O)C1=NN(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020258833	1	46	-1.0	-47.79	388.55	5.85	-41.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C(F)(F)F)C1	REAL300020258834	0	46	-1.0	-41.99	380.85	8.79	-33.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C(F)(F)F)C1	REAL300020258834	1	46	-1.0	-41.99	380.90	8.81	-33.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C(F)(F)F)C1	REAL300020258835	0	43	-1.0	-45.79	352.20	7.48	-38.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C(F)(F)F)C1	REAL300020258835	1	43	-1.0	-45.77	352.26	7.50	-38.27
CC1CC(C(N)=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258836	0	43	-1.0	-44.43	350.13	2.48	-41.95
CC1CC(C(N)=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258836	1	43	-1.0	-44.44	350.19	2.49	-41.95
CC1CC(C(N)=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258837	0	40	-1.0	-47.62	323.12	1.97	-45.65
CC1CC(C(N)=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258837	1	40	-1.0	-47.67	323.18	1.99	-45.68
CC1CC(C(N)=O)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020258838	0	47	-1.0	-48.34	377.31	4.77	-43.57
CC1CC(C(N)=O)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020258838	1	47	-1.0	-48.34	377.35	4.76	-43.58
CCOC1=CC=CC=C1OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258839	0	51	-1.0	-45.28	409.28	7.91	-37.37
CCOC1=CC=CC=C1OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258839	1	51	-1.0	-45.31	409.33	7.93	-37.38
CCOC1=CC=CC=C1OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258840	0	48	-1.0	-49.58	388.89	7.15	-42.43
CCOC1=CC=CC=C1OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258840	1	48	-1.0	-49.55	388.95	7.18	-42.37
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020258841	0	44	-1.0	-43.97	338.92	8.70	-35.27
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020258841	1	44	-1.0	-43.94	338.96	8.68	-35.26
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020258842	0	43	-1.0	-43.82	364.99	9.68	-34.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020258842	1	43	-1.0	-43.86	365.05	9.70	-34.16
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020258843	0	40	-1.0	-47.34	337.91	7.91	-39.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020258843	1	40	-1.0	-47.31	337.97	7.94	-39.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)(C(F)(F)F)C1	REAL300020258844	0	37	-1.0	-43.65	322.30	5.01	-38.64
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)(C(F)(F)F)C1	REAL300020258844	1	37	-1.0	-43.70	322.35	5.04	-38.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@@]2(C(F)(F)F)C1	REAL300020258845	0	40	-1.0	-52.50	344.33	2.57	-49.93
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@@]2(C(F)(F)F)C1	REAL300020258845	1	40	-1.0	-52.54	344.39	2.60	-49.94
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020258846	0	54	-1.0	-44.68	421.21	6.20	-38.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020258846	1	54	-1.0	-44.68	421.27	6.22	-38.46
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020258847	0	44	-1.0	-43.64	337.92	7.71	-35.93
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020258847	1	44	-1.0	-43.59	337.95	7.69	-35.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020258848	0	43	-1.0	-42.87	355.20	5.60	-37.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020258848	1	43	-1.0	-42.88	355.14	5.58	-37.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020258849	0	40	-1.0	-47.20	327.83	4.84	-42.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020258849	1	40	-1.0	-47.22	327.77	4.82	-42.40
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020258850	0	47	-1.0	-47.08	380.18	7.70	-39.38
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020258850	1	47	-1.0	-46.99	380.22	7.69	-39.30
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@@H]1F	REAL300020258851	0	43	-1.0	-42.75	346.20	8.20	-34.55
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1F	REAL300020258851	1	43	-1.0	-42.73	346.24	8.18	-34.55
COC1(OC)CC(C(N)=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258852	0	48	-1.0	-43.78	374.82	0.56	-43.22
COC1(OC)CC(C(N)=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258852	1	48	-1.0	-43.77	374.88	0.57	-43.20
COC1(OC)CC(C(N)=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258853	0	45	-1.0	-46.16	353.32	-0.23	-46.39
COC1(OC)CC(C(N)=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258853	1	45	-1.0	-46.17	353.38	-0.20	-46.37
CC1=NN=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)O1	REAL300020258854	0	44	-1.0	-45.61	359.74	2.01	-43.60
CC1=NN=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)O1	REAL300020258854	1	44	-1.0	-45.61	359.79	2.03	-43.58
CC1=NN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)O1	REAL300020258855	0	41	-1.0	-49.15	339.34	1.25	-47.90
CC1=NN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)O1	REAL300020258855	1	41	-1.0	-49.17	339.40	1.28	-47.89
CC1=NN=C(C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2)O1	REAL300020258856	0	48	-1.0	-48.52	391.69	4.11	-44.41
CC1=NN=C(C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2)O1	REAL300020258856	1	48	-1.0	-48.55	391.74	4.11	-44.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020258857	0	44	-1.0	-48.44	346.69	4.11	-44.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020258857	1	44	-1.0	-48.45	346.74	4.13	-44.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020258858	0	41	-1.0	-50.50	325.20	3.33	-47.17
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020258858	1	41	-1.0	-50.48	325.26	3.35	-47.13
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020258859	0	48	-1.0	-50.86	379.47	6.09	-44.77
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020258859	1	48	-1.0	-50.85	379.50	6.09	-44.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020258860	0	42	-1.0	-42.71	344.50	6.97	-35.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020258860	1	42	-1.0	-42.73	344.56	6.99	-35.74
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020258861	0	39	-1.0	-46.73	316.26	6.23	-40.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020258861	1	39	-1.0	-46.75	316.31	6.25	-40.50
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020258862	0	46	-1.0	-43.69	375.39	8.88	-34.81
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020258862	1	46	-1.0	-43.70	375.45	8.86	-34.84
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C(CF)C1=CC=C(Br)C=C1	REAL300020258863	0	39	-1.0	-43.02	349.90	7.42	-35.60
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C(CF)C1=CC=C(Br)C=C1	REAL300020258863	1	39	-1.0	-43.06	349.96	7.44	-35.62
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020258864	0	47	-1.0	-42.44	377.08	6.52	-35.92
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020258864	1	47	-1.0	-42.42	377.14	6.53	-35.89
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020258865	0	44	-1.0	-46.73	353.60	4.64	-42.09
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020258865	1	44	-1.0	-46.73	353.66	4.67	-42.06
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H](C2=CC=C(F)C=C2)O1	REAL300020258866	0	47	-1.0	-41.55	393.15	7.50	-34.05
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H](C2=CC=C(F)C=C2)O1	REAL300020258866	1	47	-1.0	-41.57	393.21	7.52	-34.05
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H](C2=CC=C(F)C=C2)O1	REAL300020258867	0	44	-1.0	-43.32	361.21	6.39	-36.93
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H](C2=CC=C(F)C=C2)O1	REAL300020258867	1	44	-1.0	-43.28	361.26	6.42	-36.86
CN(CC1=CN=C2C=CC(Cl)=CN12)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258868	0	42	-1.0	-41.64	368.58	7.71	-33.93
CN(CC1=CN=C2C=CC(Cl)=CN12)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258868	1	42	-1.0	-41.64	368.53	7.69	-33.95
CN(CC1=CN=C2C=CC(Cl)=CN12)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258869	0	39	-1.0	-43.31	348.12	6.94	-36.37
CN(CC1=CN=C2C=CC(Cl)=CN12)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258869	1	39	-1.0	-43.29	348.03	6.91	-36.38
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@@H]1O	REAL300020258870	0	44	-1.0	-43.63	348.55	5.10	-38.53
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@@H]1O	REAL300020258870	1	44	-1.0	-43.58	348.59	5.08	-38.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020258871	0	47	-1.0	-40.91	356.21	4.25	-36.66
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020258871	1	47	-1.0	-40.91	356.27	4.26	-36.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020258872	0	44	-1.0	-43.21	334.71	3.46	-39.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020258872	1	44	-1.0	-43.23	334.77	3.49	-39.74
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020258873	0	51	-1.0	-44.35	390.29	6.69	-37.66
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020258873	1	51	-1.0	-44.33	390.32	6.69	-37.64
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020258874	0	45	-1.0	-40.62	374.79	6.29	-34.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020258874	1	45	-1.0	-40.62	374.84	6.30	-34.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020258875	0	42	-1.0	-43.94	347.89	5.75	-38.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020258875	1	42	-1.0	-43.92	347.95	5.78	-38.14
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC2=CC=CC=C21	REAL300020258876	0	52	-1.0	-42.37	405.30	9.78	-32.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC2=CC=CC=C21	REAL300020258876	1	52	-1.0	-42.35	405.36	9.80	-32.55
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC2=CC=CC=C21	REAL300020258877	0	49	-1.0	-46.76	383.79	8.99	-37.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC2=CC=CC=C21	REAL300020258877	1	49	-1.0	-46.76	383.85	9.01	-37.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020258878	0	46	-1.0	-42.19	373.81	9.63	-32.56
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020258878	1	46	-1.0	-42.18	373.86	9.64	-32.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020258879	0	43	-1.0	-47.63	343.81	7.69	-39.94
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020258879	1	43	-1.0	-47.62	343.76	7.66	-39.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020258880	0	47	-1.0	-40.67	370.71	8.84	-31.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020258880	1	47	-1.0	-40.66	370.77	8.85	-31.81
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020258881	0	44	-1.0	-43.39	350.67	8.13	-35.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020258881	1	44	-1.0	-43.32	350.62	8.11	-35.21
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020258882	0	51	-1.0	-42.55	402.87	11.08	-31.47
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020258882	1	51	-1.0	-42.53	402.91	11.07	-31.46
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCC2(CC1)OCCO2	REAL300020258883	0	48	-1.0	-42.42	374.95	4.54	-37.88
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCC2(CC1)OCCO2	REAL300020258883	1	48	-1.0	-42.41	375.00	4.55	-37.86
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCC2(CC1)OCCO2	REAL300020258884	0	45	-1.0	-43.99	354.74	3.80	-40.19
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCC2(CC1)OCCO2	REAL300020258884	1	45	-1.0	-44.00	354.80	3.83	-40.17
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCC2(CC1)OCCO2	REAL300020258885	0	52	-1.0	-44.89	403.07	7.21	-37.68
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCC2(CC1)OCCO2	REAL300020258885	1	52	-1.0	-44.82	403.15	7.20	-37.62
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C(C)C1CCC1	REAL300020258886	0	45	-1.0	-40.57	340.39	7.18	-33.39
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C(C)C1CCC1	REAL300020258886	1	45	-1.0	-40.61	340.45	7.20	-33.41
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C(C)C1CCC1	REAL300020258887	0	49	-1.0	-42.56	373.44	9.23	-33.33
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C(C)C1CCC1	REAL300020258887	1	49	-1.0	-42.52	373.41	9.22	-33.30
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020258888	0	47	-1.0	-42.44	377.08	6.52	-35.92
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020258888	1	47	-1.0	-42.42	377.14	6.53	-35.89
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020258889	0	44	-1.0	-46.73	353.60	4.64	-42.09
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020258889	1	44	-1.0	-46.73	353.66	4.67	-42.06
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020258890	0	34	-1.0	-39.25	310.87	6.35	-32.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020258890	1	34	-1.0	-39.26	310.93	6.37	-32.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020258891	0	31	-1.0	-41.01	289.38	5.57	-35.44
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020258891	1	31	-1.0	-41.06	289.44	5.59	-35.47
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020258892	0	38	-1.0	-41.97	341.99	8.44	-33.53
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020258892	1	38	-1.0	-41.93	341.79	8.44	-33.49
COC1=CC=CC(COC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=C1	REAL300020258893	0	51	-1.0	-45.36	418.50	6.85	-38.51
COC1=CC=CC(COC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=C1	REAL300020258893	1	51	-1.0	-45.33	418.56	6.86	-38.47
COC1=CC=CC(COC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=C1	REAL300020258894	0	48	-1.0	-47.76	398.05	6.09	-41.67
COC1=CC=CC(COC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=C1	REAL300020258894	1	48	-1.0	-47.77	398.11	6.11	-41.66
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258895	0	42	-1.0	-42.56	348.74	7.91	-34.65
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258895	1	42	-1.0	-42.58	348.80	7.93	-34.65
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258896	0	39	-1.0	-42.99	328.62	7.25	-35.74
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258896	1	39	-1.0	-42.98	328.56	7.22	-35.76
CCN(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258897	0	46	-1.0	-44.53	381.72	10.06	-34.47
CCN(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258897	1	46	-1.0	-44.52	381.75	10.05	-34.47
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020258898	0	44	-1.0	-46.33	356.35	4.80	-41.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020258898	1	44	-1.0	-46.30	356.41	4.82	-41.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020258899	0	41	-1.0	-49.60	334.65	3.91	-45.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020258899	1	41	-1.0	-49.61	334.71	3.93	-45.68
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC12CC2	REAL300020258900	0	41	-1.0	-42.99	336.10	7.16	-35.83
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC12CC2	REAL300020258900	1	41	-1.0	-42.92	336.16	7.16	-35.76
CC1=CC=C(C2(C)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020258901	0	52	-1.0	-40.19	402.72	9.52	-30.67
CC1=CC=C(C2(C)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020258901	1	52	-1.0	-40.18	402.78	9.53	-30.65
CC1=CC=C(C2(C)CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020258902	0	49	-1.0	-42.23	380.64	8.93	-33.30
CC1=CC=C(C2(C)CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020258902	1	49	-1.0	-42.23	380.70	8.96	-33.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020258903	0	41	-1.0	-43.23	331.29	6.56	-36.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020258903	1	41	-1.0	-43.20	331.34	6.57	-36.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020258904	0	38	-1.0	-45.08	307.83	5.58	-39.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020258904	1	38	-1.0	-45.12	307.88	5.60	-39.52
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCSC2)C1	REAL300020258905	0	45	-1.0	-45.66	363.10	8.67	-36.99
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCSC2)C1	REAL300020258905	1	45	-1.0	-45.65	363.17	8.65	-37.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020258906	0	41	-1.0	-47.30	331.38	2.85	-44.45
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020258906	1	41	-1.0	-47.28	331.44	2.87	-44.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020258907	0	38	-1.0	-48.92	309.88	2.07	-46.85
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020258907	1	38	-1.0	-48.96	309.94	2.09	-46.87
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020258908	0	45	-1.0	-50.05	363.04	4.95	-45.10
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020258908	1	45	-1.0	-50.05	363.07	4.95	-45.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=NC=C2Cl)CC1	REAL300020258909	0	47	-1.0	-42.15	389.39	6.15	-36.00
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=NC=C2Cl)CC1	REAL300020258909	1	47	-1.0	-42.12	389.45	6.16	-35.96
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020258909	1	48	0.0	-64.78	399.02	6.58	-58.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=NC=C2Cl)CC1	REAL300020258910	0	44	-1.0	-43.08	367.95	5.38	-37.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=NC=C2Cl)CC1	REAL300020258910	1	44	-1.0	-43.13	367.90	5.35	-37.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020258910	1	45	0.0	-66.60	377.52	5.80	-60.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020258910	1	45	0.0	-66.57	377.46	5.78	-60.79
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258911	0	48	-1.0	-39.76	394.11	9.13	-30.63
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258911	1	48	-1.0	-39.77	394.17	9.15	-30.62
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258912	0	45	-1.0	-42.17	374.21	8.46	-33.71
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258912	1	45	-1.0	-42.18	374.15	8.44	-33.74
CCC1C2=CC(Cl)=CC(Cl)=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258913	0	43	-1.0	-40.20	372.72	8.69	-31.51
CCC1C2=CC(Cl)=CC(Cl)=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258913	1	43	-1.0	-40.23	372.78	8.71	-31.52
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H](C)C1(F)F	REAL300020258914	0	42	-1.0	-40.54	342.97	6.65	-33.89
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H](C)C1(F)F	REAL300020258914	1	42	-1.0	-40.52	343.03	6.66	-33.86
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H](C)C1(F)F	REAL300020258915	0	39	-1.0	-41.93	323.06	5.69	-36.24
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H](C)C1(F)F	REAL300020258915	1	39	-1.0	-41.89	323.11	5.71	-36.18
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H](C)C1(F)F	REAL300020258916	0	46	-1.0	-43.31	373.30	8.76	-34.55
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H](C)C1(F)F	REAL300020258916	1	46	-1.0	-43.26	373.34	8.75	-34.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020258917	0	40	-1.0	-46.29	327.12	4.46	-41.83
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020258917	1	40	-1.0	-46.25	327.17	4.45	-41.80
CN(CC1=NN=NN1C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258918	0	37	-1.0	-46.08	307.20	2.93	-43.15
CN(CC1=NN=NN1C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258918	1	37	-1.0	-46.05	307.25	2.94	-43.11
CN(CC1=NN=NN1C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258919	0	41	-1.0	-49.78	339.04	5.06	-44.72
CN(CC1=NN=NN1C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258919	1	41	-1.0	-49.70	339.06	5.05	-44.65
CN(CCOC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258920	0	44	-1.0	-42.92	367.58	6.91	-36.01
CN(CCOC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258920	1	44	-1.0	-42.92	367.61	6.90	-36.02
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020258921	0	49	-1.0	-39.77	379.41	6.50	-33.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020258921	1	49	-1.0	-39.81	379.46	6.52	-33.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020258922	0	46	-1.0	-43.71	354.62	5.83	-37.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020258922	1	46	-1.0	-43.74	354.68	5.85	-37.89
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020258923	0	53	-1.0	-43.08	405.67	8.66	-34.42
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020258923	1	53	-1.0	-43.04	405.71	8.66	-34.38
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1O	REAL300020258924	0	43	-1.0	-51.07	352.52	2.50	-48.57
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1O	REAL300020258924	1	43	-1.0	-51.11	352.57	2.52	-48.59
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1O	REAL300020258925	0	40	-1.0	-50.75	325.62	1.02	-49.73
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1O	REAL300020258925	1	40	-1.0	-50.76	325.68	1.05	-49.71
COC(=O)C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H]1O	REAL300020258926	0	47	-1.0	-52.29	387.41	4.66	-47.63
COC(=O)C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H]1O	REAL300020258926	1	47	-1.0	-52.22	387.46	4.64	-47.58
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020258927	0	44	-1.0	-44.49	361.76	5.02	-39.47
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020258927	1	44	-1.0	-44.51	361.81	5.04	-39.47
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020258928	0	41	-1.0	-46.59	339.16	4.19	-42.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020258928	1	41	-1.0	-46.59	339.21	4.22	-42.37
C[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCC2=CC=C(Cl)C=C21	REAL300020258929	0	46	-1.0	-40.92	351.90	6.89	-34.03
C[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCC2=CC=C(Cl)C=C21	REAL300020258929	1	46	-1.0	-40.92	351.96	6.90	-34.02
C[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCC2=CC=C(Cl)C=C21	REAL300020258930	0	43	-1.0	-43.75	330.27	6.10	-37.65
C[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCC2=CC=C(Cl)C=C21	REAL300020258930	1	43	-1.0	-43.76	330.32	6.13	-37.63
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258931	0	45	-1.0	-46.27	367.28	7.16	-39.11
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258931	1	45	-1.0	-46.35	367.33	7.17	-39.18
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258932	0	42	-1.0	-51.90	347.77	6.42	-45.48
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258932	1	42	-1.0	-51.87	347.82	6.45	-45.42
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300020258933	0	50	-1.0	-43.15	407.53	8.88	-34.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300020258933	1	50	-1.0	-43.15	407.59	8.89	-34.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300020258934	0	47	-1.0	-47.52	379.58	8.29	-39.23
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300020258934	1	47	-1.0	-47.54	379.64	8.31	-39.23
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300020258935	0	46	-1.0	-50.12	388.49	5.27	-44.85
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300020258935	1	46	-1.0	-50.13	388.54	5.29	-44.84
CC1=CC=C(C2(O)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020258936	0	47	-1.0	-43.25	375.78	5.50	-37.75
CC1=CC=C(C2(O)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020258936	1	47	-1.0	-43.24	375.84	5.51	-37.73
CC1=CC=C(C2(O)CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=C1	REAL300020258937	0	44	-1.0	-48.28	351.24	4.74	-43.54
CC1=CC=C(C2(O)CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=C1	REAL300020258937	1	44	-1.0	-48.28	351.29	4.76	-43.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300020258938	0	41	-1.0	-43.36	356.54	5.97	-37.39
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300020258938	1	41	-1.0	-43.36	356.59	5.98	-37.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300020258939	0	38	-1.0	-45.37	335.04	5.18	-40.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300020258939	1	38	-1.0	-45.40	335.09	5.21	-40.19
COC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020258940	0	40	-1.0	-42.13	335.52	6.66	-35.47
COC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020258940	1	40	-1.0	-42.15	335.57	6.67	-35.48
COC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020258941	0	37	-1.0	-43.71	315.45	5.91	-37.80
COC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020258941	1	37	-1.0	-43.76	315.39	5.88	-37.88
COC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020258942	0	44	-1.0	-43.87	368.02	8.73	-35.14
COC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020258942	1	44	-1.0	-43.88	368.07	8.71	-35.17
COC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=C1OC	REAL300020258943	0	51	-1.0	-45.55	403.97	7.23	-38.32
COC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=C1OC	REAL300020258943	1	51	-1.0	-45.55	404.03	7.25	-38.30
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=C1OC	REAL300020258944	0	48	-1.0	-48.51	382.45	6.44	-42.07
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=C1OC	REAL300020258944	1	48	-1.0	-48.49	382.51	6.46	-42.03
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OCC(C)(C)F)=CC=C2C1	REAL300020258945	0	50	-1.0	-49.23	399.38	7.35	-41.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OCC(C)(C)F)=CC=C2C1	REAL300020258945	1	50	-1.0	-49.25	399.44	7.37	-41.88
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258946	0	38	-1.0	-40.55	341.21	5.87	-34.68
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258946	1	38	-1.0	-40.57	341.27	5.88	-34.69
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258947	0	35	-1.0	-42.57	320.73	5.15	-37.42
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258947	1	35	-1.0	-42.56	320.79	5.17	-37.39
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258948	0	42	-1.0	-43.11	368.88	8.15	-34.96
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258948	1	42	-1.0	-43.15	368.92	8.14	-35.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020258949	0	49	-1.0	-41.20	383.89	6.61	-34.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020258949	1	49	-1.0	-41.20	383.95	6.63	-34.57
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020258950	0	46	-1.0	-44.89	361.72	5.57	-39.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020258950	1	46	-1.0	-44.90	361.77	5.59	-39.31
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020258951	0	53	-1.0	-43.50	412.05	8.41	-35.09
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020258951	1	53	-1.0	-43.48	412.06	8.40	-35.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020258952	0	50	-1.0	-41.40	364.91	9.35	-32.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020258952	1	50	-1.0	-41.42	364.97	9.37	-32.05
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020258953	0	47	-1.0	-45.58	341.02	8.63	-36.95
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020258953	1	47	-1.0	-45.58	341.08	8.66	-36.92
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020258954	0	54	-1.0	-43.35	394.54	11.53	-31.82
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020258954	1	54	-1.0	-43.31	394.57	11.52	-31.79
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC2=CC(Br)=CC=C21	REAL300020258955	0	40	-1.0	-42.67	339.09	7.33	-35.34
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC2=CC(Br)=CC=C21	REAL300020258955	1	40	-1.0	-42.64	339.15	7.35	-35.29
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020258956	0	50	-1.0	-43.49	387.98	8.94	-34.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020258956	1	50	-1.0	-43.47	388.03	8.95	-34.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020258957	0	47	-1.0	-45.97	366.47	8.15	-37.82
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020258957	1	47	-1.0	-46.00	366.54	8.18	-37.82
CN1C(=O)NC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C1=O	REAL300020258958	0	48	-1.0	-46.92	388.60	3.75	-43.17
CN1C(=O)NC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C1=O	REAL300020258958	1	48	-1.0	-46.91	388.66	3.76	-43.15
CN1C(=O)NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C1=O	REAL300020258959	0	45	-1.0	-49.13	362.25	3.12	-46.01
CN1C(=O)NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C1=O	REAL300020258959	1	45	-1.0	-49.13	362.31	3.14	-45.99
CN(CC1=CN=C(N2C=CC=N2)S1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258960	0	42	-1.0	-44.70	369.36	6.72	-37.98
CN(CC1=CN=C(N2C=CC=N2)S1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258960	1	42	-1.0	-44.68	369.31	6.70	-37.98
CN(CC1=CN=C(N2C=CC=N2)S1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258961	0	39	-1.0	-48.07	348.82	5.98	-42.09
CN(CC1=CN=C(N2C=CC=N2)S1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258961	1	39	-1.0	-48.02	348.76	5.95	-42.07
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)C1	REAL300020258962	0	41	-1.0	-47.91	343.18	7.80	-40.11
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)C1	REAL300020258962	1	41	-1.0	-47.84	343.23	7.79	-40.05
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020258963	0	43	-1.0	-43.95	349.77	7.71	-36.24
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020258963	1	43	-1.0	-43.99	349.83	7.73	-36.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020258964	0	40	-1.0	-45.88	328.28	6.92	-38.96
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020258964	1	40	-1.0	-45.90	328.33	6.94	-38.96
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020258965	0	47	-1.0	-46.45	382.01	9.83	-36.62
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020258965	1	47	-1.0	-46.43	382.08	9.81	-36.62
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258966	0	49	-1.0	-43.35	396.84	6.14	-37.21
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258966	1	49	-1.0	-43.34	396.89	6.15	-37.19
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258967	0	46	-1.0	-44.16	374.46	5.77	-38.39
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258967	1	46	-1.0	-44.18	374.52	5.79	-38.39
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020258968	0	44	-1.0	-44.08	361.72	1.08	-43.00
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020258968	1	44	-1.0	-44.06	361.78	1.09	-42.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020258969	0	41	-1.0	-48.64	337.79	0.29	-48.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020258969	1	41	-1.0	-48.68	337.85	0.32	-48.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020258970	0	49	-1.0	-43.72	394.85	8.58	-35.14
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020258970	1	49	-1.0	-43.72	394.80	8.56	-35.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020258971	0	46	-1.0	-47.15	374.44	7.83	-39.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020258971	1	46	-1.0	-47.14	374.38	7.80	-39.34
CN(CC1=CC=C(F)C(C(F)(F)F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258972	0	42	-1.0	-42.74	366.39	8.18	-34.56
CN(CC1=CC=C(F)C(C(F)(F)F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258972	1	42	-1.0	-42.68	366.45	8.19	-34.49
CN(CC1=CC=C(F)C(C(F)(F)F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258973	0	39	-1.0	-46.31	345.84	7.43	-38.88
CN(CC1=CC=C(F)C(C(F)(F)F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258973	1	39	-1.0	-46.30	345.90	7.45	-38.85
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258974	0	48	-1.0	-42.67	378.10	9.38	-33.29
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258974	1	48	-1.0	-42.68	378.14	9.37	-33.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020258975	0	43	-1.0	-39.94	354.50	7.99	-31.95
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020258975	1	43	-1.0	-39.99	354.55	8.00	-31.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020258976	0	40	-1.0	-41.90	326.74	7.28	-34.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020258976	1	40	-1.0	-41.92	326.79	7.30	-34.62
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020258977	0	47	-1.0	-48.27	382.69	10.17	-38.10
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020258977	1	47	-1.0	-48.18	382.73	10.16	-38.02
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OCC(C)(C)C)=CC=C2C1	REAL300020258978	0	56	-1.0	-44.15	435.68	8.89	-35.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OCC(C)(C)C)=CC=C2C1	REAL300020258978	1	56	-1.0	-44.11	435.74	8.90	-35.21
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OCC(C)(C)C)=CC=C2C1	REAL300020258979	0	53	-1.0	-46.35	412.46	7.91	-38.44
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OCC(C)(C)C)=CC=C2C1	REAL300020258979	1	53	-1.0	-46.34	412.52	7.93	-38.41
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020258980	0	43	-1.0	-50.08	375.83	9.32	-40.76
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020258980	1	43	-1.0	-50.10	375.77	9.30	-40.80
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020258981	0	40	-1.0	-52.05	353.27	8.51	-43.54
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020258981	1	40	-1.0	-52.07	353.22	8.48	-43.59
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020258982	0	41	-1.0	-49.72	348.27	4.68	-45.04
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020258982	1	41	-1.0	-49.69	348.22	4.67	-45.02
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020258983	0	38	-1.0	-52.57	327.76	3.93	-48.64
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020258983	1	38	-1.0	-52.59	327.70	3.91	-48.68
CN1C(NC2=NN(C3CCNC3=O)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020258984	0	45	-1.0	-52.10	380.39	6.75	-45.35
CN1C(NC2=NN(C3CCNC3=O)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020258984	1	45	-1.0	-52.15	380.35	6.76	-45.39
CN(CC1=NN(C)C=C1Br)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258985	0	39	-1.0	-45.04	342.72	5.29	-39.75
CN(CC1=NN(C)C=C1Br)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258985	1	39	-1.0	-45.06	342.77	5.30	-39.76
CN(CC1=NN(C)C=C1Br)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258986	0	36	-1.0	-48.67	322.16	4.54	-44.13
CN(CC1=NN(C)C=C1Br)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258986	1	36	-1.0	-48.69	322.22	4.56	-44.13
C#CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020258987	0	42	-1.0	-44.86	347.13	6.01	-38.85
C#CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020258987	1	42	-1.0	-44.95	347.19	6.02	-38.93
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020258988	0	39	-1.0	-47.72	326.74	5.25	-42.47
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020258988	1	39	-1.0	-47.69	326.80	5.27	-42.42
C#CCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020258989	0	46	-1.0	-47.40	379.07	8.11	-39.29
C#CCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020258989	1	46	-1.0	-47.36	379.12	8.11	-39.25
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCSCC1	REAL300020258990	0	40	-1.0	-40.63	320.21	6.20	-34.43
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCSCC1	REAL300020258990	1	40	-1.0	-40.59	320.27	6.22	-34.37
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCSCC1	REAL300020258991	0	44	-1.0	-42.96	351.92	8.27	-34.69
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCSCC1	REAL300020258991	1	44	-1.0	-42.96	351.96	8.26	-34.70
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020258992	0	41	-1.0	-50.63	349.60	3.74	-46.89
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020258992	1	41	-1.0	-50.63	349.54	3.72	-46.91
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020258993	0	38	-1.0	-53.42	328.10	2.96	-50.46
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020258993	1	38	-1.0	-53.37	328.04	2.94	-50.43
CN1C(NC2=CN(C3CCNC3=O)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020258994	0	45	-1.0	-52.88	380.64	5.78	-47.10
CN1C(NC2=CN(C3CCNC3=O)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020258994	1	45	-1.0	-52.91	380.61	5.79	-47.12
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258995	0	48	-1.0	-41.32	383.50	9.52	-31.80
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258995	1	48	-1.0	-41.33	383.56	9.53	-31.80
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258996	0	45	-1.0	-42.13	367.97	8.46	-33.67
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258996	1	45	-1.0	-42.11	368.03	8.49	-33.62
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020258997	0	52	-1.0	-43.92	413.56	11.60	-32.32
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020258997	1	52	-1.0	-43.92	413.59	11.58	-32.34
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020258998	0	39	-1.0	-43.04	337.07	6.87	-36.17
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020258998	1	39	-1.0	-43.03	337.12	6.88	-36.15
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020258999	0	36	-1.0	-43.94	309.22	6.37	-37.57
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020258999	1	36	-1.0	-43.91	309.16	6.35	-37.56
CN(CC1=CC=CC(F)=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259000	0	43	-1.0	-44.86	361.54	9.22	-35.64
CN(CC1=CC=CC(F)=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259000	1	43	-1.0	-44.86	361.58	9.21	-35.65
CN(CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259001	0	46	-1.0	-43.91	381.55	8.32	-35.59
CN(CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259001	1	46	-1.0	-43.88	381.49	8.31	-35.57
CN(CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259002	0	43	-1.0	-46.26	361.00	7.58	-38.68
CN(CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259002	1	43	-1.0	-46.27	360.94	7.56	-38.71
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1CCC(C(F)F)CC1	REAL300020259003	0	45	-1.0	-42.21	357.27	7.28	-34.93
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1CCC(C(F)F)CC1	REAL300020259003	1	45	-1.0	-42.18	357.33	7.30	-34.88
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1CCC(C(F)F)CC1	REAL300020259004	0	42	-1.0	-43.79	336.18	6.51	-37.28
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1CCC(C(F)F)CC1	REAL300020259004	1	42	-1.0	-43.76	336.23	6.54	-37.22
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCC(C(F)F)CC1	REAL300020259005	0	49	-1.0	-43.70	386.79	9.97	-33.73
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCC(C(F)F)CC1	REAL300020259005	1	49	-1.0	-43.70	386.87	9.96	-33.74
COC(=O)C1(CF)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259006	0	42	-1.0	-47.34	346.37	5.79	-41.55
COC(=O)C1(CF)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259006	1	42	-1.0	-47.36	346.43	5.80	-41.56
COC(=O)C1(CF)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259007	0	39	-1.0	-50.69	323.79	4.95	-45.74
COC(=O)C1(CF)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259007	1	39	-1.0	-50.66	323.85	4.97	-45.69
COC(=O)C1(CF)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259008	0	46	-1.0	-49.41	380.03	7.93	-41.48
COC(=O)C1(CF)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259008	1	46	-1.0	-49.42	380.08	7.91	-41.51
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CNC(=O)OC(C)(C)C)C(C)(C)C1	REAL300020259009	0	56	-1.0	-47.04	434.25	5.02	-42.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CNC(=O)OC(C)(C)C)C(C)(C)C1	REAL300020259009	1	56	-1.0	-47.07	434.30	5.04	-42.03
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259010	0	43	-1.0	-41.06	373.33	8.98	-32.08
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259010	1	43	-1.0	-41.10	373.39	8.99	-32.11
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259011	0	40	-1.0	-41.91	353.66	8.28	-33.63
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259011	1	40	-1.0	-41.87	353.61	8.25	-33.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)C2CCCCC2)CC1	REAL300020259012	0	52	-1.0	-49.13	404.56	5.40	-43.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)C2CCCCC2)CC1	REAL300020259012	1	52	-1.0	-49.17	404.61	5.43	-43.74
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1=O	REAL300020259013	0	39	-1.0	-44.21	332.43	5.03	-39.18
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1=O	REAL300020259013	1	39	-1.0	-44.25	332.48	5.04	-39.21
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1=O	REAL300020259014	0	36	-1.0	-45.51	310.98	4.27	-41.24
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1=O	REAL300020259014	1	36	-1.0	-45.50	310.93	4.24	-41.26
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1=O	REAL300020259015	0	43	-1.0	-46.84	363.53	7.11	-39.73
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1=O	REAL300020259015	1	43	-1.0	-46.87	363.32	7.10	-39.77
CC1=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=CC=C1Br	REAL300020259016	0	42	-1.0	-40.23	361.57	8.31	-31.92
CC1=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=CC=C1Br	REAL300020259016	1	42	-1.0	-40.23	361.62	8.33	-31.90
CC1=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=CC=C1Br	REAL300020259017	0	39	-1.0	-43.25	341.00	7.56	-35.69
CC1=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=CC=C1Br	REAL300020259017	1	39	-1.0	-43.28	341.06	7.59	-35.69
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259018	0	41	-1.0	-44.28	335.56	5.78	-38.50
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259018	1	41	-1.0	-44.25	335.59	5.77	-38.48
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259019	0	47	-1.0	-42.03	381.79	8.03	-34.00
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259019	1	47	-1.0	-42.07	381.85	8.05	-34.02
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259020	0	44	-1.0	-45.37	361.29	7.30	-38.07
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259020	1	44	-1.0	-45.36	361.24	7.27	-38.09
CC(C)N(CCNC(=O)OC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259021	0	55	-1.0	-48.73	424.87	4.03	-44.70
CC(C)N(CCNC(=O)OC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259021	1	55	-1.0	-48.71	424.93	4.04	-44.67
CC(C)N(CCNC(=O)OC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259022	0	52	-1.0	-52.03	403.86	3.32	-48.71
CC(C)N(CCNC(=O)OC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259022	1	52	-1.0	-52.02	403.91	3.34	-48.68
CC1=CC(Cl)=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020259023	0	43	-1.0	-39.73	365.03	8.54	-31.19
CC1=CC(Cl)=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020259023	1	43	-1.0	-39.80	365.09	8.55	-31.25
CC1=CC(Cl)=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020259024	0	40	-1.0	-46.38	333.98	6.54	-39.84
CC1=CC(Cl)=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020259024	1	40	-1.0	-46.38	334.03	6.57	-39.81
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2=C1	REAL300020259025	0	40	-1.0	-41.56	328.64	7.20	-34.36
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2=C1	REAL300020259025	1	40	-1.0	-41.53	328.70	7.21	-34.32
CC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CC2=C1	REAL300020259026	0	44	-1.0	-43.42	360.94	9.29	-34.13
CC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CC2=C1	REAL300020259026	1	44	-1.0	-43.43	361.01	9.27	-34.16
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259027	0	40	-1.0	-45.80	318.41	4.70	-41.10
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259027	1	40	-1.0	-45.81	318.46	4.72	-41.09
CC1CN2N=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259028	0	37	-1.0	-48.82	303.64	3.55	-45.27
CC1CN2N=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259028	1	37	-1.0	-48.78	303.59	3.53	-45.25
CC1CN2N=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259029	0	44	-1.0	-48.51	349.59	6.79	-41.72
CC1CN2N=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259029	1	44	-1.0	-48.46	349.63	6.78	-41.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300020259030	0	47	-1.0	-41.07	389.96	8.44	-32.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300020259030	1	47	-1.0	-41.03	390.02	8.46	-32.57
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300020259031	0	44	-1.0	-42.13	368.47	7.65	-34.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300020259031	1	44	-1.0	-42.11	368.52	7.67	-34.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020259032	0	47	-1.0	-49.78	370.06	3.41	-46.37
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020259032	1	47	-1.0	-49.75	370.11	3.42	-46.33
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020259033	0	44	-1.0	-51.64	354.53	2.53	-49.11
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020259033	1	44	-1.0	-51.63	354.59	2.56	-49.07
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020259034	0	42	-1.0	-41.95	344.99	6.76	-35.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020259034	1	42	-1.0	-41.94	345.05	6.77	-35.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020259035	0	39	-1.0	-46.63	317.97	6.24	-40.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020259035	1	39	-1.0	-46.62	318.02	6.26	-40.36
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020259036	0	46	-1.0	-44.46	365.02	8.50	-35.96
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020259036	1	46	-1.0	-44.43	365.06	8.49	-35.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300020259037	0	51	-1.0	-48.52	401.28	6.84	-41.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300020259037	1	51	-1.0	-48.55	401.34	6.85	-41.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300020259038	0	48	-1.0	-50.71	379.23	6.23	-44.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300020259038	1	48	-1.0	-50.70	379.29	6.25	-44.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020259039	0	44	-1.0	-46.68	371.48	5.12	-41.56
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020259039	1	44	-1.0	-46.68	371.54	5.14	-41.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020259040	0	44	-1.0	-48.35	368.56	5.07	-43.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020259040	1	44	-1.0	-48.38	368.61	5.10	-43.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300020259041	0	50	-1.0	-44.83	388.52	9.84	-34.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300020259041	1	50	-1.0	-44.88	388.58	9.86	-35.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300020259042	0	47	-1.0	-45.31	369.82	9.18	-36.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300020259042	1	47	-1.0	-45.32	369.87	9.21	-36.11
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259043	0	49	-1.0	-40.65	389.88	9.12	-31.53
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259043	1	49	-1.0	-40.65	389.94	9.14	-31.51
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259044	0	46	-1.0	-42.52	369.43	8.36	-34.16
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259044	1	46	-1.0	-42.51	369.49	8.39	-34.12
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1CC1=CC=CC=C1	REAL300020259045	0	52	-1.0	-45.44	422.39	9.43	-36.01
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1CC1=CC=CC=C1	REAL300020259045	1	52	-1.0	-45.41	422.44	9.45	-35.96
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1CC1=CC=CC=C1	REAL300020259046	0	49	-1.0	-47.37	397.83	8.15	-39.22
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1CC1=CC=CC=C1	REAL300020259046	1	49	-1.0	-47.37	397.89	8.17	-39.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020259047	0	50	-1.0	-39.49	365.42	7.36	-32.13
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020259047	1	50	-1.0	-39.49	365.48	7.38	-32.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020259048	0	47	-1.0	-42.07	338.85	7.03	-35.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020259048	1	47	-1.0	-42.05	338.91	7.06	-34.99
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020259049	0	54	-1.0	-42.96	391.67	9.93	-33.03
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020259049	1	54	-1.0	-42.90	391.69	9.94	-32.96
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020259050	0	43	-1.0	-40.12	340.32	5.13	-34.99
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020259050	1	43	-1.0	-40.14	340.38	5.14	-35.00
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020259051	0	47	-1.0	-43.58	367.05	7.58	-36.00
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020259051	1	47	-1.0	-43.57	367.10	7.57	-36.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020259052	0	46	-1.0	-41.59	340.16	7.58	-34.01
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020259052	1	46	-1.0	-41.62	340.22	7.59	-34.03
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020259053	0	43	-1.0	-43.94	317.83	6.73	-37.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020259053	1	43	-1.0	-43.97	317.89	6.76	-37.21
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020259054	0	50	-1.0	-43.02	368.84	9.95	-33.07
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020259054	1	50	-1.0	-42.99	368.87	9.93	-33.06
C=CCCC1(C(=O)OC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259055	0	52	-1.0	-46.02	409.12	8.40	-37.62
C=CCCC1(C(=O)OC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259055	1	52	-1.0	-46.04	409.18	8.42	-37.62
C=CCCC1(C(=O)OC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259056	0	49	-1.0	-48.20	387.62	7.62	-40.58
C=CCCC1(C(=O)OC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259056	1	49	-1.0	-48.20	387.68	7.64	-40.56
COC1=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C)=CC=C1C	REAL300020259057	0	40	-1.0	-43.42	334.56	7.56	-35.86
COC1=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C)=CC=C1C	REAL300020259057	1	40	-1.0	-43.42	334.50	7.54	-35.88
COC1=CC(NC2=NN=C(CC3=NN=N[N-]3)N2C)=CC=C1C	REAL300020259058	0	37	-1.0	-45.14	312.65	6.70	-38.44
COC1=CC(NC2=NN=C(CC3=N[N-]N=N3)N2C)=CC=C1C	REAL300020259058	1	37	-1.0	-45.14	312.59	6.68	-38.46
COC1=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=CC=C1C	REAL300020259059	0	44	-1.0	-46.06	365.50	9.58	-36.48
COC1=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=CC=C1C	REAL300020259059	1	44	-1.0	-46.05	365.44	9.59	-36.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)NCC2CC2)C1	REAL300020259060	0	48	-1.0	-50.68	403.88	3.08	-47.60
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)NCC2CC2)C1	REAL300020259060	1	48	-1.0	-50.73	403.93	3.09	-47.64
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)NCC2CC2)C1	REAL300020259061	0	45	-1.0	-53.16	383.23	2.39	-50.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)NCC2CC2)C1	REAL300020259061	1	45	-1.0	-53.21	383.29	2.41	-50.80
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020259062	0	40	-1.0	-46.64	330.77	4.43	-42.21
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020259062	1	40	-1.0	-46.64	330.83	4.45	-42.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020259063	0	37	-1.0	-48.39	309.33	3.67	-44.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020259063	1	37	-1.0	-48.37	309.28	3.65	-44.72
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020259064	0	44	-1.0	-52.85	358.88	5.27	-47.58
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020259064	1	44	-1.0	-52.87	358.91	5.26	-47.61
CC1C2=CC=C(Cl)C=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259065	0	43	-1.0	-40.89	354.85	8.58	-32.31
CC1C2=CC=C(Cl)C=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259065	1	43	-1.0	-40.88	354.90	8.60	-32.28
CC1C2=CC=C(Cl)C=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259066	0	40	-1.0	-42.84	341.83	6.93	-35.91
CC1C2=CC=C(Cl)C=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259066	1	40	-1.0	-42.82	341.77	6.91	-35.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020259067	0	40	-1.0	-47.55	335.86	6.50	-41.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020259067	1	40	-1.0	-47.55	335.92	6.51	-41.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020259068	0	37	-1.0	-44.49	323.80	5.58	-38.91
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020259068	1	37	-1.0	-44.47	323.86	5.61	-38.86
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020259069	0	44	-1.0	-49.97	367.79	8.62	-41.35
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020259069	1	44	-1.0	-49.97	367.82	8.61	-41.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300020259070	0	47	-1.0	-44.07	380.19	5.72	-38.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300020259070	1	47	-1.0	-44.08	380.25	5.73	-38.35
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300020259071	0	44	-1.0	-44.58	359.30	4.76	-39.82
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300020259071	1	44	-1.0	-44.56	359.36	4.79	-39.77
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=C(Cl)C=C2)C1	REAL300020259072	0	47	-1.0	-44.10	393.14	6.19	-37.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=C(Cl)C=C2)C1	REAL300020259072	1	47	-1.0	-44.09	393.20	6.21	-37.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=C(Cl)C=C2)C1	REAL300020259073	0	44	-1.0	-46.62	370.53	5.37	-41.25
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=C(Cl)C=C2)C1	REAL300020259073	1	44	-1.0	-46.61	370.59	5.40	-41.21
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020259074	0	47	-1.0	-40.55	374.74	8.88	-31.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020259074	1	47	-1.0	-40.58	374.80	8.89	-31.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020259075	0	44	-1.0	-45.63	347.33	8.05	-37.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020259075	1	44	-1.0	-45.63	347.39	8.07	-37.56
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020259076	0	51	-1.0	-43.68	406.98	10.90	-32.78
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020259076	1	51	-1.0	-43.68	407.02	10.89	-32.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020259077	0	50	-1.0	-41.35	363.55	7.04	-34.31
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020259077	1	50	-1.0	-41.37	363.61	7.06	-34.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020259078	0	47	-1.0	-43.89	342.03	6.28	-37.61
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020259078	1	47	-1.0	-43.91	342.09	6.30	-37.61
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020259079	0	54	-1.0	-43.88	395.46	9.19	-34.69
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020259079	1	54	-1.0	-43.88	395.49	9.17	-34.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020259080	0	44	-1.0	-47.32	346.11	3.63	-43.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020259080	1	44	-1.0	-47.30	346.16	3.65	-43.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020259081	0	41	-1.0	-44.41	321.49	2.74	-41.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020259081	1	41	-1.0	-44.46	321.55	2.77	-41.69
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020259082	0	48	-1.0	-46.70	374.01	5.59	-41.11
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020259082	1	48	-1.0	-46.66	374.03	5.58	-41.08
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259083	0	44	-1.0	-43.40	356.80	8.61	-34.79
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259083	1	44	-1.0	-43.39	356.59	8.61	-34.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020259084	0	41	-1.0	-48.84	352.17	0.57	-48.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020259084	1	41	-1.0	-48.83	352.23	0.59	-48.24
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020259085	0	38	-1.0	-49.45	330.59	-0.21	-49.66
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020259085	1	38	-1.0	-49.48	330.65	-0.19	-49.67
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020259086	0	45	-1.0	-50.27	379.62	2.78	-47.49
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020259086	1	45	-1.0	-50.29	379.68	2.77	-47.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020259087	0	43	-1.0	-42.74	337.53	3.42	-39.32
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020259087	1	43	-1.0	-42.72	337.59	3.44	-39.28
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020259088	0	47	-1.0	-43.60	376.27	5.31	-38.29
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020259088	1	47	-1.0	-43.60	376.33	5.30	-38.30
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020259089	0	39	-1.0	-42.76	325.42	6.26	-36.50
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020259089	1	39	-1.0	-42.78	325.47	6.27	-36.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(F)F)C1	REAL300020259090	0	43	-1.0	-44.52	353.80	8.26	-36.26
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(F)F)C1	REAL300020259090	1	43	-1.0	-44.51	353.83	8.24	-36.27
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259091	0	46	0.0	-66.24	349.71	6.55	-59.69
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259091	1	46	0.0	-65.68	357.43	7.22	-58.46
C=CCN1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259091	1	45	-1.0	-40.34	351.78	4.83	-35.51
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259092	0	43	0.0	-63.98	329.63	6.58	-57.40
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259092	1	43	0.0	-66.01	328.42	6.67	-59.34
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259092	1	43	0.0	-63.97	329.69	6.61	-57.36
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259092	1	43	0.0	-65.99	328.47	6.70	-59.29
C=CC[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020259093	0	50	0.0	-70.69	382.26	9.44	-61.25
C=CC[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020259093	1	50	0.0	-71.77	382.58	9.67	-62.10
C=CC[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020259093	1	50	0.0	-70.66	382.22	9.45	-61.21
C=CC[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020259093	1	50	0.0	-71.81	382.55	9.68	-62.13
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=N1	REAL300020259094	0	39	-1.0	-52.30	346.33	8.80	-43.50
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=N1	REAL300020259094	1	39	-1.0	-52.31	346.30	8.81	-43.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020259095	0	50	0.0	-65.91	367.69	7.23	-58.68
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020259095	1	50	0.0	-65.90	367.75	7.24	-58.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020259096	0	47	0.0	-69.70	345.15	6.40	-63.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020259096	1	47	0.0	-69.74	345.21	6.43	-63.31
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020259097	0	54	0.0	-71.28	401.26	9.38	-61.90
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020259097	1	54	0.0	-71.23	401.03	9.35	-61.88
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C	REAL300020259098	0	51	-1.0	-46.04	405.31	4.99	-41.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C	REAL300020259098	1	51	-1.0	-46.06	405.37	5.01	-41.05
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C	REAL300020259099	0	48	-1.0	-49.39	386.48	4.23	-45.16
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C	REAL300020259099	1	48	-1.0	-49.41	386.54	4.26	-45.15
CC1CC2(CCCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259100	0	46	-1.0	-40.68	354.83	7.41	-33.27
CC1CC2(CCCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259100	1	46	-1.0	-40.68	354.89	7.43	-33.25
CC1CC2(CCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259101	0	43	-1.0	-43.58	333.33	6.63	-36.95
CC1CC2(CCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259101	1	43	-1.0	-43.56	333.39	6.65	-36.91
CC1CC2(CCCC2)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259102	0	50	-1.0	-43.51	375.08	8.87	-34.64
CC1CC2(CCCC2)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259102	1	50	-1.0	-43.51	375.11	8.86	-34.65
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CCOC1	REAL300020259103	0	44	-1.0	-43.95	337.55	6.00	-37.95
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CCOC1	REAL300020259103	1	44	-1.0	-43.96	337.58	5.99	-37.97
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020259104	0	46	-1.0	-41.50	341.24	7.99	-33.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020259104	1	46	-1.0	-41.50	341.29	8.01	-33.49
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020259105	0	43	-1.0	-44.67	327.15	6.66	-38.01
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020259105	1	43	-1.0	-44.66	327.21	6.69	-37.97
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(C)CCCC12	REAL300020259106	0	50	-1.0	-43.11	375.04	9.91	-33.20
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(C)CCCC12	REAL300020259106	1	50	-1.0	-43.10	375.09	9.91	-33.19
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020259107	0	45	-1.0	-47.54	365.89	4.26	-43.28
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020259107	1	45	-1.0	-47.53	365.94	4.27	-43.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020259108	0	42	-1.0	-48.95	344.44	3.46	-45.49
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020259108	1	42	-1.0	-49.00	344.50	3.48	-45.52
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020259109	0	49	-1.0	-51.52	399.85	6.25	-45.27
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020259109	1	49	-1.0	-51.54	399.94	6.23	-45.31
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020259110	0	46	-1.0	-41.33	374.86	8.49	-32.84
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020259110	1	46	-1.0	-41.36	374.92	8.50	-32.86
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020259111	0	43	-1.0	-42.82	352.69	8.06	-34.76
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020259111	1	43	-1.0	-42.80	352.75	8.09	-34.71
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020259112	0	50	-1.0	-45.01	397.89	11.04	-33.97
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020259112	1	50	-1.0	-44.97	398.08	11.03	-33.94
CN(CC1=C(Br)SC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259113	0	36	-1.0	-41.56	336.10	6.73	-34.83
CN(CC1=C(Br)SC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259113	1	36	-1.0	-41.54	336.16	6.75	-34.79
CN(CC1=C(Br)SC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259114	0	33	-1.0	-45.52	313.56	6.04	-39.48
CN(CC1=C(Br)SC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259114	1	33	-1.0	-45.49	313.63	6.06	-39.43
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259115	0	39	-1.0	-45.17	339.33	5.24	-39.93
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259115	1	39	-1.0	-45.14	339.38	5.25	-39.89
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259116	0	36	-1.0	-48.67	318.77	4.48	-44.19
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259116	1	36	-1.0	-48.70	318.83	4.50	-44.20
CN(CC1=NN(C)C=C1Cl)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259117	0	43	-1.0	-47.41	371.17	7.36	-40.05
CN(CC1=NN(C)C=C1Cl)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259117	1	43	-1.0	-47.40	371.19	7.35	-40.05
CCN(CCOCCOC)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259118	0	46	-1.0	-41.69	374.25	4.12	-37.57
CCN(CCOCCOC)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259118	1	46	-1.0	-41.70	374.31	4.13	-37.57
CCN(CCOCCOC)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259119	0	43	-1.0	-44.94	350.47	3.55	-41.39
CCN(CCOCCOC)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259119	1	43	-1.0	-44.99	350.52	3.57	-41.42
CCN(CCOCCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259120	0	50	-1.0	-44.26	402.85	6.43	-37.83
CCN(CCOCCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259120	1	50	-1.0	-44.26	402.88	6.42	-37.84
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1Cl	REAL300020259121	0	43	-1.0	-42.39	378.60	9.88	-32.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1Cl	REAL300020259121	1	43	-1.0	-42.39	378.66	9.89	-32.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1Cl	REAL300020259122	0	40	-1.0	-43.36	357.84	8.84	-34.52
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1Cl	REAL300020259122	1	40	-1.0	-43.41	357.90	8.87	-34.54
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259123	0	44	-1.0	-42.40	365.86	6.33	-36.07
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259123	1	44	-1.0	-42.41	365.91	6.35	-36.06
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259124	0	41	-1.0	-46.12	336.84	5.10	-41.02
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259124	1	41	-1.0	-46.19	336.89	5.10	-41.09
C#CCC1(C(=O)OC)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259125	0	48	-1.0	-44.58	398.62	8.28	-36.30
C#CCC1(C(=O)OC)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259125	1	48	-1.0	-44.59	398.66	8.26	-36.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020259126	0	48	-1.0	-46.36	365.77	4.03	-42.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020259126	1	48	-1.0	-46.39	365.82	4.05	-42.34
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020259127	0	45	-1.0	-46.09	351.15	3.73	-42.36
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020259127	1	45	-1.0	-46.11	351.21	3.75	-42.36
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259128	0	48	-1.0	-40.71	374.96	6.01	-34.70
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259128	1	48	-1.0	-40.73	375.02	6.03	-34.70
CCN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259129	0	45	-1.0	-45.04	351.16	5.43	-39.61
CCN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259129	1	45	-1.0	-45.03	351.22	5.46	-39.57
CCN(CCOC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259130	0	52	-1.0	-43.33	403.55	8.31	-35.02
CCN(CCOC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259130	1	52	-1.0	-43.34	403.58	8.30	-35.04
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020259131	0	46	-1.0	-47.13	372.82	5.67	-41.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020259131	1	46	-1.0	-47.16	372.87	5.68	-41.48
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020259132	0	43	-1.0	-49.08	352.36	4.90	-44.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020259132	1	43	-1.0	-49.07	352.42	4.92	-44.15
COCCC1(C(=O)OC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259133	0	52	-1.0	-46.74	408.48	6.15	-40.59
COCCC1(C(=O)OC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259133	1	52	-1.0	-46.74	408.54	6.16	-40.58
COCCC1(C(=O)OC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259134	0	49	-1.0	-48.54	386.99	5.36	-43.18
COCCC1(C(=O)OC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259134	1	49	-1.0	-48.56	387.05	5.39	-43.17
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259135	0	44	-1.0	-42.72	354.21	8.66	-34.06
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259135	1	44	-1.0	-42.69	354.26	8.65	-34.04
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020259136	0	48	-1.0	-41.04	366.59	6.73	-34.31
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020259136	1	48	-1.0	-41.07	366.64	6.74	-34.33
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020259137	0	45	-1.0	-43.24	345.04	5.93	-37.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020259137	1	45	-1.0	-43.24	345.10	5.96	-37.28
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020259138	0	52	-1.0	-43.56	398.46	8.85	-34.71
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020259138	1	52	-1.0	-43.50	398.49	8.84	-34.66
CC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C)O1	REAL300020259139	0	46	-1.0	-39.91	350.72	5.40	-34.51
CC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C)O1	REAL300020259139	1	46	-1.0	-39.93	350.78	5.41	-34.52
CC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C)O1	REAL300020259140	0	43	-1.0	-43.97	323.30	4.69	-39.28
CC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C)O1	REAL300020259140	1	43	-1.0	-44.00	323.36	4.72	-39.28
CC1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(C)O1	REAL300020259141	0	50	-1.0	-42.81	376.45	7.64	-35.17
CC1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(C)O1	REAL300020259141	1	50	-1.0	-42.77	376.50	7.63	-35.14
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020259142	0	38	-1.0	-41.94	316.87	2.87	-39.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020259142	1	38	-1.0	-41.96	316.92	2.88	-39.08
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020259143	0	42	-1.0	-44.62	348.00	4.96	-39.66
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020259143	1	42	-1.0	-44.62	348.05	4.95	-39.67
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=CSC3=CC=C2)CC1	REAL300020259144	0	48	-1.0	-42.20	397.35	8.01	-34.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=CSC3=CC=C2)CC1	REAL300020259144	1	48	-1.0	-42.21	397.40	8.03	-34.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=CSC3=CC=C2)CC1	REAL300020259145	0	45	-1.0	-44.33	375.75	7.21	-37.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=CSC3=CC=C2)CC1	REAL300020259145	1	45	-1.0	-44.31	375.80	7.24	-37.07
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCN1C1CC1	REAL300020259146	0	45	-1.0	-40.86	350.89	5.00	-35.86
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@@H+]1C1CC1	REAL300020259146	1	46	0.0	-62.83	355.11	7.17	-55.66
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[N@H+]1C1CC1	REAL300020259146	1	46	0.0	-60.55	354.00	7.00	-53.55
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCN1C1CC1	REAL300020259146	1	45	-1.0	-40.87	350.95	5.01	-35.86
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@@H+]1C1CC1	REAL300020259147	0	43	0.0	-58.53	334.19	6.55	-51.98
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC[N@H+]1C1CC1	REAL300020259147	1	43	0.0	-62.97	322.96	5.71	-57.26
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@@H+]1C1CC1	REAL300020259147	1	43	0.0	-58.54	334.24	6.58	-51.96
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC[N@H+]1C1CC1	REAL300020259147	1	43	0.0	-62.95	323.02	5.73	-57.22
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCN1C1CC1	REAL300020259147	1	42	-1.0	-42.81	329.14	3.99	-38.82
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1C1CC1	REAL300020259147	1	42	-1.0	-42.78	329.20	4.01	-38.77
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[N@@H+]1C1CC1	REAL300020259148	0	50	0.0	-66.31	391.63	9.21	-57.10
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[N@H+]1C1CC1	REAL300020259148	1	50	0.0	-69.30	380.87	9.44	-59.86
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCN1C1CC1	REAL300020259148	1	49	-1.0	-42.49	373.29	6.40	-36.09
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCN1C1CC1	REAL300020259148	1	49	-1.0	-42.47	373.33	6.39	-36.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020259149	0	48	-1.0	-40.74	378.04	4.34	-36.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020259149	1	48	-1.0	-40.77	378.09	4.35	-36.42
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020259150	0	45	-1.0	-42.27	356.54	3.55	-38.72
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020259150	1	45	-1.0	-42.26	356.59	3.58	-38.68
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020259151	0	52	-1.0	-44.25	398.54	6.09	-38.16
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020259151	1	52	-1.0	-44.22	398.58	6.08	-38.14
C=CCN(CC1=CC=C(Br)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259152	0	40	-1.0	-41.81	358.17	8.36	-33.45
C=CCN(CC1=CC=C(Br)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259152	1	40	-1.0	-41.81	358.23	8.38	-33.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(F)(F)Cl)C1	REAL300020259153	0	39	-1.0	-42.21	350.37	6.60	-35.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(F)(F)Cl)C1	REAL300020259153	1	39	-1.0	-42.20	350.43	6.62	-35.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(F)(F)Cl)C1	REAL300020259154	0	36	-1.0	-43.16	328.87	5.82	-37.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(F)(F)Cl)C1	REAL300020259154	1	36	-1.0	-43.19	328.93	5.84	-37.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020259155	0	48	-1.0	-42.01	381.91	7.78	-34.23
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020259155	1	48	-1.0	-42.02	381.96	7.79	-34.23
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020259156	0	45	-1.0	-44.59	360.48	6.96	-37.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020259156	1	45	-1.0	-44.55	360.54	7.00	-37.55
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020259157	0	43	-1.0	-42.26	360.34	8.85	-33.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020259157	1	43	-1.0	-42.29	360.39	8.86	-33.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020259158	0	40	-1.0	-42.66	339.84	8.09	-34.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020259158	1	40	-1.0	-42.63	339.90	8.12	-34.51
COC1=CC=C(C)C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020259159	0	50	-1.0	-45.12	395.01	8.53	-36.59
COC1=CC=C(C)C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020259159	1	50	-1.0	-45.12	395.06	8.55	-36.57
COC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020259160	0	47	-1.0	-46.30	373.56	7.77	-38.53
COC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020259160	1	47	-1.0	-46.26	373.50	7.75	-38.51
COC1=CC(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCO2)=CC=C1F	REAL300020259161	0	48	-1.0	-44.14	400.48	6.28	-37.86
COC1=CC(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCO2)=CC=C1F	REAL300020259161	1	48	-1.0	-44.13	400.54	6.29	-37.84
COC1=CC(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCO2)=CC=C1F	REAL300020259162	0	45	-1.0	-46.29	378.11	5.44	-40.85
COC1=CC(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCO2)=CC=C1F	REAL300020259162	1	45	-1.0	-46.27	378.17	5.46	-40.81
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259163	0	39	-1.0	-40.50	331.07	6.38	-34.12
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259163	1	39	-1.0	-40.54	331.13	6.40	-34.14
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259164	0	36	-1.0	-43.83	304.68	4.36	-39.47
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259164	1	36	-1.0	-43.89	304.74	4.38	-39.51
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259165	0	43	-1.0	-44.92	357.40	7.47	-37.45
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259165	1	43	-1.0	-44.85	357.46	7.47	-37.38
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCC1(F)F	REAL300020259166	0	42	-1.0	-40.20	334.86	6.31	-33.89
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCC1(F)F	REAL300020259166	1	42	-1.0	-40.22	334.92	6.33	-33.89
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCC1(F)F	REAL300020259167	0	39	-1.0	-42.11	305.24	5.22	-36.89
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCC1(F)F	REAL300020259167	1	39	-1.0	-42.11	305.30	5.25	-36.86
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCC1(F)F	REAL300020259168	0	46	-1.0	-42.08	367.27	8.71	-33.37
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCC1(F)F	REAL300020259168	1	46	-1.0	-42.12	367.33	8.69	-33.43
CC1CC(C2CCCCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259169	0	52	-1.0	-41.34	390.77	8.86	-32.48
CC1CC(C2CCCCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259169	1	52	-1.0	-41.32	390.83	8.87	-32.45
CC1CC(C2CCCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259170	0	49	-1.0	-44.21	368.19	8.04	-36.17
CC1CC(C2CCCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259170	1	49	-1.0	-44.24	368.25	8.06	-36.18
CC1CC(C2CCCCC2)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259171	0	56	-1.0	-42.26	427.87	11.05	-31.21
CC1CC(C2CCCCC2)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259171	1	56	-1.0	-42.28	427.88	11.03	-31.25
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020259172	0	43	-1.0	-46.32	374.56	10.28	-36.04
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020259172	1	43	-1.0	-46.32	374.50	10.26	-36.06
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020259173	0	40	-1.0	-48.53	354.05	9.53	-39.00
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020259173	1	40	-1.0	-48.52	353.99	9.50	-39.02
CC1N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCC1(F)F	REAL300020259174	0	40	-1.0	-44.22	332.84	7.40	-36.82
CC1N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCC1(F)F	REAL300020259174	1	40	-1.0	-44.17	332.87	7.39	-36.78
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@@]1(C)CNC(=O)OC(C)(C)C	REAL300020259175	0	56	-1.0	-46.88	431.59	5.39	-41.49
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@]1(C)CNC(=O)OC(C)(C)C	REAL300020259175	1	56	-1.0	-46.88	431.64	5.41	-41.47
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020259176	0	43	-1.0	-42.79	368.28	9.43	-33.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020259176	1	43	-1.0	-42.78	368.34	9.45	-33.33
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020259177	0	40	-1.0	-43.81	347.52	8.40	-35.41
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020259177	1	40	-1.0	-43.81	347.57	8.43	-35.38
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259178	0	46	-1.0	-41.14	385.33	8.92	-32.22
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259178	1	46	-1.0	-41.16	385.39	8.93	-32.23
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259179	0	43	-1.0	-43.31	360.34	8.44	-34.87
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259179	1	43	-1.0	-43.31	360.29	8.41	-34.90
C=CCN(CCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259180	0	50	-1.0	-45.23	409.16	10.57	-34.66
C=CCN(CCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259180	1	50	-1.0	-45.18	409.18	10.56	-34.62
CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CCC1=CC=NC=C1	REAL300020259181	0	51	-1.0	-46.06	425.13	9.34	-36.72
CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CCC1=CC=NC=C1	REAL300020259181	1	51	-1.0	-46.07	425.18	9.36	-36.71
CN1N=C(NC2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1C1=CC=C(F)C=C1	REAL300020259182	0	43	-1.0	-44.85	366.04	9.58	-35.27
CN1N=C(NC2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1C1=CC=C(F)C=C1	REAL300020259182	1	43	-1.0	-44.84	365.99	9.57	-35.27
CN1N=C(NC2=NN=C(CC3=NN=N[N-]3)N2C)C=C1C1=CC=C(F)C=C1	REAL300020259183	0	40	-1.0	-46.83	345.54	8.83	-38.00
CN1N=C(NC2=NN=C(CC3=N[N-]N=N3)N2C)C=C1C1=CC=C(F)C=C1	REAL300020259183	1	40	-1.0	-46.85	345.48	8.81	-38.04
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020259184	0	51	-1.0	-40.92	356.33	6.39	-34.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020259184	1	51	-1.0	-40.93	356.39	6.40	-34.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020259185	0	48	-1.0	-40.65	352.43	7.82	-32.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020259185	1	48	-1.0	-40.68	352.49	7.84	-32.84
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCCCC1	REAL300020259186	0	55	-1.0	-41.46	406.42	11.15	-30.31
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCCCC1	REAL300020259186	1	55	-1.0	-41.48	406.65	11.12	-30.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020259187	0	43	-1.0	-40.38	337.70	7.11	-33.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020259187	1	43	-1.0	-40.38	337.76	7.12	-33.26
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020259188	0	47	-1.0	-43.48	363.66	9.27	-34.21
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020259188	1	47	-1.0	-43.50	363.69	9.26	-34.24
CCC1COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259189	0	43	-1.0	-39.91	337.51	5.41	-34.50
CCC1COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259189	1	43	-1.0	-39.90	337.57	5.42	-34.48
CCC1COCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259190	0	47	-1.0	-42.20	369.38	7.49	-34.71
CCC1COCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259190	1	47	-1.0	-42.19	369.42	7.48	-34.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020259191	0	52	-1.0	-41.51	371.42	9.93	-31.58
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020259191	1	52	-1.0	-41.50	371.48	9.94	-31.56
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020259192	0	49	-1.0	-45.34	349.93	9.14	-36.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020259192	1	49	-1.0	-45.33	349.98	9.17	-36.16
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020259193	0	56	-1.0	-42.44	400.59	11.06	-31.38
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020259193	1	56	-1.0	-42.44	400.64	11.06	-31.38
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020259194	0	48	-1.0	-54.21	369.17	4.59	-49.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020259194	1	48	-1.0	-54.24	369.22	4.61	-49.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020259195	0	45	-1.0	-55.08	350.28	4.04	-51.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020259195	1	45	-1.0	-55.09	350.33	4.06	-51.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCNS(=O)(=O)CC1	REAL300020259196	0	53	-1.0	-42.75	403.71	2.14	-40.61
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCNS(=O)(=O)CC1	REAL300020259196	1	53	-1.0	-42.76	403.77	2.15	-40.61
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCNS(=O)(=O)CC1	REAL300020259197	0	50	-1.0	-48.99	382.57	3.39	-45.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCNS(=O)(=O)CC1	REAL300020259197	1	50	-1.0	-48.98	382.63	3.42	-45.56
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020259198	0	44	-1.0	-43.27	354.11	6.69	-36.58
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020259198	1	44	-1.0	-43.22	354.15	6.68	-36.54
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020259199	0	43	-1.0	-43.59	359.51	9.04	-34.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020259199	1	43	-1.0	-43.60	359.56	9.06	-34.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020259200	0	40	-1.0	-44.65	338.71	8.02	-36.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020259200	1	40	-1.0	-44.66	338.77	8.04	-36.62
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020259201	0	47	-1.0	-40.95	352.59	8.55	-32.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020259201	1	47	-1.0	-40.95	352.65	8.56	-32.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020259202	0	44	-1.0	-44.54	332.09	7.82	-36.72
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020259202	1	44	-1.0	-44.53	332.03	7.79	-36.74
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020259203	0	51	-1.0	-43.22	384.45	10.66	-32.56
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020259203	1	51	-1.0	-43.18	384.49	10.65	-32.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NOC(C3=CC=CC=C3)=N2)C1	REAL300020259204	0	46	-1.0	-50.23	389.81	4.49	-45.74
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NOC(C3=CC=CC=C3)=N2)C1	REAL300020259204	1	46	-1.0	-50.22	389.75	4.47	-45.75
CC(C)CCC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=N1	REAL300020259205	0	53	-1.0	-42.46	414.72	7.63	-34.83
CC(C)CCC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=N1	REAL300020259205	1	53	-1.0	-42.48	414.78	7.65	-34.83
CC(C)CCC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=N1	REAL300020259206	0	50	-1.0	-44.52	398.14	7.46	-37.06
CC(C)CCC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=N1	REAL300020259206	1	50	-1.0	-44.52	398.20	7.49	-37.03
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259207	0	50	-1.0	-42.03	405.59	8.43	-33.60
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259207	1	50	-1.0	-42.06	405.65	8.44	-33.62
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259208	0	47	-1.0	-43.27	384.09	7.64	-35.63
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259208	1	47	-1.0	-43.32	384.15	7.67	-35.65
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020259209	0	44	-1.0	-47.50	362.79	1.48	-46.02
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020259209	1	44	-1.0	-47.50	362.85	1.49	-46.01
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020259210	0	41	-1.0	-48.94	342.33	0.72	-48.22
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020259210	1	41	-1.0	-48.92	342.39	0.75	-48.17
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259211	0	42	-1.0	-43.53	351.85	8.08	-35.45
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259211	1	42	-1.0	-43.53	351.91	8.10	-35.43
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259212	0	39	-1.0	-43.54	337.12	7.07	-36.47
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259212	1	39	-1.0	-43.58	337.17	7.10	-36.48
CN(CCC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259213	0	46	-1.0	-44.42	389.77	9.92	-34.50
CN(CCC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259213	1	46	-1.0	-44.44	389.81	9.91	-34.53
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020259214	0	45	-1.0	-44.18	359.84	0.11	-44.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020259214	1	45	-1.0	-44.20	359.89	0.13	-44.07
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020259215	0	42	-1.0	-45.28	338.32	-0.67	-45.95
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020259215	1	42	-1.0	-45.26	338.38	-0.65	-45.91
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020259216	0	49	-1.0	-47.28	386.36	2.17	-45.11
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020259216	1	49	-1.0	-47.32	386.40	2.16	-45.16
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Br)C=C(F)C=C2C1	REAL300020259217	0	37	-1.0	-44.34	325.33	6.14	-38.20
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Br)C=C(F)C=C2C1	REAL300020259217	1	37	-1.0	-44.36	325.39	6.17	-38.19
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2Cl)C1	REAL300020259218	0	47	-1.0	-42.08	393.60	7.97	-34.11
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2Cl)C1	REAL300020259218	1	47	-1.0	-42.10	393.65	7.99	-34.11
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2Cl)C1	REAL300020259219	0	44	-1.0	-47.68	365.75	7.61	-40.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2Cl)C1	REAL300020259219	1	44	-1.0	-47.67	365.81	7.64	-40.03
C[C@@H]1CSCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259220	0	41	-1.0	-42.20	342.52	6.81	-35.39
C[C@@H]1CSCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259220	1	41	-1.0	-42.15	342.56	6.79	-35.36
COC(=O)[C@H]1C[C@@H](C(C)(C)C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259221	0	54	-1.0	-42.41	411.41	8.12	-34.29
COC(=O)[C@H]1C[C@@H](C(C)(C)C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259221	1	54	-1.0	-42.45	411.47	8.13	-34.32
COC(=O)[C@H]1C[C@@H](C(C)(C)C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259222	0	51	-1.0	-43.98	396.06	7.27	-36.71
COC(=O)[C@H]1C[C@@H](C(C)(C)C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259222	1	51	-1.0	-43.93	396.12	7.29	-36.64
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259223	0	47	-1.0	-48.40	381.36	7.77	-40.63
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259223	1	47	-1.0	-48.41	381.41	7.78	-40.63
C=CCCC1(C#N)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259224	0	44	-1.0	-51.06	359.84	6.99	-44.07
C=CCCC1(C#N)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259224	1	44	-1.0	-51.03	359.90	7.01	-44.02
C=CCCC1(C#N)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020259225	0	51	-1.0	-50.91	406.11	9.90	-41.01
C=CCCC1(C#N)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020259225	1	51	-1.0	-50.93	406.13	9.89	-41.04
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259226	0	46	-1.0	-41.66	378.01	9.13	-32.53
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259226	1	46	-1.0	-41.65	378.07	9.14	-32.51
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259227	0	43	-1.0	-43.27	358.33	8.43	-34.84
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259227	1	43	-1.0	-43.29	358.29	8.41	-34.88
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259228	0	50	-1.0	-42.14	414.82	10.61	-31.53
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259228	1	50	-1.0	-42.16	414.86	10.60	-31.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020259229	0	49	-1.0	-41.19	351.78	8.93	-32.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020259229	1	49	-1.0	-41.14	351.84	8.95	-32.19
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020259230	0	46	-1.0	-44.58	331.38	8.18	-36.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020259230	1	46	-1.0	-44.56	331.44	8.21	-36.35
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020259231	0	53	-1.0	-41.76	390.84	11.05	-30.71
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020259231	1	53	-1.0	-41.70	390.97	11.02	-30.68
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C)N(C(=O)OC(C)(C)C)C1	REAL300020259232	0	56	-1.0	-45.83	424.82	7.04	-38.79
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C)N(C(=O)OC(C)(C)C)C1	REAL300020259232	1	56	-1.0	-45.82	424.87	7.06	-38.76
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259233	0	43	-1.0	-41.69	363.00	8.53	-33.16
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259233	1	43	-1.0	-41.74	363.05	8.54	-33.20
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259234	0	40	-1.0	-42.36	343.33	7.83	-34.53
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259234	1	40	-1.0	-42.34	343.27	7.80	-34.54
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259235	0	47	-1.0	-42.42	399.83	9.99	-32.43
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259235	1	47	-1.0	-42.35	399.86	9.98	-32.37
CN(CC1=NC2=C(C=NN2C)C(=O)N1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259236	0	44	-1.0	-45.73	370.29	4.92	-40.81
CN(CC1=NC2=C(C=NN2C)C(=O)N1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259236	1	44	-1.0	-45.73	370.35	4.93	-40.80
CN(CC1=NC2=C(C=NN2C)C(=O)N1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259237	0	41	-1.0	-47.46	349.75	4.17	-43.29
CN(CC1=NC2=C(C=NN2C)C(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259237	1	41	-1.0	-47.43	349.81	4.19	-43.24
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC(C)(C)C)C2(CCC2)C1	REAL300020259238	0	55	-1.0	-44.69	428.07	8.87	-35.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC(C)(C)C)C2(CCC2)C1	REAL300020259238	1	55	-1.0	-44.72	428.13	8.89	-35.83
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC(C)(C)C)C2(CCC2)C1	REAL300020259239	0	52	-1.0	-47.28	406.57	8.09	-39.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC(C)(C)C)C2(CCC2)C1	REAL300020259239	1	52	-1.0	-47.26	406.63	8.11	-39.15
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020259240	0	41	-1.0	-44.18	325.89	3.55	-40.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020259240	1	41	-1.0	-44.18	325.94	3.56	-40.62
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020259241	0	38	-1.0	-47.40	304.39	2.76	-44.64
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020259241	1	38	-1.0	-47.41	304.45	2.79	-44.62
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020259242	0	45	-1.0	-46.87	366.99	6.14	-40.73
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020259242	1	45	-1.0	-46.83	367.02	6.13	-40.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020259243	0	46	-1.0	-40.60	338.72	7.26	-33.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020259243	1	46	-1.0	-40.60	338.78	7.27	-33.33
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020259244	0	43	-1.0	-43.76	318.80	6.44	-37.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020259244	1	43	-1.0	-43.78	318.86	6.46	-37.32
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCCCC2C1	REAL300020259245	0	50	-1.0	-42.83	371.43	9.38	-33.45
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCCCC2C1	REAL300020259245	1	50	-1.0	-42.81	371.46	9.38	-33.43
COC(=O)CCC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020259246	0	52	-1.0	-43.66	429.85	9.60	-34.06
COC(=O)CCC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020259246	1	52	-1.0	-43.69	429.90	9.62	-34.07
COC(=O)CCC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020259247	0	49	-1.0	-46.19	407.97	8.97	-37.22
COC(=O)CCC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020259247	1	49	-1.0	-46.25	408.03	8.99	-37.26
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020259248	0	41	-1.0	-52.65	344.44	0.66	-51.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020259248	1	41	-1.0	-52.67	344.49	0.68	-51.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020259249	0	38	-1.0	-55.09	324.30	-0.22	-55.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020259249	1	38	-1.0	-55.11	324.36	-0.20	-55.31
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020259250	0	45	-1.0	-54.73	376.51	2.74	-51.99
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020259250	1	45	-1.0	-54.74	376.55	2.73	-52.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C2=CC=CC=C2)CC1	REAL300020259251	0	50	-1.0	-46.82	403.33	9.77	-37.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C2=CC=CC=C2)CC1	REAL300020259251	1	50	-1.0	-46.82	403.39	9.78	-37.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C2=CC=CC=C2)CC1	REAL300020259252	0	47	-1.0	-48.69	381.81	8.98	-39.71
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C2=CC=CC=C2)CC1	REAL300020259252	1	47	-1.0	-48.69	381.87	9.01	-39.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020259253	0	39	-1.0	-41.65	330.21	6.46	-35.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020259253	1	39	-1.0	-41.68	330.27	6.48	-35.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020259254	0	36	-1.0	-43.42	308.60	5.68	-37.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020259254	1	36	-1.0	-43.42	308.66	5.70	-37.72
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020259255	0	43	-1.0	-43.97	363.26	8.46	-35.51
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020259255	1	43	-1.0	-43.93	363.29	8.45	-35.48
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020259256	0	39	-1.0	-41.98	339.62	6.18	-35.80
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020259256	1	39	-1.0	-41.97	339.68	6.20	-35.77
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020259257	0	36	-1.0	-44.14	317.06	5.37	-38.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020259257	1	36	-1.0	-44.19	317.11	5.40	-38.79
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020259258	0	38	-1.0	-44.89	319.29	5.54	-39.35
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020259258	1	38	-1.0	-44.87	319.35	5.56	-39.31
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020259259	0	35	-1.0	-47.20	297.85	4.77	-42.43
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020259259	1	35	-1.0	-47.18	297.79	4.75	-42.43
CN1C(NC2=NN3CCOCC3=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020259260	0	42	-1.0	-47.37	351.10	7.65	-39.72
CN1C(NC2=NN3CCOCC3=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020259260	1	42	-1.0	-47.34	351.13	7.64	-39.70
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020259261	0	42	-1.0	-42.82	350.43	3.36	-39.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020259261	1	42	-1.0	-42.81	350.49	3.37	-39.44
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020259262	0	39	-1.0	-46.75	327.93	2.57	-44.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020259262	1	39	-1.0	-46.74	327.87	2.54	-44.20
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020259263	0	46	-1.0	-46.41	378.93	5.70	-40.71
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020259263	1	46	-1.0	-46.40	378.98	5.69	-40.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020259264	0	49	-1.0	-45.16	388.35	0.62	-44.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020259264	1	49	-1.0	-45.18	388.41	0.64	-44.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020259264	1	50	0.0	-68.80	389.83	3.01	-65.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020259265	0	46	-1.0	-47.46	366.86	-0.16	-47.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020259265	1	46	-1.0	-47.50	366.92	-0.14	-47.64
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020259265	1	47	0.0	-68.57	369.41	2.26	-66.31
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020259266	0	53	-1.0	-46.78	422.52	2.78	-44.00
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020259266	1	53	-1.0	-46.78	422.58	2.75	-44.03
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020259266	1	54	0.0	-75.00	421.75	5.10	-69.90
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020259267	0	43	-1.0	-43.19	331.76	3.22	-39.97
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020259267	1	43	-1.0	-43.20	331.82	3.23	-39.97
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020259268	0	47	-1.0	-45.45	362.63	5.30	-40.15
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020259268	1	47	-1.0	-45.47	362.66	5.30	-40.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020259269	0	56	0.0	-63.42	428.16	10.13	-53.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020259269	1	56	0.0	-64.62	423.23	10.27	-54.35
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020259269	1	56	0.0	-63.47	428.21	10.15	-53.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020259269	1	56	0.0	-64.62	423.29	10.29	-54.33
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020259270	0	47	-1.0	-48.95	356.08	7.19	-41.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020259270	1	47	-1.0	-48.95	356.14	7.20	-41.75
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020259271	0	44	-1.0	-41.32	337.00	6.35	-34.97
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020259271	1	44	-1.0	-41.33	337.06	6.38	-34.95
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020259272	0	51	-1.0	-44.03	389.55	9.20	-34.83
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020259272	1	51	-1.0	-43.98	389.55	9.20	-34.78
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259273	0	43	-1.0	-46.23	341.58	2.67	-43.56
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259273	1	43	-1.0	-46.25	341.64	2.68	-43.57
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259274	0	40	-1.0	-49.87	324.31	1.42	-48.45
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259274	1	40	-1.0	-49.91	324.25	1.39	-48.52
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259275	0	47	-1.0	-47.80	374.82	4.37	-43.43
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259275	1	47	-1.0	-47.77	374.87	4.36	-43.41
CC(C)C1=CC=C(C(=O)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020259276	0	54	-1.0	-44.32	425.14	9.99	-34.33
CC(C)C1=CC=C(C(=O)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020259276	1	54	-1.0	-44.33	425.20	10.01	-34.32
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020259277	0	46	-1.0	-42.15	381.63	8.88	-33.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020259277	1	46	-1.0	-42.13	381.69	8.89	-33.24
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020259278	0	43	-1.0	-42.61	362.26	8.03	-34.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020259278	1	43	-1.0	-42.63	362.32	8.05	-34.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2Cl)CC1	REAL300020259279	0	42	-1.0	-46.16	369.16	7.04	-39.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2Cl)CC1	REAL300020259279	1	42	-1.0	-46.19	369.21	7.06	-39.13
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259280	0	44	-1.0	-44.02	353.67	6.54	-37.48
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259280	1	44	-1.0	-44.00	353.71	6.52	-37.48
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259281	0	42	-1.0	-44.19	347.62	8.03	-36.16
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259281	1	42	-1.0	-44.14	347.65	8.02	-36.12
CC1=CC=C(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCO2)S1	REAL300020259282	0	44	-1.0	-42.39	377.64	6.77	-35.62
CC1=CC=C(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCO2)S1	REAL300020259282	1	44	-1.0	-42.37	377.70	6.78	-35.59
CC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCO2)S1	REAL300020259283	0	41	-1.0	-45.79	350.43	5.94	-39.85
CC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCO2)S1	REAL300020259283	1	41	-1.0	-45.83	350.48	5.97	-39.86
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259284	0	42	-1.0	-42.74	364.12	7.86	-34.88
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259284	1	42	-1.0	-42.75	364.18	7.87	-34.88
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259285	0	39	-1.0	-44.47	342.58	7.12	-37.35
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259285	1	39	-1.0	-44.42	342.63	7.14	-37.28
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259286	0	46	-1.0	-46.44	390.56	10.08	-36.36
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259286	1	46	-1.0	-46.39	390.60	10.06	-36.33
CNC(=O)C1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259287	0	46	-1.0	-42.87	367.12	4.18	-38.69
CNC(=O)C1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259287	1	46	-1.0	-42.88	367.17	4.20	-38.68
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259288	0	43	-1.0	-42.94	346.14	3.62	-39.32
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259288	1	43	-1.0	-42.96	346.20	3.63	-39.33
CNC(=O)C1CC(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259289	0	50	-1.0	-48.89	397.65	6.35	-42.54
CNC(=O)C1CC(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259289	1	50	-1.0	-48.85	397.71	6.34	-42.51
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCN1S(C)(=O)=O	REAL300020259290	0	44	-1.0	-49.49	359.04	2.34	-47.15
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCN1S(C)(=O)=O	REAL300020259290	1	44	-1.0	-49.52	359.09	2.36	-47.16
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCN1S(C)(=O)=O	REAL300020259291	0	41	-1.0	-51.44	336.71	1.53	-49.91
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCN1S(C)(=O)=O	REAL300020259291	1	41	-1.0	-51.43	336.76	1.55	-49.88
CN(CC1=NC=C(Cl)C=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259292	0	38	-1.0	-41.16	343.02	6.01	-35.15
CN(CC1=NC=C(Cl)C=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259292	1	38	-1.0	-41.17	343.07	6.03	-35.14
CN(CC1=NC=C(Cl)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259293	0	35	-1.0	-44.49	322.47	5.27	-39.22
CN(CC1=NC=C(Cl)C=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259293	1	35	-1.0	-44.50	322.53	5.29	-39.21
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259294	0	43	-1.0	-40.26	358.70	8.80	-31.46
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259294	1	43	-1.0	-40.27	358.76	8.82	-31.45
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259295	0	40	-1.0	-43.20	338.21	8.07	-35.13
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259295	1	40	-1.0	-43.17	338.15	8.04	-35.13
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259296	0	47	-1.0	-43.07	399.88	9.83	-33.24
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259296	1	47	-1.0	-43.03	399.91	9.83	-33.20
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020259297	0	47	-1.0	-41.61	365.54	2.35	-39.26
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020259297	1	47	-1.0	-41.67	365.60	2.37	-39.30
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020259298	0	44	-1.0	-43.37	344.01	1.56	-41.81
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020259298	1	44	-1.0	-43.37	344.07	1.58	-41.79
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020259299	0	51	-1.0	-45.37	400.54	4.97	-40.40
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020259299	1	51	-1.0	-45.39	400.57	4.95	-40.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020259300	0	48	0.0	-64.07	378.43	6.07	-58.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020259300	1	48	0.0	-64.04	378.37	6.06	-57.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020259301	0	45	0.0	-62.72	356.93	5.29	-57.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020259301	1	45	0.0	-62.68	356.87	5.26	-57.42
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020259302	0	43	-1.0	-40.50	350.10	7.46	-33.04
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020259302	1	43	-1.0	-40.46	350.15	7.47	-32.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020259303	0	40	-1.0	-43.99	319.57	6.95	-37.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020259303	1	40	-1.0	-44.02	319.63	6.97	-37.05
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020259304	0	47	-1.0	-44.30	375.26	9.73	-34.57
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020259304	1	47	-1.0	-44.30	375.25	9.72	-34.58
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020259305	0	47	-1.0	-43.24	382.16	6.05	-37.19
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020259305	1	47	-1.0	-43.26	382.22	6.06	-37.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020259306	0	44	-1.0	-44.33	361.22	5.06	-39.27
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020259306	1	44	-1.0	-44.31	361.27	5.09	-39.22
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020259307	0	49	-1.0	-42.29	365.11	4.30	-37.99
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020259307	1	49	-1.0	-42.28	365.16	4.31	-37.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020259308	0	46	-1.0	-45.37	344.72	3.54	-41.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020259308	1	46	-1.0	-45.34	344.78	3.56	-41.78
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020259309	0	53	-1.0	-43.27	403.85	6.19	-37.08
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020259309	1	53	-1.0	-43.25	403.92	6.17	-37.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020259310	0	50	-1.0	-42.45	400.78	6.38	-36.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020259310	1	50	-1.0	-42.46	400.83	6.40	-36.06
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020259311	0	47	-1.0	-44.48	373.65	5.73	-38.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020259311	1	47	-1.0	-44.48	373.71	5.75	-38.73
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020259312	0	42	-1.0	-45.24	341.65	2.04	-43.20
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020259312	1	42	-1.0	-45.23	341.71	2.05	-43.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020259313	0	39	-1.0	-47.47	320.16	1.25	-46.22
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020259313	1	39	-1.0	-47.48	320.22	1.28	-46.20
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020259314	0	46	-1.0	-47.45	372.47	4.14	-43.31
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020259314	1	46	-1.0	-47.43	372.50	4.13	-43.30
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CCC4=N[N-]N=N4)N2C)C3)C=C1	REAL300020259315	0	47	-1.0	-42.09	379.88	9.56	-32.53
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CCC4=NN=N[N-]4)N2C)C3)C=C1	REAL300020259315	1	47	-1.0	-42.06	379.93	9.57	-32.49
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CC4=N[N-]N=N4)N2C)C3)C=C1	REAL300020259316	0	44	-1.0	-42.83	363.19	8.72	-34.11
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CC4=NN=N[N-]4)N2C)C3)C=C1	REAL300020259316	1	44	-1.0	-42.87	363.24	8.74	-34.13
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N2C)C3)C=C1	REAL300020259317	0	51	-1.0	-43.87	405.12	11.08	-32.79
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N2C)C3)C=C1	REAL300020259317	1	51	-1.0	-43.89	405.16	11.07	-32.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020259318	0	46	-1.0	-42.23	381.51	9.00	-33.23
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020259318	1	46	-1.0	-42.22	381.57	9.01	-33.21
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020259319	0	43	-1.0	-44.98	353.91	8.24	-36.74
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020259319	1	43	-1.0	-45.03	353.97	8.26	-36.77
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC(C)(C)C)C1	REAL300020259320	0	52	-1.0	-44.24	411.37	6.88	-37.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC(C)(C)C)C1	REAL300020259320	1	52	-1.0	-44.25	411.43	6.90	-37.35
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC(C)(C)C)C1	REAL300020259321	0	49	-1.0	-45.19	389.87	6.10	-39.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC(C)(C)C)C1	REAL300020259321	1	49	-1.0	-45.19	389.93	6.12	-39.07
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NC(=O)CC(F)(F)F)C1	REAL300020259322	0	46	-1.0	-47.30	384.54	5.08	-42.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NC(=O)CC(F)(F)F)C1	REAL300020259322	1	46	-1.0	-47.27	384.60	5.09	-42.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NC(=O)CC(F)(F)F)C1	REAL300020259323	0	43	-1.0	-49.46	369.14	4.24	-45.22
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NC(=O)CC(F)(F)F)C1	REAL300020259323	1	43	-1.0	-49.40	369.19	4.26	-45.14
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020259324	0	37	-1.0	-41.69	312.02	6.20	-35.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020259324	1	37	-1.0	-41.73	312.08	6.22	-35.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020259325	0	41	-1.0	-44.93	345.79	8.11	-36.82
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020259325	1	41	-1.0	-44.84	345.83	8.09	-36.75
COC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020259326	0	41	-1.0	-40.42	328.88	5.01	-35.41
COC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020259326	1	41	-1.0	-40.43	328.94	5.03	-35.40
COC12CC(C1)CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020259327	0	45	-1.0	-43.50	357.66	7.25	-36.25
COC12CC(C1)CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020259327	1	45	-1.0	-43.45	357.69	7.25	-36.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1	REAL300020259328	0	50	-1.0	-50.27	394.20	6.87	-43.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1	REAL300020259328	1	50	-1.0	-50.26	394.26	6.89	-43.37
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020259329	0	45	-1.0	-52.36	354.05	3.03	-49.33
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020259329	1	45	-1.0	-52.39	354.11	3.05	-49.34
CC1NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020259330	0	42	-1.0	-53.57	332.56	2.25	-51.32
CC1NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020259330	1	42	-1.0	-53.56	332.62	2.27	-51.29
CC1NC(=O)OC12CCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)CC2	REAL300020259331	0	49	-1.0	-55.00	384.87	5.11	-49.89
CC1NC(=O)OC12CCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)CC2	REAL300020259331	1	49	-1.0	-55.00	384.90	5.10	-49.90
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020259332	0	49	-1.0	-40.67	354.94	7.85	-32.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020259332	1	49	-1.0	-40.66	355.00	7.87	-32.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020259333	0	46	-1.0	-42.83	334.43	7.07	-35.76
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020259333	1	46	-1.0	-42.84	334.48	7.10	-35.74
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCCCCC2C1	REAL300020259334	0	53	-1.0	-42.51	386.90	9.93	-32.58
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCCCCC2C1	REAL300020259334	1	53	-1.0	-42.53	386.95	9.92	-32.61
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020259335	0	44	-1.0	-41.41	344.31	7.04	-34.37
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020259335	1	44	-1.0	-41.42	344.36	7.06	-34.36
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020259336	0	41	-1.0	-44.17	317.20	5.78	-38.39
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020259336	1	41	-1.0	-44.18	317.25	5.81	-38.37
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020259337	0	48	-1.0	-43.90	376.16	9.14	-34.76
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020259337	1	48	-1.0	-43.91	376.18	9.14	-34.77
CCCCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259338	0	54	-1.0	-40.85	412.07	9.85	-31.00
CCCCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259338	1	54	-1.0	-40.85	412.13	9.86	-30.99
CCCCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259339	0	51	-1.0	-43.96	391.68	9.09	-34.87
CCCCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259339	1	51	-1.0	-43.99	391.74	9.11	-34.88
CCCCCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259340	0	58	-1.0	-43.30	440.48	11.39	-31.91
CCCCCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259340	1	58	-1.0	-43.31	440.51	11.38	-31.93
CCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259341	0	48	-1.0	-40.84	369.08	8.28	-32.56
CCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259341	1	48	-1.0	-40.86	369.13	8.30	-32.56
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259342	0	45	-1.0	-44.03	348.69	7.53	-36.50
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259342	1	45	-1.0	-44.06	348.74	7.55	-36.51
CCCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259343	0	52	-1.0	-43.29	397.48	9.83	-33.46
CCCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259343	1	52	-1.0	-43.31	397.51	9.82	-33.49
COC(=O)C(C)(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259344	0	51	-1.0	-43.94	387.55	7.51	-36.43
COC(=O)C(C)(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259344	1	51	-1.0	-44.01	387.60	7.53	-36.48
COC(=O)C(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259345	0	48	-1.0	-48.34	367.15	6.75	-41.59
COC(=O)C(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259345	1	48	-1.0	-48.35	367.21	6.78	-41.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC1=CC=CC=C12	REAL300020259346	0	49	-1.0	-50.69	397.12	6.15	-44.54
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC1=CC=CC=C12	REAL300020259346	1	49	-1.0	-50.70	397.17	6.16	-44.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC1=CC=CC=C12	REAL300020259347	0	46	-1.0	-54.34	375.62	5.36	-48.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC1=CC=CC=C12	REAL300020259347	1	46	-1.0	-54.36	375.68	5.39	-48.97
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020259348	0	49	-1.0	-48.24	380.87	6.33	-41.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020259348	1	49	-1.0	-48.26	380.92	6.34	-41.92
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020259349	0	46	-1.0	-51.76	360.45	5.57	-46.19
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020259349	1	46	-1.0	-51.77	360.51	5.59	-46.18
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020259350	0	45	-1.0	-42.03	351.10	6.29	-35.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020259350	1	45	-1.0	-42.03	351.16	6.30	-35.73
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020259351	0	42	-1.0	-42.30	335.60	5.47	-36.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020259351	1	42	-1.0	-42.29	335.65	5.49	-36.80
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020259352	0	49	-1.0	-44.02	382.04	8.37	-35.65
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020259352	1	49	-1.0	-44.04	382.09	8.37	-35.67
COC(=O)C1CCCC1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259353	0	55	-1.0	-43.44	419.81	9.07	-34.37
COC(=O)C1CCCC1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259353	1	55	-1.0	-43.45	419.87	9.08	-34.37
COC(=O)C1CCCC1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259354	0	52	-1.0	-44.88	398.31	8.27	-36.61
COC(=O)C1CCCC1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259354	1	52	-1.0	-44.86	398.37	8.30	-36.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020259355	0	48	-1.0	-43.51	381.61	2.08	-41.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020259355	1	48	-1.0	-43.50	381.66	2.10	-41.40
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020259356	0	45	-1.0	-46.76	359.05	1.28	-45.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020259356	1	45	-1.0	-46.73	359.10	1.30	-45.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020259357	0	44	-1.0	-42.98	357.24	6.08	-36.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020259357	1	44	-1.0	-42.97	357.29	6.10	-36.87
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020259358	0	41	-1.0	-44.40	329.59	4.81	-39.59
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020259358	1	41	-1.0	-44.40	329.64	4.83	-39.57
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020259359	0	48	-1.0	-45.11	389.06	8.19	-36.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020259359	1	48	-1.0	-45.15	388.84	8.18	-36.97
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020259360	0	46	-1.0	-45.96	388.41	6.86	-39.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020259360	1	46	-1.0	-45.95	388.47	6.87	-39.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020259361	0	43	-1.0	-48.09	366.91	6.07	-42.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020259361	1	43	-1.0	-48.07	366.97	6.10	-41.97
COC(=O)CC1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2C1	REAL300020259362	0	55	-1.0	-44.71	413.83	8.85	-35.86
COC(=O)CC1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2C1	REAL300020259362	1	55	-1.0	-44.74	413.89	8.87	-35.87
COC(=O)CC1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2C1	REAL300020259363	0	52	-1.0	-47.35	398.48	8.03	-39.32
COC(=O)CC1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2C1	REAL300020259363	1	52	-1.0	-47.38	398.54	8.05	-39.33
CCC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259364	0	43	-1.0	-45.17	348.05	8.06	-37.11
CCC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259364	1	43	-1.0	-45.17	348.07	8.05	-37.12
CCOC1(OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259365	0	50	-1.0	-41.61	385.21	6.30	-35.31
CCOC1(OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259365	1	50	-1.0	-41.62	385.27	6.31	-35.31
CCOC1(OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259366	0	47	-1.0	-43.56	362.63	5.48	-38.08
CCOC1(OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259366	1	47	-1.0	-43.54	362.68	5.50	-38.04
CCOC1(OCC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020259367	0	54	-1.0	-43.91	415.66	8.36	-35.55
CCOC1(OCC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020259367	1	54	-1.0	-43.90	415.68	8.35	-35.55
COC(=O)C1(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)CCC1	REAL300020259368	0	50	-1.0	-43.57	397.71	7.34	-36.23
COC(=O)C1(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)CCC1	REAL300020259368	1	50	-1.0	-43.57	397.77	7.35	-36.22
COC(=O)C1(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CCC1	REAL300020259369	0	47	-1.0	-44.86	376.22	6.55	-38.31
COC(=O)C1(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CCC1	REAL300020259369	1	47	-1.0	-44.85	376.27	6.57	-38.28
COC(=O)C1(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)CCC1	REAL300020259370	0	52	-1.0	-43.95	396.29	8.24	-35.71
COC(=O)C1(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)CCC1	REAL300020259370	1	52	-1.0	-43.94	396.35	8.26	-35.68
COC(=O)C1(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)CCC1	REAL300020259371	0	49	-1.0	-45.11	376.66	7.59	-37.52
COC(=O)C1(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)CCC1	REAL300020259371	1	49	-1.0	-45.15	376.72	7.61	-37.54
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020259372	0	37	-1.0	-41.71	303.88	5.82	-35.89
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020259372	1	37	-1.0	-41.74	303.94	5.83	-35.91
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020259373	0	41	-1.0	-43.01	336.74	8.00	-35.01
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020259373	1	41	-1.0	-42.99	336.78	7.99	-35.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020259374	0	41	-1.0	-40.59	329.76	4.42	-36.17
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020259374	1	41	-1.0	-40.60	329.82	4.43	-36.17
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020259375	0	45	-1.0	-43.22	361.83	6.55	-36.67
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020259375	1	45	-1.0	-43.19	361.90	6.53	-36.66
COC(=O)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020259376	0	43	-1.0	-44.61	356.45	4.85	-39.76
COC(=O)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020259376	1	43	-1.0	-44.58	356.51	4.87	-39.71
COC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020259377	0	40	-1.0	-45.43	334.95	4.07	-41.36
COC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020259377	1	40	-1.0	-45.46	335.01	4.09	-41.37
COC(=O)C1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020259378	0	47	-1.0	-48.36	382.74	7.09	-41.27
COC(=O)C1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020259378	1	47	-1.0	-48.36	382.78	7.09	-41.27
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020259379	0	49	-1.0	-41.15	371.30	6.01	-35.14
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020259379	1	49	-1.0	-41.20	371.35	6.03	-35.17
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020259380	0	46	-1.0	-42.84	349.80	5.22	-37.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020259380	1	46	-1.0	-42.84	349.86	5.24	-37.60
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020259381	0	53	-1.0	-45.18	406.66	8.68	-36.50
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020259381	1	53	-1.0	-45.18	406.68	8.69	-36.49
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020259382	0	49	-1.0	-41.62	378.95	6.28	-35.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020259382	1	49	-1.0	-41.61	379.01	6.29	-35.32
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020259383	0	46	-1.0	-45.05	357.47	5.48	-39.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020259383	1	46	-1.0	-45.09	357.53	5.51	-39.58
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020259384	0	53	-1.0	-45.17	404.24	8.62	-36.55
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020259384	1	53	-1.0	-45.13	404.28	8.62	-36.51
COC(=O)C(C)(C)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259385	0	49	-1.0	-42.66	380.53	7.15	-35.51
COC(=O)C(C)(C)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259385	1	49	-1.0	-42.66	380.58	7.16	-35.50
COC(=O)C(C)(C)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259386	0	46	-1.0	-49.10	364.82	6.85	-42.25
COC(=O)C(C)(C)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259386	1	46	-1.0	-49.10	364.88	6.87	-42.23
COC(=O)C12CC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020259387	0	40	-1.0	-43.34	335.58	6.04	-37.30
COC(=O)C12CC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020259387	1	40	-1.0	-43.35	335.64	6.05	-37.30
COC(=O)C12CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020259388	0	37	-1.0	-43.70	314.37	5.02	-38.68
COC(=O)C12CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020259388	1	37	-1.0	-43.73	314.42	5.05	-38.68
COC(=O)C12CC1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020259389	0	44	-1.0	-46.25	369.76	7.96	-38.29
COC(=O)C12CC1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020259389	1	44	-1.0	-46.19	369.78	7.95	-38.24
CCC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020259390	0	42	-1.0	-42.52	348.91	8.81	-33.71
CCC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020259390	1	42	-1.0	-42.47	348.96	8.83	-33.64
CCC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020259391	0	46	-1.0	-44.29	381.37	10.85	-33.44
CCC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020259391	1	46	-1.0	-44.26	381.42	10.83	-33.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(Br)=C2F)C1	REAL300020259392	0	37	-1.0	-44.56	330.59	7.49	-37.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(Br)=C2F)C1	REAL300020259392	1	37	-1.0	-44.56	330.65	7.52	-37.04
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)C1=CC=C2OCCOC2=C1	REAL300020259393	0	42	-1.0	-45.57	336.53	7.64	-37.93
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)C1=CC=C2OCCOC2=C1	REAL300020259393	1	42	-1.0	-45.60	336.59	7.66	-37.94
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)C1=CC=C2OCCOC2=C1	REAL300020259394	0	39	-1.0	-44.83	330.50	5.80	-39.03
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)C1=CC=C2OCCOC2=C1	REAL300020259394	1	39	-1.0	-44.82	330.45	5.78	-39.04
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1=CC=C2OCCOC2=C1	REAL300020259395	0	46	-1.0	-45.90	383.00	8.56	-37.34
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1=CC=C2OCCOC2=C1	REAL300020259395	1	46	-1.0	-45.85	383.05	8.55	-37.30
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259396	0	44	-1.0	-45.04	373.15	8.85	-36.19
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259396	1	44	-1.0	-45.07	373.21	8.87	-36.20
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259397	0	41	-1.0	-48.26	352.61	8.09	-40.17
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259397	1	41	-1.0	-48.23	352.67	8.12	-40.11
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259398	0	44	-1.0	-44.29	382.23	8.67	-35.62
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259398	1	44	-1.0	-44.30	382.29	8.69	-35.61
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259399	0	41	-1.0	-43.87	363.15	8.18	-35.69
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259399	1	41	-1.0	-43.88	363.21	8.21	-35.67
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020259400	0	48	-1.0	-43.83	381.30	7.77	-36.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020259400	1	48	-1.0	-43.91	381.35	7.79	-36.12
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020259401	0	45	-1.0	-47.67	359.80	6.99	-40.68
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020259401	1	45	-1.0	-47.64	359.86	7.01	-40.63
COC1=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=CC(F)=C1F	REAL300020259402	0	47	-1.0	-48.39	385.51	7.59	-40.80
COC1=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=CC(F)=C1F	REAL300020259402	1	47	-1.0	-48.38	385.56	7.62	-40.76
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020259403	0	39	-1.0	-41.16	333.53	6.50	-34.66
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020259403	1	39	-1.0	-41.20	333.58	6.52	-34.68
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020259404	0	36	-1.0	-43.43	312.03	5.72	-37.71
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020259404	1	36	-1.0	-43.43	312.09	5.74	-37.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CNC(=O)OC(C)(C)C)C1	REAL300020259405	0	56	-1.0	-47.46	430.53	6.16	-41.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CNC(=O)OC(C)(C)C)C1	REAL300020259405	1	56	-1.0	-47.49	430.59	6.19	-41.30
COCCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020259406	0	48	-1.0	-43.06	395.16	3.40	-39.66
COCCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020259406	1	48	-1.0	-43.07	395.22	3.42	-39.65
COCCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020259407	0	45	-1.0	-45.37	366.85	2.57	-42.80
COCCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020259407	1	45	-1.0	-45.39	366.91	2.60	-42.79
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259408	0	47	-1.0	-44.24	386.23	8.28	-35.96
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259408	1	47	-1.0	-44.21	386.29	8.30	-35.91
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259409	0	44	-1.0	-49.64	358.34	7.24	-42.40
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259409	1	44	-1.0	-49.65	358.40	7.26	-42.39
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259410	0	43	-1.0	-44.89	351.71	2.89	-42.00
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259410	1	43	-1.0	-44.93	351.77	2.90	-42.03
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259411	0	40	-1.0	-45.68	330.16	2.10	-43.58
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259411	1	40	-1.0	-45.73	330.21	2.13	-43.60
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259412	0	47	-1.0	-46.78	380.26	4.46	-42.32
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259412	1	47	-1.0	-46.81	380.40	4.43	-42.38
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259413	0	39	-1.0	-41.24	329.81	7.10	-34.14
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259413	1	39	-1.0	-41.28	329.87	7.11	-34.17
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259414	0	36	-1.0	-44.06	309.32	6.38	-37.68
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259414	1	36	-1.0	-44.10	309.26	6.35	-37.75
CN(CC1=CC(F)=CC=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259415	0	43	-1.0	-43.65	361.66	9.23	-34.42
CN(CC1=CC(F)=CC=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259415	1	43	-1.0	-43.68	361.69	9.22	-34.46
COC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020259416	0	44	-1.0	-41.43	360.65	6.83	-34.60
COC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020259416	1	44	-1.0	-41.43	360.71	6.85	-34.58
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=C1	REAL300020259417	0	41	-1.0	-46.92	330.23	4.89	-42.03
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=C1	REAL300020259417	1	41	-1.0	-46.91	330.17	4.87	-42.04
COC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)CCC2=C1	REAL300020259418	0	48	-1.0	-47.16	386.77	8.10	-39.06
COC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)CCC2=C1	REAL300020259418	1	48	-1.0	-47.10	386.81	8.09	-39.01
COC1=CC=C(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=C1F	REAL300020259419	0	50	-1.0	-46.39	400.82	8.32	-38.07
COC1=CC=C(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=C1F	REAL300020259419	1	50	-1.0	-46.38	400.88	8.34	-38.04
COC1=CC=C(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=C1F	REAL300020259420	0	47	-1.0	-47.59	385.94	7.29	-40.30
COC1=CC=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=C1F	REAL300020259420	1	47	-1.0	-47.64	385.99	7.32	-40.32
COC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020259421	0	43	-1.0	-42.05	351.58	6.43	-35.62
COC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020259421	1	43	-1.0	-42.04	351.64	6.44	-35.60
COC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020259422	0	40	-1.0	-44.70	331.06	5.70	-39.00
COC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020259422	1	40	-1.0	-44.70	331.00	5.68	-39.02
COC1=CC=CC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=C1	REAL300020259423	0	47	-1.0	-44.33	383.41	8.56	-35.77
COC1=CC=CC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=C1	REAL300020259423	1	47	-1.0	-44.29	383.44	8.55	-35.74
CN(CC1=CC=C(F)C(Br)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259424	0	39	-1.0	-41.66	349.08	7.78	-33.88
CN(CC1=CC=C(F)C(Br)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259424	1	39	-1.0	-41.66	349.14	7.80	-33.86
CN(CC1=CC=C(F)C(Br)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259425	0	36	-1.0	-44.95	328.52	7.04	-37.91
CN(CC1=CC=C(F)C(Br)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259425	1	36	-1.0	-44.99	328.59	7.06	-37.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020259426	0	42	-1.0	-41.54	342.23	6.81	-34.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020259426	1	42	-1.0	-41.57	342.28	6.83	-34.74
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020259427	0	39	-1.0	-44.68	320.72	6.02	-38.66
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020259427	1	39	-1.0	-44.64	320.78	6.04	-38.60
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020259428	0	46	-1.0	-43.91	372.47	8.91	-35.00
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020259428	1	46	-1.0	-43.90	372.51	8.90	-35.00
CN(C)S(=O)(=O)CC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259429	0	51	-1.0	-49.62	412.47	1.54	-48.08
CN(C)S(=O)(=O)CC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259429	1	51	-1.0	-49.64	412.52	1.55	-48.09
CN(C)S(=O)(=O)CC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259430	0	48	-1.0	-52.47	390.06	0.80	-51.67
CN(C)S(=O)(=O)CC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259430	1	48	-1.0	-52.49	390.11	0.83	-51.66
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(Cl)C=C2)CC1	REAL300020259431	0	47	-1.0	-43.97	386.97	6.48	-37.49
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(Cl)C=C2)CC1	REAL300020259431	1	47	-1.0	-43.94	387.03	6.49	-37.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(Cl)C=C2)CC1	REAL300020259432	0	44	-1.0	-46.46	365.38	5.69	-40.77
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(Cl)C=C2)CC1	REAL300020259432	1	44	-1.0	-46.49	365.44	5.72	-40.77
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259433	0	52	-1.0	-43.35	401.58	7.37	-35.98
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259433	1	52	-1.0	-43.35	401.64	7.38	-35.97
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259434	0	49	-1.0	-44.40	384.73	6.22	-38.18
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259434	1	49	-1.0	-44.40	384.79	6.24	-38.16
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259435	0	56	-1.0	-45.74	433.79	9.51	-36.23
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259435	1	56	-1.0	-45.76	433.82	9.49	-36.27
COC1=CC=CC(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=C1F	REAL300020259436	0	50	-1.0	-44.39	405.52	8.23	-36.16
COC1=CC=CC(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=C1F	REAL300020259436	1	50	-1.0	-44.37	405.57	8.24	-36.13
COC1=CC=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=C1F	REAL300020259437	0	47	-1.0	-49.82	374.35	6.95	-42.87
COC1=CC=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=C1F	REAL300020259437	1	47	-1.0	-49.84	374.41	6.98	-42.86
COC1=CC(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=CC=C1F	REAL300020259438	0	50	-1.0	-45.00	400.82	8.31	-36.69
COC1=CC(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=CC=C1F	REAL300020259438	1	50	-1.0	-45.00	400.88	8.33	-36.67
COC1=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=CC=C1F	REAL300020259439	0	47	-1.0	-45.30	385.94	7.28	-38.02
COC1=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=CC=C1F	REAL300020259439	1	47	-1.0	-45.33	385.99	7.31	-38.02
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CCC(C)(C)O)=CC=C2C1	REAL300020259440	0	56	-1.0	-41.47	444.26	7.57	-33.90
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CCC(C)(C)O)=CC=C2C1	REAL300020259440	1	56	-1.0	-41.49	444.32	7.59	-33.90
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CCC(C)(C)O)=CC=C2C1	REAL300020259441	0	53	-1.0	-44.03	422.39	6.94	-37.09
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CCC(C)(C)O)=CC=C2C1	REAL300020259441	1	53	-1.0	-44.05	422.45	6.97	-37.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020259442	0	41	-1.0	-45.89	337.66	3.48	-42.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020259442	1	41	-1.0	-45.92	337.72	3.49	-42.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020259443	0	38	-1.0	-46.83	319.33	2.81	-44.02
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020259443	1	38	-1.0	-46.84	319.28	2.79	-44.05
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020259444	0	45	-1.0	-48.39	372.38	5.66	-42.73
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020259444	1	45	-1.0	-48.40	372.43	5.64	-42.76
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)C1CC2(CC2)C1	REAL300020259445	0	44	-1.0	-43.48	358.37	8.96	-34.52
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)C1CC2(CC2)C1	REAL300020259445	1	44	-1.0	-43.45	358.39	8.93	-34.52
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[C@H]1C	REAL300020259446	0	43	-1.0	-42.33	340.49	5.18	-37.15
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[C@H]1C	REAL300020259446	1	43	-1.0	-42.33	340.55	5.20	-37.13
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC[C@H]1C	REAL300020259447	0	47	-1.0	-44.66	371.35	7.26	-37.40
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[C@H]1C	REAL300020259447	1	47	-1.0	-44.71	371.38	7.26	-37.45
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020259448	0	41	-1.0	-49.22	351.20	6.52	-42.70
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020259448	1	41	-1.0	-49.22	351.25	6.53	-42.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020259449	0	38	-1.0	-51.30	324.68	5.80	-45.50
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020259449	1	38	-1.0	-51.31	324.74	5.83	-45.48
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020259450	0	45	-1.0	-52.57	377.32	8.67	-43.90
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020259450	1	45	-1.0	-52.51	377.38	8.65	-43.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020259451	0	46	-1.0	-40.99	336.90	8.77	-32.22
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020259451	1	46	-1.0	-40.99	336.96	8.78	-32.21
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020259452	0	43	-1.0	-42.47	321.40	6.63	-35.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020259452	1	43	-1.0	-42.49	321.45	6.65	-35.84
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020259453	0	50	-1.0	-43.43	368.46	10.84	-32.59
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020259453	1	50	-1.0	-43.38	368.49	10.84	-32.54
CCOC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1(C)C(F)F	REAL300020259454	0	48	-1.0	-48.77	390.15	7.15	-41.62
CCOC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1(C)C(F)F	REAL300020259454	1	48	-1.0	-48.79	390.20	7.16	-41.63
CCOC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1(C)C(F)F	REAL300020259455	0	45	-1.0	-50.14	369.47	6.37	-43.77
CCOC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1(C)C(F)F	REAL300020259455	1	45	-1.0	-50.11	369.53	6.40	-43.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020259456	0	39	-1.0	-45.45	321.33	5.24	-40.21
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020259456	1	39	-1.0	-45.46	321.39	5.26	-40.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020259457	0	36	-1.0	-45.58	300.84	4.47	-41.11
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020259457	1	36	-1.0	-45.56	300.89	4.50	-41.06
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020259458	0	43	-1.0	-47.41	353.29	7.33	-40.08
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020259458	1	43	-1.0	-47.32	353.33	7.32	-40.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020259459	0	39	-1.0	-45.45	321.33	5.24	-40.21
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020259459	1	39	-1.0	-45.46	321.39	5.26	-40.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020259460	0	36	-1.0	-45.58	300.84	4.47	-41.11
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020259460	1	36	-1.0	-45.56	300.89	4.50	-41.06
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020259461	0	43	-1.0	-47.41	353.29	7.33	-40.08
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020259461	1	43	-1.0	-47.32	353.33	7.32	-40.00
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2C	REAL300020259462	0	48	-1.0	-43.36	387.21	4.35	-39.01
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2C	REAL300020259462	1	48	-1.0	-43.33	387.27	4.37	-38.96
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2C	REAL300020259463	0	45	-1.0	-45.91	365.30	3.53	-42.38
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2C	REAL300020259463	1	45	-1.0	-45.93	365.36	3.55	-42.38
CCOC(=O)C1=NN(C)C2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020259464	0	49	-1.0	-50.46	409.98	6.59	-43.87
CCOC(=O)C1=NN(C)C2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020259464	1	49	-1.0	-50.45	410.04	6.61	-43.84
CCOC(=O)C1=NN(C)C2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020259465	0	46	-1.0	-55.89	388.49	5.80	-50.09
CCOC(=O)C1=NN(C)C2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020259465	1	46	-1.0	-55.90	388.55	5.82	-50.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020259466	0	41	-1.0	-41.73	330.52	2.33	-39.40
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020259466	1	41	-1.0	-41.75	330.58	2.35	-39.40
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020259467	0	38	-1.0	-41.94	309.80	1.37	-40.57
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020259467	1	38	-1.0	-41.94	309.74	1.34	-40.60
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020259468	0	45	-1.0	-44.81	357.78	4.48	-40.33
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020259468	1	45	-1.0	-44.77	357.80	4.47	-40.30
CC1CC(F)(F)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259469	0	40	-1.0	-42.46	333.20	6.71	-35.75
CC1CC(F)(F)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259469	1	40	-1.0	-42.44	333.25	6.70	-35.74
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020259470	0	42	-1.0	-42.18	349.22	6.42	-35.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020259470	1	42	-1.0	-42.19	349.28	6.43	-35.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020259471	0	39	-1.0	-44.14	321.09	5.88	-38.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020259471	1	39	-1.0	-44.13	321.15	5.90	-38.23
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020259472	0	46	-1.0	-46.38	374.55	8.77	-37.61
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020259472	1	46	-1.0	-46.33	374.59	8.77	-37.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020259473	0	47	-1.0	-42.69	374.68	6.07	-36.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020259473	1	47	-1.0	-42.65	374.73	6.08	-36.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020259474	0	44	-1.0	-43.69	357.69	4.51	-39.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020259474	1	44	-1.0	-43.69	357.64	4.48	-39.21
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020259475	0	46	-1.0	-45.26	354.71	2.81	-42.45
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020259475	1	46	-1.0	-45.26	354.77	2.82	-42.44
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020259476	0	43	-1.0	-51.90	337.03	2.30	-49.60
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020259476	1	43	-1.0	-51.85	337.08	2.32	-49.53
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259477	0	41	-1.0	-43.44	351.49	7.83	-35.61
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259477	1	41	-1.0	-43.47	351.55	7.85	-35.62
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259478	0	38	-1.0	-45.44	330.00	7.05	-38.39
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259478	1	38	-1.0	-45.43	330.06	7.07	-38.36
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259479	0	45	-1.0	-45.60	384.72	9.80	-35.80
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259479	1	45	-1.0	-45.58	384.76	9.79	-35.79
COCCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020259480	0	47	-1.0	-42.88	366.76	4.42	-38.46
COCCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020259480	1	47	-1.0	-42.89	366.82	4.43	-38.46
COCCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020259481	0	44	-1.0	-45.07	345.25	3.63	-41.44
COCCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020259481	1	44	-1.0	-45.10	345.31	3.66	-41.44
COCCC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020259482	0	51	-1.0	-45.26	397.90	6.53	-38.73
COCCC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020259482	1	51	-1.0	-45.23	397.96	6.50	-38.73
COC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2C)C=C1F	REAL300020259483	0	50	-1.0	-43.65	403.24	7.01	-36.64
COC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2C)C=C1F	REAL300020259483	1	50	-1.0	-43.67	403.30	7.02	-36.65
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2C)C=C1F	REAL300020259484	0	47	-1.0	-45.13	382.80	6.31	-38.82
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2C)C=C1F	REAL300020259484	1	47	-1.0	-45.13	382.86	6.34	-38.79
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259485	0	45	-1.0	-40.91	351.88	6.37	-34.54
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259485	1	45	-1.0	-40.92	351.94	6.39	-34.53
CCCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259486	0	49	-1.0	-43.03	383.55	8.59	-34.44
CCCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259486	1	49	-1.0	-42.95	383.59	8.57	-34.38
CN1CC2(CC1=O)CCCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020259487	0	47	-1.0	-50.07	368.79	6.04	-44.03
CN1CC2(CC1=O)CCCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020259487	1	47	-1.0	-50.09	368.85	6.06	-44.03
CN1CC2(CC1=O)CCCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020259488	0	44	-1.0	-49.96	346.21	5.22	-44.74
CN1CC2(CC1=O)CCCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020259488	1	44	-1.0	-50.00	346.26	5.25	-44.75
CN1CC2(CC1=O)CCCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020259489	0	51	-1.0	-52.17	399.67	8.13	-44.04
CN1CC2(CC1=O)CCCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020259489	1	51	-1.0	-52.14	399.70	8.13	-44.01
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020259490	0	41	-1.0	-41.37	314.32	7.03	-34.34
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020259490	1	41	-1.0	-41.40	314.38	7.04	-34.36
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020259491	0	45	-1.0	-43.33	345.64	9.09	-34.24
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020259491	1	45	-1.0	-43.37	345.33	9.09	-34.28
CC1=CC=C(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020259492	0	46	-1.0	-43.09	374.75	7.49	-35.60
CC1=CC=C(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020259492	1	46	-1.0	-43.09	374.80	7.51	-35.58
CC1=CC=C(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020259493	0	43	-1.0	-43.57	358.22	6.76	-36.81
CC1=CC=C(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020259493	1	43	-1.0	-43.57	358.27	6.79	-36.78
CC1=CC=C(OCCN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C=C1	REAL300020259494	0	50	-1.0	-45.52	406.59	9.65	-35.87
CC1=CC=C(OCCN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C=C1	REAL300020259494	1	50	-1.0	-45.54	406.63	9.64	-35.90
CC1=CC=C(C23CC2CN(C2=NN=C(CCC4=N[N-]N=N4)N2C)C3)C=C1	REAL300020259495	0	47	-1.0	-40.78	384.32	9.54	-31.24
CC1=CC=C(C23CC2CN(C2=NN=C(CCC4=NN=N[N-]4)N2C)C3)C=C1	REAL300020259495	1	47	-1.0	-40.83	384.38	9.55	-31.28
CC1=CC=C(C23CC2CN(C2=NN=C(CC4=N[N-]N=N4)N2C)C3)C=C1	REAL300020259496	0	44	-1.0	-43.75	361.77	8.72	-35.03
CC1=CC=C(C23CC2CN(C2=NN=C(CC4=NN=N[N-]4)N2C)C3)C=C1	REAL300020259496	1	44	-1.0	-43.72	361.83	8.74	-34.98
CC1=CC=C(C23CC2CN(C2=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N2C)C3)C=C1	REAL300020259497	0	51	-1.0	-43.83	404.83	11.10	-32.73
CC1=CC=C(C23CC2CN(C2=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N2C)C3)C=C1	REAL300020259497	1	51	-1.0	-43.49	406.00	11.06	-32.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020259498	0	48	-1.0	-47.85	390.12	7.08	-40.77
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020259498	1	48	-1.0	-47.85	390.17	7.10	-40.75
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020259499	0	45	-1.0	-51.15	368.07	6.49	-44.66
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020259499	1	45	-1.0	-51.14	368.12	6.52	-44.62
CC1=NN=C([C@H]2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)O1	REAL300020259500	0	41	-1.0	-47.74	341.65	1.23	-46.51
CC1=NN=C([C@H]2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)O1	REAL300020259500	1	41	-1.0	-47.77	341.71	1.24	-46.53
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)O1	REAL300020259501	0	38	-1.0	-47.57	321.15	0.49	-47.08
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)O1	REAL300020259501	1	38	-1.0	-47.58	321.21	0.51	-47.07
CC1=NN=C([C@H]2CCCN2C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)O1	REAL300020259502	0	45	-1.0	-49.51	372.79	3.36	-46.15
CC1=NN=C([C@H]2CCCN2C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)O1	REAL300020259502	1	45	-1.0	-49.52	372.84	3.35	-46.17
COC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259503	0	41	-1.0	-45.70	334.46	8.46	-37.24
COC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259503	1	41	-1.0	-45.69	334.52	8.48	-37.21
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259504	0	38	-1.0	-48.48	312.20	7.68	-40.80
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259504	1	38	-1.0	-48.47	312.15	7.65	-40.82
COC1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259505	0	45	-1.0	-47.64	366.44	10.50	-37.14
COC1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259505	1	45	-1.0	-47.61	366.47	10.48	-37.13
COC(=O)C[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259506	0	42	-1.0	-42.34	348.09	5.85	-36.49
COC(=O)C[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259506	1	42	-1.0	-42.33	348.15	5.87	-36.46
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259507	0	39	-1.0	-45.20	326.59	5.06	-40.14
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259507	1	39	-1.0	-45.16	326.65	5.08	-40.08
COC(=O)C[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259508	0	46	-1.0	-44.77	379.72	8.01	-36.76
COC(=O)C[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259508	1	46	-1.0	-44.76	379.76	8.00	-36.76
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1(F)F	REAL300020259509	0	40	-1.0	-42.00	332.69	7.31	-34.69
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1(F)F	REAL300020259509	1	40	-1.0	-41.95	332.72	7.29	-34.66
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020259510	0	45	-1.0	-43.24	342.98	6.79	-36.45
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020259510	1	45	-1.0	-43.22	343.04	6.81	-36.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020259511	0	42	-1.0	-44.80	328.68	5.67	-39.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020259511	1	42	-1.0	-44.78	328.74	5.69	-39.09
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020259512	0	49	-1.0	-47.38	374.81	8.11	-39.27
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020259512	1	49	-1.0	-47.33	374.85	8.10	-39.23
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020259513	0	47	-1.0	-41.56	353.57	6.87	-34.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020259513	1	47	-1.0	-41.58	353.63	6.89	-34.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020259514	0	44	-1.0	-44.19	331.00	6.06	-38.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020259514	1	44	-1.0	-44.20	331.06	6.09	-38.11
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020259515	0	51	-1.0	-43.79	384.30	8.94	-34.85
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020259515	1	51	-1.0	-43.82	384.33	8.93	-34.89
COC(=O)C1=COC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020259516	0	40	-1.0	-47.59	345.98	5.37	-42.22
COC(=O)C1=COC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020259516	1	40	-1.0	-47.60	346.03	5.39	-42.21
COC(=O)C1=COC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020259517	0	37	-1.0	-48.12	324.48	4.59	-43.53
COC(=O)C1=COC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020259517	1	37	-1.0	-48.16	324.53	4.61	-43.55
COC(=O)C1=COC2=C1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020259518	0	44	-1.0	-50.07	377.40	7.43	-42.64
COC(=O)C1=COC2=C1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020259518	1	44	-1.0	-50.07	377.43	7.42	-42.65
CN(CC1CCCCC12CCC2)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259519	0	52	-1.0	-40.80	379.94	9.09	-31.71
CN(CC1CCCCC12CCC2)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259519	1	52	-1.0	-40.79	379.99	9.10	-31.69
CN(CC1CCCCC12CCC2)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259520	0	49	-1.0	-40.96	360.76	9.96	-31.00
CN(CC1CCCCC12CCC2)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259520	1	49	-1.0	-40.97	360.82	9.98	-30.99
CN(CC1CCCCC12CCC2)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259521	0	56	-1.0	-43.30	413.26	11.19	-32.11
CN(CC1CCCCC12CCC2)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259521	1	56	-1.0	-43.28	413.30	11.18	-32.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020259522	0	46	-1.0	-47.13	374.03	3.78	-43.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020259522	1	46	-1.0	-47.14	374.09	3.79	-43.35
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020259523	0	43	-1.0	-48.91	352.54	2.98	-45.93
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020259523	1	43	-1.0	-48.94	352.59	3.01	-45.93
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020259524	0	41	-1.0	-43.26	330.13	4.70	-38.56
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020259524	1	41	-1.0	-43.27	330.19	4.72	-38.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020259525	0	38	-1.0	-44.34	304.85	3.39	-40.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020259525	1	38	-1.0	-44.30	304.80	3.36	-40.94
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020259526	0	45	-1.0	-45.66	363.21	6.68	-38.98
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020259526	1	45	-1.0	-45.64	363.26	6.67	-38.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CNC(=O)OC(C)(C)C)CC1	REAL300020259527	0	56	-1.0	-45.74	421.22	5.70	-40.04
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CNC(=O)OC(C)(C)C)CC1	REAL300020259527	1	56	-1.0	-45.76	421.28	5.72	-40.04
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259528	0	41	-1.0	-44.20	337.19	8.14	-36.06
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259528	1	41	-1.0	-44.19	337.24	8.13	-36.06
COC1=CC=C(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)C=C1C	REAL300020259529	0	53	-1.0	-43.65	414.67	8.99	-34.66
COC1=CC=C(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)C=C1C	REAL300020259529	1	53	-1.0	-43.66	414.73	9.01	-34.65
COC1=CC=C(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)C=C1C	REAL300020259530	0	50	-1.0	-44.04	399.77	7.96	-36.08
COC1=CC=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)C=C1C	REAL300020259530	1	50	-1.0	-44.04	399.83	7.99	-36.05
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)O1	REAL300020259531	0	41	-1.0	-47.80	338.51	0.61	-47.19
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)O1	REAL300020259531	1	41	-1.0	-47.78	338.57	0.62	-47.16
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)O1	REAL300020259532	0	38	-1.0	-53.37	324.03	0.37	-53.00
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)O1	REAL300020259532	1	38	-1.0	-53.40	324.09	0.39	-53.01
CC1=NN=C([C@@H]2CCCN2C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)O1	REAL300020259533	0	45	-1.0	-53.77	369.64	2.72	-51.05
CC1=NN=C([C@@H]2CCCN2C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)O1	REAL300020259533	1	45	-1.0	-53.73	369.68	2.70	-51.03
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259534	0	44	-1.0	-44.09	357.21	6.74	-37.35
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259534	1	44	-1.0	-44.11	357.26	6.74	-37.37
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)[C@H]2COC[C@H]21	REAL300020259535	0	42	-1.0	-41.81	341.38	2.90	-38.91
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)[C@H]2COC[C@H]21	REAL300020259535	1	42	-1.0	-41.80	341.43	2.91	-38.89
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)[C@H]2COC[C@H]21	REAL300020259536	0	39	-1.0	-43.12	316.89	2.05	-41.07
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)[C@H]2COC[C@H]21	REAL300020259536	1	39	-1.0	-43.16	316.94	2.07	-41.09
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)[C@H]2COC[C@H]21	REAL300020259537	0	46	-1.0	-44.56	368.43	5.16	-39.40
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)[C@H]2COC[C@H]21	REAL300020259537	1	46	-1.0	-44.51	368.46	5.15	-39.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020259538	0	47	-1.0	-44.96	382.40	5.33	-39.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020259538	1	47	-1.0	-44.94	382.45	5.35	-39.59
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020259539	0	44	-1.0	-48.38	360.90	4.55	-43.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020259539	1	44	-1.0	-48.41	360.95	4.57	-43.84
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020259540	0	51	-1.0	-49.01	408.53	7.49	-41.52
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020259540	1	51	-1.0	-48.94	408.60	7.47	-41.47
COC1=CC(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=CC=C1C	REAL300020259541	0	53	-1.0	-43.63	414.68	8.99	-34.64
COC1=CC(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=CC=C1C	REAL300020259541	1	53	-1.0	-43.62	414.74	9.01	-34.61
COC1=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=CC=C1C	REAL300020259542	0	50	-1.0	-43.89	399.80	7.96	-35.93
COC1=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=CC=C1C	REAL300020259542	1	50	-1.0	-43.90	399.85	7.99	-35.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300020259543	0	48	-1.0	-48.04	380.07	6.47	-41.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300020259543	1	48	-1.0	-48.02	380.13	6.49	-41.53
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300020259544	0	45	-1.0	-52.80	357.41	5.65	-47.15
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300020259544	1	45	-1.0	-52.83	357.47	5.67	-47.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020259545	0	48	-1.0	-43.14	379.69	2.29	-40.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020259545	1	48	-1.0	-43.12	379.75	2.31	-40.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020259546	0	45	-1.0	-45.06	357.08	1.50	-43.56
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020259546	1	45	-1.0	-45.09	357.13	1.52	-43.57
CC1C(C2=CC=C(F)C(F)=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259547	0	46	-1.0	-42.61	380.23	7.75	-34.86
CC1C(C2=CC=C(F)C(F)=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259547	1	46	-1.0	-42.57	380.29	7.77	-34.80
CC1C(C2=CC=C(F)C(F)=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259548	0	43	-1.0	-44.09	359.79	7.06	-37.03
CC1C(C2=CC=C(F)C(F)=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259548	1	43	-1.0	-44.08	359.85	7.08	-37.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020259549	0	47	-1.0	-44.87	381.44	6.13	-38.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020259549	1	47	-1.0	-44.93	381.50	6.14	-38.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020259550	0	44	-1.0	-47.55	360.93	5.37	-42.18
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020259550	1	44	-1.0	-47.60	360.99	5.39	-42.21
CC1=CC=CC(NC(=O)NCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=C1	REAL300020259551	0	52	-1.0	-53.70	422.82	5.87	-47.83
CC1=CC=CC(NC(=O)NCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=C1	REAL300020259551	1	52	-1.0	-53.70	422.88	5.89	-47.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020259552	0	46	-1.0	-48.98	366.42	3.25	-45.73
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020259552	1	46	-1.0	-48.96	366.48	3.27	-45.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020259553	0	43	-1.0	-52.19	338.62	2.48	-49.71
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020259553	1	43	-1.0	-52.20	338.67	2.51	-49.69
CC1=CC=C(Cl)C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020259554	0	46	-1.0	-42.87	386.02	9.83	-33.04
CC1=CC=C(Cl)C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020259554	1	46	-1.0	-42.89	386.08	9.85	-33.04
CC1=CC=C(Cl)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020259555	0	43	-1.0	-45.03	364.53	9.05	-35.98
CC1=CC=C(Cl)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020259555	1	43	-1.0	-45.05	364.59	9.07	-35.98
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020259556	0	41	-1.0	-44.61	342.50	3.64	-40.97
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020259556	1	41	-1.0	-44.67	342.56	3.65	-41.02
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020259557	0	38	-1.0	-48.19	321.06	2.89	-45.30
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020259557	1	38	-1.0	-48.16	321.00	2.85	-45.31
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020259558	0	45	-1.0	-47.68	373.14	5.70	-41.98
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020259558	1	45	-1.0	-47.60	373.19	5.67	-41.93
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(Br)=C2C1	REAL300020259559	0	38	-1.0	-46.27	332.06	3.26	-43.01
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(Br)=C2C1	REAL300020259559	1	38	-1.0	-46.31	332.12	3.28	-43.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020259560	0	47	-1.0	-43.99	387.03	6.08	-37.91
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020259560	1	47	-1.0	-44.04	387.09	6.09	-37.95
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020259561	0	44	-1.0	-49.85	359.52	5.32	-44.53
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020259561	1	44	-1.0	-49.87	359.58	5.35	-44.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(Br)N=C2C1	REAL300020259562	0	36	-1.0	-41.82	323.85	5.13	-36.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(Br)N=C2C1	REAL300020259562	1	36	-1.0	-41.88	323.91	5.14	-36.74
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(Br)N=C2C1	REAL300020259563	0	33	-1.0	-43.05	302.34	4.34	-38.71
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(Br)N=C2C1	REAL300020259563	1	33	-1.0	-42.99	302.40	4.37	-38.62
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020259564	0	42	-1.0	-39.32	343.39	6.62	-32.70
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020259564	1	42	-1.0	-39.32	343.45	6.63	-32.69
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020259565	0	39	-1.0	-40.38	321.88	5.82	-34.56
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020259565	1	39	-1.0	-40.43	321.94	5.85	-34.58
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020259566	0	46	-1.0	-43.23	368.15	8.77	-34.46
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020259566	1	46	-1.0	-43.30	368.17	8.75	-34.55
CN1C=C(C23CCC2CCN3C2=NN=C(CCC3=NN=N[N-]3)N2C)C=N1	REAL300020259567	0	47	-1.0	-44.09	371.97	6.62	-37.47
CN1C=C(C23CCC2CCN3C2=NN=C(CCC3=N[N-]N=N3)N2C)C=N1	REAL300020259567	1	47	-1.0	-44.09	371.91	6.61	-37.48
CN1C=C(C23CCC2CCN3C2=NN=C(CC3=NN=N[N-]3)N2C)C=N1	REAL300020259568	0	44	-1.0	-47.24	346.84	5.71	-41.53
CN1C=C(C23CCC2CCN3C2=NN=C(CC3=N[N-]N=N3)N2C)C=N1	REAL300020259568	1	44	-1.0	-47.21	346.79	5.68	-41.53
CSCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259569	0	46	-1.0	-41.10	362.22	7.46	-33.64
CSCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259569	1	46	-1.0	-41.11	362.28	7.48	-33.63
CSCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259570	0	43	-1.0	-43.74	339.63	6.64	-37.10
CSCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259570	1	43	-1.0	-43.77	339.69	6.67	-37.10
CSCC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020259571	0	50	-1.0	-43.33	393.09	9.54	-33.79
CSCC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020259571	1	50	-1.0	-43.27	393.13	9.54	-33.73
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020259572	0	48	-1.0	-50.74	380.65	3.96	-46.78
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020259572	1	48	-1.0	-50.75	380.71	3.97	-46.78
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020259573	0	45	-1.0	-52.42	358.11	3.14	-49.28
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020259573	1	45	-1.0	-52.46	358.16	3.16	-49.30
CC(N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C)C1(S(C)(=O)=O)CC1	REAL300020259574	0	45	-1.0	-51.42	356.41	4.04	-47.38
CC(N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C)C1(S(C)(=O)=O)CC1	REAL300020259574	1	45	-1.0	-51.40	356.47	4.06	-47.34
CC(N(C)C1=NN=C(CC2=N[N-]N=N2)N1C)C1(S(C)(=O)=O)CC1	REAL300020259575	0	42	-1.0	-53.20	328.23	1.74	-51.46
CC(N(C)C1=NN=C(CC2=NN=N[N-]2)N1C)C1(S(C)(=O)=O)CC1	REAL300020259575	1	42	-1.0	-53.22	328.28	1.78	-51.44
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020259576	0	43	-1.0	-40.43	359.13	5.79	-34.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020259576	1	43	-1.0	-40.41	359.19	5.80	-34.61
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020259577	0	40	-1.0	-41.44	345.30	4.77	-36.67
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020259577	1	40	-1.0	-41.48	345.36	4.80	-36.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020259578	0	43	-1.0	-43.62	357.95	8.16	-35.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020259578	1	43	-1.0	-43.67	358.00	8.17	-35.50
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020259579	0	40	-1.0	-46.11	336.42	7.36	-38.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020259579	1	40	-1.0	-46.14	336.48	7.39	-38.75
COC1CC(C(=O)OC(C)(C)C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259580	0	55	-1.0	-41.37	435.63	7.05	-34.32
COC1CC(C(=O)OC(C)(C)C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259580	1	55	-1.0	-41.40	435.69	7.06	-34.34
COC1CC(C(=O)OC(C)(C)C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259581	0	52	-1.0	-44.96	415.22	6.13	-38.83
COC1CC(C(=O)OC(C)(C)C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259581	1	52	-1.0	-44.99	415.28	6.17	-38.82
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCC(F)(F)C1	REAL300020259582	0	42	-1.0	-41.80	331.16	7.13	-34.67
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCC(F)(F)C1	REAL300020259582	1	42	-1.0	-41.77	331.21	7.14	-34.63
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCC(F)(F)C1	REAL300020259583	0	39	-1.0	-45.95	310.58	6.36	-39.59
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCC(F)(F)C1	REAL300020259583	1	39	-1.0	-45.92	310.63	6.39	-39.53
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCC(F)(F)C1	REAL300020259584	0	46	-1.0	-44.64	362.66	9.23	-35.41
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCC(F)(F)C1	REAL300020259584	1	46	-1.0	-44.64	362.71	9.22	-35.42
COC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259585	0	45	-1.0	-42.96	360.28	6.78	-36.18
COC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259585	1	45	-1.0	-42.99	360.34	6.79	-36.20
COC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259586	0	42	-1.0	-45.68	338.75	6.00	-39.68
COC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259586	1	42	-1.0	-45.70	338.80	6.03	-39.67
COC(=O)CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259587	0	49	-1.0	-45.32	391.15	8.86	-36.46
COC(=O)CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259587	1	49	-1.0	-45.29	391.20	8.86	-36.43
COC(=O)C[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259588	0	45	-1.0	-42.56	365.25	6.71	-35.85
COC(=O)C[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259588	1	45	-1.0	-42.57	365.30	6.72	-35.85
COC(=O)C[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259589	0	42	-1.0	-43.46	344.28	5.73	-37.73
COC(=O)C[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259589	1	42	-1.0	-43.48	344.34	5.75	-37.73
COC(=O)C[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259590	0	49	-1.0	-45.31	391.16	8.86	-36.45
COC(=O)C[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259590	1	49	-1.0	-45.28	391.20	8.86	-36.42
COC(=O)C[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259591	0	45	-1.0	-41.82	365.80	6.51	-35.31
COC(=O)C[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259591	1	45	-1.0	-41.80	365.85	6.52	-35.28
COC(=O)C[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259592	0	42	-1.0	-44.24	343.76	5.93	-38.31
COC(=O)C[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259592	1	42	-1.0	-44.30	343.82	5.96	-38.34
COC(=O)C[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259593	0	49	-1.0	-45.27	391.08	8.87	-36.40
COC(=O)C[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259593	1	49	-1.0	-45.31	391.12	8.86	-36.45
CC1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=C1	REAL300020259594	0	42	-1.0	-47.01	345.97	6.23	-40.78
CC1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=C1	REAL300020259594	1	42	-1.0	-47.00	346.03	6.25	-40.75
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=C1	REAL300020259595	0	39	-1.0	-50.55	324.52	5.53	-45.02
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=C1	REAL300020259595	1	39	-1.0	-50.55	324.58	5.55	-45.00
CC1=NOC(C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C2)=C1	REAL300020259596	0	46	-1.0	-49.31	377.93	8.32	-40.99
CC1=NOC(C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C2)=C1	REAL300020259596	1	46	-1.0	-49.30	377.97	8.31	-40.99
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)C=C1	REAL300020259597	0	46	-1.0	-47.15	378.42	6.01	-41.14
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)C=C1	REAL300020259597	1	46	-1.0	-47.20	378.48	6.03	-41.17
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C=C1	REAL300020259598	0	43	-1.0	-49.37	357.88	5.26	-44.11
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C=C1	REAL300020259598	1	43	-1.0	-49.38	357.94	5.28	-44.10
CC1=CC(Br)=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259599	0	42	-1.0	-40.61	357.86	7.60	-33.01
CC1=CC(Br)=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259599	1	42	-1.0	-40.61	357.92	7.62	-32.99
CC(C1CCCO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259600	0	43	-1.0	-40.67	326.02	5.26	-35.41
CC(C1CCCO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259600	1	43	-1.0	-40.69	326.08	5.27	-35.42
CC(C1CCCO1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259601	0	47	-1.0	-45.55	363.50	7.06	-38.49
CC(C1CCCO1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259601	1	47	-1.0	-45.57	363.54	7.05	-38.52
COC(=O)C(C#N)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259602	0	46	-1.0	-47.39	376.83	6.87	-40.52
COC(=O)C(C#N)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259602	1	46	-1.0	-47.41	376.88	6.89	-40.52
COC(=O)C(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259603	0	43	-1.0	-48.83	362.48	6.07	-42.76
COC(=O)C(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259603	1	43	-1.0	-48.82	362.52	6.10	-42.72
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020259604	0	52	-1.0	-40.74	389.30	3.98	-36.76
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020259604	1	52	-1.0	-40.86	389.36	3.99	-36.87
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020259604	1	53	0.0	-61.59	383.63	6.70	-54.89
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020259605	0	49	-1.0	-45.41	361.17	3.68	-41.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020259605	1	49	-1.0	-45.45	361.22	3.70	-41.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020259605	1	50	0.0	-58.03	369.54	5.56	-52.47
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020259606	0	43	-1.0	-43.45	365.09	9.10	-34.35
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020259606	1	43	-1.0	-43.39	365.14	9.11	-34.28
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020259607	0	40	-1.0	-45.54	338.21	6.22	-39.32
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020259607	1	40	-1.0	-45.53	338.26	6.24	-39.29
CC1=CC=C(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020259608	0	51	-1.0	-41.51	402.01	7.16	-34.35
CC1=CC=C(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020259608	1	52	0.0	-69.97	404.34	9.57	-60.40
CC1=CC=C(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020259608	1	51	-1.0	-41.49	402.07	7.17	-34.32
CC1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)C=C1	REAL300020259609	0	48	-1.0	-43.88	380.41	6.37	-37.51
CC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020259609	1	49	0.0	-67.51	382.84	8.79	-58.72
CC1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)C=C1	REAL300020259609	1	48	-1.0	-43.86	380.47	6.39	-37.47
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020259610	0	49	-1.0	-40.03	375.33	8.96	-31.07
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020259610	1	49	-1.0	-40.00	375.39	8.97	-31.03
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020259611	0	46	-1.0	-42.18	353.89	8.19	-33.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020259611	1	46	-1.0	-42.17	353.83	8.17	-34.00
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259612	0	40	-1.0	-42.90	320.19	6.56	-36.34
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259612	1	40	-1.0	-42.86	320.24	6.56	-36.30
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC[C@H]1F	REAL300020259613	0	40	-1.0	-41.96	324.12	4.53	-37.43
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC[C@H]1F	REAL300020259613	1	40	-1.0	-41.95	324.18	4.54	-37.41
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC[C@H]1F	REAL300020259614	0	44	-1.0	-44.64	354.98	6.60	-38.04
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC[C@H]1F	REAL300020259614	1	44	-1.0	-44.64	355.02	6.60	-38.04
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020259615	0	44	-1.0	-40.95	343.55	6.59	-34.36
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020259615	1	44	-1.0	-40.96	343.61	6.61	-34.35
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020259616	0	41	-1.0	-43.38	322.05	5.80	-37.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020259616	1	41	-1.0	-43.43	322.10	5.83	-37.60
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020259617	0	48	-1.0	-43.22	376.08	8.68	-34.54
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020259617	1	48	-1.0	-43.17	376.06	8.68	-34.49
CCOC(=O)C1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C)C([N+](=O)[O-])=C1	REAL300020259618	0	44	-1.0	-46.22	381.38	9.73	-36.49
CCOC(=O)C1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C)C([N+](=O)[O-])=C1	REAL300020259618	1	44	-1.0	-46.24	381.44	9.75	-36.49
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259619	0	40	-1.0	-50.12	327.16	3.14	-46.98
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259619	1	40	-1.0	-50.10	327.22	3.16	-46.94
CNC(=O)[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259620	0	44	-1.0	-51.50	360.08	5.20	-46.30
CNC(=O)[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259620	1	44	-1.0	-51.47	360.11	5.20	-46.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020259621	0	45	-1.0	-48.47	375.41	6.11	-42.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020259621	1	45	-1.0	-48.41	375.35	6.10	-42.31
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020259622	0	42	-1.0	-51.77	353.80	5.34	-46.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020259622	1	42	-1.0	-51.78	353.74	5.32	-46.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020259623	0	38	-1.0	-46.79	310.45	0.33	-46.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020259623	1	38	-1.0	-46.78	310.50	0.35	-46.43
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020259624	0	35	-1.0	-47.46	289.97	-0.42	-47.88
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020259624	1	35	-1.0	-47.45	290.03	-0.40	-47.85
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020259625	0	42	-1.0	-51.53	349.01	2.70	-48.83
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020259625	1	42	-1.0	-51.49	349.03	2.69	-48.80
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020259626	0	40	-1.0	-40.52	328.54	6.88	-33.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020259626	1	40	-1.0	-40.60	328.59	6.89	-33.71
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020259627	0	37	-1.0	-42.93	307.03	6.08	-36.85
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020259627	1	37	-1.0	-42.94	307.09	6.11	-36.83
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020259628	0	44	-1.0	-43.12	358.35	8.95	-34.17
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020259628	1	44	-1.0	-43.12	358.38	8.93	-34.19
COC(=O)C1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020259629	0	46	-1.0	-43.29	379.63	8.12	-35.17
COC(=O)C1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020259629	1	46	-1.0	-43.32	379.69	8.14	-35.18
COC(=O)C1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020259630	0	43	-1.0	-46.51	359.08	7.37	-39.14
COC(=O)C1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020259630	1	43	-1.0	-46.53	359.13	7.39	-39.14
COC1=CC(F)=CC(F)=C1C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CCO1	REAL300020259631	0	45	-1.0	-47.16	374.62	5.60	-41.56
COC1=CC(F)=CC(F)=C1C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CCO1	REAL300020259631	1	45	-1.0	-47.15	374.68	5.63	-41.52
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259632	0	51	0.0	-66.55	371.31	7.44	-59.11
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259632	1	51	0.0	-65.41	376.95	7.44	-57.97
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259632	1	51	0.0	-66.56	371.36	7.45	-59.11
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259632	1	51	0.0	-65.48	377.01	7.45	-58.03
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259633	0	48	0.0	-65.34	349.81	6.64	-58.70
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259633	1	48	0.0	-65.90	355.44	6.64	-59.26
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259633	1	48	0.0	-65.37	349.87	6.67	-58.70
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259633	1	48	0.0	-65.89	355.50	6.67	-59.22
CC(C)[N@H+](C)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020259634	0	55	0.0	-69.56	410.00	9.33	-60.23
CC(C)[N@@H+](C)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020259634	1	55	0.0	-70.75	405.09	9.46	-61.29
CC(C)[N@H+](C)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020259634	1	55	0.0	-69.51	410.05	9.32	-60.19
CC(C)[N@@H+](C)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020259634	1	55	0.0	-70.73	405.14	9.45	-61.28
CN(C(=O)OCC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259635	0	51	-1.0	-47.90	399.42	6.77	-41.13
CN(C(=O)OCC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259635	1	51	-1.0	-47.94	399.48	6.80	-41.14
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC2=CC(F)=CC=C2F)CC1	REAL300020259636	0	48	-1.0	-44.04	392.31	6.56	-37.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC2=CC(F)=CC=C2F)CC1	REAL300020259636	1	48	-1.0	-44.04	392.36	6.58	-37.46
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC(F)=CC=C2F)CC1	REAL300020259636	1	49	0.0	-67.85	392.10	8.80	-59.05
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC(F)=CC=C2F)CC1	REAL300020259636	1	49	0.0	-65.20	385.70	9.48	-55.72
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259637	0	43	-1.0	-44.14	356.14	9.97	-34.17
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259637	1	43	-1.0	-44.16	356.19	9.98	-34.18
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259638	0	40	-1.0	-49.87	335.49	9.23	-40.64
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259638	1	40	-1.0	-49.86	335.44	9.20	-40.66
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259639	0	47	-1.0	-49.38	390.65	12.28	-37.10
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259639	1	47	-1.0	-49.39	390.71	12.28	-37.11
COC1=CC=CC(F)=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259640	0	47	-1.0	-42.60	364.41	6.16	-36.44
COC1=CC=CC(F)=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259640	1	47	-1.0	-42.62	364.47	6.18	-36.44
COC1=CC=CC(F)=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259641	0	44	-1.0	-46.29	342.91	5.38	-40.91
COC1=CC=CC(F)=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259641	1	44	-1.0	-46.33	342.97	5.41	-40.92
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3(CC2)OCCO3)C1	REAL300020259642	0	53	-1.0	-43.21	401.27	5.57	-37.64
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3(CC2)OCCO3)C1	REAL300020259642	1	53	-1.0	-43.25	401.33	5.58	-37.67
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3(CC2)OCCO3)C1	REAL300020259643	0	50	-1.0	-45.86	379.78	4.78	-41.08
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3(CC2)OCCO3)C1	REAL300020259643	1	50	-1.0	-45.88	379.83	4.81	-41.07
CC1C2=CC=CN=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259644	0	42	-1.0	-42.46	334.27	6.28	-36.18
CC1C2=CC=CN=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259644	1	42	-1.0	-42.45	334.33	6.29	-36.16
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259645	0	39	-1.0	-43.76	311.89	5.49	-38.27
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259645	1	39	-1.0	-43.74	311.83	5.47	-38.27
CC1C2=CC=CN=C2CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259646	0	46	-1.0	-44.06	372.24	7.91	-36.15
CC1C2=CC=CN=C2CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259646	1	46	-1.0	-43.98	372.27	7.90	-36.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020259647	0	48	-1.0	-39.90	351.80	8.42	-31.48
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020259647	1	48	-1.0	-39.96	351.86	8.44	-31.52
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020259648	0	45	-1.0	-41.42	329.19	7.61	-33.81
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020259648	1	45	-1.0	-41.39	329.25	7.63	-33.76
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCCC1	REAL300020259649	0	52	-1.0	-42.10	381.69	10.46	-31.64
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCCC1	REAL300020259649	1	52	-1.0	-42.10	381.72	10.44	-31.66
COC1=CC=CC(C(=O)C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)=C1	REAL300020259650	0	52	-1.0	-48.42	412.29	7.58	-40.84
COC1=CC=CC(C(=O)C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)=C1	REAL300020259650	1	52	-1.0	-48.42	412.35	7.59	-40.83
COC1=CC=CC(C(=O)C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)=C1	REAL300020259651	0	49	-1.0	-51.49	400.48	7.29	-44.20
COC1=CC=CC(C(=O)C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)=C1	REAL300020259651	1	49	-1.0	-51.56	400.53	7.32	-44.24
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020259652	0	44	-1.0	-42.37	346.69	7.98	-34.39
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020259652	1	44	-1.0	-42.41	347.23	8.01	-34.40
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020259653	0	43	-1.0	-41.22	335.13	4.29	-36.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020259653	1	43	-1.0	-41.23	335.19	4.31	-36.92
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020259654	0	40	-1.0	-44.11	309.79	3.49	-40.62
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020259654	1	40	-1.0	-44.11	309.85	3.51	-40.60
C[C@H]1CSCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259655	0	41	-1.0	-42.29	343.01	6.87	-35.42
C[C@H]1CSCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259655	1	41	-1.0	-42.31	343.05	6.86	-35.45
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259656	0	38	-1.0	-43.71	329.24	7.35	-36.36
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259656	1	38	-1.0	-43.65	329.27	7.34	-36.31
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020259657	0	37	-1.0	-46.02	295.94	4.56	-41.46
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020259657	1	37	-1.0	-46.03	296.00	4.57	-41.46
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020259658	0	41	-1.0	-47.83	330.99	6.76	-41.07
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020259658	1	41	-1.0	-47.82	331.02	6.75	-41.07
CN(CC12CCC(CC1)C2)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259659	0	46	-1.0	-39.95	351.95	7.73	-32.22
CN(CC12CCC(CC1)C2)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259659	1	46	-1.0	-39.93	352.01	7.75	-32.18
CN(CC12CCC(CC1)C2)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259660	0	43	-1.0	-41.34	330.43	6.93	-34.41
CN(CC12CCC(CC1)C2)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259660	1	43	-1.0	-41.33	330.48	6.96	-34.37
CN(CC12CCC(CC1)C2)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259661	0	50	-1.0	-42.63	381.61	9.95	-32.68
CN(CC12CCC(CC1)C2)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259661	1	50	-1.0	-42.64	381.69	9.93	-32.71
CCC1=CSC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020259662	0	48	-1.0	-42.69	394.39	7.48	-35.21
CCC1=CSC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020259662	1	48	-1.0	-42.68	394.45	7.49	-35.19
CCC1=CSC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C)CC2)=N1	REAL300020259663	0	45	-1.0	-44.52	372.90	6.68	-37.84
CCC1=CSC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C)CC2)=N1	REAL300020259663	1	45	-1.0	-44.53	372.95	6.71	-37.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020259664	0	42	-1.0	-43.86	343.24	6.81	-37.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020259664	1	42	-1.0	-43.87	343.29	6.82	-37.05
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020259665	0	39	-1.0	-47.57	321.74	6.02	-41.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020259665	1	39	-1.0	-47.56	321.79	6.05	-41.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020259666	0	46	-1.0	-45.68	372.41	8.89	-36.79
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020259666	1	46	-1.0	-45.69	372.49	8.88	-36.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020259667	0	45	-1.0	-42.49	354.20	7.68	-34.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020259667	1	45	-1.0	-42.51	354.26	7.70	-34.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020259668	0	42	-1.0	-43.72	339.85	6.88	-36.84
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020259668	1	42	-1.0	-43.77	339.91	6.90	-36.87
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCCF)CC1	REAL300020259669	0	49	-1.0	-43.66	392.93	9.57	-34.09
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCCF)CC1	REAL300020259669	1	49	-1.0	-43.59	392.99	9.55	-34.04
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020259670	0	45	-1.0	-42.85	365.74	7.93	-34.92
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020259670	1	45	-1.0	-42.85	365.80	7.94	-34.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020259671	0	42	-1.0	-43.53	351.39	7.12	-36.41
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020259671	1	42	-1.0	-43.58	351.45	7.15	-36.43
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020259672	0	43	-1.0	-43.20	369.83	9.49	-33.71
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020259672	1	43	-1.0	-43.21	369.89	9.50	-33.71
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020259673	0	40	-1.0	-44.26	349.04	8.46	-35.80
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020259673	1	40	-1.0	-44.26	349.09	8.48	-35.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020259674	0	42	-1.0	-41.08	345.00	6.87	-34.21
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020259674	1	42	-1.0	-41.09	345.06	6.89	-34.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020259675	0	39	-1.0	-41.96	324.58	6.09	-35.87
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020259675	1	39	-1.0	-41.95	324.63	6.11	-35.84
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020259676	0	46	-1.0	-44.18	374.81	9.17	-35.01
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020259676	1	46	-1.0	-44.16	374.85	9.16	-35.00
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020259677	0	50	-1.0	-40.15	384.81	6.91	-33.24
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020259677	1	50	-1.0	-40.11	384.86	6.92	-33.19
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020259678	0	47	-1.0	-42.73	362.24	6.10	-36.63
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020259678	1	47	-1.0	-42.72	362.29	6.12	-36.60
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020259679	0	54	-1.0	-42.27	415.63	8.99	-33.28
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020259679	1	54	-1.0	-42.28	415.68	8.98	-33.30
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020259680	0	40	-1.0	-46.74	322.78	2.17	-44.57
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020259680	1	40	-1.0	-46.76	322.83	2.18	-44.58
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020259681	0	44	-1.0	-46.98	361.51	4.06	-42.92
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020259681	1	44	-1.0	-46.86	361.57	4.04	-42.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020259682	0	45	-1.0	-48.48	363.68	3.23	-45.25
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020259682	1	45	-1.0	-48.46	363.74	3.24	-45.22
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020259683	0	42	-1.0	-48.34	342.19	2.43	-45.91
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020259683	1	42	-1.0	-48.30	342.24	2.46	-45.84
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020259684	0	42	-1.0	-40.42	344.18	6.87	-33.55
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020259684	1	42	-1.0	-40.42	344.24	6.88	-33.54
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020259685	0	39	-1.0	-41.94	318.67	5.71	-36.23
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020259685	1	39	-1.0	-41.99	318.73	5.73	-36.26
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020259686	0	46	-1.0	-44.48	368.66	9.44	-35.04
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020259686	1	46	-1.0	-44.54	368.68	9.44	-35.10
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020259687	0	40	-1.0	-46.24	324.08	2.87	-43.37
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020259687	1	40	-1.0	-46.25	324.14	2.89	-43.36
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(CO)CC1	REAL300020259688	0	44	-1.0	-47.51	354.92	4.94	-42.57
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(CO)CC1	REAL300020259688	1	44	-1.0	-47.50	354.94	4.94	-42.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(Cl)C=CC=C1Cl	REAL300020259689	0	43	-1.0	-42.43	372.00	10.10	-32.33
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(Cl)C=CC=C1Cl	REAL300020259689	1	43	-1.0	-42.44	372.05	10.11	-32.33
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(Cl)C=CC=C1Cl	REAL300020259690	0	40	-1.0	-43.05	328.02	6.67	-36.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(Cl)C=CC=C1Cl	REAL300020259690	1	40	-1.0	-43.06	328.10	6.69	-36.37
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Br)C=C2CC1	REAL300020259691	0	40	-1.0	-42.96	332.70	6.99	-35.97
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Br)C=C2CC1	REAL300020259691	1	40	-1.0	-42.99	332.76	7.01	-35.98
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259692	0	43	-1.0	-46.16	355.45	5.79	-40.37
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259692	1	43	-1.0	-46.10	355.50	5.80	-40.30
CCOC(=O)C1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259693	0	40	-1.0	-48.50	333.96	5.00	-43.50
CCOC(=O)C1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259693	1	40	-1.0	-48.47	334.02	5.02	-43.45
CCOC(=O)C1=CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259694	0	47	-1.0	-48.85	386.09	7.85	-41.00
CCOC(=O)C1=CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259694	1	47	-1.0	-48.80	386.16	7.83	-40.97
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020259695	0	43	-1.0	-42.21	347.69	8.18	-34.03
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020259695	1	43	-1.0	-42.22	347.74	8.19	-34.03
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020259696	0	40	-1.0	-44.33	327.19	7.44	-36.89
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020259696	1	40	-1.0	-44.33	327.13	7.42	-36.91
CC1=CC=C(F)C2=C1CCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020259697	0	47	-1.0	-45.29	375.71	9.70	-35.59
CC1=CC=C(F)C2=C1CCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020259697	1	47	-1.0	-45.29	375.75	9.69	-35.60
CO[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259698	0	44	-1.0	-44.19	357.24	6.66	-37.53
CO[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259698	1	44	-1.0	-44.17	357.27	6.65	-37.52
COC(=O)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259699	0	40	-1.0	-42.86	334.24	6.00	-36.86
COC(=O)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259699	1	40	-1.0	-42.83	334.30	6.01	-36.82
COC(=O)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259700	0	37	-1.0	-45.07	312.75	5.21	-39.86
COC(=O)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259700	1	37	-1.0	-45.05	312.80	5.24	-39.81
COC(=O)C1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC1	REAL300020259701	0	44	-1.0	-45.56	365.34	8.09	-37.47
COC(=O)C1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC1	REAL300020259701	1	44	-1.0	-45.58	365.14	8.08	-37.50
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020259702	0	44	-1.0	-42.59	358.46	6.55	-36.04
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020259702	1	44	-1.0	-42.64	358.50	6.53	-36.11
CO[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259703	0	44	-1.0	-45.26	351.40	6.61	-38.65
CO[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259703	1	44	-1.0	-45.26	351.42	6.60	-38.66
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020259704	0	41	-1.0	-41.88	329.83	2.55	-39.33
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020259704	1	41	-1.0	-41.89	329.89	2.57	-39.32
COC[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020259705	0	45	-1.0	-44.39	360.80	4.62	-39.77
COC[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020259705	1	45	-1.0	-44.39	360.83	4.61	-39.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020259706	0	45	-1.0	-42.49	372.33	7.66	-34.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020259706	1	45	-1.0	-42.49	372.39	7.67	-34.82
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020259707	0	42	-1.0	-46.26	345.30	7.14	-39.12
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020259707	1	42	-1.0	-46.26	345.36	7.16	-39.10
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CCO1	REAL300020259708	0	41	-1.0	-41.33	340.32	2.85	-38.48
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CCO1	REAL300020259708	1	41	-1.0	-41.34	340.38	2.87	-38.47
COC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CCO1	REAL300020259709	0	45	-1.0	-44.22	366.58	5.10	-39.12
COC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CCO1	REAL300020259709	1	45	-1.0	-44.22	366.62	5.09	-39.13
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NOC(C3CCCC3)=N2)C1	REAL300020259710	0	49	-1.0	-48.54	394.81	3.96	-44.58
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NOC(C3CCCC3)=N2)C1	REAL300020259710	1	49	-1.0	-48.55	394.87	3.98	-44.57
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300020259711	0	54	-1.0	-50.90	413.93	8.08	-42.82
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300020259711	1	54	-1.0	-50.89	413.99	8.09	-42.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300020259712	0	51	-1.0	-53.98	392.45	7.28	-46.70
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300020259712	1	51	-1.0	-53.99	392.51	7.31	-46.68
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300020259713	0	50	-1.0	-49.68	410.18	8.24	-41.44
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300020259713	1	50	-1.0	-49.66	410.24	8.25	-41.41
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300020259714	0	47	-1.0	-52.10	388.69	7.46	-44.64
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300020259714	1	47	-1.0	-52.14	388.74	7.48	-44.66
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020259715	0	42	-1.0	-40.84	341.53	5.24	-35.60
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020259715	1	42	-1.0	-40.85	341.59	5.26	-35.59
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020259716	0	39	-1.0	-43.29	320.09	4.48	-38.81
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020259716	1	39	-1.0	-43.27	320.03	4.46	-38.81
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020259717	0	46	-1.0	-43.87	367.67	7.50	-36.37
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020259717	1	46	-1.0	-43.85	367.70	7.48	-36.37
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NOC(C(F)(F)F)=N2)C1	REAL300020259718	0	44	-1.0	-41.58	385.47	4.52	-37.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NOC(C(F)(F)F)=N2)C1	REAL300020259718	1	44	-1.0	-41.61	385.53	4.53	-37.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NOC(C(F)(F)F)=N2)C1	REAL300020259719	0	41	-1.0	-43.24	364.49	3.97	-39.27
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NOC(C(F)(F)F)=N2)C1	REAL300020259719	1	41	-1.0	-43.25	364.55	3.99	-39.26
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCNC(=O)OC(C)(C)C)CC1	REAL300020259720	0	55	-1.0	-48.02	427.48	2.69	-45.33
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCNC(=O)OC(C)(C)C)CC1	REAL300020259720	1	55	-1.0	-48.06	427.54	2.71	-45.35
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1	REAL300020259721	0	54	-1.0	-45.95	421.26	7.20	-38.75
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1	REAL300020259721	1	54	-1.0	-45.96	421.31	7.23	-38.73
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C)C1NC(=O)OC(C)(C)C	REAL300020259722	0	56	-1.0	-44.32	418.71	6.28	-38.04
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C)C1NC(=O)OC(C)(C)C	REAL300020259722	1	56	-1.0	-44.35	418.77	6.31	-38.04
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C(F)=C2)CC1	REAL300020259723	0	47	-1.0	-45.26	388.99	6.03	-39.23
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C(F)=C2)CC1	REAL300020259723	1	47	-1.0	-45.32	389.05	6.05	-39.27
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C(F)=C2)CC1	REAL300020259724	0	44	-1.0	-47.14	367.51	5.25	-41.89
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C(F)=C2)CC1	REAL300020259724	1	44	-1.0	-47.13	367.57	5.27	-41.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)N(C(=O)OC(C)(C)C)C2	REAL300020259725	0	54	-1.0	-50.08	410.51	7.45	-42.63
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)N(C(=O)OC(C)(C)C)C2	REAL300020259725	1	54	-1.0	-50.11	410.57	7.46	-42.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)N(C(=O)OC(C)(C)C)C2	REAL300020259726	0	51	-1.0	-45.40	399.17	6.95	-38.45
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)N(C(=O)OC(C)(C)C)C2	REAL300020259726	1	51	-1.0	-45.43	399.22	6.98	-38.45
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CNC(=O)OC(C)(C)C)CC1	REAL300020259727	0	53	-1.0	-47.06	422.09	5.26	-41.80
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CNC(=O)OC(C)(C)C)CC1	REAL300020259727	1	53	-1.0	-47.03	422.15	5.29	-41.74
CC1=CC=C(F)C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1F	REAL300020259728	0	46	-1.0	-43.01	383.78	9.51	-33.50
CC1=CC=C(F)C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1F	REAL300020259728	1	46	-1.0	-43.05	383.83	9.52	-33.53
CC1=CC=C(F)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C)=C1F	REAL300020259729	0	43	-1.0	-47.75	359.41	8.98	-38.77
CC1=CC=C(F)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C)=C1F	REAL300020259729	1	43	-1.0	-47.79	359.47	9.01	-38.78
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020259730	0	41	-1.0	-42.68	331.79	6.69	-35.99
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020259730	1	41	-1.0	-42.67	331.68	6.64	-36.03
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020259731	0	42	-1.0	-46.86	336.08	1.96	-44.90
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020259731	1	42	-1.0	-46.88	336.14	1.98	-44.90
CC1NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020259732	0	39	-1.0	-45.52	317.25	1.27	-44.25
CC1NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020259732	1	39	-1.0	-45.53	317.31	1.30	-44.23
CC1NC(=O)OC12CCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020259733	0	46	-1.0	-49.03	368.17	4.04	-44.99
CC1NC(=O)OC12CCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020259733	1	46	-1.0	-48.99	368.22	4.03	-44.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020259734	0	48	-1.0	-47.09	375.76	2.23	-44.86
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020259734	1	48	-1.0	-47.10	375.82	2.24	-44.86
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020259735	0	45	-1.0	-49.82	354.26	1.44	-48.38
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020259735	1	45	-1.0	-49.82	354.32	1.47	-48.35
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(S(C)(=O)=O)=C2C1	REAL300020259736	0	43	-1.0	-49.33	364.88	1.48	-47.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(S(C)(=O)=O)=C2C1	REAL300020259736	1	43	-1.0	-49.29	364.94	1.50	-47.79
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(S(C)(=O)=O)=C2C1	REAL300020259737	0	40	-1.0	-49.27	351.35	0.83	-48.44
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(S(C)(=O)=O)=C2C1	REAL300020259737	1	40	-1.0	-49.32	351.40	0.86	-48.46
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020259738	0	50	-1.0	-42.46	374.44	5.38	-37.08
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020259738	1	50	-1.0	-42.47	374.49	5.40	-37.07
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020259739	0	47	-1.0	-47.41	353.36	4.68	-42.73
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020259739	1	47	-1.0	-47.40	353.43	4.70	-42.70
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020259740	0	54	-1.0	-45.01	406.83	7.59	-37.42
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020259740	1	54	-1.0	-45.01	406.86	7.58	-37.43
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259741	0	49	-1.0	-47.35	388.65	5.99	-41.36
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259741	1	49	-1.0	-47.40	388.71	6.00	-41.40
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259742	0	46	-1.0	-49.17	366.49	5.17	-44.00
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259742	1	46	-1.0	-49.16	366.55	5.20	-43.96
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020259743	0	39	-1.0	-50.77	318.97	1.71	-49.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020259743	1	39	-1.0	-50.75	319.02	1.72	-49.03
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020259744	0	36	-1.0	-51.13	303.33	0.86	-50.27
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020259744	1	36	-1.0	-51.12	303.39	0.88	-50.24
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020259745	0	43	-1.0	-53.01	355.44	3.79	-49.22
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020259745	1	43	-1.0	-52.99	355.47	3.78	-49.21
CCOC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259746	0	48	-1.0	-44.63	377.41	7.12	-37.51
CCOC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259746	1	48	-1.0	-44.62	377.47	7.13	-37.49
CCOC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259747	0	45	-1.0	-45.54	360.61	6.92	-38.62
CCOC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259747	1	45	-1.0	-45.51	360.66	6.95	-38.56
CCOC(=O)CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259748	0	52	-1.0	-47.07	409.40	9.23	-37.84
CCOC(=O)CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259748	1	52	-1.0	-47.02	409.43	9.21	-37.81
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020259749	0	46	-1.0	-41.13	382.88	9.04	-32.09
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020259749	1	46	-1.0	-41.14	382.93	9.05	-32.09
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020259750	0	43	-1.0	-42.88	361.90	8.05	-34.83
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020259750	1	43	-1.0	-42.92	361.95	8.07	-34.85
CCOC(=O)C1CC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020259751	0	49	-1.0	-45.39	391.24	8.35	-37.04
CCOC(=O)C1CC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020259751	1	49	-1.0	-45.39	391.30	8.37	-37.02
CCOC(=O)C1CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020259752	0	46	-1.0	-48.99	369.75	7.57	-41.42
CCOC(=O)C1CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020259752	1	46	-1.0	-49.02	369.80	7.59	-41.43
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259753	0	40	-1.0	-43.74	322.09	7.42	-36.32
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259753	1	40	-1.0	-43.69	322.11	7.41	-36.28
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020259754	0	48	-1.0	-46.58	377.59	7.20	-39.38
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020259754	1	48	-1.0	-46.55	377.64	7.22	-39.33
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020259755	0	45	-1.0	-48.39	357.06	6.46	-41.93
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020259755	1	45	-1.0	-48.45	357.11	6.48	-41.97
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020259756	0	52	-1.0	-46.03	408.45	9.33	-36.70
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020259756	1	52	-1.0	-45.98	408.50	9.31	-36.67
CCOC(=O)C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)CCC2=NN1C	REAL300020259757	0	49	-1.0	-48.25	396.88	5.72	-42.53
CCOC(=O)C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)CCC2=NN1C	REAL300020259757	1	49	-1.0	-48.27	396.93	5.73	-42.54
CCOC(=O)C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)CCC2=NN1C	REAL300020259758	0	46	-1.0	-49.89	376.39	4.96	-44.93
CCOC(=O)C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)CCC2=NN1C	REAL300020259758	1	46	-1.0	-49.92	376.45	4.98	-44.94
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC(C)(C)O1	REAL300020259759	0	46	-1.0	-44.10	378.34	5.88	-38.22
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC(C)(C)O1	REAL300020259759	1	46	-1.0	-44.12	378.40	5.89	-38.23
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC(C)(C)O1	REAL300020259760	0	43	-1.0	-45.69	356.84	5.10	-40.59
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC(C)(C)O1	REAL300020259760	1	43	-1.0	-45.65	356.90	5.12	-40.53
COC(=O)C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)CC(C)(C)O1	REAL300020259761	0	50	-1.0	-47.07	402.90	8.19	-38.88
COC(=O)C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)CC(C)(C)O1	REAL300020259761	1	50	-1.0	-47.01	402.94	8.18	-38.83
COC(=O)C1(C(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259762	0	45	-1.0	-45.59	372.96	6.64	-38.95
COC(=O)C1(C(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259762	1	45	-1.0	-45.58	373.02	6.66	-38.92
COC(=O)C1(C(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259763	0	42	-1.0	-46.93	350.08	5.88	-41.05
COC(=O)C1(C(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259763	1	42	-1.0	-46.95	350.13	5.90	-41.05
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259764	0	40	-1.0	-43.74	322.09	7.42	-36.32
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259764	1	40	-1.0	-43.69	322.11	7.41	-36.28
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259765	0	45	-1.0	-43.09	367.26	7.16	-35.93
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259765	1	45	-1.0	-43.10	367.32	7.17	-35.93
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259766	0	42	-1.0	-46.59	347.76	6.42	-40.17
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259766	1	42	-1.0	-46.61	347.82	6.45	-40.16
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020259767	0	43	-1.0	-40.10	342.40	7.29	-32.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020259767	1	43	-1.0	-40.07	342.46	7.31	-32.76
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020259768	0	40	-1.0	-43.77	317.38	5.98	-37.79
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020259768	1	40	-1.0	-43.75	317.44	6.00	-37.75
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020259769	0	47	-1.0	-45.40	370.12	8.84	-36.56
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020259769	1	47	-1.0	-45.40	370.14	8.84	-36.56
COC(=O)C1COC2(C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020259770	0	50	-1.0	-46.15	396.67	6.39	-39.76
COC(=O)C1COC2(C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020259770	1	50	-1.0	-46.16	396.73	6.41	-39.75
COC(=O)C1COC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020259771	0	47	-1.0	-47.96	380.72	5.32	-42.64
COC(=O)C1COC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020259771	1	47	-1.0	-47.93	380.78	5.35	-42.58
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020259772	0	45	-1.0	-47.79	366.86	5.12	-42.67
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020259772	1	45	-1.0	-47.74	366.91	5.13	-42.61
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020259773	0	42	-1.0	-48.60	352.51	4.31	-44.29
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020259773	1	42	-1.0	-48.55	352.56	4.33	-44.22
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020259774	0	49	-1.0	-50.24	399.06	7.23	-43.01
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020259774	1	49	-1.0	-50.20	399.13	7.21	-42.99
COC(=O)[C@@H]1COCC[C@@H]1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259775	0	53	-1.0	-49.92	402.52	7.20	-42.72
COC(=O)[C@@H]1COCC[C@@H]1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259775	1	53	-1.0	-49.92	402.58	7.22	-42.70
COC(=O)C1CC2CC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020259776	0	46	-1.0	-46.27	355.76	8.65	-37.62
COC(=O)C1CC2CC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020259776	1	46	-1.0	-46.31	355.82	8.66	-37.65
COC(=O)C1CC2CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020259777	0	43	-1.0	-50.76	336.24	7.71	-43.05
COC(=O)C1CC2CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020259777	1	43	-1.0	-50.71	336.30	7.74	-42.97
COC(=O)C1CC2CC1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)C2	REAL300020259778	0	50	-1.0	-46.26	391.58	10.70	-35.56
COC(=O)C1CC2CC1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)C2	REAL300020259778	1	50	-1.0	-46.23	391.60	10.70	-35.53
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020259779	0	52	-1.0	-41.37	396.94	7.32	-34.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020259779	1	52	-1.0	-41.39	397.00	7.34	-34.05
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020259780	0	49	-1.0	-42.86	382.59	6.52	-36.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020259780	1	49	-1.0	-42.86	382.65	6.54	-36.32
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020259781	0	56	-1.0	-42.85	435.68	9.22	-33.63
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020259781	1	56	-1.0	-42.75	435.74	9.20	-33.55
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020259782	0	52	-1.0	-40.84	396.95	7.31	-33.53
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020259782	1	52	-1.0	-40.80	397.01	7.33	-33.47
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020259783	0	49	-1.0	-41.75	383.12	6.30	-35.45
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020259783	1	49	-1.0	-41.79	383.18	6.32	-35.47
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020259784	0	56	-1.0	-43.29	428.88	9.42	-33.87
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020259784	1	56	-1.0	-43.23	428.91	9.41	-33.82
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020259785	0	45	-1.0	-47.97	367.62	5.12	-42.85
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020259785	1	45	-1.0	-47.98	367.68	5.13	-42.85
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020259786	0	42	-1.0	-50.34	346.12	4.33	-46.01
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020259786	1	42	-1.0	-50.32	346.18	4.36	-45.96
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020259787	0	49	-1.0	-50.08	402.89	7.14	-42.94
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020259787	1	49	-1.0	-50.02	402.95	7.13	-42.89
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020259788	0	44	-1.0	-42.22	344.66	5.26	-36.96
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020259788	1	44	-1.0	-42.23	344.72	5.27	-36.96
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020259789	0	41	-1.0	-43.76	324.10	4.51	-39.25
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020259789	1	41	-1.0	-43.77	324.16	4.54	-39.23
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020259790	0	48	-1.0	-44.91	383.03	7.13	-37.78
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020259790	1	48	-1.0	-44.91	383.07	7.12	-37.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020259791	0	42	-1.0	-43.09	340.36	5.51	-37.58
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020259791	1	42	-1.0	-43.15	340.41	5.52	-37.63
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020259792	0	39	-1.0	-45.70	318.85	4.72	-40.98
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020259792	1	39	-1.0	-45.72	318.90	4.75	-40.97
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020259793	0	46	-1.0	-45.35	366.90	7.55	-37.80
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020259793	1	46	-1.0	-45.34	366.94	7.54	-37.80
CCN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259794	0	46	-1.0	-41.41	363.38	5.59	-35.82
CCN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259794	1	46	-1.0	-41.38	363.44	5.61	-35.77
CCN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259795	0	43	-1.0	-43.33	343.26	4.55	-38.78
CCN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259795	1	43	-1.0	-43.29	343.32	4.57	-38.72
CCN(CC1CCOCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259796	0	50	-1.0	-43.49	395.46	7.73	-35.76
CCN(CC1CCOCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259796	1	50	-1.0	-43.39	395.51	7.72	-35.67
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020259797	0	48	-1.0	-52.23	374.71	3.49	-48.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020259797	1	48	-1.0	-52.21	374.76	3.51	-48.70
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020259798	0	45	-1.0	-54.77	353.19	2.71	-52.06
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020259798	1	45	-1.0	-54.82	353.25	2.73	-52.09
CC1=CSC(CCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=N1	REAL300020259799	0	41	-1.0	-43.18	358.84	5.47	-37.71
CC1=CSC(CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=N1	REAL300020259799	1	41	-1.0	-43.17	358.90	5.48	-37.69
CC1=CSC(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=N1	REAL300020259800	0	38	-1.0	-44.88	337.29	4.71	-40.17
CC1=CSC(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=N1	REAL300020259800	1	38	-1.0	-44.87	337.35	4.74	-40.13
CC1=CSC(CCN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=N1	REAL300020259801	0	45	-1.0	-45.24	389.82	7.57	-37.67
CC1=CSC(CCN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=N1	REAL300020259801	1	45	-1.0	-45.21	389.88	7.56	-37.65
CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)F)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020259802	0	50	-1.0	-49.49	409.03	4.48	-45.01
CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)F)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020259802	1	50	-1.0	-49.45	409.09	4.51	-44.94
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020259803	0	44	-1.0	-47.36	352.89	1.53	-45.83
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020259803	1	44	-1.0	-47.43	352.94	1.55	-45.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020259804	0	41	-1.0	-51.00	331.75	0.70	-50.30
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020259804	1	41	-1.0	-50.96	331.81	0.72	-50.24
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C[C@H]2C1	REAL300020259805	0	46	-1.0	-47.01	368.37	6.87	-40.14
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C[C@H]2C1	REAL300020259805	1	46	-1.0	-47.02	368.43	6.89	-40.13
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)C[C@H]2C1	REAL300020259806	0	43	-1.0	-50.32	347.27	6.12	-44.20
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)C[C@H]2C1	REAL300020259806	1	43	-1.0	-50.32	347.33	6.15	-44.17
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C[C@H]2C1	REAL300020259807	0	50	-1.0	-49.15	399.30	8.95	-40.20
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C[C@H]2C1	REAL300020259807	1	50	-1.0	-49.13	399.34	8.93	-40.20
COC(=O)C1(C2CCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259808	0	49	-1.0	-42.86	384.59	7.31	-35.55
COC(=O)C1(C2CCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259808	1	49	-1.0	-42.89	384.64	7.32	-35.57
COC(=O)C1(C2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259809	0	46	-1.0	-46.53	360.43	6.46	-40.07
COC(=O)C1(C2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259809	1	46	-1.0	-46.53	360.49	6.48	-40.05
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)C(=O)C1	REAL300020259810	0	44	-1.0	-44.40	371.46	6.71	-37.69
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)C(=O)C1	REAL300020259810	1	44	-1.0	-44.40	371.51	6.72	-37.68
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)C(=O)C1	REAL300020259811	0	41	-1.0	-49.53	356.47	5.32	-44.21
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)C(=O)C1	REAL300020259811	1	41	-1.0	-49.59	356.52	5.34	-44.25
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(F)C=C2F)C(=O)C1	REAL300020259812	0	44	-1.0	-43.20	371.67	6.65	-36.55
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(F)C=C2F)C(=O)C1	REAL300020259812	1	44	-1.0	-43.26	371.73	6.68	-36.58
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020259813	0	44	-1.0	-43.48	339.72	5.35	-38.13
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020259813	1	44	-1.0	-43.48	339.78	5.36	-38.12
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020259814	0	41	-1.0	-45.04	318.06	4.50	-40.54
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020259814	1	41	-1.0	-45.04	318.12	4.53	-40.51
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020259815	0	48	-1.0	-45.54	370.47	7.42	-38.12
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020259815	1	48	-1.0	-45.50	370.50	7.41	-38.09
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020259816	0	36	-1.0	-40.61	313.57	5.55	-35.06
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020259816	1	36	-1.0	-40.58	313.63	5.57	-35.01
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020259817	0	33	-1.0	-41.60	283.87	4.04	-37.56
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020259817	1	33	-1.0	-41.62	283.93	4.06	-37.56
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020259818	0	40	-1.0	-43.72	347.20	7.73	-35.99
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020259818	1	40	-1.0	-43.71	347.25	7.71	-36.00
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C[C@@H]21	REAL300020259819	0	44	-1.0	-51.47	353.77	4.41	-47.06
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C[C@@H]21	REAL300020259819	1	44	-1.0	-51.49	353.82	4.42	-47.07
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C)C[C@@H]21	REAL300020259820	0	41	-1.0	-54.45	331.12	3.56	-50.89
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C)C[C@@H]21	REAL300020259820	1	41	-1.0	-54.46	331.18	3.58	-50.88
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C)C[C@@H]21	REAL300020259821	0	48	-1.0	-47.48	377.83	5.95	-41.53
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C)C[C@@H]21	REAL300020259821	1	48	-1.0	-47.47	377.86	5.95	-41.52
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020259822	0	45	-1.0	-45.75	352.29	2.52	-43.23
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020259822	1	45	-1.0	-45.74	352.35	2.54	-43.20
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020259823	0	42	-1.0	-44.85	330.79	1.74	-43.11
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020259823	1	42	-1.0	-44.89	330.85	1.76	-43.13
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020259824	0	49	-1.0	-48.80	385.65	4.70	-44.10
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020259824	1	49	-1.0	-48.77	385.68	4.69	-44.08
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC(Cl)=C1F	REAL300020259825	0	43	-1.0	-41.31	379.65	9.38	-31.93
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC(Cl)=C1F	REAL300020259825	1	43	-1.0	-41.30	379.71	9.39	-31.91
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC(Cl)=C1F	REAL300020259826	0	40	-1.0	-44.76	352.95	8.86	-35.90
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC(Cl)=C1F	REAL300020259826	1	40	-1.0	-44.75	353.01	8.89	-35.86
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020259827	0	48	-1.0	-42.17	354.23	6.51	-35.66
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020259827	1	48	-1.0	-42.18	354.29	6.52	-35.66
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020259828	0	45	-1.0	-45.80	333.72	5.77	-40.03
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020259828	1	45	-1.0	-45.80	333.78	5.79	-40.01
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020259829	0	52	-1.0	-44.56	386.08	8.62	-35.94
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020259829	1	52	-1.0	-44.52	386.11	8.61	-35.91
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020259830	0	52	-1.0	-42.37	398.61	10.13	-32.24
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020259830	1	52	-1.0	-42.42	398.67	10.15	-32.27
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020259831	0	49	-1.0	-44.34	373.93	9.06	-35.28
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020259831	1	49	-1.0	-44.35	373.99	9.09	-35.26
CCOC(=O)C1=NOC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020259832	0	45	-1.0	-48.38	377.89	5.65	-42.73
CCOC(=O)C1=NOC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020259832	1	45	-1.0	-48.38	377.95	5.67	-42.71
CCOC(=O)C1=NOC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020259833	0	42	-1.0	-48.10	355.70	4.84	-43.26
CCOC(=O)C1=NOC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020259833	1	42	-1.0	-48.03	355.76	4.86	-43.17
COC(=O)C1=C(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C)C2)OC=N1	REAL300020259834	0	48	-1.0	-46.43	402.53	4.38	-42.05
COC(=O)C1=C(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C)C2)OC=N1	REAL300020259834	1	48	-1.0	-46.44	402.48	4.36	-42.08
COC(=O)C1=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C)C2)OC=N1	REAL300020259835	0	45	-1.0	-47.50	381.06	3.60	-43.90
COC(=O)C1=C(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C)C2)OC=N1	REAL300020259835	1	45	-1.0	-47.49	381.00	3.58	-43.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020259836	0	50	-1.0	-40.93	371.06	3.97	-36.96
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020259836	1	50	-1.0	-40.96	371.12	3.99	-36.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020259837	0	47	-1.0	-42.84	348.92	3.71	-39.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020259837	1	47	-1.0	-42.90	348.98	3.73	-39.17
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020259838	0	54	-1.0	-43.10	401.32	6.54	-36.56
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020259838	1	54	-1.0	-43.08	401.36	6.54	-36.54
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020259839	0	47	-1.0	-41.75	352.53	4.19	-37.56
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020259839	1	47	-1.0	-41.77	352.58	4.20	-37.57
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020259840	0	44	-1.0	-43.36	329.50	3.41	-39.95
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020259840	1	44	-1.0	-43.41	329.56	3.43	-39.98
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020259841	0	51	-1.0	-43.25	389.38	6.49	-36.76
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020259841	1	51	-1.0	-43.61	388.29	6.49	-37.12
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C)=N1	REAL300020259842	0	39	-1.0	-44.42	330.79	7.99	-36.43
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C)=N1	REAL300020259842	1	39	-1.0	-44.39	330.73	7.97	-36.42
CCCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=N1	REAL300020259843	0	43	-1.0	-46.76	361.56	10.04	-36.72
CCCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=N1	REAL300020259843	1	43	-1.0	-46.80	361.50	10.05	-36.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020259844	0	44	-1.0	-46.04	351.96	5.77	-40.27
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020259844	1	44	-1.0	-46.10	352.02	5.79	-40.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020259845	0	41	-1.0	-46.11	330.47	4.98	-41.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020259845	1	41	-1.0	-46.09	330.52	5.00	-41.09
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020259846	0	48	-1.0	-49.07	384.18	7.88	-41.19
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020259846	1	48	-1.0	-48.98	384.25	7.86	-41.12
COC1=CC=CC(OC)=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259847	0	51	-1.0	-42.30	401.91	7.03	-35.27
COC1=CC=CC(OC)=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259847	1	51	-1.0	-42.32	401.96	7.04	-35.28
COC1=CC=CC(OC)=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259848	0	48	-1.0	-44.98	381.48	6.26	-38.72
COC1=CC=CC(OC)=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259848	1	48	-1.0	-45.00	381.53	6.29	-38.71
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300020259849	0	47	-1.0	-45.34	378.92	8.31	-37.03
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300020259849	1	47	-1.0	-45.30	378.98	8.33	-36.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300020259850	0	44	-1.0	-50.99	357.87	7.42	-43.57
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300020259850	1	44	-1.0	-50.99	357.92	7.44	-43.55
COC(=O)COC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C)=C1	REAL300020259851	0	49	-1.0	-47.69	407.94	8.05	-39.64
COC(=O)COC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C)=C1	REAL300020259851	1	49	-1.0	-47.69	408.00	8.07	-39.62
COC(=O)COC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C)=C1	REAL300020259852	0	46	-1.0	-49.79	387.36	7.30	-42.49
COC(=O)COC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C)=C1	REAL300020259852	1	46	-1.0	-49.76	387.42	7.33	-42.43
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020259853	0	42	-1.0	-44.86	328.06	7.49	-37.37
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020259853	1	42	-1.0	-44.83	328.09	7.47	-37.36
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020259854	0	44	-1.0	-40.44	351.65	9.21	-31.23
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020259854	1	44	-1.0	-40.40	351.71	9.23	-31.17
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020259855	0	41	-1.0	-46.57	303.64	6.69	-39.88
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020259855	1	41	-1.0	-46.64	303.58	6.66	-39.98
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020259856	0	48	-1.0	-44.92	355.85	9.52	-35.40
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020259856	1	48	-1.0	-44.88	355.89	9.51	-35.37
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020259857	0	42	-1.0	-40.15	336.41	5.00	-35.15
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020259857	1	42	-1.0	-40.20	336.47	5.02	-35.18
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020259858	0	39	-1.0	-42.48	310.85	4.41	-38.07
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020259858	1	39	-1.0	-42.49	310.90	4.43	-38.06
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020259859	0	46	-1.0	-42.26	367.22	7.08	-35.18
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020259859	1	46	-1.0	-42.23	367.26	7.05	-35.18
CCOC(=O)CC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020259860	0	52	-1.0	-44.49	416.20	8.51	-35.98
CCOC(=O)CC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020259860	1	52	-1.0	-44.43	416.26	8.53	-35.90
CCOC(=O)CC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020259861	0	49	-1.0	-46.95	394.70	7.71	-39.24
CCOC(=O)CC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020259861	1	49	-1.0	-46.99	394.75	7.73	-39.26
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020259862	0	41	-1.0	-41.50	306.60	2.40	-39.10
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020259862	1	41	-1.0	-41.51	306.65	2.41	-39.10
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020259863	0	45	-1.0	-42.98	344.24	4.56	-38.42
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020259863	1	45	-1.0	-42.98	344.29	4.55	-38.43
CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(C2=CC=CC=C2)N=C1)C1CC1	REAL300020259864	0	50	-1.0	-44.50	413.51	9.94	-34.56
CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(C2=CC=CC=C2)N=C1)C1CC1	REAL300020259864	1	50	-1.0	-44.50	413.45	9.92	-34.58
CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C2=CC=CC=C2)N=C1)C1CC1	REAL300020259865	0	47	-1.0	-48.28	393.00	9.20	-39.08
CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C2=CC=CC=C2)N=C1)C1CC1	REAL300020259865	1	47	-1.0	-48.29	392.94	9.17	-39.12
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C(C(F)(F)F)=NNC2=O	REAL300020259866	0	42	-1.0	-40.79	365.50	3.77	-37.02
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C(C(F)(F)F)=NNC2=O	REAL300020259866	1	42	-1.0	-40.76	365.56	3.79	-36.97
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C(C(F)(F)F)=NNC2=O	REAL300020259867	0	39	-1.0	-42.70	343.07	2.92	-39.78
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C(C(F)(F)F)=NNC2=O	REAL300020259867	1	39	-1.0	-42.72	343.13	2.94	-39.78
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020259868	0	50	-1.0	-42.25	359.94	6.84	-35.41
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020259868	1	50	-1.0	-42.24	360.00	6.86	-35.38
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020259869	0	47	-1.0	-45.19	338.42	5.85	-39.34
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020259869	1	47	-1.0	-45.21	338.48	5.87	-39.34
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020259870	0	54	-1.0	-43.54	392.07	8.71	-34.83
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020259870	1	54	-1.0	-43.53	392.12	8.70	-34.83
CCCOC(=O)NCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259871	0	49	-1.0	-45.71	406.26	4.18	-41.53
CCCOC(=O)NCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259871	1	49	-1.0	-45.70	406.32	4.20	-41.50
CCCOC(=O)NCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259872	0	46	-1.0	-46.85	385.79	3.45	-43.40
CCCOC(=O)NCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259872	1	46	-1.0	-46.88	385.84	3.48	-43.40
CCCOC(=O)NCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259873	0	53	-1.0	-47.93	438.44	6.30	-41.63
CCCOC(=O)NCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259873	1	53	-1.0	-47.88	438.49	6.29	-41.59
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020259874	0	41	-1.0	-39.68	331.98	6.94	-32.74
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020259874	1	41	-1.0	-39.71	332.04	6.95	-32.76
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020259875	0	45	-1.0	-42.99	357.93	9.44	-33.55
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020259875	1	45	-1.0	-43.00	357.98	9.42	-33.58
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020259876	0	43	-1.0	-41.09	355.39	8.17	-32.92
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020259876	1	43	-1.0	-41.09	355.45	8.19	-32.90
CN(C1=NN=C(CC2=NN=N[N-]2)N1C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020259877	0	40	-1.0	-44.70	332.86	7.40	-37.30
CN(C1=NN=C(CC2=N[N-]N=N2)N1C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020259877	1	40	-1.0	-44.66	332.80	7.37	-37.29
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020259878	0	47	-1.0	-44.43	385.38	10.64	-33.79
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020259878	1	47	-1.0	-44.43	385.43	10.63	-33.80
CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259879	0	48	-1.0	-41.51	383.33	8.18	-33.33
CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259879	1	48	-1.0	-41.52	383.38	8.20	-33.32
CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259880	0	45	-1.0	-43.97	362.87	7.42	-36.55
CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259880	1	45	-1.0	-43.95	362.93	7.45	-36.50
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020259881	0	43	-1.0	-42.11	333.58	6.87	-35.24
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020259881	1	43	-1.0	-42.13	333.63	6.88	-35.25
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020259882	0	47	-1.0	-44.06	363.18	8.87	-35.19
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020259882	1	47	-1.0	-44.04	363.24	8.85	-35.19
CCC(O)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259883	0	46	-1.0	-45.78	366.91	5.45	-40.33
CCC(O)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259883	1	46	-1.0	-45.76	366.97	5.44	-40.32
CCN(CCCCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259884	0	46	-1.0	-46.67	365.68	4.31	-42.36
CCN(CCCCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259884	1	46	-1.0	-46.64	365.70	4.31	-42.33
CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020259885	0	44	-1.0	-42.92	361.88	9.04	-33.88
CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020259885	1	44	-1.0	-42.96	361.82	9.02	-33.94
CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020259886	0	41	-1.0	-49.43	340.36	8.25	-41.18
CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020259886	1	41	-1.0	-49.43	340.30	8.23	-41.20
CN1C(NC2=CC=CC(OC3CCC3)=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020259887	0	48	-1.0	-50.09	393.78	11.12	-38.97
CN1C(NC2=CC=CC(OC3CCC3)=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020259887	1	48	-1.0	-50.15	393.74	11.13	-39.02
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020259888	0	38	-1.0	-43.24	314.02	4.36	-38.88
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020259888	1	38	-1.0	-43.24	314.08	4.37	-38.87
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020259889	0	42	-1.0	-45.69	346.11	6.47	-39.22
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020259889	1	42	-1.0	-45.64	346.15	6.46	-39.18
CC1=NOC2(C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)CC2	REAL300020259890	0	44	-1.0	-48.43	358.27	5.67	-42.76
CC1=NOC2(C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)CC2	REAL300020259890	1	44	-1.0	-48.47	358.33	5.69	-42.78
CC1=NOC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)CC2	REAL300020259891	0	41	-1.0	-52.63	329.57	4.92	-47.71
CC1=NOC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)CC2	REAL300020259891	1	41	-1.0	-52.64	329.63	4.95	-47.69
CC1=NOC2(C1)CCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C)CC2	REAL300020259892	0	48	-1.0	-49.96	390.21	7.76	-42.20
CC1=NOC2(C1)CCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C)CC2	REAL300020259892	1	48	-1.0	-49.91	390.24	7.75	-42.16
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC(Br)=CC=C2C1	REAL300020259893	0	40	-1.0	-41.71	347.53	7.70	-34.01
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC(Br)=CC=C2C1	REAL300020259893	1	40	-1.0	-41.76	347.59	7.73	-34.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020259894	0	43	-1.0	-43.89	352.86	6.84	-37.05
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020259894	1	43	-1.0	-43.93	352.92	6.85	-37.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020259895	0	40	-1.0	-46.34	332.42	6.08	-40.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020259895	1	40	-1.0	-46.35	332.48	6.10	-40.25
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020259896	0	47	-1.0	-46.39	384.31	9.05	-37.34
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020259896	1	47	-1.0	-46.34	384.35	9.04	-37.30
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020259897	0	48	-1.0	-52.00	364.69	0.96	-51.04
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020259897	1	48	-1.0	-51.96	364.75	0.97	-50.99
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020259898	0	45	-1.0	-54.25	350.30	0.15	-54.10
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020259898	1	45	-1.0	-54.22	350.36	0.18	-54.04
COC(=O)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259899	0	45	-1.0	-46.06	371.14	6.75	-39.31
COC(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259899	1	45	-1.0	-46.05	371.20	6.77	-39.28
COC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259900	0	42	-1.0	-50.12	339.08	5.39	-44.73
COC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259900	1	42	-1.0	-50.14	339.13	5.41	-44.73
COC(=O)CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259901	0	49	-1.0	-48.77	398.60	8.88	-39.89
COC(=O)CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259901	1	49	-1.0	-48.80	398.66	8.86	-39.94
CCN(CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C)C1=CC=CC=C1	REAL300020259902	0	53	-1.0	-40.71	426.02	9.39	-31.32
CCN(CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C)C1=CC=CC=C1	REAL300020259902	1	53	-1.0	-40.68	426.08	9.40	-31.28
CCN(CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C)C1=CC=CC=C1	REAL300020259903	0	50	-1.0	-42.72	404.52	8.61	-34.11
CCN(CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C)C1=CC=CC=C1	REAL300020259903	1	50	-1.0	-42.70	404.57	8.64	-34.06
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020259904	0	43	-1.0	-42.78	345.54	8.18	-34.60
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020259904	1	43	-1.0	-42.83	345.59	8.19	-34.64
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020259905	0	40	-1.0	-45.01	331.75	6.54	-38.47
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020259905	1	40	-1.0	-44.98	331.69	6.51	-38.47
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C	REAL300020259906	0	47	-1.0	-44.92	376.48	8.99	-35.93
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C	REAL300020259906	1	47	-1.0	-44.90	376.53	8.99	-35.91
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020259907	0	37	-1.0	-47.22	319.27	0.71	-46.51
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020259907	1	37	-1.0	-47.21	319.33	0.73	-46.48
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020259908	0	34	-1.0	-47.25	297.83	-0.05	-47.30
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020259908	1	34	-1.0	-47.26	297.77	-0.07	-47.33
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020259909	0	41	-1.0	-50.24	350.52	2.79	-47.45
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020259909	1	41	-1.0	-50.19	350.57	2.79	-47.40
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Br)C=C2C1	REAL300020259910	0	40	-1.0	-42.67	346.55	7.05	-35.62
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Br)C=C2C1	REAL300020259910	1	40	-1.0	-42.65	346.61	7.07	-35.58
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Br)C=C2C1	REAL300020259911	0	37	-1.0	-45.01	325.05	6.28	-38.73
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Br)C=C2C1	REAL300020259911	1	37	-1.0	-45.05	325.10	6.30	-38.75
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020259912	0	42	-1.0	-41.96	342.10	2.66	-39.30
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020259912	1	42	-1.0	-41.96	342.16	2.67	-39.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020259913	0	39	-1.0	-43.83	315.10	2.12	-41.71
CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020259913	1	39	-1.0	-43.83	315.16	2.14	-41.69
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020259914	0	46	-1.0	-44.86	367.70	4.96	-39.90
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020259914	1	46	-1.0	-44.87	367.74	4.96	-39.91
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020259915	0	41	-1.0	-44.04	332.40	8.50	-35.54
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020259915	1	41	-1.0	-44.03	332.46	8.50	-35.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020259916	0	39	-1.0	-46.79	314.99	5.01	-41.78
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020259916	1	39	-1.0	-46.80	315.03	5.01	-41.79
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020259917	0	43	-1.0	-49.65	340.56	1.62	-48.03
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020259917	1	43	-1.0	-49.67	340.62	1.63	-48.04
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020259918	0	40	-1.0	-52.49	317.97	0.80	-51.69
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020259918	1	40	-1.0	-52.49	318.03	0.82	-51.67
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020259919	0	47	-1.0	-52.40	371.38	3.71	-48.69
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020259919	1	47	-1.0	-52.34	371.42	3.70	-48.64
CN(C(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1)C1=CC=CC=N1	REAL300020259920	0	52	-1.0	-56.66	414.77	8.20	-48.46
CN(C(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1)C1=CC=CC=N1	REAL300020259920	1	52	-1.0	-56.63	414.72	8.19	-48.44
CN(C(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1)C1=CC=CC=N1	REAL300020259921	0	49	-1.0	-58.13	391.91	6.76	-51.37
CN(C(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1)C1=CC=CC=N1	REAL300020259921	1	49	-1.0	-58.13	391.86	6.73	-51.40
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Br)=C(F)C=C2C1	REAL300020259922	0	37	-1.0	-45.45	330.77	6.32	-39.13
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Br)=C(F)C=C2C1	REAL300020259922	1	37	-1.0	-45.38	330.83	6.33	-39.05
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1F	REAL300020259923	0	42	-1.0	-42.50	347.41	6.23	-36.27
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1F	REAL300020259923	1	42	-1.0	-42.58	347.46	6.25	-36.33
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1F	REAL300020259924	0	39	-1.0	-45.92	332.09	5.14	-40.78
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1F	REAL300020259924	1	39	-1.0	-45.91	332.14	5.16	-40.75
COC(=O)[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H]1F	REAL300020259925	0	46	-1.0	-45.46	380.67	8.20	-37.26
COC(=O)[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H]1F	REAL300020259925	1	46	-1.0	-45.47	380.71	8.19	-37.28
COC(=O)C1=CC(F)=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C)C2	REAL300020259926	0	46	-1.0	-43.14	381.54	8.19	-34.95
COC(=O)C1=CC(F)=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C)C2	REAL300020259926	1	46	-1.0	-43.13	381.60	8.21	-34.92
COC(=O)C1=CC(F)=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C)C2	REAL300020259927	0	43	-1.0	-46.65	355.90	6.12	-40.53
COC(=O)C1=CC(F)=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C)C2	REAL300020259927	1	43	-1.0	-46.67	355.96	6.15	-40.52
COC(=O)COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)CC1	REAL300020259928	0	49	-1.0	-47.99	397.14	6.89	-41.10
COC(=O)COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)CC1	REAL300020259928	1	49	-1.0	-47.96	397.20	6.90	-41.06
COC(=O)COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)CC1	REAL300020259929	0	46	-1.0	-52.15	376.74	6.13	-46.02
COC(=O)COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)CC1	REAL300020259929	1	46	-1.0	-52.15	376.80	6.15	-46.00
CC(C)CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C)=N1	REAL300020259930	0	42	-1.0	-44.42	350.60	8.76	-35.66
CC(C)CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C)=N1	REAL300020259930	1	42	-1.0	-44.44	350.54	8.75	-35.69
CC(C)CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2C)=N1	REAL300020259931	0	39	-1.0	-46.27	324.59	8.03	-38.24
CC(C)CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2C)=N1	REAL300020259931	1	39	-1.0	-46.25	324.53	8.00	-38.25
CC(C)CN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)=N1	REAL300020259932	0	46	-1.0	-46.76	381.37	10.81	-35.95
CC(C)CN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)=N1	REAL300020259932	1	46	-1.0	-46.77	381.31	10.83	-35.94
COC(=O)[C@H]1C[C@H](C(F)(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259933	0	45	-1.0	-46.20	371.47	6.59	-39.61
COC(=O)[C@H]1C[C@H](C(F)(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259933	1	45	-1.0	-46.21	371.53	6.60	-39.61
COC(=O)[C@H]1C[C@H](C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259934	0	42	-1.0	-43.62	352.55	6.31	-37.31
COC(=O)[C@H]1C[C@H](C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259934	1	42	-1.0	-43.62	352.61	6.33	-37.29
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2Br)C1	REAL300020259935	0	40	-1.0	-44.76	345.32	7.75	-37.01
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2Br)C1	REAL300020259935	1	40	-1.0	-44.73	345.38	7.78	-36.95
CC(=O)NCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259936	0	43	-1.0	-48.49	352.12	3.63	-44.86
CC(=O)NCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259936	1	43	-1.0	-48.54	352.18	3.64	-44.90
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259937	0	40	-1.0	-52.36	326.80	2.73	-49.63
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259937	1	40	-1.0	-52.38	326.86	2.76	-49.62
CC(=O)NCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C1	REAL300020259938	0	47	-1.0	-50.73	383.34	5.70	-45.03
CC(=O)NCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C1	REAL300020259938	1	47	-1.0	-50.71	383.40	5.68	-45.03
CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020259939	0	39	-1.0	-43.55	309.26	2.96	-40.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020259939	1	39	-1.0	-43.51	309.31	2.98	-40.53
CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020259940	0	43	-1.0	-45.70	340.22	5.03	-40.67
CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020259940	1	43	-1.0	-45.71	340.26	5.01	-40.70
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1C1=CC=C(F)C=C1	REAL300020259941	0	46	-1.0	-46.35	379.23	7.31	-39.04
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1C1=CC=C(F)C=C1	REAL300020259941	1	46	-1.0	-46.37	379.28	7.34	-39.03
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@H]1C(C)C	REAL300020259942	0	48	-1.0	-43.28	377.02	6.85	-36.43
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@H]1C(C)C	REAL300020259942	1	48	-1.0	-43.27	377.08	6.87	-36.40
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@H]1C(C)C	REAL300020259943	0	45	-1.0	-45.28	356.55	6.10	-39.18
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@H]1C(C)C	REAL300020259943	1	45	-1.0	-45.29	356.61	6.12	-39.17
COC(=O)[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C)C[C@H]1C(C)C	REAL300020259944	0	52	-1.0	-45.82	411.80	9.04	-36.78
COC(=O)[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C)C[C@H]1C(C)C	REAL300020259944	1	52	-1.0	-45.75	411.83	9.02	-36.73
COC(=O)C1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C1	REAL300020259945	0	49	-1.0	-43.42	395.75	8.38	-35.04
COC(=O)C1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C1	REAL300020259945	1	49	-1.0	-43.46	395.81	8.40	-35.06
COC(=O)C1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C1	REAL300020259946	0	46	-1.0	-47.18	375.36	7.62	-39.56
COC(=O)C1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C1	REAL300020259946	1	46	-1.0	-47.14	375.42	7.65	-39.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020259947	0	43	-1.0	-39.97	361.42	8.24	-31.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020259947	1	43	-1.0	-39.98	361.47	8.26	-31.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020259948	0	40	-1.0	-42.19	343.09	7.62	-34.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020259948	1	40	-1.0	-42.19	343.03	7.60	-34.59
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020259949	0	47	-1.0	-41.94	388.13	10.41	-31.53
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020259949	1	47	-1.0	-41.83	388.28	10.40	-31.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=CC=C1	REAL300020259950	0	49	-1.0	-42.99	393.12	8.71	-34.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=CC=C1	REAL300020259950	1	49	-1.0	-42.91	393.18	8.72	-34.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=CC=C1	REAL300020259951	0	46	-1.0	-47.70	374.62	8.03	-39.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=CC=C1	REAL300020259951	1	46	-1.0	-47.67	374.57	8.00	-39.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020259952	0	47	-1.0	-40.48	411.40	9.20	-31.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020259952	1	47	-1.0	-40.53	411.46	9.22	-31.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020259953	0	44	-1.0	-43.22	385.83	8.47	-34.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020259953	1	44	-1.0	-43.21	385.77	8.44	-34.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020259954	0	53	-1.0	-41.50	427.68	8.66	-32.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020259954	1	53	-1.0	-41.47	427.74	8.67	-32.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020259955	0	50	-1.0	-45.92	404.17	7.78	-38.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020259955	1	50	-1.0	-45.88	404.11	7.75	-38.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020259956	0	56	0.0	-66.73	431.72	10.54	-56.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020259956	1	56	0.0	-68.95	422.08	11.18	-57.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020259956	1	56	0.0	-66.71	431.78	10.56	-56.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020259956	1	56	0.0	-68.94	422.14	11.19	-57.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020259957	0	53	0.0	-65.31	410.22	9.76	-55.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020259957	1	53	0.0	-66.94	398.00	10.58	-56.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020259957	1	53	0.0	-65.30	410.27	9.78	-55.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020259957	1	53	0.0	-66.98	398.05	10.59	-56.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020259958	0	48	-1.0	-45.79	401.66	6.69	-39.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020259958	1	48	-1.0	-45.79	401.71	6.70	-39.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020259959	0	45	-1.0	-47.44	379.61	5.88	-41.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020259959	1	45	-1.0	-47.42	379.67	5.90	-41.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020259960	0	46	-1.0	-40.39	356.17	7.73	-32.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020259960	1	46	-1.0	-40.38	356.23	7.75	-32.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020259961	0	43	-1.0	-43.34	337.65	7.08	-36.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020259961	1	43	-1.0	-43.42	337.58	7.05	-36.37
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCCC1	REAL300020259962	0	50	-1.0	-42.66	377.99	9.81	-32.85
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCCC1	REAL300020259962	1	50	-1.0	-42.66	378.00	9.80	-32.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020259963	0	50	-1.0	-41.28	409.37	8.81	-32.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020259963	1	50	-1.0	-41.29	409.43	8.82	-32.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020259964	0	47	-1.0	-46.06	385.65	8.24	-37.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020259964	1	47	-1.0	-46.07	385.70	8.25	-37.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSCC	REAL300020259965	0	49	-1.0	-39.93	401.25	9.07	-30.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSCC	REAL300020259965	1	49	-1.0	-39.98	401.30	9.09	-30.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSCC	REAL300020259966	0	46	-1.0	-40.53	367.82	8.36	-32.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSCC	REAL300020259966	1	46	-1.0	-40.55	367.77	8.35	-32.20
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CCSCC	REAL300020259967	0	53	-1.0	-41.81	419.88	10.92	-30.89
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CCSCC	REAL300020259967	1	53	-1.0	-41.77	419.92	10.91	-30.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(S(C)=O)C=C1	REAL300020259968	0	48	-1.0	-54.59	413.42	6.39	-48.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(S(C)=O)C=C1	REAL300020259968	1	48	-1.0	-54.53	413.36	6.36	-48.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)OC(C1=CC=CC=C1)=C2	REAL300020259969	0	48	-1.0	-48.66	395.59	9.08	-39.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)OC(C1=CC=CC=C1)=C2	REAL300020259969	1	48	-1.0	-48.66	395.53	9.06	-39.60
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C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCCCC)C1(C)C	REAL300020259970	1	59	-1.0	-40.39	453.62	8.53	-31.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCCCC)C1(C)C	REAL300020259971	0	56	-1.0	-41.08	441.31	8.84	-32.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCCCC)C1(C)C	REAL300020259971	1	56	-1.0	-41.12	441.37	8.86	-32.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020259972	0	53	-1.0	-40.63	428.56	10.83	-29.80
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C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020259974	0	47	-1.0	-39.04	388.43	9.53	-29.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020259974	1	47	-1.0	-39.08	388.48	9.54	-29.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020259975	0	44	-1.0	-45.86	350.17	7.31	-38.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020259975	1	44	-1.0	-45.86	350.11	7.29	-38.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OCCC)=CC=C2C1	REAL300020259976	0	54	-1.0	-43.14	430.38	9.01	-34.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OCCC)=CC=C2C1	REAL300020259976	1	54	-1.0	-43.17	430.44	9.03	-34.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OCCC)=CC=C2C1	REAL300020259977	0	51	-1.0	-41.99	413.96	9.33	-32.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OCCC)=CC=C2C1	REAL300020259977	1	51	-1.0	-41.99	413.91	9.32	-32.67
C#CCN1C=CC(CN(CCOC)C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)=N1	REAL300020259978	0	52	-1.0	-44.15	442.51	6.89	-37.26
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C#CCN1C=CC(CN(CCOC)C2=NN=C(CC3=NN=N[N-]3)N2CC=C)=N1	REAL300020259979	0	49	-1.0	-46.79	421.08	6.13	-40.66
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C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020259983	1	45	-1.0	-45.16	358.43	7.78	-37.38
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C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020259985	1	47	-1.0	-43.84	384.42	8.71	-35.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020259986	0	44	-1.0	-44.32	362.88	7.93	-36.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020259986	1	44	-1.0	-44.29	362.82	7.90	-36.39
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020259987	0	51	-1.0	-43.88	394.16	11.32	-32.56
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020259987	1	51	-1.0	-43.84	394.21	11.30	-32.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020259988	0	50	-1.0	-40.07	411.93	7.87	-32.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020259988	1	50	-1.0	-40.09	411.99	7.89	-32.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020259989	0	47	-1.0	-43.73	390.71	7.10	-36.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020259989	1	47	-1.0	-43.79	390.63	7.07	-36.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020259990	0	50	-1.0	-41.17	393.39	9.07	-32.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020259990	1	50	-1.0	-41.18	393.45	9.09	-32.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020259991	0	47	-1.0	-40.14	367.46	8.57	-31.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020259991	1	47	-1.0	-40.19	367.41	8.56	-31.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020259992	0	49	-1.0	-40.98	407.59	8.72	-32.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020259992	1	49	-1.0	-40.97	407.64	8.74	-32.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020259993	0	46	-1.0	-43.25	390.93	8.11	-35.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020259993	1	46	-1.0	-43.28	390.88	8.08	-35.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020259994	0	46	-1.0	-42.43	373.93	5.77	-36.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020259994	1	46	-1.0	-42.42	373.99	5.79	-36.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020259995	0	43	-1.0	-43.39	352.64	5.01	-38.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020259995	1	43	-1.0	-43.38	352.69	5.03	-38.35
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020259996	0	50	-1.0	-42.92	397.55	7.69	-35.23
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020259996	1	50	-1.0	-42.92	397.61	7.68	-35.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020259997	0	38	-1.0	-39.46	328.84	6.43	-33.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020259997	1	38	-1.0	-39.46	328.90	6.44	-33.02
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1	REAL300020259998	0	42	-1.0	-40.53	354.53	8.35	-32.18
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1	REAL300020259998	1	42	-1.0	-40.47	354.58	8.34	-32.13
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C(C)C	REAL300020259999	0	46	-1.0	-41.48	364.65	8.11	-33.37
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C(C)C	REAL300020259999	1	46	-1.0	-41.47	364.68	8.10	-33.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020260000	0	48	-1.0	-38.91	418.63	10.77	-28.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020260000	1	48	-1.0	-38.91	418.69	10.78	-28.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020260001	0	45	-1.0	-43.73	384.65	10.02	-33.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020260001	1	45	-1.0	-43.72	384.70	10.05	-33.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020260002	0	44	-1.0	-41.38	358.30	4.17	-37.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020260002	1	44	-1.0	-41.35	358.35	4.19	-37.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020260003	0	41	-1.0	-43.48	335.21	3.33	-40.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020260003	1	41	-1.0	-43.47	335.17	3.30	-40.17
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020260004	0	48	-1.0	-44.60	384.51	6.16	-38.44
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020260004	1	48	-1.0	-44.55	384.54	6.15	-38.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020260005	0	46	-1.0	-39.40	370.49	7.96	-31.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020260005	1	46	-1.0	-39.40	370.54	7.97	-31.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020260006	0	43	-1.0	-41.05	349.06	7.20	-33.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020260006	1	43	-1.0	-41.10	348.99	7.17	-33.93
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020260007	0	50	-1.0	-40.96	399.28	9.03	-31.93
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020260007	1	50	-1.0	-40.95	399.34	9.02	-31.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020260008	0	51	-1.0	-44.72	410.41	8.35	-36.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020260008	1	51	-1.0	-44.76	410.47	8.36	-36.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020260009	0	48	-1.0	-43.04	388.78	7.05	-35.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020260009	1	48	-1.0	-43.02	388.83	7.08	-35.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020260010	0	48	-1.0	-40.58	388.46	5.70	-34.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020260010	1	48	-1.0	-40.56	388.52	5.72	-34.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020260011	0	45	-1.0	-46.02	373.66	5.83	-40.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020260011	1	45	-1.0	-46.04	373.72	5.86	-40.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020260012	0	46	-1.0	-42.23	374.66	8.95	-33.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020260012	1	46	-1.0	-42.27	374.72	8.97	-33.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020260013	0	43	-1.0	-46.63	363.83	7.82	-38.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020260013	1	43	-1.0	-46.63	363.78	7.79	-38.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020260014	0	54	-1.0	-40.12	445.82	10.76	-29.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020260014	1	54	-1.0	-40.08	445.88	10.78	-29.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020260015	0	51	-1.0	-42.97	423.84	10.08	-32.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020260015	1	51	-1.0	-43.01	423.89	10.11	-32.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C(C)C1=CC=CC=C1Cl)C1CC1	REAL300020260016	0	50	-1.0	-42.86	419.74	9.93	-32.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C(C)C1=CC=CC=C1Cl)C1CC1	REAL300020260016	1	50	-1.0	-42.86	419.80	9.94	-32.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C(C)C1=CC=CC=C1Cl)C1CC1	REAL300020260017	0	47	-1.0	-44.68	401.69	9.13	-35.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C(C)C1=CC=CC=C1Cl)C1CC1	REAL300020260017	1	47	-1.0	-44.62	401.64	9.11	-35.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020260018	0	48	-1.0	-41.27	379.75	6.16	-35.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020260018	1	48	-1.0	-41.26	379.81	6.17	-35.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020260019	0	45	-1.0	-41.42	366.00	5.99	-35.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020260019	1	45	-1.0	-41.38	365.95	5.98	-35.40
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020260020	0	52	-1.0	-42.93	408.88	8.56	-34.37
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020260020	1	52	-1.0	-42.90	408.92	8.54	-34.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020260021	0	50	-1.0	-44.51	419.22	11.18	-33.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020260021	1	50	-1.0	-44.53	419.19	11.15	-33.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020260022	0	47	-1.0	-38.65	411.04	10.06	-28.59
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020260022	1	47	-1.0	-38.66	411.10	10.07	-28.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020260023	0	44	-1.0	-40.72	389.58	9.29	-31.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020260023	1	44	-1.0	-40.68	389.53	9.26	-31.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020260024	0	47	-1.0	-41.49	387.61	9.34	-32.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020260024	1	47	-1.0	-41.49	387.67	9.36	-32.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020260025	0	44	-1.0	-43.10	365.75	8.84	-34.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020260025	1	44	-1.0	-43.06	365.74	8.82	-34.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020260026	0	47	-1.0	-40.12	404.62	9.75	-30.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020260026	1	47	-1.0	-40.13	404.67	9.77	-30.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020260027	0	44	-1.0	-42.78	379.57	8.98	-33.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020260027	1	44	-1.0	-42.79	379.54	8.95	-33.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020260028	0	51	-1.0	-41.22	415.95	9.21	-32.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020260028	1	51	-1.0	-41.26	416.00	9.22	-32.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020260029	0	48	-1.0	-43.71	390.10	8.52	-35.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020260029	1	48	-1.0	-43.72	390.06	8.49	-35.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(CC)C=C1)C1CC1	REAL300020260030	0	53	-1.0	-39.26	429.96	10.72	-28.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(CC)C=C1)C1CC1	REAL300020260030	1	53	-1.0	-39.26	430.01	10.74	-28.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(CC)C=C1)C1CC1	REAL300020260031	0	50	-1.0	-42.05	415.73	10.21	-31.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(CC)C=C1)C1CC1	REAL300020260031	1	50	-1.0	-42.04	415.67	10.18	-31.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020260032	0	44	-1.0	-39.91	385.86	8.72	-31.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020260032	1	44	-1.0	-39.83	385.92	8.74	-31.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020260033	0	41	-1.0	-41.44	353.36	7.58	-33.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020260033	1	41	-1.0	-41.48	353.31	7.56	-33.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020260034	0	46	-1.0	-39.35	399.16	9.08	-30.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020260034	1	46	-1.0	-39.37	399.21	9.10	-30.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020260035	0	43	-1.0	-44.31	375.65	8.16	-36.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020260035	1	43	-1.0	-44.31	375.59	8.14	-36.17
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020260036	0	52	-1.0	-39.79	396.97	8.19	-31.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020260036	1	52	-1.0	-39.75	397.02	8.20	-31.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020260037	0	49	-1.0	-43.04	382.93	7.71	-35.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020260037	1	49	-1.0	-43.03	382.87	7.68	-35.35
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020260038	0	56	-1.0	-41.83	415.61	10.81	-31.02
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020260038	1	56	-1.0	-41.80	415.65	10.79	-31.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020260039	0	49	-1.0	-39.23	383.29	7.69	-31.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020260039	1	49	-1.0	-39.26	383.36	7.71	-31.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020260040	0	46	-1.0	-40.28	354.34	7.81	-32.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020260040	1	46	-1.0	-40.29	354.28	7.80	-32.49
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC(C)C1	REAL300020260041	0	53	-1.0	-41.82	402.75	10.26	-31.56
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC(C)C1	REAL300020260041	1	53	-1.0	-41.78	402.76	10.25	-31.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020260042	0	46	-1.0	-38.53	399.16	9.09	-29.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020260042	1	46	-1.0	-38.53	399.22	9.11	-29.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020260043	0	43	-1.0	-41.83	377.92	8.31	-33.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020260043	1	43	-1.0	-41.87	377.87	8.29	-33.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020260044	0	43	-1.0	-40.54	346.49	7.15	-33.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020260044	1	43	-1.0	-40.57	346.55	7.16	-33.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020260045	0	40	-1.0	-43.32	330.24	6.56	-36.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020260045	1	40	-1.0	-43.31	330.18	6.53	-36.78
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020260046	0	47	-1.0	-43.75	394.13	8.64	-35.11
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020260046	1	47	-1.0	-44.49	389.96	8.77	-35.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C	REAL300020260047	0	43	-1.0	-40.29	334.33	7.06	-33.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C	REAL300020260047	1	43	-1.0	-40.29	334.38	7.08	-33.21
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020260048	0	47	-1.0	-43.33	367.75	9.26	-34.07
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020260048	1	47	-1.0	-43.26	367.79	9.25	-34.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C1(CC)CC	REAL300020260049	0	59	-1.0	-41.74	442.14	10.04	-31.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C1(CC)CC	REAL300020260049	1	59	-1.0	-41.75	442.20	10.06	-31.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C1(CC)CC	REAL300020260050	0	56	-1.0	-44.75	415.47	9.30	-35.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C1(CC)CC	REAL300020260050	1	56	-1.0	-44.80	415.52	9.33	-35.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)NCC)C1	REAL300020260051	0	48	-1.0	-52.81	390.13	2.48	-50.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)NCC)C1	REAL300020260051	1	48	-1.0	-52.82	390.19	2.50	-50.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)NCC)C1	REAL300020260052	0	45	-1.0	-55.60	368.64	1.70	-53.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)NCC)C1	REAL300020260052	1	45	-1.0	-55.64	368.69	1.72	-53.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020260053	0	46	-1.0	-40.06	385.38	7.94	-32.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020260053	1	46	-1.0	-40.03	385.43	7.96	-32.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020260054	0	43	-1.0	-41.62	367.68	7.27	-34.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020260054	1	43	-1.0	-41.66	367.74	7.29	-34.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020260055	0	46	-1.0	-40.88	381.57	8.46	-32.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020260055	1	46	-1.0	-40.86	381.63	8.47	-32.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020260056	0	43	-1.0	-42.51	357.75	7.79	-34.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020260056	1	43	-1.0	-42.51	357.80	7.81	-34.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C#N)CC1C	REAL300020260057	0	48	-1.0	-52.41	407.82	4.58	-47.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C#N)CC1C	REAL300020260057	1	48	-1.0	-52.42	407.75	4.57	-47.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020260058	0	47	-1.0	-43.33	385.49	8.30	-35.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020260058	1	47	-1.0	-43.33	385.55	8.32	-35.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020260059	0	44	-1.0	-43.82	358.91	7.58	-36.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020260059	1	44	-1.0	-43.85	358.86	7.56	-36.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020260060	0	51	-1.0	-46.79	413.37	4.33	-42.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020260060	1	51	-1.0	-46.79	413.43	4.34	-42.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020260061	0	48	-1.0	-49.97	391.90	3.53	-46.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020260061	1	48	-1.0	-49.97	391.96	3.57	-46.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020260062	0	50	-1.0	-41.40	374.42	6.96	-34.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020260062	1	50	-1.0	-41.40	374.48	6.97	-34.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020260063	0	47	-1.0	-44.40	354.81	6.08	-38.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020260063	1	47	-1.0	-44.33	354.75	6.06	-38.27
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCCCCC21	REAL300020260064	0	54	-1.0	-43.20	404.64	8.80	-34.40
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCCCCC21	REAL300020260064	1	54	-1.0	-43.19	404.72	8.80	-34.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C12CCC2	REAL300020260065	0	54	-1.0	-40.46	415.65	8.57	-31.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C12CCC2	REAL300020260065	1	54	-1.0	-40.47	415.71	8.58	-31.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C12CCC2	REAL300020260066	0	51	-1.0	-43.02	400.09	7.92	-35.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C12CCC2	REAL300020260066	1	51	-1.0	-43.04	400.14	7.94	-35.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020260067	0	56	-1.0	-41.77	420.16	9.09	-32.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020260067	1	56	-1.0	-41.78	420.22	9.11	-32.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020260068	0	53	-1.0	-44.78	393.52	8.32	-36.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020260068	1	53	-1.0	-44.76	393.56	8.35	-36.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020260069	0	44	-1.0	-43.64	378.54	8.90	-34.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020260069	1	44	-1.0	-43.67	378.60	8.92	-34.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020260070	0	41	-1.0	-48.11	346.65	7.16	-40.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020260070	1	41	-1.0	-48.08	346.59	7.14	-40.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020260071	0	56	-1.0	-40.95	420.85	10.00	-30.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020260071	1	56	-1.0	-40.92	420.91	10.01	-30.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020260072	0	53	-1.0	-43.26	404.77	9.46	-33.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020260072	1	53	-1.0	-43.25	404.83	9.48	-33.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300020260073	0	46	-1.0	-45.26	397.60	8.62	-36.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300020260073	1	46	-1.0	-45.28	397.65	8.64	-36.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020260074	0	49	-1.0	-42.32	386.00	9.43	-32.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020260074	1	49	-1.0	-42.37	386.06	9.45	-32.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020260075	0	46	-1.0	-43.14	373.52	8.24	-34.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020260075	1	46	-1.0	-43.12	373.46	8.21	-34.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020260076	0	46	-1.0	-42.98	382.92	8.77	-34.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020260076	1	46	-1.0	-42.94	382.98	8.78	-34.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020260077	0	43	-1.0	-43.93	369.08	8.00	-35.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020260077	1	43	-1.0	-43.92	369.01	7.98	-35.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC(C)=C1	REAL300020260078	0	50	-1.0	-45.90	414.05	9.60	-36.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC(C)=C1	REAL300020260078	1	50	-1.0	-45.94	413.99	9.57	-36.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020260079	0	47	-1.0	-38.62	387.68	8.70	-29.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020260079	1	47	-1.0	-38.66	387.74	8.72	-29.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020260080	0	44	-1.0	-44.50	371.15	10.16	-34.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020260080	1	44	-1.0	-44.48	371.10	10.14	-34.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020260081	0	47	-1.0	-41.03	398.01	10.62	-30.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020260081	1	47	-1.0	-40.99	398.06	10.63	-30.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020260082	0	44	-1.0	-43.29	367.28	8.16	-35.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020260082	1	44	-1.0	-43.33	367.23	8.13	-35.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C(C)(C)C)C=C1	REAL300020260083	0	56	-1.0	-39.08	419.70	10.33	-28.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C(C)(C)C)C=C1	REAL300020260083	1	56	-1.0	-39.11	419.65	10.33	-28.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020260084	0	47	-1.0	-41.99	398.12	10.57	-31.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020260084	1	47	-1.0	-41.97	398.18	10.58	-31.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020260085	0	44	-1.0	-40.05	362.80	8.41	-31.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020260085	1	44	-1.0	-40.02	362.76	8.40	-31.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020260086	0	53	-1.0	-43.35	397.02	9.96	-33.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020260086	1	53	-1.0	-43.34	397.07	9.98	-33.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020260087	0	50	-1.0	-43.69	379.63	9.39	-34.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020260087	1	50	-1.0	-43.69	379.57	9.37	-34.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020260088	0	50	-1.0	-40.17	389.42	8.79	-31.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020260088	1	50	-1.0	-40.16	389.48	8.81	-31.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020260089	0	47	-1.0	-43.57	367.50	8.07	-35.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020260089	1	47	-1.0	-43.61	367.46	8.06	-35.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020260090	0	50	-1.0	-39.33	391.48	9.15	-30.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020260090	1	50	-1.0	-39.30	391.54	9.17	-30.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020260091	0	47	-1.0	-40.56	367.52	8.57	-31.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020260091	1	47	-1.0	-40.61	367.48	8.56	-32.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020260092	0	44	-1.0	-39.52	378.46	8.65	-30.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020260092	1	44	-1.0	-39.53	378.52	8.67	-30.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020260093	0	41	-1.0	-43.51	352.73	7.98	-35.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020260093	1	41	-1.0	-43.56	352.67	7.96	-35.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020260094	0	49	-1.0	-40.24	399.54	9.07	-31.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020260094	1	49	-1.0	-40.22	399.59	9.08	-31.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020260095	0	46	-1.0	-54.00	373.32	7.49	-46.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020260095	1	46	-1.0	-53.99	373.25	7.47	-46.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020260096	0	49	-1.0	-39.24	398.53	9.05	-30.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020260096	1	49	-1.0	-39.29	398.59	9.06	-30.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020260097	0	46	-1.0	-41.97	377.87	8.28	-33.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020260097	1	46	-1.0	-41.97	377.82	8.26	-33.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020260098	0	49	-1.0	-41.21	393.41	10.27	-30.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020260098	1	49	-1.0	-41.21	393.47	10.28	-30.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020260099	0	46	-1.0	-42.81	376.08	8.97	-33.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020260099	1	46	-1.0	-42.79	376.02	8.94	-33.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC(Cl)=C1	REAL300020260100	0	46	-1.0	-39.49	399.16	9.12	-30.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC(Cl)=C1	REAL300020260100	1	46	-1.0	-39.50	399.22	9.14	-30.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC(Cl)=C1	REAL300020260101	0	43	-1.0	-42.20	369.88	8.19	-34.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC(Cl)=C1	REAL300020260101	1	43	-1.0	-42.18	369.84	8.17	-34.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1Cl	REAL300020260102	0	46	-1.0	-42.46	385.48	8.73	-33.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1Cl	REAL300020260102	1	46	-1.0	-42.46	385.54	8.74	-33.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1Cl	REAL300020260103	0	43	-1.0	-46.97	368.02	8.09	-38.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1Cl	REAL300020260103	1	43	-1.0	-46.97	367.96	8.06	-38.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020260104	0	49	-1.0	-42.30	415.28	9.95	-32.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020260104	1	49	-1.0	-42.23	415.34	9.97	-32.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020260105	0	46	-1.0	-42.34	401.08	9.44	-32.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020260105	1	46	-1.0	-42.34	401.02	9.41	-32.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020260106	0	49	-1.0	-44.37	426.43	10.36	-34.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020260106	1	49	-1.0	-44.35	426.48	10.37	-33.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020260107	0	46	-1.0	-44.86	401.40	9.58	-35.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020260107	1	46	-1.0	-44.86	401.34	9.55	-35.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020260108	0	49	-1.0	-41.03	393.68	8.93	-32.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020260108	1	49	-1.0	-41.01	393.74	8.95	-32.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020260109	0	46	-1.0	-57.97	377.80	9.20	-48.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020260109	1	46	-1.0	-58.00	377.76	9.17	-48.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCC)C(C)C	REAL300020260110	0	51	-1.0	-40.44	397.35	8.15	-32.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCC)C(C)C	REAL300020260110	1	51	-1.0	-40.44	397.41	8.16	-32.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCC)C(C)C	REAL300020260111	0	48	-1.0	-44.73	376.38	7.38	-37.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCC)C(C)C	REAL300020260111	1	48	-1.0	-44.73	376.33	7.35	-37.38
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCCC)C(C)C	REAL300020260112	0	55	-1.0	-43.13	427.25	10.06	-33.07
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCCC)C(C)C	REAL300020260112	1	55	-1.0	-43.17	427.28	10.04	-33.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020260113	0	49	-1.0	-39.59	409.83	9.51	-30.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020260113	1	49	-1.0	-39.59	409.89	9.52	-30.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020260114	0	46	-1.0	-49.84	383.68	7.94	-41.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020260114	1	46	-1.0	-49.83	383.62	7.91	-41.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)C=C1	REAL300020260115	0	46	-1.0	-39.41	391.46	8.77	-30.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)C=C1	REAL300020260115	1	46	-1.0	-39.38	391.51	8.79	-30.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)C=C1	REAL300020260116	0	43	-1.0	-42.92	373.24	9.13	-33.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)C=C1	REAL300020260116	1	43	-1.0	-42.90	373.19	9.10	-33.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020260117	0	46	-1.0	-38.84	375.94	8.83	-30.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020260117	1	46	-1.0	-38.82	376.00	8.84	-29.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020260118	0	43	-1.0	-42.33	354.29	7.89	-34.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020260118	1	43	-1.0	-42.34	354.24	7.87	-34.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020260119	0	48	-1.0	-41.74	390.13	4.66	-37.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020260119	1	48	-1.0	-41.73	390.18	4.67	-37.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020260120	0	45	-1.0	-41.83	371.88	3.98	-37.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020260120	1	45	-1.0	-41.79	371.81	3.96	-37.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020260121	0	43	-1.0	-52.36	364.57	2.86	-49.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020260121	1	43	-1.0	-52.35	364.63	2.87	-49.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020260122	0	40	-1.0	-48.78	347.56	2.18	-46.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020260122	1	40	-1.0	-48.80	347.50	2.15	-46.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020260123	0	50	-1.0	-41.81	419.64	7.63	-34.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020260123	1	50	-1.0	-41.81	419.70	7.65	-34.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020260124	0	47	-1.0	-41.73	392.14	7.02	-34.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020260124	1	47	-1.0	-41.71	392.09	7.00	-34.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2C1	REAL300020260125	0	52	-1.0	-42.27	423.59	8.14	-34.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2C1	REAL300020260125	1	52	-1.0	-42.29	423.65	8.15	-34.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2C1	REAL300020260126	0	49	-1.0	-47.11	391.60	7.31	-39.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2C1	REAL300020260126	1	49	-1.0	-47.13	391.54	7.28	-39.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020260127	0	46	-1.0	-52.76	371.04	3.26	-49.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020260127	1	46	-1.0	-52.75	371.09	3.28	-49.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020260128	0	43	-1.0	-47.44	346.31	3.35	-44.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020260128	1	43	-1.0	-47.39	346.26	3.34	-44.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020260129	0	53	-1.0	-41.38	434.81	8.49	-32.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020260129	1	53	-1.0	-41.40	434.86	8.50	-32.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020260130	0	50	-1.0	-41.28	409.69	7.78	-33.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020260130	1	50	-1.0	-41.24	409.73	7.81	-33.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1COC2=CC=CC=C2O1	REAL300020260131	0	52	-1.0	-40.63	423.65	7.78	-32.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1COC2=CC=CC=C2O1	REAL300020260131	1	52	-1.0	-40.62	423.71	7.79	-32.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1COC2=CC=CC=C2O1	REAL300020260132	0	49	-1.0	-48.45	395.22	6.95	-41.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1COC2=CC=CC=C2O1	REAL300020260132	1	49	-1.0	-48.45	395.28	6.97	-41.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020260133	0	53	-1.0	-41.86	434.03	8.40	-33.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020260133	1	53	-1.0	-41.80	434.09	8.42	-33.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020260134	0	50	-1.0	-41.60	407.29	7.58	-34.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020260134	1	50	-1.0	-41.58	407.34	7.60	-33.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC=C1CC	REAL300020260135	0	53	-1.0	-41.26	436.96	8.64	-32.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC=C1CC	REAL300020260135	1	53	-1.0	-41.22	437.02	8.65	-32.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC=C1CC	REAL300020260136	0	50	-1.0	-43.95	414.79	7.80	-36.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC=C1CC	REAL300020260136	1	50	-1.0	-43.99	414.84	7.83	-36.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020260137	0	49	-1.0	-39.77	385.74	7.78	-31.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020260137	1	49	-1.0	-39.80	385.80	7.80	-32.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020260138	0	46	-1.0	-43.09	357.66	6.84	-36.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020260138	1	46	-1.0	-43.06	357.61	6.82	-36.24
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC(C)CC1	REAL300020260139	0	53	-1.0	-42.96	400.60	10.18	-32.78
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC(C)CC1	REAL300020260139	1	53	-1.0	-42.85	400.64	10.17	-32.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CS1	REAL300020260140	0	43	-1.0	-38.90	372.38	7.83	-31.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CS1	REAL300020260140	1	43	-1.0	-38.90	372.43	7.85	-31.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CS1	REAL300020260141	0	40	-1.0	-42.59	353.01	7.32	-35.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CS1	REAL300020260141	1	40	-1.0	-42.60	352.95	7.29	-35.31
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1=CC=CS1	REAL300020260142	0	47	-1.0	-41.32	402.59	9.90	-31.42
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1=CC=CS1	REAL300020260142	1	47	-1.0	-41.31	402.63	9.89	-31.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020260143	0	49	-1.0	-43.91	404.18	6.51	-37.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020260143	1	49	-1.0	-43.91	404.24	6.53	-37.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020260144	0	46	-1.0	-45.40	379.01	6.67	-38.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020260144	1	46	-1.0	-45.40	378.95	6.65	-38.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC(C)C(OC)C1=CC=CC=C1Cl	REAL300020260145	0	47	-1.0	-45.82	407.17	9.28	-36.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC(C)C(OC)C1=CC=CC=C1Cl	REAL300020260145	1	47	-1.0	-45.83	407.24	9.31	-36.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020260146	0	48	-1.0	-45.91	415.10	9.88	-36.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020260146	1	48	-1.0	-45.94	415.16	9.89	-36.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020260147	0	45	-1.0	-49.02	393.36	9.09	-39.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020260147	1	45	-1.0	-49.02	393.41	9.11	-39.91
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)CC1	REAL300020260148	0	49	-1.0	-42.90	411.73	6.38	-36.52
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)CC1	REAL300020260148	1	49	-1.0	-42.92	411.78	6.39	-36.53
C#CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)CC1	REAL300020260149	0	46	-1.0	-43.76	388.60	5.50	-38.26
C#CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)CC1	REAL300020260149	1	46	-1.0	-43.78	388.65	5.53	-38.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020260150	0	48	-1.0	-48.28	393.06	5.01	-43.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020260150	1	48	-1.0	-48.27	393.12	5.03	-43.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020260151	0	45	-1.0	-50.57	376.96	4.40	-46.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020260151	1	45	-1.0	-50.62	377.02	4.42	-46.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020260152	0	48	-1.0	-48.96	383.62	4.78	-44.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020260152	1	48	-1.0	-48.97	383.67	4.80	-44.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020260153	0	45	-1.0	-53.10	370.13	3.84	-49.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020260153	1	45	-1.0	-53.05	370.19	3.86	-49.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020260154	0	47	-1.0	-42.76	382.61	8.87	-33.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020260154	1	47	-1.0	-42.75	382.67	8.88	-33.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020260155	0	44	-1.0	-43.96	363.41	8.10	-35.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020260155	1	44	-1.0	-43.99	363.35	8.07	-35.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020260156	0	41	-1.0	-40.41	324.19	5.31	-35.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020260156	1	41	-1.0	-40.41	324.24	5.32	-35.09
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC21	REAL300020260157	0	45	-1.0	-42.05	353.22	7.34	-34.71
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC21	REAL300020260157	1	45	-1.0	-41.99	353.28	7.33	-34.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CCC1=CC=CC(F)=C1	REAL300020260158	0	52	-1.0	-43.56	422.47	9.88	-33.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CCC1=CC=CC(F)=C1	REAL300020260158	1	52	-1.0	-43.57	422.53	9.89	-33.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CCC1=CC=CC(F)=C1	REAL300020260159	0	49	-1.0	-44.14	396.07	9.17	-34.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CCC1=CC=CC(F)=C1	REAL300020260159	1	49	-1.0	-44.10	396.02	9.15	-34.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020260160	0	50	-1.0	-40.99	420.91	10.39	-30.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020260160	1	50	-1.0	-40.99	420.97	10.41	-30.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020260161	0	47	-1.0	-43.51	389.49	9.56	-33.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020260161	1	47	-1.0	-43.50	389.44	9.55	-33.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020260162	0	55	-1.0	-39.01	406.17	9.02	-29.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020260162	1	55	-1.0	-39.00	406.22	9.04	-29.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020260163	0	52	-1.0	-41.13	384.68	9.03	-32.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020260163	1	52	-1.0	-41.17	384.73	9.06	-32.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020260164	0	52	-1.0	-38.96	386.17	9.23	-29.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020260164	1	52	-1.0	-38.87	386.23	9.24	-29.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020260165	0	49	-1.0	-41.89	362.03	8.62	-33.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020260165	1	49	-1.0	-41.87	361.98	8.61	-33.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020260166	0	56	-1.0	-40.61	415.10	11.21	-29.40
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020260166	1	56	-1.0	-40.58	415.13	11.19	-29.39
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020260167	0	42	-1.0	-41.94	340.68	8.28	-33.66
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020260167	1	42	-1.0	-41.94	340.71	8.27	-33.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020260168	0	57	0.0	-68.16	431.01	7.34	-60.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020260168	1	57	0.0	-66.78	421.79	7.73	-59.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020260168	1	57	0.0	-68.16	431.07	7.35	-60.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020260168	1	57	0.0	-66.78	421.85	7.74	-59.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020260169	0	54	0.0	-67.15	407.20	6.66	-60.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020260169	1	54	0.0	-65.75	400.04	6.83	-58.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020260169	1	54	0.0	-67.11	407.25	6.67	-60.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020260169	1	54	0.0	-65.79	400.09	6.84	-58.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020260170	0	48	-1.0	-42.99	382.60	8.24	-34.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020260170	1	48	-1.0	-42.97	382.66	8.26	-34.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020260171	0	45	-1.0	-45.28	362.96	7.50	-37.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020260171	1	45	-1.0	-45.23	362.90	7.47	-37.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020260172	0	49	-1.0	-38.04	371.81	9.38	-28.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020260172	1	49	-1.0	-38.05	371.87	9.39	-28.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020260173	0	46	-1.0	-41.04	340.28	7.55	-33.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020260173	1	46	-1.0	-41.02	340.23	7.53	-33.49
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020260174	0	53	-1.0	-40.36	397.51	11.61	-28.75
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020260174	1	53	-1.0	-40.31	397.59	11.60	-28.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020260175	0	47	-1.0	-42.39	403.46	5.95	-36.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020260175	1	47	-1.0	-42.45	403.52	5.96	-36.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020260176	0	44	-1.0	-42.71	381.87	5.16	-37.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020260176	1	44	-1.0	-42.68	381.92	5.18	-37.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)C1CC	REAL300020260177	0	56	-1.0	-40.78	429.13	10.55	-30.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)C1CC	REAL300020260177	1	56	-1.0	-40.77	429.18	10.57	-30.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)C1CC	REAL300020260178	0	53	-1.0	-45.55	404.14	9.75	-35.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)C1CC	REAL300020260178	1	53	-1.0	-45.56	404.07	9.73	-35.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020260179	0	53	-1.0	-41.27	415.19	10.76	-30.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020260179	1	53	-1.0	-41.28	415.25	10.77	-30.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020260180	0	50	-1.0	-43.79	401.84	9.38	-34.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020260180	1	50	-1.0	-43.80	401.78	9.35	-34.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020260181	0	50	-1.0	-40.80	394.15	10.01	-30.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020260181	1	50	-1.0	-40.80	394.21	10.03	-30.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020260182	0	47	-1.0	-45.58	368.54	9.08	-36.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020260182	1	47	-1.0	-45.59	368.50	9.05	-36.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020260183	0	48	-1.0	-43.27	402.94	10.35	-32.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020260183	1	48	-1.0	-43.24	403.00	10.36	-32.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020260184	0	45	-1.0	-45.75	386.98	9.05	-36.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020260184	1	45	-1.0	-45.72	386.92	9.02	-36.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020260185	0	53	-1.0	-43.43	421.56	11.35	-32.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020260185	1	53	-1.0	-43.43	421.62	11.36	-32.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020260186	0	50	-1.0	-47.03	394.84	10.57	-36.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020260186	1	50	-1.0	-47.03	394.78	10.54	-36.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020260187	0	56	-1.0	-38.77	407.84	9.92	-28.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020260187	1	56	-1.0	-38.78	407.89	9.93	-28.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020260188	0	53	-1.0	-42.40	387.75	9.16	-33.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020260188	1	53	-1.0	-42.42	387.81	9.18	-33.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)C1=CC=C(Cl)C=C1	REAL300020260189	0	49	-1.0	-44.46	401.54	9.95	-34.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)C1=CC=C(Cl)C=C1	REAL300020260189	1	49	-1.0	-44.47	401.60	9.98	-34.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020260190	0	44	-1.0	-41.26	359.82	7.57	-33.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020260190	1	44	-1.0	-41.24	359.88	7.58	-33.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020260191	0	41	-1.0	-43.81	342.42	8.02	-35.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020260191	1	41	-1.0	-43.78	342.35	8.00	-35.78
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020260192	0	48	-1.0	-42.12	392.05	9.78	-32.34
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020260192	1	48	-1.0	-42.10	392.09	9.77	-32.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020260193	0	46	-1.0	-40.74	381.38	4.42	-36.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020260193	1	46	-1.0	-40.72	381.44	4.44	-36.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020260194	0	43	-1.0	-43.80	359.70	3.65	-40.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020260194	1	43	-1.0	-43.80	359.64	3.61	-40.19
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCCCO	REAL300020260195	0	50	-1.0	-43.18	409.86	6.38	-36.80
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCCCO	REAL300020260195	1	50	-1.0	-43.20	409.91	6.37	-36.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020260196	0	50	-1.0	-40.35	418.72	6.73	-33.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020260196	1	50	-1.0	-40.39	418.78	6.75	-33.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020260197	0	47	-1.0	-42.91	400.41	6.12	-36.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020260197	1	47	-1.0	-42.95	400.35	6.10	-36.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020260198	0	48	-1.0	-42.00	393.04	9.43	-32.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020260198	1	48	-1.0	-42.02	393.09	9.44	-32.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020260199	0	45	-1.0	-46.75	362.87	8.21	-38.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020260199	1	45	-1.0	-46.76	362.80	8.18	-38.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC(C)=NS2)CC1	REAL300020260200	0	47	-1.0	-44.82	390.01	6.45	-38.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC(C)=NS2)CC1	REAL300020260200	1	47	-1.0	-44.81	390.07	6.47	-38.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020260201	0	46	-1.0	-39.33	363.34	6.85	-32.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020260201	1	46	-1.0	-39.33	363.39	6.87	-32.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020260202	0	43	-1.0	-42.63	345.62	6.20	-36.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020260202	1	43	-1.0	-42.59	345.56	6.17	-36.42
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CCC1C	REAL300020260203	0	50	-1.0	-41.09	390.27	8.73	-32.36
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CCC1C	REAL300020260203	1	50	-1.0	-41.12	390.32	8.71	-32.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)NC(=O)NC2=O)CC1	REAL300020260204	0	49	-1.0	-48.38	395.91	2.75	-45.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)NC(=O)NC2=O)CC1	REAL300020260204	1	49	-1.0	-48.39	395.95	2.77	-45.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020260205	0	47	-1.0	-42.40	373.57	8.21	-34.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020260205	1	47	-1.0	-42.39	373.62	8.22	-34.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020260206	0	44	-1.0	-43.31	355.83	8.26	-35.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020260206	1	44	-1.0	-43.31	355.78	8.23	-35.08
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020260207	0	51	-1.0	-43.80	401.73	10.17	-33.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020260207	1	51	-1.0	-43.79	401.77	10.18	-33.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020260208	0	56	-1.0	-42.70	440.00	11.34	-31.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020260208	1	56	-1.0	-42.66	440.05	11.35	-31.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020260209	0	53	-1.0	-44.89	421.02	10.61	-34.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020260209	1	53	-1.0	-44.91	421.07	10.63	-34.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020260210	0	59	-1.0	-40.85	437.32	10.57	-30.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020260210	1	59	-1.0	-40.89	437.37	10.58	-30.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020260211	0	56	-1.0	-43.42	420.29	10.00	-33.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020260211	1	56	-1.0	-43.36	420.35	10.03	-33.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020260212	0	50	-1.0	-44.17	421.21	9.63	-34.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020260212	1	50	-1.0	-44.18	421.27	9.65	-34.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020260213	0	47	-1.0	-49.45	389.71	7.73	-41.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020260213	1	47	-1.0	-49.42	389.65	7.71	-41.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020260214	0	53	-1.0	-47.22	420.41	5.91	-41.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020260214	1	53	-1.0	-47.23	420.47	5.92	-41.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020260215	0	50	-1.0	-49.31	403.75	4.75	-44.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020260215	1	50	-1.0	-49.34	403.81	4.77	-44.57
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020260216	0	44	-1.0	-39.91	359.64	7.89	-32.02
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020260216	1	44	-1.0	-39.96	359.69	7.90	-32.06
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020260217	0	41	-1.0	-42.07	340.92	7.20	-34.87
C=CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020260217	1	41	-1.0	-42.06	340.86	7.17	-34.89
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020260218	0	48	-1.0	-43.13	389.77	9.61	-33.52
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020260218	1	48	-1.0	-42.98	390.32	9.74	-33.24
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020260219	0	47	-1.0	-41.62	400.52	8.45	-33.17
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020260219	1	47	-1.0	-41.57	400.58	8.46	-33.11
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020260220	0	44	-1.0	-45.35	375.52	8.00	-37.35
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020260220	1	44	-1.0	-45.34	375.46	7.97	-37.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020260221	0	52	-1.0	-42.33	420.29	7.93	-34.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020260221	1	52	-1.0	-42.33	420.35	7.95	-34.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020260222	0	49	-1.0	-47.67	398.62	7.29	-40.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020260222	1	49	-1.0	-47.66	398.69	7.31	-40.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020260223	0	46	-1.0	-49.63	375.37	8.31	-41.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020260223	1	46	-1.0	-49.64	375.43	8.33	-41.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020260224	0	43	-1.0	-48.29	358.88	7.72	-40.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020260224	1	43	-1.0	-48.30	358.81	7.70	-40.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020260225	0	51	-1.0	-41.90	413.06	8.27	-33.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020260225	1	51	-1.0	-41.88	413.00	8.26	-33.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020260226	0	48	-1.0	-46.47	387.75	6.95	-39.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020260226	1	48	-1.0	-46.44	387.69	6.93	-39.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1	REAL300020260227	0	56	0.0	-62.47	424.02	10.44	-52.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1	REAL300020260227	1	56	0.0	-61.73	424.60	10.42	-51.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1	REAL300020260227	1	56	0.0	-62.48	424.07	10.47	-52.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1	REAL300020260227	1	56	0.0	-61.75	424.65	10.43	-51.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020260228	0	47	-1.0	-43.15	393.36	9.56	-33.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020260228	1	47	-1.0	-43.17	393.40	9.59	-33.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020260229	0	44	-1.0	-41.76	372.68	8.65	-33.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020260229	1	44	-1.0	-41.79	372.74	8.66	-33.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020260230	0	41	-1.0	-43.50	359.17	7.99	-35.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020260230	1	41	-1.0	-43.49	359.23	8.02	-35.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CN(C)S(C)(=O)=O)C1	REAL300020260231	0	51	-1.0	-49.69	416.90	4.24	-45.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CN(C)S(C)(=O)=O)C1	REAL300020260231	1	51	-1.0	-49.68	416.96	4.26	-45.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020260232	0	48	-1.0	-46.32	404.11	9.45	-36.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020260232	1	48	-1.0	-46.34	404.17	9.46	-36.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020260233	0	45	-1.0	-51.20	382.46	8.78	-42.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020260233	1	45	-1.0	-51.17	382.39	8.76	-42.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020260234	0	41	-1.0	-44.19	335.14	10.48	-33.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020260234	1	41	-1.0	-44.14	335.08	10.47	-33.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020260235	0	38	-1.0	-50.25	308.02	9.76	-40.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020260235	1	38	-1.0	-50.24	307.96	9.75	-40.49
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020260236	0	45	-1.0	-47.60	362.36	12.40	-35.20
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020260236	1	45	-1.0	-47.60	362.39	12.39	-35.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020260237	0	43	-1.0	-41.94	359.87	9.44	-32.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020260237	1	43	-1.0	-41.91	359.82	9.42	-32.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020260238	0	40	-1.0	-47.78	342.03	8.79	-38.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020260238	1	40	-1.0	-47.75	341.97	8.77	-38.98
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020260239	0	47	-1.0	-43.91	391.84	11.45	-32.46
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020260239	1	47	-1.0	-43.89	391.88	11.44	-32.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020260240	0	43	-1.0	-41.16	358.27	9.38	-31.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020260240	1	43	-1.0	-41.13	358.22	9.37	-31.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020260241	0	40	-1.0	-47.08	338.36	8.64	-38.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020260241	1	40	-1.0	-47.09	338.31	8.62	-38.47
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020260242	0	47	-1.0	-43.11	385.98	11.30	-31.81
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020260242	1	47	-1.0	-43.06	386.03	11.29	-31.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020260243	0	46	-1.0	-42.56	384.93	10.21	-32.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020260243	1	46	-1.0	-42.56	384.87	10.20	-32.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020260244	0	43	-1.0	-47.95	363.43	9.44	-38.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020260244	1	43	-1.0	-47.95	363.37	9.42	-38.53
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020260245	0	50	-1.0	-44.78	393.86	13.08	-31.70
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020260245	1	50	-1.0	-44.78	393.88	13.08	-31.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020260246	0	46	-1.0	-41.85	377.49	11.24	-30.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020260246	1	46	-1.0	-41.81	377.44	11.23	-30.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020260247	0	43	-1.0	-44.31	359.22	10.56	-33.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020260247	1	43	-1.0	-44.30	359.16	10.54	-33.76
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020260248	0	50	-1.0	-43.03	407.83	13.23	-29.80
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020260248	1	50	-1.0	-43.00	407.85	13.22	-29.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020260249	0	49	-1.0	-40.67	397.01	10.61	-30.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020260249	1	49	-1.0	-40.68	397.07	10.63	-30.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020260250	0	46	-1.0	-46.49	377.16	9.88	-36.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020260250	1	46	-1.0	-46.49	377.11	9.86	-36.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020260251	0	53	-1.0	-43.80	411.04	12.79	-31.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020260251	1	53	-1.0	-43.80	411.09	12.80	-31.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020260252	0	50	-1.0	-46.61	387.01	12.21	-34.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020260252	1	50	-1.0	-46.58	386.96	12.20	-34.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020260253	0	47	-1.0	-44.58	373.20	11.66	-32.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020260253	1	47	-1.0	-44.60	373.26	11.68	-32.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020260254	0	44	-1.0	-47.44	349.18	11.09	-36.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020260254	1	44	-1.0	-47.44	349.14	11.07	-36.37
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020260255	0	51	-1.0	-46.30	400.91	13.62	-32.68
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020260255	1	51	-1.0	-46.31	400.93	13.61	-32.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020260256	0	51	-1.0	-43.00	398.18	12.74	-30.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020260256	1	51	-1.0	-43.03	398.24	12.75	-30.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020260257	0	48	-1.0	-46.47	376.75	11.97	-34.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020260257	1	48	-1.0	-46.43	376.69	11.94	-34.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020260258	0	53	-1.0	-43.49	409.26	12.61	-30.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020260258	1	53	-1.0	-43.50	409.31	12.63	-30.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020260259	0	50	-1.0	-46.13	384.01	11.90	-34.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020260259	1	50	-1.0	-46.13	383.96	11.89	-34.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020260260	0	44	-1.0	-46.17	356.34	11.14	-35.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020260260	1	44	-1.0	-46.13	356.28	11.12	-35.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020260261	0	41	-1.0	-50.30	329.44	10.43	-39.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020260261	1	41	-1.0	-50.30	329.37	10.41	-39.89
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020260262	0	48	-1.0	-47.50	383.76	13.07	-34.43
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020260262	1	48	-1.0	-47.51	383.80	13.06	-34.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020260263	0	51	-1.0	-43.47	413.82	13.95	-29.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020260263	1	51	-1.0	-43.53	413.88	13.97	-29.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020260264	0	48	-1.0	-49.78	386.67	13.24	-36.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020260264	1	48	-1.0	-49.79	386.61	13.21	-36.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020260265	0	50	-1.0	-42.99	388.35	12.06	-30.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020260265	1	50	-1.0	-43.03	388.41	12.07	-30.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020260266	0	47	-1.0	-48.81	361.70	11.35	-37.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020260266	1	47	-1.0	-48.78	361.65	11.34	-37.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020260267	0	49	-1.0	-41.75	398.60	10.66	-31.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020260267	1	49	-1.0	-41.79	398.66	10.68	-31.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020260268	0	46	-1.0	-48.01	380.80	10.04	-37.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020260268	1	46	-1.0	-47.93	380.75	10.01	-37.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020260269	0	51	-1.0	-43.38	412.14	13.95	-29.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020260269	1	51	-1.0	-43.39	412.19	13.97	-29.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020260270	0	48	-1.0	-49.24	385.14	13.23	-36.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020260270	1	48	-1.0	-49.21	385.10	13.21	-36.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020260271	0	45	-1.0	-43.64	367.19	11.81	-31.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020260271	1	45	-1.0	-43.60	367.14	11.80	-31.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020260272	0	42	-1.0	-49.68	339.97	11.08	-38.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020260272	1	42	-1.0	-49.68	339.91	11.07	-38.61
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020260273	0	49	-1.0	-46.95	394.33	13.70	-33.25
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020260273	1	49	-1.0	-46.95	394.36	13.69	-33.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020260274	0	48	-1.0	-45.19	401.02	7.47	-37.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020260274	1	48	-1.0	-45.22	401.08	7.49	-37.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020260275	0	45	-1.0	-51.29	379.57	6.71	-44.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020260275	1	45	-1.0	-51.22	379.52	6.69	-44.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020260276	0	48	-1.0	-43.26	382.01	12.22	-31.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020260276	1	48	-1.0	-43.23	382.07	12.24	-30.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020260277	0	45	-1.0	-46.85	359.15	11.37	-35.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020260277	1	45	-1.0	-46.86	359.09	11.35	-35.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020260278	0	53	-1.0	-42.90	403.31	12.34	-30.56
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020260278	1	53	-1.0	-42.94	403.37	12.35	-30.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020260279	0	50	-1.0	-48.74	372.24	11.57	-37.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020260279	1	50	-1.0	-48.75	372.20	11.55	-37.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020260280	0	50	-1.0	-43.16	411.08	9.67	-33.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020260280	1	50	-1.0	-43.10	411.13	9.68	-33.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020260281	0	47	-1.0	-49.49	389.90	8.96	-40.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020260281	1	47	-1.0	-49.46	389.84	8.93	-40.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020260282	0	50	-1.0	-41.56	398.79	5.57	-35.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020260282	1	50	-1.0	-41.62	398.85	5.58	-36.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020260283	0	47	-1.0	-43.78	375.67	4.69	-39.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020260283	1	47	-1.0	-43.80	375.71	4.72	-39.08
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCCO)CC1	REAL300020260284	0	54	-1.0	-44.39	428.66	7.56	-36.83
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCCO)CC1	REAL300020260284	1	54	-1.0	-44.39	428.70	7.54	-36.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020260285	0	44	-1.0	-41.44	374.23	8.50	-32.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020260285	1	44	-1.0	-41.49	374.29	8.51	-32.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020260286	0	41	-1.0	-44.51	351.61	7.59	-36.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020260286	1	41	-1.0	-44.55	351.54	7.56	-36.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020260287	0	44	-1.0	-42.17	363.90	8.05	-34.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020260287	1	44	-1.0	-42.16	363.96	8.07	-34.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020260288	0	41	-1.0	-45.13	341.28	7.15	-37.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020260288	1	41	-1.0	-45.16	341.24	7.13	-38.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020260289	0	51	-1.0	-42.74	426.83	9.02	-33.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020260289	1	51	-1.0	-42.73	426.89	9.03	-33.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020260290	0	48	-1.0	-44.17	393.80	8.14	-36.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020260290	1	48	-1.0	-44.23	393.74	8.12	-36.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020260291	0	50	-1.0	-40.80	393.20	9.92	-30.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020260291	1	50	-1.0	-40.84	393.26	9.94	-30.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020260292	0	47	-1.0	-44.00	359.28	7.63	-36.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020260292	1	47	-1.0	-44.03	359.22	7.61	-36.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020260293	0	43	-1.0	-41.53	364.78	6.40	-35.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020260293	1	43	-1.0	-41.55	364.83	6.41	-35.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020260294	0	40	-1.0	-43.31	330.73	5.70	-37.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020260294	1	40	-1.0	-43.34	330.67	5.68	-37.66
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020260295	0	47	-1.0	-44.01	380.46	8.44	-35.57
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020260295	1	47	-1.0	-43.90	380.49	8.43	-35.47
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1	REAL300020260296	0	44	-1.0	-42.03	363.07	8.59	-33.44
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC1	REAL300020260296	1	44	-1.0	-42.02	363.13	8.58	-33.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020260297	0	46	-1.0	-48.31	375.36	3.39	-44.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020260297	1	46	-1.0	-48.33	375.42	3.40	-44.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020260298	0	43	-1.0	-49.25	352.51	3.23	-46.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020260298	1	43	-1.0	-49.23	352.56	3.25	-45.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020260299	0	51	-1.0	-39.47	404.25	10.42	-29.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020260299	1	51	-1.0	-39.43	404.31	10.43	-29.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020260300	0	48	-1.0	-44.30	382.14	9.75	-34.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020260300	1	48	-1.0	-44.35	382.08	9.73	-34.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020260301	0	50	-1.0	-41.07	381.01	8.57	-32.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020260301	1	50	-1.0	-41.10	381.06	8.58	-32.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020260302	0	47	-1.0	-41.88	365.27	8.18	-33.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020260302	1	47	-1.0	-41.89	365.23	8.16	-33.73
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C2CCCCC21	REAL300020260303	0	54	-1.0	-44.32	402.08	10.06	-34.26
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C2CCCCC21	REAL300020260303	1	54	-1.0	-44.28	402.11	10.05	-34.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(Cl)C=C1)CC1CC1	REAL300020260304	0	50	-1.0	-45.24	429.91	11.23	-34.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(Cl)C=C1)CC1CC1	REAL300020260304	1	50	-1.0	-45.25	429.97	11.25	-34.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020260305	0	50	-1.0	-40.56	400.54	9.18	-31.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020260305	1	50	-1.0	-40.55	400.60	9.19	-31.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020260306	0	47	-1.0	-42.79	380.42	9.40	-33.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020260306	1	47	-1.0	-42.83	380.38	9.38	-33.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020260307	0	50	-1.0	-43.50	409.57	9.55	-33.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020260307	1	50	-1.0	-43.52	409.62	9.57	-33.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020260308	0	47	-1.0	-42.89	401.44	9.75	-33.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020260308	1	47	-1.0	-42.92	401.39	9.73	-33.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020260309	0	52	-1.0	-40.38	392.51	9.77	-30.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020260309	1	52	-1.0	-40.38	392.56	9.79	-30.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020260310	0	49	-1.0	-40.52	363.81	9.06	-31.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020260310	1	49	-1.0	-40.55	363.76	9.04	-31.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020260311	0	56	-1.0	-43.76	422.77	11.12	-32.64
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020260311	1	56	-1.0	-43.68	422.81	11.11	-32.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C)CC1	REAL300020260312	0	41	-1.0	-41.18	328.75	7.26	-33.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C)CC1	REAL300020260312	1	41	-1.0	-41.19	328.80	7.27	-33.92
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C)CC1	REAL300020260313	0	45	-1.0	-42.71	357.01	9.25	-33.46
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C)CC1	REAL300020260313	1	45	-1.0	-42.70	357.05	9.24	-33.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020260314	0	44	-1.0	-39.79	360.00	6.60	-33.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020260314	1	44	-1.0	-39.79	360.05	6.62	-33.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020260315	0	41	-1.0	-39.17	331.68	6.82	-32.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020260315	1	41	-1.0	-39.22	331.63	6.80	-32.42
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)C1C	REAL300020260316	0	48	-1.0	-41.43	392.08	8.71	-32.72
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)C1C	REAL300020260316	1	48	-1.0	-41.39	392.14	8.70	-32.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020260317	0	43	-1.0	-41.24	345.72	6.82	-34.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020260317	1	43	-1.0	-41.19	345.78	6.83	-34.36
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020260318	0	47	-1.0	-42.44	377.74	8.96	-33.48
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020260318	1	47	-1.0	-42.36	377.80	8.95	-33.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020260319	0	52	-1.0	-39.99	383.03	8.77	-31.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020260319	1	52	-1.0	-39.98	383.09	8.79	-31.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020260320	0	49	-1.0	-44.18	364.10	8.08	-36.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020260320	1	49	-1.0	-44.18	364.04	8.05	-36.13
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020260321	0	56	-1.0	-42.40	427.79	10.05	-32.35
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020260321	1	56	-1.0	-42.41	427.83	10.04	-32.37
C#CCN(CC#CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020260322	0	40	-1.0	-40.59	351.20	7.76	-32.83
C#CCN(CC#CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020260322	1	40	-1.0	-40.60	351.26	7.77	-32.83
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020260323	0	44	-1.0	-42.33	374.86	9.91	-32.42
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020260323	1	44	-1.0	-42.35	374.87	9.90	-32.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(C)C1	REAL300020260324	0	44	-1.0	-39.91	351.31	7.30	-32.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(C)C1	REAL300020260324	1	44	-1.0	-39.87	351.37	7.32	-32.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(C)C1	REAL300020260325	0	41	-1.0	-43.49	330.87	6.59	-36.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(C)C1	REAL300020260325	1	41	-1.0	-43.42	330.81	6.56	-36.86
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)=C(C)C1	REAL300020260326	0	48	-1.0	-42.76	374.24	9.81	-32.95
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)=C(C)C1	REAL300020260326	1	48	-1.0	-42.81	374.28	9.80	-33.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CCC1	REAL300020260327	0	46	-1.0	-39.24	370.06	7.60	-31.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CCC1	REAL300020260327	1	46	-1.0	-39.23	370.11	7.61	-31.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CCC1	REAL300020260328	0	43	-1.0	-44.20	341.33	6.77	-37.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CCC1	REAL300020260328	1	43	-1.0	-44.18	341.28	6.74	-37.44
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CCC1	REAL300020260329	0	50	-1.0	-41.53	390.49	9.49	-32.04
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CCC1	REAL300020260329	1	50	-1.0	-41.52	390.54	9.48	-32.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020260330	0	45	-1.0	-41.24	354.36	8.01	-33.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020260330	1	45	-1.0	-41.25	354.41	8.03	-33.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020260331	0	42	-1.0	-41.38	326.38	7.31	-34.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020260331	1	42	-1.0	-41.37	326.34	7.29	-34.08
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020260332	0	49	-1.0	-41.57	377.48	9.79	-31.78
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020260332	1	49	-1.0	-41.58	377.51	9.78	-31.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCSC	REAL300020260333	0	40	-1.0	-41.93	347.24	6.54	-35.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCSC	REAL300020260333	1	40	-1.0	-41.90	347.29	6.56	-35.34
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCSC	REAL300020260334	0	44	-1.0	-43.10	378.67	8.62	-34.48
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCSC	REAL300020260334	1	44	-1.0	-43.08	378.72	8.62	-34.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020260335	0	55	-1.0	-41.58	417.58	8.64	-32.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020260335	1	55	-1.0	-41.54	417.64	8.66	-32.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020260336	0	52	-1.0	-42.03	410.37	8.19	-33.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020260336	1	52	-1.0	-42.03	410.31	8.17	-33.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020260337	0	48	-1.0	-41.24	408.54	6.78	-34.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020260337	1	48	-1.0	-41.25	408.48	6.76	-34.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020260338	0	45	-1.0	-43.25	386.95	5.99	-37.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020260338	1	45	-1.0	-43.23	386.89	5.97	-37.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020260339	0	54	-1.0	-43.60	431.51	10.01	-33.59
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020260339	1	54	-1.0	-43.59	431.56	10.02	-33.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020260340	0	51	-1.0	-48.02	406.66	8.88	-39.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020260340	1	51	-1.0	-48.03	406.61	8.85	-39.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020260341	0	50	-1.0	-43.16	408.63	11.08	-32.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020260341	1	50	-1.0	-43.19	408.69	11.09	-32.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020260342	0	47	-1.0	-46.46	387.98	10.42	-36.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020260342	1	47	-1.0	-46.46	387.92	10.39	-36.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020260343	0	49	-1.0	-42.74	403.99	10.42	-32.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020260343	1	49	-1.0	-42.76	404.04	10.43	-32.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020260344	0	46	-1.0	-42.40	389.35	9.69	-32.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020260344	1	46	-1.0	-42.39	389.41	9.71	-32.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)CC1	REAL300020260345	0	49	-1.0	-38.57	378.23	8.54	-30.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)CC1	REAL300020260345	1	49	-1.0	-38.57	378.29	8.55	-30.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)CC1	REAL300020260346	0	46	-1.0	-43.59	355.33	7.88	-35.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)CC1	REAL300020260346	1	46	-1.0	-43.57	355.28	7.86	-35.71
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC)CC1	REAL300020260347	0	53	-1.0	-41.94	405.24	10.76	-31.18
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC)CC1	REAL300020260347	1	53	-1.0	-41.92	405.23	10.75	-31.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020260348	0	54	0.0	-63.69	416.54	10.17	-53.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020260348	1	54	0.0	-70.26	417.27	10.30	-59.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020260348	1	54	0.0	-63.67	416.59	10.18	-53.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020260348	1	54	0.0	-70.25	417.32	10.31	-59.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(SC)C1	REAL300020260349	0	47	-1.0	-41.46	368.66	8.60	-32.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(SC)C1	REAL300020260349	1	47	-1.0	-41.44	368.72	8.62	-32.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(SC)C1	REAL300020260350	0	44	-1.0	-43.52	358.33	7.70	-35.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(SC)C1	REAL300020260350	1	44	-1.0	-43.54	358.29	7.69	-35.85
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(SC)C1	REAL300020260351	0	51	-1.0	-42.62	406.66	10.55	-32.07
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(SC)C1	REAL300020260351	1	51	-1.0	-42.55	406.74	10.54	-32.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020260352	0	54	-1.0	-41.75	395.86	6.85	-34.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020260352	1	54	-1.0	-41.77	395.91	6.86	-34.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020260353	0	51	-1.0	-44.81	389.13	7.51	-37.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020260353	1	51	-1.0	-44.73	389.08	7.49	-37.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020260354	0	49	-1.0	-38.44	370.69	9.23	-29.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020260354	1	49	-1.0	-38.49	370.75	9.24	-29.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020260355	0	46	-1.0	-41.10	346.13	8.49	-32.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020260355	1	46	-1.0	-41.08	346.09	8.47	-32.61
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020260356	0	53	-1.0	-42.14	395.59	11.33	-30.81
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020260356	1	53	-1.0	-42.18	395.59	11.32	-30.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020260357	0	48	-1.0	-41.79	378.44	6.93	-34.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020260357	1	48	-1.0	-41.80	378.50	6.94	-34.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020260358	0	45	-1.0	-45.00	353.89	5.37	-39.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020260358	1	45	-1.0	-45.01	353.83	5.34	-39.67
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCCO1	REAL300020260359	0	52	-1.0	-42.26	396.95	8.28	-33.98
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCCO1	REAL300020260359	1	52	-1.0	-42.23	396.97	8.27	-33.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020260360	0	51	-1.0	-42.69	412.94	9.96	-32.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020260360	1	51	-1.0	-42.71	413.00	9.97	-32.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020260361	0	48	-1.0	-46.40	391.57	9.24	-37.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020260361	1	48	-1.0	-46.39	391.51	9.22	-37.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCCC21	REAL300020260362	0	54	-1.0	-47.71	414.20	10.54	-37.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCCC21	REAL300020260362	1	54	-1.0	-47.69	414.14	10.51	-37.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020260363	0	50	-1.0	-39.77	389.24	8.37	-31.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020260363	1	50	-1.0	-39.78	389.30	8.38	-31.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020260364	0	47	-1.0	-42.83	363.18	8.16	-34.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020260364	1	47	-1.0	-42.80	363.12	8.13	-34.67
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020260365	0	54	-1.0	-42.27	411.03	10.88	-31.39
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020260365	1	54	-1.0	-42.27	411.06	10.87	-31.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020260366	0	49	-1.0	-43.41	413.92	9.76	-33.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020260366	1	49	-1.0	-43.38	413.98	9.77	-33.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020260367	0	46	-1.0	-45.63	390.60	9.94	-35.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020260367	1	46	-1.0	-45.59	390.54	9.92	-35.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020260368	0	51	-1.0	-40.94	386.69	6.77	-34.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020260368	1	51	-1.0	-40.95	386.75	6.78	-34.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020260369	0	48	-1.0	-43.04	367.83	6.06	-36.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020260369	1	48	-1.0	-43.04	367.88	6.08	-36.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020260370	0	48	-1.0	-44.68	378.93	4.30	-40.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020260370	1	48	-1.0	-44.69	378.99	4.32	-40.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020260371	0	45	-1.0	-46.39	342.69	2.91	-43.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020260371	1	45	-1.0	-46.40	342.63	2.89	-43.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020260372	0	50	0.0	-62.48	388.78	8.77	-53.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020260372	1	50	0.0	-64.02	373.83	8.62	-55.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020260372	1	50	0.0	-62.48	388.84	8.78	-53.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020260372	1	50	0.0	-64.03	373.89	8.63	-55.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020260373	0	47	0.0	-61.04	351.13	8.42	-52.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020260373	1	47	0.0	-59.50	367.39	7.82	-51.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020260373	1	47	0.0	-61.04	351.08	8.41	-52.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020260373	1	47	0.0	-59.50	367.33	7.79	-51.71
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020260374	0	54	0.0	-67.80	403.74	10.94	-56.86
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020260374	1	54	0.0	-65.74	411.84	10.28	-55.46
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020260374	1	54	0.0	-67.78	403.76	10.93	-56.85
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020260374	1	54	0.0	-65.76	411.89	10.28	-55.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020260375	0	56	0.0	-66.38	406.29	10.04	-56.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020260375	1	56	0.0	-67.22	401.26	8.85	-58.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020260375	1	56	0.0	-66.41	406.35	10.06	-56.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020260375	1	56	0.0	-67.28	401.31	8.86	-58.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020260376	0	53	0.0	-61.13	394.88	9.12	-52.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020260376	1	53	0.0	-60.56	398.58	8.92	-51.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020260376	1	53	0.0	-61.11	394.92	9.14	-51.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020260376	1	53	0.0	-60.59	398.63	8.94	-51.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)OCC(C)C)CC1	REAL300020260377	0	54	-1.0	-43.18	433.72	8.10	-35.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)OCC(C)C)CC1	REAL300020260377	1	54	-1.0	-43.22	433.77	8.12	-35.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(C2=CC=C(F)C=C2)CC1	REAL300020260378	0	52	-1.0	-43.46	412.29	8.04	-35.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(C2=CC=C(F)C=C2)CC1	REAL300020260378	1	52	-1.0	-43.52	412.35	8.06	-35.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020260379	0	47	-1.0	-40.93	360.58	7.09	-33.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020260379	1	47	-1.0	-40.92	360.64	7.10	-33.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020260380	0	44	-1.0	-44.05	341.11	6.89	-37.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020260380	1	44	-1.0	-43.99	341.07	6.87	-37.12
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020260381	0	51	-1.0	-42.42	388.52	9.59	-32.83
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020260381	1	51	-1.0	-42.41	388.56	9.58	-32.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=C(F)C=CC=C1F	REAL300020260382	0	46	-1.0	-43.73	378.87	8.15	-35.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=C(F)C=CC=C1F	REAL300020260382	1	46	-1.0	-43.76	378.94	8.17	-35.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=C(F)C=CC=C1F	REAL300020260383	0	43	-1.0	-47.86	361.30	7.54	-40.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=C(F)C=CC=C1F	REAL300020260383	1	43	-1.0	-47.85	361.25	7.51	-40.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300020260384	0	41	-1.0	-44.51	362.24	8.98	-35.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300020260384	1	41	-1.0	-44.45	362.30	9.00	-35.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020260385	0	51	-1.0	-41.75	415.50	11.15	-30.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020260385	1	51	-1.0	-41.74	415.55	11.17	-30.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020260386	0	48	-1.0	-43.61	393.22	10.53	-33.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020260386	1	48	-1.0	-43.63	393.17	10.51	-33.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020260387	0	53	-1.0	-39.98	403.73	10.05	-29.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020260387	1	53	-1.0	-39.95	403.79	10.06	-29.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020260388	0	50	-1.0	-43.46	381.57	9.23	-34.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020260388	1	50	-1.0	-43.47	381.51	9.20	-34.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020260389	0	48	-1.0	-43.88	403.92	9.76	-34.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020260389	1	48	-1.0	-43.87	403.97	9.77	-34.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020260390	0	45	-1.0	-46.46	382.47	9.00	-37.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020260390	1	45	-1.0	-46.44	382.41	8.97	-37.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020260391	0	54	-1.0	-43.06	435.92	10.68	-32.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020260391	1	54	-1.0	-43.06	435.98	10.69	-32.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020260392	0	51	-1.0	-45.32	413.05	9.86	-35.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020260392	1	51	-1.0	-45.36	412.99	9.84	-35.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(CC)C=C2)CC1	REAL300020260393	0	54	-1.0	-38.91	444.78	11.69	-27.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(CC)C=C2)CC1	REAL300020260393	1	54	-1.0	-38.89	444.84	11.70	-27.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(CC)C=C2)CC1	REAL300020260394	0	51	-1.0	-43.09	412.72	10.99	-32.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(CC)C=C2)CC1	REAL300020260394	1	51	-1.0	-43.06	412.67	10.96	-32.10
C=CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC=C)C1CC1	REAL300020260395	0	41	-1.0	-39.00	342.53	7.51	-31.49
C=CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC=C)C1CC1	REAL300020260395	1	41	-1.0	-39.05	342.59	7.52	-31.53
C=CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C)C1CC1	REAL300020260396	0	45	-1.0	-42.83	371.19	9.12	-33.71
C=CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C)C1CC1	REAL300020260396	1	45	-1.0	-42.72	371.24	9.11	-33.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020260397	0	53	-1.0	-40.09	424.22	10.83	-29.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020260397	1	53	-1.0	-40.11	424.27	10.85	-29.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020260398	0	50	-1.0	-41.56	400.26	10.17	-31.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020260398	1	50	-1.0	-41.60	400.30	10.18	-31.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020260399	0	49	-1.0	-39.70	411.78	8.30	-31.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020260399	1	49	-1.0	-39.74	411.84	8.31	-31.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020260400	0	46	-1.0	-42.06	391.88	7.54	-34.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020260400	1	46	-1.0	-42.05	391.93	7.56	-34.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020260401	0	45	-1.0	-39.02	387.10	5.29	-33.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020260401	1	45	-1.0	-38.99	387.05	5.27	-33.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020260402	0	49	-1.0	-39.70	411.78	8.30	-31.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020260402	1	49	-1.0	-39.74	411.84	8.31	-31.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020260403	0	46	-1.0	-42.06	391.88	7.54	-34.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020260403	1	46	-1.0	-42.05	391.93	7.56	-34.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C3CCCCN32)CC1	REAL300020260404	0	53	-1.0	-46.72	416.45	9.45	-37.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C3CCCCN32)CC1	REAL300020260404	1	53	-1.0	-46.73	416.50	9.46	-37.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020260405	0	48	-1.0	-41.92	407.89	9.68	-32.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020260405	1	48	-1.0	-41.90	407.95	9.69	-32.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020260406	0	45	-1.0	-42.84	393.69	9.16	-33.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020260406	1	45	-1.0	-42.85	393.63	9.13	-33.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020260407	0	51	-1.0	-45.47	418.22	7.79	-37.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020260407	1	51	-1.0	-45.46	418.27	7.80	-37.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020260408	0	48	-1.0	-46.40	399.18	7.09	-39.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020260408	1	48	-1.0	-46.41	399.12	7.07	-39.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(COC)C1	REAL300020260409	0	50	-1.0	-41.82	378.68	6.67	-35.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(COC)C1	REAL300020260409	1	50	-1.0	-41.84	378.74	6.68	-35.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(COC)C1	REAL300020260410	0	47	-1.0	-44.27	362.19	6.65	-37.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(COC)C1	REAL300020260410	1	47	-1.0	-44.26	362.14	6.62	-37.64
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(COC)C1	REAL300020260411	0	54	-1.0	-42.40	408.85	9.24	-33.16
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(COC)C1	REAL300020260411	1	54	-1.0	-42.33	408.89	9.24	-33.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1CC	REAL300020260412	0	46	-1.0	-40.79	357.18	6.71	-34.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1CC	REAL300020260412	1	46	-1.0	-40.78	357.24	6.72	-34.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1CC	REAL300020260413	0	43	-1.0	-43.09	339.56	6.08	-37.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1CC	REAL300020260413	1	43	-1.0	-43.12	339.50	6.05	-37.07
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1CC	REAL300020260414	0	50	-1.0	-42.22	388.10	8.74	-33.48
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1CC	REAL300020260414	1	50	-1.0	-42.22	388.11	8.72	-33.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(COC)CC1	REAL300020260415	0	45	-1.0	-41.60	367.15	6.01	-35.59
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(COC)CC1	REAL300020260415	1	45	-1.0	-41.66	367.21	6.02	-35.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(COC)CC1	REAL300020260416	0	42	-1.0	-44.29	338.95	5.81	-38.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(COC)CC1	REAL300020260416	1	42	-1.0	-44.29	338.90	5.79	-38.50
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(COC)CC1	REAL300020260417	0	49	-1.0	-43.11	388.69	8.54	-34.57
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(COC)CC1	REAL300020260417	1	49	-1.0	-43.07	388.72	8.53	-34.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1C	REAL300020260418	0	46	-1.0	-42.16	355.14	7.84	-34.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1C	REAL300020260418	1	46	-1.0	-42.14	355.20	7.86	-34.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1C	REAL300020260419	0	43	-1.0	-45.28	333.40	7.04	-38.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1C	REAL300020260419	1	43	-1.0	-45.26	333.34	7.01	-38.25
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)C1C	REAL300020260420	0	50	-1.0	-43.36	383.30	9.76	-33.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)C1C	REAL300020260420	1	50	-1.0	-43.37	383.33	9.75	-33.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020260421	0	50	-1.0	-40.47	394.66	10.08	-30.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020260421	1	50	-1.0	-40.47	394.72	10.10	-30.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020260422	0	47	-1.0	-43.33	381.23	9.43	-33.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020260422	1	47	-1.0	-43.30	381.17	9.40	-33.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020260423	0	53	-1.0	-39.62	413.65	10.86	-28.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020260423	1	53	-1.0	-39.60	413.70	10.87	-28.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020260424	0	50	-1.0	-45.15	384.31	10.28	-34.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020260424	1	50	-1.0	-45.15	384.25	10.27	-34.88
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020260425	0	51	-1.0	-39.83	404.51	7.72	-32.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020260425	1	51	-1.0	-39.83	404.57	7.73	-32.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020260426	0	48	-1.0	-47.00	392.75	9.04	-37.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020260426	1	48	-1.0	-47.06	392.69	9.02	-38.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020260427	0	53	-1.0	-41.44	417.96	10.22	-31.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020260427	1	53	-1.0	-41.42	418.01	10.23	-31.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020260428	0	50	-1.0	-43.29	399.04	9.51	-33.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020260428	1	50	-1.0	-43.32	398.98	9.49	-33.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCSC	REAL300020260429	0	43	-1.0	-40.17	368.74	7.33	-32.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCSC	REAL300020260429	1	43	-1.0	-40.20	368.79	7.34	-32.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCSC	REAL300020260430	0	40	-1.0	-42.07	350.01	6.65	-35.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCSC	REAL300020260430	1	40	-1.0	-42.06	349.96	6.63	-35.43
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCSC	REAL300020260431	0	47	-1.0	-41.65	400.17	9.40	-32.25
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCSC	REAL300020260431	1	47	-1.0	-41.55	400.22	9.39	-32.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020260432	0	56	-1.0	-41.78	434.82	10.80	-30.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020260432	1	56	-1.0	-41.79	434.88	10.81	-30.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020260433	0	53	-1.0	-44.36	419.32	10.21	-34.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020260433	1	53	-1.0	-44.33	419.27	10.18	-34.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C#N)C=C1	REAL300020260434	0	51	-1.0	-41.54	423.39	8.30	-33.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C#N)C=C1	REAL300020260434	1	51	-1.0	-41.61	423.45	8.32	-33.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C#N)C=C1	REAL300020260435	0	48	-1.0	-46.80	405.04	7.20	-39.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C#N)C=C1	REAL300020260435	1	48	-1.0	-46.78	404.98	7.18	-39.60
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C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020260438	1	47	-1.0	-44.86	372.13	6.55	-38.31
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C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020260440	0	46	-1.0	-42.43	366.42	6.19	-36.24
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C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020260442	0	47	-1.0	-39.07	380.35	9.27	-29.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020260442	1	47	-1.0	-39.12	380.41	9.28	-29.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020260443	0	44	-1.0	-43.68	360.56	8.55	-35.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020260443	1	44	-1.0	-43.69	360.50	8.53	-35.16
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020260444	0	51	-1.0	-41.56	400.79	11.45	-30.11
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020260444	1	51	-1.0	-41.50	400.86	11.44	-30.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020260445	0	41	-1.0	-41.30	329.62	4.64	-36.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020260445	1	41	-1.0	-41.31	329.68	4.65	-36.66
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020260446	0	45	-1.0	-42.72	361.05	6.71	-36.01
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020260446	1	45	-1.0	-42.75	361.10	6.70	-36.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC#N	REAL300020260447	0	40	-1.0	-43.86	332.53	6.54	-37.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC#N	REAL300020260447	1	40	-1.0	-43.92	332.58	6.55	-37.37
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020260448	0	44	-1.0	-49.31	353.51	8.39	-40.92
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020260448	1	44	-1.0	-49.29	353.54	8.38	-40.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020260449	0	44	-1.0	-42.01	366.60	7.30	-34.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020260449	1	44	-1.0	-42.01	366.66	7.31	-34.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020260450	0	41	-1.0	-42.65	346.24	6.54	-36.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020260450	1	41	-1.0	-42.63	346.18	6.52	-36.11
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020260451	0	48	-1.0	-43.89	398.30	9.39	-34.50
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020260451	1	48	-1.0	-43.90	398.62	9.44	-34.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CCOC	REAL300020260452	0	44	-1.0	-44.10	367.22	4.85	-39.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CCOC	REAL300020260452	1	44	-1.0	-44.10	367.28	4.86	-39.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CCOC	REAL300020260453	0	41	-1.0	-44.72	349.39	4.20	-40.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CCOC	REAL300020260453	1	41	-1.0	-44.75	349.33	4.18	-40.57
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CCOC	REAL300020260454	0	48	-1.0	-46.00	398.93	6.94	-39.06
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CCOC	REAL300020260454	1	48	-1.0	-45.96	398.97	6.93	-39.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CCC(C)C	REAL300020260455	0	49	-1.0	-42.25	406.23	8.33	-33.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CCC(C)C	REAL300020260455	1	49	-1.0	-42.21	406.28	8.34	-33.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CCC(C)C	REAL300020260456	0	46	-1.0	-43.21	376.29	7.12	-36.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CCC(C)C	REAL300020260456	1	46	-1.0	-43.19	376.23	7.09	-36.10
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CCC(C)C	REAL300020260457	0	53	-1.0	-44.02	424.44	9.92	-34.10
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CCC(C)C	REAL300020260457	1	53	-1.0	-44.08	424.47	9.92	-34.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2C#N)CC1	REAL300020260458	0	50	-1.0	-51.18	409.79	8.98	-42.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2C#N)CC1	REAL300020260458	1	50	-1.0	-51.19	409.85	9.01	-42.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020260459	0	41	-1.0	-41.72	317.59	2.22	-39.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020260459	1	41	-1.0	-41.72	317.65	2.23	-39.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020260460	0	38	-1.0	-43.17	310.40	2.85	-40.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020260460	1	38	-1.0	-43.19	310.34	2.82	-40.37
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020260461	0	45	-1.0	-44.52	345.61	4.19	-40.33
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020260461	1	45	-1.0	-44.48	345.66	4.19	-40.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020260462	0	53	-1.0	-41.58	424.06	8.38	-33.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020260462	1	53	-1.0	-41.63	424.12	8.39	-33.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020260463	0	50	-1.0	-43.26	402.41	8.55	-34.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020260463	1	50	-1.0	-43.29	402.37	8.53	-34.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020260464	0	56	0.0	-69.50	439.42	9.89	-59.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020260464	1	56	0.0	-69.52	439.49	9.92	-59.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CCCC1	REAL300020260465	0	50	-1.0	-46.04	389.39	8.63	-37.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CCCC1	REAL300020260465	1	50	-1.0	-46.02	389.38	8.61	-37.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020260466	0	47	-1.0	-40.49	374.00	9.45	-31.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020260466	1	47	-1.0	-40.46	374.06	9.46	-31.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020260467	0	44	-1.0	-44.68	350.75	8.66	-36.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020260467	1	44	-1.0	-44.65	350.69	8.64	-36.01
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020260468	0	51	-1.0	-43.13	400.41	11.40	-31.73
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020260468	1	51	-1.0	-43.10	400.45	11.40	-31.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020260469	0	43	-1.0	-41.47	361.99	8.16	-33.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020260469	1	43	-1.0	-41.49	362.05	8.17	-33.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020260470	0	40	-1.0	-41.18	334.40	7.26	-33.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020260470	1	40	-1.0	-41.08	334.36	7.23	-33.85
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020260471	0	47	-1.0	-41.18	386.38	9.82	-31.36
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020260471	1	47	-1.0	-41.14	386.37	9.80	-31.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C2=CC=CC=C2)C1	REAL300020260472	0	51	-1.0	-44.24	418.83	11.56	-32.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C2=CC=CC=C2)C1	REAL300020260472	1	51	-1.0	-44.22	418.77	11.53	-32.69
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC1	REAL300020260473	0	42	-1.0	-41.91	344.72	8.69	-33.22
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC1	REAL300020260473	1	42	-1.0	-41.89	344.82	8.67	-33.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=C(C)C=C(C)C=C1C	REAL300020260474	0	53	-1.0	-44.65	434.79	8.39	-36.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=C(C)C=C(C)C=C1C	REAL300020260474	1	53	-1.0	-44.64	434.86	8.42	-36.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(C(F)(F)F)C=C1	REAL300020260475	0	46	-1.0	-42.02	399.87	8.77	-33.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(C(F)(F)F)C=C1	REAL300020260475	1	46	-1.0	-42.01	399.93	8.80	-33.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020260476	0	51	-1.0	-40.87	415.39	7.26	-33.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020260476	1	51	-1.0	-40.92	415.45	7.28	-33.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020260477	0	48	-1.0	-42.59	391.66	6.59	-36.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020260477	1	48	-1.0	-42.59	391.71	6.62	-35.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1	REAL300020260478	0	49	-1.0	-42.97	402.47	8.90	-34.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1	REAL300020260478	1	49	-1.0	-42.94	402.53	8.91	-34.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1	REAL300020260479	0	46	-1.0	-48.43	381.03	8.09	-40.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1	REAL300020260479	1	46	-1.0	-48.46	380.97	8.07	-40.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC2=CC=CC=C2C=C1	REAL300020260480	0	52	-1.0	-41.96	416.65	10.49	-31.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC2=CC=CC=C2C=C1	REAL300020260480	1	52	-1.0	-41.96	416.71	10.50	-31.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC2=CC=CC=C2C=C1	REAL300020260481	0	49	-1.0	-45.59	399.36	9.90	-35.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC2=CC=CC=C2C=C1	REAL300020260481	1	49	-1.0	-45.52	399.31	9.87	-35.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(OC)C=C1OC	REAL300020260482	0	54	-1.0	-41.46	437.59	7.97	-33.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(OC)C=C1OC	REAL300020260482	1	54	-1.0	-41.48	437.65	7.98	-33.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(OC)C=C1OC	REAL300020260483	0	51	-1.0	-46.27	415.57	7.17	-39.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(OC)C=C1OC	REAL300020260483	1	51	-1.0	-46.28	415.51	7.14	-39.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)CC	REAL300020260484	0	51	-1.0	-41.35	393.38	8.97	-32.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)CC	REAL300020260484	1	51	-1.0	-41.33	393.43	8.98	-32.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)CC	REAL300020260485	0	48	-1.0	-46.44	371.28	9.68	-36.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)CC	REAL300020260485	1	48	-1.0	-46.46	371.22	9.65	-36.81
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(CC)CC	REAL300020260486	0	55	-1.0	-42.82	425.36	11.08	-31.74
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(CC)CC	REAL300020260486	1	55	-1.0	-42.80	425.39	11.07	-31.73
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C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020260590	0	38	-1.0	-43.54	325.63	4.63	-38.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020260590	1	38	-1.0	-43.56	325.69	4.66	-38.90
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020260591	0	45	-1.0	-43.25	374.85	7.30	-35.95
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020260591	1	45	-1.0	-43.29	374.86	7.29	-36.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCNC(C)=O)CC1=CSC=C1	REAL300020260592	0	47	-1.0	-47.82	414.87	5.58	-42.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCNC(C)=O)CC1=CSC=C1	REAL300020260592	1	47	-1.0	-47.82	414.82	5.56	-42.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020260593	0	44	-1.0	-41.77	357.57	7.84	-33.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020260593	1	44	-1.0	-41.75	357.62	7.86	-33.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020260594	0	41	-1.0	-44.47	334.70	7.01	-37.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020260594	1	41	-1.0	-44.49	334.64	6.98	-37.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020260595	0	48	-1.0	-44.41	383.95	9.78	-34.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020260595	1	48	-1.0	-44.37	383.99	9.77	-34.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020260596	0	53	-1.0	-40.32	389.58	9.15	-31.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020260596	1	53	-1.0	-40.27	389.63	9.17	-31.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020260597	0	50	-1.0	-44.93	374.17	8.57	-36.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020260597	1	50	-1.0	-44.93	374.11	8.55	-36.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020260598	0	43	-1.0	-52.36	364.57	2.86	-49.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020260598	1	43	-1.0	-52.35	364.63	2.87	-49.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020260599	0	40	-1.0	-48.78	347.56	2.18	-46.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020260599	1	40	-1.0	-48.80	347.50	2.15	-46.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020260600	0	50	-1.0	-42.46	408.39	4.76	-37.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020260600	1	50	-1.0	-42.43	408.45	4.77	-37.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020260601	0	47	-1.0	-43.56	386.94	4.00	-39.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020260601	1	47	-1.0	-43.58	386.88	3.97	-39.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CCC	REAL300020260602	0	45	-1.0	-41.64	356.16	6.79	-34.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CCC	REAL300020260602	1	45	-1.0	-41.65	356.22	6.80	-34.85
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC)CCC	REAL300020260603	0	49	-1.0	-42.68	387.56	8.89	-33.79
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC)CCC	REAL300020260603	1	49	-1.0	-42.68	387.60	8.88	-33.80
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020260604	0	41	-1.0	-38.74	347.32	7.39	-31.35
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020260604	1	41	-1.0	-38.73	347.26	7.38	-31.35
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020260605	0	45	-1.0	-41.35	378.62	9.39	-31.96
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020260605	1	45	-1.0	-41.30	378.66	9.39	-31.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CCOC	REAL300020260606	0	47	-1.0	-44.80	376.51	3.57	-41.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CCOC	REAL300020260606	1	47	-1.0	-44.81	376.56	3.58	-41.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CCOC	REAL300020260607	0	44	-1.0	-43.10	370.55	3.35	-39.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CCOC	REAL300020260607	1	44	-1.0	-43.14	370.49	3.32	-39.82
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)CCOC	REAL300020260608	0	51	-1.0	-45.30	408.51	5.56	-39.74
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)CCOC	REAL300020260608	1	51	-1.0	-45.31	408.55	5.54	-39.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020260609	0	47	-1.0	-42.00	379.47	4.90	-37.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020260609	1	47	-1.0	-41.96	379.53	4.92	-37.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020260610	0	44	-1.0	-45.23	359.97	4.64	-40.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020260610	1	44	-1.0	-45.19	359.91	4.61	-40.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCCCC1	REAL300020260611	0	49	-1.0	-41.71	381.35	7.44	-34.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCCCC1	REAL300020260611	1	49	-1.0	-41.69	381.40	7.46	-34.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCCCC1	REAL300020260612	0	46	-1.0	-44.11	363.58	6.65	-37.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCCCC1	REAL300020260612	1	46	-1.0	-44.10	363.51	6.62	-37.48
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CCCCC1	REAL300020260613	0	53	-1.0	-42.98	412.97	9.20	-33.78
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CCCCC1	REAL300020260613	1	53	-1.0	-42.93	413.00	9.20	-33.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020260614	0	46	-1.0	-40.46	380.40	8.56	-31.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020260614	1	46	-1.0	-40.46	380.46	8.57	-31.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020260615	0	43	-1.0	-43.09	362.38	7.97	-35.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020260615	1	43	-1.0	-43.04	362.32	7.94	-35.10
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020260616	0	50	-1.0	-41.62	412.21	10.54	-31.08
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020260616	1	50	-1.0	-41.63	412.25	10.53	-31.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020260617	0	46	-1.0	-38.71	351.64	8.78	-29.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020260617	1	46	-1.0	-38.72	351.69	8.79	-29.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020260618	0	43	-1.0	-41.17	331.78	8.06	-33.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020260618	1	43	-1.0	-41.21	331.72	8.03	-33.18
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCC1	REAL300020260619	0	50	-1.0	-42.63	369.19	10.71	-31.92
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCC1	REAL300020260619	1	50	-1.0	-42.64	369.23	10.70	-31.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCCC	REAL300020260620	0	45	-1.0	-41.10	353.73	6.80	-34.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCCC	REAL300020260620	1	45	-1.0	-41.10	353.79	6.82	-34.28
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCCC	REAL300020260621	0	49	-1.0	-42.37	386.29	8.94	-33.43
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCCC	REAL300020260621	1	49	-1.0	-42.33	386.33	8.94	-33.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1CC1	REAL300020260622	0	46	-1.0	-41.29	367.24	7.57	-33.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1CC1	REAL300020260622	1	46	-1.0	-41.26	367.30	7.59	-33.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1CC1	REAL300020260623	0	43	-1.0	-42.37	349.58	6.92	-35.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1CC1	REAL300020260623	1	43	-1.0	-42.36	349.53	6.90	-35.46
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC)CC1CC1	REAL300020260624	0	50	-1.0	-42.05	402.54	10.41	-31.64
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC)CC1CC1	REAL300020260624	1	50	-1.0	-42.03	402.56	10.40	-31.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(=C)C	REAL300020260625	0	43	-1.0	-40.58	344.45	6.40	-34.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(=C)C	REAL300020260625	1	43	-1.0	-40.55	344.51	6.41	-34.14
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(=C)C	REAL300020260626	0	47	-1.0	-42.07	377.39	8.60	-33.47
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(=C)C	REAL300020260626	1	47	-1.0	-42.06	377.41	8.60	-33.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020260627	0	48	-1.0	-49.08	407.19	6.74	-42.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020260627	1	48	-1.0	-49.08	407.11	6.70	-42.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020260628	0	50	-1.0	-41.15	397.21	7.74	-33.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020260628	1	50	-1.0	-41.07	397.26	7.76	-33.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020260629	0	47	-1.0	-44.89	382.33	7.04	-37.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020260629	1	47	-1.0	-44.87	382.26	7.01	-37.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020260630	0	46	-1.0	-49.88	395.28	8.32	-41.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020260630	1	46	-1.0	-49.86	395.22	8.30	-41.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020260631	0	50	-1.0	-41.69	423.95	10.20	-31.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020260631	1	50	-1.0	-41.71	424.00	10.22	-31.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020260632	0	47	-1.0	-45.95	392.63	8.94	-37.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020260632	1	47	-1.0	-45.92	392.58	8.91	-37.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020260633	0	51	-1.0	-42.94	410.77	9.41	-33.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020260633	1	51	-1.0	-42.94	410.83	9.42	-33.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020260634	0	48	-1.0	-46.05	380.04	6.94	-39.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020260634	1	48	-1.0	-46.03	379.97	6.91	-39.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020260635	0	50	-1.0	-52.19	406.35	8.52	-43.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020260635	1	50	-1.0	-52.15	406.29	8.51	-43.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020260636	0	47	-1.0	-43.30	396.07	7.76	-35.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020260636	1	47	-1.0	-43.27	396.13	7.77	-35.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020260637	0	44	-1.0	-45.15	386.08	7.70	-37.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020260637	1	44	-1.0	-45.14	386.02	7.68	-37.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)S1	REAL300020260638	0	43	-1.0	-38.16	389.34	8.45	-29.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)S1	REAL300020260638	1	43	-1.0	-38.18	389.40	8.47	-29.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)S1	REAL300020260639	0	40	-1.0	-39.66	367.89	7.68	-31.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)S1	REAL300020260639	1	40	-1.0	-39.67	367.83	7.66	-32.01
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020260640	0	44	-1.0	-38.33	402.31	8.95	-29.38
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020260640	1	44	-1.0	-38.32	402.37	8.96	-29.36
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020260641	0	41	-1.0	-43.87	375.62	8.01	-35.86
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020260641	1	41	-1.0	-43.80	375.57	7.98	-35.82
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020260642	0	44	-1.0	-39.13	385.30	8.34	-30.79
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C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020260666	1	41	-1.0	-43.00	345.71	7.41	-35.59
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C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020260668	0	49	-1.0	-46.92	404.51	9.81	-37.11
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C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020260669	0	46	-1.0	-47.02	375.63	9.42	-37.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020260669	1	46	-1.0	-47.04	375.58	9.40	-37.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSC	REAL300020260670	0	46	-1.0	-40.12	379.78	8.19	-31.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSC	REAL300020260670	1	46	-1.0	-40.13	379.84	8.20	-31.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSC	REAL300020260671	0	43	-1.0	-41.94	361.44	7.54	-34.40
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C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020260674	0	36	-1.0	-45.81	319.15	4.95	-40.86
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C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020260679	1	52	0.0	-66.04	383.76	7.87	-58.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020260680	0	49	0.0	-65.38	365.21	6.22	-59.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020260680	1	49	0.0	-65.28	359.32	7.27	-58.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020260680	1	49	0.0	-65.34	365.16	6.19	-59.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020260680	1	49	0.0	-65.30	359.28	7.27	-58.03
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020260681	0	56	0.0	-69.51	410.70	10.32	-59.19
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020260681	1	56	0.0	-70.00	409.45	10.57	-59.43
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020260681	1	56	0.0	-69.45	410.73	10.31	-59.14
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020260681	1	56	0.0	-69.99	409.49	10.56	-59.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020260682	0	53	-1.0	-40.87	415.71	10.76	-30.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020260682	1	53	-1.0	-40.88	415.77	10.78	-30.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020260683	0	50	-1.0	-45.09	392.51	9.88	-35.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020260683	1	50	-1.0	-45.09	392.45	9.86	-35.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(=C)C)CC1=CC=CC=C1	REAL300020260684	0	50	-1.0	-40.73	392.10	8.56	-32.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(=C)C)CC1=CC=CC=C1	REAL300020260684	1	50	-1.0	-40.77	392.16	8.58	-32.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(=C)C)CC1=CC=CC=C1	REAL300020260685	0	47	-1.0	-42.73	374.05	8.33	-34.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(=C)C)CC1=CC=CC=C1	REAL300020260685	1	47	-1.0	-42.73	374.00	8.32	-34.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020260686	0	53	-1.0	-43.02	418.33	7.24	-35.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020260686	1	53	-1.0	-42.95	418.39	7.26	-35.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020260687	0	50	-1.0	-46.30	395.81	6.62	-39.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020260687	1	50	-1.0	-46.25	395.76	6.59	-39.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1C	REAL300020260688	0	55	-1.0	-44.61	426.85	8.19	-36.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1C	REAL300020260688	1	55	-1.0	-44.64	426.88	8.21	-36.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020260689	0	53	-1.0	-40.43	421.54	8.11	-32.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020260689	1	53	-1.0	-40.45	421.60	8.13	-32.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020260690	0	50	-1.0	-41.34	383.14	7.49	-33.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020260690	1	50	-1.0	-41.34	383.19	7.51	-33.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020260691	0	53	-1.0	-39.34	432.72	10.74	-28.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020260691	1	53	-1.0	-39.35	432.77	10.75	-28.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020260692	0	50	-1.0	-42.47	411.27	9.97	-32.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020260692	1	50	-1.0	-42.51	411.21	9.94	-32.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C	REAL300020260693	0	43	-1.0	-39.63	351.15	7.32	-32.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C	REAL300020260693	1	43	-1.0	-39.65	351.21	7.34	-32.31
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020260694	0	47	-1.0	-42.09	379.73	9.29	-32.80
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020260694	1	47	-1.0	-42.03	379.77	9.28	-32.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)C1CC(OCC)C1(C)C	REAL300020260695	0	59	-1.0	-40.33	453.48	9.08	-31.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)C1CC(OCC)C1(C)C	REAL300020260695	1	59	-1.0	-40.26	453.53	9.09	-31.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)C1CC(OCC)C1(C)C	REAL300020260696	0	56	-1.0	-41.69	423.02	7.21	-34.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)C1CC(OCC)C1(C)C	REAL300020260696	1	56	-1.0	-41.72	423.08	7.23	-34.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020260697	0	47	-1.0	-38.94	392.67	9.50	-29.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020260697	1	47	-1.0	-38.86	392.73	9.51	-29.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020260698	0	44	-1.0	-42.20	372.87	8.76	-33.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020260698	1	44	-1.0	-42.17	372.82	8.74	-33.43
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020260699	0	51	-1.0	-41.25	419.21	11.87	-29.38
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020260699	1	51	-1.0	-41.24	419.24	11.86	-29.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=C(C)N=C(CC)S1	REAL300020260700	0	51	-1.0	-40.75	419.01	7.85	-32.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=C(C)N=C(CC)S1	REAL300020260700	1	51	-1.0	-40.78	419.08	7.87	-32.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=C(C)N=C(CC)S1	REAL300020260701	0	48	-1.0	-42.68	409.19	6.76	-35.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=C(C)N=C(CC)S1	REAL300020260701	1	48	-1.0	-42.69	409.12	6.74	-35.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020260702	0	53	-1.0	-41.17	405.68	9.60	-31.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020260702	1	53	-1.0	-41.15	405.74	9.61	-31.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020260703	0	50	-1.0	-42.89	388.67	10.78	-32.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020260703	1	50	-1.0	-42.88	388.62	10.77	-32.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020260704	0	56	-1.0	-40.80	434.03	6.04	-34.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020260704	1	57	0.0	-62.78	430.38	8.28	-54.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020260704	1	56	-1.0	-40.83	434.08	6.06	-34.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020260705	0	53	-1.0	-41.46	412.33	5.45	-36.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020260705	1	54	0.0	-66.28	410.64	7.51	-58.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020260705	1	53	-1.0	-41.47	412.38	5.48	-35.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020260706	0	54	-1.0	-40.96	431.77	7.51	-33.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020260706	1	54	-1.0	-40.94	431.83	7.53	-33.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020260707	0	51	-1.0	-42.72	408.05	6.84	-35.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020260707	1	51	-1.0	-42.70	408.09	6.87	-35.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020260708	0	41	-1.0	-39.51	348.22	7.64	-31.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020260708	1	41	-1.0	-39.52	348.27	7.65	-31.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020260709	0	38	-1.0	-42.21	326.76	6.88	-35.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020260709	1	38	-1.0	-42.15	326.71	6.85	-35.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020260710	0	44	-1.0	-43.08	361.60	4.26	-38.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020260710	1	44	-1.0	-43.07	361.66	4.28	-38.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020260711	0	41	-1.0	-43.93	342.21	3.60	-40.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020260711	1	41	-1.0	-43.93	342.16	3.57	-40.36
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020260712	0	48	-1.0	-45.74	392.33	6.34	-39.40
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020260712	1	48	-1.0	-45.69	392.36	6.33	-39.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(O)C1=CC=C(C)C=C1	REAL300020260713	0	53	-1.0	-41.11	435.29	7.18	-33.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(O)C1=CC=C(C)C=C1	REAL300020260713	1	53	-1.0	-41.07	435.34	7.20	-33.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(O)C1=CC=C(C)C=C1	REAL300020260714	0	50	-1.0	-44.73	414.65	6.54	-38.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(O)C1=CC=C(C)C=C1	REAL300020260714	1	50	-1.0	-44.73	414.59	6.52	-38.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(O)C(F)(F)F)CC1	REAL300020260715	0	47	-1.0	-42.19	370.50	5.18	-37.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(O)C(F)(F)F)CC1	REAL300020260715	1	47	-1.0	-42.19	370.56	5.19	-37.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020260716	0	57	0.0	-68.56	424.30	7.74	-60.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020260716	1	57	0.0	-67.65	434.20	6.99	-60.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020260716	1	57	0.0	-68.56	424.35	7.75	-60.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020260716	1	57	0.0	-67.66	434.26	7.00	-60.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020260717	0	54	0.0	-69.22	400.04	6.98	-62.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020260717	1	54	0.0	-70.85	408.94	6.22	-64.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020260717	1	54	0.0	-69.24	400.09	7.00	-62.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020260717	1	54	0.0	-70.90	409.00	6.24	-64.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020260718	0	48	-1.0	-39.31	393.01	9.94	-29.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020260718	1	48	-1.0	-39.35	393.06	9.96	-29.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020260719	0	45	-1.0	-42.74	373.39	9.24	-33.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020260719	1	45	-1.0	-42.78	373.33	9.21	-33.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020260720	0	47	-1.0	-40.09	369.80	8.04	-32.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020260720	1	47	-1.0	-40.07	369.85	8.06	-32.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020260721	0	44	-1.0	-42.25	357.41	7.73	-34.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020260721	1	44	-1.0	-42.24	357.37	7.71	-34.53
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020260722	0	51	-1.0	-42.09	405.40	10.76	-31.33
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020260722	1	51	-1.0	-42.08	405.42	10.74	-31.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020260723	0	47	-1.0	-42.01	398.85	9.17	-32.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020260723	1	47	-1.0	-41.98	398.91	9.19	-32.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020260724	0	44	-1.0	-45.14	375.75	8.40	-36.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020260724	1	44	-1.0	-45.16	375.69	8.38	-36.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(OCC)C=C2)CC1	REAL300020260725	0	52	-1.0	-44.04	421.10	9.75	-34.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(OCC)C=C2)CC1	REAL300020260725	1	52	-1.0	-43.99	421.16	9.78	-34.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020260726	0	56	-1.0	-39.37	442.60	11.30	-28.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020260726	1	56	-1.0	-39.37	442.66	11.31	-28.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020260727	0	53	-1.0	-45.91	402.90	9.05	-36.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020260727	1	53	-1.0	-45.91	402.85	9.03	-36.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C2=CC=CC=C2)C1	REAL300020260728	0	47	-1.0	-53.02	372.60	8.75	-44.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C2=CC=CC=C2)C1	REAL300020260728	1	47	-1.0	-53.02	372.55	8.72	-44.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020260729	0	38	-1.0	-42.05	347.25	7.47	-34.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020260729	1	38	-1.0	-42.06	347.19	7.45	-34.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020260730	0	38	-1.0	-42.09	342.09	7.83	-34.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020260730	1	38	-1.0	-42.10	342.04	7.80	-34.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020260731	0	50	-1.0	-40.29	415.15	10.84	-29.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020260731	1	50	-1.0	-40.30	415.20	10.86	-29.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020260732	0	47	-1.0	-43.12	391.55	10.20	-32.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020260732	1	47	-1.0	-43.17	391.50	10.19	-32.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CCC1=CC=CS1	REAL300020260733	0	49	-1.0	-41.80	407.16	8.81	-32.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CCC1=CC=CS1	REAL300020260733	1	49	-1.0	-41.78	407.22	8.82	-32.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CCC1=CC=CS1	REAL300020260734	0	46	-1.0	-44.63	387.18	8.38	-36.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CCC1=CC=CS1	REAL300020260734	1	46	-1.0	-44.61	387.11	8.35	-36.26
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020260735	0	44	-1.0	-39.43	370.07	5.78	-33.65
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020260735	1	44	-1.0	-39.42	370.12	5.79	-33.63
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020260736	0	41	-1.0	-42.47	345.79	4.89	-37.58
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020260736	1	41	-1.0	-42.44	345.73	4.86	-37.58
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020260737	0	48	-1.0	-42.35	400.16	7.43	-34.92
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020260737	1	48	-1.0	-42.37	400.21	7.42	-34.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CCC)CC1	REAL300020260738	0	55	-1.0	-39.73	418.46	8.96	-30.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CCC)CC1	REAL300020260738	1	55	-1.0	-39.73	418.52	8.97	-30.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CCC)CC1	REAL300020260739	0	52	-1.0	-42.90	397.34	8.20	-34.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CCC)CC1	REAL300020260739	1	52	-1.0	-42.93	397.40	8.22	-34.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020260740	0	48	-1.0	-41.03	370.20	7.60	-33.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020260740	1	48	-1.0	-40.99	370.25	7.62	-33.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020260741	0	45	-1.0	-45.16	358.49	7.80	-37.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020260741	1	45	-1.0	-45.16	358.43	7.78	-37.38
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(C)CC	REAL300020260742	0	52	-1.0	-42.80	407.83	10.47	-32.33
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(C)CC	REAL300020260742	1	52	-1.0	-42.76	407.87	10.46	-32.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC(C)C	REAL300020260743	0	52	-1.0	-40.93	397.65	8.83	-32.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC(C)C	REAL300020260743	1	52	-1.0	-40.90	397.71	8.85	-32.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC(C)C	REAL300020260744	0	49	-1.0	-46.41	379.22	7.77	-38.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC(C)C	REAL300020260744	1	49	-1.0	-46.42	379.16	7.75	-38.67
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CCC(C)C	REAL300020260745	0	56	-1.0	-42.49	431.91	10.34	-32.15
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CCC(C)C	REAL300020260745	1	56	-1.0	-42.44	431.94	10.32	-32.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)C1=CC=CC=C1	REAL300020260746	0	55	-1.0	-41.94	437.53	11.43	-30.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)C1=CC=CC=C1	REAL300020260746	1	55	-1.0	-41.91	437.59	11.44	-30.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)C1=CC=CC=C1	REAL300020260747	0	52	-1.0	-48.05	415.71	10.41	-37.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)C1=CC=CC=C1	REAL300020260747	1	52	-1.0	-48.09	415.65	10.39	-37.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020260748	0	50	-1.0	-41.56	398.52	7.62	-33.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020260748	1	50	-1.0	-41.54	398.58	7.63	-33.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020260749	0	47	-1.0	-43.50	374.44	7.04	-36.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020260749	1	47	-1.0	-43.52	374.39	7.03	-36.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)C(Cl)=C1	REAL300020260750	0	43	-1.0	-43.92	385.16	8.58	-35.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)C(Cl)=C1	REAL300020260750	1	43	-1.0	-43.92	385.22	8.60	-35.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=C(OC)C=C2)CC1	REAL300020260751	0	53	-1.0	-42.44	416.78	6.66	-35.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=C(OC)C=C2)CC1	REAL300020260751	1	53	-1.0	-42.44	416.83	6.69	-35.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020260752	0	52	-1.0	-40.73	403.33	8.73	-32.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020260752	1	52	-1.0	-40.75	403.39	8.75	-32.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020260753	0	49	-1.0	-44.29	385.40	8.14	-36.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020260753	1	49	-1.0	-44.24	385.35	8.12	-36.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)NCCOC)CCC1C	REAL300020260754	0	54	-1.0	-49.59	425.62	4.40	-45.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)NCCOC)CCC1C	REAL300020260754	1	54	-1.0	-49.60	425.66	4.43	-45.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)NCCCC)CCC1C	REAL300020260755	0	56	-1.0	-49.84	435.01	6.85	-42.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)NCCCC)CCC1C	REAL300020260755	1	56	-1.0	-49.80	435.06	6.88	-42.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020260756	0	48	-1.0	-42.11	404.62	5.45	-36.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020260756	1	48	-1.0	-42.08	404.68	5.47	-36.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020260757	0	45	-1.0	-43.54	379.25	4.77	-38.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020260757	1	45	-1.0	-43.53	379.20	4.75	-38.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CCCO1	REAL300020260758	0	47	-1.0	-42.42	367.60	5.61	-36.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CCCO1	REAL300020260758	1	47	-1.0	-42.42	367.66	5.63	-36.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CCCO1	REAL300020260759	0	44	-1.0	-44.71	345.52	5.02	-39.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CCCO1	REAL300020260759	1	44	-1.0	-44.66	345.46	5.01	-39.65
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CCCO1	REAL300020260760	0	51	-1.0	-43.08	399.08	7.77	-35.31
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CCCO1	REAL300020260760	1	51	-1.0	-43.04	399.11	7.75	-35.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020260761	0	41	-1.0	-42.60	323.75	6.08	-36.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020260761	1	41	-1.0	-42.57	323.81	6.10	-36.47
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020260762	0	45	-1.0	-43.83	352.77	8.07	-35.76
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020260762	1	45	-1.0	-43.79	352.80	8.06	-35.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020260763	0	47	-1.0	-41.65	373.83	9.53	-32.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020260763	1	47	-1.0	-41.66	373.89	9.55	-32.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020260764	0	44	-1.0	-42.72	349.78	8.95	-33.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020260764	1	44	-1.0	-42.74	349.73	8.94	-33.80
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020260765	0	51	-1.0	-42.95	413.14	11.42	-31.53
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020260765	1	51	-1.0	-42.88	413.22	11.41	-31.47
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020260766	0	47	-1.0	-41.05	396.71	8.89	-32.16
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020260766	1	47	-1.0	-41.02	396.77	8.90	-32.12
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020260767	0	44	-1.0	-49.22	373.97	8.40	-40.82
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020260767	1	44	-1.0	-49.21	373.90	8.37	-40.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1CCCCC1	REAL300020260768	0	55	-1.0	-39.98	426.08	10.45	-29.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1CCCCC1	REAL300020260768	1	55	-1.0	-39.97	426.14	10.46	-29.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1CCCCC1	REAL300020260769	0	52	-1.0	-44.22	397.85	9.02	-35.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1CCCCC1	REAL300020260769	1	52	-1.0	-44.23	397.79	9.00	-35.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020260770	0	54	-1.0	-43.20	429.03	8.41	-34.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020260770	1	54	-1.0	-43.13	429.08	8.42	-34.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020260771	0	51	-1.0	-42.69	415.14	8.27	-34.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020260771	1	51	-1.0	-42.65	415.10	8.27	-34.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020260772	0	51	-1.0	-42.60	420.63	7.55	-35.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020260772	1	51	-1.0	-42.59	420.69	7.57	-35.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020260773	0	48	-1.0	-46.39	401.93	6.79	-39.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020260773	1	48	-1.0	-46.42	401.87	6.76	-39.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020260774	0	51	-1.0	-42.29	416.59	10.29	-32.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020260774	1	51	-1.0	-42.30	416.64	10.31	-31.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020260775	0	48	-1.0	-44.47	391.23	9.64	-34.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020260775	1	48	-1.0	-44.48	391.18	9.61	-34.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020260776	0	50	-1.0	-40.34	411.04	10.25	-30.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020260776	1	50	-1.0	-40.38	411.10	10.26	-30.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020260777	0	47	-1.0	-40.68	368.64	9.06	-31.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020260777	1	47	-1.0	-40.64	368.69	9.08	-31.56
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020260778	0	46	-1.0	-42.50	385.44	6.47	-36.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020260778	1	46	-1.0	-42.53	385.38	6.45	-36.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020260779	0	43	-1.0	-45.58	366.00	5.93	-39.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020260779	1	43	-1.0	-45.58	365.95	5.91	-39.67
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020260780	0	50	-1.0	-44.10	408.57	7.98	-36.12
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020260780	1	50	-1.0	-44.10	408.54	7.98	-36.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020260781	0	58	0.0	-63.36	438.49	7.19	-56.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020260781	1	58	0.0	-63.41	438.55	7.21	-56.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020260782	0	55	0.0	-64.64	417.23	6.29	-58.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020260782	1	55	0.0	-64.64	417.28	6.32	-58.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020260783	0	41	-1.0	-41.28	343.44	7.99	-33.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020260783	1	41	-1.0	-41.31	343.50	8.00	-33.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020260784	0	38	-1.0	-43.21	317.01	7.32	-35.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020260784	1	38	-1.0	-43.19	316.96	7.31	-35.88
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020260785	0	45	-1.0	-41.86	370.01	9.89	-31.97
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020260785	1	45	-1.0	-41.80	370.00	9.88	-31.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020260786	0	44	-1.0	-38.49	373.16	8.48	-30.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020260786	1	44	-1.0	-38.46	373.22	8.49	-29.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020260787	0	41	-1.0	-42.41	353.21	7.75	-34.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020260787	1	41	-1.0	-42.44	353.16	7.72	-34.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020260788	0	44	-1.0	-42.28	373.31	8.46	-33.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020260788	1	44	-1.0	-42.24	373.37	8.48	-33.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020260789	0	41	-1.0	-44.94	347.11	8.55	-36.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020260789	1	41	-1.0	-44.91	347.05	8.53	-36.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC2CCCC2)CC1	REAL300020260790	0	57	-1.0	-47.98	435.16	9.65	-38.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC2CCCC2)CC1	REAL300020260790	1	57	-1.0	-47.97	435.22	9.68	-38.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020260791	0	47	-1.0	-44.08	389.11	6.09	-37.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020260791	1	47	-1.0	-44.09	389.17	6.11	-37.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020260792	0	44	-1.0	-43.99	369.92	4.79	-39.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020260792	1	44	-1.0	-43.99	369.87	4.76	-39.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC)CC1	REAL300020260793	0	53	-1.0	-38.48	415.49	8.09	-30.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC)CC1	REAL300020260793	1	53	-1.0	-38.49	415.54	8.11	-30.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC)CC1	REAL300020260794	0	50	-1.0	-42.89	392.52	7.42	-35.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC)CC1	REAL300020260794	1	50	-1.0	-42.88	392.58	7.43	-35.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020260795	0	47	-1.0	-45.09	407.12	2.91	-42.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020260795	1	47	-1.0	-45.08	407.18	2.92	-42.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020260796	0	44	-1.0	-48.86	378.00	1.94	-46.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020260796	1	44	-1.0	-48.85	378.06	1.96	-46.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCC)CCOC	REAL300020260797	0	49	-1.0	-43.20	386.20	6.03	-37.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCC)CCOC	REAL300020260797	1	49	-1.0	-43.17	386.26	6.04	-37.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCC)CCOC	REAL300020260798	0	46	-1.0	-45.20	368.07	5.37	-39.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCC)CCOC	REAL300020260798	1	46	-1.0	-45.21	368.01	5.34	-39.87
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCC)CCOC	REAL300020260799	0	53	-1.0	-43.85	418.02	8.00	-35.85
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCC)CCOC	REAL300020260799	1	53	-1.0	-43.84	418.04	7.99	-35.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020260800	0	56	0.0	-69.60	433.09	10.47	-59.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020260800	1	56	0.0	-68.60	433.85	10.74	-57.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020260800	1	55	-1.0	-42.71	421.96	6.80	-35.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020260800	1	55	-1.0	-42.67	422.01	6.82	-35.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020260801	0	53	0.0	-66.88	418.19	9.23	-57.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020260801	1	53	0.0	-67.50	412.37	9.97	-57.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020260801	1	52	-1.0	-43.66	418.30	6.84	-36.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020260801	1	52	-1.0	-43.67	418.36	6.87	-36.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020260802	0	46	-1.0	-43.61	394.67	9.65	-33.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020260802	1	46	-1.0	-43.57	394.72	9.66	-33.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020260803	0	43	-1.0	-48.25	363.16	7.75	-40.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020260803	1	43	-1.0	-48.22	363.10	7.72	-40.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020260804	0	44	-1.0	-41.88	361.88	4.74	-37.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020260804	1	44	-1.0	-41.89	361.94	4.76	-37.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020260805	0	41	-1.0	-41.61	337.97	4.12	-37.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020260805	1	41	-1.0	-41.62	337.92	4.10	-37.52
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020260806	0	48	-1.0	-46.96	385.71	7.25	-39.71
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020260806	1	48	-1.0	-46.99	385.75	7.25	-39.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCOCC1	REAL300020260807	0	54	-1.0	-42.69	429.95	9.36	-33.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCOCC1	REAL300020260807	1	54	-1.0	-42.69	429.90	9.33	-33.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C2OCOC2=C1	REAL300020260808	0	50	-1.0	-47.09	408.42	5.71	-41.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C2OCOC2=C1	REAL300020260808	1	50	-1.0	-47.08	408.36	5.69	-41.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC	REAL300020260809	0	43	-1.0	-40.56	337.09	6.79	-33.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC	REAL300020260809	1	43	-1.0	-40.58	337.15	6.80	-33.78
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CC	REAL300020260810	0	47	-1.0	-42.97	365.89	8.74	-34.23
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CC	REAL300020260810	1	47	-1.0	-42.94	365.95	8.73	-34.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(SCC)C1	REAL300020260811	0	50	-1.0	-40.03	404.64	9.31	-30.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(SCC)C1	REAL300020260811	1	50	-1.0	-40.08	404.69	9.33	-30.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(SCC)C1	REAL300020260812	0	47	-1.0	-41.89	383.16	8.56	-33.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(SCC)C1	REAL300020260812	1	47	-1.0	-41.88	383.10	8.54	-33.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020260813	0	56	0.0	-71.20	439.91	9.87	-61.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020260813	1	56	0.0	-68.54	431.68	10.65	-57.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020260813	1	55	-1.0	-42.06	441.21	7.70	-34.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020260813	1	55	-1.0	-42.05	441.27	7.72	-34.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020260814	0	53	0.0	-66.89	418.03	9.22	-57.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020260814	1	53	0.0	-67.79	412.54	9.99	-57.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020260814	1	52	-1.0	-45.49	400.46	6.01	-39.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020260814	1	52	-1.0	-45.52	400.51	6.03	-39.49
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020260815	0	53	-1.0	-38.44	421.79	10.22	-28.22
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020260815	1	53	-1.0	-38.46	421.84	10.23	-28.23
C=CCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020260816	0	50	-1.0	-42.95	393.80	9.03	-33.92
C=CCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020260816	1	50	-1.0	-42.93	393.74	9.01	-33.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020260817	0	43	-1.0	-41.24	345.72	6.82	-34.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020260817	1	43	-1.0	-41.19	345.78	6.83	-34.36
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020260818	0	47	-1.0	-42.44	377.74	8.96	-33.48
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020260818	1	47	-1.0	-42.36	377.80	8.95	-33.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020260819	0	47	-1.0	-41.36	387.53	4.75	-36.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020260819	1	47	-1.0	-41.38	387.59	4.76	-36.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020260820	0	44	-1.0	-46.69	366.13	4.22	-42.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020260820	1	44	-1.0	-46.69	366.08	4.20	-42.49
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020260821	0	51	-1.0	-44.40	421.60	6.89	-37.51
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020260821	1	51	-1.0	-44.32	421.66	6.88	-37.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020260822	0	44	-1.0	-40.15	372.81	9.04	-31.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020260822	1	44	-1.0	-40.16	372.86	9.06	-31.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020260823	0	41	-1.0	-45.57	341.31	7.14	-38.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020260823	1	41	-1.0	-45.57	341.25	7.13	-38.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020260824	0	50	-1.0	-41.44	417.91	10.08	-31.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020260824	1	50	-1.0	-41.41	417.96	10.09	-31.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020260825	0	47	-1.0	-44.43	399.34	9.37	-35.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020260825	1	47	-1.0	-44.49	399.28	9.35	-35.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020260826	0	45	-1.0	-48.69	371.62	4.12	-44.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020260826	1	45	-1.0	-48.72	371.67	4.13	-44.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020260827	0	42	-1.0	-53.25	342.75	3.38	-49.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020260827	1	42	-1.0	-53.20	342.70	3.37	-49.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020260828	0	47	-1.0	-39.24	379.68	9.28	-29.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020260828	1	47	-1.0	-39.21	379.74	9.29	-29.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020260829	0	44	-1.0	-42.12	343.06	8.43	-33.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020260829	1	44	-1.0	-42.09	343.02	8.42	-33.67
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020260830	0	51	-1.0	-42.91	397.34	11.09	-31.82
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020260830	1	51	-1.0	-42.90	397.38	11.08	-31.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020260831	0	50	-1.0	-43.13	402.36	5.71	-37.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020260831	1	50	-1.0	-43.11	402.42	5.73	-37.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020260832	0	47	-1.0	-45.98	381.89	5.37	-40.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020260832	1	47	-1.0	-45.98	381.83	5.35	-40.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020260833	0	41	-1.0	-39.87	347.24	6.09	-33.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020260833	1	41	-1.0	-39.92	347.30	6.11	-33.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020260834	0	38	-1.0	-43.00	322.80	5.31	-37.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020260834	1	38	-1.0	-43.01	322.75	5.28	-37.73
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1C	REAL300020260835	0	45	-1.0	-40.75	369.13	7.99	-32.76
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1C	REAL300020260835	1	45	-1.0	-40.73	369.02	7.94	-32.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020260836	0	48	-1.0	-42.31	392.29	7.26	-35.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020260836	1	48	-1.0	-42.31	392.34	7.27	-35.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020260837	0	45	-1.0	-46.18	361.55	4.78	-41.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020260837	1	45	-1.0	-46.21	361.49	4.76	-41.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020260838	0	48	-1.0	-40.98	397.75	6.85	-34.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020260838	1	48	-1.0	-40.96	397.69	6.84	-34.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020260839	0	45	-1.0	-45.04	375.91	5.59	-39.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020260839	1	45	-1.0	-45.06	375.85	5.57	-39.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020260840	0	47	-1.0	-39.87	372.32	8.02	-31.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020260840	1	47	-1.0	-39.86	372.38	8.04	-31.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020260841	0	44	-1.0	-41.85	346.83	7.31	-34.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020260841	1	44	-1.0	-41.80	346.79	7.28	-34.52
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C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC2=CC=C(F)C=C2)CC1	REAL300020260892	1	52	-1.0	-44.03	416.08	7.53	-36.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC2=CC=C(F)C=C2)CC1	REAL300020260892	1	52	-1.0	-44.01	416.13	7.55	-36.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020260893	0	47	-1.0	-41.34	378.65	9.98	-31.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020260893	1	47	-1.0	-41.33	378.71	9.99	-31.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020260894	0	44	-1.0	-44.88	353.72	8.63	-36.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020260894	1	44	-1.0	-44.83	353.66	8.60	-36.23
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020260895	0	51	-1.0	-44.26	412.45	11.87	-32.39
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020260895	1	51	-1.0	-44.24	412.51	11.86	-32.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020260896	0	51	-1.0	-44.15	410.89	9.35	-34.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020260896	1	51	-1.0	-44.14	410.95	9.37	-34.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020260897	0	48	-1.0	-50.40	391.36	8.68	-41.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020260897	1	48	-1.0	-50.40	391.30	8.66	-41.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020260898	0	41	-1.0	-38.64	355.52	8.11	-30.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020260898	1	41	-1.0	-38.67	355.58	8.12	-30.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020260899	0	38	-1.0	-44.77	325.57	6.30	-38.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020260899	1	38	-1.0	-44.78	325.52	6.27	-38.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020260900	0	45	-1.0	-43.04	374.04	9.34	-33.70
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020260900	1	45	-1.0	-42.98	374.09	9.33	-33.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C(OC)=C1	REAL300020260901	0	52	-1.0	-50.37	416.31	8.37	-42.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C(OC)=C1	REAL300020260901	1	52	-1.0	-50.38	416.25	8.34	-42.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020260902	0	46	-1.0	-39.80	395.21	8.68	-31.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020260902	1	46	-1.0	-39.77	395.27	8.69	-31.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020260903	0	43	-1.0	-43.38	361.90	8.44	-34.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020260903	1	43	-1.0	-43.42	361.85	8.42	-35.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020260904	0	50	-1.0	-40.44	396.85	9.00	-31.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020260904	1	50	-1.0	-40.43	396.90	9.02	-31.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020260905	0	47	-1.0	-42.56	379.95	8.26	-34.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020260905	1	47	-1.0	-42.51	379.89	8.24	-34.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020260906	0	48	-1.0	-49.71	397.78	4.19	-45.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020260906	1	48	-1.0	-49.75	397.84	4.20	-45.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020260907	0	45	-1.0	-45.80	372.01	3.34	-42.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020260907	1	45	-1.0	-45.79	372.07	3.36	-42.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020260908	0	58	-1.0	-42.15	434.04	6.98	-35.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020260908	1	58	-1.0	-42.12	434.09	7.00	-35.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020260908	1	59	0.0	-65.07	437.39	7.44	-57.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020260909	0	55	-1.0	-42.74	419.99	6.24	-36.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020260909	1	55	-1.0	-42.75	420.05	6.27	-36.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020260909	1	56	0.0	-67.48	412.66	7.91	-59.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020260910	0	44	-1.0	-39.34	362.05	7.91	-31.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020260910	1	44	-1.0	-39.36	362.11	7.93	-31.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020260911	0	41	-1.0	-42.88	329.94	7.52	-35.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020260911	1	41	-1.0	-42.86	329.89	7.50	-35.36
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020260912	0	48	-1.0	-42.58	387.11	10.12	-32.46
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020260912	1	48	-1.0	-42.49	387.15	10.11	-32.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020260913	0	48	-1.0	-41.37	379.23	6.49	-34.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020260913	1	48	-1.0	-41.38	379.29	6.51	-34.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020260914	0	45	-1.0	-43.78	352.71	5.85	-37.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020260914	1	45	-1.0	-43.75	352.67	5.83	-37.92
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020260915	0	52	-1.0	-44.00	407.16	8.60	-35.40
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020260915	1	52	-1.0	-43.98	407.21	8.59	-35.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020260916	0	53	-1.0	-41.27	434.83	7.50	-33.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020260916	1	53	-1.0	-41.27	434.89	7.52	-33.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020260917	0	50	-1.0	-43.58	411.10	6.83	-36.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020260917	1	50	-1.0	-43.56	411.15	6.85	-36.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN(CC)CC(F)(F)F)C1	REAL300020260918	0	51	-1.0	-44.53	398.10	6.18	-38.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN(CC)CC(F)(F)F)C1	REAL300020260918	1	51	-1.0	-44.55	398.15	6.21	-38.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CC)C1	REAL300020260919	0	46	-1.0	-41.57	355.47	7.53	-34.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CC)C1	REAL300020260919	1	46	-1.0	-41.56	355.53	7.55	-34.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CC)C1	REAL300020260920	0	43	-1.0	-42.25	338.19	6.95	-35.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CC)C1	REAL300020260920	1	43	-1.0	-42.22	338.14	6.92	-35.30
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(CC)C1	REAL300020260921	0	50	-1.0	-42.93	384.03	9.51	-33.42
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(CC)C1	REAL300020260921	1	50	-1.0	-42.97	384.05	9.50	-33.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020260922	0	56	-1.0	-43.09	436.87	11.32	-31.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020260922	1	56	-1.0	-43.09	436.93	11.33	-31.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020260923	0	53	-1.0	-43.49	419.54	10.71	-32.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020260923	1	53	-1.0	-43.50	419.60	10.74	-32.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020260924	0	51	-1.0	-41.30	392.17	7.02	-34.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020260924	1	51	-1.0	-41.30	392.23	7.04	-34.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020260925	0	48	-1.0	-43.74	380.43	6.61	-37.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020260925	1	48	-1.0	-43.73	380.49	6.63	-37.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=C(OC)C=C1	REAL300020260926	0	56	-1.0	-41.19	452.69	10.27	-30.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=C(OC)C=C1	REAL300020260926	1	56	-1.0	-41.20	452.74	10.29	-30.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=C(OC)C=C1	REAL300020260927	0	53	-1.0	-49.33	431.49	8.69	-40.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=C(OC)C=C1	REAL300020260927	1	53	-1.0	-49.36	431.55	8.71	-40.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020260928	0	43	-1.0	-39.59	386.96	8.87	-30.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020260928	1	43	-1.0	-39.60	387.02	8.89	-30.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020260929	0	40	-1.0	-41.77	365.69	8.18	-33.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020260929	1	40	-1.0	-41.74	365.64	8.16	-33.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020260930	0	49	-1.0	-39.84	414.72	8.16	-31.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020260930	1	49	-1.0	-39.88	414.78	8.17	-31.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020260931	0	46	-1.0	-41.86	390.99	7.48	-34.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020260931	1	46	-1.0	-41.85	391.03	7.51	-34.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020260932	0	45	-1.0	-39.36	394.01	7.26	-32.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020260932	1	45	-1.0	-39.38	394.07	7.28	-32.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020260933	0	42	-1.0	-40.58	368.44	6.59	-33.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020260933	1	42	-1.0	-40.55	368.39	6.57	-33.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020260934	0	47	-1.0	-43.07	381.00	4.24	-38.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020260934	1	47	-1.0	-43.09	381.06	4.26	-38.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020260935	0	44	-1.0	-45.98	361.88	3.32	-42.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020260935	1	44	-1.0	-45.97	361.82	3.30	-42.67
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020260936	0	51	-1.0	-45.05	412.10	6.10	-38.95
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020260936	1	51	-1.0	-44.97	412.16	6.09	-38.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C(C)C)CC2)CC1	REAL300020260937	0	62	0.0	-62.08	447.58	10.33	-51.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C(C)C)CC2)CC1	REAL300020260937	1	62	0.0	-62.12	447.64	10.36	-51.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020260938	0	50	-1.0	-42.38	419.64	6.92	-35.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020260938	1	50	-1.0	-42.42	419.58	6.91	-35.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020260939	0	47	-1.0	-44.44	395.90	6.26	-38.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020260939	1	47	-1.0	-44.38	395.85	6.23	-38.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020260940	0	50	-1.0	-46.43	419.31	7.11	-39.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020260940	1	50	-1.0	-46.41	419.26	7.09	-39.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020260941	0	47	-1.0	-48.51	395.17	6.43	-42.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020260941	1	47	-1.0	-48.48	395.12	6.42	-42.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020260942	0	50	-1.0	-39.83	417.76	7.52	-32.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020260942	1	50	-1.0	-39.85	417.81	7.53	-32.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020260943	0	47	-1.0	-41.65	396.18	6.75	-34.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020260943	1	47	-1.0	-41.63	396.13	6.73	-34.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020260944	0	53	-1.0	-46.42	421.14	7.51	-38.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020260944	1	53	-1.0	-46.46	421.19	7.53	-38.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020260945	0	50	-1.0	-47.58	397.04	7.05	-40.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020260945	1	50	-1.0	-47.53	397.08	7.07	-40.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020260946	0	43	-1.0	-39.88	383.37	8.50	-31.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020260946	1	43	-1.0	-39.88	383.42	8.51	-31.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020260947	0	40	-1.0	-41.92	360.09	7.96	-33.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020260947	1	40	-1.0	-41.93	360.03	7.93	-34.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(COC)C1	REAL300020260948	0	48	-1.0	-40.16	386.04	5.06	-35.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(COC)C1	REAL300020260948	1	48	-1.0	-40.18	386.09	5.08	-35.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(COC)C1	REAL300020260949	0	45	-1.0	-41.65	369.10	4.69	-36.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(COC)C1	REAL300020260949	1	45	-1.0	-41.68	369.04	4.67	-37.01
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(COC)C1	REAL300020260950	0	52	-1.0	-42.46	415.01	7.03	-35.43
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(COC)C1	REAL300020260950	1	52	-1.0	-42.02	421.34	6.94	-35.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@@H+](CC)CC2CC2)CC1	REAL300020260951	0	62	0.0	-66.92	469.47	11.52	-55.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@H+](CC)CC2CC2)CC1	REAL300020260951	1	62	0.0	-67.01	465.38	11.22	-55.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@@H+](CC)CC2CC2)CC1	REAL300020260951	1	62	0.0	-66.92	469.52	11.54	-55.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@H+](CC)CC2CC2)CC1	REAL300020260951	1	62	0.0	-66.98	465.44	11.25	-55.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020260952	0	44	-1.0	-43.92	375.86	5.56	-38.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020260952	1	44	-1.0	-43.89	375.92	5.58	-38.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020260953	0	41	-1.0	-46.63	354.18	4.80	-41.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020260953	1	41	-1.0	-46.63	354.12	4.77	-41.86
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020260954	0	48	-1.0	-46.34	395.77	7.64	-38.70
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020260954	1	48	-1.0	-46.36	395.80	7.63	-38.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300020260955	0	54	-1.0	-45.12	410.63	11.05	-34.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300020260955	1	54	-1.0	-45.09	410.57	11.03	-34.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCC1=C2SC=C1	REAL300020260956	0	49	-1.0	-43.06	404.28	7.96	-35.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCC1=C2SC=C1	REAL300020260956	1	49	-1.0	-43.04	404.33	7.98	-35.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020260957	0	44	-1.0	-51.94	354.52	3.03	-48.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020260957	1	44	-1.0	-51.98	354.58	3.04	-48.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020260958	0	41	-1.0	-56.44	335.77	2.46	-53.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020260958	1	41	-1.0	-56.42	335.71	2.43	-53.99
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020260959	0	48	-1.0	-52.82	384.86	5.11	-47.71
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020260959	1	48	-1.0	-52.80	384.90	5.09	-47.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020260960	0	46	-1.0	-45.48	372.07	6.97	-38.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020260960	1	46	-1.0	-45.48	372.12	6.99	-38.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020260961	0	43	-1.0	-44.38	354.79	6.39	-37.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020260961	1	43	-1.0	-44.41	354.73	6.37	-38.04
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020260962	0	50	-1.0	-46.89	400.63	8.95	-37.94
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020260962	1	50	-1.0	-46.82	400.65	8.95	-37.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(COC)CC1	REAL300020260963	0	50	-1.0	-39.64	393.36	6.76	-32.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(COC)CC1	REAL300020260963	1	50	-1.0	-39.62	393.41	6.78	-32.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(COC)CC1	REAL300020260964	0	47	-1.0	-41.89	373.42	6.02	-35.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(COC)CC1	REAL300020260964	1	47	-1.0	-41.86	373.47	6.04	-35.82
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(COC)CC1	REAL300020260965	0	54	-1.0	-42.15	423.64	8.81	-33.34
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(COC)CC1	REAL300020260965	1	54	-1.0	-42.14	423.69	8.80	-33.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020260966	0	48	-1.0	-40.52	389.14	7.55	-32.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020260966	1	48	-1.0	-40.51	389.20	7.57	-32.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020260967	0	45	-1.0	-42.67	361.56	6.94	-35.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020260967	1	45	-1.0	-42.68	361.51	6.92	-35.76
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020260968	0	52	-1.0	-42.70	412.92	9.71	-32.99
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020260968	1	52	-1.0	-42.71	412.95	9.70	-33.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC(C(C)C)=N2)CC1	REAL300020260969	0	53	-1.0	-45.05	430.27	8.27	-36.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC(C(C)C)=N2)CC1	REAL300020260969	1	53	-1.0	-45.01	430.34	8.30	-36.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=NC=CS2)CC1	REAL300020260970	0	48	-1.0	-44.29	403.39	5.01	-39.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=NC=CS2)CC1	REAL300020260970	1	48	-1.0	-44.29	403.45	5.03	-39.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CSC=C2)CC1	REAL300020260971	0	52	-1.0	-40.48	429.13	7.62	-32.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CSC=C2)CC1	REAL300020260971	1	52	-1.0	-40.51	429.19	7.64	-32.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CSC=C2)CC1	REAL300020260971	1	53	0.0	-64.38	428.74	9.68	-54.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CSC=C2)CC1	REAL300020260972	0	49	-1.0	-41.48	407.67	6.84	-34.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CSC=C2)CC1	REAL300020260972	1	49	-1.0	-41.49	407.72	6.86	-34.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CSC=C2)CC1	REAL300020260972	1	50	0.0	-61.08	405.00	9.01	-52.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C(F)(F)F)=CS1	REAL300020260973	0	42	-1.0	-40.58	391.58	6.72	-33.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C(F)(F)F)=CS1	REAL300020260973	1	42	-1.0	-40.58	391.64	6.73	-33.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C(F)(F)F)=CS1	REAL300020260974	0	39	-1.0	-41.54	370.33	5.92	-35.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C(F)(F)F)=CS1	REAL300020260974	1	39	-1.0	-41.57	370.39	5.95	-35.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020260975	0	46	-1.0	-40.11	393.43	9.10	-31.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020260975	1	46	-1.0	-40.11	393.49	9.11	-31.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020260976	0	43	-1.0	-45.01	372.07	8.36	-36.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020260976	1	43	-1.0	-45.02	372.02	8.34	-36.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020260977	0	44	-1.0	-39.60	361.48	6.00	-33.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020260977	1	44	-1.0	-39.62	361.54	6.01	-33.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020260978	0	41	-1.0	-41.79	340.74	5.03	-36.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020260978	1	41	-1.0	-41.78	340.69	5.00	-36.78
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020260979	0	48	-1.0	-41.25	388.06	7.70	-33.55
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020260979	1	48	-1.0	-41.31	388.12	7.69	-33.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020260980	0	49	-1.0	-43.77	405.44	8.23	-35.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020260980	1	49	-1.0	-43.80	405.50	8.25	-35.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020260981	0	46	-1.0	-47.60	380.00	7.54	-40.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020260981	1	46	-1.0	-47.62	380.05	7.56	-40.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020260982	0	47	-1.0	-41.18	373.09	6.81	-34.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020260982	1	47	-1.0	-41.24	373.15	6.83	-34.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020260983	0	44	-1.0	-42.65	356.97	5.86	-36.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020260983	1	44	-1.0	-42.61	356.92	5.84	-36.77
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020260984	0	51	-1.0	-42.92	400.25	8.70	-34.22
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020260984	1	51	-1.0	-42.80	400.29	8.69	-34.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020260985	0	46	-1.0	-40.33	374.72	9.11	-31.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020260985	1	46	-1.0	-40.30	374.77	9.13	-31.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020260986	0	43	-1.0	-42.20	364.51	8.30	-33.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020260986	1	43	-1.0	-42.20	364.45	8.27	-33.93
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020260987	0	50	-1.0	-41.85	409.46	11.10	-30.75
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020260987	1	50	-1.0	-41.79	409.47	11.08	-30.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020260988	0	51	-1.0	-41.23	414.79	9.03	-32.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020260988	1	51	-1.0	-41.26	414.84	9.04	-32.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020260989	0	48	-1.0	-45.31	396.47	8.15	-37.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020260989	1	48	-1.0	-45.29	396.42	8.13	-37.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC)C1	REAL300020260990	0	47	-1.0	-39.67	378.44	6.81	-32.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC)C1	REAL300020260990	1	47	-1.0	-39.67	378.50	6.83	-32.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC)C1	REAL300020260991	0	44	-1.0	-41.38	356.26	6.25	-35.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC)C1	REAL300020260991	1	44	-1.0	-41.38	356.20	6.23	-35.15
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(CC)C1	REAL300020260992	0	51	-1.0	-41.48	402.17	8.61	-32.87
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(CC)C1	REAL300020260992	1	51	-1.0	-41.01	408.49	8.53	-32.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020260993	0	54	-1.0	-41.06	436.76	10.12	-30.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020260993	1	54	-1.0	-41.08	436.82	10.14	-30.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020260994	0	51	-1.0	-42.86	412.94	9.45	-33.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020260994	1	51	-1.0	-42.89	412.98	9.47	-33.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020260995	0	39	-1.0	-40.62	345.10	6.56	-34.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020260995	1	39	-1.0	-40.63	345.16	6.58	-34.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020260996	0	36	-1.0	-42.97	323.41	5.80	-37.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020260996	1	36	-1.0	-42.97	323.35	5.77	-37.20
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(F)(F)F	REAL300020260997	0	43	-1.0	-43.73	373.57	8.54	-35.19
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(F)(F)F	REAL300020260997	1	43	-1.0	-43.71	373.62	8.53	-35.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020260998	0	45	-1.0	-39.91	393.48	7.09	-32.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020260998	1	45	-1.0	-39.91	393.54	7.11	-32.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020260999	0	42	-1.0	-46.24	369.58	6.25	-39.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020260999	1	42	-1.0	-46.22	369.52	6.21	-40.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020261000	0	39	-1.0	-42.86	338.57	5.37	-37.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020261000	1	39	-1.0	-42.82	338.63	5.39	-37.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020261001	0	36	-1.0	-46.22	326.14	4.78	-41.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020261001	1	36	-1.0	-46.24	326.09	4.75	-41.49
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CSC=N1	REAL300020261002	0	43	-1.0	-44.30	371.90	7.46	-36.84
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CSC=N1	REAL300020261002	1	43	-1.0	-44.31	371.91	7.44	-36.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020261003	0	51	-1.0	-42.90	414.07	9.57	-33.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020261003	1	51	-1.0	-42.95	414.12	9.60	-33.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020261004	0	51	-1.0	-47.07	419.90	4.59	-42.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020261004	1	51	-1.0	-47.04	419.95	4.60	-42.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020261005	0	48	-1.0	-48.06	396.07	3.92	-44.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020261005	1	48	-1.0	-48.01	396.12	3.93	-44.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020261006	0	49	-1.0	-39.97	371.98	8.11	-31.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020261006	1	49	-1.0	-39.99	372.04	8.13	-31.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020261007	0	46	-1.0	-43.32	354.31	7.37	-35.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020261007	1	46	-1.0	-43.37	354.26	7.35	-36.02
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020261008	0	53	-1.0	-41.84	396.94	9.86	-31.98
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020261008	1	53	-1.0	-41.86	396.97	9.85	-32.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020261009	0	49	-1.0	-41.65	362.58	7.93	-33.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020261009	1	49	-1.0	-41.59	362.64	7.94	-33.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020261010	0	46	-1.0	-42.95	357.84	7.67	-35.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020261010	1	46	-1.0	-42.92	357.78	7.65	-35.27
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020261011	0	53	-1.0	-43.22	390.98	9.88	-33.34
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020261011	1	53	-1.0	-43.19	391.02	9.87	-33.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020261012	0	49	-1.0	-39.87	387.51	4.86	-35.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020261012	1	49	-1.0	-39.90	387.57	4.88	-35.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020261013	0	46	-1.0	-42.47	369.92	4.50	-37.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020261013	1	46	-1.0	-42.49	369.98	4.53	-37.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020261014	0	52	-1.0	-39.78	405.38	7.35	-32.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020261014	1	52	-1.0	-39.74	405.44	7.36	-32.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020261015	0	49	-1.0	-44.45	379.08	6.52	-37.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020261015	1	49	-1.0	-44.44	379.14	6.54	-37.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020261016	0	55	-1.0	-40.92	440.90	9.75	-31.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020261016	1	55	-1.0	-40.91	440.96	9.77	-31.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020261017	0	52	-1.0	-43.46	419.96	8.98	-34.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020261017	1	52	-1.0	-43.44	420.02	9.01	-34.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)CC1	REAL300020261018	0	49	-1.0	-45.19	414.93	5.93	-39.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)CC1	REAL300020261018	1	49	-1.0	-45.20	414.88	5.90	-39.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020261019	0	49	-1.0	-44.47	418.74	5.86	-38.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020261019	1	49	-1.0	-44.52	418.68	5.85	-38.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020261020	0	46	-1.0	-45.20	395.00	5.20	-40.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020261020	1	46	-1.0	-45.20	394.95	5.18	-40.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020261021	0	49	-1.0	-47.55	418.79	5.85	-41.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020261021	1	49	-1.0	-47.57	418.73	5.83	-41.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020261022	0	48	-1.0	-44.57	398.37	7.81	-36.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020261022	1	48	-1.0	-44.58	398.42	7.82	-36.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020261023	0	45	-1.0	-44.93	378.75	7.51	-37.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020261023	1	45	-1.0	-44.94	378.81	7.54	-37.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020261024	0	56	-1.0	-40.31	399.06	9.51	-30.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020261024	1	56	-1.0	-40.36	399.12	9.53	-30.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020261025	0	53	-1.0	-45.41	375.62	8.71	-36.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020261025	1	53	-1.0	-45.46	375.68	8.74	-36.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020261026	0	50	-1.0	-37.76	394.35	9.09	-28.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020261026	1	50	-1.0	-37.76	394.41	9.11	-28.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020261027	0	47	-1.0	-40.98	374.04	8.43	-32.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020261027	1	47	-1.0	-40.95	373.98	8.41	-32.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020261028	0	49	-1.0	-39.17	390.95	7.46	-31.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020261028	1	49	-1.0	-39.17	391.01	7.47	-31.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020261029	0	46	-1.0	-42.90	371.56	6.75	-36.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020261029	1	46	-1.0	-42.93	371.62	6.78	-36.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=C(F)C(F)=C2)CC1	REAL300020261030	0	48	-1.0	-44.30	406.23	10.29	-34.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=C(F)C(F)=C2)CC1	REAL300020261030	1	48	-1.0	-44.30	406.28	10.32	-33.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020261031	0	44	-1.0	-40.55	360.06	8.23	-32.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020261031	1	44	-1.0	-40.56	360.12	8.25	-32.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020261032	0	41	-1.0	-41.65	338.96	7.26	-34.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020261032	1	41	-1.0	-41.62	338.90	7.23	-34.39
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020261033	0	48	-1.0	-41.19	383.23	10.16	-31.03
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020261033	1	48	-1.0	-41.15	383.21	10.14	-31.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=C(F)C=C2)CC1	REAL300020261034	0	51	-1.0	-45.72	417.24	7.11	-38.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=C(F)C=C2)CC1	REAL300020261034	1	51	-1.0	-45.74	417.30	7.14	-38.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020261035	0	52	-1.0	-39.38	385.52	8.70	-30.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020261035	1	52	-1.0	-39.40	385.58	8.71	-30.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020261036	0	49	-1.0	-40.70	366.83	7.92	-32.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020261036	1	49	-1.0	-40.69	366.78	7.91	-32.78
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020261037	0	56	-1.0	-41.85	415.92	10.74	-31.11
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020261037	1	56	-1.0	-41.86	415.98	10.74	-31.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020261038	0	49	-1.0	-42.98	401.20	6.93	-36.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020261038	1	49	-1.0	-43.01	401.26	6.94	-36.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020261039	0	46	-1.0	-47.95	378.92	5.95	-42.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020261039	1	46	-1.0	-47.93	378.87	5.93	-42.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020261040	0	52	-1.0	-38.74	388.72	8.61	-30.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020261040	1	52	-1.0	-38.70	388.78	8.62	-30.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020261041	0	49	-1.0	-41.28	368.88	7.88	-33.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020261041	1	49	-1.0	-41.30	368.82	7.86	-33.44
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020261042	0	56	-1.0	-40.66	414.09	10.59	-30.07
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020261042	1	56	-1.0	-40.62	414.16	10.58	-30.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)C1	REAL300020261043	0	49	-1.0	-39.96	382.61	8.69	-31.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)C1	REAL300020261043	1	49	-1.0	-39.98	382.67	8.70	-31.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)C1	REAL300020261044	0	46	-1.0	-44.40	357.49	7.66	-36.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)C1	REAL300020261044	1	46	-1.0	-44.40	357.43	7.64	-36.76
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(C)C)C1	REAL300020261045	0	53	-1.0	-41.52	409.12	10.59	-30.93
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(C)C)C1	REAL300020261045	1	53	-1.0	-41.46	409.15	10.59	-30.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)CC1	REAL300020261046	0	51	-1.0	-40.59	414.77	6.13	-34.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)CC1	REAL300020261046	1	51	-1.0	-40.59	414.83	6.14	-34.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)CC1	REAL300020261047	0	48	-1.0	-42.82	390.95	5.46	-37.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)CC1	REAL300020261047	1	48	-1.0	-42.77	391.00	5.47	-37.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC)C1	REAL300020261048	0	44	-1.0	-41.39	353.50	5.53	-35.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC)C1	REAL300020261048	1	44	-1.0	-41.38	353.55	5.54	-35.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)C1	REAL300020261049	0	41	-1.0	-43.88	332.05	4.77	-39.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)C1	REAL300020261049	1	41	-1.0	-43.89	332.00	4.74	-39.15
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COC)C1	REAL300020261050	0	48	-1.0	-42.88	382.14	7.50	-35.38
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COC)C1	REAL300020261050	1	48	-1.0	-42.92	382.16	7.49	-35.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020261051	0	49	-1.0	-41.57	368.94	8.48	-33.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020261051	1	49	-1.0	-41.56	369.00	8.50	-33.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020261052	0	46	-1.0	-44.30	343.07	7.79	-36.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020261052	1	46	-1.0	-44.27	343.01	7.77	-36.50
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020261053	0	53	-1.0	-41.29	401.91	9.99	-31.30
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020261053	1	53	-1.0	-41.23	401.92	9.97	-31.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020261054	0	52	-1.0	-42.96	421.33	8.95	-34.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020261054	1	52	-1.0	-42.94	421.39	8.97	-33.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020261055	0	49	-1.0	-44.30	398.21	8.08	-36.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020261055	1	49	-1.0	-44.32	398.25	8.10	-36.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020261056	0	51	-1.0	-40.98	410.92	8.99	-31.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020261056	1	51	-1.0	-40.94	410.97	9.01	-31.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020261057	0	48	-1.0	-44.09	387.80	8.18	-35.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020261057	1	48	-1.0	-44.09	387.74	8.16	-35.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCOCC1	REAL300020261058	0	53	-1.0	-47.07	425.40	7.19	-39.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCOCC1	REAL300020261058	1	53	-1.0	-47.09	425.34	7.17	-39.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C=C)CC1	REAL300020261059	0	44	-1.0	-38.79	360.29	8.03	-30.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C=C)CC1	REAL300020261059	1	44	-1.0	-38.80	360.34	8.04	-30.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C=C)CC1	REAL300020261060	0	41	-1.0	-40.50	337.20	7.18	-33.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C=C)CC1	REAL300020261060	1	41	-1.0	-40.54	337.16	7.16	-33.38
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C=C)CC1	REAL300020261061	0	48	-1.0	-41.05	381.12	9.85	-31.20
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C=C)CC1	REAL300020261061	1	48	-1.0	-41.04	381.16	9.84	-31.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)CC1	REAL300020261062	0	54	-1.0	-45.59	429.18	5.82	-39.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)CC1	REAL300020261062	1	54	-1.0	-45.63	429.22	5.84	-39.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)OC(C)(C)C)C1	REAL300020261063	0	54	-1.0	-42.71	433.01	5.73	-36.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)OC(C)(C)C)C1	REAL300020261063	1	54	-1.0	-42.68	433.06	5.76	-36.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300020261064	0	51	-1.0	-45.62	431.10	7.59	-38.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300020261064	1	51	-1.0	-45.60	431.15	7.61	-37.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC(C)C)CC1	REAL300020261065	0	51	-1.0	-44.35	419.42	3.83	-40.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC(C)C)CC1	REAL300020261065	1	51	-1.0	-44.33	419.48	3.86	-40.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)CC1	REAL300020261066	0	47	-1.0	-43.16	402.15	5.48	-37.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)CC1	REAL300020261066	1	47	-1.0	-43.13	402.19	5.50	-37.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020261067	0	49	-1.0	-44.28	406.26	4.07	-40.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020261067	1	49	-1.0	-44.27	406.32	4.09	-40.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)CCC)CC1	REAL300020261068	0	53	-1.0	-46.02	428.39	6.79	-39.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)CCC)CC1	REAL300020261068	1	53	-1.0	-46.05	428.45	6.81	-39.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)CCC)CC1	REAL300020261069	0	50	-1.0	-48.36	405.26	5.92	-42.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)CCC)CC1	REAL300020261069	1	50	-1.0	-48.35	405.31	5.95	-42.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020261070	0	53	-1.0	-45.13	427.11	6.49	-38.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020261070	1	53	-1.0	-45.12	427.16	6.51	-38.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020261071	0	50	-1.0	-46.09	402.62	6.03	-40.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020261071	1	50	-1.0	-46.07	402.67	6.05	-40.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020261072	0	51	-1.0	-49.42	419.61	5.39	-44.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020261072	1	51	-1.0	-49.46	419.67	5.41	-44.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020261073	0	48	-1.0	-51.86	396.49	4.52	-47.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020261073	1	48	-1.0	-51.81	396.53	4.55	-47.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020261074	0	49	-1.0	-44.28	406.26	4.07	-40.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020261074	1	49	-1.0	-44.27	406.32	4.09	-40.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020261075	0	54	-1.0	-49.96	437.00	7.16	-42.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020261075	1	54	-1.0	-49.96	437.05	7.18	-42.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020261076	0	51	-1.0	-49.39	418.19	6.46	-42.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020261076	1	51	-1.0	-49.42	418.25	6.48	-42.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCCOC)CC1	REAL300020261077	0	54	-1.0	-44.53	438.00	4.84	-39.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCCOC)CC1	REAL300020261077	1	54	-1.0	-44.50	438.04	4.86	-39.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020261078	0	50	-1.0	-48.85	406.48	5.91	-42.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020261078	1	50	-1.0	-48.86	406.54	5.92	-42.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020261079	0	47	-1.0	-50.58	387.13	4.95	-45.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020261079	1	47	-1.0	-50.59	387.19	4.97	-45.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020261080	0	50	-1.0	-44.79	406.16	5.93	-38.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020261080	1	50	-1.0	-44.77	406.22	5.95	-38.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020261081	0	47	-1.0	-45.88	383.03	5.06	-40.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020261081	1	47	-1.0	-45.91	383.07	5.08	-40.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020261082	0	54	-1.0	-40.96	424.19	5.75	-35.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020261082	1	54	-1.0	-40.98	424.25	5.77	-35.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020261083	0	51	-1.0	-43.93	405.30	5.04	-38.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020261083	1	51	-1.0	-43.91	405.36	5.06	-38.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOCC)CC1	REAL300020261084	0	52	-1.0	-41.00	417.38	5.03	-35.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOCC)CC1	REAL300020261084	1	52	-1.0	-40.98	417.44	5.04	-35.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020261084	1	53	0.0	-64.74	418.22	7.37	-57.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCC)CC1	REAL300020261085	0	49	-1.0	-43.76	397.23	4.27	-39.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCC)CC1	REAL300020261085	1	49	-1.0	-43.75	397.29	4.30	-39.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020261085	1	50	0.0	-62.26	394.53	6.70	-55.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020261086	0	52	-1.0	-40.79	418.73	8.30	-32.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020261086	1	52	-1.0	-40.80	418.79	8.31	-32.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020261087	0	49	-1.0	-42.18	397.28	7.54	-34.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020261087	1	49	-1.0	-42.16	397.23	7.51	-34.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2Cl)CC1	REAL300020261088	0	49	-1.0	-43.56	416.99	7.67	-35.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2Cl)CC1	REAL300020261088	1	49	-1.0	-43.56	417.05	7.67	-35.89
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC	REAL300020261089	0	43	-1.0	-41.54	346.87	8.27	-33.27
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC	REAL300020261089	1	43	-1.0	-41.53	346.90	8.25	-33.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020261090	0	53	0.0	-64.96	406.17	8.78	-56.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020261090	1	53	0.0	-64.99	406.23	8.79	-56.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020261091	0	50	0.0	-63.83	382.38	8.13	-55.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020261091	1	50	0.0	-63.88	382.43	8.15	-55.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3O2)C1	REAL300020261092	0	49	-1.0	-47.62	410.42	6.48	-41.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3O2)C1	REAL300020261092	1	49	-1.0	-47.62	410.48	6.51	-41.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020261093	0	46	-1.0	-39.18	368.73	5.72	-33.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020261093	1	46	-1.0	-39.16	368.79	5.74	-33.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020261093	1	47	0.0	-61.95	377.32	7.96	-53.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020261094	0	43	-1.0	-41.40	349.04	4.78	-36.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020261094	1	43	-1.0	-41.41	349.10	4.80	-36.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020261094	1	44	0.0	-59.21	351.95	7.28	-51.93
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020261095	0	50	-1.0	-41.22	390.50	7.58	-33.64
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020261095	1	51	0.0	-68.71	405.42	10.11	-58.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020261095	1	50	-1.0	-41.26	390.51	7.57	-33.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020261096	0	44	-1.0	-40.63	359.20	5.66	-34.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020261096	1	44	-1.0	-40.66	359.26	5.68	-34.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020261097	0	41	-1.0	-43.76	328.65	5.19	-38.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020261097	1	41	-1.0	-43.78	328.61	5.17	-38.61
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020261098	0	48	-1.0	-42.98	381.77	7.82	-35.16
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020261098	1	48	-1.0	-42.93	381.82	7.81	-35.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020261099	0	53	-1.0	-43.96	411.40	6.96	-37.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020261099	1	53	-1.0	-43.99	411.45	6.97	-37.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020261100	0	50	-1.0	-44.57	393.07	6.27	-38.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020261100	1	50	-1.0	-44.52	393.13	6.30	-38.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)OC(C)(C)C)C1	REAL300020261101	0	54	-1.0	-49.89	421.33	7.27	-42.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)OC(C)(C)C)C1	REAL300020261101	1	54	-1.0	-49.94	421.38	7.30	-42.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020261102	0	49	-1.0	-43.73	415.84	7.43	-36.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020261102	1	49	-1.0	-43.75	415.78	7.42	-36.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020261103	0	46	-1.0	-44.11	393.60	6.85	-37.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020261103	1	46	-1.0	-44.08	393.54	6.82	-37.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020261104	0	40	-1.0	-41.16	340.26	6.84	-34.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020261104	1	40	-1.0	-41.14	340.32	6.86	-34.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020261105	0	37	-1.0	-41.03	315.00	6.20	-34.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020261105	1	37	-1.0	-41.03	314.95	6.16	-34.87
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020261106	0	44	-1.0	-42.96	369.03	8.86	-34.10
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020261106	1	44	-1.0	-42.91	369.09	8.85	-34.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020261107	0	55	-1.0	-39.00	441.04	9.65	-29.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020261107	1	55	-1.0	-38.96	441.10	9.66	-29.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020261108	0	52	-1.0	-41.64	421.11	8.90	-32.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020261108	1	52	-1.0	-41.64	421.16	8.93	-32.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020261109	0	48	-1.0	-47.54	395.83	5.71	-41.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020261109	1	48	-1.0	-47.54	395.89	5.72	-41.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020261110	0	45	-1.0	-50.52	375.89	4.95	-45.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020261110	1	45	-1.0	-50.52	375.93	4.97	-45.55
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020261111	0	50	-1.0	-45.08	411.81	7.39	-37.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020261111	1	50	-1.0	-45.12	411.76	7.37	-37.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020261112	0	47	-1.0	-48.36	392.59	6.65	-41.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020261112	1	47	-1.0	-48.39	392.54	6.63	-41.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020261113	0	48	-1.0	-45.99	401.98	7.74	-38.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020261113	1	48	-1.0	-46.00	402.04	7.76	-38.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020261114	0	52	-1.0	-41.55	427.00	7.91	-33.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020261114	1	52	-1.0	-41.53	427.06	7.92	-33.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020261115	0	49	-1.0	-44.21	407.06	7.16	-37.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020261115	1	49	-1.0	-44.24	407.12	7.18	-37.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020261116	0	45	-1.0	-43.07	390.39	6.77	-36.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020261116	1	45	-1.0	-43.06	390.33	6.74	-36.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CS2)CC1	REAL300020261117	0	48	-1.0	-47.06	412.84	7.85	-39.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CS2)CC1	REAL300020261117	1	48	-1.0	-47.07	412.90	7.87	-39.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CCC2CCCC2)CC1	REAL300020261118	0	57	-1.0	-47.34	448.85	8.94	-38.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CCC2CCCC2)CC1	REAL300020261118	1	57	-1.0	-47.36	448.91	8.97	-38.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Br)=C1	REAL300020261119	0	40	-1.0	-41.12	364.34	8.21	-32.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Br)=C1	REAL300020261119	1	40	-1.0	-41.13	364.39	8.24	-32.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020261120	0	46	-1.0	-38.93	386.06	9.05	-29.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020261120	1	46	-1.0	-38.97	386.12	9.06	-29.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020261121	0	43	-1.0	-42.18	364.50	8.29	-33.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020261121	1	43	-1.0	-42.22	364.44	8.26	-33.96
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020261122	0	50	-1.0	-41.70	403.39	10.99	-30.71
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020261122	1	50	-1.0	-41.67	403.43	10.98	-30.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020261123	0	43	-1.0	-40.30	377.07	8.43	-31.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020261123	1	43	-1.0	-40.30	377.13	8.45	-31.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020261124	0	40	-1.0	-42.53	355.80	7.74	-34.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020261124	1	40	-1.0	-42.50	355.74	7.72	-34.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020261125	0	40	-1.0	-38.28	368.41	7.29	-30.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020261125	1	40	-1.0	-38.33	368.46	7.31	-31.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020261126	0	37	-1.0	-39.48	346.93	6.51	-32.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020261126	1	37	-1.0	-39.42	346.99	6.53	-32.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC(F)(F)F)C=C1	REAL300020261127	0	44	-1.0	-41.32	389.04	7.39	-33.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC(F)(F)F)C=C1	REAL300020261127	1	44	-1.0	-41.29	389.10	7.42	-33.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020261128	0	44	-1.0	-42.60	385.51	8.76	-33.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020261128	1	44	-1.0	-42.62	385.57	8.78	-33.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020261129	0	41	-1.0	-43.75	363.95	8.01	-35.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020261129	1	41	-1.0	-43.76	363.89	7.98	-35.78
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020261130	0	48	-1.0	-44.84	408.07	10.83	-34.01
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020261130	1	48	-1.0	-44.73	408.10	10.83	-33.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020261131	0	44	-1.0	-41.19	385.50	8.78	-32.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020261131	1	44	-1.0	-41.21	385.55	8.79	-32.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020261132	0	41	-1.0	-43.24	363.94	8.02	-35.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020261132	1	41	-1.0	-43.21	363.88	7.99	-35.22
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020261133	0	48	-1.0	-44.45	408.90	10.82	-33.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020261133	1	48	-1.0	-44.42	408.90	10.80	-33.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2C(N)=O)CC1	REAL300020261134	0	49	-1.0	-53.08	409.21	3.99	-49.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2C(N)=O)CC1	REAL300020261134	1	49	-1.0	-53.09	409.15	3.96	-49.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020261135	0	52	-1.0	-38.72	393.73	8.89	-29.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020261135	1	52	-1.0	-38.70	393.79	8.90	-29.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020261136	0	49	-1.0	-41.66	377.49	8.29	-33.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020261136	1	49	-1.0	-41.61	377.43	8.27	-33.34
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020261137	0	56	-1.0	-41.14	431.97	10.86	-30.28
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020261137	1	56	-1.0	-41.18	432.02	10.85	-30.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020261138	0	47	-1.0	-40.88	391.71	9.24	-31.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020261138	1	47	-1.0	-40.89	391.76	9.25	-31.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020261139	0	44	-1.0	-44.74	382.01	8.56	-36.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020261139	1	44	-1.0	-44.72	381.95	8.54	-36.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020261140	0	52	-1.0	-38.96	406.67	9.21	-29.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020261140	1	52	-1.0	-38.92	406.73	9.22	-29.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020261141	0	49	-1.0	-42.06	385.26	8.45	-33.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020261141	1	49	-1.0	-42.11	385.20	8.43	-33.68
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020261142	0	56	-1.0	-41.28	427.77	11.28	-30.00
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020261142	1	56	-1.0	-41.26	427.87	11.27	-29.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020261143	0	57	0.0	-63.89	438.49	8.85	-55.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020261143	1	57	0.0	-63.85	438.54	8.88	-54.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020261144	0	50	-1.0	-41.79	392.32	7.01	-34.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020261144	1	50	-1.0	-41.80	392.38	7.03	-34.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020261145	0	47	-1.0	-43.46	368.93	6.22	-37.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020261145	1	47	-1.0	-43.44	368.87	6.20	-37.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020261146	0	47	-1.0	-42.71	384.84	5.86	-36.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020261146	1	47	-1.0	-42.69	384.78	5.84	-36.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020261147	0	44	-1.0	-44.70	360.75	5.26	-39.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020261147	1	44	-1.0	-44.69	360.70	5.24	-39.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020261148	0	47	-1.0	-38.74	395.82	9.15	-29.59
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020261148	1	47	-1.0	-38.72	395.88	9.16	-29.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020261149	0	44	-1.0	-40.67	372.09	8.47	-32.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020261149	1	44	-1.0	-40.70	372.14	8.50	-32.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020261150	0	47	-1.0	-41.92	398.77	9.60	-32.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020261150	1	47	-1.0	-41.95	398.82	9.61	-32.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020261151	0	44	-1.0	-43.48	365.13	9.13	-34.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020261151	1	44	-1.0	-43.49	365.07	9.11	-34.38
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCC	REAL300020261152	0	46	-1.0	-42.60	364.79	8.16	-34.44
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCC	REAL300020261152	1	46	-1.0	-42.56	364.83	8.16	-34.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020261153	0	51	-1.0	-44.93	417.42	6.80	-38.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020261153	1	51	-1.0	-44.94	417.48	6.81	-38.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020261154	0	48	-1.0	-46.19	393.60	6.13	-40.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020261154	1	48	-1.0	-46.22	393.65	6.14	-40.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020261155	0	46	-1.0	-46.40	392.29	7.20	-39.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020261155	1	46	-1.0	-46.37	392.35	7.22	-39.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020261156	0	45	-1.0	-42.95	365.14	4.81	-38.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020261156	1	45	-1.0	-42.96	365.19	4.83	-38.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020261157	0	42	-1.0	-46.28	348.01	4.26	-42.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020261157	1	42	-1.0	-46.25	347.95	4.23	-42.02
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020261158	0	49	-1.0	-46.07	398.12	6.97	-39.10
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020261158	1	49	-1.0	-46.01	398.18	6.96	-39.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C(C)OCC)=NO1	REAL300020261159	0	51	-1.0	-40.32	433.35	4.47	-35.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C(C)OCC)=NO1	REAL300020261159	1	51	-1.0	-40.34	433.41	4.49	-35.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C(C)OCC)=NO1	REAL300020261160	0	48	-1.0	-42.27	412.04	3.87	-38.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C(C)OCC)=NO1	REAL300020261160	1	48	-1.0	-42.24	412.10	3.89	-38.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)OCC)=N1	REAL300020261161	0	49	-1.0	-45.69	423.57	6.20	-39.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)OCC)=N1	REAL300020261161	1	49	-1.0	-45.64	423.63	6.22	-39.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020261162	0	54	-1.0	-43.32	422.19	8.14	-35.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020261162	1	54	-1.0	-43.30	422.24	8.16	-35.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020261163	0	51	-1.0	-44.30	388.54	7.65	-36.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020261163	1	51	-1.0	-44.30	388.59	7.68	-36.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020261164	0	55	0.0	-67.44	416.80	9.34	-58.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020261164	1	55	0.0	-67.96	414.89	9.16	-58.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020261164	1	55	0.0	-67.51	416.86	9.36	-58.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020261164	1	55	0.0	-67.99	414.94	9.17	-58.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020261165	0	52	0.0	-67.66	397.77	8.63	-59.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020261165	1	52	0.0	-70.46	393.70	8.40	-62.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020261165	1	52	0.0	-67.67	397.83	8.66	-59.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020261165	1	52	0.0	-70.42	393.75	8.42	-62.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCCOC)C1	REAL300020261166	0	51	-1.0	-41.75	410.84	5.84	-35.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCCOC)C1	REAL300020261166	1	51	-1.0	-41.77	410.90	5.85	-35.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCCOC)C1	REAL300020261167	0	48	-1.0	-44.57	397.61	5.20	-39.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCCOC)C1	REAL300020261167	1	48	-1.0	-44.62	397.67	5.22	-39.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020261168	0	56	-1.0	-40.49	403.63	10.47	-30.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020261168	1	56	-1.0	-40.51	403.68	10.49	-30.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020261169	0	53	-1.0	-43.26	381.55	9.84	-33.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020261169	1	53	-1.0	-43.27	381.61	9.85	-33.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020261170	0	51	-1.0	-41.09	421.43	10.75	-30.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020261170	1	51	-1.0	-41.12	421.48	10.76	-30.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020261171	0	48	-1.0	-42.14	394.72	10.08	-32.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020261171	1	48	-1.0	-42.12	394.77	10.09	-32.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020261172	0	50	-1.0	-39.56	421.00	10.63	-28.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020261172	1	50	-1.0	-39.54	421.06	10.64	-28.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020261173	0	47	-1.0	-41.35	397.40	9.95	-31.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020261173	1	47	-1.0	-41.37	397.45	9.98	-31.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020261174	0	53	-1.0	-39.05	421.26	10.69	-28.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020261174	1	53	-1.0	-39.11	421.32	10.70	-28.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020261175	0	50	-1.0	-40.89	398.00	10.03	-30.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020261175	1	50	-1.0	-40.92	398.05	10.06	-30.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020261176	0	52	-1.0	-41.75	419.36	9.16	-32.59
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020261176	1	52	-1.0	-41.81	419.42	9.17	-32.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020261177	0	49	-1.0	-44.78	399.46	8.40	-36.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020261177	1	49	-1.0	-44.81	399.52	8.42	-36.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020261178	0	51	-1.0	-52.06	403.82	7.19	-44.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020261178	1	51	-1.0	-52.06	403.88	7.20	-44.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020261179	0	48	-1.0	-52.27	378.01	6.46	-45.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020261179	1	48	-1.0	-52.26	378.06	6.47	-45.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020261180	0	49	-1.0	-40.29	392.21	6.53	-33.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020261180	1	49	-1.0	-40.25	392.27	6.54	-33.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020261181	0	46	-1.0	-42.18	373.40	5.87	-36.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020261181	1	46	-1.0	-42.18	373.35	5.85	-36.33
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC(C)(C)C	REAL300020261182	0	53	-1.0	-41.48	423.49	8.61	-32.87
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC(C)(C)C	REAL300020261182	1	53	-1.0	-41.47	423.54	8.60	-32.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020261183	0	48	-1.0	-40.11	411.54	7.79	-32.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020261183	1	48	-1.0	-40.10	411.59	7.81	-32.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020261184	0	45	-1.0	-41.80	386.13	7.09	-34.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020261184	1	45	-1.0	-41.74	386.08	7.07	-34.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020261185	0	54	-1.0	-40.45	397.82	8.66	-31.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020261185	1	54	-1.0	-40.43	397.88	8.68	-31.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020261186	0	51	-1.0	-41.73	386.11	7.73	-34.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020261186	1	51	-1.0	-41.74	386.17	7.75	-33.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)C(C)=NN2C)CC1	REAL300020261187	0	50	-1.0	-43.94	421.23	6.05	-37.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)C(C)=NN2C)CC1	REAL300020261187	1	50	-1.0	-43.90	421.28	6.08	-37.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)(C)C)C1	REAL300020261188	0	56	-1.0	-50.23	444.10	7.17	-43.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)(C)C)C1	REAL300020261188	1	56	-1.0	-50.23	444.16	7.20	-43.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCC)CC1	REAL300020261189	0	53	-1.0	-42.87	427.46	6.65	-36.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCC)CC1	REAL300020261189	1	53	-1.0	-42.87	427.51	6.66	-36.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCC)CC1	REAL300020261190	0	50	-1.0	-43.62	404.33	5.78	-37.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCC)CC1	REAL300020261190	1	50	-1.0	-43.65	404.37	5.80	-37.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020261191	0	47	-1.0	-48.78	385.02	4.82	-43.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020261191	1	47	-1.0	-48.77	385.08	4.83	-43.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020261192	0	44	-1.0	-50.30	365.25	4.08	-46.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020261192	1	44	-1.0	-50.30	365.19	4.06	-46.24
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020261193	0	51	-1.0	-51.14	408.87	6.95	-44.19
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020261193	1	51	-1.0	-51.10	408.89	6.93	-44.17
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020261194	0	48	-1.0	-46.30	386.98	2.89	-43.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020261194	1	48	-1.0	-46.31	387.04	2.91	-43.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020261195	0	45	-1.0	-49.39	379.21	2.83	-46.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020261195	1	45	-1.0	-49.47	379.26	2.86	-46.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020261196	0	48	-1.0	-46.68	383.79	4.54	-42.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020261196	1	48	-1.0	-46.67	383.84	4.55	-42.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020261197	0	45	-1.0	-48.44	363.86	3.79	-44.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020261197	1	45	-1.0	-48.46	363.91	3.81	-44.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020261198	0	46	-1.0	-46.39	374.80	4.59	-41.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020261198	1	46	-1.0	-46.43	374.86	4.60	-41.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020261199	0	43	-1.0	-48.74	356.93	3.71	-45.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020261199	1	43	-1.0	-48.73	356.87	3.69	-45.04
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020261200	0	50	-1.0	-48.70	400.26	6.54	-42.16
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020261200	1	50	-1.0	-48.61	400.25	6.53	-42.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020261201	0	51	-1.0	-49.49	419.21	7.46	-42.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020261201	1	51	-1.0	-49.52	419.25	7.48	-42.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020261202	0	50	-1.0	-47.40	403.09	5.75	-41.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020261202	1	50	-1.0	-47.37	403.14	5.77	-41.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020261203	0	47	-1.0	-50.39	379.96	4.88	-45.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020261203	1	47	-1.0	-50.35	380.00	4.91	-45.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020261204	0	53	-1.0	-44.35	415.79	5.94	-38.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020261204	1	53	-1.0	-44.37	415.85	5.95	-38.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020261205	0	50	-1.0	-46.86	392.05	5.26	-41.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020261205	1	50	-1.0	-46.88	392.10	5.29	-41.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020261206	0	55	-1.0	-44.20	432.22	6.47	-37.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020261206	1	55	-1.0	-44.21	432.28	6.49	-37.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020261207	0	52	-1.0	-47.62	412.19	5.73	-41.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020261207	1	52	-1.0	-47.62	412.24	5.75	-41.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(=O)NC	REAL300020261208	0	46	-1.0	-44.65	383.61	4.42	-40.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(=O)NC	REAL300020261208	1	46	-1.0	-44.69	383.67	4.43	-40.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(=O)NC	REAL300020261209	0	43	-1.0	-44.84	360.89	3.84	-41.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(=O)NC	REAL300020261209	1	43	-1.0	-44.79	360.84	3.82	-40.97
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC(=O)NC	REAL300020261210	0	50	-1.0	-46.07	415.05	6.49	-39.58
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC(=O)NC	REAL300020261210	1	50	-1.0	-46.02	415.10	6.48	-39.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020261211	0	49	-1.0	-42.46	404.21	4.42	-38.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020261211	1	49	-1.0	-42.41	404.27	4.43	-37.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020261212	0	46	-1.0	-44.13	384.27	3.67	-40.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020261212	1	46	-1.0	-44.12	384.33	3.70	-40.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)C(F)(F)F)CC1	REAL300020261213	0	47	-1.0	-44.00	402.53	5.48	-38.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)C(F)(F)F)CC1	REAL300020261213	1	47	-1.0	-44.03	402.49	5.46	-38.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020261214	0	53	-1.0	-47.74	423.53	6.69	-41.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020261214	1	53	-1.0	-47.74	423.59	6.70	-41.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020261215	0	50	-1.0	-48.89	413.05	5.83	-43.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020261215	1	50	-1.0	-48.90	413.12	5.85	-43.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020261216	0	50	-1.0	-42.95	410.32	4.77	-38.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020261216	1	50	-1.0	-42.92	410.38	4.79	-38.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020261217	0	47	-1.0	-47.29	383.79	3.90	-43.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020261217	1	47	-1.0	-47.28	383.85	3.92	-43.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020261218	0	47	-1.0	-54.01	379.07	4.75	-49.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020261218	1	47	-1.0	-53.99	379.12	4.76	-49.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020261219	0	44	-1.0	-53.74	355.78	3.79	-49.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020261219	1	44	-1.0	-53.72	355.73	3.77	-49.95
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020261220	0	51	-1.0	-54.86	407.89	6.71	-48.15
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020261220	1	51	-1.0	-54.84	407.88	6.70	-48.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020261221	0	54	-1.0	-45.09	432.79	5.95	-39.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020261221	1	54	-1.0	-45.09	432.84	5.98	-39.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(NC(=O)OC(C)(C)C)C1	REAL300020261222	0	54	-1.0	-45.13	425.14	5.49	-39.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(NC(=O)OC(C)(C)C)C1	REAL300020261222	1	54	-1.0	-45.16	425.19	5.51	-39.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020261223	0	45	-1.0	-47.86	376.65	3.59	-44.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020261223	1	45	-1.0	-47.90	376.71	3.61	-44.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020261224	0	42	-1.0	-49.56	357.94	2.90	-46.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020261224	1	42	-1.0	-49.57	357.89	2.87	-46.70
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020261225	0	49	-1.0	-49.71	407.99	5.66	-44.05
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020261225	1	49	-1.0	-49.68	408.03	5.65	-44.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020261226	0	46	-1.0	-49.62	374.81	5.01	-44.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020261226	1	46	-1.0	-49.61	374.86	5.02	-44.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020261227	0	43	-1.0	-50.82	361.92	3.89	-46.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020261227	1	43	-1.0	-50.85	361.87	3.87	-46.98
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020261228	0	50	-1.0	-51.14	411.90	6.61	-44.53
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020261228	1	50	-1.0	-51.19	411.94	6.60	-44.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020261229	0	46	-1.0	-49.61	377.52	4.25	-45.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020261229	1	46	-1.0	-49.61	377.58	4.26	-45.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020261230	0	43	-1.0	-49.01	351.87	3.55	-45.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020261230	1	43	-1.0	-49.05	351.82	3.52	-45.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020261231	0	44	-1.0	-45.26	362.88	3.74	-41.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020261231	1	44	-1.0	-45.25	362.94	3.76	-41.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020261232	0	41	-1.0	-45.81	343.34	2.84	-42.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020261232	1	41	-1.0	-45.77	343.28	2.82	-42.95
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020261233	0	48	-1.0	-47.77	385.08	5.61	-42.16
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020261233	1	48	-1.0	-47.74	385.14	5.59	-42.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020261234	0	46	-1.0	-49.16	370.65	3.07	-46.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020261234	1	46	-1.0	-49.17	370.71	3.08	-46.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020261235	0	43	-1.0	-53.83	358.83	3.06	-50.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020261235	1	43	-1.0	-53.78	358.79	3.04	-50.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020261236	0	49	-1.0	-43.06	403.15	5.14	-37.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020261236	1	49	-1.0	-43.10	403.21	5.16	-37.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020261237	0	46	-1.0	-45.11	384.42	4.47	-40.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020261237	1	46	-1.0	-45.13	384.37	4.45	-40.68
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020261238	0	53	-1.0	-44.73	434.59	7.21	-37.52
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020261238	1	53	-1.0	-44.70	434.64	7.20	-37.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2C(=O)NCC2CC2)CC1	REAL300020261239	0	55	-1.0	-45.20	443.95	8.03	-37.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2C(=O)NCC2CC2)CC1	REAL300020261239	1	55	-1.0	-45.26	443.99	8.04	-37.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020261240	0	47	-1.0	-46.28	401.81	5.51	-40.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020261240	1	47	-1.0	-46.22	401.87	5.52	-40.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020261241	0	44	-1.0	-46.25	380.31	4.72	-41.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020261241	1	44	-1.0	-46.27	380.36	4.75	-41.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020261242	0	46	-1.0	-45.62	378.34	4.22	-41.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020261242	1	46	-1.0	-45.65	378.40	4.23	-41.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020261243	0	43	-1.0	-45.45	357.31	3.25	-42.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020261243	1	43	-1.0	-45.47	357.25	3.23	-42.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020261244	0	43	-1.0	-39.02	364.09	7.82	-31.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020261244	1	43	-1.0	-38.99	364.15	7.83	-31.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020261245	0	40	-1.0	-40.77	340.27	7.15	-33.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020261245	1	40	-1.0	-40.84	340.32	7.16	-33.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020261246	0	37	-1.0	-41.40	310.71	6.00	-35.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020261246	1	37	-1.0	-41.41	310.77	6.01	-35.40
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020261247	0	41	-1.0	-43.82	338.60	7.95	-35.87
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020261247	1	41	-1.0	-43.78	338.63	7.93	-35.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020261248	0	52	0.0	-68.26	402.89	6.99	-61.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020261248	1	52	0.0	-68.24	402.95	7.00	-61.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020261249	0	49	0.0	-67.26	379.06	6.36	-60.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020261249	1	49	0.0	-67.26	379.01	6.34	-60.92
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020261250	0	56	0.0	-75.47	428.45	9.18	-66.29
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020261250	1	56	0.0	-75.43	428.48	9.17	-66.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020261251	0	47	-1.0	-44.66	383.11	6.32	-38.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020261251	1	47	-1.0	-44.64	383.17	6.34	-38.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020261252	0	44	-1.0	-47.68	363.25	5.60	-42.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020261252	1	44	-1.0	-47.69	363.20	5.58	-42.11
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020261253	0	51	-1.0	-47.58	413.40	8.34	-39.24
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020261253	1	51	-1.0	-47.53	413.44	8.33	-39.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C(F)=C2)C1	REAL300020261254	0	45	-1.0	-42.60	390.36	7.65	-34.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C(F)=C2)C1	REAL300020261254	1	45	-1.0	-42.59	390.42	7.68	-34.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020261255	0	49	-1.0	-41.54	382.59	3.98	-37.56
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020261255	1	49	-1.0	-41.61	382.65	4.00	-37.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020261256	0	46	-1.0	-42.90	372.07	3.09	-39.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020261256	1	46	-1.0	-42.92	372.12	3.12	-39.80
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1CCOCC1	REAL300020261257	0	53	-1.0	-42.83	422.17	5.87	-36.96
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1CCOCC1	REAL300020261257	1	53	-1.0	-42.84	422.21	5.86	-36.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020261258	0	48	-1.0	-42.51	389.97	7.71	-34.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020261258	1	48	-1.0	-42.57	390.03	7.73	-34.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020261259	0	45	-1.0	-44.11	382.58	7.65	-36.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020261259	1	45	-1.0	-44.13	382.53	7.63	-36.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020261260	0	48	-1.0	-44.06	404.53	8.36	-35.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020261260	1	48	-1.0	-44.06	404.58	8.37	-35.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020261261	0	45	-1.0	-45.14	384.12	7.62	-37.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020261261	1	45	-1.0	-45.07	384.07	7.60	-37.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020261262	0	46	-1.0	-39.97	363.17	7.61	-32.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020261262	1	46	-1.0	-39.98	363.23	7.62	-32.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020261263	0	43	-1.0	-41.66	341.73	6.85	-34.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020261263	1	43	-1.0	-41.63	341.67	6.82	-34.81
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020261264	0	50	-1.0	-41.10	382.38	9.57	-31.53
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020261264	1	50	-1.0	-41.08	382.27	9.56	-31.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)OCC)CC1	REAL300020261265	0	54	-1.0	-42.67	432.19	7.74	-34.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)OCC)CC1	REAL300020261265	1	54	-1.0	-42.68	432.25	7.76	-34.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)OCC)CC1	REAL300020261266	0	51	-1.0	-45.71	408.37	7.07	-38.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)OCC)CC1	REAL300020261266	1	51	-1.0	-45.73	408.42	7.09	-38.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020261267	0	49	-1.0	-42.10	404.36	9.93	-32.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020261267	1	49	-1.0	-42.08	404.42	9.94	-32.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020261268	0	46	-1.0	-42.37	380.05	9.30	-33.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020261268	1	46	-1.0	-42.39	379.99	9.28	-33.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020261269	0	55	-1.0	-40.29	436.27	9.54	-30.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020261269	1	55	-1.0	-40.31	436.32	9.55	-30.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020261270	0	52	-1.0	-41.37	413.14	8.68	-32.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020261270	1	52	-1.0	-41.35	413.18	8.70	-32.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+](CC)CC)CC1	REAL300020261271	0	56	0.0	-68.12	434.75	7.63	-60.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020261272	0	54	0.0	-65.57	422.41	7.55	-58.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020261273	0	40	-1.0	-47.41	347.83	2.74	-44.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020261273	1	40	-1.0	-47.37	347.89	2.76	-44.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020261274	0	37	-1.0	-47.44	326.38	1.98	-45.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020261274	1	37	-1.0	-47.47	326.32	1.96	-45.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020261275	0	44	-1.0	-49.18	367.67	4.73	-44.45
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020261275	1	44	-1.0	-49.18	367.41	4.71	-44.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2OC)CC1	REAL300020261276	0	53	-1.0	-43.61	424.40	6.64	-36.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2OC)CC1	REAL300020261276	1	53	-1.0	-43.58	424.46	6.67	-36.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2OC)CC1	REAL300020261276	1	54	0.0	-61.74	422.96	8.99	-52.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020261277	0	43	-1.0	-38.65	376.95	8.32	-30.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020261277	1	43	-1.0	-38.62	377.01	8.34	-30.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020261278	0	40	-1.0	-43.48	353.55	7.68	-35.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020261278	1	40	-1.0	-43.50	353.49	7.66	-35.84
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020261279	0	47	-1.0	-42.08	399.38	10.37	-31.71
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020261279	1	47	-1.0	-42.07	399.43	10.36	-31.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020261280	0	42	-1.0	-40.79	352.37	5.83	-34.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020261280	1	42	-1.0	-40.74	352.43	5.84	-34.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020261281	0	39	-1.0	-42.12	341.27	5.20	-36.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020261281	1	39	-1.0	-42.11	341.21	5.18	-36.93
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020261282	0	46	-1.0	-42.17	394.01	8.06	-34.11
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020261282	1	46	-1.0	-42.16	394.05	8.06	-34.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020261283	0	41	-1.0	-39.04	335.88	6.62	-32.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020261283	1	41	-1.0	-39.04	335.94	6.64	-32.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020261284	0	38	-1.0	-41.10	314.45	5.86	-35.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020261284	1	38	-1.0	-41.11	314.39	5.83	-35.28
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)C1	REAL300020261285	0	45	-1.0	-40.65	372.85	9.25	-31.40
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)C1	REAL300020261285	1	45	-1.0	-40.65	372.94	9.25	-31.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NC(C)=C(C)O2)CC1	REAL300020261286	0	54	-1.0	-44.11	438.22	3.85	-40.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NC(C)=C(C)O2)CC1	REAL300020261286	1	54	-1.0	-44.14	438.27	3.86	-40.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NC(C)=C(C)O2)CC1	REAL300020261287	0	51	-1.0	-45.56	418.08	3.35	-42.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NC(C)=C(C)O2)CC1	REAL300020261287	1	51	-1.0	-45.56	418.13	3.37	-42.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020261288	0	43	-1.0	-39.68	378.09	8.80	-30.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020261288	1	43	-1.0	-39.75	378.14	8.81	-30.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020261289	0	40	-1.0	-41.74	356.65	8.04	-33.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020261289	1	40	-1.0	-41.71	356.60	8.01	-33.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020261290	0	51	-1.0	-42.08	423.10	7.51	-34.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020261290	1	51	-1.0	-42.09	423.16	7.52	-34.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020261291	0	48	-1.0	-43.05	385.45	6.97	-36.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020261291	1	48	-1.0	-43.03	385.40	6.96	-36.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020261292	0	51	-1.0	-41.37	416.98	7.18	-34.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020261292	1	51	-1.0	-41.43	417.04	7.20	-34.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020261293	0	48	-1.0	-45.17	402.17	6.29	-38.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020261293	1	48	-1.0	-45.17	402.12	6.26	-38.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020261294	0	43	-1.0	-39.48	368.65	7.38	-32.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020261294	1	43	-1.0	-39.50	368.71	7.40	-32.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020261295	0	40	-1.0	-42.45	347.19	6.67	-35.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020261295	1	40	-1.0	-42.41	347.13	6.65	-35.76
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020261296	0	47	-1.0	-41.86	397.27	9.41	-32.45
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020261296	1	47	-1.0	-41.82	397.32	9.40	-32.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020261297	0	43	-1.0	-42.86	372.16	8.69	-34.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020261297	1	43	-1.0	-42.85	372.21	8.70	-34.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020261298	0	40	-1.0	-45.32	356.98	7.86	-37.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020261298	1	40	-1.0	-45.30	356.93	7.83	-37.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020261299	0	46	-1.0	-40.04	392.04	9.44	-30.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020261299	1	46	-1.0	-40.05	392.10	9.45	-30.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020261300	0	43	-1.0	-41.10	381.78	8.60	-32.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020261300	1	43	-1.0	-41.13	381.84	8.62	-32.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020261301	0	52	-1.0	-49.27	417.77	6.76	-42.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020261301	1	52	-1.0	-49.32	417.83	6.77	-42.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020261302	0	49	-1.0	-50.69	395.59	5.90	-44.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020261302	1	49	-1.0	-50.70	395.64	5.93	-44.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3O2)CC1	REAL300020261303	0	49	-1.0	-45.87	405.89	6.78	-39.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3O2)CC1	REAL300020261303	1	49	-1.0	-45.89	405.94	6.79	-39.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020261304	0	51	-1.0	-46.74	418.31	8.24	-38.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020261304	1	51	-1.0	-46.79	418.37	8.25	-38.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020261305	0	48	-1.0	-46.30	395.62	7.66	-38.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020261305	1	48	-1.0	-46.28	395.68	7.68	-38.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020261306	0	43	-1.0	-39.95	378.15	8.76	-31.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020261306	1	43	-1.0	-39.94	378.21	8.77	-31.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020261307	0	40	-1.0	-41.18	359.83	8.13	-33.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020261307	1	40	-1.0	-41.16	359.77	8.11	-33.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020261308	0	43	-1.0	-38.99	396.28	9.28	-29.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020261308	1	43	-1.0	-39.01	396.34	9.30	-29.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020261309	0	40	-1.0	-41.35	374.96	8.57	-32.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020261309	1	40	-1.0	-41.40	375.02	8.59	-32.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020261310	0	47	-1.0	-39.83	409.66	8.85	-30.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020261310	1	47	-1.0	-39.83	409.71	8.87	-30.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020261311	0	44	-1.0	-42.47	382.60	8.18	-34.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020261311	1	44	-1.0	-42.49	382.66	8.21	-34.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020261312	0	44	-1.0	-50.02	364.82	3.35	-46.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020261312	1	44	-1.0	-50.01	364.88	3.37	-46.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020261313	0	41	-1.0	-56.22	340.34	2.60	-53.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020261313	1	41	-1.0	-56.16	340.29	2.59	-53.57
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020261314	0	48	-1.0	-51.18	384.62	5.37	-45.81
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020261314	1	48	-1.0	-51.15	384.65	5.34	-45.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020261315	0	40	-1.0	-39.46	346.73	6.56	-32.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020261315	1	40	-1.0	-39.45	346.79	6.57	-32.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020261316	0	37	-1.0	-41.08	309.01	6.04	-35.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020261316	1	37	-1.0	-41.10	308.96	6.03	-35.07
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CO1	REAL300020261317	0	44	-1.0	-42.51	369.27	8.77	-33.74
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CO1	REAL300020261317	1	44	-1.0	-42.43	369.31	8.75	-33.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020261318	0	49	-1.0	-41.87	409.16	7.54	-34.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020261318	1	49	-1.0	-41.83	409.22	7.55	-34.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020261319	0	46	-1.0	-44.01	387.60	6.78	-37.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020261319	1	46	-1.0	-44.02	387.54	6.76	-37.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300020261320	0	49	-1.0	-42.28	416.49	7.43	-34.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300020261320	1	49	-1.0	-42.31	416.54	7.46	-34.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020261321	0	52	0.0	-64.21	402.87	8.60	-55.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020261321	1	52	0.0	-64.24	402.93	8.61	-55.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020261322	0	49	0.0	-61.86	379.29	7.97	-53.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020261322	1	49	0.0	-61.83	379.25	7.95	-53.88
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020261323	0	56	0.0	-70.47	423.95	10.65	-59.82
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020261323	1	56	0.0	-70.44	423.90	10.66	-59.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020261324	0	50	-1.0	-39.95	376.22	8.56	-31.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020261324	1	50	-1.0	-39.94	376.28	8.57	-31.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020261325	0	47	-1.0	-40.97	364.82	8.56	-32.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020261325	1	47	-1.0	-40.95	364.77	8.53	-32.42
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCC2C1	REAL300020261326	0	54	-1.0	-41.93	414.60	11.18	-30.75
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCC2C1	REAL300020261326	1	54	-1.0	-41.88	414.65	11.16	-30.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(C#N)C=C2)CC1	REAL300020261327	0	50	-1.0	-45.54	421.45	7.49	-38.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(C#N)C=C2)CC1	REAL300020261327	1	50	-1.0	-45.60	421.50	7.52	-38.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C#N)C=C2)CC1	REAL300020261327	1	51	0.0	-78.39	419.75	9.76	-68.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020261328	0	53	-1.0	-40.15	416.58	5.59	-34.56
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020261328	1	53	-1.0	-40.17	416.64	5.60	-34.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020261328	1	54	0.0	-65.01	417.65	7.72	-57.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020261329	0	50	-1.0	-42.55	396.64	4.84	-37.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020261329	1	50	-1.0	-42.55	396.70	4.85	-37.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020261329	1	51	0.0	-63.34	393.71	7.06	-56.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020261330	0	56	0.0	-68.04	444.47	10.77	-57.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020261330	1	55	-1.0	-40.13	442.00	8.51	-31.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020261330	1	55	-1.0	-40.15	442.06	8.52	-31.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020261331	0	52	-1.0	-42.67	422.06	7.76	-34.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020261331	1	53	0.0	-66.08	420.73	10.11	-55.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020261331	1	52	-1.0	-42.69	422.12	7.78	-34.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020261332	0	47	-1.0	-46.87	387.83	5.22	-41.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020261332	1	47	-1.0	-46.88	387.89	5.23	-41.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020261333	0	44	-1.0	-46.28	377.63	4.41	-41.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020261333	1	44	-1.0	-46.30	377.57	4.38	-41.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020261334	0	49	-1.0	-58.97	413.51	5.83	-53.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020261334	1	49	-1.0	-58.96	413.45	5.82	-53.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020261335	0	46	-1.0	-61.24	392.01	5.06	-56.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020261335	1	46	-1.0	-61.24	391.95	5.04	-56.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020261336	0	55	0.0	-64.96	408.14	8.95	-56.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020261336	1	55	0.0	-64.96	408.20	8.96	-56.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020261337	0	52	0.0	-63.28	380.06	8.26	-55.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020261337	1	52	0.0	-63.28	380.10	8.27	-55.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020261338	0	54	-1.0	-39.25	434.94	9.83	-29.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020261338	1	54	-1.0	-39.32	435.00	9.84	-29.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020261339	0	51	-1.0	-41.26	411.34	9.11	-32.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020261339	1	51	-1.0	-41.26	411.39	9.14	-32.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)CC1	REAL300020261340	0	46	-1.0	-38.83	365.88	8.15	-30.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)CC1	REAL300020261340	1	46	-1.0	-38.83	365.93	8.17	-30.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)CC1	REAL300020261341	0	43	-1.0	-41.23	342.10	7.50	-33.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)CC1	REAL300020261341	1	43	-1.0	-41.21	342.05	7.49	-33.72
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)CC1	REAL300020261342	0	50	-1.0	-41.64	394.93	10.14	-31.50
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)CC1	REAL300020261342	1	50	-1.0	-41.66	394.97	10.13	-31.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020261343	0	43	-1.0	-44.80	367.92	6.43	-38.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020261343	1	43	-1.0	-44.79	367.86	6.42	-38.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020261344	0	40	-1.0	-47.04	342.17	5.72	-41.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020261344	1	40	-1.0	-47.03	342.12	5.71	-41.32
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1C=CC=N1	REAL300020261345	0	47	-1.0	-47.16	387.80	8.47	-38.69
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1C=CC=N1	REAL300020261345	1	47	-1.0	-47.19	387.77	8.49	-38.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020261346	0	48	-1.0	-50.53	401.90	7.52	-43.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020261346	1	48	-1.0	-50.54	401.96	7.55	-42.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020261347	0	57	0.0	-71.12	437.32	8.14	-62.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020261347	1	57	0.0	-71.13	437.37	8.15	-62.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020261348	0	54	0.0	-68.77	415.87	7.36	-61.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020261348	1	54	0.0	-68.79	415.93	7.38	-61.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020261349	0	47	-1.0	-39.01	382.62	6.41	-32.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020261349	1	47	-1.0	-39.05	382.67	6.42	-32.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020261350	0	44	-1.0	-41.42	361.29	5.64	-35.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020261350	1	44	-1.0	-41.39	361.23	5.62	-35.77
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020261351	0	51	-1.0	-41.34	411.50	8.42	-32.92
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020261351	1	51	-1.0	-41.32	411.56	8.41	-32.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020261352	0	53	-1.0	-39.17	397.74	9.86	-29.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020261352	1	53	-1.0	-39.15	397.80	9.87	-29.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020261353	0	50	-1.0	-41.26	378.53	8.93	-32.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020261353	1	50	-1.0	-41.25	378.47	8.91	-32.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020261354	0	50	0.0	-62.88	388.63	8.57	-54.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020261354	1	49	-1.0	-38.51	390.06	6.30	-32.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020261354	1	49	-1.0	-38.54	390.12	6.31	-32.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020261355	0	47	0.0	-60.15	368.83	7.83	-52.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020261355	1	47	0.0	-60.19	368.78	7.80	-52.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020261355	1	46	-1.0	-41.39	370.18	5.57	-35.82
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020261356	0	54	0.0	-69.33	422.23	10.67	-58.66
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020261356	1	53	-1.0	-40.44	417.29	8.25	-32.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020261357	0	49	-1.0	-42.73	398.04	5.46	-37.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020261357	1	49	-1.0	-42.72	397.98	5.45	-37.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020261358	0	46	-1.0	-45.38	382.03	4.66	-40.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020261358	1	46	-1.0	-45.41	381.97	4.63	-40.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020261359	0	59	0.0	-63.98	439.35	9.89	-54.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020261359	1	59	0.0	-64.00	439.40	9.91	-54.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020261360	0	56	0.0	-61.38	412.53	9.25	-52.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020261360	1	56	0.0	-61.37	412.57	9.27	-52.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020261361	0	46	-1.0	-42.32	384.77	7.08	-35.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020261361	1	46	-1.0	-42.35	384.82	7.10	-35.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)C(F)F)CC1	REAL300020261362	0	45	-1.0	-47.97	386.15	5.49	-42.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)C(F)F)CC1	REAL300020261362	1	45	-1.0	-48.01	386.20	5.51	-42.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COCC)C1	REAL300020261363	0	50	-1.0	-39.80	404.68	7.39	-32.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COCC)C1	REAL300020261363	1	50	-1.0	-39.79	404.74	7.40	-32.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COCC)C1	REAL300020261364	0	47	-1.0	-42.10	381.39	6.78	-35.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COCC)C1	REAL300020261364	1	47	-1.0	-42.07	381.33	6.75	-35.32
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(COCC)C1	REAL300020261365	0	54	-1.0	-41.17	433.36	9.39	-31.78
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(COCC)C1	REAL300020261365	1	54	-1.0	-41.17	433.41	9.38	-31.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020261366	0	44	-1.0	-49.86	381.05	1.47	-48.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020261366	1	44	-1.0	-49.92	381.10	1.49	-48.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020261367	0	41	-1.0	-51.46	362.26	0.78	-50.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020261367	1	41	-1.0	-51.43	362.32	0.80	-50.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020261368	0	53	-1.0	-40.53	417.11	10.91	-29.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020261368	1	53	-1.0	-40.56	417.17	10.93	-29.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020261369	0	50	-1.0	-41.97	391.75	10.23	-31.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020261369	1	50	-1.0	-41.97	391.70	10.21	-31.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020261370	0	46	-1.0	-41.75	389.41	6.99	-34.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020261370	1	46	-1.0	-41.76	389.36	6.97	-34.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020261371	0	43	-1.0	-43.99	365.73	6.38	-37.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020261371	1	43	-1.0	-44.02	365.67	6.36	-37.66
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020261372	0	50	-1.0	-44.16	412.50	9.05	-35.11
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020261372	1	50	-1.0	-44.22	412.46	9.06	-35.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020261373	0	46	-1.0	-39.23	364.78	8.30	-30.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020261373	1	46	-1.0	-39.25	364.83	8.31	-30.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020261374	0	43	-1.0	-41.95	339.38	7.61	-34.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020261374	1	43	-1.0	-41.95	339.33	7.60	-34.35
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020261375	0	50	-1.0	-43.41	377.35	9.55	-33.86
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020261375	1	50	-1.0	-43.39	377.37	9.54	-33.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020261376	0	50	-1.0	-42.36	405.92	10.19	-32.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020261376	1	50	-1.0	-42.40	405.98	10.21	-32.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020261377	0	47	-1.0	-44.93	384.42	9.41	-35.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020261377	1	47	-1.0	-44.92	384.48	9.43	-35.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020261378	0	45	-1.0	-48.77	364.33	5.18	-43.59
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020261378	1	45	-1.0	-48.76	364.39	5.19	-43.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020261379	0	42	-1.0	-51.63	343.00	4.42	-47.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020261379	1	42	-1.0	-51.59	342.96	4.39	-47.20
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020261380	0	49	-1.0	-49.74	393.07	7.50	-42.24
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020261380	1	49	-1.0	-49.76	393.11	7.50	-42.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020261381	0	47	-1.0	-44.35	401.08	6.43	-37.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020261381	1	47	-1.0	-44.29	401.03	6.42	-37.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020261382	0	44	-1.0	-45.55	367.24	5.70	-39.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020261382	1	44	-1.0	-45.56	367.18	5.67	-39.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020261383	0	46	-1.0	-43.43	366.60	6.75	-36.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020261383	1	46	-1.0	-43.48	366.65	6.76	-36.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020261384	0	43	-1.0	-44.08	342.55	6.17	-37.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020261384	1	43	-1.0	-44.09	342.50	6.15	-37.94
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020261385	0	50	-1.0	-46.76	405.83	9.41	-37.35
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020261385	1	50	-1.0	-46.74	405.92	9.40	-37.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020261386	0	51	-1.0	-40.38	419.25	9.02	-31.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020261386	1	51	-1.0	-40.35	419.31	9.04	-31.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020261387	0	48	-1.0	-42.48	400.11	8.09	-34.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020261387	1	48	-1.0	-42.48	400.16	8.11	-34.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020261388	0	54	-1.0	-42.59	438.11	9.85	-32.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020261388	1	54	-1.0	-42.63	438.17	9.86	-32.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020261389	0	51	-1.0	-43.24	421.66	8.89	-34.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020261389	1	51	-1.0	-43.24	421.72	8.90	-34.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020261390	0	47	-1.0	-42.44	380.78	6.24	-36.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020261390	1	47	-1.0	-42.44	380.84	6.26	-36.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020261391	0	44	-1.0	-43.38	346.85	5.52	-37.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020261391	1	44	-1.0	-43.40	346.79	5.50	-37.90
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020261392	0	51	-1.0	-44.09	405.16	8.36	-35.73
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020261392	1	51	-1.0	-44.06	405.18	8.36	-35.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020261393	0	50	-1.0	-38.52	397.76	7.03	-31.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020261393	1	50	-1.0	-38.51	397.82	7.05	-31.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020261394	0	47	-1.0	-40.27	364.64	6.54	-33.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020261394	1	47	-1.0	-40.26	364.61	6.52	-33.74
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020261395	0	54	-1.0	-41.05	426.72	9.02	-32.03
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020261395	1	54	-1.0	-41.04	426.76	9.01	-32.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020261396	0	51	-1.0	-40.62	401.12	7.68	-32.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020261396	1	51	-1.0	-40.65	401.18	7.70	-32.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020261397	0	48	-1.0	-41.53	372.61	6.89	-34.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020261397	1	48	-1.0	-41.52	372.66	6.91	-34.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020261398	0	47	-1.0	-45.01	380.32	5.91	-39.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020261398	1	47	-1.0	-44.97	380.38	5.93	-39.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020261399	0	44	-1.0	-43.76	373.11	5.78	-37.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020261399	1	44	-1.0	-43.77	373.16	5.81	-37.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020261400	0	50	-1.0	-39.03	413.32	10.17	-28.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020261400	1	50	-1.0	-39.04	413.38	10.18	-28.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020261401	0	47	-1.0	-42.38	391.58	9.45	-32.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020261401	1	47	-1.0	-42.39	391.53	9.41	-32.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020261402	0	44	-1.0	-46.67	366.88	7.88	-38.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020261402	1	44	-1.0	-46.65	366.94	7.89	-38.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020261403	0	41	-1.0	-48.87	343.80	7.03	-41.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020261403	1	41	-1.0	-48.86	343.76	7.00	-41.86
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020261404	0	48	-1.0	-47.99	387.72	9.70	-38.29
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020261404	1	48	-1.0	-47.95	387.77	9.69	-38.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CC)C1	REAL300020261405	0	49	-1.0	-39.18	377.51	8.74	-30.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CC)C1	REAL300020261405	1	49	-1.0	-39.17	377.57	8.76	-30.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CC)C1	REAL300020261406	0	46	-1.0	-42.36	358.51	7.83	-34.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CC)C1	REAL300020261406	1	46	-1.0	-42.30	358.45	7.80	-34.50
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(CC)C1	REAL300020261407	0	53	-1.0	-41.43	399.27	10.68	-30.75
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(CC)C1	REAL300020261407	1	53	-1.0	-41.40	399.32	10.67	-30.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020261408	0	49	-1.0	-39.63	408.34	9.99	-29.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020261408	1	49	-1.0	-39.68	408.40	10.01	-29.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020261409	0	46	-1.0	-42.89	386.84	9.25	-33.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020261409	1	46	-1.0	-42.91	386.79	9.23	-33.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020261410	0	46	-1.0	-40.91	381.35	7.52	-33.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020261410	1	46	-1.0	-40.93	381.41	7.53	-33.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020261411	0	43	-1.0	-42.70	357.58	6.86	-35.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020261411	1	43	-1.0	-42.70	357.53	6.85	-35.85
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020261412	0	50	-1.0	-43.58	411.22	9.50	-34.08
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020261412	1	50	-1.0	-43.51	411.26	9.48	-34.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020261413	0	50	-1.0	-39.83	384.49	9.50	-30.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020261413	1	50	-1.0	-39.81	384.54	9.52	-30.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020261414	0	47	-1.0	-43.61	363.04	8.74	-34.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020261414	1	47	-1.0	-43.63	362.99	8.72	-34.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020261415	0	54	-1.0	-40.51	415.98	11.25	-29.26
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020261415	1	54	-1.0	-40.45	415.99	11.24	-29.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020261416	0	41	-1.0	-42.82	345.08	4.70	-38.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020261416	1	41	-1.0	-42.82	345.13	4.71	-38.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020261417	0	38	-1.0	-43.73	311.14	3.98	-39.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020261417	1	38	-1.0	-43.73	311.08	3.95	-39.78
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020261418	0	45	-1.0	-44.55	369.45	6.82	-37.73
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020261418	1	45	-1.0	-44.60	369.47	6.81	-37.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC)C1	REAL300020261419	0	47	-1.0	-41.83	380.69	6.60	-35.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC)C1	REAL300020261419	1	47	-1.0	-41.84	380.75	6.61	-35.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC)C1	REAL300020261420	0	44	-1.0	-43.85	361.89	5.90	-37.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC)C1	REAL300020261420	1	44	-1.0	-43.82	361.83	5.88	-37.94
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OCC)C1	REAL300020261421	0	51	-1.0	-41.97	409.71	8.56	-33.41
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OCC)C1	REAL300020261421	1	51	-1.0	-41.92	409.71	8.55	-33.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020261422	0	47	-1.0	-40.30	404.24	8.41	-31.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020261422	1	47	-1.0	-40.31	404.30	8.42	-31.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020261423	0	44	-1.0	-42.68	382.79	7.65	-35.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020261423	1	44	-1.0	-42.67	382.73	7.62	-35.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020261424	0	50	0.0	-66.56	397.13	8.76	-57.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020261424	1	50	0.0	-66.62	397.19	8.77	-57.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020261425	0	47	0.0	-64.59	375.74	7.99	-56.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020261425	1	47	0.0	-64.57	375.69	7.97	-56.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020261426	0	54	0.0	-71.32	415.94	10.74	-60.58
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020261426	1	54	0.0	-71.27	415.90	10.74	-60.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020261427	0	51	-1.0	-43.25	418.00	9.51	-33.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020261427	1	51	-1.0	-43.25	417.95	9.47	-33.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020261428	0	47	-1.0	-44.64	400.26	7.06	-37.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020261428	1	47	-1.0	-44.65	400.32	7.08	-37.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020261429	0	44	-1.0	-46.03	381.41	6.34	-39.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020261429	1	44	-1.0	-46.04	381.46	6.37	-39.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020261430	0	57	-1.0	-43.27	412.49	9.90	-33.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020261430	1	57	-1.0	-43.24	412.55	9.92	-33.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020261431	0	54	-1.0	-44.24	391.67	9.02	-35.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020261431	1	54	-1.0	-44.24	391.72	9.04	-35.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020261432	0	45	-1.0	-40.06	376.68	6.89	-33.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020261432	1	45	-1.0	-40.10	376.74	6.90	-33.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020261433	0	42	-1.0	-41.21	355.30	6.19	-35.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020261433	1	42	-1.0	-41.25	355.24	6.17	-35.08
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020261434	0	49	-1.0	-42.61	401.09	8.98	-33.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020261434	1	49	-1.0	-42.59	401.13	8.97	-33.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020261435	0	45	-1.0	-46.65	385.69	9.25	-37.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020261435	1	45	-1.0	-46.61	385.75	9.26	-37.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020261436	0	42	-1.0	-56.85	359.93	8.57	-48.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020261436	1	42	-1.0	-57.00	359.88	8.51	-48.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020261437	0	49	-1.0	-43.24	408.10	9.10	-34.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020261437	1	49	-1.0	-43.27	408.16	9.12	-34.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020261438	0	46	-1.0	-43.60	397.90	8.29	-35.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020261438	1	46	-1.0	-43.55	397.83	8.26	-35.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCCO2)CC1	REAL300020261439	0	55	-1.0	-43.20	432.53	7.51	-35.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCCO2)CC1	REAL300020261439	1	55	-1.0	-43.21	432.58	7.53	-35.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCCC2=CC=CC=C2)C1	REAL300020261440	0	54	-1.0	-43.45	439.50	9.89	-33.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCCC2=CC=CC=C2)C1	REAL300020261440	1	54	-1.0	-43.49	439.55	9.92	-33.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020261441	0	51	-1.0	-41.22	411.56	9.15	-32.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020261441	1	51	-1.0	-41.19	411.61	9.16	-32.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020261442	0	48	-1.0	-42.25	384.86	8.48	-33.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020261442	1	48	-1.0	-42.23	384.90	8.50	-33.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020261443	0	49	-1.0	-48.40	409.68	4.91	-43.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020261443	1	49	-1.0	-48.39	409.74	4.93	-43.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020261444	0	46	-1.0	-48.88	383.67	4.41	-44.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020261444	1	46	-1.0	-48.90	383.71	4.44	-44.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020261445	0	42	-1.0	-41.94	371.67	6.32	-35.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020261445	1	42	-1.0	-41.96	371.73	6.34	-35.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020261446	0	39	-1.0	-44.91	349.98	5.55	-39.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020261446	1	39	-1.0	-44.86	349.93	5.53	-39.33
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=NC=CS1	REAL300020261447	0	46	-1.0	-44.62	400.14	8.30	-36.32
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=NC=CS1	REAL300020261447	1	46	-1.0	-44.53	400.19	8.29	-36.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC=C2F)CC1	REAL300020261448	0	51	-1.0	-44.44	412.95	6.94	-37.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC=C2F)CC1	REAL300020261448	1	51	-1.0	-44.45	413.01	6.96	-37.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020261449	0	46	-1.0	-42.07	400.65	9.63	-32.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020261449	1	46	-1.0	-42.04	400.71	9.65	-32.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020261450	0	43	-1.0	-43.27	381.92	8.96	-34.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020261450	1	43	-1.0	-43.21	381.86	8.94	-34.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@H+]2CCCCC2C)CC1	REAL300020261451	0	62	0.0	-65.27	452.33	10.62	-54.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@@H+]2CCCCC2C)CC1	REAL300020261451	1	62	0.0	-67.03	462.88	10.84	-56.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@H+]2CCCCC2C)CC1	REAL300020261451	1	62	0.0	-65.28	452.37	10.63	-54.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@@H+]2CCCCC2C)CC1	REAL300020261451	1	62	0.0	-66.98	462.93	10.86	-56.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OCC)CC1	REAL300020261452	0	52	-1.0	-41.72	417.64	8.73	-32.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OCC)CC1	REAL300020261452	1	52	-1.0	-41.74	417.70	8.74	-33.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OCC)CC1	REAL300020261453	0	49	-1.0	-41.68	396.64	7.96	-33.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OCC)CC1	REAL300020261453	1	49	-1.0	-41.66	396.69	7.99	-33.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020261454	0	53	-1.0	-41.19	430.91	9.10	-32.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020261454	1	53	-1.0	-41.19	430.97	9.12	-32.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020261455	0	50	-1.0	-43.02	412.28	8.47	-34.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020261455	1	50	-1.0	-42.99	412.22	8.44	-34.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020261456	0	44	-1.0	-42.58	370.18	8.80	-33.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020261456	1	44	-1.0	-42.56	370.24	8.82	-33.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020261457	0	41	-1.0	-44.19	348.58	8.34	-35.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020261457	1	41	-1.0	-44.18	348.53	8.33	-35.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020261458	0	45	-1.0	-44.65	384.37	7.64	-37.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020261458	1	45	-1.0	-44.67	384.42	7.66	-37.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(F)C=CC=C2OC)CC1	REAL300020261459	0	50	-1.0	-45.45	411.24	6.41	-39.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(F)C=CC=C2OC)CC1	REAL300020261459	1	50	-1.0	-45.44	411.30	6.43	-39.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020261460	0	48	-1.0	-39.69	377.89	6.49	-33.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020261460	1	48	-1.0	-39.67	377.95	6.51	-33.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020261461	0	45	-1.0	-42.99	356.73	5.76	-37.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020261461	1	45	-1.0	-43.00	356.68	5.73	-37.27
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020261462	0	52	-1.0	-45.07	388.14	7.60	-37.47
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020261462	1	52	-1.0	-45.05	388.17	7.59	-37.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020261463	0	55	-1.0	-41.09	426.82	5.31	-35.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020261463	1	55	-1.0	-41.11	426.88	5.32	-35.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020261463	1	56	0.0	-65.07	429.40	7.47	-57.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020261463	1	56	0.0	-65.23	431.38	7.54	-57.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020261464	0	52	-1.0	-42.39	408.04	4.61	-37.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020261464	1	52	-1.0	-42.42	408.10	4.63	-37.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020261464	1	53	0.0	-63.99	405.49	6.82	-57.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020261464	1	53	0.0	-64.85	409.88	6.75	-58.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020261465	0	53	-1.0	-40.94	403.84	4.68	-36.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020261465	1	53	-1.0	-40.95	403.89	4.70	-36.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020261465	1	54	0.0	-63.31	405.29	7.00	-56.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020261466	0	50	-1.0	-45.08	376.09	4.73	-40.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020261466	1	50	-1.0	-45.09	376.15	4.76	-40.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020261466	1	51	0.0	-65.00	386.88	6.34	-58.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020261467	0	58	0.0	-63.69	430.52	6.61	-57.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020261467	1	58	0.0	-63.72	430.57	6.64	-57.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(C)C)C1	REAL300020261468	0	47	-1.0	-39.41	378.99	8.26	-31.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020261468	1	47	-1.0	-39.37	379.05	8.28	-31.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020261469	0	44	-1.0	-39.96	362.10	7.44	-32.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(C)C)C1	REAL300020261469	1	44	-1.0	-39.93	362.05	7.42	-32.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C(C)C)C1	REAL300020261470	0	51	-1.0	-40.29	406.18	10.34	-29.95
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C(C)C)C1	REAL300020261470	1	51	-1.0	-40.32	406.17	10.34	-29.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020261471	0	50	-1.0	-47.26	407.10	8.23	-39.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020261471	1	50	-1.0	-47.19	407.04	8.22	-38.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020261472	0	47	-1.0	-49.65	385.60	7.46	-42.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020261472	1	47	-1.0	-49.64	385.54	7.43	-42.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(CC)C1	REAL300020261473	0	56	-1.0	-38.95	433.38	11.43	-27.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(CC)C1	REAL300020261473	1	56	-1.0	-38.95	433.43	11.44	-27.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(CC)C1	REAL300020261474	0	53	-1.0	-43.05	398.10	10.17	-32.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(CC)C1	REAL300020261474	1	53	-1.0	-43.08	398.16	10.19	-32.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020261475	0	48	-1.0	-41.17	392.72	6.07	-35.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020261475	1	48	-1.0	-41.21	392.78	6.08	-35.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020261476	0	45	-1.0	-42.85	373.65	5.34	-37.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020261476	1	45	-1.0	-42.83	373.71	5.35	-37.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020261477	0	48	-1.0	-46.91	397.88	4.05	-42.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020261477	1	48	-1.0	-46.95	397.94	4.07	-42.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020261478	0	45	-1.0	-48.05	374.75	3.18	-44.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020261478	1	45	-1.0	-48.08	374.79	3.21	-44.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020261479	0	43	-1.0	-44.78	358.79	6.52	-38.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020261479	1	43	-1.0	-44.79	358.84	6.53	-38.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020261480	0	40	-1.0	-46.45	333.01	5.82	-40.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020261480	1	40	-1.0	-46.48	332.97	5.80	-40.68
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020261481	0	47	-1.0	-46.45	387.36	8.50	-37.95
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020261481	1	47	-1.0	-46.44	387.39	8.49	-37.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020261482	0	51	-1.0	-39.47	394.11	8.06	-31.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020261482	1	51	-1.0	-39.46	394.17	8.07	-31.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020261483	0	48	-1.0	-43.12	373.65	7.28	-35.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020261483	1	48	-1.0	-43.13	373.70	7.32	-35.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020261484	0	51	-1.0	-42.41	420.79	10.78	-31.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020261484	1	51	-1.0	-42.40	420.85	10.80	-31.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020261485	0	48	-1.0	-43.47	399.50	9.99	-33.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020261485	1	48	-1.0	-43.47	399.55	10.02	-33.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020261486	0	53	-1.0	-41.81	431.48	11.16	-30.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020261486	1	53	-1.0	-41.80	431.53	11.17	-30.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020261487	0	50	-1.0	-44.23	408.37	10.28	-33.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020261487	1	50	-1.0	-44.24	408.42	10.31	-33.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020261488	0	41	-1.0	-39.42	323.78	4.46	-34.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020261488	1	41	-1.0	-39.44	323.83	4.48	-34.96
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020261489	0	45	-1.0	-41.78	352.02	6.45	-35.33
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020261489	1	45	-1.0	-41.74	352.04	6.44	-35.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020261490	0	54	-1.0	-42.04	430.22	7.38	-34.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020261490	1	54	-1.0	-42.03	430.28	7.40	-34.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020261491	0	51	-1.0	-44.58	410.22	6.63	-37.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020261491	1	51	-1.0	-44.56	410.28	6.64	-37.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020261492	0	50	-1.0	-45.11	408.58	8.26	-36.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020261492	1	50	-1.0	-45.12	408.62	8.29	-36.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020261493	0	50	-1.0	-49.86	412.41	8.20	-41.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020261493	1	50	-1.0	-49.81	412.35	8.17	-41.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020261494	0	42	-1.0	-40.57	368.69	6.19	-34.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020261494	1	42	-1.0	-40.56	368.75	6.21	-34.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020261495	0	39	-1.0	-44.34	338.79	5.68	-38.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020261495	1	39	-1.0	-44.29	338.73	5.65	-38.64
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020261496	0	46	-1.0	-42.69	393.97	8.37	-34.32
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020261496	1	46	-1.0	-42.61	394.01	8.36	-34.25
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020261497	0	44	-1.0	-41.33	358.27	9.05	-32.28
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020261497	1	44	-1.0	-41.31	358.29	9.03	-32.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020261498	0	50	-1.0	-40.70	417.43	8.74	-31.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020261498	1	50	-1.0	-40.66	417.49	8.75	-31.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020261499	0	47	-1.0	-43.36	394.80	7.97	-35.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020261499	1	47	-1.0	-43.39	394.86	7.99	-35.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N2CCC(C)CC2)CC1	REAL300020261500	0	57	-1.0	-44.14	441.08	8.68	-35.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N2CCC(C)CC2)CC1	REAL300020261500	1	57	-1.0	-44.13	441.13	8.70	-35.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)CCCC)CC1	REAL300020261501	0	56	-1.0	-44.64	438.27	8.59	-36.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)CCCC)CC1	REAL300020261501	1	56	-1.0	-44.63	438.32	8.60	-36.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020261502	0	43	-1.0	-40.49	372.04	8.43	-32.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020261502	1	43	-1.0	-40.58	372.09	8.45	-32.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020261503	0	40	-1.0	-42.66	350.60	7.67	-34.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020261503	1	40	-1.0	-42.63	350.54	7.65	-34.98
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020261504	0	47	-1.0	-42.82	387.50	10.34	-32.48
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020261504	1	47	-1.0	-42.85	387.54	10.33	-32.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020261505	0	53	-1.0	-41.13	437.88	9.30	-31.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020261505	1	53	-1.0	-41.11	437.94	9.31	-31.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020261506	0	50	-1.0	-42.58	412.14	8.59	-33.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020261506	1	50	-1.0	-42.60	412.19	8.62	-33.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC(Cl)=C1	REAL300020261507	0	47	-1.0	-42.93	411.83	8.52	-34.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC(Cl)=C1	REAL300020261507	1	47	-1.0	-42.90	411.90	8.55	-34.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020261508	0	53	-1.0	-40.62	436.93	9.56	-31.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020261508	1	53	-1.0	-40.60	436.98	9.57	-31.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020261509	0	50	-1.0	-42.47	411.18	8.85	-33.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020261509	1	50	-1.0	-42.47	411.23	8.88	-33.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=C(Cl)C=C1	REAL300020261510	0	47	-1.0	-42.67	411.83	8.52	-34.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=C(Cl)C=C1	REAL300020261510	1	47	-1.0	-42.64	411.90	8.55	-34.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=C(C)OC(C)=C2)CC1	REAL300020261511	0	51	-1.0	-47.63	420.90	7.21	-40.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=C(C)OC(C)=C2)CC1	REAL300020261511	1	51	-1.0	-47.60	420.95	7.24	-40.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020261512	0	58	0.0	-65.58	435.57	9.76	-55.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020261512	1	58	0.0	-70.85	425.82	9.68	-61.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020261512	1	58	0.0	-65.58	435.63	9.78	-55.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020261512	1	58	0.0	-70.87	425.88	9.70	-61.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020261513	0	55	0.0	-67.16	412.78	9.36	-57.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020261513	1	55	0.0	-67.01	417.37	9.08	-57.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020261513	1	55	0.0	-67.17	412.83	9.36	-57.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020261513	1	55	0.0	-67.02	417.42	9.10	-57.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020261514	0	48	-1.0	-46.27	408.42	7.21	-39.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020261514	1	48	-1.0	-46.25	408.47	7.22	-39.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020261515	0	45	-1.0	-48.18	387.21	6.43	-41.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020261515	1	45	-1.0	-48.19	387.26	6.46	-41.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(C)C	REAL300020261516	0	45	-1.0	-40.23	363.07	7.37	-32.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(C)C	REAL300020261516	1	45	-1.0	-40.20	363.13	7.39	-32.81
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(C)C	REAL300020261517	0	49	-1.0	-41.34	394.51	9.44	-31.90
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(C)C	REAL300020261517	1	49	-1.0	-41.34	394.55	9.43	-31.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020261518	0	43	-1.0	-44.64	356.85	6.70	-37.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020261518	1	43	-1.0	-44.64	356.91	6.71	-37.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020261519	0	40	-1.0	-44.80	335.41	5.94	-38.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020261519	1	40	-1.0	-44.76	335.35	5.91	-38.85
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020261520	0	47	-1.0	-46.35	385.77	8.65	-37.70
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020261520	1	47	-1.0	-46.32	385.83	8.65	-37.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCC2=CC=CC=C2)CC1	REAL300020261521	0	54	-1.0	-41.91	438.73	10.01	-31.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCC2=CC=CC=C2)CC1	REAL300020261521	1	54	-1.0	-41.98	438.78	10.03	-31.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020261522	0	45	-1.0	-42.83	375.33	5.37	-37.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020261522	1	45	-1.0	-42.79	375.39	5.38	-37.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020261523	0	42	-1.0	-45.24	355.44	4.65	-40.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020261523	1	42	-1.0	-45.22	355.39	4.61	-40.61
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020261524	0	49	-1.0	-45.09	403.20	7.31	-37.78
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020261524	1	49	-1.0	-45.12	403.19	7.29	-37.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020261525	0	45	-1.0	-40.17	349.58	7.84	-32.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020261525	1	45	-1.0	-40.15	349.64	7.85	-32.30
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020261526	0	49	-1.0	-42.58	384.27	8.76	-33.82
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020261526	1	49	-1.0	-42.50	384.32	8.75	-33.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020261527	0	58	0.0	-66.04	440.82	9.58	-56.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020261527	1	58	0.0	-66.01	440.88	9.59	-56.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020261528	0	55	0.0	-63.65	417.10	8.90	-54.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020261528	1	55	0.0	-63.63	417.14	8.93	-54.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(Br)=C1	REAL300020261529	0	37	-1.0	-40.99	354.94	7.34	-33.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(Br)=C1	REAL300020261529	1	37	-1.0	-40.99	355.00	7.36	-33.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020261530	0	50	-1.0	-43.20	407.78	7.92	-35.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020261530	1	50	-1.0	-43.20	407.84	7.94	-35.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020261531	0	47	-1.0	-46.09	386.32	7.17	-38.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020261531	1	47	-1.0	-46.06	386.26	7.14	-38.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCCOC)C1	REAL300020261532	0	51	-1.0	-44.20	413.34	5.81	-38.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCCOC)C1	REAL300020261532	1	51	-1.0	-44.25	413.40	5.83	-38.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCOC)C1	REAL300020261533	0	48	-1.0	-45.48	394.85	5.35	-40.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCOC)C1	REAL300020261533	1	48	-1.0	-45.48	394.91	5.38	-40.10
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020261534	0	44	-1.0	-41.33	358.27	9.05	-32.28
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020261534	1	44	-1.0	-41.31	358.29	9.03	-32.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C(C)SCC)=NO1	REAL300020261535	0	48	-1.0	-42.21	420.47	5.79	-36.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C(C)SCC)=NO1	REAL300020261535	1	48	-1.0	-42.24	420.53	5.81	-36.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020261536	0	53	-1.0	-41.78	414.05	10.19	-31.59
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020261536	1	53	-1.0	-41.81	414.11	10.21	-31.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020261537	0	50	-1.0	-43.15	385.89	9.41	-33.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020261537	1	50	-1.0	-43.09	385.85	9.39	-33.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020261538	0	45	-1.0	-40.15	388.44	7.75	-32.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020261538	1	45	-1.0	-40.12	388.50	7.76	-32.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020261539	0	42	-1.0	-42.25	364.65	7.06	-35.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020261539	1	42	-1.0	-42.25	364.69	7.07	-35.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020261540	0	57	0.0	-62.67	434.37	10.25	-52.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020261540	1	57	0.0	-66.78	410.76	9.02	-57.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020261540	1	57	0.0	-62.65	434.42	10.27	-52.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020261540	1	57	0.0	-66.75	410.82	9.03	-57.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020261541	0	54	0.0	-62.67	403.93	9.13	-53.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020261541	1	54	0.0	-66.99	389.27	8.23	-58.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020261541	1	54	0.0	-62.69	403.98	9.15	-53.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020261541	1	54	0.0	-67.08	389.33	8.26	-58.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020261542	0	43	-1.0	-38.88	358.58	7.75	-31.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020261542	1	43	-1.0	-38.90	358.63	7.77	-31.13
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020261543	0	47	-1.0	-42.58	380.98	9.88	-32.70
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020261543	1	47	-1.0	-42.51	381.03	9.87	-32.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020261544	0	51	-1.0	-42.46	411.45	6.22	-36.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020261544	1	51	-1.0	-42.47	411.50	6.23	-36.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020261545	0	48	-1.0	-43.38	392.35	5.49	-37.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020261545	1	48	-1.0	-43.43	392.41	5.52	-37.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC	REAL300020261546	0	43	-1.0	-40.44	357.68	5.16	-35.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC	REAL300020261546	1	43	-1.0	-40.43	357.73	5.17	-35.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCOC	REAL300020261547	0	47	-1.0	-41.77	389.11	7.23	-34.54
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCOC	REAL300020261547	1	47	-1.0	-41.78	389.16	7.22	-34.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020261548	0	50	-1.0	-46.24	395.39	6.95	-39.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020261548	1	50	-1.0	-46.27	395.45	6.96	-39.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020261549	0	47	-1.0	-48.14	376.24	6.38	-41.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020261549	1	47	-1.0	-48.16	376.29	6.39	-41.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020261550	0	44	-1.0	-37.74	367.31	7.71	-30.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020261550	1	44	-1.0	-37.76	367.37	7.73	-30.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020261551	0	41	-1.0	-40.06	349.05	7.03	-33.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020261551	1	41	-1.0	-40.04	348.99	7.01	-33.03
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)SC(C)C1	REAL300020261552	0	48	-1.0	-40.06	396.20	9.71	-30.35
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)SC(C)C1	REAL300020261552	1	48	-1.0	-40.04	396.25	9.70	-30.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020261553	0	62	0.0	-64.63	464.53	11.29	-53.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020261553	1	62	0.0	-64.64	464.59	11.31	-53.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020261554	0	59	0.0	-58.76	444.92	10.32	-48.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020261554	1	59	0.0	-58.81	444.97	10.34	-48.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020261555	0	62	0.0	-59.47	460.36	11.17	-48.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020261555	1	62	0.0	-64.55	455.73	10.92	-53.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020261555	1	62	0.0	-59.41	460.42	11.18	-48.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020261555	1	62	0.0	-64.55	455.79	10.93	-53.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020261556	0	59	0.0	-61.47	440.25	10.41	-51.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020261556	1	59	0.0	-69.49	431.44	9.93	-59.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020261556	1	59	0.0	-61.47	440.31	10.43	-51.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020261556	1	59	0.0	-69.49	431.50	9.95	-59.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020261557	0	41	-1.0	-41.74	343.59	5.09	-36.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020261557	1	41	-1.0	-41.73	343.65	5.11	-36.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020261558	0	38	-1.0	-44.46	322.15	4.33	-40.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020261558	1	38	-1.0	-44.48	322.09	4.31	-40.17
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020261559	0	45	-1.0	-44.38	377.62	6.69	-37.69
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020261559	1	45	-1.0	-44.36	377.75	6.68	-37.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2F)CC1	REAL300020261560	0	47	-1.0	-45.64	406.72	7.55	-38.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2F)CC1	REAL300020261560	1	47	-1.0	-45.69	406.78	7.57	-38.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020261561	0	50	0.0	-62.25	387.42	8.19	-54.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020261561	1	50	0.0	-62.33	386.87	8.40	-53.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020261561	1	50	0.0	-62.28	387.48	8.21	-54.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020261561	1	50	0.0	-62.38	386.92	8.41	-53.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020261562	0	47	0.0	-63.11	347.79	7.09	-56.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020261562	1	47	0.0	-59.20	363.84	7.55	-51.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020261562	1	47	0.0	-63.09	347.74	7.07	-56.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020261562	1	47	0.0	-59.16	363.80	7.52	-51.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2CCCCC2C1	REAL300020261562	1	46	-1.0	-40.95	345.02	4.83	-36.12
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020261563	0	54	0.0	-68.39	410.52	10.34	-58.05
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020261563	1	54	0.0	-68.32	417.76	10.23	-58.09
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020261563	1	54	0.0	-68.40	410.61	10.32	-58.08
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020261563	1	54	0.0	-68.30	417.82	10.21	-58.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020261564	0	50	-1.0	-41.56	411.99	8.93	-32.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020261564	1	50	-1.0	-41.57	412.05	8.95	-32.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020261565	0	47	-1.0	-43.12	401.51	8.07	-35.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020261565	1	47	-1.0	-43.08	401.58	8.10	-34.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020261566	0	56	-1.0	-38.12	442.38	8.75	-29.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020261566	1	56	-1.0	-38.11	442.43	8.77	-29.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020261567	0	53	-1.0	-40.01	418.58	8.09	-31.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020261567	1	53	-1.0	-39.98	418.63	8.11	-31.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=C(C)C=CC=C2C)CC1	REAL300020261568	0	54	-1.0	-41.55	429.52	9.90	-31.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=C(C)C=CC=C2C)CC1	REAL300020261568	1	54	-1.0	-41.61	429.57	9.93	-31.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020261569	0	46	-1.0	-39.29	403.40	9.38	-29.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020261569	1	46	-1.0	-39.31	403.46	9.40	-29.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020261570	0	43	-1.0	-41.61	381.77	8.59	-33.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020261570	1	43	-1.0	-41.60	381.83	8.61	-32.99
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C	REAL300020261571	0	46	-1.0	-42.42	370.61	9.28	-33.14
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C	REAL300020261571	1	46	-1.0	-42.39	370.65	9.27	-33.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020261572	0	54	-1.0	-41.00	429.97	9.49	-31.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020261572	1	54	-1.0	-41.01	430.03	9.50	-31.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020261573	0	51	-1.0	-42.82	410.14	8.73	-34.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020261573	1	51	-1.0	-42.84	410.19	8.76	-34.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020261574	0	46	-1.0	-42.93	381.65	8.65	-34.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020261574	1	46	-1.0	-42.94	381.59	8.63	-34.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020261575	0	43	-1.0	-43.57	357.91	7.98	-35.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020261575	1	43	-1.0	-43.59	357.86	7.96	-35.63
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC	REAL300020261576	0	43	-1.0	-41.54	346.87	8.27	-33.27
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC	REAL300020261576	1	43	-1.0	-41.53	346.90	8.25	-33.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020261577	0	52	-1.0	-41.93	429.37	11.33	-30.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020261577	1	52	-1.0	-42.00	429.43	11.34	-30.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020261578	0	49	-1.0	-46.00	407.85	10.59	-35.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020261578	1	49	-1.0	-45.97	407.79	10.57	-35.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020261579	0	46	-1.0	-38.68	370.58	8.16	-30.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020261579	1	46	-1.0	-38.72	370.64	8.17	-30.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020261580	0	43	-1.0	-42.60	349.07	7.42	-35.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020261580	1	43	-1.0	-42.58	349.01	7.39	-35.19
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCC1	REAL300020261581	0	50	-1.0	-42.18	393.60	10.22	-31.96
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCC1	REAL300020261581	1	50	-1.0	-42.15	393.64	10.21	-31.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020261582	0	45	-1.0	-51.72	399.63	6.19	-45.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020261582	1	45	-1.0	-51.73	399.69	6.20	-45.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020261583	0	42	-1.0	-51.19	378.19	5.43	-45.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020261583	1	42	-1.0	-51.21	378.14	5.40	-45.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC(C)=N2)CC1	REAL300020261584	0	48	-1.0	-45.18	407.97	4.83	-40.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC(C)=N2)CC1	REAL300020261584	1	48	-1.0	-45.17	408.03	4.85	-40.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCOCC2)CC1	REAL300020261585	0	51	-1.0	-49.32	403.35	4.71	-44.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCOCC2)CC1	REAL300020261585	1	51	-1.0	-49.34	403.40	4.73	-44.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCCC2)CC1	REAL300020261586	0	53	-1.0	-49.06	412.43	7.14	-41.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCCC2)CC1	REAL300020261586	1	53	-1.0	-49.05	412.48	7.17	-41.88
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020261587	0	53	-1.0	-46.14	416.25	6.83	-39.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020261587	1	53	-1.0	-46.16	416.30	6.84	-39.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020261588	0	50	-1.0	-47.36	395.80	6.21	-41.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020261588	1	50	-1.0	-47.37	395.86	6.23	-41.14
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)CC1	REAL300020261589	0	44	-1.0	-41.52	369.19	5.32	-36.20
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)CC1	REAL300020261589	1	44	-1.0	-41.56	369.25	5.33	-36.23
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)CC1	REAL300020261590	0	41	-1.0	-42.52	347.74	4.56	-37.96
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)CC1	REAL300020261590	1	41	-1.0	-42.49	347.68	4.53	-37.96
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)CC1	REAL300020261591	0	48	-1.0	-42.80	397.88	7.31	-35.49
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)CC1	REAL300020261591	1	48	-1.0	-42.74	397.92	7.30	-35.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020261592	0	49	-1.0	-43.86	416.15	7.43	-36.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020261592	1	49	-1.0	-43.84	416.09	7.41	-36.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020261593	0	46	-1.0	-44.99	394.51	6.65	-38.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020261593	1	46	-1.0	-44.99	394.45	6.63	-38.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020261594	0	43	-1.0	-39.62	371.49	8.28	-31.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020261594	1	43	-1.0	-39.63	371.55	8.30	-31.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020261595	0	40	-1.0	-42.36	350.04	7.52	-34.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020261595	1	40	-1.0	-42.36	349.98	7.50	-34.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020261596	0	46	-1.0	-43.11	390.09	10.32	-32.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020261596	1	46	-1.0	-43.10	390.14	10.34	-32.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020261597	0	43	-1.0	-49.50	369.20	9.51	-39.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020261597	1	43	-1.0	-49.47	369.16	9.49	-39.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC(F)(F)F	REAL300020261598	0	44	-1.0	-44.49	389.12	7.46	-37.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC(F)(F)F	REAL300020261598	1	44	-1.0	-44.46	389.17	7.48	-36.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC)C1	REAL300020261599	0	44	-1.0	-39.41	361.72	5.87	-33.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC)C1	REAL300020261599	1	44	-1.0	-39.45	361.78	5.89	-33.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC)C1	REAL300020261600	0	41	-1.0	-41.69	340.32	5.11	-36.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC)C1	REAL300020261600	1	41	-1.0	-41.72	340.26	5.09	-36.63
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CC)C1	REAL300020261601	0	48	-1.0	-41.57	372.46	7.28	-34.29
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CC)C1	REAL300020261601	1	48	-1.0	-41.53	372.49	7.27	-34.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020261602	0	48	-1.0	-41.36	397.49	8.27	-33.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020261602	1	48	-1.0	-41.36	397.55	8.28	-33.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020261603	0	45	-1.0	-43.39	377.50	7.59	-35.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020261603	1	45	-1.0	-43.38	377.45	7.57	-35.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020261604	0	49	-1.0	-38.51	388.35	8.99	-29.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020261604	1	49	-1.0	-38.52	388.40	9.01	-29.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020261605	0	46	-1.0	-42.32	366.83	8.25	-34.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020261605	1	46	-1.0	-42.31	366.77	8.23	-34.08
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCCC1	REAL300020261606	0	53	-1.0	-41.89	411.38	11.06	-30.83
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCCC1	REAL300020261606	1	53	-1.0	-41.86	411.43	11.05	-30.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020261607	0	56	0.0	-64.43	422.33	9.54	-54.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020261607	1	56	0.0	-64.43	422.39	9.55	-54.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020261608	0	53	0.0	-63.30	398.59	8.87	-54.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020261608	1	53	0.0	-63.34	398.64	8.89	-54.45
C#CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020261609	0	39	-1.0	-41.19	341.36	7.94	-33.25
C#CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020261609	1	39	-1.0	-41.19	341.40	7.93	-33.26
C=CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020261610	0	41	-1.0	-41.41	347.21	7.98	-33.43
C=CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020261610	1	41	-1.0	-41.37	347.26	7.97	-33.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020261611	0	51	-1.0	-40.06	413.37	8.21	-31.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020261611	1	51	-1.0	-40.06	413.43	8.22	-31.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020261612	0	48	-1.0	-44.65	388.30	7.61	-37.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020261612	1	48	-1.0	-44.67	388.35	7.64	-37.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)C(=O)C1	REAL300020261613	0	48	-1.0	-44.06	397.72	7.98	-36.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)C(=O)C1	REAL300020261613	1	48	-1.0	-44.10	397.78	8.00	-36.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020261614	0	44	-1.0	-39.69	349.23	7.64	-32.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020261614	1	44	-1.0	-39.73	349.29	7.65	-32.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020261615	0	41	-1.0	-42.50	322.71	7.00	-35.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020261615	1	41	-1.0	-42.50	322.66	6.98	-35.52
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020261616	0	48	-1.0	-42.69	373.90	9.45	-33.24
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020261616	1	48	-1.0	-42.69	373.94	9.44	-33.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020261617	0	53	-1.0	-40.52	416.02	5.09	-35.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020261617	1	53	-1.0	-40.58	416.07	5.10	-35.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020261617	1	54	0.0	-70.54	411.01	7.24	-63.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020261618	0	50	-1.0	-42.51	392.69	4.42	-38.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020261618	1	50	-1.0	-42.55	392.74	4.44	-38.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020261618	1	51	0.0	-69.21	387.73	6.76	-62.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020261619	0	53	-1.0	-39.12	415.46	10.72	-28.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020261619	1	53	-1.0	-39.17	415.51	10.74	-28.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020261620	0	50	-1.0	-42.23	394.35	9.97	-32.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020261620	1	50	-1.0	-42.25	394.30	9.95	-32.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020261621	0	55	-1.0	-40.84	428.72	10.39	-30.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020261621	1	55	-1.0	-40.82	428.78	10.41	-30.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020261622	0	52	-1.0	-43.21	408.56	10.14	-33.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020261622	1	52	-1.0	-43.24	408.51	10.12	-33.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020261623	0	49	-1.0	-38.48	383.50	8.41	-30.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020261623	1	49	-1.0	-38.49	383.55	8.42	-30.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020261624	0	46	-1.0	-40.65	359.81	7.76	-32.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020261624	1	46	-1.0	-40.65	359.76	7.74	-32.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)C)CC1	REAL300020261625	0	53	-1.0	-41.59	411.90	10.60	-30.99
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)C)CC1	REAL300020261625	1	53	-1.0	-41.61	411.93	10.59	-31.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020261626	0	44	-1.0	-39.94	375.65	6.37	-33.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020261626	1	44	-1.0	-39.94	375.71	6.39	-33.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020261627	0	41	-1.0	-40.37	349.49	5.86	-34.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020261627	1	41	-1.0	-40.36	349.54	5.89	-34.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020261628	0	56	0.0	-62.71	417.07	9.44	-53.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020261628	1	56	0.0	-62.77	417.12	9.45	-53.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020261629	0	53	0.0	-59.78	392.98	8.84	-50.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020261629	1	53	0.0	-59.82	393.03	8.86	-50.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OCC)C1	REAL300020261630	0	55	-1.0	-44.44	443.78	9.63	-34.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OCC)C1	REAL300020261630	1	55	-1.0	-44.44	443.83	9.64	-34.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OCC)C1	REAL300020261631	0	52	-1.0	-48.49	423.88	8.88	-39.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OCC)C1	REAL300020261631	1	52	-1.0	-48.52	423.94	8.90	-39.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020261632	0	49	-1.0	-48.99	403.48	7.16	-41.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020261632	1	49	-1.0	-48.99	403.43	7.15	-41.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020261633	0	46	-1.0	-48.67	374.94	6.57	-42.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020261633	1	46	-1.0	-48.65	374.89	6.56	-42.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020261634	0	48	-1.0	-43.98	390.55	6.13	-37.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020261634	1	48	-1.0	-43.93	390.61	6.15	-37.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020261635	0	45	-1.0	-45.99	364.77	5.44	-40.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020261635	1	45	-1.0	-45.95	364.71	5.43	-40.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020261636	0	50	-1.0	-46.08	409.25	6.77	-39.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020261636	1	50	-1.0	-46.14	409.31	6.79	-39.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020261637	0	47	-1.0	-48.26	385.11	5.94	-42.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020261637	1	47	-1.0	-48.25	385.17	5.96	-42.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)C1	REAL300020261638	0	48	-1.0	-44.16	391.72	5.33	-38.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)C1	REAL300020261638	1	48	-1.0	-44.15	391.77	5.35	-38.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)C1	REAL300020261639	0	45	-1.0	-44.98	370.22	4.55	-40.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)C1	REAL300020261639	1	45	-1.0	-44.97	370.27	4.57	-40.40
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCCOC)C1	REAL300020261640	0	52	-1.0	-45.60	420.64	7.29	-38.31
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCCOC)C1	REAL300020261640	1	52	-1.0	-45.59	420.69	7.28	-38.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020261641	0	43	-1.0	-39.93	366.15	7.62	-32.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020261641	1	43	-1.0	-39.87	366.21	7.64	-32.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020261642	0	40	-1.0	-42.39	344.86	6.84	-35.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020261642	1	40	-1.0	-42.35	344.91	6.86	-35.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020261643	0	48	-1.0	-51.39	380.78	6.76	-44.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020261643	1	48	-1.0	-51.32	380.83	6.77	-44.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020261644	0	45	-1.0	-47.74	357.60	6.27	-41.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020261644	1	45	-1.0	-47.74	357.55	6.25	-41.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020261645	0	49	-1.0	-43.07	418.33	8.65	-34.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020261645	1	49	-1.0	-43.06	418.39	8.67	-34.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020261646	0	46	-1.0	-43.99	398.56	7.94	-36.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020261646	1	46	-1.0	-43.97	398.50	7.92	-36.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020261647	0	48	-1.0	-40.12	381.94	5.42	-34.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020261647	1	48	-1.0	-40.14	382.00	5.44	-34.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020261648	0	45	-1.0	-43.47	368.48	5.33	-38.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020261648	1	45	-1.0	-43.48	368.55	5.36	-38.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020261649	0	40	-1.0	-44.76	329.97	6.73	-38.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020261649	1	40	-1.0	-44.76	330.03	6.75	-38.01
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020261650	0	44	-1.0	-46.09	358.78	8.69	-37.40
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020261650	1	44	-1.0	-46.12	358.78	8.69	-37.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020261651	0	48	-1.0	-48.55	389.94	4.62	-43.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020261651	1	48	-1.0	-48.53	390.00	4.64	-43.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020261652	0	45	-1.0	-43.30	364.14	4.16	-39.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020261652	1	45	-1.0	-43.32	364.08	4.13	-39.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020261653	0	54	-1.0	-42.31	422.91	7.99	-34.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020261653	1	54	-1.0	-42.35	422.97	8.00	-34.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020261654	0	51	-1.0	-45.19	401.11	7.17	-38.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020261654	1	51	-1.0	-45.22	401.16	7.20	-38.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020261655	0	50	-1.0	-42.07	366.74	8.08	-33.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020261655	1	50	-1.0	-42.04	366.80	8.10	-33.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020261656	0	47	-1.0	-45.05	344.76	7.51	-37.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020261656	1	47	-1.0	-45.04	344.70	7.50	-37.54
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020261657	0	54	-1.0	-43.41	399.05	10.19	-33.22
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020261657	1	54	-1.0	-43.35	399.08	10.19	-33.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)C1	REAL300020261658	0	47	-1.0	-39.72	374.12	6.17	-33.55
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)C1	REAL300020261658	1	47	-1.0	-39.67	374.18	6.19	-33.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)C1	REAL300020261659	0	44	-1.0	-42.82	352.89	5.43	-37.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)C1	REAL300020261659	1	44	-1.0	-42.83	352.84	5.40	-37.43
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(OC)C1	REAL300020261660	0	51	-1.0	-46.50	386.24	7.63	-38.87
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(OC)C1	REAL300020261660	1	51	-1.0	-46.46	386.28	7.62	-38.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020261661	0	55	-1.0	-44.93	429.32	8.68	-36.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020261661	1	55	-1.0	-44.94	429.37	8.70	-36.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020261662	0	52	-1.0	-47.76	406.20	8.06	-39.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020261662	1	52	-1.0	-47.79	406.26	8.09	-39.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020261663	0	48	-1.0	-46.12	379.63	3.32	-42.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020261663	1	48	-1.0	-46.13	379.69	3.34	-42.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020261664	0	45	-1.0	-51.00	372.16	3.05	-47.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020261664	1	45	-1.0	-51.01	372.22	3.08	-47.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020261665	0	47	-1.0	-40.62	403.79	7.87	-32.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020261665	1	47	-1.0	-40.61	403.73	7.85	-32.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020261666	0	44	-1.0	-42.31	380.01	7.20	-35.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020261666	1	44	-1.0	-42.28	379.97	7.19	-35.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OCC(=O)OC)C=C1	REAL300020261667	0	50	-1.0	-47.10	428.90	8.52	-38.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OCC(=O)OC)C=C1	REAL300020261667	1	50	-1.0	-47.10	428.96	8.55	-38.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020261668	0	51	-1.0	-40.46	401.93	7.29	-33.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020261668	1	51	-1.0	-40.43	401.99	7.31	-33.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020261669	0	48	-1.0	-42.55	378.20	6.62	-35.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020261669	1	48	-1.0	-42.59	378.24	6.65	-35.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)(C(C)C)C1	REAL300020261670	0	55	-1.0	-41.56	423.39	8.83	-32.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)(C(C)C)C1	REAL300020261670	1	55	-1.0	-41.59	423.44	8.85	-32.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)(C(C)C)C1	REAL300020261671	0	52	-1.0	-44.81	401.88	8.05	-36.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)(C(C)C)C1	REAL300020261671	1	52	-1.0	-44.78	401.94	8.07	-36.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CC2=CC=CC=C2)CC1	REAL300020261672	0	54	-1.0	-46.10	415.85	7.61	-38.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CC2=CC=CC=C2)CC1	REAL300020261672	1	54	-1.0	-46.12	415.90	7.64	-38.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2)CC1	REAL300020261673	0	51	-1.0	-48.88	423.17	8.54	-40.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2)CC1	REAL300020261673	1	51	-1.0	-48.85	423.22	8.57	-40.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(CC(C)C)CC2C1	REAL300020261674	0	53	-1.0	-48.05	423.71	7.48	-40.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(CC(C)C)CC2C1	REAL300020261674	1	53	-1.0	-48.01	423.77	7.50	-40.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020261675	0	47	-1.0	-45.76	384.93	6.06	-39.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020261675	1	47	-1.0	-45.77	384.98	6.08	-39.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020261676	0	44	-1.0	-46.52	363.49	5.31	-41.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020261676	1	44	-1.0	-46.52	363.43	5.28	-41.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020261677	0	51	-1.0	-43.57	375.04	6.77	-36.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020261677	1	51	-1.0	-43.58	375.10	6.79	-36.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020261678	0	48	-1.0	-46.48	353.50	5.98	-40.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020261678	1	48	-1.0	-46.49	353.56	6.00	-40.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020261679	0	50	-1.0	-39.37	394.05	6.86	-32.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020261679	1	50	-1.0	-39.36	394.11	6.87	-32.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020261680	0	47	-1.0	-41.59	372.61	6.09	-35.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020261680	1	47	-1.0	-41.58	372.56	6.06	-35.52
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020261681	0	54	-1.0	-41.41	415.52	8.96	-32.45
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020261681	1	54	-1.0	-41.46	415.57	8.94	-32.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020261682	0	53	-1.0	-41.60	417.15	10.46	-31.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020261682	1	53	-1.0	-41.65	417.21	10.47	-31.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020261683	0	50	-1.0	-45.77	399.86	9.96	-35.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020261683	1	50	-1.0	-45.79	399.81	9.93	-35.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC(C)=C2)CC1	REAL300020261684	0	54	-1.0	-44.45	432.26	7.71	-36.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC(C)=C2)CC1	REAL300020261684	1	54	-1.0	-44.44	432.31	7.73	-36.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(Cl)=C2)CC1	REAL300020261685	0	50	-1.0	-41.58	410.78	10.01	-31.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(Cl)=C2)CC1	REAL300020261685	1	50	-1.0	-41.58	410.84	10.03	-31.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020261686	0	52	-1.0	-39.51	395.37	8.82	-30.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020261686	1	52	-1.0	-39.50	395.43	8.84	-30.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020261687	0	49	-1.0	-43.96	374.39	8.07	-35.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020261687	1	49	-1.0	-43.95	374.34	8.04	-35.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020261688	0	56	-1.0	-41.11	420.56	10.79	-30.32
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020261688	1	56	-1.0	-41.10	420.53	10.78	-30.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)(C(=O)OCC)C1	REAL300020261689	0	53	-1.0	-47.50	425.44	8.24	-39.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)(C(=O)OCC)C1	REAL300020261689	1	53	-1.0	-47.44	425.49	8.26	-39.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C(C)(C)C	REAL300020261690	0	56	-1.0	-47.71	429.76	9.50	-38.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C(C)(C)C	REAL300020261690	1	56	-1.0	-47.69	429.81	9.52	-38.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)C2=CC=CC=C2)C1	REAL300020261691	0	51	-1.0	-49.08	413.70	8.74	-40.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)C2=CC=CC=C2)C1	REAL300020261691	1	51	-1.0	-49.07	413.75	8.77	-40.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020261692	0	56	-1.0	-39.73	435.41	6.04	-33.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020261692	1	57	0.0	-67.63	436.74	8.33	-59.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020261692	1	56	-1.0	-39.75	435.46	6.06	-33.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020261693	0	53	-1.0	-42.03	411.66	5.38	-36.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020261693	1	54	0.0	-66.86	416.09	7.35	-59.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020261693	1	53	-1.0	-42.02	411.71	5.39	-36.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020261694	0	58	-1.0	-38.35	440.01	9.38	-28.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020261694	1	58	-1.0	-38.33	440.07	9.39	-28.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020261695	0	55	-1.0	-42.35	413.28	8.75	-33.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020261695	1	55	-1.0	-42.35	413.34	8.78	-33.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020261696	0	47	-1.0	-39.91	382.89	9.39	-30.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020261696	1	47	-1.0	-39.98	382.95	9.41	-30.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020261697	0	44	-1.0	-43.84	358.38	8.78	-35.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020261697	1	44	-1.0	-43.85	358.32	8.75	-35.10
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020261698	0	51	-1.0	-43.03	406.89	11.38	-31.65
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020261698	1	51	-1.0	-43.04	406.93	11.38	-31.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020261699	0	41	-1.0	-50.27	340.49	2.67	-47.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020261699	1	41	-1.0	-50.29	340.54	2.68	-47.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020261700	0	38	-1.0	-54.27	313.36	1.74	-52.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020261700	1	38	-1.0	-54.26	313.30	1.71	-52.55
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020261701	0	45	-1.0	-51.80	366.77	4.59	-47.21
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020261701	1	45	-1.0	-51.82	366.80	4.58	-47.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020261702	0	53	-1.0	-41.78	425.03	7.26	-34.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020261702	1	53	-1.0	-41.76	425.09	7.28	-34.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020261703	0	50	-1.0	-44.47	409.03	6.44	-38.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020261703	1	50	-1.0	-44.47	409.08	6.47	-38.00
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1	REAL300020261704	0	41	-1.0	-43.29	327.91	7.86	-35.43
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1	REAL300020261704	1	41	-1.0	-43.30	327.95	7.85	-35.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)C1	REAL300020261705	0	43	-1.0	-39.10	349.57	7.32	-31.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)C1	REAL300020261705	1	43	-1.0	-39.08	349.62	7.33	-31.75
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020261706	0	47	-1.0	-42.08	360.92	8.72	-33.36
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020261706	1	47	-1.0	-42.10	360.95	8.70	-33.40
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1	REAL300020261707	0	42	-1.0	-41.51	346.96	6.18	-35.33
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1	REAL300020261707	1	42	-1.0	-41.53	347.04	6.17	-35.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020261708	0	44	-1.0	-44.58	362.84	5.56	-39.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020261708	1	44	-1.0	-44.57	362.89	5.57	-39.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020261709	0	41	-1.0	-47.89	341.94	4.77	-43.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020261709	1	41	-1.0	-47.89	341.90	4.74	-43.15
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020261710	0	48	-1.0	-46.64	381.69	7.48	-39.16
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020261710	1	48	-1.0	-46.59	381.74	7.47	-39.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020261711	0	49	-1.0	-41.71	400.51	7.61	-34.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020261711	1	49	-1.0	-41.72	400.57	7.62	-34.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020261712	0	46	-1.0	-44.52	385.99	7.14	-37.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020261712	1	46	-1.0	-44.53	386.05	7.17	-37.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020261713	0	53	-1.0	-40.15	425.07	11.09	-29.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020261713	1	53	-1.0	-40.19	425.13	11.11	-29.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020261714	0	50	-1.0	-42.23	401.25	10.42	-31.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020261714	1	50	-1.0	-42.24	401.29	10.44	-31.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020261715	0	46	-1.0	-38.58	364.36	8.13	-30.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020261715	1	46	-1.0	-38.59	364.42	8.15	-30.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020261716	0	43	-1.0	-40.87	340.65	7.48	-33.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020261716	1	43	-1.0	-40.87	340.61	7.47	-33.40
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C)C1	REAL300020261717	0	50	-1.0	-41.25	389.17	9.88	-31.37
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C)C1	REAL300020261717	1	50	-1.0	-41.25	389.21	9.87	-31.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020261718	0	49	-1.0	-40.68	403.21	8.44	-32.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020261718	1	49	-1.0	-40.67	403.27	8.46	-32.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020261719	0	46	-1.0	-41.67	380.09	7.57	-34.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020261719	1	46	-1.0	-41.67	380.13	7.60	-34.07
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC	REAL300020261720	0	46	-1.0	-41.37	376.94	8.94	-32.43
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC	REAL300020261720	1	46	-1.0	-41.33	376.99	8.93	-32.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2OCC)CC1	REAL300020261721	0	53	-1.0	-44.52	430.88	7.37	-37.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2OCC)CC1	REAL300020261721	1	53	-1.0	-44.52	430.94	7.39	-37.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020261722	0	48	-1.0	-42.66	397.16	6.30	-36.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020261722	1	48	-1.0	-42.74	397.22	6.32	-36.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020261723	0	45	-1.0	-44.93	377.20	5.54	-39.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020261723	1	45	-1.0	-44.98	377.26	5.57	-39.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020261724	0	49	-1.0	-41.29	403.76	7.68	-33.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020261724	1	49	-1.0	-41.29	403.81	7.70	-33.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020261725	0	46	-1.0	-42.16	382.25	6.90	-35.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020261725	1	46	-1.0	-42.19	382.31	6.92	-35.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020261726	0	44	-1.0	-43.80	363.20	3.34	-40.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020261726	1	44	-1.0	-43.86	363.26	3.35	-40.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020261727	0	41	-1.0	-47.62	338.76	2.89	-44.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020261727	1	41	-1.0	-47.61	338.72	2.88	-44.73
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020261728	0	48	-1.0	-46.39	388.75	5.53	-40.86
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020261728	1	48	-1.0	-46.35	388.78	5.52	-40.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020261729	0	49	-1.0	-46.13	405.21	8.47	-37.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020261729	1	49	-1.0	-46.12	405.27	8.49	-37.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020261730	0	46	-1.0	-45.46	383.94	7.45	-38.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020261730	1	46	-1.0	-45.49	383.99	7.48	-38.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020261731	0	47	-1.0	-43.97	391.44	7.26	-36.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020261731	1	47	-1.0	-43.99	391.39	7.25	-36.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020261732	0	44	-1.0	-45.50	369.95	6.49	-39.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020261732	1	44	-1.0	-45.51	369.89	6.47	-39.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)CC1	REAL300020261733	0	43	-1.0	-38.85	347.49	7.49	-31.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)CC1	REAL300020261733	1	43	-1.0	-38.86	347.55	7.50	-31.36
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020261734	0	47	-1.0	-41.72	376.58	9.47	-32.25
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020261734	1	47	-1.0	-41.80	376.60	9.46	-32.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020261735	0	48	-1.0	-42.23	395.14	7.05	-35.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020261735	1	48	-1.0	-42.20	395.20	7.06	-35.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020261736	0	45	-1.0	-43.26	372.87	6.44	-36.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020261736	1	45	-1.0	-43.25	372.93	6.47	-36.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020261737	0	55	-1.0	-40.30	438.19	9.55	-30.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020261737	1	55	-1.0	-40.26	438.24	9.56	-30.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020261738	0	52	-1.0	-42.67	410.53	8.89	-33.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020261738	1	52	-1.0	-42.67	410.58	8.91	-33.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020261739	0	45	-1.0	-43.51	390.89	8.02	-35.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020261739	1	45	-1.0	-43.52	390.94	8.03	-35.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020261740	0	44	-1.0	-43.78	375.34	5.76	-38.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020261740	1	44	-1.0	-43.80	375.40	5.78	-38.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020261741	0	41	-1.0	-45.43	353.32	5.21	-40.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020261741	1	41	-1.0	-45.44	353.26	5.19	-40.25
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020261742	0	48	-1.0	-46.74	404.14	7.76	-38.98
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020261742	1	48	-1.0	-46.77	404.18	7.75	-39.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020261743	0	48	-1.0	-45.47	398.56	6.31	-39.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020261743	1	48	-1.0	-45.47	398.61	6.32	-39.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020261744	0	45	-1.0	-48.74	378.39	5.55	-43.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020261744	1	45	-1.0	-48.73	378.46	5.58	-43.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020261745	0	53	0.0	-62.57	402.43	8.93	-53.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020261745	1	53	0.0	-62.56	402.37	8.92	-53.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020261746	0	50	0.0	-62.23	375.60	8.25	-53.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020261746	1	50	0.0	-62.24	375.65	8.27	-53.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020261747	0	49	-1.0	-40.98	407.44	10.50	-30.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020261747	1	49	-1.0	-40.98	407.50	10.52	-30.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020261748	0	46	-1.0	-43.35	389.14	9.88	-33.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020261748	1	46	-1.0	-43.38	389.07	9.85	-33.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020261749	0	56	0.0	-67.19	437.46	10.72	-56.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020261749	1	55	-1.0	-39.94	439.91	8.58	-31.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020261749	1	55	-1.0	-39.97	439.97	8.60	-31.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020261750	0	53	0.0	-65.29	415.21	10.09	-55.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020261750	1	52	-1.0	-42.38	420.17	7.74	-34.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020261750	1	52	-1.0	-42.37	420.22	7.76	-34.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020261751	0	49	-1.0	-43.44	417.39	7.60	-35.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020261751	1	49	-1.0	-43.46	417.44	7.63	-35.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020261752	0	40	-1.0	-37.81	372.11	8.14	-29.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020261752	1	40	-1.0	-37.80	372.16	8.16	-29.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020261753	0	37	-1.0	-39.40	350.67	7.38	-32.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020261753	1	37	-1.0	-39.36	350.61	7.36	-32.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC2=CC=CC=C2)CC1	REAL300020261754	0	53	-1.0	-45.83	431.52	6.90	-38.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC2=CC=CC=C2)CC1	REAL300020261754	1	53	-1.0	-45.83	431.57	6.92	-38.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC2=CC=CC=C2)CC1	REAL300020261754	1	54	0.0	-66.73	429.01	9.26	-57.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)S1	REAL300020261755	0	37	-1.0	-39.43	355.24	7.47	-31.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)S1	REAL300020261755	1	37	-1.0	-39.39	355.31	7.49	-31.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020261756	0	51	-1.0	-41.23	422.42	7.62	-33.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020261756	1	51	-1.0	-41.23	422.48	7.64	-33.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020261757	0	48	-1.0	-43.84	395.37	6.95	-36.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020261757	1	48	-1.0	-43.84	395.43	6.97	-36.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(CC)C2=CC=CC=C2)CC1	REAL300020261758	0	56	0.0	-60.03	426.97	10.54	-49.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(CC)C2=CC=CC=C2)CC1	REAL300020261758	1	56	0.0	-60.05	427.03	10.55	-49.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020261759	0	54	-1.0	-42.30	435.26	9.54	-32.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020261759	1	54	-1.0	-42.33	435.31	9.55	-32.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020261760	0	51	-1.0	-44.84	413.76	8.75	-36.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020261760	1	51	-1.0	-44.85	413.82	8.78	-36.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020261761	0	43	-1.0	-41.62	374.14	8.20	-33.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020261761	1	43	-1.0	-41.61	374.20	8.22	-33.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020261762	0	40	-1.0	-42.80	355.42	7.53	-35.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020261762	1	40	-1.0	-42.79	355.37	7.51	-35.28
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=CC=CS1	REAL300020261763	0	47	-1.0	-43.64	391.33	10.26	-33.38
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=CC=CS1	REAL300020261763	1	47	-1.0	-43.59	391.36	10.26	-33.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020261764	0	56	0.0	-66.33	437.93	10.65	-55.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020261764	1	56	0.0	-67.40	434.88	10.58	-56.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020261764	1	56	0.0	-66.32	437.99	10.67	-55.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020261764	1	56	0.0	-67.40	434.94	10.59	-56.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020261765	0	53	0.0	-65.25	411.36	10.00	-55.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020261765	1	53	0.0	-66.52	410.80	9.98	-56.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020261765	1	53	0.0	-65.31	411.41	10.01	-55.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020261765	1	53	0.0	-66.53	410.84	10.00	-56.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020261766	0	46	-1.0	-51.81	386.08	4.21	-47.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020261766	1	46	-1.0	-51.86	386.14	4.22	-47.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020261767	0	43	-1.0	-57.67	366.79	3.25	-54.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020261767	1	43	-1.0	-57.72	366.85	3.28	-54.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(CC)C=C2)CC1	REAL300020261768	0	55	-1.0	-40.54	440.22	9.06	-31.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(CC)C=C2)CC1	REAL300020261768	1	55	-1.0	-40.56	440.28	9.08	-31.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(CC)C=C2)CC1	REAL300020261769	0	52	-1.0	-41.88	418.71	8.28	-33.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(CC)C=C2)CC1	REAL300020261769	1	52	-1.0	-41.88	418.77	8.31	-33.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020261770	0	48	-1.0	-43.09	399.35	7.11	-35.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020261770	1	48	-1.0	-43.11	399.29	7.10	-36.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020261771	0	45	-1.0	-44.74	377.77	6.34	-38.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020261771	1	45	-1.0	-44.77	377.71	6.30	-38.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020261772	0	47	-1.0	-41.81	387.99	8.02	-33.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020261772	1	47	-1.0	-41.84	388.04	8.03	-33.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020261773	0	44	-1.0	-47.76	364.14	7.73	-40.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020261773	1	44	-1.0	-47.75	364.08	7.71	-40.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=C(C)S2)CC1	REAL300020261774	0	48	-1.0	-43.63	407.06	6.53	-37.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=C(C)S2)CC1	REAL300020261774	1	48	-1.0	-43.61	407.12	6.56	-37.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020261775	0	46	-1.0	-40.48	393.78	8.95	-31.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020261775	1	46	-1.0	-40.51	393.84	8.97	-31.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020261776	0	43	-1.0	-42.30	372.34	8.19	-34.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020261776	1	43	-1.0	-42.29	372.28	8.17	-34.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020261777	0	46	-1.0	-40.16	390.40	6.82	-33.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020261777	1	46	-1.0	-40.15	390.46	6.84	-33.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020261778	0	43	-1.0	-42.71	362.79	6.19	-36.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020261778	1	43	-1.0	-42.70	362.73	6.16	-36.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCCOC	REAL300020261779	0	54	-1.0	-44.05	446.83	4.97	-39.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCCOC	REAL300020261779	1	54	-1.0	-43.99	446.88	4.98	-39.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCCOC	REAL300020261780	0	51	-1.0	-45.62	428.19	4.29	-41.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCCOC	REAL300020261780	1	51	-1.0	-45.66	428.25	4.32	-41.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020261781	0	55	0.0	-64.87	415.69	9.37	-55.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020261781	1	55	0.0	-64.87	415.74	9.39	-55.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020261782	0	52	0.0	-65.31	390.19	8.37	-56.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020261782	1	52	0.0	-65.31	390.24	8.39	-56.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020261783	0	50	-1.0	-42.01	413.40	6.18	-35.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020261783	1	50	-1.0	-42.05	413.46	6.20	-35.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020261784	0	47	-1.0	-43.08	389.52	5.46	-37.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020261784	1	47	-1.0	-43.09	389.57	5.48	-37.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020261785	0	52	-1.0	-40.67	418.82	8.46	-32.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020261785	1	52	-1.0	-40.66	418.87	8.47	-32.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020261786	0	49	-1.0	-44.36	397.13	7.80	-36.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020261786	1	49	-1.0	-44.37	397.07	7.78	-36.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020261787	0	43	-1.0	-38.40	377.19	8.45	-29.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020261787	1	43	-1.0	-38.44	377.25	8.46	-29.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020261788	0	40	-1.0	-41.48	353.74	7.91	-33.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020261788	1	40	-1.0	-41.48	353.68	7.88	-33.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC)C1	REAL300020261789	0	49	-1.0	-38.94	389.43	8.71	-30.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC)C1	REAL300020261789	1	49	-1.0	-38.97	389.49	8.72	-30.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC)C1	REAL300020261790	0	46	-1.0	-42.55	366.35	8.11	-34.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC)C1	REAL300020261790	1	46	-1.0	-42.55	366.30	8.09	-34.46
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CCC)C1	REAL300020261791	0	53	-1.0	-41.41	418.32	10.73	-30.68
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CCC)C1	REAL300020261791	1	53	-1.0	-41.39	418.38	10.72	-30.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020261792	0	53	-1.0	-41.54	439.44	9.17	-32.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020261792	1	53	-1.0	-41.58	439.49	9.19	-32.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020261793	0	50	-1.0	-42.22	416.66	8.57	-33.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020261793	1	50	-1.0	-42.20	416.71	8.59	-33.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020261794	0	51	-1.0	-38.77	412.80	8.44	-30.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020261794	1	51	-1.0	-38.77	412.86	8.45	-30.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020261795	0	48	-1.0	-41.01	388.98	7.77	-33.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020261795	1	48	-1.0	-41.03	389.03	7.78	-33.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020261796	0	43	-1.0	-39.75	375.69	6.89	-32.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020261796	1	43	-1.0	-39.76	375.75	6.90	-32.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020261797	0	40	-1.0	-41.08	354.25	6.13	-34.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020261797	1	40	-1.0	-41.09	354.19	6.10	-34.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020261798	0	51	-1.0	-38.43	399.20	9.80	-28.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020261798	1	51	-1.0	-38.40	399.26	9.82	-28.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020261799	0	48	-1.0	-39.08	376.12	8.94	-30.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020261799	1	48	-1.0	-39.12	376.17	8.96	-30.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020261800	0	57	0.0	-65.59	419.74	10.16	-55.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020261800	1	57	0.0	-65.58	419.79	10.17	-55.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020261801	0	54	0.0	-59.71	392.26	9.82	-49.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020261801	1	54	0.0	-59.77	392.15	9.84	-49.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020261802	0	45	-1.0	-44.19	394.39	8.04	-36.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020261802	1	45	-1.0	-44.20	394.45	8.06	-36.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020261803	0	48	-1.0	-49.03	416.87	6.98	-42.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020261803	1	48	-1.0	-49.00	416.93	6.99	-42.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020261804	0	45	-1.0	-51.19	395.32	6.22	-44.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020261804	1	45	-1.0	-51.20	395.26	6.19	-45.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CSC=C2)CC1	REAL300020261805	0	48	-1.0	-49.31	410.54	6.38	-42.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CSC=C2)CC1	REAL300020261805	1	48	-1.0	-49.38	410.59	6.41	-42.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CS2)CC1	REAL300020261806	0	48	-1.0	-48.07	411.35	6.46	-41.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CS2)CC1	REAL300020261806	1	48	-1.0	-48.09	411.40	6.48	-41.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC2CCCC2)CC1	REAL300020261807	0	57	-1.0	-50.16	444.77	8.10	-42.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC2CCCC2)CC1	REAL300020261807	1	57	-1.0	-50.18	444.83	8.11	-42.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=NOC(C)=C2)CC1	REAL300020261808	0	50	-1.0	-47.11	419.85	5.54	-41.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=NOC(C)=C2)CC1	REAL300020261808	1	50	-1.0	-47.12	419.89	5.57	-41.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC)CC1	REAL300020261809	0	50	-1.0	-43.00	405.96	5.89	-37.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC)CC1	REAL300020261809	1	50	-1.0	-43.00	406.01	5.90	-37.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC)CC1	REAL300020261810	0	47	-1.0	-43.79	382.83	5.01	-38.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC)CC1	REAL300020261810	1	47	-1.0	-43.84	382.87	5.04	-38.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CCCCC2)CC1	REAL300020261811	0	57	-1.0	-43.56	445.13	7.69	-35.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CCCCC2)CC1	REAL300020261811	1	57	-1.0	-43.59	445.18	7.72	-35.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020261812	0	47	-1.0	-46.41	386.30	5.22	-41.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020261812	1	47	-1.0	-46.39	386.36	5.24	-41.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020261813	0	44	-1.0	-48.80	363.50	4.37	-44.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020261813	1	44	-1.0	-48.78	363.45	4.35	-44.43
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020261814	0	51	-1.0	-47.87	407.42	7.04	-40.83
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020261814	1	51	-1.0	-47.83	407.46	7.03	-40.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020261815	0	54	-1.0	-44.89	428.41	5.94	-38.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020261815	1	54	-1.0	-44.89	428.47	5.95	-38.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020261816	0	51	-1.0	-47.07	406.91	5.15	-41.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020261816	1	51	-1.0	-47.10	406.97	5.18	-41.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)C1	REAL300020261817	0	54	-1.0	-49.60	424.59	5.48	-44.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)C1	REAL300020261817	1	54	-1.0	-49.55	424.65	5.50	-44.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020261818	0	40	-1.0	-38.60	355.11	7.48	-31.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020261818	1	40	-1.0	-38.62	355.17	7.49	-31.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020261819	0	37	-1.0	-43.17	331.79	6.89	-36.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020261819	1	37	-1.0	-43.19	331.74	6.86	-36.33
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CS1	REAL300020261820	0	44	-1.0	-42.00	377.50	9.58	-32.42
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CS1	REAL300020261820	1	44	-1.0	-42.03	377.55	9.57	-32.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020261821	0	43	-1.0	-38.83	387.01	8.99	-29.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020261821	1	43	-1.0	-38.84	387.07	9.00	-29.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020261822	0	40	-1.0	-41.60	365.56	8.23	-33.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020261822	1	40	-1.0	-41.61	365.50	8.20	-33.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020261823	0	50	-1.0	-43.93	402.21	6.83	-37.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020261823	1	50	-1.0	-43.95	402.27	6.84	-37.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020261824	0	47	-1.0	-44.48	380.21	5.97	-38.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020261824	1	47	-1.0	-44.51	380.27	5.99	-38.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N2CCOCC2)CC1	REAL300020261825	0	52	-1.0	-44.93	411.30	5.62	-39.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N2CCOCC2)CC1	REAL300020261825	1	52	-1.0	-44.95	411.35	5.66	-39.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020261826	0	49	-1.0	-45.36	396.31	8.20	-37.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020261826	1	49	-1.0	-45.32	396.37	8.22	-37.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020261827	0	46	-1.0	-46.32	373.43	7.31	-39.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020261827	1	46	-1.0	-46.33	373.37	7.28	-39.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020261828	0	51	-1.0	-44.02	407.18	7.53	-36.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020261828	1	51	-1.0	-44.04	407.23	7.54	-36.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020261829	0	48	-1.0	-46.39	383.44	6.86	-39.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020261829	1	48	-1.0	-46.38	383.49	6.88	-39.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC)C1	REAL300020261830	0	44	-1.0	-41.59	361.56	5.72	-35.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC)C1	REAL300020261830	1	44	-1.0	-41.62	361.62	5.73	-35.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC)C1	REAL300020261831	0	41	-1.0	-46.10	337.08	4.97	-41.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC)C1	REAL300020261831	1	41	-1.0	-46.08	337.02	4.95	-41.13
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OC)C1	REAL300020261832	0	48	-1.0	-42.09	387.83	7.59	-34.50
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OC)C1	REAL300020261832	1	48	-1.0	-42.02	387.83	7.58	-34.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC)CC1	REAL300020261833	0	47	-1.0	-39.96	381.21	6.38	-33.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC)CC1	REAL300020261833	1	47	-1.0	-39.95	381.27	6.40	-33.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)CC1	REAL300020261834	0	44	-1.0	-42.46	357.52	5.73	-36.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)CC1	REAL300020261834	1	44	-1.0	-42.43	357.47	5.71	-36.72
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COC)CC1	REAL300020261835	0	51	-1.0	-43.17	410.41	8.57	-34.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COC)CC1	REAL300020261835	1	51	-1.0	-43.16	410.46	8.55	-34.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020261836	0	39	-1.0	-45.06	336.81	3.75	-41.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020261836	1	39	-1.0	-45.03	336.86	3.77	-41.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020261837	0	36	-1.0	-46.90	316.92	3.03	-43.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020261837	1	36	-1.0	-46.88	316.86	3.01	-43.87
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020261838	0	43	-1.0	-48.41	360.93	5.93	-42.48
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020261838	1	43	-1.0	-48.38	360.93	5.91	-42.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020261839	0	56	0.0	-64.04	426.92	10.45	-53.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020261839	1	56	0.0	-61.72	431.31	10.39	-51.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020261839	1	56	0.0	-64.33	428.25	10.44	-53.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020261839	1	56	0.0	-61.73	431.37	10.42	-51.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020261840	0	56	0.0	-61.66	423.57	9.78	-51.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020261840	1	56	0.0	-61.69	423.63	9.79	-51.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020261841	0	53	0.0	-60.49	401.67	8.98	-51.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020261841	1	53	0.0	-60.50	401.73	9.00	-51.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=C)CC1	REAL300020261842	0	41	-1.0	-39.93	341.47	7.19	-32.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=C)CC1	REAL300020261842	1	41	-1.0	-39.93	341.53	7.20	-32.73
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(=C)CC1	REAL300020261843	0	45	-1.0	-41.30	370.21	9.18	-32.12
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(=C)CC1	REAL300020261843	1	45	-1.0	-41.32	370.25	9.17	-32.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020261844	0	47	-1.0	-40.74	370.65	6.55	-34.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020261844	1	47	-1.0	-40.72	370.73	6.57	-34.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020261845	0	44	-1.0	-40.59	353.74	5.84	-34.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020261845	1	44	-1.0	-40.60	353.69	5.84	-34.76
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCOC1	REAL300020261846	0	51	-1.0	-42.37	402.44	8.65	-33.72
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCOC1	REAL300020261846	1	51	-1.0	-42.32	402.49	8.64	-33.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020261847	0	53	-1.0	-39.08	410.12	10.32	-28.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020261847	1	53	-1.0	-39.08	410.18	10.33	-28.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020261848	0	50	-1.0	-42.55	392.37	9.68	-32.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020261848	1	50	-1.0	-42.59	392.31	9.65	-32.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020261849	0	53	-1.0	-39.47	427.13	10.90	-28.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020261849	1	53	-1.0	-39.50	427.18	10.91	-28.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020261850	0	50	-1.0	-41.96	405.75	10.13	-31.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020261850	1	50	-1.0	-42.00	405.69	10.11	-31.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020261851	0	39	-1.0	-45.05	334.72	4.77	-40.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020261851	1	39	-1.0	-45.02	334.79	4.77	-40.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020261852	0	36	-1.0	-46.52	317.11	4.16	-42.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020261852	1	36	-1.0	-46.52	317.06	4.14	-42.38
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020261853	0	43	-1.0	-45.56	366.76	6.87	-38.69
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020261853	1	43	-1.0	-45.54	366.85	6.86	-38.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020261854	0	52	-1.0	-47.40	416.74	4.61	-42.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020261854	1	52	-1.0	-47.39	416.80	4.62	-42.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020261855	0	49	-1.0	-51.52	397.39	3.86	-47.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020261855	1	49	-1.0	-51.52	397.44	3.90	-47.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N2CCCC2)CC1	REAL300020261856	0	53	-1.0	-50.08	425.05	5.42	-44.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N2CCCC2)CC1	REAL300020261856	1	53	-1.0	-50.04	425.11	5.44	-44.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020261857	0	43	-1.0	-42.28	368.07	6.17	-36.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020261857	1	43	-1.0	-42.27	368.01	6.15	-36.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020261858	0	40	-1.0	-44.20	344.20	5.52	-38.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020261858	1	40	-1.0	-44.21	344.14	5.49	-38.72
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020261859	0	47	-1.0	-45.11	385.59	8.09	-37.02
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020261859	1	47	-1.0	-45.12	385.57	8.10	-37.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020261860	0	49	-1.0	-40.13	411.32	6.98	-33.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020261860	1	49	-1.0	-40.10	411.38	6.99	-33.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020261860	1	50	0.0	-68.39	415.40	9.28	-59.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020261861	0	46	-1.0	-42.61	391.33	6.23	-36.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020261861	1	46	-1.0	-42.57	391.39	6.26	-36.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020261861	1	47	0.0	-63.74	388.45	8.75	-54.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020261862	0	46	-1.0	-41.43	390.71	7.04	-34.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020261862	1	46	-1.0	-41.43	390.77	7.06	-34.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020261863	0	43	-1.0	-45.87	366.97	6.43	-39.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020261863	1	43	-1.0	-45.88	366.91	6.41	-39.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(OC)=C(OC)C=C1C	REAL300020261864	0	54	-1.0	-41.52	440.15	8.49	-33.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(OC)=C(OC)C=C1C	REAL300020261864	1	54	-1.0	-41.59	440.21	8.50	-33.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(OC)=C(OC)C=C1C	REAL300020261865	0	51	-1.0	-43.41	418.71	7.73	-35.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(OC)=C(OC)C=C1C	REAL300020261865	1	51	-1.0	-43.40	418.66	7.70	-35.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020261866	0	51	-1.0	-42.57	418.67	6.14	-36.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020261866	1	51	-1.0	-42.66	418.73	6.15	-36.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020261867	0	48	-1.0	-46.36	397.59	5.03	-41.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020261867	1	48	-1.0	-46.37	397.65	5.05	-41.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020261868	0	45	-1.0	-41.91	396.30	7.84	-34.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020261868	1	45	-1.0	-41.89	396.36	7.85	-34.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020261869	0	42	-1.0	-43.74	376.04	7.31	-36.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020261869	1	42	-1.0	-43.70	375.98	7.28	-36.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020261870	0	50	-1.0	-40.80	415.52	8.41	-32.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020261870	1	50	-1.0	-40.78	415.57	8.43	-32.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020261871	0	47	-1.0	-45.67	381.79	7.93	-37.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020261871	1	47	-1.0	-45.66	381.74	7.91	-37.75
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)C1	REAL300020261872	0	45	-1.0	-41.48	370.99	6.64	-34.84
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)C1	REAL300020261872	1	45	-1.0	-41.49	371.05	6.66	-34.83
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)C1	REAL300020261873	0	42	-1.0	-42.35	349.55	5.88	-36.47
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)C1	REAL300020261873	1	42	-1.0	-42.32	349.49	5.86	-36.46
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)C1	REAL300020261874	0	49	-1.0	-43.04	399.92	8.60	-34.44
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)C1	REAL300020261874	1	49	-1.0	-43.04	399.97	8.59	-34.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020261875	0	43	-1.0	-41.71	339.20	6.84	-34.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020261875	1	43	-1.0	-41.66	339.25	6.85	-34.81
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020261876	0	47	-1.0	-43.15	367.72	8.80	-34.35
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020261876	1	47	-1.0	-43.13	367.74	8.79	-34.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020261877	0	49	-1.0	-38.94	379.50	8.47	-30.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020261877	1	49	-1.0	-38.94	379.56	8.48	-30.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020261878	0	46	-1.0	-42.72	361.75	7.83	-34.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020261878	1	46	-1.0	-42.73	361.70	7.80	-34.93
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)C)C1	REAL300020261879	0	53	-1.0	-41.22	404.84	10.44	-30.78
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)C)C1	REAL300020261879	1	53	-1.0	-41.24	404.87	10.42	-30.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)C1	REAL300020261880	0	47	-1.0	-41.20	377.68	6.49	-34.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)C1	REAL300020261880	1	47	-1.0	-41.18	377.74	6.50	-34.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)C1	REAL300020261881	0	44	-1.0	-44.55	362.55	5.71	-38.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)C1	REAL300020261881	1	44	-1.0	-44.52	362.49	5.69	-38.83
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCOC)C1	REAL300020261882	0	51	-1.0	-44.42	402.05	8.23	-36.19
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCOC)C1	REAL300020261882	1	51	-1.0	-44.38	402.07	8.22	-36.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020261883	0	47	-1.0	-39.43	371.27	8.52	-30.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020261883	1	47	-1.0	-39.44	371.33	8.54	-30.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020261884	0	44	-1.0	-43.01	350.42	7.78	-35.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020261884	1	44	-1.0	-43.02	350.36	7.75	-35.27
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020261885	0	51	-1.0	-42.07	399.08	10.47	-31.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020261885	1	51	-1.0	-41.97	399.16	10.46	-31.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020261886	0	55	-1.0	-40.89	434.78	5.20	-35.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020261886	1	55	-1.0	-40.88	434.84	5.21	-35.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020261886	1	56	0.0	-65.67	429.01	7.53	-58.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020261886	1	56	0.0	-65.86	435.45	7.80	-58.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020261887	0	52	-1.0	-41.66	397.21	4.62	-37.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020261887	1	52	-1.0	-41.68	397.26	4.63	-37.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020261887	1	53	0.0	-63.20	410.59	6.89	-56.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020261887	1	53	0.0	-61.13	417.27	6.91	-54.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020261888	0	51	-1.0	-42.85	409.55	8.82	-34.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020261888	1	51	-1.0	-42.79	409.61	8.84	-33.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020261889	0	48	-1.0	-43.11	393.16	7.87	-35.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020261889	1	48	-1.0	-43.09	393.10	7.85	-35.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020261890	0	48	-1.0	-40.75	368.04	6.72	-34.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020261890	1	48	-1.0	-40.77	368.10	6.73	-34.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020261891	0	45	-1.0	-43.61	347.91	5.97	-37.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020261891	1	45	-1.0	-43.61	347.86	5.96	-37.65
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020261892	0	52	-1.0	-43.02	390.47	8.80	-34.22
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020261892	1	52	-1.0	-42.98	390.54	8.79	-34.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)(C2=CC=CC=C2)CC1	REAL300020261893	0	51	-1.0	-51.79	410.67	5.62	-46.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)(C2=CC=CC=C2)CC1	REAL300020261893	1	51	-1.0	-51.76	410.73	5.65	-46.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC)C1	REAL300020261894	0	41	-1.0	-42.18	332.41	4.92	-37.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC)C1	REAL300020261894	1	41	-1.0	-42.19	332.47	4.93	-37.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OC)C1	REAL300020261895	0	45	-1.0	-43.68	360.93	6.90	-36.78
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OC)C1	REAL300020261895	1	45	-1.0	-43.67	360.96	6.88	-36.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020261896	0	46	-1.0	-40.15	343.97	6.99	-33.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020261896	1	46	-1.0	-40.17	344.03	7.01	-33.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020261897	0	43	-1.0	-41.73	338.65	6.78	-34.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020261897	1	43	-1.0	-41.74	338.59	6.75	-34.99
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(C)C1	REAL300020261898	0	50	-1.0	-40.39	393.44	9.67	-30.72
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(C)C1	REAL300020261898	1	50	-1.0	-40.39	393.44	9.66	-30.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)C1	REAL300020261899	0	41	-1.0	-43.61	332.55	4.81	-38.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)C1	REAL300020261899	1	41	-1.0	-43.62	332.61	4.82	-38.80
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC)C1	REAL300020261900	0	45	-1.0	-43.47	364.46	6.86	-36.61
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC)C1	REAL300020261900	1	45	-1.0	-43.37	364.52	6.85	-36.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020261901	0	46	-1.0	-39.31	365.73	8.11	-31.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020261901	1	46	-1.0	-39.34	365.79	8.12	-31.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020261902	0	43	-1.0	-41.49	346.61	7.19	-34.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020261902	1	43	-1.0	-41.54	346.55	7.16	-34.38
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC)C1	REAL300020261903	0	50	-1.0	-42.00	379.28	9.37	-32.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC)C1	REAL300020261903	1	50	-1.0	-41.96	379.30	9.35	-32.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020261904	0	49	-1.0	-38.55	384.66	8.62	-29.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020261904	1	49	-1.0	-38.59	384.72	8.64	-29.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020261905	0	46	-1.0	-42.56	364.99	7.91	-34.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020261905	1	46	-1.0	-42.58	364.93	7.88	-34.70
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020261906	0	53	-1.0	-42.07	410.19	10.81	-31.26
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020261906	1	53	-1.0	-42.03	410.23	10.80	-31.23
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020261907	0	49	-1.0	-38.88	404.27	9.10	-29.78
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020261907	1	49	-1.0	-38.92	404.33	9.11	-29.81
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020261908	0	46	-1.0	-41.90	382.59	8.32	-33.58
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020261908	1	46	-1.0	-41.87	382.53	8.30	-33.57
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020261909	0	53	-1.0	-41.55	432.75	11.06	-30.49
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020261909	1	53	-1.0	-41.55	432.79	11.05	-30.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(CC)C1	REAL300020261910	0	44	-1.0	-38.06	369.13	7.81	-30.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(CC)C1	REAL300020261910	1	44	-1.0	-38.03	369.19	7.82	-30.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(CC)C1	REAL300020261911	0	41	-1.0	-39.87	347.29	7.24	-32.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(CC)C1	REAL300020261911	1	41	-1.0	-39.84	347.24	7.22	-32.62
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(CC)C1	REAL300020261912	0	48	-1.0	-40.83	397.99	9.81	-31.02
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(CC)C1	REAL300020261912	1	48	-1.0	-40.76	398.03	9.80	-30.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1	REAL300020261913	0	43	-1.0	-40.17	341.78	7.12	-33.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1	REAL300020261913	1	43	-1.0	-40.15	341.84	7.13	-33.02
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020261914	0	47	-1.0	-41.52	365.30	8.88	-32.64
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020261914	1	47	-1.0	-41.49	365.36	8.87	-32.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020261915	0	44	-1.0	-38.17	366.68	8.06	-30.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020261915	1	44	-1.0	-38.16	366.74	8.07	-30.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020261916	0	41	-1.0	-41.70	344.88	7.49	-34.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020261916	1	41	-1.0	-41.72	344.83	7.47	-34.25
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)(C)C1	REAL300020261917	0	48	-1.0	-40.44	389.45	10.04	-30.40
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)(C)C1	REAL300020261917	1	48	-1.0	-40.42	389.48	10.04	-30.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020261918	0	48	-1.0	-40.31	365.09	6.26	-34.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020261918	1	48	-1.0	-40.25	365.15	6.27	-33.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020261919	0	45	-1.0	-40.36	356.60	6.14	-34.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020261919	1	45	-1.0	-40.35	356.56	6.12	-34.23
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2OCCCC2C1	REAL300020261920	0	52	-1.0	-40.30	408.38	8.75	-31.55
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2OCCCC2C1	REAL300020261920	1	52	-1.0	-40.32	408.42	8.74	-31.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC)C1	REAL300020261921	0	47	-1.0	-40.54	368.26	6.20	-34.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC)C1	REAL300020261921	1	47	-1.0	-40.54	368.32	6.22	-34.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC)C1	REAL300020261922	0	44	-1.0	-41.72	361.81	5.89	-35.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC)C1	REAL300020261922	1	44	-1.0	-41.77	361.75	5.86	-35.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCC)C1	REAL300020261923	0	51	-1.0	-41.62	404.43	8.75	-32.87
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCC)C1	REAL300020261923	1	51	-1.0	-41.55	404.47	8.74	-32.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020261924	0	52	-1.0	-39.02	400.63	9.54	-29.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020261924	1	52	-1.0	-39.05	400.68	9.56	-29.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020261925	0	49	-1.0	-43.90	379.56	8.80	-35.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020261925	1	49	-1.0	-43.90	379.50	8.77	-35.13
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020261926	0	56	-1.0	-43.26	413.20	10.76	-32.50
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020261926	1	56	-1.0	-43.26	413.23	10.75	-32.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020261927	0	56	-1.0	-48.30	446.62	7.38	-40.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020261927	1	56	-1.0	-48.30	446.68	7.40	-40.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020261928	0	53	-1.0	-50.04	426.97	6.43	-43.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020261928	1	53	-1.0	-50.01	427.02	6.45	-43.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)CCC)C1	REAL300020261929	0	56	-1.0	-46.93	448.11	7.47	-39.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)CCC)C1	REAL300020261929	1	56	-1.0	-46.94	448.17	7.49	-39.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)CCC)C1	REAL300020261930	0	53	-1.0	-50.17	428.92	6.53	-43.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)CCC)C1	REAL300020261930	1	53	-1.0	-50.19	428.98	6.55	-43.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)CCC)C1	REAL300020261931	0	53	-1.0	-43.49	430.37	6.85	-36.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)CCC)C1	REAL300020261931	1	53	-1.0	-43.48	430.43	6.86	-36.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)CCC)C1	REAL300020261932	0	50	-1.0	-44.30	409.10	5.83	-38.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)CCC)C1	REAL300020261932	1	50	-1.0	-44.31	409.15	5.86	-38.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCCCC)C1	REAL300020261933	0	56	-1.0	-47.93	449.51	7.19	-40.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCCCC)C1	REAL300020261933	1	56	-1.0	-47.93	449.57	7.20	-40.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCCCC)C1	REAL300020261934	0	53	-1.0	-49.48	429.68	6.43	-43.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCCCC)C1	REAL300020261934	1	53	-1.0	-49.48	429.73	6.45	-43.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020261935	0	51	-1.0	-46.89	416.01	6.72	-40.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020261935	1	51	-1.0	-46.89	416.07	6.73	-40.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020261936	0	48	-1.0	-53.18	396.73	5.76	-47.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020261936	1	48	-1.0	-53.22	396.78	5.79	-47.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC(C)CCC)C1	REAL300020261937	0	56	-1.0	-49.68	449.43	7.43	-42.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC(C)CCC)C1	REAL300020261937	1	56	-1.0	-49.68	449.49	7.46	-42.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCCC)C1	REAL300020261938	0	53	-1.0	-48.12	428.01	6.41	-41.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCCC)C1	REAL300020261938	1	53	-1.0	-48.14	428.07	6.43	-41.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCCC)C1	REAL300020261939	0	50	-1.0	-49.67	408.18	5.66	-44.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCCC)C1	REAL300020261939	1	50	-1.0	-49.71	408.24	5.68	-44.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)CCCCC)CC1	REAL300020261940	0	56	-1.0	-48.42	448.26	7.48	-40.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)CCCCC)CC1	REAL300020261940	1	56	-1.0	-48.41	448.30	7.51	-40.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=C(C)OC=C2)CC1	REAL300020261941	0	51	-1.0	-48.45	420.87	6.24	-42.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=C(C)OC=C2)CC1	REAL300020261941	1	51	-1.0	-48.47	420.92	6.26	-42.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020261942	0	56	-1.0	-43.17	447.31	7.33	-35.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020261942	1	56	-1.0	-43.16	447.37	7.34	-35.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020261943	0	53	-1.0	-43.91	426.02	6.32	-37.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020261943	1	53	-1.0	-43.92	426.08	6.34	-37.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(=O)NC	REAL300020261944	0	43	-1.0	-50.58	362.12	3.62	-46.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(=O)NC	REAL300020261944	1	43	-1.0	-50.53	362.17	3.63	-46.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(=O)NC	REAL300020261945	0	40	-1.0	-50.99	343.40	2.94	-48.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(=O)NC	REAL300020261945	1	40	-1.0	-50.98	343.34	2.92	-48.06
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(=O)NC	REAL300020261946	0	47	-1.0	-51.36	393.55	5.69	-45.67
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(=O)NC	REAL300020261946	1	47	-1.0	-51.36	393.60	5.68	-45.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCCC)CC1	REAL300020261947	0	56	-1.0	-43.03	449.61	7.21	-35.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCCC)CC1	REAL300020261947	1	56	-1.0	-43.06	449.67	7.23	-35.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCCC)CC1	REAL300020261948	0	53	-1.0	-43.44	425.83	6.55	-36.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCCC)CC1	REAL300020261948	1	53	-1.0	-43.50	425.87	6.57	-36.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020261949	0	48	-1.0	-43.33	408.11	7.29	-36.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020261949	1	48	-1.0	-43.34	408.17	7.30	-36.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020261950	0	45	-1.0	-44.28	388.85	6.56	-37.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020261950	1	45	-1.0	-44.26	388.91	6.58	-37.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=C(OC)C=C2C=C1	REAL300020261951	0	50	-1.0	-44.12	418.47	9.18	-34.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=C(OC)C=C2C=C1	REAL300020261951	1	50	-1.0	-44.06	418.42	9.15	-34.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020261952	0	40	-1.0	-39.45	351.66	7.25	-32.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020261952	1	40	-1.0	-39.49	351.72	7.26	-32.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020261953	0	37	-1.0	-42.47	331.37	6.77	-35.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020261953	1	37	-1.0	-42.46	331.31	6.75	-35.71
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CSC=C1	REAL300020261954	0	44	-1.0	-41.46	378.01	9.43	-32.03
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CSC=C1	REAL300020261954	1	44	-1.0	-41.45	378.06	9.41	-32.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020261955	0	51	-1.0	-44.63	416.43	7.92	-36.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020261955	1	51	-1.0	-44.63	416.47	7.95	-36.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020261956	0	48	-1.0	-47.57	400.32	2.80	-44.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020261956	1	48	-1.0	-47.57	400.38	2.82	-44.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020261957	0	45	-1.0	-48.77	376.50	2.13	-46.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020261957	1	45	-1.0	-48.77	376.55	2.15	-46.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020261958	0	45	-1.0	-51.72	399.63	6.19	-45.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020261958	1	45	-1.0	-51.73	399.69	6.20	-45.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020261959	0	42	-1.0	-51.19	378.19	5.43	-45.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020261959	1	42	-1.0	-51.21	378.14	5.40	-45.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020261960	0	52	-1.0	-41.86	426.93	10.04	-31.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020261960	1	52	-1.0	-41.88	426.98	10.05	-31.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020261961	0	49	-1.0	-43.08	403.19	9.36	-33.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020261961	1	49	-1.0	-43.09	403.24	9.39	-33.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020261962	0	49	-1.0	-42.55	409.57	9.43	-33.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020261962	1	49	-1.0	-42.56	409.62	9.46	-33.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020261963	0	52	-1.0	-40.25	421.59	8.99	-31.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020261963	1	52	-1.0	-40.27	421.65	9.01	-31.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020261964	0	49	-1.0	-42.77	391.44	8.38	-34.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020261964	1	49	-1.0	-42.80	391.38	8.36	-34.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020261965	0	45	-1.0	-45.52	383.96	3.16	-42.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020261965	1	45	-1.0	-45.53	384.02	3.17	-42.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020261966	0	42	-1.0	-46.20	362.46	2.37	-43.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020261966	1	42	-1.0	-46.22	362.52	2.40	-43.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020261967	0	47	-1.0	-41.48	388.38	5.13	-36.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020261967	1	47	-1.0	-41.55	388.32	5.11	-36.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020261968	0	44	-1.0	-44.28	368.44	4.39	-39.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020261968	1	44	-1.0	-44.29	368.39	4.37	-39.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020261969	0	50	-1.0	-39.11	404.38	10.12	-28.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020261969	1	50	-1.0	-39.10	404.44	10.13	-28.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020261970	0	47	-1.0	-41.05	380.69	9.47	-31.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020261970	1	47	-1.0	-41.03	380.64	9.44	-31.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020261971	0	49	-1.0	-40.17	408.61	10.53	-29.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020261971	1	49	-1.0	-40.17	408.67	10.55	-29.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020261972	0	46	-1.0	-46.36	381.73	9.91	-36.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020261972	1	46	-1.0	-46.36	381.68	9.89	-36.47
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1	REAL300020261973	0	44	-1.0	-41.64	357.63	8.74	-32.90
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1	REAL300020261973	1	44	-1.0	-41.62	357.64	8.73	-32.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020261974	0	48	-1.0	-42.53	403.41	8.13	-34.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020261974	1	48	-1.0	-42.56	403.46	8.14	-34.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020261975	0	45	-1.0	-42.93	384.12	7.63	-35.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020261975	1	45	-1.0	-42.98	384.05	7.60	-35.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020261976	0	47	-1.0	-46.24	381.81	4.07	-42.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020261976	1	47	-1.0	-46.23	381.87	4.09	-42.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020261977	0	44	-1.0	-50.10	358.07	3.43	-46.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020261977	1	44	-1.0	-50.04	358.02	3.41	-46.63
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020261978	0	51	-1.0	-50.07	411.02	6.26	-43.81
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020261978	1	51	-1.0	-50.09	411.06	6.24	-43.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020261979	0	54	0.0	-70.57	419.39	7.30	-63.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020261979	1	54	0.0	-70.60	419.34	7.28	-63.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020261980	0	51	0.0	-68.25	395.61	6.61	-61.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020261980	1	51	0.0	-68.25	395.65	6.63	-61.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020261981	0	47	-1.0	-39.36	393.35	7.07	-32.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020261981	1	47	-1.0	-39.40	393.41	7.08	-32.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020261982	0	44	-1.0	-42.10	354.59	6.50	-35.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020261982	1	44	-1.0	-42.13	354.55	6.48	-35.65
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOCC1CC1	REAL300020261983	0	51	-1.0	-41.71	420.85	9.04	-32.67
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOCC1CC1	REAL300020261983	1	51	-1.0	-41.67	420.91	9.04	-32.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCCOC	REAL300020261984	0	50	-1.0	-42.31	413.08	5.25	-37.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCCOC	REAL300020261984	1	50	-1.0	-42.30	413.14	5.26	-37.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCCOC	REAL300020261985	0	47	-1.0	-44.12	394.22	4.57	-39.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCCOC	REAL300020261985	1	47	-1.0	-44.09	394.28	4.60	-39.49
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOCCCOC	REAL300020261986	0	54	-1.0	-43.40	444.36	7.33	-36.07
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOCCCOC	REAL300020261986	1	54	-1.0	-43.36	444.41	7.32	-36.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020261987	0	55	-1.0	-39.83	437.97	6.79	-33.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020261987	1	55	-1.0	-39.83	438.03	6.81	-33.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020261988	0	52	-1.0	-41.52	414.24	6.12	-35.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020261988	1	52	-1.0	-41.52	414.29	6.14	-35.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020261989	0	50	-1.0	-41.22	399.74	10.73	-30.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020261989	1	50	-1.0	-41.31	399.81	10.75	-30.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020261990	0	47	-1.0	-43.61	386.41	10.19	-33.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020261990	1	47	-1.0	-43.57	386.37	10.17	-33.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020261991	0	43	-1.0	-39.55	386.96	8.88	-30.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020261991	1	43	-1.0	-39.57	387.02	8.90	-30.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020261992	0	40	-1.0	-41.84	365.69	8.19	-33.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020261992	1	40	-1.0	-41.87	365.63	8.17	-33.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020261993	0	53	-1.0	-41.21	412.20	8.36	-32.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020261993	1	53	-1.0	-41.17	412.25	8.38	-32.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(CC)C1	REAL300020261994	0	56	0.0	-68.59	434.03	10.64	-57.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(CC)C1	REAL300020261994	1	56	0.0	-64.94	433.16	10.56	-54.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(CC)C1	REAL300020261994	1	56	0.0	-68.59	434.08	10.65	-57.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(CC)C1	REAL300020261994	1	56	0.0	-64.95	433.22	10.58	-54.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(C(C)C)C=C2)C1	REAL300020261995	0	56	-1.0	-44.15	438.25	11.27	-32.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(C(C)C)C=C2)C1	REAL300020261995	1	56	-1.0	-44.18	438.31	11.30	-32.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2F)CC1	REAL300020261996	0	51	-1.0	-42.17	421.70	9.26	-32.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2F)CC1	REAL300020261996	1	51	-1.0	-42.15	421.75	9.29	-32.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300020261997	0	56	-1.0	-43.54	447.70	11.89	-31.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300020261997	1	56	-1.0	-43.53	447.76	11.92	-31.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020261998	0	45	-1.0	-40.20	351.96	5.57	-34.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020261998	1	45	-1.0	-40.20	352.02	5.59	-34.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020261999	0	42	-1.0	-41.79	327.88	4.99	-36.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020261999	1	42	-1.0	-41.81	327.84	4.98	-36.83
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020262000	0	49	-1.0	-44.07	379.24	7.35	-36.72
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020262000	1	49	-1.0	-44.00	380.53	7.32	-36.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)CC1	REAL300020262001	0	50	-1.0	-42.55	409.05	10.17	-32.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)CC1	REAL300020262001	1	50	-1.0	-42.60	409.11	10.20	-32.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C(=O)C2=CC=CC=C2C1=O	REAL300020262002	0	47	-1.0	-50.61	405.98	7.31	-43.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C(=O)C2=CC=CC=C2C1=O	REAL300020262002	1	47	-1.0	-50.62	406.02	7.34	-43.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020262003	0	44	-1.0	-39.98	362.55	5.68	-34.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020262003	1	44	-1.0	-39.96	362.60	5.70	-34.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020262004	0	41	-1.0	-42.13	341.11	4.91	-37.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020262004	1	41	-1.0	-42.15	341.05	4.89	-37.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020262005	0	48	-1.0	-43.07	383.14	7.65	-35.42
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020262005	1	48	-1.0	-43.06	383.15	7.63	-35.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020262006	0	47	-1.0	-40.54	378.89	6.38	-34.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020262006	1	47	-1.0	-40.52	378.95	6.40	-34.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020262007	0	44	-1.0	-41.84	356.70	5.83	-36.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020262007	1	44	-1.0	-41.86	356.64	5.80	-36.06
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(C)C)C1	REAL300020262008	0	51	-1.0	-41.01	404.99	8.32	-32.69
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(C)C)C1	REAL300020262008	1	51	-1.0	-41.03	405.03	8.31	-32.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020262009	0	53	-1.0	-47.03	388.76	5.74	-41.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020262009	1	53	-1.0	-47.04	388.82	5.76	-41.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020262010	0	50	-1.0	-45.05	395.73	6.85	-38.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020262010	1	50	-1.0	-45.05	395.67	6.82	-38.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COC)C1	REAL300020262011	0	45	-1.0	-40.93	359.87	3.79	-37.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COC)C1	REAL300020262011	1	45	-1.0	-40.95	359.93	3.81	-37.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC)C1	REAL300020262012	0	42	-1.0	-41.99	352.45	3.75	-38.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC)C1	REAL300020262012	1	42	-1.0	-41.97	352.39	3.72	-38.25
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(COC)C1	REAL300020262013	0	49	-1.0	-43.17	385.63	5.71	-37.46
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(COC)C1	REAL300020262013	1	49	-1.0	-43.14	385.66	5.71	-37.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020262014	0	48	-1.0	-52.55	395.94	5.52	-47.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020262014	1	48	-1.0	-52.51	395.88	5.51	-47.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020262015	0	45	-1.0	-55.71	374.47	4.75	-50.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020262015	1	45	-1.0	-55.77	374.41	4.72	-51.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020262016	0	46	-1.0	-40.00	372.07	4.75	-35.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020262016	1	46	-1.0	-40.05	372.13	4.77	-35.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020262017	0	43	-1.0	-44.96	336.32	3.32	-41.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020262017	1	43	-1.0	-44.98	336.27	3.29	-41.69
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020262018	0	50	-1.0	-44.23	384.87	6.00	-38.23
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020262018	1	50	-1.0	-44.17	384.90	5.99	-38.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)(C(F)(F)F)C1	REAL300020262019	0	40	-1.0	-40.22	352.37	6.85	-33.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)(C(F)(F)F)C1	REAL300020262019	1	40	-1.0	-40.23	352.42	6.87	-33.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=C2)CC1	REAL300020262020	0	50	-1.0	-47.54	410.13	3.63	-43.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=C2)CC1	REAL300020262020	1	50	-1.0	-47.55	410.19	3.65	-43.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020262021	0	54	-1.0	-40.23	436.32	6.73	-33.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020262021	1	54	-1.0	-40.22	436.38	6.74	-33.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020262022	0	51	-1.0	-41.55	413.19	5.85	-35.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020262022	1	51	-1.0	-41.58	413.23	5.88	-35.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020262023	0	41	-1.0	-40.25	344.24	4.94	-35.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020262023	1	41	-1.0	-40.24	344.30	4.96	-35.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020262024	0	38	-1.0	-43.35	322.49	4.19	-39.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020262024	1	38	-1.0	-43.34	322.55	4.21	-39.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020262025	0	48	-1.0	-49.59	405.00	7.59	-42.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020262025	1	48	-1.0	-49.66	405.07	7.62	-42.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020262026	0	39	-1.0	-40.90	339.41	5.75	-35.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020262026	1	39	-1.0	-40.91	339.46	5.76	-35.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020262027	0	36	-1.0	-42.03	329.20	4.99	-37.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020262027	1	36	-1.0	-42.00	329.15	4.97	-37.03
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NC=CS1	REAL300020262028	0	43	-1.0	-42.45	372.46	7.84	-34.61
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NC=CS1	REAL300020262028	1	43	-1.0	-42.45	372.56	7.82	-34.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020262029	0	45	-1.0	-43.39	385.59	8.35	-35.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020262029	1	45	-1.0	-43.40	385.65	8.37	-35.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCC)C1	REAL300020262030	0	47	-1.0	-40.05	377.22	6.57	-33.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCC)C1	REAL300020262030	1	47	-1.0	-40.04	377.27	6.59	-33.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC)C1	REAL300020262031	0	44	-1.0	-42.97	364.04	5.96	-37.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC)C1	REAL300020262031	1	44	-1.0	-43.03	363.98	5.94	-37.09
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COCC)C1	REAL300020262032	0	51	-1.0	-41.74	402.33	8.44	-33.30
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COCC)C1	REAL300020262032	1	51	-1.0	-41.74	402.36	8.43	-33.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020262033	0	44	-1.0	-41.36	352.74	5.48	-35.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020262033	1	44	-1.0	-41.37	352.80	5.49	-35.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020262034	0	41	-1.0	-42.70	339.82	4.78	-37.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020262034	1	41	-1.0	-42.74	339.77	4.75	-37.99
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCOC1	REAL300020262035	0	48	-1.0	-43.22	383.67	7.60	-35.62
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCOC1	REAL300020262035	1	48	-1.0	-43.23	383.69	7.59	-35.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020262036	0	49	-1.0	-47.14	413.38	9.12	-38.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020262036	1	49	-1.0	-47.16	413.33	9.10	-38.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020262037	0	46	-1.0	-47.13	388.57	8.45	-38.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020262037	1	46	-1.0	-47.15	388.52	8.44	-38.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020262038	0	50	-1.0	-41.25	403.13	10.11	-31.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020262038	1	50	-1.0	-41.22	403.18	10.12	-31.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020262039	0	47	-1.0	-43.73	376.60	9.46	-34.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020262039	1	47	-1.0	-43.74	376.55	9.44	-34.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020262040	0	53	-1.0	-41.61	432.43	10.96	-30.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020262040	1	53	-1.0	-41.64	432.49	10.98	-30.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020262041	0	50	-1.0	-43.58	408.70	10.29	-33.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020262041	1	50	-1.0	-43.59	408.75	10.31	-33.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCC	REAL300020262042	0	50	-1.0	-42.39	413.20	5.61	-36.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCC	REAL300020262042	1	50	-1.0	-42.40	413.26	5.62	-36.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCC	REAL300020262043	0	47	-1.0	-43.95	394.57	4.93	-39.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCC	REAL300020262043	1	47	-1.0	-43.93	394.63	4.95	-38.98
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOCCOCC	REAL300020262044	0	54	-1.0	-43.60	444.66	7.69	-35.91
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOCCOCC	REAL300020262044	1	54	-1.0	-43.56	444.71	7.68	-35.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N(C)C2=CC=C(C)C=C2)C1	REAL300020262045	0	55	-1.0	-41.79	434.87	9.94	-31.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N(C)C2=CC=C(C)C=C2)C1	REAL300020262045	1	55	-1.0	-41.80	434.93	9.96	-31.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020262046	0	45	-1.0	-42.95	380.91	6.58	-36.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020262046	1	45	-1.0	-42.98	380.97	6.59	-36.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020262047	0	42	-1.0	-45.49	359.45	5.82	-39.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020262047	1	42	-1.0	-45.47	359.39	5.79	-39.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(CC)C=C2)C1	REAL300020262048	0	54	-1.0	-42.23	439.89	9.50	-32.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(CC)C=C2)C1	REAL300020262048	1	54	-1.0	-42.23	439.95	9.51	-32.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(CC)C=C2)C1	REAL300020262049	0	51	-1.0	-43.82	421.12	8.81	-35.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(CC)C=C2)C1	REAL300020262049	1	51	-1.0	-43.85	421.18	8.83	-35.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCS2(=O)=O)C1	REAL300020262050	0	49	-1.0	-53.80	407.70	4.01	-49.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCS2(=O)=O)C1	REAL300020262050	1	49	-1.0	-53.75	407.76	4.03	-49.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Br)=CS1	REAL300020262051	0	37	-1.0	-41.20	352.78	7.47	-33.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Br)=CS1	REAL300020262051	1	37	-1.0	-41.16	352.84	7.50	-33.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020262052	0	50	-1.0	-41.61	413.88	8.70	-32.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020262052	1	50	-1.0	-41.64	413.94	8.71	-32.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020262053	0	47	-1.0	-43.27	395.10	8.00	-35.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020262053	1	47	-1.0	-43.24	395.17	8.03	-35.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020262054	0	51	-1.0	-42.47	425.28	7.95	-34.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020262054	1	51	-1.0	-42.43	425.33	7.96	-34.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020262055	0	48	-1.0	-45.80	399.54	7.21	-38.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020262055	1	48	-1.0	-45.83	399.59	7.24	-38.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(CC)CC)CC1	REAL300020262056	0	55	-1.0	-46.10	427.50	7.46	-38.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(CC)CC)CC1	REAL300020262056	1	55	-1.0	-46.11	427.55	7.48	-38.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(CC)CC)CC1	REAL300020262057	0	52	-1.0	-48.81	408.07	6.50	-42.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(CC)CC)CC1	REAL300020262057	1	52	-1.0	-48.82	408.13	6.52	-42.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020262058	0	54	-1.0	-40.09	441.06	9.91	-30.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020262058	1	54	-1.0	-40.12	441.12	9.93	-30.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020262059	0	51	-1.0	-42.47	417.24	9.24	-33.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020262059	1	51	-1.0	-42.47	417.28	9.26	-33.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(SC)C(OC)=C1	REAL300020262060	0	48	-1.0	-42.31	395.62	8.12	-34.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(SC)C(OC)=C1	REAL300020262060	1	48	-1.0	-42.29	395.57	8.11	-34.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020262061	0	41	-1.0	-41.97	346.81	7.17	-34.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020262061	1	41	-1.0	-42.03	346.87	7.18	-34.85
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020262062	0	45	-1.0	-44.95	367.65	8.99	-35.96
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020262062	1	45	-1.0	-44.90	367.69	8.98	-35.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020262063	0	45	-1.0	-45.07	371.18	6.08	-38.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020262063	1	45	-1.0	-45.07	371.24	6.09	-38.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020262064	0	42	-1.0	-44.48	349.31	5.51	-38.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020262064	1	42	-1.0	-44.48	349.25	5.49	-38.99
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020262065	0	49	-1.0	-46.12	390.84	8.08	-38.04
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020262065	1	49	-1.0	-46.09	390.94	8.07	-38.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1C1=CC=CC=C1	REAL300020262066	0	54	-1.0	-45.37	422.27	9.39	-35.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1C1=CC=CC=C1	REAL300020262066	1	54	-1.0	-45.41	422.33	9.41	-36.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020262067	0	42	-1.0	-47.89	354.72	2.14	-45.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020262067	1	42	-1.0	-47.86	354.78	2.16	-45.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020262068	0	39	-1.0	-47.06	335.96	1.45	-45.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020262068	1	39	-1.0	-47.03	335.90	1.43	-45.60
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020262069	0	46	-1.0	-48.53	378.87	4.30	-44.23
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020262069	1	46	-1.0	-48.53	378.98	4.30	-44.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020262070	0	56	-1.0	-39.73	446.28	11.73	-28.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020262070	1	56	-1.0	-39.76	446.34	11.74	-28.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020262071	0	53	-1.0	-43.03	425.32	10.97	-32.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020262071	1	53	-1.0	-43.06	425.38	10.99	-32.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=C2Cl)CC1	REAL300020262072	0	49	-1.0	-41.13	410.02	8.62	-32.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=C2Cl)CC1	REAL300020262072	1	49	-1.0	-41.17	410.06	8.64	-32.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020262073	0	55	-1.0	-40.39	425.99	9.65	-30.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020262073	1	55	-1.0	-40.37	426.04	9.67	-30.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020262074	0	52	-1.0	-45.15	411.59	8.20	-36.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020262074	1	52	-1.0	-45.16	411.53	8.18	-36.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCCCC1	REAL300020262075	0	55	-1.0	-46.47	434.78	9.67	-36.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCCCC1	REAL300020262075	1	55	-1.0	-46.49	434.72	9.65	-36.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCCCC2)C=C1	REAL300020262076	0	55	-1.0	-41.94	435.85	8.85	-33.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCCCC2)C=C1	REAL300020262076	1	55	-1.0	-42.00	435.91	8.87	-33.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCOCC2)C=C1	REAL300020262077	0	53	-1.0	-43.26	427.04	6.43	-36.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCOCC2)C=C1	REAL300020262077	1	53	-1.0	-43.27	427.10	6.46	-36.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020262078	0	49	-1.0	-39.53	409.86	6.62	-32.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020262078	1	49	-1.0	-39.51	409.92	6.63	-32.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020262078	1	50	0.0	-69.69	414.49	9.07	-60.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020262079	0	46	-1.0	-41.90	389.90	5.91	-35.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020262079	1	46	-1.0	-41.86	389.96	5.94	-35.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020262079	1	47	0.0	-67.99	393.05	8.31	-59.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020262080	0	44	-1.0	-40.96	355.19	6.06	-34.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020262080	1	44	-1.0	-40.94	355.25	6.07	-34.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020262081	0	41	-1.0	-43.23	334.17	5.29	-37.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020262081	1	41	-1.0	-43.20	334.11	5.26	-37.94
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020262082	0	48	-1.0	-41.41	382.86	7.81	-33.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020262082	1	48	-1.0	-41.36	382.91	7.80	-33.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2C#N)CC1	REAL300020262083	0	47	-1.0	-49.79	399.32	7.43	-42.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2C#N)CC1	REAL300020262083	1	47	-1.0	-49.77	399.38	7.46	-42.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NS(=O)(=O)CC)CC1	REAL300020262084	0	51	-1.0	-46.87	421.79	3.66	-43.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NS(=O)(=O)CC)CC1	REAL300020262084	1	51	-1.0	-46.89	421.85	3.68	-43.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NS(=O)(=O)CC)CC1	REAL300020262085	0	48	-1.0	-47.58	398.66	2.79	-44.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NS(=O)(=O)CC)CC1	REAL300020262085	1	48	-1.0	-47.59	398.70	2.82	-44.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NS(=O)(=O)CCC)CC1	REAL300020262086	0	51	-1.0	-47.40	420.16	3.59	-43.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NS(=O)(=O)CCC)CC1	REAL300020262086	1	51	-1.0	-47.41	420.20	3.61	-43.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020262087	0	46	-1.0	-39.31	365.73	8.11	-31.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020262087	1	46	-1.0	-39.34	365.79	8.12	-31.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020262088	0	43	-1.0	-41.49	346.61	7.19	-34.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020262088	1	43	-1.0	-41.54	346.55	7.16	-34.38
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC)C1	REAL300020262089	0	50	-1.0	-42.00	379.28	9.37	-32.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC)C1	REAL300020262089	1	50	-1.0	-41.96	379.30	9.35	-32.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020262090	0	48	-1.0	-45.79	401.66	6.69	-39.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020262090	1	48	-1.0	-45.79	401.71	6.70	-39.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020262091	0	45	-1.0	-47.44	379.61	5.88	-41.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020262091	1	45	-1.0	-47.42	379.67	5.90	-41.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020262092	0	36	-1.0	-43.20	311.09	5.97	-37.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020262092	1	36	-1.0	-43.25	311.14	5.98	-37.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020262093	0	33	-1.0	-43.34	297.06	4.79	-38.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020262093	1	33	-1.0	-43.35	297.00	4.77	-38.58
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(F)(F)F	REAL300020262094	0	40	-1.0	-40.52	345.48	7.92	-32.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(F)(F)F	REAL300020262094	1	40	-1.0	-40.45	345.53	7.90	-32.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N2CCCC(C)C2)CC1	REAL300020262095	0	57	-1.0	-42.77	437.55	8.49	-34.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N2CCCC(C)C2)CC1	REAL300020262095	1	57	-1.0	-42.78	437.59	8.52	-34.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020262096	0	56	-1.0	-43.06	435.28	8.22	-34.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020262096	1	56	-1.0	-43.09	435.34	8.22	-34.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020262097	0	53	-1.0	-44.59	411.46	7.54	-37.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020262097	1	53	-1.0	-44.56	411.51	7.56	-37.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020262098	0	52	-1.0	-42.00	426.91	10.67	-31.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020262098	1	52	-1.0	-41.99	426.96	10.69	-31.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020262099	0	49	-1.0	-43.57	408.12	9.98	-33.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020262099	1	49	-1.0	-43.53	408.19	10.00	-33.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020262100	0	43	-1.0	-37.84	397.83	9.33	-28.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020262100	1	43	-1.0	-37.87	397.89	9.35	-28.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020262101	0	40	-1.0	-41.11	374.38	8.78	-32.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020262101	1	40	-1.0	-41.11	374.32	8.76	-32.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C#N	REAL300020262102	0	40	-1.0	-46.49	335.40	6.74	-39.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C#N	REAL300020262102	1	40	-1.0	-46.48	335.46	6.75	-39.73
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020262103	0	44	-1.0	-47.21	370.48	8.80	-38.41
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020262103	1	44	-1.0	-47.17	370.51	8.80	-38.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(C)C=C2)CC1	REAL300020262104	0	51	-1.0	-46.04	417.01	8.34	-37.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(C)C=C2)CC1	REAL300020262104	1	51	-1.0	-45.99	417.07	8.36	-37.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NCC(C)(C)S2)CC1	REAL300020262105	0	50	-1.0	-44.08	408.44	6.91	-37.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NCC(C)(C)S2)CC1	REAL300020262105	1	50	-1.0	-44.13	408.50	6.93	-37.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020262106	0	50	-1.0	-44.28	414.06	6.54	-37.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020262106	1	50	-1.0	-44.31	414.10	6.56	-37.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020262106	1	49	-2.0	-86.49	410.49	7.31	-79.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020262106	1	49	-2.0	-86.54	410.54	7.33	-79.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(OCC)=N2)CC1	REAL300020262107	0	52	-1.0	-44.50	427.65	5.88	-38.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(OCC)=N2)CC1	REAL300020262107	1	52	-1.0	-44.48	427.60	5.85	-38.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(C#N)=C2)CC1	REAL300020262108	0	49	-1.0	-45.44	410.73	8.84	-36.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(C#N)=C2)CC1	REAL300020262108	1	49	-1.0	-45.45	410.78	8.86	-36.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C1=CC=CC=C1	REAL300020262109	0	50	-1.0	-46.88	404.72	10.58	-36.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C1=CC=CC=C1	REAL300020262109	1	50	-1.0	-46.84	404.67	10.57	-36.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020262110	0	53	0.0	-61.87	406.71	9.02	-52.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020262110	1	53	0.0	-61.91	406.65	9.00	-52.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020262111	0	50	0.0	-63.89	381.78	8.28	-55.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020262111	1	50	0.0	-63.87	381.71	8.26	-55.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020262112	0	46	-1.0	-40.27	390.97	9.30	-30.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020262112	1	46	-1.0	-40.33	391.02	9.32	-31.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020262113	0	43	-1.0	-42.19	372.45	8.68	-33.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020262113	1	43	-1.0	-42.20	372.41	8.66	-33.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300020262114	0	48	-1.0	-46.02	403.38	7.69	-38.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300020262114	1	48	-1.0	-46.08	403.44	7.71	-38.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020262115	0	57	-1.0	-47.60	450.06	9.02	-38.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020262115	1	57	-1.0	-47.61	450.11	9.04	-38.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020262116	0	54	-1.0	-47.52	424.84	8.34	-39.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020262116	1	54	-1.0	-47.51	424.89	8.36	-39.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020262117	0	47	-1.0	-43.07	381.00	4.24	-38.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020262117	1	47	-1.0	-43.09	381.06	4.26	-38.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020262118	0	44	-1.0	-45.98	361.88	3.32	-42.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020262118	1	44	-1.0	-45.97	361.82	3.30	-42.67
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020262119	0	51	-1.0	-45.05	412.10	6.10	-38.95
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020262119	1	51	-1.0	-44.97	412.16	6.09	-38.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CCOC)C(CCC)C1	REAL300020262120	0	59	0.0	-64.28	448.85	8.38	-55.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CCOC)C(CCC)C1	REAL300020262120	1	59	0.0	-69.73	433.99	7.97	-61.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CCOC)C(CCC)C1	REAL300020262121	0	56	0.0	-62.57	413.10	7.08	-55.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CCOC)C(CCC)C1	REAL300020262121	1	56	0.0	-59.14	419.94	7.64	-51.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(CCC)C1	REAL300020262121	1	55	-1.0	-42.76	427.51	5.87	-36.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020262122	0	46	-1.0	-43.10	382.34	5.95	-37.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020262122	1	46	-1.0	-43.09	382.39	5.96	-37.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020262123	0	43	-1.0	-44.60	363.55	5.31	-39.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020262123	1	43	-1.0	-44.56	363.49	5.28	-39.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020262124	0	49	-1.0	-40.36	385.56	5.57	-34.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020262124	1	49	-1.0	-40.39	385.62	5.59	-34.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020262125	0	46	-1.0	-44.16	366.09	4.88	-39.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020262125	1	46	-1.0	-44.14	366.15	4.90	-39.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020262126	0	52	-1.0	-41.42	407.34	6.33	-35.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020262126	1	52	-1.0	-41.43	407.40	6.35	-35.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020262127	0	49	-1.0	-43.79	386.31	5.55	-38.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020262127	1	49	-1.0	-43.81	386.38	5.57	-38.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020262128	0	52	-1.0	-40.35	409.07	6.63	-33.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020262128	1	52	-1.0	-40.38	409.12	6.64	-33.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020262129	0	49	-1.0	-42.34	388.16	5.64	-36.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020262129	1	49	-1.0	-42.33	388.22	5.67	-36.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020262130	0	49	-1.0	-42.16	388.17	5.25	-36.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020262130	1	49	-1.0	-42.20	388.23	5.27	-36.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020262131	0	46	-1.0	-44.98	366.67	4.47	-40.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020262131	1	46	-1.0	-44.99	366.73	4.49	-40.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020262132	0	54	-1.0	-42.19	438.80	7.75	-34.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020262132	1	54	-1.0	-42.19	438.86	7.76	-34.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020262133	0	51	-1.0	-44.51	418.86	7.00	-37.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020262133	1	51	-1.0	-44.55	418.91	7.01	-37.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020262134	0	54	-1.0	-38.15	426.81	8.76	-29.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020262134	1	54	-1.0	-38.18	426.87	8.77	-29.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020262135	0	51	-1.0	-40.07	403.08	8.08	-31.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020262135	1	51	-1.0	-40.06	403.13	8.11	-31.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(OC)C=C2)CC1	REAL300020262136	0	54	-1.0	-44.53	431.45	9.51	-35.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(OC)C=C2)CC1	REAL300020262136	1	54	-1.0	-44.54	431.49	9.54	-35.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020262137	0	51	-1.0	-42.11	408.70	8.68	-33.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020262137	1	51	-1.0	-42.10	408.76	8.69	-33.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020262138	0	48	-1.0	-46.35	384.75	7.89	-38.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020262138	1	48	-1.0	-46.35	384.69	7.86	-38.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020262139	0	52	-1.0	-40.14	396.44	9.45	-30.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020262139	1	52	-1.0	-40.20	396.50	9.47	-30.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020262140	0	49	-1.0	-41.91	385.91	8.57	-33.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020262140	1	49	-1.0	-41.89	385.98	8.60	-33.29
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1CCCCC1	REAL300020262141	0	56	-1.0	-41.90	421.89	11.35	-30.55
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1CCCCC1	REAL300020262141	1	56	-1.0	-41.93	421.94	11.34	-30.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020262142	0	50	-1.0	-41.00	402.88	8.48	-32.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020262142	1	50	-1.0	-41.00	402.94	8.50	-32.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020262143	0	47	-1.0	-42.89	392.67	7.67	-35.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020262143	1	47	-1.0	-42.88	392.61	7.64	-35.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2CCCCC2)CC1	REAL300020262144	0	57	-1.0	-44.88	442.46	9.01	-35.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2CCCCC2)CC1	REAL300020262144	1	57	-1.0	-44.92	442.51	9.04	-35.88
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020262145	0	50	-1.0	-40.50	404.04	9.97	-30.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020262145	1	50	-1.0	-40.54	404.09	9.99	-30.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020262146	0	47	-1.0	-42.50	378.63	9.28	-33.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020262146	1	47	-1.0	-42.49	378.59	9.25	-33.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020262147	0	53	-1.0	-41.58	432.09	10.95	-30.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020262147	1	53	-1.0	-41.56	432.14	10.97	-30.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020262148	0	50	-1.0	-43.84	408.35	10.28	-33.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020262148	1	50	-1.0	-43.88	408.40	10.30	-33.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020262149	0	38	-1.0	-46.27	319.16	2.12	-44.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020262149	1	38	-1.0	-46.28	319.22	2.14	-44.14
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020262150	0	42	-1.0	-49.61	343.69	3.72	-45.89
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020262150	1	42	-1.0	-49.63	343.73	3.71	-45.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020262151	0	55	-1.0	-48.33	443.30	4.41	-43.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020262151	1	55	-1.0	-48.32	443.35	4.43	-43.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020262152	0	52	-1.0	-51.09	421.63	3.62	-47.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020262152	1	52	-1.0	-51.05	421.69	3.64	-47.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020262153	0	53	-1.0	-46.85	430.95	4.42	-42.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020262153	1	53	-1.0	-46.86	431.01	4.43	-42.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020262154	0	50	-1.0	-48.69	411.01	3.67	-45.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020262154	1	50	-1.0	-48.70	411.07	3.70	-45.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020262155	0	50	-1.0	-47.01	409.76	6.72	-40.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020262155	1	50	-1.0	-46.99	409.82	6.73	-40.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020262156	0	47	-1.0	-46.30	399.56	5.90	-40.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020262156	1	47	-1.0	-46.34	399.50	5.88	-40.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NCCOC)CC1	REAL300020262157	0	53	-1.0	-49.36	434.50	1.87	-47.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NCCOC)CC1	REAL300020262157	1	53	-1.0	-49.33	434.55	1.90	-47.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NCC)CC1	REAL300020262158	0	49	-1.0	-46.41	400.26	5.35	-41.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NCC)CC1	REAL300020262158	1	49	-1.0	-46.41	400.32	5.36	-41.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NCC)CC1	REAL300020262159	0	46	-1.0	-48.21	378.41	4.56	-43.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NCC)CC1	REAL300020262159	1	46	-1.0	-48.15	378.35	4.53	-43.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020262160	0	47	-1.0	-43.59	384.47	5.05	-38.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020262160	1	47	-1.0	-43.59	384.53	5.07	-38.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020262161	0	44	-1.0	-45.09	360.69	4.40	-40.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020262161	1	44	-1.0	-45.09	360.65	4.38	-40.71
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020262162	0	51	-1.0	-46.05	414.33	7.04	-39.01
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020262162	1	51	-1.0	-46.02	414.38	7.02	-39.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020262163	0	51	-1.0	-49.49	419.21	7.46	-42.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020262163	1	51	-1.0	-49.52	419.25	7.48	-42.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(=O)NC2CC2)CC1	REAL300020262164	0	53	-1.0	-50.69	425.07	4.01	-46.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(=O)NC2CC2)CC1	REAL300020262164	1	53	-1.0	-50.70	425.12	4.04	-46.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020262165	0	48	-1.0	-45.07	404.02	7.51	-37.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020262165	1	48	-1.0	-45.09	404.07	7.53	-37.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020262166	0	46	-1.0	-40.91	381.35	7.52	-33.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020262166	1	46	-1.0	-40.93	381.41	7.53	-33.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020262167	0	43	-1.0	-42.70	357.58	6.86	-35.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020262167	1	43	-1.0	-42.70	357.53	6.85	-35.85
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020262168	0	50	-1.0	-43.58	411.22	9.50	-34.08
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020262168	1	50	-1.0	-43.51	411.26	9.48	-34.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020262169	0	48	-1.0	-49.98	409.04	7.20	-42.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020262169	1	48	-1.0	-49.97	409.10	7.22	-42.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020262170	0	45	-1.0	-49.27	387.65	6.46	-42.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020262170	1	45	-1.0	-49.30	387.59	6.44	-42.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020262171	0	47	-1.0	-40.55	396.02	8.06	-32.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020262171	1	47	-1.0	-40.56	396.08	8.07	-32.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020262172	0	44	-1.0	-44.10	370.34	7.35	-36.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020262172	1	44	-1.0	-44.09	370.29	7.32	-36.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OCC)C(OC)=C1	REAL300020262173	0	54	-1.0	-41.96	444.96	8.43	-33.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OCC)C(OC)=C1	REAL300020262173	1	54	-1.0	-41.93	445.02	8.44	-33.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OCC)C(OC)=C1	REAL300020262174	0	51	-1.0	-42.81	407.31	7.89	-34.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OCC)C(OC)=C1	REAL300020262174	1	51	-1.0	-42.84	407.26	7.88	-34.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OCC)C=C1	REAL300020262175	0	50	-1.0	-41.16	404.66	8.66	-32.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OCC)C=C1	REAL300020262175	1	50	-1.0	-41.16	404.72	8.68	-32.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OCC)C=C1	REAL300020262176	0	47	-1.0	-42.47	394.46	7.85	-34.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OCC)C=C1	REAL300020262176	1	47	-1.0	-42.45	394.40	7.82	-34.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Br	REAL300020262177	0	40	-1.0	-41.68	360.74	8.42	-33.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Br	REAL300020262177	1	40	-1.0	-41.66	360.68	8.40	-33.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020262178	0	47	-1.0	-40.84	387.46	7.90	-32.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020262178	1	47	-1.0	-40.84	387.52	7.91	-32.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020262179	0	44	-1.0	-44.73	372.68	6.99	-37.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020262179	1	44	-1.0	-44.70	372.62	6.96	-37.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020262180	0	49	-1.0	-40.13	396.20	9.88	-30.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020262180	1	49	-1.0	-40.13	396.26	9.89	-30.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020262181	0	46	-1.0	-42.03	386.00	9.06	-32.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020262181	1	46	-1.0	-42.00	385.94	9.04	-32.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(CC)OC2=CC=CC=C21	REAL300020262182	0	52	-1.0	-40.74	429.08	10.47	-30.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(CC)OC2=CC=CC=C21	REAL300020262182	1	52	-1.0	-40.73	429.14	10.49	-30.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(CC)OC2=CC=CC=C21	REAL300020262183	0	49	-1.0	-41.74	400.44	9.85	-31.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(CC)OC2=CC=CC=C21	REAL300020262183	1	49	-1.0	-41.75	400.42	9.83	-31.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N(CC)CC)C=C1	REAL300020262184	0	57	-1.0	-39.64	459.77	10.69	-28.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N(CC)CC)C=C1	REAL300020262184	1	57	-1.0	-39.62	459.83	10.70	-28.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N(CC)CC)C=C1	REAL300020262185	0	54	-1.0	-42.93	438.22	9.93	-33.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N(CC)CC)C=C1	REAL300020262185	1	54	-1.0	-42.92	438.17	9.90	-33.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CN(CC)C2=CC=CC=C2O1	REAL300020262186	0	53	-1.0	-44.13	421.01	6.92	-37.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CN(CC)C2=CC=CC=C2O1	REAL300020262186	1	53	-1.0	-44.13	421.07	6.94	-37.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020262187	0	47	-1.0	-40.37	399.34	8.40	-31.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020262187	1	47	-1.0	-40.35	399.40	8.41	-31.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020262188	0	44	-1.0	-42.98	372.28	7.73	-35.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020262188	1	44	-1.0	-42.99	372.34	7.76	-35.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020262189	0	47	-1.0	-41.89	408.99	8.49	-33.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020262189	1	47	-1.0	-41.96	409.05	8.51	-33.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020262190	0	44	-1.0	-43.60	390.12	7.81	-35.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020262190	1	44	-1.0	-43.62	390.18	7.84	-35.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020262191	0	47	-1.0	-40.40	412.07	8.62	-31.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020262191	1	47	-1.0	-40.39	412.12	8.63	-31.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020262192	0	44	-1.0	-42.66	386.32	7.87	-34.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020262192	1	44	-1.0	-42.69	386.37	7.90	-34.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020262193	0	55	-1.0	-39.85	439.50	8.76	-31.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020262193	1	55	-1.0	-39.88	439.55	8.78	-31.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020262194	0	52	-1.0	-41.68	421.01	8.14	-33.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020262194	1	52	-1.0	-41.72	420.95	8.11	-33.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020262195	0	47	-1.0	-41.52	402.25	8.12	-33.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020262195	1	47	-1.0	-41.53	402.31	8.14	-33.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020262196	0	44	-1.0	-43.51	376.52	7.39	-36.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020262196	1	44	-1.0	-43.54	376.57	7.41	-36.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020262197	0	50	-1.0	-40.09	411.47	8.96	-31.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020262197	1	50	-1.0	-40.10	411.52	8.97	-31.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020262198	0	47	-1.0	-43.26	389.33	7.96	-35.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020262198	1	47	-1.0	-43.28	389.39	7.99	-35.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(CC2=CC=CC=C2)N=C1	REAL300020262199	0	50	-1.0	-47.21	425.63	9.39	-37.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(CC2=CC=CC=C2)N=C1	REAL300020262199	1	50	-1.0	-47.22	425.59	9.36	-37.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020262200	0	45	-1.0	-45.52	383.96	3.16	-42.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020262200	1	45	-1.0	-45.53	384.02	3.17	-42.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020262201	0	42	-1.0	-46.20	362.46	2.37	-43.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020262201	1	42	-1.0	-46.22	362.52	2.40	-43.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(CC)CC)CC1	REAL300020262202	0	55	-1.0	-51.03	438.89	5.79	-45.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(CC)CC)CC1	REAL300020262202	1	55	-1.0	-51.02	438.95	5.80	-45.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020262203	0	51	-1.0	-44.20	417.68	6.05	-38.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020262203	1	51	-1.0	-44.27	417.73	6.07	-38.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020262204	0	48	-1.0	-45.73	396.17	5.27	-40.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020262204	1	48	-1.0	-45.77	396.23	5.29	-40.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020262205	0	52	-1.0	-39.66	417.22	8.25	-31.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020262205	1	52	-1.0	-39.62	417.28	8.27	-31.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020262206	0	49	-1.0	-42.07	397.33	7.53	-34.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020262206	1	49	-1.0	-42.07	397.27	7.51	-34.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020262207	0	49	-1.0	-41.81	401.89	6.00	-35.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020262207	1	49	-1.0	-41.82	401.95	6.02	-35.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020262208	0	46	-1.0	-44.28	381.91	5.26	-39.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020262208	1	46	-1.0	-44.26	381.97	5.28	-38.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020262209	0	44	-1.0	-38.96	359.30	5.90	-33.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020262209	1	44	-1.0	-38.93	359.35	5.92	-33.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020262210	0	41	-1.0	-41.20	335.52	5.25	-35.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020262210	1	41	-1.0	-41.18	335.47	5.23	-35.95
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020262211	0	48	-1.0	-41.69	388.35	7.89	-33.80
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020262211	1	48	-1.0	-41.66	388.39	7.88	-33.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020262212	0	56	0.0	-70.72	447.04	10.97	-59.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020262212	1	56	0.0	-70.71	447.10	10.99	-59.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020262213	0	53	0.0	-68.13	425.60	10.19	-57.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020262213	1	53	0.0	-68.15	425.65	10.22	-57.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020262214	0	49	-1.0	-40.84	421.95	8.02	-32.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020262214	1	49	-1.0	-40.83	422.01	8.03	-32.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020262215	0	46	-1.0	-42.14	400.45	7.23	-34.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020262215	1	46	-1.0	-42.17	400.49	7.25	-34.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020262216	0	45	-1.0	-41.24	372.95	4.90	-36.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020262216	1	45	-1.0	-41.20	373.00	4.91	-36.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020262217	0	42	-1.0	-42.68	351.47	4.12	-38.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020262217	1	42	-1.0	-42.71	351.53	4.15	-38.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)CC1	REAL300020262218	0	49	-1.0	-40.93	395.52	4.05	-36.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)CC1	REAL300020262218	1	49	-1.0	-40.96	395.58	4.07	-36.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020262218	1	50	0.0	-64.63	396.36	6.40	-58.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)CC1	REAL300020262219	0	46	-1.0	-43.73	375.38	3.29	-40.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)CC1	REAL300020262219	1	46	-1.0	-43.74	375.44	3.33	-40.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020262219	1	47	0.0	-62.19	372.67	5.74	-56.45
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CCOC)CC1	REAL300020262220	0	53	-1.0	-43.58	425.90	6.09	-37.49
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CCOC)CC1	REAL300020262220	1	53	-1.0	-43.57	425.94	6.08	-37.49
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020262220	1	54	0.0	-70.62	417.11	8.39	-62.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=C(C)C=C2)CC1	REAL300020262221	0	56	-1.0	-41.99	445.62	11.73	-30.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=C(C)C=C2)CC1	REAL300020262221	1	56	-1.0	-41.99	445.66	11.76	-30.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020262222	0	46	-1.0	-46.45	383.35	7.54	-38.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020262222	1	46	-1.0	-46.44	383.41	7.55	-38.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020262223	0	43	-1.0	-45.75	362.13	6.56	-39.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020262223	1	43	-1.0	-45.75	362.07	6.52	-39.23
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020262224	0	50	-1.0	-46.79	405.70	9.41	-37.38
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020262224	1	50	-1.0	-46.78	405.82	9.41	-37.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC	REAL300020262225	0	43	-1.0	-40.54	357.91	5.38	-35.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC	REAL300020262225	1	43	-1.0	-40.49	357.97	5.39	-35.10
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOCC	REAL300020262226	0	47	-1.0	-41.83	389.19	7.46	-34.37
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOCC	REAL300020262226	1	47	-1.0	-41.79	389.24	7.45	-34.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020262227	0	50	-1.0	-44.99	403.56	4.98	-40.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020262227	1	50	-1.0	-45.00	403.61	4.99	-40.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020262228	0	47	-1.0	-46.23	380.43	4.10	-42.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020262228	1	47	-1.0	-46.24	380.47	4.13	-42.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020262229	0	55	-1.0	-40.95	437.65	5.78	-35.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020262229	1	55	-1.0	-40.90	437.71	5.80	-35.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020262229	1	56	0.0	-64.78	438.49	8.11	-56.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020262230	0	52	-1.0	-43.77	417.51	5.03	-38.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020262230	1	52	-1.0	-43.81	417.56	5.05	-38.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020262230	1	53	0.0	-62.33	414.80	7.45	-54.88
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020262231	0	48	-1.0	-39.10	412.68	3.86	-35.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020262231	1	48	-1.0	-39.06	412.74	3.88	-35.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020262232	0	45	-1.0	-40.40	391.45	3.06	-37.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020262232	1	45	-1.0	-40.42	391.50	3.10	-37.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020262233	0	50	-1.0	-41.37	387.59	7.07	-34.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020262233	1	50	-1.0	-41.38	387.64	7.08	-34.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020262234	0	47	-1.0	-42.77	377.05	6.19	-36.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020262234	1	47	-1.0	-42.78	377.12	6.21	-36.57
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1CCOCC1	REAL300020262235	0	54	-1.0	-43.20	413.04	8.97	-34.23
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1CCOCC1	REAL300020262235	1	54	-1.0	-43.20	413.09	8.96	-34.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020262236	0	48	-1.0	-40.90	378.40	7.07	-33.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020262236	1	48	-1.0	-40.87	378.46	7.08	-33.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020262237	0	45	-1.0	-41.54	358.78	6.12	-35.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020262237	1	45	-1.0	-41.56	358.72	6.10	-35.46
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020262238	0	52	-1.0	-41.51	403.19	9.03	-32.48
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020262238	1	52	-1.0	-41.50	403.24	9.02	-32.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020262239	0	54	0.0	-68.00	415.35	7.17	-60.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020262239	1	54	0.0	-67.99	415.29	7.16	-60.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020262240	0	51	0.0	-65.48	389.48	6.16	-59.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020262240	1	51	0.0	-65.47	389.53	6.18	-59.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020262241	0	49	-1.0	-42.39	420.09	8.28	-34.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020262241	1	49	-1.0	-42.38	420.15	8.29	-34.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020262242	0	46	-1.0	-43.71	398.65	7.52	-36.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020262242	1	46	-1.0	-43.68	398.60	7.49	-36.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020262243	0	51	-1.0	-40.60	414.93	8.83	-31.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020262243	1	51	-1.0	-40.57	414.99	8.84	-31.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020262244	0	48	-1.0	-43.33	379.97	7.98	-35.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020262244	1	48	-1.0	-43.31	379.92	7.97	-35.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)C2=CC=C(F)C=C2)C1	REAL300020262245	0	49	-1.0	-48.01	413.42	9.32	-38.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)C2=CC=C(F)C=C2)C1	REAL300020262245	1	49	-1.0	-47.99	413.48	9.35	-38.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020262246	0	48	-1.0	-41.04	402.09	6.37	-34.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020262246	1	48	-1.0	-41.06	402.15	6.39	-34.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020262247	0	45	-1.0	-42.79	386.08	5.55	-37.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020262247	1	45	-1.0	-42.75	386.14	5.58	-37.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])N=C2)CC1	REAL300020262248	0	47	-1.0	-47.30	399.30	6.91	-40.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])N=C2)CC1	REAL300020262248	1	47	-1.0	-47.25	399.25	6.88	-40.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020262249	0	57	0.0	-69.69	435.80	8.11	-61.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020262250	0	54	0.0	-68.72	411.95	7.43	-61.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020262250	1	54	0.0	-68.73	412.00	7.45	-61.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020262251	0	61	0.0	-68.53	462.33	10.80	-57.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020262251	1	61	0.0	-70.40	465.11	10.85	-59.55
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020262251	1	61	0.0	-68.49	462.39	10.81	-57.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020262251	1	61	0.0	-70.42	465.17	10.87	-59.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020262252	0	58	0.0	-67.88	439.54	10.17	-57.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020262252	1	58	0.0	-69.86	443.67	10.09	-59.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020262252	1	58	0.0	-67.87	439.59	10.18	-57.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020262252	1	58	0.0	-69.88	443.73	10.12	-59.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020262253	0	62	0.0	-67.79	453.81	10.88	-56.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020262253	1	62	0.0	-67.85	453.87	10.90	-56.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020262254	0	59	0.0	-66.32	430.53	10.08	-56.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020262254	1	59	0.0	-66.38	430.58	10.09	-56.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020262255	0	43	-1.0	-41.24	384.21	8.89	-32.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020262255	1	43	-1.0	-41.25	384.27	8.90	-32.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020262256	0	40	-1.0	-44.40	365.92	8.26	-36.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020262256	1	40	-1.0	-44.35	365.86	8.23	-36.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020262257	0	51	-1.0	-47.39	424.73	3.65	-43.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020262257	1	51	-1.0	-47.43	424.79	3.67	-43.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020262258	0	48	-1.0	-51.99	402.59	2.87	-49.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020262258	1	48	-1.0	-51.99	402.64	2.90	-49.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020262259	0	53	0.0	-68.80	435.78	10.04	-58.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CC=CS2)CC1	REAL300020262259	1	52	-1.0	-39.38	433.26	7.79	-31.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020262260	0	50	0.0	-66.19	412.00	9.35	-56.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020262260	1	50	0.0	-66.20	412.05	9.38	-56.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020262261	0	53	-1.0	-42.98	433.19	8.40	-34.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020262261	1	53	-1.0	-43.00	433.25	8.41	-34.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020262262	0	50	-1.0	-46.43	407.08	7.78	-38.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020262262	1	50	-1.0	-46.49	407.13	7.80	-38.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020262263	0	50	-1.0	-40.60	398.54	9.98	-30.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020262263	1	50	-1.0	-40.60	398.60	9.99	-30.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020262264	0	47	-1.0	-41.65	371.88	9.31	-32.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020262264	1	47	-1.0	-41.59	371.83	9.30	-32.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020262265	0	42	-1.0	-54.59	366.14	2.86	-51.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020262265	1	42	-1.0	-54.58	366.20	2.87	-51.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020262266	0	39	-1.0	-55.06	347.42	2.19	-52.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020262266	1	39	-1.0	-55.05	347.36	2.16	-52.89
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020262267	0	46	-1.0	-55.56	397.58	4.94	-50.62
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020262267	1	46	-1.0	-55.60	397.63	4.95	-50.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(OC)C=C2)CC1	REAL300020262268	0	52	-1.0	-41.89	419.43	7.71	-34.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(OC)C=C2)CC1	REAL300020262268	1	52	-1.0	-41.91	419.48	7.74	-34.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020262269	0	45	-1.0	-42.47	394.38	8.06	-34.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020262269	1	45	-1.0	-42.50	394.44	8.08	-34.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=N2)CC1	REAL300020262270	0	49	-1.0	-47.17	407.36	3.22	-43.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=N2)CC1	REAL300020262270	1	49	-1.0	-47.16	407.30	3.20	-43.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020262271	0	49	-1.0	-41.88	410.92	8.24	-33.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020262271	1	49	-1.0	-41.88	410.98	8.26	-33.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020262272	0	46	-1.0	-43.25	395.73	7.83	-35.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020262272	1	46	-1.0	-43.30	395.79	7.85	-35.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020262273	0	55	-1.0	-40.30	438.19	9.55	-30.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020262273	1	55	-1.0	-40.26	438.24	9.56	-30.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020262274	0	52	-1.0	-42.67	410.53	8.89	-33.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020262274	1	52	-1.0	-42.67	410.58	8.91	-33.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C2(CCCCC2)C1	REAL300020262275	0	57	-1.0	-47.01	422.41	8.73	-38.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C2(CCCCC2)C1	REAL300020262275	1	57	-1.0	-47.00	422.46	8.75	-38.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C2(CCCCC2)C1	REAL300020262276	0	54	-1.0	-49.67	398.58	7.92	-41.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C2(CCCCC2)C1	REAL300020262276	1	54	-1.0	-49.71	398.64	7.95	-41.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020262277	0	45	-1.0	-41.00	391.35	8.01	-32.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020262277	1	45	-1.0	-40.96	391.41	8.02	-32.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020262278	0	42	-1.0	-41.18	371.98	6.83	-34.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020262278	1	42	-1.0	-41.17	372.03	6.86	-34.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020262279	0	55	-1.0	-39.88	431.17	10.22	-29.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020262279	1	55	-1.0	-39.89	431.23	10.24	-29.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020262280	0	52	-1.0	-41.54	401.39	9.57	-31.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020262280	1	52	-1.0	-41.55	401.44	9.58	-31.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)C2(CCCCC2)C1	REAL300020262281	0	50	-1.0	-47.33	397.45	5.40	-41.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)C2(CCCCC2)C1	REAL300020262281	1	50	-1.0	-47.39	397.51	5.43	-41.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(OC)C(F)=C2)CC1	REAL300020262282	0	50	-1.0	-44.39	411.58	6.19	-38.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(OC)C(F)=C2)CC1	REAL300020262282	1	50	-1.0	-44.44	411.64	6.21	-38.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020262283	0	49	-1.0	-42.59	395.01	5.79	-36.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020262283	1	49	-1.0	-42.56	395.07	5.80	-36.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020262284	0	46	-1.0	-45.27	375.40	4.64	-40.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020262284	1	46	-1.0	-45.26	375.46	4.66	-40.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1	REAL300020262285	0	43	-1.0	-41.62	340.18	7.16	-34.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1	REAL300020262285	1	43	-1.0	-41.62	340.23	7.17	-34.45
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)C1	REAL300020262286	0	47	-1.0	-43.05	368.82	9.13	-33.92
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)C1	REAL300020262286	1	47	-1.0	-43.03	368.84	9.12	-33.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020262287	0	44	-1.0	-39.24	357.26	7.56	-31.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020262287	1	44	-1.0	-39.19	357.31	7.58	-31.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020262288	0	41	-1.0	-43.15	323.96	7.22	-35.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020262288	1	41	-1.0	-43.14	323.92	7.21	-35.93
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020262289	0	48	-1.0	-42.93	375.38	9.58	-33.35
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020262289	1	48	-1.0	-42.97	375.40	9.57	-33.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020262290	0	51	-1.0	-41.69	418.72	10.76	-30.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020262290	1	51	-1.0	-41.71	418.77	10.78	-30.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020262291	0	48	-1.0	-44.70	398.94	10.02	-34.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020262291	1	48	-1.0	-44.73	399.00	10.04	-34.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020262292	0	50	-1.0	-41.38	417.82	8.42	-32.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020262292	1	50	-1.0	-41.40	417.88	8.44	-32.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020262293	0	47	-1.0	-43.36	398.95	7.74	-35.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020262293	1	47	-1.0	-43.35	399.01	7.77	-35.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL300020262294	0	40	-1.0	-44.32	336.77	6.73	-37.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL300020262294	1	40	-1.0	-44.36	336.81	6.75	-37.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020262295	0	43	-1.0	-41.03	377.47	8.99	-32.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020262295	1	43	-1.0	-41.01	377.53	9.01	-32.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020262296	0	40	-1.0	-42.24	360.70	8.39	-33.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020262296	1	40	-1.0	-42.24	360.64	8.37	-33.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020262297	0	51	-1.0	-41.45	409.58	7.09	-34.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020262297	1	51	-1.0	-41.42	409.64	7.11	-34.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020262298	0	48	-1.0	-44.63	389.61	6.36	-38.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020262298	1	48	-1.0	-44.60	389.67	6.38	-38.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020262299	0	51	-1.0	-48.13	413.89	6.22	-41.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020262299	1	51	-1.0	-48.10	413.94	6.24	-41.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020262300	0	48	-1.0	-49.03	393.19	5.25	-43.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020262300	1	48	-1.0	-49.01	393.24	5.28	-43.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020262301	0	38	-1.0	-44.47	329.28	6.38	-38.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020262301	1	38	-1.0	-44.49	329.33	6.39	-38.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020262302	0	35	-1.0	-49.75	303.16	5.67	-44.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020262302	1	35	-1.0	-49.80	303.10	5.65	-44.15
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020262303	0	42	-1.0	-46.54	358.07	8.35	-38.19
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020262303	1	42	-1.0	-46.55	358.13	8.35	-38.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020262304	0	50	-1.0	-41.17	399.69	7.57	-33.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020262304	1	50	-1.0	-41.15	399.75	7.58	-33.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020262305	0	47	-1.0	-42.10	378.19	6.78	-35.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020262305	1	47	-1.0	-42.11	378.25	6.81	-35.30
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020262306	0	54	-1.0	-42.71	428.61	9.53	-33.18
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020262306	1	54	-1.0	-42.69	428.67	9.52	-33.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(CC(F)F)N=C2C1	REAL300020262307	0	44	-1.0	-48.15	373.42	5.97	-42.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(CC(F)F)N=C2C1	REAL300020262307	1	44	-1.0	-48.13	373.48	6.00	-42.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CC3=C(Cl)C=CC=C32)C1	REAL300020262308	0	45	-1.0	-44.01	382.44	9.58	-34.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CC3=C(Cl)C=CC=C32)C1	REAL300020262308	1	45	-1.0	-43.95	382.38	9.56	-34.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CC3=CC=C(Cl)C=C32)C1	REAL300020262309	0	45	-1.0	-43.92	382.30	9.57	-34.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CC3=CC=C(Cl)C=C32)C1	REAL300020262309	1	45	-1.0	-43.90	382.24	9.54	-34.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(F)(F)F)=C1	REAL300020262310	0	44	-1.0	-40.86	389.04	7.39	-33.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(F)(F)F)=C1	REAL300020262310	1	44	-1.0	-40.87	389.10	7.42	-33.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020262311	0	55	-1.0	-38.46	427.10	10.01	-28.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020262311	1	55	-1.0	-38.47	427.16	10.03	-28.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020262312	0	52	-1.0	-41.15	402.62	9.55	-31.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020262312	1	52	-1.0	-41.12	402.66	9.56	-31.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(OC)=C2)CC1	REAL300020262313	0	52	-1.0	-44.47	422.57	9.22	-35.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(OC)=C2)CC1	REAL300020262313	1	52	-1.0	-44.47	422.62	9.25	-35.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020262314	0	52	-1.0	-38.46	405.18	9.20	-29.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020262314	1	52	-1.0	-38.47	405.23	9.22	-29.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020262315	0	49	-1.0	-40.61	381.20	8.55	-32.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020262315	1	49	-1.0	-40.54	381.25	8.56	-31.98
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020262316	0	56	-1.0	-41.77	430.73	11.40	-30.37
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020262316	1	56	-1.0	-41.76	430.76	11.39	-30.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020262317	0	50	-1.0	-38.36	402.51	7.43	-30.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020262317	1	50	-1.0	-38.41	402.56	7.44	-30.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020262318	0	47	-1.0	-40.23	373.34	6.56	-33.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020262318	1	47	-1.0	-40.19	373.39	6.58	-33.61
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020262319	0	54	-1.0	-41.79	422.63	9.42	-32.37
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020262319	1	54	-1.0	-41.73	422.66	9.41	-32.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020262320	0	40	-1.0	-40.01	346.00	6.43	-33.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020262320	1	40	-1.0	-39.99	346.06	6.44	-33.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020262321	0	37	-1.0	-43.41	322.15	5.73	-37.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020262321	1	37	-1.0	-43.43	322.09	5.71	-37.72
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=COC=C1	REAL300020262322	0	44	-1.0	-43.02	367.92	8.43	-34.59
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=COC=C1	REAL300020262322	1	44	-1.0	-43.04	367.93	8.41	-34.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020262323	0	52	0.0	-61.65	394.67	7.94	-53.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020262323	1	52	0.0	-61.68	394.72	7.95	-53.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020262324	0	49	0.0	-59.33	373.28	7.18	-52.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020262324	1	49	0.0	-59.33	373.22	7.16	-52.17
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020262325	0	56	0.0	-66.61	413.42	9.94	-56.67
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020262325	1	56	0.0	-66.51	413.46	9.92	-56.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020262326	0	48	-1.0	-44.71	399.31	6.04	-38.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020262326	1	48	-1.0	-44.73	399.36	6.05	-38.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020262327	0	45	-1.0	-46.50	377.33	5.24	-41.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020262327	1	45	-1.0	-46.50	377.39	5.27	-41.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020262328	0	48	-1.0	-41.38	395.72	5.93	-35.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020262328	1	48	-1.0	-41.39	395.78	5.94	-35.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020262329	0	45	-1.0	-42.21	370.91	5.26	-36.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020262329	1	45	-1.0	-42.23	370.97	5.27	-36.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020262330	0	48	-1.0	-40.80	404.19	5.18	-35.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020262330	1	48	-1.0	-40.78	404.25	5.19	-35.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020262331	0	45	-1.0	-45.13	386.02	4.12	-41.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020262331	1	45	-1.0	-45.13	386.08	4.15	-40.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(C)S2)CC1	REAL300020262332	0	48	-1.0	-47.45	408.15	7.23	-40.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(C)S2)CC1	REAL300020262332	1	48	-1.0	-47.44	408.20	7.25	-40.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020262333	0	46	-1.0	-41.77	392.45	9.24	-32.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020262333	1	46	-1.0	-41.78	392.51	9.26	-32.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020262334	0	43	-1.0	-44.32	370.76	8.47	-35.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020262334	1	43	-1.0	-44.30	370.70	8.45	-35.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020262335	0	45	-1.0	-40.17	349.58	7.84	-32.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020262335	1	45	-1.0	-40.15	349.64	7.85	-32.30
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020262336	0	49	-1.0	-42.58	384.27	8.76	-33.82
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020262336	1	49	-1.0	-42.50	384.32	8.75	-33.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020262337	0	47	-1.0	-40.29	377.43	6.52	-33.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020262337	1	47	-1.0	-40.28	377.48	6.53	-33.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020262338	0	44	-1.0	-42.98	355.67	5.83	-37.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020262338	1	44	-1.0	-42.96	355.61	5.80	-37.16
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCCO1	REAL300020262339	0	51	-1.0	-42.32	401.92	8.67	-33.65
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCCO1	REAL300020262339	1	51	-1.0	-42.28	401.95	8.66	-33.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020262340	0	44	-1.0	-41.88	373.74	4.64	-37.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020262340	1	44	-1.0	-41.90	373.80	4.66	-37.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020262341	0	41	-1.0	-42.40	351.30	3.84	-38.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020262341	1	41	-1.0	-42.40	351.36	3.86	-38.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020262342	0	47	-1.0	-47.63	399.19	5.15	-42.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020262342	1	47	-1.0	-47.64	399.25	5.17	-42.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020262343	0	44	-1.0	-47.73	373.38	4.43	-43.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020262343	1	44	-1.0	-47.75	373.34	4.42	-43.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCCCCC	REAL300020262344	0	57	-1.0	-38.63	455.96	10.88	-27.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCCCCC	REAL300020262344	1	57	-1.0	-38.67	456.02	10.89	-27.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCCCCC	REAL300020262345	0	54	-1.0	-41.65	434.21	10.08	-31.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCCCCC	REAL300020262345	1	54	-1.0	-41.65	434.28	10.10	-31.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020262346	0	43	-1.0	-41.24	357.67	7.18	-34.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020262346	1	43	-1.0	-41.26	357.73	7.19	-34.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020262347	0	40	-1.0	-43.48	339.84	6.51	-36.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020262347	1	40	-1.0	-43.53	339.78	6.48	-37.05
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020262348	0	47	-1.0	-42.74	390.77	9.22	-33.52
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020262348	1	47	-1.0	-42.71	390.83	9.21	-33.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020262349	0	53	-1.0	-39.68	415.81	7.98	-31.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020262349	1	53	-1.0	-39.75	415.87	7.99	-31.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020262350	0	50	-1.0	-41.04	392.99	7.38	-33.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020262350	1	50	-1.0	-41.04	393.04	7.39	-33.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(C)=CC=C2C)CC1	REAL300020262351	0	54	-1.0	-41.12	431.94	9.91	-31.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(C)=CC=C2C)CC1	REAL300020262351	1	54	-1.0	-41.16	431.98	9.94	-31.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300020262352	0	48	-1.0	-49.98	397.42	8.89	-41.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300020262352	1	48	-1.0	-50.01	397.47	8.92	-41.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020262353	0	55	-1.0	-38.61	440.87	10.70	-27.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020262353	1	55	-1.0	-38.60	440.92	10.72	-27.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020262354	0	52	-1.0	-41.94	419.30	9.95	-31.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020262354	1	52	-1.0	-41.92	419.24	9.92	-32.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020262355	0	43	-1.0	-40.48	367.83	8.31	-32.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020262355	1	43	-1.0	-40.50	367.89	8.33	-32.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020262356	0	40	-1.0	-41.57	349.51	7.69	-33.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020262356	1	40	-1.0	-41.52	349.45	7.67	-33.85
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020262357	0	47	-1.0	-42.10	393.62	10.51	-31.59
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020262357	1	47	-1.0	-42.12	393.66	10.50	-31.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020262358	0	46	-1.0	-39.44	379.17	9.22	-30.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020262358	1	46	-1.0	-39.45	379.23	9.24	-30.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020262359	0	43	-1.0	-43.49	356.40	8.29	-35.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020262359	1	43	-1.0	-43.50	356.34	8.27	-35.23
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020262360	0	50	-1.0	-42.02	405.70	11.05	-30.97
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020262360	1	50	-1.0	-41.99	405.74	11.04	-30.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020262361	0	47	-1.0	-41.33	403.91	7.96	-33.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020262361	1	47	-1.0	-41.37	403.97	7.98	-33.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020262362	0	44	-1.0	-44.71	382.36	7.20	-37.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020262362	1	44	-1.0	-44.69	382.29	7.18	-37.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020262363	0	52	-1.0	-38.67	424.89	10.31	-28.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020262363	1	52	-1.0	-38.68	424.94	10.33	-28.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020262364	0	49	-1.0	-41.86	403.32	9.55	-32.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020262364	1	49	-1.0	-41.88	403.26	9.53	-32.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020262365	0	55	-1.0	-39.22	438.99	9.06	-30.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020262365	1	55	-1.0	-39.21	439.05	9.07	-30.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020262366	0	52	-1.0	-41.63	419.81	8.15	-33.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020262366	1	52	-1.0	-41.65	419.87	8.17	-33.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)C=C1	REAL300020262367	0	40	-1.0	-40.83	364.35	8.22	-32.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)C=C1	REAL300020262367	1	40	-1.0	-40.83	364.40	8.25	-32.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020262368	0	43	-1.0	-39.61	370.04	8.96	-30.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020262368	1	43	-1.0	-39.58	370.10	8.97	-30.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020262369	0	40	-1.0	-40.92	359.83	8.14	-32.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020262369	1	40	-1.0	-40.93	359.78	8.12	-32.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020262370	0	51	-1.0	-41.57	417.03	9.12	-32.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020262370	1	51	-1.0	-41.56	417.08	9.13	-32.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020262371	0	48	-1.0	-44.69	391.36	8.43	-36.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020262371	1	48	-1.0	-44.67	391.31	8.40	-36.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020262372	0	54	0.0	-68.05	422.32	10.78	-57.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020262372	1	54	0.0	-68.09	422.37	10.79	-57.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020262373	0	49	0.0	-62.74	375.51	8.03	-54.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020262373	1	49	0.0	-62.87	375.56	8.03	-54.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)C(C)C1	REAL300020262373	1	48	-1.0	-38.88	371.27	5.23	-33.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)C(C)C1	REAL300020262373	1	48	-1.0	-38.89	371.33	5.24	-33.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020262374	0	46	0.0	-59.21	357.19	7.00	-52.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020262374	1	46	0.0	-60.42	356.26	7.07	-53.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020262374	1	46	0.0	-59.16	357.14	6.98	-52.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020262374	1	46	0.0	-60.43	356.21	7.05	-53.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)C(C)C1	REAL300020262374	1	45	-1.0	-42.11	356.66	4.91	-37.20
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020262375	0	53	0.0	-70.88	393.49	9.09	-61.79
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020262375	1	53	0.0	-67.74	403.60	9.78	-57.96
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC)C(C)C1	REAL300020262375	1	52	-1.0	-41.30	396.69	7.21	-34.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020262376	0	51	-1.0	-50.60	406.06	7.45	-43.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020262376	1	51	-1.0	-50.61	406.12	7.46	-43.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020262377	0	48	-1.0	-54.79	384.31	6.77	-48.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020262377	1	48	-1.0	-54.82	384.37	6.79	-48.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(O)C2=CC=C(F)C=C2)CC1	REAL300020262378	0	51	-1.0	-43.74	410.51	7.34	-36.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(O)C2=CC=C(F)C=C2)CC1	REAL300020262378	1	51	-1.0	-43.78	410.55	7.36	-36.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020262379	0	47	-1.0	-40.15	379.43	6.54	-33.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020262379	1	47	-1.0	-40.18	379.49	6.56	-33.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020262380	0	44	-1.0	-40.85	353.62	5.83	-35.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020262380	1	44	-1.0	-40.83	353.57	5.82	-35.01
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCOCC1	REAL300020262381	0	51	-1.0	-43.58	402.53	8.61	-34.97
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCOCC1	REAL300020262381	1	51	-1.0	-43.63	402.58	8.58	-35.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(=C)C1	REAL300020262382	0	41	-1.0	-39.96	330.83	7.21	-32.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(=C)C1	REAL300020262382	1	41	-1.0	-39.98	330.88	7.22	-32.76
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(=C)C1	REAL300020262383	0	45	-1.0	-41.76	356.52	9.13	-32.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(=C)C1	REAL300020262383	1	45	-1.0	-41.66	356.55	9.12	-32.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(CC)S(C)(=O)=O)CC1	REAL300020262384	0	51	-1.0	-49.00	403.14	4.60	-44.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(CC)S(C)(=O)=O)CC1	REAL300020262384	1	51	-1.0	-49.03	403.18	4.62	-44.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)S(=O)(=O)CC)CC1	REAL300020262385	0	51	-1.0	-47.53	417.54	4.82	-42.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)S(=O)(=O)CC)CC1	REAL300020262385	1	51	-1.0	-47.57	417.59	4.83	-42.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC	REAL300020262386	0	45	-1.0	-40.11	361.79	7.65	-32.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC	REAL300020262386	1	45	-1.0	-40.15	361.85	7.66	-32.49
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)CC	REAL300020262387	0	49	-1.0	-41.33	393.41	9.72	-31.61
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)CC	REAL300020262387	1	49	-1.0	-41.24	393.45	9.71	-31.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020262388	0	44	-1.0	-42.65	368.73	7.73	-34.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020262388	1	44	-1.0	-42.65	368.79	7.75	-34.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020262389	0	41	-1.0	-44.37	345.07	7.01	-37.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020262389	1	41	-1.0	-44.40	345.03	6.98	-37.42
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020262390	0	48	-1.0	-43.36	387.27	9.03	-34.33
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020262390	1	48	-1.0	-43.37	387.31	9.01	-34.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020262391	0	49	-1.0	-42.03	417.45	9.35	-32.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020262391	1	49	-1.0	-42.02	417.50	9.36	-32.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020262392	0	46	-1.0	-44.87	393.64	8.68	-36.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020262392	1	46	-1.0	-44.94	393.68	8.69	-36.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	REAL300020262393	0	54	-1.0	-45.23	421.27	7.25	-37.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	REAL300020262393	1	54	-1.0	-45.22	421.33	7.27	-37.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	REAL300020262394	0	54	-1.0	-40.99	405.37	6.67	-34.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	REAL300020262394	1	54	-1.0	-40.99	405.42	6.68	-34.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020262395	0	50	-1.0	-41.02	421.86	10.86	-30.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020262395	1	50	-1.0	-41.02	421.92	10.87	-30.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020262396	0	47	-1.0	-41.58	396.65	10.17	-31.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020262396	1	47	-1.0	-41.58	396.70	10.19	-31.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C(C)C1	REAL300020262397	0	54	-1.0	-42.67	425.17	7.08	-35.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C(C)C1	REAL300020262397	1	54	-1.0	-42.70	425.23	7.11	-35.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020262398	0	47	-1.0	-41.68	385.62	9.44	-32.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020262398	1	47	-1.0	-41.66	385.68	9.46	-32.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020262399	0	44	-1.0	-45.64	361.66	8.65	-36.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020262399	1	44	-1.0	-45.62	361.60	8.63	-36.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020262400	0	47	-1.0	-39.94	392.34	9.52	-30.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020262400	1	47	-1.0	-39.97	392.40	9.53	-30.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020262401	0	44	-1.0	-41.52	366.57	8.83	-32.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020262401	1	44	-1.0	-41.51	366.53	8.82	-32.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020262402	0	54	-1.0	-42.22	434.62	9.64	-32.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020262402	1	54	-1.0	-42.25	434.68	9.65	-32.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020262403	0	51	-1.0	-42.43	410.14	8.74	-33.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020262403	1	51	-1.0	-42.43	410.19	8.77	-33.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020262404	0	52	-1.0	-38.46	396.18	8.67	-29.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020262404	1	52	-1.0	-38.47	396.23	8.69	-29.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020262405	0	49	-1.0	-40.62	372.43	8.03	-32.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020262405	1	49	-1.0	-40.57	372.39	8.00	-32.57
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020262406	0	56	-1.0	-41.54	424.58	10.86	-30.68
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020262406	1	56	-1.0	-41.56	424.61	10.85	-30.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020262407	0	56	-1.0	-40.21	447.09	11.56	-28.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020262407	1	56	-1.0	-40.19	447.15	11.58	-28.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020262408	0	53	-1.0	-42.65	423.35	10.89	-31.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020262408	1	53	-1.0	-42.69	423.40	10.91	-31.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020262409	0	49	-1.0	-41.10	403.15	8.34	-32.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020262409	1	49	-1.0	-41.09	403.20	8.35	-32.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020262410	0	46	-1.0	-42.42	392.94	7.58	-34.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020262410	1	46	-1.0	-42.46	392.89	7.56	-34.90
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1	REAL300020262411	0	44	-1.0	-42.95	352.63	8.68	-34.27
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1	REAL300020262411	1	44	-1.0	-42.92	352.69	8.67	-34.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020262412	0	47	-1.0	-41.67	356.07	7.97	-33.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020262412	1	47	-1.0	-41.70	356.12	7.99	-33.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020262413	0	44	-1.0	-44.82	338.42	7.35	-37.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020262413	1	44	-1.0	-44.80	338.36	7.33	-37.47
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020262414	0	51	-1.0	-43.06	388.40	10.09	-32.97
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020262414	1	51	-1.0	-43.09	388.42	10.08	-33.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020262415	0	56	0.0	-69.29	446.21	10.69	-58.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020262415	1	56	0.0	-62.49	434.59	10.83	-51.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020262415	1	56	0.0	-69.39	446.26	10.72	-58.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020262415	1	56	0.0	-62.48	434.64	10.86	-51.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020262416	0	47	-1.0	-39.01	382.62	6.41	-32.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020262416	1	47	-1.0	-39.05	382.67	6.42	-32.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020262417	0	44	-1.0	-41.42	361.29	5.64	-35.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020262417	1	44	-1.0	-41.39	361.23	5.62	-35.77
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020262418	0	51	-1.0	-41.34	411.50	8.42	-32.92
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020262418	1	51	-1.0	-41.32	411.56	8.41	-32.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)S2)C1	REAL300020262419	0	42	-1.0	-42.89	386.23	7.01	-35.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)S2)C1	REAL300020262419	1	42	-1.0	-42.93	386.29	7.03	-35.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(S(C)(=O)=O)C=C1	REAL300020262420	0	46	-1.0	-48.72	403.74	5.12	-43.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(S(C)(=O)=O)C=C1	REAL300020262420	1	46	-1.0	-48.77	403.81	5.15	-43.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020262421	0	55	-1.0	-39.65	441.44	9.17	-30.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020262421	1	55	-1.0	-39.68	441.50	9.19	-30.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020262422	0	52	-1.0	-41.90	417.71	8.50	-33.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020262422	1	52	-1.0	-41.86	417.75	8.53	-33.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020262423	0	50	-1.0	-44.34	395.05	6.98	-37.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020262423	1	50	-1.0	-44.29	395.11	6.99	-37.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020262424	0	47	-1.0	-48.14	373.38	6.36	-41.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020262424	1	47	-1.0	-48.14	373.33	6.34	-41.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020262425	0	52	-1.0	-41.32	419.46	9.26	-32.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020262425	1	52	-1.0	-41.33	419.52	9.27	-32.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020262426	0	49	-1.0	-42.93	395.80	8.61	-34.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020262426	1	49	-1.0	-42.91	395.75	8.59	-34.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020262427	0	43	-1.0	-53.81	370.33	3.51	-50.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020262427	1	43	-1.0	-53.80	370.39	3.53	-50.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020262428	0	40	-1.0	-55.26	348.89	2.74	-52.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020262428	1	40	-1.0	-55.27	348.83	2.72	-52.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020262429	0	44	-1.0	-41.86	367.24	7.51	-34.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020262429	1	44	-1.0	-41.90	367.29	7.53	-34.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020262430	0	41	-1.0	-43.97	345.79	6.76	-37.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020262430	1	41	-1.0	-43.97	345.73	6.73	-37.24
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020262431	0	48	-1.0	-43.20	395.66	9.47	-33.73
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020262431	1	48	-1.0	-43.10	395.71	9.47	-33.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020262432	0	45	-1.0	-39.65	365.33	6.43	-33.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020262432	1	45	-1.0	-39.63	365.39	6.45	-33.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020262433	0	42	-1.0	-41.54	344.48	5.43	-36.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020262433	1	42	-1.0	-41.50	344.42	5.40	-36.10
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020262434	0	49	-1.0	-41.69	385.83	8.21	-33.48
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020262434	1	49	-1.0	-41.61	385.83	8.20	-33.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020262435	0	47	-1.0	-40.72	396.35	7.30	-33.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020262435	1	47	-1.0	-40.64	396.29	7.28	-33.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020262436	0	44	-1.0	-43.02	376.40	6.56	-36.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020262436	1	44	-1.0	-42.99	376.34	6.53	-36.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CC)C1	REAL300020262437	0	47	-1.0	-40.68	373.83	6.55	-34.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CC)C1	REAL300020262437	1	47	-1.0	-40.69	373.89	6.57	-34.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CC)C1	REAL300020262438	0	44	-1.0	-41.80	352.17	5.79	-36.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CC)C1	REAL300020262438	1	44	-1.0	-41.74	352.12	5.76	-35.98
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(CC)C1	REAL300020262439	0	51	-1.0	-42.19	402.54	8.51	-33.68
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(CC)C1	REAL300020262439	1	51	-1.0	-42.21	402.58	8.51	-33.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020262440	0	46	-1.0	-49.01	386.10	4.24	-44.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020262440	1	46	-1.0	-49.05	386.15	4.25	-44.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020262441	0	43	-1.0	-52.10	362.28	3.58	-48.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020262441	1	43	-1.0	-52.12	362.32	3.59	-48.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020262442	0	51	-1.0	-41.65	401.74	5.57	-36.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020262442	1	51	-1.0	-41.69	401.80	5.58	-36.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020262443	0	48	-1.0	-42.40	395.24	5.23	-37.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020262443	1	48	-1.0	-42.42	395.30	5.25	-37.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(CC)=NS2)CC1	REAL300020262444	0	47	-1.0	-42.48	403.35	5.77	-36.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(CC)=NS2)CC1	REAL300020262444	1	47	-1.0	-42.46	403.41	5.79	-36.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020262445	0	45	-1.0	-54.13	387.61	3.74	-50.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020262445	1	45	-1.0	-54.06	387.66	3.76	-50.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020262446	0	42	-1.0	-54.48	368.83	3.05	-51.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020262446	1	42	-1.0	-54.46	368.89	3.07	-51.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020262447	0	45	-1.0	-43.54	366.52	5.97	-37.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020262447	1	45	-1.0	-43.54	366.57	5.98	-37.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020262448	0	42	-1.0	-45.37	338.87	5.34	-40.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020262448	1	42	-1.0	-45.39	338.81	5.32	-40.07
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020262449	0	49	-1.0	-45.41	389.29	8.13	-37.28
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020262449	1	49	-1.0	-45.39	389.33	8.12	-37.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020262450	0	45	-1.0	-40.76	392.24	7.18	-33.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020262450	1	45	-1.0	-40.74	392.30	7.19	-33.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020262451	0	42	-1.0	-44.46	367.81	6.54	-37.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020262451	1	42	-1.0	-44.49	367.75	6.52	-37.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020262452	0	43	-1.0	-45.23	346.89	4.59	-40.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020262452	1	43	-1.0	-45.26	346.95	4.61	-40.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020262453	0	40	-1.0	-47.75	339.54	4.32	-43.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020262453	1	40	-1.0	-47.73	339.48	4.30	-43.43
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020262454	0	47	-1.0	-49.13	383.40	7.15	-41.98
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020262454	1	47	-1.0	-49.10	383.44	7.14	-41.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020262455	0	43	-1.0	-40.98	366.03	7.70	-33.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020262455	1	43	-1.0	-41.00	366.08	7.71	-33.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020262456	0	40	-1.0	-43.56	344.53	6.90	-36.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020262456	1	40	-1.0	-43.53	344.59	6.93	-36.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020262457	0	47	-1.0	-39.90	397.37	8.55	-31.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020262457	1	47	-1.0	-39.87	397.43	8.57	-31.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020262458	0	44	-1.0	-42.67	376.13	7.74	-34.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020262458	1	44	-1.0	-42.67	376.08	7.71	-34.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCOC)CC1	REAL300020262459	0	54	-1.0	-43.78	440.22	4.76	-39.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCOC)CC1	REAL300020262459	1	54	-1.0	-43.75	440.27	4.78	-38.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCOC)CC1	REAL300020262460	0	51	-1.0	-47.56	415.73	4.30	-43.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCOC)CC1	REAL300020262460	1	51	-1.0	-47.55	415.78	4.32	-43.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020262461	0	54	-1.0	-42.16	426.83	5.83	-36.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020262461	1	54	-1.0	-42.18	426.89	5.84	-36.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020262462	0	51	-1.0	-43.11	400.11	5.16	-37.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020262462	1	51	-1.0	-43.15	400.16	5.17	-37.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC(C)CC)CC1	REAL300020262463	0	55	-1.0	-50.92	442.26	4.58	-46.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC(C)CC)CC1	REAL300020262463	1	55	-1.0	-50.92	442.32	4.61	-46.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NCC)CC1	REAL300020262464	0	52	-1.0	-48.26	422.67	3.60	-44.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NCC)CC1	REAL300020262464	1	52	-1.0	-48.28	422.73	3.62	-44.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NCC)CC1	REAL300020262465	0	49	-1.0	-51.05	401.00	2.80	-48.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NCC)CC1	REAL300020262465	1	49	-1.0	-51.05	401.06	2.83	-48.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCCCC)CC1	REAL300020262466	0	56	-1.0	-46.87	446.63	7.53	-39.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCCCC)CC1	REAL300020262466	1	56	-1.0	-46.85	446.68	7.55	-39.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020262467	0	47	-1.0	-42.54	387.13	5.01	-37.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020262467	1	47	-1.0	-42.51	387.19	5.03	-37.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020262468	0	44	-1.0	-44.98	367.34	4.28	-40.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020262468	1	44	-1.0	-45.01	367.28	4.26	-40.75
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020262469	0	51	-1.0	-45.39	410.91	7.15	-38.24
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020262469	1	51	-1.0	-45.39	411.04	7.13	-38.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)OCC)C1	REAL300020262470	0	51	-1.0	-41.97	421.57	5.44	-36.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)OCC)C1	REAL300020262470	1	51	-1.0	-41.96	421.63	5.45	-36.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)OCC)C1	REAL300020262471	0	48	-1.0	-43.01	399.98	4.64	-38.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)OCC)C1	REAL300020262471	1	48	-1.0	-43.02	400.04	4.66	-38.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020262472	0	46	-1.0	-40.32	386.88	9.21	-31.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020262472	1	46	-1.0	-40.31	386.94	9.22	-31.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020262473	0	43	-1.0	-43.25	365.18	8.44	-34.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020262473	1	43	-1.0	-43.27	365.13	8.42	-34.85
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020262474	0	50	-1.0	-43.57	401.12	11.19	-32.38
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020262474	1	50	-1.0	-43.53	401.16	11.18	-32.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020262475	0	56	0.0	-63.36	418.50	9.28	-54.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020262475	1	56	0.0	-63.34	418.56	9.30	-54.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020262476	0	53	0.0	-62.07	393.94	8.83	-53.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020262476	1	53	0.0	-62.11	393.99	8.84	-53.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020262477	0	55	-1.0	-39.80	434.15	8.79	-31.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020262477	1	55	-1.0	-39.78	434.21	8.80	-30.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020262478	0	52	-1.0	-42.29	414.26	8.04	-34.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020262478	1	52	-1.0	-42.29	414.32	8.07	-34.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020262479	0	50	-1.0	-46.14	415.85	8.51	-37.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020262479	1	50	-1.0	-46.17	415.91	8.53	-37.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020262480	0	47	-1.0	-48.86	399.85	7.70	-41.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020262480	1	47	-1.0	-48.86	399.90	7.72	-41.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020262481	0	53	0.0	-63.19	407.84	9.05	-54.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020262481	1	53	0.0	-63.21	407.78	9.04	-54.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020262482	0	50	0.0	-60.57	384.06	8.37	-52.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020262482	1	50	0.0	-60.61	384.10	8.39	-52.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020262483	0	59	0.0	-66.53	444.17	10.52	-56.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020262483	1	59	0.0	-66.51	444.22	10.54	-55.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020262484	0	56	0.0	-63.37	420.60	9.88	-53.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020262484	1	56	0.0	-63.37	420.65	9.89	-53.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020262485	0	49	0.0	-62.15	380.89	7.69	-54.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)CC1	REAL300020262485	1	48	-1.0	-38.72	378.19	5.47	-33.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020262485	1	48	-1.0	-38.75	378.25	5.48	-33.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020262486	0	46	0.0	-59.77	357.15	7.03	-52.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020262486	1	46	0.0	-59.75	357.10	7.01	-52.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020262486	1	45	-1.0	-41.47	355.31	4.55	-36.92
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020262487	0	53	0.0	-68.46	397.22	9.47	-58.99
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)C)CC1	REAL300020262487	1	52	-1.0	-41.20	405.49	7.29	-33.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC	REAL300020262488	0	44	-1.0	-41.99	367.33	6.49	-35.50
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC	REAL300020262488	1	44	-1.0	-41.97	367.38	6.48	-35.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC	REAL300020262489	0	46	-1.0	-39.67	364.29	6.97	-32.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC	REAL300020262489	1	46	-1.0	-39.67	364.35	6.98	-32.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC	REAL300020262490	0	43	-1.0	-41.87	340.55	6.37	-35.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC	REAL300020262490	1	43	-1.0	-41.85	340.50	6.35	-35.50
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1CC	REAL300020262491	0	50	-1.0	-42.44	394.70	9.01	-33.43
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1CC	REAL300020262491	1	50	-1.0	-42.42	394.65	9.00	-33.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020262492	0	42	-1.0	-40.75	360.13	6.85	-33.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020262492	1	42	-1.0	-40.72	360.18	6.87	-33.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020262493	0	39	-1.0	-42.94	338.69	6.09	-36.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020262493	1	39	-1.0	-42.96	338.63	6.06	-36.90
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020262494	0	46	-1.0	-43.38	383.05	8.99	-34.39
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020262494	1	46	-1.0	-43.31	383.09	8.98	-34.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020262495	0	43	-1.0	-40.48	338.84	7.03	-33.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020262495	1	43	-1.0	-40.50	338.90	7.05	-33.45
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCC1	REAL300020262496	0	47	-1.0	-41.88	367.74	9.01	-32.87
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCC1	REAL300020262496	1	47	-1.0	-41.84	367.75	9.00	-32.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020262497	0	46	-1.0	-41.63	370.79	9.11	-32.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020262497	1	46	-1.0	-41.62	370.85	9.13	-32.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020262498	0	43	-1.0	-41.49	352.44	7.77	-33.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020262498	1	43	-1.0	-41.50	352.39	7.75	-33.75
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020262499	0	50	-1.0	-41.05	394.74	11.26	-29.79
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020262499	1	50	-1.0	-41.06	394.79	11.26	-29.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020262500	0	40	-1.0	-41.84	338.46	8.76	-33.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020262500	1	40	-1.0	-41.88	338.40	8.74	-33.14
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC=C1	REAL300020262501	0	44	-1.0	-43.85	370.77	10.79	-33.06
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC=C1	REAL300020262501	1	44	-1.0	-43.83	370.82	10.78	-33.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020262502	0	41	-1.0	-39.39	332.52	5.00	-34.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020262502	1	41	-1.0	-39.35	332.58	5.01	-34.34
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOCC1	REAL300020262503	0	45	-1.0	-41.40	359.94	7.02	-34.38
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOCC1	REAL300020262503	1	45	-1.0	-41.38	359.95	7.01	-34.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020262504	0	41	-1.0	-43.46	349.18	8.25	-35.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020262504	1	41	-1.0	-43.44	349.13	8.24	-35.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020262505	0	38	-1.0	-47.27	328.21	7.44	-39.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020262505	1	38	-1.0	-47.25	328.16	7.42	-39.83
C=CCN1C(NC2=CC=C(OC)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020262506	0	45	-1.0	-44.41	376.14	10.14	-34.27
C=CCN1C(NC2=CC=C(OC)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020262506	1	45	-1.0	-44.40	376.10	10.15	-34.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020262507	0	41	-1.0	-41.81	335.23	6.85	-34.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020262507	1	41	-1.0	-41.76	335.29	6.87	-34.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020262508	0	38	-1.0	-43.44	317.77	6.24	-37.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020262508	1	38	-1.0	-43.48	317.72	6.22	-37.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCSC1	REAL300020262509	0	45	-1.0	-43.29	366.86	8.92	-34.37
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCSC1	REAL300020262509	1	45	-1.0	-43.23	366.90	8.92	-34.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020262510	0	49	-1.0	-42.03	406.43	7.62	-34.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020262510	1	49	-1.0	-42.03	406.49	7.63	-34.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020262511	0	46	-1.0	-43.54	387.81	6.91	-36.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020262511	1	46	-1.0	-43.58	387.87	6.93	-36.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](NC(=O)NCC)[C@H](OC)C1	REAL300020262512	0	53	-1.0	-49.26	429.62	2.92	-46.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](NC(=O)NCC)[C@H](OC)C1	REAL300020262512	1	53	-1.0	-49.31	429.68	2.93	-46.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](NC(=O)NCC)[C@H](OC)C1	REAL300020262513	0	50	-1.0	-51.99	413.12	2.11	-49.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](NC(=O)NCC)[C@H](OC)C1	REAL300020262513	1	50	-1.0	-52.00	413.17	2.13	-49.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020262514	0	61	0.0	-55.17	421.06	9.57	-45.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020262514	1	61	0.0	-55.20	421.12	9.60	-45.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020262515	0	52	0.0	-63.32	396.85	8.38	-54.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020262515	1	52	0.0	-63.26	396.80	8.36	-54.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020262516	0	49	0.0	-59.13	370.03	7.72	-51.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020262516	1	49	0.0	-59.08	369.98	7.69	-51.39
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020262517	0	56	0.0	-69.78	420.51	10.46	-59.32
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020262517	1	56	0.0	-69.77	420.55	10.45	-59.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020262518	0	51	-1.0	-41.80	394.28	7.57	-34.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020262518	1	51	-1.0	-41.76	394.34	7.58	-34.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020262519	0	48	-1.0	-43.91	370.20	6.98	-36.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020262519	1	48	-1.0	-43.90	370.25	7.00	-36.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020262520	0	57	0.0	-70.37	432.96	8.24	-62.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020262520	1	56	-1.0	-42.93	430.40	5.95	-36.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020262520	1	56	-1.0	-42.96	430.44	5.97	-36.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020262521	0	56	0.0	-69.16	435.54	10.72	-58.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020262521	1	56	0.0	-66.54	433.58	10.63	-55.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020262521	1	56	0.0	-69.14	435.60	10.75	-58.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020262521	1	56	0.0	-66.56	433.64	10.65	-55.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020262522	0	50	-1.0	-51.03	392.68	4.57	-46.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020262522	1	50	-1.0	-51.05	392.74	4.59	-46.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020262523	0	47	-1.0	-51.87	370.25	4.18	-47.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020262523	1	47	-1.0	-51.89	370.31	4.21	-47.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020262524	0	50	-1.0	-39.08	391.17	10.17	-28.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020262524	1	50	-1.0	-39.10	391.23	10.18	-28.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020262525	0	47	-1.0	-41.16	367.42	9.52	-31.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020262525	1	47	-1.0	-41.18	367.37	9.50	-31.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020262526	0	49	-1.0	-40.36	366.93	8.58	-31.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020262526	1	49	-1.0	-40.36	366.99	8.60	-31.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020262527	0	46	-1.0	-41.88	352.08	8.15	-33.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020262527	1	46	-1.0	-41.88	352.02	8.13	-33.75
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020262528	0	53	-1.0	-41.69	395.45	10.62	-31.07
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020262528	1	53	-1.0	-41.79	395.50	10.61	-31.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020262529	0	48	-1.0	-42.83	387.28	7.36	-35.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020262529	1	48	-1.0	-42.86	387.34	7.38	-35.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020262530	0	45	-1.0	-47.50	355.93	6.11	-41.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020262530	1	45	-1.0	-47.50	355.87	6.09	-41.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020262531	0	51	-1.0	-40.21	413.91	8.91	-31.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020262531	1	51	-1.0	-40.25	413.97	8.92	-31.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020262532	0	48	-1.0	-43.00	375.75	9.01	-33.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020262532	1	48	-1.0	-43.01	375.70	9.00	-34.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020262533	0	45	-1.0	-41.49	365.73	6.23	-35.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020262533	1	45	-1.0	-41.48	365.79	6.24	-35.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020262534	0	42	-1.0	-41.47	325.46	5.11	-36.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020262534	1	42	-1.0	-41.47	325.41	5.09	-36.38
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020262535	0	49	-1.0	-43.64	387.94	8.29	-35.35
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020262535	1	49	-1.0	-43.59	387.97	8.27	-35.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020262536	0	56	0.0	-69.49	411.16	9.36	-60.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020262536	1	56	0.0	-61.54	424.05	9.79	-51.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020262536	1	56	0.0	-69.50	411.22	9.37	-60.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020262536	1	56	0.0	-61.55	424.11	9.81	-51.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020262537	0	53	0.0	-55.97	400.70	8.65	-47.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020262537	1	53	0.0	-64.69	393.56	9.34	-55.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020262537	1	53	0.0	-55.99	400.76	8.68	-47.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020262537	1	53	0.0	-64.71	393.62	9.36	-55.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020262538	0	51	-1.0	-39.74	399.61	7.47	-32.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020262538	1	51	-1.0	-39.77	399.67	7.48	-32.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020262539	0	48	-1.0	-40.12	373.07	6.96	-33.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020262539	1	48	-1.0	-40.12	373.12	6.97	-33.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020262540	0	48	-1.0	-40.07	396.26	8.27	-31.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020262540	1	48	-1.0	-40.06	396.32	8.29	-31.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020262541	0	45	-1.0	-43.60	374.93	7.52	-36.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020262541	1	45	-1.0	-43.68	374.87	7.49	-36.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020262542	0	52	-1.0	-40.08	420.59	7.84	-32.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020262542	1	53	0.0	-67.99	423.04	10.09	-57.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020262542	1	52	-1.0	-40.09	420.65	7.85	-32.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020262543	0	49	-1.0	-42.57	400.65	7.09	-35.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020262543	1	50	0.0	-66.03	399.31	9.43	-56.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020262543	1	49	-1.0	-42.56	400.71	7.12	-35.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020262544	0	48	-1.0	-39.30	359.77	6.49	-32.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020262544	1	48	-1.0	-39.28	359.82	6.51	-32.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020262545	0	45	-1.0	-41.31	342.05	6.72	-34.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020262545	1	45	-1.0	-41.30	342.00	6.70	-34.60
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020262546	0	52	-1.0	-42.57	393.78	9.24	-33.33
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020262546	1	52	-1.0	-42.56	393.82	9.22	-33.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020262547	0	52	0.0	-61.43	389.18	8.52	-52.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020262547	1	52	0.0	-61.55	390.85	8.37	-53.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020262547	1	52	0.0	-61.46	389.12	8.50	-52.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020262547	1	52	0.0	-61.49	390.79	8.36	-53.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020262548	0	49	0.0	-59.24	373.43	7.74	-51.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020262548	1	49	0.0	-63.63	352.62	7.70	-55.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020262548	1	49	0.0	-59.20	373.38	7.71	-51.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020262548	1	49	0.0	-63.64	352.57	7.68	-55.96
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020262549	0	56	0.0	-67.20	423.43	10.48	-56.72
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020262549	1	56	0.0	-69.10	407.96	10.41	-58.69
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020262549	1	56	0.0	-67.16	423.47	10.47	-56.69
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020262549	1	56	0.0	-69.03	407.98	10.41	-58.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020262550	0	55	0.0	-61.84	393.77	8.97	-52.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020262550	1	55	0.0	-60.76	394.72	8.31	-52.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020262550	1	55	0.0	-61.84	393.83	8.98	-52.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020262550	1	55	0.0	-60.78	394.78	8.32	-52.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020262551	0	52	0.0	-59.41	386.16	8.28	-51.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020262551	1	52	0.0	-56.11	378.19	7.67	-48.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020262551	1	52	0.0	-59.43	386.21	8.30	-51.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020262551	1	52	0.0	-56.13	378.24	7.71	-48.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020262552	0	57	0.0	-67.60	424.70	7.84	-59.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020262552	1	57	0.0	-65.83	426.65	7.92	-57.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020262552	1	57	0.0	-67.59	424.76	7.86	-59.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020262552	1	57	0.0	-65.87	426.71	7.93	-57.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020262553	0	54	0.0	-65.40	393.77	7.51	-57.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020262553	1	54	0.0	-66.65	390.93	6.26	-60.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020262553	1	54	0.0	-65.41	393.83	7.54	-57.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020262553	1	54	0.0	-66.65	390.99	6.29	-60.36
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)OC	REAL300020262554	0	38	-1.0	-41.29	314.29	7.39	-33.90
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)OC	REAL300020262554	1	38	-1.0	-41.23	314.30	7.38	-33.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020262555	0	56	-1.0	-39.68	418.47	9.14	-30.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020262555	1	56	-1.0	-39.65	418.53	9.16	-30.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020262556	0	53	-1.0	-42.26	397.56	8.36	-33.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020262556	1	53	-1.0	-42.23	397.62	8.38	-33.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C)C1	REAL300020262557	0	44	-1.0	-40.10	350.70	5.93	-34.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C)C1	REAL300020262557	1	44	-1.0	-40.08	350.75	5.95	-34.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C)C1	REAL300020262558	0	41	-1.0	-41.78	326.90	5.28	-36.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C)C1	REAL300020262558	1	41	-1.0	-41.78	326.85	5.27	-36.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOC(C)C1	REAL300020262559	0	48	-1.0	-42.51	369.45	7.86	-34.65
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOC(C)C1	REAL300020262559	1	48	-1.0	-42.55	369.48	7.85	-34.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1CC	REAL300020262560	0	44	-1.0	-44.29	361.54	4.08	-40.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1CC	REAL300020262560	1	44	-1.0	-44.31	361.59	4.10	-40.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1CC	REAL300020262561	0	41	-1.0	-44.54	335.01	3.58	-40.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1CC	REAL300020262561	1	41	-1.0	-44.57	334.95	3.55	-41.02
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)C1CC	REAL300020262562	0	48	-1.0	-45.31	382.82	5.68	-39.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)C1CC	REAL300020262562	1	48	-1.0	-45.30	382.86	5.67	-39.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020262563	0	44	-1.0	-49.21	358.83	3.94	-45.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020262563	1	44	-1.0	-49.22	358.89	3.96	-45.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020262564	0	41	-1.0	-51.02	341.77	3.42	-47.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020262564	1	41	-1.0	-50.98	341.71	3.39	-47.59
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020262565	0	48	-1.0	-50.28	386.99	6.34	-43.94
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020262565	1	48	-1.0	-50.30	387.02	6.33	-43.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020262566	0	54	-1.0	-41.77	410.12	10.78	-30.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020262566	1	54	-1.0	-41.79	410.18	10.80	-30.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020262567	0	51	-1.0	-44.20	384.50	9.85	-34.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020262567	1	51	-1.0	-44.21	384.45	9.82	-34.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(OC)C1	REAL300020262568	0	41	-1.0	-40.85	338.36	4.38	-36.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(OC)C1	REAL300020262568	1	41	-1.0	-40.87	338.42	4.39	-36.48
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(OC)C1	REAL300020262569	0	45	-1.0	-42.64	367.11	6.36	-36.28
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(OC)C1	REAL300020262569	1	45	-1.0	-42.64	367.15	6.36	-36.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C	REAL300020262570	0	43	-1.0	-40.90	340.45	6.32	-34.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C	REAL300020262570	1	43	-1.0	-40.83	340.50	6.34	-34.49
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020262571	0	47	-1.0	-42.14	368.99	8.29	-33.85
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020262571	1	47	-1.0	-42.11	369.03	8.28	-33.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1CC	REAL300020262572	0	46	-1.0	-39.90	363.13	6.91	-32.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1CC	REAL300020262572	1	46	-1.0	-39.95	363.19	6.92	-33.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1CC	REAL300020262573	0	43	-1.0	-45.26	339.75	6.24	-39.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1CC	REAL300020262573	1	43	-1.0	-45.28	339.71	6.23	-39.05
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC1CC	REAL300020262574	0	50	-1.0	-41.95	384.44	9.13	-32.82
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC1CC	REAL300020262574	1	50	-1.0	-41.94	384.47	9.12	-32.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020262575	0	41	-1.0	-39.42	323.78	4.46	-34.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020262575	1	41	-1.0	-39.44	323.83	4.48	-34.96
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020262576	0	45	-1.0	-41.78	352.02	6.45	-35.33
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020262576	1	45	-1.0	-41.74	352.04	6.44	-35.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC(C)C	REAL300020262577	0	52	-1.0	-40.01	384.34	9.29	-30.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC(C)C	REAL300020262577	1	52	-1.0	-40.04	384.40	9.30	-30.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC(C)C	REAL300020262578	0	49	-1.0	-46.05	362.12	7.05	-39.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC(C)C	REAL300020262578	1	49	-1.0	-46.05	362.06	7.04	-39.01
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1CC(C)C	REAL300020262579	0	56	-1.0	-41.99	408.35	11.27	-30.72
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1CC(C)C	REAL300020262579	1	56	-1.0	-41.96	408.39	11.27	-30.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)CCC	REAL300020262580	0	52	-1.0	-39.75	402.24	8.04	-31.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)CCC	REAL300020262580	1	52	-1.0	-39.70	402.29	8.05	-31.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)CCC	REAL300020262581	0	49	-1.0	-40.31	368.30	7.50	-32.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)CCC	REAL300020262581	1	49	-1.0	-40.35	368.25	7.49	-32.86
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C(C)CCC	REAL300020262582	0	56	-1.0	-42.74	420.70	11.32	-31.42
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C(C)CCC	REAL300020262582	1	56	-1.0	-42.78	420.74	11.31	-31.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020262583	0	41	-1.0	-45.54	347.23	8.15	-37.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020262583	1	41	-1.0	-45.56	347.17	8.14	-37.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020262584	0	38	-1.0	-43.88	327.66	7.48	-36.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020262584	1	38	-1.0	-43.87	327.60	7.46	-36.41
C=CCN1C(NC2=CC=CC(OC)=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020262585	0	45	-1.0	-47.38	376.12	10.15	-37.23
C=CCN1C(NC2=CC=CC(OC)=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020262585	1	45	-1.0	-47.31	376.09	10.16	-37.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C)C=C1	REAL300020262586	0	37	-1.0	-44.81	322.31	7.82	-36.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C)C=C1	REAL300020262586	1	37	-1.0	-44.78	322.26	7.81	-36.97
C=CCN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020262587	0	41	-1.0	-45.37	350.23	9.69	-35.68
C=CCN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020262587	1	41	-1.0	-45.38	350.20	9.71	-35.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020262588	0	37	-1.0	-48.55	318.72	6.72	-41.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020262588	1	37	-1.0	-48.53	318.66	6.70	-41.83
C=CCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020262589	0	41	-1.0	-48.65	348.90	8.71	-39.94
C=CCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020262589	1	41	-1.0	-48.67	348.87	8.73	-39.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020262590	0	46	-1.0	-40.71	356.62	7.29	-33.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020262590	1	46	-1.0	-40.72	356.68	7.30	-33.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020262591	0	43	-1.0	-42.79	333.58	5.93	-36.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020262591	1	43	-1.0	-42.75	333.52	5.91	-36.84
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C(C)C	REAL300020262592	0	50	-1.0	-42.15	386.73	9.27	-32.88
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C(C)C	REAL300020262592	1	50	-1.0	-42.13	386.80	9.24	-32.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020262593	0	50	-1.0	-46.42	406.74	8.33	-38.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020262593	1	50	-1.0	-46.42	406.80	8.35	-38.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020262594	0	47	-1.0	-48.39	383.78	8.62	-39.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020262594	1	47	-1.0	-48.40	383.72	8.60	-39.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@@H](C2=CC=CC=C2)C1	REAL300020262595	0	50	-1.0	-47.51	401.91	9.16	-38.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@@H](C2=CC=CC=C2)C1	REAL300020262595	1	50	-1.0	-47.53	401.86	9.15	-38.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2[N+](=O)[O-])CC1	REAL300020262596	0	47	-1.0	-50.24	401.21	7.98	-42.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2[N+](=O)[O-])CC1	REAL300020262596	1	47	-1.0	-50.21	401.16	7.96	-42.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020262597	0	57	-1.0	-38.49	439.66	9.39	-29.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020262597	1	57	-1.0	-38.49	439.71	9.41	-29.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020262598	0	54	-1.0	-40.71	414.22	8.69	-32.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020262598	1	54	-1.0	-40.70	414.27	8.70	-32.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020262599	0	55	-1.0	-44.68	426.98	9.02	-35.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020262599	1	55	-1.0	-44.69	427.04	9.03	-35.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020262600	0	52	-1.0	-43.80	409.65	8.41	-35.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020262600	1	52	-1.0	-43.82	409.70	8.43	-35.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300020262601	0	52	-1.0	-43.93	410.45	8.76	-35.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300020262601	1	52	-1.0	-43.92	410.51	8.78	-35.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020262602	0	46	-1.0	-43.40	373.55	2.87	-40.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020262602	1	46	-1.0	-43.46	373.60	2.88	-40.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020262603	0	43	-1.0	-44.01	357.05	2.28	-41.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020262603	1	43	-1.0	-43.98	356.99	2.25	-41.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=C(C)N(C)N=C1C	REAL300020262604	0	53	-1.0	-47.49	423.74	5.38	-42.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=C(C)N(C)N=C1C	REAL300020262604	1	53	-1.0	-47.48	423.68	5.35	-42.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020262605	0	49	-1.0	-41.15	375.19	5.12	-36.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020262605	1	49	-1.0	-41.12	375.24	5.13	-35.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020262606	0	46	-1.0	-42.65	373.74	4.24	-38.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020262606	1	46	-1.0	-42.65	373.68	4.22	-38.43
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020262607	0	53	-1.0	-43.01	417.28	6.34	-36.67
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020262607	1	53	-1.0	-42.99	417.31	6.33	-36.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020262608	0	52	-1.0	-42.68	422.75	7.84	-34.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020262608	1	52	-1.0	-42.67	422.70	7.83	-34.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020262609	0	49	-1.0	-46.17	398.63	7.60	-38.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020262609	1	49	-1.0	-46.16	398.58	7.59	-38.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020262610	0	46	-1.0	-40.83	379.75	10.15	-30.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020262610	1	46	-1.0	-40.80	379.69	10.13	-30.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020262611	0	43	-1.0	-43.94	358.64	9.59	-34.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020262611	1	43	-1.0	-43.94	358.58	9.58	-34.36
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020262612	0	50	-1.0	-42.73	407.47	12.07	-30.66
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020262612	1	50	-1.0	-42.79	407.50	12.05	-30.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020262613	0	47	-1.0	-39.86	361.16	8.21	-31.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020262613	1	47	-1.0	-39.90	361.21	8.23	-31.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020262614	0	44	-1.0	-40.99	334.49	7.56	-33.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020262614	1	44	-1.0	-41.00	334.45	7.54	-33.46
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020262615	0	51	-1.0	-43.87	384.17	9.97	-33.90
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020262615	1	51	-1.0	-43.90	384.21	9.96	-33.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(OC)C1	REAL300020262616	0	44	-1.0	-44.68	349.44	5.42	-39.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(OC)C1	REAL300020262616	1	44	-1.0	-44.68	349.50	5.43	-39.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(OC)C1	REAL300020262617	0	41	-1.0	-44.21	333.89	4.46	-39.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(OC)C1	REAL300020262617	1	41	-1.0	-44.21	333.83	4.43	-39.78
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(OC)C1	REAL300020262618	0	48	-1.0	-44.59	377.16	7.30	-37.29
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(OC)C1	REAL300020262618	1	48	-1.0	-44.51	377.21	7.28	-37.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020262619	0	41	-1.0	-41.65	345.42	7.95	-33.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020262619	1	41	-1.0	-41.67	345.47	7.96	-33.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020262620	0	38	-1.0	-42.80	332.77	6.93	-35.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020262620	1	38	-1.0	-42.80	332.71	6.91	-35.89
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020262621	0	45	-1.0	-42.87	378.13	10.04	-32.83
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020262621	1	45	-1.0	-42.86	378.18	10.03	-32.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020262622	0	41	-1.0	-41.50	345.15	7.39	-34.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020262622	1	41	-1.0	-41.48	345.20	7.41	-34.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020262623	0	38	-1.0	-43.44	322.11	7.54	-35.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020262623	1	38	-1.0	-43.41	322.07	7.53	-35.88
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020262624	0	45	-1.0	-43.01	375.97	10.19	-32.82
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020262624	1	45	-1.0	-43.02	376.01	10.19	-32.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020262625	0	46	-1.0	-41.10	369.07	7.79	-33.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020262625	1	46	-1.0	-41.12	369.12	7.80	-33.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020262626	0	43	-1.0	-42.74	352.15	7.19	-35.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020262626	1	43	-1.0	-42.77	352.09	7.16	-35.61
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020262627	0	50	-1.0	-43.02	396.20	10.02	-33.00
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020262627	1	50	-1.0	-42.98	396.25	10.01	-32.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020262628	0	44	-1.0	-40.71	379.32	9.18	-31.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020262628	1	44	-1.0	-40.69	379.37	9.19	-31.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020262629	0	41	-1.0	-45.77	349.13	7.48	-38.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020262629	1	41	-1.0	-45.76	349.08	7.46	-38.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020262630	0	52	-1.0	-39.79	414.40	6.26	-33.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020262630	1	52	-1.0	-39.79	414.46	6.28	-33.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020262631	0	49	-1.0	-41.85	393.95	5.47	-36.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020262631	1	49	-1.0	-41.85	394.00	5.50	-36.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020262632	0	45	-1.0	-40.61	352.70	5.08	-35.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020262632	1	45	-1.0	-40.57	352.75	5.10	-35.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020262633	0	42	-1.0	-44.08	332.43	5.47	-38.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020262633	1	42	-1.0	-44.05	332.39	5.45	-38.60
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020262634	0	49	-1.0	-43.37	390.25	8.08	-35.29
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020262634	1	49	-1.0	-43.32	390.31	8.07	-35.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020262635	0	45	-1.0	-57.13	374.71	1.18	-55.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020262635	1	45	-1.0	-57.14	374.77	1.19	-55.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020262636	0	42	-1.0	-50.48	349.94	1.37	-49.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020262636	1	42	-1.0	-50.53	349.88	1.35	-49.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020262637	0	47	-1.0	-39.44	364.49	4.31	-35.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020262637	1	47	-1.0	-39.45	364.55	4.33	-35.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020262638	0	44	-1.0	-41.92	350.03	2.86	-39.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020262638	1	44	-1.0	-41.92	349.98	2.84	-39.08
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CO)C1C	REAL300020262639	0	51	-1.0	-42.90	388.60	6.45	-36.45
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CO)C1C	REAL300020262639	1	51	-1.0	-42.86	388.63	6.44	-36.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020262640	0	46	-1.0	-47.06	384.16	8.43	-38.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020262640	1	46	-1.0	-47.07	384.22	8.44	-38.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020262641	0	43	-1.0	-46.80	361.33	7.59	-39.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020262641	1	43	-1.0	-46.82	361.27	7.57	-39.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020262642	0	58	-1.0	-38.97	425.94	9.39	-29.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020262642	1	58	-1.0	-38.95	425.99	9.41	-29.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020262643	0	55	-1.0	-41.08	401.90	8.61	-32.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020262643	1	55	-1.0	-41.08	401.95	8.63	-32.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020262644	0	57	-1.0	-40.33	456.90	7.84	-32.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020262644	1	57	-1.0	-40.32	456.96	7.86	-32.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020262645	0	54	-1.0	-42.79	433.08	7.18	-35.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020262645	1	54	-1.0	-42.80	433.13	7.19	-35.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020262646	0	52	0.0	-73.94	420.21	8.11	-65.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020262646	1	52	0.0	-73.96	420.27	8.13	-65.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020262647	0	49	-1.0	-39.63	377.65	8.34	-31.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020262647	1	49	-1.0	-39.61	377.71	8.35	-31.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020262648	0	46	-1.0	-43.77	371.53	7.57	-36.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020262648	1	46	-1.0	-43.72	371.47	7.55	-36.17
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020262649	0	53	-1.0	-42.53	420.38	10.23	-32.30
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020262649	1	53	-1.0	-42.52	420.40	10.22	-32.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020262650	0	48	-1.0	-42.79	372.68	8.70	-34.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020262650	1	48	-1.0	-42.80	372.73	8.71	-34.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020262651	0	45	-1.0	-44.02	353.13	7.94	-36.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020262651	1	45	-1.0	-44.03	353.07	7.91	-36.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020262652	0	54	-1.0	-42.83	434.02	9.51	-33.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020262652	1	54	-1.0	-42.79	434.07	9.52	-33.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020262653	0	51	-1.0	-44.12	408.31	8.80	-35.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020262653	1	51	-1.0	-44.15	408.36	8.83	-35.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020262654	0	48	-1.0	-42.39	390.23	8.17	-34.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020262654	1	48	-1.0	-42.40	390.29	8.19	-34.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020262655	0	45	-1.0	-43.30	370.41	7.42	-35.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020262655	1	45	-1.0	-43.30	370.46	7.45	-35.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCS2(=O)=O)CC1	REAL300020262656	0	49	-1.0	-52.16	403.81	4.10	-48.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCS2(=O)=O)CC1	REAL300020262656	1	49	-1.0	-52.17	403.86	4.13	-48.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300020262657	0	48	-1.0	-48.23	384.93	7.55	-40.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300020262657	1	48	-1.0	-48.23	384.99	7.56	-40.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020262658	0	54	-1.0	-40.21	418.12	10.71	-29.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020262658	1	54	-1.0	-40.21	418.18	10.72	-29.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020262659	0	51	-1.0	-45.58	396.48	10.21	-35.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020262659	1	51	-1.0	-45.55	396.42	10.20	-35.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC1	REAL300020262660	0	43	-1.0	-38.92	343.01	6.32	-32.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC1	REAL300020262660	1	43	-1.0	-38.91	343.07	6.34	-32.57
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020262661	0	47	-1.0	-41.87	382.83	8.72	-33.15
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020262661	1	47	-1.0	-41.86	382.87	8.71	-33.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020262662	0	41	-1.0	-41.86	332.57	4.74	-37.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020262662	1	41	-1.0	-41.88	332.63	4.76	-37.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020262663	0	38	-1.0	-41.50	325.41	4.63	-36.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020262663	1	38	-1.0	-41.52	325.35	4.61	-36.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020262664	0	45	-1.0	-43.34	358.58	6.61	-36.73
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020262664	1	45	-1.0	-43.25	358.62	6.60	-36.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020262665	0	56	-1.0	-42.34	440.80	5.07	-37.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020262665	1	56	-1.0	-42.32	440.85	5.08	-37.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020262665	1	57	0.0	-64.05	442.18	7.31	-56.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020262666	0	53	-1.0	-45.17	420.85	4.32	-40.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020262666	1	53	-1.0	-45.21	420.91	4.34	-40.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020262666	1	54	0.0	-61.72	418.44	6.64	-55.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020262667	0	56	0.0	-64.97	435.04	10.73	-54.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020262667	1	56	0.0	-66.75	436.71	10.77	-55.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020262667	1	55	-1.0	-39.85	421.82	7.88	-31.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020262667	1	55	-1.0	-39.84	421.88	7.89	-31.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020262668	0	53	0.0	-64.94	418.17	10.02	-54.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020262668	1	53	0.0	-65.96	414.64	10.04	-55.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020262668	1	52	-1.0	-42.59	402.85	7.16	-35.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020262668	1	52	-1.0	-42.56	402.90	7.18	-35.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020262669	0	50	-1.0	-41.66	403.65	10.96	-30.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020262669	1	50	-1.0	-41.69	403.71	10.97	-30.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020262670	0	47	-1.0	-45.06	367.62	8.55	-36.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020262670	1	47	-1.0	-45.00	367.57	8.54	-36.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCN(CC(F)(F)F)CC1	REAL300020262671	0	51	-1.0	-40.57	402.67	6.03	-34.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCN(CC(F)(F)F)CC1	REAL300020262671	1	51	-1.0	-40.59	402.73	6.05	-34.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(CC(F)(F)F)CC1	REAL300020262672	0	48	-1.0	-41.88	389.32	5.84	-36.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(CC(F)(F)F)CC1	REAL300020262672	1	48	-1.0	-41.88	389.38	5.86	-36.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020262673	0	54	-1.0	-47.37	413.50	8.42	-38.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020262673	1	54	-1.0	-47.37	413.56	8.43	-38.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020262674	0	51	-1.0	-57.94	383.88	7.22	-50.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020262674	1	51	-1.0	-58.01	383.92	7.23	-50.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020262675	0	47	-1.0	-39.22	378.04	8.59	-30.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020262675	1	47	-1.0	-39.19	378.10	8.60	-30.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020262676	0	44	-1.0	-41.24	352.64	7.89	-33.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020262676	1	44	-1.0	-41.25	352.58	7.87	-33.38
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020262677	0	51	-1.0	-41.82	406.22	10.57	-31.25
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020262677	1	51	-1.0	-41.81	406.08	10.58	-31.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020262678	0	49	-1.0	-40.54	391.73	9.64	-30.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020262678	1	49	-1.0	-40.57	391.79	9.65	-30.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020262679	0	46	-1.0	-42.48	381.52	8.83	-33.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020262679	1	46	-1.0	-42.51	381.46	8.80	-33.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020262680	0	49	-1.0	-47.39	401.45	3.89	-43.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020262680	1	49	-1.0	-47.38	401.51	3.90	-43.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020262681	0	46	-1.0	-47.46	377.63	3.22	-44.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020262681	1	46	-1.0	-47.51	377.68	3.23	-44.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC(OCC)=C1	REAL300020262682	0	54	-1.0	-43.28	443.99	5.28	-38.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC(OCC)=C1	REAL300020262682	1	54	-1.0	-43.29	444.05	5.29	-38.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC(OCC)=C1	REAL300020262683	0	51	-1.0	-45.40	409.36	4.91	-40.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC(OCC)=C1	REAL300020262683	1	51	-1.0	-45.36	409.30	4.88	-40.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020262684	0	45	-1.0	-40.84	381.74	7.46	-33.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020262684	1	45	-1.0	-40.82	381.80	7.47	-33.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020262685	0	42	-1.0	-44.70	360.04	6.68	-38.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020262685	1	42	-1.0	-44.67	359.97	6.66	-38.01
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020262686	0	49	-1.0	-44.81	404.65	9.22	-35.59
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020262686	1	49	-1.0	-44.82	404.70	9.21	-35.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020262687	0	52	-1.0	-41.56	389.32	8.68	-32.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020262687	1	52	-1.0	-41.61	389.38	8.69	-32.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020262688	0	49	-1.0	-44.53	367.88	7.92	-36.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020262688	1	49	-1.0	-44.52	367.82	7.89	-36.63
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020262689	0	56	-1.0	-43.11	417.97	10.63	-32.48
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020262689	1	56	-1.0	-43.08	417.99	10.62	-32.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020262690	0	47	-1.0	-40.81	409.89	8.16	-32.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020262690	1	47	-1.0	-40.83	409.95	8.18	-32.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020262691	0	44	-1.0	-43.72	388.62	7.47	-36.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020262691	1	44	-1.0	-43.74	388.56	7.45	-36.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020262692	0	49	-1.0	-43.28	396.83	8.25	-35.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020262692	1	49	-1.0	-43.32	396.89	8.26	-35.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020262693	0	46	-1.0	-44.88	373.88	7.39	-37.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020262693	1	46	-1.0	-44.87	373.84	7.35	-37.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCOC	REAL300020262694	0	46	-1.0	-40.70	382.14	6.05	-34.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCOC	REAL300020262694	1	46	-1.0	-40.67	382.20	6.06	-34.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCOC	REAL300020262695	0	43	-1.0	-43.51	360.46	5.27	-38.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCOC	REAL300020262695	1	43	-1.0	-43.50	360.39	5.24	-38.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCCOC	REAL300020262696	0	50	-1.0	-43.39	410.61	8.01	-35.38
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCCOC	REAL300020262696	1	50	-1.0	-43.37	410.66	8.00	-35.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC(C)(C)C)C1	REAL300020262697	0	55	-1.0	-45.20	434.25	9.40	-35.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC(C)(C)C)C1	REAL300020262697	1	55	-1.0	-45.22	434.30	9.41	-35.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020262698	0	51	-1.0	-38.21	408.90	8.05	-30.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020262698	1	51	-1.0	-38.26	408.96	8.06	-30.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020262699	0	48	-1.0	-40.16	385.17	7.37	-32.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020262699	1	48	-1.0	-40.23	385.22	7.40	-32.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020262700	0	47	-1.0	-40.60	387.94	6.56	-34.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020262700	1	47	-1.0	-40.62	388.00	6.57	-34.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020262701	0	44	-1.0	-41.57	366.38	5.72	-35.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020262701	1	44	-1.0	-41.53	366.43	5.75	-35.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020262702	0	55	-1.0	-39.71	385.24	10.21	-29.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020262702	1	55	-1.0	-39.76	385.30	10.22	-29.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020262703	0	52	-1.0	-40.77	362.47	9.25	-31.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020262703	1	52	-1.0	-40.75	362.39	9.23	-31.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020262704	0	46	-1.0	-40.05	361.34	7.74	-32.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020262704	1	46	-1.0	-40.02	361.39	7.75	-32.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020262705	0	43	-1.0	-44.81	346.71	6.93	-37.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020262705	1	43	-1.0	-44.79	346.66	6.91	-37.88
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1C	REAL300020262706	0	50	-1.0	-42.89	371.45	8.73	-34.16
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1C	REAL300020262706	1	50	-1.0	-42.92	371.49	8.72	-34.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020262707	0	46	-1.0	-39.36	381.43	8.42	-30.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020262707	1	46	-1.0	-39.37	381.49	8.44	-30.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020262708	0	43	-1.0	-41.61	362.25	7.48	-34.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020262708	1	43	-1.0	-41.62	362.31	7.50	-34.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020262709	0	50	-1.0	-38.67	397.51	7.54	-31.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020262709	1	50	-1.0	-38.65	397.57	7.55	-31.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020262710	0	47	-1.0	-41.21	381.55	6.91	-34.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020262710	1	47	-1.0	-41.23	381.50	6.88	-34.35
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020262711	0	54	-1.0	-41.04	426.72	9.59	-31.45
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020262711	1	54	-1.0	-40.92	426.75	9.57	-31.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020262712	0	50	-1.0	-40.65	424.32	7.07	-33.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020262712	1	50	-1.0	-40.65	424.37	7.09	-33.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020262713	0	47	-1.0	-43.69	402.68	6.30	-37.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020262713	1	47	-1.0	-43.69	402.62	6.28	-37.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020262714	0	47	-1.0	-41.66	378.91	8.65	-33.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020262714	1	47	-1.0	-41.65	378.97	8.67	-32.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020262715	0	44	-1.0	-45.49	356.31	7.74	-37.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020262715	1	44	-1.0	-45.49	356.25	7.72	-37.77
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020262716	0	51	-1.0	-44.30	407.20	10.67	-33.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020262716	1	51	-1.0	-44.21	407.24	10.66	-33.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020262717	0	44	-1.0	-47.89	362.41	4.48	-43.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020262717	1	44	-1.0	-47.87	362.46	4.50	-43.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020262718	0	41	-1.0	-50.77	341.24	3.72	-47.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020262718	1	41	-1.0	-50.72	341.19	3.69	-47.03
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020262719	0	48	-1.0	-49.32	391.61	6.44	-42.88
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020262719	1	48	-1.0	-49.28	391.66	6.43	-42.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020262720	0	50	-1.0	-39.96	388.39	9.05	-30.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020262720	1	50	-1.0	-39.96	388.45	9.07	-30.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020262721	0	47	-1.0	-42.93	361.08	8.58	-34.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020262721	1	47	-1.0	-42.90	361.03	8.56	-34.34
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020262722	0	54	-1.0	-42.81	416.35	11.18	-31.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020262722	1	54	-1.0	-42.84	416.40	11.17	-31.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020262723	0	44	-1.0	-43.66	355.78	11.07	-32.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020262723	1	44	-1.0	-43.66	355.73	11.06	-32.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020262724	0	41	-1.0	-49.61	328.57	10.35	-39.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020262724	1	41	-1.0	-49.59	328.52	10.33	-39.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020262725	0	48	-1.0	-45.52	383.55	13.00	-32.52
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020262725	1	48	-1.0	-45.49	383.58	12.99	-32.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOC1=CC=CC=C1C	REAL300020262726	0	53	-1.0	-41.12	429.78	9.62	-31.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOC1=CC=CC=C1C	REAL300020262726	1	53	-1.0	-41.14	429.83	9.64	-31.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOC1=CC=CC=C1C	REAL300020262727	0	50	-1.0	-44.09	408.69	8.15	-35.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOC1=CC=CC=C1C	REAL300020262727	1	50	-1.0	-44.10	408.74	8.17	-35.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020262728	0	56	0.0	-61.68	424.78	7.11	-54.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020262728	1	55	-1.0	-38.94	422.95	4.99	-33.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020262728	1	55	-1.0	-38.97	423.00	5.00	-33.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020262729	0	53	0.0	-58.92	401.05	6.45	-52.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020262729	1	52	-1.0	-41.60	403.01	4.24	-37.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020262729	1	52	-1.0	-41.62	403.07	4.27	-37.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020262730	0	46	-1.0	-46.51	382.41	6.19	-40.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020262730	1	46	-1.0	-46.53	382.36	6.18	-40.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020262731	0	43	-1.0	-46.79	360.91	5.42	-41.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020262731	1	43	-1.0	-46.80	360.85	5.39	-41.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020262732	0	54	0.0	-61.78	419.96	10.25	-51.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020262732	1	54	0.0	-62.93	415.78	9.88	-53.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020262733	0	46	-1.0	-40.70	365.44	7.06	-33.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020262733	1	46	-1.0	-40.71	365.49	7.08	-33.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020262734	0	43	-1.0	-43.06	347.32	6.41	-36.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020262734	1	43	-1.0	-43.04	347.27	6.38	-36.66
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020262735	0	50	-1.0	-40.98	389.41	9.27	-31.71
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020262735	1	50	-1.0	-40.95	389.45	9.26	-31.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020262736	0	47	-1.0	-43.54	398.92	9.35	-34.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020262736	1	47	-1.0	-43.55	398.97	9.36	-34.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020262737	0	44	-1.0	-45.79	379.74	8.04	-37.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020262737	1	44	-1.0	-45.74	379.68	8.02	-37.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020262738	0	53	-1.0	-41.04	424.05	11.08	-29.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020262738	1	53	-1.0	-40.99	424.11	11.09	-29.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020262739	0	50	-1.0	-45.68	396.88	10.06	-35.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020262739	1	50	-1.0	-45.64	396.82	10.04	-35.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020262740	0	46	-1.0	-41.36	373.87	6.71	-34.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020262740	1	46	-1.0	-41.37	373.93	6.72	-34.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020262741	0	43	-1.0	-41.49	358.28	5.86	-35.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020262741	1	43	-1.0	-41.50	358.33	5.88	-35.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020262742	0	45	-1.0	-40.71	356.36	6.02	-34.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020262742	1	45	-1.0	-40.79	356.42	6.03	-34.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020262743	0	42	-1.0	-43.37	338.61	5.36	-38.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020262743	1	42	-1.0	-43.35	338.55	5.34	-38.01
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020262744	0	49	-1.0	-42.96	381.71	7.98	-34.98
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020262744	1	49	-1.0	-42.97	381.70	7.96	-35.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020262745	0	51	-1.0	-40.93	412.13	7.68	-33.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020262745	1	51	-1.0	-40.97	412.19	7.70	-33.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020262746	0	48	-1.0	-43.49	386.43	6.99	-36.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020262746	1	48	-1.0	-43.49	386.38	6.98	-36.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020262747	0	50	-1.0	-42.03	402.95	7.30	-34.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020262747	1	50	-1.0	-42.09	403.01	7.31	-34.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020262748	0	47	-1.0	-42.48	380.32	6.96	-35.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020262748	1	47	-1.0	-42.47	380.26	6.94	-35.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020262749	0	54	-1.0	-40.32	415.78	8.10	-32.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020262749	1	54	-1.0	-40.32	415.84	8.11	-32.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020262750	0	51	-1.0	-42.19	392.65	7.23	-34.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020262750	1	51	-1.0	-42.19	392.69	7.25	-34.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020262751	0	56	-1.0	-40.25	407.76	9.43	-30.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020262751	1	56	-1.0	-40.22	407.82	9.44	-30.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020262752	0	53	-1.0	-41.09	382.33	8.95	-32.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020262752	1	53	-1.0	-41.09	382.38	8.97	-32.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)C1	REAL300020262753	0	51	-1.0	-47.21	420.89	7.28	-39.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)C1	REAL300020262753	1	51	-1.0	-47.23	420.95	7.30	-39.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020262754	0	55	-1.0	-43.55	428.57	9.03	-34.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020262754	1	55	-1.0	-43.58	428.63	9.05	-34.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020262755	0	51	-1.0	-40.32	387.70	6.81	-33.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020262755	1	51	-1.0	-40.30	387.75	6.82	-33.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020262756	0	48	-1.0	-43.27	365.76	6.38	-36.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020262756	1	48	-1.0	-43.25	365.71	6.36	-36.89
C#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)CC1	REAL300020262757	0	42	-1.0	-39.30	353.24	7.98	-31.32
C#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)CC1	REAL300020262757	1	42	-1.0	-39.29	353.29	7.99	-31.30
C#CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)CC1	REAL300020262758	0	46	-1.0	-41.72	374.08	9.80	-31.92
C#CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)CC1	REAL300020262758	1	46	-1.0	-41.69	374.12	9.79	-31.90
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)C1	REAL300020262759	0	45	-1.0	-39.46	375.38	8.51	-30.95
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)C1	REAL300020262759	1	45	-1.0	-39.42	375.44	8.53	-30.89
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)C1	REAL300020262760	0	42	-1.0	-42.54	352.31	7.91	-34.63
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)C1	REAL300020262760	1	42	-1.0	-42.52	352.25	7.88	-34.64
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)C1	REAL300020262761	0	49	-1.0	-41.81	404.26	10.53	-31.28
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)C1	REAL300020262761	1	49	-1.0	-41.75	404.33	10.52	-31.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020262762	0	52	-1.0	-43.23	417.34	8.21	-35.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020262762	1	52	-1.0	-43.21	417.40	8.22	-34.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020262763	0	49	-1.0	-45.15	389.24	7.45	-37.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020262763	1	49	-1.0	-45.15	389.20	7.43	-37.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300020262764	0	46	-1.0	-44.45	383.22	6.88	-37.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300020262764	1	46	-1.0	-44.38	383.28	6.90	-37.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020262765	0	47	-1.0	-40.27	374.55	6.61	-33.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020262765	1	47	-1.0	-40.29	374.61	6.62	-33.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020262766	0	44	-1.0	-43.11	359.92	5.93	-37.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020262766	1	44	-1.0	-43.08	359.88	5.92	-37.16
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020262767	0	51	-1.0	-43.53	402.39	8.51	-35.02
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020262767	1	51	-1.0	-43.50	402.44	8.50	-35.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C(=O)OC(C)(C)C)C1	REAL300020262768	0	55	-1.0	-42.56	433.47	9.02	-33.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C(=O)OC(C)(C)C)C1	REAL300020262768	1	55	-1.0	-42.62	433.52	9.05	-33.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020262769	0	47	-1.0	-42.78	384.37	7.67	-35.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020262769	1	47	-1.0	-42.75	384.31	7.66	-35.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020262770	0	44	-1.0	-43.90	360.26	7.08	-36.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020262770	1	44	-1.0	-43.88	360.21	7.06	-36.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300020262771	0	47	-1.0	-45.06	391.25	9.73	-35.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300020262771	1	47	-1.0	-45.08	391.30	9.74	-35.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020262772	0	48	-1.0	-47.57	397.86	3.18	-44.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020262772	1	48	-1.0	-47.57	397.92	3.19	-44.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020262773	0	45	-1.0	-48.92	374.70	2.33	-46.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020262773	1	45	-1.0	-48.94	374.76	2.36	-46.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020262774	0	48	-1.0	-41.56	393.36	8.37	-33.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020262774	1	48	-1.0	-41.58	393.42	8.38	-33.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020262775	0	45	-1.0	-45.34	374.76	7.68	-37.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020262775	1	45	-1.0	-45.39	374.70	7.65	-37.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020262776	0	56	0.0	-59.35	421.35	7.54	-51.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020262776	1	56	0.0	-60.51	421.14	6.79	-53.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020262776	1	55	-1.0	-40.00	422.00	5.39	-34.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020262776	1	55	-1.0	-40.00	422.06	5.41	-34.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020262777	0	53	0.0	-58.00	397.49	6.98	-51.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020262777	1	53	0.0	-59.40	402.63	6.10	-53.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020262777	1	52	-1.0	-43.25	400.50	4.60	-38.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020262777	1	52	-1.0	-43.27	400.57	4.62	-38.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(CCC)=NO2)CC1	REAL300020262778	0	54	-1.0	-46.94	438.05	7.44	-39.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(CCC)=NO2)CC1	REAL300020262778	1	54	-1.0	-46.98	438.10	7.46	-39.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNC(C)=O	REAL300020262779	0	43	-1.0	-43.93	363.30	3.66	-40.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNC(C)=O	REAL300020262779	1	43	-1.0	-43.94	363.35	3.68	-40.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNC(C)=O	REAL300020262780	0	40	-1.0	-45.81	344.29	2.99	-42.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNC(C)=O	REAL300020262780	1	40	-1.0	-45.83	344.23	2.97	-42.86
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCNC(C)=O	REAL300020262781	0	47	-1.0	-45.54	394.75	5.72	-39.82
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCNC(C)=O	REAL300020262781	1	47	-1.0	-45.51	394.80	5.71	-39.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020262782	0	46	-1.0	-43.97	373.56	7.08	-36.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020262782	1	46	-1.0	-43.98	373.61	7.10	-36.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020262783	0	43	-1.0	-44.94	356.21	6.49	-38.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020262783	1	43	-1.0	-44.99	356.15	6.47	-38.52
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020262784	0	50	-1.0	-45.95	395.17	8.43	-37.52
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020262784	1	50	-1.0	-45.92	395.21	8.42	-37.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020262785	0	41	-1.0	-40.60	356.17	8.11	-32.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020262785	1	41	-1.0	-40.59	356.22	8.13	-32.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020262786	0	38	-1.0	-40.64	334.72	7.35	-33.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020262786	1	38	-1.0	-40.63	334.66	7.33	-33.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020262787	0	45	-1.0	-42.49	372.36	7.31	-35.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020262787	1	45	-1.0	-42.47	372.42	7.33	-35.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020262788	0	42	-1.0	-44.27	350.31	6.50	-37.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020262788	1	42	-1.0	-44.22	350.25	6.48	-37.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020262789	0	42	-1.0	-43.46	363.72	8.41	-35.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020262789	1	42	-1.0	-43.45	363.78	8.42	-35.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020262790	0	39	-1.0	-43.52	341.67	7.59	-35.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020262790	1	39	-1.0	-43.56	341.61	7.57	-35.99
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020262791	0	46	-1.0	-44.58	386.44	10.09	-34.49
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020262791	1	46	-1.0	-44.59	386.46	10.08	-34.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2NC(C)=O)C1	REAL300020262792	0	51	-1.0	-45.56	413.18	7.44	-38.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2NC(C)=O)C1	REAL300020262792	1	51	-1.0	-45.60	413.23	7.46	-38.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2NC(C)=O)C1	REAL300020262793	0	48	-1.0	-48.64	385.61	7.17	-41.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2NC(C)=O)C1	REAL300020262793	1	48	-1.0	-48.65	385.56	7.14	-41.51
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)C1	REAL300020262794	0	42	-1.0	-41.61	352.74	7.72	-33.89
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)C1	REAL300020262794	1	42	-1.0	-41.62	352.80	7.73	-33.89
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)C1	REAL300020262795	0	46	-1.0	-42.54	378.75	9.91	-32.63
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)C1	REAL300020262795	1	46	-1.0	-42.52	378.81	9.90	-32.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OC(F)(F)OC2=C1	REAL300020262796	0	43	-1.0	-44.63	380.45	6.85	-37.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OC(F)(F)OC2=C1	REAL300020262796	1	43	-1.0	-44.62	380.51	6.88	-37.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C	REAL300020262797	0	46	-2.0	-86.05	381.89	2.92	-83.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C	REAL300020262797	1	47	-1.0	-41.38	400.71	5.29	-36.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C	REAL300020262797	1	47	-1.0	-41.40	400.65	5.26	-36.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C	REAL300020262797	1	46	-2.0	-86.04	381.95	2.95	-83.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300020262798	0	45	-1.0	-44.25	394.32	8.59	-35.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300020262798	1	45	-1.0	-44.29	394.26	8.57	-35.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)OC)C1	REAL300020262799	0	50	-1.0	-41.50	406.16	9.16	-32.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)OC)C1	REAL300020262799	1	50	-1.0	-41.56	406.11	9.14	-32.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=C(C)C=N2)CC1	REAL300020262800	0	52	-1.0	-43.38	428.96	5.67	-37.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=C(C)C=N2)CC1	REAL300020262800	1	52	-1.0	-43.35	428.91	5.65	-37.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=C(C)C=N2)CC1	REAL300020262801	0	49	-1.0	-45.46	405.14	5.00	-40.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=C(C)C=N2)CC1	REAL300020262801	1	49	-1.0	-45.47	405.09	4.98	-40.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020262802	0	50	-1.0	-43.47	402.32	8.50	-34.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020262802	1	50	-1.0	-43.46	402.38	8.52	-34.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020262803	0	47	-1.0	-46.87	376.48	7.78	-39.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020262803	1	47	-1.0	-46.89	376.54	7.79	-39.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(CC)=CS2)CC1	REAL300020262804	0	52	-1.0	-44.16	429.49	8.86	-35.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(CC)=CS2)CC1	REAL300020262804	1	52	-1.0	-44.16	429.54	8.89	-35.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020262805	0	55	0.0	-60.39	407.35	8.37	-52.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020262805	1	55	0.0	-60.44	407.41	8.38	-52.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020262806	0	52	0.0	-57.91	383.62	7.69	-50.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020262806	1	52	0.0	-57.92	383.67	7.72	-50.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020262807	0	41	-1.0	-39.18	357.50	4.19	-34.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020262807	1	41	-1.0	-39.16	357.56	4.21	-34.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020262808	0	38	-1.0	-40.83	336.33	3.40	-37.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020262808	1	38	-1.0	-40.77	336.27	3.38	-37.39
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020262809	0	45	-1.0	-42.21	379.28	6.41	-35.80
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020262809	1	45	-1.0	-42.27	379.39	6.38	-35.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020262810	0	51	-1.0	-42.34	410.58	8.30	-34.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020262810	1	51	-1.0	-42.37	410.64	8.32	-34.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020262811	0	48	-1.0	-45.05	383.12	7.49	-37.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020262811	1	48	-1.0	-45.07	383.19	7.50	-37.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020262812	0	48	-1.0	-46.67	394.96	8.58	-38.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020262812	1	48	-1.0	-46.64	394.91	8.57	-38.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020262813	0	45	-1.0	-46.85	379.63	7.57	-39.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020262813	1	45	-1.0	-46.84	379.58	7.54	-39.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020262814	0	53	-1.0	-40.16	408.74	8.95	-31.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020262814	1	53	-1.0	-40.16	408.79	8.96	-31.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020262815	0	50	-1.0	-44.39	387.62	9.04	-35.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020262815	1	50	-1.0	-44.39	387.67	9.06	-35.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020262816	0	48	-1.0	-43.76	381.82	3.55	-40.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020262816	1	48	-1.0	-43.75	381.87	3.56	-40.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020262817	0	45	-1.0	-45.45	362.85	2.63	-42.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020262817	1	45	-1.0	-45.51	362.91	2.65	-42.86
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020262818	0	52	-1.0	-46.02	412.75	5.44	-40.58
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020262818	1	52	-1.0	-46.07	412.79	5.43	-40.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020262819	0	54	-1.0	-40.26	417.73	8.64	-31.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020262819	1	54	-1.0	-40.21	417.79	8.65	-31.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020262820	0	51	-1.0	-41.32	391.57	8.14	-33.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020262820	1	51	-1.0	-41.24	391.61	8.15	-33.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020262821	0	52	0.0	-62.94	405.06	8.59	-54.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020262821	1	52	0.0	-62.95	405.12	8.61	-54.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020262822	0	49	0.0	-60.31	383.53	7.84	-52.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020262822	1	49	0.0	-60.32	383.47	7.82	-52.50
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020262823	0	56	0.0	-67.53	419.28	10.56	-56.97
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020262823	1	56	0.0	-67.51	419.33	10.55	-56.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020262824	0	50	-1.0	-41.16	378.11	8.02	-33.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020262824	1	50	-1.0	-41.13	378.17	8.03	-33.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020262825	0	47	-1.0	-43.33	366.09	8.28	-35.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020262825	1	47	-1.0	-43.31	366.04	8.26	-35.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCOC)CC1	REAL300020262826	0	56	-1.0	-42.58	451.00	4.29	-38.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCOC)CC1	REAL300020262826	1	56	-1.0	-42.60	451.06	4.30	-38.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCOC)CC1	REAL300020262826	1	57	0.0	-66.12	451.84	6.63	-59.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCOC)CC1	REAL300020262827	0	53	-1.0	-45.12	430.86	3.53	-41.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCOC)CC1	REAL300020262827	1	53	-1.0	-45.11	430.92	3.57	-41.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCOC)CC1	REAL300020262827	1	54	0.0	-63.77	428.16	5.96	-57.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020262828	0	41	-1.0	-42.37	345.90	7.27	-35.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020262828	1	41	-1.0	-42.37	345.96	7.29	-35.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020262829	0	38	-1.0	-44.16	328.06	6.70	-37.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020262829	1	38	-1.0	-44.18	328.00	6.67	-37.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020262830	0	45	-1.0	-44.27	364.41	8.66	-35.61
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020262830	1	45	-1.0	-44.25	364.45	8.65	-35.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020262831	0	42	-1.0	-43.26	368.36	8.00	-35.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020262831	1	42	-1.0	-43.27	368.42	8.01	-35.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020262832	0	39	-1.0	-47.18	346.75	7.61	-39.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020262832	1	39	-1.0	-47.16	346.70	7.58	-39.58
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020262833	0	46	-1.0	-48.94	386.77	10.11	-38.83
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020262833	1	46	-1.0	-48.95	386.78	10.10	-38.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300020262834	0	52	-1.0	-48.29	398.80	8.40	-39.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300020262834	1	52	-1.0	-48.27	398.84	8.42	-39.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020262835	0	52	-1.0	-40.08	420.59	7.84	-32.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020262835	1	53	0.0	-67.99	423.04	10.09	-57.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020262835	1	52	-1.0	-40.09	420.65	7.85	-32.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020262836	0	49	-1.0	-42.57	400.65	7.09	-35.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020262836	1	50	0.0	-66.03	399.31	9.43	-56.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020262836	1	49	-1.0	-42.56	400.71	7.12	-35.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020262837	0	38	-1.0	-41.70	323.24	6.76	-34.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020262837	1	38	-1.0	-41.70	323.30	6.77	-34.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020262838	0	35	-1.0	-43.44	299.18	6.17	-37.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020262838	1	35	-1.0	-43.46	299.13	6.16	-37.30
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020262839	0	42	-1.0	-45.24	350.39	8.62	-36.62
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020262839	1	42	-1.0	-45.23	350.41	8.60	-36.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020262840	0	40	-1.0	-39.85	338.67	7.06	-32.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020262840	1	40	-1.0	-39.85	338.73	7.08	-32.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020262841	0	37	-1.0	-41.11	317.11	6.28	-34.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020262841	1	37	-1.0	-41.13	317.05	6.26	-34.87
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020262842	0	44	-1.0	-41.28	368.05	9.04	-32.24
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020262842	1	44	-1.0	-41.31	368.08	9.04	-32.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020262843	0	44	-1.0	-40.80	370.93	8.11	-32.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020262843	1	44	-1.0	-40.81	370.98	8.13	-32.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020262844	0	41	-1.0	-43.97	351.00	7.37	-36.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020262844	1	41	-1.0	-44.03	351.06	7.40	-36.63
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020262845	0	48	-1.0	-43.82	401.36	10.14	-33.68
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020262845	1	48	-1.0	-43.78	401.39	10.12	-33.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(CC)N=C1)C(C)C	REAL300020262846	0	52	-1.0	-41.86	412.33	8.30	-33.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(CC)N=C1)C(C)C	REAL300020262846	1	52	-1.0	-41.87	412.27	8.28	-33.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(CC)N=C1)C(C)C	REAL300020262847	0	49	-1.0	-46.86	383.83	7.11	-39.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(CC)N=C1)C(C)C	REAL300020262847	1	49	-1.0	-46.87	383.78	7.08	-39.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)(C(F)(F)F)C1	REAL300020262848	0	47	-1.0	-49.98	393.11	5.18	-44.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)(C(F)(F)F)C1	REAL300020262848	1	47	-1.0	-50.01	393.17	5.20	-44.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)(C(F)(F)F)C1	REAL300020262849	0	44	-1.0	-45.92	373.65	4.28	-41.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)(C(F)(F)F)C1	REAL300020262849	1	44	-1.0	-45.99	373.71	4.31	-41.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020262850	0	47	-1.0	-44.67	391.35	6.56	-38.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020262850	1	47	-1.0	-44.68	391.41	6.57	-38.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020262851	0	44	-1.0	-44.14	371.25	5.80	-38.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020262851	1	44	-1.0	-44.14	371.29	5.82	-38.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020262852	0	48	-1.0	-39.07	381.79	7.01	-32.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020262852	1	48	-1.0	-39.06	381.85	7.03	-32.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020262853	0	45	-1.0	-41.23	361.17	6.48	-34.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020262853	1	45	-1.0	-41.24	361.12	6.46	-34.78
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020262854	0	52	-1.0	-41.31	409.70	9.05	-32.26
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020262854	1	52	-1.0	-41.27	409.77	9.04	-32.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300020262855	0	50	-1.0	-40.09	383.10	8.07	-32.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300020262855	1	50	-1.0	-40.10	383.16	8.09	-32.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300020262856	0	47	-1.0	-42.88	376.13	8.72	-34.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300020262856	1	47	-1.0	-42.87	376.07	8.69	-34.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300020262857	0	54	-1.0	-42.63	407.70	10.73	-31.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300020262857	1	54	-1.0	-42.66	407.75	10.75	-31.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC)CC1	REAL300020262858	0	47	-1.0	-38.39	381.81	6.66	-31.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC)CC1	REAL300020262858	1	47	-1.0	-38.40	381.86	6.67	-31.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC)CC1	REAL300020262859	0	44	-1.0	-41.08	357.37	6.21	-34.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC)CC1	REAL300020262859	1	44	-1.0	-41.10	357.33	6.20	-34.90
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC)CC1	REAL300020262860	0	51	-1.0	-41.49	411.01	8.85	-32.64
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC)CC1	REAL300020262860	1	51	-1.0	-41.38	411.06	8.83	-32.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020262861	0	53	-1.0	-42.34	424.84	7.62	-34.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020262861	1	53	-1.0	-42.36	424.90	7.63	-34.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020262862	0	50	-1.0	-43.54	405.01	6.86	-36.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020262862	1	50	-1.0	-43.53	405.06	6.89	-36.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=C(OC)C=C1	REAL300020262863	0	55	-1.0	-42.85	446.55	8.40	-34.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=C(OC)C=C1	REAL300020262863	1	55	-1.0	-42.87	446.61	8.42	-34.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=C(OC)C=C1	REAL300020262864	0	52	-1.0	-47.01	424.99	7.64	-39.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=C(OC)C=C1	REAL300020262864	1	52	-1.0	-47.06	425.05	7.66	-39.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCCOC1	REAL300020262865	0	47	-1.0	-43.49	366.15	5.35	-38.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCCOC1	REAL300020262865	1	47	-1.0	-43.44	366.20	5.37	-38.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCCOC1	REAL300020262866	0	44	-1.0	-44.58	347.77	4.72	-39.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCCOC1	REAL300020262866	1	44	-1.0	-44.55	347.72	4.69	-39.86
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CCCOC1	REAL300020262867	0	51	-1.0	-43.53	398.95	8.36	-35.17
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CCCOC1	REAL300020262867	1	51	-1.0	-43.57	399.02	8.35	-35.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020262868	0	52	-1.0	-41.29	424.52	10.37	-30.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020262868	1	52	-1.0	-41.24	424.57	10.39	-30.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020262869	0	49	-1.0	-44.70	406.68	9.20	-35.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020262869	1	49	-1.0	-44.70	406.63	9.18	-35.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020262870	0	51	-1.0	-40.72	399.58	7.81	-32.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020262870	1	51	-1.0	-40.71	399.64	7.83	-32.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020262871	0	48	-1.0	-41.72	380.68	6.92	-34.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020262871	1	48	-1.0	-41.76	380.62	6.90	-34.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020262872	0	50	-1.0	-41.92	395.96	7.17	-34.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020262872	1	50	-1.0	-41.83	396.02	7.18	-34.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020262873	0	47	-1.0	-44.04	382.58	6.67	-37.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020262873	1	47	-1.0	-44.07	382.53	6.65	-37.42
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020262874	0	54	-1.0	-42.68	420.80	9.34	-33.34
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020262874	1	54	-1.0	-42.70	420.83	9.32	-33.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020262875	0	50	-1.0	-40.68	379.49	8.92	-31.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020262875	1	50	-1.0	-40.66	379.55	8.94	-31.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020262876	0	47	-1.0	-41.36	367.44	9.32	-32.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020262876	1	47	-1.0	-41.30	367.38	9.29	-32.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020262877	0	46	-1.0	-46.37	378.06	4.20	-42.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020262877	1	46	-1.0	-46.42	378.11	4.22	-42.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020262878	0	43	-1.0	-46.36	353.28	3.35	-43.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020262878	1	43	-1.0	-46.39	353.19	3.33	-43.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020262879	0	50	-1.0	-47.38	397.48	8.87	-38.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020262879	1	50	-1.0	-47.35	397.54	8.89	-38.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020262880	0	47	-1.0	-43.42	391.28	8.67	-34.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020262880	1	47	-1.0	-43.45	391.23	8.66	-34.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020262881	0	44	-1.0	-40.93	383.35	8.30	-32.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020262881	1	44	-1.0	-40.89	383.41	8.32	-32.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020262882	0	41	-1.0	-43.83	358.90	7.55	-36.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020262882	1	41	-1.0	-43.82	358.95	7.56	-36.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCSC	REAL300020262883	0	43	-1.0	-41.48	360.85	6.71	-34.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCSC	REAL300020262883	1	43	-1.0	-41.47	360.91	6.73	-34.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCSC	REAL300020262884	0	40	-1.0	-45.48	338.74	6.00	-39.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCSC	REAL300020262884	1	40	-1.0	-45.48	338.69	5.97	-39.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCSC	REAL300020262885	0	47	-1.0	-44.21	388.03	8.62	-35.59
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCSC	REAL300020262885	1	47	-1.0	-44.21	388.07	8.62	-35.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020262886	0	49	-1.0	-46.81	388.37	5.60	-41.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020262886	1	49	-1.0	-46.81	388.43	5.62	-41.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020262887	0	46	-1.0	-49.76	370.40	4.67	-45.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020262887	1	46	-1.0	-49.83	370.34	4.64	-45.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020262888	0	50	-1.0	-42.44	398.82	9.75	-32.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020262888	1	50	-1.0	-42.40	398.88	9.76	-32.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020262889	0	47	-1.0	-43.97	379.71	9.04	-34.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020262889	1	47	-1.0	-43.98	379.65	9.01	-34.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020262890	0	44	-1.0	-40.56	372.43	8.40	-32.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020262890	1	44	-1.0	-40.63	372.49	8.42	-32.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020262891	0	41	-1.0	-40.80	350.51	7.59	-33.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020262891	1	41	-1.0	-40.87	350.57	7.61	-33.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020262892	0	48	-1.0	-41.32	396.29	10.11	-31.21
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020262892	1	48	-1.0	-41.30	396.31	10.10	-31.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020262893	0	41	-1.0	-42.82	345.08	4.70	-38.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020262893	1	41	-1.0	-42.82	345.13	4.71	-38.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020262894	0	38	-1.0	-43.73	311.14	3.98	-39.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020262894	1	38	-1.0	-43.73	311.08	3.95	-39.78
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020262895	0	45	-1.0	-44.55	369.45	6.82	-37.73
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020262895	1	45	-1.0	-44.60	369.47	6.81	-37.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020262896	0	50	-1.0	-39.94	416.83	10.50	-29.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020262896	1	50	-1.0	-39.95	416.89	10.51	-29.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020262897	0	47	-1.0	-42.80	395.88	9.66	-33.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020262897	1	47	-1.0	-42.78	395.82	9.63	-33.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020262898	0	56	-1.0	-38.39	425.12	10.29	-28.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020262898	1	56	-1.0	-38.37	425.18	10.30	-28.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020262899	0	53	-1.0	-40.60	401.39	9.62	-30.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020262899	1	53	-1.0	-40.53	401.43	9.64	-30.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020262900	0	49	-1.0	-50.19	400.71	10.39	-39.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020262900	1	49	-1.0	-50.19	400.65	10.37	-39.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020262901	0	46	-1.0	-52.75	376.88	9.72	-43.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020262901	1	46	-1.0	-52.69	376.83	9.70	-42.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020262902	0	47	-1.0	-53.23	388.70	5.24	-47.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020262902	1	47	-1.0	-53.19	388.76	5.26	-47.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020262903	0	44	-1.0	-44.62	371.52	5.47	-39.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020262903	1	44	-1.0	-44.60	371.47	5.46	-39.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020262904	0	48	-1.0	-41.43	402.46	10.21	-31.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020262904	1	48	-1.0	-41.40	402.52	10.22	-31.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020262905	0	45	-1.0	-41.21	385.76	9.23	-31.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020262905	1	45	-1.0	-41.21	385.70	9.21	-32.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300020262906	0	48	-1.0	-49.29	395.77	9.12	-40.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300020262906	1	48	-1.0	-49.30	395.71	9.09	-40.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020262907	0	51	-1.0	-40.98	410.92	8.99	-31.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020262907	1	51	-1.0	-40.94	410.97	9.01	-31.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020262908	0	48	-1.0	-44.09	387.80	8.18	-35.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020262908	1	48	-1.0	-44.09	387.74	8.16	-35.93
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020262909	0	50	-1.0	-44.84	413.59	8.77	-36.07
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020262909	1	50	-1.0	-44.88	413.65	8.78	-36.10
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020262910	0	47	-1.0	-44.85	394.94	8.03	-36.82
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020262910	1	47	-1.0	-44.82	394.89	8.00	-36.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020262911	0	46	-1.0	-48.58	372.98	5.90	-42.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020262911	1	46	-1.0	-48.53	373.04	5.91	-42.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020262912	0	43	-1.0	-48.13	351.54	5.14	-42.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020262912	1	43	-1.0	-48.15	351.48	5.11	-43.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020262913	0	41	-1.0	-40.60	327.67	7.15	-33.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020262913	1	41	-1.0	-40.55	327.73	7.17	-33.38
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020262914	0	45	-1.0	-42.50	356.86	9.25	-33.25
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020262914	1	45	-1.0	-42.49	356.88	9.24	-33.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020262915	0	48	-1.0	-39.53	381.48	6.39	-33.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020262915	1	48	-1.0	-39.54	381.53	6.41	-33.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020262916	0	45	-1.0	-41.71	357.85	5.73	-35.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020262916	1	45	-1.0	-41.71	357.80	5.71	-36.00
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020262917	0	52	-1.0	-41.50	407.21	7.71	-33.79
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020262917	1	52	-1.0	-41.46	407.25	7.70	-33.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020262918	0	50	-1.0	-41.98	396.13	4.35	-37.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020262918	1	50	-1.0	-42.02	396.19	4.36	-37.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020262918	1	51	0.0	-68.30	394.43	6.74	-61.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020262919	0	47	-1.0	-42.98	362.92	3.81	-39.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020262919	1	47	-1.0	-43.00	362.95	3.84	-39.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020262919	1	48	0.0	-64.18	372.89	5.88	-58.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020262920	0	53	-1.0	-40.00	404.04	9.78	-30.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020262920	1	53	-1.0	-40.01	404.10	9.80	-30.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020262921	0	50	-1.0	-41.51	374.74	8.94	-32.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020262921	1	50	-1.0	-41.50	374.78	8.95	-32.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020262922	0	50	-1.0	-43.08	417.81	3.46	-39.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020262922	1	50	-1.0	-43.09	417.87	3.48	-39.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020262923	0	47	-1.0	-44.55	397.12	2.74	-41.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020262923	1	47	-1.0	-44.51	397.18	2.77	-41.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020262924	0	56	0.0	-67.31	429.34	10.66	-56.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020262924	1	56	0.0	-66.44	429.10	10.82	-55.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020262924	1	56	0.0	-67.33	429.39	10.67	-56.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020262924	1	56	0.0	-66.41	429.15	10.83	-55.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020262925	0	47	-1.0	-39.64	387.85	9.65	-29.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020262925	1	47	-1.0	-39.66	387.91	9.67	-29.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020262926	0	44	-1.0	-45.44	356.31	7.75	-37.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020262926	1	44	-1.0	-45.45	356.25	7.73	-37.72
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020262927	0	51	-1.0	-43.13	404.67	10.82	-32.31
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020262927	1	51	-1.0	-43.06	404.73	10.81	-32.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020262928	0	53	-1.0	-39.42	426.64	10.90	-28.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020262928	1	53	-1.0	-39.42	426.70	10.91	-28.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020262929	0	50	-1.0	-42.95	402.92	10.16	-32.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020262929	1	50	-1.0	-42.96	402.85	10.14	-32.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(Cl)=C2C1	REAL300020262930	0	41	-1.0	-45.47	364.10	7.87	-37.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(Cl)=C2C1	REAL300020262930	1	41	-1.0	-45.45	364.05	7.84	-37.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCF)CCOC	REAL300020262931	0	43	-1.0	-40.95	355.19	4.51	-36.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCF)CCOC	REAL300020262931	1	43	-1.0	-40.99	355.25	4.52	-36.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCF)CCOC	REAL300020262932	0	40	-1.0	-43.66	335.13	3.85	-39.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCF)CCOC	REAL300020262932	1	40	-1.0	-43.67	335.07	3.82	-39.85
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCF)CCOC	REAL300020262933	0	47	-1.0	-43.36	384.67	6.59	-36.77
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCF)CCOC	REAL300020262933	1	47	-1.0	-43.35	384.70	6.58	-36.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020262934	0	51	-1.0	-41.93	418.38	9.63	-32.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020262934	1	51	-1.0	-41.90	418.44	9.64	-32.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020262935	0	48	-1.0	-47.14	387.72	8.03	-39.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020262935	1	48	-1.0	-47.16	387.67	8.01	-39.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020262936	0	48	-1.0	-42.56	386.22	5.11	-37.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020262936	1	48	-1.0	-42.54	386.27	5.13	-37.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020262937	0	45	-1.0	-44.01	362.60	4.46	-39.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020262937	1	45	-1.0	-44.02	362.55	4.43	-39.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020262938	0	45	-1.0	-42.08	361.62	4.43	-37.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020262938	1	45	-1.0	-42.07	361.68	4.45	-37.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020262939	0	42	-1.0	-42.68	338.71	3.92	-38.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020262939	1	42	-1.0	-42.67	338.66	3.90	-38.77
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1COCCO1	REAL300020262940	0	49	-1.0	-44.89	396.48	6.57	-38.32
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1COCCO1	REAL300020262940	1	49	-1.0	-44.86	396.49	6.57	-38.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020262941	0	45	-1.0	-39.30	372.15	6.22	-33.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020262941	1	45	-1.0	-39.30	372.21	6.23	-33.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020262942	0	42	-1.0	-40.95	346.41	5.52	-35.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020262942	1	42	-1.0	-40.93	346.36	5.50	-35.43
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CCCOC1	REAL300020262943	0	49	-1.0	-41.76	388.32	8.15	-33.61
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CCCOC1	REAL300020262943	1	49	-1.0	-41.73	388.42	8.14	-33.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C(F)=C1	REAL300020262944	0	51	-1.0	-45.21	405.86	7.86	-37.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C(F)=C1	REAL300020262944	1	51	-1.0	-45.21	405.91	7.88	-37.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C(F)=C1	REAL300020262945	0	48	-1.0	-44.46	399.82	8.55	-35.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C(F)=C1	REAL300020262945	1	48	-1.0	-44.43	399.77	8.53	-35.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020262946	0	53	-1.0	-40.07	395.12	9.13	-30.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020262946	1	53	-1.0	-40.09	395.18	9.14	-30.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020262947	0	50	-1.0	-40.88	372.53	8.49	-32.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020262947	1	50	-1.0	-40.91	372.58	8.52	-32.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C3=CC=CC=C3)C(C1)C2(F)F	REAL300020262948	0	48	-1.0	-43.20	382.05	9.28	-33.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C3=CC=CC=C3)C(C1)C2(F)F	REAL300020262948	1	48	-1.0	-43.21	382.11	9.30	-33.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020262949	0	48	-1.0	-40.17	370.41	5.75	-34.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020262949	1	48	-1.0	-40.16	370.47	5.77	-34.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020262950	0	45	-1.0	-41.56	343.75	5.09	-36.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020262950	1	45	-1.0	-41.56	343.70	5.08	-36.48
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020262951	0	52	-1.0	-41.65	399.81	7.83	-33.82
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020262951	1	52	-1.0	-41.60	399.85	7.82	-33.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020262952	0	45	-1.0	-42.42	366.11	1.58	-40.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020262952	1	45	-1.0	-42.41	366.16	1.59	-40.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020262953	0	42	-1.0	-45.52	346.27	0.85	-44.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020262953	1	42	-1.0	-45.54	346.21	0.83	-44.71
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(O)(CO)CC1	REAL300020262954	0	49	-1.0	-44.21	391.14	3.54	-40.67
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(O)(CO)CC1	REAL300020262954	1	49	-1.0	-44.23	391.21	3.53	-40.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020262955	0	50	-1.0	-38.67	394.57	9.49	-29.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020262955	1	50	-1.0	-38.66	394.63	9.50	-29.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020262956	0	47	-1.0	-41.13	370.78	8.83	-32.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020262956	1	47	-1.0	-41.12	370.74	8.82	-32.30
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020262957	0	54	-1.0	-41.72	421.09	11.44	-30.28
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020262957	1	54	-1.0	-41.70	421.17	11.42	-30.28
C=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)C1	REAL300020262958	0	47	-1.0	-40.03	381.43	8.53	-31.50
C=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)C1	REAL300020262958	1	47	-1.0	-40.04	381.49	8.54	-31.50
C=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)C1	REAL300020262959	0	44	-1.0	-41.31	361.08	7.79	-33.52
C=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)C1	REAL300020262959	1	44	-1.0	-41.36	361.02	7.77	-33.59
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)C1	REAL300020262960	0	51	-1.0	-41.33	410.10	10.53	-30.80
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)C1	REAL300020262960	1	51	-1.0	-41.24	410.17	10.52	-30.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC)C=C1	REAL300020262961	0	40	-1.0	-44.68	343.84	8.69	-35.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC)C=C1	REAL300020262961	1	40	-1.0	-44.67	343.79	8.67	-36.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC)C=C1	REAL300020262962	0	37	-1.0	-46.57	322.36	7.91	-38.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC)C=C1	REAL300020262962	1	37	-1.0	-46.56	322.31	7.88	-38.68
C=CCN1C(NC2=NN(CC)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020262963	0	44	-1.0	-46.21	372.78	10.62	-35.59
C=CCN1C(NC2=NN(CC)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020262963	1	44	-1.0	-46.22	372.75	10.64	-35.58
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)C1	REAL300020262964	0	45	-1.0	-39.46	375.38	8.51	-30.95
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)C1	REAL300020262964	1	45	-1.0	-39.42	375.44	8.53	-30.89
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)C1	REAL300020262965	0	42	-1.0	-42.54	352.31	7.91	-34.63
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)C1	REAL300020262965	1	42	-1.0	-42.52	352.25	7.88	-34.64
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)C1	REAL300020262966	0	49	-1.0	-41.81	404.26	10.53	-31.28
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)C1	REAL300020262966	1	49	-1.0	-41.75	404.33	10.52	-31.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020262967	0	58	-1.0	-38.83	427.92	9.74	-29.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020262967	1	58	-1.0	-38.83	427.98	9.76	-29.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020262968	0	55	-1.0	-44.17	400.18	9.02	-35.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020262968	1	55	-1.0	-44.18	400.24	9.05	-35.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020262969	0	55	-1.0	-40.17	399.69	8.70	-31.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020262969	1	55	-1.0	-40.21	399.75	8.71	-31.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020262970	0	52	-1.0	-43.45	375.01	9.40	-34.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020262970	1	52	-1.0	-43.46	374.95	9.37	-34.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020262971	0	53	-1.0	-40.91	414.56	12.29	-28.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020262971	1	53	-1.0	-40.90	414.61	12.31	-28.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020262972	0	50	-1.0	-45.33	364.59	8.02	-37.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020262972	1	50	-1.0	-45.33	364.54	7.99	-37.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020262973	0	46	-1.0	-45.51	380.82	6.28	-39.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020262973	1	46	-1.0	-45.53	380.77	6.27	-39.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020262974	0	43	-1.0	-54.68	358.00	5.68	-49.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020262974	1	43	-1.0	-54.67	357.94	5.66	-49.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C(F)(C(=O)OCC)C1	REAL300020262975	0	50	-1.0	-45.37	409.10	8.45	-36.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C(F)(C(=O)OCC)C1	REAL300020262975	1	50	-1.0	-45.39	409.15	8.46	-36.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020262976	0	53	-1.0	-40.55	381.34	8.09	-32.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020262976	1	53	-1.0	-40.54	381.40	8.10	-32.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020262977	0	50	-1.0	-42.40	357.71	7.39	-35.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020262977	1	50	-1.0	-42.42	357.67	7.37	-35.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020262978	0	56	-1.0	-40.52	440.33	8.51	-32.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020262978	1	56	-1.0	-40.55	440.38	8.52	-32.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020262979	0	53	-1.0	-43.78	418.64	7.71	-36.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020262979	1	53	-1.0	-43.81	418.70	7.73	-36.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020262980	0	54	-1.0	-42.95	411.87	7.03	-35.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020262980	1	54	-1.0	-42.92	411.93	7.04	-35.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020262981	0	51	-1.0	-43.04	405.12	6.76	-36.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020262981	1	51	-1.0	-43.05	405.17	6.78	-36.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020262982	0	44	-1.0	-43.39	369.16	7.70	-35.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020262982	1	44	-1.0	-43.38	369.21	7.71	-35.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020262983	0	41	-1.0	-44.09	345.88	7.09	-37.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020262983	1	41	-1.0	-44.09	345.82	7.07	-37.02
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020262984	0	48	-1.0	-45.12	397.84	9.70	-35.42
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020262984	1	48	-1.0	-45.04	397.89	9.69	-35.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020262985	0	53	-1.0	-39.19	387.93	9.12	-30.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020262985	1	53	-1.0	-39.14	387.99	9.13	-30.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020262986	0	50	-1.0	-43.44	378.41	8.89	-34.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020262986	1	50	-1.0	-43.45	378.46	8.91	-34.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C(C)CC	REAL300020262987	0	45	-1.0	-38.97	349.95	7.74	-31.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C(C)CC	REAL300020262987	1	45	-1.0	-39.02	350.01	7.76	-31.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C(C)CC	REAL300020262988	0	49	-1.0	-41.70	386.68	9.42	-32.28
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C(C)CC	REAL300020262988	1	49	-1.0	-41.70	386.72	9.41	-32.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020262989	0	51	-1.0	-39.62	373.63	8.66	-30.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020262989	1	51	-1.0	-39.64	373.69	8.67	-30.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020262990	0	48	-1.0	-45.32	351.99	8.18	-37.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020262990	1	48	-1.0	-45.31	351.93	8.16	-37.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020262991	0	46	-1.0	-44.66	372.04	5.04	-39.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020262991	1	46	-1.0	-44.69	372.10	5.05	-39.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020262992	0	43	-1.0	-45.21	345.24	4.55	-40.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020262992	1	43	-1.0	-45.21	345.18	4.52	-40.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020262993	0	47	-1.0	-39.83	388.65	8.40	-31.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020262993	1	47	-1.0	-39.83	388.71	8.42	-31.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020262994	0	44	-1.0	-41.69	364.93	7.75	-33.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020262994	1	44	-1.0	-41.70	364.89	7.74	-33.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020262995	0	48	-1.0	-39.54	380.32	7.15	-32.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020262995	1	48	-1.0	-39.56	380.38	7.17	-32.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020262996	0	45	-1.0	-42.89	360.65	6.44	-36.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020262996	1	45	-1.0	-42.91	360.59	6.42	-36.49
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020262997	0	52	-1.0	-42.54	410.76	9.17	-33.37
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020262997	1	52	-1.0	-42.51	410.80	9.16	-33.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020262998	0	51	-1.0	-43.20	414.99	9.34	-33.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020262998	1	51	-1.0	-43.17	415.04	9.35	-33.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020262999	0	48	-1.0	-45.15	387.28	8.59	-36.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020262999	1	48	-1.0	-45.14	387.23	8.58	-36.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020263000	0	52	-1.0	-40.68	396.72	9.06	-31.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020263000	1	52	-1.0	-40.67	396.77	9.08	-31.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020263001	0	49	-1.0	-43.87	372.07	8.05	-35.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020263001	1	49	-1.0	-43.86	372.02	8.02	-35.84
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020263002	0	56	-1.0	-42.72	429.42	11.22	-31.50
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020263002	1	56	-1.0	-42.72	429.45	11.21	-31.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1COC(C)(C)C1	REAL300020263003	0	54	-1.0	-42.78	422.73	8.03	-34.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1COC(C)(C)C1	REAL300020263003	1	54	-1.0	-42.78	422.68	8.02	-34.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020263004	0	47	-1.0	-45.49	407.71	7.43	-38.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020263004	1	47	-1.0	-45.51	407.77	7.45	-38.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020263005	0	44	-1.0	-47.98	391.70	6.61	-41.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020263005	1	44	-1.0	-47.96	391.76	6.64	-41.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020263006	0	47	-1.0	-43.14	392.11	6.70	-36.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020263006	1	47	-1.0	-43.15	392.17	6.72	-36.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020263007	0	44	-1.0	-47.05	366.93	6.16	-40.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020263007	1	44	-1.0	-47.07	366.98	6.17	-40.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020263008	0	52	-1.0	-39.08	393.58	9.09	-29.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020263008	1	52	-1.0	-39.12	393.64	9.11	-30.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020263009	0	49	-1.0	-43.15	369.67	8.36	-34.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020263009	1	49	-1.0	-43.16	369.61	8.34	-34.82
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020263010	0	56	-1.0	-42.28	418.05	11.24	-31.04
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020263010	1	56	-1.0	-42.23	418.09	11.23	-31.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020263011	0	48	-1.0	-46.24	377.60	3.30	-42.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020263011	1	48	-1.0	-46.29	377.66	3.32	-42.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020263012	0	45	-1.0	-50.33	368.54	3.14	-47.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020263012	1	45	-1.0	-50.31	368.58	3.15	-47.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020263013	0	47	-1.0	-43.25	388.37	7.38	-35.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020263013	1	47	-1.0	-43.20	388.32	7.36	-35.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020263014	0	44	-1.0	-44.62	366.25	6.81	-37.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020263014	1	44	-1.0	-44.64	366.20	6.79	-37.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020263015	0	46	-1.0	-40.47	373.04	8.05	-32.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020263015	1	46	-1.0	-40.45	373.10	8.07	-32.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020263016	0	43	-1.0	-43.75	353.20	7.33	-36.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020263016	1	43	-1.0	-43.73	353.14	7.30	-36.43
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CCF)C1	REAL300020263017	0	50	-1.0	-42.43	400.95	9.99	-32.44
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CCF)C1	REAL300020263017	1	50	-1.0	-42.42	400.95	9.98	-32.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCOC)CC1	REAL300020263018	0	53	-1.0	-40.78	421.04	7.98	-32.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCOC)CC1	REAL300020263018	1	53	-1.0	-40.72	421.10	8.00	-32.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCOC)CC1	REAL300020263019	0	50	-1.0	-42.86	397.92	7.11	-35.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCOC)CC1	REAL300020263019	1	50	-1.0	-42.87	397.96	7.13	-35.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020263020	0	45	-1.0	-43.40	359.98	5.49	-37.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020263020	1	45	-1.0	-43.38	360.04	5.50	-37.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020263021	0	42	-1.0	-45.05	328.07	4.76	-40.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020263021	1	42	-1.0	-45.01	328.03	4.75	-40.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020263022	0	49	-1.0	-43.00	385.14	7.49	-35.51
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020263022	1	49	-1.0	-42.94	385.17	7.49	-35.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020263023	0	54	-1.0	-43.34	421.90	8.98	-34.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020263023	1	54	-1.0	-43.38	421.96	8.99	-34.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020263024	0	51	-1.0	-45.96	396.13	8.28	-37.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020263024	1	51	-1.0	-45.88	396.09	8.26	-37.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020263025	0	47	-1.0	-40.62	360.91	6.59	-34.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020263025	1	47	-1.0	-40.62	360.97	6.61	-34.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020263026	0	44	-1.0	-43.03	339.46	5.83	-37.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020263026	1	44	-1.0	-43.01	339.40	5.81	-37.20
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020263027	0	51	-1.0	-42.41	390.41	8.61	-33.80
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020263027	1	51	-1.0	-42.40	390.42	8.60	-33.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=CC=C1F	REAL300020263028	0	49	-1.0	-43.19	395.71	9.24	-33.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=CC=C1F	REAL300020263028	1	49	-1.0	-43.16	395.77	9.26	-33.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=CC=C1F	REAL300020263029	0	46	-1.0	-46.09	376.02	8.65	-37.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=CC=C1F	REAL300020263029	1	46	-1.0	-46.05	375.95	8.63	-37.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020263030	0	43	-1.0	-41.41	340.96	7.90	-33.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020263030	1	43	-1.0	-41.44	341.01	7.92	-33.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020263031	0	40	-1.0	-44.29	328.96	6.67	-37.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020263031	1	40	-1.0	-44.36	328.91	6.65	-37.71
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)CC1	REAL300020263032	0	47	-1.0	-43.20	369.98	9.89	-33.31
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)CC1	REAL300020263032	1	47	-1.0	-43.18	370.01	9.88	-33.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020263033	0	50	-1.0	-44.14	420.24	2.69	-41.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020263033	1	50	-1.0	-44.14	420.18	2.68	-41.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020263034	0	47	-1.0	-44.91	396.50	2.03	-42.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020263034	1	47	-1.0	-44.91	396.45	2.00	-42.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020263035	0	48	-1.0	-39.85	413.18	7.67	-32.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020263035	1	48	-1.0	-39.85	413.24	7.68	-32.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020263036	0	45	-1.0	-46.26	389.30	6.81	-39.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020263036	1	45	-1.0	-46.27	389.24	6.78	-39.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020263037	0	42	-1.0	-47.64	351.09	4.82	-42.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020263037	1	42	-1.0	-47.65	351.15	4.83	-42.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020263038	0	39	-1.0	-49.29	340.92	4.11	-45.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020263038	1	39	-1.0	-49.22	340.87	4.09	-45.13
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020263039	0	46	-1.0	-49.32	384.19	6.88	-42.44
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020263039	1	46	-1.0	-49.32	384.32	6.87	-42.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020263040	0	49	-1.0	-39.52	387.04	7.72	-31.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020263040	1	49	-1.0	-39.50	387.10	7.73	-31.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020263041	0	46	-1.0	-41.81	361.38	6.97	-34.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020263041	1	46	-1.0	-41.74	361.33	6.95	-34.79
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020263042	0	53	-1.0	-42.31	396.05	9.04	-33.27
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020263042	1	53	-1.0	-42.30	396.08	9.02	-33.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020263043	0	54	-1.0	-39.99	412.96	8.53	-31.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020263043	1	54	-1.0	-39.98	413.02	8.55	-31.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020263044	0	51	-1.0	-41.25	393.69	7.71	-33.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020263044	1	51	-1.0	-41.28	393.74	7.72	-33.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020263045	0	54	-1.0	-41.72	418.45	8.47	-33.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020263045	1	54	-1.0	-41.71	418.51	8.49	-33.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020263046	0	51	-1.0	-46.26	399.05	7.52	-38.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020263046	1	51	-1.0	-46.25	399.11	7.55	-38.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020263047	0	42	-1.0	-42.96	343.03	4.70	-38.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020263047	1	42	-1.0	-42.99	343.09	4.71	-38.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020263048	0	39	-1.0	-44.36	325.14	4.06	-40.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020263048	1	39	-1.0	-44.35	325.08	4.03	-40.32
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020263049	0	46	-1.0	-44.11	375.63	6.79	-37.32
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020263049	1	46	-1.0	-44.05	375.64	6.78	-37.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020263050	0	47	-1.0	-51.59	378.12	5.93	-45.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020263050	1	47	-1.0	-51.57	378.18	5.95	-45.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020263051	0	44	-1.0	-54.23	347.76	4.69	-49.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020263051	1	44	-1.0	-54.22	347.71	4.67	-49.55
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020263052	0	51	-1.0	-51.91	400.48	7.62	-44.29
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020263052	1	51	-1.0	-51.80	401.73	7.59	-44.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020263053	0	42	-1.0	-40.16	339.18	7.17	-32.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020263053	1	42	-1.0	-40.19	339.23	7.19	-33.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020263054	0	39	-1.0	-42.18	330.33	6.99	-35.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020263054	1	39	-1.0	-42.18	330.28	6.97	-35.21
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020263055	0	46	-1.0	-41.41	382.61	9.92	-31.49
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020263055	1	46	-1.0	-41.32	382.69	9.90	-31.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020263056	0	48	-1.0	-49.39	397.12	2.82	-46.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020263056	1	48	-1.0	-49.38	397.18	2.83	-46.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020263057	0	45	-1.0	-52.14	371.19	2.10	-50.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020263057	1	45	-1.0	-52.11	371.24	2.12	-49.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020263058	0	48	-1.0	-48.67	393.86	3.23	-45.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020263058	1	48	-1.0	-48.68	393.92	3.24	-45.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020263059	0	45	-1.0	-49.88	369.50	2.31	-47.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020263059	1	45	-1.0	-49.90	369.54	2.33	-47.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020263060	0	49	-1.0	-44.31	414.88	4.90	-39.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020263060	1	49	-1.0	-44.32	414.94	4.91	-39.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020263061	0	46	-1.0	-46.69	387.20	4.24	-42.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020263061	1	46	-1.0	-46.68	387.26	4.27	-42.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020263062	0	50	-1.0	-47.24	401.83	1.55	-45.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020263062	1	50	-1.0	-47.24	401.89	1.56	-45.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020263063	0	47	-1.0	-50.42	394.36	1.47	-48.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020263063	1	47	-1.0	-50.42	394.42	1.50	-48.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020263064	0	48	-1.0	-40.72	384.19	7.71	-33.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020263064	1	48	-1.0	-40.73	384.25	7.72	-33.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020263065	0	45	-1.0	-44.23	360.73	6.91	-37.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020263065	1	45	-1.0	-44.24	360.67	6.89	-37.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020263066	0	45	-1.0	-42.88	370.83	2.90	-39.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020263066	1	45	-1.0	-42.91	370.89	2.92	-39.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020263067	0	42	-1.0	-43.58	347.23	2.26	-41.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020263067	1	42	-1.0	-43.52	347.18	2.24	-41.28
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020263068	0	49	-1.0	-48.63	405.00	4.83	-43.80
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020263068	1	49	-1.0	-48.52	405.06	4.82	-43.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020263069	0	46	-1.0	-46.31	375.29	5.98	-40.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020263069	1	46	-1.0	-46.29	375.34	5.99	-40.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020263070	0	43	-1.0	-46.36	364.56	4.46	-41.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020263070	1	43	-1.0	-46.33	364.50	4.43	-41.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C(C)C1	REAL300020263071	0	55	-1.0	-41.92	428.61	9.32	-32.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C(C)C1	REAL300020263071	1	55	-1.0	-41.92	428.67	9.35	-32.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020263072	0	44	-1.0	-41.26	360.88	5.51	-35.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020263072	1	44	-1.0	-41.29	360.94	5.52	-35.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020263073	0	41	-1.0	-44.44	338.19	4.90	-39.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020263073	1	41	-1.0	-44.38	338.25	4.92	-39.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020263074	0	47	-1.0	-44.38	379.37	5.70	-38.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020263074	1	47	-1.0	-44.44	379.43	5.71	-38.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020263075	0	44	-1.0	-46.10	353.54	4.98	-41.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020263075	1	44	-1.0	-46.10	353.59	5.00	-41.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020263076	0	50	-1.0	-45.20	408.41	9.13	-36.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020263076	1	50	-1.0	-45.17	408.47	9.15	-36.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020263077	0	47	-1.0	-47.47	385.61	8.53	-38.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020263077	1	47	-1.0	-47.51	385.57	8.50	-39.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020263078	0	47	-1.0	-46.53	394.04	5.66	-40.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020263078	1	47	-1.0	-46.55	394.10	5.68	-40.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020263079	0	44	-1.0	-46.80	375.32	4.99	-41.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020263079	1	44	-1.0	-46.82	375.27	4.97	-41.85
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020263080	0	51	-1.0	-47.59	425.48	7.73	-39.86
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020263080	1	51	-1.0	-47.60	425.53	7.73	-39.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020263081	0	50	-1.0	-43.66	401.88	2.27	-41.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020263081	1	50	-1.0	-43.70	401.94	2.29	-41.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020263082	0	47	-1.0	-45.64	380.04	1.49	-44.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020263082	1	47	-1.0	-45.62	379.98	1.47	-44.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020263083	0	44	-1.0	-43.50	356.39	5.46	-38.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020263083	1	44	-1.0	-43.53	356.45	5.47	-38.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020263084	0	41	-1.0	-43.05	333.31	3.64	-39.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020263084	1	41	-1.0	-43.06	333.25	3.61	-39.45
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1(C)COC1	REAL300020263085	0	48	-1.0	-42.79	375.07	7.62	-35.17
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1(C)COC1	REAL300020263085	1	48	-1.0	-42.72	375.11	7.61	-35.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CC	REAL300020263086	0	54	-1.0	-38.69	422.96	9.50	-29.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CC	REAL300020263086	1	54	-1.0	-38.68	423.01	9.51	-29.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CC	REAL300020263087	0	51	-1.0	-41.68	401.59	8.78	-32.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CC	REAL300020263087	1	51	-1.0	-41.71	401.65	8.80	-32.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC(CC)CC	REAL300020263088	0	58	-1.0	-41.01	445.04	11.60	-29.41
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC(CC)CC	REAL300020263088	1	58	-1.0	-41.03	445.07	11.59	-29.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020263089	0	50	-1.0	-40.67	394.66	9.45	-31.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020263089	1	50	-1.0	-40.69	394.72	9.47	-31.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020263090	0	47	-1.0	-41.60	374.48	8.73	-32.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020263090	1	47	-1.0	-41.57	374.42	8.71	-32.86
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020263091	0	54	-1.0	-41.08	419.38	11.41	-29.67
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020263091	1	54	-1.0	-41.01	419.35	11.40	-29.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020263092	0	46	-1.0	-42.57	381.10	7.46	-35.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020263092	1	46	-1.0	-42.60	381.16	7.48	-35.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020263093	0	43	-1.0	-44.05	357.41	6.82	-37.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020263093	1	43	-1.0	-44.07	357.37	6.79	-37.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020263094	0	42	-1.0	-42.76	353.88	5.16	-37.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020263094	1	42	-1.0	-42.78	353.94	5.18	-37.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020263095	0	39	-1.0	-43.14	331.83	4.35	-38.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020263095	1	39	-1.0	-43.14	331.77	4.32	-38.82
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020263096	0	46	-1.0	-43.58	376.58	6.84	-36.74
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020263096	1	46	-1.0	-43.60	376.61	6.83	-36.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CCCC	REAL300020263097	0	60	-1.0	-38.63	465.95	11.04	-27.59
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CCCC	REAL300020263097	1	60	-1.0	-38.62	466.01	11.06	-27.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CCCC	REAL300020263098	0	57	-1.0	-41.59	444.59	10.32	-31.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CCCC	REAL300020263098	1	57	-1.0	-41.60	444.65	10.35	-31.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020263099	0	47	-1.0	-41.70	387.30	6.77	-34.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020263099	1	47	-1.0	-41.67	387.35	6.79	-34.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020263100	0	44	-1.0	-43.26	352.49	5.57	-37.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020263100	1	44	-1.0	-43.27	352.55	5.59	-37.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020263101	0	52	-1.0	-47.73	413.55	9.32	-38.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020263101	1	52	-1.0	-47.71	413.60	9.34	-38.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020263102	0	51	-1.0	-48.47	411.25	7.69	-40.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020263102	1	51	-1.0	-48.49	411.31	7.71	-40.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020263103	0	48	-1.0	-51.71	389.75	6.91	-44.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020263103	1	48	-1.0	-51.74	389.81	6.93	-44.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020263104	0	51	-1.0	-48.47	411.25	7.69	-40.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020263104	1	51	-1.0	-48.49	411.31	7.71	-40.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020263105	0	48	-1.0	-51.71	389.75	6.91	-44.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020263105	1	48	-1.0	-51.74	389.81	6.93	-44.81
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(=C)C	REAL300020263106	0	44	-1.0	-41.28	365.57	8.53	-32.75
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(=C)C	REAL300020263106	1	44	-1.0	-41.24	365.62	8.52	-32.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020263107	0	48	-1.0	-41.29	396.91	8.50	-32.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020263107	1	48	-1.0	-41.28	396.96	8.52	-32.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020263108	0	45	-1.0	-47.54	360.59	7.57	-39.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020263108	1	45	-1.0	-47.57	360.54	7.55	-40.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020263109	0	44	-1.0	-39.37	367.63	6.07	-33.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020263109	1	44	-1.0	-39.42	367.68	6.09	-33.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020263110	0	41	-1.0	-44.05	346.03	5.29	-38.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020263110	1	41	-1.0	-44.02	346.09	5.32	-38.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020263111	0	55	-1.0	-43.55	428.57	9.03	-34.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020263111	1	55	-1.0	-43.58	428.63	9.05	-34.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020263112	0	44	-1.0	-41.81	373.52	6.55	-35.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020263112	1	44	-1.0	-41.81	373.58	6.57	-35.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020263113	0	41	-1.0	-42.38	357.07	5.59	-36.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020263113	1	41	-1.0	-42.38	357.13	5.61	-36.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020263114	0	47	-1.0	-39.91	390.00	7.14	-32.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020263114	1	47	-1.0	-39.92	390.06	7.16	-32.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020263115	0	44	-1.0	-41.05	373.01	6.75	-34.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020263115	1	44	-1.0	-41.08	373.06	6.77	-34.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020263116	0	52	-1.0	-43.96	405.46	8.52	-35.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020263116	1	52	-1.0	-44.00	405.52	8.53	-35.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020263117	0	49	-1.0	-45.23	382.05	7.74	-37.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020263117	1	49	-1.0	-45.22	381.99	7.72	-37.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(CC)CC)CC1	REAL300020263118	0	56	-1.0	-43.53	438.23	8.06	-35.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(CC)CC)CC1	REAL300020263118	1	56	-1.0	-43.54	438.29	8.08	-35.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(CC)CC)CC1	REAL300020263119	0	53	-1.0	-46.86	419.37	7.39	-39.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(CC)CC)CC1	REAL300020263119	1	53	-1.0	-46.89	419.43	7.42	-39.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020263120	0	42	-1.0	-40.52	341.24	5.06	-35.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020263120	1	42	-1.0	-40.55	341.30	5.07	-35.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020263121	0	39	-1.0	-42.96	314.73	4.42	-38.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020263121	1	39	-1.0	-42.94	314.68	4.40	-38.54
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020263122	0	46	-1.0	-42.48	367.53	6.98	-35.50
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020263122	1	46	-1.0	-42.44	367.56	6.98	-35.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CCCCC	REAL300020263123	0	55	-1.0	-39.98	425.68	9.22	-30.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CCCCC	REAL300020263123	1	55	-1.0	-39.94	425.74	9.24	-30.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CCCCC	REAL300020263124	0	52	-1.0	-44.81	405.49	8.56	-36.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CCCCC	REAL300020263124	1	52	-1.0	-44.79	405.54	8.59	-36.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020263125	0	53	-1.0	-39.84	405.98	8.79	-31.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020263125	1	53	-1.0	-39.93	406.04	8.81	-31.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020263126	0	50	-1.0	-47.56	388.97	8.38	-39.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020263126	1	50	-1.0	-47.54	388.91	8.35	-39.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020263127	0	51	-1.0	-40.15	419.55	8.11	-32.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020263127	1	51	-1.0	-40.18	419.61	8.13	-32.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020263128	0	48	-1.0	-44.01	387.73	7.27	-36.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020263128	1	48	-1.0	-43.99	387.68	7.25	-36.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020263129	0	55	-1.0	-39.05	437.11	9.71	-29.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020263129	1	55	-1.0	-39.06	437.17	9.73	-29.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020263130	0	52	-1.0	-41.65	421.11	8.89	-32.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020263130	1	52	-1.0	-41.64	421.16	8.92	-32.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(OCC)N=N2)CC1	REAL300020263131	0	51	-1.0	-46.46	422.88	4.23	-42.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(OCC)N=N2)CC1	REAL300020263131	1	51	-1.0	-46.44	422.82	4.20	-42.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020263132	0	52	-1.0	-44.33	419.01	7.67	-36.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020263132	1	52	-1.0	-44.36	419.07	7.68	-36.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020263133	0	49	-1.0	-48.11	400.33	6.98	-41.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020263133	1	49	-1.0	-48.12	400.38	7.00	-41.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020263134	0	41	-1.0	-38.43	336.51	7.46	-30.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020263134	1	41	-1.0	-38.40	336.57	7.47	-30.93
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020263135	0	45	-1.0	-41.27	366.90	9.58	-31.69
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020263135	1	45	-1.0	-41.26	366.93	9.58	-31.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(CC)=NO2)CC1	REAL300020263136	0	54	-1.0	-44.26	440.26	7.35	-36.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(CC)=NO2)CC1	REAL300020263136	1	54	-1.0	-44.26	440.32	7.37	-36.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(CC)=NO2)CC1	REAL300020263137	0	51	-1.0	-47.08	416.53	6.68	-40.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(CC)=NO2)CC1	REAL300020263137	1	51	-1.0	-47.07	416.58	6.71	-40.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020263138	0	53	-1.0	-44.49	425.97	8.42	-36.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020263138	1	53	-1.0	-44.47	426.03	8.43	-36.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020263139	0	50	-1.0	-47.01	402.24	7.74	-39.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020263139	1	50	-1.0	-47.01	402.29	7.77	-39.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Br)=C2C1	REAL300020263140	0	38	-1.0	-41.89	333.43	5.59	-36.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Br)=C2C1	REAL300020263140	1	38	-1.0	-41.90	333.49	5.62	-36.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020263141	0	49	-1.0	-42.88	394.96	6.88	-36.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020263141	1	49	-1.0	-42.86	394.90	6.87	-35.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020263142	0	46	-1.0	-44.40	377.72	6.35	-38.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020263142	1	46	-1.0	-44.41	377.67	6.32	-38.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020263143	0	41	-1.0	-42.63	366.04	5.20	-37.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020263143	1	41	-1.0	-42.63	366.10	5.21	-37.42
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C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020263196	0	48	-1.0	-48.76	388.47	4.81	-43.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020263196	1	48	-1.0	-48.72	388.52	4.82	-43.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020263197	0	45	-1.0	-51.77	363.51	4.91	-46.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020263197	1	45	-1.0	-51.80	363.45	4.88	-46.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	REAL300020263198	0	46	-2.0	-93.84	398.45	4.34	-89.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1	REAL300020263198	1	47	-1.0	-42.57	398.61	5.87	-36.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1	REAL300020263198	1	47	-1.0	-42.56	398.56	5.85	-36.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	REAL300020263198	1	46	-2.0	-93.83	398.50	4.36	-89.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020263199	0	52	-1.0	-42.49	393.24	7.20	-35.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020263199	1	52	-1.0	-42.46	393.30	7.21	-35.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020263200	0	49	-1.0	-41.63	372.13	6.22	-35.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020263200	1	49	-1.0	-41.61	372.19	6.25	-35.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020263201	0	46	-1.0	-38.56	378.41	8.09	-30.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020263201	1	46	-1.0	-38.58	378.47	8.11	-30.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020263202	0	43	-1.0	-41.57	357.02	7.35	-34.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020263202	1	43	-1.0	-41.53	356.96	7.33	-34.20
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1(C)C	REAL300020263203	0	50	-1.0	-42.03	399.64	10.15	-31.88
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1(C)C	REAL300020263203	1	50	-1.0	-41.97	399.72	10.14	-31.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020263204	0	48	-1.0	-39.47	373.47	5.13	-34.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020263204	1	48	-1.0	-39.47	373.53	5.14	-34.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020263205	0	45	-1.0	-41.36	349.68	4.48	-36.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020263205	1	45	-1.0	-41.38	349.63	4.47	-36.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020263206	0	52	-1.0	-42.48	377.46	5.42	-37.06
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020263206	1	52	-1.0	-42.45	377.49	5.41	-37.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOC1=CC=CC=C1OC	REAL300020263207	0	54	-1.0	-43.16	438.64	8.78	-34.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOC1=CC=CC=C1OC	REAL300020263207	1	54	-1.0	-43.20	438.70	8.80	-34.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOC1=CC=CC=C1OC	REAL300020263208	0	51	-1.0	-47.03	413.00	8.02	-39.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOC1=CC=CC=C1OC	REAL300020263208	1	51	-1.0	-47.05	413.05	8.04	-39.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020263209	0	46	-1.0	-45.11	385.20	2.48	-42.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020263209	1	46	-1.0	-45.12	385.26	2.49	-42.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020263210	0	43	-1.0	-46.42	361.61	1.80	-44.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020263210	1	43	-1.0	-46.38	361.56	1.79	-44.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020263211	0	56	0.0	-64.70	441.18	7.96	-56.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020263211	1	56	0.0	-64.64	441.23	7.98	-56.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020263212	0	53	0.0	-64.06	419.70	7.18	-56.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020263212	1	53	0.0	-64.02	419.76	7.19	-56.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020263213	0	44	-1.0	-39.94	336.69	8.34	-31.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020263213	1	44	-1.0	-39.97	336.75	8.35	-31.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020263214	0	41	-1.0	-41.79	324.08	7.89	-33.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020263214	1	41	-1.0	-41.82	324.03	7.86	-33.96
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020263215	0	48	-1.0	-42.23	364.73	10.32	-31.91
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020263215	1	48	-1.0	-42.17	364.76	10.31	-31.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020263216	0	53	-1.0	-48.34	427.13	6.46	-41.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020263216	1	53	-1.0	-48.32	427.19	6.47	-41.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020263217	0	50	-1.0	-53.48	402.14	5.92	-47.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020263217	1	50	-1.0	-53.51	402.20	5.94	-47.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020263218	0	53	-1.0	-48.00	428.19	6.69	-41.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020263218	1	53	-1.0	-47.96	428.25	6.70	-41.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020263219	0	50	-1.0	-53.66	405.51	5.87	-47.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020263219	1	50	-1.0	-53.63	405.57	5.90	-47.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020263220	0	42	-1.0	-45.60	347.32	4.08	-41.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020263220	1	42	-1.0	-45.56	347.38	4.09	-41.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020263221	0	39	-1.0	-47.58	322.09	3.39	-44.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020263221	1	39	-1.0	-47.58	322.04	3.36	-44.22
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020263222	0	46	-1.0	-43.83	385.53	7.09	-36.74
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020263222	1	46	-1.0	-43.75	385.57	7.08	-36.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300020263223	0	50	-1.0	-46.91	408.86	9.30	-37.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300020263223	1	50	-1.0	-46.87	408.91	9.33	-37.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020263224	0	44	-1.0	-39.97	359.80	7.57	-32.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020263224	1	44	-1.0	-39.98	359.86	7.59	-32.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020263225	0	41	-1.0	-44.27	338.37	6.80	-37.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020263225	1	41	-1.0	-44.30	338.31	6.78	-37.52
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020263226	0	48	-1.0	-43.70	387.17	10.52	-33.18
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020263226	1	48	-1.0	-43.69	387.19	10.52	-33.17
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020263227	0	49	-1.0	-40.39	389.52	8.10	-32.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020263227	1	49	-1.0	-40.38	389.58	8.12	-32.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020263228	0	46	-1.0	-44.06	371.71	7.44	-36.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020263228	1	46	-1.0	-44.08	371.77	7.46	-36.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020263229	0	52	-1.0	-43.62	406.55	6.54	-37.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020263229	1	52	-1.0	-43.63	406.61	6.55	-37.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020263230	0	49	-1.0	-46.51	379.07	5.88	-40.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020263230	1	49	-1.0	-46.46	379.12	5.91	-40.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020263231	0	52	-1.0	-40.92	409.63	9.35	-31.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020263231	1	52	-1.0	-40.95	409.69	9.37	-31.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020263232	0	49	-1.0	-44.63	387.01	8.60	-36.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020263232	1	49	-1.0	-44.66	386.95	8.58	-36.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020263233	0	47	-1.0	-41.25	385.38	6.35	-34.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020263233	1	47	-1.0	-41.32	385.44	6.37	-34.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020263234	0	44	-1.0	-44.19	366.87	5.68	-38.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020263234	1	44	-1.0	-44.20	366.82	5.65	-38.55
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020263235	0	51	-1.0	-43.53	411.17	8.57	-34.96
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020263235	1	51	-1.0	-43.54	411.20	8.56	-34.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020263236	0	53	-1.0	-40.24	425.19	8.14	-32.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020263236	1	53	-1.0	-40.22	425.25	8.15	-32.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020263237	0	50	-1.0	-40.23	389.31	7.32	-32.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020263237	1	50	-1.0	-40.23	389.36	7.34	-32.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020263238	0	50	-1.0	-52.53	402.62	5.28	-47.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020263238	1	50	-1.0	-52.62	402.68	5.30	-47.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020263239	0	47	-1.0	-53.84	381.41	4.29	-49.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020263239	1	47	-1.0	-53.82	381.35	4.27	-49.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020263240	0	48	-1.0	-51.66	402.27	2.86	-48.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020263240	1	48	-1.0	-51.59	402.32	2.88	-48.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020263241	0	45	-1.0	-53.20	374.81	2.04	-51.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020263241	1	45	-1.0	-53.14	374.89	2.06	-51.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020263242	0	51	-1.0	-44.96	417.96	2.36	-42.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020263242	1	51	-1.0	-45.04	418.02	2.38	-42.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020263243	0	48	-1.0	-48.81	393.48	1.90	-46.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020263243	1	48	-1.0	-48.80	393.53	1.91	-46.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020263244	0	43	-1.0	-39.82	364.70	7.57	-32.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020263244	1	43	-1.0	-39.86	364.76	7.58	-32.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020263245	0	40	-1.0	-44.25	334.20	7.06	-37.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020263245	1	40	-1.0	-44.25	334.25	7.07	-37.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020263246	0	43	-1.0	-42.82	354.61	7.34	-35.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020263246	1	43	-1.0	-42.81	354.67	7.36	-35.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020263247	0	40	-1.0	-44.02	333.08	6.58	-37.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020263247	1	40	-1.0	-43.96	333.02	6.55	-37.41
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)CC1	REAL300020263248	0	47	-1.0	-44.19	383.27	9.35	-34.84
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)CC1	REAL300020263248	1	47	-1.0	-44.24	383.32	9.34	-34.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020263249	0	49	-1.0	-39.58	378.77	9.66	-29.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020263249	1	49	-1.0	-39.62	378.83	9.67	-29.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020263250	0	46	-1.0	-41.70	366.30	8.23	-33.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020263250	1	46	-1.0	-41.75	366.25	8.22	-33.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020263251	0	49	-1.0	-40.30	395.50	9.08	-31.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020263251	1	49	-1.0	-40.37	395.56	9.10	-31.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020263252	0	46	-1.0	-41.34	373.49	8.30	-33.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020263252	1	46	-1.0	-41.35	373.43	8.28	-33.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020263253	0	47	-1.0	-40.49	368.40	8.81	-31.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020263253	1	47	-1.0	-40.52	368.46	8.82	-31.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020263254	0	44	-1.0	-42.52	334.96	7.38	-35.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020263254	1	44	-1.0	-42.52	334.91	7.37	-35.15
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020263255	0	51	-1.0	-42.33	386.91	9.84	-32.49
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020263255	1	51	-1.0	-42.31	386.94	9.83	-32.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC=CC)C1	REAL300020263256	0	50	-1.0	-40.22	402.37	9.58	-30.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC=CC)C1	REAL300020263256	1	50	-1.0	-40.22	402.43	9.60	-30.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC=CC)C1	REAL300020263257	0	47	-1.0	-42.07	381.60	8.60	-33.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC=CC)C1	REAL300020263257	1	47	-1.0	-42.09	381.54	8.57	-33.52
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC=CC)C1	REAL300020263258	0	54	-1.0	-40.40	429.34	11.26	-29.14
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC=CC)C1	REAL300020263258	1	54	-1.0	-40.42	429.34	11.25	-29.17
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020263259	0	51	-1.0	-43.76	414.67	8.76	-35.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020263259	1	51	-1.0	-43.78	414.73	8.78	-35.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020263260	0	48	-1.0	-47.41	390.91	7.94	-39.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020263260	1	48	-1.0	-47.39	390.96	7.96	-39.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CS(=O)(=O)NC)C1	REAL300020263261	0	51	-1.0	-49.71	406.43	3.10	-46.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CS(=O)(=O)NC)C1	REAL300020263261	1	51	-1.0	-49.70	406.48	3.12	-46.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CS(=O)(=O)NC)C1	REAL300020263262	0	48	-1.0	-48.13	399.58	2.98	-45.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CS(=O)(=O)NC)C1	REAL300020263262	1	48	-1.0	-48.11	399.63	3.01	-45.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(COC)C1	REAL300020263263	0	48	-1.0	-40.15	389.08	5.21	-34.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(COC)C1	REAL300020263263	1	48	-1.0	-40.13	389.14	5.22	-34.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(COC)C1	REAL300020263264	0	45	-1.0	-42.86	367.85	4.46	-38.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(COC)C1	REAL300020263264	1	45	-1.0	-42.90	367.79	4.43	-38.47
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(COC)C1	REAL300020263265	0	52	-1.0	-42.74	418.01	7.18	-35.56
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(COC)C1	REAL300020263265	1	52	-1.0	-42.74	418.05	7.17	-35.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020263266	0	48	-1.0	-46.77	394.06	9.90	-36.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020263266	1	48	-1.0	-46.76	394.11	9.91	-36.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020263267	0	45	-1.0	-51.95	371.45	8.32	-43.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020263267	1	45	-1.0	-51.93	371.41	8.30	-43.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020263268	0	45	-1.0	-47.41	362.54	2.27	-45.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020263268	1	45	-1.0	-47.44	362.60	2.28	-45.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020263269	0	42	-1.0	-46.05	356.10	1.96	-44.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020263269	1	42	-1.0	-46.05	356.04	1.93	-44.12
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020263270	0	49	-1.0	-49.10	388.55	4.13	-44.97
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020263270	1	49	-1.0	-49.01	388.59	4.12	-44.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(CC)C=C2)CC1	REAL300020263271	0	56	-1.0	-40.67	448.03	11.78	-28.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(CC)C=C2)CC1	REAL300020263271	1	56	-1.0	-40.64	448.09	11.79	-28.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(CC)C=C2)CC1	REAL300020263272	0	53	-1.0	-40.94	423.55	10.89	-30.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(CC)C=C2)CC1	REAL300020263272	1	53	-1.0	-40.94	423.60	10.91	-30.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCOCC2)CC1	REAL300020263273	0	57	0.0	-65.47	407.24	6.65	-58.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCOCC2)CC1	REAL300020263273	1	57	0.0	-65.50	407.30	6.67	-58.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020263274	0	47	-1.0	-45.65	370.60	11.37	-34.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020263274	1	47	-1.0	-45.68	370.54	11.36	-34.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020263275	0	44	-1.0	-47.11	355.62	10.80	-36.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020263275	1	44	-1.0	-47.12	355.55	10.77	-36.35
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020263276	0	51	-1.0	-45.24	402.64	13.46	-31.78
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020263276	1	51	-1.0	-45.20	402.68	13.45	-31.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020263277	0	51	-1.0	-41.23	390.92	8.92	-32.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020263277	1	51	-1.0	-41.22	390.92	8.94	-32.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020263278	0	48	-1.0	-43.23	373.98	8.32	-34.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020263278	1	48	-1.0	-43.29	374.03	8.34	-34.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020263279	0	55	0.0	-70.25	386.46	7.88	-62.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020263279	1	55	0.0	-70.21	386.52	7.89	-62.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020263280	0	52	0.0	-66.12	374.14	7.35	-58.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020263280	1	52	0.0	-66.11	374.20	7.38	-58.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020263281	0	43	-1.0	-41.69	359.35	6.70	-34.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020263281	1	43	-1.0	-41.66	359.41	6.71	-34.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020263282	0	40	-1.0	-42.26	336.30	5.77	-36.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020263282	1	40	-1.0	-42.26	336.24	5.74	-36.52
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)CC1C	REAL300020263283	0	47	-1.0	-42.34	370.93	8.00	-34.34
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)CC1C	REAL300020263283	1	47	-1.0	-42.32	370.96	8.00	-34.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300020263284	0	44	-1.0	-44.93	373.59	8.04	-36.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300020263284	1	44	-1.0	-44.93	373.64	8.07	-36.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300020263285	0	44	-1.0	-47.91	359.09	7.48	-40.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300020263285	1	44	-1.0	-47.92	359.03	7.46	-40.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2C)CC1	REAL300020263286	0	48	-1.0	-42.75	401.20	9.69	-33.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2C)CC1	REAL300020263286	1	48	-1.0	-42.73	401.26	9.71	-33.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020263287	0	45	-1.0	-43.14	364.15	6.09	-37.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020263287	1	45	-1.0	-43.13	364.21	6.11	-37.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020263288	0	42	-1.0	-45.99	342.71	5.32	-40.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020263288	1	42	-1.0	-45.96	342.65	5.30	-40.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020263289	0	56	0.0	-65.25	414.04	8.83	-56.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020263289	1	56	0.0	-65.30	414.10	8.85	-56.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020263290	0	53	0.0	-65.44	384.15	8.18	-57.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020263290	1	53	0.0	-65.42	384.21	8.21	-57.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020263291	0	44	-1.0	-44.64	369.15	4.00	-40.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020263291	1	44	-1.0	-44.66	369.20	4.01	-40.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020263292	0	41	-1.0	-46.55	347.68	3.21	-43.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020263292	1	41	-1.0	-46.53	347.74	3.23	-43.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300020263293	0	44	-1.0	-45.97	365.20	8.88	-37.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300020263293	1	44	-1.0	-45.98	365.25	8.91	-37.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020263294	0	49	-1.0	-42.05	409.82	8.20	-33.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020263294	1	49	-1.0	-42.11	409.88	8.22	-33.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020263295	0	46	-1.0	-44.06	386.02	7.54	-36.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020263295	1	46	-1.0	-44.05	386.07	7.55	-36.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020263296	0	59	0.0	-65.12	423.53	9.16	-55.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020263296	1	59	0.0	-65.11	423.58	9.17	-55.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020263297	0	56	0.0	-62.66	402.06	8.35	-54.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020263297	1	56	0.0	-62.69	402.11	8.38	-54.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300020263298	0	52	-1.0	-50.49	408.64	6.28	-44.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300020263298	1	52	-1.0	-50.47	408.70	6.30	-44.17
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(OCC)CC1	REAL300020263299	0	46	-1.0	-39.60	380.94	5.46	-34.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(OCC)CC1	REAL300020263299	1	46	-1.0	-39.58	380.99	5.47	-34.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(OCC)CC1	REAL300020263300	0	43	-1.0	-40.83	359.49	4.70	-36.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(OCC)CC1	REAL300020263300	1	43	-1.0	-40.80	359.43	4.67	-36.13
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(OCC)CC1	REAL300020263301	0	50	-1.0	-41.15	409.63	7.45	-33.70
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(OCC)CC1	REAL300020263301	1	50	-1.0	-41.09	409.67	7.44	-33.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020263302	0	46	-1.0	-40.13	372.47	8.29	-31.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020263302	1	46	-1.0	-40.12	372.52	8.31	-31.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020263303	0	43	-1.0	-41.68	349.38	7.45	-34.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020263303	1	43	-1.0	-41.68	349.34	7.42	-34.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCF)CC1	REAL300020263304	0	50	-1.0	-42.92	402.33	10.28	-32.64
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCF)CC1	REAL300020263304	1	50	-1.0	-42.93	402.37	10.26	-32.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COCC)C1	REAL300020263305	0	48	-1.0	-40.87	381.72	4.76	-36.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COCC)C1	REAL300020263305	1	48	-1.0	-40.89	381.78	4.77	-36.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COCC)C1	REAL300020263306	0	45	-1.0	-42.37	374.97	4.47	-37.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COCC)C1	REAL300020263306	1	45	-1.0	-42.42	375.02	4.50	-37.92
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(COCC)C1	REAL300020263307	0	52	-1.0	-43.01	407.48	6.68	-36.33
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(COCC)C1	REAL300020263307	1	52	-1.0	-43.01	407.52	6.67	-36.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C1=CC=CC=C1OC	REAL300020263308	0	54	-1.0	-45.58	408.08	8.54	-37.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C1=CC=CC=C1OC	REAL300020263308	1	54	-1.0	-45.63	408.03	8.52	-37.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020263309	0	59	0.0	-63.60	449.48	7.79	-55.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020263309	1	59	0.0	-63.66	449.53	7.80	-55.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020263310	0	56	0.0	-66.72	421.64	7.16	-59.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020263310	1	56	0.0	-66.74	421.69	7.17	-59.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020263311	0	44	-1.0	-43.28	362.39	8.32	-34.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020263311	1	44	-1.0	-43.24	362.45	8.33	-34.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020263312	0	41	-1.0	-43.44	344.10	7.23	-36.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020263312	1	41	-1.0	-43.43	344.16	7.25	-36.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300020263313	0	52	-1.0	-46.53	412.30	9.46	-37.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300020263313	1	52	-1.0	-46.50	412.36	9.49	-37.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020263314	0	57	0.0	-65.86	418.89	7.07	-58.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020263314	1	56	-1.0	-40.26	418.66	4.96	-35.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020263314	1	56	-1.0	-40.29	418.71	4.97	-35.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020263315	0	54	0.0	-65.06	398.98	6.31	-58.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020263315	1	54	0.0	-65.02	399.04	6.33	-58.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020263315	1	53	-1.0	-41.78	393.12	4.48	-37.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020263315	1	53	-1.0	-41.81	393.17	4.51	-37.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CNC(C)=O)CC1	REAL300020263316	0	51	-1.0	-50.98	411.06	4.67	-46.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CNC(C)=O)CC1	REAL300020263316	1	51	-1.0	-51.00	411.11	4.70	-46.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(SC)CC1	REAL300020263317	0	44	-1.0	-38.91	368.38	7.93	-30.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(SC)CC1	REAL300020263317	1	44	-1.0	-38.95	368.44	7.95	-31.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(SC)CC1	REAL300020263318	0	41	-1.0	-41.25	344.60	7.28	-33.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(SC)CC1	REAL300020263318	1	41	-1.0	-41.27	344.56	7.26	-34.01
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(SC)CC1	REAL300020263319	0	48	-1.0	-41.75	397.44	9.92	-31.83
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(SC)CC1	REAL300020263319	1	48	-1.0	-41.70	397.47	9.91	-31.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020263320	0	53	-1.0	-40.07	413.24	9.91	-30.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020263320	1	53	-1.0	-40.11	413.30	9.93	-30.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020263321	0	50	-1.0	-42.94	389.61	9.45	-33.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020263321	1	50	-1.0	-42.94	389.55	9.44	-33.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020263322	0	55	-1.0	-40.42	424.21	10.06	-30.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020263322	1	55	-1.0	-40.38	424.27	10.08	-30.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020263323	0	52	-1.0	-41.49	385.72	10.78	-30.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020263323	1	52	-1.0	-41.48	385.78	10.81	-30.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020263324	0	44	-1.0	-44.41	359.41	3.48	-40.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020263324	1	44	-1.0	-44.43	359.45	3.49	-40.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020263325	0	41	-1.0	-47.16	346.12	2.71	-44.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020263325	1	41	-1.0	-47.20	346.06	2.69	-44.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020263326	0	48	-1.0	-45.11	388.83	5.35	-39.76
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020263326	1	48	-1.0	-45.11	388.84	5.34	-39.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020263327	0	47	-1.0	-51.59	378.12	5.93	-45.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020263327	1	47	-1.0	-51.57	378.18	5.95	-45.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020263328	0	44	-1.0	-54.23	347.76	4.69	-49.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020263328	1	44	-1.0	-54.22	347.71	4.67	-49.55
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020263329	0	51	-1.0	-51.91	400.48	7.62	-44.29
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020263329	1	51	-1.0	-51.80	401.73	7.59	-44.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020263330	0	44	-1.0	-41.55	365.36	7.44	-34.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020263330	1	44	-1.0	-41.60	365.42	7.46	-34.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020263331	0	41	-1.0	-48.26	333.86	6.77	-41.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020263331	1	41	-1.0	-48.26	333.80	6.75	-41.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC1C#N	REAL300020263332	0	48	-1.0	-44.54	390.88	9.71	-34.83
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC1C#N	REAL300020263332	1	48	-1.0	-44.50	390.92	9.70	-34.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300020263333	0	44	-1.0	-45.46	373.58	8.05	-37.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300020263333	1	44	-1.0	-45.43	373.64	8.08	-37.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020263334	0	51	-1.0	-48.93	409.26	6.18	-42.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020263334	1	51	-1.0	-48.92	409.32	6.20	-42.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020263335	0	48	-1.0	-55.14	388.82	4.59	-50.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020263335	1	48	-1.0	-55.13	388.77	4.57	-50.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020263336	0	51	-1.0	-43.13	419.10	7.83	-35.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020263336	1	51	-1.0	-43.15	419.16	7.84	-35.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020263337	0	48	-1.0	-51.99	380.38	5.78	-46.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020263337	1	48	-1.0	-51.96	380.32	5.75	-46.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020263338	0	51	-1.0	-44.27	386.68	6.18	-38.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020263338	1	51	-1.0	-44.30	386.74	6.20	-38.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020263339	0	48	-1.0	-46.25	351.16	5.40	-40.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020263339	1	48	-1.0	-46.24	351.11	5.38	-40.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020263340	0	47	-1.0	-39.80	394.16	7.68	-32.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020263340	1	47	-1.0	-39.84	394.21	7.69	-32.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020263341	0	44	-1.0	-42.61	372.60	6.92	-35.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020263341	1	44	-1.0	-42.61	372.54	6.90	-35.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020263342	0	42	-1.0	-40.33	339.19	6.06	-34.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020263342	1	42	-1.0	-40.34	339.25	6.07	-34.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020263343	0	39	-1.0	-42.33	315.44	5.41	-36.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020263343	1	39	-1.0	-42.33	315.39	5.40	-36.93
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020263344	0	46	-1.0	-42.75	360.30	7.90	-34.85
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020263344	1	46	-1.0	-42.66	360.34	7.88	-34.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020263345	0	49	-1.0	-42.18	411.70	5.87	-36.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020263345	1	49	-1.0	-42.15	411.76	5.89	-36.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020263346	0	46	-1.0	-46.59	378.07	5.02	-41.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020263346	1	46	-1.0	-46.55	378.01	5.00	-41.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020263347	0	49	-1.0	-42.67	391.68	7.48	-35.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020263347	1	49	-1.0	-42.70	391.74	7.49	-35.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020263348	0	46	-1.0	-45.45	371.77	6.79	-38.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020263348	1	46	-1.0	-45.45	371.71	6.77	-38.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020263349	0	53	0.0	-81.18	419.24	9.79	-71.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020263349	1	53	0.0	-81.11	419.18	9.77	-71.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020263350	0	50	0.0	-79.08	401.61	9.15	-69.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020263350	1	50	0.0	-79.07	401.56	9.12	-69.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020263351	0	47	-1.0	-42.12	384.10	7.10	-35.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020263351	1	47	-1.0	-42.14	384.16	7.11	-35.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020263352	0	44	-1.0	-42.93	363.81	6.25	-36.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020263352	1	44	-1.0	-42.95	363.87	6.27	-36.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020263353	0	44	-1.0	-40.79	368.32	6.01	-34.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020263353	1	44	-1.0	-40.79	368.37	6.03	-34.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020263354	0	41	-1.0	-42.96	346.90	5.25	-37.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020263354	1	41	-1.0	-42.96	346.84	5.23	-37.73
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCF)C1	REAL300020263355	0	48	-1.0	-42.96	390.35	8.03	-34.93
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCF)C1	REAL300020263355	1	48	-1.0	-42.91	390.46	8.02	-34.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020263356	0	51	-1.0	-40.81	409.46	10.43	-30.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020263356	1	51	-1.0	-40.79	409.51	10.44	-30.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020263357	0	48	-1.0	-45.29	383.73	9.88	-35.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020263357	1	48	-1.0	-45.26	383.67	9.85	-35.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)CCC1C	REAL300020263358	0	47	-1.0	-40.79	379.45	5.63	-35.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)CCC1C	REAL300020263358	1	47	-1.0	-40.82	379.50	5.65	-35.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)CCC1C	REAL300020263359	0	44	-1.0	-44.40	354.82	4.88	-39.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)CCC1C	REAL300020263359	1	44	-1.0	-44.37	354.77	4.87	-39.50
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)CCC1C	REAL300020263360	0	51	-1.0	-41.43	400.85	7.27	-34.16
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)CCC1C	REAL300020263360	1	51	-1.0	-41.45	400.89	7.25	-34.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020263361	0	53	-1.0	-49.96	423.16	7.06	-42.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020263361	1	53	-1.0	-49.98	423.21	7.08	-42.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020263362	0	50	-1.0	-43.23	410.50	7.22	-36.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020263362	1	50	-1.0	-43.24	410.56	7.25	-35.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(OC)C=C1	REAL300020263363	0	53	-1.0	-42.54	425.56	8.12	-34.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(OC)C=C1	REAL300020263363	1	53	-1.0	-42.53	425.62	8.13	-34.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(OC)C=C1	REAL300020263364	0	50	-1.0	-46.03	402.30	7.40	-38.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(OC)C=C1	REAL300020263364	1	50	-1.0	-46.07	402.24	7.37	-38.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020263365	0	49	-1.0	-40.34	408.90	8.42	-31.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020263365	1	49	-1.0	-40.36	408.96	8.44	-31.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020263366	0	46	-1.0	-42.21	383.19	7.90	-34.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020263366	1	46	-1.0	-42.25	383.15	7.88	-34.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300020263367	0	50	-1.0	-45.06	411.29	7.03	-38.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300020263367	1	50	-1.0	-45.08	411.35	7.06	-38.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(OC)=C2)CC1	REAL300020263368	0	54	-1.0	-44.70	431.46	9.51	-35.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(OC)=C2)CC1	REAL300020263368	1	54	-1.0	-44.68	431.51	9.54	-35.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020263369	0	43	-1.0	-45.15	366.49	3.60	-41.55
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020263369	1	43	-1.0	-45.17	366.54	3.61	-41.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020263370	0	40	-1.0	-46.99	347.14	2.66	-44.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020263370	1	40	-1.0	-46.97	347.08	2.64	-44.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020263371	0	47	-1.0	-41.77	388.43	5.69	-36.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020263371	1	47	-1.0	-41.78	388.48	5.71	-36.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020263372	0	44	-1.0	-44.87	351.61	4.44	-40.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020263372	1	44	-1.0	-44.80	351.56	4.41	-40.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020263373	0	45	-1.0	-44.63	363.34	6.94	-37.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020263373	1	45	-1.0	-44.60	363.40	6.95	-37.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020263374	0	42	-1.0	-45.31	355.67	6.54	-38.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020263374	1	42	-1.0	-45.34	355.61	6.52	-38.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020263375	0	37	-1.0	-48.55	318.72	6.72	-41.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020263375	1	37	-1.0	-48.53	318.66	6.70	-41.83
C=CCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020263376	0	41	-1.0	-48.65	348.90	8.71	-39.94
C=CCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020263376	1	41	-1.0	-48.67	348.87	8.73	-39.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020263377	0	48	-1.0	-41.82	395.51	8.31	-33.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020263377	1	48	-1.0	-41.83	395.56	8.33	-33.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020263378	0	45	-1.0	-43.88	381.93	7.81	-36.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020263378	1	45	-1.0	-43.89	381.99	7.83	-36.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020263379	0	43	-1.0	-40.48	364.53	7.77	-32.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020263379	1	43	-1.0	-40.47	364.58	7.78	-32.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020263380	0	40	-1.0	-40.90	340.27	7.09	-33.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020263380	1	40	-1.0	-40.95	340.31	7.11	-33.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2OC)C1	REAL300020263381	0	52	-1.0	-42.63	412.83	7.04	-35.59
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2OC)C1	REAL300020263381	1	52	-1.0	-42.63	412.89	7.05	-35.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2OC)C1	REAL300020263382	0	49	-1.0	-44.70	405.39	6.96	-37.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2OC)C1	REAL300020263382	1	49	-1.0	-44.69	405.44	6.98	-37.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020263383	0	45	-1.0	-42.62	347.63	7.74	-34.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020263383	1	45	-1.0	-42.61	347.69	7.75	-34.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020263384	0	42	-1.0	-42.64	327.76	7.98	-34.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020263384	1	42	-1.0	-42.66	327.71	7.96	-34.70
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020263385	0	49	-1.0	-43.63	380.40	9.84	-33.79
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020263385	1	49	-1.0	-43.62	380.46	9.82	-33.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020263386	0	55	-1.0	-41.01	438.20	7.32	-33.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020263386	1	55	-1.0	-41.00	438.26	7.33	-33.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020263387	0	52	-1.0	-43.40	414.41	6.65	-36.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020263387	1	52	-1.0	-43.42	414.46	6.67	-36.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020263388	0	50	-1.0	-42.82	415.74	10.62	-32.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020263388	1	50	-1.0	-42.84	415.79	10.64	-32.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(OC)C=C2)C1	REAL300020263389	0	52	-1.0	-43.35	426.50	7.36	-35.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(OC)C=C2)C1	REAL300020263389	1	52	-1.0	-43.35	426.55	7.37	-35.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(OC)C=C2)C1	REAL300020263390	0	49	-1.0	-43.94	407.14	6.84	-37.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(OC)C=C2)C1	REAL300020263390	1	49	-1.0	-43.92	407.20	6.86	-37.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020263391	0	44	-1.0	-45.68	365.56	4.92	-40.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020263391	1	44	-1.0	-45.69	365.61	4.93	-40.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020263392	0	41	-1.0	-51.08	337.51	4.17	-46.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020263392	1	41	-1.0	-51.10	337.46	4.16	-46.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300020263393	0	38	-1.0	-41.28	337.11	7.03	-34.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300020263393	1	38	-1.0	-41.28	337.16	7.04	-34.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C3CCC3)=NO2)CC1	REAL300020263394	0	52	-1.0	-43.31	423.15	7.30	-36.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C3CCC3)=NO2)CC1	REAL300020263394	1	52	-1.0	-43.38	423.20	7.32	-36.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020263395	0	50	-1.0	-41.59	411.54	10.41	-31.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020263395	1	50	-1.0	-41.63	411.59	10.42	-31.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020263396	0	47	-1.0	-42.11	386.32	9.72	-32.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020263396	1	47	-1.0	-42.12	386.37	9.74	-32.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020263397	0	49	-1.0	-51.02	384.50	4.69	-46.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020263397	1	49	-1.0	-51.04	384.56	4.71	-46.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020263398	0	46	-1.0	-54.74	360.93	3.83	-50.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020263398	1	46	-1.0	-54.75	360.98	3.85	-50.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020263399	0	50	-1.0	-42.82	415.74	10.62	-32.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020263399	1	50	-1.0	-42.84	415.79	10.64	-32.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020263400	0	45	-1.0	-39.50	371.20	8.35	-31.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020263400	1	45	-1.0	-39.49	371.26	8.36	-31.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020263401	0	42	-1.0	-41.48	351.33	7.61	-33.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020263401	1	42	-1.0	-41.47	351.27	7.59	-33.88
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CSCC2C1	REAL300020263402	0	49	-1.0	-44.55	386.21	9.62	-34.93
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CSCC2C1	REAL300020263402	1	49	-1.0	-44.50	386.23	9.61	-34.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(Cl)C=C2)CC1	REAL300020263403	0	50	-1.0	-43.13	418.68	10.73	-32.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(Cl)C=C2)CC1	REAL300020263403	1	50	-1.0	-43.11	418.73	10.76	-32.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020263404	0	46	-1.0	-39.88	396.39	8.98	-30.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020263404	1	46	-1.0	-39.92	396.45	8.99	-30.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020263405	0	43	-1.0	-42.05	365.41	8.85	-33.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020263405	1	43	-1.0	-42.07	365.37	8.83	-33.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020263406	0	50	-1.0	-42.79	398.43	8.29	-34.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020263406	1	50	-1.0	-42.78	398.49	8.30	-34.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020263407	0	47	-1.0	-48.28	373.32	7.52	-40.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020263407	1	47	-1.0	-48.29	373.25	7.51	-40.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020263408	0	50	0.0	-65.74	385.02	7.82	-57.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020263408	1	50	0.0	-72.73	372.16	7.41	-65.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020263408	1	50	0.0	-65.74	385.08	7.83	-57.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020263408	1	50	0.0	-72.75	372.21	7.43	-65.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020263409	0	47	0.0	-65.46	365.22	7.10	-58.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020263409	1	47	0.0	-72.24	350.86	6.68	-65.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020263409	1	47	0.0	-65.43	365.16	7.07	-58.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020263409	1	47	0.0	-72.25	350.80	6.65	-65.60
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020263410	0	54	0.0	-72.44	414.44	10.22	-62.22
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020263410	1	54	0.0	-77.20	399.48	9.33	-67.87
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020263410	1	54	0.0	-72.45	414.47	10.21	-62.24
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020263410	1	54	0.0	-77.22	399.51	9.32	-67.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C2=CN(C)C=N2)C1	REAL300020263411	0	47	-1.0	-49.23	390.10	8.88	-40.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C2=CN(C)C=N2)C1	REAL300020263411	1	47	-1.0	-49.22	390.04	8.85	-40.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020263412	0	50	-1.0	-43.79	418.05	8.01	-35.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020263412	1	50	-1.0	-43.80	418.10	8.03	-35.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020263413	0	47	-1.0	-44.40	396.53	7.23	-37.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020263413	1	47	-1.0	-44.40	396.59	7.25	-37.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020263414	0	49	-1.0	-40.31	401.46	7.86	-32.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020263414	1	49	-1.0	-40.32	401.51	7.87	-32.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020263415	0	46	-1.0	-42.63	381.55	7.10	-35.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020263415	1	46	-1.0	-42.63	381.61	7.12	-35.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2C#N)CC1	REAL300020263416	0	47	-1.0	-47.24	400.06	7.89	-39.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2C#N)CC1	REAL300020263416	1	47	-1.0	-47.26	400.12	7.92	-39.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020263417	0	53	-1.0	-42.49	413.28	9.52	-32.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020263417	1	53	-1.0	-42.49	413.34	9.54	-32.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020263418	0	50	-1.0	-42.15	392.58	9.37	-32.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020263418	1	50	-1.0	-42.14	392.53	9.35	-32.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020263419	0	58	0.0	-65.44	438.89	6.97	-58.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020263419	1	58	0.0	-65.42	438.94	6.98	-58.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020263420	0	55	0.0	-65.30	414.40	6.50	-58.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020263420	1	55	0.0	-65.28	414.45	6.52	-58.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020263421	0	46	-1.0	-43.33	392.43	7.21	-36.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020263421	1	46	-1.0	-43.31	392.48	7.24	-36.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020263422	0	46	-1.0	-43.48	382.42	5.39	-38.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020263422	1	46	-1.0	-43.44	382.48	5.41	-38.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020263423	0	43	-1.0	-46.12	362.51	4.67	-41.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020263423	1	43	-1.0	-46.09	362.46	4.64	-41.45
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CCC#N)CC1	REAL300020263424	0	50	-1.0	-46.52	412.66	7.42	-39.10
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CCC#N)CC1	REAL300020263424	1	50	-1.0	-46.43	412.69	7.41	-39.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020263425	0	48	-1.0	-48.56	397.95	7.34	-41.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020263425	1	48	-1.0	-48.61	398.00	7.35	-41.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020263426	0	45	-1.0	-44.31	372.39	7.47	-36.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020263426	1	45	-1.0	-44.29	372.33	7.44	-36.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020263427	0	52	0.0	-64.86	394.61	8.34	-56.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020263427	1	52	0.0	-63.58	391.16	7.92	-55.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020263427	1	52	0.0	-64.86	394.55	8.32	-56.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020263427	1	52	0.0	-63.60	391.11	7.91	-55.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020263428	0	49	0.0	-66.72	373.09	7.64	-59.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020263428	1	49	0.0	-61.19	371.71	7.17	-54.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020263428	1	49	0.0	-66.77	373.05	7.62	-59.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020263428	1	49	0.0	-61.19	371.66	7.15	-54.04
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020263429	0	56	0.0	-70.91	424.57	10.33	-60.58
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020263429	1	56	0.0	-71.58	414.96	9.98	-61.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020263429	1	56	0.0	-70.88	424.61	10.32	-60.56
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020263429	1	56	0.0	-71.55	414.99	9.96	-61.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020263430	0	55	-1.0	-44.14	436.27	9.52	-34.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020263430	1	55	-1.0	-44.13	436.32	9.53	-34.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020263431	0	52	-1.0	-45.79	416.36	8.76	-37.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020263431	1	52	-1.0	-45.76	416.42	8.79	-36.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020263432	0	54	-1.0	-39.67	413.21	8.92	-30.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020263432	1	54	-1.0	-39.65	413.26	8.93	-30.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020263433	0	51	-1.0	-39.92	396.73	8.00	-31.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020263433	1	51	-1.0	-39.89	396.78	8.01	-31.88
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020263434	0	50	-1.0	-40.52	410.36	10.13	-30.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020263434	1	50	-1.0	-40.52	410.42	10.14	-30.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020263435	0	47	-1.0	-44.15	389.12	9.36	-34.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020263435	1	47	-1.0	-44.08	389.06	9.33	-34.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020263436	0	48	-1.0	-43.06	408.39	6.06	-37.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020263436	1	48	-1.0	-43.09	408.45	6.08	-37.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020263437	0	45	-1.0	-46.81	377.88	5.16	-41.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020263437	1	45	-1.0	-46.81	377.94	5.19	-41.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020263438	0	44	-1.0	-42.45	368.32	6.38	-36.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020263438	1	44	-1.0	-42.52	368.38	6.39	-36.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020263439	0	41	-1.0	-44.37	346.82	5.59	-38.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020263439	1	41	-1.0	-44.38	346.88	5.62	-38.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020263440	0	41	-1.0	-45.14	358.83	5.03	-40.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020263440	1	41	-1.0	-45.15	358.89	5.05	-40.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020263441	0	38	-1.0	-50.34	333.11	4.33	-46.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020263441	1	38	-1.0	-50.34	333.16	4.34	-46.00
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OCC(F)F)C1	REAL300020263442	0	45	-1.0	-49.44	387.68	7.00	-42.44
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OCC(F)F)C1	REAL300020263442	1	45	-1.0	-49.41	387.72	6.99	-42.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OCC)C1	REAL300020263443	0	50	-1.0	-44.27	410.23	7.38	-36.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OCC)C1	REAL300020263443	1	50	-1.0	-44.21	410.28	7.39	-36.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OCC)C1	REAL300020263444	0	47	-1.0	-48.75	389.34	6.61	-42.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OCC)C1	REAL300020263444	1	47	-1.0	-48.78	389.39	6.63	-42.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020263445	0	47	-1.0	-43.80	407.73	9.59	-34.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020263445	1	47	-1.0	-43.78	407.79	9.61	-34.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020263446	0	44	-1.0	-46.94	386.07	8.82	-38.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020263446	1	44	-1.0	-46.92	386.01	8.80	-38.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020263447	0	40	-1.0	-42.74	350.51	8.82	-33.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020263447	1	40	-1.0	-42.73	350.45	8.80	-33.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020263448	0	37	-1.0	-45.31	328.96	8.05	-37.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020263448	1	37	-1.0	-45.31	328.90	8.01	-37.30
C=CCN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020263449	0	44	-1.0	-44.54	378.37	10.69	-33.85
C=CCN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020263449	1	44	-1.0	-44.51	378.33	10.70	-33.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020263450	0	47	-1.0	-40.68	368.08	4.41	-36.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020263450	1	47	-1.0	-40.69	368.14	4.42	-36.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020263451	0	44	-1.0	-45.26	335.51	3.90	-41.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020263451	1	44	-1.0	-45.24	335.46	3.88	-41.36
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1C	REAL300020263452	0	51	-1.0	-42.75	387.10	6.41	-36.34
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1C	REAL300020263452	1	51	-1.0	-42.73	387.14	6.40	-36.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020263453	0	56	-1.0	-44.14	437.67	8.98	-35.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020263453	1	56	-1.0	-44.20	437.72	8.99	-35.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020263454	0	53	-1.0	-49.00	410.62	8.38	-40.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020263454	1	53	-1.0	-49.00	410.68	8.41	-40.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020263455	0	45	-1.0	-44.63	363.34	6.94	-37.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020263455	1	45	-1.0	-44.60	363.40	6.95	-37.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020263456	0	42	-1.0	-45.31	355.67	6.54	-38.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020263456	1	42	-1.0	-45.34	355.61	6.52	-38.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020263457	0	44	-1.0	-44.25	355.42	11.11	-33.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020263457	1	44	-1.0	-44.20	355.36	11.10	-33.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020263458	0	41	-1.0	-50.26	328.28	10.37	-39.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020263458	1	41	-1.0	-50.29	328.22	10.35	-39.94
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020263459	0	48	-1.0	-45.73	384.14	13.02	-32.71
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020263459	1	48	-1.0	-45.74	384.15	13.01	-32.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020263460	0	46	-2.0	-76.78	389.51	3.49	-73.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020263460	1	47	-1.0	-39.89	393.61	5.12	-34.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020263460	1	47	-1.0	-39.96	393.66	5.14	-34.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020263460	1	46	-2.0	-76.79	389.57	3.50	-73.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020263461	0	43	-2.0	-85.65	377.55	2.97	-82.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020263461	1	43	-2.0	-85.67	377.61	3.00	-82.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020263461	1	44	-1.0	-42.05	374.30	4.26	-37.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020263461	1	44	-1.0	-42.09	374.35	4.28	-37.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020263462	0	47	-1.0	-39.07	397.18	9.72	-29.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020263462	1	47	-1.0	-39.05	397.24	9.74	-29.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020263463	0	44	-1.0	-44.81	358.79	7.69	-37.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020263463	1	44	-1.0	-44.80	358.73	7.67	-37.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020263464	0	55	-1.0	-45.27	435.83	9.26	-36.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020263464	1	55	-1.0	-45.29	435.88	9.28	-36.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020263465	0	52	-1.0	-47.96	416.99	8.55	-39.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020263465	1	52	-1.0	-47.92	417.04	8.57	-39.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020263466	0	61	0.0	-61.81	448.60	9.40	-52.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020263466	1	61	0.0	-61.83	448.65	9.42	-52.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020263467	0	58	0.0	-66.79	430.83	8.76	-58.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020263467	1	58	0.0	-66.78	430.89	8.78	-58.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020263468	0	53	-1.0	-42.20	431.95	5.04	-37.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020263468	1	53	-1.0	-42.19	432.01	5.06	-37.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020263468	1	54	0.0	-70.90	434.53	7.30	-63.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020263469	0	50	-1.0	-45.01	412.01	4.31	-40.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020263469	1	50	-1.0	-45.03	412.07	4.33	-40.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020263469	1	51	0.0	-68.27	410.79	6.64	-61.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020263470	0	41	-1.0	-40.19	329.99	6.46	-33.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020263470	1	41	-1.0	-40.23	330.05	6.48	-33.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020263471	0	38	-1.0	-41.93	312.42	5.83	-36.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020263471	1	38	-1.0	-41.92	312.37	5.81	-36.11
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS[C@H](C)C1	REAL300020263472	0	45	-1.0	-41.83	372.79	9.34	-32.49
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS[C@H](C)C1	REAL300020263472	1	45	-1.0	-41.84	372.83	9.34	-32.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020263473	0	43	-1.0	-40.62	357.31	5.60	-35.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020263473	1	43	-1.0	-40.62	357.37	5.61	-35.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020263474	0	40	-1.0	-42.82	330.66	4.94	-37.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020263474	1	40	-1.0	-42.86	330.62	4.92	-37.94
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020263475	0	47	-1.0	-41.21	383.69	7.58	-33.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020263475	1	47	-1.0	-41.16	383.72	7.56	-33.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C(=O)OC)=C2)CC1	REAL300020263476	0	49	-1.0	-43.40	414.38	7.59	-35.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C(=O)OC)=C2)CC1	REAL300020263476	1	49	-1.0	-43.42	414.43	7.61	-35.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2OC)CC1	REAL300020263477	0	54	-1.0	-44.31	408.82	9.23	-35.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2OC)CC1	REAL300020263477	1	54	-1.0	-44.37	408.87	9.24	-35.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020263478	0	48	-1.0	-43.32	369.40	5.21	-38.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020263478	1	48	-1.0	-43.34	369.45	5.23	-38.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020263478	1	49	0.0	-46.93	382.99	6.89	-40.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020263479	0	45	-1.0	-43.36	371.16	6.09	-37.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020263479	1	45	-1.0	-43.35	371.22	6.10	-37.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020263479	1	46	0.0	-58.21	364.62	5.30	-52.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCOCC1	REAL300020263480	0	51	-1.0	-42.55	399.26	4.45	-38.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCOCC1	REAL300020263480	1	51	-1.0	-42.54	399.31	4.47	-38.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCOCC1	REAL300020263481	0	48	-1.0	-44.55	371.08	4.93	-39.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCOCC1	REAL300020263481	1	48	-1.0	-44.55	371.02	4.90	-39.65
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020263482	0	43	-1.0	-43.15	350.32	8.68	-34.47
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020263482	1	43	-1.0	-43.17	350.34	8.68	-34.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020263483	0	51	-1.0	-40.84	394.47	7.46	-33.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020263483	1	51	-1.0	-40.81	394.53	7.47	-33.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020263484	0	48	-1.0	-43.01	369.04	6.75	-36.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020263484	1	48	-1.0	-43.05	369.09	6.77	-36.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020263485	0	48	-1.0	-42.05	376.64	9.66	-32.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020263485	1	48	-1.0	-42.12	376.70	9.67	-32.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020263486	0	45	-1.0	-46.43	354.01	9.10	-37.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020263486	1	45	-1.0	-46.42	353.95	9.08	-37.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020263487	0	53	-1.0	-41.86	424.57	7.09	-34.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020263487	1	53	-1.0	-41.80	424.62	7.10	-34.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020263488	0	50	-1.0	-43.58	404.66	6.33	-37.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020263488	1	50	-1.0	-43.60	404.71	6.35	-37.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020263489	0	49	-1.0	-42.99	385.30	5.66	-37.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020263489	1	49	-1.0	-43.02	385.36	5.67	-37.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020263490	0	46	-1.0	-44.02	366.34	4.94	-39.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020263490	1	46	-1.0	-44.04	366.39	4.96	-39.08
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)C1	REAL300020263491	0	45	-1.0	-39.26	365.72	8.34	-30.92
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)C1	REAL300020263491	1	45	-1.0	-39.24	365.77	8.36	-30.88
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)C1	REAL300020263492	0	42	-1.0	-40.76	336.67	8.23	-32.53
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)C1	REAL300020263492	1	42	-1.0	-40.78	336.63	8.21	-32.57
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)C1	REAL300020263493	0	49	-1.0	-42.20	387.84	10.54	-31.66
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)C1	REAL300020263493	1	49	-1.0	-42.14	388.21	10.54	-31.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020263494	0	51	-1.0	-43.16	422.29	4.36	-38.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020263494	1	51	-1.0	-43.19	422.34	4.38	-38.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020263495	0	48	-1.0	-45.40	391.46	3.70	-41.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020263495	1	48	-1.0	-45.40	391.40	3.68	-41.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CCC(C)(C)C	REAL300020263496	0	58	-1.0	-46.01	452.82	10.76	-35.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CCC(C)(C)C	REAL300020263496	1	58	-1.0	-46.01	452.89	10.78	-35.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020263497	0	57	-1.0	-40.57	418.90	8.67	-31.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020263497	1	57	-1.0	-40.55	418.96	8.69	-31.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020263498	0	54	-1.0	-41.93	405.62	7.90	-34.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020263498	1	54	-1.0	-41.98	405.67	7.91	-34.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020263499	0	39	-1.0	-39.86	349.86	6.20	-33.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020263499	1	39	-1.0	-39.87	349.92	6.21	-33.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020263500	0	36	-1.0	-43.90	326.51	5.60	-38.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020263500	1	36	-1.0	-43.90	326.47	5.58	-38.32
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=NS1	REAL300020263501	0	43	-1.0	-43.28	372.97	8.29	-34.99
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=NS1	REAL300020263501	1	43	-1.0	-43.26	373.01	8.29	-34.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020263502	0	40	-1.0	-41.29	326.36	6.58	-34.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020263502	1	40	-1.0	-41.25	326.42	6.60	-34.65
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020263503	0	44	-1.0	-43.05	355.00	8.56	-34.49
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020263503	1	44	-1.0	-43.02	355.03	8.55	-34.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020263504	0	44	-1.0	-41.64	359.08	5.44	-36.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020263504	1	44	-1.0	-41.62	359.14	5.46	-36.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020263505	0	41	-1.0	-41.76	343.17	4.96	-36.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020263505	1	41	-1.0	-41.78	343.23	4.98	-36.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020263506	0	43	-1.0	-38.99	353.26	7.58	-31.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020263506	1	43	-1.0	-38.98	353.32	7.59	-31.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020263507	0	40	-1.0	-45.90	332.34	6.82	-39.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020263507	1	40	-1.0	-45.86	332.28	6.80	-39.06
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020263508	0	47	-1.0	-43.59	378.69	9.55	-34.04
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020263508	1	47	-1.0	-43.59	378.71	9.54	-34.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020263509	0	40	-1.0	-38.27	333.68	6.77	-31.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020263509	1	40	-1.0	-38.31	333.74	6.79	-31.52
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020263510	0	44	-1.0	-41.51	362.88	8.96	-32.55
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020263510	1	44	-1.0	-41.49	362.93	8.94	-32.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020263511	0	48	-1.0	-45.95	383.63	6.34	-39.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020263511	1	48	-1.0	-45.95	383.68	6.36	-39.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020263512	0	45	-1.0	-54.75	356.38	5.47	-49.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020263512	1	45	-1.0	-54.77	356.42	5.48	-49.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020263513	0	43	-1.0	-43.53	366.45	6.65	-36.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020263513	1	43	-1.0	-43.56	366.50	6.66	-36.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020263514	0	40	-1.0	-45.95	342.41	6.07	-39.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020263514	1	40	-1.0	-45.94	342.36	6.05	-39.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020263515	0	59	0.0	-65.78	451.69	8.41	-57.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020263515	1	59	0.0	-65.72	451.74	8.44	-57.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCCOC(C)(C)C)CC1	REAL300020263515	1	58	-1.0	-42.99	452.94	6.09	-36.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCCOC(C)(C)C)CC1	REAL300020263515	1	58	-1.0	-42.91	452.99	6.12	-36.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020263516	0	53	-1.0	-42.29	392.53	9.59	-32.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020263516	1	53	-1.0	-42.27	392.58	9.61	-32.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020263517	0	50	-1.0	-42.78	403.03	10.07	-32.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020263517	1	50	-1.0	-42.76	402.98	10.04	-32.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(CC)C=C2)CC1	REAL300020263518	0	55	-1.0	-42.05	442.64	8.36	-33.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(CC)C=C2)CC1	REAL300020263518	1	56	0.0	-65.97	441.82	10.81	-55.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(CC)C=C2)CC1	REAL300020263518	1	55	-1.0	-42.04	442.70	8.38	-33.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020263519	0	44	-1.0	-39.96	377.54	9.08	-30.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020263519	1	44	-1.0	-39.95	377.60	9.09	-30.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020263520	0	41	-1.0	-43.90	345.55	8.23	-35.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020263520	1	41	-1.0	-43.89	345.49	8.21	-35.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020263521	0	50	-1.0	-41.34	389.43	8.87	-32.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020263521	1	50	-1.0	-41.30	389.49	8.88	-32.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020263522	0	47	-1.0	-44.13	367.59	9.36	-34.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020263522	1	47	-1.0	-44.12	367.53	9.34	-34.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300020263523	0	50	-1.0	-44.79	400.02	7.12	-37.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300020263523	1	50	-1.0	-44.80	400.07	7.15	-37.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020263524	0	56	0.0	-64.06	437.97	10.74	-53.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020263524	1	55	-1.0	-40.61	439.57	8.77	-31.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020263524	1	55	-1.0	-40.60	439.63	8.78	-31.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020263525	0	53	0.0	-60.69	414.23	10.07	-50.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020263525	1	52	-1.0	-42.11	410.70	7.95	-34.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020263525	1	52	-1.0	-42.07	410.76	7.98	-34.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1OC	REAL300020263526	0	48	-1.0	-42.44	374.08	4.13	-38.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1OC	REAL300020263526	1	48	-1.0	-42.39	374.14	4.14	-38.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1OC	REAL300020263527	0	45	-1.0	-46.15	347.51	3.52	-42.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1OC	REAL300020263527	1	45	-1.0	-46.15	347.46	3.50	-42.65
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOCC1OC	REAL300020263528	0	52	-1.0	-43.94	405.31	6.45	-37.49
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOCC1OC	REAL300020263528	1	52	-1.0	-43.94	405.35	6.44	-37.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020263529	0	62	0.0	-67.00	428.26	9.71	-57.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020263529	1	62	0.0	-67.03	428.32	9.72	-57.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020263530	0	59	0.0	-62.57	416.27	9.22	-53.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020263530	1	59	0.0	-62.53	416.33	9.24	-53.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020263531	0	49	0.0	-62.29	375.31	7.86	-54.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020263531	1	49	0.0	-65.58	370.97	7.85	-57.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020263531	1	48	-1.0	-39.19	374.02	5.39	-33.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020263531	1	48	-1.0	-39.21	374.07	5.40	-33.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020263532	0	46	0.0	-68.57	339.23	6.42	-62.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020263532	1	46	0.0	-62.72	354.79	6.88	-55.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020263532	1	46	0.0	-68.57	339.18	6.40	-62.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020263532	1	46	0.0	-62.69	354.73	6.85	-55.84
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020263533	0	53	0.0	-75.44	388.14	9.07	-66.37
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020263533	1	53	0.0	-68.67	397.16	9.73	-58.94
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020263533	1	52	-1.0	-42.17	400.43	7.50	-34.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020263534	0	50	-1.0	-41.92	395.58	7.89	-34.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020263534	1	50	-1.0	-41.96	395.64	7.91	-34.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020263535	0	47	-1.0	-45.64	374.10	7.11	-38.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020263535	1	47	-1.0	-45.62	374.16	7.13	-38.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCCCCCCC	REAL300020263536	0	63	-1.0	-39.96	495.99	12.34	-27.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCCCCCCC	REAL300020263536	1	63	-1.0	-39.96	496.05	12.35	-27.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCCCCCCC	REAL300020263537	0	60	-1.0	-41.59	477.20	11.64	-29.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCCCCCCC	REAL300020263537	1	60	-1.0	-41.58	477.27	11.66	-29.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1Br	REAL300020263538	0	37	-1.0	-41.39	346.10	6.82	-34.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1Br	REAL300020263538	1	37	-1.0	-41.38	346.18	6.85	-34.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020263539	0	50	-1.0	-45.81	412.31	8.62	-37.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020263539	1	50	-1.0	-45.83	412.36	8.63	-37.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020263540	0	47	-1.0	-48.25	389.71	7.73	-40.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020263540	1	47	-1.0	-48.25	389.63	7.71	-40.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020263541	0	45	-1.0	-50.94	392.66	5.60	-45.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020263541	1	45	-1.0	-50.97	392.72	5.62	-45.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020263542	0	42	-1.0	-57.77	366.15	4.94	-52.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020263542	1	42	-1.0	-57.73	366.10	4.91	-52.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020263543	0	44	-1.0	-41.23	375.11	8.18	-33.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020263543	1	44	-1.0	-41.21	375.16	8.19	-33.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020263544	0	41	-1.0	-42.96	349.40	7.51	-35.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020263544	1	41	-1.0	-42.97	349.36	7.48	-35.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020263545	0	52	-1.0	-44.72	421.91	8.71	-36.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020263545	1	52	-1.0	-44.68	421.97	8.72	-35.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020263546	0	49	-1.0	-48.76	402.01	7.96	-40.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020263546	1	49	-1.0	-48.76	402.07	7.98	-40.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CN(C2=CC=CC=C2)C(=O)O1	REAL300020263547	0	49	-1.0	-46.32	405.13	7.89	-38.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CN(C2=CC=CC=C2)C(=O)O1	REAL300020263547	1	49	-1.0	-46.37	405.18	7.90	-38.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020263548	0	48	-1.0	-54.34	383.56	4.98	-49.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020263548	1	48	-1.0	-54.35	383.61	4.99	-49.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020263549	0	45	-1.0	-51.48	368.05	4.51	-46.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020263549	1	45	-1.0	-51.53	368.11	4.53	-47.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020263550	0	52	-1.0	-40.37	409.99	8.04	-32.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020263550	1	52	-1.0	-40.34	410.05	8.06	-32.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020263551	0	49	-1.0	-44.73	391.80	6.64	-38.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020263551	1	49	-1.0	-44.74	391.75	6.63	-38.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020263552	0	41	-1.0	-44.00	341.34	3.30	-40.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020263552	1	41	-1.0	-44.00	341.39	3.31	-40.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020263553	0	38	-1.0	-44.31	297.86	2.80	-41.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020263553	1	38	-1.0	-44.33	297.82	2.78	-41.55
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020263554	0	45	-1.0	-44.70	353.01	5.45	-39.25
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020263554	1	45	-1.0	-44.65	353.04	5.44	-39.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020263555	0	42	-1.0	-40.65	336.19	5.05	-35.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020263555	1	42	-1.0	-40.59	336.24	5.07	-35.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020263556	0	39	-1.0	-42.86	309.68	4.40	-38.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020263556	1	39	-1.0	-42.89	309.63	4.38	-38.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020263557	0	46	-1.0	-43.88	360.84	6.86	-37.02
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020263557	1	46	-1.0	-43.91	360.86	6.84	-37.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020263558	0	50	-1.0	-40.27	410.68	10.19	-30.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020263558	1	50	-1.0	-40.27	410.73	10.20	-30.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020263559	0	47	-1.0	-42.07	387.08	9.51	-32.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020263559	1	47	-1.0	-42.06	387.12	9.54	-32.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020263560	0	48	-1.0	-46.48	398.55	6.07	-40.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020263560	1	48	-1.0	-46.54	398.61	6.09	-40.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020263561	0	45	-1.0	-46.98	373.30	5.38	-41.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020263561	1	45	-1.0	-47.02	373.34	5.40	-41.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020263562	0	48	-1.0	-49.87	376.22	4.81	-45.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020263562	1	48	-1.0	-49.83	376.28	4.83	-45.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020263563	0	45	-1.0	-53.08	360.99	3.92	-49.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020263563	1	45	-1.0	-53.07	360.94	3.89	-49.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020263564	0	50	-1.0	-44.67	424.09	4.96	-39.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020263564	1	50	-1.0	-44.73	424.14	4.98	-39.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020263565	0	47	-1.0	-46.40	402.57	4.18	-42.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020263565	1	47	-1.0	-46.43	402.63	4.20	-42.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020263566	0	48	-1.0	-42.56	393.38	8.42	-34.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020263566	1	48	-1.0	-42.54	393.44	8.44	-34.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020263567	0	45	-1.0	-41.70	375.15	7.81	-33.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020263567	1	45	-1.0	-41.74	375.21	7.83	-33.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020263568	0	56	-1.0	-44.56	447.83	8.65	-35.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020263568	1	56	-1.0	-44.46	444.85	8.66	-35.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020263568	1	56	-1.0	-44.51	447.89	8.67	-35.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020263568	1	56	-1.0	-44.46	444.91	8.68	-35.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020263569	0	53	-1.0	-48.58	426.31	7.87	-40.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020263569	1	53	-1.0	-46.66	413.87	7.21	-39.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020263569	1	53	-1.0	-48.60	426.37	7.89	-40.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020263569	1	53	-1.0	-46.67	413.93	7.24	-39.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020263570	0	53	-1.0	-44.35	428.35	6.03	-38.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020263570	1	53	-1.0	-44.38	428.41	6.04	-38.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020263571	0	50	-1.0	-45.18	392.17	4.56	-40.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020263571	1	50	-1.0	-45.20	392.23	4.58	-40.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020263572	0	48	-1.0	-46.25	397.47	6.03	-40.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020263572	1	48	-1.0	-46.20	397.53	6.04	-40.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020263573	0	45	-1.0	-46.59	374.35	5.15	-41.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020263573	1	45	-1.0	-46.61	374.39	5.18	-41.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020263574	0	43	-1.0	-41.41	355.22	7.24	-34.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020263574	1	43	-1.0	-41.42	355.28	7.25	-34.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020263575	0	40	-1.0	-42.40	329.40	6.52	-35.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020263575	1	40	-1.0	-42.40	329.44	6.54	-35.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020263576	0	47	-1.0	-41.70	374.62	8.27	-33.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020263576	1	47	-1.0	-41.68	374.68	8.28	-33.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020263577	0	44	-1.0	-43.97	347.86	8.03	-35.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020263577	1	44	-1.0	-43.96	347.81	8.01	-35.95
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020263578	0	51	-1.0	-42.03	408.22	11.40	-30.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020263578	1	51	-1.0	-42.02	408.26	11.39	-30.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020263579	0	49	-1.0	-45.21	413.28	6.13	-39.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020263579	1	49	-1.0	-45.15	413.22	6.12	-39.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020263580	0	46	-1.0	-45.21	391.04	5.55	-39.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020263580	1	46	-1.0	-45.24	390.98	5.53	-39.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OCC)C2(COC2)C1	REAL300020263581	0	51	-1.0	-44.32	414.10	6.43	-37.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OCC)C2(COC2)C1	REAL300020263581	1	51	-1.0	-44.33	414.16	6.44	-37.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OCC)C2(COC2)C1	REAL300020263582	0	48	-1.0	-48.44	392.66	5.64	-42.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OCC)C2(COC2)C1	REAL300020263582	1	48	-1.0	-48.45	392.72	5.67	-42.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020263583	0	47	-1.0	-48.38	390.38	4.62	-43.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020263583	1	47	-1.0	-48.42	390.43	4.63	-43.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020263584	0	44	-1.0	-50.82	368.88	3.83	-46.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020263584	1	44	-1.0	-50.83	368.93	3.86	-46.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020263585	0	46	-1.0	-41.84	389.09	7.16	-34.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020263585	1	46	-1.0	-41.84	389.15	7.17	-34.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020263586	0	43	-1.0	-44.84	369.54	6.53	-38.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020263586	1	43	-1.0	-44.83	369.49	6.51	-38.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020263587	0	50	-1.0	-46.53	397.28	4.27	-42.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020263587	1	50	-1.0	-46.54	397.34	4.29	-42.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020263588	0	47	-1.0	-46.25	370.57	3.61	-42.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020263588	1	47	-1.0	-46.24	370.62	3.62	-42.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020263589	0	46	-1.0	-52.20	386.11	2.34	-49.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020263589	1	46	-1.0	-52.17	386.17	2.35	-49.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020263590	0	43	-1.0	-52.82	366.78	1.38	-51.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020263590	1	43	-1.0	-52.86	366.84	1.41	-51.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020263591	0	41	-1.0	-41.99	337.75	4.78	-37.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020263591	1	41	-1.0	-41.99	337.81	4.79	-37.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020263592	0	38	-1.0	-42.20	331.77	4.52	-37.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020263592	1	38	-1.0	-42.17	331.71	4.50	-37.67
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(F)F)C1	REAL300020263593	0	45	-1.0	-42.61	373.21	7.31	-35.30
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(F)F)C1	REAL300020263593	1	45	-1.0	-42.58	373.22	7.30	-35.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020263594	0	44	-1.0	-49.78	365.29	3.64	-46.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020263594	1	44	-1.0	-49.76	365.34	3.65	-46.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020263595	0	41	-1.0	-53.04	341.06	3.04	-50.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020263595	1	41	-1.0	-53.07	341.11	3.05	-50.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020263596	0	59	0.0	-65.69	428.92	9.71	-55.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020263596	1	59	0.0	-65.68	428.98	9.73	-55.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020263597	0	56	0.0	-62.41	407.60	8.94	-53.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020263597	1	56	0.0	-62.45	407.66	8.97	-53.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020263598	0	45	-1.0	-42.67	370.68	7.36	-35.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020263598	1	45	-1.0	-42.69	370.74	7.38	-35.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020263599	0	42	-1.0	-45.68	346.90	6.71	-38.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020263599	1	42	-1.0	-45.68	346.86	6.69	-38.99
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020263600	0	49	-1.0	-44.99	399.74	9.35	-35.64
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020263600	1	49	-1.0	-44.97	399.78	9.34	-35.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020263601	0	46	-1.0	-39.77	399.07	9.11	-30.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020263601	1	46	-1.0	-39.80	399.12	9.12	-30.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020263602	0	43	-1.0	-40.99	377.72	8.33	-32.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020263602	1	43	-1.0	-40.98	377.67	8.31	-32.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020263603	0	45	-1.0	-47.87	369.20	7.04	-40.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020263603	1	45	-1.0	-47.82	369.25	7.06	-40.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020263604	0	42	-1.0	-50.16	349.74	6.57	-43.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020263604	1	42	-1.0	-50.15	349.68	6.54	-43.61
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020263605	0	49	-1.0	-48.62	392.82	9.18	-39.44
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020263605	1	49	-1.0	-48.59	392.87	9.17	-39.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020263606	0	50	-1.0	-43.48	388.79	5.26	-38.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020263606	1	50	-1.0	-43.50	388.84	5.27	-38.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020263607	0	47	-1.0	-45.54	372.14	4.48	-41.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020263607	1	47	-1.0	-45.47	372.08	4.46	-41.01
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020263608	0	54	-1.0	-44.08	413.12	7.10	-36.98
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020263608	1	54	-1.0	-44.09	413.15	7.08	-37.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020263609	0	51	-1.0	-40.14	380.66	10.19	-29.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020263609	1	51	-1.0	-40.17	380.72	10.21	-29.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020263610	0	48	-1.0	-41.59	364.23	9.51	-32.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020263610	1	48	-1.0	-41.57	364.17	9.49	-32.08
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020263611	0	55	-1.0	-42.32	412.68	12.21	-30.11
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020263611	1	55	-1.0	-42.31	412.70	12.19	-30.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020263612	0	45	-1.0	-43.69	368.13	2.70	-40.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020263612	1	45	-1.0	-43.69	368.19	2.71	-40.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020263613	0	42	-1.0	-44.40	351.73	1.76	-42.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020263613	1	42	-1.0	-44.43	351.67	1.74	-42.69
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCO)C1	REAL300020263614	0	49	-1.0	-44.12	394.35	4.62	-39.50
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCO)C1	REAL300020263614	1	49	-1.0	-44.07	394.39	4.62	-39.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020263615	0	48	-1.0	-43.48	380.59	2.52	-40.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020263615	1	48	-1.0	-43.43	380.65	2.54	-40.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020263616	0	45	-1.0	-44.54	352.99	1.90	-42.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020263616	1	45	-1.0	-44.54	352.93	1.87	-42.67
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020263617	0	52	-1.0	-44.64	403.39	4.68	-39.96
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020263617	1	52	-1.0	-44.65	403.43	4.67	-39.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020263618	0	51	-1.0	-44.86	420.54	7.85	-37.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020263618	1	51	-1.0	-44.85	420.60	7.86	-36.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020263619	0	48	-1.0	-50.01	391.35	5.96	-44.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020263619	1	48	-1.0	-50.02	391.29	5.94	-44.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020263620	0	42	-1.0	-42.79	346.29	7.09	-35.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020263620	1	42	-1.0	-42.72	346.34	7.10	-35.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020263621	0	39	-1.0	-46.72	321.87	5.97	-40.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020263621	1	39	-1.0	-46.71	321.82	5.94	-40.77
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020263622	0	46	-1.0	-44.66	374.34	9.62	-35.04
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020263622	1	46	-1.0	-45.58	372.12	8.87	-36.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020263623	0	50	-1.0	-43.56	404.69	7.92	-35.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020263623	1	50	-1.0	-43.54	404.75	7.94	-35.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020263624	0	47	-1.0	-45.05	384.86	7.17	-37.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020263624	1	47	-1.0	-45.07	384.91	7.20	-37.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020263625	0	41	-1.0	-45.04	343.44	7.01	-38.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020263625	1	41	-1.0	-45.10	343.49	7.02	-38.08
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020263626	0	45	-1.0	-45.83	371.14	9.09	-36.74
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020263626	1	45	-1.0	-45.83	371.26	9.08	-36.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020263627	0	48	-1.0	-42.10	375.38	6.87	-35.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020263627	1	48	-1.0	-42.11	375.44	6.89	-35.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020263628	0	45	-1.0	-42.80	360.55	6.10	-36.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020263628	1	45	-1.0	-42.77	360.51	6.08	-36.69
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020263629	0	52	-1.0	-44.96	402.18	8.67	-36.29
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020263629	1	52	-1.0	-44.91	402.21	8.66	-36.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020263630	0	41	-1.0	-44.39	349.86	7.24	-37.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020263630	1	41	-1.0	-44.41	349.91	7.25	-37.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020263631	0	38	-1.0	-46.06	326.98	6.41	-39.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020263631	1	38	-1.0	-46.06	327.04	6.44	-39.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020263632	0	50	-1.0	-40.04	402.86	10.43	-29.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020263632	1	50	-1.0	-40.05	402.92	10.45	-29.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020263633	0	47	-1.0	-42.11	381.35	9.68	-32.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020263633	1	47	-1.0	-42.15	381.30	9.65	-32.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020263634	0	47	-1.0	-42.90	384.08	9.13	-33.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020263634	1	47	-1.0	-42.95	384.14	9.15	-33.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020263635	0	44	-1.0	-47.77	361.60	8.49	-39.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020263635	1	44	-1.0	-47.73	361.66	8.51	-39.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020263636	0	45	-1.0	-42.06	371.89	3.80	-38.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020263636	1	45	-1.0	-42.06	371.95	3.82	-38.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020263637	0	42	-1.0	-45.95	348.23	3.00	-42.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020263637	1	42	-1.0	-45.92	348.17	2.98	-42.94
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020263638	0	49	-1.0	-45.97	398.24	5.75	-40.22
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020263638	1	49	-1.0	-45.98	398.25	5.74	-40.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020263639	0	42	-1.0	-45.01	337.37	5.23	-39.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020263639	1	42	-1.0	-44.99	337.42	5.25	-39.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020263640	0	39	-1.0	-48.69	315.59	4.57	-44.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020263640	1	39	-1.0	-48.64	315.53	4.55	-44.09
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020263641	0	46	-1.0	-42.99	360.12	6.94	-36.05
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020263641	1	46	-1.0	-42.98	360.15	6.93	-36.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020263642	0	44	-1.0	-41.80	359.77	7.72	-34.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020263642	1	44	-1.0	-41.76	359.83	7.73	-34.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020263643	0	41	-1.0	-45.87	338.32	6.95	-38.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020263643	1	41	-1.0	-45.82	338.27	6.93	-38.89
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020263644	0	48	-1.0	-44.98	377.25	9.48	-35.50
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020263644	1	48	-1.0	-44.97	377.28	9.48	-35.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](CC)[C@@](F)(C(=O)OCC)C1	REAL300020263645	0	52	-1.0	-39.99	419.64	8.64	-31.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](CC)[C@@](F)(C(=O)OCC)C1	REAL300020263645	1	52	-1.0	-40.01	419.70	8.66	-31.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](CC)[C@@](F)(C(=O)OCC)C1	REAL300020263646	0	49	-1.0	-42.36	408.97	8.08	-34.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](CC)[C@@](F)(C(=O)OCC)C1	REAL300020263646	1	49	-1.0	-42.36	409.02	8.12	-34.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020263647	0	52	-1.0	-40.63	410.47	8.14	-32.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020263647	1	52	-1.0	-40.67	410.53	8.15	-32.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020263648	0	49	-1.0	-44.62	389.61	7.65	-36.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020263648	1	49	-1.0	-44.65	389.56	7.62	-37.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)C=C1C	REAL300020263649	0	56	-1.0	-40.00	446.04	9.27	-30.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)C=C1C	REAL300020263649	1	56	-1.0	-40.00	446.11	9.28	-30.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)C=C1C	REAL300020263650	0	53	-1.0	-41.99	429.78	8.69	-33.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)C=C1C	REAL300020263650	1	53	-1.0	-41.98	429.73	8.67	-33.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020263651	0	44	-1.0	-41.19	372.53	8.08	-33.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020263651	1	44	-1.0	-41.26	372.59	8.09	-33.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020263652	0	41	-1.0	-45.32	346.58	7.36	-37.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020263652	1	41	-1.0	-45.36	346.63	7.38	-37.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020263653	0	42	-1.0	-40.58	346.43	7.31	-33.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020263653	1	42	-1.0	-40.57	346.49	7.33	-33.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020263654	0	39	-1.0	-42.61	319.92	6.66	-35.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020263654	1	39	-1.0	-42.64	319.88	6.65	-35.99
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020263655	0	46	-1.0	-43.54	375.30	9.28	-34.26
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020263655	1	46	-1.0	-43.55	375.34	9.26	-34.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020263656	0	54	-1.0	-42.99	432.99	5.73	-37.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020263656	1	54	-1.0	-42.99	433.05	5.75	-37.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020263657	0	45	-1.0	-45.53	373.44	4.79	-40.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020263657	1	45	-1.0	-45.54	373.50	4.81	-40.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020263658	0	42	-1.0	-48.21	349.39	4.21	-44.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020263658	1	42	-1.0	-48.17	349.35	4.19	-43.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	REAL300020263659	0	50	-1.0	-46.40	400.60	8.68	-37.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	REAL300020263659	1	50	-1.0	-46.33	400.66	8.70	-37.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	REAL300020263660	0	47	-1.0	-49.55	376.85	8.23	-41.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	REAL300020263660	1	47	-1.0	-49.53	376.90	8.23	-41.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(N3CCCC3=O)=CC=C21	REAL300020263661	0	49	-1.0	-49.89	388.32	11.01	-38.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(N3CCCC3=O)=CC=C21	REAL300020263661	1	49	-1.0	-49.84	388.27	10.99	-38.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020263662	0	41	-1.0	-39.62	353.26	6.97	-32.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020263662	1	41	-1.0	-39.65	353.32	6.98	-32.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020263663	0	38	-1.0	-42.08	331.77	6.16	-35.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020263663	1	38	-1.0	-42.12	331.83	6.19	-35.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020263664	0	49	-1.0	-44.08	412.95	7.87	-36.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020263664	1	49	-1.0	-44.08	413.00	7.88	-36.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020263665	0	46	-1.0	-46.99	391.22	7.08	-39.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020263665	1	46	-1.0	-47.00	391.28	7.10	-39.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020263666	0	56	-1.0	-39.89	447.94	11.73	-28.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020263666	1	56	-1.0	-39.92	447.99	11.74	-28.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020263667	0	53	-1.0	-42.61	423.46	11.26	-31.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020263667	1	53	-1.0	-42.65	423.50	11.28	-31.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020263668	0	56	-1.0	-38.96	423.61	9.65	-29.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020263668	1	56	-1.0	-39.00	423.67	9.67	-29.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020263669	0	53	-1.0	-43.40	408.23	9.38	-34.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020263669	1	53	-1.0	-43.39	408.18	9.36	-34.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020263670	0	43	-1.0	-42.16	356.05	6.89	-35.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020263670	1	43	-1.0	-42.17	356.10	6.91	-35.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020263671	0	40	-1.0	-42.07	316.98	6.92	-35.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020263671	1	40	-1.0	-42.08	316.94	6.91	-35.17
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC(F)F)C1CCC1	REAL300020263672	0	47	-1.0	-48.45	379.86	8.40	-40.05
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC(F)F)C1CCC1	REAL300020263672	1	47	-1.0	-48.42	379.91	8.39	-40.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020263673	0	49	-1.0	-45.93	397.78	5.10	-40.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020263673	1	49	-1.0	-45.94	397.84	5.11	-40.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020263674	0	46	-1.0	-46.88	373.11	5.24	-41.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020263674	1	46	-1.0	-46.92	373.05	5.21	-41.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020263675	0	44	-1.0	-38.96	359.30	5.90	-33.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020263675	1	44	-1.0	-38.93	359.35	5.92	-33.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020263676	0	41	-1.0	-41.20	335.52	5.25	-35.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020263676	1	41	-1.0	-41.18	335.47	5.23	-35.95
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020263677	0	48	-1.0	-41.69	388.35	7.89	-33.80
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020263677	1	48	-1.0	-41.66	388.39	7.88	-33.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020263678	0	51	-1.0	-39.40	413.65	9.10	-30.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020263678	1	51	-1.0	-39.42	413.71	9.11	-30.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020263679	0	48	-1.0	-40.99	390.46	8.50	-32.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020263679	1	48	-1.0	-40.99	390.51	8.52	-32.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020263680	0	43	-1.0	-42.34	358.04	5.17	-37.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020263680	1	43	-1.0	-42.32	358.09	5.19	-37.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020263681	0	40	-1.0	-43.66	338.25	4.46	-39.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020263681	1	40	-1.0	-43.63	338.18	4.44	-39.19
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020263682	0	47	-1.0	-45.29	381.66	7.21	-38.08
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020263682	1	47	-1.0	-45.28	381.73	7.20	-38.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020263683	0	47	-1.0	-40.36	379.27	8.70	-31.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020263683	1	47	-1.0	-40.37	379.32	8.72	-31.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020263684	0	44	-1.0	-45.40	350.76	7.85	-37.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020263684	1	44	-1.0	-45.36	350.81	7.86	-37.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)C(C)=C1	REAL300020263685	0	56	-1.0	-39.79	454.42	9.15	-30.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)C(C)=C1	REAL300020263685	1	56	-1.0	-39.80	454.47	9.16	-30.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)C(C)=C1	REAL300020263686	0	53	-1.0	-42.95	416.48	8.15	-34.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)C(C)=C1	REAL300020263686	1	53	-1.0	-42.94	416.43	8.14	-34.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020263687	0	52	-1.0	-47.99	410.12	4.89	-43.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020263687	1	52	-1.0	-48.06	410.17	4.90	-43.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020263688	0	49	-1.0	-49.91	387.89	4.80	-45.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020263688	1	49	-1.0	-49.94	387.93	4.82	-45.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020263689	0	49	-1.0	-45.19	392.66	7.56	-37.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020263689	1	49	-1.0	-45.26	392.71	7.58	-37.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020263690	0	46	-1.0	-45.73	368.57	6.96	-38.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020263690	1	46	-1.0	-45.78	368.62	6.98	-38.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC(C)=CS2)C1	REAL300020263691	0	52	-1.0	-41.91	431.22	8.53	-33.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC(C)=CS2)C1	REAL300020263691	1	52	-1.0	-41.92	431.28	8.54	-33.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC(C)=CS2)C1	REAL300020263692	0	49	-1.0	-44.27	412.37	7.82	-36.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC(C)=CS2)C1	REAL300020263692	1	49	-1.0	-44.21	412.43	7.84	-36.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=C(CCC3)S2)C1	REAL300020263693	0	50	-1.0	-44.66	417.53	8.59	-36.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=C(CCC3)S2)C1	REAL300020263693	1	50	-1.0	-44.72	417.59	8.62	-36.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020263694	0	51	-1.0	-40.69	414.73	7.61	-33.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020263694	1	51	-1.0	-40.70	414.78	7.62	-33.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020263695	0	48	-1.0	-42.53	390.99	6.93	-35.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020263695	1	48	-1.0	-42.51	391.04	6.96	-35.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020263696	0	56	0.0	-67.43	413.68	9.22	-58.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020263696	1	56	0.0	-67.46	413.73	9.24	-58.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020263697	0	53	0.0	-66.35	377.69	7.67	-58.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020263697	1	53	0.0	-66.38	377.75	7.70	-58.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020263698	0	52	-1.0	-47.34	410.83	5.61	-41.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020263698	1	52	-1.0	-47.32	410.89	5.62	-41.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020263699	0	49	-1.0	-52.78	385.51	4.88	-47.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020263699	1	49	-1.0	-52.76	385.58	4.89	-47.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020263700	0	49	-1.0	-39.90	367.96	8.12	-31.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020263700	1	49	-1.0	-39.91	368.01	8.13	-31.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020263701	0	46	-1.0	-43.79	355.28	7.46	-36.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020263701	1	46	-1.0	-43.83	355.23	7.44	-36.39
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020263702	0	53	-1.0	-41.87	395.97	10.06	-31.81
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020263702	1	53	-1.0	-41.87	396.00	10.06	-31.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020263703	0	52	-1.0	-40.61	424.12	8.94	-31.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020263703	1	52	-1.0	-40.61	424.17	8.96	-31.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020263704	0	49	-1.0	-43.76	399.64	8.48	-35.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020263704	1	49	-1.0	-43.76	399.68	8.49	-35.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C3C=CNC3=CC=C2)CC1	REAL300020263705	0	51	-1.0	-46.18	414.39	9.58	-36.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C3C=CNC3=CC=C2)CC1	REAL300020263705	1	51	-1.0	-46.20	414.33	9.63	-36.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC(C(=O)OCC)=NN2CC1C	REAL300020263706	0	50	-1.0	-49.73	413.14	6.70	-43.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC(C(=O)OCC)=NN2CC1C	REAL300020263706	1	50	-1.0	-49.75	413.19	6.71	-43.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020263707	0	50	-1.0	-46.56	408.30	8.04	-38.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020263707	1	50	-1.0	-46.56	408.36	8.05	-38.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020263708	0	47	-1.0	-46.68	388.11	7.32	-39.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020263708	1	47	-1.0	-46.70	388.06	7.29	-39.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020263709	0	49	-1.0	-40.13	411.21	8.39	-31.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020263709	1	49	-1.0	-40.15	411.27	8.40	-31.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020263710	0	46	-1.0	-42.98	391.91	7.43	-35.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020263710	1	46	-1.0	-42.99	391.97	7.46	-35.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020263711	0	52	-1.0	-43.98	421.59	1.83	-42.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020263711	1	52	-1.0	-44.02	421.65	1.84	-42.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020263712	0	49	-1.0	-47.12	401.69	1.07	-46.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020263712	1	49	-1.0	-47.13	401.75	1.10	-46.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC=C)CC1	REAL300020263713	0	48	-1.0	-40.80	387.00	5.43	-35.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC=C)CC1	REAL300020263713	1	48	-1.0	-40.84	387.06	5.44	-35.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC=C)CC1	REAL300020263714	0	45	-1.0	-43.99	367.12	4.71	-39.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC=C)CC1	REAL300020263714	1	45	-1.0	-43.98	367.06	4.68	-39.30
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(O)(CC=C)CC1	REAL300020263715	0	52	-1.0	-43.23	411.10	7.52	-35.71
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(O)(CC=C)CC1	REAL300020263715	1	52	-1.0	-43.15	411.16	7.51	-35.64
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCF	REAL300020263716	0	43	-1.0	-41.87	362.03	8.30	-33.57
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCF	REAL300020263716	1	43	-1.0	-41.91	362.08	8.29	-33.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020263717	0	50	-1.0	-49.69	423.99	7.35	-42.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020263717	1	50	-1.0	-49.67	423.93	7.34	-42.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020263718	0	47	-1.0	-53.08	402.43	6.59	-46.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020263718	1	47	-1.0	-53.11	402.37	6.55	-46.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=NC2=CC=CC=C2S1)C1CC1	REAL300020263719	0	46	-1.0	-45.10	380.98	8.29	-36.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=NC2=CC=CC=C2S1)C1CC1	REAL300020263719	1	46	-1.0	-45.09	380.93	8.27	-36.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020263720	0	50	-1.0	-38.75	407.54	9.74	-29.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020263720	1	50	-1.0	-38.75	407.60	9.76	-28.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020263721	0	47	-1.0	-39.91	384.08	9.14	-30.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020263721	1	47	-1.0	-39.94	384.04	9.13	-30.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020263722	0	47	-1.0	-45.21	385.46	9.50	-35.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020263722	1	47	-1.0	-45.20	385.41	9.49	-35.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020263723	0	44	-1.0	-47.19	358.84	8.84	-38.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020263723	1	44	-1.0	-47.17	358.79	8.82	-38.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=C(C#N)C=N2)C1	REAL300020263724	0	49	-1.0	-48.46	412.49	7.26	-41.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=C(C#N)C=N2)C1	REAL300020263724	1	49	-1.0	-48.42	412.43	7.24	-41.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020263725	0	44	-1.0	-38.23	375.19	6.39	-31.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020263725	1	44	-1.0	-38.27	375.25	6.40	-31.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020263726	0	41	-1.0	-39.87	351.37	5.72	-34.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020263726	1	41	-1.0	-39.89	351.42	5.73	-34.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020263727	0	51	-1.0	-45.13	419.55	6.64	-38.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020263727	1	51	-1.0	-45.18	419.61	6.66	-38.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020263728	0	48	-1.0	-45.64	394.34	5.96	-39.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020263728	1	48	-1.0	-45.67	394.39	5.98	-39.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020263729	0	53	-1.0	-39.83	406.12	9.21	-30.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020263729	1	53	-1.0	-39.87	406.17	9.22	-30.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020263730	0	50	-1.0	-44.01	387.05	9.57	-34.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020263730	1	50	-1.0	-44.00	387.00	9.56	-34.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020263731	0	52	-1.0	-45.80	421.99	8.36	-37.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020263731	1	52	-1.0	-45.80	422.05	8.38	-37.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020263732	0	49	-1.0	-47.64	393.97	6.83	-40.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020263732	1	49	-1.0	-47.62	393.91	6.81	-40.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020263733	0	50	-1.0	-41.69	415.89	10.37	-31.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020263733	1	50	-1.0	-41.68	415.94	10.38	-31.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020263734	0	47	-1.0	-45.32	395.19	9.73	-35.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020263734	1	47	-1.0	-45.30	395.14	9.71	-35.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020263735	0	54	-1.0	-40.06	415.67	8.06	-32.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020263735	1	54	-1.0	-40.06	415.73	8.08	-31.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020263736	0	51	-1.0	-42.87	395.78	7.31	-35.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020263736	1	51	-1.0	-42.92	395.84	7.33	-35.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020263737	0	45	-1.0	-46.87	374.94	0.77	-46.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020263737	1	45	-1.0	-46.82	375.00	0.78	-46.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020263738	0	42	-1.0	-45.76	360.06	-0.09	-45.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020263738	1	42	-1.0	-45.75	360.12	-0.06	-45.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020263739	0	45	-1.0	-48.94	387.66	3.67	-45.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020263739	1	45	-1.0	-48.93	387.71	3.68	-45.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020263740	0	42	-1.0	-48.47	368.61	2.67	-45.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020263740	1	42	-1.0	-48.46	368.66	2.70	-45.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020263741	0	44	-1.0	-42.04	357.70	7.69	-34.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020263741	1	44	-1.0	-42.03	357.76	7.71	-34.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020263742	0	41	-1.0	-43.50	333.73	7.13	-36.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020263742	1	41	-1.0	-43.50	333.69	7.11	-36.39
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020263743	0	48	-1.0	-44.37	385.48	9.64	-34.73
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020263743	1	48	-1.0	-44.35	385.52	9.63	-34.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020263744	0	49	-1.0	-41.59	409.77	8.04	-33.55
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020263744	1	49	-1.0	-41.60	409.83	8.05	-33.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020263745	0	46	-1.0	-44.48	389.65	7.36	-37.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020263745	1	46	-1.0	-44.44	389.71	7.38	-37.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020263746	0	43	-1.0	-46.53	365.23	5.41	-41.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020263746	1	43	-1.0	-46.54	365.29	5.43	-41.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020263747	0	40	-1.0	-44.66	338.35	4.92	-39.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020263747	1	40	-1.0	-44.65	338.29	4.89	-39.76
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020263748	0	47	-1.0	-48.45	395.05	7.41	-41.04
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020263748	1	47	-1.0	-48.42	395.07	7.40	-41.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C2=CC=CS2)=NO1	REAL300020263749	0	45	-1.0	-41.21	404.67	6.26	-34.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C2=CC=CS2)=NO1	REAL300020263749	1	45	-1.0	-41.22	404.61	6.24	-34.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C2=CC=CS2)=NO1	REAL300020263750	0	42	-1.0	-41.82	386.54	5.47	-36.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C2=CC=CS2)=NO1	REAL300020263750	1	42	-1.0	-41.80	386.48	5.45	-36.35
C#CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC=C)C1CCCC2=CC=CC=C21	REAL300020263751	0	52	-1.0	-40.62	410.04	10.63	-29.99
C#CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC=C)C1CCCC2=CC=CC=C21	REAL300020263751	1	52	-1.0	-40.64	410.10	10.64	-30.00
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC=C)C1CCCC2=CC=CC=C21	REAL300020263752	0	49	-1.0	-43.13	403.56	10.58	-32.55
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC=C)C1CCCC2=CC=CC=C21	REAL300020263752	1	49	-1.0	-43.12	403.50	10.56	-32.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020263753	0	46	-1.0	-40.98	403.56	7.37	-33.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020263753	1	46	-1.0	-40.99	403.62	7.38	-33.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020263754	0	43	-1.0	-45.70	379.04	6.72	-38.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020263754	1	43	-1.0	-45.75	378.98	6.70	-39.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020263755	0	44	-1.0	-47.61	364.09	8.70	-38.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020263755	1	44	-1.0	-47.60	364.04	8.68	-38.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020263756	0	41	-1.0	-49.12	346.41	8.05	-41.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020263756	1	41	-1.0	-49.09	346.35	8.03	-41.06
C=CCN1C(NC2=CN(C3CCC3)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020263757	0	48	-1.0	-48.98	396.81	10.77	-38.21
C=CCN1C(NC2=CN(C3CCC3)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020263757	1	48	-1.0	-48.92	396.78	10.78	-38.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020263758	0	41	-1.0	-38.50	352.97	4.39	-34.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020263758	1	41	-1.0	-38.50	353.03	4.41	-34.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020263759	0	38	-1.0	-39.75	327.51	3.87	-35.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020263759	1	38	-1.0	-39.76	327.55	3.89	-35.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020263760	0	50	-1.0	-40.98	393.56	7.99	-32.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020263760	1	50	-1.0	-40.98	393.50	7.98	-33.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020263761	0	47	-1.0	-44.65	364.91	7.75	-36.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020263761	1	47	-1.0	-44.63	364.87	7.74	-36.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020263762	0	47	-1.0	-40.18	358.34	9.24	-30.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020263762	1	47	-1.0	-40.20	358.40	9.26	-30.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020263763	0	44	-1.0	-42.79	337.73	8.48	-34.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020263763	1	44	-1.0	-42.80	337.67	8.45	-34.35
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020263764	0	51	-1.0	-42.09	375.92	11.27	-30.82
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020263764	1	51	-1.0	-42.05	375.94	11.26	-30.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020263765	0	50	0.0	-69.38	380.64	7.63	-61.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020263765	1	50	0.0	-66.15	381.09	8.10	-58.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020263765	1	50	0.0	-69.39	380.70	7.65	-61.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020263765	1	50	0.0	-66.10	381.15	8.11	-57.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020263766	0	47	0.0	-68.96	357.99	7.12	-61.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020263766	1	47	0.0	-59.95	369.85	6.92	-53.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020263766	1	47	0.0	-68.95	357.94	7.11	-61.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020263766	1	47	0.0	-59.93	369.79	6.89	-53.04
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020263767	0	54	0.0	-72.44	409.22	9.56	-62.88
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020263767	1	54	0.0	-70.54	409.19	9.51	-61.03
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020263767	1	54	0.0	-72.43	409.22	9.54	-62.89
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020263767	1	54	0.0	-70.52	409.23	9.50	-61.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020263768	0	48	-1.0	-43.46	380.09	4.15	-39.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020263768	1	48	-1.0	-43.51	380.15	4.17	-39.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020263769	0	45	-1.0	-46.34	356.97	3.25	-43.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020263769	1	45	-1.0	-46.38	356.91	3.23	-43.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020263770	0	49	-1.0	-38.89	390.27	9.16	-29.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020263770	1	49	-1.0	-38.90	390.32	9.18	-29.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020263771	0	46	-1.0	-41.00	364.50	8.51	-32.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020263771	1	46	-1.0	-41.00	364.46	8.48	-32.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020263772	0	49	-1.0	-44.08	412.95	7.87	-36.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020263772	1	49	-1.0	-44.08	413.00	7.88	-36.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020263773	0	46	-1.0	-46.99	391.22	7.08	-39.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020263773	1	46	-1.0	-47.00	391.28	7.10	-39.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020263774	0	41	-1.0	-41.29	376.11	7.89	-33.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020263774	1	41	-1.0	-41.33	376.16	7.90	-33.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020263775	0	38	-1.0	-43.30	352.71	7.31	-35.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020263775	1	38	-1.0	-43.25	352.65	7.28	-35.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020263776	0	49	-1.0	-47.04	399.79	2.32	-44.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020263776	1	49	-1.0	-47.02	399.84	2.33	-44.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020263777	0	46	-1.0	-47.86	373.17	1.17	-46.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020263777	1	46	-1.0	-47.87	373.23	1.19	-46.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020263778	0	41	-1.0	-42.19	317.68	6.77	-35.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020263778	1	41	-1.0	-42.17	317.73	6.79	-35.38
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020263779	0	45	-1.0	-43.54	351.57	8.94	-34.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020263779	1	45	-1.0	-43.51	351.57	8.92	-34.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020263780	0	48	-1.0	-53.98	394.65	2.27	-51.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020263780	1	48	-1.0	-53.98	394.70	2.29	-51.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020263781	0	45	-1.0	-55.78	375.79	1.54	-54.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020263781	1	45	-1.0	-55.77	375.84	1.57	-54.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020263782	0	49	-1.0	-40.72	374.60	8.69	-32.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020263782	1	49	-1.0	-40.73	374.66	8.70	-32.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020263783	0	46	-1.0	-45.76	348.05	7.71	-38.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020263783	1	46	-1.0	-45.73	347.99	7.69	-38.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020263784	0	51	-1.0	-40.36	377.77	8.79	-31.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020263784	1	51	-1.0	-40.35	377.83	8.80	-31.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020263785	0	48	-1.0	-43.87	358.70	8.08	-35.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020263785	1	48	-1.0	-43.86	358.64	8.05	-35.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020263786	0	44	-1.0	-48.30	364.00	3.47	-44.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020263786	1	44	-1.0	-48.31	364.05	3.49	-44.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020263787	0	41	-1.0	-48.37	337.20	2.81	-45.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020263787	1	41	-1.0	-48.39	337.25	2.83	-45.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020263788	0	51	-1.0	-40.75	413.80	10.21	-30.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020263788	1	51	-1.0	-40.70	413.86	10.23	-30.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020263789	0	48	-1.0	-41.99	389.79	9.63	-32.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020263789	1	48	-1.0	-42.02	389.74	9.61	-32.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020263790	0	46	-1.0	-42.68	368.38	5.60	-37.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020263790	1	46	-1.0	-42.68	368.44	5.62	-37.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020263791	0	43	-1.0	-46.76	344.32	4.85	-41.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020263791	1	43	-1.0	-46.75	344.27	4.83	-41.92
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1OCCO1	REAL300020263792	0	50	-1.0	-45.86	399.29	7.56	-38.30
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1OCCO1	REAL300020263792	1	50	-1.0	-45.92	399.34	7.55	-38.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020263793	0	43	-1.0	-48.79	354.13	4.38	-44.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020263793	1	43	-1.0	-48.80	354.19	4.40	-44.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020263794	0	40	-1.0	-46.29	339.22	4.65	-41.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020263794	1	40	-1.0	-46.27	339.16	4.62	-41.65
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020263795	0	47	-1.0	-48.98	391.82	7.22	-41.76
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020263795	1	47	-1.0	-48.97	391.86	7.21	-41.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020263796	0	46	-1.0	-44.32	376.75	7.45	-36.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020263796	1	46	-1.0	-44.28	376.81	7.46	-36.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020263797	0	43	-1.0	-44.59	357.27	6.85	-37.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020263797	1	43	-1.0	-44.56	357.22	6.83	-37.73
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020263798	0	50	-1.0	-45.89	401.88	9.32	-36.57
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020263798	1	50	-1.0	-45.84	401.91	9.30	-36.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=C(C=CC=C2C(=O)OC)C1	REAL300020263799	0	48	-1.0	-47.76	378.68	7.46	-40.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=C(C=CC=C2C(=O)OC)C1	REAL300020263799	1	48	-1.0	-47.72	378.64	7.45	-40.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020263800	0	46	-1.0	-52.03	373.65	3.72	-48.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020263800	1	46	-1.0	-52.04	373.71	3.73	-48.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020263801	0	43	-1.0	-53.88	354.55	2.88	-51.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020263801	1	43	-1.0	-53.87	354.60	2.91	-50.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020263802	0	49	-1.0	-55.61	389.38	4.72	-50.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020263802	1	49	-1.0	-55.59	389.44	4.73	-50.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020263803	0	46	-1.0	-56.94	372.59	4.11	-52.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020263803	1	46	-1.0	-56.95	372.65	4.14	-52.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020263804	0	49	-1.0	-49.36	393.62	4.89	-44.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020263804	1	49	-1.0	-49.39	393.68	4.90	-44.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020263805	0	46	-1.0	-51.14	371.00	4.25	-46.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020263805	1	46	-1.0	-51.12	371.02	4.28	-46.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020263806	0	56	-1.0	-42.59	446.33	7.41	-35.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020263806	1	56	-1.0	-42.59	446.39	7.42	-35.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020263807	0	53	-1.0	-46.67	422.51	6.74	-39.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020263807	1	53	-1.0	-46.69	422.56	6.75	-39.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020263808	0	48	-1.0	-43.74	403.89	4.02	-39.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020263808	1	48	-1.0	-43.75	403.95	4.04	-39.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020263809	0	45	-1.0	-45.49	383.93	3.26	-42.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020263809	1	45	-1.0	-45.46	383.98	3.29	-42.17
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020263810	0	45	-1.0	-49.17	356.44	3.03	-46.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020263810	1	45	-1.0	-49.13	356.49	3.04	-46.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020263811	0	42	-1.0	-51.78	333.55	2.40	-49.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020263811	1	42	-1.0	-51.81	333.50	2.37	-49.44
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020263812	0	49	-1.0	-41.89	379.48	5.05	-36.84
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020263812	1	49	-1.0	-41.88	379.52	5.04	-36.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020263813	0	45	-1.0	-48.49	376.37	1.55	-46.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020263813	1	45	-1.0	-48.51	376.43	1.56	-46.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020263814	0	42	-1.0	-50.93	352.73	0.69	-50.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020263814	1	42	-1.0	-50.97	352.79	0.72	-50.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020263815	0	44	-1.0	-40.02	385.76	7.42	-32.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020263815	1	44	-1.0	-39.98	385.70	7.40	-32.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020263816	0	41	-1.0	-47.35	357.18	6.64	-40.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020263816	1	41	-1.0	-47.37	357.12	6.62	-40.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CSC)CC1	REAL300020263817	0	47	-1.0	-40.02	390.98	8.44	-31.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CSC)CC1	REAL300020263817	1	47	-1.0	-40.02	391.04	8.46	-31.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC)CC1	REAL300020263818	0	44	-1.0	-42.61	367.25	7.77	-34.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC)CC1	REAL300020263818	1	44	-1.0	-42.63	367.30	7.79	-34.84
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CSC)CC1	REAL300020263819	0	51	-1.0	-43.28	420.19	10.63	-32.65
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CSC)CC1	REAL300020263819	1	51	-1.0	-43.28	420.24	10.61	-32.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020263820	0	45	-1.0	-51.72	376.59	3.35	-48.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020263820	1	45	-1.0	-51.69	376.65	3.37	-48.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020263821	0	42	-1.0	-54.27	357.62	2.98	-51.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020263821	1	42	-1.0	-54.32	357.67	2.99	-51.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCC)C1	REAL300020263822	0	44	-1.0	-40.95	364.54	5.96	-34.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCC)C1	REAL300020263822	1	44	-1.0	-40.95	364.60	5.97	-34.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCC)C1	REAL300020263823	0	41	-1.0	-43.82	343.17	5.29	-38.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCC)C1	REAL300020263823	1	41	-1.0	-43.82	343.11	5.27	-38.55
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OCC)C1	REAL300020263824	0	48	-1.0	-42.02	375.92	7.21	-34.81
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OCC)C1	REAL300020263824	1	48	-1.0	-41.99	375.97	7.20	-34.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020263825	0	44	-1.0	-39.79	387.46	6.90	-32.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020263825	1	44	-1.0	-39.78	387.52	6.92	-32.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020263826	0	41	-1.0	-43.18	355.31	6.04	-37.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020263826	1	41	-1.0	-43.24	355.37	6.06	-37.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020263827	0	48	-1.0	-40.83	397.88	8.02	-32.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020263827	1	48	-1.0	-40.85	397.94	8.04	-32.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020263828	0	45	-1.0	-48.04	368.24	6.51	-41.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020263828	1	45	-1.0	-48.06	368.18	6.49	-41.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020263829	0	54	-1.0	-44.83	426.98	5.51	-39.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020263829	1	54	-1.0	-44.83	427.04	5.54	-39.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2=CC=CC(OC)=C2)C1	REAL300020263830	0	51	-1.0	-43.29	415.42	8.77	-34.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2=CC=CC(OC)=C2)C1	REAL300020263830	1	51	-1.0	-43.32	415.48	8.79	-34.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2=CC=CC(OC)=C2)C1	REAL300020263831	0	48	-1.0	-43.86	393.91	7.99	-35.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2=CC=CC(OC)=C2)C1	REAL300020263831	1	48	-1.0	-43.83	393.97	8.01	-35.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC(=O)NC	REAL300020263832	0	46	-1.0	-51.45	370.19	3.55	-47.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC(=O)NC	REAL300020263832	1	46	-1.0	-51.46	370.25	3.57	-47.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC(=O)NC	REAL300020263833	0	43	-1.0	-54.47	353.97	3.10	-51.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC(=O)NC	REAL300020263833	1	43	-1.0	-54.51	353.92	3.07	-51.44
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCC(=O)NC	REAL300020263834	0	50	-1.0	-52.64	402.80	5.69	-46.95
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCC(=O)NC	REAL300020263834	1	50	-1.0	-52.60	402.83	5.69	-46.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020263835	0	53	-1.0	-40.01	424.58	8.27	-31.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020263835	1	53	-1.0	-40.02	424.64	8.29	-31.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020263836	0	50	-1.0	-44.37	396.09	7.54	-36.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020263836	1	50	-1.0	-44.36	396.03	7.51	-36.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=C(CCC3)S2)CC1	REAL300020263837	0	50	-1.0	-42.89	414.92	8.71	-34.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=C(CCC3)S2)CC1	REAL300020263837	1	50	-1.0	-42.86	414.97	8.74	-34.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020263838	0	47	-1.0	-42.37	379.68	8.63	-33.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020263838	1	47	-1.0	-42.35	379.74	8.65	-33.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020263839	0	44	-1.0	-42.77	354.37	7.96	-34.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020263839	1	44	-1.0	-42.75	354.42	7.99	-34.76
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020263840	0	51	-1.0	-42.80	406.00	10.85	-31.95
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020263840	1	51	-1.0	-42.82	406.05	10.84	-31.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020263841	0	41	-1.0	-41.24	348.39	7.00	-34.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020263841	1	41	-1.0	-41.25	348.44	7.02	-34.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020263842	0	38	-1.0	-43.98	325.89	6.20	-37.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020263842	1	38	-1.0	-44.03	325.83	6.17	-37.86
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020263843	0	45	-1.0	-42.63	374.15	9.30	-33.33
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020263843	1	45	-1.0	-42.58	374.18	9.29	-33.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020263844	0	56	-1.0	-39.73	441.60	11.27	-28.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020263844	1	56	-1.0	-39.73	441.65	11.28	-28.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020263845	0	53	-1.0	-42.69	417.12	10.80	-31.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020263845	1	53	-1.0	-42.75	417.16	10.82	-31.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020263846	0	51	-1.0	-42.05	409.72	9.09	-32.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020263846	1	51	-1.0	-42.06	409.78	9.10	-32.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020263847	0	48	-1.0	-46.35	369.44	7.11	-39.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020263847	1	48	-1.0	-46.38	369.39	7.09	-39.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020263848	0	44	-1.0	-42.94	366.09	8.96	-33.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020263848	1	44	-1.0	-42.93	366.14	8.98	-33.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020263849	0	41	-1.0	-44.73	346.42	8.23	-36.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020263849	1	41	-1.0	-44.72	346.37	8.20	-36.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020263850	0	52	-1.0	-41.19	411.08	6.66	-34.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020263850	1	52	-1.0	-41.23	411.13	6.67	-34.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020263851	0	49	-1.0	-43.76	385.64	5.96	-37.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020263851	1	49	-1.0	-43.78	385.68	5.97	-37.81
C#CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020263852	0	44	-1.0	-42.74	362.93	7.72	-35.02
C#CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020263852	1	44	-1.0	-42.74	362.99	7.74	-35.00
C#CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020263853	0	41	-1.0	-43.98	344.92	7.19	-36.79
C#CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020263853	1	41	-1.0	-44.02	344.86	7.16	-36.86
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020263854	0	48	-1.0	-43.97	394.76	9.83	-34.14
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020263854	1	48	-1.0	-43.87	394.78	9.83	-34.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020263855	0	49	-1.0	-41.40	401.18	9.52	-31.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020263855	1	49	-1.0	-41.45	401.23	9.53	-31.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020263856	0	46	-1.0	-44.13	385.63	8.57	-35.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020263856	1	46	-1.0	-44.11	385.57	8.55	-35.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020263857	0	49	-1.0	-41.40	401.18	9.52	-31.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020263857	1	49	-1.0	-41.45	401.23	9.53	-31.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020263858	0	46	-1.0	-44.13	385.63	8.57	-35.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020263858	1	46	-1.0	-44.11	385.57	8.55	-35.56
C=CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020263859	0	47	-1.0	-40.76	371.39	8.09	-32.67
C=CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020263859	1	47	-1.0	-40.72	371.45	8.10	-32.62
C=CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020263860	0	44	-1.0	-42.95	352.47	7.39	-35.56
C=CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020263860	1	44	-1.0	-42.99	352.42	7.37	-35.62
C=CCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020263861	0	51	-1.0	-42.35	400.14	10.07	-32.28
C=CCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020263861	1	51	-1.0	-42.37	400.17	10.06	-32.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020263862	0	55	-1.0	-41.97	442.84	9.96	-32.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020263862	1	55	-1.0	-41.95	442.78	9.94	-32.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020263863	0	52	-1.0	-44.01	419.04	9.27	-34.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020263863	1	52	-1.0	-44.01	419.09	9.30	-34.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020263864	0	44	-1.0	-41.52	331.45	6.36	-35.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020263864	1	44	-1.0	-41.56	331.49	6.37	-35.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020263865	0	41	-1.0	-43.97	307.26	5.88	-38.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020263865	1	41	-1.0	-43.96	307.21	5.85	-38.11
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020263866	0	48	-1.0	-43.97	359.91	8.27	-35.70
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020263866	1	48	-1.0	-43.94	359.94	8.26	-35.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020263867	0	51	-1.0	-46.54	399.54	5.52	-41.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020263867	1	51	-1.0	-46.49	399.59	5.53	-40.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020263868	0	48	-1.0	-47.03	384.30	4.81	-42.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020263868	1	48	-1.0	-47.02	384.34	4.83	-42.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020263869	0	45	-1.0	-43.50	378.35	8.35	-35.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020263869	1	45	-1.0	-43.48	378.41	8.36	-35.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020263870	0	42	-1.0	-46.03	355.75	7.47	-38.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020263870	1	42	-1.0	-46.07	355.69	7.44	-38.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020263871	0	48	-1.0	-48.14	401.34	5.58	-42.56
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020263871	1	48	-1.0	-48.14	401.40	5.59	-42.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020263872	0	45	-1.0	-52.62	369.45	3.85	-48.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020263872	1	45	-1.0	-52.63	369.39	3.82	-48.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OCC)CC1	REAL300020263873	0	53	-1.0	-45.28	438.47	9.19	-36.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OCC)CC1	REAL300020263873	1	53	-1.0	-45.24	438.52	9.21	-36.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OCC)CC1	REAL300020263874	0	50	-1.0	-46.86	414.63	8.51	-38.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OCC)CC1	REAL300020263874	1	50	-1.0	-46.87	414.68	8.53	-38.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020263875	0	47	-1.0	-41.46	365.90	8.22	-33.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020263875	1	47	-1.0	-41.51	365.95	8.24	-33.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020263876	0	44	-1.0	-41.04	351.44	7.83	-33.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020263876	1	44	-1.0	-41.01	351.40	7.80	-33.21
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020263877	0	51	-1.0	-42.63	394.65	10.35	-32.28
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020263877	1	51	-1.0	-42.62	394.67	10.34	-32.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020263878	0	47	-1.0	-47.73	383.31	4.42	-43.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020263878	1	47	-1.0	-47.71	383.37	4.43	-43.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020263879	0	44	-1.0	-48.64	361.80	3.63	-45.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020263879	1	44	-1.0	-48.68	361.86	3.66	-45.02
C#CCN(CCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020263880	0	39	-1.0	-45.24	332.89	2.75	-42.49
C#CCN(CCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020263880	1	39	-1.0	-45.29	332.94	2.76	-42.53
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020263881	0	43	-1.0	-46.30	364.55	4.85	-41.45
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020263881	1	43	-1.0	-46.24	364.58	4.84	-41.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020263882	0	51	-1.0	-39.18	423.30	10.93	-28.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020263882	1	51	-1.0	-39.18	423.36	10.94	-28.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020263883	0	48	-1.0	-44.10	389.39	10.20	-33.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020263883	1	48	-1.0	-44.08	389.33	10.17	-33.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020263884	0	54	-1.0	-42.90	429.90	9.46	-33.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020263884	1	54	-1.0	-42.90	429.93	9.47	-33.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020263885	0	51	-1.0	-45.62	407.79	8.84	-36.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020263885	1	51	-1.0	-45.62	407.87	8.85	-36.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020263886	0	44	-1.0	-42.29	342.34	7.89	-34.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020263886	1	44	-1.0	-42.31	342.40	7.91	-34.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020263887	0	41	-1.0	-45.14	316.53	7.18	-37.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020263887	1	41	-1.0	-45.15	316.47	7.17	-37.98
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020263888	0	48	-1.0	-43.64	370.81	9.85	-33.79
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020263888	1	48	-1.0	-43.64	370.83	9.84	-33.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC	REAL300020263889	0	46	-1.0	-39.64	363.39	7.04	-32.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC	REAL300020263889	1	46	-1.0	-39.66	363.44	7.06	-32.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC	REAL300020263890	0	43	-1.0	-45.60	339.91	6.44	-39.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC	REAL300020263890	1	43	-1.0	-45.65	339.86	6.43	-39.22
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CCC	REAL300020263891	0	50	-1.0	-42.55	392.92	9.04	-33.51
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CCC	REAL300020263891	1	50	-1.0	-42.53	392.95	9.03	-33.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020263892	0	47	-1.0	-47.31	381.75	3.97	-43.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020263892	1	47	-1.0	-47.32	381.81	3.99	-43.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020263893	0	44	-1.0	-47.97	363.31	3.31	-44.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020263893	1	44	-1.0	-47.94	363.37	3.33	-44.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2(C(=O)OC)CCC2)C1	REAL300020263894	0	51	-1.0	-44.66	399.87	5.28	-39.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2(C(=O)OC)CCC2)C1	REAL300020263894	1	51	-1.0	-44.68	399.92	5.30	-39.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020263895	0	46	-1.0	-46.15	379.72	6.22	-39.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020263895	1	46	-1.0	-46.19	379.66	6.21	-39.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020263896	0	43	-1.0	-44.98	363.04	5.28	-39.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020263896	1	43	-1.0	-44.96	362.98	5.26	-39.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020263897	0	48	-1.0	-43.64	383.02	7.14	-36.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020263897	1	48	-1.0	-43.64	383.07	7.16	-36.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020263898	0	45	-1.0	-44.75	360.85	6.06	-38.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020263898	1	45	-1.0	-44.78	360.79	6.04	-38.74
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020263899	0	52	-1.0	-43.37	404.79	8.90	-34.47
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020263899	1	52	-1.0	-43.32	404.91	8.89	-34.43
C#CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)CC1	REAL300020263900	0	46	-1.0	-40.61	386.93	7.41	-33.20
C#CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)CC1	REAL300020263900	1	46	-1.0	-40.65	386.99	7.42	-33.23
C#CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)CC1	REAL300020263901	0	43	-1.0	-42.00	363.85	6.56	-35.44
C#CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)CC1	REAL300020263901	1	43	-1.0	-41.97	363.81	6.54	-35.43
C#CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)CC1	REAL300020263902	0	50	-1.0	-43.70	413.15	9.40	-34.30
C#CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)CC1	REAL300020263902	1	50	-1.0	-43.70	413.18	9.39	-34.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020263903	0	44	-1.0	-44.91	354.11	3.75	-41.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020263903	1	44	-1.0	-44.92	354.17	3.77	-41.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020263904	0	41	-1.0	-45.42	330.29	3.10	-42.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020263904	1	41	-1.0	-45.39	330.25	3.09	-42.30
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)CC1	REAL300020263905	0	48	-1.0	-46.40	380.78	6.12	-40.28
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)CC1	REAL300020263905	1	48	-1.0	-46.36	380.54	6.11	-40.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(C1)CCCCC2	REAL300020263906	0	53	-1.0	-47.39	413.63	8.42	-38.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(C1)CCCCC2	REAL300020263906	1	53	-1.0	-47.44	413.69	8.45	-38.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(N(C)C)=NO2)CC1	REAL300020263907	0	53	-1.0	-42.96	432.29	8.12	-34.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(N(C)C)=NO2)CC1	REAL300020263907	1	53	-1.0	-42.93	432.34	8.14	-34.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(N(C)C)=NO2)CC1	REAL300020263908	0	50	-1.0	-43.83	407.48	7.44	-36.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(N(C)C)=NO2)CC1	REAL300020263908	1	50	-1.0	-43.89	407.52	7.46	-36.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020263909	0	47	-1.0	-42.56	400.86	7.28	-35.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020263909	1	47	-1.0	-42.54	400.91	7.31	-35.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020263910	0	47	-1.0	-52.23	398.32	7.70	-44.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020263910	1	47	-1.0	-52.25	398.38	7.71	-44.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020263911	0	44	-1.0	-60.14	377.15	6.99	-53.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020263911	1	44	-1.0	-60.10	377.09	6.97	-53.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020263912	0	51	-1.0	-39.37	420.06	9.18	-30.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020263912	1	51	-1.0	-39.35	420.12	9.19	-30.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020263913	0	48	-1.0	-41.09	396.35	8.49	-32.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020263913	1	48	-1.0	-41.11	396.39	8.53	-32.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020263914	0	45	-1.0	-40.23	357.30	9.33	-30.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020263914	1	45	-1.0	-40.19	357.36	9.34	-30.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020263915	0	42	-1.0	-41.74	333.25	8.69	-33.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020263915	1	42	-1.0	-41.74	333.20	8.67	-33.07
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CSCC(C2)C1	REAL300020263916	0	49	-1.0	-42.64	383.65	11.32	-31.32
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CSCC(C2)C1	REAL300020263916	1	49	-1.0	-42.58	383.71	11.32	-31.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020263917	0	56	-1.0	-39.09	437.67	11.16	-27.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020263917	1	56	-1.0	-39.10	437.72	11.17	-27.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020263918	0	53	-1.0	-41.62	414.98	10.73	-30.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020263918	1	53	-1.0	-41.64	415.03	10.75	-30.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020263919	0	44	-1.0	-39.85	361.61	5.88	-33.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020263919	1	44	-1.0	-39.86	361.67	5.89	-33.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020263920	0	41	-1.0	-42.42	341.08	5.33	-37.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020263920	1	41	-1.0	-42.43	341.03	5.31	-37.12
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020263921	0	48	-1.0	-42.14	390.36	7.93	-34.21
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020263921	1	48	-1.0	-42.10	390.39	7.92	-34.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020263922	0	48	-1.0	-43.70	392.71	8.39	-35.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020263922	1	48	-1.0	-43.71	392.76	8.40	-35.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020263923	0	45	-1.0	-44.45	375.79	7.85	-36.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020263923	1	45	-1.0	-44.43	375.85	7.88	-36.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCNS2(=O)=O)CC1	REAL300020263924	0	48	-1.0	-50.82	398.29	1.65	-49.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCNS2(=O)=O)CC1	REAL300020263924	1	48	-1.0	-50.78	398.33	1.67	-49.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020263925	0	46	-1.0	-42.69	372.79	7.14	-35.55
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020263925	1	46	-1.0	-42.78	372.85	7.16	-35.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020263926	0	43	-1.0	-45.16	351.35	6.38	-38.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020263926	1	43	-1.0	-45.11	351.30	6.36	-38.75
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020263927	0	50	-1.0	-44.43	401.44	9.11	-35.32
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020263927	1	50	-1.0	-44.43	401.46	9.10	-35.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020263928	0	45	-1.0	-48.06	364.34	9.77	-38.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020263928	1	45	-1.0	-48.07	364.40	9.78	-38.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020263929	0	42	-1.0	-54.60	337.28	9.04	-45.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020263929	1	42	-1.0	-54.55	337.22	9.02	-45.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020263930	0	52	0.0	-60.38	391.57	8.43	-51.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020263930	1	52	0.0	-60.12	392.16	8.22	-51.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020263930	1	52	0.0	-60.34	391.63	8.45	-51.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020263930	1	52	0.0	-60.11	392.21	8.23	-51.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020263931	0	49	0.0	-59.37	372.46	7.51	-51.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020263931	1	49	0.0	-60.29	372.65	7.51	-52.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020263931	1	49	0.0	-59.36	372.40	7.48	-51.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020263931	1	49	0.0	-60.27	372.59	7.48	-52.79
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020263932	0	56	0.0	-68.37	417.69	10.42	-57.95
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020263932	1	56	0.0	-66.97	421.26	10.41	-56.56
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020263932	1	56	0.0	-68.31	417.73	10.41	-57.90
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020263932	1	56	0.0	-66.94	421.31	10.40	-56.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020263933	0	51	-1.0	-46.22	404.28	8.78	-37.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020263933	1	51	-1.0	-46.20	404.34	8.79	-37.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020263934	0	48	-1.0	-50.90	382.94	8.03	-42.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020263934	1	48	-1.0	-50.92	382.99	8.05	-42.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020263935	0	41	-1.0	-40.33	341.55	7.25	-33.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020263935	1	41	-1.0	-40.38	341.61	7.27	-33.11
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020263936	0	45	-1.0	-42.50	364.94	9.17	-33.33
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020263936	1	45	-1.0	-42.53	364.97	9.16	-33.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020263937	0	50	-1.0	-44.18	401.38	10.06	-34.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020263937	1	50	-1.0	-44.16	401.43	10.07	-34.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020263938	0	47	-1.0	-48.59	375.50	9.35	-39.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020263938	1	47	-1.0	-48.61	375.56	9.36	-39.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC(C)(C)C)C1	REAL300020263939	0	55	-1.0	-48.08	428.59	9.40	-38.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC(C)(C)C)C1	REAL300020263939	1	55	-1.0	-48.07	428.64	9.42	-38.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020263940	0	50	-1.0	-39.23	380.32	9.07	-30.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020263940	1	50	-1.0	-39.27	380.37	9.08	-30.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020263941	0	47	-1.0	-41.76	357.97	8.28	-33.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020263941	1	47	-1.0	-41.78	357.92	8.25	-33.53
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020263942	0	54	-1.0	-43.13	394.32	10.86	-32.27
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020263942	1	54	-1.0	-43.10	394.33	10.85	-32.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020263943	0	44	-1.0	-45.69	359.98	6.13	-39.56
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020263943	1	44	-1.0	-45.72	360.03	6.14	-39.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020263944	0	41	-1.0	-44.68	335.94	5.65	-39.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020263944	1	41	-1.0	-44.69	335.88	5.63	-39.06
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020263945	0	48	-1.0	-44.45	385.70	8.40	-36.05
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020263945	1	48	-1.0	-44.42	385.73	8.39	-36.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)OC3=CC=CC=C32)C1	REAL300020263946	0	47	-1.0	-59.98	392.31	8.19	-51.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)OC3=CC=CC=C32)C1	REAL300020263946	1	47	-1.0	-59.99	392.37	8.22	-51.77
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC=C)C1CCOCC1	REAL300020263947	0	49	-1.0	-40.09	388.46	7.52	-32.57
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC=C)C1CCOCC1	REAL300020263947	1	49	-1.0	-40.10	388.52	7.53	-32.57
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC=C)C1CCOCC1	REAL300020263948	0	46	-1.0	-46.57	372.60	5.95	-40.62
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC=C)C1CCOCC1	REAL300020263948	1	46	-1.0	-46.57	372.56	5.92	-40.65
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC=C)C1CCCC1	REAL300020263949	0	48	-1.0	-42.22	383.05	8.23	-33.99
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC=C)C1CCCC1	REAL300020263949	1	48	-1.0	-42.26	383.11	8.25	-34.01
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC=C)C1CCCC1	REAL300020263950	0	45	-1.0	-44.18	365.19	7.71	-36.47
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC=C)C1CCCC1	REAL300020263950	1	45	-1.0	-44.24	365.13	7.69	-36.55
C#CCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C)C1CCCC1	REAL300020263951	0	52	-1.0	-42.82	408.95	11.12	-31.70
C#CCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C)C1CCCC1	REAL300020263951	1	52	-1.0	-42.80	408.98	11.11	-31.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020263952	0	51	-1.0	-42.16	418.76	8.06	-34.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020263952	1	51	-1.0	-42.19	418.81	8.08	-34.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020263953	0	48	-1.0	-44.23	395.02	7.39	-36.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020263953	1	48	-1.0	-44.28	395.07	7.41	-36.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1	REAL300020263954	0	51	-1.0	-39.82	404.87	5.96	-33.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1	REAL300020263954	1	51	-1.0	-39.87	404.93	5.98	-33.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1	REAL300020263955	0	48	-1.0	-41.99	383.52	5.42	-36.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1	REAL300020263955	1	48	-1.0	-42.01	383.58	5.45	-36.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020263956	0	41	-1.0	-41.14	355.45	8.37	-32.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020263956	1	41	-1.0	-41.12	355.51	8.39	-32.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020263957	0	38	-1.0	-42.16	342.81	7.36	-34.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020263957	1	38	-1.0	-42.13	342.75	7.34	-34.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020263958	0	44	-1.0	-50.18	362.39	3.67	-46.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020263958	1	44	-1.0	-50.16	362.44	3.69	-46.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020263959	0	41	-1.0	-51.95	340.89	2.89	-49.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020263959	1	41	-1.0	-51.98	340.95	2.91	-49.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020263960	0	44	-1.0	-41.31	356.12	7.82	-33.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020263960	1	44	-1.0	-41.35	356.17	7.83	-33.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020263961	0	41	-1.0	-44.44	335.60	6.92	-37.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020263961	1	41	-1.0	-44.43	335.66	6.94	-37.49
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020263962	0	48	-1.0	-44.64	383.54	9.63	-35.01
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020263962	1	48	-1.0	-44.64	383.57	9.60	-35.04
C=CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020263963	0	46	-1.0	-40.98	366.52	7.36	-33.62
C=CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020263963	1	46	-1.0	-40.98	366.58	7.38	-33.60
C=CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020263964	0	43	-1.0	-43.29	350.20	6.91	-36.38
C=CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020263964	1	43	-1.0	-43.29	350.14	6.89	-36.40
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020263965	0	50	-1.0	-42.25	399.10	9.51	-32.74
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020263965	1	50	-1.0	-42.23	399.14	9.51	-32.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020263966	0	45	-1.0	-40.06	363.28	7.71	-32.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020263966	1	45	-1.0	-40.08	363.34	7.73	-32.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020263967	0	42	-1.0	-43.88	340.53	6.85	-37.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020263967	1	42	-1.0	-43.85	340.47	6.83	-37.02
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020263968	0	49	-1.0	-41.87	393.46	9.67	-32.20
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020263968	1	49	-1.0	-41.77	393.48	9.65	-32.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020263969	0	56	-1.0	-39.25	438.29	11.41	-27.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020263969	1	56	-1.0	-39.28	438.35	11.43	-27.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020263970	0	53	-1.0	-40.76	414.17	10.87	-29.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020263970	1	53	-1.0	-40.75	414.22	10.89	-29.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020263971	0	56	-1.0	-39.14	447.21	11.45	-27.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020263971	1	56	-1.0	-39.11	447.26	11.47	-27.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020263972	0	53	-1.0	-41.10	423.48	10.78	-30.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020263972	1	53	-1.0	-41.07	423.52	10.80	-30.27
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020263973	0	43	-1.0	-43.86	357.28	9.21	-34.65
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020263973	1	43	-1.0	-43.82	357.32	9.21	-34.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020263974	0	48	-1.0	-42.15	405.75	7.87	-34.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020263974	1	48	-1.0	-42.14	405.81	7.89	-34.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020263975	0	45	-1.0	-42.87	388.11	7.22	-35.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020263975	1	45	-1.0	-42.89	388.17	7.25	-35.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020263976	0	47	-1.0	-47.07	396.22	5.77	-41.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020263976	1	47	-1.0	-47.11	396.28	5.79	-41.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020263977	0	44	-1.0	-44.17	380.86	5.60	-38.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020263977	1	44	-1.0	-44.20	380.80	5.58	-38.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020263978	0	47	-1.0	-40.55	374.83	8.79	-31.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020263978	1	47	-1.0	-40.54	374.88	8.80	-31.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020263979	0	44	-1.0	-45.40	351.13	7.89	-37.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020263979	1	44	-1.0	-45.39	351.07	7.86	-37.53
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020263980	0	51	-1.0	-42.70	403.94	9.76	-32.94
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020263980	1	51	-1.0	-42.61	403.98	9.75	-32.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020263981	0	51	-1.0	-40.81	393.76	6.32	-34.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020263981	1	51	-1.0	-40.82	393.82	6.33	-34.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020263982	0	48	-1.0	-43.10	372.40	5.54	-37.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020263982	1	48	-1.0	-43.09	372.35	5.51	-37.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020263983	0	50	-1.0	-43.69	424.39	9.47	-34.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020263983	1	50	-1.0	-43.68	424.45	9.49	-34.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020263984	0	47	-1.0	-48.62	403.19	8.72	-39.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020263984	1	47	-1.0	-48.62	403.11	8.70	-39.92
C#CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020263985	0	42	-1.0	-40.24	352.77	7.17	-33.07
C#CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020263985	1	42	-1.0	-40.23	352.82	7.18	-33.05
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020263986	0	46	-1.0	-43.56	382.18	9.39	-34.17
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020263986	1	46	-1.0	-43.55	382.21	9.39	-34.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(OCC)C=C1	REAL300020263987	0	53	-1.0	-41.74	438.24	9.43	-32.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(OCC)C=C1	REAL300020263987	1	53	-1.0	-41.71	438.30	9.45	-32.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(OCC)C=C1	REAL300020263988	0	50	-1.0	-44.62	416.49	8.64	-35.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(OCC)C=C1	REAL300020263988	1	50	-1.0	-44.64	416.55	8.67	-35.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2C)CC1	REAL300020263989	0	49	-1.0	-41.55	413.76	8.66	-32.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2C)CC1	REAL300020263989	1	49	-1.0	-41.51	413.81	8.68	-32.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020263990	0	50	-1.0	-43.28	423.86	5.14	-38.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020263990	1	50	-1.0	-43.26	423.91	5.16	-38.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020263991	0	47	-1.0	-44.30	402.34	4.36	-39.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020263991	1	47	-1.0	-44.36	402.40	4.38	-39.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020263992	0	54	-1.0	-40.77	401.87	7.39	-33.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020263992	1	54	-1.0	-40.80	401.93	7.40	-33.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020263993	0	51	-1.0	-43.33	380.37	6.60	-36.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020263993	1	51	-1.0	-43.34	380.42	6.63	-36.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020263994	0	49	-1.0	-39.68	399.94	5.26	-34.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020263994	1	49	-1.0	-39.69	399.99	5.27	-34.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020263995	0	46	-1.0	-41.30	376.20	4.58	-36.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020263995	1	46	-1.0	-41.33	376.25	4.61	-36.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2C)CC1	REAL300020263996	0	54	-1.0	-39.31	438.09	11.50	-27.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2C)CC1	REAL300020263996	1	54	-1.0	-39.39	438.15	11.51	-27.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2C)CC1	REAL300020263997	0	51	-1.0	-41.40	412.73	10.82	-30.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2C)CC1	REAL300020263997	1	51	-1.0	-41.38	412.69	10.81	-30.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCCC)CC1	REAL300020263998	0	51	-1.0	-42.25	418.70	7.10	-35.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCCC)CC1	REAL300020263998	1	51	-1.0	-42.26	418.76	7.10	-35.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCCC)CC1	REAL300020263999	0	48	-1.0	-44.66	398.75	6.34	-38.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCCC)CC1	REAL300020263999	1	48	-1.0	-44.68	398.80	6.35	-38.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020264000	0	47	-1.0	-39.83	399.55	6.96	-32.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020264000	1	47	-1.0	-39.79	399.60	6.97	-32.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020264001	0	44	-1.0	-42.12	375.81	6.28	-35.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020264001	1	44	-1.0	-42.12	375.86	6.31	-35.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020264002	0	44	-1.0	-44.14	364.00	4.25	-39.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020264002	1	44	-1.0	-44.08	364.06	4.27	-39.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020264003	0	41	-1.0	-46.02	338.57	3.40	-42.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020264003	1	41	-1.0	-46.01	338.52	3.38	-42.63
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020264004	0	48	-1.0	-46.27	395.37	6.18	-40.09
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020264004	1	48	-1.0	-46.24	395.34	6.15	-40.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020264005	0	44	-1.0	-42.30	384.54	5.88	-36.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020264005	1	44	-1.0	-42.26	384.59	5.90	-36.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020264006	0	41	-1.0	-47.86	358.49	5.16	-42.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020264006	1	41	-1.0	-47.86	358.54	5.17	-42.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020264007	0	46	-1.0	-40.28	390.88	7.29	-32.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020264007	1	46	-1.0	-40.30	390.94	7.30	-33.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020264008	0	43	-1.0	-42.30	367.15	6.61	-35.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020264008	1	43	-1.0	-42.32	367.20	6.64	-35.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020264009	0	47	-1.0	-45.94	376.58	11.88	-34.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020264009	1	47	-1.0	-45.97	376.64	11.90	-34.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020264010	0	44	-1.0	-49.87	349.82	11.14	-38.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020264010	1	44	-1.0	-49.88	349.76	11.12	-38.76
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020264011	0	51	-1.0	-45.43	406.56	13.83	-31.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020264011	1	51	-1.0	-45.40	406.57	13.82	-31.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC(C(=O)OC)=CC=C2C1	REAL300020264012	0	48	-1.0	-43.84	408.58	7.45	-36.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC(C(=O)OC)=CC=C2C1	REAL300020264012	1	48	-1.0	-43.85	408.52	7.43	-36.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020264013	0	44	-1.0	-40.10	344.40	7.51	-32.59
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020264013	1	44	-1.0	-40.09	344.46	7.52	-32.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020264014	0	41	-1.0	-42.68	319.45	6.98	-35.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020264014	1	41	-1.0	-42.67	319.40	6.97	-35.70
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020264015	0	48	-1.0	-43.03	370.36	9.43	-33.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020264015	1	48	-1.0	-42.94	370.39	9.41	-33.53
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(=C)C1	REAL300020264016	0	42	-1.0	-43.50	335.33	7.70	-35.80
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(=C)C1	REAL300020264016	1	42	-1.0	-43.42	335.37	7.69	-35.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)CC(F)(F)F)CC1	REAL300020264017	0	51	-1.0	-40.23	409.34	6.74	-33.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)CC(F)(F)F)CC1	REAL300020264017	1	51	-1.0	-40.30	409.40	6.75	-33.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)CC(F)(F)F)CC1	REAL300020264018	0	48	-1.0	-42.93	385.65	6.17	-36.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)CC(F)(F)F)CC1	REAL300020264018	1	48	-1.0	-42.96	385.70	6.20	-36.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020264019	0	46	-1.0	-45.66	378.42	1.32	-44.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020264019	1	46	-1.0	-45.67	378.47	1.33	-44.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020264020	0	43	-1.0	-48.86	355.47	0.42	-48.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020264020	1	43	-1.0	-48.87	355.41	0.40	-48.47
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020264021	0	50	-1.0	-46.67	407.30	3.27	-43.40
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020264021	1	50	-1.0	-46.70	407.35	3.26	-43.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(C1)CCOCC2	REAL300020264022	0	51	-1.0	-45.50	394.71	6.17	-39.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(C1)CCOCC2	REAL300020264022	1	51	-1.0	-45.52	394.75	6.19	-39.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020264023	0	46	-1.0	-39.49	362.43	6.16	-33.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020264023	1	46	-1.0	-39.51	362.48	6.18	-33.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020264024	0	43	-1.0	-43.64	332.31	5.29	-38.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020264024	1	43	-1.0	-43.61	332.25	5.27	-38.34
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020264025	0	50	-1.0	-43.26	390.15	8.09	-35.17
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020264025	1	50	-1.0	-43.22	390.19	8.07	-35.15
C=CCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264026	0	43	-1.0	-40.80	353.00	7.42	-33.38
C=CCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264026	1	43	-1.0	-40.78	353.06	7.44	-33.34
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020264027	0	47	-1.0	-42.00	388.22	9.11	-32.89
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020264027	1	47	-1.0	-41.95	388.26	9.11	-32.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020264028	0	56	0.0	-64.96	434.95	10.73	-54.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020264028	1	56	0.0	-66.36	441.45	10.62	-55.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020264028	1	55	-1.0	-40.12	436.72	8.61	-31.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020264028	1	55	-1.0	-40.16	436.77	8.63	-31.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020264029	0	53	0.0	-66.85	409.98	10.19	-56.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020264029	1	53	0.0	-66.16	416.94	9.86	-56.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020264029	1	52	-1.0	-42.83	415.63	7.82	-35.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020264029	1	52	-1.0	-42.85	415.69	7.84	-35.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020264030	0	41	-1.0	-40.86	357.19	5.62	-35.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020264030	1	41	-1.0	-40.88	357.25	5.64	-35.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020264031	0	38	-1.0	-41.18	329.02	4.81	-36.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020264031	1	38	-1.0	-41.21	329.06	4.82	-36.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020264032	0	41	-1.0	-41.81	355.67	5.34	-36.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020264032	1	41	-1.0	-41.80	355.73	5.35	-36.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020264033	0	38	-1.0	-42.88	322.82	4.15	-38.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020264033	1	38	-1.0	-42.86	322.88	4.18	-38.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020264034	0	43	-1.0	-42.83	368.37	6.06	-36.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020264034	1	43	-1.0	-42.83	368.43	6.08	-36.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020264035	0	40	-1.0	-47.43	347.16	5.32	-42.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020264035	1	40	-1.0	-47.39	347.10	5.29	-42.10
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020264036	0	47	-1.0	-45.12	391.47	8.35	-36.77
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020264036	1	47	-1.0	-45.10	391.52	8.35	-36.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)(C(=O)OCC)CC1	REAL300020264037	0	53	-1.0	-48.92	427.80	7.77	-41.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)(C(=O)OCC)CC1	REAL300020264037	1	53	-1.0	-48.92	427.86	7.79	-41.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020264038	0	44	-1.0	-42.89	374.46	6.23	-36.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020264038	1	44	-1.0	-42.90	374.52	6.25	-36.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020264039	0	41	-1.0	-44.82	339.08	4.79	-40.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020264039	1	41	-1.0	-44.81	339.02	4.76	-40.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020264040	0	48	-1.0	-41.84	393.06	9.18	-32.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020264040	1	48	-1.0	-41.86	393.12	9.19	-32.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020264041	0	45	-1.0	-44.74	376.57	8.44	-36.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020264041	1	45	-1.0	-44.72	376.52	8.41	-36.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020264042	0	45	-1.0	-45.10	373.07	9.10	-36.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020264042	1	45	-1.0	-45.08	373.12	9.11	-35.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020264043	0	42	-1.0	-47.06	353.40	8.36	-38.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020264043	1	42	-1.0	-47.13	353.34	8.34	-38.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020264044	0	46	-1.0	-47.34	363.33	7.29	-40.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020264044	1	46	-1.0	-47.35	363.39	7.30	-40.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020264045	0	43	-1.0	-51.81	337.00	6.92	-44.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020264045	1	43	-1.0	-51.82	336.96	6.91	-44.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020264046	0	50	-1.0	-49.17	384.50	9.38	-39.79
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020264046	1	50	-1.0	-49.19	384.54	9.36	-39.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2OC)CC1	REAL300020264047	0	53	-1.0	-45.47	418.97	7.73	-37.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2OC)CC1	REAL300020264047	1	53	-1.0	-45.49	419.03	7.75	-37.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020264048	0	44	-1.0	-40.29	340.26	5.50	-34.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020264048	1	44	-1.0	-40.27	340.32	5.51	-34.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020264049	0	41	-1.0	-42.72	335.11	4.11	-38.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020264049	1	41	-1.0	-42.70	335.05	4.08	-38.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300020264051	0	45	-1.0	-44.61	378.25	7.69	-36.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300020264051	1	45	-1.0	-44.63	378.31	7.72	-36.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020264052	0	46	-1.0	-43.91	364.68	4.96	-38.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020264052	1	46	-1.0	-43.93	364.74	4.97	-38.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020264053	0	43	-1.0	-46.16	340.47	4.02	-42.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020264053	1	43	-1.0	-46.14	340.42	4.00	-42.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CCC1C	REAL300020264055	0	43	-1.0	-39.90	358.35	7.18	-32.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CCC1C	REAL300020264055	1	43	-1.0	-39.90	358.41	7.20	-32.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020264061	0	47	-1.0	-50.62	381.45	4.43	-46.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020264061	1	47	-1.0	-50.67	381.51	4.44	-46.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020264062	0	44	-1.0	-49.38	351.83	3.57	-45.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020264062	1	44	-1.0	-49.40	351.88	3.59	-45.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020264063	0	50	-1.0	-40.08	396.63	9.42	-30.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020264063	1	50	-1.0	-40.10	396.68	9.44	-30.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020264064	0	47	-1.0	-43.39	374.91	8.83	-34.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020264064	1	47	-1.0	-43.40	374.82	8.82	-34.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020264065	0	56	0.0	-66.91	416.43	9.25	-57.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020264065	1	56	0.0	-66.85	416.49	9.27	-57.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020264066	0	53	0.0	-69.78	394.24	8.42	-61.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020264066	1	53	0.0	-69.77	394.29	8.45	-61.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C(C(=O)OC)C1	REAL300020264067	0	49	-1.0	-51.36	406.51	7.27	-44.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C(C(=O)OC)C1	REAL300020264067	1	49	-1.0	-51.36	406.57	7.28	-44.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C(C(=O)OC)C1	REAL300020264068	0	46	-1.0	-56.62	387.39	6.55	-50.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C(C(=O)OC)C1	REAL300020264068	1	46	-1.0	-56.65	387.45	6.57	-50.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020264069	0	50	-1.0	-42.99	386.05	9.97	-33.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020264069	1	50	-1.0	-43.05	386.10	9.99	-33.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020264070	0	47	-1.0	-43.01	371.05	9.35	-33.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020264070	1	47	-1.0	-43.00	370.99	9.32	-33.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOCCO)CCC1=CC=CC=C1	REAL300020264071	0	54	-1.0	-49.50	452.14	5.74	-43.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOCCO)CCC1=CC=CC=C1	REAL300020264071	1	54	-1.0	-49.11	452.09	5.76	-43.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020264072	0	49	-1.0	-47.41	401.64	8.61	-38.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020264072	1	49	-1.0	-47.40	401.69	8.63	-38.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020264073	0	46	-1.0	-48.47	383.96	7.98	-40.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020264073	1	46	-1.0	-48.47	383.90	7.96	-40.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020264074	0	47	-1.0	-38.87	363.62	6.59	-32.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020264074	1	47	-1.0	-38.86	363.68	6.60	-32.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020264075	0	44	-1.0	-41.70	342.53	5.83	-35.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020264075	1	44	-1.0	-41.74	342.47	5.81	-35.93
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020264076	0	51	-1.0	-41.20	384.94	8.75	-32.45
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020264076	1	51	-1.0	-41.22	385.00	8.75	-32.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020264077	0	45	-1.0	-42.38	354.23	5.70	-36.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020264077	1	45	-1.0	-42.40	354.29	5.71	-36.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020264078	0	42	-1.0	-41.89	334.84	5.19	-36.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020264078	1	42	-1.0	-41.86	334.79	5.16	-36.70
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020264079	0	49	-1.0	-43.08	379.51	7.64	-35.44
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020264079	1	49	-1.0	-43.02	379.56	7.62	-35.40
C=CCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264080	0	46	-1.0	-39.02	382.78	8.32	-30.70
C=CCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264080	1	46	-1.0	-39.01	382.83	8.33	-30.68
C=CCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020264081	0	43	-1.0	-42.12	361.09	7.54	-34.58
C=CCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020264081	1	43	-1.0	-42.10	361.03	7.52	-34.58
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020264082	0	50	-1.0	-41.65	411.25	10.28	-31.37
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020264082	1	50	-1.0	-41.65	411.29	10.27	-31.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020264083	0	53	-1.0	-41.40	435.08	9.30	-32.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020264083	1	53	-1.0	-41.41	435.13	9.32	-32.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020264084	0	50	-1.0	-43.41	416.21	8.62	-34.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020264084	1	50	-1.0	-43.41	416.27	8.65	-34.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020264085	0	60	0.0	-65.14	430.74	7.40	-57.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020264085	1	60	0.0	-64.96	428.65	7.28	-57.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020264085	1	60	0.0	-65.09	430.80	7.42	-57.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020264085	1	60	0.0	-64.91	428.70	7.29	-57.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020264086	0	57	0.0	-60.57	405.05	6.66	-53.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020264086	1	57	0.0	-60.81	404.91	6.60	-54.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020264086	1	57	0.0	-60.60	405.10	6.70	-53.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020264086	1	57	0.0	-60.84	404.95	6.63	-54.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020264087	0	40	-1.0	-41.80	342.03	6.87	-34.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020264087	1	40	-1.0	-41.83	342.09	6.89	-34.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020264088	0	37	-1.0	-42.53	325.24	6.28	-36.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020264088	1	37	-1.0	-42.55	325.19	6.26	-36.29
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020264089	0	44	-1.0	-43.34	373.85	8.94	-34.40
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020264089	1	44	-1.0	-43.33	373.88	8.92	-34.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC1OC	REAL300020264090	0	44	-1.0	-42.54	356.19	5.74	-36.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC1OC	REAL300020264090	1	44	-1.0	-42.53	356.26	5.75	-36.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC1OC	REAL300020264091	0	41	-1.0	-42.62	341.36	5.05	-37.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC1OC	REAL300020264091	1	41	-1.0	-42.61	341.32	5.03	-37.58
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1OC	REAL300020264092	0	48	-1.0	-44.00	390.43	7.91	-36.09
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC1OC	REAL300020264092	1	48	-1.0	-43.95	390.47	7.90	-36.05
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)C1	REAL300020264093	0	45	-1.0	-41.93	369.15	6.34	-35.59
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)C1	REAL300020264093	1	45	-1.0	-41.91	369.21	6.35	-35.56
C=CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)C1	REAL300020264094	0	42	-1.0	-44.81	347.71	5.58	-39.23
C=CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)C1	REAL300020264094	1	42	-1.0	-44.81	347.66	5.55	-39.26
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)C1	REAL300020264095	0	49	-1.0	-43.58	394.07	8.18	-35.40
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)C1	REAL300020264095	1	49	-1.0	-43.58	394.10	8.18	-35.40
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)CC1	REAL300020264096	0	45	-1.0	-40.81	373.31	8.70	-32.11
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)CC1	REAL300020264096	1	45	-1.0	-40.76	373.37	8.72	-32.04
C#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)CC1	REAL300020264097	0	42	-1.0	-42.82	350.23	7.85	-34.97
C#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)CC1	REAL300020264097	1	42	-1.0	-42.81	350.19	7.83	-34.98
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)CC1	REAL300020264098	0	49	-1.0	-43.63	403.18	10.69	-32.94
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)CC1	REAL300020264098	1	49	-1.0	-43.63	403.22	10.67	-32.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020264099	0	51	-1.0	-44.15	410.89	9.35	-34.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020264099	1	51	-1.0	-44.14	410.95	9.37	-34.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020264100	0	48	-1.0	-50.40	391.36	8.68	-41.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020264100	1	48	-1.0	-50.40	391.30	8.66	-41.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300020264101	0	44	-1.0	-41.32	374.13	8.83	-32.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300020264101	1	44	-1.0	-41.31	374.07	8.81	-32.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020264102	0	53	-1.0	-39.48	408.16	9.87	-29.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020264102	1	53	-1.0	-39.51	408.22	9.89	-29.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020264103	0	50	-1.0	-43.59	382.83	9.13	-34.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020264103	1	50	-1.0	-43.59	382.90	9.15	-34.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020264104	0	47	-1.0	-43.74	394.67	5.18	-38.56
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020264104	1	47	-1.0	-43.75	394.73	5.20	-38.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020264105	0	44	-1.0	-44.85	372.39	4.59	-40.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020264105	1	44	-1.0	-44.82	372.44	4.62	-40.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020264106	0	47	-1.0	-40.37	371.28	6.37	-34.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020264106	1	47	-1.0	-40.37	371.34	6.39	-33.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020264107	0	44	-1.0	-42.12	347.53	5.86	-36.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020264107	1	44	-1.0	-42.11	347.48	5.83	-36.28
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020264108	0	51	-1.0	-42.40	402.39	8.46	-33.94
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020264108	1	51	-1.0	-42.44	402.43	8.45	-33.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020264109	0	44	-1.0	-41.15	353.87	4.32	-36.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020264109	1	44	-1.0	-41.21	353.93	4.33	-36.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020264110	0	41	-1.0	-42.83	332.42	3.56	-39.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020264110	1	41	-1.0	-42.84	332.36	3.53	-39.31
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020264111	0	48	-1.0	-43.26	382.18	6.30	-36.96
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020264111	1	48	-1.0	-43.28	382.21	6.29	-36.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020264112	0	51	-1.0	-41.93	405.99	5.12	-36.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020264112	1	51	-1.0	-41.92	406.05	5.14	-36.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020264113	0	48	-1.0	-44.82	379.42	4.46	-40.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020264113	1	48	-1.0	-44.84	379.47	4.47	-40.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(=O)OC)CC1	REAL300020264114	0	53	-1.0	-42.35	436.61	7.70	-34.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(=O)OC)CC1	REAL300020264114	1	53	-1.0	-42.37	436.67	7.72	-34.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(=O)OC)CC1	REAL300020264115	0	50	-1.0	-44.06	412.79	7.04	-37.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(=O)OC)CC1	REAL300020264115	1	50	-1.0	-44.05	412.84	7.05	-37.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020264116	0	48	-1.0	-50.56	390.04	3.44	-47.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020264116	1	48	-1.0	-50.61	390.09	3.47	-47.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020264117	0	44	-1.0	-40.42	329.73	2.72	-37.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020264117	1	44	-1.0	-40.40	329.79	2.74	-37.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020264118	0	41	-1.0	-48.82	333.48	3.35	-45.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020264118	1	41	-1.0	-48.80	333.53	3.37	-45.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(C)C	REAL300020264119	0	48	-1.0	-38.70	387.53	8.27	-30.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(C)C	REAL300020264119	1	48	-1.0	-38.68	387.59	8.29	-30.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(C)C	REAL300020264120	0	45	-1.0	-41.73	365.85	7.48	-34.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(C)C	REAL300020264120	1	45	-1.0	-41.75	365.78	7.46	-34.29
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC(C)C	REAL300020264121	0	52	-1.0	-41.32	416.00	10.23	-31.09
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC(C)C	REAL300020264121	1	52	-1.0	-41.28	416.05	10.22	-31.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020264122	0	43	-1.0	-46.12	356.14	8.08	-38.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020264122	1	43	-1.0	-46.10	356.20	8.10	-38.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020264123	0	40	-1.0	-46.86	345.62	7.21	-39.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020264123	1	40	-1.0	-46.84	345.67	7.23	-39.61
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1C=CN=C1	REAL300020264124	0	47	-1.0	-48.55	390.32	10.07	-38.48
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1C=CN=C1	REAL300020264124	1	47	-1.0	-48.50	390.35	10.06	-38.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCN1CCOCC1	REAL300020264125	0	52	-1.0	-40.16	415.30	4.69	-35.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020264125	1	52	-1.0	-40.19	415.36	4.71	-35.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020264125	1	53	0.0	-67.61	406.61	7.05	-60.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCN1CCOCC1	REAL300020264126	0	49	-1.0	-43.10	393.57	3.90	-39.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020264126	1	49	-1.0	-43.11	393.62	3.92	-39.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020264126	1	50	0.0	-69.77	396.14	6.20	-63.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020264127	0	51	-1.0	-41.79	416.17	7.70	-34.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020264127	1	51	-1.0	-41.79	416.22	7.72	-34.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020264128	0	48	-1.0	-43.46	396.10	6.91	-36.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020264128	1	48	-1.0	-43.44	396.15	6.93	-36.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020264129	0	47	-1.0	-40.80	384.87	8.69	-32.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020264129	1	47	-1.0	-40.83	384.93	8.71	-32.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020264130	0	44	-1.0	-43.03	366.47	8.05	-34.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020264130	1	44	-1.0	-43.02	366.53	8.08	-34.94
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCSCC1	REAL300020264131	0	51	-1.0	-43.14	411.14	10.88	-32.26
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCSCC1	REAL300020264131	1	51	-1.0	-43.09	411.18	10.85	-32.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020264132	0	43	-1.0	-42.05	358.99	7.43	-34.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020264132	1	43	-1.0	-42.07	359.05	7.45	-34.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020264133	0	40	-1.0	-43.07	344.41	6.69	-36.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020264133	1	40	-1.0	-43.11	344.47	6.72	-36.39
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=CN1C	REAL300020264134	0	47	-1.0	-44.17	388.53	9.55	-34.62
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=CN1C	REAL300020264134	1	47	-1.0	-44.15	388.57	9.54	-34.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020264135	0	53	0.0	-68.07	404.50	7.99	-60.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020264135	1	53	0.0	-79.27	400.02	7.82	-71.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020264135	1	53	0.0	-68.15	404.54	8.01	-60.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020264135	1	53	0.0	-79.28	400.06	7.84	-71.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020264136	0	50	-1.0	-38.53	393.98	6.72	-31.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020264136	1	50	-1.0	-38.51	394.04	6.73	-31.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020264137	0	47	-1.0	-42.73	354.68	5.51	-37.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020264137	1	47	-1.0	-42.81	354.64	5.50	-37.31
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020264138	0	54	-1.0	-40.47	420.00	8.61	-31.86
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020264138	1	54	-1.0	-40.45	420.04	8.60	-31.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020264139	0	52	-1.0	-41.53	410.14	3.85	-37.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020264139	1	52	-1.0	-41.52	410.20	3.87	-37.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020264140	0	49	-1.0	-44.27	390.27	3.10	-41.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020264140	1	49	-1.0	-44.28	390.33	3.13	-41.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCOC)C1	REAL300020264141	0	50	-1.0	-43.47	385.32	6.51	-36.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCOC)C1	REAL300020264141	1	50	-1.0	-43.45	385.38	6.52	-36.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCOC)C1	REAL300020264142	0	47	-1.0	-44.37	378.53	6.41	-37.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCOC)C1	REAL300020264142	1	47	-1.0	-44.36	378.47	6.39	-37.97
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CCOC)C1	REAL300020264143	0	54	-1.0	-42.24	428.03	8.90	-33.34
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CCOC)C1	REAL300020264143	1	54	-1.0	-42.22	428.03	8.89	-33.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020264144	0	50	-1.0	-42.97	406.31	9.26	-33.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020264144	1	50	-1.0	-42.96	406.37	9.27	-33.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020264144	1	51	0.0	-64.72	409.81	9.79	-54.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020264145	0	47	-1.0	-44.47	382.58	8.58	-35.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020264145	1	47	-1.0	-44.48	382.63	8.61	-35.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020264145	1	48	0.0	-64.80	386.07	9.12	-55.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020264146	0	44	-1.0	-42.62	388.43	9.34	-33.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020264146	1	44	-1.0	-42.65	388.48	9.35	-33.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020264147	0	41	-1.0	-47.12	356.53	7.60	-39.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020264147	1	41	-1.0	-47.09	356.48	7.58	-39.51
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264148	0	45	-1.0	-41.03	360.33	6.85	-34.18
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264148	1	45	-1.0	-41.05	360.39	6.86	-34.19
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020264149	0	42	-1.0	-43.03	330.96	6.25	-36.78
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020264149	1	42	-1.0	-43.01	330.90	6.22	-36.79
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020264150	0	49	-1.0	-43.42	366.40	7.84	-35.58
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020264150	1	49	-1.0	-43.41	366.38	7.83	-35.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020264151	0	44	-1.0	-39.51	387.37	9.31	-30.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020264151	1	44	-1.0	-39.47	387.43	9.32	-30.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020264152	0	41	-1.0	-45.31	357.10	7.61	-37.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020264152	1	41	-1.0	-45.29	357.04	7.58	-37.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020264153	0	58	0.0	-59.54	424.49	9.13	-50.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020264153	1	58	0.0	-59.57	424.55	9.15	-50.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020264154	0	55	0.0	-62.77	409.74	7.73	-55.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020264154	1	55	0.0	-62.80	409.80	7.76	-55.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020264155	0	44	-1.0	-39.16	385.81	9.26	-29.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020264155	1	44	-1.0	-39.24	385.87	9.28	-29.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020264156	0	41	-1.0	-44.75	355.53	7.54	-37.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020264156	1	41	-1.0	-44.77	355.48	7.53	-37.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020264157	0	48	-1.0	-42.42	394.34	8.76	-33.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020264157	1	48	-1.0	-42.46	394.39	8.77	-33.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020264158	0	45	-1.0	-45.35	377.07	8.04	-37.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020264158	1	45	-1.0	-45.35	377.01	8.02	-37.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020264159	0	47	-1.0	-42.39	392.55	9.50	-32.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020264159	1	47	-1.0	-42.37	392.61	9.51	-32.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020264160	0	44	-1.0	-47.27	360.66	7.75	-39.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020264160	1	44	-1.0	-47.25	360.61	7.72	-39.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020264161	0	47	-1.0	-40.86	391.72	9.66	-31.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020264161	1	47	-1.0	-40.84	391.78	9.67	-31.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020264162	0	44	-1.0	-47.04	361.79	7.77	-39.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020264162	1	44	-1.0	-46.97	361.73	7.74	-39.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CN=CN2C(C)(C)C)C1	REAL300020264163	0	56	-1.0	-48.91	428.31	9.91	-39.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CN=CN2C(C)(C)C)C1	REAL300020264163	1	56	-1.0	-48.92	428.37	9.93	-38.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020264164	0	51	-1.0	-39.50	381.97	7.57	-31.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020264164	1	51	-1.0	-39.53	382.03	7.59	-31.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020264165	0	48	-1.0	-42.48	365.84	6.48	-36.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020264165	1	48	-1.0	-42.48	365.89	6.51	-35.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020264166	0	53	-1.0	-39.12	425.80	10.79	-28.33
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020264166	1	53	-1.0	-39.12	425.86	10.81	-28.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020264167	0	50	-1.0	-41.08	402.07	10.12	-30.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020264167	1	50	-1.0	-41.07	402.12	10.15	-30.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020264168	0	47	-1.0	-40.12	400.49	10.02	-30.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020264168	1	47	-1.0	-40.18	400.55	10.04	-30.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020264169	0	44	-1.0	-45.86	370.55	8.14	-37.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020264169	1	44	-1.0	-45.82	370.49	8.12	-37.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020264170	0	45	-1.0	-40.35	347.97	7.53	-32.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020264170	1	45	-1.0	-40.31	348.03	7.55	-32.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020264171	0	42	-1.0	-43.14	326.32	6.96	-36.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020264171	1	42	-1.0	-43.09	326.29	6.94	-36.15
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020264172	0	49	-1.0	-41.35	378.27	9.93	-31.42
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020264172	1	49	-1.0	-41.33	378.24	9.92	-31.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020264173	0	47	-1.0	-48.94	385.09	4.59	-44.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020264173	1	47	-1.0	-48.91	385.15	4.61	-44.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020264174	0	44	-1.0	-49.72	362.41	3.96	-45.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020264174	1	44	-1.0	-49.73	362.45	3.99	-45.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(COC2)C(F)(C(=O)OCC)C1	REAL300020264175	0	48	-1.0	-42.40	393.14	5.88	-36.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(COC2)C(F)(C(=O)OCC)C1	REAL300020264175	1	48	-1.0	-42.41	393.19	5.90	-36.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020264176	0	46	-1.0	-39.91	371.59	5.04	-34.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020264176	1	46	-1.0	-39.93	371.64	5.05	-34.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020264177	0	43	-1.0	-43.59	351.72	4.30	-39.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020264177	1	43	-1.0	-43.57	351.67	4.28	-39.29
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020264178	0	50	-1.0	-41.71	399.36	6.98	-34.73
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020264178	1	50	-1.0	-41.71	399.40	6.98	-34.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020264179	0	53	0.0	-71.26	428.19	10.33	-60.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020264179	1	53	0.0	-71.32	428.23	10.36	-60.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CC=C(F)C=C2)CC1	REAL300020264179	1	52	-1.0	-43.22	428.28	7.87	-35.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CC=C(F)C=C2)CC1	REAL300020264179	1	52	-1.0	-43.22	428.34	7.89	-35.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020264180	0	51	-1.0	-43.17	406.41	5.18	-37.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020264180	1	51	-1.0	-43.21	406.47	5.20	-38.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020264181	0	48	-1.0	-46.17	384.89	4.39	-41.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020264181	1	48	-1.0	-46.17	384.94	4.41	-41.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020264182	0	49	-1.0	-41.57	368.94	8.48	-33.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020264182	1	49	-1.0	-41.56	369.00	8.50	-33.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020264183	0	46	-1.0	-44.30	343.07	7.79	-36.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020264183	1	46	-1.0	-44.27	343.01	7.77	-36.50
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020264184	0	53	-1.0	-41.29	401.91	9.99	-31.30
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020264184	1	53	-1.0	-41.23	401.92	9.97	-31.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020264185	0	48	-1.0	-39.76	390.74	6.78	-32.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020264185	1	48	-1.0	-39.81	390.79	6.79	-33.02
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020264186	0	45	-1.0	-42.91	365.56	6.14	-36.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020264186	1	45	-1.0	-42.93	365.62	6.16	-36.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020264187	0	45	-1.0	-40.56	363.98	6.17	-34.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020264187	1	45	-1.0	-40.53	364.03	6.19	-34.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020264188	0	42	-1.0	-43.77	345.16	5.48	-38.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020264188	1	42	-1.0	-43.78	345.10	5.46	-38.32
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020264189	0	49	-1.0	-42.26	395.97	8.24	-34.02
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020264189	1	49	-1.0	-42.32	396.02	8.23	-34.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020264190	0	51	-1.0	-50.65	394.13	6.70	-43.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020264190	1	51	-1.0	-50.66	394.19	6.72	-43.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020264191	0	48	-1.0	-50.90	376.46	5.88	-45.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020264191	1	48	-1.0	-50.93	376.52	5.90	-45.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020264192	0	50	-1.0	-49.45	395.54	6.79	-42.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020264192	1	50	-1.0	-49.42	395.60	6.80	-42.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020264193	0	47	-1.0	-52.53	373.52	6.35	-46.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020264193	1	47	-1.0	-52.56	373.47	6.33	-46.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020264194	0	44	-1.0	-47.70	354.42	6.54	-41.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020264194	1	44	-1.0	-47.67	354.48	6.56	-41.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020264195	0	41	-1.0	-51.08	332.55	6.10	-44.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020264195	1	41	-1.0	-51.05	332.51	6.09	-44.96
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020264196	0	48	-1.0	-50.50	381.57	8.44	-42.06
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020264196	1	48	-1.0	-50.50	381.60	8.44	-42.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020264197	0	50	-1.0	-47.53	389.10	6.75	-40.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020264197	1	50	-1.0	-47.56	389.16	6.76	-40.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020264198	0	47	-1.0	-49.73	374.88	6.47	-43.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020264198	1	47	-1.0	-49.76	374.82	6.44	-43.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020264199	0	44	-1.0	-42.59	368.68	7.21	-35.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020264199	1	44	-1.0	-42.56	368.73	7.22	-35.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020264200	0	41	-1.0	-48.84	339.55	6.40	-42.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020264200	1	41	-1.0	-48.85	339.61	6.43	-42.42
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020264201	0	48	-1.0	-47.88	389.72	9.16	-38.72
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020264201	1	48	-1.0	-47.82	389.76	9.15	-38.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020264202	0	51	-1.0	-40.87	407.91	6.81	-34.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020264202	1	51	-1.0	-40.89	407.96	6.83	-34.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020264203	0	48	-1.0	-43.99	393.57	6.33	-37.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020264203	1	48	-1.0	-44.06	393.63	6.36	-37.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1OC	REAL300020264204	0	51	-1.0	-54.95	406.52	8.35	-46.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1OC	REAL300020264204	1	51	-1.0	-54.92	406.58	8.39	-46.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020264205	0	51	-1.0	-44.63	403.06	7.51	-37.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020264205	1	51	-1.0	-44.61	403.12	7.52	-37.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020264206	0	48	-1.0	-45.57	376.50	6.78	-38.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020264206	1	48	-1.0	-45.54	376.45	6.76	-38.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020264207	0	50	-1.0	-41.59	400.40	9.42	-32.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020264207	1	50	-1.0	-41.61	400.46	9.43	-32.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020264208	0	47	-1.0	-43.66	376.72	8.77	-34.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020264208	1	47	-1.0	-43.66	376.67	8.74	-34.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020264209	0	46	-1.0	-42.26	350.57	7.46	-34.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020264209	1	46	-1.0	-42.24	350.63	7.47	-34.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020264210	0	43	-1.0	-45.52	332.87	6.83	-38.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020264210	1	43	-1.0	-45.56	332.81	6.81	-38.75
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1C	REAL300020264211	0	50	-1.0	-42.25	384.56	9.67	-32.58
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1C	REAL300020264211	1	50	-1.0	-42.21	384.59	9.67	-32.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020264212	0	41	-1.0	-44.02	331.34	2.28	-41.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020264212	1	41	-1.0	-44.03	331.39	2.29	-41.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020264213	0	38	-1.0	-45.12	310.61	1.61	-43.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020264213	1	38	-1.0	-45.09	310.55	1.59	-43.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020264214	0	38	-1.0	-37.95	339.79	7.40	-30.55
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020264214	1	38	-1.0	-37.98	339.85	7.42	-30.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020264215	0	35	-1.0	-41.79	309.51	6.50	-35.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020264215	1	35	-1.0	-41.71	309.45	6.47	-35.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020264216	0	54	-1.0	-40.61	419.92	11.46	-29.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020264216	1	54	-1.0	-40.61	419.98	11.48	-29.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020264217	0	51	-1.0	-42.14	400.23	10.35	-31.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020264217	1	51	-1.0	-42.19	400.27	10.37	-31.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020264218	0	57	0.0	-67.07	417.87	9.77	-57.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020264218	1	57	0.0	-67.09	417.92	9.78	-57.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020264219	0	54	0.0	-64.44	396.56	8.96	-55.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020264219	1	54	0.0	-64.43	396.61	8.99	-55.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020264220	0	50	-1.0	-44.14	397.48	8.19	-35.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020264220	1	50	-1.0	-44.09	397.54	8.20	-35.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020264221	0	47	-1.0	-51.32	370.17	7.39	-43.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020264221	1	47	-1.0	-51.33	370.23	7.40	-43.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020264222	0	49	-1.0	-41.78	403.94	8.12	-33.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020264222	1	49	-1.0	-41.78	404.00	8.13	-33.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020264223	0	46	-1.0	-43.35	380.14	7.49	-35.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020264223	1	46	-1.0	-43.33	380.20	7.52	-35.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020264224	0	48	-1.0	-42.63	409.24	7.03	-35.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020264224	1	48	-1.0	-42.62	409.30	7.04	-35.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020264225	0	45	-1.0	-44.46	385.51	6.35	-38.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020264225	1	45	-1.0	-44.46	385.56	6.38	-38.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCOC)C1	REAL300020264226	0	48	-1.0	-42.72	390.38	5.11	-37.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCOC)C1	REAL300020264226	1	48	-1.0	-42.73	390.44	5.13	-37.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCOC)C1	REAL300020264227	0	45	-1.0	-43.38	373.93	4.14	-39.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCOC)C1	REAL300020264227	1	45	-1.0	-43.41	373.98	4.18	-39.23
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCOC)C1	REAL300020264228	0	52	-1.0	-43.02	417.43	6.95	-36.07
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCOC)C1	REAL300020264228	1	52	-1.0	-43.00	417.55	6.94	-36.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020264229	0	50	-1.0	-41.64	412.72	9.45	-32.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020264229	1	50	-1.0	-41.65	412.77	9.46	-32.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020264230	0	47	-1.0	-45.33	380.45	8.67	-36.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020264230	1	47	-1.0	-45.35	380.39	8.64	-36.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020264231	0	53	-1.0	-41.12	430.54	8.61	-32.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020264231	1	53	-1.0	-41.15	430.59	8.63	-32.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020264232	0	50	-1.0	-42.91	406.81	7.94	-34.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020264232	1	50	-1.0	-42.91	406.85	7.96	-34.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(C(F)(F)F)C=C1	REAL300020264233	0	46	-1.0	-43.13	395.19	9.59	-33.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(C(F)(F)F)C=C1	REAL300020264233	1	46	-1.0	-43.16	395.25	9.61	-33.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020264234	0	45	-1.0	-42.29	368.52	5.13	-37.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020264234	1	45	-1.0	-42.33	368.58	5.15	-37.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020264235	0	42	-1.0	-45.56	345.89	4.22	-41.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020264235	1	42	-1.0	-45.60	345.84	4.20	-41.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020264236	0	48	-1.0	-40.99	405.72	9.75	-31.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020264236	1	48	-1.0	-40.97	405.78	9.76	-31.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020264237	0	45	-1.0	-41.96	383.82	8.94	-33.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020264237	1	45	-1.0	-41.93	383.87	8.96	-32.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020264238	0	51	-1.0	-43.25	415.71	11.19	-32.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020264238	1	51	-1.0	-43.22	415.79	11.20	-32.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020264239	0	48	-1.0	-49.32	400.54	10.65	-38.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020264239	1	48	-1.0	-49.30	400.48	10.63	-38.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020264240	0	52	-1.0	-40.78	398.07	9.11	-31.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020264240	1	52	-1.0	-40.70	398.13	9.12	-31.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020264241	0	49	-1.0	-44.20	383.11	9.27	-34.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020264241	1	49	-1.0	-44.20	383.06	9.24	-34.96
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020264242	0	56	-1.0	-42.12	432.55	11.86	-30.26
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020264242	1	56	-1.0	-42.14	432.59	11.86	-30.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020264243	0	50	-1.0	-42.68	398.87	6.61	-36.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020264243	1	50	-1.0	-42.67	398.92	6.63	-36.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020264244	0	47	-1.0	-45.37	377.37	5.81	-39.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020264244	1	47	-1.0	-45.41	377.42	5.84	-39.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020264245	0	46	-1.0	-42.90	376.17	7.02	-35.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020264245	1	46	-1.0	-42.89	376.23	7.03	-35.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020264246	0	43	-1.0	-44.56	360.53	6.43	-38.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020264246	1	43	-1.0	-44.57	360.48	6.40	-38.17
C=CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264247	0	43	-1.0	-40.24	358.32	7.43	-32.81
C=CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264247	1	43	-1.0	-40.19	358.37	7.45	-32.74
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020264248	0	47	-1.0	-41.42	389.75	9.50	-31.92
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020264248	1	47	-1.0	-41.43	389.79	9.49	-31.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020264249	0	48	-1.0	-39.61	382.26	6.84	-32.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020264249	1	48	-1.0	-39.58	382.32	6.86	-32.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020264250	0	45	-1.0	-43.77	362.42	6.12	-37.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020264250	1	45	-1.0	-43.71	362.37	6.09	-37.62
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020264251	0	52	-1.0	-41.51	407.30	8.97	-32.54
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020264251	1	52	-1.0	-41.43	407.33	8.96	-32.47
C=CCN(CC(=C)Br)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264252	0	41	-1.0	-39.69	364.33	7.89	-31.80
C=CCN(CC(=C)Br)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264252	1	41	-1.0	-39.70	364.38	7.90	-31.80
C=CCN(CC(=C)Br)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020264253	0	38	-1.0	-41.32	342.46	6.83	-34.49
C=CCN(CC(=C)Br)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020264253	1	38	-1.0	-41.30	342.40	6.81	-34.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020264254	0	46	-1.0	-41.74	384.14	9.49	-32.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020264254	1	46	-1.0	-41.72	384.20	9.50	-32.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020264255	0	43	-1.0	-43.83	363.75	8.12	-35.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020264255	1	43	-1.0	-43.88	363.70	8.10	-35.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020264256	0	39	-1.0	-48.23	330.44	5.58	-42.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020264256	1	39	-1.0	-48.22	330.49	5.59	-42.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020264257	0	36	-1.0	-49.22	308.99	4.82	-44.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020264257	1	36	-1.0	-49.22	308.94	4.79	-44.43
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020264258	0	43	-1.0	-52.17	356.73	7.53	-44.64
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020264258	1	43	-1.0	-52.13	356.76	7.51	-44.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020264259	0	45	-1.0	-39.70	365.28	5.88	-33.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020264259	1	45	-1.0	-39.70	365.34	5.89	-33.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020264260	0	42	-1.0	-43.65	342.64	5.08	-38.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020264260	1	42	-1.0	-43.65	342.58	5.06	-38.59
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020264261	0	49	-1.0	-41.92	388.79	7.82	-34.10
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020264261	1	49	-1.0	-41.87	388.79	7.79	-34.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020264262	0	46	-1.0	-45.91	364.05	6.47	-39.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020264262	1	46	-1.0	-45.93	364.11	6.48	-39.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020264263	0	43	-1.0	-46.59	371.15	5.47	-41.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020264263	1	43	-1.0	-46.62	371.09	5.45	-41.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(C(=O)OC)=C2C1	REAL300020264264	0	48	-1.0	-46.07	377.13	6.34	-39.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(C(=O)OC)=C2C1	REAL300020264264	1	48	-1.0	-46.08	377.08	6.32	-39.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC(C(=O)OC)=N2)CC1	REAL300020264265	0	50	-1.0	-45.58	414.10	7.45	-38.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC(C(=O)OC)=N2)CC1	REAL300020264265	1	50	-1.0	-45.65	414.05	7.44	-38.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020264266	0	41	-1.0	-40.56	338.84	5.00	-35.56
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020264266	1	41	-1.0	-40.54	338.90	5.01	-35.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020264267	0	38	-1.0	-41.05	323.56	4.39	-36.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020264267	1	38	-1.0	-41.01	323.52	4.37	-36.64
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020264268	0	45	-1.0	-42.47	367.31	6.96	-35.51
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020264268	1	45	-1.0	-42.38	367.33	6.95	-35.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020264269	0	48	-1.0	-45.20	384.55	5.35	-39.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020264269	1	48	-1.0	-45.14	384.61	5.37	-39.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020264270	0	45	-1.0	-45.81	357.99	4.62	-41.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020264270	1	45	-1.0	-45.83	357.94	4.61	-41.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020264271	0	45	-1.0	-54.53	389.07	5.14	-49.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020264271	1	45	-1.0	-54.52	389.01	5.11	-49.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020264272	0	53	-1.0	-52.00	419.35	5.24	-46.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020264272	1	53	-1.0	-52.01	419.41	5.26	-46.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020264273	0	50	-1.0	-52.35	397.88	4.46	-47.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020264273	1	50	-1.0	-52.43	397.94	4.48	-47.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=C(C#N)C=C2)C1	REAL300020264274	0	51	-1.0	-44.33	426.55	10.50	-33.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=C(C#N)C=C2)C1	REAL300020264274	1	51	-1.0	-44.33	426.60	10.53	-33.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	REAL300020264275	0	52	-1.0	-49.13	421.68	5.32	-43.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	REAL300020264275	1	52	-1.0	-49.16	421.74	5.35	-43.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC=C)(C(=O)OCC)C1	REAL300020264276	0	53	-1.0	-48.38	426.90	9.91	-38.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC=C)(C(=O)OCC)C1	REAL300020264276	1	53	-1.0	-48.41	426.96	9.94	-38.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020264277	0	55	-1.0	-39.93	420.74	9.89	-30.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020264277	1	55	-1.0	-39.88	420.80	9.90	-29.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020264278	0	52	-1.0	-42.87	405.55	9.08	-33.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020264278	1	52	-1.0	-42.87	405.61	9.11	-33.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020264279	0	50	-1.0	-40.93	384.21	8.57	-32.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020264279	1	50	-1.0	-40.95	384.27	8.58	-32.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020264280	0	47	-1.0	-43.39	362.77	7.81	-35.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020264280	1	47	-1.0	-43.41	362.72	7.79	-35.62
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020264281	0	54	-1.0	-42.27	412.93	10.54	-31.73
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020264281	1	54	-1.0	-42.20	412.96	10.53	-31.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC(C(=O)OC)=C2	REAL300020264282	0	44	-1.0	-47.67	381.86	6.97	-40.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC(C(=O)OC)=C2	REAL300020264282	1	44	-1.0	-47.63	381.92	6.99	-40.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020264283	0	45	-1.0	-45.84	379.48	5.79	-40.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020264283	1	45	-1.0	-45.80	379.54	5.80	-40.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020264284	0	42	-1.0	-48.59	357.20	5.15	-43.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020264284	1	42	-1.0	-48.58	357.27	5.16	-43.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020264285	0	43	-1.0	-44.49	360.48	7.51	-36.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020264285	1	43	-1.0	-44.52	360.54	7.52	-37.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020264286	0	40	-1.0	-42.73	339.03	6.73	-36.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020264286	1	40	-1.0	-42.71	338.97	6.70	-36.01
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(F)F)C1	REAL300020264287	0	47	-1.0	-42.49	390.17	9.54	-32.95
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(F)F)C1	REAL300020264287	1	47	-1.0	-42.45	390.22	9.53	-32.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020264288	0	50	-1.0	-45.59	420.89	8.92	-36.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020264288	1	50	-1.0	-45.55	420.84	8.91	-36.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020264289	0	47	-1.0	-47.75	399.37	8.15	-39.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020264289	1	47	-1.0	-47.78	399.31	8.12	-39.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020264290	0	44	-1.0	-47.38	380.20	6.48	-40.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020264290	1	44	-1.0	-47.41	380.26	6.50	-40.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020264291	0	41	-1.0	-50.21	354.92	5.76	-44.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020264291	1	41	-1.0	-50.22	354.97	5.79	-44.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020264292	0	53	-1.0	-41.44	417.76	9.90	-31.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020264292	1	53	-1.0	-41.40	417.82	9.91	-31.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020264293	0	50	-1.0	-43.54	394.09	9.25	-34.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020264293	1	50	-1.0	-43.58	394.04	9.22	-34.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020264294	0	56	-1.0	-41.43	433.72	10.31	-31.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020264294	1	56	-1.0	-41.44	433.77	10.32	-31.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020264295	0	53	-1.0	-45.35	411.12	9.40	-35.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020264295	1	53	-1.0	-45.33	411.05	9.38	-35.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020264296	0	51	-1.0	-38.57	420.40	10.09	-28.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020264296	1	51	-1.0	-38.61	420.45	10.10	-28.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020264297	0	48	-1.0	-40.10	398.35	9.49	-30.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020264297	1	48	-1.0	-40.06	398.41	9.52	-30.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020264298	0	47	-1.0	-51.24	382.75	4.25	-46.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020264298	1	47	-1.0	-51.23	382.80	4.26	-46.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020264299	0	44	-1.0	-50.88	357.41	3.48	-47.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020264299	1	44	-1.0	-50.91	357.46	3.49	-47.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020264300	0	48	-1.0	-41.54	402.56	8.22	-33.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020264300	1	48	-1.0	-41.50	402.62	8.23	-33.27
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020264301	0	45	-1.0	-44.71	380.89	7.44	-37.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020264301	1	45	-1.0	-44.74	380.82	7.41	-37.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020264302	0	51	-1.0	-42.44	424.47	9.00	-33.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020264302	1	51	-1.0	-42.49	424.52	9.02	-33.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020264303	0	48	-1.0	-43.65	396.50	8.33	-35.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020264303	1	48	-1.0	-43.67	396.56	8.36	-35.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020264304	0	43	-1.0	-40.30	357.88	7.26	-33.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020264304	1	43	-1.0	-40.31	357.94	7.27	-33.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020264305	0	40	-1.0	-42.17	334.10	6.67	-35.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020264305	1	40	-1.0	-42.16	334.15	6.68	-35.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC=C)(C(=O)OCC)CC1	REAL300020264306	0	53	-1.0	-41.44	423.54	9.13	-32.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC=C)(C(=O)OCC)CC1	REAL300020264306	1	53	-1.0	-41.43	423.60	9.16	-32.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020264307	0	44	-1.0	-48.71	364.73	3.34	-45.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020264307	1	44	-1.0	-48.71	364.79	3.35	-45.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020264308	0	41	-1.0	-50.97	322.38	2.13	-48.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020264308	1	41	-1.0	-50.99	322.33	2.12	-48.87
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020264309	0	48	-1.0	-49.93	391.11	5.23	-44.70
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020264309	1	48	-1.0	-49.96	391.10	5.22	-44.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020264310	0	48	-1.0	-49.90	382.67	6.28	-43.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020264310	1	48	-1.0	-49.93	382.73	6.29	-43.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020264311	0	45	-1.0	-50.20	364.62	5.53	-44.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020264311	1	45	-1.0	-50.25	364.56	5.51	-44.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020264312	0	50	-1.0	-39.53	409.34	10.42	-29.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020264312	1	50	-1.0	-39.52	409.39	10.43	-29.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020264313	0	47	-1.0	-44.38	375.72	9.55	-34.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020264313	1	47	-1.0	-44.38	375.67	9.52	-34.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020264314	0	51	-1.0	-42.93	409.11	8.95	-33.98
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020264314	1	51	-1.0	-42.94	409.17	8.97	-33.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020264315	0	48	-1.0	-50.69	382.01	8.05	-42.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020264315	1	48	-1.0	-50.61	381.95	8.02	-42.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020264316	0	43	-1.0	-49.38	345.05	3.29	-46.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020264316	1	43	-1.0	-49.33	345.11	3.31	-46.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020264317	0	40	-1.0	-49.70	317.39	2.48	-47.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020264317	1	40	-1.0	-49.69	317.35	2.46	-47.23
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC(N)=O	REAL300020264318	0	47	-1.0	-51.42	369.46	5.04	-46.38
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC(N)=O	REAL300020264318	1	47	-1.0	-51.44	369.50	5.03	-46.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020264319	0	41	-1.0	-42.10	365.00	8.26	-33.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020264319	1	41	-1.0	-42.09	365.05	8.28	-33.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020264320	0	50	-1.0	-41.98	394.68	8.98	-33.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020264320	1	50	-1.0	-42.00	394.74	8.99	-33.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020264321	0	47	-1.0	-46.12	365.19	7.90	-38.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020264321	1	47	-1.0	-46.18	365.13	7.88	-38.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020264322	0	43	-1.0	-38.51	376.75	8.13	-30.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020264322	1	43	-1.0	-38.49	376.81	8.15	-30.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020264323	0	40	-1.0	-40.67	355.31	7.37	-33.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020264323	1	40	-1.0	-40.67	355.25	7.35	-33.32
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020264324	0	47	-1.0	-41.85	399.14	10.25	-31.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020264324	1	47	-1.0	-41.82	399.16	10.24	-31.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC=C)(C(=O)OCC)C1	REAL300020264325	0	53	-1.0	-48.40	423.37	9.13	-39.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC=C)(C(=O)OCC)C1	REAL300020264325	1	53	-1.0	-48.40	423.42	9.15	-39.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC=C)(C(=O)OCC)C1	REAL300020264326	0	50	-1.0	-48.25	402.56	8.32	-39.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC=C)(C(=O)OCC)C1	REAL300020264326	1	50	-1.0	-48.29	402.62	8.34	-39.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020264327	0	50	-1.0	-43.32	384.82	8.66	-34.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020264327	1	50	-1.0	-43.35	384.88	8.68	-34.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020264328	0	47	-1.0	-44.77	364.32	7.93	-36.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020264328	1	47	-1.0	-44.80	364.26	7.91	-36.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020264329	0	48	-1.0	-40.43	378.91	6.38	-34.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020264329	1	48	-1.0	-40.44	378.97	6.39	-34.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020264330	0	45	-1.0	-41.77	349.95	6.17	-35.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020264330	1	45	-1.0	-41.77	349.91	6.14	-35.63
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020264331	0	52	-1.0	-42.15	405.04	8.27	-33.88
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020264331	1	52	-1.0	-42.14	405.09	8.26	-33.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020264332	0	48	-1.0	-41.04	405.67	8.87	-32.17
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020264332	1	48	-1.0	-41.03	405.61	8.85	-32.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020264333	0	45	-1.0	-44.00	384.02	8.10	-35.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020264333	1	45	-1.0	-44.01	383.96	8.08	-35.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020264334	0	51	-1.0	-39.72	405.71	6.42	-33.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020264334	1	51	-1.0	-39.71	405.76	6.43	-33.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020264335	0	48	-1.0	-42.77	382.27	5.81	-36.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020264335	1	48	-1.0	-42.80	382.32	5.84	-36.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020264336	0	47	-1.0	-48.49	388.15	9.64	-38.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020264336	1	47	-1.0	-48.44	388.10	9.62	-38.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020264337	0	44	-1.0	-49.86	370.47	9.00	-40.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020264337	1	44	-1.0	-49.89	370.41	8.97	-40.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020264338	0	53	-1.0	-45.05	417.44	8.37	-36.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020264338	1	53	-1.0	-45.10	417.50	8.39	-36.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020264338	1	54	0.0	-51.92	417.07	10.67	-41.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020264338	1	54	0.0	-50.01	420.52	10.22	-39.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020264339	0	44	-1.0	-39.09	357.83	7.94	-31.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020264339	1	44	-1.0	-39.16	357.89	7.96	-31.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020264340	0	41	-1.0	-43.44	336.53	7.23	-36.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020264340	1	41	-1.0	-43.39	336.48	7.21	-36.18
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1C2CCCC21	REAL300020264341	0	48	-1.0	-42.37	380.59	10.05	-32.32
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1C2CCCC21	REAL300020264341	1	48	-1.0	-42.37	380.63	10.03	-32.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020264342	0	47	-1.0	-40.95	368.93	7.52	-33.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020264342	1	47	-1.0	-40.95	368.99	7.54	-33.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020264343	0	44	-1.0	-41.42	354.71	7.76	-33.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020264343	1	44	-1.0	-41.37	354.66	7.75	-33.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020264344	0	47	-1.0	-41.03	390.75	8.35	-32.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020264344	1	47	-1.0	-41.02	390.81	8.37	-32.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020264345	0	44	-1.0	-43.20	364.71	7.58	-35.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020264345	1	44	-1.0	-43.19	364.65	7.56	-35.63
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C2	REAL300020264346	0	42	-1.0	-41.38	339.86	8.42	-32.96
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C2	REAL300020264346	1	42	-1.0	-41.35	339.90	8.41	-32.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020264347	0	47	-1.0	-41.99	375.50	6.32	-35.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020264347	1	47	-1.0	-41.97	375.56	6.33	-35.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020264348	0	44	-1.0	-42.85	347.34	5.53	-37.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020264348	1	44	-1.0	-42.84	347.30	5.51	-37.33
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020264349	0	51	-1.0	-43.37	404.38	8.27	-35.10
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020264349	1	51	-1.0	-43.35	404.43	8.26	-35.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020264350	0	55	0.0	-66.35	436.97	8.30	-58.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020264350	1	55	0.0	-66.36	437.03	8.32	-58.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020264351	0	52	0.0	-62.53	414.82	7.72	-54.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020264351	1	52	0.0	-62.51	414.88	7.74	-54.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC(C)(C)C)CC1	REAL300020264352	0	55	-1.0	-44.16	430.04	9.52	-34.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC(C)(C)C)CC1	REAL300020264352	1	55	-1.0	-44.19	430.08	9.54	-34.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020264353	0	48	-1.0	-41.65	380.10	6.81	-34.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020264353	1	48	-1.0	-41.68	380.16	6.83	-34.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020264354	0	45	-1.0	-48.47	348.24	5.88	-42.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020264354	1	45	-1.0	-48.46	348.18	5.86	-42.60
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020264355	0	52	-1.0	-45.66	399.57	8.68	-36.98
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020264355	1	52	-1.0	-45.65	399.61	8.67	-36.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020264356	0	51	-1.0	-43.30	405.72	7.84	-35.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020264356	1	51	-1.0	-43.32	405.78	7.86	-35.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020264357	0	48	-1.0	-43.93	392.28	8.29	-35.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020264357	1	48	-1.0	-43.91	392.22	8.27	-35.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020264358	0	53	-1.0	-41.11	399.85	4.54	-36.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020264358	1	53	-1.0	-41.09	399.91	4.55	-36.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)C1	REAL300020264358	1	54	0.0	-62.16	404.56	6.67	-55.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020264359	0	50	-1.0	-43.88	377.15	3.68	-40.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020264359	1	50	-1.0	-43.89	377.21	3.70	-40.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)C1	REAL300020264359	1	51	0.0	-63.77	388.09	5.85	-57.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020264360	0	48	-1.0	-44.41	387.24	5.70	-38.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020264360	1	48	-1.0	-44.43	387.30	5.71	-38.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020264361	0	45	-1.0	-44.26	373.79	6.15	-38.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020264361	1	45	-1.0	-44.32	373.73	6.13	-38.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020264362	0	48	-1.0	-39.13	404.55	9.85	-29.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020264362	1	48	-1.0	-39.15	404.61	9.86	-29.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020264363	0	45	-1.0	-40.43	383.04	9.06	-31.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020264363	1	45	-1.0	-40.43	383.09	9.09	-31.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020264364	0	48	-1.0	-41.46	388.55	7.39	-34.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020264364	1	48	-1.0	-41.47	388.61	7.41	-34.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020264365	0	45	-1.0	-43.20	367.53	6.52	-36.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020264365	1	45	-1.0	-43.19	367.48	6.50	-36.69
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020264366	0	52	-1.0	-43.11	414.52	9.33	-33.78
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020264366	1	52	-1.0	-43.09	414.56	9.32	-33.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020264367	0	41	-1.0	-46.52	365.42	9.55	-36.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020264367	1	41	-1.0	-46.49	365.36	9.54	-36.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020264368	0	38	-1.0	-47.87	338.79	8.89	-38.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020264368	1	38	-1.0	-47.88	338.74	8.87	-39.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020264369	0	47	-1.0	-46.27	386.09	9.03	-37.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020264369	1	47	-1.0	-46.27	386.15	9.05	-37.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020264370	0	54	-1.0	-45.09	432.79	5.95	-39.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020264370	1	54	-1.0	-45.09	432.84	5.98	-39.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020264371	0	48	-1.0	-41.22	396.43	9.40	-31.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020264371	1	48	-1.0	-41.20	396.48	9.42	-31.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020264372	0	45	-1.0	-44.99	375.32	8.84	-36.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020264372	1	45	-1.0	-44.96	375.26	8.82	-36.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020264373	0	53	-1.0	-39.20	401.32	7.37	-31.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020264373	1	53	-1.0	-39.19	401.38	7.39	-31.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020264374	0	50	-1.0	-42.62	381.44	6.62	-36.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020264374	1	50	-1.0	-42.71	381.49	6.64	-36.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020264375	0	46	-1.0	-45.79	378.91	6.02	-39.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020264375	1	46	-1.0	-45.79	378.97	6.03	-39.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020264376	0	43	-1.0	-44.69	355.25	5.32	-39.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020264376	1	43	-1.0	-44.65	355.20	5.30	-39.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020264377	0	46	-1.0	-53.23	385.27	3.65	-49.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020264377	1	46	-1.0	-53.19	385.33	3.66	-49.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020264378	0	43	-1.0	-60.64	356.07	2.90	-57.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020264378	1	43	-1.0	-60.65	356.12	2.93	-57.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NCC1=C(C)C=CO1	REAL300020264379	0	40	-1.0	-41.45	347.68	7.78	-33.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NCC1=C(C)C=CO1	REAL300020264379	1	40	-1.0	-41.44	347.74	7.79	-33.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NCC1=C(C)C=CO1	REAL300020264380	0	37	-1.0	-43.29	326.25	7.02	-36.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NCC1=C(C)C=CO1	REAL300020264380	1	37	-1.0	-43.30	326.19	6.99	-36.31
C=CCN1C(NCC2=C(C)C=CO2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020264381	0	44	-1.0	-43.21	374.04	9.65	-33.56
C=CCN1C(NCC2=C(C)C=CO2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020264381	1	44	-1.0	-43.26	374.08	9.64	-33.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020264382	0	50	-1.0	-41.58	395.52	9.23	-32.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020264382	1	50	-1.0	-41.60	395.57	9.25	-32.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020264383	0	47	-1.0	-43.55	371.34	9.33	-34.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020264383	1	47	-1.0	-43.52	371.28	9.30	-34.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCCOCC1=CC=CC=C1	REAL300020264384	0	56	-1.0	-42.56	447.66	9.10	-33.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCCOCC1=CC=CC=C1	REAL300020264384	1	56	-1.0	-42.55	447.72	9.12	-33.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCCOCC1=CC=CC=C1	REAL300020264385	0	53	-1.0	-44.86	431.26	8.63	-36.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCCOCC1=CC=CC=C1	REAL300020264385	1	53	-1.0	-44.88	431.32	8.65	-36.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020264386	0	42	-1.0	-40.88	334.01	5.38	-35.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020264386	1	42	-1.0	-40.86	334.06	5.39	-35.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020264387	0	39	-1.0	-44.79	314.66	4.70	-40.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020264387	1	39	-1.0	-44.78	314.60	4.68	-40.10
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020264388	0	46	-1.0	-43.74	364.41	7.40	-36.34
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020264388	1	46	-1.0	-43.72	364.45	7.39	-36.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC3=CC=CC=C3C2=O)CC1	REAL300020264389	0	50	-1.0	-52.92	404.50	9.46	-43.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC3=CC=CC=C3C2=O)CC1	REAL300020264389	1	50	-1.0	-52.88	404.55	9.49	-43.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020264390	0	40	-1.0	-40.57	326.58	6.57	-34.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020264390	1	40	-1.0	-40.57	326.64	6.58	-33.99
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020264391	0	44	-1.0	-42.34	342.95	7.81	-34.53
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020264391	1	44	-1.0	-42.35	342.99	7.80	-34.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020264392	0	42	-1.0	-51.11	357.65	2.75	-48.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020264392	1	42	-1.0	-51.13	357.71	2.76	-48.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020264393	0	39	-1.0	-51.91	334.15	1.83	-50.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020264393	1	39	-1.0	-51.92	334.09	1.80	-50.12
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020264394	0	46	-1.0	-50.56	380.47	4.44	-46.12
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020264394	1	46	-1.0	-50.53	380.50	4.44	-46.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020264395	0	49	-1.0	-39.56	374.64	6.39	-33.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020264395	1	49	-1.0	-39.57	374.70	6.40	-33.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020264396	0	46	-1.0	-43.76	347.03	5.55	-38.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020264396	1	46	-1.0	-43.75	346.98	5.53	-38.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCC)CC1=C(C)N(C)N=C1C	REAL300020264397	0	58	-1.0	-46.35	447.47	8.96	-37.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCC)CC1=C(C)N(C)N=C1C	REAL300020264397	1	58	-1.0	-46.35	447.54	8.99	-37.36
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264398	0	42	-1.0	-39.22	346.23	6.92	-32.30
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264398	1	42	-1.0	-39.24	346.29	6.93	-32.31
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020264399	0	46	-1.0	-42.73	371.79	9.23	-33.50
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020264399	1	46	-1.0	-42.75	371.83	9.22	-33.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300020264400	0	43	-1.0	-41.01	388.39	8.64	-32.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300020264400	1	43	-1.0	-41.01	388.44	8.67	-32.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C2=CSC=C2)C=C1	REAL300020264401	0	47	-1.0	-42.62	408.65	10.05	-32.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C2=CSC=C2)C=C1	REAL300020264401	1	47	-1.0	-42.55	408.61	10.02	-32.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020264402	0	46	-1.0	-43.54	376.74	8.28	-35.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020264402	1	46	-1.0	-43.54	376.80	8.29	-35.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020264403	0	43	-1.0	-48.56	359.17	7.70	-40.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020264403	1	43	-1.0	-48.56	359.12	7.67	-40.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020264404	0	41	-1.0	-43.93	362.64	8.46	-35.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020264404	1	41	-1.0	-43.85	362.58	8.44	-35.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020264405	0	38	-1.0	-45.89	341.15	7.68	-38.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020264405	1	38	-1.0	-45.88	341.09	7.66	-38.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020264406	0	53	-1.0	-42.74	429.38	10.81	-31.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020264406	1	53	-1.0	-42.73	429.44	10.83	-31.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020264407	0	50	-1.0	-45.84	408.81	10.28	-35.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020264407	1	50	-1.0	-45.85	408.87	10.30	-35.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020264408	0	44	-2.0	-80.23	383.44	5.03	-75.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020264408	1	44	-2.0	-80.26	383.50	5.05	-75.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020264408	1	45	-1.0	-53.05	381.37	5.03	-48.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020264408	1	45	-1.0	-53.01	381.43	5.04	-47.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020264409	0	41	-2.0	-84.34	354.79	4.25	-80.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020264409	1	41	-2.0	-84.35	354.73	4.23	-80.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020264409	1	42	-1.0	-54.46	360.11	4.29	-50.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020264409	1	42	-1.0	-54.50	360.05	4.26	-50.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020264410	0	45	-1.0	-49.10	387.64	3.64	-45.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020264410	1	45	-1.0	-49.08	387.70	3.66	-45.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020264411	0	42	-1.0	-51.51	368.86	2.95	-48.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020264411	1	42	-1.0	-51.50	368.92	2.97	-48.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020264412	0	39	-1.0	-41.87	336.66	6.35	-35.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020264412	1	39	-1.0	-41.87	336.72	6.37	-35.50
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(F)F	REAL300020264413	0	43	-1.0	-43.35	368.10	8.43	-34.92
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(F)F	REAL300020264413	1	43	-1.0	-43.28	368.15	8.42	-34.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(C(=O)OC)C=C2C1	REAL300020264414	0	47	-1.0	-47.54	392.16	8.75	-38.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(C(=O)OC)C=C2C1	REAL300020264414	1	47	-1.0	-47.55	392.22	8.77	-38.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020264415	0	43	-1.0	-41.90	356.88	7.49	-34.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020264415	1	43	-1.0	-41.91	356.94	7.50	-34.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020264416	0	40	-1.0	-41.94	338.31	6.78	-35.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020264416	1	40	-1.0	-41.94	338.26	6.75	-35.19
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC(F)C1	REAL300020264417	0	47	-1.0	-41.29	385.65	9.53	-31.76
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC(F)C1	REAL300020264417	1	47	-1.0	-41.29	385.69	9.51	-31.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020264418	0	50	-1.0	-59.61	419.79	6.96	-52.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020264418	1	50	-1.0	-59.55	419.73	6.94	-52.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020264419	0	47	-1.0	-60.48	402.11	6.31	-54.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020264419	1	47	-1.0	-60.51	402.04	6.29	-54.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020264420	0	44	-1.0	-49.63	361.59	3.84	-45.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020264420	1	44	-1.0	-49.63	361.65	3.85	-45.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020264421	0	41	-1.0	-53.92	342.71	3.08	-50.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020264421	1	41	-1.0	-53.93	342.66	3.06	-50.87
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264422	0	42	-1.0	-40.42	362.96	5.73	-34.69
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264422	1	42	-1.0	-40.45	363.01	5.74	-34.71
C#CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020264423	0	39	-1.0	-44.76	337.19	4.62	-40.14
C#CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020264423	1	39	-1.0	-44.74	337.14	4.60	-40.14
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020264424	0	46	-1.0	-44.90	386.80	7.25	-37.65
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020264424	1	46	-1.0	-44.88	386.83	7.24	-37.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020264425	0	50	-1.0	-42.02	411.70	7.32	-34.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020264425	1	50	-1.0	-41.96	411.76	7.33	-34.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020264426	0	47	-1.0	-43.84	392.75	6.32	-37.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020264426	1	47	-1.0	-43.82	392.81	6.35	-37.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC1	REAL300020264427	0	47	-1.0	-42.81	376.55	6.04	-36.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC1	REAL300020264427	1	47	-1.0	-42.82	376.61	6.06	-36.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC1	REAL300020264428	0	44	-1.0	-44.34	354.12	5.40	-38.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC1	REAL300020264428	1	44	-1.0	-44.32	354.06	5.38	-38.94
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)CC1CC1	REAL300020264429	0	51	-1.0	-43.57	408.34	7.98	-35.59
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)CC1CC1	REAL300020264429	1	51	-1.0	-43.59	408.37	7.97	-35.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020264430	0	47	-1.0	-41.53	403.92	7.96	-33.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020264430	1	47	-1.0	-41.53	403.97	7.98	-33.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020264431	0	44	-1.0	-43.77	382.35	7.20	-36.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020264431	1	44	-1.0	-43.76	382.30	7.18	-36.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020264432	0	47	-1.0	-45.73	393.82	9.41	-36.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020264432	1	47	-1.0	-45.73	393.88	9.42	-36.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020264433	0	44	-1.0	-42.82	382.52	9.48	-33.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020264433	1	44	-1.0	-42.84	382.46	9.46	-33.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020264434	0	50	-1.0	-39.19	408.40	9.75	-29.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020264434	1	50	-1.0	-39.22	408.46	9.76	-29.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020264435	0	47	-1.0	-42.43	387.00	9.20	-33.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020264435	1	47	-1.0	-42.44	386.94	9.17	-33.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020264436	0	47	-1.0	-40.92	385.36	6.67	-34.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020264436	1	47	-1.0	-40.88	385.42	6.68	-34.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020264437	0	44	-1.0	-42.74	363.32	6.16	-36.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020264437	1	44	-1.0	-42.74	363.27	6.14	-36.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(C(=O)OC)C1	REAL300020264438	0	49	-1.0	-45.89	412.18	7.44	-38.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(C(=O)OC)C1	REAL300020264438	1	49	-1.0	-45.90	412.23	7.45	-38.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020264439	0	40	-1.0	-44.46	334.84	5.86	-38.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020264439	1	40	-1.0	-44.52	334.89	5.87	-38.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020264440	0	37	-1.0	-43.84	307.82	5.83	-38.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020264440	1	37	-1.0	-43.83	307.76	5.80	-38.03
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020264441	0	44	-1.0	-44.05	357.53	8.57	-35.48
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020264441	1	44	-1.0	-44.01	357.57	8.56	-35.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020264442	0	53	-1.0	-38.95	396.72	9.71	-29.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020264442	1	53	-1.0	-38.95	396.78	9.72	-29.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020264443	0	50	-1.0	-43.59	367.31	8.87	-34.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020264443	1	50	-1.0	-43.66	367.25	8.85	-34.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020264444	0	50	-1.0	-39.51	398.85	8.82	-30.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020264444	1	50	-1.0	-39.52	398.90	8.84	-30.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020264445	0	47	-1.0	-42.11	375.17	8.16	-33.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020264445	1	47	-1.0	-42.13	375.12	8.14	-33.99
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020264446	0	48	-1.0	-47.38	407.21	8.22	-39.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020264446	1	48	-1.0	-47.36	407.27	8.23	-39.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020264447	0	45	-1.0	-52.56	368.69	6.16	-46.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020264447	1	45	-1.0	-52.56	368.63	6.14	-46.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020264448	0	47	-1.0	-40.47	396.66	9.63	-30.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020264448	1	47	-1.0	-40.45	396.71	9.65	-30.80
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020264449	0	44	-1.0	-45.00	366.17	7.83	-37.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020264449	1	44	-1.0	-44.97	366.11	7.80	-37.17
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020264450	0	51	-1.0	-44.56	405.77	9.06	-35.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020264450	1	51	-1.0	-44.56	405.83	9.07	-35.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020264451	0	48	-1.0	-46.57	384.33	8.30	-38.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020264451	1	48	-1.0	-46.56	384.27	8.27	-38.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2=C(C1)NC1=CC=CC=C12	REAL300020264452	0	46	-1.0	-44.89	382.45	8.70	-36.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2=C(C1)NC1=CC=CC=C12	REAL300020264452	1	46	-1.0	-44.88	382.39	8.66	-36.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020264453	0	53	-1.0	-44.66	439.19	8.09	-36.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020264453	1	53	-1.0	-44.69	439.24	8.11	-36.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020264454	0	50	-1.0	-46.38	415.84	7.46	-38.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020264454	1	50	-1.0	-46.35	415.90	7.49	-38.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020264455	0	41	-1.0	-44.47	358.78	5.71	-38.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020264455	1	41	-1.0	-44.50	358.84	5.73	-38.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020264456	0	38	-1.0	-42.06	330.50	5.57	-36.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020264456	1	38	-1.0	-42.04	330.44	5.55	-36.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020264457	0	49	-1.0	-41.30	395.34	8.41	-32.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020264457	1	49	-1.0	-41.31	395.40	8.43	-32.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020264458	0	46	-1.0	-45.90	379.39	7.38	-38.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020264458	1	46	-1.0	-45.86	379.33	7.37	-38.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020264459	0	53	-1.0	-43.43	435.30	9.48	-33.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020264459	1	53	-1.0	-43.43	435.36	9.49	-33.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020264460	0	50	-1.0	-46.09	412.13	8.87	-37.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020264460	1	50	-1.0	-46.12	412.18	8.89	-37.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020264461	0	50	-1.0	-40.15	396.90	8.81	-31.34
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020264461	1	50	-1.0	-40.14	396.95	8.83	-31.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020264462	0	47	-1.0	-45.02	368.41	8.11	-36.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020264462	1	47	-1.0	-45.02	368.47	8.13	-36.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020264463	0	48	-1.0	-47.54	385.19	10.36	-37.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020264463	1	48	-1.0	-47.50	385.25	10.37	-37.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020264464	0	45	-1.0	-54.24	358.10	9.64	-44.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020264464	1	45	-1.0	-54.26	358.04	9.63	-44.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020264465	0	53	-1.0	-39.21	383.18	8.84	-30.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020264465	1	53	-1.0	-39.22	383.24	8.86	-30.36
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020264466	0	50	-1.0	-41.40	378.35	8.61	-32.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020264466	1	50	-1.0	-41.41	378.40	8.63	-32.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020264467	0	43	-1.0	-41.03	353.09	7.63	-33.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020264467	1	43	-1.0	-40.99	353.15	7.65	-33.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020264468	0	40	-1.0	-42.49	342.70	6.78	-35.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020264468	1	40	-1.0	-42.46	342.64	6.76	-35.70
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020264469	0	47	-1.0	-42.62	392.86	9.53	-33.09
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020264469	1	47	-1.0	-42.63	392.91	9.53	-33.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020264470	0	54	-1.0	-41.68	409.97	8.16	-33.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020264470	1	54	-1.0	-41.71	410.03	8.17	-33.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020264471	0	51	-1.0	-43.33	388.42	7.37	-35.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020264471	1	51	-1.0	-43.29	388.48	7.40	-35.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020264472	0	45	-1.0	-44.58	362.73	4.31	-40.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020264472	1	45	-1.0	-44.57	362.79	4.32	-40.25
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020264473	0	42	-1.0	-45.69	341.29	3.54	-42.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020264473	1	42	-1.0	-45.71	341.24	3.51	-42.20
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020264474	0	49	-1.0	-46.45	391.56	6.26	-40.19
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020264474	1	49	-1.0	-46.35	391.60	6.25	-40.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020264475	0	41	-1.0	-44.33	359.56	7.04	-37.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020264475	1	41	-1.0	-44.32	359.61	7.05	-37.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020264476	0	38	-1.0	-46.02	338.22	6.24	-39.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020264476	1	38	-1.0	-46.03	338.26	6.27	-39.76
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020264477	0	45	-1.0	-46.97	385.95	8.99	-37.98
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020264477	1	45	-1.0	-46.95	385.99	8.98	-37.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020264478	0	48	-1.0	-45.39	379.20	4.96	-40.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020264478	1	48	-1.0	-45.37	379.26	4.98	-40.39
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020264479	0	45	-1.0	-46.57	355.52	4.31	-42.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020264479	1	45	-1.0	-46.56	355.47	4.29	-42.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC=C)(C(=O)OCC)C1	REAL300020264480	0	51	-1.0	-48.12	409.23	7.18	-40.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC=C)(C(=O)OCC)C1	REAL300020264480	1	51	-1.0	-48.14	409.29	7.20	-40.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020264481	0	49	-1.0	-44.62	418.54	8.11	-36.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020264481	1	49	-1.0	-44.62	418.48	8.09	-36.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020264482	0	46	-1.0	-44.61	393.12	7.41	-37.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020264482	1	46	-1.0	-44.57	393.07	7.40	-37.17
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020264483	0	48	-1.0	-42.01	389.81	5.78	-36.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020264483	1	48	-1.0	-42.04	389.86	5.80	-36.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020264484	0	45	-1.0	-43.57	365.98	5.15	-38.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020264484	1	45	-1.0	-43.54	365.94	5.13	-38.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020264485	0	42	-1.0	-43.97	342.67	5.69	-38.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020264485	1	42	-1.0	-44.02	342.73	5.70	-38.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020264486	0	39	-1.0	-45.65	321.22	4.93	-40.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020264486	1	39	-1.0	-45.62	321.16	4.90	-40.72
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020264487	0	46	-1.0	-46.74	368.08	7.58	-39.16
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020264487	1	46	-1.0	-46.70	368.11	7.57	-39.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020264488	0	46	-1.0	-50.04	397.51	7.85	-42.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020264488	1	46	-1.0	-50.07	397.45	7.81	-42.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020264489	0	47	-1.0	-44.90	383.45	9.45	-35.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020264489	1	47	-1.0	-44.89	383.51	9.47	-35.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020264490	0	44	-1.0	-48.69	357.38	8.49	-40.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020264490	1	44	-1.0	-48.69	357.32	8.46	-40.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC)CC1	REAL300020264491	0	49	-1.0	-38.82	387.37	8.91	-29.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC)CC1	REAL300020264491	1	49	-1.0	-38.80	387.43	8.92	-29.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC)CC1	REAL300020264492	0	46	-1.0	-41.22	363.60	8.26	-32.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC)CC1	REAL300020264492	1	46	-1.0	-41.22	363.55	8.24	-32.98
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCC)CC1	REAL300020264493	0	53	-1.0	-41.50	417.24	10.90	-30.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCC)CC1	REAL300020264493	1	53	-1.0	-41.46	417.28	10.88	-30.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020264494	0	46	-1.0	-41.63	393.38	7.66	-33.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020264494	1	46	-1.0	-41.64	393.44	7.67	-33.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020264495	0	43	-1.0	-44.98	372.23	6.87	-38.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020264495	1	43	-1.0	-44.97	372.29	6.89	-38.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020264496	0	37	-1.0	-41.21	315.48	5.26	-35.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020264496	1	37	-1.0	-41.19	315.53	5.27	-35.92
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020264497	0	41	-1.0	-43.87	345.85	7.33	-36.54
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020264497	1	41	-1.0	-43.90	345.90	7.32	-36.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC(C(=O)OC)=N2)C1	REAL300020264498	0	50	-1.0	-47.74	422.94	7.32	-40.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC(C(=O)OC)=N2)C1	REAL300020264498	1	50	-1.0	-47.75	422.88	7.30	-40.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020264499	0	47	-1.0	-43.82	375.66	3.95	-39.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020264499	1	47	-1.0	-43.80	375.72	3.97	-39.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020264500	0	44	-1.0	-45.42	363.38	3.39	-42.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020264500	1	44	-1.0	-45.44	363.32	3.36	-42.08
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020264501	0	51	-1.0	-46.54	404.77	5.91	-40.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020264501	1	51	-1.0	-46.50	404.58	5.89	-40.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2OCC)C1	REAL300020264502	0	52	-1.0	-44.22	413.49	8.52	-35.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2OCC)C1	REAL300020264502	1	52	-1.0	-44.25	413.54	8.54	-35.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020264503	0	44	-1.0	-40.29	335.39	7.79	-32.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020264503	1	44	-1.0	-40.32	335.45	7.81	-32.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020264504	0	41	-1.0	-42.67	311.42	7.22	-35.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020264504	1	41	-1.0	-42.62	311.37	7.21	-35.41
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020264505	0	48	-1.0	-41.43	375.63	9.65	-31.78
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020264505	1	48	-1.0	-41.45	375.67	9.64	-31.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020264506	0	44	-1.0	-44.73	374.46	10.21	-34.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020264506	1	44	-1.0	-44.76	374.42	10.20	-34.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020264507	0	44	-1.0	-42.42	338.19	6.98	-35.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020264507	1	44	-1.0	-42.47	338.23	6.99	-35.48
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020264508	0	41	-1.0	-45.58	318.91	6.42	-39.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020264508	1	41	-1.0	-45.55	318.86	6.41	-39.14
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020264509	0	48	-1.0	-42.55	364.24	8.87	-33.68
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020264509	1	48	-1.0	-42.54	364.26	8.85	-33.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020264510	0	47	-1.0	-42.36	390.18	6.84	-35.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020264510	1	47	-1.0	-42.40	390.13	6.83	-35.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020264511	0	44	-1.0	-42.98	367.91	6.25	-36.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020264511	1	44	-1.0	-43.00	367.85	6.23	-36.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020264512	0	43	-1.0	-39.79	354.52	7.40	-32.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020264512	1	43	-1.0	-39.79	354.58	7.42	-32.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020264513	0	40	-1.0	-43.03	331.26	6.80	-36.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020264513	1	40	-1.0	-43.04	331.21	6.77	-36.27
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020264514	0	47	-1.0	-41.41	381.32	9.53	-31.88
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020264514	1	47	-1.0	-41.44	381.36	9.52	-31.92
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020264515	0	52	-1.0	-42.92	418.27	2.24	-40.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020264515	1	52	-1.0	-42.90	418.33	2.25	-40.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020264516	0	49	-1.0	-45.66	383.34	1.00	-44.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020264516	1	49	-1.0	-45.71	383.39	1.03	-44.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020264517	0	48	-1.0	-43.26	396.26	3.26	-40.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020264517	1	48	-1.0	-43.24	396.31	3.28	-39.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020264518	0	45	-1.0	-43.98	371.44	2.60	-41.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020264518	1	45	-1.0	-44.02	371.49	2.61	-41.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020264519	0	48	-1.0	-46.93	385.85	5.45	-41.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020264519	1	48	-1.0	-46.93	385.90	5.47	-41.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020264520	0	45	-1.0	-49.07	364.41	4.69	-44.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020264520	1	45	-1.0	-49.03	364.35	4.67	-44.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020264521	0	46	-1.0	-41.23	378.83	8.19	-33.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020264521	1	46	-1.0	-41.23	378.89	8.20	-33.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020264522	0	43	-1.0	-43.22	353.29	7.49	-35.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020264522	1	43	-1.0	-43.19	353.33	7.52	-35.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020264523	0	51	-1.0	-43.96	409.80	7.02	-36.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020264523	1	51	-1.0	-43.94	409.85	7.04	-36.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020264524	0	48	-1.0	-45.55	383.84	6.97	-38.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020264524	1	48	-1.0	-45.56	383.90	6.99	-38.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C2=CC=C(F)C=C2)C1	REAL300020264525	0	51	-1.0	-40.66	427.43	8.94	-31.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C2=CC=C(F)C=C2)C1	REAL300020264525	1	51	-1.0	-40.68	427.49	8.96	-31.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C2=CC=C(F)C=C2)C1	REAL300020264526	0	48	-1.0	-42.52	405.99	8.15	-34.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C2=CC=C(F)C=C2)C1	REAL300020264526	1	48	-1.0	-42.52	406.05	8.16	-34.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C2C=CC(Cl)=CN12	REAL300020264527	0	46	-1.0	-40.66	408.76	9.25	-31.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C2C=CC(Cl)=CN12	REAL300020264527	1	46	-1.0	-40.66	408.70	9.24	-31.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C2C=CC(Cl)=CN12	REAL300020264528	0	43	-1.0	-42.85	387.26	8.48	-34.37
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C2C=CC(Cl)=CN12	REAL300020264528	1	43	-1.0	-42.87	387.20	8.45	-34.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020264529	0	44	-1.0	-43.72	338.29	3.55	-40.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020264529	1	44	-1.0	-43.73	338.35	3.56	-40.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020264530	0	41	-1.0	-42.95	332.64	3.72	-39.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020264530	1	41	-1.0	-42.95	332.59	3.70	-39.25
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020264531	0	48	-1.0	-45.22	370.56	5.64	-39.58
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020264531	1	48	-1.0	-45.14	370.60	5.64	-39.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020264532	0	51	-1.0	-41.13	380.42	5.34	-35.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020264532	1	51	-1.0	-41.05	380.48	5.35	-35.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020264533	0	48	-1.0	-42.96	364.79	4.73	-38.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020264533	1	48	-1.0	-42.89	364.74	4.70	-38.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020264534	0	46	-1.0	-41.49	388.64	6.97	-34.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020264534	1	46	-1.0	-41.49	388.70	7.00	-34.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020264535	0	50	-1.0	-41.07	407.54	11.04	-30.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020264535	1	50	-1.0	-41.05	407.60	11.06	-29.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020264536	0	47	-1.0	-43.96	387.87	10.14	-33.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020264536	1	47	-1.0	-43.98	387.81	10.12	-33.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020264537	0	51	-1.0	-39.46	404.65	10.29	-29.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020264537	1	51	-1.0	-39.45	404.71	10.30	-29.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020264538	0	48	-1.0	-43.45	385.08	9.57	-33.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020264538	1	48	-1.0	-43.48	385.02	9.54	-33.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020264539	0	52	-1.0	-41.88	394.53	6.76	-35.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020264539	1	52	-1.0	-41.92	394.58	6.78	-35.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020264540	0	49	-1.0	-43.40	389.02	5.25	-38.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020264540	1	49	-1.0	-43.43	389.08	5.27	-38.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C(C)C1CCC1	REAL300020264541	0	49	-1.0	-41.19	373.46	8.57	-32.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C(C)C1CCC1	REAL300020264541	1	49	-1.0	-41.15	373.51	8.58	-32.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C(C)C1CCC1	REAL300020264542	0	46	-1.0	-43.53	365.25	6.37	-37.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C(C)C1CCC1	REAL300020264542	1	46	-1.0	-43.57	365.19	6.35	-37.22
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C(C)C1CCC1	REAL300020264543	0	53	-1.0	-42.23	405.21	10.65	-31.58
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C(C)C1CCC1	REAL300020264543	1	53	-1.0	-42.20	405.24	10.64	-31.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020264544	0	51	-1.0	-43.96	409.80	7.02	-36.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020264544	1	51	-1.0	-43.94	409.85	7.04	-36.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020264545	0	48	-1.0	-45.55	383.84	6.97	-38.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020264545	1	48	-1.0	-45.56	383.90	6.99	-38.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020264546	0	38	-1.0	-38.15	340.93	7.60	-30.55
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020264546	1	38	-1.0	-38.15	340.98	7.62	-30.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020264547	0	35	-1.0	-40.76	317.57	6.82	-33.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020264547	1	35	-1.0	-40.76	317.51	6.79	-33.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC(OC)=C2)C1	REAL300020264548	0	52	-1.0	-46.33	428.53	7.58	-38.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC(OC)=C2)C1	REAL300020264548	1	52	-1.0	-46.32	428.58	7.61	-38.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020264549	0	46	-1.0	-39.87	381.14	8.33	-31.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020264549	1	46	-1.0	-39.84	381.19	8.34	-31.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020264550	0	43	-1.0	-43.48	362.93	8.68	-34.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020264550	1	43	-1.0	-43.47	362.86	8.65	-34.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020264551	0	48	-1.0	-45.46	388.76	6.20	-39.26
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020264551	1	48	-1.0	-45.51	388.82	6.21	-39.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020264552	0	45	-1.0	-48.86	365.40	5.20	-43.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020264552	1	45	-1.0	-48.90	365.34	5.18	-43.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020264553	0	41	-1.0	-39.91	337.33	6.38	-33.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020264553	1	41	-1.0	-39.92	337.39	6.39	-33.53
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC12CC2	REAL300020264554	0	45	-1.0	-42.63	367.75	8.51	-34.12
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC12CC2	REAL300020264554	1	45	-1.0	-42.61	367.79	8.50	-34.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020264555	0	56	-1.0	-39.29	434.77	11.12	-28.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020264555	1	56	-1.0	-39.35	434.83	11.13	-28.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020264556	0	53	-1.0	-42.53	413.73	10.33	-32.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020264556	1	53	-1.0	-42.53	413.79	10.35	-32.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020264557	0	45	-1.0	-43.69	359.83	7.80	-35.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020264557	1	45	-1.0	-43.66	359.89	7.81	-35.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020264558	0	42	-1.0	-43.67	338.42	7.22	-36.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020264558	1	42	-1.0	-43.68	338.38	7.20	-36.48
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCSC2)C1	REAL300020264559	0	49	-1.0	-42.30	392.59	9.78	-32.52
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCSC2)C1	REAL300020264559	1	49	-1.0	-42.31	392.63	9.76	-32.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020264560	0	45	-1.0	-45.91	359.44	4.04	-41.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020264560	1	45	-1.0	-45.89	359.50	4.06	-41.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020264561	0	42	-1.0	-47.19	335.40	3.47	-43.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020264561	1	42	-1.0	-47.17	335.35	3.45	-43.72
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020264562	0	49	-1.0	-48.17	387.20	5.98	-42.19
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020264562	1	49	-1.0	-48.17	387.24	5.97	-42.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1C	REAL300020264563	0	52	-1.0	-40.03	418.98	10.31	-29.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1C	REAL300020264563	1	52	-1.0	-40.04	419.04	10.32	-29.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1C	REAL300020264564	0	49	-1.0	-42.54	403.97	9.78	-32.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1C	REAL300020264564	1	49	-1.0	-42.52	403.92	9.76	-32.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020264565	0	46	-1.0	-39.36	378.88	7.90	-31.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020264565	1	46	-1.0	-39.34	378.93	7.92	-31.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020264566	0	43	-1.0	-41.14	356.75	7.32	-33.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020264566	1	43	-1.0	-41.16	356.81	7.34	-33.82
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020264567	0	40	-1.0	-41.84	330.32	3.82	-38.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020264567	1	40	-1.0	-41.87	330.38	3.84	-38.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020264568	0	37	-1.0	-46.58	308.77	3.11	-43.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020264568	1	37	-1.0	-46.59	308.71	3.08	-43.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020264569	0	44	-1.0	-45.76	358.99	5.81	-39.95
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020264569	1	44	-1.0	-45.70	359.05	5.81	-39.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020264570	0	41	-1.0	-43.64	350.70	4.19	-39.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020264570	1	41	-1.0	-43.64	350.76	4.21	-39.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020264571	0	38	-1.0	-44.87	327.92	3.41	-41.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020264571	1	38	-1.0	-44.86	327.86	3.39	-41.47
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN=NN1C	REAL300020264572	0	45	-1.0	-47.02	372.20	6.26	-40.76
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN=NN1C	REAL300020264572	1	45	-1.0	-46.98	372.24	6.23	-40.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020264573	0	44	-1.0	-40.77	358.99	6.59	-34.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020264573	1	44	-1.0	-40.80	359.04	6.61	-34.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020264574	0	41	-1.0	-42.65	341.95	6.01	-36.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020264574	1	41	-1.0	-42.66	341.90	5.98	-36.68
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC1CC1	REAL300020264575	0	48	-1.0	-42.03	399.47	8.24	-33.79
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC1CC1	REAL300020264575	1	48	-1.0	-42.03	399.51	8.23	-33.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020264576	0	53	-1.0	-39.68	415.81	7.98	-31.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020264576	1	53	-1.0	-39.75	415.87	7.99	-31.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020264577	0	50	-1.0	-41.04	392.99	7.38	-33.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020264577	1	50	-1.0	-41.04	393.04	7.39	-33.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020264578	0	47	-1.0	-48.73	386.31	3.81	-44.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020264578	1	47	-1.0	-48.73	386.36	3.82	-44.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020264579	0	44	-1.0	-43.71	368.41	3.20	-40.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020264579	1	44	-1.0	-43.71	368.46	3.22	-40.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020264580	0	48	-1.0	-46.93	394.28	6.43	-40.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020264580	1	48	-1.0	-46.92	394.34	6.45	-40.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020264581	0	45	-1.0	-46.05	370.12	5.51	-40.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020264581	1	45	-1.0	-46.05	370.06	5.48	-40.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2[C@@H](C)C1	REAL300020264582	0	50	-1.0	-39.23	375.60	7.80	-31.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2[C@@H](C)C1	REAL300020264582	1	50	-1.0	-39.28	375.66	7.81	-31.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2[C@@H](C)C1	REAL300020264583	0	47	-1.0	-41.23	385.65	10.76	-30.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2[C@@H](C)C1	REAL300020264583	1	47	-1.0	-41.22	385.62	10.74	-30.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1F	REAL300020264584	0	49	-1.0	-41.21	412.60	9.40	-31.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1F	REAL300020264584	1	49	-1.0	-41.21	412.65	9.42	-31.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1F	REAL300020264585	0	46	-1.0	-44.25	385.32	8.97	-35.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1F	REAL300020264585	1	46	-1.0	-44.26	385.26	8.95	-35.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020264586	0	51	-1.0	-43.78	405.56	6.74	-37.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020264586	1	51	-1.0	-43.80	405.62	6.76	-37.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020264587	0	48	-1.0	-43.66	394.07	6.22	-37.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020264587	1	48	-1.0	-43.63	394.01	6.20	-37.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300020264588	0	42	-1.0	-44.92	363.31	6.42	-38.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300020264588	1	42	-1.0	-44.92	363.36	6.44	-38.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020264589	0	44	-1.0	-41.08	366.29	7.99	-33.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020264589	1	44	-1.0	-41.05	366.35	8.00	-33.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020264590	0	41	-1.0	-45.72	346.44	7.26	-38.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020264590	1	41	-1.0	-45.75	346.38	7.24	-38.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020264591	0	48	-1.0	-42.92	394.06	9.92	-33.00
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C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C(OC)=C2)C1	REAL300020264592	0	52	-1.0	-48.54	413.92	7.76	-40.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C(OC)=C2)C1	REAL300020264592	1	52	-1.0	-48.53	413.98	7.78	-40.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020264593	0	42	-1.0	-39.57	376.95	7.35	-32.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020264593	1	42	-1.0	-39.57	377.01	7.36	-32.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020264594	0	39	-1.0	-44.45	353.22	6.41	-38.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020264594	1	39	-1.0	-44.43	353.16	6.38	-38.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020264595	0	53	-1.0	-41.76	415.79	7.84	-33.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020264595	1	53	-1.0	-41.78	415.85	7.85	-33.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020264596	0	50	-1.0	-46.58	392.14	7.06	-39.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020264596	1	50	-1.0	-46.59	392.19	7.08	-39.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020264597	0	54	-1.0	-40.35	395.65	10.85	-29.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020264597	1	54	-1.0	-40.36	395.71	10.86	-29.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020264598	0	51	-1.0	-42.47	376.64	10.14	-32.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020264598	1	51	-1.0	-42.50	376.70	10.16	-32.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020264599	0	54	-1.0	-42.04	420.18	10.43	-31.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020264599	1	54	-1.0	-42.03	420.23	10.44	-31.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020264600	0	51	-1.0	-45.98	397.65	9.57	-36.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020264600	1	51	-1.0	-45.94	397.59	9.54	-36.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2NC(=O)N(C)C2=O)CC1	REAL300020264601	0	49	-1.0	-46.97	398.83	4.53	-42.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2NC(=O)N(C)C2=O)CC1	REAL300020264601	1	49	-1.0	-46.97	398.88	4.54	-42.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(N2C=CC=N2)S1	REAL300020264602	0	46	-1.0	-42.34	411.69	8.02	-34.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(N2C=CC=N2)S1	REAL300020264602	1	46	-1.0	-42.32	411.64	8.01	-34.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(N2C=CC=N2)S1	REAL300020264603	0	43	-1.0	-44.92	390.28	7.19	-37.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(N2C=CC=N2)S1	REAL300020264603	1	43	-1.0	-44.93	390.22	7.16	-37.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C1	REAL300020264604	0	41	-1.0	-44.56	340.28	6.89	-37.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C1	REAL300020264604	1	41	-1.0	-44.57	340.34	6.90	-37.67
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)C1	REAL300020264605	0	45	-1.0	-46.58	368.93	8.86	-37.72
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)C1	REAL300020264605	1	45	-1.0	-46.53	368.95	8.85	-37.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020264606	0	47	-1.0	-42.02	389.54	9.09	-32.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020264606	1	47	-1.0	-42.09	389.60	9.11	-32.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020264607	0	44	-1.0	-44.38	365.74	8.42	-35.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020264607	1	44	-1.0	-44.45	365.79	8.44	-36.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020264608	0	53	-1.0	-41.43	430.13	7.98	-33.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020264608	1	53	-1.0	-41.45	430.19	8.00	-33.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020264609	0	50	-1.0	-44.42	409.08	7.23	-37.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020264609	1	50	-1.0	-44.39	409.14	7.25	-37.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020264610	0	48	-1.0	-43.88	397.93	2.24	-41.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020264610	1	48	-1.0	-43.88	397.99	2.25	-41.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020264611	0	45	-1.0	-47.16	378.38	1.49	-45.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020264611	1	45	-1.0	-47.19	378.44	1.52	-45.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020264612	0	50	-1.0	-42.69	406.55	9.16	-33.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020264612	1	50	-1.0	-42.69	406.51	9.15	-33.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300020264613	0	43	-1.0	-42.70	387.36	8.65	-34.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300020264613	1	43	-1.0	-42.70	387.42	8.67	-34.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CCC	REAL300020264614	0	48	-1.0	-40.23	375.38	8.70	-31.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CCC	REAL300020264614	1	48	-1.0	-40.22	375.44	8.71	-31.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CCC	REAL300020264615	0	45	-1.0	-41.59	364.91	7.94	-33.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CCC	REAL300020264615	1	45	-1.0	-41.60	364.86	7.92	-33.68
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)CCC	REAL300020264616	0	52	-1.0	-42.28	410.12	10.73	-31.55
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)CCC	REAL300020264616	1	52	-1.0	-42.31	410.16	10.72	-31.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020264617	0	47	-1.0	-44.90	383.45	9.45	-35.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020264617	1	47	-1.0	-44.89	383.51	9.47	-35.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020264618	0	44	-1.0	-48.69	357.38	8.49	-40.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020264618	1	44	-1.0	-48.69	357.32	8.46	-40.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020264619	0	47	-1.0	-48.83	410.45	10.77	-38.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020264619	1	47	-1.0	-48.87	410.39	10.76	-38.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020264620	0	44	-1.0	-50.90	388.96	10.00	-40.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020264620	1	44	-1.0	-50.88	388.90	9.97	-40.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020264621	0	45	-1.0	-49.68	383.86	6.16	-43.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020264621	1	45	-1.0	-49.71	383.81	6.15	-43.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020264622	0	42	-1.0	-52.19	362.38	5.39	-46.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020264622	1	42	-1.0	-52.20	362.32	5.36	-46.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Br	REAL300020264623	0	40	-1.0	-46.28	363.24	5.75	-40.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Br	REAL300020264623	1	40	-1.0	-46.29	363.30	5.77	-40.52
C#CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)C1	REAL300020264624	0	46	-1.0	-43.87	385.50	7.09	-36.78
C#CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)C1	REAL300020264624	1	46	-1.0	-43.90	385.56	7.11	-36.79
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)C1	REAL300020264625	0	43	-1.0	-46.41	365.91	6.62	-39.79
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)C1	REAL300020264625	1	43	-1.0	-46.37	365.86	6.60	-39.77
C#CCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)C1	REAL300020264626	0	50	-1.0	-44.14	415.48	9.10	-35.04
C#CCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)C1	REAL300020264626	1	50	-1.0	-44.14	415.47	9.09	-35.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020264627	0	44	-1.0	-39.70	348.42	7.29	-32.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020264627	1	44	-1.0	-39.71	348.48	7.30	-32.41
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020264628	0	41	-1.0	-42.11	334.99	6.25	-35.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020264628	1	41	-1.0	-42.14	334.94	6.23	-35.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCSCC1	REAL300020264629	0	48	-1.0	-42.34	385.24	9.68	-32.66
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCSCC1	REAL300020264629	1	48	-1.0	-42.30	385.27	9.67	-32.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020264630	0	45	-1.0	-51.01	380.33	5.06	-45.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020264630	1	45	-1.0	-51.01	380.27	5.04	-45.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020264631	0	42	-1.0	-51.74	362.65	4.41	-47.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020264631	1	42	-1.0	-51.71	362.59	4.39	-47.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020264632	0	52	-1.0	-40.65	413.14	10.89	-29.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020264632	1	52	-1.0	-40.67	413.20	10.91	-29.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020264633	0	49	-1.0	-42.62	402.58	9.96	-32.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020264633	1	49	-1.0	-42.60	402.53	9.93	-32.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020264634	0	43	-1.0	-43.50	368.77	8.23	-35.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020264634	1	43	-1.0	-43.48	368.83	8.25	-35.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020264635	0	40	-1.0	-43.65	350.31	7.58	-36.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020264635	1	40	-1.0	-43.61	350.26	7.55	-36.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020264636	0	50	-1.0	-42.61	424.11	9.59	-33.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020264636	1	50	-1.0	-42.64	424.06	9.57	-33.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020264637	0	47	-1.0	-44.81	400.22	8.92	-35.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020264637	1	47	-1.0	-44.76	400.16	8.90	-35.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020264638	0	49	-1.0	-43.42	389.40	9.30	-34.12
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020264638	1	49	-1.0	-43.39	389.46	9.32	-34.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020264639	0	46	-1.0	-43.10	368.40	8.60	-34.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020264639	1	46	-1.0	-43.11	368.45	8.63	-34.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020264640	0	46	-1.0	-47.86	376.76	7.05	-40.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020264640	1	46	-1.0	-47.85	376.81	7.07	-40.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020264641	0	43	-1.0	-49.15	356.58	6.26	-42.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020264641	1	43	-1.0	-49.18	356.64	6.28	-42.90
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C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CCC)C1	REAL300020264694	0	44	-1.0	-41.70	352.84	7.89	-33.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CCC)C1	REAL300020264694	1	44	-1.0	-41.69	352.89	7.90	-33.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CCC)C1	REAL300020264695	0	41	-1.0	-41.93	337.29	7.22	-34.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CCC)C1	REAL300020264695	1	41	-1.0	-41.89	337.23	7.19	-34.70
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(=CCC)C1	REAL300020264696	0	48	-1.0	-41.79	380.09	9.73	-32.06
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(=CCC)C1	REAL300020264696	1	48	-1.0	-41.75	380.12	9.73	-32.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020264697	0	45	-1.0	-46.70	380.57	2.09	-44.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020264697	1	45	-1.0	-46.75	380.63	2.11	-44.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020264698	0	42	-1.0	-50.16	354.89	1.13	-49.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020264698	1	42	-1.0	-50.14	354.94	1.16	-48.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020264699	0	47	-1.0	-40.66	377.30	4.80	-35.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020264699	1	47	-1.0	-40.66	377.35	4.82	-35.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020264700	0	44	-1.0	-42.33	354.21	3.95	-38.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020264700	1	44	-1.0	-42.29	354.17	3.92	-38.37
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020264701	0	51	-1.0	-43.40	407.16	6.78	-36.62
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020264701	1	51	-1.0	-43.40	407.20	6.77	-36.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020264702	0	43	-1.0	-40.67	354.57	7.61	-33.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020264702	1	43	-1.0	-40.74	354.63	7.63	-33.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020264703	0	40	-1.0	-45.79	339.28	6.83	-38.96
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020264703	1	40	-1.0	-45.79	339.22	6.80	-38.99
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(F)F)C1	REAL300020264704	0	47	-1.0	-45.79	380.73	9.41	-36.38
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(F)F)C1	REAL300020264704	1	47	-1.0	-45.74	380.75	9.40	-36.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020264705	0	50	0.0	-65.22	390.33	8.39	-56.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020264705	1	50	0.0	-67.97	376.67	8.72	-59.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020264705	1	50	0.0	-65.28	390.38	8.40	-56.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020264705	1	50	0.0	-67.97	376.73	8.73	-59.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020264706	0	47	0.0	-64.05	366.54	7.74	-56.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020264706	1	47	0.0	-67.83	367.33	7.90	-59.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020264706	1	47	0.0	-64.06	366.49	7.72	-56.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020264706	1	47	0.0	-67.83	367.27	7.89	-59.94
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020264707	0	54	0.0	-72.95	405.55	9.64	-63.31
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020264707	1	54	0.0	-72.87	406.11	10.70	-62.17
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020264707	1	54	0.0	-72.97	405.50	9.63	-63.34
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020264707	1	54	0.0	-72.90	406.11	10.71	-62.19
C#CCN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC=C)C=N1	REAL300020264708	0	39	-1.0	-50.32	346.00	8.07	-42.25
C#CCN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC=C)C=N1	REAL300020264708	1	39	-1.0	-50.33	345.95	8.06	-42.27
C#CCN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC=C)C=N1	REAL300020264709	0	36	-1.0	-51.51	328.32	7.43	-44.08
C#CCN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC=C)C=N1	REAL300020264709	1	36	-1.0	-51.49	328.26	7.41	-44.08
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC=C)C=N1	REAL300020264710	0	43	-1.0	-50.41	376.20	10.07	-40.34
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC=C)C=N1	REAL300020264710	1	43	-1.0	-50.41	376.16	10.08	-40.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020264711	0	54	0.0	-66.04	399.90	8.62	-57.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020264711	1	54	0.0	-66.08	399.95	8.64	-57.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020264712	0	51	0.0	-63.68	372.24	7.77	-55.91
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020264712	1	51	0.0	-63.73	372.29	7.79	-55.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C	REAL300020264713	0	52	-1.0	-49.57	415.02	5.76	-43.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C	REAL300020264713	1	52	-1.0	-49.54	415.07	5.78	-43.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020264714	0	50	-1.0	-39.51	385.15	8.73	-30.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020264714	1	50	-1.0	-39.44	385.20	8.75	-30.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020264715	0	47	-1.0	-45.06	344.29	7.38	-37.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020264715	1	47	-1.0	-45.08	344.23	7.36	-37.72
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020264716	0	54	-1.0	-42.48	398.87	9.98	-32.50
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020264716	1	54	-1.0	-42.45	398.89	9.97	-32.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCOC1	REAL300020264717	0	44	-1.0	-42.14	336.04	5.13	-37.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCOC1	REAL300020264717	1	44	-1.0	-42.21	336.09	5.15	-37.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCOC1	REAL300020264718	0	41	-1.0	-44.92	318.37	4.50	-40.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCOC1	REAL300020264718	1	41	-1.0	-44.91	318.31	4.48	-40.43
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CCOC1	REAL300020264719	0	48	-1.0	-43.87	367.32	7.20	-36.67
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CCOC1	REAL300020264719	1	48	-1.0	-43.87	367.36	7.18	-36.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020264720	0	50	-1.0	-39.89	381.99	9.03	-30.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020264720	1	50	-1.0	-39.91	382.05	9.05	-30.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020264721	0	47	-1.0	-46.09	359.40	8.20	-37.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020264721	1	47	-1.0	-46.11	359.35	8.18	-37.93
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(C)CCCC12	REAL300020264722	0	54	-1.0	-42.32	391.17	10.21	-32.11
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(C)CCCC12	REAL300020264722	1	54	-1.0	-42.34	391.19	10.20	-32.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020264723	0	49	-1.0	-47.19	408.10	5.44	-41.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020264723	1	49	-1.0	-47.18	408.15	5.45	-41.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020264724	0	46	-1.0	-47.32	384.88	4.82	-42.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020264724	1	46	-1.0	-47.32	384.93	4.84	-42.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020264725	0	50	-1.0	-40.27	404.33	9.73	-30.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020264725	1	50	-1.0	-40.27	404.38	9.75	-30.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020264726	0	47	-1.0	-42.99	378.88	9.53	-33.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020264726	1	47	-1.0	-42.94	378.84	9.50	-33.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(Br)SC=C1	REAL300020264727	0	37	-1.0	-42.80	355.21	7.24	-35.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(Br)SC=C1	REAL300020264727	1	37	-1.0	-42.81	355.25	7.26	-35.55
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020264728	0	43	-1.0	-43.76	374.18	6.77	-36.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020264728	1	43	-1.0	-43.76	374.23	6.79	-36.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020264729	0	40	-1.0	-46.35	360.08	5.73	-40.62
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020264729	1	40	-1.0	-46.36	360.03	5.70	-40.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOCCOC	REAL300020264730	0	50	-1.0	-40.66	408.52	5.60	-35.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOCCOC	REAL300020264730	1	50	-1.0	-40.68	408.58	5.62	-35.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOCCOC	REAL300020264731	0	47	-1.0	-44.70	380.07	4.48	-40.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOCCOC	REAL300020264731	1	47	-1.0	-44.71	380.13	4.50	-40.21
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCOCCOC	REAL300020264732	0	54	-1.0	-44.18	428.06	7.09	-37.09
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCOCCOC	REAL300020264732	1	54	-1.0	-44.19	428.10	7.09	-37.10
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264733	0	48	-1.0	-42.53	396.00	7.61	-34.92
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264733	1	48	-1.0	-42.54	396.06	7.62	-34.92
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020264734	0	45	-1.0	-42.83	366.18	6.51	-36.32
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020264734	1	45	-1.0	-42.78	366.12	6.49	-36.29
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020264735	0	52	-1.0	-47.95	405.15	4.76	-43.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020264735	1	52	-1.0	-47.92	405.20	4.78	-43.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020264736	0	49	-1.0	-51.46	379.73	4.06	-47.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020264736	1	49	-1.0	-51.43	379.77	4.08	-47.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020264737	0	52	-1.0	-39.85	409.37	7.48	-32.37
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020264737	1	52	-1.0	-39.82	409.43	7.49	-32.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020264738	0	49	-1.0	-42.65	380.77	6.39	-36.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020264738	1	49	-1.0	-42.64	380.83	6.41	-36.23
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020264739	0	56	-1.0	-41.97	428.76	9.00	-32.97
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020264739	1	56	-1.0	-41.94	428.80	9.00	-32.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020264740	0	50	-1.0	-46.03	406.48	7.08	-38.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020264740	1	50	-1.0	-46.00	406.53	7.10	-38.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020264741	0	47	-1.0	-48.81	382.66	6.41	-42.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020264741	1	47	-1.0	-48.81	382.70	6.43	-42.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)(C(=O)OC)CC1	REAL300020264742	0	53	-1.0	-47.74	421.20	6.79	-40.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)(C(=O)OC)CC1	REAL300020264742	1	53	-1.0	-47.67	421.26	6.82	-40.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C=C)C1	REAL300020264743	0	44	-1.0	-40.09	362.57	7.86	-32.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C=C)C1	REAL300020264743	1	44	-1.0	-40.10	362.63	7.87	-32.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C=C)C1	REAL300020264744	0	41	-1.0	-43.94	338.09	7.11	-36.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C=C)C1	REAL300020264744	1	41	-1.0	-43.92	338.03	7.10	-36.82
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C=C)C1	REAL300020264745	0	48	-1.0	-41.27	382.39	9.88	-31.39
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C=C)C1	REAL300020264745	1	48	-1.0	-41.31	382.41	9.85	-31.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020264746	0	52	-1.0	-39.22	408.22	7.98	-31.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020264746	1	52	-1.0	-39.24	408.28	8.00	-31.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020264747	0	49	-1.0	-40.76	382.82	7.30	-33.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020264747	1	49	-1.0	-40.78	382.87	7.32	-33.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020264748	0	50	-1.0	-39.89	377.80	6.88	-33.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020264748	1	50	-1.0	-39.89	377.86	6.90	-32.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020264749	0	47	-1.0	-41.43	359.61	6.14	-35.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020264749	1	47	-1.0	-41.40	359.56	6.12	-35.28
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020264750	0	54	-1.0	-42.58	404.55	8.80	-33.78
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020264750	1	54	-1.0	-42.60	404.58	8.79	-33.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020264751	0	42	-1.0	-40.80	346.99	4.12	-36.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020264751	1	42	-1.0	-40.83	347.04	4.14	-36.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020264752	0	39	-1.0	-42.83	325.53	3.36	-39.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020264752	1	39	-1.0	-42.83	325.48	3.34	-39.49
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020264753	0	46	-1.0	-43.96	386.34	6.05	-37.91
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020264753	1	46	-1.0	-43.92	386.40	6.04	-37.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020264754	0	50	0.0	-60.47	393.57	8.57	-51.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020264754	1	50	0.0	-61.68	390.76	8.58	-53.10
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020264754	1	49	-1.0	-40.42	387.55	6.27	-34.15
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020264754	1	49	-1.0	-40.43	387.60	6.29	-34.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020264755	0	47	0.0	-59.21	369.80	7.91	-51.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020264755	1	47	0.0	-62.08	366.22	7.83	-54.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020264755	1	47	0.0	-59.19	369.75	7.88	-51.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020264755	1	47	0.0	-62.03	366.16	7.82	-54.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020264755	1	46	-1.0	-41.43	364.65	5.49	-35.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020264755	1	46	-1.0	-41.42	364.60	5.47	-35.95
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020264756	0	54	0.0	-65.33	419.52	10.49	-54.84
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020264756	1	54	0.0	-64.86	416.83	10.51	-54.35
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020264756	1	53	-1.0	-41.10	397.93	7.48	-33.62
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020264756	1	53	-1.0	-41.13	397.95	7.46	-33.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020264757	0	52	-1.0	-39.80	412.39	5.76	-34.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020264757	1	52	-1.0	-39.83	412.45	5.77	-34.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020264758	0	49	-1.0	-42.93	376.57	4.43	-38.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020264758	1	49	-1.0	-42.96	376.63	4.45	-38.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(F)(F)Cl)C1	REAL300020264759	0	40	-1.0	-39.76	365.65	7.07	-32.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(F)(F)Cl)C1	REAL300020264759	1	40	-1.0	-39.73	365.70	7.09	-32.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020264760	0	52	-1.0	-42.31	417.56	9.25	-33.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020264760	1	52	-1.0	-42.32	417.62	9.27	-33.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020264761	0	49	-1.0	-43.04	391.87	8.53	-34.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020264761	1	49	-1.0	-43.03	391.92	8.55	-34.48
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020264762	0	47	-1.0	-41.04	393.49	10.28	-30.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020264762	1	47	-1.0	-41.07	393.55	10.29	-30.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020264763	0	44	-1.0	-41.82	374.52	9.57	-32.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020264763	1	44	-1.0	-41.83	374.47	9.55	-32.28
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020264764	0	54	-1.0	-44.91	424.34	9.97	-34.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020264764	1	54	-1.0	-44.93	424.40	9.98	-34.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020264765	0	51	-1.0	-49.36	402.97	9.21	-40.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020264765	1	51	-1.0	-49.36	402.91	9.19	-40.17
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020264766	0	43	-1.0	-38.56	366.97	7.47	-31.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020264766	1	43	-1.0	-38.58	367.02	7.49	-31.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020264767	0	40	-1.0	-42.17	335.19	6.00	-36.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020264767	1	40	-1.0	-42.17	335.24	6.01	-36.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020264768	0	46	-1.0	-42.45	356.21	8.31	-34.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020264768	1	46	-1.0	-42.46	356.26	8.32	-34.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020264769	0	43	-1.0	-42.58	327.11	7.46	-35.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020264769	1	43	-1.0	-42.58	327.17	7.47	-35.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020264770	0	56	-1.0	-40.37	420.35	10.08	-30.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020264770	1	56	-1.0	-40.35	420.41	10.10	-30.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020264771	0	53	-1.0	-43.67	398.86	9.30	-34.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020264771	1	53	-1.0	-43.68	398.92	9.32	-34.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020264772	0	47	-1.0	-45.10	410.23	11.76	-33.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020264772	1	47	-1.0	-45.10	410.18	11.74	-33.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020264773	0	44	-1.0	-48.23	388.67	10.98	-37.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020264773	1	44	-1.0	-48.22	388.62	10.95	-37.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020264774	0	40	-1.0	-41.79	331.10	6.60	-35.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020264774	1	40	-1.0	-41.78	331.16	6.62	-35.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020264775	0	37	-1.0	-44.34	309.80	6.04	-38.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020264775	1	37	-1.0	-44.37	309.74	6.01	-38.36
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1C	REAL300020264776	0	44	-1.0	-43.20	363.68	8.68	-34.52
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1C	REAL300020264776	1	44	-1.0	-43.18	363.75	8.68	-34.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020264777	0	44	-1.0	-40.67	365.37	8.44	-32.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020264777	1	44	-1.0	-40.68	365.32	8.43	-32.25
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264778	0	50	-1.0	-40.19	419.78	10.34	-29.85
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264778	1	50	-1.0	-40.21	419.84	10.36	-29.85
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020264779	0	47	-1.0	-43.69	394.76	9.88	-33.81
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020264779	1	47	-1.0	-43.67	394.71	9.86	-33.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020264780	0	47	-1.0	-44.90	397.84	10.93	-33.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020264780	1	47	-1.0	-44.93	397.78	10.92	-34.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020264781	0	44	-1.0	-46.47	380.15	10.29	-36.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020264781	1	44	-1.0	-46.46	380.10	10.26	-36.20
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020264782	0	55	-1.0	-37.69	409.42	9.00	-28.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020264782	1	55	-1.0	-37.69	409.48	9.02	-28.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020264783	0	52	-1.0	-40.52	389.98	8.24	-32.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020264783	1	52	-1.0	-40.53	390.04	8.27	-32.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020264784	0	47	-1.0	-39.43	371.27	8.52	-30.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020264784	1	47	-1.0	-39.44	371.33	8.54	-30.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020264785	0	44	-1.0	-43.01	350.42	7.78	-35.23
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020264785	1	44	-1.0	-43.02	350.36	7.75	-35.27
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020264786	0	51	-1.0	-42.07	399.08	10.47	-31.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020264786	1	51	-1.0	-41.97	399.16	10.46	-31.51
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(CC)C1	REAL300020264787	0	47	-1.0	-41.80	357.30	6.27	-35.53
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(CC)C1	REAL300020264787	1	47	-1.0	-41.83	357.36	6.28	-35.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(CC)C1	REAL300020264788	0	44	-1.0	-41.01	333.72	5.71	-35.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(CC)C1	REAL300020264788	1	44	-1.0	-41.02	333.67	5.69	-35.33
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC(CC)C1	REAL300020264789	0	51	-1.0	-42.15	393.33	8.91	-33.24
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC(CC)C1	REAL300020264789	1	51	-1.0	-42.12	393.39	8.90	-33.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020264790	0	56	-1.0	-39.48	401.56	10.40	-29.08
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020264790	1	56	-1.0	-39.47	401.62	10.41	-29.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020264791	0	53	-1.0	-41.93	380.41	10.01	-31.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020264791	1	53	-1.0	-41.94	380.46	10.03	-31.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020264792	0	52	-1.0	-53.26	412.98	5.88	-47.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020264792	1	52	-1.0	-53.27	413.03	5.89	-47.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020264793	0	49	-1.0	-54.41	380.08	5.27	-49.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020264793	1	49	-1.0	-54.41	380.14	5.29	-49.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020264794	0	44	-1.0	-39.31	344.56	5.31	-34.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020264794	1	44	-1.0	-39.30	344.62	5.32	-33.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020264795	0	41	-1.0	-41.03	336.39	5.18	-35.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020264795	1	41	-1.0	-41.01	336.34	5.16	-35.85
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020264796	0	48	-1.0	-41.70	382.81	7.97	-33.73
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020264796	1	48	-1.0	-41.64	382.85	7.96	-33.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020264797	0	47	-1.0	-43.42	394.85	10.26	-33.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020264797	1	47	-1.0	-43.46	394.90	10.28	-33.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020264798	0	44	-1.0	-41.93	360.03	7.98	-33.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020264798	1	44	-1.0	-41.90	360.00	7.97	-33.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020264799	0	51	-1.0	-41.69	379.65	9.73	-31.96
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020264799	1	51	-1.0	-41.67	379.71	9.75	-31.92
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020264800	0	48	-1.0	-45.49	366.80	9.23	-36.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020264800	1	48	-1.0	-45.53	366.75	9.21	-36.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(CCC(C)C)=NC=C2C1	REAL300020264801	0	54	-1.0	-44.41	426.40	8.70	-35.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(CCC(C)C)=NC=C2C1	REAL300020264801	1	54	-1.0	-44.44	426.46	8.73	-35.71
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)CC1	REAL300020264802	0	54	-1.0	-46.16	438.86	9.91	-36.25
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)CC1	REAL300020264802	1	54	-1.0	-46.14	438.91	9.92	-36.22
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)CC1	REAL300020264803	0	51	-1.0	-49.11	418.94	9.17	-39.94
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)CC1	REAL300020264803	1	51	-1.0	-49.10	419.00	9.19	-39.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020264804	0	48	-1.0	-46.11	398.64	2.81	-43.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020264804	1	48	-1.0	-46.11	398.70	2.83	-43.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020264805	0	45	-1.0	-48.00	378.78	2.12	-45.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020264805	1	45	-1.0	-47.99	378.84	2.14	-45.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020264806	0	46	-1.0	-42.70	390.33	9.18	-33.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020264806	1	46	-1.0	-42.67	390.39	9.20	-33.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020264807	0	43	-1.0	-43.84	371.60	8.51	-35.33
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020264807	1	43	-1.0	-43.87	371.54	8.48	-35.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020264808	0	49	-1.0	-42.68	392.97	1.32	-41.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020264808	1	49	-1.0	-42.71	393.03	1.33	-41.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020264809	0	46	-1.0	-44.36	372.55	0.75	-43.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020264809	1	46	-1.0	-44.39	372.61	0.78	-43.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020264810	0	41	-1.0	-38.81	346.56	6.03	-32.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020264810	1	41	-1.0	-38.80	346.62	6.05	-32.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020264811	0	38	-1.0	-41.02	325.09	5.27	-35.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020264811	1	38	-1.0	-40.98	325.03	5.25	-35.73
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC[C@H]1C	REAL300020264812	0	45	-1.0	-42.33	359.59	7.37	-34.96
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC[C@H]1C	REAL300020264812	1	45	-1.0	-42.33	359.61	7.35	-34.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)C[C@@H](C(C)(C)C)C1	REAL300020264813	0	55	-1.0	-42.14	411.33	8.13	-34.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)C[C@@H](C(C)(C)C)C1	REAL300020264813	1	55	-1.0	-42.12	411.38	8.14	-33.98
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC=C)CC1	REAL300020264814	0	51	-1.0	-46.99	414.62	8.96	-38.03
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)CC1	REAL300020264814	1	51	-1.0	-46.97	414.68	8.98	-37.99
C=CCCC1(C#N)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)CC1	REAL300020264815	0	48	-1.0	-49.60	394.69	8.23	-41.37
C=CCCC1(C#N)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)CC1	REAL300020264815	1	48	-1.0	-49.63	394.74	8.25	-41.38
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264816	0	50	-1.0	-41.57	404.73	9.52	-32.05
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264816	1	50	-1.0	-41.57	404.79	9.53	-32.04
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020264817	0	47	-1.0	-44.77	387.65	8.92	-35.85
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020264817	1	47	-1.0	-44.78	387.60	8.90	-35.88
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020264818	0	53	-1.0	-39.68	389.46	10.07	-29.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020264818	1	53	-1.0	-39.70	389.51	10.09	-29.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020264819	0	50	-1.0	-43.21	371.14	9.42	-33.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020264819	1	50	-1.0	-43.20	371.09	9.40	-33.80
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264820	0	47	-1.0	-41.47	389.75	8.92	-32.55
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264820	1	47	-1.0	-41.45	389.81	8.94	-32.51
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020264821	0	44	-1.0	-43.53	372.66	8.31	-35.22
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020264821	1	44	-1.0	-43.56	372.60	8.29	-35.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020264822	0	48	-1.0	-44.14	412.35	6.19	-37.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020264822	1	48	-1.0	-44.13	412.41	6.20	-37.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020264823	0	45	-1.0	-44.75	390.95	5.45	-39.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020264823	1	45	-1.0	-44.76	390.89	5.42	-39.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020264824	0	45	-1.0	-42.73	372.44	5.29	-37.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020264824	1	45	-1.0	-42.74	372.49	5.31	-37.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020264825	0	42	-1.0	-46.24	353.00	4.56	-41.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020264825	1	42	-1.0	-46.23	353.06	4.59	-41.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020264826	0	50	-1.0	-39.35	371.87	8.67	-30.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020264826	1	50	-1.0	-39.38	371.92	8.69	-30.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020264827	0	47	-1.0	-42.35	354.54	7.94	-34.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020264827	1	47	-1.0	-42.43	354.48	7.92	-34.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCCCC2C1	REAL300020264828	0	54	-1.0	-42.41	404.70	10.66	-31.75
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCCCC2C1	REAL300020264828	1	54	-1.0	-42.38	404.73	10.66	-31.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020264829	0	45	-1.0	-51.23	371.56	1.71	-49.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020264829	1	45	-1.0	-51.23	371.62	1.72	-49.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020264830	0	42	-1.0	-54.74	353.85	1.04	-53.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020264830	1	42	-1.0	-54.75	353.91	1.07	-53.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C2=CC=CC=C2)CC1	REAL300020264831	0	51	-1.0	-45.39	419.99	10.28	-35.11
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C2=CC=CC=C2)CC1	REAL300020264831	1	51	-1.0	-45.46	420.04	10.30	-35.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020264832	0	43	-1.0	-40.90	371.16	7.65	-33.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020264832	1	43	-1.0	-40.88	371.21	7.67	-33.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020264833	0	40	-1.0	-41.45	349.57	6.86	-34.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020264833	1	40	-1.0	-41.47	349.63	6.89	-34.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020264834	0	43	-1.0	-42.23	373.97	7.63	-34.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020264834	1	43	-1.0	-42.30	374.02	7.65	-34.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020264835	0	40	-1.0	-42.43	352.46	6.85	-35.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020264835	1	40	-1.0	-42.43	352.52	6.87	-35.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020264836	0	42	-1.0	-43.58	354.96	7.03	-36.55
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020264836	1	42	-1.0	-43.58	355.02	7.04	-36.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020264837	0	39	-1.0	-46.52	333.46	6.26	-40.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020264837	1	39	-1.0	-46.48	333.41	6.24	-40.24
C=CCN1C(NC2=NN3CCOCC3=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020264838	0	46	-1.0	-45.54	381.30	8.92	-36.62
C=CCN1C(NC2=NN3CCOCC3=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020264838	1	46	-1.0	-45.53	381.33	8.92	-36.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020264839	0	46	-1.0	-42.70	382.48	4.99	-37.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020264839	1	46	-1.0	-42.72	382.53	5.01	-37.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020264840	0	43	-1.0	-44.01	363.11	4.03	-39.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020264840	1	43	-1.0	-43.99	363.06	4.01	-39.98
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020264841	0	53	-1.0	-43.20	428.75	1.91	-41.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020264841	1	53	-1.0	-43.22	428.81	1.93	-41.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020264841	1	54	0.0	-66.54	429.59	4.25	-62.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020264842	0	50	-1.0	-45.71	408.61	1.15	-44.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020264842	1	50	-1.0	-45.69	408.67	1.19	-44.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020264842	1	51	0.0	-64.17	405.90	3.58	-60.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020264843	0	47	-1.0	-40.45	371.09	4.36	-36.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020264843	1	47	-1.0	-40.42	371.15	4.38	-36.04
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020264844	0	44	-1.0	-44.48	349.45	3.80	-40.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020264844	1	44	-1.0	-44.48	349.39	3.78	-40.70
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020264845	0	51	-1.0	-42.41	395.46	6.52	-35.89
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020264845	1	51	-1.0	-42.41	395.54	6.51	-35.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020264846	0	51	-1.0	-49.48	390.72	8.64	-40.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020264846	1	51	-1.0	-49.45	390.78	8.65	-40.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020264847	0	48	-1.0	-51.56	364.81	7.92	-43.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020264847	1	48	-1.0	-51.58	364.86	7.94	-43.64
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020264848	0	47	-1.0	-45.22	377.84	3.55	-41.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020264848	1	47	-1.0	-45.27	377.89	3.57	-41.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020264849	0	44	-1.0	-49.42	358.93	2.86	-46.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020264849	1	44	-1.0	-49.42	358.87	2.84	-46.58
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020264850	0	51	-1.0	-46.45	404.30	5.52	-40.93
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020264850	1	51	-1.0	-46.46	404.33	5.51	-40.95
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020264851	0	50	-1.0	-41.48	419.30	10.31	-31.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020264851	1	50	-1.0	-41.46	419.36	10.32	-31.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020264852	0	47	-1.0	-41.77	398.06	9.51	-32.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020264852	1	47	-1.0	-41.75	398.11	9.53	-32.22
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020264853	0	44	-1.0	-40.63	359.20	5.66	-34.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020264853	1	44	-1.0	-40.66	359.26	5.68	-34.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020264854	0	41	-1.0	-43.76	328.65	5.19	-38.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020264854	1	41	-1.0	-43.78	328.61	5.17	-38.61
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020264855	0	48	-1.0	-42.98	381.77	7.82	-35.16
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020264855	1	48	-1.0	-42.93	381.82	7.81	-35.12
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264856	0	42	-1.0	-43.68	341.02	7.34	-36.34
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264856	1	42	-1.0	-43.72	341.08	7.35	-36.37
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020264857	0	46	-1.0	-43.65	368.32	9.19	-34.46
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020264857	1	46	-1.0	-43.61	368.35	9.19	-34.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020264858	0	48	-1.0	-41.39	412.58	7.97	-33.42
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020264858	1	48	-1.0	-41.35	412.64	7.99	-33.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020264859	0	45	-1.0	-43.85	391.13	7.21	-36.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020264859	1	45	-1.0	-43.81	391.07	7.19	-36.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020264860	0	46	-1.0	-41.81	398.75	9.30	-32.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020264860	1	46	-1.0	-41.88	398.80	9.31	-32.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020264861	0	43	-1.0	-44.88	377.00	8.52	-36.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020264861	1	43	-1.0	-44.90	377.06	8.54	-36.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020264862	0	50	-1.0	-43.18	400.31	5.78	-37.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020264862	1	50	-1.0	-43.13	400.36	5.80	-37.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020264863	0	47	-1.0	-46.19	377.81	4.90	-41.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020264863	1	47	-1.0	-46.19	377.75	4.88	-41.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020264864	0	48	-1.0	-48.38	388.01	3.87	-44.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020264864	1	48	-1.0	-48.41	388.07	3.89	-44.52
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020264865	0	45	-1.0	-50.26	365.20	3.21	-47.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020264865	1	45	-1.0	-50.28	365.27	3.24	-47.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020264866	0	42	-1.0	-38.51	391.51	7.68	-30.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020264866	1	42	-1.0	-38.51	391.57	7.69	-30.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020264867	0	39	-1.0	-41.99	363.57	6.48	-35.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020264867	1	39	-1.0	-41.98	363.62	6.50	-35.48
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC=C	REAL300020264868	0	47	-1.0	-40.33	401.45	9.30	-31.03
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC=C	REAL300020264868	1	47	-1.0	-40.31	401.50	9.31	-31.00
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC=C	REAL300020264869	0	44	-1.0	-42.64	373.19	8.26	-34.38
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC=C	REAL300020264869	1	44	-1.0	-42.66	373.13	8.23	-34.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020264870	0	51	-1.0	-41.51	405.08	4.26	-37.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020264870	1	51	-1.0	-41.52	405.14	4.28	-37.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020264871	0	48	-1.0	-43.65	373.86	2.83	-40.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020264871	1	48	-1.0	-43.58	373.91	2.85	-40.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020264872	0	52	0.0	-61.50	418.83	7.24	-54.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020264872	1	52	0.0	-61.47	418.77	7.23	-54.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020264873	0	49	0.0	-61.11	395.16	6.58	-54.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020264873	1	49	0.0	-61.10	395.11	6.56	-54.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020264874	0	47	-1.0	-40.31	374.23	9.15	-31.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020264874	1	47	-1.0	-40.34	374.29	9.16	-31.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020264875	0	44	-1.0	-42.48	350.14	8.55	-33.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020264875	1	44	-1.0	-42.49	350.18	8.56	-33.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020264876	0	51	-1.0	-43.74	411.42	7.30	-36.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020264876	1	51	-1.0	-43.75	411.45	7.32	-36.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020264877	0	48	-1.0	-46.52	389.39	6.70	-39.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020264877	1	48	-1.0	-46.50	389.31	6.69	-39.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020264878	0	53	-1.0	-40.26	404.88	5.68	-34.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020264878	1	53	-1.0	-40.25	404.94	5.69	-34.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020264879	0	50	-1.0	-41.80	381.79	4.80	-37.00
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020264879	1	50	-1.0	-41.83	381.84	4.82	-37.01
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020264880	0	54	-1.0	-43.17	434.83	8.03	-35.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020264880	1	54	-1.0	-43.20	434.88	8.04	-35.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020264881	0	51	-1.0	-43.98	407.92	7.16	-36.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020264881	1	51	-1.0	-43.97	407.98	7.18	-36.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020264882	0	46	-1.0	-43.41	380.45	3.44	-39.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020264882	1	46	-1.0	-43.43	380.51	3.46	-39.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020264883	0	43	-1.0	-45.84	344.48	2.17	-43.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020264883	1	43	-1.0	-45.85	344.42	2.14	-43.71
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020264884	0	50	-1.0	-45.31	402.23	5.29	-40.02
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020264884	1	50	-1.0	-45.34	402.23	5.28	-40.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020264885	0	51	-1.0	-42.68	409.70	10.82	-31.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020264885	1	51	-1.0	-42.60	409.75	10.83	-31.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020264886	0	48	-1.0	-44.17	386.37	10.33	-33.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020264886	1	48	-1.0	-44.15	386.32	10.32	-33.83
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020264887	0	47	-1.0	-42.48	392.10	9.53	-32.95
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020264887	1	47	-1.0	-42.50	392.15	9.56	-32.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC(C)(C)C)C1	REAL300020264888	0	53	-1.0	-47.69	421.79	7.70	-39.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC(C)(C)C)C1	REAL300020264888	1	53	-1.0	-47.65	421.85	7.72	-39.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NC(=O)CC(F)(F)F)C1	REAL300020264889	0	47	-1.0	-54.14	384.17	5.07	-49.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NC(=O)CC(F)(F)F)C1	REAL300020264889	1	47	-1.0	-54.21	384.22	5.08	-49.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020264890	0	41	-1.0	-42.28	341.42	7.44	-34.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020264890	1	41	-1.0	-42.24	341.46	7.46	-34.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020264891	0	38	-1.0	-41.88	325.93	6.68	-35.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020264891	1	38	-1.0	-41.86	325.87	6.65	-35.21
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020264892	0	45	-1.0	-44.03	369.90	9.42	-34.61
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020264892	1	45	-1.0	-44.03	369.91	9.41	-34.62
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020264893	0	45	-1.0	-39.24	361.58	6.36	-32.88
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020264893	1	45	-1.0	-39.20	361.64	6.37	-32.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020264894	0	42	-1.0	-42.17	341.73	5.67	-36.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020264894	1	42	-1.0	-42.13	341.67	5.65	-36.48
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020264895	0	49	-1.0	-42.58	390.51	8.53	-34.05
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020264895	1	49	-1.0	-42.60	390.56	8.52	-34.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020264896	0	49	-1.0	-51.23	393.22	4.37	-46.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020264896	1	49	-1.0	-51.27	393.28	4.39	-46.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020264897	0	46	-1.0	-53.33	371.72	3.59	-49.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020264897	1	46	-1.0	-53.33	371.78	3.61	-49.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020264898	0	53	-1.0	-39.27	394.11	8.88	-30.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020264898	1	53	-1.0	-39.29	394.16	8.90	-30.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020264899	0	50	-1.0	-42.13	363.98	8.67	-33.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020264899	1	50	-1.0	-42.12	364.03	8.68	-33.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020264900	0	48	-1.0	-40.60	375.17	8.32	-32.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020264900	1	48	-1.0	-40.57	375.23	8.33	-32.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020264901	0	45	-1.0	-41.48	348.48	7.65	-33.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020264901	1	45	-1.0	-41.48	348.52	7.67	-33.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCCCCC)C1	REAL300020264902	0	58	-1.0	-40.41	452.20	11.22	-29.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCCCCC)C1	REAL300020264902	1	58	-1.0	-40.38	452.25	11.23	-29.15
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCCCCC)C1	REAL300020264903	0	55	-1.0	-42.48	430.79	10.43	-32.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCCCCC)C1	REAL300020264903	1	55	-1.0	-42.49	430.85	10.46	-32.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCCC)C1	REAL300020264904	0	52	-1.0	-40.55	409.20	9.66	-30.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCCC)C1	REAL300020264904	1	52	-1.0	-40.52	409.25	9.67	-30.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCCC)C1	REAL300020264905	0	49	-1.0	-42.54	387.85	8.90	-33.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCCC)C1	REAL300020264905	1	49	-1.0	-42.55	387.80	8.87	-33.68
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CCCC)C1	REAL300020264906	0	56	-1.0	-40.98	433.94	11.61	-29.37
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CCCC)C1	REAL300020264906	1	56	-1.0	-40.91	433.96	11.60	-29.31
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020264907	0	55	-1.0	-41.48	427.97	8.68	-32.80
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020264907	1	55	-1.0	-41.52	428.03	8.70	-32.82
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020264908	0	52	-1.0	-43.95	404.23	8.01	-35.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020264908	1	52	-1.0	-43.98	404.28	8.04	-35.94
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020264909	0	53	-1.0	-45.98	417.39	7.58	-38.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020264909	1	53	-1.0	-46.05	417.45	7.59	-38.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020264910	0	50	-1.0	-48.09	392.58	6.91	-41.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020264910	1	50	-1.0	-48.07	392.62	6.93	-41.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020264911	0	49	-1.0	-41.18	381.47	7.48	-33.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020264911	1	49	-1.0	-41.17	381.52	7.49	-33.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020264912	0	46	-1.0	-43.40	367.78	6.75	-36.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020264912	1	46	-1.0	-43.42	367.72	6.73	-36.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020264913	0	52	-1.0	-43.34	413.08	3.43	-39.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020264913	1	52	-1.0	-43.37	413.14	3.45	-39.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020264914	0	49	-1.0	-44.58	394.36	2.73	-41.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020264914	1	49	-1.0	-44.56	394.42	2.76	-41.80
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020264915	0	48	-1.0	-41.54	385.31	7.26	-34.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020264915	1	48	-1.0	-41.47	385.37	7.28	-34.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020264916	0	45	-1.0	-42.22	368.25	6.87	-35.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020264916	1	45	-1.0	-42.24	368.31	6.89	-35.35
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020264917	0	52	-1.0	-42.04	412.30	9.34	-32.70
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020264917	1	52	-1.0	-42.05	412.32	9.33	-32.72
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020264918	0	50	-1.0	-44.75	421.03	8.26	-36.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020264918	1	50	-1.0	-44.73	421.09	8.27	-36.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020264919	0	47	-1.0	-47.14	401.78	7.33	-39.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020264919	1	47	-1.0	-47.15	401.72	7.30	-39.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC)C1	REAL300020264920	0	43	-1.0	-43.22	344.81	7.19	-36.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC)C1	REAL300020264920	1	43	-1.0	-43.23	344.87	7.20	-36.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC)C1	REAL300020264921	0	40	-1.0	-46.42	327.79	6.67	-39.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC)C1	REAL300020264921	1	40	-1.0	-46.39	327.73	6.65	-39.74
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(CC)C1	REAL300020264922	0	47	-1.0	-43.06	376.66	9.26	-33.80
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(CC)C1	REAL300020264922	1	47	-1.0	-43.05	376.71	9.26	-33.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC)(OCC)CC1	REAL300020264923	0	54	-1.0	-40.71	426.42	7.51	-33.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC)(OCC)CC1	REAL300020264923	1	54	-1.0	-40.71	426.48	7.52	-33.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC)(OCC)CC1	REAL300020264924	0	51	-1.0	-41.25	400.69	6.78	-34.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC)(OCC)CC1	REAL300020264924	1	51	-1.0	-41.26	400.73	6.81	-34.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2(C(=O)OC)CCC2)CC1	REAL300020264925	0	54	-1.0	-42.25	428.11	8.68	-33.57
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2(C(=O)OC)CCC2)CC1	REAL300020264925	1	54	-1.0	-42.27	428.17	8.69	-33.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2(C(=O)OC)CCC2)CC1	REAL300020264926	0	51	-1.0	-44.84	407.65	7.96	-36.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2(C(=O)OC)CCC2)CC1	REAL300020264926	1	51	-1.0	-44.84	407.70	7.99	-36.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C(=O)OC)CCC2)CC1	REAL300020264927	0	53	-1.0	-43.29	401.06	8.99	-34.30
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C(=O)OC)CCC2)CC1	REAL300020264927	1	53	-1.0	-43.34	401.11	9.01	-34.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020264928	0	41	-1.0	-39.46	337.48	7.32	-32.14
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020264928	1	41	-1.0	-39.46	337.54	7.34	-32.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020264929	0	38	-1.0	-43.19	310.15	6.49	-36.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020264929	1	38	-1.0	-43.18	310.10	6.47	-36.71
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020264930	0	45	-1.0	-42.68	361.75	9.03	-33.65
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020264930	1	45	-1.0	-42.66	361.77	9.01	-33.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020264931	0	45	-1.0	-39.47	363.47	5.83	-33.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020264931	1	45	-1.0	-39.48	363.53	5.85	-33.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020264932	0	42	-1.0	-43.05	343.65	5.11	-37.94
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020264932	1	42	-1.0	-43.04	343.59	5.08	-37.96
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020264933	0	49	-1.0	-43.36	384.08	7.86	-35.50
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020264933	1	49	-1.0	-43.36	384.14	7.86	-35.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020264934	0	47	-1.0	-45.13	390.81	6.30	-38.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020264934	1	47	-1.0	-45.09	390.86	6.31	-38.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020264935	0	44	-1.0	-44.68	369.09	5.50	-39.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020264935	1	44	-1.0	-44.64	369.15	5.53	-39.11
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020264936	0	53	-1.0	-41.30	411.54	7.95	-33.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020264936	1	53	-1.0	-41.27	411.60	7.97	-33.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020264937	0	50	-1.0	-44.73	390.05	7.16	-37.57
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020264937	1	50	-1.0	-44.75	390.11	7.18	-37.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020264938	0	53	-1.0	-40.92	417.23	8.03	-32.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020264938	1	53	-1.0	-40.90	417.29	8.05	-32.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020264939	0	50	-1.0	-45.62	392.50	7.16	-38.46
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020264939	1	50	-1.0	-45.60	392.55	7.18	-38.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020264940	0	53	-1.0	-41.15	419.44	7.99	-33.16
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020264940	1	53	-1.0	-41.10	419.50	8.00	-33.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020264941	0	50	-1.0	-49.65	393.00	8.07	-41.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020264941	1	50	-1.0	-49.66	393.05	8.10	-41.56
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020264942	0	44	-1.0	-42.26	367.72	7.43	-34.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020264942	1	44	-1.0	-42.29	367.78	7.44	-34.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020264943	0	41	-1.0	-42.06	342.28	6.48	-35.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020264943	1	41	-1.0	-42.03	342.23	6.47	-35.56
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020264944	0	48	-1.0	-45.68	394.01	9.25	-36.43
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020264944	1	48	-1.0	-45.65	394.04	9.26	-36.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020264945	0	46	-1.0	-42.54	380.70	10.18	-32.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020264945	1	46	-1.0	-42.52	380.76	10.19	-32.33
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020264946	0	43	-1.0	-47.87	363.50	9.56	-38.31
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C#CCC1(C(=O)OC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC=C)C1	REAL300020264960	1	51	-1.0	-42.91	421.84	9.76	-33.15
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC=C)C1	REAL300020264961	0	48	-1.0	-44.82	394.07	8.97	-35.85
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC=C)C1	REAL300020264961	1	48	-1.0	-44.81	394.11	8.98	-35.83
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C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020264964	1	43	-1.0	-39.63	371.54	8.29	-31.34
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C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020264965	1	40	-1.0	-41.92	349.98	7.50	-34.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020264966	0	48	-1.0	-43.49	387.03	7.29	-36.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020264966	1	48	-1.0	-43.52	387.09	7.30	-36.22
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C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020264968	1	51	-1.0	-47.03	420.26	8.76	-38.27
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C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020264969	1	47	-1.0	-40.77	394.22	7.69	-33.08
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C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020264970	1	44	-1.0	-43.21	372.54	6.90	-36.31
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C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020264971	1	46	-1.0	-40.47	375.95	8.25	-32.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020264972	0	43	-1.0	-43.18	352.07	7.57	-35.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020264972	1	43	-1.0	-43.23	352.11	7.58	-35.65
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C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC(OC)=C2F)C1	REAL300020264975	1	51	-1.0	-45.39	418.28	8.90	-36.49
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C(OC)=C2)C1	REAL300020264976	0	51	-1.0	-44.59	420.20	8.72	-35.87
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C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020264978	0	42	-1.0	-47.96	351.19	4.17	-43.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020264978	1	42	-1.0	-48.00	351.13	4.15	-43.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020264979	0	44	-1.0	-39.90	354.15	8.08	-31.82
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C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020264985	0	45	-1.0	-49.82	386.26	7.95	-41.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020264985	1	45	-1.0	-49.84	386.32	7.97	-41.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020264986	0	42	-1.0	-49.44	361.04	7.27	-42.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020264986	1	42	-1.0	-49.43	361.09	7.28	-42.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020264987	0	50	-1.0	-39.62	364.21	9.93	-29.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020264987	1	50	-1.0	-39.58	364.27	9.95	-29.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020264988	0	47	-1.0	-40.97	353.03	8.23	-32.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020264988	1	47	-1.0	-40.91	352.98	8.21	-32.70
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020264989	0	54	-1.0	-41.85	391.69	11.84	-30.01
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020264989	1	54	-1.0	-41.81	391.72	11.83	-29.98
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C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020264991	0	43	-1.0	-44.11	354.47	6.66	-37.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020264991	1	43	-1.0	-44.16	354.53	6.67	-37.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020264992	0	40	-1.0	-47.54	330.43	6.07	-41.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020264992	1	40	-1.0	-47.53	330.38	6.06	-41.47
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020264993	0	47	-1.0	-45.76	383.28	8.64	-37.12
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020264993	1	47	-1.0	-45.70	383.32	8.63	-37.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020264994	0	43	-1.0	-44.11	354.47	6.66	-37.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020264994	1	43	-1.0	-44.16	354.53	6.67	-37.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020264995	0	40	-1.0	-47.54	330.43	6.07	-41.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020264995	1	40	-1.0	-47.53	330.38	6.06	-41.47
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020264996	0	47	-1.0	-45.76	383.28	8.64	-37.12
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020264996	1	47	-1.0	-45.70	383.32	8.63	-37.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1C	REAL300020264997	0	52	-1.0	-43.09	422.63	5.87	-37.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1C	REAL300020264997	1	52	-1.0	-43.09	422.69	5.89	-37.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1C	REAL300020264998	0	49	-1.0	-43.11	396.99	5.12	-37.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1C	REAL300020264998	1	49	-1.0	-43.12	396.94	5.11	-38.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C(C(=O)OCC)=NN2C	REAL300020264999	0	50	-1.0	-49.45	423.83	7.26	-42.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C(C(=O)OCC)=NN2C	REAL300020264999	1	50	-1.0	-49.47	423.88	7.29	-42.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020265000	0	45	-1.0	-41.01	362.51	3.83	-37.18
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020265000	1	45	-1.0	-40.99	362.57	3.84	-37.15
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020265001	0	42	-1.0	-41.78	341.07	3.07	-38.71
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020265001	1	42	-1.0	-41.78	341.02	3.04	-38.74
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020265002	0	49	-1.0	-43.15	395.35	5.53	-37.62
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020265002	1	49	-1.0	-43.18	395.39	5.52	-37.66
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020265003	0	40	-1.0	-38.60	332.55	6.56	-32.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020265003	1	40	-1.0	-38.63	332.60	6.57	-32.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020265004	0	37	-1.0	-41.23	315.30	6.02	-35.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020265004	1	37	-1.0	-41.25	315.23	5.99	-35.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(F)(F)CC1C	REAL300020265005	0	44	-1.0	-40.80	365.03	8.91	-31.89
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(F)(F)CC1C	REAL300020265005	1	44	-1.0	-40.79	365.06	8.89	-31.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020265006	0	46	-1.0	-41.15	383.01	7.85	-33.30
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020265006	1	46	-1.0	-41.15	383.07	7.86	-33.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020265007	0	43	-1.0	-42.83	359.33	7.20	-35.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020265007	1	43	-1.0	-42.84	359.28	7.17	-35.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020265008	0	51	-1.0	-41.04	409.70	7.12	-33.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020265008	1	51	-1.0	-41.07	409.75	7.13	-33.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020265009	0	48	-1.0	-44.55	385.53	6.01	-38.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020265009	1	48	-1.0	-44.60	385.46	5.99	-38.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020265010	0	50	-1.0	-43.84	390.25	4.39	-39.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020265010	1	50	-1.0	-43.80	390.31	4.41	-39.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020265011	0	47	-1.0	-50.49	366.61	3.64	-46.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020265011	1	47	-1.0	-50.53	366.65	3.67	-46.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020265012	0	45	-1.0	-41.49	392.88	9.05	-32.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020265012	1	45	-1.0	-41.51	392.94	9.07	-32.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020265013	0	42	-1.0	-42.79	371.33	8.29	-34.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020265013	1	42	-1.0	-42.79	371.26	8.27	-34.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020265014	0	51	-1.0	-41.15	405.09	5.80	-35.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020265014	1	51	-1.0	-41.14	405.14	5.82	-35.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020265015	0	48	-1.0	-44.75	384.20	5.03	-39.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020265015	1	48	-1.0	-44.73	384.25	5.06	-39.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1C	REAL300020265016	0	51	-1.0	-44.29	407.07	8.63	-35.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1C	REAL300020265016	1	51	-1.0	-44.28	407.12	8.65	-35.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC	REAL300020265017	0	49	-1.0	-39.64	384.89	7.81	-31.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC	REAL300020265017	1	49	-1.0	-39.67	384.95	7.83	-31.84
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC	REAL300020265018	0	46	-1.0	-42.70	362.97	6.70	-36.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC	REAL300020265018	1	46	-1.0	-42.69	362.92	6.68	-36.01
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CCCC	REAL300020265019	0	53	-1.0	-42.57	414.41	9.82	-32.75
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CCCC	REAL300020265019	1	53	-1.0	-42.54	414.45	9.81	-32.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020265020	0	51	-1.0	-46.60	409.59	7.20	-39.40
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020265020	1	51	-1.0	-46.61	409.65	7.22	-39.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020265021	0	48	-1.0	-47.60	384.95	6.34	-41.26
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020265021	1	48	-1.0	-47.59	385.01	6.36	-41.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020265022	0	45	-1.0	-41.01	354.18	8.53	-32.48
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020265022	1	45	-1.0	-40.98	354.24	8.54	-32.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020265023	0	42	-1.0	-43.85	332.75	7.77	-36.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020265023	1	42	-1.0	-43.87	332.69	7.74	-36.13
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020265024	0	49	-1.0	-43.02	377.67	10.43	-32.59
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020265024	1	49	-1.0	-43.02	377.71	10.42	-32.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020265025	0	50	-1.0	-40.61	417.43	8.74	-31.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020265025	1	50	-1.0	-40.63	417.49	8.75	-31.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020265026	0	47	-1.0	-42.97	387.28	8.34	-34.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020265026	1	47	-1.0	-42.96	387.33	8.36	-34.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020265027	0	51	-1.0	-39.65	415.65	10.90	-28.75
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020265027	1	51	-1.0	-39.61	415.70	10.91	-28.70
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020265028	0	48	-1.0	-42.44	397.51	10.24	-32.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020265028	1	48	-1.0	-42.44	397.45	10.21	-32.23
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020265029	0	52	-1.0	-46.84	423.79	8.71	-38.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020265029	1	52	-1.0	-46.88	423.85	8.72	-38.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020265030	0	49	-1.0	-49.47	402.84	7.74	-41.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020265030	1	49	-1.0	-49.49	402.90	7.76	-41.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020265031	0	45	-1.0	-46.64	373.90	2.69	-43.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020265031	1	45	-1.0	-46.66	373.96	2.70	-43.96
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020265032	0	42	-1.0	-46.87	355.67	1.96	-44.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020265032	1	42	-1.0	-46.84	355.61	1.94	-44.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020265033	0	45	-1.0	-46.13	364.42	9.75	-36.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020265033	1	45	-1.0	-46.10	364.48	9.76	-36.34
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020265034	0	42	-1.0	-49.93	338.15	9.09	-40.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020265034	1	42	-1.0	-49.92	338.10	9.06	-40.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020265035	0	46	-1.0	-43.42	374.18	7.33	-36.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020265035	1	46	-1.0	-43.43	374.23	7.35	-36.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020265036	0	43	-1.0	-47.09	355.25	6.64	-40.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020265036	1	43	-1.0	-47.12	355.19	6.62	-40.50
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020265037	0	50	-1.0	-45.39	402.93	9.28	-36.11
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020265037	1	50	-1.0	-45.34	402.86	9.27	-36.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020265038	0	40	-1.0	-39.86	332.29	6.51	-33.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020265038	1	40	-1.0	-39.90	332.35	6.52	-33.38
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020265039	0	37	-1.0	-42.94	306.55	5.81	-37.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020265039	1	37	-1.0	-42.94	306.49	5.79	-37.15
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020265040	0	44	-1.0	-40.98	362.35	8.59	-32.39
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020265040	1	44	-1.0	-40.96	362.39	8.58	-32.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020265041	0	49	-1.0	-43.96	373.06	7.23	-36.73
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020265041	1	49	-1.0	-43.97	373.11	7.24	-36.73
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020265042	0	46	-1.0	-43.31	360.45	7.25	-36.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020265042	1	46	-1.0	-43.29	360.40	7.24	-36.05
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020265043	0	51	-1.0	-40.07	381.84	8.12	-31.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020265043	1	51	-1.0	-40.11	381.90	8.13	-31.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020265044	0	48	-1.0	-45.40	365.73	6.72	-38.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020265044	1	48	-1.0	-45.43	365.78	6.74	-38.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020265045	0	44	-1.0	-48.22	376.74	6.70	-41.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020265045	1	44	-1.0	-48.22	376.79	6.72	-41.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020265046	0	41	-1.0	-46.81	360.25	5.77	-41.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020265046	1	41	-1.0	-46.77	360.20	5.75	-41.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020265047	0	56	-1.0	-40.65	414.24	12.15	-28.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020265047	1	56	-1.0	-40.62	414.30	12.16	-28.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020265048	0	53	-1.0	-46.37	387.45	11.30	-35.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020265048	1	53	-1.0	-46.40	387.51	11.33	-35.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020265049	0	50	-1.0	-44.51	414.45	4.95	-39.56
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020265049	1	50	-1.0	-44.53	414.51	4.97	-39.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020265050	0	47	-1.0	-45.68	390.72	4.28	-41.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020265050	1	47	-1.0	-45.73	390.77	4.30	-41.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020265051	0	45	-1.0	-43.81	368.38	6.09	-37.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020265051	1	45	-1.0	-43.82	368.44	6.11	-37.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020265052	0	42	-1.0	-52.03	339.82	4.16	-47.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020265052	1	42	-1.0	-52.02	339.76	4.13	-47.89
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020265053	0	49	-1.0	-50.49	392.94	7.38	-43.11
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020265053	1	49	-1.0	-50.49	392.99	7.37	-43.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(=C)C1	REAL300020265054	0	41	-1.0	-40.99	332.27	7.04	-33.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(=C)C1	REAL300020265054	1	41	-1.0	-41.02	332.33	7.05	-33.97
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(=C)C1	REAL300020265055	0	45	-1.0	-42.61	363.58	9.11	-33.50
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(=C)C1	REAL300020265055	1	45	-1.0	-42.57	363.65	9.10	-33.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(OC)C(C)=C2)C1	REAL300020265056	0	54	-1.0	-43.39	434.05	9.40	-33.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(OC)C(C)=C2)C1	REAL300020265056	1	54	-1.0	-43.35	434.11	9.42	-33.93
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020265057	0	45	-1.0	-42.38	376.25	2.68	-39.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020265057	1	45	-1.0	-42.36	376.31	2.70	-39.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020265058	0	42	-1.0	-47.14	345.00	1.69	-45.45
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020265058	1	42	-1.0	-47.14	344.95	1.68	-45.46
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020265059	0	44	-1.0	-43.83	355.44	5.86	-37.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020265059	1	44	-1.0	-43.84	355.49	5.87	-37.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020265060	0	41	-1.0	-43.99	337.85	5.15	-38.84
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020265060	1	41	-1.0	-43.98	337.80	5.12	-38.86
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020265061	0	48	-1.0	-44.80	388.03	7.95	-36.85
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020265061	1	48	-1.0	-44.78	388.07	7.94	-36.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020265062	0	46	-1.0	-40.94	367.73	4.44	-36.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020265062	1	46	-1.0	-40.99	367.79	4.45	-36.54
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020265063	0	43	-1.0	-42.85	351.12	3.67	-39.18
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020265063	1	43	-1.0	-42.85	351.08	3.65	-39.20
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020265064	0	50	-1.0	-42.92	396.63	6.44	-36.48
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020265064	1	50	-1.0	-42.79	397.69	6.39	-36.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020265065	0	51	-1.0	-43.83	416.06	6.76	-37.07
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020265065	1	51	-1.0	-43.83	416.12	6.77	-37.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020265066	0	48	-1.0	-46.94	392.26	6.09	-40.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020265066	1	48	-1.0	-46.98	392.31	6.10	-40.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(C)C(OC)=C2)C1	REAL300020265067	0	54	-1.0	-43.28	434.06	9.40	-33.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(C)C(OC)=C2)C1	REAL300020265067	1	54	-1.0	-43.29	434.12	9.42	-33.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300020265068	0	49	-1.0	-49.40	395.65	6.98	-42.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300020265068	1	49	-1.0	-49.42	395.70	7.01	-42.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020265069	0	52	-1.0	-43.55	411.11	3.69	-39.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020265069	1	52	-1.0	-43.51	411.16	3.71	-39.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020265070	0	49	-1.0	-44.61	394.14	2.74	-41.87
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020265070	1	49	-1.0	-44.61	394.20	2.76	-41.85
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1C	REAL300020265071	0	47	-1.0	-42.77	384.06	9.37	-33.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1C	REAL300020265071	1	47	-1.0	-42.83	384.12	9.40	-33.43
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020265072	0	51	-1.0	-44.54	423.19	7.57	-36.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020265072	1	51	-1.0	-44.53	423.24	7.58	-36.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020265073	0	48	-1.0	-45.06	401.30	6.75	-38.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020265073	1	48	-1.0	-45.12	401.36	6.78	-38.34
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020265074	0	50	-1.0	-48.12	401.90	4.71	-43.41
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020265074	1	50	-1.0	-48.14	401.95	4.72	-43.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020265075	0	47	-1.0	-49.27	376.45	3.99	-45.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020265075	1	47	-1.0	-49.25	376.50	4.01	-45.24
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1Cl	REAL300020265076	0	50	-1.0	-42.11	416.43	11.44	-30.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1Cl	REAL300020265076	1	50	-1.0	-42.16	416.49	11.45	-30.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1Cl	REAL300020265077	0	47	-1.0	-44.26	397.20	10.48	-33.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1Cl	REAL300020265077	1	47	-1.0	-44.24	397.14	10.46	-33.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020265078	0	45	-1.0	-41.10	382.09	6.17	-34.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020265078	1	45	-1.0	-41.08	382.14	6.18	-34.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020265079	0	42	-1.0	-45.42	350.09	5.32	-40.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020265079	1	42	-1.0	-45.44	350.03	5.29	-40.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020265080	0	51	-1.0	-44.57	419.99	7.47	-37.10
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020265080	1	51	-1.0	-44.55	420.04	7.48	-37.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020265081	0	48	-1.0	-45.28	399.74	6.72	-38.56
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020265081	1	48	-1.0	-45.28	399.80	6.75	-38.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(Br)N=C2C1	REAL300020265082	0	37	-1.0	-41.89	330.42	5.58	-36.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(Br)N=C2C1	REAL300020265082	1	37	-1.0	-41.90	330.48	5.60	-36.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020265083	0	46	-1.0	-39.53	377.40	8.03	-31.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020265083	1	46	-1.0	-39.52	377.46	8.05	-31.47
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020265084	0	43	-1.0	-39.78	356.09	7.26	-32.52
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020265084	1	43	-1.0	-39.79	356.14	7.28	-32.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020265085	0	51	-1.0	-43.09	403.94	7.97	-35.12
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020265085	1	51	-1.0	-43.13	403.88	7.96	-35.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020265086	0	48	-1.0	-45.65	377.42	7.31	-38.34
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020265086	1	48	-1.0	-45.61	377.37	7.29	-38.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020265087	0	50	-1.0	-39.55	401.55	8.61	-30.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020265087	1	50	-1.0	-39.60	401.61	8.62	-30.98
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020265088	0	47	-1.0	-41.79	381.61	7.86	-33.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020265088	1	47	-1.0	-41.80	381.67	7.89	-33.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020265089	0	52	-1.0	-49.23	412.73	5.56	-43.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020265089	1	52	-1.0	-49.24	412.78	5.57	-43.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020265090	0	49	-1.0	-53.97	392.83	4.80	-49.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020265090	1	49	-1.0	-53.96	392.89	4.83	-49.13
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020265091	0	49	-1.0	-53.42	394.33	4.19	-49.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020265091	1	49	-1.0	-53.46	394.39	4.21	-49.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020265092	0	46	-1.0	-51.90	368.01	4.50	-47.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020265092	1	46	-1.0	-51.91	368.05	4.51	-47.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020265093	0	47	-1.0	-39.54	401.17	7.00	-32.54
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020265093	1	47	-1.0	-39.61	401.22	7.01	-32.60
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020265094	0	44	-1.0	-40.82	379.57	6.20	-34.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020265094	1	44	-1.0	-40.84	379.63	6.23	-34.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020265095	0	47	-1.0	-43.90	389.39	9.47	-34.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020265095	1	47	-1.0	-43.88	389.45	9.48	-34.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020265096	0	44	-1.0	-46.15	367.89	8.68	-37.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020265096	1	44	-1.0	-46.13	367.95	8.71	-37.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020265097	0	46	-1.0	-42.25	356.24	8.21	-34.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020265097	1	46	-1.0	-42.28	356.30	8.23	-34.05
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020265098	0	43	-1.0	-46.21	334.83	7.45	-38.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020265098	1	43	-1.0	-46.21	334.77	7.43	-38.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020265099	0	49	-1.0	-41.99	399.27	8.13	-33.86
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020265099	1	49	-1.0	-42.06	399.32	8.15	-33.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020265100	0	46	-1.0	-42.67	379.61	7.18	-35.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020265100	1	46	-1.0	-42.59	379.67	7.20	-35.39
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020265101	0	49	-1.0	-40.85	399.59	7.92	-32.93
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020265101	1	49	-1.0	-40.84	399.64	7.94	-32.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020265102	0	46	-1.0	-43.76	379.51	7.18	-36.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020265102	1	46	-1.0	-43.81	379.56	7.21	-36.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020265103	0	49	-1.0	-40.66	399.51	7.92	-32.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020265103	1	49	-1.0	-40.67	399.57	7.94	-32.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020265104	0	46	-1.0	-43.73	379.61	7.18	-36.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020265104	1	46	-1.0	-43.72	379.66	7.20	-36.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020265105	0	46	-1.0	-45.77	386.73	7.74	-38.03
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020265105	1	46	-1.0	-45.74	386.79	7.76	-37.98
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020265106	0	43	-1.0	-52.58	350.96	6.91	-45.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020265106	1	43	-1.0	-52.55	350.90	6.90	-45.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020265107	0	50	-1.0	-48.16	409.66	7.32	-40.84
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020265107	1	50	-1.0	-48.17	409.72	7.34	-40.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020265108	0	47	-1.0	-48.39	399.43	6.52	-41.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020265108	1	47	-1.0	-48.35	399.37	6.49	-41.86
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020265109	0	47	-1.0	-41.00	372.28	5.49	-35.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020265109	1	47	-1.0	-41.00	372.34	5.50	-35.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020265110	0	44	-1.0	-47.15	343.67	5.75	-41.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020265110	1	44	-1.0	-47.10	343.64	5.73	-41.37
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CCCO1	REAL300020265111	0	51	-1.0	-42.14	387.56	8.62	-33.52
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CCCO1	REAL300020265111	1	51	-1.0	-42.14	387.60	8.61	-33.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020265112	0	50	-1.0	-45.57	416.60	8.26	-37.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020265112	1	50	-1.0	-45.59	416.66	8.28	-37.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020265113	0	47	-1.0	-47.13	393.48	7.39	-39.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020265113	1	47	-1.0	-47.15	393.52	7.42	-39.73
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020265114	0	56	-1.0	-40.83	409.78	5.62	-35.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020265114	1	56	-1.0	-40.85	409.84	5.64	-35.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020265114	1	57	0.0	-59.69	415.68	8.08	-51.61
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020265115	0	53	-1.0	-41.17	398.09	4.99	-36.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020265115	1	53	-1.0	-41.18	398.14	5.01	-36.17
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020265115	1	54	0.0	-58.12	389.04	7.41	-50.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020265116	0	44	-1.0	-45.84	366.32	8.05	-37.79
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020265116	1	44	-1.0	-45.86	366.26	8.03	-37.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020265117	0	55	-1.0	-41.05	442.67	8.38	-32.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020265117	1	56	0.0	-67.97	444.47	10.77	-57.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020265117	1	55	-1.0	-41.11	442.72	8.39	-32.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020265118	0	52	-1.0	-42.27	421.16	7.59	-34.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020265118	1	53	0.0	-66.07	420.34	10.04	-56.03
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020265118	1	52	-1.0	-42.27	421.22	7.62	-34.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020265119	0	53	-1.0	-39.17	409.24	10.39	-28.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020265119	1	53	-1.0	-39.20	409.30	10.41	-28.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020265120	0	50	-1.0	-44.30	371.33	8.43	-35.87
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020265120	1	50	-1.0	-44.28	371.28	8.41	-35.87
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020265121	0	44	-1.0	-43.24	352.81	8.56	-34.68
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020265121	1	44	-1.0	-43.17	352.82	8.56	-34.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020265122	0	44	-1.0	-40.45	362.33	5.64	-34.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020265122	1	44	-1.0	-40.43	362.38	5.65	-34.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020265123	0	41	-1.0	-44.08	340.59	4.97	-39.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020265123	1	41	-1.0	-44.08	340.53	4.96	-39.12
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020265124	0	48	-1.0	-41.83	393.22	7.89	-33.94
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020265124	1	48	-1.0	-41.84	393.26	7.88	-33.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020265125	0	48	-1.0	-39.86	377.62	7.95	-31.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020265125	1	48	-1.0	-39.89	377.67	7.96	-31.93
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020265126	0	45	-1.0	-41.04	350.95	7.30	-33.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020265126	1	45	-1.0	-41.04	350.90	7.28	-33.76
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020265127	0	44	-1.0	-50.02	360.58	4.08	-45.94
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020265127	1	44	-1.0	-49.99	360.63	4.10	-45.89
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020265128	0	41	-1.0	-51.03	341.69	3.35	-47.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020265128	1	41	-1.0	-51.04	341.64	3.32	-47.72
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020265129	0	48	-1.0	-50.90	392.63	6.53	-44.37
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020265129	1	48	-1.0	-50.81	392.67	6.52	-44.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020265130	0	49	-1.0	-45.63	416.08	7.33	-38.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020265130	1	49	-1.0	-45.61	416.02	7.32	-38.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020265131	0	46	-1.0	-48.63	394.54	6.57	-42.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020265131	1	46	-1.0	-48.62	394.48	6.54	-42.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020265132	0	42	-1.0	-45.49	346.08	1.82	-43.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020265132	1	42	-1.0	-45.52	346.14	1.83	-43.69
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020265133	0	39	-1.0	-46.70	319.54	1.17	-45.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020265133	1	39	-1.0	-46.67	319.49	1.15	-45.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020265134	0	44	-1.0	-39.51	362.00	8.30	-31.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020265134	1	44	-1.0	-39.47	362.05	8.31	-31.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020265135	0	41	-1.0	-41.37	338.54	7.63	-33.74
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020265135	1	41	-1.0	-41.36	338.59	7.65	-33.71
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020265136	0	48	-1.0	-42.39	381.87	10.18	-32.21
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020265136	1	48	-1.0	-41.08	391.16	10.03	-31.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C(=O)OC)C=CC(F)=C2C1	REAL300020265137	0	47	-1.0	-46.03	389.15	8.61	-37.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C(=O)OC)C=CC(F)=C2C1	REAL300020265137	1	47	-1.0	-46.04	389.21	8.64	-37.40
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020265138	0	55	0.0	-66.41	413.54	8.72	-57.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020265138	1	55	0.0	-64.63	409.11	8.80	-55.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020265138	1	55	0.0	-66.37	413.60	8.73	-57.64
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020265138	1	55	0.0	-64.63	409.16	8.82	-55.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020265139	0	52	0.0	-65.57	392.03	7.93	-57.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020265139	1	52	0.0	-64.12	387.23	8.13	-55.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020265139	1	52	0.0	-65.57	392.08	7.96	-57.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020265139	1	52	0.0	-64.12	387.28	8.15	-55.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020265140	0	47	-1.0	-43.15	386.12	11.18	-31.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020265140	1	47	-1.0	-43.13	386.06	11.16	-31.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020265141	0	44	-1.0	-45.60	364.61	10.40	-35.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020265141	1	44	-1.0	-45.57	364.55	10.38	-35.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC=C1OC	REAL300020265142	0	51	-1.0	-44.13	391.47	7.53	-36.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC=C1OC	REAL300020265142	1	51	-1.0	-44.13	391.53	7.55	-36.58
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC=C1OC	REAL300020265143	0	48	-1.0	-48.17	370.03	6.76	-41.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC=C1OC	REAL300020265143	1	48	-1.0	-48.18	369.97	6.74	-41.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020265144	0	46	-1.0	-41.77	376.68	7.14	-34.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020265144	1	46	-1.0	-41.71	376.73	7.16	-34.55
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020265145	0	43	-1.0	-42.91	350.97	6.45	-36.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020265145	1	43	-1.0	-42.93	350.92	6.42	-36.51
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020265146	0	50	-1.0	-43.35	401.34	9.10	-34.25
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020265146	1	50	-1.0	-43.34	401.36	9.09	-34.25
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020265147	0	52	-1.0	-39.94	388.13	9.70	-30.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020265147	1	52	-1.0	-39.92	388.19	9.72	-30.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020265148	0	49	-1.0	-41.83	366.86	8.95	-32.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020265148	1	49	-1.0	-41.80	366.80	8.93	-32.87
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCCC1	REAL300020265149	0	56	-1.0	-41.80	409.36	11.67	-30.13
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCCC1	REAL300020265149	1	56	-1.0	-41.80	409.46	11.65	-30.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020265150	0	44	-1.0	-42.07	346.28	7.58	-34.49
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020265150	1	44	-1.0	-42.09	346.33	7.60	-34.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020265151	0	41	-1.0	-46.64	323.68	6.72	-39.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020265151	1	41	-1.0	-46.63	323.63	6.72	-39.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020265152	0	48	-1.0	-42.20	371.48	9.23	-32.97
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020265152	1	48	-1.0	-42.18	371.52	9.21	-32.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020265153	0	47	-1.0	-44.53	379.13	5.54	-38.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020265153	1	47	-1.0	-44.54	379.19	5.55	-38.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020265154	0	44	-1.0	-50.47	357.74	4.68	-45.79
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020265154	1	44	-1.0	-50.46	357.79	4.71	-45.75
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020265155	0	41	-1.0	-38.79	343.40	6.02	-32.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020265155	1	41	-1.0	-38.78	343.46	6.03	-32.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020265156	0	38	-1.0	-40.23	317.59	5.51	-34.72
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020265156	1	38	-1.0	-40.21	317.54	5.50	-34.71
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC[C@@H]1C	REAL300020265157	0	45	-1.0	-40.71	368.71	8.03	-32.68
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC[C@@H]1C	REAL300020265157	1	45	-1.0	-40.69	368.75	8.03	-32.66
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC=C	REAL300020265158	0	42	-1.0	-43.20	361.22	8.68	-34.52
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC=C	REAL300020265158	1	42	-1.0	-43.19	361.27	8.67	-34.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020265159	0	41	-1.0	-44.87	329.38	5.87	-39.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020265159	1	41	-1.0	-44.88	329.44	5.89	-38.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020265160	0	38	-1.0	-49.17	302.48	5.25	-43.92
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020265160	1	38	-1.0	-49.15	302.43	5.24	-43.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020265161	0	45	-1.0	-47.67	360.44	8.00	-39.67
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020265161	1	45	-1.0	-47.70	360.44	7.99	-39.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020265162	0	50	-1.0	-40.88	382.62	9.10	-31.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020265162	1	50	-1.0	-40.88	382.68	9.11	-31.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020265163	0	47	-1.0	-41.69	364.87	8.43	-33.26
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020265163	1	47	-1.0	-41.72	364.81	8.40	-33.32
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020265164	0	54	-1.0	-41.76	415.24	11.10	-30.66
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020265164	1	54	-1.0	-41.76	415.27	11.09	-30.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(CC)=CS2)CC1	REAL300020265165	0	52	-1.0	-41.90	436.36	8.69	-33.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(CC)=CS2)CC1	REAL300020265165	1	52	-1.0	-41.91	436.42	8.70	-33.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(CC)=CS2)CC1	REAL300020265166	0	49	-1.0	-42.26	411.08	7.98	-34.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(CC)=CS2)CC1	REAL300020265166	1	49	-1.0	-42.27	411.13	8.00	-34.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020265167	0	46	-1.0	-43.80	375.73	8.18	-35.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020265167	1	46	-1.0	-43.85	375.78	8.20	-35.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020265168	0	43	-1.0	-45.02	356.56	7.25	-37.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020265168	1	43	-1.0	-45.05	356.62	7.28	-37.77
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020265169	0	49	-1.0	-40.85	393.96	9.06	-31.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020265169	1	49	-1.0	-40.84	394.02	9.07	-31.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020265170	0	46	-1.0	-42.87	370.84	8.19	-34.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020265170	1	46	-1.0	-42.89	370.88	8.21	-34.68
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCCF)CC1	REAL300020265171	0	53	-1.0	-43.66	423.83	11.04	-32.62
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCCF)CC1	REAL300020265171	1	53	-1.0	-43.74	423.87	11.03	-32.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020265172	0	49	-1.0	-40.69	405.51	9.31	-31.38
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020265172	1	49	-1.0	-40.72	405.56	9.32	-31.40
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020265173	0	46	-1.0	-42.25	382.38	8.43	-33.82
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020265173	1	46	-1.0	-42.27	382.42	8.46	-33.81
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020265174	0	44	-1.0	-41.65	370.39	8.43	-33.22
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020265174	1	44	-1.0	-41.69	370.37	8.42	-33.27
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020265175	0	46	-1.0	-39.82	380.39	8.32	-31.50
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020265175	1	46	-1.0	-39.80	380.45	8.34	-31.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020265176	0	43	-1.0	-42.27	359.07	7.55	-34.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020265176	1	43	-1.0	-42.32	359.13	7.58	-34.74
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020265177	0	54	-1.0	-40.63	418.78	8.58	-32.05
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020265177	1	54	-1.0	-40.67	418.84	8.60	-32.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020265178	0	51	-1.0	-41.55	397.61	7.56	-33.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020265178	1	51	-1.0	-41.60	397.66	7.58	-34.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020265179	0	44	-1.0	-43.80	363.20	3.34	-40.46
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020265179	1	44	-1.0	-43.86	363.26	3.35	-40.51
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020265180	0	41	-1.0	-47.62	338.76	2.89	-44.73
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020265180	1	41	-1.0	-47.61	338.72	2.88	-44.73
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020265181	0	48	-1.0	-46.39	388.75	5.53	-40.86
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020265181	1	48	-1.0	-46.35	388.78	5.52	-40.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020265182	0	49	-1.0	-45.65	404.11	4.40	-41.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020265182	1	49	-1.0	-45.66	404.16	4.41	-41.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020265183	0	46	-1.0	-47.45	380.38	3.73	-43.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020265183	1	46	-1.0	-47.46	380.42	3.75	-43.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020265184	0	46	-1.0	-40.44	364.98	8.52	-31.92
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020265184	1	46	-1.0	-40.41	365.03	8.53	-31.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020265185	0	43	-1.0	-40.86	340.78	7.92	-32.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020265185	1	43	-1.0	-40.84	340.82	7.93	-32.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020265186	0	44	-1.0	-43.89	362.75	4.22	-39.67
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020265186	1	44	-1.0	-43.91	362.81	4.24	-39.67
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020265187	0	41	-1.0	-47.27	342.90	3.50	-43.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020265187	1	41	-1.0	-47.28	342.84	3.47	-43.81
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(CO)CC1	REAL300020265188	0	48	-1.0	-45.75	387.78	6.17	-39.58
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(CO)CC1	REAL300020265188	1	48	-1.0	-45.77	387.85	6.17	-39.60
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020265189	0	47	-1.0	-44.73	388.57	7.28	-37.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020265189	1	47	-1.0	-44.72	388.62	7.29	-37.43
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020265190	0	44	-1.0	-48.23	365.13	6.43	-41.80
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020265190	1	44	-1.0	-48.25	365.07	6.40	-41.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020265191	0	47	-1.0	-41.30	387.80	9.33	-31.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020265191	1	47	-1.0	-41.28	387.86	9.34	-31.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020265192	0	44	-1.0	-44.12	351.89	8.59	-35.53
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020265192	1	44	-1.0	-44.10	351.83	8.56	-35.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020265193	0	44	-1.0	-40.23	344.49	5.14	-35.09
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020265193	1	44	-1.0	-40.26	344.55	5.16	-35.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020265194	0	41	-1.0	-43.06	336.06	5.02	-38.04
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020265194	1	41	-1.0	-43.04	336.01	5.00	-38.04
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020265195	0	48	-1.0	-43.73	388.46	7.82	-35.91
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020265195	1	48	-1.0	-43.73	388.51	7.82	-35.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020265196	0	44	-1.0	-45.43	366.13	6.30	-39.13
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020265196	1	44	-1.0	-45.38	366.19	6.31	-39.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020265197	0	41	-1.0	-44.25	342.85	6.49	-37.76
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020265197	1	41	-1.0	-44.26	342.80	6.46	-37.80
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020265198	0	48	-1.0	-44.56	390.70	9.20	-35.36
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020265198	1	48	-1.0	-44.55	390.74	9.20	-35.35
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](CC)C1	REAL300020265199	0	44	-1.0	-39.40	359.51	6.05	-33.35
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](CC)C1	REAL300020265199	1	44	-1.0	-39.41	359.56	6.06	-33.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](CC)C1	REAL300020265200	0	41	-1.0	-41.38	335.92	5.39	-35.99
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](CC)C1	REAL300020265200	1	41	-1.0	-41.37	335.87	5.37	-36.00
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@H](CC)C1	REAL300020265201	0	48	-1.0	-42.63	386.27	8.04	-34.59
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@H](CC)C1	REAL300020265201	1	48	-1.0	-42.64	386.31	8.03	-34.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC)C1	REAL300020265202	0	44	-1.0	-40.41	361.47	5.70	-34.71
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC)C1	REAL300020265202	1	44	-1.0	-40.36	361.53	5.71	-34.65
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC)C1	REAL300020265203	0	41	-1.0	-43.23	335.51	5.16	-38.07
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC)C1	REAL300020265203	1	41	-1.0	-43.21	335.45	5.14	-38.07
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](OC)C1	REAL300020265204	0	48	-1.0	-41.77	387.25	7.82	-33.95
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](OC)C1	REAL300020265204	1	48	-1.0	-41.71	387.29	7.81	-33.90
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020265205	0	45	-1.0	-40.68	357.39	3.71	-36.97
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020265205	1	45	-1.0	-40.67	357.45	3.73	-36.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020265206	0	42	-1.0	-42.09	348.53	3.82	-38.27
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020265206	1	42	-1.0	-42.05	348.48	3.80	-38.25
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020265207	0	49	-1.0	-43.28	402.07	6.45	-36.83
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020265207	1	49	-1.0	-43.24	402.12	6.43	-36.81
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020265208	0	49	-1.0	-42.77	407.78	9.12	-33.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020265208	1	49	-1.0	-42.78	407.84	9.13	-33.65
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020265209	0	46	-1.0	-44.80	384.43	8.48	-36.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020265209	1	46	-1.0	-44.81	384.49	8.51	-36.30
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](COC)C1	REAL300020265210	0	45	-1.0	-40.82	368.51	4.43	-36.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](COC)C1	REAL300020265210	1	45	-1.0	-40.82	368.56	4.45	-36.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](COC)C1	REAL300020265211	0	42	-1.0	-42.75	351.37	3.72	-39.03
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](COC)C1	REAL300020265211	1	42	-1.0	-42.76	351.32	3.69	-39.07
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@H](COC)C1	REAL300020265212	0	49	-1.0	-42.72	394.49	6.31	-36.41
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@H](COC)C1	REAL300020265212	1	49	-1.0	-42.69	394.53	6.30	-36.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300020265213	0	55	-1.0	-52.38	429.80	8.67	-43.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300020265213	1	55	-1.0	-52.36	429.85	8.69	-43.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020265214	0	46	-1.0	-40.03	375.68	6.67	-33.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020265214	1	46	-1.0	-40.04	375.73	6.69	-33.35
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020265215	0	43	-1.0	-43.43	354.49	5.93	-37.50
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020265215	1	43	-1.0	-43.42	354.43	5.90	-37.52
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020265216	0	50	-1.0	-42.86	395.37	8.79	-34.07
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020265216	1	50	-1.0	-42.85	395.43	8.77	-34.08
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC(C)=C1F	REAL300020265217	0	47	-1.0	-47.21	391.86	10.13	-37.08
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC(C)=C1F	REAL300020265217	1	47	-1.0	-47.17	391.80	10.11	-37.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CC1(C)C	REAL300020265218	0	41	-1.0	-39.39	332.05	6.20	-33.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CC1(C)C	REAL300020265218	1	41	-1.0	-39.37	332.11	6.21	-33.16
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020265219	0	45	-1.0	-42.36	354.20	8.36	-34.00
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020265219	1	45	-1.0	-42.37	354.24	8.35	-34.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020265220	0	46	-1.0	-44.06	376.70	3.46	-40.60
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020265220	1	46	-1.0	-44.10	376.76	3.48	-40.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020265221	0	43	-1.0	-44.81	350.26	2.68	-42.13
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020265221	1	43	-1.0	-44.80	350.20	2.65	-42.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020265222	0	52	-1.0	-45.65	416.69	3.43	-42.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020265222	1	52	-1.0	-45.68	416.75	3.44	-42.24
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020265223	0	49	-1.0	-48.06	395.18	2.64	-45.42
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020265223	1	49	-1.0	-48.02	395.24	2.67	-45.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(S(C)(=O)=O)=C2C1	REAL300020265224	0	44	-1.0	-49.04	385.65	2.28	-46.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(S(C)(=O)=O)=C2C1	REAL300020265224	1	44	-1.0	-48.99	385.71	2.30	-46.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020265225	0	54	-1.0	-40.53	416.24	7.83	-32.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020265225	1	54	-1.0	-40.47	416.30	7.84	-32.63
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020265226	0	51	-1.0	-47.11	378.02	6.05	-41.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020265226	1	51	-1.0	-47.17	378.12	6.08	-41.09
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C[C@H](C2=NNC(=O)N2C)C1	REAL300020265227	0	53	-1.0	-45.84	429.08	7.15	-38.69
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C[C@H](C2=NNC(=O)N2C)C1	REAL300020265227	1	53	-1.0	-45.84	429.14	7.17	-38.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C[C@H](C2=NNC(=O)N2C)C1	REAL300020265228	0	50	-1.0	-48.44	407.83	6.58	-41.86
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C[C@H](C2=NNC(=O)N2C)C1	REAL300020265228	1	50	-1.0	-48.46	407.88	6.61	-41.85
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020265229	0	43	-1.0	-51.06	354.48	3.06	-48.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020265229	1	43	-1.0	-51.08	354.53	3.07	-48.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020265230	0	40	-1.0	-50.51	334.31	2.22	-48.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020265230	1	40	-1.0	-50.46	334.26	2.20	-48.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020265231	0	47	-1.0	-51.27	385.09	5.05	-46.22
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020265231	1	47	-1.0	-51.22	385.14	5.04	-46.18
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OCC)C1	REAL300020265232	0	52	-1.0	-41.79	421.13	9.05	-32.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OCC)C1	REAL300020265232	1	52	-1.0	-41.81	421.19	9.06	-32.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OCC)C1	REAL300020265233	0	49	-1.0	-43.34	399.72	8.27	-35.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OCC)C1	REAL300020265233	1	49	-1.0	-43.34	399.78	8.29	-35.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020265234	0	47	-1.0	-42.70	397.30	9.51	-33.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020265234	1	47	-1.0	-42.68	397.36	9.54	-33.14
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2C(=O)OCC)CC1	REAL300020265235	0	53	-1.0	-44.82	434.97	9.83	-34.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2C(=O)OCC)CC1	REAL300020265235	1	53	-1.0	-44.81	435.03	9.84	-34.97
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2C(=O)OCC)CC1	REAL300020265236	0	50	-1.0	-46.00	409.38	9.12	-36.88
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2C(=O)OCC)CC1	REAL300020265236	1	50	-1.0	-45.95	409.42	9.13	-36.82
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020265237	0	44	-1.0	-43.68	349.02	8.59	-35.09
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020265237	1	44	-1.0	-43.62	349.05	8.58	-35.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020265238	0	52	-1.0	-43.81	409.80	8.56	-35.25
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020265238	1	52	-1.0	-43.77	409.86	8.58	-35.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020265239	0	49	-1.0	-44.34	390.27	7.94	-36.40
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020265239	1	49	-1.0	-44.38	390.32	7.97	-36.41
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(C(=O)OCC)=C2C1	REAL300020265240	0	50	-1.0	-49.93	408.46	6.62	-43.31
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(C(=O)OCC)=C2C1	REAL300020265240	1	50	-1.0	-49.96	408.50	6.63	-43.33
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020265241	0	50	-1.0	-42.91	410.97	7.28	-35.63
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020265241	1	50	-1.0	-42.85	411.02	7.30	-35.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020265242	0	47	-1.0	-44.98	390.98	6.53	-38.45
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020265242	1	47	-1.0	-45.00	391.05	6.56	-38.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C(F)F)CC1	REAL300020265243	0	49	-1.0	-44.35	406.23	7.84	-36.51
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C(F)F)CC1	REAL300020265243	1	49	-1.0	-44.36	406.29	7.85	-36.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C(F)F)CC1	REAL300020265244	0	46	-1.0	-46.09	384.88	7.12	-38.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C(F)F)CC1	REAL300020265244	1	46	-1.0	-46.12	384.94	7.14	-38.98
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020265245	0	44	-1.0	-43.68	349.02	8.59	-35.09
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020265245	1	44	-1.0	-43.62	349.05	8.58	-35.04
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC(F)=CC=C1F	REAL300020265246	0	49	-1.0	-41.98	398.76	8.37	-33.61
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC(F)=CC=C1F	REAL300020265246	1	49	-1.0	-41.99	398.82	8.39	-33.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC(F)=CC=C1F	REAL300020265247	0	46	-1.0	-47.06	382.44	7.89	-39.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC(F)=CC=C1F	REAL300020265247	1	46	-1.0	-47.06	382.38	7.87	-39.19
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020265248	0	47	-1.0	-41.24	366.35	7.92	-33.32
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020265248	1	47	-1.0	-41.25	366.41	7.93	-33.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020265249	0	44	-1.0	-40.95	359.44	7.85	-33.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020265249	1	44	-1.0	-40.92	359.49	7.87	-33.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(=O)OC)CO2)CC1	REAL300020265250	0	51	-1.0	-47.05	415.45	6.98	-40.07
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(=O)OC)CO2)CC1	REAL300020265250	1	51	-1.0	-47.01	415.51	7.01	-40.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020265251	0	49	-1.0	-45.46	407.28	6.29	-39.17
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020265251	1	49	-1.0	-45.47	407.33	6.30	-39.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020265252	0	46	-1.0	-47.59	383.54	5.62	-41.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020265252	1	46	-1.0	-47.61	383.59	5.64	-41.97
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020265253	0	50	-1.0	-47.59	380.68	9.35	-38.24
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020265253	1	50	-1.0	-47.56	380.73	9.37	-38.19
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020265254	0	47	-1.0	-51.18	356.54	8.81	-42.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020265254	1	47	-1.0	-51.21	356.59	8.83	-42.38
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020265255	0	56	-1.0	-40.14	436.71	8.70	-31.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020265255	1	56	-1.0	-40.15	436.76	8.72	-31.43
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020265256	0	53	-1.0	-42.33	413.58	7.83	-34.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020265256	1	53	-1.0	-42.35	413.62	7.85	-34.50
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020265257	0	56	-1.0	-38.80	438.77	8.52	-30.28
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020265257	1	56	-1.0	-38.84	438.83	8.53	-30.31
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020265258	0	53	-1.0	-41.26	417.39	7.73	-33.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020265258	1	53	-1.0	-41.27	417.45	7.75	-33.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020265259	0	49	-1.0	-46.20	403.04	6.35	-39.85
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020265259	1	49	-1.0	-46.19	403.10	6.36	-39.83
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020265260	0	46	-1.0	-49.16	385.30	5.70	-43.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020265260	1	46	-1.0	-49.13	385.25	5.68	-43.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020265261	0	48	-1.0	-41.27	384.77	6.48	-34.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020265261	1	48	-1.0	-41.27	384.82	6.49	-34.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020265262	0	45	-1.0	-45.59	365.03	5.71	-39.88
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020265262	1	45	-1.0	-45.59	364.97	5.70	-39.89
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020265263	0	46	-1.0	-41.95	372.97	6.91	-35.04
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020265263	1	46	-1.0	-41.94	373.02	6.92	-35.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020265264	0	43	-1.0	-45.07	353.13	6.17	-38.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020265264	1	43	-1.0	-45.06	353.07	6.15	-38.91
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020265265	0	50	-1.0	-43.61	397.99	8.86	-34.75
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020265265	1	50	-1.0	-43.68	398.00	8.85	-34.83
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CCOCC1	REAL300020265266	0	50	-1.0	-41.87	395.65	6.92	-34.95
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CCOCC1	REAL300020265266	1	50	-1.0	-41.84	395.71	6.94	-34.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CCOCC1	REAL300020265267	0	47	-1.0	-43.61	377.96	6.05	-37.56
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CCOCC1	REAL300020265267	1	47	-1.0	-43.58	377.90	6.03	-37.55
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CCOCC1	REAL300020265268	0	54	-1.0	-43.08	428.03	9.03	-34.05
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CCOCC1	REAL300020265268	1	54	-1.0	-43.08	428.08	9.02	-34.06
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020265269	0	52	-1.0	-50.75	407.95	4.69	-46.06
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020265269	1	52	-1.0	-50.76	408.01	4.71	-46.05
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020265270	0	49	-1.0	-53.23	388.02	3.95	-49.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020265270	1	49	-1.0	-53.29	388.07	3.97	-49.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020265271	0	45	-1.0	-42.18	393.47	6.91	-35.27
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020265271	1	45	-1.0	-42.16	393.52	6.93	-35.23
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020265272	0	42	-1.0	-45.05	371.79	6.15	-38.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020265272	1	42	-1.0	-45.03	371.73	6.12	-38.91
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020265273	0	48	-1.0	-46.41	380.90	3.96	-42.45
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020265273	1	48	-1.0	-46.41	380.96	3.97	-42.44
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020265274	0	45	-1.0	-51.27	362.78	2.21	-49.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020265274	1	45	-1.0	-51.25	362.83	2.22	-49.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020265275	0	50	-1.0	-45.92	398.43	8.13	-37.79
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020265275	1	50	-1.0	-45.91	398.49	8.14	-37.77
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020265276	0	47	-1.0	-49.64	374.96	7.32	-42.32
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020265276	1	47	-1.0	-49.61	375.02	7.35	-42.26
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020265277	0	53	-1.0	-42.03	415.13	8.67	-33.36
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020265277	1	53	-1.0	-42.00	415.19	8.68	-33.32
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020265278	0	50	-1.0	-41.50	402.04	7.87	-33.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020265278	1	50	-1.0	-41.47	402.09	7.90	-33.57
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020265279	0	48	-1.0	-42.38	369.52	6.60	-35.78
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020265279	1	48	-1.0	-42.37	369.58	6.61	-35.76
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020265280	0	45	-1.0	-45.48	348.08	5.84	-39.64
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020265280	1	45	-1.0	-45.47	348.02	5.81	-39.66
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020265281	0	52	-1.0	-42.99	394.47	8.39	-34.60
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020265281	1	52	-1.0	-42.99	394.51	8.38	-34.61
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020265282	0	40	-1.0	-40.90	343.03	6.79	-34.11
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020265282	1	40	-1.0	-40.92	343.08	6.81	-34.11
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020265283	0	37	-1.0	-40.32	332.21	5.96	-34.36
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020265283	1	37	-1.0	-40.35	332.27	5.99	-34.36
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020265284	0	48	-1.0	-50.98	393.17	5.96	-45.02
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020265284	1	48	-1.0	-50.98	393.23	5.98	-45.00
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020265285	0	45	-1.0	-46.48	356.27	5.04	-41.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020265285	1	45	-1.0	-46.48	356.32	5.06	-41.42
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020265286	0	49	-1.0	-52.68	383.18	3.98	-48.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020265286	1	49	-1.0	-52.68	383.24	3.99	-48.69
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020265287	0	46	-1.0	-49.86	364.59	3.22	-46.64
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020265287	1	46	-1.0	-49.86	364.63	3.23	-46.63
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020265288	0	52	-1.0	-39.31	395.85	7.61	-31.70
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020265288	1	52	-1.0	-39.33	395.91	7.62	-31.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020265289	0	49	-1.0	-46.44	359.73	6.93	-39.51
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020265289	1	49	-1.0	-46.42	359.68	6.90	-39.52
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020265290	0	56	-1.0	-42.17	442.45	10.59	-31.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020265290	1	56	-1.0	-42.15	442.51	10.61	-31.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020265291	0	53	-1.0	-46.19	411.86	10.57	-35.62
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020265291	1	53	-1.0	-46.16	411.90	10.58	-35.58
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C(C(=O)OCC)=NO2	REAL300020265292	0	49	-1.0	-42.41	401.89	7.51	-34.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C(C(=O)OCC)=NO2	REAL300020265292	1	49	-1.0	-42.43	401.95	7.52	-34.91
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C(C(=O)OCC)=NO2	REAL300020265293	0	46	-1.0	-50.41	387.82	6.23	-44.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C(C(=O)OCC)=NO2	REAL300020265293	1	46	-1.0	-50.35	387.88	6.25	-44.10
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=C(C(=O)OC)N=CO2)C1	REAL300020265294	0	49	-1.0	-46.82	415.27	5.04	-41.78
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=C(C(=O)OC)N=CO2)C1	REAL300020265294	1	49	-1.0	-46.85	415.21	5.01	-41.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020265295	0	54	-1.0	-39.77	403.12	5.88	-33.89
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020265295	1	54	-1.0	-39.80	403.18	5.90	-33.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020265296	0	51	-1.0	-42.37	383.22	5.13	-37.24
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020265296	1	51	-1.0	-42.36	383.27	5.15	-37.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020265297	0	51	-1.0	-42.07	381.84	5.26	-36.81
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020265297	1	51	-1.0	-42.05	381.90	5.27	-36.78
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020265298	0	48	-1.0	-43.20	373.49	5.00	-38.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020265298	1	48	-1.0	-43.17	373.43	4.98	-38.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCC)C=C1	REAL300020265299	0	43	-1.0	-43.22	365.42	9.44	-33.78
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCC)C=C1	REAL300020265299	1	43	-1.0	-43.18	365.36	9.43	-33.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCC)C=C1	REAL300020265300	0	40	-1.0	-46.21	343.86	8.67	-37.54
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCC)C=C1	REAL300020265300	1	40	-1.0	-46.20	343.81	8.64	-37.56
C=CCN1C(NC2=NN(CCC)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020265301	0	47	-1.0	-45.76	394.28	11.38	-34.38
C=CCN1C(NC2=NN(CCC)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020265301	1	47	-1.0	-45.77	394.25	11.40	-34.37
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020265302	0	48	-1.0	-42.71	392.39	6.94	-35.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020265302	1	48	-1.0	-42.70	392.44	6.96	-35.74
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020265303	0	45	-1.0	-43.64	368.65	6.27	-37.37
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020265303	1	45	-1.0	-43.65	368.70	6.30	-37.35
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(OC)C=CC=C2OC)C1	REAL300020265304	0	52	-1.0	-44.26	402.44	7.60	-36.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(OC)C=CC=C2OC)C1	REAL300020265304	1	52	-1.0	-44.24	402.49	7.61	-36.63
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300020265305	0	48	-1.0	-49.63	388.55	9.06	-40.57
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300020265305	1	48	-1.0	-49.63	388.50	9.04	-40.59
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OCC(=O)OC)=C1	REAL300020265306	0	50	-1.0	-48.99	428.90	8.52	-40.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OCC(=O)OC)=C1	REAL300020265306	1	50	-1.0	-48.99	428.96	8.55	-40.44
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020265307	0	42	-1.0	-41.36	329.68	6.84	-34.52
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020265307	1	42	-1.0	-41.41	329.74	6.86	-34.55
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020265308	0	46	-1.0	-42.98	357.95	9.01	-33.97
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020265308	1	46	-1.0	-43.02	357.97	9.00	-34.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020265309	0	48	-1.0	-43.11	359.33	8.88	-34.23
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020265309	1	48	-1.0	-43.10	359.39	8.90	-34.20
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020265310	0	45	-1.0	-40.98	357.22	9.88	-31.10
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020265310	1	45	-1.0	-40.94	357.17	9.87	-31.07
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020265311	0	46	-1.0	-41.47	356.53	6.26	-35.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020265311	1	46	-1.0	-41.49	356.59	6.27	-35.22
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020265312	0	43	-1.0	-41.62	343.85	5.81	-35.81
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020265312	1	43	-1.0	-41.66	343.79	5.79	-35.87
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020265313	0	50	-1.0	-43.11	389.09	8.35	-34.76
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020265313	1	50	-1.0	-43.12	389.11	8.33	-34.79
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020265314	0	45	-1.0	-40.30	336.85	3.64	-36.66
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020265314	1	45	-1.0	-40.31	336.90	3.65	-36.66
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020265315	0	42	-1.0	-42.55	326.24	3.09	-39.46
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020265315	1	42	-1.0	-42.60	326.18	3.07	-39.53
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020265316	0	49	-1.0	-42.53	362.40	5.55	-36.98
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020265316	1	49	-1.0	-42.50	362.43	5.54	-36.96
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020265317	0	54	-1.0	-40.68	393.45	8.37	-32.31
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020265317	1	54	-1.0	-40.69	393.51	8.39	-32.30
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020265318	0	51	-1.0	-42.05	378.37	7.52	-34.53
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020265318	1	51	-1.0	-42.07	378.43	7.54	-34.53
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)OCCC	REAL300020265319	0	53	-1.0	-46.18	438.99	5.56	-40.62
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)OCCC	REAL300020265319	1	53	-1.0	-46.15	439.05	5.57	-40.58
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)OCCC	REAL300020265320	0	50	-1.0	-47.05	420.21	4.86	-42.19
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)OCCC	REAL300020265320	1	50	-1.0	-47.06	420.28	4.89	-42.17
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020265321	0	45	-1.0	-40.62	363.21	8.61	-32.01
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020265321	1	45	-1.0	-40.61	363.27	8.62	-31.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020265322	0	42	-1.0	-42.80	341.76	7.85	-34.95
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020265322	1	42	-1.0	-42.79	341.71	7.82	-34.97
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020265323	0	49	-1.0	-42.85	381.69	10.46	-32.39
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020265323	1	49	-1.0	-42.87	381.72	10.46	-32.41
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020265324	0	47	-1.0	-40.01	388.05	9.57	-30.44
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020265324	1	47	-1.0	-40.02	388.11	9.58	-30.44
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020265325	0	44	-1.0	-43.94	372.40	9.05	-34.89
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020265325	1	44	-1.0	-43.93	372.34	9.03	-34.90
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020265326	0	51	-1.0	-43.54	408.26	11.78	-31.76
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020265326	1	51	-1.0	-43.47	408.31	11.77	-31.70
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020265327	0	52	-1.0	-41.29	399.73	9.46	-31.83
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020265327	1	52	-1.0	-41.25	399.77	9.48	-31.77
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020265328	0	49	-1.0	-43.95	383.12	8.78	-35.17
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020265328	1	49	-1.0	-43.92	383.06	8.77	-35.15
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020265329	0	47	-1.0	-40.86	360.78	8.04	-32.82
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020265329	1	47	-1.0	-40.81	360.84	8.06	-32.75
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020265330	0	44	-1.0	-42.68	336.89	7.48	-35.20
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020265330	1	44	-1.0	-42.69	336.84	7.47	-35.22
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020265331	0	51	-1.0	-43.82	395.17	10.23	-33.59
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020265331	1	51	-1.0	-43.76	395.23	10.22	-33.54
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(O)CC	REAL300020265332	0	46	-1.0	-41.09	361.43	4.09	-37.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(O)CC	REAL300020265332	1	46	-1.0	-41.09	361.49	4.10	-36.99
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(O)CC	REAL300020265333	0	43	-1.0	-43.64	344.41	3.52	-40.12
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(O)CC	REAL300020265333	1	43	-1.0	-43.68	344.35	3.50	-40.18
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(O)CC	REAL300020265334	0	50	-1.0	-42.70	392.05	6.07	-36.63
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(O)CC	REAL300020265334	1	50	-1.0	-42.71	392.09	6.06	-36.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCCCO	REAL300020265335	0	46	-1.0	-44.11	365.15	3.46	-40.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCCCO	REAL300020265335	1	46	-1.0	-44.08	365.21	3.47	-40.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCCCO	REAL300020265336	0	43	-1.0	-46.68	348.80	3.01	-43.67
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCCCO	REAL300020265336	1	43	-1.0	-46.67	348.75	2.99	-43.68
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCCCO	REAL300020265337	0	50	-1.0	-45.34	397.71	5.60	-39.74
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCCCO	REAL300020265337	1	50	-1.0	-45.36	397.75	5.60	-39.76
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020265338	0	48	-1.0	-46.35	395.31	10.51	-35.84
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020265338	1	48	-1.0	-46.35	395.25	10.50	-35.85
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020265339	0	45	-1.0	-53.17	372.22	9.75	-43.42
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020265339	1	45	-1.0	-53.19	372.16	9.74	-43.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020265340	0	42	-1.0	-51.12	342.73	4.47	-46.65
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020265340	1	42	-1.0	-51.08	342.77	4.48	-46.60
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020265341	0	39	-1.0	-54.00	319.56	3.84	-50.16
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020265341	1	39	-1.0	-54.02	319.52	3.82	-50.20
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020265342	0	46	-1.0	-43.96	377.03	7.69	-36.27
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020265342	1	46	-1.0	-43.89	377.06	7.68	-36.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020265343	0	48	-1.0	-48.90	392.90	7.13	-41.77
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020265343	1	48	-1.0	-48.85	392.96	7.15	-41.70
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020265344	0	45	-1.0	-50.81	371.00	6.32	-44.49
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020265344	1	45	-1.0	-50.79	371.06	6.34	-44.45
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020265345	0	47	-1.0	-46.12	369.19	8.38	-37.74
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020265345	1	47	-1.0	-46.15	369.24	8.40	-37.75
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020265346	0	44	-1.0	-43.68	362.75	7.59	-36.09
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020265346	1	44	-1.0	-43.69	362.79	7.61	-36.08
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020265347	0	52	-1.0	-50.04	404.95	2.13	-47.91
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020265347	1	52	-1.0	-50.05	405.01	2.15	-47.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020265348	0	49	-1.0	-52.96	385.11	1.37	-51.59
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020265348	1	49	-1.0	-52.99	385.17	1.40	-51.59
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020265349	0	49	-1.0	-44.62	399.47	8.23	-36.39
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020265349	1	49	-1.0	-44.64	399.53	8.25	-36.39
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020265350	0	46	-1.0	-48.57	384.28	7.43	-41.14
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020265350	1	46	-1.0	-48.61	384.34	7.45	-41.16
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCN(CC)C1=CC=CC=C1	REAL300020265351	0	57	-1.0	-39.71	460.63	10.84	-28.87
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCN(CC)C1=CC=CC=C1	REAL300020265351	1	57	-1.0	-39.76	460.68	10.86	-28.90
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCN(CC)C1=CC=CC=C1	REAL300020265352	0	54	-1.0	-41.03	434.89	10.13	-30.90
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCN(CC)C1=CC=CC=C1	REAL300020265352	1	54	-1.0	-41.03	434.94	10.16	-30.87
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020265353	0	47	-1.0	-42.24	387.95	9.03	-33.21
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020265353	1	47	-1.0	-42.21	388.01	9.05	-33.16
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020265354	0	44	-1.0	-44.01	362.25	8.33	-35.68
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020265354	1	44	-1.0	-43.99	362.20	8.30	-35.69
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020265355	0	41	-1.0	-44.21	348.53	2.02	-42.19
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020265355	1	41	-1.0	-44.15	348.59	2.03	-42.12
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020265356	0	38	-1.0	-46.47	335.80	0.99	-45.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020265356	1	38	-1.0	-46.45	335.74	0.96	-45.49
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020265357	0	46	-1.0	-40.76	364.43	4.08	-36.68
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020265357	1	46	-1.0	-40.80	364.49	4.09	-36.71
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020265358	0	43	-1.0	-43.06	345.57	3.40	-39.66
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020265358	1	43	-1.0	-43.05	345.52	3.37	-39.68
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020265359	0	41	-1.0	-39.18	340.49	7.71	-31.47
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020265359	1	41	-1.0	-39.20	340.55	7.73	-31.47
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020265360	0	38	-1.0	-41.33	319.16	6.95	-34.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020265360	1	38	-1.0	-41.33	319.10	6.92	-34.41
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020265361	0	45	-1.0	-41.92	369.39	9.67	-32.25
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020265361	1	45	-1.0	-41.87	369.43	9.66	-32.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020265362	0	39	-1.0	-43.79	316.14	3.89	-39.90
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020265362	1	39	-1.0	-43.85	316.20	3.90	-39.95
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020265363	0	43	-1.0	-46.53	342.84	5.87	-40.66
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020265363	1	43	-1.0	-46.56	342.86	5.85	-40.71
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020265364	0	47	-1.0	-49.54	381.49	2.82	-46.72
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020265364	1	47	-1.0	-49.55	381.55	2.83	-46.72
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020265365	0	44	-1.0	-49.43	356.26	2.15	-47.28
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020265365	1	44	-1.0	-49.45	356.21	2.13	-47.32
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020265366	0	46	-1.0	-42.83	378.95	7.40	-35.43
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020265366	1	46	-1.0	-42.80	379.00	7.42	-35.38
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020265367	0	43	-1.0	-42.74	365.03	6.80	-35.94
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020265367	1	43	-1.0	-42.75	365.09	6.82	-35.93
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(F)C=C2C(=O)OC)C1	REAL300020265368	0	47	-1.0	-44.79	398.15	8.77	-36.02
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(F)C=C2C(=O)OC)C1	REAL300020265368	1	47	-1.0	-44.81	398.20	8.79	-36.02
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020265369	0	53	-1.0	-47.26	436.91	8.26	-39.00
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020265369	1	53	-1.0	-47.29	436.97	8.28	-39.01
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020265370	0	50	-1.0	-47.87	413.09	7.59	-40.28
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020265370	1	50	-1.0	-47.83	413.14	7.61	-40.22
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020265371	0	46	-1.0	-43.22	385.23	10.22	-33.00
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020265371	1	46	-1.0	-43.21	385.17	10.20	-33.01
C=CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020265372	0	43	-1.0	-46.31	363.68	9.45	-36.86
C=CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020265372	1	43	-1.0	-46.32	363.62	9.41	-36.91
C=CCN1C(NC2=NN(CC(C)C)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020265373	0	50	-1.0	-44.73	413.08	12.08	-32.65
C=CCN1C(NC2=NN(CC(C)C)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020265373	1	50	-1.0	-44.75	413.03	12.10	-32.65
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020265374	0	47	-1.0	-50.40	380.38	4.82	-45.58
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020265374	1	47	-1.0	-50.44	380.44	4.83	-45.61
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020265375	0	44	-1.0	-53.20	358.94	4.06	-49.14
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020265375	1	44	-1.0	-53.22	358.88	4.03	-49.19
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020265376	0	51	-1.0	-52.01	409.03	6.79	-45.22
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020265376	1	51	-1.0	-51.99	409.05	6.78	-45.21
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020265377	0	43	-1.0	-42.34	341.39	4.35	-37.99
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020265377	1	43	-1.0	-42.33	341.44	4.36	-37.97
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020265378	0	40	-1.0	-41.88	322.50	3.63	-38.25
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020265378	1	40	-1.0	-41.87	322.44	3.61	-38.26
C=CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020265379	0	47	-1.0	-43.57	374.51	6.54	-37.03
C=CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020265379	1	47	-1.0	-43.56	374.56	6.53	-37.03
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020265380	0	52	-1.0	-41.87	410.27	8.28	-33.59
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020265380	1	52	-1.0	-41.85	410.32	8.30	-33.55
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020265381	0	49	-1.0	-43.74	386.11	7.68	-36.06
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020265381	1	49	-1.0	-43.76	386.16	7.70	-36.06
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C(=O)OC)C1	REAL300020265382	0	50	-1.0	-43.26	399.74	8.97	-34.29
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C(=O)OC)C1	REAL300020265382	1	50	-1.0	-43.29	399.79	8.98	-34.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020265383	0	42	-1.0	-39.65	347.81	7.67	-31.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020265383	1	42	-1.0	-39.66	347.87	7.69	-31.97
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020265384	0	46	-1.0	-42.38	372.36	9.85	-32.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020265384	1	46	-1.0	-42.37	372.40	9.84	-32.53
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265385	0	48	-1.0	-42.19	378.19	8.00	-34.19
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265385	1	48	-1.0	-42.19	378.25	8.02	-34.17
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265386	0	45	-1.0	-47.25	361.56	7.45	-39.80
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265386	1	45	-1.0	-47.22	361.50	7.43	-39.79
CCCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265387	0	52	-1.0	-44.27	410.86	10.18	-34.09
CCCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265387	1	52	-1.0	-44.27	410.89	10.18	-34.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020265388	0	46	-1.0	-40.74	402.87	8.32	-32.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020265388	1	46	-1.0	-40.74	402.92	8.34	-32.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020265389	0	43	-1.0	-43.20	377.27	7.64	-35.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020265389	1	43	-1.0	-43.18	377.21	7.62	-35.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020265390	0	52	-1.0	-42.20	414.91	8.11	-34.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020265390	1	52	-1.0	-42.24	414.96	8.12	-34.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020265391	0	49	-1.0	-45.91	392.27	7.15	-38.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020265391	1	49	-1.0	-45.91	392.33	7.18	-38.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020265392	0	55	0.0	-68.16	422.28	10.26	-57.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265392	1	55	0.0	-69.95	411.04	10.68	-59.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020265392	1	55	0.0	-68.18	422.34	10.27	-57.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265392	1	55	0.0	-69.93	411.10	10.70	-59.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020265393	0	52	0.0	-67.19	400.61	9.47	-57.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265393	1	52	0.0	-69.05	384.02	10.00	-59.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020265393	1	52	0.0	-67.13	400.67	9.49	-57.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265393	1	52	0.0	-69.06	384.08	10.02	-59.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020265394	0	47	-1.0	-45.41	388.79	6.14	-39.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020265394	1	47	-1.0	-45.41	388.85	6.15	-39.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020265395	0	44	-1.0	-48.04	367.17	5.32	-42.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020265395	1	44	-1.0	-48.01	367.23	5.35	-42.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020265396	0	45	-1.0	-40.70	350.87	6.61	-34.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020265396	1	45	-1.0	-40.70	350.93	6.62	-34.08
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCCC1	REAL300020265397	0	49	-1.0	-42.98	363.99	9.21	-33.77
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCCC1	REAL300020265397	1	49	-1.0	-42.99	364.00	9.20	-33.79
CCSC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020265398	0	49	-1.0	-42.44	394.25	8.17	-34.27
CCSC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020265398	1	49	-1.0	-42.49	394.31	8.19	-34.30
CCSC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020265399	0	46	-1.0	-43.29	377.24	7.56	-35.73
CCSC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020265399	1	46	-1.0	-43.24	377.30	7.58	-35.66
CCSC1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020265400	0	53	-1.0	-44.73	423.48	10.65	-34.08
CCSC1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020265400	1	53	-1.0	-44.44	427.78	10.42	-34.02
CCSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265401	0	48	-1.0	-39.55	387.52	8.48	-31.07
CCSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265401	1	48	-1.0	-39.60	387.58	8.50	-31.10
CCSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265402	0	45	-1.0	-41.51	369.95	7.83	-33.68
CCSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265402	1	45	-1.0	-41.53	369.99	7.85	-33.68
CCSCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265403	0	52	-1.0	-41.90	414.61	10.70	-31.20
CCSCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265403	1	52	-1.0	-41.93	414.64	10.69	-31.24
CCC1=NSC(N2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)=N1	REAL300020265404	0	49	-1.0	-46.07	383.79	6.00	-40.07
CCC1=NSC(N2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)=N1	REAL300020265404	1	49	-1.0	-46.10	383.85	6.02	-40.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC3=CC=CC=C32)C1	REAL300020265405	0	50	-1.0	-48.13	413.25	8.98	-39.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC3=CC=CC=C32)C1	REAL300020265405	1	50	-1.0	-48.16	413.31	9.01	-39.15
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(S(C)=O)C=C1	REAL300020265406	0	50	-1.0	-51.39	421.58	6.61	-44.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(S(C)=O)C=C1	REAL300020265406	1	50	-1.0	-51.42	421.63	6.63	-44.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(S(C)=O)C=C1	REAL300020265407	0	47	-1.0	-53.92	400.14	5.79	-48.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(S(C)=O)C=C1	REAL300020265407	1	47	-1.0	-53.95	400.21	5.82	-48.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)OC(C1=CC=CC=C1)=C2	REAL300020265408	0	50	-1.0	-41.87	410.84	10.09	-31.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)OC(C1=CC=CC=C1)=C2	REAL300020265408	1	50	-1.0	-41.89	410.90	10.11	-31.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)OC(C1=CC=CC=C1)=C2	REAL300020265409	0	47	-1.0	-43.48	389.03	9.49	-33.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)OC(C1=CC=CC=C1)=C2	REAL300020265409	1	47	-1.0	-43.48	389.09	9.51	-33.97
CCCCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1(C)C	REAL300020265410	0	58	-1.0	-42.13	447.91	9.07	-33.06
CCCCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1(C)C	REAL300020265410	1	58	-1.0	-42.09	447.97	9.09	-33.00
CCCCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C1(C)C	REAL300020265411	0	55	-1.0	-43.78	421.38	8.46	-35.32
CCCCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C1(C)C	REAL300020265411	1	55	-1.0	-43.77	421.43	8.48	-35.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020265412	0	52	-1.0	-40.64	412.66	10.14	-30.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020265412	1	52	-1.0	-40.68	412.72	10.15	-30.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020265413	0	49	-1.0	-44.23	393.57	9.49	-34.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020265413	1	49	-1.0	-44.27	393.62	9.51	-34.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN3C=NN=C23)C(C)C1	REAL300020265414	0	49	-1.0	-49.54	390.77	9.88	-39.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN3C=NN=C23)C(C)C1	REAL300020265414	1	49	-1.0	-49.49	390.73	9.86	-39.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020265415	0	46	-1.0	-39.73	377.21	9.00	-30.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020265415	1	46	-1.0	-39.77	377.26	9.01	-30.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020265416	0	43	-1.0	-45.11	345.10	7.06	-38.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020265416	1	43	-1.0	-45.09	345.04	7.04	-38.05
CCCOC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CCC2=C1	REAL300020265417	0	53	-1.0	-44.24	419.10	8.51	-35.73
CCCOC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CCC2=C1	REAL300020265417	1	53	-1.0	-44.24	419.16	8.53	-35.71
CCCOC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CCC2=C1	REAL300020265418	0	50	-1.0	-46.39	393.65	7.79	-38.60
CCCOC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CCC2=C1	REAL300020265418	1	50	-1.0	-46.37	393.72	7.80	-38.57
C#CCN1C=CC(CN(CCOC)C2=NN=C(CCC3=N[N-]N=N3)N2CC)=N1	REAL300020265419	0	51	-1.0	-44.69	429.45	6.38	-38.31
C#CCN1C=CC(CN(CCOC)C2=NN=C(CCC3=NN=N[N-]3)N2CC)=N1	REAL300020265419	1	51	-1.0	-44.67	429.51	6.40	-38.27
C#CCN1C=CC(CN(CCOC)C2=NN=C(CC3=N[N-]N=N3)N2CC)=N1	REAL300020265420	0	48	-1.0	-47.03	407.94	5.61	-41.42
C#CCN1C=CC(CN(CCOC)C2=NN=C(CC3=NN=N[N-]3)N2CC)=N1	REAL300020265420	1	48	-1.0	-47.01	408.00	5.64	-41.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020265421	0	52	-1.0	-40.69	394.33	6.94	-33.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020265421	1	52	-1.0	-40.67	394.38	6.95	-33.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020265422	0	49	-1.0	-45.72	378.97	5.83	-39.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020265422	1	49	-1.0	-45.68	379.03	5.85	-39.83
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020265423	0	56	-1.0	-41.76	426.25	8.18	-33.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020265423	1	56	-1.0	-41.76	426.28	8.16	-33.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1=CC=C(C)C=C1	REAL300020265424	0	50	-1.0	-50.75	404.28	10.34	-40.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1=CC=C(C)C=C1	REAL300020265424	1	50	-1.0	-50.79	404.34	10.37	-40.42
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265425	0	47	-1.0	-41.76	354.49	6.84	-34.92
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265425	1	47	-1.0	-41.78	354.55	6.85	-34.93
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265426	0	51	-1.0	-43.53	391.17	8.96	-34.57
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265426	1	51	-1.0	-43.46	391.21	8.96	-34.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020265427	0	46	-1.0	-43.10	371.01	8.11	-34.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020265427	1	46	-1.0	-43.09	371.07	8.13	-34.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020265428	0	43	-1.0	-49.26	343.66	7.32	-41.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020265428	1	43	-1.0	-49.30	343.66	7.31	-41.99
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020265429	0	50	-1.0	-44.59	385.66	10.95	-33.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020265429	1	50	-1.0	-44.48	385.69	10.94	-33.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020265430	0	49	-1.0	-40.84	398.85	7.32	-33.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020265430	1	49	-1.0	-40.84	398.90	7.33	-33.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020265431	0	46	-1.0	-43.40	377.48	6.51	-36.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020265431	1	46	-1.0	-43.41	377.43	6.49	-36.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020265432	0	49	-1.0	-42.96	387.55	10.14	-32.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020265432	1	49	-1.0	-42.95	387.61	10.15	-32.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020265433	0	46	-1.0	-44.53	370.88	9.54	-34.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020265433	1	46	-1.0	-44.53	370.82	9.51	-35.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020265434	0	48	-1.0	-49.40	408.63	4.72	-44.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(S(C)(=O)=O)C=C1	REAL300020265434	1	48	-1.0	-49.39	408.69	4.75	-44.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020265435	0	48	-1.0	-40.79	394.04	8.15	-32.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020265435	1	48	-1.0	-40.82	394.11	8.16	-32.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020265436	0	45	-1.0	-43.21	377.89	7.53	-35.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020265436	1	45	-1.0	-43.21	377.83	7.51	-35.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020265437	0	45	-1.0	-41.73	362.23	5.04	-36.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020265437	1	45	-1.0	-41.73	362.29	5.05	-36.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020265438	0	42	-1.0	-45.09	335.94	4.51	-40.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020265438	1	42	-1.0	-45.10	335.99	4.53	-40.57
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020265439	0	49	-1.0	-43.89	387.59	7.22	-36.67
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020265439	1	49	-1.0	-43.87	387.65	7.21	-36.66
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1	REAL300020265440	0	41	-1.0	-41.32	344.39	7.90	-33.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1	REAL300020265440	1	41	-1.0	-41.31	344.43	7.90	-33.41
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC)C(C)C	REAL300020265441	0	45	-1.0	-42.89	349.18	7.24	-35.65
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC)C(C)C	REAL300020265441	1	45	-1.0	-42.84	349.20	7.22	-35.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020265442	0	47	-1.0	-39.55	405.82	10.21	-29.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020265442	1	47	-1.0	-39.55	405.88	10.23	-29.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020265443	0	44	-1.0	-42.69	378.27	9.54	-33.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020265443	1	44	-1.0	-42.69	378.32	9.56	-33.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020265444	0	43	-1.0	-42.05	342.58	3.64	-38.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020265444	1	43	-1.0	-42.10	342.64	3.65	-38.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020265445	0	47	-1.0	-44.08	371.57	5.50	-38.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020265445	1	47	-1.0	-44.05	371.61	5.49	-38.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=C(C)NC3=CC=CC=C32)CC1	REAL300020265446	0	51	-1.0	-45.29	416.63	9.60	-35.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=C(C)NC3=CC=CC=C32)CC1	REAL300020265446	1	51	-1.0	-45.29	416.68	9.62	-35.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020265447	0	45	-1.0	-40.22	357.39	7.39	-32.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020265447	1	45	-1.0	-40.22	357.45	7.41	-32.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020265448	0	42	-1.0	-41.71	335.94	6.63	-35.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020265448	1	42	-1.0	-41.70	335.88	6.61	-35.09
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020265449	0	49	-1.0	-41.94	384.48	9.32	-32.62
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020265449	1	49	-1.0	-41.89	384.52	9.31	-32.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020265450	0	50	-1.0	-46.59	390.96	7.95	-38.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020265450	1	50	-1.0	-46.55	391.02	7.96	-38.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020265451	0	47	-1.0	-43.35	375.96	6.51	-36.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020265451	1	47	-1.0	-43.34	376.02	6.53	-36.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020265452	0	50	-1.0	-53.12	393.58	8.02	-45.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020265452	1	50	-1.0	-53.13	393.64	8.05	-45.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020265453	0	50	-1.0	-48.50	394.78	8.29	-40.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020265453	1	50	-1.0	-48.53	394.84	8.32	-40.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=CC(C)=C2)CC1	REAL300020265454	0	53	-1.0	-49.90	409.75	8.89	-41.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=CC(C)=C2)CC1	REAL300020265454	1	53	-1.0	-49.98	409.81	8.92	-41.06
CCN(CC)C(=O)CN1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020265455	0	57	-1.0	-47.69	432.27	5.68	-42.01
CCN(CC)C(=O)CN1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020265455	1	57	-1.0	-47.72	432.32	5.70	-42.02
CCN(CC)C(=O)C[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020265455	1	58	0.0	-70.62	441.69	8.26	-62.36
CCN(CC)C(=O)C[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020265455	1	58	0.0	-71.05	435.91	8.19	-62.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC(=O)N2CCCC2)CC1	REAL300020265456	0	55	-1.0	-50.74	425.73	5.62	-45.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC(=O)N2CCCC2)CC1	REAL300020265456	1	55	-1.0	-50.79	425.78	5.64	-45.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC(=O)N2CCCC2)CC1	REAL300020265456	1	56	0.0	-71.55	422.02	7.56	-63.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1	REAL300020265456	1	56	0.0	-71.61	413.62	7.92	-63.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020265457	0	47	-1.0	-43.07	378.59	5.93	-37.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020265457	1	47	-1.0	-43.10	378.64	5.94	-37.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020265458	0	44	-1.0	-44.48	359.78	4.95	-39.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020265458	1	44	-1.0	-44.51	359.83	4.97	-39.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020265459	0	45	-1.0	-42.95	363.84	8.36	-34.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020265459	1	45	-1.0	-42.98	363.89	8.37	-34.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020265460	0	42	-1.0	-46.29	350.59	7.26	-39.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020265460	1	42	-1.0	-46.31	350.52	7.23	-39.08
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020265461	0	49	-1.0	-45.15	392.34	10.47	-34.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020265461	1	49	-1.0	-45.10	392.37	10.46	-34.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020265462	0	53	-1.0	-39.92	432.05	10.18	-29.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020265462	1	53	-1.0	-39.91	432.10	10.19	-29.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020265463	0	50	-1.0	-42.22	410.04	9.57	-32.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020265463	1	50	-1.0	-42.24	410.10	9.59	-32.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300020265464	0	46	-1.0	-41.58	390.25	8.97	-32.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300020265464	1	46	-1.0	-41.58	390.31	9.00	-32.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C(C)C1=CC=CC=C1Cl)C1CC1	REAL300020265465	0	49	-1.0	-42.08	403.71	9.24	-32.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C(C)C1=CC=CC=C1Cl)C1CC1	REAL300020265465	1	49	-1.0	-42.07	403.76	9.25	-32.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C(C)C1=CC=CC=C1Cl)C1CC1	REAL300020265466	0	46	-1.0	-45.10	389.63	8.47	-36.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C(C)C1=CC=CC=C1Cl)C1CC1	REAL300020265466	1	46	-1.0	-45.10	389.69	8.49	-36.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020265467	0	47	-1.0	-40.66	370.88	5.88	-34.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020265467	1	47	-1.0	-40.63	370.93	5.90	-34.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020265468	0	44	-1.0	-43.21	353.47	5.41	-37.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020265468	1	44	-1.0	-43.21	353.52	5.42	-37.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020265469	0	51	-1.0	-42.54	401.77	8.41	-34.13
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020265469	1	51	-1.0	-42.54	401.78	8.40	-34.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020265470	0	52	-1.0	-41.41	427.46	11.66	-29.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020265470	1	52	-1.0	-41.38	427.52	11.67	-29.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020265471	0	49	-1.0	-43.78	405.51	10.66	-33.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020265471	1	49	-1.0	-43.80	405.45	10.64	-33.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020265472	0	46	-1.0	-39.33	398.35	9.55	-29.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020265472	1	46	-1.0	-39.33	398.41	9.57	-29.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020265473	0	43	-1.0	-41.15	376.85	8.76	-32.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020265473	1	43	-1.0	-41.15	376.91	8.78	-32.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020265474	0	46	-1.0	-39.92	385.52	8.77	-31.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020265474	1	46	-1.0	-39.90	385.58	8.78	-31.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020265475	0	43	-1.0	-40.99	363.31	8.15	-32.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020265475	1	43	-1.0	-40.96	363.33	8.17	-32.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1C(F)(F)F)C1CC1	REAL300020265476	0	46	-1.0	-51.47	379.68	9.43	-42.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1C(F)(F)F)C1CC1	REAL300020265476	1	46	-1.0	-51.44	379.74	9.46	-41.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020265477	0	46	-1.0	-40.66	391.74	9.20	-31.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020265477	1	46	-1.0	-40.65	391.80	9.21	-31.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020265478	0	43	-1.0	-43.05	363.05	8.33	-34.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020265478	1	43	-1.0	-43.06	362.99	8.31	-34.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020265479	0	50	-1.0	-41.96	403.16	8.64	-33.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020265479	1	50	-1.0	-42.01	403.22	8.65	-33.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020265480	0	47	-1.0	-44.81	381.71	7.88	-36.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020265480	1	47	-1.0	-44.82	381.65	7.85	-36.97
CCC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C2CC2)C=C1	REAL300020265481	0	52	-1.0	-39.77	415.92	10.21	-29.56
CCC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C2CC2)C=C1	REAL300020265481	1	52	-1.0	-39.80	415.98	10.22	-29.58
CCC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C2CC2)C=C1	REAL300020265482	0	49	-1.0	-42.41	403.05	9.70	-32.71
CCC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C2CC2)C=C1	REAL300020265482	1	49	-1.0	-42.42	403.00	9.68	-32.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020265483	0	43	-1.0	-41.70	359.27	7.33	-34.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020265483	1	43	-1.0	-41.69	359.32	7.35	-34.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020265484	0	40	-1.0	-41.74	351.11	7.42	-34.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020265484	1	40	-1.0	-41.75	351.05	7.39	-34.36
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020265485	0	47	-1.0	-41.36	390.47	9.86	-31.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020265485	1	47	-1.0	-41.32	390.51	9.85	-31.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020265486	0	45	-1.0	-40.16	386.08	8.53	-31.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020265486	1	45	-1.0	-40.17	386.14	8.54	-31.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020265487	0	42	-1.0	-43.89	362.46	7.77	-36.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020265487	1	42	-1.0	-43.88	362.41	7.75	-36.13
CCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020265488	0	51	-1.0	-40.55	382.86	7.59	-32.96
CCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020265488	1	51	-1.0	-40.56	382.91	7.60	-32.96
CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020265489	0	48	-1.0	-42.62	368.43	7.07	-35.55
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020265489	1	48	-1.0	-42.60	368.49	7.10	-35.50
CCC1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020265490	0	55	-1.0	-42.74	405.01	10.29	-32.45
CCC1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020265490	1	55	-1.0	-42.72	405.06	10.29	-32.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020265491	0	48	-1.0	-40.36	369.55	7.10	-33.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020265491	1	48	-1.0	-40.34	369.60	7.11	-33.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020265492	0	45	-1.0	-42.88	345.87	7.16	-35.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020265492	1	45	-1.0	-42.87	345.93	7.18	-35.69
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC(C)C1	REAL300020265493	0	52	-1.0	-42.46	394.15	9.88	-32.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC(C)C1	REAL300020265493	1	52	-1.0	-42.44	394.19	9.87	-32.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020265494	0	45	-1.0	-39.35	386.09	8.54	-30.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020265494	1	45	-1.0	-39.32	386.14	8.55	-30.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020265495	0	42	-1.0	-41.56	364.71	7.74	-33.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020265495	1	42	-1.0	-41.54	364.65	7.72	-33.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020265496	0	42	-1.0	-40.69	329.31	6.43	-34.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020265496	1	42	-1.0	-40.67	329.36	6.45	-34.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020265497	0	39	-1.0	-43.23	316.12	5.94	-37.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020265497	1	39	-1.0	-43.25	316.06	5.91	-37.34
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020265498	0	46	-1.0	-42.83	363.15	8.55	-34.28
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020265498	1	46	-1.0	-42.80	363.18	8.54	-34.26
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020265499	0	46	-1.0	-43.21	354.39	8.71	-34.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020265499	1	46	-1.0	-43.17	354.43	8.70	-34.47
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1(CC)CC	REAL300020265500	0	58	-1.0	-41.37	429.46	9.48	-31.89
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1(CC)CC	REAL300020265500	1	58	-1.0	-41.37	429.51	9.50	-31.87
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C1(CC)CC	REAL300020265501	0	55	-1.0	-42.05	396.62	8.86	-33.19
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C1(CC)CC	REAL300020265501	1	55	-1.0	-42.06	396.66	8.86	-33.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1C	REAL300020265502	0	43	-1.0	-44.17	366.67	7.97	-36.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1C	REAL300020265502	1	43	-1.0	-44.19	366.72	7.98	-36.21
CCNS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020265503	0	47	-1.0	-50.67	378.04	1.97	-48.70
CCNS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020265503	1	47	-1.0	-50.68	378.10	1.98	-48.70
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020265504	0	44	-1.0	-51.92	362.44	1.13	-50.79
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020265504	1	44	-1.0	-51.93	362.49	1.15	-50.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(N2CCOC2=O)=C1	REAL300020265505	0	51	-1.0	-53.22	414.37	7.30	-45.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(N2CCOC2=O)=C1	REAL300020265505	1	51	-1.0	-53.21	414.42	7.32	-45.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020265506	0	45	-1.0	-39.47	376.08	7.49	-31.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020265506	1	45	-1.0	-39.43	376.13	7.50	-31.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020265507	0	42	-1.0	-41.61	350.74	6.78	-34.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020265507	1	42	-1.0	-41.64	350.81	6.80	-34.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020265508	0	45	-1.0	-41.90	366.65	7.82	-34.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020265508	1	45	-1.0	-41.90	366.71	7.83	-34.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020265509	0	42	-1.0	-44.27	344.96	7.21	-37.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020265509	1	42	-1.0	-44.26	345.01	7.23	-37.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1C	REAL300020265510	0	43	-1.0	-43.70	365.14	7.81	-35.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1C	REAL300020265510	1	43	-1.0	-43.68	365.18	7.82	-35.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C#N)CC1C	REAL300020265511	0	50	-1.0	-48.27	417.92	4.75	-43.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C#N)CC1C	REAL300020265511	1	50	-1.0	-48.24	417.86	4.73	-43.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C#N)CC1C	REAL300020265512	0	47	-1.0	-51.14	391.14	3.98	-47.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C#N)CC1C	REAL300020265512	1	47	-1.0	-51.16	391.09	3.97	-47.19
CCOC1=CC=NC(N2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)=N1	REAL300020265513	0	53	-1.0	-44.31	420.89	6.68	-37.63
CCOC1=CC=NC(N2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)=N1	REAL300020265513	1	53	-1.0	-44.31	420.83	6.67	-37.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020265514	0	46	-1.0	-42.89	367.26	7.56	-35.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020265514	1	46	-1.0	-42.90	367.31	7.58	-35.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020265515	0	43	-1.0	-44.72	346.03	6.96	-37.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020265515	1	43	-1.0	-44.73	346.08	6.98	-37.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020265516	0	50	-1.0	-47.49	400.56	3.76	-43.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020265516	1	50	-1.0	-47.47	400.62	3.78	-43.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020265517	0	47	-1.0	-50.58	379.09	2.98	-47.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020265517	1	47	-1.0	-50.53	379.15	3.00	-47.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020265518	0	49	-1.0	-41.98	362.47	6.46	-35.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020265518	1	49	-1.0	-41.98	362.53	6.48	-35.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020265519	0	46	-1.0	-44.06	342.01	5.52	-38.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020265519	1	46	-1.0	-44.07	342.07	5.55	-38.52
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCCCCC21	REAL300020265520	0	53	-1.0	-42.75	390.69	9.68	-33.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCCCCC21	REAL300020265520	1	53	-1.0	-42.74	390.89	9.69	-33.05
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C12CCC2	REAL300020265521	0	53	-1.0	-42.29	414.31	7.90	-34.39
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C12CCC2	REAL300020265521	1	53	-1.0	-42.26	414.37	7.91	-34.35
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C12CCC2	REAL300020265522	0	50	-1.0	-41.77	392.31	7.15	-34.62
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C12CCC2	REAL300020265522	1	50	-1.0	-41.75	392.37	7.18	-34.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020265523	0	55	-1.0	-41.44	407.66	8.51	-32.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020265523	1	55	-1.0	-41.44	407.71	8.52	-32.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020265524	0	52	-1.0	-42.20	374.76	7.89	-34.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020265524	1	52	-1.0	-42.17	374.83	7.90	-34.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020265525	0	43	-1.0	-44.46	354.92	7.37	-37.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020265525	1	43	-1.0	-44.47	354.98	7.38	-37.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020265526	0	40	-1.0	-44.64	340.27	7.64	-37.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020265526	1	40	-1.0	-44.69	340.21	7.62	-37.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020265527	0	55	-1.0	-41.53	402.79	9.36	-32.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020265527	1	55	-1.0	-41.51	402.85	9.38	-32.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020265528	0	52	-1.0	-43.84	391.96	8.90	-34.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020265528	1	52	-1.0	-43.85	392.02	8.93	-34.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300020265529	0	48	-1.0	-42.83	406.82	8.67	-34.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300020265529	1	48	-1.0	-42.77	406.88	8.68	-34.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300020265530	0	45	-1.0	-44.56	382.45	7.76	-36.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300020265530	1	45	-1.0	-44.59	382.51	7.78	-36.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020265531	0	48	-1.0	-42.84	375.37	8.82	-34.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020265531	1	48	-1.0	-42.87	375.43	8.84	-34.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020265532	0	45	-1.0	-42.94	360.27	7.67	-35.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020265532	1	45	-1.0	-42.96	360.21	7.65	-35.31
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020265533	0	52	-1.0	-42.43	402.02	10.90	-31.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020265533	1	52	-1.0	-42.41	402.08	10.89	-31.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020265534	0	45	-1.0	-42.94	365.27	8.29	-34.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020265534	1	45	-1.0	-42.94	365.33	8.31	-34.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020265535	0	42	-1.0	-43.65	357.04	7.32	-36.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020265535	1	42	-1.0	-43.63	356.98	7.30	-36.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC(C)=C1	REAL300020265536	0	52	-1.0	-40.81	433.37	10.07	-30.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC(C)=C1	REAL300020265536	1	52	-1.0	-40.83	433.42	10.08	-30.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC(C)=C1	REAL300020265537	0	49	-1.0	-45.66	400.67	9.03	-36.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC(C)=C1	REAL300020265537	1	49	-1.0	-45.66	400.62	9.00	-36.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020265538	0	46	-1.0	-43.05	383.54	10.13	-32.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020265538	1	46	-1.0	-43.06	383.60	10.15	-32.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020265539	0	43	-1.0	-45.39	363.39	9.50	-35.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020265539	1	43	-1.0	-45.36	363.33	9.48	-35.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020265540	0	46	-1.0	-42.15	382.86	9.98	-32.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020265540	1	46	-1.0	-42.16	382.92	10.00	-32.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020265541	0	43	-1.0	-41.68	349.71	7.80	-33.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020265541	1	43	-1.0	-41.73	349.80	7.82	-33.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C(C)(C)C)C=C1	REAL300020265542	0	58	-1.0	-42.76	442.35	11.78	-30.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C(C)(C)C)C=C1	REAL300020265542	1	58	-1.0	-42.76	442.41	11.80	-30.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C(C)(C)C)C=C1	REAL300020265543	0	55	-1.0	-43.00	414.62	9.50	-33.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C(C)(C)C)C=C1	REAL300020265543	1	55	-1.0	-43.02	414.67	9.53	-33.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020265544	0	46	-1.0	-43.27	382.97	9.93	-33.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020265544	1	46	-1.0	-43.31	383.02	9.94	-33.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020265545	0	43	-1.0	-41.41	349.99	7.87	-33.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020265545	1	43	-1.0	-41.40	349.94	7.84	-33.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020265546	0	43	-1.0	-43.07	382.96	9.55	-33.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020265546	1	43	-1.0	-43.07	383.01	9.57	-33.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020265547	0	52	-1.0	-42.54	383.27	9.39	-33.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020265547	1	52	-1.0	-42.53	383.33	9.41	-33.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020265548	0	49	-1.0	-47.25	361.35	8.92	-38.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020265548	1	49	-1.0	-47.25	361.41	8.95	-38.30
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCCCC1	REAL300020265549	0	56	-1.0	-41.66	407.46	9.71	-31.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCCCC1	REAL300020265549	1	56	-1.0	-41.60	407.49	9.70	-31.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020265550	0	49	-1.0	-41.24	375.70	8.19	-33.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020265550	1	49	-1.0	-41.29	375.76	8.20	-33.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020265551	0	46	-1.0	-44.55	357.64	7.56	-36.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020265551	1	46	-1.0	-44.59	357.59	7.53	-37.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020265552	0	49	-1.0	-42.92	387.64	10.09	-32.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020265552	1	49	-1.0	-42.93	387.70	10.10	-32.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020265553	0	46	-1.0	-42.10	355.13	7.86	-34.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020265553	1	46	-1.0	-42.12	355.07	7.84	-34.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020265554	0	43	-1.0	-40.54	363.49	8.02	-32.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020265554	1	43	-1.0	-40.55	363.55	8.03	-32.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020265555	0	40	-1.0	-45.16	334.48	7.52	-37.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020265555	1	40	-1.0	-45.19	334.43	7.49	-37.70
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020265556	0	47	-1.0	-43.51	389.73	10.16	-33.35
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020265556	1	47	-1.0	-43.47	389.77	10.15	-33.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020265557	0	48	-1.0	-40.83	385.81	8.49	-32.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020265557	1	48	-1.0	-40.84	385.86	8.51	-32.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020265558	0	45	-1.0	-53.56	360.55	6.93	-46.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020265558	1	45	-1.0	-53.56	360.49	6.90	-46.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020265559	0	48	-1.0	-39.83	384.19	8.45	-31.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020265559	1	48	-1.0	-39.87	384.25	8.46	-31.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020265560	0	45	-1.0	-41.66	361.75	7.58	-34.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020265560	1	45	-1.0	-41.67	361.69	7.56	-34.11
CCN(CC1=CC=CC(Br)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265561	0	42	-1.0	-42.30	359.83	7.44	-34.86
CCN(CC1=CC=CC(Br)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265561	1	42	-1.0	-42.37	359.88	7.45	-34.92
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265562	0	48	-1.0	-42.10	380.57	9.72	-32.38
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265562	1	48	-1.0	-42.11	380.63	9.73	-32.38
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265563	0	45	-1.0	-42.25	363.89	8.52	-33.73
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265563	1	45	-1.0	-42.25	363.83	8.50	-33.75
CCN(CC1=CC=CC=C1C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265564	0	52	-1.0	-45.33	402.55	10.75	-34.58
CCN(CC1=CC=CC=C1C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265564	1	52	-1.0	-45.25	402.59	10.74	-34.51
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265565	0	45	-1.0	-40.12	384.87	8.60	-31.52
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265565	1	45	-1.0	-40.10	384.93	8.61	-31.49
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265566	0	42	-1.0	-42.40	355.33	7.35	-35.05
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265566	1	42	-1.0	-42.42	355.26	7.33	-35.09
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265567	0	45	-1.0	-42.64	367.04	8.05	-34.59
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265567	1	45	-1.0	-42.62	367.10	8.06	-34.56
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265568	0	42	-1.0	-46.77	354.83	7.42	-39.35
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265568	1	42	-1.0	-46.78	354.77	7.39	-39.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020265569	0	48	-1.0	-42.35	409.86	9.70	-32.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020265569	1	48	-1.0	-42.33	409.92	9.72	-32.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020265570	0	45	-1.0	-42.79	388.36	8.91	-33.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020265570	1	45	-1.0	-42.80	388.42	8.93	-33.87
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020265571	0	48	-1.0	-44.80	413.55	9.80	-35.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020265571	1	48	-1.0	-44.81	413.61	9.82	-34.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020265572	0	45	-1.0	-43.38	378.38	8.53	-34.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020265572	1	45	-1.0	-43.37	378.44	8.56	-34.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020265573	0	48	-1.0	-40.58	383.42	8.38	-32.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020265573	1	48	-1.0	-40.59	383.48	8.39	-32.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020265574	0	45	-1.0	-40.26	367.54	8.00	-32.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020265574	1	45	-1.0	-40.22	367.48	7.98	-32.24
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC)C(C)C	REAL300020265575	0	50	-1.0	-41.25	384.52	7.59	-33.66
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC)C(C)C	REAL300020265575	1	50	-1.0	-41.24	384.58	7.61	-33.63
CCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC)C(C)C	REAL300020265576	0	47	-1.0	-44.38	363.48	6.79	-37.59
CCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC)C(C)C	REAL300020265576	1	47	-1.0	-44.45	363.54	6.81	-37.64
CCCCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC)C(C)C	REAL300020265577	0	54	-1.0	-43.03	413.67	9.53	-33.50
CCCCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC)C(C)C	REAL300020265577	1	54	-1.0	-42.95	413.70	9.52	-33.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020265578	0	48	-1.0	-40.16	396.10	8.94	-31.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020265578	1	48	-1.0	-40.15	396.16	8.95	-31.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020265579	0	45	-1.0	-49.37	370.88	7.37	-42.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020265579	1	45	-1.0	-49.36	370.83	7.34	-42.02
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265580	0	45	-1.0	-40.18	377.38	8.20	-31.98
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265580	1	45	-1.0	-40.19	377.43	8.22	-31.97
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265581	0	42	-1.0	-42.46	360.43	8.56	-33.90
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265581	1	42	-1.0	-42.45	360.38	8.54	-33.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020265582	0	45	-1.0	-39.40	361.56	8.22	-31.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020265582	1	45	-1.0	-39.41	361.62	8.23	-31.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020265583	0	42	-1.0	-41.67	343.45	7.28	-34.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020265583	1	42	-1.0	-41.65	343.39	7.26	-34.39
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020265584	0	49	-1.0	-41.19	390.95	10.36	-30.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020265584	1	49	-1.0	-41.16	390.95	10.35	-30.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020265585	0	47	-1.0	-41.60	369.25	4.12	-37.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020265585	1	47	-1.0	-41.58	369.31	4.14	-37.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020265586	0	44	-1.0	-41.96	358.66	3.35	-38.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020265586	1	44	-1.0	-41.97	358.71	3.37	-38.60
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020265587	0	51	-1.0	-44.14	398.40	6.19	-37.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020265587	1	51	-1.0	-44.15	398.43	6.18	-37.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020265588	0	42	-1.0	-51.76	347.71	2.17	-49.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020265588	1	42	-1.0	-51.76	347.76	2.18	-49.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020265589	0	39	-1.0	-49.15	330.14	1.61	-47.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020265589	1	39	-1.0	-49.14	330.20	1.63	-47.51
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020265590	0	46	-1.0	-53.80	368.56	4.76	-49.04
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020265590	1	46	-1.0	-53.77	368.60	4.76	-49.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020265591	0	52	-1.0	-47.81	432.02	11.44	-36.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020265591	1	52	-1.0	-47.76	431.95	11.40	-36.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020265592	0	49	-1.0	-42.36	406.26	7.06	-35.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020265592	1	49	-1.0	-42.33	406.32	7.07	-35.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020265593	0	46	-1.0	-44.66	384.83	6.29	-38.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020265593	1	46	-1.0	-44.64	384.89	6.31	-38.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2C1	REAL300020265594	0	51	-1.0	-43.49	406.54	7.58	-35.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2C1	REAL300020265594	1	51	-1.0	-43.47	406.60	7.59	-35.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2C1	REAL300020265595	0	48	-1.0	-45.86	385.05	6.79	-39.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2C1	REAL300020265595	1	48	-1.0	-45.89	385.10	6.82	-39.07
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC)C1CCS(=O)(=O)C1	REAL300020265596	0	45	-1.0	-50.73	363.11	3.23	-47.50
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC)C1CCS(=O)(=O)C1	REAL300020265596	1	45	-1.0	-50.69	363.19	3.25	-47.44
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC)C1CCS(=O)(=O)C1	REAL300020265597	0	42	-1.0	-46.63	337.04	2.66	-43.97
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC)C1CCS(=O)(=O)C1	REAL300020265597	1	42	-1.0	-46.66	337.10	2.68	-43.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020265598	0	52	-1.0	-41.74	421.97	7.93	-33.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020265598	1	52	-1.0	-41.78	422.03	7.95	-33.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020265599	0	49	-1.0	-42.51	396.75	7.21	-35.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020265599	1	49	-1.0	-42.55	396.81	7.23	-35.32
CCN(CC1COC2=CC=CC=C2O1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265600	0	51	-1.0	-43.47	400.48	6.89	-36.58
CCN(CC1COC2=CC=CC=C2O1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265600	1	51	-1.0	-43.44	400.53	6.90	-36.54
CCN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265601	0	48	-1.0	-44.98	385.90	6.33	-38.65
CCN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265601	1	48	-1.0	-44.98	385.95	6.35	-38.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020265602	0	52	-1.0	-42.30	419.71	7.73	-34.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020265602	1	52	-1.0	-42.29	419.77	7.74	-34.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020265603	0	49	-1.0	-44.75	398.21	7.00	-37.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020265603	1	49	-1.0	-44.78	398.27	7.02	-37.76
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265604	0	52	-1.0	-41.36	419.93	7.93	-33.43
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265604	1	52	-1.0	-41.33	419.99	7.94	-33.39
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265605	0	49	-1.0	-44.14	401.41	7.23	-36.91
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265605	1	49	-1.0	-44.17	401.47	7.25	-36.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020265606	0	48	-1.0	-40.62	364.69	7.01	-33.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020265606	1	48	-1.0	-40.58	364.75	7.02	-33.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020265607	0	45	-1.0	-42.59	343.18	6.22	-36.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020265607	1	45	-1.0	-42.57	343.23	6.24	-36.33
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC(C)CC1	REAL300020265608	0	52	-1.0	-42.33	391.54	8.93	-33.40
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC(C)CC1	REAL300020265608	1	52	-1.0	-42.29	391.57	8.92	-33.37
CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265609	0	42	-1.0	-39.65	358.48	7.31	-32.34
CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265609	1	42	-1.0	-39.68	358.54	7.33	-32.35
CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265610	0	39	-1.0	-42.27	340.03	6.76	-35.51
CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265610	1	39	-1.0	-42.25	339.97	6.73	-35.52
CCN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265611	0	46	-1.0	-41.44	389.21	9.18	-32.26
CCN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265611	1	46	-1.0	-41.37	389.24	9.17	-32.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020265612	0	48	-1.0	-44.66	391.41	5.96	-38.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020265612	1	48	-1.0	-44.66	391.46	5.97	-38.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020265613	0	45	-1.0	-44.41	372.56	6.17	-38.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020265613	1	45	-1.0	-44.37	372.62	6.20	-38.17
CCOC1=CC2=C(C=C1OCC)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC)CC2	REAL300020265614	0	54	-1.0	-45.56	428.76	8.63	-36.93
CCOC1=CC2=C(C=C1OCC)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC)CC2	REAL300020265614	1	54	-1.0	-45.51	428.81	8.66	-36.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC(C)C(OC)C1=CC=CC=C1Cl	REAL300020265615	0	49	-1.0	-42.90	416.34	9.86	-33.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC(C)C(OC)C1=CC=CC=C1Cl	REAL300020265615	1	49	-1.0	-42.93	416.40	9.88	-33.05
CCN1C(CC2=N[N-]N=N2)=NN=C1NC(C)C(OC)C1=CC=CC=C1Cl	REAL300020265616	0	46	-1.0	-45.59	394.42	8.73	-36.86
CCN1C(CC2=NN=N[N-]2)=NN=C1NC(C)C(OC)C1=CC=CC=C1Cl	REAL300020265616	1	46	-1.0	-45.62	394.48	8.76	-36.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020265617	0	47	-1.0	-46.69	402.02	9.32	-37.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020265617	1	47	-1.0	-46.66	402.08	9.33	-37.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020265618	0	44	-1.0	-48.58	380.46	8.54	-40.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020265618	1	44	-1.0	-48.58	380.52	8.56	-40.02
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020265619	0	48	-1.0	-44.88	396.02	5.84	-39.04
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020265619	1	48	-1.0	-44.89	396.07	5.85	-39.04
C#CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020265620	0	45	-1.0	-45.28	374.52	5.05	-40.23
C#CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020265620	1	45	-1.0	-45.29	374.58	5.08	-40.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020265621	0	47	-1.0	-49.37	383.73	4.40	-44.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020265621	1	47	-1.0	-49.35	383.79	4.42	-44.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020265622	0	44	-1.0	-51.88	366.40	3.76	-48.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020265622	1	44	-1.0	-51.88	366.46	3.77	-48.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020265623	0	47	-1.0	-49.40	370.79	4.23	-45.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020265623	1	47	-1.0	-49.44	370.84	4.24	-45.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020265624	0	44	-1.0	-52.49	357.22	3.27	-49.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020265624	1	44	-1.0	-52.49	357.28	3.29	-49.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020265625	0	46	-1.0	-43.83	368.35	8.17	-35.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020265625	1	46	-1.0	-43.77	368.40	8.19	-35.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020265626	0	43	-1.0	-44.61	350.60	7.54	-37.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020265626	1	43	-1.0	-44.55	350.55	7.52	-37.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC21	REAL300020265627	0	44	-1.0	-43.66	339.42	6.97	-36.69
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC21	REAL300020265627	1	44	-1.0	-43.62	339.47	6.97	-36.65
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265628	0	51	-1.0	-42.88	408.60	9.28	-33.60
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265628	1	51	-1.0	-42.92	408.65	9.30	-33.62
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265629	0	48	-1.0	-45.37	391.30	8.64	-36.73
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265629	1	48	-1.0	-45.36	391.35	8.67	-36.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020265630	0	49	-1.0	-42.42	409.28	10.29	-32.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020265630	1	49	-1.0	-42.45	409.34	10.31	-32.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020265631	0	46	-1.0	-43.60	381.79	8.88	-34.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020265631	1	46	-1.0	-43.61	381.84	8.90	-34.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020265632	0	54	-1.0	-41.28	378.60	8.34	-32.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020265632	1	54	-1.0	-41.29	378.66	8.36	-32.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020265633	0	51	-1.0	-42.89	369.38	7.79	-35.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020265633	1	51	-1.0	-42.87	369.43	7.81	-35.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020265634	0	58	-1.0	-42.09	420.03	10.60	-31.49
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020265634	1	58	-1.0	-42.03	420.06	10.59	-31.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020265635	0	51	-1.0	-40.04	370.98	8.57	-31.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020265635	1	51	-1.0	-40.04	371.04	8.59	-31.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020265636	0	48	-1.0	-43.28	348.90	8.03	-35.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020265636	1	48	-1.0	-43.27	348.96	8.05	-35.22
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020265637	0	55	-1.0	-41.63	403.71	10.70	-30.93
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020265637	1	55	-1.0	-41.64	403.74	10.69	-30.95
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265638	0	41	-1.0	-41.98	335.37	8.05	-33.93
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265638	1	41	-1.0	-42.00	335.42	8.03	-33.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020265639	0	56	0.0	-68.45	408.99	6.85	-61.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020265639	1	56	0.0	-68.79	417.36	6.71	-62.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020265639	1	56	0.0	-68.48	409.05	6.86	-61.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020265639	1	56	0.0	-68.77	417.41	6.73	-62.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020265640	0	53	0.0	-66.30	373.39	6.57	-59.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020265640	1	53	0.0	-67.49	399.83	5.62	-61.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020265640	1	53	0.0	-66.35	373.45	6.58	-59.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020265640	1	53	0.0	-67.47	399.89	5.64	-61.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020265641	0	47	-1.0	-44.53	374.60	6.84	-37.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020265641	1	47	-1.0	-44.49	374.66	6.85	-37.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020265642	0	44	-1.0	-45.09	354.67	6.98	-38.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020265642	1	44	-1.0	-45.09	354.62	6.96	-38.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020265643	0	52	-1.0	-42.61	407.68	11.48	-31.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020265643	1	52	-1.0	-42.57	407.74	11.50	-31.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020265644	0	48	-1.0	-39.13	358.29	7.58	-31.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020265644	1	48	-1.0	-39.14	358.34	7.60	-31.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020265645	0	45	-1.0	-41.63	327.41	6.97	-34.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020265645	1	45	-1.0	-41.58	327.47	7.00	-34.58
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020265646	0	52	-1.0	-40.88	388.44	10.83	-30.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020265646	1	52	-1.0	-40.85	388.48	10.82	-30.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020265647	0	46	-1.0	-42.14	390.55	5.39	-36.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020265647	1	46	-1.0	-42.20	390.61	5.40	-36.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020265648	0	43	-1.0	-43.75	369.04	4.60	-39.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020265648	1	43	-1.0	-43.75	369.10	4.63	-39.12
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265649	0	55	-1.0	-41.60	415.38	9.96	-31.64
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265649	1	55	-1.0	-41.62	415.43	9.98	-31.64
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265650	0	52	-1.0	-45.25	392.53	9.20	-36.05
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265650	1	52	-1.0	-45.25	392.59	9.22	-36.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020265651	0	52	-1.0	-42.16	401.44	10.16	-32.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020265651	1	52	-1.0	-42.19	401.50	10.18	-32.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020265652	0	49	-1.0	-43.50	388.96	8.80	-34.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020265652	1	49	-1.0	-43.47	389.02	8.82	-34.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020265653	0	49	-1.0	-41.66	381.33	9.46	-32.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020265653	1	49	-1.0	-41.64	381.39	9.47	-32.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020265654	0	46	-1.0	-45.31	357.06	8.53	-36.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020265654	1	46	-1.0	-45.29	357.01	8.50	-36.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020265655	0	47	-1.0	-44.83	397.10	9.31	-35.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020265655	1	47	-1.0	-44.83	397.16	9.33	-35.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020265656	0	44	-1.0	-46.52	373.21	8.76	-37.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020265656	1	44	-1.0	-46.53	373.26	8.79	-37.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020265657	0	52	-1.0	-42.88	408.75	10.78	-32.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020265657	1	52	-1.0	-42.88	408.80	10.80	-32.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020265658	0	49	-1.0	-46.42	385.69	10.26	-36.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020265658	1	49	-1.0	-46.42	385.63	10.24	-36.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020265659	0	55	-1.0	-39.84	392.87	9.28	-30.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020265659	1	55	-1.0	-39.81	392.93	9.29	-30.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020265660	0	52	-1.0	-43.22	370.94	8.67	-34.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020265660	1	52	-1.0	-43.23	371.00	8.69	-34.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)C1=CC=C(Cl)C=C1	REAL300020265661	0	51	-1.0	-41.01	401.20	10.27	-30.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)C1=CC=C(Cl)C=C1	REAL300020265661	1	51	-1.0	-41.00	401.27	10.29	-30.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)C1=CC=C(Cl)C=C1	REAL300020265662	0	48	-1.0	-44.06	387.41	9.38	-34.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)C1=CC=C(Cl)C=C1	REAL300020265662	1	48	-1.0	-44.08	387.47	9.41	-34.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020265663	0	43	-1.0	-40.75	340.38	6.75	-34.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020265663	1	43	-1.0	-40.70	340.44	6.77	-33.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020265664	0	40	-1.0	-43.61	329.61	7.47	-36.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020265664	1	40	-1.0	-43.59	329.53	7.44	-36.15
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020265665	0	47	-1.0	-42.25	376.97	9.18	-33.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020265665	1	47	-1.0	-42.20	376.98	9.17	-33.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020265666	0	45	-1.0	-41.46	364.04	3.75	-37.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020265666	1	45	-1.0	-41.48	364.10	3.77	-37.71
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCCCO	REAL300020265667	0	49	-1.0	-43.27	396.49	5.85	-37.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCCCO	REAL300020265667	1	49	-1.0	-43.22	396.53	5.84	-37.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020265668	0	49	-1.0	-41.31	405.02	6.61	-34.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020265668	1	49	-1.0	-41.29	405.07	6.63	-34.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020265669	0	46	-1.0	-42.72	387.32	5.52	-37.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020265669	1	46	-1.0	-42.72	387.38	5.55	-37.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020265670	0	47	-1.0	-43.22	378.26	8.73	-34.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020265670	1	47	-1.0	-43.19	378.32	8.74	-34.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020265671	0	44	-1.0	-45.95	356.89	7.96	-37.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020265671	1	44	-1.0	-45.94	356.83	7.93	-38.01
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020265672	0	51	-1.0	-45.54	403.06	10.52	-35.02
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020265672	1	51	-1.0	-45.50	403.08	10.51	-34.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC(C)=NS2)CC1	REAL300020265673	0	49	-1.0	-44.18	397.07	6.66	-37.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC(C)=NS2)CC1	REAL300020265673	1	49	-1.0	-44.17	397.12	6.68	-37.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC(C)=NS2)CC1	REAL300020265674	0	46	-1.0	-45.86	378.90	5.78	-40.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC(C)=NS2)CC1	REAL300020265674	1	46	-1.0	-45.89	378.96	5.80	-40.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2N2CCOC2=O)C1	REAL300020265675	0	49	-1.0	-48.91	394.76	7.68	-41.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2N2CCOC2=O)C1	REAL300020265675	1	49	-1.0	-48.88	394.82	7.70	-41.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020265676	0	45	-1.0	-40.36	355.75	6.52	-33.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020265676	1	45	-1.0	-40.37	355.81	6.54	-33.83
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CCC1C	REAL300020265677	0	49	-1.0	-42.01	379.49	8.28	-33.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CCC1C	REAL300020265677	1	49	-1.0	-41.99	379.55	8.27	-33.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)NC(=O)NC2=O)CC1	REAL300020265678	0	51	-1.0	-46.18	401.27	2.73	-43.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)NC(=O)NC2=O)CC1	REAL300020265678	1	51	-1.0	-46.16	401.33	2.75	-43.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)NC(=O)NC2=O)CC1	REAL300020265679	0	48	-1.0	-48.09	384.85	1.76	-46.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)NC(=O)NC2=O)CC1	REAL300020265679	1	48	-1.0	-48.13	384.90	1.78	-46.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020265680	0	46	-1.0	-41.87	360.34	7.64	-34.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020265680	1	46	-1.0	-41.88	360.39	7.65	-34.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020265681	0	43	-1.0	-42.73	346.65	7.61	-35.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020265681	1	43	-1.0	-42.75	346.59	7.58	-35.17
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020265682	0	50	-1.0	-43.72	388.07	9.61	-34.11
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020265682	1	50	-1.0	-43.71	388.10	9.61	-34.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020265683	0	55	-1.0	-43.76	424.85	10.69	-33.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020265683	1	55	-1.0	-43.80	424.91	10.71	-33.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020265684	0	52	-1.0	-48.27	402.75	10.17	-38.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020265684	1	52	-1.0	-48.31	402.81	10.19	-38.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020265685	0	58	-1.0	-42.01	421.25	9.90	-32.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020265685	1	58	-1.0	-42.03	421.31	9.91	-32.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020265686	0	55	-1.0	-43.92	407.48	9.45	-34.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020265686	1	55	-1.0	-43.89	407.54	9.47	-34.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020265687	0	49	-1.0	-46.18	397.86	7.92	-38.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020265687	1	49	-1.0	-46.19	397.92	7.94	-38.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020265688	0	46	-1.0	-49.34	376.84	7.16	-42.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020265688	1	46	-1.0	-49.31	376.89	7.19	-42.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020265689	0	52	-1.0	-47.83	410.82	4.94	-42.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020265689	1	52	-1.0	-47.87	410.88	4.95	-42.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020265690	0	49	-1.0	-49.16	389.30	4.15	-45.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020265690	1	49	-1.0	-49.10	389.35	4.17	-44.93
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265691	0	43	-1.0	-39.65	358.41	7.64	-32.01
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265691	1	43	-1.0	-39.68	358.47	7.66	-32.02
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265692	0	47	-1.0	-43.06	378.44	9.18	-33.88
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265692	1	47	-1.0	-43.08	378.47	9.17	-33.91
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265693	0	46	-1.0	-42.37	387.73	7.89	-34.48
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265693	1	46	-1.0	-42.38	387.79	7.91	-34.47
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265694	0	43	-1.0	-44.98	362.71	7.43	-37.55
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265694	1	43	-1.0	-44.97	362.65	7.41	-37.56
C=CCN(CCC1=CC=CO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265695	0	50	-1.0	-44.43	415.79	9.98	-34.45
C=CCN(CCC1=CC=CO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265695	1	50	-1.0	-44.38	415.84	9.97	-34.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020265696	0	51	-1.0	-43.46	413.26	7.13	-36.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020265696	1	51	-1.0	-43.49	413.32	7.15	-36.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020265697	0	48	-1.0	-46.02	390.43	6.77	-39.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020265697	1	48	-1.0	-45.98	390.49	6.80	-39.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020265698	0	45	-1.0	-48.35	366.41	7.89	-40.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020265698	1	45	-1.0	-48.36	366.47	7.90	-40.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020265699	0	42	-1.0	-48.10	345.72	7.15	-40.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020265699	1	42	-1.0	-48.10	345.66	7.12	-40.98
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020265700	0	49	-1.0	-54.32	386.46	9.19	-45.13
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020265700	1	49	-1.0	-54.33	386.50	9.18	-45.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020265701	0	50	-1.0	-44.65	398.35	6.93	-37.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020265701	1	50	-1.0	-44.61	398.29	6.92	-37.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020265702	0	47	-1.0	-44.69	374.64	7.00	-37.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020265702	1	47	-1.0	-44.68	374.58	6.98	-37.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1	REAL300020265703	0	58	0.0	-65.74	438.60	10.28	-55.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265703	1	58	0.0	-70.23	416.66	9.92	-60.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1	REAL300020265703	1	58	0.0	-65.77	438.65	10.29	-55.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265703	1	58	0.0	-70.22	416.72	9.93	-60.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1	REAL300020265704	0	55	0.0	-63.84	412.87	9.89	-53.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265704	1	55	0.0	-63.17	411.31	10.02	-53.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1	REAL300020265704	1	55	0.0	-63.86	412.92	9.91	-53.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1	REAL300020265704	1	55	0.0	-63.16	411.37	10.04	-53.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020265705	0	49	-1.0	-42.69	406.08	9.73	-32.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020265705	1	49	-1.0	-42.67	406.14	9.75	-32.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020265706	0	46	-1.0	-44.46	384.58	8.95	-35.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020265706	1	46	-1.0	-44.45	384.64	8.97	-35.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020265707	0	43	-1.0	-39.75	349.87	7.39	-32.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020265707	1	43	-1.0	-39.73	349.93	7.40	-32.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020265708	0	40	-1.0	-42.28	328.32	6.61	-35.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020265708	1	40	-1.0	-42.24	328.38	6.64	-35.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CN(C)S(C)(=O)=O)C1	REAL300020265709	0	53	-1.0	-48.12	429.04	4.63	-43.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CN(C)S(C)(=O)=O)C1	REAL300020265709	1	53	-1.0	-48.12	429.09	4.64	-43.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CN(C)S(C)(=O)=O)C1	REAL300020265710	0	50	-1.0	-50.24	407.63	3.81	-46.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CN(C)S(C)(=O)=O)C1	REAL300020265710	1	50	-1.0	-50.24	407.69	3.83	-46.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020265711	0	47	-1.0	-47.13	391.31	8.88	-38.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020265711	1	47	-1.0	-47.14	391.36	8.90	-38.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020265712	0	44	-1.0	-50.69	369.13	8.19	-42.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020265712	1	44	-1.0	-50.74	369.20	8.21	-42.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020265713	0	40	-1.0	-45.49	323.35	9.96	-35.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020265713	1	40	-1.0	-45.47	323.40	9.97	-35.50
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020265714	0	44	-1.0	-47.38	351.84	11.93	-35.45
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020265714	1	44	-1.0	-47.36	351.87	11.92	-35.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020265715	0	42	-1.0	-42.54	346.59	8.84	-33.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020265715	1	42	-1.0	-42.52	346.65	8.86	-33.66
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020265716	0	46	-1.0	-43.96	377.79	10.87	-33.09
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020265716	1	46	-1.0	-43.95	377.82	10.86	-33.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020265717	0	42	-1.0	-42.17	342.65	8.72	-33.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020265717	1	42	-1.0	-42.13	342.71	8.73	-33.40
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020265718	0	46	-1.0	-43.94	375.09	10.79	-33.15
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020265718	1	46	-1.0	-43.98	375.11	10.79	-33.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020265719	0	45	-1.0	-42.35	364.14	9.37	-32.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020265719	1	45	-1.0	-42.35	364.19	9.38	-32.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020265720	0	42	-1.0	-47.63	349.93	8.86	-38.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020265720	1	42	-1.0	-47.62	349.88	8.84	-38.78
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020265721	0	49	-1.0	-46.20	382.04	12.58	-33.62
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020265721	1	49	-1.0	-46.22	382.07	12.56	-33.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020265722	0	45	-1.0	-41.48	348.93	10.38	-31.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020265722	1	45	-1.0	-41.49	348.98	10.39	-31.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020265723	0	42	-1.0	-44.07	326.82	9.89	-34.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020265723	1	42	-1.0	-44.01	326.77	9.86	-34.15
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020265724	0	49	-1.0	-43.12	381.93	12.48	-30.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020265724	1	49	-1.0	-43.12	381.96	12.47	-30.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020265725	0	48	-1.0	-41.68	388.85	10.16	-31.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020265725	1	48	-1.0	-41.73	388.91	10.18	-31.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020265726	0	45	-1.0	-46.82	363.93	9.31	-37.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020265726	1	45	-1.0	-46.85	363.88	9.29	-37.56
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020265727	0	52	-1.0	-43.41	413.89	12.05	-31.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020265727	1	52	-1.0	-43.37	413.91	12.04	-31.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020265728	0	52	-1.0	-45.24	395.09	12.15	-33.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020265728	1	52	-1.0	-45.27	395.15	12.16	-33.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020265729	0	49	-1.0	-48.40	373.03	11.63	-36.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020265729	1	49	-1.0	-48.40	372.97	11.61	-36.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020265730	0	46	-1.0	-46.14	357.25	11.03	-35.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020265730	1	46	-1.0	-46.08	357.31	11.04	-35.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020265731	0	43	-1.0	-49.24	335.19	10.51	-38.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020265731	1	43	-1.0	-49.21	335.14	10.49	-38.72
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020265732	0	50	-1.0	-47.67	389.61	13.12	-34.55
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020265732	1	50	-1.0	-47.65	389.63	13.11	-34.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020265733	0	50	-1.0	-44.03	385.00	12.19	-31.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020265733	1	50	-1.0	-44.02	385.05	12.20	-31.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020265734	0	47	-1.0	-47.61	358.98	11.44	-36.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020265734	1	47	-1.0	-47.59	358.93	11.42	-36.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020265735	0	52	-1.0	-44.49	396.12	12.05	-32.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020265735	1	52	-1.0	-44.50	396.18	12.06	-32.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020265736	0	49	-1.0	-47.85	373.81	11.24	-36.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020265736	1	49	-1.0	-47.81	373.76	11.22	-36.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020265737	0	43	-1.0	-45.52	344.77	10.62	-34.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020265737	1	43	-1.0	-45.51	344.82	10.64	-34.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020265738	0	40	-1.0	-49.05	319.03	9.89	-39.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020265738	1	40	-1.0	-49.05	318.97	9.88	-39.17
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020265739	0	47	-1.0	-47.33	373.25	12.60	-34.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020265739	1	47	-1.0	-47.28	373.29	12.59	-34.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020265740	0	50	-1.0	-44.84	398.07	13.30	-31.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020265740	1	50	-1.0	-44.86	398.13	13.32	-31.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020265741	0	47	-1.0	-49.23	376.34	12.70	-36.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020265741	1	47	-1.0	-49.28	376.28	12.69	-36.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020265742	0	49	-1.0	-44.47	372.66	11.39	-33.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020265742	1	49	-1.0	-44.48	372.72	11.40	-33.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020265743	0	46	-1.0	-46.93	354.92	10.73	-36.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020265743	1	46	-1.0	-47.00	354.87	10.70	-36.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020265744	0	48	-1.0	-42.36	385.36	10.09	-32.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020265744	1	48	-1.0	-42.35	385.42	10.10	-32.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020265745	0	45	-1.0	-47.68	367.35	9.46	-38.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020265745	1	45	-1.0	-47.67	367.29	9.43	-38.24
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020265746	0	52	-1.0	-43.77	413.87	12.06	-31.71
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020265746	1	52	-1.0	-43.78	413.90	12.05	-31.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C3=CC=CC(F)=C3)=CC=C21	REAL300020265747	0	47	-1.0	-51.68	378.20	12.72	-38.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C3=CC=CC(F)=C3)=CC=C21	REAL300020265747	1	47	-1.0	-51.65	378.14	12.70	-38.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020265748	0	50	-1.0	-44.80	396.18	13.31	-31.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020265748	1	50	-1.0	-44.81	396.24	13.32	-31.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020265749	0	47	-1.0	-47.81	374.14	12.79	-35.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020265749	1	47	-1.0	-47.88	374.08	12.77	-35.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020265750	0	44	-1.0	-45.06	351.40	11.14	-33.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020265750	1	44	-1.0	-45.03	351.46	11.15	-33.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020265751	0	41	-1.0	-48.53	329.58	10.54	-37.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020265751	1	41	-1.0	-48.55	329.52	10.53	-38.02
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020265752	0	48	-1.0	-46.77	383.77	13.26	-33.51
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020265752	1	48	-1.0	-46.71	383.81	13.25	-33.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020265753	0	47	-1.0	-45.04	380.26	6.65	-38.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020265753	1	47	-1.0	-45.04	380.32	6.66	-38.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020265754	0	44	-1.0	-50.93	366.07	6.13	-44.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020265754	1	44	-1.0	-50.94	366.02	6.11	-44.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020265755	0	47	-1.0	-44.63	366.27	11.57	-33.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020265755	1	47	-1.0	-44.63	366.33	11.58	-33.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020265756	0	44	-1.0	-48.17	344.48	10.98	-37.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020265756	1	44	-1.0	-48.16	344.41	10.96	-37.20
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020265757	0	51	-1.0	-46.32	398.61	13.68	-32.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020265757	1	51	-1.0	-46.31	398.63	13.67	-32.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020265758	0	52	-1.0	-44.21	390.86	11.78	-32.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020265758	1	52	-1.0	-44.17	390.92	11.80	-32.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020265759	0	49	-1.0	-48.20	365.77	11.10	-37.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020265759	1	49	-1.0	-48.15	365.72	11.07	-37.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020265760	0	49	-1.0	-43.90	396.98	9.08	-34.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020265760	1	49	-1.0	-43.88	397.03	9.09	-34.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020265761	0	46	-1.0	-49.19	376.39	8.38	-40.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020265761	1	46	-1.0	-49.20	376.34	8.35	-40.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020265762	0	49	-1.0	-42.54	383.07	5.04	-37.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020265762	1	49	-1.0	-42.56	383.13	5.06	-37.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020265763	0	46	-1.0	-45.03	361.58	4.26	-40.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020265763	1	46	-1.0	-45.01	361.63	4.28	-40.73
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCCO)CC1	REAL300020265764	0	53	-1.0	-44.24	412.07	6.91	-37.33
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCCO)CC1	REAL300020265764	1	53	-1.0	-44.33	412.11	6.89	-37.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020265765	0	43	-1.0	-42.39	362.94	8.00	-34.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020265765	1	43	-1.0	-42.40	363.00	8.01	-34.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020265766	0	40	-1.0	-44.50	337.55	7.28	-37.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020265766	1	40	-1.0	-44.47	337.49	7.26	-37.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020265767	0	43	-1.0	-43.17	352.63	7.55	-35.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020265767	1	43	-1.0	-43.17	352.69	7.57	-35.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020265768	0	40	-1.0	-45.08	327.22	6.83	-38.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020265768	1	40	-1.0	-45.11	327.16	6.82	-38.29
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020265769	0	47	-1.0	-45.09	378.34	9.65	-35.44
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020265769	1	47	-1.0	-45.11	378.38	9.63	-35.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020265770	0	50	-1.0	-49.89	403.69	7.47	-42.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020265770	1	50	-1.0	-49.85	403.74	7.49	-42.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020265771	0	47	-1.0	-43.68	391.82	7.52	-36.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020265771	1	47	-1.0	-43.67	391.88	7.54	-36.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020265772	0	49	-1.0	-42.00	363.70	7.68	-34.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020265772	1	49	-1.0	-42.02	363.76	7.69	-34.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020265773	0	46	-1.0	-44.67	346.12	7.06	-37.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020265773	1	46	-1.0	-44.69	346.07	7.04	-37.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020265774	0	42	-1.0	-41.87	348.24	5.73	-36.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020265774	1	42	-1.0	-41.87	348.30	5.74	-36.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020265775	0	39	-1.0	-43.02	324.54	5.21	-37.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020265775	1	39	-1.0	-43.01	324.49	5.19	-37.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020265776	0	46	-1.0	-44.56	370.99	7.91	-36.65
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020265776	1	46	-1.0	-44.58	371.08	7.89	-36.69
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1	REAL300020265777	0	43	-1.0	-42.81	343.40	8.17	-34.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC1	REAL300020265777	1	43	-1.0	-42.78	343.51	8.17	-34.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020265778	0	45	-1.0	-48.58	363.47	3.03	-45.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020265778	1	45	-1.0	-48.56	363.53	3.05	-45.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020265779	0	42	-1.0	-50.56	341.97	2.25	-48.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020265779	1	42	-1.0	-50.59	342.02	2.27	-48.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020265780	0	50	-1.0	-40.29	393.08	9.90	-30.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020265780	1	50	-1.0	-40.29	393.14	9.91	-30.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020265781	0	47	-1.0	-44.07	368.09	9.15	-34.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020265781	1	47	-1.0	-44.01	368.04	9.12	-34.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020265782	0	49	-1.0	-42.00	367.25	7.99	-34.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020265782	1	49	-1.0	-42.04	367.30	8.00	-34.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020265783	0	46	-1.0	-44.46	348.30	7.34	-37.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020265783	1	46	-1.0	-44.44	348.37	7.37	-37.07
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C2CCCCC21	REAL300020265784	0	53	-1.0	-44.13	390.78	9.60	-34.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C2CCCCC21	REAL300020265784	1	53	-1.0	-44.09	390.82	9.58	-34.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(Cl)C=C1)CC1CC1	REAL300020265785	0	49	-1.0	-43.94	417.09	10.57	-33.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(Cl)C=C1)CC1CC1	REAL300020265785	1	49	-1.0	-43.95	417.14	10.59	-33.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020265786	0	49	-1.0	-41.26	387.73	8.62	-32.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020265786	1	49	-1.0	-41.27	387.79	8.64	-32.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020265787	0	46	-1.0	-43.78	367.53	8.93	-34.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020265787	1	46	-1.0	-43.79	367.46	8.90	-34.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020265788	0	49	-1.0	-42.82	391.76	8.84	-33.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020265788	1	49	-1.0	-42.80	391.82	8.85	-33.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020265789	0	46	-1.0	-46.98	374.21	8.16	-38.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020265789	1	46	-1.0	-46.92	374.16	8.13	-38.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020265790	0	51	-1.0	-41.29	375.91	7.38	-33.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020265790	1	51	-1.0	-41.29	375.96	7.38	-33.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020265791	0	48	-1.0	-41.68	349.32	8.44	-33.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020265791	1	48	-1.0	-41.68	349.38	8.47	-33.21
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020265792	0	55	-1.0	-43.64	408.80	10.54	-33.10
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020265792	1	55	-1.0	-43.59	408.83	10.53	-33.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C)CC1	REAL300020265793	0	44	-1.0	-41.99	350.31	8.74	-33.25
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C)CC1	REAL300020265793	1	44	-1.0	-42.01	350.42	8.73	-33.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020265794	0	43	-1.0	-39.36	347.61	6.18	-33.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020265794	1	43	-1.0	-39.36	347.67	6.19	-33.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020265795	0	40	-1.0	-40.79	318.83	6.24	-34.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020265795	1	40	-1.0	-40.78	318.77	6.22	-34.56
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)C1C	REAL300020265796	0	47	-1.0	-41.48	375.90	8.15	-33.33
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)C1C	REAL300020265796	1	47	-1.0	-41.47	375.94	8.14	-33.33
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265797	0	46	-1.0	-42.47	363.41	8.50	-33.97
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265797	1	46	-1.0	-42.43	363.45	8.49	-33.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020265798	0	51	-1.0	-40.49	382.58	7.36	-33.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020265798	1	51	-1.0	-40.53	382.64	7.38	-33.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020265799	0	48	-1.0	-42.59	363.35	6.71	-35.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020265799	1	48	-1.0	-42.61	363.40	6.73	-35.88
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020265800	0	55	-1.0	-42.30	411.68	9.41	-32.89
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020265800	1	55	-1.0	-42.24	411.71	9.39	-32.85
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265801	0	43	-1.0	-42.25	370.46	9.34	-32.91
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265801	1	43	-1.0	-42.21	370.51	9.32	-32.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(C)C1	REAL300020265802	0	43	-1.0	-40.60	336.96	6.70	-33.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(C)C1	REAL300020265802	1	43	-1.0	-40.63	337.02	6.71	-33.92
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)=C(C)C1	REAL300020265803	0	47	-1.0	-42.55	363.24	9.26	-33.29
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)=C(C)C1	REAL300020265803	1	47	-1.0	-42.51	363.27	9.26	-33.25
CCN(CC1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265804	0	45	-1.0	-39.92	355.65	6.94	-32.98
CCN(CC1CCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265804	1	45	-1.0	-39.95	355.71	6.95	-33.00
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265805	0	49	-1.0	-42.55	379.40	9.04	-33.51
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265805	1	49	-1.0	-42.49	379.43	9.03	-33.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020265806	0	44	-1.0	-40.69	341.69	7.46	-33.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020265806	1	44	-1.0	-40.68	341.75	7.47	-33.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020265807	0	41	-1.0	-44.99	303.50	5.11	-39.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020265807	1	41	-1.0	-45.04	303.56	5.13	-39.91
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020265808	0	48	-1.0	-42.56	366.20	9.29	-33.27
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020265808	1	48	-1.0	-42.57	366.22	9.28	-33.29
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCSC	REAL300020265809	0	43	-1.0	-42.99	365.31	8.08	-34.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCSC	REAL300020265809	1	43	-1.0	-43.03	365.35	8.07	-34.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020265810	0	54	-1.0	-40.56	410.76	8.10	-32.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020265810	1	54	-1.0	-40.59	410.82	8.12	-32.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020265811	0	51	-1.0	-41.91	392.92	7.43	-34.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020265811	1	51	-1.0	-41.97	392.98	7.45	-34.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020265812	0	47	-1.0	-41.08	395.63	6.21	-34.87
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020265812	1	47	-1.0	-41.07	395.57	6.20	-34.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020265813	0	44	-1.0	-42.59	368.50	5.56	-37.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020265813	1	44	-1.0	-42.61	368.39	5.56	-37.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020265814	0	53	-1.0	-44.83	416.38	9.37	-35.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020265814	1	53	-1.0	-44.84	416.44	9.39	-35.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020265815	0	50	-1.0	-47.60	395.09	8.35	-39.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020265815	1	50	-1.0	-47.63	395.04	8.32	-39.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020265816	0	49	-1.0	-42.92	399.04	10.35	-32.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020265816	1	49	-1.0	-42.94	399.10	10.37	-32.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020265817	0	46	-1.0	-45.26	375.82	9.61	-35.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020265817	1	46	-1.0	-45.26	375.76	9.59	-35.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020265818	0	48	-1.0	-40.75	397.58	9.92	-30.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020265818	1	48	-1.0	-40.72	397.64	9.93	-30.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020265819	0	45	-1.0	-42.42	379.83	9.25	-33.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020265819	1	45	-1.0	-42.42	379.89	9.27	-33.15
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020265820	0	48	-1.0	-39.58	363.30	7.90	-31.68
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020265820	1	48	-1.0	-39.53	363.36	7.91	-31.62
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020265821	0	45	-1.0	-42.21	341.57	7.32	-34.89
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020265821	1	45	-1.0	-42.26	341.63	7.34	-34.92
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020265822	0	52	-1.0	-41.54	394.45	10.21	-31.33
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020265822	1	52	-1.0	-41.50	394.49	10.21	-31.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265823	0	56	0.0	-70.75	426.96	10.25	-60.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265823	1	56	0.0	-68.38	423.30	10.12	-58.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265823	1	56	0.0	-70.76	427.01	10.27	-60.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265823	1	56	0.0	-68.44	423.36	10.14	-58.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265824	0	53	0.0	-65.39	402.46	9.57	-55.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265824	1	53	0.0	-71.79	404.11	9.72	-62.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265824	1	53	0.0	-65.42	402.52	9.60	-55.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020265824	1	53	0.0	-71.78	404.17	9.75	-62.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(SC)C1	REAL300020265825	0	46	-1.0	-41.13	362.70	7.37	-33.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(SC)C1	REAL300020265825	1	46	-1.0	-41.13	362.75	7.38	-33.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(SC)C1	REAL300020265826	0	43	-1.0	-44.99	349.26	7.12	-37.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(SC)C1	REAL300020265826	1	43	-1.0	-44.99	349.32	7.14	-37.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(SC)C1	REAL300020265827	0	50	-1.0	-44.82	385.28	10.07	-34.75
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(SC)C1	REAL300020265827	1	50	-1.0	-44.78	385.31	10.06	-34.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020265828	0	53	-1.0	-42.71	379.47	6.13	-36.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020265828	1	53	-1.0	-42.73	379.52	6.15	-36.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020265829	0	50	-1.0	-43.23	384.07	8.03	-35.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020265829	1	50	-1.0	-43.23	384.12	8.06	-35.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1Br	REAL300020265830	0	42	-1.0	-45.05	361.15	7.62	-37.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1Br	REAL300020265830	1	42	-1.0	-45.05	361.22	7.64	-37.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020265831	0	48	-1.0	-39.31	363.47	7.45	-31.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020265831	1	48	-1.0	-39.34	363.53	7.47	-31.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020265832	0	45	-1.0	-42.28	337.15	7.93	-34.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020265832	1	45	-1.0	-42.29	337.09	7.91	-34.38
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020265833	0	52	-1.0	-41.93	382.77	10.71	-31.22
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020265833	1	52	-1.0	-41.92	382.81	10.70	-31.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020265834	0	47	-1.0	-42.99	360.91	6.23	-36.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020265834	1	47	-1.0	-42.98	360.97	6.24	-36.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020265835	0	44	-1.0	-44.84	339.52	4.87	-39.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020265835	1	44	-1.0	-44.86	339.57	4.89	-39.97
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCCO1	REAL300020265836	0	51	-1.0	-41.80	390.61	7.38	-34.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCCO1	REAL300020265836	1	51	-1.0	-41.84	390.66	7.37	-34.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020265837	0	50	-1.0	-43.12	403.25	9.67	-33.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020265837	1	50	-1.0	-43.09	403.31	9.69	-33.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020265838	0	47	-1.0	-46.30	377.74	8.91	-37.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020265838	1	47	-1.0	-46.30	377.80	8.94	-37.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCCC21	REAL300020265839	0	56	-1.0	-41.02	428.24	10.97	-30.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCCC21	REAL300020265839	1	56	-1.0	-41.07	428.30	10.98	-30.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCCC21	REAL300020265840	0	53	-1.0	-47.02	401.09	9.94	-37.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCCC21	REAL300020265840	1	53	-1.0	-46.99	401.15	9.97	-37.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020265841	0	49	-1.0	-40.52	376.02	7.81	-32.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020265841	1	49	-1.0	-40.54	376.07	7.83	-32.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020265842	0	46	-1.0	-42.65	354.93	7.66	-34.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020265842	1	46	-1.0	-42.72	354.88	7.63	-35.09
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020265843	0	53	-1.0	-42.65	394.41	9.71	-32.94
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020265843	1	53	-1.0	-42.57	394.44	9.71	-32.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020265844	0	48	-1.0	-44.11	401.16	9.20	-34.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020265844	1	48	-1.0	-44.09	401.22	9.22	-34.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020265845	0	45	-1.0	-45.45	382.31	9.42	-36.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020265845	1	45	-1.0	-45.46	382.36	9.44	-36.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020265846	0	50	-1.0	-40.47	372.83	6.17	-34.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020265846	1	50	-1.0	-40.46	372.89	6.19	-34.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020265847	0	47	-1.0	-42.69	355.01	5.50	-37.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020265847	1	47	-1.0	-42.71	355.07	5.53	-37.18
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020265848	0	54	-1.0	-42.17	404.81	8.30	-33.87
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020265848	1	54	-1.0	-42.13	404.85	8.29	-33.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020265849	0	47	-1.0	-45.45	366.12	3.75	-41.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020265849	1	47	-1.0	-45.47	366.17	3.76	-41.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020265850	0	44	-1.0	-43.81	345.03	3.38	-40.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020265850	1	44	-1.0	-43.81	344.97	3.37	-40.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020265851	0	51	-1.0	-45.28	384.83	4.98	-40.30
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020265851	1	51	-1.0	-45.25	384.88	4.97	-40.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020265852	0	49	0.0	-61.74	372.31	8.04	-53.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020265852	1	49	0.0	-62.02	362.28	7.72	-54.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020265852	1	49	0.0	-61.72	372.36	8.06	-53.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020265852	1	49	0.0	-62.01	362.34	7.73	-54.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020265853	0	46	0.0	-61.69	352.04	7.53	-54.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020265853	1	46	0.0	-60.89	340.66	6.54	-54.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020265853	1	46	0.0	-61.69	352.10	7.55	-54.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020265853	1	46	0.0	-60.92	340.72	6.57	-54.35
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020265854	0	53	0.0	-68.47	399.78	10.52	-57.95
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020265854	1	53	0.0	-67.41	402.69	10.04	-57.37
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020265854	1	53	0.0	-68.45	399.82	10.52	-57.93
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020265854	1	53	0.0	-67.43	402.72	10.03	-57.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020265855	0	55	0.0	-64.52	404.70	9.64	-54.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020265855	1	55	0.0	-62.71	392.88	8.87	-53.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020265855	1	55	0.0	-64.56	404.64	9.63	-54.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020265855	1	55	0.0	-62.74	392.82	8.86	-53.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020265856	0	52	0.0	-64.02	373.54	8.12	-55.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020265856	1	52	0.0	-65.42	381.77	8.43	-56.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020265856	1	52	0.0	-64.00	373.60	8.14	-55.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020265856	1	52	0.0	-65.47	381.82	8.44	-57.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)OCC(C)C)CC1	REAL300020265857	0	56	-1.0	-45.31	440.17	8.58	-36.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)OCC(C)C)CC1	REAL300020265857	1	56	-1.0	-45.31	440.22	8.60	-36.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)OCC(C)C)CC1	REAL300020265858	0	53	-1.0	-43.45	420.96	7.55	-35.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)OCC(C)C)CC1	REAL300020265858	1	53	-1.0	-43.53	421.02	7.57	-35.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCN(C2=CC=C(F)C=C2)CC1	REAL300020265859	0	54	-1.0	-40.82	420.83	8.29	-32.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCN(C2=CC=C(F)C=C2)CC1	REAL300020265859	1	54	-1.0	-40.81	420.89	8.31	-32.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(C2=CC=C(F)C=C2)CC1	REAL300020265860	0	51	-1.0	-43.17	399.42	7.50	-35.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(C2=CC=C(F)C=C2)CC1	REAL300020265860	1	51	-1.0	-43.14	399.48	7.52	-35.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(C2=CC=C(OC)C=C2)CC1	REAL300020265861	0	55	-1.0	-44.72	422.51	6.72	-38.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(C2=CC=C(OC)C=C2)CC1	REAL300020265861	1	55	-1.0	-44.69	422.57	6.75	-37.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020265862	0	46	-1.0	-40.43	349.84	6.63	-33.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020265862	1	46	-1.0	-40.40	349.89	6.65	-33.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020265863	0	43	-1.0	-42.90	328.45	5.85	-37.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020265863	1	43	-1.0	-42.92	328.39	5.82	-37.10
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020265864	0	50	-1.0	-43.28	378.10	9.07	-34.21
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020265864	1	50	-1.0	-43.29	378.13	9.06	-34.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020265865	0	53	-1.0	-49.66	414.25	8.01	-41.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020265865	1	53	-1.0	-49.71	414.30	8.04	-41.67
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265866	0	45	-1.0	-43.89	361.31	7.54	-36.35
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265866	1	45	-1.0	-43.89	361.37	7.55	-36.34
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265867	0	42	-1.0	-47.59	347.34	6.96	-40.63
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265867	1	42	-1.0	-47.58	347.28	6.93	-40.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300020265868	0	43	-1.0	-40.30	377.25	9.27	-31.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300020265868	1	43	-1.0	-40.29	377.31	9.29	-31.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300020265869	0	40	-1.0	-43.14	355.75	8.49	-34.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300020265869	1	40	-1.0	-43.15	355.81	8.51	-34.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020265870	0	50	-1.0	-41.50	401.68	10.56	-30.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020265870	1	50	-1.0	-41.49	401.74	10.57	-30.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020265871	0	47	-1.0	-45.82	381.02	10.01	-35.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020265871	1	47	-1.0	-45.77	380.96	9.99	-35.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020265872	0	52	-1.0	-40.09	379.34	9.40	-30.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020265872	1	52	-1.0	-40.00	379.40	9.41	-30.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020265873	0	49	-1.0	-43.12	369.82	8.48	-34.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020265873	1	49	-1.0	-43.08	369.89	8.51	-34.57
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020265874	0	56	-1.0	-41.64	421.32	10.78	-30.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020265874	1	56	-1.0	-41.60	421.37	10.77	-30.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020265875	0	47	-1.0	-40.28	404.08	10.10	-30.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020265875	1	47	-1.0	-40.32	404.13	10.12	-30.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020265876	0	44	-1.0	-46.90	369.12	8.52	-38.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020265876	1	44	-1.0	-46.86	369.18	8.54	-38.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020265877	0	53	-1.0	-43.83	423.16	10.13	-33.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020265877	1	53	-1.0	-43.85	423.22	10.14	-33.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020265878	0	50	-1.0	-46.31	397.32	9.39	-36.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020265878	1	50	-1.0	-46.33	397.38	9.41	-36.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C3OCCOC3=C2)CC1	REAL300020265879	0	50	-1.0	-45.72	407.59	8.29	-37.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C3OCCOC3=C2)CC1	REAL300020265879	1	50	-1.0	-45.74	407.65	8.30	-37.44
CCC1=CC=C(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CC2)C=C1	REAL300020265880	0	53	-1.0	-39.60	431.98	11.14	-28.46
CCC1=CC=C(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020265880	1	53	-1.0	-39.61	432.04	11.15	-28.46
CCC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)C=C1	REAL300020265881	0	50	-1.0	-42.02	406.45	10.41	-31.61
CCC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020265881	1	50	-1.0	-42.03	406.51	10.43	-31.60
C=CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC)C1CC1	REAL300020265882	0	44	-1.0	-41.71	362.35	9.11	-32.60
C=CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC)C1CC1	REAL300020265882	1	44	-1.0	-41.70	362.41	9.10	-32.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=C(Cl)C=C2C1C	REAL300020265883	0	43	-1.0	-43.25	372.59	8.31	-34.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=C(Cl)C=C2C1C	REAL300020265883	1	43	-1.0	-43.25	372.63	8.32	-34.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020265884	0	52	-1.0	-41.08	409.29	10.20	-30.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020265884	1	52	-1.0	-41.06	409.35	10.21	-30.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020265885	0	49	-1.0	-44.52	375.38	9.36	-35.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020265885	1	49	-1.0	-44.53	375.43	9.38	-35.15
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020265886	0	48	-1.0	-40.69	396.86	7.66	-33.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020265886	1	48	-1.0	-40.65	396.92	7.67	-32.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020265887	0	45	-1.0	-42.51	379.09	6.99	-35.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020265887	1	45	-1.0	-42.56	379.14	7.02	-35.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020265888	0	47	-1.0	-38.50	395.19	5.31	-33.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020265888	1	47	-1.0	-38.56	395.25	5.33	-33.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020265889	0	44	-1.0	-42.02	363.97	3.85	-38.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020265889	1	44	-1.0	-42.00	364.03	3.87	-38.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020265890	0	48	-1.0	-40.69	396.86	7.66	-33.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020265890	1	48	-1.0	-40.65	396.92	7.67	-32.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020265891	0	45	-1.0	-42.51	379.09	6.99	-35.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020265891	1	45	-1.0	-42.56	379.14	7.02	-35.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C3CCCCN32)CC1	REAL300020265892	0	55	-1.0	-47.35	429.57	9.60	-37.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C3CCCCN32)CC1	REAL300020265892	1	55	-1.0	-47.30	429.63	9.61	-37.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C3CCCCN32)CC1	REAL300020265893	0	52	-1.0	-48.06	411.57	8.91	-39.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C3CCCCN32)CC1	REAL300020265893	1	52	-1.0	-48.11	411.63	8.94	-39.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020265894	0	47	-1.0	-42.17	406.19	9.52	-32.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020265894	1	47	-1.0	-42.18	406.25	9.53	-32.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020265895	0	44	-1.0	-43.34	381.02	8.65	-34.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020265895	1	44	-1.0	-43.32	380.96	8.62	-34.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020265896	0	50	-1.0	-46.60	403.06	7.15	-39.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020265896	1	50	-1.0	-46.62	403.11	7.16	-39.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020265897	0	47	-1.0	-47.00	386.31	6.51	-40.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020265897	1	47	-1.0	-46.99	386.37	6.54	-40.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(COC)C1	REAL300020265898	0	49	-1.0	-39.41	381.72	6.49	-32.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(COC)C1	REAL300020265898	1	49	-1.0	-39.41	381.78	6.50	-32.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(COC)C1	REAL300020265899	0	46	-1.0	-44.91	348.50	6.06	-38.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(COC)C1	REAL300020265899	1	46	-1.0	-44.92	348.56	6.08	-38.84
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(COC)C1	REAL300020265900	0	53	-1.0	-43.39	397.75	8.77	-34.62
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(COC)C1	REAL300020265900	1	53	-1.0	-43.42	397.79	8.77	-34.65
CCC1C(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265901	0	45	-1.0	-40.31	343.44	6.13	-34.18
CCC1C(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265901	1	45	-1.0	-40.28	343.50	6.14	-34.14
CCC1C(C)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265902	0	49	-1.0	-41.85	375.83	8.25	-33.60
CCC1C(C)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265902	1	49	-1.0	-41.83	375.89	8.24	-33.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(COC)CC1	REAL300020265903	0	44	-1.0	-42.28	353.89	5.48	-36.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(COC)CC1	REAL300020265903	1	44	-1.0	-42.31	353.95	5.49	-36.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(COC)CC1	REAL300020265904	0	41	-1.0	-43.40	332.59	5.32	-38.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(COC)CC1	REAL300020265904	1	41	-1.0	-43.39	332.53	5.29	-38.10
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(COC)CC1	REAL300020265905	0	48	-1.0	-43.13	375.72	7.73	-35.40
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(COC)CC1	REAL300020265905	1	48	-1.0	-43.17	375.76	7.72	-35.45
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1C	REAL300020265906	0	45	-1.0	-41.46	343.33	7.24	-34.22
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1C	REAL300020265906	1	45	-1.0	-41.45	343.38	7.25	-34.20
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1C	REAL300020265907	0	49	-1.0	-43.20	370.98	9.23	-33.97
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1C	REAL300020265907	1	49	-1.0	-43.22	370.99	9.21	-34.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020265908	0	49	-1.0	-40.68	386.38	9.57	-31.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020265908	1	49	-1.0	-40.66	386.43	9.59	-31.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020265909	0	46	-1.0	-43.39	364.93	8.81	-34.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020265909	1	46	-1.0	-43.41	364.87	8.78	-34.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020265910	0	52	-1.0	-40.88	395.12	10.38	-30.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020265910	1	52	-1.0	-40.90	395.18	10.39	-30.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020265911	0	49	-1.0	-44.89	373.62	9.81	-35.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020265911	1	49	-1.0	-44.92	373.68	9.84	-35.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020265912	0	50	-1.0	-40.76	389.35	7.08	-33.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020265912	1	50	-1.0	-40.77	389.41	7.09	-33.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020265913	0	47	-1.0	-47.14	380.19	8.18	-38.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020265913	1	47	-1.0	-47.12	380.13	8.15	-38.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020265914	0	52	-1.0	-42.50	402.81	9.58	-32.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020265914	1	52	-1.0	-42.49	402.87	9.60	-32.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020265915	0	49	-1.0	-43.79	386.17	8.93	-34.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020265915	1	49	-1.0	-43.78	386.23	8.96	-34.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCSC	REAL300020265916	0	42	-1.0	-39.89	354.36	6.76	-33.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCSC	REAL300020265916	1	42	-1.0	-39.91	354.42	6.78	-33.13
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCSC	REAL300020265917	0	46	-1.0	-41.71	386.81	8.85	-32.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCSC	REAL300020265917	1	46	-1.0	-41.68	386.85	8.84	-32.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020265918	0	55	-1.0	-41.08	421.09	11.10	-29.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020265918	1	55	-1.0	-41.10	421.15	11.11	-29.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020265919	0	52	-1.0	-43.83	405.01	9.54	-34.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020265919	1	52	-1.0	-43.84	405.07	9.57	-34.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C#N)C=C1	REAL300020265920	0	50	-1.0	-42.36	410.23	7.66	-34.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C#N)C=C1	REAL300020265920	1	50	-1.0	-42.35	410.28	7.67	-34.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C#N)C=C1	REAL300020265921	0	47	-1.0	-44.81	388.86	6.85	-37.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C#N)C=C1	REAL300020265921	1	47	-1.0	-44.80	388.92	6.88	-37.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC(F)=CC(F)=C1	REAL300020265922	0	46	-1.0	-41.78	394.31	6.37	-35.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC(F)=CC(F)=C1	REAL300020265922	1	46	-1.0	-41.78	394.37	6.39	-35.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC(F)=CC(F)=C1	REAL300020265923	0	43	-1.0	-44.20	376.25	5.75	-38.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC(F)=CC(F)=C1	REAL300020265923	1	43	-1.0	-44.19	376.31	5.77	-38.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020265924	0	49	-1.0	-45.03	381.27	6.45	-38.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020265924	1	49	-1.0	-44.99	381.32	6.47	-38.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020265925	0	46	-1.0	-45.31	363.46	5.74	-39.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020265925	1	46	-1.0	-45.33	363.51	5.76	-39.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020265926	0	48	-1.0	-40.86	378.69	7.11	-33.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020265926	1	48	-1.0	-40.90	378.74	7.13	-33.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020265927	0	45	-1.0	-42.24	353.59	5.63	-36.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020265927	1	45	-1.0	-42.22	353.53	5.61	-36.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C2OCCC2=C1)C1CCCC1	REAL300020265928	0	54	-1.0	-49.16	413.62	7.93	-41.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C2OCCC2=C1)C1CCCC1	REAL300020265928	1	54	-1.0	-49.20	413.68	7.95	-41.25
CCN(CC1=CC=C(C(=O)N(C)C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265929	0	55	-1.0	-47.51	430.79	7.60	-39.91
CCN(CC1=CC=C(C(=O)N(C)C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265929	1	55	-1.0	-47.52	430.85	7.62	-39.90
CCN(CC1=CC=C(C(=O)N(C)C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265930	0	52	-1.0	-49.40	415.12	7.03	-42.37
CCN(CC1=CC=C(C(=O)N(C)C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265930	1	52	-1.0	-49.42	415.18	7.06	-42.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020265931	0	46	-1.0	-39.97	365.49	8.64	-31.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020265931	1	46	-1.0	-39.97	365.55	8.66	-31.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020265932	0	43	-1.0	-42.27	347.85	8.00	-34.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020265932	1	43	-1.0	-42.31	347.79	7.98	-34.33
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020265933	0	50	-1.0	-41.54	397.57	10.77	-30.77
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020265933	1	50	-1.0	-41.55	397.60	10.76	-30.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020265934	0	44	-1.0	-42.68	347.69	6.17	-36.51
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020265934	1	44	-1.0	-42.71	347.70	6.15	-36.56
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020265935	0	43	-1.0	-48.56	348.25	8.17	-40.39
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020265935	1	43	-1.0	-48.58	348.30	8.17	-40.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020265936	0	43	-1.0	-46.10	363.64	7.41	-38.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020265936	1	43	-1.0	-46.09	363.69	7.43	-38.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020265937	0	40	-1.0	-43.20	332.03	6.16	-37.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020265937	1	40	-1.0	-43.22	331.97	6.16	-37.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020265938	0	47	-1.0	-44.03	384.27	8.99	-35.04
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020265938	1	47	-1.0	-44.00	384.29	8.98	-35.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CCOC	REAL300020265939	0	43	-1.0	-41.31	344.28	4.46	-36.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CCOC	REAL300020265939	1	43	-1.0	-41.32	344.34	4.48	-36.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CCOC	REAL300020265940	0	40	-1.0	-44.85	327.12	3.55	-41.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CCOC	REAL300020265940	1	40	-1.0	-44.85	327.18	3.57	-41.28
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CCOC	REAL300020265941	0	47	-1.0	-45.98	385.53	6.42	-39.56
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CCOC	REAL300020265941	1	47	-1.0	-45.93	385.56	6.42	-39.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CCC(C)C	REAL300020265942	0	48	-1.0	-43.00	393.41	7.78	-35.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CCC(C)C	REAL300020265942	1	48	-1.0	-43.03	393.46	7.79	-35.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CCC(C)C	REAL300020265943	0	45	-1.0	-43.22	354.39	6.57	-36.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CCC(C)C	REAL300020265943	1	45	-1.0	-43.22	354.45	6.58	-36.64
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CCC(C)C	REAL300020265944	0	52	-1.0	-44.39	410.64	9.31	-35.08
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CCC(C)C	REAL300020265944	1	52	-1.0	-44.37	410.69	9.30	-35.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2C#N)CC1	REAL300020265945	0	52	-1.0	-49.74	416.85	9.20	-40.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2C#N)CC1	REAL300020265945	1	52	-1.0	-49.71	416.90	9.21	-40.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2C#N)CC1	REAL300020265946	0	49	-1.0	-56.21	382.17	7.89	-48.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2C#N)CC1	REAL300020265946	1	49	-1.0	-56.23	382.22	7.91	-48.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020265947	0	40	-1.0	-41.93	319.04	3.05	-38.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020265947	1	40	-1.0	-41.94	319.10	3.07	-38.87
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020265948	0	44	-1.0	-44.95	343.31	4.22	-40.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020265948	1	44	-1.0	-44.97	343.35	4.21	-40.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020265949	0	52	-1.0	-42.27	410.73	7.80	-34.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020265949	1	52	-1.0	-42.28	410.79	7.82	-34.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020265950	0	49	-1.0	-45.20	392.43	6.76	-38.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020265950	1	49	-1.0	-45.20	392.48	6.78	-38.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020265951	0	58	0.0	-68.10	446.35	10.09	-58.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020265951	1	58	0.0	-68.13	446.40	10.11	-58.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020265952	0	55	0.0	-68.91	424.82	9.31	-59.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020265952	1	55	0.0	-68.91	424.89	9.33	-59.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CCCC1	REAL300020265953	0	49	-1.0	-46.39	390.51	8.67	-37.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CCCC1	REAL300020265953	1	49	-1.0	-46.42	390.58	8.70	-37.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CCCC1	REAL300020265954	0	49	-1.0	-44.25	394.01	9.13	-35.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CCCC1	REAL300020265954	1	49	-1.0	-44.22	394.07	9.16	-35.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020265955	0	46	-1.0	-42.40	364.50	8.00	-34.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020265955	1	46	-1.0	-42.40	364.55	8.02	-34.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020265956	0	43	-1.0	-43.45	344.26	8.17	-35.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020265956	1	43	-1.0	-43.42	344.20	8.15	-35.27
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020265957	0	50	-1.0	-42.52	393.54	10.89	-31.63
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020265957	1	50	-1.0	-42.50	393.57	10.88	-31.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020265958	0	42	-1.0	-40.11	343.57	7.24	-32.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020265958	1	42	-1.0	-40.09	343.63	7.25	-32.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020265959	0	39	-1.0	-42.61	324.79	6.58	-36.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020265959	1	39	-1.0	-42.61	324.74	6.55	-36.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020265960	0	46	-1.0	-41.96	372.88	9.23	-32.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020265960	1	46	-1.0	-41.95	372.91	9.22	-32.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C2=CC=CC=C2)C1	REAL300020265961	0	50	-1.0	-44.32	402.50	10.94	-33.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C2=CC=CC=C2)C1	REAL300020265961	1	50	-1.0	-44.35	402.45	10.92	-33.43
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC1	REAL300020265962	0	41	-1.0	-41.31	336.52	7.99	-33.32
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC1	REAL300020265962	1	41	-1.0	-41.42	334.42	7.98	-33.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=C(C)C=C(C)C=C1C	REAL300020265963	0	55	-1.0	-41.43	439.57	8.56	-32.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=C(C)C=C(C)C=C1C	REAL300020265963	1	55	-1.0	-41.47	439.63	8.57	-32.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=C(C)C=C(C)C=C1C	REAL300020265964	0	52	-1.0	-44.79	422.06	7.84	-36.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=C(C)C=C(C)C=C1C	REAL300020265964	1	52	-1.0	-44.79	422.12	7.86	-36.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(C(F)(F)F)C=C1	REAL300020265965	0	48	-1.0	-41.92	404.48	9.43	-32.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(C(F)(F)F)C=C1	REAL300020265965	1	48	-1.0	-41.93	404.54	9.45	-32.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(C(F)(F)F)C=C1	REAL300020265966	0	45	-1.0	-41.76	386.66	8.20	-33.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(C(F)(F)F)C=C1	REAL300020265966	1	45	-1.0	-41.74	386.72	8.23	-33.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020265967	0	50	-1.0	-42.09	399.93	6.83	-35.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020265967	1	50	-1.0	-42.07	399.98	6.85	-35.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020265968	0	47	-1.0	-43.82	382.91	5.97	-37.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020265968	1	47	-1.0	-43.88	382.96	6.00	-37.88
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265969	0	48	-1.0	-43.65	389.66	8.34	-35.31
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265969	1	48	-1.0	-43.71	389.72	8.36	-35.35
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265970	0	45	-1.0	-45.41	366.64	7.55	-37.86
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265970	1	45	-1.0	-45.37	366.59	7.52	-37.85
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265971	0	51	-1.0	-42.36	396.71	9.73	-32.63
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265971	1	51	-1.0	-42.32	396.79	9.75	-32.57
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265972	0	48	-1.0	-45.70	385.69	9.23	-36.47
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265972	1	48	-1.0	-45.67	385.65	9.20	-36.47
CCN(CC1=CC=C(OC)C=C1OC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265973	0	53	-1.0	-42.17	424.77	7.40	-34.77
CCN(CC1=CC=C(OC)C=C1OC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265973	1	53	-1.0	-42.19	424.83	7.42	-34.77
CCN(CC1=CC=C(OC)C=C1OC)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265974	0	50	-1.0	-46.04	400.86	5.82	-40.22
CCN(CC1=CC=C(OC)C=C1OC)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265974	1	50	-1.0	-46.08	400.92	5.85	-40.23
CCC(CC)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265975	0	50	-1.0	-41.74	370.07	7.46	-34.28
CCC(CC)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265975	1	50	-1.0	-41.74	370.13	7.47	-34.27
CCC(CC)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265976	0	47	-1.0	-46.72	357.59	8.28	-38.44
CCC(CC)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265976	1	47	-1.0	-46.72	357.65	8.30	-38.42
CCC(CC)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265977	0	54	-1.0	-44.38	403.71	10.97	-33.41
CCC(CC)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265977	1	54	-1.0	-44.31	403.75	10.97	-33.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2)CC1	REAL300020265978	0	53	-1.0	-50.27	417.77	8.94	-41.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2)CC1	REAL300020265978	1	53	-1.0	-50.23	417.83	8.96	-41.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2)CC1	REAL300020265979	0	50	-1.0	-43.63	375.91	7.68	-35.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=CC=C2)CC1	REAL300020265979	1	50	-1.0	-43.64	375.96	7.70	-35.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CC1	REAL300020265980	0	48	-1.0	-39.76	382.33	8.07	-31.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CC1	REAL300020265980	1	48	-1.0	-39.77	382.39	8.08	-31.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CC1	REAL300020265981	0	45	-1.0	-42.54	357.09	7.31	-35.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CC1	REAL300020265981	1	45	-1.0	-42.55	357.13	7.33	-35.22
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC(C)C)C1CC1	REAL300020265982	0	52	-1.0	-42.36	401.02	10.40	-31.96
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC(C)C)C1CC1	REAL300020265982	1	52	-1.0	-42.36	401.04	10.39	-31.97
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020265983	0	46	-1.0	-41.70	365.00	8.08	-33.62
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020265983	1	46	-1.0	-41.71	365.05	8.10	-33.61
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020265984	0	43	-1.0	-44.81	353.04	7.57	-37.24
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020265984	1	43	-1.0	-44.76	352.98	7.54	-37.22
C=CCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020265985	0	50	-1.0	-43.17	402.31	10.31	-32.86
C=CCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020265985	1	50	-1.0	-43.11	402.34	10.30	-32.81
CCOC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C(C)C)C=C1	REAL300020265986	0	55	-1.0	-40.87	429.15	8.61	-32.26
CCOC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C(C)C)C=C1	REAL300020265986	1	55	-1.0	-40.86	429.20	8.62	-32.24
CCOC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C(C)C)C=C1	REAL300020265987	0	52	-1.0	-42.80	406.64	7.71	-35.09
CCOC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C(C)C)C=C1	REAL300020265987	1	52	-1.0	-42.82	406.70	7.74	-35.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CO1	REAL300020265988	0	46	-1.0	-43.46	385.95	5.84	-37.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CO1	REAL300020265988	1	46	-1.0	-43.48	386.00	5.86	-37.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CO1	REAL300020265989	0	43	-1.0	-47.05	356.58	4.52	-42.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CO1	REAL300020265989	1	43	-1.0	-47.08	356.53	4.50	-42.58
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)CC1=CC=CO1	REAL300020265990	0	50	-1.0	-45.42	405.99	7.32	-38.10
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)CC1=CC=CO1	REAL300020265990	1	50	-1.0	-45.45	406.02	7.31	-38.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC(C)C	REAL300020265991	0	48	-1.0	-43.22	373.72	5.37	-37.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC(C)C	REAL300020265991	1	48	-1.0	-43.19	373.77	5.39	-37.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC(C)C	REAL300020265992	0	45	-1.0	-45.85	355.58	4.68	-41.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC(C)C	REAL300020265992	1	45	-1.0	-45.84	355.64	4.70	-41.14
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)CC(C)C	REAL300020265993	0	52	-1.0	-43.85	397.07	7.63	-36.22
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)CC(C)C	REAL300020265993	1	52	-1.0	-43.82	397.10	7.62	-36.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020265994	0	51	-1.0	-40.57	385.15	8.15	-32.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020265994	1	51	-1.0	-40.57	385.21	8.16	-32.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020265995	0	48	-1.0	-42.26	364.88	7.41	-34.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020265995	1	48	-1.0	-42.27	364.93	7.43	-34.84
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020265996	0	55	-1.0	-41.99	410.12	10.61	-31.38
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020265996	1	55	-1.0	-41.91	410.16	10.59	-31.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020265997	0	54	-1.0	-42.09	419.89	9.76	-32.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020265997	1	54	-1.0	-42.13	419.95	9.77	-32.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020265998	0	51	-1.0	-45.47	404.44	9.47	-36.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020265998	1	51	-1.0	-45.46	404.50	9.49	-35.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC(C)C	REAL300020265999	0	51	-1.0	-43.22	398.59	9.90	-33.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC(C)C	REAL300020265999	1	51	-1.0	-43.25	398.65	9.91	-33.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC(C)C	REAL300020266000	0	48	-1.0	-47.42	377.16	8.04	-39.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC(C)C	REAL300020266000	1	48	-1.0	-47.42	377.10	8.02	-39.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020266001	0	51	-1.0	-40.62	404.86	9.98	-30.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020266001	1	51	-1.0	-40.60	404.91	9.99	-30.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020266002	0	48	-1.0	-47.07	381.49	8.41	-38.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020266002	1	48	-1.0	-47.07	381.44	8.38	-38.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CCCC1	REAL300020266003	0	49	-1.0	-40.48	385.80	8.58	-31.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CCCC1	REAL300020266003	1	49	-1.0	-40.46	385.86	8.60	-31.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020266004	0	52	-1.0	-41.51	402.27	8.64	-32.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020266004	1	52	-1.0	-41.49	402.33	8.66	-32.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020266005	0	49	-1.0	-45.14	386.13	8.11	-37.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020266005	1	49	-1.0	-45.14	386.19	8.13	-37.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020266006	0	54	-1.0	-39.74	406.54	8.86	-30.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020266006	1	54	-1.0	-39.77	406.59	8.88	-30.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020266007	0	51	-1.0	-42.26	384.18	7.81	-34.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020266007	1	51	-1.0	-42.26	384.23	7.84	-34.42
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020266008	0	58	-1.0	-41.35	433.71	10.48	-30.87
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020266008	1	58	-1.0	-41.35	433.73	10.47	-30.88
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266009	0	45	-1.0	-41.27	381.14	8.18	-33.09
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266009	1	45	-1.0	-41.25	381.20	8.20	-33.05
CCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266010	0	42	-1.0	-44.13	353.64	6.92	-37.21
CCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266010	1	42	-1.0	-44.14	353.69	6.95	-37.19
CCN(CCC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266011	0	49	-1.0	-43.77	400.56	9.65	-34.12
CCN(CCC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266011	1	49	-1.0	-43.74	400.59	9.64	-34.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1OC)CC1CCCO1	REAL300020266012	0	54	-1.0	-44.86	407.16	6.89	-37.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1OC)CC1CCCO1	REAL300020266012	1	54	-1.0	-44.87	407.25	6.90	-37.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020266013	0	50	-1.0	-42.47	407.22	4.37	-38.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020266013	1	50	-1.0	-42.47	407.28	4.39	-38.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020266014	0	47	-1.0	-44.39	390.01	3.56	-40.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020266014	1	47	-1.0	-44.36	389.96	3.53	-40.83
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1C	REAL300020266015	0	44	-1.0	-43.43	349.50	5.84	-37.59
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1C	REAL300020266015	1	44	-1.0	-43.36	349.54	5.83	-37.53
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C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266062	0	47	-1.0	-44.86	382.53	6.85	-38.01
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266062	1	47	-1.0	-44.89	382.48	6.83	-38.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020266063	0	46	-1.0	-44.06	372.64	9.49	-34.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020266063	1	46	-1.0	-44.06	372.70	9.50	-34.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020266064	0	43	-1.0	-43.36	339.67	7.42	-35.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020266064	1	43	-1.0	-43.43	339.62	7.40	-36.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCOC)CCOC	REAL300020266065	0	49	-1.0	-42.38	386.80	3.73	-38.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCOC)CCOC	REAL300020266065	1	49	-1.0	-42.37	386.85	3.74	-38.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCOC)CCOC	REAL300020266066	0	46	-1.0	-44.87	366.80	3.06	-41.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCOC)CCOC	REAL300020266066	1	46	-1.0	-44.85	366.85	3.08	-41.77
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCOC)CCOC	REAL300020266067	0	53	-1.0	-44.06	411.24	5.72	-38.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCOC)CCOC	REAL300020266067	1	53	-1.0	-44.09	411.28	5.71	-38.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020266068	0	54	-1.0	-39.11	386.64	8.62	-30.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020266068	1	54	-1.0	-39.12	386.70	8.64	-30.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020266069	0	51	-1.0	-41.59	355.66	8.00	-33.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020266069	1	51	-1.0	-41.60	355.72	8.03	-33.57
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020266070	0	58	-1.0	-40.68	418.86	11.82	-28.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020266070	1	58	-1.0	-40.67	418.90	11.81	-28.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020266071	0	52	-1.0	-39.93	410.00	10.03	-29.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020266071	1	52	-1.0	-39.89	410.06	10.05	-29.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020266072	0	49	-1.0	-43.13	382.38	9.39	-33.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020266072	1	49	-1.0	-43.16	382.32	9.36	-33.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020266073	0	46	-1.0	-40.95	354.91	4.90	-36.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020266073	1	46	-1.0	-40.96	354.96	4.91	-36.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020266074	0	43	-1.0	-43.46	341.51	4.36	-39.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020266074	1	43	-1.0	-43.46	341.57	4.39	-39.07
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020266075	0	50	-1.0	-42.84	387.45	7.01	-35.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020266075	1	50	-1.0	-42.79	387.49	6.99	-35.80
C=CCC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CCCC1(C)C	REAL300020266076	0	52	-1.0	-40.60	388.62	7.68	-32.92
C=CCC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CCCC1(C)C	REAL300020266076	1	52	-1.0	-40.63	388.68	7.69	-32.94
C=CCC1N(C2=NN=C(CC3=N[N-]N=N3)N2CC)CCCC1(C)C	REAL300020266077	0	49	-1.0	-44.19	367.14	6.90	-37.29
C=CCC1N(C2=NN=C(CC3=NN=N[N-]3)N2CC)CCCC1(C)C	REAL300020266077	1	49	-1.0	-44.17	367.20	6.93	-37.24
C=CCC1N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CCCC1(C)C	REAL300020266078	0	56	-1.0	-43.17	401.27	9.22	-33.95
C=CCC1N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CCCC1(C)C	REAL300020266078	1	56	-1.0	-43.20	401.30	9.22	-33.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C3CCCCN32)CC1	REAL300020266079	0	56	-1.0	-43.11	435.27	9.43	-33.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C3CCCCN32)CC1	REAL300020266079	1	56	-1.0	-43.11	435.32	9.45	-33.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=[NH+]C=C3CCCCN32)CC1	REAL300020266079	1	57	0.0	-59.39	437.48	10.07	-49.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C3CCCCN32)CC1	REAL300020266080	0	53	-1.0	-44.69	416.58	8.94	-35.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C3CCCCN32)CC1	REAL300020266080	1	53	-1.0	-44.71	416.64	8.97	-35.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=[NH+]C=C3CCCCN32)CC1	REAL300020266080	1	54	0.0	-59.67	415.64	9.46	-50.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020266081	0	48	-1.0	-53.82	387.50	4.16	-49.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020266081	1	48	-1.0	-53.78	387.56	4.18	-49.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020266082	0	45	-1.0	-59.89	362.13	3.43	-56.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020266082	1	45	-1.0	-59.88	362.19	3.44	-56.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC=C(C)C1	REAL300020266083	0	44	-1.0	-42.08	343.99	8.40	-33.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC=C(C)C1	REAL300020266083	1	44	-1.0	-42.07	344.02	8.40	-33.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020266084	0	37	-1.0	-39.96	321.38	6.52	-33.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020266084	1	37	-1.0	-39.96	321.44	6.53	-33.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020266085	0	34	-1.0	-42.47	299.81	5.73	-36.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020266085	1	34	-1.0	-42.48	299.87	5.75	-36.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020266086	0	49	-1.0	-39.39	371.62	6.20	-33.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020266086	1	49	-1.0	-39.39	371.68	6.22	-33.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020266087	0	46	-1.0	-41.41	348.35	5.44	-35.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020266087	1	46	-1.0	-41.44	348.41	5.46	-35.98
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020266088	0	53	-1.0	-41.60	397.35	8.37	-33.23
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020266088	1	53	-1.0	-41.55	397.37	8.36	-33.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020266089	0	49	-1.0	-39.81	384.00	8.70	-31.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020266089	1	49	-1.0	-39.85	384.06	8.72	-31.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020266090	0	46	-1.0	-44.23	355.53	7.38	-36.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020266090	1	46	-1.0	-44.21	355.59	7.40	-36.81
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020266091	0	53	-1.0	-42.43	410.22	10.08	-32.35
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020266091	1	53	-1.0	-42.44	410.25	10.08	-32.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020266092	0	40	-1.0	-39.63	339.46	7.29	-32.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020266092	1	40	-1.0	-39.63	339.51	7.30	-32.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020266093	0	37	-1.0	-41.76	317.95	6.49	-35.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020266093	1	37	-1.0	-41.76	318.00	6.51	-35.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C(C)C)CC1=CC=C(Cl)C=C1	REAL300020266094	0	49	-1.0	-43.70	403.93	9.28	-34.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C(C)C)CC1=CC=C(Cl)C=C1	REAL300020266094	1	49	-1.0	-43.73	404.00	9.31	-34.42
CCN(CC1=CC=CC=C1Br)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266095	0	42	-1.0	-46.56	358.73	7.51	-39.05
CCN(CC1=CC=CC=C1Br)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266095	1	42	-1.0	-46.56	358.79	7.52	-39.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C(OC)=C2)CC1	REAL300020266096	0	49	-1.0	-44.69	398.78	5.64	-39.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C(OC)=C2)CC1	REAL300020266096	1	49	-1.0	-44.67	398.84	5.67	-39.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N(C)C(C)C1=CC=CC=C1	REAL300020266097	0	55	-1.0	-41.87	433.87	8.63	-33.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N(C)C(C)C1=CC=CC=C1	REAL300020266097	1	55	-1.0	-41.84	433.92	8.65	-33.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N(C)C(C)C1=CC=CC=C1	REAL300020266098	0	52	-1.0	-44.96	416.32	7.98	-36.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N(C)C(C)C1=CC=CC=C1	REAL300020266098	1	52	-1.0	-44.97	416.39	8.02	-36.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020266099	0	40	-1.0	-42.49	330.00	4.70	-37.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020266099	1	40	-1.0	-42.52	330.05	4.71	-37.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020266100	0	37	-1.0	-45.27	310.40	3.89	-41.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020266100	1	37	-1.0	-45.28	310.46	3.92	-41.36
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020266101	0	44	-1.0	-44.47	359.59	6.66	-37.81
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020266101	1	44	-1.0	-44.44	359.62	6.66	-37.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCNC(C)=O)CC1=CSC=C1	REAL300020266102	0	49	-1.0	-43.81	418.93	5.66	-38.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCNC(C)=O)CC1=CSC=C1	REAL300020266102	1	49	-1.0	-43.78	418.99	5.67	-38.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCNC(C)=O)CC1=CSC=C1	REAL300020266103	0	46	-1.0	-47.63	401.54	4.98	-42.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCNC(C)=O)CC1=CSC=C1	REAL300020266103	1	46	-1.0	-47.63	401.61	5.01	-42.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCNC(C)=O)CC1=CC=C(C)S1	REAL300020266104	0	49	-1.0	-47.01	409.21	5.24	-41.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCNC(C)=O)CC1=CC=C(C)S1	REAL300020266104	1	49	-1.0	-47.07	409.27	5.27	-41.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020266105	0	43	-1.0	-42.52	344.82	7.29	-35.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020266105	1	43	-1.0	-42.53	344.88	7.31	-35.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020266106	0	40	-1.0	-44.90	321.97	6.53	-38.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020266106	1	40	-1.0	-44.89	321.97	6.52	-38.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020266107	0	47	-1.0	-43.85	371.84	9.65	-34.20
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020266107	1	47	-1.0	-43.81	371.89	9.64	-34.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020266108	0	52	-1.0	-40.52	379.24	9.09	-31.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020266108	1	52	-1.0	-40.52	379.30	9.11	-31.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020266109	0	49	-1.0	-44.53	360.90	7.95	-36.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020266109	1	49	-1.0	-44.53	360.96	7.97	-36.56
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020266110	0	56	-1.0	-43.18	408.94	10.66	-32.52
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020266110	1	56	-1.0	-43.18	408.99	10.64	-32.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020266111	0	42	-1.0	-51.76	347.71	2.17	-49.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020266111	1	42	-1.0	-51.76	347.76	2.18	-49.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020266112	0	39	-1.0	-49.15	330.14	1.61	-47.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020266112	1	39	-1.0	-49.14	330.20	1.63	-47.51
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020266113	0	46	-1.0	-53.80	368.56	4.76	-49.04
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020266113	1	46	-1.0	-53.77	368.60	4.76	-49.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020266114	0	49	-1.0	-42.76	383.46	4.15	-38.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020266114	1	49	-1.0	-42.79	383.52	4.16	-38.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020266115	0	46	-1.0	-43.85	373.42	3.62	-40.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020266115	1	46	-1.0	-43.90	373.47	3.64	-40.26
CCCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266116	0	48	-1.0	-42.59	374.13	8.37	-34.22
CCCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266116	1	48	-1.0	-42.55	374.18	8.35	-34.20
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266117	0	44	-1.0	-41.69	366.97	8.48	-33.21
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266117	1	44	-1.0	-41.73	367.02	8.48	-33.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CCOC	REAL300020266118	0	46	-1.0	-40.57	375.05	3.44	-37.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CCOC	REAL300020266118	1	46	-1.0	-40.58	375.10	3.46	-37.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CCOC	REAL300020266119	0	43	-1.0	-46.19	345.41	2.33	-43.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CCOC	REAL300020266119	1	43	-1.0	-46.21	345.47	2.36	-43.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)CCOC	REAL300020266120	0	50	-1.0	-41.95	407.37	5.47	-36.48
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)CCOC	REAL300020266120	1	50	-1.0	-41.97	407.35	5.42	-36.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020266121	0	46	-1.0	-42.13	369.40	4.46	-37.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020266121	1	46	-1.0	-42.12	369.46	4.48	-37.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020266122	0	43	-1.0	-44.88	345.71	4.10	-40.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020266122	1	43	-1.0	-44.87	345.65	4.07	-40.80
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020266123	0	50	-1.0	-43.89	389.28	6.60	-37.29
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020266123	1	50	-1.0	-43.79	389.32	6.60	-37.19
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC)C1CCCCC1	REAL300020266124	0	48	-1.0	-40.95	364.35	6.46	-34.49
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC)C1CCCCC1	REAL300020266124	1	48	-1.0	-40.98	364.40	6.48	-34.50
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC)C1CCCCC1	REAL300020266125	0	45	-1.0	-43.61	347.88	5.89	-37.72
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC)C1CCCCC1	REAL300020266125	1	45	-1.0	-43.59	347.82	5.87	-37.72
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC)C1CCCCC1	REAL300020266126	0	52	-1.0	-42.77	397.40	8.57	-34.20
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC)C1CCCCC1	REAL300020266126	1	52	-1.0	-42.76	397.44	8.57	-34.19
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266127	0	45	-1.0	-39.98	367.93	7.93	-32.05
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266127	1	45	-1.0	-40.00	367.99	7.94	-32.06
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266128	0	42	-1.0	-42.76	349.46	7.42	-35.34
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266128	1	42	-1.0	-42.78	349.41	7.39	-35.39
CCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266129	0	49	-1.0	-41.67	398.89	9.99	-31.68
CCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266129	1	49	-1.0	-41.67	398.92	9.98	-31.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020266130	0	45	-1.0	-39.71	336.75	8.16	-31.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020266130	1	45	-1.0	-39.67	336.81	8.17	-31.50
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCC1	REAL300020266131	0	49	-1.0	-41.64	364.96	10.15	-31.49
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCC1	REAL300020266131	1	49	-1.0	-41.55	365.00	10.14	-31.41
CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266132	0	48	-1.0	-42.56	371.91	8.31	-34.25
CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266132	1	48	-1.0	-42.56	371.95	8.30	-34.26
CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266133	0	45	-1.0	-40.47	357.95	7.12	-33.35
CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266133	1	45	-1.0	-40.47	358.00	7.13	-33.34
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266134	0	49	-1.0	-42.45	384.64	9.24	-33.21
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266134	1	49	-1.0	-42.47	384.68	9.24	-33.23
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266135	0	46	-1.0	-42.23	363.01	7.94	-34.29
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266135	1	46	-1.0	-42.28	363.05	7.93	-34.35
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266136	0	50	-1.0	-50.31	413.33	6.87	-43.44
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266136	1	50	-1.0	-50.29	413.39	6.88	-43.41
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266137	0	47	-1.0	-49.33	391.82	6.08	-43.25
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266137	1	47	-1.0	-49.37	391.88	6.11	-43.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020266138	0	49	-1.0	-41.69	380.57	6.83	-34.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020266138	1	49	-1.0	-41.70	380.63	6.84	-34.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020266139	0	46	-1.0	-43.53	363.67	6.28	-37.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020266139	1	46	-1.0	-43.49	363.61	6.27	-37.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020266140	0	48	-1.0	-48.80	403.90	8.54	-40.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020266140	1	48	-1.0	-48.77	403.96	8.55	-40.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020266141	0	45	-1.0	-50.53	382.40	7.74	-42.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020266141	1	45	-1.0	-50.52	382.46	7.77	-42.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020266142	0	49	-1.0	-42.47	411.12	9.65	-32.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020266142	1	49	-1.0	-42.46	411.18	9.67	-32.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020266143	0	46	-1.0	-45.64	379.30	8.36	-37.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020266143	1	46	-1.0	-45.68	379.24	8.34	-37.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020266144	0	50	-1.0	-44.13	395.63	8.77	-35.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020266144	1	50	-1.0	-44.12	395.68	8.79	-35.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020266145	0	47	-1.0	-43.40	362.61	6.63	-36.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020266145	1	47	-1.0	-43.46	362.52	6.60	-36.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020266146	0	52	-1.0	-46.84	400.11	6.62	-40.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020266146	1	52	-1.0	-46.83	400.17	6.64	-40.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020266147	0	49	-1.0	-49.10	378.01	6.09	-43.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCCOC2=C1	REAL300020266147	1	49	-1.0	-49.08	378.06	6.11	-42.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020266148	0	46	-1.0	-42.78	385.42	7.38	-35.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020266148	1	46	-1.0	-42.78	385.48	7.39	-35.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020266149	0	43	-1.0	-44.24	368.71	7.18	-37.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020266149	1	43	-1.0	-44.20	368.65	7.17	-37.03
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266150	0	42	-1.0	-40.15	370.87	7.66	-32.49
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266150	1	42	-1.0	-40.14	370.93	7.67	-32.47
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266151	0	39	-1.0	-40.24	353.98	7.14	-33.10
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266151	1	39	-1.0	-40.26	354.03	7.16	-33.10
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266152	0	43	-1.0	-38.94	388.53	8.38	-30.56
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266152	1	43	-1.0	-38.95	388.59	8.40	-30.55
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266153	0	40	-1.0	-40.30	367.09	7.62	-32.68
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266153	1	40	-1.0	-40.29	367.04	7.60	-32.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(S(N)(=O)=O)C=C1	REAL300020266154	0	47	-1.0	-48.03	402.17	2.15	-45.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(S(N)(=O)=O)C=C1	REAL300020266154	1	47	-1.0	-48.03	402.23	2.18	-45.85
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266155	0	43	-1.0	-39.81	371.53	7.77	-32.04
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266155	1	43	-1.0	-39.77	371.58	7.78	-31.99
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266156	0	40	-1.0	-42.96	352.97	7.38	-35.58
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266156	1	40	-1.0	-42.97	352.91	7.36	-35.61
C=CCN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266157	0	47	-1.0	-41.31	395.36	9.79	-31.52
C=CCN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266157	1	47	-1.0	-41.28	395.39	9.77	-31.51
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266158	0	48	-1.0	-42.23	394.15	6.73	-35.50
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266158	1	48	-1.0	-42.22	394.21	6.75	-35.47
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266159	0	45	-1.0	-45.35	367.90	6.00	-39.35
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266159	1	45	-1.0	-45.38	367.95	6.02	-39.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)CC1=CC=CS1	REAL300020266160	0	43	-1.0	-42.52	365.92	8.19	-34.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)CC1=CC=CS1	REAL300020266160	1	43	-1.0	-42.55	365.87	8.17	-34.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020266161	0	51	-1.0	-42.01	403.58	9.57	-32.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020266161	1	51	-1.0	-42.01	403.64	9.58	-32.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020266162	0	48	-1.0	-42.11	384.51	9.41	-32.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020266162	1	48	-1.0	-42.07	384.57	9.43	-32.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C(C)C)C=C1	REAL300020266163	0	55	-1.0	-42.77	426.37	11.39	-31.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C(C)C)C=C1	REAL300020266163	1	55	-1.0	-42.75	426.43	11.41	-31.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C(C)C)C=C1	REAL300020266164	0	52	-1.0	-42.82	398.65	9.11	-33.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C(C)C)C=C1	REAL300020266164	1	52	-1.0	-42.82	398.71	9.13	-33.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020266165	0	43	-1.0	-40.32	358.76	8.44	-31.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020266165	1	43	-1.0	-40.32	358.82	8.45	-31.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020266166	0	40	-1.0	-42.77	337.33	7.68	-35.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020266166	1	40	-1.0	-42.78	337.27	7.65	-35.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020266167	0	43	-1.0	-42.29	375.86	8.22	-34.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020266167	1	43	-1.0	-42.23	375.91	8.24	-33.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020266168	0	40	-1.0	-44.14	349.80	7.47	-36.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020266168	1	40	-1.0	-44.15	349.85	7.49	-36.66
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266169	0	44	-1.0	-54.72	366.93	2.48	-52.24
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266169	1	44	-1.0	-54.73	366.99	2.49	-52.24
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266170	0	41	-1.0	-58.27	343.77	1.50	-56.77
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266170	1	41	-1.0	-58.24	343.83	1.53	-56.71
CCN(CCS(C)(=O)=O)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266171	0	48	-1.0	-56.79	392.46	4.30	-52.49
CCN(CCS(C)(=O)=O)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266171	1	48	-1.0	-56.79	392.51	4.29	-52.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020266172	0	45	-1.0	-53.48	385.40	3.55	-49.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020266172	1	45	-1.0	-53.50	385.46	3.57	-49.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020266173	0	42	-1.0	-55.47	360.15	2.79	-52.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020266173	1	42	-1.0	-55.48	360.21	2.80	-52.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL300020266174	0	43	-1.0	-40.18	384.94	9.18	-31.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL300020266174	1	43	-1.0	-40.14	385.00	9.20	-30.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL300020266175	0	40	-1.0	-41.27	359.42	8.46	-32.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL300020266175	1	40	-1.0	-41.25	359.48	8.47	-32.78
CCN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266176	0	45	-1.0	-40.96	352.38	6.99	-33.97
CCN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266176	1	45	-1.0	-41.00	352.44	7.00	-34.00
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266177	0	49	-1.0	-42.57	384.25	9.19	-33.38
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266177	1	49	-1.0	-42.55	384.28	9.17	-33.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Br)=CC=C2C1	REAL300020266178	0	40	-1.0	-44.47	342.05	7.37	-37.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Br)=CC=C2C1	REAL300020266178	1	40	-1.0	-44.47	342.12	7.38	-37.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C3=CC=CC=C3N=C2C)CC1	REAL300020266179	0	52	-1.0	-45.50	414.51	9.31	-36.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C3=CC=CC=C3N=C2C)CC1	REAL300020266179	1	52	-1.0	-45.51	414.57	9.33	-36.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300020266180	0	56	0.0	-65.58	430.36	7.32	-58.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300020266180	1	56	0.0	-66.85	425.10	7.31	-59.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300020266181	0	53	0.0	-67.47	407.40	6.46	-61.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300020266181	1	53	0.0	-67.47	406.80	6.66	-60.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020266182	0	43	-1.0	-42.31	359.85	7.80	-34.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020266182	1	43	-1.0	-42.32	359.91	7.82	-34.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020266183	0	40	-1.0	-44.69	338.72	7.05	-37.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020266183	1	40	-1.0	-44.69	338.66	7.02	-37.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020266184	0	43	-1.0	-43.39	356.75	7.39	-36.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020266184	1	43	-1.0	-43.41	356.81	7.40	-36.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020266185	0	40	-1.0	-45.00	330.71	6.64	-38.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020266185	1	40	-1.0	-45.02	330.76	6.65	-38.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOCCOC)CC1=CC=CC=C1	REAL300020266186	0	53	-1.0	-49.06	439.39	6.64	-42.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOCCOC)CC1=CC=CC=C1	REAL300020266186	1	53	-1.0	-49.05	439.45	6.66	-42.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020266187	0	48	-1.0	-48.15	389.60	9.19	-38.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020266187	1	48	-1.0	-48.15	389.54	9.17	-38.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020266188	0	45	-1.0	-48.70	362.74	8.85	-39.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020266188	1	45	-1.0	-48.72	362.69	8.84	-39.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSC	REAL300020266189	0	45	-1.0	-39.67	366.05	7.60	-32.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSC	REAL300020266189	1	45	-1.0	-39.65	366.11	7.61	-32.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSC	REAL300020266190	0	42	-1.0	-41.57	348.47	6.94	-34.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSC	REAL300020266190	1	42	-1.0	-41.59	348.53	6.97	-34.62
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CCSC	REAL300020266191	0	49	-1.0	-42.11	393.14	9.82	-32.29
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CCSC	REAL300020266191	1	49	-1.0	-42.06	393.19	9.81	-32.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020266192	0	38	-1.0	-42.02	327.60	5.25	-36.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020266192	1	38	-1.0	-42.04	327.66	5.27	-36.77
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NOC=C1	REAL300020266193	0	42	-1.0	-46.84	345.08	7.15	-39.69
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NOC=C1	REAL300020266193	1	42	-1.0	-46.79	345.09	7.15	-39.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020266194	0	49	-1.0	-41.96	400.82	9.67	-32.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020266194	1	49	-1.0	-41.95	400.87	9.68	-32.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020266195	0	46	-1.0	-44.20	378.57	8.88	-35.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020266195	1	46	-1.0	-44.21	378.62	8.90	-35.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC2=CC=CC=C2)CC1C	REAL300020266196	0	58	0.0	-66.08	444.70	9.80	-56.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020266196	1	58	0.0	-68.27	422.35	10.77	-57.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC2=CC=CC=C2)CC1C	REAL300020266197	0	55	0.0	-64.68	411.87	9.98	-54.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020266197	1	55	0.0	-65.71	404.27	9.72	-55.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC2=CC=CC=C2)CC1C	REAL300020266197	1	55	0.0	-64.73	411.93	9.99	-54.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020266197	1	55	0.0	-65.76	404.35	9.76	-56.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020266198	0	51	0.0	-63.22	374.09	7.88	-55.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020266198	1	51	0.0	-64.77	372.72	7.32	-57.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020266198	1	51	0.0	-63.23	374.15	7.89	-55.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020266198	1	51	0.0	-64.76	372.78	7.33	-57.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020266199	0	48	0.0	-61.68	336.14	7.23	-54.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020266199	1	48	0.0	-62.40	348.26	7.19	-55.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020266199	1	48	0.0	-61.69	336.19	7.24	-54.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020266199	1	48	0.0	-62.39	348.32	7.20	-55.19
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020266200	0	55	0.0	-71.18	390.16	9.73	-61.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020266200	1	55	0.0	-69.10	396.07	10.03	-59.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020266200	1	55	0.0	-71.15	390.19	9.72	-61.43
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020266200	1	55	0.0	-69.05	396.11	10.02	-59.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020266201	0	52	-1.0	-41.99	405.34	10.27	-31.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020266201	1	52	-1.0	-42.00	405.39	10.28	-31.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020266202	0	49	-1.0	-44.79	380.87	9.31	-35.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020266202	1	49	-1.0	-44.74	380.94	9.33	-35.41
CCN(CC1CCN(C2=CC=CC=N2)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266203	0	56	-1.0	-45.60	439.68	8.17	-37.43
CCN(CC1CCN(C2=CC=CC=N2)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266203	1	56	-1.0	-45.57	439.74	8.20	-37.37
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266204	0	49	-1.0	-39.89	377.34	8.51	-31.38
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266204	1	49	-1.0	-39.83	377.39	8.52	-31.31
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266205	0	46	-1.0	-43.45	364.24	7.64	-35.81
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266205	1	46	-1.0	-43.44	364.19	7.61	-35.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020266206	0	52	-1.0	-43.91	403.51	6.60	-37.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020266206	1	52	-1.0	-43.91	403.57	6.62	-37.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020266207	0	49	-1.0	-43.31	378.37	5.89	-37.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020266207	1	49	-1.0	-43.30	378.44	5.91	-37.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1C	REAL300020266208	0	57	-1.0	-41.27	440.13	8.46	-32.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1C	REAL300020266208	1	57	-1.0	-41.23	440.19	8.47	-32.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1C	REAL300020266209	0	54	-1.0	-43.57	417.46	7.18	-36.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1C	REAL300020266209	1	54	-1.0	-43.59	417.51	7.21	-36.38
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1(C)C	REAL300020266210	0	52	-1.0	-40.11	405.63	7.44	-32.67
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1(C)C	REAL300020266210	1	52	-1.0	-40.13	405.69	7.45	-32.68
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C1(C)C	REAL300020266211	0	49	-1.0	-45.85	377.75	6.92	-38.93
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C1(C)C	REAL300020266211	1	49	-1.0	-45.81	377.79	6.94	-38.87
CCOC1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1(C)C	REAL300020266212	0	56	-1.0	-42.68	435.14	9.66	-33.02
CCOC1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1(C)C	REAL300020266212	1	56	-1.0	-42.63	435.19	9.66	-32.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020266213	0	52	-1.0	-40.02	420.06	10.25	-29.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020266213	1	52	-1.0	-40.05	420.11	10.26	-29.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020266214	0	49	-1.0	-43.48	388.63	9.09	-34.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020266214	1	49	-1.0	-43.51	388.57	9.07	-34.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020266215	0	46	-1.0	-42.05	366.08	8.75	-33.30
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020266215	1	46	-1.0	-41.95	365.54	8.72	-33.23
CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC)C1CC(OCC)C1(C)C	REAL300020266216	0	58	-1.0	-40.93	443.35	8.07	-32.86
CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC)C1CC(OCC)C1(C)C	REAL300020266216	1	58	-1.0	-40.93	443.41	8.09	-32.84
CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC)C1CC(OCC)C1(C)C	REAL300020266217	0	55	-1.0	-49.38	408.46	6.18	-43.20
CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC)C1CC(OCC)C1(C)C	REAL300020266217	1	55	-1.0	-49.43	408.52	6.20	-43.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020266218	0	46	-1.0	-39.90	381.36	8.98	-30.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020266218	1	46	-1.0	-39.89	381.41	9.00	-30.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020266219	0	43	-1.0	-42.75	356.32	8.35	-34.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020266219	1	43	-1.0	-42.75	356.26	8.33	-34.42
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020266220	0	50	-1.0	-42.89	399.46	11.27	-31.62
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020266220	1	50	-1.0	-42.87	399.48	11.26	-31.61
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)S1	REAL300020266221	0	50	-1.0	-40.51	403.60	7.42	-33.09
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)S1	REAL300020266221	1	50	-1.0	-40.53	403.66	7.43	-33.10
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)S1	REAL300020266222	0	47	-1.0	-42.42	396.08	6.15	-36.27
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)S1	REAL300020266222	1	47	-1.0	-42.43	396.11	6.19	-36.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020266223	0	52	-1.0	-40.72	392.54	9.17	-31.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020266223	1	52	-1.0	-40.73	392.60	9.18	-31.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020266224	0	49	-1.0	-42.78	371.13	8.40	-34.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020266224	1	49	-1.0	-42.81	371.07	8.38	-34.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)N(C(=O)OC(C)(C)C)CC1C	REAL300020266225	0	56	-1.0	-45.15	427.52	6.76	-38.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)N(C(=O)OC(C)(C)C)CC1C	REAL300020266225	1	56	-1.0	-45.19	427.58	6.78	-38.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020266226	0	55	-1.0	-40.57	421.15	5.45	-35.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020266226	1	56	0.0	-63.67	412.96	7.69	-55.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020266226	1	55	-1.0	-40.57	421.21	5.46	-35.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020266227	0	52	-1.0	-46.65	389.88	4.80	-41.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020266227	1	53	0.0	-66.77	402.42	7.00	-59.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020266227	1	52	-1.0	-46.59	389.94	4.83	-41.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020266228	0	53	-1.0	-41.98	416.87	6.88	-35.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020266228	1	53	-1.0	-41.99	416.92	6.90	-35.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020266229	0	50	-1.0	-44.28	395.03	6.27	-38.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020266229	1	50	-1.0	-44.29	395.09	6.29	-38.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020266230	0	40	-1.0	-43.26	337.40	6.14	-37.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020266230	1	40	-1.0	-43.25	337.45	6.16	-37.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020266231	0	37	-1.0	-42.05	318.47	6.35	-35.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020266231	1	37	-1.0	-42.01	318.52	6.38	-35.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020266232	0	44	-1.0	-41.97	367.91	9.09	-32.88
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020266232	1	44	-1.0	-41.97	368.03	9.08	-32.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020266233	0	43	-1.0	-44.23	347.31	3.60	-40.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020266233	1	43	-1.0	-44.28	347.37	3.62	-40.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020266234	0	40	-1.0	-47.53	325.17	3.05	-44.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020266234	1	40	-1.0	-47.53	325.11	3.04	-44.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020266235	0	47	-1.0	-45.76	374.63	5.61	-40.15
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020266235	1	47	-1.0	-45.71	374.70	5.60	-40.11
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266236	0	52	-1.0	-41.72	422.47	6.63	-35.09
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266236	1	52	-1.0	-41.72	422.53	6.64	-35.08
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266237	0	49	-1.0	-44.49	401.36	5.95	-38.54
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266237	1	49	-1.0	-44.49	401.42	5.97	-38.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(O)C(F)(F)F)CC1	REAL300020266238	0	49	-1.0	-41.69	387.16	5.33	-36.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(O)C(F)(F)F)CC1	REAL300020266238	1	49	-1.0	-41.71	387.22	5.35	-36.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(O)C(F)(F)F)CC1	REAL300020266239	0	46	-1.0	-43.17	366.13	4.54	-38.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(O)C(F)(F)F)CC1	REAL300020266239	1	46	-1.0	-43.20	366.19	4.57	-38.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020266240	0	56	0.0	-68.23	417.46	6.31	-61.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020266240	1	56	0.0	-68.23	409.23	6.90	-61.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020266240	1	56	0.0	-68.21	417.52	6.33	-61.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020266240	1	56	0.0	-68.25	409.29	6.92	-61.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020266241	0	53	0.0	-70.37	378.97	5.32	-65.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020266241	1	53	0.0	-66.45	384.94	6.42	-60.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020266241	1	53	0.0	-70.33	379.02	5.33	-65.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020266241	1	53	0.0	-66.40	385.01	6.43	-59.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020266242	0	47	-1.0	-40.24	378.08	9.31	-30.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020266242	1	47	-1.0	-40.23	378.14	9.32	-30.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020266243	0	44	-1.0	-43.89	354.05	8.77	-35.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020266243	1	44	-1.0	-43.93	353.99	8.75	-35.18
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020266244	0	51	-1.0	-43.13	399.82	11.48	-31.65
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020266244	1	51	-1.0	-43.06	399.77	11.47	-31.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020266245	0	46	-1.0	-39.99	365.71	7.94	-32.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020266245	1	46	-1.0	-39.97	365.77	7.95	-32.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020266246	0	43	-1.0	-43.02	347.59	7.30	-35.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020266246	1	43	-1.0	-43.03	347.53	7.28	-35.75
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020266247	0	50	-1.0	-42.17	389.08	9.45	-32.72
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020266247	1	50	-1.0	-42.13	389.12	9.44	-32.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020266248	0	46	-1.0	-42.42	376.17	8.59	-33.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020266248	1	46	-1.0	-42.43	376.23	8.61	-33.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020266249	0	43	-1.0	-46.48	358.03	7.92	-38.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020266249	1	43	-1.0	-46.46	358.08	7.94	-38.52
CCOC1=CC=C(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CC2)C=C1	REAL300020266250	0	54	-1.0	-43.53	431.70	9.04	-34.49
CCOC1=CC=C(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020266250	1	54	-1.0	-43.53	431.76	9.05	-34.48
CCOC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)C=C1	REAL300020266251	0	51	-1.0	-43.90	412.86	9.25	-34.65
CCOC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020266251	1	51	-1.0	-43.88	412.91	9.28	-34.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020266252	0	55	-1.0	-42.56	419.09	9.56	-33.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020266252	1	55	-1.0	-42.58	419.15	9.58	-33.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020266253	0	52	-1.0	-45.16	397.73	8.78	-36.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020266253	1	52	-1.0	-45.09	397.79	8.80	-36.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C2=CC=CC=C2)C1	REAL300020266254	0	49	-1.0	-45.21	397.33	9.39	-35.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C2=CC=CC=C2)C1	REAL300020266254	1	49	-1.0	-45.26	397.39	9.40	-35.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C2=CC=CC=C2)C1	REAL300020266255	0	46	-1.0	-46.36	373.15	8.61	-37.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C2=CC=CC=C2)C1	REAL300020266255	1	46	-1.0	-46.31	373.21	8.63	-37.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020266256	0	40	-1.0	-40.73	346.13	7.90	-32.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020266256	1	40	-1.0	-40.74	346.19	7.92	-32.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020266257	0	37	-1.0	-43.10	330.46	7.07	-36.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020266257	1	37	-1.0	-43.11	330.52	7.10	-36.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020266258	0	40	-1.0	-40.27	351.34	8.07	-32.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020266258	1	40	-1.0	-40.30	351.39	8.09	-32.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020266259	0	37	-1.0	-41.27	329.91	7.31	-33.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020266259	1	37	-1.0	-41.32	329.97	7.33	-33.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020266260	0	49	-1.0	-41.49	400.35	10.22	-31.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020266260	1	49	-1.0	-41.51	400.41	10.23	-31.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020266261	0	46	-1.0	-44.89	378.55	9.60	-35.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020266261	1	46	-1.0	-44.91	378.60	9.61	-35.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(OC)C=C1OC)CC1CC1	REAL300020266262	0	54	-1.0	-45.96	430.94	7.70	-38.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(OC)C=C1OC)CC1CC1	REAL300020266262	1	54	-1.0	-45.99	431.00	7.71	-38.28
CCCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266263	0	48	-1.0	-41.82	396.92	8.55	-33.27
CCCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266263	1	48	-1.0	-41.80	396.98	8.57	-33.23
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266264	0	45	-1.0	-44.49	373.42	7.61	-36.88
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266264	1	45	-1.0	-44.49	373.48	7.63	-36.86
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266265	0	43	-1.0	-40.15	356.80	5.20	-34.95
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C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266266	0	47	-1.0	-42.54	386.89	6.90	-35.64
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266266	1	47	-1.0	-42.51	386.93	6.89	-35.62
CCCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020266267	0	54	-1.0	-40.54	404.43	8.38	-32.16
CCCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020266267	1	54	-1.0	-40.55	404.49	8.40	-32.15
CCCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020266268	0	51	-1.0	-42.50	382.92	7.60	-34.90
CCCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020266268	1	51	-1.0	-42.50	382.97	7.62	-34.88
CCCC1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020266269	0	58	-1.0	-42.64	426.86	11.03	-31.61
CCCC1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020266269	1	58	-1.0	-42.67	426.89	11.03	-31.64
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266270	0	47	-1.0	-41.76	354.49	6.84	-34.92
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266270	1	47	-1.0	-41.78	354.55	6.85	-34.93
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266271	0	51	-1.0	-43.53	391.17	8.96	-34.57
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266271	1	51	-1.0	-43.46	391.21	8.96	-34.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC(C)C	REAL300020266272	0	51	-1.0	-40.94	387.72	7.83	-33.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC(C)C	REAL300020266272	1	51	-1.0	-40.95	387.78	7.84	-33.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC(C)C	REAL300020266273	0	48	-1.0	-45.67	363.89	6.60	-39.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC(C)C	REAL300020266273	1	48	-1.0	-45.67	363.97	6.62	-39.05
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CCC(C)C	REAL300020266274	0	55	-1.0	-42.16	419.82	9.88	-32.28
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CCC(C)C	REAL300020266274	1	55	-1.0	-42.13	419.86	9.87	-32.26
CCC(CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC)C1=CC=CC=C1	REAL300020266275	0	54	-1.0	-42.73	424.68	10.87	-31.86
CCC(CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC)C1=CC=CC=C1	REAL300020266275	1	54	-1.0	-42.74	424.73	10.89	-31.85
CCC(CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC)C1=CC=CC=C1	REAL300020266276	0	51	-1.0	-48.20	401.49	10.07	-38.13
CCC(CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC)C1=CC=CC=C1	REAL300020266276	1	51	-1.0	-48.22	401.54	10.09	-38.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020266277	0	49	-1.0	-49.53	387.67	5.94	-43.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020266277	1	49	-1.0	-49.54	387.72	5.96	-43.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020266278	0	46	-1.0	-56.78	366.13	5.45	-51.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020266278	1	46	-1.0	-56.77	366.07	5.42	-51.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(N2C=NC=N2)C=C1)C1CC1	REAL300020266279	0	49	-1.0	-47.08	413.23	11.17	-35.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(N2C=NC=N2)C=C1)C1CC1	REAL300020266279	1	49	-1.0	-47.07	413.18	11.14	-35.93
CCN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266280	0	45	-1.0	-39.73	400.01	9.05	-30.68
CCN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266280	1	45	-1.0	-39.67	400.06	9.07	-30.60
CCN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266281	0	42	-1.0	-44.35	370.45	7.78	-36.57
CCN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266281	1	42	-1.0	-44.34	370.51	7.81	-36.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=C(OC)C=C2)CC1	REAL300020266282	0	55	-1.0	-41.12	421.80	6.82	-34.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=C(OC)C=C2)CC1	REAL300020266282	1	55	-1.0	-41.12	421.85	6.83	-34.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=C(OC)C=C2)CC1	REAL300020266283	0	52	-1.0	-43.20	409.91	6.70	-36.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=C(OC)C=C2)CC1	REAL300020266283	1	52	-1.0	-43.21	409.97	6.73	-36.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020266284	0	51	-1.0	-41.41	395.49	8.09	-33.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020266284	1	51	-1.0	-41.43	395.54	8.11	-33.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020266285	0	48	-1.0	-42.89	362.70	7.49	-35.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020266285	1	48	-1.0	-42.84	362.76	7.51	-35.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)NCCOC)CCC1C	REAL300020266286	0	56	-1.0	-45.74	444.37	4.56	-41.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)NCCOC)CCC1C	REAL300020266286	1	56	-1.0	-45.74	444.42	4.57	-41.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)NCCOC)CCC1C	REAL300020266287	0	53	-1.0	-49.91	418.18	3.58	-46.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)NCCOC)CCC1C	REAL300020266287	1	53	-1.0	-49.93	418.23	3.60	-46.33
CCCCNC(=O)C1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020266288	0	58	-1.0	-45.43	453.76	7.01	-38.42
CCCCNC(=O)C1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020266288	1	58	-1.0	-45.44	453.82	7.02	-38.42
CCCCNC(=O)C1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020266289	0	55	-1.0	-50.17	427.59	6.03	-44.14
CCCCNC(=O)C1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020266289	1	55	-1.0	-50.14	427.65	6.05	-44.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020266290	0	47	-1.0	-42.54	391.88	4.90	-37.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020266290	1	47	-1.0	-42.58	391.94	4.91	-37.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020266291	0	44	-1.0	-45.03	366.37	4.19	-40.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020266291	1	44	-1.0	-45.01	366.32	4.17	-40.84
CCN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266292	0	46	-1.0	-42.22	353.50	4.91	-37.31
CCN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266292	1	46	-1.0	-42.17	353.56	4.92	-37.25
CCN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266293	0	43	-1.0	-44.27	325.67	4.32	-39.95
CCN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266293	1	43	-1.0	-44.22	325.73	4.33	-39.89
CCN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266294	0	50	-1.0	-43.94	388.28	7.25	-36.69
CCN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266294	1	50	-1.0	-43.93	388.29	7.24	-36.69
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020266295	0	44	-1.0	-43.12	338.56	7.91	-35.21
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020266295	1	44	-1.0	-43.08	338.58	7.90	-35.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020266296	0	46	-1.0	-42.50	364.35	8.76	-33.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020266296	1	46	-1.0	-42.51	364.41	8.77	-33.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020266297	0	43	-1.0	-43.28	350.81	8.01	-35.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020266297	1	43	-1.0	-43.29	350.75	7.99	-35.30
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020266298	0	50	-1.0	-44.33	398.57	11.00	-33.33
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020266298	1	50	-1.0	-44.39	398.59	11.00	-33.39
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266299	0	46	-1.0	-44.19	385.21	8.65	-35.54
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266299	1	46	-1.0	-44.24	385.27	8.67	-35.57
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266300	0	43	-1.0	-41.34	364.84	8.69	-32.65
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266300	1	43	-1.0	-41.34	364.79	8.67	-32.67
CCCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266301	0	54	-1.0	-40.71	413.25	9.89	-30.82
CCCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266301	1	54	-1.0	-40.73	413.31	9.91	-30.82
CCCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266302	0	51	-1.0	-44.11	384.21	8.18	-35.93
CCCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266302	1	51	-1.0	-44.10	384.27	8.21	-35.89
CCCN(CC1CCCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266303	0	58	-1.0	-42.61	439.57	11.94	-30.67
CCCN(CC1CCCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266303	1	58	-1.0	-42.52	439.60	11.93	-30.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020266304	0	53	-1.0	-41.20	423.25	8.26	-32.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020266304	1	53	-1.0	-41.17	423.31	8.28	-32.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020266305	0	50	-1.0	-47.64	393.16	7.17	-40.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020266305	1	50	-1.0	-47.67	393.11	7.15	-40.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020266306	0	50	-1.0	-43.40	405.83	6.92	-36.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020266306	1	50	-1.0	-43.45	405.89	6.93	-36.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020266307	0	47	-1.0	-47.53	375.65	5.72	-41.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020266307	1	47	-1.0	-47.54	375.72	5.74	-41.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020266308	0	50	-1.0	-43.38	395.14	9.70	-33.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020266308	1	50	-1.0	-43.37	395.19	9.72	-33.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020266309	0	47	-1.0	-46.25	378.40	9.04	-37.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020266309	1	47	-1.0	-46.23	378.48	9.06	-37.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020266310	0	49	-1.0	-41.15	376.69	9.01	-32.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020266310	1	49	-1.0	-41.14	376.75	9.02	-32.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020266311	0	46	-1.0	-42.19	354.58	8.47	-33.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020266311	1	46	-1.0	-42.18	354.64	8.49	-33.69
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266312	0	45	-1.0	-43.20	371.54	5.95	-37.25
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266312	1	45	-1.0	-43.23	371.49	5.93	-37.30
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266313	0	42	-1.0	-45.42	353.02	5.36	-40.06
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266313	1	42	-1.0	-45.34	352.97	5.34	-40.00
CCN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266314	0	49	-1.0	-44.80	398.59	7.81	-36.99
CCN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266314	1	49	-1.0	-44.87	398.57	7.82	-37.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020266315	0	57	0.0	-65.15	428.12	6.73	-58.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020266315	1	57	0.0	-65.16	428.17	6.75	-58.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020266316	0	54	0.0	-66.35	404.19	5.73	-60.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020266316	1	54	0.0	-66.36	404.25	5.74	-60.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020266317	0	40	-1.0	-41.29	325.84	7.29	-34.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020266317	1	40	-1.0	-41.32	325.89	7.30	-34.02
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020266318	0	44	-1.0	-42.81	359.02	9.39	-33.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020266318	1	44	-1.0	-42.79	359.06	9.38	-33.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(F)C=C1Cl	REAL300020266319	0	46	-1.0	-43.39	392.97	7.18	-36.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(F)C=C1Cl	REAL300020266319	1	46	-1.0	-43.40	393.01	7.20	-36.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020266320	0	43	-1.0	-39.31	361.85	7.95	-31.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020266320	1	43	-1.0	-39.36	361.91	7.97	-31.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020266321	0	40	-1.0	-41.38	340.44	7.19	-34.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020266321	1	40	-1.0	-41.35	340.39	7.17	-34.18
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020266322	0	47	-1.0	-40.99	390.20	9.98	-31.01
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020266322	1	47	-1.0	-40.95	390.24	9.97	-30.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020266323	0	43	-1.0	-42.89	360.50	7.91	-34.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020266323	1	43	-1.0	-42.95	360.56	7.92	-35.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020266324	0	40	-1.0	-43.53	340.63	8.05	-35.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020266324	1	40	-1.0	-43.54	340.58	8.03	-35.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CCOC1=CC=C(F)C=C1	REAL300020266325	0	50	-1.0	-47.00	408.05	5.96	-41.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CCOC1=CC=C(F)C=C1	REAL300020266325	1	50	-1.0	-47.01	408.11	5.98	-41.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC2CCCC2)CC1	REAL300020266326	0	56	-1.0	-43.66	409.86	8.57	-35.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC2CCCC2)CC1	REAL300020266326	1	56	-1.0	-43.68	409.91	8.59	-35.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020266327	0	46	-1.0	-44.45	378.69	4.78	-39.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020266327	1	46	-1.0	-44.42	378.75	4.80	-39.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020266328	0	43	-1.0	-44.09	356.75	4.40	-39.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020266328	1	43	-1.0	-44.06	356.69	4.38	-39.68
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020266329	0	50	-1.0	-44.86	403.90	7.63	-37.23
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020266329	1	50	-1.0	-44.88	403.91	7.63	-37.25
CCCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020266330	0	52	-1.0	-39.43	400.56	7.46	-31.97
CCCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020266330	1	52	-1.0	-39.45	400.62	7.47	-31.98
CCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020266331	0	49	-1.0	-41.44	379.45	6.46	-34.98
CCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020266331	1	49	-1.0	-41.43	379.50	6.48	-34.95
CCCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020266332	0	56	-1.0	-41.41	432.51	9.57	-31.84
CCCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020266332	1	56	-1.0	-41.35	432.56	9.56	-31.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020266333	0	58	0.0	-60.94	443.18	9.78	-51.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020266333	1	58	0.0	-66.27	429.77	10.11	-56.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020266333	1	58	0.0	-60.94	443.24	9.80	-51.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020266333	1	58	0.0	-66.28	429.82	10.14	-56.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020266334	0	46	-1.0	-45.88	393.78	2.34	-43.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020266334	1	46	-1.0	-45.84	393.84	2.36	-43.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020266335	0	43	-1.0	-47.49	354.28	1.29	-46.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020266335	1	43	-1.0	-47.53	354.33	1.32	-46.21
CCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266336	0	48	-1.0	-43.23	374.85	5.23	-38.00
CCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266336	1	48	-1.0	-43.23	374.91	5.24	-37.99
CCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266337	0	45	-1.0	-44.69	354.62	4.77	-39.92
CCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266337	1	45	-1.0	-44.68	354.68	4.79	-39.89
CCCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266338	0	52	-1.0	-43.74	399.07	7.43	-36.31
CCCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266338	1	52	-1.0	-43.71	399.10	7.42	-36.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020266339	0	50	-1.0	-48.05	397.73	8.16	-39.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020266339	1	50	-1.0	-48.01	397.79	8.18	-39.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020266340	0	55	0.0	-69.71	428.52	9.36	-60.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020266340	1	55	0.0	-69.84	424.14	9.20	-60.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020266340	1	54	-1.0	-41.04	417.66	6.54	-34.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020266340	1	54	-1.0	-41.05	417.72	6.55	-34.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020266341	0	52	0.0	-68.20	407.03	8.59	-59.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020266341	1	52	0.0	-68.13	407.44	8.59	-59.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020266341	1	51	-1.0	-44.26	403.94	6.23	-38.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020266341	1	51	-1.0	-44.20	403.99	6.26	-37.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020266342	0	45	-1.0	-45.66	371.40	7.95	-37.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020266342	1	45	-1.0	-45.68	371.46	7.97	-37.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020266343	0	42	-1.0	-48.19	350.22	7.20	-40.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020266343	1	42	-1.0	-48.20	350.16	7.18	-41.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020266344	0	43	-1.0	-42.96	349.43	4.24	-38.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020266344	1	43	-1.0	-42.95	349.49	4.26	-38.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020266345	0	40	-1.0	-46.11	318.20	3.17	-42.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020266345	1	40	-1.0	-46.10	318.15	3.15	-42.95
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020266346	0	47	-1.0	-45.22	378.33	6.18	-39.04
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020266346	1	47	-1.0	-45.16	378.37	6.17	-38.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCOCC1	REAL300020266347	0	56	-1.0	-41.58	437.32	8.32	-33.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCOCC1	REAL300020266347	1	56	-1.0	-41.61	437.38	8.34	-33.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCOCC1	REAL300020266348	0	53	-1.0	-42.43	418.45	8.83	-33.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCOCC1	REAL300020266348	1	53	-1.0	-42.37	418.52	8.86	-33.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C2OCOC2=C1	REAL300020266349	0	49	-1.0	-46.66	394.05	5.12	-41.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C2OCOC2=C1	REAL300020266349	1	49	-1.0	-46.68	394.11	5.14	-41.54
CCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266350	0	46	-1.0	-42.75	352.63	8.19	-34.56
CCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266350	1	46	-1.0	-42.74	352.65	8.17	-34.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC(OC)=CC=C1OC	REAL300020266351	0	51	-1.0	-50.95	411.94	3.36	-47.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC(OC)=CC=C1OC	REAL300020266351	1	51	-1.0	-50.92	412.00	3.37	-47.55
CCSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020266352	0	49	-1.0	-40.88	388.00	8.65	-32.23
CCSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020266352	1	49	-1.0	-40.89	388.06	8.67	-32.22
CCSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020266353	0	46	-1.0	-42.46	370.28	7.99	-34.47
CCSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020266353	1	46	-1.0	-42.47	370.33	8.01	-34.46
CCSC1CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020266354	0	53	-1.0	-43.61	411.13	10.87	-32.74
CCSC1CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020266354	1	53	-1.0	-43.53	411.17	10.86	-32.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020266355	0	55	0.0	-70.10	411.00	10.21	-59.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020266355	1	55	0.0	-69.55	430.50	9.38	-60.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020266355	1	54	-1.0	-41.49	428.17	7.10	-34.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020266355	1	54	-1.0	-41.48	428.23	7.12	-34.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020266356	0	52	0.0	-69.61	388.58	9.35	-60.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020266356	1	52	0.0	-68.15	407.43	8.59	-59.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020266356	1	51	-1.0	-43.87	402.65	5.93	-37.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020266356	1	51	-1.0	-43.87	402.70	5.96	-37.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1OC	REAL300020266357	0	51	-1.0	-46.12	411.66	3.18	-42.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1OC	REAL300020266357	1	51	-1.0	-46.15	411.71	3.19	-42.96
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266358	0	52	-1.0	-39.12	408.61	9.65	-29.47
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266358	1	52	-1.0	-39.14	408.67	9.66	-29.48
C=CCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266359	0	49	-1.0	-44.51	377.40	8.17	-36.34
C=CCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266359	1	49	-1.0	-44.53	377.46	8.20	-36.33
C=CCN(CC1CCCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266360	0	56	-1.0	-42.46	431.09	11.75	-30.71
C=CCN(CC1CCCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266360	1	56	-1.0	-42.42	431.11	11.74	-30.68
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266361	0	46	-1.0	-42.47	363.41	8.50	-33.97
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266361	1	46	-1.0	-42.43	363.45	8.49	-33.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020266362	0	46	-1.0	-42.56	376.19	4.21	-38.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020266362	1	46	-1.0	-42.60	376.24	4.23	-38.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020266363	0	43	-1.0	-45.23	350.92	3.47	-41.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020266363	1	43	-1.0	-45.22	350.99	3.47	-41.75
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020266364	0	50	-1.0	-44.24	404.61	6.20	-38.04
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020266364	1	50	-1.0	-44.24	404.68	6.19	-38.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020266365	0	43	-1.0	-42.93	349.52	7.36	-35.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020266365	1	43	-1.0	-42.92	349.58	7.37	-35.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020266366	0	40	-1.0	-45.40	328.40	6.61	-38.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020266366	1	40	-1.0	-45.36	328.34	6.58	-38.78
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020266367	0	47	-1.0	-44.45	378.35	9.64	-34.81
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020266367	1	47	-1.0	-44.49	378.38	9.64	-34.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020266368	0	49	-1.0	-42.21	397.51	9.48	-32.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020266368	1	49	-1.0	-42.24	397.57	9.49	-32.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020266369	0	46	-1.0	-44.37	381.13	8.87	-35.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020266369	1	46	-1.0	-44.37	381.18	8.89	-35.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020266370	0	44	-1.0	-49.79	362.25	3.51	-46.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020266370	1	44	-1.0	-49.75	362.31	3.52	-46.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020266371	0	41	-1.0	-52.29	344.93	2.85	-49.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020266371	1	41	-1.0	-52.31	344.99	2.88	-49.43
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020266372	0	48	-1.0	-54.03	389.51	5.72	-48.31
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020266372	1	48	-1.0	-54.02	389.55	5.71	-48.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020266373	0	46	-1.0	-41.11	355.65	8.57	-32.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020266373	1	46	-1.0	-41.09	355.71	8.58	-32.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020266374	0	43	-1.0	-43.77	330.14	7.86	-35.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020266374	1	43	-1.0	-43.78	330.08	7.85	-35.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020266375	0	50	-1.0	-42.98	384.01	10.55	-32.43
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020266375	1	50	-1.0	-42.95	384.03	10.54	-32.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020266376	0	49	-1.0	-43.54	390.88	5.28	-38.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020266376	1	49	-1.0	-43.54	390.93	5.29	-38.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020266377	0	46	-1.0	-45.99	370.01	4.75	-41.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020266377	1	46	-1.0	-46.04	370.07	4.77	-41.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020266378	0	40	-1.0	-39.63	330.42	5.36	-34.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020266378	1	40	-1.0	-39.61	330.47	5.38	-34.23
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1C	REAL300020266379	0	44	-1.0	-41.68	362.40	7.50	-34.18
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1C	REAL300020266379	1	44	-1.0	-41.67	362.44	7.49	-34.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020266380	0	47	-1.0	-43.43	377.14	6.62	-36.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020266380	1	47	-1.0	-43.44	377.20	6.63	-36.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020266381	0	44	-1.0	-46.53	343.99	4.46	-42.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020266381	1	44	-1.0	-46.50	343.91	4.44	-42.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020266382	0	47	-1.0	-42.30	384.49	5.80	-36.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020266382	1	47	-1.0	-42.30	384.43	5.78	-36.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020266383	0	44	-1.0	-45.36	358.88	5.08	-40.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020266383	1	44	-1.0	-45.37	358.83	5.06	-40.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020266384	0	46	-1.0	-40.76	359.51	7.47	-33.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020266384	1	46	-1.0	-40.74	359.56	7.48	-33.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020266385	0	43	-1.0	-44.44	337.82	6.68	-37.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020266385	1	43	-1.0	-44.47	337.76	6.65	-37.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020266386	0	50	-1.0	-42.28	387.58	9.44	-32.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020266386	1	50	-1.0	-42.26	387.62	9.43	-32.83
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266387	0	47	-1.0	-43.75	402.18	8.99	-34.76
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266387	1	47	-1.0	-43.76	402.23	9.00	-34.76
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266388	0	44	-1.0	-44.40	373.88	7.95	-36.45
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266388	1	44	-1.0	-44.42	373.83	7.92	-36.50
C#CCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266389	0	41	-1.0	-42.05	342.32	8.27	-33.78
C#CCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266389	1	41	-1.0	-42.01	342.35	8.26	-33.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2CC1	REAL300020266390	0	54	-1.0	-44.77	410.91	7.59	-37.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2CC1	REAL300020266390	1	54	-1.0	-44.78	410.97	7.61	-37.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2CC1	REAL300020266391	0	51	-1.0	-46.92	388.88	6.99	-39.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2CC1	REAL300020266391	1	51	-1.0	-46.91	388.94	6.99	-39.92
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266392	0	49	-1.0	-40.98	406.97	9.79	-31.19
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266392	1	49	-1.0	-41.01	407.03	9.80	-31.21
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266393	0	46	-1.0	-46.05	376.34	8.44	-37.61
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266393	1	46	-1.0	-46.04	376.28	8.41	-37.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCOC)CC1=CC=CC=C1	REAL300020266394	0	55	-1.0	-43.23	446.45	8.98	-34.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCOC)CC1=CC=CC=C1	REAL300020266394	1	55	-1.0	-43.18	446.51	8.99	-34.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCOC)CC1=CC=CC=C1	REAL300020266395	0	52	-1.0	-48.44	427.22	8.24	-40.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCOC)CC1=CC=CC=C1	REAL300020266395	1	52	-1.0	-48.43	427.27	8.27	-40.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020266396	0	52	-1.0	-40.11	413.37	9.85	-30.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020266396	1	52	-1.0	-40.11	413.43	9.86	-30.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020266397	0	49	-1.0	-45.03	386.83	8.84	-36.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020266397	1	49	-1.0	-45.04	386.79	8.82	-36.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(OC)=C1)CC1CCCO1	REAL300020266398	0	54	-1.0	-46.44	426.04	7.11	-39.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(OC)=C1)CC1CCCO1	REAL300020266398	1	54	-1.0	-46.49	426.09	7.12	-39.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=C(C)S1	REAL300020266399	0	49	-1.0	-41.80	419.21	9.34	-32.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=C(C)S1	REAL300020266399	1	49	-1.0	-41.80	419.27	9.35	-32.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=C(C)S1	REAL300020266400	0	46	-1.0	-45.14	393.73	8.33	-36.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=C(C)S1	REAL300020266400	1	46	-1.0	-45.12	393.68	8.29	-36.83
CCOCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266401	0	45	-1.0	-40.56	362.12	5.76	-34.80
CCOCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266401	1	45	-1.0	-40.55	362.18	5.77	-34.78
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266402	0	49	-1.0	-42.40	379.15	7.20	-35.20
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266402	1	49	-1.0	-42.40	379.19	7.19	-35.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020266403	0	47	-1.0	-44.27	372.68	6.59	-37.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020266403	1	47	-1.0	-44.29	372.74	6.61	-37.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020266404	0	44	-1.0	-47.05	351.58	5.84	-41.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020266404	1	44	-1.0	-47.05	351.53	5.82	-41.23
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020266405	0	44	-1.0	-40.88	378.66	8.75	-32.13
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020266405	1	44	-1.0	-40.87	378.72	8.77	-32.10
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020266406	0	41	-1.0	-43.03	355.18	7.81	-35.22
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020266406	1	41	-1.0	-43.02	355.12	7.78	-35.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCC1=CC=CC=C1)CCOC	REAL300020266407	0	55	-1.0	-41.37	435.96	8.89	-32.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCC1=CC=CC=C1)CCOC	REAL300020266407	1	55	-1.0	-41.41	436.02	8.91	-32.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCC1=CC=CC=C1)CCOC	REAL300020266408	0	52	-1.0	-45.46	414.53	7.79	-37.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCC1=CC=CC=C1)CCOC	REAL300020266408	1	52	-1.0	-45.47	414.58	7.82	-37.65
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC)C1CCCC1	REAL300020266409	0	45	-1.0	-40.73	346.27	6.69	-34.04
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC)C1CCCC1	REAL300020266409	1	45	-1.0	-40.76	346.32	6.71	-34.05
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC)C1CCCC1	REAL300020266410	0	49	-1.0	-43.37	372.43	8.23	-35.14
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC)C1CCCC1	REAL300020266410	1	49	-1.0	-43.33	372.46	8.21	-35.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC3=CC=CC=C32)CC1	REAL300020266411	0	50	-1.0	-46.75	398.33	11.08	-35.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC3=CC=CC=C32)CC1	REAL300020266411	1	50	-1.0	-46.75	398.39	11.11	-35.64
CCOC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CC2=C1	REAL300020266412	0	50	-1.0	-41.96	405.35	8.48	-33.48
CCOC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2=C1	REAL300020266412	1	50	-1.0	-41.99	405.41	8.50	-33.49
CCOC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2=C1	REAL300020266413	0	47	-1.0	-47.01	373.44	6.77	-40.24
CCOC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2=C1	REAL300020266413	1	47	-1.0	-47.01	373.38	6.74	-40.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)CC1CCCO1	REAL300020266414	0	50	-1.0	-42.12	393.64	7.47	-34.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)CC1CCCO1	REAL300020266414	1	50	-1.0	-42.14	393.70	7.50	-34.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCOC)C1CCS(=O)(=O)C1	REAL300020266415	0	52	-1.0	-49.14	412.26	2.19	-46.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCOC)C1CCS(=O)(=O)C1	REAL300020266415	1	52	-1.0	-49.12	412.32	2.20	-46.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCOC)C1CCS(=O)(=O)C1	REAL300020266416	0	49	-1.0	-52.92	388.69	2.55	-50.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCOC)C1CCS(=O)(=O)C1	REAL300020266416	1	49	-1.0	-52.94	388.75	2.58	-50.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020266417	0	45	-1.0	-41.20	368.06	4.18	-37.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020266417	1	45	-1.0	-41.18	368.11	4.19	-36.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020266418	0	42	-1.0	-44.38	350.61	3.51	-40.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020266418	1	42	-1.0	-44.40	350.56	3.49	-40.91
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020266419	0	49	-1.0	-43.02	400.29	6.29	-36.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020266419	1	49	-1.0	-43.02	400.33	6.28	-36.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)CC1CCCO1	REAL300020266420	0	50	-1.0	-44.12	406.91	7.08	-37.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)CC1CCCO1	REAL300020266420	1	50	-1.0	-44.10	406.97	7.10	-37.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)CC1CCCO1	REAL300020266421	0	47	-1.0	-45.73	388.22	7.22	-38.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)CC1CCCO1	REAL300020266421	1	47	-1.0	-45.74	388.29	7.23	-38.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020266422	0	50	-1.0	-40.67	414.84	8.42	-32.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020266422	1	50	-1.0	-40.69	414.90	8.44	-32.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020266423	0	47	-1.0	-42.82	389.68	7.56	-35.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020266423	1	47	-1.0	-42.81	389.62	7.54	-35.27
CCOC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC)C=C1	REAL300020266424	0	53	-1.0	-42.64	406.42	8.07	-34.57
CCOC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC)C=C1	REAL300020266424	1	53	-1.0	-42.64	406.47	8.08	-34.56
CCOC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC)C=C1	REAL300020266425	0	50	-1.0	-43.91	389.79	7.42	-36.49
CCOC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC)C=C1	REAL300020266425	1	50	-1.0	-43.88	389.85	7.44	-36.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C(C)C)C=C1)C1CC1	REAL300020266426	0	55	-1.0	-39.67	433.25	10.69	-28.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C(C)C)C=C1)C1CC1	REAL300020266426	1	55	-1.0	-39.67	433.31	10.71	-28.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C(C)C)C=C1)C1CC1	REAL300020266427	0	52	-1.0	-42.33	420.35	10.17	-32.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C(C)C)C=C1)C1CC1	REAL300020266427	1	52	-1.0	-42.29	420.41	10.19	-32.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020266428	0	46	-1.0	-39.66	388.03	9.10	-30.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020266428	1	46	-1.0	-39.74	388.09	9.11	-30.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020266429	0	43	-1.0	-41.40	366.59	8.33	-33.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020266429	1	43	-1.0	-41.45	366.53	8.30	-33.15
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1OC	REAL300020266430	0	54	-1.0	-45.65	427.08	8.37	-37.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1OC	REAL300020266430	1	54	-1.0	-45.64	427.14	8.39	-37.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1OC	REAL300020266431	0	51	-1.0	-48.33	409.41	7.44	-40.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1OC	REAL300020266431	1	51	-1.0	-48.37	409.47	7.46	-40.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(OC)C=CC(OC)=C2C(O)C1	REAL300020266432	0	49	-1.0	-50.13	388.76	2.99	-47.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(OC)C=CC(OC)=C2C(O)C1	REAL300020266432	1	49	-1.0	-50.13	388.81	3.01	-47.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020266433	0	49	-1.0	-42.69	391.17	4.30	-38.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020266433	1	49	-1.0	-42.72	391.23	4.31	-38.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020266434	0	46	-1.0	-43.89	373.40	3.63	-40.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020266434	1	46	-1.0	-43.93	373.46	3.66	-40.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CN3C=CC=CC3=N2)CC1	REAL300020266435	0	51	-1.0	-51.55	415.86	7.01	-44.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CN3C=CC=CC3=N2)CC1	REAL300020266435	1	51	-1.0	-51.60	415.91	7.04	-44.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020266436	0	45	-1.0	-39.76	375.76	8.08	-31.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020266436	1	45	-1.0	-39.75	375.82	8.10	-31.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020266437	0	42	-1.0	-41.86	354.39	7.29	-34.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020266437	1	42	-1.0	-41.86	354.33	7.27	-34.59
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020266438	0	49	-1.0	-41.97	391.32	10.92	-31.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020266438	1	49	-1.0	-41.99	391.37	10.90	-31.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020266439	0	46	-1.0	-46.29	362.23	6.19	-40.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020266439	1	46	-1.0	-46.33	362.28	6.21	-40.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020266440	0	43	-1.0	-44.93	326.58	5.16	-39.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020266440	1	43	-1.0	-44.89	326.63	5.18	-39.71
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020266441	0	50	-1.0	-49.55	389.36	8.53	-41.02
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020266441	1	50	-1.0	-49.52	389.38	8.52	-41.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020266442	0	53	0.0	-79.07	417.56	9.93	-69.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020266442	1	53	0.0	-80.31	419.03	10.24	-70.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020266442	1	53	0.0	-79.06	417.61	9.95	-69.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=C(C#N)C=C2)CC1	REAL300020266442	1	53	0.0	-80.33	419.08	10.26	-70.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300020266443	0	55	0.0	-77.74	410.89	9.40	-68.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300020266443	1	55	0.0	-76.06	426.08	10.38	-65.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(CC2=CC=C(F)C=C2)CC1	REAL300020266443	1	54	-1.0	-43.19	425.76	8.44	-34.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(CC2=CC=C(F)C=C2)CC1	REAL300020266443	1	54	-1.0	-43.21	425.82	8.45	-34.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300020266444	0	52	0.0	-67.98	388.49	9.32	-58.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300020266444	1	52	0.0	-74.50	396.10	9.96	-64.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC2=CC=C(F)C=C2)CC1	REAL300020266444	1	51	-1.0	-44.45	403.23	6.98	-37.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC2=CC=C(F)C=C2)CC1	REAL300020266444	1	51	-1.0	-44.48	403.29	7.00	-37.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020266445	0	46	-1.0	-42.56	362.59	9.32	-33.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020266445	1	46	-1.0	-42.53	362.64	9.33	-33.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020266446	0	43	-1.0	-45.68	338.69	8.01	-37.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020266446	1	43	-1.0	-45.65	338.63	7.98	-37.67
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020266447	0	50	-1.0	-44.14	399.18	11.33	-32.81
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020266447	1	50	-1.0	-44.05	399.22	11.32	-32.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020266448	0	50	-1.0	-45.43	395.74	8.72	-36.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020266448	1	50	-1.0	-45.40	395.79	8.73	-36.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020266449	0	47	-1.0	-45.76	380.81	7.90	-37.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020266449	1	47	-1.0	-45.73	380.75	7.88	-37.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020266450	0	40	-1.0	-42.38	334.25	6.53	-35.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020266450	1	40	-1.0	-42.38	334.31	6.55	-35.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020266451	0	37	-1.0	-44.52	312.87	5.77	-38.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020266451	1	37	-1.0	-44.48	312.81	5.73	-38.75
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020266452	0	44	-1.0	-41.32	372.64	9.58	-31.74
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020266452	1	44	-1.0	-41.32	372.69	9.57	-31.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C(OC)=C1	REAL300020266453	0	54	-1.0	-45.30	411.99	6.94	-38.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C(OC)=C1	REAL300020266453	1	54	-1.0	-45.35	412.04	6.96	-38.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C(OC)=C1	REAL300020266454	0	51	-1.0	-46.37	409.77	7.78	-38.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C(OC)=C1	REAL300020266454	1	51	-1.0	-46.34	409.83	7.79	-38.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020266455	0	45	-1.0	-40.50	382.13	8.12	-32.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020266455	1	45	-1.0	-40.46	382.18	8.14	-32.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020266456	0	42	-1.0	-42.54	356.78	7.37	-35.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020266456	1	42	-1.0	-42.53	356.84	7.39	-35.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020266457	0	49	-1.0	-41.39	383.64	8.42	-32.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020266457	1	49	-1.0	-41.36	383.70	8.43	-32.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020266458	0	46	-1.0	-46.00	360.89	7.64	-38.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020266458	1	46	-1.0	-45.98	360.84	7.62	-38.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020266459	0	47	-1.0	-45.26	377.27	3.45	-41.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020266459	1	47	-1.0	-45.30	377.33	3.46	-41.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020266460	0	44	-1.0	-51.64	364.46	2.61	-49.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020266460	1	44	-1.0	-51.61	364.52	2.64	-48.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020266461	0	57	-1.0	-41.41	420.13	6.39	-35.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020266461	1	57	-1.0	-41.38	420.19	6.40	-34.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020266461	1	58	0.0	-65.64	417.15	8.02	-57.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020266462	0	54	-1.0	-42.31	407.24	5.65	-36.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020266462	1	54	-1.0	-42.35	407.29	5.67	-36.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020266462	1	55	0.0	-66.06	399.86	7.35	-58.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NC(COC)=NO2)CC1	REAL300020266463	0	50	-1.0	-48.78	412.94	1.20	-47.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NC(COC)=NO2)CC1	REAL300020266463	1	50	-1.0	-48.81	413.00	1.22	-47.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020266464	0	43	-1.0	-40.09	349.27	7.35	-32.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020266464	1	43	-1.0	-40.11	349.33	7.36	-32.75
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020266465	0	47	-1.0	-42.46	374.00	9.57	-32.89
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020266465	1	47	-1.0	-42.42	374.05	9.57	-32.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020266466	0	47	-1.0	-42.34	361.61	5.80	-36.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020266466	1	47	-1.0	-42.39	361.66	5.81	-36.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020266467	0	44	-1.0	-45.20	339.51	5.26	-39.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020266467	1	44	-1.0	-45.20	339.57	5.28	-39.92
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020266468	0	51	-1.0	-43.84	393.90	8.05	-35.79
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020266468	1	51	-1.0	-43.80	393.94	8.04	-35.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020266469	0	52	-1.0	-42.24	419.92	6.87	-35.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020266469	1	52	-1.0	-42.24	419.98	6.89	-35.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020266470	0	49	-1.0	-45.05	398.08	6.25	-38.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020266470	1	49	-1.0	-45.07	398.14	6.28	-38.79
CCN(CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1)CC(F)(F)F	REAL300020266471	0	50	-1.0	-43.36	391.83	5.61	-37.75
CCN(CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1)CC(F)(F)F	REAL300020266471	1	50	-1.0	-43.37	391.89	5.62	-37.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=NC(C(N)=O)=C2)CC1	REAL300020266472	0	50	-1.0	-49.94	409.35	3.03	-46.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=NC(C(N)=O)=C2)CC1	REAL300020266472	1	50	-1.0	-49.97	409.29	3.02	-46.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CC)C1	REAL300020266473	0	45	-1.0	-41.07	343.88	6.98	-34.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CC)C1	REAL300020266473	1	45	-1.0	-41.08	343.94	7.00	-34.08
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(CC)C1	REAL300020266474	0	49	-1.0	-42.88	371.66	8.97	-33.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(CC)C1	REAL300020266474	1	49	-1.0	-42.87	371.69	8.96	-33.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020266475	0	55	-1.0	-42.59	425.28	10.77	-31.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020266475	1	55	-1.0	-42.63	425.34	10.78	-31.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020266476	0	52	-1.0	-44.10	406.73	10.16	-33.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020266476	1	52	-1.0	-44.12	406.79	10.18	-33.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020266477	0	50	-1.0	-42.17	378.45	6.45	-35.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020266477	1	50	-1.0	-42.15	378.50	6.47	-35.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020266478	0	47	-1.0	-43.50	366.81	6.02	-37.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020266478	1	47	-1.0	-43.47	366.86	6.05	-37.42
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020266479	0	54	-1.0	-43.21	412.98	8.70	-34.51
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020266479	1	54	-1.0	-43.20	412.99	8.69	-34.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=C(OC)C=C1	REAL300020266480	0	55	-1.0	-41.88	439.84	9.72	-32.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=C(OC)C=C1	REAL300020266480	1	55	-1.0	-41.90	439.90	9.73	-32.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=C(OC)C=C1	REAL300020266481	0	52	-1.0	-48.77	413.91	8.56	-40.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=C(OC)C=C1	REAL300020266481	1	52	-1.0	-48.80	413.98	8.58	-40.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020266482	0	42	-1.0	-40.13	374.22	8.32	-31.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020266482	1	42	-1.0	-40.11	374.28	8.34	-31.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020266483	0	39	-1.0	-42.06	348.66	7.59	-34.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020266483	1	39	-1.0	-42.08	348.72	7.61	-34.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020266484	0	48	-1.0	-40.63	403.43	7.64	-32.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020266484	1	48	-1.0	-40.63	403.49	7.65	-32.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020266485	0	45	-1.0	-42.97	381.92	6.85	-36.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020266485	1	45	-1.0	-42.98	381.98	6.88	-36.10
CCC1=CN=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)S1	REAL300020266486	0	44	-1.0	-40.02	381.19	6.71	-33.31
CCC1=CN=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)S1	REAL300020266486	1	44	-1.0	-40.03	381.25	6.72	-33.31
CCC1=CN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)S1	REAL300020266487	0	41	-1.0	-42.60	352.81	6.14	-36.46
CCC1=CN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)S1	REAL300020266487	1	41	-1.0	-42.57	352.86	6.17	-36.40
CCC1=CN=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)S1	REAL300020266488	0	48	-1.0	-43.61	402.39	8.68	-34.93
CCC1=CN=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)S1	REAL300020266488	1	48	-1.0	-43.57	402.44	8.67	-34.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020266489	0	46	-1.0	-43.46	370.19	3.58	-39.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020266489	1	46	-1.0	-43.43	370.25	3.60	-39.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020266490	0	43	-1.0	-44.83	349.30	2.75	-42.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020266490	1	43	-1.0	-44.87	349.36	2.77	-42.10
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020266491	0	50	-1.0	-45.55	397.54	5.53	-40.02
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020266491	1	50	-1.0	-45.51	397.58	5.51	-40.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C(C)C)CC2)CC1	REAL300020266492	0	61	0.0	-63.90	434.58	9.77	-54.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C(C)C)CC2)CC1	REAL300020266492	1	61	0.0	-63.92	434.64	9.78	-54.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020266493	0	49	-1.0	-43.34	404.74	6.29	-37.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020266493	1	49	-1.0	-43.38	404.68	6.28	-37.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020266494	0	46	-1.0	-45.89	382.92	5.68	-40.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020266494	1	46	-1.0	-45.87	382.86	5.66	-40.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020266495	0	49	-1.0	-45.77	407.77	6.59	-39.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020266495	1	49	-1.0	-45.80	407.72	6.58	-39.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020266496	0	46	-1.0	-48.73	386.29	5.82	-42.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020266496	1	46	-1.0	-48.78	386.24	5.80	-42.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020266497	0	49	-1.0	-40.43	404.52	6.95	-33.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020266497	1	49	-1.0	-40.45	404.58	6.96	-33.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020266498	0	46	-1.0	-41.67	382.92	6.16	-35.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020266498	1	46	-1.0	-41.68	382.99	6.18	-35.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020266499	0	52	-1.0	-47.17	406.04	7.09	-40.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020266499	1	52	-1.0	-47.17	406.10	7.10	-40.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020266500	0	49	-1.0	-49.06	383.83	6.48	-42.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020266500	1	49	-1.0	-49.08	383.88	6.50	-42.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020266501	0	42	-1.0	-40.47	370.63	7.95	-32.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020266501	1	42	-1.0	-40.47	370.68	7.96	-32.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020266502	0	39	-1.0	-40.71	348.74	7.22	-33.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020266502	1	39	-1.0	-40.69	348.80	7.25	-33.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(COC)C1	REAL300020266503	0	47	-1.0	-40.99	377.75	4.90	-36.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(COC)C1	REAL300020266503	1	47	-1.0	-41.00	377.81	4.91	-36.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(COC)C1	REAL300020266504	0	44	-1.0	-42.70	348.31	3.98	-38.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(COC)C1	REAL300020266504	1	44	-1.0	-42.71	348.37	3.98	-38.73
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(COC)C1	REAL300020266505	0	51	-1.0	-42.74	411.30	6.49	-36.25
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(COC)C1	REAL300020266505	1	51	-1.0	-42.73	411.33	6.48	-36.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@H+](CC)CC2CC2)CC1	REAL300020266506	0	61	0.0	-69.04	452.26	10.67	-58.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@@H+](CC)CC2CC2)CC1	REAL300020266506	1	61	0.0	-68.83	456.24	10.95	-57.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@H+](CC)CC2CC2)CC1	REAL300020266506	1	61	0.0	-68.96	452.32	10.68	-58.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@@H+](CC)CC2CC2)CC1	REAL300020266506	1	61	0.0	-68.86	456.29	10.97	-57.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020266507	0	43	-1.0	-44.70	362.79	5.00	-39.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020266507	1	43	-1.0	-44.68	362.85	5.01	-39.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020266508	0	40	-1.0	-46.36	341.22	4.21	-42.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020266508	1	40	-1.0	-46.39	341.28	4.25	-42.14
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020266509	0	47	-1.0	-47.39	385.10	7.17	-40.22
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020266509	1	47	-1.0	-47.34	385.13	7.14	-40.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300020266510	0	56	-1.0	-42.11	420.34	11.26	-30.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300020266510	1	56	-1.0	-42.13	420.40	11.28	-30.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300020266511	0	53	-1.0	-45.72	396.76	10.43	-35.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300020266511	1	53	-1.0	-45.72	396.82	10.46	-35.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCC1=C2SC=C1	REAL300020266512	0	48	-1.0	-44.04	387.86	7.52	-36.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCC1=C2SC=C1	REAL300020266512	1	48	-1.0	-44.05	387.92	7.54	-36.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020266513	0	43	-1.0	-52.87	344.33	2.66	-50.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020266513	1	43	-1.0	-52.92	344.39	2.67	-50.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020266514	0	40	-1.0	-57.14	322.96	1.90	-55.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020266514	1	40	-1.0	-57.13	322.90	1.88	-55.25
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020266515	0	47	-1.0	-54.23	372.67	4.63	-49.60
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020266515	1	47	-1.0	-54.22	372.71	4.62	-49.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020266516	0	45	-1.0	-45.19	360.48	6.42	-38.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020266516	1	45	-1.0	-45.19	360.53	6.44	-38.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020266517	0	42	-1.0	-45.01	341.92	5.81	-39.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020266517	1	42	-1.0	-45.03	341.98	5.84	-39.19
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020266518	0	49	-1.0	-47.01	388.26	8.41	-38.60
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020266518	1	49	-1.0	-46.97	388.28	8.40	-38.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(COC)CC1	REAL300020266519	0	49	-1.0	-40.76	376.99	6.45	-34.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(COC)CC1	REAL300020266519	1	49	-1.0	-40.76	377.05	6.46	-34.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(COC)CC1	REAL300020266520	0	46	-1.0	-42.43	360.62	5.46	-36.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(COC)CC1	REAL300020266520	1	46	-1.0	-42.39	360.68	5.49	-36.90
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(COC)CC1	REAL300020266521	0	53	-1.0	-42.12	410.48	8.27	-33.85
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(COC)CC1	REAL300020266521	1	53	-1.0	-42.09	410.53	8.27	-33.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	REAL300020266522	0	54	-1.0	-53.55	408.23	6.77	-46.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	REAL300020266522	1	54	-1.0	-53.58	408.28	6.79	-46.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020266523	0	47	-1.0	-40.13	372.43	6.91	-33.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020266523	1	47	-1.0	-40.12	372.48	6.92	-33.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020266524	0	44	-1.0	-42.55	354.54	6.25	-36.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020266524	1	44	-1.0	-42.48	354.59	6.28	-36.20
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020266525	0	51	-1.0	-42.52	400.12	9.18	-33.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020266525	1	51	-1.0	-42.47	400.17	9.17	-33.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC(C(C)C)=N2)CC1	REAL300020266526	0	55	-1.0	-43.48	435.31	8.38	-35.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC(C(C)C)=N2)CC1	REAL300020266526	1	55	-1.0	-43.46	435.37	8.40	-35.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC(C(C)C)=N2)CC1	REAL300020266527	0	52	-1.0	-45.60	417.49	7.72	-37.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC(C(C)C)=N2)CC1	REAL300020266527	1	52	-1.0	-45.58	417.55	7.74	-37.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=NC=CS2)CC1	REAL300020266528	0	50	-1.0	-42.98	412.07	5.24	-37.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=NC=CS2)CC1	REAL300020266528	1	50	-1.0	-42.97	412.13	5.25	-37.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=NC=CS2)CC1	REAL300020266529	0	47	-1.0	-44.86	390.60	4.45	-40.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=NC=CS2)CC1	REAL300020266529	1	47	-1.0	-44.83	390.66	4.48	-40.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CSC=C2)CC1	REAL300020266530	0	51	-1.0	-40.52	404.21	7.01	-33.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CSC=C2)CC1	REAL300020266530	1	51	-1.0	-40.52	404.26	7.03	-33.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CSC=C2)CC1	REAL300020266530	1	52	0.0	-65.31	413.89	9.05	-56.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CSC=C2)CC1	REAL300020266531	0	48	-1.0	-42.03	394.87	6.28	-35.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CSC=C2)CC1	REAL300020266531	1	48	-1.0	-42.03	394.93	6.31	-35.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CSC=C2)CC1	REAL300020266531	1	49	0.0	-63.16	389.11	7.79	-55.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C(F)(F)F)=CS1	REAL300020266532	0	41	-1.0	-41.31	378.76	6.16	-35.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C(F)(F)F)=CS1	REAL300020266532	1	41	-1.0	-41.35	378.81	6.17	-35.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C(F)(F)F)=CS1	REAL300020266533	0	38	-1.0	-44.21	352.83	5.47	-38.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C(F)(F)F)=CS1	REAL300020266533	1	38	-1.0	-44.25	352.89	5.49	-38.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020266534	0	45	-1.0	-40.70	380.50	8.54	-32.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020266534	1	45	-1.0	-40.73	380.56	8.55	-32.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020266535	0	42	-1.0	-42.64	359.05	7.78	-34.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020266535	1	42	-1.0	-42.68	359.00	7.75	-34.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020266536	0	49	-1.0	-44.22	403.98	10.71	-33.51
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020266536	1	49	-1.0	-44.16	404.11	10.70	-33.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020266537	0	43	-1.0	-40.44	346.19	5.34	-35.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020266537	1	43	-1.0	-40.45	346.25	5.36	-35.09
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020266538	0	47	-1.0	-42.24	377.02	7.41	-34.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020266538	1	47	-1.0	-42.25	377.06	7.40	-34.85
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020266539	0	48	-1.0	-45.07	388.87	7.57	-37.50
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020266539	1	48	-1.0	-45.05	388.93	7.59	-37.46
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020266540	0	45	-1.0	-49.00	361.77	7.04	-41.96
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020266540	1	45	-1.0	-49.00	361.83	7.05	-41.95
CCOC(=O)[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020266541	0	52	-1.0	-46.53	405.19	9.15	-37.38
CCOC(=O)[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020266541	1	52	-1.0	-46.45	405.22	9.14	-37.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020266542	0	46	-1.0	-40.64	359.01	6.20	-34.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020266542	1	46	-1.0	-40.67	359.07	6.21	-34.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020266543	0	43	-1.0	-43.11	337.38	5.40	-37.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020266543	1	43	-1.0	-43.13	337.43	5.42	-37.71
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020266544	0	50	-1.0	-43.34	382.32	8.10	-35.24
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020266544	1	50	-1.0	-43.34	382.35	8.09	-35.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020266545	0	45	-1.0	-39.64	372.74	8.47	-31.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020266545	1	45	-1.0	-39.64	372.80	8.48	-31.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020266546	0	42	-1.0	-42.08	351.20	7.74	-34.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020266546	1	42	-1.0	-42.06	351.14	7.71	-34.35
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020266547	0	49	-1.0	-42.28	393.77	10.53	-31.75
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020266547	1	49	-1.0	-42.33	393.81	10.52	-31.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020266548	0	50	-1.0	-41.38	408.09	8.34	-33.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020266548	1	50	-1.0	-41.38	408.15	8.35	-33.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020266549	0	47	-1.0	-43.89	373.36	7.83	-36.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020266549	1	47	-1.0	-43.87	373.41	7.83	-36.04
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC(C)O1	REAL300020266550	0	46	-1.0	-40.07	364.91	6.46	-33.61
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC(C)O1	REAL300020266550	1	46	-1.0	-40.09	364.96	6.48	-33.61
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC(C)O1	REAL300020266551	0	43	-1.0	-42.26	340.13	5.52	-36.74
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC(C)O1	REAL300020266551	1	43	-1.0	-42.25	340.18	5.54	-36.71
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC(C)O1	REAL300020266552	0	50	-1.0	-41.83	398.45	8.07	-33.76
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC(C)O1	REAL300020266552	1	50	-1.0	-41.81	398.48	8.06	-33.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020266553	0	53	-1.0	-42.00	422.51	9.29	-32.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020266553	1	53	-1.0	-42.00	422.57	9.30	-32.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020266554	0	50	-1.0	-44.47	400.04	8.88	-35.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020266554	1	50	-1.0	-44.52	400.10	8.90	-35.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020266555	0	38	-1.0	-41.46	332.02	6.00	-35.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020266555	1	38	-1.0	-41.43	332.08	6.01	-35.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020266556	0	35	-1.0	-42.68	310.46	5.22	-37.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020266556	1	35	-1.0	-42.68	310.52	5.25	-37.43
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(F)(F)F	REAL300020266557	0	42	-1.0	-43.65	360.20	8.00	-35.65
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(F)(F)F	REAL300020266557	1	42	-1.0	-43.63	360.25	7.99	-35.64
CCC1=NC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)=CS1	REAL300020266558	0	50	-1.0	-45.72	416.69	5.02	-40.70
CCC1=NC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)=CS1	REAL300020266558	1	50	-1.0	-45.73	416.75	5.05	-40.68
CCC1=NC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)=CS1	REAL300020266559	0	44	-1.0	-40.74	380.41	6.49	-34.25
CCC1=NC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)=CS1	REAL300020266559	1	44	-1.0	-40.75	380.47	6.51	-34.24
CCC1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)=CS1	REAL300020266560	0	41	-1.0	-44.22	358.56	5.54	-38.68
CCC1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)=CS1	REAL300020266560	1	41	-1.0	-44.22	358.61	5.57	-38.65
CCC1=NC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)=CS1	REAL300020266561	0	48	-1.0	-42.68	402.97	8.69	-33.99
CCC1=NC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)=CS1	REAL300020266561	1	48	-1.0	-42.63	403.01	8.68	-33.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020266562	0	38	-1.0	-43.07	322.98	4.78	-38.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020266562	1	38	-1.0	-43.06	323.04	4.79	-38.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020266563	0	35	-1.0	-44.43	315.18	4.10	-40.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020266563	1	35	-1.0	-44.39	315.12	4.08	-40.31
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CSC=N1	REAL300020266564	0	42	-1.0	-44.58	357.84	6.88	-37.70
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CSC=N1	REAL300020266564	1	42	-1.0	-44.57	357.88	6.88	-37.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020266565	0	53	-1.0	-42.08	422.90	9.62	-32.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020266565	1	53	-1.0	-42.03	422.96	9.63	-32.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020266566	0	50	-1.0	-44.49	401.05	9.01	-35.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020266566	1	50	-1.0	-44.49	401.12	9.02	-35.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020266567	0	50	-1.0	-48.09	404.97	3.95	-44.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020266567	1	50	-1.0	-48.04	405.03	3.96	-44.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020266568	0	47	-1.0	-49.80	383.28	3.34	-46.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020266568	1	47	-1.0	-49.77	383.34	3.36	-46.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2F)CC1	REAL300020266569	0	50	-1.0	-51.80	415.87	8.04	-43.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2F)CC1	REAL300020266569	1	50	-1.0	-51.83	415.93	8.07	-43.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020266570	0	48	-1.0	-40.94	361.67	7.62	-33.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020266570	1	48	-1.0	-40.89	361.73	7.64	-33.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020266571	0	45	-1.0	-42.98	341.44	6.79	-36.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020266571	1	45	-1.0	-43.01	341.49	6.81	-36.20
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020266572	0	52	-1.0	-42.20	393.66	9.58	-32.62
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020266572	1	52	-1.0	-42.21	393.70	9.56	-32.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020266573	0	48	-1.0	-40.85	351.56	7.41	-33.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020266573	1	48	-1.0	-40.88	351.61	7.42	-33.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020266574	0	45	-1.0	-42.54	344.92	7.09	-35.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020266574	1	45	-1.0	-42.53	344.98	7.11	-35.42
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020266575	0	52	-1.0	-42.89	378.73	9.34	-33.55
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020266575	1	52	-1.0	-42.90	378.75	9.33	-33.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020266576	0	48	-1.0	-40.89	373.96	4.52	-36.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020266576	1	48	-1.0	-40.95	374.02	4.53	-36.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020266577	0	45	-1.0	-42.24	356.93	3.94	-38.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020266577	1	45	-1.0	-42.25	356.99	3.96	-38.29
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020266578	0	52	-1.0	-44.60	392.41	6.36	-38.24
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020266578	1	52	-1.0	-44.59	392.43	6.35	-38.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020266579	0	51	-1.0	-40.94	384.24	6.50	-34.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020266579	1	51	-1.0	-40.92	384.30	6.52	-34.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020266580	0	48	-1.0	-42.16	372.28	4.97	-37.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020266580	1	48	-1.0	-42.18	372.33	4.99	-37.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020266581	0	54	-1.0	-41.43	429.83	9.25	-32.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020266581	1	54	-1.0	-41.46	429.89	9.27	-32.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020266582	0	51	-1.0	-42.99	409.20	8.27	-34.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020266582	1	51	-1.0	-42.99	409.25	8.29	-34.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)CC1	REAL300020266583	0	48	-1.0	-46.88	401.92	5.35	-41.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)CC1	REAL300020266583	1	48	-1.0	-46.87	401.86	5.34	-41.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020266584	0	48	-1.0	-45.23	403.68	5.30	-39.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020266584	1	48	-1.0	-45.23	403.62	5.28	-39.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020266585	0	45	-1.0	-46.78	385.11	4.64	-42.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020266585	1	45	-1.0	-46.82	385.06	4.61	-42.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020266586	0	48	-1.0	-47.81	405.31	5.49	-42.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020266586	1	48	-1.0	-47.76	405.26	5.47	-42.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020266587	0	47	-1.0	-42.55	392.82	7.80	-34.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020266587	1	47	-1.0	-42.57	392.88	7.82	-34.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020266588	0	44	-1.0	-44.50	376.86	6.93	-37.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020266588	1	44	-1.0	-44.48	376.93	6.96	-37.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020266589	0	55	-1.0	-40.48	396.44	9.53	-30.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020266589	1	55	-1.0	-40.47	396.50	9.55	-30.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020266590	0	52	-1.0	-44.67	364.56	8.20	-36.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020266590	1	52	-1.0	-44.68	364.62	8.22	-36.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020266591	0	49	-1.0	-38.68	383.98	8.61	-30.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020266591	1	49	-1.0	-38.72	384.04	8.63	-30.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020266592	0	46	-1.0	-42.10	357.43	7.98	-34.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020266592	1	46	-1.0	-42.08	357.48	7.99	-34.09
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020266593	0	53	-1.0	-42.36	400.19	10.76	-31.60
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020266593	1	53	-1.0	-42.37	400.22	10.75	-31.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020266594	0	48	-1.0	-40.17	376.63	6.95	-33.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020266594	1	48	-1.0	-40.15	376.68	6.97	-33.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020266595	0	45	-1.0	-42.98	354.60	6.21	-36.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020266595	1	45	-1.0	-42.99	354.66	6.24	-36.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=C(F)C(F)=C2)CC1	REAL300020266596	0	47	-1.0	-44.97	392.86	9.72	-35.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=C(F)C(F)=C2)CC1	REAL300020266596	1	47	-1.0	-44.98	392.92	9.74	-35.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020266597	0	43	-1.0	-40.17	343.16	7.55	-32.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020266597	1	43	-1.0	-40.18	343.22	7.57	-32.61
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020266598	0	47	-1.0	-42.04	373.28	9.68	-32.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020266598	1	47	-1.0	-42.04	373.31	9.67	-32.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=C(F)C=C2)CC1	REAL300020266599	0	50	-1.0	-46.34	404.44	6.56	-39.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=C(F)C=C2)CC1	REAL300020266599	1	50	-1.0	-46.36	404.50	6.58	-39.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020266600	0	51	-1.0	-40.16	373.44	8.20	-31.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020266600	1	51	-1.0	-40.11	373.50	8.22	-31.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020266601	0	48	-1.0	-43.25	350.07	7.35	-35.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020266601	1	48	-1.0	-43.24	350.13	7.37	-35.87
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020266602	0	55	-1.0	-41.13	407.13	10.03	-31.10
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020266602	1	55	-1.0	-41.12	407.17	10.02	-31.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020266603	0	48	-1.0	-43.42	389.72	6.30	-37.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020266603	1	48	-1.0	-43.40	389.78	6.31	-37.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020266604	0	45	-1.0	-48.73	365.16	5.36	-43.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020266604	1	45	-1.0	-48.71	365.22	5.38	-43.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020266605	0	51	-1.0	-39.30	378.09	7.89	-31.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020266605	1	51	-1.0	-39.32	378.15	7.90	-31.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020266606	0	48	-1.0	-41.78	356.03	7.30	-34.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020266606	1	48	-1.0	-41.75	356.08	7.33	-34.42
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020266607	0	55	-1.0	-41.26	406.19	10.10	-31.16
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020266607	1	55	-1.0	-41.21	406.23	10.09	-31.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)C1	REAL300020266608	0	48	-1.0	-40.78	369.91	8.13	-32.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)C1	REAL300020266608	1	48	-1.0	-40.79	369.97	8.15	-32.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)C1	REAL300020266609	0	45	-1.0	-44.19	342.99	7.45	-36.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)C1	REAL300020266609	1	45	-1.0	-44.13	343.05	7.47	-36.66
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(C)C)C1	REAL300020266610	0	52	-1.0	-42.68	394.79	9.90	-32.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(C)C)C1	REAL300020266610	1	52	-1.0	-42.68	394.82	9.89	-32.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)CC1	REAL300020266611	0	50	-1.0	-42.01	399.06	5.59	-36.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)CC1	REAL300020266611	1	50	-1.0	-42.02	399.12	5.61	-36.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)CC1	REAL300020266612	0	47	-1.0	-44.34	378.16	4.88	-39.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)CC1	REAL300020266612	1	47	-1.0	-44.36	378.21	4.90	-39.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCCOC)CC1	REAL300020266613	0	54	-1.0	-43.35	428.05	7.46	-35.89
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCCOC)CC1	REAL300020266613	1	54	-1.0	-43.33	428.09	7.45	-35.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC)C1	REAL300020266614	0	43	-1.0	-40.62	344.50	5.03	-35.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC)C1	REAL300020266614	1	43	-1.0	-40.67	344.56	5.05	-35.62
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COC)C1	REAL300020266615	0	47	-1.0	-42.33	374.29	7.06	-35.27
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COC)C1	REAL300020266615	1	47	-1.0	-42.30	374.32	7.05	-35.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020266616	0	48	-1.0	-41.01	357.37	7.95	-33.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020266616	1	48	-1.0	-41.04	357.43	7.96	-33.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020266617	0	45	-1.0	-42.76	339.64	6.74	-36.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020266617	1	45	-1.0	-42.77	339.70	6.77	-36.00
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020266618	0	52	-1.0	-42.87	384.98	9.26	-33.61
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020266618	1	52	-1.0	-42.79	385.01	9.26	-33.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020266619	0	51	-1.0	-44.51	405.62	8.42	-36.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020266619	1	51	-1.0	-44.49	405.67	8.43	-36.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020266620	0	48	-1.0	-45.74	384.12	7.63	-38.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020266620	1	48	-1.0	-45.73	384.18	7.66	-38.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020266621	0	50	-1.0	-41.73	398.19	8.44	-33.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020266621	1	50	-1.0	-41.77	398.24	8.46	-33.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020266622	0	47	-1.0	-44.75	373.78	7.55	-37.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020266622	1	47	-1.0	-44.75	373.84	7.58	-37.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCOCC1	REAL300020266623	0	55	-1.0	-41.05	436.08	7.19	-33.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCOCC1	REAL300020266623	1	55	-1.0	-41.01	436.14	7.20	-33.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCOCC1	REAL300020266624	0	52	-1.0	-46.91	411.78	6.59	-40.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCOCC1	REAL300020266624	1	52	-1.0	-46.93	411.84	6.61	-40.32
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020266625	0	43	-1.0	-40.01	344.57	7.49	-32.52
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020266625	1	43	-1.0	-40.01	344.62	7.51	-32.50
C=CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020266626	0	47	-1.0	-41.48	373.56	9.36	-32.12
C=CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020266626	1	47	-1.0	-41.48	373.60	9.35	-32.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)CC1	REAL300020266627	0	56	-1.0	-43.95	436.59	6.15	-37.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)CC1	REAL300020266627	1	56	-1.0	-43.95	436.65	6.17	-37.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)CC1	REAL300020266628	0	53	-1.0	-46.64	415.09	5.37	-41.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)CC1	REAL300020266628	1	53	-1.0	-46.61	415.15	5.39	-41.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)CC1	REAL300020266629	0	56	-1.0	-46.84	435.55	6.14	-40.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)CC1	REAL300020266629	1	56	-1.0	-46.83	435.61	6.17	-40.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)OC(C)(C)C)C1	REAL300020266630	0	56	-1.0	-41.77	441.10	6.16	-35.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)OC(C)(C)C)C1	REAL300020266630	1	56	-1.0	-41.76	441.16	6.18	-35.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)OC(C)(C)C)C1	REAL300020266631	0	53	-1.0	-43.72	420.46	5.19	-38.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)OC(C)(C)C)C1	REAL300020266631	1	53	-1.0	-43.70	420.52	5.21	-38.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300020266632	0	53	-1.0	-44.59	439.47	7.80	-36.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300020266632	1	53	-1.0	-44.59	439.53	7.81	-36.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300020266633	0	50	-1.0	-45.32	417.79	7.02	-38.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300020266633	1	50	-1.0	-45.39	417.84	7.05	-38.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC(C)C)CC1	REAL300020266634	0	53	-1.0	-43.32	413.32	4.11	-39.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC(C)C)CC1	REAL300020266634	1	53	-1.0	-43.32	413.38	4.12	-39.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC(C)C)CC1	REAL300020266635	0	50	-1.0	-44.86	406.61	3.28	-41.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC(C)C)CC1	REAL300020266635	1	50	-1.0	-44.90	406.67	3.30	-41.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)CC1	REAL300020266636	0	46	-1.0	-44.73	388.06	5.03	-39.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)CC1	REAL300020266636	1	46	-1.0	-44.75	388.12	5.06	-39.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020266637	0	51	-1.0	-42.65	405.74	4.05	-38.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020266637	1	51	-1.0	-42.66	405.80	4.07	-38.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020266638	0	48	-1.0	-44.80	393.45	3.51	-41.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020266638	1	48	-1.0	-44.80	393.51	3.54	-41.26
CCCC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020266639	0	52	-1.0	-46.34	412.67	6.26	-40.08
CCCC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020266639	1	52	-1.0	-46.35	412.73	6.27	-40.08
CCCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020266640	0	49	-1.0	-49.58	391.17	5.47	-44.11
CCCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020266640	1	49	-1.0	-49.60	391.23	5.50	-44.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020266641	0	52	-1.0	-45.95	411.63	6.07	-39.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020266641	1	52	-1.0	-45.91	411.69	6.08	-39.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020266642	0	49	-1.0	-47.83	389.83	5.45	-42.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020266642	1	49	-1.0	-47.84	389.88	5.47	-42.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020266643	0	50	-1.0	-49.70	403.90	4.86	-44.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020266643	1	50	-1.0	-49.74	403.96	4.87	-44.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020266644	0	47	-1.0	-53.04	382.40	4.07	-48.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020266644	1	47	-1.0	-53.01	382.46	4.10	-48.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020266645	0	51	-1.0	-42.65	405.74	4.05	-38.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020266645	1	51	-1.0	-42.66	405.80	4.07	-38.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020266646	0	48	-1.0	-44.80	393.45	3.51	-41.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020266646	1	48	-1.0	-44.80	393.51	3.54	-41.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020266647	0	53	-1.0	-49.04	426.57	6.74	-42.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020266647	1	53	-1.0	-49.05	426.62	6.75	-42.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020266648	0	50	-1.0	-50.10	405.37	5.90	-44.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020266648	1	50	-1.0	-50.11	405.42	5.93	-44.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCCOC)CC1	REAL300020266649	0	56	-1.0	-45.79	445.41	5.18	-40.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCCOC)CC1	REAL300020266649	1	56	-1.0	-45.83	445.47	5.19	-40.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCCOC)CC1	REAL300020266650	0	53	-1.0	-49.13	424.51	4.46	-44.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCCOC)CC1	REAL300020266650	1	53	-1.0	-49.16	424.57	4.48	-44.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020266651	0	49	-1.0	-47.97	394.94	5.39	-42.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020266651	1	49	-1.0	-48.00	394.99	5.41	-42.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020266652	0	46	-1.0	-51.23	374.31	4.41	-46.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020266652	1	46	-1.0	-51.22	374.36	4.43	-46.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020266653	0	53	-1.0	-49.50	423.56	7.35	-42.15
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020266653	1	53	-1.0	-49.48	423.61	7.35	-42.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020266654	0	49	-1.0	-46.27	390.74	5.39	-40.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020266654	1	49	-1.0	-46.26	390.80	5.41	-40.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020266655	0	46	-1.0	-47.12	369.25	4.61	-42.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020266655	1	46	-1.0	-47.11	369.30	4.63	-42.48
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020266656	0	53	-1.0	-47.67	419.72	7.27	-40.40
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020266656	1	53	-1.0	-47.67	419.76	7.26	-40.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020266657	0	53	-1.0	-42.20	413.06	5.24	-36.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020266657	1	53	-1.0	-42.24	413.12	5.25	-36.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020266658	0	50	-1.0	-44.58	394.36	4.63	-39.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020266658	1	50	-1.0	-44.60	394.41	4.65	-39.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2=CC=CC=C2)CC1	REAL300020266659	0	52	-1.0	-51.41	419.74	6.25	-45.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2=CC=CC=C2)CC1	REAL300020266659	1	52	-1.0	-51.42	419.80	6.28	-45.14
CCOCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020266660	0	51	-1.0	-41.87	405.95	4.55	-37.32
CCOCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020266660	1	51	-1.0	-41.89	406.01	4.56	-37.33
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020266660	1	52	0.0	-65.39	403.32	6.73	-58.66
CCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020266661	0	48	-1.0	-44.24	384.42	3.72	-40.52
CCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020266661	1	48	-1.0	-44.26	384.48	3.75	-40.51
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020266661	1	49	0.0	-64.13	381.34	6.12	-58.01
CCOCCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020266662	0	55	-1.0	-43.56	434.49	6.52	-37.04
CCOCCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020266662	1	55	-1.0	-43.56	434.53	6.51	-37.05
CCOCC[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020266662	1	56	0.0	-71.59	430.92	8.97	-62.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020266663	0	51	-1.0	-41.10	393.81	7.69	-33.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020266663	1	51	-1.0	-41.10	393.87	7.71	-33.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020266664	0	48	-1.0	-42.56	383.76	7.16	-35.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020266664	1	48	-1.0	-42.59	383.82	7.19	-35.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2Cl)CC1	REAL300020266665	0	48	-1.0	-44.07	404.17	7.12	-36.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2Cl)CC1	REAL300020266665	1	48	-1.0	-44.07	404.23	7.15	-36.92
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266666	0	42	-1.0	-42.48	336.19	7.79	-34.69
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266666	1	42	-1.0	-42.47	336.24	7.78	-34.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020266667	0	52	0.0	-65.87	391.45	8.14	-57.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020266667	1	52	0.0	-65.90	391.51	8.16	-57.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020266668	0	49	0.0	-65.85	369.76	7.56	-58.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020266668	1	49	0.0	-65.82	369.82	7.57	-58.25
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020266669	0	56	0.0	-69.93	423.73	10.34	-59.59
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020266669	1	56	0.0	-69.88	423.77	10.33	-59.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3O2)C1	REAL300020266670	0	51	-1.0	-46.53	419.12	6.72	-39.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3O2)C1	REAL300020266670	1	51	-1.0	-46.54	419.17	6.73	-39.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3O2)C1	REAL300020266671	0	48	-1.0	-48.27	397.61	5.93	-42.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3O2)C1	REAL300020266671	1	48	-1.0	-48.26	397.67	5.96	-42.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020266672	0	45	-1.0	-39.78	357.76	5.01	-34.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020266672	1	45	-1.0	-39.79	357.82	5.02	-34.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020266672	1	46	0.0	-63.88	352.33	7.35	-56.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020266673	0	42	-1.0	-42.40	332.65	4.33	-38.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020266673	1	42	-1.0	-42.43	332.71	4.35	-38.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020266673	1	43	0.0	-61.38	339.04	6.68	-54.70
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020266674	0	49	-1.0	-41.93	382.25	7.10	-34.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020266674	1	50	0.0	-68.11	385.75	9.27	-58.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020266674	1	49	-1.0	-41.89	382.27	7.09	-34.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300020266675	0	51	-1.0	-45.95	424.31	8.04	-37.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300020266675	1	51	-1.0	-45.94	424.37	8.06	-37.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020266676	0	43	-1.0	-40.48	345.42	5.07	-35.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020266676	1	43	-1.0	-40.46	345.48	5.09	-35.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020266677	0	47	-1.0	-43.37	373.39	7.32	-36.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020266677	1	47	-1.0	-43.30	373.42	7.32	-35.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020266678	0	52	-1.0	-45.05	397.26	6.32	-38.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020266678	1	52	-1.0	-45.03	397.32	6.34	-38.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020266679	0	49	-1.0	-45.25	379.80	5.70	-39.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020266679	1	49	-1.0	-45.25	379.85	5.72	-39.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)OC(C)(C)C)C1	REAL300020266680	0	56	-1.0	-41.40	436.23	7.51	-33.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)OC(C)(C)C)C1	REAL300020266680	1	56	-1.0	-41.45	436.29	7.52	-33.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)OC(C)(C)C)C1	REAL300020266681	0	53	-1.0	-44.01	410.81	6.79	-37.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)OC(C)(C)C)C1	REAL300020266681	1	53	-1.0	-44.05	410.86	6.81	-37.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020266682	0	48	-1.0	-43.40	403.01	6.88	-36.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020266682	1	48	-1.0	-43.38	402.95	6.86	-36.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020266683	0	45	-1.0	-44.61	380.81	6.30	-38.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020266683	1	45	-1.0	-44.64	380.76	6.28	-38.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020266684	0	39	-1.0	-41.17	322.35	6.48	-34.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020266684	1	39	-1.0	-41.16	322.41	6.49	-34.67
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020266685	0	43	-1.0	-44.05	344.90	8.36	-35.69
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020266685	1	43	-1.0	-43.98	344.90	8.35	-35.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020266686	0	54	-1.0	-39.88	429.77	9.13	-30.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020266686	1	54	-1.0	-39.90	429.83	9.15	-30.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020266687	0	51	-1.0	-42.15	408.32	8.35	-33.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020266687	1	51	-1.0	-42.18	408.37	8.37	-33.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020266688	0	47	-1.0	-48.65	380.93	5.08	-43.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020266688	1	47	-1.0	-48.62	380.99	5.09	-43.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020266689	0	44	-1.0	-51.13	363.07	4.38	-46.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020266689	1	44	-1.0	-51.10	363.13	4.42	-46.68
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020266690	0	51	-1.0	-50.53	412.95	7.19	-43.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020266690	1	51	-1.0	-50.45	413.00	7.18	-43.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020266691	0	49	-1.0	-45.89	401.44	6.87	-39.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020266691	1	49	-1.0	-45.89	401.39	6.86	-39.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020266692	0	46	-1.0	-48.90	380.13	6.10	-42.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020266692	1	46	-1.0	-48.91	380.07	6.07	-42.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020266693	0	50	-1.0	-45.67	399.42	7.69	-37.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020266693	1	50	-1.0	-45.72	399.47	7.71	-38.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020266694	0	47	-1.0	-46.83	388.72	7.16	-39.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020266694	1	47	-1.0	-46.80	388.77	7.19	-39.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020266695	0	51	-1.0	-42.55	415.73	7.39	-35.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020266695	1	51	-1.0	-42.57	415.79	7.40	-35.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020266696	0	48	-1.0	-44.84	394.25	6.61	-38.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020266696	1	48	-1.0	-44.87	394.31	6.63	-38.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020266697	0	47	-1.0	-40.80	399.08	6.98	-33.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020266697	1	47	-1.0	-40.79	399.02	6.97	-33.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020266698	0	44	-1.0	-43.57	377.60	6.21	-37.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020266698	1	44	-1.0	-43.50	377.54	6.19	-37.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CS2)CC1	REAL300020266699	0	47	-1.0	-48.94	400.65	7.12	-41.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CS2)CC1	REAL300020266699	1	47	-1.0	-48.95	400.71	7.14	-41.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CCC2CCCC2)CC1	REAL300020266700	0	56	-1.0	-47.93	436.08	8.39	-39.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CCC2CCCC2)CC1	REAL300020266700	1	56	-1.0	-47.93	436.14	8.41	-39.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(OC(F)F)=C1	REAL300020266701	0	47	-1.0	-47.83	394.56	6.52	-41.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(OC(F)F)=C1	REAL300020266701	1	47	-1.0	-47.85	394.62	6.54	-41.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Br)=C1	REAL300020266702	0	42	-1.0	-39.84	359.62	8.38	-31.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Br)=C1	REAL300020266702	1	42	-1.0	-39.88	359.67	8.39	-31.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Br)=C1	REAL300020266703	0	39	-1.0	-40.93	351.04	7.65	-33.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Br)=C1	REAL300020266703	1	39	-1.0	-40.94	351.10	7.68	-33.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020266704	0	45	-1.0	-39.58	372.98	8.43	-31.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020266704	1	45	-1.0	-39.61	373.04	8.44	-31.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020266705	0	42	-1.0	-42.03	351.20	7.73	-34.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020266705	1	42	-1.0	-42.02	351.15	7.70	-34.32
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020266706	0	49	-1.0	-42.83	390.45	10.53	-32.30
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020266706	1	49	-1.0	-42.87	390.45	10.52	-32.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020266707	0	42	-1.0	-40.86	364.33	7.88	-32.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020266707	1	42	-1.0	-40.89	364.39	7.90	-32.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020266708	0	39	-1.0	-42.85	338.83	7.17	-35.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020266708	1	39	-1.0	-42.82	338.77	7.16	-35.66
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020266709	0	46	-1.0	-44.77	381.60	9.95	-34.82
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020266709	1	46	-1.0	-44.71	381.59	9.93	-34.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020266710	0	39	-1.0	-38.98	355.59	6.75	-32.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020266710	1	39	-1.0	-38.98	355.64	6.76	-32.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020266711	0	36	-1.0	-41.70	332.72	5.93	-35.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020266711	1	36	-1.0	-41.70	332.78	5.96	-35.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC(F)(F)F)C=C1	REAL300020266712	0	46	-1.0	-39.47	397.33	7.59	-31.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC(F)(F)F)C=C1	REAL300020266712	1	46	-1.0	-39.44	397.39	7.60	-31.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC(F)(F)F)C=C1	REAL300020266713	0	43	-1.0	-41.13	375.73	6.83	-34.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC(F)(F)F)C=C1	REAL300020266713	1	43	-1.0	-41.16	375.78	6.86	-34.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020266714	0	43	-1.0	-43.13	372.42	8.14	-34.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020266714	1	43	-1.0	-43.13	372.48	8.16	-34.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020266715	0	40	-1.0	-43.52	350.65	7.45	-36.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020266715	1	40	-1.0	-43.52	350.59	7.42	-36.10
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020266716	0	47	-1.0	-44.97	393.24	10.24	-34.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020266716	1	47	-1.0	-44.97	393.30	10.23	-34.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020266717	0	43	-1.0	-41.93	372.26	8.20	-33.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020266717	1	43	-1.0	-41.96	372.31	8.22	-33.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020266718	0	40	-1.0	-43.03	350.62	7.46	-35.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020266718	1	40	-1.0	-43.03	350.57	7.43	-35.60
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020266719	0	47	-1.0	-44.83	393.21	10.24	-34.59
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020266719	1	47	-1.0	-44.84	393.24	10.23	-34.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2C(N)=O)CC1	REAL300020266720	0	51	-1.0	-49.95	417.24	4.26	-45.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2C(N)=O)CC1	REAL300020266720	1	51	-1.0	-49.99	417.18	4.24	-45.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2C(N)=O)CC1	REAL300020266721	0	48	-1.0	-53.52	396.37	3.43	-50.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2C(N)=O)CC1	REAL300020266721	1	48	-1.0	-53.54	396.31	3.41	-50.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020266722	0	51	-1.0	-39.48	386.58	8.19	-31.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020266722	1	51	-1.0	-39.49	386.64	8.20	-31.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020266723	0	48	-1.0	-42.18	364.52	7.70	-34.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020266723	1	48	-1.0	-42.19	364.60	7.74	-34.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020266724	0	55	-1.0	-41.75	412.84	10.49	-31.26
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020266724	1	55	-1.0	-41.66	412.88	10.48	-31.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020266725	0	46	-1.0	-41.56	378.92	8.69	-32.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020266725	1	46	-1.0	-41.57	378.97	8.70	-32.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020266726	0	43	-1.0	-44.17	359.60	7.70	-36.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020266726	1	43	-1.0	-44.21	359.54	7.67	-36.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020266727	0	51	-1.0	-39.72	393.56	8.71	-31.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020266727	1	51	-1.0	-39.72	393.62	8.73	-30.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020266728	0	48	-1.0	-42.58	372.43	7.87	-34.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020266728	1	48	-1.0	-42.56	372.49	7.90	-34.66
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020266729	0	55	-1.0	-41.38	421.64	10.83	-30.55
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020266729	1	55	-1.0	-41.35	421.68	10.83	-30.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020266730	0	59	0.0	-64.33	447.39	8.91	-55.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020266731	0	56	0.0	-65.67	425.48	8.29	-57.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020266731	1	56	0.0	-65.69	425.55	8.30	-57.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020266732	0	49	-1.0	-42.30	384.12	6.51	-35.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020266732	1	49	-1.0	-42.36	384.18	6.53	-35.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020266733	0	46	-1.0	-43.34	362.71	5.75	-37.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020266733	1	46	-1.0	-43.37	362.78	5.78	-37.59
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020266734	0	53	-1.0	-44.55	411.84	8.50	-36.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020266734	1	53	-1.0	-44.54	411.93	8.48	-36.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020266735	0	46	-1.0	-44.00	373.76	5.37	-38.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020266735	1	46	-1.0	-43.99	373.71	5.35	-38.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020266736	0	43	-1.0	-46.37	346.71	4.68	-41.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020266736	1	43	-1.0	-46.34	346.66	4.66	-41.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020266737	0	46	-1.0	-39.78	380.92	8.52	-31.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020266737	1	46	-1.0	-39.81	380.97	8.53	-31.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020266738	0	43	-1.0	-41.91	363.03	7.84	-34.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020266738	1	43	-1.0	-41.93	363.09	7.87	-34.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020266739	0	46	-1.0	-41.79	384.94	8.95	-32.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020266739	1	46	-1.0	-41.81	384.99	8.97	-32.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020266740	0	43	-1.0	-45.80	367.39	8.52	-37.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020266740	1	43	-1.0	-45.81	367.32	8.49	-37.32
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020266741	0	45	-1.0	-42.74	350.41	7.53	-35.21
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020266741	1	45	-1.0	-42.71	350.45	7.52	-35.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020266742	0	50	-1.0	-46.05	402.60	6.16	-39.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020266742	1	50	-1.0	-46.03	402.66	6.18	-39.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020266743	0	47	-1.0	-47.93	380.70	5.55	-42.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020266743	1	47	-1.0	-47.93	380.76	5.57	-42.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=C(F)C=CC=C2F)CC1	REAL300020266744	0	47	-1.0	-46.49	385.68	5.96	-40.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=C(F)C=CC=C2F)CC1	REAL300020266744	1	47	-1.0	-46.48	385.74	5.98	-40.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(C(F)(F)F)C=C1	REAL300020266745	0	46	-1.0	-42.16	396.21	8.03	-34.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(C(F)(F)F)C=C1	REAL300020266745	1	46	-1.0	-42.18	396.26	8.05	-34.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1Br	REAL300020266746	0	39	-1.0	-41.76	338.03	7.40	-34.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1Br	REAL300020266746	1	39	-1.0	-41.73	338.08	7.43	-34.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020266747	0	48	-1.0	-45.12	400.95	7.42	-37.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020266747	1	48	-1.0	-45.05	401.00	7.44	-37.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020266748	0	45	-1.0	-46.99	379.50	6.64	-40.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020266748	1	45	-1.0	-47.01	379.56	6.67	-40.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020266749	0	44	-1.0	-44.32	349.06	4.16	-40.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020266749	1	44	-1.0	-44.34	349.12	4.17	-40.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020266750	0	41	-1.0	-46.31	332.51	3.53	-42.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020266750	1	41	-1.0	-46.29	332.57	3.55	-42.74
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020266751	0	48	-1.0	-45.96	384.98	6.43	-39.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020266751	1	48	-1.0	-45.86	384.99	6.42	-39.44
CCOC(C)C1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)=N1	REAL300020266752	0	50	-1.0	-40.89	420.52	3.93	-36.96
CCOC(C)C1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)=N1	REAL300020266752	1	50	-1.0	-40.87	420.58	3.95	-36.92
CCOC(C)C1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)=N1	REAL300020266753	0	47	-1.0	-42.05	398.77	3.38	-38.67
CCOC(C)C1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)=N1	REAL300020266753	1	47	-1.0	-42.05	398.83	3.40	-38.65
CCOC(C)C1=NC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)=CS1	REAL300020266754	0	51	-1.0	-42.58	420.47	6.23	-36.35
CCOC(C)C1=NC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)=CS1	REAL300020266754	1	51	-1.0	-42.59	420.53	6.24	-36.35
CCOC(C)C1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)=CS1	REAL300020266755	0	48	-1.0	-43.87	412.60	5.53	-38.34
CCOC(C)C1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)=CS1	REAL300020266755	1	48	-1.0	-43.85	412.66	5.55	-38.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020266756	0	53	-1.0	-44.29	404.27	7.79	-36.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020266756	1	53	-1.0	-44.32	404.33	7.80	-36.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020266757	0	50	-1.0	-46.14	387.85	6.81	-39.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020266757	1	50	-1.0	-46.17	387.91	6.84	-39.33
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020266758	0	54	0.0	-67.83	406.48	8.85	-58.98
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020266758	1	54	0.0	-69.14	403.77	8.64	-60.50
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020266758	1	54	0.0	-67.86	406.54	8.87	-58.99
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020266758	1	54	0.0	-69.15	403.83	8.66	-60.49
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020266759	0	51	0.0	-66.97	384.96	8.08	-58.89
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020266759	1	51	0.0	-68.32	376.71	7.96	-60.36
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020266759	1	51	0.0	-66.94	385.02	8.10	-58.84
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020266759	1	51	0.0	-68.31	376.77	7.98	-60.33
CCC[N@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020266760	0	58	0.0	-72.69	430.49	10.62	-62.07
CCC[N@@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020266760	1	58	0.0	-73.16	431.33	10.62	-62.54
CCC[N@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020266760	1	58	0.0	-72.70	430.51	10.61	-62.09
CCC[N@@H+](C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020266760	1	58	0.0	-73.22	431.36	10.60	-62.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCCOC)C1	REAL300020266761	0	50	-1.0	-42.42	397.10	5.25	-37.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCCOC)C1	REAL300020266761	1	50	-1.0	-42.47	397.15	5.27	-37.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCCOC)C1	REAL300020266762	0	47	-1.0	-44.54	370.04	4.56	-39.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCCOC)C1	REAL300020266762	1	47	-1.0	-44.54	370.10	4.58	-39.96
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COCCOC)C1	REAL300020266763	0	54	-1.0	-44.37	424.67	7.23	-37.14
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COCCOC)C1	REAL300020266763	1	54	-1.0	-44.39	424.70	7.22	-37.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020266764	0	55	-1.0	-39.96	395.91	10.09	-29.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020266764	1	55	-1.0	-39.98	395.97	10.10	-29.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020266765	0	52	-1.0	-41.76	374.18	9.28	-32.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020266765	1	52	-1.0	-41.82	374.23	9.31	-32.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020266766	0	50	-1.0	-41.92	407.68	10.16	-31.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020266766	1	50	-1.0	-41.93	407.74	10.18	-31.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020266767	0	47	-1.0	-43.63	380.64	9.47	-34.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020266767	1	47	-1.0	-43.62	380.70	9.49	-34.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020266768	0	49	-1.0	-40.54	409.82	10.11	-30.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020266768	1	49	-1.0	-40.56	409.88	10.12	-30.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020266769	0	46	-1.0	-42.67	388.32	9.32	-33.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020266769	1	46	-1.0	-42.65	388.38	9.35	-33.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020266770	0	52	-1.0	-40.00	406.79	10.06	-29.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020266770	1	52	-1.0	-40.06	406.85	10.08	-29.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020266771	0	49	-1.0	-42.51	384.73	9.46	-33.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020266771	1	49	-1.0	-42.48	384.79	9.49	-32.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020266772	0	51	-1.0	-42.87	404.44	8.51	-34.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020266772	1	51	-1.0	-42.87	404.50	8.52	-34.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020266773	0	48	-1.0	-45.43	386.67	7.85	-37.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020266773	1	48	-1.0	-45.42	386.73	7.88	-37.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020266774	0	50	-1.0	-51.26	387.68	6.52	-44.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020266774	1	50	-1.0	-51.24	387.73	6.53	-44.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020266775	0	47	-1.0	-54.09	365.12	5.88	-48.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020266775	1	47	-1.0	-54.07	365.17	5.90	-48.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020266776	0	48	-1.0	-40.20	378.18	5.94	-34.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020266776	1	48	-1.0	-40.18	378.24	5.95	-34.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020266777	0	45	-1.0	-42.48	347.14	5.54	-36.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020266777	1	45	-1.0	-42.53	347.19	5.55	-36.98
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC(C)(C)C	REAL300020266778	0	52	-1.0	-41.74	410.13	8.07	-33.67
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC(C)(C)C	REAL300020266778	1	52	-1.0	-41.71	410.18	8.06	-33.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020266779	0	46	-1.0	-45.04	378.78	9.30	-35.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020266779	1	46	-1.0	-45.07	378.83	9.33	-35.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020266780	0	47	-1.0	-40.89	398.72	7.24	-33.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020266780	1	47	-1.0	-40.87	398.78	7.25	-33.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020266781	0	44	-1.0	-44.00	368.01	6.92	-37.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020266781	1	44	-1.0	-43.99	368.07	6.94	-37.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020266782	0	53	-1.0	-39.72	389.15	8.28	-31.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020266782	1	53	-1.0	-39.72	389.21	8.29	-31.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020266783	0	50	-1.0	-42.27	373.34	7.18	-35.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020266783	1	50	-1.0	-42.24	373.39	7.21	-35.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)C(C)=NN2C)CC1	REAL300020266784	0	52	-1.0	-42.22	429.90	6.28	-35.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)C(C)=NN2C)CC1	REAL300020266784	1	52	-1.0	-42.18	429.96	6.29	-35.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)C(C)=NN2C)CC1	REAL300020266785	0	49	-1.0	-44.08	408.39	5.50	-38.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)C(C)=NN2C)CC1	REAL300020266785	1	49	-1.0	-44.07	408.45	5.52	-38.55
CCN(CC)C(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020266786	0	58	-1.0	-46.93	447.81	9.03	-37.90
CCN(CC)C(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020266786	1	58	-1.0	-46.93	447.87	9.05	-37.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300020266787	0	59	0.0	-70.10	442.20	8.26	-61.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCN2CCOCC2)CC1	REAL300020266787	1	58	-1.0	-44.04	438.50	6.09	-37.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCN2CCOCC2)CC1	REAL300020266787	1	58	-1.0	-44.04	438.55	6.11	-37.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)(C)C)C1	REAL300020266788	0	58	-1.0	-47.35	453.97	7.44	-39.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)(C)C)C1	REAL300020266788	1	58	-1.0	-47.34	454.02	7.46	-39.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)(C)C)C1	REAL300020266789	0	55	-1.0	-50.58	433.33	6.46	-44.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)(C)C)C1	REAL300020266789	1	55	-1.0	-50.61	433.39	6.48	-44.13
CCCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020266790	0	52	-1.0	-44.99	411.73	6.11	-38.88
CCCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020266790	1	52	-1.0	-45.05	411.79	6.13	-38.92
CCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020266791	0	49	-1.0	-45.26	390.24	5.33	-39.93
CCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020266791	1	49	-1.0	-45.22	390.30	5.35	-39.87
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020266792	0	46	-1.0	-49.97	370.14	4.18	-45.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020266792	1	46	-1.0	-49.97	370.20	4.19	-45.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020266793	0	43	-1.0	-51.00	352.38	3.51	-47.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020266793	1	43	-1.0	-50.99	352.44	3.54	-47.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020266794	0	50	-1.0	-53.35	390.06	6.36	-46.99
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020266794	1	50	-1.0	-53.35	390.08	6.35	-47.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020266795	0	47	-1.0	-46.40	368.74	2.24	-44.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020266795	1	47	-1.0	-46.46	368.79	2.25	-44.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020266796	0	44	-1.0	-50.13	366.73	2.27	-47.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020266796	1	44	-1.0	-50.12	366.79	2.29	-47.83
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020266797	0	51	-1.0	-49.36	416.53	5.03	-44.33
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020266797	1	51	-1.0	-49.27	416.58	5.02	-44.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=C(C)C=C2)CC1	REAL300020266798	0	53	-1.0	-49.63	431.83	8.68	-40.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=C(C)C=C2)CC1	REAL300020266798	1	53	-1.0	-49.64	431.88	8.70	-40.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020266799	0	47	-1.0	-47.80	368.88	3.91	-43.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020266799	1	47	-1.0	-47.84	368.94	3.92	-43.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020266800	0	44	-1.0	-49.13	351.04	3.23	-45.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020266800	1	44	-1.0	-49.14	351.09	3.26	-45.88
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020266801	0	51	-1.0	-47.13	398.22	6.17	-40.96
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020266801	1	51	-1.0	-47.11	398.20	6.15	-40.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020266802	0	45	-1.0	-47.33	352.42	3.85	-43.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020266802	1	45	-1.0	-47.41	352.48	3.86	-43.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020266803	0	42	-1.0	-49.30	344.05	3.13	-46.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020266803	1	42	-1.0	-49.30	344.11	3.16	-46.14
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020266804	0	49	-1.0	-49.24	393.66	6.08	-43.16
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020266804	1	49	-1.0	-49.27	393.70	6.07	-43.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020266805	0	53	-1.0	-47.40	428.04	7.50	-39.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020266805	1	53	-1.0	-47.43	428.10	7.52	-39.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020266806	0	50	-1.0	-51.19	406.20	6.89	-44.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020266806	1	50	-1.0	-51.20	406.26	6.90	-44.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020266807	0	49	-1.0	-47.44	387.37	5.22	-42.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020266807	1	49	-1.0	-47.43	387.43	5.23	-42.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020266808	0	46	-1.0	-51.37	365.87	4.43	-46.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020266808	1	46	-1.0	-51.36	365.93	4.46	-46.90
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020266809	0	53	-1.0	-50.02	416.36	7.08	-42.94
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020266809	1	53	-1.0	-49.99	416.40	7.07	-42.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020266810	0	52	-1.0	-45.06	400.88	5.31	-39.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020266810	1	52	-1.0	-45.08	400.94	5.32	-39.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020266811	0	49	-1.0	-48.09	379.04	4.70	-43.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020266811	1	49	-1.0	-48.09	379.10	4.71	-43.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020266812	0	54	-1.0	-46.64	404.99	5.92	-40.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020266812	1	54	-1.0	-46.64	405.05	5.94	-40.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020266813	0	51	-1.0	-45.95	399.19	5.17	-40.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020266813	1	51	-1.0	-45.96	399.24	5.20	-40.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(=O)NC	REAL300020266814	0	45	-1.0	-44.55	369.24	3.85	-40.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(=O)NC	REAL300020266814	1	45	-1.0	-44.58	369.30	3.87	-40.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(=O)NC	REAL300020266815	0	42	-1.0	-47.21	351.94	3.18	-44.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(=O)NC	REAL300020266815	1	42	-1.0	-47.20	351.99	3.20	-44.00
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC(=O)NC	REAL300020266816	0	49	-1.0	-46.33	401.68	5.95	-40.38
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC(=O)NC	REAL300020266816	1	49	-1.0	-46.36	401.73	5.94	-40.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020266817	0	48	-1.0	-43.31	389.32	3.78	-39.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020266817	1	48	-1.0	-43.39	389.38	3.79	-39.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020266818	0	45	-1.0	-44.61	371.48	3.12	-41.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020266818	1	45	-1.0	-44.66	371.54	3.14	-41.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)C(F)(F)F)CC1	REAL300020266819	0	46	-1.0	-45.27	388.46	5.03	-40.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)C(F)(F)F)CC1	REAL300020266819	1	46	-1.0	-45.21	388.40	5.01	-40.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020266820	0	52	-1.0	-47.43	417.46	5.96	-41.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020266820	1	52	-1.0	-47.45	417.52	5.97	-41.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020266821	0	49	-1.0	-48.51	400.16	5.28	-43.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020266821	1	49	-1.0	-48.49	400.21	5.30	-43.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020266822	0	49	-1.0	-43.62	397.51	4.22	-39.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020266822	1	49	-1.0	-43.62	397.57	4.23	-39.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020266823	0	46	-1.0	-47.27	369.74	3.62	-43.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020266823	1	46	-1.0	-47.26	369.79	3.64	-43.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)NC(=O)OC(C)(C)C)C1	REAL300020266824	0	56	-1.0	-45.14	424.78	5.79	-39.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)NC(=O)OC(C)(C)C)C1	REAL300020266824	1	56	-1.0	-45.11	424.83	5.81	-39.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020266825	0	46	-1.0	-53.29	366.25	4.19	-49.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020266825	1	46	-1.0	-53.29	366.31	4.21	-49.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020266826	0	43	-1.0	-49.33	344.78	3.35	-45.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020266826	1	43	-1.0	-49.30	344.84	3.38	-45.92
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020266827	0	50	-1.0	-54.55	394.73	6.17	-48.38
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020266827	1	50	-1.0	-54.52	394.77	6.16	-48.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(=O)OC(C)(C)C)C1	REAL300020266828	0	54	-1.0	-47.08	432.43	3.72	-43.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(=O)OC(C)(C)C)C1	REAL300020266828	1	54	-1.0	-47.06	432.49	3.74	-43.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020266829	0	56	-1.0	-41.78	441.12	6.16	-35.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020266829	1	56	-1.0	-41.82	441.18	6.18	-35.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020266830	0	53	-1.0	-42.91	419.61	5.38	-37.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020266830	1	53	-1.0	-42.89	419.67	5.40	-37.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(NC(=O)OC(C)(C)C)C1	REAL300020266831	0	56	-1.0	-42.65	425.40	6.01	-36.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(NC(=O)OC(C)(C)C)C1	REAL300020266831	1	56	-1.0	-42.71	425.46	6.02	-36.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(NC(=O)OC(C)(C)C)C1	REAL300020266832	0	53	-1.0	-45.34	413.09	4.92	-40.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(NC(=O)OC(C)(C)C)C1	REAL300020266832	1	53	-1.0	-45.33	413.15	4.95	-40.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(NC(=O)OC(C)(C)C)CC1	REAL300020266833	0	56	-1.0	-45.81	424.96	6.19	-39.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(NC(=O)OC(C)(C)C)CC1	REAL300020266833	1	56	-1.0	-45.82	425.02	6.22	-39.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020266834	0	44	-1.0	-48.32	361.36	3.23	-45.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020266834	1	44	-1.0	-48.28	361.42	3.24	-45.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020266835	0	41	-1.0	-48.39	344.37	2.54	-45.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020266835	1	41	-1.0	-48.45	344.43	2.57	-45.88
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020266836	0	48	-1.0	-49.64	390.24	5.28	-44.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020266836	1	48	-1.0	-49.54	390.28	5.27	-44.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020266837	0	45	-1.0	-49.35	361.12	4.46	-44.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020266837	1	45	-1.0	-49.33	361.17	4.48	-44.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020266838	0	42	-1.0	-50.22	348.86	3.29	-46.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020266838	1	42	-1.0	-50.20	348.91	3.32	-46.88
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020266839	0	49	-1.0	-50.24	393.40	6.51	-43.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020266839	1	49	-1.0	-50.27	393.43	6.50	-43.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020266840	0	45	-1.0	-48.64	365.05	3.47	-45.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020266840	1	45	-1.0	-48.62	365.11	3.49	-45.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020266841	0	42	-1.0	-50.46	339.90	2.78	-47.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020266841	1	42	-1.0	-50.49	339.96	2.81	-47.68
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020266842	0	49	-1.0	-52.03	382.31	5.53	-46.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020266842	1	49	-1.0	-52.00	382.34	5.51	-46.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020266843	0	43	-1.0	-46.22	348.16	2.92	-43.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020266843	1	43	-1.0	-46.23	348.22	2.94	-43.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020266844	0	40	-1.0	-46.44	330.51	2.29	-44.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020266844	1	40	-1.0	-46.43	330.45	2.26	-44.17
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020266845	0	47	-1.0	-48.57	373.78	5.19	-43.38
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020266845	1	47	-1.0	-48.56	373.83	5.20	-43.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020266846	0	45	-1.0	-53.26	367.79	3.07	-50.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020266846	1	45	-1.0	-53.27	367.84	3.09	-50.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020266847	0	42	-1.0	-55.79	345.87	2.47	-53.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020266847	1	42	-1.0	-55.76	345.93	2.48	-53.28
CCOC(=O)CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020266848	0	52	-1.0	-45.81	423.94	5.60	-40.21
CCOC(=O)CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020266848	1	52	-1.0	-45.82	424.00	5.62	-40.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020266849	0	48	-1.0	-43.01	388.78	4.58	-38.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020266849	1	48	-1.0	-43.03	388.84	4.59	-38.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020266850	0	45	-1.0	-45.15	371.48	3.90	-41.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020266850	1	45	-1.0	-45.13	371.53	3.92	-41.21
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020266851	0	52	-1.0	-45.01	421.22	6.67	-38.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020266851	1	52	-1.0	-44.97	421.26	6.66	-38.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2C(=O)NCC2CC2)CC1	REAL300020266852	0	57	-1.0	-43.46	452.78	8.08	-35.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2C(=O)NCC2CC2)CC1	REAL300020266852	1	57	-1.0	-43.49	452.84	8.09	-35.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2C(=O)NCC2CC2)CC1	REAL300020266853	0	54	-1.0	-45.93	433.30	7.30	-38.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2C(=O)NCC2CC2)CC1	REAL300020266853	1	54	-1.0	-45.95	433.36	7.32	-38.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020266854	0	46	-1.0	-45.77	389.00	4.95	-40.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020266854	1	46	-1.0	-45.78	389.05	4.97	-40.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020266855	0	43	-1.0	-45.98	367.50	4.17	-41.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020266855	1	43	-1.0	-45.97	367.55	4.19	-41.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020266856	0	45	-1.0	-45.42	361.73	3.53	-41.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020266856	1	45	-1.0	-45.35	361.79	3.55	-41.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020266857	0	42	-1.0	-45.94	344.44	2.67	-43.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020266857	1	42	-1.0	-45.96	344.50	2.68	-43.28
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020266858	0	49	-1.0	-49.26	381.94	5.51	-43.75
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020266858	1	49	-1.0	-49.35	381.97	5.50	-43.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020266859	0	42	-1.0	-39.81	349.16	7.18	-32.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020266859	1	42	-1.0	-39.79	349.22	7.19	-32.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020266860	0	39	-1.0	-42.43	327.47	6.57	-35.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020266860	1	39	-1.0	-42.43	327.53	6.59	-35.84
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020266861	0	46	-1.0	-42.53	374.65	9.21	-33.32
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020266861	1	46	-1.0	-42.48	374.68	9.19	-33.29
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020266862	0	40	-1.0	-44.92	331.66	7.66	-37.26
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020266862	1	40	-1.0	-44.87	331.68	7.66	-37.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020266863	0	51	0.0	-69.22	387.99	6.36	-62.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020266863	1	51	0.0	-69.19	388.04	6.37	-62.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020266864	0	48	0.0	-69.22	366.25	5.78	-63.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020266864	1	48	0.0	-69.25	366.30	5.80	-63.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020266865	0	55	0.0	-74.23	415.38	8.64	-65.59
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020266865	1	55	0.0	-74.28	415.42	8.64	-65.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=C(F)C=C2)CC1	REAL300020266866	0	50	-1.0	-49.73	410.10	7.56	-42.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=C(F)C=C2)CC1	REAL300020266866	1	50	-1.0	-49.70	410.15	7.59	-42.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2C(=O)NC3=CC=CC=C32)CC1	REAL300020266867	0	51	-1.0	-48.57	402.40	7.11	-41.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2C(=O)NC3=CC=CC=C32)CC1	REAL300020266867	1	51	-1.0	-48.56	402.45	7.12	-41.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C(Cl)=C2)C1	REAL300020266868	0	44	-1.0	-42.70	387.46	7.54	-35.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C(Cl)=C2)C1	REAL300020266868	1	44	-1.0	-42.68	387.52	7.56	-35.12
CCC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020266869	0	46	-1.0	-45.66	368.21	5.69	-39.97
CCC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020266869	1	46	-1.0	-45.71	368.26	5.71	-40.00
CCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020266870	0	43	-1.0	-48.23	350.41	5.02	-43.21
CCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020266870	1	43	-1.0	-48.21	350.47	5.05	-43.16
CCC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020266871	0	50	-1.0	-47.55	400.23	7.80	-39.75
CCC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020266871	1	50	-1.0	-47.50	400.28	7.79	-39.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C(F)=C2)C1	REAL300020266872	0	47	-1.0	-42.28	395.81	7.59	-34.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C(F)=C2)C1	REAL300020266872	1	47	-1.0	-42.25	395.87	7.60	-34.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C(F)=C2)C1	REAL300020266873	0	44	-1.0	-43.23	377.57	7.10	-36.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C(F)=C2)C1	REAL300020266873	1	44	-1.0	-43.22	377.63	7.12	-36.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020266874	0	48	-1.0	-40.74	380.81	3.32	-37.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020266874	1	48	-1.0	-40.78	380.86	3.33	-37.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020266875	0	45	-1.0	-42.71	359.17	2.54	-40.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020266875	1	45	-1.0	-42.72	359.22	2.57	-40.15
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1CCOCC1	REAL300020266876	0	52	-1.0	-42.73	408.99	5.30	-37.43
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1CCOCC1	REAL300020266876	1	52	-1.0	-42.67	409.03	5.28	-37.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020266877	0	47	-1.0	-41.56	388.38	7.78	-33.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020266877	1	47	-1.0	-41.59	388.44	7.80	-33.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020266878	0	44	-1.0	-44.50	369.73	7.08	-37.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020266878	1	44	-1.0	-44.47	369.79	7.10	-37.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020266879	0	47	-1.0	-43.76	384.81	7.58	-36.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020266879	1	47	-1.0	-43.81	384.86	7.60	-36.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020266880	0	44	-1.0	-45.74	371.28	7.05	-38.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020266880	1	44	-1.0	-45.75	371.34	7.07	-38.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020266881	0	45	-1.0	-40.14	345.27	7.25	-32.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020266881	1	45	-1.0	-40.19	345.32	7.26	-32.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020266882	0	49	-1.0	-42.35	369.58	9.12	-33.23
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020266882	1	49	-1.0	-42.33	369.64	9.10	-33.23
CCOC(=O)N(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020266883	0	53	-1.0	-43.47	417.27	7.10	-36.37
CCOC(=O)N(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020266883	1	53	-1.0	-43.44	417.32	7.11	-36.33
CCOC(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020266884	0	50	-1.0	-47.03	395.48	6.50	-40.53
CCOC(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020266884	1	50	-1.0	-47.04	395.53	6.51	-40.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Br)C=C1	REAL300020266885	0	42	-1.0	-42.83	373.53	8.49	-34.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Br)C=C1	REAL300020266885	1	42	-1.0	-42.82	373.59	8.52	-34.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020266886	0	58	0.0	-73.71	441.88	11.18	-62.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020266886	1	58	0.0	-72.13	442.67	11.00	-61.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300020266886	1	58	0.0	-73.73	441.93	11.21	-62.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300020266886	1	58	0.0	-72.10	442.73	11.00	-61.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020266887	0	48	-1.0	-42.92	390.54	9.35	-33.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020266887	1	48	-1.0	-42.93	390.60	9.37	-33.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020266888	0	45	-1.0	-42.11	367.47	8.75	-33.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020266888	1	45	-1.0	-42.09	367.41	8.73	-33.36
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020266889	0	52	-1.0	-43.42	413.71	11.42	-32.00
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020266889	1	52	-1.0	-43.35	413.76	11.41	-31.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020266890	0	54	-1.0	-41.84	420.55	9.01	-32.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020266890	1	54	-1.0	-41.90	420.61	9.03	-32.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020266891	0	51	-1.0	-42.71	399.05	8.22	-34.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020266891	1	51	-1.0	-42.71	399.11	8.24	-34.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+](CC)CC)CC1	REAL300020266892	0	58	0.0	-67.93	434.99	7.45	-60.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+](CC)CC)CC1	REAL300020266893	0	55	0.0	-68.92	421.79	7.04	-61.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020266894	0	56	0.0	-68.36	427.51	7.44	-60.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020266895	0	53	0.0	-66.48	409.62	7.00	-59.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020266896	0	39	-1.0	-47.03	331.39	2.07	-44.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020266896	1	39	-1.0	-47.10	331.45	2.09	-45.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020266897	0	36	-1.0	-48.06	313.52	1.40	-46.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020266897	1	36	-1.0	-48.12	313.58	1.43	-46.69
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020266898	0	43	-1.0	-50.21	357.49	4.41	-45.80
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020266898	1	43	-1.0	-50.18	357.53	4.40	-45.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2OC)CC1	REAL300020266899	0	55	-1.0	-42.22	420.98	6.82	-35.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2OC)CC1	REAL300020266899	1	55	-1.0	-42.22	421.04	6.83	-35.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2OC)CC1	REAL300020266899	1	56	0.0	-64.20	431.76	9.03	-55.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2OC)CC1	REAL300020266900	0	52	-1.0	-44.02	411.63	6.09	-37.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2OC)CC1	REAL300020266900	1	52	-1.0	-44.06	411.69	6.11	-37.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2OC)CC1	REAL300020266900	1	53	0.0	-63.66	409.94	8.41	-55.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020266901	0	42	-1.0	-40.38	352.22	7.68	-32.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020266901	1	42	-1.0	-40.38	352.28	7.70	-32.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020266902	0	39	-1.0	-42.11	342.56	6.95	-35.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020266902	1	39	-1.0	-42.10	342.51	6.92	-35.18
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020266903	0	46	-1.0	-42.33	384.95	9.78	-32.55
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020266903	1	46	-1.0	-42.30	384.97	9.77	-32.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020266904	0	41	-1.0	-40.60	338.42	5.26	-35.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020266904	1	41	-1.0	-40.60	338.48	5.28	-35.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020266905	0	38	-1.0	-41.71	328.15	4.54	-37.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020266905	1	38	-1.0	-41.69	328.09	4.52	-37.17
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020266906	0	45	-1.0	-42.41	380.59	7.49	-34.92
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020266906	1	45	-1.0	-42.39	380.63	7.48	-34.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020266907	0	40	-1.0	-39.88	317.35	5.92	-33.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020266907	1	40	-1.0	-39.84	317.41	5.93	-33.91
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)C1	REAL300020266908	0	44	-1.0	-41.71	360.79	8.74	-32.97
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)C1	REAL300020266908	1	44	-1.0	-41.65	360.83	8.74	-32.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NC(C)=C(C)O2)CC1	REAL300020266909	0	53	-1.0	-44.96	415.78	3.71	-41.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NC(C)=C(C)O2)CC1	REAL300020266909	1	53	-1.0	-44.96	415.84	3.72	-41.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NC(C)=C(C)O2)CC1	REAL300020266910	0	50	-1.0	-46.02	405.30	2.79	-43.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NC(C)=C(C)O2)CC1	REAL300020266910	1	50	-1.0	-46.07	405.36	2.82	-43.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CC=CC(OC)=C2)CC1	REAL300020266911	0	55	-1.0	-43.29	427.56	6.67	-36.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CC=CC(OC)=C2)CC1	REAL300020266911	1	55	-1.0	-43.34	427.62	6.69	-36.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC(OC)=C2)CC1	REAL300020266911	1	56	0.0	-64.35	435.03	8.74	-55.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020266912	0	42	-1.0	-40.17	363.47	8.19	-31.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020266912	1	42	-1.0	-40.17	363.53	8.20	-31.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020266913	0	39	-1.0	-43.94	345.24	7.52	-36.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020266913	1	39	-1.0	-43.93	345.19	7.49	-36.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020266914	0	46	-1.0	-43.74	390.77	10.55	-33.19
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020266914	1	46	-1.0	-43.69	390.81	10.55	-33.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020266915	0	50	-1.0	-42.70	410.36	6.96	-35.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020266915	1	50	-1.0	-42.72	410.42	6.97	-35.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020266916	0	47	-1.0	-44.81	384.81	6.23	-38.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020266916	1	47	-1.0	-44.78	384.86	6.25	-38.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020266917	0	50	-1.0	-42.12	404.11	6.63	-35.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020266917	1	50	-1.0	-42.12	404.17	6.64	-35.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020266918	0	47	-1.0	-44.21	382.78	5.85	-38.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020266918	1	47	-1.0	-44.26	382.83	5.88	-38.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020266919	0	42	-1.0	-40.09	355.83	6.84	-33.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020266919	1	42	-1.0	-40.11	355.88	6.85	-33.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020266920	0	39	-1.0	-41.97	334.45	6.07	-35.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020266920	1	39	-1.0	-41.97	334.39	6.05	-35.92
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020266921	0	46	-1.0	-41.97	383.98	8.88	-33.09
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020266921	1	46	-1.0	-41.98	384.02	8.87	-33.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC(F)F)C(OC)=C1	REAL300020266922	0	47	-1.0	-44.97	394.56	6.51	-38.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC(F)F)C(OC)=C1	REAL300020266922	1	47	-1.0	-44.95	394.62	6.53	-38.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020266923	0	42	-1.0	-41.55	363.17	8.02	-33.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020266923	1	42	-1.0	-41.58	363.22	8.03	-33.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020266924	0	39	-1.0	-46.95	337.75	7.37	-39.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020266924	1	39	-1.0	-46.95	337.82	7.40	-39.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020266925	0	45	-1.0	-39.62	390.07	8.79	-30.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020266925	1	45	-1.0	-39.63	390.13	8.81	-30.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020266926	0	42	-1.0	-40.95	368.47	8.04	-32.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020266926	1	42	-1.0	-40.99	368.53	8.06	-32.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020266927	0	51	-1.0	-48.70	404.85	6.19	-42.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020266927	1	51	-1.0	-48.75	404.91	6.20	-42.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020266928	0	48	-1.0	-48.57	382.43	5.58	-42.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020266928	1	48	-1.0	-48.59	382.49	5.61	-42.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3O2)CC1	REAL300020266929	0	51	-1.0	-44.31	414.79	6.81	-37.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3O2)CC1	REAL300020266929	1	51	-1.0	-44.32	414.85	6.82	-37.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3O2)CC1	REAL300020266930	0	48	-1.0	-45.99	397.58	5.94	-40.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3O2)CC1	REAL300020266930	1	48	-1.0	-46.02	397.63	5.96	-40.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020266931	0	50	-1.0	-48.07	387.57	7.63	-40.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020266931	1	50	-1.0	-48.11	387.62	7.65	-40.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020266932	0	47	-1.0	-46.89	382.35	7.09	-39.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020266932	1	47	-1.0	-46.89	382.41	7.11	-39.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020266933	0	42	-1.0	-39.92	355.05	8.27	-31.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020266933	1	42	-1.0	-39.95	355.11	8.29	-31.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020266934	0	39	-1.0	-41.00	346.53	7.57	-33.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020266934	1	39	-1.0	-41.01	346.47	7.55	-33.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020266935	0	46	-1.0	-41.90	389.16	10.37	-31.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020266935	1	46	-1.0	-41.81	389.16	10.36	-31.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020266936	0	42	-1.0	-39.53	383.54	8.73	-30.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020266936	1	42	-1.0	-39.54	383.60	8.74	-30.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020266937	0	39	-1.0	-41.58	357.98	8.00	-33.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020266937	1	39	-1.0	-41.57	358.04	8.02	-33.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020266938	0	46	-1.0	-40.74	381.38	8.29	-32.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020266938	1	46	-1.0	-40.72	381.44	8.30	-32.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020266939	0	43	-1.0	-41.61	374.22	7.54	-34.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020266939	1	43	-1.0	-41.62	374.28	7.56	-34.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020266940	0	43	-1.0	-49.66	351.60	2.84	-46.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020266940	1	43	-1.0	-49.69	351.65	2.85	-46.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020266941	0	40	-1.0	-50.84	330.45	2.03	-48.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020266941	1	40	-1.0	-50.86	330.40	2.00	-48.86
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020266942	0	47	-1.0	-52.94	369.25	4.85	-48.09
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020266942	1	47	-1.0	-52.99	369.29	4.84	-48.15
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020266943	0	39	-1.0	-40.04	333.91	6.02	-34.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020266943	1	39	-1.0	-40.04	333.97	6.03	-34.01
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CO1	REAL300020266944	0	43	-1.0	-42.01	362.06	8.06	-33.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CO1	REAL300020266944	1	43	-1.0	-41.94	362.10	8.05	-33.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3S2)CC1	REAL300020266945	0	48	-1.0	-45.14	402.89	8.46	-36.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3S2)CC1	REAL300020266945	1	48	-1.0	-45.13	402.95	8.48	-36.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020266946	0	48	-1.0	-42.37	396.07	6.92	-35.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020266946	1	48	-1.0	-42.32	396.13	6.93	-35.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020266947	0	45	-1.0	-43.84	374.24	6.19	-37.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020266947	1	45	-1.0	-43.86	374.30	6.22	-37.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3S2)C1	REAL300020266948	0	48	-1.0	-45.90	404.89	8.52	-37.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3S2)C1	REAL300020266948	1	48	-1.0	-45.92	404.95	8.55	-37.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300020266949	0	48	-1.0	-42.85	403.69	6.88	-35.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300020266949	1	48	-1.0	-42.88	403.76	6.90	-35.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020266950	0	51	0.0	-66.24	379.52	8.05	-58.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020266950	1	51	0.0	-66.28	379.58	8.06	-58.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020266951	0	48	0.0	-62.70	370.45	7.30	-55.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020266951	1	48	0.0	-62.69	370.51	7.33	-55.36
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020266952	0	55	0.0	-69.96	418.79	10.09	-59.87
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020266952	1	55	0.0	-69.96	418.83	10.08	-59.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020266953	0	49	-1.0	-39.44	377.91	8.48	-30.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020266953	1	49	-1.0	-39.40	377.97	8.50	-30.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020266954	0	46	-1.0	-42.11	352.40	7.76	-34.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020266954	1	46	-1.0	-42.09	352.46	7.77	-34.32
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCC2C1	REAL300020266955	0	53	-1.0	-41.31	401.73	10.53	-30.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCC2C1	REAL300020266955	1	53	-1.0	-41.26	401.77	10.53	-30.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(C#N)C=C2)CC1	REAL300020266956	0	52	-1.0	-44.61	426.53	7.59	-37.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(C#N)C=C2)CC1	REAL300020266956	1	52	-1.0	-44.59	426.59	7.61	-36.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C#N)C=C2)CC1	REAL300020266956	1	53	0.0	-82.37	420.09	9.85	-72.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(C#N)C=C2)CC1	REAL300020266957	0	49	-1.0	-46.20	408.69	6.93	-39.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(C#N)C=C2)CC1	REAL300020266957	1	49	-1.0	-46.21	408.75	6.96	-39.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C#N)C=C2)CC1	REAL300020266957	1	50	0.0	-80.38	406.79	9.18	-71.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020266958	0	52	-1.0	-41.19	401.68	4.95	-36.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020266958	1	52	-1.0	-41.21	401.74	4.96	-36.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020266958	1	53	0.0	-65.84	402.67	7.09	-58.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020266959	0	49	-1.0	-43.00	383.85	4.27	-38.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020266959	1	49	-1.0	-43.02	383.91	4.29	-38.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020266959	1	50	0.0	-65.35	380.83	6.50	-58.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020266960	0	55	0.0	-68.77	429.55	10.15	-58.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020266960	1	54	-1.0	-41.18	427.10	7.87	-33.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020266960	1	54	-1.0	-41.18	427.16	7.88	-33.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020266961	0	51	-1.0	-43.20	409.28	7.20	-36.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020266961	1	52	0.0	-68.04	407.75	9.53	-58.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020266961	1	51	-1.0	-43.16	409.33	7.23	-35.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020266962	0	46	-1.0	-45.30	385.86	4.57	-40.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020266962	1	46	-1.0	-45.31	385.91	4.59	-40.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020266963	0	43	-1.0	-46.12	364.32	3.84	-42.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020266963	1	43	-1.0	-46.09	364.26	3.82	-42.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020266964	0	48	-1.0	-60.51	395.64	5.46	-55.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020266964	1	48	-1.0	-60.47	395.59	5.45	-55.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020266965	0	45	-1.0	-61.79	379.21	4.51	-57.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020266965	1	45	-1.0	-61.78	379.15	4.48	-57.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020266966	0	54	0.0	-66.32	395.78	8.38	-57.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020266966	1	54	0.0	-66.33	395.84	8.40	-57.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020266967	0	51	0.0	-64.71	374.33	7.67	-57.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020266967	1	51	0.0	-64.73	374.38	7.70	-57.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020266968	0	58	0.0	-69.89	424.45	10.25	-59.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020266968	1	58	0.0	-69.86	424.49	10.24	-59.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020266969	0	53	-1.0	-40.20	420.09	9.16	-31.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020266969	1	53	-1.0	-40.19	420.15	9.17	-31.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020266970	0	50	-1.0	-42.77	398.13	8.55	-34.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020266970	1	50	-1.0	-42.74	398.19	8.56	-34.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=C(C)C=N2)CC1	REAL300020266971	0	52	-1.0	-49.75	420.76	7.69	-42.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=C(C)C=N2)CC1	REAL300020266971	1	52	-1.0	-49.76	420.71	7.68	-42.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2=CC=C(C)C=N2)C1	REAL300020266972	0	52	-1.0	-60.82	421.16	7.71	-53.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2=CC=C(C)C=N2)C1	REAL300020266972	1	52	-1.0	-60.80	421.10	7.69	-53.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020266973	0	44	-2.0	-87.63	382.89	3.62	-84.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020266973	1	44	-2.0	-87.64	382.83	3.60	-84.04
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020266974	0	45	-1.0	-39.82	350.95	7.51	-32.31
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020266974	1	45	-1.0	-39.82	351.01	7.53	-32.29
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020266975	0	49	-1.0	-42.73	371.28	9.50	-33.23
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020266975	1	49	-1.0	-42.69	371.32	9.49	-33.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020266976	0	42	-1.0	-45.79	354.85	5.86	-39.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020266976	1	42	-1.0	-45.72	354.79	5.84	-39.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020266977	0	39	-1.0	-48.91	329.21	5.13	-43.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020266977	1	39	-1.0	-48.90	329.16	5.12	-43.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1C=CC=N1	REAL300020266978	0	46	-1.0	-48.33	377.14	7.98	-40.35
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1C=CC=N1	REAL300020266978	1	46	-1.0	-48.28	377.10	8.00	-40.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020266979	0	50	-1.0	-50.03	393.98	7.70	-42.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020266979	1	50	-1.0	-50.04	394.04	7.72	-42.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020266980	0	47	-1.0	-51.16	389.53	6.97	-44.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC(F)=C2)CC1	REAL300020266980	1	47	-1.0	-51.16	389.58	7.00	-44.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020266981	0	56	0.0	-71.55	412.41	7.55	-64.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020266981	1	56	0.0	-71.46	412.35	7.53	-63.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020266982	0	53	0.0	-68.19	402.98	6.80	-61.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020266982	1	53	0.0	-68.20	403.04	6.82	-61.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020266983	0	46	-1.0	-39.70	369.60	5.90	-33.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020266983	1	46	-1.0	-39.74	369.65	5.92	-33.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020266984	0	43	-1.0	-41.92	348.40	5.07	-36.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020266984	1	43	-1.0	-41.89	348.46	5.09	-36.80
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020266985	0	50	-1.0	-41.63	396.94	7.85	-33.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020266985	1	50	-1.0	-41.58	396.99	7.83	-33.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020266986	0	52	-1.0	-39.71	383.40	9.02	-30.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020266986	1	52	-1.0	-39.73	383.46	9.03	-30.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020266987	0	49	-1.0	-41.75	365.67	8.35	-33.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020266987	1	49	-1.0	-41.73	365.73	8.38	-33.35
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020266988	0	56	-1.0	-41.58	414.87	11.32	-30.26
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020266988	1	56	-1.0	-41.61	414.91	11.31	-30.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020266989	0	49	0.0	-63.08	381.37	7.98	-55.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020266989	1	48	-1.0	-39.52	375.15	5.66	-33.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020266989	1	48	-1.0	-39.54	375.21	5.67	-33.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020266990	0	46	0.0	-61.29	350.84	7.36	-53.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020266990	1	46	0.0	-61.28	350.89	7.38	-53.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020266990	1	45	-1.0	-41.84	357.33	4.99	-36.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020266990	1	45	-1.0	-41.86	357.39	5.02	-36.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020266991	0	53	0.0	-68.52	409.25	10.14	-58.38
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020266991	1	52	-1.0	-42.14	398.41	7.83	-34.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020266992	0	48	-1.0	-43.49	390.71	4.88	-38.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020266992	1	48	-1.0	-43.48	390.66	4.86	-38.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020266993	0	45	-1.0	-46.70	365.64	4.21	-42.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020266993	1	45	-1.0	-46.67	365.58	4.18	-42.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020266994	0	58	0.0	-65.82	415.92	9.32	-56.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020266994	1	58	0.0	-65.86	415.97	9.34	-56.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020266995	0	55	0.0	-62.17	393.39	8.88	-53.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020266995	1	55	0.0	-62.16	393.45	8.88	-53.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020266996	0	48	-1.0	-41.63	401.06	7.44	-34.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020266996	1	48	-1.0	-41.62	401.12	7.45	-34.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020266997	0	45	-1.0	-43.80	379.39	6.66	-37.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020266997	1	45	-1.0	-43.78	379.45	6.69	-37.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)C(F)F)CC1	REAL300020266998	0	47	-1.0	-45.98	394.25	5.74	-40.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)C(F)F)CC1	REAL300020266998	1	47	-1.0	-45.97	394.31	5.76	-40.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)C(F)F)CC1	REAL300020266999	0	44	-1.0	-48.68	373.49	4.93	-43.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)C(F)F)CC1	REAL300020266999	1	44	-1.0	-48.67	373.55	4.95	-43.72
CCOCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267000	0	49	-1.0	-39.57	391.46	6.87	-32.70
CCOCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267000	1	49	-1.0	-39.59	391.52	6.88	-32.71
CCOCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267001	0	46	-1.0	-41.76	370.25	6.04	-35.72
CCOCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267001	1	46	-1.0	-41.75	370.31	6.06	-35.69
CCOCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020267002	0	53	-1.0	-41.36	418.80	8.81	-32.55
CCOCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020267002	1	53	-1.0	-41.39	418.84	8.80	-32.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020267003	0	43	-1.0	-49.22	366.67	0.91	-48.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020267003	1	43	-1.0	-49.28	366.73	0.92	-48.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020267004	0	40	-1.0	-51.05	349.37	0.23	-50.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020267004	1	40	-1.0	-51.04	349.42	0.25	-50.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020267005	0	47	-1.0	-51.27	399.12	3.01	-48.26
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020267005	1	47	-1.0	-51.30	399.16	3.00	-48.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020267006	0	52	-1.0	-41.32	404.33	10.36	-30.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020267006	1	52	-1.0	-41.30	404.39	10.38	-30.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020267007	0	49	-1.0	-43.53	378.74	9.64	-33.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020267007	1	49	-1.0	-43.50	378.80	9.65	-33.85
CCN1C=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C=N1	REAL300020267008	0	45	-1.0	-42.49	376.64	6.43	-36.06
CCN1C=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C=N1	REAL300020267008	1	45	-1.0	-42.51	376.58	6.42	-36.09
CCN1C=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C=N1	REAL300020267009	0	42	-1.0	-43.62	354.73	5.70	-37.92
CCN1C=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C=N1	REAL300020267009	1	42	-1.0	-43.58	354.67	5.67	-37.91
CCN1C=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C=N1	REAL300020267010	0	49	-1.0	-44.48	397.42	8.47	-36.01
CCN1C=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C=N1	REAL300020267010	1	49	-1.0	-44.57	397.38	8.48	-36.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020267011	0	45	-1.0	-39.96	351.98	7.74	-32.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020267011	1	45	-1.0	-39.98	352.04	7.76	-32.22
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020267012	0	49	-1.0	-43.18	365.15	9.01	-34.17
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020267012	1	49	-1.0	-43.13	365.17	9.00	-34.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020267013	0	49	-1.0	-41.67	396.91	9.70	-31.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020267013	1	49	-1.0	-41.67	396.97	9.72	-31.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020267014	0	46	-1.0	-44.32	375.27	9.09	-35.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020267014	1	46	-1.0	-44.30	375.31	9.11	-35.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020267015	0	44	-1.0	-46.96	353.33	5.64	-41.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020267015	1	44	-1.0	-46.94	353.39	5.65	-41.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020267016	0	41	-1.0	-51.01	330.28	4.38	-46.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020267016	1	41	-1.0	-51.07	330.33	4.41	-46.66
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020267017	0	48	-1.0	-49.78	379.70	7.17	-42.61
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020267017	1	48	-1.0	-49.80	379.73	7.16	-42.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020267018	0	46	-1.0	-46.49	368.56	5.27	-41.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020267018	1	46	-1.0	-46.44	368.50	5.26	-41.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020267019	0	43	-1.0	-45.23	365.54	5.06	-40.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020267019	1	43	-1.0	-45.25	365.48	5.04	-40.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020267020	0	45	-1.0	-45.21	367.02	6.67	-38.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020267020	1	45	-1.0	-45.22	367.07	6.69	-38.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020267021	0	42	-1.0	-49.89	344.65	6.24	-43.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020267021	1	42	-1.0	-49.88	344.71	6.26	-43.62
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020267022	0	49	-1.0	-48.02	394.53	8.94	-39.08
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020267022	1	49	-1.0	-48.00	394.57	8.93	-39.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020267023	0	50	-1.0	-41.14	408.13	8.53	-32.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020267023	1	50	-1.0	-41.17	408.19	8.54	-32.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020267024	0	47	-1.0	-43.08	387.29	7.53	-35.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020267024	1	47	-1.0	-43.04	387.35	7.55	-35.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020267025	0	53	-1.0	-41.66	430.37	9.11	-32.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020267025	1	53	-1.0	-41.60	430.42	9.12	-32.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020267026	0	50	-1.0	-43.83	408.88	8.33	-35.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020267026	1	50	-1.0	-43.83	408.94	8.36	-35.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020267027	0	46	-1.0	-42.07	362.03	5.81	-36.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020267027	1	46	-1.0	-42.14	362.09	5.82	-36.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020267028	0	43	-1.0	-43.31	340.53	5.01	-38.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020267028	1	43	-1.0	-43.35	340.59	5.04	-38.31
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020267029	0	50	-1.0	-44.50	389.65	7.76	-36.74
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020267029	1	50	-1.0	-44.45	389.75	7.74	-36.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020267030	0	49	-1.0	-39.32	381.32	6.36	-32.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020267030	1	49	-1.0	-39.30	381.37	6.38	-32.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020267031	0	46	-1.0	-41.53	359.17	5.88	-35.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020267031	1	46	-1.0	-41.51	359.22	5.90	-35.61
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020267032	0	53	-1.0	-41.92	407.60	8.64	-33.28
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020267032	1	53	-1.0	-41.86	407.65	8.63	-33.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020267033	0	50	-1.0	-41.52	386.46	7.08	-34.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020267033	1	50	-1.0	-41.50	386.52	7.09	-34.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020267034	0	47	-1.0	-42.62	361.87	6.47	-36.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020267034	1	47	-1.0	-42.62	361.92	6.49	-36.13
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020267035	0	54	-1.0	-42.16	415.82	9.25	-32.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020267035	1	54	-1.0	-42.19	415.86	9.24	-32.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020267036	0	46	-1.0	-43.72	381.84	6.02	-37.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020267036	1	46	-1.0	-43.75	381.90	6.03	-37.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020267037	0	43	-1.0	-44.24	360.32	5.23	-39.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020267037	1	43	-1.0	-44.25	360.38	5.26	-38.99
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020267038	0	50	-1.0	-45.49	409.89	7.76	-37.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020267038	1	50	-1.0	-45.49	409.90	7.76	-37.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020267039	0	49	-1.0	-39.86	395.40	9.44	-30.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020267039	1	49	-1.0	-39.88	395.45	9.46	-30.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020267040	0	46	-1.0	-42.06	378.69	8.87	-33.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020267040	1	46	-1.0	-42.07	378.63	8.85	-33.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020267041	0	43	-1.0	-46.69	352.07	7.24	-39.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020267041	1	43	-1.0	-46.65	352.13	7.26	-39.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020267042	0	40	-1.0	-49.78	329.68	6.55	-43.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020267042	1	40	-1.0	-49.77	329.74	6.58	-43.19
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020267043	0	47	-1.0	-49.54	380.16	9.20	-40.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020267043	1	47	-1.0	-49.54	380.20	9.20	-40.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CC)C1	REAL300020267044	0	48	-1.0	-39.67	366.93	8.02	-31.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CC)C1	REAL300020267044	1	48	-1.0	-39.67	366.99	8.03	-31.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CC)C1	REAL300020267045	0	45	-1.0	-42.46	340.64	7.42	-35.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CC)C1	REAL300020267045	1	45	-1.0	-42.50	340.70	7.44	-35.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(CC)C1	REAL300020267046	0	52	-1.0	-42.17	390.46	10.17	-32.00
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(CC)C1	REAL300020267046	1	52	-1.0	-42.04	390.50	10.16	-31.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020267047	0	48	-1.0	-40.43	391.56	9.30	-31.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020267047	1	48	-1.0	-40.46	391.62	9.32	-31.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020267048	0	45	-1.0	-42.66	373.51	8.67	-33.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020267048	1	45	-1.0	-42.65	373.57	8.69	-33.96
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020267049	0	52	-1.0	-43.16	416.44	11.49	-31.67
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020267049	1	52	-1.0	-43.16	416.48	11.48	-31.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020267050	0	45	-1.0	-42.66	365.64	6.98	-35.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020267050	1	45	-1.0	-42.63	365.69	7.00	-35.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020267051	0	42	-1.0	-43.24	344.14	6.20	-37.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020267051	1	42	-1.0	-43.27	344.19	6.22	-37.05
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020267052	0	49	-1.0	-43.71	394.63	8.85	-34.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020267052	1	49	-1.0	-43.65	394.66	8.84	-34.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020267053	0	49	-1.0	-40.43	372.79	8.98	-31.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020267053	1	49	-1.0	-40.42	372.84	8.99	-31.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020267054	0	46	-1.0	-42.60	354.81	8.21	-34.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020267054	1	46	-1.0	-42.61	354.86	8.23	-34.38
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020267055	0	53	-1.0	-42.98	394.46	10.85	-32.13
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020267055	1	53	-1.0	-42.98	394.49	10.84	-32.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020267056	0	40	-1.0	-43.01	328.54	4.02	-38.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020267056	1	40	-1.0	-43.04	328.60	4.04	-39.00
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020267057	0	44	-1.0	-45.00	353.94	6.21	-38.79
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020267057	1	44	-1.0	-44.97	354.03	6.19	-38.78
CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267058	0	46	-1.0	-41.29	366.75	6.00	-35.29
CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267058	1	46	-1.0	-41.31	366.81	6.01	-35.30
CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267059	0	43	-1.0	-42.95	348.99	5.33	-37.62
CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267059	1	43	-1.0	-42.93	349.05	5.36	-37.57
CCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020267060	0	50	-1.0	-44.60	387.85	8.17	-36.43
CCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020267060	1	50	-1.0	-44.61	387.89	8.17	-36.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020267061	0	46	-1.0	-40.84	391.37	7.85	-32.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020267061	1	46	-1.0	-40.86	391.43	7.86	-33.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020267062	0	43	-1.0	-43.08	369.88	7.07	-36.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020267062	1	43	-1.0	-43.07	369.93	7.09	-35.98
CCC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)C=C1	REAL300020267063	0	53	-1.0	-46.38	425.22	8.53	-37.85
CCC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020267063	1	53	-1.0	-46.37	425.28	8.55	-37.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020267064	0	49	0.0	-66.98	372.17	8.14	-58.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020267064	1	49	0.0	-66.97	372.23	8.16	-58.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020267065	0	46	0.0	-64.04	362.80	7.41	-56.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020267065	1	46	0.0	-64.07	362.86	7.43	-56.64
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020267066	0	53	0.0	-70.86	411.35	10.20	-60.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020267066	1	53	0.0	-70.82	411.40	10.19	-60.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020267067	0	53	-1.0	-42.13	426.65	9.71	-32.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020267067	1	53	-1.0	-42.15	426.70	9.73	-32.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020267068	0	50	-1.0	-43.82	405.13	8.93	-34.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020267068	1	50	-1.0	-43.80	405.19	8.95	-34.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020267069	0	46	-1.0	-43.93	386.32	6.46	-37.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020267069	1	46	-1.0	-43.94	386.38	6.48	-37.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020267070	0	43	-1.0	-45.30	368.56	5.80	-39.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020267070	1	43	-1.0	-45.25	368.62	5.82	-39.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020267071	0	56	-1.0	-42.38	398.15	9.23	-33.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020267071	1	56	-1.0	-42.35	398.20	9.25	-33.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020267072	0	53	-1.0	-42.91	376.14	8.54	-34.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020267072	1	53	-1.0	-42.94	376.21	8.55	-34.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020267073	0	44	-1.0	-40.76	363.88	6.33	-34.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020267073	1	44	-1.0	-40.77	363.93	6.35	-34.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020267074	0	41	-1.0	-41.21	342.02	5.62	-35.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020267074	1	41	-1.0	-41.23	341.97	5.60	-35.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020267075	0	48	-1.0	-43.17	385.06	8.42	-34.75
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020267075	1	48	-1.0	-43.13	385.09	8.41	-34.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020267076	0	44	-1.0	-49.39	369.59	8.63	-40.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020267076	1	44	-1.0	-49.44	369.64	8.64	-40.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020267077	0	41	-1.0	-52.80	350.69	7.91	-44.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020267077	1	41	-1.0	-52.81	350.64	7.89	-44.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020267078	0	48	-1.0	-42.33	406.12	8.46	-33.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020267078	1	48	-1.0	-42.34	406.18	8.47	-33.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020267079	0	45	-1.0	-43.41	384.52	7.70	-35.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020267079	1	45	-1.0	-43.41	384.58	7.73	-35.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCCO2)CC1	REAL300020267080	0	57	-1.0	-41.55	441.54	7.55	-34.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCCO2)CC1	REAL300020267080	1	57	-1.0	-41.53	441.60	7.56	-33.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCCO2)CC1	REAL300020267081	0	54	-1.0	-43.43	424.52	6.69	-36.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCCO2)CC1	REAL300020267081	1	54	-1.0	-43.48	424.58	6.71	-36.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCCC2=CC=CC=C2)C1	REAL300020267082	0	56	-1.0	-42.28	448.18	10.12	-32.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCCC2=CC=CC=C2)C1	REAL300020267082	1	56	-1.0	-42.27	448.24	10.13	-32.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCCC2=CC=CC=C2)C1	REAL300020267083	0	53	-1.0	-46.14	421.27	9.44	-36.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCCC2=CC=CC=C2)C1	REAL300020267083	1	53	-1.0	-46.16	421.33	9.46	-36.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020267084	0	50	-1.0	-41.94	397.81	8.56	-33.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020267084	1	50	-1.0	-41.97	397.87	8.57	-33.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020267085	0	47	-1.0	-43.83	370.77	7.87	-35.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020267085	1	47	-1.0	-43.81	370.83	7.90	-35.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2OC)CC1	REAL300020267086	0	54	-1.0	-44.38	431.64	7.99	-36.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2OC)CC1	REAL300020267086	1	54	-1.0	-44.37	431.71	8.00	-36.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(=O)N2CCCC2)CC1	REAL300020267087	0	55	-1.0	-49.69	427.67	4.97	-44.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(=O)N2CCCC2)CC1	REAL300020267087	1	55	-1.0	-49.69	427.73	4.98	-44.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020267088	0	48	-1.0	-49.71	391.77	4.54	-45.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020267088	1	48	-1.0	-49.75	391.83	4.56	-45.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020267089	0	45	-1.0	-49.69	370.27	3.77	-45.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020267089	1	45	-1.0	-49.68	370.33	3.80	-45.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020267090	0	41	-1.0	-42.73	358.59	5.76	-36.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020267090	1	41	-1.0	-42.75	358.65	5.77	-36.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020267091	0	38	-1.0	-44.53	337.05	4.98	-39.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020267091	1	38	-1.0	-44.54	337.11	5.01	-39.53
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=NC=CS1	REAL300020267092	0	45	-1.0	-44.49	386.77	7.75	-36.74
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=NC=CS1	REAL300020267092	1	45	-1.0	-44.52	386.81	7.74	-36.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC=C2F)CC1	REAL300020267093	0	50	-1.0	-45.01	400.17	6.39	-38.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC=C2F)CC1	REAL300020267093	1	50	-1.0	-44.98	400.23	6.41	-38.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020267094	0	45	-1.0	-41.48	386.27	9.07	-32.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020267094	1	45	-1.0	-41.49	386.33	9.08	-32.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020267095	0	42	-1.0	-42.87	368.97	8.39	-34.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020267095	1	42	-1.0	-42.89	369.03	8.41	-34.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@@H+]2CCCCC2C)CC1	REAL300020267096	0	61	0.0	-68.89	446.42	10.40	-58.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@H+]2CCCCC2C)CC1	REAL300020267096	1	61	0.0	-67.16	439.33	10.03	-57.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@@H+]2CCCCC2C)CC1	REAL300020267096	1	61	0.0	-68.95	446.47	10.43	-58.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@H+]2CCCCC2C)CC1	REAL300020267096	1	61	0.0	-67.22	439.39	10.06	-57.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2Cl)CC1	REAL300020267097	0	46	-1.0	-45.75	400.05	7.77	-37.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2Cl)CC1	REAL300020267097	1	46	-1.0	-45.74	400.11	7.79	-37.95
CCOC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267098	0	51	-1.0	-41.58	401.74	8.08	-33.50
CCOC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267098	1	51	-1.0	-41.64	401.80	8.10	-33.54
CCOC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267099	0	48	-1.0	-44.77	379.94	7.46	-37.31
CCOC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267099	1	48	-1.0	-44.80	380.00	7.49	-37.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC[NH+](C(C)C)CC2)CC1	REAL300020267100	0	60	0.0	-68.01	433.48	6.62	-61.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC[NH+](C(C)C)CC2)CC1	REAL300020267100	1	60	0.0	-67.99	433.54	6.64	-61.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)CC1	REAL300020267101	0	60	0.0	-66.31	436.31	7.29	-59.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)CC1	REAL300020267101	1	60	0.0	-66.29	436.36	7.32	-58.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C(C)C)CC2)CC1	REAL300020267101	1	60	0.0	-67.49	433.30	7.06	-60.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C(C)C)CC2)CC1	REAL300020267101	1	60	0.0	-67.53	433.36	7.09	-60.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@H+](CC)CC(C)C)CC1	REAL300020267102	0	63	0.0	-67.94	462.22	10.81	-57.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC[N@@H+](CC)CC(C)C)CC1	REAL300020267102	1	63	0.0	-68.09	461.69	10.78	-57.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@H+](CC)CC(C)C)CC1	REAL300020267102	1	63	0.0	-67.95	462.27	10.82	-57.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[N@@H+](CC)CC(C)C)CC1	REAL300020267102	1	63	0.0	-68.09	461.75	10.79	-57.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020267103	0	52	-1.0	-41.15	421.08	8.63	-32.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020267103	1	52	-1.0	-41.15	421.14	8.65	-32.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020267104	0	49	-1.0	-42.85	399.47	7.88	-34.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020267104	1	49	-1.0	-42.81	399.53	7.91	-34.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020267105	0	43	-1.0	-41.80	360.99	8.32	-33.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020267105	1	43	-1.0	-41.82	361.05	8.34	-33.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020267106	0	40	-1.0	-43.48	340.82	7.69	-35.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020267106	1	40	-1.0	-43.48	340.76	7.66	-35.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020267107	0	47	-1.0	-45.39	377.10	9.50	-35.89
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020267107	1	47	-1.0	-45.37	377.12	9.49	-35.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020267108	0	47	-1.0	-40.90	398.36	7.71	-33.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020267108	1	47	-1.0	-40.88	398.42	7.73	-33.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020267109	0	44	-1.0	-45.36	370.43	7.06	-38.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020267109	1	44	-1.0	-45.40	370.48	7.09	-38.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2Cl)CC1	REAL300020267110	0	45	-1.0	-43.33	385.77	7.45	-35.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2Cl)CC1	REAL300020267110	1	45	-1.0	-43.35	385.83	7.47	-35.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(F)C=CC=C2OC)CC1	REAL300020267111	0	49	-1.0	-46.53	394.84	5.96	-40.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(F)C=CC=C2OC)CC1	REAL300020267111	1	49	-1.0	-46.54	394.90	5.98	-40.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2Cl)C1	REAL300020267112	0	47	-1.0	-48.14	392.83	8.45	-39.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2Cl)C1	REAL300020267112	1	47	-1.0	-48.13	392.88	8.47	-39.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020267113	0	47	-1.0	-40.46	359.05	5.72	-34.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020267113	1	47	-1.0	-40.47	359.10	5.73	-34.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020267114	0	44	-1.0	-42.72	343.09	5.14	-37.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020267114	1	44	-1.0	-42.73	343.14	5.16	-37.57
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020267115	0	51	-1.0	-44.85	377.77	7.17	-37.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020267115	1	51	-1.0	-44.83	377.80	7.16	-37.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020267116	0	54	-1.0	-40.48	412.45	4.74	-35.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020267116	1	54	-1.0	-40.50	412.51	4.76	-35.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020267116	1	55	0.0	-65.40	418.31	6.96	-58.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020267116	1	55	0.0	-65.52	414.50	6.83	-58.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020267117	0	51	-1.0	-42.12	395.15	4.06	-38.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020267117	1	51	-1.0	-42.11	395.21	4.09	-38.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020267117	1	52	0.0	-61.50	392.66	6.23	-55.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020267117	1	52	0.0	-65.69	396.64	6.19	-59.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020267118	0	52	-1.0	-41.88	390.09	4.10	-37.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020267118	1	52	-1.0	-41.90	390.15	4.12	-37.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020267118	1	53	0.0	-64.11	391.67	6.41	-57.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020267119	0	49	-1.0	-44.61	364.52	4.20	-40.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020267119	1	49	-1.0	-44.59	364.58	4.22	-40.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020267119	1	50	0.0	-64.87	373.47	5.76	-59.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020267120	0	60	0.0	-64.20	441.40	7.05	-57.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020267120	1	60	0.0	-64.24	441.46	7.06	-57.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020267121	0	57	0.0	-65.40	417.48	6.05	-59.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020267121	1	57	0.0	-65.35	417.53	6.06	-59.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(C)C)C1	REAL300020267122	0	46	-1.0	-38.88	370.24	7.85	-31.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020267122	1	46	-1.0	-38.88	370.29	7.86	-31.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(C)C)C1	REAL300020267123	0	43	-1.0	-40.42	349.25	6.87	-33.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020267123	1	43	-1.0	-40.44	349.30	6.89	-33.55
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C(C)C)C1	REAL300020267124	0	50	-1.0	-41.16	396.36	9.85	-31.31
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C(C)C)C1	REAL300020267124	1	50	-1.0	-41.09	396.38	9.83	-31.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020267125	0	49	-1.0	-46.60	394.28	7.68	-38.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020267125	1	49	-1.0	-46.62	394.23	7.66	-38.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020267126	0	46	-1.0	-49.26	372.78	6.90	-42.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020267126	1	46	-1.0	-49.24	372.73	6.88	-42.36
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CCC1C1=CC=CC=C1	REAL300020267127	0	55	-1.0	-41.30	406.31	10.39	-30.91
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CCC1C1=CC=CC=C1	REAL300020267127	1	55	-1.0	-41.27	406.37	10.41	-30.86
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CCC1C1=CC=CC=C1	REAL300020267128	0	52	-1.0	-43.64	384.81	9.61	-34.03
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CCC1C1=CC=CC=C1	REAL300020267128	1	52	-1.0	-43.69	384.87	9.63	-34.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020267129	0	47	-1.0	-42.81	368.34	5.20	-37.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020267129	1	47	-1.0	-42.81	368.40	5.21	-37.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020267130	0	44	-1.0	-43.50	360.66	4.78	-38.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020267130	1	44	-1.0	-43.52	360.72	4.80	-38.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C(C)OCC(C)C)=NO1	REAL300020267131	0	53	-1.0	-41.79	440.37	4.88	-36.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C(C)OCC(C)C)=NO1	REAL300020267131	1	53	-1.0	-41.78	440.43	4.90	-36.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020267132	0	47	-1.0	-48.38	382.16	3.52	-44.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020267132	1	47	-1.0	-48.36	382.22	3.53	-44.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020267133	0	44	-1.0	-48.80	360.66	2.73	-46.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020267133	1	44	-1.0	-48.83	360.72	2.76	-46.07
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020267134	0	51	-1.0	-51.79	403.28	5.40	-46.39
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020267134	1	51	-1.0	-51.78	403.32	5.39	-46.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020267135	0	42	-1.0	-44.51	347.20	5.97	-38.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020267135	1	42	-1.0	-44.51	347.25	5.98	-38.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020267136	0	39	-1.0	-45.20	320.37	5.29	-39.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020267136	1	39	-1.0	-45.21	320.41	5.32	-39.89
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020267137	0	46	-1.0	-46.64	374.94	7.95	-38.69
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020267137	1	46	-1.0	-46.64	374.98	7.94	-38.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)N2CCCC2)CC1	REAL300020267138	0	51	-1.0	-44.97	407.27	4.89	-40.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)N2CCCC2)CC1	REAL300020267138	1	51	-1.0	-44.96	407.33	4.92	-40.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020267139	0	50	-1.0	-40.26	374.95	7.26	-33.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020267139	1	50	-1.0	-40.24	375.01	7.28	-32.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020267140	0	47	-1.0	-42.83	358.66	6.68	-36.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020267140	1	47	-1.0	-42.83	358.71	6.70	-36.13
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020267141	0	54	-1.0	-43.15	400.12	9.37	-33.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020267141	1	54	-1.0	-43.17	400.15	9.37	-33.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(C(C)C)C=C2)CC1	REAL300020267142	0	56	-1.0	-42.41	436.93	9.80	-32.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(C(C)C)C=C2)CC1	REAL300020267142	1	56	-1.0	-42.38	436.98	9.81	-32.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020267143	0	50	-1.0	-42.64	396.47	10.22	-32.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020267143	1	50	-1.0	-42.67	396.52	10.23	-32.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020267144	0	47	-1.0	-44.05	386.63	9.44	-34.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020267144	1	47	-1.0	-44.08	386.68	9.46	-34.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020267145	0	52	-1.0	-42.92	416.68	10.52	-32.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020267145	1	52	-1.0	-42.93	416.74	10.54	-32.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020267146	0	49	-1.0	-44.99	394.23	9.84	-35.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020267146	1	49	-1.0	-44.97	394.29	9.86	-35.11
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020267147	0	44	-1.0	-42.74	340.57	5.97	-36.77
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020267147	1	44	-1.0	-42.67	340.60	5.96	-36.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C(N)=O)C2=CC=CC=C2)CC1	REAL300020267148	0	52	-1.0	-50.41	422.08	3.59	-46.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C(N)=O)C2=CC=CC=C2)CC1	REAL300020267148	1	52	-1.0	-50.42	422.14	3.61	-46.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020267149	0	53	-1.0	-43.10	414.89	6.77	-36.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020267149	1	53	-1.0	-43.06	414.95	6.78	-36.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020267150	0	50	-1.0	-45.16	397.48	6.07	-39.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020267150	1	50	-1.0	-45.19	397.54	6.08	-39.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020267151	0	52	-1.0	-45.03	417.39	8.31	-36.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020267151	1	52	-1.0	-45.01	417.44	8.32	-36.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020267152	0	49	-1.0	-46.83	398.72	7.81	-39.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020267152	1	49	-1.0	-46.83	398.78	7.84	-38.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020267153	0	52	-1.0	-46.72	420.45	8.61	-38.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020267153	1	52	-1.0	-46.75	420.51	8.63	-38.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020267154	0	49	-1.0	-50.40	399.56	7.62	-42.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020267154	1	49	-1.0	-50.41	399.62	7.64	-42.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020267155	0	41	-1.0	-40.27	354.97	5.63	-34.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020267155	1	41	-1.0	-40.23	355.02	5.65	-34.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020267156	0	38	-1.0	-41.90	337.04	5.01	-36.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020267156	1	38	-1.0	-41.88	336.99	4.98	-36.90
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020267157	0	45	-1.0	-42.94	379.69	7.78	-35.16
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020267157	1	45	-1.0	-42.88	379.76	7.77	-35.11
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020267158	0	43	-1.0	-42.46	345.24	8.47	-33.99
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020267158	1	43	-1.0	-42.39	345.27	8.46	-33.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(C)C(F)=C2)CC1	REAL300020267159	0	50	-1.0	-45.68	410.56	7.62	-38.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(C)C(F)=C2)CC1	REAL300020267159	1	50	-1.0	-45.72	410.61	7.65	-38.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020267160	0	49	-1.0	-41.40	404.32	8.17	-33.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020267160	1	49	-1.0	-41.40	404.38	8.18	-33.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020267161	0	46	-1.0	-43.44	381.85	7.40	-36.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020267161	1	46	-1.0	-43.46	381.90	7.42	-36.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N2CCC(C)CC2)CC1	REAL300020267162	0	56	-1.0	-44.26	429.88	7.96	-36.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N2CCC(C)CC2)CC1	REAL300020267162	1	56	-1.0	-44.22	429.94	7.99	-36.23
CCCCN(C)C(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267163	0	58	-1.0	-45.44	446.38	8.72	-36.72
CCCCN(C)C(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267163	1	58	-1.0	-45.44	446.43	8.73	-36.71
CCCCN(C)C(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267164	0	55	-1.0	-45.38	424.88	7.94	-37.44
CCCCN(C)C(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267164	1	55	-1.0	-45.40	424.93	7.96	-37.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020267165	0	42	-1.0	-40.99	359.11	7.87	-33.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020267165	1	42	-1.0	-40.99	359.17	7.89	-33.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020267166	0	39	-1.0	-45.07	337.37	7.09	-37.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020267166	1	39	-1.0	-45.02	337.31	7.07	-37.95
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020267167	0	46	-1.0	-42.95	374.04	9.81	-33.14
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020267167	1	46	-1.0	-42.91	374.09	9.80	-33.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020267168	0	52	-1.0	-41.81	424.81	8.73	-33.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020267168	1	52	-1.0	-41.76	424.87	8.75	-33.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020267169	0	49	-1.0	-43.75	403.02	7.97	-35.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020267169	1	49	-1.0	-43.77	403.08	7.99	-35.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC(Cl)=C1	REAL300020267170	0	49	-1.0	-40.86	416.24	8.65	-32.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC(Cl)=C1	REAL300020267170	1	49	-1.0	-40.87	416.30	8.67	-32.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC(Cl)=C1	REAL300020267171	0	46	-1.0	-42.82	398.94	7.97	-34.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC(Cl)=C1	REAL300020267171	1	46	-1.0	-42.84	399.00	8.00	-34.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020267172	0	52	-1.0	-41.30	423.85	8.99	-32.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020267172	1	52	-1.0	-41.30	423.90	9.01	-32.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020267173	0	49	-1.0	-43.16	402.29	8.21	-34.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020267173	1	49	-1.0	-43.19	402.34	8.23	-34.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=C(Cl)C=C1	REAL300020267174	0	49	-1.0	-40.71	416.24	8.65	-32.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=C(Cl)C=C1	REAL300020267174	1	49	-1.0	-40.69	416.30	8.67	-32.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=C(Cl)C=C1	REAL300020267175	0	46	-1.0	-42.46	398.94	7.97	-34.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=C(Cl)C=C1	REAL300020267175	1	46	-1.0	-42.47	399.00	8.00	-34.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=C(C)OC(C)=C2)CC1	REAL300020267176	0	53	-1.0	-44.93	423.63	7.32	-37.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=C(C)OC(C)=C2)CC1	REAL300020267176	1	53	-1.0	-44.93	423.68	7.34	-37.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=C(C)OC(C)=C2)CC1	REAL300020267177	0	50	-1.0	-45.30	406.69	6.66	-38.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=C(C)OC(C)=C2)CC1	REAL300020267177	1	50	-1.0	-45.30	406.75	6.69	-38.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020267178	0	57	0.0	-67.71	419.44	9.14	-58.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020267178	1	57	0.0	-67.47	421.79	9.38	-58.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020267178	1	57	0.0	-67.76	419.49	9.15	-58.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020267178	1	57	0.0	-67.42	421.85	9.40	-58.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020267179	0	54	0.0	-66.24	404.47	8.52	-57.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020267179	1	54	0.0	-67.33	404.77	8.52	-58.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020267179	1	54	0.0	-66.23	404.52	8.54	-57.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020267179	1	54	0.0	-67.34	404.83	8.55	-58.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020267180	0	47	-1.0	-46.65	384.97	6.64	-40.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020267180	1	47	-1.0	-46.63	385.03	6.66	-39.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020267181	0	44	-1.0	-48.69	374.80	5.89	-42.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020267181	1	44	-1.0	-48.68	374.87	5.92	-42.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(C)NC3=CC=CC=C32)CC1	REAL300020267182	0	53	-1.0	-44.15	416.36	9.44	-34.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(C)NC3=CC=CC=C32)CC1	REAL300020267182	1	53	-1.0	-44.19	416.42	9.47	-34.72
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(C)C	REAL300020267183	0	48	-1.0	-41.32	381.14	8.90	-32.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(C)C	REAL300020267183	1	48	-1.0	-41.35	381.18	8.89	-32.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020267184	0	42	-1.0	-44.15	344.04	6.14	-38.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020267184	1	42	-1.0	-44.14	344.10	6.15	-37.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020267185	0	39	-1.0	-44.51	322.54	5.36	-39.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020267185	1	39	-1.0	-44.54	322.60	5.38	-39.16
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020267186	0	46	-1.0	-46.16	372.42	8.11	-38.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020267186	1	46	-1.0	-46.23	372.48	8.10	-38.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCC2=CC=CC=C2)CC1	REAL300020267187	0	56	-1.0	-40.71	446.84	10.15	-30.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCC2=CC=CC=C2)CC1	REAL300020267187	1	56	-1.0	-40.80	446.90	10.16	-30.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCC2=CC=CC=C2)CC1	REAL300020267188	0	53	-1.0	-42.22	425.34	9.36	-32.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCC2=CC=CC=C2)CC1	REAL300020267188	1	53	-1.0	-42.20	425.40	9.39	-32.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020267189	0	44	-1.0	-43.83	360.01	4.76	-39.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020267189	1	44	-1.0	-43.81	360.07	4.77	-39.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020267190	0	41	-1.0	-45.86	342.60	4.07	-41.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020267190	1	41	-1.0	-45.89	342.66	4.09	-41.80
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020267191	0	48	-1.0	-47.36	381.48	6.92	-40.44
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020267191	1	48	-1.0	-47.39	381.52	6.91	-40.48
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020267192	0	48	-1.0	-42.65	369.21	8.20	-34.45
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020267192	1	48	-1.0	-42.66	369.25	8.19	-34.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020267193	0	57	0.0	-67.93	417.40	9.01	-58.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020267193	1	57	0.0	-67.96	417.46	9.02	-58.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020267194	0	54	0.0	-64.89	408.03	8.27	-56.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020267194	1	54	0.0	-64.90	408.09	8.30	-56.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(Br)=C1	REAL300020267195	0	39	-1.0	-38.64	363.40	7.49	-31.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(Br)=C1	REAL300020267195	1	39	-1.0	-38.67	363.46	7.51	-31.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(Br)=C1	REAL300020267196	0	36	-1.0	-40.81	341.73	6.76	-34.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(Br)=C1	REAL300020267196	1	36	-1.0	-40.85	341.79	6.79	-34.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020267197	0	49	-1.0	-43.87	394.99	7.37	-36.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020267197	1	49	-1.0	-43.90	395.05	7.38	-36.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020267198	0	46	-1.0	-46.74	373.48	6.58	-40.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020267198	1	46	-1.0	-46.75	373.54	6.62	-40.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCCOC)C1	REAL300020267199	0	50	-1.0	-43.48	403.31	5.57	-37.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCCOC)C1	REAL300020267199	1	50	-1.0	-43.43	403.37	5.58	-37.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCOC)C1	REAL300020267200	0	47	-1.0	-47.86	382.91	4.61	-43.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCOC)C1	REAL300020267200	1	47	-1.0	-47.88	382.97	4.63	-43.25
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OCCOC)C1	REAL300020267201	0	54	-1.0	-46.42	421.47	7.44	-38.98
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OCCOC)C1	REAL300020267201	1	54	-1.0	-46.40	421.52	7.43	-38.97
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020267202	0	43	-1.0	-42.46	345.24	8.47	-33.99
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020267202	1	43	-1.0	-42.39	345.27	8.46	-33.93
CCSC(C)C1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)=N1	REAL300020267203	0	50	-1.0	-40.81	428.97	5.84	-34.97
CCSC(C)C1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)=N1	REAL300020267203	1	50	-1.0	-40.80	429.02	5.86	-34.94
CCSC(C)C1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)=N1	REAL300020267204	0	47	-1.0	-42.01	407.21	5.30	-36.71
CCSC(C)C1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)=N1	REAL300020267204	1	47	-1.0	-42.02	407.27	5.32	-36.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)CCCOC)CC1	REAL300020267205	0	51	-1.0	-47.31	426.31	2.57	-44.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)CCCOC)CC1	REAL300020267205	1	51	-1.0	-47.28	426.36	2.59	-44.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020267206	0	52	-1.0	-41.36	396.45	9.49	-31.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020267206	1	52	-1.0	-41.39	396.51	9.51	-31.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020267207	0	49	-1.0	-44.64	371.76	8.81	-35.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020267207	1	49	-1.0	-44.60	371.81	8.83	-35.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020267208	0	44	-1.0	-41.00	373.54	7.08	-33.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020267208	1	44	-1.0	-41.04	373.60	7.10	-33.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020267209	0	41	-1.0	-43.81	351.75	6.48	-37.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020267209	1	41	-1.0	-43.82	351.81	6.50	-37.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020267210	0	56	0.0	-63.55	419.45	9.61	-53.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020267210	1	56	0.0	-64.55	406.89	9.10	-55.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020267210	1	56	0.0	-63.55	419.51	9.62	-53.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020267210	1	56	0.0	-64.59	406.95	9.11	-55.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020267211	0	53	0.0	-64.69	391.21	8.55	-56.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020267211	1	53	0.0	-63.51	393.11	8.70	-54.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020267211	1	53	0.0	-64.71	391.27	8.57	-56.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020267211	1	53	0.0	-63.50	393.17	8.72	-54.78
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020267212	0	46	-1.0	-42.47	367.49	9.34	-33.13
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020267212	1	46	-1.0	-42.42	367.54	9.33	-33.09
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267213	0	50	-1.0	-43.49	396.27	5.58	-37.91
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267213	1	50	-1.0	-43.50	396.33	5.60	-37.90
CCOCCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267214	0	47	-1.0	-47.31	374.19	5.04	-42.27
CCOCCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267214	1	47	-1.0	-47.32	374.25	5.06	-42.26
CCOCCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020267215	0	54	-1.0	-45.20	425.82	7.54	-37.66
CCOCCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020267215	1	54	-1.0	-45.15	425.85	7.53	-37.62
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCOC	REAL300020267216	0	46	-1.0	-41.83	375.74	6.69	-35.14
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCOC	REAL300020267216	1	46	-1.0	-41.84	375.79	6.68	-35.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020267217	0	49	-1.0	-47.48	385.14	6.41	-41.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020267217	1	49	-1.0	-47.49	385.20	6.42	-41.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020267218	0	46	-1.0	-50.08	362.86	5.77	-44.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020267218	1	46	-1.0	-50.11	362.91	5.78	-44.33
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020267219	0	53	-1.0	-49.43	412.41	8.35	-41.08
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020267219	1	53	-1.0	-49.44	412.44	8.35	-41.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020267220	0	43	-1.0	-38.73	357.69	7.24	-31.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020267220	1	43	-1.0	-38.71	357.75	7.25	-31.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020267221	0	40	-1.0	-40.68	330.90	6.70	-33.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020267221	1	40	-1.0	-40.67	330.96	6.73	-33.94
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)SC(C)C1	REAL300020267222	0	47	-1.0	-40.98	384.93	9.20	-31.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)SC(C)C1	REAL300020267222	1	47	-1.0	-40.92	384.96	9.18	-31.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020267223	0	61	0.0	-65.79	453.46	10.79	-55.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020267223	1	61	0.0	-65.77	453.52	10.80	-54.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020267224	0	58	0.0	-61.15	431.56	9.96	-51.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020267224	1	58	0.0	-61.12	431.62	9.99	-51.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020267225	0	61	0.0	-63.97	434.72	10.07	-53.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020267225	1	61	0.0	-64.06	449.87	10.45	-53.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020267225	1	61	0.0	-63.96	434.78	10.08	-53.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020267225	1	61	0.0	-64.07	449.92	10.47	-53.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020267226	0	58	0.0	-62.42	417.04	9.62	-52.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020267226	1	58	0.0	-61.84	427.44	9.85	-51.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020267226	1	58	0.0	-62.40	417.09	9.64	-52.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020267226	1	58	0.0	-61.83	427.50	9.88	-51.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020267227	0	40	-1.0	-41.79	341.75	4.42	-37.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020267227	1	40	-1.0	-41.79	341.81	4.43	-37.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020267228	0	37	-1.0	-43.49	320.31	3.65	-39.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020267228	1	37	-1.0	-43.46	320.25	3.63	-39.83
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020267229	0	44	-1.0	-45.52	359.29	6.06	-39.46
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020267229	1	44	-1.0	-45.50	359.31	6.05	-39.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2F)CC1	REAL300020267230	0	49	-1.0	-44.60	415.37	7.78	-36.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2F)CC1	REAL300020267230	1	49	-1.0	-44.62	415.43	7.79	-36.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2F)CC1	REAL300020267231	0	46	-1.0	-46.56	390.32	7.10	-39.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2F)CC1	REAL300020267231	1	46	-1.0	-46.56	390.38	7.13	-39.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020267232	0	49	0.0	-63.79	371.84	7.75	-56.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020267232	1	49	0.0	-62.65	376.25	7.68	-54.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020267232	1	49	0.0	-63.80	371.90	7.77	-56.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020267232	1	49	0.0	-62.64	376.31	7.70	-54.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020267233	0	46	0.0	-65.20	333.83	6.60	-58.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020267233	1	46	0.0	-61.08	350.86	6.96	-54.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020267233	1	46	0.0	-65.20	333.78	6.58	-58.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020267233	1	46	0.0	-61.06	350.80	6.94	-54.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020267233	1	45	-1.0	-42.11	331.01	4.33	-37.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2CCCCC2C1	REAL300020267233	1	45	-1.0	-42.13	331.07	4.35	-37.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020267234	0	53	0.0	-67.58	404.59	9.66	-57.92
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020267234	1	53	0.0	-69.83	398.42	9.82	-60.01
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020267234	1	53	0.0	-67.64	404.54	9.67	-57.97
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020267234	1	53	0.0	-69.79	398.38	9.83	-59.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020267235	0	49	-1.0	-41.23	405.92	8.20	-33.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020267235	1	49	-1.0	-41.22	405.98	8.22	-33.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020267236	0	46	-1.0	-42.94	388.62	7.52	-35.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020267236	1	46	-1.0	-42.96	388.68	7.55	-35.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020267237	0	55	-1.0	-39.38	426.90	8.32	-31.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020267237	1	55	-1.0	-39.38	426.96	8.34	-31.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020267238	0	52	-1.0	-40.92	404.50	7.64	-33.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020267238	1	52	-1.0	-40.91	404.56	7.66	-33.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=C(C)C=CC=C2C)CC1	REAL300020267239	0	56	-1.0	-40.61	438.32	9.95	-30.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=C(C)C=CC=C2C)CC1	REAL300020267239	1	56	-1.0	-40.64	438.37	9.96	-30.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=C(C)C=CC=C2C)CC1	REAL300020267240	0	53	-1.0	-43.03	416.06	9.33	-33.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=C(C)C=CC=C2C)CC1	REAL300020267240	1	53	-1.0	-43.03	416.12	9.34	-33.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020267241	0	45	-1.0	-40.13	390.32	8.76	-31.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020267241	1	45	-1.0	-40.12	390.38	8.78	-31.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020267242	0	42	-1.0	-41.48	368.47	8.03	-33.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020267242	1	42	-1.0	-41.48	368.54	8.05	-33.43
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C	REAL300020267243	0	45	-1.0	-42.28	357.12	8.75	-33.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C	REAL300020267243	1	45	-1.0	-42.25	357.16	8.74	-33.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020267244	0	53	-1.0	-42.07	421.78	9.08	-32.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020267244	1	53	-1.0	-42.07	421.84	9.09	-32.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020267245	0	50	-1.0	-44.19	400.29	8.28	-35.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020267245	1	50	-1.0	-44.18	400.34	8.31	-35.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020267246	0	45	-1.0	-43.94	366.74	8.02	-35.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020267246	1	45	-1.0	-43.91	366.69	8.00	-35.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020267247	0	42	-1.0	-45.38	344.90	7.41	-37.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020267247	1	42	-1.0	-45.37	344.84	7.39	-37.98
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020267248	0	49	-1.0	-48.13	386.47	10.17	-37.96
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020267248	1	49	-1.0	-48.11	386.43	10.19	-37.92
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020267249	0	42	-1.0	-42.48	336.19	7.79	-34.69
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020267249	1	42	-1.0	-42.47	336.24	7.78	-34.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020267250	0	51	-1.0	-42.77	416.31	10.76	-32.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020267250	1	51	-1.0	-42.72	416.36	10.78	-31.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020267251	0	48	-1.0	-45.78	394.52	10.01	-35.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020267251	1	48	-1.0	-45.75	394.57	10.03	-35.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC(C2=CC=CC=C2)=NO1	REAL300020267252	0	51	-1.0	-47.09	428.76	9.82	-37.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC(C2=CC=CC=C2)=NO1	REAL300020267252	1	51	-1.0	-47.13	428.71	9.80	-37.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC[NH+]2C(C)CCC2C)CC1	REAL300020267253	0	60	0.0	-64.56	441.40	6.74	-57.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC[NH+]2C(C)CCC2C)CC1	REAL300020267253	1	60	0.0	-64.56	441.46	6.76	-57.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020267254	0	45	-1.0	-39.43	357.31	7.58	-31.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020267254	1	45	-1.0	-39.46	357.36	7.60	-31.86
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCC1	REAL300020267255	0	49	-1.0	-42.42	378.72	9.66	-32.76
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCC1	REAL300020267255	1	49	-1.0	-42.41	378.74	9.66	-32.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CNC3=CC(F)=CC=C23)CC1	REAL300020267256	0	50	-1.0	-46.06	408.06	9.30	-36.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CNC3=CC(F)=CC=C23)CC1	REAL300020267256	1	50	-1.0	-46.06	408.11	9.32	-36.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020267257	0	44	-1.0	-52.00	386.50	5.63	-46.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020267257	1	44	-1.0	-52.01	386.55	5.64	-46.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020267258	0	41	-1.0	-51.38	364.99	4.84	-46.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020267258	1	41	-1.0	-51.40	365.05	4.87	-46.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC(C)=N2)CC1	REAL300020267259	0	50	-1.0	-43.38	412.63	4.95	-38.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC(C)=N2)CC1	REAL300020267259	1	50	-1.0	-43.37	412.69	4.97	-38.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC(C)=N2)CC1	REAL300020267260	0	47	-1.0	-45.74	395.22	4.27	-41.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC(C)=N2)CC1	REAL300020267260	1	47	-1.0	-45.79	395.28	4.30	-41.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCOCC2)CC1	REAL300020267261	0	53	-1.0	-48.14	406.96	5.06	-43.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCOCC2)CC1	REAL300020267261	1	53	-1.0	-48.17	407.02	5.07	-43.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCOCC2)CC1	REAL300020267262	0	50	-1.0	-49.92	390.53	4.15	-45.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCOCC2)CC1	REAL300020267262	1	50	-1.0	-49.93	390.59	4.18	-45.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCCC2)CC1	REAL300020267263	0	55	-1.0	-47.64	416.05	7.52	-40.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCCC2)CC1	REAL300020267263	1	55	-1.0	-47.61	416.11	7.54	-40.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCCC2)CC1	REAL300020267264	0	52	-1.0	-49.68	399.61	6.58	-43.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCCC2)CC1	REAL300020267264	1	52	-1.0	-49.64	399.67	6.61	-43.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020267265	0	52	-1.0	-46.53	404.94	6.26	-40.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020267265	1	52	-1.0	-46.56	405.00	6.28	-40.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020267266	0	49	-1.0	-47.99	382.99	5.65	-42.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020267266	1	49	-1.0	-47.98	383.05	5.68	-42.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CN2CCOCC2)CC1	REAL300020267267	0	53	-1.0	-48.92	416.84	2.93	-45.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CN2CCOCC2)CC1	REAL300020267267	1	53	-1.0	-48.93	416.90	2.96	-45.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=NN(C)C3=NC=N2)CC1	REAL300020267268	0	49	-1.0	-45.80	401.90	6.24	-39.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=NN(C)C3=NC=N2)CC1	REAL300020267268	1	49	-1.0	-45.83	401.85	6.22	-39.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2=CC=CC=C2)CC1	REAL300020267269	0	52	-1.0	-53.27	422.42	5.14	-48.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2=CC=CC=C2)CC1	REAL300020267269	1	52	-1.0	-53.29	422.48	5.17	-48.12
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267270	0	43	-1.0	-41.22	356.37	4.76	-36.46
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267270	1	43	-1.0	-41.20	356.42	4.78	-36.42
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267271	0	40	-1.0	-43.04	334.95	4.00	-39.04
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267271	1	40	-1.0	-43.04	334.89	3.98	-39.06
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020267272	0	47	-1.0	-42.82	384.71	6.77	-36.05
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020267272	1	47	-1.0	-42.86	384.76	6.76	-36.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020267273	0	48	-1.0	-43.40	403.21	6.87	-36.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020267273	1	48	-1.0	-43.44	403.15	6.86	-36.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020267274	0	45	-1.0	-46.28	378.14	6.20	-40.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020267274	1	45	-1.0	-46.31	378.08	6.18	-40.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020267275	0	42	-1.0	-40.29	358.61	7.73	-32.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020267275	1	42	-1.0	-40.34	358.67	7.74	-32.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020267276	0	39	-1.0	-41.25	333.33	7.08	-34.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020267276	1	39	-1.0	-41.27	333.28	7.05	-34.22
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020267277	0	46	-1.0	-43.90	387.28	10.10	-33.80
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020267277	1	46	-1.0	-43.92	387.33	10.09	-33.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020267278	0	45	-1.0	-43.83	375.51	9.73	-34.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020267278	1	45	-1.0	-43.87	375.57	9.74	-34.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020267279	0	42	-1.0	-44.54	354.01	8.94	-35.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020267279	1	42	-1.0	-44.55	354.07	8.97	-35.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC(F)(F)F	REAL300020267280	0	46	-1.0	-40.94	391.09	7.83	-33.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC(F)(F)F	REAL300020267280	1	46	-1.0	-40.95	391.14	7.85	-33.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC(F)(F)F	REAL300020267281	0	43	-1.0	-43.70	369.59	7.05	-36.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC(F)(F)F	REAL300020267281	1	43	-1.0	-43.70	369.65	7.07	-36.63
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CCO1	REAL300020267282	0	43	-1.0	-40.21	348.97	5.31	-34.90
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CCO1	REAL300020267282	1	43	-1.0	-40.27	349.03	5.33	-34.94
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CCO1	REAL300020267283	0	47	-1.0	-42.53	361.30	6.79	-35.74
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CCO1	REAL300020267283	1	47	-1.0	-42.47	361.33	6.78	-35.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=CSC3=NC=N2)CC1	REAL300020267284	0	46	-1.0	-43.69	388.05	6.84	-36.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=CSC3=NC=N2)CC1	REAL300020267284	1	46	-1.0	-43.75	388.00	6.82	-36.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020267285	0	47	-1.0	-41.69	383.35	7.43	-34.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020267285	1	47	-1.0	-41.75	383.40	7.45	-34.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020267286	0	44	-1.0	-43.97	364.67	7.01	-36.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020267286	1	44	-1.0	-43.93	364.72	7.04	-36.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020267287	0	48	-1.0	-39.36	371.51	8.30	-31.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020267287	1	48	-1.0	-39.39	371.57	8.32	-31.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020267288	0	45	-1.0	-42.15	353.72	7.63	-34.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020267288	1	45	-1.0	-42.15	353.78	7.66	-34.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCCC1	REAL300020267289	0	52	-1.0	-42.17	396.48	10.51	-31.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCCC1	REAL300020267289	1	52	-1.0	-42.15	396.49	10.50	-31.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020267290	0	55	0.0	-65.88	406.85	9.11	-56.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020267290	1	55	0.0	-65.89	406.90	9.12	-56.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020267291	0	52	0.0	-64.71	389.83	8.25	-56.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020267291	1	52	0.0	-64.73	389.89	8.27	-56.46
C#CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020267292	0	38	-1.0	-41.39	327.98	7.40	-33.99
C#CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020267292	1	38	-1.0	-41.39	328.02	7.39	-34.00
C=CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020267293	0	40	-1.0	-41.43	333.83	7.43	-34.00
C=CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020267293	1	40	-1.0	-41.41	333.87	7.42	-33.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020267294	0	50	-1.0	-41.18	398.46	7.57	-33.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020267294	1	50	-1.0	-41.18	398.52	7.59	-33.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020267295	0	47	-1.0	-44.34	380.08	7.11	-37.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020267295	1	47	-1.0	-44.36	380.14	7.13	-37.23
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020267296	0	54	-1.0	-42.64	429.91	9.86	-32.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020267296	1	54	-1.0	-42.62	429.95	9.85	-32.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020267297	0	49	-1.0	-45.48	404.93	8.54	-36.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020267297	1	49	-1.0	-45.50	404.99	8.55	-36.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)C(=O)C1	REAL300020267298	0	50	-1.0	-42.95	412.97	8.29	-34.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)C(=O)C1	REAL300020267298	1	50	-1.0	-42.94	413.02	8.30	-34.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)C(=O)C1	REAL300020267299	0	47	-1.0	-44.00	391.47	7.49	-36.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)C(=O)C1	REAL300020267299	1	47	-1.0	-44.01	391.53	7.51	-36.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020267300	0	43	-1.0	-40.80	333.70	6.93	-33.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020267300	1	43	-1.0	-40.82	333.76	6.94	-33.88
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020267301	0	47	-1.0	-42.58	361.42	8.89	-33.69
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020267301	1	47	-1.0	-42.57	361.45	8.88	-33.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020267302	0	52	-1.0	-41.53	401.51	4.46	-37.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020267302	1	52	-1.0	-41.54	401.56	4.48	-37.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020267302	1	53	0.0	-71.28	397.27	6.65	-64.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020267303	0	49	-1.0	-44.54	377.45	3.90	-40.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020267303	1	49	-1.0	-44.55	377.50	3.92	-40.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020267303	1	50	0.0	-70.78	374.57	6.19	-64.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020267304	0	52	-1.0	-40.08	408.60	10.20	-29.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020267304	1	52	-1.0	-40.07	408.65	10.21	-29.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020267305	0	49	-1.0	-41.93	381.24	9.37	-32.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020267305	1	49	-1.0	-41.97	381.29	9.40	-32.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020267306	0	54	-1.0	-41.91	414.19	10.41	-31.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020267306	1	54	-1.0	-41.92	414.24	10.42	-31.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020267307	0	51	-1.0	-42.85	398.29	9.60	-33.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020267307	1	51	-1.0	-42.82	398.35	9.63	-33.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020267308	0	48	-1.0	-39.77	368.03	7.98	-31.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020267308	1	48	-1.0	-39.82	368.08	8.00	-31.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020267309	0	45	-1.0	-42.84	346.22	7.36	-35.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020267309	1	45	-1.0	-42.83	346.28	7.39	-35.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)C)CC1	REAL300020267310	0	52	-1.0	-42.68	388.24	9.96	-32.72
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)C)CC1	REAL300020267310	1	52	-1.0	-42.63	388.28	9.95	-32.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020267311	0	43	-1.0	-40.71	362.86	5.82	-34.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020267311	1	43	-1.0	-40.74	362.92	5.83	-34.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020267312	0	40	-1.0	-42.07	336.67	5.29	-36.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020267312	1	40	-1.0	-42.09	336.73	5.32	-36.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020267313	0	55	0.0	-63.95	405.98	8.95	-55.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020267313	1	55	0.0	-63.92	406.04	8.96	-54.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020267314	0	52	0.0	-61.47	378.94	8.25	-53.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020267314	1	52	0.0	-61.52	378.99	8.28	-53.24
CCOC(=O)CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267315	0	54	-1.0	-45.72	431.97	9.31	-36.41
CCOC(=O)CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267315	1	54	-1.0	-45.73	432.03	9.32	-36.41
CCOC(=O)CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267316	0	51	-1.0	-49.17	411.11	8.32	-40.85
CCOC(=O)CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267316	1	51	-1.0	-49.13	411.17	8.35	-40.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020267317	0	48	-1.0	-50.23	388.58	6.53	-43.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020267317	1	48	-1.0	-50.24	388.53	6.52	-43.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020267318	0	45	-1.0	-50.36	362.06	6.00	-44.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020267318	1	45	-1.0	-50.35	362.01	5.98	-44.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020267319	0	47	-1.0	-43.25	380.72	5.65	-37.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020267319	1	47	-1.0	-43.26	380.78	5.66	-37.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020267320	0	44	-1.0	-44.19	363.66	4.99	-39.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020267320	1	44	-1.0	-44.17	363.73	5.01	-39.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020267321	0	49	-1.0	-48.53	389.58	6.00	-42.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020267321	1	49	-1.0	-48.51	389.64	6.01	-42.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020267322	0	46	-1.0	-48.82	370.82	5.46	-43.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020267322	1	46	-1.0	-48.87	370.88	5.46	-43.41
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020267323	0	53	-1.0	-50.25	414.43	8.30	-41.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020267323	1	53	-1.0	-50.26	414.46	8.29	-41.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)C1	REAL300020267324	0	47	-1.0	-43.58	378.90	4.78	-38.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)C1	REAL300020267324	1	47	-1.0	-43.63	378.96	4.79	-38.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)C1	REAL300020267325	0	44	-1.0	-47.81	352.00	4.09	-43.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)C1	REAL300020267325	1	44	-1.0	-47.80	352.05	4.12	-43.68
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCCOC)C1	REAL300020267326	0	51	-1.0	-45.57	407.29	6.75	-38.82
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCCOC)C1	REAL300020267326	1	51	-1.0	-45.53	407.34	6.74	-38.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020267327	0	42	-1.0	-40.87	353.13	7.11	-33.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020267327	1	42	-1.0	-40.91	353.19	7.12	-33.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020267328	0	39	-1.0	-42.08	331.94	6.27	-35.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020267328	1	39	-1.0	-42.11	332.00	6.30	-35.81
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020267329	0	46	-1.0	-42.67	381.22	9.22	-33.45
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020267329	1	46	-1.0	-42.67	381.27	9.21	-33.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020267330	0	47	-1.0	-52.85	370.42	6.28	-46.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020267330	1	47	-1.0	-52.90	370.48	6.30	-46.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020267331	0	44	-1.0	-49.05	344.39	5.67	-43.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020267331	1	44	-1.0	-49.07	344.45	5.69	-43.38
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020267332	0	51	-1.0	-49.05	396.24	8.14	-40.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020267332	1	51	-1.0	-49.08	396.27	8.13	-40.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020267333	0	48	-1.0	-43.64	399.23	7.90	-35.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020267333	1	48	-1.0	-43.65	399.29	7.92	-35.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020267334	0	45	-1.0	-44.66	385.72	7.36	-37.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020267334	1	45	-1.0	-44.67	385.77	7.39	-37.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020267335	0	47	-1.0	-42.09	375.90	5.39	-36.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020267335	1	47	-1.0	-42.08	375.96	5.41	-36.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020267336	0	44	-1.0	-44.41	351.71	4.76	-39.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020267336	1	44	-1.0	-44.37	351.76	4.79	-39.58
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020267337	0	43	-1.0	-45.92	345.63	8.15	-37.77
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020267337	1	43	-1.0	-45.93	345.67	8.14	-37.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020267338	0	47	-1.0	-42.00	379.33	4.44	-37.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020267338	1	47	-1.0	-41.97	379.38	4.46	-37.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020267339	0	44	-1.0	-43.33	357.82	3.65	-39.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020267339	1	44	-1.0	-43.29	357.88	3.67	-39.62
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020267340	0	51	-1.0	-51.18	402.95	6.35	-44.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020267340	1	51	-1.0	-51.14	402.99	6.34	-44.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020267341	0	53	-1.0	-41.60	405.27	7.55	-34.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020267341	1	53	-1.0	-41.58	405.33	7.57	-34.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020267342	0	50	-1.0	-45.64	388.31	6.62	-39.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020267342	1	50	-1.0	-45.64	388.37	6.64	-39.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020267343	0	49	-1.0	-39.75	370.08	8.27	-31.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020267343	1	49	-1.0	-39.72	370.14	8.28	-31.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020267344	0	46	-1.0	-42.68	343.53	7.57	-35.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020267344	1	46	-1.0	-42.71	343.58	7.58	-35.13
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020267345	0	53	-1.0	-43.11	386.91	9.67	-33.44
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020267345	1	53	-1.0	-43.09	386.94	9.65	-33.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)C1	REAL300020267346	0	46	-1.0	-40.26	361.43	5.62	-34.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)C1	REAL300020267346	1	46	-1.0	-40.28	361.49	5.64	-34.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)C1	REAL300020267347	0	43	-1.0	-42.68	339.93	4.84	-37.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)C1	REAL300020267347	1	43	-1.0	-42.72	339.99	4.85	-37.87
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(OC)C1	REAL300020267348	0	50	-1.0	-46.19	373.74	7.08	-39.11
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(OC)C1	REAL300020267348	1	50	-1.0	-46.18	373.77	7.07	-39.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020267349	0	54	-1.0	-45.79	415.82	8.32	-37.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020267349	1	54	-1.0	-45.81	415.88	8.33	-37.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020267350	0	51	-1.0	-48.71	395.11	7.34	-41.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020267350	1	51	-1.0	-48.74	395.17	7.37	-41.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020267351	0	47	-1.0	-44.15	376.94	3.08	-41.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020267351	1	47	-1.0	-44.19	377.00	3.10	-41.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020267352	0	44	-1.0	-51.63	355.70	2.55	-49.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020267352	1	44	-1.0	-51.65	355.76	2.56	-49.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020267353	0	46	-1.0	-42.13	388.32	7.43	-34.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020267353	1	46	-1.0	-42.14	388.26	7.42	-34.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020267354	0	43	-1.0	-43.99	367.09	6.63	-37.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020267354	1	43	-1.0	-43.98	367.03	6.61	-37.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OCC(=O)OC)C=C1	REAL300020267355	0	49	-1.0	-46.95	415.59	7.96	-38.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OCC(=O)OC)C=C1	REAL300020267355	1	49	-1.0	-46.98	415.65	7.99	-38.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020267356	0	50	-1.0	-41.46	387.03	6.66	-34.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020267356	1	50	-1.0	-41.47	387.08	6.68	-34.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020267357	0	47	-1.0	-44.23	365.21	6.04	-38.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020267357	1	47	-1.0	-44.20	365.27	6.07	-38.13
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020267358	0	54	-1.0	-43.32	418.74	8.96	-34.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020267358	1	54	-1.0	-43.28	418.77	8.95	-34.33
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267359	0	54	-1.0	-42.51	409.66	8.24	-34.27
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267359	1	54	-1.0	-42.46	409.71	8.25	-34.21
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267360	0	51	-1.0	-45.51	388.15	7.45	-38.06
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267360	1	51	-1.0	-45.50	388.21	7.48	-38.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2Cl)CC1	REAL300020267361	0	47	-1.0	-44.71	380.06	6.22	-38.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2Cl)CC1	REAL300020267361	1	47	-1.0	-44.74	380.11	6.24	-38.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CC2=CC=CC=C2)CC1	REAL300020267362	0	56	-1.0	-42.43	420.95	7.73	-34.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CC2=CC=CC=C2)CC1	REAL300020267362	1	56	-1.0	-42.44	421.00	7.74	-34.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CC2=CC=CC=C2)CC1	REAL300020267363	0	53	-1.0	-43.26	407.33	7.01	-36.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CC2=CC=CC=C2)CC1	REAL300020267363	1	53	-1.0	-43.24	407.39	7.03	-36.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2)CC1	REAL300020267364	0	53	-1.0	-46.90	428.22	8.67	-38.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2)CC1	REAL300020267364	1	53	-1.0	-46.95	428.28	8.68	-38.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2)CC1	REAL300020267365	0	50	-1.0	-49.45	410.41	8.00	-41.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CC=C2)CC1	REAL300020267365	1	50	-1.0	-49.46	410.47	8.03	-41.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(CC(C)C)CC2C1	REAL300020267366	0	55	-1.0	-46.20	423.88	7.59	-38.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(CC(C)C)CC2C1	REAL300020267366	1	55	-1.0	-46.24	423.94	7.61	-38.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(CC(C)C)CC2C1	REAL300020267367	0	52	-1.0	-48.20	410.69	7.08	-41.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(CC(C)C)CC2C1	REAL300020267367	1	52	-1.0	-48.21	410.75	7.12	-41.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020267368	0	46	-1.0	-46.55	370.16	5.45	-41.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020267368	1	46	-1.0	-46.52	370.22	5.46	-41.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020267369	0	43	-1.0	-47.22	348.68	4.67	-42.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020267369	1	43	-1.0	-47.20	348.74	4.69	-42.51
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020267370	0	50	-1.0	-48.90	395.61	7.49	-41.41
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020267370	1	50	-1.0	-48.95	395.66	7.50	-41.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020267371	0	50	-1.0	-40.77	378.78	6.73	-34.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020267371	1	50	-1.0	-40.75	378.84	6.74	-34.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020267372	0	47	-1.0	-45.69	342.45	5.47	-40.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020267372	1	47	-1.0	-45.70	342.51	5.49	-40.21
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020267373	0	54	-1.0	-43.48	403.09	8.88	-34.60
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020267373	1	54	-1.0	-43.43	403.15	8.87	-34.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020267374	0	49	-1.0	-40.01	381.39	6.30	-33.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020267374	1	49	-1.0	-40.00	381.45	6.31	-33.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020267375	0	46	-1.0	-42.05	359.84	5.51	-36.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020267375	1	46	-1.0	-42.09	359.90	5.54	-36.55
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020267376	0	53	-1.0	-41.83	409.62	8.30	-33.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020267376	1	53	-1.0	-41.78	409.67	8.27	-33.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020267377	0	52	-1.0	-42.53	398.49	9.73	-32.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020267377	1	52	-1.0	-42.57	398.55	9.74	-32.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020267378	0	49	-1.0	-45.73	383.52	9.37	-36.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020267378	1	49	-1.0	-45.70	383.57	9.40	-36.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC(C)=C2)CC1	REAL300020267379	0	56	-1.0	-42.69	437.46	8.09	-34.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC(C)=C2)CC1	REAL300020267379	1	56	-1.0	-42.71	437.52	8.10	-34.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC(C)=C2)CC1	REAL300020267380	0	53	-1.0	-45.07	419.44	7.15	-37.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC(C)=C2)CC1	REAL300020267380	1	53	-1.0	-45.08	419.49	7.18	-37.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(Cl)=C2)CC1	REAL300020267381	0	49	-1.0	-42.07	398.01	9.45	-32.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(Cl)=C2)CC1	REAL300020267381	1	49	-1.0	-42.08	398.07	9.48	-32.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020267382	0	51	-1.0	-40.09	384.07	8.32	-31.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020267382	1	51	-1.0	-40.12	384.13	8.34	-31.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020267383	0	48	-1.0	-42.16	362.57	7.53	-34.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020267383	1	48	-1.0	-42.16	362.62	7.54	-34.62
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020267384	0	55	-1.0	-41.97	410.61	10.31	-31.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020267384	1	55	-1.0	-41.93	410.60	10.29	-31.64
CCOC(=O)C1(COC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267385	0	55	-1.0	-42.93	439.73	8.70	-34.23
CCOC(=O)C1(COC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267385	1	55	-1.0	-42.94	439.79	8.71	-34.23
CCOC(=O)C1(COC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267386	0	52	-1.0	-49.24	412.55	7.67	-41.57
CCOC(=O)C1(COC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267386	1	52	-1.0	-49.27	412.61	7.68	-41.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C(C)(C)C	REAL300020267387	0	58	-1.0	-41.86	448.17	10.44	-31.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C(C)(C)C	REAL300020267387	1	58	-1.0	-41.90	448.22	10.46	-31.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C(C)(C)C	REAL300020267388	0	55	-1.0	-42.41	431.84	9.42	-32.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C(C)(C)C	REAL300020267388	1	55	-1.0	-42.48	431.91	9.44	-33.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)C2=CC=CC=C2)C1	REAL300020267389	0	53	-1.0	-49.74	412.45	8.42	-41.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)C2=CC=CC=C2)C1	REAL300020267389	1	53	-1.0	-49.73	412.51	8.43	-41.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)C2=CC=CC=C2)C1	REAL300020267390	0	50	-1.0	-48.77	385.39	7.73	-41.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)C2=CC=CC=C2)C1	REAL300020267390	1	50	-1.0	-48.82	385.45	7.76	-41.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2=CC=C(Cl)C=C2)CC1	REAL300020267391	0	46	-1.0	-44.37	391.45	9.50	-34.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2=CC=C(Cl)C=C2)CC1	REAL300020267391	1	46	-1.0	-44.36	391.50	9.52	-34.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020267392	0	55	-1.0	-40.78	420.52	5.41	-35.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020267392	1	56	0.0	-68.56	424.75	7.57	-60.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020267392	1	55	-1.0	-40.76	420.57	5.42	-35.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020267393	0	52	-1.0	-43.02	398.95	4.79	-38.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020267393	1	53	0.0	-66.37	399.85	6.92	-59.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020267393	1	52	-1.0	-43.03	399.01	4.81	-38.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020267394	0	57	-1.0	-39.67	422.85	9.01	-30.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020267394	1	57	-1.0	-39.73	422.90	9.02	-30.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020267395	0	54	-1.0	-41.55	405.25	8.23	-33.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020267395	1	54	-1.0	-41.57	405.31	8.25	-33.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)N2CCCC2)CC1	REAL300020267396	0	51	-1.0	-48.40	413.97	4.45	-43.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)N2CCCC2)CC1	REAL300020267396	1	51	-1.0	-48.38	414.02	4.47	-43.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020267397	0	46	-1.0	-41.06	372.52	8.92	-32.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020267397	1	46	-1.0	-41.08	372.57	8.94	-32.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020267398	0	43	-1.0	-43.53	345.56	8.22	-35.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020267398	1	43	-1.0	-43.51	345.51	8.20	-35.31
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020267399	0	50	-1.0	-44.09	396.09	10.87	-33.22
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020267399	1	50	-1.0	-44.09	396.14	10.86	-33.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN(C)C(=O)OC(C)(C)C)C1	REAL300020267400	0	56	-1.0	-46.73	429.14	7.46	-39.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN(C)C(=O)OC(C)(C)C)C1	REAL300020267400	1	56	-1.0	-46.74	429.20	7.49	-39.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020267401	0	40	-1.0	-51.27	327.68	2.12	-49.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020267401	1	40	-1.0	-51.28	327.73	2.14	-49.14
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020267402	0	44	-1.0	-49.70	354.64	4.14	-45.56
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020267402	1	44	-1.0	-49.61	354.70	4.13	-45.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020267403	0	52	-1.0	-42.47	412.70	6.68	-35.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020267403	1	52	-1.0	-42.47	412.75	6.69	-35.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020267404	0	49	-1.0	-45.34	392.64	5.99	-39.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020267404	1	49	-1.0	-45.34	392.70	6.02	-39.32
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1	REAL300020267405	0	40	-1.0	-43.21	315.55	7.32	-35.89
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1	REAL300020267405	1	40	-1.0	-43.22	315.57	7.30	-35.92
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020267406	0	46	-1.0	-41.64	364.64	8.92	-32.72
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020267406	1	46	-1.0	-41.63	364.69	8.91	-32.72
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1	REAL300020267407	0	41	-1.0	-43.52	326.52	5.78	-37.74
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1	REAL300020267407	1	41	-1.0	-43.53	326.49	5.77	-37.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020267408	0	43	-1.0	-45.72	347.52	4.93	-40.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020267408	1	43	-1.0	-45.70	347.57	4.94	-40.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020267409	0	40	-1.0	-48.55	330.10	4.25	-44.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020267409	1	40	-1.0	-48.60	330.16	4.27	-44.33
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020267410	0	47	-1.0	-50.02	367.98	7.05	-42.97
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020267410	1	47	-1.0	-49.97	368.02	7.04	-42.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020267411	0	48	-1.0	-41.52	387.68	7.05	-34.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020267411	1	48	-1.0	-41.49	387.74	7.06	-34.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020267412	0	45	-1.0	-45.25	369.60	6.69	-38.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020267412	1	45	-1.0	-45.30	369.66	6.72	-38.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020267413	0	52	-1.0	-41.16	410.14	10.45	-30.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020267413	1	52	-1.0	-41.19	410.20	10.47	-30.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020267414	0	49	-1.0	-43.93	388.45	9.84	-34.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020267414	1	49	-1.0	-43.94	388.51	9.87	-34.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020267415	0	45	-1.0	-39.66	349.47	7.50	-32.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020267415	1	45	-1.0	-39.66	349.53	7.51	-32.15
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C)C1	REAL300020267416	0	49	-1.0	-42.35	376.94	9.40	-32.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C)C1	REAL300020267416	1	49	-1.0	-42.35	376.97	9.38	-32.97
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267417	0	48	-1.0	-42.34	387.50	7.91	-34.43
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267417	1	48	-1.0	-42.34	387.55	7.92	-34.42
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267418	0	45	-1.0	-43.09	366.00	7.12	-35.97
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267418	1	45	-1.0	-43.06	366.06	7.15	-35.91
CCOC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020267419	0	52	-1.0	-43.27	420.94	9.71	-33.56
CCOC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020267419	1	52	-1.0	-43.20	421.00	9.70	-33.50
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020267420	0	45	-1.0	-41.37	363.57	8.40	-32.97
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020267420	1	45	-1.0	-41.35	363.61	8.39	-32.96
CCOC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267421	0	55	-1.0	-42.33	434.55	7.61	-34.72
CCOC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267421	1	55	-1.0	-42.34	434.60	7.63	-34.71
CCOC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267422	0	52	-1.0	-45.33	414.49	6.92	-38.41
CCOC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267422	1	52	-1.0	-45.32	414.55	6.94	-38.38
CCOC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267423	0	47	-1.0	-43.62	381.87	5.69	-37.93
CCOC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267423	1	47	-1.0	-43.60	381.93	5.70	-37.90
CCOC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267424	0	44	-1.0	-45.59	364.46	4.99	-40.60
CCOC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267424	1	44	-1.0	-45.61	364.53	5.02	-40.59
CCOC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020267425	0	51	-1.0	-46.02	413.69	7.95	-38.07
CCOC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020267425	1	51	-1.0	-46.01	413.75	7.94	-38.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020267426	0	48	-1.0	-41.51	378.83	7.07	-34.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020267426	1	48	-1.0	-41.56	378.89	7.09	-34.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020267427	0	45	-1.0	-42.67	368.78	6.54	-36.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020267427	1	45	-1.0	-42.66	368.84	6.57	-36.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020267428	0	43	-1.0	-45.53	347.72	2.91	-42.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020267428	1	43	-1.0	-45.50	347.78	2.93	-42.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020267429	0	40	-1.0	-49.20	325.92	2.30	-46.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020267429	1	40	-1.0	-49.25	325.98	2.32	-46.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020267430	0	47	-1.0	-46.52	375.68	4.99	-41.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020267430	1	47	-1.0	-46.51	375.72	4.98	-41.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C3OCOC3=C2)CC1	REAL300020267431	0	51	-1.0	-45.81	413.93	5.20	-40.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C3OCOC3=C2)CC1	REAL300020267431	1	51	-1.0	-45.78	413.99	5.22	-40.56
CCOC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267432	0	48	-1.0	-45.31	392.02	7.89	-37.42
CCOC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267432	1	48	-1.0	-45.32	392.07	7.91	-37.41
CCOC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267433	0	45	-1.0	-48.84	371.39	6.91	-41.93
CCOC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267433	1	45	-1.0	-48.87	371.44	6.93	-41.94
CCOC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020267434	0	52	-1.0	-46.32	420.90	9.67	-36.65
CCOC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020267434	1	52	-1.0	-46.33	420.95	9.66	-36.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020267435	0	46	-1.0	-43.80	378.62	6.71	-37.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020267435	1	46	-1.0	-43.76	378.56	6.70	-37.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020267436	0	43	-1.0	-46.02	351.49	6.06	-39.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020267436	1	43	-1.0	-45.99	351.46	6.06	-39.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020267437	0	46	-1.0	-42.18	358.06	8.88	-33.30
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020267437	1	46	-1.0	-42.19	358.08	8.86	-33.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020267438	0	47	-1.0	-42.00	382.23	6.48	-35.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020267438	1	47	-1.0	-41.96	382.28	6.50	-35.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020267439	0	44	-1.0	-43.66	360.72	5.70	-37.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020267439	1	44	-1.0	-43.64	360.78	5.72	-37.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020267440	0	54	-1.0	-39.95	425.36	8.99	-30.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020267440	1	54	-1.0	-40.04	425.42	9.01	-31.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020267441	0	51	-1.0	-42.26	403.86	8.21	-34.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020267441	1	51	-1.0	-42.27	403.92	8.23	-34.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020267442	0	47	-1.0	-41.13	396.69	8.17	-32.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020267442	1	47	-1.0	-41.12	396.74	8.18	-32.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020267443	0	44	-1.0	-43.83	378.09	7.46	-36.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020267443	1	44	-1.0	-43.81	378.15	7.49	-36.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020267444	0	43	-1.0	-44.57	357.51	5.33	-39.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020267444	1	43	-1.0	-44.59	357.57	5.34	-39.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020267445	0	40	-1.0	-46.04	340.47	4.64	-41.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020267445	1	40	-1.0	-46.06	340.53	4.66	-41.40
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020267446	0	47	-1.0	-47.30	386.39	7.39	-39.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020267446	1	47	-1.0	-47.26	386.43	7.38	-39.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020267447	0	47	-1.0	-46.53	383.46	5.68	-40.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020267447	1	47	-1.0	-46.53	383.52	5.70	-40.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020267448	0	44	-1.0	-49.26	365.60	5.01	-44.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020267448	1	44	-1.0	-49.34	365.66	5.03	-44.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020267449	0	52	0.0	-63.24	389.56	8.36	-54.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020267449	1	52	0.0	-63.21	389.62	8.38	-54.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020267450	0	49	0.0	-63.79	362.45	7.68	-56.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020267450	1	49	0.0	-63.84	362.51	7.70	-56.14
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020267451	0	56	0.0	-67.98	417.97	10.35	-57.63
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020267451	1	56	0.0	-67.95	418.02	10.35	-57.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020267452	0	48	-1.0	-40.57	397.54	10.06	-30.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020267452	1	48	-1.0	-40.64	397.60	10.07	-30.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020267453	0	45	-1.0	-43.29	375.83	9.32	-33.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020267453	1	45	-1.0	-43.27	375.78	9.29	-33.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020267454	0	55	0.0	-67.94	424.18	10.11	-57.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020267454	1	54	-1.0	-41.35	416.72	7.91	-33.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020267454	1	54	-1.0	-41.35	416.78	7.93	-33.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020267455	0	52	0.0	-67.19	402.27	9.52	-57.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020267455	1	51	-1.0	-42.95	406.81	7.29	-35.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020267455	1	51	-1.0	-42.95	406.86	7.32	-35.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020267456	0	48	-1.0	-44.03	404.57	7.05	-36.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(Cl)=C2)CC1	REAL300020267456	1	48	-1.0	-44.03	404.64	7.07	-36.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020267457	0	39	-1.0	-38.57	359.01	7.52	-31.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020267457	1	39	-1.0	-38.58	359.07	7.53	-31.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020267458	0	36	-1.0	-40.81	337.66	6.74	-34.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020267458	1	36	-1.0	-40.80	337.72	6.77	-34.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC2=CC=CC=C2)CC1	REAL300020267459	0	55	-1.0	-44.00	436.55	7.01	-36.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC2=CC=CC=C2)CC1	REAL300020267459	1	55	-1.0	-43.99	436.61	7.03	-36.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC2=CC=CC=C2)CC1	REAL300020267459	1	56	0.0	-71.50	429.80	9.31	-62.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC2=CC=CC=C2)CC1	REAL300020267460	0	52	-1.0	-45.00	412.15	6.19	-38.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC2=CC=CC=C2)CC1	REAL300020267460	1	52	-1.0	-45.07	412.21	6.21	-38.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC2=CC=CC=C2)CC1	REAL300020267460	1	53	0.0	-68.13	420.09	8.59	-59.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)S1	REAL300020267461	0	39	-1.0	-38.49	363.65	7.63	-30.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)S1	REAL300020267461	1	39	-1.0	-38.53	363.70	7.64	-30.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)S1	REAL300020267462	0	36	-1.0	-40.80	342.30	6.85	-33.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)S1	REAL300020267462	1	36	-1.0	-40.80	342.35	6.88	-33.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020267463	0	50	-1.0	-42.07	394.15	7.05	-35.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020267463	1	50	-1.0	-42.08	394.21	7.07	-35.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020267464	0	47	-1.0	-43.10	386.99	6.31	-36.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020267464	1	47	-1.0	-43.16	387.04	6.34	-36.82
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267465	0	58	0.0	-64.88	441.13	10.66	-54.22
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267466	0	55	0.0	-61.96	414.91	9.91	-52.05
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267466	1	55	0.0	-61.95	414.97	9.93	-52.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020267467	0	53	-1.0	-41.68	426.26	9.05	-32.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020267467	1	53	-1.0	-41.66	426.32	9.06	-32.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020267468	0	50	-1.0	-44.31	407.56	8.19	-36.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020267468	1	50	-1.0	-44.31	407.62	8.21	-36.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020267469	0	42	-1.0	-41.05	359.77	7.64	-33.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020267469	1	42	-1.0	-41.11	359.82	7.65	-33.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020267470	0	39	-1.0	-42.49	342.53	6.98	-35.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020267470	1	39	-1.0	-42.49	342.47	6.96	-35.53
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=CC=CS1	REAL300020267471	0	46	-1.0	-44.17	384.25	9.82	-34.35
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=CC=CS1	REAL300020267471	1	46	-1.0	-44.10	384.30	9.81	-34.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020267472	0	55	0.0	-67.22	420.30	9.96	-57.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020267472	1	55	0.0	-68.26	419.74	9.94	-58.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020267472	1	55	0.0	-67.28	420.36	9.97	-57.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020267472	1	55	0.0	-68.27	419.80	9.96	-58.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020267473	0	52	0.0	-65.96	402.16	9.42	-56.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020267473	1	52	0.0	-68.10	397.64	9.41	-58.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020267473	1	52	0.0	-65.94	402.21	9.44	-56.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020267473	1	52	0.0	-68.14	397.70	9.43	-58.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020267474	0	45	-1.0	-53.42	371.78	3.36	-50.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020267474	1	45	-1.0	-53.43	371.84	3.37	-50.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020267475	0	42	-1.0	-58.35	354.02	2.70	-55.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020267475	1	42	-1.0	-58.31	354.07	2.71	-55.60
CCC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CC2)C=C1	REAL300020267476	0	54	-1.0	-40.85	415.29	8.46	-32.39
CCC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020267476	1	54	-1.0	-40.88	415.35	8.47	-32.41
CCC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)C=C1	REAL300020267477	0	51	-1.0	-42.40	405.25	7.93	-34.47
CCC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020267477	1	51	-1.0	-42.38	405.31	7.95	-34.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020267478	0	47	-1.0	-42.84	386.43	6.55	-36.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020267478	1	47	-1.0	-42.82	386.37	6.53	-36.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020267479	0	44	-1.0	-45.27	364.98	5.77	-39.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020267479	1	44	-1.0	-45.24	364.93	5.76	-39.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020267480	0	46	-1.0	-43.64	377.08	7.97	-35.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020267480	1	46	-1.0	-43.61	377.14	7.98	-35.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020267481	0	43	-1.0	-45.87	362.36	7.10	-38.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020267481	1	43	-1.0	-45.85	362.30	7.07	-38.78
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020267482	0	50	-1.0	-45.12	396.02	9.60	-35.52
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020267482	1	50	-1.0	-45.09	396.05	9.57	-35.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=C(C)S2)CC1	REAL300020267483	0	50	-1.0	-42.48	413.59	6.49	-35.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=C(C)S2)CC1	REAL300020267483	1	50	-1.0	-42.44	413.65	6.51	-35.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=C(C)S2)CC1	REAL300020267484	0	47	-1.0	-44.06	394.27	5.98	-38.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=C(C)S2)CC1	REAL300020267484	1	47	-1.0	-44.09	394.33	6.00	-38.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020267485	0	45	-1.0	-41.17	380.96	8.41	-32.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020267485	1	45	-1.0	-41.16	381.02	8.43	-32.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020267486	0	42	-1.0	-44.14	358.17	7.61	-36.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020267486	1	42	-1.0	-44.40	358.25	7.54	-36.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020267487	0	45	-1.0	-39.83	377.57	6.27	-33.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020267487	1	45	-1.0	-39.83	377.63	6.28	-33.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020267488	0	42	-1.0	-41.80	350.40	5.63	-36.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020267488	1	42	-1.0	-41.82	350.50	5.63	-36.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCCOC	REAL300020267489	0	53	-1.0	-44.16	432.99	4.38	-39.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCCOC	REAL300020267489	1	53	-1.0	-44.16	433.05	4.39	-39.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCCOC	REAL300020267490	0	50	-1.0	-45.77	415.19	3.72	-42.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCCOC	REAL300020267490	1	50	-1.0	-45.76	415.24	3.74	-42.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020267491	0	54	0.0	-66.45	398.72	8.51	-57.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020267491	1	54	0.0	-66.50	398.78	8.53	-57.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020267492	0	51	0.0	-67.40	375.95	8.13	-59.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020267492	1	51	0.0	-67.42	376.01	8.16	-59.26
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020267493	0	58	0.0	-69.69	430.64	10.76	-58.93
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020267493	1	58	0.0	-69.77	430.68	10.75	-59.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020267494	0	49	-1.0	-41.80	400.45	5.62	-36.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020267494	1	49	-1.0	-41.78	400.51	5.64	-36.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020267495	0	46	-1.0	-43.52	376.74	4.90	-38.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020267495	1	46	-1.0	-43.50	376.78	4.93	-38.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020267496	0	51	-1.0	-40.39	407.83	8.16	-32.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020267496	1	51	-1.0	-40.42	407.89	8.18	-32.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020267497	0	48	-1.0	-41.74	387.19	7.20	-34.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020267497	1	48	-1.0	-41.74	387.24	7.22	-34.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020267498	0	42	-1.0	-39.04	364.45	7.90	-31.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020267498	1	42	-1.0	-39.09	364.51	7.91	-31.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020267499	0	39	-1.0	-40.22	342.62	7.20	-33.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020267499	1	39	-1.0	-40.21	342.57	7.17	-33.04
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020267500	0	46	-1.0	-42.23	381.95	10.00	-32.23
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020267500	1	46	-1.0	-42.23	381.98	9.99	-32.24
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267501	0	48	-1.0	-39.75	376.43	8.21	-31.54
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267501	1	48	-1.0	-39.76	376.49	8.22	-31.54
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267502	0	45	-1.0	-43.15	351.64	7.49	-35.66
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267502	1	45	-1.0	-43.18	351.70	7.51	-35.67
CCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020267503	0	52	-1.0	-41.48	403.77	10.15	-31.33
CCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020267503	1	52	-1.0	-41.44	403.81	10.13	-31.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020267504	0	52	-1.0	-41.28	425.06	8.61	-32.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020267504	1	52	-1.0	-41.22	425.12	8.62	-32.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020267505	0	49	-1.0	-43.72	403.70	7.99	-35.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020267505	1	49	-1.0	-43.69	403.75	8.00	-35.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020267506	0	50	-1.0	-39.92	397.11	7.90	-32.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020267506	1	50	-1.0	-39.95	397.17	7.92	-32.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020267507	0	47	-1.0	-42.57	376.09	7.19	-35.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020267507	1	47	-1.0	-42.59	376.14	7.21	-35.38
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020267508	0	54	-1.0	-41.46	426.08	9.77	-31.69
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020267508	1	54	-1.0	-41.42	426.12	9.76	-31.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020267509	0	42	-1.0	-40.20	362.83	6.33	-33.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020267509	1	42	-1.0	-40.21	362.89	6.35	-33.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020267510	0	39	-1.0	-41.49	341.33	5.55	-35.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020267510	1	39	-1.0	-41.46	341.38	5.57	-35.89
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020267511	0	46	-1.0	-44.01	384.07	8.42	-35.59
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020267511	1	46	-1.0	-43.97	384.09	8.41	-35.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020267512	0	50	-1.0	-39.26	384.36	9.18	-30.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020267512	1	50	-1.0	-39.29	384.41	9.20	-30.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020267513	0	47	-1.0	-40.77	363.02	8.37	-32.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020267513	1	47	-1.0	-40.73	363.07	8.39	-32.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020267514	0	56	0.0	-65.55	402.96	9.47	-56.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020267514	1	56	0.0	-65.55	402.90	9.46	-56.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020267515	0	53	0.0	-62.67	376.94	8.96	-53.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020267515	1	53	0.0	-62.70	377.00	8.96	-53.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020267516	0	47	-1.0	-42.92	395.13	8.03	-34.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020267516	1	47	-1.0	-42.93	395.18	8.04	-34.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020267517	0	44	-1.0	-44.89	381.60	7.49	-37.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020267517	1	44	-1.0	-44.86	381.66	7.51	-37.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020267518	0	47	-1.0	-50.63	403.64	6.42	-44.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020267518	1	47	-1.0	-50.67	403.69	6.43	-44.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020267519	0	44	-1.0	-51.04	381.95	5.63	-45.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020267519	1	44	-1.0	-51.02	382.01	5.66	-45.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CSC=C2)CC1	REAL300020267520	0	47	-1.0	-48.80	397.00	6.01	-42.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CSC=C2)CC1	REAL300020267520	1	47	-1.0	-48.83	397.06	6.03	-42.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CS2)CC1	REAL300020267521	0	47	-1.0	-49.76	398.34	5.89	-43.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CS2)CC1	REAL300020267521	1	47	-1.0	-49.74	398.40	5.91	-43.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC2CCCC2)CC1	REAL300020267522	0	56	-1.0	-50.95	431.70	7.44	-43.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC2CCCC2)CC1	REAL300020267522	1	56	-1.0	-50.95	431.76	7.46	-43.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=NOC(C)=C2)CC1	REAL300020267523	0	49	-1.0	-48.74	406.83	4.98	-43.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=NOC(C)=C2)CC1	REAL300020267523	1	49	-1.0	-48.74	406.89	4.99	-43.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)OC(C)(C)C)C1	REAL300020267524	0	56	-1.0	-47.62	440.06	5.86	-41.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)OC(C)(C)C)C1	REAL300020267524	1	56	-1.0	-47.57	440.11	5.88	-41.69
CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267525	0	49	-1.0	-45.18	390.23	5.35	-39.83
CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267525	1	49	-1.0	-45.14	390.29	5.36	-39.78
CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267526	0	46	-1.0	-45.38	368.74	4.57	-40.81
CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267526	1	46	-1.0	-45.41	368.80	4.59	-40.82
CCNC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020267527	0	53	-1.0	-45.68	419.23	7.21	-38.47
CCNC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020267527	1	53	-1.0	-45.70	419.27	7.20	-38.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CCCCC2)CC1	REAL300020267528	0	56	-1.0	-45.02	432.12	7.12	-37.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CCCCC2)CC1	REAL300020267528	1	56	-1.0	-45.01	432.18	7.14	-37.87
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020267529	0	46	-1.0	-46.94	370.87	4.68	-42.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020267529	1	46	-1.0	-46.91	370.92	4.70	-42.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020267530	0	43	-1.0	-49.99	349.39	3.89	-46.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020267530	1	43	-1.0	-49.99	349.45	3.91	-46.08
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020267531	0	50	-1.0	-49.53	399.86	6.55	-42.98
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020267531	1	50	-1.0	-49.47	399.90	6.54	-42.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020267532	0	53	-1.0	-44.39	415.60	5.38	-39.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020267532	1	53	-1.0	-44.41	415.66	5.40	-39.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020267533	0	50	-1.0	-46.85	394.10	4.60	-42.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020267533	1	50	-1.0	-46.86	394.15	4.62	-42.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)C1	REAL300020267534	0	56	-1.0	-46.30	437.09	5.77	-40.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)C1	REAL300020267534	1	56	-1.0	-46.26	437.15	5.79	-40.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)C1	REAL300020267535	0	53	-1.0	-47.90	418.39	4.91	-42.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)OC(C)(C)C)C1	REAL300020267535	1	53	-1.0	-47.89	418.45	4.94	-42.95
CCCCCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267536	0	58	-1.0	-50.08	459.87	7.44	-42.64
CCCCCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267536	1	58	-1.0	-50.13	459.91	7.47	-42.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020267537	0	39	-1.0	-39.18	342.35	6.92	-32.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020267537	1	39	-1.0	-39.21	342.40	6.94	-32.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020267538	0	36	-1.0	-41.76	320.49	6.20	-35.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020267538	1	36	-1.0	-41.76	320.44	6.18	-35.58
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CS1	REAL300020267539	0	43	-1.0	-42.24	363.14	8.99	-33.25
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CS1	REAL300020267539	1	43	-1.0	-42.30	363.19	8.98	-33.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020267540	0	42	-1.0	-39.56	374.12	8.43	-31.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020267540	1	42	-1.0	-39.56	374.17	8.44	-31.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020267541	0	39	-1.0	-41.75	345.07	7.79	-33.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020267541	1	39	-1.0	-41.77	345.13	7.81	-33.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020267542	0	49	-1.0	-46.59	374.80	6.27	-40.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020267542	1	49	-1.0	-46.60	374.86	6.29	-40.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020267543	0	46	-1.0	-47.94	366.85	5.40	-42.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020267543	1	46	-1.0	-47.94	366.91	5.43	-42.51
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020267544	0	53	-1.0	-46.84	416.04	8.20	-38.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020267544	1	53	-1.0	-46.77	416.09	8.19	-38.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N2CCOCC2)CC1	REAL300020267545	0	54	-1.0	-45.11	418.09	5.92	-39.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N2CCOCC2)CC1	REAL300020267545	1	54	-1.0	-45.11	418.15	5.93	-39.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N2CCOCC2)CC1	REAL300020267546	0	51	-1.0	-48.65	395.30	5.02	-43.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N2CCOCC2)CC1	REAL300020267546	1	51	-1.0	-48.67	395.36	5.05	-43.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020267547	0	48	-1.0	-44.85	383.50	7.65	-37.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020267547	1	48	-1.0	-44.85	383.56	7.66	-37.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020267548	0	45	-1.0	-47.02	359.63	6.69	-40.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020267548	1	45	-1.0	-47.07	359.69	6.71	-40.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020267549	0	50	-1.0	-44.77	392.27	6.90	-37.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020267549	1	50	-1.0	-44.77	392.33	6.91	-37.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020267550	0	47	-1.0	-47.58	370.43	6.29	-41.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020267550	1	47	-1.0	-47.60	370.49	6.30	-41.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC)C1	REAL300020267551	0	43	-1.0	-41.29	348.33	5.20	-36.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC)C1	REAL300020267551	1	43	-1.0	-41.30	348.39	5.22	-36.08
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OC)C1	REAL300020267552	0	47	-1.0	-44.71	365.97	7.22	-37.49
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OC)C1	REAL300020267552	1	47	-1.0	-44.68	366.01	7.21	-37.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC)CC1	REAL300020267553	0	46	-1.0	-40.93	366.31	5.75	-35.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC)CC1	REAL300020267553	1	46	-1.0	-40.97	366.36	5.77	-35.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)CC1	REAL300020267554	0	43	-1.0	-44.02	344.46	5.14	-38.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)CC1	REAL300020267554	1	43	-1.0	-44.05	344.52	5.16	-38.89
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COC)CC1	REAL300020267555	0	50	-1.0	-43.05	393.82	7.92	-35.13
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COC)CC1	REAL300020267555	1	50	-1.0	-43.08	393.86	7.91	-35.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020267556	0	38	-1.0	-46.40	321.48	3.32	-43.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020267556	1	38	-1.0	-46.39	321.54	3.33	-43.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020267557	0	42	-1.0	-48.97	350.95	5.47	-43.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020267557	1	42	-1.0	-48.98	351.00	5.45	-43.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020267558	0	58	0.0	-62.80	440.04	10.63	-52.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020267558	1	58	0.0	-62.73	440.01	10.63	-52.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020267559	0	55	0.0	-61.03	409.07	9.99	-51.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020267559	1	55	0.0	-61.20	409.55	10.04	-51.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020267559	1	55	0.0	-60.97	409.02	9.97	-51.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300020267559	1	55	0.0	-61.24	409.49	10.01	-51.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020267560	0	55	0.0	-60.96	410.39	9.21	-51.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020267560	1	55	0.0	-60.96	410.45	9.22	-51.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020267561	0	52	0.0	-61.12	388.64	8.41	-52.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020267561	1	52	0.0	-61.14	388.70	8.44	-52.70
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020267562	0	44	-1.0	-41.35	357.05	8.64	-32.71
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020267562	1	44	-1.0	-41.29	357.09	8.63	-32.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020267563	0	46	-1.0	-39.97	362.52	5.91	-34.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020267563	1	46	-1.0	-39.92	362.58	5.92	-34.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020267564	0	43	-1.0	-42.26	340.79	5.25	-37.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020267564	1	43	-1.0	-42.33	340.84	5.27	-37.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCOC1	REAL300020267565	0	50	-1.0	-43.13	384.10	8.06	-35.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCOC1	REAL300020267565	1	50	-1.0	-43.08	384.12	8.05	-35.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020267566	0	52	-1.0	-40.26	398.54	9.80	-30.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020267566	1	52	-1.0	-40.26	398.60	9.81	-30.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020267567	0	49	-1.0	-43.19	377.65	9.05	-34.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020267567	1	49	-1.0	-43.15	377.71	9.07	-34.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020267568	0	52	-1.0	-40.10	414.11	10.40	-29.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020267568	1	52	-1.0	-40.13	414.17	10.41	-29.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020267569	0	49	-1.0	-42.50	392.88	9.56	-32.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020267569	1	49	-1.0	-42.51	392.94	9.59	-32.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020267570	0	38	-1.0	-44.19	323.77	4.06	-40.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020267570	1	38	-1.0	-44.19	323.83	4.07	-40.12
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020267571	0	42	-1.0	-47.02	353.79	6.39	-40.63
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020267571	1	42	-1.0	-46.98	353.80	6.38	-40.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020267572	0	51	-1.0	-48.27	406.80	4.13	-44.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020267572	1	51	-1.0	-48.30	406.86	4.14	-44.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020267573	0	48	-1.0	-52.05	384.59	3.30	-48.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020267573	1	48	-1.0	-52.08	384.64	3.32	-48.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N2CCCC2)CC1	REAL300020267574	0	55	-1.0	-48.20	421.54	5.36	-42.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N2CCCC2)CC1	REAL300020267574	1	55	-1.0	-48.22	421.60	5.37	-42.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N2CCCC2)CC1	REAL300020267575	0	52	-1.0	-50.68	411.71	4.84	-45.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N2CCCC2)CC1	REAL300020267575	1	52	-1.0	-50.67	411.76	4.87	-45.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020267576	0	42	-1.0	-42.86	354.98	5.56	-37.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020267576	1	42	-1.0	-42.82	354.92	5.54	-37.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020267577	0	39	-1.0	-43.83	333.19	4.83	-39.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020267577	1	39	-1.0	-43.83	333.14	4.81	-39.02
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020267578	0	46	-1.0	-46.26	372.58	7.62	-38.64
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020267578	1	46	-1.0	-46.30	372.54	7.63	-38.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020267579	0	48	-1.0	-41.56	387.91	6.41	-35.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020267579	1	48	-1.0	-41.57	387.97	6.42	-35.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020267579	1	49	0.0	-68.45	390.43	8.68	-59.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020267580	0	45	-1.0	-43.15	378.59	5.68	-37.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020267580	1	45	-1.0	-43.14	378.65	5.70	-37.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020267580	1	46	0.0	-65.83	367.90	8.22	-57.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020267581	0	45	-1.0	-41.94	377.63	6.42	-35.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020267581	1	45	-1.0	-41.94	377.69	6.43	-35.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020267582	0	42	-1.0	-46.37	349.30	5.80	-40.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020267582	1	42	-1.0	-46.35	349.24	5.77	-40.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(OC)=C(OC)C=C1C	REAL300020267583	0	53	-1.0	-42.26	427.14	7.93	-34.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(OC)=C(OC)C=C1C	REAL300020267583	1	53	-1.0	-42.26	427.20	7.95	-34.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(OC)=C(OC)C=C1C	REAL300020267584	0	50	-1.0	-44.13	403.15	7.08	-37.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(OC)=C(OC)C=C1C	REAL300020267584	1	50	-1.0	-44.13	403.21	7.11	-37.02
CCCCC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C2=CC=CC=C2O1	REAL300020267585	0	54	-1.0	-43.62	436.88	10.30	-33.32
CCCCC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C2=CC=CC=C2O1	REAL300020267585	1	54	-1.0	-43.64	436.92	10.33	-33.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020267586	0	50	-1.0	-45.29	394.17	5.20	-40.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020267586	1	50	-1.0	-45.33	394.23	5.22	-40.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020267587	0	47	-1.0	-47.46	385.92	4.69	-42.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020267587	1	47	-1.0	-47.50	385.98	4.71	-42.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020267588	0	44	-1.0	-42.32	383.22	7.22	-35.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020267588	1	44	-1.0	-42.31	383.27	7.24	-35.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020267589	0	41	-1.0	-43.72	362.92	6.71	-37.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020267589	1	41	-1.0	-43.76	362.86	6.68	-37.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC(C)=CC=C2OC)CC1	REAL300020267590	0	55	-1.0	-44.02	432.29	6.95	-37.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC(C)=CC=C2OC)CC1	REAL300020267590	1	55	-1.0	-44.04	432.34	6.98	-37.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC(C)=CC=C2OC)CC1	REAL300020267590	1	56	0.0	-61.96	421.34	9.23	-52.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020267591	0	49	-1.0	-41.33	402.52	7.83	-33.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020267591	1	49	-1.0	-41.35	402.58	7.85	-33.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020267592	0	46	-1.0	-44.02	374.62	7.25	-36.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020267592	1	46	-1.0	-44.04	374.56	7.22	-36.82
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267593	0	44	-1.0	-41.04	358.18	6.09	-34.95
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267593	1	44	-1.0	-41.02	358.24	6.10	-34.92
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267594	0	41	-1.0	-42.07	336.68	5.30	-36.77
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267594	1	41	-1.0	-42.07	336.74	5.33	-36.74
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020267595	0	48	-1.0	-42.99	386.56	8.06	-34.93
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020267595	1	48	-1.0	-42.92	386.62	8.05	-34.87
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020267596	0	46	-1.0	-43.00	355.40	8.27	-34.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020267596	1	46	-1.0	-43.02	355.41	8.27	-34.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020267597	0	48	-1.0	-40.01	371.31	8.06	-31.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020267597	1	48	-1.0	-40.02	371.37	8.07	-31.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020267598	0	45	-1.0	-42.15	350.60	7.08	-35.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020267598	1	45	-1.0	-42.11	350.66	7.11	-35.00
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)C)C1	REAL300020267599	0	52	-1.0	-42.82	389.48	9.91	-32.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)C)C1	REAL300020267599	1	52	-1.0	-42.81	389.50	9.90	-32.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)C1	REAL300020267600	0	46	-1.0	-41.97	364.87	5.93	-36.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)C1	REAL300020267600	1	46	-1.0	-42.02	364.93	5.95	-36.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)C1	REAL300020267601	0	43	-1.0	-44.56	342.75	5.07	-39.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)C1	REAL300020267601	1	43	-1.0	-44.55	342.79	5.10	-39.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCOC)C1	REAL300020267602	0	50	-1.0	-44.33	389.71	7.69	-36.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCOC)C1	REAL300020267602	1	50	-1.0	-44.29	389.72	7.68	-36.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020267603	0	46	-1.0	-40.07	360.17	8.02	-32.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020267603	1	46	-1.0	-40.09	360.22	8.04	-32.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020267604	0	43	-1.0	-44.15	333.01	7.30	-36.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020267604	1	43	-1.0	-44.16	333.07	7.33	-36.83
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020267605	0	50	-1.0	-43.25	377.10	9.88	-33.37
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020267605	1	50	-1.0	-43.26	377.13	9.87	-33.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020267606	0	54	-1.0	-40.38	421.89	4.66	-35.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020267606	1	54	-1.0	-40.42	421.95	4.67	-35.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020267606	1	55	0.0	-66.30	425.68	7.12	-59.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020267606	1	55	0.0	-66.34	414.18	6.92	-59.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020267607	0	51	-1.0	-43.53	395.78	3.94	-39.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020267607	1	51	-1.0	-43.50	395.83	3.96	-39.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020267607	1	52	0.0	-61.78	404.17	6.31	-55.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020267607	1	52	0.0	-66.64	392.55	6.30	-60.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020267608	0	50	-1.0	-41.79	403.26	8.15	-33.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020267608	1	50	-1.0	-41.79	403.32	8.17	-33.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020267609	0	47	-1.0	-45.01	373.98	7.43	-37.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020267609	1	47	-1.0	-44.98	374.04	7.46	-37.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020267610	0	47	-1.0	-42.24	353.00	6.30	-35.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020267610	1	47	-1.0	-42.21	353.06	6.31	-35.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020267611	0	44	-1.0	-45.73	331.06	5.69	-40.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020267611	1	44	-1.0	-45.79	331.12	5.71	-40.08
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020267612	0	51	-1.0	-44.39	377.16	8.35	-36.04
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020267612	1	51	-1.0	-44.39	377.18	8.34	-36.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)(C2=CC=CC=C2)CC1	REAL300020267613	0	53	-1.0	-49.33	413.50	6.03	-43.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)(C2=CC=CC=C2)CC1	REAL300020267613	1	53	-1.0	-49.32	413.56	6.04	-43.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)(C2=CC=CC=C2)CC1	REAL300020267614	0	50	-1.0	-52.39	397.44	5.06	-47.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)(C2=CC=CC=C2)CC1	REAL300020267614	1	50	-1.0	-52.40	397.50	5.09	-47.31
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OC)C1	REAL300020267615	0	44	-1.0	-43.08	351.82	6.52	-36.56
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OC)C1	REAL300020267615	1	44	-1.0	-43.08	351.85	6.50	-36.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020267616	0	45	-1.0	-40.01	343.76	7.08	-32.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020267616	1	45	-1.0	-40.02	343.81	7.10	-32.92
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(C)C1	REAL300020267617	0	49	-1.0	-42.61	371.87	9.29	-33.32
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(C)C1	REAL300020267617	1	49	-1.0	-42.60	371.90	9.28	-33.32
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC)C1	REAL300020267618	0	44	-1.0	-43.76	348.46	6.34	-37.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC)C1	REAL300020267618	1	44	-1.0	-43.76	348.49	6.33	-37.43
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267619	0	45	-1.0	-39.92	354.66	7.60	-32.32
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267619	1	45	-1.0	-39.93	354.72	7.62	-32.31
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020267620	0	49	-1.0	-41.46	382.99	9.57	-31.89
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020267620	1	49	-1.0	-41.43	383.04	9.57	-31.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020267621	0	48	-1.0	-39.68	369.75	7.99	-31.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020267621	1	48	-1.0	-39.63	369.81	8.01	-31.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020267622	0	45	-1.0	-42.22	351.90	7.31	-34.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020267622	1	45	-1.0	-42.19	351.96	7.34	-34.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020267623	0	52	-1.0	-41.45	400.41	10.11	-31.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020267623	1	52	-1.0	-41.45	400.46	10.10	-31.35
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020267624	0	48	-1.0	-39.77	386.94	8.43	-31.34
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020267624	1	48	-1.0	-39.78	387.00	8.44	-31.34
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020267625	0	45	-1.0	-41.83	356.37	8.01	-33.82
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020267625	1	45	-1.0	-41.81	356.43	8.03	-33.78
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020267626	0	52	-1.0	-41.52	419.38	10.52	-31.00
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020267626	1	52	-1.0	-41.42	419.42	10.51	-30.91
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CCS1	REAL300020267627	0	43	-1.0	-39.34	352.45	7.47	-31.87
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CCS1	REAL300020267627	1	43	-1.0	-39.34	352.51	7.49	-31.85
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CCS1	REAL300020267628	0	40	-1.0	-40.35	334.44	6.67	-33.68
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CCS1	REAL300020267628	1	40	-1.0	-40.34	334.49	6.69	-33.65
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CCS1	REAL300020267629	0	47	-1.0	-40.84	384.82	9.27	-31.57
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CCS1	REAL300020267629	1	47	-1.0	-40.73	384.86	9.27	-31.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020267630	0	46	-1.0	-42.81	351.42	8.24	-34.57
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020267630	1	46	-1.0	-42.74	351.45	8.23	-34.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020267631	0	43	-1.0	-38.84	353.90	7.50	-31.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020267631	1	43	-1.0	-38.89	353.96	7.52	-31.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020267632	0	40	-1.0	-40.63	331.91	6.91	-33.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020267632	1	40	-1.0	-40.64	331.97	6.93	-33.71
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)(C)C1	REAL300020267633	0	47	-1.0	-41.67	377.01	9.71	-31.96
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)(C)C1	REAL300020267633	1	47	-1.0	-41.73	377.04	9.70	-32.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020267634	0	47	-1.0	-39.65	368.59	6.47	-33.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020267634	1	47	-1.0	-39.68	368.65	6.49	-33.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020267635	0	44	-1.0	-41.90	343.62	5.55	-36.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020267635	1	44	-1.0	-41.91	343.68	5.56	-36.35
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2OCCCC2C1	REAL300020267636	0	51	-1.0	-42.15	390.37	8.37	-33.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2OCCCC2C1	REAL300020267636	1	51	-1.0	-42.10	390.51	8.36	-33.74
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CCO1	REAL300020267637	0	46	-1.0	-40.26	369.78	6.31	-33.95
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CCO1	REAL300020267637	1	46	-1.0	-40.24	369.84	6.32	-33.92
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CCO1	REAL300020267638	0	43	-1.0	-42.24	348.97	5.31	-36.93
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CCO1	REAL300020267638	1	43	-1.0	-42.25	349.04	5.33	-36.92
CCCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CCO1	REAL300020267639	0	50	-1.0	-41.98	398.70	8.08	-33.90
CCCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CCO1	REAL300020267639	1	50	-1.0	-41.98	398.74	8.06	-33.92
CCCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267640	0	51	-1.0	-39.67	387.85	8.99	-30.68
CCCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267640	1	51	-1.0	-39.72	387.91	9.00	-30.72
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267641	0	48	-1.0	-42.61	362.25	8.27	-34.34
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267641	1	48	-1.0	-42.61	362.31	8.28	-34.33
CCCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020267642	0	55	-1.0	-41.41	412.18	10.82	-30.59
CCCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020267642	1	55	-1.0	-41.40	412.21	10.81	-30.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020267643	0	55	-1.0	-47.43	435.08	6.87	-40.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020267643	1	55	-1.0	-47.43	435.14	6.88	-40.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020267644	0	52	-1.0	-50.69	414.19	5.87	-44.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020267644	1	52	-1.0	-50.67	414.25	5.90	-44.77
CCCC(=O)NCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267645	0	55	-1.0	-47.54	437.02	6.97	-40.57
CCCC(=O)NCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267645	1	55	-1.0	-47.61	437.08	6.99	-40.62
CCCC(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267646	0	52	-1.0	-50.79	416.15	5.98	-44.81
CCCC(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267646	1	52	-1.0	-50.79	416.21	6.00	-44.79
CCCC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267647	0	52	-1.0	-42.80	414.05	5.96	-36.84
CCCC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267647	1	52	-1.0	-42.76	414.10	5.97	-36.79
CCCC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267648	0	49	-1.0	-44.69	396.29	5.29	-39.40
CCCC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267648	1	49	-1.0	-44.73	396.34	5.31	-39.42
CCCCNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267649	0	55	-1.0	-49.21	434.63	6.55	-42.66
CCCCNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267649	1	55	-1.0	-49.20	434.68	6.56	-42.64
CCCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267650	0	52	-1.0	-50.17	416.87	5.88	-44.29
CCCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267650	1	52	-1.0	-50.18	416.92	5.91	-44.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020267651	0	50	-1.0	-49.15	405.46	5.99	-43.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020267651	1	50	-1.0	-49.10	405.52	6.01	-43.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020267652	0	47	-1.0	-51.27	383.13	5.41	-45.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020267652	1	47	-1.0	-51.28	383.18	5.44	-45.84
CCCC(C)NC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267653	0	58	-1.0	-49.33	454.38	7.55	-41.78
CCCC(C)NC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267653	1	58	-1.0	-49.33	454.44	7.57	-41.76
CCCC(C)NC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267654	0	55	-1.0	-50.38	436.63	6.89	-43.49
CCCC(C)NC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267654	1	55	-1.0	-50.36	436.68	6.91	-43.45
CCCNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267655	0	52	-1.0	-49.33	413.13	5.78	-43.55
CCCNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267655	1	52	-1.0	-49.37	413.19	5.79	-43.58
CCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267656	0	49	-1.0	-50.37	395.37	5.11	-45.26
CCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267656	1	49	-1.0	-50.40	395.42	5.13	-45.27
CCCCCC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267657	0	58	-1.0	-46.32	455.67	7.82	-38.50
CCCCCC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267657	1	58	-1.0	-46.32	455.73	7.83	-38.49
CCCCCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267658	0	55	-1.0	-49.57	434.17	7.03	-42.54
CCCCCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267658	1	55	-1.0	-49.57	434.23	7.06	-42.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(=O)C2=CN(C)N=C2)CC1	REAL300020267659	0	53	-1.0	-50.20	431.16	5.36	-44.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(=O)C2=CN(C)N=C2)CC1	REAL300020267659	1	53	-1.0	-50.22	431.10	5.35	-44.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL300020267660	0	53	-1.0	-49.85	429.99	7.52	-42.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C2=CC=CC=C2)C1	REAL300020267660	1	53	-1.0	-49.89	430.05	7.54	-42.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=C(C)OC(C)=C2)CC1	REAL300020267661	0	53	-1.0	-49.84	429.77	6.50	-43.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=C(C)OC(C)=C2)CC1	REAL300020267661	1	53	-1.0	-49.85	429.83	6.51	-43.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=C(C)OC=C2)CC1	REAL300020267662	0	53	-1.0	-46.88	429.71	6.28	-40.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=C(C)OC=C2)CC1	REAL300020267662	1	53	-1.0	-46.89	429.76	6.30	-40.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=C(C)OC=C2)CC1	REAL300020267663	0	50	-1.0	-50.19	407.86	5.67	-44.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=C(C)OC=C2)CC1	REAL300020267663	1	50	-1.0	-50.20	407.92	5.68	-44.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020267664	0	55	-1.0	-42.47	430.97	6.44	-36.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020267664	1	55	-1.0	-42.46	431.03	6.45	-36.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020267665	0	52	-1.0	-44.29	413.21	5.77	-38.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020267665	1	52	-1.0	-44.29	413.27	5.80	-38.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(=O)NC	REAL300020267666	0	42	-1.0	-49.63	347.74	3.05	-46.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(=O)NC	REAL300020267666	1	42	-1.0	-49.61	347.80	3.06	-46.55
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(=O)NC	REAL300020267667	0	46	-1.0	-51.09	380.19	5.14	-45.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(=O)NC	REAL300020267667	1	46	-1.0	-51.06	380.23	5.13	-45.93
CCCCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267668	0	55	-1.0	-44.94	433.24	6.89	-38.05
CCCCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267668	1	55	-1.0	-44.94	433.29	6.90	-38.04
CCCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267669	0	52	-1.0	-45.10	411.74	6.10	-39.00
CCCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267669	1	52	-1.0	-45.08	411.79	6.13	-38.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020267670	0	47	-1.0	-45.06	396.01	6.67	-38.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020267670	1	47	-1.0	-45.04	396.07	6.68	-38.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020267671	0	44	-1.0	-44.75	375.90	5.97	-38.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020267671	1	44	-1.0	-44.74	375.95	5.99	-38.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=C(OC)C=C2C=C1	REAL300020267672	0	52	-1.0	-41.68	426.96	9.32	-32.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=C(OC)C=C2C=C1	REAL300020267672	1	52	-1.0	-41.69	427.01	9.34	-32.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=C(OC)C=C2C=C1	REAL300020267673	0	49	-1.0	-43.94	405.11	8.58	-35.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=C(OC)C=C2C=C1	REAL300020267673	1	49	-1.0	-43.96	405.17	8.62	-35.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020267674	0	39	-1.0	-39.08	338.04	6.66	-32.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020267674	1	39	-1.0	-39.11	338.10	6.68	-32.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020267675	0	36	-1.0	-42.87	313.53	6.14	-36.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020267675	1	36	-1.0	-42.85	313.48	6.12	-36.73
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CSC=C1	REAL300020267676	0	43	-1.0	-41.87	362.66	8.86	-33.01
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CSC=C1	REAL300020267676	1	43	-1.0	-41.86	362.70	8.84	-33.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020267677	0	53	-1.0	-45.06	426.15	7.92	-37.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020267677	1	53	-1.0	-45.12	426.21	7.94	-37.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020267678	0	50	-1.0	-46.01	402.97	7.35	-38.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=CC=C2)CC1	REAL300020267678	1	50	-1.0	-46.02	403.03	7.38	-38.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020267679	0	47	-1.0	-49.56	384.60	2.27	-47.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020267679	1	47	-1.0	-49.61	384.66	2.28	-47.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020267680	0	44	-1.0	-50.38	363.11	1.48	-48.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020267680	1	44	-1.0	-50.39	363.16	1.51	-48.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020267681	0	44	-1.0	-52.00	386.50	5.63	-46.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020267681	1	44	-1.0	-52.01	386.55	5.64	-46.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020267682	0	41	-1.0	-51.38	364.99	4.84	-46.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020267682	1	41	-1.0	-51.40	365.05	4.87	-46.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020267683	0	51	-1.0	-43.85	410.55	9.71	-34.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020267683	1	51	-1.0	-43.83	410.61	9.72	-34.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020267684	0	48	-1.0	-44.12	389.05	8.92	-35.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020267684	1	48	-1.0	-44.11	389.11	8.95	-35.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(OC)C=C2)CC1	REAL300020267685	0	52	-1.0	-47.84	418.80	8.30	-39.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(OC)C=C2)CC1	REAL300020267685	1	52	-1.0	-47.85	418.85	8.33	-39.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020267686	0	51	-1.0	-42.35	418.40	9.48	-32.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020267686	1	51	-1.0	-42.37	418.46	9.49	-32.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020267687	0	48	-1.0	-43.98	396.56	8.87	-35.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020267687	1	48	-1.0	-43.98	396.62	8.88	-35.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020267688	0	51	-1.0	-39.90	408.57	8.43	-31.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020267688	1	51	-1.0	-39.90	408.62	8.45	-31.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020267689	0	48	-1.0	-42.85	369.29	7.92	-34.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020267689	1	48	-1.0	-42.22	373.79	7.90	-34.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020267690	0	44	-1.0	-45.27	371.14	2.60	-42.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020267690	1	44	-1.0	-45.27	371.20	2.62	-42.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020267691	0	41	-1.0	-46.75	349.67	1.82	-44.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020267691	1	41	-1.0	-46.74	349.72	1.84	-44.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020267692	0	46	-1.0	-42.45	373.48	4.49	-37.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020267692	1	46	-1.0	-42.41	373.42	4.48	-37.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020267693	0	43	-1.0	-44.83	355.66	3.84	-40.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020267693	1	43	-1.0	-44.87	355.60	3.81	-41.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020267694	0	49	-1.0	-40.10	389.47	9.49	-30.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020267694	1	49	-1.0	-40.10	389.53	9.50	-30.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020267695	0	46	-1.0	-42.66	367.63	8.88	-33.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020267695	1	46	-1.0	-42.67	367.69	8.89	-33.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020267696	0	48	-1.0	-40.81	395.63	9.98	-30.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020267696	1	48	-1.0	-40.80	395.69	10.00	-30.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020267697	0	45	-1.0	-46.51	367.95	9.35	-37.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020267697	1	45	-1.0	-46.45	367.89	9.33	-37.12
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1	REAL300020267698	0	43	-1.0	-41.60	344.43	8.20	-33.40
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1	REAL300020267698	1	43	-1.0	-41.53	344.47	8.19	-33.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC(OC)=C2)CC1	REAL300020267699	0	51	-1.0	-52.30	412.59	6.20	-46.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC(OC)=C2)CC1	REAL300020267699	1	51	-1.0	-52.27	412.65	6.23	-46.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020267700	0	47	-1.0	-42.08	388.11	7.77	-34.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020267700	1	47	-1.0	-42.11	388.17	7.79	-34.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020267701	0	44	-1.0	-43.58	371.27	7.05	-36.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020267701	1	44	-1.0	-43.60	371.33	7.08	-36.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(OC)C=C2)CC1	REAL300020267702	0	51	-1.0	-48.28	411.73	6.41	-41.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(OC)C=C2)CC1	REAL300020267702	1	51	-1.0	-48.25	411.79	6.43	-41.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020267703	0	46	-1.0	-47.27	365.44	3.74	-43.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020267703	1	46	-1.0	-47.28	365.50	3.76	-43.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020267704	0	43	-1.0	-51.12	343.94	2.96	-48.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020267704	1	43	-1.0	-51.14	344.00	2.98	-48.16
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020267705	0	50	-1.0	-49.84	394.42	5.61	-44.23
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020267705	1	50	-1.0	-49.75	394.47	5.60	-44.15
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020267706	0	53	0.0	-71.27	404.41	6.66	-64.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020267706	1	53	0.0	-71.26	404.47	6.68	-64.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020267707	0	50	0.0	-70.14	382.59	6.04	-64.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020267707	1	50	0.0	-70.14	382.65	6.06	-64.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020267708	0	46	-1.0	-40.01	380.24	6.50	-33.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020267708	1	46	-1.0	-39.98	380.30	6.52	-33.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020267709	0	43	-1.0	-41.90	351.57	6.10	-35.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020267709	1	43	-1.0	-41.90	351.63	6.13	-35.77
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOCC1CC1	REAL300020267710	0	50	-1.0	-42.00	407.50	8.50	-33.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOCC1CC1	REAL300020267710	1	50	-1.0	-42.02	407.55	8.49	-33.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCCOC	REAL300020267711	0	49	-1.0	-42.32	399.05	4.66	-37.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCCOC	REAL300020267711	1	49	-1.0	-42.33	399.11	4.68	-37.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCCOC	REAL300020267712	0	46	-1.0	-44.21	381.26	4.00	-40.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCCOC	REAL300020267712	1	46	-1.0	-44.21	381.31	4.02	-40.19
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOCCCOC	REAL300020267713	0	53	-1.0	-43.80	431.00	6.79	-37.01
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOCCCOC	REAL300020267713	1	53	-1.0	-43.70	431.04	6.78	-36.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020267714	0	54	-1.0	-41.01	422.44	6.41	-34.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020267714	1	54	-1.0	-41.04	422.50	6.42	-34.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020267715	0	51	-1.0	-42.65	405.42	5.55	-37.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020267715	1	51	-1.0	-42.66	405.48	5.57	-37.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020267716	0	49	-1.0	-40.53	397.29	10.25	-30.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020267716	1	49	-1.0	-40.51	397.35	10.26	-30.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020267717	0	46	-1.0	-43.04	373.76	9.71	-33.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020267717	1	46	-1.0	-43.02	373.82	9.73	-33.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020267718	0	42	-1.0	-40.08	374.22	8.33	-31.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020267718	1	42	-1.0	-40.11	374.28	8.35	-31.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020267719	0	39	-1.0	-42.12	348.66	7.60	-34.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020267719	1	39	-1.0	-42.14	348.71	7.62	-34.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020267720	0	55	-1.0	-40.81	415.72	8.50	-32.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020267720	1	55	-1.0	-40.85	415.77	8.51	-32.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020267721	0	52	-1.0	-42.78	395.35	7.59	-35.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020267721	1	52	-1.0	-42.75	395.41	7.60	-35.15
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC[N@@H+]1CC1=CC=CC=C1	REAL300020267722	0	58	0.0	-65.73	439.29	10.81	-54.92
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC[N@H+]1CC1=CC=CC=C1	REAL300020267722	1	58	0.0	-62.26	435.61	10.51	-51.75
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC[N@@H+]1CC1=CC=CC=C1	REAL300020267723	0	55	0.0	-65.53	420.19	10.12	-55.41
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC[N@H+]1CC1=CC=CC=C1	REAL300020267723	1	55	0.0	-61.28	410.01	9.63	-51.65
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC[N@@H+]1CC1=CC=CC=C1	REAL300020267723	1	55	0.0	-65.55	420.25	10.13	-55.42
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC[N@H+]1CC1=CC=CC=C1	REAL300020267723	1	55	0.0	-61.33	410.06	9.66	-51.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(C(C)C)C=C2)C1	REAL300020267724	0	58	-1.0	-40.73	450.75	11.56	-29.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(C(C)C)C=C2)C1	REAL300020267724	1	58	-1.0	-40.71	450.80	11.58	-29.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(C(C)C)C=C2)C1	REAL300020267725	0	55	-1.0	-43.66	429.09	10.95	-32.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(C(C)C)C=C2)C1	REAL300020267725	1	55	-1.0	-43.68	429.15	10.97	-32.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2F)CC1	REAL300020267726	0	50	-1.0	-43.26	407.56	8.82	-34.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2F)CC1	REAL300020267726	1	50	-1.0	-43.25	407.62	8.85	-34.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CN=CC(Cl)=N2)CC1	REAL300020267727	0	45	-1.0	-43.90	392.27	4.10	-39.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CN=CC(Cl)=N2)CC1	REAL300020267727	1	45	-1.0	-43.89	392.21	4.08	-39.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300020267728	0	58	-1.0	-40.78	457.83	12.01	-28.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300020267728	1	58	-1.0	-40.79	457.88	12.03	-28.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300020267729	0	55	-1.0	-44.15	433.05	11.29	-32.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300020267729	1	55	-1.0	-44.15	433.10	11.32	-32.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020267730	0	44	-1.0	-41.43	335.87	4.90	-36.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020267730	1	44	-1.0	-41.42	335.93	4.91	-36.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020267731	0	41	-1.0	-43.32	313.78	4.36	-38.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020267731	1	41	-1.0	-43.32	313.84	4.39	-38.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020267732	0	48	-1.0	-43.48	368.43	7.02	-36.46
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020267732	1	48	-1.0	-43.46	368.49	7.01	-36.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)CC1	REAL300020267733	0	49	-1.0	-43.18	394.37	9.57	-33.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)CC1	REAL300020267733	1	49	-1.0	-43.20	394.43	9.59	-33.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(C(C)C)C=C2)CC1	REAL300020267734	0	58	-1.0	-43.61	448.03	11.70	-31.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(C(C)C)C=C2)CC1	REAL300020267734	1	58	-1.0	-43.65	448.09	11.73	-31.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C(=O)C2=CC=CC=C2C1=O	REAL300020267735	0	49	-1.0	-47.68	418.65	7.46	-40.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C(=O)C2=CC=CC=C2C1=O	REAL300020267735	1	49	-1.0	-47.62	418.71	7.47	-40.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C(=O)C2=CC=CC=C2C1=O	REAL300020267736	0	46	-1.0	-49.47	397.07	6.68	-42.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C(=O)C2=CC=CC=C2C1=O	REAL300020267736	1	46	-1.0	-49.55	397.13	6.70	-42.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020267737	0	43	-1.0	-40.57	349.47	5.11	-35.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020267737	1	43	-1.0	-40.58	349.53	5.12	-35.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020267738	0	47	-1.0	-43.24	371.73	7.23	-36.01
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020267738	1	47	-1.0	-42.35	375.53	7.15	-35.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020267739	0	46	-1.0	-40.14	360.93	5.78	-34.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020267739	1	46	-1.0	-40.17	360.98	5.79	-34.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020267740	0	43	-1.0	-42.39	343.84	5.25	-37.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020267740	1	43	-1.0	-42.39	343.89	5.27	-37.12
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(C)C)C1	REAL300020267741	0	50	-1.0	-42.12	393.04	7.82	-34.30
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(C)C)C1	REAL300020267741	1	50	-1.0	-42.07	393.08	7.81	-34.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020267742	0	52	-1.0	-41.67	400.58	6.93	-34.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020267742	1	52	-1.0	-41.67	400.64	6.95	-34.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020267743	0	49	-1.0	-49.57	354.78	4.58	-44.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020267743	1	49	-1.0	-49.61	354.84	4.61	-45.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COC)C1	REAL300020267744	0	44	-1.0	-41.75	341.93	3.13	-38.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COC)C1	REAL300020267744	1	44	-1.0	-41.75	341.98	3.14	-38.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC)C1	REAL300020267745	0	41	-1.0	-42.48	339.62	3.16	-39.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC)C1	REAL300020267745	1	41	-1.0	-42.51	339.67	3.19	-39.32
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(COC)C1	REAL300020267746	0	48	-1.0	-43.19	389.44	5.92	-37.27
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(COC)C1	REAL300020267746	1	48	-1.0	-43.21	389.48	5.91	-37.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020267747	0	47	-1.0	-51.54	381.86	5.30	-46.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020267747	1	47	-1.0	-51.51	381.81	5.28	-46.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020267748	0	44	-1.0	-55.32	360.37	4.52	-50.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020267748	1	44	-1.0	-55.34	360.31	4.49	-50.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020267749	0	45	-1.0	-40.90	359.33	3.76	-37.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020267749	1	45	-1.0	-40.93	359.38	3.78	-37.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020267750	0	42	-1.0	-42.47	337.79	2.97	-39.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020267750	1	42	-1.0	-42.44	337.85	3.00	-39.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020267751	0	49	-1.0	-44.26	372.32	5.47	-38.79
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020267751	1	49	-1.0	-44.26	372.35	5.46	-38.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)(C(F)(F)F)C1	REAL300020267752	0	42	-1.0	-41.17	357.04	6.87	-34.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)(C(F)(F)F)C1	REAL300020267752	1	42	-1.0	-41.20	357.09	6.88	-34.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)(C(F)(F)F)C1	REAL300020267753	0	39	-1.0	-39.71	344.89	6.19	-33.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)(C(F)(F)F)C1	REAL300020267753	1	39	-1.0	-39.78	344.94	6.22	-33.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=C2)CC1	REAL300020267754	0	52	-1.0	-47.46	406.71	3.80	-43.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=C2)CC1	REAL300020267754	1	52	-1.0	-47.45	406.77	3.82	-43.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=C2)CC1	REAL300020267755	0	49	-1.0	-49.13	396.67	3.27	-45.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=C2)CC1	REAL300020267755	1	49	-1.0	-49.20	396.73	3.30	-45.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020267756	0	53	-1.0	-41.38	420.60	6.19	-35.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020267756	1	53	-1.0	-41.36	420.66	6.21	-35.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020267757	0	50	-1.0	-42.49	399.11	5.41	-37.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020267757	1	50	-1.0	-42.45	399.16	5.43	-37.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020267758	0	40	-1.0	-40.68	326.31	4.27	-36.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020267758	1	40	-1.0	-40.68	326.36	4.28	-36.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020267759	0	37	-1.0	-43.27	309.83	3.63	-39.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020267759	1	37	-1.0	-43.29	309.88	3.65	-39.64
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020267760	0	44	-1.0	-42.80	358.58	6.36	-36.44
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020267760	1	44	-1.0	-42.71	358.61	6.37	-36.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020267761	0	50	-1.0	-50.13	414.65	7.91	-42.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020267761	1	50	-1.0	-50.17	414.71	7.93	-42.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020267762	0	47	-1.0	-50.32	392.32	7.04	-43.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020267762	1	47	-1.0	-50.26	392.37	7.06	-43.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300020267763	0	57	0.0	-69.03	439.21	8.14	-60.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300020267763	1	57	0.0	-69.07	439.27	8.17	-60.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCN(C2=CC=CC=C2)CC1	REAL300020267763	1	56	-1.0	-43.39	436.66	5.86	-37.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCN(C2=CC=CC=C2)CC1	REAL300020267763	1	56	-1.0	-43.38	436.72	5.89	-37.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020267764	0	38	-1.0	-40.72	323.69	5.17	-35.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020267764	1	38	-1.0	-40.77	323.75	5.18	-35.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020267765	0	35	-1.0	-41.92	316.09	4.39	-37.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020267765	1	35	-1.0	-41.87	316.03	4.37	-37.50
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NC=CS1	REAL300020267766	0	42	-1.0	-42.86	355.18	7.28	-35.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NC=CS1	REAL300020267766	1	42	-1.0	-42.86	355.20	7.27	-35.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020267767	0	47	-1.0	-43.16	390.78	8.38	-34.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020267767	1	47	-1.0	-43.14	390.84	8.39	-34.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020267768	0	44	-1.0	-43.16	372.78	7.79	-35.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020267768	1	44	-1.0	-43.15	372.84	7.82	-35.33
CCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267769	0	46	-1.0	-40.90	363.47	5.99	-34.91
CCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267769	1	46	-1.0	-40.93	363.52	6.01	-34.92
CCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020267770	0	43	-1.0	-42.87	336.42	5.30	-37.57
CCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020267770	1	43	-1.0	-42.88	336.48	5.32	-37.56
CCOCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020267771	0	50	-1.0	-42.90	391.05	7.97	-34.93
CCOCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020267771	1	50	-1.0	-42.83	391.07	7.96	-34.87
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020267772	0	43	-1.0	-40.33	344.46	4.84	-35.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020267772	1	43	-1.0	-40.34	344.52	4.86	-35.48
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCOC1	REAL300020267773	0	47	-1.0	-43.26	371.53	7.07	-36.19
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCOC1	REAL300020267773	1	47	-1.0	-43.26	371.57	7.06	-36.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC(C(F)(F)F)=N2)CC1	REAL300020267774	0	46	-1.0	-44.98	394.59	7.23	-37.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC(C(F)(F)F)=N2)CC1	REAL300020267774	1	46	-1.0	-44.96	394.53	7.20	-37.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC(C(F)(F)F)=N2)C1	REAL300020267775	0	46	-1.0	-45.16	395.18	7.02	-38.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC(C(F)(F)F)=N2)C1	REAL300020267775	1	46	-1.0	-45.14	395.13	6.99	-38.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020267776	0	46	-1.0	-44.30	383.81	9.16	-35.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020267776	1	46	-1.0	-44.30	383.87	9.19	-35.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020267777	0	48	-1.0	-47.66	405.99	8.52	-39.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020267777	1	48	-1.0	-47.67	405.93	8.50	-39.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020267778	0	45	-1.0	-48.05	384.48	7.74	-40.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020267778	1	45	-1.0	-48.04	384.42	7.72	-40.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)C(F)=C1	REAL300020267779	0	39	-1.0	-41.99	353.08	7.70	-34.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)C(F)=C1	REAL300020267779	1	39	-1.0	-41.97	353.13	7.72	-34.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020267780	0	49	-1.0	-42.22	385.50	9.41	-32.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020267780	1	49	-1.0	-42.24	385.55	9.42	-32.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020267781	0	46	-1.0	-45.40	366.49	8.84	-36.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020267781	1	46	-1.0	-45.41	366.54	8.86	-36.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020267782	0	52	-1.0	-43.25	416.05	10.63	-32.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020267782	1	52	-1.0	-43.21	416.11	10.65	-32.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020267783	0	49	-1.0	-44.94	399.63	9.66	-35.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020267783	1	49	-1.0	-44.99	399.69	9.68	-35.31
CCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020267784	0	49	-1.0	-42.60	399.36	5.02	-37.58
CCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020267784	1	49	-1.0	-42.61	399.42	5.03	-37.58
CCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020267785	0	46	-1.0	-44.26	381.56	4.35	-39.91
CCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020267785	1	46	-1.0	-44.28	381.62	4.38	-39.90
CCOCCOCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020267786	0	53	-1.0	-44.11	431.31	7.15	-36.96
CCOCCOCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020267786	1	53	-1.0	-44.07	431.35	7.14	-36.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N(C)C2=CC=C(C)C=C2)C1	REAL300020267787	0	57	-1.0	-41.63	441.52	10.40	-31.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N(C)C2=CC=C(C)C=C2)C1	REAL300020267787	1	57	-1.0	-41.65	441.57	10.41	-31.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N(C)C2=CC=C(C)C=C2)C1	REAL300020267788	0	54	-1.0	-46.65	412.28	9.49	-37.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N(C)C2=CC=C(C)C=C2)C1	REAL300020267788	1	54	-1.0	-46.74	412.34	9.52	-37.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL300020267789	0	52	-1.0	-44.09	422.00	8.81	-35.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL300020267789	1	52	-1.0	-44.07	422.06	8.84	-35.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020267790	0	44	-1.0	-43.88	363.63	5.92	-37.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020267790	1	44	-1.0	-43.88	363.69	5.93	-37.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020267791	0	41	-1.0	-46.72	342.67	5.04	-41.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020267791	1	41	-1.0	-46.71	342.72	5.06	-41.65
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020267792	0	48	-1.0	-46.29	395.10	7.90	-38.39
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020267792	1	48	-1.0	-46.26	395.12	7.88	-38.38
CCC1=CC=C(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CCO2)C=C1	REAL300020267793	0	53	-1.0	-41.69	424.59	9.14	-32.55
CCC1=CC=C(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CCO2)C=C1	REAL300020267793	1	53	-1.0	-41.68	424.65	9.16	-32.52
CCC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CCO2)C=C1	REAL300020267794	0	50	-1.0	-44.01	407.59	8.46	-35.55
CCC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CCO2)C=C1	REAL300020267794	1	50	-1.0	-44.04	407.65	8.48	-35.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCS2(=O)=O)C1	REAL300020267795	0	51	-1.0	-50.17	412.64	4.13	-46.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCS2(=O)=O)C1	REAL300020267795	1	51	-1.0	-50.16	412.70	4.14	-46.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCS2(=O)=O)C1	REAL300020267796	0	48	-1.0	-51.32	394.86	3.46	-47.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCS2(=O)=O)C1	REAL300020267796	1	48	-1.0	-51.30	394.92	3.48	-47.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)N=C(C3CC3)O2)CC1	REAL300020267797	0	49	-1.0	-45.06	411.20	3.51	-41.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)N=C(C3CC3)O2)CC1	REAL300020267797	1	49	-1.0	-45.04	411.26	3.54	-41.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Br)=CS1	REAL300020267798	0	39	-1.0	-38.53	363.82	7.53	-31.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Br)=CS1	REAL300020267798	1	39	-1.0	-38.58	363.88	7.55	-31.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Br)=CS1	REAL300020267799	0	36	-1.0	-40.07	341.91	6.80	-33.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Br)=CS1	REAL300020267799	1	36	-1.0	-40.13	341.97	6.82	-33.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(C)C=C2C)CC1	REAL300020267800	0	54	-1.0	-43.61	426.40	10.26	-33.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(C)C=C2C)CC1	REAL300020267800	1	54	-1.0	-43.57	426.45	10.28	-33.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020267801	0	49	-1.0	-41.27	399.51	8.13	-33.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020267801	1	49	-1.0	-41.28	399.57	8.15	-33.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020267802	0	46	-1.0	-43.09	368.93	7.71	-35.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020267802	1	46	-1.0	-43.13	368.99	7.72	-35.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020267803	0	50	-1.0	-43.05	412.18	7.38	-35.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020267803	1	50	-1.0	-43.05	412.23	7.40	-35.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020267804	0	47	-1.0	-45.88	389.69	6.61	-39.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020267804	1	47	-1.0	-45.87	389.74	6.64	-39.23
CCN(CC)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267805	0	54	-1.0	-47.14	414.30	6.85	-40.29
CCN(CC)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267805	1	54	-1.0	-47.20	414.36	6.86	-40.34
CCN(CC)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267806	0	51	-1.0	-50.16	403.09	6.65	-43.51
CCN(CC)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267806	1	51	-1.0	-50.19	403.14	6.67	-43.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020267807	0	53	-1.0	-41.08	426.14	9.27	-31.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020267807	1	53	-1.0	-41.10	426.19	9.28	-31.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020267808	0	50	-1.0	-44.02	404.34	8.67	-35.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020267808	1	50	-1.0	-44.01	404.39	8.68	-35.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N2CCOCC2)CC1	REAL300020267809	0	54	-1.0	-49.60	416.73	6.11	-43.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N2CCOCC2)CC1	REAL300020267809	1	54	-1.0	-49.60	416.78	6.13	-43.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(SC)C(OC)=C1	REAL300020267810	0	50	-1.0	-41.98	420.52	8.10	-33.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(SC)C(OC)=C1	REAL300020267810	1	50	-1.0	-42.01	420.58	8.11	-33.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(SC)C(OC)=C1	REAL300020267811	0	47	-1.0	-44.02	394.97	7.38	-36.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(SC)C(OC)=C1	REAL300020267811	1	47	-1.0	-44.04	395.02	7.40	-36.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC3=CC=CC=C32)CC1	REAL300020267812	0	52	-1.0	-44.03	409.78	11.02	-33.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC3=CC=CC=C32)CC1	REAL300020267812	1	52	-1.0	-44.04	409.83	11.04	-33.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020267813	0	40	-1.0	-43.26	331.10	6.63	-36.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020267813	1	40	-1.0	-43.24	331.15	6.64	-36.60
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020267814	0	44	-1.0	-45.01	360.09	8.49	-36.52
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020267814	1	44	-1.0	-45.01	360.13	8.49	-36.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020267815	0	44	-1.0	-44.76	358.38	5.52	-39.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020267815	1	44	-1.0	-44.74	358.44	5.54	-39.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020267816	0	41	-1.0	-46.57	336.35	4.92	-41.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020267816	1	41	-1.0	-46.55	336.41	4.95	-41.60
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020267817	0	48	-1.0	-47.41	375.21	7.61	-39.80
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020267817	1	48	-1.0	-47.42	375.23	7.60	-39.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1C1=CC=CC=C1	REAL300020267818	0	56	-1.0	-40.98	442.30	9.63	-31.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1C1=CC=CC=C1	REAL300020267818	1	56	-1.0	-40.96	442.36	9.65	-31.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1C1=CC=CC=C1	REAL300020267819	0	53	-1.0	-46.05	407.25	8.77	-37.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1C1=CC=CC=C1	REAL300020267819	1	53	-1.0	-46.09	407.31	8.79	-37.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020267820	0	41	-1.0	-47.18	340.19	1.74	-45.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020267820	1	41	-1.0	-47.21	340.25	1.76	-45.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020267821	0	38	-1.0	-47.72	323.17	0.88	-46.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020267821	1	38	-1.0	-47.70	323.11	0.87	-46.83
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020267822	0	45	-1.0	-50.10	361.60	3.68	-46.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020267822	1	45	-1.0	-50.06	361.68	3.68	-46.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020267823	0	55	-1.0	-40.34	435.21	11.23	-29.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020267823	1	55	-1.0	-40.30	435.27	11.24	-29.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020267824	0	52	-1.0	-42.71	414.58	10.24	-32.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020267824	1	52	-1.0	-42.69	414.63	10.27	-32.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=C2Cl)CC1	REAL300020267825	0	48	-1.0	-42.69	397.14	8.05	-34.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=C2Cl)CC1	REAL300020267825	1	48	-1.0	-42.72	397.19	8.06	-34.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N(C)C(=O)OC(C)(C)C)C1	REAL300020267826	0	56	-1.0	-48.14	431.95	7.51	-40.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N(C)C(=O)OC(C)(C)C)C1	REAL300020267826	1	56	-1.0	-48.10	432.01	7.53	-40.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL300020267827	0	51	-1.0	-51.28	414.72	4.64	-46.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL300020267827	1	51	-1.0	-51.28	414.77	4.66	-46.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020267828	0	54	-1.0	-41.14	411.14	9.04	-32.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020267828	1	54	-1.0	-41.16	411.19	9.05	-32.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020267829	0	51	-1.0	-45.34	395.54	7.59	-37.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020267829	1	51	-1.0	-45.36	395.59	7.61	-37.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCCCC1	REAL300020267830	0	57	-1.0	-39.99	444.03	9.57	-30.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCCCC1	REAL300020267830	1	57	-1.0	-40.00	444.09	9.59	-30.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCCCC1	REAL300020267831	0	54	-1.0	-46.33	421.17	9.05	-37.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCCCC1	REAL300020267831	1	54	-1.0	-46.34	421.23	9.07	-37.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCCCC2)C=C1	REAL300020267832	0	57	-1.0	-39.78	440.76	8.94	-30.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCCCC2)C=C1	REAL300020267832	1	57	-1.0	-39.77	440.82	8.96	-30.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCCCC2)C=C1	REAL300020267833	0	54	-1.0	-42.54	418.89	8.37	-34.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCCCC2)C=C1	REAL300020267833	1	54	-1.0	-42.53	418.95	8.38	-34.15
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCOCC2)C=C1	REAL300020267834	0	55	-1.0	-40.95	435.42	6.65	-34.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCOCC2)C=C1	REAL300020267834	1	55	-1.0	-40.93	435.48	6.67	-34.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCOCC2)C=C1	REAL300020267835	0	52	-1.0	-43.14	413.74	5.87	-37.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCOCC2)C=C1	REAL300020267835	1	52	-1.0	-43.14	413.79	5.89	-37.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020267836	0	48	-1.0	-40.45	398.57	6.14	-34.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020267836	1	48	-1.0	-40.49	398.62	6.16	-34.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020267836	1	49	0.0	-69.70	389.52	8.47	-61.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020267837	0	45	-1.0	-42.41	377.09	5.36	-37.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020267837	1	45	-1.0	-42.43	377.15	5.38	-37.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020267837	1	46	0.0	-67.45	380.16	7.74	-59.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020267838	0	43	-1.0	-40.69	339.48	5.45	-35.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020267838	1	43	-1.0	-40.68	339.53	5.47	-35.21
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020267839	0	47	-1.0	-43.62	360.56	7.36	-36.26
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020267839	1	47	-1.0	-43.57	360.60	7.35	-36.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2C#N)CC1	REAL300020267840	0	49	-1.0	-49.61	414.40	7.96	-41.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2C#N)CC1	REAL300020267840	1	49	-1.0	-49.60	414.46	7.97	-41.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2C#N)CC1	REAL300020267841	0	46	-1.0	-52.41	392.27	7.37	-45.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2C#N)CC1	REAL300020267841	1	46	-1.0	-52.42	392.31	7.40	-45.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NS(=O)(=O)CC)CC1	REAL300020267842	0	50	-1.0	-48.88	406.07	3.13	-45.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NS(=O)(=O)CC)CC1	REAL300020267842	1	50	-1.0	-48.90	406.13	3.14	-45.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NS(=O)(=O)CC)CC1	REAL300020267843	0	47	-1.0	-49.70	384.57	2.34	-47.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NS(=O)(=O)CC)CC1	REAL300020267843	1	47	-1.0	-49.70	384.63	2.37	-47.33
CCCS(=O)(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267844	0	53	-1.0	-48.67	427.57	3.93	-44.74
CCCS(=O)(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267844	1	53	-1.0	-48.67	427.63	3.94	-44.73
CCCS(=O)(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267845	0	50	-1.0	-49.50	406.07	3.14	-46.36
CCCS(=O)(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267845	1	50	-1.0	-49.47	406.13	3.17	-46.30
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020267846	0	45	-1.0	-39.92	354.66	7.60	-32.32
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020267846	1	45	-1.0	-39.93	354.72	7.62	-32.31
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020267847	0	49	-1.0	-41.46	382.99	9.57	-31.89
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020267847	1	49	-1.0	-41.43	383.04	9.57	-31.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020267848	0	47	-1.0	-45.41	388.79	6.14	-39.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020267848	1	47	-1.0	-45.41	388.85	6.15	-39.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020267849	0	44	-1.0	-48.04	367.17	5.32	-42.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020267849	1	44	-1.0	-48.01	367.23	5.35	-42.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020267850	0	35	-1.0	-43.78	300.54	4.89	-38.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020267850	1	35	-1.0	-43.77	300.60	4.91	-38.86
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(F)(F)F	REAL300020267851	0	39	-1.0	-41.26	328.51	7.41	-33.85
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(F)(F)F	REAL300020267851	1	39	-1.0	-41.25	328.55	7.40	-33.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N2CCCC(C)C2)CC1	REAL300020267852	0	56	-1.0	-43.94	429.89	7.95	-35.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N2CCCC(C)C2)CC1	REAL300020267852	1	56	-1.0	-43.95	429.95	7.97	-35.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020267853	0	55	-1.0	-45.24	419.57	7.67	-37.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020267853	1	55	-1.0	-45.25	419.62	7.69	-37.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020267854	0	52	-1.0	-45.32	398.06	6.89	-38.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020267854	1	52	-1.0	-45.36	398.12	6.91	-38.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020267855	0	51	-1.0	-41.47	412.53	10.11	-31.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020267855	1	51	-1.0	-41.45	412.59	10.12	-31.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020267856	0	48	-1.0	-43.17	395.23	9.43	-33.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020267856	1	48	-1.0	-43.24	395.29	9.45	-33.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020267857	0	42	-1.0	-38.48	385.09	8.78	-29.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020267857	1	42	-1.0	-38.49	385.15	8.80	-29.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020267858	0	39	-1.0	-39.87	363.21	8.05	-31.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020267858	1	39	-1.0	-39.92	363.27	8.07	-31.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020267859	0	43	-1.0	-47.53	357.00	8.26	-39.27
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020267859	1	43	-1.0	-47.55	357.02	8.25	-39.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(C)C=C2)CC1	REAL300020267860	0	53	-1.0	-47.81	408.97	8.31	-39.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(C)C=C2)CC1	REAL300020267860	1	53	-1.0	-47.80	409.02	8.33	-39.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(C)C=C2)CC1	REAL300020267861	0	50	-1.0	-46.63	403.74	7.76	-38.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(C)C=C2)CC1	REAL300020267861	1	50	-1.0	-46.64	403.80	7.79	-38.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NCC(C)(C)S2)CC1	REAL300020267862	0	52	-1.0	-41.85	423.29	7.02	-34.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NCC(C)(C)S2)CC1	REAL300020267862	1	52	-1.0	-41.91	423.35	7.03	-34.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NCC(C)(C)S2)CC1	REAL300020267863	0	49	-1.0	-43.63	401.79	6.23	-37.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NCC(C)(C)S2)CC1	REAL300020267863	1	49	-1.0	-43.62	401.85	6.26	-37.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020267864	0	52	-1.0	-43.88	422.89	6.58	-37.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020267864	1	52	-1.0	-43.93	422.95	6.59	-37.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020267864	1	51	-2.0	-84.30	419.32	7.35	-76.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020267864	1	51	-2.0	-84.29	419.38	7.37	-76.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020267865	0	49	-1.0	-45.73	401.05	5.97	-39.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL300020267865	1	49	-1.0	-45.77	401.10	5.98	-39.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020267865	1	48	-2.0	-87.78	397.48	6.74	-81.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020267865	1	48	-2.0	-87.78	397.54	6.76	-81.02
CCOC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2)=N1	REAL300020267866	0	54	-1.0	-42.11	436.34	6.10	-36.01
CCOC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CC2)=N1	REAL300020267866	1	54	-1.0	-42.13	436.28	6.08	-36.05
CCOC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)=N1	REAL300020267867	0	51	-1.0	-43.58	414.83	5.32	-38.26
CCOC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)=N1	REAL300020267867	1	51	-1.0	-43.54	414.77	5.30	-38.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(C#N)=C2)CC1	REAL300020267868	0	51	-1.0	-44.00	419.37	8.87	-35.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(C#N)=C2)CC1	REAL300020267868	1	51	-1.0	-44.01	419.43	8.89	-35.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(C#N)=C2)CC1	REAL300020267869	0	48	-1.0	-47.10	397.65	8.25	-38.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(C#N)=C2)CC1	REAL300020267869	1	48	-1.0	-47.11	397.70	8.27	-38.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C1=CC=CC=C1	REAL300020267870	0	52	-1.0	-40.29	423.92	11.17	-29.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C1=CC=CC=C1	REAL300020267870	1	52	-1.0	-40.28	423.98	11.19	-29.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C1=CC=CC=C1	REAL300020267871	0	49	-1.0	-44.67	402.48	10.40	-34.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C1=CC=CC=C1	REAL300020267871	1	49	-1.0	-44.69	402.42	10.38	-34.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020267872	0	52	0.0	-61.04	395.75	8.51	-52.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020267872	1	52	0.0	-61.05	395.81	8.52	-52.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020267873	0	49	0.0	-61.31	374.25	7.71	-53.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020267873	1	49	0.0	-61.32	374.30	7.74	-53.58
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020267874	0	56	0.0	-65.44	422.26	10.51	-54.93
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020267874	1	56	0.0	-65.46	422.24	10.50	-54.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020267875	0	45	-1.0	-40.01	389.83	9.25	-30.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020267875	1	45	-1.0	-39.99	389.89	9.27	-30.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020267876	0	42	-1.0	-42.16	359.39	8.07	-34.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020267876	1	42	-1.0	-42.14	359.33	8.04	-34.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300020267877	0	50	-1.0	-45.82	412.74	7.73	-38.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300020267877	1	50	-1.0	-45.82	412.79	7.74	-38.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300020267878	0	47	-1.0	-46.68	390.59	7.15	-39.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300020267878	1	47	-1.0	-46.66	390.66	7.17	-39.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020267879	0	56	-1.0	-47.04	433.85	8.37	-38.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020267879	1	56	-1.0	-47.08	433.91	8.39	-38.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020267880	0	53	-1.0	-49.20	416.83	7.51	-41.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020267880	1	53	-1.0	-49.18	416.89	7.54	-41.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020267881	0	46	-1.0	-43.46	370.19	3.58	-39.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020267881	1	46	-1.0	-43.43	370.25	3.60	-39.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020267882	0	43	-1.0	-44.83	349.30	2.75	-42.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020267882	1	43	-1.0	-44.87	349.36	2.77	-42.10
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020267883	0	50	-1.0	-45.55	397.54	5.53	-40.02
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020267883	1	50	-1.0	-45.51	397.58	5.51	-40.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2Cl)C1	REAL300020267884	0	44	-1.0	-44.72	378.79	7.45	-37.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2Cl)C1	REAL300020267884	1	44	-1.0	-44.75	378.85	7.47	-37.28
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC[N@@H+]1CCOC	REAL300020267885	0	58	0.0	-64.67	437.49	7.77	-56.90
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC[N@H+]1CCOC	REAL300020267885	1	58	0.0	-66.55	420.84	7.80	-58.75
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CCN1CCOC	REAL300020267885	1	57	-1.0	-41.96	430.70	5.30	-36.66
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC[N@@H+]1CCOC	REAL300020267886	0	55	0.0	-65.95	405.29	6.43	-59.52
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC[N@H+]1CCOC	REAL300020267886	1	55	0.0	-61.04	407.02	7.07	-53.97
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CCN1CCOC	REAL300020267886	1	54	-1.0	-43.36	414.28	5.29	-38.07
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC[N@@H+]1CC1=CC=CC=C1	REAL300020267887	0	58	0.0	-61.39	432.29	10.30	-51.09
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC[N@H+]1CC1=CC=CC=C1	REAL300020267887	1	58	0.0	-60.72	432.24	10.32	-50.40
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC[N@@H+]1CC1=CC=CC=C1	REAL300020267887	1	58	0.0	-61.40	432.34	10.33	-51.07
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC[N@H+]1CC1=CC=CC=C1	REAL300020267887	1	58	0.0	-60.72	432.30	10.33	-50.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020267888	0	45	-1.0	-43.72	368.68	5.47	-38.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020267888	1	45	-1.0	-43.75	368.74	5.48	-38.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020267889	0	42	-1.0	-45.16	347.18	4.68	-40.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020267889	1	42	-1.0	-45.13	347.24	4.70	-40.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020267890	0	48	-1.0	-41.10	366.63	4.78	-36.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020267890	1	48	-1.0	-41.09	366.68	4.80	-36.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020267891	0	45	-1.0	-43.80	350.10	4.20	-39.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020267891	1	45	-1.0	-43.82	350.16	4.22	-39.60
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020267892	0	52	-1.0	-44.36	391.55	6.89	-37.47
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020267892	1	52	-1.0	-44.34	391.58	6.88	-37.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020267893	0	51	-1.0	-40.53	396.35	5.60	-34.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020267893	1	51	-1.0	-40.53	396.41	5.61	-34.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020267894	0	48	-1.0	-43.48	371.07	4.94	-38.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020267894	1	48	-1.0	-43.52	371.14	4.97	-38.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020267895	0	51	-1.0	-41.14	396.33	6.07	-35.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020267895	1	51	-1.0	-41.14	396.39	6.09	-35.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020267896	0	48	-1.0	-42.77	375.49	5.09	-37.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020267896	1	48	-1.0	-42.79	375.55	5.12	-37.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020267897	0	48	-1.0	-40.79	380.40	4.50	-36.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020267897	1	48	-1.0	-40.80	380.45	4.51	-36.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020267898	0	45	-1.0	-42.31	358.17	3.68	-38.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020267898	1	45	-1.0	-42.35	358.23	3.70	-38.65
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020267899	0	52	-1.0	-44.45	397.39	6.54	-37.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020267899	1	52	-1.0	-44.41	397.43	6.53	-37.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Br)=CC=C1F	REAL300020267900	0	39	-1.0	-42.14	352.02	7.49	-34.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Br)=CC=C1F	REAL300020267900	1	39	-1.0	-42.17	352.07	7.51	-34.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020267901	0	53	-1.0	-43.22	423.47	7.13	-36.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020267901	1	53	-1.0	-43.26	423.53	7.15	-36.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020267902	0	50	-1.0	-45.14	406.07	6.44	-38.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020267902	1	50	-1.0	-45.18	406.12	6.46	-38.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020267903	0	53	-1.0	-39.18	411.91	8.13	-31.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020267903	1	53	-1.0	-39.17	411.97	8.14	-31.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020267904	0	50	-1.0	-41.21	391.11	7.33	-33.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020267904	1	50	-1.0	-41.18	391.17	7.36	-33.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(OC)C=C2)CC1	REAL300020267905	0	56	-1.0	-43.00	440.28	9.56	-33.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(OC)C=C2)CC1	REAL300020267905	1	56	-1.0	-42.96	440.34	9.57	-33.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(OC)C=C2)CC1	REAL300020267906	0	53	-1.0	-45.77	417.31	9.07	-36.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(OC)C=C2)CC1	REAL300020267906	1	53	-1.0	-45.73	417.36	9.10	-36.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020267907	0	50	-1.0	-43.07	398.38	8.19	-34.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020267907	1	50	-1.0	-43.06	398.44	8.20	-34.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020267908	0	47	-1.0	-46.03	373.10	7.31	-38.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020267908	1	47	-1.0	-46.07	373.15	7.33	-38.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020267909	0	51	-1.0	-39.67	394.53	8.81	-30.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020267909	1	51	-1.0	-39.69	394.59	8.82	-30.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020267910	0	48	-1.0	-41.51	373.02	8.02	-33.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020267910	1	48	-1.0	-41.54	373.08	8.05	-33.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1CCCCC1	REAL300020267911	0	55	-1.0	-41.59	420.86	10.82	-30.77
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1CCCCC1	REAL300020267911	1	55	-1.0	-41.54	420.89	10.81	-30.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020267912	0	49	-1.0	-40.49	401.10	7.84	-32.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020267912	1	49	-1.0	-40.50	401.15	7.85	-32.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020267913	0	46	-1.0	-43.18	375.70	7.09	-36.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020267913	1	46	-1.0	-43.17	375.64	7.08	-36.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2CCCCC2)CC1	REAL300020267914	0	56	-1.0	-45.62	429.66	8.46	-37.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2CCCCC2)CC1	REAL300020267914	1	56	-1.0	-45.59	429.72	8.49	-37.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2=CC=CC(F)=C2)CC1	REAL300020267915	0	50	-1.0	-48.51	409.13	7.52	-40.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2=CC=CC(F)=C2)CC1	REAL300020267915	1	50	-1.0	-48.56	409.19	7.55	-41.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020267916	0	49	-1.0	-41.44	387.26	9.36	-32.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020267916	1	49	-1.0	-41.42	387.32	9.38	-32.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020267917	0	46	-1.0	-44.02	365.42	8.69	-35.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020267917	1	46	-1.0	-44.04	365.46	8.70	-35.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020267918	0	52	-1.0	-42.64	417.19	10.32	-32.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020267918	1	52	-1.0	-42.62	417.25	10.34	-32.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020267919	0	49	-1.0	-45.30	394.22	9.84	-35.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020267919	1	49	-1.0	-45.32	394.28	9.86	-35.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020267920	0	41	-1.0	-49.63	330.34	3.43	-46.20
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020267920	1	41	-1.0	-49.58	330.38	3.42	-46.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020267921	0	54	-1.0	-47.84	430.47	3.85	-43.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020267921	1	54	-1.0	-47.80	430.52	3.87	-43.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020267922	0	51	-1.0	-51.64	408.83	3.06	-48.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020267922	1	51	-1.0	-51.67	408.89	3.09	-48.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020267923	0	52	-1.0	-47.94	416.05	3.78	-44.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020267923	1	52	-1.0	-47.94	416.11	3.79	-44.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020267924	0	49	-1.0	-49.20	398.22	3.12	-46.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020267924	1	49	-1.0	-49.24	398.28	3.14	-46.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)CC1	REAL300020267925	0	53	-1.0	-45.22	428.64	7.57	-37.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)CC1	REAL300020267925	1	53	-1.0	-45.21	428.70	7.59	-37.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020267926	0	49	-1.0	-45.35	407.79	6.07	-39.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020267926	1	49	-1.0	-45.38	407.85	6.09	-39.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020267927	0	46	-1.0	-46.15	386.19	5.32	-40.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020267927	1	46	-1.0	-46.17	386.25	5.34	-40.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NCCOC)CC1	REAL300020267928	0	55	-1.0	-48.05	443.44	2.11	-45.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NCCOC)CC1	REAL300020267928	1	55	-1.0	-48.05	443.49	2.13	-45.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NCCOC)CC1	REAL300020267929	0	52	-1.0	-49.93	421.71	1.32	-48.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NCCOC)CC1	REAL300020267929	1	52	-1.0	-49.96	421.76	1.34	-48.62
CCNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267930	0	48	-1.0	-47.44	371.14	4.73	-42.71
CCNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267930	1	48	-1.0	-47.38	371.19	4.74	-42.64
CCNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267931	0	45	-1.0	-48.73	365.53	3.98	-44.75
CCNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267931	1	45	-1.0	-48.78	365.59	4.00	-44.78
CCNC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020267932	0	52	-1.0	-48.74	415.14	6.91	-41.83
CCNC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020267932	1	52	-1.0	-48.68	415.19	6.90	-41.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020267933	0	46	-1.0	-45.76	368.75	4.52	-41.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020267933	1	46	-1.0	-45.78	368.81	4.53	-41.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020267934	0	43	-1.0	-45.94	347.26	3.73	-42.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020267934	1	43	-1.0	-45.98	347.31	3.76	-42.22
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020267935	0	50	-1.0	-46.24	397.74	6.38	-39.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020267935	1	50	-1.0	-46.18	397.78	6.37	-39.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020267936	0	53	-1.0	-47.40	428.04	7.50	-39.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020267936	1	53	-1.0	-47.43	428.10	7.52	-39.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020267937	0	50	-1.0	-51.19	406.20	6.89	-44.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CC=C2)CC1	REAL300020267937	1	50	-1.0	-51.20	406.26	6.90	-44.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(=O)NC2CC2)CC1	REAL300020267938	0	55	-1.0	-48.43	420.87	4.17	-44.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(=O)NC2CC2)CC1	REAL300020267938	1	55	-1.0	-48.45	420.93	4.19	-44.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(=O)NC2CC2)CC1	REAL300020267939	0	52	-1.0	-48.67	410.24	3.45	-45.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(=O)NC2CC2)CC1	REAL300020267939	1	52	-1.0	-48.66	410.29	3.47	-45.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020267940	0	50	-1.0	-45.01	400.60	7.69	-37.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020267940	1	50	-1.0	-45.00	400.66	7.70	-37.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020267941	0	47	-1.0	-45.58	390.55	7.16	-38.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020267941	1	47	-1.0	-45.57	390.61	7.18	-38.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020267942	0	45	-1.0	-42.66	365.64	6.98	-35.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020267942	1	45	-1.0	-42.63	365.69	7.00	-35.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020267943	0	42	-1.0	-43.24	344.14	6.20	-37.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020267943	1	42	-1.0	-43.27	344.19	6.22	-37.05
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020267944	0	49	-1.0	-43.71	394.63	8.85	-34.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020267944	1	49	-1.0	-43.65	394.66	8.84	-34.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020267945	0	47	-1.0	-50.28	395.90	6.65	-43.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020267945	1	47	-1.0	-50.23	395.96	6.66	-43.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020267946	0	44	-1.0	-49.64	374.42	5.89	-43.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020267946	1	44	-1.0	-49.58	374.37	5.86	-43.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020267947	0	46	-1.0	-41.26	382.92	7.49	-33.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020267947	1	46	-1.0	-41.21	382.97	7.51	-33.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020267948	0	43	-1.0	-43.36	360.44	6.72	-36.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020267948	1	43	-1.0	-43.35	360.49	6.74	-36.61
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020267949	0	50	-1.0	-44.11	405.62	9.50	-34.61
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020267949	1	50	-1.0	-44.08	405.67	9.49	-34.59
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C=C1OC	REAL300020267950	0	53	-1.0	-42.55	432.22	7.88	-34.67
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C=C1OC	REAL300020267950	1	53	-1.0	-42.55	432.27	7.89	-34.66
CCOC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C=C1OC	REAL300020267951	0	50	-1.0	-44.66	406.66	7.15	-37.51
CCOC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C=C1OC	REAL300020267951	1	50	-1.0	-44.67	406.72	7.17	-37.50
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C=C1	REAL300020267952	0	49	-1.0	-40.32	402.68	8.02	-32.30
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C=C1	REAL300020267952	1	49	-1.0	-40.37	402.74	8.03	-32.34
CCOC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C=C1	REAL300020267953	0	46	-1.0	-42.29	381.09	7.26	-35.03
CCOC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C=C1	REAL300020267953	1	46	-1.0	-42.29	381.15	7.29	-35.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Br	REAL300020267954	0	42	-1.0	-40.76	367.80	8.56	-32.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Br	REAL300020267954	1	42	-1.0	-40.78	367.85	8.58	-32.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Br	REAL300020267955	0	39	-1.0	-43.83	347.41	7.62	-36.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Br	REAL300020267955	1	39	-1.0	-43.83	347.44	7.64	-36.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020267956	0	46	-1.0	-41.53	374.59	7.34	-34.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020267956	1	46	-1.0	-41.51	374.65	7.35	-34.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020267957	0	43	-1.0	-44.27	353.33	6.60	-37.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020267957	1	43	-1.0	-44.27	353.27	6.57	-37.70
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020267958	0	50	-1.0	-43.01	408.36	9.20	-33.81
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020267958	1	50	-1.0	-43.01	408.38	9.19	-33.82
CCC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C=C1	REAL300020267959	0	48	-1.0	-39.45	394.22	9.23	-30.22
CCC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C=C1	REAL300020267959	1	48	-1.0	-39.44	394.28	9.25	-30.19
CCC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C=C1	REAL300020267960	0	45	-1.0	-41.88	372.69	8.50	-33.38
CCC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C=C1	REAL300020267960	1	45	-1.0	-41.90	372.63	8.48	-33.42
CCC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C=C1	REAL300020267961	0	52	-1.0	-42.15	415.27	11.31	-30.84
CCC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C=C1	REAL300020267961	1	52	-1.0	-42.07	415.28	11.28	-30.79
CCC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C2=CC=CC=C2O1	REAL300020267962	0	51	-1.0	-41.44	414.88	9.86	-31.58
CCC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C2=CC=CC=C2O1	REAL300020267962	1	51	-1.0	-41.40	414.93	9.87	-31.53
CCC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C2=CC=CC=C2O1	REAL300020267963	0	48	-1.0	-43.80	393.93	8.77	-35.03
CCC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C2=CC=CC=C2O1	REAL300020267963	1	48	-1.0	-43.81	393.88	8.74	-35.07
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C=C1	REAL300020267964	0	56	-1.0	-40.16	446.53	10.13	-30.03
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C=C1	REAL300020267964	1	56	-1.0	-40.16	446.59	10.14	-30.02
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C=C1	REAL300020267965	0	53	-1.0	-42.79	424.86	9.34	-33.45
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C=C1	REAL300020267965	1	53	-1.0	-42.86	424.92	9.37	-33.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CN(CC)C2=CC=CC=C2O1	REAL300020267966	0	55	-1.0	-42.05	429.78	6.96	-35.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CN(CC)C2=CC=CC=C2O1	REAL300020267966	1	55	-1.0	-42.09	429.84	6.98	-35.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CN(CC)C2=CC=CC=C2O1	REAL300020267967	0	52	-1.0	-43.78	399.17	6.41	-37.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CN(CC)C2=CC=CC=C2O1	REAL300020267967	1	52	-1.0	-43.79	399.23	6.42	-37.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020267968	0	46	-1.0	-41.33	371.07	7.84	-33.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020267968	1	46	-1.0	-41.27	371.13	7.85	-33.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020267969	0	43	-1.0	-42.13	363.90	7.09	-35.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020267969	1	43	-1.0	-42.14	363.96	7.11	-35.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020267970	0	46	-1.0	-42.01	394.97	7.90	-34.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020267970	1	46	-1.0	-41.97	395.02	7.92	-34.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020267971	0	43	-1.0	-43.74	377.17	7.24	-36.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020267971	1	43	-1.0	-43.77	377.23	7.27	-36.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020267972	0	46	-1.0	-40.95	398.98	8.04	-32.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020267972	1	46	-1.0	-40.95	399.04	8.06	-32.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020267973	0	43	-1.0	-44.46	376.47	7.28	-37.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020267973	1	43	-1.0	-44.48	376.53	7.30	-37.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020267974	0	54	-1.0	-39.48	425.66	8.17	-31.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020267974	1	54	-1.0	-39.47	425.72	8.18	-31.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020267975	0	51	-1.0	-41.53	408.12	7.56	-33.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020267975	1	51	-1.0	-41.56	408.18	7.58	-33.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020267976	0	46	-1.0	-41.98	389.15	7.56	-34.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020267976	1	46	-1.0	-42.03	389.21	7.57	-34.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020267977	0	43	-1.0	-45.98	366.66	6.79	-39.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020267977	1	43	-1.0	-45.99	366.72	6.81	-39.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020267978	0	49	-1.0	-40.79	398.32	8.39	-32.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020267978	1	49	-1.0	-40.78	398.38	8.41	-32.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020267979	0	46	-1.0	-43.24	380.53	7.48	-35.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020267979	1	46	-1.0	-43.18	380.59	7.50	-35.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(CC2=CC=CC=C2)N=C1	REAL300020267980	0	52	-1.0	-42.95	436.44	9.42	-33.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(CC2=CC=CC=C2)N=C1	REAL300020267980	1	52	-1.0	-42.94	436.38	9.40	-33.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(CC2=CC=CC=C2)N=C1	REAL300020267981	0	49	-1.0	-45.65	414.59	8.70	-36.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(CC2=CC=CC=C2)N=C1	REAL300020267981	1	49	-1.0	-45.63	414.53	8.68	-36.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C(C)=O)C=C2F)CC1	REAL300020267982	0	50	-1.0	-50.03	410.52	7.12	-42.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C(C)=O)C=C2F)CC1	REAL300020267982	1	50	-1.0	-50.01	410.58	7.15	-42.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C)=[NH+]C(C(C)C)=N2)CC1	REAL300020267983	0	56	0.0	-58.83	440.50	7.94	-50.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C)=NC(C(C)C)=N2)CC1	REAL300020267983	1	55	-1.0	-43.43	440.75	7.24	-36.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C)=NC(C(C)C)=N2)CC1	REAL300020267983	1	55	-1.0	-43.39	440.81	7.26	-36.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)NC3=CC=CC=C32)CC1	REAL300020267984	0	50	-1.0	-47.16	406.33	7.16	-40.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)NC3=CC=CC=C32)CC1	REAL300020267984	1	50	-1.0	-47.15	406.39	7.19	-39.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020267985	0	44	-1.0	-45.27	371.14	2.60	-42.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020267985	1	44	-1.0	-45.27	371.20	2.62	-42.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020267986	0	41	-1.0	-46.75	349.67	1.82	-44.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020267986	1	41	-1.0	-46.74	349.72	1.84	-44.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N2CCCCC2)CC1	REAL300020267987	0	55	-1.0	-49.29	425.82	5.35	-43.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N2CCCCC2)CC1	REAL300020267987	1	55	-1.0	-49.29	425.89	5.38	-43.91
CCN(CC)C(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020267988	0	57	-1.0	-47.69	447.73	6.00	-41.69
CCN(CC)C(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020267988	1	57	-1.0	-47.75	447.79	6.02	-41.73
CCN(CC)C(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020267989	0	54	-1.0	-51.54	426.09	5.21	-46.33
CCN(CC)C(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020267989	1	54	-1.0	-51.56	426.15	5.24	-46.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020267990	0	50	-1.0	-44.44	392.75	5.45	-38.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020267990	1	50	-1.0	-44.46	392.81	5.46	-39.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020267991	0	47	-1.0	-44.65	381.69	5.06	-39.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020267991	1	47	-1.0	-44.62	381.74	5.09	-39.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020267992	0	51	-1.0	-40.62	402.31	7.61	-33.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020267992	1	51	-1.0	-40.60	402.37	7.63	-32.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020267993	0	48	-1.0	-42.65	384.49	6.95	-35.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020267993	1	48	-1.0	-42.62	384.54	6.98	-35.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020267994	0	48	-1.0	-43.26	378.49	5.44	-37.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020267994	1	48	-1.0	-43.28	378.55	5.46	-37.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020267995	0	45	-1.0	-44.30	368.39	4.85	-39.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020267995	1	45	-1.0	-44.30	368.45	4.88	-39.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020267996	0	43	-1.0	-39.79	344.37	5.26	-34.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020267996	1	43	-1.0	-39.80	344.43	5.27	-34.53
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020267997	0	47	-1.0	-43.05	364.70	7.25	-35.80
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020267997	1	47	-1.0	-43.06	364.73	7.24	-35.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020267998	0	55	0.0	-71.29	422.07	10.37	-60.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020267998	1	55	0.0	-71.31	422.13	10.38	-60.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020267999	0	52	0.0	-67.61	412.71	9.63	-57.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020267999	1	52	0.0	-67.63	412.77	9.66	-57.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020268000	0	48	-1.0	-41.40	409.13	7.47	-33.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020268000	1	48	-1.0	-41.43	409.19	7.49	-33.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020268001	0	45	-1.0	-43.34	387.53	6.72	-36.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020268001	1	45	-1.0	-43.32	387.58	6.75	-36.57
CCOC1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)C=C1	REAL300020268002	0	55	-1.0	-43.84	438.32	6.59	-37.25
CCOC1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020268002	1	55	-1.0	-43.84	438.38	6.61	-37.23
CCOC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020268002	1	56	0.0	-71.19	437.70	9.08	-62.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020268003	0	44	-1.0	-41.10	360.23	4.34	-36.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020268003	1	44	-1.0	-41.10	360.29	4.36	-36.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020268004	0	41	-1.0	-43.09	338.96	3.57	-39.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020268004	1	41	-1.0	-43.13	339.02	3.60	-39.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)CC1	REAL300020268005	0	48	-1.0	-41.93	384.09	3.57	-38.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)CC1	REAL300020268005	1	48	-1.0	-41.95	384.15	3.59	-38.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020268005	1	49	0.0	-66.65	373.59	5.79	-60.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)CC1	REAL300020268006	0	45	-1.0	-44.24	362.57	2.75	-41.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)CC1	REAL300020268006	1	45	-1.0	-44.23	362.63	2.77	-41.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020268006	1	46	0.0	-63.52	363.88	5.07	-58.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CCOC)CC1	REAL300020268007	0	52	-1.0	-43.59	412.63	5.54	-38.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CCOC)CC1	REAL300020268007	1	52	-1.0	-43.56	412.67	5.53	-38.03
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020268007	1	53	0.0	-72.55	403.29	7.87	-64.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=C(C)C=C2)CC1	REAL300020268008	0	58	-1.0	-40.93	454.45	11.77	-29.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=C(C)C=C2)CC1	REAL300020268008	1	58	-1.0	-40.87	454.50	11.79	-29.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=C(C)C=C2)CC1	REAL300020268009	0	55	-1.0	-43.51	432.60	11.16	-32.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=C(C)C=C2)CC1	REAL300020268009	1	55	-1.0	-43.52	432.66	11.18	-32.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020268010	0	45	-1.0	-45.34	367.02	6.64	-38.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020268010	1	45	-1.0	-45.35	367.08	6.66	-38.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020268011	0	42	-1.0	-46.40	349.26	5.98	-40.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020268011	1	42	-1.0	-46.44	349.32	6.00	-40.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020268012	0	49	-1.0	-48.97	386.98	8.83	-40.14
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020268012	1	49	-1.0	-48.87	387.01	8.82	-40.05
CCOCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020268013	0	46	-1.0	-42.00	375.83	6.92	-35.08
CCOCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020268013	1	46	-1.0	-41.99	375.87	6.91	-35.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020268014	0	49	-1.0	-46.73	387.84	4.44	-42.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020268014	1	49	-1.0	-46.70	387.90	4.46	-42.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020268015	0	46	-1.0	-47.65	366.34	3.66	-43.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020268015	1	46	-1.0	-47.65	366.40	3.68	-43.97
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020268016	0	53	-1.0	-47.79	416.83	6.31	-41.48
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020268016	1	53	-1.0	-47.74	416.87	6.30	-41.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020268017	0	54	-1.0	-41.90	426.23	5.30	-36.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020268017	1	54	-1.0	-41.85	426.28	5.32	-36.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020268017	1	55	0.0	-65.43	423.59	7.47	-57.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020268018	0	51	-1.0	-44.10	404.70	4.48	-39.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020268018	1	51	-1.0	-44.07	404.76	4.50	-39.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020268018	1	52	0.0	-64.16	401.61	6.87	-57.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020268019	0	47	-1.0	-39.87	387.94	3.42	-36.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020268019	1	47	-1.0	-39.88	388.00	3.44	-36.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020268020	0	44	-1.0	-40.19	378.18	2.56	-37.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020268020	1	44	-1.0	-40.19	378.23	2.59	-37.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020268021	0	49	-1.0	-40.78	385.67	6.42	-34.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020268021	1	49	-1.0	-40.73	385.73	6.43	-34.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020268022	0	46	-1.0	-42.51	364.16	5.64	-36.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020268022	1	46	-1.0	-42.51	364.22	5.66	-36.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1CCOCC1	REAL300020268023	0	53	-1.0	-43.27	409.98	8.57	-34.70
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1CCOCC1	REAL300020268023	1	53	-1.0	-43.30	410.03	8.55	-34.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020268024	0	47	-1.0	-40.35	366.66	6.54	-33.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020268024	1	47	-1.0	-40.37	366.71	6.55	-33.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020268025	0	44	-1.0	-42.08	345.92	5.54	-36.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020268025	1	44	-1.0	-42.11	345.97	5.57	-36.54
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020268026	0	51	-1.0	-42.45	393.64	8.55	-33.90
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020268026	1	51	-1.0	-42.41	393.25	8.53	-33.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020268027	0	53	0.0	-68.47	390.33	6.55	-61.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020268027	1	53	0.0	-68.47	390.38	6.57	-61.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020268028	0	50	0.0	-65.06	376.59	5.60	-59.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020268028	1	50	0.0	-65.04	376.65	5.62	-59.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020268029	0	48	-1.0	-43.15	407.14	7.69	-35.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020268029	1	48	-1.0	-43.17	407.19	7.71	-35.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020268030	0	45	-1.0	-44.20	385.63	6.91	-37.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020268030	1	45	-1.0	-44.20	385.69	6.93	-37.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020268031	0	50	-1.0	-42.84	387.98	7.92	-34.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020268031	1	50	-1.0	-42.86	388.03	7.93	-34.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020268032	0	47	-1.0	-44.91	365.88	7.38	-37.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020268032	1	47	-1.0	-44.91	365.93	7.41	-37.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)C2=CC=C(F)C=C2)C1	REAL300020268033	0	51	-1.0	-47.72	421.50	9.76	-37.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)C2=CC=C(F)C=C2)C1	REAL300020268033	1	51	-1.0	-47.71	421.56	9.78	-37.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)C2=CC=C(F)C=C2)C1	REAL300020268034	0	48	-1.0	-51.23	400.87	8.78	-42.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)C2=CC=C(F)C=C2)C1	REAL300020268034	1	48	-1.0	-51.24	400.92	8.80	-42.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020268035	0	47	-1.0	-42.12	394.75	5.78	-36.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020268035	1	47	-1.0	-42.12	394.81	5.80	-36.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020268036	0	44	-1.0	-43.68	369.69	5.10	-38.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020268036	1	44	-1.0	-43.67	369.74	5.13	-38.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])N=C2)CC1	REAL300020268037	0	49	-1.0	-47.26	408.72	6.94	-40.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])N=C2)CC1	REAL300020268037	1	49	-1.0	-47.24	408.66	6.92	-40.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])N=C2)CC1	REAL300020268038	0	46	-1.0	-47.84	386.51	6.35	-41.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C([N+](=O)[O-])N=C2)CC1	REAL300020268038	1	46	-1.0	-47.87	386.46	6.33	-41.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020268039	0	56	0.0	-70.79	420.21	7.68	-63.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020268040	0	53	0.0	-70.82	398.19	6.97	-63.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020268040	1	53	0.0	-70.83	398.24	7.00	-63.83
CCCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020268041	0	60	0.0	-69.53	448.50	10.19	-59.34
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020268041	1	60	0.0	-70.73	447.19	10.50	-60.23
CCCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020268041	1	60	0.0	-69.55	448.55	10.21	-59.34
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020268041	1	60	0.0	-70.69	447.25	10.51	-60.18
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020268042	0	57	0.0	-70.75	426.59	9.58	-61.17
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020268042	1	57	0.0	-69.04	430.77	9.52	-59.52
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020268042	1	57	0.0	-70.76	426.65	9.59	-61.17
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020268042	1	57	0.0	-69.00	430.83	9.55	-59.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020268043	0	61	0.0	-68.81	438.95	10.25	-58.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020268043	1	61	0.0	-68.79	439.00	10.26	-58.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020268044	0	58	0.0	-69.23	416.53	9.52	-59.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020268044	1	58	0.0	-69.24	416.58	9.55	-59.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020268045	0	42	-1.0	-40.98	371.88	8.37	-32.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020268045	1	42	-1.0	-40.96	371.94	8.38	-32.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020268046	0	39	-1.0	-44.28	352.80	7.63	-36.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020268046	1	39	-1.0	-44.31	352.85	7.66	-36.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020268047	0	50	-1.0	-48.31	413.66	3.15	-45.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020268047	1	50	-1.0	-48.36	413.72	3.17	-45.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020268048	0	47	-1.0	-49.31	393.03	2.17	-47.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020268048	1	47	-1.0	-49.29	393.08	2.19	-47.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020268049	0	52	0.0	-69.33	420.86	9.42	-59.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CC=CS2)CC1	REAL300020268049	1	51	-1.0	-40.37	418.30	7.14	-33.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CC=CS2)CC1	REAL300020268049	1	51	-1.0	-40.37	418.36	7.16	-33.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020268050	0	49	0.0	-68.04	399.01	8.78	-59.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020268050	1	49	0.0	-68.10	399.07	8.80	-59.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020268051	0	52	-1.0	-43.92	421.92	7.88	-36.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020268051	1	52	-1.0	-43.94	421.98	7.89	-36.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020268052	0	49	-1.0	-46.08	400.45	7.10	-38.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020268052	1	49	-1.0	-46.14	400.50	7.12	-39.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020268053	0	49	-1.0	-41.39	384.84	9.41	-31.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020268053	1	49	-1.0	-41.41	384.90	9.42	-31.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020268054	0	46	-1.0	-43.12	357.78	8.71	-34.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020268054	1	46	-1.0	-43.15	357.84	8.74	-34.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)CC1	REAL300020268055	0	47	-1.0	-42.93	392.84	8.43	-34.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)CC1	REAL300020268055	1	47	-1.0	-42.93	392.90	8.44	-34.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020268056	0	41	-1.0	-53.66	351.76	2.29	-51.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020268056	1	41	-1.0	-53.70	351.82	2.31	-51.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020268057	0	38	-1.0	-55.98	321.21	1.87	-54.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020268057	1	38	-1.0	-55.93	321.25	1.89	-54.04
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020268058	0	45	-1.0	-55.29	384.21	4.39	-50.90
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020268058	1	45	-1.0	-55.27	384.25	4.38	-50.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(OC)C=C2)CC1	REAL300020268059	0	54	-1.0	-41.54	426.88	8.04	-33.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(OC)C=C2)CC1	REAL300020268059	1	54	-1.0	-41.54	426.94	8.06	-33.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(OC)C=C2)CC1	REAL300020268060	0	51	-1.0	-43.33	406.22	7.16	-36.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(OC)C=C2)CC1	REAL300020268060	1	51	-1.0	-43.35	406.28	7.17	-36.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020268061	0	47	-1.0	-41.60	398.43	8.22	-33.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020268061	1	47	-1.0	-41.60	398.49	8.24	-33.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020268062	0	44	-1.0	-43.06	381.60	7.51	-35.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020268062	1	44	-1.0	-43.11	381.65	7.53	-35.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=N2)CC1	REAL300020268063	0	51	-1.0	-45.96	416.76	3.26	-42.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=N2)CC1	REAL300020268063	1	51	-1.0	-45.95	416.70	3.24	-42.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=N2)CC1	REAL300020268064	0	48	-1.0	-47.66	394.57	2.68	-44.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C(N)=O)C=N2)CC1	REAL300020268064	1	48	-1.0	-47.69	394.51	2.66	-45.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020268065	0	48	-1.0	-41.56	398.08	7.69	-33.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020268065	1	48	-1.0	-41.53	398.14	7.70	-33.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020268066	0	45	-1.0	-44.12	379.34	7.38	-36.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020268066	1	45	-1.0	-44.12	379.40	7.40	-36.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020268067	0	54	-1.0	-39.95	425.36	8.99	-30.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020268067	1	54	-1.0	-40.04	425.42	9.01	-31.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020268068	0	51	-1.0	-42.26	403.86	8.21	-34.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020268068	1	51	-1.0	-42.27	403.92	8.23	-34.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C2(CCCCC2)C1	REAL300020268069	0	56	-1.0	-44.15	412.96	8.12	-36.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C2(CCCCC2)C1	REAL300020268069	1	56	-1.0	-44.12	413.01	8.13	-35.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C2(CCCCC2)C1	REAL300020268070	0	53	-1.0	-49.67	389.45	7.54	-42.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C2(CCCCC2)C1	REAL300020268070	1	53	-1.0	-49.67	389.51	7.57	-42.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020268071	0	44	-1.0	-41.82	374.49	7.36	-34.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020268071	1	44	-1.0	-41.85	374.55	7.38	-34.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020268072	0	41	-1.0	-41.26	358.52	6.28	-34.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020268072	1	41	-1.0	-41.31	358.58	6.30	-35.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020268073	0	54	-1.0	-41.03	417.13	9.69	-31.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020268073	1	54	-1.0	-41.04	417.19	9.71	-31.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020268074	0	51	-1.0	-42.80	395.63	8.91	-33.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020268074	1	51	-1.0	-42.81	395.69	8.93	-33.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)C2(CCCCC2)C1	REAL300020268075	0	52	-1.0	-45.62	398.71	5.52	-40.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)C2(CCCCC2)C1	REAL300020268075	1	52	-1.0	-45.62	398.77	5.53	-40.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)C2(CCCCC2)C1	REAL300020268076	0	49	-1.0	-47.67	380.64	4.89	-42.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)C2(CCCCC2)C1	REAL300020268076	1	49	-1.0	-47.64	380.70	4.91	-42.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(OC)C(F)=C2)CC1	REAL300020268077	0	49	-1.0	-44.95	398.79	5.63	-39.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(OC)C(F)=C2)CC1	REAL300020268077	1	49	-1.0	-44.97	398.85	5.66	-39.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020268078	0	48	-1.0	-43.37	382.34	5.22	-38.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020268078	1	48	-1.0	-43.36	382.40	5.23	-38.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020268079	0	45	-1.0	-46.26	360.88	4.44	-41.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020268079	1	45	-1.0	-46.24	360.94	4.47	-41.77
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020268080	0	52	-1.0	-46.29	399.37	7.26	-39.03
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020268080	1	52	-1.0	-46.26	399.46	7.26	-39.00
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020268081	0	46	-1.0	-42.26	360.97	8.69	-33.57
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020268081	1	46	-1.0	-42.24	361.00	8.68	-33.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020268082	0	43	-1.0	-41.13	337.68	7.32	-33.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020268082	1	43	-1.0	-41.16	337.74	7.34	-33.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020268083	0	47	-1.0	-42.50	367.21	9.22	-33.28
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020268083	1	47	-1.0	-42.45	367.25	9.22	-33.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020268084	0	50	-1.0	-43.41	396.24	10.20	-33.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020268084	1	50	-1.0	-43.39	396.30	10.21	-33.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020268085	0	47	-1.0	-45.09	386.68	9.45	-35.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020268085	1	47	-1.0	-45.13	386.74	9.48	-35.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020268086	0	49	-1.0	-41.69	403.79	7.83	-33.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020268086	1	49	-1.0	-41.74	403.85	7.85	-33.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020268087	0	46	-1.0	-43.59	385.99	7.17	-36.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020268087	1	46	-1.0	-43.61	386.05	7.20	-36.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL300020268088	0	42	-1.0	-44.73	343.02	6.54	-38.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL300020268088	1	42	-1.0	-44.69	343.07	6.56	-38.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL300020268089	0	39	-1.0	-45.54	326.34	5.89	-39.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1	REAL300020268089	1	39	-1.0	-45.54	326.39	5.91	-39.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020268090	0	42	-1.0	-41.25	360.27	8.44	-32.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020268090	1	42	-1.0	-41.21	360.33	8.45	-32.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020268091	0	39	-1.0	-42.96	343.53	7.74	-35.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020268091	1	39	-1.0	-42.95	343.59	7.76	-35.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020268092	0	50	-1.0	-43.02	393.21	6.78	-36.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020268092	1	50	-1.0	-43.00	393.26	6.80	-36.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020268093	0	47	-1.0	-45.16	376.84	5.79	-39.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020268093	1	47	-1.0	-45.18	376.90	5.82	-39.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020268094	0	50	-1.0	-47.33	402.15	5.49	-41.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020268094	1	50	-1.0	-47.35	402.21	5.50	-41.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020268095	0	47	-1.0	-49.71	380.39	4.70	-45.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020268095	1	47	-1.0	-49.74	380.45	4.72	-45.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020268096	0	37	-1.0	-43.85	316.46	5.82	-38.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020268096	1	37	-1.0	-43.82	316.52	5.84	-37.98
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020268097	0	41	-1.0	-46.36	344.95	7.80	-38.56
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020268097	1	41	-1.0	-46.32	344.99	7.80	-38.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020268098	0	49	-1.0	-40.61	386.88	7.01	-33.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020268098	1	49	-1.0	-40.62	386.94	7.03	-33.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020268099	0	46	-1.0	-41.87	365.38	6.23	-35.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020268099	1	46	-1.0	-41.91	365.44	6.25	-35.66
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020268100	0	53	-1.0	-42.64	415.26	8.98	-33.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020268100	1	53	-1.0	-42.63	415.32	8.98	-33.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(CC(F)F)N=C2C1	REAL300020268101	0	46	-1.0	-47.39	385.86	6.67	-40.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(CC(F)F)N=C2C1	REAL300020268101	1	46	-1.0	-47.44	385.92	6.69	-40.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(CC(F)F)N=C2C1	REAL300020268102	0	43	-1.0	-48.76	360.73	5.42	-43.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(CC(F)F)N=C2C1	REAL300020268102	1	43	-1.0	-48.79	360.79	5.45	-43.34
CCOC1=CC(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)=NC=N1	REAL300020268103	0	53	-1.0	-45.10	426.83	5.80	-39.30
CCOC1=CC(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)=NC=N1	REAL300020268103	1	53	-1.0	-45.11	426.78	5.79	-39.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CC3=C(Cl)C=CC=C32)C1	REAL300020268104	0	47	-1.0	-41.48	397.74	9.86	-31.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CC3=C(Cl)C=CC=C32)C1	REAL300020268104	1	47	-1.0	-41.51	397.80	9.88	-31.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CC3=C(Cl)C=CC=C32)C1	REAL300020268105	0	44	-1.0	-43.14	376.21	9.07	-34.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CC3=C(Cl)C=CC=C32)C1	REAL300020268105	1	44	-1.0	-43.15	376.27	9.10	-34.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CC3=CC=C(Cl)C=C32)C1	REAL300020268106	0	47	-1.0	-40.67	397.60	9.85	-30.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CC3=CC=C(Cl)C=C32)C1	REAL300020268106	1	47	-1.0	-40.62	397.66	9.86	-30.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CC3=CC=C(Cl)C=C32)C1	REAL300020268107	0	44	-1.0	-42.82	376.07	9.06	-33.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CC3=CC=C(Cl)C=C32)C1	REAL300020268107	1	44	-1.0	-42.87	376.13	9.08	-33.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(F)(F)F)=C1	REAL300020268108	0	46	-1.0	-39.82	397.57	7.55	-32.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(F)(F)F)=C1	REAL300020268108	1	46	-1.0	-39.81	397.62	7.57	-32.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(F)(F)F)=C1	REAL300020268109	0	43	-1.0	-40.69	375.74	6.83	-33.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(F)(F)F)=C1	REAL300020268109	1	43	-1.0	-40.70	375.79	6.85	-33.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020268110	0	54	-1.0	-39.78	411.62	9.58	-30.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020268110	1	54	-1.0	-39.75	411.68	9.60	-30.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020268111	0	51	-1.0	-42.74	389.82	8.97	-33.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020268111	1	51	-1.0	-42.77	389.88	8.99	-33.78
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020268112	0	58	-1.0	-42.55	431.84	11.56	-30.99
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020268112	1	58	-1.0	-42.59	431.88	11.55	-31.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(OC)=C2)CC1	REAL300020268113	0	54	-1.0	-43.30	419.53	9.45	-33.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(OC)=C2)CC1	REAL300020268113	1	54	-1.0	-43.34	419.59	9.46	-33.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(OC)=C2)CC1	REAL300020268114	0	51	-1.0	-44.97	409.69	8.67	-36.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(OC)=C2)CC1	REAL300020268114	1	51	-1.0	-44.91	409.75	8.69	-36.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020268115	0	51	-1.0	-39.47	390.27	8.57	-30.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020268115	1	51	-1.0	-39.50	390.33	8.59	-30.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020268116	0	48	-1.0	-42.23	368.65	7.98	-34.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020268116	1	48	-1.0	-42.21	368.70	7.99	-34.22
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020268117	0	55	-1.0	-41.70	417.68	10.87	-30.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020268117	1	55	-1.0	-41.68	417.72	10.86	-30.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020268118	0	49	-1.0	-39.29	382.18	6.60	-32.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020268118	1	49	-1.0	-39.28	382.23	6.61	-32.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020268119	0	46	-1.0	-42.66	365.23	6.38	-36.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020268119	1	46	-1.0	-42.63	365.29	6.41	-36.22
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020268120	0	53	-1.0	-41.74	409.57	8.88	-32.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020268120	1	53	-1.0	-41.70	409.60	8.87	-32.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020268121	0	39	-1.0	-40.59	332.92	5.80	-34.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020268121	1	39	-1.0	-40.63	332.98	5.81	-34.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=COC=C1	REAL300020268122	0	43	-1.0	-43.57	350.13	7.82	-35.75
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=COC=C1	REAL300020268122	1	43	-1.0	-43.64	349.92	7.81	-35.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020268123	0	51	0.0	-62.16	369.70	7.33	-54.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020268123	1	51	0.0	-62.19	369.76	7.35	-54.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020268124	0	48	0.0	-58.87	360.33	6.60	-52.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020268124	1	48	0.0	-58.87	360.39	6.62	-52.25
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020268125	0	55	0.0	-65.81	410.21	9.38	-56.43
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020268125	1	55	0.0	-65.80	410.15	9.38	-56.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020268126	0	47	-1.0	-44.00	387.78	5.52	-38.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020268126	1	47	-1.0	-43.98	387.84	5.54	-38.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020268127	0	44	-1.0	-46.50	367.13	4.54	-41.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020268127	1	44	-1.0	-46.51	367.18	4.56	-41.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020268128	0	47	-1.0	-42.34	387.54	5.52	-36.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020268128	1	47	-1.0	-42.36	387.60	5.53	-36.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020268129	0	44	-1.0	-43.50	366.04	4.72	-38.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020268129	1	44	-1.0	-43.55	366.10	4.75	-38.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020268130	0	47	-1.0	-43.85	382.60	4.29	-39.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020268130	1	47	-1.0	-43.85	382.66	4.31	-39.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020268131	0	44	-1.0	-44.23	371.51	3.87	-40.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020268131	1	44	-1.0	-44.17	371.57	3.90	-40.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=C(C)S2)CC1	REAL300020268132	0	47	-1.0	-47.39	392.16	6.85	-40.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=C(C)S2)CC1	REAL300020268132	1	47	-1.0	-47.34	392.24	6.88	-40.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020268133	0	45	-1.0	-42.55	379.38	8.68	-33.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020268133	1	45	-1.0	-42.55	379.44	8.69	-33.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020268134	0	42	-1.0	-44.98	353.74	7.95	-37.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020268134	1	42	-1.0	-44.96	353.80	7.97	-36.99
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020268135	0	49	-1.0	-44.74	401.67	10.83	-33.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020268135	1	49	-1.0	-44.75	401.71	10.82	-33.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020268136	0	48	-1.0	-42.65	369.21	8.20	-34.45
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020268136	1	48	-1.0	-42.66	369.25	8.19	-34.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020268137	0	46	-1.0	-41.80	354.07	5.98	-35.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020268137	1	46	-1.0	-41.81	354.13	6.00	-35.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020268138	0	43	-1.0	-43.20	345.68	5.28	-37.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020268138	1	43	-1.0	-43.15	345.74	5.30	-37.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCCO1	REAL300020268139	0	50	-1.0	-43.07	391.62	8.18	-34.89
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCCO1	REAL300020268139	1	50	-1.0	-43.04	391.65	8.17	-34.87
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020268140	0	43	-1.0	-41.63	357.53	3.99	-37.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020268140	1	43	-1.0	-41.59	357.59	4.01	-37.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020268141	0	40	-1.0	-43.04	336.63	3.23	-39.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020268141	1	40	-1.0	-43.08	336.69	3.26	-39.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020268142	0	46	-1.0	-47.89	386.11	4.53	-43.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020268142	1	46	-1.0	-47.88	386.16	4.55	-43.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020268143	0	43	-1.0	-49.20	360.83	3.85	-45.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020268143	1	43	-1.0	-49.19	360.78	3.83	-45.36
CCCCCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020268144	0	56	-1.0	-39.52	438.62	10.21	-29.31
CCCCCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020268144	1	56	-1.0	-39.52	438.68	10.22	-29.30
CCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020268145	0	53	-1.0	-41.55	408.06	9.79	-31.76
CCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020268145	1	53	-1.0	-41.59	408.12	9.81	-31.78
CCCCCCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020268146	0	60	-1.0	-41.26	471.06	12.30	-28.96
CCCCCCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020268146	1	60	-1.0	-41.26	471.10	12.30	-28.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020268147	0	42	-1.0	-41.26	340.39	6.56	-34.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020268147	1	42	-1.0	-41.25	340.45	6.58	-34.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020268148	0	39	-1.0	-43.50	326.41	5.96	-37.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020268148	1	39	-1.0	-43.49	326.35	5.94	-37.55
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020268149	0	46	-1.0	-43.20	374.97	8.68	-34.52
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020268149	1	46	-1.0	-43.17	375.01	8.69	-34.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020268150	0	52	-1.0	-39.58	397.46	7.28	-32.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020268150	1	52	-1.0	-39.55	397.52	7.29	-32.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020268151	0	49	-1.0	-42.56	375.68	6.66	-35.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020268151	1	49	-1.0	-42.53	375.74	6.68	-35.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020268152	0	56	-1.0	-42.57	418.67	9.26	-33.31
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020268152	1	56	-1.0	-42.49	418.72	9.25	-33.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(C)=CC=C2C)CC1	REAL300020268153	0	56	-1.0	-40.56	439.72	10.09	-30.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(C)=CC=C2C)CC1	REAL300020268153	1	56	-1.0	-40.55	439.78	10.11	-30.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(C)=CC=C2C)CC1	REAL300020268154	0	53	-1.0	-43.18	418.03	9.37	-33.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(C)=CC=C2C)CC1	REAL300020268154	1	53	-1.0	-43.18	418.10	9.39	-33.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300020268155	0	50	-1.0	-48.95	414.23	9.02	-39.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300020268155	1	50	-1.0	-48.94	414.29	9.04	-39.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300020268156	0	47	-1.0	-51.39	392.56	8.27	-43.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300020268156	1	47	-1.0	-51.43	392.62	8.29	-43.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020268157	0	54	-1.0	-39.22	427.62	10.14	-29.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020268157	1	54	-1.0	-39.30	427.68	10.16	-29.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020268158	0	51	-1.0	-41.70	405.94	9.36	-32.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020268158	1	51	-1.0	-41.70	406.00	9.38	-32.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020268159	0	42	-1.0	-40.39	344.74	7.83	-32.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020268159	1	42	-1.0	-40.45	344.80	7.84	-32.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020268160	0	39	-1.0	-41.35	336.21	7.13	-34.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020268160	1	39	-1.0	-41.32	336.15	7.10	-34.22
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020268161	0	46	-1.0	-42.34	378.82	9.91	-32.43
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020268161	1	46	-1.0	-42.35	378.86	9.91	-32.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020268162	0	45	-1.0	-40.21	365.98	8.66	-31.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020268162	1	45	-1.0	-40.25	366.03	8.67	-31.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020268163	0	42	-1.0	-41.76	344.51	7.89	-33.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020268163	1	42	-1.0	-41.74	344.47	7.87	-33.87
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020268164	0	49	-1.0	-42.26	391.28	10.45	-31.81
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020268164	1	49	-1.0	-42.24	391.29	10.43	-31.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020268165	0	46	-1.0	-42.27	390.67	7.40	-34.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020268165	1	46	-1.0	-42.25	390.73	7.42	-34.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020268166	0	43	-1.0	-44.59	368.98	6.62	-37.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020268166	1	43	-1.0	-44.58	369.04	6.64	-37.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020268167	0	51	-1.0	-39.26	411.64	9.75	-29.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020268167	1	51	-1.0	-39.24	411.70	9.77	-29.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020268168	0	48	-1.0	-41.77	390.02	8.99	-32.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020268168	1	48	-1.0	-41.79	389.96	8.97	-32.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020268169	0	54	-1.0	-40.12	427.55	8.53	-31.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020268169	1	54	-1.0	-40.11	427.60	8.55	-31.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020268170	0	51	-1.0	-42.17	407.03	7.59	-34.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020268170	1	51	-1.0	-42.22	407.08	7.62	-34.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)C=C1	REAL300020268171	0	42	-1.0	-39.00	372.63	8.42	-30.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)C=C1	REAL300020268171	1	42	-1.0	-38.97	372.69	8.43	-30.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)C=C1	REAL300020268172	0	39	-1.0	-40.67	351.03	7.66	-33.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)C=C1	REAL300020268172	1	39	-1.0	-40.70	351.09	7.69	-33.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020268173	0	42	-1.0	-39.08	368.07	8.31	-30.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020268173	1	42	-1.0	-39.10	368.13	8.33	-30.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020268174	0	39	-1.0	-40.76	346.52	7.58	-33.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020268174	1	39	-1.0	-40.77	346.47	7.56	-33.21
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020268175	0	46	-1.0	-41.86	389.10	10.37	-31.49
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020268175	1	46	-1.0	-41.83	389.13	10.36	-31.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020268176	0	50	-1.0	-42.36	400.25	8.43	-33.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020268176	1	50	-1.0	-42.37	400.30	8.44	-33.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020268177	0	47	-1.0	-45.65	382.20	7.79	-37.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020268177	1	47	-1.0	-45.64	382.26	7.82	-37.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020268178	0	56	0.0	-70.15	435.61	10.72	-59.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020268178	1	56	0.0	-70.16	435.67	10.73	-59.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020268179	0	53	0.0	-67.75	414.11	9.96	-57.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020268179	1	53	0.0	-67.81	414.16	9.98	-57.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020268180	0	48	0.0	-63.32	356.44	7.21	-56.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020268180	1	48	0.0	-63.11	364.50	7.26	-55.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)C(C)C1	REAL300020268180	1	47	-1.0	-40.02	358.44	4.89	-35.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)C(C)C1	REAL300020268180	1	47	-1.0	-40.02	358.50	4.90	-35.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020268181	0	45	0.0	-61.09	343.40	6.49	-54.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020268181	1	45	0.0	-60.94	347.96	6.37	-54.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020268181	1	45	0.0	-61.11	343.46	6.52	-54.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020268181	1	45	0.0	-61.00	348.02	6.39	-54.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)C(C)C1	REAL300020268181	1	44	-1.0	-42.69	342.01	4.28	-38.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)C(C)C1	REAL300020268181	1	44	-1.0	-42.66	342.07	4.30	-38.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020268182	0	52	0.0	-70.07	386.68	9.16	-60.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020268182	1	52	0.0	-74.26	377.29	8.76	-65.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC)C(C)C1	REAL300020268182	1	51	-1.0	-41.39	395.10	6.82	-34.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020268183	0	50	-1.0	-49.77	392.21	6.86	-42.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020268183	1	50	-1.0	-49.76	392.27	6.87	-42.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020268184	0	47	-1.0	-52.46	374.43	6.19	-46.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020268184	1	47	-1.0	-52.44	374.49	6.21	-46.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(O)C2=CC=C(F)C=C2)CC1	REAL300020268185	0	50	-1.0	-45.50	397.49	6.78	-38.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(O)C2=CC=C(F)C=C2)CC1	REAL300020268185	1	50	-1.0	-45.50	397.55	6.79	-38.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020268186	0	46	-1.0	-40.82	366.34	5.94	-34.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020268186	1	46	-1.0	-40.80	366.40	5.95	-34.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020268187	0	43	-1.0	-43.75	344.79	5.17	-38.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020268187	1	43	-1.0	-43.73	344.85	5.20	-38.53
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCOCC1	REAL300020268188	0	50	-1.0	-44.39	384.21	8.07	-36.32
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCOCC1	REAL300020268188	1	50	-1.0	-44.30	384.26	8.06	-36.24
C=C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020268189	0	44	-1.0	-41.89	352.35	8.75	-33.14
C=C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020268189	1	44	-1.0	-41.86	352.38	8.74	-33.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)N(C(=O)OC(C)(C)C)C(C)C1	REAL300020268190	0	56	-1.0	-43.86	421.84	7.25	-36.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)N(C(=O)OC(C)(C)C)C(C)C1	REAL300020268190	1	56	-1.0	-43.86	421.89	7.27	-36.59
CCN(C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1)S(C)(=O)=O	REAL300020268191	0	53	-1.0	-49.43	419.45	4.74	-44.69
CCN(C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1)S(C)(=O)=O	REAL300020268191	1	53	-1.0	-49.43	419.50	4.75	-44.68
CCN(C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1)S(C)(=O)=O	REAL300020268192	0	50	-1.0	-50.49	397.95	3.95	-46.54
CCN(C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1)S(C)(=O)=O	REAL300020268192	1	50	-1.0	-50.50	398.00	3.98	-46.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)S(=O)(=O)CC)CC1	REAL300020268193	0	53	-1.0	-47.56	426.44	4.85	-42.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)S(=O)(=O)CC)CC1	REAL300020268193	1	53	-1.0	-47.54	426.50	4.86	-42.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)S(=O)(=O)CC)CC1	REAL300020268194	0	50	-1.0	-49.22	404.65	4.24	-44.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)S(=O)(=O)CC)CC1	REAL300020268194	1	50	-1.0	-49.21	404.70	4.26	-44.95
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020268195	0	48	-1.0	-41.22	380.06	9.18	-32.04
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020268195	1	48	-1.0	-41.20	380.11	9.17	-32.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020268196	0	43	-1.0	-43.70	353.88	7.08	-36.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020268196	1	43	-1.0	-43.71	353.94	7.10	-36.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020268197	0	40	-1.0	-45.36	335.53	6.44	-38.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020268197	1	40	-1.0	-45.35	335.47	6.42	-38.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020268198	0	47	-1.0	-44.28	367.43	8.28	-36.00
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020268198	1	47	-1.0	-44.26	367.46	8.27	-35.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020268199	0	48	-1.0	-42.89	402.53	8.70	-34.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020268199	1	48	-1.0	-42.94	402.58	8.72	-34.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020268200	0	45	-1.0	-46.28	380.74	8.10	-38.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020268200	1	45	-1.0	-46.31	380.80	8.12	-38.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	REAL300020268201	0	56	-1.0	-42.23	433.06	7.46	-34.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	REAL300020268201	1	56	-1.0	-42.26	433.12	7.48	-34.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	REAL300020268202	0	53	-1.0	-43.80	407.85	6.55	-37.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	REAL300020268202	1	53	-1.0	-43.76	407.91	6.56	-37.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	REAL300020268203	0	56	-1.0	-41.20	413.49	6.65	-34.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	REAL300020268203	1	56	-1.0	-41.21	413.55	6.67	-34.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	REAL300020268204	0	53	-1.0	-44.43	408.05	6.56	-37.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	REAL300020268204	1	53	-1.0	-44.42	408.11	6.59	-37.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020268205	0	49	-1.0	-40.61	405.65	10.21	-30.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020268205	1	49	-1.0	-40.58	405.71	10.22	-30.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020268206	0	46	-1.0	-42.25	388.63	9.35	-32.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020268206	1	46	-1.0	-42.27	388.69	9.37	-32.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C(C)C1	REAL300020268207	0	56	-1.0	-42.58	428.40	7.43	-35.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C(C)C1	REAL300020268207	1	56	-1.0	-42.58	428.46	7.44	-35.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C(C)C1	REAL300020268208	0	53	-1.0	-43.32	411.82	6.51	-36.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C(C)C1	REAL300020268208	1	53	-1.0	-43.31	411.87	6.53	-36.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020268209	0	46	-1.0	-42.72	375.29	8.96	-33.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020268209	1	46	-1.0	-42.80	375.35	8.97	-33.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020268210	0	43	-1.0	-45.38	350.01	8.08	-37.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020268210	1	43	-1.0	-45.39	350.07	8.10	-37.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3SC=CC3=NC=N2)CC1	REAL300020268211	0	46	-1.0	-44.22	389.15	6.57	-37.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3SC=CC3=NC=N2)CC1	REAL300020268211	1	46	-1.0	-44.18	389.09	6.55	-37.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020268212	0	46	-1.0	-40.64	375.52	8.85	-31.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020268212	1	46	-1.0	-40.66	375.57	8.86	-31.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020268213	0	43	-1.0	-44.37	351.48	8.24	-36.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020268213	1	43	-1.0	-44.41	351.54	8.26	-36.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C(F)=C2)CC1	REAL300020268214	0	49	-1.0	-47.45	401.07	9.97	-37.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C(F)=C2)CC1	REAL300020268214	1	49	-1.0	-47.46	401.13	9.99	-37.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020268215	0	53	-1.0	-41.80	418.41	8.99	-32.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020268215	1	53	-1.0	-41.80	418.47	9.00	-32.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020268216	0	50	-1.0	-43.63	401.39	8.13	-35.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020268216	1	50	-1.0	-43.65	401.44	8.15	-35.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020268217	0	51	-1.0	-39.74	380.70	8.24	-31.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020268217	1	51	-1.0	-39.74	380.76	8.26	-31.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020268218	0	48	-1.0	-41.96	358.30	7.56	-34.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020268218	1	48	-1.0	-41.95	358.36	7.58	-34.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020268219	0	55	-1.0	-42.60	400.92	10.22	-32.38
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020268219	1	55	-1.0	-42.54	400.96	10.21	-32.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020268220	0	55	-1.0	-41.28	432.19	10.93	-30.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020268220	1	55	-1.0	-41.28	432.24	10.95	-30.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020268221	0	52	-1.0	-44.28	410.34	10.32	-33.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020268221	1	52	-1.0	-44.27	410.40	10.34	-33.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020268222	0	48	-1.0	-40.98	387.43	7.77	-33.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020268222	1	48	-1.0	-40.96	387.48	7.78	-33.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020268223	0	45	-1.0	-42.40	379.77	6.95	-35.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020268223	1	45	-1.0	-42.37	379.83	6.98	-35.39
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1	REAL300020268224	0	43	-1.0	-43.03	334.99	7.93	-35.10
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1	REAL300020268224	1	43	-1.0	-43.05	335.02	7.92	-35.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020268225	0	46	-1.0	-41.10	343.52	7.42	-33.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020268225	1	46	-1.0	-41.11	343.58	7.43	-33.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020268226	0	43	-1.0	-44.33	326.77	6.77	-37.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020268226	1	43	-1.0	-44.36	326.83	6.79	-37.57
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020268227	0	50	-1.0	-43.01	375.98	9.53	-33.48
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020268227	1	50	-1.0	-42.95	376.00	9.52	-33.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020268228	0	58	0.0	-68.23	450.96	10.76	-57.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020268228	1	58	0.0	-63.69	452.64	10.94	-52.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020268228	1	58	0.0	-68.23	451.02	10.77	-57.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020268228	1	58	0.0	-63.74	452.70	10.96	-52.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020268229	0	55	0.0	-64.89	431.98	10.02	-54.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020268229	1	55	0.0	-65.81	427.25	9.69	-56.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020268229	1	55	0.0	-64.83	432.04	10.04	-54.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020268229	1	55	0.0	-65.81	427.31	9.69	-56.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020268230	0	46	-1.0	-39.70	369.60	5.90	-33.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020268230	1	46	-1.0	-39.74	369.65	5.92	-33.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020268231	0	43	-1.0	-41.92	348.40	5.07	-36.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020268231	1	43	-1.0	-41.89	348.46	5.09	-36.80
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020268232	0	50	-1.0	-41.63	396.94	7.85	-33.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020268232	1	50	-1.0	-41.58	396.99	7.83	-33.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)S2)C1	REAL300020268233	0	44	-1.0	-41.82	391.26	7.13	-34.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)S2)C1	REAL300020268233	1	44	-1.0	-41.80	391.32	7.14	-34.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)S2)C1	REAL300020268234	0	41	-1.0	-43.32	358.56	5.98	-37.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)S2)C1	REAL300020268234	1	41	-1.0	-43.33	358.62	6.01	-37.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(S(C)(=O)=O)C=C1	REAL300020268235	0	48	-1.0	-47.33	412.11	5.34	-41.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(S(C)(=O)=O)C=C1	REAL300020268235	1	48	-1.0	-47.30	412.16	5.36	-41.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(S(C)(=O)=O)C=C1	REAL300020268236	0	45	-1.0	-48.73	390.44	4.56	-44.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(S(C)(=O)=O)C=C1	REAL300020268236	1	45	-1.0	-48.67	390.50	4.58	-44.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020268237	0	54	-1.0	-40.58	425.81	8.74	-31.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020268237	1	54	-1.0	-40.61	425.87	8.75	-31.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020268238	0	51	-1.0	-43.52	404.69	7.93	-35.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020268238	1	51	-1.0	-43.48	404.76	7.95	-35.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020268239	0	49	-1.0	-44.84	383.21	6.40	-38.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020268239	1	49	-1.0	-44.83	383.27	6.41	-38.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020268240	0	46	-1.0	-48.61	354.93	5.86	-42.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020268240	1	46	-1.0	-48.66	354.98	5.88	-42.78
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020268241	0	53	-1.0	-46.25	411.49	8.41	-37.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020268241	1	53	-1.0	-46.24	411.53	8.40	-37.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020268242	0	51	-1.0	-42.48	408.26	8.74	-33.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020268242	1	51	-1.0	-42.49	408.32	8.76	-33.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020268243	0	48	-1.0	-44.66	382.77	8.01	-36.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020268243	1	48	-1.0	-44.68	382.83	8.03	-36.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020268244	0	42	-1.0	-53.28	356.70	2.91	-50.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020268244	1	42	-1.0	-53.27	356.76	2.92	-50.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020268245	0	39	-1.0	-54.94	335.20	2.14	-52.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020268245	1	39	-1.0	-54.95	335.26	2.17	-52.78
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020268246	0	46	-1.0	-54.00	369.83	4.17	-49.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020268246	1	46	-1.0	-54.04	369.87	4.14	-49.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020268247	0	43	-1.0	-42.34	354.15	6.95	-35.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020268247	1	43	-1.0	-42.37	354.21	6.96	-35.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020268248	0	40	-1.0	-44.74	328.72	6.23	-38.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020268248	1	40	-1.0	-44.70	328.67	6.21	-38.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020268249	0	47	-1.0	-46.22	376.40	9.10	-37.12
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020268249	1	47	-1.0	-46.23	376.45	9.09	-37.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020268250	0	44	-1.0	-40.40	350.02	5.79	-34.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020268250	1	44	-1.0	-40.36	350.08	5.81	-34.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020268251	0	41	-1.0	-42.14	331.62	4.85	-37.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020268251	1	41	-1.0	-42.13	331.68	4.87	-37.26
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020268252	0	48	-1.0	-42.53	377.79	7.78	-34.75
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020268252	1	48	-1.0	-42.53	377.82	7.77	-34.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020268253	0	46	-1.0	-41.56	385.06	6.78	-34.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020268253	1	46	-1.0	-41.57	385.01	6.76	-34.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020268254	0	43	-1.0	-44.23	360.02	6.11	-38.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020268254	1	43	-1.0	-44.19	359.96	6.09	-38.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CC)C1	REAL300020268255	0	46	-1.0	-40.24	360.95	5.99	-34.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CC)C1	REAL300020268255	1	46	-1.0	-40.24	361.01	6.01	-34.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CC)C1	REAL300020268256	0	43	-1.0	-42.31	339.45	5.21	-37.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CC)C1	REAL300020268256	1	43	-1.0	-42.27	339.50	5.23	-37.04
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(CC)C1	REAL300020268257	0	50	-1.0	-42.22	387.97	7.99	-34.23
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(CC)C1	REAL300020268257	1	50	-1.0	-42.21	388.01	7.98	-34.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020268258	0	45	-1.0	-49.93	371.17	3.61	-46.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020268258	1	45	-1.0	-49.90	371.23	3.62	-46.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020268259	0	42	-1.0	-53.78	349.48	2.99	-50.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020268259	1	42	-1.0	-53.76	349.54	3.01	-50.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020268260	0	50	-1.0	-41.56	384.05	4.84	-36.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020268260	1	50	-1.0	-41.56	384.11	4.86	-36.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020268261	0	47	-1.0	-43.15	367.58	4.21	-38.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020268261	1	47	-1.0	-43.14	367.63	4.23	-38.91
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020268262	0	54	-1.0	-43.71	416.28	6.93	-36.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020268262	1	54	-1.0	-43.68	416.31	6.92	-36.76
CCC1=NSC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CC2)=N1	REAL300020268263	0	49	-1.0	-42.00	412.04	6.00	-36.00
CCC1=NSC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2)=N1	REAL300020268263	1	49	-1.0	-41.99	412.09	6.01	-35.98
CCC1=NSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)=N1	REAL300020268264	0	46	-1.0	-43.55	390.53	5.21	-38.34
CCC1=NSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)=N1	REAL300020268264	1	46	-1.0	-43.57	390.59	5.24	-38.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020268265	0	44	-1.0	-53.16	373.23	3.18	-49.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020268265	1	44	-1.0	-53.17	373.29	3.19	-49.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020268266	0	41	-1.0	-53.98	355.93	2.50	-51.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020268266	1	41	-1.0	-54.01	355.99	2.52	-51.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020268267	0	48	-1.0	-54.76	405.67	5.28	-49.48
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020268267	1	48	-1.0	-54.69	405.72	5.27	-49.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020268268	0	44	-1.0	-42.99	353.70	5.41	-37.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020268268	1	44	-1.0	-42.99	353.75	5.43	-37.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020268269	0	41	-1.0	-45.60	326.35	4.81	-40.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020268269	1	41	-1.0	-45.58	326.41	4.83	-40.75
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020268270	0	48	-1.0	-44.67	382.09	7.43	-37.24
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020268270	1	48	-1.0	-44.64	382.14	7.42	-37.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020268271	0	44	-1.0	-41.52	378.77	6.62	-34.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020268271	1	44	-1.0	-41.56	378.83	6.63	-34.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020268272	0	41	-1.0	-44.58	348.76	5.63	-38.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020268272	1	41	-1.0	-44.57	348.83	5.66	-38.91
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020268273	0	48	-1.0	-43.59	404.24	8.61	-34.98
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020268273	1	48	-1.0	-43.64	404.27	8.61	-35.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020268274	0	42	-1.0	-46.21	328.91	3.91	-42.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020268274	1	42	-1.0	-46.22	328.97	3.93	-42.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020268275	0	39	-1.0	-45.78	312.35	3.28	-42.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020268275	1	39	-1.0	-45.79	312.41	3.31	-42.48
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020268276	0	46	-1.0	-49.60	363.92	6.63	-42.97
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020268276	1	46	-1.0	-49.63	363.97	6.63	-43.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020268277	0	42	-1.0	-40.68	352.40	7.10	-33.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020268277	1	42	-1.0	-40.67	352.45	7.12	-33.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020268278	0	39	-1.0	-43.36	330.90	6.32	-37.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020268278	1	39	-1.0	-43.39	330.96	6.34	-37.05
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020268279	0	46	-1.0	-42.66	376.75	8.98	-33.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020268279	1	46	-1.0	-42.66	376.77	8.97	-33.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020268280	0	46	-1.0	-40.45	384.29	7.93	-32.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020268280	1	46	-1.0	-40.45	384.35	7.95	-32.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020268281	0	43	-1.0	-42.40	362.66	7.21	-35.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020268281	1	43	-1.0	-42.39	362.60	7.18	-35.21
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020268282	0	50	-1.0	-42.75	406.97	9.91	-32.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020268282	1	50	-1.0	-42.71	407.02	9.91	-32.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCOC)CC1	REAL300020268283	0	53	-1.0	-45.44	424.74	4.33	-41.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCOC)CC1	REAL300020268283	1	53	-1.0	-45.42	424.80	4.35	-41.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCOC)CC1	REAL300020268284	0	50	-1.0	-49.15	402.94	3.72	-45.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCOC)CC1	REAL300020268284	1	50	-1.0	-49.12	403.00	3.74	-45.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020268285	0	53	-1.0	-43.03	408.14	5.08	-37.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020268285	1	53	-1.0	-43.05	408.19	5.10	-37.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020268286	0	50	-1.0	-46.55	388.66	4.68	-41.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020268286	1	50	-1.0	-46.57	388.72	4.70	-41.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=C(F)C=C2)CC1	REAL300020268287	0	50	-1.0	-48.16	412.06	7.16	-41.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=C(F)C=C2)CC1	REAL300020268287	1	50	-1.0	-48.15	412.12	7.19	-40.96
CCC(C)NC(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020268288	0	57	-1.0	-47.58	451.09	4.81	-42.77
CCC(C)NC(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020268288	1	57	-1.0	-47.59	451.15	4.83	-42.76
CCC(C)NC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020268289	0	54	-1.0	-51.43	429.46	4.02	-47.41
CCC(C)NC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020268289	1	54	-1.0	-51.46	429.51	4.05	-47.41
CCNC(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020268290	0	51	-1.0	-47.83	409.84	3.04	-44.79
CCNC(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020268290	1	51	-1.0	-47.85	409.90	3.05	-44.80
CCNC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020268291	0	48	-1.0	-51.62	388.21	2.25	-49.37
CCNC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020268291	1	48	-1.0	-51.61	388.26	2.27	-49.34
CCCCCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020268292	0	58	-1.0	-44.68	455.64	7.57	-37.11
CCCCCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020268292	1	58	-1.0	-44.68	455.70	7.58	-37.10
CCCCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020268293	0	55	-1.0	-48.39	433.83	6.95	-41.44
CCCCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020268293	1	55	-1.0	-48.41	433.89	6.98	-41.43
CCOCCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020268294	0	56	-1.0	-48.94	446.36	5.43	-43.51
CCOCCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020268294	1	56	-1.0	-48.99	446.42	5.45	-43.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020268295	0	46	-1.0	-43.35	372.25	4.37	-38.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020268295	1	46	-1.0	-43.32	372.31	4.39	-38.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020268296	0	43	-1.0	-45.33	354.47	3.72	-41.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020268296	1	43	-1.0	-45.34	354.53	3.74	-41.60
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020268297	0	50	-1.0	-47.40	392.21	6.55	-40.85
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020268297	1	50	-1.0	-47.38	392.24	6.53	-40.85
CCOC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020268298	0	50	-1.0	-42.00	404.93	4.76	-37.24
CCOC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020268298	1	50	-1.0	-42.01	404.99	4.77	-37.24
CCOC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020268299	0	47	-1.0	-43.48	387.14	4.09	-39.39
CCOC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020268299	1	47	-1.0	-43.48	387.20	4.11	-39.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020268300	0	45	-1.0	-41.09	373.80	8.64	-32.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020268300	1	45	-1.0	-41.08	373.86	8.66	-32.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020268301	0	42	-1.0	-42.86	352.29	7.89	-34.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020268301	1	42	-1.0	-42.87	352.23	7.87	-35.00
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020268302	0	49	-1.0	-43.75	398.05	10.80	-32.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020268302	1	49	-1.0	-43.70	398.10	10.79	-32.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020268303	0	55	0.0	-65.36	399.09	8.98	-56.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020268303	1	55	0.0	-65.34	399.04	8.96	-56.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020268304	0	52	0.0	-61.88	376.50	8.52	-53.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020268304	1	52	0.0	-61.88	376.55	8.52	-53.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020268305	0	54	-1.0	-40.67	422.93	8.27	-32.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020268305	1	54	-1.0	-40.60	422.99	8.29	-32.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020268306	0	51	-1.0	-42.81	401.48	7.49	-35.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020268306	1	51	-1.0	-42.85	401.53	7.51	-35.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020268307	0	49	-1.0	-46.35	402.78	7.43	-38.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020268307	1	49	-1.0	-46.36	402.83	7.44	-38.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020268308	0	46	-1.0	-49.38	383.45	7.25	-42.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020268308	1	46	-1.0	-49.42	383.51	7.27	-42.15
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020268309	0	52	0.0	-65.17	383.00	8.48	-56.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020268309	1	52	0.0	-65.13	383.06	8.50	-56.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020268310	0	49	0.0	-61.78	360.46	8.04	-53.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020268310	1	49	0.0	-61.77	360.52	8.04	-53.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020268311	0	56	0.0	-70.29	420.29	10.70	-59.59
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020268311	1	56	0.0	-70.34	420.25	10.71	-59.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020268312	0	58	0.0	-67.10	429.42	9.90	-57.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020268312	1	58	0.0	-67.08	429.47	9.92	-57.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020268313	0	55	0.0	-65.34	398.55	9.44	-55.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020268313	1	55	0.0	-65.32	398.61	9.44	-55.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020268314	0	48	0.0	-62.81	365.97	7.07	-55.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)CC1	REAL300020268314	1	47	-1.0	-40.30	351.84	4.70	-35.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020268314	1	47	-1.0	-40.31	351.90	4.71	-35.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020268315	0	45	0.0	-61.71	344.15	6.45	-55.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020268315	1	45	0.0	-61.69	344.09	6.44	-55.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)CC1	REAL300020268315	1	44	-1.0	-42.00	342.47	3.97	-38.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020268315	1	44	-1.0	-42.00	342.53	3.99	-38.01
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020268316	0	52	0.0	-67.95	392.69	8.92	-59.03
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)C)CC1	REAL300020268316	1	51	-1.0	-41.26	392.33	6.75	-34.51
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC	REAL300020268317	0	43	-1.0	-42.12	353.97	5.94	-36.18
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC	REAL300020268317	1	43	-1.0	-42.10	354.02	5.93	-36.17
CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020268318	0	45	-1.0	-40.69	349.36	6.37	-34.32
CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020268318	1	45	-1.0	-40.71	349.42	6.38	-34.33
CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020268319	0	49	-1.0	-42.32	379.45	8.42	-33.90
CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020268319	1	49	-1.0	-42.36	379.50	8.41	-33.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020268320	0	41	-1.0	-41.54	347.04	6.25	-35.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020268320	1	41	-1.0	-41.58	347.09	6.27	-35.31
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020268321	0	45	-1.0	-43.43	369.61	8.45	-34.98
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020268321	1	45	-1.0	-43.42	369.66	8.44	-34.98
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCC1	REAL300020268322	0	46	-1.0	-41.84	354.54	8.48	-33.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCC1	REAL300020268322	1	46	-1.0	-41.84	354.58	8.47	-33.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020268323	0	45	-1.0	-42.36	358.24	8.50	-33.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020268323	1	45	-1.0	-42.36	358.29	8.52	-33.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020268324	0	42	-1.0	-42.77	347.99	7.22	-35.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020268324	1	42	-1.0	-42.74	347.92	7.20	-35.54
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020268325	0	49	-1.0	-41.87	383.80	10.84	-31.03
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020268325	1	49	-1.0	-41.83	383.85	10.82	-31.01
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC=C1	REAL300020268326	0	43	-1.0	-43.96	356.42	10.20	-33.76
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC=C1	REAL300020268326	1	43	-1.0	-43.93	356.46	10.19	-33.74
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOCC1	REAL300020268327	0	44	-1.0	-41.97	349.70	6.44	-35.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOCC1	REAL300020268327	1	44	-1.0	-41.96	349.75	6.43	-35.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020268328	0	40	-1.0	-44.40	336.37	7.70	-36.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020268328	1	40	-1.0	-44.39	336.31	7.68	-36.71
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020268329	0	37	-1.0	-47.13	315.40	6.89	-40.24
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020268329	1	37	-1.0	-47.09	315.35	6.86	-40.23
CCN1C(NC2=CC=C(OC)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020268330	0	44	-1.0	-45.49	365.01	9.66	-35.83
CCN1C(NC2=CC=C(OC)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020268330	1	44	-1.0	-45.52	364.91	9.67	-35.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020268331	0	40	-1.0	-41.19	321.35	6.25	-34.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020268331	1	40	-1.0	-41.18	321.41	6.26	-34.92
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCSC1	REAL300020268332	0	44	-1.0	-43.14	353.62	8.37	-34.77
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCSC1	REAL300020268332	1	44	-1.0	-43.13	353.64	8.37	-34.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020268333	0	48	-1.0	-41.87	392.21	7.05	-34.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020268333	1	48	-1.0	-41.88	392.27	7.06	-34.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020268334	0	45	-1.0	-43.98	371.02	6.38	-37.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020268334	1	45	-1.0	-44.03	371.08	6.40	-37.63
CCNC(=O)N[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C[C@H]1OC	REAL300020268335	0	52	-1.0	-50.64	414.48	2.28	-48.36
CCNC(=O)N[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C[C@H]1OC	REAL300020268335	1	52	-1.0	-50.65	414.54	2.30	-48.35
CCNC(=O)N[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C[C@H]1OC	REAL300020268336	0	49	-1.0	-47.88	403.93	1.63	-46.25
CCNC(=O)N[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C[C@H]1OC	REAL300020268336	1	49	-1.0	-47.92	404.00	1.65	-46.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020268337	0	63	0.0	-59.12	428.05	9.53	-49.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020268337	1	63	0.0	-59.14	428.11	9.55	-49.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020268338	0	60	0.0	-57.12	408.01	9.02	-48.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020268338	1	60	0.0	-57.16	408.07	9.04	-48.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC(F)=CC(F)=C2)CC1	REAL300020268339	0	49	-1.0	-46.28	401.13	9.98	-36.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC(F)=CC(F)=C2)CC1	REAL300020268339	1	49	-1.0	-46.28	401.19	10.00	-36.28
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020268340	0	51	0.0	-63.80	371.63	7.72	-56.08
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020268340	1	51	0.0	-63.79	371.69	7.73	-56.06
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020268341	0	48	0.0	-60.89	358.45	7.03	-53.86
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020268341	1	48	0.0	-60.89	358.51	7.04	-53.85
CCC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020268342	0	55	0.0	-69.79	401.97	9.77	-60.02
CCC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020268342	1	55	0.0	-69.75	402.01	9.76	-59.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020268343	0	50	-1.0	-42.86	386.50	7.05	-35.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020268343	1	50	-1.0	-42.81	386.56	7.07	-35.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020268344	0	47	-1.0	-41.86	370.55	6.19	-35.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020268344	1	47	-1.0	-41.84	370.60	6.21	-35.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020268345	0	54	-1.0	-45.29	415.69	9.13	-36.16
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020268345	1	54	-1.0	-45.26	415.73	9.11	-36.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020268346	0	59	0.0	-72.29	441.07	8.38	-63.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020268346	1	58	-1.0	-41.69	439.40	5.99	-35.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020268346	1	58	-1.0	-41.69	439.46	6.00	-35.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020268347	0	56	0.0	-71.78	419.57	7.60	-64.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020268347	1	55	-1.0	-44.58	417.51	5.38	-39.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020268347	1	55	-1.0	-44.58	417.56	5.39	-39.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268348	0	58	0.0	-70.41	426.03	11.05	-59.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268348	1	58	0.0	-69.21	443.56	10.71	-58.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268348	1	58	0.0	-70.37	425.98	11.03	-59.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268348	1	58	0.0	-69.26	443.50	10.69	-58.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268349	0	55	0.0	-67.18	422.44	10.21	-56.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268349	1	55	0.0	-72.16	407.10	9.67	-62.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268349	1	55	0.0	-67.17	422.50	10.24	-56.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1	REAL300020268349	1	55	0.0	-72.22	407.15	9.70	-62.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020268350	0	49	-1.0	-51.97	379.59	4.04	-47.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020268350	1	49	-1.0	-51.96	379.64	4.05	-47.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020268351	0	46	-1.0	-51.16	359.15	3.66	-47.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020268351	1	46	-1.0	-51.16	359.21	3.69	-47.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020268352	0	49	-1.0	-39.74	378.08	9.97	-29.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020268352	1	49	-1.0	-39.78	378.14	9.98	-29.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020268353	0	46	-1.0	-42.81	353.77	8.93	-33.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020268353	1	46	-1.0	-42.79	353.72	8.92	-33.87
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020268354	0	48	-1.0	-40.03	350.30	7.90	-32.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020268354	1	48	-1.0	-39.98	350.36	7.91	-32.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020268355	0	45	-1.0	-42.62	331.32	7.56	-35.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020268355	1	45	-1.0	-42.65	331.37	7.58	-35.07
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020268356	0	52	-1.0	-41.63	382.38	10.01	-31.62
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020268356	1	52	-1.0	-41.58	382.43	9.99	-31.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020268357	0	47	-1.0	-43.16	382.16	7.61	-35.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020268357	1	47	-1.0	-43.18	382.21	7.62	-35.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020268358	0	44	-1.0	-47.44	349.85	5.83	-41.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020268358	1	44	-1.0	-47.40	349.80	5.81	-41.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020268359	0	50	-1.0	-41.15	395.07	8.14	-33.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020268359	1	50	-1.0	-41.04	395.13	8.16	-32.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020268360	0	47	-1.0	-44.69	361.73	8.42	-36.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020268360	1	47	-1.0	-44.72	361.79	8.44	-36.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020268361	0	44	-1.0	-40.45	333.92	5.07	-35.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020268361	1	44	-1.0	-40.46	333.98	5.09	-35.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020268362	0	41	-1.0	-42.53	311.37	4.59	-37.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020268362	1	41	-1.0	-42.57	311.43	4.61	-37.96
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020268363	0	48	-1.0	-43.95	369.39	7.86	-36.09
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020268363	1	48	-1.0	-43.97	369.43	7.85	-36.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020268364	0	55	0.0	-67.64	395.00	8.66	-58.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020268364	1	55	0.0	-66.50	406.16	9.48	-57.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020268364	1	55	0.0	-67.68	395.06	8.68	-59.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020268364	1	55	0.0	-66.54	406.22	9.49	-57.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020268365	0	52	0.0	-68.20	378.03	8.06	-60.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020268365	1	52	0.0	-64.84	387.87	8.67	-56.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020268365	1	52	0.0	-68.22	378.09	8.08	-60.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020268365	1	52	0.0	-64.86	387.93	8.68	-56.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020268366	0	50	-1.0	-40.08	384.31	6.89	-33.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020268366	1	50	-1.0	-40.11	384.37	6.91	-33.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020268367	0	47	-1.0	-41.70	360.16	6.39	-35.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020268367	1	47	-1.0	-41.71	360.21	6.40	-35.31
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020268368	0	54	-1.0	-41.18	416.97	8.83	-32.35
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020268368	1	54	-1.0	-41.13	417.03	8.81	-32.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020268369	0	47	-1.0	-40.66	383.58	7.72	-32.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020268369	1	47	-1.0	-40.71	383.64	7.74	-32.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020268370	0	44	-1.0	-43.42	362.05	6.97	-36.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020268370	1	44	-1.0	-43.46	362.00	6.94	-36.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020268371	0	51	-1.0	-40.74	408.43	7.14	-33.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020268371	1	52	0.0	-68.69	408.12	9.47	-59.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020268371	1	51	-1.0	-40.81	408.49	7.16	-33.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020268372	0	48	-1.0	-42.78	386.96	6.36	-36.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020268372	1	49	0.0	-66.56	386.39	8.85	-57.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020268372	1	48	-1.0	-42.78	387.02	6.38	-36.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020268373	0	47	-1.0	-40.35	344.17	5.88	-34.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020268373	1	47	-1.0	-40.34	344.22	5.89	-34.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020268374	0	44	-1.0	-44.10	334.30	6.00	-38.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020268374	1	44	-1.0	-44.08	334.36	6.01	-38.07
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020268375	0	51	-1.0	-42.29	391.19	8.84	-33.45
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020268375	1	51	-1.0	-42.30	391.23	8.84	-33.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020268376	0	51	0.0	-63.49	382.39	8.04	-55.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020268376	1	51	0.0	-62.36	380.96	7.90	-54.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020268376	1	51	0.0	-63.51	382.45	8.06	-55.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020268376	1	51	0.0	-62.36	381.01	7.91	-54.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020268377	0	48	0.0	-60.92	350.85	7.29	-53.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020268377	1	48	0.0	-60.99	355.55	7.17	-53.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020268377	1	48	0.0	-60.93	350.91	7.30	-53.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020268377	1	48	0.0	-61.03	355.61	7.19	-53.84
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020268378	0	55	0.0	-68.47	410.36	10.01	-58.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020268378	1	55	0.0	-67.15	394.02	9.44	-57.71
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020268378	1	55	0.0	-68.42	410.41	9.99	-58.43
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020268378	1	55	0.0	-67.17	394.05	9.43	-57.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020268379	0	54	0.0	-62.48	391.41	8.15	-54.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020268379	1	54	0.0	-60.89	376.12	7.60	-53.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020268379	1	54	0.0	-62.47	391.47	8.16	-54.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020268379	1	54	0.0	-60.90	376.18	7.62	-53.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020268380	0	51	0.0	-61.50	355.70	7.79	-53.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020268380	1	51	0.0	-61.38	359.55	6.96	-54.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020268380	1	51	0.0	-61.54	355.76	7.82	-53.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020268380	1	51	0.0	-61.35	359.61	6.98	-54.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020268381	0	58	0.0	-70.32	409.81	9.69	-60.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020268381	1	58	0.0	-64.78	413.95	9.78	-55.00
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020268381	1	58	0.0	-70.32	409.82	9.69	-60.63
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020268381	1	58	0.0	-64.76	413.98	9.77	-54.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020268382	0	56	0.0	-66.56	409.05	7.25	-59.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020268382	1	56	0.0	-69.02	395.87	6.39	-62.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020268382	1	56	0.0	-66.53	409.11	7.27	-59.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020268382	1	56	0.0	-69.00	395.93	6.40	-62.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020268383	0	53	0.0	-66.72	374.63	7.05	-59.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020268383	1	53	0.0	-60.94	373.25	6.27	-54.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020268383	1	53	0.0	-66.76	374.69	7.07	-59.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020268383	1	53	0.0	-60.94	373.30	6.29	-54.65
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)OC	REAL300020268384	0	37	-1.0	-42.28	303.28	6.92	-35.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)OC	REAL300020268384	1	37	-1.0	-42.25	303.31	6.91	-35.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020268385	0	55	-1.0	-40.52	404.02	8.51	-32.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020268385	1	55	-1.0	-40.51	404.07	8.52	-31.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020268386	0	52	-1.0	-42.53	385.38	7.86	-34.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020268386	1	52	-1.0	-42.55	385.38	7.88	-34.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C)C1	REAL300020268387	0	43	-1.0	-41.28	335.50	5.28	-36.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C)C1	REAL300020268387	1	43	-1.0	-41.30	335.55	5.30	-36.00
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOC(C)C1	REAL300020268388	0	47	-1.0	-41.70	369.12	7.21	-34.49
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOC(C)C1	REAL300020268388	1	47	-1.0	-41.68	369.12	7.19	-34.49
CCC1C(=O)NCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020268389	0	43	-1.0	-44.39	340.51	3.23	-41.16
CCC1C(=O)NCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020268389	1	43	-1.0	-44.42	340.56	3.25	-41.17
CCC1C(=O)NCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020268390	0	40	-1.0	-48.07	317.72	2.65	-45.42
CCC1C(=O)NCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020268390	1	40	-1.0	-48.07	317.66	2.61	-45.46
CCC1C(=O)NCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020268391	0	47	-1.0	-46.59	372.56	5.36	-41.23
CCC1C(=O)NCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020268391	1	47	-1.0	-46.61	372.59	5.33	-41.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020268392	0	43	-1.0	-50.37	342.75	3.29	-47.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020268392	1	43	-1.0	-50.41	342.80	3.30	-47.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020268393	0	40	-1.0	-57.40	326.24	2.66	-54.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020268393	1	40	-1.0	-57.38	326.18	2.64	-54.74
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020268394	0	47	-1.0	-52.08	375.49	5.42	-46.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020268394	1	47	-1.0	-52.09	375.52	5.41	-46.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020268395	0	53	-1.0	-42.21	404.20	10.54	-31.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020268395	1	53	-1.0	-42.15	404.26	10.55	-31.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020268396	0	50	-1.0	-43.99	372.86	9.27	-34.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020268396	1	50	-1.0	-43.97	372.91	9.30	-34.67
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(OC)C1	REAL300020268397	0	44	-1.0	-43.47	356.27	5.72	-37.75
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(OC)C1	REAL300020268397	1	44	-1.0	-43.40	356.32	5.71	-37.69
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020268398	0	46	-1.0	-42.03	354.91	7.68	-34.35
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020268398	1	46	-1.0	-42.03	354.94	7.67	-34.36
CCC1CC(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020268399	0	45	-1.0	-41.30	344.59	6.72	-34.58
CCC1CC(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020268399	1	45	-1.0	-41.35	344.65	6.73	-34.62
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020268400	0	49	-1.0	-43.13	372.21	8.69	-34.44
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020268400	1	49	-1.0	-43.10	372.25	8.68	-34.42
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020268401	0	44	-1.0	-42.74	340.57	5.97	-36.77
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020268401	1	44	-1.0	-42.67	340.60	5.96	-36.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC(C)C	REAL300020268402	0	51	-1.0	-41.12	366.44	8.70	-32.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC(C)C	REAL300020268402	1	51	-1.0	-41.08	366.50	8.72	-32.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC(C)C	REAL300020268403	0	48	-1.0	-45.77	344.12	8.15	-37.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC(C)C	REAL300020268403	1	48	-1.0	-45.79	344.17	8.17	-37.62
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1CC(C)C	REAL300020268404	0	55	-1.0	-43.30	391.41	10.35	-32.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1CC(C)C	REAL300020268404	1	55	-1.0	-43.28	391.44	10.35	-32.93
CCCC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020268405	0	51	-1.0	-40.70	387.45	7.44	-33.26
CCCC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020268405	1	51	-1.0	-40.73	387.51	7.45	-33.28
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020268406	0	48	-1.0	-43.09	365.47	6.82	-36.27
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020268406	1	48	-1.0	-43.08	365.53	6.83	-36.25
CCCC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020268407	0	55	-1.0	-42.66	416.74	10.87	-31.79
CCCC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020268407	1	55	-1.0	-42.60	416.64	10.82	-31.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020268408	0	40	-1.0	-46.81	332.07	7.52	-39.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020268408	1	40	-1.0	-46.82	332.01	7.50	-39.32
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020268409	0	37	-1.0	-48.39	314.81	6.93	-41.46
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020268409	1	37	-1.0	-48.43	314.77	6.90	-41.53
CCN1C(NC2=CC=CC(OC)=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020268410	0	44	-1.0	-48.68	365.07	9.61	-39.07
CCN1C(NC2=CC=CC(OC)=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020268410	1	44	-1.0	-48.65	365.02	9.62	-39.03
CCN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020268411	0	40	-1.0	-46.61	337.93	9.21	-37.40
CCN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020268411	1	40	-1.0	-46.60	337.86	9.22	-37.38
CCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020268412	0	40	-1.0	-49.83	338.11	8.23	-41.60
CCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020268412	1	40	-1.0	-49.88	338.07	8.24	-41.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020268413	0	45	-1.0	-41.85	341.48	6.65	-35.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020268413	1	45	-1.0	-41.85	341.53	6.67	-35.18
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C(C)C	REAL300020268414	0	49	-1.0	-41.55	364.89	7.82	-33.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C(C)C	REAL300020268414	1	49	-1.0	-41.57	364.93	7.81	-33.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020268415	0	49	-1.0	-47.14	394.17	7.79	-39.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020268415	1	49	-1.0	-47.15	394.22	7.80	-39.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020268416	0	46	-1.0	-48.19	375.44	8.08	-40.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020268416	1	46	-1.0	-48.23	375.50	8.11	-40.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@@H](C2=CC=CC=C2)C1	REAL300020268417	0	52	-1.0	-47.66	415.16	9.07	-38.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@@H](C2=CC=CC=C2)C1	REAL300020268417	1	52	-1.0	-47.67	415.21	9.10	-38.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@@H](C2=CC=CC=C2)C1	REAL300020268418	0	49	-1.0	-50.70	393.03	8.48	-42.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@@H](C2=CC=CC=C2)C1	REAL300020268418	1	49	-1.0	-50.69	393.09	8.49	-42.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2[N+](=O)[O-])CC1	REAL300020268419	0	49	-1.0	-48.37	409.44	8.18	-40.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2[N+](=O)[O-])CC1	REAL300020268419	1	49	-1.0	-48.33	409.38	8.16	-40.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2[N+](=O)[O-])CC1	REAL300020268420	0	46	-1.0	-50.89	388.00	7.41	-43.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2[N+](=O)[O-])CC1	REAL300020268420	1	46	-1.0	-50.85	387.94	7.39	-43.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020268421	0	56	-1.0	-39.10	426.85	8.84	-30.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020268421	1	56	-1.0	-39.13	426.91	8.85	-30.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020268422	0	53	-1.0	-41.12	411.35	8.04	-33.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020268422	1	53	-1.0	-41.14	411.41	8.06	-33.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020268423	0	54	-1.0	-44.42	415.39	8.46	-35.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020268423	1	54	-1.0	-44.44	415.45	8.48	-35.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020268424	0	51	-1.0	-48.67	394.09	7.68	-40.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020268424	1	51	-1.0	-48.70	394.15	7.71	-40.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300020268425	0	54	-1.0	-42.10	419.17	8.99	-33.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300020268425	1	54	-1.0	-42.09	419.23	9.00	-33.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300020268426	0	51	-1.0	-44.75	394.02	8.31	-36.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300020268426	1	51	-1.0	-44.74	394.08	8.34	-36.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020268427	0	45	-1.0	-43.18	362.60	2.17	-41.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020268427	1	45	-1.0	-43.18	362.66	2.18	-41.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020268428	0	42	-1.0	-43.73	344.82	1.50	-42.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020268428	1	42	-1.0	-43.74	344.88	1.53	-42.21
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020268429	0	49	-1.0	-46.16	390.81	4.44	-41.72
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020268429	1	49	-1.0	-46.19	390.85	4.43	-41.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=C(C)N(C)N=C1C	REAL300020268430	0	55	-1.0	-45.79	427.75	5.35	-40.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=C(C)N(C)N=C1C	REAL300020268430	1	55	-1.0	-45.80	427.81	5.36	-40.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=C(C)N(C)N=C1C	REAL300020268431	0	52	-1.0	-47.24	410.41	4.78	-42.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=C(C)N(C)N=C1C	REAL300020268431	1	52	-1.0	-47.24	410.46	4.79	-42.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020268432	0	48	-1.0	-41.60	362.39	4.23	-37.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020268432	1	48	-1.0	-41.57	362.44	4.24	-37.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020268433	0	45	-1.0	-43.19	359.55	3.61	-39.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020268433	1	45	-1.0	-43.19	359.61	3.64	-39.55
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020268434	0	52	-1.0	-43.04	401.21	5.73	-37.31
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020268434	1	52	-1.0	-43.01	401.25	5.71	-37.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020268435	0	51	-1.0	-43.53	411.96	7.51	-36.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020268435	1	51	-1.0	-43.54	411.90	7.50	-36.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020268436	0	48	-1.0	-46.17	390.73	6.69	-39.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020268436	1	48	-1.0	-46.16	390.67	6.67	-39.49
CCC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)=C1	REAL300020268437	0	45	-1.0	-41.74	364.14	9.48	-32.26
CCC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)=C1	REAL300020268437	1	45	-1.0	-41.77	364.19	9.50	-32.27
CCC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)=C1	REAL300020268438	0	42	-1.0	-47.02	350.14	8.94	-38.08
CCC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)=C1	REAL300020268438	1	42	-1.0	-46.97	350.08	8.91	-38.06
CCC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)=C1	REAL300020268439	0	49	-1.0	-43.63	396.57	11.57	-32.06
CCC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)=C1	REAL300020268439	1	49	-1.0	-43.59	396.61	11.56	-32.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020268440	0	46	-1.0	-40.70	347.45	7.64	-33.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020268440	1	46	-1.0	-40.70	347.51	7.65	-33.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020268441	0	43	-1.0	-42.46	320.42	6.95	-35.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020268441	1	43	-1.0	-42.47	320.47	6.98	-35.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020268442	0	50	-1.0	-43.07	374.51	9.46	-33.61
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020268442	1	50	-1.0	-43.00	374.54	9.46	-33.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(OC)C1	REAL300020268443	0	43	-1.0	-44.17	336.63	4.86	-39.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(OC)C1	REAL300020268443	1	43	-1.0	-44.13	336.68	4.88	-39.25
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(OC)C1	REAL300020268444	0	47	-1.0	-45.80	364.98	6.82	-38.98
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(OC)C1	REAL300020268444	1	47	-1.0	-45.81	365.01	6.81	-39.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020268445	0	40	-1.0	-41.36	331.66	7.38	-33.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020268445	1	40	-1.0	-41.39	331.72	7.40	-33.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020268446	0	37	-1.0	-43.80	316.05	6.57	-37.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020268446	1	37	-1.0	-43.77	315.99	6.55	-37.22
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020268447	0	44	-1.0	-43.04	364.78	9.49	-33.55
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020268447	1	44	-1.0	-42.98	364.80	9.48	-33.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020268448	0	40	-1.0	-42.53	327.86	6.91	-35.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020268448	1	40	-1.0	-42.57	327.91	6.93	-35.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020268449	0	37	-1.0	-44.92	309.46	6.95	-37.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020268449	1	37	-1.0	-44.89	309.51	6.98	-37.91
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020268450	0	44	-1.0	-45.13	352.48	9.57	-35.56
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020268450	1	44	-1.0	-45.13	352.51	9.56	-35.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020268451	0	45	-1.0	-40.51	353.60	7.12	-33.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020268451	1	45	-1.0	-40.51	353.65	7.13	-33.38
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020268452	0	49	-1.0	-42.07	385.92	9.24	-32.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020268452	1	49	-1.0	-42.03	385.95	9.23	-32.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020268453	0	43	-1.0	-41.94	368.12	8.66	-33.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020268453	1	43	-1.0	-41.99	368.18	8.68	-33.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020268454	0	40	-1.0	-45.47	336.32	6.97	-38.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020268454	1	40	-1.0	-45.48	336.27	6.94	-38.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020268455	0	51	-1.0	-40.75	399.59	5.63	-35.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020268455	1	51	-1.0	-40.74	399.64	5.64	-35.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020268456	0	48	-1.0	-43.44	377.78	5.01	-38.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020268456	1	48	-1.0	-43.46	377.84	5.04	-38.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020268457	0	44	-1.0	-41.68	343.84	5.05	-36.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020268457	1	44	-1.0	-41.67	343.90	5.06	-36.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020268458	0	41	-1.0	-45.89	321.95	5.12	-40.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020268458	1	41	-1.0	-45.88	321.89	5.09	-40.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020268459	0	48	-1.0	-43.50	373.25	7.55	-35.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020268459	1	48	-1.0	-43.44	373.28	7.55	-35.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020268460	0	44	-1.0	-49.85	365.13	1.66	-48.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020268460	1	44	-1.0	-49.87	365.19	1.67	-48.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020268461	0	41	-1.0	-50.87	343.62	0.86	-50.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020268461	1	41	-1.0	-50.87	343.68	0.89	-49.98
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020268462	0	48	-1.0	-58.97	386.22	2.99	-55.98
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020268462	1	48	-1.0	-58.95	386.25	2.98	-55.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020268463	0	46	-1.0	-40.34	353.24	3.81	-36.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020268463	1	46	-1.0	-40.31	353.30	3.83	-36.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020268464	0	43	-1.0	-43.41	341.46	2.22	-41.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020268464	1	43	-1.0	-43.41	341.52	2.25	-41.16
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CO)C1C	REAL300020268465	0	50	-1.0	-42.14	381.39	5.78	-36.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CO)C1C	REAL300020268465	1	50	-1.0	-42.11	381.43	5.77	-36.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020268466	0	45	-1.0	-46.78	372.85	7.95	-38.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020268466	1	45	-1.0	-46.73	372.91	7.96	-38.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020268467	0	42	-1.0	-47.57	349.29	7.06	-40.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020268467	1	42	-1.0	-47.59	349.23	7.03	-40.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020268468	0	57	-1.0	-39.99	410.40	8.59	-31.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020268468	1	57	-1.0	-40.01	410.46	8.61	-31.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020268469	0	54	-1.0	-42.71	388.94	8.03	-34.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020268469	1	54	-1.0	-42.73	389.00	8.04	-34.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020268470	0	56	-1.0	-41.80	441.19	7.31	-34.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020268470	1	56	-1.0	-41.76	441.24	7.32	-34.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020268471	0	53	-1.0	-44.30	420.29	6.59	-37.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020268471	1	53	-1.0	-44.32	420.34	6.62	-37.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2F)CC1	REAL300020268472	0	49	-1.0	-48.85	400.68	9.96	-38.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2F)CC1	REAL300020268472	1	49	-1.0	-48.83	400.74	9.98	-38.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=C(F)C=CC=C2F)CC1	REAL300020268473	0	49	-1.0	-44.05	396.26	9.78	-34.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=C(F)C=CC=C2F)CC1	REAL300020268473	1	49	-1.0	-44.06	396.32	9.80	-34.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020268474	0	51	0.0	-73.47	405.61	7.52	-65.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020268474	1	51	0.0	-73.42	405.67	7.55	-65.87
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC)C1CC(C)(C)C1	REAL300020268475	0	48	-1.0	-40.34	364.85	7.78	-32.56
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC)C1CC(C)(C)C1	REAL300020268475	1	48	-1.0	-40.30	364.90	7.80	-32.50
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC)C1CC(C)(C)C1	REAL300020268476	0	45	-1.0	-43.36	357.68	7.05	-36.31
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC)C1CC(C)(C)C1	REAL300020268476	1	45	-1.0	-43.32	357.73	7.08	-36.24
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC)C1CC(C)(C)C1	REAL300020268477	0	52	-1.0	-42.32	406.26	9.68	-32.64
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC)C1CC(C)(C)C1	REAL300020268477	1	52	-1.0	-42.30	406.30	9.67	-32.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC(F)=CC=C2F)CC1	REAL300020268478	0	49	-1.0	-44.46	401.17	9.58	-34.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC(F)=CC=C2F)CC1	REAL300020268478	1	49	-1.0	-44.46	401.23	9.60	-34.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020268479	0	47	-1.0	-40.62	373.10	8.75	-31.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020268479	1	47	-1.0	-40.55	373.15	8.77	-31.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020268480	0	44	-1.0	-44.60	340.08	7.39	-37.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020268480	1	44	-1.0	-44.63	340.14	7.42	-37.21
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020268481	0	51	-1.0	-44.24	388.87	10.13	-34.11
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020268481	1	51	-1.0	-44.23	388.89	10.12	-34.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020268482	0	53	-1.0	-42.26	421.50	8.94	-33.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020268482	1	53	-1.0	-42.31	421.56	8.95	-33.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020268483	0	50	-1.0	-45.88	385.27	7.81	-38.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020268483	1	50	-1.0	-45.87	385.33	7.84	-38.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020268484	0	47	-1.0	-43.49	382.05	7.77	-35.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020268484	1	47	-1.0	-43.48	382.11	7.78	-35.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020268485	0	44	-1.0	-44.91	360.55	6.97	-37.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020268485	1	44	-1.0	-44.91	360.60	7.00	-37.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCS2(=O)=O)CC1	REAL300020268486	0	51	-1.0	-51.27	412.64	4.14	-47.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCS2(=O)=O)CC1	REAL300020268486	1	51	-1.0	-51.30	412.69	4.16	-47.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCS2(=O)=O)CC1	REAL300020268487	0	48	-1.0	-53.88	390.79	3.53	-50.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCS2(=O)=O)CC1	REAL300020268487	1	48	-1.0	-53.92	390.85	3.55	-50.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300020268488	0	50	-1.0	-46.05	401.87	7.77	-38.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300020268488	1	50	-1.0	-46.05	401.93	7.79	-38.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300020268489	0	47	-1.0	-46.37	383.88	7.10	-39.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300020268489	1	47	-1.0	-46.42	383.93	7.12	-39.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020268490	0	53	-1.0	-41.50	402.04	10.05	-31.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020268490	1	53	-1.0	-41.54	402.10	10.07	-31.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020268491	0	50	-1.0	-44.32	382.62	9.68	-34.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020268491	1	50	-1.0	-44.31	382.68	9.70	-34.61
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020268492	0	46	-1.0	-41.76	369.79	8.20	-33.56
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020268492	1	46	-1.0	-41.82	369.82	8.19	-33.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020268493	0	40	-1.0	-41.20	334.09	4.85	-36.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020268493	1	40	-1.0	-41.21	334.15	4.86	-36.35
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020268494	0	44	-1.0	-43.41	362.39	6.81	-36.60
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020268494	1	44	-1.0	-43.40	362.44	6.80	-36.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020268495	0	55	-1.0	-43.35	429.82	4.57	-38.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020268495	1	55	-1.0	-43.37	429.88	4.59	-38.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020268495	1	56	0.0	-64.81	427.25	6.69	-58.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020268496	0	52	-1.0	-45.75	408.06	3.76	-41.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020268496	1	52	-1.0	-45.79	408.12	3.79	-42.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020268496	1	53	0.0	-62.99	409.40	6.00	-56.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020268497	0	55	0.0	-65.70	423.93	10.21	-55.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020268497	1	55	0.0	-65.65	423.85	10.21	-55.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020268497	1	54	-1.0	-40.74	411.26	7.41	-33.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020268497	1	54	-1.0	-40.73	411.32	7.43	-33.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020268498	0	52	0.0	-64.30	402.42	9.44	-54.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020268498	1	52	0.0	-63.98	389.14	9.70	-54.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020268498	1	51	-1.0	-43.32	404.65	7.10	-36.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020268498	1	51	-1.0	-43.33	404.71	7.12	-36.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020268499	0	49	-1.0	-42.46	392.05	10.27	-32.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020268499	1	49	-1.0	-42.45	392.11	10.28	-32.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020268500	0	46	-1.0	-43.64	359.88	7.87	-35.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020268500	1	46	-1.0	-43.65	359.82	7.85	-35.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCN(CC(F)(F)F)CC1	REAL300020268501	0	50	-1.0	-41.27	389.86	5.48	-35.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCN(CC(F)(F)F)CC1	REAL300020268501	1	50	-1.0	-41.29	389.92	5.49	-35.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(CC(F)(F)F)CC1	REAL300020268502	0	47	-1.0	-41.60	376.16	5.27	-36.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(CC(F)(F)F)CC1	REAL300020268502	1	47	-1.0	-41.64	376.21	5.30	-36.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020268503	0	53	-1.0	-48.36	398.31	7.76	-40.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020268503	1	53	-1.0	-48.40	398.37	7.78	-40.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020268504	0	50	-1.0	-45.11	381.42	6.61	-38.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020268504	1	50	-1.0	-45.09	381.47	6.63	-38.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020268505	0	46	-1.0	-40.15	361.27	7.97	-32.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020268505	1	46	-1.0	-40.19	361.33	7.99	-32.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020268506	0	43	-1.0	-42.83	339.42	7.30	-35.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020268506	1	43	-1.0	-42.85	339.47	7.32	-35.53
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020268507	0	50	-1.0	-41.81	390.35	9.98	-31.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020268507	1	50	-1.0	-41.86	390.39	9.97	-31.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020268508	0	48	-1.0	-39.82	389.93	9.00	-30.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020268508	1	48	-1.0	-39.83	389.99	9.01	-30.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020268509	0	45	-1.0	-42.33	368.21	8.26	-34.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020268509	1	45	-1.0	-42.36	368.16	8.24	-34.12
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020268510	0	52	-1.0	-42.95	407.31	11.04	-31.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020268510	1	52	-1.0	-42.96	407.32	11.03	-31.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020268511	0	48	-1.0	-47.63	385.73	3.35	-44.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020268511	1	48	-1.0	-47.64	385.79	3.37	-44.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020268512	0	45	-1.0	-49.37	364.83	2.64	-46.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020268512	1	45	-1.0	-49.34	364.89	2.66	-46.68
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020268513	0	52	-1.0	-50.31	414.72	5.22	-45.09
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020268513	1	52	-1.0	-50.27	414.77	5.21	-45.06
CCOC1=CC=CC(CN(CCO)C2=NN=C(CCC3=N[N-]N=N3)N2CC)=C1	REAL300020268514	0	53	-1.0	-44.06	431.24	4.73	-39.33
CCOC1=CC=CC(CN(CCO)C2=NN=C(CCC3=NN=N[N-]3)N2CC)=C1	REAL300020268514	1	53	-1.0	-44.09	431.30	4.74	-39.35
CCOC1=CC=CC(CN(CCO)C2=NN=C(CC3=N[N-]N=N3)N2CC)=C1	REAL300020268515	0	50	-1.0	-45.25	397.04	4.30	-40.95
CCOC1=CC=CC(CN(CCO)C2=NN=C(CC3=NN=N[N-]3)N2CC)=C1	REAL300020268515	1	50	-1.0	-45.23	397.09	4.32	-40.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020268516	0	44	-1.0	-41.65	368.65	6.85	-34.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020268516	1	44	-1.0	-41.66	368.71	6.86	-34.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020268517	0	41	-1.0	-44.42	347.11	6.13	-38.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020268517	1	41	-1.0	-44.43	347.06	6.10	-38.33
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020268518	0	48	-1.0	-43.53	391.23	9.05	-34.48
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020268518	1	48	-1.0	-43.48	391.28	9.04	-34.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1	REAL300020268519	0	56	-1.0	-44.38	426.02	7.48	-36.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1	REAL300020268519	1	56	-1.0	-44.43	426.08	7.50	-36.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(F)C(Cl)=C1	REAL300020268520	0	46	-1.0	-43.82	390.55	7.02	-36.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(F)C(Cl)=C1	REAL300020268520	1	46	-1.0	-43.80	390.61	7.04	-36.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020268521	0	51	-1.0	-40.82	379.61	8.17	-32.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020268521	1	51	-1.0	-40.82	379.66	8.18	-32.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020268522	0	48	-1.0	-44.15	354.51	7.63	-36.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020268522	1	48	-1.0	-44.12	354.56	7.65	-36.47
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020268523	0	55	-1.0	-42.15	412.14	10.23	-31.92
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020268523	1	55	-1.0	-42.13	412.18	10.22	-31.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020268524	0	46	-1.0	-41.37	397.15	7.61	-33.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020268524	1	46	-1.0	-41.34	397.21	7.63	-33.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020268525	0	43	-1.0	-44.01	371.59	6.88	-37.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020268525	1	43	-1.0	-44.04	371.65	6.90	-37.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020268526	0	48	-1.0	-44.76	385.71	7.71	-37.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020268526	1	48	-1.0	-44.78	385.77	7.73	-37.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020268527	0	45	-1.0	-46.70	360.83	6.79	-39.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020268527	1	45	-1.0	-46.68	360.89	6.81	-39.87
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020268528	0	52	-1.0	-47.94	410.58	9.60	-38.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020268528	1	52	-1.0	-47.92	410.60	9.59	-38.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC(C)(C)C)C1	REAL300020268529	0	57	-1.0	-49.38	429.49	8.97	-40.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC(C)(C)C)C1	REAL300020268529	1	57	-1.0	-49.37	429.54	9.00	-40.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCOC	REAL300020268530	0	45	-1.0	-41.41	369.06	5.48	-35.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCOC	REAL300020268530	1	45	-1.0	-41.42	369.12	5.50	-35.92
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCCOC	REAL300020268531	0	49	-1.0	-43.30	397.24	7.47	-35.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCCOC	REAL300020268531	1	49	-1.0	-43.30	397.29	7.46	-35.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC(C)(C)C)C1	REAL300020268532	0	57	-1.0	-41.70	442.28	9.49	-32.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC(C)(C)C)C1	REAL300020268532	1	57	-1.0	-41.67	442.33	9.50	-32.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC(C)(C)C)C1	REAL300020268533	0	54	-1.0	-44.09	420.47	8.87	-35.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC(C)(C)C)C1	REAL300020268533	1	54	-1.0	-44.07	420.53	8.89	-35.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020268535	0	50	-1.0	-39.20	394.00	7.42	-31.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020268535	1	50	-1.0	-39.23	394.06	7.43	-31.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020268536	0	47	-1.0	-41.66	372.18	6.80	-34.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020268536	1	47	-1.0	-41.67	372.24	6.82	-34.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020268537	0	54	-1.0	-41.58	421.39	9.70	-31.88
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020268537	1	54	-1.0	-41.62	421.42	9.69	-31.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020268538	0	46	-1.0	-40.18	374.67	5.99	-34.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020268538	1	46	-1.0	-40.19	374.73	6.00	-34.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020268539	0	43	-1.0	-42.16	353.56	5.18	-36.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020268539	1	43	-1.0	-42.16	353.61	5.20	-36.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020268540	0	54	-1.0	-39.99	369.75	9.75	-30.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020268540	1	54	-1.0	-40.02	369.81	9.77	-30.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020268541	0	51	-1.0	-41.37	348.42	8.75	-32.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020268541	1	51	-1.0	-41.36	348.48	8.78	-32.58
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020268542	0	58	-1.0	-42.02	400.08	11.55	-30.47
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020268542	1	58	-1.0	-42.04	400.11	11.54	-30.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020268543	0	45	-1.0	-41.18	346.20	7.10	-34.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020268543	1	45	-1.0	-41.18	346.25	7.12	-34.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1C	REAL300020268544	0	49	-1.0	-41.92	381.71	9.00	-32.92
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1C	REAL300020268544	1	49	-1.0	-41.81	382.01	9.00	-32.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020268545	0	45	-1.0	-39.96	370.36	7.92	-32.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020268545	1	45	-1.0	-39.97	370.41	7.93	-32.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020268546	0	42	-1.0	-42.09	349.44	6.93	-35.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020268546	1	42	-1.0	-42.10	349.50	6.96	-35.14
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC(CC)O1	REAL300020268547	0	49	-1.0	-39.97	387.47	7.00	-32.97
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC(CC)O1	REAL300020268547	1	49	-1.0	-39.96	387.52	7.02	-32.94
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC(CC)O1	REAL300020268548	0	46	-1.0	-41.76	364.82	6.23	-35.53
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC(CC)O1	REAL300020268548	1	46	-1.0	-41.74	364.87	6.26	-35.48
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC(CC)O1	REAL300020268549	0	53	-1.0	-41.98	415.85	9.08	-32.90
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC(CC)O1	REAL300020268549	1	53	-1.0	-41.95	415.90	9.07	-32.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020268550	0	49	-1.0	-41.14	411.08	6.50	-34.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020268550	1	49	-1.0	-41.22	411.13	6.52	-34.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020268551	0	46	-1.0	-44.07	389.83	5.68	-38.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020268551	1	46	-1.0	-44.06	389.88	5.71	-38.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020268552	0	46	-1.0	-42.45	367.64	8.15	-34.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020268552	1	46	-1.0	-42.44	367.70	8.17	-34.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020268553	0	43	-1.0	-45.36	342.25	7.44	-37.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020268553	1	43	-1.0	-45.38	342.18	7.43	-37.95
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020268554	0	50	-1.0	-44.12	393.35	10.24	-33.88
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020268554	1	50	-1.0	-44.13	393.38	10.23	-33.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020268555	0	43	-1.0	-47.47	349.90	3.91	-43.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020268555	1	43	-1.0	-47.50	349.95	3.93	-43.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020268556	0	40	-1.0	-50.32	328.40	3.13	-47.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020268556	1	40	-1.0	-50.36	328.45	3.15	-47.21
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020268557	0	47	-1.0	-49.14	378.28	5.88	-43.26
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020268557	1	47	-1.0	-49.18	378.33	5.87	-43.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020268558	0	49	-1.0	-40.79	375.58	8.50	-32.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020268558	1	49	-1.0	-40.77	375.64	8.51	-32.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020268559	0	46	-1.0	-44.34	347.88	7.99	-36.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020268559	1	46	-1.0	-44.35	347.93	8.01	-36.34
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020268560	0	53	-1.0	-42.66	403.00	10.64	-32.02
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020268560	1	53	-1.0	-42.64	403.05	10.63	-32.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020268561	0	43	-1.0	-45.13	339.98	10.41	-34.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020268561	1	43	-1.0	-45.11	340.04	10.42	-34.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020268562	0	40	-1.0	-48.44	318.18	9.81	-38.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020268562	1	40	-1.0	-48.42	318.12	9.80	-38.62
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020268563	0	47	-1.0	-46.78	372.35	12.52	-34.26
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020268563	1	47	-1.0	-46.77	372.38	12.51	-34.26
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020268564	0	52	-1.0	-41.85	416.74	9.05	-32.80
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020268564	1	52	-1.0	-41.90	416.80	9.06	-32.84
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020268565	0	49	-1.0	-44.05	400.48	8.05	-36.00
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020268565	1	49	-1.0	-44.05	400.53	8.08	-35.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020268566	0	55	0.0	-63.61	401.36	6.54	-57.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020268566	1	54	-1.0	-40.59	399.57	4.42	-36.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020268566	1	54	-1.0	-40.56	399.63	4.43	-36.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020268567	0	52	0.0	-60.81	388.04	5.87	-54.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020268567	1	51	-1.0	-42.12	390.20	3.69	-38.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020268567	1	51	-1.0	-42.14	390.26	3.71	-38.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=C(CCCC3)S2)CC1	REAL300020268568	0	52	-1.0	-43.58	419.80	8.73	-34.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=C(CCCC3)S2)CC1	REAL300020268568	1	52	-1.0	-43.58	419.86	8.74	-34.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020268569	0	45	-1.0	-47.01	368.92	5.82	-41.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020268569	1	45	-1.0	-47.06	368.87	5.81	-41.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020268570	0	42	-1.0	-47.18	347.41	5.05	-42.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020268570	1	42	-1.0	-47.21	347.35	5.02	-42.19
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020268571	0	49	-1.0	-51.12	386.88	7.67	-43.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020268571	1	49	-1.0	-51.15	386.84	7.66	-43.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020268572	0	56	0.0	-66.87	427.89	10.26	-56.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020268572	1	56	0.0	-65.47	419.46	9.91	-55.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020268573	0	53	0.0	-66.25	403.74	9.89	-56.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020268573	1	53	0.0	-61.90	400.93	9.38	-52.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC3=C(F)C=CC(F)=C3O[C@H]2C1	REAL300020268574	0	43	-1.0	-43.88	363.74	6.42	-37.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC3=C(F)C=CC(F)=C3O[C@H]2C1	REAL300020268574	1	43	-1.0	-43.88	363.80	6.45	-37.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020268575	0	45	-1.0	-40.22	348.14	6.36	-33.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020268575	1	45	-1.0	-40.21	348.20	6.37	-33.84
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020268576	0	49	-1.0	-41.83	382.11	8.94	-32.89
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020268576	1	49	-1.0	-41.85	382.16	8.93	-32.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020268577	0	46	-1.0	-44.38	388.50	8.03	-36.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020268577	1	46	-1.0	-44.34	388.56	8.05	-36.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020268578	0	43	-1.0	-45.89	360.56	7.60	-38.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020268578	1	43	-1.0	-45.93	360.51	7.59	-38.34
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020268579	0	50	-1.0	-46.96	413.72	10.89	-36.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020268579	1	50	-1.0	-46.95	413.73	10.88	-36.07
CCN(CCC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020268580	0	48	-1.0	-44.73	402.14	8.83	-35.90
CCN(CCC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020268580	1	48	-1.0	-44.75	402.19	8.86	-35.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300020268581	0	49	-1.0	-48.73	418.57	7.46	-41.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300020268581	1	49	-1.0	-48.73	418.63	7.48	-41.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020268582	0	52	-1.0	-41.85	401.97	10.14	-31.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020268582	1	52	-1.0	-41.85	402.03	10.16	-31.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020268583	0	49	-1.0	-44.23	389.81	9.77	-34.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020268583	1	49	-1.0	-44.20	389.75	9.74	-34.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(C(F)(F)F)=C1)C(C)C	REAL300020268584	0	48	-1.0	-52.65	393.49	7.88	-44.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(C(F)(F)F)=C1)C(C)C	REAL300020268584	1	48	-1.0	-52.62	393.55	7.91	-44.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020268585	0	45	-1.0	-40.90	363.16	6.21	-34.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020268585	1	45	-1.0	-40.91	363.22	6.23	-34.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020268586	0	42	-1.0	-42.14	345.48	5.30	-36.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020268586	1	42	-1.0	-42.14	345.53	5.33	-36.81
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020268587	0	49	-1.0	-44.25	383.06	8.17	-36.08
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020268587	1	49	-1.0	-44.24	383.09	8.15	-36.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020268588	0	44	-1.0	-42.34	343.93	5.51	-36.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020268588	1	44	-1.0	-42.38	343.99	5.53	-36.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020268589	0	41	-1.0	-45.26	324.40	4.71	-40.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020268589	1	41	-1.0	-45.30	324.46	4.74	-40.56
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020268590	0	48	-1.0	-43.86	371.24	7.58	-36.28
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020268590	1	48	-1.0	-43.81	371.27	7.57	-36.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020268591	0	50	-1.0	-42.38	394.78	7.52	-34.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020268591	1	50	-1.0	-42.36	394.83	7.54	-34.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020268592	0	47	-1.0	-45.13	373.00	6.38	-38.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020268592	1	47	-1.0	-45.12	373.06	6.40	-38.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020268593	0	49	-1.0	-42.81	389.88	6.72	-36.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020268593	1	49	-1.0	-42.82	389.94	6.74	-36.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020268594	0	46	-1.0	-42.14	367.43	6.38	-35.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020268594	1	46	-1.0	-42.20	367.49	6.40	-35.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020268595	0	53	-1.0	-41.68	400.06	7.56	-34.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020268595	1	53	-1.0	-41.67	400.12	7.58	-34.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020268596	0	50	-1.0	-43.69	378.88	6.77	-36.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020268596	1	50	-1.0	-43.65	378.94	6.80	-36.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020268597	0	55	-1.0	-40.77	390.35	8.88	-31.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020268597	1	55	-1.0	-40.79	390.40	8.89	-31.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020268598	0	52	-1.0	-42.67	368.25	8.34	-34.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020268598	1	52	-1.0	-42.70	368.31	8.36	-34.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)C1	REAL300020268599	0	53	-1.0	-46.56	429.58	7.51	-39.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)C1	REAL300020268599	1	53	-1.0	-46.54	429.64	7.52	-39.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)C1	REAL300020268600	0	50	-1.0	-46.96	408.08	6.72	-40.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC2=CC=CC=C2)C1	REAL300020268600	1	50	-1.0	-46.96	408.14	6.75	-40.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020268601	0	57	-1.0	-41.52	433.89	9.30	-32.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020268601	1	57	-1.0	-41.56	433.95	9.31	-32.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020268602	0	54	-1.0	-42.28	412.39	8.51	-33.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020268602	1	54	-1.0	-42.32	412.45	8.54	-33.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020268603	0	50	-1.0	-41.46	371.62	6.16	-35.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020268603	1	50	-1.0	-41.43	371.67	6.18	-35.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020268604	0	47	-1.0	-44.66	352.54	5.79	-38.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020268604	1	47	-1.0	-44.66	352.60	5.82	-38.84
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020268605	0	54	-1.0	-43.37	404.11	8.26	-35.11
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020268605	1	54	-1.0	-43.29	404.14	8.24	-35.05
C#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020268606	0	41	-1.0	-40.56	337.52	7.44	-33.12
C#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020268606	1	41	-1.0	-40.53	337.58	7.45	-33.08
C#CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020268607	0	45	-1.0	-41.99	366.51	9.30	-32.69
C#CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020268607	1	45	-1.0	-41.93	366.55	9.29	-32.64
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020268608	0	44	-1.0	-40.03	362.37	8.01	-32.02
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020268608	1	44	-1.0	-40.04	362.43	8.02	-32.02
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020268609	0	41	-1.0	-42.26	341.22	7.20	-35.06
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020268609	1	41	-1.0	-42.30	341.16	7.17	-35.13
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020268610	0	48	-1.0	-42.06	389.71	9.95	-32.11
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020268610	1	48	-1.0	-41.98	389.75	9.93	-32.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020268611	0	51	-1.0	-42.40	406.20	7.71	-34.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020268611	1	51	-1.0	-42.36	406.26	7.73	-34.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020268612	0	48	-1.0	-42.17	393.67	7.73	-34.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020268612	1	48	-1.0	-42.18	393.61	7.71	-34.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300020268613	0	48	-1.0	-42.91	379.81	7.05	-35.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300020268613	1	48	-1.0	-42.91	379.87	7.07	-35.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300020268614	0	45	-1.0	-44.90	370.43	6.32	-38.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300020268614	1	45	-1.0	-44.91	370.49	6.35	-38.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020268615	0	46	-1.0	-39.49	364.98	5.99	-33.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020268615	1	46	-1.0	-39.51	365.03	6.01	-33.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020268616	0	43	-1.0	-46.00	340.63	5.32	-40.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020268616	1	43	-1.0	-46.01	340.68	5.34	-40.67
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020268617	0	50	-1.0	-41.23	395.87	8.04	-33.19
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020268617	1	50	-1.0	-41.18	395.87	8.03	-33.15
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C(=O)OC(C)(C)C)C1	REAL300020268618	0	57	-1.0	-41.68	438.42	9.15	-32.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C(=O)OC(C)(C)C)C1	REAL300020268618	1	57	-1.0	-41.68	438.47	9.17	-32.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C(=O)OC(C)(C)C)C1	REAL300020268619	0	54	-1.0	-44.61	406.03	8.01	-36.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C(=O)OC(C)(C)C)C1	REAL300020268619	1	54	-1.0	-44.60	406.09	8.03	-36.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020268620	0	46	-1.0	-44.07	373.23	7.15	-36.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020268620	1	46	-1.0	-44.05	373.18	7.14	-36.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020268621	0	43	-1.0	-45.48	346.18	6.47	-39.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020268621	1	43	-1.0	-45.43	346.12	6.45	-38.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300020268622	0	49	-1.0	-44.61	400.15	9.76	-34.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300020268622	1	49	-1.0	-44.59	400.21	9.77	-34.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300020268623	0	46	-1.0	-46.95	378.91	8.95	-38.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300020268623	1	46	-1.0	-46.92	378.97	8.97	-37.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020268624	0	47	-1.0	-48.29	381.32	2.50	-45.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020268624	1	47	-1.0	-48.28	381.38	2.52	-45.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020268625	0	44	-1.0	-50.87	365.10	1.58	-49.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020268625	1	44	-1.0	-50.85	365.16	1.60	-49.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020268626	0	47	-1.0	-42.49	375.39	7.79	-34.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020268626	1	47	-1.0	-42.50	375.45	7.81	-34.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020268627	0	44	-1.0	-42.98	348.51	7.12	-35.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020268627	1	44	-1.0	-42.99	348.57	7.14	-35.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020268628	0	55	0.0	-61.16	411.07	6.30	-54.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020268628	1	55	0.0	-60.00	411.61	7.08	-52.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020268628	1	54	-1.0	-40.65	409.20	4.84	-35.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020268628	1	54	-1.0	-40.69	409.25	4.85	-35.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020268629	0	52	0.0	-59.74	389.50	5.53	-54.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020268629	1	52	0.0	-57.96	390.11	6.30	-51.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020268629	1	51	-1.0	-43.70	387.69	4.05	-39.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020268629	1	51	-1.0	-43.70	387.75	4.08	-39.62
CCCC1=NOC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)=N1	REAL300020268630	0	53	-1.0	-46.72	429.45	6.62	-40.10
CCCC1=NOC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)=N1	REAL300020268630	1	53	-1.0	-46.76	429.51	6.64	-40.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNC(C)=O	REAL300020268631	0	42	-1.0	-43.88	348.92	3.09	-40.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNC(C)=O	REAL300020268631	1	42	-1.0	-43.82	348.98	3.11	-40.71
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCNC(C)=O	REAL300020268632	0	46	-1.0	-45.84	381.38	5.18	-40.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCNC(C)=O	REAL300020268632	1	46	-1.0	-45.76	381.43	5.17	-40.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020268633	0	45	-1.0	-43.61	360.04	6.55	-37.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020268633	1	45	-1.0	-43.59	360.09	6.56	-37.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020268634	0	42	-1.0	-45.95	334.97	5.84	-40.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020268634	1	42	-1.0	-45.98	335.03	5.87	-40.11
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020268635	0	49	-1.0	-42.85	398.69	8.66	-34.19
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020268635	1	49	-1.0	-42.86	398.73	8.65	-34.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020268636	0	40	-1.0	-40.28	343.35	7.56	-32.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020268636	1	40	-1.0	-40.27	343.41	7.57	-32.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020268637	0	37	-1.0	-40.51	321.92	6.80	-33.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020268637	1	37	-1.0	-40.50	321.86	6.77	-33.73
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020268638	0	44	-1.0	-42.66	371.73	9.54	-33.12
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020268638	1	44	-1.0	-42.69	371.77	9.53	-33.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020268639	0	44	-1.0	-42.15	359.55	6.76	-35.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020268639	1	44	-1.0	-42.16	359.61	6.77	-35.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020268640	0	41	-1.0	-43.62	338.18	6.00	-37.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020268640	1	41	-1.0	-43.61	338.12	5.97	-37.64
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020268641	0	48	-1.0	-44.45	384.68	8.56	-35.89
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020268641	1	48	-1.0	-44.39	384.72	8.55	-35.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020268642	0	41	-1.0	-42.96	350.91	7.85	-35.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020268642	1	41	-1.0	-42.98	350.97	7.87	-35.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020268643	0	38	-1.0	-44.22	328.86	7.04	-37.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020268643	1	38	-1.0	-44.23	328.80	7.01	-37.22
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020268644	0	45	-1.0	-45.78	376.04	9.66	-36.12
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020268644	1	45	-1.0	-45.76	376.06	9.65	-36.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2NC(C)=O)C1	REAL300020268645	0	50	-1.0	-46.17	400.43	6.88	-39.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2NC(C)=O)C1	REAL300020268645	1	50	-1.0	-46.21	400.48	6.89	-39.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2NC(C)=O)C1	REAL300020268646	0	47	-1.0	-48.07	375.39	6.62	-41.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2NC(C)=O)C1	REAL300020268646	1	47	-1.0	-48.08	375.45	6.64	-41.44
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020268647	0	41	-1.0	-41.42	341.81	7.42	-34.00
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020268647	1	41	-1.0	-41.41	341.87	7.44	-33.97
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020268648	0	45	-1.0	-44.75	358.86	9.30	-35.45
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020268648	1	45	-1.0	-44.70	358.89	9.29	-35.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OC(F)(F)OC2=C1	REAL300020268649	0	45	-1.0	-40.84	391.11	6.90	-33.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OC(F)(F)OC2=C1	REAL300020268649	1	45	-1.0	-40.83	391.17	6.91	-33.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OC(F)(F)OC2=C1	REAL300020268650	0	42	-1.0	-42.70	369.34	6.14	-36.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OC(F)(F)OC2=C1	REAL300020268650	1	42	-1.0	-42.73	369.39	6.16	-36.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C	REAL300020268651	0	45	-2.0	-83.45	362.74	2.56	-80.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C	REAL300020268651	1	46	-1.0	-42.59	385.54	4.74	-37.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C	REAL300020268651	1	46	-1.0	-42.59	385.60	4.76	-37.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C	REAL300020268651	1	45	-2.0	-83.44	362.80	2.56	-80.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300020268652	0	47	-1.0	-43.90	403.00	8.78	-35.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300020268652	1	47	-1.0	-43.92	403.06	8.79	-35.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300020268653	0	44	-1.0	-44.44	377.61	8.07	-36.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300020268653	1	44	-1.0	-44.44	377.55	8.06	-36.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)OC)C1	REAL300020268654	0	52	-1.0	-43.77	421.93	9.54	-34.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)OC)C1	REAL300020268654	1	52	-1.0	-43.77	421.98	9.55	-34.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)OC)C1	REAL300020268655	0	49	-1.0	-46.10	395.04	8.86	-37.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)OC)C1	REAL300020268655	1	49	-1.0	-46.10	395.09	8.89	-37.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=C(C)C=N2)CC1	REAL300020268656	0	51	-1.0	-44.23	414.04	5.02	-39.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=C(C)C=N2)CC1	REAL300020268656	1	51	-1.0	-44.23	413.98	5.01	-39.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=C(C)C=N2)CC1	REAL300020268657	0	48	-1.0	-46.95	392.25	4.42	-42.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=C(C)C=N2)CC1	REAL300020268657	1	48	-1.0	-46.98	392.19	4.41	-42.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020268658	0	49	-1.0	-44.21	380.26	7.24	-36.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020268658	1	49	-1.0	-44.16	380.31	7.25	-36.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020268659	0	46	-1.0	-41.87	370.60	7.27	-34.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020268659	1	46	-1.0	-41.84	370.64	7.29	-34.55
CCC1=CSC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)=N1	REAL300020268660	0	51	-1.0	-45.41	421.30	8.04	-37.37
CCC1=CSC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)=N1	REAL300020268660	1	51	-1.0	-45.38	421.36	8.07	-37.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=NC=CC=C3C=C2)CC1	REAL300020268661	0	50	-1.0	-52.53	403.57	8.22	-44.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=NC=CC=C3C=C2)CC1	REAL300020268661	1	50	-1.0	-52.54	403.63	8.24	-44.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020268662	0	54	0.0	-61.02	392.43	7.74	-53.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020268662	1	54	0.0	-61.05	392.49	7.75	-53.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020268663	0	51	0.0	-59.76	370.61	7.13	-52.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020268663	1	51	0.0	-59.79	370.67	7.14	-52.65
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020268664	0	58	0.0	-67.54	419.82	10.04	-57.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020268664	1	58	0.0	-67.44	419.86	10.03	-57.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020268665	0	40	-1.0	-39.71	344.67	3.63	-36.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020268665	1	40	-1.0	-39.68	344.73	3.64	-36.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020268666	0	37	-1.0	-40.68	323.05	2.92	-37.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020268666	1	37	-1.0	-40.68	323.00	2.89	-37.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020268667	0	44	-1.0	-42.64	365.48	5.85	-36.79
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020268667	1	44	-1.0	-42.56	365.50	5.85	-36.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020268668	0	50	-1.0	-41.18	397.99	7.53	-33.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020268668	1	50	-1.0	-41.20	398.04	7.54	-33.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020268669	0	47	-1.0	-43.45	375.65	6.93	-36.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020268669	1	47	-1.0	-43.45	375.70	6.96	-36.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020268670	0	54	-1.0	-43.50	425.73	9.71	-33.79
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020268670	1	54	-1.0	-43.47	425.77	9.70	-33.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020268671	0	47	-1.0	-46.53	382.14	8.03	-38.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020268671	1	47	-1.0	-46.53	382.08	8.01	-38.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020268672	0	44	-1.0	-47.30	360.63	7.25	-40.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020268672	1	44	-1.0	-47.26	360.58	7.23	-40.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020268673	0	52	-1.0	-40.87	395.92	8.39	-32.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020268673	1	52	-1.0	-40.86	395.98	8.41	-32.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020268674	0	49	-1.0	-44.06	374.67	8.47	-35.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020268674	1	49	-1.0	-44.12	374.72	8.49	-35.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CC1CCCC1	REAL300020268675	0	56	-1.0	-42.42	424.15	10.39	-32.03
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CC1CCCC1	REAL300020268675	1	56	-1.0	-42.44	424.19	10.38	-32.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020268676	0	47	-1.0	-44.87	366.66	2.91	-41.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020268676	1	47	-1.0	-44.87	366.72	2.93	-41.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020268677	0	44	-1.0	-46.16	349.63	2.06	-44.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020268677	1	44	-1.0	-46.14	349.69	2.08	-44.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020268678	0	51	-1.0	-45.95	399.47	4.89	-41.06
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020268678	1	51	-1.0	-45.90	399.51	4.88	-41.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020268679	0	53	-1.0	-39.87	399.41	7.95	-31.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020268679	1	53	-1.0	-39.84	399.47	7.96	-31.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020268680	0	50	-1.0	-42.86	378.65	7.56	-35.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020268680	1	50	-1.0	-42.89	378.70	7.58	-35.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020268681	0	51	0.0	-63.44	392.05	8.04	-55.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020268681	1	51	0.0	-63.37	391.99	8.03	-55.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020268682	0	48	0.0	-59.46	370.17	7.26	-52.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020268682	1	48	0.0	-59.46	370.23	7.29	-52.17
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020268683	0	55	0.0	-68.23	409.93	10.09	-58.14
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020268683	1	55	0.0	-68.28	409.97	10.08	-58.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020268684	0	49	-1.0	-41.60	356.39	6.90	-34.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020268684	1	49	-1.0	-41.60	356.44	6.91	-34.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020268685	0	46	-1.0	-41.46	360.99	8.80	-32.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020268685	1	46	-1.0	-41.44	361.05	8.83	-32.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCOC)CC1	REAL300020268686	0	55	-1.0	-43.51	439.58	3.81	-39.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCOC)CC1	REAL300020268686	1	55	-1.0	-43.52	439.63	3.82	-39.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCOC)CC1	REAL300020268686	1	56	0.0	-66.80	436.95	5.98	-60.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCOC)CC1	REAL300020268687	0	52	-1.0	-45.63	418.05	2.99	-42.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCOC)CC1	REAL300020268687	1	52	-1.0	-45.61	418.11	3.01	-42.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCOC)CC1	REAL300020268687	1	53	0.0	-65.66	414.96	5.38	-60.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020268688	0	40	-1.0	-41.92	322.74	6.15	-35.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020268688	1	40	-1.0	-41.88	322.80	6.17	-35.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020268689	0	37	-1.0	-44.86	315.19	6.12	-38.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020268689	1	37	-1.0	-44.91	315.24	6.14	-38.77
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020268690	0	44	-1.0	-44.04	354.50	8.25	-35.79
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020268690	1	44	-1.0	-43.99	354.55	8.24	-35.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020268691	0	41	-1.0	-44.00	355.56	7.44	-36.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020268691	1	41	-1.0	-43.99	355.62	7.46	-36.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020268692	0	38	-1.0	-50.40	325.15	6.84	-43.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020268692	1	38	-1.0	-50.35	325.09	6.81	-43.54
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020268693	0	45	-1.0	-48.93	374.14	9.57	-39.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020268693	1	45	-1.0	-48.87	374.16	9.56	-39.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300020268694	0	54	-1.0	-40.89	415.44	8.72	-32.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300020268694	1	54	-1.0	-40.84	415.50	8.74	-32.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300020268695	0	51	-1.0	-42.28	393.84	8.19	-34.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300020268695	1	51	-1.0	-42.27	393.89	8.22	-34.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020268696	0	51	-1.0	-40.74	408.43	7.14	-33.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020268696	1	52	0.0	-68.69	408.12	9.47	-59.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020268696	1	51	-1.0	-40.81	408.49	7.16	-33.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020268697	0	48	-1.0	-42.78	386.96	6.36	-36.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020268697	1	49	0.0	-66.56	386.39	8.85	-57.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020268697	1	48	-1.0	-42.78	387.02	6.38	-36.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020268698	0	37	-1.0	-42.83	312.92	6.26	-36.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020268698	1	37	-1.0	-42.83	312.97	6.27	-36.56
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020268699	0	41	-1.0	-45.18	337.91	8.05	-37.13
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020268699	1	41	-1.0	-45.16	337.95	8.04	-37.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020268700	0	39	-1.0	-39.78	328.11	6.34	-33.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020268700	1	39	-1.0	-39.75	328.16	6.36	-33.39
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020268701	0	43	-1.0	-42.44	344.18	8.41	-34.03
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020268701	1	43	-1.0	-42.43	344.20	8.39	-34.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020268702	0	43	-1.0	-41.69	359.75	7.60	-34.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020268702	1	43	-1.0	-41.69	359.80	7.61	-34.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020268703	0	40	-1.0	-45.70	330.20	7.04	-38.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020268703	1	40	-1.0	-45.73	330.26	7.06	-38.67
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020268704	0	47	-1.0	-44.41	384.25	9.77	-34.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020268704	1	47	-1.0	-44.39	384.30	9.76	-34.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC2=CC=CC=C2)C(C)C1C	REAL300020268705	0	58	0.0	-61.47	413.16	10.05	-51.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC2=CC=CC=C2)C(C)C1C	REAL300020268705	1	58	0.0	-66.30	424.03	9.22	-57.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC2=CC=CC=C2)C(C)C1C	REAL300020268705	1	58	0.0	-61.45	413.21	10.07	-51.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC2=CC=CC=C2)C(C)C1C	REAL300020268705	1	58	0.0	-66.33	424.08	9.25	-57.08
CCN1C=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C(C)C)C=N1	REAL300020268706	0	51	-1.0	-48.44	401.47	6.62	-41.82
CCN1C=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C(C)C)C=N1	REAL300020268706	1	51	-1.0	-48.41	401.42	6.60	-41.81
CCN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C(C)C)C=N1	REAL300020268707	0	48	-1.0	-46.75	374.34	6.66	-40.09
CCN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C(C)C)C=N1	REAL300020268707	1	48	-1.0	-46.76	374.29	6.64	-40.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)(C(F)(F)F)C1	REAL300020268708	0	46	-1.0	-49.39	380.30	4.63	-44.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)(C(F)(F)F)C1	REAL300020268708	1	46	-1.0	-49.40	380.35	4.64	-44.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)(C(F)(F)F)C1	REAL300020268709	0	43	-1.0	-46.62	360.84	3.73	-42.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)(C(F)(F)F)C1	REAL300020268709	1	43	-1.0	-46.61	360.90	3.75	-42.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(O)(C2=CC=C(Cl)C=C2)C1	REAL300020268710	0	47	-1.0	-45.86	394.62	6.28	-39.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(O)(C2=CC=C(Cl)C=C2)C1	REAL300020268710	1	47	-1.0	-45.84	394.68	6.31	-39.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020268711	0	46	-1.0	-44.15	380.18	5.84	-38.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020268711	1	46	-1.0	-44.19	380.24	5.85	-38.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020268712	0	43	-1.0	-45.94	357.66	5.44	-40.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020268712	1	43	-1.0	-45.93	357.72	5.46	-40.47
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020268713	0	50	-1.0	-46.44	407.54	8.12	-38.32
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020268713	1	50	-1.0	-46.39	407.60	8.12	-38.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020268714	0	47	-1.0	-40.27	370.74	6.54	-33.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020268714	1	47	-1.0	-40.28	370.80	6.55	-33.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020268715	0	44	-1.0	-42.85	348.20	5.90	-36.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020268715	1	44	-1.0	-42.91	348.26	5.91	-37.00
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020268716	0	51	-1.0	-43.32	390.86	8.45	-34.87
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020268716	1	51	-1.0	-43.26	390.90	8.44	-34.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300020268717	0	49	-1.0	-41.19	366.71	7.34	-33.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300020268717	1	49	-1.0	-41.18	366.77	7.36	-33.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300020268718	0	46	-1.0	-41.03	371.31	9.26	-31.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300020268718	1	46	-1.0	-41.02	371.37	9.28	-31.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300020268719	0	56	-1.0	-41.89	421.50	10.91	-30.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300020268719	1	56	-1.0	-41.85	421.56	10.93	-30.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300020268720	0	53	-1.0	-43.96	399.34	10.09	-33.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300020268720	1	53	-1.0	-44.00	399.39	10.11	-33.89
CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020268721	0	46	-1.0	-39.93	365.43	6.33	-33.60
CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020268721	1	46	-1.0	-39.96	365.49	6.34	-33.62
CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020268722	0	43	-1.0	-41.30	343.93	5.55	-35.75
CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020268722	1	43	-1.0	-41.30	343.99	5.57	-35.73
CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020268723	0	50	-1.0	-41.54	394.43	8.19	-33.35
CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020268723	1	50	-1.0	-41.42	394.46	8.19	-33.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020268724	0	52	-1.0	-43.17	417.74	7.03	-36.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020268724	1	52	-1.0	-43.16	417.80	7.04	-36.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020268725	0	49	-1.0	-45.63	396.25	6.25	-39.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020268725	1	49	-1.0	-45.61	396.30	6.27	-39.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=C(OC)C=C1	REAL300020268726	0	54	-1.0	-43.62	429.77	7.71	-35.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=C(OC)C=C1	REAL300020268726	1	54	-1.0	-43.65	429.83	7.72	-35.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=C(OC)C=C1	REAL300020268727	0	51	-1.0	-46.88	411.72	7.07	-39.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=C(OC)C=C1	REAL300020268727	1	51	-1.0	-46.83	411.78	7.10	-39.73
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC)C1CCCOC1	REAL300020268728	0	46	-1.0	-43.64	349.40	4.66	-38.98
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC)C1CCCOC1	REAL300020268728	1	46	-1.0	-43.71	349.46	4.68	-39.03
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC)C1CCCOC1	REAL300020268729	0	43	-1.0	-44.14	332.82	4.04	-40.10
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC)C1CCCOC1	REAL300020268729	1	43	-1.0	-44.14	332.88	4.08	-40.06
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC)C1CCCOC1	REAL300020268730	0	50	-1.0	-43.72	378.63	7.68	-36.04
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC)C1CCCOC1	REAL300020268730	1	50	-1.0	-43.73	378.91	7.68	-36.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020268731	0	51	-1.0	-41.44	422.80	9.74	-31.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020268731	1	51	-1.0	-41.44	422.85	9.75	-31.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020268732	0	48	-1.0	-44.75	393.67	8.60	-36.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020268732	1	48	-1.0	-44.76	393.72	8.63	-36.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020268733	0	50	-1.0	-40.18	387.85	7.29	-32.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020268733	1	50	-1.0	-40.16	387.91	7.30	-32.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020268734	0	47	-1.0	-42.27	367.84	6.34	-35.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020268734	1	47	-1.0	-42.24	367.90	6.37	-35.87
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020268735	0	54	-1.0	-43.21	405.49	9.11	-34.10
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020268735	1	54	-1.0	-43.10	405.59	9.12	-33.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020268736	0	49	-1.0	-41.37	387.43	6.77	-34.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020268736	1	49	-1.0	-41.38	387.49	6.78	-34.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020268737	0	46	-1.0	-42.91	369.68	6.10	-36.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020268737	1	46	-1.0	-42.91	369.74	6.12	-36.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020268738	0	53	-1.0	-42.95	412.81	8.69	-34.26
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020268738	1	53	-1.0	-42.92	412.85	8.67	-34.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020268739	0	49	-1.0	-41.38	361.55	8.25	-33.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020268739	1	49	-1.0	-41.40	361.60	8.26	-33.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020268740	0	46	-1.0	-41.82	354.64	8.76	-33.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020268740	1	46	-1.0	-41.79	354.58	8.74	-33.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020268741	0	45	-1.0	-46.92	361.95	3.31	-43.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020268741	1	45	-1.0	-46.92	362.01	3.32	-43.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020268742	0	42	-1.0	-49.17	344.45	2.66	-46.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020268742	1	42	-1.0	-49.14	344.51	2.68	-46.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020268743	0	49	-1.0	-50.22	390.25	5.62	-44.60
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020268743	1	49	-1.0	-50.13	390.29	5.61	-44.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020268744	0	49	-1.0	-44.52	397.87	8.95	-35.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020268744	1	49	-1.0	-44.54	397.92	8.96	-35.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020268745	0	46	-1.0	-44.73	382.29	8.02	-36.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020268745	1	46	-1.0	-44.73	382.34	8.05	-36.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020268746	0	43	-1.0	-40.54	366.83	7.64	-32.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020268746	1	43	-1.0	-40.55	366.89	7.66	-32.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020268747	0	40	-1.0	-42.39	344.95	7.04	-35.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020268747	1	40	-1.0	-42.38	345.00	7.05	-35.33
CCN(CCSC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020268748	0	42	-1.0	-42.28	348.03	6.16	-36.12
CCN(CCSC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020268748	1	42	-1.0	-42.31	348.09	6.17	-36.14
CCN(CCSC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020268749	0	46	-1.0	-44.42	373.55	7.98	-36.44
CCN(CCSC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020268749	1	46	-1.0	-44.39	373.60	7.97	-36.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020268750	0	48	-1.0	-47.75	363.66	5.34	-42.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020268750	1	48	-1.0	-47.78	363.72	5.35	-42.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020268751	0	45	-1.0	-47.84	356.62	4.33	-43.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020268751	1	45	-1.0	-47.85	356.68	4.36	-43.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020268752	0	52	-1.0	-47.65	392.53	6.77	-40.88
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020268752	1	52	-1.0	-47.62	392.60	6.79	-40.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=C(F)C=CC=C2Cl)C1	REAL300020268753	0	44	-1.0	-45.77	383.06	7.27	-38.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=C(F)C=CC=C2Cl)C1	REAL300020268753	1	44	-1.0	-45.77	383.11	7.29	-38.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020268754	0	49	-1.0	-42.02	387.23	9.20	-32.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020268754	1	49	-1.0	-41.97	387.29	9.21	-32.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020268755	0	46	-1.0	-44.66	365.91	8.42	-36.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020268755	1	46	-1.0	-44.68	365.97	8.44	-36.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020268756	0	43	-1.0	-40.39	355.52	7.70	-32.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020268756	1	43	-1.0	-40.39	355.58	7.71	-32.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020268757	0	40	-1.0	-43.08	333.82	7.10	-35.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020268757	1	40	-1.0	-43.06	333.88	7.13	-35.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020268758	0	47	-1.0	-42.62	385.44	9.83	-32.79
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020268758	1	47	-1.0	-42.59	385.43	9.80	-32.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020268759	0	40	-1.0	-43.01	328.54	4.02	-38.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020268759	1	40	-1.0	-43.04	328.60	4.04	-39.00
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020268760	0	44	-1.0	-45.00	353.94	6.21	-38.79
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020268760	1	44	-1.0	-44.97	354.03	6.19	-38.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C3CC3C)=NO2)CC1	REAL300020268761	0	54	-1.0	-47.33	439.26	7.43	-39.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C3CC3C)=NO2)CC1	REAL300020268761	1	54	-1.0	-47.32	439.32	7.45	-39.87
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020268762	0	49	-1.0	-42.26	393.68	9.83	-32.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020268762	1	49	-1.0	-42.27	393.74	9.85	-32.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020268763	0	46	-1.0	-42.82	382.93	9.07	-33.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020268763	1	46	-1.0	-42.82	382.99	9.09	-33.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020268764	0	55	-1.0	-39.68	409.64	9.86	-29.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020268764	1	55	-1.0	-39.61	409.70	9.88	-29.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020268765	0	52	-1.0	-41.82	392.62	9.00	-32.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020268765	1	52	-1.0	-41.87	392.68	9.02	-32.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020268766	0	48	-1.0	-50.78	384.99	9.85	-40.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020268766	1	48	-1.0	-50.78	384.94	9.84	-40.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020268767	0	45	-1.0	-53.60	363.49	9.08	-44.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020268767	1	45	-1.0	-53.56	363.44	9.05	-44.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020268768	0	46	-1.0	-45.95	378.11	5.75	-40.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020268768	1	46	-1.0	-45.94	378.16	5.76	-40.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020268769	0	43	-1.0	-46.19	358.55	4.89	-41.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020268769	1	43	-1.0	-46.17	358.60	4.90	-41.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020268770	0	47	-1.0	-40.99	390.52	9.66	-31.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020268770	1	47	-1.0	-40.98	390.57	9.67	-31.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020268771	0	44	-1.0	-41.92	372.40	8.85	-33.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020268771	1	44	-1.0	-41.89	372.46	8.88	-33.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300020268772	0	50	-1.0	-42.63	410.90	10.31	-32.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300020268772	1	50	-1.0	-42.62	410.96	10.33	-32.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300020268773	0	47	-1.0	-48.33	385.47	9.30	-39.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300020268773	1	47	-1.0	-48.32	385.53	9.32	-39.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C(F)F)C1	REAL300020268774	0	51	-1.0	-44.36	410.27	8.08	-36.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C(F)F)C1	REAL300020268774	1	51	-1.0	-44.34	410.33	8.10	-36.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020268775	0	50	-1.0	-41.73	398.19	8.44	-33.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020268775	1	50	-1.0	-41.77	398.24	8.46	-33.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020268776	0	47	-1.0	-44.75	373.78	7.55	-37.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020268776	1	47	-1.0	-44.75	373.84	7.58	-37.17
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020268777	0	49	-1.0	-44.57	400.28	8.24	-36.33
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020268777	1	49	-1.0	-44.60	400.34	8.25	-36.35
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020268778	0	46	-1.0	-44.83	382.18	7.44	-37.39
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020268778	1	46	-1.0	-44.83	382.24	7.46	-37.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020268779	0	45	-1.0	-48.35	360.17	5.34	-43.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020268779	1	45	-1.0	-48.36	360.23	5.35	-43.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020268780	0	42	-1.0	-48.04	329.62	4.46	-43.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020268780	1	42	-1.0	-48.02	329.67	4.48	-43.54
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020268781	0	49	-1.0	-50.35	388.55	7.31	-43.04
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020268781	1	49	-1.0	-50.29	388.61	7.30	-42.99
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020268782	0	44	-1.0	-42.40	343.62	8.69	-33.71
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020268782	1	44	-1.0	-42.37	343.67	8.69	-33.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020268783	0	47	-1.0	-40.58	362.70	5.58	-35.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020268783	1	47	-1.0	-40.57	362.76	5.60	-34.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020268784	0	44	-1.0	-42.96	340.79	5.00	-37.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020268784	1	44	-1.0	-42.96	340.86	5.02	-37.94
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020268785	0	51	-1.0	-42.43	396.30	7.23	-35.20
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020268785	1	51	-1.0	-42.39	396.33	7.22	-35.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020268786	0	49	-1.0	-41.73	379.42	3.70	-38.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020268786	1	49	-1.0	-41.73	379.48	3.71	-38.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020268786	1	50	0.0	-69.00	373.98	5.93	-63.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020268787	0	46	-1.0	-42.94	363.66	3.06	-39.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020268787	1	46	-1.0	-42.92	363.72	3.09	-39.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020268787	1	47	0.0	-66.05	360.82	5.29	-60.76
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020268788	0	53	-1.0	-43.04	409.65	5.94	-37.10
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020268788	1	53	-1.0	-43.02	409.68	5.94	-37.08
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020268788	1	54	0.0	-72.92	413.15	7.96	-64.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020268789	0	52	-1.0	-40.86	391.23	9.23	-31.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020268789	1	52	-1.0	-40.86	391.29	9.24	-31.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020268790	0	49	-1.0	-42.99	369.75	8.44	-34.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020268790	1	49	-1.0	-42.99	369.80	8.47	-34.52
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020268791	0	56	-1.0	-42.56	419.65	11.20	-31.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020268791	1	56	-1.0	-42.54	419.69	11.19	-31.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020268792	0	49	-1.0	-43.88	406.53	2.93	-40.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020268792	1	49	-1.0	-43.85	406.59	2.95	-40.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020268793	0	46	-1.0	-45.04	384.33	2.19	-42.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020268793	1	46	-1.0	-45.04	384.39	2.21	-42.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC(C1=CC=CC=C1)=N2	REAL300020268794	0	46	-1.0	-49.24	386.66	7.80	-41.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC(C1=CC=CC=C1)=N2	REAL300020268794	1	46	-1.0	-49.20	386.61	7.78	-41.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020268795	0	58	0.0	-71.21	437.13	10.73	-60.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020268795	1	58	0.0	-70.93	441.06	10.93	-60.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020268795	1	58	0.0	-71.25	437.19	10.75	-60.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020268795	1	58	0.0	-70.93	441.12	10.94	-59.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020268796	0	55	0.0	-68.93	424.58	10.26	-58.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020268796	1	55	0.0	-68.31	415.01	10.21	-58.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CCC2=CC=CC=C2)C1	REAL300020268796	1	55	0.0	-68.94	424.64	10.28	-58.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1	REAL300020268796	1	55	0.0	-68.29	415.07	10.24	-58.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020268797	0	46	-1.0	-42.74	364.58	7.96	-34.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020268797	1	46	-1.0	-42.74	364.64	7.97	-34.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020268798	0	43	-1.0	-45.15	343.40	7.21	-37.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020268798	1	43	-1.0	-45.13	343.34	7.18	-37.95
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020268799	0	50	-1.0	-44.09	393.35	10.25	-33.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020268799	1	50	-1.0	-44.08	393.38	10.24	-33.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020268800	0	52	-1.0	-40.32	408.04	10.30	-30.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020268800	1	52	-1.0	-40.33	408.09	10.31	-30.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020268801	0	49	-1.0	-43.04	386.59	9.53	-33.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020268801	1	49	-1.0	-43.06	386.53	9.51	-33.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(Cl)=C2C1	REAL300020268802	0	43	-1.0	-42.65	372.57	8.15	-34.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(Cl)=C2C1	REAL300020268802	1	43	-1.0	-42.67	372.62	8.17	-34.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(Cl)=C2C1	REAL300020268803	0	40	-1.0	-43.11	357.85	8.41	-34.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(Cl)=C2C1	REAL300020268803	1	40	-1.0	-43.11	357.91	8.42	-34.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCF)CCOC	REAL300020268804	0	42	-1.0	-41.67	340.46	3.85	-37.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCF)CCOC	REAL300020268804	1	42	-1.0	-41.70	340.51	3.86	-37.84
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCF)CCOC	REAL300020268805	0	46	-1.0	-42.14	363.91	6.36	-35.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCF)CCOC	REAL300020268805	1	46	-1.0	-42.16	363.95	6.36	-35.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020268806	0	50	-1.0	-43.77	407.57	8.94	-34.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020268806	1	50	-1.0	-43.76	407.63	8.95	-34.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020268807	0	47	-1.0	-48.86	374.81	7.47	-41.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020268807	1	47	-1.0	-48.84	374.75	7.45	-41.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020268808	0	47	-1.0	-43.52	371.39	4.47	-39.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020268808	1	47	-1.0	-43.54	371.44	4.49	-39.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020268809	0	44	-1.0	-44.91	349.26	3.91	-41.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020268809	1	44	-1.0	-44.85	349.31	3.91	-40.94
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020268810	0	51	-1.0	-46.29	398.71	6.63	-39.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020268810	1	51	-1.0	-46.32	398.75	6.62	-39.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020268811	0	44	-1.0	-42.22	353.87	3.20	-39.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020268811	1	44	-1.0	-42.24	353.93	3.21	-39.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020268812	0	41	-1.0	-43.58	332.71	3.41	-40.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020268812	1	41	-1.0	-43.60	332.77	3.43	-40.17
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1COCCO1	REAL300020268813	0	48	-1.0	-45.49	378.06	6.04	-39.45
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1COCCO1	REAL300020268813	1	48	-1.0	-45.50	378.07	6.03	-39.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020268814	0	44	-1.0	-39.90	359.07	5.65	-34.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020268814	1	44	-1.0	-39.97	359.13	5.67	-34.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020268815	0	41	-1.0	-42.05	334.25	5.09	-36.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020268815	1	41	-1.0	-42.05	334.19	5.06	-36.99
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CCCOC1	REAL300020268816	0	48	-1.0	-42.51	381.33	7.81	-34.70
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CCCOC1	REAL300020268816	1	48	-1.0	-42.48	381.37	7.80	-34.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C(F)=C1	REAL300020268817	0	50	-1.0	-43.88	391.04	7.24	-36.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C(F)=C1	REAL300020268817	1	50	-1.0	-43.91	391.10	7.26	-36.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C(F)=C1	REAL300020268818	0	47	-1.0	-46.50	386.76	7.96	-38.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C(F)=C1	REAL300020268818	1	47	-1.0	-46.51	386.81	7.97	-38.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020268819	0	52	-1.0	-39.52	381.26	8.53	-30.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020268819	1	52	-1.0	-39.52	381.32	8.55	-30.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020268820	0	49	-1.0	-42.04	363.45	7.86	-34.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020268820	1	49	-1.0	-42.04	363.51	7.89	-34.15
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020268821	0	56	-1.0	-41.85	407.25	10.82	-31.03
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020268821	1	56	-1.0	-41.84	407.28	10.81	-31.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C3=CC=CC=C3)C(C1)C2(F)F	REAL300020268822	0	47	-1.0	-44.08	384.85	9.45	-34.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C3=CC=CC=C3)C(C1)C2(F)F	REAL300020268822	1	47	-1.0	-44.07	384.91	9.47	-34.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020268823	0	47	-1.0	-40.99	351.82	5.02	-35.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020268823	1	47	-1.0	-41.01	351.88	5.03	-35.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020268824	0	44	-1.0	-43.19	329.72	4.48	-38.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020268824	1	44	-1.0	-43.19	329.78	4.50	-38.69
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020268825	0	51	-1.0	-44.92	388.98	7.36	-37.56
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020268825	1	51	-1.0	-44.93	389.02	7.35	-37.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020268826	0	44	-1.0	-43.49	351.19	0.94	-42.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020268826	1	44	-1.0	-43.49	351.25	0.95	-42.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020268827	0	41	-1.0	-46.17	333.40	0.29	-45.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020268827	1	41	-1.0	-46.17	333.46	0.31	-45.86
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(O)(CO)CC1	REAL300020268828	0	48	-1.0	-45.24	381.19	3.06	-42.18
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(O)(CO)CC1	REAL300020268828	1	48	-1.0	-45.19	381.24	3.05	-42.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020268829	0	49	-1.0	-39.36	384.22	8.78	-30.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020268829	1	49	-1.0	-39.39	384.28	8.79	-30.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020268830	0	46	-1.0	-41.83	362.40	7.98	-33.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020268830	1	46	-1.0	-41.85	362.46	8.00	-33.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020268831	0	53	-1.0	-41.93	405.13	10.88	-31.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020268831	1	53	-1.0	-41.90	405.15	10.87	-31.03
C=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020268832	0	46	-1.0	-39.75	368.21	8.01	-31.74
C=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020268832	1	46	-1.0	-39.72	368.27	8.03	-31.69
C=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020268833	0	43	-1.0	-41.92	347.06	7.20	-34.72
C=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020268833	1	43	-1.0	-41.96	347.01	7.18	-34.78
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020268834	0	50	-1.0	-41.42	395.55	9.96	-31.46
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020268834	1	50	-1.0	-41.40	395.59	9.94	-31.46
CCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC)=N1	REAL300020268835	0	39	-1.0	-44.44	331.10	8.13	-36.31
CCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC)=N1	REAL300020268835	1	39	-1.0	-44.42	331.04	8.11	-36.31
CCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)=N1	REAL300020268836	0	43	-1.0	-46.43	359.43	10.08	-36.35
CCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)=N1	REAL300020268836	1	43	-1.0	-46.42	359.37	10.08	-36.34
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020268837	0	44	-1.0	-40.03	362.37	8.01	-32.02
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020268837	1	44	-1.0	-40.04	362.43	8.02	-32.02
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020268838	0	41	-1.0	-42.26	341.22	7.20	-35.06
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020268838	1	41	-1.0	-42.30	341.16	7.17	-35.13
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020268839	0	48	-1.0	-42.06	389.71	9.95	-32.11
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020268839	1	48	-1.0	-41.98	389.75	9.93	-32.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020268840	0	57	-1.0	-40.55	419.67	8.40	-32.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020268840	1	57	-1.0	-40.58	419.73	8.41	-32.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020268841	0	54	-1.0	-44.25	386.41	8.39	-35.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020268841	1	54	-1.0	-44.27	386.47	8.42	-35.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC(C)(C)C)CC1	REAL300020268842	0	57	-1.0	-44.98	439.03	9.65	-35.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC(C)(C)C)CC1	REAL300020268842	1	57	-1.0	-44.96	439.09	9.68	-35.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1	REAL300020268843	0	53	-1.0	-45.93	408.57	6.17	-39.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1	REAL300020268843	1	53	-1.0	-45.95	408.63	6.20	-39.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020268844	0	54	-1.0	-41.10	386.05	8.13	-32.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020268844	1	54	-1.0	-41.12	386.11	8.15	-32.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020268845	0	51	-1.0	-42.09	367.83	8.65	-33.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020268845	1	51	-1.0	-42.08	367.89	8.68	-33.40
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020268846	0	58	-1.0	-42.99	415.88	10.24	-32.75
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020268846	1	58	-1.0	-43.06	416.42	10.31	-32.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020268847	0	52	-1.0	-42.18	397.71	11.61	-30.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020268847	1	52	-1.0	-42.20	397.76	11.62	-30.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020268848	0	49	-1.0	-46.84	343.54	7.58	-39.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020268848	1	49	-1.0	-46.78	343.48	7.57	-39.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020268849	0	45	-1.0	-45.91	369.67	5.77	-40.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020268849	1	45	-1.0	-45.90	369.61	5.75	-40.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020268850	0	42	-1.0	-54.29	345.19	5.13	-49.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020268850	1	42	-1.0	-54.32	345.13	5.10	-49.22
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020268851	0	49	-1.0	-52.55	390.68	7.64	-44.91
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020268851	1	49	-1.0	-52.58	390.65	7.65	-44.93
CCOC(=O)C1(F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC12CCC2	REAL300020268852	0	52	-1.0	-42.00	406.73	8.29	-33.71
CCOC(=O)C1(F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC12CCC2	REAL300020268852	1	52	-1.0	-42.01	406.79	8.30	-33.71
CCOC(=O)C1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC12CCC2	REAL300020268853	0	49	-1.0	-45.29	384.64	7.75	-37.54
CCOC(=O)C1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC12CCC2	REAL300020268853	1	49	-1.0	-45.34	384.69	7.78	-37.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020268854	0	52	-1.0	-41.69	368.80	7.58	-34.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020268854	1	52	-1.0	-41.71	368.85	7.60	-34.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020268855	0	49	-1.0	-44.40	344.32	6.82	-37.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020268855	1	49	-1.0	-44.39	344.27	6.79	-37.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020268856	0	55	-1.0	-41.03	427.08	7.94	-33.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020268856	1	55	-1.0	-41.03	427.14	7.95	-33.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020268857	0	52	-1.0	-44.26	405.83	7.13	-37.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020268857	1	52	-1.0	-44.28	405.89	7.15	-37.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020268858	0	53	-1.0	-43.74	393.79	6.35	-37.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020268858	1	53	-1.0	-43.76	393.85	6.37	-37.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020268859	0	50	-1.0	-47.01	377.12	5.70	-41.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020268859	1	50	-1.0	-47.00	377.18	5.73	-41.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020268860	0	43	-1.0	-43.06	355.94	7.18	-35.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020268860	1	43	-1.0	-43.04	356.00	7.20	-35.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020268861	0	40	-1.0	-45.48	334.73	6.35	-39.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020268861	1	40	-1.0	-45.43	334.79	6.37	-39.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020268862	0	47	-1.0	-45.55	383.28	9.13	-36.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020268862	1	47	-1.0	-45.59	383.33	9.11	-36.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020268863	0	52	-1.0	-39.42	386.43	8.98	-30.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020268863	1	52	-1.0	-39.45	386.48	8.99	-30.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020268864	0	49	-1.0	-41.28	361.01	9.17	-32.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020268864	1	49	-1.0	-41.26	361.07	9.20	-32.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020268865	0	56	-1.0	-41.42	413.60	11.30	-30.12
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020268865	1	56	-1.0	-41.32	413.63	11.29	-30.03
CCC(C)N(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020268866	0	48	-1.0	-41.67	373.65	8.93	-32.74
CCC(C)N(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020268866	1	48	-1.0	-41.64	373.73	8.93	-32.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020268867	0	50	-1.0	-40.84	357.62	8.02	-32.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020268867	1	50	-1.0	-40.80	357.68	8.03	-32.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020268868	0	47	-1.0	-43.56	343.54	7.53	-36.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020268868	1	47	-1.0	-43.58	343.59	7.55	-36.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020268869	0	54	-1.0	-42.35	393.37	10.29	-32.06
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020268869	1	54	-1.0	-42.33	393.43	10.28	-32.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020268870	0	45	-1.0	-43.26	363.47	5.24	-38.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020268870	1	45	-1.0	-43.30	363.52	5.25	-38.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020268871	0	42	-1.0	-46.48	339.43	4.01	-42.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020268871	1	42	-1.0	-46.46	339.38	3.99	-42.47
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020268872	0	49	-1.0	-47.00	380.53	6.73	-40.27
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020268872	1	49	-1.0	-46.99	380.55	6.71	-40.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020268873	0	46	-1.0	-40.63	377.48	7.88	-32.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020268873	1	46	-1.0	-40.66	377.54	7.90	-32.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020268874	0	43	-1.0	-42.92	355.97	7.10	-35.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020268874	1	43	-1.0	-42.92	356.03	7.12	-35.80
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020268875	0	50	-1.0	-42.59	404.51	9.89	-32.70
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020268875	1	50	-1.0	-42.61	404.56	9.88	-32.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020268876	0	47	-1.0	-40.52	365.51	6.54	-33.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020268876	1	47	-1.0	-40.53	365.57	6.55	-33.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020268877	0	44	-1.0	-42.51	347.68	5.85	-36.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020268877	1	44	-1.0	-42.51	347.74	5.88	-36.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020268878	0	51	-1.0	-43.07	391.43	8.79	-34.28
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020268878	1	51	-1.0	-43.07	391.46	8.78	-34.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020268879	0	50	-1.0	-42.41	402.06	8.77	-33.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020268879	1	50	-1.0	-42.41	402.12	8.78	-33.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020268880	0	47	-1.0	-46.25	375.87	7.90	-38.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020268880	1	47	-1.0	-46.28	375.93	7.93	-38.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020268881	0	51	-1.0	-40.17	394.95	8.48	-31.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020268881	1	51	-1.0	-40.18	395.00	8.49	-31.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020268882	0	48	-1.0	-43.74	358.52	7.45	-36.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020268882	1	48	-1.0	-43.73	358.57	7.47	-36.26
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020268883	0	55	-1.0	-42.36	407.61	10.18	-32.18
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020268883	1	55	-1.0	-42.36	407.65	10.18	-32.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCN(CC3=CC=CC=C3)[C@H]2C1	REAL300020268884	0	53	-1.0	-45.29	405.47	6.06	-39.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCN(CC3=CC=CC=C3)[C@H]2C1	REAL300020268884	1	53	-1.0	-45.30	405.52	6.09	-39.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1	REAL300020268885	0	42	-1.0	-48.51	360.52	2.87	-45.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1	REAL300020268885	1	42	-1.0	-48.54	360.58	2.89	-45.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1COC(C)(C)C1	REAL300020268886	0	56	-1.0	-42.02	435.75	8.01	-34.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1COC(C)(C)C1	REAL300020268886	1	56	-1.0	-41.97	435.80	8.02	-33.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1COC(C)(C)C1	REAL300020268887	0	53	-1.0	-44.44	409.64	7.44	-37.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1COC(C)(C)C1	REAL300020268887	1	53	-1.0	-44.43	409.69	7.47	-36.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020268888	0	46	-1.0	-46.57	396.74	6.72	-39.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020268888	1	46	-1.0	-46.56	396.79	6.74	-39.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020268889	0	43	-1.0	-48.54	375.31	6.16	-42.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020268889	1	43	-1.0	-48.54	375.36	6.19	-42.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(CNC(=O)OC(C)(C)C)C2	REAL300020268890	0	54	-1.0	-52.73	418.98	5.37	-47.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(CNC(=O)OC(C)(C)C)C2	REAL300020268890	1	54	-1.0	-52.74	419.02	5.39	-47.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020268891	0	46	-1.0	-43.82	378.67	6.36	-37.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020268891	1	46	-1.0	-43.87	378.72	6.38	-37.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020268892	0	43	-1.0	-45.77	353.07	5.64	-40.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020268892	1	43	-1.0	-45.78	353.12	5.65	-40.13
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020268893	0	50	-1.0	-46.65	396.30	8.19	-38.46
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020268893	1	50	-1.0	-46.58	396.32	8.18	-38.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020268894	0	51	-1.0	-39.78	377.24	8.43	-31.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020268894	1	51	-1.0	-39.75	377.30	8.45	-31.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020268895	0	48	-1.0	-42.20	355.29	7.86	-34.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020268895	1	48	-1.0	-42.20	355.35	7.88	-34.32
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020268896	0	55	-1.0	-42.20	404.49	10.69	-31.51
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020268896	1	55	-1.0	-42.21	404.56	10.67	-31.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020268897	0	47	-1.0	-49.35	380.96	3.30	-46.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020268897	1	47	-1.0	-49.34	381.01	3.32	-46.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020268898	0	44	-1.0	-45.15	358.95	2.42	-42.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020268898	1	44	-1.0	-45.18	359.01	2.44	-42.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020268899	0	46	-1.0	-45.03	371.24	6.91	-38.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020268899	1	46	-1.0	-45.06	371.18	6.90	-38.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020268900	0	43	-1.0	-45.15	353.46	6.25	-38.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020268900	1	43	-1.0	-45.17	353.41	6.22	-38.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020268901	0	50	-1.0	-48.56	391.74	8.87	-39.69
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020268901	1	50	-1.0	-48.55	391.72	8.88	-39.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020268902	0	45	-1.0	-41.51	358.14	7.42	-34.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020268902	1	45	-1.0	-41.54	358.19	7.43	-34.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020268903	0	42	-1.0	-44.30	340.37	6.75	-37.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020268903	1	42	-1.0	-44.31	340.43	6.77	-37.54
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CCF)C1	REAL300020268904	0	49	-1.0	-43.46	389.58	9.71	-33.75
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CCF)C1	REAL300020268904	1	49	-1.0	-43.43	389.63	9.71	-33.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCOC)CC1	REAL300020268905	0	52	-1.0	-41.77	405.33	7.45	-34.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCOC)CC1	REAL300020268905	1	52	-1.0	-41.75	405.38	7.46	-34.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCOC)CC1	REAL300020268906	0	49	-1.0	-44.14	383.83	6.66	-37.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCOC)CC1	REAL300020268906	1	49	-1.0	-44.13	383.89	6.69	-37.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCCOC)CC1	REAL300020268907	0	56	-1.0	-43.49	434.32	9.31	-34.18
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCCOC)CC1	REAL300020268907	1	56	-1.0	-43.40	434.36	9.30	-34.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020268908	0	44	-1.0	-42.72	350.18	5.04	-37.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020268908	1	44	-1.0	-42.67	350.24	5.06	-37.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020268909	0	41	-1.0	-46.74	313.98	4.16	-42.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020268909	1	41	-1.0	-46.73	314.04	4.19	-42.54
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020268910	0	48	-1.0	-44.63	375.33	7.00	-37.63
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020268910	1	48	-1.0	-44.58	375.36	6.99	-37.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020268911	0	53	-1.0	-42.94	410.31	8.43	-34.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020268911	1	53	-1.0	-42.96	410.37	8.44	-34.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020268912	0	50	-1.0	-44.63	383.49	7.75	-36.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020268912	1	50	-1.0	-44.58	383.54	7.78	-36.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020268913	0	46	-1.0	-39.48	362.67	6.04	-33.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020268913	1	46	-1.0	-39.48	362.73	6.06	-33.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020268914	0	43	-1.0	-41.64	341.70	5.28	-36.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020268914	1	43	-1.0	-41.66	341.76	5.30	-36.36
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020268915	0	50	-1.0	-42.62	376.63	7.94	-34.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020268915	1	50	-1.0	-42.62	376.66	7.93	-34.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300020268916	0	58	0.0	-64.28	434.87	10.53	-53.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300020268916	1	58	0.0	-63.57	434.75	10.49	-53.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300020268916	1	58	0.0	-64.29	434.93	10.56	-53.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C(C)C)C1	REAL300020268916	1	58	0.0	-63.53	434.81	10.51	-53.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)C3=CC=CC=C3O2)C1	REAL300020268917	0	50	-1.0	-51.63	400.14	8.17	-43.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)C3=CC=CC=C3O2)C1	REAL300020268917	1	50	-1.0	-51.66	400.21	8.18	-43.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(Br)S2)C1	REAL300020268918	0	37	-1.0	-41.38	338.68	7.50	-33.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(Br)S2)C1	REAL300020268918	1	37	-1.0	-41.42	338.74	7.52	-33.90
CCCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020268919	0	48	-1.0	-43.25	377.83	9.05	-34.20
CCCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020268919	1	48	-1.0	-43.26	377.88	9.07	-34.19
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020268920	0	45	-1.0	-45.92	365.84	8.22	-37.70
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020268920	1	45	-1.0	-45.91	365.78	8.20	-37.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020268921	0	42	-1.0	-42.17	337.47	6.87	-35.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020268921	1	42	-1.0	-42.18	337.53	6.88	-35.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020268922	0	39	-1.0	-44.54	312.19	6.19	-38.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020268922	1	39	-1.0	-44.54	312.25	6.20	-38.34
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)CC1	REAL300020268923	0	46	-1.0	-44.02	358.89	9.39	-34.63
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)CC1	REAL300020268923	1	46	-1.0	-44.02	358.93	9.38	-34.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020268924	0	49	-1.0	-45.02	405.33	2.06	-42.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020268924	1	49	-1.0	-45.02	405.27	2.05	-42.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020268925	0	46	-1.0	-46.55	383.49	1.45	-45.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020268925	1	46	-1.0	-46.55	383.43	1.44	-45.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020268926	0	47	-1.0	-42.84	386.12	6.82	-36.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020268926	1	47	-1.0	-42.78	386.18	6.84	-35.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020268927	0	44	-1.0	-44.32	378.28	6.11	-38.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020268927	1	44	-1.0	-44.34	378.33	6.14	-38.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020268928	0	41	-1.0	-48.10	335.40	4.22	-43.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020268928	1	41	-1.0	-48.12	335.46	4.24	-43.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020268929	0	38	-1.0	-49.83	323.81	3.55	-46.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020268929	1	38	-1.0	-49.78	323.75	3.54	-46.24
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020268930	0	45	-1.0	-50.65	366.88	6.29	-44.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020268930	1	45	-1.0	-50.60	366.90	6.29	-44.31
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020268931	0	48	-1.0	-40.31	370.32	6.99	-33.32
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020268931	1	48	-1.0	-40.28	370.37	7.00	-33.28
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020268932	0	45	-1.0	-44.09	337.80	5.87	-38.22
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020268932	1	45	-1.0	-44.08	337.74	5.85	-38.23
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020268933	0	52	-1.0	-41.90	398.92	9.08	-32.82
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020268933	1	52	-1.0	-41.83	398.97	9.07	-32.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020268934	0	53	-1.0	-39.83	405.95	7.90	-31.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020268934	1	53	-1.0	-39.86	406.01	7.92	-31.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020268935	0	50	-1.0	-42.67	381.05	7.16	-35.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020268935	1	50	-1.0	-42.64	381.11	7.17	-35.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020268936	0	53	-1.0	-42.32	407.18	7.96	-34.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020268936	1	53	-1.0	-42.33	407.23	7.97	-34.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020268937	0	50	-1.0	-43.73	386.23	6.98	-36.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020268937	1	50	-1.0	-43.75	386.29	7.00	-36.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020268938	0	41	-1.0	-42.24	334.09	4.28	-37.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020268938	1	41	-1.0	-42.27	334.14	4.29	-37.98
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020268939	0	45	-1.0	-44.04	359.22	6.10	-37.94
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020268939	1	45	-1.0	-44.03	359.23	6.09	-37.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020268940	0	46	-1.0	-50.91	364.91	5.38	-45.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020268940	1	46	-1.0	-50.87	364.96	5.40	-45.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020268941	0	43	-1.0	-54.70	335.17	4.01	-50.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020268941	1	43	-1.0	-54.68	335.11	3.98	-50.70
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020268942	0	50	-1.0	-52.88	390.41	7.17	-45.71
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020268942	1	50	-1.0	-52.94	390.44	7.16	-45.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020268943	0	41	-1.0	-39.83	327.43	6.66	-33.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020268943	1	41	-1.0	-39.90	327.49	6.67	-33.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020268944	0	38	-1.0	-42.84	312.97	6.82	-36.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020268944	1	38	-1.0	-42.81	312.91	6.79	-36.02
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020268945	0	45	-1.0	-42.41	366.05	9.35	-33.06
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020268945	1	45	-1.0	-42.39	366.08	9.34	-33.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020268946	0	47	-1.0	-48.90	384.31	2.26	-46.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020268946	1	47	-1.0	-48.87	384.37	2.28	-46.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020268947	0	44	-1.0	-50.79	357.37	1.58	-49.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020268947	1	44	-1.0	-50.83	357.43	1.61	-49.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020268948	0	47	-1.0	-49.46	381.05	2.67	-46.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020268948	1	47	-1.0	-49.40	381.10	2.69	-46.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020268949	0	44	-1.0	-51.51	354.14	2.00	-49.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020268949	1	44	-1.0	-51.51	354.20	2.02	-49.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020268950	0	48	-1.0	-43.97	402.05	4.34	-39.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020268950	1	48	-1.0	-43.98	402.11	4.36	-39.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020268951	0	45	-1.0	-47.49	374.29	3.83	-43.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020268951	1	45	-1.0	-47.50	374.34	3.85	-43.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020268952	0	49	-1.0	-48.39	403.09	1.71	-46.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020268952	1	49	-1.0	-48.40	403.15	1.72	-46.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020268953	0	46	-1.0	-51.01	381.58	0.92	-50.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020268953	1	46	-1.0	-51.01	381.64	0.95	-50.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020268954	0	47	-1.0	-40.99	365.65	6.99	-34.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020268954	1	47	-1.0	-40.94	365.71	7.01	-33.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020268955	0	44	-1.0	-44.34	349.06	6.38	-37.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020268955	1	44	-1.0	-44.33	349.00	6.36	-37.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020268956	0	44	-1.0	-48.11	359.40	2.53	-45.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020268956	1	44	-1.0	-48.09	359.46	2.54	-45.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020268957	0	41	-1.0	-43.46	334.29	1.65	-41.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020268957	1	41	-1.0	-43.44	334.35	1.68	-41.76
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020268958	0	48	-1.0	-50.89	387.30	4.49	-46.40
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020268958	1	48	-1.0	-50.86	387.29	4.47	-46.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020268959	0	45	-1.0	-47.46	359.34	5.32	-42.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020268959	1	45	-1.0	-47.45	359.40	5.34	-42.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020268960	0	42	-1.0	-49.74	347.64	3.92	-45.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020268960	1	42	-1.0	-49.71	347.70	3.93	-45.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C(C)C1	REAL300020268961	0	57	-1.0	-40.73	441.33	9.47	-31.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C(C)C1	REAL300020268961	1	57	-1.0	-40.77	441.39	9.48	-31.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C(C)C1	REAL300020268962	0	54	-1.0	-41.85	415.58	8.76	-33.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C(C)C1	REAL300020268962	1	54	-1.0	-41.83	415.64	8.79	-33.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020268963	0	43	-1.0	-40.50	350.18	5.05	-35.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020268963	1	43	-1.0	-40.50	350.24	5.07	-35.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020268964	0	40	-1.0	-43.01	323.10	4.40	-38.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020268964	1	40	-1.0	-43.00	323.15	4.42	-38.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020268965	0	46	-1.0	-44.17	367.78	5.15	-39.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020268965	1	46	-1.0	-44.18	367.84	5.16	-39.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020268966	0	43	-1.0	-44.87	340.94	4.47	-40.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020268966	1	43	-1.0	-44.90	340.99	4.49	-40.41
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020268967	0	50	-1.0	-46.18	395.58	7.11	-39.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020268967	1	50	-1.0	-46.14	395.61	7.11	-39.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020268968	0	49	-1.0	-46.30	393.83	8.53	-37.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020268968	1	49	-1.0	-46.29	393.89	8.55	-37.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020268969	0	46	-1.0	-49.22	373.06	7.95	-41.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020268969	1	46	-1.0	-49.14	373.00	7.93	-41.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020268970	0	46	-1.0	-46.17	379.67	5.10	-41.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020268970	1	46	-1.0	-46.21	379.73	5.11	-41.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020268971	0	43	-1.0	-46.99	362.37	4.42	-42.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020268971	1	43	-1.0	-46.97	362.43	4.44	-42.53
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020268972	0	50	-1.0	-47.83	412.12	7.19	-40.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020268972	1	50	-1.0	-47.78	412.16	7.18	-40.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020268973	0	49	-1.0	-44.21	385.46	1.59	-42.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020268973	1	49	-1.0	-44.20	385.51	1.61	-42.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020268974	0	46	-1.0	-46.22	367.17	0.91	-45.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020268974	1	46	-1.0	-46.23	367.23	0.94	-45.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020268975	0	43	-1.0	-43.31	334.97	3.69	-39.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020268975	1	43	-1.0	-43.33	335.03	3.70	-39.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1(C)COC1	REAL300020268976	0	47	-1.0	-43.07	370.54	7.23	-35.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1(C)COC1	REAL300020268976	1	47	-1.0	-43.09	370.59	7.22	-35.87
CCC(CC)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020268977	0	53	-1.0	-39.33	410.15	8.94	-30.39
CCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020268977	1	53	-1.0	-39.34	410.20	8.96	-30.38
CCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020268978	0	50	-1.0	-41.35	388.34	8.21	-33.14
CCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020268978	1	50	-1.0	-41.35	388.39	8.23	-33.12
CCC(CC)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020268979	0	57	-1.0	-42.10	429.22	11.05	-31.05
CCC(CC)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020268979	1	57	-1.0	-42.10	429.26	11.04	-31.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020268980	0	49	-1.0	-40.03	383.12	8.94	-31.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020268980	1	49	-1.0	-39.99	383.17	8.96	-31.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020268981	0	46	-1.0	-42.10	361.63	8.16	-33.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020268981	1	46	-1.0	-42.13	361.68	8.18	-33.95
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020268982	0	53	-1.0	-42.04	409.44	10.94	-31.10
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020268982	1	53	-1.0	-42.00	409.44	10.93	-31.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020268983	0	45	-1.0	-43.65	366.20	6.84	-36.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020268983	1	45	-1.0	-43.74	366.26	6.85	-36.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020268984	0	42	-1.0	-45.78	344.35	6.22	-39.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020268984	1	42	-1.0	-45.79	344.41	6.24	-39.55
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020268985	0	49	-1.0	-45.79	396.82	8.95	-36.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020268985	1	49	-1.0	-45.77	396.87	8.94	-36.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020268986	0	41	-1.0	-42.44	341.07	4.61	-37.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020268986	1	41	-1.0	-42.46	341.13	4.62	-37.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020268987	0	38	-1.0	-43.77	319.01	3.79	-39.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020268987	1	38	-1.0	-43.76	318.96	3.77	-39.99
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020268988	0	45	-1.0	-44.75	366.20	6.41	-38.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020268988	1	45	-1.0	-44.73	366.24	6.40	-38.33
CCCCC(CC)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020268989	0	59	-1.0	-39.19	453.14	10.50	-28.69
CCCCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020268989	1	59	-1.0	-39.20	453.20	10.51	-28.69
CCCCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020268990	0	56	-1.0	-41.29	431.34	9.75	-31.54
CCCCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020268990	1	56	-1.0	-41.27	431.39	9.78	-31.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020268991	0	46	-1.0	-42.75	372.38	6.15	-36.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020268991	1	46	-1.0	-42.77	372.44	6.16	-36.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020268992	0	43	-1.0	-42.92	339.76	5.01	-37.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020268992	1	43	-1.0	-42.96	339.81	5.03	-37.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020268993	0	54	-1.0	-44.64	422.23	9.55	-35.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020268993	1	54	-1.0	-44.63	422.29	9.56	-35.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020268994	0	51	-1.0	-47.36	400.72	8.76	-38.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020268994	1	51	-1.0	-47.35	400.77	8.79	-38.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020268995	0	50	-1.0	-47.96	397.62	7.11	-40.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020268995	1	50	-1.0	-47.97	397.68	7.12	-40.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020268996	0	47	-1.0	-46.67	356.76	5.81	-40.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020268996	1	47	-1.0	-46.67	356.82	5.82	-40.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020268997	0	50	-1.0	-47.96	397.62	7.11	-40.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020268997	1	50	-1.0	-47.97	397.68	7.12	-40.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020268998	0	47	-1.0	-46.67	356.76	5.81	-40.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020268998	1	47	-1.0	-46.67	356.82	5.82	-40.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020268999	0	53	-1.0	-43.32	422.89	5.34	-37.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020268999	1	53	-1.0	-43.32	422.95	5.37	-37.95
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269000	0	43	-1.0	-41.21	352.25	7.99	-33.22
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269000	1	43	-1.0	-41.18	352.29	7.98	-33.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020269001	0	47	-1.0	-42.00	383.75	7.95	-34.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020269001	1	47	-1.0	-41.99	383.81	7.97	-34.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020269002	0	44	-1.0	-46.73	355.59	7.17	-39.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020269002	1	44	-1.0	-46.76	355.64	7.19	-39.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020269003	0	43	-1.0	-40.09	354.96	5.52	-34.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020269003	1	43	-1.0	-40.09	355.02	5.54	-34.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020269004	0	40	-1.0	-44.64	333.36	4.74	-39.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020269004	1	40	-1.0	-44.60	333.41	4.76	-39.84
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020269005	0	47	-1.0	-45.21	381.88	7.52	-37.69
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020269005	1	47	-1.0	-45.24	381.92	7.52	-37.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020269006	0	57	-1.0	-41.52	433.89	9.30	-32.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020269006	1	57	-1.0	-41.56	433.95	9.31	-32.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020269007	0	54	-1.0	-42.28	412.39	8.51	-33.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)CC1	REAL300020269007	1	54	-1.0	-42.32	412.45	8.54	-33.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020269008	0	43	-1.0	-41.00	365.77	5.81	-35.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020269008	1	43	-1.0	-41.04	365.83	5.83	-35.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020269009	0	40	-1.0	-42.80	344.26	5.03	-37.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020269009	1	40	-1.0	-42.84	344.32	5.06	-37.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020269010	0	46	-1.0	-40.98	381.71	6.98	-34.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020269010	1	46	-1.0	-41.00	381.77	7.00	-34.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020269011	0	43	-1.0	-42.81	356.94	6.04	-36.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020269011	1	43	-1.0	-42.84	356.99	6.06	-36.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020269012	0	51	-1.0	-44.52	397.37	8.03	-36.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020269012	1	51	-1.0	-44.47	397.42	8.04	-36.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020269013	0	48	-1.0	-45.06	375.85	7.24	-37.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020269013	1	48	-1.0	-45.06	375.91	7.27	-37.79
CCC(CC)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020269014	0	55	-1.0	-45.48	411.18	7.32	-38.16
CCC(CC)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020269014	1	55	-1.0	-45.46	411.23	7.33	-38.13
CCC(CC)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020269015	0	52	-1.0	-47.53	406.26	6.83	-40.70
CCC(CC)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020269015	1	52	-1.0	-47.55	406.33	6.85	-40.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020269016	0	41	-1.0	-41.65	323.62	4.37	-37.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020269016	1	41	-1.0	-41.63	323.68	4.38	-37.25
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020269017	0	45	-1.0	-43.49	356.86	6.48	-37.01
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020269017	1	45	-1.0	-43.44	356.90	6.48	-36.96
CCCCCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269018	0	54	-1.0	-41.00	409.84	8.54	-32.46
CCCCCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269018	1	54	-1.0	-41.03	409.90	8.55	-32.48
CCCCCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020269019	0	51	-1.0	-43.61	392.09	8.04	-35.57
CCCCCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020269019	1	51	-1.0	-43.64	392.14	8.05	-35.59
CCCCCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269020	0	58	-1.0	-42.54	441.98	10.65	-31.89
CCCCCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269020	1	58	-1.0	-42.54	442.03	10.64	-31.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020269021	0	52	-1.0	-40.85	394.59	8.29	-32.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020269021	1	52	-1.0	-40.85	394.65	8.30	-32.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020269022	0	49	-1.0	-43.94	375.09	7.77	-36.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020269022	1	49	-1.0	-43.95	375.15	7.78	-36.17
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1CC1CCC1	REAL300020269023	0	56	-1.0	-42.68	429.02	10.52	-32.16
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1CC1CCC1	REAL300020269023	1	56	-1.0	-42.64	429.06	10.51	-32.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020269024	0	50	-1.0	-40.73	406.77	7.56	-33.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020269024	1	50	-1.0	-40.75	406.83	7.57	-33.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020269025	0	47	-1.0	-43.74	379.41	6.74	-37.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020269025	1	47	-1.0	-43.74	379.47	6.76	-36.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020269026	0	54	-1.0	-39.84	429.77	9.12	-30.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020269026	1	54	-1.0	-39.88	429.83	9.14	-30.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020269027	0	51	-1.0	-42.63	404.71	8.44	-34.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020269027	1	51	-1.0	-42.64	404.77	8.47	-34.17
CCOC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2)N=N1	REAL300020269028	0	53	-1.0	-43.84	431.54	4.45	-39.39
CCOC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CC2)N=N1	REAL300020269028	1	53	-1.0	-43.84	431.48	4.43	-39.41
CCOC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)N=N1	REAL300020269029	0	50	-1.0	-46.97	410.08	3.68	-43.29
CCOC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)N=N1	REAL300020269029	1	50	-1.0	-46.92	410.04	3.66	-43.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020269030	0	51	-1.0	-45.94	409.88	7.21	-38.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020269030	1	51	-1.0	-45.95	409.94	7.23	-38.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020269031	0	48	-1.0	-48.80	386.98	6.40	-42.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020269031	1	48	-1.0	-48.80	387.03	6.43	-42.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2OC)CC1	REAL300020269032	0	51	-1.0	-49.93	415.13	6.48	-43.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2OC)CC1	REAL300020269032	1	51	-1.0	-49.93	415.18	6.51	-43.42
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020269033	0	44	-1.0	-41.25	352.53	8.94	-32.31
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020269033	1	44	-1.0	-41.20	352.57	8.93	-32.27
CCC1=NOC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CC2)=N1	REAL300020269034	0	53	-1.0	-45.32	425.36	6.72	-38.60
CCC1=NOC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2)=N1	REAL300020269034	1	53	-1.0	-45.30	425.42	6.74	-38.56
CCC1=NOC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)=N1	REAL300020269035	0	50	-1.0	-48.73	403.54	6.10	-42.63
CCC1=NOC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)=N1	REAL300020269035	1	50	-1.0	-48.70	403.60	6.13	-42.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020269036	0	52	-1.0	-45.52	411.07	7.78	-37.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020269036	1	52	-1.0	-45.54	411.13	7.80	-37.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020269037	0	49	-1.0	-46.91	392.16	7.13	-39.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020269037	1	49	-1.0	-46.89	392.22	7.16	-39.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Br)=C2C1	REAL300020269038	0	40	-1.0	-45.30	350.47	5.20	-40.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Br)=C2C1	REAL300020269038	1	40	-1.0	-45.28	350.53	5.22	-40.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Br)=C2C1	REAL300020269039	0	37	-1.0	-47.79	324.78	4.46	-43.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Br)=C2C1	REAL300020269039	1	37	-1.0	-47.76	324.83	4.48	-43.28
CCN(CC1=CN(CC)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269040	0	48	-1.0	-42.92	375.76	6.12	-36.80
CCN(CC1=CN(CC)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269040	1	48	-1.0	-42.89	375.70	6.11	-36.78
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020269041	0	45	-1.0	-44.46	364.27	5.57	-38.89
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020269041	1	45	-1.0	-44.48	364.22	5.55	-38.93
CCN(CC1=CN(CC)N=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269042	0	52	-1.0	-44.60	423.83	8.65	-35.95
CCN(CC1=CN(CC)N=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269042	1	52	-1.0	-44.67	423.81	8.66	-36.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020269043	0	40	-1.0	-42.97	352.96	4.58	-38.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020269043	1	40	-1.0	-42.92	353.02	4.59	-38.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020269044	0	37	-1.0	-43.04	332.51	3.94	-39.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020269044	1	37	-1.0	-43.12	332.56	3.97	-39.15
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020269045	0	44	-1.0	-46.63	375.48	6.77	-39.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020269045	1	44	-1.0	-46.58	375.53	6.76	-39.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020269046	0	44	-1.0	-43.35	346.27	8.15	-35.20
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020269046	1	44	-1.0	-43.31	346.30	8.15	-35.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020269047	0	45	-1.0	-40.61	363.04	4.08	-36.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020269047	1	45	-1.0	-40.62	363.09	4.09	-36.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020269048	0	42	-1.0	-42.45	337.38	3.38	-39.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020269048	1	42	-1.0	-42.41	337.33	3.36	-39.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020269049	0	50	-1.0	-40.35	404.93	8.55	-31.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020269049	1	50	-1.0	-40.41	404.99	8.56	-31.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020269050	0	47	-1.0	-42.37	383.21	7.94	-34.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020269050	1	47	-1.0	-42.39	383.26	7.95	-34.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020269051	0	41	-1.0	-41.44	342.77	7.21	-34.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020269051	1	41	-1.0	-41.46	342.83	7.23	-34.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020269052	0	38	-1.0	-41.70	326.60	6.59	-35.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020269052	1	38	-1.0	-41.67	326.54	6.56	-35.11
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CCSC1	REAL300020269053	0	45	-1.0	-43.32	374.69	9.35	-33.97
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CCSC1	REAL300020269053	1	45	-1.0	-43.26	374.76	9.34	-33.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020269054	0	44	-1.0	-40.45	350.77	5.39	-35.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020269054	1	44	-1.0	-40.45	350.82	5.40	-35.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020269055	0	41	-1.0	-42.63	328.25	4.84	-37.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020269055	1	41	-1.0	-42.66	328.31	4.86	-37.80
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020269056	0	48	-1.0	-43.91	363.82	6.90	-37.01
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020269056	1	48	-1.0	-43.88	363.86	6.89	-36.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020269057	0	49	-1.0	-40.90	384.82	8.61	-32.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020269057	1	49	-1.0	-40.92	384.88	8.62	-32.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020269058	0	46	-1.0	-43.85	353.77	7.91	-35.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020269058	1	46	-1.0	-43.89	353.83	7.94	-35.95
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020269059	0	53	-1.0	-42.55	416.25	10.81	-31.74
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020269059	1	53	-1.0	-42.53	416.30	10.81	-31.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)CC1	REAL300020269060	0	49	-1.0	-41.15	383.83	6.67	-34.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)CC1	REAL300020269060	1	49	-1.0	-41.16	383.89	6.68	-34.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)CC1	REAL300020269061	0	46	-1.0	-44.04	362.93	5.95	-38.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)CC1	REAL300020269061	1	46	-1.0	-44.01	362.99	5.98	-38.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCOC)CC1	REAL300020269062	0	53	-1.0	-42.67	412.82	8.53	-34.14
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCOC)CC1	REAL300020269062	1	53	-1.0	-42.71	412.86	8.52	-34.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020269063	0	45	-1.0	-45.34	373.54	5.45	-39.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020269063	1	45	-1.0	-45.35	373.48	5.43	-39.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020269064	0	42	-1.0	-46.99	352.03	4.67	-42.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020269064	1	42	-1.0	-46.95	351.97	4.65	-42.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C)C(Br)=C2C1	REAL300020269065	0	40	-1.0	-43.27	347.64	7.85	-35.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C)C(Br)=C2C1	REAL300020269065	1	40	-1.0	-43.30	347.70	7.87	-35.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=C(F)C=C2)CC1	REAL300020269066	0	50	-1.0	-42.65	410.57	8.65	-34.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=C(F)C=C2)CC1	REAL300020269066	1	50	-1.0	-42.66	410.63	8.68	-33.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300020269067	0	49	-1.0	-44.13	402.27	9.81	-34.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300020269067	1	49	-1.0	-44.14	402.33	9.83	-34.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300020269068	0	46	-1.0	-46.06	384.35	8.92	-37.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300020269068	1	46	-1.0	-46.05	384.40	8.95	-37.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020269069	0	48	-1.0	-48.30	382.04	6.10	-42.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020269069	1	48	-1.0	-48.25	382.10	6.11	-42.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020269070	0	45	-1.0	-52.05	360.24	5.48	-46.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020269070	1	45	-1.0	-52.05	360.30	5.51	-46.54
CCCCCCC(CC)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269071	0	59	-1.0	-39.23	446.92	10.65	-28.58
CCCCCCC(CC)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269071	1	59	-1.0	-39.26	446.98	10.66	-28.60
CCCCCCC(CC)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020269072	0	56	-1.0	-41.41	432.10	10.45	-30.96
CCCCCCC(CC)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020269072	1	56	-1.0	-41.41	432.16	10.48	-30.93
C#CCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269073	0	44	-1.0	-41.93	370.53	5.70	-36.23
C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269073	1	44	-1.0	-41.96	370.59	5.72	-36.24
C#CCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020269074	0	41	-1.0	-47.01	345.92	4.61	-42.40
C#CCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020269074	1	41	-1.0	-47.02	345.87	4.58	-42.44
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269075	0	48	-1.0	-44.07	391.96	7.21	-36.86
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269075	1	48	-1.0	-44.04	391.99	7.20	-36.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020269076	0	43	-1.0	-41.01	344.78	6.96	-34.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020269076	1	43	-1.0	-40.99	344.84	6.97	-34.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020269077	0	40	-1.0	-43.30	331.65	7.37	-35.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020269077	1	40	-1.0	-43.26	331.57	7.35	-35.91
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020269078	0	47	-1.0	-42.49	376.26	8.87	-33.62
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020269078	1	47	-1.0	-42.50	376.29	8.86	-33.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020269079	0	50	-1.0	-40.68	383.15	6.06	-34.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020269079	1	50	-1.0	-40.70	383.21	6.07	-34.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020269080	0	47	-1.0	-43.11	365.83	5.50	-37.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020269080	1	47	-1.0	-43.10	365.89	5.52	-37.58
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020269081	0	54	-1.0	-42.41	411.21	8.03	-34.38
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020269081	1	54	-1.0	-42.43	411.25	8.02	-34.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020269082	0	55	-1.0	-40.25	409.45	9.82	-30.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020269082	1	55	-1.0	-40.25	409.51	9.84	-30.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020269083	0	52	-1.0	-42.21	391.43	9.15	-33.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020269083	1	52	-1.0	-42.20	391.49	9.17	-33.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Cl)=C1)CC(C)C	REAL300020269084	0	51	-1.0	-40.40	425.00	10.24	-30.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Cl)=C1)CC(C)C	REAL300020269084	1	51	-1.0	-40.40	425.05	10.26	-30.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Cl)=C1)CC(C)C	REAL300020269085	0	48	-1.0	-48.50	398.17	8.89	-39.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Cl)=C1)CC(C)C	REAL300020269085	1	48	-1.0	-48.51	398.23	8.93	-39.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020269086	0	49	-1.0	-42.56	377.56	9.46	-33.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020269086	1	49	-1.0	-42.57	377.62	9.47	-33.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020269087	0	46	-1.0	-45.30	361.57	8.58	-36.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020269087	1	46	-1.0	-45.28	361.52	8.55	-36.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020269088	0	47	-1.0	-42.31	372.73	8.92	-33.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020269088	1	47	-1.0	-42.37	372.78	8.94	-33.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020269089	0	44	-1.0	-44.51	350.65	8.41	-36.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020269089	1	44	-1.0	-44.51	350.60	8.38	-36.13
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020269090	0	51	-1.0	-44.83	403.23	10.50	-34.33
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020269090	1	51	-1.0	-44.78	403.23	10.48	-34.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020269091	0	47	-1.0	-44.83	381.71	4.13	-40.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020269091	1	47	-1.0	-44.84	381.76	4.15	-40.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020269092	0	44	-1.0	-46.53	360.81	3.42	-43.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020269092	1	44	-1.0	-46.56	360.86	3.44	-43.12
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020269093	0	51	-1.0	-47.52	410.70	6.00	-41.52
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020269093	1	51	-1.0	-47.46	410.74	5.99	-41.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020269094	0	51	-1.0	-40.45	391.81	7.91	-32.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020269094	1	51	-1.0	-40.46	391.86	7.93	-32.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020269095	0	48	-1.0	-42.21	374.68	7.03	-35.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020269095	1	48	-1.0	-42.18	374.73	7.07	-35.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020269096	0	51	-1.0	-42.02	407.22	5.98	-36.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020269096	1	51	-1.0	-42.05	407.28	5.99	-36.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020269097	0	48	-1.0	-44.14	391.92	5.03	-39.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020269097	1	48	-1.0	-44.15	391.98	5.06	-39.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020269098	0	45	-1.0	-41.30	349.74	5.85	-35.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020269098	1	45	-1.0	-41.29	349.80	5.87	-35.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020269099	0	42	-1.0	-44.33	322.81	5.17	-39.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020269099	1	42	-1.0	-44.38	322.87	5.19	-39.19
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C3COCC3C2C1	REAL300020269100	0	49	-1.0	-43.33	378.17	7.83	-35.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C3COCC3C2C1	REAL300020269100	1	49	-1.0	-43.30	378.21	7.82	-35.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020269101	0	47	-1.0	-49.50	375.48	4.26	-45.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020269101	1	47	-1.0	-49.49	375.53	4.27	-45.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020269102	0	44	-1.0	-51.60	355.22	4.39	-47.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020269102	1	44	-1.0	-51.59	355.17	4.37	-47.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	REAL300020269103	0	45	-2.0	-89.57	364.84	3.47	-86.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1	REAL300020269103	1	46	-1.0	-47.83	385.47	5.29	-42.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1	REAL300020269103	1	46	-1.0	-47.83	385.53	5.30	-42.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	REAL300020269103	1	45	-2.0	-89.57	364.89	3.48	-86.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020269104	0	51	-1.0	-40.66	376.01	6.30	-34.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020269104	1	51	-1.0	-40.66	376.07	6.32	-34.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020269105	0	48	-1.0	-42.21	359.32	5.67	-36.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020269105	1	48	-1.0	-42.21	359.38	5.69	-36.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020269106	0	45	-1.0	-39.37	365.60	7.54	-31.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020269106	1	45	-1.0	-39.33	365.66	7.55	-31.78
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1(C)C	REAL300020269107	0	49	-1.0	-42.23	385.27	9.59	-32.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1(C)C	REAL300020269107	1	49	-1.0	-42.26	385.30	9.58	-32.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020269108	0	47	-1.0	-41.27	357.03	4.65	-36.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020269108	1	47	-1.0	-41.26	357.09	4.67	-36.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020269109	0	44	-1.0	-43.68	335.44	3.90	-39.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020269109	1	44	-1.0	-43.74	335.49	3.93	-39.81
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020269110	0	51	-1.0	-43.61	366.17	5.02	-38.59
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020269110	1	51	-1.0	-43.65	366.19	5.01	-38.64
CCN(CCOC1=CC=CC=C1OC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269111	0	53	-1.0	-43.83	425.72	8.22	-35.61
CCN(CCOC1=CC=CC=C1OC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269111	1	53	-1.0	-43.85	425.78	8.24	-35.61
CCN(CCOC1=CC=CC=C1OC)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020269112	0	50	-1.0	-48.45	400.43	7.46	-40.99
CCN(CCOC1=CC=CC=C1OC)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020269112	1	50	-1.0	-48.41	400.48	7.47	-40.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020269113	0	45	-1.0	-48.97	367.52	1.82	-47.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020269113	1	45	-1.0	-48.96	367.58	1.84	-47.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020269114	0	42	-1.0	-52.48	345.85	1.21	-51.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020269114	1	42	-1.0	-52.47	345.91	1.22	-51.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020269115	0	55	0.0	-66.01	428.42	7.40	-58.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020269115	1	55	0.0	-66.06	428.47	7.41	-58.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020269116	0	52	0.0	-64.84	406.93	6.62	-58.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020269116	1	52	0.0	-64.80	406.99	6.66	-58.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020269117	0	43	-1.0	-40.20	328.33	7.74	-32.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020269117	1	43	-1.0	-40.16	328.39	7.76	-32.40
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020269118	0	47	-1.0	-41.55	364.54	9.77	-31.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020269118	1	47	-1.0	-41.56	364.58	9.76	-31.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020269119	0	52	-1.0	-49.34	412.21	5.85	-43.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020269119	1	52	-1.0	-49.38	412.27	5.87	-43.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020269120	0	49	-1.0	-51.83	385.79	5.31	-46.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020269120	1	49	-1.0	-51.81	385.84	5.31	-46.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020269121	0	52	-1.0	-49.55	412.24	5.81	-43.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020269121	1	52	-1.0	-49.59	412.29	5.83	-43.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020269122	0	49	-1.0	-50.21	389.78	5.41	-44.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020269122	1	49	-1.0	-50.21	389.83	5.43	-44.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020269123	0	41	-1.0	-46.60	330.81	3.39	-43.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020269123	1	41	-1.0	-46.62	330.87	3.40	-43.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020269124	0	38	-1.0	-44.27	316.27	3.92	-40.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020269124	1	38	-1.0	-44.26	316.21	3.90	-40.36
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020269125	0	45	-1.0	-48.16	360.68	5.59	-42.57
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020269125	1	45	-1.0	-48.13	360.72	5.58	-42.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300020269126	0	52	-1.0	-44.45	413.92	9.42	-35.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300020269126	1	52	-1.0	-44.47	413.98	9.44	-35.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300020269127	0	49	-1.0	-47.53	396.06	8.75	-38.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300020269127	1	49	-1.0	-47.53	396.12	8.77	-38.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020269128	0	43	-1.0	-41.07	344.19	7.00	-34.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020269128	1	43	-1.0	-41.08	344.24	7.02	-34.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020269129	0	40	-1.0	-45.08	325.47	7.24	-37.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020269129	1	40	-1.0	-45.06	325.41	7.22	-37.84
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020269130	0	47	-1.0	-43.66	374.51	9.98	-33.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020269130	1	47	-1.0	-43.62	374.54	9.98	-33.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020269131	0	48	-1.0	-41.18	381.83	7.54	-33.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020269131	1	48	-1.0	-41.18	381.88	7.56	-33.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020269132	0	45	-1.0	-44.63	357.07	6.83	-37.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020269132	1	45	-1.0	-44.65	357.13	6.86	-37.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020269133	0	52	-1.0	-43.08	406.06	9.56	-33.52
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020269133	1	52	-1.0	-43.03	406.10	9.55	-33.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020269134	0	51	-1.0	-50.98	388.26	5.95	-45.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020269134	1	51	-1.0	-50.95	388.32	5.97	-44.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020269135	0	48	-1.0	-47.25	367.95	5.24	-42.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020269135	1	48	-1.0	-47.24	368.00	5.26	-41.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020269136	0	51	-1.0	-41.76	396.82	8.81	-32.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020269136	1	51	-1.0	-41.75	396.87	8.82	-32.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020269137	0	48	-1.0	-44.36	374.14	8.02	-36.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020269137	1	48	-1.0	-44.33	374.20	8.05	-36.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020269138	0	46	-1.0	-41.44	371.52	5.76	-35.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020269138	1	46	-1.0	-41.41	371.57	5.77	-35.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020269139	0	43	-1.0	-44.63	354.02	5.07	-39.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020269139	1	43	-1.0	-44.62	354.07	5.09	-39.53
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020269140	0	50	-1.0	-43.86	397.68	8.03	-35.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020269140	1	50	-1.0	-43.87	397.72	8.01	-35.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020269141	0	52	-1.0	-41.06	401.05	7.46	-33.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020269141	1	52	-1.0	-41.06	401.11	7.48	-33.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020269142	0	49	-1.0	-41.88	375.37	6.73	-35.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020269142	1	49	-1.0	-41.87	375.43	6.75	-35.12
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020269143	0	56	-1.0	-42.90	429.93	9.37	-33.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020269143	1	56	-1.0	-42.98	429.96	9.36	-33.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020269144	0	49	-1.0	-52.06	389.43	4.70	-47.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020269144	1	49	-1.0	-52.06	389.49	4.72	-47.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020269145	0	46	-1.0	-54.52	368.54	3.71	-50.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020269145	1	46	-1.0	-54.51	368.60	3.74	-50.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020269146	0	47	-1.0	-50.54	389.08	2.28	-48.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020269146	1	47	-1.0	-50.57	389.14	2.30	-48.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020269147	0	44	-1.0	-54.04	368.44	1.31	-52.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020269147	1	44	-1.0	-54.06	368.50	1.33	-52.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020269148	0	50	-1.0	-46.68	402.49	1.93	-44.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020269148	1	50	-1.0	-46.69	402.55	1.95	-44.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020269149	0	47	-1.0	-50.42	380.69	1.32	-49.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020269149	1	47	-1.0	-50.43	380.74	1.34	-49.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=CC(C)=C2)CC1	REAL300020269150	0	53	-1.0	-51.33	427.60	7.56	-43.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=CC(C)=C2)CC1	REAL300020269150	1	53	-1.0	-51.35	427.66	7.57	-43.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020269151	0	42	-1.0	-40.80	353.43	7.04	-33.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020269151	1	42	-1.0	-40.81	353.49	7.05	-33.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020269152	0	39	-1.0	-42.81	327.94	6.46	-36.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020269152	1	39	-1.0	-42.82	328.00	6.49	-36.33
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020269153	0	46	-1.0	-44.71	369.67	9.12	-35.59
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020269153	1	46	-1.0	-44.71	369.72	9.12	-35.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020269154	0	42	-1.0	-42.66	336.62	6.97	-35.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020269154	1	42	-1.0	-42.62	336.67	6.99	-35.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)CC1	REAL300020269155	0	46	-1.0	-44.99	359.12	8.84	-36.15
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)CC1	REAL300020269155	1	46	-1.0	-44.98	359.14	8.84	-36.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020269156	0	48	-1.0	-40.12	374.60	8.24	-31.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020269156	1	48	-1.0	-40.14	374.65	8.25	-31.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020269157	0	45	-1.0	-43.31	352.90	7.65	-35.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020269157	1	45	-1.0	-43.29	352.85	7.64	-35.65
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020269158	0	52	-1.0	-42.55	400.29	10.97	-31.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020269158	1	52	-1.0	-42.50	400.34	10.96	-31.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020269159	0	48	-1.0	-39.90	380.87	8.46	-31.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020269159	1	48	-1.0	-39.92	380.93	8.48	-31.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020269160	0	45	-1.0	-43.35	353.94	7.71	-35.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020269160	1	45	-1.0	-43.29	353.87	7.69	-35.60
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020269161	0	52	-1.0	-41.68	407.94	10.40	-31.28
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020269161	1	52	-1.0	-41.66	407.98	10.40	-31.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020269162	0	46	-1.0	-41.74	342.87	7.32	-34.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020269162	1	46	-1.0	-41.75	342.92	7.33	-34.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020269163	0	43	-1.0	-44.18	320.67	6.78	-37.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020269163	1	43	-1.0	-44.19	320.72	6.80	-37.39
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020269164	0	50	-1.0	-43.79	375.16	9.39	-34.40
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020269164	1	50	-1.0	-43.75	375.18	9.38	-34.37
CC=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020269165	0	49	-1.0	-39.66	390.83	9.07	-30.59
CC=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020269165	1	49	-1.0	-39.67	390.89	9.08	-30.59
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020269166	0	46	-1.0	-42.11	370.20	8.08	-34.03
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020269166	1	46	-1.0	-42.12	370.26	8.11	-34.01
CC=CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020269167	0	53	-1.0	-41.38	417.98	10.98	-30.40
CC=CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020269167	1	53	-1.0	-41.33	418.02	10.97	-30.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2=CC=C(C)C=C2)CC1	REAL300020269168	0	53	-1.0	-48.76	427.06	7.76	-41.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2=CC=C(C)C=C2)CC1	REAL300020269168	1	53	-1.0	-48.74	427.12	7.79	-40.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020269169	0	50	-1.0	-44.54	395.98	8.02	-36.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020269169	1	50	-1.0	-44.59	396.04	8.04	-36.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020269170	0	47	-1.0	-47.09	379.32	7.38	-39.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020269170	1	47	-1.0	-47.08	379.37	7.41	-39.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CS(=O)(=O)NC)C1	REAL300020269171	0	50	-1.0	-46.55	409.44	3.25	-43.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CS(=O)(=O)NC)C1	REAL300020269171	1	50	-1.0	-46.56	409.50	3.26	-43.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CS(=O)(=O)NC)C1	REAL300020269172	0	47	-1.0	-49.77	373.89	1.80	-47.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CS(=O)(=O)NC)C1	REAL300020269172	1	47	-1.0	-49.75	373.94	1.83	-47.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(COC)C1	REAL300020269173	0	47	-1.0	-40.83	376.42	4.65	-36.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(COC)C1	REAL300020269173	1	47	-1.0	-40.83	376.48	4.67	-36.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(COC)C1	REAL300020269174	0	44	-1.0	-42.74	354.92	3.87	-38.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(COC)C1	REAL300020269174	1	44	-1.0	-42.75	354.98	3.89	-38.86
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(COC)C1	REAL300020269175	0	51	-1.0	-42.90	403.45	6.65	-36.25
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(COC)C1	REAL300020269175	1	51	-1.0	-42.92	403.49	6.65	-36.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020269176	0	47	-1.0	-51.59	384.57	8.48	-43.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020269176	1	47	-1.0	-51.58	384.62	8.50	-43.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020269177	0	44	-1.0	-53.78	358.59	7.70	-46.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020269177	1	44	-1.0	-53.77	358.54	7.68	-46.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC3=CC=CC=C3N2)CC1	REAL300020269178	0	52	-1.0	-44.58	419.64	6.28	-38.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC3=CC=CC=C3N2)CC1	REAL300020269178	1	52	-1.0	-44.58	419.69	6.31	-38.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020269179	0	44	-1.0	-47.60	344.85	1.54	-46.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020269179	1	44	-1.0	-47.58	344.91	1.56	-46.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020269180	0	41	-1.0	-46.45	343.25	1.38	-45.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020269180	1	41	-1.0	-46.50	343.31	1.40	-45.10
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020269181	0	48	-1.0	-48.08	386.27	4.25	-43.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020269181	1	48	-1.0	-48.06	386.24	4.24	-43.82
CCC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CC2)C=C1	REAL300020269182	0	55	-1.0	-40.21	431.82	11.13	-29.08
CCC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020269182	1	55	-1.0	-40.22	431.87	11.15	-29.07
CCC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)C=C1	REAL300020269183	0	52	-1.0	-42.20	414.80	10.27	-31.93
CCC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020269183	1	52	-1.0	-42.20	414.85	10.29	-31.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCOCC2)CC1	REAL300020269184	0	59	0.0	-67.64	412.18	6.92	-60.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(N2CCOCC2)CC1	REAL300020269184	1	58	-1.0	-40.61	411.45	4.94	-35.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCOCC2)CC1	REAL300020269185	0	56	0.0	-68.70	387.43	6.01	-62.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCOCC2)CC1	REAL300020269185	1	56	0.0	-68.73	387.49	6.03	-62.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=C2OCCOC2=C1	REAL300020269186	0	49	-1.0	-48.81	407.96	4.76	-44.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=C2OCCOC2=C1	REAL300020269186	1	49	-1.0	-48.79	408.01	4.79	-44.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020269187	0	46	-1.0	-44.89	359.94	10.87	-34.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020269187	1	46	-1.0	-44.87	360.00	10.89	-33.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020269188	0	43	-1.0	-47.80	342.41	10.26	-37.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020269188	1	43	-1.0	-47.84	342.35	10.24	-37.60
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020269189	0	50	-1.0	-46.50	392.34	12.99	-33.51
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020269189	1	50	-1.0	-46.55	392.37	12.98	-33.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020269190	0	50	-1.0	-40.54	374.47	8.25	-32.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020269190	1	50	-1.0	-40.57	374.53	8.27	-32.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020269191	0	47	-1.0	-42.86	358.17	7.65	-35.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020269191	1	47	-1.0	-42.86	358.23	7.67	-35.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020269192	0	54	0.0	-67.88	379.21	7.49	-60.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020269192	1	54	0.0	-67.90	379.27	7.51	-60.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020269193	0	51	0.0	-66.88	361.33	6.80	-60.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020269193	1	51	0.0	-66.88	361.39	6.82	-60.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020269194	0	58	0.0	-72.22	408.81	9.57	-62.65
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020269194	1	58	0.0	-72.23	408.88	9.56	-62.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020269195	0	42	-1.0	-41.24	339.55	5.84	-35.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020269195	1	42	-1.0	-41.25	339.61	5.85	-35.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020269196	0	39	-1.0	-42.98	321.86	5.11	-37.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020269196	1	39	-1.0	-42.99	321.90	5.13	-37.86
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)CC1C	REAL300020269197	0	46	-1.0	-43.37	371.43	7.99	-35.38
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)CC1C	REAL300020269197	1	46	-1.0	-43.41	371.47	7.99	-35.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)C=C1F	REAL300020269198	0	39	-1.0	-41.09	348.16	7.61	-33.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)C=C1F	REAL300020269198	1	39	-1.0	-41.04	348.23	7.63	-33.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300020269199	0	46	-1.0	-43.03	384.98	8.48	-34.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300020269199	1	46	-1.0	-43.08	385.04	8.49	-34.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300020269200	0	43	-1.0	-44.83	359.52	7.75	-37.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300020269200	1	43	-1.0	-44.86	359.58	7.77	-37.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300020269201	0	46	-1.0	-43.25	375.26	8.00	-35.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300020269201	1	46	-1.0	-43.26	375.32	8.02	-35.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300020269202	0	43	-1.0	-46.86	353.90	7.22	-39.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300020269202	1	43	-1.0	-46.90	353.96	7.24	-39.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2C)CC1	REAL300020269203	0	50	-1.0	-41.34	410.96	9.99	-31.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2C)CC1	REAL300020269203	1	50	-1.0	-41.36	411.02	10.01	-31.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2C)CC1	REAL300020269204	0	47	-1.0	-43.58	385.34	9.24	-34.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2C)CC1	REAL300020269204	1	47	-1.0	-43.59	385.39	9.26	-34.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020269205	0	44	-1.0	-42.39	356.11	4.68	-37.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020269205	1	44	-1.0	-42.43	356.17	4.70	-37.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020269206	0	41	-1.0	-44.81	336.23	4.83	-39.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020269206	1	41	-1.0	-44.79	336.17	4.81	-39.98
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020269207	0	48	-1.0	-43.98	385.52	7.55	-36.43
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020269207	1	48	-1.0	-43.97	385.55	7.54	-36.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020269208	0	55	0.0	-64.08	401.37	8.29	-55.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020269208	1	55	0.0	-64.08	401.42	8.30	-55.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020269209	0	52	0.0	-63.68	380.06	7.52	-56.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020269209	1	52	0.0	-63.70	380.11	7.54	-56.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(CNC(=O)OC(C)(C)C)C1	REAL300020269210	0	56	-1.0	-47.85	433.09	5.59	-42.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(CNC(=O)OC(C)(C)C)C1	REAL300020269210	1	56	-1.0	-47.84	433.15	5.61	-42.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020269211	0	43	-1.0	-44.31	357.46	3.44	-40.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020269211	1	43	-1.0	-44.31	357.52	3.45	-40.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020269212	0	40	-1.0	-46.35	335.97	2.65	-43.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020269212	1	40	-1.0	-46.35	336.02	2.68	-43.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300020269213	0	46	-1.0	-44.12	378.45	8.26	-35.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300020269213	1	46	-1.0	-44.11	378.50	8.28	-35.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300020269214	0	43	-1.0	-44.49	358.71	8.39	-36.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300020269214	1	43	-1.0	-44.48	358.76	8.42	-36.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020269215	0	48	-1.0	-43.17	394.90	7.56	-35.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020269215	1	48	-1.0	-43.21	394.95	7.58	-35.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020269216	0	45	-1.0	-45.82	373.11	6.96	-38.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020269216	1	45	-1.0	-45.81	373.16	6.98	-38.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020269217	0	58	0.0	-63.86	410.46	8.59	-55.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020269217	1	58	0.0	-63.88	410.52	8.61	-55.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020269218	0	55	0.0	-63.42	388.87	7.76	-55.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020269218	1	55	0.0	-63.43	388.92	7.79	-55.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300020269219	0	54	-1.0	-48.14	411.77	6.46	-41.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300020269219	1	54	-1.0	-48.16	411.83	6.48	-41.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300020269220	0	51	-1.0	-52.15	392.14	5.65	-46.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300020269220	1	51	-1.0	-52.15	392.20	5.67	-46.48
CCON1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020269221	0	45	-1.0	-40.10	356.03	4.85	-35.25
CCON1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020269221	1	45	-1.0	-40.07	356.08	4.86	-35.21
CCON1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020269222	0	42	-1.0	-41.29	346.64	4.12	-37.17
CCON1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020269222	1	42	-1.0	-41.29	346.70	4.14	-37.15
CCON1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020269223	0	49	-1.0	-41.51	395.18	6.89	-34.62
CCON1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020269223	1	49	-1.0	-41.48	395.21	6.88	-34.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020269224	0	45	-1.0	-41.43	356.75	7.76	-33.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020269224	1	45	-1.0	-41.45	356.81	7.77	-33.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020269225	0	42	-1.0	-43.01	335.25	6.97	-36.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020269225	1	42	-1.0	-43.02	335.31	7.00	-36.02
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCF)CC1	REAL300020269226	0	49	-1.0	-42.82	385.74	9.62	-33.20
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCF)CC1	REAL300020269226	1	49	-1.0	-42.78	385.78	9.61	-33.17
CCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CCO1	REAL300020269227	0	47	-1.0	-41.70	363.79	4.09	-37.61
CCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CCO1	REAL300020269227	1	47	-1.0	-41.71	363.84	4.11	-37.60
CCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CCO1	REAL300020269228	0	44	-1.0	-43.18	347.31	3.45	-39.73
CCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CCO1	REAL300020269228	1	44	-1.0	-43.24	347.36	3.48	-39.76
CCOCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CCO1	REAL300020269229	0	51	-1.0	-43.85	396.01	6.18	-37.67
CCOCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CCO1	REAL300020269229	1	51	-1.0	-43.83	396.03	6.17	-37.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C1=CC=CC=C1OC	REAL300020269230	0	56	-1.0	-43.21	433.10	8.91	-34.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C1=CC=CC=C1OC	REAL300020269230	1	56	-1.0	-43.16	433.16	8.93	-34.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C1=CC=CC=C1OC	REAL300020269231	0	53	-1.0	-45.20	401.58	7.88	-37.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C1=CC=CC=C1OC	REAL300020269231	1	53	-1.0	-45.21	401.64	7.90	-37.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020269232	0	58	0.0	-64.74	434.18	7.23	-57.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020269232	1	58	0.0	-64.74	434.23	7.24	-57.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020269233	0	55	0.0	-68.35	416.05	6.42	-61.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020269233	1	55	0.0	-68.35	416.11	6.45	-61.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020269234	0	43	-1.0	-42.81	346.11	7.63	-35.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020269234	1	43	-1.0	-42.81	346.17	7.64	-35.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020269235	0	40	-1.0	-43.98	331.00	6.67	-37.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020269235	1	40	-1.0	-43.97	331.06	6.70	-37.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300020269236	0	54	-1.0	-41.37	423.03	9.54	-31.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300020269236	1	54	-1.0	-41.39	423.09	9.56	-31.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300020269237	0	51	-1.0	-46.31	396.77	9.00	-37.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300020269237	1	51	-1.0	-46.32	396.82	9.03	-37.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020269238	0	56	0.0	-66.82	403.99	6.44	-60.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020269238	1	55	-1.0	-39.84	405.84	4.40	-35.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020269238	1	55	-1.0	-39.84	405.90	4.42	-35.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020269239	0	53	0.0	-65.79	386.24	5.79	-60.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020269239	1	53	0.0	-65.83	386.18	5.76	-60.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020269239	1	52	-1.0	-42.52	376.10	3.79	-38.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020269239	1	52	-1.0	-42.52	376.05	3.77	-38.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CNC(C)=O)CC1	REAL300020269240	0	53	-1.0	-48.43	421.18	4.61	-43.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CNC(C)=O)CC1	REAL300020269240	1	53	-1.0	-48.45	421.24	4.63	-43.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CNC(C)=O)CC1	REAL300020269241	0	50	-1.0	-50.53	396.87	4.06	-46.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CNC(C)=O)CC1	REAL300020269241	1	50	-1.0	-50.54	396.93	4.08	-46.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(SC)CC1	REAL300020269242	0	43	-1.0	-39.83	353.46	7.29	-32.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(SC)CC1	REAL300020269242	1	43	-1.0	-39.83	353.51	7.31	-32.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(SC)CC1	REAL300020269243	0	40	-1.0	-42.80	331.66	6.69	-36.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(SC)CC1	REAL300020269243	1	40	-1.0	-42.78	331.72	6.71	-36.07
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(SC)CC1	REAL300020269244	0	47	-1.0	-43.19	373.78	9.28	-33.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(SC)CC1	REAL300020269244	1	47	-1.0	-43.17	373.82	9.27	-33.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020269245	0	52	-1.0	-41.08	397.76	9.31	-31.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020269245	1	52	-1.0	-41.10	397.82	9.32	-31.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020269246	0	49	-1.0	-42.72	380.29	8.63	-34.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020269246	1	49	-1.0	-42.78	380.35	8.66	-34.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020269247	0	54	-1.0	-39.41	409.93	9.53	-29.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020269247	1	54	-1.0	-39.43	409.99	9.55	-29.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020269248	0	51	-1.0	-41.01	380.91	10.47	-30.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020269248	1	51	-1.0	-40.97	380.98	10.49	-30.48
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020269249	0	58	-1.0	-42.17	425.51	13.11	-29.06
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020269249	1	58	-1.0	-42.19	425.50	13.09	-29.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020269250	0	43	-1.0	-42.81	347.68	2.55	-40.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020269250	1	43	-1.0	-42.80	347.74	2.56	-40.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020269251	0	40	-1.0	-45.44	324.10	1.98	-43.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020269251	1	40	-1.0	-45.47	324.16	2.00	-43.47
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020269252	0	47	-1.0	-51.33	378.36	4.82	-46.51
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020269252	1	47	-1.0	-51.30	378.38	4.81	-46.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)(C(=O)OC(C)(C)C)C1	REAL300020269253	0	55	-1.0	-47.37	424.70	7.40	-39.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)(C(=O)OC(C)(C)C)C1	REAL300020269253	1	55	-1.0	-47.48	424.76	7.43	-40.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020269254	0	46	-1.0	-50.91	364.91	5.38	-45.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020269254	1	46	-1.0	-50.87	364.96	5.40	-45.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020269255	0	43	-1.0	-54.70	335.17	4.01	-50.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020269255	1	43	-1.0	-54.68	335.11	3.98	-50.70
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020269256	0	50	-1.0	-52.88	390.41	7.17	-45.71
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020269256	1	50	-1.0	-52.94	390.44	7.16	-45.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020269257	0	43	-1.0	-46.89	341.42	6.91	-39.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020269257	1	43	-1.0	-46.87	341.47	6.92	-39.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020269258	0	40	-1.0	-46.70	318.44	6.35	-40.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020269258	1	40	-1.0	-46.67	318.36	6.33	-40.34
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC1C#N	REAL300020269259	0	47	-1.0	-47.18	373.86	8.87	-38.31
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC1C#N	REAL300020269259	1	47	-1.0	-47.19	373.88	8.86	-38.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300020269260	0	46	-1.0	-42.76	381.91	8.28	-34.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300020269260	1	46	-1.0	-42.78	381.97	8.30	-34.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300020269261	0	43	-1.0	-45.22	360.68	7.51	-37.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300020269261	1	43	-1.0	-45.28	360.74	7.53	-37.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020269262	0	50	-1.0	-52.89	401.52	4.77	-48.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020269262	1	50	-1.0	-52.89	401.58	4.78	-48.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020269263	0	47	-1.0	-56.09	376.45	4.24	-51.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020269263	1	47	-1.0	-56.08	376.51	4.26	-51.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020269264	0	50	-1.0	-51.08	400.10	6.57	-44.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020269264	1	50	-1.0	-51.10	400.15	6.58	-44.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020269265	0	47	-1.0	-52.58	370.46	5.31	-47.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020269265	1	47	-1.0	-52.56	370.40	5.29	-47.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020269266	0	50	-1.0	-44.15	368.42	5.62	-38.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020269266	1	50	-1.0	-44.17	368.48	5.64	-38.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020269267	0	47	-1.0	-49.27	347.32	5.01	-44.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020269267	1	47	-1.0	-49.29	347.38	5.02	-44.27
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020269268	0	54	-1.0	-45.15	402.11	7.80	-37.35
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020269268	1	54	-1.0	-45.14	402.15	7.79	-37.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020269269	0	46	-1.0	-40.59	380.83	7.09	-33.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020269269	1	46	-1.0	-40.64	380.89	7.11	-33.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020269270	0	43	-1.0	-42.48	359.29	6.36	-36.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020269270	1	43	-1.0	-42.48	359.23	6.34	-36.14
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020269271	0	50	-1.0	-43.19	401.87	9.15	-34.04
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020269271	1	50	-1.0	-43.18	401.90	9.14	-34.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020269272	0	41	-1.0	-41.45	324.26	5.42	-36.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020269272	1	41	-1.0	-41.47	324.32	5.43	-36.04
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020269273	0	45	-1.0	-43.50	352.49	7.37	-36.13
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020269273	1	45	-1.0	-43.45	352.53	7.36	-36.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C3CCC3)=NO2)CC1	REAL300020269274	0	54	-1.0	-46.96	434.47	7.16	-39.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C3CCC3)=NO2)CC1	REAL300020269274	1	54	-1.0	-46.94	434.52	7.19	-39.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020269275	0	48	-1.0	-42.68	398.91	5.32	-37.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020269275	1	48	-1.0	-42.70	398.97	5.34	-37.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020269276	0	45	-1.0	-45.14	373.38	4.60	-40.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020269276	1	45	-1.0	-45.11	373.43	4.61	-40.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020269277	0	48	-1.0	-42.57	373.79	6.78	-35.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020269277	1	48	-1.0	-42.60	373.85	6.79	-35.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020269278	0	45	-1.0	-45.69	357.11	6.28	-39.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020269278	1	45	-1.0	-45.65	357.16	6.30	-39.35
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020269279	0	52	-1.0	-44.38	403.64	8.72	-35.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020269279	1	52	-1.0	-44.37	403.68	8.71	-35.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020269280	0	52	0.0	-79.88	405.49	9.22	-70.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020269280	1	52	0.0	-79.91	405.44	9.20	-70.71
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020269281	0	49	0.0	-81.04	383.32	8.69	-72.35
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020269281	1	49	0.0	-80.99	383.27	8.66	-72.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020269282	0	46	-1.0	-41.67	370.22	6.54	-35.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020269282	1	46	-1.0	-41.67	370.28	6.56	-35.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020269283	0	43	-1.0	-43.75	350.43	5.73	-38.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020269283	1	43	-1.0	-43.71	350.48	5.76	-37.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020269284	0	43	-1.0	-41.50	355.55	5.45	-36.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020269284	1	43	-1.0	-41.52	355.61	5.46	-36.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020269285	0	40	-1.0	-43.59	334.07	4.66	-38.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020269285	1	40	-1.0	-43.61	334.13	4.70	-38.91
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCF)C1	REAL300020269286	0	47	-1.0	-44.23	377.07	7.55	-36.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCF)C1	REAL300020269286	1	47	-1.0	-44.27	377.05	7.54	-36.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020269287	0	50	-1.0	-43.03	389.29	9.90	-33.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020269287	1	50	-1.0	-43.02	389.34	9.92	-33.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020269288	0	47	-1.0	-46.03	367.84	9.12	-36.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020269288	1	47	-1.0	-46.04	367.90	9.15	-36.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)CCC1C	REAL300020269289	0	46	-1.0	-40.65	366.34	5.07	-35.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)CCC1C	REAL300020269289	1	46	-1.0	-40.64	366.40	5.08	-35.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)CCC1C	REAL300020269290	0	43	-1.0	-43.51	341.79	4.11	-39.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)CCC1C	REAL300020269290	1	43	-1.0	-43.50	341.83	4.13	-39.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)CCC1C	REAL300020269291	0	50	-1.0	-42.11	390.07	6.83	-35.28
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)CCC1C	REAL300020269291	1	50	-1.0	-42.10	390.13	6.82	-35.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020269292	0	52	-1.0	-41.91	419.18	7.45	-34.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020269292	1	52	-1.0	-41.96	419.24	7.47	-34.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020269293	0	49	-1.0	-44.93	393.22	6.91	-38.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020269293	1	49	-1.0	-44.93	393.28	6.93	-38.00
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269294	0	52	-1.0	-43.36	412.75	7.56	-35.80
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269294	1	52	-1.0	-43.38	412.81	7.58	-35.80
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020269295	0	49	-1.0	-45.75	389.73	6.78	-38.97
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020269295	1	49	-1.0	-45.75	389.67	6.76	-38.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020269296	0	48	-1.0	-40.95	396.10	7.87	-33.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020269296	1	48	-1.0	-40.94	396.15	7.88	-33.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020269297	0	45	-1.0	-43.71	370.24	7.31	-36.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020269297	1	45	-1.0	-43.72	370.30	7.32	-36.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300020269298	0	52	-1.0	-43.37	416.33	7.14	-36.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300020269298	1	52	-1.0	-43.36	416.39	7.15	-36.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300020269299	0	49	-1.0	-46.04	394.90	6.58	-39.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300020269299	1	49	-1.0	-46.08	394.96	6.61	-39.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(OC)=C2)CC1	REAL300020269300	0	56	-1.0	-43.33	439.78	9.76	-33.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(OC)=C2)CC1	REAL300020269300	1	56	-1.0	-43.30	439.83	9.77	-33.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(OC)=C2)CC1	REAL300020269301	0	53	-1.0	-46.26	418.45	8.94	-37.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(OC)=C2)CC1	REAL300020269301	1	53	-1.0	-46.27	418.51	8.96	-37.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020269302	0	42	-1.0	-45.78	355.78	2.87	-42.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020269302	1	42	-1.0	-45.83	355.84	2.88	-42.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020269303	0	39	-1.0	-47.03	334.30	2.08	-44.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020269303	1	39	-1.0	-47.05	334.35	2.11	-44.94
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020269304	0	46	-1.0	-48.44	384.04	4.89	-43.55
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020269304	1	46	-1.0	-48.39	384.08	4.88	-43.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020269305	0	46	-1.0	-41.89	355.61	4.51	-37.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020269305	1	46	-1.0	-41.89	355.67	4.52	-37.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020269306	0	43	-1.0	-43.24	354.21	4.35	-38.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020269306	1	43	-1.0	-43.24	354.27	4.38	-38.86
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020269307	0	50	-1.0	-45.55	400.84	7.21	-38.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020269307	1	50	-1.0	-45.05	403.17	7.10	-37.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020269308	0	44	-1.0	-44.17	350.68	6.38	-37.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020269308	1	44	-1.0	-44.14	350.73	6.40	-37.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020269309	0	41	-1.0	-45.76	342.88	5.99	-39.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020269309	1	41	-1.0	-45.74	342.83	5.96	-39.78
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020269310	0	48	-1.0	-46.22	383.05	8.50	-37.72
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020269310	1	48	-1.0	-46.18	383.09	8.50	-37.68
CCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020269311	0	40	-1.0	-49.83	338.11	8.23	-41.60
CCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020269311	1	40	-1.0	-49.88	338.07	8.24	-41.64
CCN(CC)S(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020269312	0	52	-1.0	-49.10	424.34	3.96	-45.14
CCN(CC)S(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020269312	1	52	-1.0	-49.07	424.39	3.98	-45.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020269313	0	47	-1.0	-42.68	381.80	7.74	-34.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020269313	1	47	-1.0	-42.70	381.86	7.75	-34.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020269314	0	44	-1.0	-43.95	349.53	6.74	-37.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020269314	1	44	-1.0	-43.97	349.58	6.75	-37.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020269315	0	42	-1.0	-40.63	353.44	7.06	-33.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020269315	1	42	-1.0	-40.64	353.50	7.07	-33.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020269316	0	39	-1.0	-44.12	328.36	6.39	-37.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020269316	1	39	-1.0	-44.12	328.42	6.41	-37.71
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020269317	0	46	-1.0	-44.46	370.81	9.10	-35.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020269317	1	46	-1.0	-44.46	370.84	9.10	-35.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2OC)C1	REAL300020269318	0	51	-1.0	-42.64	414.77	6.98	-35.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2OC)C1	REAL300020269318	1	51	-1.0	-42.64	414.82	6.99	-35.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2OC)C1	REAL300020269319	0	48	-1.0	-45.15	392.59	6.40	-38.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2OC)C1	REAL300020269319	1	48	-1.0	-45.14	392.64	6.43	-38.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020269320	0	44	-1.0	-41.92	333.89	7.17	-34.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020269320	1	44	-1.0	-41.91	333.95	7.19	-34.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020269321	0	41	-1.0	-44.09	314.61	7.41	-36.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020269321	1	41	-1.0	-44.09	314.55	7.39	-36.70
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020269322	0	48	-1.0	-43.50	367.13	9.31	-34.19
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020269322	1	48	-1.0	-43.50	367.14	9.30	-34.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020269323	0	54	-1.0	-41.89	423.42	6.68	-35.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020269323	1	54	-1.0	-41.90	423.48	6.70	-35.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020269324	0	51	-1.0	-44.86	401.52	6.08	-38.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020269324	1	51	-1.0	-44.89	401.58	6.09	-38.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020269325	0	49	-1.0	-44.12	406.80	9.99	-34.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020269325	1	49	-1.0	-44.10	406.86	10.02	-34.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(OC)C=C2)C1	REAL300020269326	0	51	-1.0	-42.82	411.20	7.00	-35.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(OC)C=C2)C1	REAL300020269326	1	51	-1.0	-42.82	411.26	7.02	-35.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(OC)C=C2)C1	REAL300020269327	0	48	-1.0	-44.55	394.36	6.29	-38.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(OC)C=C2)C1	REAL300020269327	1	48	-1.0	-44.53	394.42	6.30	-38.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020269328	0	43	-1.0	-46.81	351.82	4.33	-42.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020269328	1	43	-1.0	-46.76	351.88	4.35	-42.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020269329	0	40	-1.0	-49.31	332.99	3.67	-45.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020269329	1	40	-1.0	-49.27	333.05	3.70	-45.57
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020269330	0	47	-1.0	-49.12	382.91	6.43	-42.69
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020269330	1	47	-1.0	-49.11	382.94	6.42	-42.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300020269331	0	40	-1.0	-40.44	347.79	7.11	-33.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300020269331	1	40	-1.0	-40.48	347.85	7.12	-33.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300020269332	0	37	-1.0	-42.73	323.03	6.42	-36.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300020269332	1	37	-1.0	-42.75	323.09	6.44	-36.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C3CCC3)=NO2)CC1	REAL300020269333	0	54	-1.0	-41.88	436.63	7.26	-34.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C3CCC3)=NO2)CC1	REAL300020269333	1	54	-1.0	-41.85	436.69	7.28	-34.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C3CCC3)=NO2)CC1	REAL300020269334	0	51	-1.0	-43.54	415.13	6.48	-37.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C3CCC3)=NO2)CC1	REAL300020269334	1	51	-1.0	-43.55	415.19	6.50	-37.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020269335	0	49	-1.0	-41.24	395.33	9.76	-31.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020269335	1	49	-1.0	-41.19	395.38	9.77	-31.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020269336	0	46	-1.0	-42.80	378.30	8.90	-33.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020269336	1	46	-1.0	-42.83	378.36	8.92	-33.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020269337	0	48	-1.0	-50.63	370.52	4.12	-46.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020269337	1	48	-1.0	-50.62	370.58	4.14	-46.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020269338	0	45	-1.0	-53.71	359.41	3.21	-50.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020269338	1	45	-1.0	-53.71	359.46	3.24	-50.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020269339	0	49	-1.0	-44.12	406.80	9.99	-34.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300020269339	1	49	-1.0	-44.10	406.86	10.02	-34.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020269340	0	44	-1.0	-40.33	359.96	7.83	-32.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020269340	1	44	-1.0	-40.36	360.02	7.84	-32.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020269341	0	41	-1.0	-42.24	329.92	6.99	-35.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020269341	1	41	-1.0	-42.19	329.97	7.02	-35.17
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CSCC2C1	REAL300020269342	0	48	-1.0	-44.30	373.57	9.10	-35.20
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CSCC2C1	REAL300020269342	1	48	-1.0	-44.32	373.59	9.09	-35.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(Cl)C=C2)CC1	REAL300020269343	0	49	-1.0	-44.59	404.54	10.29	-34.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(Cl)C=C2)CC1	REAL300020269343	1	49	-1.0	-44.59	404.60	10.32	-34.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020269344	0	45	-1.0	-39.36	379.14	8.30	-31.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020269344	1	45	-1.0	-39.37	379.20	8.31	-31.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020269345	0	42	-1.0	-41.83	356.27	7.70	-34.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020269345	1	42	-1.0	-41.82	356.22	7.66	-34.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020269346	0	49	-1.0	-43.10	381.19	7.59	-35.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020269346	1	49	-1.0	-43.09	381.25	7.61	-35.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020269347	0	46	-1.0	-46.80	365.92	6.54	-40.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020269347	1	46	-1.0	-46.84	365.87	6.54	-40.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020269348	0	49	0.0	-67.12	369.25	7.39	-59.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020269348	1	49	0.0	-66.66	370.08	7.20	-59.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020269348	1	49	0.0	-67.15	369.31	7.40	-59.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020269348	1	49	0.0	-66.65	370.13	7.21	-59.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020269349	0	46	0.0	-70.39	338.01	6.06	-64.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020269349	1	46	0.0	-65.88	356.95	6.74	-59.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020269349	1	46	0.0	-70.35	338.07	6.09	-64.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020269349	1	46	0.0	-65.93	357.00	6.77	-59.16
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020269350	0	53	0.0	-75.55	386.81	8.82	-66.73
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020269350	1	53	0.0	-70.19	406.70	9.51	-60.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020269350	1	53	0.0	-75.54	386.84	8.81	-66.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020269350	1	53	0.0	-70.14	406.74	9.50	-60.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C2=CN(C)C=N2)C1	REAL300020269351	0	49	-1.0	-47.44	405.41	9.15	-38.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C2=CN(C)C=N2)C1	REAL300020269351	1	49	-1.0	-47.46	405.47	9.17	-38.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C2=CN(C)C=N2)C1	REAL300020269352	0	46	-1.0	-49.00	383.89	8.37	-40.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C2=CN(C)C=N2)C1	REAL300020269352	1	46	-1.0	-49.03	383.95	8.39	-40.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020269353	0	49	-1.0	-44.08	393.13	7.40	-36.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020269353	1	49	-1.0	-44.07	393.18	7.42	-36.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020269354	0	46	-1.0	-44.94	383.08	6.87	-38.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020269354	1	46	-1.0	-44.91	383.14	6.90	-38.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020269355	0	48	-1.0	-41.20	386.53	7.22	-33.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020269355	1	48	-1.0	-41.19	386.59	7.23	-33.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020269356	0	45	-1.0	-43.14	368.77	6.55	-36.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020269356	1	45	-1.0	-43.17	368.83	6.58	-36.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2C#N)CC1	REAL300020269357	0	49	-1.0	-46.38	414.93	7.99	-38.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2C#N)CC1	REAL300020269357	1	49	-1.0	-46.36	414.98	8.01	-38.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2C#N)CC1	REAL300020269358	0	46	-1.0	-48.44	393.42	7.21	-41.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2C#N)CC1	REAL300020269358	1	46	-1.0	-48.45	393.48	7.23	-41.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020269359	0	52	-1.0	-41.90	401.48	9.31	-32.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020269359	1	52	-1.0	-41.89	401.54	9.33	-32.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020269360	0	49	-1.0	-43.58	379.40	8.78	-34.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020269360	1	49	-1.0	-43.63	379.46	8.80	-34.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020269361	0	57	0.0	-67.44	422.51	6.64	-60.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020269361	1	57	0.0	-67.45	422.57	6.65	-60.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020269362	0	54	0.0	-67.35	401.51	5.93	-61.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020269362	1	54	0.0	-67.33	401.57	5.95	-61.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020269363	0	48	-1.0	-42.09	401.09	7.44	-34.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020269363	1	48	-1.0	-42.11	401.14	7.46	-34.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020269364	0	45	-1.0	-44.16	376.04	6.76	-37.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020269364	1	45	-1.0	-44.14	376.09	6.79	-37.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020269365	0	45	-1.0	-44.40	371.14	4.87	-39.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020269365	1	45	-1.0	-44.41	371.20	4.89	-39.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020269366	0	42	-1.0	-46.65	349.67	4.09	-42.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020269366	1	42	-1.0	-46.63	349.72	4.12	-42.51
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CCC#N)CC1	REAL300020269367	0	49	-1.0	-46.45	399.49	6.88	-39.57
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CCC#N)CC1	REAL300020269367	1	49	-1.0	-46.42	399.54	6.87	-39.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020269368	0	47	-1.0	-50.56	380.04	6.55	-44.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020269368	1	47	-1.0	-50.58	380.10	6.57	-44.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020269369	0	44	-1.0	-54.09	360.22	5.98	-48.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020269369	1	44	-1.0	-54.11	360.28	6.00	-48.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020269370	0	51	0.0	-65.49	381.39	7.77	-57.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020269370	1	51	0.0	-64.26	376.16	7.28	-56.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020269370	1	51	0.0	-65.56	381.45	7.78	-57.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020269370	1	51	0.0	-64.28	376.22	7.29	-56.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020269371	0	48	0.0	-62.50	361.82	7.08	-55.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020269371	1	48	0.0	-61.82	358.47	6.56	-55.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020269371	1	48	0.0	-62.49	361.88	7.11	-55.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020269371	1	48	0.0	-61.80	358.53	6.59	-55.21
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020269372	0	55	0.0	-71.46	405.30	9.74	-61.72
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020269372	1	55	0.0	-72.43	396.98	9.39	-63.04
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020269372	1	55	0.0	-71.47	405.27	9.75	-61.72
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020269372	1	55	0.0	-72.46	396.96	9.39	-63.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020269373	0	54	-1.0	-44.82	425.08	9.00	-35.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020269373	1	54	-1.0	-44.86	425.13	9.01	-35.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020269374	0	51	-1.0	-45.76	404.17	8.00	-37.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020269374	1	51	-1.0	-45.75	404.23	8.03	-37.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020269375	0	53	-1.0	-40.70	398.02	8.26	-32.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020269375	1	53	-1.0	-40.74	398.08	8.28	-32.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020269376	0	50	-1.0	-41.86	380.52	7.09	-34.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020269376	1	50	-1.0	-41.85	380.57	7.10	-34.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020269377	0	49	-1.0	-41.87	391.20	9.67	-32.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020269377	1	49	-1.0	-41.88	391.26	9.69	-32.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020269378	0	46	-1.0	-42.41	375.95	8.78	-33.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020269378	1	46	-1.0	-42.44	376.01	8.80	-33.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020269379	0	47	-1.0	-43.00	395.18	5.50	-37.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020269379	1	47	-1.0	-42.99	395.24	5.51	-37.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020269380	0	44	-1.0	-47.59	373.66	4.69	-42.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020269380	1	44	-1.0	-47.58	373.71	4.72	-42.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020269381	0	43	-1.0	-40.32	345.71	5.16	-35.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020269381	1	43	-1.0	-40.32	345.76	5.17	-35.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020269382	0	40	-1.0	-44.07	332.61	4.97	-39.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020269382	1	40	-1.0	-44.04	332.67	4.99	-39.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020269383	0	40	-1.0	-45.20	339.28	4.24	-40.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020269383	1	40	-1.0	-45.26	339.34	4.25	-41.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020269384	0	37	-1.0	-49.69	319.31	3.81	-45.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020269384	1	37	-1.0	-49.68	319.37	3.83	-45.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OCC(F)F)C1	REAL300020269385	0	44	-1.0	-46.96	374.42	6.46	-40.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OCC(F)F)C1	REAL300020269385	1	44	-1.0	-46.99	374.46	6.45	-40.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(OC)C=C2OC)CC1	REAL300020269386	0	53	-1.0	-45.77	422.14	5.29	-40.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(OC)C=C2OC)CC1	REAL300020269386	1	53	-1.0	-45.78	422.20	5.31	-40.47
CCOC(=O)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CCO1	REAL300020269387	0	49	-1.0	-45.28	395.14	6.79	-38.49
CCOC(=O)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CCO1	REAL300020269387	1	49	-1.0	-45.29	395.19	6.81	-38.48
CCOC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CCO1	REAL300020269388	0	46	-1.0	-48.44	374.78	5.98	-42.46
CCOC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CCO1	REAL300020269388	1	46	-1.0	-48.44	374.84	6.01	-42.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020269389	0	46	-1.0	-44.56	394.67	9.03	-35.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020269389	1	46	-1.0	-44.57	394.73	9.04	-35.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020269390	0	43	-1.0	-46.49	373.11	8.25	-38.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020269390	1	43	-1.0	-46.50	373.17	8.27	-38.23
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020269391	0	50	-1.0	-46.41	422.84	11.02	-35.39
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020269391	1	50	-1.0	-46.40	422.90	11.01	-35.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020269392	0	39	-1.0	-43.54	337.70	8.26	-35.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020269392	1	39	-1.0	-43.52	337.64	8.25	-35.27
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020269393	0	36	-1.0	-45.37	316.13	7.49	-37.88
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020269393	1	36	-1.0	-45.32	316.08	7.46	-37.86
CCN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020269394	0	43	-1.0	-45.66	366.02	10.22	-35.44
CCN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020269394	1	43	-1.0	-45.78	365.95	10.21	-35.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020269395	0	46	-1.0	-41.68	356.80	3.89	-37.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020269395	1	46	-1.0	-41.68	356.86	3.90	-37.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020269396	0	43	-1.0	-44.22	330.08	3.31	-40.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020269396	1	43	-1.0	-44.26	330.14	3.33	-40.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1C	REAL300020269397	0	50	-1.0	-43.33	379.51	6.06	-37.27
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1C	REAL300020269397	1	50	-1.0	-43.27	379.54	6.05	-37.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020269398	0	55	-1.0	-45.22	420.75	8.33	-36.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020269398	1	55	-1.0	-45.24	420.80	8.34	-36.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020269399	0	52	-1.0	-48.50	396.72	7.77	-40.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020269399	1	52	-1.0	-48.48	396.78	7.79	-40.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020269400	0	44	-1.0	-44.17	350.68	6.38	-37.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020269400	1	44	-1.0	-44.14	350.73	6.40	-37.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020269401	0	41	-1.0	-45.76	342.88	5.99	-39.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020269401	1	41	-1.0	-45.74	342.83	5.96	-39.78
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020269402	0	48	-1.0	-46.22	383.05	8.50	-37.72
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020269402	1	48	-1.0	-46.18	383.09	8.50	-37.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020269403	0	43	-1.0	-45.66	339.30	10.45	-35.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020269403	1	43	-1.0	-45.66	339.36	10.46	-35.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020269404	0	40	-1.0	-48.71	317.27	9.94	-38.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020269404	1	40	-1.0	-48.72	317.22	9.91	-38.81
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020269405	0	47	-1.0	-47.36	371.65	12.54	-34.82
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020269405	1	47	-1.0	-47.32	371.67	12.53	-34.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020269406	0	45	-2.0	-76.91	377.93	2.95	-73.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020269406	1	46	-1.0	-40.68	374.90	4.38	-36.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020269406	1	45	-2.0	-76.90	377.99	2.97	-73.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020269406	1	46	-1.0	-40.68	374.96	4.40	-36.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020269407	0	42	-2.0	-85.94	364.70	2.42	-83.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020269407	1	42	-2.0	-85.93	364.75	2.44	-83.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020269407	1	43	-1.0	-42.54	360.57	3.69	-38.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020269407	1	43	-1.0	-42.55	360.62	3.72	-38.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020269408	0	46	-1.0	-42.52	374.03	8.18	-34.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020269408	1	46	-1.0	-42.53	374.08	8.20	-34.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020269409	0	43	-1.0	-45.01	351.84	7.67	-37.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020269409	1	43	-1.0	-45.05	351.90	7.69	-37.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020269410	0	54	-1.0	-44.82	424.85	8.98	-35.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020269410	1	54	-1.0	-44.87	424.91	9.00	-35.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020269411	0	51	-1.0	-49.06	400.13	8.05	-41.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020269411	1	51	-1.0	-49.08	400.18	8.08	-41.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020269412	0	58	0.0	-59.28	435.88	12.62	-46.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020269412	1	58	0.0	-62.82	434.10	10.39	-52.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020269412	1	58	0.0	-59.31	435.94	12.64	-46.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020269412	1	58	0.0	-62.81	434.15	10.42	-52.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020269413	0	60	0.0	-62.44	435.08	9.08	-53.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020269413	1	60	0.0	-62.50	435.14	9.09	-53.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020269414	0	57	0.0	-64.79	428.18	9.76	-55.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020269414	1	57	0.0	-64.80	428.23	9.78	-55.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020269415	0	52	-1.0	-43.21	419.53	4.39	-38.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020269415	1	52	-1.0	-43.22	419.59	4.40	-38.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020269415	1	53	0.0	-71.47	419.61	6.68	-64.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020269416	0	49	-1.0	-45.64	398.05	3.60	-42.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020269416	1	49	-1.0	-45.65	398.11	3.63	-42.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020269416	1	50	0.0	-69.00	388.09	6.24	-62.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020269417	0	40	-1.0	-39.09	336.36	6.75	-32.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020269417	1	40	-1.0	-39.08	336.42	6.76	-32.32
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS[C@H](C)C1	REAL300020269418	0	44	-1.0	-41.38	360.78	8.61	-32.77
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS[C@H](C)C1	REAL300020269418	1	44	-1.0	-41.43	360.81	8.60	-32.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020269419	0	42	-1.0	-41.44	342.73	4.95	-36.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020269419	1	42	-1.0	-41.42	342.79	4.97	-36.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020269420	0	39	-1.0	-43.67	317.69	4.42	-39.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020269420	1	39	-1.0	-43.68	317.74	4.45	-39.23
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020269421	0	46	-1.0	-41.93	372.86	7.09	-34.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020269421	1	46	-1.0	-41.92	372.89	7.07	-34.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C(=O)OC)=C2)CC1	REAL300020269422	0	48	-1.0	-45.18	405.61	6.97	-38.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C(=O)OC)=C2)CC1	REAL300020269422	1	48	-1.0	-45.21	405.67	6.99	-38.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2OC)CC1	REAL300020269423	0	56	-1.0	-42.68	421.84	9.25	-33.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2OC)CC1	REAL300020269423	1	56	-1.0	-42.70	421.90	9.27	-33.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2OC)CC1	REAL300020269424	0	53	-1.0	-45.66	405.26	8.62	-37.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2OC)CC1	REAL300020269424	1	53	-1.0	-45.69	405.32	8.64	-37.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020269425	0	47	-1.0	-42.05	372.62	6.37	-35.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020269425	1	47	-1.0	-42.05	372.68	6.39	-35.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020269425	1	48	0.0	-59.48	373.28	5.53	-53.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020269426	0	44	-1.0	-44.89	350.05	5.76	-39.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020269426	1	44	-1.0	-44.94	350.11	5.77	-39.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020269426	1	45	0.0	-57.56	351.79	4.75	-52.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCOCC1	REAL300020269427	0	50	-1.0	-42.64	372.05	4.81	-37.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCOCC1	REAL300020269427	1	50	-1.0	-42.65	372.11	4.83	-37.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCOCC1	REAL300020269428	0	47	-1.0	-44.75	359.30	3.61	-41.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCOCC1	REAL300020269428	1	47	-1.0	-44.72	359.36	3.62	-41.10
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)C1CCOCC1	REAL300020269429	0	54	-1.0	-44.39	408.05	7.04	-37.35
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)C1CCOCC1	REAL300020269429	1	54	-1.0	-44.33	408.08	7.03	-37.30
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020269430	0	42	-1.0	-43.16	337.71	8.10	-35.06
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020269430	1	42	-1.0	-43.13	337.75	8.10	-35.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020269431	0	50	-1.0	-41.62	381.66	6.90	-34.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020269431	1	50	-1.0	-41.61	381.72	6.92	-34.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020269432	0	47	-1.0	-44.73	356.11	6.18	-38.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020269432	1	47	-1.0	-44.77	356.16	6.20	-38.57
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020269433	0	54	-1.0	-44.57	397.84	8.99	-35.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020269433	1	54	-1.0	-44.55	397.88	8.98	-35.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020269434	0	47	-1.0	-40.44	368.75	8.84	-31.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020269434	1	47	-1.0	-40.46	368.80	8.86	-31.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020269435	0	44	-1.0	-45.12	345.16	8.42	-36.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020269435	1	44	-1.0	-45.12	345.10	8.39	-36.73
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020269436	0	51	-1.0	-44.38	393.48	11.02	-33.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020269436	1	51	-1.0	-44.31	393.50	11.01	-33.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020269437	0	52	-1.0	-42.82	409.63	6.45	-36.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020269437	1	52	-1.0	-42.84	409.69	6.46	-36.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020269438	0	49	-1.0	-44.12	391.88	5.78	-38.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020269438	1	49	-1.0	-44.18	391.93	5.81	-38.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020269439	0	48	-1.0	-42.34	375.12	5.18	-37.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020269439	1	48	-1.0	-42.32	375.18	5.19	-37.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020269440	0	45	-1.0	-45.36	349.56	4.46	-40.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020269440	1	45	-1.0	-45.30	349.61	4.47	-40.83
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020269441	0	52	-1.0	-44.04	403.54	7.20	-36.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020269441	1	52	-1.0	-43.97	403.59	7.19	-36.78
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020269442	0	44	-1.0	-40.21	350.85	7.70	-32.51
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020269442	1	44	-1.0	-40.22	350.91	7.72	-32.50
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020269443	0	41	-1.0	-42.92	333.17	7.07	-35.85
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020269443	1	41	-1.0	-42.91	333.12	7.04	-35.87
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020269444	0	48	-1.0	-43.43	375.61	10.06	-33.37
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020269444	1	48	-1.0	-43.41	375.65	10.05	-33.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020269445	0	50	-1.0	-41.81	396.67	4.15	-37.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020269445	1	50	-1.0	-41.79	396.73	4.17	-37.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020269446	0	47	-1.0	-44.94	375.25	3.40	-41.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020269446	1	47	-1.0	-45.02	375.19	3.37	-41.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CCC(C)(C)C	REAL300020269447	0	60	-1.0	-41.48	461.47	11.13	-30.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CCC(C)(C)C	REAL300020269447	1	60	-1.0	-41.49	461.53	11.14	-30.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CCC(C)(C)C	REAL300020269448	0	57	-1.0	-45.58	440.00	10.20	-35.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CCC(C)(C)C	REAL300020269448	1	57	-1.0	-45.62	440.05	10.23	-35.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020269449	0	56	-1.0	-41.61	403.77	8.04	-33.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020269449	1	56	-1.0	-41.61	403.83	8.05	-33.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020269450	0	53	-1.0	-43.64	392.70	7.32	-36.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020269450	1	53	-1.0	-43.64	392.75	7.34	-36.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020269451	0	38	-1.0	-40.42	337.08	5.64	-34.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020269451	1	38	-1.0	-40.44	337.14	5.66	-34.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020269452	0	35	-1.0	-42.03	315.64	4.88	-37.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020269452	1	35	-1.0	-42.04	315.58	4.86	-37.18
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=NS1	REAL300020269453	0	42	-1.0	-43.78	357.83	7.72	-36.06
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=NS1	REAL300020269453	1	42	-1.0	-43.74	357.87	7.71	-36.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020269454	0	43	-1.0	-42.38	347.15	8.11	-34.27
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020269454	1	43	-1.0	-42.34	347.18	8.10	-34.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C(F)(F)F	REAL300020269455	0	46	-1.0	-38.04	369.61	7.74	-30.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C(F)(F)F	REAL300020269455	1	46	-1.0	-38.08	369.66	7.77	-30.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020269456	0	43	-1.0	-41.39	351.30	4.96	-36.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020269456	1	43	-1.0	-41.44	351.36	4.98	-36.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020269457	0	40	-1.0	-41.33	336.42	4.30	-37.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020269457	1	40	-1.0	-41.33	336.48	4.33	-37.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020269458	0	42	-1.0	-39.67	342.19	7.08	-32.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020269458	1	42	-1.0	-39.64	342.25	7.09	-32.55
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020269459	0	46	-1.0	-45.80	359.22	8.95	-36.85
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020269459	1	46	-1.0	-45.80	359.20	8.95	-36.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020269460	0	43	-1.0	-41.98	346.16	8.42	-33.56
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020269460	1	43	-1.0	-41.90	346.20	8.41	-33.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020269461	0	47	-1.0	-47.93	370.20	5.67	-42.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020269461	1	47	-1.0	-47.89	370.26	5.68	-42.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020269462	0	44	-1.0	-56.33	341.72	4.81	-51.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020269462	1	44	-1.0	-56.34	341.78	4.83	-51.51
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020269463	0	51	-1.0	-50.03	398.61	7.64	-42.39
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020269463	1	51	-1.0	-50.03	398.64	7.63	-42.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020269464	0	42	-1.0	-44.79	351.30	6.01	-38.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020269464	1	42	-1.0	-44.83	351.36	6.03	-38.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020269465	0	39	-1.0	-46.30	339.13	5.49	-40.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020269465	1	39	-1.0	-46.30	339.19	5.50	-40.80
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020269466	0	46	-1.0	-46.30	384.52	8.14	-38.16
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020269466	1	46	-1.0	-46.32	384.57	8.13	-38.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020269467	0	61	0.0	-68.37	460.55	8.48	-59.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCCOC(C)(C)C)CC1	REAL300020269467	1	60	-1.0	-41.38	461.62	6.32	-35.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCCOC(C)(C)C)CC1	REAL300020269467	1	60	-1.0	-41.32	461.68	6.33	-34.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020269468	0	58	0.0	-67.59	438.68	7.85	-59.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCCOC(C)(C)C)CC1	REAL300020269468	1	58	0.0	-67.58	438.74	7.86	-59.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCCOC(C)(C)C)CC1	REAL300020269468	1	57	-1.0	-43.41	440.15	5.54	-37.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCCOC(C)(C)C)CC1	REAL300020269468	1	57	-1.0	-43.40	440.21	5.56	-37.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020269469	0	52	-1.0	-40.55	407.24	10.17	-30.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020269469	1	52	-1.0	-40.54	407.30	10.18	-30.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020269470	0	49	-1.0	-43.34	390.19	9.49	-33.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020269470	1	49	-1.0	-43.34	390.25	9.52	-33.82
CCC1=CC=C(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CC2)C=C1	REAL300020269471	0	57	-1.0	-40.52	451.33	8.59	-31.93
CCC1=CC=C(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020269471	1	58	0.0	-69.38	442.14	10.90	-58.48
CCC1=CC=C(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020269471	1	57	-1.0	-40.53	451.39	8.60	-31.93
CCC1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)C=C1	REAL300020269472	0	54	-1.0	-42.56	429.85	7.80	-34.76
CCC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020269472	1	55	0.0	-67.92	428.85	10.23	-57.69
CCC1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)C=C1	REAL300020269472	1	54	-1.0	-42.56	429.91	7.83	-34.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020269473	0	43	-1.0	-41.10	360.50	8.51	-32.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020269473	1	43	-1.0	-41.12	360.56	8.52	-32.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020269474	0	40	-1.0	-46.39	331.82	6.69	-39.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020269474	1	40	-1.0	-46.42	331.87	6.71	-39.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020269475	0	49	-1.0	-40.41	375.62	8.51	-31.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020269475	1	49	-1.0	-40.46	375.67	8.53	-31.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020269476	0	46	-1.0	-43.07	353.66	7.77	-35.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020269476	1	46	-1.0	-43.06	353.60	7.76	-35.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300020269477	0	52	-1.0	-42.24	415.06	7.27	-34.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300020269477	1	52	-1.0	-42.25	415.11	7.28	-34.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300020269478	0	49	-1.0	-44.19	382.42	6.69	-37.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300020269478	1	49	-1.0	-44.18	382.47	6.71	-37.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020269479	0	55	0.0	-64.63	423.04	10.11	-54.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020269479	1	54	-1.0	-41.04	414.51	8.16	-32.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020269479	1	54	-1.0	-41.06	414.57	8.18	-32.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020269480	0	52	0.0	-62.60	401.23	9.49	-53.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020269480	1	51	-1.0	-42.90	404.27	7.49	-35.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020269480	1	51	-1.0	-42.90	404.32	7.52	-35.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	REAL300020269481	0	56	0.0	-73.75	407.06	4.93	-68.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1OC	REAL300020269482	0	47	-1.0	-41.66	360.54	3.62	-38.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1OC	REAL300020269482	1	47	-1.0	-41.71	360.60	3.63	-38.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1OC	REAL300020269483	0	44	-1.0	-44.48	333.64	3.22	-41.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1OC	REAL300020269483	1	44	-1.0	-44.49	333.70	3.22	-41.27
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOCC1OC	REAL300020269484	0	51	-1.0	-44.01	390.89	5.96	-38.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOCC1OC	REAL300020269484	1	51	-1.0	-44.03	390.95	5.95	-38.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020269485	0	61	0.0	-65.97	415.32	9.14	-56.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020269485	1	61	0.0	-66.00	415.38	9.15	-56.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020269486	0	58	0.0	-63.30	403.11	8.63	-54.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020269486	1	58	0.0	-63.30	403.17	8.66	-54.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020269487	0	48	0.0	-64.66	356.73	7.23	-57.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020269487	1	48	0.0	-63.31	358.03	7.21	-56.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020269487	1	47	-1.0	-40.36	356.41	4.93	-35.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020269487	1	47	-1.0	-40.36	356.46	4.95	-35.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020269488	0	45	0.0	-61.34	337.84	6.36	-54.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020269488	1	45	0.0	-66.41	320.79	5.99	-60.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020269488	1	45	0.0	-61.35	337.79	6.34	-55.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020269488	1	45	0.0	-66.37	320.74	5.98	-60.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020269488	1	44	-1.0	-43.02	336.23	4.16	-38.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020269489	0	52	0.0	-69.63	386.87	9.26	-60.37
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020269489	1	52	0.0	-74.13	375.58	8.56	-65.57
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020269489	1	51	-1.0	-43.08	377.68	6.86	-36.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020269490	0	49	-1.0	-42.61	383.24	7.35	-35.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020269490	1	49	-1.0	-42.58	383.30	7.37	-35.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020269491	0	46	-1.0	-46.09	360.40	6.54	-39.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020269491	1	46	-1.0	-46.11	360.46	6.57	-39.54
CCCCCCCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269492	0	62	-1.0	-39.37	485.88	11.88	-27.49
CCCCCCCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269492	1	62	-1.0	-39.37	485.94	11.89	-27.48
CCCCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020269493	0	59	-1.0	-41.57	451.05	11.35	-30.22
CCCCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020269493	1	59	-1.0	-41.60	451.11	11.37	-30.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300020269494	0	59	0.0	-70.82	441.42	8.34	-62.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300020269494	1	59	0.0	-71.61	435.04	8.37	-63.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300020269494	1	59	0.0	-70.87	441.48	8.37	-62.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300020269494	1	59	0.0	-71.62	435.10	8.38	-63.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1Br	REAL300020269495	0	39	-1.0	-39.81	352.11	6.96	-32.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1Br	REAL300020269495	1	39	-1.0	-39.80	352.16	6.97	-32.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1Br	REAL300020269496	0	36	-1.0	-42.75	323.03	6.32	-36.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1Br	REAL300020269496	1	36	-1.0	-42.71	323.07	6.35	-36.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020269497	0	49	-1.0	-47.10	401.00	8.13	-38.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020269497	1	49	-1.0	-47.10	401.05	8.14	-38.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020269498	0	46	-1.0	-48.25	375.56	7.38	-40.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020269498	1	46	-1.0	-48.22	375.62	7.40	-40.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020269499	0	58	0.0	-60.29	413.82	10.36	-49.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020269499	1	58	0.0	-61.42	438.44	11.06	-50.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020269499	1	58	0.0	-60.30	413.88	10.38	-49.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020269499	1	58	0.0	-61.50	438.50	11.09	-50.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020269500	0	44	-1.0	-51.73	379.84	5.06	-46.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020269500	1	44	-1.0	-51.74	379.90	5.07	-46.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020269501	0	41	-1.0	-54.85	355.10	4.24	-50.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020269501	1	41	-1.0	-54.85	355.04	4.21	-50.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020269502	0	43	-1.0	-40.90	358.25	7.50	-33.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020269502	1	43	-1.0	-40.93	358.30	7.52	-33.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020269503	0	40	-1.0	-42.14	340.23	6.85	-35.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020269503	1	40	-1.0	-42.12	340.17	6.82	-35.30
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020269504	0	47	-1.0	-42.65	389.27	9.77	-32.88
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020269504	1	47	-1.0	-42.67	389.19	9.76	-32.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020269505	0	51	-1.0	-45.97	410.12	8.39	-37.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020269505	1	51	-1.0	-45.99	410.17	8.41	-37.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020269506	0	48	-1.0	-49.34	389.24	7.41	-41.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020269506	1	48	-1.0	-49.37	389.30	7.43	-41.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CN(C2=CC=CC=C2)C(=O)O1	REAL300020269507	0	51	-1.0	-49.18	416.67	7.90	-41.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CN(C2=CC=CC=C2)C(=O)O1	REAL300020269507	1	51	-1.0	-49.21	416.73	7.91	-41.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CN(C2=CC=CC=C2)C(=O)O1	REAL300020269508	0	48	-1.0	-50.59	395.09	7.26	-43.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CN(C2=CC=CC=C2)C(=O)O1	REAL300020269508	1	48	-1.0	-50.61	395.15	7.28	-43.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020269509	0	47	-1.0	-51.91	371.63	4.42	-47.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020269509	1	47	-1.0	-51.90	371.69	4.44	-47.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020269510	0	44	-1.0	-51.85	358.39	3.75	-48.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020269510	1	44	-1.0	-51.83	358.44	3.78	-48.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020269511	0	51	-1.0	-41.01	399.68	6.72	-34.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020269511	1	51	-1.0	-41.03	399.74	6.73	-34.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020269512	0	48	-1.0	-43.57	379.43	6.19	-37.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020269512	1	48	-1.0	-43.54	379.49	6.22	-37.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020269513	0	40	-1.0	-45.37	324.82	2.66	-42.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020269513	1	40	-1.0	-45.35	324.88	2.67	-42.68
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020269514	0	44	-1.0	-45.31	351.61	4.84	-40.47
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020269514	1	44	-1.0	-45.26	351.68	4.83	-40.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020269515	0	41	-1.0	-41.70	318.56	4.35	-37.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020269515	1	41	-1.0	-41.69	318.62	4.36	-37.33
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020269516	0	45	-1.0	-43.76	348.37	6.29	-37.47
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020269516	1	45	-1.0	-43.79	348.40	6.28	-37.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020269517	0	49	-1.0	-41.28	399.50	9.67	-31.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020269517	1	49	-1.0	-41.29	399.56	9.68	-31.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020269518	0	46	-1.0	-43.33	378.00	8.88	-34.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020269518	1	46	-1.0	-43.32	378.05	8.91	-34.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020269519	0	47	-1.0	-46.44	385.73	5.53	-40.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020269519	1	47	-1.0	-46.41	385.78	5.54	-40.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020269520	0	44	-1.0	-48.03	364.22	4.74	-43.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020269520	1	44	-1.0	-48.05	364.28	4.77	-43.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020269521	0	47	-1.0	-51.37	358.20	4.09	-47.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020269521	1	47	-1.0	-51.37	358.26	4.10	-47.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020269522	0	44	-1.0	-53.81	347.87	3.36	-50.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020269522	1	44	-1.0	-53.78	347.93	3.39	-50.39
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020269523	0	51	-1.0	-52.25	397.99	6.15	-46.10
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020269523	1	51	-1.0	-52.12	398.03	6.14	-45.98
CCOC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C[C@H]1C(F)(F)F	REAL300020269524	0	45	-1.0	-42.29	383.85	7.19	-35.10
CCOC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C[C@H]1C(F)(F)F	REAL300020269524	1	45	-1.0	-42.32	383.85	7.21	-35.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020269525	0	49	-1.0	-45.67	407.51	4.29	-41.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020269525	1	49	-1.0	-45.70	407.57	4.30	-41.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020269526	0	46	-1.0	-46.94	389.76	3.62	-43.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020269526	1	46	-1.0	-46.97	389.82	3.65	-43.32
CCC(C1=CC=C(F)C=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020269527	0	54	-1.0	-43.35	424.16	7.81	-35.54
CCC(C1=CC=C(F)C=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020269527	1	54	-1.0	-43.35	424.21	7.83	-35.52
CCC(C1=CC=C(F)C=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020269527	1	55	0.0	-67.50	410.82	10.25	-57.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(Cl)C=N2)CC1	REAL300020269528	0	46	-1.0	-43.36	397.36	6.04	-37.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(Cl)C=N2)CC1	REAL300020269528	1	46	-1.0	-43.40	397.30	6.01	-37.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020269529	0	47	-1.0	-42.34	381.80	7.85	-34.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020269529	1	47	-1.0	-42.32	381.86	7.87	-34.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020269530	0	44	-1.0	-42.63	354.93	7.19	-35.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020269530	1	44	-1.0	-42.61	354.99	7.21	-35.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020269531	0	55	-1.0	-43.75	436.28	8.14	-35.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020269531	1	55	-1.0	-44.09	417.35	7.32	-36.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020269531	1	55	-1.0	-43.74	436.34	8.15	-35.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020269531	1	55	-1.0	-44.10	417.41	7.34	-36.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020269532	0	52	-1.0	-45.13	414.79	7.35	-37.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020269532	1	52	-1.0	-46.03	414.92	7.35	-38.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020269532	1	52	-1.0	-45.13	414.85	7.38	-37.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020269532	1	52	-1.0	-46.03	414.98	7.37	-38.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020269533	0	52	-1.0	-42.03	400.92	4.77	-37.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020269533	1	52	-1.0	-42.00	400.97	4.79	-37.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020269534	0	49	-1.0	-46.35	393.16	4.58	-41.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020269534	1	49	-1.0	-46.36	393.22	4.60	-41.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020269535	0	47	-1.0	-48.41	381.76	5.49	-42.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020269535	1	47	-1.0	-48.38	381.81	5.51	-42.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020269536	0	44	-1.0	-48.18	360.26	4.71	-43.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020269536	1	44	-1.0	-48.21	360.31	4.73	-43.48
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020269537	0	51	-1.0	-49.04	410.74	7.36	-41.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020269537	1	51	-1.0	-48.98	410.78	7.35	-41.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020269538	0	42	-1.0	-40.33	345.29	6.86	-33.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020269538	1	42	-1.0	-40.37	345.35	6.88	-33.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020269539	0	39	-1.0	-43.78	318.38	6.19	-37.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020269539	1	39	-1.0	-43.76	318.44	6.22	-37.54
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020269540	0	46	-1.0	-42.70	373.79	8.85	-33.85
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020269540	1	46	-1.0	-42.68	373.81	8.84	-33.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020269541	0	46	-1.0	-42.31	359.82	7.76	-34.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020269541	1	46	-1.0	-42.32	359.88	7.78	-34.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020269542	0	43	-1.0	-43.54	335.01	7.47	-36.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020269542	1	43	-1.0	-43.58	334.95	7.45	-36.13
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020269543	0	50	-1.0	-44.20	387.97	9.78	-34.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020269543	1	50	-1.0	-44.18	388.01	9.77	-34.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020269544	0	48	-1.0	-44.81	400.46	5.57	-39.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020269544	1	48	-1.0	-44.79	400.40	5.56	-39.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020269545	0	45	-1.0	-45.87	378.25	5.00	-40.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020269545	1	45	-1.0	-45.83	378.20	4.98	-40.85
CCOC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC12COC2	REAL300020269546	0	50	-1.0	-45.16	401.29	5.87	-39.29
CCOC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC12COC2	REAL300020269546	1	50	-1.0	-45.16	401.35	5.89	-39.27
CCOC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC12COC2	REAL300020269547	0	47	-1.0	-49.08	380.12	5.11	-43.97
CCOC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC12COC2	REAL300020269547	1	47	-1.0	-49.07	380.18	5.13	-43.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020269548	0	46	-1.0	-49.18	370.59	3.81	-45.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020269548	1	46	-1.0	-49.14	370.64	3.82	-45.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020269549	0	43	-1.0	-51.60	354.17	3.21	-48.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020269549	1	43	-1.0	-51.60	354.23	3.23	-48.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020269550	0	45	-1.0	-41.45	377.58	6.56	-34.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020269550	1	45	-1.0	-41.43	377.64	6.58	-34.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020269551	0	42	-1.0	-45.67	353.51	5.95	-39.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020269551	1	42	-1.0	-45.70	353.57	5.97	-39.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020269552	0	49	-1.0	-47.16	378.67	3.55	-43.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020269552	1	49	-1.0	-47.18	378.73	3.57	-43.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020269553	0	46	-1.0	-47.87	356.58	3.01	-44.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020269553	1	46	-1.0	-47.87	356.63	3.03	-44.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020269554	0	45	-1.0	-50.01	371.33	1.47	-48.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020269554	1	45	-1.0	-50.03	371.39	1.48	-48.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020269555	0	42	-1.0	-53.35	354.00	0.83	-52.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020269555	1	42	-1.0	-53.39	354.06	0.85	-52.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020269556	0	40	-1.0	-43.51	339.74	4.72	-38.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020269556	1	40	-1.0	-43.47	339.80	4.73	-38.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020269557	0	37	-1.0	-42.65	318.92	3.94	-38.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020269557	1	37	-1.0	-42.66	318.98	3.97	-38.69
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(F)F)C1	REAL300020269558	0	44	-1.0	-42.67	367.78	6.68	-35.99
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(F)F)C1	REAL300020269558	1	44	-1.0	-42.60	367.79	6.68	-35.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020269559	0	43	-1.0	-50.95	350.14	3.00	-47.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020269559	1	43	-1.0	-50.96	350.20	3.01	-47.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020269560	0	40	-1.0	-54.51	327.90	2.46	-52.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020269560	1	40	-1.0	-54.52	327.96	2.49	-52.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020269561	0	58	0.0	-64.42	413.39	9.07	-55.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020269561	1	58	0.0	-64.43	413.45	9.08	-55.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020269562	0	55	0.0	-63.30	394.81	8.39	-54.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020269562	1	55	0.0	-63.24	394.87	8.42	-54.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020269563	0	44	-1.0	-43.30	355.53	6.71	-36.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020269563	1	44	-1.0	-43.32	355.59	6.73	-36.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020269564	0	41	-1.0	-47.05	333.97	6.12	-40.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020269564	1	41	-1.0	-47.00	334.02	6.13	-40.87
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020269565	0	48	-1.0	-47.05	375.86	8.70	-38.35
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020269565	1	48	-1.0	-46.99	375.90	8.69	-38.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020269566	0	56	0.0	-69.86	420.65	10.58	-59.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020269566	1	56	0.0	-70.30	423.76	10.17	-60.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020269566	1	56	0.0	-69.86	420.70	10.59	-59.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1	REAL300020269566	1	56	0.0	-70.32	423.82	10.20	-60.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020269567	0	45	-1.0	-39.37	382.34	8.40	-30.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020269567	1	45	-1.0	-39.37	382.40	8.42	-30.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020269568	0	42	-1.0	-41.62	364.64	7.77	-33.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020269568	1	42	-1.0	-41.60	364.58	7.75	-33.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020269569	0	44	-1.0	-47.39	359.31	6.80	-40.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020269569	1	44	-1.0	-47.37	359.36	6.81	-40.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020269570	0	41	-1.0	-50.91	335.02	5.94	-44.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020269570	1	41	-1.0	-50.93	335.08	5.96	-44.97
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020269571	0	48	-1.0	-50.12	377.47	8.67	-41.45
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020269571	1	48	-1.0	-50.07	377.51	8.66	-41.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020269572	0	49	-1.0	-40.67	372.35	4.43	-36.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020269572	1	49	-1.0	-40.57	372.40	4.44	-36.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020269573	0	46	-1.0	-44.85	357.09	4.01	-40.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020269573	1	46	-1.0	-44.85	357.15	4.04	-40.81
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020269574	0	53	-1.0	-43.99	392.32	6.61	-37.38
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020269574	1	53	-1.0	-44.01	392.34	6.60	-37.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020269575	0	50	-1.0	-40.43	365.91	9.50	-30.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020269575	1	50	-1.0	-40.42	365.97	9.52	-30.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020269576	0	47	-1.0	-41.20	351.52	8.89	-32.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020269576	1	47	-1.0	-41.26	351.59	8.91	-32.35
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020269577	0	54	-1.0	-42.21	398.84	11.61	-30.60
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020269577	1	54	-1.0	-42.22	398.86	11.60	-30.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020269578	0	44	-1.0	-42.56	360.38	1.96	-40.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020269578	1	44	-1.0	-42.55	360.44	1.97	-40.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020269579	0	41	-1.0	-44.98	338.18	1.39	-43.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020269579	1	41	-1.0	-45.05	338.24	1.42	-43.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCO)C1	REAL300020269580	0	48	-1.0	-45.26	381.87	4.08	-41.18
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCO)C1	REAL300020269580	1	48	-1.0	-45.29	381.91	4.07	-41.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020269581	0	47	-1.0	-42.86	367.47	2.02	-40.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020269581	1	47	-1.0	-42.86	367.53	2.03	-40.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020269582	0	44	-1.0	-44.74	342.69	1.30	-43.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020269582	1	44	-1.0	-44.75	342.75	1.32	-43.43
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020269583	0	51	-1.0	-45.04	385.14	4.03	-41.01
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020269583	1	51	-1.0	-45.04	385.18	4.02	-41.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020269584	0	50	-1.0	-48.36	399.66	6.18	-42.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020269584	1	50	-1.0	-48.38	399.71	6.20	-42.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020269585	0	47	-1.0	-49.80	377.25	5.33	-44.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020269585	1	47	-1.0	-49.80	377.31	5.36	-44.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020269586	0	41	-1.0	-43.54	333.45	6.51	-37.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020269586	1	41	-1.0	-43.55	333.51	6.52	-37.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020269587	0	45	-1.0	-44.81	360.90	9.07	-35.74
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020269587	1	45	-1.0	-44.85	360.98	9.05	-35.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020269588	0	49	-1.0	-44.44	397.62	7.34	-37.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020269588	1	49	-1.0	-44.42	397.68	7.35	-37.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020269589	0	46	-1.0	-46.63	375.01	6.72	-39.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020269589	1	46	-1.0	-46.63	375.06	6.75	-39.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020269590	0	40	-1.0	-44.10	332.46	6.32	-37.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020269590	1	40	-1.0	-44.15	332.52	6.33	-37.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020269591	0	44	-1.0	-47.84	352.42	8.49	-39.35
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020269591	1	44	-1.0	-47.92	352.46	8.48	-39.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020269592	0	47	-1.0	-42.45	356.68	6.13	-36.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020269592	1	47	-1.0	-42.52	356.74	6.15	-36.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020269593	0	44	-1.0	-46.03	336.90	5.34	-40.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020269593	1	44	-1.0	-46.06	336.96	5.36	-40.70
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020269594	0	51	-1.0	-46.13	391.51	7.99	-38.14
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020269594	1	51	-1.0	-46.11	391.54	7.98	-38.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020269595	0	40	-1.0	-44.67	336.36	6.80	-37.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020269595	1	40	-1.0	-44.70	336.42	6.82	-37.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020269596	0	37	-1.0	-47.00	313.24	5.83	-41.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020269596	1	37	-1.0	-46.97	313.30	5.85	-41.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020269597	0	49	-1.0	-40.99	388.00	9.79	-31.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020269597	1	49	-1.0	-40.98	388.06	9.81	-31.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020269598	0	46	-1.0	-45.87	366.18	9.32	-36.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020269598	1	46	-1.0	-45.93	366.12	9.30	-36.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020269599	0	46	-1.0	-43.79	370.38	8.56	-35.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020269599	1	46	-1.0	-43.76	370.43	8.58	-35.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020269600	0	43	-1.0	-47.30	352.42	8.17	-39.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020269600	1	43	-1.0	-47.26	352.48	8.20	-39.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020269601	0	44	-1.0	-43.81	356.21	3.23	-40.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020269601	1	44	-1.0	-43.80	356.27	3.25	-40.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020269602	0	41	-1.0	-45.47	331.12	2.54	-42.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020269602	1	41	-1.0	-45.48	331.18	2.56	-42.92
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020269603	0	48	-1.0	-45.80	389.46	5.37	-40.43
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020269603	1	48	-1.0	-45.83	389.49	5.36	-40.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020269604	0	41	-1.0	-41.23	318.77	4.63	-36.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020269604	1	41	-1.0	-41.19	318.83	4.64	-36.55
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020269605	0	45	-1.0	-42.75	352.15	6.75	-36.00
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020269605	1	45	-1.0	-42.66	352.20	6.75	-35.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020269606	0	43	-1.0	-44.37	338.24	7.03	-37.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020269606	1	43	-1.0	-44.37	338.30	7.05	-37.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020269607	0	40	-1.0	-46.97	311.25	6.34	-40.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020269607	1	40	-1.0	-46.96	311.31	6.35	-40.61
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020269608	0	47	-1.0	-46.22	365.83	9.00	-37.22
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020269608	1	47	-1.0	-46.17	365.84	8.99	-37.18
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C[C@@H]1CC	REAL300020269609	0	51	-1.0	-40.18	411.74	8.19	-31.99
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C[C@@H]1CC	REAL300020269609	1	51	-1.0	-40.21	411.80	8.20	-32.01
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C[C@@H]1CC	REAL300020269610	0	48	-1.0	-43.24	384.83	7.50	-35.74
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C[C@@H]1CC	REAL300020269610	1	48	-1.0	-43.26	384.88	7.53	-35.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020269611	0	51	-1.0	-42.89	395.56	7.69	-35.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020269611	1	51	-1.0	-42.83	395.61	7.71	-35.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020269612	0	48	-1.0	-45.81	368.40	6.89	-38.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020269612	1	48	-1.0	-45.75	368.45	6.91	-38.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)C=C1C	REAL300020269613	0	55	-1.0	-39.59	434.56	8.84	-30.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)C=C1C	REAL300020269613	1	55	-1.0	-39.58	434.62	8.86	-30.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)C=C1C	REAL300020269614	0	52	-1.0	-41.60	418.45	8.20	-33.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)C=C1C	REAL300020269614	1	52	-1.0	-41.56	418.51	8.22	-33.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020269615	0	43	-1.0	-40.72	359.72	7.52	-33.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020269615	1	43	-1.0	-40.76	359.78	7.54	-33.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020269616	0	40	-1.0	-43.98	332.78	6.84	-37.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020269616	1	40	-1.0	-43.96	332.83	6.87	-37.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020269617	0	41	-1.0	-41.54	328.82	6.61	-34.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020269617	1	41	-1.0	-41.59	328.87	6.62	-34.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020269618	0	38	-1.0	-44.06	306.72	6.07	-37.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020269618	1	38	-1.0	-44.06	306.78	6.10	-37.96
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020269619	0	45	-1.0	-43.48	362.01	8.73	-34.75
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020269619	1	45	-1.0	-43.48	362.04	8.72	-34.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020269620	0	56	-1.0	-41.47	437.83	5.88	-35.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020269620	1	56	-1.0	-41.53	437.89	5.89	-35.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020269621	0	53	-1.0	-43.18	415.09	5.36	-37.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020269621	1	53	-1.0	-43.21	415.15	5.39	-37.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(NC(=O)OC(C)(C)C)C(C)(C)C1	REAL300020269622	0	56	-1.0	-44.82	425.59	6.13	-38.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(NC(=O)OC(C)(C)C)C(C)(C)C1	REAL300020269622	1	56	-1.0	-44.84	425.64	6.15	-38.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020269623	0	44	-1.0	-46.78	358.29	4.16	-42.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020269623	1	44	-1.0	-46.80	358.35	4.17	-42.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020269624	0	41	-1.0	-47.55	346.12	3.62	-43.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020269624	1	41	-1.0	-47.60	346.18	3.64	-43.96
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020269625	0	48	-1.0	-48.34	391.54	6.29	-42.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020269625	1	48	-1.0	-48.41	391.57	6.28	-42.13
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)C[C@@H]21	REAL300020269626	0	49	-1.0	-43.82	385.44	8.33	-35.49
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)C[C@@H]21	REAL300020269626	1	49	-1.0	-43.81	385.50	8.34	-35.47
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)C[C@@H]21	REAL300020269627	0	46	-1.0	-46.16	364.35	7.51	-38.65
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)C[C@@H]21	REAL300020269627	1	46	-1.0	-46.17	364.41	7.52	-38.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(N3CCCC3=O)=CC=C21	REAL300020269628	0	51	-1.0	-48.90	396.40	10.95	-37.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(N3CCCC3=O)=CC=C21	REAL300020269628	1	51	-1.0	-48.86	396.46	10.96	-37.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(N3CCCC3=O)=CC=C21	REAL300020269629	0	48	-1.0	-51.57	374.33	10.43	-41.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(N3CCCC3=O)=CC=C21	REAL300020269629	1	48	-1.0	-51.53	374.26	10.41	-41.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020269630	0	40	-1.0	-40.10	334.73	6.26	-33.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020269630	1	40	-1.0	-40.11	334.79	6.28	-33.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020269631	0	37	-1.0	-42.63	318.11	5.61	-37.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020269631	1	37	-1.0	-42.66	318.17	5.64	-37.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020269632	0	48	-1.0	-44.85	399.87	7.31	-37.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020269632	1	48	-1.0	-44.84	399.93	7.32	-37.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020269633	0	45	-1.0	-46.62	378.31	6.53	-40.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020269633	1	45	-1.0	-46.59	378.36	6.55	-40.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020269634	0	55	-1.0	-40.90	433.03	11.10	-29.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020269634	1	55	-1.0	-40.91	433.09	11.11	-29.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020269635	0	52	-1.0	-44.24	410.66	10.68	-33.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020269635	1	52	-1.0	-44.29	410.72	10.71	-33.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020269636	0	55	-1.0	-39.57	410.84	9.13	-30.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020269636	1	55	-1.0	-39.59	410.90	9.14	-30.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020269637	0	52	-1.0	-43.04	392.86	8.72	-34.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020269637	1	52	-1.0	-43.03	392.92	8.74	-34.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020269638	0	42	-1.0	-42.90	347.88	6.66	-36.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020269638	1	42	-1.0	-42.92	347.94	6.68	-36.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020269639	0	39	-1.0	-47.10	302.52	6.25	-40.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020269639	1	39	-1.0	-47.18	302.58	6.27	-40.91
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC(F)F)C1CCC1	REAL300020269640	0	46	-1.0	-44.69	373.90	8.44	-36.25
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC(F)F)C1CCC1	REAL300020269640	1	46	-1.0	-44.69	373.93	8.42	-36.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020269641	0	48	-1.0	-43.02	388.05	5.51	-37.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020269641	1	48	-1.0	-43.03	388.11	5.52	-37.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020269642	0	45	-1.0	-45.58	366.61	4.75	-40.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020269642	1	45	-1.0	-45.57	366.56	4.72	-40.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020269643	0	43	-1.0	-39.79	344.37	5.26	-34.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020269643	1	43	-1.0	-39.80	344.43	5.27	-34.53
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020269644	0	47	-1.0	-43.05	364.70	7.25	-35.80
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020269644	1	47	-1.0	-43.06	364.73	7.24	-35.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020269645	0	50	-1.0	-40.78	397.38	8.76	-32.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020269645	1	50	-1.0	-40.75	397.44	8.77	-31.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020269646	0	47	-1.0	-42.51	376.00	7.87	-34.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020269646	1	47	-1.0	-42.47	376.06	7.90	-34.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020269647	0	42	-1.0	-43.16	346.77	4.66	-38.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020269647	1	42	-1.0	-43.15	346.83	4.67	-38.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020269648	0	39	-1.0	-44.46	321.49	3.95	-40.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020269648	1	39	-1.0	-44.49	321.44	3.92	-40.57
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020269649	0	46	-1.0	-45.35	375.70	6.67	-38.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020269649	1	46	-1.0	-45.32	375.74	6.65	-38.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020269650	0	46	-1.0	-41.46	366.54	7.98	-33.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020269650	1	46	-1.0	-41.50	366.59	8.00	-33.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020269651	0	43	-1.0	-42.17	352.29	7.45	-34.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020269651	1	43	-1.0	-42.26	352.34	7.48	-34.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)C(C)=C1	REAL300020269652	0	55	-1.0	-40.09	434.72	8.31	-31.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)C(C)=C1	REAL300020269652	1	55	-1.0	-40.08	434.77	8.32	-31.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)C(C)=C1	REAL300020269653	0	52	-1.0	-44.91	406.35	7.66	-37.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)C(C)=C1	REAL300020269653	1	52	-1.0	-44.94	406.41	7.68	-37.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020269654	0	51	-1.0	-50.03	393.71	4.56	-45.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020269654	1	51	-1.0	-50.06	393.77	4.57	-45.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020269655	0	48	-1.0	-50.43	377.30	3.58	-46.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020269655	1	48	-1.0	-50.47	377.35	3.61	-46.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020269656	0	48	-1.0	-46.14	377.56	6.93	-39.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020269656	1	48	-1.0	-46.12	377.62	6.94	-39.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020269657	0	45	-1.0	-47.35	355.47	6.39	-40.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020269657	1	45	-1.0	-47.38	355.53	6.42	-40.96
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020269658	0	52	-1.0	-45.08	418.80	9.37	-35.71
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020269658	1	52	-1.0	-45.00	418.84	9.36	-35.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC(C)=CS2)C1	REAL300020269659	0	51	-1.0	-41.78	417.31	7.94	-33.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC(C)=CS2)C1	REAL300020269659	1	51	-1.0	-41.81	417.37	7.96	-33.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC(C)=CS2)C1	REAL300020269660	0	48	-1.0	-44.90	395.48	7.34	-37.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC(C)=CS2)C1	REAL300020269660	1	48	-1.0	-44.88	395.53	7.35	-37.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=C(CCC3)S2)C1	REAL300020269661	0	52	-1.0	-43.03	426.14	8.82	-34.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=C(CCC3)S2)C1	REAL300020269661	1	52	-1.0	-42.95	426.19	8.83	-34.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=C(CCC3)S2)C1	REAL300020269662	0	49	-1.0	-44.83	404.06	8.23	-36.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=C(CCC3)S2)C1	REAL300020269662	1	49	-1.0	-44.81	404.12	8.26	-36.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020269663	0	50	-1.0	-41.63	399.82	6.98	-34.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020269663	1	50	-1.0	-41.61	399.88	6.99	-34.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020269664	0	47	-1.0	-44.11	377.98	6.37	-37.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020269664	1	47	-1.0	-44.08	378.04	6.38	-37.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020269665	0	55	0.0	-65.97	397.92	8.58	-57.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020269665	1	55	0.0	-65.99	397.98	8.59	-57.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020269666	0	52	0.0	-66.92	365.19	7.09	-59.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020269666	1	52	0.0	-66.92	365.25	7.11	-59.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020269667	0	51	-1.0	-48.30	399.75	5.12	-43.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020269667	1	51	-1.0	-48.32	399.81	5.13	-43.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020269668	0	48	-1.0	-50.28	378.32	4.35	-45.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020269668	1	48	-1.0	-50.29	378.38	4.38	-45.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020269669	0	48	-1.0	-40.70	356.90	7.55	-33.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020269669	1	48	-1.0	-40.73	356.96	7.57	-33.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020269670	0	45	-1.0	-42.68	341.67	6.90	-35.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020269670	1	45	-1.0	-42.73	341.71	6.93	-35.80
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020269671	0	52	-1.0	-42.22	391.66	9.72	-32.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020269671	1	52	-1.0	-42.22	391.70	9.71	-32.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020269672	0	56	0.0	-70.03	424.07	10.45	-59.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020269672	1	56	0.0	-55.31	420.28	10.22	-45.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020269672	1	56	0.0	-70.03	424.13	10.47	-59.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020269672	1	56	0.0	-55.33	420.34	10.23	-45.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020269673	0	51	-1.0	-42.11	408.65	8.50	-33.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020269673	1	51	-1.0	-42.10	408.70	8.52	-33.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020269674	0	48	-1.0	-45.29	386.84	7.89	-37.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020269674	1	48	-1.0	-45.25	386.90	7.91	-37.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=C3C=CNC3=CC=C2)CC1	REAL300020269675	0	53	-1.0	-43.44	418.17	9.78	-33.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C3C=CNC3=CC=C2)CC1	REAL300020269675	1	53	-1.0	-43.43	418.23	9.79	-33.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C3C=CNC3=CC=C2)CC1	REAL300020269676	0	50	-1.0	-45.37	402.07	8.82	-36.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C3C=CNC3=CC=C2)CC1	REAL300020269676	1	50	-1.0	-45.37	402.12	8.84	-36.53
CCOC(=O)C1=NN2CC(C)N(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2=C1	REAL300020269677	0	49	-1.0	-50.02	393.97	6.08	-43.94
CCOC(=O)C1=NN2CC(C)N(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2=C1	REAL300020269677	1	49	-1.0	-50.00	394.01	6.10	-43.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020269678	0	49	-1.0	-46.25	393.04	7.40	-38.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020269678	1	49	-1.0	-46.28	393.10	7.42	-38.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020269679	0	46	-1.0	-47.22	375.26	6.74	-40.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020269679	1	46	-1.0	-47.19	375.32	6.76	-40.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020269680	0	48	-1.0	-41.03	400.04	7.87	-33.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020269680	1	48	-1.0	-41.04	400.10	7.88	-33.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020269681	0	45	-1.0	-42.87	379.38	6.88	-35.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020269681	1	45	-1.0	-42.87	379.44	6.91	-35.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1	REAL300020269682	0	53	-1.0	-45.91	417.01	6.96	-38.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1	REAL300020269682	1	53	-1.0	-45.94	417.07	6.99	-38.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020269683	0	51	-1.0	-45.00	411.26	1.13	-43.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020269683	1	51	-1.0	-45.00	411.32	1.14	-43.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020269684	0	48	-1.0	-47.74	388.90	0.52	-47.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020269684	1	48	-1.0	-47.72	388.96	0.54	-47.18
C=CCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020269685	0	47	-1.0	-42.38	371.26	4.93	-37.45
C=CCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020269685	1	47	-1.0	-42.38	371.32	4.95	-37.43
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020269686	0	44	-1.0	-44.30	353.37	4.26	-40.04
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020269686	1	44	-1.0	-44.29	353.42	4.29	-40.00
C=CCC1(O)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020269687	0	51	-1.0	-44.45	392.85	6.90	-37.55
C=CCC1(O)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020269687	1	51	-1.0	-44.40	392.88	6.91	-37.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCF	REAL300020269688	0	42	-1.0	-41.93	348.66	7.75	-34.18
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCF	REAL300020269688	1	42	-1.0	-41.93	348.70	7.74	-34.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020269689	0	49	-1.0	-50.52	411.18	6.80	-43.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020269689	1	49	-1.0	-50.51	411.12	6.78	-43.73
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020269690	0	46	-1.0	-53.04	389.61	6.03	-47.01
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020269690	1	46	-1.0	-53.06	389.55	6.00	-47.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC3=C2NC(=O)N3)CC1	REAL300020269691	0	49	-1.0	-48.94	402.87	3.27	-45.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC3=C2NC(=O)N3)CC1	REAL300020269691	1	49	-1.0	-48.94	402.93	3.29	-45.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=NC2=CC=CC=C2S1)C1CC1	REAL300020269692	0	48	-1.0	-43.03	388.74	8.33	-34.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=NC2=CC=CC=C2S1)C1CC1	REAL300020269692	1	48	-1.0	-43.00	388.80	8.34	-34.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=NC2=CC=CC=C2S1)C1CC1	REAL300020269693	0	45	-1.0	-53.62	379.28	7.50	-46.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=NC2=CC=CC=C2S1)C1CC1	REAL300020269693	1	45	-1.0	-53.61	379.33	7.52	-46.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020269694	0	49	-1.0	-41.48	392.85	9.57	-31.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020269694	1	49	-1.0	-41.46	392.90	9.58	-31.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020269695	0	46	-1.0	-41.52	371.15	8.56	-32.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020269695	1	46	-1.0	-41.53	371.09	8.53	-33.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCN(C)C(=O)OC(C)(C)C)C(C)C	REAL300020269696	0	58	-1.0	-57.17	445.38	6.81	-50.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCN(C)C(=O)OC(C)(C)C)C(C)C	REAL300020269696	1	58	-1.0	-57.21	445.45	6.83	-50.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020269697	0	46	-1.0	-46.21	372.65	8.95	-37.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020269697	1	46	-1.0	-46.13	372.59	8.93	-37.20
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020269698	0	43	-1.0	-48.86	345.69	8.27	-40.59
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020269698	1	43	-1.0	-48.84	345.63	8.25	-40.59
CCN1C(NC2=CN(C3CCCC3)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020269699	0	50	-1.0	-48.25	400.95	10.88	-37.37
CCN1C(NC2=CN(C3CCCC3)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020269699	1	50	-1.0	-48.23	400.92	10.89	-37.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=C(C#N)C=N2)C1	REAL300020269700	0	51	-1.0	-44.33	423.80	7.49	-36.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=C(C#N)C=N2)C1	REAL300020269700	1	51	-1.0	-44.28	423.75	7.48	-36.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=C(C#N)C=N2)C1	REAL300020269701	0	48	-1.0	-45.51	402.60	6.68	-38.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=C(C#N)C=N2)C1	REAL300020269701	1	48	-1.0	-45.47	402.55	6.66	-38.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020269702	0	43	-1.0	-39.20	360.27	5.75	-33.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020269702	1	43	-1.0	-39.19	360.33	5.76	-33.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020269703	0	40	-1.0	-41.53	338.48	5.14	-36.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020269703	1	40	-1.0	-41.53	338.53	5.16	-36.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020269704	0	50	-1.0	-44.70	403.35	5.99	-38.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020269704	1	50	-1.0	-44.72	403.40	6.01	-38.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020269705	0	47	-1.0	-46.79	386.32	5.13	-41.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020269705	1	47	-1.0	-46.81	386.38	5.16	-41.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020269706	0	52	-1.0	-40.78	391.05	8.61	-32.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020269706	1	52	-1.0	-40.80	391.11	8.63	-32.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020269707	0	49	-1.0	-45.38	373.84	8.98	-36.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020269707	1	49	-1.0	-45.37	373.89	9.01	-36.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020269708	0	51	-1.0	-46.03	410.81	7.83	-38.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020269708	1	51	-1.0	-46.08	410.87	7.84	-38.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020269709	0	48	-1.0	-53.93	375.85	6.24	-47.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020269709	1	48	-1.0	-53.93	375.91	6.26	-47.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020269710	0	49	-1.0	-41.13	398.76	9.78	-31.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020269710	1	49	-1.0	-41.12	398.81	9.79	-31.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020269711	0	46	-1.0	-43.62	385.11	9.19	-34.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020269711	1	46	-1.0	-43.63	385.05	9.17	-34.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020269712	0	53	-1.0	-41.14	400.05	7.45	-33.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020269712	1	53	-1.0	-41.16	400.10	7.46	-33.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020269713	0	50	-1.0	-43.41	383.00	6.76	-36.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020269713	1	50	-1.0	-43.44	383.05	6.78	-36.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020269714	0	44	-1.0	-46.14	365.06	0.04	-46.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020269714	1	44	-1.0	-46.13	365.12	0.05	-46.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020269715	0	41	-1.0	-46.19	347.25	-0.64	-46.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020269715	1	41	-1.0	-46.23	347.31	-0.62	-46.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020269716	0	44	-1.0	-58.94	360.46	2.62	-56.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020269716	1	44	-1.0	-58.94	360.52	2.63	-56.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020269717	0	41	-1.0	-58.87	341.60	2.25	-56.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020269717	1	41	-1.0	-58.89	341.66	2.26	-56.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020269718	0	43	-1.0	-43.47	341.62	7.05	-36.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020269718	1	43	-1.0	-43.44	341.68	7.06	-36.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020269719	0	40	-1.0	-46.60	322.23	6.68	-39.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020269719	1	40	-1.0	-46.58	322.28	6.71	-39.87
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020269720	0	47	-1.0	-45.73	374.20	9.15	-36.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020269720	1	47	-1.0	-45.72	374.23	9.14	-36.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020269721	0	48	-1.0	-42.66	399.42	7.56	-35.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020269721	1	48	-1.0	-42.68	399.47	7.58	-35.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020269722	0	45	-1.0	-44.18	376.84	6.80	-37.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020269722	1	45	-1.0	-44.20	376.89	6.83	-37.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020269723	0	42	-1.0	-47.09	351.33	4.83	-42.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020269723	1	42	-1.0	-47.07	351.38	4.84	-42.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020269724	0	39	-1.0	-45.08	324.89	4.35	-40.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020269724	1	39	-1.0	-45.10	324.83	4.33	-40.77
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020269725	0	46	-1.0	-48.73	381.96	6.88	-41.85
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020269725	1	46	-1.0	-48.71	382.01	6.87	-41.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C2=CC=CS2)=NO1	REAL300020269726	0	44	-1.0	-41.13	383.05	5.84	-35.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C2=CC=CS2)=NO1	REAL300020269726	1	44	-1.0	-41.11	382.99	5.83	-35.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C2=CC=CS2)=NO1	REAL300020269727	0	41	-1.0	-41.72	373.28	4.97	-36.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C2=CC=CS2)=NO1	REAL300020269727	1	41	-1.0	-41.74	373.22	4.95	-36.79
C#CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC)C1CCCC2=CC=CC=C21	REAL300020269728	0	51	-1.0	-39.80	397.62	10.43	-29.37
C#CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC)C1CCCC2=CC=CC=C21	REAL300020269728	1	51	-1.0	-39.79	397.68	10.44	-29.35
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC)C1CCCC2=CC=CC=C21	REAL300020269729	0	48	-1.0	-43.51	386.75	10.08	-33.43
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC)C1CCCC2=CC=CC=C21	REAL300020269729	1	48	-1.0	-43.36	386.69	10.06	-33.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020269730	0	45	-1.0	-41.58	390.74	6.82	-34.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020269730	1	45	-1.0	-41.57	390.80	6.84	-34.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020269731	0	42	-1.0	-43.90	367.87	6.02	-37.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020269731	1	42	-1.0	-43.87	367.93	6.04	-37.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020269732	0	43	-1.0	-46.93	350.34	8.13	-38.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020269732	1	43	-1.0	-46.94	350.29	8.11	-38.83
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020269733	0	40	-1.0	-48.91	333.60	7.50	-41.41
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020269733	1	40	-1.0	-48.87	333.54	7.48	-41.39
CCN1C(NC2=CN(C3CCC3)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020269734	0	47	-1.0	-48.92	383.49	10.21	-38.71
CCN1C(NC2=CN(C3CCC3)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020269734	1	47	-1.0	-48.90	383.44	10.22	-38.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020269735	0	40	-1.0	-39.81	334.70	3.74	-36.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020269735	1	40	-1.0	-39.80	334.76	3.76	-36.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020269736	0	37	-1.0	-41.25	312.61	3.21	-38.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020269736	1	37	-1.0	-41.23	312.67	3.23	-38.00
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020269737	0	44	-1.0	-41.82	370.89	5.86	-35.96
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020269737	1	44	-1.0	-41.73	370.95	5.86	-35.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020269738	0	49	-1.0	-43.43	373.90	7.25	-36.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020269738	1	49	-1.0	-43.43	373.85	7.24	-36.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020269739	0	46	-1.0	-47.43	350.92	6.76	-40.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020269739	1	46	-1.0	-47.44	350.87	6.73	-40.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020269740	0	46	-1.0	-39.87	336.90	9.32	-30.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020269740	1	46	-1.0	-39.93	336.95	9.34	-30.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020269741	0	43	-1.0	-43.26	324.54	7.91	-35.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020269741	1	43	-1.0	-43.29	324.60	7.93	-35.36
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020269742	0	50	-1.0	-40.73	371.04	11.00	-29.73
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020269742	1	50	-1.0	-40.75	371.06	10.99	-29.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020269743	0	49	0.0	-64.97	364.26	6.87	-58.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020269743	1	49	0.0	-68.08	369.00	7.05	-61.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020269743	1	49	0.0	-64.98	364.32	6.89	-58.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020269743	1	49	0.0	-68.09	369.06	7.06	-61.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020269744	0	46	0.0	-66.41	354.78	6.97	-59.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020269744	1	46	0.0	-70.32	347.60	6.25	-64.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020269744	1	46	0.0	-66.41	354.84	6.99	-59.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020269744	1	46	0.0	-70.32	347.66	6.28	-64.04
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020269745	0	53	0.0	-70.52	396.67	8.97	-61.55
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020269745	1	53	0.0	-72.22	396.67	8.99	-63.23
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020269745	1	53	0.0	-70.48	396.70	8.96	-61.52
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020269745	1	53	0.0	-72.19	396.70	8.99	-63.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020269746	0	47	-1.0	-43.40	359.88	3.28	-40.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020269746	1	47	-1.0	-43.40	359.94	3.29	-40.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020269747	0	44	-1.0	-44.46	337.73	2.74	-41.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020269747	1	44	-1.0	-44.43	337.79	2.76	-41.67
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020269748	0	51	-1.0	-45.34	395.72	5.55	-39.79
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020269748	1	51	-1.0	-45.39	395.75	5.55	-39.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020269749	0	48	-1.0	-39.49	377.16	8.58	-30.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020269749	1	48	-1.0	-39.54	377.22	8.60	-30.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020269750	0	45	-1.0	-43.64	353.52	8.05	-35.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020269750	1	45	-1.0	-43.64	353.46	8.02	-35.62
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020269751	0	52	-1.0	-41.38	403.19	10.50	-30.88
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020269751	1	52	-1.0	-41.35	403.23	10.49	-30.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020269752	0	48	-1.0	-44.85	399.87	7.31	-37.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020269752	1	48	-1.0	-44.84	399.93	7.32	-37.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020269753	0	45	-1.0	-46.62	378.31	6.53	-40.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020269753	1	45	-1.0	-46.59	378.36	6.55	-40.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020269754	0	40	-1.0	-41.99	363.34	7.33	-34.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020269754	1	40	-1.0	-41.96	363.40	7.35	-34.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020269755	0	37	-1.0	-42.65	341.56	6.61	-36.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020269755	1	37	-1.0	-42.59	341.64	6.54	-36.05
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020269756	0	44	-1.0	-44.78	380.58	9.36	-35.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020269756	1	44	-1.0	-44.79	380.62	9.35	-35.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020269757	0	48	-1.0	-47.65	381.83	1.37	-46.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020269757	1	48	-1.0	-47.62	381.88	1.38	-46.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020269758	0	45	-1.0	-48.14	360.28	0.62	-47.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020269758	1	45	-1.0	-48.14	360.34	0.64	-47.50
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020269759	0	52	-1.0	-50.97	404.54	3.81	-47.16
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020269759	1	52	-1.0	-50.94	404.56	3.80	-47.14
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020269760	0	44	-1.0	-43.37	339.08	8.41	-34.96
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020269760	1	44	-1.0	-43.26	339.11	8.40	-34.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020269761	0	47	-1.0	-49.11	388.58	1.54	-47.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020269761	1	47	-1.0	-49.11	388.64	1.56	-47.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020269762	0	44	-1.0	-51.45	366.69	0.93	-50.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020269762	1	44	-1.0	-51.46	366.74	0.95	-50.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020269763	0	48	-1.0	-41.96	357.92	7.94	-34.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020269763	1	48	-1.0	-41.94	357.98	7.96	-33.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020269764	0	45	-1.0	-44.87	334.87	7.45	-37.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020269764	1	45	-1.0	-44.91	334.93	7.47	-37.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020269765	0	52	-1.0	-43.20	390.56	10.14	-33.06
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020269765	1	52	-1.0	-43.24	390.61	10.13	-33.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020269766	0	50	-1.0	-41.37	363.51	8.08	-33.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020269766	1	50	-1.0	-41.41	363.56	8.09	-33.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020269767	0	47	-1.0	-44.90	340.53	7.61	-37.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020269767	1	47	-1.0	-44.85	340.59	7.63	-37.22
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020269768	0	54	-1.0	-42.96	395.67	10.27	-32.69
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020269768	1	54	-1.0	-42.95	395.70	10.26	-32.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C(F)(F)F)=N2)C1	REAL300020269769	0	44	-1.0	-47.97	374.85	6.26	-41.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C(F)(F)F)=N2)C1	REAL300020269769	1	44	-1.0	-47.91	374.91	6.28	-41.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020269770	0	43	-1.0	-49.09	345.31	2.76	-46.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020269770	1	43	-1.0	-49.09	345.37	2.77	-46.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020269771	0	40	-1.0	-49.96	323.11	2.21	-47.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020269771	1	40	-1.0	-49.98	323.16	2.23	-47.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020269772	0	50	-1.0	-41.74	398.66	9.58	-32.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020269772	1	50	-1.0	-41.75	398.72	9.59	-32.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020269773	0	47	-1.0	-44.52	382.10	8.96	-35.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020269773	1	47	-1.0	-44.56	382.04	8.94	-35.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020269774	0	45	-1.0	-43.50	355.57	5.05	-38.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020269774	1	45	-1.0	-43.54	355.62	5.06	-38.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020269775	0	42	-1.0	-45.99	336.12	4.24	-41.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020269775	1	42	-1.0	-46.00	336.18	4.27	-41.73
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1OCCO1	REAL300020269776	0	49	-1.0	-45.84	386.03	7.01	-38.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1OCCO1	REAL300020269776	1	49	-1.0	-45.79	386.05	7.00	-38.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020269777	0	42	-1.0	-49.84	339.25	3.74	-46.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020269777	1	42	-1.0	-49.89	339.31	3.76	-46.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020269778	0	39	-1.0	-46.71	323.01	4.04	-42.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020269778	1	39	-1.0	-46.68	322.95	4.02	-42.66
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020269779	0	46	-1.0	-51.35	367.94	5.89	-45.46
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020269779	1	46	-1.0	-51.24	367.98	5.87	-45.37
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020269780	0	45	-1.0	-45.15	363.03	6.86	-38.29
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020269780	1	45	-1.0	-45.12	363.08	6.87	-38.25
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020269781	0	42	-1.0	-45.09	335.97	6.17	-38.92
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020269781	1	42	-1.0	-45.09	336.02	6.20	-38.89
CCOC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020269782	0	49	-1.0	-47.04	390.60	8.84	-38.20
CCOC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020269782	1	49	-1.0	-46.98	390.62	8.83	-38.15
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=C(C=CC=C2C(=O)OC)C1	REAL300020269783	0	50	-1.0	-44.30	404.38	8.36	-35.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=C(C=CC=C2C(=O)OC)C1	REAL300020269783	1	50	-1.0	-44.31	404.44	8.37	-35.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=C(C=CC=C2C(=O)OC)C1	REAL300020269784	0	47	-1.0	-47.70	378.98	7.63	-40.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=C(C=CC=C2C(=O)OC)C1	REAL300020269784	1	47	-1.0	-47.71	379.03	7.65	-40.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C(C(=O)OC)S2)C1	REAL300020269785	0	45	-1.0	-49.81	390.11	6.32	-43.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C(C(=O)OC)S2)C1	REAL300020269785	1	45	-1.0	-49.77	390.17	6.35	-43.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020269786	0	45	-1.0	-53.07	366.98	3.05	-50.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020269786	1	45	-1.0	-53.07	367.04	3.06	-50.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020269787	0	42	-1.0	-55.37	345.53	2.27	-53.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020269787	1	42	-1.0	-55.33	345.59	2.29	-53.04
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020269788	0	49	-1.0	-55.52	383.13	5.11	-50.41
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020269788	1	49	-1.0	-55.50	383.17	5.10	-50.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020269789	0	48	-1.0	-54.26	381.75	4.13	-50.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020269789	1	48	-1.0	-54.25	381.80	4.15	-50.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020269790	0	45	-1.0	-56.86	360.24	3.35	-53.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020269790	1	45	-1.0	-56.85	360.30	3.37	-53.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020269791	0	48	-1.0	-49.41	378.33	4.60	-44.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020269791	1	48	-1.0	-49.39	378.39	4.61	-44.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020269792	0	45	-1.0	-52.14	358.21	3.71	-48.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020269792	1	45	-1.0	-52.11	358.26	3.73	-48.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020269793	0	55	-1.0	-44.76	430.61	6.87	-37.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020269793	1	55	-1.0	-44.77	430.67	6.88	-37.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020269794	0	52	-1.0	-48.18	409.72	6.15	-42.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020269794	1	52	-1.0	-48.20	409.77	6.18	-42.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(C(=O)OC(C)(C)C)C1	REAL300020269795	0	57	-1.0	-49.76	428.17	9.47	-40.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(C(=O)OC(C)(C)C)C1	REAL300020269795	1	57	-1.0	-49.76	428.22	9.49	-40.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020269796	0	47	-1.0	-44.62	392.61	3.49	-41.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020269796	1	47	-1.0	-44.58	392.67	3.51	-41.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020269797	0	44	-1.0	-46.03	371.13	2.71	-43.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020269797	1	44	-1.0	-46.01	371.19	2.73	-43.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCNC(=O)OC(C)(C)C)C1	REAL300020269798	0	56	-1.0	-45.94	435.59	5.78	-40.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCNC(=O)OC(C)(C)C)C1	REAL300020269798	1	56	-1.0	-45.91	435.63	5.80	-40.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020269799	0	44	-1.0	-48.16	346.31	2.53	-45.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020269799	1	44	-1.0	-48.19	346.37	2.54	-45.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020269800	0	41	-1.0	-50.28	316.50	1.83	-48.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020269800	1	41	-1.0	-50.30	316.46	1.81	-48.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020269801	0	48	-1.0	-42.79	369.69	4.45	-38.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020269801	1	48	-1.0	-42.74	369.70	4.45	-38.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020269802	0	44	-1.0	-49.62	362.49	0.98	-48.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020269802	1	44	-1.0	-49.64	362.55	1.00	-48.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020269803	0	41	-1.0	-52.13	335.45	0.29	-51.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020269803	1	41	-1.0	-52.11	335.51	0.31	-51.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020269804	0	43	-1.0	-40.54	372.95	6.86	-33.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020269804	1	43	-1.0	-40.53	372.89	6.85	-33.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020269805	0	40	-1.0	-47.28	344.34	6.10	-41.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020269805	1	40	-1.0	-47.27	344.28	6.06	-41.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CSC)CC1	REAL300020269806	0	46	-1.0	-41.10	376.08	7.81	-33.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CSC)CC1	REAL300020269806	1	46	-1.0	-41.06	376.14	7.83	-33.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC)CC1	REAL300020269807	0	43	-1.0	-44.32	354.24	7.20	-37.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC)CC1	REAL300020269807	1	43	-1.0	-44.30	354.30	7.22	-37.08
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CSC)CC1	REAL300020269808	0	50	-1.0	-43.19	403.60	9.98	-33.21
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CSC)CC1	REAL300020269808	1	50	-1.0	-43.19	403.64	9.97	-33.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020269809	0	44	-1.0	-51.88	371.35	3.08	-48.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020269809	1	44	-1.0	-51.89	371.40	3.09	-48.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020269810	0	41	-1.0	-49.65	349.89	2.30	-47.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020269810	1	41	-1.0	-49.65	349.95	2.33	-47.32
CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020269811	0	43	-1.0	-41.46	345.64	5.50	-35.96
CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020269811	1	43	-1.0	-41.47	345.70	5.52	-35.95
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020269812	0	47	-1.0	-43.21	364.13	6.71	-36.50
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020269812	1	47	-1.0	-43.14	364.17	6.69	-36.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1	REAL300020269813	0	55	-1.0	-44.74	412.41	8.82	-35.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1	REAL300020269813	1	55	-1.0	-44.75	412.47	8.82	-35.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020269814	0	43	-1.0	-40.84	370.74	6.35	-34.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020269814	1	43	-1.0	-40.85	370.80	6.37	-34.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020269815	0	40	-1.0	-42.39	349.19	5.55	-36.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020269815	1	40	-1.0	-42.35	349.24	5.58	-36.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020269816	0	47	-1.0	-40.99	387.00	7.31	-33.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020269816	1	47	-1.0	-41.00	387.06	7.32	-33.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020269817	0	44	-1.0	-42.18	356.16	6.64	-35.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020269817	1	44	-1.0	-42.15	356.21	6.67	-35.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020269818	0	56	-1.0	-45.12	441.80	6.00	-39.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020269818	1	56	-1.0	-45.20	441.86	6.01	-39.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020269819	0	53	-1.0	-44.59	414.91	5.14	-39.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1	REAL300020269819	1	53	-1.0	-44.54	414.97	5.17	-39.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1	REAL300020269820	0	56	-1.0	-45.41	427.67	5.68	-39.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1	REAL300020269820	1	56	-1.0	-45.40	427.73	5.70	-39.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(C(=O)OC(C)(C)C)C1	REAL300020269821	0	57	-1.0	-49.76	428.17	9.47	-40.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(C(=O)OC(C)(C)C)C1	REAL300020269821	1	57	-1.0	-49.76	428.22	9.49	-40.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2=CC=CC(OC)=C2)C1	REAL300020269822	0	50	-1.0	-42.95	402.61	8.22	-34.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2=CC=CC(OC)=C2)C1	REAL300020269822	1	50	-1.0	-42.91	402.67	8.23	-34.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2=CC=CC(OC)=C2)C1	REAL300020269823	0	47	-1.0	-44.41	381.10	7.44	-36.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2=CC=CC(OC)=C2)C1	REAL300020269823	1	47	-1.0	-44.40	381.15	7.47	-36.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=NN=C(C3CC3)N2)[C@H](C2CC2)C1	REAL300020269824	0	53	-1.0	-44.96	427.31	9.10	-35.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=NN=C(C3CC3)N2)[C@H](C2CC2)C1	REAL300020269824	1	53	-1.0	-45.01	427.37	9.12	-35.89
CCN(CCC(=O)NC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269825	0	45	-1.0	-50.61	362.91	3.23	-47.38
CCN(CCC(=O)NC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269825	1	45	-1.0	-50.63	362.97	3.25	-47.38
CCN(CCC(=O)NC)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020269826	0	42	-1.0	-54.32	339.75	2.29	-52.03
CCN(CCC(=O)NC)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020269826	1	42	-1.0	-54.33	339.69	2.27	-52.06
CCN(CCC(=O)NC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269827	0	49	-1.0	-52.67	388.61	5.07	-47.60
CCN(CCC(=O)NC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269827	1	49	-1.0	-52.65	388.65	5.06	-47.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020269828	0	52	-1.0	-41.16	411.46	7.82	-33.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020269828	1	52	-1.0	-41.14	411.51	7.84	-33.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020269829	0	49	-1.0	-43.34	389.90	7.03	-36.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020269829	1	49	-1.0	-43.37	389.96	7.05	-36.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=C(CCC3)S2)CC1	REAL300020269830	0	52	-1.0	-41.70	427.35	8.87	-32.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=C(CCC3)S2)CC1	REAL300020269830	1	52	-1.0	-41.72	427.41	8.88	-32.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=C(CCC3)S2)CC1	REAL300020269831	0	49	-1.0	-44.25	401.91	8.15	-36.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=C(CCC3)S2)CC1	REAL300020269831	1	49	-1.0	-44.26	401.97	8.16	-36.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC3=C(CCC3)S2)CC1	REAL300020269832	0	52	-1.0	-47.05	418.95	8.99	-38.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC3=C(CCC3)S2)CC1	REAL300020269832	1	52	-1.0	-47.05	419.00	9.00	-38.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020269833	0	46	-1.0	-41.84	366.86	8.08	-33.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020269833	1	46	-1.0	-41.88	366.92	8.09	-33.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020269834	0	43	-1.0	-44.40	347.79	7.59	-36.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020269834	1	43	-1.0	-44.48	347.85	7.62	-36.86
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020269835	0	50	-1.0	-44.61	384.27	10.13	-34.48
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020269835	1	50	-1.0	-44.63	384.30	10.14	-34.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020269836	0	40	-1.0	-41.99	335.64	6.45	-35.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020269836	1	40	-1.0	-42.01	335.70	6.47	-35.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020269837	0	37	-1.0	-43.48	315.66	6.47	-37.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020269837	1	37	-1.0	-43.47	315.61	6.44	-37.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020269838	0	44	-1.0	-43.43	362.73	8.79	-34.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020269838	1	44	-1.0	-43.42	362.78	8.78	-34.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020269839	0	55	-1.0	-41.15	426.12	10.84	-30.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020269839	1	55	-1.0	-41.16	426.18	10.85	-30.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020269840	0	52	-1.0	-44.41	404.32	10.22	-34.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020269840	1	52	-1.0	-44.47	404.37	10.25	-34.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020269841	0	50	-1.0	-43.76	378.44	7.39	-36.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020269841	1	50	-1.0	-43.73	378.50	7.40	-36.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020269842	0	47	-1.0	-44.59	366.02	7.69	-36.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020269842	1	47	-1.0	-44.61	366.07	7.71	-36.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020269843	0	43	-1.0	-41.58	359.59	8.48	-33.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020269843	1	43	-1.0	-41.61	359.64	8.49	-33.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020269844	0	40	-1.0	-44.48	338.09	7.69	-36.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020269844	1	40	-1.0	-44.52	338.15	7.71	-36.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020269845	0	51	-1.0	-42.21	394.65	5.99	-36.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020269845	1	51	-1.0	-42.22	394.71	6.00	-36.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020269846	0	48	-1.0	-45.40	372.85	5.37	-40.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020269846	1	48	-1.0	-45.41	372.90	5.40	-40.01
C#CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269847	0	43	-1.0	-40.20	353.40	7.60	-32.60
C#CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269847	1	43	-1.0	-40.18	353.46	7.62	-32.56
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269848	0	47	-1.0	-43.73	381.29	9.30	-34.43
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269848	1	47	-1.0	-43.75	381.32	9.29	-34.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020269849	0	48	-1.0	-41.46	399.53	8.90	-32.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020269849	1	48	-1.0	-41.47	399.59	8.91	-32.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020269850	0	45	-1.0	-44.07	372.44	8.01	-36.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020269850	1	45	-1.0	-44.04	372.40	7.98	-36.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020269851	0	48	-1.0	-41.46	399.53	8.90	-32.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020269851	1	48	-1.0	-41.47	399.59	8.91	-32.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020269852	0	45	-1.0	-44.07	372.44	8.01	-36.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020269852	1	45	-1.0	-44.04	372.40	7.98	-36.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=C(OC)C(OC)=C1	REAL300020269853	0	54	-1.0	-53.30	411.11	7.29	-46.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=C(OC)C(OC)=C1	REAL300020269853	1	54	-1.0	-53.29	411.16	7.31	-45.98
C=CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269854	0	46	-1.0	-41.85	356.26	7.46	-34.39
C=CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269854	1	46	-1.0	-41.85	356.32	7.47	-34.38
C=CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020269855	0	43	-1.0	-43.56	339.67	6.84	-36.72
C=CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020269855	1	43	-1.0	-43.53	339.61	6.81	-36.72
C=CCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269856	0	50	-1.0	-43.37	389.41	9.57	-33.80
C=CCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269856	1	50	-1.0	-43.29	389.44	9.55	-33.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020269857	0	54	-1.0	-43.71	426.46	9.63	-34.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020269857	1	54	-1.0	-43.71	426.40	9.61	-34.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020269858	0	51	-1.0	-45.32	404.90	8.83	-36.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020269858	1	51	-1.0	-45.36	404.96	8.86	-36.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1	REAL300020269859	0	54	-1.0	-45.72	420.09	5.79	-39.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1	REAL300020269859	1	54	-1.0	-45.72	420.14	5.81	-39.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CS(=O)(=O)CC2(C1)CCCC3	REAL300020269860	0	50	-1.0	-47.34	384.60	4.15	-43.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CS(=O)(=O)CC2(C1)CCCC3	REAL300020269860	1	50	-1.0	-47.34	384.66	4.17	-43.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020269861	0	43	-1.0	-42.86	315.47	5.73	-37.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020269861	1	43	-1.0	-42.87	315.52	5.75	-37.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020269862	0	40	-1.0	-45.39	293.10	5.23	-40.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020269862	1	40	-1.0	-45.37	293.16	5.24	-40.13
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020269863	0	47	-1.0	-45.22	349.29	7.88	-37.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020269863	1	47	-1.0	-45.20	349.32	7.87	-37.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020269864	0	50	-1.0	-47.62	391.66	5.15	-42.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020269864	1	50	-1.0	-47.68	391.71	5.17	-42.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020269865	0	47	-1.0	-48.76	371.50	4.26	-44.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020269865	1	47	-1.0	-48.77	371.56	4.27	-44.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020269866	0	44	-1.0	-44.53	367.06	7.86	-36.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020269866	1	44	-1.0	-44.52	367.11	7.87	-36.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020269867	0	41	-1.0	-45.94	341.67	7.14	-38.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020269867	1	41	-1.0	-45.93	341.61	7.12	-38.81
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020269868	0	48	-1.0	-46.39	392.69	10.02	-36.37
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020269868	1	48	-1.0	-46.42	392.74	10.01	-36.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020269869	0	47	-1.0	-48.73	377.67	4.05	-44.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020269869	1	47	-1.0	-48.70	377.73	4.07	-44.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020269870	0	44	-1.0	-52.46	356.62	3.30	-49.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020269870	1	44	-1.0	-52.43	356.57	3.28	-49.15
CCOC(=O)C(C#N)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020269871	0	52	-1.0	-46.59	422.75	8.66	-37.93
CCOC(=O)C(C#N)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020269871	1	52	-1.0	-46.55	422.81	8.67	-37.88
CCOC(=O)C(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020269872	0	49	-1.0	-48.76	401.83	7.93	-40.83
CCOC(=O)C(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020269872	1	49	-1.0	-48.73	401.89	7.96	-40.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020269873	0	46	-1.0	-40.69	349.47	7.49	-33.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020269873	1	46	-1.0	-40.70	349.53	7.51	-33.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020269874	0	43	-1.0	-41.86	342.45	7.18	-34.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020269874	1	43	-1.0	-41.86	342.51	7.21	-34.65
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020269875	0	50	-1.0	-42.66	382.16	9.61	-33.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020269875	1	50	-1.0	-42.66	382.19	9.60	-33.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCS2(=O)=O)CC1	REAL300020269876	0	51	-1.0	-52.79	397.06	4.45	-48.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCS2(=O)=O)CC1	REAL300020269876	1	51	-1.0	-52.81	397.12	4.48	-48.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020269877	0	46	-1.0	-48.39	370.49	3.86	-44.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020269877	1	46	-1.0	-48.43	370.55	3.88	-44.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020269878	0	43	-1.0	-51.15	345.60	2.89	-48.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020269878	1	43	-1.0	-51.15	345.66	2.91	-48.24
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269879	0	42	-1.0	-46.09	351.26	4.34	-41.75
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269879	1	42	-1.0	-46.06	351.29	4.32	-41.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020269880	0	50	-1.0	-39.78	410.49	10.37	-29.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020269880	1	50	-1.0	-39.79	410.55	10.38	-29.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020269881	0	47	-1.0	-42.24	384.97	9.65	-32.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020269881	1	47	-1.0	-42.25	385.03	9.66	-32.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020269882	0	53	-1.0	-42.55	418.92	8.77	-33.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020269882	1	53	-1.0	-42.52	418.97	8.78	-33.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020269883	0	50	-1.0	-44.83	401.42	8.10	-36.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020269883	1	50	-1.0	-44.83	401.48	8.13	-36.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020269884	0	43	-1.0	-41.76	330.82	7.33	-34.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020269884	1	43	-1.0	-41.77	330.88	7.35	-34.42
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020269885	0	47	-1.0	-43.52	358.49	9.31	-34.21
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020269885	1	47	-1.0	-43.49	358.51	9.30	-34.19
CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269886	0	45	-1.0	-40.63	348.32	6.41	-34.22
CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269886	1	45	-1.0	-40.66	348.38	6.42	-34.24
CCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269887	0	49	-1.0	-42.23	380.77	8.58	-33.65
CCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269887	1	49	-1.0	-42.21	380.81	8.57	-33.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C(=O)OC)C=C2)CC1	REAL300020269888	0	52	-1.0	-45.84	426.65	9.48	-36.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C(=O)OC)C=C2)CC1	REAL300020269888	1	52	-1.0	-45.88	426.71	9.51	-36.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020269889	0	46	-1.0	-48.38	368.11	3.31	-45.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020269889	1	46	-1.0	-48.32	368.17	3.33	-44.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020269890	0	43	-1.0	-48.56	350.49	2.75	-45.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020269890	1	43	-1.0	-48.58	350.55	2.78	-45.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2(C(=O)OC)CCC2)C1	REAL300020269891	0	53	-1.0	-43.53	407.63	5.47	-38.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2(C(=O)OC)CCC2)C1	REAL300020269891	1	53	-1.0	-43.53	407.68	5.48	-38.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2(C(=O)OC)CCC2)C1	REAL300020269892	0	50	-1.0	-45.31	386.12	4.68	-40.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2(C(=O)OC)CCC2)C1	REAL300020269892	1	50	-1.0	-45.35	386.18	4.71	-40.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020269893	0	45	-1.0	-44.18	371.86	5.51	-38.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020269893	1	45	-1.0	-44.17	371.80	5.49	-38.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020269894	0	42	-1.0	-48.92	344.11	4.84	-44.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020269894	1	42	-1.0	-48.90	344.05	4.82	-44.08
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020269895	0	49	-1.0	-48.47	387.93	7.54	-40.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020269895	1	49	-1.0	-48.53	387.90	7.54	-40.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020269896	0	47	-1.0	-42.97	369.84	6.57	-36.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020269896	1	47	-1.0	-43.00	369.90	6.58	-36.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020269897	0	44	-1.0	-45.31	347.94	5.48	-39.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020269897	1	44	-1.0	-45.34	348.00	5.50	-39.84
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020269898	0	51	-1.0	-44.48	398.17	8.55	-35.93
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020269898	1	51	-1.0	-44.44	398.21	8.54	-35.90
C#CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020269899	0	45	-1.0	-41.78	371.21	6.87	-34.91
C#CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020269899	1	45	-1.0	-41.83	371.27	6.89	-34.94
C#CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020269900	0	42	-1.0	-42.94	349.72	6.09	-36.85
C#CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020269900	1	42	-1.0	-42.95	349.78	6.11	-36.84
C#CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020269901	0	49	-1.0	-43.72	400.08	8.85	-34.87
C#CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020269901	1	49	-1.0	-43.75	400.11	8.84	-34.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020269902	0	43	-1.0	-45.03	340.21	3.50	-41.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020269902	1	43	-1.0	-45.06	340.27	3.51	-41.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020269903	0	40	-1.0	-50.26	321.99	2.49	-47.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020269903	1	40	-1.0	-50.24	321.93	2.47	-47.77
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)CC1	REAL300020269904	0	47	-1.0	-46.83	369.90	5.62	-41.21
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)CC1	REAL300020269904	1	47	-1.0	-46.82	369.90	5.60	-41.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(C1)CCCCC2	REAL300020269905	0	55	-1.0	-45.10	412.94	8.43	-36.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(C1)CCCCC2	REAL300020269905	1	55	-1.0	-45.09	412.99	8.45	-36.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(C1)CCCCC2	REAL300020269906	0	52	-1.0	-48.21	400.68	7.86	-40.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(C1)CCCCC2	REAL300020269906	1	52	-1.0	-48.23	400.74	7.89	-40.34
CCOC(=O)C1(CC(C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020269907	0	57	-1.0	-42.24	431.62	9.15	-33.09
CCOC(=O)C1(CC(C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020269907	1	57	-1.0	-42.24	431.68	9.17	-33.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(N(C)C)=NO2)CC1	REAL300020269908	0	52	-1.0	-43.93	424.10	7.70	-36.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(N(C)C)=NO2)CC1	REAL300020269908	1	52	-1.0	-43.96	424.15	7.72	-36.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(N(C)C)=NO2)CC1	REAL300020269909	0	49	-1.0	-44.89	402.36	6.98	-37.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(N(C)C)=NO2)CC1	REAL300020269909	1	49	-1.0	-44.91	402.42	7.00	-37.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020269910	0	49	-1.0	-41.51	409.31	7.51	-34.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020269910	1	49	-1.0	-41.53	409.37	7.52	-34.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020269911	0	46	-1.0	-43.13	388.06	6.73	-36.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020269911	1	46	-1.0	-43.13	388.12	6.75	-36.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020269912	0	46	-1.0	-53.16	383.94	7.09	-46.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020269912	1	46	-1.0	-53.20	384.00	7.11	-46.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020269913	0	43	-1.0	-59.80	363.69	6.41	-53.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020269913	1	43	-1.0	-59.75	363.63	6.39	-53.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020269914	0	50	-1.0	-40.87	403.79	8.83	-32.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020269914	1	50	-1.0	-40.89	403.85	8.84	-32.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020269915	0	47	-1.0	-42.63	383.14	7.94	-34.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020269915	1	47	-1.0	-42.68	383.19	7.95	-34.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020269916	0	44	-1.0	-40.91	351.85	9.04	-31.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020269916	1	44	-1.0	-40.88	351.91	9.05	-31.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020269917	0	41	-1.0	-44.87	324.18	8.24	-36.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020269917	1	41	-1.0	-44.90	324.23	8.25	-36.65
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CSCC(C2)C1	REAL300020269918	0	48	-1.0	-42.42	378.43	10.97	-31.45
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CSCC(C2)C1	REAL300020269918	1	48	-1.0	-42.38	378.46	10.96	-31.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020269919	0	55	-1.0	-40.42	423.78	10.77	-29.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020269919	1	55	-1.0	-40.41	423.84	10.79	-29.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020269920	0	52	-1.0	-42.40	401.43	10.08	-32.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020269920	1	52	-1.0	-42.39	401.49	10.10	-32.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020269921	0	43	-1.0	-40.39	350.47	5.15	-35.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020269921	1	43	-1.0	-40.38	350.53	5.16	-35.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020269922	0	40	-1.0	-43.79	328.24	4.74	-39.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020269922	1	40	-1.0	-43.78	328.30	4.77	-39.01
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020269923	0	47	-1.0	-43.43	377.77	7.43	-36.00
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020269923	1	47	-1.0	-43.39	377.80	7.42	-35.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020269924	0	47	-1.0	-44.41	381.00	7.88	-36.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020269924	1	47	-1.0	-44.40	381.05	7.90	-36.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020269925	0	44	-1.0	-44.20	362.98	7.30	-36.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020269925	1	44	-1.0	-44.27	363.04	7.32	-36.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCNS2(=O)=O)CC1	REAL300020269926	0	50	-1.0	-49.69	407.18	1.67	-48.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCNS2(=O)=O)CC1	REAL300020269926	1	50	-1.0	-49.68	407.23	1.68	-48.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCNS2(=O)=O)CC1	REAL300020269927	0	47	-1.0	-52.67	384.52	1.20	-51.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCNS2(=O)=O)CC1	REAL300020269927	1	47	-1.0	-52.68	384.58	1.22	-51.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020269928	0	45	-1.0	-42.17	363.80	6.65	-35.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020269928	1	45	-1.0	-42.17	363.86	6.66	-35.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020269929	0	42	-1.0	-45.18	345.10	5.79	-39.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020269929	1	42	-1.0	-45.22	345.16	5.82	-39.40
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020269930	0	49	-1.0	-44.03	393.59	8.67	-35.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020269930	1	49	-1.0	-43.98	393.62	8.66	-35.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020269931	0	44	-1.0	-49.52	353.13	9.27	-40.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020269931	1	44	-1.0	-49.52	353.19	9.28	-40.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020269932	0	41	-1.0	-52.91	326.26	8.61	-44.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020269932	1	41	-1.0	-52.91	326.20	8.58	-44.33
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020269933	0	48	-1.0	-51.19	380.63	11.21	-39.98
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020269933	1	48	-1.0	-51.12	380.66	11.20	-39.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020269934	0	51	0.0	-61.61	376.57	7.79	-53.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020269934	1	51	0.0	-61.32	375.81	7.81	-53.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020269934	1	51	0.0	-61.64	376.62	7.81	-53.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020269934	1	51	0.0	-61.34	375.87	7.82	-53.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020269935	0	48	0.0	-59.27	355.63	6.97	-52.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020269935	1	48	0.0	-58.72	359.49	6.92	-51.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020269935	1	48	0.0	-59.24	355.70	7.00	-52.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020269935	1	48	0.0	-58.70	359.54	6.94	-51.76
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020269936	0	55	0.0	-66.41	404.88	9.73	-56.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020269936	1	55	0.0	-67.46	402.53	9.80	-57.66
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020269936	1	55	0.0	-66.46	404.85	9.73	-56.73
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020269936	1	55	0.0	-67.45	402.47	9.81	-57.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020269937	0	50	-1.0	-45.43	394.27	9.00	-36.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020269937	1	50	-1.0	-45.42	394.33	9.02	-36.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020269938	0	47	-1.0	-49.74	372.70	8.21	-41.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020269938	1	47	-1.0	-49.71	372.75	8.24	-41.47
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020269939	0	44	-1.0	-42.49	351.64	8.63	-33.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020269939	1	44	-1.0	-42.50	351.67	8.62	-33.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020269940	0	49	-1.0	-40.59	393.56	9.81	-30.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020269940	1	49	-1.0	-40.56	393.62	9.82	-30.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020269941	0	46	-1.0	-46.66	374.36	8.91	-37.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020269941	1	46	-1.0	-46.67	374.40	8.93	-37.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC(C)(C)C)C1	REAL300020269942	0	57	-1.0	-44.48	441.24	9.56	-34.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC(C)(C)C)C1	REAL300020269942	1	57	-1.0	-44.46	441.30	9.57	-34.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC(C)(C)C)C1	REAL300020269943	0	54	-1.0	-49.87	415.66	8.83	-41.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC(C)(C)C)C1	REAL300020269943	1	54	-1.0	-49.87	415.72	8.85	-41.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020269944	0	49	-1.0	-39.92	367.66	8.51	-31.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020269944	1	49	-1.0	-39.92	367.72	8.53	-31.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020269945	0	46	-1.0	-43.46	342.41	7.78	-35.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020269945	1	46	-1.0	-43.46	342.46	7.80	-35.66
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020269946	0	53	-1.0	-42.99	382.60	9.69	-33.30
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020269946	1	53	-1.0	-42.93	382.62	9.68	-33.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020269947	0	43	-1.0	-46.84	350.27	5.66	-41.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020269947	1	43	-1.0	-46.80	350.33	5.68	-41.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020269948	0	40	-1.0	-43.64	329.81	5.17	-38.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020269948	1	40	-1.0	-43.64	329.75	5.14	-38.50
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020269949	0	47	-1.0	-49.30	375.52	7.18	-42.12
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020269949	1	47	-1.0	-49.27	375.55	7.18	-42.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)OC3=CC=CC=C32)C1	REAL300020269950	0	49	-1.0	-55.36	387.20	8.07	-47.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)OC3=CC=CC=C32)C1	REAL300020269950	1	49	-1.0	-55.37	387.26	8.09	-47.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)OC3=CC=CC=C32)C1	REAL300020269951	0	46	-1.0	-55.54	382.08	7.60	-47.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)OC3=CC=CC=C32)C1	REAL300020269951	1	46	-1.0	-55.55	382.14	7.63	-47.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)C2=CC=CC=C2)C1	REAL300020269952	0	46	-1.0	-54.74	382.91	5.45	-49.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)C2=CC=CC=C2)C1	REAL300020269952	1	46	-1.0	-54.74	382.97	5.48	-49.26
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC)C1CCOCC1	REAL300020269953	0	48	-1.0	-40.73	375.65	6.97	-33.76
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC)C1CCOCC1	REAL300020269953	1	48	-1.0	-40.80	375.71	6.99	-33.81
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC)C1CCOCC1	REAL300020269954	0	45	-1.0	-43.25	359.81	5.23	-38.02
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC)C1CCOCC1	REAL300020269954	1	45	-1.0	-43.28	359.87	5.25	-38.03
C#CCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC)C1CCOCC1	REAL300020269955	0	52	-1.0	-45.16	398.33	8.81	-36.35
C#CCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC)C1CCOCC1	REAL300020269955	1	52	-1.0	-45.12	398.36	8.79	-36.33
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC)C1CCCC1	REAL300020269956	0	47	-1.0	-40.82	375.43	8.34	-32.48
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC)C1CCCC1	REAL300020269956	1	47	-1.0	-40.87	375.48	8.36	-32.51
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC)C1CCCC1	REAL300020269957	0	44	-1.0	-44.18	351.77	7.07	-37.11
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC)C1CCCC1	REAL300020269957	1	44	-1.0	-44.18	351.71	7.05	-37.13
C#CCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC)C1CCCC1	REAL300020269958	0	51	-1.0	-43.07	400.43	9.72	-33.35
C#CCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC)C1CCCC1	REAL300020269958	1	51	-1.0	-43.05	400.44	9.71	-33.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020269959	0	50	-1.0	-43.11	403.85	7.43	-35.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020269959	1	50	-1.0	-43.15	403.91	7.45	-35.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020269960	0	47	-1.0	-45.81	382.01	6.82	-38.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020269960	1	47	-1.0	-45.79	382.07	6.84	-38.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1	REAL300020269961	0	50	-1.0	-40.47	391.67	5.39	-35.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1	REAL300020269961	1	50	-1.0	-40.51	391.73	5.40	-35.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1	REAL300020269962	0	47	-1.0	-42.63	368.88	4.85	-37.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1	REAL300020269962	1	47	-1.0	-42.63	368.94	4.87	-37.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020269963	0	40	-1.0	-40.80	341.70	7.80	-33.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020269963	1	40	-1.0	-40.82	341.76	7.82	-33.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020269964	0	37	-1.0	-43.11	326.08	7.00	-36.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020269964	1	37	-1.0	-43.14	326.03	6.97	-36.17
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020269965	0	44	-1.0	-42.50	374.81	9.92	-32.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020269965	1	44	-1.0	-42.49	374.84	9.91	-32.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020269966	0	43	-1.0	-51.56	343.75	2.95	-48.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020269966	1	43	-1.0	-51.55	343.81	2.96	-48.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020269967	0	40	-1.0	-55.38	322.12	2.42	-52.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020269967	1	40	-1.0	-55.38	322.18	2.45	-52.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020269968	0	43	-1.0	-43.81	344.42	7.15	-36.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020269968	1	43	-1.0	-43.82	344.48	7.16	-36.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020269969	0	40	-1.0	-45.10	322.80	6.36	-38.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020269969	1	40	-1.0	-45.13	322.86	6.38	-38.75
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020269970	0	47	-1.0	-45.83	372.62	9.13	-36.70
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020269970	1	47	-1.0	-45.83	372.66	9.12	-36.71
C=CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269971	0	45	-1.0	-40.93	347.48	6.62	-34.31
C=CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269971	1	45	-1.0	-40.89	347.53	6.63	-34.26
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269972	0	49	-1.0	-42.48	384.72	8.87	-33.61
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269972	1	49	-1.0	-42.47	384.76	8.86	-33.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020269973	0	44	-1.0	-40.14	352.19	7.02	-33.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020269973	1	44	-1.0	-40.16	352.25	7.04	-33.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020269974	0	41	-1.0	-42.43	331.47	6.44	-35.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020269974	1	41	-1.0	-42.50	331.53	6.47	-36.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020269975	0	48	-1.0	-43.02	381.35	9.19	-33.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020269975	1	48	-1.0	-43.00	381.39	9.19	-33.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020269976	0	55	-1.0	-40.39	426.90	10.97	-29.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020269976	1	55	-1.0	-40.37	426.96	10.99	-29.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020269977	0	52	-1.0	-43.24	405.41	10.18	-33.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020269977	1	52	-1.0	-43.27	405.47	10.20	-33.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020269978	0	55	-1.0	-40.61	430.83	11.12	-29.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020269978	1	55	-1.0	-40.66	430.89	11.14	-29.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020269979	0	52	-1.0	-42.33	414.41	10.15	-32.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020269979	1	52	-1.0	-42.37	414.47	10.17	-32.20
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269980	0	42	-1.0	-44.86	346.51	8.70	-36.16
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269980	1	42	-1.0	-44.77	346.53	8.69	-36.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020269981	0	47	-1.0	-41.76	392.00	7.30	-34.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020269981	1	47	-1.0	-41.76	392.06	7.32	-34.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020269982	0	44	-1.0	-42.69	375.30	6.67	-36.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020269982	1	44	-1.0	-42.68	375.36	6.69	-35.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020269983	0	46	-1.0	-47.85	383.46	5.22	-42.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020269983	1	46	-1.0	-47.89	383.52	5.23	-42.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020269984	0	43	-1.0	-51.88	357.78	4.46	-47.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020269984	1	43	-1.0	-51.85	357.84	4.47	-47.38
CCC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269985	0	46	-1.0	-41.34	364.36	8.30	-33.04
CCC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269985	1	46	-1.0	-41.36	364.42	8.31	-33.05
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020269986	0	43	-1.0	-45.04	339.47	7.35	-37.69
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020269986	1	43	-1.0	-45.04	339.41	7.32	-37.72
CCC1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269987	0	50	-1.0	-42.86	392.72	9.26	-33.60
CCC1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269987	1	50	-1.0	-42.87	392.75	9.26	-33.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020269988	0	50	-1.0	-41.98	383.16	7.21	-34.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020269988	1	50	-1.0	-42.03	383.22	7.23	-34.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020269989	0	47	-1.0	-42.75	356.87	4.88	-37.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020269989	1	47	-1.0	-42.74	356.93	4.91	-37.83
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCCCO1	REAL300020269990	0	54	-1.0	-45.50	395.62	7.59	-37.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCCCO1	REAL300020269990	1	54	-1.0	-45.46	395.66	7.58	-37.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020269991	0	49	-1.0	-44.14	411.59	8.91	-35.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020269991	1	49	-1.0	-44.13	411.65	8.93	-35.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020269992	0	46	-1.0	-48.22	389.80	8.13	-40.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020269992	1	46	-1.0	-48.21	389.86	8.15	-40.06
C#CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020269993	0	41	-1.0	-41.12	337.88	6.53	-34.59
C#CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020269993	1	41	-1.0	-41.11	337.94	6.54	-34.57
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020269994	0	45	-1.0	-45.00	356.40	9.14	-35.86
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020269994	1	45	-1.0	-44.94	356.53	9.12	-35.82
CCOC1=CC=C(CCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C=C1	REAL300020269995	0	52	-1.0	-42.49	425.17	8.87	-33.62
CCOC1=CC=C(CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C=C1	REAL300020269995	1	52	-1.0	-42.50	425.22	8.88	-33.62
CCOC1=CC=C(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C=C1	REAL300020269996	0	49	-1.0	-44.25	403.60	8.09	-36.16
CCOC1=CC=C(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C=C1	REAL300020269996	1	49	-1.0	-44.25	403.65	8.12	-36.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2C)CC1	REAL300020269997	0	48	-1.0	-42.19	400.97	8.10	-34.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2C)CC1	REAL300020269997	1	48	-1.0	-42.20	401.02	8.13	-34.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020269998	0	49	-1.0	-44.36	407.28	4.47	-39.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020269998	1	49	-1.0	-44.37	407.34	4.48	-39.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020269999	0	46	-1.0	-46.76	389.57	3.80	-42.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020269999	1	46	-1.0	-46.73	389.63	3.83	-42.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020270000	0	53	-1.0	-41.68	383.87	6.67	-35.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020270000	1	53	-1.0	-41.69	383.93	6.69	-35.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020270001	0	50	-1.0	-44.12	367.30	6.05	-38.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020270001	1	50	-1.0	-44.17	367.36	6.07	-38.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020270002	0	48	-1.0	-41.28	383.56	4.93	-36.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020270002	1	48	-1.0	-41.30	383.62	4.94	-36.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020270003	0	45	-1.0	-42.46	362.06	4.14	-38.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020270003	1	45	-1.0	-42.44	362.12	4.17	-38.27
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020270004	0	52	-1.0	-42.59	417.00	6.73	-35.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020270004	1	52	-1.0	-42.58	417.06	6.72	-35.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2C)CC1	REAL300020270005	0	53	-1.0	-40.02	425.33	10.96	-29.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2C)CC1	REAL300020270005	1	53	-1.0	-40.01	425.39	10.97	-29.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2C)CC1	REAL300020270006	0	50	-1.0	-42.93	399.78	10.23	-32.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2C)CC1	REAL300020270006	1	50	-1.0	-42.94	399.84	10.25	-32.69
CCCOC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020270007	0	50	-1.0	-43.22	403.80	6.46	-36.76
CCCOC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270007	1	50	-1.0	-43.28	403.85	6.47	-36.81
CCCOC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270008	0	47	-1.0	-45.27	385.96	5.78	-39.49
CCCOC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270008	1	47	-1.0	-45.30	386.02	5.81	-39.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CN(C3CC3)N=N2)CC1	REAL300020270009	0	50	-1.0	-48.04	413.78	5.43	-42.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CN(C3CC3)N=N2)CC1	REAL300020270009	1	50	-1.0	-48.07	413.72	5.41	-42.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020270010	0	46	-1.0	-40.81	384.65	6.33	-34.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020270010	1	46	-1.0	-40.85	384.70	6.34	-34.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020270011	0	43	-1.0	-43.73	362.80	5.72	-38.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020270011	1	43	-1.0	-43.77	362.86	5.73	-38.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020270012	0	43	-1.0	-44.77	348.76	3.62	-41.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020270012	1	43	-1.0	-44.77	348.81	3.63	-41.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020270013	0	40	-1.0	-48.05	328.84	2.82	-45.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020270013	1	40	-1.0	-48.05	328.79	2.79	-45.26
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020270014	0	47	-1.0	-47.25	383.79	5.54	-41.71
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020270014	1	47	-1.0	-47.25	383.82	5.53	-41.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020270015	0	43	-1.0	-42.41	364.99	5.08	-37.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020270015	1	43	-1.0	-42.40	365.04	5.10	-37.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020270016	0	40	-1.0	-42.69	350.07	4.54	-38.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020270016	1	40	-1.0	-42.70	350.13	4.56	-38.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020270017	0	45	-1.0	-41.20	379.72	6.77	-34.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020270017	1	45	-1.0	-41.21	379.78	6.79	-34.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020270018	0	42	-1.0	-43.85	353.98	6.05	-37.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020270018	1	42	-1.0	-43.89	354.04	6.06	-37.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN=S(C)(=O)N(C)C)CC1	REAL300020270019	0	54	-1.0	-52.75	432.83	3.90	-48.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN=S(C)(=O)N(C)C)CC1	REAL300020270019	1	54	-1.0	-52.73	432.88	3.93	-48.80
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270020	0	46	-1.0	-45.36	366.56	11.40	-33.96
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270020	1	46	-1.0	-45.34	366.62	11.42	-33.92
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270021	0	43	-1.0	-48.45	339.69	10.74	-37.71
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270021	1	43	-1.0	-48.45	339.63	10.72	-37.73
CCC1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270022	0	50	-1.0	-47.04	394.07	13.35	-33.69
CCC1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270022	1	50	-1.0	-47.01	394.08	13.35	-33.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC(C(=O)OC)=CC=C2C1	REAL300020270023	0	50	-1.0	-43.23	409.52	7.80	-35.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC(C(=O)OC)=CC=C2C1	REAL300020270023	1	50	-1.0	-43.28	409.58	7.81	-35.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC(C(=O)OC)=CC=C2C1	REAL300020270024	0	47	-1.0	-45.43	387.19	7.19	-38.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC(C(=O)OC)=CC=C2C1	REAL300020270024	1	47	-1.0	-45.47	387.25	7.20	-38.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020270025	0	43	-1.0	-40.91	325.74	6.76	-34.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020270025	1	43	-1.0	-40.90	325.80	6.78	-34.12
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020270026	0	47	-1.0	-42.79	357.89	8.85	-33.94
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020270026	1	47	-1.0	-42.77	357.92	8.85	-33.92
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020270027	0	41	-1.0	-41.97	338.15	7.93	-34.04
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020270027	1	41	-1.0	-41.95	338.20	7.93	-34.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)CC(F)(F)F)CC1	REAL300020270028	0	50	-1.0	-40.96	397.48	6.12	-34.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)CC(F)(F)F)CC1	REAL300020270028	1	50	-1.0	-40.95	397.54	6.13	-34.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)CC(F)(F)F)CC1	REAL300020270029	0	47	-1.0	-43.87	375.98	5.52	-38.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)CC(F)(F)F)CC1	REAL300020270029	1	47	-1.0	-43.85	376.04	5.55	-38.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020270030	0	45	-1.0	-45.57	363.18	0.61	-44.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020270030	1	45	-1.0	-45.57	363.24	0.62	-44.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020270031	0	42	-1.0	-49.29	341.68	-0.18	-49.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020270031	1	42	-1.0	-49.26	341.74	-0.15	-49.41
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020270032	0	49	-1.0	-46.80	394.07	2.73	-44.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020270032	1	49	-1.0	-46.77	394.08	2.72	-44.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(C1)CCOCC2	REAL300020270033	0	53	-1.0	-45.10	405.86	6.12	-38.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(C1)CCOCC2	REAL300020270033	1	53	-1.0	-45.08	405.92	6.14	-38.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(C1)CCOCC2	REAL300020270034	0	50	-1.0	-48.89	386.87	5.48	-43.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(C1)CCOCC2	REAL300020270034	1	50	-1.0	-48.93	386.93	5.50	-43.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020270035	0	45	-1.0	-40.32	349.61	5.61	-34.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020270035	1	45	-1.0	-40.31	349.67	5.62	-34.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020270036	0	42	-1.0	-42.36	319.50	4.75	-37.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020270036	1	42	-1.0	-42.36	319.55	4.78	-37.58
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020270037	0	49	-1.0	-44.54	377.92	7.61	-36.93
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020270037	1	49	-1.0	-44.56	377.96	7.60	-36.96
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270038	0	46	-1.0	-41.88	371.09	9.06	-32.82
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270038	1	46	-1.0	-41.81	371.13	9.04	-32.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020270039	0	55	0.0	-66.18	415.06	10.14	-56.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020270039	1	55	0.0	-69.25	408.72	9.45	-59.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020270039	1	54	-1.0	-40.84	426.11	7.88	-32.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020270039	1	54	-1.0	-40.81	426.16	7.90	-32.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020270040	0	52	0.0	-64.43	393.61	9.57	-54.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020270040	1	52	0.0	-65.40	402.29	9.55	-55.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020270040	1	51	-1.0	-43.10	395.68	6.53	-36.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020270040	1	51	-1.0	-43.07	395.74	6.56	-36.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020270041	0	40	-1.0	-41.29	346.22	4.87	-36.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020270041	1	40	-1.0	-41.31	346.28	4.89	-36.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020270042	0	37	-1.0	-43.83	321.12	4.22	-39.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020270042	1	37	-1.0	-43.87	321.18	4.24	-39.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020270043	0	44	-1.0	-43.89	374.14	7.07	-36.82
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020270043	1	44	-1.0	-43.89	374.17	7.06	-36.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020270044	0	40	-1.0	-41.24	346.19	4.88	-36.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020270044	1	40	-1.0	-41.21	346.25	4.90	-36.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020270045	0	37	-1.0	-43.37	324.64	4.10	-39.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020270045	1	37	-1.0	-43.36	324.69	4.12	-39.24
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020270046	0	44	-1.0	-43.51	374.43	6.87	-36.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020270046	1	44	-1.0	-43.40	374.46	6.86	-36.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020270047	0	42	-1.0	-43.38	355.58	5.51	-37.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020270047	1	42	-1.0	-43.40	355.63	5.52	-37.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020270048	0	39	-1.0	-47.03	333.83	4.74	-42.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020270048	1	39	-1.0	-47.08	333.78	4.72	-42.36
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020270049	0	46	-1.0	-45.30	378.04	7.82	-37.48
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020270049	1	46	-1.0	-45.28	378.09	7.81	-37.47
CCOC(=O)C1(COC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020270050	0	55	-1.0	-46.93	432.80	7.88	-39.05
CCOC(=O)C1(COC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270050	1	55	-1.0	-46.95	432.86	7.89	-39.06
CCOC(=O)C1(COC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270051	0	52	-1.0	-49.63	415.02	7.21	-42.42
CCOC(=O)C1(COC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270051	1	52	-1.0	-49.65	415.06	7.24	-42.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020270052	0	43	-1.0	-45.01	347.85	4.99	-40.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020270052	1	43	-1.0	-45.00	347.91	5.01	-39.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020270053	0	40	-1.0	-45.28	326.33	4.21	-41.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020270053	1	40	-1.0	-45.31	326.39	4.24	-41.07
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020270054	0	47	-1.0	-48.20	375.11	6.96	-41.24
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020270054	1	47	-1.0	-48.20	375.14	6.95	-41.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020270055	0	47	-1.0	-41.07	380.07	8.47	-32.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020270055	1	47	-1.0	-41.07	380.13	8.48	-32.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020270056	0	44	-1.0	-48.53	350.01	7.48	-41.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020270056	1	44	-1.0	-48.54	349.96	7.45	-41.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020270057	0	44	-1.0	-46.07	365.05	7.71	-38.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020270057	1	44	-1.0	-46.11	365.10	7.72	-38.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020270058	0	41	-1.0	-46.96	345.14	7.85	-39.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020270058	1	41	-1.0	-46.94	345.08	7.82	-39.12
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020270059	0	48	-1.0	-45.71	394.43	10.56	-35.15
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020270059	1	48	-1.0	-45.64	394.47	10.55	-35.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020270060	0	45	-1.0	-48.52	347.92	6.61	-41.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020270060	1	45	-1.0	-48.54	347.98	6.63	-41.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020270061	0	42	-1.0	-50.50	328.00	6.26	-44.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020270061	1	42	-1.0	-50.46	328.06	6.29	-44.17
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020270062	0	49	-1.0	-51.60	368.07	8.81	-42.79
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020270062	1	49	-1.0	-51.61	368.10	8.80	-42.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2OC)CC1	REAL300020270063	0	55	-1.0	-43.79	426.03	7.94	-35.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2OC)CC1	REAL300020270063	1	55	-1.0	-43.81	426.09	7.96	-35.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2OC)CC1	REAL300020270064	0	52	-1.0	-47.95	391.32	6.64	-41.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2OC)CC1	REAL300020270064	1	52	-1.0	-47.98	391.38	6.66	-41.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020270065	0	43	-1.0	-40.68	337.41	4.14	-36.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020270065	1	43	-1.0	-40.68	337.47	4.16	-36.52
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOCC1	REAL300020270066	0	47	-1.0	-42.49	368.76	6.17	-36.32
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOCC1	REAL300020270066	1	47	-1.0	-42.48	368.80	6.16	-36.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300020270067	0	47	-1.0	-40.87	391.87	8.18	-32.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300020270067	1	47	-1.0	-40.87	391.92	8.20	-32.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300020270068	0	44	-1.0	-44.75	364.20	7.42	-37.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300020270068	1	44	-1.0	-44.77	364.26	7.45	-37.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020270069	0	45	-1.0	-43.70	348.38	4.22	-39.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020270069	1	45	-1.0	-43.68	348.44	4.23	-39.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020270070	0	42	-1.0	-46.84	326.74	3.44	-43.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020270070	1	42	-1.0	-46.81	326.79	3.46	-43.35
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)COCCO2	REAL300020270071	0	49	-1.0	-45.37	380.35	6.38	-38.99
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)COCCO2	REAL300020270071	1	49	-1.0	-45.36	380.39	6.37	-38.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CCC1C	REAL300020270072	0	42	-1.0	-39.82	342.73	6.51	-33.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CCC1C	REAL300020270072	1	42	-1.0	-39.85	342.79	6.53	-33.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CCC1C	REAL300020270073	0	39	-1.0	-42.00	317.61	5.32	-36.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CCC1C	REAL300020270073	1	39	-1.0	-42.01	317.67	5.33	-36.68
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(F)(F)CCC1C	REAL300020270074	0	46	-1.0	-41.91	371.99	7.94	-33.97
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(F)(F)CCC1C	REAL300020270074	1	46	-1.0	-41.91	372.02	7.92	-33.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020270075	0	44	-1.0	-43.93	341.82	5.37	-38.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020270075	1	44	-1.0	-43.95	341.87	5.39	-38.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020270076	0	41	-1.0	-43.64	325.99	4.78	-38.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020270076	1	41	-1.0	-43.62	326.05	4.80	-38.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCO2)C1	REAL300020270077	0	48	-1.0	-43.92	369.83	7.39	-36.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCO2)C1	REAL300020270077	1	48	-1.0	-43.91	369.85	7.38	-36.53
CCOC(=O)C1(CC(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270078	0	51	-1.0	-43.78	408.16	8.20	-35.58
CCOC(=O)C1(CC(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270078	1	51	-1.0	-43.78	408.22	8.22	-35.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020270079	0	46	-1.0	-47.05	361.23	3.60	-43.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020270079	1	46	-1.0	-47.08	361.29	3.62	-43.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020270080	0	43	-1.0	-50.73	338.67	3.01	-47.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020270080	1	43	-1.0	-50.76	338.73	3.03	-47.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020270081	0	49	-1.0	-39.74	385.80	8.92	-30.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020270081	1	49	-1.0	-39.71	385.86	8.94	-30.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020270082	0	46	-1.0	-42.58	359.58	8.15	-34.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020270082	1	46	-1.0	-42.55	359.52	8.13	-34.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020270083	0	55	0.0	-67.40	406.09	8.78	-58.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020270083	1	55	0.0	-67.43	406.15	8.79	-58.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020270084	0	52	0.0	-67.12	384.59	7.99	-59.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020270084	1	52	0.0	-67.12	384.64	8.02	-59.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C(C(=O)OC)C1	REAL300020270085	0	48	-1.0	-52.68	391.28	6.63	-46.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C(C(=O)OC)C1	REAL300020270085	1	48	-1.0	-52.66	391.33	6.64	-46.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C(C(=O)OC)C1	REAL300020270086	0	45	-1.0	-53.79	371.91	5.82	-47.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C(C(=O)OC)C1	REAL300020270086	1	45	-1.0	-53.79	371.96	5.84	-47.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020270087	0	49	-1.0	-42.97	370.68	9.26	-33.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020270087	1	49	-1.0	-43.01	370.74	9.27	-33.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020270088	0	46	-1.0	-45.03	363.42	8.66	-36.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020270088	1	46	-1.0	-45.02	363.36	8.63	-36.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C2=CC=CC=C2Cl)OC[C@H]1C	REAL300020270089	0	47	-1.0	-45.73	392.64	7.21	-38.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C2=CC=CC=C2Cl)OC[C@H]1C	REAL300020270089	1	47	-1.0	-45.76	392.68	7.24	-38.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOCCO)CCC1=CC=CC=C1	REAL300020270090	0	53	-1.0	-49.43	438.83	5.16	-44.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOCCO)CCC1=CC=CC=C1	REAL300020270090	1	53	-1.0	-49.41	438.89	5.19	-44.22
CCC1=NN(C)C(CC)=C1NC1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270091	0	48	-1.0	-46.84	387.89	8.04	-38.80
CCC1=NN(C)C(CC)=C1NC1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270091	1	48	-1.0	-46.86	387.95	8.06	-38.80
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270092	0	45	-1.0	-48.34	371.15	7.43	-40.91
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270092	1	45	-1.0	-48.39	371.10	7.40	-40.99
CCC1=NN(C)C(CC)=C1NC1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270093	0	52	-1.0	-48.61	421.62	10.17	-38.44
CCC1=NN(C)C(CC)=C1NC1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270093	1	52	-1.0	-48.59	421.67	10.16	-38.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020270094	0	46	-1.0	-39.45	350.92	6.03	-33.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020270094	1	46	-1.0	-39.50	350.97	6.04	-33.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020270095	0	43	-1.0	-44.18	310.25	3.78	-40.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020270095	1	43	-1.0	-44.22	310.31	3.80	-40.42
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020270096	0	50	-1.0	-41.96	378.72	8.26	-33.70
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020270096	1	50	-1.0	-41.89	378.77	8.24	-33.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020270097	0	44	-1.0	-40.81	343.75	5.21	-35.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020270097	1	44	-1.0	-40.74	343.81	5.22	-35.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020270098	0	41	-1.0	-43.62	325.92	4.56	-39.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020270098	1	41	-1.0	-43.61	325.98	4.58	-39.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020270099	0	48	-1.0	-43.52	374.65	7.35	-36.17
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020270099	1	48	-1.0	-43.47	374.70	7.34	-36.13
C=CCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270100	0	45	-1.0	-39.75	369.70	7.75	-32.00
C=CCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270100	1	45	-1.0	-39.75	369.75	7.77	-31.98
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270101	0	49	-1.0	-41.64	397.88	9.74	-31.90
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270101	1	49	-1.0	-41.59	397.92	9.73	-31.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020270102	0	52	-1.0	-43.23	417.41	8.95	-34.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020270102	1	52	-1.0	-43.25	417.47	8.96	-34.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020270103	0	49	-1.0	-43.49	403.26	8.05	-35.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020270103	1	49	-1.0	-43.54	403.31	8.08	-35.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020270104	0	59	0.0	-65.45	413.77	6.64	-58.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020270104	1	59	0.0	-65.08	413.91	6.69	-58.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020270104	1	59	0.0	-65.44	413.83	6.65	-58.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020270104	1	59	0.0	-65.07	413.97	6.71	-58.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020270105	0	56	0.0	-61.09	392.19	6.05	-55.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020270105	1	56	0.0	-60.14	396.06	6.01	-54.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020270105	1	56	0.0	-61.07	392.25	6.07	-55.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020270105	1	56	0.0	-60.16	396.12	6.03	-54.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020270106	0	39	-1.0	-41.32	326.58	6.21	-35.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020270106	1	39	-1.0	-41.34	326.64	6.22	-35.12
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020270107	0	43	-1.0	-43.39	358.89	8.33	-35.06
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020270107	1	43	-1.0	-43.30	358.92	8.32	-34.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC1OC	REAL300020270108	0	43	-1.0	-41.94	347.64	5.31	-36.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC1OC	REAL300020270108	1	43	-1.0	-41.94	347.70	5.33	-36.61
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1OC	REAL300020270109	0	47	-1.0	-44.65	376.92	7.40	-37.25
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC1OC	REAL300020270109	1	47	-1.0	-44.61	376.97	7.39	-37.22
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020270110	0	44	-1.0	-42.88	355.45	5.76	-37.12
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020270110	1	44	-1.0	-42.87	355.50	5.77	-37.10
C=CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020270111	0	41	-1.0	-44.75	343.09	5.19	-39.56
C=CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020270111	1	41	-1.0	-44.74	343.14	5.21	-39.53
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020270112	0	48	-1.0	-44.77	383.09	7.72	-37.05
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020270112	1	48	-1.0	-44.73	383.12	7.72	-37.01
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020270113	0	44	-1.0	-41.33	358.50	8.07	-33.26
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270113	1	44	-1.0	-41.32	358.56	8.08	-33.24
C#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270114	0	41	-1.0	-43.92	336.09	7.38	-36.54
C#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270114	1	41	-1.0	-43.91	336.15	7.41	-36.50
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020270115	0	48	-1.0	-43.50	386.59	10.03	-33.47
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020270115	1	48	-1.0	-43.52	386.63	10.02	-33.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020270116	0	50	-1.0	-45.43	395.74	8.72	-36.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020270116	1	50	-1.0	-45.40	395.79	8.73	-36.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020270117	0	47	-1.0	-45.76	380.81	7.90	-37.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020270117	1	47	-1.0	-45.73	380.75	7.88	-37.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300020270118	0	46	-1.0	-41.41	374.99	8.03	-33.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300020270118	1	46	-1.0	-41.42	375.04	8.05	-33.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300020270119	0	43	-1.0	-43.14	350.15	7.68	-35.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300020270119	1	43	-1.0	-43.12	350.21	7.71	-35.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020270120	0	52	-1.0	-40.20	395.27	9.34	-30.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020270120	1	52	-1.0	-40.23	395.33	9.36	-30.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020270121	0	49	-1.0	-42.09	377.49	8.68	-33.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020270121	1	49	-1.0	-42.14	377.55	8.70	-33.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020270122	0	56	-1.0	-42.98	415.81	11.32	-31.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020270122	1	56	-1.0	-42.98	415.84	11.31	-31.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020270123	0	46	-1.0	-43.63	381.75	4.63	-39.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020270123	1	46	-1.0	-43.61	381.81	4.64	-38.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020270124	0	43	-1.0	-45.35	359.60	4.05	-41.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020270124	1	43	-1.0	-45.37	359.65	4.07	-41.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020270125	0	46	-1.0	-40.68	368.50	5.81	-34.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020270125	1	46	-1.0	-40.66	368.56	5.82	-34.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020270126	0	43	-1.0	-43.59	347.04	5.02	-38.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020270126	1	43	-1.0	-43.61	347.10	5.04	-38.57
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020270127	0	50	-1.0	-43.91	387.83	7.84	-36.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020270127	1	50	-1.0	-43.86	387.87	7.85	-36.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020270128	0	43	-1.0	-41.79	342.59	3.69	-38.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020270128	1	43	-1.0	-41.77	342.65	3.71	-38.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020270129	0	40	-1.0	-42.78	326.14	3.09	-39.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020270129	1	40	-1.0	-42.78	326.08	3.07	-39.71
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020270130	0	47	-1.0	-43.86	377.50	5.88	-37.98
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020270130	1	47	-1.0	-43.84	377.55	5.88	-37.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020270131	0	50	-1.0	-42.84	390.52	4.40	-38.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020270131	1	50	-1.0	-42.87	390.58	4.41	-38.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020270132	0	47	-1.0	-46.12	366.27	3.88	-42.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020270132	1	47	-1.0	-46.09	366.32	3.91	-42.18
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020270133	0	54	-1.0	-44.49	418.19	6.35	-38.14
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020270133	1	54	-1.0	-44.44	418.22	6.34	-38.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(=O)OC)CC1	REAL300020270134	0	52	-1.0	-43.35	420.89	7.17	-36.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(=O)OC)CC1	REAL300020270134	1	52	-1.0	-43.37	420.95	7.18	-36.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(=O)OC)CC1	REAL300020270135	0	49	-1.0	-45.69	399.99	6.45	-39.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(=O)OC)CC1	REAL300020270135	1	49	-1.0	-45.68	400.05	6.48	-39.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CC(C)CS2(=O)=O)C1	REAL300020270136	0	51	-1.0	-49.22	414.21	4.21	-45.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CC(C)CS2(=O)=O)C1	REAL300020270136	1	51	-1.0	-49.27	414.27	4.24	-45.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020270137	0	50	-1.0	-47.96	391.56	3.44	-44.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020270137	1	50	-1.0	-47.98	391.62	3.46	-44.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020270138	0	47	-1.0	-50.21	375.05	2.82	-47.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020270138	1	47	-1.0	-50.22	375.10	2.85	-47.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020270139	0	43	-1.0	-40.32	319.89	2.25	-38.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020270139	1	43	-1.0	-40.33	319.95	2.27	-38.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020270140	0	40	-1.0	-49.89	319.84	2.77	-47.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020270140	1	40	-1.0	-49.89	319.90	2.80	-47.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(C)C	REAL300020270141	0	47	-1.0	-39.62	370.19	7.60	-32.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(C)C	REAL300020270141	1	47	-1.0	-39.61	370.25	7.62	-31.99
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC(C)C	REAL300020270142	0	51	-1.0	-41.28	402.64	9.69	-31.59
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC(C)C	REAL300020270142	1	51	-1.0	-41.24	402.68	9.68	-31.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020270143	0	42	-1.0	-45.47	354.28	7.44	-38.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020270143	1	42	-1.0	-45.50	354.34	7.45	-38.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020270144	0	39	-1.0	-46.53	332.72	6.66	-39.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020270144	1	39	-1.0	-46.51	332.78	6.69	-39.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1C=CN=C1	REAL300020270145	0	46	-1.0	-48.71	375.44	9.52	-39.19
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1C=CN=C1	REAL300020270145	1	46	-1.0	-48.69	375.47	9.51	-39.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCN1CCOCC1	REAL300020270146	0	51	-1.0	-40.87	402.23	4.13	-36.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020270146	1	51	-1.0	-40.89	402.29	4.14	-36.75
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020270146	1	52	0.0	-68.22	400.54	6.31	-61.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCN1CCOCC1	REAL300020270147	0	48	-1.0	-43.81	376.60	3.40	-40.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020270147	1	48	-1.0	-43.78	376.65	3.42	-40.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020270147	1	49	0.0	-69.07	383.24	5.65	-63.42
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCN1CCOCC1	REAL300020270148	0	55	-1.0	-43.65	424.54	6.28	-37.37
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCN1CCOCC1	REAL300020270148	1	55	-1.0	-43.67	424.57	6.27	-37.40
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020270148	1	56	0.0	-72.31	432.96	8.38	-63.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020270149	0	50	-1.0	-42.83	405.13	7.16	-35.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020270149	1	50	-1.0	-42.85	405.18	7.17	-35.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020270150	0	47	-1.0	-43.85	383.41	6.35	-37.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020270150	1	47	-1.0	-43.89	383.47	6.37	-37.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020270151	0	46	-1.0	-40.32	371.25	8.11	-32.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020270151	1	46	-1.0	-40.33	371.31	8.12	-32.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020270152	0	43	-1.0	-42.85	353.39	7.45	-35.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020270152	1	43	-1.0	-42.86	353.45	7.47	-35.39
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCSCC1	REAL300020270153	0	50	-1.0	-43.43	396.15	10.31	-33.12
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCSCC1	REAL300020270153	1	50	-1.0	-43.40	396.19	10.30	-33.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020270154	0	42	-1.0	-42.57	345.82	6.83	-35.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020270154	1	42	-1.0	-42.60	345.88	6.85	-35.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020270155	0	39	-1.0	-43.08	331.20	6.10	-36.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020270155	1	39	-1.0	-43.11	331.25	6.13	-36.98
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=CN1C	REAL300020270156	0	46	-1.0	-44.58	373.67	8.95	-35.63
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=CN1C	REAL300020270156	1	46	-1.0	-44.56	373.69	8.95	-35.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270157	0	55	0.0	-76.45	419.15	7.61	-68.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270157	1	55	0.0	-79.09	408.09	7.78	-71.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270157	1	55	0.0	-76.50	419.21	7.62	-68.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270157	1	55	0.0	-79.09	408.15	7.79	-71.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270158	0	52	0.0	-78.20	383.52	6.80	-71.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270158	1	52	0.0	-79.09	400.64	7.21	-71.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270158	1	52	0.0	-78.24	383.58	6.83	-71.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020270158	1	52	0.0	-79.12	400.69	7.23	-71.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020270159	0	49	-1.0	-40.01	363.99	5.55	-34.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020270159	1	49	-1.0	-39.99	364.05	5.56	-34.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020270160	0	46	-1.0	-43.04	347.29	4.91	-38.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020270160	1	46	-1.0	-43.01	347.35	4.93	-38.08
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020270161	0	53	-1.0	-42.20	396.51	7.64	-34.56
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020270161	1	53	-1.0	-42.19	396.54	7.63	-34.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020270162	0	51	-1.0	-42.83	393.87	3.25	-39.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020270162	1	51	-1.0	-42.84	393.93	3.26	-39.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020270163	0	48	-1.0	-45.44	372.18	2.65	-42.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020270163	1	48	-1.0	-45.47	372.24	2.67	-42.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NSC3=CC=CC=C32)CC1	REAL300020270164	0	47	-1.0	-43.92	394.40	7.33	-36.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NSC3=CC=CC=C32)CC1	REAL300020270164	1	47	-1.0	-43.92	394.34	7.31	-36.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCOC)C1	REAL300020270165	0	49	-1.0	-41.64	388.33	6.66	-34.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCOC)C1	REAL300020270165	1	49	-1.0	-41.69	388.39	6.67	-35.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCOC)C1	REAL300020270166	0	46	-1.0	-44.48	367.70	5.67	-38.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCOC)C1	REAL300020270166	1	46	-1.0	-44.47	367.75	5.70	-38.77
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CCOC)C1	REAL300020270167	0	53	-1.0	-43.17	416.66	8.62	-34.55
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CCOC)C1	REAL300020270167	1	53	-1.0	-43.12	416.71	8.62	-34.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020270168	0	49	-1.0	-43.79	391.41	8.63	-35.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020270168	1	49	-1.0	-43.82	391.46	8.64	-35.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020270168	1	50	0.0	-65.70	394.90	9.16	-56.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020270169	0	46	-1.0	-45.99	369.57	8.02	-37.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020270169	1	46	-1.0	-45.99	369.62	8.03	-37.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020270169	1	47	0.0	-66.79	373.06	8.55	-58.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020270170	0	43	-1.0	-43.55	364.82	7.81	-35.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020270170	1	43	-1.0	-43.54	364.87	7.82	-35.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020270171	0	40	-1.0	-43.90	350.09	8.06	-35.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020270171	1	40	-1.0	-43.94	350.15	8.08	-35.86
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270172	0	44	-1.0	-42.00	345.47	6.22	-35.78
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270172	1	44	-1.0	-42.01	345.53	6.23	-35.78
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270173	0	41	-1.0	-44.73	306.66	5.12	-39.61
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270173	1	41	-1.0	-44.73	306.57	5.10	-39.63
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270174	0	48	-1.0	-43.62	378.82	8.38	-35.24
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270174	1	48	-1.0	-43.66	378.85	8.37	-35.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020270175	0	43	-1.0	-40.76	376.18	8.79	-31.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020270175	1	43	-1.0	-40.79	376.24	8.81	-31.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020270176	0	40	-1.0	-41.77	350.66	8.07	-33.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020270176	1	40	-1.0	-41.70	350.71	8.09	-33.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020270177	0	57	0.0	-60.94	416.67	7.92	-53.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020270177	1	57	0.0	-60.97	416.73	7.94	-53.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020270178	0	54	0.0	-62.19	395.13	7.12	-55.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020270178	1	54	0.0	-62.21	395.19	7.15	-55.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020270179	0	43	-1.0	-40.42	374.62	8.75	-31.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020270179	1	43	-1.0	-40.43	374.67	8.76	-31.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020270180	0	40	-1.0	-41.41	349.10	8.03	-33.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020270180	1	40	-1.0	-41.37	349.15	8.04	-33.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020270181	0	47	-1.0	-41.56	391.01	8.12	-33.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020270181	1	47	-1.0	-41.57	391.07	8.13	-33.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020270182	0	44	-1.0	-45.42	363.45	7.47	-37.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020270182	1	44	-1.0	-45.43	363.40	7.45	-37.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020270183	0	46	-1.0	-43.57	368.94	7.96	-35.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020270183	1	46	-1.0	-43.61	369.00	7.97	-35.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020270184	0	43	-1.0	-44.23	354.27	8.24	-35.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020270184	1	43	-1.0	-44.22	354.22	8.22	-36.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020270185	0	46	-1.0	-42.13	380.55	9.13	-33.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020270185	1	46	-1.0	-42.15	380.61	9.14	-33.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020270186	0	43	-1.0	-46.88	348.87	7.22	-39.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020270186	1	43	-1.0	-46.87	348.82	7.19	-39.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CN=CN2C(C)(C)C)C1	REAL300020270187	0	58	-1.0	-46.52	437.00	10.18	-36.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CN=CN2C(C)(C)C)C1	REAL300020270187	1	58	-1.0	-46.57	437.05	10.19	-36.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CN=CN2C(C)(C)C)C1	REAL300020270188	0	55	-1.0	-47.12	420.33	9.21	-37.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CN=CN2C(C)(C)C)C1	REAL300020270188	1	55	-1.0	-47.12	420.38	9.23	-37.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020270189	0	50	-1.0	-40.26	376.20	7.04	-33.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020270189	1	50	-1.0	-40.29	376.26	7.05	-33.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020270190	0	47	-1.0	-43.53	341.85	6.16	-37.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020270190	1	47	-1.0	-43.54	341.91	6.16	-37.38
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020270191	0	54	-1.0	-42.53	402.40	9.16	-33.37
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020270191	1	54	-1.0	-42.56	402.41	9.16	-33.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020270192	0	52	-1.0	-40.66	409.41	10.46	-30.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020270192	1	52	-1.0	-40.66	409.47	10.48	-30.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020270193	0	49	-1.0	-42.34	393.00	9.49	-32.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020270193	1	49	-1.0	-42.34	393.06	9.51	-32.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020270194	0	46	-1.0	-41.31	389.33	9.49	-31.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020270194	1	46	-1.0	-41.35	389.39	9.51	-31.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020270195	0	43	-1.0	-45.67	357.58	7.57	-38.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020270195	1	43	-1.0	-45.70	357.64	7.61	-38.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020270196	0	44	-1.0	-40.12	330.97	7.11	-33.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020270196	1	44	-1.0	-40.16	331.02	7.13	-33.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020270197	0	41	-1.0	-42.44	314.68	6.48	-35.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020270197	1	41	-1.0	-42.45	314.73	6.50	-35.95
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020270198	0	48	-1.0	-42.33	366.59	9.39	-32.94
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020270198	1	48	-1.0	-42.27	366.58	9.37	-32.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020270199	0	46	-1.0	-48.26	371.28	4.00	-44.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020270199	1	46	-1.0	-48.23	371.33	4.02	-44.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020270200	0	43	-1.0	-51.48	349.48	3.39	-48.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020270200	1	43	-1.0	-51.45	349.53	3.41	-48.04
CCOC(=O)C1(F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC12COC2	REAL300020270201	0	50	-1.0	-41.82	403.74	5.74	-36.08
CCOC(=O)C1(F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC12COC2	REAL300020270201	1	50	-1.0	-41.84	403.80	5.75	-36.09
CCOC(=O)C1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC12COC2	REAL300020270202	0	47	-1.0	-43.60	379.98	5.31	-38.29
CCOC(=O)C1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC12COC2	REAL300020270202	1	47	-1.0	-43.60	380.04	5.33	-38.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020270203	0	45	-1.0	-40.73	360.36	4.51	-36.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020270203	1	45	-1.0	-40.74	360.41	4.52	-36.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020270204	0	42	-1.0	-42.41	335.03	3.79	-38.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020270204	1	42	-1.0	-42.45	335.09	3.81	-38.64
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020270205	0	49	-1.0	-44.70	377.09	6.60	-38.10
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020270205	1	49	-1.0	-44.64	377.13	6.59	-38.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020270206	0	55	0.0	-74.90	437.05	10.39	-64.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CC=C(F)C=C2)CC1	REAL300020270206	1	54	-1.0	-41.42	436.97	8.10	-33.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CC=C(F)C=C2)CC1	REAL300020270206	1	54	-1.0	-41.43	437.03	8.11	-33.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020270207	0	52	0.0	-72.46	419.12	9.70	-62.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020270207	1	52	0.0	-72.48	419.18	9.73	-62.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CC=C(F)C=C2)CC1	REAL300020270207	1	51	-1.0	-43.80	415.49	7.31	-36.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CC=C(F)C=C2)CC1	REAL300020270207	1	51	-1.0	-43.79	415.55	7.34	-36.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020270208	0	50	-1.0	-42.98	394.81	4.65	-38.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020270208	1	50	-1.0	-42.92	394.87	4.66	-38.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020270209	0	47	-1.0	-45.31	368.00	3.95	-41.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020270209	1	47	-1.0	-45.32	368.05	3.98	-41.34
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020270210	0	54	-1.0	-44.02	423.78	6.55	-37.47
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020270210	1	54	-1.0	-43.99	423.80	6.54	-37.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020270211	0	48	-1.0	-41.01	357.37	7.95	-33.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020270211	1	48	-1.0	-41.04	357.43	7.96	-33.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020270212	0	45	-1.0	-42.76	339.64	6.74	-36.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020270212	1	45	-1.0	-42.77	339.70	6.77	-36.00
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020270213	0	52	-1.0	-42.87	384.98	9.26	-33.61
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020270213	1	52	-1.0	-42.79	385.01	9.26	-33.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020270214	0	47	-1.0	-40.52	377.94	6.22	-34.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020270214	1	47	-1.0	-40.54	377.99	6.24	-34.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020270215	0	44	-1.0	-42.99	356.43	5.44	-37.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020270215	1	44	-1.0	-43.02	356.49	5.46	-37.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020270216	0	44	-1.0	-41.84	347.89	5.52	-36.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020270216	1	44	-1.0	-41.90	347.95	5.53	-36.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020270217	0	41	-1.0	-44.41	331.36	4.88	-39.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020270217	1	41	-1.0	-44.41	331.41	4.91	-39.50
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020270218	0	48	-1.0	-43.19	385.97	7.77	-35.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020270218	1	48	-1.0	-43.22	385.99	7.76	-35.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020270219	0	50	-1.0	-49.87	382.55	6.14	-43.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020270219	1	50	-1.0	-49.91	382.61	6.16	-43.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020270220	0	47	-1.0	-51.30	362.72	5.30	-46.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020270220	1	47	-1.0	-51.29	362.77	5.33	-45.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020270221	0	49	-1.0	-48.86	382.42	6.29	-42.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020270221	1	49	-1.0	-48.87	382.47	6.30	-42.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020270222	0	46	-1.0	-53.97	360.32	5.75	-48.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020270222	1	46	-1.0	-53.98	360.38	5.78	-48.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020270223	0	43	-1.0	-50.18	337.78	5.88	-44.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020270223	1	43	-1.0	-50.17	337.83	5.89	-44.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020270224	0	40	-1.0	-53.73	315.68	5.34	-48.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020270224	1	40	-1.0	-53.71	315.74	5.37	-48.34
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020270225	0	47	-1.0	-51.97	370.29	7.98	-43.99
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020270225	1	47	-1.0	-51.96	370.31	7.96	-44.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020270226	0	49	-1.0	-46.79	377.74	6.50	-40.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020270226	1	49	-1.0	-46.72	377.80	6.51	-40.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020270227	0	46	-1.0	-49.02	359.48	4.88	-44.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020270227	1	46	-1.0	-48.95	359.52	4.90	-44.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020270228	0	43	-1.0	-43.16	355.87	6.66	-36.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020270228	1	43	-1.0	-43.16	355.93	6.67	-36.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020270229	0	40	-1.0	-48.75	326.71	5.85	-42.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020270229	1	40	-1.0	-48.80	326.77	5.87	-42.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020270230	0	47	-1.0	-47.24	370.87	8.40	-38.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020270230	1	47	-1.0	-47.15	370.91	8.39	-38.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300020270231	0	56	-1.0	-51.58	431.61	6.49	-45.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300020270231	1	56	-1.0	-51.59	431.68	6.51	-45.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020270232	0	50	-1.0	-41.89	397.58	6.33	-35.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020270232	1	50	-1.0	-41.90	397.63	6.34	-35.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020270233	0	47	-1.0	-44.21	376.08	5.54	-38.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020270233	1	47	-1.0	-44.27	376.13	5.57	-38.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1OC	REAL300020270234	0	50	-1.0	-46.46	393.16	7.75	-38.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1OC	REAL300020270234	1	50	-1.0	-46.50	393.22	7.77	-38.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020270235	0	50	-1.0	-44.20	389.59	6.93	-37.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020270235	1	50	-1.0	-44.18	389.65	6.94	-37.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020270236	0	47	-1.0	-47.35	368.88	6.30	-41.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020270236	1	47	-1.0	-47.36	368.83	6.27	-41.09
CCC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CCC2=C1	REAL300020270237	0	49	-1.0	-42.46	389.12	8.92	-33.54
CCC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CCC2=C1	REAL300020270237	1	49	-1.0	-42.44	389.18	8.93	-33.51
CCC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CCC2=C1	REAL300020270238	0	46	-1.0	-45.29	363.73	8.21	-37.08
CCC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CCC2=C1	REAL300020270238	1	46	-1.0	-45.31	363.67	8.19	-37.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020270239	0	45	-1.0	-41.57	338.03	6.90	-34.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020270239	1	45	-1.0	-41.56	338.09	6.92	-34.64
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1C	REAL300020270240	0	49	-1.0	-43.21	374.10	9.20	-34.01
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1C	REAL300020270240	1	49	-1.0	-43.15	374.14	9.19	-33.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=C(OC)C(OC)=C1	REAL300020270241	0	54	-1.0	-48.80	416.66	6.46	-42.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=C(OC)C(OC)=C1	REAL300020270241	1	54	-1.0	-48.80	416.72	6.47	-42.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020270242	0	40	-1.0	-45.00	316.60	1.66	-43.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020270242	1	40	-1.0	-45.02	316.66	1.67	-43.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020270243	0	37	-1.0	-45.03	295.01	0.85	-44.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020270243	1	37	-1.0	-45.04	295.07	0.88	-44.16
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020270244	0	44	-1.0	-47.23	365.75	5.42	-41.81
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020270244	1	44	-1.0	-47.25	365.77	5.41	-41.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020270245	0	37	-1.0	-38.32	328.70	6.65	-31.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020270245	1	37	-1.0	-38.32	328.76	6.67	-31.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020270246	0	34	-1.0	-40.01	298.06	6.02	-33.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020270246	1	34	-1.0	-39.98	298.12	6.04	-33.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020270247	0	53	-1.0	-41.19	416.63	11.04	-30.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020270247	1	53	-1.0	-41.26	416.69	11.06	-30.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020270248	0	50	-1.0	-45.76	391.25	10.35	-35.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020270248	1	50	-1.0	-45.78	391.31	10.37	-35.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020270249	0	56	0.0	-68.77	406.58	9.32	-59.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020270249	1	56	0.0	-68.77	406.63	9.33	-59.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020270250	0	53	0.0	-65.84	382.86	8.38	-57.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020270250	1	53	0.0	-65.83	382.91	8.40	-57.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020270251	0	49	-1.0	-45.33	382.34	7.56	-37.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020270251	1	49	-1.0	-45.35	382.40	7.57	-37.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020270252	0	46	-1.0	-49.80	357.51	6.85	-42.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020270252	1	46	-1.0	-49.79	357.57	6.88	-42.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020270253	0	48	-1.0	-42.84	389.14	7.48	-35.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020270253	1	48	-1.0	-42.86	389.20	7.50	-35.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020270254	0	45	-1.0	-47.86	365.09	6.84	-41.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020270254	1	45	-1.0	-47.80	365.14	6.87	-40.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020270255	0	47	-1.0	-44.00	393.76	6.60	-37.40
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020270255	1	47	-1.0	-44.02	393.82	6.61	-37.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020270256	0	44	-1.0	-45.54	376.75	5.74	-39.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020270256	1	44	-1.0	-45.49	376.80	5.76	-39.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCOC)C1	REAL300020270257	0	47	-1.0	-41.65	382.63	4.37	-37.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCOC)C1	REAL300020270257	1	47	-1.0	-41.70	382.69	4.39	-37.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCOC)C1	REAL300020270258	0	44	-1.0	-43.98	360.43	3.80	-40.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCOC)C1	REAL300020270258	1	44	-1.0	-43.97	360.49	3.82	-40.15
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCOC)C1	REAL300020270259	0	51	-1.0	-44.36	404.15	6.47	-37.89
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCOC)C1	REAL300020270259	1	51	-1.0	-44.40	404.13	6.46	-37.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020270260	0	49	-1.0	-42.42	400.45	8.81	-33.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020270260	1	49	-1.0	-42.42	400.51	8.83	-33.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020270261	0	46	-1.0	-45.00	372.12	8.13	-36.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020270261	1	46	-1.0	-45.03	372.17	8.15	-36.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020270262	0	52	-1.0	-41.92	419.54	8.11	-33.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020270262	1	52	-1.0	-41.91	419.59	8.12	-33.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020270263	0	49	-1.0	-43.94	398.04	7.32	-36.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020270263	1	49	-1.0	-43.90	398.09	7.35	-36.55
CCN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270264	0	48	-1.0	-40.60	399.39	8.70	-31.90
CCN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270264	1	48	-1.0	-40.60	399.45	8.72	-31.88
CCN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270265	0	45	-1.0	-42.72	382.38	9.02	-33.70
CCN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270265	1	45	-1.0	-42.75	382.43	9.05	-33.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020270266	0	44	-1.0	-43.26	357.23	4.63	-38.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020270266	1	44	-1.0	-43.23	357.29	4.65	-38.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020270267	0	41	-1.0	-45.52	331.85	3.93	-41.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020270267	1	41	-1.0	-45.56	331.79	3.91	-41.65
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020270268	0	48	-1.0	-44.99	382.87	6.79	-38.20
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020270268	1	48	-1.0	-44.98	382.91	6.79	-38.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020270269	0	47	-1.0	-40.57	392.89	9.19	-31.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020270269	1	47	-1.0	-40.56	392.94	9.21	-31.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020270270	0	44	-1.0	-42.53	371.17	8.37	-34.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020270270	1	44	-1.0	-42.50	371.22	8.40	-34.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020270271	0	50	-1.0	-43.72	398.83	10.64	-33.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020270271	1	50	-1.0	-43.69	398.88	10.65	-33.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020270272	0	47	-1.0	-49.04	385.69	10.00	-39.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020270272	1	47	-1.0	-49.03	385.64	9.97	-39.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020270273	0	51	-1.0	-40.27	380.08	9.71	-30.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020270273	1	51	-1.0	-40.29	380.14	9.73	-30.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020270274	0	48	-1.0	-41.71	371.60	8.13	-33.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020270274	1	48	-1.0	-41.70	371.66	8.16	-33.54
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020270275	0	55	-1.0	-42.31	417.81	11.34	-30.97
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020270275	1	55	-1.0	-42.33	417.84	11.34	-30.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020270276	0	49	-1.0	-43.34	386.07	6.06	-37.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020270276	1	49	-1.0	-43.44	386.13	6.07	-37.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020270277	0	46	-1.0	-45.17	364.55	5.26	-39.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020270277	1	46	-1.0	-45.18	364.61	5.28	-39.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020270278	0	45	-1.0	-42.76	368.50	6.39	-36.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020270278	1	45	-1.0	-42.80	368.55	6.40	-36.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020270279	0	42	-1.0	-44.02	352.10	5.73	-38.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020270279	1	42	-1.0	-44.00	352.05	5.71	-38.29
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270280	0	46	-1.0	-41.43	376.38	8.96	-32.47
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270280	1	46	-1.0	-41.39	376.42	8.95	-32.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020270281	0	47	-1.0	-40.48	367.33	6.21	-34.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020270281	1	47	-1.0	-40.51	367.39	6.22	-34.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020270282	0	44	-1.0	-43.58	349.53	5.54	-38.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020270282	1	44	-1.0	-43.60	349.59	5.56	-38.04
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020270283	0	51	-1.0	-42.14	394.47	8.33	-33.81
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020270283	1	51	-1.0	-42.10	394.50	8.32	-33.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(C2=CC=CC=C2)C1	REAL300020270284	0	52	-1.0	-46.02	421.84	9.65	-36.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(C2=CC=CC=C2)C1	REAL300020270284	1	52	-1.0	-45.97	421.90	9.67	-36.30
C=CCN(CC(=C)Br)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270285	0	40	-1.0	-39.49	352.21	7.34	-32.15
C=CCN(CC(=C)Br)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270285	1	40	-1.0	-39.55	352.27	7.35	-32.20
C=CCN(CC(=C)Br)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270286	0	37	-1.0	-41.06	329.39	6.24	-34.82
C=CCN(CC(=C)Br)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270286	1	37	-1.0	-41.05	329.44	6.27	-34.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020270287	0	45	-1.0	-42.46	366.99	8.75	-33.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020270287	1	45	-1.0	-42.44	367.05	8.76	-33.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020270288	0	42	-1.0	-45.61	350.34	7.55	-38.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020270288	1	42	-1.0	-45.55	350.29	7.52	-38.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020270289	0	38	-1.0	-49.73	311.78	4.86	-44.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020270289	1	38	-1.0	-49.75	311.83	4.87	-44.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020270290	0	35	-1.0	-50.24	295.21	4.23	-46.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020270290	1	35	-1.0	-50.24	295.26	4.25	-45.99
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020270291	0	42	-1.0	-52.11	344.19	6.96	-45.15
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020270291	1	42	-1.0	-52.12	344.22	6.95	-45.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020270292	0	44	-1.0	-40.62	348.76	5.20	-35.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020270292	1	44	-1.0	-40.65	348.82	5.22	-35.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020270293	0	41	-1.0	-43.46	327.50	4.47	-38.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020270293	1	41	-1.0	-43.50	327.56	4.50	-39.00
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020270294	0	48	-1.0	-42.75	378.87	7.34	-35.41
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020270294	1	48	-1.0	-42.73	378.88	7.33	-35.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020270295	0	45	-1.0	-45.60	361.40	6.22	-39.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020270295	1	45	-1.0	-45.70	361.45	6.23	-39.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020270296	0	42	-1.0	-47.99	326.90	5.64	-42.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020270296	1	42	-1.0	-47.99	326.85	5.63	-42.36
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020270297	0	49	-1.0	-47.36	407.62	7.52	-39.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020270297	1	49	-1.0	-47.32	407.65	7.51	-39.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(C(=O)OC)=C2C1	REAL300020270298	0	50	-1.0	-42.33	389.39	6.50	-35.83
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(C(=O)OC)=C2C1	REAL300020270298	1	50	-1.0	-42.38	389.44	6.51	-35.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(C(=O)OC)=C2C1	REAL300020270299	0	47	-1.0	-46.95	364.43	5.77	-41.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(C(=O)OC)=C2C1	REAL300020270299	1	47	-1.0	-46.94	364.49	5.79	-41.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC(C(=O)OC)=N2)CC1	REAL300020270300	0	49	-1.0	-47.08	409.23	6.93	-40.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC(C(=O)OC)=N2)CC1	REAL300020270300	1	49	-1.0	-47.08	409.17	6.90	-40.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020270301	0	40	-1.0	-40.52	325.35	4.47	-36.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020270301	1	40	-1.0	-40.51	325.40	4.49	-36.02
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020270302	0	44	-1.0	-42.63	354.93	6.41	-36.22
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020270302	1	44	-1.0	-42.53	354.96	6.41	-36.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020270303	0	47	-1.0	-44.71	371.08	4.77	-39.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020270303	1	47	-1.0	-44.72	371.14	4.79	-39.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020270304	0	44	-1.0	-45.36	350.37	4.15	-41.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020270304	1	44	-1.0	-45.39	350.32	4.12	-41.27
CCN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270305	0	44	-1.0	-54.83	375.79	4.47	-50.36
CCN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270305	1	44	-1.0	-54.81	375.85	4.50	-50.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(OC)=CC(OC)=C2)CC1	REAL300020270306	0	54	-1.0	-44.96	430.57	7.42	-37.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(OC)=CC(OC)=C2)CC1	REAL300020270306	1	54	-1.0	-44.96	430.63	7.45	-37.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020270307	0	52	-1.0	-51.21	406.50	4.69	-46.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020270307	1	52	-1.0	-51.22	406.56	4.70	-46.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020270308	0	49	-1.0	-52.87	381.46	3.99	-48.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020270308	1	49	-1.0	-52.88	381.52	4.02	-48.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=C(C#N)C=C2)C1	REAL300020270309	0	53	-1.0	-43.23	434.63	10.95	-32.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=C(C#N)C=C2)C1	REAL300020270309	1	53	-1.0	-43.25	434.69	10.96	-32.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=C(C#N)C=C2)C1	REAL300020270310	0	50	-1.0	-44.80	414.01	9.96	-34.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=C(C#N)C=C2)C1	REAL300020270310	1	50	-1.0	-44.81	414.07	9.98	-34.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	REAL300020270311	0	54	-1.0	-47.84	422.41	5.38	-42.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	REAL300020270311	1	54	-1.0	-47.80	422.46	5.39	-42.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	REAL300020270312	0	51	-1.0	-49.79	402.89	4.75	-45.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	REAL300020270312	1	51	-1.0	-49.79	402.96	4.77	-45.02
C=CCC1(C(=O)OCC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020270313	0	55	-1.0	-41.86	434.12	10.06	-31.80
C=CCC1(C(=O)OCC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020270313	1	55	-1.0	-41.87	434.18	10.07	-31.80
C=CCC1(C(=O)OCC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020270314	0	52	-1.0	-48.15	411.36	9.27	-38.88
C=CCC1(C(=O)OCC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020270314	1	52	-1.0	-48.12	411.41	9.29	-38.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020270315	0	54	-1.0	-40.66	407.93	9.33	-31.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020270315	1	54	-1.0	-40.72	407.99	9.35	-31.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020270316	0	51	-1.0	-44.08	381.00	8.65	-35.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020270316	1	51	-1.0	-44.06	381.06	8.67	-35.39
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020270317	0	58	-1.0	-42.45	436.34	11.30	-31.15
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020270317	1	58	-1.0	-42.45	436.38	11.29	-31.16
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270318	0	49	-1.0	-40.44	371.38	8.01	-32.43
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270318	1	49	-1.0	-40.47	371.44	8.02	-32.45
CCC1CC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270319	0	46	-1.0	-43.06	349.91	7.22	-35.84
CCC1CC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270319	1	46	-1.0	-43.03	349.96	7.24	-35.79
CCC1CC2(CCC2)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270320	0	53	-1.0	-42.13	399.71	9.99	-32.14
CCC1CC2(CCC2)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270320	1	53	-1.0	-42.13	399.75	9.99	-32.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC(C(=O)OC)=C2	REAL300020270321	0	46	-1.0	-46.11	390.60	7.22	-38.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC(C(=O)OC)=C2	REAL300020270321	1	46	-1.0	-46.13	390.65	7.24	-38.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC(C(=O)OC)=C2	REAL300020270322	0	43	-1.0	-46.40	371.76	7.18	-39.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC(C(=O)OC)=C2	REAL300020270322	1	43	-1.0	-46.42	371.82	7.21	-39.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC3=CC=CC=C3C2=O)C1	REAL300020270323	0	48	-1.0	-45.90	395.51	7.92	-37.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC3=CC=CC=C3C2=O)C1	REAL300020270323	1	48	-1.0	-45.96	395.45	7.90	-38.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020270324	0	44	-1.0	-46.71	367.38	5.25	-41.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020270324	1	44	-1.0	-46.73	367.44	5.26	-41.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020270325	0	41	-1.0	-47.53	341.96	4.59	-42.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020270325	1	41	-1.0	-47.52	342.01	4.60	-42.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020270326	0	42	-1.0	-44.16	347.26	6.99	-37.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020270326	1	42	-1.0	-44.14	347.31	7.01	-37.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020270327	0	39	-1.0	-43.29	326.16	6.16	-37.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020270327	1	39	-1.0	-43.33	326.22	6.18	-37.15
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(F)F)C1	REAL300020270328	0	46	-1.0	-42.51	375.61	8.97	-33.54
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(F)F)C1	REAL300020270328	1	46	-1.0	-42.55	375.66	8.95	-33.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020270329	0	49	-1.0	-46.51	408.12	8.37	-38.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020270329	1	49	-1.0	-46.52	408.06	8.35	-38.17
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020270330	0	46	-1.0	-47.79	386.93	7.59	-40.20
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020270330	1	46	-1.0	-47.80	386.87	7.56	-40.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020270331	0	43	-1.0	-48.85	363.87	5.82	-43.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020270331	1	43	-1.0	-48.86	363.93	5.83	-43.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020270332	0	40	-1.0	-52.03	341.59	5.21	-46.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020270332	1	40	-1.0	-52.06	341.64	5.23	-46.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020270333	0	52	-1.0	-42.34	406.49	9.40	-32.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020270333	1	52	-1.0	-42.33	406.55	9.41	-32.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020270334	0	49	-1.0	-45.19	381.09	8.69	-36.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020270334	1	49	-1.0	-45.21	381.03	8.67	-36.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020270335	0	55	-1.0	-42.39	422.43	9.81	-32.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020270335	1	55	-1.0	-42.40	422.48	9.82	-32.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020270336	0	52	-1.0	-45.06	398.22	8.85	-36.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020270336	1	52	-1.0	-45.07	398.27	8.87	-36.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020270337	0	50	-1.0	-39.43	407.09	9.72	-29.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020270337	1	50	-1.0	-39.46	407.14	9.74	-29.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020270338	0	47	-1.0	-40.49	385.56	8.94	-31.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020270338	1	47	-1.0	-40.53	385.62	8.96	-31.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020270339	0	46	-1.0	-50.56	369.95	3.69	-46.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020270339	1	46	-1.0	-50.61	370.00	3.71	-46.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020270340	0	43	-1.0	-52.27	344.28	2.90	-49.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020270340	1	43	-1.0	-52.25	344.33	2.93	-49.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020270341	0	47	-1.0	-42.21	389.49	7.65	-34.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020270341	1	47	-1.0	-42.23	389.55	7.67	-34.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020270342	0	44	-1.0	-44.56	367.93	6.87	-37.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020270342	1	44	-1.0	-44.56	367.98	6.89	-37.67
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020270343	0	51	-1.0	-44.26	413.75	9.80	-34.46
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020270343	1	51	-1.0	-44.17	413.79	9.78	-34.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020270344	0	50	-1.0	-43.26	411.59	8.44	-34.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020270344	1	50	-1.0	-43.25	411.65	8.46	-34.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020270345	0	47	-1.0	-45.91	385.84	7.72	-38.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020270345	1	47	-1.0	-45.91	385.90	7.73	-38.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020270346	0	42	-1.0	-41.58	346.35	6.70	-34.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020270346	1	42	-1.0	-41.56	346.41	6.72	-34.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020270347	0	39	-1.0	-43.50	328.06	6.13	-37.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020270347	1	39	-1.0	-43.52	328.11	6.15	-37.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020270348	0	46	-1.0	-43.73	377.98	8.88	-34.85
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020270348	1	46	-1.0	-43.69	378.00	8.87	-34.82
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020270349	0	55	-1.0	-40.91	428.55	9.24	-31.67
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270349	1	55	-1.0	-40.97	428.61	9.26	-31.71
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270350	0	52	-1.0	-41.90	410.75	8.58	-33.32
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270350	1	52	-1.0	-41.93	410.81	8.60	-33.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020270351	0	43	-1.0	-49.51	351.94	2.78	-46.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020270351	1	43	-1.0	-49.56	352.00	2.80	-46.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020270352	0	40	-1.0	-54.03	315.82	1.56	-52.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020270352	1	40	-1.0	-54.00	315.78	1.54	-52.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020270353	0	47	-1.0	-52.15	375.44	4.96	-47.19
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020270353	1	47	-1.0	-52.17	375.48	4.95	-47.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020270354	0	47	-1.0	-48.67	374.81	5.58	-43.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020270354	1	47	-1.0	-48.71	374.87	5.59	-43.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020270355	0	44	-1.0	-50.76	352.84	4.99	-45.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020270355	1	44	-1.0	-50.75	352.90	5.01	-45.74
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020270356	0	51	-1.0	-50.79	402.94	7.58	-43.21
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020270356	1	51	-1.0	-50.76	402.99	7.57	-43.19
CCC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CC2=C1	REAL300020270357	0	49	-1.0	-42.53	386.07	8.72	-33.81
CCC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2=C1	REAL300020270357	1	49	-1.0	-42.52	386.13	8.74	-33.78
CCC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2=C1	REAL300020270358	0	46	-1.0	-43.20	369.23	9.06	-34.14
CCC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2=C1	REAL300020270358	1	46	-1.0	-43.20	369.18	9.03	-34.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020270359	0	50	-1.0	-43.76	394.21	8.32	-35.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020270359	1	50	-1.0	-43.76	394.27	8.33	-35.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020270360	0	47	-1.0	-51.09	369.33	7.47	-43.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020270360	1	47	-1.0	-51.07	369.39	7.50	-43.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020270361	0	42	-1.0	-45.61	333.21	2.56	-43.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020270361	1	42	-1.0	-45.59	333.27	2.57	-43.02
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC(N)=O	REAL300020270362	0	46	-1.0	-50.44	364.19	4.82	-45.62
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC(N)=O	REAL300020270362	1	46	-1.0	-50.36	364.23	4.81	-45.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020270363	0	43	-1.0	-42.29	375.86	8.22	-34.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020270363	1	43	-1.0	-42.23	375.91	8.24	-33.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020270364	0	40	-1.0	-44.14	349.80	7.47	-36.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020270364	1	40	-1.0	-44.15	349.85	7.49	-36.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020270365	0	49	-1.0	-42.91	383.39	8.46	-34.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020270365	1	49	-1.0	-42.87	383.45	8.48	-34.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020270366	0	46	-1.0	-45.38	360.11	7.65	-37.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020270366	1	46	-1.0	-45.35	360.05	7.63	-37.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020270367	0	42	-1.0	-39.14	363.99	7.58	-31.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020270367	1	42	-1.0	-39.16	364.04	7.60	-31.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020270368	0	39	-1.0	-41.05	342.54	6.82	-34.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020270368	1	39	-1.0	-41.04	342.48	6.80	-34.24
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020270369	0	46	-1.0	-42.08	384.79	9.65	-32.43
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020270369	1	46	-1.0	-42.04	384.83	9.64	-32.40
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020270370	0	52	-1.0	-47.66	411.78	8.58	-39.08
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020270370	1	52	-1.0	-47.67	411.83	8.60	-39.07
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020270371	0	49	-1.0	-48.85	388.81	7.72	-41.13
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020270371	1	49	-1.0	-48.88	388.87	7.75	-41.13
CCC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC)CC2	REAL300020270372	0	49	-1.0	-40.36	390.69	9.44	-30.92
CCC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC)CC2	REAL300020270372	1	49	-1.0	-40.35	390.75	9.45	-30.90
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC)CC2	REAL300020270373	0	46	-1.0	-44.93	358.26	7.66	-37.27
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC)CC2	REAL300020270373	1	46	-1.0	-44.89	358.20	7.64	-37.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020270374	0	47	-1.0	-41.12	358.63	6.17	-34.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020270374	1	47	-1.0	-41.09	358.69	6.19	-34.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020270375	0	44	-1.0	-43.58	340.78	5.51	-38.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020270375	1	44	-1.0	-43.57	340.84	5.53	-38.04
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020270376	0	51	-1.0	-42.82	378.52	7.63	-35.19
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020270376	1	51	-1.0	-42.81	378.54	7.62	-35.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020270377	0	47	-1.0	-41.73	392.58	8.26	-33.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020270377	1	47	-1.0	-41.72	392.52	8.24	-33.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020270378	0	44	-1.0	-43.93	370.74	7.54	-36.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020270378	1	44	-1.0	-43.90	370.67	7.52	-36.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300020270379	0	52	-1.0	-44.65	421.90	8.86	-35.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300020270379	1	52	-1.0	-44.67	421.95	8.89	-35.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020270380	0	50	-1.0	-40.38	392.95	5.85	-34.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020270380	1	50	-1.0	-40.37	393.01	5.87	-34.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020270381	0	47	-1.0	-41.82	371.26	5.08	-36.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020270381	1	47	-1.0	-41.77	371.32	5.11	-36.66
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020270382	0	54	-1.0	-43.08	414.05	7.96	-35.12
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020270382	1	54	-1.0	-43.06	414.08	7.95	-35.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020270383	0	46	-1.0	-47.73	374.41	9.07	-38.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020270383	1	46	-1.0	-47.74	374.35	9.06	-38.68
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020270384	0	43	-1.0	-49.57	357.65	8.44	-41.13
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020270384	1	43	-1.0	-49.60	357.59	8.42	-41.18
CCN1C(NC2=CN(CC3CCC3)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020270385	0	50	-1.0	-49.70	407.54	11.15	-38.55
CCN1C(NC2=CN(CC3CCC3)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020270385	1	50	-1.0	-49.72	407.51	11.16	-38.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020270386	0	55	-1.0	-44.63	421.23	8.46	-36.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020270386	1	55	-1.0	-44.63	421.28	8.48	-36.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020270386	1	56	0.0	-54.62	421.12	10.63	-43.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020270386	1	56	0.0	-54.50	418.24	10.57	-43.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020270387	0	52	-1.0	-50.59	399.18	7.91	-42.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020270387	1	52	-1.0	-50.61	399.24	7.94	-42.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020270387	1	53	0.0	-50.85	400.68	9.91	-40.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020270387	1	53	0.0	-51.82	406.89	10.15	-41.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020270388	0	43	-1.0	-41.00	331.64	7.41	-33.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020270388	1	43	-1.0	-40.98	331.69	7.43	-33.55
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1C2CCCC21	REAL300020270389	0	47	-1.0	-42.69	366.51	9.52	-33.17
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1C2CCCC21	REAL300020270389	1	47	-1.0	-42.65	366.52	9.51	-33.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020270390	0	46	-1.0	-42.25	368.61	7.73	-34.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020270390	1	46	-1.0	-42.28	368.67	7.75	-34.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020270391	0	43	-1.0	-42.93	340.61	7.15	-35.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020270391	1	43	-1.0	-42.94	340.66	7.18	-35.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020270392	0	46	-1.0	-40.60	377.45	7.79	-32.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020270392	1	46	-1.0	-40.55	377.51	7.80	-32.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020270393	0	43	-1.0	-42.79	360.74	7.15	-35.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020270393	1	43	-1.0	-42.77	360.80	7.18	-35.59
CCOC(=O)C1=CC2=C(CN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)S1	REAL300020270394	0	46	-1.0	-46.35	393.62	8.11	-38.24
CCOC(=O)C1=CC2=C(CN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)S1	REAL300020270394	1	46	-1.0	-46.37	393.68	8.14	-38.23
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C2	REAL300020270395	0	41	-1.0	-42.27	328.01	7.89	-34.38
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C2	REAL300020270395	1	41	-1.0	-42.25	328.07	7.88	-34.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020270396	0	46	-1.0	-41.62	357.89	5.61	-36.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020270396	1	46	-1.0	-41.61	357.95	5.63	-35.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020270397	0	43	-1.0	-44.45	333.21	4.93	-39.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020270397	1	43	-1.0	-44.47	333.27	4.96	-39.51
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020270398	0	50	-1.0	-43.25	391.13	7.73	-35.52
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020270398	1	50	-1.0	-43.30	391.12	7.72	-35.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020270399	0	54	0.0	-62.35	419.36	7.84	-54.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020270399	1	54	0.0	-62.38	419.42	7.86	-54.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020270400	0	51	0.0	-66.87	393.46	7.30	-59.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020270400	1	51	0.0	-66.88	393.52	7.31	-59.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC(C)(C)C)CC1	REAL300020270401	0	57	-1.0	-43.76	438.14	9.66	-34.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC(C)(C)C)CC1	REAL300020270401	1	57	-1.0	-43.77	438.20	9.67	-34.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC(C)(C)C)CC1	REAL300020270402	0	54	-1.0	-45.85	417.24	8.94	-36.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC(C)(C)C)CC1	REAL300020270402	1	54	-1.0	-45.88	417.30	8.96	-36.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020270403	0	47	-1.0	-42.82	362.56	6.21	-36.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020270403	1	47	-1.0	-42.71	362.62	6.22	-36.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020270404	0	44	-1.0	-46.80	337.78	5.41	-41.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020270404	1	44	-1.0	-46.79	337.83	5.44	-41.35
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020270405	0	51	-1.0	-45.35	387.22	8.15	-37.20
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020270405	1	51	-1.0	-45.35	387.28	8.14	-37.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020270406	0	50	-1.0	-44.12	394.42	7.33	-36.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020270406	1	50	-1.0	-44.19	394.48	7.34	-36.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020270407	0	47	-1.0	-44.09	375.95	7.67	-36.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020270407	1	47	-1.0	-44.13	375.89	7.64	-36.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020270408	0	52	-1.0	-42.00	386.04	3.95	-38.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020270408	1	52	-1.0	-42.01	386.09	3.96	-38.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020270409	0	49	-1.0	-44.45	363.41	3.09	-41.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020270409	1	49	-1.0	-44.48	363.47	3.12	-41.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020270410	0	47	-1.0	-45.45	375.93	5.18	-40.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020270410	1	47	-1.0	-45.45	375.99	5.20	-40.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020270411	0	44	-1.0	-44.54	357.46	5.52	-39.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020270411	1	44	-1.0	-44.52	357.40	5.50	-39.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020270412	0	47	-1.0	-39.76	391.75	9.29	-30.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020270412	1	47	-1.0	-39.77	391.81	9.31	-30.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020270413	0	44	-1.0	-40.89	370.24	8.51	-32.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020270413	1	44	-1.0	-40.86	370.29	8.53	-32.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020270414	0	47	-1.0	-40.59	376.67	6.54	-34.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020270414	1	47	-1.0	-40.57	376.73	6.56	-34.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020270415	0	44	-1.0	-42.61	358.17	6.08	-36.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020270415	1	44	-1.0	-42.62	358.23	6.11	-36.51
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020270416	0	51	-1.0	-45.44	395.75	8.74	-36.70
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020270416	1	51	-1.0	-45.38	395.78	8.73	-36.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C(=O)OC)CCC2(C(=O)OC)C1	REAL300020270417	0	49	-1.0	-49.60	392.11	7.44	-42.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C(=O)OC)CCC2(C(=O)OC)C1	REAL300020270417	1	49	-1.0	-49.62	392.17	7.47	-42.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020270418	0	40	-1.0	-47.25	352.60	9.00	-38.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020270418	1	40	-1.0	-47.21	352.55	8.98	-38.23
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020270419	0	37	-1.0	-49.53	331.11	8.22	-41.31
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020270419	1	37	-1.0	-49.58	331.06	8.20	-41.38
CCN1C(NC2=NN(C3CC3(F)F)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020270420	0	44	-1.0	-49.33	380.93	10.95	-38.38
CCN1C(NC2=NN(C3CC3(F)F)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020270420	1	44	-1.0	-49.37	380.87	10.95	-38.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020270421	0	49	-1.0	-45.09	394.77	9.32	-35.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020270421	1	49	-1.0	-45.13	394.83	9.33	-35.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020270422	0	46	-1.0	-49.66	378.71	8.30	-41.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020270422	1	46	-1.0	-49.68	378.77	8.32	-41.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020270423	0	56	-1.0	-41.78	441.12	6.16	-35.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020270423	1	56	-1.0	-41.82	441.18	6.18	-35.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020270424	0	53	-1.0	-42.91	419.61	5.38	-37.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020270424	1	53	-1.0	-42.89	419.67	5.40	-37.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020270425	0	47	-1.0	-42.13	389.80	9.06	-33.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020270425	1	47	-1.0	-42.14	389.86	9.07	-33.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020270426	0	44	-1.0	-42.39	372.28	8.34	-34.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020270426	1	44	-1.0	-42.37	372.34	8.36	-34.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020270427	0	52	-1.0	-40.14	390.10	6.85	-33.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020270427	1	52	-1.0	-40.12	390.15	6.87	-33.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020270428	0	49	-1.0	-42.57	364.59	6.13	-36.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020270428	1	49	-1.0	-42.57	364.65	6.15	-36.42
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020270429	0	56	-1.0	-42.06	418.31	8.85	-33.21
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020270429	1	56	-1.0	-42.01	418.36	8.83	-33.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020270430	0	45	-1.0	-45.78	368.26	5.29	-40.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020270430	1	45	-1.0	-45.79	368.32	5.30	-40.49
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020270431	0	42	-1.0	-46.39	342.32	4.73	-41.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020270431	1	42	-1.0	-46.37	342.38	4.74	-41.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020270432	0	49	-1.0	-48.84	395.49	7.28	-41.56
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020270432	1	49	-1.0	-48.85	395.53	7.27	-41.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020270433	0	45	-1.0	-54.60	358.97	2.95	-51.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020270433	1	45	-1.0	-54.63	359.02	2.96	-51.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020270434	0	42	-1.0	-46.08	355.40	2.05	-44.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020270434	1	42	-1.0	-46.13	355.46	2.07	-44.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1NCC1=C(C)C=CO1	REAL300020270435	0	39	-1.0	-42.17	334.87	7.22	-34.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1NCC1=C(C)C=CO1	REAL300020270435	1	39	-1.0	-42.15	334.93	7.24	-34.91
CCN1C(NCC2=C(C)C=CO2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020270436	0	43	-1.0	-44.26	363.23	9.18	-35.08
CCN1C(NCC2=C(C)C=CO2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020270436	1	43	-1.0	-44.17	363.26	9.17	-35.00
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC)C2	REAL300020270437	0	49	-1.0	-42.38	382.96	8.68	-33.70
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC)C2	REAL300020270437	1	49	-1.0	-42.38	383.02	8.69	-33.69
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC)C2	REAL300020270438	0	46	-1.0	-43.33	363.06	8.82	-34.51
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC)C2	REAL300020270438	1	46	-1.0	-43.31	363.01	8.79	-34.52
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270439	0	55	-1.0	-42.61	428.60	8.36	-34.25
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270439	1	55	-1.0	-42.63	428.66	8.37	-34.26
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270440	0	52	-1.0	-45.07	417.08	7.80	-37.27
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270440	1	52	-1.0	-45.05	417.13	7.83	-37.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020270441	0	41	-1.0	-41.55	316.02	4.64	-36.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020270441	1	41	-1.0	-41.56	316.07	4.66	-36.90
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020270442	0	45	-1.0	-43.64	348.33	6.77	-36.87
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020270442	1	45	-1.0	-43.66	348.36	6.76	-36.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC3=CC=CC=C3C2=O)CC1	REAL300020270443	0	52	-1.0	-50.53	412.60	9.91	-40.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC3=CC=CC=C3C2=O)CC1	REAL300020270443	1	52	-1.0	-50.50	412.65	9.92	-40.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC3=CC=CC=C3C2=O)CC1	REAL300020270444	0	49	-1.0	-53.60	391.71	8.91	-44.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC3=CC=CC=C3C2=O)CC1	REAL300020270444	1	49	-1.0	-53.58	391.76	8.93	-44.65
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020270445	0	43	-1.0	-42.59	344.22	8.17	-34.42
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020270445	1	43	-1.0	-42.58	344.26	8.16	-34.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020270446	0	41	-1.0	-50.48	344.84	2.19	-48.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020270446	1	41	-1.0	-50.48	344.89	2.21	-48.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020270447	0	38	-1.0	-52.69	320.34	1.21	-51.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020270447	1	38	-1.0	-52.74	320.40	1.23	-51.51
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020270448	0	45	-1.0	-51.90	369.49	3.98	-47.92
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020270448	1	45	-1.0	-51.88	369.52	3.97	-47.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020270449	0	48	-1.0	-42.59	359.81	5.73	-36.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020270449	1	48	-1.0	-42.58	359.87	5.75	-36.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020270450	0	45	-1.0	-42.31	334.16	5.04	-37.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020270450	1	45	-1.0	-42.37	334.21	5.07	-37.30
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020270451	0	52	-1.0	-42.71	388.71	7.69	-35.02
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020270451	1	52	-1.0	-42.72	388.72	7.66	-35.06
CCCCCN(CC1=C(C)N(C)N=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270452	0	57	-1.0	-44.88	449.34	8.47	-36.41
CCCCCN(CC1=C(C)N(C)N=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270452	1	57	-1.0	-44.90	449.40	8.49	-36.41
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270453	0	41	-1.0	-40.28	332.05	6.15	-34.13
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270453	1	41	-1.0	-40.29	332.10	6.17	-34.12
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270454	0	45	-1.0	-41.80	364.21	8.25	-33.55
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270454	1	45	-1.0	-41.78	364.24	8.24	-33.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300020270455	0	45	-1.0	-39.18	397.09	8.84	-30.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300020270455	1	45	-1.0	-39.18	397.14	8.85	-30.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300020270456	0	42	-1.0	-40.91	375.49	8.07	-32.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300020270456	1	42	-1.0	-40.92	375.54	8.10	-32.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C2=CSC=C2)C=C1	REAL300020270457	0	49	-1.0	-40.31	416.97	10.24	-30.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C2=CSC=C2)C=C1	REAL300020270457	1	49	-1.0	-40.35	417.03	10.25	-30.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C2=CSC=C2)C=C1	REAL300020270458	0	46	-1.0	-42.47	395.26	9.46	-33.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C2=CSC=C2)C=C1	REAL300020270458	1	46	-1.0	-42.45	395.32	9.48	-32.97
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270459	0	45	-1.0	-43.78	358.52	7.52	-36.26
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270459	1	45	-1.0	-43.77	358.57	7.53	-36.24
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270460	0	42	-1.0	-48.36	346.02	7.03	-41.33
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270460	1	42	-1.0	-48.38	345.97	7.01	-41.37
CCN(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270461	0	49	-1.0	-45.68	391.92	9.55	-36.13
CCN(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270461	1	49	-1.0	-45.66	391.96	9.54	-36.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(Cl)=CC(Cl)=C1	REAL300020270462	0	43	-1.0	-44.69	376.89	9.98	-34.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(Cl)=CC(Cl)=C1	REAL300020270462	1	43	-1.0	-44.70	376.94	10.00	-34.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020270463	0	40	-1.0	-44.76	349.83	7.90	-36.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020270463	1	40	-1.0	-44.70	349.77	7.89	-36.81
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020270464	0	37	-1.0	-46.89	322.86	7.23	-39.66
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020270464	1	37	-1.0	-46.91	322.81	7.20	-39.71
CCN1C(NC2=CN(C3CC3(F)F)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020270465	0	44	-1.0	-46.90	378.14	9.84	-37.06
CCN1C(NC2=CN(C3CC3(F)F)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020270465	1	44	-1.0	-46.91	378.11	9.85	-37.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020270466	0	52	-1.0	-43.87	418.40	10.32	-33.55
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020270466	1	52	-1.0	-43.87	418.45	10.34	-33.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020270467	0	49	-1.0	-46.49	396.02	9.73	-36.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020270467	1	49	-1.0	-46.50	396.08	9.75	-36.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020270468	0	43	-2.0	-95.71	368.32	3.61	-92.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020270468	1	43	-2.0	-95.69	368.38	3.62	-92.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020270468	1	44	-1.0	-53.58	368.56	4.53	-49.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020270468	1	44	-1.0	-53.58	368.62	4.54	-49.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020270469	0	40	-2.0	-84.04	348.30	3.74	-80.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020270469	1	40	-2.0	-84.05	348.36	3.76	-80.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020270469	1	41	-1.0	-54.58	347.24	3.74	-50.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020270469	1	41	-1.0	-54.57	347.30	3.76	-50.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020270470	0	44	-1.0	-49.01	373.26	3.09	-45.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020270470	1	44	-1.0	-48.98	373.32	3.10	-45.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020270471	0	41	-1.0	-51.45	355.96	2.40	-49.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020270471	1	41	-1.0	-51.49	356.02	2.42	-49.07
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020270472	0	48	-1.0	-50.83	405.71	5.17	-45.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020270472	1	48	-1.0	-50.82	405.75	5.16	-45.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020270473	0	38	-1.0	-41.23	322.29	5.80	-35.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020270473	1	38	-1.0	-41.23	322.34	5.81	-35.42
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(F)F	REAL300020270474	0	42	-1.0	-43.28	354.73	7.89	-35.39
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(F)F	REAL300020270474	1	42	-1.0	-43.31	354.77	7.88	-35.43
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(C(=O)OC)C=C2C1	REAL300020270475	0	46	-1.0	-50.10	378.48	7.22	-42.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(C(=O)OC)C=C2C1	REAL300020270475	1	46	-1.0	-50.18	378.54	7.23	-42.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020270476	0	42	-1.0	-41.51	341.03	6.79	-34.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020270476	1	42	-1.0	-41.52	341.09	6.80	-34.72
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC(F)C1	REAL300020270477	0	46	-1.0	-42.03	375.12	8.96	-33.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC(F)C1	REAL300020270477	1	46	-1.0	-41.99	375.16	8.94	-33.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020270478	0	49	-1.0	-58.87	406.04	6.39	-52.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020270478	1	49	-1.0	-58.80	405.99	6.37	-52.43
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020270479	0	46	-1.0	-60.22	389.29	5.76	-54.46
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020270479	1	46	-1.0	-60.23	389.23	5.73	-54.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020270480	0	43	-1.0	-50.67	345.04	3.15	-47.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020270480	1	43	-1.0	-50.71	345.10	3.17	-47.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020270481	0	40	-1.0	-52.19	337.10	2.62	-49.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020270481	1	40	-1.0	-52.18	337.16	2.64	-49.54
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270482	0	41	-1.0	-41.16	349.69	5.16	-36.00
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270482	1	41	-1.0	-41.13	349.75	5.17	-35.96
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270483	0	45	-1.0	-44.81	373.51	6.74	-38.07
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270483	1	45	-1.0	-44.73	373.54	6.72	-38.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020270484	0	49	-1.0	-42.29	399.82	6.79	-35.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020270484	1	49	-1.0	-42.28	399.88	6.80	-35.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020270485	0	46	-1.0	-43.31	380.49	5.57	-37.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020270485	1	46	-1.0	-43.31	380.55	5.60	-37.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC1	REAL300020270486	0	46	-1.0	-40.76	378.15	6.09	-34.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC1	REAL300020270486	1	46	-1.0	-40.78	378.21	6.11	-34.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC1	REAL300020270487	0	43	-1.0	-44.87	340.98	4.80	-40.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC1	REAL300020270487	1	43	-1.0	-44.92	341.05	4.82	-40.10
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)CC1CC1	REAL300020270488	0	50	-1.0	-43.60	394.19	7.46	-36.14
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)CC1CC1	REAL300020270488	1	50	-1.0	-43.63	394.21	7.45	-36.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020270489	0	46	-1.0	-42.03	390.82	7.34	-34.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020270489	1	46	-1.0	-42.05	390.88	7.35	-34.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020270490	0	43	-1.0	-43.69	369.00	6.62	-37.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020270490	1	43	-1.0	-43.72	369.05	6.64	-37.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020270491	0	46	-1.0	-40.50	392.10	9.26	-31.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020270491	1	46	-1.0	-40.49	392.16	9.27	-31.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020270492	0	43	-1.0	-44.08	373.65	8.75	-35.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020270492	1	43	-1.0	-44.08	373.59	8.73	-35.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020270493	0	49	-1.0	-39.83	406.75	9.81	-30.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020270493	1	49	-1.0	-39.82	406.80	9.82	-30.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020270494	0	46	-1.0	-42.80	372.98	8.67	-34.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020270494	1	46	-1.0	-42.78	372.92	8.65	-34.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020270495	0	46	-1.0	-40.57	373.32	6.15	-34.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020270495	1	46	-1.0	-40.61	373.38	6.17	-34.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020270496	0	43	-1.0	-42.28	351.79	5.39	-36.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020270496	1	43	-1.0	-42.22	351.73	5.36	-36.86
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020270497	0	50	-1.0	-42.65	404.52	8.24	-34.41
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020270497	1	50	-1.0	-42.72	404.56	8.23	-34.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(C(=O)OC)C1	REAL300020270498	0	51	-1.0	-45.81	425.39	7.39	-38.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(C(=O)OC)C1	REAL300020270498	1	51	-1.0	-45.83	425.45	7.41	-38.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(C(=O)OC)C1	REAL300020270499	0	48	-1.0	-47.49	398.80	6.79	-40.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(C(=O)OC)C1	REAL300020270499	1	48	-1.0	-47.52	398.86	6.81	-40.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020270500	0	39	-1.0	-45.27	322.03	5.27	-40.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020270500	1	39	-1.0	-45.27	322.09	5.29	-39.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020270501	0	36	-1.0	-42.83	301.62	5.32	-37.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020270501	1	36	-1.0	-42.80	301.57	5.30	-37.50
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020270502	0	43	-1.0	-46.23	344.56	7.72	-38.51
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020270502	1	43	-1.0	-46.25	344.60	7.71	-38.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020270503	0	52	-1.0	-39.84	380.74	9.06	-30.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020270503	1	52	-1.0	-39.86	380.81	9.08	-30.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020270504	0	49	-1.0	-42.44	362.56	8.38	-34.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020270504	1	49	-1.0	-42.50	362.61	8.41	-34.09
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020270505	0	56	-1.0	-41.38	408.52	11.01	-30.37
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020270505	1	56	-1.0	-41.40	408.54	10.99	-30.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020270506	0	49	-1.0	-40.23	387.70	8.29	-31.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020270506	1	49	-1.0	-40.25	387.75	8.31	-31.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020270507	0	46	-1.0	-43.36	362.13	7.58	-35.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020270507	1	46	-1.0	-43.30	362.08	7.57	-35.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020270508	0	47	-1.0	-47.02	394.07	7.83	-39.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020270508	1	47	-1.0	-47.04	394.13	7.84	-39.20
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020270509	0	44	-1.0	-47.83	368.95	6.95	-40.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020270509	1	44	-1.0	-47.87	368.90	6.93	-40.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020270510	0	46	-1.0	-42.24	374.63	8.11	-34.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020270510	1	46	-1.0	-42.23	374.68	8.13	-34.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020270511	0	43	-1.0	-45.35	353.52	7.38	-37.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020270511	1	43	-1.0	-45.31	353.46	7.36	-37.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020270512	0	50	-1.0	-41.31	395.07	8.72	-32.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020270512	1	50	-1.0	-41.26	395.12	8.73	-32.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020270513	0	47	-1.0	-47.27	369.79	7.68	-39.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020270513	1	47	-1.0	-47.22	369.73	7.66	-39.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2=C(C1)NC1=CC=CC=C12	REAL300020270514	0	48	-1.0	-44.68	381.39	7.96	-36.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2=C(C1)NC1=CC=CC=C12	REAL300020270514	1	48	-1.0	-44.73	381.45	7.98	-36.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2=C(C1)NC1=CC=CC=C12	REAL300020270515	0	45	-1.0	-43.79	374.59	8.09	-35.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2=C(C1)NC1=CC=CC=C12	REAL300020270515	1	45	-1.0	-43.77	374.54	8.08	-35.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020270516	0	52	-1.0	-44.36	425.96	7.58	-36.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020270516	1	52	-1.0	-44.32	426.02	7.59	-36.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020270517	0	49	-1.0	-47.00	404.76	6.75	-40.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020270517	1	49	-1.0	-46.97	404.82	6.77	-40.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020270518	0	40	-1.0	-45.37	345.94	5.11	-40.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020270518	1	40	-1.0	-45.35	346.00	5.13	-40.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020270519	0	37	-1.0	-47.87	320.29	4.39	-43.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020270519	1	37	-1.0	-47.83	320.23	4.37	-43.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020270520	0	44	-1.0	-42.72	371.19	7.77	-34.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020270520	1	44	-1.0	-42.76	371.00	7.79	-34.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020270521	0	60	-1.0	-48.69	460.62	11.58	-37.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020270521	1	60	-1.0	-48.73	460.68	11.60	-37.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020270522	0	48	-1.0	-42.32	387.36	7.45	-34.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020270522	1	48	-1.0	-42.33	387.41	7.47	-34.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020270523	0	45	-1.0	-44.16	360.45	7.05	-37.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020270523	1	45	-1.0	-44.18	360.51	7.07	-37.11
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020270524	0	52	-1.0	-44.37	417.29	9.56	-34.81
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020270524	1	52	-1.0	-44.37	417.27	9.55	-34.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020270525	0	52	-1.0	-43.14	422.49	8.93	-34.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020270525	1	52	-1.0	-43.15	422.55	8.95	-34.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020270526	0	49	-1.0	-46.43	397.86	8.26	-38.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020270526	1	49	-1.0	-46.47	397.92	8.28	-38.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020270527	0	49	-1.0	-40.85	384.02	8.26	-32.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020270527	1	49	-1.0	-40.85	384.08	8.27	-32.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020270528	0	46	-1.0	-43.23	358.28	7.53	-35.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020270528	1	46	-1.0	-43.25	358.34	7.55	-35.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020270529	0	47	-1.0	-48.94	369.45	9.71	-39.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020270529	1	47	-1.0	-48.97	369.51	9.72	-39.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020270530	0	44	-1.0	-51.73	351.96	9.07	-42.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020270530	1	44	-1.0	-51.75	351.90	9.05	-42.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020270531	0	52	-1.0	-39.78	377.98	8.77	-31.01
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020270531	1	52	-1.0	-39.80	378.04	8.78	-31.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020270532	0	49	-1.0	-41.89	365.53	8.04	-33.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020270532	1	49	-1.0	-41.92	365.59	8.07	-33.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCCC2C1	REAL300020270533	0	56	-1.0	-41.16	415.38	10.81	-30.35
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCCC2C1	REAL300020270533	1	56	-1.0	-41.18	415.43	10.80	-30.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020270534	0	42	-1.0	-41.06	345.86	7.14	-33.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020270534	1	42	-1.0	-41.09	345.91	7.15	-33.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020270535	0	39	-1.0	-42.24	329.65	6.19	-36.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020270535	1	39	-1.0	-42.25	329.70	6.22	-36.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020270536	0	46	-1.0	-42.68	379.54	8.99	-33.69
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020270536	1	46	-1.0	-42.61	379.58	8.99	-33.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020270537	0	53	-1.0	-42.09	403.67	7.68	-34.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020270537	1	53	-1.0	-42.08	403.73	7.70	-34.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020270538	0	50	-1.0	-43.21	382.16	6.89	-36.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020270538	1	50	-1.0	-43.24	382.23	6.91	-36.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C2CCOCC2)C1	REAL300020270539	0	53	-1.0	-46.99	398.96	6.01	-40.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C2CCOCC2)C1	REAL300020270539	1	53	-1.0	-46.98	399.02	6.03	-40.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020270540	0	44	-1.0	-44.17	349.91	3.75	-40.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020270540	1	44	-1.0	-44.15	349.97	3.77	-40.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020270541	0	41	-1.0	-45.47	328.42	2.97	-42.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020270541	1	41	-1.0	-45.48	328.48	2.99	-42.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020270542	0	48	-1.0	-46.38	378.32	5.72	-40.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020270542	1	48	-1.0	-46.35	378.37	5.71	-40.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020270543	0	40	-1.0	-45.14	343.25	6.36	-38.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020270543	1	40	-1.0	-45.13	343.31	6.38	-38.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020270544	0	37	-1.0	-46.78	325.41	5.69	-41.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020270544	1	37	-1.0	-46.80	325.47	5.72	-41.08
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020270545	0	44	-1.0	-48.74	370.63	8.64	-40.10
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020270545	1	44	-1.0	-48.65	370.65	8.64	-40.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020270546	0	47	-1.0	-45.24	363.08	4.56	-40.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020270546	1	47	-1.0	-45.19	363.14	4.57	-40.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020270547	0	44	-1.0	-47.78	341.78	3.90	-43.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020270547	1	44	-1.0	-47.85	341.84	3.91	-43.94
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020270548	0	51	-1.0	-50.34	392.41	6.63	-43.71
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020270548	1	51	-1.0	-50.33	392.44	6.62	-43.71
C=CCC1(C(=O)OCC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CCO1	REAL300020270549	0	53	-1.0	-46.03	417.83	7.41	-38.62
C=CCC1(C(=O)OCC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CCO1	REAL300020270549	1	53	-1.0	-46.02	417.88	7.43	-38.59
C=CCC1(C(=O)OCC)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CCO1	REAL300020270550	0	50	-1.0	-48.47	406.60	7.19	-41.28
C=CCC1(C(=O)OCC)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CCO1	REAL300020270550	1	50	-1.0	-48.44	406.66	7.22	-41.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020270551	0	48	-1.0	-44.23	405.71	7.56	-36.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020270551	1	48	-1.0	-44.21	405.65	7.55	-36.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020270552	0	45	-1.0	-45.78	384.50	6.80	-38.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020270552	1	45	-1.0	-45.77	384.44	6.77	-39.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020270553	0	47	-1.0	-42.81	373.48	5.07	-37.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020270553	1	47	-1.0	-42.77	373.54	5.09	-37.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020270554	0	44	-1.0	-45.14	353.17	4.55	-40.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020270554	1	44	-1.0	-45.11	353.22	4.57	-40.54
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020270555	0	51	-1.0	-45.91	402.02	7.39	-38.52
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020270555	1	51	-1.0	-45.85	402.06	7.39	-38.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020270556	0	41	-1.0	-44.81	329.44	5.15	-39.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020270556	1	41	-1.0	-44.81	329.50	5.16	-39.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020270557	0	38	-1.0	-46.44	307.96	4.36	-42.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020270557	1	38	-1.0	-46.43	308.02	4.39	-42.04
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020270558	0	45	-1.0	-47.91	356.74	7.09	-40.82
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020270558	1	45	-1.0	-47.92	356.76	7.08	-40.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020270559	0	48	-1.0	-47.20	405.66	8.09	-39.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020270559	1	48	-1.0	-47.19	405.61	8.08	-39.11
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020270560	0	45	-1.0	-49.93	384.70	7.29	-42.64
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020270560	1	45	-1.0	-49.95	384.64	7.26	-42.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(=O)OC(C)(C)C)CC1	REAL300020270561	0	55	-1.0	-47.50	433.95	8.29	-39.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(=O)OC(C)(C)C)CC1	REAL300020270561	1	55	-1.0	-47.51	434.01	8.31	-39.20
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020270562	0	46	-1.0	-45.67	373.33	8.90	-36.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020270562	1	46	-1.0	-45.67	373.39	8.91	-36.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020270563	0	43	-1.0	-48.87	351.78	8.11	-40.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020270563	1	43	-1.0	-48.80	351.84	8.13	-40.67
CCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020270564	0	48	-1.0	-40.05	371.65	8.37	-31.68
CCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270564	1	48	-1.0	-40.04	371.71	8.39	-31.65
CCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270565	0	45	-1.0	-42.10	350.15	7.59	-34.51
CCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270565	1	45	-1.0	-42.09	350.21	7.61	-34.48
CCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020270566	0	52	-1.0	-41.18	405.09	10.18	-31.00
CCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020270566	1	52	-1.0	-41.12	405.16	10.17	-30.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020270567	0	45	-1.0	-42.51	378.47	7.02	-35.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020270567	1	45	-1.0	-42.48	378.52	7.03	-35.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020270568	0	42	-1.0	-45.10	357.76	6.25	-38.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020270568	1	42	-1.0	-45.05	357.81	6.27	-38.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020270569	0	36	-1.0	-41.91	301.70	4.67	-37.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020270569	1	36	-1.0	-41.89	301.76	4.69	-37.20
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020270570	0	40	-1.0	-44.15	332.52	6.79	-37.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020270570	1	40	-1.0	-44.10	332.56	6.78	-37.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC(C(=O)OC)=N2)C1	REAL300020270571	0	49	-1.0	-47.97	409.47	6.96	-41.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC(C(=O)OC)=N2)C1	REAL300020270571	1	49	-1.0	-47.99	409.42	6.94	-41.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C(F)(F)F)C1	REAL300020270572	0	46	-1.0	-42.51	381.22	8.95	-33.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C(F)(F)F)C1	REAL300020270572	1	46	-1.0	-42.51	381.28	8.97	-33.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020270573	0	46	-1.0	-43.93	372.05	3.59	-40.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020270573	1	46	-1.0	-43.93	372.11	3.61	-40.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020270574	0	43	-1.0	-46.15	346.07	2.79	-43.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020270574	1	43	-1.0	-46.15	346.13	2.82	-43.33
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020270575	0	50	-1.0	-48.25	391.89	5.45	-42.80
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020270575	1	50	-1.0	-48.31	391.94	5.43	-42.88
CCOC1=CC=CC=C1OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020270576	0	54	-1.0	-45.55	426.45	8.60	-36.95
CCOC1=CC=CC=C1OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020270576	1	54	-1.0	-45.58	426.51	8.62	-36.96
CCOC1=CC=CC=C1OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020270577	0	51	-1.0	-45.84	399.41	7.91	-37.93
CCOC1=CC=CC=C1OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020270577	1	51	-1.0	-45.82	399.46	7.93	-37.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020270578	0	43	-1.0	-40.79	334.01	7.11	-33.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020270578	1	43	-1.0	-40.85	334.06	7.12	-33.73
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020270579	0	47	-1.0	-43.15	354.49	9.40	-33.75
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020270579	1	47	-1.0	-43.11	354.51	9.39	-33.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020270580	0	46	-1.0	-43.72	386.18	10.63	-33.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020270580	1	46	-1.0	-43.72	386.24	10.65	-33.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020270581	0	43	-1.0	-45.10	366.65	9.53	-35.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020270581	1	43	-1.0	-45.14	366.71	9.56	-35.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020270582	0	43	-1.0	-40.80	330.71	6.57	-34.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020270582	1	43	-1.0	-40.76	330.77	6.58	-34.18
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020270583	0	47	-1.0	-42.14	361.65	8.85	-33.29
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020270583	1	47	-1.0	-42.11	361.70	8.84	-33.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020270584	0	46	-1.0	-42.11	377.26	6.28	-35.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020270584	1	46	-1.0	-42.10	377.21	6.27	-35.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020270585	0	43	-1.0	-43.43	355.76	5.51	-37.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020270585	1	43	-1.0	-43.43	355.70	5.48	-37.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020270586	0	42	-1.0	-40.06	340.81	7.03	-33.03
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020270586	1	42	-1.0	-40.10	340.87	7.05	-33.05
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020270587	0	46	-1.0	-41.94	367.30	9.02	-32.92
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020270587	1	46	-1.0	-41.90	367.35	9.01	-32.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020270588	0	51	-1.0	-44.09	399.19	1.50	-42.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020270588	1	51	-1.0	-44.08	399.25	1.51	-42.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020270589	0	48	-1.0	-46.04	370.03	0.48	-45.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020270589	1	48	-1.0	-46.09	370.09	0.50	-45.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020270590	0	47	-1.0	-44.15	388.07	2.86	-41.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020270590	1	47	-1.0	-44.17	388.12	2.87	-41.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020270591	0	44	-1.0	-45.29	366.57	2.06	-43.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020270591	1	44	-1.0	-45.31	366.63	2.09	-43.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020270592	0	47	-1.0	-47.74	374.74	4.74	-43.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020270592	1	47	-1.0	-47.72	374.80	4.75	-42.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020270593	0	44	-1.0	-49.80	349.67	4.06	-45.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020270593	1	44	-1.0	-49.83	349.73	4.08	-45.75
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020270594	0	51	-1.0	-50.60	392.09	6.80	-43.80
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020270594	1	51	-1.0	-50.62	392.12	6.80	-43.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020270595	0	45	-1.0	-41.61	361.60	7.73	-33.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020270595	1	45	-1.0	-41.64	361.66	7.75	-33.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020270596	0	42	-1.0	-43.79	339.20	7.05	-36.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020270596	1	42	-1.0	-43.86	339.26	7.07	-36.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020270597	0	49	-1.0	-44.30	391.44	9.72	-34.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020270597	1	49	-1.0	-44.27	391.48	9.71	-34.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020270598	0	50	-1.0	-44.92	397.43	6.33	-38.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020270598	1	50	-1.0	-44.95	397.48	6.34	-38.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020270599	0	47	-1.0	-44.23	377.29	6.49	-37.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020270599	1	47	-1.0	-44.28	377.35	6.51	-37.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C2=CC=C(F)C=C2)C1	REAL300020270600	0	50	-1.0	-41.14	394.82	7.75	-33.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C2=CC=C(F)C=C2)C1	REAL300020270600	1	50	-1.0	-41.14	394.88	7.76	-33.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C2=CC=C(F)C=C2)C1	REAL300020270601	0	47	-1.0	-43.55	378.24	7.11	-36.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C2=CC=C(F)C=C2)C1	REAL300020270601	1	47	-1.0	-43.57	378.30	7.13	-36.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C2C=CC(Cl)=CN12	REAL300020270602	0	45	-1.0	-41.30	395.28	8.70	-32.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C2C=CC(Cl)=CN12	REAL300020270602	1	45	-1.0	-41.26	395.22	8.69	-32.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C2C=CC(Cl)=CN12	REAL300020270603	0	42	-1.0	-42.78	374.64	7.93	-34.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C2C=CC(Cl)=CN12	REAL300020270603	1	42	-1.0	-42.78	374.58	7.91	-34.87
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020270604	0	43	-1.0	-40.42	341.02	3.83	-36.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020270604	1	43	-1.0	-40.41	341.08	3.84	-36.57
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020270605	0	47	-1.0	-42.19	369.54	5.80	-36.39
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020270605	1	47	-1.0	-42.11	369.58	5.79	-36.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020270606	0	50	-1.0	-40.75	368.25	4.79	-35.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020270606	1	50	-1.0	-40.76	368.31	4.81	-35.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020270607	0	47	-1.0	-43.31	351.82	4.17	-39.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020270607	1	47	-1.0	-43.31	351.87	4.19	-39.12
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020270608	0	54	-1.0	-42.97	400.29	6.91	-36.06
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020270608	1	54	-1.0	-42.97	400.33	6.88	-36.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020270609	0	48	-1.0	-40.31	397.32	7.20	-33.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020270609	1	48	-1.0	-40.34	397.38	7.22	-33.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020270610	0	45	-1.0	-42.06	375.82	6.42	-35.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020270610	1	45	-1.0	-42.06	375.87	6.44	-35.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC2=CC=CC=C21	REAL300020270611	0	52	-1.0	-44.39	406.61	9.92	-34.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC2=CC=CC=C21	REAL300020270611	1	52	-1.0	-44.42	406.67	9.94	-34.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020270612	0	49	-1.0	-42.04	396.31	10.52	-31.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020270612	1	49	-1.0	-42.02	396.37	10.54	-31.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020270613	0	46	-1.0	-44.44	370.76	9.81	-34.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020270613	1	46	-1.0	-44.46	370.70	9.80	-34.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020270614	0	50	-1.0	-40.46	393.60	9.77	-30.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020270614	1	50	-1.0	-40.47	393.66	9.78	-30.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020270615	0	47	-1.0	-43.33	372.14	9.01	-34.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020270615	1	47	-1.0	-43.34	372.09	8.98	-34.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020270616	0	51	-1.0	-42.02	394.08	5.33	-36.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020270616	1	51	-1.0	-42.02	394.14	5.34	-36.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020270617	0	48	-1.0	-43.89	374.89	4.64	-39.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020270617	1	48	-1.0	-43.91	374.95	4.67	-39.24
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC)C(C)C1CCC1	REAL300020270618	0	48	-1.0	-40.56	359.61	7.99	-32.57
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC)C(C)C1CCC1	REAL300020270618	1	48	-1.0	-40.57	359.67	8.01	-32.56
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC)C(C)C1CCC1	REAL300020270619	0	45	-1.0	-43.11	349.67	5.72	-37.39
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC)C(C)C1CCC1	REAL300020270619	1	45	-1.0	-43.06	349.61	5.70	-37.36
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC)C(C)C1CCC1	REAL300020270620	0	52	-1.0	-42.13	391.55	10.07	-32.06
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC)C(C)C1CCC1	REAL300020270620	1	52	-1.0	-42.07	391.56	10.07	-32.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020270621	0	50	-1.0	-44.92	397.43	6.33	-38.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020270621	1	50	-1.0	-44.95	397.48	6.34	-38.61
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020270622	0	47	-1.0	-44.23	377.29	6.49	-37.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020270622	1	47	-1.0	-44.28	377.35	6.51	-37.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020270623	0	37	-1.0	-38.56	332.76	7.10	-31.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020270623	1	37	-1.0	-38.56	332.82	7.12	-31.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020270624	0	34	-1.0	-40.14	311.17	6.31	-33.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020270624	1	34	-1.0	-40.15	311.23	6.33	-33.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020270625	0	41	-1.0	-40.93	360.43	9.04	-31.89
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020270625	1	41	-1.0	-40.92	360.54	9.03	-31.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC(OC)=C2)C1	REAL300020270626	0	54	-1.0	-45.09	441.10	7.74	-37.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC(OC)=C2)C1	REAL300020270626	1	54	-1.0	-45.10	441.16	7.76	-37.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC(OC)=C2)C1	REAL300020270627	0	51	-1.0	-48.42	408.06	7.16	-41.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC(OC)=C2)C1	REAL300020270627	1	51	-1.0	-48.45	408.12	7.18	-41.27
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270628	0	45	-1.0	-40.70	367.06	7.75	-32.95
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270628	1	45	-1.0	-40.72	367.12	7.77	-32.95
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270629	0	42	-1.0	-43.01	350.11	8.11	-34.90
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270629	1	42	-1.0	-42.98	350.06	8.09	-34.89
CCN(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270630	0	49	-1.0	-44.18	398.71	10.93	-33.25
CCN(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270630	1	49	-1.0	-44.13	398.75	10.92	-33.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020270631	0	47	-1.0	-46.22	368.20	5.25	-40.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020270631	1	47	-1.0	-46.19	368.25	5.26	-40.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020270632	0	44	-1.0	-49.54	351.64	4.61	-44.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020270632	1	44	-1.0	-49.54	351.69	4.63	-44.91
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC12CC2	REAL300020270633	0	44	-1.0	-42.59	352.09	7.84	-34.75
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC12CC2	REAL300020270633	1	44	-1.0	-42.59	352.15	7.84	-34.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020270634	0	55	-1.0	-40.30	419.96	10.48	-29.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020270634	1	55	-1.0	-40.29	420.01	10.50	-29.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020270635	0	52	-1.0	-43.27	398.15	9.87	-33.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020270635	1	52	-1.0	-43.28	398.21	9.89	-33.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020270636	0	44	-1.0	-41.77	353.21	7.27	-34.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020270636	1	44	-1.0	-41.79	353.27	7.28	-34.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020270637	0	41	-1.0	-45.03	325.23	6.63	-38.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020270637	1	41	-1.0	-45.02	325.29	6.65	-38.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCSC2)C1	REAL300020270638	0	48	-1.0	-43.64	385.31	9.30	-34.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCSC2)C1	REAL300020270638	1	48	-1.0	-43.65	385.35	9.29	-34.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020270639	0	44	-1.0	-47.25	343.41	3.39	-43.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020270639	1	44	-1.0	-47.23	343.46	3.41	-43.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020270640	0	41	-1.0	-48.97	321.31	2.87	-46.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020270640	1	41	-1.0	-48.96	321.36	2.89	-46.07
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020270641	0	48	-1.0	-49.56	375.92	5.50	-44.06
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020270641	1	48	-1.0	-49.44	375.94	5.50	-43.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=NC=C2Cl)CC1	REAL300020270642	0	47	-1.0	-43.20	393.15	6.10	-37.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=NC=C2Cl)CC1	REAL300020270642	1	47	-1.0	-43.22	393.09	6.07	-37.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020270642	1	48	0.0	-66.78	396.08	6.76	-60.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020270642	1	48	0.0	-66.79	396.01	6.75	-60.04
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270643	0	51	-1.0	-39.57	408.42	10.02	-29.55
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270643	1	51	-1.0	-39.61	408.48	10.03	-29.58
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270644	0	48	-1.0	-42.09	391.79	9.36	-32.73
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270644	1	48	-1.0	-42.05	391.73	9.33	-32.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020270645	0	45	-1.0	-40.07	366.07	7.35	-32.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020270645	1	45	-1.0	-40.09	366.13	7.36	-32.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020270646	0	42	-1.0	-41.85	344.22	6.61	-35.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020270646	1	42	-1.0	-41.82	344.28	6.63	-35.19
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020270647	0	49	-1.0	-42.49	393.79	9.53	-32.96
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020270647	1	49	-1.0	-42.50	393.84	9.52	-32.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020270648	0	39	-1.0	-42.99	312.69	3.12	-39.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020270648	1	39	-1.0	-42.95	312.75	3.13	-39.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020270649	0	43	-1.0	-45.66	345.84	5.27	-40.39
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020270649	1	43	-1.0	-45.63	345.85	5.26	-40.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020270650	0	40	-1.0	-43.92	337.61	3.56	-40.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020270650	1	40	-1.0	-43.93	337.66	3.57	-40.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020270651	0	37	-1.0	-44.92	314.73	2.85	-42.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020270651	1	37	-1.0	-44.92	314.67	2.82	-42.10
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN=NN1C	REAL300020270652	0	44	-1.0	-48.51	354.24	5.65	-42.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN=NN1C	REAL300020270652	1	44	-1.0	-48.51	354.25	5.63	-42.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020270653	0	43	-1.0	-40.62	340.67	6.09	-34.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020270653	1	43	-1.0	-40.63	340.73	6.10	-34.53
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC1CC1	REAL300020270654	0	47	-1.0	-44.32	378.29	7.77	-36.55
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC1CC1	REAL300020270654	1	47	-1.0	-44.28	378.33	7.77	-36.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020270655	0	52	-1.0	-39.58	397.46	7.28	-32.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020270655	1	52	-1.0	-39.55	397.52	7.29	-32.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020270656	0	49	-1.0	-42.56	375.68	6.66	-35.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020270656	1	49	-1.0	-42.53	375.74	6.68	-35.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020270657	0	56	-1.0	-42.57	418.67	9.26	-33.31
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020270657	1	56	-1.0	-42.49	418.72	9.25	-33.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020270658	0	46	-1.0	-50.61	375.37	3.43	-47.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020270658	1	46	-1.0	-50.64	375.43	3.45	-47.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020270659	0	43	-1.0	-45.06	355.30	2.63	-42.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020270659	1	43	-1.0	-45.09	355.36	2.65	-42.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020270660	0	50	-1.0	-51.76	400.27	5.21	-46.55
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020270660	1	50	-1.0	-51.72	400.30	5.20	-46.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020270661	0	47	-1.0	-46.33	381.47	5.88	-40.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020270661	1	47	-1.0	-46.34	381.53	5.89	-40.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020270662	0	44	-1.0	-46.76	356.31	4.89	-41.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020270662	1	44	-1.0	-46.83	356.37	4.92	-41.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2[C@@H](C)C1	REAL300020270663	0	49	-1.0	-41.75	366.77	7.60	-34.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2[C@@H](C)C1	REAL300020270663	1	49	-1.0	-41.77	366.82	7.62	-34.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2[C@@H](C)C1	REAL300020270664	0	46	-1.0	-43.62	348.61	6.71	-36.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2[C@@H](C)C1	REAL300020270664	1	46	-1.0	-43.63	348.66	6.74	-36.89
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270665	0	48	-1.0	-40.86	399.07	8.83	-32.03
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270665	1	48	-1.0	-40.81	399.12	8.84	-31.97
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270666	0	45	-1.0	-43.15	384.06	8.25	-34.90
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270666	1	45	-1.0	-43.14	384.12	8.28	-34.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300020270667	0	50	-1.0	-45.76	407.56	8.97	-36.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300020270667	1	50	-1.0	-45.76	407.61	8.99	-36.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020270668	0	50	-1.0	-43.07	395.74	6.25	-36.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020270668	1	50	-1.0	-43.09	395.79	6.27	-36.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020270669	0	47	-1.0	-44.07	380.66	5.65	-38.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020270669	1	47	-1.0	-44.08	380.71	5.68	-38.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300020270670	0	44	-1.0	-41.27	384.20	6.75	-34.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300020270670	1	44	-1.0	-41.28	384.26	6.76	-34.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300020270671	0	41	-1.0	-44.07	356.84	5.93	-38.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300020270671	1	41	-1.0	-44.04	356.90	5.95	-38.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020270672	0	43	-1.0	-41.89	358.14	7.55	-34.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020270672	1	43	-1.0	-41.83	358.19	7.57	-34.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020270673	0	40	-1.0	-46.07	333.21	6.69	-39.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020270673	1	40	-1.0	-46.10	333.16	6.67	-39.43
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020270674	0	47	-1.0	-43.83	383.16	9.42	-34.41
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020270674	1	47	-1.0	-43.76	383.20	9.41	-34.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C(OC)=C2)C1	REAL300020270675	0	54	-1.0	-45.13	419.00	7.84	-37.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C(OC)=C2)C1	REAL300020270675	1	54	-1.0	-45.12	419.05	7.86	-37.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C(OC)=C2)C1	REAL300020270676	0	51	-1.0	-48.28	402.33	7.21	-41.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C(OC)=C2)C1	REAL300020270676	1	51	-1.0	-48.31	402.38	7.23	-41.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020270677	0	41	-1.0	-40.30	363.86	6.74	-33.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020270677	1	41	-1.0	-40.32	363.92	6.75	-33.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020270678	0	38	-1.0	-42.37	338.02	5.76	-36.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020270678	1	38	-1.0	-42.41	338.08	5.77	-36.64
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020270679	0	45	-1.0	-42.55	386.44	8.94	-33.61
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020270679	1	45	-1.0	-42.54	386.49	8.93	-33.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020270680	0	52	-1.0	-42.28	395.23	7.29	-34.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020270680	1	52	-1.0	-42.29	395.29	7.30	-34.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020270681	0	49	-1.0	-43.10	381.11	6.48	-36.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020270681	1	49	-1.0	-43.11	381.17	6.51	-36.60
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020270682	0	56	-1.0	-44.56	419.20	9.27	-35.29
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020270682	1	56	-1.0	-44.59	419.23	9.26	-35.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020270683	0	53	-1.0	-41.45	380.52	10.22	-31.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020270683	1	53	-1.0	-41.48	380.58	10.24	-31.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020270684	0	50	-1.0	-43.15	363.82	9.58	-33.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020270684	1	50	-1.0	-43.15	363.88	9.61	-33.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020270685	0	53	-1.0	-43.11	405.92	9.79	-33.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020270685	1	53	-1.0	-43.14	405.98	9.81	-33.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020270686	0	50	-1.0	-45.70	384.72	9.02	-36.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020270686	1	50	-1.0	-45.71	384.78	9.05	-36.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2NC(=O)N(C)C2=O)CC1	REAL300020270687	0	51	-1.0	-46.86	411.47	4.68	-42.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2NC(=O)N(C)C2=O)CC1	REAL300020270687	1	51	-1.0	-46.94	411.53	4.69	-42.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2NC(=O)N(C)C2=O)CC1	REAL300020270688	0	48	-1.0	-48.73	386.04	3.95	-44.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2NC(=O)N(C)C2=O)CC1	REAL300020270688	1	48	-1.0	-48.73	386.10	3.97	-44.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(N2C=CC=N2)S1	REAL300020270689	0	45	-1.0	-43.04	398.61	7.40	-35.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(N2C=CC=N2)S1	REAL300020270689	1	45	-1.0	-43.05	398.55	7.38	-35.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(N2C=CC=N2)S1	REAL300020270690	0	42	-1.0	-44.94	377.01	6.64	-38.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(N2C=CC=N2)S1	REAL300020270690	1	42	-1.0	-44.96	376.95	6.61	-38.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C1	REAL300020270691	0	40	-1.0	-43.86	331.29	6.40	-37.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C1	REAL300020270691	1	40	-1.0	-43.91	331.34	6.41	-37.50
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)C1	REAL300020270692	0	44	-1.0	-45.95	361.06	8.42	-37.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)C1	REAL300020270692	1	44	-1.0	-45.97	361.09	8.41	-37.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020270693	0	46	-1.0	-43.10	374.75	8.46	-34.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020270693	1	46	-1.0	-43.12	374.81	8.47	-34.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020270694	0	43	-1.0	-46.16	352.86	7.85	-38.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020270694	1	43	-1.0	-46.14	352.91	7.86	-38.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020270695	0	52	-1.0	-42.94	410.06	7.44	-35.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020270695	1	52	-1.0	-42.94	410.11	7.46	-35.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020270696	0	49	-1.0	-44.11	396.17	6.66	-37.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020270696	1	49	-1.0	-44.10	396.23	6.69	-37.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020270697	0	47	-1.0	-43.76	380.95	1.83	-41.93
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020270697	1	47	-1.0	-43.81	381.01	1.85	-41.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020270698	0	44	-1.0	-45.90	361.62	1.18	-44.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020270698	1	44	-1.0	-45.92	361.67	1.21	-44.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020270699	0	52	-1.0	-42.18	424.28	9.24	-32.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020270699	1	52	-1.0	-42.14	424.22	9.23	-32.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020270700	0	49	-1.0	-44.38	402.78	8.47	-35.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020270700	1	49	-1.0	-44.39	402.72	8.44	-35.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300020270701	0	45	-1.0	-40.64	395.85	8.86	-31.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300020270701	1	45	-1.0	-40.63	395.91	8.87	-31.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300020270702	0	42	-1.0	-43.02	370.39	8.09	-34.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300020270702	1	42	-1.0	-43.03	370.44	8.10	-34.93
CCCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270703	0	47	-1.0	-40.53	364.37	8.11	-32.42
CCCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270703	1	47	-1.0	-40.52	364.43	8.12	-32.40
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270704	0	51	-1.0	-42.11	396.58	10.19	-31.92
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270704	1	51	-1.0	-42.12	396.64	10.18	-31.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020270705	0	46	-1.0	-45.67	373.33	8.90	-36.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020270705	1	46	-1.0	-45.67	373.39	8.91	-36.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020270706	0	43	-1.0	-48.87	351.78	8.11	-40.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020270706	1	43	-1.0	-48.80	351.84	8.13	-40.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OCC(C)(C)C)=CC=C2C1	REAL300020270707	0	56	-1.0	-46.17	432.59	9.10	-37.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OCC(C)(C)C)=CC=C2C1	REAL300020270707	1	56	-1.0	-46.19	432.65	9.12	-37.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020270708	0	46	-1.0	-49.79	397.64	10.22	-39.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020270708	1	46	-1.0	-49.79	397.58	10.20	-39.59
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020270709	0	43	-1.0	-51.99	370.66	9.54	-42.45
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020270709	1	43	-1.0	-52.01	370.61	9.52	-42.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020270710	0	44	-1.0	-49.36	366.32	5.46	-43.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020270710	1	44	-1.0	-49.34	366.27	5.45	-43.89
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020270711	0	41	-1.0	-52.21	349.57	4.83	-47.38
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020270711	1	41	-1.0	-52.19	349.51	4.81	-47.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Br	REAL300020270712	0	42	-1.0	-42.88	376.74	6.21	-36.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Br	REAL300020270712	1	42	-1.0	-42.91	376.80	6.22	-36.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Br	REAL300020270713	0	39	-1.0	-46.10	349.92	5.19	-40.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Br	REAL300020270713	1	39	-1.0	-46.11	349.99	5.21	-40.90
C#CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020270714	0	45	-1.0	-43.56	372.53	6.54	-37.02
C#CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020270714	1	45	-1.0	-43.56	372.59	6.56	-37.00
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020270715	0	42	-1.0	-46.61	355.08	5.89	-40.72
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020270715	1	42	-1.0	-46.63	355.13	5.92	-40.71
C#CCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020270716	0	49	-1.0	-46.81	393.63	8.72	-38.09
C#CCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020270716	1	49	-1.0	-46.79	393.68	8.72	-38.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020270717	0	43	-1.0	-40.66	334.18	6.78	-33.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020270717	1	43	-1.0	-40.62	334.23	6.79	-33.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020270718	0	40	-1.0	-42.20	323.20	5.91	-36.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020270718	1	40	-1.0	-42.21	323.26	5.93	-36.28
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCSCC1	REAL300020270719	0	47	-1.0	-42.24	372.06	9.10	-33.14
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCSCC1	REAL300020270719	1	47	-1.0	-42.21	372.09	9.09	-33.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020270720	0	44	-1.0	-50.28	371.32	4.63	-45.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020270720	1	44	-1.0	-50.30	371.27	4.62	-45.68
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020270721	0	41	-1.0	-51.60	349.84	3.86	-47.74
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020270721	1	41	-1.0	-51.61	349.78	3.83	-47.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020270722	0	51	-1.0	-41.16	402.15	10.28	-30.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020270722	1	51	-1.0	-41.15	402.21	10.30	-30.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020270723	0	48	-1.0	-42.47	389.45	9.34	-33.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020270723	1	48	-1.0	-42.44	389.51	9.35	-33.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020270724	0	42	-1.0	-42.78	354.99	7.62	-35.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020270724	1	42	-1.0	-42.78	355.04	7.63	-35.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020270725	0	39	-1.0	-43.23	333.20	7.06	-36.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020270725	1	39	-1.0	-43.21	333.14	7.04	-36.17
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020270726	0	46	-1.0	-44.16	380.12	9.82	-34.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020270726	1	46	-1.0	-44.14	380.10	9.81	-34.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020270727	0	49	-1.0	-43.19	411.03	8.96	-34.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020270727	1	49	-1.0	-43.23	410.97	8.95	-34.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020270728	0	46	-1.0	-44.21	389.21	8.24	-35.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020270728	1	46	-1.0	-44.22	389.14	8.22	-36.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020270729	0	48	-1.0	-42.07	375.91	8.79	-33.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020270729	1	48	-1.0	-42.08	375.97	8.80	-33.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020270730	0	45	-1.0	-43.18	353.54	7.96	-35.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020270730	1	45	-1.0	-43.15	353.61	7.98	-35.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020270731	0	45	-1.0	-47.32	365.17	6.50	-40.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020270731	1	45	-1.0	-47.31	365.22	6.52	-40.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020270732	0	42	-1.0	-49.86	342.84	5.67	-44.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020270732	1	42	-1.0	-49.87	342.90	5.70	-44.17
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270733	0	46	-1.0	-40.41	392.38	8.94	-31.47
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270733	1	46	-1.0	-40.45	392.44	8.96	-31.49
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270734	0	43	-1.0	-43.39	369.76	8.09	-35.30
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270734	1	43	-1.0	-43.35	369.71	8.06	-35.29
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1=O	REAL300020270735	0	42	-1.0	-43.72	354.25	5.78	-37.94
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1=O	REAL300020270735	1	42	-1.0	-43.71	354.31	5.79	-37.92
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1=O	REAL300020270736	0	39	-1.0	-44.70	332.81	5.01	-39.69
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1=O	REAL300020270736	1	39	-1.0	-44.68	332.75	4.98	-39.70
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1=O	REAL300020270737	0	46	-1.0	-46.14	381.87	7.72	-38.42
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1=O	REAL300020270737	1	46	-1.0	-46.13	381.96	7.71	-38.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)C(C)=C1	REAL300020270738	0	42	-1.0	-41.05	365.57	8.22	-32.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)C(C)=C1	REAL300020270738	1	42	-1.0	-41.02	365.62	8.23	-32.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)C1	REAL300020270739	0	44	-1.0	-43.78	348.46	6.34	-37.44
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)C1	REAL300020270739	1	44	-1.0	-43.76	348.49	6.33	-37.43
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270740	0	50	-1.0	-41.79	410.83	7.90	-33.89
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270740	1	50	-1.0	-41.80	410.89	7.92	-33.88
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270741	0	47	-1.0	-44.47	382.55	6.86	-37.61
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270741	1	47	-1.0	-44.51	382.48	6.83	-37.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCNC(=O)OC(C)(C)C)C(C)C	REAL300020270742	0	58	-1.0	-48.12	446.54	5.01	-43.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCNC(=O)OC(C)(C)C)C(C)C	REAL300020270742	1	58	-1.0	-48.11	446.59	5.02	-43.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCNC(=O)OC(C)(C)C)C(C)C	REAL300020270743	0	55	-1.0	-51.90	425.51	4.20	-47.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCNC(=O)OC(C)(C)C)C(C)C	REAL300020270743	1	55	-1.0	-51.89	425.57	4.23	-47.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020270744	0	46	-1.0	-39.34	387.54	9.43	-29.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020270744	1	46	-1.0	-39.35	387.59	9.44	-29.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020270745	0	43	-1.0	-44.54	355.37	7.47	-37.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020270745	1	43	-1.0	-44.56	355.43	7.49	-37.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020270746	0	43	-1.0	-41.04	351.45	8.13	-32.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020270746	1	43	-1.0	-41.08	351.50	8.14	-32.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020270747	0	40	-1.0	-43.78	329.39	7.32	-36.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020270747	1	40	-1.0	-43.75	329.34	7.30	-36.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020270748	0	47	-1.0	-42.89	379.86	10.11	-32.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020270748	1	47	-1.0	-42.86	379.90	10.10	-32.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020270749	0	43	-1.0	-46.05	344.01	5.13	-40.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020270749	1	43	-1.0	-46.03	344.07	5.14	-40.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020270750	0	40	-1.0	-48.46	315.98	4.49	-43.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020270750	1	40	-1.0	-48.47	315.93	4.48	-43.99
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020270751	0	47	-1.0	-47.69	368.96	7.45	-40.24
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020270751	1	47	-1.0	-47.61	368.99	7.44	-40.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300020270752	0	47	-1.0	-42.10	393.46	8.38	-33.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300020270752	1	47	-1.0	-42.14	393.51	8.40	-33.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020270753	0	50	-1.0	-49.04	398.90	4.09	-44.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020270753	1	50	-1.0	-48.99	398.95	4.11	-44.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020270754	0	47	-1.0	-51.46	373.40	3.51	-47.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020270754	1	47	-1.0	-51.49	373.46	3.54	-47.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020270755	0	45	-1.0	-41.77	367.21	7.70	-34.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020270755	1	45	-1.0	-41.78	367.27	7.71	-34.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020270756	0	42	-1.0	-43.84	329.65	6.36	-37.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020270756	1	42	-1.0	-43.85	329.71	6.39	-37.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020270757	0	49	-1.0	-46.61	380.13	9.13	-37.48
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020270757	1	49	-1.0	-46.63	380.16	9.12	-37.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300020270758	0	51	-1.0	-50.98	402.29	6.95	-44.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300020270758	1	51	-1.0	-50.95	402.35	6.97	-43.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300020270759	0	53	-1.0	-43.16	413.11	10.38	-32.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300020270759	1	53	-1.0	-43.17	413.16	10.40	-32.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300020270760	0	50	-1.0	-42.81	397.61	9.78	-33.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300020270760	1	50	-1.0	-42.78	397.67	9.82	-32.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020270761	0	52	-1.0	-40.35	412.49	10.02	-30.33
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020270761	1	52	-1.0	-40.35	412.55	10.03	-30.32
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020270762	0	49	-1.0	-43.50	386.74	9.29	-34.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020270762	1	49	-1.0	-43.47	386.80	9.31	-34.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CC2=CC=CC=C2)[C@H](C(=O)OC)C1	REAL300020270763	0	52	-1.0	-47.37	414.54	9.58	-37.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CC2=CC=CC=C2)[C@H](C(=O)OC)C1	REAL300020270763	1	52	-1.0	-47.40	414.59	9.60	-37.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020270764	0	53	-1.0	-40.22	377.49	8.56	-31.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020270764	1	53	-1.0	-40.19	377.55	8.57	-31.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020270765	0	50	-1.0	-41.95	351.37	7.82	-34.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020270765	1	50	-1.0	-41.95	351.42	7.84	-34.11
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CCO1	REAL300020270766	0	46	-1.0	-39.86	362.61	6.04	-33.82
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CCO1	REAL300020270766	1	46	-1.0	-39.89	362.67	6.05	-33.84
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CCO1	REAL300020270767	0	43	-1.0	-41.75	333.90	5.42	-36.33
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CCO1	REAL300020270767	1	43	-1.0	-41.80	333.96	5.43	-36.37
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CCO1	REAL300020270768	0	50	-1.0	-41.70	389.51	7.98	-33.72
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CCO1	REAL300020270768	1	50	-1.0	-41.65	389.54	7.97	-33.68
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020270769	0	49	-1.0	-41.43	352.61	8.13	-33.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020270769	1	49	-1.0	-41.45	352.67	8.14	-33.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020270770	0	46	-1.0	-43.83	328.70	7.51	-36.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020270770	1	46	-1.0	-43.86	328.76	7.53	-36.33
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020270771	0	53	-1.0	-41.18	395.16	10.34	-30.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020270771	1	53	-1.0	-41.17	395.19	10.33	-30.84
C=CCCC1(C(=O)OC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020270772	0	55	-1.0	-41.10	430.69	8.99	-32.11
C=CCCC1(C(=O)OC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270772	1	55	-1.0	-41.09	430.75	9.00	-32.09
C=CCCC1(C(=O)OC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270773	0	52	-1.0	-42.37	408.32	8.39	-33.98
C=CCCC1(C(=O)OC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270773	1	52	-1.0	-42.39	408.37	8.42	-33.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020270774	0	43	-1.0	-43.11	356.37	8.46	-34.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020270774	1	43	-1.0	-43.09	356.31	8.44	-34.65
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020270775	0	40	-1.0	-45.94	329.50	7.78	-38.16
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020270775	1	40	-1.0	-45.88	329.43	7.76	-38.12
CCN1C(NC2=CC=C(C)C(OC)=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020270776	0	47	-1.0	-45.24	384.90	10.35	-34.89
CCN1C(NC2=CC=C(C)C(OC)=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020270776	1	47	-1.0	-45.28	384.82	10.36	-34.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)NCC2CC2)C1	REAL300020270777	0	51	-1.0	-51.75	417.35	3.75	-48.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)NCC2CC2)C1	REAL300020270777	1	51	-1.0	-51.78	417.40	3.77	-48.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)NCC2CC2)C1	REAL300020270778	0	48	-1.0	-54.88	390.30	3.07	-51.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)NCC2CC2)C1	REAL300020270778	1	48	-1.0	-54.88	390.36	3.09	-51.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020270779	0	43	-1.0	-49.61	349.70	4.09	-45.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020270779	1	43	-1.0	-49.61	349.76	4.11	-45.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020270780	0	40	-1.0	-46.84	332.92	4.51	-42.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020270780	1	40	-1.0	-46.86	332.87	4.50	-42.36
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020270781	0	47	-1.0	-51.41	376.69	6.42	-44.99
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020270781	1	47	-1.0	-51.42	376.75	6.42	-45.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020270782	0	46	-1.0	-42.02	376.80	8.14	-33.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020270782	1	46	-1.0	-42.02	376.86	8.15	-33.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020270783	0	43	-1.0	-44.51	356.08	7.51	-37.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020270783	1	43	-1.0	-44.54	356.03	7.48	-37.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020270784	0	43	-1.0	-47.24	365.06	7.16	-40.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020270784	1	43	-1.0	-47.23	365.11	7.18	-40.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020270785	0	40	-1.0	-51.64	339.55	6.45	-45.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020270785	1	40	-1.0	-51.66	339.61	6.46	-45.20
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020270786	0	47	-1.0	-48.92	388.57	9.32	-39.60
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020270786	1	47	-1.0	-48.95	388.60	9.31	-39.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300020270787	0	50	-1.0	-43.95	399.10	6.45	-37.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300020270787	1	50	-1.0	-43.93	399.16	6.47	-37.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300020270788	0	47	-1.0	-46.25	376.29	5.45	-40.80
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300020270788	1	47	-1.0	-46.26	376.35	5.48	-40.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=C(Cl)C=C2)C1	REAL300020270789	0	47	-1.0	-46.22	387.70	6.06	-40.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=C(Cl)C=C2)C1	REAL300020270789	1	47	-1.0	-46.25	387.76	6.09	-40.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020270790	0	50	-1.0	-42.52	388.21	9.60	-32.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020270790	1	50	-1.0	-42.57	388.27	9.61	-32.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020270791	0	47	-1.0	-45.53	364.75	9.09	-36.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020270791	1	47	-1.0	-45.56	364.80	9.11	-36.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020270792	0	53	-1.0	-40.73	388.49	7.42	-33.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020270792	1	53	-1.0	-40.80	388.55	7.44	-33.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020270793	0	50	-1.0	-43.26	368.73	7.05	-36.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020270793	1	50	-1.0	-43.27	368.78	7.06	-36.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020270794	0	47	-1.0	-47.13	361.70	4.32	-42.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020270794	1	47	-1.0	-47.08	361.76	4.33	-42.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020270795	0	44	-1.0	-48.61	348.74	3.61	-45.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020270795	1	44	-1.0	-48.62	348.79	3.63	-44.99
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020270796	0	51	-1.0	-49.54	389.12	6.26	-43.28
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020270796	1	51	-1.0	-49.50	389.13	6.26	-43.24
CCC=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020270797	0	43	-1.0	-41.14	341.23	7.32	-33.82
CCC=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020270797	1	43	-1.0	-41.13	341.29	7.34	-33.79
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020270798	0	47	-1.0	-42.95	369.16	9.27	-33.68
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020270798	1	47	-1.0	-42.89	369.18	9.27	-33.62
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020270799	0	44	-1.0	-47.44	360.03	1.22	-46.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020270799	1	44	-1.0	-47.46	360.09	1.23	-46.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020270800	0	41	-1.0	-50.22	340.85	0.86	-49.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020270800	1	41	-1.0	-50.22	340.91	0.89	-49.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020270801	0	46	-1.0	-42.06	361.58	4.26	-37.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020270801	1	46	-1.0	-42.06	361.64	4.27	-37.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020270802	0	43	-1.0	-43.63	340.08	3.47	-40.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020270802	1	43	-1.0	-43.62	340.14	3.50	-40.12
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020270803	0	50	-1.0	-43.34	390.57	6.12	-37.22
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020270803	1	50	-1.0	-43.35	390.61	6.12	-37.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020270804	0	42	-1.0	-41.47	341.76	7.06	-34.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020270804	1	42	-1.0	-41.52	341.82	7.07	-34.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020270805	0	39	-1.0	-43.75	321.55	6.26	-37.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020270805	1	39	-1.0	-43.74	321.62	6.28	-37.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(F)F)C1	REAL300020270806	0	46	-1.0	-44.06	366.69	8.81	-35.25
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(F)F)C1	REAL300020270806	1	46	-1.0	-44.08	366.69	8.80	-35.28
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270807	0	49	0.0	-66.38	375.52	7.77	-58.61
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270807	1	49	0.0	-66.24	371.57	8.21	-58.03
C=CCN1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270807	1	48	-1.0	-40.01	374.59	5.75	-34.26
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270808	0	46	0.0	-66.38	338.33	6.50	-59.88
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270808	1	46	0.0	-62.70	356.40	7.20	-55.50
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270808	1	46	0.0	-66.41	338.39	6.53	-59.88
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270808	1	46	0.0	-62.71	356.46	7.23	-55.48
C=CC[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020270809	0	53	0.0	-71.81	392.96	9.11	-62.70
C=CC[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CC1	REAL300020270809	1	53	0.0	-71.23	401.03	10.36	-60.87
C=CC[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020270809	1	53	0.0	-71.83	392.93	9.12	-62.71
C=CC[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CC1	REAL300020270809	1	53	0.0	-71.22	400.99	10.35	-60.87
C#CCN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC)C=N1	REAL300020270810	0	38	-1.0	-49.61	332.26	7.51	-42.10
C#CCN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC)C=N1	REAL300020270810	1	38	-1.0	-49.62	332.21	7.49	-42.13
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C=N1	REAL300020270811	0	42	-1.0	-51.64	365.40	9.59	-42.05
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C=N1	REAL300020270811	1	42	-1.0	-51.65	365.37	9.60	-42.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020270812	0	53	0.0	-66.98	384.68	7.98	-59.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020270812	1	53	0.0	-66.97	384.74	7.99	-58.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020270813	0	50	0.0	-69.89	362.65	7.44	-62.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020270813	1	50	0.0	-69.87	362.71	7.46	-62.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C	REAL300020270814	0	54	-1.0	-45.95	423.20	5.78	-40.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C	REAL300020270814	1	54	-1.0	-45.95	423.26	5.79	-40.16
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C	REAL300020270815	0	51	-1.0	-48.19	400.91	5.20	-42.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C	REAL300020270815	1	51	-1.0	-48.17	400.96	5.23	-42.94
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020270816	0	49	-1.0	-41.58	356.14	7.40	-34.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020270816	1	49	-1.0	-41.58	356.19	7.41	-34.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020270817	0	46	-1.0	-43.72	333.43	6.95	-36.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020270817	1	46	-1.0	-43.72	333.48	6.93	-36.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020270818	0	53	-1.0	-42.45	401.80	10.26	-32.19
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020270818	1	53	-1.0	-42.43	401.88	10.24	-32.19
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC)C1CCOC1	REAL300020270819	0	43	-1.0	-41.56	321.60	4.55	-37.01
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC)C1CCOC1	REAL300020270819	1	43	-1.0	-41.59	321.66	4.57	-37.02
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC)C1CCOC1	REAL300020270820	0	47	-1.0	-43.55	363.62	5.73	-37.82
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC)C1CCOC1	REAL300020270820	1	47	-1.0	-43.57	363.65	5.72	-37.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020270821	0	49	-1.0	-40.98	366.19	8.38	-32.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020270821	1	49	-1.0	-40.99	366.25	8.39	-32.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020270822	0	46	-1.0	-44.72	342.36	7.55	-37.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020270822	1	46	-1.0	-44.69	342.40	7.56	-37.13
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(C)CCCC12	REAL300020270823	0	53	-1.0	-43.55	383.35	9.87	-33.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(C)CCCC12	REAL300020270823	1	53	-1.0	-43.60	383.39	9.86	-33.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020270824	0	48	-1.0	-46.87	395.27	4.88	-41.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020270824	1	48	-1.0	-46.83	395.32	4.90	-41.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020270825	0	45	-1.0	-47.35	373.41	4.13	-43.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020270825	1	45	-1.0	-47.31	373.50	4.15	-43.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020270826	0	49	-1.0	-40.66	382.63	9.16	-31.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020270826	1	49	-1.0	-40.67	382.68	9.17	-31.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020270827	0	46	-1.0	-42.95	368.98	8.99	-33.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020270827	1	46	-1.0	-42.99	369.05	9.00	-33.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(Br)SC=C1	REAL300020270828	0	39	-1.0	-41.24	356.03	7.60	-33.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(Br)SC=C1	REAL300020270828	1	39	-1.0	-41.24	356.09	7.61	-33.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(Br)SC=C1	REAL300020270829	0	36	-1.0	-42.49	341.29	6.63	-35.86
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(Br)SC=C1	REAL300020270829	1	36	-1.0	-42.48	341.35	6.65	-35.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020270830	0	42	-1.0	-42.99	372.45	6.11	-36.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020270830	1	42	-1.0	-42.99	372.50	6.13	-36.86
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020270831	0	39	-1.0	-46.27	346.71	5.13	-41.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020270831	1	39	-1.0	-46.26	346.77	5.16	-41.10
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020270832	0	46	-1.0	-46.69	386.09	7.92	-38.77
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020270832	1	46	-1.0	-46.68	386.10	7.91	-38.77
CCN(CCOCCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270833	0	49	-1.0	-41.31	395.70	5.05	-36.26
CCN(CCOCCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270833	1	49	-1.0	-41.35	395.76	5.06	-36.29
CCN(CCOCCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270834	0	46	-1.0	-44.34	366.56	3.78	-40.56
CCN(CCOCCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270834	1	46	-1.0	-44.32	366.61	3.81	-40.51
CCN(CCOCCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270835	0	53	-1.0	-44.32	412.77	6.44	-37.88
CCN(CCOCCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270835	1	53	-1.0	-44.31	412.81	6.43	-37.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1Cl	REAL300020270836	0	43	-1.0	-40.62	368.12	8.18	-32.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1Cl	REAL300020270836	1	43	-1.0	-40.61	368.18	8.20	-32.41
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270837	0	47	-1.0	-42.86	388.30	7.19	-35.67
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270837	1	47	-1.0	-42.89	388.36	7.21	-35.68
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270838	0	44	-1.0	-43.42	353.98	5.99	-37.43
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270838	1	44	-1.0	-43.40	354.04	6.01	-37.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020270839	0	51	-1.0	-49.47	388.74	4.10	-45.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020270839	1	51	-1.0	-49.48	388.80	4.11	-45.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020270840	0	48	-1.0	-45.22	372.98	4.47	-40.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020270840	1	48	-1.0	-45.20	373.04	4.49	-40.71
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270841	0	51	-1.0	-40.56	396.46	6.92	-33.64
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270841	1	51	-1.0	-40.53	396.52	6.93	-33.60
CCN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270842	0	48	-1.0	-42.23	367.32	5.69	-36.54
CCN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270842	1	48	-1.0	-42.27	367.39	5.71	-36.56
CCN(CCOC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270843	0	55	-1.0	-42.23	413.47	8.35	-33.88
CCN(CCOC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270843	1	55	-1.0	-42.20	413.51	8.34	-33.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020270844	0	49	-1.0	-46.88	391.55	6.44	-40.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020270844	1	49	-1.0	-46.86	391.61	6.45	-40.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020270845	0	46	-1.0	-49.15	374.34	5.57	-43.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020270845	1	46	-1.0	-49.19	374.40	5.60	-43.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)(C(=O)OC)CC1	REAL300020270846	0	55	-1.0	-42.68	430.06	6.74	-35.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)(C(=O)OC)CC1	REAL300020270846	1	55	-1.0	-42.63	430.11	6.76	-35.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)(C(=O)OC)CC1	REAL300020270847	0	52	-1.0	-43.99	407.68	6.15	-37.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)(C(=O)OC)CC1	REAL300020270847	1	52	-1.0	-44.00	407.73	6.17	-37.83
C=CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020270848	0	43	-1.0	-39.70	349.35	7.34	-32.36
C=CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020270848	1	43	-1.0	-39.68	349.41	7.36	-32.32
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020270849	0	47	-1.0	-42.93	367.02	9.34	-33.59
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020270849	1	47	-1.0	-42.88	367.05	9.34	-33.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020270850	0	51	-1.0	-40.63	383.21	7.38	-33.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020270850	1	51	-1.0	-40.65	383.27	7.40	-33.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020270851	0	48	-1.0	-42.04	367.51	6.82	-35.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020270851	1	48	-1.0	-42.07	367.56	6.82	-35.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020270852	0	49	-1.0	-40.73	358.31	6.11	-34.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020270852	1	49	-1.0	-40.73	358.37	6.13	-34.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020270853	0	46	-1.0	-42.84	350.92	5.51	-37.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020270853	1	46	-1.0	-42.79	350.98	5.53	-37.26
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020270854	0	53	-1.0	-42.88	390.47	8.20	-34.68
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020270854	1	53	-1.0	-42.91	390.50	8.20	-34.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020270855	0	41	-1.0	-41.22	338.70	3.63	-37.59
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020270855	1	41	-1.0	-41.23	338.76	3.64	-37.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020270856	0	38	-1.0	-42.52	317.13	2.87	-39.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020270856	1	38	-1.0	-42.52	317.08	2.84	-39.68
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020270857	0	45	-1.0	-43.72	366.41	5.58	-38.14
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020270857	1	45	-1.0	-43.70	366.47	5.57	-38.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=CSC3=CC=C2)CC1	REAL300020270858	0	48	-1.0	-43.58	400.13	8.00	-35.58
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=CSC3=CC=C2)CC1	REAL300020270858	1	48	-1.0	-43.55	400.19	8.02	-35.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020270859	0	48	-1.0	-39.97	369.86	5.59	-34.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020270859	1	49	0.0	-61.21	378.63	7.93	-53.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020270859	1	49	0.0	-60.62	377.87	8.02	-52.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020270859	1	48	-1.0	-39.99	369.92	5.61	-34.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020270860	0	46	0.0	-58.02	360.71	7.25	-50.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020270860	1	46	0.0	-59.73	352.23	7.29	-52.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020270860	1	46	0.0	-58.03	360.76	7.27	-50.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020270860	1	46	0.0	-59.72	352.29	7.31	-52.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020270860	1	45	-1.0	-41.89	351.79	4.91	-36.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020270860	1	45	-1.0	-41.91	351.85	4.94	-36.97
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020270861	0	53	0.0	-65.88	410.64	10.00	-55.88
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020270861	1	53	0.0	-65.83	404.89	10.01	-55.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020270861	1	52	-1.0	-41.57	401.81	7.68	-33.89
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020270861	1	52	-1.0	-41.58	401.87	7.67	-33.91
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020270862	0	51	-1.0	-40.73	396.14	5.31	-35.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020270862	1	51	-1.0	-40.76	396.20	5.32	-35.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020270863	0	48	-1.0	-42.44	378.49	4.37	-38.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020270863	1	48	-1.0	-42.45	378.55	4.39	-38.06
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(F)(F)Cl)C1	REAL300020270864	0	42	-1.0	-41.24	372.28	7.36	-33.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(F)(F)Cl)C1	REAL300020270864	1	42	-1.0	-41.25	372.34	7.37	-33.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(F)(F)Cl)C1	REAL300020270865	0	39	-1.0	-41.81	350.76	6.57	-35.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(F)(F)Cl)C1	REAL300020270865	1	39	-1.0	-41.86	350.82	6.60	-35.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020270866	0	51	-1.0	-41.85	400.76	8.58	-33.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020270866	1	51	-1.0	-41.89	400.81	8.59	-33.30
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020270867	0	48	-1.0	-43.43	379.87	7.81	-35.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020270867	1	48	-1.0	-43.46	379.93	7.83	-35.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020270868	0	46	-1.0	-42.19	378.33	9.63	-32.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020270868	1	46	-1.0	-42.19	378.39	9.64	-32.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020270869	0	43	-1.0	-45.35	356.24	9.10	-36.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020270869	1	43	-1.0	-45.37	356.30	9.13	-36.24
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020270870	0	53	-1.0	-43.99	415.32	9.49	-34.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020270870	1	53	-1.0	-44.03	415.38	9.51	-34.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020270871	0	50	-1.0	-48.45	393.77	8.89	-39.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020270871	1	50	-1.0	-48.43	393.72	8.88	-39.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C(OC)=C2)C1	REAL300020270872	0	48	-1.0	-45.24	400.59	6.34	-38.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C(OC)=C2)C1	REAL300020270872	1	48	-1.0	-45.21	400.65	6.37	-38.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020270873	0	42	-1.0	-39.42	352.06	6.82	-32.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020270873	1	42	-1.0	-39.46	352.11	6.84	-32.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020270874	0	39	-1.0	-42.02	330.09	6.23	-35.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020270874	1	39	-1.0	-42.03	330.15	6.24	-35.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020270875	0	46	-1.0	-42.00	378.75	9.07	-32.93
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020270875	1	46	-1.0	-41.95	378.78	9.06	-32.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020270876	0	45	-1.0	-41.49	349.25	7.95	-33.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020270876	1	45	-1.0	-41.55	349.31	7.96	-33.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020270877	0	42	-1.0	-41.37	331.54	6.99	-34.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020270877	1	42	-1.0	-41.32	331.60	7.01	-34.31
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020270878	0	49	-1.0	-43.72	377.60	9.91	-33.81
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020270878	1	49	-1.0	-43.71	377.63	9.92	-33.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020270879	0	55	-1.0	-41.17	406.65	9.51	-31.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020270879	1	55	-1.0	-41.23	406.71	9.53	-31.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020270880	0	52	-1.0	-43.19	396.70	9.06	-34.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020270880	1	52	-1.0	-43.18	396.75	9.08	-34.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020270881	0	46	-1.0	-45.87	397.42	11.20	-34.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020270881	1	46	-1.0	-45.86	397.36	11.19	-34.67
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020270882	0	43	-1.0	-48.17	375.85	10.43	-37.74
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020270882	1	43	-1.0	-48.18	375.80	10.39	-37.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020270883	0	39	-1.0	-40.72	314.79	5.87	-34.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020270883	1	39	-1.0	-40.74	314.85	5.89	-34.85
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1C	REAL300020270884	0	43	-1.0	-43.37	347.18	7.96	-35.41
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1C	REAL300020270884	1	43	-1.0	-43.38	347.20	7.96	-35.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020270885	0	46	-1.0	-42.27	390.84	10.09	-32.18
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020270885	1	46	-1.0	-42.34	390.90	10.10	-32.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020270886	0	43	-1.0	-43.64	369.37	9.31	-34.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020270886	1	43	-1.0	-43.65	369.42	9.33	-34.32
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270887	0	49	-1.0	-40.98	406.97	9.79	-31.19
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270887	1	49	-1.0	-41.01	407.03	9.80	-31.21
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270888	0	46	-1.0	-46.05	376.34	8.44	-37.61
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270888	1	46	-1.0	-46.04	376.28	8.41	-37.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020270889	0	46	-1.0	-44.58	384.10	10.36	-34.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020270889	1	46	-1.0	-44.55	384.04	10.35	-34.20
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020270890	0	43	-1.0	-46.44	367.34	9.73	-36.71
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020270890	1	43	-1.0	-46.41	367.29	9.71	-36.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020270891	0	54	-1.0	-38.69	394.61	8.40	-30.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020270891	1	54	-1.0	-38.64	394.67	8.42	-30.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020270892	0	51	-1.0	-43.68	352.24	6.60	-37.08
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020270892	1	51	-1.0	-43.69	352.29	6.63	-37.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCCCC1	REAL300020270893	0	58	-1.0	-42.39	406.26	9.22	-33.17
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCCCC1	REAL300020270893	1	58	-1.0	-42.39	405.60	9.22	-33.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020270894	0	46	-1.0	-40.07	360.17	8.02	-32.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020270894	1	46	-1.0	-40.09	360.22	8.04	-32.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020270895	0	43	-1.0	-44.15	333.01	7.30	-36.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020270895	1	43	-1.0	-44.16	333.07	7.33	-36.83
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020270896	0	50	-1.0	-43.25	377.10	9.88	-33.37
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020270896	1	50	-1.0	-43.26	377.13	9.87	-33.39
CCC1COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020270897	0	46	-1.0	-40.34	346.70	5.82	-34.52
CCC1COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020270897	1	46	-1.0	-40.34	346.75	5.83	-34.51
CCC1COCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020270898	0	43	-1.0	-43.32	337.51	4.89	-38.43
CCC1COCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020270898	1	43	-1.0	-43.34	337.57	4.92	-38.42
CCC1COCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020270899	0	50	-1.0	-42.17	382.79	8.46	-33.71
CCC1COCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020270899	1	50	-1.0	-42.10	382.82	8.45	-33.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020270900	0	55	-1.0	-39.49	395.67	10.10	-29.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020270900	1	55	-1.0	-39.48	395.73	10.12	-29.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020270901	0	52	-1.0	-42.44	369.76	9.14	-33.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020270901	1	52	-1.0	-42.45	369.81	9.16	-33.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020270902	0	51	-1.0	-53.23	396.91	5.41	-47.82
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020270902	1	51	-1.0	-53.22	396.97	5.43	-47.79
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020270903	0	48	-1.0	-58.03	363.65	4.79	-53.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020270903	1	48	-1.0	-58.01	363.71	4.80	-53.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCNS(=O)(=O)CC1	REAL300020270904	0	53	-1.0	-47.95	416.85	4.14	-43.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCNS(=O)(=O)CC1	REAL300020270904	1	53	-1.0	-47.96	416.91	4.17	-43.79
CC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CCO1	REAL300020270905	0	43	-1.0	-40.79	342.63	5.46	-35.33
CC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CCO1	REAL300020270905	1	43	-1.0	-40.79	342.69	5.47	-35.32
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CCO1	REAL300020270906	0	47	-1.0	-42.50	361.31	6.79	-35.71
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CCO1	REAL300020270906	1	47	-1.0	-42.45	361.33	6.79	-35.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020270907	0	46	-1.0	-42.87	382.03	9.70	-33.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020270907	1	46	-1.0	-42.91	382.09	9.71	-33.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020270908	0	43	-1.0	-44.48	360.56	8.91	-35.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020270908	1	43	-1.0	-44.45	360.62	8.94	-35.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020270909	0	50	-1.0	-40.18	378.33	9.41	-30.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020270909	1	50	-1.0	-40.16	378.39	9.43	-30.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020270910	0	47	-1.0	-44.29	352.93	8.71	-35.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020270910	1	47	-1.0	-44.27	352.88	8.68	-35.59
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020270911	0	54	-1.0	-42.00	405.55	11.24	-30.76
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020270911	1	54	-1.0	-41.95	405.57	11.22	-30.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(CCC(C)C)=NC=C2C1	REAL300020270912	0	56	-1.0	-40.32	447.62	8.86	-31.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(CCC(C)C)=NC=C2C1	REAL300020270912	1	56	-1.0	-40.30	447.68	8.88	-31.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(CCC(C)C)=NC=C2C1	REAL300020270913	0	53	-1.0	-42.96	421.76	8.30	-34.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(CCC(C)C)=NC=C2C1	REAL300020270913	1	53	-1.0	-43.01	421.82	8.32	-34.69
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020270914	0	53	-1.0	-47.35	423.94	9.28	-38.07
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270914	1	53	-1.0	-47.37	424.00	9.29	-38.08
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270915	0	50	-1.0	-49.86	406.15	8.61	-41.25
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270915	1	50	-1.0	-49.90	406.21	8.65	-41.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020270916	0	47	-1.0	-47.06	391.98	2.14	-44.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020270916	1	47	-1.0	-47.05	392.04	2.15	-44.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020270917	0	44	-1.0	-49.03	370.47	1.35	-47.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020270917	1	44	-1.0	-49.04	370.53	1.38	-47.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020270918	0	45	-1.0	-42.12	375.95	8.61	-33.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020270918	1	45	-1.0	-42.11	376.01	8.63	-33.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020270919	0	42	-1.0	-43.48	358.65	7.94	-35.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020270919	1	42	-1.0	-43.49	358.71	7.96	-35.53
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020270920	0	49	-1.0	-44.65	404.47	10.87	-33.78
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020270920	1	49	-1.0	-44.61	404.51	10.86	-33.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020270921	0	48	-1.0	-43.74	381.55	0.80	-42.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020270921	1	48	-1.0	-43.73	381.60	0.82	-42.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020270922	0	45	-1.0	-45.11	360.31	0.01	-45.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020270922	1	45	-1.0	-45.08	360.36	0.03	-45.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2Cl)C1	REAL300020270923	0	47	-1.0	-44.21	385.26	8.28	-35.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2Cl)C1	REAL300020270923	1	47	-1.0	-44.18	385.32	8.29	-35.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020270924	0	40	-1.0	-39.48	334.36	5.53	-33.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020270924	1	40	-1.0	-39.51	334.42	5.55	-33.96
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC[C@H]1C	REAL300020270925	0	44	-1.0	-41.69	362.36	7.48	-34.21
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC[C@H]1C	REAL300020270925	1	44	-1.0	-41.72	362.40	7.47	-34.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)C[C@@H](C(C)(C)C)C1	REAL300020270926	0	57	-1.0	-42.12	436.08	8.84	-33.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)C[C@@H](C(C)(C)C)C1	REAL300020270926	1	57	-1.0	-42.14	436.13	8.85	-33.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)C[C@@H](C(C)(C)C)C1	REAL300020270927	0	54	-1.0	-44.36	414.05	8.03	-36.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)C[C@@H](C(C)(C)C)C1	REAL300020270927	1	54	-1.0	-44.40	414.10	8.05	-36.35
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020270928	0	50	-1.0	-48.17	399.72	8.34	-39.83
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020270928	1	50	-1.0	-48.17	399.77	8.35	-39.82
C=CCCC1(C#N)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020270929	0	47	-1.0	-50.97	381.26	7.86	-43.11
C=CCCC1(C#N)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020270929	1	47	-1.0	-50.94	381.31	7.89	-43.05
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270930	0	49	-1.0	-41.10	397.06	9.10	-32.00
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270930	1	49	-1.0	-41.15	397.12	9.12	-32.03
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270931	0	46	-1.0	-44.77	374.45	8.24	-36.53
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270931	1	46	-1.0	-44.74	374.39	8.22	-36.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020270932	0	52	-1.0	-40.52	375.74	9.50	-31.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020270932	1	52	-1.0	-40.54	375.79	9.51	-31.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020270933	0	49	-1.0	-43.12	360.36	8.64	-34.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020270933	1	49	-1.0	-43.12	360.42	8.67	-34.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020270934	0	56	-1.0	-42.04	406.00	11.53	-30.51
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020270934	1	56	-1.0	-41.98	406.03	11.52	-30.46
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270935	0	46	-1.0	-40.86	382.06	8.49	-32.37
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270935	1	46	-1.0	-40.85	382.11	8.51	-32.34
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270936	0	43	-1.0	-43.80	359.44	7.63	-36.17
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270936	1	43	-1.0	-43.79	359.38	7.61	-36.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020270937	0	47	-1.0	-44.74	399.22	5.63	-39.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020270937	1	47	-1.0	-44.70	399.27	5.64	-39.06
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020270938	0	44	-1.0	-44.66	377.67	4.84	-39.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020270938	1	44	-1.0	-44.66	377.73	4.86	-39.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC(C)(C)C)C2(CCC2)C1	REAL300020270939	0	55	-1.0	-48.70	422.44	8.95	-39.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC(C)(C)C)C2(CCC2)C1	REAL300020270939	1	55	-1.0	-48.71	422.50	8.97	-39.74
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020270940	0	44	-1.0	-43.86	361.11	4.82	-39.04
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020270940	1	44	-1.0	-43.86	361.16	4.83	-39.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020270941	0	41	-1.0	-46.83	339.96	4.00	-42.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020270941	1	41	-1.0	-46.81	340.02	4.02	-42.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020270942	0	48	-1.0	-45.50	389.78	6.80	-38.70
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020270942	1	48	-1.0	-45.51	389.82	6.79	-38.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020270943	0	49	-1.0	-40.51	356.72	8.03	-32.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020270943	1	49	-1.0	-40.50	356.78	8.05	-32.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020270944	0	46	-1.0	-42.95	341.68	7.36	-35.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020270944	1	46	-1.0	-42.92	341.74	7.39	-35.53
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCCCC2C1	REAL300020270945	0	53	-1.0	-41.95	389.81	10.15	-31.80
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCCCC2C1	REAL300020270945	1	53	-1.0	-41.98	389.84	10.14	-31.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CCC(=O)OC)=CC=C2C1	REAL300020270946	0	52	-1.0	-46.61	419.13	9.00	-37.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CCC(=O)OC)=CC=C2C1	REAL300020270946	1	52	-1.0	-46.62	419.19	9.02	-37.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020270947	0	44	-1.0	-50.09	369.85	1.47	-48.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020270947	1	44	-1.0	-50.06	369.90	1.48	-48.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020270948	0	41	-1.0	-51.17	345.91	0.69	-50.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020270948	1	41	-1.0	-51.11	345.97	0.72	-50.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C2=CC=CC=C2)CC1	REAL300020270949	0	53	-1.0	-45.32	428.82	10.32	-35.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C2=CC=CC=C2)CC1	REAL300020270949	1	53	-1.0	-45.33	428.88	10.34	-34.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C2=CC=CC=C2)CC1	REAL300020270950	0	50	-1.0	-48.22	405.85	9.83	-38.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C2=CC=CC=C2)CC1	REAL300020270950	1	50	-1.0	-48.26	405.91	9.86	-38.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020270951	0	42	-1.0	-41.05	353.16	7.28	-33.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020270951	1	42	-1.0	-41.07	353.22	7.30	-33.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020270952	0	39	-1.0	-42.49	331.66	6.50	-35.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020270952	1	39	-1.0	-42.50	331.72	6.52	-35.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020270953	0	42	-1.0	-42.03	357.33	6.95	-35.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020270953	1	42	-1.0	-42.05	357.39	6.96	-35.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020270954	0	39	-1.0	-42.28	339.54	6.28	-36.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020270954	1	39	-1.0	-42.30	339.60	6.31	-35.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020270955	0	41	-1.0	-44.43	342.15	6.47	-37.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020270955	1	41	-1.0	-44.44	342.21	6.49	-37.95
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020270956	0	38	-1.0	-46.52	320.65	5.71	-40.81
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020270956	1	38	-1.0	-46.51	320.59	5.68	-40.83
CCN1C(NC2=NN3CCOCC3=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020270957	0	45	-1.0	-46.49	370.51	8.44	-38.05
CCN1C(NC2=NN3CCOCC3=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020270957	1	45	-1.0	-46.50	370.53	8.43	-38.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020270958	0	45	-1.0	-42.58	371.95	4.26	-38.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020270958	1	45	-1.0	-42.61	372.01	4.27	-38.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020270959	0	42	-1.0	-44.38	350.51	3.50	-40.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020270959	1	42	-1.0	-44.35	350.45	3.47	-40.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020270960	0	52	-1.0	-44.07	417.33	1.43	-42.64
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020270960	1	52	-1.0	-44.10	417.38	1.45	-42.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020270960	1	53	0.0	-67.14	414.70	3.61	-63.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020270961	0	49	-1.0	-46.28	395.80	0.61	-45.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020270961	1	49	-1.0	-46.25	395.86	0.63	-45.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020270961	1	50	0.0	-66.01	392.71	3.00	-63.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020270962	0	46	-1.0	-41.53	355.62	3.93	-37.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020270962	1	46	-1.0	-41.46	355.68	3.95	-37.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020270963	0	43	-1.0	-44.06	333.82	3.32	-40.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020270963	1	43	-1.0	-44.05	333.88	3.34	-40.71
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020270964	0	50	-1.0	-43.34	385.52	6.04	-37.30
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020270964	1	50	-1.0	-43.33	385.56	6.03	-37.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020270965	0	50	-1.0	-48.85	377.91	8.08	-40.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020270965	1	50	-1.0	-48.82	377.96	8.10	-40.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020270966	0	47	-1.0	-45.98	343.25	6.92	-39.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020270966	1	47	-1.0	-45.97	343.31	6.95	-39.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020270967	0	46	-1.0	-46.16	359.21	2.87	-43.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020270967	1	46	-1.0	-46.14	359.26	2.88	-43.26
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020270968	0	43	-1.0	-49.85	339.67	2.41	-47.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020270968	1	43	-1.0	-49.83	339.61	2.39	-47.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020270969	0	50	-1.0	-55.27	377.84	4.48	-50.79
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020270969	1	50	-1.0	-55.25	377.85	4.47	-50.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020270970	0	49	-1.0	-40.87	406.08	9.74	-31.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020270970	1	49	-1.0	-40.87	406.14	9.75	-31.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020270971	0	46	-1.0	-42.28	384.66	8.93	-33.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020270971	1	46	-1.0	-42.28	384.71	8.96	-33.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020270972	0	43	-1.0	-40.48	345.42	5.07	-35.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020270972	1	43	-1.0	-40.46	345.48	5.09	-35.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020270973	0	47	-1.0	-43.37	373.39	7.32	-36.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020270973	1	47	-1.0	-43.30	373.42	7.32	-35.98
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270974	0	41	-1.0	-42.08	333.55	6.70	-35.38
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270974	1	41	-1.0	-42.07	333.61	6.71	-35.36
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020270975	0	45	-1.0	-43.73	365.15	8.63	-35.10
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020270975	1	45	-1.0	-43.73	365.19	8.63	-35.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020270976	0	47	-1.0	-42.12	396.11	7.31	-34.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020270976	1	47	-1.0	-42.09	396.16	7.32	-34.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020270977	0	44	-1.0	-44.14	363.40	6.16	-37.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020270977	1	44	-1.0	-44.16	363.46	6.19	-37.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020270978	0	45	-1.0	-42.48	385.67	8.75	-33.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020270978	1	45	-1.0	-42.52	385.73	8.76	-33.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020270979	0	42	-1.0	-44.44	364.11	7.98	-36.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020270979	1	42	-1.0	-44.45	364.16	7.99	-36.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020270980	0	49	-1.0	-44.07	385.44	5.16	-38.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020270980	1	49	-1.0	-44.07	385.50	5.18	-38.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020270981	0	46	-1.0	-48.50	363.64	4.55	-43.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020270981	1	46	-1.0	-48.51	363.70	4.57	-43.94
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020270982	0	53	-1.0	-46.43	415.39	7.26	-39.17
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020270982	1	53	-1.0	-46.48	415.38	7.26	-39.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020270983	0	47	-1.0	-44.16	377.03	3.08	-41.08
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020270983	1	47	-1.0	-44.11	377.09	3.09	-41.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020270984	0	44	-1.0	-51.91	355.07	2.59	-49.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020270984	1	44	-1.0	-51.91	355.13	2.61	-49.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020270985	0	41	-1.0	-39.16	378.51	7.11	-32.05
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020270985	1	41	-1.0	-39.16	378.57	7.13	-32.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020270986	0	38	-1.0	-41.89	350.25	5.92	-35.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020270986	1	38	-1.0	-41.88	350.35	5.93	-35.95
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020270987	0	46	-1.0	-40.85	387.74	8.67	-32.18
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020270987	1	46	-1.0	-40.87	387.79	8.69	-32.18
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020270988	0	43	-1.0	-42.73	359.45	7.63	-35.10
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020270988	1	43	-1.0	-42.71	359.39	7.61	-35.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020270989	0	50	-1.0	-42.63	386.21	3.51	-39.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020270989	1	50	-1.0	-42.64	386.27	3.52	-39.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020270990	0	47	-1.0	-43.43	361.12	2.30	-41.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020270990	1	47	-1.0	-43.47	361.17	2.31	-41.16
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020270991	0	54	-1.0	-43.52	409.92	5.02	-38.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020270991	1	54	-1.0	-43.46	409.94	5.00	-38.46
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020270992	0	51	0.0	-62.34	403.91	6.61	-55.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020270992	1	51	0.0	-62.31	403.87	6.60	-55.71
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020270993	0	48	0.0	-62.84	382.16	6.00	-56.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020270993	1	48	0.0	-62.85	382.10	5.99	-56.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020270994	0	46	-1.0	-41.48	359.08	8.51	-32.97
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020270994	1	46	-1.0	-41.49	359.14	8.53	-32.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020270995	0	43	-1.0	-42.04	350.14	7.55	-34.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020270995	1	43	-1.0	-42.07	350.20	7.57	-34.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020270996	0	50	-1.0	-43.07	403.35	6.93	-36.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020270996	1	50	-1.0	-43.05	403.40	6.94	-36.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020270997	0	47	-1.0	-45.80	382.94	5.95	-39.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020270997	1	47	-1.0	-45.76	383.00	5.98	-39.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020270998	0	52	-1.0	-41.65	389.17	5.14	-36.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020270998	1	52	-1.0	-41.67	389.23	5.15	-36.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020270999	0	49	-1.0	-43.16	367.67	4.35	-38.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020270999	1	49	-1.0	-43.14	367.73	4.38	-38.76
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020271000	0	56	-1.0	-42.74	422.61	6.94	-35.80
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020271000	1	56	-1.0	-42.75	422.67	6.93	-35.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020271001	0	53	-1.0	-42.42	412.87	7.28	-35.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020271001	1	53	-1.0	-42.45	412.93	7.30	-35.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020271002	0	50	-1.0	-44.43	395.11	6.62	-37.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020271002	1	50	-1.0	-44.45	395.17	6.64	-37.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020271003	0	45	-1.0	-43.30	363.38	2.95	-40.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020271003	1	45	-1.0	-43.32	363.44	2.97	-40.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020271004	0	42	-1.0	-44.03	342.80	2.21	-41.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020271004	1	42	-1.0	-44.01	342.86	2.23	-41.78
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020271005	0	49	-1.0	-46.23	393.97	4.80	-41.43
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020271005	1	49	-1.0	-46.15	393.99	4.79	-41.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020271006	0	50	-1.0	-42.04	397.76	10.28	-31.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020271006	1	50	-1.0	-41.99	397.82	10.29	-31.70
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020271007	0	47	-1.0	-44.17	380.58	9.63	-34.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020271007	1	47	-1.0	-44.14	380.63	9.64	-34.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020271008	0	49	-1.0	-42.13	400.26	9.77	-32.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020271008	1	49	-1.0	-42.13	400.31	9.79	-32.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020271009	0	46	-1.0	-44.25	379.08	8.97	-35.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020271009	1	46	-1.0	-44.25	379.14	8.98	-35.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC(C)(C)C)C1	REAL300020271010	0	55	-1.0	-45.15	428.19	7.89	-37.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC(C)(C)C)C1	REAL300020271010	1	55	-1.0	-45.16	428.25	7.91	-37.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC(C)(C)C)C1	REAL300020271011	0	52	-1.0	-48.47	407.83	7.08	-41.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC(C)(C)C)C1	REAL300020271011	1	52	-1.0	-48.46	407.89	7.12	-41.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NC(=O)CC(F)(F)F)C1	REAL300020271012	0	46	-1.0	-49.97	377.50	4.48	-45.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NC(=O)CC(F)(F)F)C1	REAL300020271012	1	46	-1.0	-49.96	377.56	4.50	-45.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020271013	0	40	-1.0	-42.15	331.17	6.71	-35.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020271013	1	40	-1.0	-42.13	331.23	6.73	-35.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020271014	0	37	-1.0	-43.79	310.40	5.97	-37.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020271014	1	37	-1.0	-43.76	310.45	5.99	-37.77
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020271015	0	44	-1.0	-43.18	363.56	9.12	-34.06
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020271015	1	44	-1.0	-43.15	363.62	9.11	-34.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020271016	0	44	-1.0	-40.32	346.68	5.72	-34.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020271016	1	44	-1.0	-40.30	346.74	5.74	-34.56
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020271017	0	41	-1.0	-41.88	328.84	5.09	-36.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020271017	1	41	-1.0	-41.87	328.90	5.12	-36.75
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020271018	0	48	-1.0	-42.56	378.15	8.02	-34.54
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020271018	1	48	-1.0	-42.48	378.19	8.01	-34.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020271019	0	48	-1.0	-52.34	378.94	3.77	-48.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020271019	1	48	-1.0	-52.35	379.00	3.78	-48.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020271020	0	45	-1.0	-54.66	356.06	3.12	-51.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020271020	1	45	-1.0	-54.64	356.13	3.13	-51.51
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020271021	0	52	-1.0	-40.57	372.93	8.63	-31.94
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020271021	1	52	-1.0	-40.57	372.98	8.65	-31.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020271022	0	49	-1.0	-43.49	350.84	8.09	-35.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020271022	1	49	-1.0	-43.49	350.90	8.12	-35.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCCCCC2C1	REAL300020271023	0	56	-1.0	-42.00	406.05	10.75	-31.25
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCCCCC2C1	REAL300020271023	1	56	-1.0	-42.00	406.17	10.74	-31.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020271024	0	47	-1.0	-41.50	361.43	7.72	-33.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020271024	1	47	-1.0	-41.50	361.49	7.74	-33.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020271025	0	44	-1.0	-43.05	334.39	7.04	-36.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020271025	1	44	-1.0	-43.09	334.45	7.06	-36.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020271026	0	51	-1.0	-43.54	389.02	9.70	-33.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020271026	1	51	-1.0	-43.48	389.04	9.70	-33.78
CCCCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020271027	0	57	-1.0	-39.80	440.65	10.70	-29.10
CCCCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020271027	1	57	-1.0	-39.78	440.71	10.72	-29.06
CCCCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020271028	0	54	-1.0	-43.89	405.11	9.25	-34.64
CCCCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020271028	1	54	-1.0	-43.85	405.16	9.27	-34.58
CCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020271029	0	51	-1.0	-39.81	397.65	9.14	-30.67
CCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020271029	1	51	-1.0	-39.81	397.71	9.16	-30.65
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020271030	0	48	-1.0	-43.85	362.11	7.69	-36.16
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020271030	1	48	-1.0	-43.88	362.17	7.71	-36.17
CCCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020271031	0	55	-1.0	-42.87	414.47	11.01	-31.86
CCCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020271031	1	55	-1.0	-42.81	414.46	11.01	-31.80
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020271032	0	54	-1.0	-42.19	413.06	8.05	-34.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020271032	1	54	-1.0	-42.18	413.12	8.07	-34.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020271033	0	51	-1.0	-45.28	391.22	7.44	-37.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020271033	1	51	-1.0	-45.24	391.28	7.46	-37.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC1=CC=CC=C12	REAL300020271034	0	49	-1.0	-54.36	397.00	6.25	-48.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC1=CC=CC=C12	REAL300020271034	1	49	-1.0	-54.36	397.06	6.28	-48.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020271035	0	52	-1.0	-47.01	409.20	7.17	-39.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020271035	1	52	-1.0	-47.03	409.26	7.19	-39.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020271036	0	49	-1.0	-49.74	388.46	6.19	-43.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020271036	1	49	-1.0	-49.74	388.52	6.21	-43.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020271037	0	48	-1.0	-39.84	379.15	6.92	-32.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020271037	1	48	-1.0	-39.82	379.21	6.94	-32.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020271038	0	45	-1.0	-42.17	357.03	6.34	-35.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020271038	1	45	-1.0	-42.16	357.09	6.36	-35.80
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020271039	0	52	-1.0	-41.82	407.07	9.10	-32.72
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020271039	1	52	-1.0	-41.80	407.11	9.09	-32.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2C(=O)OC)CC1	REAL300020271040	0	55	-1.0	-45.19	425.07	9.05	-36.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2C(=O)OC)CC1	REAL300020271040	1	55	-1.0	-45.23	425.13	9.07	-36.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020271041	0	51	-1.0	-43.15	399.40	2.86	-40.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020271041	1	51	-1.0	-43.12	399.46	2.87	-40.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020271042	0	48	-1.0	-45.07	381.56	2.19	-42.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020271042	1	48	-1.0	-45.04	381.62	2.21	-42.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020271043	0	47	-1.0	-42.75	374.24	6.77	-35.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020271043	1	47	-1.0	-42.75	374.29	6.79	-35.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020271044	0	44	-1.0	-45.55	347.18	6.08	-39.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020271044	1	44	-1.0	-45.53	347.24	6.10	-39.43
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020271045	0	51	-1.0	-43.21	400.96	8.86	-34.35
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020271045	1	51	-1.0	-43.15	400.99	8.85	-34.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020271046	0	49	-1.0	-45.80	406.83	7.42	-38.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020271046	1	49	-1.0	-45.82	406.89	7.43	-38.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020271047	0	46	-1.0	-47.81	388.97	6.75	-41.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020271047	1	46	-1.0	-47.82	389.02	6.78	-41.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC(CC(=O)OC)CCC2C1	REAL300020271048	0	55	-1.0	-44.98	412.47	8.93	-36.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC(CC(=O)OC)CCC2C1	REAL300020271048	1	55	-1.0	-44.93	412.53	8.94	-35.99
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC)C1	REAL300020271049	0	42	-1.0	-42.64	333.22	6.64	-36.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC)C1	REAL300020271049	1	42	-1.0	-42.65	333.28	6.65	-36.00
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(CC)C1	REAL300020271050	0	46	-1.0	-44.43	364.50	8.79	-35.64
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(CC)C1	REAL300020271050	1	46	-1.0	-44.41	364.52	8.79	-35.62
CCOC1(OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1	REAL300020271051	0	53	-1.0	-40.77	408.33	7.09	-33.68
CCOC1(OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1	REAL300020271051	1	53	-1.0	-40.79	408.39	7.11	-33.68
CCOC1(OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1	REAL300020271052	0	50	-1.0	-42.91	386.16	6.29	-36.62
CCOC1(OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1	REAL300020271052	1	50	-1.0	-42.89	386.23	6.32	-36.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2(C(=O)OC)CCC2)CC1	REAL300020271053	0	53	-1.0	-43.57	417.63	8.19	-35.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2(C(=O)OC)CCC2)CC1	REAL300020271053	1	53	-1.0	-43.56	417.68	8.20	-35.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2(C(=O)OC)CCC2)CC1	REAL300020271054	0	50	-1.0	-44.91	392.56	7.45	-37.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2(C(=O)OC)CCC2)CC1	REAL300020271054	1	50	-1.0	-44.92	392.64	7.46	-37.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2(C(=O)OC)CCC2)CC1	REAL300020271055	0	55	-1.0	-43.13	422.11	9.22	-33.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2(C(=O)OC)CCC2)CC1	REAL300020271055	1	55	-1.0	-43.18	422.17	9.24	-33.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C(=O)OC)CCC2)CC1	REAL300020271056	0	52	-1.0	-44.96	402.05	8.34	-36.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C(=O)OC)CCC2)CC1	REAL300020271056	1	52	-1.0	-45.00	402.11	8.35	-36.65
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020271057	0	40	-1.0	-40.47	322.33	6.69	-33.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020271057	1	40	-1.0	-40.42	322.39	6.70	-33.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020271058	0	37	-1.0	-44.76	296.11	5.88	-38.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020271058	1	37	-1.0	-44.78	296.16	5.91	-38.87
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020271059	0	44	-1.0	-42.48	355.41	8.82	-33.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020271059	1	44	-1.0	-42.48	355.46	8.81	-33.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020271060	0	44	-1.0	-40.32	348.64	5.20	-35.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020271060	1	44	-1.0	-40.31	348.69	5.22	-35.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020271061	0	41	-1.0	-42.89	330.75	4.53	-38.36
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020271061	1	41	-1.0	-42.88	330.82	4.55	-38.33
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020271062	0	48	-1.0	-42.69	380.53	7.33	-35.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020271062	1	48	-1.0	-42.67	380.57	7.33	-35.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020271063	0	46	-1.0	-45.11	377.30	5.95	-39.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020271063	1	46	-1.0	-45.14	377.36	5.97	-39.17
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020271064	0	43	-1.0	-45.25	356.42	4.95	-40.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020271064	1	43	-1.0	-45.28	356.48	4.98	-40.30
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020271065	0	50	-1.0	-46.59	404.95	7.73	-38.86
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020271065	1	50	-1.0	-46.56	404.99	7.72	-38.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020271066	0	52	-1.0	-41.15	405.76	7.29	-33.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020271066	1	52	-1.0	-41.21	405.81	7.30	-33.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020271067	0	49	-1.0	-45.18	376.72	6.57	-38.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020271067	1	49	-1.0	-45.19	376.77	6.60	-38.59
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020271068	0	56	-1.0	-42.98	430.39	9.22	-33.76
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020271068	1	56	-1.0	-42.98	430.43	9.21	-33.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020271069	0	52	-1.0	-41.71	394.26	7.11	-34.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020271069	1	52	-1.0	-41.72	394.32	7.13	-34.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020271070	0	49	-1.0	-45.28	377.69	6.54	-38.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020271070	1	49	-1.0	-45.26	377.75	6.57	-38.69
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020271071	0	56	-1.0	-43.46	431.53	9.45	-34.01
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020271071	1	56	-1.0	-43.49	431.55	9.44	-34.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020271072	0	52	-1.0	-41.79	406.68	7.43	-34.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020271072	1	52	-1.0	-41.74	406.73	7.45	-34.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020271073	0	49	-1.0	-43.92	380.81	6.70	-37.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020271073	1	49	-1.0	-43.94	380.86	6.71	-37.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020271074	0	43	-1.0	-43.35	354.93	6.79	-36.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020271074	1	43	-1.0	-43.36	354.99	6.81	-36.55
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020271075	0	40	-1.0	-43.95	335.88	6.16	-37.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020271075	1	40	-1.0	-43.96	335.94	6.18	-37.78
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020271076	0	47	-1.0	-45.67	382.59	8.74	-36.93
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020271076	1	47	-1.0	-45.66	382.60	8.73	-36.93
CCC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC)C=C1	REAL300020271077	0	45	-1.0	-42.18	364.20	9.48	-32.70
CCC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC)C=C1	REAL300020271077	1	45	-1.0	-42.13	364.26	9.50	-32.63
CCC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC)C=C1	REAL300020271078	0	42	-1.0	-47.58	350.05	8.98	-38.60
CCC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC)C=C1	REAL300020271078	1	42	-1.0	-47.57	349.99	8.96	-38.61
CCC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C=C1	REAL300020271079	0	49	-1.0	-43.84	399.27	11.64	-32.20
CCC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C=C1	REAL300020271079	1	49	-1.0	-43.75	399.31	11.63	-32.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020271080	0	45	-1.0	-43.51	373.08	7.44	-36.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020271080	1	45	-1.0	-43.51	373.13	7.45	-36.06
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020271081	0	42	-1.0	-44.72	343.98	6.63	-38.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020271081	1	42	-1.0	-44.72	343.91	6.61	-38.11
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020271082	0	47	-1.0	-44.69	388.45	9.38	-35.31
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020271082	1	47	-1.0	-44.67	388.50	9.39	-35.28
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020271083	0	44	-1.0	-47.25	376.60	8.58	-38.67
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020271083	1	44	-1.0	-47.29	376.66	8.61	-38.68
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020271084	0	47	-1.0	-44.06	403.84	9.57	-34.49
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020271084	1	47	-1.0	-44.05	403.90	9.58	-34.47
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020271085	0	44	-1.0	-45.13	386.68	8.31	-36.82
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020271085	1	44	-1.0	-45.14	386.74	8.32	-36.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020271086	0	51	-1.0	-41.42	405.86	8.30	-33.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020271086	1	51	-1.0	-41.45	405.92	8.32	-33.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020271087	0	48	-1.0	-45.85	384.40	7.72	-38.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020271087	1	48	-1.0	-45.91	384.46	7.75	-38.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020271088	0	42	-1.0	-40.52	361.12	7.35	-33.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020271088	1	42	-1.0	-40.48	361.17	7.37	-33.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020271089	0	39	-1.0	-41.10	336.67	6.45	-34.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020271089	1	39	-1.0	-41.09	336.72	6.48	-34.61
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COCCOC)C1	REAL300020271090	0	51	-1.0	-43.79	397.41	3.45	-40.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COCCOC)C1	REAL300020271090	1	51	-1.0	-43.78	397.46	3.47	-40.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COCCOC)C1	REAL300020271091	0	48	-1.0	-44.19	395.10	3.50	-40.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COCCOC)C1	REAL300020271091	1	48	-1.0	-44.16	395.15	3.52	-40.64
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020271092	0	50	-1.0	-43.42	409.02	9.19	-34.23
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020271092	1	50	-1.0	-43.38	409.08	9.20	-34.18
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020271093	0	47	-1.0	-45.87	381.03	8.39	-37.48
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020271093	1	47	-1.0	-45.86	381.09	8.41	-37.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020271094	0	46	-1.0	-42.64	377.11	3.43	-39.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020271094	1	46	-1.0	-42.63	377.16	3.44	-39.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020271095	0	43	-1.0	-46.31	355.70	2.88	-43.43
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020271095	1	43	-1.0	-46.30	355.75	2.91	-43.39
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020271096	0	50	-1.0	-47.20	398.18	5.62	-41.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020271096	1	50	-1.0	-47.20	398.22	5.61	-41.59
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020271097	0	42	-1.0	-40.24	358.62	7.73	-32.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020271097	1	42	-1.0	-40.24	358.67	7.74	-32.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020271098	0	39	-1.0	-42.48	337.17	6.97	-35.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020271098	1	39	-1.0	-42.47	337.11	6.93	-35.54
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020271099	0	46	-1.0	-41.81	392.32	9.92	-31.89
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020271099	1	46	-1.0	-41.80	392.35	9.91	-31.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020271100	0	47	-1.0	-44.58	375.75	6.79	-37.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020271100	1	47	-1.0	-44.54	375.81	6.80	-37.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020271101	0	44	-1.0	-46.73	350.34	6.06	-40.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020271101	1	44	-1.0	-46.70	350.28	6.05	-40.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020271102	0	50	-1.0	-47.75	407.36	8.18	-39.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020271102	1	50	-1.0	-47.67	407.41	8.20	-39.47
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020271103	0	46	-1.0	-41.30	381.07	7.06	-34.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020271103	1	46	-1.0	-41.30	381.13	7.07	-34.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020271104	0	43	-1.0	-43.03	359.30	6.36	-36.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020271104	1	43	-1.0	-43.02	359.24	6.34	-36.68
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020271105	0	50	-1.0	-43.37	401.91	9.15	-34.22
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020271105	1	50	-1.0	-43.33	401.95	9.14	-34.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Br)=C1	REAL300020271106	0	39	-1.0	-42.04	353.07	7.69	-34.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Br)=C1	REAL300020271106	1	39	-1.0	-42.05	353.13	7.71	-34.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020271107	0	45	-1.0	-41.36	360.97	7.60	-33.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020271107	1	45	-1.0	-41.36	361.02	7.61	-33.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020271108	0	42	-1.0	-44.80	339.27	6.99	-37.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020271108	1	42	-1.0	-44.84	339.33	7.01	-37.83
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020271109	0	49	-1.0	-44.94	381.38	9.58	-35.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020271109	1	49	-1.0	-44.92	381.41	9.57	-35.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CS(=O)(=O)N(C)C)CC1	REAL300020271110	0	51	-1.0	-52.45	411.70	1.68	-50.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CS(=O)(=O)N(C)C)CC1	REAL300020271110	1	51	-1.0	-52.47	411.76	1.70	-50.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(Cl)C=C2)CC1	REAL300020271111	0	47	-1.0	-45.07	393.55	6.32	-38.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(Cl)C=C2)CC1	REAL300020271111	1	47	-1.0	-45.08	393.61	6.35	-38.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020271112	0	55	-1.0	-41.81	427.08	7.91	-33.90
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020271112	1	55	-1.0	-41.82	427.13	7.92	-33.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020271113	0	52	-1.0	-44.18	407.12	7.13	-37.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020271113	1	52	-1.0	-44.17	407.17	7.15	-37.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC(OC)=C2F)C1	REAL300020271114	0	50	-1.0	-45.69	405.44	8.32	-37.37
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC(OC)=C2F)C1	REAL300020271114	1	50	-1.0	-45.74	405.50	8.35	-37.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C(OC)=C2)C1	REAL300020271115	0	50	-1.0	-45.18	407.39	8.17	-37.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C(OC)=C2)C1	REAL300020271115	1	50	-1.0	-45.21	407.45	8.19	-37.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CCC(C)(C)O)=CC=C2C1	REAL300020271116	0	56	-1.0	-45.51	433.56	7.00	-38.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CCC(C)(C)O)=CC=C2C1	REAL300020271116	1	56	-1.0	-45.55	433.62	7.02	-38.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020271117	0	44	-1.0	-45.12	361.35	4.45	-40.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020271117	1	44	-1.0	-45.14	361.40	4.47	-40.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020271118	0	41	-1.0	-48.38	338.47	3.69	-44.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020271118	1	41	-1.0	-48.47	338.48	3.69	-44.78
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020271119	0	43	-1.0	-40.84	340.90	7.47	-33.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020271119	1	43	-1.0	-40.83	340.96	7.49	-33.34
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020271120	0	47	-1.0	-42.53	371.00	9.50	-33.03
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020271120	1	47	-1.0	-42.51	371.02	9.49	-33.02
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020271121	0	46	-1.0	-40.68	368.50	5.81	-34.87
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020271121	1	46	-1.0	-40.66	368.56	5.82	-34.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020271122	0	43	-1.0	-43.59	347.04	5.02	-38.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020271122	1	43	-1.0	-43.61	347.10	5.04	-38.57
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020271123	0	50	-1.0	-43.91	387.83	7.84	-36.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020271123	1	50	-1.0	-43.86	387.87	7.85	-36.01
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020271124	0	44	-1.0	-49.14	370.05	7.30	-41.84
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020271124	1	44	-1.0	-49.15	370.10	7.32	-41.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020271125	0	41	-1.0	-51.30	348.24	6.69	-44.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020271125	1	41	-1.0	-51.28	348.30	6.71	-44.57
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020271126	0	48	-1.0	-52.27	390.28	9.28	-42.99
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020271126	1	48	-1.0	-52.13	390.27	9.28	-42.85
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020271127	0	49	-1.0	-39.47	365.83	8.36	-31.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020271127	1	49	-1.0	-39.46	365.88	8.38	-31.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020271128	0	46	-1.0	-42.55	340.04	7.64	-34.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020271128	1	46	-1.0	-42.55	340.10	7.66	-34.89
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020271129	0	53	-1.0	-41.26	392.28	10.31	-30.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020271129	1	53	-1.0	-41.20	392.45	10.31	-30.89
CCOC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CC1(C)C(F)F	REAL300020271130	0	51	-1.0	-47.27	404.99	7.92	-39.35
CCOC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CC1(C)C(F)F	REAL300020271130	1	51	-1.0	-47.27	405.05	7.94	-39.33
CCOC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC)CC1(C)C(F)F	REAL300020271131	0	48	-1.0	-51.88	387.42	7.37	-44.51
CCOC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC)CC1(C)C(F)F	REAL300020271131	1	48	-1.0	-51.88	387.47	7.38	-44.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020271132	0	42	-1.0	-45.28	339.33	6.02	-39.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020271132	1	42	-1.0	-45.25	339.38	6.03	-39.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020271133	0	39	-1.0	-44.55	327.32	5.48	-39.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020271133	1	39	-1.0	-44.60	327.38	5.49	-39.11
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020271134	0	46	-1.0	-46.73	372.55	8.15	-38.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020271134	1	46	-1.0	-46.80	372.60	8.14	-38.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020271135	0	42	-1.0	-45.28	339.33	6.02	-39.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020271135	1	42	-1.0	-45.25	339.38	6.03	-39.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020271136	0	39	-1.0	-44.55	327.32	5.48	-39.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020271136	1	39	-1.0	-44.60	327.38	5.49	-39.11
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020271137	0	46	-1.0	-46.73	372.55	8.15	-38.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020271137	1	46	-1.0	-46.80	372.60	8.14	-38.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1C	REAL300020271138	0	51	-1.0	-42.80	408.20	5.27	-37.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1C	REAL300020271138	1	51	-1.0	-42.81	408.25	5.28	-37.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1C	REAL300020271139	0	48	-1.0	-45.93	380.88	4.47	-41.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1C	REAL300020271139	1	48	-1.0	-45.94	380.93	4.48	-41.46
CCOC(=O)C1=NN(C)C2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC)CC2	REAL300020271140	0	49	-1.0	-49.44	411.00	6.71	-42.73
CCOC(=O)C1=NN(C)C2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC)CC2	REAL300020271140	1	49	-1.0	-49.44	411.05	6.73	-42.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020271141	0	44	-1.0	-41.52	349.71	3.27	-38.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020271141	1	44	-1.0	-41.51	349.77	3.29	-38.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020271142	0	41	-1.0	-42.09	328.25	2.51	-39.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020271142	1	41	-1.0	-42.10	328.20	2.49	-39.61
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020271143	0	48	-1.0	-43.92	378.23	5.21	-38.71
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020271143	1	48	-1.0	-43.90	378.28	5.20	-38.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020271144	0	39	-1.0	-38.86	324.17	5.30	-33.56
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020271144	1	39	-1.0	-38.88	324.22	5.32	-33.56
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(F)(F)CC1C	REAL300020271145	0	43	-1.0	-41.82	352.97	8.44	-33.38
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(F)(F)CC1C	REAL300020271145	1	43	-1.0	-41.74	353.01	8.43	-33.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020271146	0	45	-1.0	-42.01	368.11	7.22	-34.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020271146	1	45	-1.0	-42.00	368.17	7.23	-34.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020271147	0	42	-1.0	-44.30	346.27	6.60	-37.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020271147	1	42	-1.0	-44.27	346.33	6.62	-37.65
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020271148	0	49	-1.0	-43.99	398.75	9.33	-34.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020271148	1	49	-1.0	-43.98	398.79	9.32	-34.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020271149	0	50	-1.0	-41.37	399.34	6.14	-35.23
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020271149	1	50	-1.0	-41.31	399.40	6.16	-35.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020271150	0	47	-1.0	-43.59	377.87	5.88	-37.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020271150	1	47	-1.0	-43.55	377.81	5.86	-37.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020271151	0	49	-1.0	-43.81	373.06	3.67	-40.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020271151	1	49	-1.0	-43.80	373.12	3.69	-40.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020271152	0	46	-1.0	-52.37	353.68	3.07	-49.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020271152	1	46	-1.0	-52.40	353.73	3.09	-49.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020271153	0	44	-1.0	-42.12	379.64	8.49	-33.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020271153	1	44	-1.0	-42.15	379.70	8.51	-33.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020271154	0	41	-1.0	-44.01	354.45	7.73	-36.28
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020271154	1	41	-1.0	-44.01	354.51	7.74	-36.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020271155	0	50	-1.0	-42.02	389.99	5.21	-36.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020271155	1	50	-1.0	-42.05	390.05	5.23	-36.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020271156	0	47	-1.0	-44.44	369.63	4.40	-40.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020271156	1	47	-1.0	-44.47	369.69	4.44	-40.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020271157	0	54	-1.0	-44.88	411.08	7.12	-37.76
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020271157	1	54	-1.0	-44.85	411.11	7.11	-37.74
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1C	REAL300020271158	0	50	-1.0	-44.99	394.25	8.07	-36.92
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1C	REAL300020271158	1	50	-1.0	-44.94	394.31	8.10	-36.84
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020271159	0	48	-1.0	-40.68	369.81	7.19	-33.49
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020271159	1	48	-1.0	-40.67	369.87	7.20	-33.47
CCCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020271160	0	45	-1.0	-44.85	347.56	6.68	-38.17
CCCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020271160	1	45	-1.0	-44.86	347.63	6.69	-38.17
CCCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020271161	0	52	-1.0	-42.23	402.27	9.36	-32.87
CCCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020271161	1	52	-1.0	-42.22	402.31	9.35	-32.87
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020271162	0	50	-1.0	-46.97	393.13	6.54	-40.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020271162	1	50	-1.0	-47.01	393.19	6.55	-40.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020271163	0	47	-1.0	-45.53	373.46	5.83	-39.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020271163	1	47	-1.0	-45.56	373.51	5.85	-39.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020271164	0	44	-1.0	-41.20	336.13	7.93	-33.27
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020271164	1	44	-1.0	-41.21	336.19	7.94	-33.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020271165	0	41	-1.0	-44.92	293.85	6.21	-38.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020271165	1	41	-1.0	-44.93	293.79	6.18	-38.75
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020271166	0	48	-1.0	-42.84	364.45	9.89	-32.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020271166	1	48	-1.0	-42.84	364.48	9.88	-32.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020271167	0	49	-1.0	-41.28	404.32	8.17	-33.11
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020271167	1	49	-1.0	-41.25	404.38	8.18	-33.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020271168	0	46	-1.0	-42.24	378.89	7.71	-34.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020271168	1	46	-1.0	-42.30	378.95	7.72	-34.58
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020271169	0	50	-1.0	-40.59	405.54	10.42	-30.17
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020271169	1	50	-1.0	-40.61	405.59	10.43	-30.18
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020271170	0	47	-1.0	-43.02	384.05	9.63	-33.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020271170	1	47	-1.0	-43.07	384.10	9.66	-33.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020271171	0	51	-1.0	-47.67	408.03	8.06	-39.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020271171	1	51	-1.0	-47.71	408.09	8.07	-39.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020271172	0	48	-1.0	-50.17	390.05	7.18	-42.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020271172	1	48	-1.0	-50.17	390.11	7.21	-42.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020271173	0	44	-1.0	-47.55	359.69	2.01	-45.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020271173	1	44	-1.0	-47.54	359.74	2.03	-45.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020271174	0	41	-1.0	-52.19	337.57	1.47	-50.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020271174	1	41	-1.0	-52.19	337.63	1.50	-50.69
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020271175	0	48	-1.0	-48.99	392.55	4.15	-44.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020271175	1	48	-1.0	-48.95	392.58	4.14	-44.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020271176	0	44	-1.0	-45.51	352.91	9.25	-36.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020271176	1	44	-1.0	-45.48	352.97	9.26	-36.22
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020271177	0	41	-1.0	-48.67	327.16	8.52	-40.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020271177	1	41	-1.0	-48.66	327.10	8.50	-40.16
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020271178	0	48	-1.0	-47.50	381.42	11.23	-36.27
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020271178	1	48	-1.0	-47.50	381.46	11.22	-36.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020271179	0	45	-1.0	-44.50	359.04	6.70	-37.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020271179	1	45	-1.0	-44.54	359.09	6.71	-37.83
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020271180	0	42	-1.0	-47.90	342.54	6.06	-41.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020271180	1	42	-1.0	-47.90	342.60	6.08	-41.82
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020271181	0	49	-1.0	-46.36	392.26	8.81	-37.55
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020271181	1	49	-1.0	-46.34	392.31	8.81	-37.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020271182	0	39	-1.0	-39.86	315.59	5.80	-34.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020271182	1	39	-1.0	-39.83	315.65	5.82	-34.01
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020271183	0	43	-1.0	-42.09	347.89	7.91	-34.18
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020271183	1	43	-1.0	-42.07	347.91	7.91	-34.16
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020271184	0	48	-1.0	-40.94	369.39	7.28	-33.66
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020271184	1	48	-1.0	-40.93	369.45	7.29	-33.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020271185	0	45	-1.0	-44.64	347.56	6.66	-37.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020271185	1	45	-1.0	-44.61	347.62	6.68	-37.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020271186	0	52	-1.0	-46.91	387.07	8.61	-38.30
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020271186	1	52	-1.0	-46.90	387.10	8.60	-38.30
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020271187	0	50	-1.0	-41.27	366.69	7.48	-33.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020271187	1	50	-1.0	-41.23	366.74	7.50	-33.73
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020271188	0	47	-1.0	-47.04	352.80	6.15	-40.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020271188	1	47	-1.0	-47.06	352.86	6.17	-40.89
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020271189	0	54	-1.0	-43.40	397.05	9.47	-33.93
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020271189	1	54	-1.0	-43.32	397.08	9.46	-33.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020271190	0	43	-1.0	-47.76	362.99	6.13	-41.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020271190	1	43	-1.0	-47.77	363.05	6.15	-41.62
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020271191	0	40	-1.0	-47.81	346.29	5.49	-42.32
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020271191	1	40	-1.0	-47.83	346.35	5.52	-42.31
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020271192	0	55	-1.0	-40.43	404.23	9.83	-30.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020271192	1	55	-1.0	-40.39	404.29	9.85	-30.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020271193	0	52	-1.0	-44.61	373.37	10.89	-33.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020271193	1	52	-1.0	-44.62	373.45	10.92	-33.70
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020271194	0	49	-1.0	-46.53	398.07	4.62	-41.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020271194	1	49	-1.0	-46.54	398.12	4.64	-41.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020271195	0	46	-1.0	-47.00	381.65	3.65	-43.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020271195	1	46	-1.0	-47.01	381.71	3.67	-43.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020271196	0	44	-1.0	-46.16	345.15	5.18	-40.98
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020271196	1	44	-1.0	-46.12	345.21	5.19	-40.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020271197	0	41	-1.0	-52.30	328.11	4.04	-48.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020271197	1	41	-1.0	-52.31	328.05	4.01	-48.30
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020271198	0	48	-1.0	-50.96	376.19	6.65	-44.31
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020271198	1	48	-1.0	-50.86	376.22	6.64	-44.22
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020271199	0	44	-1.0	-42.88	349.70	8.55	-34.33
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020271199	1	44	-1.0	-42.79	349.73	8.54	-34.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(OC)C(C)=C2)C1	REAL300020271200	0	56	-1.0	-42.30	442.14	9.82	-32.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(OC)C(C)=C2)C1	REAL300020271200	1	56	-1.0	-42.34	442.20	9.84	-32.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(OC)C(C)=C2)C1	REAL300020271201	0	53	-1.0	-44.98	421.51	8.85	-36.13
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(OC)C(C)=C2)C1	REAL300020271201	1	53	-1.0	-44.98	421.57	8.87	-36.11
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020271202	0	44	-1.0	-44.24	366.26	1.79	-42.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020271202	1	44	-1.0	-44.29	366.32	1.81	-42.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020271203	0	41	-1.0	-51.24	341.82	1.45	-49.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020271203	1	41	-1.0	-51.22	341.87	1.47	-49.75
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020271204	0	48	-1.0	-52.88	381.07	3.35	-49.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020271204	1	48	-1.0	-52.79	381.18	3.34	-49.45
CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020271205	0	43	-1.0	-42.83	345.35	5.31	-37.52
CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020271205	1	43	-1.0	-42.80	345.41	5.32	-37.48
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020271206	0	47	-1.0	-43.13	377.94	7.39	-35.74
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020271206	1	47	-1.0	-43.09	377.98	7.38	-35.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020271207	0	45	-1.0	-42.22	354.30	3.77	-38.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020271207	1	45	-1.0	-42.19	354.36	3.79	-38.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020271208	0	42	-1.0	-44.70	330.37	3.29	-41.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020271208	1	42	-1.0	-44.78	330.43	3.32	-41.46
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020271209	0	49	-1.0	-44.06	385.86	5.95	-38.11
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020271209	1	49	-1.0	-44.09	385.91	5.94	-38.15
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020271210	0	50	-1.0	-44.79	401.27	6.12	-38.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020271210	1	50	-1.0	-44.78	401.32	6.14	-38.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020271211	0	47	-1.0	-48.39	379.37	5.52	-42.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020271211	1	47	-1.0	-48.45	379.43	5.53	-42.92
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(C)C(OC)=C2)C1	REAL300020271212	0	56	-1.0	-41.88	442.74	9.63	-32.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(C)C(OC)=C2)C1	REAL300020271212	1	56	-1.0	-41.90	442.80	9.65	-32.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(C)C(OC)=C2)C1	REAL300020271213	0	53	-1.0	-43.84	421.22	8.85	-34.99
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(C)C(OC)=C2)C1	REAL300020271213	1	53	-1.0	-43.85	421.27	8.87	-34.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300020271214	0	51	-1.0	-47.75	408.14	7.10	-40.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300020271214	1	51	-1.0	-47.74	408.20	7.11	-40.63
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300020271215	0	48	-1.0	-50.69	386.63	6.30	-44.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300020271215	1	48	-1.0	-50.74	386.69	6.33	-44.41
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020271216	0	51	-1.0	-43.30	396.60	3.18	-40.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020271216	1	51	-1.0	-43.31	396.66	3.19	-40.12
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020271217	0	48	-1.0	-45.22	381.34	2.19	-43.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020271217	1	48	-1.0	-45.25	381.40	2.22	-43.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1C	REAL300020271218	0	49	-1.0	-42.66	400.40	8.70	-33.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1C	REAL300020271218	1	49	-1.0	-42.68	400.46	8.71	-33.97
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1C	REAL300020271219	0	46	-1.0	-43.51	371.25	8.82	-34.69
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1C	REAL300020271219	1	46	-1.0	-43.50	371.30	8.84	-34.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020271220	0	50	-1.0	-43.87	410.00	6.98	-36.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020271220	1	50	-1.0	-43.87	410.05	7.00	-36.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020271221	0	47	-1.0	-45.76	388.51	6.20	-39.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020271221	1	47	-1.0	-45.77	388.56	6.23	-39.54
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020271222	0	49	-1.0	-48.86	389.03	4.15	-44.71
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020271222	1	49	-1.0	-48.81	389.08	4.17	-44.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020271223	0	46	-1.0	-50.97	363.28	3.42	-47.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020271223	1	46	-1.0	-51.01	363.34	3.44	-47.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1Cl	REAL300020271224	0	49	-1.0	-42.78	405.84	10.68	-32.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1Cl	REAL300020271224	1	49	-1.0	-42.80	405.90	10.69	-32.11
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1Cl	REAL300020271225	0	46	-1.0	-44.80	384.37	9.90	-34.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1Cl	REAL300020271225	1	46	-1.0	-44.81	384.43	9.92	-34.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020271226	0	44	-1.0	-42.10	365.04	5.59	-36.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020271226	1	44	-1.0	-42.10	365.10	5.60	-36.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020271227	0	41	-1.0	-48.44	336.41	3.80	-44.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020271227	1	41	-1.0	-48.43	336.36	3.79	-44.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020271228	0	50	-1.0	-44.78	402.81	6.87	-37.91
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020271228	1	50	-1.0	-44.78	402.87	6.89	-37.89
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020271229	0	47	-1.0	-45.65	386.96	6.17	-39.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020271229	1	47	-1.0	-45.64	387.01	6.20	-39.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(Br)N=C2C1	REAL300020271230	0	39	-1.0	-40.98	347.99	5.63	-35.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(Br)N=C2C1	REAL300020271230	1	39	-1.0	-40.95	348.05	5.64	-35.31
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(Br)N=C2C1	REAL300020271231	0	36	-1.0	-41.73	324.24	5.10	-36.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(Br)N=C2C1	REAL300020271231	1	36	-1.0	-41.75	324.29	5.12	-36.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020271232	0	45	-1.0	-39.59	360.81	7.49	-32.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020271232	1	45	-1.0	-39.59	360.87	7.51	-32.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020271233	0	42	-1.0	-40.24	343.31	6.70	-33.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020271233	1	42	-1.0	-40.26	343.36	6.73	-33.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020271234	0	50	-1.0	-42.82	390.36	7.32	-35.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020271234	1	50	-1.0	-42.81	390.31	7.31	-35.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020271235	0	47	-1.0	-47.02	364.35	6.74	-40.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020271235	1	47	-1.0	-46.97	364.29	6.72	-40.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020271236	0	49	-1.0	-40.67	385.18	8.29	-32.38
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020271236	1	49	-1.0	-40.69	385.24	8.30	-32.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020271237	0	46	-1.0	-42.34	368.82	7.31	-35.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020271237	1	46	-1.0	-42.36	368.87	7.33	-35.03
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020271238	0	53	-1.0	-42.07	418.67	10.12	-31.95
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020271238	1	53	-1.0	-42.08	418.72	10.11	-31.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020271239	0	51	-1.0	-50.56	397.00	5.03	-45.53
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020271239	1	51	-1.0	-50.57	397.06	5.05	-45.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020271240	0	48	-1.0	-54.48	380.04	4.25	-50.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020271240	1	48	-1.0	-54.46	380.10	4.28	-50.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020271241	0	48	-1.0	-50.30	382.22	4.45	-45.85
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020271241	1	48	-1.0	-50.30	382.28	4.46	-45.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020271242	0	45	-1.0	-52.77	354.54	3.93	-48.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020271242	1	45	-1.0	-52.77	354.60	3.95	-48.82
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020271243	0	46	-1.0	-39.27	387.94	6.48	-32.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020271243	1	46	-1.0	-39.33	388.00	6.49	-32.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020271244	0	43	-1.0	-41.33	366.74	5.65	-35.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020271244	1	43	-1.0	-41.34	366.80	5.67	-35.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020271245	0	46	-1.0	-43.43	377.80	8.92	-34.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020271245	1	46	-1.0	-43.44	377.86	8.93	-34.51
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020271246	0	43	-1.0	-45.83	356.30	8.13	-37.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020271246	1	43	-1.0	-45.83	356.36	8.16	-37.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)CC(C(=O)OC(C)(C)C)C1	REAL300020271247	0	55	-1.0	-45.16	432.60	7.07	-38.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)CC(C(=O)OC(C)(C)C)C1	REAL300020271247	1	55	-1.0	-45.16	432.66	7.08	-38.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020271248	0	45	-1.0	-41.85	347.14	8.08	-33.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020271248	1	45	-1.0	-41.85	347.20	8.10	-33.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020271249	0	42	-1.0	-42.18	320.12	7.40	-34.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020271249	1	42	-1.0	-42.18	320.18	7.42	-34.76
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020271250	0	49	-1.0	-42.26	383.62	9.57	-32.69
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020271250	1	49	-1.0	-42.23	383.68	9.56	-32.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020271251	0	48	-1.0	-41.64	387.72	7.62	-34.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020271251	1	48	-1.0	-41.66	387.78	7.63	-34.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020271252	0	45	-1.0	-43.07	366.84	6.62	-36.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020271252	1	45	-1.0	-43.06	366.89	6.65	-36.41
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020271253	0	52	-1.0	-43.92	416.05	9.58	-34.34
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020271253	1	52	-1.0	-43.94	416.09	9.58	-34.36
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020271254	0	48	-1.0	-41.57	384.62	7.29	-34.28
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020271254	1	48	-1.0	-41.60	384.68	7.31	-34.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020271255	0	45	-1.0	-42.84	366.23	6.83	-36.01
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020271255	1	45	-1.0	-42.83	366.28	6.85	-35.98
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020271256	0	52	-1.0	-43.38	416.72	9.44	-33.94
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020271256	1	52	-1.0	-43.33	416.77	9.44	-33.89
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020271257	0	48	-1.0	-41.54	384.55	7.30	-34.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020271257	1	48	-1.0	-41.54	384.61	7.31	-34.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020271258	0	45	-1.0	-44.12	366.80	6.63	-37.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020271258	1	45	-1.0	-44.11	366.86	6.66	-37.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020271259	0	52	-1.0	-43.47	416.56	9.39	-34.08
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020271259	1	52	-1.0	-43.46	416.61	9.38	-34.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020271260	0	45	-1.0	-46.77	369.95	7.12	-39.65
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020271260	1	45	-1.0	-46.79	370.01	7.14	-39.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020271261	0	42	-1.0	-50.61	346.09	6.50	-44.11
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020271261	1	42	-1.0	-50.58	346.14	6.52	-44.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020271262	0	49	-1.0	-48.68	397.24	9.14	-39.54
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020271262	1	49	-1.0	-48.63	397.27	9.13	-39.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020271263	0	49	-1.0	-46.21	407.44	6.69	-39.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020271263	1	49	-1.0	-46.20	407.50	6.70	-39.50
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020271264	0	46	-1.0	-48.14	386.36	5.91	-42.23
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020271264	1	46	-1.0	-48.16	386.42	5.95	-42.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020271265	0	46	-1.0	-40.67	361.05	4.98	-35.69
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020271265	1	46	-1.0	-40.66	361.11	4.99	-35.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020271266	0	43	-1.0	-46.10	329.24	5.25	-40.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020271266	1	43	-1.0	-46.07	329.31	5.26	-40.81
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CCCO1	REAL300020271267	0	50	-1.0	-42.42	373.05	8.05	-34.37
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CCCO1	REAL300020271267	1	50	-1.0	-42.38	373.08	8.03	-34.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020271268	0	49	-1.0	-46.85	400.88	7.73	-39.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020271268	1	49	-1.0	-46.88	400.94	7.74	-39.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020271269	0	46	-1.0	-49.15	379.38	6.94	-42.21
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020271269	1	46	-1.0	-49.16	379.44	6.97	-42.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020271270	0	55	-1.0	-42.13	393.83	4.98	-37.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020271270	1	55	-1.0	-42.13	393.88	5.00	-37.13
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020271270	1	56	0.0	-63.10	413.42	7.25	-55.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020271271	0	52	-1.0	-43.89	371.73	4.45	-39.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020271271	1	52	-1.0	-43.91	371.79	4.47	-39.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020271271	1	53	0.0	-63.05	393.10	6.72	-56.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020271272	0	46	-1.0	-43.03	387.47	9.87	-33.16
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020271272	1	46	-1.0	-43.03	387.53	9.88	-33.15
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020271273	0	43	-1.0	-46.04	362.55	7.25	-38.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020271273	1	43	-1.0	-46.05	362.60	7.28	-38.77
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020271274	0	54	-1.0	-41.18	417.74	7.77	-33.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020271274	1	55	0.0	-68.63	429.55	10.15	-58.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020271274	1	54	-1.0	-41.17	417.80	7.78	-33.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020271275	0	51	-1.0	-42.80	408.37	7.04	-35.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020271275	1	52	0.0	-67.95	407.36	9.47	-58.48
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020271275	1	51	-1.0	-42.82	408.43	7.06	-35.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020271276	0	52	-1.0	-39.74	395.63	9.82	-29.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020271276	1	52	-1.0	-39.73	395.68	9.83	-29.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020271277	0	49	-1.0	-42.13	374.20	9.05	-33.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020271277	1	49	-1.0	-42.12	374.14	9.02	-33.10
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020271278	0	43	-1.0	-43.35	336.30	7.86	-35.49
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020271278	1	43	-1.0	-43.35	336.32	7.85	-35.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020271279	0	43	-1.0	-39.89	352.21	5.15	-34.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020271279	1	43	-1.0	-39.93	352.27	5.16	-34.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020271280	0	40	-1.0	-41.04	330.65	4.37	-36.67
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020271280	1	40	-1.0	-41.04	330.71	4.40	-36.64
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020271281	0	47	-1.0	-43.08	375.92	7.32	-35.76
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020271281	1	47	-1.0	-43.03	375.96	7.32	-35.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020271282	0	47	-1.0	-40.80	359.01	7.22	-33.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020271282	1	47	-1.0	-40.76	359.06	7.23	-33.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020271283	0	44	-1.0	-43.23	336.58	6.82	-36.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020271283	1	44	-1.0	-43.21	336.64	6.83	-36.38
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020271284	0	51	-1.0	-43.66	394.49	9.63	-34.03
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020271284	1	51	-1.0	-43.67	394.53	9.62	-34.05
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020271285	0	43	-1.0	-51.25	345.44	3.45	-47.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020271285	1	43	-1.0	-51.24	345.49	3.46	-47.78
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020271286	0	40	-1.0	-50.97	328.81	2.84	-48.13
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020271286	1	40	-1.0	-50.99	328.76	2.81	-48.18
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020271287	0	47	-1.0	-50.92	378.25	6.08	-44.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020271287	1	47	-1.0	-50.87	378.29	6.07	-44.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020271288	0	48	-1.0	-45.44	403.23	6.78	-38.66
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020271288	1	48	-1.0	-45.43	403.17	6.77	-38.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020271289	0	45	-1.0	-46.37	381.78	6.00	-40.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020271289	1	45	-1.0	-46.36	381.72	5.97	-40.39
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020271290	0	41	-1.0	-46.50	333.27	1.26	-45.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020271290	1	41	-1.0	-46.51	333.33	1.28	-45.23
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020271291	0	38	-1.0	-48.26	306.35	0.58	-47.68
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020271291	1	38	-1.0	-48.31	306.40	0.60	-47.71
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020271292	0	45	-1.0	-49.17	361.43	3.23	-45.94
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020271292	1	45	-1.0	-49.15	361.63	3.22	-45.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020271293	0	43	-1.0	-40.41	347.11	7.65	-32.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020271293	1	43	-1.0	-40.38	347.17	7.67	-32.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020271294	0	40	-1.0	-42.97	325.66	7.06	-35.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020271294	1	40	-1.0	-42.94	325.72	7.07	-35.87
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020271295	0	47	-1.0	-42.01	380.17	9.56	-32.45
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020271295	1	47	-1.0	-41.93	380.23	9.55	-32.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C(=O)OC)C=CC(F)=C2C1	REAL300020271296	0	46	-1.0	-46.04	380.88	8.10	-37.94
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C(=O)OC)C=CC(F)=C2C1	REAL300020271296	1	46	-1.0	-46.05	380.93	8.12	-37.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020271297	0	54	0.0	-65.69	396.01	8.16	-57.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020271297	1	54	0.0	-65.21	400.32	8.15	-57.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020271297	1	54	0.0	-65.66	396.06	8.17	-57.49
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020271297	1	54	0.0	-65.16	400.37	8.16	-57.00
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020271298	0	51	0.0	-66.24	374.10	7.59	-58.65
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020271298	1	51	0.0	-64.75	378.82	7.36	-57.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020271298	1	51	0.0	-66.25	374.15	7.60	-58.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020271298	1	51	0.0	-64.76	378.88	7.39	-57.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020271299	0	58	0.0	-70.32	423.44	10.27	-60.05
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020271299	1	58	0.0	-71.34	416.83	10.10	-61.24
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020271299	1	58	0.0	-70.29	423.48	10.26	-60.03
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020271299	1	58	0.0	-71.35	416.85	10.08	-61.27
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020271300	0	46	-1.0	-43.76	372.40	10.61	-33.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020271300	1	46	-1.0	-43.77	372.45	10.62	-33.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020271301	0	43	-1.0	-50.95	352.55	9.88	-41.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020271301	1	43	-1.0	-50.95	352.51	9.85	-41.10
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020271302	0	50	-1.0	-48.49	409.52	13.06	-35.43
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020271302	1	50	-1.0	-48.48	409.58	13.05	-35.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC=C1OC	REAL300020271303	0	50	-1.0	-43.53	382.45	7.08	-36.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC=C1OC	REAL300020271303	1	50	-1.0	-43.54	382.51	7.10	-36.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC=C1OC	REAL300020271304	0	47	-1.0	-47.75	360.90	6.29	-41.46
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC=C1OC	REAL300020271304	1	47	-1.0	-47.79	360.96	6.31	-41.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3(CC2)OCCO3)C1	REAL300020271305	0	53	-1.0	-45.00	404.14	5.56	-39.44
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3(CC2)OCCO3)C1	REAL300020271305	1	53	-1.0	-45.03	404.20	5.59	-39.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020271306	0	45	-1.0	-41.58	359.81	6.44	-35.14
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020271306	1	45	-1.0	-41.55	359.87	6.46	-35.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020271307	0	42	-1.0	-43.26	341.79	5.79	-37.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020271307	1	42	-1.0	-43.25	341.73	5.76	-37.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020271308	0	49	-1.0	-44.44	379.05	8.94	-35.50
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020271308	1	49	-1.0	-44.38	379.06	8.93	-35.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020271309	0	51	-1.0	-39.23	378.34	8.76	-30.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020271309	1	51	-1.0	-39.25	378.40	8.77	-30.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020271310	0	48	-1.0	-43.37	345.57	8.60	-34.77
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020271310	1	48	-1.0	-43.35	345.63	8.63	-34.72
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCCC1	REAL300020271311	0	55	-1.0	-41.68	401.02	11.28	-30.40
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCCC1	REAL300020271311	1	55	-1.0	-41.62	401.05	11.26	-30.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)C2=CC=CC(OC)=C2)C1	REAL300020271312	0	52	-1.0	-52.19	423.50	8.01	-44.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)C2=CC=CC(OC)=C2)C1	REAL300020271312	1	52	-1.0	-52.15	423.56	8.03	-44.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020271313	0	43	-1.0	-41.76	332.72	6.99	-34.77
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020271313	1	43	-1.0	-41.71	332.77	7.00	-34.71
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020271314	0	47	-1.0	-42.20	357.14	8.59	-33.61
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020271314	1	47	-1.0	-42.19	357.19	8.59	-33.60
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020271315	0	46	-1.0	-45.16	365.68	4.97	-40.19
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020271315	1	46	-1.0	-45.18	365.74	4.98	-40.20
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020271316	0	43	-1.0	-40.72	305.50	-0.15	-40.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020271316	1	43	-1.0	-40.76	305.56	-0.12	-40.88
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020271317	0	40	-1.0	-40.22	314.61	4.71	-35.51
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020271317	1	40	-1.0	-40.24	314.67	4.73	-35.51
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC[C@@H]1C	REAL300020271318	0	44	-1.0	-41.63	358.35	7.61	-34.02
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC[C@@H]1C	REAL300020271318	1	44	-1.0	-41.68	358.39	7.61	-34.07
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020271319	0	41	-1.0	-43.12	347.86	8.14	-34.98
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020271319	1	41	-1.0	-43.11	347.89	8.13	-34.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020271320	0	40	-1.0	-46.09	310.91	5.17	-40.92
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020271320	1	40	-1.0	-46.12	310.97	5.19	-40.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020271321	0	37	-1.0	-48.23	293.50	4.73	-43.50
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020271321	1	37	-1.0	-48.18	293.56	4.74	-43.44
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020271322	0	44	-1.0	-47.49	347.25	7.44	-40.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020271322	1	44	-1.0	-47.50	347.28	7.43	-40.07
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020271323	0	49	-1.0	-39.85	373.30	8.64	-31.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020271323	1	49	-1.0	-39.86	373.36	8.65	-31.21
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020271324	0	46	-1.0	-41.36	351.81	7.85	-33.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020271324	1	46	-1.0	-41.36	351.87	7.87	-33.49
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020271325	0	53	-1.0	-41.65	400.72	10.60	-31.05
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020271325	1	53	-1.0	-41.59	400.75	10.59	-31.00
CCC1=CSC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC)CC2)=N1	REAL300020271326	0	51	-1.0	-41.49	423.54	8.14	-33.35
CCC1=CSC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC)CC2)=N1	REAL300020271326	1	51	-1.0	-41.49	423.60	8.16	-33.33
CCC1=CSC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CC2)=N1	REAL300020271327	0	48	-1.0	-43.52	402.03	7.36	-36.16
CCC1=CSC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CC2)=N1	REAL300020271327	1	48	-1.0	-43.52	402.09	7.38	-36.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020271328	0	45	-1.0	-44.45	364.66	7.69	-36.76
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020271328	1	45	-1.0	-44.47	364.71	7.71	-36.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020271329	0	42	-1.0	-45.71	343.75	6.71	-39.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020271329	1	42	-1.0	-45.68	343.81	6.73	-38.95
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020271330	0	49	-1.0	-45.20	393.00	9.65	-35.55
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020271330	1	49	-1.0	-45.21	393.04	9.65	-35.56
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020271331	0	48	-1.0	-41.94	378.25	8.52	-33.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020271331	1	48	-1.0	-41.94	378.30	8.54	-33.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020271332	0	45	-1.0	-44.21	356.75	7.74	-36.47
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020271332	1	45	-1.0	-44.21	356.81	7.76	-36.45
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCCF)CC1	REAL300020271333	0	52	-1.0	-43.55	407.24	10.39	-33.16
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCCF)CC1	REAL300020271333	1	52	-1.0	-43.56	407.28	10.38	-33.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020271334	0	48	-1.0	-42.13	389.79	8.77	-33.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020271334	1	48	-1.0	-42.11	389.84	8.78	-33.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020271335	0	45	-1.0	-43.57	368.29	7.98	-35.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020271335	1	45	-1.0	-43.58	368.35	8.01	-35.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020271336	0	46	-1.0	-42.45	392.36	10.14	-32.31
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020271336	1	46	-1.0	-42.48	392.42	10.15	-32.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020271337	0	43	-1.0	-41.16	362.52	7.75	-33.41
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020271337	1	43	-1.0	-41.15	362.58	7.78	-33.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020271338	0	45	-1.0	-40.76	367.82	7.77	-32.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020271338	1	45	-1.0	-40.73	367.87	7.79	-32.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020271339	0	42	-1.0	-41.85	346.05	6.98	-34.87
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020271339	1	42	-1.0	-41.85	346.11	7.01	-34.84
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020271340	0	53	-1.0	-40.03	402.56	7.66	-32.37
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020271340	1	53	-1.0	-40.04	402.62	7.68	-32.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020271341	0	50	-1.0	-42.07	384.79	7.00	-35.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020271341	1	50	-1.0	-42.06	384.85	7.02	-35.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020271342	0	43	-1.0	-45.53	347.72	2.91	-42.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020271342	1	43	-1.0	-45.50	347.78	2.93	-42.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020271343	0	40	-1.0	-49.20	325.92	2.30	-46.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020271343	1	40	-1.0	-49.25	325.98	2.32	-46.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020271344	0	47	-1.0	-46.52	375.68	4.99	-41.53
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020271344	1	47	-1.0	-46.51	375.72	4.98	-41.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020271345	0	48	-1.0	-46.37	389.20	3.77	-42.60
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020271345	1	48	-1.0	-46.36	389.26	3.78	-42.58
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020271346	0	45	-1.0	-48.75	367.38	3.15	-45.60
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020271346	1	45	-1.0	-48.69	367.45	3.17	-45.52
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020271347	0	45	-1.0	-41.67	348.95	7.88	-33.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020271347	1	45	-1.0	-41.67	349.01	7.89	-33.78
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020271348	0	42	-1.0	-42.48	326.80	7.34	-35.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020271348	1	42	-1.0	-42.55	326.86	7.36	-35.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020271349	0	43	-1.0	-45.05	352.43	3.51	-41.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020271349	1	43	-1.0	-45.06	352.48	3.53	-41.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020271350	0	40	-1.0	-47.92	330.05	2.92	-45.00
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020271350	1	40	-1.0	-47.90	330.11	2.94	-44.96
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(CO)CC1	REAL300020271351	0	47	-1.0	-46.79	377.84	5.70	-41.09
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(CO)CC1	REAL300020271351	1	47	-1.0	-46.72	377.88	5.69	-41.03
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(Cl)C=CC=C1Cl	REAL300020271352	0	43	-1.0	-41.80	350.73	7.56	-34.24
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(Cl)C=CC=C1Cl	REAL300020271352	1	43	-1.0	-41.80	350.78	7.59	-34.21
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020271353	0	46	-1.0	-44.31	376.49	7.41	-36.90
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020271353	1	46	-1.0	-44.33	376.55	7.43	-36.90
CCOC(=O)C1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020271354	0	43	-1.0	-47.02	354.93	6.62	-40.40
CCOC(=O)C1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020271354	1	43	-1.0	-47.05	354.98	6.65	-40.40
CCOC(=O)C1=CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)C1	REAL300020271355	0	50	-1.0	-47.14	402.18	8.91	-38.23
CCOC(=O)C1=CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)C1	REAL300020271355	1	50	-1.0	-47.16	402.22	8.90	-38.26
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020271356	0	46	-1.0	-43.62	373.29	8.95	-34.67
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020271356	1	46	-1.0	-43.62	373.35	8.96	-34.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020271357	0	43	-1.0	-43.93	348.99	8.18	-35.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020271357	1	43	-1.0	-43.90	348.93	8.15	-35.75
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020271358	0	43	-1.0	-41.33	344.89	5.04	-36.29
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020271358	1	43	-1.0	-41.35	344.95	5.05	-36.30
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020271359	0	47	-1.0	-44.81	364.91	7.23	-37.58
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020271359	1	47	-1.0	-44.85	364.87	7.22	-37.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020271360	0	43	-1.0	-46.15	353.37	5.74	-40.41
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020271360	1	43	-1.0	-46.17	353.43	5.76	-40.41
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020271361	0	40	-1.0	-42.65	331.44	6.00	-36.65
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020271361	1	40	-1.0	-42.61	331.49	6.02	-36.59
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020271362	0	47	-1.0	-48.13	379.30	7.87	-40.26
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020271362	1	47	-1.0	-48.16	379.35	7.86	-40.30
CC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)CCO1	REAL300020271363	0	43	-1.0	-40.38	340.46	5.24	-35.14
CC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)CCO1	REAL300020271363	1	43	-1.0	-40.39	340.52	5.26	-35.13
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)CCO1	REAL300020271364	0	47	-1.0	-42.36	372.75	7.34	-35.02
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)CCO1	REAL300020271364	1	47	-1.0	-42.34	372.77	7.34	-35.00
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC)C1	REAL300020271365	0	43	-1.0	-41.10	345.03	5.04	-36.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC)C1	REAL300020271365	1	43	-1.0	-41.08	345.09	5.06	-36.02
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](OC)C1	REAL300020271366	0	47	-1.0	-43.13	361.21	6.64	-36.49
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](OC)C1	REAL300020271366	1	47	-1.0	-43.11	361.23	6.63	-36.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020271367	0	44	-1.0	-41.66	346.85	3.27	-38.39
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020271367	1	44	-1.0	-41.67	346.91	3.28	-38.39
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020271368	0	41	-1.0	-42.74	330.87	3.10	-39.64
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020271368	1	41	-1.0	-42.75	330.93	3.12	-39.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020271369	0	48	-1.0	-44.12	373.96	5.21	-38.91
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020271369	1	48	-1.0	-44.13	373.99	5.20	-38.93
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020271370	0	48	-1.0	-42.39	394.55	8.60	-33.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020271370	1	48	-1.0	-42.38	394.61	8.61	-33.77
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020271371	0	45	-1.0	-46.14	358.74	7.30	-38.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020271371	1	45	-1.0	-46.12	358.80	7.33	-38.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](COC)C1	REAL300020271372	0	44	-1.0	-41.25	361.11	3.95	-37.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](COC)C1	REAL300020271372	1	44	-1.0	-41.21	361.16	3.97	-37.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](COC)C1	REAL300020271373	0	41	-1.0	-42.74	331.52	3.11	-39.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](COC)C1	REAL300020271373	1	41	-1.0	-42.76	331.59	3.12	-39.64
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@H](COC)C1	REAL300020271374	0	48	-1.0	-43.95	373.90	5.18	-38.77
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@H](COC)C1	REAL300020271374	1	48	-1.0	-43.90	373.93	5.17	-38.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300020271375	0	57	-1.0	-50.11	441.90	8.91	-41.20
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300020271375	1	57	-1.0	-50.11	441.96	8.92	-41.19
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300020271376	0	54	-1.0	-53.50	417.37	8.10	-45.40
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300020271376	1	54	-1.0	-53.59	417.43	8.12	-45.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300020271377	0	50	-1.0	-49.85	416.81	8.06	-41.79
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300020271377	1	50	-1.0	-49.91	416.87	8.08	-41.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020271378	0	45	-1.0	-40.64	362.96	6.12	-34.52
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020271378	1	45	-1.0	-40.63	363.02	6.14	-34.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020271379	0	42	-1.0	-43.23	341.51	5.36	-37.87
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020271379	1	42	-1.0	-43.20	341.45	5.34	-37.86
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020271380	0	49	-1.0	-43.30	386.53	8.30	-35.00
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020271380	1	49	-1.0	-43.24	386.56	8.29	-34.95
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NOC(C(F)(F)F)=N2)C1	REAL300020271381	0	44	-1.0	-44.19	386.52	4.63	-39.56
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NOC(C(F)(F)F)=N2)C1	REAL300020271381	1	44	-1.0	-44.18	386.58	4.66	-39.52
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C(F)=C2)CC1	REAL300020271382	0	47	-1.0	-46.88	389.55	5.92	-40.96
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C(F)=C2)CC1	REAL300020271382	1	47	-1.0	-46.86	389.60	5.95	-40.91
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)N(C(=O)OC(C)(C)C)C2	REAL300020271383	0	54	-1.0	-52.03	417.30	8.12	-43.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)N(C(=O)OC(C)(C)C)C2	REAL300020271383	1	54	-1.0	-52.04	417.35	8.14	-43.90
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC(C)=C1F	REAL300020271384	0	49	-1.0	-44.28	400.19	10.33	-33.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC(C)=C1F	REAL300020271384	1	49	-1.0	-44.30	400.25	10.34	-33.96
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC(C)=C1F	REAL300020271385	0	46	-1.0	-46.88	378.70	9.53	-37.35
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC(C)=C1F	REAL300020271385	1	46	-1.0	-46.84	378.76	9.56	-37.28
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020271386	0	44	-1.0	-41.99	348.68	7.60	-34.39
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020271386	1	44	-1.0	-41.96	348.70	7.59	-34.37
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020271387	0	45	-1.0	-46.20	357.08	2.76	-43.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020271387	1	45	-1.0	-46.22	357.14	2.77	-43.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020271388	0	42	-1.0	-45.27	337.39	2.11	-43.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020271388	1	42	-1.0	-45.29	337.44	2.13	-43.16
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020271389	0	49	-1.0	-47.96	389.24	4.85	-43.11
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020271389	1	49	-1.0	-47.93	389.28	4.85	-43.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020271390	0	51	-1.0	-47.16	392.45	2.82	-44.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020271390	1	51	-1.0	-47.19	392.51	2.83	-44.36
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020271391	0	48	-1.0	-48.51	382.39	2.09	-46.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020271391	1	48	-1.0	-48.57	382.44	2.11	-46.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(S(C)(=O)=O)=C2C1	REAL300020271392	0	46	-1.0	-49.53	388.17	1.92	-47.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(S(C)(=O)=O)=C2C1	REAL300020271392	1	46	-1.0	-49.47	388.23	1.93	-47.54
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(S(C)(=O)=O)=C2C1	REAL300020271393	0	43	-1.0	-49.11	372.79	1.72	-47.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(S(C)(=O)=O)=C2C1	REAL300020271393	1	43	-1.0	-49.08	372.84	1.74	-47.34
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020271394	0	53	-1.0	-42.12	389.70	6.12	-36.00
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020271394	1	53	-1.0	-42.07	389.75	6.13	-35.94
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020271395	0	50	-1.0	-44.71	365.13	5.32	-39.39
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020271395	1	50	-1.0	-44.72	365.19	5.34	-39.38
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C[C@H](C2=NNC(=O)N2C)C1	REAL300020271396	0	52	-1.0	-47.00	414.17	6.52	-40.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C[C@H](C2=NNC(=O)N2C)C1	REAL300020271396	1	52	-1.0	-46.99	414.23	6.54	-40.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C[C@H](C2=NNC(=O)N2C)C1	REAL300020271397	0	49	-1.0	-48.39	396.36	5.86	-42.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C[C@H](C2=NNC(=O)N2C)C1	REAL300020271397	1	49	-1.0	-48.42	396.42	5.89	-42.53
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020271398	0	42	-1.0	-49.75	343.20	2.27	-47.48
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020271398	1	42	-1.0	-49.75	343.26	2.29	-47.46
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020271399	0	39	-1.0	-52.70	316.75	1.67	-51.03
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020271399	1	39	-1.0	-52.74	316.81	1.68	-51.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020271400	0	46	-1.0	-52.71	370.80	4.47	-48.24
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020271400	1	46	-1.0	-52.73	370.81	4.45	-48.28
CCOC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC)C1	REAL300020271401	0	51	-1.0	-41.46	409.58	8.54	-32.92
CCOC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC)C1	REAL300020271401	1	51	-1.0	-41.47	409.64	8.55	-32.92
CCOC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC)C1	REAL300020271402	0	48	-1.0	-42.93	388.95	7.55	-35.38
CCOC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC)C1	REAL300020271402	1	48	-1.0	-42.98	389.01	7.58	-35.40
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020271403	0	49	-1.0	-41.17	400.82	9.92	-31.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020271403	1	49	-1.0	-41.23	400.88	9.94	-31.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020271404	0	46	-1.0	-42.48	384.40	8.95	-33.53
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020271404	1	46	-1.0	-42.47	384.46	8.97	-33.50
CCOC(=O)C1CC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC)CC2	REAL300020271405	0	52	-1.0	-44.33	418.44	9.15	-35.18
CCOC(=O)C1CC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC)CC2	REAL300020271405	1	52	-1.0	-44.34	418.49	9.17	-35.17
CCOC(=O)C1CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC)CC2	REAL300020271406	0	49	-1.0	-47.67	396.46	8.54	-39.13
CCOC(=O)C1CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC)CC2	REAL300020271406	1	49	-1.0	-47.72	396.52	8.56	-39.16
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020271407	0	43	-1.0	-42.23	345.83	7.97	-34.26
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020271407	1	43	-1.0	-42.18	345.87	7.96	-34.22
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020271408	0	51	-1.0	-44.58	396.06	7.97	-36.61
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020271408	1	51	-1.0	-44.65	396.12	7.99	-36.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020271409	0	48	-1.0	-44.09	377.45	7.39	-36.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020271409	1	48	-1.0	-44.09	377.51	7.41	-36.68
CCOC(=O)C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC)CCC2=NN1C	REAL300020271410	0	49	-1.0	-51.84	393.88	5.88	-45.96
CCOC(=O)C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC)CCC2=NN1C	REAL300020271410	1	49	-1.0	-51.85	393.94	5.90	-45.95
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020271411	0	49	-1.0	-43.95	396.06	6.65	-37.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020271411	1	49	-1.0	-43.99	396.12	6.66	-37.33
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020271412	0	46	-1.0	-45.55	378.31	5.98	-39.57
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020271412	1	46	-1.0	-45.56	378.37	6.01	-39.55
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C(F)F)CC1	REAL300020271413	0	48	-1.0	-45.39	394.95	7.33	-38.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C(F)F)CC1	REAL300020271413	1	48	-1.0	-45.38	395.01	7.34	-38.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C(F)F)CC1	REAL300020271414	0	45	-1.0	-46.65	372.09	6.56	-40.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C(F)F)CC1	REAL300020271414	1	45	-1.0	-46.65	372.15	6.59	-40.06
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020271415	0	43	-1.0	-42.23	345.83	7.97	-34.26
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020271415	1	43	-1.0	-42.18	345.87	7.96	-34.22
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020271416	0	48	-1.0	-43.02	386.45	7.96	-35.06
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020271416	1	48	-1.0	-43.02	386.50	7.97	-35.05
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020271417	0	45	-1.0	-46.54	368.81	7.28	-39.26
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020271417	1	45	-1.0	-46.52	368.85	7.31	-39.21
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020271418	0	46	-1.0	-42.26	355.83	7.46	-34.80
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020271418	1	46	-1.0	-42.24	355.89	7.48	-34.76
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020271419	0	43	-1.0	-41.32	344.40	7.41	-33.91
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020271419	1	43	-1.0	-41.39	344.45	7.42	-33.97
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(=O)OC)CO2)CC1	REAL300020271420	0	53	-1.0	-45.47	419.64	7.21	-38.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(=O)OC)CO2)CC1	REAL300020271420	1	53	-1.0	-45.44	419.70	7.22	-38.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(=O)OC)CO2)CC1	REAL300020271421	0	50	-1.0	-48.04	399.16	6.30	-41.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(=O)OC)CO2)CC1	REAL300020271421	1	50	-1.0	-48.04	399.22	6.31	-41.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020271422	0	48	-1.0	-46.75	391.80	5.86	-40.89
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020271422	1	48	-1.0	-46.77	391.86	5.87	-40.90
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020271423	0	45	-1.0	-50.09	370.00	5.24	-44.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020271423	1	45	-1.0	-50.08	370.06	5.27	-44.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020271424	0	49	-1.0	-44.90	368.63	9.18	-35.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020271424	1	49	-1.0	-44.91	368.68	9.19	-35.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020271425	0	46	-1.0	-50.22	346.09	8.68	-41.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020271425	1	46	-1.0	-50.18	346.15	8.68	-41.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020271426	0	55	-1.0	-40.85	420.99	8.17	-32.68
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020271426	1	55	-1.0	-40.86	421.05	8.18	-32.68
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020271427	0	52	-1.0	-43.45	399.49	7.38	-36.07
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020271427	1	52	-1.0	-43.44	399.55	7.41	-36.03
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020271428	0	55	-1.0	-39.49	425.76	8.02	-31.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020271428	1	55	-1.0	-39.48	425.81	8.03	-31.45
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020271429	0	52	-1.0	-41.69	404.56	7.18	-34.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020271429	1	52	-1.0	-41.71	404.61	7.21	-34.50
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020271430	0	48	-1.0	-47.24	394.86	5.94	-41.30
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020271430	1	48	-1.0	-47.30	394.92	5.95	-41.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020271431	0	45	-1.0	-49.91	374.16	4.96	-44.95
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020271431	1	45	-1.0	-49.95	374.22	4.99	-44.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020271432	0	47	-1.0	-45.85	361.07	5.73	-40.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020271432	1	47	-1.0	-45.83	361.13	5.75	-40.08
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020271433	0	44	-1.0	-42.11	352.11	5.13	-36.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020271433	1	44	-1.0	-42.08	352.16	5.16	-36.92
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020271434	0	51	-1.0	-43.79	394.47	8.02	-35.77
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020271434	1	51	-1.0	-43.73	394.49	8.00	-35.73
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020271435	0	45	-1.0	-42.83	362.45	6.20	-36.63
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020271435	1	45	-1.0	-42.87	362.51	6.21	-36.66
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020271436	0	42	-1.0	-45.69	340.28	5.60	-40.09
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020271436	1	42	-1.0	-45.70	340.34	5.63	-40.07
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020271437	0	49	-1.0	-44.70	388.05	8.39	-36.31
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020271437	1	49	-1.0	-44.77	388.05	8.38	-36.39
CCN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020271438	0	49	-1.0	-42.23	377.15	6.06	-36.17
CCN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020271438	1	49	-1.0	-42.22	377.21	6.08	-36.14
CCN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020271439	0	46	-1.0	-43.28	364.58	5.43	-37.85
CCN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020271439	1	46	-1.0	-43.29	364.63	5.46	-37.83
CCN(CC1CCOCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020271440	0	53	-1.0	-42.89	414.79	8.50	-34.39
CCN(CC1CCOCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020271440	1	53	-1.0	-42.94	414.83	8.50	-34.44
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020271441	0	51	-1.0	-51.92	396.61	4.19	-47.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020271441	1	51	-1.0	-51.96	396.67	4.21	-47.75
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020271442	0	48	-1.0	-54.02	375.22	3.39	-50.63
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020271442	1	48	-1.0	-54.05	375.28	3.42	-50.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020271443	0	44	-1.0	-42.89	380.39	6.35	-36.54
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020271443	1	44	-1.0	-42.96	380.45	6.36	-36.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020271444	0	41	-1.0	-44.73	358.83	5.57	-39.16
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020271444	1	41	-1.0	-44.74	358.89	5.60	-39.14
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020271445	0	48	-1.0	-44.69	408.56	8.34	-36.35
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020271445	1	48	-1.0	-44.65	408.61	8.33	-36.32
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020271446	0	47	-1.0	-49.06	358.99	2.18	-46.88
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020271446	1	47	-1.0	-49.04	359.05	2.19	-46.85
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020271447	0	44	-1.0	-49.87	349.01	1.69	-48.18
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020271447	1	44	-1.0	-49.86	349.07	1.71	-48.15
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020271448	0	49	-1.0	-47.07	387.46	7.72	-39.35
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020271448	1	49	-1.0	-47.08	387.51	7.73	-39.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020271449	0	46	-1.0	-49.17	360.56	7.03	-42.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020271449	1	46	-1.0	-49.20	360.61	7.06	-42.14
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020271450	0	52	-1.0	-42.98	401.37	7.99	-34.99
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020271450	1	52	-1.0	-42.99	401.43	8.00	-34.99
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020271451	0	49	-1.0	-41.93	389.22	7.32	-34.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020271451	1	49	-1.0	-41.98	389.28	7.34	-34.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)C(=O)C1	REAL300020271452	0	44	-1.0	-48.37	376.24	6.67	-41.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)C(=O)C1	REAL300020271452	1	44	-1.0	-48.39	376.30	6.70	-41.69
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020271453	0	47	-1.0	-42.37	350.71	5.79	-36.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020271453	1	47	-1.0	-42.38	350.77	5.81	-36.57
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020271454	0	44	-1.0	-46.15	334.27	5.22	-40.93
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020271454	1	44	-1.0	-46.13	334.33	5.24	-40.89
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020271455	0	51	-1.0	-43.92	386.84	8.09	-35.83
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020271455	1	51	-1.0	-43.87	386.87	8.08	-35.79
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020271456	0	39	-1.0	-39.43	336.50	6.28	-33.15
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020271456	1	39	-1.0	-39.38	336.56	6.29	-33.09
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020271457	0	36	-1.0	-40.85	319.44	5.40	-35.45
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020271457	1	36	-1.0	-40.81	319.49	5.42	-35.39
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020271458	0	43	-1.0	-41.43	368.60	8.36	-33.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020271458	1	43	-1.0	-41.43	368.65	8.35	-33.08
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020271459	0	47	-1.0	-47.55	369.16	5.12	-42.43
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020271459	1	47	-1.0	-47.56	369.22	5.14	-42.42
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020271460	0	44	-1.0	-48.03	351.20	4.54	-43.49
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020271460	1	44	-1.0	-48.02	351.26	4.56	-43.46
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020271461	0	48	-1.0	-54.30	372.88	3.51	-50.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020271461	1	48	-1.0	-54.33	372.94	3.53	-50.80
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020271462	0	45	-1.0	-49.00	351.26	2.69	-46.31
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020271462	1	45	-1.0	-49.06	351.31	2.71	-46.35
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC(Cl)=C1F	REAL300020271463	0	43	-1.0	-44.65	374.76	9.77	-34.88
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC(Cl)=C1F	REAL300020271463	1	43	-1.0	-44.65	374.82	9.79	-34.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020271464	0	51	-1.0	-40.20	379.80	6.99	-33.21
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020271464	1	51	-1.0	-40.25	379.85	7.00	-33.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020271465	0	48	-1.0	-45.64	354.33	6.47	-39.17
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020271465	1	48	-1.0	-45.67	354.39	6.50	-39.17
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020271466	0	55	-1.0	-41.88	422.61	9.82	-32.06
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020271466	1	55	-1.0	-41.88	422.66	9.84	-32.04
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020271467	0	52	-1.0	-44.63	397.43	10.02	-34.61
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020271467	1	52	-1.0	-44.65	397.48	10.04	-34.61
CCOC(=O)C1=NOC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC)CC2	REAL300020271468	0	48	-1.0	-45.71	394.38	6.95	-38.76
CCOC(=O)C1=NOC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC)CC2	REAL300020271468	1	48	-1.0	-45.73	394.44	6.96	-38.77
CCOC(=O)C1=NOC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC)CC2	REAL300020271469	0	45	-1.0	-49.63	377.71	6.45	-43.18
CCOC(=O)C1=NOC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC)CC2	REAL300020271469	1	45	-1.0	-49.62	377.77	6.47	-43.15
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=C(C(=O)OC)N=CO2)C1	REAL300020271470	0	48	-1.0	-47.32	402.48	4.48	-42.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=C(C(=O)OC)N=CO2)C1	REAL300020271470	1	48	-1.0	-47.32	402.42	4.46	-42.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020271471	0	53	-1.0	-40.73	389.41	5.29	-35.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020271471	1	53	-1.0	-40.78	389.46	5.30	-35.48
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020271472	0	50	-1.0	-42.85	370.34	4.58	-38.27
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020271472	1	50	-1.0	-42.89	370.40	4.61	-38.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020271473	0	50	-1.0	-40.53	378.38	5.08	-35.45
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020271473	1	50	-1.0	-40.56	378.43	5.09	-35.47
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020271474	0	47	-1.0	-43.01	356.92	4.18	-38.83
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020271474	1	47	-1.0	-43.03	356.97	4.19	-38.84
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020271475	0	54	-1.0	-43.81	397.27	6.74	-37.07
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020271475	1	54	-1.0	-43.83	397.29	6.72	-37.11
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC)=N1	REAL300020271476	0	42	-1.0	-44.01	352.60	8.88	-35.13
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC)=N1	REAL300020271476	1	42	-1.0	-43.97	352.54	8.87	-35.10
CCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC)=N1	REAL300020271477	0	39	-1.0	-46.22	331.04	8.12	-38.10
CCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC)=N1	REAL300020271477	1	39	-1.0	-46.18	330.98	8.08	-38.10
CCCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC)=N1	REAL300020271478	0	46	-1.0	-46.03	380.93	10.84	-35.19
CCCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC)=N1	REAL300020271478	1	46	-1.0	-46.02	380.87	10.84	-35.18
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020271479	0	47	-1.0	-44.76	376.92	6.51	-38.25
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020271479	1	47	-1.0	-44.75	376.98	6.53	-38.22
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020271480	0	44	-1.0	-48.45	355.12	5.90	-42.55
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020271480	1	44	-1.0	-48.45	355.18	5.92	-42.53
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020271481	0	51	-1.0	-48.73	397.14	8.49	-40.24
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020271481	1	51	-1.0	-48.67	397.18	8.48	-40.19
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(OC)C=CC=C2OC)C1	REAL300020271482	0	54	-1.0	-43.94	415.44	7.70	-36.24
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(OC)C=CC=C2OC)C1	REAL300020271482	1	54	-1.0	-43.96	415.50	7.71	-36.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(OC)C=CC=C2OC)C1	REAL300020271483	0	51	-1.0	-45.73	388.39	7.01	-38.72
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(OC)C=CC=C2OC)C1	REAL300020271483	1	51	-1.0	-45.75	388.45	7.04	-38.71
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300020271484	0	50	-1.0	-48.27	398.44	8.95	-39.32
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300020271484	1	50	-1.0	-48.25	398.49	8.96	-39.29
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300020271485	0	47	-1.0	-50.89	375.34	8.47	-42.42
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300020271485	1	47	-1.0	-50.87	375.40	8.49	-42.38
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OCC(=O)OC)=C1	REAL300020271486	0	49	-1.0	-48.80	415.61	7.96	-40.84
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OCC(=O)OC)=C1	REAL300020271486	1	49	-1.0	-48.85	415.66	7.98	-40.87
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020271487	0	41	-1.0	-42.25	311.44	6.83	-35.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020271487	1	41	-1.0	-42.25	311.49	6.85	-35.40
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020271488	0	45	-1.0	-44.21	343.55	8.90	-35.31
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020271488	1	45	-1.0	-44.16	343.59	8.88	-35.28
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020271489	0	47	-1.0	-40.18	371.73	10.11	-30.07
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020271489	1	47	-1.0	-40.14	371.78	10.12	-30.02
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020271490	0	44	-1.0	-43.94	349.89	9.34	-34.60
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020271490	1	44	-1.0	-43.94	349.83	9.31	-34.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020271491	0	51	-1.0	-44.13	374.75	10.29	-33.84
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020271491	1	51	-1.0	-44.13	374.77	10.27	-33.86
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020271492	0	45	-1.0	-39.90	357.85	5.88	-34.02
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020271492	1	45	-1.0	-39.87	357.90	5.89	-33.98
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020271493	0	42	-1.0	-42.20	330.98	5.23	-36.97
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020271493	1	42	-1.0	-42.19	331.04	5.26	-36.93
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020271494	0	49	-1.0	-42.35	383.30	8.02	-34.33
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020271494	1	49	-1.0	-42.35	383.34	8.01	-34.34
CCOC(=O)CC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC)CC2	REAL300020271495	0	52	-1.0	-45.97	416.10	8.64	-37.33
CCOC(=O)CC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC)CC2	REAL300020271495	1	52	-1.0	-46.01	416.15	8.66	-37.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020271496	0	44	-1.0	-40.39	334.91	3.30	-37.09
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020271496	1	44	-1.0	-40.38	334.97	3.31	-37.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020271497	0	41	-1.0	-44.14	326.19	2.38	-41.76
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020271497	1	41	-1.0	-44.14	326.25	2.41	-41.73
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020271498	0	48	-1.0	-42.49	363.13	5.26	-37.23
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020271498	1	48	-1.0	-42.45	363.18	5.26	-37.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C2=CC=CC=C2)N=C1)C1CC1	REAL300020271499	0	50	-1.0	-47.60	414.78	9.91	-37.69
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C2=CC=CC=C2)N=C1)C1CC1	REAL300020271499	1	50	-1.0	-47.56	414.72	9.89	-37.67
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C(C(F)(F)F)=NNC2=O	REAL300020271500	0	42	-1.0	-41.69	365.58	3.84	-37.85
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C(C(F)(F)F)=NNC2=O	REAL300020271500	1	42	-1.0	-41.69	365.64	3.86	-37.83
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020271501	0	53	-1.0	-40.80	381.82	7.54	-33.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020271501	1	53	-1.0	-40.81	381.88	7.55	-33.26
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020271502	0	50	-1.0	-44.68	359.19	6.93	-37.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020271502	1	50	-1.0	-44.70	359.25	6.95	-37.75
CCCOC(=O)NCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020271503	0	52	-1.0	-45.61	424.62	4.99	-40.62
CCCOC(=O)NCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020271503	1	52	-1.0	-45.60	424.68	5.01	-40.59
CCCOC(=O)NCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC	REAL300020271504	0	49	-1.0	-46.77	407.32	4.31	-42.46
CCCOC(=O)NCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC	REAL300020271504	1	49	-1.0	-46.79	407.38	4.34	-42.45
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020271505	0	44	-1.0	-39.53	350.82	7.75	-31.78
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020271505	1	44	-1.0	-39.50	350.88	7.76	-31.74
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020271506	0	41	-1.0	-42.53	329.04	7.13	-35.40
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020271506	1	41	-1.0	-42.45	328.98	7.11	-35.34
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020271507	0	48	-1.0	-41.89	383.39	10.10	-31.79
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020271507	1	48	-1.0	-41.91	383.43	10.10	-31.81
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020271508	0	46	-1.0	-41.60	380.88	9.24	-32.36
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020271508	1	46	-1.0	-41.54	380.94	9.25	-32.29
CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020271509	0	43	-1.0	-43.58	359.44	8.48	-35.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020271509	1	43	-1.0	-43.59	359.38	8.45	-35.14
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020271510	0	50	-1.0	-44.37	395.15	11.13	-33.24
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020271510	1	50	-1.0	-44.42	395.18	11.13	-33.29
CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020271511	0	51	-1.0	-40.55	396.27	9.13	-31.42
CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020271511	1	51	-1.0	-40.52	396.33	9.15	-31.37
CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020271512	0	48	-1.0	-43.69	380.21	8.55	-35.14
CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020271512	1	48	-1.0	-43.71	380.27	8.58	-35.13
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020271513	0	46	-1.0	-42.25	348.86	7.55	-34.70
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020271513	1	46	-1.0	-42.26	348.92	7.56	-34.70
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020271514	0	43	-1.0	-46.07	329.74	7.02	-39.05
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020271514	1	43	-1.0	-46.10	329.68	6.99	-39.11
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020271515	0	50	-1.0	-43.37	383.39	9.71	-33.66
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020271515	1	50	-1.0	-43.41	383.42	9.69	-33.72
CCC(O)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020271516	0	45	-1.0	-41.01	344.46	3.21	-37.80
CCC(O)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020271516	1	45	-1.0	-41.01	344.52	3.22	-37.79
CCC(O)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020271517	0	49	-1.0	-43.11	376.42	5.49	-37.62
CCC(O)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020271517	1	49	-1.0	-43.08	376.44	5.49	-37.59
CCN(CCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC	REAL300020271518	0	45	-1.0	-44.01	346.09	2.73	-41.28
CCN(CCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC	REAL300020271518	1	45	-1.0	-44.00	346.14	2.74	-41.26
CCN(CCCCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC	REAL300020271519	0	49	-1.0	-45.54	383.33	4.97	-40.57
CCN(CCCCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC	REAL300020271519	1	49	-1.0	-45.54	383.37	4.96	-40.58
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020271520	0	47	-1.0	-47.64	380.16	9.88	-37.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020271520	1	47	-1.0	-47.64	380.10	9.86	-37.78
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020271521	0	44	-1.0	-51.66	358.42	9.24	-42.42
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020271521	1	44	-1.0	-51.64	358.36	9.22	-42.42
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020271522	0	41	-1.0	-42.78	342.54	5.16	-37.62
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020271522	1	41	-1.0	-42.77	342.60	5.18	-37.59
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020271523	0	38	-1.0	-43.68	319.31	4.34	-39.34
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020271523	1	38	-1.0	-43.69	319.26	4.32	-39.37
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020271524	0	45	-1.0	-45.33	371.27	6.88	-38.45
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020271524	1	45	-1.0	-45.30	371.30	6.87	-38.43
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020271525	0	47	-1.0	-48.18	376.75	6.45	-41.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020271525	1	47	-1.0	-48.18	376.80	6.47	-41.71
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020271526	0	44	-1.0	-51.58	358.21	5.77	-45.81
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020271526	1	44	-1.0	-51.58	358.27	5.79	-45.79
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020271527	0	51	-1.0	-49.83	405.97	8.55	-41.28
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020271527	1	51	-1.0	-49.87	405.99	8.54	-41.33
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020271528	0	46	-1.0	-44.47	372.23	7.90	-36.57
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020271528	1	46	-1.0	-44.45	372.29	7.92	-36.53
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020271529	0	43	-1.0	-49.31	341.14	7.58	-41.73
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020271529	1	43	-1.0	-49.32	341.20	7.60	-41.72
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020271530	0	51	-1.0	-51.22	390.07	1.49	-49.73
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020271530	1	51	-1.0	-51.23	390.12	1.51	-49.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020271531	0	48	-1.0	-53.90	367.80	1.08	-52.82
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020271531	1	48	-1.0	-53.87	367.86	1.11	-52.76
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020271532	0	48	-1.0	-45.40	386.66	7.68	-37.72
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020271532	1	48	-1.0	-45.41	386.72	7.69	-37.72
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020271533	0	45	-1.0	-49.56	364.54	6.81	-42.75
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020271533	1	45	-1.0	-49.52	364.58	6.84	-42.68
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020271534	0	52	-1.0	-48.40	411.50	9.43	-38.97
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020271534	1	52	-1.0	-48.35	411.51	9.42	-38.93
CCN(CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC)C1=CC=CC=C1	REAL300020271535	0	56	-1.0	-40.49	447.55	10.28	-30.21
CCN(CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC)C1=CC=CC=C1	REAL300020271535	1	56	-1.0	-40.51	447.61	10.29	-30.22
CCN(CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC)C1=CC=CC=C1	REAL300020271536	0	53	-1.0	-42.68	421.92	9.55	-33.13
CCN(CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC)C1=CC=CC=C1	REAL300020271536	1	53	-1.0	-42.69	421.98	9.57	-33.12
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020271537	0	46	-1.0	-41.71	372.72	8.37	-33.34
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020271537	1	46	-1.0	-41.73	372.77	8.39	-33.34
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020271538	0	43	-1.0	-45.00	346.81	7.41	-37.59
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020271538	1	43	-1.0	-44.96	346.76	7.39	-37.57
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020271539	0	40	-1.0	-48.14	344.46	1.19	-46.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020271539	1	40	-1.0	-48.11	344.51	1.21	-46.90
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020271540	0	37	-1.0	-47.39	315.23	0.75	-46.64
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020271540	1	37	-1.0	-47.37	315.17	0.74	-46.63
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020271541	0	44	-1.0	-49.81	369.29	3.45	-46.36
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020271541	1	44	-1.0	-49.71	369.32	3.44	-46.27
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Br)C=C2C1	REAL300020271542	0	40	-1.0	-44.64	343.23	7.13	-37.51
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Br)C=C2C1	REAL300020271542	1	40	-1.0	-44.63	343.29	7.15	-37.48
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020271543	0	45	-1.0	-41.75	364.66	3.53	-38.22
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020271543	1	45	-1.0	-41.79	364.72	3.54	-38.25
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020271544	0	42	-1.0	-41.79	343.15	2.74	-39.05
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020271544	1	42	-1.0	-41.73	343.21	2.77	-38.96
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020271545	0	49	-1.0	-43.86	385.78	5.61	-38.25
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020271545	1	49	-1.0	-43.84	385.83	5.61	-38.23
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020271546	0	40	-1.0	-39.89	327.78	7.15	-32.74
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020271546	1	40	-1.0	-39.85	327.84	7.17	-32.68
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020271547	0	44	-1.0	-43.44	351.11	9.29	-34.15
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020271547	1	44	-1.0	-43.46	351.13	9.28	-34.18
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020271548	0	42	-1.0	-45.99	333.94	5.69	-40.30
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020271548	1	42	-1.0	-46.03	333.99	5.68	-40.35
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020271549	0	46	-1.0	-48.92	363.31	2.13	-46.79
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020271549	1	46	-1.0	-48.97	363.37	2.15	-46.82
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020271550	0	43	-1.0	-50.82	343.56	1.57	-49.25
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020271550	1	43	-1.0	-50.85	343.62	1.60	-49.25
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020271551	0	50	-1.0	-51.92	385.97	4.32	-47.60
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020271551	1	50	-1.0	-51.92	386.01	4.30	-47.62
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)N(C)C2=CC=CC=N2)C1	REAL300020271552	0	52	-1.0	-59.77	410.88	7.53	-52.24
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)N(C)C2=CC=CC=N2)C1	REAL300020271552	1	52	-1.0	-59.76	410.82	7.51	-52.25
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020271553	0	45	-1.0	-42.52	372.48	6.71	-35.81
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020271553	1	45	-1.0	-42.53	372.54	6.72	-35.81
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020271554	0	42	-1.0	-43.36	350.49	6.17	-37.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020271554	1	42	-1.0	-43.34	350.55	6.20	-37.14
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(F)C=C2C(=O)OC)C1	REAL300020271555	0	46	-1.0	-45.13	381.84	8.15	-36.98
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(F)C=C2C(=O)OC)C1	REAL300020271555	1	46	-1.0	-45.14	381.90	8.18	-36.96
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020271556	0	52	-1.0	-47.59	421.19	7.73	-39.86
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020271556	1	52	-1.0	-47.58	421.25	7.74	-39.84
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020271557	0	49	-1.0	-49.55	400.29	7.01	-42.54
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020271557	1	49	-1.0	-49.51	400.35	7.04	-42.47
CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020271558	0	45	-1.0	-43.67	367.96	9.69	-33.98
CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020271558	1	45	-1.0	-43.66	367.90	9.68	-33.98
CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020271559	0	42	-1.0	-46.38	350.85	8.89	-37.49
CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020271559	1	42	-1.0	-46.38	350.80	8.86	-37.52
CCN1C(NC2=NN(CC(C)C)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020271560	0	49	-1.0	-45.61	396.28	11.65	-33.96
CCN1C(NC2=NN(CC(C)C)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020271560	1	49	-1.0	-45.58	396.22	11.65	-33.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)C[C@H](C(F)(F)F)C1	REAL300020271561	0	45	-1.0	-44.64	381.43	6.98	-37.66
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)C[C@H](C(F)(F)F)C1	REAL300020271561	1	45	-1.0	-44.67	381.49	7.00	-37.67
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020271562	0	46	-1.0	-49.45	371.08	4.33	-45.12
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020271562	1	46	-1.0	-49.44	371.14	4.34	-45.10
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020271563	0	43	-1.0	-50.66	352.38	3.47	-47.19
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020271563	1	43	-1.0	-50.67	352.44	3.49	-47.18
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020271564	0	50	-1.0	-51.00	400.87	6.35	-44.65
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020271564	1	50	-1.0	-50.98	400.91	6.34	-44.64
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020271565	0	42	-1.0	-43.36	331.08	3.86	-39.50
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020271565	1	42	-1.0	-43.32	331.13	3.88	-39.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020271566	0	39	-1.0	-42.38	309.63	3.05	-39.33
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020271566	1	39	-1.0	-42.41	309.69	3.08	-39.33
CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020271567	0	46	-1.0	-43.62	361.38	6.00	-37.62
CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020271567	1	46	-1.0	-43.62	361.41	5.99	-37.63
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020271568	0	51	-1.0	-43.09	395.10	7.65	-35.44
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020271568	1	51	-1.0	-43.10	395.16	7.66	-35.44
CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020271569	0	48	-1.0	-45.23	372.95	7.11	-38.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020271569	1	48	-1.0	-45.23	373.01	7.13	-38.10
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C(=O)OC)C1	REAL300020271570	0	52	-1.0	-43.18	407.80	8.92	-34.26
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C(=O)OC)C1	REAL300020271570	1	52	-1.0	-43.21	407.85	8.93	-34.28
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C(=O)OC)C1	REAL300020271571	0	49	-1.0	-44.76	385.70	8.38	-36.38
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C(=O)OC)C1	REAL300020271571	1	49	-1.0	-44.78	385.76	8.41	-36.37
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271572	0	52	-1.0	-41.24	426.41	11.69	-29.55
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271572	1	52	-1.0	-41.26	426.47	11.71	-29.55
CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271573	0	49	-1.0	-42.53	411.20	10.83	-31.70
CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271573	1	49	-1.0	-42.52	411.14	10.81	-31.71
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1)C1CCCCC1	REAL300020271574	0	55	-1.0	-41.38	432.28	10.38	-31.00
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1)C1CCCCC1	REAL300020271574	1	55	-1.0	-41.33	432.34	10.39	-30.94
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1)C1CCCCC1	REAL300020271575	0	52	-1.0	-43.72	406.14	10.29	-33.43
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1)C1CCCCC1	REAL300020271575	1	52	-1.0	-43.70	406.08	10.27	-33.43
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CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271577	0	54	-1.0	-44.56	420.70	10.06	-34.50
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CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1)C(C)C	REAL300020271581	0	51	-1.0	-40.94	406.78	9.84	-31.10
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1)C(C)C	REAL300020271581	1	51	-1.0	-40.93	406.84	9.85	-31.08
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CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1)C(C)C	REAL300020271582	1	48	-1.0	-43.62	385.29	9.05	-34.57
OCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271583	0	53	-1.0	-42.55	425.47	7.34	-35.21
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CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271587	0	58	-1.0	-43.19	449.84	10.85	-32.34
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271587	1	58	-1.0	-43.15	449.90	10.87	-32.28
CC1CCCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271588	0	58	-1.0	-41.92	424.90	11.18	-30.74
CC1CCCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271588	1	58	-1.0	-41.92	424.95	11.20	-30.72
CC1CCCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271589	0	55	-1.0	-43.62	427.35	10.98	-32.64
CC1CCCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271589	1	55	-1.0	-43.59	427.28	10.95	-32.64
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271590	0	52	-1.0	-41.38	417.39	10.42	-30.96
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271590	1	52	-1.0	-41.37	417.45	10.44	-30.93
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271591	0	49	-1.0	-43.85	397.61	9.71	-34.14
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271591	1	49	-1.0	-43.87	397.55	9.69	-34.18
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1C	REAL300020271592	0	52	-1.0	-42.52	403.88	10.31	-32.21
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1C	REAL300020271592	1	52	-1.0	-42.54	403.94	10.33	-32.21
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1C	REAL300020271593	0	49	-1.0	-43.04	391.64	8.75	-34.29
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1C	REAL300020271593	1	49	-1.0	-43.03	391.59	8.73	-34.30
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CC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271598	0	55	-1.0	-43.13	424.64	10.01	-33.12
CC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271598	1	55	-1.0	-43.16	424.57	9.99	-33.17
CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271599	0	49	-1.0	-42.85	421.44	10.52	-32.33
CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271599	1	49	-1.0	-42.88	421.38	10.49	-32.39
C1=CC=C(CCN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCCC32)C=C1	REAL300020271600	0	50	-1.0	-42.54	392.51	8.85	-33.69
C1=CC=C(CCN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCCC32)C=C1	REAL300020271600	1	50	-1.0	-42.54	392.57	8.86	-33.68
C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCCC32)C=C1	REAL300020271601	0	47	-1.0	-45.52	368.46	7.93	-37.59
C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCCC32)C=C1	REAL300020271601	1	47	-1.0	-45.54	368.40	7.92	-37.62
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271602	0	58	-1.0	-44.08	430.09	11.80	-32.28
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271602	1	58	-1.0	-44.06	430.15	11.81	-32.25
C#CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271603	0	47	-1.0	-39.63	393.21	9.74	-29.89
C#CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271603	1	47	-1.0	-39.64	393.26	9.75	-29.89
C#CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271604	0	44	-1.0	-41.73	371.76	8.98	-32.75
C#CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271604	1	44	-1.0	-41.67	371.70	8.95	-32.72
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC1=CC=CC=C1	REAL300020271605	0	51	-1.0	-41.73	415.19	11.75	-29.98
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CC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271606	0	58	-1.0	-39.80	435.71	12.42	-27.38
CC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271606	1	58	-1.0	-39.81	435.77	12.44	-27.37
CC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271607	0	55	-1.0	-42.26	408.58	10.76	-31.50
CC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271607	1	55	-1.0	-42.27	408.53	10.73	-31.54
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271608	0	50	-1.0	-43.92	411.00	11.24	-32.68
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CN(CCCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271609	1	55	-1.0	-43.18	437.30	7.59	-35.59
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CC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271611	0	55	-1.0	-41.35	429.06	9.96	-31.39
CC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271611	1	55	-1.0	-41.37	429.11	9.97	-31.40
CC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271612	0	52	-1.0	-44.30	411.25	9.48	-34.82
CC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271612	1	52	-1.0	-44.29	411.19	9.46	-34.83
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C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271613	1	53	-1.0	-41.84	437.39	10.77	-31.07
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271614	0	50	-1.0	-43.41	414.41	10.31	-33.10
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COC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271783	0	52	-1.0	-45.22	423.38	9.62	-35.60
COC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271783	1	52	-1.0	-45.21	423.32	9.59	-35.62
COCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271784	0	56	-1.0	-43.34	438.24	9.35	-33.99
COCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271784	1	56	-1.0	-43.36	438.30	9.37	-33.99
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC(C2CC2)O1	REAL300020271785	0	54	-1.0	-43.07	431.85	10.07	-33.00
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC(C2CC2)O1	REAL300020271785	1	54	-1.0	-43.09	431.90	10.09	-33.00
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C[C@H](C)O1	REAL300020271786	0	53	-1.0	-40.82	430.78	9.01	-31.81
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C[C@H](C)O1	REAL300020271786	1	53	-1.0	-40.83	430.84	9.03	-31.80
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C[C@H](C)O1	REAL300020271787	0	50	-1.0	-42.72	408.62	8.45	-34.27
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C[C@H](C)O1	REAL300020271787	1	50	-1.0	-42.70	408.57	8.44	-34.26
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC(C)(C)O1	REAL300020271788	0	56	-1.0	-41.37	440.15	9.97	-31.40
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC(C)(C)O1	REAL300020271788	1	56	-1.0	-41.40	440.21	9.98	-31.42
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC(C)(C)O1	REAL300020271789	0	53	-1.0	-43.59	418.91	9.21	-34.38
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC(C)(C)O1	REAL300020271789	1	53	-1.0	-43.55	418.85	9.18	-34.37
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CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C=C1	REAL300020271790	1	52	-1.0	-42.56	432.55	11.48	-31.08
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC(C)O1	REAL300020271791	0	56	-1.0	-41.40	439.56	9.79	-31.61
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC(C)O1	REAL300020271791	1	56	-1.0	-41.43	439.62	9.81	-31.62
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC(C)O1	REAL300020271792	0	53	-1.0	-42.37	424.87	9.48	-32.89
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC(C)O1	REAL300020271792	1	53	-1.0	-42.35	424.82	9.46	-32.89
CN(CCC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271793	0	48	-1.0	-42.47	413.43	9.77	-32.70
CN(CCC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271793	1	48	-1.0	-42.42	413.49	9.79	-32.63
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CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020271799	1	58	-1.0	-41.59	431.39	11.14	-30.45
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020271800	0	55	-1.0	-43.25	425.95	10.89	-32.36
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020271800	1	55	-1.0	-43.21	425.91	10.86	-32.35
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CC(C)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271804	0	58	-1.0	-42.52	437.99	10.88	-31.64
CC(C)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271804	1	58	-1.0	-42.50	438.06	10.91	-31.59
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271805	0	58	-1.0	-41.49	451.31	11.91	-29.58
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271805	1	58	-1.0	-41.47	451.36	11.93	-29.54
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271806	0	55	-1.0	-44.83	425.58	11.19	-33.64
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COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271808	1	50	-1.0	-44.34	400.09	8.26	-36.08
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CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271845	0	58	0.0	-72.44	447.37	9.53	-62.91
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271845	1	58	0.0	-72.40	447.43	9.54	-62.86
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COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271903	1	51	-1.0	-46.42	423.99	7.85	-38.57
CN(CC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271904	0	54	-1.0	-41.19	419.13	10.86	-30.33
CN(CC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271904	1	54	-1.0	-41.22	419.19	10.88	-30.34
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CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC(C)S1	REAL300020271913	1	50	-1.0	-41.09	417.56	10.23	-30.86
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CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271965	0	52	-1.0	-40.78	413.97	10.62	-30.16
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271965	1	52	-1.0	-40.81	414.03	10.63	-30.18
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271966	0	49	-1.0	-43.77	392.24	10.03	-33.74
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271966	1	49	-1.0	-43.78	392.18	10.02	-33.76
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CCO1	REAL300020271967	0	50	-1.0	-46.60	421.88	8.41	-38.19
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CCO1	REAL300020271967	1	50	-1.0	-46.62	421.94	8.45	-38.17
CN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271968	0	49	-1.0	-43.13	423.93	10.77	-32.36
CN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271968	1	49	-1.0	-43.08	423.87	10.74	-32.34
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271969	0	58	-1.0	-40.34	458.14	11.94	-28.40
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271969	1	58	-1.0	-40.38	458.20	11.95	-28.43
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271970	0	55	-1.0	-43.82	430.63	11.42	-32.40
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271970	1	55	-1.0	-43.80	430.56	11.41	-32.39
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271971	0	53	-1.0	-50.82	435.85	7.49	-43.33
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271971	1	53	-1.0	-50.86	435.91	7.52	-43.34
CN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271972	0	49	-1.0	-41.11	417.12	10.83	-30.28
CN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271972	1	49	-1.0	-41.08	417.17	10.84	-30.24
CN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271973	0	46	-1.0	-42.30	401.90	9.97	-32.33
CN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271973	1	46	-1.0	-42.25	401.84	9.95	-32.30
COC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271974	0	53	-1.0	-41.65	429.48	9.14	-32.51
COC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271974	1	53	-1.0	-41.70	429.54	9.15	-32.55
COC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271975	0	50	-1.0	-45.56	404.55	8.22	-37.34
COC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271975	1	50	-1.0	-45.57	404.49	8.21	-37.36
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271976	0	56	-1.0	-41.70	447.64	9.52	-32.18
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271976	1	56	-1.0	-41.71	447.69	9.53	-32.18
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271977	0	53	-1.0	-44.83	425.69	8.92	-35.91
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271977	1	53	-1.0	-44.85	425.74	8.93	-35.92
O=S1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271978	0	48	-1.0	-45.99	403.24	6.89	-39.10
O=S1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271978	1	48	-1.0	-45.98	403.30	6.91	-39.07
O=S1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271979	0	45	-1.0	-47.65	385.52	6.26	-41.39
O=S1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271979	1	45	-1.0	-47.58	385.46	6.24	-41.34
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271980	0	50	-1.0	-40.26	410.05	10.42	-29.84
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271980	1	50	-1.0	-40.26	410.11	10.43	-29.83
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020271981	0	47	-1.0	-42.48	388.61	9.66	-32.82
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020271981	1	47	-1.0	-42.42	388.55	9.63	-32.79
CN(CC1CCCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271982	0	56	-1.0	-40.28	447.94	9.77	-30.51
CN(CC1CCCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271982	1	56	-1.0	-40.29	448.00	9.78	-30.51
CN(CC1CCCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271983	0	53	-1.0	-44.05	419.82	9.17	-34.88
CN(CC1CCCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271983	1	53	-1.0	-44.07	419.76	9.14	-34.93
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CCO1	REAL300020271984	0	48	-1.0	-45.63	405.17	7.83	-37.80
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CCO1	REAL300020271984	1	48	-1.0	-45.63	405.23	7.85	-37.78
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CCO1	REAL300020271985	0	45	-1.0	-46.57	386.75	7.43	-39.14
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CCO1	REAL300020271985	1	45	-1.0	-46.60	386.70	7.41	-39.19
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271986	0	52	-1.0	-43.60	436.39	9.38	-34.22
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271986	1	52	-1.0	-43.58	436.33	9.36	-34.22
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020271987	0	49	-1.0	-44.07	414.60	8.61	-35.46
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020271987	1	49	-1.0	-44.03	414.54	8.58	-35.45
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271988	0	54	-1.0	-41.45	439.58	9.87	-31.58
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271988	1	54	-1.0	-41.45	439.64	9.89	-31.56
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271989	0	51	-1.0	-42.43	418.14	9.11	-33.32
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271989	1	51	-1.0	-42.44	418.09	9.09	-33.35
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271990	0	52	-1.0	-42.03	408.05	10.03	-32.00
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271990	1	52	-1.0	-41.95	408.11	10.05	-31.90
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271991	0	49	-1.0	-43.19	391.59	9.53	-33.66
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271991	1	49	-1.0	-43.22	391.53	9.50	-33.72
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271992	0	58	-1.0	-40.95	449.77	11.74	-29.21
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271992	1	58	-1.0	-40.93	449.83	11.76	-29.17
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271993	0	55	-1.0	-44.09	428.33	10.98	-33.11
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271993	1	55	-1.0	-44.07	428.28	10.96	-33.11
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271994	0	56	-1.0	-42.93	446.28	9.48	-33.45
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271994	1	56	-1.0	-42.94	446.34	9.49	-33.45
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271995	0	53	-1.0	-45.50	426.63	9.00	-36.50
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271995	1	53	-1.0	-45.49	426.69	9.01	-36.48
C1=CC=C(CCN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(CCC3)C2)C=C1	REAL300020271996	0	56	-1.0	-41.07	437.85	11.67	-29.40
C1=CC=C(CCN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(CCC3)C2)C=C1	REAL300020271996	1	56	-1.0	-41.12	437.91	11.69	-29.43
C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCC3)C2)C=C1	REAL300020271997	0	53	-1.0	-44.70	416.03	11.09	-33.61
C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCC3)C2)C=C1	REAL300020271997	1	53	-1.0	-44.66	415.98	11.07	-33.59
OC1C2CCCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCC1=CC=CC=C1)C2	REAL300020271998	0	54	-1.0	-44.88	416.42	9.21	-35.67
OC1C2CCCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCC1=CC=CC=C1)C2	REAL300020271998	1	54	-1.0	-44.87	416.37	9.19	-35.68
CO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020271999	0	50	-1.0	-42.58	396.79	7.97	-34.61
CO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020271999	1	50	-1.0	-42.60	396.84	7.98	-34.62
CO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272000	0	47	-1.0	-46.10	378.32	7.64	-38.46
CO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020272000	1	47	-1.0	-46.08	378.27	7.63	-38.45
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1C	REAL300020272001	0	55	-1.0	-40.71	424.95	10.64	-30.07
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1C	REAL300020272001	1	55	-1.0	-40.76	425.01	10.65	-30.11
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1C	REAL300020272002	0	52	-1.0	-44.57	389.37	9.42	-35.15
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1C	REAL300020272002	1	52	-1.0	-44.55	389.31	9.39	-35.16
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020272003	0	50	-1.0	-44.07	401.23	8.08	-35.99
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272003	1	50	-1.0	-44.08	401.29	8.10	-35.98
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272004	0	47	-1.0	-46.74	379.22	7.56	-39.18
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020272004	1	47	-1.0	-46.73	379.16	7.55	-39.18
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020272005	0	55	-1.0	-40.44	436.80	11.18	-29.26
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272005	1	55	-1.0	-40.45	436.86	11.20	-29.25
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272006	0	52	-1.0	-42.58	415.21	10.43	-32.15
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020272006	1	52	-1.0	-42.54	415.15	10.40	-32.14
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC(C)(C)C1	REAL300020272007	0	58	-1.0	-40.43	454.81	11.88	-28.55
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC(C)(C)C1	REAL300020272007	1	58	-1.0	-40.41	454.86	11.89	-28.52
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC(C)(C)C1	REAL300020272008	0	55	-1.0	-43.39	429.20	11.17	-32.22
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC(C)(C)C1	REAL300020272008	1	55	-1.0	-43.39	429.15	11.17	-32.22
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272009	0	58	-1.0	-41.54	460.13	12.25	-29.29
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272009	1	58	-1.0	-41.58	460.18	12.27	-29.31
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272010	0	55	-1.0	-42.21	451.04	11.53	-30.68
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272010	1	55	-1.0	-42.23	451.09	11.56	-30.67
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CCS1	REAL300020272011	0	53	-1.0	-40.28	430.05	11.13	-29.15
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CCS1	REAL300020272011	1	53	-1.0	-40.28	430.11	11.14	-29.14
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CCS1	REAL300020272012	0	50	-1.0	-40.82	415.91	10.47	-30.35
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CCS1	REAL300020272012	1	50	-1.0	-40.82	415.85	10.45	-30.37
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1C	REAL300020272013	0	52	-1.0	-41.77	404.73	10.04	-31.73
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1C	REAL300020272013	1	52	-1.0	-41.75	404.79	10.05	-31.70
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1C	REAL300020272014	0	49	-1.0	-43.39	386.44	9.46	-33.93
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1C	REAL300020272014	1	49	-1.0	-43.35	386.38	9.43	-33.92
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CCS1	REAL300020272015	0	53	-1.0	-39.64	431.56	11.15	-28.49
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CCS1	REAL300020272015	1	53	-1.0	-39.65	431.62	11.16	-28.49
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CCS1	REAL300020272016	0	50	-1.0	-41.09	413.39	10.71	-30.38
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CCS1	REAL300020272016	1	50	-1.0	-41.10	413.33	10.69	-30.41
C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3OCCCC3C2)C=C1	REAL300020272017	0	54	-1.0	-43.33	424.47	9.52	-33.81
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COC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272342	0	53	-1.0	-44.25	426.48	8.10	-36.15
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C1=CC=C(CCN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CC=CC[C@@H]3C2)C=C1	REAL300020272345	0	54	-1.0	-42.90	415.30	10.95	-31.95
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C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CC=CC[C@@H]3C2)C=C1	REAL300020272346	1	51	-1.0	-45.62	398.60	10.31	-35.31
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C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CSCC3C2)C=C1	REAL300020272347	1	51	-1.0	-43.64	416.27	10.87	-32.77
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCC3=CC=CC=C3)CCC21	REAL300020272348	0	56	0.0	-68.34	433.74	10.30	-58.04
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C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCC3=CC=CC=C3)CCC21	REAL300020272348	1	56	0.0	-68.28	433.80	10.32	-57.96
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CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC[N@H+]1C	REAL300020272350	1	58	0.0	-64.26	440.40	10.41	-53.85
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC[N@@H+]1C	REAL300020272350	1	58	0.0	-65.12	443.85	10.60	-54.52
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC[N@H+]1C	REAL300020272350	1	58	0.0	-64.24	440.34	10.39	-53.85
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CC1CC(CO)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272354	1	56	-1.0	-42.79	434.30	7.55	-35.24
CC1CC(CO)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272355	0	53	-1.0	-45.10	412.60	6.95	-38.15
CC1CC(CO)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272355	1	53	-1.0	-45.06	412.54	6.92	-38.14
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272356	0	50	-1.0	-49.58	397.67	13.67	-35.91
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C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CCS1	REAL300020272357	0	50	-1.0	-40.45	397.74	9.66	-30.79
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CCS1	REAL300020272357	1	50	-1.0	-40.38	397.79	9.67	-30.71
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CCS1	REAL300020272358	0	47	-1.0	-41.61	392.65	9.62	-31.99
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CCS1	REAL300020272358	1	47	-1.0	-41.61	392.60	9.60	-32.01
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C1=CC=C(CCN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3(C2)OCC2CC23)C=C1	REAL300020272359	1	52	-1.0	-42.49	419.28	8.60	-33.89
C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2CC3(C2)OCC2CC23)C=C1	REAL300020272360	0	49	-1.0	-45.08	397.19	8.07	-37.01
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C1=CC2CC1CN2C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272361	0	48	-1.0	-43.44	382.40	9.83	-33.61
C1=CC2CC1CN2C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272361	1	48	-1.0	-43.45	382.46	9.85	-33.60
C1=CC2CC1CN2C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272362	0	45	-1.0	-44.47	367.85	9.17	-35.30
C1=CC2CC1CN2C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272362	1	45	-1.0	-44.49	367.74	9.12	-35.37
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020272363	0	54	-1.0	-41.03	424.07	12.28	-28.75
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272363	1	54	-1.0	-41.04	424.13	12.29	-28.75
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272364	0	51	-1.0	-43.53	414.58	10.85	-32.68
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FC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020272372	1	46	-1.0	-41.57	382.28	9.25	-32.32
COC1COCCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272373	0	54	-1.0	-44.80	420.46	6.62	-38.18
COC1COCCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272373	1	54	-1.0	-44.78	420.52	6.65	-38.13
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272374	0	58	0.0	-66.39	443.92	11.09	-55.30
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272374	1	58	0.0	-66.22	444.66	10.87	-55.35
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272374	1	57	-1.0	-40.56	438.87	8.49	-32.07
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272374	1	57	-1.0	-40.53	438.93	8.50	-32.03
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272375	0	55	0.0	-71.19	406.76	9.57	-61.62
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272375	1	55	0.0	-64.25	418.90	10.14	-54.11
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272375	1	55	0.0	-71.18	406.70	9.54	-61.64
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1(C)C	REAL300020272375	1	55	0.0	-64.25	418.84	10.12	-54.13
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FC(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CCO1	REAL300020272380	1	47	-1.0	-47.06	399.66	7.74	-39.32
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CC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272382	0	51	-1.0	-47.42	415.43	9.91	-37.51
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CC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272383	1	54	-1.0	-48.58	437.83	10.51	-38.07
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N#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272393	1	50	-1.0	-44.96	417.67	10.23	-34.73
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C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3CCO[C@H]3C2)C=C1	REAL300020272398	1	48	-1.0	-44.96	378.35	7.88	-37.08
FC[C@]12CC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCC1=CC=CC=C1)C2	REAL300020272399	0	53	-1.0	-42.52	418.74	10.78	-31.74
FC[C@]12CC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCC1=CC=CC=C1)C2	REAL300020272399	1	53	-1.0	-42.53	418.80	10.79	-31.74
FC[C@]12CC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCC1=CC=CC=C1)C2	REAL300020272400	0	50	-1.0	-43.88	401.64	10.22	-33.66
FC[C@]12CC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCC1=CC=CC=C1)C2	REAL300020272400	1	50	-1.0	-43.88	401.58	10.19	-33.69
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C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CSC[C@@H]3C2)C=C1	REAL300020272402	0	48	-1.0	-44.63	388.18	9.87	-34.76
C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CSC[C@@H]3C2)C=C1	REAL300020272402	1	48	-1.0	-44.66	388.12	9.84	-34.82
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FC(F)CN(C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1)C1CCC1	REAL300020272403	1	49	-1.0	-43.44	377.10	10.24	-33.20
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020272404	0	53	-1.0	-40.44	426.47	9.06	-31.38
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272404	1	53	-1.0	-40.48	426.53	9.08	-31.40
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272405	0	50	-1.0	-43.32	404.04	8.45	-34.87
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020272405	1	50	-1.0	-43.31	403.98	8.43	-34.88
C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCC3=CC=CC=C3)CCCN2N=N1	REAL300020272406	0	49	-1.0	-44.38	402.71	7.72	-36.66
C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCC3=CC=CC=C3)CCCN2N=N1	REAL300020272406	1	49	-1.0	-44.37	402.65	7.71	-36.66
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020272407	0	58	-1.0	-41.62	438.18	11.31	-30.31
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272407	1	58	-1.0	-41.70	438.24	11.32	-30.38
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272408	0	55	-1.0	-44.12	423.05	10.71	-33.41
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020272408	1	55	-1.0	-44.23	423.07	10.70	-33.53
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1	REAL300020272409	0	54	-1.0	-45.16	435.65	7.91	-37.25
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1	REAL300020272409	1	54	-1.0	-45.18	435.71	7.93	-37.25
CN(CCCF)C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272410	0	48	-1.0	-41.66	389.41	9.49	-32.17
CN(CCCF)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272410	1	48	-1.0	-41.64	389.47	9.50	-32.14
CN(CCCF)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272411	0	45	-1.0	-42.40	380.38	8.79	-33.61
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COC(=O)C[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020272680	0	52	-1.0	-47.54	418.33	9.93	-37.61
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272680	1	52	-1.0	-47.51	418.39	9.96	-37.55
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1(F)F	REAL300020272681	0	49	-1.0	-39.45	404.47	9.93	-29.52
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(F)F	REAL300020272681	1	49	-1.0	-39.48	404.52	9.94	-29.54
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC1(F)F	REAL300020272682	0	46	-1.0	-41.81	379.75	8.95	-32.86
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC1(F)F	REAL300020272682	1	46	-1.0	-41.81	379.69	8.93	-32.88
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CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272686	1	53	-1.0	-42.86	433.43	8.98	-33.88
CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272687	0	50	-1.0	-44.08	410.84	8.48	-35.60
CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020272687	1	50	-1.0	-44.05	410.78	8.45	-35.60
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)[C@H]2COC[C@H]21	REAL300020272688	0	52	-1.0	-44.86	417.50	7.00	-37.86
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)[C@H]2COC[C@H]21	REAL300020272688	1	52	-1.0	-44.83	417.45	6.98	-37.85
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CC(C1CCCO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272689	1	56	-1.0	-41.11	442.53	8.77	-32.34
CC(C1CCCO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272690	0	53	-1.0	-47.66	398.60	9.00	-38.66
CC(C1CCCO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272690	1	53	-1.0	-47.66	398.56	8.98	-38.68
C[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272691	0	49	-1.0	-43.19	383.99	9.19	-34.00
C[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272691	1	49	-1.0	-43.19	384.05	9.21	-33.98
C[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272692	0	46	-1.0	-45.60	356.43	8.54	-37.06
C[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272692	1	46	-1.0	-45.60	356.37	8.53	-37.07
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)CC[C@H]1F	REAL300020272693	0	50	-1.0	-42.00	407.71	8.24	-33.76
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)CC[C@H]1F	REAL300020272693	1	50	-1.0	-42.07	407.76	8.25	-33.82
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272694	0	53	-1.0	-51.87	422.67	6.88	-44.99
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272694	1	53	-1.0	-51.87	422.72	6.90	-44.97
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272695	0	50	-1.0	-54.94	402.98	6.31	-48.63
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272695	1	50	-1.0	-54.88	402.92	6.29	-48.59
C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCCCCCC2)C=C1	REAL300020272696	0	58	-1.0	-44.15	425.90	12.36	-31.79
C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCCCCCC2)C=C1	REAL300020272696	1	58	-1.0	-44.19	425.95	12.38	-31.81
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272697	0	53	-1.0	-42.82	410.99	10.44	-32.38
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272697	1	53	-1.0	-42.82	411.05	10.46	-32.36
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272698	0	50	-1.0	-45.87	389.55	9.68	-36.19
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272698	1	50	-1.0	-45.90	389.49	9.66	-36.24
C[C@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272699	0	50	-1.0	-40.56	399.81	8.60	-31.96
C[C@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272699	1	50	-1.0	-40.60	399.87	8.61	-31.99
C[C@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272700	0	47	-1.0	-42.33	389.94	8.58	-33.75
C[C@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272700	1	47	-1.0	-42.37	389.86	8.56	-33.81
C#CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272701	0	47	-1.0	-43.30	388.60	9.86	-33.44
C#CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272701	1	47	-1.0	-43.26	388.66	9.87	-33.39
C#CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC1=CC=CC=C1	REAL300020272702	0	44	-1.0	-43.37	379.57	9.16	-34.21
C#CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC1=CC=CC=C1	REAL300020272702	1	44	-1.0	-43.37	379.52	9.14	-34.23
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC1=CC=CC=C1	REAL300020272703	0	51	-1.0	-43.98	422.86	12.00	-31.98
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC1=CC=CC=C1	REAL300020272703	1	51	-1.0	-43.96	422.90	11.99	-31.97
FC1(F)CC2CC1N(C1=NN=C(CC3=NN=N[N-]3)N1CCC1=CC=CC=C1)C2	REAL300020272704	0	47	-1.0	-49.55	374.66	8.53	-41.02
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CC(C)CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)=N1	REAL300020272753	1	52	-1.0	-46.55	432.20	12.64	-33.91
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC2=CC=CC=C2)C1	REAL300020272754	0	53	-1.0	-53.72	426.97	7.55	-46.17
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC2=CC=CC=C2)C1	REAL300020272754	1	53	-1.0	-53.73	427.03	7.58	-46.15
C1=CC=C(CCN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3OCCO[C@H]3C2)C=C1	REAL300020272755	0	52	-1.0	-44.04	412.48	7.64	-36.40
C1=CC=C(CCN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3OCCO[C@H]3C2)C=C1	REAL300020272755	1	52	-1.0	-44.04	412.54	7.66	-36.38
C1=CC=C(CCN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3OCCO[C@H]3C2)C=C1	REAL300020272756	0	49	-1.0	-46.93	391.03	6.88	-40.05
C1=CC=C(CCN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3OCCO[C@H]3C2)C=C1	REAL300020272756	1	49	-1.0	-46.92	390.98	6.86	-40.06
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020272757	0	46	-1.0	-40.17	378.64	6.96	-33.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020272757	1	46	-1.0	-40.16	378.69	6.98	-33.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020272758	0	43	-1.0	-42.06	363.46	6.11	-35.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020272758	1	43	-1.0	-42.04	363.41	6.08	-35.96
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020272759	0	50	-1.0	-41.15	405.10	8.91	-32.24
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020272759	1	50	-1.0	-41.16	405.14	8.91	-32.25
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272760	0	52	-1.0	-41.58	403.15	6.97	-34.61
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272760	1	52	-1.0	-41.55	403.21	6.98	-34.57
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272761	0	49	-1.0	-46.98	395.23	6.50	-40.48
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272761	1	49	-1.0	-46.94	395.17	6.48	-40.46
COCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272762	0	53	-1.0	-45.60	425.86	6.20	-39.40
COCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272762	1	53	-1.0	-45.54	425.91	6.22	-39.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020272763	0	56	0.0	-69.17	415.92	7.85	-61.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020272763	1	56	0.0	-67.85	417.70	9.06	-58.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020272763	1	56	0.0	-69.12	415.98	7.87	-61.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020272763	1	56	0.0	-67.83	417.75	9.08	-58.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020272764	0	48	-1.0	-47.78	400.85	4.37	-43.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020272764	1	48	-1.0	-47.78	400.91	4.40	-43.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020272765	0	49	-1.0	-40.56	370.12	6.32	-34.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020272765	1	49	-1.0	-40.49	370.18	6.33	-34.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020272766	0	46	-1.0	-42.92	358.35	5.53	-37.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020272766	1	46	-1.0	-42.96	358.40	5.56	-37.40
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCCC1	REAL300020272767	0	53	-1.0	-40.45	407.70	8.33	-32.12
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCCC1	REAL300020272767	1	53	-1.0	-40.48	407.64	8.32	-32.16
CCSC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020272768	0	53	-1.0	-41.76	427.93	7.22	-34.54
CCSC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020272768	1	53	-1.0	-41.78	427.98	7.24	-34.54
CCSC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020272769	0	50	-1.0	-44.30	409.83	6.78	-37.52
CCSC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020272769	1	50	-1.0	-44.31	409.89	6.80	-37.51
CCSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272770	0	52	-1.0	-39.48	412.04	7.49	-31.99
CCSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272770	1	52	-1.0	-39.50	412.10	7.51	-31.99
CCSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272771	0	49	-1.0	-41.44	403.62	6.88	-34.56
CCSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272771	1	49	-1.0	-41.42	403.67	6.90	-34.52
CCCCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1(C)C	REAL300020272772	0	59	-1.0	-41.53	461.10	7.31	-34.22
CCCCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1(C)C	REAL300020272772	1	59	-1.0	-41.54	461.16	7.34	-34.20
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020272773	0	56	-1.0	-40.85	449.47	9.32	-31.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020272773	1	56	-1.0	-40.87	449.53	9.34	-31.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020272774	0	53	-1.0	-42.94	423.19	8.44	-34.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020272774	1	53	-1.0	-42.96	423.25	8.46	-34.50
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020272775	0	50	-1.0	-39.60	410.87	8.05	-31.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020272775	1	50	-1.0	-39.57	410.93	8.06	-31.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020272776	0	47	-1.0	-44.67	378.70	6.09	-38.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020272776	1	47	-1.0	-44.66	378.76	6.12	-38.54
CCCOC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCOC)CCC2=C1	REAL300020272777	0	54	-1.0	-42.37	434.68	7.80	-34.57
CCCOC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCOC)CCC2=C1	REAL300020272777	1	54	-1.0	-42.40	434.74	7.81	-34.59
COCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1CCC(C)C1	REAL300020272778	0	56	-1.0	-41.02	424.22	5.83	-35.19
COCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1CCC(C)C1	REAL300020272778	1	56	-1.0	-41.05	424.28	5.84	-35.21
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CCC(C)C1	REAL300020272779	0	53	-1.0	-44.89	403.11	5.23	-39.66
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CCC(C)C1	REAL300020272779	1	53	-1.0	-44.89	403.17	5.25	-39.64
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272780	0	51	-1.0	-41.17	396.89	6.05	-35.12
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272780	1	51	-1.0	-41.16	396.94	6.07	-35.09
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272781	0	48	-1.0	-43.56	372.88	5.30	-38.26
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272781	1	48	-1.0	-43.60	372.94	5.32	-38.28
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020272782	0	55	-1.0	-40.91	424.73	8.35	-32.56
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020272782	1	55	-1.0	-40.86	424.76	8.34	-32.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020272783	0	50	-1.0	-42.42	402.36	6.91	-35.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020272783	1	50	-1.0	-42.44	402.42	6.92	-35.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020272784	0	47	-1.0	-47.96	377.42	6.39	-41.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020272784	1	47	-1.0	-47.95	377.38	6.38	-41.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020272785	0	53	-1.0	-40.74	432.51	6.36	-34.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020272785	1	53	-1.0	-40.73	432.57	6.38	-34.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020272786	0	50	-1.0	-43.13	411.07	5.54	-37.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020272786	1	50	-1.0	-43.20	411.13	5.57	-37.63
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020272787	0	53	-1.0	-40.74	411.52	7.25	-33.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020272787	1	53	-1.0	-40.72	411.58	7.26	-33.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020272788	0	50	-1.0	-44.72	398.98	8.42	-36.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020272788	1	50	-1.0	-44.75	398.93	8.40	-36.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020272789	0	52	-1.0	-40.71	427.51	7.16	-33.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020272789	1	52	-1.0	-40.69	427.55	7.18	-33.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020272790	0	49	-1.0	-43.39	411.54	6.58	-36.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020272790	1	49	-1.0	-43.38	411.49	6.56	-36.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020272791	0	49	-1.0	-41.61	391.99	4.18	-37.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020272791	1	49	-1.0	-41.59	392.04	4.19	-37.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020272792	0	46	-1.0	-43.60	373.52	3.50	-40.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020272792	1	46	-1.0	-43.60	373.58	3.53	-40.07
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020272793	0	41	-1.0	-38.96	349.68	4.92	-34.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020272793	1	41	-1.0	-38.96	349.74	4.94	-34.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020272794	0	38	-1.0	-41.42	319.34	4.46	-36.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020272794	1	38	-1.0	-41.40	319.28	4.43	-36.97
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1	REAL300020272795	0	45	-1.0	-40.17	378.07	6.96	-33.21
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1	REAL300020272795	1	45	-1.0	-40.19	378.11	6.95	-33.24
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C(C)C	REAL300020272796	0	45	-1.0	-40.37	361.92	4.01	-36.36
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C(C)C	REAL300020272796	1	45	-1.0	-40.36	361.98	4.02	-36.34
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC)C(C)C	REAL300020272797	0	49	-1.0	-41.24	389.41	5.80	-35.44
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC)C(C)C	REAL300020272797	1	49	-1.0	-41.18	389.45	5.78	-35.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020272798	0	47	-1.0	-41.66	381.35	2.50	-39.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020272798	1	47	-1.0	-41.65	381.40	2.51	-39.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020272799	0	44	-1.0	-44.53	359.84	1.71	-42.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020272799	1	44	-1.0	-44.55	359.89	1.74	-42.81
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020272800	0	51	-1.0	-42.54	397.60	4.56	-37.98
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020272800	1	51	-1.0	-42.54	397.61	4.56	-37.98
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020272801	0	49	-1.0	-39.77	391.06	6.44	-33.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020272801	1	49	-1.0	-39.77	391.12	6.45	-33.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020272802	0	46	-1.0	-42.90	367.21	5.73	-37.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020272802	1	46	-1.0	-42.92	367.16	5.71	-37.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020272803	0	54	-1.0	-44.95	430.90	6.83	-38.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020272803	1	54	-1.0	-44.99	430.96	6.84	-38.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020272804	0	51	-1.0	-43.37	409.65	5.55	-37.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020272804	1	51	-1.0	-43.37	409.71	5.57	-37.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020272805	0	48	-1.0	-44.90	393.45	4.00	-40.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020272805	1	48	-1.0	-44.93	393.51	4.02	-40.91
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020272806	0	49	-1.0	-42.16	398.89	7.57	-34.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020272806	1	49	-1.0	-42.22	398.95	7.59	-34.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020272807	0	46	-1.0	-45.76	384.23	6.30	-39.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020272807	1	46	-1.0	-45.74	384.19	6.28	-39.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020272808	0	54	-1.0	-41.17	443.71	8.62	-32.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020272808	1	54	-1.0	-41.17	443.76	8.64	-32.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020272809	0	51	-1.0	-40.44	399.43	4.75	-35.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020272809	1	51	-1.0	-40.45	399.51	4.76	-35.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020272810	0	48	-1.0	-42.32	387.39	4.46	-37.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020272810	1	48	-1.0	-42.31	387.45	4.48	-37.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020272811	0	47	-1.0	-41.34	410.53	7.81	-33.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020272811	1	47	-1.0	-41.33	410.58	7.83	-33.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020272812	0	47	-1.0	-40.60	397.00	7.20	-33.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020272812	1	47	-1.0	-40.62	397.03	7.22	-33.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020272813	0	50	-1.0	-40.87	425.41	8.25	-32.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020272813	1	50	-1.0	-40.88	425.47	8.26	-32.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020272814	0	47	-1.0	-41.10	399.64	7.44	-33.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020272814	1	47	-1.0	-41.11	399.60	7.42	-33.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020272815	0	54	-1.0	-41.50	436.81	7.68	-33.82
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020272815	1	54	-1.0	-41.51	436.87	7.70	-33.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020272816	0	51	-1.0	-44.47	415.32	6.90	-37.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020272816	1	51	-1.0	-44.47	415.38	6.92	-37.55
CCC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C2CC2)C=C1	REAL300020272817	0	56	-1.0	-39.77	449.59	9.26	-30.51
CCC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C2CC2)C=C1	REAL300020272817	1	56	-1.0	-39.80	449.65	9.27	-30.53
CCC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C2CC2)C=C1	REAL300020272818	0	53	-1.0	-42.63	436.67	8.73	-33.90
CCC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C2CC2)C=C1	REAL300020272818	1	53	-1.0	-42.60	436.73	8.75	-33.85
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020272819	0	47	-1.0	-39.29	374.28	6.95	-32.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020272819	1	47	-1.0	-39.35	374.33	6.97	-32.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020272820	0	44	-1.0	-43.60	370.31	5.65	-37.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020272820	1	44	-1.0	-43.66	370.26	5.62	-38.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020272821	0	49	-1.0	-41.61	412.36	7.86	-33.75
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020272821	1	49	-1.0	-41.59	412.42	7.87	-33.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020272822	0	46	-1.0	-43.22	394.14	6.33	-36.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020272822	1	46	-1.0	-43.22	394.19	6.35	-36.87
CCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020272823	0	55	-1.0	-40.14	416.52	6.64	-33.50
CCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020272823	1	55	-1.0	-40.17	416.58	6.65	-33.52
CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020272824	0	52	-1.0	-43.88	389.34	5.85	-38.03
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020272824	1	52	-1.0	-43.88	389.40	5.87	-38.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020272825	0	52	-1.0	-39.55	389.86	6.61	-32.94
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020272825	1	52	-1.0	-39.56	389.92	6.62	-32.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020272826	0	49	-1.0	-43.85	362.43	5.90	-37.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020272826	1	49	-1.0	-43.84	362.48	5.93	-37.91
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC(C)C1	REAL300020272827	0	56	-1.0	-41.33	422.74	8.90	-32.43
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC(C)C1	REAL300020272827	1	56	-1.0	-41.30	422.76	8.89	-32.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020272828	0	49	-1.0	-39.20	419.75	7.59	-31.61
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020272828	1	49	-1.0	-39.15	419.81	7.60	-31.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020272829	0	46	-1.0	-41.28	398.32	6.77	-34.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020272829	1	46	-1.0	-41.34	398.37	6.79	-34.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020272830	0	46	-1.0	-40.36	369.95	5.71	-34.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020272830	1	46	-1.0	-40.38	370.00	5.72	-34.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020272831	0	43	-1.0	-43.18	349.85	5.00	-38.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020272831	1	43	-1.0	-43.18	349.79	4.97	-38.21
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020272832	0	50	-1.0	-44.05	406.01	7.44	-36.61
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020272832	1	50	-1.0	-44.07	406.03	7.43	-36.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C	REAL300020272833	0	46	-1.0	-40.80	351.93	5.47	-35.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C	REAL300020272833	1	46	-1.0	-40.79	351.99	5.48	-35.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C	REAL300020272834	0	43	-1.0	-42.39	343.95	4.02	-38.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C	REAL300020272834	1	43	-1.0	-42.36	343.90	4.00	-38.36
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020272835	0	50	-1.0	-41.67	388.15	7.77	-33.90
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020272835	1	50	-1.0	-41.66	388.18	7.77	-33.89
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1(CC)CC	REAL300020272836	0	59	-1.0	-45.47	435.46	7.76	-37.71
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1(CC)CC	REAL300020272836	1	59	-1.0	-45.45	435.52	7.78	-37.67
CCNS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020272837	0	51	-1.0	-51.12	411.15	1.02	-50.10
CCNS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020272837	1	51	-1.0	-51.14	411.20	1.04	-50.10
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020272838	0	48	-1.0	-53.94	393.14	0.43	-53.51
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020272838	1	48	-1.0	-53.90	393.20	0.46	-53.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020272839	0	49	-1.0	-39.21	409.95	6.54	-32.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020272839	1	49	-1.0	-39.21	410.00	6.56	-32.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020272840	0	46	-1.0	-41.18	388.44	5.76	-35.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020272840	1	46	-1.0	-41.20	388.48	5.78	-35.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020272841	0	49	-1.0	-41.51	400.33	6.87	-34.64
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020272841	1	49	-1.0	-41.51	400.38	6.88	-34.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020272842	0	46	-1.0	-43.71	379.97	6.12	-37.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020272842	1	46	-1.0	-43.73	380.03	6.14	-37.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020272843	0	47	-1.0	-44.31	378.91	6.01	-38.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020272843	1	47	-1.0	-44.33	378.96	6.02	-38.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020272844	0	51	-1.0	-50.99	413.32	1.96	-49.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020272844	1	51	-1.0	-50.95	413.37	1.99	-48.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020272845	0	53	-1.0	-41.18	391.25	5.19	-35.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020272845	1	53	-1.0	-41.20	391.31	5.20	-36.00
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020272846	0	50	-1.0	-42.85	369.07	4.59	-38.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020272846	1	50	-1.0	-42.88	369.12	4.61	-38.27
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C12CCC2	REAL300020272847	0	57	-1.0	-41.64	447.98	6.95	-34.69
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C12CCC2	REAL300020272847	1	57	-1.0	-41.57	448.04	6.96	-34.61
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C12CCC2	REAL300020272848	0	54	-1.0	-41.73	425.99	6.20	-35.53
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C12CCC2	REAL300020272848	1	54	-1.0	-41.73	426.04	6.23	-35.50
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272849	0	59	-1.0	-41.41	440.49	7.55	-33.86
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272849	1	59	-1.0	-41.35	440.55	7.57	-33.78
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272850	0	56	-1.0	-45.41	413.49	6.78	-38.63
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272850	1	56	-1.0	-45.41	413.54	6.81	-38.60
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020272851	0	47	-1.0	-43.66	395.69	7.28	-36.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020272851	1	47	-1.0	-43.63	395.74	7.29	-36.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020272852	0	44	-1.0	-47.92	367.46	5.66	-42.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020272852	1	44	-1.0	-47.94	367.51	5.69	-42.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020272853	0	59	-1.0	-41.50	438.45	8.37	-33.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020272853	1	59	-1.0	-41.50	438.51	8.39	-33.11
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020272854	0	56	-1.0	-43.32	425.64	7.95	-35.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020272854	1	56	-1.0	-43.33	425.69	7.98	-35.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020272855	0	52	-1.0	-42.27	409.35	8.02	-34.25
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020272855	1	52	-1.0	-42.29	409.41	8.03	-34.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020272856	0	49	-1.0	-41.77	391.32	6.65	-35.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020272856	1	49	-1.0	-41.80	391.26	6.63	-35.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020272857	0	49	-1.0	-42.47	405.70	7.40	-35.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020272857	1	49	-1.0	-42.45	405.76	7.41	-35.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020272858	0	46	-1.0	-43.33	390.65	6.35	-36.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020272858	1	46	-1.0	-43.36	390.70	6.37	-36.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020272859	0	47	-1.0	-44.54	391.62	8.62	-35.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020272859	1	47	-1.0	-44.53	391.68	8.64	-35.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020272860	0	47	-1.0	-42.63	388.80	6.77	-35.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020272860	1	47	-1.0	-42.69	388.86	6.80	-35.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020272861	0	47	-1.0	-45.08	398.68	8.39	-36.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020272861	1	47	-1.0	-45.07	398.74	8.41	-36.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020272862	0	56	-1.0	-39.73	407.93	6.66	-33.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020272862	1	56	-1.0	-39.74	407.99	6.68	-33.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020272863	0	53	-1.0	-43.68	400.43	7.86	-35.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020272863	1	53	-1.0	-43.65	400.49	7.89	-35.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020272864	0	53	-1.0	-41.65	419.46	9.23	-32.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020272864	1	53	-1.0	-41.61	419.52	9.25	-32.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020272865	0	50	-1.0	-45.09	397.86	8.64	-36.45
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020272865	1	50	-1.0	-45.09	397.79	8.62	-36.47
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020272866	0	53	-1.0	-42.12	421.32	9.14	-32.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020272866	1	53	-1.0	-42.06	421.37	9.15	-32.91
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020272867	0	50	-1.0	-45.17	403.42	8.57	-36.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020272867	1	50	-1.0	-45.19	403.36	8.54	-36.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020272868	0	47	-1.0	-40.02	397.14	7.07	-32.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020272868	1	47	-1.0	-40.01	397.19	7.08	-32.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020272869	0	44	-1.0	-42.63	373.57	6.47	-36.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020272869	1	44	-1.0	-42.66	373.51	6.44	-36.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020272870	0	52	-1.0	-46.61	415.93	6.75	-39.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020272870	1	52	-1.0	-46.64	415.99	6.76	-39.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020272871	0	49	-1.0	-53.27	394.50	5.99	-47.28
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020272871	1	49	-1.0	-53.29	394.45	5.96	-47.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020272872	0	52	-1.0	-40.01	419.75	7.53	-32.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020272872	1	52	-1.0	-39.95	419.81	7.54	-32.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020272873	0	49	-1.0	-41.89	395.43	6.63	-35.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020272873	1	49	-1.0	-41.86	395.36	6.61	-35.25
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272874	0	52	-1.0	-42.43	413.33	7.96	-34.47
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272874	1	52	-1.0	-42.44	413.39	7.97	-34.47
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272875	0	49	-1.0	-42.18	397.67	7.45	-34.73
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272875	1	49	-1.0	-42.22	397.60	7.43	-34.79
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272876	0	49	-1.0	-39.45	411.38	7.28	-32.17
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272876	1	49	-1.0	-39.50	411.44	7.30	-32.20
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272877	0	46	-1.0	-41.96	389.88	6.49	-35.47
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272877	1	46	-1.0	-41.98	389.93	6.51	-35.47
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272878	0	49	-1.0	-42.44	409.66	7.22	-35.22
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272878	1	49	-1.0	-42.43	409.72	7.23	-35.20
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272879	0	46	-1.0	-46.84	388.44	6.45	-40.39
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272879	1	46	-1.0	-46.86	388.51	6.48	-40.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020272880	0	49	-1.0	-43.04	422.02	7.96	-35.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020272880	1	49	-1.0	-43.03	422.08	7.98	-35.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020272881	0	49	-1.0	-42.64	421.43	8.03	-34.61
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020272881	1	49	-1.0	-42.65	421.45	8.05	-34.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020272882	0	49	-1.0	-40.00	401.16	7.03	-32.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020272882	1	49	-1.0	-40.03	401.22	7.05	-32.98
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C(C)C	REAL300020272883	0	54	-1.0	-40.91	418.64	6.61	-34.30
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C(C)C	REAL300020272883	1	54	-1.0	-40.90	418.70	6.63	-34.27
CCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C(C)C	REAL300020272884	0	51	-1.0	-44.07	397.16	5.84	-38.23
CCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C(C)C	REAL300020272884	1	51	-1.0	-44.07	397.22	5.86	-38.21
CCCCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC)C(C)C	REAL300020272885	0	58	-1.0	-41.80	447.37	8.60	-33.20
CCCCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC)C(C)C	REAL300020272885	1	58	-1.0	-41.70	447.39	8.58	-33.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020272886	0	49	-1.0	-49.30	404.79	6.41	-42.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020272886	1	49	-1.0	-49.31	404.84	6.44	-42.87
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272887	0	49	-1.0	-40.02	410.87	7.26	-32.76
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272887	1	49	-1.0	-40.00	410.93	7.27	-32.73
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272888	0	46	-1.0	-42.14	394.05	7.59	-34.55
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272888	1	46	-1.0	-42.16	394.10	7.61	-34.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020272889	0	49	-1.0	-39.22	396.95	7.01	-32.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020272889	1	49	-1.0	-39.23	397.01	7.03	-32.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020272890	0	46	-1.0	-42.27	375.13	6.28	-35.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020272890	1	46	-1.0	-42.30	375.08	6.26	-36.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020272891	0	51	-1.0	-41.55	413.86	3.24	-38.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020272891	1	51	-1.0	-41.50	413.91	3.26	-38.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020272892	0	48	-1.0	-44.08	386.44	2.55	-41.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020272892	1	48	-1.0	-44.11	386.50	2.57	-41.54
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020272893	0	46	-1.0	-51.00	381.31	1.22	-49.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020272893	1	46	-1.0	-50.98	381.37	1.24	-49.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020272894	0	43	-1.0	-46.83	352.44	1.15	-45.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020272894	1	43	-1.0	-46.83	352.50	1.17	-45.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020272895	0	53	-1.0	-42.78	439.94	6.12	-36.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020272895	1	53	-1.0	-42.78	439.99	6.13	-36.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020272896	0	50	-1.0	-45.15	418.50	5.34	-39.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020272896	1	50	-1.0	-45.19	418.56	5.36	-39.83
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1CCS(=O)(=O)C1	REAL300020272897	0	49	-1.0	-49.74	388.05	2.27	-47.47
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1CCS(=O)(=O)C1	REAL300020272897	1	49	-1.0	-49.73	388.11	2.29	-47.44
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CCS(=O)(=O)C1	REAL300020272898	0	46	-1.0	-48.03	366.97	1.80	-46.23
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CCS(=O)(=O)C1	REAL300020272898	1	46	-1.0	-48.11	367.03	1.82	-46.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020272899	0	53	-1.0	-42.04	430.42	6.26	-35.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020272899	1	53	-1.0	-42.00	430.49	6.28	-35.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020272900	0	53	-1.0	-42.35	428.02	6.05	-36.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020272900	1	53	-1.0	-42.40	428.07	6.07	-36.33
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272901	0	53	-1.0	-44.67	435.12	6.28	-38.39
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272901	1	53	-1.0	-44.66	435.18	6.30	-38.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020272902	0	52	-1.0	-40.19	398.36	6.06	-34.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020272902	1	52	-1.0	-40.17	398.42	6.07	-34.10
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020272903	0	49	-1.0	-42.25	376.84	5.26	-36.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020272903	1	49	-1.0	-42.26	376.91	5.29	-36.97
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC(C)CC1	REAL300020272904	0	56	-1.0	-41.25	421.42	8.66	-32.59
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC(C)CC1	REAL300020272904	1	56	-1.0	-41.26	421.47	8.65	-32.61
CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272905	0	46	-1.0	-39.39	395.16	6.57	-32.82
CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272905	1	46	-1.0	-39.40	395.21	6.58	-32.82
CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272906	0	43	-1.0	-42.08	373.71	5.80	-36.28
CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272906	1	43	-1.0	-42.14	373.65	5.77	-36.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020272907	0	52	-1.0	-44.20	425.06	5.01	-39.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020272907	1	52	-1.0	-44.18	425.11	5.02	-39.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020272908	0	49	-1.0	-44.16	406.22	5.22	-38.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020272908	1	49	-1.0	-44.12	406.27	5.25	-38.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020272909	0	48	-1.0	-48.44	414.14	7.59	-40.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020272909	1	48	-1.0	-48.45	414.19	7.61	-40.84
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020272910	0	52	-1.0	-43.55	434.78	4.70	-38.85
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020272910	1	52	-1.0	-43.57	434.84	4.71	-38.86
C#CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020272911	0	49	-1.0	-44.98	413.27	3.91	-41.07
C#CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020272911	1	49	-1.0	-44.99	413.33	3.94	-41.05
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272912	0	51	-1.0	-52.61	408.44	3.41	-49.20
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272912	1	51	-1.0	-52.63	408.50	3.43	-49.20
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272913	0	48	-1.0	-52.61	400.09	2.81	-49.80
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272913	1	48	-1.0	-52.57	400.13	2.82	-49.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020272914	0	51	-1.0	-52.96	396.03	2.86	-50.10
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020272914	1	51	-1.0	-52.96	396.09	2.88	-50.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020272915	0	48	-1.0	-51.70	390.89	2.32	-49.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020272915	1	48	-1.0	-51.77	390.93	2.34	-49.43
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020272916	0	50	-1.0	-42.74	402.02	7.22	-35.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020272916	1	50	-1.0	-42.80	402.08	7.24	-35.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020272917	0	47	-1.0	-43.95	384.27	6.59	-37.36
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020272917	1	47	-1.0	-43.95	384.21	6.57	-37.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020272918	0	44	-1.0	-41.15	344.78	4.12	-37.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020272918	1	44	-1.0	-41.17	344.84	4.14	-37.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020272919	0	41	-1.0	-42.04	333.81	4.74	-37.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020272919	1	41	-1.0	-42.03	333.75	4.72	-37.31
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC21	REAL300020272920	0	48	-1.0	-42.08	373.09	6.03	-36.05
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC21	REAL300020272920	1	48	-1.0	-42.07	373.14	6.02	-36.05
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272921	0	52	-1.0	-43.77	414.33	7.61	-36.16
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272921	1	52	-1.0	-43.78	414.39	7.61	-36.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020272922	0	50	-1.0	-43.88	410.18	8.03	-35.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020272922	1	50	-1.0	-43.86	410.23	8.05	-35.81
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020272923	0	58	-1.0	-39.56	424.86	7.48	-32.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020272923	1	58	-1.0	-39.57	424.92	7.49	-32.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020272924	0	55	-1.0	-41.72	403.05	6.84	-34.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020272924	1	55	-1.0	-41.75	403.11	6.86	-34.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020272925	0	55	-1.0	-39.26	404.65	7.64	-31.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020272925	1	55	-1.0	-39.31	404.71	7.66	-31.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020272926	0	52	-1.0	-41.17	387.90	6.98	-34.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020272926	1	52	-1.0	-41.17	387.96	7.01	-34.16
C#CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272927	0	41	-1.0	-39.09	345.47	5.00	-34.09
C#CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272927	1	41	-1.0	-39.10	345.52	5.02	-34.08
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020272928	0	45	-1.0	-40.79	369.05	7.10	-33.69
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020272928	1	45	-1.0	-40.73	369.09	7.08	-33.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020272929	0	57	0.0	-65.54	423.58	5.52	-60.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020272929	1	57	0.0	-68.22	428.06	5.11	-63.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020272929	1	57	0.0	-65.56	423.64	5.54	-60.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020272929	1	57	0.0	-68.26	428.11	5.14	-63.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020272930	0	51	-1.0	-44.31	408.57	5.88	-38.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020272930	1	51	-1.0	-44.29	408.62	5.90	-38.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020272931	0	48	-1.0	-44.75	388.33	6.03	-38.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020272931	1	48	-1.0	-44.71	388.27	6.01	-38.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020272932	0	52	-1.0	-38.60	390.49	7.81	-30.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020272932	1	52	-1.0	-38.63	390.54	7.83	-30.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020272933	0	49	-1.0	-41.21	361.09	6.02	-35.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020272933	1	49	-1.0	-41.18	361.15	6.05	-35.13
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020272934	0	56	-1.0	-39.64	422.45	9.88	-29.76
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020272934	1	56	-1.0	-39.65	422.52	9.88	-29.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020272935	0	47	-1.0	-43.11	402.74	3.65	-39.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020272935	1	47	-1.0	-43.14	402.79	3.68	-39.46
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272936	0	56	-1.0	-44.98	426.20	8.25	-36.73
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272936	1	56	-1.0	-45.01	426.26	8.27	-36.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020272937	0	56	-1.0	-40.38	439.34	8.51	-31.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020272937	1	56	-1.0	-40.35	439.40	8.53	-31.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020272938	0	53	-1.0	-43.34	422.64	7.85	-35.49
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020272938	1	53	-1.0	-43.34	422.70	7.87	-35.47
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020272939	0	53	-1.0	-40.99	415.01	8.51	-32.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020272939	1	53	-1.0	-40.98	415.07	8.52	-32.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020272940	0	50	-1.0	-44.99	390.56	7.56	-37.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020272940	1	50	-1.0	-44.92	390.63	7.59	-37.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020272941	0	56	-1.0	-42.36	442.42	9.83	-32.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020272941	1	56	-1.0	-42.42	442.47	9.85	-32.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020272942	0	53	-1.0	-45.48	419.27	9.32	-36.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020272942	1	53	-1.0	-45.47	419.22	9.29	-36.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020272943	0	59	-1.0	-38.47	417.18	9.46	-29.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020272943	1	59	-1.0	-38.48	417.23	9.47	-29.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020272944	0	56	-1.0	-42.53	408.95	7.67	-34.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020272944	1	56	-1.0	-42.55	409.00	7.69	-34.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020272945	0	47	-1.0	-40.23	374.06	5.80	-34.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020272945	1	47	-1.0	-40.24	374.11	5.82	-34.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020272946	0	44	-1.0	-43.24	363.28	6.51	-36.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020272946	1	44	-1.0	-43.23	363.21	6.48	-36.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020272947	0	49	-1.0	-41.77	394.63	3.01	-38.76
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020272947	1	49	-1.0	-41.81	394.69	3.03	-38.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020272948	0	46	-1.0	-43.51	380.41	2.11	-41.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020272948	1	46	-1.0	-43.51	380.47	2.14	-41.37
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCCCO	REAL300020272949	0	53	-1.0	-42.21	430.28	4.90	-37.31
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCCCO	REAL300020272949	1	53	-1.0	-42.17	430.33	4.89	-37.28
COCCN(CC1=CC=C(C)O1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272950	0	53	-1.0	-40.94	434.53	5.54	-35.40
COCCN(CC1=CC=C(C)O1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272950	1	53	-1.0	-40.97	434.59	5.55	-35.42
COCCN(CC1=CC=C(C)O1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272951	0	50	-1.0	-42.90	420.99	4.57	-38.33
COCCN(CC1=CC=C(C)O1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272951	1	50	-1.0	-42.95	421.05	4.61	-38.34
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020272952	0	51	-1.0	-42.05	415.58	8.60	-33.45
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020272952	1	51	-1.0	-42.04	415.63	8.62	-33.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020272953	0	48	-1.0	-44.71	390.17	7.34	-37.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020272953	1	48	-1.0	-44.71	390.11	7.32	-37.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020272954	0	49	-1.0	-40.09	389.42	5.57	-34.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020272954	1	49	-1.0	-40.09	389.47	5.59	-34.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020272955	0	46	-1.0	-42.94	364.89	4.61	-38.33
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020272955	1	46	-1.0	-42.97	364.95	4.64	-38.33
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CCC1C	REAL300020272956	0	53	-1.0	-40.77	417.61	7.55	-33.22
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CCC1C	REAL300020272956	1	53	-1.0	-40.76	417.66	7.54	-33.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020272957	0	50	-1.0	-41.86	394.00	6.69	-35.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020272957	1	50	-1.0	-41.86	394.06	6.70	-35.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020272958	0	47	-1.0	-43.67	376.60	6.73	-36.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020272958	1	47	-1.0	-43.64	376.54	6.70	-36.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020272959	0	56	-1.0	-45.13	441.87	9.10	-36.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020272959	1	56	-1.0	-45.11	441.93	9.13	-35.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020272960	0	59	-1.0	-43.38	441.15	8.49	-34.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020272960	1	59	-1.0	-43.41	441.21	8.52	-34.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020272961	0	50	-1.0	-49.24	410.00	6.17	-43.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020272961	1	50	-1.0	-49.23	410.06	6.19	-43.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020272962	0	56	-1.0	-47.44	444.20	4.00	-43.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020272962	1	56	-1.0	-47.47	444.25	4.02	-43.45
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020272963	0	53	-1.0	-48.82	422.96	3.19	-45.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020272963	1	53	-1.0	-48.87	423.02	3.22	-45.65
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272964	0	47	-1.0	-39.10	383.05	6.44	-32.66
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272964	1	47	-1.0	-39.04	383.11	6.46	-32.58
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272965	0	44	-1.0	-41.60	361.61	5.68	-35.92
C=CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272965	1	44	-1.0	-41.58	361.55	5.66	-35.92
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020272966	0	51	-1.0	-41.90	406.39	7.93	-33.97
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020272966	1	51	-1.0	-41.85	406.43	7.93	-33.92
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020272967	0	50	-1.0	-41.94	421.41	6.94	-35.00
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020272967	1	50	-1.0	-41.91	421.46	6.96	-34.95
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020272968	0	47	-1.0	-44.44	396.32	6.46	-37.98
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020272968	1	47	-1.0	-44.50	396.38	6.48	-38.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020272969	0	49	-1.0	-47.80	400.10	6.94	-40.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020272969	1	49	-1.0	-47.88	400.16	6.95	-40.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020272970	0	46	-1.0	-47.69	379.37	6.20	-41.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020272970	1	46	-1.0	-47.67	379.31	6.17	-41.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020272971	0	44	-1.0	-42.42	362.00	5.65	-36.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020272971	1	44	-1.0	-42.46	362.05	5.69	-36.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020272972	0	48	-1.0	-50.37	402.81	7.24	-43.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020272972	1	48	-1.0	-50.38	402.86	7.26	-43.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020272973	0	44	-1.0	-44.25	353.08	8.87	-35.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020272973	1	44	-1.0	-44.22	353.14	8.88	-35.34
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020272974	0	41	-1.0	-47.14	331.30	8.29	-38.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020272974	1	41	-1.0	-47.11	331.25	8.27	-38.84
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020272975	0	48	-1.0	-45.12	385.50	10.98	-34.14
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020272975	1	48	-1.0	-45.07	385.54	10.97	-34.10
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020272976	0	46	-1.0	-42.47	380.28	7.89	-34.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020272976	1	46	-1.0	-42.50	380.33	7.91	-34.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020272977	0	43	-1.0	-47.53	362.19	7.26	-40.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020272977	1	43	-1.0	-47.53	362.14	7.24	-40.29
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020272978	0	50	-1.0	-42.90	411.51	9.93	-32.97
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020272978	1	50	-1.0	-42.86	411.55	9.92	-32.94
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020272979	0	46	-1.0	-41.84	376.33	7.77	-34.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020272979	1	46	-1.0	-41.84	376.38	7.78	-34.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020272980	0	43	-1.0	-42.33	355.12	7.25	-35.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020272980	1	43	-1.0	-42.35	355.07	7.24	-35.11
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020272981	0	50	-1.0	-42.79	408.75	9.85	-32.94
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020272981	1	50	-1.0	-42.83	408.79	9.84	-32.99
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020272982	0	49	-1.0	-42.08	397.81	8.41	-33.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020272982	1	49	-1.0	-42.05	397.87	8.43	-33.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020272983	0	46	-1.0	-47.65	383.58	7.91	-39.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020272983	1	46	-1.0	-47.68	383.53	7.88	-39.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020272984	0	49	-1.0	-41.15	384.45	9.45	-31.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020272984	1	49	-1.0	-41.17	384.50	9.47	-31.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020272985	0	46	-1.0	-43.10	360.52	8.95	-34.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020272985	1	46	-1.0	-43.06	360.46	8.94	-34.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020272986	0	52	-1.0	-41.29	415.13	9.01	-32.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020272986	1	52	-1.0	-41.33	415.19	9.02	-32.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020272987	0	49	-1.0	-46.84	397.62	8.35	-38.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020272987	1	49	-1.0	-46.85	397.56	8.33	-38.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020272988	0	56	-1.0	-43.85	428.78	11.21	-32.64
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020272988	1	56	-1.0	-43.85	428.84	11.22	-32.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020272989	0	53	-1.0	-46.40	406.74	10.70	-35.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020272989	1	53	-1.0	-46.38	406.68	10.67	-35.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020272990	0	50	-1.0	-44.73	390.93	10.08	-34.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020272990	1	50	-1.0	-44.71	390.98	10.10	-34.61
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020272991	0	47	-1.0	-47.31	368.97	9.56	-37.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020272991	1	47	-1.0	-47.28	368.91	9.55	-37.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020272992	0	54	-1.0	-42.94	418.68	11.24	-31.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020272992	1	54	-1.0	-42.96	418.74	11.25	-31.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020272993	0	51	-1.0	-46.17	397.25	10.48	-35.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020272993	1	51	-1.0	-46.14	397.19	10.45	-35.69
CCC1(CC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C2=CC=CC=C21	REAL300020272994	0	56	-1.0	-43.32	425.17	10.93	-32.39
CCC1(CC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C2=CC=CC=C21	REAL300020272994	1	56	-1.0	-43.31	425.23	10.94	-32.37
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C2=CC=CC=C21	REAL300020272995	0	53	-1.0	-46.43	403.61	10.38	-36.05
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C2=CC=CC=C21	REAL300020272995	1	53	-1.0	-46.43	403.57	10.37	-36.06
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020272996	0	47	-1.0	-44.21	374.56	9.54	-34.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020272996	1	47	-1.0	-44.22	374.62	9.55	-34.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020272997	0	44	-1.0	-47.18	352.70	8.95	-38.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020272997	1	44	-1.0	-47.12	352.65	8.94	-38.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020272998	0	53	-1.0	-43.15	406.33	10.45	-32.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020272998	1	53	-1.0	-43.14	406.39	10.46	-32.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020272999	0	50	-1.0	-45.78	384.53	9.88	-35.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020272999	1	50	-1.0	-45.81	384.46	9.87	-35.94
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020273000	0	52	-1.0	-42.03	422.46	9.27	-32.76
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020273000	1	52	-1.0	-42.00	422.52	9.28	-32.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020273001	0	49	-1.0	-47.64	400.98	8.51	-39.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020273001	1	49	-1.0	-47.64	400.93	8.48	-39.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020273002	0	48	-1.0	-43.69	385.07	10.19	-33.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020273002	1	48	-1.0	-43.65	385.12	10.20	-33.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020273003	0	45	-1.0	-46.78	363.25	9.60	-37.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020273003	1	45	-1.0	-46.76	363.19	9.59	-37.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020273004	0	51	-1.0	-44.72	413.94	5.70	-39.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020273004	1	51	-1.0	-44.73	413.99	5.71	-39.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020273005	0	48	-1.0	-51.03	399.71	5.18	-45.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020273005	1	48	-1.0	-51.01	399.66	5.16	-45.85
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020273006	0	51	-1.0	-43.40	397.14	10.50	-32.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020273006	1	51	-1.0	-43.36	397.20	10.52	-32.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020273007	0	48	-1.0	-46.43	378.14	10.04	-36.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020273007	1	48	-1.0	-46.44	378.08	10.02	-36.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020273008	0	56	-1.0	-43.06	424.63	10.85	-32.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020273008	1	56	-1.0	-43.02	424.68	10.86	-32.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020273009	0	53	-1.0	-45.73	399.50	10.16	-35.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020273009	1	53	-1.0	-45.69	399.45	10.14	-35.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020273010	0	53	-1.0	-43.75	430.39	8.10	-35.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020273010	1	53	-1.0	-43.76	430.45	8.12	-35.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020273011	0	50	-1.0	-49.22	410.06	7.43	-41.79
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020273011	1	50	-1.0	-49.26	410.01	7.40	-41.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020273012	0	53	-1.0	-41.90	421.84	3.90	-38.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020273012	1	53	-1.0	-41.90	421.90	3.92	-37.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020273013	0	50	-1.0	-44.81	400.33	3.11	-41.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020273013	1	50	-1.0	-44.80	400.39	3.13	-41.67
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020273014	0	47	-1.0	-41.93	393.02	6.93	-35.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020273014	1	47	-1.0	-41.89	393.07	6.94	-34.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020273015	0	44	-1.0	-44.01	372.40	6.10	-37.91
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020273015	1	44	-1.0	-44.01	372.46	6.12	-37.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020273016	0	47	-1.0	-42.71	382.69	6.49	-36.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020273016	1	47	-1.0	-42.64	382.75	6.50	-36.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020273017	0	44	-1.0	-44.61	362.13	5.68	-38.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020273017	1	44	-1.0	-44.59	362.08	5.65	-38.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020273018	0	51	-1.0	-43.52	425.52	6.54	-36.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020273018	1	51	-1.0	-43.50	425.58	6.57	-36.93
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020273019	0	53	-1.0	-39.98	424.21	8.45	-31.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020273019	1	53	-1.0	-39.92	424.27	8.47	-31.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020273020	0	50	-1.0	-44.32	380.11	6.11	-38.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020273020	1	50	-1.0	-44.32	380.05	6.09	-38.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020273021	0	46	-1.0	-42.32	385.64	4.89	-37.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020273021	1	46	-1.0	-42.37	385.70	4.91	-37.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020273022	0	43	-1.0	-43.02	358.14	4.24	-38.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020273022	1	43	-1.0	-43.00	358.19	4.27	-38.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC1	REAL300020273023	0	43	-1.0	-40.19	351.20	5.07	-35.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC1	REAL300020273023	1	43	-1.0	-40.18	351.26	5.09	-35.09
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1	REAL300020273024	0	47	-1.0	-41.48	377.05	7.44	-34.04
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC1	REAL300020273024	1	47	-1.0	-41.47	377.09	7.43	-34.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020273025	0	49	-1.0	-48.16	397.14	2.08	-46.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020273025	1	49	-1.0	-48.16	397.20	2.10	-46.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020273026	0	46	-1.0	-50.22	375.64	1.30	-48.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020273026	1	46	-1.0	-50.30	375.70	1.32	-48.98
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020273027	0	54	-1.0	-40.04	423.01	8.82	-31.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020273027	1	54	-1.0	-40.01	423.07	8.84	-31.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020273028	0	51	-1.0	-43.78	401.74	8.19	-35.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020273028	1	51	-1.0	-43.77	401.69	8.17	-35.60
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020273029	0	53	-1.0	-41.41	401.01	7.04	-34.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020273029	1	53	-1.0	-41.42	401.06	7.05	-34.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020273030	0	50	-1.0	-43.77	390.12	6.60	-37.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020273030	1	50	-1.0	-43.77	390.18	6.62	-37.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020273031	0	53	-1.0	-41.06	421.41	7.67	-33.39
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020273031	1	53	-1.0	-41.07	421.46	7.68	-33.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020273032	0	50	-1.0	-43.76	405.81	7.84	-35.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020273032	1	50	-1.0	-43.74	405.85	7.86	-35.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020273033	0	50	-1.0	-46.58	408.39	7.24	-39.34
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020273033	1	50	-1.0	-46.58	408.43	7.27	-39.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020273034	0	55	-1.0	-39.37	412.73	6.94	-32.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020273034	1	55	-1.0	-39.42	412.79	6.96	-32.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020273035	0	52	-1.0	-43.18	391.37	6.86	-36.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020273035	1	52	-1.0	-43.18	391.43	6.88	-36.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C)CC1	REAL300020273036	0	44	-1.0	-40.62	353.40	4.85	-35.77
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C)CC1	REAL300020273036	1	44	-1.0	-40.64	353.46	4.86	-35.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C)CC1	REAL300020273037	0	41	-1.0	-42.66	334.58	5.07	-37.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C)CC1	REAL300020273037	1	41	-1.0	-42.66	334.52	5.04	-37.62
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C)CC1	REAL300020273038	0	48	-1.0	-41.02	379.54	7.75	-33.27
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C)CC1	REAL300020273038	1	48	-1.0	-40.96	379.58	7.74	-33.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020273039	0	47	-1.0	-39.11	381.29	5.23	-33.88
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020273039	1	47	-1.0	-39.12	381.34	5.24	-33.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020273040	0	44	-1.0	-41.14	363.15	4.27	-36.87
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020273040	1	44	-1.0	-41.10	363.21	4.29	-36.81
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273041	0	46	-1.0	-39.94	370.31	5.43	-34.51
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273041	1	46	-1.0	-39.94	370.37	5.45	-34.49
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273042	0	43	-1.0	-42.15	348.86	4.67	-37.48
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273042	1	43	-1.0	-42.13	348.80	4.65	-37.48
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273043	0	50	-1.0	-40.93	397.97	7.48	-33.45
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273043	1	50	-1.0	-40.92	398.00	7.46	-33.46
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020273044	0	55	-1.0	-40.21	416.24	6.41	-33.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020273044	1	55	-1.0	-40.24	416.29	6.43	-33.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020273045	0	52	-1.0	-42.21	397.03	5.76	-36.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020273045	1	52	-1.0	-42.29	397.07	5.78	-36.51
C#CCN(CC#CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273046	0	43	-1.0	-40.98	366.92	6.38	-34.60
C#CCN(CC#CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273046	1	43	-1.0	-40.98	366.98	6.39	-34.59
C#CCN(CC#CC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273047	0	40	-1.0	-42.94	354.35	5.60	-37.34
C#CCN(CC#CC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273047	1	40	-1.0	-42.93	354.29	5.57	-37.36
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273048	0	47	-1.0	-41.31	404.12	8.40	-32.91
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273048	1	47	-1.0	-41.31	404.17	8.38	-32.93
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(C)C1	REAL300020273049	0	47	-1.0	-40.45	370.63	5.75	-34.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(C)C1	REAL300020273049	1	47	-1.0	-40.43	370.69	5.76	-34.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(C)C1	REAL300020273050	0	44	-1.0	-43.18	349.11	4.98	-38.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(C)C1	REAL300020273050	1	44	-1.0	-43.18	349.06	4.95	-38.23
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)=C(C)C1	REAL300020273051	0	51	-1.0	-41.01	396.83	8.31	-32.70
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)=C(C)C1	REAL300020273051	1	51	-1.0	-40.93	396.86	8.30	-32.63
CCN(CC1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273052	0	49	-1.0	-40.43	382.52	5.80	-34.63
CCN(CC1CCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273052	1	49	-1.0	-40.39	382.57	5.81	-34.58
CCN(CC1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273053	0	46	-1.0	-43.16	359.87	5.20	-37.96
CCN(CC1CCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273053	1	46	-1.0	-43.21	359.95	5.22	-37.99
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273054	0	53	-1.0	-41.60	406.62	7.66	-33.94
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273054	1	53	-1.0	-41.61	406.64	7.65	-33.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020273055	0	48	-1.0	-40.22	367.56	6.23	-33.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020273055	1	48	-1.0	-40.20	367.62	6.25	-33.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020273056	0	45	-1.0	-43.81	331.79	4.24	-39.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020273056	1	45	-1.0	-43.79	331.85	4.26	-39.53
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020273057	0	52	-1.0	-41.26	399.84	8.34	-32.92
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020273057	1	52	-1.0	-41.18	399.87	8.32	-32.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCSC	REAL300020273058	0	43	-1.0	-41.65	363.46	5.23	-36.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCSC	REAL300020273058	1	43	-1.0	-41.64	363.52	5.25	-36.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCSC	REAL300020273059	0	40	-1.0	-42.32	349.24	4.34	-37.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCSC	REAL300020273059	1	40	-1.0	-42.31	349.29	4.37	-37.94
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCSC	REAL300020273060	0	47	-1.0	-41.71	399.10	7.14	-34.57
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCSC	REAL300020273060	1	47	-1.0	-41.73	399.14	7.13	-34.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020273061	0	55	-1.0	-41.78	431.15	6.67	-35.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020273061	1	55	-1.0	-41.76	431.21	6.70	-35.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020273062	0	48	-1.0	-43.82	407.82	4.49	-39.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020273062	1	48	-1.0	-43.78	407.76	4.46	-39.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020273063	0	54	-1.0	-47.09	428.71	7.37	-39.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020273063	1	54	-1.0	-47.09	428.76	7.40	-39.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020273064	0	50	-1.0	-44.66	409.47	8.64	-36.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020273064	1	50	-1.0	-44.68	409.53	8.66	-36.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020273065	0	49	-1.0	-42.79	413.58	8.30	-34.49
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020273065	1	49	-1.0	-42.74	413.63	8.33	-34.41
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273066	0	52	-1.0	-39.10	391.70	7.01	-32.09
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273066	1	52	-1.0	-39.08	391.75	7.02	-32.06
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273067	0	49	-1.0	-41.90	379.11	6.28	-35.62
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273067	1	49	-1.0	-41.92	379.16	6.30	-35.62
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CC1	REAL300020273068	0	56	-1.0	-40.31	424.45	9.16	-31.15
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1	REAL300020273068	1	56	-1.0	-40.29	424.49	9.14	-31.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(SC)C1	REAL300020273069	0	50	-1.0	-41.88	386.39	7.03	-34.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(SC)C1	REAL300020273069	1	50	-1.0	-41.84	386.45	7.04	-34.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(SC)C1	REAL300020273070	0	47	-1.0	-43.91	379.00	6.16	-37.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(SC)C1	REAL300020273070	1	47	-1.0	-43.93	379.06	6.17	-37.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020273071	0	54	-1.0	-43.47	417.99	7.10	-36.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020273071	1	54	-1.0	-43.48	418.05	7.12	-36.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020273072	0	52	-1.0	-38.93	397.15	6.49	-32.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020273072	1	52	-1.0	-38.91	397.20	6.50	-32.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020273073	0	49	-1.0	-41.95	370.80	6.96	-34.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020273073	1	49	-1.0	-41.95	370.85	6.98	-34.97
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020273074	0	56	-1.0	-41.45	415.90	8.11	-33.34
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020273074	1	56	-1.0	-41.46	415.91	8.10	-33.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020273075	0	51	-1.0	-42.18	394.53	5.28	-36.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020273075	1	51	-1.0	-42.23	394.59	5.29	-36.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020273076	0	48	-1.0	-45.05	373.19	3.91	-41.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020273076	1	48	-1.0	-45.05	373.25	3.94	-41.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020273077	0	54	-1.0	-42.87	436.93	8.72	-34.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020273077	1	54	-1.0	-42.83	436.99	8.74	-34.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020273078	0	51	-1.0	-45.24	415.21	8.48	-36.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020273078	1	51	-1.0	-45.23	415.27	8.49	-36.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020273079	0	53	-1.0	-40.44	410.01	6.86	-33.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020273079	1	53	-1.0	-40.41	410.07	6.87	-33.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020273080	0	50	-1.0	-41.49	394.49	6.57	-34.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020273080	1	50	-1.0	-41.49	394.55	6.60	-34.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020273081	0	49	-1.0	-45.05	415.97	8.46	-36.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020273081	1	49	-1.0	-45.10	416.02	8.49	-36.61
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020273082	0	54	-1.0	-39.91	406.50	5.22	-34.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020273082	1	54	-1.0	-39.91	406.56	5.24	-34.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020273083	0	51	-1.0	-42.53	388.69	4.55	-37.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020273083	1	51	-1.0	-42.51	388.74	4.58	-37.93
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020273084	0	51	-1.0	-44.86	399.87	2.80	-42.06
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020273084	1	51	-1.0	-44.86	399.93	2.81	-42.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020273085	0	48	-1.0	-45.04	382.69	2.35	-42.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020273085	1	48	-1.0	-45.09	382.75	2.37	-42.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020273086	0	53	0.0	-63.93	398.64	7.55	-56.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020273086	1	53	0.0	-62.18	402.62	6.76	-55.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020273086	1	53	0.0	-63.96	398.69	7.56	-56.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020273086	1	53	0.0	-62.19	402.68	6.77	-55.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020273087	0	50	0.0	-61.22	384.34	6.48	-54.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020273087	1	50	0.0	-60.11	374.34	5.61	-54.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020273087	1	50	0.0	-61.21	384.39	6.50	-54.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020273087	1	50	0.0	-60.14	374.39	5.64	-54.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020273088	0	59	0.0	-65.69	428.71	7.97	-57.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020273088	1	59	0.0	-63.67	426.55	7.92	-55.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020273088	1	59	0.0	-65.64	428.65	7.95	-57.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020273088	1	59	0.0	-63.71	426.50	7.91	-55.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020273089	0	56	0.0	-63.03	407.20	7.17	-55.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020273089	1	56	0.0	-61.34	405.63	6.74	-54.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020273089	1	56	0.0	-63.02	407.26	7.19	-55.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020273089	1	56	0.0	-61.33	405.68	6.76	-54.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020273090	0	50	-1.0	-40.37	383.54	5.67	-34.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020273090	1	50	-1.0	-40.40	383.60	5.68	-34.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020273091	0	47	-1.0	-43.06	361.93	5.36	-37.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020273091	1	47	-1.0	-43.13	361.98	5.37	-37.76
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020273092	0	54	-1.0	-41.89	411.77	8.13	-33.76
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020273092	1	54	-1.0	-41.89	411.86	8.12	-33.77
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273093	0	49	-1.0	-43.16	403.13	6.72	-36.44
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273093	1	49	-1.0	-43.15	403.19	6.73	-36.42
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273094	0	46	-1.0	-47.28	380.95	5.99	-41.29
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273094	1	46	-1.0	-47.29	381.01	6.02	-41.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020273095	0	56	-1.0	-39.69	419.55	8.61	-31.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020273095	1	56	-1.0	-39.72	419.60	8.63	-31.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020273096	0	53	-1.0	-43.56	409.99	7.03	-36.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020273096	1	53	-1.0	-43.55	410.05	7.06	-36.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020273097	0	54	-1.0	-44.96	431.15	8.45	-36.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020273097	1	54	-1.0	-44.95	431.21	8.46	-36.49
CCC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCOC)CC2)C=C1	REAL300020273098	0	54	-1.0	-41.02	440.13	9.46	-31.56
CCC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCOC)CC2)C=C1	REAL300020273098	1	54	-1.0	-41.03	440.18	9.48	-31.55
C=CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1CC1	REAL300020273099	0	44	-1.0	-40.19	361.61	5.57	-34.62
C=CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1CC1	REAL300020273099	1	44	-1.0	-40.22	361.67	5.58	-34.64
C=CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CC1	REAL300020273100	0	41	-1.0	-41.60	336.26	4.81	-36.79
C=CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CC1	REAL300020273100	1	41	-1.0	-41.62	336.21	4.79	-36.83
C=CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC)C1CC1	REAL300020273101	0	48	-1.0	-41.27	391.38	7.65	-33.62
C=CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC)C1CC1	REAL300020273101	1	48	-1.0	-41.21	391.42	7.63	-33.58
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020273102	0	51	-1.0	-42.41	427.52	8.21	-34.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020273102	1	51	-1.0	-42.44	427.58	8.23	-34.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020273103	0	48	-1.0	-43.41	414.66	7.67	-35.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020273103	1	48	-1.0	-43.40	414.71	7.69	-35.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020273104	0	51	-1.0	-46.28	419.99	5.56	-40.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020273104	1	51	-1.0	-46.29	420.04	5.59	-40.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(COC)C1	REAL300020273105	0	53	-1.0	-42.28	396.42	5.09	-37.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(COC)C1	REAL300020273105	1	53	-1.0	-42.31	396.48	5.10	-37.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(COC)C1	REAL300020273106	0	50	-1.0	-44.62	382.17	5.12	-39.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(COC)C1	REAL300020273106	1	50	-1.0	-44.62	382.23	5.14	-39.48
CCC1C(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273107	0	49	-1.0	-40.06	381.86	5.33	-34.73
CCC1C(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273107	1	49	-1.0	-40.07	381.91	5.34	-34.73
CCC1C(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273108	0	46	-1.0	-42.67	360.37	4.54	-38.13
CCC1C(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273108	1	46	-1.0	-42.71	360.42	4.57	-38.14
CCC1C(C)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273109	0	53	-1.0	-40.79	409.55	7.32	-33.47
CCC1C(C)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273109	1	53	-1.0	-40.71	409.57	7.29	-33.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(COC)CC1	REAL300020273110	0	48	-1.0	-42.11	387.57	4.52	-37.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(COC)CC1	REAL300020273110	1	48	-1.0	-42.11	387.62	4.53	-37.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(COC)CC1	REAL300020273111	0	45	-1.0	-42.31	372.15	4.24	-38.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(COC)CC1	REAL300020273111	1	45	-1.0	-42.32	372.20	4.26	-38.06
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(COC)CC1	REAL300020273112	0	52	-1.0	-41.92	409.40	6.78	-35.14
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(COC)CC1	REAL300020273112	1	52	-1.0	-41.88	409.43	6.77	-35.11
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1C	REAL300020273113	0	49	-1.0	-40.70	375.07	6.32	-34.38
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1C	REAL300020273113	1	49	-1.0	-40.68	375.12	6.34	-34.34
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1C	REAL300020273114	0	46	-1.0	-44.46	355.38	5.51	-38.95
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1C	REAL300020273114	1	46	-1.0	-44.45	355.44	5.54	-38.91
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1C	REAL300020273115	0	53	-1.0	-41.61	404.61	8.27	-33.34
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1C	REAL300020273115	1	53	-1.0	-41.63	404.64	8.26	-33.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020273116	0	53	-1.0	-40.16	426.16	8.49	-31.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020273116	1	53	-1.0	-40.19	426.22	8.50	-31.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020273117	0	50	-1.0	-43.24	398.62	7.86	-35.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020273117	1	50	-1.0	-43.24	398.56	7.83	-35.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020273118	0	56	-1.0	-39.99	431.59	9.24	-30.75
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020273118	1	56	-1.0	-39.99	431.65	9.27	-30.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020273119	0	53	-1.0	-41.57	401.78	8.97	-32.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020273119	1	53	-1.0	-41.59	401.83	9.00	-32.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020273120	0	54	-1.0	-43.64	431.47	8.11	-35.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020273120	1	54	-1.0	-43.62	431.52	8.12	-35.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020273121	0	51	-1.0	-46.76	405.77	7.57	-39.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020273121	1	51	-1.0	-46.72	405.72	7.55	-39.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020273122	0	56	-1.0	-41.98	436.48	8.62	-33.36
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020273122	1	56	-1.0	-41.98	436.54	8.63	-33.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020273123	0	53	-1.0	-43.48	419.85	7.98	-35.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020273123	1	53	-1.0	-43.50	419.90	8.01	-35.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCSC	REAL300020273124	0	46	-1.0	-40.29	384.94	6.03	-34.26
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCSC	REAL300020273124	1	46	-1.0	-40.29	385.00	6.05	-34.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCSC	REAL300020273125	0	43	-1.0	-41.90	370.73	5.13	-36.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCSC	REAL300020273125	1	43	-1.0	-41.90	370.79	5.16	-36.74
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCSC	REAL300020273126	0	50	-1.0	-40.68	420.60	7.91	-32.77
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCSC	REAL300020273126	1	50	-1.0	-40.67	420.64	7.91	-32.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020273127	0	56	-1.0	-44.06	438.69	8.60	-35.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020273127	1	56	-1.0	-44.07	438.74	8.62	-35.45
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273128	0	51	-1.0	-46.52	425.36	5.65	-40.87
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273128	1	51	-1.0	-46.50	425.41	5.68	-40.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020273129	0	50	-1.0	-45.69	393.73	4.90	-40.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020273129	1	50	-1.0	-45.70	393.78	4.91	-40.79
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020273130	0	52	-1.0	-40.51	412.31	6.16	-34.35
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020273130	1	52	-1.0	-40.50	412.36	6.18	-34.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020273131	0	49	-1.0	-42.75	383.33	5.36	-37.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020273131	1	49	-1.0	-42.74	383.27	5.34	-37.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020273132	0	50	-1.0	-39.88	399.16	7.69	-32.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020273132	1	50	-1.0	-39.83	399.22	7.71	-32.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020273133	0	47	-1.0	-42.76	377.29	7.10	-35.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020273133	1	47	-1.0	-42.75	377.24	7.09	-35.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020273134	0	44	-1.0	-40.39	349.44	3.09	-37.30
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020273134	1	44	-1.0	-40.45	349.50	3.11	-37.34
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020273135	0	41	-1.0	-41.65	319.36	2.47	-39.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020273135	1	41	-1.0	-41.68	319.31	2.45	-39.23
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020273136	0	48	-1.0	-41.49	381.34	5.22	-36.27
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020273136	1	48	-1.0	-41.53	381.38	5.20	-36.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC#N	REAL300020273137	0	43	-1.0	-46.74	345.70	4.96	-41.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC#N	REAL300020273137	1	43	-1.0	-46.74	345.75	4.98	-41.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC#N	REAL300020273138	0	40	-1.0	-47.44	337.29	4.38	-43.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC#N	REAL300020273138	1	40	-1.0	-47.44	337.23	4.36	-43.08
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020273139	0	47	-1.0	-47.56	381.93	7.22	-40.34
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020273139	1	47	-1.0	-47.46	381.96	7.21	-40.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020273140	0	47	-1.0	-41.40	391.18	5.92	-35.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020273140	1	47	-1.0	-41.39	391.23	5.93	-35.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020273141	0	44	-1.0	-43.00	365.48	4.98	-38.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020273141	1	44	-1.0	-43.02	365.54	5.00	-38.02
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020273142	0	51	-1.0	-42.86	418.81	7.96	-34.90
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020273142	1	51	-1.0	-42.86	418.85	7.95	-34.91
COCCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273143	0	47	-1.0	-43.67	391.34	3.43	-40.24
COCCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273143	1	47	-1.0	-43.63	391.40	3.45	-40.18
COCCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273144	0	44	-1.0	-43.41	360.88	2.60	-40.81
COCCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273144	1	44	-1.0	-43.43	360.94	2.61	-40.82
COCCN(CCC#N)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273145	0	51	-1.0	-45.11	419.22	5.48	-39.63
COCCN(CCC#N)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273145	1	51	-1.0	-45.13	419.23	5.47	-39.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CCC(C)C	REAL300020273146	0	52	-1.0	-41.04	417.12	6.33	-34.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CCC(C)C	REAL300020273146	1	52	-1.0	-41.09	417.18	6.35	-34.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CCC(C)C	REAL300020273147	0	49	-1.0	-41.66	388.14	5.63	-36.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CCC(C)C	REAL300020273147	1	49	-1.0	-41.68	388.22	5.64	-36.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020273148	0	44	-1.0	-42.19	352.70	2.10	-40.09
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020273148	1	44	-1.0	-42.18	352.76	2.11	-40.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020273149	0	41	-1.0	-41.20	327.03	1.40	-39.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020273149	1	41	-1.0	-41.21	326.98	1.38	-39.83
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020273150	0	48	-1.0	-44.08	369.50	2.83	-41.25
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020273150	1	48	-1.0	-44.07	369.53	2.82	-41.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020273151	0	53	-1.0	-43.12	425.92	7.03	-36.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020273151	1	53	-1.0	-43.10	425.98	7.06	-36.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020273152	0	50	-1.0	-40.12	405.49	7.85	-32.27
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020273152	1	50	-1.0	-40.12	405.55	7.87	-32.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020273153	0	47	-1.0	-43.23	377.92	7.22	-36.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020273153	1	47	-1.0	-43.19	377.86	7.20	-35.99
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020273154	0	46	-1.0	-39.34	387.19	6.49	-32.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020273154	1	46	-1.0	-39.31	387.25	6.50	-32.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020273155	0	43	-1.0	-42.52	358.48	5.64	-36.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020273155	1	43	-1.0	-42.53	358.41	5.61	-36.92
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC1	REAL300020273156	0	41	-1.0	-39.64	341.04	5.27	-34.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC1	REAL300020273156	1	41	-1.0	-39.64	341.09	5.28	-34.36
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC1	REAL300020273157	0	45	-1.0	-41.24	359.62	7.12	-34.12
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC1	REAL300020273157	1	45	-1.0	-40.98	361.41	7.09	-33.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020273158	0	54	-1.0	-41.29	434.09	5.68	-35.61
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020273158	1	54	-1.0	-41.31	434.15	5.69	-35.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020273159	0	51	-1.0	-43.73	411.80	5.27	-38.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020273159	1	51	-1.0	-43.74	411.85	5.29	-38.45
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273160	0	52	-1.0	-43.26	423.34	7.39	-35.87
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273160	1	52	-1.0	-43.26	423.40	7.41	-35.85
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273161	0	49	-1.0	-45.14	400.26	6.57	-38.57
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273161	1	49	-1.0	-45.15	400.31	6.60	-38.55
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273162	0	52	-1.0	-45.65	419.25	8.26	-37.39
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273162	1	52	-1.0	-45.63	419.19	8.23	-37.40
CCC(CC)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273163	0	54	-1.0	-41.22	414.20	6.63	-34.59
CCC(CC)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273163	1	54	-1.0	-41.19	414.25	6.64	-34.55
CCC(CC)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273164	0	51	-1.0	-45.70	392.88	5.77	-39.93
CCC(CC)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273164	1	51	-1.0	-45.72	392.93	5.80	-39.92
CCC(CC)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273165	0	58	-1.0	-42.78	437.50	10.01	-32.77
CCC(CC)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273165	1	58	-1.0	-42.70	437.53	10.01	-32.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CC1	REAL300020273166	0	52	-1.0	-39.22	416.00	7.12	-32.10
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CC1	REAL300020273166	1	52	-1.0	-39.24	416.06	7.13	-32.11
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CC1	REAL300020273167	0	49	-1.0	-41.89	394.18	6.77	-35.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CC1	REAL300020273167	1	49	-1.0	-41.90	394.24	6.79	-35.11
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC(C)C)C1CC1	REAL300020273168	0	56	-1.0	-40.42	443.08	9.52	-30.90
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC(C)C)C1CC1	REAL300020273168	1	56	-1.0	-40.40	443.13	9.52	-30.88
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273169	0	50	-1.0	-40.81	405.26	7.42	-33.39
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273169	1	50	-1.0	-40.78	405.32	7.44	-33.34
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273170	0	47	-1.0	-44.53	386.72	6.61	-37.92
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273170	1	47	-1.0	-44.59	386.66	6.59	-38.00
COCCN(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273171	0	50	-1.0	-43.37	411.71	4.34	-39.03
COCCN(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273171	1	50	-1.0	-43.36	411.77	4.36	-39.00
COCCN(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273172	0	47	-1.0	-46.60	390.20	3.56	-43.04
COCCN(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273172	1	47	-1.0	-46.61	390.26	3.58	-43.03
COCCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273173	0	52	-1.0	-42.86	410.78	4.51	-38.35
COCCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273173	1	52	-1.0	-42.87	410.84	4.53	-38.34
COCCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273174	0	49	-1.0	-45.75	389.26	3.73	-42.02
COCCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273174	1	49	-1.0	-45.74	389.31	3.75	-41.99
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020273175	0	55	-1.0	-39.46	421.10	7.45	-32.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020273175	1	55	-1.0	-39.43	421.16	7.46	-31.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020273176	0	52	-1.0	-43.22	371.48	5.49	-37.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020273176	1	52	-1.0	-43.26	371.52	5.52	-37.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020273177	0	58	-1.0	-41.24	463.47	10.02	-31.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020273177	1	58	-1.0	-41.25	463.52	10.03	-31.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020273178	0	55	-1.0	-45.34	438.12	8.52	-36.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020273178	1	55	-1.0	-45.37	438.18	8.54	-36.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC(C)C	REAL300020273179	0	52	-1.0	-47.15	413.27	7.06	-40.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC(C)C	REAL300020273179	1	52	-1.0	-47.11	413.32	7.08	-40.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020273180	0	55	-1.0	-39.65	433.25	8.91	-30.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020273180	1	55	-1.0	-39.65	433.30	8.93	-30.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020273181	0	52	-1.0	-42.00	419.66	8.40	-33.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020273181	1	52	-1.0	-42.01	419.60	8.38	-33.63
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020273182	0	58	-1.0	-39.59	439.47	7.65	-31.94
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020273182	1	58	-1.0	-39.55	439.53	7.66	-31.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020273183	0	55	-1.0	-42.63	408.39	7.71	-34.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020273183	1	55	-1.0	-42.59	408.45	7.73	-34.86
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273184	0	49	-1.0	-41.21	414.80	7.23	-33.98
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273184	1	49	-1.0	-41.21	414.86	7.25	-33.96
CCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273185	0	46	-1.0	-43.71	387.32	5.97	-37.74
CCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273185	1	46	-1.0	-43.76	387.38	6.00	-37.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020273186	0	51	-1.0	-44.37	422.61	2.55	-41.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020273186	1	51	-1.0	-44.34	422.66	2.58	-41.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC1C	REAL300020273187	0	44	-1.0	-40.87	355.17	2.92	-37.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC1C	REAL300020273187	1	44	-1.0	-40.89	355.22	2.94	-37.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC1C	REAL300020273188	0	41	-1.0	-42.41	328.45	2.14	-40.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC1C	REAL300020273188	1	41	-1.0	-42.44	328.41	2.13	-40.31
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1C	REAL300020273189	0	48	-1.0	-41.82	385.35	5.15	-36.67
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1C	REAL300020273189	1	48	-1.0	-41.88	385.23	5.14	-36.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(C)C)C(C)C	REAL300020273190	0	51	-1.0	-40.76	386.56	5.10	-35.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(C)C)C(C)C	REAL300020273190	1	51	-1.0	-40.75	386.62	5.12	-35.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)C(C)C	REAL300020273191	0	48	-1.0	-43.69	364.99	4.31	-39.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)C(C)C	REAL300020273191	1	48	-1.0	-43.70	365.04	4.34	-39.36
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC(C)C)C(C)C	REAL300020273192	0	55	-1.0	-41.78	413.05	7.00	-34.78
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC(C)C)C(C)C	REAL300020273192	1	55	-1.0	-41.69	413.07	6.99	-34.70
CCC1C2=C(CCN1C1=NN=C(CCC3=N[N-]N=N3)N1CCOC)SC=C2	REAL300020273193	0	50	-1.0	-41.28	397.86	6.48	-34.80
CCC1C2=C(CCN1C1=NN=C(CCC3=NN=N[N-]3)N1CCOC)SC=C2	REAL300020273193	1	50	-1.0	-41.33	397.92	6.49	-34.84
CCC1C2=C(CCN1C1=NN=C(CC3=NN=N[N-]3)N1CCOC)SC=C2	REAL300020273194	0	47	-1.0	-43.77	375.57	6.01	-37.76
CCC1C2=C(CCN1C1=NN=C(CC3=N[N-]N=N3)N1CCOC)SC=C2	REAL300020273194	1	47	-1.0	-43.79	375.51	5.99	-37.80
CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273195	0	48	-1.0	-40.99	378.42	5.39	-35.60
CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273195	1	48	-1.0	-41.03	378.48	5.41	-35.62
CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273196	0	45	-1.0	-44.92	357.14	4.54	-40.38
CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273196	1	45	-1.0	-44.93	357.08	4.53	-40.40
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273197	0	52	-1.0	-41.05	406.50	7.69	-33.36
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273197	1	52	-1.0	-41.03	406.53	7.69	-33.34
CCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273198	0	48	-1.0	-39.69	367.34	6.16	-33.53
CCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273198	1	48	-1.0	-39.73	367.40	6.17	-33.56
CCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273199	0	45	-1.0	-41.45	358.97	5.56	-35.89
CCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273199	1	45	-1.0	-41.46	358.92	5.54	-35.92
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273200	0	52	-1.0	-40.75	403.58	8.41	-32.34
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273200	1	52	-1.0	-40.77	403.62	8.40	-32.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020273201	0	48	-1.0	-44.63	387.77	3.48	-41.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020273201	1	48	-1.0	-44.60	387.83	3.49	-41.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020273202	0	45	-1.0	-47.38	366.32	2.70	-44.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020273202	1	45	-1.0	-47.38	366.26	2.67	-44.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020273203	0	47	-1.0	-41.24	396.46	4.09	-37.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020273203	1	47	-1.0	-41.25	396.52	4.11	-37.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020273204	0	44	-1.0	-43.84	362.40	3.61	-40.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020273204	1	44	-1.0	-43.85	362.34	3.59	-40.26
C#CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1CCC2=CC=CC=C21	REAL300020273205	0	52	-1.0	-44.26	416.72	8.15	-36.11
C#CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1CCC2=CC=CC=C21	REAL300020273205	1	52	-1.0	-44.28	416.77	8.16	-36.12
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CCC2=CC=CC=C21	REAL300020273206	0	49	-1.0	-45.33	409.27	7.39	-37.94
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CCC2=CC=CC=C21	REAL300020273206	1	49	-1.0	-45.32	409.22	7.36	-37.96
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273207	0	52	-1.0	-41.90	416.65	7.58	-34.32
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273207	1	52	-1.0	-41.89	416.71	7.60	-34.29
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273208	0	49	-1.0	-45.22	395.22	6.81	-38.41
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273208	1	49	-1.0	-45.22	395.28	6.84	-38.38
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273209	0	53	-1.0	-41.76	423.63	6.04	-35.72
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273209	1	53	-1.0	-41.75	423.68	6.05	-35.70
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273210	0	50	-1.0	-44.76	406.81	6.37	-38.39
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273210	1	50	-1.0	-44.74	406.88	6.39	-38.35
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)=C1	REAL300020273211	0	49	-1.0	-48.34	424.37	5.85	-42.49
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)=C1	REAL300020273211	1	49	-1.0	-48.33	424.44	5.88	-42.45
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020273212	0	56	-1.0	-44.61	426.81	6.17	-38.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020273212	1	56	-1.0	-44.60	426.87	6.18	-38.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020273213	0	53	-1.0	-45.67	405.32	5.38	-40.29
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020273213	1	53	-1.0	-45.73	405.38	5.41	-40.32
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020273214	0	56	-1.0	-39.12	438.03	8.80	-30.32
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020273214	1	56	-1.0	-39.12	438.09	8.81	-30.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020273215	0	53	-1.0	-42.17	410.84	8.37	-33.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020273215	1	53	-1.0	-42.20	410.90	8.40	-33.80
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273216	0	58	0.0	-65.30	442.67	6.98	-58.32
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273216	1	58	0.0	-65.34	442.72	6.99	-58.35
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273217	0	55	0.0	-60.68	415.38	6.16	-54.52
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273217	1	55	0.0	-60.67	415.43	6.16	-54.51
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273218	0	54	-1.0	-41.38	434.77	6.71	-34.67
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273218	1	54	-1.0	-41.36	434.83	6.73	-34.63
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273219	0	51	-1.0	-43.78	413.37	6.09	-37.69
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273219	1	51	-1.0	-43.72	413.31	6.07	-37.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020273220	0	50	-1.0	-43.16	406.32	8.54	-34.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020273220	1	50	-1.0	-43.18	406.37	8.55	-34.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020273221	0	47	-1.0	-45.98	388.42	7.97	-38.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020273221	1	47	-1.0	-45.97	388.36	7.94	-38.03
COCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273222	0	53	-1.0	-42.25	421.97	2.89	-39.36
COCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273222	1	53	-1.0	-42.25	422.03	2.91	-39.34
COCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273223	0	50	-1.0	-44.82	400.47	2.11	-42.71
COCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273223	1	50	-1.0	-44.82	400.53	2.13	-42.69
CCC1(CC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273224	0	58	-1.0	-38.52	420.30	8.77	-29.75
CCC1(CC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273224	1	58	-1.0	-38.52	420.36	8.79	-29.73
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273225	0	55	-1.0	-41.18	389.34	7.05	-34.13
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273225	1	55	-1.0	-41.19	389.39	7.08	-34.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020273226	0	56	-1.0	-39.84	443.67	9.08	-30.76
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020273226	1	56	-1.0	-39.84	443.73	9.10	-30.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020273227	0	53	-1.0	-42.98	415.98	8.41	-34.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020273227	1	53	-1.0	-42.97	416.04	8.44	-34.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020273228	0	50	-1.0	-40.39	393.94	4.12	-36.27
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020273228	1	50	-1.0	-40.36	394.00	4.14	-36.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020273229	0	47	-1.0	-43.04	375.26	3.41	-39.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020273229	1	47	-1.0	-43.02	375.31	3.44	-39.58
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020273230	0	54	-1.0	-41.16	407.37	5.62	-35.54
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020273230	1	54	-1.0	-41.19	407.40	5.61	-35.58
C=CCC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCCC1(C)C	REAL300020273231	0	56	-1.0	-40.13	422.30	6.73	-33.40
C=CCC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCCC1(C)C	REAL300020273231	1	56	-1.0	-40.17	422.36	6.74	-33.43
C=CCC1N(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCCC1(C)C	REAL300020273232	0	53	-1.0	-41.88	395.65	5.98	-35.90
C=CCC1N(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCCC1(C)C	REAL300020273232	1	53	-1.0	-41.91	395.71	6.00	-35.91
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020273233	0	52	-1.0	-52.34	401.56	2.65	-49.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020273233	1	52	-1.0	-52.37	401.62	2.66	-49.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020273234	0	49	-1.0	-57.98	395.81	2.48	-55.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020273234	1	49	-1.0	-58.00	395.86	2.49	-55.51
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C)C1	REAL300020273235	0	44	-1.0	-40.00	354.69	5.58	-34.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C)C1	REAL300020273235	1	44	-1.0	-40.00	354.75	5.60	-34.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C)C1	REAL300020273236	0	41	-1.0	-42.63	328.06	4.13	-38.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C)C1	REAL300020273236	1	41	-1.0	-42.63	328.01	4.12	-38.51
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC=C(C)C1	REAL300020273237	0	48	-1.0	-40.82	377.66	7.46	-33.36
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC=C(C)C1	REAL300020273237	1	48	-1.0	-40.77	377.70	7.46	-33.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020273238	0	41	-1.0	-39.73	362.38	5.68	-34.05
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020273238	1	41	-1.0	-39.73	362.44	5.70	-34.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020273239	0	38	-1.0	-42.64	329.45	4.26	-38.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020273239	1	38	-1.0	-42.64	329.51	4.27	-38.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020273240	0	53	-1.0	-39.25	407.60	5.17	-34.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020273240	1	53	-1.0	-39.21	407.66	5.18	-34.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020273241	0	50	-1.0	-41.90	386.11	4.38	-37.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020273241	1	50	-1.0	-41.90	386.17	4.41	-37.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020273242	0	53	-1.0	-39.45	417.67	7.75	-31.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020273242	1	53	-1.0	-39.45	417.73	7.76	-31.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020273243	0	50	-1.0	-42.39	396.08	7.15	-35.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020273243	1	50	-1.0	-42.39	396.13	7.18	-35.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020273244	0	44	-1.0	-39.32	373.12	6.33	-32.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020273244	1	44	-1.0	-39.32	373.18	6.35	-32.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020273245	0	41	-1.0	-41.57	351.60	5.54	-36.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020273245	1	41	-1.0	-41.56	351.66	5.56	-36.00
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020273246	0	44	-1.0	-41.97	363.17	3.76	-38.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020273246	1	44	-1.0	-42.00	363.23	3.78	-38.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020273247	0	41	-1.0	-42.26	338.71	3.06	-39.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020273247	1	41	-1.0	-42.28	338.77	3.08	-39.20
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020273248	0	47	-1.0	-42.05	378.46	6.34	-35.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020273248	1	47	-1.0	-42.05	378.51	6.35	-35.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020273249	0	44	-1.0	-44.70	355.71	5.60	-39.10
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020273249	1	44	-1.0	-44.67	355.65	5.58	-39.09
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020273250	0	56	-1.0	-39.94	412.86	8.21	-31.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020273250	1	56	-1.0	-39.95	412.92	8.22	-31.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020273251	0	53	-1.0	-44.32	394.52	7.01	-37.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020273251	1	53	-1.0	-44.36	394.58	7.03	-37.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020273252	0	46	-1.0	-51.00	381.31	1.22	-49.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020273252	1	46	-1.0	-50.98	381.37	1.24	-49.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020273253	0	43	-1.0	-46.83	352.44	1.15	-45.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020273253	1	43	-1.0	-46.83	352.50	1.17	-45.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020273254	0	53	-1.0	-41.93	429.24	3.25	-38.68
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020273254	1	53	-1.0	-41.98	429.30	3.26	-38.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020273255	0	50	-1.0	-43.66	407.10	2.67	-40.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020273255	1	50	-1.0	-43.66	407.15	2.69	-40.97
CCCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273256	0	48	-1.0	-40.29	379.91	5.36	-34.93
CCCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273256	1	48	-1.0	-40.28	379.97	5.37	-34.91
CCCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273257	0	45	-1.0	-41.87	358.09	5.09	-36.78
CCCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273257	1	45	-1.0	-41.88	358.04	5.08	-36.80
CCCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273258	0	52	-1.0	-41.20	407.56	7.50	-33.70
CCCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273258	1	52	-1.0	-41.14	407.60	7.49	-33.65
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273259	0	44	-1.0	-38.99	372.32	5.58	-33.41
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273259	1	44	-1.0	-38.98	372.38	5.59	-33.39
C=CCN(CC=C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273260	0	41	-1.0	-41.38	350.87	4.82	-36.56
C=CCN(CC=C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273260	1	41	-1.0	-41.33	350.81	4.79	-36.54
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273261	0	48	-1.0	-40.88	400.38	7.30	-33.58
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273261	1	48	-1.0	-40.83	400.42	7.28	-33.55
COCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273262	0	50	-1.0	-40.71	412.30	2.57	-38.14
COCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273262	1	50	-1.0	-40.70	412.36	2.59	-38.11
COCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273263	0	47	-1.0	-46.11	379.08	1.38	-44.73
COCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273263	1	47	-1.0	-46.13	379.14	1.40	-44.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020273264	0	50	-1.0	-40.96	398.51	3.76	-37.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020273264	1	50	-1.0	-40.98	398.57	3.78	-37.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020273265	0	47	-1.0	-44.79	379.39	3.16	-41.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020273265	1	47	-1.0	-44.82	379.32	3.13	-41.69
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1CCCCC1	REAL300020273266	0	52	-1.0	-40.46	402.99	5.74	-34.72
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1CCCCC1	REAL300020273266	1	52	-1.0	-40.46	403.05	5.75	-34.71
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CCCCC1	REAL300020273267	0	49	-1.0	-43.31	381.49	4.91	-38.40
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CCCCC1	REAL300020273267	1	49	-1.0	-43.35	381.55	4.94	-38.41
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC)C1CCCCC1	REAL300020273268	0	56	-1.0	-41.52	430.71	7.59	-33.93
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC)C1CCCCC1	REAL300020273268	1	56	-1.0	-41.46	430.74	7.58	-33.88
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273269	0	49	-1.0	-39.78	396.54	7.09	-32.69
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273269	1	49	-1.0	-39.80	396.60	7.11	-32.69
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273270	0	46	-1.0	-42.66	383.14	6.46	-36.20
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273270	1	46	-1.0	-42.69	383.08	6.44	-36.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020273271	0	49	-1.0	-39.34	370.42	7.21	-32.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020273271	1	49	-1.0	-39.35	370.48	7.22	-32.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020273272	0	46	-1.0	-41.86	348.52	6.59	-35.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020273272	1	46	-1.0	-41.85	348.58	6.61	-35.24
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCC1	REAL300020273273	0	53	-1.0	-40.09	402.39	9.29	-30.80
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCC1	REAL300020273273	1	53	-1.0	-40.14	402.43	9.27	-30.87
CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273274	0	48	-1.0	-40.18	378.24	5.36	-34.82
CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273274	1	48	-1.0	-40.19	378.30	5.37	-34.82
CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273275	0	45	-1.0	-43.41	356.88	4.58	-38.83
CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273275	1	45	-1.0	-43.37	356.82	4.57	-38.80
CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273276	0	52	-1.0	-41.16	405.67	7.37	-33.79
CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273276	1	52	-1.0	-41.14	405.71	7.37	-33.77
CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273277	0	49	-1.0	-39.44	400.42	6.80	-32.64
CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273277	1	49	-1.0	-39.38	400.48	6.81	-32.57
CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273278	0	46	-1.0	-42.50	378.92	6.01	-36.49
CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273278	1	46	-1.0	-42.47	378.98	6.04	-36.43
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273279	0	53	-1.0	-41.54	409.98	7.85	-33.69
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273279	1	53	-1.0	-41.56	410.03	7.84	-33.72
C=C(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273280	0	46	-1.0	-39.84	369.03	5.02	-34.82
C=C(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273280	1	46	-1.0	-39.89	369.08	5.04	-34.85
C=C(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273281	0	43	-1.0	-43.22	347.52	4.21	-39.01
C=C(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273281	1	43	-1.0	-43.24	347.46	4.17	-39.07
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273282	0	50	-1.0	-40.76	396.32	7.04	-33.72
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273282	1	50	-1.0	-40.74	396.35	7.03	-33.71
COCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273283	0	53	-1.0	-40.63	420.74	6.16	-34.47
COCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273283	1	53	-1.0	-40.68	420.80	6.18	-34.50
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273284	0	50	-1.0	-44.35	401.66	5.54	-38.81
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273284	1	50	-1.0	-44.36	401.60	5.51	-38.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020273285	0	50	-1.0	-45.37	412.97	7.40	-37.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020273285	1	50	-1.0	-45.34	412.91	7.38	-37.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020273286	0	54	-1.0	-43.14	419.60	5.86	-37.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020273286	1	54	-1.0	-43.17	419.66	5.87	-37.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020273287	0	51	-1.0	-45.20	401.54	5.55	-39.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020273287	1	51	-1.0	-45.21	401.59	5.58	-39.63
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020273288	0	50	-1.0	-41.88	427.97	6.94	-34.94
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020273288	1	50	-1.0	-41.90	428.02	6.95	-34.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020273289	0	47	-1.0	-45.53	406.51	6.18	-39.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020273289	1	47	-1.0	-45.49	406.45	6.15	-39.34
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273290	0	46	-1.0	-38.51	409.15	6.95	-31.56
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273290	1	46	-1.0	-38.51	409.20	6.96	-31.55
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273291	0	43	-1.0	-41.50	390.58	6.38	-35.12
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273291	1	43	-1.0	-41.57	390.64	6.41	-35.16
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273292	0	44	-1.0	-43.66	396.00	6.43	-37.23
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273292	1	44	-1.0	-43.68	396.06	6.46	-37.22
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273293	0	47	-1.0	-39.69	408.07	7.19	-32.50
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273293	1	47	-1.0	-39.65	408.13	7.21	-32.44
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273294	0	44	-1.0	-41.86	383.77	6.06	-35.80
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273294	1	44	-1.0	-41.89	383.72	6.03	-35.86
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273295	0	49	-1.0	-47.43	398.27	4.53	-42.90
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273295	1	49	-1.0	-47.45	398.32	4.56	-42.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020273296	0	55	-1.0	-41.50	427.01	9.08	-32.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020273296	1	55	-1.0	-41.49	427.07	9.09	-32.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020273297	0	52	-1.0	-42.44	418.26	8.46	-33.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020273297	1	52	-1.0	-42.44	418.32	8.48	-33.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C(C)C)C=C1	REAL300020273298	0	56	-1.0	-40.07	424.59	8.42	-31.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C(C)C)C=C1	REAL300020273298	1	56	-1.0	-40.09	424.61	8.44	-31.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020273299	0	47	-1.0	-40.07	398.55	7.36	-32.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020273299	1	47	-1.0	-40.12	398.60	7.37	-32.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020273300	0	44	-1.0	-42.50	370.93	6.70	-35.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020273300	1	44	-1.0	-42.50	370.98	6.72	-35.78
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273301	0	48	-1.0	-54.16	398.87	1.33	-52.83
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273301	1	48	-1.0	-54.17	398.93	1.35	-52.82
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273302	0	45	-1.0	-57.58	377.45	0.56	-57.02
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273302	1	45	-1.0	-57.56	377.51	0.61	-56.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020273303	0	49	-1.0	-52.32	419.08	2.59	-49.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020273303	1	49	-1.0	-52.32	419.13	2.61	-49.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020273304	0	46	-1.0	-55.23	393.58	1.46	-53.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020273304	1	46	-1.0	-55.21	393.64	1.48	-53.73
CCN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273305	0	49	-1.0	-40.29	390.03	6.17	-34.12
CCN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273305	1	49	-1.0	-40.31	390.09	6.19	-34.12
CCN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273306	0	46	-1.0	-42.33	368.70	5.44	-36.89
CCN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273306	1	46	-1.0	-42.38	368.76	5.47	-36.91
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273307	0	53	-1.0	-41.16	417.65	8.32	-32.84
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273307	1	53	-1.0	-41.09	417.71	8.31	-32.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020273308	0	47	-1.0	-42.01	393.50	6.84	-35.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020273308	1	47	-1.0	-42.04	393.56	6.85	-35.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020273309	0	44	-1.0	-44.56	372.05	6.05	-38.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020273309	1	44	-1.0	-44.56	372.11	6.08	-38.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020273310	0	47	-1.0	-38.85	399.21	7.56	-31.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020273310	1	47	-1.0	-38.82	399.27	7.57	-31.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020273311	0	44	-1.0	-43.63	366.13	5.87	-37.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020273311	1	44	-1.0	-43.64	366.18	5.89	-37.75
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020273312	0	52	-1.0	-47.07	423.20	8.23	-38.84
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020273312	1	52	-1.0	-47.07	423.14	8.21	-38.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020273313	0	49	-1.0	-47.72	396.41	7.91	-39.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020273313	1	49	-1.0	-47.74	396.36	7.89	-39.85
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSC	REAL300020273314	0	49	-1.0	-39.55	390.58	6.61	-32.94
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSC	REAL300020273314	1	49	-1.0	-39.59	390.64	6.62	-32.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSC	REAL300020273315	0	46	-1.0	-41.51	382.16	5.99	-35.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSC	REAL300020273315	1	46	-1.0	-41.45	382.21	6.02	-35.43
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020273316	0	42	-1.0	-44.23	354.74	4.28	-39.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020273316	1	42	-1.0	-44.21	354.79	4.29	-39.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020273317	0	39	-1.0	-46.35	339.70	3.39	-42.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020273317	1	39	-1.0	-46.34	339.64	3.37	-42.97
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NOC=C1	REAL300020273318	0	46	-1.0	-45.78	377.69	6.20	-39.58
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NOC=C1	REAL300020273318	1	46	-1.0	-45.73	377.73	6.19	-39.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020273319	0	50	-1.0	-44.02	412.22	7.93	-36.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020273319	1	50	-1.0	-44.01	412.27	7.95	-36.06
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020273320	0	55	0.0	-64.36	398.36	6.98	-57.38
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020273320	1	55	0.0	-63.33	407.51	6.96	-56.37
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020273320	1	55	0.0	-64.39	398.41	6.99	-57.40
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020273320	1	55	0.0	-63.35	407.57	6.98	-56.37
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020273321	0	52	0.0	-62.43	382.51	6.18	-56.25
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020273321	1	52	0.0	-61.84	381.93	6.23	-55.61
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020273321	1	52	0.0	-62.39	382.55	6.20	-56.19
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020273321	1	52	0.0	-61.82	381.98	6.25	-55.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020273322	0	56	-1.0	-41.49	439.01	9.31	-32.18
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020273322	1	56	-1.0	-41.52	439.07	9.33	-32.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020273323	0	53	-1.0	-44.24	414.52	8.37	-35.87
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020273323	1	53	-1.0	-44.22	414.60	8.39	-35.83
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273324	0	53	-1.0	-40.04	419.41	7.47	-32.57
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273324	1	53	-1.0	-40.10	419.47	7.49	-32.61
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273325	0	50	-1.0	-43.28	399.40	6.94	-36.34
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273325	1	50	-1.0	-43.30	399.31	6.91	-36.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020273326	0	56	-1.0	-43.75	439.86	5.72	-38.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020273326	1	56	-1.0	-43.76	439.92	5.73	-38.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020273327	0	53	-1.0	-46.55	415.39	5.04	-41.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020273327	1	53	-1.0	-46.56	415.44	5.07	-41.49
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1(C)C	REAL300020273328	0	56	-1.0	-39.90	439.30	6.49	-33.41
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1(C)C	REAL300020273328	1	56	-1.0	-39.90	439.35	6.50	-33.40
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1(C)C	REAL300020273329	0	53	-1.0	-41.73	418.09	5.73	-36.00
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1(C)C	REAL300020273329	1	53	-1.0	-41.79	418.15	5.76	-36.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020273330	0	56	-1.0	-40.01	453.71	9.29	-30.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020273330	1	56	-1.0	-39.99	453.77	9.31	-30.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020273331	0	53	-1.0	-42.99	432.21	8.50	-34.49
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020273331	1	53	-1.0	-43.01	432.27	8.52	-34.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C	REAL300020273332	0	46	-1.0	-40.05	364.28	5.62	-34.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C	REAL300020273332	1	46	-1.0	-40.02	364.34	5.63	-34.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C	REAL300020273333	0	43	-1.0	-42.74	349.87	5.05	-37.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C	REAL300020273333	1	43	-1.0	-42.69	349.81	5.03	-37.66
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020273334	0	50	-1.0	-40.83	399.58	7.80	-33.03
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020273334	1	50	-1.0	-40.75	399.41	7.78	-32.97
CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CC(OCC)C1(C)C	REAL300020273335	0	59	-1.0	-41.53	441.52	5.75	-35.78
CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CC(OCC)C1(C)C	REAL300020273335	1	59	-1.0	-41.55	441.57	5.77	-35.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020273336	0	50	-1.0	-39.55	415.03	8.03	-31.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020273336	1	50	-1.0	-39.56	415.08	8.05	-31.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020273337	0	47	-1.0	-42.70	393.87	7.31	-35.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020273337	1	47	-1.0	-42.72	393.81	7.29	-35.43
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)S1	REAL300020273338	0	51	-1.0	-42.32	429.70	5.19	-37.13
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)S1	REAL300020273338	1	51	-1.0	-42.34	429.76	5.21	-37.13
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020273339	0	56	-1.0	-40.80	426.20	8.21	-32.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020273339	1	56	-1.0	-40.77	426.26	8.22	-32.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020273340	0	53	-1.0	-43.12	408.27	9.24	-33.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020273340	1	53	-1.0	-43.11	408.22	9.21	-33.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020273341	0	56	-1.0	-42.56	436.91	3.87	-38.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020273341	1	56	-1.0	-42.53	436.96	3.90	-38.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020273341	1	57	0.0	-65.70	436.10	6.05	-59.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020273342	0	54	-1.0	-43.08	428.52	5.33	-37.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020273342	1	54	-1.0	-43.05	428.58	5.34	-37.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020273343	0	44	-1.0	-42.82	371.03	5.19	-37.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020273343	1	44	-1.0	-42.82	371.09	5.21	-37.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020273344	0	41	-1.0	-41.69	352.13	5.40	-36.29
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020273344	1	41	-1.0	-41.71	352.18	5.42	-36.29
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020273345	0	47	-1.0	-43.38	380.78	2.69	-40.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020273345	1	47	-1.0	-43.42	380.84	2.71	-40.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020273346	0	44	-1.0	-43.47	355.14	1.99	-41.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020273346	1	44	-1.0	-43.47	355.08	1.97	-41.50
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020273347	0	51	-1.0	-44.82	408.31	4.65	-40.17
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020273347	1	51	-1.0	-44.80	408.36	4.65	-40.15
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273348	0	53	-1.0	-44.50	435.04	5.00	-39.50
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273348	1	53	-1.0	-44.48	435.09	5.02	-39.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020273349	0	57	0.0	-65.57	429.35	4.76	-60.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020273349	1	57	0.0	-66.42	420.40	5.46	-60.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020273349	1	57	0.0	-65.56	429.40	4.78	-60.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020273349	1	57	0.0	-66.43	420.45	5.49	-60.94
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020273350	0	51	-1.0	-40.11	415.42	8.48	-31.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020273350	1	51	-1.0	-40.13	415.47	8.50	-31.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020273351	0	48	-1.0	-43.72	387.72	7.82	-35.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020273351	1	48	-1.0	-43.68	387.67	7.79	-35.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020273352	0	50	-1.0	-39.80	395.20	7.25	-32.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020273352	1	50	-1.0	-39.78	395.26	7.26	-32.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020273353	0	47	-1.0	-44.22	373.07	5.60	-38.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020273353	1	47	-1.0	-44.20	373.12	5.62	-38.58
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020273354	0	54	-1.0	-40.33	420.14	8.53	-31.80
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020273354	1	54	-1.0	-40.32	420.19	8.52	-31.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020273355	0	47	-1.0	-44.51	388.86	7.14	-37.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020273355	1	47	-1.0	-44.49	388.94	7.16	-37.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020273356	0	56	-1.0	-44.94	431.92	7.90	-37.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020273356	1	56	-1.0	-44.95	431.97	7.92	-37.03
CCCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273357	0	52	-1.0	-41.23	426.76	7.53	-33.70
CCCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273357	1	52	-1.0	-41.25	426.82	7.54	-33.71
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273358	0	49	-1.0	-43.65	405.14	6.87	-36.78
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273358	1	49	-1.0	-43.65	405.19	6.89	-36.76
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273359	0	47	-1.0	-40.22	387.99	4.14	-36.08
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273359	1	47	-1.0	-40.24	388.04	4.16	-36.08
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273360	0	44	-1.0	-42.49	366.59	3.38	-39.11
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273360	1	44	-1.0	-42.46	366.54	3.36	-39.10
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273361	0	51	-1.0	-41.67	420.57	5.95	-35.72
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273361	1	51	-1.0	-41.66	420.61	5.94	-35.72
CCCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273362	0	58	-1.0	-40.10	438.10	7.44	-32.66
CCCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273362	1	58	-1.0	-40.10	438.16	7.45	-32.65
CCCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273363	0	55	-1.0	-42.17	416.59	6.65	-35.52
CCCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273363	1	55	-1.0	-42.13	416.64	6.67	-35.46
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273364	0	51	-1.0	-41.17	396.89	6.05	-35.12
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273364	1	51	-1.0	-41.16	396.94	6.07	-35.09
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273365	0	48	-1.0	-43.56	372.88	5.30	-38.26
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273365	1	48	-1.0	-43.60	372.94	5.32	-38.28
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273366	0	55	-1.0	-40.91	424.73	8.35	-32.56
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273366	1	55	-1.0	-40.86	424.76	8.34	-32.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC(C)C	REAL300020273367	0	55	-1.0	-41.32	416.18	7.24	-34.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC(C)C	REAL300020273367	1	55	-1.0	-41.31	416.24	7.25	-34.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC(C)C	REAL300020273368	0	52	-1.0	-42.98	401.78	5.70	-37.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC(C)C	REAL300020273368	1	52	-1.0	-42.99	401.84	5.72	-37.27
CCC(CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1=CC=CC=C1	REAL300020273369	0	58	-1.0	-42.14	458.36	9.92	-32.22
CCC(CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1=CC=CC=C1	REAL300020273369	1	58	-1.0	-42.11	458.41	9.94	-32.17
CCC(CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1=CC=CC=C1	REAL300020273370	0	55	-1.0	-48.34	432.11	7.83	-40.51
CCC(CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1=CC=CC=C1	REAL300020273370	1	55	-1.0	-48.39	432.16	7.85	-40.54
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020273371	0	53	-1.0	-48.85	421.33	4.99	-43.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020273371	1	53	-1.0	-48.87	421.39	5.01	-43.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020273372	0	50	-1.0	-53.83	379.08	4.17	-49.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020273372	1	50	-1.0	-53.85	379.14	4.17	-49.68
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020273373	0	55	-1.0	-41.27	423.38	7.23	-34.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020273373	1	55	-1.0	-41.29	423.43	7.25	-34.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020273374	0	52	-1.0	-44.82	401.88	6.45	-38.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020273374	1	52	-1.0	-44.80	401.93	6.47	-38.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020273375	0	51	-1.0	-43.57	418.90	4.10	-39.47
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020273375	1	51	-1.0	-43.56	418.96	4.12	-39.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020273376	0	48	-1.0	-44.96	403.67	3.22	-41.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020273376	1	48	-1.0	-44.95	403.72	3.25	-41.70
CCN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273377	0	50	-1.0	-41.80	387.17	3.97	-37.83
CCN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273377	1	50	-1.0	-41.81	387.23	3.98	-37.83
CCN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273378	0	47	-1.0	-46.53	370.20	3.26	-43.27
CCN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273378	1	47	-1.0	-46.53	370.26	3.29	-43.24
CCN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273379	0	54	-1.0	-42.93	419.11	5.99	-36.94
CCN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273379	1	54	-1.0	-42.93	419.14	5.99	-36.94
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020273380	0	44	-1.0	-41.65	344.23	4.56	-37.09
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020273380	1	44	-1.0	-41.67	344.29	4.57	-37.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020273381	0	41	-1.0	-44.58	319.26	3.85	-40.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020273381	1	41	-1.0	-44.57	319.21	3.83	-40.74
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020273382	0	48	-1.0	-42.03	372.20	6.91	-35.12
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020273382	1	48	-1.0	-41.98	372.22	6.91	-35.07
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020273383	0	50	-1.0	-41.66	398.03	7.82	-33.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020273383	1	50	-1.0	-41.66	398.09	7.84	-33.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020273384	0	47	-1.0	-41.92	375.03	7.35	-34.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020273384	1	47	-1.0	-41.92	374.99	7.35	-34.57
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273385	0	50	-1.0	-44.24	415.19	7.48	-36.76
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273385	1	50	-1.0	-44.22	415.25	7.50	-36.72
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273386	0	47	-1.0	-42.92	391.11	7.08	-35.84
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273386	1	47	-1.0	-42.91	391.05	7.06	-35.85
CCCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273387	0	58	-1.0	-40.30	446.92	8.94	-31.36
CCCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273387	1	58	-1.0	-40.30	446.98	8.96	-31.34
CCCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273388	0	55	-1.0	-43.77	417.84	7.22	-36.55
CCCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273388	1	55	-1.0	-43.78	417.89	7.24	-36.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020273389	0	54	-1.0	-43.30	417.46	6.45	-36.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020273389	1	54	-1.0	-43.29	417.51	6.46	-36.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020273390	0	51	-1.0	-46.97	422.33	5.24	-41.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020273390	1	51	-1.0	-46.96	422.39	5.26	-41.70
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273391	0	49	-1.0	-43.06	408.19	5.19	-37.87
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273391	1	49	-1.0	-43.09	408.14	5.18	-37.91
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273392	0	46	-1.0	-45.52	386.69	4.41	-41.11
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273392	1	46	-1.0	-45.48	386.64	4.39	-41.09
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCOC)C2)CC1	REAL300020273393	0	58	0.0	-65.05	430.86	5.05	-60.00
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCOC)C2)CC1	REAL300020273393	1	58	0.0	-65.06	430.92	5.06	-60.00
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020273394	0	44	-1.0	-40.52	364.30	6.48	-34.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020273394	1	44	-1.0	-40.54	364.36	6.50	-34.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020273395	0	41	-1.0	-42.97	337.53	5.81	-37.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020273395	1	41	-1.0	-42.97	337.48	5.78	-37.19
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020273396	0	48	-1.0	-41.36	392.70	8.45	-32.91
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020273396	1	48	-1.0	-41.31	392.73	8.44	-32.87
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020273397	0	47	-1.0	-39.13	391.80	6.88	-32.25
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020273397	1	47	-1.0	-39.14	391.86	6.90	-32.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020273398	0	44	-1.0	-42.38	374.06	6.24	-36.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020273398	1	44	-1.0	-42.36	374.01	6.22	-36.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020273399	0	47	-1.0	-42.68	394.13	6.95	-35.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020273399	1	47	-1.0	-42.71	394.19	6.97	-35.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020273400	0	44	-1.0	-43.21	374.23	7.08	-36.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020273400	1	44	-1.0	-43.25	374.29	7.10	-36.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020273401	0	50	-1.0	-42.14	406.65	4.49	-37.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020273401	1	50	-1.0	-42.18	406.71	4.51	-37.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020273402	0	47	-1.0	-43.03	388.48	2.98	-40.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020273402	1	47	-1.0	-42.99	388.42	2.95	-40.04
CCCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273403	0	56	-1.0	-38.91	434.65	6.50	-32.41
CCCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273403	1	56	-1.0	-38.91	434.71	6.52	-32.39
CCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273404	0	53	-1.0	-40.94	409.08	5.57	-35.37
CCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273404	1	53	-1.0	-40.95	409.14	5.59	-35.36
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020273405	0	47	-1.0	-48.64	398.31	0.41	-48.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020273405	1	47	-1.0	-48.68	398.36	0.43	-48.25
CCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273406	0	52	-1.0	-41.75	409.79	4.60	-37.15
CCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273406	1	52	-1.0	-41.76	409.85	4.62	-37.14
CCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273407	0	49	-1.0	-44.52	388.29	3.82	-40.70
CCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273407	1	49	-1.0	-44.56	388.35	3.84	-40.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020273408	0	56	0.0	-66.71	428.52	8.49	-58.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020273408	1	56	0.0	-68.29	442.85	7.67	-60.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020273408	1	55	-1.0	-43.10	432.00	5.30	-37.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020273408	1	55	-1.0	-43.07	432.06	5.32	-37.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020273409	0	49	-1.0	-45.46	405.06	7.00	-38.46
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020273409	1	49	-1.0	-45.45	405.12	7.02	-38.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020273410	0	46	-1.0	-48.17	383.55	6.22	-41.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020273410	1	46	-1.0	-48.23	383.59	6.23	-42.00
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020273411	0	47	-1.0	-43.39	383.65	3.46	-39.93
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020273411	1	47	-1.0	-43.42	383.70	3.48	-39.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020273412	0	44	-1.0	-43.44	357.14	2.99	-40.45
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020273412	1	44	-1.0	-43.46	357.08	2.96	-40.50
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020273413	0	51	-1.0	-44.23	411.89	5.24	-38.99
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020273413	1	51	-1.0	-44.12	411.93	5.23	-38.89
CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273414	0	46	-1.0	-40.50	350.44	4.97	-35.53
CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273414	1	46	-1.0	-40.54	350.49	4.98	-35.56
CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273415	0	43	-1.0	-43.60	331.02	4.61	-38.99
CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273415	1	43	-1.0	-43.61	330.96	4.59	-39.02
CCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273416	0	50	-1.0	-41.47	386.19	7.24	-34.23
CCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273416	1	50	-1.0	-41.39	386.24	7.23	-34.16
CCSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273417	0	53	-1.0	-40.31	421.67	7.70	-32.61
CCSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273417	1	53	-1.0	-40.33	421.73	7.72	-32.61
CCSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273418	0	50	-1.0	-43.48	399.86	7.10	-36.38
CCSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273418	1	50	-1.0	-43.52	399.92	7.11	-36.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020273419	0	56	0.0	-66.88	428.10	8.44	-58.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020273419	1	56	0.0	-69.64	427.94	7.19	-62.45
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020273419	1	55	-1.0	-42.75	432.39	5.17	-37.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020273419	1	55	-1.0	-42.77	432.43	5.18	-37.59
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273420	0	56	-1.0	-40.20	437.78	8.76	-31.44
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273420	1	56	-1.0	-40.21	437.84	8.77	-31.44
C=CCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273421	0	53	-1.0	-44.07	411.59	7.30	-36.77
C=CCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273421	1	53	-1.0	-44.10	411.64	7.32	-36.78
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273422	0	46	-1.0	-39.94	370.31	5.43	-34.51
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273422	1	46	-1.0	-39.94	370.37	5.45	-34.49
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273423	0	43	-1.0	-42.15	348.86	4.67	-37.48
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273423	1	43	-1.0	-42.13	348.80	4.65	-37.48
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273424	0	50	-1.0	-40.93	397.97	7.48	-33.45
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273424	1	50	-1.0	-40.92	398.00	7.46	-33.46
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020273425	0	50	-1.0	-41.89	409.86	3.27	-38.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020273425	1	50	-1.0	-41.93	409.91	3.29	-38.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020273426	0	47	-1.0	-44.84	388.06	2.90	-41.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020273426	1	47	-1.0	-44.88	388.12	2.94	-41.94
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020273427	0	54	-1.0	-42.83	441.99	5.41	-37.42
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020273427	1	54	-1.0	-42.84	442.03	5.39	-37.45
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020273428	0	47	-1.0	-42.61	383.18	6.40	-36.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020273428	1	47	-1.0	-42.65	383.23	6.41	-36.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020273429	0	44	-1.0	-45.29	361.77	5.64	-39.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020273429	1	44	-1.0	-45.28	361.73	5.61	-39.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020273430	0	50	-1.0	-43.75	415.15	7.89	-35.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020273430	1	50	-1.0	-43.77	415.20	7.90	-35.87
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020273431	0	48	-1.0	-52.95	386.97	2.53	-50.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020273431	1	48	-1.0	-52.92	387.03	2.54	-50.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020273432	0	45	-1.0	-52.92	378.61	1.90	-51.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020273432	1	45	-1.0	-52.97	378.67	1.93	-51.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020273433	0	50	-1.0	-39.72	398.39	7.69	-32.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020273433	1	50	-1.0	-39.74	398.44	7.71	-32.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020273434	0	47	-1.0	-42.86	363.81	6.91	-35.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020273434	1	47	-1.0	-42.82	363.76	6.89	-35.93
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020273435	0	53	-1.0	-42.36	424.13	4.52	-37.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020273435	1	53	-1.0	-42.34	424.19	4.54	-37.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020273436	0	50	-1.0	-45.84	403.68	3.81	-42.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020273436	1	50	-1.0	-45.84	403.74	3.83	-42.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020273437	0	44	-1.0	-39.41	367.82	4.58	-34.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020273437	1	44	-1.0	-39.44	367.88	4.59	-34.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020273438	0	41	-1.0	-40.58	342.31	3.81	-36.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020273438	1	41	-1.0	-40.60	342.36	3.83	-36.77
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1C	REAL300020273439	0	48	-1.0	-40.53	391.96	6.48	-34.05
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1C	REAL300020273439	1	48	-1.0	-40.51	392.01	6.47	-34.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020273440	0	51	-1.0	-43.95	401.11	3.71	-40.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020273440	1	51	-1.0	-43.99	401.17	3.72	-40.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020273441	0	48	-1.0	-45.46	383.11	3.43	-42.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020273441	1	48	-1.0	-45.44	383.05	3.40	-42.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020273442	0	48	-1.0	-44.41	384.03	4.20	-40.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020273442	1	48	-1.0	-44.41	383.97	4.17	-40.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020273443	0	50	-1.0	-40.30	391.19	6.48	-33.82
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020273443	1	50	-1.0	-40.32	391.25	6.50	-33.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020273444	0	47	-1.0	-42.16	367.16	5.78	-36.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020273444	1	47	-1.0	-42.18	367.22	5.80	-36.38
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020273445	0	54	-1.0	-41.02	421.24	8.48	-32.54
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020273445	1	54	-1.0	-40.91	421.29	8.47	-32.44
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273446	0	51	-1.0	-42.17	429.40	7.78	-34.39
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273446	1	51	-1.0	-42.15	429.46	7.80	-34.35
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273447	0	48	-1.0	-44.04	408.90	7.07	-36.97
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273447	1	48	-1.0	-44.00	408.84	7.05	-36.95
C#CCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273448	0	41	-1.0	-39.95	348.08	5.33	-34.62
C#CCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273448	1	41	-1.0	-39.98	348.13	5.34	-34.64
C#CCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273449	0	45	-1.0	-42.97	372.72	6.46	-36.51
C#CCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273449	1	45	-1.0	-42.93	372.75	6.45	-36.48
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273450	0	53	-1.0	-40.86	437.00	9.13	-31.73
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273450	1	53	-1.0	-40.88	437.06	9.14	-31.74
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273451	0	50	-1.0	-45.73	410.00	7.48	-38.25
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273451	1	50	-1.0	-45.72	409.95	7.44	-38.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020273452	0	56	-1.0	-41.79	441.05	8.67	-33.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020273452	1	56	-1.0	-41.80	441.10	8.68	-33.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020273453	0	53	-1.0	-44.69	419.59	7.92	-36.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020273453	1	53	-1.0	-44.72	419.54	7.89	-36.83
CCOCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273454	0	49	-1.0	-39.85	385.39	4.25	-35.60
CCOCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273454	1	49	-1.0	-39.89	385.44	4.27	-35.62
CCOCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273455	0	46	-1.0	-42.14	366.60	3.60	-38.54
CCOCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273455	1	46	-1.0	-42.15	366.65	3.63	-38.52
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273456	0	53	-1.0	-40.91	412.82	6.25	-34.66
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273456	1	53	-1.0	-40.84	412.86	6.25	-34.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020273457	0	51	-1.0	-43.87	406.33	5.64	-38.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020273457	1	51	-1.0	-43.82	406.39	5.65	-38.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020273458	0	48	-1.0	-46.77	384.82	4.86	-41.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020273458	1	48	-1.0	-46.78	384.78	4.82	-41.96
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273459	0	48	-1.0	-40.62	408.48	7.68	-32.94
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273459	1	48	-1.0	-40.59	408.53	7.70	-32.89
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273460	0	45	-1.0	-42.74	388.82	6.86	-35.88
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273460	1	45	-1.0	-42.74	388.77	6.85	-35.89
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1CCCC1	REAL300020273461	0	49	-1.0	-40.19	385.95	5.58	-34.61
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1CCCC1	REAL300020273461	1	49	-1.0	-40.23	386.00	5.59	-34.64
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CCCC1	REAL300020273462	0	46	-1.0	-44.85	357.26	4.64	-40.21
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CCCC1	REAL300020273462	1	46	-1.0	-44.85	357.31	4.67	-40.18
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC)C1CCCC1	REAL300020273463	0	53	-1.0	-42.38	402.24	7.22	-35.16
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC)C1CCCC1	REAL300020273463	1	53	-1.0	-42.26	402.25	7.21	-35.05
CCOC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCOC)CC2=C1	REAL300020273464	0	54	-1.0	-41.90	439.03	7.53	-34.37
CCOC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCOC)CC2=C1	REAL300020273464	1	54	-1.0	-41.92	439.09	7.55	-34.37
CCOC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCOC)CC2=C1	REAL300020273465	0	51	-1.0	-46.78	406.63	5.75	-41.03
CCOC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCOC)CC2=C1	REAL300020273465	1	51	-1.0	-46.79	406.68	5.77	-41.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020273466	0	49	-1.0	-41.41	393.60	3.27	-38.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020273466	1	49	-1.0	-41.44	393.66	3.29	-38.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020273467	0	46	-1.0	-44.92	384.23	2.54	-42.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020273467	1	46	-1.0	-44.91	384.29	2.56	-42.35
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020273468	0	53	-1.0	-42.48	434.11	5.35	-37.13
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020273468	1	53	-1.0	-42.49	434.14	5.34	-37.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020273469	0	54	-1.0	-41.28	436.21	7.10	-34.18
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020273469	1	54	-1.0	-41.27	436.27	7.12	-34.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020273470	0	51	-1.0	-42.82	423.30	6.59	-36.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020273470	1	51	-1.0	-42.81	423.36	6.61	-36.20
CCOC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C=C1	REAL300020273471	0	54	-1.0	-42.94	418.05	6.59	-36.35
CCOC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C=C1	REAL300020273471	1	54	-1.0	-42.95	418.10	6.62	-36.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C(C)C)C=C1)C1CC1	REAL300020273472	0	56	-1.0	-42.50	454.04	9.22	-33.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C(C)C)C=C1)C1CC1	REAL300020273472	1	56	-1.0	-42.49	454.08	9.24	-33.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020273473	0	50	-1.0	-40.04	413.10	7.88	-32.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020273473	1	50	-1.0	-40.09	413.16	7.90	-32.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020273474	0	47	-1.0	-41.56	400.21	7.35	-34.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020273474	1	47	-1.0	-41.58	400.26	7.38	-34.20
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020273475	0	53	-1.0	-42.08	424.84	3.34	-38.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020273475	1	53	-1.0	-42.03	424.89	3.36	-38.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020273476	0	50	-1.0	-43.57	407.07	2.68	-40.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020273476	1	50	-1.0	-43.54	407.13	2.71	-40.83
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020273477	0	49	-1.0	-39.66	409.42	7.13	-32.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020273477	1	49	-1.0	-39.67	409.48	7.15	-32.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020273478	0	46	-1.0	-41.58	388.05	6.34	-35.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020273478	1	46	-1.0	-41.60	387.99	6.32	-35.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020273479	0	50	-1.0	-45.52	387.19	4.89	-40.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020273479	1	50	-1.0	-45.54	387.25	4.90	-40.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020273480	0	47	-1.0	-48.76	365.48	4.12	-44.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020273480	1	47	-1.0	-48.82	365.53	4.14	-44.68
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020273481	0	50	-1.0	-41.87	396.25	8.37	-33.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020273481	1	50	-1.0	-41.84	396.30	8.39	-33.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020273482	0	47	-1.0	-44.46	372.46	7.06	-37.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020273482	1	47	-1.0	-44.42	372.40	7.04	-37.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020273483	0	54	-1.0	-44.40	429.41	7.77	-36.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020273483	1	54	-1.0	-44.42	429.47	7.78	-36.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020273484	0	51	-1.0	-47.59	411.44	7.18	-40.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020273484	1	51	-1.0	-47.64	411.50	7.20	-40.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020273485	0	44	-1.0	-41.97	367.91	5.59	-36.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020273485	1	44	-1.0	-41.99	367.97	5.61	-36.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020273486	0	41	-1.0	-44.17	346.54	4.82	-39.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020273486	1	41	-1.0	-44.17	346.49	4.79	-39.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020273487	0	49	-1.0	-40.48	408.97	7.67	-32.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020273487	1	49	-1.0	-40.49	409.03	7.68	-32.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020273488	0	46	-1.0	-42.47	394.24	6.38	-36.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020273488	1	46	-1.0	-42.52	394.30	6.41	-36.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020273489	0	53	-1.0	-41.27	417.22	7.37	-33.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020273489	1	53	-1.0	-41.29	417.28	7.38	-33.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020273490	0	50	-1.0	-43.17	398.47	6.56	-36.61
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020273490	1	50	-1.0	-43.17	398.53	6.58	-36.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020273491	0	51	-1.0	-49.66	419.63	2.45	-47.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020273491	1	51	-1.0	-49.64	419.69	2.46	-47.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020273492	0	48	-1.0	-52.22	398.13	1.66	-50.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020273492	1	48	-1.0	-52.15	398.19	1.69	-50.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020273493	0	58	-1.0	-42.16	440.91	4.70	-37.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020273493	1	58	-1.0	-42.14	440.96	4.72	-37.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020273493	1	59	0.0	-65.88	433.53	6.40	-59.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020273494	0	47	-1.0	-39.79	382.96	6.40	-33.39
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020273494	1	47	-1.0	-39.80	383.01	6.41	-33.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020273495	0	44	-1.0	-42.84	350.38	5.96	-36.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020273495	1	44	-1.0	-42.81	350.44	5.97	-36.84
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020273496	0	51	-1.0	-41.12	407.62	8.62	-32.50
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020273496	1	51	-1.0	-41.08	407.66	8.61	-32.47
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020273497	0	51	-1.0	-41.46	399.08	5.13	-36.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020273497	1	51	-1.0	-41.47	399.14	5.15	-36.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020273498	0	48	-1.0	-43.76	373.19	4.30	-39.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020273498	1	48	-1.0	-43.81	373.24	4.32	-39.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020273499	0	53	-1.0	-43.88	431.58	5.31	-38.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020273499	1	53	-1.0	-43.89	431.64	5.33	-38.56
CCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273500	0	49	-1.0	-40.58	377.56	6.04	-34.54
CCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273500	1	49	-1.0	-40.57	377.61	6.05	-34.52
CCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273501	0	46	-1.0	-42.28	359.00	5.42	-36.86
CCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273501	1	46	-1.0	-42.24	359.06	5.44	-36.80
CCC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020273502	0	53	-1.0	-41.01	408.83	8.19	-32.82
CCC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020273502	1	53	-1.0	-41.02	408.87	8.19	-32.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020273503	0	56	-1.0	-43.56	440.40	9.21	-34.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020273503	1	56	-1.0	-43.56	440.46	9.23	-34.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020273504	0	54	-1.0	-40.44	418.83	5.76	-34.68
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020273504	1	54	-1.0	-40.43	418.88	5.77	-34.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020273505	0	51	-1.0	-43.44	400.48	5.07	-38.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020273505	1	51	-1.0	-43.45	400.53	5.10	-38.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020273506	0	46	-1.0	-41.03	401.24	7.52	-33.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020273506	1	46	-1.0	-41.08	401.29	7.54	-33.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020273507	0	43	-1.0	-41.83	386.01	6.64	-35.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020273507	1	43	-1.0	-41.85	386.07	6.67	-35.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020273508	0	49	-1.0	-42.38	411.47	5.97	-36.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020273508	1	49	-1.0	-42.41	411.52	5.99	-36.42
CCC1=CN=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)S1	REAL300020273509	0	48	-1.0	-39.79	408.22	5.98	-33.81
CCC1=CN=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)S1	REAL300020273509	1	48	-1.0	-39.82	408.28	6.00	-33.82
CCC1=CN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)S1	REAL300020273510	0	45	-1.0	-42.16	386.50	5.19	-36.97
CCC1=CN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)S1	REAL300020273510	1	45	-1.0	-42.20	386.57	5.21	-36.99
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020273511	0	50	-1.0	-43.62	403.38	2.78	-40.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020273511	1	50	-1.0	-43.61	403.43	2.79	-40.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020273512	0	47	-1.0	-46.57	382.67	1.80	-44.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020273512	1	47	-1.0	-46.60	382.73	1.82	-44.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020273513	0	53	-1.0	-40.49	438.19	5.99	-34.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020273513	1	53	-1.0	-40.50	438.24	6.01	-34.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020273514	0	50	-1.0	-41.71	416.60	5.21	-36.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020273514	1	50	-1.0	-41.69	416.66	5.23	-36.46
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020273515	0	56	-1.0	-46.53	440.71	6.15	-40.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020273515	1	56	-1.0	-46.58	440.77	6.16	-40.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020273516	0	53	-1.0	-48.34	418.85	5.39	-42.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020273516	1	53	-1.0	-48.32	418.90	5.41	-42.91
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020273517	0	46	-1.0	-40.64	397.64	7.15	-33.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020273517	1	46	-1.0	-40.67	397.70	7.16	-33.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020273518	0	43	-1.0	-42.41	376.14	6.36	-36.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020273518	1	43	-1.0	-42.42	376.19	6.39	-36.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(COC)C1	REAL300020273519	0	51	-1.0	-40.44	411.41	3.95	-36.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(COC)C1	REAL300020273519	1	51	-1.0	-40.47	411.47	3.96	-36.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(COC)C1	REAL300020273520	0	48	-1.0	-41.92	389.91	3.16	-38.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(COC)C1	REAL300020273520	1	48	-1.0	-41.97	389.97	3.19	-38.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020273521	0	47	-1.0	-44.21	396.46	4.05	-40.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020273521	1	47	-1.0	-44.23	396.51	4.06	-40.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020273522	0	44	-1.0	-46.13	374.89	3.27	-42.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020273522	1	44	-1.0	-46.09	374.95	3.30	-42.79
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020273523	0	47	-1.0	-52.18	374.51	1.52	-50.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020273523	1	47	-1.0	-52.19	374.56	1.54	-50.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020273524	0	44	-1.0	-53.87	353.76	0.71	-53.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020273524	1	44	-1.0	-53.87	353.81	0.74	-53.13
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020273525	0	51	-1.0	-52.24	406.35	3.69	-48.55
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020273525	1	51	-1.0	-52.25	406.40	3.68	-48.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020273526	0	49	-1.0	-44.80	394.14	5.48	-39.32
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020273526	1	49	-1.0	-44.83	394.20	5.50	-39.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020273527	0	46	-1.0	-44.26	375.59	4.86	-39.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020273527	1	46	-1.0	-44.28	375.65	4.88	-39.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(COC)CC1	REAL300020273528	0	53	-1.0	-39.92	412.06	5.18	-34.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(COC)CC1	REAL300020273528	1	53	-1.0	-39.92	412.12	5.19	-34.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(COC)CC1	REAL300020273529	0	50	-1.0	-42.47	390.54	4.62	-37.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(COC)CC1	REAL300020273529	1	50	-1.0	-42.47	390.60	4.65	-37.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020273530	0	51	-1.0	-39.72	409.99	6.05	-33.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020273530	1	51	-1.0	-39.74	410.05	6.06	-33.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020273531	0	48	-1.0	-42.62	381.42	5.38	-37.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020273531	1	48	-1.0	-42.59	381.48	5.40	-37.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020273532	0	49	-1.0	-40.73	414.15	7.59	-33.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020273532	1	49	-1.0	-40.76	414.21	7.60	-33.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020273533	0	46	-1.0	-42.79	392.71	6.83	-35.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020273533	1	46	-1.0	-42.83	392.65	6.80	-36.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020273534	0	47	-1.0	-39.82	383.06	4.28	-35.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020273534	1	47	-1.0	-39.83	383.12	4.30	-35.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020273535	0	44	-1.0	-41.92	360.86	3.71	-38.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020273535	1	44	-1.0	-41.93	360.92	3.73	-38.20
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020273536	0	51	-1.0	-41.30	400.02	6.32	-34.98
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020273536	1	51	-1.0	-41.30	400.05	6.31	-34.99
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273537	0	52	-1.0	-43.53	417.48	6.65	-36.88
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273537	1	52	-1.0	-43.54	417.53	6.66	-36.88
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273538	0	49	-1.0	-47.94	396.62	6.05	-41.89
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273538	1	49	-1.0	-47.92	396.67	6.07	-41.85
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020273539	0	50	-1.0	-39.90	392.39	5.23	-34.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020273539	1	50	-1.0	-39.89	392.45	5.25	-34.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020273540	0	47	-1.0	-42.47	371.09	4.45	-38.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020273540	1	47	-1.0	-42.45	371.14	4.48	-37.97
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020273541	0	54	-1.0	-41.17	415.93	7.15	-34.02
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020273541	1	54	-1.0	-41.09	415.96	7.15	-33.94
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020273542	0	49	-1.0	-39.62	406.60	7.52	-32.10
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020273542	1	49	-1.0	-39.64	406.65	7.54	-32.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020273543	0	46	-1.0	-42.02	384.88	6.79	-35.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020273543	1	46	-1.0	-42.01	384.82	6.76	-35.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020273544	0	54	-1.0	-41.31	434.65	7.49	-33.82
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020273544	1	54	-1.0	-41.27	434.71	7.50	-33.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020273545	0	51	-1.0	-43.41	415.74	6.79	-36.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020273545	1	51	-1.0	-43.41	415.79	6.82	-36.59
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC(C)O1	REAL300020273546	0	50	-1.0	-39.52	398.58	5.51	-34.01
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC(C)O1	REAL300020273546	1	50	-1.0	-39.50	398.63	5.53	-33.97
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC(C)O1	REAL300020273547	0	47	-1.0	-41.51	377.08	4.73	-36.78
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC(C)O1	REAL300020273547	1	47	-1.0	-41.56	377.14	4.75	-36.81
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CC(C)O1	REAL300020273548	0	54	-1.0	-40.83	425.85	7.26	-33.57
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC(C)O1	REAL300020273548	1	54	-1.0	-40.82	425.90	7.25	-33.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020273549	0	54	-1.0	-43.40	433.72	7.93	-35.47
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020273549	1	54	-1.0	-43.44	433.77	7.94	-35.50
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020273550	0	42	-1.0	-41.14	365.69	5.05	-36.09
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020273550	1	42	-1.0	-41.12	365.75	5.06	-36.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020273551	0	39	-1.0	-42.40	344.13	4.27	-38.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020273551	1	39	-1.0	-42.40	344.19	4.30	-38.10
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(F)(F)F	REAL300020273552	0	46	-1.0	-42.38	394.00	7.06	-35.32
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(F)(F)F	REAL300020273552	1	46	-1.0	-42.37	394.04	7.05	-35.32
CCC1=NC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)=CS1	REAL300020273553	0	48	-1.0	-42.57	407.52	5.46	-37.11
CCC1=NC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)=CS1	REAL300020273553	1	48	-1.0	-42.59	407.57	5.47	-37.12
CCC1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)=CS1	REAL300020273554	0	45	-1.0	-46.84	386.01	4.67	-42.17
CCC1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)=CS1	REAL300020273554	1	45	-1.0	-46.87	386.07	4.70	-42.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020273555	0	42	-1.0	-42.72	364.09	3.99	-38.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020273555	1	42	-1.0	-42.68	364.14	4.00	-38.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020273556	0	39	-1.0	-44.74	348.82	3.14	-41.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020273556	1	39	-1.0	-44.70	348.76	3.12	-41.58
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CSC=N1	REAL300020273557	0	46	-1.0	-44.17	387.04	5.92	-38.25
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CSC=N1	REAL300020273557	1	46	-1.0	-44.16	387.07	5.91	-38.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020273558	0	51	-1.0	-49.23	418.29	2.25	-46.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020273558	1	51	-1.0	-49.27	418.35	2.27	-47.00
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020273559	0	52	-1.0	-39.46	398.47	6.26	-33.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020273559	1	52	-1.0	-39.42	398.53	6.28	-33.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020273560	0	49	-1.0	-42.49	375.12	5.84	-36.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020273560	1	49	-1.0	-42.51	375.17	5.86	-36.65
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020273561	0	56	-1.0	-41.33	419.25	8.44	-32.89
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020273561	1	56	-1.0	-41.34	419.28	8.43	-32.91
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020273562	0	52	-1.0	-39.53	396.70	7.03	-32.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020273562	1	52	-1.0	-39.54	396.76	7.05	-32.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020273563	0	49	-1.0	-42.20	378.16	6.16	-36.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020273563	1	49	-1.0	-42.27	378.21	6.18	-36.09
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020273564	0	56	-1.0	-40.09	423.62	8.96	-31.13
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020273564	1	56	-1.0	-40.11	423.66	8.95	-31.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020273565	0	52	-1.0	-40.30	408.37	3.36	-36.94
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020273565	1	52	-1.0	-40.27	408.43	3.37	-36.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020273566	0	49	-1.0	-41.93	390.57	2.98	-38.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020273566	1	49	-1.0	-41.91	390.63	3.01	-38.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020273567	0	55	-1.0	-40.01	424.28	5.77	-34.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020273567	1	55	-1.0	-40.04	424.34	5.79	-34.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020273568	0	52	-1.0	-43.49	398.67	4.97	-38.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020273568	1	52	-1.0	-43.50	398.73	4.99	-38.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020273569	0	55	-1.0	-43.10	442.28	7.32	-35.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020273569	1	55	-1.0	-43.11	442.34	7.34	-35.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020273570	0	59	-1.0	-39.79	430.11	8.58	-31.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020273570	1	59	-1.0	-39.86	430.16	8.60	-31.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020273571	0	56	-1.0	-43.89	398.22	7.26	-36.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020273571	1	56	-1.0	-43.87	398.28	7.28	-36.59
CCC1(CC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCS1	REAL300020273572	0	53	-1.0	-38.22	413.74	7.52	-30.70
CCC1(CC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCS1	REAL300020273572	1	53	-1.0	-38.27	413.80	7.54	-30.73
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCS1	REAL300020273573	0	50	-1.0	-40.66	391.10	7.03	-33.63
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCS1	REAL300020273573	1	50	-1.0	-40.67	391.16	7.04	-33.63
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020273574	0	52	-1.0	-39.57	410.32	6.00	-33.57
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020273574	1	52	-1.0	-39.55	410.38	6.02	-33.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020273575	0	49	-1.0	-41.86	388.25	5.26	-36.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020273575	1	49	-1.0	-41.90	388.30	5.29	-36.61
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020273576	0	47	-1.0	-39.58	372.45	6.42	-33.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020273576	1	47	-1.0	-39.57	372.53	6.43	-33.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020273577	0	44	-1.0	-41.90	359.71	5.73	-36.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020273577	1	44	-1.0	-41.94	359.77	5.75	-36.19
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020273578	0	51	-1.0	-40.58	407.31	8.72	-31.86
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020273578	1	51	-1.0	-40.60	407.37	8.71	-31.89
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273579	0	55	-1.0	-39.62	405.17	7.18	-32.44
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273579	1	55	-1.0	-39.66	405.23	7.20	-32.46
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273580	0	52	-1.0	-41.10	386.90	6.35	-34.75
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273580	1	52	-1.0	-41.11	386.94	6.36	-34.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020273581	0	49	-1.0	-47.76	398.83	4.41	-43.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020273581	1	49	-1.0	-47.74	398.89	4.43	-43.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020273582	0	55	-1.0	-39.05	408.04	6.82	-32.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020273582	1	55	-1.0	-39.02	408.09	6.83	-32.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020273583	0	52	-1.0	-41.56	389.70	6.35	-35.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020273583	1	52	-1.0	-41.61	389.75	6.38	-35.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)C1	REAL300020273584	0	52	-1.0	-40.19	403.48	7.18	-33.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)C1	REAL300020273584	1	52	-1.0	-40.17	403.54	7.19	-32.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)C1	REAL300020273585	0	49	-1.0	-42.56	380.69	6.37	-36.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)C1	REAL300020273585	1	49	-1.0	-42.58	380.74	6.40	-36.18
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(C)C)C1	REAL300020273586	0	56	-1.0	-41.02	431.90	9.17	-31.85
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(C)C)C1	REAL300020273586	1	56	-1.0	-40.96	431.94	9.17	-31.79
COCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273587	0	54	-1.0	-41.09	437.83	4.45	-36.64
COCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273587	1	54	-1.0	-41.09	437.89	4.47	-36.62
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273588	0	51	-1.0	-44.29	413.18	3.79	-40.50
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273588	1	51	-1.0	-44.26	413.24	3.81	-40.45
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC)C1	REAL300020273589	0	47	-1.0	-40.28	374.50	4.07	-36.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC)C1	REAL300020273589	1	47	-1.0	-40.26	374.56	4.08	-36.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)C1	REAL300020273590	0	44	-1.0	-42.46	356.50	3.47	-38.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)C1	REAL300020273590	1	44	-1.0	-42.47	356.56	3.49	-38.98
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COC)C1	REAL300020273591	0	51	-1.0	-41.18	406.49	6.07	-35.11
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COC)C1	REAL300020273591	1	51	-1.0	-41.10	406.53	6.06	-35.04
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273592	0	52	-1.0	-40.52	391.05	7.00	-33.52
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273592	1	52	-1.0	-40.50	391.10	7.01	-33.49
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273593	0	49	-1.0	-41.44	364.12	6.31	-35.13
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273593	1	49	-1.0	-41.42	364.18	6.34	-35.08
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020273594	0	56	-1.0	-41.25	418.67	8.31	-32.94
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020273594	1	56	-1.0	-41.22	418.68	8.31	-32.91
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020273595	0	55	-1.0	-43.49	444.39	7.28	-36.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020273595	1	55	-1.0	-43.42	444.45	7.29	-36.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020273596	0	52	-1.0	-45.46	422.87	6.49	-38.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020273596	1	52	-1.0	-45.47	422.93	6.52	-38.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020273597	0	54	-1.0	-40.94	432.50	7.28	-33.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020273597	1	54	-1.0	-40.94	432.56	7.29	-33.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020273598	0	51	-1.0	-44.22	407.35	6.61	-37.61
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020273598	1	51	-1.0	-44.22	407.41	6.64	-37.58
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273599	0	47	-1.0	-39.15	383.34	6.35	-32.80
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273599	1	47	-1.0	-39.21	383.39	6.37	-32.84
C=CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273600	0	44	-1.0	-41.67	361.89	5.59	-36.08
C=CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273600	1	44	-1.0	-41.63	361.83	5.57	-36.06
C=CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CC1	REAL300020273601	0	51	-1.0	-39.98	410.27	8.32	-31.66
C=CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1	REAL300020273601	1	51	-1.0	-39.99	410.31	8.32	-31.67
CCCC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273602	0	56	-1.0	-46.15	451.44	5.12	-41.03
CCCC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273602	1	56	-1.0	-46.17	451.50	5.13	-41.04
CCCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273603	0	53	-1.0	-49.20	429.93	4.33	-44.87
CCCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273603	1	53	-1.0	-49.25	429.99	4.36	-44.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020273604	0	56	-1.0	-45.18	445.88	5.14	-40.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020273604	1	56	-1.0	-45.18	445.94	5.16	-40.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020273605	0	53	-1.0	-47.07	424.85	4.36	-42.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020273605	1	53	-1.0	-47.07	424.90	4.38	-42.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020273606	0	54	-1.0	-49.51	442.67	3.72	-45.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020273606	1	54	-1.0	-49.56	442.73	3.73	-45.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020273607	0	51	-1.0	-52.70	421.15	2.93	-49.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020273607	1	51	-1.0	-52.74	421.21	2.96	-49.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020273608	0	54	-1.0	-49.21	439.03	4.95	-44.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020273608	1	54	-1.0	-49.24	439.09	4.98	-44.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020273609	0	53	-1.0	-47.51	428.67	4.45	-43.06
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020273609	1	53	-1.0	-47.48	428.72	4.46	-43.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020273610	0	50	-1.0	-50.71	407.39	3.46	-47.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020273610	1	50	-1.0	-50.72	407.44	3.48	-47.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020273611	0	53	-1.0	-45.26	429.21	4.26	-41.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020273611	1	53	-1.0	-45.26	429.26	4.27	-40.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020273612	0	50	-1.0	-47.06	407.70	3.47	-43.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020273612	1	50	-1.0	-47.08	407.76	3.49	-43.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020273613	0	54	-1.0	-43.34	419.67	3.62	-39.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020273613	1	54	-1.0	-43.37	419.73	3.64	-39.73
CCOCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273614	0	55	-1.0	-41.28	436.15	3.46	-37.82
CCOCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273614	1	55	-1.0	-41.25	436.21	3.48	-37.77
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273614	1	56	0.0	-65.16	437.00	5.77	-59.39
CCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273615	0	52	-1.0	-43.88	418.10	2.78	-41.10
CCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273615	1	52	-1.0	-43.91	418.16	2.81	-41.10
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273615	1	53	0.0	-63.10	415.01	5.17	-57.93
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020273616	0	55	-1.0	-40.38	439.59	6.79	-33.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020273616	1	55	-1.0	-40.35	439.64	6.81	-33.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020273617	0	52	-1.0	-42.39	417.44	6.21	-36.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020273617	1	52	-1.0	-42.39	417.49	6.24	-36.15
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273618	0	46	-1.0	-40.37	375.86	6.68	-33.69
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273618	1	46	-1.0	-40.36	375.91	6.67	-33.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020273619	0	56	0.0	-66.02	425.12	7.19	-58.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020273619	1	56	0.0	-66.03	425.17	7.21	-58.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020273620	0	53	0.0	-65.42	403.51	6.61	-58.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020273620	1	53	0.0	-65.43	403.57	6.62	-58.81
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020273621	0	49	-1.0	-39.54	387.69	4.16	-35.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020273621	1	49	-1.0	-39.55	387.74	4.18	-35.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020273621	1	50	0.0	-63.02	394.46	6.58	-56.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020273622	0	46	-1.0	-42.10	366.20	3.38	-38.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020273622	1	46	-1.0	-42.12	366.25	3.40	-38.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020273622	1	47	0.0	-59.73	367.46	5.91	-53.82
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020273623	0	53	-1.0	-40.61	414.58	6.11	-34.50
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020273623	1	54	0.0	-67.30	426.10	8.63	-58.67
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020273623	1	53	-1.0	-40.60	414.57	6.10	-34.50
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020273624	0	47	-1.0	-41.79	376.63	4.33	-37.46
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020273624	1	47	-1.0	-41.82	376.69	4.35	-37.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020273625	0	44	-1.0	-42.74	357.29	3.52	-39.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020273625	1	44	-1.0	-42.75	357.34	3.54	-39.21
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020273626	0	51	-1.0	-43.05	400.60	6.25	-36.80
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020273626	1	51	-1.0	-43.01	400.63	6.23	-36.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020273627	0	56	-1.0	-44.28	430.64	5.37	-38.91
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020273627	1	56	-1.0	-44.29	430.70	5.38	-38.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020273628	0	53	-1.0	-44.68	413.47	4.75	-39.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020273628	1	53	-1.0	-44.66	413.53	4.77	-39.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020273629	0	49	-1.0	-44.33	414.49	5.35	-38.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020273629	1	49	-1.0	-44.38	414.43	5.33	-39.05
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020273630	0	43	-1.0	-40.35	361.13	5.33	-35.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020273630	1	43	-1.0	-40.35	361.18	5.34	-35.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020273631	0	40	-1.0	-41.97	339.31	4.55	-37.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020273631	1	40	-1.0	-41.95	339.37	4.57	-37.38
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020273632	0	47	-1.0	-41.65	389.52	7.38	-34.27
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020273632	1	47	-1.0	-41.60	389.57	7.37	-34.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020273633	0	55	-1.0	-42.02	441.98	7.39	-34.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020273633	1	55	-1.0	-42.01	442.03	7.42	-34.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020273634	0	51	-1.0	-47.81	414.54	4.11	-43.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020273634	1	51	-1.0	-47.83	414.59	4.13	-43.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020273635	0	48	-1.0	-51.06	396.74	3.44	-47.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020273635	1	48	-1.0	-51.09	396.79	3.46	-47.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020273636	0	50	-1.0	-48.76	413.37	5.16	-43.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020273636	1	50	-1.0	-48.76	413.32	5.13	-43.63
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020273637	0	49	-1.0	-40.11	400.05	7.64	-32.47
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020273637	1	49	-1.0	-40.12	400.11	7.66	-32.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020273638	0	46	-1.0	-41.99	384.88	6.78	-35.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020273638	1	46	-1.0	-41.98	384.82	6.75	-35.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020273639	0	46	-1.0	-41.87	391.35	7.09	-34.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020273639	1	46	-1.0	-41.84	391.40	7.10	-34.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020273640	0	43	-1.0	-42.66	376.12	6.21	-36.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020273640	1	43	-1.0	-42.65	376.17	6.23	-36.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020273641	0	40	-1.0	-44.15	360.18	5.08	-39.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020273641	1	40	-1.0	-44.15	360.24	5.10	-39.05
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020273642	0	47	-1.0	-42.13	399.50	7.36	-34.77
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020273642	1	47	-1.0	-42.14	399.56	7.37	-34.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020273643	0	44	-1.0	-43.07	384.34	6.49	-36.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020273643	1	44	-1.0	-43.04	384.25	6.47	-36.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020273644	0	47	-1.0	-41.94	406.09	7.20	-34.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020273644	1	47	-1.0	-41.97	406.15	7.22	-34.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020273645	0	44	-1.0	-42.86	384.31	6.50	-36.36
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020273645	1	44	-1.0	-42.84	384.25	6.48	-36.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020273646	0	55	-1.0	-38.99	420.29	7.25	-31.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020273646	1	55	-1.0	-38.96	420.35	7.27	-31.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020273647	0	52	-1.0	-41.99	402.51	6.57	-35.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020273647	1	52	-1.0	-42.00	402.57	6.60	-35.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020273648	0	50	-1.0	-41.80	406.78	7.58	-34.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020273648	1	50	-1.0	-41.81	406.84	7.60	-34.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020273649	0	47	-1.0	-44.15	393.06	6.82	-37.33
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020273649	1	47	-1.0	-44.06	393.10	6.84	-37.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020273650	0	55	-1.0	-39.32	424.06	7.63	-31.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020273650	1	55	-1.0	-39.28	424.12	7.65	-31.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020273651	0	52	-1.0	-43.61	398.93	7.05	-36.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020273651	1	52	-1.0	-43.63	398.98	7.07	-36.56
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020273652	0	53	-1.0	-42.00	417.89	5.60	-36.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020273652	1	53	-1.0	-42.00	417.95	5.61	-36.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020273653	0	50	-1.0	-43.23	396.39	4.81	-38.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020273653	1	50	-1.0	-43.25	396.45	4.83	-38.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020273654	0	50	-1.0	-43.08	402.48	4.26	-38.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020273654	1	50	-1.0	-43.05	402.43	4.24	-38.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020273655	0	47	-1.0	-44.66	380.38	3.73	-40.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020273655	1	47	-1.0	-44.63	380.33	3.71	-40.92
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020273656	0	50	-1.0	-39.29	414.52	7.56	-31.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020273656	1	50	-1.0	-39.25	414.57	7.58	-31.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020273657	0	47	-1.0	-41.05	392.56	6.96	-34.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020273657	1	47	-1.0	-41.10	392.62	6.97	-34.13
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020273658	0	50	-1.0	-41.59	416.28	8.34	-33.25
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020273658	1	50	-1.0	-41.50	416.34	8.35	-33.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020273659	0	47	-1.0	-46.39	400.98	7.56	-38.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020273659	1	47	-1.0	-46.39	400.93	7.54	-38.85
CCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273660	0	45	-1.0	-40.31	356.74	4.58	-35.73
CCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273660	1	45	-1.0	-40.28	356.80	4.59	-35.69
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273661	0	49	-1.0	-41.38	384.17	6.59	-34.79
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273661	1	49	-1.0	-41.29	384.22	6.59	-34.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020273662	0	54	-1.0	-45.49	436.18	5.20	-40.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020273662	1	54	-1.0	-45.47	436.23	5.22	-40.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020273663	0	51	-1.0	-46.73	414.47	4.60	-42.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020273663	1	51	-1.0	-46.76	414.53	4.62	-42.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020273664	0	48	-1.0	-43.19	387.68	3.36	-39.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020273664	1	48	-1.0	-43.25	387.74	3.38	-39.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020273665	0	45	-1.0	-46.33	368.81	2.72	-43.61
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020273665	1	45	-1.0	-46.35	368.87	2.74	-43.61
CCOC(C)C1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)=N1	REAL300020273666	0	51	-1.0	-42.27	432.30	2.45	-39.82
CCOC(C)C1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)=N1	REAL300020273666	1	51	-1.0	-42.27	432.35	2.47	-39.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020273667	0	54	-1.0	-45.42	417.19	5.96	-39.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020273667	1	54	-1.0	-45.41	417.24	5.97	-39.44
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273668	0	58	0.0	-68.18	435.33	7.75	-60.43
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273668	1	58	0.0	-69.03	432.48	7.55	-61.48
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273668	1	58	0.0	-68.19	435.39	7.77	-60.42
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273668	1	58	0.0	-69.07	432.54	7.57	-61.50
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273669	0	55	0.0	-66.75	418.63	7.12	-59.63
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273669	1	55	0.0	-69.71	415.77	6.91	-62.80
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273669	1	55	0.0	-66.76	418.69	7.15	-59.61
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273669	1	55	0.0	-69.71	415.83	6.93	-62.78
COCCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273670	0	54	-1.0	-42.09	430.76	4.31	-37.78
COCCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273670	1	54	-1.0	-42.09	430.82	4.33	-37.76
COCCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273671	0	51	-1.0	-44.58	417.66	3.66	-40.92
COCCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273671	1	51	-1.0	-44.53	417.71	3.69	-40.84
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020273672	0	59	-1.0	-39.96	426.92	9.06	-30.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020273672	1	59	-1.0	-39.98	426.97	9.08	-30.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020273673	0	56	-1.0	-42.77	408.33	8.17	-34.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020273673	1	56	-1.0	-42.77	408.38	8.20	-34.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020273674	0	56	-1.0	-39.45	440.47	9.11	-30.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020273674	1	56	-1.0	-39.49	440.53	9.13	-30.36
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020273675	0	53	-1.0	-41.23	418.40	8.51	-32.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020273675	1	53	-1.0	-41.27	418.46	8.54	-32.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020273676	0	52	-1.0	-44.93	420.35	6.90	-38.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020273676	1	52	-1.0	-44.93	420.40	6.93	-38.00
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020273677	0	54	-1.0	-50.38	421.67	5.57	-44.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020273677	1	54	-1.0	-50.39	421.72	5.58	-44.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020273678	0	51	-1.0	-52.49	398.79	4.93	-47.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020273678	1	51	-1.0	-52.47	398.85	4.95	-47.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020273679	0	52	-1.0	-41.65	408.22	5.22	-36.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020273679	1	52	-1.0	-41.66	408.28	5.23	-36.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020273680	0	49	-1.0	-42.29	394.06	4.32	-37.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020273680	1	49	-1.0	-42.25	394.11	4.35	-37.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020273681	0	48	-1.0	-42.21	406.83	5.56	-36.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020273681	1	48	-1.0	-42.30	406.89	5.58	-36.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020273682	0	57	-1.0	-39.19	422.81	7.33	-31.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020273682	1	57	-1.0	-39.20	422.87	7.34	-31.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020273683	0	54	-1.0	-41.97	387.16	5.88	-36.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020273683	1	54	-1.0	-41.96	387.22	5.91	-36.05
CCCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273684	0	56	-1.0	-43.60	450.51	4.97	-38.63
CCCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273684	1	56	-1.0	-43.64	450.56	4.99	-38.65
CCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273685	0	53	-1.0	-44.85	429.00	4.19	-40.66
CCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273685	1	53	-1.0	-44.88	429.06	4.21	-40.67
CNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273686	0	50	-1.0	-49.18	406.70	3.55	-45.63
CNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273686	1	50	-1.0	-49.23	406.76	3.56	-45.67
CNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273687	0	47	-1.0	-50.16	386.06	2.56	-47.60
CNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273687	1	47	-1.0	-50.14	386.12	2.59	-47.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020273688	0	51	-1.0	-46.51	418.18	1.99	-44.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020273688	1	51	-1.0	-46.45	418.23	2.01	-44.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020273689	0	48	-1.0	-49.59	401.13	1.11	-48.48
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020273689	1	48	-1.0	-49.61	401.18	1.13	-48.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020273690	0	51	-1.0	-46.90	402.48	2.94	-43.96
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020273690	1	51	-1.0	-46.91	402.54	2.96	-43.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020273691	0	48	-1.0	-48.63	384.71	2.28	-46.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020273691	1	48	-1.0	-48.62	384.76	2.31	-46.31
CNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273692	0	49	-1.0	-46.04	399.09	3.00	-43.04
CNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273692	1	49	-1.0	-46.03	399.15	3.01	-43.02
CNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273693	0	46	-1.0	-49.04	377.73	2.18	-46.86
CNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273693	1	46	-1.0	-49.02	377.78	2.21	-46.81
CNC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273694	0	53	-1.0	-47.38	426.14	4.08	-43.30
CNC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273694	1	53	-1.0	-47.39	426.19	4.09	-43.30
CNC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273695	0	50	-1.0	-51.26	404.63	3.29	-47.97
CNC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273695	1	50	-1.0	-51.29	404.68	3.32	-47.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020273696	0	53	-1.0	-47.53	412.54	3.75	-43.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020273696	1	53	-1.0	-47.57	412.59	3.76	-43.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020273697	0	55	-1.0	-47.93	433.04	4.22	-43.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020273697	1	55	-1.0	-47.90	433.10	4.24	-43.66
CNC(=O)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273698	0	49	-1.0	-45.09	399.82	3.11	-41.98
CNC(=O)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273698	1	49	-1.0	-45.12	399.88	3.13	-41.99
CNC(=O)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273699	0	46	-1.0	-45.48	381.55	2.28	-43.20
CNC(=O)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273699	1	46	-1.0	-45.46	381.60	2.30	-43.16
CNC(=O)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273700	0	53	-1.0	-45.64	435.48	5.01	-40.63
CNC(=O)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273700	1	53	-1.0	-45.58	435.52	5.00	-40.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020273701	0	49	-1.0	-44.70	405.14	2.16	-42.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020273701	1	49	-1.0	-44.71	405.20	2.19	-42.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020273702	0	56	-1.0	-47.16	442.79	5.05	-42.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020273702	1	56	-1.0	-47.17	442.85	5.06	-42.11
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020273703	0	53	-1.0	-48.10	433.84	4.33	-43.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020273703	1	53	-1.0	-48.09	433.89	4.35	-43.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020273704	0	53	-1.0	-43.37	431.19	3.26	-40.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020273704	1	53	-1.0	-43.40	431.24	3.27	-40.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020273705	0	50	-1.0	-46.50	405.87	2.40	-44.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020273705	1	50	-1.0	-46.54	405.92	2.43	-44.11
CNC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273706	0	50	-1.0	-48.02	399.96	3.19	-44.83
CNC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273706	1	50	-1.0	-48.11	400.02	3.20	-44.91
CNC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273707	0	47	-1.0	-48.54	378.45	2.40	-46.14
CNC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273707	1	47	-1.0	-48.53	378.51	2.43	-46.10
CNC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020273708	0	48	-1.0	-46.92	396.43	2.03	-44.89
CNC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020273708	1	48	-1.0	-46.96	396.48	2.05	-44.91
CNC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020273709	0	45	-1.0	-49.15	378.65	1.37	-47.78
CNC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020273709	1	45	-1.0	-49.13	378.71	1.39	-47.74
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273710	0	49	-1.0	-48.86	390.74	3.40	-45.46
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273710	1	49	-1.0	-48.83	390.80	3.42	-45.41
CNC(=O)C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273711	0	46	-1.0	-49.43	382.52	2.34	-47.09
CNC(=O)C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273711	1	46	-1.0	-49.44	382.59	2.37	-47.07
CNC(=O)C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273712	0	53	-1.0	-48.77	427.27	5.57	-43.20
CNC(=O)C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273712	1	53	-1.0	-48.75	427.31	5.56	-43.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020273713	0	49	-1.0	-48.05	394.92	2.61	-45.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020273713	1	49	-1.0	-48.05	394.98	2.63	-45.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020273714	0	46	-1.0	-49.80	377.20	1.74	-48.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020273714	1	46	-1.0	-49.79	377.26	1.76	-48.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020273715	0	47	-1.0	-45.89	381.89	1.97	-43.92
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020273715	1	47	-1.0	-45.92	381.94	1.99	-43.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020273716	0	44	-1.0	-46.14	364.13	1.31	-44.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020273716	1	44	-1.0	-46.11	364.19	1.34	-44.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020273717	0	49	-1.0	-51.63	396.98	1.95	-49.68
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020273717	1	49	-1.0	-51.66	397.03	1.96	-49.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020273718	0	46	-1.0	-53.91	379.55	1.52	-52.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020273718	1	46	-1.0	-53.95	379.61	1.53	-52.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020273719	0	52	-1.0	-43.53	419.37	3.84	-39.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020273719	1	52	-1.0	-43.53	419.43	3.85	-39.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020273720	0	49	-1.0	-45.37	405.14	2.95	-42.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020273720	1	49	-1.0	-45.38	405.21	2.97	-42.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020273721	0	49	-1.0	-44.98	399.64	2.49	-42.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020273721	1	49	-1.0	-44.98	399.70	2.50	-42.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020273722	0	46	-1.0	-46.14	378.13	1.70	-44.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020273722	1	46	-1.0	-46.15	378.19	1.73	-44.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020273723	0	46	-1.0	-39.59	382.84	6.22	-33.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020273723	1	46	-1.0	-39.58	382.89	6.24	-33.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020273724	0	43	-1.0	-42.21	362.50	5.48	-36.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020273724	1	43	-1.0	-42.23	362.56	5.50	-36.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020273725	0	40	-1.0	-41.83	336.84	4.74	-37.09
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020273725	1	40	-1.0	-41.84	336.89	4.75	-37.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020273726	0	37	-1.0	-43.59	309.92	4.06	-39.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020273726	1	37	-1.0	-43.63	309.98	4.09	-39.54
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020273727	0	44	-1.0	-43.12	365.32	6.73	-36.39
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020273727	1	44	-1.0	-43.03	365.35	6.71	-36.32
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020273728	0	55	0.0	-68.71	421.59	5.40	-63.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020273728	1	55	0.0	-68.72	421.65	5.41	-63.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020273729	0	52	0.0	-68.15	399.65	4.80	-63.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020273729	1	52	0.0	-68.17	399.70	4.82	-63.35
CCC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273730	0	50	-1.0	-44.83	401.81	4.73	-40.10
CCC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273730	1	50	-1.0	-44.85	401.87	4.74	-40.11
CCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273731	0	47	-1.0	-48.21	384.02	4.06	-44.15
CCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273731	1	47	-1.0	-48.17	384.07	4.08	-44.09
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020273732	0	52	-1.0	-40.75	414.33	2.38	-38.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020273732	1	52	-1.0	-40.75	414.39	2.39	-38.36
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020273733	0	49	-1.0	-42.56	392.87	1.59	-40.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020273733	1	49	-1.0	-42.58	392.92	1.62	-40.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020273734	0	48	-1.0	-45.90	389.23	5.46	-40.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020273734	1	48	-1.0	-45.90	389.29	5.48	-40.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020273735	0	48	-1.0	-45.27	404.95	6.09	-39.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020273735	1	48	-1.0	-45.28	405.01	6.12	-39.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020273736	0	49	-1.0	-39.27	384.03	6.10	-33.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020273736	1	49	-1.0	-39.24	384.09	6.11	-33.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020273737	0	46	-1.0	-41.99	362.54	5.31	-36.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020273737	1	46	-1.0	-41.97	362.60	5.34	-36.63
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020273738	0	53	-1.0	-40.76	403.08	8.18	-32.58
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020273738	1	53	-1.0	-40.74	403.12	8.16	-32.58
CCOC(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273739	0	54	-1.0	-46.35	429.16	5.55	-40.80
CCOC(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273739	1	54	-1.0	-46.37	429.21	5.56	-40.81
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020273740	0	52	-1.0	-40.13	416.19	8.22	-31.91
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020273740	1	52	-1.0	-40.16	416.24	8.24	-31.92
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020273741	0	49	-1.0	-41.88	401.09	7.78	-34.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020273741	1	49	-1.0	-41.94	401.15	7.80	-34.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020273742	0	55	-1.0	-42.60	437.81	7.08	-35.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020273742	1	55	-1.0	-42.66	437.86	7.10	-35.56
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020273743	0	43	-1.0	-47.09	363.96	1.46	-45.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020273743	1	43	-1.0	-47.07	364.02	1.48	-45.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020273744	0	40	-1.0	-47.89	347.19	0.45	-47.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020273744	1	40	-1.0	-47.93	347.25	0.48	-47.45
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020273745	0	46	-1.0	-39.11	393.97	6.67	-32.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020273745	1	46	-1.0	-39.09	394.03	6.69	-32.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020273746	0	43	-1.0	-42.12	376.10	6.04	-36.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020273746	1	43	-1.0	-42.10	376.03	6.01	-36.09
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020273747	0	45	-1.0	-39.97	372.81	4.35	-35.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020273747	1	45	-1.0	-39.94	372.88	4.37	-35.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020273748	0	42	-1.0	-42.91	356.26	3.72	-39.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020273748	1	42	-1.0	-42.96	356.32	3.75	-39.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020273749	0	44	-1.0	-39.20	351.03	4.97	-34.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020273749	1	44	-1.0	-39.18	351.09	4.98	-34.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020273750	0	41	-1.0	-41.37	334.40	4.33	-37.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020273750	1	41	-1.0	-41.31	334.46	4.35	-36.96
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)C1	REAL300020273751	0	48	-1.0	-39.94	398.85	7.58	-32.36
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)C1	REAL300020273751	1	48	-1.0	-39.91	398.90	7.57	-32.34
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020273752	0	46	-1.0	-41.76	394.69	7.47	-34.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020273752	1	46	-1.0	-41.77	394.75	7.48	-34.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020273753	0	43	-1.0	-46.05	372.96	6.68	-39.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020273753	1	43	-1.0	-46.04	373.02	6.71	-39.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020273754	0	51	-1.0	-44.47	422.16	5.28	-39.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020273754	1	51	-1.0	-44.50	422.22	5.31	-39.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020273755	0	51	-1.0	-44.28	421.99	4.78	-39.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020273755	1	51	-1.0	-44.28	422.05	4.80	-39.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020273756	0	46	-1.0	-40.12	389.38	5.92	-34.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020273756	1	46	-1.0	-40.11	389.44	5.94	-34.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020273757	0	43	-1.0	-41.99	368.04	5.13	-36.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020273757	1	43	-1.0	-42.03	368.00	5.10	-36.93
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020273758	0	50	-1.0	-41.04	417.64	7.93	-33.11
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020273758	1	50	-1.0	-40.96	417.69	7.91	-33.05
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020273759	0	46	-1.0	-41.43	399.32	7.08	-34.35
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020273759	1	46	-1.0	-41.42	399.38	7.09	-34.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020273760	0	43	-1.0	-45.85	374.90	6.57	-39.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020273760	1	43	-1.0	-45.83	374.95	6.59	-39.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020273761	0	46	-1.0	-40.93	402.14	7.09	-33.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020273761	1	46	-1.0	-40.94	402.20	7.11	-33.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020273762	0	52	-1.0	-51.33	416.46	4.40	-46.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020273762	1	52	-1.0	-51.34	416.52	4.42	-46.92
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020273763	0	51	-1.0	-49.17	416.80	5.95	-43.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020273763	1	51	-1.0	-49.21	416.85	5.98	-43.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020273764	0	46	-1.0	-39.41	395.37	7.49	-31.92
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020273764	1	46	-1.0	-39.38	395.43	7.50	-31.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020273765	0	43	-1.0	-40.71	380.14	6.59	-34.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020273765	1	43	-1.0	-40.75	380.20	6.62	-34.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020273766	0	43	-1.0	-41.44	395.33	7.05	-34.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020273766	1	43	-1.0	-41.43	395.39	7.08	-34.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020273767	0	47	-1.0	-41.36	407.95	6.55	-34.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020273767	1	47	-1.0	-41.40	408.00	6.57	-34.83
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020273768	0	47	-1.0	-48.70	381.86	1.72	-46.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020273768	1	47	-1.0	-48.68	381.92	1.74	-46.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020273769	0	44	-1.0	-50.02	364.07	1.05	-48.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020273769	1	44	-1.0	-50.06	364.13	1.08	-48.98
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020273770	0	51	-1.0	-50.73	402.92	3.88	-46.85
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020273770	1	51	-1.0	-50.73	402.96	3.88	-46.85
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020273771	0	43	-1.0	-39.96	367.46	5.10	-34.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020273771	1	43	-1.0	-39.96	367.52	5.11	-34.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020273772	0	40	-1.0	-40.49	332.38	4.58	-35.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020273772	1	40	-1.0	-40.52	332.31	4.57	-35.95
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CO1	REAL300020273773	0	47	-1.0	-41.02	395.72	7.11	-33.91
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CO1	REAL300020273773	1	47	-1.0	-41.04	395.77	7.09	-33.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020273774	0	49	-1.0	-43.70	407.91	5.24	-38.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020273774	1	49	-1.0	-43.72	407.97	5.27	-38.45
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020273775	0	55	0.0	-64.99	425.42	7.13	-57.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020273775	1	55	0.0	-65.01	425.48	7.15	-57.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020273776	0	52	0.0	-62.27	399.32	6.46	-55.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020273776	1	52	0.0	-62.24	399.38	6.47	-55.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020273777	0	53	-1.0	-39.03	402.72	7.44	-31.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020273777	1	53	-1.0	-39.01	402.77	7.46	-31.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020273778	0	50	-1.0	-42.68	375.44	6.29	-36.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020273778	1	50	-1.0	-42.69	375.50	6.32	-36.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020273779	0	56	-1.0	-40.49	435.29	3.99	-36.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020273779	1	56	-1.0	-40.56	435.35	4.00	-36.56
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020273779	1	57	0.0	-65.77	436.35	6.14	-59.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020273780	0	53	-1.0	-42.75	417.52	3.33	-39.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020273780	1	53	-1.0	-42.74	417.57	3.35	-39.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020273780	1	54	0.0	-64.30	414.51	5.54	-58.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020273781	0	55	-1.0	-42.88	442.94	6.25	-36.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020273781	1	56	0.0	-66.82	441.19	8.59	-58.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020273781	1	55	-1.0	-42.91	442.99	6.28	-36.63
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020273782	0	50	-1.0	-44.75	413.17	3.75	-41.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020273782	1	50	-1.0	-44.77	413.23	3.76	-41.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020273783	0	47	-1.0	-45.68	397.93	2.87	-42.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020273783	1	47	-1.0	-45.71	397.99	2.89	-42.82
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273784	0	58	0.0	-64.89	434.42	7.29	-57.60
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273784	1	58	0.0	-64.93	434.48	7.31	-57.62
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273785	0	55	0.0	-64.45	412.92	6.52	-57.93
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273785	1	55	0.0	-64.45	412.98	6.53	-57.92
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020273786	0	54	-1.0	-41.65	431.81	7.59	-34.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020273786	1	54	-1.0	-41.65	431.87	7.61	-34.04
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273787	0	49	-1.0	-39.33	384.63	6.56	-32.77
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273787	1	49	-1.0	-39.30	384.68	6.58	-32.72
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273788	0	46	-1.0	-42.48	364.28	5.81	-36.67
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273788	1	46	-1.0	-42.51	364.33	5.84	-36.67
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CC1	REAL300020273789	0	53	-1.0	-40.81	405.18	8.55	-32.26
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1	REAL300020273789	1	53	-1.0	-40.75	405.21	8.55	-32.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020273790	0	46	-1.0	-45.07	388.52	4.92	-40.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020273790	1	46	-1.0	-45.08	388.46	4.90	-40.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020273791	0	43	-1.0	-47.52	362.88	4.18	-43.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020273791	1	43	-1.0	-47.53	362.83	4.18	-43.35
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1C=CC=N1	REAL300020273792	0	50	-1.0	-48.47	406.47	6.95	-41.52
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1C=CC=N1	REAL300020273792	1	50	-1.0	-48.50	406.45	6.96	-41.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020273793	0	57	0.0	-67.65	432.28	5.94	-61.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020273793	1	57	0.0	-67.66	432.34	5.95	-61.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020273794	0	50	-1.0	-39.37	399.86	4.79	-34.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020273794	1	50	-1.0	-39.36	399.92	4.80	-34.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020273795	0	47	-1.0	-41.80	382.07	4.12	-37.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020273795	1	47	-1.0	-41.84	382.13	4.14	-37.70
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020273796	0	54	-1.0	-40.40	431.88	6.89	-33.51
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020273796	1	54	-1.0	-40.35	431.92	6.88	-33.47
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020273797	0	56	-1.0	-39.56	416.50	8.27	-31.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020273797	1	56	-1.0	-39.54	416.55	8.28	-31.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020273798	0	53	-1.0	-41.49	399.35	7.40	-34.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020273798	1	53	-1.0	-41.54	399.40	7.43	-34.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020273799	0	53	0.0	-63.54	406.21	6.99	-56.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020273799	1	52	-1.0	-39.00	408.77	4.71	-34.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020273799	1	52	-1.0	-38.99	408.83	4.72	-34.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020273800	0	50	0.0	-61.07	389.23	6.30	-54.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020273800	1	50	0.0	-61.08	389.29	6.31	-54.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020273800	1	49	-1.0	-41.69	390.99	4.05	-37.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020273800	1	49	-1.0	-41.70	391.05	4.07	-37.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020273801	0	52	-1.0	-43.26	415.61	3.86	-39.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020273801	1	52	-1.0	-43.24	415.55	3.85	-39.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020273802	0	49	-1.0	-46.52	399.17	3.25	-43.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020273802	1	49	-1.0	-46.51	399.11	3.23	-43.28
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020273803	0	59	0.0	-62.95	440.22	7.64	-55.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020273803	1	59	0.0	-62.96	440.28	7.66	-55.30
CCOCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273804	0	53	-1.0	-39.24	421.70	5.75	-33.49
CCOCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273804	1	53	-1.0	-39.25	421.76	5.77	-33.48
CCOCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273805	0	50	-1.0	-41.71	403.93	5.09	-36.62
CCOCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273805	1	50	-1.0	-41.71	403.99	5.11	-36.60
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020273806	0	47	-1.0	-48.52	397.27	0.16	-48.36
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020273806	1	47	-1.0	-48.52	397.32	0.17	-48.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020273807	0	44	-1.0	-50.73	383.04	-0.72	-51.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020273807	1	44	-1.0	-50.71	383.10	-0.70	-51.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020273808	0	56	-1.0	-40.89	438.00	9.41	-31.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020273808	1	56	-1.0	-40.90	438.05	9.42	-31.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020273809	0	53	-1.0	-42.39	412.42	8.69	-33.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020273809	1	53	-1.0	-42.41	412.48	8.70	-33.71
CCN1C=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C=N1	REAL300020273810	0	49	-1.0	-42.12	403.68	5.60	-36.52
CCN1C=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C=N1	REAL300020273810	1	49	-1.0	-42.09	403.63	5.58	-36.51
CCN1C=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C=N1	REAL300020273811	0	46	-1.0	-44.16	381.95	4.81	-39.35
CCN1C=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C=N1	REAL300020273811	1	46	-1.0	-44.18	381.89	4.79	-39.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020273812	0	49	-1.0	-39.59	381.91	6.67	-32.92
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020273812	1	49	-1.0	-39.58	381.96	6.69	-32.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020273813	0	46	-1.0	-42.38	360.12	6.07	-36.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020273813	1	46	-1.0	-42.37	360.17	6.09	-36.28
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020273814	0	53	-1.0	-41.32	398.77	8.06	-33.26
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020273814	1	53	-1.0	-41.27	398.80	8.05	-33.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020273815	0	50	-1.0	-43.48	408.92	8.13	-35.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020273815	1	50	-1.0	-43.50	408.98	8.16	-35.34
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020273816	0	48	-1.0	-46.90	387.00	4.68	-42.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020273816	1	48	-1.0	-46.87	387.06	4.70	-42.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020273817	0	45	-1.0	-50.52	365.51	3.90	-46.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020273817	1	45	-1.0	-50.54	365.58	3.92	-46.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020273818	0	50	-1.0	-45.18	421.98	4.93	-40.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020273818	1	50	-1.0	-45.23	421.92	4.92	-40.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020273819	0	47	-1.0	-45.13	399.22	4.12	-41.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020273819	1	47	-1.0	-45.11	399.16	4.09	-41.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020273820	0	49	-1.0	-44.74	404.37	5.80	-38.94
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020273820	1	49	-1.0	-44.75	404.43	5.81	-38.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020273821	0	46	-1.0	-49.08	368.20	4.57	-44.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020273821	1	46	-1.0	-49.02	368.26	4.60	-44.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020273822	0	54	-1.0	-40.60	438.09	7.46	-33.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020273822	1	54	-1.0	-40.64	438.14	7.47	-33.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020273823	0	51	-1.0	-42.88	420.97	6.57	-36.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020273823	1	51	-1.0	-42.89	421.02	6.61	-36.28
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020273824	0	54	-1.0	-43.54	442.56	7.37	-36.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020273824	1	54	-1.0	-43.52	442.62	7.40	-36.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020273825	0	50	-1.0	-41.96	395.71	4.85	-37.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020273825	1	50	-1.0	-42.00	395.76	4.87	-37.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020273826	0	47	-1.0	-43.21	374.21	4.07	-39.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020273826	1	47	-1.0	-43.21	374.27	4.09	-39.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020273827	0	53	-1.0	-38.83	415.03	5.43	-33.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020273827	1	53	-1.0	-38.81	415.09	5.44	-33.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020273828	0	50	-1.0	-41.07	392.95	4.93	-36.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020273828	1	50	-1.0	-41.11	393.00	4.96	-36.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020273829	0	54	-1.0	-40.30	422.17	6.09	-34.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020273829	1	54	-1.0	-40.28	422.23	6.10	-34.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020273830	0	51	-1.0	-42.58	401.42	5.42	-37.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020273830	1	51	-1.0	-42.60	401.47	5.44	-37.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020273831	0	50	-1.0	-43.50	411.79	4.95	-38.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020273831	1	50	-1.0	-43.48	411.85	4.96	-38.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020273832	0	47	-1.0	-44.31	394.72	4.06	-40.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020273832	1	47	-1.0	-44.31	394.78	4.09	-40.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020273833	0	53	-1.0	-39.42	430.13	8.55	-30.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020273833	1	53	-1.0	-39.44	430.18	8.56	-30.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020273834	0	50	-1.0	-42.00	412.31	7.90	-34.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020273834	1	50	-1.0	-42.03	412.37	7.92	-34.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020273835	0	47	-1.0	-46.75	389.92	6.20	-40.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020273835	1	47	-1.0	-46.75	389.98	6.22	-40.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020273836	0	44	-1.0	-49.89	368.43	5.42	-44.47
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020273836	1	44	-1.0	-49.95	368.52	5.43	-44.52
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020273837	0	51	-1.0	-47.45	416.85	8.17	-39.28
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020273837	1	51	-1.0	-47.50	416.93	8.16	-39.34
CCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273838	0	52	-1.0	-39.33	400.61	7.07	-32.26
CCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273838	1	52	-1.0	-39.34	400.66	7.08	-32.26
CCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273839	0	49	-1.0	-41.95	374.31	6.47	-35.48
CCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273839	1	49	-1.0	-42.03	374.37	6.49	-35.54
CCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020273840	0	56	-1.0	-40.69	424.13	9.22	-31.47
CCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020273840	1	56	-1.0	-40.60	424.16	9.21	-31.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020273841	0	52	-1.0	-40.18	425.22	8.38	-31.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020273841	1	52	-1.0	-40.22	425.28	8.40	-31.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020273842	0	49	-1.0	-42.50	407.19	7.72	-34.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020273842	1	49	-1.0	-42.50	407.25	7.74	-34.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020273843	0	49	-1.0	-41.52	404.40	5.84	-35.68
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020273843	1	49	-1.0	-41.55	404.46	5.86	-35.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020273844	0	46	-1.0	-43.17	382.90	5.06	-38.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020273844	1	46	-1.0	-43.08	382.95	5.08	-38.00
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020273845	0	53	-1.0	-39.31	409.98	8.04	-31.27
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020273845	1	53	-1.0	-39.32	410.04	8.06	-31.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020273846	0	50	-1.0	-43.74	382.83	7.17	-36.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020273846	1	50	-1.0	-43.73	382.89	7.20	-36.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020273847	0	44	-1.0	-42.44	360.00	3.31	-39.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020273847	1	44	-1.0	-42.42	360.06	3.32	-39.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020273848	0	41	-1.0	-43.11	340.39	2.65	-40.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020273848	1	41	-1.0	-43.08	340.34	2.63	-40.45
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020273849	0	48	-1.0	-43.96	383.60	5.23	-38.73
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020273849	1	48	-1.0	-43.96	383.63	5.22	-38.74
CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273850	0	50	-1.0	-40.67	400.42	5.05	-35.62
CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273850	1	50	-1.0	-40.67	400.48	5.06	-35.61
CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273851	0	47	-1.0	-44.13	382.71	4.37	-39.76
CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273851	1	47	-1.0	-44.14	382.76	4.40	-39.74
CCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020273852	0	54	-1.0	-42.61	421.52	7.22	-35.39
CCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020273852	1	54	-1.0	-42.63	421.55	7.21	-35.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020273853	0	47	-1.0	-43.08	403.55	6.11	-36.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020273853	1	47	-1.0	-43.03	403.60	6.14	-36.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020273854	0	53	0.0	-65.84	417.99	7.24	-58.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020273854	1	53	0.0	-65.83	418.05	7.26	-58.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020273855	0	50	0.0	-64.23	396.47	6.46	-57.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020273855	1	50	0.0	-64.23	396.53	6.48	-57.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020273856	0	47	-1.0	-46.36	402.27	4.84	-41.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020273856	1	47	-1.0	-46.37	402.33	4.86	-41.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020273857	0	57	-1.0	-41.58	409.82	7.59	-33.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020273857	1	57	-1.0	-41.56	409.87	7.60	-33.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020273858	0	48	-1.0	-40.44	391.74	5.54	-34.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020273858	1	48	-1.0	-40.43	391.79	5.56	-34.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020273859	0	45	-1.0	-40.98	374.90	4.60	-36.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020273859	1	45	-1.0	-41.02	374.96	4.63	-36.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020273860	0	48	-1.0	-47.86	405.83	7.72	-40.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020273860	1	48	-1.0	-47.91	405.88	7.74	-40.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020273861	0	45	-1.0	-57.37	379.45	7.00	-50.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020273861	1	45	-1.0	-57.36	379.51	7.03	-50.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020273862	0	49	-1.0	-43.17	418.20	6.75	-36.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020273862	1	49	-1.0	-43.19	418.26	6.78	-36.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020273863	0	54	-1.0	-41.60	431.48	7.62	-33.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020273863	1	54	-1.0	-41.63	431.54	7.63	-34.00
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020273864	0	51	-1.0	-42.44	404.45	6.92	-35.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020273864	1	51	-1.0	-42.44	404.50	6.95	-35.49
CCS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273865	0	52	-1.0	-48.36	426.23	3.49	-44.87
CCS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273865	1	52	-1.0	-48.36	426.29	3.50	-44.86
CCS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273866	0	49	-1.0	-49.28	409.02	2.62	-46.66
CCS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273866	1	49	-1.0	-49.30	409.08	2.64	-46.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020273867	0	45	-1.0	-42.26	392.19	4.81	-37.45
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020273867	1	45	-1.0	-42.25	392.25	4.83	-37.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020273868	0	42	-1.0	-44.23	370.70	4.03	-40.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020273868	1	42	-1.0	-44.24	370.75	4.05	-40.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020273869	0	49	-1.0	-41.31	411.60	8.15	-33.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020273869	1	49	-1.0	-41.32	411.66	8.17	-33.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020273870	0	46	-1.0	-42.70	402.65	7.44	-35.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020273870	1	46	-1.0	-42.72	402.70	7.46	-35.26
CCOC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273871	0	55	-1.0	-41.36	436.06	7.15	-34.21
CCOC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273871	1	55	-1.0	-41.35	436.12	7.16	-34.19
CCOC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273872	0	52	-1.0	-42.09	417.51	6.46	-35.63
CCOC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273872	1	52	-1.0	-42.07	417.58	6.48	-35.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020273873	0	53	-1.0	-42.76	433.14	6.93	-35.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020273873	1	53	-1.0	-42.77	433.20	6.95	-35.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020273874	0	47	-1.0	-40.93	394.83	7.36	-33.57
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020273874	1	47	-1.0	-40.97	394.89	7.38	-33.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020273875	0	44	-1.0	-44.25	369.11	6.83	-37.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020273875	1	44	-1.0	-44.22	369.05	6.80	-37.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020273876	0	51	-1.0	-39.97	395.09	4.87	-35.10
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020273876	1	51	-1.0	-39.95	395.14	4.88	-35.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020273877	0	48	-1.0	-42.67	376.76	4.19	-38.48
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020273877	1	48	-1.0	-42.70	376.82	4.21	-38.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020273878	0	58	-1.0	-40.12	450.31	3.90	-36.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020273878	1	58	-1.0	-40.14	450.37	3.91	-36.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020273878	1	59	0.0	-65.93	448.18	5.88	-60.05
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020273878	1	59	0.0	-64.87	444.63	6.13	-58.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020273879	0	55	-1.0	-41.94	428.80	3.10	-38.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020273879	1	55	-1.0	-41.95	428.87	3.12	-38.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020273879	1	56	0.0	-65.82	430.49	5.24	-60.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020273879	1	56	0.0	-62.55	423.10	5.35	-57.20
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020273880	0	56	-1.0	-41.39	423.77	3.16	-38.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020273880	1	56	-1.0	-41.37	423.83	3.18	-38.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020273880	1	57	0.0	-64.14	433.77	5.57	-58.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020273881	0	53	-1.0	-44.08	398.24	3.24	-40.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020273881	1	53	-1.0	-44.07	398.29	3.26	-40.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020273881	1	54	0.0	-65.59	407.15	4.81	-60.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(C)C)C1	REAL300020273882	0	50	-1.0	-38.42	403.92	6.90	-31.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020273882	1	50	-1.0	-38.46	403.98	6.91	-31.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(C)C)C1	REAL300020273883	0	47	-1.0	-40.34	382.92	5.91	-34.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020273883	1	47	-1.0	-40.33	382.98	5.94	-34.39
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020273884	0	53	-1.0	-45.92	427.95	6.73	-39.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020273884	1	53	-1.0	-45.93	427.90	6.71	-39.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020273885	0	50	-1.0	-48.65	406.46	5.95	-42.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020273885	1	50	-1.0	-48.66	406.40	5.93	-42.73
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCC1C1=CC=CC=C1	REAL300020273886	0	56	-1.0	-43.07	427.56	9.27	-33.80
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCC1C1=CC=CC=C1	REAL300020273886	1	56	-1.0	-43.06	427.61	9.29	-33.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020273887	0	48	-1.0	-43.08	394.33	3.83	-39.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020273887	1	48	-1.0	-43.07	394.39	3.84	-39.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020273888	0	51	-1.0	-47.50	420.93	2.38	-45.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020273888	1	51	-1.0	-47.51	420.98	2.39	-45.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020273889	0	48	-1.0	-49.34	399.42	1.59	-47.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020273889	1	48	-1.0	-49.32	399.48	1.62	-47.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020273890	0	46	-1.0	-43.89	380.86	5.02	-38.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020273890	1	46	-1.0	-43.88	380.92	5.04	-38.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020273891	0	43	-1.0	-43.57	354.04	4.35	-39.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020273891	1	43	-1.0	-43.55	354.08	4.36	-39.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020273892	0	54	-1.0	-39.36	408.57	6.36	-33.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020273892	1	54	-1.0	-39.34	408.63	6.38	-32.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020273893	0	51	-1.0	-42.37	392.22	5.73	-36.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020273893	1	51	-1.0	-42.41	392.28	5.76	-36.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020273894	0	51	-1.0	-43.68	420.29	8.49	-35.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020273894	1	51	-1.0	-43.66	420.35	8.51	-35.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020273895	0	44	-1.0	-39.89	353.01	3.45	-36.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020273895	1	44	-1.0	-39.92	353.07	3.46	-36.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020273896	0	41	-1.0	-42.56	336.85	2.87	-39.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020273896	1	41	-1.0	-42.59	336.90	2.89	-39.70
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020273897	0	48	-1.0	-41.30	388.04	5.72	-35.58
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020273897	1	48	-1.0	-41.25	388.05	5.71	-35.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020273898	0	54	-1.0	-44.97	431.09	5.11	-39.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020273898	1	54	-1.0	-45.01	431.15	5.14	-39.87
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020273899	0	45	-1.0	-40.52	385.90	4.90	-35.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020273899	1	45	-1.0	-40.50	385.96	4.91	-35.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020273900	0	42	-1.0	-41.83	370.63	4.03	-37.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020273900	1	42	-1.0	-41.83	370.69	4.06	-37.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020273901	0	43	-1.0	-39.96	351.47	5.58	-34.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020273901	1	43	-1.0	-39.95	351.52	5.59	-34.36
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020273902	0	47	-1.0	-40.91	381.07	7.61	-33.30
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020273902	1	47	-1.0	-40.96	381.09	7.60	-33.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020273903	0	53	-1.0	-41.25	437.99	7.22	-34.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020273903	1	53	-1.0	-41.23	438.05	7.23	-34.00
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020273904	0	50	-1.0	-43.67	415.52	6.45	-37.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020273904	1	50	-1.0	-43.69	415.58	6.47	-37.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020273905	0	46	-1.0	-42.83	385.94	7.03	-35.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020273905	1	46	-1.0	-42.87	386.00	7.04	-35.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020273906	0	43	-1.0	-47.43	364.27	6.26	-41.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020273906	1	43	-1.0	-47.42	364.21	6.24	-41.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020273907	0	53	-1.0	-43.61	436.70	7.02	-36.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020273907	1	53	-1.0	-43.64	436.76	7.04	-36.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020273908	0	53	-1.0	-43.18	435.96	7.26	-35.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020273908	1	53	-1.0	-43.18	436.01	7.28	-35.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020273909	0	61	0.0	-67.47	453.81	8.25	-59.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020273909	1	61	0.0	-66.26	455.87	8.23	-58.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020273909	1	61	0.0	-67.48	453.87	8.26	-59.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020273909	1	61	0.0	-66.29	455.92	8.24	-58.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020273910	0	58	0.0	-65.61	433.80	7.65	-57.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020273910	1	58	0.0	-68.00	433.56	7.83	-60.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020273910	1	58	0.0	-65.55	433.85	7.68	-57.87
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020273910	1	58	0.0	-68.03	433.62	7.85	-60.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(C)C	REAL300020273911	0	48	-1.0	-40.01	379.27	6.07	-33.94
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(C)C	REAL300020273911	1	48	-1.0	-39.99	379.33	6.08	-33.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(C)C	REAL300020273912	0	45	-1.0	-41.41	365.06	5.18	-36.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(C)C	REAL300020273912	1	45	-1.0	-41.37	365.13	5.20	-36.17
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(C)C	REAL300020273913	0	52	-1.0	-40.16	414.93	7.96	-32.20
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(C)C	REAL300020273913	1	52	-1.0	-40.16	414.98	7.95	-32.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020273914	0	46	-1.0	-43.36	377.71	5.19	-38.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020273914	1	46	-1.0	-43.38	377.77	5.20	-38.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020273915	0	43	-1.0	-43.75	356.21	4.40	-39.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020273915	1	43	-1.0	-43.79	356.27	4.43	-39.36
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020273916	0	50	-1.0	-44.59	406.20	7.17	-37.42
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020273916	1	50	-1.0	-44.51	406.22	7.16	-37.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020273917	0	48	-1.0	-43.20	394.04	3.79	-39.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020273917	1	48	-1.0	-43.24	394.10	3.81	-39.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020273918	0	45	-1.0	-45.69	376.26	3.11	-42.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020273918	1	45	-1.0	-45.64	376.32	3.14	-42.50
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020273919	0	48	-1.0	-39.42	371.43	6.13	-33.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020273919	1	48	-1.0	-39.41	371.49	6.15	-33.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020273920	0	45	-1.0	-41.41	358.70	5.40	-36.01
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020273920	1	45	-1.0	-41.43	358.76	5.42	-36.01
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020273921	0	52	-1.0	-41.56	402.94	7.24	-34.32
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020273921	1	52	-1.0	-41.56	402.98	7.23	-34.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020273922	0	61	0.0	-66.59	459.52	7.99	-58.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020273922	1	61	0.0	-66.57	459.58	8.00	-58.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020273923	0	58	0.0	-64.40	437.33	7.41	-56.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020273923	1	58	0.0	-64.45	437.39	7.43	-57.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020273924	0	53	-1.0	-43.46	428.66	6.42	-37.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020273924	1	53	-1.0	-43.47	428.72	6.43	-37.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020273925	0	50	-1.0	-46.38	407.15	5.64	-40.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020273925	1	50	-1.0	-46.39	407.20	5.67	-40.72
COCCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273926	0	54	-1.0	-42.95	436.97	4.63	-38.32
COCCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273926	1	54	-1.0	-42.97	437.03	4.64	-38.33
COCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273927	0	51	-1.0	-45.98	412.57	3.76	-42.22
COCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273927	1	51	-1.0	-46.00	412.62	3.78	-42.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020273928	0	43	-1.0	-39.96	351.47	5.58	-34.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020273928	1	43	-1.0	-39.95	351.52	5.59	-34.36
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020273929	0	47	-1.0	-40.91	381.07	7.61	-33.30
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020273929	1	47	-1.0	-40.96	381.09	7.60	-33.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020273930	0	56	-1.0	-40.71	434.91	8.68	-32.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020273930	1	56	-1.0	-40.72	434.97	8.69	-32.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020273931	0	53	-1.0	-43.06	405.43	7.86	-35.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020273931	1	53	-1.0	-43.06	405.49	7.88	-35.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020273932	0	45	-1.0	-42.78	385.40	5.55	-37.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020273932	1	45	-1.0	-42.78	385.46	5.57	-37.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020273933	0	57	0.0	-63.62	426.68	7.56	-56.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020273933	1	57	0.0	-63.12	425.97	7.71	-55.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020273933	1	57	0.0	-63.61	426.74	7.59	-56.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020273933	1	57	0.0	-63.10	426.03	7.74	-55.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020273934	0	46	-1.0	-39.35	379.18	6.24	-33.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020273934	1	46	-1.0	-39.37	379.23	6.25	-33.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020273935	0	43	-1.0	-41.40	357.74	5.44	-35.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020273935	1	43	-1.0	-41.38	357.80	5.46	-35.92
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020273936	0	50	-1.0	-40.29	407.31	8.23	-32.06
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020273936	1	50	-1.0	-40.25	407.37	8.23	-32.02
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020273937	0	54	-1.0	-43.17	431.79	4.61	-38.56
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020273937	1	54	-1.0	-43.17	431.85	4.62	-38.55
CCOCCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020273938	0	51	-1.0	-47.00	410.32	3.83	-43.17
CCOCCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020273938	1	51	-1.0	-47.02	410.38	3.85	-43.17
COCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020273939	0	46	-1.0	-40.54	373.88	3.85	-36.69
COCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020273939	1	46	-1.0	-40.53	373.94	3.87	-36.66
COCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020273940	0	43	-1.0	-42.00	359.67	2.96	-39.04
COCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020273940	1	43	-1.0	-41.99	359.73	2.99	-39.00
COCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273941	0	50	-1.0	-40.89	409.54	5.75	-35.14
COCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273941	1	50	-1.0	-40.82	409.58	5.74	-35.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020273942	0	53	-1.0	-46.65	418.81	5.46	-41.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020273942	1	53	-1.0	-46.67	418.87	5.47	-41.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020273943	0	50	-1.0	-48.84	396.88	4.65	-44.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020273943	1	50	-1.0	-48.82	396.94	4.68	-44.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020273944	0	47	-1.0	-38.50	391.36	6.29	-32.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020273944	1	47	-1.0	-38.53	391.42	6.30	-32.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020273945	0	44	-1.0	-40.41	369.87	5.50	-34.91
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020273945	1	44	-1.0	-40.39	369.93	5.53	-34.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020273946	0	44	-1.0	-42.86	369.01	3.21	-39.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020273946	1	44	-1.0	-42.85	369.07	3.23	-39.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020273947	0	41	-1.0	-43.54	353.98	2.70	-40.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020273947	1	41	-1.0	-43.49	353.92	2.68	-40.81
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020273948	0	48	-1.0	-44.55	391.92	5.13	-39.42
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020273948	1	48	-1.0	-44.51	391.96	5.12	-39.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020273949	0	53	0.0	-63.61	405.62	6.82	-56.79
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020273949	1	53	0.0	-62.83	405.61	6.81	-56.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020273949	1	53	0.0	-63.61	405.68	6.83	-56.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020273949	1	53	0.0	-62.83	405.67	6.82	-56.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020273949	1	52	-1.0	-39.76	401.31	4.55	-35.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020273950	0	50	0.0	-62.29	367.39	5.62	-56.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020273950	1	50	0.0	-60.39	388.41	5.93	-54.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020273950	1	50	0.0	-62.32	367.44	5.64	-56.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020273950	1	50	0.0	-60.40	388.46	5.96	-54.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020273950	1	49	-1.0	-40.62	364.63	3.39	-37.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2CCCCC2C1	REAL300020273950	1	49	-1.0	-40.58	364.68	3.40	-37.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020273951	0	50	-1.0	-42.95	422.30	6.57	-36.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020273951	1	50	-1.0	-42.96	422.35	6.60	-36.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020273952	0	59	-1.0	-39.10	461.16	7.40	-31.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020273952	1	59	-1.0	-39.11	461.22	7.41	-31.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020273953	0	56	-1.0	-41.15	443.25	6.50	-34.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020273953	1	56	-1.0	-41.14	443.31	6.52	-34.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020273954	0	46	-1.0	-41.07	402.14	7.08	-33.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020273954	1	46	-1.0	-41.02	402.20	7.10	-33.92
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C	REAL300020273955	0	45	-1.0	-39.67	354.69	5.51	-34.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C	REAL300020273955	1	45	-1.0	-39.65	354.75	5.53	-34.12
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C	REAL300020273956	0	49	-1.0	-40.22	395.63	7.58	-32.64
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C	REAL300020273956	1	49	-1.0	-40.17	395.67	7.57	-32.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020273957	0	54	-1.0	-43.94	433.96	7.34	-36.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020273957	1	54	-1.0	-43.92	434.01	7.37	-36.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020273958	0	49	-1.0	-43.38	400.35	7.06	-36.32
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020273958	1	49	-1.0	-43.35	400.29	7.05	-36.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020273959	0	46	-1.0	-44.02	378.39	6.46	-37.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020273959	1	46	-1.0	-43.99	378.34	6.44	-37.55
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273960	0	46	-1.0	-40.37	375.86	6.68	-33.69
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273960	1	46	-1.0	-40.36	375.91	6.67	-33.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020273961	0	52	-1.0	-45.66	428.19	9.06	-36.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020273961	1	52	-1.0	-45.63	428.25	9.08	-36.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020273962	0	49	-1.0	-39.15	387.08	6.49	-32.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020273962	1	49	-1.0	-39.15	387.14	6.50	-32.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020273963	0	46	-1.0	-42.37	369.62	5.83	-36.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020273963	1	46	-1.0	-42.34	369.68	5.86	-36.48
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCC1	REAL300020273964	0	53	-1.0	-41.05	412.36	8.72	-32.33
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCC1	REAL300020273964	1	53	-1.0	-41.02	412.40	8.70	-32.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020273965	0	53	-1.0	-47.33	416.67	4.70	-42.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020273965	1	53	-1.0	-47.34	416.73	4.72	-42.62
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273966	0	47	-1.0	-40.68	386.15	3.72	-36.96
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273966	1	47	-1.0	-40.62	386.21	3.73	-36.89
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020273967	0	44	-1.0	-42.87	368.55	3.03	-39.84
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020273967	1	44	-1.0	-42.88	368.61	3.05	-39.83
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CC1	REAL300020273968	0	51	-1.0	-41.71	418.39	5.83	-35.88
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1	REAL300020273968	1	51	-1.0	-41.76	418.43	5.82	-35.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020273969	0	49	-1.0	-45.98	411.70	5.25	-40.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020273969	1	49	-1.0	-45.98	411.65	5.22	-40.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020273970	0	46	-1.0	-39.46	385.90	6.95	-32.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020273970	1	46	-1.0	-39.48	385.95	6.96	-32.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020273971	0	43	-1.0	-41.24	364.81	6.13	-35.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020273971	1	43	-1.0	-41.31	364.87	6.16	-35.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020273972	0	46	-1.0	-49.78	388.49	8.10	-41.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020273972	1	46	-1.0	-49.78	388.54	8.12	-41.66
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020273973	0	47	-1.0	-39.81	378.89	4.24	-35.57
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020273973	1	47	-1.0	-39.80	378.94	4.26	-35.54
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020273974	0	44	-1.0	-41.97	361.12	3.58	-38.39
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020273974	1	44	-1.0	-41.97	361.18	3.61	-38.36
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CCO1	REAL300020273975	0	51	-1.0	-41.05	394.95	5.84	-35.21
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CCO1	REAL300020273975	1	51	-1.0	-41.01	394.98	5.84	-35.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020273976	0	51	-1.0	-41.25	416.98	6.49	-34.76
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020273976	1	51	-1.0	-41.32	417.03	6.51	-34.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020273977	0	48	-1.0	-43.58	398.33	6.06	-37.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020273977	1	48	-1.0	-43.59	398.39	6.09	-37.50
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020273978	0	52	-1.0	-39.03	408.75	7.47	-31.56
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020273978	1	52	-1.0	-39.05	408.81	7.49	-31.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020273979	0	49	-1.0	-42.08	387.40	6.68	-35.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020273979	1	49	-1.0	-42.15	387.46	6.71	-35.44
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCCC1	REAL300020273980	0	56	-1.0	-40.88	430.12	9.56	-31.32
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCCC1	REAL300020273980	1	56	-1.0	-40.83	430.16	9.56	-31.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020273981	0	59	0.0	-65.01	441.02	7.95	-57.06
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020273981	1	59	0.0	-65.03	441.08	7.97	-57.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020273982	0	56	0.0	-66.07	420.07	7.40	-58.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020273982	1	56	0.0	-66.05	420.13	7.43	-58.62
C#CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273983	0	42	-1.0	-40.37	361.78	6.46	-33.91
C#CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273983	1	42	-1.0	-40.38	361.82	6.45	-33.93
C=CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020273984	0	44	-1.0	-40.33	367.63	6.50	-33.83
C=CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020273984	1	44	-1.0	-40.30	367.67	6.49	-33.81
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020273985	0	54	-1.0	-40.49	432.12	6.62	-33.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020273985	1	54	-1.0	-40.46	432.17	6.64	-33.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020273986	0	51	-1.0	-44.71	408.11	6.08	-38.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020273986	1	51	-1.0	-44.70	408.16	6.11	-38.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020273987	0	47	-1.0	-40.01	365.32	6.00	-34.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020273987	1	47	-1.0	-40.00	365.38	6.01	-33.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020273988	0	44	-1.0	-42.37	343.19	5.46	-36.91
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020273988	1	44	-1.0	-42.39	343.24	5.48	-36.91
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020273989	0	51	-1.0	-40.78	398.15	8.10	-32.68
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020273989	1	51	-1.0	-40.78	398.20	8.09	-32.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020273990	0	56	-1.0	-40.99	435.18	3.51	-37.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020273990	1	56	-1.0	-41.08	435.24	3.53	-37.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020273990	1	57	0.0	-71.38	430.93	5.72	-65.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020273991	0	53	-1.0	-42.94	413.22	2.91	-40.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020273991	1	53	-1.0	-42.97	413.27	2.93	-40.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020273991	1	54	0.0	-69.28	412.39	5.18	-64.10
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020273992	0	56	-1.0	-39.50	432.76	9.09	-30.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020273992	1	56	-1.0	-39.50	432.82	9.11	-30.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020273993	0	53	-1.0	-41.72	414.91	8.42	-33.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020273993	1	53	-1.0	-41.72	414.97	8.45	-33.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020273994	0	58	-1.0	-40.95	445.11	9.39	-31.56
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020273994	1	58	-1.0	-40.96	445.17	9.41	-31.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020273995	0	55	-1.0	-42.42	431.97	8.65	-33.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020273995	1	55	-1.0	-42.41	432.02	8.68	-33.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020273996	0	52	-1.0	-38.91	402.20	6.82	-32.09
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020273996	1	52	-1.0	-38.91	402.26	6.84	-32.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020273997	0	49	-1.0	-42.43	381.24	6.28	-36.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020273997	1	49	-1.0	-42.40	381.30	6.30	-36.10
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)C)CC1	REAL300020273998	0	56	-1.0	-40.70	422.14	9.01	-31.69
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)C)CC1	REAL300020273998	1	56	-1.0	-40.65	422.15	9.00	-31.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020273999	0	47	-1.0	-40.38	396.53	4.87	-35.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020273999	1	47	-1.0	-40.42	396.59	4.88	-35.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020274000	0	44	-1.0	-41.77	366.06	4.21	-37.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020274000	1	44	-1.0	-41.75	366.12	4.22	-37.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020274001	0	59	0.0	-64.12	434.71	7.84	-56.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020274001	1	59	0.0	-64.10	434.76	7.85	-56.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020274002	0	56	0.0	-61.10	412.61	7.30	-53.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020274002	1	56	0.0	-61.09	412.67	7.33	-53.76
CCOC(=O)CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274003	0	55	-1.0	-48.75	444.79	7.37	-41.38
CCOC(=O)CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274003	1	55	-1.0	-48.74	444.85	7.40	-41.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020274004	0	52	-1.0	-49.07	422.18	5.57	-43.50
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020274004	1	52	-1.0	-49.06	422.13	5.56	-43.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020274005	0	49	-1.0	-49.43	395.83	5.05	-44.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020274005	1	49	-1.0	-49.44	395.77	5.02	-44.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020274006	0	48	-1.0	-43.71	397.34	4.04	-39.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020274006	1	48	-1.0	-43.70	397.39	4.06	-39.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020274007	0	53	-1.0	-47.12	430.25	5.25	-41.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020274007	1	53	-1.0	-47.14	430.30	5.26	-41.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020274008	0	50	-1.0	-48.43	406.24	4.46	-43.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020274008	1	50	-1.0	-48.42	406.29	4.49	-43.93
COCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274009	0	51	-1.0	-42.83	412.58	3.82	-39.01
COCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274009	1	51	-1.0	-42.85	412.63	3.84	-39.01
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274010	0	48	-1.0	-44.09	391.08	3.04	-41.05
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274010	1	48	-1.0	-44.04	391.13	3.06	-40.98
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020274011	0	46	-1.0	-40.29	383.40	5.98	-34.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020274011	1	46	-1.0	-40.34	383.46	6.00	-34.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020274012	0	43	-1.0	-41.72	365.62	5.32	-36.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020274012	1	43	-1.0	-41.71	365.67	5.35	-36.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020274013	0	51	-1.0	-51.57	399.30	5.17	-46.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020274013	1	51	-1.0	-51.54	399.36	5.18	-46.36
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020274014	0	48	-1.0	-47.57	378.06	4.72	-42.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020274014	1	48	-1.0	-47.55	378.12	4.74	-42.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020274015	0	49	-1.0	-44.22	419.38	6.41	-37.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020274015	1	49	-1.0	-44.24	419.44	6.44	-37.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020274016	0	48	-1.0	-43.66	385.07	3.82	-39.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020274016	1	48	-1.0	-43.68	385.12	3.85	-39.83
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020274017	0	43	-1.0	-43.45	350.84	5.23	-38.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020274017	1	43	-1.0	-43.45	350.89	5.24	-38.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020274018	0	40	-1.0	-46.50	329.34	4.45	-42.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020274018	1	40	-1.0	-46.50	329.39	4.47	-42.03
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020274019	0	47	-1.0	-44.29	374.91	7.00	-37.29
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020274019	1	47	-1.0	-44.32	374.94	6.99	-37.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020274020	0	51	-1.0	-41.66	413.00	3.49	-38.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020274020	1	51	-1.0	-41.67	413.06	3.50	-38.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020274021	0	48	-1.0	-43.15	391.50	2.70	-40.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020274021	1	48	-1.0	-43.14	391.56	2.73	-40.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020274022	0	57	-1.0	-41.48	439.99	6.35	-35.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020274022	1	57	-1.0	-41.48	440.04	6.36	-35.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020274023	0	54	-1.0	-46.41	415.90	5.82	-40.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020274023	1	54	-1.0	-46.41	415.96	5.84	-40.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020274024	0	53	-1.0	-39.16	399.33	7.13	-32.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020274024	1	53	-1.0	-39.12	399.39	7.15	-31.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020274025	0	50	-1.0	-42.33	385.91	6.65	-35.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020274025	1	50	-1.0	-42.33	385.96	6.67	-35.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)C1	REAL300020274026	0	50	-1.0	-40.27	395.11	4.67	-35.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)C1	REAL300020274026	1	50	-1.0	-40.24	395.17	4.69	-35.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)C1	REAL300020274027	0	47	-1.0	-42.82	373.60	3.89	-38.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)C1	REAL300020274027	1	47	-1.0	-42.82	373.66	3.91	-38.91
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(OC)C1	REAL300020274028	0	54	-1.0	-43.87	407.67	6.13	-37.74
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(OC)C1	REAL300020274028	1	54	-1.0	-43.83	407.69	6.12	-37.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020274029	0	55	-1.0	-47.60	425.07	6.51	-41.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020274029	1	55	-1.0	-47.61	425.13	6.53	-41.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020274030	0	51	-1.0	-44.52	409.32	2.40	-42.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020274030	1	51	-1.0	-44.49	409.38	2.42	-42.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020274031	0	48	-1.0	-51.12	393.67	1.56	-49.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020274031	1	48	-1.0	-51.11	393.72	1.59	-49.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020274032	0	47	-1.0	-43.41	400.20	5.88	-37.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020274032	1	47	-1.0	-43.41	400.14	5.86	-37.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020274033	0	54	-1.0	-41.34	423.52	6.03	-35.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020274033	1	54	-1.0	-41.34	423.57	6.04	-35.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020274034	0	51	-1.0	-42.89	398.68	5.11	-37.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020274034	1	51	-1.0	-42.91	398.74	5.12	-37.79
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274035	0	55	-1.0	-45.13	421.83	6.51	-38.62
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274035	1	55	-1.0	-45.12	421.89	6.54	-38.58
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020274036	0	50	-1.0	-45.99	403.70	4.51	-41.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020274036	1	50	-1.0	-45.99	403.75	4.52	-41.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020274037	0	47	-1.0	-46.73	382.20	3.72	-43.01
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020274037	1	47	-1.0	-46.74	382.26	3.75	-42.99
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020274038	0	54	-1.0	-41.21	392.60	5.16	-36.05
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020274038	1	54	-1.0	-41.23	392.65	5.17	-36.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020274039	0	51	-1.0	-44.75	376.11	4.53	-40.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020274039	1	51	-1.0	-44.75	376.16	4.55	-40.20
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020274040	0	53	-1.0	-39.58	411.33	5.23	-34.35
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020274040	1	53	-1.0	-39.55	411.38	5.25	-34.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020274041	0	50	-1.0	-41.77	393.52	4.56	-37.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020274041	1	50	-1.0	-41.78	393.58	4.59	-37.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020274042	0	56	-1.0	-41.01	444.82	9.19	-31.82
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020274042	1	56	-1.0	-40.99	444.88	9.20	-31.79
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020274043	0	53	-1.0	-44.07	413.80	8.55	-35.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020274043	1	53	-1.0	-44.10	413.85	8.57	-35.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020274044	0	55	-1.0	-39.68	417.98	7.36	-32.32
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020274044	1	55	-1.0	-39.65	418.04	7.38	-32.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020274045	0	52	-1.0	-42.85	396.75	6.39	-36.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020274045	1	52	-1.0	-42.88	396.81	6.41	-36.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020274046	0	56	-1.0	-43.05	431.84	4.05	-39.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020274046	1	56	-1.0	-43.11	431.90	4.07	-39.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020274046	1	57	0.0	-69.55	436.11	6.05	-63.50
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020274047	0	50	-1.0	-41.66	396.74	7.81	-33.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020274047	1	50	-1.0	-41.65	396.80	7.82	-33.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020274048	0	47	-1.0	-44.24	378.73	7.22	-37.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020274048	1	47	-1.0	-44.25	378.78	7.24	-37.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020274049	0	44	-1.0	-47.03	351.54	0.88	-46.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020274049	1	44	-1.0	-47.04	351.59	0.90	-46.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020274050	0	41	-1.0	-53.77	335.44	0.24	-53.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020274050	1	41	-1.0	-53.78	335.38	0.22	-53.56
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020274051	0	48	-1.0	-50.98	389.64	3.14	-47.84
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020274051	1	48	-1.0	-50.99	389.69	3.14	-47.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020274052	0	53	-1.0	-44.83	426.18	5.04	-39.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020274052	1	53	-1.0	-44.82	426.24	5.07	-39.75
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1	REAL300020274053	0	44	-1.0	-41.61	349.22	6.37	-35.24
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1	REAL300020274053	1	44	-1.0	-41.66	349.24	6.35	-35.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)C1	REAL300020274054	0	46	-1.0	-39.36	366.81	5.69	-33.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)C1	REAL300020274054	1	46	-1.0	-39.35	366.87	5.70	-33.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)C1	REAL300020274055	0	43	-1.0	-42.03	349.08	5.04	-36.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)C1	REAL300020274055	1	43	-1.0	-42.05	349.03	5.02	-37.03
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020274056	0	50	-1.0	-40.52	396.88	7.99	-32.53
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020274056	1	50	-1.0	-40.43	396.89	7.98	-32.45
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC1	REAL300020274057	0	41	-1.0	-40.35	340.64	2.79	-37.56
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC1	REAL300020274057	1	41	-1.0	-40.34	340.69	2.80	-37.54
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1	REAL300020274058	0	45	-1.0	-41.32	368.95	4.81	-36.51
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1	REAL300020274058	1	45	-1.0	-41.30	369.00	4.80	-36.50
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020274059	0	47	-1.0	-45.03	380.54	3.91	-41.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020274059	1	47	-1.0	-44.99	380.60	3.93	-41.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020274060	0	44	-1.0	-48.37	362.76	3.24	-45.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020274060	1	44	-1.0	-48.41	362.82	3.26	-45.15
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020274061	0	51	-1.0	-46.53	413.61	6.08	-40.45
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020274061	1	51	-1.0	-46.56	413.66	6.07	-40.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020274062	0	49	-1.0	-44.62	403.14	5.74	-38.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020274062	1	49	-1.0	-44.70	403.20	5.77	-38.93
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020274063	0	56	-1.0	-40.66	443.82	9.50	-31.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020274063	1	56	-1.0	-40.65	443.87	9.51	-31.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020274064	0	53	-1.0	-43.45	423.47	8.75	-34.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020274064	1	53	-1.0	-43.46	423.53	8.78	-34.68
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020274065	0	49	-1.0	-39.17	383.15	6.55	-32.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020274065	1	49	-1.0	-39.18	383.21	6.56	-32.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020274066	0	46	-1.0	-41.34	365.54	5.69	-35.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020274066	1	46	-1.0	-41.32	365.60	5.71	-35.61
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C)C1	REAL300020274067	0	53	-1.0	-40.15	419.66	8.42	-31.73
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C)C1	REAL300020274067	1	53	-1.0	-40.14	419.71	8.41	-31.73
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274068	0	52	-1.0	-41.29	426.27	6.77	-34.52
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274068	1	52	-1.0	-41.26	426.32	6.78	-34.48
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274069	0	49	-1.0	-42.89	404.76	5.98	-36.91
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274069	1	49	-1.0	-42.92	404.82	6.01	-36.91
CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274070	0	45	-1.0	-39.96	361.70	5.56	-34.40
CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274070	1	45	-1.0	-39.99	361.76	5.58	-34.41
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274071	0	49	-1.0	-40.21	397.36	7.46	-32.75
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274071	1	49	-1.0	-40.14	397.41	7.45	-32.69
CCOC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274072	0	51	-1.0	-43.07	419.56	4.82	-38.25
CCOC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274072	1	51	-1.0	-43.08	419.62	4.84	-38.24
CCOC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274073	0	48	-1.0	-45.37	398.07	4.04	-41.33
CCOC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274073	1	48	-1.0	-45.35	398.13	4.06	-41.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020274074	0	49	-1.0	-42.43	402.46	5.59	-36.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020274074	1	49	-1.0	-42.42	402.52	5.62	-36.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020274075	0	47	-1.0	-45.38	381.98	1.99	-43.39
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020274075	1	47	-1.0	-45.38	382.04	2.00	-43.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020274076	0	44	-1.0	-49.07	360.94	1.21	-47.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020274076	1	44	-1.0	-49.09	360.99	1.23	-47.86
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020274077	0	51	-1.0	-47.40	401.84	3.94	-43.46
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020274077	1	51	-1.0	-47.48	401.86	3.93	-43.55
CCOC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274078	0	52	-1.0	-44.58	425.46	6.94	-37.64
CCOC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274078	1	52	-1.0	-44.58	425.52	6.96	-37.62
CCOC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274079	0	49	-1.0	-45.48	404.80	5.95	-39.53
CCOC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274079	1	49	-1.0	-45.51	404.85	5.98	-39.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020274080	0	50	-1.0	-43.56	412.30	5.76	-37.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020274080	1	50	-1.0	-43.58	412.24	5.74	-37.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020274081	0	47	-1.0	-45.99	390.82	4.99	-41.00
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020274081	1	47	-1.0	-45.97	390.77	4.96	-41.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)CC1	REAL300020274082	0	46	-1.0	-39.33	366.24	5.90	-33.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)CC1	REAL300020274082	1	46	-1.0	-39.37	366.30	5.91	-33.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)CC1	REAL300020274083	0	43	-1.0	-42.56	345.96	5.17	-37.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)CC1	REAL300020274083	1	43	-1.0	-42.58	345.90	5.15	-37.43
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020274084	0	50	-1.0	-40.92	386.80	7.89	-33.03
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020274084	1	50	-1.0	-40.91	386.84	7.88	-33.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020274085	0	51	-1.0	-41.79	415.91	5.53	-36.26
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020274085	1	51	-1.0	-41.80	415.97	5.55	-36.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020274086	0	48	-1.0	-43.49	393.76	4.95	-38.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020274086	1	48	-1.0	-43.49	393.82	4.97	-38.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020274087	0	55	-1.0	-41.97	437.28	7.26	-34.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020274087	1	55	-1.0	-41.99	437.34	7.29	-34.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020274088	0	47	-1.0	-43.87	392.58	4.14	-39.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020274088	1	47	-1.0	-43.91	392.64	4.16	-39.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020274089	0	44	-1.0	-45.55	374.15	3.69	-41.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020274089	1	44	-1.0	-45.59	374.21	3.71	-41.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020274090	0	48	-1.0	-49.01	399.27	4.06	-44.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020274090	1	48	-1.0	-48.99	399.33	4.08	-44.91
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020274091	0	56	0.0	-62.87	421.90	7.56	-55.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020274091	1	56	0.0	-62.86	421.95	7.57	-55.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020274092	0	53	0.0	-62.79	396.12	6.73	-56.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020274092	1	53	0.0	-62.83	396.18	6.75	-56.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020274093	0	52	-1.0	-41.41	424.69	9.22	-32.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020274093	1	52	-1.0	-41.42	424.75	9.24	-32.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020274094	0	49	-1.0	-43.34	409.52	8.37	-34.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020274094	1	49	-1.0	-43.31	409.47	8.34	-34.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020274095	0	56	0.0	-65.96	435.95	8.57	-57.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020274095	1	55	-1.0	-42.45	441.01	6.33	-36.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020274095	1	55	-1.0	-42.45	441.07	6.36	-36.09
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020274096	0	43	-1.0	-38.42	392.70	6.57	-31.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020274096	1	43	-1.0	-38.42	392.75	6.58	-31.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020274097	0	40	-1.0	-39.77	371.18	5.78	-33.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020274097	1	40	-1.0	-39.76	371.24	5.81	-33.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020274098	0	51	-1.0	-42.85	420.71	5.31	-37.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020274098	1	51	-1.0	-42.86	420.77	5.34	-37.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020274099	0	54	-1.0	-43.50	438.27	7.48	-36.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020274099	1	54	-1.0	-43.53	438.32	7.50	-36.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020274100	0	46	-1.0	-41.26	385.08	6.73	-34.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020274100	1	46	-1.0	-41.26	385.14	6.74	-34.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020274101	0	43	-1.0	-42.34	376.14	6.01	-36.33
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020274101	1	43	-1.0	-42.37	376.19	6.03	-36.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020274102	0	56	0.0	-65.90	431.88	8.46	-57.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020274102	1	56	0.0	-67.09	431.31	8.46	-58.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020274102	1	56	0.0	-65.88	431.94	8.49	-57.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020274102	1	56	0.0	-67.12	431.37	8.48	-58.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020274103	0	49	-1.0	-52.63	405.44	2.41	-50.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020274103	1	49	-1.0	-52.64	405.50	2.43	-50.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020274104	0	46	-1.0	-57.87	387.70	1.75	-56.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020274104	1	46	-1.0	-57.88	387.76	1.76	-56.12
CCC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCOC)CC2)C=C1	REAL300020274105	0	55	-1.0	-42.27	438.92	6.98	-35.29
CCC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCOC)CC2)C=C1	REAL300020274105	1	55	-1.0	-42.31	438.98	7.00	-35.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020274106	0	48	-1.0	-45.13	398.65	4.83	-40.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020274106	1	48	-1.0	-45.11	398.59	4.81	-40.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020274107	0	50	-1.0	-42.43	417.48	6.91	-35.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020274107	1	50	-1.0	-42.39	417.54	6.92	-35.47
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020274108	0	47	-1.0	-45.47	387.61	5.77	-39.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020274108	1	47	-1.0	-45.46	387.55	5.74	-39.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020274109	0	49	-1.0	-41.10	414.64	7.46	-33.64
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020274109	1	49	-1.0	-41.08	414.69	7.48	-33.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020274110	0	46	-1.0	-42.73	393.26	6.70	-36.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020274110	1	46	-1.0	-42.71	393.21	6.68	-36.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020274111	0	49	-1.0	-39.76	411.25	5.31	-34.45
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020274111	1	49	-1.0	-39.74	411.31	5.33	-34.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020274112	0	46	-1.0	-41.97	389.48	4.54	-37.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020274112	1	46	-1.0	-41.97	389.54	4.56	-37.41
COCCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274113	0	57	-1.0	-45.71	463.02	3.67	-42.04
COCCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274113	1	57	-1.0	-45.71	463.08	3.68	-42.03
COCCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274114	0	54	-1.0	-45.79	449.05	2.80	-42.99
COCCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274114	1	54	-1.0	-45.76	449.11	2.82	-42.94
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274115	0	58	0.0	-65.44	436.55	7.86	-57.58
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274115	1	58	0.0	-65.45	436.60	7.88	-57.57
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274116	0	55	0.0	-67.17	405.47	6.87	-60.30
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274116	1	55	0.0	-67.12	405.53	6.90	-60.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020274117	0	53	-1.0	-41.71	434.13	4.67	-37.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020274117	1	53	-1.0	-41.68	434.19	4.69	-36.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020274118	0	50	-1.0	-43.41	410.41	3.95	-39.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020274118	1	50	-1.0	-43.39	410.46	3.97	-39.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020274119	0	55	-1.0	-39.73	438.65	6.92	-32.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020274119	1	55	-1.0	-39.75	438.70	6.93	-32.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020274120	0	52	-1.0	-41.55	420.86	6.25	-35.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020274120	1	52	-1.0	-41.57	420.91	6.27	-35.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020274121	0	46	-1.0	-39.39	391.47	7.10	-32.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020274121	1	46	-1.0	-39.41	391.53	7.12	-32.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020274122	0	43	-1.0	-41.77	369.70	6.30	-35.47
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020274122	1	43	-1.0	-41.79	369.76	6.32	-35.47
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274123	0	52	-1.0	-39.23	406.67	7.09	-32.14
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274123	1	52	-1.0	-39.25	406.72	7.10	-32.15
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274124	0	49	-1.0	-43.02	374.27	5.96	-37.06
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274124	1	49	-1.0	-43.02	374.33	5.99	-37.03
CCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020274125	0	56	-1.0	-40.08	438.70	9.19	-30.89
CCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020274125	1	56	-1.0	-40.08	438.75	9.18	-30.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020274126	0	53	-1.0	-43.28	441.44	6.98	-36.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020274126	1	53	-1.0	-43.26	441.49	7.00	-36.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020274127	0	54	-1.0	-39.32	431.55	6.84	-32.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020274127	1	54	-1.0	-39.28	431.61	6.86	-32.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020274128	0	51	-1.0	-40.47	410.02	6.07	-34.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020274128	1	51	-1.0	-40.50	410.08	6.09	-34.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020274129	0	46	-1.0	-40.48	396.50	5.38	-35.10
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020274129	1	46	-1.0	-40.46	396.56	5.40	-35.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020274130	0	43	-1.0	-45.68	368.76	4.73	-40.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020274130	1	43	-1.0	-45.66	368.82	4.76	-40.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020274131	0	54	-1.0	-38.20	418.54	8.02	-30.18
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020274131	1	54	-1.0	-38.20	418.60	8.04	-30.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020274132	0	51	-1.0	-41.20	396.50	7.62	-33.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020274132	1	51	-1.0	-41.19	396.55	7.64	-33.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020274133	0	57	0.0	-59.36	413.15	8.24	-51.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020274133	1	57	0.0	-59.41	413.20	8.25	-51.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020274134	0	48	-1.0	-50.31	415.62	4.68	-45.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020274134	1	48	-1.0	-50.38	415.69	4.70	-45.68
CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274135	0	53	-1.0	-43.72	429.01	4.21	-39.51
CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274135	1	53	-1.0	-43.76	429.06	4.22	-39.54
CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274136	0	50	-1.0	-45.06	407.50	3.42	-41.64
CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274136	1	50	-1.0	-45.10	407.56	3.45	-41.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020274137	0	50	-1.0	-46.54	409.35	3.55	-42.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020274137	1	50	-1.0	-46.56	409.41	3.56	-43.00
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020274138	0	47	-1.0	-49.70	388.13	2.76	-46.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020274138	1	47	-1.0	-49.70	388.18	2.78	-46.92
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020274139	0	54	-1.0	-46.34	427.77	3.64	-42.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020274139	1	54	-1.0	-46.33	427.83	3.67	-42.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020274140	0	43	-1.0	-40.08	369.34	6.09	-33.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020274140	1	43	-1.0	-40.09	369.40	6.11	-33.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020274141	0	40	-1.0	-43.51	347.89	5.33	-38.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020274141	1	40	-1.0	-43.50	347.84	5.31	-38.19
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CS1	REAL300020274142	0	47	-1.0	-41.61	392.23	8.01	-33.60
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CS1	REAL300020274142	1	47	-1.0	-41.58	392.26	8.00	-33.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020274143	0	43	-1.0	-40.66	383.24	6.91	-33.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020274143	1	43	-1.0	-40.68	383.29	6.94	-33.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020274144	0	53	-1.0	-44.20	420.38	5.21	-38.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020274144	1	53	-1.0	-44.16	420.43	5.22	-38.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020274145	0	50	-1.0	-47.72	400.53	4.45	-43.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020274145	1	50	-1.0	-47.75	400.59	4.48	-43.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020274146	0	52	-1.0	-44.06	417.17	6.70	-37.36
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020274146	1	52	-1.0	-44.06	417.22	6.71	-37.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020274147	0	49	-1.0	-46.35	393.31	5.75	-40.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020274147	1	49	-1.0	-46.36	393.37	5.77	-40.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020274148	0	54	-1.0	-44.92	425.87	5.94	-38.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020274148	1	54	-1.0	-44.94	425.93	5.96	-38.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020274149	0	51	-1.0	-47.16	403.92	5.34	-41.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020274149	1	51	-1.0	-47.15	403.98	5.36	-41.79
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC)C1	REAL300020274150	0	47	-1.0	-40.67	378.59	4.08	-36.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC)C1	REAL300020274150	1	47	-1.0	-40.62	378.65	4.10	-36.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC)C1	REAL300020274151	0	44	-1.0	-42.49	360.81	3.42	-39.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC)C1	REAL300020274151	1	44	-1.0	-42.49	360.87	3.44	-39.05
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OC)C1	REAL300020274152	0	51	-1.0	-42.78	399.64	6.26	-36.52
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OC)C1	REAL300020274152	1	51	-1.0	-42.72	399.68	6.26	-36.46
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC)CC1	REAL300020274153	0	50	-1.0	-40.25	399.91	4.80	-35.45
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC)CC1	REAL300020274153	1	50	-1.0	-40.26	399.96	4.81	-35.45
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)CC1	REAL300020274154	0	47	-1.0	-42.66	377.96	4.19	-38.47
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)CC1	REAL300020274154	1	47	-1.0	-42.73	378.01	4.21	-38.52
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COC)CC1	REAL300020274155	0	54	-1.0	-41.24	430.54	6.88	-34.36
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COC)CC1	REAL300020274155	1	54	-1.0	-41.22	430.57	6.88	-34.34
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020274156	0	42	-1.0	-46.51	355.11	2.37	-44.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020274156	1	42	-1.0	-46.52	355.17	2.38	-44.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020274157	0	39	-1.0	-46.79	337.20	1.70	-45.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020274157	1	39	-1.0	-46.78	337.26	1.72	-45.06
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020274158	0	46	-1.0	-47.84	387.06	4.47	-43.37
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020274158	1	46	-1.0	-47.86	387.10	4.46	-43.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020274159	0	59	0.0	-61.17	440.33	8.14	-53.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020274159	1	59	0.0	-61.18	440.39	8.15	-53.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020274160	0	56	0.0	-61.59	422.55	7.47	-54.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020274160	1	56	0.0	-61.63	422.60	7.50	-54.13
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274161	0	44	-1.0	-39.36	362.32	5.68	-33.68
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274161	1	44	-1.0	-39.35	362.38	5.70	-33.65
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274162	0	41	-1.0	-41.75	340.88	4.92	-36.83
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274162	1	41	-1.0	-41.76	340.82	4.90	-36.86
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CC1	REAL300020274163	0	48	-1.0	-40.19	390.72	7.70	-32.49
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1	REAL300020274163	1	48	-1.0	-40.15	390.76	7.69	-32.46
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020274164	0	50	-1.0	-39.92	388.43	5.03	-34.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020274164	1	50	-1.0	-39.98	388.49	5.04	-34.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020274165	0	47	-1.0	-43.24	372.26	4.40	-38.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020274165	1	47	-1.0	-43.25	372.32	4.43	-38.82
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCOC1	REAL300020274166	0	54	-1.0	-41.44	421.16	7.15	-34.29
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCOC1	REAL300020274166	1	54	-1.0	-41.47	421.19	7.14	-34.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020274167	0	56	-1.0	-40.03	435.60	8.97	-31.06
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020274167	1	56	-1.0	-40.05	435.66	8.98	-31.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020274168	0	53	-1.0	-42.92	411.18	8.10	-34.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020274168	1	53	-1.0	-42.91	411.24	8.12	-34.79
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020274169	0	56	-1.0	-39.80	444.37	9.28	-30.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020274169	1	56	-1.0	-39.77	444.43	9.29	-30.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020274170	0	53	-1.0	-42.41	426.55	8.61	-33.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020274170	1	53	-1.0	-42.41	426.61	8.64	-33.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020274171	0	42	-1.0	-43.55	357.46	3.11	-40.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020274171	1	42	-1.0	-43.59	357.52	3.13	-40.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020274172	0	39	-1.0	-45.48	338.98	2.67	-42.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020274172	1	39	-1.0	-45.48	339.03	2.70	-42.78
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020274173	0	46	-1.0	-45.45	387.00	5.43	-40.02
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020274173	1	46	-1.0	-45.44	387.06	5.42	-40.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020274174	0	55	-1.0	-47.61	435.81	3.07	-44.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020274174	1	55	-1.0	-47.61	435.87	3.08	-44.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020274175	0	52	-1.0	-49.15	418.05	2.36	-46.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020274175	1	52	-1.0	-49.17	418.11	2.38	-46.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020274176	0	46	-1.0	-42.35	382.15	4.73	-37.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020274176	1	46	-1.0	-42.35	382.09	4.72	-37.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020274177	0	43	-1.0	-44.42	360.42	3.95	-40.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020274177	1	43	-1.0	-44.41	360.37	3.93	-40.48
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020274178	0	50	-1.0	-45.14	405.87	6.67	-38.47
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020274178	1	50	-1.0	-45.19	405.84	6.67	-38.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020274179	0	49	-1.0	-42.88	412.21	4.72	-38.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020274179	1	49	-1.0	-42.89	412.26	4.75	-38.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020274179	1	50	0.0	-65.90	414.74	7.00	-58.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020274180	0	49	-1.0	-42.22	411.30	5.47	-36.75
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020274180	1	49	-1.0	-42.21	411.36	5.48	-36.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020274181	0	46	-1.0	-44.36	389.47	4.75	-39.61
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020274181	1	46	-1.0	-44.35	389.52	4.77	-39.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020274182	0	51	-1.0	-47.14	419.58	3.74	-43.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020274182	1	51	-1.0	-47.12	419.64	3.76	-43.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020274183	0	48	-1.0	-41.71	411.67	6.71	-35.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020274183	1	48	-1.0	-41.72	411.72	6.72	-35.00
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020274184	0	45	-1.0	-43.57	396.53	5.73	-37.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020274184	1	45	-1.0	-43.57	396.50	5.78	-37.79
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020274185	0	53	-1.0	-41.26	429.73	7.05	-34.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020274185	1	53	-1.0	-41.28	429.79	7.07	-34.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020274186	0	50	-1.0	-43.96	408.24	6.27	-37.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020274186	1	50	-1.0	-43.98	408.29	6.30	-37.68
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274187	0	48	-1.0	-40.40	391.85	5.14	-35.26
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274187	1	48	-1.0	-40.37	391.91	5.15	-35.22
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274188	0	45	-1.0	-41.43	370.35	4.35	-37.08
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274188	1	45	-1.0	-41.48	370.41	4.38	-37.10
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020274189	0	52	-1.0	-41.43	420.34	7.12	-34.31
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020274189	1	52	-1.0	-41.44	420.37	7.11	-34.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020274190	0	46	-1.0	-39.45	370.64	5.47	-33.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020274190	1	46	-1.0	-39.44	370.70	5.48	-33.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020274191	0	43	-1.0	-42.25	343.86	4.79	-37.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020274191	1	43	-1.0	-42.22	343.80	4.77	-37.45
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020274192	0	50	-1.0	-41.36	389.05	7.32	-34.04
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020274192	1	50	-1.0	-41.35	389.09	7.32	-34.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020274193	0	52	-1.0	-39.69	404.98	7.12	-32.57
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020274193	1	52	-1.0	-39.70	405.04	7.13	-32.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020274194	0	49	-1.0	-43.03	380.56	6.24	-36.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020274194	1	49	-1.0	-43.06	380.62	6.26	-36.80
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)C)C1	REAL300020274195	0	56	-1.0	-41.13	423.14	8.96	-32.17
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)C)C1	REAL300020274195	1	56	-1.0	-41.14	423.18	8.95	-32.19
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274196	0	50	-1.0	-41.08	400.89	4.82	-36.26
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274196	1	50	-1.0	-41.15	400.94	4.84	-36.31
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274197	0	47	-1.0	-43.99	382.53	4.14	-39.85
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274197	1	47	-1.0	-44.00	382.60	4.16	-39.84
COCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020274198	0	54	-1.0	-42.85	423.34	6.75	-36.10
COCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020274198	1	54	-1.0	-42.81	423.37	6.74	-36.07
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020274199	0	50	-1.0	-39.94	389.70	6.96	-32.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020274199	1	50	-1.0	-39.90	389.76	6.97	-32.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020274200	0	47	-1.0	-41.82	372.32	6.28	-35.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020274200	1	47	-1.0	-41.83	372.38	6.31	-35.52
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020274201	0	54	-1.0	-41.28	410.74	8.93	-32.35
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020274201	1	54	-1.0	-41.25	410.77	8.92	-32.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020274202	0	58	-1.0	-40.15	455.61	3.71	-36.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020274202	1	58	-1.0	-40.15	455.67	3.73	-36.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020274202	1	59	0.0	-67.04	459.31	6.16	-60.88
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020274202	1	59	0.0	-65.96	447.73	5.97	-59.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020274203	0	55	-1.0	-43.82	426.78	3.00	-40.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020274203	1	55	-1.0	-43.85	426.83	3.02	-40.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020274203	1	56	0.0	-66.29	433.96	5.41	-60.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020274203	1	56	0.0	-67.12	431.50	5.40	-61.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020274204	0	54	-1.0	-41.07	430.01	7.00	-34.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020274204	1	54	-1.0	-41.08	430.06	7.02	-34.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020274205	0	51	-1.0	-44.30	407.37	6.48	-37.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020274205	1	51	-1.0	-44.33	407.42	6.50	-37.83
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020274206	0	51	-1.0	-41.12	386.78	5.12	-36.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020274206	1	51	-1.0	-41.10	386.84	5.14	-35.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020274207	0	48	-1.0	-43.65	368.71	4.46	-39.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020274207	1	48	-1.0	-43.66	368.76	4.48	-39.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC)C1	REAL300020274208	0	44	-1.0	-41.17	352.61	3.44	-37.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC)C1	REAL300020274208	1	44	-1.0	-41.15	352.67	3.46	-37.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC)C1	REAL300020274209	0	41	-1.0	-41.52	335.65	2.81	-38.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC)C1	REAL300020274209	1	41	-1.0	-41.50	335.71	2.84	-38.66
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OC)C1	REAL300020274210	0	48	-1.0	-41.93	385.81	5.57	-36.36
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OC)C1	REAL300020274210	1	48	-1.0	-41.90	385.80	5.56	-36.34
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020274211	0	49	-1.0	-39.77	359.57	5.37	-34.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020274211	1	49	-1.0	-39.83	359.63	5.39	-34.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020274212	0	46	-1.0	-42.97	343.02	4.72	-38.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020274212	1	46	-1.0	-43.01	343.07	4.75	-38.26
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(C)C1	REAL300020274213	0	53	-1.0	-40.92	405.53	8.34	-32.58
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(C)C1	REAL300020274213	1	53	-1.0	-40.99	405.57	8.34	-32.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)C1	REAL300020274214	0	44	-1.0	-41.23	363.66	3.38	-37.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)C1	REAL300020274214	1	44	-1.0	-41.26	363.71	3.39	-37.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)C1	REAL300020274215	0	41	-1.0	-44.46	331.33	2.81	-41.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)C1	REAL300020274215	1	41	-1.0	-44.45	331.39	2.84	-41.61
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC)C1	REAL300020274216	0	48	-1.0	-41.98	391.87	5.36	-36.62
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC)C1	REAL300020274216	1	48	-1.0	-41.98	391.91	5.35	-36.63
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274217	0	49	-1.0	-39.13	385.20	6.32	-32.81
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274217	1	49	-1.0	-39.11	385.26	6.34	-32.77
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274218	0	46	-1.0	-42.20	367.10	5.67	-36.53
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274218	1	46	-1.0	-42.24	367.16	5.70	-36.54
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020274219	0	53	-1.0	-40.39	415.23	8.64	-31.75
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020274219	1	53	-1.0	-40.34	415.23	8.63	-31.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020274220	0	52	-1.0	-39.05	403.35	7.04	-32.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020274220	1	52	-1.0	-39.09	403.41	7.05	-32.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020274221	0	49	-1.0	-41.20	381.41	6.43	-34.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020274221	1	49	-1.0	-41.22	381.46	6.45	-34.77
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020274222	0	56	-1.0	-40.05	435.40	9.16	-30.89
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020274222	1	56	-1.0	-39.98	435.44	9.15	-30.83
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274223	0	52	-1.0	-40.15	417.51	7.69	-32.46
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274223	1	52	-1.0	-40.13	417.57	7.70	-32.43
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274224	0	49	-1.0	-41.44	403.31	6.80	-34.64
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274224	1	49	-1.0	-41.44	403.36	6.82	-34.62
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274225	0	56	-1.0	-40.35	453.17	9.58	-30.77
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274225	1	56	-1.0	-40.36	453.22	9.57	-30.79
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCS1	REAL300020274226	0	47	-1.0	-38.77	386.17	6.51	-32.26
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCS1	REAL300020274226	1	47	-1.0	-38.85	386.23	6.53	-32.32
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCS1	REAL300020274227	0	44	-1.0	-40.15	368.11	5.72	-34.43
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCS1	REAL300020274227	1	44	-1.0	-40.16	368.17	5.74	-34.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1	REAL300020274228	0	46	-1.0	-40.27	360.54	5.64	-34.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1	REAL300020274228	1	46	-1.0	-40.21	360.59	5.66	-34.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1	REAL300020274229	0	43	-1.0	-42.38	338.69	4.73	-37.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1	REAL300020274229	1	43	-1.0	-42.41	338.64	4.70	-37.71
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020274230	0	50	-1.0	-41.06	388.48	7.47	-33.59
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020274230	1	50	-1.0	-41.01	388.50	7.46	-33.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020274231	0	47	-1.0	-38.57	387.56	6.55	-32.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020274231	1	47	-1.0	-38.56	387.62	6.57	-31.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020274232	0	44	-1.0	-40.40	365.59	5.96	-34.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020274232	1	44	-1.0	-40.39	365.65	5.98	-34.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020274233	0	51	-1.0	-39.26	394.24	5.25	-34.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020274233	1	51	-1.0	-39.28	394.29	5.26	-34.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020274234	0	48	-1.0	-41.64	376.73	4.79	-36.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020274234	1	48	-1.0	-41.65	376.79	4.82	-36.83
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020274235	0	50	-1.0	-39.69	399.73	5.24	-34.45
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020274235	1	50	-1.0	-39.71	399.79	5.25	-34.46
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020274236	0	47	-1.0	-42.01	382.66	4.36	-37.65
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020274236	1	47	-1.0	-42.01	382.72	4.37	-37.64
CCCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CCO1	REAL300020274237	0	54	-1.0	-41.12	427.66	7.32	-33.80
CCCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CCO1	REAL300020274237	1	54	-1.0	-41.10	427.67	7.31	-33.79
CCCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274238	0	55	-1.0	-39.35	421.51	8.04	-31.31
CCCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274238	1	55	-1.0	-39.34	421.57	8.05	-31.29
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274239	0	52	-1.0	-43.05	396.97	7.15	-35.90
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274239	1	52	-1.0	-43.05	397.02	7.18	-35.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020274240	0	56	-1.0	-50.21	447.53	4.94	-45.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020274240	1	56	-1.0	-50.23	447.59	4.96	-45.27
CCCC(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274241	0	56	-1.0	-50.40	449.48	5.04	-45.36
CCCC(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274241	1	56	-1.0	-50.34	449.53	5.06	-45.28
CCCC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274242	0	56	-1.0	-43.03	450.62	5.32	-37.71
CCCC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274242	1	56	-1.0	-43.01	450.68	5.33	-37.68
CCCC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274243	0	53	-1.0	-44.94	429.96	4.34	-40.60
CCCC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274243	1	53	-1.0	-44.96	430.02	4.36	-40.60
CCCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274244	0	56	-1.0	-49.30	450.53	4.93	-44.37
CCCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274244	1	56	-1.0	-49.30	450.59	4.95	-44.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020274245	0	54	-1.0	-47.28	434.80	5.13	-42.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020274245	1	54	-1.0	-47.29	434.86	5.14	-42.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020274246	0	51	-1.0	-53.28	417.00	4.46	-48.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020274246	1	51	-1.0	-53.32	417.06	4.48	-48.84
CCCNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274247	0	56	-1.0	-48.25	446.80	4.83	-43.42
CCCNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274247	1	56	-1.0	-48.28	446.86	4.84	-43.44
CCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274248	0	53	-1.0	-49.50	429.03	4.16	-45.34
CCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274248	1	53	-1.0	-49.47	429.09	4.18	-45.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020274249	0	56	-1.0	-44.53	446.88	4.82	-39.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020274249	1	56	-1.0	-44.59	446.94	4.84	-39.75
CNC(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274250	0	46	-1.0	-49.66	378.32	2.31	-47.35
CNC(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274250	1	46	-1.0	-49.64	378.38	2.32	-47.32
CNC(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274251	0	43	-1.0	-49.86	364.11	1.42	-48.44
CNC(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274251	1	43	-1.0	-49.86	364.17	1.44	-48.42
CNC(=O)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274252	0	50	-1.0	-49.41	413.98	4.20	-45.21
CNC(=O)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274252	1	50	-1.0	-49.30	414.02	4.19	-45.11
CCCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274253	0	56	-1.0	-48.31	447.36	5.08	-43.23
CCCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274253	1	56	-1.0	-48.33	447.41	5.10	-43.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020274254	0	43	-1.0	-39.59	368.92	5.96	-33.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020274254	1	43	-1.0	-39.55	368.98	5.97	-33.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020274255	0	40	-1.0	-42.65	347.22	5.19	-37.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020274255	1	40	-1.0	-42.63	347.16	5.16	-37.47
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CSC=C1	REAL300020274256	0	47	-1.0	-41.12	391.80	7.88	-33.24
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CSC=C1	REAL300020274256	1	47	-1.0	-41.13	391.83	7.87	-33.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020274257	0	51	-1.0	-48.10	423.37	1.13	-46.97
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020274257	1	51	-1.0	-48.12	423.43	1.14	-46.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020274258	0	48	-1.0	-49.37	401.86	0.34	-49.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020274258	1	48	-1.0	-49.39	401.92	0.36	-49.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020274259	0	52	-1.0	-44.41	427.81	7.78	-36.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020274259	1	52	-1.0	-44.42	427.86	7.81	-36.61
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020274260	0	55	-1.0	-39.64	442.24	7.48	-32.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020274260	1	55	-1.0	-39.68	442.30	7.49	-32.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020274261	0	52	-1.0	-42.62	414.26	6.88	-35.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020274261	1	52	-1.0	-42.61	414.31	6.90	-35.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020274262	0	48	-1.0	-45.15	401.01	1.57	-43.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020274262	1	48	-1.0	-45.12	401.07	1.59	-43.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020274263	0	45	-1.0	-46.89	383.33	0.87	-46.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020274263	1	45	-1.0	-46.90	383.39	0.89	-46.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020274264	0	50	-1.0	-42.02	407.09	3.54	-38.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020274264	1	50	-1.0	-42.06	407.04	3.53	-38.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020274265	0	47	-1.0	-44.84	389.31	2.89	-41.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020274265	1	47	-1.0	-44.86	389.26	2.86	-42.00
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020274266	0	53	-1.0	-39.52	423.07	8.53	-30.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020274266	1	53	-1.0	-39.51	423.13	8.55	-30.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020274267	0	50	-1.0	-41.48	401.13	7.93	-33.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020274267	1	50	-1.0	-41.46	401.19	7.94	-33.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020274268	0	52	-1.0	-42.14	421.57	9.14	-33.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020274268	1	52	-1.0	-42.15	421.63	9.15	-33.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020274269	0	49	-1.0	-46.44	401.60	8.40	-38.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020274269	1	49	-1.0	-46.40	401.54	8.37	-38.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1	REAL300020274270	0	43	-1.0	-40.04	345.14	5.41	-34.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1	REAL300020274270	1	43	-1.0	-40.11	345.19	5.42	-34.69
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1	REAL300020274271	0	47	-1.0	-40.40	378.10	7.26	-33.14
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1	REAL300020274271	1	47	-1.0	-40.40	378.13	7.25	-33.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020274272	0	48	-1.0	-43.15	404.94	6.10	-37.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020274272	1	48	-1.0	-43.14	405.00	6.13	-37.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020274273	0	50	-1.0	-46.36	400.60	2.71	-43.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020274273	1	50	-1.0	-46.36	400.66	2.72	-43.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020274274	0	47	-1.0	-51.00	382.70	1.81	-49.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020274274	1	47	-1.0	-51.00	382.75	1.83	-49.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020274275	0	57	0.0	-71.03	438.03	5.70	-65.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020274275	1	57	0.0	-71.01	438.09	5.71	-65.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020274276	0	54	0.0	-69.10	416.06	5.11	-63.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020274276	1	54	0.0	-69.12	416.12	5.12	-64.00
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020274277	0	50	-1.0	-41.40	400.35	5.50	-35.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020274277	1	50	-1.0	-41.42	400.40	5.51	-35.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020274278	0	47	-1.0	-40.96	385.25	5.15	-35.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020274278	1	47	-1.0	-40.91	385.31	5.17	-35.74
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOCC1CC1	REAL300020274279	0	54	-1.0	-41.20	441.18	7.56	-33.64
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOCC1CC1	REAL300020274279	1	54	-1.0	-41.17	441.22	7.55	-33.62
COCCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274280	0	53	-1.0	-44.00	429.09	3.95	-40.05
COCCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274280	1	53	-1.0	-43.99	429.15	3.96	-40.03
COCCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274281	0	50	-1.0	-44.40	414.93	3.05	-41.35
COCCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274281	1	50	-1.0	-44.41	414.98	3.07	-41.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020274282	0	55	-1.0	-42.94	434.31	4.84	-38.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020274282	1	55	-1.0	-42.90	434.37	4.87	-38.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020274283	0	53	-1.0	-40.68	418.83	9.27	-31.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020274283	1	53	-1.0	-40.68	418.89	9.29	-31.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020274284	0	50	-1.0	-43.86	397.32	8.49	-35.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020274284	1	50	-1.0	-43.87	397.38	8.51	-35.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020274285	0	46	-1.0	-41.10	401.24	7.53	-33.57
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020274285	1	46	-1.0	-41.09	401.29	7.55	-33.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020274286	0	43	-1.0	-42.04	386.01	6.65	-35.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020274286	1	43	-1.0	-42.06	386.07	6.68	-35.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020274287	0	48	-1.0	-40.70	369.55	3.96	-36.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020274287	1	48	-1.0	-40.71	369.61	3.97	-36.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020274288	0	45	-1.0	-41.93	347.44	3.42	-38.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020274288	1	45	-1.0	-41.91	347.50	3.45	-38.46
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020274289	0	52	-1.0	-41.94	402.12	6.07	-35.87
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020274289	1	52	-1.0	-41.91	402.12	6.06	-35.85
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020274290	0	47	-1.0	-40.54	380.92	4.00	-36.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020274290	1	47	-1.0	-40.57	380.97	4.02	-36.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020274291	0	44	-1.0	-42.72	361.65	3.37	-39.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020274291	1	44	-1.0	-42.72	361.70	3.40	-39.32
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020274292	0	51	-1.0	-43.15	399.65	6.27	-36.88
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020274292	1	51	-1.0	-43.15	399.68	6.25	-36.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020274293	0	50	-1.0	-39.67	394.60	4.83	-34.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020274293	1	50	-1.0	-39.72	394.66	4.84	-34.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020274294	0	47	-1.0	-41.83	378.15	4.09	-37.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020274294	1	47	-1.0	-41.91	378.21	4.11	-37.80
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(C)C)C1	REAL300020274295	0	54	-1.0	-40.78	427.98	6.87	-33.91
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(C)C)C1	REAL300020274295	1	54	-1.0	-40.77	428.03	6.86	-33.91
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020274296	0	56	-1.0	-41.57	434.25	5.98	-35.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020274296	1	56	-1.0	-41.58	434.31	5.99	-35.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020274297	0	53	-1.0	-45.69	416.58	5.32	-40.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020274297	1	53	-1.0	-45.69	416.63	5.34	-40.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COC)C1	REAL300020274298	0	48	-1.0	-40.86	391.08	2.88	-37.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COC)C1	REAL300020274298	1	48	-1.0	-40.86	391.14	2.90	-37.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC)C1	REAL300020274299	0	45	-1.0	-42.53	374.01	2.00	-40.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC)C1	REAL300020274299	1	45	-1.0	-42.54	374.07	2.03	-40.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020274300	0	48	-1.0	-55.46	394.01	3.57	-51.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020274300	1	48	-1.0	-55.41	393.96	3.54	-51.87
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020274301	0	49	-1.0	-40.51	392.96	3.25	-37.26
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020274301	1	49	-1.0	-40.53	393.02	3.26	-37.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020274302	0	46	-1.0	-41.97	371.44	2.02	-39.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020274302	1	46	-1.0	-41.97	371.50	2.04	-39.93
COCCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274303	0	57	-1.0	-40.69	459.38	5.05	-35.64
COCCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274303	1	57	-1.0	-40.71	459.43	5.07	-35.64
COCCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274304	0	54	-1.0	-42.79	437.86	4.27	-38.52
COCCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274304	1	54	-1.0	-42.77	437.92	4.29	-38.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020274305	0	44	-1.0	-40.35	371.02	3.86	-36.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020274305	1	44	-1.0	-40.38	371.08	3.87	-36.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020274306	0	41	-1.0	-42.89	357.66	3.36	-39.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020274306	1	41	-1.0	-42.91	357.72	3.38	-39.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020274307	0	42	-1.0	-40.00	364.83	4.40	-35.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020274307	1	42	-1.0	-40.05	364.88	4.42	-35.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020274308	0	39	-1.0	-41.55	349.67	3.46	-38.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020274308	1	39	-1.0	-41.59	349.70	3.42	-38.17
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NC=CS1	REAL300020274309	0	46	-1.0	-41.43	387.79	6.33	-35.10
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NC=CS1	REAL300020274309	1	46	-1.0	-41.46	387.82	6.32	-35.14
CCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274310	0	50	-1.0	-40.39	397.14	5.05	-35.34
CCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274310	1	50	-1.0	-40.40	397.20	5.07	-35.33
CCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274311	0	47	-1.0	-42.80	384.03	4.40	-38.40
CCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274311	1	47	-1.0	-42.83	384.08	4.43	-38.40
CCOCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020274312	0	54	-1.0	-41.33	424.72	7.02	-34.31
CCOCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020274312	1	54	-1.0	-41.29	424.75	7.01	-34.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020274313	0	47	-1.0	-41.05	375.72	4.13	-36.92
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020274313	1	47	-1.0	-41.05	375.77	4.14	-36.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020274314	0	44	-1.0	-44.00	353.98	3.33	-40.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020274314	1	44	-1.0	-43.99	354.04	3.36	-40.63
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCOC1	REAL300020274315	0	51	-1.0	-42.63	398.64	6.05	-36.58
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCOC1	REAL300020274315	1	51	-1.0	-42.59	398.79	6.05	-36.54
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020274316	0	53	-1.0	-41.48	423.99	8.59	-32.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020274316	1	53	-1.0	-41.44	424.05	8.61	-32.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020274317	0	50	-1.0	-43.65	397.07	7.92	-35.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020274317	1	50	-1.0	-43.66	397.13	7.94	-35.72
CCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274318	0	53	-1.0	-44.36	429.40	4.31	-40.05
CCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274318	1	53	-1.0	-44.39	429.45	4.32	-40.07
CCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274319	0	50	-1.0	-44.24	415.43	3.44	-40.80
CCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274319	1	50	-1.0	-44.25	415.48	3.46	-40.79
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020274320	0	48	-1.0	-43.11	401.79	5.07	-38.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020274320	1	48	-1.0	-43.14	401.85	5.09	-38.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020274321	0	45	-1.0	-45.56	380.28	4.29	-41.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020274321	1	45	-1.0	-45.54	380.34	4.31	-41.23
CCC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCOC)CCO2)C=C1	REAL300020274322	0	54	-1.0	-43.08	441.89	7.29	-35.79
CCC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCOC)CCO2)C=C1	REAL300020274322	1	54	-1.0	-43.13	441.95	7.32	-35.81
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020274323	0	53	-1.0	-41.65	430.09	7.40	-34.25
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020274323	1	53	-1.0	-41.62	430.15	7.42	-34.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020274324	0	50	-1.0	-43.15	415.88	6.50	-36.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020274324	1	50	-1.0	-43.13	415.94	6.53	-36.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020274325	0	51	-1.0	-46.60	420.19	5.70	-40.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020274325	1	51	-1.0	-46.56	420.25	5.71	-40.85
CCN(CC)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274326	0	55	-1.0	-49.20	428.30	4.93	-44.27
CCN(CC)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274326	1	55	-1.0	-49.20	428.36	4.96	-44.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020274327	0	54	-1.0	-42.99	438.02	7.72	-35.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020274327	1	54	-1.0	-43.01	438.08	7.73	-35.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020274328	0	44	-1.0	-42.46	369.89	5.49	-36.97
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020274328	1	44	-1.0	-42.49	369.94	5.50	-36.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020274329	0	41	-1.0	-43.91	348.35	4.71	-39.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020274329	1	41	-1.0	-43.95	348.42	4.73	-39.22
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020274330	0	48	-1.0	-43.86	396.79	7.45	-36.41
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020274330	1	48	-1.0	-43.82	396.84	7.45	-36.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020274331	0	48	-1.0	-44.67	392.04	4.57	-40.10
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020274331	1	48	-1.0	-44.70	392.10	4.59	-40.11
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020274332	0	45	-1.0	-46.47	370.03	3.97	-42.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020274332	1	45	-1.0	-46.46	370.09	4.01	-42.45
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020274333	0	45	-1.0	-46.86	374.49	0.58	-46.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020274333	1	45	-1.0	-46.85	374.55	0.59	-46.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020274334	0	42	-1.0	-47.23	356.77	-0.09	-47.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020274334	1	42	-1.0	-47.24	356.82	-0.06	-47.30
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020274335	0	49	-1.0	-48.05	394.37	2.74	-45.31
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020274335	1	49	-1.0	-48.12	394.47	2.74	-45.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020274336	0	56	-1.0	-42.70	447.66	9.29	-33.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020274336	1	56	-1.0	-42.69	447.72	9.32	-33.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020274337	0	55	-1.0	-45.32	429.21	6.64	-38.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020274337	1	55	-1.0	-45.34	429.27	6.67	-38.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020274338	0	49	-1.0	-42.18	410.75	4.39	-37.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020274338	1	49	-1.0	-42.16	410.81	4.43	-37.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020274338	1	50	0.0	-66.89	409.45	6.88	-60.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020274339	0	47	-1.0	-40.30	374.60	4.49	-35.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020274339	1	47	-1.0	-40.29	374.66	4.50	-35.79
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020274340	0	44	-1.0	-42.45	352.68	3.71	-38.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020274340	1	44	-1.0	-42.49	352.74	3.73	-38.76
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020274341	0	51	-1.0	-41.58	394.29	6.42	-35.16
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020274341	1	51	-1.0	-41.59	394.34	6.42	-35.17
CCS(=O)(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274342	0	51	-1.0	-48.61	423.33	1.20	-47.41
CCS(=O)(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274342	1	51	-1.0	-48.63	423.39	1.23	-47.40
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274343	0	49	-1.0	-39.13	385.20	6.32	-32.81
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274343	1	49	-1.0	-39.11	385.26	6.34	-32.77
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274344	0	46	-1.0	-42.20	367.10	5.67	-36.53
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274344	1	46	-1.0	-42.24	367.16	5.70	-36.54
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020274345	0	53	-1.0	-40.39	415.23	8.64	-31.75
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020274345	1	53	-1.0	-40.34	415.23	8.63	-31.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020274346	0	48	-1.0	-47.78	400.85	4.37	-43.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020274346	1	48	-1.0	-47.78	400.91	4.40	-43.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020274347	0	39	-1.0	-42.55	331.98	4.01	-38.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020274347	1	39	-1.0	-42.57	332.03	4.03	-38.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020274348	0	36	-1.0	-42.65	317.40	3.25	-39.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020274348	1	36	-1.0	-42.67	317.46	3.26	-39.41
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(F)(F)F	REAL300020274349	0	43	-1.0	-40.16	361.79	6.47	-33.69
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(F)(F)F	REAL300020274349	1	43	-1.0	-40.15	361.83	6.47	-33.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020274350	0	56	-1.0	-44.99	436.82	5.76	-39.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020274350	1	56	-1.0	-44.98	436.88	5.78	-39.20
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020274351	0	55	-1.0	-41.71	443.11	9.38	-32.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020274351	1	55	-1.0	-41.73	443.17	9.39	-32.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020274352	0	52	-1.0	-42.93	428.91	8.48	-34.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020274352	1	52	-1.0	-42.96	428.96	8.50	-34.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020274353	0	43	-1.0	-41.39	390.35	7.18	-34.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020274353	1	43	-1.0	-41.43	390.41	7.21	-34.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C#N	REAL300020274354	0	43	-1.0	-44.32	360.98	5.05	-39.27
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C#N	REAL300020274354	1	43	-1.0	-44.32	361.04	5.07	-39.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C#N	REAL300020274355	0	40	-1.0	-46.01	346.11	4.43	-41.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C#N	REAL300020274355	1	40	-1.0	-46.01	346.04	4.41	-41.60
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020274356	0	47	-1.0	-46.43	390.89	7.32	-39.11
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020274356	1	47	-1.0	-46.43	390.95	7.31	-39.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020274357	0	56	0.0	-60.68	426.72	7.49	-53.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020274357	1	56	0.0	-60.62	426.78	7.50	-53.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020274358	0	53	0.0	-61.72	407.92	6.76	-54.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020274358	1	53	0.0	-61.74	407.98	6.79	-54.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020274359	0	49	-1.0	-40.37	408.03	8.03	-32.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020274359	1	49	-1.0	-40.45	408.09	8.04	-32.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020274360	0	46	-1.0	-42.71	401.88	7.51	-35.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020274360	1	46	-1.0	-42.71	401.82	7.49	-35.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020274361	0	50	-1.0	-43.62	403.38	2.78	-40.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020274361	1	50	-1.0	-43.61	403.43	2.79	-40.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020274362	0	47	-1.0	-46.57	382.67	1.80	-44.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020274362	1	47	-1.0	-46.60	382.73	1.82	-44.78
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC[N@@H+]1CCOC	REAL300020274363	0	59	0.0	-63.00	432.70	5.63	-57.37
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC[N@H+]1CCOC	REAL300020274363	1	59	0.0	-61.26	440.03	6.34	-54.92
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCN1CCOC	REAL300020274363	1	58	-1.0	-42.97	447.96	4.34	-38.63
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020274364	0	49	-1.0	-43.49	408.47	4.38	-39.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020274364	1	49	-1.0	-43.48	408.53	4.40	-39.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020274365	0	46	-1.0	-44.93	380.84	3.73	-41.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020274365	1	46	-1.0	-44.95	380.90	3.75	-41.20
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020274366	0	52	-1.0	-40.47	400.00	3.80	-36.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020274366	1	52	-1.0	-40.48	400.06	3.82	-36.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020274367	0	49	-1.0	-43.30	383.67	3.25	-40.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020274367	1	49	-1.0	-43.31	383.73	3.27	-40.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020274368	0	55	-1.0	-40.18	430.02	4.65	-35.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020274368	1	55	-1.0	-40.16	430.07	4.66	-35.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020274369	0	52	-1.0	-42.99	404.86	3.99	-39.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020274369	1	52	-1.0	-42.98	404.93	4.02	-38.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020274370	0	55	-1.0	-40.44	430.66	4.92	-35.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020274370	1	55	-1.0	-40.44	430.72	4.94	-35.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020274371	0	52	-1.0	-42.27	408.44	4.33	-37.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020274371	1	52	-1.0	-42.31	408.50	4.35	-37.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020274372	0	52	-1.0	-40.56	414.07	3.55	-37.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020274372	1	52	-1.0	-40.59	414.13	3.56	-37.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020274373	0	49	-1.0	-42.19	391.85	2.73	-39.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020274373	1	49	-1.0	-42.18	391.91	2.75	-39.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020274374	0	54	-1.0	-45.01	439.67	5.49	-39.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020274374	1	54	-1.0	-45.00	439.73	5.51	-39.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020274375	0	57	-1.0	-38.83	445.51	7.17	-31.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020274375	1	57	-1.0	-38.81	445.57	7.19	-31.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020274376	0	54	-1.0	-41.39	420.00	6.63	-34.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020274376	1	54	-1.0	-41.40	420.06	6.65	-34.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020274377	0	54	-1.0	-42.53	427.23	7.09	-35.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020274377	1	54	-1.0	-42.51	427.29	7.10	-35.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020274378	0	51	-1.0	-45.77	406.77	6.37	-39.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020274378	1	51	-1.0	-45.76	406.82	6.39	-39.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020274379	0	55	-1.0	-39.31	428.19	7.86	-31.45
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020274379	1	55	-1.0	-39.30	428.24	7.87	-31.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020274380	0	52	-1.0	-41.40	406.69	7.07	-34.33
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020274380	1	52	-1.0	-41.39	406.76	7.10	-34.29
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020274381	0	53	-1.0	-40.51	434.77	6.89	-33.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020274381	1	53	-1.0	-40.51	434.83	6.90	-33.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020274382	0	50	-1.0	-42.14	409.51	6.14	-36.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020274382	1	50	-1.0	-42.17	409.55	6.15	-36.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020274383	0	53	-1.0	-41.44	423.96	8.24	-33.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020274383	1	53	-1.0	-41.41	424.02	8.25	-33.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020274384	0	50	-1.0	-43.50	388.65	7.58	-35.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020274384	1	50	-1.0	-43.52	388.71	7.60	-35.92
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020274385	0	41	-1.0	-46.20	339.29	1.18	-45.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020274385	1	41	-1.0	-46.17	339.35	1.20	-44.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020274386	0	38	-1.0	-49.41	317.86	0.41	-49.00
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020274386	1	38	-1.0	-49.41	317.79	0.39	-49.02
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020274387	0	45	-1.0	-48.05	364.01	2.48	-45.57
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020274387	1	45	-1.0	-48.03	364.06	2.48	-45.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020274388	0	55	-1.0	-51.15	442.50	2.11	-49.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020274388	1	55	-1.0	-51.20	442.56	2.13	-49.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020274389	0	53	-1.0	-48.73	431.89	2.16	-46.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020274389	1	53	-1.0	-48.74	431.95	2.19	-46.55
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C=C1	REAL300020274390	0	53	-1.0	-44.90	435.10	5.25	-39.65
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C=C1	REAL300020274390	1	53	-1.0	-44.89	435.16	5.26	-39.63
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C=C1	REAL300020274391	0	50	-1.0	-45.76	419.87	4.37	-41.39
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C=C1	REAL300020274391	1	50	-1.0	-45.73	419.92	4.39	-41.34
CCNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274392	0	52	-1.0	-45.52	420.58	3.83	-41.69
CCNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274392	1	52	-1.0	-45.49	420.64	3.85	-41.64
CCNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274393	0	49	-1.0	-48.51	399.21	3.02	-45.49
CCNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274393	1	49	-1.0	-48.50	399.26	3.05	-45.45
CNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274394	0	50	-1.0	-44.28	407.52	3.38	-40.90
CNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274394	1	50	-1.0	-44.30	407.58	3.39	-40.91
CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274395	0	47	-1.0	-45.54	386.01	2.59	-42.95
CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274395	1	47	-1.0	-45.59	386.07	2.62	-42.97
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020274396	0	49	-1.0	-41.52	404.40	5.84	-35.68
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020274396	1	49	-1.0	-41.55	404.46	5.86	-35.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020274397	0	46	-1.0	-43.17	382.90	5.06	-38.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020274397	1	46	-1.0	-43.08	382.95	5.08	-38.00
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020274398	0	48	-1.0	-55.54	408.02	4.88	-50.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020274398	1	48	-1.0	-55.56	408.08	4.91	-50.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020274399	0	50	-1.0	-42.31	403.03	6.50	-35.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020274399	1	50	-1.0	-42.32	403.09	6.51	-35.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020274400	0	47	-1.0	-44.85	390.94	5.81	-39.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020274400	1	47	-1.0	-44.86	391.00	5.82	-39.04
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C=C1	REAL300020274401	0	53	-1.0	-40.69	430.00	7.19	-33.50
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C=C1	REAL300020274401	1	53	-1.0	-40.68	430.05	7.20	-33.48
CCOC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C=C1	REAL300020274402	0	50	-1.0	-42.15	414.77	6.31	-35.84
CCOC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C=C1	REAL300020274402	1	50	-1.0	-42.17	414.82	6.34	-35.83
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020274403	0	50	-1.0	-41.67	401.54	6.54	-35.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020274403	1	50	-1.0	-41.65	401.60	6.56	-35.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020274404	0	47	-1.0	-44.89	380.89	5.76	-39.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020274404	1	47	-1.0	-44.85	380.84	5.73	-39.12
CCC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C=C1	REAL300020274405	0	52	-1.0	-39.89	421.53	8.41	-31.48
CCC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C=C1	REAL300020274405	1	52	-1.0	-39.90	421.59	8.42	-31.48
CCC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C=C1	REAL300020274406	0	49	-1.0	-41.90	406.36	7.55	-34.35
CCC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C=C1	REAL300020274406	1	49	-1.0	-41.89	406.30	7.53	-34.36
CCC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C2=CC=CC=C2O1	REAL300020274407	0	52	-1.0	-43.98	427.55	7.79	-36.19
CCC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C2=CC=CC=C2O1	REAL300020274407	1	52	-1.0	-44.04	427.60	7.82	-36.22
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C=C1	REAL300020274408	0	57	-1.0	-42.81	458.53	8.39	-34.42
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C=C1	REAL300020274408	1	57	-1.0	-42.78	458.59	8.42	-34.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020274409	0	50	-1.0	-40.91	416.12	6.78	-34.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020274409	1	50	-1.0	-40.93	416.18	6.79	-34.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020274410	0	47	-1.0	-41.91	397.61	6.09	-35.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020274410	1	47	-1.0	-41.89	397.67	6.11	-35.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020274411	0	47	-1.0	-44.07	410.84	6.29	-37.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020274411	1	47	-1.0	-44.08	410.89	6.31	-37.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020274412	0	47	-1.0	-43.35	406.98	6.37	-36.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020274412	1	47	-1.0	-43.34	407.03	6.37	-36.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020274413	0	55	-1.0	-41.53	441.80	6.60	-34.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020274413	1	55	-1.0	-41.48	441.86	6.63	-34.85
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020274414	0	50	-1.0	-42.23	422.84	6.61	-35.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020274414	1	50	-1.0	-42.21	422.90	6.62	-35.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020274415	0	47	-1.0	-44.29	397.18	5.87	-38.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020274415	1	47	-1.0	-44.29	397.24	5.90	-38.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020274416	0	53	-1.0	-42.10	423.11	7.25	-34.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020274416	1	53	-1.0	-42.13	423.16	7.27	-34.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020274417	0	50	-1.0	-43.40	414.34	6.53	-36.87
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020274417	1	50	-1.0	-43.43	414.40	6.55	-36.88
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020274418	0	48	-1.0	-45.15	401.01	1.57	-43.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020274418	1	48	-1.0	-45.12	401.07	1.59	-43.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020274419	0	45	-1.0	-46.89	383.33	0.87	-46.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020274419	1	45	-1.0	-46.90	383.39	0.89	-46.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020274420	0	54	-1.0	-43.40	438.53	4.55	-38.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020274420	1	54	-1.0	-43.40	438.59	4.56	-38.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020274421	0	51	-1.0	-45.94	417.04	3.76	-42.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020274421	1	51	-1.0	-45.95	417.10	3.79	-42.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020274422	0	55	-1.0	-40.11	435.93	6.67	-33.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020274422	1	55	-1.0	-40.14	435.98	6.68	-33.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020274423	0	52	-1.0	-42.50	418.15	6.00	-36.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020274423	1	52	-1.0	-42.50	418.21	6.02	-36.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020274424	0	52	-1.0	-42.43	424.27	4.53	-37.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020274424	1	52	-1.0	-42.45	424.33	4.55	-37.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020274425	0	49	-1.0	-44.53	402.78	3.75	-40.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020274425	1	49	-1.0	-44.52	402.84	3.77	-40.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020274426	0	47	-1.0	-39.51	378.05	4.31	-35.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020274426	1	47	-1.0	-39.49	378.10	4.32	-35.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020274427	0	44	-1.0	-41.70	356.26	3.71	-37.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020274427	1	44	-1.0	-41.70	356.31	3.72	-37.98
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020274428	0	51	-1.0	-41.31	398.60	6.30	-35.01
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020274428	1	51	-1.0	-41.27	398.63	6.29	-34.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020274429	0	56	0.0	-67.21	442.06	8.79	-58.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020274429	1	56	0.0	-67.20	442.01	8.77	-58.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020274430	0	49	-1.0	-43.46	421.19	5.77	-37.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020274430	1	49	-1.0	-43.49	421.25	5.80	-37.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020274431	0	48	-1.0	-40.79	390.13	3.30	-37.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020274431	1	48	-1.0	-40.80	390.19	3.32	-37.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020274432	0	45	-1.0	-43.14	372.61	2.62	-40.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020274432	1	45	-1.0	-43.13	372.67	2.64	-40.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)CC1	REAL300020274433	0	52	-1.0	-41.32	414.30	2.47	-38.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)CC1	REAL300020274433	1	52	-1.0	-41.35	414.35	2.49	-38.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020274433	1	53	0.0	-65.07	415.14	4.81	-60.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)CC1	REAL300020274434	0	49	-1.0	-43.84	396.24	1.81	-42.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)CC1	REAL300020274434	1	49	-1.0	-43.88	396.30	1.83	-42.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020274434	1	50	0.0	-63.02	393.23	4.20	-58.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020274435	0	49	-1.0	-44.85	403.60	6.01	-38.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020274435	1	49	-1.0	-44.80	403.66	6.03	-38.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020274436	0	46	-1.0	-45.78	382.93	5.03	-40.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020274436	1	46	-1.0	-45.77	382.99	5.05	-40.72
CCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274437	0	46	-1.0	-41.79	373.92	4.08	-37.71
CCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274437	1	46	-1.0	-41.86	373.98	4.09	-37.77
CCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274438	0	43	-1.0	-42.53	359.76	3.18	-39.35
CCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274438	1	43	-1.0	-42.55	359.81	3.20	-39.35
CCOCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274439	0	50	-1.0	-41.15	409.63	5.98	-35.17
CCOCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274439	1	50	-1.0	-41.18	409.67	5.97	-35.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020274440	0	53	-1.0	-45.63	426.61	3.30	-42.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020274440	1	53	-1.0	-45.58	426.66	3.32	-42.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020274441	0	50	-1.0	-47.42	405.09	2.52	-44.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020274441	1	50	-1.0	-47.40	405.15	2.54	-44.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020274442	0	58	-1.0	-41.06	456.42	4.21	-36.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020274442	1	58	-1.0	-41.09	456.48	4.22	-36.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020274442	1	59	0.0	-65.20	457.27	6.52	-58.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020274443	0	55	-1.0	-43.71	438.37	3.54	-40.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020274443	1	55	-1.0	-43.72	438.43	3.55	-40.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020274443	1	56	0.0	-63.13	435.29	5.91	-57.22
COCCC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)=N1	REAL300020274444	0	51	-1.0	-39.82	426.88	2.64	-37.18
COCCC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)=N1	REAL300020274444	1	51	-1.0	-39.85	426.94	2.65	-37.20
COCCC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)=N1	REAL300020274445	0	48	-1.0	-40.32	411.71	1.64	-38.68
COCCC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)=N1	REAL300020274445	1	48	-1.0	-40.32	411.76	1.66	-38.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020274446	0	53	-1.0	-40.80	406.79	5.40	-35.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020274446	1	53	-1.0	-40.79	406.85	5.42	-35.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020274447	0	50	-1.0	-42.41	397.83	4.69	-37.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020274447	1	50	-1.0	-42.40	397.89	4.71	-37.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020274448	0	51	-1.0	-40.11	390.04	5.35	-34.76
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020274448	1	51	-1.0	-40.10	390.10	5.36	-34.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020274449	0	48	-1.0	-41.84	379.57	4.59	-37.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020274449	1	48	-1.0	-41.86	379.63	4.62	-37.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020274450	0	57	0.0	-67.21	436.15	5.65	-61.56
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020274450	1	57	0.0	-67.21	436.21	5.67	-61.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020274451	0	54	0.0	-64.57	405.89	4.74	-59.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020274451	1	54	0.0	-64.57	405.94	4.75	-59.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020274452	0	49	-1.0	-44.12	419.30	5.96	-38.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020274452	1	49	-1.0	-44.12	419.36	5.98	-38.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020274453	0	54	-1.0	-41.24	434.29	7.37	-33.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020274453	1	54	-1.0	-41.25	434.34	7.39	-33.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020274454	0	51	-1.0	-43.41	399.55	6.43	-36.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020274454	1	51	-1.0	-43.40	399.61	6.45	-36.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020274455	0	48	-1.0	-43.12	406.95	4.05	-39.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020274455	1	48	-1.0	-43.16	407.01	4.07	-39.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020274456	0	57	0.0	-70.30	431.86	6.02	-64.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020274456	1	57	0.0	-70.32	431.92	6.05	-64.27
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274457	0	61	0.0	-68.82	460.38	8.63	-60.19
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274457	1	61	0.0	-68.28	460.11	8.68	-59.60
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274457	1	61	0.0	-68.85	460.44	8.64	-60.21
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274457	1	61	0.0	-68.28	460.16	8.69	-59.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020274458	0	43	-1.0	-44.14	386.20	6.72	-37.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020274458	1	43	-1.0	-44.13	386.25	6.75	-37.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020274459	0	51	-1.0	-48.85	426.11	1.22	-47.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020274459	1	51	-1.0	-48.83	426.17	1.24	-47.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020274460	0	53	-1.0	-45.95	433.83	6.15	-39.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020274460	1	53	-1.0	-46.00	433.89	6.17	-39.83
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020274461	0	53	-1.0	-41.00	418.51	8.46	-32.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020274461	1	53	-1.0	-41.04	418.57	8.47	-32.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020274462	0	50	-1.0	-41.84	391.46	7.76	-34.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020274462	1	50	-1.0	-41.80	391.51	7.79	-34.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020274463	0	45	-1.0	-53.86	382.36	1.56	-52.30
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020274463	1	45	-1.0	-53.78	382.42	1.57	-52.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020274464	0	42	-1.0	-53.81	368.14	0.66	-53.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020274464	1	42	-1.0	-53.79	368.19	0.69	-53.10
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020274465	0	55	-1.0	-41.97	437.28	7.26	-34.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020274465	1	55	-1.0	-41.99	437.34	7.29	-34.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020274466	0	48	-1.0	-41.84	415.48	6.55	-35.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020274466	1	48	-1.0	-41.80	415.53	6.56	-35.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020274467	0	45	-1.0	-42.58	386.64	5.65	-36.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020274467	1	45	-1.0	-42.62	386.70	5.67	-36.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020274468	0	55	-1.0	-42.31	434.14	7.81	-34.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020274468	1	55	-1.0	-42.34	434.19	7.83	-34.51
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020274469	0	52	-1.0	-42.84	412.39	4.09	-38.75
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020274469	1	52	-1.0	-42.82	412.45	4.11	-38.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020274470	0	49	-1.0	-45.57	396.30	3.13	-42.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020274470	1	49	-1.0	-45.60	396.36	3.16	-42.44
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274471	0	46	-1.0	-40.35	361.19	5.70	-34.65
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274471	1	46	-1.0	-40.34	361.24	5.71	-34.63
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274472	0	43	-1.0	-42.59	348.92	5.09	-37.50
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274472	1	43	-1.0	-42.59	348.86	5.07	-37.52
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020274473	0	50	-1.0	-41.02	393.17	7.70	-33.32
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020274473	1	50	-1.0	-40.98	393.20	7.69	-33.29
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020274474	0	47	-1.0	-39.65	378.16	6.06	-33.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020274474	1	47	-1.0	-39.62	378.22	6.07	-33.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020274475	0	44	-1.0	-43.03	344.43	5.68	-37.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020274475	1	44	-1.0	-43.03	344.49	5.71	-37.32
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020274476	0	51	-1.0	-41.40	399.80	8.36	-33.04
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020274476	1	51	-1.0	-41.38	399.85	8.35	-33.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020274477	0	51	-1.0	-44.66	420.55	8.51	-36.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020274477	1	51	-1.0	-44.65	420.61	8.53	-36.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020274478	0	53	-1.0	-43.39	433.82	7.12	-36.27
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020274478	1	53	-1.0	-43.41	433.88	7.14	-36.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020274479	0	50	-1.0	-43.87	419.66	6.22	-37.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020274479	1	50	-1.0	-43.89	419.73	6.25	-37.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020274480	0	43	-1.0	-42.32	377.66	6.81	-35.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020274480	1	43	-1.0	-42.33	377.72	6.84	-35.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020274481	0	54	-1.0	-42.06	431.97	5.63	-36.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020274481	1	54	-1.0	-42.06	432.03	5.65	-36.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020274482	0	51	-1.0	-44.84	410.48	4.85	-39.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020274482	1	51	-1.0	-44.84	410.54	4.87	-39.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020274483	0	51	-1.0	-49.06	414.05	3.75	-45.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020274483	1	51	-1.0	-49.13	414.11	3.77	-45.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020274484	0	41	-1.0	-43.09	350.12	4.87	-38.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020274484	1	41	-1.0	-43.09	350.18	4.89	-38.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020274485	0	38	-1.0	-46.34	322.99	4.18	-42.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020274485	1	38	-1.0	-46.36	323.06	4.20	-42.16
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020274486	0	45	-1.0	-44.68	378.63	6.87	-37.81
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020274486	1	45	-1.0	-44.66	378.65	6.86	-37.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020274487	0	53	-1.0	-40.03	420.55	6.06	-33.97
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020274487	1	53	-1.0	-40.03	420.61	6.08	-33.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020274488	0	50	-1.0	-41.25	399.05	5.28	-35.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020274488	1	50	-1.0	-41.23	399.11	5.30	-35.93
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020274489	0	58	-1.0	-39.24	445.88	8.66	-30.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020274489	1	58	-1.0	-39.27	445.94	8.67	-30.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020274490	0	55	-1.0	-42.36	424.84	7.88	-34.48
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020274490	1	55	-1.0	-42.35	424.90	7.90	-34.45
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020274491	0	55	-1.0	-38.87	423.88	7.62	-31.25
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020274491	1	55	-1.0	-38.88	423.93	7.63	-31.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020274492	0	52	-1.0	-41.09	401.93	7.01	-34.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020274492	1	52	-1.0	-41.04	401.98	7.03	-34.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020274493	0	53	-1.0	-38.91	421.21	5.84	-33.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020274493	1	53	-1.0	-38.89	421.26	5.86	-33.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020274494	0	50	-1.0	-42.35	394.82	5.10	-37.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020274494	1	50	-1.0	-42.38	394.88	5.12	-37.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020274495	0	43	-1.0	-40.64	366.59	4.84	-35.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020274495	1	43	-1.0	-40.66	366.65	4.86	-35.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020274496	0	40	-1.0	-43.60	338.39	4.19	-39.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020274496	1	40	-1.0	-43.50	338.34	4.17	-39.33
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=COC=C1	REAL300020274497	0	47	-1.0	-42.33	383.00	6.88	-35.45
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=COC=C1	REAL300020274497	1	47	-1.0	-42.36	383.03	6.87	-35.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020274498	0	55	0.0	-61.02	415.53	6.43	-54.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020274498	1	55	0.0	-61.08	415.59	6.45	-54.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020274499	0	52	0.0	-58.45	389.63	5.74	-52.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020274499	1	52	0.0	-58.47	389.69	5.75	-52.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020274500	0	51	-1.0	-43.39	421.20	4.57	-38.82
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020274500	1	51	-1.0	-43.37	421.26	4.59	-38.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020274501	0	48	-1.0	-44.64	399.96	3.79	-40.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020274501	1	48	-1.0	-44.61	400.01	3.81	-40.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020274502	0	51	-1.0	-42.38	421.21	4.58	-37.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020274502	1	51	-1.0	-42.35	421.27	4.59	-37.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020274503	0	48	-1.0	-43.55	399.71	3.78	-39.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020274503	1	48	-1.0	-43.55	399.77	3.81	-39.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020274504	0	48	-1.0	-44.11	405.18	2.92	-41.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020274504	1	48	-1.0	-44.10	405.24	2.95	-41.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020274505	0	49	-1.0	-42.15	413.05	7.73	-34.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020274505	1	49	-1.0	-42.16	413.11	7.74	-34.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020274506	0	46	-1.0	-44.00	391.48	6.95	-37.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020274506	1	46	-1.0	-43.98	391.54	6.98	-37.00
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020274507	0	48	-1.0	-39.42	371.43	6.13	-33.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020274507	1	48	-1.0	-39.41	371.49	6.15	-33.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020274508	0	45	-1.0	-41.41	358.70	5.40	-36.01
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020274508	1	45	-1.0	-41.43	358.76	5.42	-36.01
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020274509	0	52	-1.0	-41.56	402.94	7.24	-34.32
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020274509	1	52	-1.0	-41.56	402.98	7.23	-34.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020274510	0	50	-1.0	-41.43	394.85	5.19	-36.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020274510	1	50	-1.0	-41.44	394.90	5.21	-36.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020274511	0	47	-1.0	-42.54	375.51	4.37	-38.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020274511	1	47	-1.0	-42.54	375.56	4.40	-38.14
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCCO1	REAL300020274512	0	54	-1.0	-42.67	418.82	7.11	-35.56
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCCO1	REAL300020274512	1	54	-1.0	-42.67	418.85	7.09	-35.58
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020274513	0	47	-1.0	-41.08	391.85	3.06	-38.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020274513	1	47	-1.0	-41.05	391.91	3.07	-37.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020274514	0	44	-1.0	-42.70	370.19	2.28	-40.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020274514	1	44	-1.0	-42.73	370.25	2.31	-40.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020274515	0	50	-1.0	-46.40	413.18	3.75	-42.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020274515	1	50	-1.0	-46.38	413.24	3.76	-42.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020274516	0	47	-1.0	-48.97	394.50	2.88	-46.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020274516	1	47	-1.0	-48.96	394.56	2.89	-46.07
CCCCCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274517	0	60	-1.0	-39.79	469.20	9.47	-30.32
CCCCCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274517	1	60	-1.0	-39.83	469.26	9.48	-30.35
CCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274518	0	57	-1.0	-41.21	454.99	8.58	-32.63
CCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274518	1	57	-1.0	-41.21	455.05	8.60	-32.61
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020274519	0	46	-1.0	-40.76	379.92	5.75	-35.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020274519	1	46	-1.0	-40.76	379.98	5.76	-35.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020274520	0	43	-1.0	-43.47	358.47	4.99	-38.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020274520	1	43	-1.0	-43.46	358.42	4.96	-38.50
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020274521	0	50	-1.0	-42.11	404.73	7.69	-34.42
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020274521	1	50	-1.0	-42.10	404.75	7.68	-34.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020274522	0	56	-1.0	-39.27	433.52	6.38	-32.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020274522	1	56	-1.0	-39.32	433.58	6.39	-32.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020274523	0	53	-1.0	-42.38	414.16	5.68	-36.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020274523	1	53	-1.0	-42.36	414.21	5.70	-36.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020274524	0	58	-1.0	-39.25	461.45	9.13	-30.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020274524	1	58	-1.0	-39.22	461.51	9.15	-30.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020274525	0	55	-1.0	-41.65	439.62	8.41	-33.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020274525	1	55	-1.0	-41.69	439.68	8.43	-33.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020274526	0	46	-1.0	-39.76	385.06	7.03	-32.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020274526	1	46	-1.0	-39.74	385.11	7.05	-32.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020274527	0	43	-1.0	-41.04	369.88	6.18	-34.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020274527	1	43	-1.0	-41.05	369.82	6.15	-34.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020274528	0	49	-1.0	-40.12	396.13	7.55	-32.57
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020274528	1	49	-1.0	-40.12	396.19	7.57	-32.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020274529	0	46	-1.0	-43.33	376.10	6.84	-36.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020274529	1	46	-1.0	-43.29	376.04	6.82	-36.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020274530	0	47	-1.0	-44.75	402.67	5.67	-39.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020274530	1	47	-1.0	-44.75	402.71	5.69	-39.06
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020274531	0	55	-1.0	-39.23	445.47	8.74	-30.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020274531	1	55	-1.0	-39.27	445.53	8.75	-30.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020274532	0	52	-1.0	-41.74	423.64	8.02	-33.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020274532	1	52	-1.0	-41.73	423.70	8.04	-33.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020274533	0	55	-1.0	-42.02	440.69	6.64	-35.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020274533	1	55	-1.0	-42.02	440.74	6.67	-35.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020274534	0	46	-1.0	-39.47	395.37	7.48	-31.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020274534	1	46	-1.0	-39.52	395.42	7.50	-32.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020274535	0	43	-1.0	-40.69	380.13	6.60	-34.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020274535	1	43	-1.0	-40.74	380.20	6.63	-34.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020274536	0	54	-1.0	-41.97	433.84	7.50	-34.47
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020274536	1	54	-1.0	-41.94	433.89	7.51	-34.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020274537	0	51	-1.0	-45.24	412.02	6.87	-38.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020274537	1	51	-1.0	-45.25	412.08	6.88	-38.37
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020274538	0	52	0.0	-62.33	402.67	6.41	-55.92
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020274538	1	52	0.0	-64.10	395.36	6.46	-57.64
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020274538	1	51	-1.0	-39.31	388.81	3.63	-35.68
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020274538	1	51	-1.0	-39.29	388.87	3.64	-35.65
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020274539	0	49	0.0	-60.11	377.67	5.48	-54.63
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020274539	1	49	0.0	-58.94	369.42	5.72	-53.22
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020274539	1	49	0.0	-60.12	377.62	5.46	-54.66
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020274539	1	49	0.0	-58.91	369.36	5.71	-53.20
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1C	REAL300020274539	1	48	-1.0	-42.37	375.55	3.33	-39.04
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1C	REAL300020274539	1	48	-1.0	-42.38	375.61	3.36	-39.02
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1C	REAL300020274540	0	56	0.0	-67.00	429.48	8.37	-58.63
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1C	REAL300020274540	1	56	0.0	-67.49	426.82	8.36	-59.13
CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1C	REAL300020274540	1	55	-1.0	-40.61	420.75	5.74	-34.87
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020274541	0	54	-1.0	-48.75	425.89	5.90	-42.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020274541	1	54	-1.0	-48.72	425.95	5.92	-42.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020274542	0	51	-1.0	-51.57	404.05	5.30	-46.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020274542	1	51	-1.0	-51.59	404.11	5.32	-46.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020274543	0	50	-1.0	-40.79	400.01	4.99	-35.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020274543	1	50	-1.0	-40.81	400.07	5.00	-35.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020274544	0	47	-1.0	-41.40	363.69	4.57	-36.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020274544	1	47	-1.0	-41.40	363.75	4.58	-36.82
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCOCC1	REAL300020274545	0	54	-1.0	-42.77	417.56	7.10	-35.67
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCOCC1	REAL300020274545	1	54	-1.0	-42.75	417.59	7.10	-35.65
C=C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274546	0	44	-1.0	-39.25	358.64	5.52	-33.73
C=C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274546	1	44	-1.0	-39.22	358.70	5.54	-33.68
C=C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274547	0	41	-1.0	-41.62	336.73	4.95	-36.67
C=C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274547	1	41	-1.0	-41.59	336.68	4.93	-36.66
C=C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020274548	0	48	-1.0	-40.67	386.01	7.81	-32.86
C=C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020274548	1	48	-1.0	-40.64	386.05	7.80	-32.84
CCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274549	0	48	-1.0	-39.58	372.92	6.17	-33.41
CCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274549	1	48	-1.0	-39.52	372.97	6.18	-33.34
CCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274550	0	45	-1.0	-41.22	364.03	5.46	-35.76
CCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274550	1	45	-1.0	-41.18	364.09	5.48	-35.70
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274551	0	52	-1.0	-40.08	413.86	8.24	-31.84
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274551	1	52	-1.0	-39.99	413.90	8.23	-31.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020274552	0	47	-1.0	-42.98	387.52	6.13	-36.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020274552	1	47	-1.0	-42.96	387.58	6.14	-36.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020274553	0	44	-1.0	-45.16	363.25	5.43	-39.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020274553	1	44	-1.0	-45.17	363.32	5.46	-39.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020274554	0	50	-1.0	-42.05	404.15	7.86	-34.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020274554	1	50	-1.0	-42.08	404.21	7.87	-34.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020274555	0	47	-1.0	-45.20	383.68	7.14	-38.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020274555	1	47	-1.0	-45.15	383.74	7.16	-37.99
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020274556	0	50	-1.0	-40.45	413.32	8.05	-32.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020274556	1	50	-1.0	-40.49	413.38	8.06	-32.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020274557	0	47	-1.0	-42.38	387.34	7.37	-35.01
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020274557	1	47	-1.0	-42.43	387.40	7.39	-35.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020274558	0	54	-1.0	-43.43	430.28	7.42	-36.01
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020274558	1	54	-1.0	-43.42	430.33	7.44	-35.98
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020274559	0	55	-1.0	-38.88	414.87	7.09	-31.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020274559	1	55	-1.0	-38.86	414.93	7.10	-31.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020274560	0	52	-1.0	-41.66	397.06	6.42	-35.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020274560	1	52	-1.0	-41.64	397.11	6.44	-35.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020274561	0	56	-1.0	-42.97	443.84	9.37	-33.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020274561	1	56	-1.0	-42.92	443.89	9.39	-33.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020274562	0	49	-1.0	-42.21	413.44	6.00	-36.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020274562	1	49	-1.0	-42.19	413.41	6.06	-36.13
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1	REAL300020274563	0	43	-1.0	-40.36	336.18	4.88	-35.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1	REAL300020274563	1	43	-1.0	-40.38	336.24	4.89	-35.49
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1	REAL300020274564	0	47	-1.0	-41.31	373.06	7.20	-34.11
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1	REAL300020274564	1	47	-1.0	-41.27	373.08	7.19	-34.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020274565	0	50	-1.0	-40.27	377.20	6.47	-33.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020274565	1	50	-1.0	-40.27	377.25	6.49	-33.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020274566	0	47	-1.0	-41.73	355.07	5.94	-35.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020274566	1	47	-1.0	-41.73	355.11	5.95	-35.78
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020274567	0	54	-1.0	-41.30	409.66	8.59	-32.71
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020274567	1	54	-1.0	-41.29	409.69	8.58	-32.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020274568	0	50	-1.0	-39.37	399.86	4.79	-34.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020274568	1	50	-1.0	-39.36	399.92	4.80	-34.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020274569	0	47	-1.0	-41.80	382.07	4.12	-37.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020274569	1	47	-1.0	-41.84	382.13	4.14	-37.70
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020274570	0	54	-1.0	-40.40	431.88	6.89	-33.51
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020274570	1	54	-1.0	-40.35	431.92	6.88	-33.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020274571	0	55	-1.0	-42.03	437.70	7.19	-34.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020274571	1	55	-1.0	-42.00	437.75	7.20	-34.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020274572	0	53	-1.0	-44.55	418.03	5.52	-39.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020274572	1	53	-1.0	-44.52	418.09	5.53	-38.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020274573	0	50	-1.0	-46.14	390.55	4.73	-41.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020274573	1	50	-1.0	-46.10	390.61	4.75	-41.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020274574	0	52	-1.0	-42.96	416.12	7.10	-35.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020274574	1	52	-1.0	-42.99	416.18	7.11	-35.88
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020274575	0	46	-1.0	-52.63	387.23	1.87	-50.76
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020274575	1	46	-1.0	-52.63	387.28	1.89	-50.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020274576	0	43	-1.0	-54.44	368.88	1.18	-53.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020274576	1	43	-1.0	-54.46	368.93	1.20	-53.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020274577	0	47	-1.0	-42.97	387.81	6.00	-36.97
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020274577	1	47	-1.0	-42.95	387.87	6.01	-36.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020274578	0	44	-1.0	-45.34	366.34	5.21	-40.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020274578	1	44	-1.0	-45.36	366.40	5.23	-40.13
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020274579	0	51	-1.0	-45.18	410.11	8.14	-37.04
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020274579	1	51	-1.0	-45.17	410.13	8.14	-37.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020274580	0	48	-1.0	-40.00	386.21	4.93	-35.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020274580	1	48	-1.0	-40.05	386.27	4.95	-35.10
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020274581	0	45	-1.0	-41.88	365.29	3.90	-37.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020274581	1	45	-1.0	-41.92	365.35	3.92	-38.00
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020274582	0	52	-1.0	-40.96	409.98	6.74	-34.22
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020274582	1	52	-1.0	-40.95	410.08	6.74	-34.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020274583	0	47	-1.0	-43.49	397.27	5.05	-38.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020274583	1	47	-1.0	-43.47	397.22	5.03	-38.44
CCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020274584	0	50	-1.0	-39.85	394.62	5.04	-34.81
CCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020274584	1	50	-1.0	-39.91	394.68	5.06	-34.85
CCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020274585	0	47	-1.0	-41.97	373.12	4.26	-37.71
CCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020274585	1	47	-1.0	-41.97	373.18	4.28	-37.69
CCC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CCO1	REAL300020274586	0	54	-1.0	-41.13	416.87	7.19	-33.94
CCC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CCO1	REAL300020274586	1	54	-1.0	-41.18	416.92	7.19	-33.99
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020274587	0	49	-1.0	-49.51	404.85	2.66	-46.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020274587	1	49	-1.0	-49.48	404.90	2.67	-46.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020274588	0	46	-1.0	-53.67	384.49	1.91	-51.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020274588	1	46	-1.0	-53.66	384.55	1.93	-51.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020274589	0	54	-1.0	-40.59	433.21	4.60	-35.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020274589	1	54	-1.0	-40.60	433.27	4.62	-35.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020274590	0	51	-1.0	-42.65	416.10	3.71	-38.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020274590	1	51	-1.0	-42.65	416.15	3.75	-38.90
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274591	0	48	-1.0	-53.24	403.81	2.44	-50.80
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274591	1	48	-1.0	-53.22	403.87	2.45	-50.77
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274592	0	45	-1.0	-53.22	389.60	1.55	-51.67
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274592	1	45	-1.0	-53.26	389.66	1.57	-51.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020274593	0	48	-1.0	-42.46	387.37	4.46	-38.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020274593	1	48	-1.0	-42.44	387.43	4.48	-37.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020274594	0	45	-1.0	-45.11	365.57	3.68	-41.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020274594	1	45	-1.0	-45.08	365.63	3.71	-41.37
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020274595	0	52	-1.0	-43.15	415.76	6.49	-36.66
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020274595	1	52	-1.0	-43.19	415.80	6.48	-36.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020274596	0	48	-1.0	-41.14	412.45	5.66	-35.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020274596	1	48	-1.0	-41.19	412.51	5.68	-35.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020274597	0	45	-1.0	-43.74	389.09	5.02	-38.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020274597	1	45	-1.0	-43.71	389.14	5.04	-38.67
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020274598	0	46	-1.0	-45.58	367.50	3.11	-42.47
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020274598	1	46	-1.0	-45.61	367.55	3.13	-42.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020274599	0	43	-1.0	-45.70	346.01	2.33	-43.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020274599	1	43	-1.0	-45.79	346.06	2.35	-43.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020274600	0	46	-1.0	-40.27	382.92	6.05	-34.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020274600	1	46	-1.0	-40.26	382.98	6.06	-34.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020274601	0	43	-1.0	-43.46	364.58	5.36	-38.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020274601	1	43	-1.0	-43.51	364.63	5.39	-38.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020274602	0	50	-1.0	-40.68	417.96	6.98	-33.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020274602	1	50	-1.0	-40.69	418.02	6.99	-33.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020274603	0	47	-1.0	-44.25	389.33	6.42	-37.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020274603	1	47	-1.0	-44.22	389.27	6.39	-37.83
COCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274604	0	54	-1.0	-49.00	437.96	2.63	-46.37
COCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274604	1	54	-1.0	-49.00	438.01	2.65	-46.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020274605	0	54	-1.0	-45.65	433.69	3.53	-42.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020274605	1	54	-1.0	-45.67	433.75	3.56	-42.11
CCNC(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274606	0	55	-1.0	-47.19	439.98	2.01	-45.18
CCNC(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274606	1	55	-1.0	-47.20	440.03	2.02	-45.18
CCNC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274607	0	52	-1.0	-51.11	421.88	1.30	-49.81
CCNC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274607	1	52	-1.0	-51.12	421.93	1.32	-49.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020274608	0	50	-1.0	-43.62	408.84	3.73	-39.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020274608	1	50	-1.0	-43.61	408.90	3.75	-39.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020274609	0	47	-1.0	-45.55	388.15	2.76	-42.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020274609	1	47	-1.0	-45.60	388.21	2.79	-42.81
CCOC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274610	0	54	-1.0	-41.76	438.60	3.81	-37.95
CCOC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274610	1	54	-1.0	-41.80	438.66	3.82	-37.98
CCOC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274611	0	51	-1.0	-43.64	420.85	3.14	-40.50
CCOC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274611	1	51	-1.0	-43.62	420.91	3.16	-40.46
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020274612	0	49	-1.0	-41.21	394.87	7.63	-33.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020274612	1	49	-1.0	-41.19	394.92	7.65	-33.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020274613	0	46	-1.0	-42.72	385.91	6.92	-35.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020274613	1	46	-1.0	-42.70	385.96	6.94	-35.76
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020274614	0	59	0.0	-64.24	444.92	8.08	-56.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020274614	1	59	0.0	-64.25	444.87	8.06	-56.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020274615	0	56	0.0	-62.11	423.35	7.28	-54.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020274615	1	56	0.0	-62.12	423.40	7.30	-54.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020274616	0	55	-1.0	-42.71	435.14	6.54	-36.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020274616	1	55	-1.0	-42.72	435.20	6.56	-36.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020274617	0	50	-1.0	-48.55	417.00	6.29	-42.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020274617	1	50	-1.0	-48.53	417.06	6.32	-42.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020274618	0	56	0.0	-63.76	426.48	7.45	-56.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020274618	1	56	0.0	-63.74	426.54	7.47	-56.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020274619	0	53	0.0	-61.52	404.50	6.86	-54.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020274619	1	53	0.0	-61.56	404.56	6.88	-54.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020274620	0	59	0.0	-64.31	441.18	8.34	-55.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020274620	1	59	0.0	-64.31	441.23	8.36	-55.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020274621	0	52	0.0	-62.68	399.59	6.11	-56.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)CC1	REAL300020274621	1	51	-1.0	-39.45	397.62	3.80	-35.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020274621	1	51	-1.0	-39.47	397.67	3.81	-35.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020274622	0	49	0.0	-60.61	377.61	5.52	-55.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020274622	1	49	0.0	-60.62	377.55	5.50	-55.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)CC1	REAL300020274622	1	48	-1.0	-41.86	376.13	3.02	-38.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020274622	1	48	-1.0	-41.82	376.19	3.04	-38.78
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020274623	0	56	0.0	-67.29	426.29	7.95	-59.34
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)C)CC1	REAL300020274623	1	55	-1.0	-40.13	426.01	5.81	-34.32
COCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274624	0	43	-1.0	-41.78	352.06	3.10	-38.68
COCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274624	1	43	-1.0	-41.81	352.12	3.12	-38.69
COCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274625	0	47	-1.0	-41.27	387.77	5.00	-36.27
COCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274625	1	47	-1.0	-41.26	387.81	4.99	-36.27
CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274626	0	49	-1.0	-40.12	383.04	5.42	-34.70
CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274626	1	49	-1.0	-40.11	383.10	5.43	-34.68
CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274627	0	46	-1.0	-43.43	359.24	4.72	-38.71
CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274627	1	46	-1.0	-43.47	359.27	4.74	-38.73
CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274628	0	53	-1.0	-41.06	413.85	8.00	-33.06
CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274628	1	53	-1.0	-41.09	413.89	7.99	-33.10
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020274629	0	45	-1.0	-41.21	380.71	5.30	-35.91
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020274629	1	45	-1.0	-41.24	380.77	5.32	-35.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020274630	0	42	-1.0	-43.27	359.27	4.53	-38.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020274630	1	42	-1.0	-43.24	359.20	4.52	-38.72
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020274631	0	49	-1.0	-44.81	397.13	7.05	-37.76
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020274631	1	49	-1.0	-44.79	397.15	7.04	-37.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020274632	0	46	-1.0	-39.84	359.69	5.53	-34.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020274632	1	46	-1.0	-39.85	359.74	5.54	-34.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020274633	0	43	-1.0	-41.79	334.27	4.82	-36.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020274633	1	43	-1.0	-41.80	334.21	4.81	-36.99
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCC1	REAL300020274634	0	50	-1.0	-40.63	388.22	7.54	-33.09
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCC1	REAL300020274634	1	50	-1.0	-40.61	388.26	7.53	-33.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020274635	0	49	-1.0	-39.44	395.08	6.79	-32.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020274635	1	49	-1.0	-39.43	395.14	6.80	-32.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020274636	0	46	-1.0	-42.54	381.64	6.27	-36.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020274636	1	46	-1.0	-42.50	381.57	6.25	-36.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020274637	0	43	-1.0	-42.94	342.01	8.27	-34.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020274637	1	43	-1.0	-42.92	342.07	8.28	-34.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020274638	0	40	-1.0	-45.65	324.16	7.62	-38.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020274638	1	40	-1.0	-45.63	324.11	7.59	-38.04
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC=C1	REAL300020274639	0	47	-1.0	-42.94	390.11	9.26	-33.68
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC=C1	REAL300020274639	1	47	-1.0	-42.89	390.14	9.25	-33.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020274640	0	44	-1.0	-39.89	351.33	3.41	-36.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020274640	1	44	-1.0	-39.96	351.38	3.42	-36.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020274641	0	41	-1.0	-41.89	334.12	2.56	-39.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020274641	1	41	-1.0	-41.89	334.06	2.54	-39.35
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOCC1	REAL300020274642	0	48	-1.0	-41.21	376.77	5.66	-35.55
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOCC1	REAL300020274642	1	48	-1.0	-41.20	376.81	5.65	-35.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020274643	0	44	-1.0	-42.81	369.98	6.74	-36.07
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020274643	1	44	-1.0	-42.80	369.92	6.73	-36.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020274644	0	41	-1.0	-44.27	348.49	5.97	-38.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020274644	1	41	-1.0	-44.29	348.44	5.94	-38.35
COCCN1C(NC2=CC=C(OC)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020274645	0	48	-1.0	-43.95	398.53	8.67	-35.28
COCCN1C(NC2=CC=C(OC)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020274645	1	48	-1.0	-44.02	398.47	8.67	-35.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020274646	0	44	-1.0	-39.55	364.92	5.39	-34.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020274646	1	44	-1.0	-39.62	364.98	5.41	-34.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020274647	0	41	-1.0	-40.42	344.40	3.99	-36.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020274647	1	41	-1.0	-40.38	344.46	4.00	-36.38
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCSC1	REAL300020274648	0	48	-1.0	-40.91	392.47	7.40	-33.51
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCSC1	REAL300020274648	1	48	-1.0	-40.88	392.46	7.39	-33.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020274649	0	49	-1.0	-42.57	394.88	5.67	-36.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020274649	1	49	-1.0	-42.71	394.16	5.69	-37.02
CCNC(=O)N[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C[C@H]1OC	REAL300020274650	0	53	-1.0	-47.43	433.24	0.81	-46.62
CCNC(=O)N[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C[C@H]1OC	REAL300020274650	1	53	-1.0	-47.43	433.30	0.81	-46.62
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274651	0	55	0.0	-62.34	417.26	6.84	-55.50
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274651	1	55	0.0	-62.34	417.32	6.86	-55.48
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274652	0	52	0.0	-59.76	391.56	6.12	-53.64
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274652	1	52	0.0	-59.77	391.62	6.13	-53.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020274653	0	54	-1.0	-41.63	417.00	5.99	-35.64
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020274653	1	54	-1.0	-41.61	417.05	6.00	-35.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020274654	0	51	-1.0	-41.81	404.22	5.24	-36.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020274654	1	51	-1.0	-41.81	404.28	5.26	-36.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020274655	0	50	-1.0	-49.31	390.16	2.30	-47.01
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020274655	1	50	-1.0	-49.31	390.22	2.32	-46.99
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020274656	0	53	-1.0	-39.63	409.24	8.57	-31.06
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020274656	1	53	-1.0	-39.68	409.30	8.59	-31.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020274657	0	50	-1.0	-42.09	389.63	8.41	-33.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020274657	1	50	-1.0	-42.09	389.68	8.43	-33.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020274658	0	52	-1.0	-39.69	387.85	7.07	-32.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020274658	1	52	-1.0	-39.73	387.91	7.09	-32.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020274659	0	49	-1.0	-42.31	372.96	6.62	-35.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020274659	1	49	-1.0	-42.33	373.02	6.65	-35.68
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020274660	0	56	-1.0	-40.56	416.06	9.07	-31.49
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020274660	1	56	-1.0	-40.49	416.10	9.05	-31.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020274661	0	51	-1.0	-43.16	408.21	5.86	-37.30
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020274661	1	51	-1.0	-43.16	408.27	5.88	-37.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020274662	0	48	-1.0	-46.97	383.51	4.89	-42.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020274662	1	48	-1.0	-46.98	383.46	4.86	-42.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020274663	0	54	-1.0	-40.54	429.59	7.21	-33.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020274663	1	54	-1.0	-40.56	429.65	7.23	-33.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020274664	0	51	-1.0	-43.03	395.40	7.48	-35.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020274664	1	51	-1.0	-43.02	395.46	7.50	-35.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020274665	0	48	-1.0	-39.96	372.57	4.26	-35.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020274665	1	48	-1.0	-39.95	372.63	4.28	-35.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020274666	0	45	-1.0	-41.20	345.03	3.65	-37.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020274666	1	45	-1.0	-41.22	345.08	3.65	-37.57
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020274667	0	52	-1.0	-41.90	405.52	6.83	-35.07
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020274667	1	52	-1.0	-41.87	405.54	6.82	-35.05
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020274668	0	59	0.0	-62.37	442.69	8.42	-53.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020274668	1	59	0.0	-65.08	443.55	8.65	-56.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020274668	1	59	0.0	-62.34	442.75	8.43	-53.91
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020274668	1	59	0.0	-65.06	443.61	8.67	-56.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020274669	0	56	0.0	-64.86	412.07	7.08	-57.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020274669	1	56	0.0	-64.17	425.74	7.64	-56.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020274669	1	56	0.0	-64.89	412.12	7.10	-57.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020274669	1	56	0.0	-64.18	425.80	7.67	-56.51
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020274670	0	54	-1.0	-39.59	421.75	6.07	-33.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020274670	1	54	-1.0	-39.63	421.81	6.08	-33.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020274671	0	51	-1.0	-40.65	394.06	5.42	-35.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020274671	1	51	-1.0	-40.65	394.11	5.45	-35.20
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020274672	0	51	-1.0	-40.50	417.26	6.77	-33.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020274672	1	51	-1.0	-40.47	417.31	6.79	-33.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020274673	0	48	-1.0	-43.36	395.72	6.01	-37.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020274673	1	48	-1.0	-43.36	395.67	5.99	-37.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020274674	0	55	-1.0	-40.16	438.22	6.10	-34.06
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020274674	1	56	0.0	-68.41	441.74	8.51	-59.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020274674	1	55	-1.0	-40.16	438.28	6.12	-34.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020274675	0	52	-1.0	-42.82	421.52	5.59	-37.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020274675	1	53	0.0	-66.81	419.39	7.85	-58.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020274675	1	52	-1.0	-42.87	421.58	5.61	-37.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020274676	0	51	-1.0	-39.70	377.83	4.94	-34.76
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020274676	1	51	-1.0	-39.69	377.89	4.95	-34.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020274677	0	48	-1.0	-41.99	372.19	4.80	-37.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020274677	1	48	-1.0	-42.00	372.25	4.81	-37.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020274678	0	55	0.0	-61.87	415.07	6.92	-54.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020274678	1	55	0.0	-62.06	410.89	6.86	-55.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020274678	1	55	0.0	-61.89	415.12	6.93	-54.96
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020274678	1	55	0.0	-62.10	410.94	6.87	-55.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020274679	0	52	0.0	-61.16	389.66	6.23	-54.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020274679	1	52	0.0	-60.28	389.21	6.22	-54.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020274679	1	52	0.0	-61.18	389.71	6.25	-54.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020274679	1	52	0.0	-60.27	389.27	6.24	-54.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020274680	0	58	0.0	-62.76	411.21	7.39	-55.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020274680	1	58	0.0	-62.02	414.73	6.79	-55.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020274680	1	58	0.0	-62.73	411.27	7.41	-55.32
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020274680	1	58	0.0	-62.05	414.79	6.80	-55.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020274681	0	55	0.0	-60.53	389.13	6.85	-53.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020274681	1	55	0.0	-62.05	393.23	6.01	-56.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020274681	1	55	0.0	-60.56	389.19	6.87	-53.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020274681	1	55	0.0	-62.10	393.29	6.03	-56.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020274682	0	57	0.0	-65.40	426.33	5.69	-59.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020274682	1	57	0.0	-67.24	422.75	5.54	-61.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020274682	1	57	0.0	-65.40	426.38	5.72	-59.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020274682	1	57	0.0	-67.29	422.81	5.56	-61.73
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)OC	REAL300020274683	0	41	-1.0	-40.73	336.95	5.98	-34.75
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)OC	REAL300020274683	1	41	-1.0	-40.70	337.00	5.97	-34.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020274684	0	59	-1.0	-41.07	442.09	8.73	-32.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020274684	1	59	-1.0	-41.06	442.15	8.74	-32.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020274685	0	56	-1.0	-44.97	421.70	8.25	-36.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020274685	1	56	-1.0	-45.02	421.76	8.28	-36.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C)C1	REAL300020274686	0	47	-1.0	-40.48	373.60	4.25	-36.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C)C1	REAL300020274686	1	47	-1.0	-40.47	373.66	4.27	-36.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C)C1	REAL300020274687	0	44	-1.0	-41.96	346.39	3.75	-38.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C)C1	REAL300020274687	1	44	-1.0	-41.96	346.45	3.77	-38.19
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOC(C)C1	REAL300020274688	0	51	-1.0	-40.37	402.74	6.26	-34.11
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOC(C)C1	REAL300020274688	1	51	-1.0	-40.36	402.75	6.25	-34.11
CCC1C(=O)NCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274689	0	47	-1.0	-43.89	379.85	2.48	-41.41
CCC1C(=O)NCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274689	1	47	-1.0	-43.88	379.91	2.50	-41.38
CCC1C(=O)NCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274690	0	44	-1.0	-43.46	355.57	2.04	-41.42
CCC1C(=O)NCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274690	1	44	-1.0	-43.48	355.51	2.02	-41.46
CCC1C(=O)NCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274691	0	51	-1.0	-45.07	406.73	4.31	-40.76
CCC1C(=O)NCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274691	1	51	-1.0	-45.07	406.76	4.30	-40.77
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274692	0	47	-1.0	-49.40	371.29	2.01	-47.39
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274692	1	47	-1.0	-49.41	371.34	2.02	-47.39
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274693	0	44	-1.0	-57.57	358.54	1.70	-55.87
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274693	1	44	-1.0	-57.60	358.49	1.67	-55.93
CNC(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274694	0	51	-1.0	-50.16	412.38	4.65	-45.51
CNC(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274694	1	51	-1.0	-50.14	412.45	4.64	-45.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020274695	0	54	-1.0	-44.78	409.45	8.49	-36.29
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020274695	1	54	-1.0	-44.79	409.50	8.52	-36.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(OC)C1	REAL300020274696	0	44	-1.0	-41.26	356.88	2.79	-38.47
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(OC)C1	REAL300020274696	1	44	-1.0	-41.24	356.94	2.80	-38.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(OC)C1	REAL300020274697	0	41	-1.0	-43.30	334.79	2.25	-41.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(OC)C1	REAL300020274697	1	41	-1.0	-43.28	334.84	2.28	-41.00
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(OC)C1	REAL300020274698	0	48	-1.0	-42.13	389.97	4.93	-37.20
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(OC)C1	REAL300020274698	1	48	-1.0	-42.16	390.01	4.92	-37.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C	REAL300020274699	0	46	-1.0	-40.28	361.10	4.79	-35.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C	REAL300020274699	1	46	-1.0	-40.28	361.16	4.80	-35.48
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C	REAL300020274700	0	43	-1.0	-42.30	338.77	4.41	-37.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C	REAL300020274700	1	43	-1.0	-42.31	338.71	4.40	-37.91
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020274701	0	50	-1.0	-40.93	388.76	6.76	-34.17
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020274701	1	50	-1.0	-40.92	388.79	6.75	-34.17
CCC1CC(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274702	0	49	-1.0	-40.93	378.27	5.78	-35.15
CCC1CC(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274702	1	49	-1.0	-40.94	378.33	5.79	-35.15
CCC1CC(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274703	0	46	-1.0	-42.82	363.19	4.65	-38.17
CCC1CC(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274703	1	46	-1.0	-42.83	363.24	4.69	-38.14
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274704	0	53	-1.0	-41.68	405.89	7.74	-33.94
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274704	1	53	-1.0	-41.67	405.92	7.73	-33.94
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020274705	0	44	-1.0	-39.89	353.01	3.45	-36.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020274705	1	44	-1.0	-39.92	353.07	3.46	-36.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020274706	0	41	-1.0	-42.56	336.85	2.87	-39.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020274706	1	41	-1.0	-42.59	336.90	2.89	-39.70
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020274707	0	48	-1.0	-41.30	388.04	5.72	-35.58
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020274707	1	48	-1.0	-41.25	388.05	5.71	-35.54
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC(C)C	REAL300020274708	0	55	-1.0	-40.74	404.61	8.02	-32.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC(C)C	REAL300020274708	1	55	-1.0	-40.75	404.66	8.04	-32.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC(C)C	REAL300020274709	0	52	-1.0	-44.44	397.54	6.01	-38.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC(C)C	REAL300020274709	1	52	-1.0	-44.36	397.58	6.03	-38.33
CCCC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274710	0	55	-1.0	-40.19	421.04	6.44	-33.75
CCCC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274710	1	55	-1.0	-40.16	421.09	6.46	-33.70
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274711	0	52	-1.0	-41.99	399.15	5.87	-36.12
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274711	1	52	-1.0	-41.97	399.20	5.89	-36.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020274712	0	44	-1.0	-45.83	365.75	6.57	-39.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020274712	1	44	-1.0	-45.85	365.69	6.55	-39.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020274713	0	41	-1.0	-44.13	348.52	5.98	-38.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020274713	1	41	-1.0	-44.12	348.46	5.95	-38.17
COCCN1C(NC2=CC=CC(OC)=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020274714	0	48	-1.0	-46.94	398.75	8.66	-38.28
COCCN1C(NC2=CC=CC(OC)=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020274714	1	48	-1.0	-47.00	398.69	8.67	-38.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C)C=C1	REAL300020274715	0	40	-1.0	-44.12	343.17	6.32	-37.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C)C=C1	REAL300020274715	1	40	-1.0	-44.13	343.12	6.30	-37.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C)C=C1	REAL300020274716	0	37	-1.0	-46.16	321.73	5.55	-40.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C)C=C1	REAL300020274716	1	37	-1.0	-46.18	321.68	5.52	-40.66
COCCN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020274717	0	44	-1.0	-45.17	371.61	8.27	-36.90
COCCN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020274717	1	44	-1.0	-45.19	371.55	8.28	-36.91
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020274718	0	40	-1.0	-46.90	338.63	5.20	-41.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020274718	1	40	-1.0	-46.87	338.58	5.18	-41.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020274719	0	37	-1.0	-48.92	321.95	4.57	-44.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020274719	1	37	-1.0	-48.92	321.90	4.54	-44.38
COCCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020274720	0	44	-1.0	-48.10	371.80	7.29	-40.81
COCCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020274720	1	44	-1.0	-48.10	371.75	7.30	-40.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020274721	0	49	-1.0	-41.04	375.15	5.70	-35.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020274721	1	49	-1.0	-41.03	375.20	5.72	-35.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020274722	0	46	-1.0	-43.26	354.39	4.39	-38.87
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020274722	1	46	-1.0	-43.31	354.44	4.42	-38.89
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C(C)C	REAL300020274723	0	53	-1.0	-40.51	398.62	6.89	-33.62
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C(C)C	REAL300020274723	1	53	-1.0	-40.53	398.67	6.88	-33.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020274724	0	50	-1.0	-47.80	409.10	7.13	-40.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020274724	1	50	-1.0	-47.82	409.15	7.16	-40.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020274725	0	57	-1.0	-40.27	440.68	7.18	-33.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020274725	1	57	-1.0	-40.28	440.74	7.20	-33.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020274726	0	55	-1.0	-43.73	430.50	6.90	-36.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020274726	1	55	-1.0	-43.70	430.56	6.93	-36.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020274727	0	49	-1.0	-43.05	387.90	1.28	-41.77
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020274727	1	49	-1.0	-43.07	387.96	1.30	-41.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020274728	0	46	-1.0	-42.83	365.87	0.80	-42.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020274728	1	46	-1.0	-42.85	365.94	0.81	-42.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020274729	0	52	-1.0	-40.92	395.95	3.28	-37.64
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020274729	1	52	-1.0	-40.90	396.01	3.29	-37.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020274730	0	49	-1.0	-42.94	393.24	2.66	-40.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020274730	1	49	-1.0	-42.93	393.30	2.69	-40.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020274731	0	55	-1.0	-43.47	446.91	6.79	-36.68
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020274731	1	55	-1.0	-43.49	446.85	6.77	-36.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020274732	0	52	-1.0	-47.44	420.61	5.20	-42.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020274732	1	52	-1.0	-47.44	420.55	5.18	-42.26
CCC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)=C1	REAL300020274733	0	49	-1.0	-41.46	397.81	8.53	-32.93
CCC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)=C1	REAL300020274733	1	49	-1.0	-41.51	397.87	8.55	-32.96
CCC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)=C1	REAL300020274734	0	46	-1.0	-41.93	376.62	8.02	-33.91
CCC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)=C1	REAL300020274734	1	46	-1.0	-41.98	376.56	8.00	-33.98
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020274735	0	50	-1.0	-40.27	381.13	6.70	-33.57
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020274735	1	50	-1.0	-40.24	381.18	6.71	-33.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020274736	0	47	-1.0	-41.08	354.08	6.01	-35.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020274736	1	47	-1.0	-41.08	354.13	6.04	-35.04
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020274737	0	54	-1.0	-41.55	408.67	8.52	-33.03
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020274737	1	54	-1.0	-41.54	408.69	8.50	-33.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(OC)C1	REAL300020274738	0	47	-1.0	-43.45	370.30	3.91	-39.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(OC)C1	REAL300020274738	1	47	-1.0	-43.45	370.35	3.93	-39.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(OC)C1	REAL300020274739	0	44	-1.0	-44.38	354.69	2.93	-41.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(OC)C1	REAL300020274739	1	44	-1.0	-44.38	354.75	2.95	-41.43
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(OC)C1	REAL300020274740	0	51	-1.0	-44.09	398.65	5.88	-38.21
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(OC)C1	REAL300020274740	1	51	-1.0	-44.14	398.70	5.87	-38.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020274741	0	44	-1.0	-41.20	370.12	6.56	-34.64
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020274741	1	44	-1.0	-41.18	370.17	6.58	-34.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020274742	0	41	-1.0	-43.03	353.65	5.42	-37.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020274742	1	41	-1.0	-43.08	353.59	5.40	-37.68
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020274743	0	44	-1.0	-41.87	365.99	5.88	-35.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020274743	1	44	-1.0	-41.87	366.05	5.90	-35.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020274744	0	41	-1.0	-44.28	343.08	6.01	-38.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020274744	1	41	-1.0	-44.22	343.16	6.03	-38.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020274745	0	49	-1.0	-39.95	392.88	6.38	-33.57
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020274745	1	49	-1.0	-39.96	392.94	6.40	-33.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020274746	0	46	-1.0	-42.08	371.40	5.60	-36.48
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020274746	1	46	-1.0	-42.03	371.46	5.62	-36.41
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020274747	0	53	-1.0	-40.79	419.65	8.30	-32.49
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020274747	1	53	-1.0	-40.72	419.67	8.29	-32.43
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020274748	0	47	-1.0	-41.90	401.79	7.71	-34.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020274748	1	47	-1.0	-41.91	401.85	7.73	-34.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020274749	0	44	-1.0	-45.36	369.74	5.97	-39.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020274749	1	44	-1.0	-45.38	369.81	6.00	-39.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020274750	0	55	-1.0	-40.40	433.15	4.67	-35.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020274750	1	55	-1.0	-40.37	433.21	4.69	-35.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020274751	0	52	-1.0	-43.28	412.81	3.92	-39.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020274751	1	52	-1.0	-43.26	412.86	3.95	-39.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020274752	0	48	-1.0	-41.48	376.09	3.64	-37.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020274752	1	48	-1.0	-41.49	376.15	3.66	-37.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020274753	0	45	-1.0	-42.48	356.74	3.95	-38.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020274753	1	45	-1.0	-42.53	356.79	3.96	-38.57
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020274754	0	52	-1.0	-42.30	410.03	6.88	-35.42
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020274754	1	52	-1.0	-42.28	410.06	6.87	-35.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020274755	0	48	-1.0	-49.20	398.80	0.71	-48.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020274755	1	48	-1.0	-49.21	398.86	0.72	-48.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020274756	0	45	-1.0	-50.43	377.30	-0.08	-50.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020274756	1	45	-1.0	-50.36	377.36	-0.06	-50.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020274757	0	50	-1.0	-40.34	386.89	2.86	-37.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020274757	1	50	-1.0	-40.35	386.95	2.87	-37.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020274758	0	47	-1.0	-42.85	365.39	2.07	-40.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020274758	1	47	-1.0	-42.84	365.45	2.10	-40.74
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CO)C1C	REAL300020274759	0	54	-1.0	-41.93	404.28	4.80	-37.13
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CO)C1C	REAL300020274759	1	54	-1.0	-41.92	404.29	4.79	-37.13
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020274760	0	49	-1.0	-45.70	405.00	6.91	-38.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020274760	1	49	-1.0	-45.73	405.06	6.92	-38.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020274761	0	46	-1.0	-46.90	382.19	6.09	-40.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020274761	1	46	-1.0	-46.88	382.13	6.06	-40.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020274762	0	61	-1.0	-39.68	442.67	7.43	-32.25
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020274762	1	61	-1.0	-39.71	442.73	7.44	-32.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020274763	0	58	-1.0	-41.73	422.60	7.07	-34.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020274763	1	58	-1.0	-41.74	422.66	7.09	-34.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020274764	0	57	-1.0	-44.06	455.31	5.50	-38.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020274764	1	57	-1.0	-44.06	455.36	5.53	-38.53
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1CC(C)(C)C1	REAL300020274765	0	52	-1.0	-40.24	412.91	6.89	-33.35
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1CC(C)(C)C1	REAL300020274765	1	52	-1.0	-40.25	412.96	6.90	-33.35
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CC(C)(C)C1	REAL300020274766	0	49	-1.0	-43.03	391.35	6.10	-36.93
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CC(C)(C)C1	REAL300020274766	1	49	-1.0	-43.00	391.41	6.12	-36.88
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC)C1CC(C)(C)C1	REAL300020274767	0	56	-1.0	-40.99	439.73	8.65	-32.34
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC)C1CC(C)(C)C1	REAL300020274767	1	56	-1.0	-40.94	439.75	8.64	-32.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020274768	0	51	-1.0	-40.12	406.76	7.80	-32.32
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020274768	1	51	-1.0	-40.13	406.82	7.82	-32.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020274769	0	48	-1.0	-42.82	387.84	7.11	-35.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020274769	1	48	-1.0	-42.80	387.90	7.14	-35.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020274770	0	54	-1.0	-42.92	415.85	7.16	-35.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020274770	1	54	-1.0	-42.89	415.92	7.18	-35.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020274771	0	51	-1.0	-43.04	415.72	6.82	-36.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020274771	1	51	-1.0	-43.01	415.78	6.84	-36.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020274772	0	48	-1.0	-43.67	390.89	5.91	-37.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020274772	1	48	-1.0	-43.70	390.94	5.92	-37.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020274773	0	54	-1.0	-42.78	416.29	8.72	-34.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020274773	1	54	-1.0	-42.78	416.35	8.75	-34.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC1	REAL300020274774	0	46	-1.0	-39.01	365.22	5.89	-33.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC1	REAL300020274774	1	46	-1.0	-39.02	365.27	5.90	-33.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC1	REAL300020274775	0	43	-1.0	-41.89	352.83	4.50	-37.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC1	REAL300020274775	1	43	-1.0	-41.84	352.78	4.48	-37.36
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020274776	0	50	-1.0	-40.75	397.48	7.86	-32.89
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020274776	1	50	-1.0	-40.72	397.52	7.85	-32.87
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020274777	0	44	-1.0	-40.78	364.04	3.77	-37.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020274777	1	44	-1.0	-40.82	364.10	3.79	-37.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020274778	0	41	-1.0	-41.96	346.97	2.90	-39.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020274778	1	41	-1.0	-41.98	347.03	2.92	-39.06
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020274779	0	48	-1.0	-42.80	380.80	5.16	-37.64
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020274779	1	48	-1.0	-42.75	380.83	5.16	-37.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020274780	0	56	-1.0	-45.41	441.73	2.81	-42.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020274780	1	56	-1.0	-45.50	441.79	2.84	-42.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020274780	1	57	0.0	-62.39	438.70	5.15	-57.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020274781	0	56	0.0	-64.59	436.09	8.49	-56.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020274781	1	56	0.0	-63.75	437.04	8.46	-55.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020274781	1	55	-1.0	-43.48	434.82	6.26	-37.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020274781	1	55	-1.0	-43.45	434.88	6.28	-37.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020274782	0	50	-1.0	-45.50	387.94	7.00	-38.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020274782	1	50	-1.0	-45.48	388.00	7.03	-38.45
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020274783	0	54	-1.0	-56.34	408.18	5.78	-50.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020274783	1	54	-1.0	-56.35	408.23	5.81	-50.54
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020274784	0	50	-1.0	-39.57	398.82	7.08	-32.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020274784	1	50	-1.0	-39.57	398.88	7.09	-32.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020274785	0	47	-1.0	-41.81	372.94	6.43	-35.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020274785	1	47	-1.0	-41.80	373.00	6.44	-35.36
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020274786	0	54	-1.0	-40.58	423.95	9.02	-31.56
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020274786	1	54	-1.0	-40.55	423.98	9.01	-31.54
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020274787	0	52	-1.0	-39.85	423.61	8.05	-31.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020274787	1	52	-1.0	-39.84	423.67	8.06	-31.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020274788	0	49	-1.0	-42.37	401.89	7.31	-35.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020274788	1	49	-1.0	-42.37	401.84	7.29	-35.08
CNC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274789	0	52	-1.0	-47.43	424.50	2.21	-45.22
CNC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274789	1	52	-1.0	-47.53	424.56	2.23	-45.30
CNC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274790	0	49	-1.0	-48.58	399.86	1.55	-47.03
CNC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274790	1	49	-1.0	-48.55	399.91	1.57	-46.98
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020274791	0	48	-1.0	-41.52	402.22	5.94	-35.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020274791	1	48	-1.0	-41.51	402.28	5.96	-35.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020274792	0	45	-1.0	-44.23	380.79	5.17	-39.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020274792	1	45	-1.0	-44.26	380.73	5.15	-39.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020274793	0	55	-1.0	-40.34	410.33	7.21	-33.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020274793	1	55	-1.0	-40.33	410.39	7.23	-33.10
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020274794	0	52	-1.0	-42.76	388.18	6.68	-36.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020274794	1	52	-1.0	-42.74	388.24	6.70	-36.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020274795	0	47	-1.0	-43.86	408.94	5.93	-37.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020274795	1	47	-1.0	-43.91	409.00	5.96	-37.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020274796	0	52	-1.0	-45.71	416.78	6.69	-39.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020274796	1	52	-1.0	-45.69	416.84	6.70	-38.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020274797	0	49	-1.0	-45.19	394.32	5.85	-39.34
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020274797	1	49	-1.0	-45.16	394.38	5.86	-39.30
COCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274798	0	49	-1.0	-41.77	395.38	4.63	-37.14
COCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274798	1	49	-1.0	-41.79	395.44	4.65	-37.14
COCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274799	0	46	-1.0	-42.98	381.17	3.74	-39.24
COCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274799	1	46	-1.0	-42.96	381.23	3.77	-39.19
COCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274800	0	53	-1.0	-42.06	431.04	6.53	-35.53
COCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274800	1	53	-1.0	-42.04	431.08	6.52	-35.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020274801	0	54	-1.0	-38.90	427.60	6.46	-32.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020274801	1	54	-1.0	-38.90	427.66	6.48	-32.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020274802	0	51	-1.0	-41.51	405.30	6.05	-35.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020274802	1	51	-1.0	-41.50	405.36	6.07	-35.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020274803	0	47	-1.0	-41.99	387.23	4.23	-37.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020274803	1	47	-1.0	-42.03	387.29	4.25	-37.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020274804	0	58	-1.0	-39.81	402.35	8.60	-31.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020274804	1	58	-1.0	-39.78	402.41	8.62	-31.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020274805	0	55	-1.0	-45.32	384.66	7.98	-37.34
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020274805	1	55	-1.0	-45.34	384.73	8.01	-37.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020274806	0	49	-1.0	-39.71	380.34	5.92	-33.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020274806	1	49	-1.0	-39.71	380.40	5.94	-33.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020274807	0	46	-1.0	-42.63	366.57	5.44	-37.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020274807	1	46	-1.0	-42.65	366.62	5.46	-37.19
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1C	REAL300020274808	0	53	-1.0	-40.53	412.60	8.03	-32.50
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1C	REAL300020274808	1	53	-1.0	-40.49	412.61	8.01	-32.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020274809	0	49	-1.0	-39.59	400.91	6.64	-32.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020274809	1	49	-1.0	-39.65	400.96	6.65	-33.00
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020274810	0	46	-1.0	-41.30	382.81	5.98	-35.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020274810	1	46	-1.0	-41.30	382.86	6.01	-35.29
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC(CC)O1	REAL300020274811	0	53	-1.0	-39.07	416.21	5.95	-33.12
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC(CC)O1	REAL300020274811	1	53	-1.0	-39.04	416.26	5.97	-33.07
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC(CC)O1	REAL300020274812	0	50	-1.0	-41.53	398.49	5.28	-36.25
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC(CC)O1	REAL300020274812	1	50	-1.0	-41.56	398.53	5.31	-36.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020274813	0	53	-1.0	-41.34	432.88	5.47	-35.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020274813	1	53	-1.0	-41.31	432.93	5.49	-35.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020274814	0	50	-1.0	-44.58	423.50	4.73	-39.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020274814	1	50	-1.0	-44.53	423.55	4.76	-39.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020274815	0	50	-1.0	-42.03	397.69	7.08	-34.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020274815	1	50	-1.0	-42.05	397.75	7.10	-34.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020274816	0	47	-1.0	-44.91	377.13	6.27	-38.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020274816	1	47	-1.0	-44.87	377.07	6.25	-38.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020274817	0	47	-1.0	-46.94	383.55	2.97	-43.97
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020274817	1	47	-1.0	-46.89	383.60	2.99	-43.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020274818	0	44	-1.0	-49.78	361.76	2.19	-47.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020274818	1	44	-1.0	-49.75	361.82	2.22	-47.53
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020274819	0	51	-1.0	-47.78	412.03	4.95	-42.83
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020274819	1	51	-1.0	-47.70	412.05	4.94	-42.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020274820	0	53	-1.0	-40.33	399.89	7.38	-32.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020274820	1	53	-1.0	-40.38	399.95	7.40	-32.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020274821	0	50	-1.0	-42.87	381.55	7.04	-35.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020274821	1	50	-1.0	-42.86	381.61	7.06	-35.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020274822	0	47	-1.0	-43.75	373.56	9.45	-34.30
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020274822	1	47	-1.0	-43.73	373.61	9.47	-34.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020274823	0	44	-1.0	-46.78	351.92	8.87	-37.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020274823	1	44	-1.0	-46.79	351.86	8.86	-37.93
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274824	0	53	-1.0	-44.15	434.14	7.10	-37.05
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274824	1	53	-1.0	-44.17	434.19	7.13	-37.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020274825	0	59	0.0	-62.37	443.48	5.52	-56.85
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020274825	1	58	-1.0	-39.66	445.35	3.52	-36.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020274825	1	58	-1.0	-39.70	445.41	3.53	-36.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020274826	0	56	0.0	-59.67	421.30	4.95	-54.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020274826	1	55	-1.0	-42.02	423.88	2.74	-39.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020274826	1	55	-1.0	-42.04	423.94	2.76	-39.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020274827	0	49	-1.0	-46.00	399.50	4.55	-41.45
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020274827	1	49	-1.0	-46.02	399.44	4.54	-41.48
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020274828	0	46	-1.0	-46.31	381.66	3.90	-42.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020274828	1	46	-1.0	-46.32	381.61	3.88	-42.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020274829	0	49	-1.0	-39.86	385.71	5.48	-34.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020274829	1	49	-1.0	-39.85	385.77	5.50	-34.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020274830	0	46	-1.0	-43.39	353.05	4.28	-39.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020274830	1	46	-1.0	-43.33	353.10	4.30	-39.03
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020274831	0	53	-1.0	-40.62	417.83	7.60	-33.02
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020274831	1	53	-1.0	-40.53	417.88	7.59	-32.94
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020274832	0	50	-1.0	-43.67	422.54	7.16	-36.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020274832	1	50	-1.0	-43.69	422.59	7.17	-36.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020274833	0	47	-1.0	-44.33	398.28	6.23	-38.10
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020274833	1	47	-1.0	-44.36	398.22	6.20	-38.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020274834	0	56	-1.0	-41.27	444.91	9.57	-31.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020274834	1	56	-1.0	-41.29	444.97	9.59	-31.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020274835	0	53	-1.0	-44.84	418.98	8.59	-36.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020274835	1	53	-1.0	-44.82	418.91	8.56	-36.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020274836	0	49	-1.0	-40.35	391.62	5.13	-35.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020274836	1	49	-1.0	-40.30	391.68	5.14	-35.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020274837	0	46	-1.0	-41.63	379.13	4.35	-37.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020274837	1	46	-1.0	-41.61	379.19	4.37	-37.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020274838	0	48	-1.0	-41.65	383.45	4.48	-37.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020274838	1	48	-1.0	-41.63	383.51	4.49	-37.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020274839	0	45	-1.0	-44.40	361.95	3.69	-40.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020274839	1	45	-1.0	-44.42	362.01	3.72	-40.70
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020274840	0	52	-1.0	-42.34	406.31	6.62	-35.72
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020274840	1	52	-1.0	-42.33	406.34	6.61	-35.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020274841	0	54	-1.0	-41.49	426.18	6.41	-35.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020274841	1	54	-1.0	-41.50	426.24	6.42	-35.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020274842	0	51	-1.0	-43.97	406.67	5.43	-38.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020274842	1	51	-1.0	-43.96	406.73	5.45	-38.51
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020274843	0	53	-1.0	-42.40	423.58	5.77	-36.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020274843	1	53	-1.0	-42.38	423.63	5.79	-36.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020274844	0	50	-1.0	-41.86	401.13	5.43	-36.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020274844	1	50	-1.0	-41.87	401.18	5.45	-36.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020274845	0	57	-1.0	-40.80	434.53	6.51	-34.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020274845	1	57	-1.0	-40.83	434.59	6.52	-34.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020274846	0	54	-1.0	-43.35	412.56	5.82	-37.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020274846	1	54	-1.0	-43.40	412.61	5.85	-37.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020274847	0	59	-1.0	-40.57	428.95	8.09	-32.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020274847	1	59	-1.0	-40.54	429.01	8.11	-32.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020274848	0	56	-1.0	-41.24	401.92	7.40	-33.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020274848	1	56	-1.0	-41.28	401.98	7.42	-33.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020274849	0	54	-1.0	-40.81	405.28	5.21	-35.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020274849	1	54	-1.0	-40.80	405.34	5.22	-35.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020274850	0	51	-1.0	-43.35	391.09	4.69	-38.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020274850	1	51	-1.0	-43.38	391.15	4.72	-38.66
C#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274851	0	45	-1.0	-39.72	376.29	6.30	-33.42
C#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274851	1	45	-1.0	-39.69	376.35	6.31	-33.38
C#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274852	0	42	-1.0	-41.93	354.78	5.51	-36.42
C#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274852	1	42	-1.0	-41.94	354.84	5.54	-36.40
C#CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CC1	REAL300020274853	0	49	-1.0	-40.68	403.23	8.26	-32.42
C#CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1	REAL300020274853	1	49	-1.0	-40.63	403.26	8.26	-32.37
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274854	0	48	-1.0	-39.80	392.61	6.88	-32.92
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274854	1	48	-1.0	-39.81	392.67	6.90	-32.91
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274855	0	45	-1.0	-42.26	374.84	6.22	-36.04
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274855	1	45	-1.0	-42.27	374.90	6.25	-36.02
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020274856	0	52	-1.0	-40.78	424.65	8.99	-31.79
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020274856	1	52	-1.0	-40.73	424.69	8.98	-31.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020274857	0	55	-1.0	-41.94	437.22	6.66	-35.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020274857	1	55	-1.0	-41.95	437.27	6.68	-35.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020274858	0	52	-1.0	-44.37	415.46	6.06	-38.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020274858	1	52	-1.0	-44.38	415.50	6.07	-38.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020274859	0	50	-1.0	-40.86	392.16	4.98	-35.88
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020274859	1	50	-1.0	-40.87	392.22	5.00	-35.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020274860	0	47	-1.0	-44.47	373.92	4.55	-39.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020274860	1	47	-1.0	-44.49	373.97	4.57	-39.92
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020274861	0	54	-1.0	-42.09	424.69	7.12	-34.97
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020274861	1	54	-1.0	-42.06	424.71	7.11	-34.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020274862	0	50	-1.0	-43.28	401.96	6.06	-37.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020274862	1	50	-1.0	-43.26	401.90	6.04	-37.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020274863	0	47	-1.0	-44.07	379.85	5.52	-38.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020274863	1	47	-1.0	-44.09	379.79	5.50	-38.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020274864	0	48	-1.0	-50.47	398.78	0.62	-49.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020274864	1	48	-1.0	-50.46	398.83	0.65	-49.81
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020274865	0	51	-1.0	-41.79	407.21	6.87	-34.92
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020274865	1	51	-1.0	-41.85	407.26	6.88	-34.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020274866	0	48	-1.0	-44.01	384.18	6.34	-37.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020274866	1	48	-1.0	-44.02	384.24	6.36	-37.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020274867	0	59	0.0	-62.22	441.24	5.41	-56.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020274867	1	59	0.0	-60.70	442.91	5.98	-54.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020274867	1	58	-1.0	-40.40	442.86	3.89	-36.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020274867	1	58	-1.0	-40.41	442.92	3.90	-36.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020274868	0	56	0.0	-59.67	419.14	4.61	-55.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020274868	1	56	0.0	-59.21	419.75	5.16	-54.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020274868	1	55	-1.0	-43.16	420.68	3.29	-39.87
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020274868	1	55	-1.0	-43.20	420.73	3.32	-39.88
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNC(C)=O	REAL300020274869	0	46	-1.0	-44.38	379.51	2.35	-42.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNC(C)=O	REAL300020274869	1	46	-1.0	-44.40	379.57	2.37	-42.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNC(C)=O	REAL300020274870	0	43	-1.0	-46.24	365.29	1.47	-44.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNC(C)=O	REAL300020274870	1	43	-1.0	-46.21	365.35	1.49	-44.72
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCNC(C)=O	REAL300020274871	0	50	-1.0	-45.14	415.16	4.25	-40.89
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCNC(C)=O	REAL300020274871	1	50	-1.0	-45.11	415.20	4.24	-40.87
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020274872	0	49	-1.0	-41.10	403.55	5.72	-35.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020274872	1	49	-1.0	-41.07	403.61	5.73	-35.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020274873	0	46	-1.0	-44.22	368.64	4.90	-39.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020274873	1	46	-1.0	-44.23	368.70	4.93	-39.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020274874	0	44	-1.0	-39.83	377.02	6.61	-33.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020274874	1	44	-1.0	-39.86	377.08	6.62	-33.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020274875	0	41	-1.0	-40.23	355.58	5.85	-34.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020274875	1	41	-1.0	-40.20	355.53	5.82	-34.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020274876	0	48	-1.0	-41.44	393.21	5.80	-35.64
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020274876	1	48	-1.0	-41.48	393.27	5.81	-35.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020274877	0	45	-1.0	-44.48	371.17	4.99	-39.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020274877	1	45	-1.0	-44.54	371.12	4.97	-39.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020274878	0	45	-1.0	-42.34	384.56	6.89	-35.45
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020274878	1	45	-1.0	-42.34	384.61	6.91	-35.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020274879	0	42	-1.0	-43.78	362.54	6.09	-37.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020274879	1	42	-1.0	-43.76	362.48	6.06	-37.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2NC(C)=O)C1	REAL300020274880	0	51	-1.0	-47.76	409.06	5.69	-42.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2NC(C)=O)C1	REAL300020274880	1	51	-1.0	-47.78	409.12	5.71	-42.07
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020274881	0	45	-1.0	-40.99	375.49	6.48	-34.51
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020274881	1	45	-1.0	-40.94	375.54	6.50	-34.44
C#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020274882	0	42	-1.0	-42.51	354.87	5.53	-36.98
C#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020274882	1	42	-1.0	-42.50	354.81	5.51	-36.99
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020274883	0	49	-1.0	-42.70	393.64	8.34	-34.36
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020274883	1	49	-1.0	-42.70	393.68	8.33	-34.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020274884	0	53	-1.0	-40.73	431.90	7.12	-33.61
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020274884	1	53	-1.0	-40.75	431.96	7.14	-33.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020274885	0	50	-1.0	-44.12	396.89	6.42	-37.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020274885	1	50	-1.0	-44.08	396.94	6.44	-37.64
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274886	0	58	0.0	-60.97	426.10	6.80	-54.17
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274886	1	58	0.0	-60.98	426.05	6.78	-54.20
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274887	0	55	0.0	-58.67	403.86	6.21	-52.46
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274887	1	55	0.0	-58.70	403.91	6.22	-52.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020274888	0	44	-1.0	-40.16	371.71	2.97	-37.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020274888	1	44	-1.0	-40.14	371.77	2.98	-37.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020274889	0	41	-1.0	-40.79	356.52	1.96	-38.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020274889	1	41	-1.0	-40.81	356.58	1.99	-38.82
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020274890	0	48	-1.0	-41.95	394.68	4.91	-37.04
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020274890	1	48	-1.0	-41.91	394.70	4.90	-37.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020274891	0	54	-1.0	-41.53	428.45	6.68	-34.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020274891	1	54	-1.0	-41.55	428.51	6.70	-34.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020274892	0	51	-1.0	-44.40	409.83	5.80	-38.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020274892	1	51	-1.0	-44.42	409.89	5.83	-38.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020274893	0	51	-1.0	-46.50	415.82	7.08	-39.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020274893	1	51	-1.0	-46.49	415.76	7.06	-39.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020274894	0	48	-1.0	-47.46	400.48	6.06	-41.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020274894	1	48	-1.0	-47.45	400.43	6.04	-41.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020274895	0	56	-1.0	-41.13	430.04	8.32	-32.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020274895	1	56	-1.0	-41.12	430.10	8.33	-32.79
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020274896	0	53	-1.0	-43.56	408.45	7.53	-36.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020274896	1	53	-1.0	-43.59	408.51	7.55	-36.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020274897	0	51	-1.0	-43.62	401.20	1.76	-41.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020274897	1	51	-1.0	-43.62	401.25	1.78	-41.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020274898	0	48	-1.0	-45.50	383.30	1.11	-44.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020274898	1	48	-1.0	-45.52	383.37	1.13	-44.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020274899	0	57	-1.0	-39.34	426.53	7.09	-32.25
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020274899	1	57	-1.0	-39.33	426.59	7.10	-32.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020274900	0	54	-1.0	-41.59	417.02	6.35	-35.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020274900	1	54	-1.0	-41.57	417.07	6.36	-35.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020274901	0	55	0.0	-62.79	419.43	7.20	-55.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020274901	1	55	0.0	-62.74	419.37	7.19	-55.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020274902	0	52	0.0	-58.86	403.87	6.31	-52.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020274902	1	52	0.0	-58.83	403.93	6.33	-52.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020274903	0	50	-1.0	-41.74	394.92	7.87	-33.87
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020274903	1	50	-1.0	-41.75	394.98	7.89	-33.86
COCCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274904	0	56	-1.0	-45.22	451.73	2.04	-43.18
COCCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274904	1	56	-1.0	-45.26	451.79	2.07	-43.19
COCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274904	1	57	0.0	-64.54	448.64	4.43	-60.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020274905	0	44	-1.0	-41.56	368.83	5.84	-35.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020274905	1	44	-1.0	-41.56	368.88	5.86	-35.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020274906	0	41	-1.0	-44.24	348.86	5.17	-39.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020274906	1	41	-1.0	-44.21	348.92	5.19	-39.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020274907	0	45	-1.0	-43.68	389.24	6.49	-37.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020274907	1	45	-1.0	-43.65	389.30	6.50	-37.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020274908	0	42	-1.0	-49.64	358.69	5.88	-43.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020274908	1	42	-1.0	-49.65	358.63	5.85	-43.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020274909	0	55	-1.0	-40.16	438.22	6.10	-34.06
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020274909	1	56	0.0	-68.41	441.74	8.51	-59.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020274909	1	55	-1.0	-40.16	438.28	6.12	-34.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020274910	0	52	-1.0	-42.82	421.52	5.59	-37.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020274910	1	53	0.0	-66.81	419.39	7.85	-58.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020274910	1	52	-1.0	-42.87	421.58	5.61	-37.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020274911	0	41	-1.0	-42.01	341.80	5.17	-36.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020274911	1	41	-1.0	-41.96	341.86	5.19	-36.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020274912	0	38	-1.0	-43.37	319.65	4.63	-38.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020274912	1	38	-1.0	-43.35	319.71	4.66	-38.69
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020274913	0	45	-1.0	-43.15	371.59	7.11	-36.04
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020274913	1	45	-1.0	-43.21	371.61	7.10	-36.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020274914	0	43	-1.0	-40.23	357.44	5.48	-34.75
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020274914	1	43	-1.0	-40.25	357.49	5.50	-34.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020274915	0	40	-1.0	-41.74	336.62	4.71	-37.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020274915	1	40	-1.0	-41.73	336.68	4.73	-37.00
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020274916	0	47	-1.0	-41.34	377.98	7.47	-33.87
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020274916	1	47	-1.0	-41.36	378.01	7.46	-33.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020274917	0	47	-1.0	-41.21	389.67	6.53	-34.68
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020274917	1	47	-1.0	-41.26	389.73	6.54	-34.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020274918	0	44	-1.0	-44.47	363.83	6.09	-38.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020274918	1	44	-1.0	-44.45	363.88	6.11	-38.34
CCN1C=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C(C)C)C=N1	REAL300020274919	0	55	-1.0	-43.65	427.72	6.43	-37.22
CCN1C=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C(C)C)C=N1	REAL300020274919	1	55	-1.0	-43.70	427.66	6.41	-37.29
CCN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C(C)C)C=N1	REAL300020274920	0	52	-1.0	-46.93	408.02	5.71	-41.22
CCN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C(C)C)C=N1	REAL300020274920	1	52	-1.0	-46.95	407.96	5.69	-41.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020274921	0	50	-1.0	-43.31	413.70	5.12	-38.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020274921	1	50	-1.0	-43.29	413.76	5.13	-38.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020274922	0	47	-1.0	-44.51	391.97	4.28	-40.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020274922	1	47	-1.0	-44.56	392.03	4.29	-40.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020274923	0	51	-1.0	-39.82	407.22	5.67	-34.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020274923	1	51	-1.0	-39.84	407.28	5.69	-34.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020274924	0	48	-1.0	-41.88	386.70	4.66	-37.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020274924	1	48	-1.0	-41.83	386.76	4.68	-37.15
CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274925	0	50	-1.0	-38.99	400.50	5.07	-33.92
CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274925	1	50	-1.0	-39.03	400.56	5.09	-33.94
CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020274926	0	47	-1.0	-41.45	382.69	4.41	-37.04
CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020274926	1	47	-1.0	-41.50	382.75	4.43	-37.07
CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CC1	REAL300020274927	0	54	-1.0	-40.20	431.13	7.15	-33.05
CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1	REAL300020274927	1	54	-1.0	-40.14	431.17	7.15	-32.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020274928	0	53	-1.0	-45.82	426.49	5.40	-40.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020274928	1	53	-1.0	-45.84	426.55	5.43	-40.41
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1CCCOC1	REAL300020274929	0	50	-1.0	-42.16	383.18	3.71	-38.45
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1CCCOC1	REAL300020274929	1	50	-1.0	-42.07	383.24	3.72	-38.35
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CCCOC1	REAL300020274930	0	47	-1.0	-43.79	366.12	3.08	-40.71
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CCCOC1	REAL300020274930	1	47	-1.0	-43.80	366.18	3.10	-40.70
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC)C1CCCOC1	REAL300020274931	0	54	-1.0	-42.62	406.49	6.57	-36.05
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC)C1CCCOC1	REAL300020274931	1	54	-1.0	-42.65	406.50	6.56	-36.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020274932	0	52	-1.0	-45.29	427.33	7.65	-37.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020274932	1	52	-1.0	-45.26	427.39	7.67	-37.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020274933	0	54	-1.0	-39.45	422.39	6.38	-33.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020274933	1	54	-1.0	-39.43	422.44	6.39	-33.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020274934	0	51	-1.0	-42.40	396.82	5.46	-36.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020274934	1	51	-1.0	-42.41	396.88	5.49	-36.92
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020274935	0	53	-1.0	-40.69	421.11	5.82	-34.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020274935	1	53	-1.0	-40.70	421.16	5.83	-34.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020274936	0	50	-1.0	-42.53	397.94	4.95	-37.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020274936	1	50	-1.0	-42.54	398.00	4.98	-37.56
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020274937	0	53	-1.0	-40.46	394.88	7.27	-33.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020274937	1	53	-1.0	-40.42	394.94	7.28	-33.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020274938	0	50	-1.0	-41.89	388.30	7.81	-34.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020274938	1	50	-1.0	-41.92	388.24	7.78	-34.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020274939	0	49	-1.0	-46.79	398.95	2.70	-44.09
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020274939	1	49	-1.0	-46.76	399.01	2.71	-44.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020274940	0	46	-1.0	-47.14	373.39	1.98	-45.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020274940	1	46	-1.0	-47.16	373.45	1.99	-45.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020274941	0	53	-1.0	-44.90	437.44	7.86	-37.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020274941	1	53	-1.0	-44.88	437.49	7.87	-37.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020274942	0	50	-1.0	-44.23	411.98	7.14	-37.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020274942	1	50	-1.0	-44.24	412.04	7.15	-37.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020274943	0	44	-1.0	-41.16	378.62	6.09	-35.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020274943	1	44	-1.0	-41.22	378.68	6.10	-35.12
CCN(CCSC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274944	0	46	-1.0	-41.89	379.97	5.02	-36.87
CCN(CCSC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274944	1	46	-1.0	-41.89	380.03	5.03	-36.86
CCN(CCSC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274945	0	43	-1.0	-45.00	358.55	4.26	-40.74
CCN(CCSC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274945	1	43	-1.0	-45.03	358.61	4.28	-40.75
CCN(CCSC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274946	0	50	-1.0	-42.82	407.25	7.02	-35.80
CCN(CCSC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274946	1	50	-1.0	-42.86	407.29	7.02	-35.84
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020274947	0	52	-1.0	-46.92	407.97	4.04	-42.88
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020274947	1	52	-1.0	-46.96	408.03	4.05	-42.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020274948	0	49	-1.0	-50.28	390.61	3.09	-47.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020274948	1	49	-1.0	-50.26	390.66	3.12	-47.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020274949	0	50	-1.0	-44.28	399.58	7.48	-36.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020274949	1	50	-1.0	-44.26	399.63	7.50	-36.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020274950	0	47	-1.0	-40.41	390.26	6.78	-33.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020274950	1	47	-1.0	-40.41	390.32	6.80	-33.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020274951	0	44	-1.0	-41.26	371.39	6.08	-35.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020274951	1	44	-1.0	-41.29	371.45	6.11	-35.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020274952	0	44	-1.0	-42.44	360.00	3.31	-39.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020274952	1	44	-1.0	-42.42	360.06	3.32	-39.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020274953	0	41	-1.0	-43.11	340.39	2.65	-40.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020274953	1	41	-1.0	-43.08	340.34	2.63	-40.45
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020274954	0	48	-1.0	-43.96	383.60	5.23	-38.73
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020274954	1	48	-1.0	-43.96	383.63	5.22	-38.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020274955	0	50	-1.0	-43.21	416.60	8.11	-35.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020274955	1	50	-1.0	-43.21	416.65	8.14	-35.07
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020274956	0	59	-1.0	-38.80	443.81	8.70	-30.10
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020274956	1	59	-1.0	-38.81	443.87	8.72	-30.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020274957	0	56	-1.0	-41.52	421.52	8.29	-33.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020274957	1	56	-1.0	-41.53	421.57	8.32	-33.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020274958	0	52	-1.0	-50.45	419.46	8.80	-41.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020274958	1	52	-1.0	-50.44	419.40	8.78	-41.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020274959	0	49	-1.0	-53.33	402.25	7.94	-45.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020274959	1	49	-1.0	-53.30	402.19	7.91	-45.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020274960	0	50	-1.0	-46.23	417.67	4.66	-41.57
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020274960	1	50	-1.0	-46.25	417.73	4.67	-41.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020274961	0	47	-1.0	-46.95	390.23	4.01	-42.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020274961	1	47	-1.0	-46.99	390.29	4.03	-42.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020274962	0	48	-1.0	-41.49	406.56	7.70	-33.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020274962	1	48	-1.0	-41.50	406.62	7.73	-33.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020274963	0	54	-1.0	-40.94	432.50	7.28	-33.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020274963	1	54	-1.0	-40.94	432.56	7.29	-33.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020274964	0	51	-1.0	-44.22	407.35	6.61	-37.61
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020274964	1	51	-1.0	-44.22	407.41	6.64	-37.58
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274965	0	53	-1.0	-43.98	437.23	7.28	-36.70
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274965	1	53	-1.0	-43.98	437.29	7.30	-36.68
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274966	0	50	-1.0	-44.51	415.85	6.49	-38.02
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274966	1	50	-1.0	-44.53	415.91	6.51	-38.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020274967	0	49	-1.0	-47.93	393.84	4.39	-43.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020274967	1	49	-1.0	-47.96	393.90	4.40	-43.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020274968	0	46	-1.0	-47.75	372.34	3.60	-44.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020274968	1	46	-1.0	-47.74	372.40	3.63	-44.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020274969	0	44	-1.0	-40.82	348.53	5.65	-35.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020274969	1	44	-1.0	-40.84	348.59	5.66	-35.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020274970	0	41	-1.0	-42.37	330.13	4.97	-37.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020274970	1	41	-1.0	-42.35	330.07	4.94	-37.41
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020274971	0	48	-1.0	-40.96	377.35	7.75	-33.21
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020274971	1	48	-1.0	-40.84	377.37	7.75	-33.09
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020274972	0	51	-1.0	-40.12	400.32	4.81	-35.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020274972	1	51	-1.0	-40.19	400.37	4.83	-35.36
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020274973	0	48	-1.0	-42.05	378.38	4.19	-37.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020274973	1	48	-1.0	-42.03	378.44	4.20	-37.83
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020274974	0	53	-1.0	-41.32	416.99	2.84	-38.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020274974	1	53	-1.0	-41.34	417.04	2.85	-38.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020274974	1	54	0.0	-67.58	419.81	5.03	-62.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020274975	0	50	-1.0	-42.81	397.33	2.11	-40.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020274975	1	50	-1.0	-42.82	397.39	2.13	-40.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020274975	1	51	0.0	-65.80	394.44	4.33	-61.47
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020274976	0	56	-1.0	-40.20	416.54	7.94	-32.26
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020274976	1	56	-1.0	-40.24	416.60	7.95	-32.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020274977	0	53	-1.0	-41.61	394.38	7.40	-34.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020274977	1	53	-1.0	-41.64	394.44	7.43	-34.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020274978	0	50	-1.0	-40.21	408.74	8.14	-32.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020274978	1	50	-1.0	-40.20	408.80	8.15	-32.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020274979	0	47	-1.0	-44.93	376.77	6.24	-38.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020274979	1	47	-1.0	-44.91	376.73	6.21	-38.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020274980	0	56	-1.0	-42.05	437.03	8.24	-33.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020274980	1	56	-1.0	-42.06	437.09	8.25	-33.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020274981	0	53	-1.0	-44.77	415.57	7.47	-37.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020274981	1	53	-1.0	-44.78	415.63	7.49	-37.29
COCCN(CCF)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020274982	0	46	-1.0	-41.16	377.06	3.08	-38.08
COCCN(CCF)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020274982	1	46	-1.0	-41.21	377.12	3.09	-38.12
COCCN(CCF)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020274983	0	43	-1.0	-40.93	351.65	2.83	-38.10
COCCN(CCF)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020274983	1	43	-1.0	-40.94	351.71	2.85	-38.09
COCCN(CCF)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020274984	0	50	-1.0	-40.73	397.59	5.41	-35.32
COCCN(CCF)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020274984	1	50	-1.0	-40.72	397.63	5.43	-35.29
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020274985	0	51	-1.0	-47.58	408.48	6.52	-41.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020274985	1	51	-1.0	-47.56	408.42	6.50	-41.06
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020274986	0	51	-1.0	-43.50	405.04	3.52	-39.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020274986	1	51	-1.0	-43.52	405.10	3.53	-39.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020274987	0	48	-1.0	-44.46	383.03	2.91	-41.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020274987	1	48	-1.0	-44.46	383.08	2.93	-41.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020274988	0	48	-1.0	-42.71	379.15	2.93	-39.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020274988	1	48	-1.0	-42.75	379.21	2.94	-39.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020274989	0	45	-1.0	-43.67	367.92	2.37	-41.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020274989	1	45	-1.0	-43.66	367.98	2.40	-41.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020274990	0	48	-1.0	-39.92	392.75	4.70	-35.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020274990	1	48	-1.0	-39.90	392.81	4.72	-35.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020274991	0	45	-1.0	-41.78	367.86	4.11	-37.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020274991	1	45	-1.0	-41.80	367.92	4.13	-37.67
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CCCOC1	REAL300020274992	0	52	-1.0	-41.35	414.99	6.85	-34.50
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CCCOC1	REAL300020274992	1	52	-1.0	-41.33	415.04	6.85	-34.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020274993	0	56	-1.0	-39.09	414.94	7.58	-31.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020274993	1	56	-1.0	-39.10	414.99	7.60	-31.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020274994	0	53	-1.0	-41.22	393.01	6.98	-34.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020274994	1	53	-1.0	-41.22	393.06	7.00	-34.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020274995	0	51	-1.0	-40.00	394.41	4.41	-35.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020274995	1	51	-1.0	-39.99	394.47	4.42	-35.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020274996	0	48	-1.0	-41.64	363.40	3.54	-38.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020274996	1	48	-1.0	-41.64	363.45	3.56	-38.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020274997	0	48	-1.0	-42.85	384.87	-0.01	-42.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020274997	1	48	-1.0	-42.85	384.92	0.00	-42.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020274998	0	45	-1.0	-45.73	367.08	-0.66	-46.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020274998	1	45	-1.0	-45.71	367.14	-0.64	-46.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020274999	0	53	-1.0	-39.17	413.32	7.90	-31.27
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020274999	1	53	-1.0	-39.18	413.38	7.91	-31.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020275000	0	50	-1.0	-41.62	391.51	7.29	-34.33
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020275000	1	50	-1.0	-41.65	391.57	7.31	-34.34
C=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020275001	0	50	-1.0	-39.33	398.45	6.89	-32.44
C=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020275001	1	50	-1.0	-39.34	398.51	6.91	-32.43
C=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020275002	0	47	-1.0	-41.78	380.68	6.23	-35.55
C=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020275002	1	47	-1.0	-41.77	380.74	6.25	-35.52
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020275003	0	54	-1.0	-40.22	430.49	9.00	-31.22
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020275003	1	54	-1.0	-40.17	430.53	8.99	-31.18
CCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCOC)=N1	REAL300020275004	0	43	-1.0	-43.98	364.70	7.18	-36.80
CCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCOC)=N1	REAL300020275004	1	43	-1.0	-44.00	364.64	7.17	-36.83
CCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCOC)=N1	REAL300020275005	0	40	-1.0	-46.22	343.22	6.41	-39.81
CCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCOC)=N1	REAL300020275005	1	40	-1.0	-46.18	343.16	6.37	-39.81
CCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)=N1	REAL300020275006	0	47	-1.0	-44.97	393.10	9.12	-35.85
CCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)=N1	REAL300020275006	1	47	-1.0	-45.02	393.06	9.14	-35.88
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020275007	0	48	-1.0	-39.80	392.61	6.88	-32.92
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020275007	1	48	-1.0	-39.81	392.67	6.90	-32.91
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020275008	0	45	-1.0	-42.26	374.84	6.22	-36.04
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020275008	1	45	-1.0	-42.27	374.90	6.25	-36.02
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020275009	0	52	-1.0	-40.78	424.65	8.99	-31.79
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020275009	1	52	-1.0	-40.73	424.69	8.98	-31.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020275010	0	61	-1.0	-40.32	441.23	8.22	-32.10
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020275010	1	61	-1.0	-40.35	441.28	8.23	-32.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020275011	0	58	-1.0	-43.75	419.60	7.43	-36.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020275011	1	58	-1.0	-43.81	419.66	7.46	-36.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020275012	0	58	-1.0	-39.12	419.91	8.03	-31.09
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020275012	1	58	-1.0	-39.13	419.97	8.05	-31.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020275013	0	55	-1.0	-41.97	401.50	7.70	-34.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020275013	1	55	-1.0	-41.97	401.56	7.73	-34.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020275014	0	56	-1.0	-41.31	431.40	10.66	-30.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020275014	1	56	-1.0	-41.35	431.46	10.67	-30.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020275015	0	53	-1.0	-45.04	387.16	7.00	-38.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020275015	1	53	-1.0	-45.01	387.13	6.98	-38.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020275016	0	49	-1.0	-50.20	400.36	4.95	-45.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020275016	1	49	-1.0	-50.22	400.30	4.94	-45.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020275017	0	46	-1.0	-53.75	378.86	4.18	-49.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020275017	1	46	-1.0	-53.74	378.80	4.15	-49.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020275018	0	56	-1.0	-40.81	399.66	6.50	-34.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020275018	1	56	-1.0	-40.84	399.72	6.51	-34.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020275019	0	53	-1.0	-42.93	377.94	5.84	-37.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020275019	1	53	-1.0	-42.97	377.99	5.87	-37.10
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020275020	0	56	-1.0	-44.88	439.50	6.18	-38.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020275020	1	56	-1.0	-44.93	439.56	6.20	-38.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020275021	0	54	-1.0	-46.19	410.71	4.75	-41.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020275021	1	54	-1.0	-46.21	410.76	4.78	-41.43
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020275022	0	47	-1.0	-43.00	386.18	6.07	-36.93
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020275022	1	47	-1.0	-42.98	386.24	6.08	-36.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020275023	0	44	-1.0	-45.74	368.44	5.39	-40.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020275023	1	44	-1.0	-45.65	368.46	5.42	-40.23
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020275024	0	51	-1.0	-44.48	418.21	8.17	-36.31
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020275024	1	51	-1.0	-44.53	418.26	8.16	-36.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020275025	0	56	-1.0	-38.85	415.24	8.05	-30.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020275025	1	56	-1.0	-38.85	415.29	8.06	-30.79
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020275026	0	53	-1.0	-41.58	402.32	7.30	-34.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020275026	1	53	-1.0	-41.56	402.38	7.33	-34.23
CCC(C)N(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275027	0	48	-1.0	-40.15	373.53	4.20	-35.95
CCC(C)N(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275027	1	48	-1.0	-40.20	373.59	4.21	-35.99
CCC(C)N(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275028	0	45	-1.0	-43.01	357.78	3.63	-39.38
CCC(C)N(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275028	1	45	-1.0	-43.05	357.72	3.61	-39.44
CCC(C)N(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275029	0	52	-1.0	-40.48	407.60	7.99	-32.49
CCC(C)N(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275029	1	52	-1.0	-40.44	407.65	7.98	-32.46
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020275030	0	54	-1.0	-40.09	391.25	7.07	-33.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020275030	1	54	-1.0	-40.08	391.30	7.09	-32.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020275031	0	51	-1.0	-42.59	371.80	6.69	-35.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020275031	1	51	-1.0	-42.54	371.86	6.71	-35.83
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020275032	0	49	-1.0	-45.30	390.67	3.44	-41.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020275032	1	49	-1.0	-45.29	390.73	3.46	-41.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020275033	0	46	-1.0	-45.22	376.88	3.59	-41.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020275033	1	46	-1.0	-45.21	376.94	3.62	-41.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020275034	0	50	-1.0	-40.47	407.42	6.82	-33.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020275034	1	50	-1.0	-40.45	407.48	6.83	-33.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020275035	0	47	-1.0	-43.08	385.06	6.42	-36.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020275035	1	47	-1.0	-43.08	385.11	6.43	-36.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020275036	0	51	-1.0	-40.05	399.12	5.57	-34.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020275036	1	51	-1.0	-40.01	399.18	5.59	-34.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020275037	0	48	-1.0	-41.38	377.17	4.98	-36.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020275037	1	48	-1.0	-41.37	377.23	4.99	-36.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020275038	0	54	-1.0	-41.70	436.54	7.91	-33.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020275038	1	54	-1.0	-41.77	436.60	7.92	-33.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020275039	0	51	-1.0	-45.61	408.95	6.96	-38.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020275039	1	51	-1.0	-45.60	409.01	6.99	-38.61
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020275040	0	55	-1.0	-40.14	428.62	7.53	-32.61
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020275040	1	55	-1.0	-40.12	428.67	7.54	-32.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020275041	0	52	-1.0	-43.38	392.19	6.52	-36.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020275041	1	52	-1.0	-43.36	392.25	6.54	-36.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020275042	0	50	-1.0	-43.29	408.54	5.29	-38.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020275042	1	50	-1.0	-43.27	408.60	5.30	-37.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020275043	0	47	-1.0	-44.67	387.84	4.53	-40.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020275043	1	47	-1.0	-44.69	387.90	4.55	-40.14
CCC1(CC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020275044	0	55	-1.0	-39.41	414.48	7.58	-31.83
CCC1(CC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020275044	1	55	-1.0	-39.45	414.54	7.59	-31.86
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020275045	0	52	-1.0	-43.58	387.82	6.95	-36.63
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020275045	1	52	-1.0	-43.57	387.88	6.97	-36.60
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020275046	0	51	-1.0	-46.63	395.08	1.71	-44.92
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020275046	1	51	-1.0	-46.62	395.13	1.73	-44.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020275047	0	48	-1.0	-51.07	390.08	1.64	-49.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020275047	1	48	-1.0	-51.14	390.14	1.67	-49.47
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020275048	0	50	-1.0	-43.96	409.24	5.86	-38.10
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020275048	1	50	-1.0	-43.95	409.18	5.85	-38.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020275049	0	47	-1.0	-44.67	387.13	5.30	-39.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020275049	1	47	-1.0	-44.65	387.08	5.27	-39.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020275050	0	49	-1.0	-40.91	391.79	6.46	-34.45
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020275050	1	49	-1.0	-40.90	391.85	6.48	-34.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020275051	0	46	-1.0	-44.63	359.36	5.35	-39.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020275051	1	46	-1.0	-44.67	359.42	5.37	-39.30
COCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275052	0	56	-1.0	-41.06	444.10	6.31	-34.75
COCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275052	1	56	-1.0	-41.10	444.16	6.32	-34.78
COCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275053	0	53	-1.0	-43.94	422.59	5.52	-38.42
COCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275053	1	53	-1.0	-43.95	422.65	5.54	-38.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020275054	0	48	-1.0	-42.14	378.36	3.91	-38.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020275054	1	48	-1.0	-42.16	378.41	3.92	-38.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020275055	0	45	-1.0	-45.07	347.66	3.21	-41.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020275055	1	45	-1.0	-45.06	347.71	3.24	-41.82
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020275056	0	52	-1.0	-43.21	408.92	6.04	-37.17
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020275056	1	52	-1.0	-43.17	408.96	6.03	-37.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020275057	0	54	-1.0	-43.11	417.17	6.81	-36.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020275057	1	54	-1.0	-43.09	417.21	6.83	-36.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020275058	0	50	-1.0	-39.09	397.11	5.11	-33.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020275058	1	50	-1.0	-39.07	397.17	5.12	-33.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020275059	0	47	-1.0	-41.41	375.37	4.33	-37.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020275059	1	47	-1.0	-41.47	375.42	4.35	-37.12
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020275060	0	54	-1.0	-40.15	425.47	7.10	-33.05
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020275060	1	54	-1.0	-40.07	425.52	7.08	-32.99
CCCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275061	0	52	-1.0	-41.59	420.84	8.07	-33.52
CCCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275061	1	52	-1.0	-41.60	420.90	8.09	-33.51
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275062	0	49	-1.0	-44.72	406.81	6.89	-37.83
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275062	1	49	-1.0	-44.73	406.87	6.91	-37.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020275063	0	46	-1.0	-41.78	359.49	6.32	-35.46
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020275063	1	46	-1.0	-41.77	359.54	6.33	-35.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020275064	0	43	-1.0	-41.18	353.68	5.25	-35.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020275064	1	43	-1.0	-41.18	353.74	5.28	-35.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020275065	0	51	-1.0	-42.53	427.24	6.02	-36.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020275065	1	51	-1.0	-42.53	427.29	6.04	-36.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020275066	0	48	-1.0	-46.88	405.73	5.24	-41.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020275066	1	48	-1.0	-46.90	405.79	5.26	-41.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020275067	0	45	-1.0	-48.24	376.55	3.43	-44.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020275067	1	45	-1.0	-48.23	376.61	3.44	-44.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020275068	0	42	-1.0	-50.20	361.47	2.55	-47.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020275068	1	42	-1.0	-50.15	361.41	2.52	-47.63
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020275069	0	49	-1.0	-49.83	399.50	5.35	-44.48
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020275069	1	49	-1.0	-49.85	399.53	5.34	-44.51
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020275070	0	52	-1.0	-39.92	405.17	6.20	-33.72
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020275070	1	52	-1.0	-39.92	405.23	6.21	-33.71
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020275071	0	49	-1.0	-42.52	382.54	5.49	-37.03
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020275071	1	49	-1.0	-42.50	382.60	5.50	-37.00
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020275072	0	56	-1.0	-40.63	432.29	8.13	-32.50
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020275072	1	56	-1.0	-40.56	432.33	8.12	-32.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020275073	0	57	-1.0	-39.70	439.66	6.90	-32.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020275073	1	57	-1.0	-39.75	439.72	6.91	-32.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020275074	0	54	-1.0	-42.02	413.75	6.31	-35.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020275074	1	54	-1.0	-42.05	413.80	6.33	-35.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020275075	0	57	-1.0	-42.02	437.12	6.89	-35.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020275075	1	57	-1.0	-42.05	437.18	6.90	-35.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020275076	0	54	-1.0	-46.82	413.70	6.15	-40.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020275076	1	54	-1.0	-46.82	413.76	6.17	-40.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020275077	0	45	-1.0	-41.61	362.96	3.18	-38.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020275077	1	45	-1.0	-41.56	363.02	3.19	-38.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020275078	0	42	-1.0	-44.45	344.17	2.43	-42.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020275078	1	42	-1.0	-44.43	344.22	2.46	-41.97
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020275079	0	49	-1.0	-42.46	396.11	5.31	-37.15
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020275079	1	49	-1.0	-42.41	396.15	5.30	-37.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020275080	0	50	-1.0	-50.22	399.00	4.41	-45.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020275080	1	50	-1.0	-50.24	399.06	4.43	-45.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020275081	0	47	-1.0	-52.80	360.66	3.14	-49.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020275081	1	47	-1.0	-52.78	360.72	3.16	-49.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020275082	0	45	-1.0	-38.59	367.64	6.03	-32.56
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020275082	1	45	-1.0	-38.59	367.70	6.05	-32.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020275083	0	42	-1.0	-42.19	346.56	5.84	-36.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020275083	1	42	-1.0	-42.19	346.62	5.87	-36.32
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020275084	0	49	-1.0	-41.06	393.84	8.59	-32.47
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020275084	1	49	-1.0	-40.98	393.90	8.58	-32.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020275085	0	48	-1.0	-48.45	392.52	0.50	-47.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020275085	1	48	-1.0	-48.52	392.57	0.53	-47.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020275086	0	48	-1.0	-50.55	386.50	1.02	-49.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020275086	1	48	-1.0	-50.52	386.56	1.04	-49.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020275087	0	49	-1.0	-45.87	409.52	2.88	-42.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020275087	1	49	-1.0	-45.86	409.58	2.90	-42.96
CNC(=O)NCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020275088	0	53	-1.0	-47.35	433.05	0.64	-46.71
CNC(=O)NCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020275088	1	53	-1.0	-47.40	433.10	0.65	-46.75
CNC(=O)NCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020275089	0	50	-1.0	-50.56	415.99	-0.24	-50.80
CNC(=O)NCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020275089	1	50	-1.0	-50.54	416.03	-0.21	-50.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020275090	0	51	-1.0	-40.71	399.32	6.04	-34.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020275090	1	51	-1.0	-40.69	399.38	6.06	-34.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020275091	0	48	-1.0	-44.55	382.74	5.43	-39.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020275091	1	48	-1.0	-44.58	382.69	5.41	-39.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020275092	0	48	-1.0	-46.58	393.10	1.57	-45.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020275092	1	48	-1.0	-46.62	393.16	1.59	-45.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020275093	0	45	-1.0	-43.09	368.04	0.68	-42.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020275093	1	45	-1.0	-43.07	368.10	0.70	-42.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020275094	0	49	-1.0	-47.07	393.01	4.37	-42.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020275094	1	49	-1.0	-47.08	393.07	4.39	-42.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020275095	0	46	-1.0	-46.21	385.36	2.92	-43.29
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020275095	1	46	-1.0	-46.22	385.41	2.94	-43.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020275096	0	47	-1.0	-40.19	383.85	4.10	-36.09
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020275096	1	47	-1.0	-40.18	383.91	4.12	-36.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020275097	0	44	-1.0	-41.63	356.14	3.41	-38.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020275097	1	44	-1.0	-41.62	356.21	3.43	-38.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020275098	0	50	-1.0	-43.55	401.46	4.21	-39.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020275098	1	50	-1.0	-43.60	401.52	4.22	-39.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020275099	0	47	-1.0	-43.43	374.61	3.53	-39.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020275099	1	47	-1.0	-43.42	374.67	3.55	-39.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020275100	0	50	-1.0	-48.25	406.67	6.98	-41.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020275100	1	50	-1.0	-48.22	406.73	7.00	-41.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020275101	0	50	-1.0	-48.12	410.27	4.35	-43.77
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020275101	1	50	-1.0	-48.13	410.32	4.36	-43.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020275102	0	47	-1.0	-46.77	396.04	3.47	-43.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020275102	1	47	-1.0	-46.73	396.10	3.49	-43.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020275103	0	53	-1.0	-43.72	418.60	0.63	-43.09
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020275103	1	53	-1.0	-43.73	418.66	0.64	-43.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020275104	0	50	-1.0	-46.00	400.84	-0.04	-46.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020275104	1	50	-1.0	-46.01	400.90	-0.01	-46.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020275105	0	47	-1.0	-42.87	375.48	4.03	-38.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020275105	1	47	-1.0	-42.86	375.54	4.04	-38.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020275106	0	44	-1.0	-47.62	353.98	3.23	-44.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020275106	1	44	-1.0	-47.61	354.03	3.26	-44.35
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1(C)COC1	REAL300020275107	0	51	-1.0	-41.92	404.18	6.28	-35.64
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1(C)COC1	REAL300020275107	1	51	-1.0	-41.83	404.22	6.27	-35.56
CCC(CC)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275108	0	57	-1.0	-39.88	436.73	8.11	-31.77
CCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275108	1	57	-1.0	-39.91	436.78	8.12	-31.79
CCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275109	0	54	-1.0	-41.14	418.91	7.15	-33.99
CCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275109	1	54	-1.0	-41.19	418.97	7.18	-34.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020275110	0	53	-1.0	-39.64	416.80	7.99	-31.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020275110	1	53	-1.0	-39.67	416.86	8.00	-31.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020275111	0	50	-1.0	-41.76	395.30	7.20	-34.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020275111	1	50	-1.0	-41.77	395.36	7.23	-34.54
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020275112	0	49	-1.0	-43.00	399.80	5.88	-37.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020275112	1	49	-1.0	-43.03	399.85	5.89	-37.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020275113	0	46	-1.0	-44.40	377.85	5.28	-39.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020275113	1	46	-1.0	-44.42	377.90	5.29	-39.13
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020275114	0	45	-1.0	-41.87	374.73	3.64	-38.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020275114	1	45	-1.0	-41.88	374.79	3.66	-38.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020275115	0	42	-1.0	-43.40	352.69	2.84	-40.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020275115	1	42	-1.0	-43.41	352.63	2.82	-40.59
CCCCC(CC)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275116	0	63	-1.0	-39.10	486.82	9.55	-29.55
CCCCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275116	1	63	-1.0	-39.05	486.87	9.56	-29.49
CCCCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275117	0	60	-1.0	-41.12	465.00	8.80	-32.32
CCCCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275117	1	60	-1.0	-41.14	465.06	8.83	-32.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020275118	0	50	-1.0	-41.98	406.01	5.19	-36.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020275118	1	50	-1.0	-41.96	406.06	5.20	-36.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020275119	0	47	-1.0	-42.29	373.40	4.07	-38.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020275119	1	47	-1.0	-42.32	373.46	4.09	-38.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020275120	0	54	-1.0	-47.07	428.15	6.05	-41.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020275120	1	54	-1.0	-47.03	428.20	6.07	-40.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020275121	0	51	-1.0	-51.04	409.80	5.37	-45.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020275121	1	51	-1.0	-51.01	409.85	5.39	-45.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020275122	0	54	-1.0	-47.07	428.15	6.05	-41.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020275122	1	54	-1.0	-47.03	428.20	6.07	-40.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020275123	0	51	-1.0	-51.04	409.80	5.37	-45.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020275123	1	51	-1.0	-51.01	409.85	5.39	-45.62
C=C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275124	0	43	-1.0	-39.48	345.59	5.00	-34.48
C=C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275124	1	43	-1.0	-39.49	345.65	5.01	-34.48
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275125	0	47	-1.0	-40.60	383.53	7.34	-33.26
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275125	1	47	-1.0	-40.61	383.58	7.33	-33.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020275126	0	51	-1.0	-42.65	411.22	6.83	-35.82
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020275126	1	51	-1.0	-42.66	411.28	6.84	-35.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020275127	0	48	-1.0	-45.15	390.73	6.16	-38.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020275127	1	48	-1.0	-45.16	390.78	6.18	-38.98
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020275128	0	47	-1.0	-39.80	388.64	4.57	-35.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020275128	1	47	-1.0	-39.79	388.70	4.59	-35.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020275129	0	44	-1.0	-44.04	367.03	3.79	-40.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020275129	1	44	-1.0	-44.02	367.09	3.81	-40.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020275130	0	47	-1.0	-40.76	395.70	4.75	-36.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020275130	1	47	-1.0	-40.77	395.75	4.76	-36.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020275131	0	44	-1.0	-42.80	377.93	4.08	-38.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020275131	1	44	-1.0	-42.83	377.99	4.11	-38.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020275132	0	47	-1.0	-41.28	393.88	5.24	-36.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020275132	1	47	-1.0	-41.30	393.94	5.27	-36.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020275133	0	52	-1.0	-45.14	409.49	6.29	-38.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020275133	1	52	-1.0	-45.09	409.55	6.31	-38.78
CCC(CC)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275134	0	56	-1.0	-47.35	439.91	5.87	-41.48
CCC(CC)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275134	1	56	-1.0	-47.34	439.98	5.90	-41.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020275135	0	45	-1.0	-41.21	362.08	3.58	-37.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020275135	1	45	-1.0	-41.20	362.14	3.60	-37.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020275136	0	42	-1.0	-42.91	335.20	2.87	-40.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020275136	1	42	-1.0	-42.93	335.25	2.89	-40.04
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020275137	0	49	-1.0	-42.00	390.53	5.54	-36.46
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020275137	1	49	-1.0	-42.03	390.58	5.54	-36.49
CCCCCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275138	0	58	-1.0	-40.36	447.37	7.74	-32.62
CCCCCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275138	1	58	-1.0	-40.38	447.43	7.76	-32.62
CCCCCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275139	0	55	-1.0	-42.64	425.66	7.08	-35.56
CCCCCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275139	1	55	-1.0	-42.67	425.72	7.10	-35.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020275140	0	56	-1.0	-40.44	424.32	7.25	-33.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020275140	1	56	-1.0	-40.45	424.38	7.26	-33.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020275141	0	53	-1.0	-45.00	406.05	6.80	-38.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020275141	1	53	-1.0	-45.00	406.09	6.81	-38.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020275142	0	54	-1.0	-40.74	440.44	6.61	-34.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020275142	1	54	-1.0	-40.69	440.50	6.62	-34.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020275143	0	51	-1.0	-43.47	413.07	5.78	-37.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020275143	1	51	-1.0	-43.48	413.13	5.81	-37.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020275144	0	55	-1.0	-41.97	441.98	7.39	-34.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020275144	1	55	-1.0	-42.03	442.04	7.41	-34.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020275145	0	44	-1.0	-39.00	355.25	5.87	-33.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020275145	1	44	-1.0	-38.97	355.30	5.88	-33.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020275146	0	41	-1.0	-41.95	337.55	5.22	-36.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020275146	1	41	-1.0	-41.94	337.50	5.19	-36.75
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020275147	0	48	-1.0	-41.10	375.44	8.11	-32.99
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020275147	1	48	-1.0	-41.06	375.48	8.07	-32.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020275148	0	53	-1.0	-46.09	421.06	6.44	-39.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020275148	1	53	-1.0	-46.11	421.11	6.46	-39.65
CCN(CC1=CN(CC)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275149	0	52	-1.0	-42.13	419.64	5.40	-36.73
CCN(CC1=CN(CC)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275149	1	52	-1.0	-42.13	419.58	5.39	-36.74
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275150	0	49	-1.0	-44.42	397.95	4.63	-39.79
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275150	1	49	-1.0	-44.37	397.90	4.61	-39.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020275151	0	44	-1.0	-43.65	386.65	3.63	-40.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020275151	1	44	-1.0	-43.61	386.71	3.64	-39.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020275152	0	41	-1.0	-42.95	359.79	3.17	-39.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020275152	1	41	-1.0	-42.94	359.85	3.19	-39.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C)C2	REAL300020275153	0	44	-1.0	-41.37	351.28	5.23	-36.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C)C2	REAL300020275153	1	44	-1.0	-41.38	351.33	5.25	-36.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C)C2	REAL300020275154	0	41	-1.0	-44.70	326.20	4.51	-40.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C)C2	REAL300020275154	1	41	-1.0	-44.69	326.15	4.50	-40.19
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020275155	0	48	-1.0	-41.45	383.35	7.12	-34.33
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020275155	1	48	-1.0	-41.42	383.46	7.11	-34.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020275156	0	49	-1.0	-40.66	396.70	3.12	-37.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020275156	1	49	-1.0	-40.64	396.76	3.14	-37.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020275157	0	46	-1.0	-45.26	377.17	2.74	-42.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020275157	1	46	-1.0	-45.23	377.11	2.72	-42.51
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020275158	0	45	-1.0	-41.16	377.83	6.32	-34.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020275158	1	45	-1.0	-41.18	377.89	6.34	-34.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020275159	0	42	-1.0	-41.45	360.22	5.61	-35.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020275159	1	42	-1.0	-41.42	360.27	5.64	-35.78
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CCSC1	REAL300020275160	0	49	-1.0	-42.08	408.37	8.40	-33.68
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CCSC1	REAL300020275160	1	49	-1.0	-42.08	408.43	8.40	-33.68
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020275161	0	48	-1.0	-40.73	370.18	3.99	-36.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020275161	1	48	-1.0	-40.69	370.24	4.01	-36.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020275162	0	45	-1.0	-43.17	348.69	3.21	-39.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020275162	1	45	-1.0	-43.14	348.75	3.23	-39.91
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020275163	0	52	-1.0	-42.16	397.46	5.95	-36.21
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020275163	1	52	-1.0	-42.10	397.48	5.93	-36.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020275164	0	53	-1.0	-40.23	416.31	7.71	-32.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020275164	1	53	-1.0	-40.19	416.36	7.72	-32.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020275165	0	50	-1.0	-42.81	396.47	7.17	-35.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020275165	1	50	-1.0	-42.82	396.53	7.18	-35.64
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275166	0	53	-1.0	-40.41	422.60	5.53	-34.88
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275166	1	53	-1.0	-40.35	422.66	5.54	-34.81
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275167	0	50	-1.0	-43.73	397.95	4.86	-38.87
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275167	1	50	-1.0	-43.72	398.01	4.89	-38.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020275168	0	49	-1.0	-45.18	407.22	4.50	-40.68
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020275168	1	49	-1.0	-45.20	407.16	4.48	-40.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020275169	0	46	-1.0	-47.99	385.73	3.72	-44.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020275169	1	46	-1.0	-48.01	385.67	3.70	-44.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020275170	0	52	-1.0	-48.31	415.61	5.13	-43.18
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020275170	1	52	-1.0	-48.37	415.66	5.15	-43.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020275171	0	49	-1.0	-52.73	395.26	4.38	-48.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020275171	1	49	-1.0	-52.76	395.31	4.42	-48.34
CCCCCCC(CC)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275172	0	63	-1.0	-39.61	477.20	10.03	-29.58
CCCCCCC(CC)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275172	1	63	-1.0	-39.56	477.25	10.05	-29.51
CCCCCCC(CC)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275173	0	60	-1.0	-41.15	465.77	9.50	-31.65
CCCCCCC(CC)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275173	1	60	-1.0	-41.12	465.84	9.53	-31.59
C#CCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275174	0	48	-1.0	-42.09	397.75	4.21	-37.88
C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275174	1	48	-1.0	-42.06	397.81	4.23	-37.83
C#CCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275175	0	45	-1.0	-44.60	376.21	3.43	-41.17
C#CCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275175	1	45	-1.0	-44.60	376.27	3.45	-41.15
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275176	0	52	-1.0	-42.99	425.63	6.27	-36.72
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275176	1	52	-1.0	-42.93	425.67	6.25	-36.68
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020275177	0	47	-1.0	-40.53	374.94	6.58	-33.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020275177	1	47	-1.0	-40.60	374.99	6.60	-34.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020275178	0	44	-1.0	-43.59	357.84	6.62	-36.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020275178	1	44	-1.0	-43.56	357.79	6.59	-36.97
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020275179	0	54	-1.0	-40.11	416.82	5.11	-35.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020275179	1	54	-1.0	-40.10	416.88	5.12	-34.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020275180	0	51	-1.0	-42.81	399.45	4.55	-38.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020275180	1	51	-1.0	-42.85	399.51	4.57	-38.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020275181	0	59	-1.0	-39.74	443.79	8.90	-30.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020275181	1	59	-1.0	-39.74	443.84	8.92	-30.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020275182	0	56	-1.0	-41.85	425.10	8.19	-33.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020275182	1	56	-1.0	-41.86	425.16	8.22	-33.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020275183	0	53	-1.0	-41.66	410.07	8.47	-33.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020275183	1	53	-1.0	-41.61	410.13	8.48	-33.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020275184	0	50	-1.0	-42.90	399.49	8.20	-34.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020275184	1	50	-1.0	-42.91	399.55	8.22	-34.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020275185	0	51	-1.0	-42.36	411.17	8.12	-34.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020275185	1	51	-1.0	-42.39	411.23	8.14	-34.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020275186	0	48	-1.0	-46.56	389.77	7.38	-39.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020275186	1	48	-1.0	-46.54	389.71	7.35	-39.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020275187	0	51	-1.0	-44.66	420.47	2.99	-41.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020275187	1	51	-1.0	-44.64	420.53	3.01	-41.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020275188	0	48	-1.0	-45.89	395.83	2.33	-43.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020275188	1	48	-1.0	-45.86	395.88	2.35	-43.51
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020275189	0	55	-1.0	-39.89	429.27	7.08	-32.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020275189	1	55	-1.0	-39.91	429.32	7.10	-32.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020275190	0	52	-1.0	-41.94	408.34	6.08	-35.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020275190	1	52	-1.0	-41.92	408.41	6.12	-35.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020275191	0	52	-1.0	-43.95	419.92	4.20	-39.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020275191	1	52	-1.0	-43.96	419.98	4.22	-39.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020275192	0	49	-1.0	-40.75	383.42	4.90	-35.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020275192	1	49	-1.0	-40.75	383.47	4.92	-35.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020275193	0	46	-1.0	-42.88	356.49	4.22	-38.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020275193	1	46	-1.0	-42.87	356.55	4.24	-38.63
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020275194	0	51	-1.0	-49.26	408.73	3.28	-45.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020275194	1	51	-1.0	-49.34	408.79	3.30	-46.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020275195	0	48	-1.0	-51.25	388.82	3.41	-47.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020275195	1	48	-1.0	-51.25	388.88	3.44	-47.81
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020275196	0	55	-1.0	-39.92	409.69	5.35	-34.57
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020275196	1	55	-1.0	-39.92	409.74	5.37	-34.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020275197	0	52	-1.0	-41.71	392.99	4.71	-37.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020275197	1	52	-1.0	-41.68	393.05	4.73	-36.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020275198	0	49	-1.0	-39.22	399.27	6.59	-32.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020275198	1	49	-1.0	-39.26	399.33	6.60	-32.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020275199	0	46	-1.0	-41.13	377.78	5.82	-35.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020275199	1	46	-1.0	-41.12	377.84	5.84	-35.28
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1(C)C	REAL300020275200	0	53	-1.0	-40.87	418.90	8.65	-32.22
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1(C)C	REAL300020275200	1	53	-1.0	-40.87	418.92	8.64	-32.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020275201	0	51	-1.0	-39.89	392.18	3.54	-36.35
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020275201	1	51	-1.0	-39.90	392.24	3.55	-36.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020275202	0	48	-1.0	-43.36	365.70	2.99	-40.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020275202	1	48	-1.0	-43.38	365.76	3.01	-40.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020275203	0	49	-1.0	-45.96	403.98	0.88	-45.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020275203	1	49	-1.0	-45.91	404.04	0.90	-45.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020275204	0	46	-1.0	-49.45	383.17	0.19	-49.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020275204	1	46	-1.0	-49.48	383.23	0.22	-49.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020275205	0	59	0.0	-65.34	458.34	6.34	-59.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020275205	1	59	0.0	-65.37	458.39	6.35	-59.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020275206	0	56	0.0	-64.28	440.60	5.68	-58.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020275206	1	56	0.0	-64.26	440.67	5.70	-58.56
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020275207	0	47	-1.0	-39.47	361.84	6.82	-32.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020275207	1	47	-1.0	-39.47	361.90	6.83	-32.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020275208	0	44	-1.0	-43.14	345.52	6.20	-36.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020275208	1	44	-1.0	-43.16	345.57	6.23	-36.93
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020275209	0	51	-1.0	-40.66	394.86	8.96	-31.70
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020275209	1	51	-1.0	-40.57	394.88	8.95	-31.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020275210	0	56	-1.0	-48.82	449.56	4.98	-43.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020275210	1	56	-1.0	-48.86	449.62	4.99	-43.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020275211	0	53	-1.0	-49.04	424.64	4.29	-44.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020275211	1	53	-1.0	-49.02	424.70	4.32	-44.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020275212	0	56	-1.0	-49.53	444.88	5.18	-44.35
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020275212	1	56	-1.0	-49.47	444.94	5.19	-44.28
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020275213	0	53	-1.0	-48.98	424.37	4.31	-44.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020275213	1	53	-1.0	-49.00	424.45	4.34	-44.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020275214	0	45	-1.0	-45.71	368.21	2.57	-43.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020275214	1	45	-1.0	-45.69	368.27	2.59	-43.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020275215	0	42	-1.0	-47.92	342.61	1.85	-46.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020275215	1	42	-1.0	-47.93	342.56	1.83	-46.10
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020275216	0	47	-1.0	-40.69	378.80	5.97	-34.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020275216	1	47	-1.0	-40.71	378.86	5.98	-34.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020275217	0	44	-1.0	-42.55	353.78	6.39	-36.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020275217	1	44	-1.0	-42.53	353.72	6.37	-36.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020275218	0	52	-1.0	-40.72	412.12	6.44	-34.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020275218	1	52	-1.0	-40.74	412.18	6.45	-34.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020275219	0	49	-1.0	-41.86	390.11	5.87	-35.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020275219	1	49	-1.0	-41.88	390.17	5.89	-35.99
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020275220	0	55	-1.0	-50.13	421.94	5.00	-45.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020275220	1	55	-1.0	-50.13	422.00	5.02	-45.11
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020275221	0	52	-1.0	-46.37	401.62	4.29	-42.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020275221	1	52	-1.0	-46.38	401.68	4.31	-42.07
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020275222	0	55	-1.0	-41.17	430.49	7.86	-33.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020275222	1	55	-1.0	-41.19	430.54	7.87	-33.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020275223	0	52	-1.0	-43.72	407.81	7.07	-36.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020275223	1	52	-1.0	-43.69	407.87	7.10	-36.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020275224	0	50	-1.0	-42.17	409.20	4.90	-37.27
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020275224	1	50	-1.0	-42.15	409.26	4.92	-37.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020275225	0	47	-1.0	-45.26	387.72	4.12	-41.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020275225	1	47	-1.0	-45.24	387.77	4.14	-41.10
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020275226	0	56	-1.0	-40.03	431.07	6.32	-33.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020275226	1	56	-1.0	-40.04	431.13	6.33	-33.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020275227	0	53	-1.0	-41.16	418.01	5.87	-35.29
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020275227	1	53	-1.0	-41.19	418.06	5.90	-35.29
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020275228	0	53	-1.0	-51.23	422.88	3.75	-47.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020275228	1	53	-1.0	-51.23	422.93	3.77	-47.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020275229	0	50	-1.0	-53.70	402.22	2.76	-50.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020275229	1	50	-1.0	-53.70	402.27	2.79	-50.91
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020275230	0	51	-1.0	-49.91	422.52	1.33	-48.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020275230	1	51	-1.0	-49.91	422.58	1.35	-48.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020275231	0	48	-1.0	-54.19	401.53	0.35	-53.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020275231	1	48	-1.0	-54.15	401.58	0.37	-53.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020275232	0	54	-1.0	-46.48	436.75	1.01	-45.47
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020275232	1	54	-1.0	-46.44	436.80	1.02	-45.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020275233	0	51	-1.0	-50.26	415.71	0.23	-50.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020275233	1	51	-1.0	-50.27	415.76	0.25	-50.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020275234	0	46	-1.0	-40.22	383.39	6.02	-34.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020275234	1	46	-1.0	-40.22	383.45	6.04	-34.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020275235	0	43	-1.0	-42.68	361.60	5.39	-37.29
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020275235	1	43	-1.0	-42.71	361.65	5.39	-37.32
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020275236	0	46	-1.0	-41.73	375.38	5.83	-35.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020275236	1	46	-1.0	-41.72	375.44	5.85	-35.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020275237	0	43	-1.0	-44.22	353.89	5.05	-39.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020275237	1	43	-1.0	-44.18	353.95	5.07	-39.11
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)CC1	REAL300020275238	0	50	-1.0	-42.65	402.32	7.79	-34.86
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)CC1	REAL300020275238	1	50	-1.0	-42.57	402.36	7.79	-34.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020275239	0	52	-1.0	-39.73	403.42	8.46	-31.27
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020275239	1	52	-1.0	-39.76	403.49	8.48	-31.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020275240	0	49	-1.0	-42.14	386.57	6.71	-35.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020275240	1	49	-1.0	-42.14	386.52	6.68	-35.46
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020275241	0	52	-1.0	-39.64	414.59	7.51	-32.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020275241	1	52	-1.0	-39.63	414.64	7.53	-32.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020275242	0	49	-1.0	-41.63	393.12	6.75	-34.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020275242	1	49	-1.0	-41.65	393.07	6.73	-34.92
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020275243	0	50	-1.0	-39.58	388.81	7.29	-32.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020275243	1	50	-1.0	-39.56	388.87	7.30	-32.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020275244	0	47	-1.0	-43.17	359.84	5.74	-37.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020275244	1	47	-1.0	-43.17	359.89	5.76	-37.41
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020275245	0	54	-1.0	-41.74	408.84	8.45	-33.29
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020275245	1	54	-1.0	-41.70	408.84	8.44	-33.26
CC=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020275246	0	53	-1.0	-39.28	424.28	8.12	-31.16
CC=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020275246	1	53	-1.0	-39.27	424.33	8.13	-31.14
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020275247	0	50	-1.0	-41.87	403.28	7.13	-34.74
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020275247	1	50	-1.0	-41.90	403.34	7.16	-34.74
CNS(=O)(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020275248	0	51	-1.0	-48.51	407.56	0.86	-47.65
CNS(=O)(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020275248	1	51	-1.0	-48.52	407.61	0.88	-47.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(COC)C1	REAL300020275249	0	51	-1.0	-40.64	410.10	3.70	-36.94
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(COC)C1	REAL300020275249	1	51	-1.0	-40.65	410.16	3.72	-36.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(COC)C1	REAL300020275250	0	48	-1.0	-42.54	388.59	2.92	-39.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(COC)C1	REAL300020275250	1	48	-1.0	-42.55	388.65	2.94	-39.61
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020275251	0	51	-1.0	-51.28	417.73	7.50	-43.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020275251	1	51	-1.0	-51.22	417.79	7.51	-43.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020275252	0	48	-1.0	-48.37	404.07	7.51	-40.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020275252	1	48	-1.0	-48.31	404.13	7.54	-40.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020275253	0	48	-1.0	-45.79	394.01	1.30	-44.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020275253	1	48	-1.0	-45.83	394.07	1.32	-44.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020275254	0	45	-1.0	-46.55	376.91	0.42	-46.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020275254	1	45	-1.0	-46.57	376.96	0.45	-46.12
CCC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCOC)CC2)C=C1	REAL300020275255	0	56	-1.0	-42.06	443.69	9.56	-32.50
CCC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCOC)CC2)C=C1	REAL300020275255	1	56	-1.0	-42.09	443.75	9.59	-32.50
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020275256	0	50	-1.0	-43.55	393.62	9.93	-33.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020275256	1	50	-1.0	-43.50	393.68	9.94	-33.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020275257	0	47	-1.0	-46.72	376.17	9.31	-37.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020275257	1	47	-1.0	-46.71	376.12	9.28	-37.43
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020275258	0	54	-1.0	-40.03	407.83	7.28	-32.75
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020275258	1	54	-1.0	-40.00	407.89	7.29	-32.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020275259	0	51	-1.0	-42.73	391.84	6.70	-36.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020275259	1	51	-1.0	-42.74	391.90	6.72	-36.02
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275260	0	58	0.0	-69.11	407.20	6.37	-62.74
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275260	1	58	0.0	-69.11	407.25	6.38	-62.73
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275261	0	55	0.0	-66.65	395.00	5.85	-60.80
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275261	1	55	0.0	-66.63	395.07	5.87	-60.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020275262	0	46	-1.0	-40.12	365.11	4.58	-35.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020275262	1	46	-1.0	-40.10	365.17	4.59	-35.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020275263	0	43	-1.0	-42.39	350.08	4.19	-38.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020275263	1	43	-1.0	-42.34	350.14	4.20	-38.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020275264	0	48	-1.0	-42.27	389.79	3.73	-38.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020275264	1	48	-1.0	-42.29	389.84	3.75	-38.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020275265	0	45	-1.0	-44.39	369.88	3.88	-40.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020275265	1	45	-1.0	-44.40	369.83	3.86	-40.54
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020275266	0	59	0.0	-63.86	434.88	7.33	-56.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020275266	1	59	0.0	-63.84	434.94	7.35	-56.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020275267	0	56	0.0	-66.11	401.53	6.64	-59.47
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020275267	1	56	0.0	-66.15	401.59	6.67	-59.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020275268	0	47	-1.0	-43.30	391.14	2.50	-40.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020275268	1	47	-1.0	-43.31	391.20	2.51	-40.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020275269	0	44	-1.0	-44.83	364.32	1.81	-43.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020275269	1	44	-1.0	-44.88	364.39	1.84	-43.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020275270	0	49	-1.0	-44.51	406.79	6.01	-38.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020275270	1	49	-1.0	-44.53	406.85	6.03	-38.50
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275271	0	59	0.0	-65.01	413.05	6.91	-58.10
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275271	1	59	0.0	-65.00	413.11	6.93	-58.07
CCON1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275272	0	49	-1.0	-39.29	401.79	3.95	-35.34
CCON1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275272	1	49	-1.0	-39.32	401.85	3.97	-35.35
CCON1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275273	0	46	-1.0	-41.25	380.31	3.17	-38.08
CCON1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275273	1	46	-1.0	-41.28	380.36	3.19	-38.09
CCON1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CC1	REAL300020275274	0	53	-1.0	-40.37	430.14	5.97	-34.40
CCON1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1	REAL300020275274	1	53	-1.0	-40.37	430.17	5.96	-34.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020275275	0	49	-1.0	-40.56	395.51	6.62	-33.94
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020275275	1	49	-1.0	-40.53	395.57	6.63	-33.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020275276	0	46	-1.0	-42.78	374.01	5.83	-36.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020275276	1	46	-1.0	-42.83	374.06	5.86	-36.97
CCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020275277	0	51	-1.0	-40.66	412.94	3.85	-36.81
CCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020275277	1	51	-1.0	-40.73	413.00	3.86	-36.87
CCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020275278	0	48	-1.0	-43.38	392.33	3.09	-40.29
CCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020275278	1	48	-1.0	-43.36	392.39	3.11	-40.25
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275279	0	59	0.0	-69.17	449.73	5.47	-63.70
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275279	1	59	0.0	-69.23	449.78	5.50	-63.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020275280	0	47	-1.0	-41.38	389.79	6.72	-34.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020275280	1	47	-1.0	-41.40	389.84	6.73	-34.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020275281	0	44	-1.0	-43.32	371.93	6.05	-37.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020275281	1	44	-1.0	-43.29	371.98	6.08	-37.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020275282	0	57	0.0	-65.69	419.91	4.84	-60.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020275282	1	56	-1.0	-42.37	414.30	2.79	-39.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020275282	1	56	-1.0	-42.33	414.36	2.82	-39.51
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(SC)CC1	REAL300020275283	0	47	-1.0	-39.50	387.13	6.34	-33.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(SC)CC1	REAL300020275283	1	47	-1.0	-39.49	387.19	6.36	-33.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(SC)CC1	REAL300020275284	0	44	-1.0	-41.75	365.34	5.74	-36.01
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(SC)CC1	REAL300020275284	1	44	-1.0	-41.74	365.40	5.75	-35.99
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020275285	0	58	-1.0	-39.27	436.62	10.34	-28.93
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020275285	1	58	-1.0	-39.26	436.68	10.36	-28.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020275286	0	55	-1.0	-40.64	414.87	9.54	-31.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020275286	1	55	-1.0	-40.68	414.93	9.56	-31.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020275287	0	47	-1.0	-43.83	387.63	1.82	-42.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020275287	1	47	-1.0	-43.82	387.69	1.83	-41.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020275288	0	44	-1.0	-46.42	368.16	1.16	-45.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020275288	1	44	-1.0	-46.44	368.22	1.19	-45.25
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020275289	0	51	-1.0	-44.84	416.33	3.85	-40.99
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020275289	1	51	-1.0	-44.75	416.35	3.84	-40.91
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020275290	0	50	-1.0	-50.22	399.00	4.41	-45.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020275290	1	50	-1.0	-50.24	399.06	4.43	-45.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020275291	0	47	-1.0	-52.80	360.66	3.14	-49.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020275291	1	47	-1.0	-52.78	360.72	3.16	-49.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020275292	0	47	-1.0	-46.56	373.07	5.90	-40.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020275292	1	47	-1.0	-46.57	373.13	5.91	-40.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020275293	0	44	-1.0	-44.75	352.24	5.37	-39.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020275293	1	44	-1.0	-44.76	352.30	5.38	-39.38
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC1C#N	REAL300020275294	0	51	-1.0	-43.84	409.82	8.28	-35.56
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC1C#N	REAL300020275294	1	51	-1.0	-43.81	409.85	8.27	-35.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020275295	0	51	-1.0	-49.46	421.06	3.82	-45.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020275295	1	51	-1.0	-49.48	421.12	3.84	-45.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020275296	0	51	-1.0	-52.39	408.80	4.88	-47.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020275296	1	51	-1.0	-52.39	408.85	4.90	-47.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020275297	0	54	-1.0	-43.88	398.74	4.51	-39.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020275297	1	54	-1.0	-43.87	398.79	4.52	-39.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020275298	0	51	-1.0	-45.97	385.78	4.06	-41.91
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020275298	1	51	-1.0	-45.98	385.84	4.09	-41.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020275299	0	50	-1.0	-40.89	408.14	6.26	-34.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020275299	1	50	-1.0	-40.90	408.20	6.28	-34.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020275300	0	47	-1.0	-42.34	392.96	5.41	-36.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020275300	1	47	-1.0	-42.35	392.92	5.38	-36.97
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020275301	0	45	-1.0	-40.69	357.94	4.46	-36.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020275301	1	45	-1.0	-40.70	358.00	4.48	-36.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020275302	0	42	-1.0	-42.68	336.17	3.87	-38.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020275302	1	42	-1.0	-42.68	336.23	3.89	-38.79
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020275303	0	49	-1.0	-41.83	389.25	6.36	-35.47
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020275303	1	49	-1.0	-41.75	389.29	6.36	-35.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020275304	0	49	-1.0	-45.41	405.21	3.55	-41.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020275304	1	49	-1.0	-45.41	405.27	3.57	-41.84
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020275305	0	52	-1.0	-42.87	412.52	5.96	-36.91
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020275305	1	52	-1.0	-42.90	412.57	5.97	-36.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020275306	0	49	-1.0	-42.64	390.75	5.18	-37.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020275306	1	49	-1.0	-42.65	390.81	5.20	-37.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020275307	0	53	0.0	-79.05	417.06	7.73	-71.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020275307	1	53	0.0	-79.06	417.01	7.71	-71.35
CCC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020275308	0	47	-1.0	-43.07	383.99	4.78	-38.29
CCC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020275308	1	47	-1.0	-43.08	384.05	4.81	-38.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020275309	0	47	-1.0	-41.09	385.48	4.38	-36.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020275309	1	47	-1.0	-41.09	385.54	4.40	-36.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020275310	0	44	-1.0	-43.22	367.75	3.71	-39.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020275310	1	44	-1.0	-43.20	367.80	3.75	-39.45
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020275311	0	54	-1.0	-42.18	425.97	9.13	-33.05
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020275311	1	54	-1.0	-42.21	426.02	9.14	-33.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020275312	0	51	-1.0	-44.12	406.59	8.23	-35.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020275312	1	51	-1.0	-44.15	406.64	8.26	-35.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)CCC1C	REAL300020275313	0	50	-1.0	-40.72	400.00	4.12	-36.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)CCC1C	REAL300020275313	1	50	-1.0	-40.69	400.06	4.13	-36.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)CCC1C	REAL300020275314	0	47	-1.0	-43.87	378.63	3.34	-40.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)CCC1C	REAL300020275314	1	47	-1.0	-43.85	378.69	3.36	-40.49
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)CCC1C	REAL300020275315	0	54	-1.0	-41.23	428.19	6.10	-35.13
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)CCC1C	REAL300020275315	1	54	-1.0	-41.30	428.23	6.09	-35.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020275316	0	53	-1.0	-43.75	431.36	5.72	-38.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020275316	1	53	-1.0	-43.72	431.42	5.74	-37.98
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275317	0	53	-1.0	-45.50	423.35	5.80	-39.70
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275317	1	53	-1.0	-45.53	423.41	5.83	-39.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020275318	0	52	-1.0	-41.02	429.77	6.92	-34.10
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020275318	1	52	-1.0	-41.00	429.82	6.93	-34.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020275319	0	49	-1.0	-42.73	403.91	6.36	-36.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020275319	1	49	-1.0	-42.72	403.97	6.37	-36.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020275320	0	46	-1.0	-45.76	385.31	2.00	-43.76
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020275320	1	46	-1.0	-45.80	385.36	2.01	-43.79
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020275321	0	43	-1.0	-46.97	363.61	1.38	-45.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020275321	1	43	-1.0	-47.00	363.70	1.41	-45.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020275322	0	50	-1.0	-41.34	389.13	3.56	-37.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020275322	1	50	-1.0	-41.32	389.20	3.58	-37.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020275323	0	47	-1.0	-43.97	383.82	3.47	-40.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020275323	1	47	-1.0	-44.00	383.88	3.48	-40.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020275324	0	48	-1.0	-43.69	389.05	5.58	-38.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020275324	1	48	-1.0	-43.70	389.11	5.59	-38.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020275325	0	45	-1.0	-47.30	367.62	4.82	-42.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020275325	1	45	-1.0	-47.33	367.57	4.80	-42.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020275326	0	40	-1.0	-46.90	338.63	5.20	-41.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020275326	1	40	-1.0	-46.87	338.58	5.18	-41.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020275327	0	37	-1.0	-48.92	321.95	4.57	-44.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020275327	1	37	-1.0	-48.92	321.90	4.54	-44.38
COCCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020275328	0	44	-1.0	-48.10	371.80	7.29	-40.81
COCCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020275328	1	44	-1.0	-48.10	371.75	7.30	-40.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020275329	0	48	-1.0	-43.53	401.37	6.23	-37.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020275329	1	48	-1.0	-43.54	401.42	6.27	-37.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020275330	0	46	-1.0	-40.76	386.32	6.30	-34.46
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020275330	1	46	-1.0	-40.76	386.38	6.31	-34.45
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020275331	0	43	-1.0	-43.63	361.92	5.44	-38.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020275331	1	43	-1.0	-43.61	361.97	5.46	-38.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020275332	0	48	-1.0	-41.08	367.62	6.22	-34.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020275332	1	48	-1.0	-41.07	367.68	6.23	-34.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020275333	0	45	-1.0	-42.60	348.23	6.44	-36.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020275333	1	45	-1.0	-42.60	348.28	6.46	-36.14
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020275334	0	52	-1.0	-41.92	400.80	8.36	-33.56
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020275334	1	52	-1.0	-41.96	400.81	8.35	-33.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020275335	0	55	-1.0	-44.06	435.29	5.12	-38.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020275335	1	55	-1.0	-44.06	435.34	5.14	-38.92
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020275336	0	47	-1.0	-45.84	380.51	3.23	-42.61
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020275336	1	47	-1.0	-45.84	380.57	3.24	-42.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020275337	0	44	-1.0	-47.76	358.43	2.69	-45.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020275337	1	44	-1.0	-47.78	358.49	2.71	-45.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020275338	0	50	-1.0	-42.75	407.20	8.19	-34.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020275338	1	50	-1.0	-42.75	407.25	8.21	-34.54
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020275339	0	52	-1.0	-48.70	415.85	3.11	-45.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020275339	1	52	-1.0	-48.72	415.90	3.13	-45.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020275340	0	49	-1.0	-53.58	393.09	2.26	-51.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020275340	1	49	-1.0	-53.60	393.14	2.29	-51.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020275341	0	48	-1.0	-39.87	389.95	6.75	-33.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020275341	1	48	-1.0	-39.88	390.00	6.76	-33.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020275342	0	45	-1.0	-41.83	372.14	6.09	-35.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020275342	1	45	-1.0	-41.88	372.20	6.12	-35.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020275343	0	49	-1.0	-38.88	411.58	7.29	-31.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020275343	1	49	-1.0	-38.87	411.64	7.30	-31.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020275344	0	46	-1.0	-40.55	389.90	6.77	-33.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020275344	1	46	-1.0	-40.57	389.96	6.79	-33.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020275345	0	53	-1.0	-42.11	419.28	6.77	-35.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020275345	1	53	-1.0	-42.10	419.34	6.79	-35.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020275346	0	50	-1.0	-43.42	386.98	5.94	-37.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020275346	1	50	-1.0	-43.43	386.93	5.92	-37.51
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020275347	0	53	0.0	-68.63	393.26	5.89	-62.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020275347	1	53	0.0	-66.53	403.75	6.25	-60.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020275347	1	53	0.0	-68.66	393.32	5.90	-62.76
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020275347	1	53	0.0	-66.56	403.81	6.26	-60.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020275348	0	50	0.0	-65.82	390.68	5.79	-60.03
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020275348	1	50	0.0	-66.08	386.04	5.57	-60.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020275348	1	50	0.0	-65.79	390.73	5.81	-59.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020275348	1	50	0.0	-66.09	386.10	5.59	-60.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020275349	0	50	-1.0	-44.71	416.75	5.92	-38.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020275349	1	50	-1.0	-44.72	416.81	5.95	-38.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020275350	0	49	-1.0	-43.11	402.44	5.60	-37.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020275350	1	49	-1.0	-43.13	402.49	5.63	-37.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020275351	0	58	0.0	-66.28	435.19	4.98	-61.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020275351	1	58	0.0	-66.29	435.24	4.99	-61.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020275352	0	49	-1.0	-43.98	401.12	3.81	-40.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020275352	1	49	-1.0	-44.00	401.17	3.82	-40.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020275353	0	46	-1.0	-46.62	383.32	3.14	-43.48
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020275353	1	46	-1.0	-46.62	383.38	3.16	-43.46
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020275354	0	51	-1.0	-49.98	418.69	5.73	-44.25
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020275354	1	51	-1.0	-50.01	418.75	5.74	-44.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020275355	0	48	-1.0	-51.27	394.72	5.56	-45.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020275355	1	48	-1.0	-51.27	394.78	5.57	-45.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020275356	0	55	0.0	-66.48	401.82	6.64	-59.84
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020275356	1	55	0.0	-64.44	409.90	6.27	-58.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020275356	1	55	0.0	-66.50	401.87	6.66	-59.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020275356	1	55	0.0	-64.46	409.96	6.29	-58.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020275357	0	52	0.0	-65.39	391.63	6.19	-59.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020275357	1	52	0.0	-62.20	388.28	5.66	-56.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020275357	1	52	0.0	-65.37	391.69	6.20	-59.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020275357	1	52	0.0	-62.19	388.33	5.69	-56.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020275358	0	55	-1.0	-45.11	437.85	7.05	-38.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020275358	1	55	-1.0	-45.09	437.90	7.07	-38.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020275359	0	57	-1.0	-42.31	429.55	6.75	-35.56
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020275359	1	57	-1.0	-42.26	429.61	6.76	-35.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020275360	0	54	-1.0	-44.40	407.28	6.25	-38.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020275360	1	54	-1.0	-44.39	407.34	6.27	-38.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020275361	0	50	-1.0	-42.46	409.62	7.83	-34.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020275361	1	50	-1.0	-42.46	409.68	7.85	-34.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020275362	0	48	-1.0	-46.87	397.85	3.64	-43.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020275362	1	48	-1.0	-46.86	397.91	3.67	-43.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020275363	0	47	-1.0	-40.46	391.04	4.79	-35.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020275363	1	47	-1.0	-40.44	391.10	4.80	-35.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020275364	0	44	-1.0	-42.95	357.79	3.43	-39.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020275364	1	44	-1.0	-42.92	357.85	3.45	-39.47
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020275365	0	44	-1.0	-47.06	377.87	3.44	-43.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020275365	1	44	-1.0	-47.03	377.93	3.45	-43.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020275366	0	41	-1.0	-48.87	352.98	2.86	-46.01
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020275366	1	41	-1.0	-48.86	353.04	2.88	-45.98
CCOC(=O)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020275367	0	53	-1.0	-44.67	430.27	5.82	-38.85
CCOC(=O)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020275367	1	53	-1.0	-44.65	430.33	5.84	-38.81
CCOC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020275368	0	50	-1.0	-47.71	408.35	5.04	-42.67
CCOC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020275368	1	50	-1.0	-47.67	408.40	5.07	-42.60
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020275369	0	50	-1.0	-44.03	415.69	8.02	-36.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020275369	1	50	-1.0	-44.04	415.74	8.04	-36.00
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020275370	0	47	-1.0	-46.33	406.77	7.30	-39.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020275370	1	47	-1.0	-46.31	406.82	7.33	-38.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020275371	0	43	-1.0	-43.13	371.29	7.32	-35.81
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020275371	1	43	-1.0	-43.16	371.24	7.30	-35.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020275372	0	40	-1.0	-44.93	349.82	6.54	-38.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020275372	1	40	-1.0	-44.93	349.76	6.51	-38.42
COCCN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020275373	0	47	-1.0	-44.40	399.69	9.25	-35.15
COCCN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020275373	1	47	-1.0	-44.38	399.65	9.28	-35.10
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020275374	0	50	-1.0	-41.29	386.51	2.81	-38.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020275374	1	50	-1.0	-41.33	386.57	2.83	-38.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020275375	0	47	-1.0	-43.95	363.76	2.35	-41.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020275375	1	47	-1.0	-43.98	363.81	2.38	-41.60
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1C	REAL300020275376	0	54	-1.0	-41.99	410.31	5.04	-36.95
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1C	REAL300020275376	1	54	-1.0	-41.99	410.35	5.03	-36.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020275377	0	56	-1.0	-42.84	437.63	6.19	-36.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020275377	1	56	-1.0	-42.79	437.69	6.22	-36.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020275378	0	48	-1.0	-43.69	389.05	5.58	-38.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020275378	1	48	-1.0	-43.70	389.11	5.59	-38.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020275379	0	45	-1.0	-47.30	367.62	4.82	-42.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020275379	1	45	-1.0	-47.33	367.57	4.80	-42.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020275380	0	47	-1.0	-44.25	373.03	9.51	-34.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020275380	1	47	-1.0	-44.26	373.09	9.52	-34.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020275381	0	44	-1.0	-46.75	351.04	8.99	-37.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020275381	1	44	-1.0	-46.74	350.99	8.97	-37.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020275382	0	47	-1.0	-44.41	386.36	6.46	-37.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020275382	1	47	-1.0	-44.44	386.41	6.48	-37.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020275383	0	55	-1.0	-44.63	433.70	7.11	-37.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020275383	1	55	-1.0	-44.63	433.75	7.12	-37.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020275384	0	61	0.0	-65.70	461.85	8.80	-56.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020275384	1	61	0.0	-65.72	461.91	8.83	-56.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020275385	0	53	-1.0	-45.40	432.88	2.80	-42.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020275385	1	53	-1.0	-45.41	432.94	2.82	-42.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020275385	1	54	0.0	-69.05	430.54	5.10	-63.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020275386	0	44	-1.0	-39.19	351.08	4.98	-34.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020275386	1	44	-1.0	-39.22	351.14	4.99	-34.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020275387	0	41	-1.0	-40.54	344.62	5.08	-35.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020275387	1	41	-1.0	-40.59	344.68	5.10	-35.49
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS[C@H](C)C1	REAL300020275388	0	48	-1.0	-39.94	397.71	7.58	-32.36
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS[C@H](C)C1	REAL300020275388	1	48	-1.0	-39.87	397.75	7.57	-32.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020275389	0	46	-1.0	-40.98	376.41	4.00	-36.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020275389	1	46	-1.0	-40.94	376.47	4.02	-36.92
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020275390	0	43	-1.0	-42.87	349.44	3.31	-39.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020275390	1	43	-1.0	-42.89	349.49	3.32	-39.57
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020275391	0	50	-1.0	-40.86	406.54	6.15	-34.71
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020275391	1	50	-1.0	-40.83	406.58	6.13	-34.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020275392	0	51	-1.0	-41.23	413.25	5.34	-35.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020275392	1	51	-1.0	-41.27	413.30	5.35	-35.92
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020275392	1	52	0.0	-59.01	406.95	4.59	-54.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020275393	0	48	-1.0	-44.90	367.78	3.05	-41.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020275393	1	48	-1.0	-44.91	367.83	3.06	-41.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020275393	1	49	0.0	-46.88	378.27	4.66	-42.22
COCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1CCOCC1	REAL300020275394	0	54	-1.0	-41.62	405.60	3.86	-37.76
COCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1CCOCC1	REAL300020275394	1	54	-1.0	-41.62	405.66	3.87	-37.75
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CCOCC1	REAL300020275395	0	51	-1.0	-43.71	391.56	3.38	-40.33
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CCOCC1	REAL300020275395	1	51	-1.0	-43.71	391.61	3.41	-40.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C=CC1C2	REAL300020275396	0	42	-1.0	-40.86	341.96	5.24	-35.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C=CC1C2	REAL300020275396	1	42	-1.0	-40.88	342.01	5.25	-35.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C=CC1C2	REAL300020275397	0	39	-1.0	-43.75	320.36	4.45	-39.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C=CC1C2	REAL300020275397	1	39	-1.0	-43.73	320.30	4.43	-39.30
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020275398	0	46	-1.0	-41.91	371.49	7.15	-34.76
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020275398	1	46	-1.0	-41.89	371.53	7.15	-34.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020275399	0	54	-1.0	-41.13	415.33	5.95	-35.18
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020275399	1	54	-1.0	-41.09	415.39	5.97	-35.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020275400	0	51	-1.0	-43.42	389.78	5.23	-38.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020275400	1	51	-1.0	-43.40	389.84	5.25	-38.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020275401	0	51	-1.0	-42.22	395.08	8.06	-34.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020275401	1	51	-1.0	-42.23	395.13	8.07	-34.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020275402	0	48	-1.0	-42.93	382.76	7.48	-35.45
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020275402	1	48	-1.0	-42.99	382.70	7.46	-35.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020275403	0	53	-1.0	-43.83	425.54	4.83	-39.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020275403	1	53	-1.0	-43.82	425.59	4.86	-38.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020275404	0	52	-1.0	-41.74	405.11	4.11	-37.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020275404	1	52	-1.0	-41.76	405.17	4.13	-37.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020275405	0	49	-1.0	-44.76	382.52	3.64	-41.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020275405	1	49	-1.0	-44.73	382.58	3.66	-41.07
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020275406	0	48	-1.0	-39.79	384.53	6.75	-33.04
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020275406	1	48	-1.0	-39.84	384.58	6.77	-33.07
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020275407	0	45	-1.0	-41.14	357.31	6.68	-34.46
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020275407	1	45	-1.0	-41.14	357.37	6.70	-34.44
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020275408	0	52	-1.0	-41.72	409.28	9.11	-32.61
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020275408	1	52	-1.0	-41.73	409.33	9.10	-32.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020275409	0	51	-1.0	-45.12	411.78	2.15	-42.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020275409	1	51	-1.0	-45.16	411.83	2.18	-42.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020275410	0	57	-1.0	-42.52	426.37	6.37	-36.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020275410	1	57	-1.0	-42.50	426.43	6.39	-36.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020275411	0	42	-1.0	-41.51	364.08	4.83	-36.68
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020275411	1	42	-1.0	-41.51	364.14	4.85	-36.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020275412	0	39	-1.0	-44.60	342.34	4.03	-40.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020275412	1	39	-1.0	-44.61	342.41	4.05	-40.56
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=NS1	REAL300020275413	0	46	-1.0	-43.36	386.98	6.74	-36.62
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=NS1	REAL300020275413	1	46	-1.0	-43.39	387.01	6.73	-36.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020275414	0	43	-1.0	-40.30	347.37	5.13	-35.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020275414	1	43	-1.0	-40.30	347.42	5.14	-35.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020275415	0	40	-1.0	-42.17	329.37	4.52	-37.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020275415	1	40	-1.0	-42.18	329.42	4.55	-37.63
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020275416	0	47	-1.0	-41.28	379.36	7.13	-34.15
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020275416	1	47	-1.0	-41.27	379.39	7.12	-34.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020275417	0	47	-1.0	-40.62	384.94	4.01	-36.61
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020275417	1	47	-1.0	-40.59	384.99	4.03	-36.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020275418	0	44	-1.0	-41.14	370.09	3.35	-37.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020275418	1	44	-1.0	-41.13	370.15	3.38	-37.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020275419	0	46	-1.0	-39.41	375.63	6.13	-33.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020275419	1	46	-1.0	-39.38	375.69	6.14	-33.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020275420	0	43	-1.0	-45.34	354.85	5.16	-40.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020275420	1	43	-1.0	-45.32	354.91	5.18	-40.14
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020275421	0	50	-1.0	-42.95	402.85	8.13	-34.82
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020275421	1	50	-1.0	-42.98	402.92	8.12	-34.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020275422	0	43	-1.0	-39.26	352.46	5.42	-33.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020275422	1	43	-1.0	-39.21	352.52	5.43	-33.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020275423	0	40	-1.0	-41.01	334.56	4.52	-36.49
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020275423	1	40	-1.0	-41.02	334.61	4.54	-36.48
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020275424	0	47	-1.0	-40.25	383.01	7.27	-32.98
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020275424	1	47	-1.0	-40.21	383.04	7.27	-32.94
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020275425	0	51	-1.0	-47.08	404.62	4.75	-42.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020275425	1	51	-1.0	-47.10	404.68	4.77	-42.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020275426	0	48	-1.0	-54.79	375.97	3.93	-50.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020275426	1	48	-1.0	-54.76	376.03	3.95	-50.81
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020275427	0	46	-1.0	-43.85	384.97	5.06	-38.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020275427	1	46	-1.0	-43.84	385.03	5.08	-38.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020275428	0	43	-1.0	-45.88	362.87	4.53	-41.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020275428	1	43	-1.0	-45.85	362.93	4.55	-41.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020275429	0	56	-1.0	-40.21	432.97	8.97	-31.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020275429	1	56	-1.0	-40.19	433.03	8.99	-31.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020275430	0	53	-1.0	-44.16	396.60	7.45	-36.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020275430	1	53	-1.0	-44.16	396.65	7.47	-36.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020275431	0	47	-1.0	-40.61	400.29	7.43	-33.18
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020275431	1	47	-1.0	-40.61	400.34	7.44	-33.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020275432	0	44	-1.0	-45.10	365.62	5.74	-39.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020275432	1	44	-1.0	-45.05	365.67	5.75	-39.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020275433	0	53	-1.0	-40.31	409.29	7.56	-32.75
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020275433	1	53	-1.0	-40.32	409.35	7.58	-32.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020275434	0	50	-1.0	-42.51	392.60	6.74	-35.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020275434	1	50	-1.0	-42.52	392.55	6.71	-35.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020275435	0	56	0.0	-61.62	434.69	8.55	-53.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020275435	1	55	-1.0	-42.79	437.93	6.54	-36.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020275435	1	55	-1.0	-42.76	437.99	6.56	-36.20
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1OC	REAL300020275436	0	51	-1.0	-41.15	389.84	2.77	-38.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1OC	REAL300020275436	1	51	-1.0	-41.18	389.90	2.78	-38.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1OC	REAL300020275437	0	48	-1.0	-43.31	367.31	2.26	-41.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1OC	REAL300020275437	1	48	-1.0	-43.33	367.37	2.27	-41.06
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020275438	0	52	0.0	-62.96	396.90	6.13	-56.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020275438	1	52	0.0	-66.15	377.04	5.55	-60.60
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020275438	1	51	-1.0	-40.00	391.67	3.98	-36.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020275438	1	51	-1.0	-40.03	391.73	3.99	-36.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020275439	0	49	0.0	-61.00	375.34	5.33	-55.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020275439	1	49	0.0	-62.67	372.07	5.47	-57.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020275439	1	49	0.0	-60.98	375.40	5.36	-55.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020275439	1	49	0.0	-62.64	372.13	5.50	-57.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020275439	1	48	-1.0	-41.60	368.61	3.36	-38.24
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020275440	0	56	0.0	-68.61	417.59	8.22	-60.39
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020275440	1	56	0.0	-71.47	409.25	7.60	-63.87
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020275440	1	55	-1.0	-41.15	411.28	5.92	-35.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020275441	0	53	-1.0	-40.92	424.68	6.58	-34.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020275441	1	53	-1.0	-40.83	424.73	6.60	-34.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020275442	0	50	-1.0	-41.86	388.52	5.69	-36.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020275442	1	50	-1.0	-41.92	388.58	5.71	-36.21
CCCCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275443	0	63	-1.0	-41.27	497.99	10.14	-31.13
CCCCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275443	1	63	-1.0	-41.22	498.04	10.17	-31.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020275444	0	50	-1.0	-47.67	410.52	6.22	-41.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020275444	1	50	-1.0	-47.69	410.58	6.25	-41.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020275445	0	45	-1.0	-59.32	382.58	3.34	-55.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020275445	1	45	-1.0	-59.38	382.64	3.37	-56.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020275446	0	47	-1.0	-41.21	379.81	5.81	-35.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020275446	1	47	-1.0	-41.26	379.87	5.82	-35.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020275447	0	44	-1.0	-43.28	370.18	5.98	-37.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020275447	1	44	-1.0	-43.27	370.12	5.95	-37.32
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020275448	0	55	-1.0	-44.98	440.67	7.12	-37.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020275448	1	55	-1.0	-44.99	440.72	7.14	-37.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020275449	0	52	-1.0	-49.00	422.92	6.46	-42.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020275449	1	52	-1.0	-49.00	422.98	6.48	-42.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020275450	0	51	-1.0	-50.78	405.46	3.44	-47.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020275450	1	51	-1.0	-50.80	405.51	3.45	-47.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020275451	0	48	-1.0	-51.92	392.06	2.79	-49.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020275451	1	48	-1.0	-51.90	392.12	2.82	-49.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020275452	0	55	-1.0	-40.57	436.60	5.88	-34.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020275452	1	55	-1.0	-40.53	436.66	5.89	-34.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020275453	0	52	-1.0	-42.64	411.68	5.15	-37.49
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020275453	1	52	-1.0	-42.64	411.73	5.17	-37.47
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020275454	0	44	-1.0	-44.35	362.29	1.79	-42.56
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020275454	1	44	-1.0	-44.35	362.35	1.81	-42.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020275455	0	41	-1.0	-45.40	340.69	1.03	-44.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020275455	1	41	-1.0	-45.38	340.63	1.01	-44.37
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020275456	0	48	-1.0	-45.55	391.21	3.75	-41.80
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020275456	1	48	-1.0	-45.50	391.26	3.74	-41.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020275457	0	45	-1.0	-41.04	354.38	3.39	-37.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020275457	1	45	-1.0	-41.05	354.44	3.40	-37.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020275458	0	42	-1.0	-42.86	330.14	2.86	-40.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020275458	1	42	-1.0	-42.88	330.20	2.88	-40.00
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020275459	0	49	-1.0	-42.21	382.04	5.35	-36.86
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020275459	1	49	-1.0	-42.14	382.07	5.34	-36.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020275460	0	50	-1.0	-43.08	410.89	8.12	-34.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020275460	1	50	-1.0	-43.08	410.95	8.15	-34.93
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020275461	0	51	-1.0	-46.97	418.61	4.78	-42.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020275461	1	51	-1.0	-46.97	418.67	4.79	-42.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020275462	0	48	-1.0	-48.54	397.89	3.79	-44.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020275462	1	48	-1.0	-48.52	397.95	3.82	-44.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020275463	0	51	-1.0	-50.22	403.25	3.18	-47.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020275463	1	51	-1.0	-50.22	403.31	3.20	-47.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020275464	0	48	-1.0	-53.10	377.63	2.46	-50.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020275464	1	48	-1.0	-53.10	377.68	2.48	-50.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020275465	0	48	-1.0	-44.34	391.53	6.40	-37.94
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020275465	1	48	-1.0	-44.38	391.59	6.41	-37.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020275466	0	53	-1.0	-45.75	427.32	3.72	-42.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020275466	1	53	-1.0	-45.73	427.38	3.74	-41.99
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020275467	0	51	-1.0	-46.91	420.52	4.36	-42.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020275467	1	51	-1.0	-46.90	420.58	4.38	-42.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020275468	0	48	-1.0	-47.92	399.01	3.57	-44.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020275468	1	48	-1.0	-47.93	399.07	3.59	-44.34
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020275469	0	46	-1.0	-39.76	378.96	5.91	-33.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020275469	1	46	-1.0	-39.77	379.02	5.93	-33.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020275470	0	43	-1.0	-42.30	352.05	5.24	-37.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020275470	1	43	-1.0	-42.31	352.12	5.26	-37.05
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020275471	0	50	-1.0	-41.92	395.51	6.76	-35.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020275471	1	50	-1.0	-41.95	395.56	6.78	-35.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020275472	0	47	-1.0	-43.09	368.65	6.53	-36.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020275472	1	47	-1.0	-43.10	368.59	6.51	-36.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020275473	0	49	-1.0	-45.60	411.93	4.05	-41.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020275473	1	49	-1.0	-45.59	411.88	4.03	-41.56
CCOC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC12COC2	REAL300020275474	0	51	-1.0	-48.30	413.79	4.16	-44.14
CCOC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC12COC2	REAL300020275474	1	51	-1.0	-48.33	413.85	4.18	-44.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020275475	0	50	-1.0	-48.74	409.25	3.04	-45.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020275475	1	50	-1.0	-48.74	409.31	3.06	-45.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020275476	0	47	-1.0	-51.06	387.76	2.26	-48.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020275476	1	47	-1.0	-51.10	387.82	2.28	-48.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020275477	0	49	-1.0	-42.04	409.95	5.65	-36.39
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020275477	1	49	-1.0	-42.08	410.01	5.67	-36.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020275478	0	46	-1.0	-44.96	387.25	5.00	-39.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020275478	1	46	-1.0	-44.94	387.30	5.02	-39.92
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020275479	0	50	-1.0	-57.35	396.80	2.19	-55.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020275479	1	50	-1.0	-57.37	396.86	2.21	-55.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020275480	0	49	-1.0	-52.32	404.87	0.74	-51.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020275480	1	49	-1.0	-52.36	404.92	0.75	-51.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020275481	0	46	-1.0	-53.49	387.65	-0.12	-53.61
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020275481	1	46	-1.0	-53.52	387.70	-0.10	-53.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020275482	0	44	-1.0	-42.61	369.66	3.65	-38.96
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020275482	1	44	-1.0	-42.63	369.72	3.66	-38.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020275483	0	41	-1.0	-42.71	352.58	2.99	-39.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020275483	1	41	-1.0	-42.75	352.64	3.01	-39.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020275484	0	47	-1.0	-46.99	387.32	2.37	-44.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020275484	1	47	-1.0	-46.98	387.38	2.38	-44.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020275485	0	44	-1.0	-52.85	361.58	1.51	-51.34
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020275485	1	44	-1.0	-52.90	361.63	1.54	-51.36
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020275486	0	59	0.0	-62.99	428.48	7.44	-55.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020275486	1	59	0.0	-62.92	428.54	7.46	-55.46
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020275487	0	48	-1.0	-43.11	389.43	5.77	-37.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020275487	1	48	-1.0	-43.14	389.49	5.78	-37.36
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020275488	0	45	-1.0	-46.20	367.64	5.17	-41.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020275488	1	45	-1.0	-46.19	367.70	5.18	-41.01
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020275489	0	52	-1.0	-45.40	409.99	7.76	-37.64
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020275489	1	52	-1.0	-45.36	410.02	7.75	-37.61
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020275490	0	49	-1.0	-39.02	418.22	7.58	-31.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020275490	1	49	-1.0	-39.00	418.28	7.59	-31.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020275491	0	46	-1.0	-40.83	396.71	6.79	-34.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020275491	1	46	-1.0	-40.82	396.77	6.82	-34.00
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020275492	0	48	-1.0	-46.57	392.76	5.85	-40.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020275492	1	48	-1.0	-46.60	392.81	5.87	-40.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020275493	0	45	-1.0	-49.87	368.56	4.99	-44.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020275493	1	45	-1.0	-49.86	368.62	5.01	-44.85
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020275494	0	52	-1.0	-48.05	411.17	7.71	-40.34
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020275494	1	52	-1.0	-47.99	411.21	7.70	-40.29
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020275495	0	53	-1.0	-42.24	408.55	3.73	-38.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020275495	1	53	-1.0	-42.23	408.61	3.74	-38.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020275496	0	50	-1.0	-42.29	390.78	3.05	-39.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020275496	1	50	-1.0	-42.32	390.84	3.08	-39.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020275497	0	54	-1.0	-39.63	400.23	8.58	-31.05
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020275497	1	54	-1.0	-39.64	400.29	8.59	-31.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020275498	0	51	-1.0	-40.91	385.21	7.94	-32.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020275498	1	51	-1.0	-40.90	385.25	7.96	-32.94
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020275499	0	58	-1.0	-40.78	431.59	10.64	-30.14
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020275499	1	58	-1.0	-40.79	431.61	10.64	-30.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020275500	0	48	-1.0	-42.15	390.31	0.90	-41.25
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020275500	1	48	-1.0	-42.16	390.37	0.91	-41.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020275501	0	45	-1.0	-44.66	372.58	0.23	-44.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020275501	1	45	-1.0	-44.69	372.63	0.27	-44.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020275502	0	51	-1.0	-42.86	401.45	1.02	-41.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020275502	1	51	-1.0	-42.83	401.50	1.03	-41.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020275503	0	48	-1.0	-44.36	376.24	0.35	-44.01
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020275503	1	48	-1.0	-44.36	376.30	0.37	-43.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020275504	0	51	-1.0	-49.47	411.91	4.43	-45.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020275504	1	51	-1.0	-49.50	411.97	4.45	-45.05
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020275505	0	45	-1.0	-43.04	367.08	5.56	-37.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020275505	1	45	-1.0	-42.99	367.14	5.57	-37.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020275506	0	42	-1.0	-45.62	344.93	5.36	-40.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020275506	1	42	-1.0	-45.60	344.87	5.35	-40.25
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020275507	0	49	-1.0	-43.70	394.52	8.11	-35.59
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020275507	1	49	-1.0	-43.71	394.57	8.10	-35.61
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020275508	0	53	-1.0	-44.30	430.18	6.58	-37.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020275508	1	53	-1.0	-44.34	430.24	6.59	-37.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020275509	0	50	-1.0	-45.42	405.34	5.66	-39.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020275509	1	50	-1.0	-45.41	405.40	5.67	-39.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020275510	0	44	-1.0	-43.51	366.16	5.36	-38.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020275510	1	44	-1.0	-43.50	366.22	5.38	-38.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020275511	0	41	-1.0	-45.97	348.05	4.70	-41.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020275511	1	41	-1.0	-45.95	348.11	4.73	-41.22
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020275512	0	48	-1.0	-45.88	385.42	7.55	-38.33
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020275512	1	48	-1.0	-45.84	385.52	7.54	-38.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020275513	0	51	-1.0	-41.99	390.36	5.18	-36.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020275513	1	51	-1.0	-42.00	390.41	5.20	-36.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020275514	0	48	-1.0	-43.39	380.85	4.64	-38.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020275514	1	48	-1.0	-43.41	380.91	4.65	-38.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020275515	0	44	-1.0	-44.00	370.03	5.85	-38.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020275515	1	44	-1.0	-44.00	370.09	5.87	-38.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020275516	0	41	-1.0	-46.02	346.91	4.88	-41.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020275516	1	41	-1.0	-45.93	346.96	4.91	-41.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020275517	0	53	-1.0	-40.34	421.67	8.84	-31.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020275517	1	53	-1.0	-40.33	421.73	8.86	-31.47
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020275518	0	50	-1.0	-43.56	393.68	8.09	-35.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020275518	1	50	-1.0	-43.55	393.63	8.08	-35.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020275519	0	47	-1.0	-46.10	386.08	7.22	-38.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020275519	1	47	-1.0	-46.10	386.14	7.24	-38.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020275520	0	48	-1.0	-43.26	391.78	2.28	-40.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020275520	1	48	-1.0	-43.27	391.84	2.30	-40.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020275521	0	45	-1.0	-44.02	364.90	1.60	-42.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020275521	1	45	-1.0	-44.01	364.96	1.62	-42.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020275522	0	45	-1.0	-41.09	354.21	3.68	-37.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020275522	1	45	-1.0	-41.10	354.26	3.69	-37.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020275523	0	42	-1.0	-43.36	330.55	3.15	-40.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020275523	1	42	-1.0	-43.40	330.60	3.17	-40.23
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020275524	0	49	-1.0	-44.42	386.24	5.82	-38.60
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020275524	1	49	-1.0	-44.45	386.28	5.81	-38.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020275525	0	47	-1.0	-42.14	380.67	6.21	-35.93
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020275525	1	47	-1.0	-42.20	380.73	6.23	-35.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020275526	0	44	-1.0	-46.17	353.98	5.45	-40.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020275526	1	44	-1.0	-46.16	354.04	5.47	-40.69
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020275527	0	51	-1.0	-43.45	404.41	8.80	-34.65
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020275527	1	51	-1.0	-43.38	404.44	8.80	-34.58
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C[C@@H]1CC	REAL300020275528	0	52	-1.0	-41.98	424.49	6.45	-35.53
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C[C@@H]1CC	REAL300020275528	1	52	-1.0	-41.99	424.55	6.47	-35.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020275529	0	52	-1.0	-43.75	416.83	5.96	-37.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020275529	1	52	-1.0	-43.76	416.89	5.99	-37.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020275530	0	44	-1.0	-42.56	366.45	5.89	-36.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020275530	1	44	-1.0	-42.58	366.50	5.92	-36.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020275531	0	45	-1.0	-40.80	367.28	5.79	-35.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020275531	1	45	-1.0	-40.83	367.34	5.81	-35.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020275532	0	42	-1.0	-42.42	345.78	5.01	-37.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020275532	1	42	-1.0	-42.43	345.84	5.04	-37.39
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020275533	0	49	-1.0	-42.01	395.68	7.78	-34.23
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020275533	1	49	-1.0	-41.94	395.72	7.77	-34.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020275534	0	48	-1.0	-44.77	398.14	3.34	-41.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020275534	1	48	-1.0	-44.76	398.20	3.35	-41.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020275535	0	45	-1.0	-47.73	373.90	2.64	-45.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020275535	1	45	-1.0	-47.75	373.97	2.66	-45.09
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCOC)C[C@@H]21	REAL300020275536	0	53	-1.0	-43.29	419.17	7.36	-35.93
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCOC)C[C@@H]21	REAL300020275536	1	53	-1.0	-43.27	419.22	7.37	-35.90
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCOC)C[C@@H]21	REAL300020275537	0	50	-1.0	-47.51	400.38	6.71	-40.80
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCOC)C[C@@H]21	REAL300020275537	1	50	-1.0	-47.51	400.43	6.73	-40.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020275538	0	44	-1.0	-39.61	368.41	5.31	-34.30
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020275538	1	44	-1.0	-39.61	368.47	5.32	-34.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020275539	0	41	-1.0	-42.49	351.78	4.66	-37.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020275539	1	41	-1.0	-42.47	351.84	4.69	-37.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020275540	0	49	-1.0	-46.33	411.98	5.58	-40.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020275540	1	49	-1.0	-46.32	412.03	5.60	-40.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020275541	0	56	-1.0	-43.13	444.24	9.74	-33.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020275541	1	56	-1.0	-43.16	444.30	9.75	-33.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020275542	0	56	-1.0	-43.31	427.29	7.65	-35.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020275542	1	56	-1.0	-43.33	427.34	7.68	-35.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020275543	0	46	-1.0	-43.16	381.58	5.71	-37.45
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020275543	1	46	-1.0	-43.16	381.63	5.73	-37.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020275544	0	43	-1.0	-45.49	338.12	5.34	-40.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020275544	1	43	-1.0	-45.51	338.18	5.37	-40.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020275545	0	49	-1.0	-48.09	393.18	2.73	-45.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020275545	1	49	-1.0	-48.11	393.24	2.75	-45.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020275546	0	47	-1.0	-39.51	378.05	4.31	-35.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020275546	1	47	-1.0	-39.49	378.10	4.32	-35.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020275547	0	44	-1.0	-41.70	356.26	3.71	-37.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020275547	1	44	-1.0	-41.70	356.31	3.72	-37.98
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020275548	0	51	-1.0	-41.31	398.60	6.30	-35.01
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020275548	1	51	-1.0	-41.27	398.63	6.29	-34.98
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020275549	0	54	-1.0	-39.93	432.36	7.52	-32.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020275549	1	54	-1.0	-39.97	432.42	7.54	-32.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020275550	0	51	-1.0	-42.28	414.49	6.83	-35.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020275550	1	51	-1.0	-42.25	414.56	6.86	-35.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020275551	0	46	-1.0	-43.32	376.70	3.59	-39.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020275551	1	46	-1.0	-43.31	376.76	3.60	-39.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020275552	0	43	-1.0	-44.48	358.93	2.95	-41.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020275552	1	43	-1.0	-44.44	358.87	2.92	-41.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020275553	0	47	-1.0	-43.02	377.22	6.30	-36.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020275553	1	47	-1.0	-43.05	377.28	6.32	-36.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020275554	0	52	-1.0	-49.53	406.63	2.73	-46.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020275554	1	52	-1.0	-49.51	406.68	2.74	-46.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020275555	0	52	-1.0	-45.55	411.23	5.98	-39.57
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020275555	1	52	-1.0	-45.55	411.29	5.99	-39.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020275556	0	49	-1.0	-45.99	389.12	5.44	-40.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020275556	1	49	-1.0	-45.99	389.18	5.46	-40.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020275557	0	54	-1.0	-41.17	433.41	6.02	-35.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020275557	1	54	-1.0	-41.16	433.47	6.04	-35.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020275558	0	51	-1.0	-42.93	411.46	5.42	-37.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020275558	1	51	-1.0	-42.99	411.51	5.43	-37.56
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275559	0	59	0.0	-65.92	431.59	7.63	-58.29
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275559	1	59	0.0	-65.98	431.65	7.64	-58.34
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275560	0	56	0.0	-66.38	398.95	6.15	-60.23
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275560	1	56	0.0	-66.38	399.01	6.17	-60.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020275561	0	52	-1.0	-50.56	411.69	3.36	-47.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020275561	1	52	-1.0	-50.56	411.74	3.39	-47.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020275562	0	52	-1.0	-39.75	390.42	6.58	-33.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020275562	1	52	-1.0	-39.72	390.48	6.60	-33.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020275563	0	49	-1.0	-42.98	374.08	5.96	-37.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020275563	1	49	-1.0	-43.00	374.13	5.99	-37.01
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020275564	0	56	-1.0	-40.94	425.65	8.77	-32.17
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020275564	1	56	-1.0	-40.95	425.69	8.76	-32.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020275565	0	55	-1.0	-41.89	442.90	7.59	-34.30
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020275565	1	55	-1.0	-41.92	442.96	7.60	-34.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020275566	0	52	-1.0	-45.11	421.86	6.81	-38.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020275566	1	52	-1.0	-45.15	421.92	6.81	-38.34
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020275567	0	53	-1.0	-45.25	430.19	6.57	-38.68
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020275567	1	53	-1.0	-45.25	430.25	6.59	-38.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020275568	0	50	-1.0	-46.79	408.94	5.79	-41.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020275568	1	50	-1.0	-46.79	408.99	5.81	-40.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020275569	0	49	-1.0	-43.04	412.20	6.13	-36.91
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020275569	1	49	-1.0	-43.09	412.26	6.16	-36.93
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020275570	0	55	-1.0	-44.65	441.50	0.28	-44.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020275570	1	55	-1.0	-44.65	441.56	0.30	-44.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020275571	0	52	-1.0	-47.30	422.57	-0.43	-47.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020275571	1	52	-1.0	-47.32	422.63	-0.41	-47.73
C=CCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275572	0	51	-1.0	-42.02	405.97	4.01	-38.01
C=CCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275572	1	51	-1.0	-42.01	406.03	4.03	-37.98
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275573	0	48	-1.0	-43.90	387.03	3.31	-40.59
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275573	1	48	-1.0	-43.85	387.09	3.34	-40.51
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCF	REAL300020275574	0	42	-1.0	-40.37	346.80	4.93	-35.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCF	REAL300020275574	1	42	-1.0	-40.37	346.86	4.95	-35.42
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCF	REAL300020275575	0	46	-1.0	-41.02	382.45	6.82	-34.20
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCF	REAL300020275575	1	46	-1.0	-41.01	382.50	6.81	-34.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020275576	0	50	-1.0	-40.48	404.77	7.58	-32.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020275576	1	50	-1.0	-40.49	404.82	7.60	-32.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020275577	0	50	-1.0	-45.40	406.27	7.99	-37.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020275577	1	50	-1.0	-45.36	406.22	7.98	-37.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020275578	0	47	-1.0	-47.16	379.44	7.31	-39.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020275578	1	47	-1.0	-47.13	379.39	7.30	-39.83
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020275579	0	47	-1.0	-38.81	393.94	4.79	-34.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020275579	1	47	-1.0	-38.89	394.00	4.81	-34.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020275580	0	44	-1.0	-40.49	372.16	4.19	-36.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020275580	1	44	-1.0	-40.51	372.21	4.21	-36.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020275581	0	51	-1.0	-46.16	415.21	4.43	-41.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020275581	1	51	-1.0	-46.19	415.27	4.45	-41.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020275582	0	56	-1.0	-40.36	424.70	7.66	-32.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020275582	1	56	-1.0	-40.31	424.75	7.67	-32.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020275583	0	53	-1.0	-43.94	407.51	8.03	-35.91
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020275583	1	53	-1.0	-43.99	407.57	8.06	-35.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020275584	0	52	-1.0	-47.92	414.30	5.27	-42.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020275584	1	52	-1.0	-47.87	414.35	5.30	-42.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020275585	0	53	-1.0	-40.62	432.43	8.83	-31.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020275585	1	53	-1.0	-40.61	432.49	8.84	-31.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020275586	0	50	-1.0	-42.91	414.86	8.24	-34.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020275586	1	50	-1.0	-42.94	414.90	8.26	-34.68
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020275587	0	57	-1.0	-40.46	434.46	6.47	-33.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020275587	1	57	-1.0	-40.49	434.52	6.49	-34.00
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020275588	0	54	-1.0	-43.45	416.92	5.62	-37.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020275588	1	54	-1.0	-43.48	416.98	5.64	-37.84
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020275589	0	48	-1.0	-46.64	394.89	-0.77	-47.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020275589	1	48	-1.0	-46.67	394.95	-0.75	-47.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020275590	0	45	-1.0	-47.83	372.31	-1.35	-49.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020275590	1	45	-1.0	-47.86	372.38	-1.32	-49.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020275591	0	45	-1.0	-57.14	375.30	1.29	-55.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020275591	1	45	-1.0	-57.14	375.35	1.32	-55.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020275592	0	47	-1.0	-42.37	375.29	6.10	-36.27
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020275592	1	47	-1.0	-42.35	375.35	6.12	-36.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020275593	0	44	-1.0	-44.78	355.89	5.73	-39.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020275593	1	44	-1.0	-44.76	355.95	5.75	-39.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020275594	0	49	-1.0	-43.92	410.51	5.85	-38.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020275594	1	49	-1.0	-43.90	410.57	5.88	-38.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020275595	0	46	-1.0	-47.50	384.89	3.88	-43.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020275595	1	46	-1.0	-47.45	384.95	3.90	-43.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020275596	0	43	-1.0	-46.67	370.44	2.91	-43.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020275596	1	43	-1.0	-46.70	370.38	2.88	-43.82
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CCCC2=CC=CC=C21	REAL300020275597	0	52	-1.0	-43.52	424.33	9.07	-34.45
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CCCC2=CC=CC=C21	REAL300020275597	1	52	-1.0	-43.48	424.27	9.05	-34.43
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020275598	0	49	-1.0	-41.50	424.41	5.87	-35.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020275598	1	49	-1.0	-41.50	424.47	5.89	-35.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020275599	0	46	-1.0	-46.53	395.34	5.15	-41.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020275599	1	46	-1.0	-46.49	395.39	5.17	-41.32
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020275600	0	47	-1.0	-46.02	388.75	7.32	-38.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020275600	1	47	-1.0	-46.02	388.70	7.31	-38.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020275601	0	44	-1.0	-47.71	361.92	6.64	-41.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020275601	1	44	-1.0	-47.68	361.87	6.62	-41.06
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020275602	0	44	-1.0	-39.18	369.67	2.72	-36.46
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020275602	1	44	-1.0	-39.14	369.72	2.74	-36.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020275603	0	41	-1.0	-40.01	346.28	2.26	-37.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020275603	1	41	-1.0	-40.02	346.34	2.28	-37.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020275604	0	53	-1.0	-41.66	410.25	6.33	-35.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020275604	1	53	-1.0	-41.64	410.20	6.32	-35.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020275605	0	50	-1.0	-46.78	385.18	6.06	-40.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020275605	1	50	-1.0	-46.79	385.12	6.04	-40.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020275606	0	50	-1.0	-39.27	374.53	7.53	-31.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020275606	1	50	-1.0	-39.30	374.59	7.54	-31.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020275607	0	47	-1.0	-43.25	358.17	6.95	-36.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020275607	1	47	-1.0	-43.25	358.22	6.97	-36.28
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020275608	0	54	-1.0	-39.68	404.72	10.05	-29.63
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020275608	1	54	-1.0	-39.66	404.74	10.05	-29.61
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020275609	0	53	0.0	-66.46	397.25	6.51	-59.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020275609	1	53	0.0	-66.66	405.27	6.25	-60.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020275609	1	53	0.0	-66.47	397.31	6.52	-59.95
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020275609	1	53	0.0	-66.66	405.33	6.26	-60.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020275610	0	50	0.0	-65.80	375.24	5.97	-59.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020275610	1	50	0.0	-69.15	378.49	5.57	-63.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020275610	1	50	0.0	-65.79	375.30	5.99	-59.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020275610	1	50	0.0	-69.21	378.54	5.59	-63.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020275611	0	51	-1.0	-43.42	393.52	2.35	-41.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020275611	1	51	-1.0	-43.41	393.57	2.36	-41.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020275612	0	48	-1.0	-43.31	384.88	1.87	-41.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020275612	1	48	-1.0	-43.37	384.93	1.89	-41.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020275613	0	52	-1.0	-39.14	406.26	7.48	-31.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020275613	1	52	-1.0	-39.16	406.32	7.50	-31.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020275614	0	49	-1.0	-41.51	385.42	6.92	-34.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020275614	1	49	-1.0	-41.51	385.35	6.91	-34.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020275615	0	49	-1.0	-46.33	411.98	5.58	-40.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020275615	1	49	-1.0	-46.32	412.03	5.60	-40.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020275616	0	44	-1.0	-41.89	397.00	6.38	-35.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020275616	1	44	-1.0	-41.88	397.06	6.40	-35.48
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020275617	0	41	-1.0	-43.94	375.51	5.60	-38.34
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020275617	1	41	-1.0	-43.97	375.57	5.62	-38.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020275618	0	52	-1.0	-48.02	415.50	0.42	-47.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020275618	1	52	-1.0	-48.04	415.56	0.43	-47.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020275619	0	49	-1.0	-47.61	393.93	-0.34	-47.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020275619	1	49	-1.0	-47.64	393.99	-0.32	-47.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020275620	0	44	-1.0	-40.90	344.39	5.48	-35.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020275620	1	44	-1.0	-40.92	344.45	5.50	-35.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020275621	0	41	-1.0	-42.50	322.44	5.07	-37.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020275621	1	41	-1.0	-42.51	322.38	5.05	-37.46
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020275622	0	48	-1.0	-41.75	377.49	7.63	-34.12
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020275622	1	48	-1.0	-41.71	377.51	7.62	-34.09
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020275623	0	51	-1.0	-54.06	413.19	0.69	-53.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020275623	1	51	-1.0	-54.08	413.24	0.70	-53.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020275624	0	48	-1.0	-56.03	396.41	0.03	-56.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020275624	1	48	-1.0	-56.01	396.47	0.06	-55.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020275625	0	52	-1.0	-41.01	386.90	6.85	-34.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020275625	1	52	-1.0	-41.01	386.96	6.86	-34.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020275626	0	49	-1.0	-43.48	364.66	6.31	-37.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020275626	1	49	-1.0	-43.44	364.71	6.33	-37.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020275627	0	54	-1.0	-41.02	397.04	7.14	-33.88
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020275627	1	54	-1.0	-41.02	397.10	7.16	-33.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020275628	0	51	-1.0	-43.31	374.45	6.66	-36.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020275628	1	51	-1.0	-43.33	374.51	6.68	-36.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020275629	0	47	-1.0	-48.85	383.93	1.96	-46.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020275629	1	47	-1.0	-48.85	383.99	1.97	-46.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020275630	0	44	-1.0	-49.41	364.86	1.31	-48.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020275630	1	44	-1.0	-49.40	364.92	1.33	-48.07
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020275631	0	54	-1.0	-41.32	432.33	8.63	-32.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020275631	1	54	-1.0	-41.36	432.38	8.64	-32.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020275632	0	51	-1.0	-42.41	410.25	8.09	-34.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020275632	1	51	-1.0	-42.39	410.31	8.11	-34.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020275633	0	49	-1.0	-42.88	389.24	4.08	-38.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020275633	1	49	-1.0	-42.92	389.30	4.10	-38.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020275634	0	46	-1.0	-45.39	369.79	3.29	-42.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020275634	1	46	-1.0	-45.40	369.84	3.31	-42.09
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020275635	0	46	-1.0	-49.20	372.93	2.79	-46.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020275635	1	46	-1.0	-49.17	372.98	2.81	-46.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020275636	0	43	-1.0	-46.72	356.65	3.09	-43.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020275636	1	43	-1.0	-46.68	356.59	3.07	-43.61
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020275637	0	49	-1.0	-44.81	396.70	5.91	-38.90
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020275637	1	49	-1.0	-44.78	396.76	5.93	-38.85
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020275638	0	46	-1.0	-43.74	369.64	5.23	-38.51
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020275638	1	46	-1.0	-43.78	369.69	5.25	-38.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020275639	0	49	-1.0	-52.23	400.66	2.09	-50.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020275639	1	49	-1.0	-52.27	400.71	2.10	-50.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020275640	0	46	-1.0	-54.59	379.21	1.31	-53.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020275640	1	46	-1.0	-54.57	379.26	1.34	-53.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020275641	0	52	-1.0	-53.24	406.44	3.08	-50.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020275641	1	52	-1.0	-53.18	406.49	3.09	-50.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020275642	0	49	-1.0	-55.32	390.48	2.49	-52.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020275642	1	49	-1.0	-55.32	390.53	2.52	-52.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020275643	0	52	-1.0	-49.11	413.41	3.34	-45.77
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020275643	1	52	-1.0	-49.12	413.47	3.36	-45.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020275644	0	49	-1.0	-51.56	391.46	2.74	-48.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020275644	1	49	-1.0	-51.58	391.51	2.76	-48.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020275645	0	56	-1.0	-48.20	444.74	5.06	-43.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020275645	1	56	-1.0	-48.20	444.79	5.09	-43.11
CCS(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275646	0	51	-1.0	-44.49	422.48	2.46	-42.03
CCS(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275646	1	51	-1.0	-44.46	422.54	2.48	-41.98
CCS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275647	0	48	-1.0	-46.18	404.80	1.76	-44.42
CCS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275647	1	48	-1.0	-46.20	404.85	1.78	-44.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020275648	0	48	-1.0	-47.63	376.31	1.47	-46.16
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020275648	1	48	-1.0	-47.65	376.37	1.49	-46.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020275649	0	45	-1.0	-49.45	354.76	0.88	-48.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020275649	1	45	-1.0	-49.45	354.68	0.86	-48.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020275650	0	48	-1.0	-48.91	396.30	0.02	-48.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020275650	1	48	-1.0	-48.91	396.36	0.03	-48.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020275651	0	45	-1.0	-49.75	377.22	-0.59	-50.34
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020275651	1	45	-1.0	-49.71	377.28	-0.56	-50.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020275652	0	44	-1.0	-47.19	378.01	5.15	-42.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020275652	1	44	-1.0	-47.14	377.96	5.12	-42.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CSC)CC1	REAL300020275653	0	50	-1.0	-40.36	409.68	6.86	-33.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CSC)CC1	REAL300020275653	1	50	-1.0	-40.36	409.74	6.87	-33.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC)CC1	REAL300020275654	0	47	-1.0	-42.95	387.74	6.25	-36.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC)CC1	REAL300020275654	1	47	-1.0	-42.94	387.79	6.27	-36.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020275655	0	45	-1.0	-48.92	374.12	1.23	-47.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020275655	1	45	-1.0	-48.94	374.18	1.26	-47.68
CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020275656	0	47	-1.0	-41.70	371.29	4.09	-37.61
CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020275656	1	47	-1.0	-41.73	371.34	4.10	-37.63
CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020275657	0	44	-1.0	-42.18	343.59	3.21	-38.97
CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020275657	1	44	-1.0	-42.17	343.64	3.21	-38.96
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020275658	0	51	-1.0	-42.65	403.79	6.20	-36.45
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020275658	1	51	-1.0	-42.60	403.82	6.19	-36.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020275659	0	44	-1.0	-42.27	382.82	4.60	-37.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020275659	1	44	-1.0	-42.25	382.88	4.63	-37.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020275660	0	51	-1.0	-41.34	417.08	6.45	-34.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020275660	1	51	-1.0	-41.37	417.13	6.47	-34.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020275661	0	48	-1.0	-48.34	388.13	4.85	-43.49
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020275661	1	48	-1.0	-48.36	388.19	4.86	-43.50
CCN(CCC(=O)NC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275662	0	49	-1.0	-49.98	394.79	2.10	-47.88
CCN(CCC(=O)NC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275662	1	49	-1.0	-49.99	394.85	2.12	-47.87
CCN(CCC(=O)NC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275663	0	46	-1.0	-53.59	373.37	1.32	-52.27
CCN(CCC(=O)NC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275663	1	46	-1.0	-53.61	373.42	1.34	-52.27
CCN(CCC(=O)NC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275664	0	53	-1.0	-50.69	422.30	4.12	-46.57
CCN(CCC(=O)NC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275664	1	53	-1.0	-50.74	422.33	4.11	-46.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020275665	0	53	-1.0	-43.21	423.55	6.08	-37.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020275665	1	53	-1.0	-43.24	423.61	6.10	-37.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020275666	0	50	-1.0	-41.71	395.76	7.31	-34.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020275666	1	50	-1.0	-41.71	395.82	7.33	-34.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020275667	0	47	-1.0	-43.95	381.46	6.64	-37.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020275667	1	47	-1.0	-43.91	381.52	6.67	-37.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020275668	0	44	-1.0	-41.52	369.30	5.50	-36.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020275668	1	44	-1.0	-41.48	369.36	5.52	-35.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020275669	0	41	-1.0	-43.50	349.35	5.52	-37.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020275669	1	41	-1.0	-43.51	349.29	5.49	-38.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020275670	0	56	-1.0	-43.89	439.34	9.13	-34.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020275670	1	56	-1.0	-43.90	439.40	9.16	-34.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020275671	0	54	-1.0	-42.26	430.66	7.58	-34.68
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020275671	1	54	-1.0	-42.28	430.71	7.60	-34.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020275672	0	51	-1.0	-44.61	399.68	6.73	-37.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020275672	1	51	-1.0	-44.60	399.74	6.76	-37.84
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020275673	0	47	-1.0	-40.62	399.37	7.39	-33.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020275673	1	47	-1.0	-40.59	399.43	7.41	-33.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020275674	0	44	-1.0	-44.14	371.75	6.74	-37.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020275674	1	44	-1.0	-44.15	371.81	6.76	-37.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020275675	0	55	-1.0	-41.49	423.81	4.86	-36.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020275675	1	55	-1.0	-41.47	423.87	4.87	-36.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020275676	0	52	-1.0	-44.09	406.42	4.43	-39.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020275676	1	52	-1.0	-44.10	406.48	4.45	-39.65
C#CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275677	0	47	-1.0	-39.84	389.48	6.81	-33.03
C#CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275677	1	47	-1.0	-39.87	389.54	6.83	-33.04
C#CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275678	0	44	-1.0	-43.07	365.25	5.66	-37.41
C#CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275678	1	44	-1.0	-43.09	365.19	5.65	-37.44
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275679	0	51	-1.0	-42.98	412.93	7.93	-35.05
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275679	1	51	-1.0	-42.98	412.98	7.92	-35.06
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020275680	0	52	-1.0	-42.61	422.00	7.94	-34.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020275680	1	52	-1.0	-42.65	422.05	7.95	-34.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020275681	0	49	-1.0	-44.33	406.12	7.05	-37.28
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020275681	1	49	-1.0	-44.30	406.06	7.03	-37.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020275682	0	52	-1.0	-42.61	422.00	7.94	-34.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020275682	1	52	-1.0	-42.65	422.05	7.95	-34.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020275683	0	49	-1.0	-44.33	406.12	7.05	-37.28
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020275683	1	49	-1.0	-44.30	406.06	7.03	-37.27
C=CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275684	0	50	-1.0	-41.09	389.93	6.50	-34.59
C=CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275684	1	50	-1.0	-41.11	389.99	6.51	-34.60
C=CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275685	0	47	-1.0	-43.07	373.28	5.86	-37.21
C=CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275685	1	47	-1.0	-43.08	373.33	5.88	-37.20
C=CCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275686	0	54	-1.0	-41.89	423.16	8.64	-33.25
C=CCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275686	1	54	-1.0	-41.90	423.19	8.64	-33.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020275687	0	55	-1.0	-44.74	443.65	7.69	-37.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020275687	1	55	-1.0	-44.75	443.71	7.71	-37.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020275688	0	47	-1.0	-42.16	349.42	4.79	-37.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020275688	1	47	-1.0	-42.09	349.47	4.80	-37.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020275689	0	44	-1.0	-43.81	327.00	4.29	-39.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020275689	1	44	-1.0	-43.82	327.05	4.29	-39.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020275690	0	54	-1.0	-46.43	430.43	4.01	-42.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020275690	1	54	-1.0	-46.45	430.48	4.03	-42.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020275691	0	51	-1.0	-47.54	404.78	3.29	-44.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020275691	1	51	-1.0	-47.57	404.84	3.31	-44.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020275692	0	48	-1.0	-44.06	397.14	6.79	-37.27
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020275692	1	48	-1.0	-44.03	397.20	6.81	-37.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020275693	0	45	-1.0	-45.67	376.60	5.97	-39.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020275693	1	45	-1.0	-45.72	376.56	5.95	-39.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020275694	0	51	-1.0	-48.76	422.21	4.07	-44.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020275694	1	51	-1.0	-48.83	422.26	4.08	-44.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020275695	0	48	-1.0	-52.39	389.82	2.28	-50.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020275695	1	48	-1.0	-52.42	389.87	2.31	-50.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020275696	0	50	-1.0	-40.04	390.64	6.84	-33.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020275696	1	50	-1.0	-40.04	390.70	6.85	-33.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020275697	0	47	-1.0	-41.55	372.12	6.30	-35.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020275697	1	47	-1.0	-41.58	372.17	6.31	-35.27
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020275698	0	54	-1.0	-40.88	415.96	8.86	-32.02
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020275698	1	54	-1.0	-40.89	416.01	8.85	-32.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020275699	0	50	-1.0	-48.13	404.16	2.91	-45.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020275699	1	50	-1.0	-48.19	404.22	2.93	-45.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020275700	0	47	-1.0	-49.04	382.66	2.13	-46.91
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020275700	1	47	-1.0	-49.09	382.71	2.15	-46.94
C#CCN(CCO)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275701	0	42	-1.0	-43.70	356.73	1.44	-42.26
C#CCN(CCO)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275701	1	42	-1.0	-43.68	356.79	1.46	-42.22
C#CCN(CCO)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275702	0	39	-1.0	-45.49	335.29	0.67	-44.82
C#CCN(CCO)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275702	1	39	-1.0	-45.43	335.23	0.65	-44.78
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275703	0	46	-1.0	-44.61	384.93	3.40	-41.21
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275703	1	46	-1.0	-44.60	384.97	3.38	-41.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020275704	0	54	-1.0	-39.68	444.16	9.42	-30.26
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020275704	1	54	-1.0	-39.67	444.22	9.43	-30.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020275705	0	51	-1.0	-42.81	416.60	8.74	-34.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020275705	1	51	-1.0	-42.84	416.65	8.77	-34.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020275706	0	54	-1.0	-43.67	434.00	7.33	-36.34
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020275706	1	54	-1.0	-43.67	434.05	7.36	-36.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020275707	0	47	-1.0	-41.28	364.43	6.38	-34.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020275707	1	47	-1.0	-41.28	364.49	6.40	-34.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020275708	0	44	-1.0	-42.25	337.55	5.71	-36.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020275708	1	44	-1.0	-42.27	337.61	5.73	-36.54
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020275709	0	51	-1.0	-41.86	392.11	8.36	-33.50
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020275709	1	51	-1.0	-41.89	392.14	8.35	-33.54
CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275710	0	49	-1.0	-40.26	381.92	5.45	-34.81
CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275710	1	49	-1.0	-40.28	381.98	5.47	-34.81
CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275711	0	46	-1.0	-43.33	359.74	4.94	-38.39
CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275711	1	46	-1.0	-43.32	359.80	4.97	-38.35
CCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275712	0	53	-1.0	-41.14	414.45	7.63	-33.51
CCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275712	1	53	-1.0	-41.10	414.49	7.62	-33.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020275713	0	50	-1.0	-47.68	400.34	2.39	-45.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020275713	1	50	-1.0	-47.65	400.40	2.40	-45.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020275714	0	47	-1.0	-49.24	378.83	1.90	-47.34
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020275714	1	47	-1.0	-49.25	378.88	1.92	-47.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020275715	0	49	-1.0	-43.62	401.83	4.43	-39.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020275715	1	49	-1.0	-43.63	401.78	4.42	-39.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020275716	0	46	-1.0	-48.16	377.80	3.90	-44.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020275716	1	46	-1.0	-48.17	377.75	3.88	-44.29
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020275717	0	51	-1.0	-42.14	403.16	5.31	-36.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020275717	1	51	-1.0	-42.06	403.22	5.33	-36.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020275718	0	48	-1.0	-44.85	381.61	4.53	-40.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020275718	1	48	-1.0	-44.85	381.67	4.55	-40.30
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C#CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275719	1	49	-1.0	-41.05	410.05	5.75	-35.30
C#CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275720	0	46	-1.0	-43.20	388.48	4.95	-38.25
C#CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275720	1	46	-1.0	-43.23	388.54	4.97	-38.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020275721	0	47	-1.0	-46.14	372.17	2.16	-43.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020275721	1	47	-1.0	-46.12	372.23	2.18	-43.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020275722	0	44	-1.0	-46.62	350.35	1.56	-45.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020275722	1	44	-1.0	-46.58	350.40	1.58	-45.00
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)CC1	REAL300020275723	0	51	-1.0	-46.87	404.25	4.61	-42.26
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)CC1	REAL300020275723	1	51	-1.0	-46.83	404.30	4.60	-42.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020275724	0	50	-1.0	-52.83	417.61	6.14	-46.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020275724	1	50	-1.0	-52.84	417.67	6.16	-46.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020275725	0	47	-1.0	-60.08	397.30	5.47	-54.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020275725	1	47	-1.0	-60.10	397.25	5.44	-54.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020275726	0	48	-1.0	-40.77	385.76	8.07	-32.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020275726	1	48	-1.0	-40.79	385.81	8.09	-32.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020275727	0	45	-1.0	-44.18	357.85	7.29	-36.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020275727	1	45	-1.0	-44.18	357.91	7.30	-36.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020275728	0	56	-1.0	-41.80	436.42	9.04	-32.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020275728	1	56	-1.0	-41.79	436.47	9.06	-32.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020275729	0	47	-1.0	-40.48	384.24	4.20	-36.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020275729	1	47	-1.0	-40.52	384.30	4.21	-36.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020275730	0	44	-1.0	-41.28	357.45	3.65	-37.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020275730	1	44	-1.0	-41.28	357.52	3.67	-37.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020275731	0	48	-1.0	-43.54	396.65	6.34	-37.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020275731	1	48	-1.0	-43.56	396.71	6.37	-37.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020275732	0	49	-1.0	-42.07	393.80	5.68	-36.39
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020275732	1	49	-1.0	-42.09	393.86	5.70	-36.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020275733	0	46	-1.0	-43.93	375.80	5.08	-38.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020275733	1	46	-1.0	-43.93	375.86	5.11	-38.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020275734	0	48	-1.0	-48.12	386.80	8.33	-39.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020275734	1	48	-1.0	-48.12	386.86	8.34	-39.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020275735	0	45	-1.0	-50.87	360.04	7.66	-43.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020275735	1	45	-1.0	-50.85	359.98	7.65	-43.20
CC[N@@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1(C)C	REAL300020275736	0	55	0.0	-60.65	413.99	6.96	-53.69
CC[N@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1(C)C	REAL300020275736	1	55	0.0	-61.48	410.25	6.84	-54.64
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1(C)C	REAL300020275736	1	55	0.0	-60.67	414.05	6.98	-53.69
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1(C)C	REAL300020275736	1	55	0.0	-61.49	410.30	6.86	-54.63
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1(C)C	REAL300020275737	0	52	0.0	-58.87	393.17	5.97	-52.90
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1(C)C	REAL300020275737	1	52	0.0	-59.01	389.31	6.02	-52.99
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1(C)C	REAL300020275737	1	52	0.0	-58.86	393.22	5.99	-52.87
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1(C)C	REAL300020275737	1	52	0.0	-59.00	389.36	6.05	-52.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020275738	0	54	-1.0	-45.38	427.95	8.05	-37.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020275738	1	54	-1.0	-45.42	428.00	8.06	-37.36
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020275739	0	51	-1.0	-49.84	406.37	7.26	-42.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020275739	1	51	-1.0	-49.85	406.43	7.29	-42.56
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020275740	0	44	-1.0	-39.32	358.49	5.61	-33.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020275740	1	44	-1.0	-39.31	358.54	5.62	-33.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020275741	0	41	-1.0	-42.09	340.47	4.97	-37.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020275741	1	41	-1.0	-42.10	340.41	4.95	-37.15
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020275742	0	48	-1.0	-41.00	385.00	7.69	-33.31
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020275742	1	48	-1.0	-41.04	385.06	7.68	-33.36
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020275743	0	50	-1.0	-46.15	408.03	7.96	-38.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020275743	1	50	-1.0	-46.20	408.09	7.98	-38.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020275744	0	53	-1.0	-39.50	395.28	7.33	-32.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020275744	1	53	-1.0	-39.49	395.33	7.34	-32.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020275745	0	50	-1.0	-42.00	378.86	6.75	-35.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020275745	1	50	-1.0	-41.99	378.91	6.78	-35.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020275746	0	47	-1.0	-46.12	380.23	4.58	-41.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020275746	1	47	-1.0	-46.17	380.28	4.59	-41.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020275747	0	44	-1.0	-43.56	363.45	4.22	-39.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020275747	1	44	-1.0	-43.57	363.39	4.19	-39.38
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1CCOCC1	REAL300020275748	0	52	-1.0	-40.70	410.77	4.85	-35.85
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1CCOCC1	REAL300020275748	1	52	-1.0	-40.74	410.83	4.86	-35.88
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CCOCC1	REAL300020275749	0	49	-1.0	-43.24	393.47	4.28	-38.96
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CCOCC1	REAL300020275749	1	49	-1.0	-43.21	393.53	4.30	-38.91
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1CCCC1	REAL300020275750	0	51	-1.0	-41.03	406.80	6.88	-34.15
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1CCCC1	REAL300020275750	1	51	-1.0	-40.98	406.86	6.89	-34.09
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CCCC1	REAL300020275751	0	48	-1.0	-44.32	386.27	6.22	-38.10
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CCCC1	REAL300020275751	1	48	-1.0	-44.32	386.33	6.25	-38.07
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020275752	0	54	-1.0	-43.08	440.34	6.79	-36.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020275752	1	54	-1.0	-43.06	440.39	6.81	-36.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020275753	0	51	-1.0	-44.62	415.50	5.87	-38.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020275753	1	51	-1.0	-44.62	415.55	5.89	-38.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020275754	0	44	-1.0	-40.61	380.16	6.99	-33.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020275754	1	44	-1.0	-40.63	380.21	7.00	-33.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020275755	0	41	-1.0	-42.47	363.69	5.86	-36.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020275755	1	41	-1.0	-42.45	363.63	5.83	-36.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020275756	0	47	-1.0	-50.65	377.42	2.00	-48.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020275756	1	47	-1.0	-50.63	377.48	2.01	-48.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020275757	0	44	-1.0	-55.28	357.99	1.62	-53.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020275757	1	44	-1.0	-55.28	358.05	1.64	-53.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020275758	0	47	-1.0	-41.44	369.30	6.00	-35.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020275758	1	47	-1.0	-41.42	369.36	6.02	-35.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020275759	0	44	-1.0	-43.92	347.22	5.47	-38.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020275759	1	44	-1.0	-43.99	347.28	5.48	-38.51
C=CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275760	0	49	-1.0	-40.15	391.05	5.92	-34.23
C=CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275760	1	49	-1.0	-40.14	391.11	5.93	-34.21
C=CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275761	0	46	-1.0	-43.13	369.69	5.15	-37.98
C=CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275761	1	46	-1.0	-43.13	369.63	5.13	-38.00
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275762	0	53	-1.0	-41.12	418.48	7.94	-33.18
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275762	1	53	-1.0	-41.11	418.53	7.94	-33.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020275763	0	48	-1.0	-40.33	381.89	6.12	-34.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020275763	1	48	-1.0	-40.37	381.95	6.13	-34.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020275764	0	45	-1.0	-42.32	359.14	5.55	-36.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020275764	1	45	-1.0	-42.34	359.19	5.57	-36.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020275765	0	56	-1.0	-42.86	441.33	9.21	-33.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020275765	1	56	-1.0	-42.84	441.38	9.24	-33.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020275766	0	56	-1.0	-41.55	443.95	9.26	-32.29
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020275766	1	56	-1.0	-41.52	444.01	9.28	-32.24
C#CC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275767	0	42	-1.0	-42.65	342.73	5.25	-37.40
C#CC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275767	1	42	-1.0	-42.63	342.78	5.26	-37.37
C#CC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275768	0	39	-1.0	-45.45	329.18	5.07	-40.38
C#CC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275768	1	39	-1.0	-45.42	329.13	5.05	-40.37
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275769	0	46	-1.0	-43.26	380.10	7.77	-35.49
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275769	1	46	-1.0	-43.20	380.13	7.76	-35.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020275770	0	48	-1.0	-43.93	403.59	5.82	-38.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020275770	1	48	-1.0	-43.90	403.65	5.84	-38.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020275771	0	47	-1.0	-43.98	401.69	4.07	-39.91
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020275771	1	47	-1.0	-43.95	401.74	4.10	-39.85
CCC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275772	0	50	-1.0	-40.82	389.87	7.01	-33.81
CCC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275772	1	50	-1.0	-40.79	389.91	7.04	-33.75
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275773	0	47	-1.0	-44.72	373.10	6.40	-38.32
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275773	1	47	-1.0	-44.69	373.03	6.37	-38.32
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020275774	0	54	-1.0	-41.47	416.83	6.26	-35.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020275774	1	54	-1.0	-41.48	416.89	6.28	-35.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020275775	0	51	-1.0	-42.92	390.86	3.94	-38.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020275775	1	51	-1.0	-42.93	390.92	3.95	-38.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020275776	0	50	-1.0	-48.84	423.46	7.17	-41.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020275776	1	50	-1.0	-48.85	423.52	7.20	-41.65
C#CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275777	0	45	-1.0	-40.77	371.44	5.58	-35.19
C#CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275777	1	45	-1.0	-40.80	371.50	5.59	-35.21
C#CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275778	0	42	-1.0	-43.60	347.83	5.38	-38.22
C#CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275778	1	42	-1.0	-43.61	347.77	5.36	-38.25
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275779	0	49	-1.0	-43.21	389.23	8.24	-34.97
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275779	1	49	-1.0	-43.28	389.24	8.23	-35.05
CCOC1=CC=C(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C=C1	REAL300020275780	0	53	-1.0	-44.06	437.27	7.14	-36.92
CCOC1=CC=C(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C=C1	REAL300020275780	1	53	-1.0	-44.05	437.33	7.17	-36.88
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020275781	0	57	-1.0	-40.70	422.42	5.88	-34.82
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020275781	1	57	-1.0	-40.71	422.48	5.89	-34.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020275782	0	54	-1.0	-43.36	400.93	5.09	-38.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020275782	1	54	-1.0	-43.34	400.99	5.12	-38.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020275783	0	52	-1.0	-40.30	418.64	3.67	-36.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020275783	1	52	-1.0	-40.31	418.69	3.69	-36.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020275784	0	49	-1.0	-41.86	396.68	3.07	-38.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020275784	1	49	-1.0	-41.87	396.74	3.08	-38.79
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2C)CC1	REAL300020275785	0	54	-1.0	-41.80	433.46	9.28	-32.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2C)CC1	REAL300020275785	1	54	-1.0	-41.85	433.52	9.30	-32.55
CCCOC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275786	0	54	-1.0	-42.62	437.40	5.51	-37.11
CCCOC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275786	1	54	-1.0	-42.63	437.46	5.53	-37.10
CCCOC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275787	0	51	-1.0	-45.11	419.62	4.83	-40.28
CCCOC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275787	1	51	-1.0	-45.13	419.68	4.86	-40.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020275788	0	47	-1.0	-42.41	396.30	4.77	-37.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020275788	1	47	-1.0	-42.44	396.35	4.79	-37.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020275789	0	47	-1.0	-44.40	381.77	2.56	-41.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020275789	1	47	-1.0	-44.42	381.83	2.58	-41.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020275790	0	44	-1.0	-44.83	363.41	2.04	-42.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020275790	1	44	-1.0	-44.87	363.47	2.06	-42.81
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020275791	0	51	-1.0	-45.70	413.69	4.76	-40.94
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020275791	1	51	-1.0	-45.71	413.73	4.73	-40.98
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020275792	0	47	-1.0	-43.42	403.25	4.27	-39.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020275792	1	47	-1.0	-43.42	403.31	4.28	-39.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020275793	0	44	-1.0	-45.42	378.69	3.70	-41.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020275793	1	44	-1.0	-45.45	378.75	3.73	-41.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020275794	0	49	-1.0	-40.87	409.58	5.70	-35.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020275794	1	49	-1.0	-40.88	409.64	5.72	-35.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020275795	0	46	-1.0	-43.12	387.50	5.17	-37.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020275795	1	46	-1.0	-43.10	387.56	5.19	-37.91
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275796	0	50	-1.0	-44.02	395.44	10.32	-33.70
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275796	1	50	-1.0	-44.03	395.49	10.33	-33.70
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275797	0	47	-1.0	-46.46	373.37	9.80	-36.66
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275797	1	47	-1.0	-46.49	373.31	9.78	-36.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020275798	0	47	-1.0	-40.50	364.34	5.98	-34.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020275798	1	47	-1.0	-40.46	364.40	6.00	-34.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020275799	0	44	-1.0	-42.68	345.03	5.32	-37.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020275799	1	44	-1.0	-42.71	345.09	5.34	-37.37
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020275800	0	51	-1.0	-41.17	391.57	7.91	-33.26
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020275800	1	51	-1.0	-41.18	391.60	7.90	-33.28
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020275801	0	41	-1.0	-40.01	338.68	4.91	-35.10
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020275801	1	41	-1.0	-40.02	338.74	4.92	-35.10
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020275802	0	45	-1.0	-41.53	356.00	6.24	-35.29
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020275802	1	45	-1.0	-41.47	356.04	6.20	-35.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020275803	0	49	-1.0	-45.29	396.86	-0.34	-45.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020275803	1	49	-1.0	-45.27	396.92	-0.33	-45.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020275804	0	46	-1.0	-49.19	375.37	-1.13	-50.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020275804	1	46	-1.0	-49.16	375.42	-1.10	-50.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020275805	0	49	-1.0	-39.77	383.29	4.66	-35.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020275805	1	49	-1.0	-39.77	383.35	4.67	-35.10
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020275806	0	46	-1.0	-41.00	353.17	3.81	-37.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020275806	1	46	-1.0	-40.99	353.23	3.84	-37.15
C=CCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275807	0	46	-1.0	-39.68	377.09	6.11	-33.57
C=CCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275807	1	46	-1.0	-39.66	377.15	6.13	-33.53
C=CCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275808	0	43	-1.0	-41.65	355.72	5.35	-36.30
C=CCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275808	1	43	-1.0	-41.62	355.66	5.33	-36.29
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275809	0	50	-1.0	-40.79	408.62	7.63	-33.16
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275809	1	50	-1.0	-40.81	408.66	7.63	-33.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020275810	0	56	0.0	-65.66	432.56	8.62	-57.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020275810	1	56	0.0	-61.99	430.45	8.57	-53.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020275810	1	55	-1.0	-42.65	428.65	5.78	-36.87
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020275810	1	55	-1.0	-42.67	428.70	5.81	-36.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020275811	0	44	-1.0	-41.09	376.16	4.05	-37.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020275811	1	44	-1.0	-41.14	376.21	4.06	-37.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020275812	0	41	-1.0	-42.54	354.26	3.21	-39.33
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020275812	1	41	-1.0	-42.55	354.31	3.23	-39.32
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020275813	0	44	-1.0	-41.04	379.17	4.14	-36.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020275813	1	44	-1.0	-41.07	379.23	4.16	-36.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020275814	0	41	-1.0	-42.60	354.39	3.20	-39.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020275814	1	41	-1.0	-42.63	354.45	3.22	-39.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020275815	0	46	-1.0	-43.44	389.24	4.55	-38.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020275815	1	46	-1.0	-43.48	389.30	4.57	-38.91
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020275816	0	43	-1.0	-45.51	367.80	3.79	-41.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020275816	1	43	-1.0	-45.46	367.74	3.77	-41.69
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020275817	0	50	-1.0	-43.86	417.25	6.71	-37.15
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020275817	1	50	-1.0	-43.88	417.32	6.70	-37.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020275818	0	47	-1.0	-43.33	395.36	4.73	-38.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020275818	1	47	-1.0	-43.33	395.42	4.74	-38.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020275819	0	44	-1.0	-44.48	359.94	3.29	-41.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020275819	1	44	-1.0	-44.51	360.00	3.31	-41.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020275820	0	48	-1.0	-47.01	383.62	6.50	-40.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020275820	1	48	-1.0	-46.99	383.68	6.53	-40.46
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020275821	0	48	-1.0	-45.97	398.67	6.76	-39.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020275821	1	48	-1.0	-45.94	398.73	6.77	-39.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020275822	0	45	-1.0	-46.53	378.78	6.90	-39.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020275822	1	45	-1.0	-46.52	378.72	6.87	-39.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020275823	0	49	-1.0	-47.56	381.59	5.66	-41.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020275823	1	49	-1.0	-47.57	381.65	5.68	-41.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020275824	0	46	-1.0	-52.07	357.70	5.38	-46.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020275824	1	46	-1.0	-52.06	357.75	5.39	-46.67
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020275825	0	47	-1.0	-40.17	371.53	3.14	-37.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020275825	1	47	-1.0	-40.15	371.59	3.16	-36.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020275826	0	44	-1.0	-42.23	354.12	2.52	-39.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020275826	1	44	-1.0	-42.25	354.18	2.55	-39.70
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOCC1	REAL300020275827	0	51	-1.0	-41.35	402.40	5.23	-36.12
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOCC1	REAL300020275827	1	51	-1.0	-41.33	402.42	5.22	-36.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020275828	0	49	-1.0	-42.65	385.55	3.45	-39.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020275828	1	49	-1.0	-42.66	385.60	3.47	-39.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020275829	0	46	-1.0	-44.40	364.05	2.67	-41.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020275829	1	46	-1.0	-44.40	364.11	2.69	-41.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CCC1C	REAL300020275830	0	46	-1.0	-39.99	380.70	5.18	-34.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CCC1C	REAL300020275830	1	46	-1.0	-40.01	380.75	5.20	-34.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CCC1C	REAL300020275831	0	43	-1.0	-41.37	351.28	4.37	-37.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CCC1C	REAL300020275831	1	43	-1.0	-41.36	351.34	4.38	-36.98
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020275832	0	48	-1.0	-43.08	375.49	4.43	-38.65
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020275832	1	48	-1.0	-43.07	375.55	4.45	-38.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020275833	0	45	-1.0	-45.02	351.53	3.91	-41.11
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020275833	1	45	-1.0	-45.05	351.59	3.93	-41.12
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCO2)C1	REAL300020275834	0	52	-1.0	-42.41	403.50	6.44	-35.97
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCO2)C1	REAL300020275834	1	52	-1.0	-42.43	403.52	6.43	-36.00
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020275835	0	50	-1.0	-46.48	394.90	2.65	-43.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020275835	1	50	-1.0	-46.42	394.96	2.67	-43.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020275836	0	47	-1.0	-49.30	372.34	2.06	-47.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020275836	1	47	-1.0	-49.22	372.40	2.08	-47.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020275837	0	53	-1.0	-39.67	419.48	7.97	-31.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020275837	1	53	-1.0	-39.69	419.54	7.99	-31.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020275838	0	50	-1.0	-42.77	398.04	7.21	-35.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020275838	1	50	-1.0	-42.75	397.98	7.19	-35.56
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020275839	0	59	0.0	-67.53	434.95	7.67	-59.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020275839	1	59	0.0	-67.54	435.01	7.68	-59.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020275840	0	56	0.0	-70.64	414.21	6.90	-63.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020275840	1	56	0.0	-70.66	414.26	6.93	-63.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C(C(=O)OC)C1	REAL300020275841	0	49	-1.0	-52.34	405.58	4.88	-47.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C(C(=O)OC)C1	REAL300020275841	1	49	-1.0	-52.34	405.64	4.90	-47.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020275842	0	53	-1.0	-42.20	409.29	8.48	-33.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020275842	1	53	-1.0	-42.23	409.35	8.49	-33.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020275843	0	50	-1.0	-42.44	391.63	7.81	-34.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020275843	1	50	-1.0	-42.41	391.69	7.83	-34.58
CCC1=NN(C)C(CC)=C1NC1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275844	0	52	-1.0	-45.95	426.70	7.23	-38.72
CCC1=NN(C)C(CC)=C1NC1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275844	1	52	-1.0	-45.92	426.75	7.24	-38.68
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275845	0	49	-1.0	-47.73	405.24	6.47	-41.26
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275845	1	49	-1.0	-47.69	405.18	6.44	-41.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020275846	0	50	-1.0	-39.09	384.58	5.08	-34.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020275846	1	50	-1.0	-39.18	384.64	5.09	-34.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020275847	0	47	-1.0	-43.53	343.92	2.84	-40.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020275847	1	47	-1.0	-43.55	343.98	2.86	-40.69
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020275848	0	54	-1.0	-40.53	412.39	7.32	-33.21
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020275848	1	54	-1.0	-40.47	412.45	7.30	-33.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020275849	0	48	-1.0	-41.13	378.52	4.35	-36.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020275849	1	48	-1.0	-41.15	378.58	4.36	-36.79
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020275850	0	45	-1.0	-42.27	355.26	3.65	-38.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020275850	1	45	-1.0	-42.26	355.32	3.66	-38.60
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020275851	0	52	-1.0	-42.52	395.25	5.68	-36.84
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020275851	1	52	-1.0	-42.52	395.28	5.67	-36.85
C=CCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275852	0	49	-1.0	-40.15	396.01	6.91	-33.24
C=CCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275852	1	49	-1.0	-40.15	396.07	6.92	-33.23
C=CCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275853	0	46	-1.0	-41.66	381.81	6.02	-35.64
C=CCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275853	1	46	-1.0	-41.66	381.86	6.04	-35.62
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275854	0	53	-1.0	-40.46	431.67	8.80	-31.66
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275854	1	53	-1.0	-40.43	431.72	8.79	-31.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020275855	0	53	-1.0	-43.77	436.93	7.10	-36.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020275855	1	53	-1.0	-43.78	436.99	7.13	-36.65
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC[N@H+](CC)CC1	REAL300020275856	0	60	0.0	-55.51	412.87	5.13	-50.38
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC[N@@H+](CC)CC1	REAL300020275856	1	60	0.0	-60.55	409.14	7.45	-53.10
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC[N@H+](CC)CC1	REAL300020275856	1	60	0.0	-55.55	412.92	5.15	-50.40
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC[N@@H+](CC)CC1	REAL300020275856	1	60	0.0	-60.55	409.21	7.47	-53.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020275857	0	43	-1.0	-40.64	365.86	5.47	-35.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020275857	1	43	-1.0	-40.71	365.92	5.49	-35.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020275858	0	40	-1.0	-42.10	344.32	4.68	-37.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020275858	1	40	-1.0	-42.05	344.38	4.70	-37.35
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020275859	0	47	-1.0	-42.66	390.37	7.62	-35.04
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020275859	1	47	-1.0	-42.62	390.40	7.61	-35.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC1OC	REAL300020275860	0	47	-1.0	-41.01	374.49	4.18	-36.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC1OC	REAL300020275860	1	47	-1.0	-40.98	374.55	4.20	-36.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC1OC	REAL300020275861	0	44	-1.0	-42.67	343.68	3.46	-39.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC1OC	REAL300020275861	1	44	-1.0	-42.68	343.75	3.48	-39.20
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1OC	REAL300020275862	0	51	-1.0	-41.83	411.30	6.47	-35.36
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC1OC	REAL300020275862	1	51	-1.0	-41.82	411.22	6.47	-35.35
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020275863	0	48	-1.0	-41.87	384.19	4.66	-37.21
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020275863	1	48	-1.0	-41.89	384.25	4.67	-37.22
C=CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020275864	0	45	-1.0	-44.81	367.62	4.02	-40.79
C=CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020275864	1	45	-1.0	-44.85	367.68	4.05	-40.80
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020275865	0	52	-1.0	-42.84	416.70	6.77	-36.07
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020275865	1	52	-1.0	-42.82	416.72	6.76	-36.06
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275866	0	48	-1.0	-41.03	396.37	7.03	-34.00
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275866	1	48	-1.0	-41.01	396.42	7.04	-33.97
C#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020275867	0	45	-1.0	-43.86	374.86	6.24	-37.62
C#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020275867	1	45	-1.0	-43.85	374.91	6.27	-37.58
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CC1	REAL300020275868	0	52	-1.0	-41.73	423.30	8.99	-32.74
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1	REAL300020275868	1	52	-1.0	-41.69	423.33	8.99	-32.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020275869	0	54	-1.0	-44.40	429.41	7.77	-36.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020275869	1	54	-1.0	-44.42	429.47	7.78	-36.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020275870	0	51	-1.0	-47.59	411.44	7.18	-40.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020275870	1	51	-1.0	-47.64	411.50	7.20	-40.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020275871	0	56	-1.0	-39.58	428.94	8.39	-31.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020275871	1	56	-1.0	-39.58	429.00	8.41	-31.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020275872	0	53	-1.0	-41.78	409.03	7.63	-34.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020275872	1	53	-1.0	-41.78	409.08	7.65	-34.13
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020275873	0	50	-1.0	-43.43	415.43	3.67	-39.76
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020275873	1	50	-1.0	-43.43	415.49	3.68	-39.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020275874	0	47	-1.0	-45.13	393.27	3.10	-42.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020275874	1	47	-1.0	-45.07	393.33	3.12	-41.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020275875	0	50	-1.0	-40.14	398.48	4.73	-35.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020275875	1	50	-1.0	-40.15	398.53	4.75	-35.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020275876	0	47	-1.0	-42.23	380.65	4.07	-38.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020275876	1	47	-1.0	-42.21	380.71	4.10	-38.11
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020275877	0	54	-1.0	-42.08	421.20	6.92	-35.16
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020275877	1	54	-1.0	-42.04	421.25	6.90	-35.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020275878	0	47	-1.0	-41.30	376.57	2.74	-38.56
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020275878	1	47	-1.0	-41.28	376.63	2.75	-38.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020275879	0	44	-1.0	-41.95	365.66	2.02	-39.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020275879	1	44	-1.0	-41.95	365.60	1.99	-39.96
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020275880	0	51	-1.0	-43.12	411.08	4.94	-38.18
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020275880	1	51	-1.0	-43.14	411.13	4.93	-38.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020275881	0	54	-1.0	-42.21	426.85	3.60	-38.61
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020275881	1	54	-1.0	-42.21	426.90	3.62	-38.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020275882	0	51	-1.0	-44.84	399.94	2.93	-41.91
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020275882	1	51	-1.0	-44.82	400.00	2.96	-41.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(=O)OC)CC1	REAL300020275883	0	53	-1.0	-45.29	435.01	5.36	-39.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(=O)OC)CC1	REAL300020275883	1	53	-1.0	-45.31	435.07	5.39	-39.92
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020275884	0	47	-1.0	-40.43	353.56	1.31	-39.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020275884	1	47	-1.0	-40.43	353.61	1.32	-39.11
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020275885	0	44	-1.0	-40.08	328.51	0.60	-39.48
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020275885	1	44	-1.0	-40.04	328.57	0.61	-39.43
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(C)C	REAL300020275886	0	51	-1.0	-39.93	400.77	6.86	-33.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(C)C	REAL300020275886	1	51	-1.0	-39.94	400.83	6.88	-33.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(C)C	REAL300020275887	0	48	-1.0	-41.22	386.57	5.96	-35.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(C)C	REAL300020275887	1	48	-1.0	-41.29	386.62	5.99	-35.30
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC(C)C	REAL300020275888	0	55	-1.0	-40.09	436.43	8.76	-31.33
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC(C)C	REAL300020275888	1	55	-1.0	-40.10	436.47	8.75	-31.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020275889	0	46	-1.0	-45.55	375.33	6.44	-39.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020275889	1	46	-1.0	-45.54	375.39	6.45	-39.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020275890	0	43	-1.0	-46.11	366.39	5.71	-40.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020275890	1	43	-1.0	-46.14	366.45	5.74	-40.40
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1C=CN=C1	REAL300020275891	0	50	-1.0	-47.25	409.08	8.58	-38.67
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1C=CN=C1	REAL300020275891	1	50	-1.0	-47.32	409.12	8.57	-38.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCN1CCOCC1	REAL300020275892	0	55	-1.0	-40.67	435.90	3.18	-37.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020275892	1	55	-1.0	-40.68	435.96	3.19	-37.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020275892	1	56	0.0	-67.77	425.87	5.41	-62.36
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCN1CCOCC1	REAL300020275893	0	52	-1.0	-42.78	414.34	2.40	-40.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020275893	1	52	-1.0	-42.78	414.40	2.42	-40.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020275893	1	53	0.0	-69.45	416.91	4.70	-64.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020275894	0	54	-1.0	-42.71	438.90	6.19	-36.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020275894	1	54	-1.0	-42.74	438.95	6.20	-36.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020275895	0	51	-1.0	-43.60	417.08	5.40	-38.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020275895	1	51	-1.0	-43.63	417.14	5.42	-38.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020275896	0	50	-1.0	-39.98	404.86	7.19	-32.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020275896	1	50	-1.0	-39.96	404.92	7.21	-32.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020275897	0	47	-1.0	-42.76	387.09	6.50	-36.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020275897	1	47	-1.0	-42.77	387.14	6.52	-36.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020275898	0	46	-1.0	-41.81	379.90	6.07	-35.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020275898	1	46	-1.0	-41.81	379.96	6.08	-35.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020275899	0	43	-1.0	-42.66	364.84	5.17	-37.49
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020275899	1	43	-1.0	-42.67	364.90	5.19	-37.48
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=CN1C	REAL300020275900	0	50	-1.0	-43.54	402.86	7.98	-35.56
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=CN1C	REAL300020275900	1	50	-1.0	-43.52	402.88	7.97	-35.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020275901	0	53	-1.0	-39.03	412.79	5.14	-33.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020275901	1	53	-1.0	-39.04	412.85	5.15	-33.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020275902	0	50	-1.0	-40.30	375.58	4.07	-36.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020275902	1	50	-1.0	-40.32	375.64	4.08	-36.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020275903	0	55	-1.0	-42.44	427.55	2.30	-40.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020275903	1	55	-1.0	-42.44	427.60	2.31	-40.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020275904	0	52	-1.0	-44.75	411.16	1.60	-43.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020275904	1	52	-1.0	-44.76	411.21	1.62	-43.14
COCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020275905	0	53	-1.0	-41.16	421.77	5.70	-35.46
COCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020275905	1	53	-1.0	-41.18	421.83	5.72	-35.46
COCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020275906	0	50	-1.0	-44.89	386.45	4.26	-40.63
COCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020275906	1	50	-1.0	-44.89	386.50	4.28	-40.61
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020275907	0	53	-1.0	-43.51	425.01	7.67	-35.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020275907	1	53	-1.0	-43.52	425.07	7.69	-35.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020275907	1	54	0.0	-65.09	428.50	8.20	-56.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020275908	0	50	-1.0	-45.05	403.05	7.07	-37.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020275908	1	50	-1.0	-45.04	403.11	7.09	-37.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020275908	1	51	0.0	-65.42	406.55	7.60	-57.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020275909	0	44	-1.0	-46.82	377.34	6.10	-40.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020275909	1	44	-1.0	-46.80	377.40	6.13	-40.67
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275910	0	48	-1.0	-41.25	373.22	5.16	-36.09
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275910	1	48	-1.0	-41.26	373.28	5.18	-36.08
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275911	0	45	-1.0	-43.25	340.29	4.17	-39.08
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275911	1	45	-1.0	-43.24	340.23	4.15	-39.09
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275912	0	52	-1.0	-42.62	388.10	6.45	-36.17
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275912	1	52	-1.0	-42.57	388.14	6.43	-36.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020275913	0	44	-1.0	-40.85	384.33	7.12	-33.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020275913	1	44	-1.0	-40.88	384.39	7.14	-33.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020275914	0	61	0.0	-61.46	450.33	6.96	-54.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020275914	1	61	0.0	-61.51	450.39	6.97	-54.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020275915	0	58	0.0	-62.80	428.81	6.17	-56.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020275915	1	58	0.0	-62.82	428.87	6.20	-56.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020275916	0	44	-1.0	-40.52	382.77	7.08	-33.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020275916	1	44	-1.0	-40.50	382.82	7.09	-33.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020275917	0	51	-1.0	-42.68	416.94	7.27	-35.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020275917	1	51	-1.0	-42.65	417.00	7.28	-35.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020275918	0	48	-1.0	-45.62	397.01	6.53	-39.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020275918	1	48	-1.0	-45.61	396.95	6.51	-39.10
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020275919	0	50	-1.0	-42.99	413.41	7.99	-35.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020275919	1	50	-1.0	-42.99	413.47	8.01	-34.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020275920	0	47	-1.0	-46.85	381.47	6.25	-40.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020275920	1	47	-1.0	-46.85	381.52	6.28	-40.57
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020275921	0	50	-1.0	-41.64	410.48	8.05	-33.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020275921	1	50	-1.0	-41.65	410.54	8.07	-33.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020275922	0	47	-1.0	-46.65	382.59	6.27	-40.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020275922	1	47	-1.0	-46.65	382.65	6.29	-40.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020275923	0	54	-1.0	-39.74	401.37	5.99	-33.75
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020275923	1	54	-1.0	-39.78	401.43	6.01	-33.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020275924	0	51	-1.0	-42.59	385.75	5.37	-37.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020275924	1	51	-1.0	-42.61	385.81	5.39	-37.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020275925	0	56	-1.0	-39.58	444.50	9.21	-30.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020275925	1	56	-1.0	-39.57	444.55	9.22	-30.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020275926	0	53	-1.0	-41.37	422.33	8.63	-32.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020275926	1	53	-1.0	-41.37	422.38	8.65	-32.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020275927	0	47	-1.0	-45.50	391.35	6.65	-38.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020275927	1	47	-1.0	-45.49	391.41	6.68	-38.81
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020275928	0	48	-1.0	-39.43	361.98	6.22	-33.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020275928	1	48	-1.0	-39.44	362.04	6.24	-33.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020275929	0	45	-1.0	-40.37	341.22	5.73	-34.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020275929	1	45	-1.0	-40.44	341.28	5.74	-34.70
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020275930	0	52	-1.0	-40.66	402.57	8.44	-32.22
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020275930	1	52	-1.0	-40.62	402.65	8.44	-32.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020275931	0	50	-1.0	-47.30	408.59	3.16	-44.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020275931	1	50	-1.0	-47.36	408.65	3.18	-44.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020275932	0	47	-1.0	-50.16	383.15	2.43	-47.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020275932	1	47	-1.0	-50.15	383.21	2.46	-47.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020275933	0	49	-1.0	-41.23	387.74	3.69	-37.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020275933	1	49	-1.0	-41.19	387.79	3.70	-37.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020275934	0	46	-1.0	-42.65	368.35	2.86	-39.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020275934	1	46	-1.0	-42.62	368.41	2.89	-39.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020275935	0	54	-1.0	-42.55	428.49	3.70	-38.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020275935	1	54	-1.0	-42.58	428.55	3.71	-38.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020275936	0	51	-1.0	-45.76	407.00	2.91	-42.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020275936	1	51	-1.0	-45.75	407.06	2.94	-42.81
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020275937	0	52	-1.0	-40.52	391.05	7.00	-33.52
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020275937	1	52	-1.0	-40.50	391.10	7.01	-33.49
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020275938	0	49	-1.0	-41.44	364.12	6.31	-35.13
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020275938	1	49	-1.0	-41.42	364.18	6.34	-35.08
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020275939	0	56	-1.0	-41.25	418.67	8.31	-32.94
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020275939	1	56	-1.0	-41.22	418.68	8.31	-32.91
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020275940	0	51	-1.0	-40.38	411.61	5.27	-35.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020275940	1	51	-1.0	-40.43	411.67	5.28	-35.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020275941	0	48	-1.0	-43.01	390.09	4.48	-38.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020275941	1	48	-1.0	-42.98	390.15	4.51	-38.47
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020275942	0	48	-1.0	-40.90	381.58	4.58	-36.32
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020275942	1	48	-1.0	-40.92	381.64	4.59	-36.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020275943	0	45	-1.0	-43.82	365.02	3.94	-39.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020275943	1	45	-1.0	-43.81	365.08	3.97	-39.84
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020275944	0	52	-1.0	-41.18	406.74	6.15	-35.03
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020275944	1	52	-1.0	-41.15	406.77	6.14	-35.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020275945	0	54	-1.0	-48.75	416.23	5.20	-43.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020275945	1	54	-1.0	-48.75	416.28	5.21	-43.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020275946	0	51	-1.0	-51.56	396.39	4.36	-47.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020275946	1	51	-1.0	-51.61	396.44	4.39	-47.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020275947	0	53	-1.0	-47.82	420.93	5.51	-42.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020275947	1	53	-1.0	-47.80	420.99	5.52	-42.28
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020275948	0	50	-1.0	-49.03	398.61	4.71	-44.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020275948	1	50	-1.0	-49.03	398.67	4.73	-44.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020275949	0	47	-1.0	-47.76	376.52	5.07	-42.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020275949	1	47	-1.0	-47.75	376.57	5.08	-42.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020275950	0	44	-1.0	-50.94	353.02	4.56	-46.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020275950	1	44	-1.0	-50.93	353.08	4.59	-46.34
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020275951	0	53	-1.0	-46.82	410.54	5.30	-41.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020275951	1	53	-1.0	-46.83	410.60	5.31	-41.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020275952	0	50	-1.0	-44.62	406.52	5.50	-39.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020275952	1	50	-1.0	-44.62	406.58	5.53	-39.09
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020275953	0	47	-1.0	-43.11	389.17	5.87	-37.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020275953	1	47	-1.0	-43.12	389.23	5.89	-37.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020275954	0	44	-1.0	-48.86	360.39	4.90	-43.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020275954	1	44	-1.0	-48.87	360.44	4.92	-43.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020275955	0	54	-1.0	-41.72	426.44	5.24	-36.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020275955	1	54	-1.0	-41.75	426.50	5.25	-36.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020275956	0	51	-1.0	-44.62	409.74	4.59	-40.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020275956	1	51	-1.0	-44.64	409.80	4.62	-40.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020275957	0	54	-1.0	-41.10	424.84	6.22	-34.88
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020275957	1	54	-1.0	-41.16	424.90	6.23	-34.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020275958	0	51	-1.0	-45.55	398.58	5.37	-40.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020275958	1	51	-1.0	-45.61	398.64	5.39	-40.22
CCC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCOC)CCC2=C1	REAL300020275959	0	53	-1.0	-41.98	419.18	7.85	-34.13
CCC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCOC)CCC2=C1	REAL300020275959	1	53	-1.0	-42.01	419.23	7.86	-34.15
CCC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCOC)CCC2=C1	REAL300020275960	0	50	-1.0	-44.07	397.16	7.23	-36.84
CCC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCOC)CCC2=C1	REAL300020275960	1	50	-1.0	-44.11	397.11	7.21	-36.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020275961	0	49	-1.0	-40.81	371.70	5.96	-34.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020275961	1	49	-1.0	-40.81	371.76	5.98	-34.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020275962	0	46	-1.0	-43.72	352.50	5.58	-38.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020275962	1	46	-1.0	-43.70	352.55	5.60	-38.10
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1C	REAL300020275963	0	53	-1.0	-40.91	412.02	8.04	-32.87
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1C	REAL300020275963	1	53	-1.0	-40.89	412.03	8.03	-32.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020275964	0	44	-1.0	-44.15	350.13	0.69	-43.46
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020275964	1	44	-1.0	-44.16	350.19	0.70	-43.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020275965	0	41	-1.0	-44.21	328.61	-0.11	-44.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020275965	1	41	-1.0	-44.27	328.67	-0.08	-44.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020275966	0	41	-1.0	-38.39	359.00	5.84	-32.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020275966	1	41	-1.0	-38.40	359.05	5.85	-32.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020275967	0	38	-1.0	-39.56	336.86	4.98	-34.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020275967	1	38	-1.0	-39.60	336.92	5.00	-34.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020275968	0	54	-1.0	-42.66	428.80	9.31	-33.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020275968	1	54	-1.0	-42.70	428.86	9.33	-33.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020275969	0	57	0.0	-68.25	410.76	7.54	-60.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020275969	1	57	0.0	-68.26	410.82	7.56	-60.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020275970	0	53	-1.0	-44.21	418.16	6.60	-37.61
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020275970	1	53	-1.0	-44.23	418.22	6.61	-37.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020275971	0	50	-1.0	-47.34	406.84	5.99	-41.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020275971	1	50	-1.0	-47.34	406.89	6.02	-41.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020275972	0	49	-1.0	-46.48	399.12	6.43	-40.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020275972	1	49	-1.0	-46.51	399.17	6.45	-40.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020275973	0	48	-1.0	-45.16	405.98	4.84	-40.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020275973	1	48	-1.0	-45.14	406.04	4.86	-40.28
COCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020275974	0	51	-1.0	-41.18	412.56	3.30	-37.88
COCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020275974	1	51	-1.0	-41.18	412.62	3.32	-37.86
COCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020275975	0	48	-1.0	-43.68	394.83	2.64	-41.04
COCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020275975	1	48	-1.0	-43.68	394.89	2.67	-41.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020275976	0	53	-1.0	-42.47	434.12	7.86	-34.61
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020275976	1	53	-1.0	-42.42	434.18	7.87	-34.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020275977	0	50	-1.0	-45.20	406.75	7.03	-38.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020275977	1	50	-1.0	-45.21	406.80	7.06	-38.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020275978	0	53	-1.0	-43.58	427.29	6.42	-37.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020275978	1	53	-1.0	-43.56	427.34	6.44	-37.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020275979	0	48	-1.0	-42.82	387.30	3.56	-39.26
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020275979	1	48	-1.0	-42.86	387.36	3.58	-39.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020275980	0	45	-1.0	-45.08	366.75	2.75	-42.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020275980	1	45	-1.0	-45.07	366.69	2.72	-42.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020275981	0	48	-1.0	-42.24	404.86	7.42	-34.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020275981	1	48	-1.0	-42.25	404.91	7.45	-34.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020275982	0	51	-1.0	-49.06	418.21	9.08	-39.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020275982	1	51	-1.0	-49.00	418.15	9.05	-39.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020275983	0	55	-1.0	-39.87	422.31	7.79	-32.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020275983	1	55	-1.0	-39.93	422.37	7.81	-32.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020275984	0	52	-1.0	-41.35	405.28	7.18	-34.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020275984	1	52	-1.0	-41.38	405.34	7.20	-34.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020275985	0	53	-1.0	-43.01	416.06	4.98	-38.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020275985	1	53	-1.0	-43.07	416.12	4.99	-38.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020275986	0	50	-1.0	-44.86	398.26	4.32	-40.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020275986	1	50	-1.0	-44.87	398.31	4.34	-40.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020275987	0	49	-1.0	-41.80	398.45	5.49	-36.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020275987	1	49	-1.0	-41.82	398.50	5.50	-36.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020275988	0	46	-1.0	-44.25	379.36	4.89	-39.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020275988	1	46	-1.0	-44.31	379.41	4.92	-39.39
C=CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275989	0	46	-1.0	-40.14	374.52	6.13	-34.01
C=CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275989	1	46	-1.0	-40.18	374.57	6.14	-34.04
C=CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275990	0	43	-1.0	-41.43	360.37	5.26	-36.17
C=CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275990	1	43	-1.0	-41.43	360.31	5.24	-36.19
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020275991	0	50	-1.0	-40.29	410.18	8.02	-32.27
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020275991	1	50	-1.0	-40.27	410.22	8.01	-32.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020275992	0	51	-1.0	-40.52	401.09	5.26	-35.26
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020275992	1	51	-1.0	-40.48	401.14	5.28	-35.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020275993	0	48	-1.0	-43.04	379.21	4.65	-38.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020275993	1	48	-1.0	-43.00	379.26	4.67	-38.33
C=CCN(CC(=C)Br)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020275994	0	44	-1.0	-39.32	389.93	6.49	-32.83
C=CCN(CC(=C)Br)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020275994	1	44	-1.0	-39.35	389.99	6.50	-32.85
C=CCN(CC(=C)Br)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020275995	0	41	-1.0	-41.23	363.06	5.29	-35.94
C=CCN(CC(=C)Br)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020275995	1	41	-1.0	-41.20	363.12	5.31	-35.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020275996	0	49	-1.0	-41.19	404.99	7.97	-33.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020275996	1	49	-1.0	-41.20	405.04	7.99	-33.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020275997	0	46	-1.0	-44.14	383.96	6.58	-37.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020275997	1	46	-1.0	-44.11	384.01	6.59	-37.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020275998	0	42	-1.0	-48.22	350.20	4.07	-44.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020275998	1	42	-1.0	-48.23	350.26	4.08	-44.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020275999	0	39	-1.0	-49.12	328.89	3.28	-45.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020275999	1	39	-1.0	-49.11	328.95	3.30	-45.81
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020276000	0	46	-1.0	-49.82	377.93	6.02	-43.80
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020276000	1	46	-1.0	-49.83	377.95	6.01	-43.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020276001	0	48	-1.0	-40.10	386.16	4.37	-35.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020276001	1	48	-1.0	-40.11	386.22	4.39	-35.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020276002	0	45	-1.0	-42.29	364.97	3.43	-38.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020276002	1	45	-1.0	-42.31	365.03	3.45	-38.86
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020276003	0	52	-1.0	-41.45	412.87	6.37	-35.08
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020276003	1	52	-1.0	-41.38	412.93	6.36	-35.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020276004	0	49	-1.0	-44.33	391.79	5.25	-39.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020276004	1	49	-1.0	-44.32	391.85	5.26	-39.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020276005	0	46	-1.0	-45.39	360.09	4.70	-40.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020276005	1	46	-1.0	-45.36	360.13	4.73	-40.63
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020276006	0	44	-1.0	-39.84	360.93	3.50	-36.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020276006	1	44	-1.0	-39.83	360.99	3.51	-36.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020276007	0	41	-1.0	-41.67	336.98	2.98	-38.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020276007	1	41	-1.0	-41.68	337.04	3.00	-38.68
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020276008	0	48	-1.0	-40.95	388.60	5.46	-35.49
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020276008	1	48	-1.0	-40.93	388.63	5.45	-35.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020276009	0	51	-1.0	-44.64	404.73	3.82	-40.82
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020276009	1	51	-1.0	-44.67	404.79	3.84	-40.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020276010	0	48	-1.0	-44.47	380.13	3.23	-41.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020276010	1	48	-1.0	-44.47	380.07	3.22	-41.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020276011	0	58	-1.0	-40.15	441.60	8.38	-31.77
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020276011	1	58	-1.0	-40.12	441.66	8.40	-31.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020276012	0	55	-1.0	-43.62	417.17	7.38	-36.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020276012	1	55	-1.0	-43.62	417.23	7.40	-36.22
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276013	0	53	-1.0	-40.03	405.07	7.05	-32.98
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276013	1	53	-1.0	-40.05	405.13	7.07	-32.98
CCC1CC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276014	0	50	-1.0	-42.72	383.58	6.27	-36.45
CCC1CC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276014	1	50	-1.0	-42.71	383.63	6.29	-36.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020276015	0	46	-1.0	-43.42	377.52	5.87	-37.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020276015	1	46	-1.0	-43.40	377.57	5.89	-37.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020276016	0	43	-1.0	-42.04	360.74	5.25	-36.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020276016	1	43	-1.0	-42.05	360.80	5.27	-36.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020276017	0	50	-1.0	-47.33	420.61	6.64	-40.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020276017	1	50	-1.0	-47.29	420.55	6.61	-40.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020276018	0	44	-1.0	-50.12	380.76	5.20	-44.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020276018	1	44	-1.0	-50.11	380.82	5.23	-44.88
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020276019	0	56	-1.0	-41.88	436.54	8.33	-33.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020276019	1	56	-1.0	-41.94	436.60	8.34	-33.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020276020	0	53	-1.0	-44.01	414.47	7.69	-36.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020276020	1	53	-1.0	-44.01	414.53	7.71	-36.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020276021	0	56	-1.0	-44.73	431.89	7.91	-36.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020276021	1	56	-1.0	-44.76	431.95	7.93	-36.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020276022	0	51	-1.0	-40.53	419.23	7.99	-32.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020276022	1	51	-1.0	-40.50	419.29	8.01	-32.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020276023	0	50	-1.0	-49.97	403.62	2.74	-47.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020276023	1	50	-1.0	-49.95	403.68	2.76	-47.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020276024	0	47	-1.0	-51.03	377.94	1.95	-49.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020276024	1	47	-1.0	-51.05	378.00	1.98	-49.07
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020276025	0	51	-1.0	-41.88	410.56	6.64	-35.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020276025	1	51	-1.0	-41.92	410.62	6.66	-35.26
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020276026	0	48	-1.0	-44.51	397.53	5.98	-38.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020276026	1	48	-1.0	-44.48	397.59	5.99	-38.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020276027	0	54	-1.0	-42.73	445.25	7.49	-35.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020276027	1	54	-1.0	-42.74	445.31	7.51	-35.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020276028	0	51	-1.0	-44.58	419.37	6.84	-37.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020276028	1	51	-1.0	-44.62	419.42	6.86	-37.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020276029	0	46	-1.0	-40.69	375.48	5.65	-35.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020276029	1	46	-1.0	-40.72	375.54	5.67	-35.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020276030	0	43	-1.0	-42.93	361.73	5.17	-37.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020276030	1	43	-1.0	-42.86	361.79	5.19	-37.67
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020276031	0	47	-1.0	-48.30	381.87	1.71	-46.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020276031	1	47	-1.0	-48.30	381.93	1.73	-46.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020276032	0	44	-1.0	-51.70	359.97	1.22	-50.48
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020276032	1	44	-1.0	-51.68	360.03	1.25	-50.43
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020276033	0	51	-1.0	-50.32	409.33	4.02	-46.30
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020276033	1	51	-1.0	-50.33	409.37	4.01	-46.32
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020276034	0	51	-1.0	-48.24	407.97	4.83	-43.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020276034	1	51	-1.0	-48.18	408.03	4.84	-43.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020276035	0	48	-1.0	-50.10	383.62	3.95	-46.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020276035	1	48	-1.0	-50.10	383.67	3.97	-46.13
CCC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCOC)CC2=C1	REAL300020276036	0	53	-1.0	-42.09	419.73	7.77	-34.32
CCC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCOC)CC2=C1	REAL300020276036	1	53	-1.0	-42.09	419.78	7.79	-34.30
CCC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCOC)CC2=C1	REAL300020276037	0	50	-1.0	-42.06	409.02	7.98	-34.08
CCC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCOC)CC2=C1	REAL300020276037	1	50	-1.0	-42.04	408.97	7.95	-34.09
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020276038	0	54	-1.0	-43.76	427.88	7.36	-36.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020276038	1	54	-1.0	-43.79	427.94	7.38	-36.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020276039	0	51	-1.0	-51.12	403.01	6.52	-44.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020276039	1	51	-1.0	-51.13	403.07	6.55	-44.58
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020276040	0	46	-1.0	-49.08	361.63	1.61	-47.47
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020276040	1	46	-1.0	-49.07	361.68	1.63	-47.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020276041	0	43	-1.0	-48.73	351.53	1.01	-47.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020276041	1	43	-1.0	-48.70	351.47	0.98	-47.72
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC(N)=O	REAL300020276042	0	50	-1.0	-49.08	397.85	3.87	-45.21
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC(N)=O	REAL300020276042	1	50	-1.0	-49.10	397.89	3.86	-45.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020276043	0	53	-1.0	-42.51	413.27	7.40	-35.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020276043	1	53	-1.0	-42.54	413.33	7.41	-35.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020276044	0	50	-1.0	-44.89	393.76	6.71	-38.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020276044	1	50	-1.0	-44.84	393.70	6.68	-38.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020276045	0	46	-1.0	-39.95	390.98	6.75	-33.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020276045	1	46	-1.0	-39.97	391.04	6.76	-33.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020276046	0	43	-1.0	-41.06	376.21	5.87	-35.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020276046	1	43	-1.0	-41.08	376.15	5.84	-35.24
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276047	0	53	-1.0	-48.55	422.48	6.78	-41.77
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276047	1	53	-1.0	-48.58	422.54	6.81	-41.77
CCC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCOC)CC2	REAL300020276048	0	53	-1.0	-39.85	420.68	8.36	-31.49
CCC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCOC)CC2	REAL300020276048	1	53	-1.0	-39.92	420.73	8.38	-31.54
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCOC)CC2	REAL300020276049	0	50	-1.0	-44.45	391.94	6.72	-37.73
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCOC)CC2	REAL300020276049	1	50	-1.0	-44.46	391.89	6.70	-37.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020276050	0	51	-1.0	-40.70	399.24	5.07	-35.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020276050	1	51	-1.0	-40.69	399.29	5.09	-35.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020276051	0	48	-1.0	-43.49	362.62	3.92	-39.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020276051	1	48	-1.0	-43.50	362.67	3.95	-39.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020276052	0	51	-1.0	-42.69	419.65	7.46	-35.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020276052	1	51	-1.0	-42.63	419.59	7.45	-35.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020276053	0	48	-1.0	-44.00	404.41	6.59	-37.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020276053	1	48	-1.0	-44.01	404.36	6.57	-37.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020276054	0	54	-1.0	-40.30	426.62	4.90	-35.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020276054	1	54	-1.0	-40.30	426.68	4.92	-35.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020276055	0	51	-1.0	-42.91	398.77	4.27	-38.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020276055	1	51	-1.0	-42.91	398.82	4.30	-38.61
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020276056	0	50	-1.0	-46.79	408.07	8.12	-38.67
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020276056	1	50	-1.0	-46.80	408.01	8.10	-38.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020276057	0	47	-1.0	-48.43	385.98	7.58	-40.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020276057	1	47	-1.0	-48.43	385.93	7.57	-40.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020276058	0	47	-1.0	-39.55	375.05	6.32	-33.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020276058	1	47	-1.0	-39.55	375.11	6.34	-33.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020276059	0	44	-1.0	-43.08	357.11	5.66	-37.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020276059	1	44	-1.0	-43.09	357.16	5.69	-37.40
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1C2CCCC21	REAL300020276060	0	51	-1.0	-41.68	395.64	8.56	-33.12
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1C2CCCC21	REAL300020276060	1	51	-1.0	-41.66	395.69	8.55	-33.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020276061	0	50	-1.0	-41.94	400.84	6.81	-35.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020276061	1	50	-1.0	-41.93	400.90	6.83	-35.10
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020276062	0	47	-1.0	-42.74	381.97	6.16	-36.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020276062	1	47	-1.0	-42.75	382.03	6.19	-36.56
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020276063	0	50	-1.0	-41.10	404.83	7.36	-33.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020276063	1	50	-1.0	-41.08	404.89	7.37	-33.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020276064	0	47	-1.0	-44.90	378.06	6.54	-38.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020276064	1	47	-1.0	-44.88	378.12	6.56	-38.32
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C2	REAL300020276065	0	41	-1.0	-40.69	334.51	5.00	-35.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C2	REAL300020276065	1	41	-1.0	-40.68	334.57	5.02	-35.66
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C2	REAL300020276066	0	45	-1.0	-41.15	362.72	6.98	-34.17
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C2	REAL300020276066	1	45	-1.0	-41.11	362.76	6.97	-34.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020276067	0	50	-1.0	-40.86	396.36	4.80	-36.06
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020276067	1	50	-1.0	-40.80	396.42	4.81	-35.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020276068	0	47	-1.0	-42.86	366.86	3.97	-38.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020276068	1	47	-1.0	-42.88	366.91	3.99	-38.89
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020276069	0	54	-1.0	-41.68	424.80	6.79	-34.89
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020276069	1	54	-1.0	-41.70	424.80	6.78	-34.92
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020276070	0	55	0.0	-70.03	431.67	6.28	-63.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020276070	1	55	0.0	-70.05	431.72	6.29	-63.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020276071	0	51	-1.0	-42.17	401.89	5.46	-36.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020276071	1	51	-1.0	-42.17	401.94	5.47	-36.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020276072	0	48	-1.0	-46.03	377.03	4.44	-41.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020276072	1	48	-1.0	-46.01	377.09	4.46	-41.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020276073	0	54	-1.0	-43.61	424.76	6.27	-37.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020276073	1	54	-1.0	-43.62	424.82	6.28	-37.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020276074	0	51	-1.0	-43.88	409.55	6.69	-37.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020276074	1	51	-1.0	-43.86	409.60	6.71	-37.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020276075	0	56	-1.0	-41.56	419.78	3.00	-38.56
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020276075	1	56	-1.0	-41.54	419.83	3.02	-38.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020276076	0	53	-1.0	-42.52	401.08	2.37	-40.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020276076	1	53	-1.0	-42.57	401.14	2.39	-40.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020276077	0	51	-1.0	-44.70	406.27	4.13	-40.57
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020276077	1	51	-1.0	-44.74	406.33	4.14	-40.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020276078	0	48	-1.0	-44.37	391.12	4.57	-39.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020276078	1	48	-1.0	-44.41	391.06	4.55	-39.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020276079	0	51	-1.0	-42.56	420.53	8.19	-34.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020276079	1	51	-1.0	-42.54	420.59	8.20	-34.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020276080	0	48	-1.0	-40.86	403.91	7.56	-33.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020276080	1	48	-1.0	-40.84	403.97	7.58	-33.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020276081	0	51	-1.0	-40.56	414.01	5.70	-34.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020276081	1	51	-1.0	-40.59	414.07	5.72	-34.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020276082	0	48	-1.0	-43.18	392.36	4.92	-38.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020276082	1	48	-1.0	-43.23	392.41	4.94	-38.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020276083	0	44	-1.0	-46.69	386.20	8.05	-38.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020276083	1	44	-1.0	-46.67	386.14	8.03	-38.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020276084	0	41	-1.0	-48.48	364.72	7.27	-41.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020276084	1	41	-1.0	-48.39	364.67	7.25	-41.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020276085	0	51	-1.0	-41.88	414.05	7.80	-34.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020276085	1	51	-1.0	-41.89	414.10	7.81	-34.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020276086	0	48	-1.0	-44.98	397.47	7.18	-37.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020276086	1	48	-1.0	-44.98	397.52	7.20	-37.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020276087	0	56	-1.0	-39.53	420.03	5.79	-33.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020276087	1	56	-1.0	-39.52	420.08	5.80	-33.72
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020276088	0	53	-1.0	-41.92	402.24	5.12	-36.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020276088	1	53	-1.0	-41.94	402.29	5.14	-36.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020276089	0	49	-1.0	-45.58	401.35	4.53	-41.05
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020276089	1	49	-1.0	-45.61	401.41	4.55	-41.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020276090	0	46	-1.0	-45.31	376.00	3.78	-41.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020276090	1	46	-1.0	-45.30	376.05	3.79	-41.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020276091	0	46	-1.0	-60.73	387.27	0.92	-59.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020276091	1	46	-1.0	-60.76	387.33	0.94	-59.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NCC1=C(C)C=CO1	REAL300020276092	0	43	-1.0	-41.79	368.55	6.27	-35.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NCC1=C(C)C=CO1	REAL300020276092	1	43	-1.0	-41.80	368.60	6.29	-35.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1NCC1=C(C)C=CO1	REAL300020276093	0	40	-1.0	-43.59	347.11	5.51	-38.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1NCC1=C(C)C=CO1	REAL300020276093	1	40	-1.0	-43.57	347.05	5.49	-38.08
COCCN1C(NCC2=C(C)C=CO2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020276094	0	47	-1.0	-42.95	396.91	8.23	-34.72
COCCN1C(NCC2=C(C)C=CO2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020276094	1	47	-1.0	-42.93	396.94	8.22	-34.71
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCOC)C2	REAL300020276095	0	53	-1.0	-41.94	416.73	7.73	-34.21
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCOC)C2	REAL300020276095	1	53	-1.0	-41.93	416.78	7.74	-34.19
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCOC)C2	REAL300020276096	0	50	-1.0	-42.05	402.85	7.74	-34.31
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCOC)C2	REAL300020276096	1	50	-1.0	-42.01	402.79	7.71	-34.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020276097	0	45	-1.0	-41.19	353.02	3.82	-37.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020276097	1	45	-1.0	-41.20	353.07	3.83	-37.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020276098	0	42	-1.0	-44.00	332.70	3.08	-40.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020276098	1	42	-1.0	-44.00	332.77	3.10	-40.90
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020276099	0	49	-1.0	-42.09	381.35	5.78	-36.31
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020276099	1	49	-1.0	-42.08	381.39	5.77	-36.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020276100	0	43	-1.0	-41.72	351.81	5.09	-36.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020276100	1	43	-1.0	-41.72	351.86	5.10	-36.62
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020276101	0	40	-1.0	-40.77	327.94	4.46	-36.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020276101	1	40	-1.0	-40.79	328.00	4.49	-36.30
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020276102	0	47	-1.0	-41.64	377.73	7.18	-34.46
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020276102	1	47	-1.0	-41.61	377.76	7.19	-34.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020276103	0	45	-1.0	-49.39	378.52	1.24	-48.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020276103	1	45	-1.0	-49.42	378.57	1.26	-48.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020276104	0	42	-1.0	-51.99	353.98	0.27	-51.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020276104	1	42	-1.0	-51.96	354.04	0.30	-51.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020276105	0	52	-1.0	-41.64	393.48	4.78	-36.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020276105	1	52	-1.0	-41.65	393.54	4.80	-36.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020276106	0	49	-1.0	-41.01	367.83	4.09	-36.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020276106	1	49	-1.0	-41.02	367.89	4.10	-36.92
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276107	0	45	-1.0	-40.02	365.77	5.20	-34.82
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276107	1	45	-1.0	-39.98	365.83	5.22	-34.76
C#C[C@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276108	0	42	-1.0	-45.00	344.68	5.17	-39.83
C#C[C@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276108	1	42	-1.0	-45.03	344.63	5.15	-39.88
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020276109	0	49	-1.0	-42.39	394.30	7.78	-34.61
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020276109	1	49	-1.0	-42.40	394.35	7.78	-34.62
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276110	0	49	-1.0	-43.64	400.79	6.83	-36.81
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276110	1	49	-1.0	-43.65	400.85	6.84	-36.81
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276111	0	46	-1.0	-48.46	379.70	6.09	-42.37
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276111	1	46	-1.0	-48.45	379.64	6.07	-42.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020276112	0	44	-1.0	-44.03	378.67	6.80	-37.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020276112	1	44	-1.0	-44.04	378.61	6.79	-37.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020276113	0	41	-1.0	-45.39	356.54	6.27	-39.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020276113	1	41	-1.0	-45.37	356.48	6.25	-39.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020276114	0	47	-2.0	-80.76	409.48	3.45	-77.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020276114	1	47	-2.0	-80.74	409.54	3.46	-77.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020276114	1	48	-1.0	-53.26	400.40	3.45	-49.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020276114	1	48	-1.0	-53.23	400.45	3.46	-49.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020276115	0	44	-2.0	-83.97	381.96	2.79	-81.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020276115	1	44	-2.0	-84.00	382.01	2.81	-81.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020276115	1	45	-1.0	-54.63	380.91	2.80	-51.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020276115	1	45	-1.0	-54.59	380.96	2.82	-51.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020276116	0	48	-1.0	-49.61	403.85	2.35	-47.26
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020276116	1	48	-1.0	-49.58	403.90	2.36	-47.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020276117	0	45	-1.0	-51.73	389.63	1.45	-50.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020276117	1	45	-1.0	-51.76	389.69	1.47	-50.29
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020276118	0	42	-1.0	-42.28	352.87	5.06	-37.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020276118	1	42	-1.0	-42.25	352.93	5.07	-37.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020276119	0	39	-1.0	-43.04	338.66	4.16	-38.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020276119	1	39	-1.0	-43.06	338.72	4.18	-38.88
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(F)F	REAL300020276120	0	46	-1.0	-42.29	388.52	6.95	-35.34
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(F)F	REAL300020276120	1	46	-1.0	-42.27	388.57	6.94	-35.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020276121	0	46	-1.0	-41.38	371.31	6.06	-35.32
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020276121	1	46	-1.0	-41.34	371.37	6.07	-35.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020276122	0	43	-1.0	-42.50	359.15	5.24	-37.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020276122	1	43	-1.0	-42.55	359.21	5.26	-37.29
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC(F)C1	REAL300020276123	0	50	-1.0	-41.02	408.79	8.01	-33.01
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC(F)C1	REAL300020276123	1	50	-1.0	-41.00	408.83	8.01	-32.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020276124	0	50	-1.0	-59.13	417.62	4.90	-54.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020276124	1	50	-1.0	-59.10	417.56	4.88	-54.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020276125	0	47	-1.0	-50.25	382.33	2.41	-47.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020276125	1	47	-1.0	-50.27	382.40	2.41	-47.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020276126	0	44	-1.0	-54.08	362.48	1.58	-52.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020276126	1	44	-1.0	-54.08	362.54	1.60	-52.48
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276127	0	45	-1.0	-42.30	378.99	3.86	-38.44
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276127	1	45	-1.0	-42.32	379.04	3.87	-38.45
C#CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276128	0	42	-1.0	-44.00	357.54	3.09	-40.91
C#CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276128	1	42	-1.0	-44.03	357.49	3.05	-40.98
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020276129	0	49	-1.0	-43.36	407.18	5.80	-37.56
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020276129	1	49	-1.0	-43.32	407.22	5.78	-37.54
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020276130	0	53	-1.0	-42.13	435.15	5.60	-36.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020276130	1	53	-1.0	-42.11	435.21	5.62	-36.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020276131	0	50	-1.0	-44.32	413.64	4.82	-39.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020276131	1	50	-1.0	-44.36	413.70	4.84	-39.52
COCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276132	0	50	-1.0	-41.47	400.39	4.65	-36.82
COCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276132	1	50	-1.0	-41.51	400.45	4.67	-36.84
COCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276133	0	47	-1.0	-44.24	375.00	3.90	-40.34
COCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276133	1	47	-1.0	-44.28	375.05	3.92	-40.36
COCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020276134	0	54	-1.0	-42.29	428.55	6.47	-35.82
COCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020276134	1	54	-1.0	-42.26	428.58	6.47	-35.79
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020276135	0	47	-1.0	-43.57	402.67	5.67	-37.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020276135	1	47	-1.0	-43.57	402.73	5.69	-37.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020276136	0	47	-1.0	-44.51	407.27	7.77	-36.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020276136	1	47	-1.0	-44.50	407.33	7.80	-36.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020276137	0	53	-1.0	-39.71	422.42	8.26	-31.45
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020276137	1	53	-1.0	-39.73	422.48	8.27	-31.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020276138	0	50	-1.0	-42.81	418.96	8.10	-34.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020276138	1	50	-1.0	-42.77	418.91	8.07	-34.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020276139	0	50	-1.0	-41.08	406.78	5.62	-35.46
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020276139	1	50	-1.0	-41.08	406.83	5.63	-35.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020276140	0	47	-1.0	-41.79	385.34	4.86	-36.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020276140	1	47	-1.0	-41.75	385.29	4.82	-36.93
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020276141	0	43	-1.0	-44.80	355.69	4.32	-40.48
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020276141	1	43	-1.0	-44.77	355.74	4.34	-40.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020276142	0	40	-1.0	-42.67	335.25	4.38	-38.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020276142	1	40	-1.0	-42.67	335.19	4.35	-38.32
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020276143	0	47	-1.0	-44.89	378.24	6.77	-38.12
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020276143	1	47	-1.0	-44.87	378.28	6.76	-38.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020276144	0	56	-1.0	-39.15	414.02	8.10	-31.05
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020276144	1	56	-1.0	-39.18	414.07	8.11	-31.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020276145	0	53	-1.0	-41.44	392.22	7.29	-34.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020276145	1	53	-1.0	-41.43	392.28	7.30	-34.13
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020276146	0	53	-1.0	-40.09	417.57	7.23	-32.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020276146	1	53	-1.0	-40.10	417.63	7.25	-32.85
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020276147	0	50	-1.0	-42.69	395.55	6.65	-36.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020276147	1	50	-1.0	-42.76	395.60	6.66	-36.10
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020276148	0	48	-1.0	-51.51	399.47	5.92	-45.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020276148	1	48	-1.0	-51.54	399.53	5.95	-45.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020276149	0	47	-1.0	-45.20	387.14	6.42	-38.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020276149	1	47	-1.0	-45.19	387.20	6.44	-38.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020276150	0	51	-1.0	-46.70	403.41	6.71	-39.99
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020276150	1	51	-1.0	-46.69	403.47	6.73	-39.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020276151	0	53	-1.0	-47.11	438.43	5.79	-41.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020276151	1	53	-1.0	-47.14	438.49	5.82	-41.32
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020276152	0	44	-1.0	-44.77	379.58	4.16	-40.61
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020276152	1	44	-1.0	-44.76	379.63	4.18	-40.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020276153	0	41	-1.0	-41.37	358.34	4.12	-37.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020276153	1	41	-1.0	-41.43	358.40	4.15	-37.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020276154	0	52	-1.0	-41.57	417.02	6.58	-34.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020276154	1	52	-1.0	-41.59	417.08	6.59	-35.00
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020276155	0	49	-1.0	-43.34	394.87	5.76	-37.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020276155	1	49	-1.0	-43.36	394.94	5.78	-37.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020276156	0	53	-1.0	-45.04	433.92	7.39	-37.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020276156	1	53	-1.0	-45.00	433.97	7.41	-37.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020276157	0	53	-1.0	-41.92	407.95	7.24	-34.68
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020276157	1	53	-1.0	-41.93	408.00	7.26	-34.67
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020276158	0	50	-1.0	-42.37	391.80	6.66	-35.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020276158	1	50	-1.0	-42.35	391.86	6.67	-35.68
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020276159	0	51	-1.0	-47.44	403.13	8.75	-38.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020276159	1	51	-1.0	-47.49	403.18	8.77	-38.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020276160	0	48	-1.0	-50.97	381.37	8.17	-42.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020276160	1	48	-1.0	-50.93	381.32	8.16	-42.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020276161	0	56	-1.0	-39.01	411.63	7.81	-31.20
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020276161	1	56	-1.0	-39.02	411.69	7.83	-31.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020276162	0	53	-1.0	-41.67	399.20	7.09	-34.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020276162	1	53	-1.0	-41.70	399.26	7.12	-34.58
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020276163	0	46	-1.0	-40.58	372.23	5.99	-34.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020276163	1	46	-1.0	-40.58	372.28	6.00	-34.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020276164	0	43	-1.0	-42.30	363.32	5.24	-37.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020276164	1	43	-1.0	-42.27	363.37	5.26	-37.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020276165	0	54	-1.0	-43.21	415.84	5.93	-37.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020276165	1	54	-1.0	-43.24	415.90	5.96	-37.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020276166	0	48	-1.0	-43.92	383.58	2.80	-41.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020276166	1	48	-1.0	-43.87	383.64	2.82	-41.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020276167	0	45	-1.0	-45.29	362.12	2.02	-43.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020276167	1	45	-1.0	-45.29	362.18	2.04	-43.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020276168	0	44	-1.0	-44.70	376.79	5.42	-39.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020276168	1	44	-1.0	-44.67	376.85	5.43	-39.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020276169	0	41	-1.0	-46.48	359.06	4.74	-41.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020276169	1	41	-1.0	-46.52	359.13	4.76	-41.76
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020276170	0	51	-1.0	-46.05	397.31	3.59	-42.46
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020276170	1	51	-1.0	-46.05	397.37	3.61	-42.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020276171	0	48	-1.0	-48.04	375.61	2.99	-45.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020276171	1	48	-1.0	-48.04	375.66	3.00	-45.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020276172	0	51	-1.0	-42.41	408.60	4.16	-38.25
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020276172	1	51	-1.0	-42.41	408.66	4.18	-38.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020276173	0	48	-1.0	-43.79	387.21	3.59	-40.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020276173	1	48	-1.0	-43.80	387.27	3.62	-40.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020276174	0	45	-1.0	-43.86	363.09	4.20	-39.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020276174	1	45	-1.0	-43.86	363.15	4.21	-39.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020276175	0	42	-1.0	-45.19	351.84	3.94	-41.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020276175	1	42	-1.0	-45.21	351.90	3.96	-41.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020276176	0	50	-1.0	-43.57	404.75	7.86	-35.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020276176	1	50	-1.0	-43.61	404.80	7.87	-35.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020276177	0	47	-1.0	-43.91	376.80	7.33	-36.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020276177	1	47	-1.0	-43.92	376.86	7.35	-36.57
CCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020276178	0	52	-1.0	-39.21	410.43	7.23	-31.98
CCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276178	1	52	-1.0	-39.21	410.48	7.25	-31.96
CCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020276179	0	49	-1.0	-41.87	388.91	6.45	-35.42
CCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276179	1	49	-1.0	-41.83	388.97	6.47	-35.36
CCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CC1	REAL300020276180	0	56	-1.0	-39.96	437.36	9.20	-30.76
CCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CC1	REAL300020276180	1	56	-1.0	-39.93	437.39	9.20	-30.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020276181	0	46	-1.0	-44.95	391.33	5.30	-39.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020276181	1	46	-1.0	-44.97	391.39	5.33	-39.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020276182	0	40	-1.0	-41.63	335.38	3.73	-37.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020276182	1	40	-1.0	-41.65	335.44	3.75	-37.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020276183	0	37	-1.0	-42.75	308.39	3.06	-39.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020276183	1	37	-1.0	-42.73	308.33	3.04	-39.69
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020276184	0	44	-1.0	-43.07	366.16	5.86	-37.21
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020276184	1	44	-1.0	-42.99	366.19	5.84	-37.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020276185	0	50	-1.0	-43.51	405.72	2.64	-40.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020276185	1	50	-1.0	-43.55	405.77	2.66	-40.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020276186	0	47	-1.0	-45.48	380.78	1.71	-43.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020276186	1	47	-1.0	-45.52	380.83	1.72	-43.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020276187	0	47	-1.0	-39.84	367.20	6.25	-33.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020276187	1	47	-1.0	-39.81	367.26	6.26	-33.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020276188	0	44	-1.0	-42.86	345.01	5.50	-37.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020276188	1	44	-1.0	-42.89	345.07	5.52	-37.37
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020276189	0	51	-1.0	-41.05	398.63	8.22	-32.83
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020276189	1	51	-1.0	-41.08	398.67	8.21	-32.87
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020276190	0	47	-1.0	-41.34	358.07	5.43	-35.91
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020276190	1	47	-1.0	-41.33	358.13	5.45	-35.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020276191	0	44	-1.0	-43.96	343.02	4.91	-39.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020276191	1	44	-1.0	-43.97	342.97	4.88	-39.09
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020276192	0	51	-1.0	-41.80	390.14	7.55	-34.25
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020276192	1	51	-1.0	-41.76	390.18	7.53	-34.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020276193	0	50	-1.0	-42.00	410.94	5.33	-36.67
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020276193	1	50	-1.0	-42.01	410.88	5.32	-36.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020276194	0	47	-1.0	-43.26	388.79	4.76	-38.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020276194	1	47	-1.0	-43.21	388.74	4.73	-38.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020276195	0	46	-1.0	-39.65	371.62	5.76	-33.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020276195	1	46	-1.0	-39.64	371.68	5.78	-33.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020276196	0	43	-1.0	-41.74	348.66	5.29	-36.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020276196	1	43	-1.0	-41.71	348.72	5.32	-36.39
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020276197	0	50	-1.0	-40.66	403.64	7.87	-32.79
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020276197	1	50	-1.0	-40.60	403.70	7.86	-32.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020276198	0	52	-1.0	-45.98	403.58	-0.47	-46.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020276198	1	52	-1.0	-45.96	403.63	-0.45	-46.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020276199	0	51	-1.0	-44.28	421.74	1.91	-42.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020276199	1	51	-1.0	-44.31	421.79	1.92	-42.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020276200	0	48	-1.0	-45.50	400.24	1.12	-44.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020276200	1	48	-1.0	-45.48	400.30	1.15	-44.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020276201	0	51	-1.0	-47.14	408.41	3.78	-43.36
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020276201	1	51	-1.0	-47.16	408.46	3.79	-43.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020276202	0	48	-1.0	-49.04	383.20	3.11	-45.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020276202	1	48	-1.0	-49.04	383.26	3.14	-45.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020276203	0	49	-1.0	-42.00	397.61	6.83	-35.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020276203	1	49	-1.0	-42.01	397.67	6.85	-35.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020276204	0	46	-1.0	-44.43	377.96	5.90	-38.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020276204	1	46	-1.0	-44.42	378.01	5.93	-38.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020276205	0	54	-1.0	-44.40	427.39	5.22	-39.18
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020276205	1	54	-1.0	-44.46	427.45	5.23	-39.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020276206	0	51	-1.0	-43.94	410.89	5.55	-38.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020276206	1	51	-1.0	-43.97	410.94	5.57	-38.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020276207	0	47	-1.0	-41.28	364.83	2.23	-39.05
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020276207	1	47	-1.0	-41.29	364.89	2.24	-39.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020276208	0	44	-1.0	-42.99	337.14	1.60	-41.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020276208	1	44	-1.0	-43.02	337.18	1.60	-41.42
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020276209	0	51	-1.0	-42.77	392.01	4.16	-38.61
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020276209	1	51	-1.0	-42.71	392.05	4.15	-38.56
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020276210	0	54	-1.0	-39.86	401.85	3.85	-36.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020276210	1	54	-1.0	-39.87	401.90	3.86	-36.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020276211	0	51	-1.0	-42.67	396.98	3.80	-38.87
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020276211	1	51	-1.0	-42.64	397.04	3.83	-38.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020276212	0	50	-1.0	-43.78	408.77	8.64	-35.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020276212	1	50	-1.0	-43.74	408.71	8.61	-35.13
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020276213	0	54	-1.0	-40.10	423.50	8.70	-31.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020276213	1	54	-1.0	-40.13	423.56	8.71	-31.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020276214	0	51	-1.0	-43.26	405.82	8.06	-35.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020276214	1	51	-1.0	-43.27	405.76	8.03	-35.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020276215	0	55	-1.0	-41.87	420.81	4.75	-37.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020276215	1	55	-1.0	-41.88	420.86	4.76	-37.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020276216	0	52	-1.0	-43.77	408.58	3.69	-40.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020276216	1	52	-1.0	-43.84	408.64	3.72	-40.12
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C(C)C1CCC1	REAL300020276217	0	52	-1.0	-39.97	396.46	7.23	-32.74
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C(C)C1CCC1	REAL300020276217	1	52	-1.0	-39.94	396.52	7.25	-32.69
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C(C)C1CCC1	REAL300020276218	0	49	-1.0	-42.76	383.28	4.74	-38.02
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C(C)C1CCC1	REAL300020276218	1	49	-1.0	-42.78	383.34	4.77	-38.01
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC)C(C)C1CCC1	REAL300020276219	0	56	-1.0	-40.90	425.18	9.15	-31.75
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC)C(C)C1CCC1	REAL300020276219	1	56	-1.0	-40.91	425.23	9.14	-31.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020276220	0	54	-1.0	-44.40	427.39	5.22	-39.18
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020276220	1	54	-1.0	-44.46	427.45	5.23	-39.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020276221	0	51	-1.0	-43.94	410.89	5.55	-38.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020276221	1	51	-1.0	-43.97	410.94	5.57	-38.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020276222	0	41	-1.0	-38.23	366.41	6.15	-32.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020276222	1	41	-1.0	-38.24	366.46	6.17	-32.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020276223	0	38	-1.0	-39.93	344.84	5.36	-34.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020276223	1	38	-1.0	-39.99	344.90	5.39	-34.60
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276224	0	49	-1.0	-40.45	400.54	6.80	-33.65
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276224	1	49	-1.0	-40.46	400.60	6.82	-33.64
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276225	0	46	-1.0	-42.55	383.78	7.16	-35.39
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276225	1	46	-1.0	-42.58	383.73	7.14	-35.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020276226	0	48	-1.0	-48.83	385.30	3.66	-45.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020276226	1	48	-1.0	-48.84	385.36	3.68	-45.16
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020276227	0	44	-1.0	-40.71	358.07	4.93	-35.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020276227	1	44	-1.0	-40.70	358.12	4.94	-35.76
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020276228	0	41	-1.0	-42.33	333.72	4.28	-38.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020276228	1	41	-1.0	-42.34	333.66	4.25	-38.09
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC12CC2	REAL300020276229	0	48	-1.0	-41.42	385.77	6.89	-34.53
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC12CC2	REAL300020276229	1	48	-1.0	-41.40	385.82	6.89	-34.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020276230	0	56	-1.0	-42.04	435.73	8.86	-33.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020276230	1	56	-1.0	-42.07	435.79	8.89	-33.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020276231	0	48	-1.0	-41.19	386.98	6.25	-34.94
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020276231	1	48	-1.0	-41.21	387.04	6.26	-34.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020276232	0	45	-1.0	-43.58	358.90	5.68	-37.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020276232	1	45	-1.0	-43.60	358.96	5.70	-37.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020276233	0	48	-1.0	-46.25	377.08	2.44	-43.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020276233	1	48	-1.0	-46.27	377.14	2.46	-43.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020276234	0	45	-1.0	-47.29	354.98	1.92	-45.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020276234	1	45	-1.0	-47.29	355.04	1.94	-45.35
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276235	0	52	-1.0	-40.93	422.10	8.02	-32.91
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276235	1	52	-1.0	-40.92	422.16	8.04	-32.88
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020276236	0	49	-1.0	-39.79	399.75	6.40	-33.39
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020276236	1	49	-1.0	-39.80	399.81	6.41	-33.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020276237	0	46	-1.0	-41.41	377.63	5.81	-35.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020276237	1	46	-1.0	-41.44	377.69	5.84	-35.60
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020276238	0	43	-1.0	-42.47	346.37	2.17	-40.30
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020276238	1	43	-1.0	-42.49	346.43	2.18	-40.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020276239	0	40	-1.0	-46.58	329.57	1.58	-45.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020276239	1	40	-1.0	-46.55	329.63	1.60	-44.95
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020276240	0	47	-1.0	-43.96	379.51	4.33	-39.63
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020276240	1	47	-1.0	-43.96	379.56	4.32	-39.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020276241	0	44	-1.0	-45.48	364.22	2.79	-42.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020276241	1	44	-1.0	-45.45	364.28	2.81	-42.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020276242	0	41	-1.0	-45.75	348.40	1.89	-43.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020276242	1	41	-1.0	-45.67	348.35	1.87	-43.80
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN=NN1C	REAL300020276243	0	48	-1.0	-48.03	386.97	4.71	-43.32
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN=NN1C	REAL300020276243	1	48	-1.0	-47.95	387.00	4.70	-43.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020276244	0	47	-1.0	-39.86	381.25	5.28	-34.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020276244	1	47	-1.0	-39.84	381.31	5.29	-34.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020276245	0	44	-1.0	-41.59	367.25	4.35	-37.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020276245	1	44	-1.0	-41.59	367.30	4.37	-37.22
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC1CC1	REAL300020276246	0	51	-1.0	-41.58	419.87	6.75	-34.83
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC1CC1	REAL300020276246	1	51	-1.0	-41.59	419.91	6.75	-34.84
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020276247	0	56	-1.0	-39.27	433.52	6.38	-32.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020276247	1	56	-1.0	-39.32	433.58	6.39	-32.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020276248	0	53	-1.0	-42.38	414.16	5.68	-36.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020276248	1	53	-1.0	-42.36	414.21	5.70	-36.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020276249	0	50	-1.0	-49.55	409.04	2.48	-47.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020276249	1	50	-1.0	-49.54	409.10	2.50	-47.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020276250	0	47	-1.0	-51.48	384.82	1.50	-49.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020276250	1	47	-1.0	-51.43	384.88	1.53	-49.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020276251	0	48	-1.0	-46.20	389.98	3.95	-42.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020276251	1	48	-1.0	-46.24	390.04	3.98	-42.26
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276252	0	49	-1.0	-42.84	409.14	7.26	-35.58
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276252	1	49	-1.0	-42.89	409.19	7.27	-35.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020276253	0	54	-1.0	-42.21	429.41	5.30	-36.91
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020276253	1	54	-1.0	-42.20	429.47	5.32	-36.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020276254	0	51	-1.0	-45.09	399.48	4.68	-40.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020276254	1	51	-1.0	-45.09	399.52	4.70	-40.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020276255	0	47	-1.0	-41.69	384.41	6.39	-35.30
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020276255	1	47	-1.0	-41.65	384.47	6.40	-35.25
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020276256	0	44	-1.0	-42.41	363.20	5.86	-36.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020276256	1	44	-1.0	-42.40	363.15	5.85	-36.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020276257	0	45	-1.0	-40.20	397.54	5.78	-34.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020276257	1	45	-1.0	-40.25	397.60	5.80	-34.45
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020276258	0	42	-1.0	-44.89	369.53	4.84	-40.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020276258	1	42	-1.0	-44.91	369.59	4.87	-40.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020276259	0	56	-1.0	-40.80	433.68	6.21	-34.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020276259	1	56	-1.0	-40.81	433.73	6.22	-34.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020276260	0	53	-1.0	-42.62	414.78	5.52	-37.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020276260	1	53	-1.0	-42.64	414.84	5.55	-37.09
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020276261	0	57	-1.0	-40.55	414.20	9.27	-31.28
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020276261	1	57	-1.0	-40.56	414.25	9.28	-31.28
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020276262	0	54	-1.0	-43.92	392.10	8.73	-35.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020276262	1	54	-1.0	-43.96	392.15	8.76	-35.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020276263	0	54	-1.0	-45.32	418.47	8.08	-37.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020276263	1	54	-1.0	-45.31	418.55	8.10	-37.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C1	REAL300020276264	0	44	-1.0	-43.90	361.27	5.43	-38.47
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C1	REAL300020276264	1	44	-1.0	-43.89	361.32	5.45	-38.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C1	REAL300020276265	0	41	-1.0	-45.25	343.29	4.83	-40.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C1	REAL300020276265	1	41	-1.0	-45.29	343.34	4.85	-40.44
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)C1	REAL300020276266	0	48	-1.0	-45.12	393.29	7.43	-37.69
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)C1	REAL300020276266	1	48	-1.0	-45.16	393.33	7.42	-37.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020276267	0	50	-1.0	-42.39	408.29	7.50	-34.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020276267	1	50	-1.0	-42.40	408.35	7.51	-34.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020276268	0	47	-1.0	-44.81	386.62	6.89	-37.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020276268	1	47	-1.0	-44.83	386.68	6.91	-37.92
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020276269	0	53	-1.0	-44.00	429.85	5.71	-38.29
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020276269	1	53	-1.0	-43.94	429.90	5.73	-38.21
CCCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276270	0	51	-1.0	-39.13	399.14	7.04	-32.09
CCCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276270	1	51	-1.0	-39.17	399.20	7.05	-32.12
CCCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276271	0	48	-1.0	-41.26	385.65	6.42	-34.84
CCCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276271	1	48	-1.0	-41.29	385.71	6.44	-34.85
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020276272	0	55	-1.0	-40.71	430.56	9.25	-31.46
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020276272	1	55	-1.0	-40.75	430.60	9.24	-31.51
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020276273	0	50	-1.0	-43.57	404.75	7.86	-35.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020276273	1	50	-1.0	-43.61	404.80	7.87	-35.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020276274	0	47	-1.0	-43.91	376.80	7.33	-36.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020276274	1	47	-1.0	-43.92	376.86	7.35	-36.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020276275	0	47	-1.0	-51.03	409.82	8.49	-42.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020276275	1	47	-1.0	-51.01	409.76	8.47	-42.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020276276	0	48	-1.0	-48.96	404.72	4.66	-44.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020276276	1	48	-1.0	-48.92	404.66	4.64	-44.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020276277	0	45	-1.0	-51.69	383.23	3.88	-47.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020276277	1	45	-1.0	-51.73	383.17	3.86	-47.87
C#CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020276278	0	49	-1.0	-42.84	406.21	5.59	-37.25
C#CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020276278	1	49	-1.0	-42.86	406.26	5.61	-37.25
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276279	0	46	-1.0	-46.51	384.72	5.04	-41.47
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276279	1	46	-1.0	-46.47	384.78	5.06	-41.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020276280	0	47	-1.0	-39.83	367.46	5.82	-34.01
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020276280	1	47	-1.0	-39.82	367.52	5.84	-33.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020276281	0	44	-1.0	-41.96	356.87	4.96	-37.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020276281	1	44	-1.0	-41.94	356.92	4.98	-36.96
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020276282	0	48	-1.0	-49.35	404.99	3.68	-45.67
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020276282	1	48	-1.0	-49.34	404.94	3.67	-45.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020276283	0	45	-1.0	-50.62	378.10	3.01	-47.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020276283	1	45	-1.0	-50.61	378.05	2.98	-47.63
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020276284	0	55	-1.0	-39.81	436.63	9.21	-30.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020276284	1	55	-1.0	-39.79	436.69	9.23	-30.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020276285	0	52	-1.0	-42.36	423.15	8.39	-33.97
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020276285	1	52	-1.0	-42.38	423.21	8.41	-33.97
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020276286	0	46	-1.0	-41.44	385.78	6.94	-34.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020276286	1	46	-1.0	-41.47	385.83	6.96	-34.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020276287	0	43	-1.0	-43.01	364.27	6.15	-36.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020276287	1	43	-1.0	-43.03	364.33	6.17	-36.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020276288	0	50	-1.0	-45.25	416.44	7.36	-37.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020276288	1	50	-1.0	-45.24	416.38	7.33	-37.91
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020276289	0	52	-1.0	-41.53	409.58	7.84	-33.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020276289	1	52	-1.0	-41.46	409.64	7.85	-33.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020276290	0	49	-1.0	-43.20	387.23	7.01	-36.19
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020276290	1	49	-1.0	-43.24	387.26	7.03	-36.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020276291	0	49	-1.0	-46.52	398.82	5.56	-40.96
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020276291	1	49	-1.0	-46.56	398.88	5.57	-40.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020276292	0	46	-1.0	-49.32	376.52	4.73	-44.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020276292	1	46	-1.0	-49.37	376.57	4.76	-44.61
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276293	0	47	-1.0	-42.31	400.61	7.31	-35.00
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276293	1	47	-1.0	-42.28	400.56	7.29	-34.99
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1=O	REAL300020276294	0	46	-1.0	-43.36	387.92	4.83	-38.53
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1=O	REAL300020276294	1	46	-1.0	-43.40	387.98	4.84	-38.56
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1=O	REAL300020276295	0	43	-1.0	-44.44	366.43	4.04	-40.40
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1=O	REAL300020276295	1	43	-1.0	-44.49	366.49	4.05	-40.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)C1	REAL300020276296	0	44	-1.0	-41.56	354.57	3.42	-38.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)C1	REAL300020276296	1	44	-1.0	-41.56	354.63	3.43	-38.13
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)C1	REAL300020276297	0	41	-1.0	-45.12	332.92	2.63	-42.49
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)C1	REAL300020276297	1	41	-1.0	-45.10	332.98	2.66	-42.44
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)C1	REAL300020276298	0	48	-1.0	-42.31	382.13	5.39	-36.92
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)C1	REAL300020276298	1	48	-1.0	-42.25	382.16	5.38	-36.87
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276299	0	54	-1.0	-41.14	437.97	6.70	-34.44
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276299	1	54	-1.0	-41.15	438.03	6.71	-34.44
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276300	0	51	-1.0	-44.10	417.56	5.98	-38.12
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276300	1	51	-1.0	-44.11	417.50	5.96	-38.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020276301	0	47	-1.0	-44.04	389.02	6.53	-37.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020276301	1	47	-1.0	-44.04	389.08	6.55	-37.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020276302	0	47	-1.0	-40.53	385.10	7.17	-33.36
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020276302	1	47	-1.0	-40.51	385.16	7.19	-33.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020276303	0	44	-1.0	-43.42	363.07	6.37	-37.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020276303	1	44	-1.0	-43.42	363.01	6.35	-37.07
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020276304	0	47	-1.0	-45.31	377.68	4.18	-41.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020276304	1	47	-1.0	-45.39	377.74	4.19	-41.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020276305	0	44	-1.0	-47.23	349.65	3.54	-43.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020276305	1	44	-1.0	-47.22	349.59	3.53	-43.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020276306	0	51	-1.0	-49.99	406.87	2.59	-47.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020276306	1	51	-1.0	-50.01	406.92	2.60	-47.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020276307	0	49	-1.0	-40.99	395.73	6.54	-34.45
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020276307	1	49	-1.0	-41.05	395.78	6.56	-34.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020276308	0	46	-1.0	-45.60	365.07	5.46	-40.14
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020276308	1	46	-1.0	-45.56	365.12	5.48	-40.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020276309	0	56	-1.0	-39.92	446.15	9.07	-30.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020276309	1	56	-1.0	-39.90	446.21	9.08	-30.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020276310	0	53	-1.0	-42.42	420.27	8.42	-34.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020276310	1	53	-1.0	-42.47	420.32	8.43	-34.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020276311	0	57	-1.0	-39.38	411.18	7.61	-31.77
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020276311	1	57	-1.0	-39.43	411.23	7.62	-31.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020276312	0	54	-1.0	-42.28	390.34	6.75	-35.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020276312	1	54	-1.0	-42.33	390.40	6.78	-35.55
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020276313	0	50	-1.0	-40.01	396.28	5.10	-34.91
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020276313	1	50	-1.0	-40.00	396.34	5.11	-34.89
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020276314	0	47	-1.0	-41.32	371.92	4.43	-36.89
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020276314	1	47	-1.0	-41.34	371.97	4.44	-36.90
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CCO1	REAL300020276315	0	54	-1.0	-40.61	423.20	7.00	-33.61
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CCO1	REAL300020276315	1	54	-1.0	-40.63	423.20	6.99	-33.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020276316	0	53	-1.0	-40.37	386.27	7.16	-33.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020276316	1	53	-1.0	-40.36	386.33	7.18	-33.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020276317	0	50	-1.0	-42.09	362.37	6.56	-35.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020276317	1	50	-1.0	-42.07	362.43	6.58	-35.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020276318	0	47	-1.0	-42.32	385.48	7.36	-34.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020276318	1	47	-1.0	-42.38	385.42	7.34	-35.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020276319	0	44	-1.0	-44.17	363.17	6.83	-37.34
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020276319	1	44	-1.0	-44.14	363.11	6.81	-37.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020276320	0	47	-1.0	-48.89	380.03	3.04	-45.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020276320	1	47	-1.0	-48.85	380.09	3.05	-45.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020276321	0	44	-1.0	-50.13	361.45	2.68	-47.45
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020276321	1	44	-1.0	-50.12	361.40	2.65	-47.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020276322	0	47	-1.0	-43.45	385.79	6.58	-36.87
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020276322	1	47	-1.0	-43.46	385.84	6.60	-36.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020276323	0	47	-1.0	-47.31	395.01	6.10	-41.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020276323	1	47	-1.0	-47.32	395.07	6.11	-41.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020276324	0	44	-1.0	-44.22	378.91	5.53	-38.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020276324	1	44	-1.0	-44.21	378.97	5.56	-38.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020276325	0	54	-1.0	-41.87	421.89	8.65	-33.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020276325	1	54	-1.0	-41.86	421.94	8.66	-33.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020276326	0	51	-1.0	-43.98	398.40	8.13	-35.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020276326	1	51	-1.0	-43.98	398.45	8.16	-35.82
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020276327	0	57	-1.0	-40.28	422.15	6.47	-33.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020276327	1	57	-1.0	-40.23	422.21	6.49	-33.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020276328	0	54	-1.0	-42.13	400.18	5.86	-36.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020276328	1	54	-1.0	-42.10	400.24	5.88	-36.22
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020276329	0	51	-1.0	-46.26	403.91	3.44	-42.82
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020276329	1	51	-1.0	-46.22	403.96	3.46	-42.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020276330	0	48	-1.0	-48.46	368.30	2.68	-45.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020276330	1	48	-1.0	-48.44	368.36	2.71	-45.73
CCC=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020276331	0	47	-1.0	-40.62	374.90	6.38	-34.24
CCC=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020276331	1	47	-1.0	-40.63	374.96	6.40	-34.23
CCC=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276332	0	44	-1.0	-41.95	358.09	5.71	-36.24
CCC=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276332	1	44	-1.0	-41.89	358.04	5.69	-36.20
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020276333	0	51	-1.0	-41.11	406.08	8.53	-32.58
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020276333	1	51	-1.0	-41.07	406.11	8.52	-32.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020276334	0	48	-1.0	-48.16	403.63	0.44	-47.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020276334	1	48	-1.0	-48.21	403.69	0.45	-47.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020276335	0	45	-1.0	-51.03	381.92	-0.19	-51.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020276335	1	45	-1.0	-51.03	381.98	-0.17	-51.20
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020276336	0	50	-1.0	-41.15	400.34	3.13	-38.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020276336	1	50	-1.0	-41.15	400.40	3.14	-38.01
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020276337	0	47	-1.0	-43.41	378.84	2.34	-41.07
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020276337	1	47	-1.0	-43.45	378.89	2.37	-41.08
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020276338	0	54	-1.0	-42.10	427.28	5.09	-37.01
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020276338	1	54	-1.0	-42.03	427.31	5.08	-36.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020276339	0	46	-1.0	-41.14	379.69	6.01	-35.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020276339	1	46	-1.0	-41.08	379.75	6.02	-35.06
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020276340	0	43	-1.0	-43.96	361.35	5.33	-38.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020276340	1	43	-1.0	-43.96	361.40	5.35	-38.61
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276341	0	53	0.0	-64.77	408.86	6.69	-58.08
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276341	1	53	0.0	-65.93	412.65	7.14	-58.79
C=CCN1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276341	1	52	-1.0	-39.73	408.26	4.80	-34.93
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020276342	0	50	0.0	-64.09	391.03	6.02	-58.07
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020276342	1	50	0.0	-63.58	391.11	6.34	-57.24
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276342	1	50	0.0	-64.06	391.08	6.05	-58.01
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276342	1	50	0.0	-63.55	391.16	6.37	-57.18
C#CCN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C=N1	REAL300020276343	0	42	-1.0	-48.61	365.93	6.55	-42.06
C#CCN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C=N1	REAL300020276343	1	42	-1.0	-48.59	365.87	6.54	-42.05
C#CCN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CCOC)C=N1	REAL300020276344	0	39	-1.0	-50.16	343.84	6.02	-44.14
C#CCN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CCOC)C=N1	REAL300020276344	1	39	-1.0	-50.14	343.78	6.00	-44.14
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C=N1	REAL300020276345	0	46	-1.0	-49.83	399.06	8.65	-41.18
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C=N1	REAL300020276345	1	46	-1.0	-49.84	399.02	8.66	-41.18
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020276346	0	57	0.0	-66.62	418.39	7.03	-59.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020276346	1	57	0.0	-66.63	418.44	7.04	-59.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020276347	0	54	0.0	-61.85	393.09	6.32	-55.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020276347	1	54	0.0	-61.92	393.14	6.34	-55.58
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020276348	0	53	-1.0	-39.83	404.25	7.16	-32.67
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020276348	1	53	-1.0	-39.85	404.30	7.17	-32.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020276349	0	50	-1.0	-43.98	372.82	5.80	-38.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020276349	1	50	-1.0	-44.03	372.88	5.82	-38.21
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCOC)C1CCOC1	REAL300020276350	0	47	-1.0	-40.86	352.06	3.57	-37.29
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCOC)C1CCOC1	REAL300020276350	1	47	-1.0	-40.83	352.11	3.59	-37.24
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1CCOC1	REAL300020276351	0	44	-1.0	-43.24	340.78	3.21	-40.03
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1CCOC1	REAL300020276351	1	44	-1.0	-43.26	340.83	3.23	-40.03
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC)C1CCOC1	REAL300020276352	0	51	-1.0	-42.12	390.03	5.76	-36.36
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC)C1CCOC1	REAL300020276352	1	51	-1.0	-42.15	390.11	5.75	-36.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020276353	0	53	-1.0	-40.35	400.70	7.45	-32.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020276353	1	53	-1.0	-40.31	400.76	7.47	-32.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020276354	0	50	-1.0	-43.56	376.34	6.61	-36.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020276354	1	50	-1.0	-43.56	376.40	6.62	-36.94
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020276355	0	52	-1.0	-46.58	428.91	3.94	-42.64
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020276355	1	52	-1.0	-46.56	428.97	3.95	-42.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020276356	0	49	-1.0	-47.84	403.66	3.26	-44.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020276356	1	49	-1.0	-47.84	403.72	3.28	-44.56
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020276357	0	53	-1.0	-41.43	416.44	8.43	-33.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020276357	1	53	-1.0	-41.38	416.49	8.45	-32.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020276358	0	50	-1.0	-44.12	407.81	8.00	-36.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020276358	1	50	-1.0	-44.14	407.87	8.03	-36.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020276359	0	46	-1.0	-44.06	395.95	5.06	-39.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020276359	1	46	-1.0	-44.01	396.01	5.08	-38.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020276360	0	43	-1.0	-46.33	380.39	4.18	-42.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020276360	1	43	-1.0	-46.34	380.44	4.21	-42.13
CCN(CCOCCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276361	0	53	-1.0	-41.64	419.01	3.49	-38.15
CCN(CCOCCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276361	1	53	-1.0	-41.63	419.07	3.50	-38.13
CCN(CCOCCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276362	0	50	-1.0	-43.99	400.23	2.84	-41.15
CCN(CCOCCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276362	1	50	-1.0	-44.02	400.29	2.86	-41.16
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276363	0	51	-1.0	-42.39	421.98	6.24	-36.15
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276363	1	51	-1.0	-42.42	422.04	6.26	-36.16
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276364	0	48	-1.0	-43.10	387.63	5.04	-38.06
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276364	1	48	-1.0	-43.17	387.69	5.06	-38.11
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020276365	0	52	-1.0	-51.56	400.36	2.54	-49.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020276365	1	52	-1.0	-51.62	400.10	2.55	-49.07
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276366	0	55	-1.0	-39.71	419.70	5.40	-34.31
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276366	1	55	-1.0	-39.68	419.76	5.41	-34.27
CCN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276367	0	52	-1.0	-42.08	401.00	4.74	-37.34
CCN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276367	1	52	-1.0	-42.08	401.06	4.77	-37.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020276368	0	50	-1.0	-49.19	403.43	4.89	-44.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020276368	1	50	-1.0	-49.22	403.49	4.90	-44.32
C=CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020276369	0	47	-1.0	-39.22	379.59	6.23	-32.99
C=CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020276369	1	47	-1.0	-39.24	379.64	6.24	-33.00
C=CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276370	0	44	-1.0	-41.64	361.87	5.58	-36.06
C=CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276370	1	44	-1.0	-41.67	361.82	5.56	-36.11
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020276371	0	51	-1.0	-41.25	400.68	8.39	-32.86
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020276371	1	51	-1.0	-41.25	400.72	8.39	-32.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020276372	0	55	-1.0	-39.45	425.31	6.38	-33.07
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020276372	1	55	-1.0	-39.44	425.37	6.39	-33.05
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020276373	0	52	-1.0	-40.77	397.99	5.93	-34.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020276373	1	52	-1.0	-40.79	398.04	5.95	-34.84
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020276374	0	53	-1.0	-39.86	391.66	5.14	-34.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020276374	1	53	-1.0	-39.85	391.72	5.16	-34.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020276375	0	50	-1.0	-42.12	380.28	4.57	-37.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020276375	1	50	-1.0	-42.13	380.34	4.60	-37.53
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020276376	0	45	-1.0	-41.46	378.35	2.56	-38.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020276376	1	45	-1.0	-41.44	378.41	2.58	-38.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020276377	0	42	-1.0	-42.55	350.78	1.91	-40.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020276377	1	42	-1.0	-42.53	350.72	1.89	-40.64
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020276378	0	49	-1.0	-42.72	396.18	4.60	-38.12
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020276378	1	49	-1.0	-42.72	396.18	4.60	-38.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020276379	0	52	-1.0	-39.26	403.53	4.64	-34.62
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020276379	1	53	0.0	-61.66	402.61	6.84	-54.82
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020276379	1	53	0.0	-60.94	411.55	7.07	-53.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020276379	1	52	-1.0	-39.25	403.59	4.66	-34.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020276380	0	50	0.0	-59.00	390.00	6.27	-52.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020276380	1	50	0.0	-59.62	389.99	6.27	-53.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020276380	1	50	0.0	-59.00	390.05	6.29	-52.71
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020276380	1	50	0.0	-59.59	390.05	6.29	-53.30
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020276380	1	49	-1.0	-41.59	385.46	3.96	-37.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020276380	1	49	-1.0	-41.61	385.52	3.99	-37.62
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020276381	0	55	-1.0	-40.66	418.25	3.79	-36.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020276381	1	55	-1.0	-40.66	418.31	3.80	-36.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020276382	0	52	-1.0	-42.68	408.33	3.58	-39.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020276382	1	52	-1.0	-42.68	408.39	3.60	-39.08
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020276383	0	52	-1.0	-43.12	413.41	6.86	-36.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020276383	1	52	-1.0	-43.12	413.47	6.89	-36.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020276384	0	47	-1.0	-41.92	395.32	8.04	-33.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020276384	1	47	-1.0	-41.93	395.38	8.07	-33.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020276385	0	54	-1.0	-47.48	427.31	7.93	-39.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020276385	1	54	-1.0	-47.45	427.35	7.95	-39.50
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020276386	0	46	-1.0	-39.89	383.63	6.23	-33.66
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020276386	1	46	-1.0	-39.88	383.68	6.24	-33.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020276387	0	43	-1.0	-41.02	363.74	5.28	-35.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020276387	1	43	-1.0	-41.03	363.79	5.30	-35.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020276388	0	49	-1.0	-41.18	382.93	6.99	-34.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020276388	1	49	-1.0	-41.18	382.98	7.00	-34.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020276389	0	46	-1.0	-41.90	354.35	4.90	-37.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020276389	1	46	-1.0	-41.93	354.41	4.92	-37.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020276390	0	59	-1.0	-40.69	440.32	8.56	-32.13
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020276390	1	59	-1.0	-40.69	440.38	8.58	-32.11
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020276391	0	56	-1.0	-42.61	413.32	7.88	-34.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020276391	1	56	-1.0	-42.63	413.37	7.90	-34.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020276392	0	47	-1.0	-47.83	409.54	9.48	-38.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020276392	1	47	-1.0	-47.84	409.48	9.44	-38.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020276393	0	43	-1.0	-39.98	348.48	4.93	-35.05
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020276393	1	43	-1.0	-39.99	348.53	4.95	-35.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020276394	0	40	-1.0	-43.60	331.81	4.52	-39.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020276394	1	40	-1.0	-43.55	331.88	4.55	-39.00
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1C	REAL300020276395	0	47	-1.0	-41.64	380.92	7.02	-34.62
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1C	REAL300020276395	1	47	-1.0	-41.63	380.94	7.03	-34.60
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276396	0	53	-1.0	-40.86	437.00	9.13	-31.73
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276396	1	53	-1.0	-40.88	437.06	9.14	-31.74
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276397	0	50	-1.0	-45.73	410.00	7.48	-38.25
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276397	1	50	-1.0	-45.72	409.95	7.44	-38.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020276398	0	47	-1.0	-46.09	400.95	8.78	-37.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020276398	1	47	-1.0	-46.12	400.89	8.76	-37.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020276399	0	58	-1.0	-38.17	428.14	7.42	-30.75
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020276399	1	58	-1.0	-38.17	428.20	7.44	-30.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020276400	0	55	-1.0	-40.93	410.87	6.75	-34.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020276400	1	55	-1.0	-40.94	410.93	6.77	-34.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020276401	0	50	-1.0	-39.94	389.70	6.96	-32.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020276401	1	50	-1.0	-39.90	389.76	6.97	-32.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020276402	0	47	-1.0	-41.82	372.32	6.28	-35.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020276402	1	47	-1.0	-41.83	372.38	6.31	-35.52
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020276403	0	54	-1.0	-41.28	410.74	8.93	-32.35
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020276403	1	54	-1.0	-41.25	410.77	8.92	-32.33
CCC1COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020276404	0	50	-1.0	-39.27	384.67	5.32	-33.95
CCC1COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020276404	1	50	-1.0	-39.26	384.73	5.33	-33.93
CCC1COCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276405	0	47	-1.0	-40.63	362.31	4.76	-35.87
CCC1COCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276405	1	47	-1.0	-40.64	362.36	4.79	-35.85
CCC1COCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020276406	0	54	-1.0	-40.75	419.55	6.64	-34.11
CCC1COCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020276406	1	54	-1.0	-40.77	419.58	6.63	-34.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020276407	0	59	-1.0	-39.82	420.11	8.82	-31.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020276407	1	59	-1.0	-39.86	420.16	8.84	-31.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020276408	0	56	-1.0	-41.84	403.43	8.19	-33.65
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020276408	1	56	-1.0	-41.90	403.49	8.21	-33.69
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020276409	0	52	-1.0	-56.37	397.32	3.83	-52.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020276409	1	52	-1.0	-56.42	397.38	3.85	-52.57
CC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020276410	0	47	-1.0	-40.12	376.19	4.50	-35.62
CC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020276410	1	47	-1.0	-40.12	376.25	4.51	-35.61
CC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020276411	0	44	-1.0	-41.94	361.12	3.57	-38.37
CC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020276411	1	44	-1.0	-41.99	361.18	3.60	-38.39
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CCO1	REAL300020276412	0	51	-1.0	-41.29	399.56	6.41	-34.88
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CCO1	REAL300020276412	1	51	-1.0	-41.31	399.59	6.40	-34.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020276413	0	47	-1.0	-42.65	381.15	6.45	-36.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020276413	1	47	-1.0	-42.69	381.21	6.46	-36.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020276414	0	54	-1.0	-39.71	412.02	8.45	-31.26
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020276414	1	54	-1.0	-39.79	412.08	8.47	-31.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020276415	0	51	-1.0	-43.01	385.74	7.58	-35.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020276415	1	51	-1.0	-42.96	385.81	7.59	-35.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020276416	0	51	-1.0	-46.65	421.96	1.07	-45.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020276416	1	51	-1.0	-46.65	422.02	1.09	-45.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020276417	0	48	-1.0	-48.44	399.02	0.59	-47.85
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020276417	1	48	-1.0	-48.40	399.07	0.61	-47.79
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020276418	0	49	-1.0	-41.93	401.28	7.70	-34.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020276418	1	49	-1.0	-41.97	401.34	7.72	-34.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020276419	0	46	-1.0	-43.28	392.33	6.98	-36.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020276419	1	46	-1.0	-43.26	392.38	7.01	-36.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020276420	0	52	-1.0	-43.43	411.74	-0.27	-43.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020276420	1	52	-1.0	-43.44	411.80	-0.26	-43.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020276421	0	49	-1.0	-45.10	393.98	-0.94	-46.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020276421	1	49	-1.0	-45.11	394.04	-0.91	-46.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020276422	0	44	-1.0	-39.32	363.96	4.44	-34.88
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020276422	1	44	-1.0	-39.32	364.01	4.46	-34.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020276423	0	41	-1.0	-41.13	342.71	3.91	-37.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020276423	1	41	-1.0	-41.13	342.77	3.94	-37.19
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC[C@H]1C	REAL300020276424	0	48	-1.0	-40.48	392.29	6.61	-33.87
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC[C@H]1C	REAL300020276424	1	48	-1.0	-40.42	392.33	6.59	-33.83
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020276425	0	54	-1.0	-47.07	433.33	7.38	-39.69
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276425	1	54	-1.0	-47.03	433.39	7.39	-39.64
C=CCCC1(C#N)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020276426	0	51	-1.0	-49.68	415.55	6.72	-42.96
C=CCCC1(C#N)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276426	1	51	-1.0	-49.66	415.60	6.75	-42.91
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276427	0	53	-1.0	-40.75	426.68	8.09	-32.66
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276427	1	53	-1.0	-40.78	426.74	8.11	-32.67
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276428	0	50	-1.0	-43.69	405.29	7.47	-36.22
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276428	1	50	-1.0	-43.67	405.23	7.44	-36.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020276429	0	56	-1.0	-39.96	409.48	8.56	-31.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020276429	1	56	-1.0	-39.98	409.54	8.57	-31.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020276430	0	53	-1.0	-43.33	390.28	7.83	-35.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020276430	1	53	-1.0	-43.36	390.34	7.85	-35.51
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276431	0	50	-1.0	-40.51	411.69	7.49	-33.02
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276431	1	50	-1.0	-40.53	411.74	7.51	-33.02
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276432	0	47	-1.0	-42.62	390.28	6.86	-35.76
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276432	1	47	-1.0	-42.58	390.22	6.84	-35.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020276433	0	48	-1.0	-43.17	391.49	3.72	-39.45
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020276433	1	48	-1.0	-43.14	391.55	3.73	-39.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020276434	0	45	-1.0	-46.47	373.65	3.05	-43.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020276434	1	45	-1.0	-46.45	373.70	3.07	-43.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020276435	0	53	-1.0	-39.72	390.39	7.08	-32.64
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020276435	1	53	-1.0	-39.70	390.45	7.10	-32.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020276436	0	50	-1.0	-41.50	376.85	6.24	-35.26
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020276436	1	50	-1.0	-41.49	376.91	6.25	-35.24
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020276437	0	48	-1.0	-49.85	401.05	0.52	-49.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020276437	1	48	-1.0	-49.82	401.11	0.54	-49.28
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020276438	0	45	-1.0	-53.04	374.27	-0.17	-53.21
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020276438	1	45	-1.0	-52.98	374.33	-0.16	-53.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020276439	0	46	-1.0	-40.22	391.92	6.14	-34.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020276439	1	46	-1.0	-40.23	391.98	6.16	-34.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020276440	0	43	-1.0	-41.82	370.44	5.36	-36.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020276440	1	43	-1.0	-41.84	370.49	5.38	-36.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020276441	0	43	-1.0	-43.22	372.66	5.53	-37.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020276441	1	43	-1.0	-43.23	372.72	5.55	-37.68
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020276442	0	45	-1.0	-43.92	375.82	5.52	-38.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020276442	1	45	-1.0	-43.94	375.88	5.53	-38.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020276443	0	42	-1.0	-45.56	348.91	4.86	-40.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020276443	1	42	-1.0	-45.55	348.86	4.83	-40.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020276444	0	49	-1.0	-42.34	405.63	3.31	-39.03
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020276444	1	49	-1.0	-42.32	405.69	3.32	-39.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020276445	0	46	-1.0	-44.23	384.19	2.55	-41.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020276445	1	46	-1.0	-44.27	384.13	2.52	-41.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020276446	0	56	-1.0	-43.51	447.52	0.34	-43.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020276446	1	56	-1.0	-43.55	447.58	0.36	-43.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020276446	1	57	0.0	-66.98	448.37	2.65	-64.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020276447	0	53	-1.0	-45.87	429.47	-0.33	-46.20
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020276447	1	53	-1.0	-45.85	429.53	-0.31	-46.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020276447	1	54	0.0	-64.93	426.38	2.05	-62.88
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020276448	0	50	-1.0	-40.90	389.80	2.78	-38.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020276448	1	50	-1.0	-40.89	389.86	2.79	-38.10
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020276449	0	47	-1.0	-44.71	368.27	2.22	-42.49
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020276449	1	47	-1.0	-44.72	368.32	2.25	-42.47
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020276450	0	54	-1.0	-42.07	419.69	5.09	-36.98
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020276450	1	54	-1.0	-42.04	419.72	5.08	-36.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020276451	0	54	-1.0	-48.12	411.59	7.13	-40.99
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020276451	1	54	-1.0	-48.10	411.64	7.15	-40.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020276452	0	51	-1.0	-48.26	384.65	6.45	-41.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020276452	1	51	-1.0	-48.26	384.71	6.48	-41.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020276453	0	50	-1.0	-46.12	395.46	2.01	-44.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020276453	1	50	-1.0	-46.12	395.52	2.03	-44.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020276454	0	47	-1.0	-49.53	372.71	1.43	-48.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020276454	1	47	-1.0	-49.56	372.78	1.44	-48.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020276455	0	47	-1.0	-41.79	376.63	4.33	-37.46
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020276455	1	47	-1.0	-41.82	376.69	4.35	-37.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020276456	0	44	-1.0	-42.74	357.29	3.52	-39.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020276456	1	44	-1.0	-42.75	357.34	3.54	-39.21
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020276457	0	51	-1.0	-43.05	400.60	6.25	-36.80
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020276457	1	51	-1.0	-43.01	400.63	6.23	-36.78
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276458	0	45	-1.0	-41.93	369.59	5.52	-36.41
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276458	1	45	-1.0	-41.96	369.64	5.54	-36.42
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276459	0	42	-1.0	-44.70	344.32	5.20	-39.50
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276459	1	42	-1.0	-44.73	344.26	5.17	-39.56
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020276460	0	49	-1.0	-43.01	394.14	7.95	-35.06
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020276460	1	49	-1.0	-42.98	394.19	7.94	-35.04
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020276461	0	48	-1.0	-43.96	397.08	5.23	-38.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020276461	1	48	-1.0	-44.01	397.14	5.26	-38.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020276462	0	49	-1.0	-42.24	419.35	7.78	-34.46
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020276462	1	49	-1.0	-42.25	419.40	7.80	-34.45
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020276463	0	46	-1.0	-44.16	397.78	7.03	-37.13
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020276463	1	46	-1.0	-44.19	397.83	7.04	-37.15
CNC(=O)C1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020276464	0	53	-1.0	-42.79	414.30	4.06	-38.73
CNC(=O)C1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020276464	1	53	-1.0	-42.83	414.36	4.08	-38.75
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276465	0	50	-1.0	-41.93	391.58	3.52	-38.41
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276465	1	50	-1.0	-41.90	391.66	3.54	-38.36
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020276466	0	51	-1.0	-48.89	414.30	2.51	-46.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020276466	1	51	-1.0	-48.97	414.36	2.53	-46.44
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020276467	0	48	-1.0	-50.67	388.69	1.64	-49.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020276467	1	48	-1.0	-50.65	388.76	1.66	-48.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020276468	0	42	-1.0	-41.98	383.98	4.95	-37.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020276468	1	42	-1.0	-41.96	384.02	4.98	-36.98
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276469	0	50	-1.0	-39.99	414.88	7.47	-32.52
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276469	1	50	-1.0	-40.04	414.93	7.48	-32.56
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276470	0	47	-1.0	-42.21	393.43	6.71	-35.50
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276470	1	47	-1.0	-42.20	393.37	6.68	-35.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020276471	0	54	-1.0	-41.69	430.51	2.79	-38.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020276471	1	54	-1.0	-41.70	430.57	2.81	-38.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020276472	0	51	-1.0	-43.20	394.77	1.34	-41.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020276472	1	51	-1.0	-43.20	394.83	1.37	-41.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020276473	0	55	0.0	-62.13	437.51	5.66	-56.47
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020276473	1	55	0.0	-62.13	437.46	5.64	-56.49
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020276474	0	52	0.0	-61.94	415.65	5.06	-56.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020276474	1	52	0.0	-61.93	415.59	5.04	-56.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020276475	0	50	-1.0	-40.64	392.76	7.56	-33.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020276475	1	50	-1.0	-40.65	392.81	7.58	-33.07
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020276476	0	47	-1.0	-42.46	370.65	7.02	-35.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020276476	1	47	-1.0	-42.53	370.71	7.05	-35.48
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020276477	0	54	-1.0	-42.56	437.02	5.98	-36.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020276477	1	54	-1.0	-42.58	437.08	5.99	-36.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020276478	0	51	-1.0	-44.50	415.51	5.18	-39.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020276478	1	51	-1.0	-44.50	415.57	5.20	-39.30
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020276479	0	56	-1.0	-40.79	423.64	4.08	-36.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020276479	1	56	-1.0	-40.78	423.69	4.10	-36.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020276480	0	53	-1.0	-43.01	406.43	3.21	-39.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020276480	1	53	-1.0	-43.03	406.48	3.24	-39.79
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020276481	0	54	-1.0	-44.26	428.78	5.66	-38.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020276481	1	54	-1.0	-44.24	428.84	5.69	-38.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020276482	0	49	-1.0	-43.51	399.40	1.87	-41.64
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020276482	1	49	-1.0	-43.51	399.46	1.88	-41.63
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020276483	0	46	-1.0	-43.57	376.46	1.27	-42.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020276483	1	46	-1.0	-43.61	376.52	1.29	-42.32
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020276484	0	54	-1.0	-40.27	436.37	9.23	-31.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020276484	1	54	-1.0	-40.23	436.42	9.25	-30.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020276485	0	51	-1.0	-42.36	403.52	8.61	-33.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020276485	1	51	-1.0	-42.34	403.60	8.62	-33.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020276486	0	44	-1.0	-41.46	363.52	5.97	-35.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020276486	1	44	-1.0	-41.49	363.57	5.99	-35.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020276487	0	41	-1.0	-41.45	346.71	5.14	-36.31
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020276487	1	41	-1.0	-41.45	346.77	5.16	-36.29
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020276488	0	48	-1.0	-39.78	384.02	4.92	-34.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020276488	1	48	-1.0	-39.82	384.08	4.93	-34.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020276489	0	45	-1.0	-41.61	362.51	4.14	-37.47
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020276489	1	45	-1.0	-41.61	362.57	4.16	-37.45
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020276490	0	52	-1.0	-41.14	411.79	7.07	-34.07
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020276490	1	52	-1.0	-41.11	411.84	7.06	-34.05
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020276491	0	52	-1.0	-51.05	412.08	2.81	-48.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020276491	1	52	-1.0	-51.07	412.13	2.82	-48.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020276492	0	49	-1.0	-53.05	390.59	2.02	-51.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020276492	1	49	-1.0	-53.01	390.65	2.05	-50.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020276493	0	56	-1.0	-39.79	406.60	7.68	-32.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020276493	1	56	-1.0	-39.81	406.66	7.69	-32.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020276494	0	53	-1.0	-43.12	391.86	6.89	-36.23
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020276494	1	53	-1.0	-43.06	391.92	6.92	-36.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020276495	0	51	-1.0	-41.00	395.10	6.78	-34.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020276495	1	51	-1.0	-40.97	395.16	6.80	-34.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020276496	0	48	-1.0	-41.60	368.07	6.09	-35.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020276496	1	48	-1.0	-41.60	368.12	6.11	-35.49
CCCCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020276497	0	61	-1.0	-39.41	474.09	9.75	-29.66
CCCCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020276497	1	61	-1.0	-39.40	474.15	9.77	-29.63
CCCCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276498	0	58	-1.0	-42.92	438.77	8.31	-34.61
CCCCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276498	1	58	-1.0	-42.93	438.82	8.33	-34.60
CCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020276499	0	55	-1.0	-39.38	431.10	8.19	-31.19
CCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020276499	1	55	-1.0	-39.43	431.15	8.21	-31.22
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276500	0	52	-1.0	-43.00	395.77	6.74	-36.26
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276500	1	52	-1.0	-42.99	395.83	6.77	-36.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020276501	0	55	-1.0	-44.55	424.72	6.50	-38.05
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020276501	1	55	-1.0	-44.59	424.77	6.51	-38.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020276502	0	52	-1.0	-40.18	412.21	6.18	-34.00
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020276502	1	52	-1.0	-40.17	412.27	6.19	-33.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020276503	0	49	-1.0	-43.81	390.84	5.39	-38.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020276503	1	49	-1.0	-43.77	390.90	5.42	-38.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020276504	0	52	-1.0	-45.03	415.23	1.24	-43.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020276504	1	52	-1.0	-45.00	415.29	1.26	-43.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020276505	0	51	-1.0	-41.78	402.95	5.66	-36.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020276505	1	51	-1.0	-41.79	403.01	5.68	-36.11
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020276506	0	48	-1.0	-41.36	389.11	5.36	-36.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020276506	1	48	-1.0	-41.36	389.17	5.39	-35.97
CCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020276507	0	46	-1.0	-41.80	366.90	5.70	-36.10
CCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020276507	1	46	-1.0	-41.83	366.95	5.71	-36.12
CCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276508	0	43	-1.0	-46.43	348.60	5.14	-41.29
CCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276508	1	43	-1.0	-46.48	348.65	5.17	-41.31
CCC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020276509	0	50	-1.0	-42.68	398.16	7.85	-34.83
CCC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020276509	1	50	-1.0	-42.66	398.20	7.85	-34.81
CCOC1(OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CC1	REAL300020276510	0	57	-1.0	-39.98	447.19	6.00	-33.98
CCOC1(OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276510	1	57	-1.0	-39.98	447.24	6.01	-33.97
CCOC1(OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CC1	REAL300020276511	0	54	-1.0	-43.24	415.19	5.28	-37.96
CCOC1(OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CC1	REAL300020276511	1	54	-1.0	-43.21	415.25	5.31	-37.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020276512	0	44	-1.0	-41.31	360.39	5.80	-35.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020276512	1	44	-1.0	-41.36	360.45	5.81	-35.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020276513	0	41	-1.0	-43.38	329.78	4.94	-38.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020276513	1	41	-1.0	-43.38	329.84	4.97	-38.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020276514	0	48	-1.0	-40.22	382.22	4.24	-35.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020276514	1	48	-1.0	-40.24	382.28	4.26	-35.98
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020276515	0	45	-1.0	-43.26	364.44	3.58	-39.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020276515	1	45	-1.0	-43.29	364.49	3.60	-39.69
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020276516	0	52	-1.0	-42.96	408.33	6.53	-36.43
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020276516	1	52	-1.0	-42.91	408.38	6.53	-36.38
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020276517	0	50	-1.0	-43.57	411.59	4.79	-38.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020276517	1	50	-1.0	-43.60	411.65	4.80	-38.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020276518	0	47	-1.0	-44.56	390.10	4.00	-40.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020276518	1	47	-1.0	-44.52	390.15	4.03	-40.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020276519	0	56	-1.0	-41.28	433.03	6.35	-34.93
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020276519	1	56	-1.0	-41.23	433.09	6.36	-34.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020276520	0	53	-1.0	-44.84	407.24	5.56	-39.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020276520	1	53	-1.0	-44.85	407.30	5.58	-39.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020276521	0	56	-1.0	-41.14	434.55	6.42	-34.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020276521	1	56	-1.0	-41.10	434.60	6.44	-34.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020276522	0	53	-1.0	-44.27	409.03	5.68	-38.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020276522	1	53	-1.0	-44.27	409.09	5.71	-38.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020276523	0	53	-1.0	-46.17	426.23	6.54	-39.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020276523	1	53	-1.0	-46.20	426.29	6.56	-39.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020276524	0	47	-1.0	-42.54	386.25	5.84	-36.70
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020276524	1	47	-1.0	-42.52	386.31	5.86	-36.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020276525	0	44	-1.0	-43.24	369.55	5.20	-38.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020276525	1	44	-1.0	-43.27	369.61	5.22	-38.05
CCC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C=C1	REAL300020276526	0	49	-1.0	-42.05	405.17	8.79	-33.26
CCC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C=C1	REAL300020276526	1	49	-1.0	-42.06	405.23	8.80	-33.26
CCC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C=C1	REAL300020276527	0	46	-1.0	-47.50	383.68	8.03	-39.47
CCC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C=C1	REAL300020276527	1	46	-1.0	-47.49	383.62	8.00	-39.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020276528	0	49	-1.0	-44.23	386.52	7.40	-36.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020276528	1	49	-1.0	-44.25	386.57	7.42	-36.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020276529	0	46	-1.0	-43.82	377.67	5.68	-38.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020276529	1	46	-1.0	-43.84	377.60	5.66	-38.18
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276530	0	51	-1.0	-43.99	428.73	8.47	-35.52
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276530	1	51	-1.0	-44.00	428.79	8.48	-35.52
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276531	0	48	-1.0	-47.18	410.27	7.63	-39.55
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276531	1	48	-1.0	-47.16	410.33	7.66	-39.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020276532	0	52	-1.0	-45.96	417.98	6.78	-39.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020276532	1	52	-1.0	-45.91	418.04	6.80	-39.11
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020276533	0	43	-1.0	-41.49	370.24	5.51	-35.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020276533	1	43	-1.0	-41.49	370.30	5.54	-35.95
COCCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020276534	0	55	-1.0	-42.46	446.56	3.21	-39.25
COCCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020276534	1	55	-1.0	-42.46	446.62	3.23	-39.23
COCCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020276535	0	52	-1.0	-44.50	429.50	2.33	-42.17
COCCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020276535	1	52	-1.0	-44.57	429.56	2.35	-42.22
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276536	0	51	-1.0	-48.57	416.46	7.02	-41.55
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276536	1	51	-1.0	-48.55	416.51	7.05	-41.50
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020276537	0	50	-1.0	-43.20	409.33	2.78	-40.42
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020276537	1	50	-1.0	-43.22	409.38	2.79	-40.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020276538	0	47	-1.0	-43.71	384.02	1.94	-41.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020276538	1	47	-1.0	-43.69	384.09	1.96	-41.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020276539	0	46	-1.0	-40.28	385.90	6.95	-33.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020276539	1	46	-1.0	-40.28	385.95	6.96	-33.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020276540	0	43	-1.0	-43.50	377.01	6.22	-37.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020276540	1	43	-1.0	-43.51	377.06	6.24	-37.27
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020276541	0	51	-1.0	-43.96	405.81	5.72	-38.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020276541	1	51	-1.0	-43.96	405.87	5.73	-38.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020276542	0	48	-1.0	-46.19	385.21	4.89	-41.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020276542	1	48	-1.0	-46.14	385.27	4.91	-41.23
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020276543	0	50	-1.0	-40.94	408.15	6.26	-34.68
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020276543	1	50	-1.0	-40.98	408.20	6.28	-34.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020276544	0	47	-1.0	-42.80	392.98	5.41	-37.39
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020276544	1	47	-1.0	-42.82	392.92	5.38	-37.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020276545	0	49	-1.0	-40.99	394.64	6.65	-34.34
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020276545	1	49	-1.0	-40.97	394.70	6.66	-34.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020276546	0	46	-1.0	-44.65	374.28	5.90	-38.75
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020276546	1	46	-1.0	-44.66	374.35	5.92	-38.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020276547	0	59	-1.0	-40.81	458.76	6.84	-33.97
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020276547	1	59	-1.0	-40.82	458.82	6.86	-33.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020276548	0	56	-1.0	-42.24	429.43	6.44	-35.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020276548	1	56	-1.0	-42.28	429.48	6.45	-35.83
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020276549	0	48	-1.0	-44.36	395.01	3.50	-40.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020276549	1	48	-1.0	-44.40	395.06	3.52	-40.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020276550	0	45	-1.0	-48.19	372.20	2.75	-45.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020276550	1	45	-1.0	-48.17	372.25	2.77	-45.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020276551	0	47	-1.0	-40.38	373.50	6.53	-33.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020276551	1	47	-1.0	-40.41	373.56	6.54	-33.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020276552	0	44	-1.0	-43.87	365.17	5.89	-37.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020276552	1	44	-1.0	-43.91	365.23	5.91	-38.00
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020276553	0	51	-1.0	-41.69	398.89	8.45	-33.24
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020276553	1	51	-1.0	-41.63	398.90	8.44	-33.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020276554	0	50	-1.0	-40.14	398.48	4.73	-35.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020276554	1	50	-1.0	-40.15	398.53	4.75	-35.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020276555	0	47	-1.0	-42.23	380.65	4.07	-38.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020276555	1	47	-1.0	-42.21	380.71	4.10	-38.11
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020276556	0	54	-1.0	-42.08	421.20	6.92	-35.16
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020276556	1	54	-1.0	-42.04	421.25	6.90	-35.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020276557	0	48	-1.0	-48.11	404.21	6.15	-41.96
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020276557	1	48	-1.0	-48.10	404.27	6.16	-41.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020276558	0	45	-1.0	-50.41	383.29	5.59	-44.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020276558	1	45	-1.0	-50.41	383.32	5.62	-44.79
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020276559	0	53	-1.0	-39.15	395.72	7.29	-31.86
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020276559	1	53	-1.0	-39.17	395.78	7.31	-31.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020276560	0	50	-1.0	-41.38	373.78	6.68	-34.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020276560	1	50	-1.0	-41.41	373.83	6.70	-34.71
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020276561	0	46	-1.0	-42.37	379.26	5.19	-37.18
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020276561	1	46	-1.0	-42.37	379.32	5.21	-37.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020276562	0	43	-1.0	-47.31	350.90	4.53	-42.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020276562	1	43	-1.0	-47.26	350.96	4.56	-42.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020276563	0	46	-1.0	-42.37	379.26	5.19	-37.18
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020276563	1	46	-1.0	-42.37	379.32	5.21	-37.16
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020276564	0	43	-1.0	-47.31	350.90	4.53	-42.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020276564	1	43	-1.0	-47.26	350.96	4.56	-42.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020276565	0	48	-1.0	-41.45	382.96	2.16	-39.29
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020276565	1	48	-1.0	-41.46	383.02	2.17	-39.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020276566	0	45	-1.0	-42.22	357.17	1.42	-40.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020276566	1	45	-1.0	-42.31	357.28	1.43	-40.88
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020276567	0	43	-1.0	-38.99	357.84	4.35	-34.64
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020276567	1	43	-1.0	-38.97	357.90	4.37	-34.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020276568	0	40	-1.0	-41.01	336.09	4.48	-36.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020276568	1	40	-1.0	-41.02	336.16	4.50	-36.52
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(F)(F)CC1C	REAL300020276569	0	47	-1.0	-40.66	386.54	7.50	-33.16
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(F)(F)CC1C	REAL300020276569	1	47	-1.0	-40.69	386.60	7.50	-33.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020276570	0	49	-1.0	-41.85	401.71	6.26	-35.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020276570	1	49	-1.0	-41.83	401.77	6.27	-35.56
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020276571	0	46	-1.0	-43.47	379.76	5.66	-37.81
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020276571	1	46	-1.0	-43.47	379.81	5.67	-37.80
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020276572	0	54	-1.0	-41.27	433.01	5.19	-36.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020276572	1	54	-1.0	-41.21	433.07	5.21	-36.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020276573	0	51	-1.0	-43.23	411.54	4.94	-38.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020276573	1	51	-1.0	-43.28	411.48	4.90	-38.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020276574	0	50	-1.0	-50.18	388.09	2.39	-47.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020276574	1	50	-1.0	-50.12	388.14	2.42	-47.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020276575	0	48	-1.0	-42.33	413.47	7.48	-34.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020276575	1	48	-1.0	-42.26	413.53	7.49	-34.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020276576	0	45	-1.0	-42.43	387.86	6.80	-35.63
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020276576	1	45	-1.0	-42.45	387.91	6.82	-35.63
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020276577	0	54	-1.0	-41.60	425.12	4.25	-37.35
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020276577	1	54	-1.0	-41.59	425.18	4.26	-37.33
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020276578	0	51	-1.0	-43.85	403.20	3.47	-40.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020276578	1	51	-1.0	-43.90	403.26	3.49	-40.41
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276579	0	52	-1.0	-40.36	403.53	6.22	-34.14
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276579	1	52	-1.0	-40.38	403.58	6.23	-34.15
CCCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276580	0	49	-1.0	-43.79	381.23	5.73	-38.06
CCCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276580	1	49	-1.0	-43.75	381.30	5.74	-38.01
CCCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020276581	0	56	-1.0	-41.16	435.94	8.41	-32.75
CCCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020276581	1	56	-1.0	-41.10	435.99	8.40	-32.70
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020276582	0	54	-1.0	-47.19	430.47	5.70	-41.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020276582	1	54	-1.0	-47.21	430.52	5.71	-41.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020276583	0	51	-1.0	-45.22	407.80	4.66	-40.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020276583	1	51	-1.0	-45.24	407.86	4.69	-40.55
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020276584	0	48	-1.0	-40.57	369.80	6.97	-33.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020276584	1	48	-1.0	-40.60	369.86	6.99	-33.61
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020276585	0	45	-1.0	-43.24	353.54	6.22	-37.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020276585	1	45	-1.0	-43.21	353.60	6.25	-36.96
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020276586	0	52	-1.0	-41.37	398.05	8.95	-32.42
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020276586	1	52	-1.0	-41.34	398.07	8.94	-32.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020276587	0	53	-1.0	-40.55	431.11	7.38	-33.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020276587	1	53	-1.0	-40.55	431.17	7.40	-33.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020276588	0	50	-1.0	-41.98	412.62	6.71	-35.27
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020276588	1	50	-1.0	-41.98	412.67	6.73	-35.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020276589	0	54	-1.0	-40.12	433.55	9.27	-30.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020276589	1	54	-1.0	-40.10	433.61	9.28	-30.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020276590	0	51	-1.0	-42.68	417.72	8.68	-34.00
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020276590	1	51	-1.0	-42.68	417.78	8.71	-33.97
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020276591	0	52	-1.0	-49.41	423.72	6.23	-43.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020276591	1	52	-1.0	-49.45	423.78	6.26	-43.19
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020276592	0	48	-1.0	-47.27	397.92	1.02	-46.25
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020276592	1	48	-1.0	-47.28	397.98	1.03	-46.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020276593	0	45	-1.0	-47.84	376.37	0.24	-47.60
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020276593	1	45	-1.0	-47.84	376.43	0.26	-47.58
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020276594	0	48	-1.0	-44.19	382.69	8.17	-36.02
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020276594	1	48	-1.0	-44.22	382.75	8.18	-36.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020276595	0	45	-1.0	-46.79	360.83	7.58	-39.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020276595	1	45	-1.0	-46.77	360.78	7.56	-39.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020276596	0	49	-1.0	-44.28	397.51	5.89	-38.39
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020276596	1	49	-1.0	-44.28	397.57	5.91	-38.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020276597	0	46	-1.0	-45.32	370.60	5.20	-40.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020276597	1	46	-1.0	-45.30	370.66	5.22	-40.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020276598	0	43	-1.0	-39.31	353.92	5.01	-34.30
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020276598	1	43	-1.0	-39.27	353.98	5.02	-34.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020276599	0	40	-1.0	-40.52	330.00	4.48	-36.04
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020276599	1	40	-1.0	-40.52	330.06	4.49	-36.03
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020276600	0	47	-1.0	-40.64	381.56	6.96	-33.68
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020276600	1	47	-1.0	-40.61	381.58	6.96	-33.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020276601	0	52	-1.0	-40.81	402.98	6.31	-34.50
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020276601	1	52	-1.0	-40.80	403.04	6.33	-34.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020276602	0	49	-1.0	-43.32	385.24	5.66	-37.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020276602	1	49	-1.0	-43.35	385.30	5.68	-37.67
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020276603	0	54	-1.0	-40.50	400.36	6.53	-33.97
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020276603	1	54	-1.0	-40.50	400.42	6.54	-33.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020276604	0	51	-1.0	-45.81	386.48	5.20	-40.61
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020276604	1	51	-1.0	-45.81	386.54	5.22	-40.59
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020276605	0	47	-1.0	-46.59	396.67	5.18	-41.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020276605	1	47	-1.0	-46.60	396.72	5.20	-41.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020276606	0	44	-1.0	-47.00	379.96	4.54	-42.46
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020276606	1	44	-1.0	-46.99	380.02	4.57	-42.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020276607	0	59	-1.0	-39.85	438.18	8.89	-30.96
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020276607	1	59	-1.0	-39.85	438.23	8.91	-30.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020276608	0	56	-1.0	-40.64	410.72	9.73	-30.91
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020276608	1	56	-1.0	-40.60	410.80	9.76	-30.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020276609	0	50	-1.0	-46.10	411.20	2.76	-43.34
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020276609	1	50	-1.0	-46.12	411.25	2.78	-43.34
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020276610	0	48	-1.0	-44.24	387.57	4.52	-39.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020276610	1	48	-1.0	-44.22	387.63	4.54	-39.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020276611	0	45	-1.0	-51.96	361.73	3.07	-48.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020276611	1	45	-1.0	-52.01	361.78	3.09	-48.92
C=C1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020276612	0	44	-1.0	-40.50	354.68	5.65	-34.85
C=C1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020276612	1	44	-1.0	-40.49	354.73	5.67	-34.82
C=C1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276613	0	41	-1.0	-43.60	334.33	4.91	-38.69
C=C1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276613	1	41	-1.0	-43.60	334.27	4.88	-38.72
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020276614	0	48	-1.0	-41.63	381.63	7.61	-34.02
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020276614	1	48	-1.0	-41.62	381.65	7.60	-34.02
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020276615	0	48	-1.0	-48.28	395.35	0.88	-47.40
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020276615	1	48	-1.0	-48.27	395.41	0.89	-47.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020276616	0	45	-1.0	-45.76	378.02	0.22	-45.54
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020276616	1	45	-1.0	-45.80	378.13	0.24	-45.56
CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020276617	0	47	-1.0	-41.85	385.63	4.24	-37.61
CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020276617	1	47	-1.0	-41.84	385.68	4.25	-37.59
CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276618	0	44	-1.0	-43.06	363.05	3.73	-39.33
CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276618	1	44	-1.0	-43.08	363.10	3.75	-39.33
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)C1	REAL300020276619	0	51	-1.0	-41.30	398.66	5.72	-35.58
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)C1	REAL300020276619	1	51	-1.0	-41.29	398.70	5.71	-35.58
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020276620	0	49	-1.0	-41.25	386.41	2.88	-38.37
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020276620	1	49	-1.0	-41.26	386.47	2.89	-38.37
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020276621	0	46	-1.0	-43.27	364.41	2.38	-40.89
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020276621	1	46	-1.0	-43.26	364.47	2.40	-40.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020276622	0	54	-1.0	-44.28	434.81	5.16	-39.12
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020276622	1	54	-1.0	-44.32	434.87	5.18	-39.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020276623	0	51	-1.0	-47.36	413.14	4.56	-42.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020276623	1	51	-1.0	-47.37	413.19	4.58	-42.79
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020276624	0	52	-1.0	-44.83	415.02	1.24	-43.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020276624	1	52	-1.0	-44.90	415.08	1.26	-43.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020276625	0	50	-1.0	-50.05	396.80	2.55	-47.50
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020276625	1	50	-1.0	-50.08	396.86	2.57	-47.51
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020276626	0	48	-1.0	-41.57	404.83	4.51	-37.06
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020276626	1	48	-1.0	-41.61	404.89	4.52	-37.09
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020276627	0	45	-1.0	-47.12	370.16	2.82	-44.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020276627	1	45	-1.0	-47.12	370.22	2.84	-44.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020276628	0	49	-1.0	-39.33	395.91	6.46	-32.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020276628	1	49	-1.0	-39.35	395.96	6.48	-32.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020276629	0	46	-1.0	-40.64	377.57	5.55	-35.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020276629	1	46	-1.0	-40.68	377.62	5.57	-35.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020276630	0	54	-1.0	-42.49	424.04	6.37	-36.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020276630	1	54	-1.0	-42.45	423.98	6.36	-36.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020276631	0	51	-1.0	-54.83	409.90	5.95	-48.88
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020276631	1	51	-1.0	-54.82	409.84	5.93	-48.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020276632	0	53	-1.0	-39.87	420.25	7.02	-32.85
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020276632	1	53	-1.0	-39.87	420.31	7.04	-32.83
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020276633	0	50	-1.0	-42.35	398.73	6.47	-35.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020276633	1	50	-1.0	-42.36	398.79	6.49	-35.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020276634	0	52	-1.0	-54.51	414.30	3.10	-51.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020276634	1	52	-1.0	-54.52	414.36	3.12	-51.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020276635	0	52	-1.0	-50.27	415.90	3.50	-46.77
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020276635	1	52	-1.0	-50.29	415.96	3.52	-46.77
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020276636	0	49	-1.0	-52.60	388.21	2.98	-49.62
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020276636	1	49	-1.0	-52.59	388.26	2.99	-49.60
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020276637	0	47	-1.0	-41.27	400.41	4.70	-36.57
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020276637	1	47	-1.0	-41.29	400.47	4.72	-36.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020276638	0	47	-1.0	-45.55	389.97	7.19	-38.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020276638	1	47	-1.0	-45.54	390.03	7.21	-38.33
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020276639	0	49	-1.0	-42.04	380.81	7.14	-34.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020276639	1	49	-1.0	-42.02	380.87	7.16	-34.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020276640	0	46	-1.0	-42.73	366.59	6.05	-36.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020276640	1	46	-1.0	-42.79	366.65	6.07	-36.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020276641	0	52	-1.0	-41.42	418.26	6.34	-35.08
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020276641	1	52	-1.0	-41.46	418.32	6.35	-35.11
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020276642	0	49	-1.0	-43.08	400.17	5.68	-37.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020276642	1	49	-1.0	-43.08	400.23	5.71	-37.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020276643	0	52	-1.0	-41.51	418.29	6.34	-35.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020276643	1	52	-1.0	-41.48	418.35	6.36	-35.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020276644	0	49	-1.0	-43.61	396.27	5.77	-37.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020276644	1	49	-1.0	-43.64	396.32	5.79	-37.85
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020276645	0	52	-1.0	-41.52	417.78	6.56	-34.96
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020276645	1	52	-1.0	-41.56	417.84	6.57	-34.99
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020276646	0	49	-1.0	-43.34	395.89	5.95	-37.39
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020276646	1	49	-1.0	-43.35	395.94	5.96	-37.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020276647	0	49	-1.0	-46.87	397.76	6.15	-40.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020276647	1	49	-1.0	-46.91	397.81	6.16	-40.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020276648	0	46	-1.0	-49.33	379.74	5.55	-43.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020276648	1	46	-1.0	-49.32	379.80	5.57	-43.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020276649	0	53	-1.0	-46.07	431.83	5.83	-40.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020276649	1	53	-1.0	-46.08	431.89	5.85	-40.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020276650	0	50	-1.0	-47.90	419.74	4.98	-42.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020276650	1	50	-1.0	-47.90	419.79	5.01	-42.89
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020276651	0	50	-1.0	-40.67	394.73	4.04	-36.63
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020276651	1	50	-1.0	-40.70	394.79	4.05	-36.65
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020276652	0	47	-1.0	-42.85	367.14	4.21	-38.64
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020276652	1	47	-1.0	-42.81	367.20	4.23	-38.58
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CCCO1	REAL300020276653	0	54	-1.0	-41.06	406.72	7.10	-33.96
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CCCO1	REAL300020276653	1	54	-1.0	-41.02	406.81	7.08	-33.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020276654	0	50	-1.0	-47.98	418.13	5.80	-42.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020276654	1	50	-1.0	-47.97	418.19	5.83	-42.14
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020276655	0	56	-1.0	-41.89	419.19	3.21	-38.68
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020276655	1	56	-1.0	-41.89	419.25	3.22	-38.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020276655	1	57	0.0	-58.62	414.23	5.80	-52.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020276656	0	55	-1.0	-42.51	442.03	6.08	-36.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020276656	1	56	0.0	-66.63	440.59	8.54	-58.09
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020276656	1	55	-1.0	-42.50	442.09	6.11	-36.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020276657	0	56	-1.0	-39.67	429.30	8.84	-30.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020276657	1	56	-1.0	-39.70	429.36	8.86	-30.84
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020276658	0	53	-1.0	-42.27	407.85	8.09	-34.18
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020276658	1	53	-1.0	-42.21	407.80	8.08	-34.13
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C	REAL300020276659	0	43	-1.0	-40.16	344.92	4.12	-36.04
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C	REAL300020276659	1	43	-1.0	-40.15	344.98	4.13	-36.02
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020276660	0	47	-1.0	-41.87	370.04	6.91	-34.96
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020276660	1	47	-1.0	-41.81	370.05	6.91	-34.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020276661	0	47	-1.0	-39.53	382.14	4.09	-35.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020276661	1	47	-1.0	-39.54	382.20	4.11	-35.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020276662	0	44	-1.0	-41.30	359.20	3.61	-37.69
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020276662	1	44	-1.0	-41.29	359.25	3.63	-37.66
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020276663	0	51	-1.0	-39.99	395.29	6.44	-33.55
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020276663	1	51	-1.0	-39.97	395.34	6.45	-33.52
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020276664	0	48	-1.0	-42.21	370.26	5.88	-36.33
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020276664	1	48	-1.0	-42.22	370.31	5.89	-36.33
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276665	0	47	-1.0	-50.23	375.24	1.41	-48.82
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276665	1	47	-1.0	-50.28	375.29	1.42	-48.86
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276666	0	44	-1.0	-53.29	353.50	1.39	-51.90
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276666	1	44	-1.0	-53.28	353.44	1.36	-51.92
CNC(=O)[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020276667	0	51	-1.0	-49.46	412.87	5.05	-44.41
CNC(=O)[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020276667	1	51	-1.0	-49.45	412.88	5.04	-44.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020276668	0	49	-1.0	-49.32	415.35	5.07	-44.25
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020276668	1	49	-1.0	-49.32	415.30	5.04	-44.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020276669	0	45	-1.0	-45.62	366.94	0.31	-45.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020276669	1	45	-1.0	-45.62	367.00	0.33	-45.29
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020276670	0	42	-1.0	-46.46	345.45	-0.47	-46.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020276670	1	42	-1.0	-46.47	345.51	-0.45	-46.92
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020276671	0	47	-1.0	-40.08	380.79	6.70	-33.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020276671	1	47	-1.0	-40.09	380.84	6.71	-33.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020276672	0	44	-1.0	-41.94	359.34	6.11	-35.83
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020276672	1	44	-1.0	-41.98	359.40	6.12	-35.86
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020276673	0	58	0.0	-65.29	429.68	7.21	-58.08
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020276673	1	58	0.0	-64.92	434.00	7.19	-57.73
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020276673	1	58	0.0	-65.31	429.73	7.22	-58.09
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020276673	1	58	0.0	-64.96	434.05	7.20	-57.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020276674	0	55	0.0	-65.18	407.78	6.64	-58.54
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020276674	1	55	0.0	-64.44	412.49	6.41	-58.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020276674	1	55	0.0	-65.13	407.83	6.65	-58.48
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020276674	1	55	0.0	-64.47	412.55	6.44	-58.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020276675	0	50	-1.0	-43.80	406.22	9.66	-34.14
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020276675	1	50	-1.0	-43.80	406.27	9.68	-34.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020276676	0	47	-1.0	-48.12	378.12	9.00	-39.12
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020276676	1	47	-1.0	-48.12	378.06	8.98	-39.14
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020276677	0	49	-1.0	-41.09	393.46	5.49	-35.60
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020276677	1	49	-1.0	-41.09	393.52	5.51	-35.58
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020276678	0	46	-1.0	-43.41	371.75	4.92	-38.49
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020276678	1	46	-1.0	-43.41	371.69	4.89	-38.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020276679	0	55	-1.0	-38.62	396.13	6.68	-31.94
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020276679	1	55	-1.0	-38.64	396.19	6.69	-31.95
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020276680	0	52	-1.0	-41.93	385.04	7.52	-34.41
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020276680	1	52	-1.0	-41.95	385.09	7.55	-34.40
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020276681	0	47	-1.0	-40.06	367.43	5.95	-34.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020276681	1	47	-1.0	-40.08	367.49	5.96	-34.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020276682	0	44	-1.0	-44.90	342.29	4.98	-39.92
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020276682	1	44	-1.0	-44.93	342.24	4.95	-39.98
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020276683	0	51	-1.0	-41.90	394.81	8.04	-33.86
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020276683	1	51	-1.0	-41.88	394.81	8.03	-33.85
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020276684	0	50	-1.0	-45.26	399.38	4.01	-41.25
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020276684	1	50	-1.0	-45.26	399.44	4.02	-41.24
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020276685	0	47	-1.0	-45.07	344.62	-1.21	-46.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020276685	1	47	-1.0	-45.08	344.68	-1.18	-46.26
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020276686	0	44	-1.0	-39.15	359.90	4.57	-34.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020276686	1	44	-1.0	-39.13	359.95	4.58	-34.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020276687	0	41	-1.0	-41.19	341.80	3.71	-37.48
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020276687	1	41	-1.0	-41.25	341.87	3.74	-37.51
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC[C@@H]1C	REAL300020276688	0	48	-1.0	-40.42	391.21	6.44	-33.98
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC[C@@H]1C	REAL300020276688	1	48	-1.0	-40.35	391.26	6.43	-33.92
C#CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276689	0	41	-1.0	-41.69	345.99	5.29	-36.40
C#CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276689	1	41	-1.0	-41.72	346.05	5.31	-36.41
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020276690	0	45	-1.0	-41.87	381.64	7.20	-34.67
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020276690	1	45	-1.0	-41.84	381.69	7.19	-34.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020276691	0	44	-1.0	-45.33	344.58	4.22	-41.11
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020276691	1	44	-1.0	-45.38	344.64	4.23	-41.15
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020276692	0	41	-1.0	-47.19	326.92	3.79	-43.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020276692	1	41	-1.0	-47.21	326.99	3.80	-43.41
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020276693	0	53	-1.0	-39.39	406.98	7.68	-31.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020276693	1	53	-1.0	-39.44	407.04	7.70	-31.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020276694	0	50	-1.0	-41.02	385.52	6.90	-34.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020276694	1	50	-1.0	-41.02	385.57	6.92	-34.10
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020276695	0	49	-1.0	-43.12	395.21	6.41	-36.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020276695	1	49	-1.0	-43.07	395.26	6.43	-36.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020276696	0	46	-1.0	-45.05	377.42	5.75	-39.30
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020276696	1	46	-1.0	-45.07	377.48	5.78	-39.29
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020276697	0	52	-1.0	-41.18	417.01	7.38	-33.80
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020276697	1	52	-1.0	-41.21	417.07	7.40	-33.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020276698	0	49	-1.0	-43.96	395.50	6.60	-37.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020276698	1	49	-1.0	-43.94	395.56	6.62	-37.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020276699	0	49	-1.0	-43.40	407.04	6.84	-36.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020276699	1	49	-1.0	-43.41	407.10	6.87	-36.54
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020276700	0	49	-1.0	-39.76	396.91	6.89	-32.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020276700	1	49	-1.0	-39.77	396.97	6.91	-32.86
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020276701	0	46	-1.0	-43.80	376.09	6.14	-37.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020276701	1	46	-1.0	-43.80	376.16	6.16	-37.64
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020276702	0	57	-1.0	-39.52	436.23	6.71	-32.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020276702	1	57	-1.0	-39.51	436.28	6.73	-32.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020276703	0	54	-1.0	-41.83	418.46	6.03	-35.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020276703	1	54	-1.0	-41.81	418.52	6.06	-35.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020276704	0	47	-1.0	-45.38	381.98	1.99	-43.39
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020276704	1	47	-1.0	-45.38	382.04	2.00	-43.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020276705	0	44	-1.0	-49.07	360.94	1.21	-47.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020276705	1	44	-1.0	-49.09	360.99	1.23	-47.86
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020276706	0	51	-1.0	-47.40	401.84	3.94	-43.46
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020276706	1	51	-1.0	-47.48	401.86	3.93	-43.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020276707	0	49	-1.0	-48.29	400.86	2.21	-46.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020276707	1	49	-1.0	-48.29	400.91	2.23	-46.06
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020276708	0	49	-1.0	-41.10	382.64	6.93	-34.17
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020276708	1	49	-1.0	-41.14	382.70	6.95	-34.19
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020276709	0	46	-1.0	-41.18	360.47	6.40	-34.78
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020276709	1	46	-1.0	-41.16	360.53	6.42	-34.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020276710	0	47	-1.0	-44.21	381.51	2.63	-41.58
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020276710	1	47	-1.0	-44.24	381.57	2.65	-41.59
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020276711	0	44	-1.0	-46.29	364.34	1.76	-44.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020276711	1	44	-1.0	-46.25	364.40	1.79	-44.46
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020276712	0	50	-1.0	-44.24	410.18	6.46	-37.78
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020276712	1	50	-1.0	-44.20	410.24	6.47	-37.73
CCOC(=O)C1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276713	0	47	-1.0	-47.20	384.84	5.18	-42.02
CCOC(=O)C1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276713	1	47	-1.0	-47.17	384.89	5.20	-41.97
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020276714	0	50	-1.0	-42.06	406.56	7.74	-34.32
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020276714	1	50	-1.0	-41.98	406.61	7.76	-34.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020276715	0	47	-1.0	-43.71	382.60	7.20	-36.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020276715	1	47	-1.0	-43.75	382.65	7.23	-36.52
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020276716	0	47	-1.0	-41.03	378.02	4.29	-36.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020276716	1	47	-1.0	-41.08	378.07	4.30	-36.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020276717	0	44	-1.0	-43.90	356.33	3.68	-40.22
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020276717	1	44	-1.0	-43.93	356.38	3.70	-40.23
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020276718	0	51	-1.0	-42.04	406.12	6.29	-35.75
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020276718	1	51	-1.0	-42.02	406.17	6.27	-35.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020276719	0	47	-1.0	-45.62	387.01	4.79	-40.83
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020276719	1	47	-1.0	-45.62	387.06	4.81	-40.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020276720	0	44	-1.0	-42.71	374.19	4.89	-37.82
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020276720	1	44	-1.0	-42.68	374.25	4.91	-37.77
CC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020276721	0	47	-1.0	-39.55	362.66	3.76	-35.79
CC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020276721	1	47	-1.0	-39.57	362.71	3.77	-35.80
CC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)CCO1	REAL300020276722	0	44	-1.0	-41.70	356.32	3.86	-37.84
CC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)CCO1	REAL300020276722	1	44	-1.0	-41.68	356.38	3.86	-37.82
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)CCO1	REAL300020276723	0	51	-1.0	-41.05	394.91	5.84	-35.21
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)CCO1	REAL300020276723	1	51	-1.0	-40.98	394.85	5.83	-35.15
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC)C1	REAL300020276724	0	47	-1.0	-41.37	377.18	4.39	-36.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC)C1	REAL300020276724	1	47	-1.0	-41.37	377.23	4.41	-36.96
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC)C1	REAL300020276725	0	44	-1.0	-43.15	351.85	3.54	-39.61
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC)C1	REAL300020276725	1	44	-1.0	-43.17	351.90	3.55	-39.62
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](OC)C1	REAL300020276726	0	51	-1.0	-42.28	406.08	6.38	-35.90
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](OC)C1	REAL300020276726	1	51	-1.0	-42.34	406.11	6.37	-35.97
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020276727	0	48	-1.0	-40.88	375.50	2.16	-38.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020276727	1	48	-1.0	-40.86	375.55	2.18	-38.68
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020276728	0	45	-1.0	-42.79	359.00	1.55	-41.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020276728	1	45	-1.0	-42.78	359.06	1.57	-41.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020276729	0	49	-1.0	-45.42	392.40	6.36	-39.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020276729	1	49	-1.0	-45.42	392.46	6.38	-39.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](COC)C1	REAL300020276730	0	48	-1.0	-41.05	380.54	2.33	-38.72
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](COC)C1	REAL300020276730	1	48	-1.0	-41.04	380.60	2.34	-38.70
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](COC)C1	REAL300020276731	0	45	-1.0	-42.27	373.28	2.21	-40.06
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](COC)C1	REAL300020276731	1	45	-1.0	-42.24	373.34	2.24	-40.00
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020276732	0	49	-1.0	-41.10	392.32	5.26	-35.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020276732	1	49	-1.0	-41.11	392.37	5.27	-35.84
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020276733	0	46	-1.0	-43.42	375.13	4.39	-39.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020276733	1	46	-1.0	-43.45	375.18	4.41	-39.04
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CC1(C)C	REAL300020276734	0	44	-1.0	-40.16	351.10	4.63	-35.53
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CC1(C)C	REAL300020276734	1	44	-1.0	-40.16	351.16	4.64	-35.52
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CC1(C)C	REAL300020276735	0	41	-1.0	-41.87	334.04	3.60	-38.27
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CC1(C)C	REAL300020276735	1	41	-1.0	-41.87	333.98	3.58	-38.29
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020276736	0	48	-1.0	-40.90	382.27	6.65	-34.25
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020276736	1	48	-1.0	-40.89	382.31	6.64	-34.25
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020276737	0	49	-1.0	-44.83	397.55	1.96	-42.87
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020276737	1	49	-1.0	-44.87	397.61	1.97	-42.90
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020276738	0	46	-1.0	-49.21	365.71	1.26	-47.95
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020276738	1	46	-1.0	-49.21	365.77	1.27	-47.94
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020276739	0	52	-1.0	-49.06	415.47	1.32	-47.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020276739	1	52	-1.0	-49.08	415.52	1.35	-47.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020276740	0	57	-1.0	-41.49	423.44	5.16	-36.33
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020276740	1	57	-1.0	-41.49	423.50	5.17	-36.32
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020276741	0	54	-1.0	-44.14	405.99	4.74	-39.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020276741	1	54	-1.0	-44.15	406.04	4.76	-39.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020276742	0	46	-1.0	-49.11	380.51	1.37	-47.74
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020276742	1	46	-1.0	-49.12	380.56	1.38	-47.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020276743	0	43	-1.0	-51.08	355.02	0.66	-50.42
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020276743	1	43	-1.0	-51.09	355.08	0.68	-50.41
CCOC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCOC)C1	REAL300020276744	0	55	-1.0	-41.40	443.03	7.59	-33.81
CCOC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCOC)C1	REAL300020276744	1	55	-1.0	-41.38	443.08	7.60	-33.78
CCOC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCOC)C1	REAL300020276745	0	52	-1.0	-42.95	422.03	6.60	-36.35
CCOC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCOC)C1	REAL300020276745	1	52	-1.0	-43.02	422.09	6.63	-36.39
CCOC(=O)C1CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCOC)CC2	REAL300020276746	0	53	-1.0	-46.30	430.14	7.59	-38.71
CCOC(=O)C1CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCOC)CC2	REAL300020276746	1	53	-1.0	-46.29	430.19	7.61	-38.68
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C	REAL300020276747	0	43	-1.0	-40.82	340.25	4.98	-35.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C	REAL300020276747	1	43	-1.0	-40.83	340.31	5.00	-35.83
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020276748	0	47	-1.0	-41.79	376.05	7.29	-34.50
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020276748	1	47	-1.0	-41.72	376.09	7.28	-34.44
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020276749	0	55	-1.0	-44.25	429.74	7.03	-37.22
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020276749	1	55	-1.0	-44.27	429.80	7.04	-37.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020276750	0	52	-1.0	-43.42	411.13	6.44	-36.98
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020276750	1	52	-1.0	-43.41	411.18	6.46	-36.95
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020276751	0	53	-1.0	-43.38	429.73	5.70	-37.68
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020276751	1	53	-1.0	-43.28	429.79	5.71	-37.57
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020276752	0	50	-1.0	-45.18	411.98	5.03	-40.15
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020276752	1	50	-1.0	-45.17	412.04	5.06	-40.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C	REAL300020276753	0	43	-1.0	-40.82	340.25	4.98	-35.84
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C	REAL300020276753	1	43	-1.0	-40.83	340.31	5.00	-35.83
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020276754	0	47	-1.0	-41.79	376.05	7.29	-34.50
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020276754	1	47	-1.0	-41.72	376.09	7.28	-34.44
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276755	0	49	-1.0	-46.34	402.72	6.34	-40.00
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276755	1	49	-1.0	-46.32	402.77	6.36	-39.96
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020276756	0	50	-1.0	-40.76	389.48	6.52	-34.24
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020276756	1	50	-1.0	-40.76	389.54	6.53	-34.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020276757	0	47	-1.0	-39.80	373.90	6.31	-33.49
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020276757	1	47	-1.0	-39.78	373.98	6.33	-33.45
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020276758	0	52	-1.0	-46.06	425.97	4.70	-41.36
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020276758	1	52	-1.0	-46.00	426.03	4.72	-41.28
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020276759	0	49	-1.0	-49.95	405.02	4.15	-45.80
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020276759	1	49	-1.0	-49.96	405.08	4.18	-45.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020276760	0	53	-1.0	-44.82	402.05	8.23	-36.59
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020276760	1	53	-1.0	-44.79	402.11	8.24	-36.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020276761	0	50	-1.0	-46.62	386.05	7.60	-39.02
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020276761	1	50	-1.0	-46.61	386.11	7.62	-38.99
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020276762	0	59	-1.0	-40.47	459.76	7.03	-33.44
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020276762	1	59	-1.0	-40.47	459.82	7.04	-33.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020276763	0	56	-1.0	-43.36	438.24	6.24	-37.12
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020276763	1	56	-1.0	-43.37	438.30	6.26	-37.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020276764	0	59	-1.0	-39.08	456.02	6.90	-32.18
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020276764	1	59	-1.0	-39.08	456.07	6.91	-32.17
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020276765	0	56	-1.0	-41.63	438.23	6.23	-35.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020276765	1	56	-1.0	-41.63	438.29	6.26	-35.37
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020276766	0	52	-1.0	-46.66	425.63	4.68	-41.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020276766	1	52	-1.0	-46.62	425.68	4.69	-41.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020276767	0	49	-1.0	-49.22	404.12	4.12	-45.10
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020276767	1	49	-1.0	-49.26	404.17	4.15	-45.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020276768	0	51	-1.0	-45.02	394.78	4.79	-40.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020276768	1	51	-1.0	-45.02	394.84	4.80	-40.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020276769	0	48	-1.0	-42.75	379.58	4.30	-38.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020276769	1	48	-1.0	-42.78	379.64	4.33	-38.45
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020276770	0	49	-1.0	-42.21	391.72	5.31	-36.90
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020276770	1	49	-1.0	-42.23	391.78	5.32	-36.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020276771	0	46	-1.0	-45.20	373.95	4.65	-40.55
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020276771	1	46	-1.0	-45.19	374.01	4.68	-40.51
CCN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276772	0	53	-1.0	-40.72	419.75	5.27	-35.45
CCN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276772	1	53	-1.0	-40.76	419.81	5.28	-35.48
CCN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276773	0	50	-1.0	-42.99	398.25	4.48	-38.51
CCN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276773	1	50	-1.0	-42.98	398.31	4.51	-38.47
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020276774	0	52	-1.0	-53.18	408.88	2.44	-50.74
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020276774	1	52	-1.0	-53.21	408.94	2.47	-50.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020276775	0	48	-1.0	-42.59	414.06	5.40	-37.19
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020276775	1	48	-1.0	-42.62	414.12	5.41	-37.21
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020276776	0	45	-1.0	-44.48	392.50	4.62	-39.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020276776	1	45	-1.0	-44.48	392.55	4.65	-39.83
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020276777	0	51	-1.0	-47.11	401.02	2.42	-44.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020276777	1	51	-1.0	-47.14	401.08	2.43	-44.71
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020276778	0	48	-1.0	-49.06	382.69	0.74	-48.32
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020276778	1	48	-1.0	-49.03	382.75	0.75	-48.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020276779	0	53	-1.0	-46.00	418.45	6.61	-39.39
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020276779	1	53	-1.0	-46.03	418.51	6.62	-39.41
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020276780	0	50	-1.0	-48.41	396.93	5.82	-42.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020276780	1	50	-1.0	-48.40	396.99	5.85	-42.55
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020276781	0	53	-1.0	-41.80	422.90	6.36	-35.44
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020276781	1	53	-1.0	-41.85	422.95	6.39	-35.46
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020276782	0	51	-1.0	-42.55	389.44	5.06	-37.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020276782	1	51	-1.0	-42.51	389.50	5.08	-37.43
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020276783	0	48	-1.0	-45.45	367.94	4.28	-41.17
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020276783	1	48	-1.0	-45.42	368.00	4.30	-41.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020276784	0	43	-1.0	-38.90	370.19	5.33	-33.57
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020276784	1	43	-1.0	-38.92	370.25	5.34	-33.58
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020276785	0	40	-1.0	-40.16	347.40	4.71	-35.45
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020276785	1	40	-1.0	-40.17	347.45	4.74	-35.43
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020276786	0	51	-1.0	-46.47	398.02	4.04	-42.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020276786	1	51	-1.0	-46.43	398.08	4.05	-42.38
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020276787	0	48	-1.0	-46.77	375.90	3.49	-43.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020276787	1	48	-1.0	-46.72	375.96	3.51	-43.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020276788	0	52	-1.0	-45.26	407.77	2.47	-42.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020276788	1	52	-1.0	-45.28	407.82	2.48	-42.80
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020276789	0	49	-1.0	-48.12	384.86	1.75	-46.37
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020276789	1	49	-1.0	-48.58	383.84	1.74	-46.84
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020276790	0	55	-1.0	-39.84	414.56	6.03	-33.81
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020276790	1	55	-1.0	-39.80	414.62	6.05	-33.75
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020276791	0	52	-1.0	-43.94	395.23	5.28	-38.66
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020276791	1	52	-1.0	-43.94	395.29	5.30	-38.64
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020276792	0	56	-1.0	-42.39	419.01	9.04	-33.35
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020276792	1	56	-1.0	-42.37	419.06	9.06	-33.31
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020276793	0	57	-1.0	-40.27	417.63	4.12	-36.15
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020276793	1	57	-1.0	-40.23	417.69	4.13	-36.10
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020276794	0	54	-1.0	-42.95	398.46	3.18	-39.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020276794	1	54	-1.0	-42.92	398.51	3.19	-39.73
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020276795	0	54	-1.0	-40.36	408.39	4.15	-36.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020276795	1	54	-1.0	-40.40	408.47	4.17	-36.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020276796	0	51	-1.0	-41.92	390.13	3.52	-38.40
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020276796	1	51	-1.0	-41.91	390.16	3.53	-38.38
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCOC)=N1	REAL300020276797	0	46	-1.0	-43.56	386.19	7.94	-35.62
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCOC)=N1	REAL300020276797	1	46	-1.0	-43.59	386.14	7.93	-35.66
CCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCOC)=N1	REAL300020276798	0	43	-1.0	-45.84	364.72	7.17	-38.67
CCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCOC)=N1	REAL300020276798	1	43	-1.0	-45.80	364.66	7.13	-38.67
CCCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCOC)=N1	REAL300020276799	0	50	-1.0	-44.62	414.60	9.88	-34.74
CCCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCOC)=N1	REAL300020276799	1	50	-1.0	-44.65	414.56	9.90	-34.75
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020276800	0	51	-1.0	-43.57	411.08	5.36	-38.21
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020276800	1	51	-1.0	-43.57	411.14	5.37	-38.20
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020276801	0	48	-1.0	-47.37	388.79	4.94	-42.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020276801	1	48	-1.0	-47.40	388.85	4.97	-42.43
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020276802	0	45	-1.0	-41.79	345.15	5.90	-35.89
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020276802	1	45	-1.0	-41.78	345.21	5.91	-35.87
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020276803	0	42	-1.0	-44.37	330.31	5.13	-39.24
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020276803	1	42	-1.0	-44.37	330.36	5.14	-39.23
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020276804	0	49	-1.0	-42.62	380.38	7.57	-35.05
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020276804	1	49	-1.0	-42.57	380.41	7.56	-35.01
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020276805	0	51	-1.0	-42.04	380.26	7.35	-34.69
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020276805	1	51	-1.0	-42.09	380.32	7.37	-34.72
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020276806	0	48	-1.0	-42.61	384.88	8.39	-34.22
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020276806	1	48	-1.0	-42.57	384.83	8.36	-34.21
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020276807	0	49	-1.0	-39.87	391.52	4.93	-34.94
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020276807	1	49	-1.0	-39.87	391.57	4.94	-34.93
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020276808	0	46	-1.0	-41.75	364.65	4.28	-37.47
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020276808	1	46	-1.0	-41.80	364.71	4.31	-37.49
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020276809	0	48	-1.0	-40.12	368.58	2.35	-37.77
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020276809	1	48	-1.0	-40.17	368.63	2.36	-37.81
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020276810	0	45	-1.0	-42.26	347.07	1.56	-40.70
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020276810	1	45	-1.0	-42.24	347.13	1.59	-40.65
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020276811	0	57	-1.0	-40.15	419.56	6.74	-33.41
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020276811	1	57	-1.0	-40.15	419.62	6.75	-33.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020276812	0	54	-1.0	-44.01	392.85	5.98	-38.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020276812	1	54	-1.0	-44.02	392.91	6.01	-38.01
CCCOC(=O)NCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276813	0	56	-1.0	-45.73	455.20	4.25	-41.48
CCCOC(=O)NCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276813	1	56	-1.0	-45.71	455.26	4.27	-41.44
CCCOC(=O)NCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276814	0	53	-1.0	-46.52	440.99	3.36	-43.16
CCCOC(=O)NCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276814	1	53	-1.0	-46.50	441.05	3.39	-43.11
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020276815	0	48	-1.0	-39.06	384.49	6.80	-32.26
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020276815	1	48	-1.0	-39.09	384.55	6.81	-32.28
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020276816	0	45	-1.0	-42.14	366.77	6.12	-36.02
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020276816	1	45	-1.0	-42.13	366.72	6.10	-36.03
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020276817	0	52	-1.0	-40.97	414.69	9.22	-31.75
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020276817	1	52	-1.0	-40.98	414.72	9.20	-31.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020276818	0	50	-1.0	-40.65	406.64	8.01	-32.64
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020276818	1	50	-1.0	-40.68	406.69	8.02	-32.66
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020276819	0	47	-1.0	-43.29	393.05	7.50	-35.79
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020276819	1	47	-1.0	-43.31	393.12	7.53	-35.78
COCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020276820	0	52	-1.0	-44.30	424.89	6.37	-37.93
COCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020276820	1	52	-1.0	-44.30	424.95	6.40	-37.90
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020276821	0	50	-1.0	-41.26	387.36	6.75	-34.51
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020276821	1	50	-1.0	-41.29	387.42	6.76	-34.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020276822	0	47	-1.0	-43.57	367.99	6.01	-37.56
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020276822	1	47	-1.0	-43.54	368.05	6.03	-37.51
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020276823	0	54	-1.0	-41.74	418.26	8.80	-32.94
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020276823	1	54	-1.0	-41.73	418.30	8.79	-32.94
CCC(O)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276824	0	49	-1.0	-40.77	383.27	2.49	-38.28
CCC(O)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276824	1	49	-1.0	-40.75	383.33	2.50	-38.25
CCC(O)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276825	0	46	-1.0	-43.36	364.22	1.83	-41.53
CCC(O)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276825	1	46	-1.0	-43.39	364.28	1.86	-41.53
CCC(O)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020276826	0	53	-1.0	-41.23	416.15	4.76	-36.47
CCC(O)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020276826	1	53	-1.0	-41.23	416.18	4.75	-36.48
CCN(CCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CCOC	REAL300020276827	0	49	-1.0	-43.12	389.66	2.03	-41.09
CCN(CCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CCOC	REAL300020276827	1	49	-1.0	-43.08	389.72	2.04	-41.04
CCN(CCCCO)C1=NN=C(CC2=N[N-]N=N2)N1CCOC	REAL300020276828	0	46	-1.0	-46.28	368.24	1.24	-45.04
CCN(CCCCO)C1=NN=C(CC2=NN=N[N-]2)N1CCOC	REAL300020276828	1	46	-1.0	-46.28	368.29	1.25	-45.03
CCN(CCCCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCOC	REAL300020276829	0	53	-1.0	-44.02	417.09	4.04	-39.98
CCN(CCCCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCOC	REAL300020276829	1	53	-1.0	-44.01	417.14	4.03	-39.98
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020276830	0	51	-1.0	-46.19	414.24	8.84	-37.35
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020276830	1	51	-1.0	-46.19	414.19	8.83	-37.36
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020276831	0	48	-1.0	-48.03	397.20	8.29	-39.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020276831	1	48	-1.0	-48.04	397.14	8.27	-39.77
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020276832	0	45	-1.0	-42.60	372.23	4.08	-38.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020276832	1	45	-1.0	-42.60	372.28	4.09	-38.51
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020276833	0	42	-1.0	-46.19	355.03	3.45	-42.74
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020276833	1	42	-1.0	-46.22	354.97	3.43	-42.79
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020276834	0	49	-1.0	-43.99	398.52	6.14	-37.85
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020276834	1	49	-1.0	-43.91	398.56	6.13	-37.78
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020276835	0	51	-1.0	-47.43	410.74	5.51	-41.92
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020276835	1	51	-1.0	-47.44	410.80	5.53	-41.91
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020276836	0	48	-1.0	-50.84	391.89	4.81	-46.03
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020276836	1	48	-1.0	-50.87	391.94	4.84	-46.03
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020276837	0	50	-1.0	-44.60	409.53	7.08	-37.52
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020276837	1	50	-1.0	-44.63	409.59	7.10	-37.53
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020276838	0	47	-1.0	-44.44	383.53	6.06	-38.38
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020276838	1	47	-1.0	-44.43	383.58	6.08	-38.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020276839	0	52	-1.0	-53.03	405.97	-0.13	-53.16
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020276839	1	52	-1.0	-53.01	406.03	-0.11	-53.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020276840	0	52	-1.0	-45.34	422.67	6.56	-38.78
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020276840	1	52	-1.0	-45.37	422.73	6.58	-38.79
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020276841	0	49	-1.0	-47.96	404.33	5.88	-42.08
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020276841	1	49	-1.0	-47.97	404.38	5.91	-42.06
CCN(CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCOC)C1=CC=CC=C1	REAL300020276842	0	57	-1.0	-41.71	455.60	8.60	-33.11
CCN(CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCOC)C1=CC=CC=C1	REAL300020276842	1	57	-1.0	-41.74	455.65	8.62	-33.12
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020276843	0	50	-1.0	-41.09	404.73	7.38	-33.71
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020276843	1	50	-1.0	-41.07	404.79	7.40	-33.67
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020276844	0	47	-1.0	-43.81	380.49	6.46	-37.35
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020276844	1	47	-1.0	-43.86	380.43	6.44	-37.42
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020276845	0	44	-1.0	-44.43	373.23	0.64	-43.79
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020276845	1	44	-1.0	-44.42	373.29	0.66	-43.76
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020276846	0	41	-1.0	-46.75	356.62	-0.54	-47.29
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020276846	1	41	-1.0	-46.76	356.68	-0.52	-47.28
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020276847	0	49	-1.0	-41.86	394.56	2.48	-39.38
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020276847	1	49	-1.0	-41.89	394.62	2.49	-39.40
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020276848	0	46	-1.0	-41.71	376.82	1.79	-39.92
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020276848	1	46	-1.0	-41.73	376.88	1.82	-39.91
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020276849	0	44	-1.0	-39.56	361.45	6.20	-33.36
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020276849	1	44	-1.0	-39.53	361.51	6.22	-33.31
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020276850	0	41	-1.0	-40.85	339.95	5.42	-35.43
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020276850	1	41	-1.0	-40.86	340.01	5.44	-35.42
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020276851	0	48	-1.0	-41.71	384.78	8.34	-33.37
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020276851	1	48	-1.0	-41.72	384.81	8.33	-33.39
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020276852	0	42	-1.0	-43.92	334.98	2.38	-41.54
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020276852	1	42	-1.0	-43.93	335.04	2.40	-41.53
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020276853	0	39	-1.0	-45.49	308.05	1.76	-43.73
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020276853	1	39	-1.0	-45.46	308.00	1.74	-43.72
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020276854	0	46	-1.0	-44.96	364.42	4.23	-40.73
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020276854	1	46	-1.0	-44.91	364.46	4.22	-40.69
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020276855	0	50	-1.0	-48.22	402.36	1.31	-46.91
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020276855	1	50	-1.0	-48.22	402.41	1.33	-46.89
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020276856	0	47	-1.0	-50.30	380.87	0.53	-49.77
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020276856	1	47	-1.0	-50.27	380.92	0.55	-49.72
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020276857	0	49	-1.0	-41.23	404.98	6.00	-35.23
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020276857	1	49	-1.0	-41.24	405.04	6.01	-35.23
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020276858	0	46	-1.0	-43.14	387.47	5.28	-37.86
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020276858	1	46	-1.0	-43.13	387.53	5.31	-37.82
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020276859	0	53	-1.0	-48.88	435.31	5.92	-42.96
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020276859	1	53	-1.0	-48.92	435.37	5.95	-42.97
COCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020276860	0	49	-1.0	-43.60	406.01	8.72	-34.88
COCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020276860	1	49	-1.0	-43.60	405.96	8.70	-34.90
COCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020276861	0	46	-1.0	-45.44	380.08	7.98	-37.46
COCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020276861	1	46	-1.0	-45.45	380.02	7.94	-37.51
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020276862	0	50	-1.0	-48.85	401.39	3.36	-45.49
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020276862	1	50	-1.0	-48.88	401.45	3.37	-45.51
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020276863	0	47	-1.0	-51.49	383.09	2.76	-48.73
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020276863	1	47	-1.0	-51.52	383.14	2.78	-48.74
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020276864	0	46	-1.0	-41.29	358.26	2.73	-38.56
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020276864	1	46	-1.0	-41.25	358.32	2.75	-38.50
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020276865	0	43	-1.0	-41.98	343.30	2.10	-39.88
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020276865	1	43	-1.0	-41.99	343.36	2.13	-39.86
COCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020276866	0	50	-1.0	-42.23	395.05	5.06	-37.17
COCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020276866	1	50	-1.0	-42.23	395.08	5.06	-37.17
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020276867	0	55	-1.0	-42.13	428.78	6.70	-35.43
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020276867	1	55	-1.0	-42.13	428.83	6.71	-35.42
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020276868	0	52	-1.0	-43.75	406.69	6.16	-37.59
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020276868	1	52	-1.0	-43.69	406.75	6.17	-37.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020276869	0	46	-1.0	-39.41	380.05	9.11	-30.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020276869	1	46	-1.0	-39.44	380.10	9.13	-30.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020276870	0	43	-1.0	-43.29	348.23	9.42	-33.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020276870	1	43	-1.0	-43.23	348.16	9.39	-33.84
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020276871	0	50	-1.0	-41.36	410.25	11.13	-30.23
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020276871	1	50	-1.0	-41.36	410.26	11.12	-30.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=CC=C1	REAL300020276872	0	52	-1.0	-42.41	412.96	9.38	-33.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=CC=C1	REAL300020276872	1	52	-1.0	-42.42	413.02	9.39	-33.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=CC=C1	REAL300020276873	0	49	-1.0	-47.50	392.67	8.55	-38.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=CC=C1	REAL300020276873	1	49	-1.0	-47.50	392.62	8.54	-38.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020276874	0	47	-1.0	-45.39	414.19	9.06	-36.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020276874	1	47	-1.0	-45.37	414.14	9.03	-36.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020276875	0	56	-1.0	-41.90	445.80	9.43	-32.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020276875	1	56	-1.0	-41.92	445.86	9.44	-32.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020276876	0	53	-1.0	-45.93	416.85	9.33	-36.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020276876	1	53	-1.0	-45.95	416.82	9.31	-36.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020276877	0	56	0.0	-66.47	427.53	10.28	-56.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020276877	1	56	0.0	-73.17	423.97	11.46	-61.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020276877	1	56	0.0	-66.45	427.59	10.31	-56.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020276877	1	56	0.0	-73.19	424.03	11.48	-61.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020276878	0	51	-1.0	-45.43	420.23	7.29	-38.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020276878	1	51	-1.0	-45.42	420.29	7.31	-38.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020276879	0	48	-1.0	-48.05	385.62	6.88	-41.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020276879	1	48	-1.0	-48.08	385.66	6.91	-41.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020276880	0	49	-1.0	-40.32	366.04	9.22	-31.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020276880	1	49	-1.0	-40.31	366.11	9.23	-31.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020276881	0	46	-1.0	-43.87	345.83	8.08	-35.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020276881	1	46	-1.0	-43.84	345.78	8.06	-35.78
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCCC1	REAL300020276882	0	53	-1.0	-41.68	403.78	10.60	-31.08
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCCC1	REAL300020276882	1	53	-1.0	-41.68	403.75	10.57	-31.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020276883	0	53	-1.0	-42.86	424.29	9.54	-33.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020276883	1	53	-1.0	-42.83	424.35	9.55	-33.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020276884	0	50	-1.0	-48.31	399.42	9.87	-38.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020276884	1	50	-1.0	-48.32	399.48	9.88	-38.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSCC	REAL300020276885	0	52	-1.0	-40.11	415.99	9.77	-30.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSCC	REAL300020276885	1	52	-1.0	-40.15	416.05	9.79	-30.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSCC	REAL300020276886	0	49	-1.0	-41.34	392.99	8.74	-32.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSCC	REAL300020276886	1	49	-1.0	-41.35	393.06	8.76	-32.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCCCC)C1(C)C	REAL300020276887	0	59	-1.0	-41.68	457.48	9.62	-32.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCCCC)C1(C)C	REAL300020276887	1	59	-1.0	-41.67	457.54	9.65	-32.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020276888	0	56	-1.0	-41.84	421.84	10.42	-31.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020276888	1	56	-1.0	-41.87	421.90	10.43	-31.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020276889	0	53	-1.0	-44.39	425.24	10.66	-33.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020276889	1	53	-1.0	-44.41	425.19	10.63	-33.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020276890	0	50	-1.0	-40.61	381.86	8.99	-31.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020276890	1	50	-1.0	-40.60	381.91	9.01	-31.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020276891	0	47	-1.0	-45.64	372.55	8.83	-36.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020276891	1	47	-1.0	-45.69	372.50	8.81	-36.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OCCC)=CC=C2C1	REAL300020276892	0	54	-1.0	-44.75	427.04	9.43	-35.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OCCC)=CC=C2C1	REAL300020276892	1	54	-1.0	-44.76	426.98	9.42	-35.34
C#CCN1C=CC(CN(CCOC)C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)=N1	REAL300020276893	0	52	-1.0	-46.91	438.50	7.24	-39.67
C#CCN1C=CC(CN(CCOC)C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)=N1	REAL300020276893	1	52	-1.0	-46.87	438.44	7.21	-39.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020276894	0	56	-1.0	-39.94	423.89	8.16	-31.78
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020276894	1	56	-1.0	-39.96	423.95	8.17	-31.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020276895	0	53	-1.0	-44.58	395.25	8.32	-36.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020276895	1	53	-1.0	-44.58	395.19	8.31	-36.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020276896	0	51	-1.0	-39.80	393.54	8.28	-31.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020276896	1	51	-1.0	-39.83	393.60	8.29	-31.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020276897	0	48	-1.0	-44.95	363.03	9.17	-35.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020276897	1	48	-1.0	-44.93	362.97	9.14	-35.79
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(C)CC	REAL300020276898	0	55	-1.0	-41.97	427.92	11.07	-30.90
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(C)CC	REAL300020276898	1	55	-1.0	-41.91	427.98	11.04	-30.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020276899	0	50	-1.0	-39.08	393.92	9.86	-29.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020276899	1	50	-1.0	-39.11	393.98	9.87	-29.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020276900	0	47	-1.0	-46.18	364.45	9.22	-36.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020276900	1	47	-1.0	-46.22	364.40	9.19	-37.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020276901	0	53	-1.0	-41.14	416.28	9.06	-32.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020276901	1	53	-1.0	-41.15	416.32	9.08	-32.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020276902	0	50	-1.0	-44.03	399.32	8.48	-35.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020276902	1	50	-1.0	-44.07	399.29	8.46	-35.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020276903	0	53	-1.0	-41.22	408.45	9.52	-31.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020276903	1	53	-1.0	-41.18	408.50	9.54	-31.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020276904	0	50	-1.0	-40.71	391.64	8.91	-31.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020276904	1	50	-1.0	-40.75	391.59	8.89	-31.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020276905	0	52	-1.0	-40.91	425.52	10.03	-30.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020276905	1	52	-1.0	-40.90	425.58	10.05	-30.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020276906	0	49	-1.0	-43.55	397.19	9.83	-33.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020276906	1	49	-1.0	-43.55	397.13	9.80	-33.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020276907	0	49	-1.0	-41.98	383.41	6.24	-35.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020276907	1	49	-1.0	-42.01	383.46	6.26	-35.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020276908	0	46	-1.0	-44.90	363.83	5.87	-39.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020276908	1	46	-1.0	-44.92	363.88	5.89	-39.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020276909	0	41	-1.0	-39.15	346.03	7.01	-32.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020276909	1	41	-1.0	-39.17	346.09	7.02	-32.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020276910	0	38	-1.0	-41.56	320.67	6.45	-35.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020276910	1	38	-1.0	-41.52	320.61	6.43	-35.09
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1	REAL300020276911	0	45	-1.0	-41.77	377.09	9.41	-32.36
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1	REAL300020276911	1	45	-1.0	-41.77	377.15	9.40	-32.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C(C)C	REAL300020276912	0	45	-1.0	-39.93	346.26	7.36	-32.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C(C)C	REAL300020276912	1	45	-1.0	-39.92	346.31	7.37	-32.55
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C(C)C	REAL300020276913	0	49	-1.0	-41.48	390.70	9.17	-32.31
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C(C)C	REAL300020276913	1	49	-1.0	-41.44	390.76	9.16	-32.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020276914	0	48	-1.0	-42.67	403.71	11.35	-31.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020276914	1	48	-1.0	-42.63	403.78	11.37	-31.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020276915	0	47	-1.0	-42.12	374.58	4.78	-37.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020276915	1	47	-1.0	-42.13	374.64	4.80	-37.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020276916	0	44	-1.0	-45.34	350.50	3.98	-41.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020276916	1	44	-1.0	-45.31	350.44	3.95	-41.36
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020276917	0	51	-1.0	-44.41	399.32	6.72	-37.69
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020276917	1	51	-1.0	-44.37	399.38	6.71	-37.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020276918	0	49	-1.0	-39.64	387.23	8.48	-31.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020276918	1	49	-1.0	-39.66	387.29	8.49	-31.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020276919	0	46	-1.0	-41.29	365.75	7.72	-33.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020276919	1	46	-1.0	-41.28	365.69	7.69	-33.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020276920	0	54	-1.0	-45.58	425.68	8.79	-36.79
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020276920	1	54	-1.0	-45.61	425.73	8.81	-36.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020276921	0	51	-1.0	-42.71	403.34	7.53	-35.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020276921	1	51	-1.0	-42.71	403.39	7.55	-35.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020276922	0	51	-1.0	-41.17	404.39	6.48	-34.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020276922	1	51	-1.0	-41.16	404.45	6.49	-34.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020276923	0	48	-1.0	-43.99	386.55	5.96	-38.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020276923	1	48	-1.0	-43.97	386.61	5.99	-37.98
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020276924	0	49	-1.0	-43.07	383.55	9.28	-33.79
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020276924	1	49	-1.0	-43.11	383.61	9.29	-33.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020276925	0	46	-1.0	-46.58	369.48	9.55	-37.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020276925	1	46	-1.0	-46.55	369.42	9.53	-37.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020276926	0	54	-1.0	-41.38	440.15	11.29	-30.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020276926	1	54	-1.0	-41.45	440.19	11.32	-30.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C(C)C1=CC=CC=C1Cl)C1CC1	REAL300020276927	0	50	-1.0	-44.76	412.85	9.48	-35.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C(C)C1=CC=CC=C1Cl)C1CC1	REAL300020276927	1	50	-1.0	-44.78	412.78	9.46	-35.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020276928	0	51	-1.0	-40.18	395.33	7.61	-32.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020276928	1	51	-1.0	-40.13	395.39	7.62	-32.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020276929	0	48	-1.0	-42.58	375.44	6.66	-35.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020276929	1	48	-1.0	-42.53	375.38	6.63	-35.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020276930	0	50	-1.0	-39.68	429.90	11.06	-28.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020276930	1	50	-1.0	-39.67	429.96	11.08	-28.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020276931	0	47	-1.0	-43.27	402.06	10.57	-32.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020276931	1	47	-1.0	-43.24	401.99	10.54	-32.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020276932	0	47	-1.0	-40.70	393.38	9.99	-30.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020276932	1	47	-1.0	-40.69	393.31	9.97	-30.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020276933	0	50	-1.0	-39.50	416.48	10.34	-29.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020276933	1	50	-1.0	-39.47	416.53	10.35	-29.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020276934	0	47	-1.0	-44.14	386.59	9.23	-34.91
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020276934	1	47	-1.0	-44.12	386.53	9.20	-34.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020276935	0	54	-1.0	-41.70	427.80	8.49	-33.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020276935	1	54	-1.0	-41.71	427.84	8.51	-33.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020276936	0	51	-1.0	-43.89	414.32	9.16	-34.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020276936	1	51	-1.0	-43.88	414.27	9.13	-34.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(CC)C=C1)C1CC1	REAL300020276937	0	56	-1.0	-39.28	444.73	11.75	-27.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(CC)C=C1)C1CC1	REAL300020276937	1	56	-1.0	-39.25	444.79	11.77	-27.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(CC)C=C1)C1CC1	REAL300020276938	0	53	-1.0	-43.08	428.22	11.49	-31.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(CC)C=C1)C1CC1	REAL300020276938	1	53	-1.0	-43.13	428.14	11.46	-31.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020276939	0	47	-1.0	-38.83	384.74	9.20	-29.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020276939	1	47	-1.0	-38.79	384.80	9.21	-29.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020276940	0	44	-1.0	-45.91	377.92	8.26	-37.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020276940	1	44	-1.0	-45.86	377.86	8.23	-37.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020276941	0	49	-1.0	-40.41	403.50	10.27	-30.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020276941	1	49	-1.0	-40.38	403.57	10.29	-30.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020276942	0	46	-1.0	-45.40	381.04	9.54	-35.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020276942	1	46	-1.0	-45.38	380.98	9.52	-35.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020276943	0	55	-1.0	-40.63	412.03	9.49	-31.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020276943	1	55	-1.0	-40.66	412.09	9.51	-31.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020276944	0	52	-1.0	-42.86	398.28	8.21	-34.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020276944	1	52	-1.0	-42.90	398.23	8.19	-34.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020276945	0	52	-1.0	-40.76	396.20	8.99	-31.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020276945	1	52	-1.0	-40.72	396.26	9.01	-31.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020276946	0	49	-1.0	-42.17	371.35	8.39	-33.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020276946	1	49	-1.0	-42.20	371.29	8.37	-33.83
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC(C)C1	REAL300020276947	0	56	-1.0	-41.56	417.47	10.96	-30.60
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC(C)C1	REAL300020276947	1	56	-1.0	-41.51	417.47	10.94	-30.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020276948	0	49	-1.0	-39.66	403.50	10.28	-29.38
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020276948	1	49	-1.0	-39.66	403.57	10.30	-29.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020276949	0	46	-1.0	-42.26	381.21	10.20	-32.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020276949	1	46	-1.0	-42.28	381.15	10.18	-32.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020276950	0	46	-1.0	-39.33	372.18	7.90	-31.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020276950	1	46	-1.0	-39.38	372.24	7.92	-31.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020276951	0	43	-1.0	-43.26	345.72	7.40	-35.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020276951	1	43	-1.0	-43.28	345.69	7.38	-35.90
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020276952	0	50	-1.0	-44.04	406.54	9.53	-34.51
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020276952	1	50	-1.0	-43.95	406.55	9.52	-34.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C	REAL300020276953	0	46	-1.0	-41.06	358.80	7.87	-33.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C	REAL300020276953	1	46	-1.0	-41.07	358.86	7.89	-33.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C	REAL300020276954	0	43	-1.0	-42.56	339.29	6.03	-36.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C	REAL300020276954	1	43	-1.0	-42.58	339.23	6.01	-36.57
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020276955	0	50	-1.0	-42.89	383.94	9.83	-33.06
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020276955	1	50	-1.0	-42.88	383.95	9.82	-33.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C1(CC)CC	REAL300020276956	0	59	-1.0	-47.14	422.89	9.76	-37.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C1(CC)CC	REAL300020276956	1	59	-1.0	-47.10	422.95	9.79	-37.31
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)NCC)C1	REAL300020276957	0	51	-1.0	-51.61	412.30	3.14	-48.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)NCC)C1	REAL300020276957	1	51	-1.0	-51.61	412.35	3.15	-48.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)NCC)C1	REAL300020276958	0	48	-1.0	-55.37	389.48	2.74	-52.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)NCC)C1	REAL300020276958	1	48	-1.0	-55.36	389.53	2.75	-52.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020276959	0	49	-1.0	-40.07	401.95	8.51	-31.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020276959	1	49	-1.0	-40.09	402.03	8.52	-31.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020276960	0	46	-1.0	-41.11	384.12	8.21	-32.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020276960	1	46	-1.0	-41.07	384.18	8.24	-32.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020276961	0	49	-1.0	-41.80	396.16	9.28	-32.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020276961	1	49	-1.0	-41.86	396.21	9.29	-32.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020276962	0	46	-1.0	-44.10	369.03	9.32	-34.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020276962	1	46	-1.0	-44.12	369.11	9.34	-34.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020276963	0	47	-1.0	-46.15	379.21	8.03	-38.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020276963	1	47	-1.0	-46.15	379.15	8.01	-38.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020276964	0	51	-1.0	-50.66	406.46	3.95	-46.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020276964	1	51	-1.0	-50.65	406.52	3.97	-46.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020276965	0	53	-1.0	-42.24	382.94	7.16	-35.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020276965	1	53	-1.0	-42.23	383.00	7.17	-35.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020276966	0	50	-1.0	-44.06	373.00	6.66	-37.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020276966	1	50	-1.0	-44.05	372.94	6.63	-37.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C12CCC2	REAL300020276967	0	57	-1.0	-42.64	444.78	9.24	-33.40
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C12CCC2	REAL300020276967	1	57	-1.0	-42.59	444.84	9.26	-33.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C12CCC2	REAL300020276968	0	54	-1.0	-45.48	418.14	8.80	-36.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C12CCC2	REAL300020276968	1	54	-1.0	-45.54	418.35	8.80	-36.74
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020276969	0	59	-1.0	-41.35	423.79	9.53	-31.82
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020276969	1	59	-1.0	-41.35	423.83	9.55	-31.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020276970	0	56	-1.0	-48.10	402.58	8.94	-39.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020276970	1	56	-1.0	-48.13	402.65	8.96	-39.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020276971	0	47	-1.0	-44.15	394.14	9.35	-34.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020276971	1	47	-1.0	-44.21	394.19	9.36	-34.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020276972	0	44	-1.0	-46.55	367.86	8.53	-38.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020276972	1	44	-1.0	-46.55	367.81	8.50	-38.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020276973	0	59	-1.0	-41.85	452.94	10.57	-31.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020276973	1	59	-1.0	-41.83	453.00	10.58	-31.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020276974	0	56	-1.0	-43.68	417.49	9.84	-33.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020276974	1	56	-1.0	-43.66	417.55	9.86	-33.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020276975	0	52	-1.0	-43.11	394.94	9.76	-33.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020276975	1	52	-1.0	-43.12	394.99	9.78	-33.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020276976	0	49	-1.0	-48.18	379.02	9.50	-38.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020276976	1	49	-1.0	-48.21	378.98	9.49	-38.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020276977	0	49	-1.0	-42.01	398.71	9.29	-32.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020276977	1	49	-1.0	-41.97	398.77	9.30	-32.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020276978	0	46	-1.0	-44.09	376.79	9.60	-34.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020276978	1	46	-1.0	-44.01	376.74	9.59	-34.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020276979	0	50	-1.0	-39.50	400.77	8.92	-30.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020276979	1	50	-1.0	-39.51	400.83	8.94	-30.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020276980	0	47	-1.0	-45.91	387.06	10.84	-35.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020276980	1	47	-1.0	-45.86	386.98	10.83	-35.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020276981	0	50	-1.0	-42.09	413.21	11.08	-31.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020276981	1	50	-1.0	-42.09	413.27	11.10	-30.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020276982	0	47	-1.0	-42.68	386.05	8.97	-33.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020276982	1	47	-1.0	-42.62	385.98	8.94	-33.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020276983	0	50	-1.0	-43.19	413.88	11.05	-32.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020276983	1	50	-1.0	-43.19	413.93	11.06	-32.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020276984	0	47	-1.0	-42.90	388.01	8.56	-34.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020276984	1	47	-1.0	-42.90	387.96	8.53	-34.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020276985	0	56	-1.0	-43.32	414.66	10.52	-32.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020276985	1	56	-1.0	-43.33	414.71	10.53	-32.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020276986	0	53	-1.0	-43.81	395.14	9.02	-34.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020276986	1	53	-1.0	-43.85	395.09	9.00	-34.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020276987	0	53	-1.0	-40.76	406.76	9.78	-30.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020276987	1	53	-1.0	-40.84	406.82	9.79	-31.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020276988	0	50	-1.0	-43.93	381.98	9.40	-34.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020276988	1	50	-1.0	-43.89	381.92	9.38	-34.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020276989	0	53	-1.0	-42.70	418.55	11.21	-31.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020276989	1	53	-1.0	-42.70	418.61	11.22	-31.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020276990	0	50	-1.0	-41.22	395.51	8.88	-32.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020276990	1	50	-1.0	-41.25	395.44	8.85	-32.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020276991	0	47	-1.0	-42.84	369.44	8.25	-34.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020276991	1	47	-1.0	-42.86	369.50	8.26	-34.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020276992	0	44	-1.0	-43.25	368.96	8.47	-34.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020276992	1	44	-1.0	-43.20	368.91	8.44	-34.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020276993	0	52	-1.0	-40.42	411.28	9.52	-30.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020276993	1	52	-1.0	-40.38	411.33	9.53	-30.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020276994	0	49	-1.0	-53.34	390.11	8.14	-45.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020276994	1	49	-1.0	-53.32	390.06	8.12	-45.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020276995	0	52	-1.0	-39.76	411.39	10.24	-29.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020276995	1	52	-1.0	-39.79	411.43	10.25	-29.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020276996	0	49	-1.0	-41.29	393.63	8.86	-32.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020276996	1	49	-1.0	-41.30	393.58	8.84	-32.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020276997	0	52	-1.0	-42.01	411.61	10.78	-31.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020276997	1	52	-1.0	-42.01	411.66	10.79	-31.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020276998	0	49	-1.0	-42.36	382.88	9.31	-33.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020276998	1	49	-1.0	-42.36	382.82	9.29	-33.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC(Cl)=C1	REAL300020276999	0	49	-1.0	-40.13	414.12	10.18	-29.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC(Cl)=C1	REAL300020276999	1	49	-1.0	-40.14	414.18	10.20	-29.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC(Cl)=C1	REAL300020277000	0	46	-1.0	-43.13	381.23	9.08	-34.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC(Cl)=C1	REAL300020277000	1	46	-1.0	-43.13	381.18	9.05	-34.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1Cl	REAL300020277001	0	49	-1.0	-41.08	406.06	9.25	-31.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1Cl	REAL300020277001	1	49	-1.0	-41.03	406.12	9.27	-31.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1Cl	REAL300020277002	0	46	-1.0	-45.88	377.54	8.73	-37.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1Cl	REAL300020277002	1	46	-1.0	-45.84	377.49	8.70	-37.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020277003	0	49	-1.0	-47.04	412.31	11.09	-35.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020277003	1	49	-1.0	-46.98	412.24	11.07	-35.91
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020277004	0	49	-1.0	-44.40	420.40	10.42	-33.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020277004	1	49	-1.0	-44.39	420.34	10.39	-34.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020277005	0	49	-1.0	-52.82	398.94	9.61	-43.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020277005	1	49	-1.0	-52.79	398.86	9.57	-43.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCC)C(C)C	REAL300020277006	0	54	-1.0	-41.15	415.82	8.72	-32.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCC)C(C)C	REAL300020277006	1	54	-1.0	-41.10	415.88	8.73	-32.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCC)C(C)C	REAL300020277007	0	51	-1.0	-44.27	395.62	7.93	-36.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCC)C(C)C	REAL300020277007	1	51	-1.0	-44.25	395.56	7.91	-36.34
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCCC)C(C)C	REAL300020277008	0	58	-1.0	-43.07	441.79	10.60	-32.47
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCCC)C(C)C	REAL300020277008	1	58	-1.0	-43.03	441.82	10.58	-32.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020277009	0	49	-1.0	-49.54	400.33	8.60	-40.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020277009	1	49	-1.0	-49.56	400.27	8.58	-40.98
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)C=C1	REAL300020277010	0	49	-1.0	-40.26	405.59	9.31	-30.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)C=C1	REAL300020277010	1	49	-1.0	-40.28	405.63	9.32	-30.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)C=C1	REAL300020277011	0	46	-1.0	-42.80	393.02	9.75	-33.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)C=C1	REAL300020277011	1	46	-1.0	-42.77	392.96	9.72	-33.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020277012	0	49	-1.0	-39.44	380.13	8.97	-30.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020277012	1	49	-1.0	-39.44	380.19	8.98	-30.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020277013	0	46	-1.0	-41.78	363.24	8.47	-33.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020277013	1	46	-1.0	-41.81	363.18	8.45	-33.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020277014	0	51	-1.0	-41.14	408.14	5.46	-35.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020277014	1	51	-1.0	-41.15	408.19	5.47	-35.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020277015	0	48	-1.0	-44.17	379.14	5.04	-39.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020277015	1	48	-1.0	-44.12	379.08	5.03	-39.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020277016	0	46	-1.0	-52.47	382.40	3.92	-48.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020277016	1	46	-1.0	-52.49	382.46	3.94	-48.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020277017	0	43	-1.0	-49.00	357.77	3.11	-45.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020277017	1	43	-1.0	-48.96	357.72	3.08	-45.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020277018	0	53	-1.0	-41.70	436.65	8.14	-33.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020277018	1	53	-1.0	-41.70	436.70	8.15	-33.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020277019	0	50	-1.0	-43.86	406.64	7.88	-35.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020277019	1	50	-1.0	-43.83	406.59	7.86	-35.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2C1	REAL300020277020	0	52	-1.0	-45.46	413.89	8.25	-37.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2C1	REAL300020277020	1	52	-1.0	-45.45	413.84	8.24	-37.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020277021	0	49	-1.0	-50.36	390.70	4.57	-45.79
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020277021	1	49	-1.0	-50.38	390.76	4.59	-45.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020277022	0	46	-1.0	-49.04	360.65	4.05	-44.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020277022	1	46	-1.0	-49.04	360.71	4.05	-44.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020277023	0	53	-1.0	-43.47	422.23	8.79	-34.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020277023	1	53	-1.0	-43.48	422.27	8.81	-34.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1COC2=CC=CC=C2O1	REAL300020277024	0	52	-1.0	-47.09	408.98	7.91	-39.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1COC2=CC=CC=C2O1	REAL300020277024	1	52	-1.0	-47.10	409.04	7.93	-39.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020277025	0	53	-1.0	-44.09	419.33	8.57	-35.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020277025	1	53	-1.0	-44.10	419.39	8.59	-35.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC=C1CC	REAL300020277026	0	53	-1.0	-43.84	431.58	8.33	-35.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC=C1CC	REAL300020277026	1	53	-1.0	-43.83	431.64	8.35	-35.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020277027	0	52	-1.0	-40.63	400.82	9.09	-31.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020277027	1	52	-1.0	-40.68	400.88	9.11	-31.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020277028	0	49	-1.0	-43.35	368.47	7.94	-35.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020277028	1	49	-1.0	-43.32	368.43	7.92	-35.40
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC(C)CC1	REAL300020277029	0	56	-1.0	-42.52	416.64	10.63	-31.89
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC(C)CC1	REAL300020277029	1	56	-1.0	-42.52	416.64	10.62	-31.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CS1	REAL300020277030	0	46	-1.0	-39.72	387.33	8.84	-30.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CS1	REAL300020277030	1	46	-1.0	-39.69	387.39	8.85	-30.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CS1	REAL300020277031	0	43	-1.0	-42.30	370.41	7.74	-34.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CS1	REAL300020277031	1	43	-1.0	-42.26	370.35	7.72	-34.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020277032	0	52	-1.0	-44.32	413.95	7.60	-36.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020277032	1	52	-1.0	-44.35	414.01	7.61	-36.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020277033	0	49	-1.0	-44.26	399.28	7.68	-36.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020277033	1	49	-1.0	-44.25	399.23	7.66	-36.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020277034	0	51	-1.0	-46.50	432.67	10.70	-35.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020277034	1	51	-1.0	-46.53	432.73	10.71	-35.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020277035	0	48	-1.0	-49.13	412.67	9.70	-39.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020277035	1	48	-1.0	-49.13	412.73	9.73	-39.40
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020277036	0	52	-1.0	-44.11	426.68	6.93	-37.18
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020277036	1	52	-1.0	-44.13	426.74	6.95	-37.18
C#CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020277037	0	49	-1.0	-44.65	411.68	6.04	-38.61
C#CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020277037	1	49	-1.0	-44.63	411.74	6.06	-38.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020277038	0	51	-1.0	-51.55	406.60	5.81	-45.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020277038	1	51	-1.0	-51.58	406.66	5.82	-45.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020277039	0	48	-1.0	-52.86	386.37	5.01	-47.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020277039	1	48	-1.0	-52.80	386.43	5.04	-47.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020277040	0	51	-1.0	-47.92	399.18	5.37	-42.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020277040	1	51	-1.0	-47.93	399.24	5.39	-42.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020277041	0	48	-1.0	-52.67	382.41	4.22	-48.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020277041	1	48	-1.0	-52.69	382.47	4.25	-48.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020277042	0	50	-1.0	-43.61	397.02	9.53	-34.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020277042	1	50	-1.0	-43.59	397.08	9.54	-34.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020277043	0	47	-1.0	-44.23	379.68	8.60	-35.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020277043	1	47	-1.0	-44.18	379.63	8.58	-35.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020277044	0	44	-1.0	-40.29	352.01	7.61	-32.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020277044	1	44	-1.0	-40.32	352.07	7.63	-32.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020277045	0	41	-1.0	-42.22	331.03	6.80	-35.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020277045	1	41	-1.0	-42.25	330.97	6.78	-35.47
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC21	REAL300020277046	0	48	-1.0	-42.31	375.74	8.00	-34.31
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC21	REAL300020277046	1	48	-1.0	-42.21	375.69	7.99	-34.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CCC1=CC=CC(F)=C1	REAL300020277047	0	55	-1.0	-43.01	437.58	10.41	-32.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CCC1=CC=CC(F)=C1	REAL300020277047	1	55	-1.0	-42.96	437.63	10.43	-32.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CCC1=CC=CC(F)=C1	REAL300020277048	0	52	-1.0	-45.92	421.93	9.89	-36.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CCC1=CC=CC(F)=C1	REAL300020277048	1	52	-1.0	-45.92	421.87	9.87	-36.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020277049	0	53	-1.0	-41.81	441.05	11.45	-30.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020277049	1	53	-1.0	-41.78	441.11	11.46	-30.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020277050	0	50	-1.0	-43.36	407.92	10.11	-33.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020277050	1	50	-1.0	-43.39	407.86	10.08	-33.31
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020277051	0	58	-1.0	-40.45	418.68	9.89	-30.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020277051	1	58	-1.0	-40.45	418.74	9.91	-30.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020277052	0	55	-1.0	-43.73	397.20	9.24	-34.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020277052	1	55	-1.0	-43.77	397.26	9.27	-34.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020277053	0	55	-1.0	-39.58	398.98	9.60	-29.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020277053	1	55	-1.0	-39.63	399.04	9.62	-30.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020277054	0	52	-1.0	-42.89	378.03	9.90	-32.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020277054	1	52	-1.0	-42.87	377.97	9.89	-32.98
C#CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277055	0	41	-1.0	-38.76	339.96	7.10	-31.66
C#CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277055	1	41	-1.0	-38.74	340.01	7.11	-31.63
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020277056	0	45	-1.0	-41.46	364.35	9.06	-32.40
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020277056	1	45	-1.0	-41.44	364.40	9.05	-32.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020277057	0	57	0.0	-66.71	425.53	7.20	-59.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020277057	1	57	0.0	-67.73	419.97	7.48	-60.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020277057	1	57	0.0	-66.61	425.58	7.23	-59.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020277057	1	57	0.0	-67.76	420.02	7.50	-60.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020277058	0	51	-1.0	-44.42	406.62	7.99	-36.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020277058	1	51	-1.0	-44.38	406.68	8.01	-36.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020277059	0	48	-1.0	-44.53	380.46	8.61	-35.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020277059	1	48	-1.0	-44.53	380.40	8.59	-35.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020277060	0	52	-1.0	-38.99	388.86	8.72	-30.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020277060	1	52	-1.0	-38.99	388.92	8.74	-30.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020277061	0	49	-1.0	-41.50	355.46	8.00	-33.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020277061	1	49	-1.0	-41.49	355.40	7.98	-33.51
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020277062	0	56	-1.0	-40.83	412.87	11.97	-28.86
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020277062	1	56	-1.0	-40.82	412.89	11.96	-28.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020277063	0	47	-1.0	-44.09	396.70	5.94	-38.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020277063	1	47	-1.0	-44.07	396.76	5.97	-38.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)C1CC	REAL300020277064	0	56	-1.0	-45.02	425.77	10.56	-34.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)C1CC	REAL300020277064	1	56	-1.0	-45.04	425.73	10.55	-34.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020277065	0	56	-1.0	-41.69	436.73	11.32	-30.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020277065	1	56	-1.0	-41.69	436.79	11.34	-30.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020277066	0	53	-1.0	-43.67	418.89	9.93	-33.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020277066	1	53	-1.0	-43.65	418.84	9.90	-33.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020277067	0	53	-1.0	-41.34	411.97	10.56	-30.78
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020277067	1	53	-1.0	-41.35	412.03	10.57	-30.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020277068	0	50	-1.0	-45.09	389.36	10.11	-34.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020277068	1	50	-1.0	-45.11	389.30	10.10	-35.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020277069	0	48	-1.0	-45.27	408.64	10.41	-34.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020277069	1	48	-1.0	-45.25	408.70	10.44	-34.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020277070	0	56	-1.0	-42.76	439.73	11.91	-30.85
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020277070	1	56	-1.0	-42.72	439.79	11.93	-30.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020277071	0	53	-1.0	-46.21	409.50	11.81	-34.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020277071	1	53	-1.0	-46.24	409.45	11.80	-34.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020277072	0	59	-1.0	-40.39	425.23	10.75	-29.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020277072	1	59	-1.0	-40.44	425.29	10.76	-29.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020277073	0	56	-1.0	-45.31	392.01	10.33	-34.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020277073	1	56	-1.0	-45.24	392.07	10.34	-34.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020277074	0	47	-1.0	-39.99	380.55	8.76	-31.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020277074	1	47	-1.0	-40.01	380.61	8.77	-31.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020277075	0	44	-1.0	-43.37	359.97	8.56	-34.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020277075	1	44	-1.0	-43.36	359.91	8.54	-34.82
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020277076	0	51	-1.0	-41.38	404.14	10.62	-30.76
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020277076	1	51	-1.0	-41.42	404.15	10.62	-30.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020277077	0	49	-1.0	-42.01	393.75	5.09	-36.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020277077	1	49	-1.0	-42.09	393.81	5.10	-36.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020277078	0	46	-1.0	-43.52	379.02	4.27	-39.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020277078	1	46	-1.0	-43.51	378.97	4.23	-39.28
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCCCO	REAL300020277079	0	53	-1.0	-43.74	419.87	7.01	-36.73
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCCCO	REAL300020277079	1	53	-1.0	-43.70	419.94	7.03	-36.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020277080	0	53	-1.0	-41.03	432.82	7.76	-33.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020277080	1	53	-1.0	-41.02	432.87	7.78	-33.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020277081	0	50	-1.0	-43.78	406.96	7.34	-36.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020277081	1	50	-1.0	-43.80	406.91	7.32	-36.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020277082	0	51	-1.0	-42.87	408.35	10.23	-32.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020277082	1	51	-1.0	-42.89	408.41	10.25	-32.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020277083	0	48	-1.0	-46.34	384.38	9.75	-36.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020277083	1	48	-1.0	-46.33	384.34	9.73	-36.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020277084	0	49	-1.0	-40.44	388.17	7.69	-32.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020277084	1	49	-1.0	-40.45	388.23	7.71	-32.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020277085	0	46	-1.0	-42.64	360.75	7.51	-35.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020277085	1	46	-1.0	-42.64	360.69	7.49	-35.15
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CCC1C	REAL300020277086	0	53	-1.0	-41.50	415.36	9.68	-31.82
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CCC1C	REAL300020277086	1	53	-1.0	-41.41	415.34	9.66	-31.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020277087	0	50	-1.0	-42.09	390.79	8.74	-33.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020277087	1	50	-1.0	-42.13	390.85	8.76	-33.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020277088	0	47	-1.0	-42.14	376.78	8.94	-33.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020277088	1	47	-1.0	-42.13	376.73	8.92	-33.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020277089	0	56	-1.0	-45.37	439.10	11.16	-34.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020277089	1	56	-1.0	-45.37	439.16	11.19	-34.18
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020277090	0	62	-1.0	-41.69	468.11	11.08	-30.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020277090	1	62	-1.0	-41.73	468.17	11.10	-30.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020277091	0	59	-1.0	-43.36	435.56	10.46	-32.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020277091	1	59	-1.0	-43.38	435.62	10.48	-32.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020277092	0	50	-1.0	-48.17	411.20	9.11	-39.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020277092	1	50	-1.0	-48.18	411.13	9.09	-39.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020277093	0	56	-1.0	-48.84	435.23	6.97	-41.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020277093	1	56	-1.0	-48.85	435.28	6.98	-41.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020277094	0	53	-1.0	-48.85	418.78	5.27	-43.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020277094	1	53	-1.0	-48.83	418.83	5.30	-43.53
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277095	0	47	-1.0	-40.12	387.71	9.30	-30.82
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277095	1	47	-1.0	-40.12	387.77	9.31	-30.81
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277096	0	44	-1.0	-41.76	358.04	7.76	-34.00
C=CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277096	1	44	-1.0	-41.78	357.98	7.74	-34.04
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020277097	0	51	-1.0	-42.27	413.72	10.39	-31.88
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020277097	1	51	-1.0	-42.21	413.78	10.38	-31.83
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277098	0	50	-1.0	-42.17	418.20	8.90	-33.27
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277098	1	50	-1.0	-42.17	418.25	8.91	-33.26
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277099	0	47	-1.0	-45.05	393.73	8.51	-36.54
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277099	1	47	-1.0	-45.05	393.67	8.49	-36.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020277100	0	52	-1.0	-45.70	412.80	8.18	-37.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020277100	1	52	-1.0	-45.71	412.84	8.20	-37.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020277101	0	49	-1.0	-49.02	386.27	8.59	-40.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020277101	1	49	-1.0	-49.00	386.33	8.61	-40.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020277102	0	46	-1.0	-53.25	357.34	7.31	-45.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020277102	1	46	-1.0	-53.22	357.28	7.29	-45.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020277103	0	51	-1.0	-46.67	401.32	8.19	-38.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020277103	1	51	-1.0	-46.68	401.30	8.16	-38.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020277104	0	47	-1.0	-40.69	389.37	9.17	-31.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020277104	1	47	-1.0	-40.70	389.42	9.18	-31.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020277105	0	44	-1.0	-42.19	344.68	7.68	-34.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020277105	1	44	-1.0	-42.15	344.70	7.70	-34.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020277106	0	51	-1.0	-47.12	422.39	10.04	-37.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020277106	1	51	-1.0	-47.07	422.45	10.05	-37.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020277107	0	48	-1.0	-51.13	401.83	9.31	-41.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020277107	1	48	-1.0	-51.16	401.88	9.33	-41.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020277108	0	44	-1.0	-41.76	358.20	10.73	-31.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020277108	1	44	-1.0	-41.77	358.15	10.72	-31.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020277109	0	41	-1.0	-47.44	340.51	10.12	-37.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020277109	1	41	-1.0	-47.42	340.47	10.10	-37.32
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020277110	0	48	-1.0	-42.91	394.84	12.89	-30.02
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020277110	1	48	-1.0	-42.96	394.83	12.88	-30.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020277111	0	46	-1.0	-42.05	375.30	9.90	-32.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020277111	1	46	-1.0	-42.07	375.25	9.89	-32.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020277112	0	43	-1.0	-47.20	354.76	9.13	-38.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020277112	1	43	-1.0	-47.22	354.69	9.10	-38.12
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020277113	0	50	-1.0	-43.40	403.37	11.78	-31.62
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020277113	1	50	-1.0	-43.41	403.40	11.77	-31.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020277114	0	46	-1.0	-41.82	368.11	9.58	-32.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020277114	1	46	-1.0	-41.83	368.05	9.57	-32.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020277115	0	43	-1.0	-47.71	354.67	9.09	-38.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020277115	1	43	-1.0	-47.76	354.61	9.07	-38.69
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020277116	0	50	-1.0	-42.26	410.50	12.12	-30.14
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020277116	1	50	-1.0	-42.25	410.48	12.12	-30.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020277117	0	49	-1.0	-42.18	398.06	10.58	-31.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020277117	1	49	-1.0	-42.16	398.11	10.59	-31.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020277118	0	46	-1.0	-47.71	376.61	9.82	-37.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020277118	1	46	-1.0	-47.73	376.55	9.79	-37.94
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020277119	0	49	-1.0	-43.47	380.05	11.68	-31.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020277119	1	49	-1.0	-43.45	379.99	11.67	-31.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020277120	0	46	-1.0	-46.39	362.92	10.80	-35.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020277120	1	46	-1.0	-46.41	362.86	10.78	-35.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020277121	0	52	-1.0	-41.34	406.85	10.81	-30.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020277121	1	52	-1.0	-41.30	406.91	10.82	-30.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020277122	0	49	-1.0	-46.46	392.66	10.30	-36.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020277122	1	49	-1.0	-46.50	392.58	10.28	-36.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020277123	0	56	-1.0	-44.69	420.49	13.08	-31.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020277123	1	56	-1.0	-44.70	420.55	13.10	-31.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020277124	0	53	-1.0	-50.36	401.00	12.66	-37.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020277124	1	53	-1.0	-50.32	400.95	12.63	-37.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020277125	0	50	-1.0	-45.49	382.65	11.96	-33.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020277125	1	50	-1.0	-45.47	382.70	11.97	-33.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020277126	0	47	-1.0	-48.05	365.26	11.37	-36.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020277126	1	47	-1.0	-48.02	365.20	11.35	-36.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020277127	0	54	-1.0	-43.59	411.16	13.12	-30.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020277127	1	54	-1.0	-43.64	411.21	13.14	-30.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020277128	0	51	-1.0	-46.65	401.55	12.28	-34.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020277128	1	51	-1.0	-46.67	401.49	12.25	-34.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020277129	0	56	-1.0	-41.86	433.63	12.84	-29.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020277129	1	56	-1.0	-41.88	433.69	12.86	-29.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020277130	0	53	-1.0	-44.60	414.73	12.13	-32.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020277130	1	53	-1.0	-44.60	414.71	12.09	-32.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020277131	0	47	-1.0	-45.06	366.99	11.48	-33.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020277131	1	47	-1.0	-45.09	366.93	11.47	-33.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020277132	0	44	-1.0	-47.53	361.85	10.78	-36.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020277132	1	44	-1.0	-47.53	361.78	10.76	-36.77
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020277133	0	51	-1.0	-42.81	416.26	13.56	-29.25
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020277133	1	51	-1.0	-42.80	416.27	13.55	-29.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020277134	0	51	-1.0	-44.21	419.83	13.59	-30.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020277134	1	51	-1.0	-44.21	419.81	13.56	-30.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020277135	0	53	-1.0	-41.11	414.77	12.39	-28.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020277135	1	53	-1.0	-41.17	414.82	12.40	-28.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020277136	0	50	-1.0	-46.84	391.60	11.66	-35.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020277136	1	50	-1.0	-46.84	391.52	11.64	-35.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020277137	0	52	-1.0	-41.56	411.88	10.97	-30.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020277137	1	52	-1.0	-41.54	411.94	10.99	-30.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020277138	0	49	-1.0	-48.23	393.58	10.37	-37.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020277138	1	49	-1.0	-48.22	393.51	10.34	-37.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020277139	0	51	-1.0	-46.64	404.25	13.65	-32.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020277139	1	51	-1.0	-46.62	404.18	13.63	-32.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020277140	0	48	-1.0	-41.30	390.04	12.04	-29.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020277140	1	48	-1.0	-41.35	390.10	12.05	-29.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020277141	0	45	-1.0	-47.18	359.71	11.52	-35.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020277141	1	45	-1.0	-47.22	359.64	11.51	-35.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020277142	0	51	-1.0	-46.68	393.78	8.82	-37.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020277142	1	51	-1.0	-46.75	393.84	8.83	-37.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020277143	0	48	-1.0	-51.16	394.66	7.18	-43.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020277143	1	48	-1.0	-51.09	394.60	7.15	-43.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020277144	0	51	-1.0	-41.15	404.93	12.46	-28.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020277144	1	51	-1.0	-41.17	404.98	12.47	-28.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020277145	0	48	-1.0	-43.83	385.67	11.61	-32.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020277145	1	48	-1.0	-43.81	385.61	11.59	-32.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020277146	0	56	-1.0	-41.32	425.71	12.50	-28.82
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020277146	1	56	-1.0	-41.30	425.77	12.52	-28.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020277147	0	53	-1.0	-43.29	409.21	11.99	-31.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020277147	1	53	-1.0	-43.25	409.13	11.96	-31.29
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020277148	0	53	-1.0	-42.84	421.28	9.85	-32.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020277148	1	53	-1.0	-42.86	421.34	9.87	-32.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020277149	0	50	-1.0	-49.72	402.58	9.30	-40.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020277149	1	50	-1.0	-49.72	402.52	9.26	-40.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020277150	0	53	-1.0	-41.95	412.57	6.44	-35.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020277150	1	53	-1.0	-41.93	412.63	6.45	-35.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020277151	0	50	-1.0	-44.89	397.41	5.19	-39.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020277151	1	50	-1.0	-44.93	397.47	5.21	-39.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020277152	0	47	-1.0	-42.42	390.38	9.01	-33.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020277152	1	47	-1.0	-42.39	390.43	9.02	-33.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020277153	0	44	-1.0	-42.73	370.89	8.91	-33.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020277153	1	44	-1.0	-42.71	370.84	8.90	-33.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020277154	0	47	-1.0	-43.20	378.84	8.77	-34.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020277154	1	47	-1.0	-43.16	378.89	8.79	-34.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020277155	0	44	-1.0	-43.78	362.68	8.55	-35.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020277155	1	44	-1.0	-43.75	362.62	8.52	-35.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020277156	0	51	-1.0	-43.77	415.27	9.08	-34.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020277156	1	51	-1.0	-43.77	415.21	9.06	-34.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020277157	0	53	-1.0	-39.99	417.08	10.67	-29.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020277157	1	53	-1.0	-40.03	417.16	10.69	-29.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020277158	0	50	-1.0	-44.54	377.25	8.17	-36.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020277158	1	50	-1.0	-44.52	377.19	8.14	-36.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020277159	0	46	-1.0	-41.71	380.06	6.83	-34.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020277159	1	46	-1.0	-41.70	380.12	6.85	-34.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020277160	0	43	-1.0	-42.65	353.25	6.65	-36.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020277160	1	43	-1.0	-42.64	353.20	6.63	-36.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC1	REAL300020277161	0	43	-1.0	-40.51	343.58	7.36	-33.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC1	REAL300020277161	1	43	-1.0	-40.50	343.64	7.38	-33.12
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1	REAL300020277162	0	47	-1.0	-41.98	379.74	9.39	-32.59
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC1	REAL300020277162	1	47	-1.0	-41.98	379.78	9.38	-32.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020277163	0	49	-1.0	-47.96	393.35	4.47	-43.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020277163	1	49	-1.0	-47.94	393.40	4.48	-43.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020277164	0	46	-1.0	-48.81	369.18	3.70	-45.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020277164	1	46	-1.0	-48.80	369.24	3.73	-45.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020277165	0	54	-1.0	-39.79	420.09	10.89	-28.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020277165	1	54	-1.0	-39.76	420.14	10.90	-28.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020277166	0	51	-1.0	-43.29	394.45	10.87	-32.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020277166	1	51	-1.0	-43.27	394.38	10.87	-32.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020277167	0	53	-1.0	-42.48	397.86	9.11	-33.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020277167	1	53	-1.0	-42.51	397.92	9.13	-33.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020277168	0	50	-1.0	-47.64	361.83	7.59	-40.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020277168	1	50	-1.0	-47.63	361.77	7.56	-40.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020277169	0	53	-1.0	-41.16	416.67	9.67	-31.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020277169	1	53	-1.0	-41.16	416.72	9.68	-31.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020277170	0	50	-1.0	-43.94	400.79	9.91	-34.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020277170	1	50	-1.0	-43.91	400.72	9.88	-34.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020277171	0	53	-1.0	-43.18	426.63	10.06	-33.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020277171	1	53	-1.0	-43.18	426.69	10.07	-33.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020277172	0	50	-1.0	-44.12	395.21	10.29	-33.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020277172	1	50	-1.0	-44.12	395.15	10.27	-33.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020277173	0	55	-1.0	-40.33	408.06	10.10	-30.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020277173	1	55	-1.0	-40.32	408.12	10.11	-30.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020277174	0	52	-1.0	-47.18	376.14	8.79	-38.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020277174	1	52	-1.0	-47.16	376.08	8.76	-38.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C)CC1	REAL300020277175	0	44	-1.0	-40.78	342.30	7.43	-33.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C)CC1	REAL300020277175	1	44	-1.0	-40.83	342.36	7.45	-33.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C)CC1	REAL300020277176	0	41	-1.0	-42.64	326.66	7.65	-34.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C)CC1	REAL300020277176	1	41	-1.0	-42.66	326.61	7.66	-35.00
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C)CC1	REAL300020277177	0	48	-1.0	-41.03	386.97	9.96	-31.07
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C)CC1	REAL300020277177	1	48	-1.0	-40.99	387.01	9.96	-31.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020277178	0	47	-1.0	-38.67	379.81	7.24	-31.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020277178	1	47	-1.0	-38.63	379.87	7.25	-31.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020277179	0	44	-1.0	-41.21	348.67	7.42	-33.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020277179	1	44	-1.0	-41.19	348.61	7.39	-33.80
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)C1C	REAL300020277180	0	51	-1.0	-40.77	413.13	9.22	-31.55
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)C1C	REAL300020277180	1	51	-1.0	-40.80	413.82	9.19	-31.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020277181	0	46	-1.0	-40.48	368.38	7.53	-32.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020277181	1	46	-1.0	-40.50	368.44	7.55	-32.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020277182	0	43	-1.0	-41.55	347.22	7.41	-34.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020277182	1	43	-1.0	-41.54	347.16	7.38	-34.16
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020277183	0	50	-1.0	-42.11	392.88	9.38	-32.73
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020277183	1	50	-1.0	-42.08	392.92	9.37	-32.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020277184	0	55	-1.0	-41.01	412.37	9.25	-31.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020277184	1	55	-1.0	-41.05	412.42	9.26	-31.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020277185	0	52	-1.0	-46.25	383.34	8.82	-37.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020277185	1	52	-1.0	-46.20	383.28	8.81	-37.39
C#CCN(CC#CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277186	0	43	-1.0	-40.60	362.61	8.57	-32.03
C#CCN(CC#CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277186	1	43	-1.0	-40.62	362.56	8.58	-32.04
C#CCN(CC#CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277187	0	40	-1.0	-42.38	353.03	7.74	-34.64
C#CCN(CC#CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277187	1	40	-1.0	-42.40	352.98	7.72	-34.68
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020277188	0	47	-1.0	-41.90	395.15	10.57	-31.33
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020277188	1	47	-1.0	-41.84	395.79	10.58	-31.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(C)C1	REAL300020277189	0	47	-1.0	-39.39	377.00	8.34	-31.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(C)C1	REAL300020277189	1	47	-1.0	-39.39	377.06	8.35	-31.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(C)C1	REAL300020277190	0	44	-1.0	-42.75	348.52	7.45	-35.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(C)C1	REAL300020277190	1	44	-1.0	-42.77	348.46	7.42	-35.35
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)=C(C)C1	REAL300020277191	0	51	-1.0	-40.92	404.34	10.52	-30.40
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)=C(C)C1	REAL300020277191	1	51	-1.0	-40.87	404.40	10.51	-30.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CCC1	REAL300020277192	0	49	-1.0	-39.84	385.29	8.24	-31.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CCC1	REAL300020277192	1	49	-1.0	-39.86	385.35	8.26	-31.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CCC1	REAL300020277193	0	46	-1.0	-44.17	355.84	7.99	-36.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CCC1	REAL300020277193	1	46	-1.0	-44.16	355.77	7.97	-36.19
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CCC1	REAL300020277194	0	53	-1.0	-41.81	414.55	10.18	-31.63
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CCC1	REAL300020277194	1	53	-1.0	-41.76	414.61	10.16	-31.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020277195	0	48	-1.0	-41.36	355.96	7.04	-34.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020277195	1	48	-1.0	-41.36	356.01	7.05	-34.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020277196	0	45	-1.0	-44.92	333.37	6.25	-38.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020277196	1	45	-1.0	-44.94	333.31	6.22	-38.72
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020277197	0	52	-1.0	-41.94	408.36	10.73	-31.21
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020277197	1	52	-1.0	-41.94	408.40	10.72	-31.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCSC	REAL300020277198	0	43	-1.0	-42.19	362.58	7.32	-34.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCSC	REAL300020277198	1	43	-1.0	-42.22	362.63	7.33	-34.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCSC	REAL300020277199	0	40	-1.0	-42.58	347.83	6.49	-36.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCSC	REAL300020277199	1	40	-1.0	-42.62	347.79	6.47	-36.15
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCSC	REAL300020277200	0	47	-1.0	-43.83	390.37	9.35	-34.48
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCSC	REAL300020277200	1	47	-1.0	-43.84	390.40	9.35	-34.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020277201	0	55	-1.0	-43.05	421.69	8.79	-34.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020277201	1	55	-1.0	-43.05	421.76	8.81	-34.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020277202	0	48	-1.0	-43.29	401.78	6.78	-36.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020277202	1	48	-1.0	-43.28	401.72	6.76	-36.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020277203	0	54	-1.0	-47.62	424.16	9.83	-37.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020277203	1	54	-1.0	-47.54	424.11	9.82	-37.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020277204	0	53	-1.0	-43.88	425.52	11.59	-32.29
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020277204	1	53	-1.0	-43.93	425.58	11.60	-32.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020277205	0	50	-1.0	-47.07	385.29	9.85	-37.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020277205	1	50	-1.0	-47.03	385.24	9.83	-37.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020277206	0	49	-1.0	-42.07	402.90	10.12	-31.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020277206	1	49	-1.0	-42.01	402.96	10.14	-31.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)CC1	REAL300020277207	0	52	-1.0	-40.21	392.81	9.40	-30.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)CC1	REAL300020277207	1	52	-1.0	-40.21	392.87	9.42	-30.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)CC1	REAL300020277208	0	49	-1.0	-42.91	370.25	8.59	-34.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)CC1	REAL300020277208	1	49	-1.0	-42.93	370.20	8.57	-34.36
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC)CC1	REAL300020277209	0	56	-1.0	-41.29	413.21	12.23	-29.06
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC)CC1	REAL300020277209	1	56	-1.0	-41.29	413.25	12.22	-29.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(SC)C1	REAL300020277210	0	50	-1.0	-42.19	395.56	9.34	-32.85
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(SC)C1	REAL300020277210	1	50	-1.0	-42.21	395.62	9.35	-32.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(SC)C1	REAL300020277211	0	47	-1.0	-45.78	372.29	8.69	-37.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(SC)C1	REAL300020277211	1	47	-1.0	-45.78	372.24	8.68	-37.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020277212	0	54	-1.0	-43.09	412.60	9.09	-34.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020277212	1	54	-1.0	-43.09	412.55	9.07	-34.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020277213	0	52	-1.0	-41.44	378.13	8.05	-33.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020277213	1	52	-1.0	-41.39	378.18	8.07	-33.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020277214	0	49	-1.0	-43.50	352.20	9.39	-34.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020277214	1	49	-1.0	-43.49	352.15	9.39	-34.10
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020277215	0	56	-1.0	-41.31	412.69	12.02	-29.29
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020277215	1	56	-1.0	-41.30	412.72	12.01	-29.29
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020277216	0	51	-1.0	-42.10	394.69	7.42	-34.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020277216	1	51	-1.0	-42.12	394.75	7.44	-34.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020277217	0	48	-1.0	-44.79	371.06	5.98	-38.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020277217	1	48	-1.0	-44.79	371.01	5.96	-38.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020277218	0	54	-1.0	-43.03	434.82	10.79	-32.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020277218	1	54	-1.0	-43.08	434.88	10.81	-32.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020277219	0	51	-1.0	-45.40	413.22	10.59	-34.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020277219	1	51	-1.0	-45.41	413.17	10.57	-34.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020277220	0	53	-1.0	-40.53	408.13	8.86	-31.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020277220	1	53	-1.0	-40.45	408.19	8.88	-31.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020277221	0	50	-1.0	-42.40	380.39	9.47	-32.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020277221	1	50	-1.0	-42.39	380.34	9.45	-32.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020277222	0	49	-1.0	-45.62	409.03	10.92	-34.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020277222	1	49	-1.0	-45.66	408.96	10.91	-34.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020277223	0	54	-1.0	-40.95	398.45	7.47	-33.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020277223	1	54	-1.0	-40.91	398.51	7.49	-33.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020277224	0	51	-1.0	-42.56	385.75	6.63	-35.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020277224	1	51	-1.0	-42.56	385.81	6.65	-35.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020277225	0	51	-1.0	-45.32	397.58	4.86	-40.46
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020277225	1	51	-1.0	-45.34	397.64	4.87	-40.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020277226	0	48	-1.0	-44.34	380.81	3.85	-40.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020277226	1	48	-1.0	-44.37	380.76	3.82	-40.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020277227	0	53	0.0	-65.29	398.99	9.52	-55.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020277227	1	53	0.0	-64.45	401.41	9.42	-55.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020277227	1	53	0.0	-65.27	399.05	9.53	-55.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020277227	1	53	0.0	-64.48	401.47	9.43	-55.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020277228	0	50	0.0	-66.86	373.50	9.31	-57.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020277228	1	50	0.0	-68.24	353.68	7.82	-60.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020277228	1	50	0.0	-66.87	373.45	9.30	-57.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020277228	1	50	0.0	-68.22	353.62	7.80	-60.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020277229	0	59	0.0	-66.80	431.16	10.28	-56.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020277229	1	59	0.0	-67.40	414.23	9.35	-58.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020277229	1	59	0.0	-66.85	431.22	10.29	-56.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020277229	1	59	0.0	-67.42	414.29	9.36	-58.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020277230	0	56	0.0	-68.48	411.09	10.03	-58.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020277230	1	56	0.0	-64.32	403.55	9.65	-54.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020277230	1	56	0.0	-68.48	411.22	10.05	-58.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020277230	1	56	0.0	-64.32	403.63	9.67	-54.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020277231	0	50	-1.0	-40.94	386.31	8.04	-32.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020277231	1	50	-1.0	-40.92	386.37	8.05	-32.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020277232	0	47	-1.0	-43.75	359.30	7.46	-36.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020277232	1	47	-1.0	-43.75	359.24	7.43	-36.32
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020277233	0	54	-1.0	-43.30	407.57	10.19	-33.11
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020277233	1	54	-1.0	-43.28	407.61	10.17	-33.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=C(F)C=CC=C1F	REAL300020277234	0	49	-1.0	-42.93	395.98	9.42	-33.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=C(F)C=CC=C1F	REAL300020277234	1	49	-1.0	-42.97	396.03	9.44	-33.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=C(F)C=CC=C1F	REAL300020277235	0	46	-1.0	-47.10	375.79	8.35	-38.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=C(F)C=CC=C1F	REAL300020277235	1	46	-1.0	-47.12	375.72	8.33	-38.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020277236	0	51	-1.0	-46.25	412.39	11.16	-35.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020277236	1	51	-1.0	-46.26	412.33	11.13	-35.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020277237	0	56	-1.0	-39.27	417.57	10.97	-28.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020277237	1	56	-1.0	-39.29	417.63	10.98	-28.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020277238	0	53	-1.0	-44.95	395.81	10.27	-34.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020277238	1	53	-1.0	-44.92	395.79	10.24	-34.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020277239	0	48	-1.0	-46.35	402.98	10.48	-35.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020277239	1	48	-1.0	-46.40	403.04	10.51	-35.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020277240	0	54	-1.0	-44.82	434.53	11.22	-33.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020277240	1	54	-1.0	-44.89	434.47	11.20	-33.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(CC)C=C2)CC1	REAL300020277241	0	54	-1.0	-42.56	432.06	11.94	-30.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(CC)C=C2)CC1	REAL300020277241	1	54	-1.0	-42.56	432.02	11.93	-30.63
C=CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C)C1CC1	REAL300020277242	0	44	-1.0	-41.32	357.80	7.58	-33.74
C=CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C)C1CC1	REAL300020277242	1	44	-1.0	-41.36	357.86	7.59	-33.77
C=CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C)C1CC1	REAL300020277243	0	41	-1.0	-44.64	332.17	7.40	-37.24
C=CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C)C1CC1	REAL300020277243	1	41	-1.0	-44.59	332.07	7.38	-37.21
C=CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C)C1CC1	REAL300020277244	0	48	-1.0	-42.73	385.69	9.66	-33.07
C=CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C)C1CC1	REAL300020277244	1	48	-1.0	-42.68	385.72	9.65	-33.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020277245	0	53	-1.0	-44.18	416.17	10.86	-33.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020277245	1	53	-1.0	-44.24	416.23	10.89	-33.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020277246	0	49	-1.0	-42.29	410.95	8.10	-34.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020277246	1	49	-1.0	-42.31	411.01	8.13	-34.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020277247	0	49	-1.0	-42.29	410.95	8.10	-34.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020277247	1	49	-1.0	-42.31	411.01	8.13	-34.18
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020277248	0	51	-1.0	-42.37	422.66	10.70	-31.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020277248	1	51	-1.0	-42.38	422.72	10.72	-31.66
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020277249	0	48	-1.0	-46.66	404.92	10.81	-35.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020277249	1	48	-1.0	-46.61	404.85	10.79	-35.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020277250	0	54	-1.0	-45.80	433.71	8.25	-37.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020277250	1	54	-1.0	-45.75	433.77	8.27	-37.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020277251	0	51	-1.0	-46.47	416.99	7.64	-38.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020277251	1	51	-1.0	-46.41	416.93	7.61	-38.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(COC)C1	REAL300020277252	0	53	-1.0	-39.30	411.74	7.60	-31.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(COC)C1	REAL300020277252	1	53	-1.0	-39.36	411.80	7.62	-31.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(COC)C1	REAL300020277253	0	50	-1.0	-45.12	379.62	7.66	-37.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(COC)C1	REAL300020277253	1	50	-1.0	-45.10	379.56	7.64	-37.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1CC	REAL300020277254	0	49	-1.0	-39.70	379.40	7.39	-32.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1CC	REAL300020277254	1	49	-1.0	-39.70	379.46	7.41	-32.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1CC	REAL300020277255	0	46	-1.0	-42.57	356.44	6.57	-36.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1CC	REAL300020277255	1	46	-1.0	-42.54	356.37	6.56	-35.98
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1CC	REAL300020277256	0	53	-1.0	-41.86	404.85	9.31	-32.55
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1CC	REAL300020277256	1	53	-1.0	-41.82	404.89	9.30	-32.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(COC)CC1	REAL300020277257	0	48	-1.0	-42.37	384.65	6.39	-35.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(COC)CC1	REAL300020277257	1	48	-1.0	-42.41	384.69	6.40	-36.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(COC)CC1	REAL300020277258	0	45	-1.0	-43.01	359.26	6.80	-36.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(COC)CC1	REAL300020277258	1	45	-1.0	-43.01	359.22	6.79	-36.22
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(COC)CC1	REAL300020277259	0	52	-1.0	-42.88	405.69	8.87	-34.01
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(COC)CC1	REAL300020277259	1	52	-1.0	-42.91	405.71	8.86	-34.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1C	REAL300020277260	0	49	-1.0	-40.66	378.62	8.40	-32.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1C	REAL300020277260	1	49	-1.0	-40.65	378.69	8.42	-32.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1C	REAL300020277261	0	46	-1.0	-44.50	353.24	8.05	-36.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1C	REAL300020277261	1	46	-1.0	-44.45	353.19	8.04	-36.41
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)C1C	REAL300020277262	0	53	-1.0	-42.26	409.49	10.55	-31.71
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)C1C	REAL300020277262	1	53	-1.0	-42.29	409.50	10.54	-31.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020277263	0	53	-1.0	-42.70	414.55	9.80	-32.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020277263	1	53	-1.0	-42.71	414.61	9.82	-32.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020277264	0	50	-1.0	-42.85	393.71	10.24	-32.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020277264	1	50	-1.0	-42.84	393.67	10.23	-32.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020277265	0	56	-1.0	-41.28	432.41	11.63	-29.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020277265	1	56	-1.0	-41.30	432.47	11.65	-29.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020277266	0	53	-1.0	-43.90	401.90	11.31	-32.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020277266	1	53	-1.0	-43.88	401.85	11.28	-32.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020277267	0	54	-1.0	-39.62	420.72	8.41	-31.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020277267	1	54	-1.0	-39.60	420.76	8.42	-31.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020277268	0	51	-1.0	-47.45	409.97	9.58	-37.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020277268	1	51	-1.0	-47.48	409.92	9.56	-37.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020277269	0	56	-1.0	-42.57	428.29	10.50	-32.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020277269	1	56	-1.0	-42.54	428.35	10.51	-32.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020277270	0	53	-1.0	-47.51	386.87	9.13	-38.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020277270	1	53	-1.0	-47.50	386.81	9.13	-38.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCSC	REAL300020277271	0	46	-1.0	-40.41	384.07	8.11	-32.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCSC	REAL300020277271	1	46	-1.0	-40.42	384.13	8.12	-32.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCSC	REAL300020277272	0	43	-1.0	-41.80	367.12	7.21	-34.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCSC	REAL300020277272	1	43	-1.0	-41.77	367.07	7.19	-34.58
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCSC	REAL300020277273	0	50	-1.0	-42.13	410.18	10.03	-32.10
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCSC	REAL300020277273	1	50	-1.0	-42.05	410.25	10.03	-32.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020277274	0	56	-1.0	-44.06	436.16	10.69	-33.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020277274	1	56	-1.0	-44.04	436.10	10.66	-33.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C#N)C=C1	REAL300020277275	0	51	-1.0	-44.85	415.25	8.33	-36.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C#N)C=C1	REAL300020277275	1	51	-1.0	-44.87	415.19	8.31	-36.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020277276	0	50	-1.0	-46.10	401.42	6.94	-39.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020277276	1	50	-1.0	-46.10	401.36	6.93	-39.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020277277	0	52	-1.0	-40.99	405.69	8.18	-32.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020277277	1	52	-1.0	-41.00	405.74	8.19	-32.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020277278	0	49	-1.0	-43.20	391.03	7.61	-35.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020277278	1	49	-1.0	-43.20	390.97	7.58	-35.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020277279	0	50	-1.0	-39.41	392.21	9.88	-29.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020277279	1	50	-1.0	-39.44	392.26	9.89	-29.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020277280	0	47	-1.0	-43.04	373.27	9.32	-33.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020277280	1	47	-1.0	-43.01	373.20	9.28	-33.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020277281	0	44	-1.0	-41.39	340.32	5.04	-36.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020277281	1	44	-1.0	-41.40	340.38	5.06	-36.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020277282	0	41	-1.0	-44.01	324.37	4.45	-39.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020277282	1	41	-1.0	-44.01	324.30	4.42	-39.59
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020277283	0	48	-1.0	-42.56	374.64	7.19	-35.37
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020277283	1	48	-1.0	-42.55	374.68	7.18	-35.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC#N	REAL300020277284	0	43	-1.0	-45.93	349.83	7.26	-38.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC#N	REAL300020277284	1	43	-1.0	-45.92	349.88	7.27	-38.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC#N	REAL300020277285	0	40	-1.0	-46.17	328.25	6.30	-39.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC#N	REAL300020277285	1	40	-1.0	-46.16	328.19	6.28	-39.88
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020277286	0	47	-1.0	-47.68	377.13	9.17	-38.51
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020277286	1	47	-1.0	-47.60	377.18	9.17	-38.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020277287	0	47	-1.0	-46.90	392.17	8.85	-38.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020277287	1	47	-1.0	-46.92	392.23	8.87	-38.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020277288	0	44	-1.0	-45.55	361.41	7.63	-37.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020277288	1	44	-1.0	-45.50	361.35	7.64	-37.86
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020277289	0	51	-1.0	-48.03	423.72	10.86	-37.17
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020277289	1	51	-1.0	-48.08	423.79	10.85	-37.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CCOC	REAL300020277290	0	47	-1.0	-41.15	386.35	6.09	-35.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CCOC	REAL300020277290	1	47	-1.0	-41.20	386.41	6.10	-35.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CCOC	REAL300020277291	0	44	-1.0	-42.79	360.47	5.99	-36.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CCOC	REAL300020277291	1	44	-1.0	-42.80	360.42	5.97	-36.83
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CCOC	REAL300020277292	0	51	-1.0	-43.33	418.74	8.11	-35.22
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CCOC	REAL300020277292	1	51	-1.0	-43.35	418.83	8.10	-35.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CCC(C)C	REAL300020277293	0	52	-1.0	-43.52	421.69	8.83	-34.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CCC(C)C	REAL300020277293	1	52	-1.0	-43.54	421.75	8.84	-34.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CCC(C)C	REAL300020277294	0	49	-1.0	-43.11	395.54	7.73	-35.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CCC(C)C	REAL300020277294	1	49	-1.0	-43.06	395.45	7.71	-35.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020277295	0	44	-1.0	-42.89	341.99	3.22	-39.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020277295	1	44	-1.0	-42.90	342.05	3.23	-39.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020277296	0	41	-1.0	-43.33	326.74	3.52	-39.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020277296	1	41	-1.0	-43.35	326.68	3.49	-39.86
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020277297	0	48	-1.0	-44.37	378.47	5.38	-38.99
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020277297	1	48	-1.0	-44.36	378.55	5.37	-38.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020277298	0	56	-1.0	-42.09	435.51	8.93	-33.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020277298	1	56	-1.0	-42.10	435.57	8.95	-33.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020277299	0	53	-1.0	-42.86	415.05	8.90	-33.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020277299	1	53	-1.0	-42.86	414.99	8.87	-33.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020277300	0	50	-1.0	-42.28	396.27	9.15	-33.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020277300	1	50	-1.0	-42.23	396.33	9.16	-33.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020277301	0	47	-1.0	-42.87	370.05	9.81	-33.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020277301	1	47	-1.0	-42.86	370.01	9.78	-33.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020277302	0	46	-1.0	-39.99	375.39	8.45	-31.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020277302	1	46	-1.0	-40.00	375.45	8.46	-31.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020277303	0	43	-1.0	-42.29	352.12	8.04	-34.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020277303	1	43	-1.0	-42.28	352.07	8.03	-34.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC1	REAL300020277304	0	41	-1.0	-39.53	338.07	7.64	-31.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC1	REAL300020277304	1	41	-1.0	-39.51	338.13	7.66	-31.85
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC1	REAL300020277305	0	45	-1.0	-41.08	368.57	9.37	-31.71
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC1	REAL300020277305	1	45	-1.0	-41.06	368.63	9.37	-31.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020277306	0	54	-1.0	-41.95	430.64	7.95	-34.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020277306	1	54	-1.0	-41.93	430.70	7.96	-33.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020277307	0	51	-1.0	-44.71	402.24	8.32	-36.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020277307	1	51	-1.0	-44.72	402.26	8.33	-36.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1	REAL300020277308	0	52	-1.0	-43.74	420.29	9.51	-34.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1	REAL300020277308	1	52	-1.0	-43.76	420.35	9.53	-34.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1	REAL300020277309	0	49	-1.0	-48.35	399.07	8.62	-39.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1	REAL300020277309	1	49	-1.0	-48.33	399.03	8.60	-39.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC2=CC=CC=C2C=C1	REAL300020277310	0	52	-1.0	-45.02	412.40	11.08	-33.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC2=CC=CC=C2C=C1	REAL300020277310	1	52	-1.0	-45.05	412.33	11.07	-33.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(OC)C=C1OC	REAL300020277311	0	54	-1.0	-46.03	428.44	8.41	-37.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(OC)C=C1OC	REAL300020277311	1	54	-1.0	-46.00	428.16	8.40	-37.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)CC	REAL300020277312	0	54	-1.0	-40.30	406.75	9.42	-30.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)CC	REAL300020277312	1	54	-1.0	-40.26	406.80	9.44	-30.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)CC	REAL300020277313	0	51	-1.0	-45.06	379.21	9.01	-36.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)CC	REAL300020277313	1	51	-1.0	-45.07	379.15	8.99	-36.08
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C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(CC)CC	REAL300020277314	1	58	-1.0	-41.91	439.74	11.51	-30.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CC1	REAL300020277315	0	52	-1.0	-39.30	413.41	9.64	-29.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CC1	REAL300020277315	1	52	-1.0	-39.30	413.47	9.66	-29.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CC1	REAL300020277316	0	49	-1.0	-41.69	391.66	8.90	-32.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CC1	REAL300020277316	1	49	-1.0	-41.65	391.57	8.87	-32.78
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C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020277329	0	55	-1.0	-45.18	433.72	10.62	-34.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020277329	1	55	-1.0	-45.19	433.65	10.59	-34.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC(C)C	REAL300020277330	0	55	-1.0	-45.08	434.11	9.96	-35.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC(C)C	REAL300020277330	1	55	-1.0	-45.05	434.17	9.97	-35.08
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C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020277332	1	55	-1.0	-40.33	433.90	11.04	-29.29
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C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020277333	1	52	-1.0	-42.23	414.33	10.36	-31.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020277334	0	53	-1.0	-45.57	413.53	9.69	-35.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020277334	1	53	-1.0	-45.58	413.47	9.68	-35.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020277335	0	58	-1.0	-39.65	430.18	10.44	-29.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020277335	1	58	-1.0	-39.64	430.24	10.45	-29.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020277336	0	55	-1.0	-42.41	415.31	8.97	-33.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020277336	1	55	-1.0	-42.42	415.26	8.94	-33.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC1=CC=CS1	REAL300020277337	0	49	-1.0	-41.60	405.49	8.96	-32.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC1=CC=CS1	REAL300020277337	1	49	-1.0	-41.58	405.55	8.98	-32.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC1=CC=CS1	REAL300020277338	0	46	-1.0	-44.90	379.33	8.77	-36.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC1=CC=CS1	REAL300020277338	1	46	-1.0	-44.90	379.30	8.75	-36.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020277339	0	54	-1.0	-41.49	432.69	5.77	-35.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020277339	1	54	-1.0	-41.48	432.75	5.78	-35.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020277340	0	51	-1.0	-44.16	407.26	4.78	-39.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020277340	1	51	-1.0	-44.16	407.21	4.75	-39.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC1C	REAL300020277341	0	44	-1.0	-40.89	345.50	5.35	-35.54
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C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1CC	REAL300020277348	0	47	-1.0	-45.26	376.91	7.92	-37.34
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C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CCC	REAL300020277354	1	52	-1.0	-41.82	398.83	10.36	-31.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020277355	0	48	-1.0	-41.67	395.33	6.90	-34.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020277355	1	48	-1.0	-41.71	395.39	6.91	-34.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020277356	0	45	-1.0	-46.53	367.40	5.62	-40.91
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C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020277358	0	44	-1.0	-43.62	357.38	6.01	-37.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020277358	1	44	-1.0	-43.63	357.33	5.99	-37.64
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C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C)C1CCC2=CC=CC=C21	REAL300020277360	0	49	-1.0	-44.03	383.84	10.19	-33.84
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C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC1=CC=CC=C1	REAL300020277361	0	52	-1.0	-42.10	416.22	9.85	-32.25
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC1=CC=CC=C1	REAL300020277361	1	52	-1.0	-42.12	416.27	9.86	-32.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC1=CC=CC=C1	REAL300020277362	0	49	-1.0	-45.47	386.27	10.15	-35.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC1=CC=CC=C1	REAL300020277362	1	49	-1.0	-45.50	386.22	10.14	-35.36
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C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020277367	0	53	-1.0	-48.71	400.46	9.16	-39.55
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C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020277369	1	53	-1.0	-42.79	403.11	10.61	-32.18
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020277370	0	58	0.0	-64.57	437.71	9.53	-55.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020277370	1	58	0.0	-64.59	437.77	9.55	-55.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020277371	0	55	0.0	-64.04	411.40	8.90	-55.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020277371	1	55	0.0	-64.06	411.46	8.93	-55.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020277372	0	62	0.0	-67.87	439.30	11.21	-56.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020277372	1	62	0.0	-70.30	441.95	11.63	-58.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020277372	1	62	0.0	-67.93	439.34	11.23	-56.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020277372	1	62	0.0	-70.32	442.00	11.64	-58.68
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C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020277375	0	50	-1.0	-41.58	388.60	9.14	-32.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020277375	1	50	-1.0	-41.58	388.66	9.16	-32.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020277376	0	47	-1.0	-46.91	377.72	8.12	-38.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020277376	1	47	-1.0	-46.89	377.67	8.10	-38.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCOC)CCOC	REAL300020277377	0	53	-1.0	-43.00	415.30	4.85	-38.15
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C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCCOC)CCOC	REAL300020277378	0	50	-1.0	-44.90	397.47	4.23	-40.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCCOC)CCOC	REAL300020277378	1	50	-1.0	-44.94	397.41	4.20	-40.74
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020277379	0	58	-1.0	-39.51	404.95	10.89	-28.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020277379	1	58	-1.0	-39.49	405.00	10.91	-28.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020277380	0	55	-1.0	-41.49	385.47	9.06	-32.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020277380	1	55	-1.0	-41.52	385.53	9.09	-32.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020277381	0	56	-1.0	-39.53	440.86	11.14	-28.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020277381	1	56	-1.0	-39.49	440.92	11.15	-28.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020277382	0	53	-1.0	-42.64	407.83	11.19	-31.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020277382	1	53	-1.0	-42.66	407.77	11.16	-31.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020277383	0	50	-1.0	-40.05	389.62	6.88	-33.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020277383	1	50	-1.0	-40.05	389.67	6.90	-33.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020277384	0	47	-1.0	-43.45	359.60	6.41	-37.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020277384	1	47	-1.0	-43.43	359.58	6.40	-37.03
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020277385	0	54	-1.0	-42.08	410.37	8.81	-33.27
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020277385	1	54	-1.0	-42.06	410.39	8.80	-33.26
C=CCC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CCCC1(C)C	REAL300020277386	0	56	-1.0	-40.41	413.45	8.59	-31.82
C=CCC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CCCC1(C)C	REAL300020277386	1	56	-1.0	-40.37	413.51	8.61	-31.76
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C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020277388	1	52	-1.0	-55.20	407.51	5.77	-49.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020277389	0	49	-1.0	-60.46	389.05	5.00	-55.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020277389	1	49	-1.0	-60.51	389.09	5.01	-55.50
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C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C)C1	REAL300020277390	1	44	-1.0	-40.29	341.75	7.42	-32.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C)C1	REAL300020277391	0	41	-1.0	-42.49	331.28	6.92	-35.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C)C1	REAL300020277391	1	41	-1.0	-42.47	331.22	6.89	-35.58
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC=C(C)C1	REAL300020277392	0	48	-1.0	-41.86	373.58	9.52	-32.34
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC=C(C)C1	REAL300020277392	1	48	-1.0	-41.87	373.61	9.51	-32.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020277393	0	41	-1.0	-39.60	360.12	7.76	-31.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020277393	1	41	-1.0	-39.61	360.18	7.77	-31.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020277394	0	38	-1.0	-42.55	329.42	6.83	-35.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020277394	1	38	-1.0	-42.53	329.36	6.80	-35.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020277395	0	53	-1.0	-40.10	383.87	7.23	-32.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020277395	1	53	-1.0	-40.13	383.93	7.24	-32.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020277396	0	50	-1.0	-42.21	371.85	7.69	-34.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020277396	1	50	-1.0	-42.20	371.80	7.68	-34.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020277397	0	53	-1.0	-41.12	405.84	9.29	-31.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020277397	1	53	-1.0	-41.12	405.89	9.31	-31.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020277398	0	50	-1.0	-43.97	384.50	9.22	-34.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020277398	1	50	-1.0	-43.94	384.44	9.21	-34.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020277399	0	44	-1.0	-39.62	376.28	8.48	-31.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020277399	1	44	-1.0	-39.60	376.33	8.50	-31.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020277400	0	41	-1.0	-41.37	345.41	8.26	-33.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020277400	1	41	-1.0	-41.39	345.46	8.28	-33.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020277401	0	44	-1.0	-42.16	365.21	5.97	-36.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020277401	1	44	-1.0	-42.23	365.27	5.99	-36.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020277402	0	41	-1.0	-43.90	343.71	5.19	-38.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020277402	1	41	-1.0	-43.91	343.77	5.21	-38.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020277403	0	47	-1.0	-42.26	375.92	8.62	-33.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020277403	1	47	-1.0	-42.29	375.98	8.63	-33.66
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020277404	0	44	-1.0	-43.64	356.30	8.49	-35.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020277404	1	44	-1.0	-43.62	356.24	8.45	-35.17
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020277405	0	51	-1.0	-41.17	417.29	11.61	-29.56
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020277405	1	51	-1.0	-41.13	417.33	11.60	-29.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020277406	0	56	-1.0	-41.39	414.04	9.94	-31.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020277406	1	56	-1.0	-41.38	414.10	9.96	-31.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020277407	0	53	-1.0	-45.62	388.81	8.93	-36.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020277407	1	53	-1.0	-45.58	388.74	8.91	-36.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020277408	0	46	-1.0	-52.47	382.40	3.92	-48.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020277408	1	46	-1.0	-52.49	382.46	3.94	-48.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020277409	0	43	-1.0	-49.00	357.77	3.11	-45.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020277409	1	43	-1.0	-48.96	357.72	3.08	-45.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020277410	0	53	-1.0	-42.26	427.79	5.39	-36.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020277410	1	53	-1.0	-42.23	427.84	5.40	-36.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020277411	0	50	-1.0	-46.48	392.84	5.12	-41.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020277411	1	50	-1.0	-46.51	392.86	5.14	-41.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CCC	REAL300020277412	0	48	-1.0	-40.45	362.86	6.89	-33.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CCC	REAL300020277412	1	48	-1.0	-40.44	362.96	6.91	-33.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CCC	REAL300020277413	0	45	-1.0	-43.82	366.07	7.29	-36.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CCC	REAL300020277413	1	45	-1.0	-43.82	366.01	7.26	-36.56
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC)CCC	REAL300020277414	0	52	-1.0	-42.36	402.57	9.37	-32.99
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC)CCC	REAL300020277414	1	52	-1.0	-42.38	402.61	9.36	-33.02
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277415	0	44	-1.0	-39.94	367.35	7.78	-32.16
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277415	1	44	-1.0	-39.92	367.29	7.77	-32.15
C=CCN(CC=C)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277416	0	41	-1.0	-41.31	345.04	7.25	-34.06
C=CCN(CC=C)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277416	1	41	-1.0	-41.38	344.98	7.23	-34.15
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020277417	0	48	-1.0	-41.13	390.50	9.85	-31.28
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020277417	1	48	-1.0	-41.11	390.52	9.83	-31.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CCOC	REAL300020277418	0	50	-1.0	-43.42	393.87	4.01	-39.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CCOC	REAL300020277418	1	50	-1.0	-43.42	393.95	4.03	-39.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CCOC	REAL300020277419	0	47	-1.0	-46.02	375.98	3.51	-42.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CCOC	REAL300020277419	1	47	-1.0	-46.01	375.92	3.49	-42.52
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)CCOC	REAL300020277420	0	54	-1.0	-41.09	433.36	6.61	-34.48
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)CCOC	REAL300020277420	1	54	-1.0	-41.09	433.40	6.60	-34.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020277421	0	50	-1.0	-40.87	394.36	6.42	-34.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020277421	1	50	-1.0	-40.83	394.42	6.43	-34.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020277422	0	47	-1.0	-44.95	375.19	5.44	-39.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020277422	1	47	-1.0	-44.93	375.12	5.43	-39.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCCCC1	REAL300020277423	0	52	-1.0	-41.30	397.42	7.92	-33.38
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCCCC1	REAL300020277423	1	52	-1.0	-41.32	397.47	7.94	-33.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCCCC1	REAL300020277424	0	49	-1.0	-44.02	376.90	6.95	-37.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCCCC1	REAL300020277424	1	49	-1.0	-43.97	376.84	6.92	-37.05
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CCCCC1	REAL300020277425	0	56	-1.0	-41.88	423.53	9.45	-32.43
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CCCCC1	REAL300020277425	1	56	-1.0	-41.83	423.54	9.44	-32.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020277426	0	49	-1.0	-40.11	389.87	10.22	-29.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020277426	1	49	-1.0	-40.07	389.94	10.22	-29.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020277427	0	46	-1.0	-42.62	380.76	8.65	-33.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020277427	1	46	-1.0	-42.61	380.70	8.63	-33.98
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020277428	0	49	-1.0	-39.24	359.36	9.02	-30.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020277428	1	49	-1.0	-39.25	359.42	9.03	-30.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020277429	0	46	-1.0	-41.56	343.68	8.43	-33.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020277429	1	46	-1.0	-41.51	343.62	8.40	-33.11
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCC1	REAL300020277430	0	53	-1.0	-40.64	399.85	11.33	-29.31
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCC1	REAL300020277430	1	53	-1.0	-40.61	399.92	11.33	-29.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCCC	REAL300020277431	0	48	-1.0	-39.81	377.77	7.50	-32.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCCC	REAL300020277431	1	48	-1.0	-39.74	377.83	7.52	-32.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCCC	REAL300020277432	0	45	-1.0	-43.89	351.18	7.41	-36.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCCC	REAL300020277432	1	45	-1.0	-43.87	351.11	7.40	-36.47
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCCC	REAL300020277433	0	52	-1.0	-41.63	410.20	9.57	-32.06
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCCC	REAL300020277433	1	52	-1.0	-41.65	410.23	9.54	-32.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1CC1	REAL300020277434	0	49	-1.0	-41.32	363.50	7.75	-33.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1CC1	REAL300020277434	1	49	-1.0	-41.35	363.55	7.77	-33.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1CC1	REAL300020277435	0	46	-1.0	-42.82	375.06	8.00	-34.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1CC1	REAL300020277435	1	46	-1.0	-42.79	375.00	7.97	-34.82
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC)CC1CC1	REAL300020277436	0	53	-1.0	-41.63	419.73	10.43	-31.20
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC)CC1CC1	REAL300020277436	1	53	-1.0	-41.67	419.80	10.42	-31.25
C=C(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277437	0	46	-1.0	-39.39	369.60	7.34	-32.05
C=C(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277437	1	46	-1.0	-39.36	369.66	7.35	-32.01
C=C(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277438	0	43	-1.0	-43.38	343.01	6.76	-36.62
C=C(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277438	1	43	-1.0	-43.34	342.94	6.75	-36.59
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020277439	0	50	-1.0	-41.22	401.25	9.23	-31.99
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020277439	1	50	-1.0	-41.21	401.26	9.21	-32.00
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020277440	0	53	-1.0	-40.65	416.65	8.81	-31.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020277440	1	53	-1.0	-40.68	416.71	8.83	-31.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020277441	0	50	-1.0	-44.62	397.44	7.84	-36.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020277441	1	50	-1.0	-44.61	397.38	7.82	-36.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020277442	0	50	-1.0	-44.40	411.02	9.88	-34.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020277442	1	50	-1.0	-44.44	410.97	9.85	-34.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020277443	0	54	-1.0	-43.86	416.51	8.15	-35.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020277443	1	54	-1.0	-43.88	416.58	8.16	-35.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020277444	0	51	-1.0	-45.27	400.73	7.83	-37.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020277444	1	51	-1.0	-45.26	400.67	7.80	-37.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020277445	0	50	-1.0	-42.58	411.69	8.25	-34.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020277445	1	50	-1.0	-42.62	411.74	8.27	-34.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020277446	0	47	-1.0	-45.25	393.54	8.18	-37.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020277446	1	47	-1.0	-45.16	393.48	8.15	-37.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)S1	REAL300020277447	0	46	-1.0	-39.40	404.34	9.45	-29.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)S1	REAL300020277447	1	46	-1.0	-39.41	404.39	9.46	-29.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)S1	REAL300020277448	0	43	-1.0	-40.28	384.25	8.51	-31.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)S1	REAL300020277448	1	43	-1.0	-40.24	384.20	8.48	-31.76
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277449	0	44	-1.0	-43.39	391.04	8.95	-34.44
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277449	1	44	-1.0	-43.33	390.97	8.93	-34.40
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277450	0	47	-1.0	-39.79	404.32	9.38	-30.41
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277450	1	47	-1.0	-39.79	404.39	9.40	-30.39
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277451	0	44	-1.0	-40.65	378.28	8.15	-32.50
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277451	1	44	-1.0	-40.65	378.21	8.13	-32.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C2OCOC2=C1	REAL300020277452	0	52	-1.0	-42.42	421.99	8.18	-34.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C2OCOC2=C1	REAL300020277452	1	52	-1.0	-42.41	422.05	8.19	-34.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C2OCOC2=C1	REAL300020277453	0	49	-1.0	-46.45	393.78	7.17	-39.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C2OCOC2=C1	REAL300020277453	1	49	-1.0	-46.47	393.72	7.15	-39.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020277454	0	55	-1.0	-42.91	423.20	11.11	-31.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020277454	1	55	-1.0	-42.91	423.25	11.12	-31.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020277455	0	52	-1.0	-41.74	407.63	10.29	-31.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020277455	1	52	-1.0	-41.77	407.57	10.27	-31.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C(C)C)C=C1	REAL300020277456	0	56	-1.0	-39.93	429.85	10.52	-29.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C(C)C)C=C1	REAL300020277456	1	56	-1.0	-39.95	429.76	10.51	-29.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020277457	0	47	-1.0	-39.72	385.53	9.78	-29.94
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020277457	1	47	-1.0	-39.74	385.59	9.79	-29.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020277458	0	44	-1.0	-42.34	364.80	9.45	-32.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020277458	1	44	-1.0	-42.33	364.75	9.44	-32.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCS(C)(=O)=O	REAL300020277459	0	48	-1.0	-54.84	398.45	3.60	-51.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCS(C)(=O)=O	REAL300020277459	1	48	-1.0	-54.83	398.50	3.61	-51.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCS(C)(=O)=O	REAL300020277460	0	45	-1.0	-59.60	372.88	3.14	-56.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCS(C)(=O)=O	REAL300020277460	1	45	-1.0	-59.61	372.82	3.12	-56.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020277461	0	49	-1.0	-52.74	416.05	5.16	-47.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020277461	1	49	-1.0	-52.74	416.11	5.19	-47.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020277462	0	46	-1.0	-58.33	385.93	3.75	-54.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020277462	1	46	-1.0	-58.39	385.99	3.77	-54.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC1CC1	REAL300020277463	0	49	-1.0	-41.75	382.51	8.09	-33.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC1CC1	REAL300020277463	1	49	-1.0	-41.75	382.56	8.11	-33.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC1CC1	REAL300020277464	0	46	-1.0	-42.82	367.02	7.53	-35.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC1CC1	REAL300020277464	1	46	-1.0	-42.82	366.97	7.50	-35.32
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCC1CC1	REAL300020277465	0	53	-1.0	-42.32	412.68	10.19	-32.13
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCC1CC1	REAL300020277465	1	53	-1.0	-42.38	412.73	10.18	-32.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020277466	0	47	-1.0	-39.91	401.07	10.37	-29.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020277466	1	47	-1.0	-39.89	401.13	10.38	-29.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020277467	0	44	-1.0	-43.47	373.11	8.98	-34.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020277467	1	44	-1.0	-43.49	373.05	8.95	-34.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020277468	0	47	-1.0	-38.55	396.23	9.85	-28.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020277468	1	47	-1.0	-38.56	396.29	9.86	-28.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020277469	0	44	-1.0	-44.87	361.89	8.02	-36.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020277469	1	44	-1.0	-44.88	361.83	7.99	-36.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020277470	0	52	-1.0	-48.35	421.06	10.65	-37.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020277470	1	52	-1.0	-48.35	421.01	10.64	-37.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020277471	0	49	-1.0	-52.10	399.49	9.87	-42.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020277471	1	49	-1.0	-52.08	399.44	9.85	-42.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSC	REAL300020277472	0	49	-1.0	-40.20	394.53	8.89	-31.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSC	REAL300020277472	1	49	-1.0	-40.25	394.58	8.90	-31.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSC	REAL300020277473	0	46	-1.0	-42.25	375.85	8.23	-34.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSC	REAL300020277473	1	46	-1.0	-42.26	375.80	8.21	-34.05
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CCSC	REAL300020277474	0	53	-1.0	-41.78	421.37	10.82	-30.96
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CCSC	REAL300020277474	1	53	-1.0	-41.78	421.39	10.81	-30.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020277475	0	42	-1.0	-41.71	349.15	6.44	-35.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020277475	1	42	-1.0	-41.70	349.21	6.44	-35.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020277476	0	39	-1.0	-47.80	329.19	5.92	-41.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020277476	1	39	-1.0	-47.84	329.13	5.89	-41.95
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NOC=C1	REAL300020277477	0	46	-1.0	-45.09	386.13	8.45	-36.64
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NOC=C1	REAL300020277477	1	46	-1.0	-45.06	386.20	8.43	-36.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020277478	0	53	-1.0	-41.78	407.52	9.75	-32.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020277478	1	53	-1.0	-41.79	407.56	9.77	-32.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020277479	0	50	-1.0	-44.48	410.24	10.05	-34.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020277479	1	50	-1.0	-44.48	410.17	10.02	-34.46
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020277480	0	55	0.0	-66.52	390.35	9.24	-57.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020277480	1	55	0.0	-65.04	405.74	9.08	-55.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020277480	1	55	0.0	-66.50	390.29	9.23	-57.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020277480	1	55	0.0	-65.04	405.68	9.06	-55.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020277481	0	52	0.0	-67.98	371.66	6.43	-61.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020277481	1	52	0.0	-68.65	366.70	8.66	-59.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020277481	1	52	0.0	-67.96	371.61	6.40	-61.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020277481	1	52	0.0	-68.61	366.66	8.65	-59.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020277482	0	56	-1.0	-41.83	436.23	11.38	-30.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020277482	1	56	-1.0	-41.77	436.29	11.39	-30.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020277483	0	53	-1.0	-44.65	410.45	11.27	-33.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020277483	1	53	-1.0	-44.63	410.39	11.25	-33.38
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277484	0	53	-1.0	-39.99	413.82	10.20	-29.79
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277484	1	53	-1.0	-40.01	413.87	10.22	-29.79
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277485	0	50	-1.0	-43.22	396.34	9.22	-34.00
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277485	1	50	-1.0	-43.23	396.29	9.21	-34.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020277486	0	56	-1.0	-43.64	430.30	8.36	-35.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020277486	1	56	-1.0	-43.61	430.35	8.38	-35.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020277487	0	53	-1.0	-47.99	408.79	7.87	-40.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020277487	1	53	-1.0	-47.94	408.74	7.85	-40.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020277488	0	56	-1.0	-40.96	436.85	8.80	-32.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020277488	1	56	-1.0	-40.99	436.90	8.82	-32.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020277489	0	53	-1.0	-42.73	412.74	7.98	-34.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020277489	1	53	-1.0	-42.78	412.80	8.01	-34.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020277490	0	56	-1.0	-39.68	447.51	11.38	-28.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020277490	1	56	-1.0	-39.69	447.57	11.39	-28.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020277491	0	53	-1.0	-42.21	431.29	11.00	-31.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020277491	1	53	-1.0	-42.17	431.23	10.97	-31.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C	REAL300020277492	0	46	-1.0	-41.66	347.09	7.00	-34.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C	REAL300020277492	1	46	-1.0	-41.70	347.15	7.02	-34.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C	REAL300020277493	0	43	-1.0	-45.62	320.81	6.12	-39.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C	REAL300020277493	1	43	-1.0	-45.64	320.75	6.10	-39.54
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020277494	0	50	-1.0	-44.34	368.41	8.84	-35.50
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020277494	1	50	-1.0	-42.75	377.35	8.95	-33.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)C1CC(OCC)C1(C)C	REAL300020277495	0	59	-1.0	-48.75	442.35	7.72	-41.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)C1CC(OCC)C1(C)C	REAL300020277495	1	59	-1.0	-48.68	442.40	7.74	-40.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020277496	0	50	-1.0	-40.16	392.94	10.14	-30.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020277496	1	50	-1.0	-40.16	393.00	10.15	-30.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020277497	0	47	-1.0	-42.16	388.63	9.51	-32.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020277497	1	47	-1.0	-42.13	388.57	9.49	-32.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=C(C)N=C(CC)S1	REAL300020277498	0	51	-1.0	-42.85	417.36	8.19	-34.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=C(C)N=C(CC)S1	REAL300020277498	1	51	-1.0	-42.84	417.30	8.16	-34.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020277499	0	56	-1.0	-42.68	429.53	11.90	-30.78
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020277499	1	56	-1.0	-42.64	429.59	11.92	-30.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020277500	0	53	-1.0	-44.70	411.88	11.28	-33.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020277500	1	53	-1.0	-44.69	411.82	11.25	-33.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020277501	0	56	-1.0	-45.09	427.26	5.95	-39.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020277501	1	57	0.0	-70.20	422.35	8.48	-61.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020277501	1	56	-1.0	-45.10	427.31	5.97	-39.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020277502	0	54	-1.0	-44.81	420.56	8.19	-36.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020277502	1	54	-1.0	-44.76	420.59	8.21	-36.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020277503	0	44	-1.0	-42.52	360.19	7.79	-34.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020277503	1	44	-1.0	-42.52	360.22	7.80	-34.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020277504	0	41	-1.0	-42.22	343.98	8.19	-34.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020277504	1	41	-1.0	-42.26	343.93	8.17	-34.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020277505	0	47	-1.0	-44.08	348.09	3.73	-40.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020277505	1	47	-1.0	-44.11	348.16	3.75	-40.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020277506	0	44	-1.0	-45.49	326.99	3.39	-42.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020277506	1	44	-1.0	-45.49	326.94	3.38	-42.11
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020277507	0	51	-1.0	-45.22	412.68	6.85	-38.37
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020277507	1	51	-1.0	-44.58	411.13	7.02	-37.56
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(O)C1=CC=C(C)C=C1	REAL300020277508	0	56	-1.0	-41.35	449.55	7.76	-33.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(O)C1=CC=C(C)C=C1	REAL300020277508	1	56	-1.0	-41.33	449.61	7.77	-33.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(O)C1=CC=C(C)C=C1	REAL300020277509	0	53	-1.0	-44.49	430.05	7.04	-37.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(O)C1=CC=C(C)C=C1	REAL300020277509	1	53	-1.0	-44.49	429.99	7.01	-37.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020277510	0	57	0.0	-69.60	410.56	8.48	-61.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020277510	1	57	0.0	-71.27	404.11	5.86	-65.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020277510	1	57	0.0	-69.65	410.61	8.50	-61.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020277510	1	57	0.0	-71.28	404.17	5.88	-65.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020277511	0	51	-1.0	-39.66	404.39	10.68	-28.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020277511	1	51	-1.0	-39.72	404.45	10.70	-29.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020277512	0	48	-1.0	-43.24	382.92	10.22	-33.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020277512	1	48	-1.0	-43.21	382.87	10.20	-33.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020277513	0	50	-1.0	-40.84	389.50	9.45	-31.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020277513	1	50	-1.0	-40.83	389.55	9.46	-31.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020277514	0	47	-1.0	-42.38	376.11	8.74	-33.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020277514	1	47	-1.0	-42.41	376.06	8.71	-33.70
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020277515	0	54	-1.0	-41.09	427.97	11.51	-29.58
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020277515	1	54	-1.0	-41.08	427.99	11.50	-29.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020277516	0	47	-1.0	-45.23	389.01	8.80	-36.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020277516	1	47	-1.0	-45.20	388.95	8.77	-36.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020277517	0	56	-1.0	-45.32	425.00	10.25	-35.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020277517	1	56	-1.0	-45.32	424.94	10.24	-35.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020277518	0	50	-1.0	-44.74	411.17	10.92	-33.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020277518	1	50	-1.0	-44.71	411.11	10.89	-33.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CCC1=CC=CS1	REAL300020277519	0	52	-1.0	-41.61	426.98	9.70	-31.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CCC1=CC=CS1	REAL300020277519	1	52	-1.0	-41.61	427.04	9.72	-31.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CCC1=CC=CS1	REAL300020277520	0	49	-1.0	-44.90	402.38	9.21	-35.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CCC1=CC=CS1	REAL300020277520	1	49	-1.0	-44.89	402.33	9.19	-35.70
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277521	0	47	-1.0	-39.99	384.25	6.14	-33.85
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277521	1	47	-1.0	-39.99	384.31	6.16	-33.83
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277522	0	44	-1.0	-42.02	361.59	5.53	-36.49
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277522	1	44	-1.0	-42.02	361.52	5.50	-36.52
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020277523	0	51	-1.0	-41.96	414.11	8.00	-33.96
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020277523	1	51	-1.0	-41.96	414.15	7.99	-33.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CCC)CC1	REAL300020277524	0	58	-1.0	-40.62	433.55	10.27	-30.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CCC)CC1	REAL300020277524	1	58	-1.0	-40.65	433.60	10.28	-30.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CCC)CC1	REAL300020277525	0	55	-1.0	-42.81	412.76	8.71	-34.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CCC)CC1	REAL300020277525	1	55	-1.0	-42.82	412.82	8.74	-34.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020277526	0	51	-1.0	-39.80	393.54	8.28	-31.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020277526	1	51	-1.0	-39.83	393.60	8.29	-31.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020277527	0	48	-1.0	-44.95	363.03	9.17	-35.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020277527	1	48	-1.0	-44.93	362.97	9.14	-35.79
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(C)CC	REAL300020277528	0	55	-1.0	-41.97	427.92	11.07	-30.90
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(C)CC	REAL300020277528	1	55	-1.0	-41.91	427.98	11.04	-30.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC(C)C	REAL300020277529	0	55	-1.0	-40.25	416.63	8.75	-31.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC(C)C	REAL300020277529	1	55	-1.0	-40.20	416.69	8.77	-31.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC(C)C	REAL300020277530	0	52	-1.0	-43.39	399.82	8.20	-35.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC(C)C	REAL300020277530	1	52	-1.0	-43.38	399.76	8.17	-35.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)C1=CC=CC=C1	REAL300020277531	0	58	-1.0	-42.62	452.67	11.89	-30.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)C1=CC=CC=C1	REAL300020277531	1	58	-1.0	-42.62	452.73	11.90	-30.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)C1=CC=CC=C1	REAL300020277532	0	55	-1.0	-42.68	416.20	10.85	-31.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)C1=CC=CC=C1	REAL300020277532	1	55	-1.0	-42.63	416.13	10.84	-31.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020277533	0	53	-1.0	-48.86	419.67	7.09	-41.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020277533	1	53	-1.0	-48.80	419.73	7.10	-41.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020277534	0	50	-1.0	-50.49	397.63	6.35	-44.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020277534	1	50	-1.0	-50.53	397.57	6.32	-44.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020277535	0	55	-1.0	-40.87	416.08	9.00	-31.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020277535	1	55	-1.0	-40.83	416.14	9.01	-31.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020277536	0	52	-1.0	-43.84	402.76	8.96	-34.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020277536	1	52	-1.0	-43.80	402.71	8.95	-34.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020277537	0	51	-1.0	-42.14	420.77	5.97	-36.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020277537	1	51	-1.0	-42.12	420.82	5.99	-36.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020277538	0	48	-1.0	-46.63	393.09	5.72	-40.91
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020277538	1	48	-1.0	-46.61	393.03	5.70	-40.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CCCO1	REAL300020277539	0	50	-1.0	-41.78	386.27	7.02	-34.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CCCO1	REAL300020277539	1	50	-1.0	-41.78	386.33	7.04	-34.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CCCO1	REAL300020277540	0	47	-1.0	-43.14	370.63	5.57	-37.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CCCO1	REAL300020277540	1	47	-1.0	-43.15	370.56	5.56	-37.59
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CCCO1	REAL300020277541	0	54	-1.0	-42.56	417.92	9.06	-33.50
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CCCO1	REAL300020277541	1	54	-1.0	-42.44	417.93	9.05	-33.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020277542	0	44	-1.0	-42.11	342.88	6.65	-35.46
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020277542	1	44	-1.0	-42.13	342.93	6.67	-35.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020277543	0	41	-1.0	-45.41	318.52	6.44	-38.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020277543	1	41	-1.0	-45.43	318.46	6.42	-39.01
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020277544	0	48	-1.0	-43.37	373.46	8.63	-34.74
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020277544	1	48	-1.0	-43.34	373.51	8.62	-34.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020277545	0	50	-1.0	-42.46	400.58	10.15	-32.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020277545	1	50	-1.0	-42.46	400.64	10.17	-32.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020277546	0	47	-1.0	-44.35	379.40	9.36	-34.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020277546	1	47	-1.0	-44.33	379.34	9.34	-34.99
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277547	0	50	-1.0	-41.53	415.68	9.70	-31.83
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277547	1	50	-1.0	-41.57	415.74	9.71	-31.86
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277548	0	47	-1.0	-47.60	387.31	9.15	-38.45
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277548	1	47	-1.0	-47.60	387.26	9.14	-38.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1CCCCC1	REAL300020277549	0	58	-1.0	-40.62	438.99	10.98	-29.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1CCCCC1	REAL300020277549	1	58	-1.0	-40.67	439.04	11.00	-29.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1CCCCC1	REAL300020277550	0	55	-1.0	-44.01	406.37	10.50	-33.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1CCCCC1	REAL300020277550	1	55	-1.0	-44.06	406.42	10.51	-33.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020277551	0	54	-1.0	-43.94	431.06	9.15	-34.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020277551	1	54	-1.0	-43.94	431.00	9.12	-34.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020277552	0	54	-1.0	-43.61	432.06	8.22	-35.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020277552	1	54	-1.0	-43.62	432.11	8.23	-35.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020277553	0	51	-1.0	-47.08	418.46	7.44	-39.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020277553	1	51	-1.0	-47.06	418.41	7.41	-39.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020277554	0	51	-1.0	-46.27	399.77	10.46	-35.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020277554	1	51	-1.0	-46.21	399.71	10.44	-35.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020277555	0	50	-1.0	-42.88	384.09	9.19	-33.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020277555	1	50	-1.0	-42.89	384.15	9.21	-33.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020277556	0	49	-1.0	-43.22	401.78	7.28	-35.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020277556	1	49	-1.0	-43.22	401.72	7.26	-35.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020277557	0	46	-1.0	-45.36	383.99	6.37	-38.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020277557	1	46	-1.0	-45.35	383.93	6.35	-39.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020277558	0	58	0.0	-67.03	427.70	7.68	-59.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020277558	1	58	0.0	-67.01	427.76	7.69	-59.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020277559	0	44	-1.0	-40.58	361.62	8.55	-32.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020277559	1	44	-1.0	-40.59	361.67	8.57	-32.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020277560	0	41	-1.0	-43.14	339.28	7.75	-35.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020277560	1	41	-1.0	-43.16	339.22	7.73	-35.43
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020277561	0	48	-1.0	-41.99	393.67	10.56	-31.43
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020277561	1	48	-1.0	-41.95	393.72	10.55	-31.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020277562	0	47	-1.0	-38.81	386.69	9.31	-29.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020277562	1	47	-1.0	-38.80	386.74	9.33	-29.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020277563	0	44	-1.0	-42.06	372.62	8.36	-33.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020277563	1	44	-1.0	-42.09	372.56	8.34	-33.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020277564	0	47	-1.0	-42.84	391.57	9.22	-33.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020277564	1	47	-1.0	-42.84	391.62	9.24	-33.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020277565	0	44	-1.0	-43.29	366.11	9.84	-33.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020277565	1	44	-1.0	-43.27	366.03	9.84	-33.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020277566	0	50	-1.0	-46.48	400.80	6.49	-39.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020277566	1	50	-1.0	-46.45	400.85	6.51	-39.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020277567	0	47	-1.0	-45.39	375.32	6.17	-39.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020277567	1	47	-1.0	-45.40	375.26	6.16	-39.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC)CC1	REAL300020277568	0	56	-1.0	-40.31	430.06	8.95	-31.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC)CC1	REAL300020277568	1	56	-1.0	-40.27	430.12	8.96	-31.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC)CC1	REAL300020277569	0	53	-1.0	-41.85	412.64	7.87	-33.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC)CC1	REAL300020277569	1	53	-1.0	-41.87	412.70	7.89	-33.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020277570	0	47	-1.0	-48.38	395.59	2.47	-45.91
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020277570	1	47	-1.0	-48.37	395.64	2.49	-45.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCC)CCOC	REAL300020277571	0	52	-1.0	-42.19	403.56	6.45	-35.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCC)CCOC	REAL300020277571	1	52	-1.0	-42.20	403.67	6.46	-35.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCCC)CCOC	REAL300020277572	0	49	-1.0	-44.90	387.10	5.92	-38.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCCC)CCOC	REAL300020277572	1	49	-1.0	-44.87	387.05	5.88	-38.99
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCC)CCOC	REAL300020277573	0	56	-1.0	-43.86	433.32	8.62	-35.24
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCC)CCOC	REAL300020277573	1	56	-1.0	-43.85	433.36	8.61	-35.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020277574	0	56	0.0	-74.38	427.38	10.79	-63.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020277574	1	56	0.0	-69.36	426.34	10.40	-58.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020277574	1	55	-1.0	-43.71	433.82	8.32	-35.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020277574	1	55	-1.0	-43.72	433.90	8.34	-35.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020277575	0	49	-1.0	-44.18	413.71	10.22	-33.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020277575	1	49	-1.0	-44.17	413.77	10.23	-33.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020277576	0	46	-1.0	-45.30	382.06	10.04	-35.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020277576	1	46	-1.0	-45.30	382.01	10.04	-35.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020277577	0	47	-1.0	-43.43	375.50	5.77	-37.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020277577	1	47	-1.0	-43.42	375.55	5.79	-37.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020277578	0	44	-1.0	-44.53	352.64	5.40	-39.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020277578	1	44	-1.0	-44.53	352.58	5.38	-39.15
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020277579	0	51	-1.0	-46.81	410.00	7.93	-38.88
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020277579	1	51	-1.0	-46.76	410.03	7.92	-38.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC	REAL300020277580	0	46	-1.0	-40.42	359.93	6.91	-33.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC	REAL300020277580	1	46	-1.0	-40.41	359.99	6.92	-33.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC	REAL300020277581	0	43	-1.0	-45.73	327.52	6.91	-38.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC	REAL300020277581	1	43	-1.0	-45.73	327.47	6.91	-38.82
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CC	REAL300020277582	0	50	-1.0	-42.56	382.11	9.31	-33.25
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CC	REAL300020277582	1	50	-1.0	-42.47	382.14	9.31	-33.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(SCC)C1	REAL300020277583	0	53	-1.0	-41.54	412.00	9.89	-31.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(SCC)C1	REAL300020277583	1	53	-1.0	-41.55	412.05	9.90	-31.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(SCC)C1	REAL300020277584	0	50	-1.0	-42.18	398.43	9.02	-33.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(SCC)C1	REAL300020277584	1	50	-1.0	-42.21	398.49	9.05	-33.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020277585	0	56	0.0	-75.07	418.60	9.00	-66.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020277585	1	56	0.0	-71.11	418.65	11.32	-59.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020277585	1	55	-1.0	-44.71	423.65	8.37	-36.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020277585	1	55	-1.0	-44.69	423.68	8.39	-36.30
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277586	0	56	-1.0	-39.08	432.54	10.47	-28.61
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277586	1	56	-1.0	-39.07	432.62	10.48	-28.59
C=CCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277587	0	53	-1.0	-44.39	399.81	10.49	-33.90
C=CCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277587	1	53	-1.0	-44.40	399.75	10.48	-33.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020277588	0	46	-1.0	-40.48	368.38	7.53	-32.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020277588	1	46	-1.0	-40.50	368.44	7.55	-32.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020277589	0	43	-1.0	-41.55	347.22	7.41	-34.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020277589	1	43	-1.0	-41.54	347.16	7.38	-34.16
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020277590	0	50	-1.0	-42.11	392.88	9.38	-32.73
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020277590	1	50	-1.0	-42.08	392.92	9.37	-32.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020277591	0	50	-1.0	-42.17	407.40	5.77	-36.40
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020277591	1	50	-1.0	-42.17	407.46	5.79	-36.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020277592	0	47	-1.0	-44.54	384.12	5.45	-39.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020277592	1	47	-1.0	-44.56	384.05	5.43	-39.13
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020277593	0	54	-1.0	-43.49	440.11	7.53	-35.96
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020277593	1	54	-1.0	-43.42	440.19	7.52	-35.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020277594	0	47	-1.0	-40.52	391.86	9.62	-30.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020277594	1	47	-1.0	-40.51	391.92	9.63	-30.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020277595	0	44	-1.0	-44.24	362.80	8.55	-35.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020277595	1	44	-1.0	-44.25	362.73	8.52	-35.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020277596	0	53	-1.0	-42.40	432.55	10.89	-31.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020277596	1	53	-1.0	-42.42	432.61	10.91	-31.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020277597	0	50	-1.0	-44.69	414.71	9.83	-34.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020277597	1	50	-1.0	-44.75	414.66	9.80	-34.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020277598	0	48	-1.0	-51.92	385.13	4.91	-47.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020277598	1	48	-1.0	-51.97	385.19	4.93	-47.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020277599	0	45	-1.0	-53.08	365.80	4.19	-48.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020277599	1	45	-1.0	-53.13	365.74	4.16	-48.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020277600	0	50	-1.0	-41.15	387.62	9.72	-31.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020277600	1	50	-1.0	-41.15	387.68	9.73	-31.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020277601	0	47	-1.0	-43.30	362.13	8.82	-34.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020277601	1	47	-1.0	-43.33	362.07	8.79	-34.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020277602	0	53	-1.0	-43.54	410.19	6.20	-37.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020277602	1	53	-1.0	-43.54	410.28	6.22	-37.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020277603	0	50	-1.0	-45.98	394.58	6.92	-39.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020277603	1	50	-1.0	-45.95	394.57	6.90	-39.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020277604	0	44	-1.0	-39.56	366.27	6.64	-32.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020277604	1	44	-1.0	-39.58	366.32	6.65	-32.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020277605	0	41	-1.0	-40.15	338.42	6.53	-33.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020277605	1	41	-1.0	-40.15	338.35	6.51	-33.64
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1C	REAL300020277606	0	48	-1.0	-40.99	391.64	8.92	-32.07
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1C	REAL300020277606	1	48	-1.0	-40.94	391.40	8.89	-32.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020277607	0	51	-1.0	-43.30	408.05	7.74	-35.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020277607	1	51	-1.0	-43.24	408.11	7.75	-35.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020277608	0	48	-1.0	-45.65	380.31	5.60	-40.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020277608	1	48	-1.0	-45.73	380.26	5.57	-40.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020277609	0	48	-1.0	-44.90	395.03	6.18	-38.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020277609	1	48	-1.0	-44.92	394.97	6.16	-38.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020277610	0	50	-1.0	-41.95	379.74	8.78	-33.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020277610	1	50	-1.0	-42.00	379.78	8.80	-33.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020277611	0	47	-1.0	-44.05	364.02	8.15	-35.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020277611	1	47	-1.0	-44.03	363.96	8.13	-35.90
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020277612	0	54	-1.0	-43.06	396.61	9.54	-33.52
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020277612	1	54	-1.0	-43.03	396.53	9.53	-33.50
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277613	0	51	-1.0	-44.05	434.19	10.62	-33.43
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277613	1	51	-1.0	-44.07	434.25	10.64	-33.43
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277614	0	48	-1.0	-44.22	401.27	9.81	-34.41
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277614	1	48	-1.0	-44.21	401.22	9.80	-34.41
C#CCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277615	0	41	-1.0	-39.86	339.50	7.34	-32.52
C#CCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277615	1	41	-1.0	-39.83	339.56	7.35	-32.48
C#CCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020277616	0	45	-1.0	-41.56	372.70	9.35	-32.21
C#CCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020277616	1	45	-1.0	-41.53	372.75	9.35	-32.18
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277617	0	53	-1.0	-40.82	437.44	10.78	-30.04
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277617	1	53	-1.0	-40.79	437.49	10.80	-29.99
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277618	0	50	-1.0	-43.08	412.72	10.38	-32.70
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277618	1	50	-1.0	-43.09	412.67	10.35	-32.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCOC)CC1=CC=CC=C1	REAL300020277619	0	56	-1.0	-48.86	459.57	9.37	-39.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCOC)CC1=CC=CC=C1	REAL300020277619	1	56	-1.0	-48.82	459.52	9.35	-39.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020277620	0	56	-1.0	-39.89	441.64	11.45	-28.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020277620	1	56	-1.0	-39.91	441.70	11.47	-28.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020277621	0	53	-1.0	-45.56	415.33	10.22	-35.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020277621	1	53	-1.0	-45.52	415.29	10.20	-35.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOCC	REAL300020277622	0	49	-1.0	-39.97	392.99	6.88	-33.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOCC	REAL300020277622	1	49	-1.0	-39.98	393.05	6.89	-33.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOCC	REAL300020277623	0	46	-1.0	-42.44	361.47	6.48	-35.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOCC	REAL300020277623	1	46	-1.0	-42.43	361.42	6.47	-35.96
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCOCC	REAL300020277624	0	53	-1.0	-41.10	419.69	8.59	-32.51
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCOCC	REAL300020277624	1	53	-1.0	-41.05	419.76	8.58	-32.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020277625	0	51	-1.0	-41.54	413.84	9.05	-32.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020277625	1	51	-1.0	-41.54	413.89	9.06	-32.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020277626	0	48	-1.0	-45.96	385.91	7.77	-38.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020277626	1	48	-1.0	-45.96	385.86	7.74	-38.22
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020277627	0	48	-1.0	-40.74	402.16	10.42	-30.32
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020277627	1	48	-1.0	-40.78	402.22	10.44	-30.34
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020277628	0	45	-1.0	-43.03	384.07	9.31	-33.72
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020277628	1	45	-1.0	-43.03	384.02	9.29	-33.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCCC1=CC=CC=C1)CCOC	REAL300020277629	0	56	-1.0	-45.33	444.72	8.79	-36.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCCC1=CC=CC=C1)CCOC	REAL300020277629	1	56	-1.0	-45.28	444.79	8.82	-36.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCCC1	REAL300020277630	0	49	-1.0	-40.53	362.72	8.98	-31.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCCC1	REAL300020277630	1	49	-1.0	-40.52	362.78	8.99	-31.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCCC1	REAL300020277631	0	46	-1.0	-43.86	359.54	7.23	-36.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCCC1	REAL300020277631	1	46	-1.0	-43.85	359.49	7.22	-36.63
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CCCC1	REAL300020277632	0	53	-1.0	-41.71	401.70	10.47	-31.24
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CCCC1	REAL300020277632	1	53	-1.0	-41.73	401.70	10.46	-31.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OCC)C=C2C1	REAL300020277633	0	54	-1.0	-41.68	436.23	9.58	-32.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OCC)C=C2C1	REAL300020277633	1	54	-1.0	-41.69	436.29	9.60	-32.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OCC)C=C2C1	REAL300020277634	0	51	-1.0	-45.97	407.76	8.70	-37.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OCC)C=C2C1	REAL300020277634	1	51	-1.0	-46.01	407.71	8.67	-37.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020277635	0	49	-1.0	-40.96	397.13	5.54	-35.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020277635	1	49	-1.0	-40.96	397.19	5.56	-35.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020277636	0	46	-1.0	-43.50	382.60	4.68	-38.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020277636	1	46	-1.0	-43.49	382.54	4.66	-38.83
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020277637	0	53	-1.0	-42.78	422.03	7.52	-35.26
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020277637	1	53	-1.0	-42.78	422.07	7.50	-35.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020277638	0	54	-1.0	-40.74	431.33	9.61	-31.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020277638	1	54	-1.0	-40.75	431.39	9.62	-31.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020277639	0	51	-1.0	-44.44	414.81	9.35	-35.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020277639	1	51	-1.0	-44.46	414.73	9.32	-35.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OCC)C=C1	REAL300020277640	0	54	-1.0	-42.12	423.09	8.55	-33.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OCC)C=C1	REAL300020277640	1	54	-1.0	-42.07	422.92	8.55	-33.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C(C)C)C=C1)C1CC1	REAL300020277641	0	56	-1.0	-43.03	445.57	11.98	-31.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C(C)C)C=C1)C1CC1	REAL300020277641	1	56	-1.0	-43.02	445.49	11.95	-31.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020277642	0	50	-1.0	-40.22	417.43	10.86	-29.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020277642	1	50	-1.0	-40.19	417.48	10.88	-29.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020277643	0	47	-1.0	-43.71	390.36	10.43	-33.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020277643	1	47	-1.0	-43.76	390.30	10.41	-33.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020277644	0	53	-1.0	-42.25	420.67	5.75	-36.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020277644	1	53	-1.0	-42.24	420.73	5.76	-36.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020277645	0	50	-1.0	-43.54	405.27	4.74	-38.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020277645	1	50	-1.0	-43.59	405.33	4.76	-38.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020277646	0	49	-1.0	-40.11	393.18	9.83	-30.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020277646	1	49	-1.0	-40.08	393.24	9.85	-30.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020277647	0	46	-1.0	-42.59	373.16	9.42	-33.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020277647	1	46	-1.0	-42.68	373.10	9.41	-33.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020277648	0	50	-1.0	-46.01	394.48	7.29	-38.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020277648	1	50	-1.0	-46.07	394.54	7.30	-38.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020277649	0	47	-1.0	-49.63	346.84	6.35	-43.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020277649	1	47	-1.0	-49.60	346.78	6.32	-43.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020277650	0	50	-1.0	-42.02	404.62	10.75	-31.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020277650	1	50	-1.0	-41.98	404.67	10.77	-31.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020277651	0	47	-1.0	-48.54	352.01	9.13	-39.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020277651	1	47	-1.0	-48.48	351.97	9.12	-39.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020277652	0	54	-1.0	-45.17	426.36	9.83	-35.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020277652	1	54	-1.0	-45.20	426.42	9.84	-35.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020277653	0	51	-1.0	-47.97	411.46	9.19	-38.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020277653	1	51	-1.0	-47.97	411.40	9.16	-38.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020277654	0	44	-1.0	-39.04	369.92	8.87	-30.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020277654	1	44	-1.0	-39.04	369.97	8.89	-30.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020277655	0	41	-1.0	-43.02	345.04	7.60	-35.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020277655	1	41	-1.0	-43.00	344.98	7.58	-35.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020277656	0	49	-1.0	-40.64	402.26	9.72	-30.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020277656	1	49	-1.0	-40.62	402.32	9.73	-30.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020277657	0	46	-1.0	-45.87	387.88	9.00	-36.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020277657	1	46	-1.0	-45.87	387.82	8.98	-36.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020277658	0	53	-1.0	-40.85	410.98	9.82	-31.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020277658	1	53	-1.0	-40.87	411.03	9.83	-31.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020277659	0	50	-1.0	-43.67	374.66	8.19	-35.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020277659	1	50	-1.0	-43.70	374.60	8.17	-35.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020277660	0	51	-1.0	-48.88	416.36	4.76	-44.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020277660	1	51	-1.0	-48.87	416.41	4.77	-44.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020277661	0	48	-1.0	-46.38	391.37	3.93	-42.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020277661	1	48	-1.0	-46.36	391.43	3.95	-42.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020277662	0	58	-1.0	-42.60	428.98	7.21	-35.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020277662	1	58	-1.0	-42.60	429.06	7.22	-35.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020277662	1	59	0.0	-68.44	426.90	8.36	-60.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020277663	0	47	-1.0	-41.60	372.13	8.57	-33.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020277663	1	47	-1.0	-41.56	372.18	8.58	-32.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020277664	0	44	-1.0	-44.10	348.87	8.23	-35.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020277664	1	44	-1.0	-44.09	348.80	8.22	-35.87
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020277665	0	51	-1.0	-42.29	402.33	10.62	-31.67
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020277665	1	51	-1.0	-42.25	402.36	10.61	-31.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020277666	0	51	-1.0	-41.82	397.14	7.10	-34.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020277666	1	51	-1.0	-41.84	397.20	7.11	-34.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020277667	0	48	-1.0	-44.96	371.09	6.58	-38.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020277667	1	48	-1.0	-44.95	371.17	6.60	-38.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020277668	0	53	-1.0	-44.93	429.79	7.55	-37.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020277668	1	53	-1.0	-44.91	429.85	7.57	-37.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CC)C1	REAL300020277669	0	49	-1.0	-39.67	379.47	8.15	-31.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CC)C1	REAL300020277669	1	49	-1.0	-39.70	379.53	8.17	-31.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CC)C1	REAL300020277670	0	46	-1.0	-42.50	356.10	7.55	-34.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CC)C1	REAL300020277670	1	46	-1.0	-42.53	356.04	7.53	-35.00
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(CC)C1	REAL300020277671	0	53	-1.0	-40.85	408.63	10.83	-30.02
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(CC)C1	REAL300020277671	1	53	-1.0	-40.81	408.65	10.81	-30.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020277672	0	56	-1.0	-43.89	437.63	11.27	-32.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020277672	1	56	-1.0	-43.91	437.68	11.29	-32.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020277673	0	54	-1.0	-41.18	410.53	7.67	-33.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020277673	1	54	-1.0	-41.18	410.58	7.69	-33.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020277674	0	51	-1.0	-45.92	374.42	6.13	-39.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020277674	1	51	-1.0	-45.93	374.48	6.15	-39.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=C(OC)C=C1	REAL300020277675	0	56	-1.0	-48.87	436.76	9.98	-38.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=C(OC)C=C1	REAL300020277675	1	56	-1.0	-48.83	436.85	10.00	-38.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020277676	0	46	-1.0	-39.84	403.13	9.39	-30.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020277676	1	46	-1.0	-39.89	403.19	9.41	-30.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020277677	0	43	-1.0	-40.89	377.89	8.88	-32.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020277677	1	43	-1.0	-40.87	377.83	8.86	-32.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020277678	0	52	-1.0	-41.05	430.26	8.97	-32.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020277678	1	52	-1.0	-41.05	430.31	8.98	-32.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020277679	0	49	-1.0	-43.07	406.22	8.15	-34.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020277679	1	49	-1.0	-43.05	406.27	8.17	-34.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020277680	0	48	-1.0	-39.65	409.33	7.72	-31.93
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020277680	1	48	-1.0	-39.64	409.39	7.74	-31.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020277681	0	45	-1.0	-42.31	382.64	7.53	-34.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020277681	1	45	-1.0	-42.30	382.58	7.50	-34.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020277682	0	50	-1.0	-43.59	397.81	5.04	-38.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020277682	1	50	-1.0	-43.57	397.87	5.05	-38.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020277683	0	47	-1.0	-45.78	379.80	3.89	-41.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020277683	1	47	-1.0	-45.83	379.74	3.88	-41.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020277684	0	50	-1.0	-45.58	413.88	6.95	-38.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020277684	1	50	-1.0	-45.56	413.82	6.92	-38.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020277685	0	50	-1.0	-49.64	412.13	7.24	-42.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020277685	1	50	-1.0	-49.65	412.00	7.23	-42.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020277686	0	53	-1.0	-40.04	434.45	8.01	-32.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020277686	1	53	-1.0	-40.04	434.51	8.03	-32.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020277687	0	50	-1.0	-42.99	405.92	7.70	-35.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020277687	1	50	-1.0	-42.95	406.12	7.68	-35.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020277688	0	56	-1.0	-46.99	433.56	8.17	-38.82
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020277688	1	56	-1.0	-47.00	433.62	8.18	-38.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020277689	0	53	-1.0	-48.72	410.91	8.22	-40.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020277689	1	53	-1.0	-48.72	410.99	8.23	-40.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020277690	0	46	-1.0	-40.30	399.54	9.02	-31.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020277690	1	46	-1.0	-40.28	399.59	9.03	-31.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020277691	0	43	-1.0	-42.51	370.03	9.09	-33.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020277691	1	43	-1.0	-42.50	369.98	9.07	-33.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(COC)C1	REAL300020277692	0	51	-1.0	-41.03	408.60	5.77	-35.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(COC)C1	REAL300020277692	1	51	-1.0	-41.05	408.65	5.79	-35.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(COC)C1	REAL300020277693	0	48	-1.0	-43.61	365.41	4.28	-39.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(COC)C1	REAL300020277693	1	48	-1.0	-43.65	365.35	4.26	-39.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020277694	0	47	-1.0	-44.60	391.43	6.04	-38.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020277694	1	47	-1.0	-44.69	391.49	6.06	-38.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020277695	0	44	-1.0	-46.32	371.28	5.34	-40.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020277695	1	44	-1.0	-46.32	371.22	5.32	-41.00
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020277696	0	47	-1.0	-52.99	375.32	3.79	-49.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020277696	1	47	-1.0	-52.96	375.37	3.80	-49.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020277697	0	44	-1.0	-56.91	353.85	3.01	-53.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020277697	1	44	-1.0	-56.96	353.79	2.99	-53.97
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020277698	0	51	-1.0	-53.52	401.58	5.69	-47.83
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020277698	1	51	-1.0	-53.46	401.63	5.68	-47.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020277699	0	49	-1.0	-42.60	396.07	7.59	-35.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020277699	1	49	-1.0	-42.63	396.13	7.60	-35.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020277700	0	46	-1.0	-44.55	372.61	6.94	-37.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020277700	1	46	-1.0	-44.53	372.55	6.91	-37.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(COC)CC1	REAL300020277701	0	53	-1.0	-40.72	409.92	7.61	-33.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(COC)CC1	REAL300020277701	1	53	-1.0	-40.75	409.97	7.62	-33.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(COC)CC1	REAL300020277702	0	50	-1.0	-44.95	383.22	7.04	-37.91
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(COC)CC1	REAL300020277702	1	50	-1.0	-44.95	383.30	7.05	-37.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020277703	0	51	-1.0	-40.61	397.02	8.16	-32.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020277703	1	51	-1.0	-40.57	397.08	8.17	-32.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020277704	0	48	-1.0	-44.61	370.30	7.83	-36.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020277704	1	48	-1.0	-44.58	370.25	7.82	-36.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CSC=C2)CC1	REAL300020277705	0	52	-1.0	-43.13	419.29	7.85	-35.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CSC=C2)CC1	REAL300020277705	1	52	-1.0	-43.11	419.35	7.88	-35.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CSC=C2)CC1	REAL300020277705	1	53	0.0	-64.82	419.43	9.23	-55.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C(F)(F)F)=CS1	REAL300020277706	0	42	-1.0	-41.54	379.87	6.98	-34.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C(F)(F)F)=CS1	REAL300020277706	1	42	-1.0	-41.57	379.94	7.00	-34.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020277707	0	49	-1.0	-41.48	406.70	9.81	-31.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020277707	1	49	-1.0	-41.50	406.76	9.82	-31.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020277708	0	46	-1.0	-46.27	377.07	9.59	-36.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020277708	1	46	-1.0	-46.27	377.01	9.57	-36.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020277709	0	47	-1.0	-40.05	380.58	6.57	-33.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020277709	1	47	-1.0	-40.07	380.64	6.59	-33.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020277710	0	44	-1.0	-42.83	357.09	5.81	-37.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020277710	1	44	-1.0	-42.82	357.02	5.78	-37.04
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020277711	0	51	-1.0	-41.69	402.45	9.03	-32.66
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020277711	1	51	-1.0	-41.66	402.45	9.02	-32.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020277712	0	52	-1.0	-44.60	421.05	8.78	-35.82
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020277712	1	52	-1.0	-44.54	421.11	8.79	-35.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020277713	0	49	-1.0	-50.32	394.30	8.46	-41.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020277713	1	49	-1.0	-50.35	394.35	8.48	-41.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020277714	0	50	-1.0	-40.19	386.35	7.57	-32.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020277714	1	50	-1.0	-40.22	386.41	7.59	-32.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020277715	0	47	-1.0	-43.11	366.23	6.87	-36.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020277715	1	47	-1.0	-43.12	366.18	6.86	-36.26
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020277716	0	54	-1.0	-41.78	423.83	9.38	-32.40
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020277716	1	54	-1.0	-41.73	423.84	9.36	-32.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020277717	0	49	-1.0	-40.34	392.37	9.64	-30.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020277717	1	49	-1.0	-40.39	392.42	9.66	-30.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020277718	0	46	-1.0	-43.44	374.25	9.26	-34.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020277718	1	46	-1.0	-43.41	374.44	9.24	-34.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020277719	0	54	-1.0	-41.93	433.66	9.63	-32.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020277719	1	54	-1.0	-41.95	433.72	9.65	-32.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020277720	0	51	-1.0	-45.92	404.14	9.23	-36.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020277720	1	51	-1.0	-45.89	404.11	9.21	-36.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC)C1	REAL300020277721	0	50	-1.0	-40.37	396.95	7.40	-32.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC)C1	REAL300020277721	1	50	-1.0	-40.38	397.01	7.41	-32.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC)C1	REAL300020277722	0	47	-1.0	-42.45	352.57	5.84	-36.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC)C1	REAL300020277722	1	47	-1.0	-42.49	352.51	5.82	-36.67
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(CC)C1	REAL300020277723	0	54	-1.0	-41.83	433.26	9.51	-32.32
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(CC)C1	REAL300020277723	1	54	-1.0	-41.80	433.35	9.50	-32.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020277724	0	54	-1.0	-44.23	424.23	10.98	-33.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020277724	1	54	-1.0	-44.23	424.27	11.00	-33.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020277725	0	42	-1.0	-41.35	360.67	7.05	-34.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020277725	1	42	-1.0	-41.34	360.73	7.07	-34.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020277726	0	39	-1.0	-42.82	340.47	6.32	-36.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020277726	1	39	-1.0	-42.79	340.52	6.34	-36.45
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(F)(F)F	REAL300020277727	0	46	-1.0	-44.53	385.26	9.28	-35.25
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(F)(F)F	REAL300020277727	1	46	-1.0	-44.48	385.30	9.27	-35.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020277728	0	48	-1.0	-40.25	401.82	7.66	-32.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020277728	1	48	-1.0	-40.20	401.90	7.67	-32.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020277729	0	45	-1.0	-46.18	381.34	7.06	-39.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020277729	1	45	-1.0	-46.18	381.29	7.05	-39.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020277730	0	42	-1.0	-41.32	365.04	6.15	-35.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020277730	1	42	-1.0	-41.39	365.10	6.16	-35.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020277731	0	39	-1.0	-46.32	337.92	5.61	-40.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020277731	1	39	-1.0	-46.33	337.87	5.59	-40.74
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CSC=N1	REAL300020277732	0	46	-1.0	-43.57	395.41	8.17	-35.40
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CSC=N1	REAL300020277732	1	46	-1.0	-43.57	395.48	8.14	-35.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020277733	0	51	-1.0	-50.90	408.98	4.79	-46.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020277733	1	51	-1.0	-50.93	409.02	4.81	-46.12
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020277734	0	52	-1.0	-40.79	387.49	8.59	-32.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020277734	1	52	-1.0	-40.78	387.54	8.60	-32.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020277735	0	49	-1.0	-43.07	370.55	7.86	-35.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020277735	1	49	-1.0	-43.03	370.50	7.84	-35.19
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020277736	0	56	-1.0	-42.02	421.68	10.68	-31.34
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020277736	1	56	-1.0	-41.97	421.72	10.67	-31.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020277737	0	52	-1.0	-41.14	373.96	8.22	-32.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020277737	1	52	-1.0	-41.16	374.01	8.24	-32.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020277738	0	49	-1.0	-43.67	366.82	8.66	-35.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020277738	1	49	-1.0	-43.68	366.76	8.64	-35.04
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020277739	0	56	-1.0	-41.89	406.01	10.18	-31.71
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020277739	1	56	-1.0	-41.86	406.12	10.17	-31.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020277740	0	52	-1.0	-40.41	402.14	5.34	-35.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020277740	1	52	-1.0	-40.44	402.20	5.36	-35.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020277741	0	49	-1.0	-41.97	380.56	5.20	-36.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020277741	1	49	-1.0	-41.99	380.63	5.22	-36.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020277742	0	55	-1.0	-40.51	410.21	7.53	-32.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020277742	1	55	-1.0	-40.52	410.27	7.54	-32.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020277743	0	52	-1.0	-43.14	402.22	5.95	-37.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020277743	1	52	-1.0	-43.14	402.28	5.98	-37.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020277744	0	55	-1.0	-45.57	428.38	9.95	-35.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020277744	1	55	-1.0	-45.55	428.44	9.96	-35.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020277745	0	49	-1.0	-54.34	395.88	4.80	-49.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020277745	1	49	-1.0	-54.32	395.83	4.77	-49.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020277746	0	48	-1.0	-43.63	400.22	8.45	-35.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020277746	1	48	-1.0	-43.64	400.27	8.47	-35.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020277747	0	59	-1.0	-40.37	420.78	10.88	-29.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020277747	1	59	-1.0	-40.40	420.83	10.89	-29.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020277748	0	56	-1.0	-45.82	377.23	9.17	-36.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020277748	1	56	-1.0	-45.82	377.26	9.17	-36.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020277749	0	53	-1.0	-39.30	408.14	9.89	-29.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020277749	1	53	-1.0	-39.32	408.20	9.91	-29.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020277750	0	50	-1.0	-42.19	384.01	9.24	-32.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020277750	1	50	-1.0	-42.18	383.95	9.23	-32.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020277751	0	52	-1.0	-39.89	404.57	7.99	-31.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020277751	1	52	-1.0	-39.89	404.63	8.01	-31.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020277752	0	49	-1.0	-42.90	377.63	7.51	-35.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020277752	1	49	-1.0	-42.91	377.69	7.52	-35.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020277753	0	47	-1.0	-39.41	377.60	8.78	-30.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020277753	1	47	-1.0	-39.43	377.66	8.80	-30.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020277754	0	44	-1.0	-41.82	356.17	8.03	-33.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020277754	1	44	-1.0	-41.79	356.11	8.00	-33.79
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020277755	0	51	-1.0	-41.27	403.24	10.74	-30.53
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020277755	1	51	-1.0	-41.24	403.30	10.73	-30.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020277756	0	55	-1.0	-40.86	400.03	9.16	-31.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020277756	1	55	-1.0	-40.90	400.08	9.18	-31.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020277757	0	52	-1.0	-43.00	385.03	8.62	-34.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020277757	1	52	-1.0	-42.98	384.98	8.59	-34.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020277758	0	49	-1.0	-51.44	397.15	7.01	-44.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020277758	1	49	-1.0	-51.44	397.03	7.01	-44.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020277759	0	55	-1.0	-39.44	404.57	9.08	-30.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020277759	1	55	-1.0	-39.44	404.63	9.09	-30.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020277760	0	52	-1.0	-41.54	386.85	8.75	-32.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020277760	1	52	-1.0	-41.53	386.79	8.72	-32.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)C1	REAL300020277761	0	52	-1.0	-40.51	400.53	9.23	-31.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)C1	REAL300020277761	1	52	-1.0	-40.56	400.59	9.25	-31.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)C1	REAL300020277762	0	49	-1.0	-43.70	377.84	8.69	-35.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)C1	REAL300020277762	1	49	-1.0	-43.73	377.78	8.67	-35.06
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(C)C)C1	REAL300020277763	0	56	-1.0	-41.87	433.46	11.26	-30.61
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(C)C)C1	REAL300020277763	1	56	-1.0	-41.83	433.48	11.26	-30.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)CC1	REAL300020277764	0	54	-1.0	-41.82	431.06	6.74	-35.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)CC1	REAL300020277764	1	54	-1.0	-41.87	431.12	6.75	-35.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)CC1	REAL300020277765	0	51	-1.0	-46.10	392.68	5.51	-40.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)CC1	REAL300020277765	1	51	-1.0	-46.11	392.74	5.53	-40.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC)C1	REAL300020277766	0	47	-1.0	-40.23	374.18	6.46	-33.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC)C1	REAL300020277766	1	47	-1.0	-40.19	374.23	6.48	-33.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)C1	REAL300020277767	0	44	-1.0	-43.26	350.97	6.15	-37.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)C1	REAL300020277767	1	44	-1.0	-43.26	350.92	6.13	-37.13
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COC)C1	REAL300020277768	0	51	-1.0	-41.63	410.84	8.29	-33.34
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COC)C1	REAL300020277768	1	51	-1.0	-41.65	410.83	8.29	-33.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020277769	0	52	-1.0	-40.24	389.00	8.88	-31.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020277769	1	52	-1.0	-40.24	389.05	8.89	-31.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020277770	0	49	-1.0	-42.78	373.35	7.91	-34.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020277770	1	49	-1.0	-42.76	373.29	7.89	-34.87
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020277771	0	56	-1.0	-41.34	418.78	10.67	-30.67
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020277771	1	56	-1.0	-41.42	418.90	10.68	-30.74
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020277772	0	55	-1.0	-43.86	435.99	9.49	-34.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020277772	1	55	-1.0	-43.85	436.05	9.51	-34.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020277773	0	52	-1.0	-45.42	421.28	8.61	-36.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020277773	1	52	-1.0	-45.43	421.34	8.64	-36.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020277774	0	54	-1.0	-41.16	428.43	9.34	-31.82
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020277774	1	54	-1.0	-41.16	428.49	9.36	-31.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020277775	0	51	-1.0	-45.29	400.85	9.05	-36.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020277775	1	51	-1.0	-45.31	400.80	9.04	-36.27
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020277776	0	47	-1.0	-39.32	375.24	8.59	-30.73
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020277776	1	47	-1.0	-39.35	375.29	8.60	-30.75
C=CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020277777	0	44	-1.0	-42.68	352.49	7.83	-34.85
C=CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020277777	1	44	-1.0	-42.68	352.43	7.81	-34.87
C=CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(=C)C)CC1	REAL300020277778	0	51	-1.0	-41.56	402.47	10.55	-31.01
C=CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(=C)C)CC1	REAL300020277778	1	51	-1.0	-41.56	402.50	10.54	-31.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)CCC)CC1	REAL300020277779	0	56	-1.0	-46.58	444.68	7.40	-39.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)CCC)CC1	REAL300020277779	1	56	-1.0	-46.59	444.74	7.42	-39.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)CCC)CC1	REAL300020277780	0	53	-1.0	-49.77	428.34	6.46	-43.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)CCC)CC1	REAL300020277780	1	53	-1.0	-49.85	428.40	6.48	-43.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020277781	0	56	-1.0	-45.88	440.91	7.46	-38.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020277781	1	56	-1.0	-45.92	440.96	7.48	-38.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020277782	0	53	-1.0	-47.50	413.90	7.56	-39.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020277782	1	53	-1.0	-47.55	413.97	7.58	-39.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020277783	0	54	-1.0	-49.26	433.39	6.27	-42.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020277783	1	54	-1.0	-49.29	433.45	6.28	-43.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020277784	0	51	-1.0	-52.98	416.00	4.95	-48.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020277784	1	51	-1.0	-52.99	416.06	4.98	-48.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020277785	0	57	-1.0	-50.60	446.74	7.81	-42.79
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020277785	1	57	-1.0	-50.60	446.79	7.83	-42.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020277786	0	54	-1.0	-50.12	436.12	7.02	-43.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020277786	1	54	-1.0	-50.14	436.17	7.04	-43.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020277787	0	53	-1.0	-48.68	423.10	6.70	-41.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020277787	1	53	-1.0	-48.68	423.16	6.72	-41.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020277788	0	50	-1.0	-53.55	393.64	6.08	-47.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020277788	1	50	-1.0	-53.56	393.69	6.10	-47.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020277789	0	53	-1.0	-45.62	420.22	6.81	-38.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020277789	1	53	-1.0	-45.58	420.28	6.82	-38.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020277790	0	50	-1.0	-46.76	402.85	5.49	-41.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020277790	1	50	-1.0	-46.79	402.91	5.51	-41.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020277791	0	54	-1.0	-44.40	424.57	6.09	-38.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020277791	1	54	-1.0	-44.41	424.62	6.11	-38.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOCC)CC1	REAL300020277792	0	55	-1.0	-42.27	433.95	5.86	-36.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOCC)CC1	REAL300020277792	1	55	-1.0	-42.26	434.01	5.88	-36.38
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020277792	1	56	0.0	-68.76	435.23	8.14	-60.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCC)CC1	REAL300020277793	0	52	-1.0	-46.11	404.17	5.40	-40.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCC)CC1	REAL300020277793	1	52	-1.0	-46.14	404.24	5.42	-40.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020277793	1	53	0.0	-65.13	417.86	7.21	-57.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020277794	0	55	-1.0	-40.39	432.29	8.93	-31.46
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020277794	1	55	-1.0	-40.40	432.35	8.95	-31.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020277795	0	52	-1.0	-44.67	404.31	8.61	-36.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020277795	1	52	-1.0	-44.71	404.27	8.60	-36.11
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC	REAL300020277796	0	46	-1.0	-41.71	367.22	8.86	-32.85
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC	REAL300020277796	1	46	-1.0	-41.72	367.24	8.85	-32.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020277797	0	56	0.0	-68.61	420.51	9.56	-59.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020277797	1	56	0.0	-68.62	420.57	9.58	-59.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020277798	0	53	0.0	-67.65	398.93	8.77	-58.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020277798	1	53	0.0	-67.66	398.99	8.78	-58.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020277799	0	49	-1.0	-39.69	387.28	6.08	-33.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020277799	1	49	-1.0	-39.68	387.34	6.09	-33.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020277799	1	50	0.0	-67.39	385.87	8.58	-58.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020277800	0	46	-1.0	-43.44	348.96	5.15	-38.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020277800	1	46	-1.0	-43.44	349.02	5.18	-38.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020277800	1	47	0.0	-62.89	370.14	7.97	-54.92
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020277801	0	53	-1.0	-41.50	420.90	8.48	-33.02
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020277801	1	54	0.0	-71.29	409.46	10.34	-60.95
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020277801	1	53	-1.0	-41.50	420.92	8.46	-33.04
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020277802	0	47	-1.0	-41.33	370.54	7.09	-34.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020277802	1	47	-1.0	-41.30	370.60	7.10	-34.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020277803	0	44	-1.0	-41.92	355.12	5.73	-36.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020277803	1	44	-1.0	-41.94	355.07	5.70	-36.24
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020277804	0	51	-1.0	-42.46	402.76	8.42	-34.04
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020277804	1	51	-1.0	-42.46	402.75	8.42	-34.04
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020277805	0	56	-1.0	-44.82	427.95	7.77	-37.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020277805	1	56	-1.0	-44.80	428.01	7.79	-37.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020277806	0	53	-1.0	-46.92	398.83	7.33	-39.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020277806	1	53	-1.0	-46.93	398.88	7.35	-39.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020277807	0	49	-1.0	-45.48	409.16	7.45	-38.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020277807	1	49	-1.0	-45.52	409.11	7.42	-38.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020277808	0	43	-1.0	-40.92	359.71	7.49	-33.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020277808	1	43	-1.0	-40.93	359.76	7.50	-33.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020277809	0	40	-1.0	-43.47	333.90	6.88	-36.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020277809	1	40	-1.0	-43.48	333.84	6.86	-36.62
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020277810	0	47	-1.0	-42.78	391.16	9.48	-33.30
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020277810	1	47	-1.0	-42.70	391.17	9.46	-33.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020277811	0	55	-1.0	-44.23	427.40	10.01	-34.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020277811	1	55	-1.0	-44.18	427.47	10.03	-34.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020277812	0	51	-1.0	-48.16	411.50	6.50	-41.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020277812	1	51	-1.0	-48.20	411.56	6.51	-41.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020277813	0	48	-1.0	-50.10	387.43	6.00	-44.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020277813	1	48	-1.0	-50.12	387.49	6.04	-44.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020277814	0	50	-1.0	-49.17	397.41	7.79	-41.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020277814	1	50	-1.0	-49.16	397.38	7.78	-41.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020277815	0	52	-1.0	-45.82	406.98	7.53	-38.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020277815	1	52	-1.0	-45.90	407.04	7.56	-38.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020277816	0	49	-1.0	-40.34	392.48	9.64	-30.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020277816	1	49	-1.0	-40.35	392.54	9.66	-30.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020277817	0	46	-1.0	-43.32	373.97	9.24	-34.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020277817	1	46	-1.0	-43.29	373.92	9.23	-34.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020277818	0	46	-1.0	-40.57	393.25	8.95	-31.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020277818	1	46	-1.0	-40.56	393.30	8.97	-31.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020277819	0	43	-1.0	-41.58	367.84	8.47	-33.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020277819	1	43	-1.0	-41.52	367.77	8.45	-33.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020277820	0	40	-1.0	-43.80	355.47	7.45	-36.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020277820	1	40	-1.0	-43.85	355.52	7.46	-36.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020277821	0	47	-1.0	-44.59	391.90	9.36	-35.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020277821	1	47	-1.0	-44.64	391.98	9.37	-35.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020277822	0	44	-1.0	-44.40	372.08	9.33	-35.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020277822	1	44	-1.0	-44.43	372.03	9.31	-35.12
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020277823	0	47	-1.0	-43.03	382.62	9.09	-33.94
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020277823	1	47	-1.0	-43.00	382.68	9.10	-33.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020277824	0	44	-1.0	-44.80	373.69	8.98	-35.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020277824	1	44	-1.0	-44.76	373.87	8.95	-35.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020277825	0	55	-1.0	-39.84	414.68	9.51	-30.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020277825	1	55	-1.0	-39.90	414.74	9.53	-30.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020277826	0	52	-1.0	-42.93	392.40	8.73	-34.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020277826	1	52	-1.0	-42.97	392.34	8.70	-34.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020277827	0	50	-1.0	-40.98	409.40	9.92	-31.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020277827	1	50	-1.0	-40.99	409.44	9.94	-31.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020277828	0	47	-1.0	-47.85	379.31	8.85	-39.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020277828	1	47	-1.0	-47.83	379.26	8.82	-39.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020277829	0	55	-1.0	-40.30	422.07	10.01	-30.29
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020277829	1	55	-1.0	-40.31	422.13	10.03	-30.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020277830	0	52	-1.0	-45.39	391.81	9.62	-35.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020277830	1	52	-1.0	-45.38	391.75	9.60	-35.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020277831	0	53	-1.0	-44.76	403.65	7.25	-37.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020277831	1	53	-1.0	-44.68	403.72	7.27	-37.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020277832	0	50	-1.0	-43.07	389.95	7.51	-35.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020277832	1	50	-1.0	-43.05	389.90	7.49	-35.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020277833	0	50	-1.0	-43.50	411.97	6.77	-36.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020277833	1	50	-1.0	-43.45	411.91	6.76	-36.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020277834	0	47	-1.0	-46.40	368.49	4.95	-41.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020277834	1	47	-1.0	-46.36	368.44	4.92	-41.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020277835	0	50	-1.0	-40.35	412.38	9.98	-30.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020277835	1	50	-1.0	-40.33	412.43	10.00	-30.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020277836	0	47	-1.0	-41.68	391.57	8.91	-32.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020277836	1	47	-1.0	-41.64	391.63	8.94	-32.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020277837	0	50	-1.0	-40.55	413.69	10.48	-30.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020277837	1	50	-1.0	-40.59	413.75	10.49	-30.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020277838	0	47	-1.0	-43.41	392.14	9.74	-33.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020277838	1	47	-1.0	-43.39	392.03	9.71	-33.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC	REAL300020277839	0	45	-1.0	-39.83	356.12	6.76	-33.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC	REAL300020277839	1	45	-1.0	-39.87	356.18	6.77	-33.10
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCC	REAL300020277840	0	49	-1.0	-41.93	388.66	8.79	-33.14
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCC	REAL300020277840	1	49	-1.0	-41.89	388.72	8.78	-33.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020277841	0	54	-1.0	-45.99	431.88	7.56	-38.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020277841	1	54	-1.0	-45.98	431.93	7.57	-38.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020277842	0	51	-1.0	-47.49	408.98	7.33	-40.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020277842	1	51	-1.0	-47.56	408.70	7.36	-40.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020277843	0	48	-1.0	-43.90	394.26	5.62	-38.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020277843	1	48	-1.0	-43.91	394.32	5.64	-38.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020277844	0	45	-1.0	-46.75	365.82	4.79	-41.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020277844	1	45	-1.0	-46.77	365.77	4.77	-42.00
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020277845	0	52	-1.0	-45.43	418.36	7.53	-37.90
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020277845	1	52	-1.0	-45.43	418.47	7.52	-37.91
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C(C)OCC)=NO1	REAL300020277846	0	51	-1.0	-43.45	421.31	4.95	-38.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C(C)OCC)=NO1	REAL300020277846	1	51	-1.0	-43.43	421.36	4.96	-38.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020277847	0	57	-1.0	-43.17	434.94	8.88	-34.29
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020277847	1	57	-1.0	-43.14	434.99	8.89	-34.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020277848	0	54	-1.0	-45.35	413.62	8.08	-37.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020277848	1	54	-1.0	-45.31	413.68	8.10	-37.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020277849	0	58	0.0	-69.17	432.57	9.82	-59.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020277849	1	58	0.0	-69.59	444.85	9.97	-59.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020277849	1	58	0.0	-69.17	432.63	9.84	-59.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020277849	1	58	0.0	-69.59	444.91	9.98	-59.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020277850	0	55	0.0	-67.56	415.94	9.20	-58.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020277850	1	55	0.0	-70.36	413.07	9.46	-60.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020277850	1	55	0.0	-67.55	416.00	9.23	-58.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020277850	1	55	0.0	-70.41	413.13	9.49	-60.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCCOC)C1	REAL300020277851	0	54	-1.0	-41.52	429.85	6.30	-35.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCCOC)C1	REAL300020277851	1	54	-1.0	-41.54	429.90	6.32	-35.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCCOC)C1	REAL300020277852	0	51	-1.0	-45.99	390.12	4.67	-41.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCCOC)C1	REAL300020277852	1	51	-1.0	-46.03	390.17	4.69	-41.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020277853	0	59	-1.0	-39.67	422.78	11.14	-28.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020277853	1	59	-1.0	-39.69	422.84	11.16	-28.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020277854	0	56	-1.0	-42.63	400.51	10.33	-32.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020277854	1	56	-1.0	-42.64	400.59	10.36	-32.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020277855	0	51	-1.0	-43.64	423.37	10.72	-32.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020277855	1	51	-1.0	-43.67	423.43	10.75	-32.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020277856	0	50	-1.0	-42.55	419.07	10.45	-32.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020277856	1	50	-1.0	-42.55	419.13	10.48	-32.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020277857	0	56	-1.0	-40.50	437.73	11.47	-29.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020277857	1	56	-1.0	-40.53	437.79	11.48	-29.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020277858	0	53	-1.0	-44.00	410.83	11.08	-32.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020277858	1	53	-1.0	-44.06	410.88	11.09	-32.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020277859	0	52	-1.0	-45.18	418.54	8.96	-36.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020277859	1	52	-1.0	-45.16	418.60	8.99	-36.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020277860	0	54	-1.0	-51.02	417.58	7.61	-43.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020277860	1	54	-1.0	-51.00	417.64	7.64	-43.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020277861	0	51	-1.0	-53.95	393.99	7.59	-46.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020277861	1	51	-1.0	-53.85	393.68	7.58	-46.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020277862	0	52	-1.0	-41.09	407.41	7.31	-33.78
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020277862	1	52	-1.0	-41.12	407.47	7.32	-33.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020277863	0	49	-1.0	-41.69	391.30	6.56	-35.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020277863	1	49	-1.0	-41.67	391.23	6.54	-35.13
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC(C)(C)C	REAL300020277864	0	56	-1.0	-42.63	435.19	9.34	-33.29
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC(C)(C)C	REAL300020277864	1	56	-1.0	-42.63	435.24	9.33	-33.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020277865	0	48	-1.0	-44.26	399.16	8.05	-36.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020277865	1	48	-1.0	-44.24	399.11	8.04	-36.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020277866	0	57	-1.0	-40.43	393.20	8.30	-32.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020277866	1	57	-1.0	-40.39	393.26	8.31	-32.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020277867	0	54	-1.0	-44.98	395.60	8.75	-36.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020277867	1	54	-1.0	-45.05	395.80	8.76	-36.29
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCC)CC1	REAL300020277868	0	56	-1.0	-44.18	441.24	7.52	-36.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCC)CC1	REAL300020277868	1	56	-1.0	-44.13	441.29	7.54	-36.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCC)CC1	REAL300020277869	0	53	-1.0	-44.44	427.40	6.31	-38.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCC)CC1	REAL300020277869	1	53	-1.0	-44.45	427.46	6.34	-38.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020277870	0	50	-1.0	-49.87	399.56	5.68	-44.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020277870	1	50	-1.0	-49.85	399.61	5.69	-44.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020277871	0	47	-1.0	-51.08	383.18	4.65	-46.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020277871	1	47	-1.0	-51.08	383.12	4.63	-46.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020277872	0	51	-1.0	-47.16	397.56	3.13	-44.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020277872	1	51	-1.0	-47.19	397.61	3.15	-44.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020277873	0	48	-1.0	-49.58	365.28	2.93	-46.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020277873	1	48	-1.0	-49.67	365.35	2.94	-46.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020277874	0	51	-1.0	-48.33	400.32	5.38	-42.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020277874	1	51	-1.0	-48.39	400.38	5.40	-42.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020277875	0	48	-1.0	-51.29	370.16	4.93	-46.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020277875	1	48	-1.0	-51.28	370.24	4.94	-46.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020277876	0	49	-1.0	-47.26	391.06	5.46	-41.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020277876	1	49	-1.0	-47.27	391.12	5.48	-41.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020277877	0	46	-1.0	-48.66	368.70	4.76	-43.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020277877	1	46	-1.0	-48.68	368.64	4.74	-43.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020277878	0	53	-1.0	-46.88	418.04	6.31	-40.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020277878	1	53	-1.0	-46.88	418.09	6.33	-40.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020277879	0	50	-1.0	-52.10	395.23	5.53	-46.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020277879	1	50	-1.0	-52.10	395.29	5.56	-46.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020277880	0	53	-1.0	-46.98	410.74	5.98	-41.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020277880	1	53	-1.0	-46.93	410.79	6.01	-40.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020277881	0	55	-1.0	-47.94	424.78	6.45	-41.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020277881	1	55	-1.0	-47.95	424.83	6.47	-41.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(=O)NC	REAL300020277882	0	49	-1.0	-44.82	398.95	5.20	-39.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(=O)NC	REAL300020277882	1	49	-1.0	-44.84	399.01	5.21	-39.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(=O)NC	REAL300020277883	0	46	-1.0	-47.84	372.14	4.79	-43.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(=O)NC	REAL300020277883	1	46	-1.0	-47.79	372.10	4.77	-43.02
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC(=O)NC	REAL300020277884	0	53	-1.0	-46.45	426.74	7.24	-39.21
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC(=O)NC	REAL300020277884	1	53	-1.0	-46.37	426.78	7.23	-39.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020277885	0	49	-1.0	-47.87	390.60	4.79	-43.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020277885	1	49	-1.0	-47.88	390.67	4.80	-43.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020277886	0	56	-1.0	-48.31	447.17	7.30	-41.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020277886	1	56	-1.0	-48.38	447.23	7.32	-41.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020277887	0	53	-1.0	-48.69	432.38	6.45	-42.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020277887	1	53	-1.0	-48.70	432.44	6.48	-42.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020277888	0	53	-1.0	-43.28	428.39	5.32	-37.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020277888	1	53	-1.0	-43.25	428.45	5.33	-37.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020277889	0	50	-1.0	-47.10	403.79	4.93	-42.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020277889	1	50	-1.0	-47.05	403.84	4.95	-42.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020277890	0	50	-1.0	-53.50	397.24	5.32	-48.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020277890	1	50	-1.0	-53.49	397.30	5.34	-48.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020277891	0	47	-1.0	-48.74	375.56	4.54	-44.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020277891	1	47	-1.0	-48.75	375.50	4.51	-44.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020277892	0	48	-1.0	-48.06	386.68	4.27	-43.79
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020277892	1	48	-1.0	-48.09	386.74	4.29	-43.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020277893	0	45	-1.0	-46.91	352.81	2.68	-44.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020277893	1	45	-1.0	-46.87	352.75	2.65	-44.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020277894	0	49	-1.0	-47.80	394.11	5.60	-42.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020277894	1	49	-1.0	-47.79	394.17	5.61	-42.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020277895	0	46	-1.0	-50.55	375.74	4.33	-46.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020277895	1	46	-1.0	-50.55	375.69	4.30	-46.25
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020277896	0	53	-1.0	-52.08	421.63	7.29	-44.79
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020277896	1	53	-1.0	-52.12	421.66	7.28	-44.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020277897	0	49	-1.0	-49.03	391.28	4.68	-44.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020277897	1	49	-1.0	-49.07	391.34	4.70	-44.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020277898	0	46	-1.0	-50.94	356.10	3.64	-47.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020277898	1	46	-1.0	-50.97	356.16	3.67	-47.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020277899	0	47	-1.0	-46.30	375.98	4.21	-42.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020277899	1	47	-1.0	-46.32	376.04	4.23	-42.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020277900	0	44	-1.0	-48.60	349.53	3.96	-44.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020277900	1	44	-1.0	-48.58	349.51	3.95	-44.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020277901	0	49	-1.0	-49.35	375.24	3.21	-46.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020277901	1	49	-1.0	-49.35	375.29	3.24	-46.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020277902	0	46	-1.0	-49.05	352.27	2.82	-46.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020277902	1	46	-1.0	-49.04	352.23	2.82	-46.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020277903	0	52	-1.0	-43.35	418.49	5.92	-37.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020277903	1	52	-1.0	-43.33	418.55	5.94	-37.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020277904	0	49	-1.0	-44.75	403.76	5.09	-39.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020277904	1	49	-1.0	-44.75	403.69	5.07	-39.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020277905	0	47	-1.0	-45.86	396.55	5.21	-40.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020277905	1	47	-1.0	-45.83	396.61	5.24	-40.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020277906	0	49	-1.0	-44.90	396.11	5.06	-39.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020277906	1	49	-1.0	-44.88	396.16	5.08	-39.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020277907	0	46	-1.0	-45.49	375.19	3.83	-41.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020277907	1	46	-1.0	-45.52	375.13	3.80	-41.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020277908	0	46	-1.0	-39.61	379.94	8.29	-31.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020277908	1	46	-1.0	-39.64	380.00	8.30	-31.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020277909	0	43	-1.0	-42.51	353.28	8.44	-34.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020277909	1	43	-1.0	-42.48	353.34	8.45	-34.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020277910	0	40	-1.0	-42.45	338.28	6.87	-35.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020277910	1	40	-1.0	-42.47	338.34	6.88	-35.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020277911	0	37	-1.0	-46.96	306.21	6.36	-40.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020277911	1	37	-1.0	-46.97	306.15	6.35	-40.62
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020277912	0	44	-1.0	-44.50	372.41	8.99	-35.51
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020277912	1	44	-1.0	-44.47	372.51	8.99	-35.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020277913	0	55	0.0	-71.97	418.70	7.82	-64.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020277913	1	55	0.0	-72.01	418.76	7.84	-64.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020277914	0	52	0.0	-72.22	391.64	7.67	-64.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020277914	1	52	0.0	-72.23	391.72	7.70	-64.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020277915	0	50	-1.0	-45.31	399.67	7.15	-38.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020277915	1	50	-1.0	-45.32	399.73	7.16	-38.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020277916	0	47	-1.0	-50.20	363.00	6.00	-44.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020277916	1	47	-1.0	-50.21	362.94	5.98	-44.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020277917	0	52	-1.0	-42.16	400.08	4.50	-37.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020277917	1	52	-1.0	-42.17	400.13	4.52	-37.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020277918	0	49	-1.0	-42.62	389.17	3.65	-38.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020277918	1	49	-1.0	-42.63	389.22	3.67	-38.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020277919	0	51	-1.0	-44.31	398.47	8.27	-36.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020277919	1	51	-1.0	-44.34	398.53	8.28	-36.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020277920	0	48	-1.0	-47.21	368.37	7.74	-39.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020277920	1	48	-1.0	-47.24	368.31	7.73	-39.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020277921	0	51	-1.0	-44.14	421.24	9.05	-35.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020277921	1	51	-1.0	-44.13	421.30	9.07	-35.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020277922	0	48	-1.0	-45.65	403.20	8.19	-37.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020277922	1	48	-1.0	-45.60	403.15	8.16	-37.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020277923	0	49	-1.0	-39.59	382.62	8.25	-31.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020277923	1	49	-1.0	-39.60	382.68	8.26	-31.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020277924	0	46	-1.0	-44.41	347.70	8.00	-36.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020277924	1	46	-1.0	-44.40	347.64	7.99	-36.41
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020277925	0	53	-1.0	-41.50	412.22	10.49	-31.01
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020277925	1	53	-1.0	-41.45	412.29	10.48	-30.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)OCC)CC1	REAL300020277926	0	54	-1.0	-47.19	421.27	7.94	-39.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)OCC)CC1	REAL300020277926	1	54	-1.0	-47.22	421.32	7.96	-39.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020277927	0	52	-1.0	-43.03	412.76	10.38	-32.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020277927	1	52	-1.0	-43.03	412.82	10.39	-32.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020277928	0	49	-1.0	-42.11	397.28	9.88	-32.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020277928	1	49	-1.0	-42.12	397.22	9.86	-32.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020277929	0	55	-1.0	-42.28	436.22	9.21	-33.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020277929	1	55	-1.0	-42.27	436.27	9.24	-33.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020277930	0	43	-1.0	-47.34	367.06	3.38	-43.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020277930	1	43	-1.0	-47.36	367.12	3.40	-43.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020277931	0	40	-1.0	-51.20	332.48	3.18	-48.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020277931	1	40	-1.0	-51.19	332.47	3.16	-48.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020277932	0	46	-1.0	-39.80	383.35	8.92	-30.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020277932	1	46	-1.0	-39.78	383.41	8.93	-30.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020277933	0	43	-1.0	-43.56	363.56	8.83	-34.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020277933	1	43	-1.0	-43.56	363.51	8.81	-34.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020277934	0	45	-1.0	-40.58	377.37	6.60	-33.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020277934	1	45	-1.0	-40.60	377.41	6.61	-33.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020277935	0	42	-1.0	-42.74	351.03	6.11	-36.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020277935	1	42	-1.0	-42.74	350.97	6.09	-36.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020277936	0	44	-1.0	-40.06	344.46	6.87	-33.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020277936	1	44	-1.0	-40.09	344.52	6.88	-33.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020277937	0	41	-1.0	-41.86	324.12	6.16	-35.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020277937	1	41	-1.0	-41.83	324.06	6.13	-35.70
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)C1	REAL300020277938	0	48	-1.0	-40.95	387.58	10.40	-30.55
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)C1	REAL300020277938	1	48	-1.0	-40.96	387.61	10.40	-30.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NC(C)=C(C)O2)CC1	REAL300020277939	0	54	-1.0	-47.31	430.42	4.06	-43.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NC(C)=C(C)O2)CC1	REAL300020277939	1	54	-1.0	-47.35	430.48	4.09	-43.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020277940	0	46	-1.0	-41.12	388.46	9.44	-31.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020277940	1	46	-1.0	-41.11	388.52	9.45	-31.66
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020277941	0	43	-1.0	-42.31	368.46	8.72	-33.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020277941	1	43	-1.0	-42.33	368.38	8.70	-33.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020277942	0	54	-1.0	-42.41	438.09	8.01	-34.40
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020277942	1	54	-1.0	-42.43	438.14	8.02	-34.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020277943	0	51	-1.0	-45.96	411.57	7.78	-38.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020277943	1	51	-1.0	-45.98	411.52	7.76	-38.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020277944	0	54	-1.0	-41.82	433.87	7.84	-33.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020277944	1	54	-1.0	-41.79	433.93	7.86	-33.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020277945	0	51	-1.0	-48.51	412.03	7.25	-41.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020277945	1	51	-1.0	-48.49	411.92	7.24	-41.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020277946	0	46	-1.0	-40.01	377.27	8.02	-31.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020277946	1	46	-1.0	-40.02	377.33	8.04	-31.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020277947	0	43	-1.0	-42.10	366.49	7.30	-34.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020277947	1	43	-1.0	-42.13	366.44	7.28	-34.85
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020277948	0	50	-1.0	-41.87	406.29	10.05	-31.82
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020277948	1	50	-1.0	-41.84	406.34	10.04	-31.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020277949	0	46	-1.0	-42.33	394.49	9.37	-32.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020277949	1	46	-1.0	-42.38	394.55	9.39	-32.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020277950	0	43	-1.0	-44.01	370.69	8.70	-35.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020277950	1	43	-1.0	-44.03	370.63	8.67	-35.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020277951	0	46	-1.0	-42.53	391.77	9.56	-32.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020277951	1	46	-1.0	-42.60	391.58	9.59	-33.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020277952	0	52	-1.0	-51.25	410.79	6.72	-44.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020277952	1	52	-1.0	-51.30	410.84	6.74	-44.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020277953	0	51	-1.0	-48.35	410.34	8.83	-39.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020277953	1	51	-1.0	-48.34	410.40	8.86	-39.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020277954	0	46	-1.0	-39.10	396.78	9.62	-29.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020277954	1	46	-1.0	-39.09	396.84	9.64	-29.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020277955	0	43	-1.0	-41.86	367.74	9.40	-32.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020277955	1	43	-1.0	-41.85	367.69	9.40	-32.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020277956	0	43	-1.0	-41.16	386.15	9.26	-31.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020277956	1	43	-1.0	-41.18	386.21	9.28	-31.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020277957	0	47	-1.0	-42.10	396.29	9.35	-32.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020277957	1	47	-1.0	-42.05	396.35	9.37	-32.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020277958	0	47	-1.0	-52.01	372.19	3.97	-48.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020277958	1	47	-1.0	-52.08	372.24	3.98	-48.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020277959	0	44	-1.0	-56.28	348.00	3.72	-52.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020277959	1	44	-1.0	-56.24	347.94	3.70	-52.54
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020277960	0	51	-1.0	-52.18	415.03	6.25	-45.93
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020277960	1	51	-1.0	-52.11	415.06	6.23	-45.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020277961	0	43	-1.0	-40.39	353.46	7.22	-33.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020277961	1	43	-1.0	-40.37	353.51	7.24	-33.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020277962	0	40	-1.0	-42.36	337.02	6.55	-35.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020277962	1	40	-1.0	-42.31	336.96	6.52	-35.79
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CO1	REAL300020277963	0	47	-1.0	-41.96	384.37	9.22	-32.74
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CO1	REAL300020277963	1	47	-1.0	-41.98	384.43	9.22	-32.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020277964	0	52	-1.0	-43.47	415.57	8.13	-35.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020277964	1	52	-1.0	-43.49	415.63	8.15	-35.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020277965	0	49	-1.0	-44.89	396.47	8.04	-36.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020277965	1	49	-1.0	-44.86	396.41	8.04	-36.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020277966	0	55	0.0	-68.30	419.47	9.41	-58.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020277966	1	55	0.0	-68.31	419.52	9.43	-58.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020277967	0	52	0.0	-64.01	402.07	8.48	-55.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020277967	1	52	0.0	-64.01	402.13	8.51	-55.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020277968	0	53	-1.0	-41.34	387.56	8.87	-32.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020277968	1	53	-1.0	-41.36	387.62	8.88	-32.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020277969	0	50	-1.0	-45.00	366.06	8.12	-36.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020277969	1	50	-1.0	-44.99	366.00	8.09	-36.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020277970	0	56	-1.0	-40.88	432.31	6.38	-34.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020277970	1	56	-1.0	-40.87	432.37	6.40	-34.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020277970	1	57	0.0	-68.19	433.04	8.21	-59.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020277971	0	53	-1.0	-44.55	402.94	5.94	-38.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020277971	1	53	-1.0	-44.53	403.02	5.96	-38.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020277971	1	54	0.0	-68.42	407.48	7.82	-60.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020277972	0	55	-1.0	-45.54	431.85	8.78	-36.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020277972	1	56	0.0	-68.09	440.02	10.54	-57.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020277972	1	55	-1.0	-45.59	431.93	8.79	-36.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020277973	0	50	-1.0	-46.51	407.70	5.75	-40.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020277973	1	50	-1.0	-46.55	407.77	5.76	-40.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020277974	0	47	-1.0	-46.89	386.50	5.68	-41.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020277974	1	47	-1.0	-46.92	386.46	5.66	-41.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020277975	0	49	-1.0	-66.35	397.97	6.21	-60.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020277975	1	49	-1.0	-66.33	397.93	6.20	-60.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020277976	0	58	0.0	-66.82	425.85	9.64	-57.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020277976	1	58	0.0	-66.86	425.91	9.66	-57.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020277977	0	55	0.0	-65.48	409.94	8.53	-56.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020277977	1	55	0.0	-65.50	410.01	8.55	-56.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020277978	0	54	-1.0	-42.16	433.08	9.64	-32.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020277978	1	54	-1.0	-42.18	433.14	9.66	-32.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)CC1	REAL300020277979	0	49	-1.0	-39.58	380.29	8.91	-30.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)CC1	REAL300020277979	1	49	-1.0	-39.55	380.34	8.92	-30.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)CC1	REAL300020277980	0	46	-1.0	-42.58	353.38	9.03	-33.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)CC1	REAL300020277980	1	46	-1.0	-42.61	353.35	9.01	-33.60
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)CC1	REAL300020277981	0	53	-1.0	-40.91	415.83	10.81	-30.10
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)CC1	REAL300020277981	1	53	-1.0	-40.90	415.85	10.79	-30.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020277982	0	46	-1.0	-45.73	385.77	6.97	-38.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020277982	1	46	-1.0	-45.73	385.71	6.95	-38.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020277983	0	43	-1.0	-49.36	352.09	7.03	-42.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020277983	1	43	-1.0	-49.33	352.04	7.02	-42.31
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1C=CC=N1	REAL300020277984	0	50	-1.0	-47.67	408.14	9.08	-38.59
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1C=CC=N1	REAL300020277984	1	50	-1.0	-47.70	408.13	9.09	-38.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020277985	0	57	0.0	-69.37	426.37	8.08	-61.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020277985	1	57	0.0	-69.38	426.43	8.10	-61.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020277986	0	50	-1.0	-40.86	389.43	6.98	-33.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020277986	1	50	-1.0	-40.86	389.49	7.00	-33.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020277987	0	47	-1.0	-41.53	379.16	6.52	-35.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020277987	1	47	-1.0	-41.49	379.10	6.49	-35.00
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020277988	0	54	-1.0	-40.86	433.56	9.04	-31.82
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020277988	1	54	-1.0	-40.88	433.58	9.01	-31.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020277989	0	56	-1.0	-39.88	411.45	10.25	-29.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020277989	1	56	-1.0	-39.88	411.50	10.27	-29.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020277990	0	53	-1.0	-41.58	394.50	9.45	-32.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020277990	1	53	-1.0	-41.58	394.56	9.48	-32.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020277991	0	53	0.0	-66.07	408.73	9.27	-56.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020277991	1	52	-1.0	-39.87	405.79	7.10	-32.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020277991	1	52	-1.0	-39.89	405.84	7.11	-32.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020277992	0	50	0.0	-63.59	387.59	8.57	-55.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020277992	1	50	0.0	-63.54	387.53	8.54	-55.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020277992	1	49	-1.0	-42.60	385.36	6.39	-36.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020277993	0	52	-1.0	-43.70	421.48	6.25	-37.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020277993	1	52	-1.0	-43.71	421.42	6.24	-37.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020277994	0	49	-1.0	-48.90	391.82	5.67	-43.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020277994	1	49	-1.0	-48.92	391.76	5.65	-43.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020277995	0	62	0.0	-66.88	452.49	10.98	-55.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020277995	1	62	0.0	-66.88	452.56	10.99	-55.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020277996	0	59	0.0	-63.37	434.89	9.65	-53.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020277996	1	59	0.0	-63.39	434.95	9.67	-53.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COCC)C1	REAL300020277997	0	53	-1.0	-40.69	411.28	7.95	-32.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COCC)C1	REAL300020277997	1	53	-1.0	-40.76	411.34	7.96	-32.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COCC)C1	REAL300020277998	0	50	-1.0	-44.37	395.48	7.68	-36.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COCC)C1	REAL300020277998	1	50	-1.0	-44.36	395.35	7.66	-36.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020277999	0	47	-1.0	-49.77	396.38	2.25	-47.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020277999	1	47	-1.0	-49.77	396.44	2.27	-47.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020278000	0	44	-1.0	-51.39	381.41	1.38	-50.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020278000	1	44	-1.0	-51.35	381.46	1.41	-49.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020278001	0	56	-1.0	-40.93	429.18	11.26	-29.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020278001	1	56	-1.0	-40.90	429.23	11.28	-29.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020278002	0	53	-1.0	-46.75	385.08	10.00	-36.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020278002	1	53	-1.0	-46.71	384.99	9.98	-36.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020278003	0	49	-1.0	-42.17	406.40	7.50	-34.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020278003	1	49	-1.0	-42.23	406.36	7.50	-34.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020278004	0	46	-1.0	-44.14	375.90	7.54	-36.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020278004	1	46	-1.0	-44.06	375.85	7.52	-36.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020278005	0	49	-1.0	-39.70	382.95	8.86	-30.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020278005	1	49	-1.0	-39.77	383.01	8.88	-30.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020278006	0	46	-1.0	-44.08	332.38	7.40	-36.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020278006	1	46	-1.0	-44.07	332.32	7.38	-36.69
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020278007	0	53	-1.0	-42.27	389.57	9.79	-32.48
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020278007	1	53	-1.0	-42.19	389.60	9.78	-32.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020278008	0	53	-1.0	-41.28	426.61	11.20	-30.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020278008	1	53	-1.0	-41.28	426.67	11.22	-30.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020278009	0	50	-1.0	-44.14	405.24	10.45	-33.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020278009	1	50	-1.0	-44.14	405.31	10.47	-33.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020278010	0	48	-1.0	-45.61	379.51	6.55	-39.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020278010	1	48	-1.0	-45.65	379.57	6.56	-39.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020278011	0	45	-1.0	-50.47	363.46	6.02	-44.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020278011	1	45	-1.0	-50.42	363.40	5.99	-44.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020278012	0	50	-1.0	-44.75	419.09	6.97	-37.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020278012	1	50	-1.0	-44.68	419.04	6.96	-37.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020278013	0	47	-1.0	-44.57	388.71	6.62	-37.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020278013	1	47	-1.0	-44.57	388.65	6.61	-37.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020278014	0	49	-1.0	-43.81	381.28	7.25	-36.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020278014	1	49	-1.0	-43.85	381.34	7.26	-36.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020278015	0	46	-1.0	-50.29	369.94	8.28	-42.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020278015	1	46	-1.0	-50.30	369.88	8.27	-42.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020278016	0	54	-1.0	-40.71	412.92	8.56	-32.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020278016	1	54	-1.0	-40.74	412.99	8.56	-32.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020278017	0	51	-1.0	-42.82	414.87	8.54	-34.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020278017	1	51	-1.0	-42.83	414.93	8.57	-34.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020278018	0	54	-1.0	-46.43	432.05	9.92	-36.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020278018	1	54	-1.0	-46.52	432.16	9.94	-36.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020278019	0	50	-1.0	-42.92	398.66	6.78	-36.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020278019	1	50	-1.0	-42.96	398.71	6.79	-36.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020278020	0	47	-1.0	-43.02	368.02	6.80	-36.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020278020	1	47	-1.0	-43.00	367.97	6.77	-36.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020278021	0	53	-1.0	-40.27	401.95	7.47	-32.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020278021	1	53	-1.0	-40.26	402.01	7.48	-32.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020278022	0	50	-1.0	-41.99	387.59	6.92	-35.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020278022	1	50	-1.0	-42.01	387.53	6.90	-35.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020278023	0	54	-1.0	-41.20	414.38	8.15	-33.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020278023	1	54	-1.0	-41.21	414.44	8.16	-33.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020278024	0	51	-1.0	-42.97	394.86	7.63	-35.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020278024	1	51	-1.0	-42.97	394.92	7.64	-35.33
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020278025	0	50	-1.0	-44.19	386.63	6.04	-38.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020278025	1	50	-1.0	-44.21	386.70	6.05	-38.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020278026	0	47	-1.0	-47.63	368.69	5.33	-42.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020278026	1	47	-1.0	-47.66	368.74	5.36	-42.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020278027	0	53	-1.0	-39.61	430.55	10.69	-28.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020278027	1	53	-1.0	-39.55	430.61	10.71	-28.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020278028	0	50	-1.0	-43.30	400.49	10.37	-32.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020278028	1	50	-1.0	-43.29	400.44	10.35	-32.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020278029	0	47	-1.0	-47.37	383.19	8.48	-38.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020278029	1	47	-1.0	-47.36	383.25	8.50	-38.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020278030	0	44	-1.0	-50.63	359.06	7.69	-42.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020278030	1	44	-1.0	-50.61	359.02	7.66	-42.95
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020278031	0	51	-1.0	-49.13	419.33	10.54	-38.59
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020278031	1	51	-1.0	-49.10	419.38	10.54	-38.56
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CC)C1	REAL300020278032	0	52	-1.0	-39.72	397.31	9.34	-30.38
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CC)C1	REAL300020278032	1	52	-1.0	-39.76	397.37	9.36	-30.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CC)C1	REAL300020278033	0	49	-1.0	-42.08	373.67	8.35	-33.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CC)C1	REAL300020278033	1	49	-1.0	-42.06	373.61	8.33	-33.73
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(CC)C1	REAL300020278034	0	56	-1.0	-42.13	418.10	11.26	-30.87
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(CC)C1	REAL300020278034	1	56	-1.0	-42.07	418.14	11.25	-30.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020278035	0	52	-1.0	-40.14	425.35	10.50	-29.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020278035	1	52	-1.0	-40.19	425.41	10.52	-29.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020278036	0	49	-1.0	-44.19	396.83	10.22	-33.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020278036	1	49	-1.0	-44.17	396.78	10.21	-33.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020278037	0	49	-1.0	-42.53	395.66	8.06	-34.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020278037	1	49	-1.0	-42.52	395.72	8.08	-34.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020278038	0	46	-1.0	-42.83	381.36	7.20	-35.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020278038	1	46	-1.0	-42.85	381.30	7.18	-35.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020278039	0	53	-1.0	-41.38	398.42	9.92	-31.46
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020278039	1	53	-1.0	-41.42	398.48	9.94	-31.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020278040	0	50	-1.0	-45.67	374.73	9.69	-35.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020278040	1	50	-1.0	-45.65	374.67	9.68	-35.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020278041	0	44	-1.0	-43.23	360.56	5.15	-38.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020278041	1	44	-1.0	-43.24	360.62	5.16	-38.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020278042	0	41	-1.0	-43.35	333.58	4.93	-38.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020278042	1	41	-1.0	-43.37	333.54	4.91	-38.46
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020278043	0	48	-1.0	-44.12	390.86	7.43	-36.69
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020278043	1	48	-1.0	-44.06	390.90	7.42	-36.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC)C1	REAL300020278044	0	50	-1.0	-43.20	390.77	7.30	-35.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC)C1	REAL300020278044	1	50	-1.0	-43.25	390.83	7.32	-35.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC)C1	REAL300020278045	0	47	-1.0	-46.89	368.23	7.03	-39.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC)C1	REAL300020278045	1	47	-1.0	-46.90	368.16	7.01	-39.89
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OCC)C1	REAL300020278046	0	54	-1.0	-43.65	429.46	9.47	-34.18
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OCC)C1	REAL300020278046	1	54	-1.0	-43.59	429.55	9.45	-34.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020278047	0	47	-1.0	-42.73	399.57	8.17	-34.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020278047	1	47	-1.0	-42.74	399.52	8.14	-34.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020278048	0	53	0.0	-69.08	408.79	9.47	-59.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020278048	1	53	0.0	-69.10	408.84	9.49	-59.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020278049	0	50	0.0	-64.91	386.25	8.71	-56.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020278049	1	50	0.0	-64.90	386.19	8.69	-56.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020278050	0	47	-1.0	-49.21	387.73	7.48	-41.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020278050	1	47	-1.0	-49.19	387.80	7.49	-41.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020278051	0	60	-1.0	-42.34	421.11	9.77	-32.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020278051	1	60	-1.0	-42.35	421.17	9.79	-32.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020278052	0	57	-1.0	-42.47	403.33	9.09	-33.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020278052	1	57	-1.0	-42.49	403.42	9.11	-33.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020278053	0	48	-1.0	-40.32	390.15	7.82	-32.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020278053	1	48	-1.0	-40.32	390.21	7.84	-32.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020278054	0	45	-1.0	-41.88	364.69	7.12	-34.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020278054	1	45	-1.0	-41.89	364.63	7.10	-34.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020278055	0	48	-1.0	-49.51	393.90	9.88	-39.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020278055	1	48	-1.0	-49.50	393.96	9.90	-39.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020278056	0	45	-1.0	-55.75	367.27	9.61	-46.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020278056	1	45	-1.0	-55.78	367.24	9.58	-46.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020278057	0	52	-1.0	-43.47	425.75	9.63	-33.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020278057	1	52	-1.0	-43.43	425.82	9.65	-33.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020278058	0	49	-1.0	-44.71	407.64	9.25	-35.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020278058	1	49	-1.0	-44.62	407.81	9.23	-35.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020278059	0	54	-1.0	-42.35	428.40	9.72	-32.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020278059	1	54	-1.0	-42.37	428.47	9.74	-32.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020278060	0	51	-1.0	-43.88	414.23	9.15	-34.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020278060	1	51	-1.0	-43.89	414.28	9.18	-34.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020278061	0	52	-1.0	-48.81	421.27	5.95	-42.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020278061	1	52	-1.0	-48.85	421.33	5.97	-42.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020278062	0	49	-1.0	-48.79	403.88	4.64	-44.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020278062	1	49	-1.0	-48.79	403.94	4.66	-44.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020278063	0	45	-1.0	-42.34	389.51	6.87	-35.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020278063	1	45	-1.0	-42.32	389.56	6.88	-35.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020278064	0	42	-1.0	-44.68	369.30	6.17	-38.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020278064	1	42	-1.0	-44.72	369.25	6.14	-38.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020278065	0	49	-1.0	-42.14	415.98	10.41	-31.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020278065	1	49	-1.0	-42.15	416.04	10.43	-31.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020278066	0	46	-1.0	-44.06	393.94	9.68	-34.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020278066	1	46	-1.0	-44.09	393.88	9.65	-34.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OCC)CC1	REAL300020278067	0	55	-1.0	-41.96	427.37	9.21	-32.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OCC)CC1	REAL300020278067	1	55	-1.0	-41.91	427.43	9.22	-32.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OCC)CC1	REAL300020278068	0	52	-1.0	-44.86	407.77	8.82	-36.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OCC)CC1	REAL300020278068	1	52	-1.0	-44.86	407.81	8.85	-36.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020278069	0	56	-1.0	-40.34	446.26	9.90	-30.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020278069	1	56	-1.0	-40.32	446.32	9.91	-30.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020278070	0	53	-1.0	-43.45	420.84	9.83	-33.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020278070	1	53	-1.0	-43.46	420.79	9.81	-33.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020278071	0	47	-1.0	-41.48	389.38	9.38	-32.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020278071	1	47	-1.0	-41.50	389.43	9.39	-32.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020278072	0	44	-1.0	-45.14	364.58	9.35	-35.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020278072	1	44	-1.0	-45.19	364.52	9.34	-35.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020278073	0	51	-1.0	-43.43	366.06	5.84	-37.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020278073	1	51	-1.0	-43.41	366.10	5.85	-37.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020278074	0	48	-1.0	-45.79	349.87	5.21	-40.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020278074	1	48	-1.0	-45.79	349.81	5.18	-40.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020278075	0	58	-1.0	-41.12	428.11	5.74	-35.38
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020278075	1	58	-1.0	-41.08	428.17	5.76	-35.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020278075	1	59	0.0	-66.83	429.10	7.90	-58.93
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020278075	1	59	0.0	-67.58	448.95	8.33	-59.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020278076	0	55	-1.0	-42.16	427.37	5.22	-36.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020278076	1	55	-1.0	-42.17	427.43	5.25	-36.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020278076	1	56	0.0	-64.99	422.14	7.46	-57.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020278076	1	56	0.0	-66.70	427.75	7.29	-59.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020278077	0	56	-1.0	-40.18	428.00	5.18	-35.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020278077	1	56	-1.0	-40.17	428.06	5.19	-34.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020278077	1	57	0.0	-64.21	427.25	7.56	-56.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020278078	0	53	-1.0	-44.28	394.83	6.13	-38.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020278078	1	53	-1.0	-44.24	394.83	6.14	-38.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020278078	1	54	0.0	-67.30	378.18	5.83	-61.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(C)C)C1	REAL300020278079	0	50	-1.0	-39.07	398.89	8.97	-30.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020278079	1	50	-1.0	-39.07	398.95	8.98	-30.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020278080	0	47	-1.0	-40.29	379.59	7.97	-32.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(C)C)C1	REAL300020278080	1	47	-1.0	-40.22	379.54	7.95	-32.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020278081	0	53	-1.0	-46.70	425.27	8.80	-37.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020278081	1	53	-1.0	-46.70	425.21	8.79	-37.91
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020278082	0	50	-1.0	-49.32	403.15	8.00	-41.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020278082	1	50	-1.0	-49.33	403.09	7.98	-41.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(CC)C1	REAL300020278083	0	56	-1.0	-46.00	400.93	10.74	-35.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(CC)C1	REAL300020278083	1	56	-1.0	-45.95	401.02	10.75	-35.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020278084	0	51	-1.0	-40.23	401.51	6.20	-34.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020278084	1	51	-1.0	-40.18	401.57	6.22	-33.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020278085	0	48	-1.0	-41.74	383.79	5.34	-36.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020278085	1	48	-1.0	-41.75	383.85	5.36	-36.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020278086	0	51	-1.0	-48.00	414.17	4.66	-43.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020278086	1	51	-1.0	-48.03	414.23	4.68	-43.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020278087	0	48	-1.0	-48.60	394.27	3.61	-44.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020278087	1	48	-1.0	-48.58	394.33	3.64	-44.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020278088	0	46	-1.0	-42.50	382.79	7.14	-35.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020278088	1	46	-1.0	-42.54	382.84	7.15	-35.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020278089	0	43	-1.0	-43.19	365.28	6.83	-36.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020278089	1	43	-1.0	-43.19	365.20	6.82	-36.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020278090	0	54	-1.0	-40.40	412.53	8.69	-31.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020278090	1	54	-1.0	-40.37	412.59	8.71	-31.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020278091	0	51	-1.0	-42.92	380.71	8.55	-34.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020278091	1	51	-1.0	-42.95	380.77	8.57	-34.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020278092	0	51	-1.0	-43.90	412.13	10.76	-33.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020278092	1	51	-1.0	-43.91	412.20	10.78	-33.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020278093	0	53	-1.0	-45.63	427.05	11.00	-34.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020278093	1	53	-1.0	-45.65	427.11	11.03	-34.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020278094	0	44	-1.0	-40.87	337.84	4.90	-35.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020278094	1	44	-1.0	-40.87	337.90	4.91	-35.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020278095	0	41	-1.0	-45.31	313.05	4.32	-40.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020278095	1	41	-1.0	-45.38	313.07	4.29	-41.09
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020278096	0	48	-1.0	-42.18	378.91	8.28	-33.90
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020278096	1	48	-1.0	-42.14	378.99	8.28	-33.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020278097	0	54	-1.0	-45.66	422.58	7.36	-38.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020278097	1	54	-1.0	-45.64	422.64	7.37	-38.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020278098	0	45	-1.0	-39.91	385.67	7.48	-32.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020278098	1	45	-1.0	-39.95	385.72	7.49	-32.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020278099	0	42	-1.0	-45.03	356.76	6.68	-38.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020278099	1	42	-1.0	-45.04	356.71	6.66	-38.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020278100	0	43	-1.0	-40.32	343.70	7.98	-32.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020278100	1	43	-1.0	-40.34	343.75	7.99	-32.35
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020278101	0	47	-1.0	-41.75	373.08	10.27	-31.48
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020278101	1	47	-1.0	-41.76	373.01	10.27	-31.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020278102	0	53	-1.0	-41.87	430.46	9.38	-32.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020278102	1	53	-1.0	-41.87	430.52	9.40	-32.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020278103	0	50	-1.0	-42.79	410.25	8.56	-34.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020278103	1	50	-1.0	-42.80	410.31	8.59	-34.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020278104	0	46	-1.0	-41.84	385.32	9.13	-32.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020278104	1	46	-1.0	-41.84	385.38	9.15	-32.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020278105	0	43	-1.0	-43.05	363.87	8.36	-34.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020278105	1	43	-1.0	-43.03	363.81	8.34	-34.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020278106	0	56	-1.0	-41.63	453.45	9.77	-31.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020278106	1	56	-1.0	-41.64	453.51	9.78	-31.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020278107	0	53	-1.0	-45.47	423.40	9.55	-35.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020278107	1	53	-1.0	-45.51	423.44	9.56	-35.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020278108	0	56	-1.0	-40.99	452.51	10.03	-30.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020278108	1	56	-1.0	-41.05	452.56	10.04	-31.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020278109	0	53	-1.0	-45.21	422.44	9.81	-35.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020278109	1	53	-1.0	-45.26	422.48	9.82	-35.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020278110	0	61	0.0	-68.44	452.50	10.50	-57.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020278110	1	61	0.0	-68.80	450.42	10.24	-58.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020278110	1	61	0.0	-68.44	452.56	10.52	-57.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020278110	1	61	0.0	-68.77	450.48	10.25	-58.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020278111	0	58	0.0	-69.89	427.92	10.50	-59.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020278111	1	58	0.0	-68.48	428.76	9.80	-58.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020278111	1	58	0.0	-69.86	428.04	10.52	-59.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020278111	1	58	0.0	-68.49	428.82	9.82	-58.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020278112	0	48	-1.0	-51.43	393.69	7.56	-43.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020278112	1	48	-1.0	-51.47	393.75	7.57	-43.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(C)C	REAL300020278113	0	48	-1.0	-40.35	378.40	8.15	-32.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(C)C	REAL300020278113	1	48	-1.0	-40.32	378.46	8.16	-32.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(C)C	REAL300020278114	0	45	-1.0	-41.60	361.46	7.24	-34.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(C)C	REAL300020278114	1	45	-1.0	-41.58	361.40	7.22	-34.36
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(C)C	REAL300020278115	0	52	-1.0	-42.36	402.81	10.13	-32.23
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(C)C	REAL300020278115	1	52	-1.0	-42.34	402.84	10.12	-32.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020278116	0	46	-1.0	-43.89	375.03	7.27	-36.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020278116	1	46	-1.0	-43.91	375.08	7.28	-36.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020278117	0	43	-1.0	-44.27	353.58	6.51	-37.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020278117	1	43	-1.0	-44.30	353.53	6.48	-37.82
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020278118	0	50	-1.0	-45.81	401.28	9.19	-36.62
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020278118	1	50	-1.0	-45.72	401.30	9.18	-36.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020278119	0	48	-1.0	-44.63	391.90	6.20	-38.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020278119	1	48	-1.0	-44.64	391.96	6.21	-38.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020278120	0	45	-1.0	-47.02	355.22	5.06	-41.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020278120	1	45	-1.0	-47.05	355.16	5.03	-42.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020278121	0	48	-1.0	-41.37	367.80	8.31	-33.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020278121	1	48	-1.0	-41.41	367.85	8.33	-33.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020278122	0	45	-1.0	-41.74	348.12	7.57	-34.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020278122	1	45	-1.0	-41.76	348.07	7.54	-34.22
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020278123	0	52	-1.0	-42.11	400.89	9.21	-32.90
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020278123	1	52	-1.0	-42.10	400.90	9.20	-32.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020278124	0	61	0.0	-70.08	457.33	10.43	-59.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020278124	1	61	0.0	-70.15	457.38	10.45	-59.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020278125	0	58	0.0	-66.24	440.07	9.44	-56.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020278125	1	58	0.0	-66.22	440.12	9.47	-56.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020278126	0	53	-1.0	-43.85	425.36	8.88	-34.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020278126	1	53	-1.0	-43.82	425.42	8.90	-34.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020278127	0	50	-1.0	-46.68	405.39	7.73	-38.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020278127	1	50	-1.0	-46.71	405.33	7.70	-39.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCCOC)C1	REAL300020278128	0	54	-1.0	-44.40	432.94	6.94	-37.46
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCCOC)C1	REAL300020278128	1	54	-1.0	-44.34	433.02	6.96	-37.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCOC)C1	REAL300020278129	0	51	-1.0	-48.44	402.10	6.28	-42.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCOC)C1	REAL300020278129	1	51	-1.0	-48.43	402.17	6.29	-42.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020278130	0	43	-1.0	-40.32	343.70	7.98	-32.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020278130	1	43	-1.0	-40.34	343.75	7.99	-32.35
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020278131	0	47	-1.0	-41.75	373.08	10.27	-31.48
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020278131	1	47	-1.0	-41.76	373.01	10.27	-31.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020278132	0	56	-1.0	-41.35	431.61	10.73	-30.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020278132	1	56	-1.0	-41.32	431.66	10.74	-30.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020278133	0	53	-1.0	-44.99	411.88	10.01	-34.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020278133	1	53	-1.0	-44.94	411.83	9.98	-34.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020278134	0	48	-1.0	-40.75	403.09	8.54	-32.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020278134	1	48	-1.0	-40.74	403.15	8.56	-32.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020278135	0	45	-1.0	-43.76	377.84	8.23	-35.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020278135	1	45	-1.0	-43.78	377.92	8.24	-35.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020278136	0	60	0.0	-65.18	450.21	10.72	-54.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020278136	1	60	0.0	-68.06	419.20	9.51	-58.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020278136	1	60	0.0	-65.17	450.27	10.73	-54.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020278136	1	60	0.0	-68.11	419.28	9.52	-58.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020278137	0	57	0.0	-72.31	395.79	8.89	-63.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020278137	1	57	0.0	-74.35	390.52	8.97	-65.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020278137	1	57	0.0	-72.29	395.83	8.89	-63.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020278137	1	57	0.0	-74.43	390.57	8.98	-65.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020278138	0	46	-1.0	-39.44	376.42	8.30	-31.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020278138	1	46	-1.0	-39.47	376.48	8.31	-31.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020278139	0	43	-1.0	-41.53	356.21	7.60	-33.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020278139	1	43	-1.0	-41.57	356.16	7.57	-34.00
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020278140	0	50	-1.0	-42.09	396.31	10.35	-31.74
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020278140	1	50	-1.0	-42.11	396.37	10.34	-31.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020278141	0	54	-1.0	-42.64	425.81	7.05	-35.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020278141	1	54	-1.0	-42.63	425.87	7.06	-35.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020278142	0	51	-1.0	-46.77	405.14	6.63	-40.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020278142	1	51	-1.0	-46.81	405.18	6.65	-40.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC	REAL300020278143	0	46	-1.0	-40.63	373.01	5.94	-34.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC	REAL300020278143	1	46	-1.0	-40.62	373.07	5.95	-34.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC	REAL300020278144	0	43	-1.0	-41.94	358.28	5.11	-36.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC	REAL300020278144	1	43	-1.0	-41.95	358.22	5.08	-36.87
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCOC	REAL300020278145	0	50	-1.0	-42.38	399.12	7.87	-34.51
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCOC	REAL300020278145	1	50	-1.0	-42.27	399.19	7.87	-34.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020278146	0	53	-1.0	-47.54	413.42	7.51	-40.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020278146	1	53	-1.0	-47.60	413.48	7.52	-40.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020278147	0	50	-1.0	-49.71	386.62	7.82	-41.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020278147	1	50	-1.0	-49.78	386.67	7.84	-41.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020278148	0	47	-1.0	-39.11	384.10	8.63	-30.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020278148	1	47	-1.0	-39.12	384.16	8.64	-30.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020278149	0	44	-1.0	-41.07	362.34	7.81	-33.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020278149	1	44	-1.0	-41.08	362.28	7.77	-33.31
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)SC(C)C1	REAL300020278150	0	51	-1.0	-40.93	408.30	10.45	-30.48
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)SC(C)C1	REAL300020278150	1	51	-1.0	-40.94	408.37	10.44	-30.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020278151	0	62	0.0	-63.21	449.54	11.49	-51.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020278151	1	62	0.0	-63.15	449.69	11.51	-51.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020278152	0	62	0.0	-71.35	436.15	10.01	-61.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020278152	1	62	0.0	-63.74	444.71	10.94	-52.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020278152	1	62	0.0	-71.37	436.21	10.03	-61.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020278152	1	62	0.0	-63.72	444.75	10.95	-52.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020278153	0	44	-1.0	-41.66	361.14	5.59	-36.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020278153	1	44	-1.0	-41.68	361.21	5.60	-36.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020278154	0	41	-1.0	-45.92	342.25	5.15	-40.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020278154	1	41	-1.0	-45.90	342.19	5.12	-40.78
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020278155	0	48	-1.0	-43.88	400.75	7.37	-36.51
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020278155	1	48	-1.0	-43.85	400.79	7.36	-36.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020278156	0	53	0.0	-65.00	401.84	9.06	-55.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020278156	1	53	0.0	-68.90	380.37	7.90	-61.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020278156	1	53	0.0	-64.99	401.90	9.08	-55.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020278156	1	53	0.0	-68.95	380.44	7.91	-61.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020278157	0	50	0.0	-68.32	364.39	7.30	-61.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020278157	1	50	0.0	-63.12	381.77	8.24	-54.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020278157	1	50	0.0	-68.34	364.33	7.26	-61.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020278157	1	50	0.0	-63.15	381.71	8.21	-54.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2CCCCC2C1	REAL300020278157	1	49	-1.0	-43.99	360.77	5.00	-38.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020278158	0	50	-1.0	-42.85	420.84	8.69	-34.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020278158	1	50	-1.0	-42.86	420.90	8.72	-34.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020278159	0	59	-1.0	-38.76	456.19	9.42	-29.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020278159	1	59	-1.0	-38.80	456.25	9.44	-29.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020278160	0	56	-1.0	-43.10	430.80	9.16	-33.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020278160	1	56	-1.0	-43.11	430.84	9.18	-33.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020278161	0	46	-1.0	-42.16	389.69	9.88	-32.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020278161	1	46	-1.0	-42.18	389.74	9.88	-32.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C	REAL300020278162	0	45	-1.0	-40.33	354.59	7.67	-32.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C	REAL300020278162	1	45	-1.0	-40.32	354.64	7.68	-32.64
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C	REAL300020278163	0	49	-1.0	-42.04	385.35	9.70	-32.34
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C	REAL300020278163	1	49	-1.0	-41.98	385.38	9.68	-32.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020278164	0	54	-1.0	-44.02	431.84	9.23	-34.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020278164	1	54	-1.0	-43.98	431.89	9.25	-34.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020278165	0	49	-1.0	-45.28	398.21	9.48	-35.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020278165	1	49	-1.0	-45.29	398.15	9.47	-35.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020278166	0	46	-1.0	-48.81	370.06	9.06	-39.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020278166	1	46	-1.0	-48.79	370.01	9.04	-39.75
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC	REAL300020278167	0	46	-1.0	-41.71	367.22	8.86	-32.85
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC	REAL300020278167	1	46	-1.0	-41.72	367.24	8.85	-32.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020278168	0	52	-1.0	-47.39	412.95	12.39	-35.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020278168	1	52	-1.0	-47.37	412.90	12.37	-35.00
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020278169	0	49	-1.0	-39.98	386.26	8.88	-31.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020278169	1	49	-1.0	-39.99	386.32	8.89	-31.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020278170	0	46	-1.0	-43.85	354.35	9.18	-34.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020278170	1	46	-1.0	-43.84	354.32	9.16	-34.68
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCC1	REAL300020278171	0	53	-1.0	-41.63	416.22	10.93	-30.70
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCC1	REAL300020278171	1	53	-1.0	-41.64	416.21	10.91	-30.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020278172	0	45	-1.0	-53.21	385.47	6.48	-46.73
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C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020278173	1	53	-1.0	-47.69	414.85	6.83	-40.86
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020278174	0	47	-1.0	-41.24	388.42	5.93	-35.31
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020278174	1	47	-1.0	-41.19	388.47	5.95	-35.24
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020278175	0	44	-1.0	-44.78	354.76	5.62	-39.16
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020278175	1	44	-1.0	-44.73	354.73	5.62	-39.11
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(=C)C)CC1	REAL300020278176	0	51	-1.0	-42.65	413.72	7.83	-34.82
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(=C)C)CC1	REAL300020278176	1	51	-1.0	-42.66	413.75	7.82	-34.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020278177	0	49	-1.0	-48.27	400.84	7.75	-40.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020278177	1	49	-1.0	-48.26	400.77	7.74	-40.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020278178	0	46	-1.0	-40.05	388.38	8.93	-31.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020278178	1	46	-1.0	-40.03	388.44	8.95	-31.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020278179	0	43	-1.0	-41.50	359.84	8.54	-32.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020278179	1	43	-1.0	-41.48	359.79	8.52	-32.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020278180	0	46	-1.0	-48.65	374.72	9.94	-38.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020278180	1	46	-1.0	-48.62	374.67	9.93	-38.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC)C1	REAL300020278181	0	47	-1.0	-39.98	373.55	6.24	-33.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC)C1	REAL300020278181	1	47	-1.0	-39.98	373.61	6.26	-33.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC)C1	REAL300020278182	0	44	-1.0	-42.09	357.17	5.64	-36.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC)C1	REAL300020278182	1	44	-1.0	-42.06	357.11	5.62	-36.44
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CC)C1	REAL300020278183	0	51	-1.0	-41.96	392.28	7.75	-34.21
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CC)C1	REAL300020278183	1	51	-1.0	-41.90	392.31	7.73	-34.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020278184	0	51	-1.0	-41.63	411.62	8.48	-33.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020278184	1	51	-1.0	-41.63	411.68	8.50	-33.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020278185	0	48	-1.0	-42.67	372.26	7.10	-35.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020278185	1	48	-1.0	-42.67	372.20	7.08	-35.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020278186	0	52	-1.0	-39.05	401.56	9.40	-29.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020278186	1	52	-1.0	-39.04	401.62	9.41	-29.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020278187	0	49	-1.0	-43.69	368.73	9.90	-33.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020278187	1	49	-1.0	-43.59	368.67	9.89	-33.70
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCCC1	REAL300020278188	0	56	-1.0	-41.40	433.98	11.77	-29.63
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCCC1	REAL300020278188	1	56	-1.0	-41.40	433.98	11.73	-29.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020278189	0	59	0.0	-68.18	438.88	10.37	-57.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020278189	1	59	0.0	-68.18	438.94	10.39	-57.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020278190	0	56	0.0	-66.84	417.27	9.59	-57.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020278190	1	56	0.0	-66.90	417.33	9.61	-57.29
C#CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020278191	0	42	-1.0	-41.75	351.43	8.58	-33.17
C#CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020278191	1	42	-1.0	-41.65	351.50	8.57	-33.08
C=CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020278192	0	44	-1.0	-42.12	357.21	8.61	-33.51
C=CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020278192	1	44	-1.0	-42.06	357.29	8.60	-33.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020278193	0	54	-1.0	-41.65	428.22	8.91	-32.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020278193	1	54	-1.0	-41.66	428.28	8.92	-32.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020278194	0	51	-1.0	-47.58	403.92	8.50	-39.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020278194	1	51	-1.0	-47.49	403.98	8.52	-38.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020278195	0	47	-1.0	-40.08	367.13	8.23	-31.85
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020278195	1	47	-1.0	-40.04	367.18	8.25	-31.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020278196	0	44	-1.0	-43.61	342.06	7.71	-35.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020278196	1	44	-1.0	-43.59	342.00	7.70	-35.89
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020278197	0	51	-1.0	-41.47	399.73	10.21	-31.26
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020278197	1	51	-1.0	-41.47	399.75	10.21	-31.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020278198	0	56	-1.0	-44.14	414.65	4.81	-39.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020278198	1	56	-1.0	-44.12	414.70	4.82	-39.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020278198	1	57	0.0	-72.20	420.61	7.57	-64.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020278199	0	53	-1.0	-48.27	393.23	4.01	-44.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020278199	1	53	-1.0	-48.26	393.29	4.03	-44.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020278199	1	54	0.0	-70.68	408.72	7.49	-63.19
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020278200	0	56	-1.0	-40.62	434.16	11.25	-29.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020278200	1	56	-1.0	-40.63	434.21	11.27	-29.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020278201	0	53	-1.0	-41.76	407.70	10.44	-31.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020278201	1	53	-1.0	-41.81	407.64	10.41	-31.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020278202	0	58	-1.0	-42.21	443.02	11.66	-30.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020278202	1	58	-1.0	-42.23	443.08	11.67	-30.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020278203	0	55	-1.0	-43.07	420.56	10.52	-32.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020278203	1	55	-1.0	-43.09	420.49	10.49	-32.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020278204	0	52	-1.0	-39.46	398.73	9.09	-30.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020278204	1	52	-1.0	-39.47	398.79	9.11	-30.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020278205	0	49	-1.0	-43.73	371.96	8.84	-34.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020278205	1	49	-1.0	-43.79	371.92	8.82	-34.97
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)C)CC1	REAL300020278206	0	56	-1.0	-40.95	433.01	11.25	-29.70
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)C)CC1	REAL300020278206	1	56	-1.0	-40.88	433.01	11.23	-29.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020278207	0	47	-1.0	-41.49	385.07	7.00	-34.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020278207	1	47	-1.0	-41.50	385.13	7.01	-34.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020278208	0	44	-1.0	-41.76	362.44	7.00	-34.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020278208	1	44	-1.0	-41.77	362.55	7.01	-34.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020278209	0	59	0.0	-63.82	441.60	10.27	-53.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020278209	1	59	0.0	-63.83	441.66	10.29	-53.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020278210	0	56	0.0	-62.62	420.73	9.50	-53.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020278210	1	56	0.0	-62.60	420.78	9.53	-53.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OCC)C1	REAL300020278211	0	55	-1.0	-51.38	430.38	10.01	-41.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OCC)C1	REAL300020278211	1	55	-1.0	-51.36	430.45	10.04	-41.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020278212	0	52	-1.0	-50.44	420.05	7.99	-42.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020278212	1	52	-1.0	-50.40	419.99	7.98	-42.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020278213	0	49	-1.0	-51.10	376.40	6.62	-44.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020278213	1	49	-1.0	-51.10	376.35	6.59	-44.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020278214	0	51	-1.0	-42.57	411.17	7.10	-35.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020278214	1	51	-1.0	-42.57	411.23	7.11	-35.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020278215	0	48	-1.0	-43.51	396.24	6.19	-37.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020278215	1	48	-1.0	-43.49	396.18	6.16	-37.33
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020278216	0	53	-1.0	-47.80	415.63	7.37	-40.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020278216	1	53	-1.0	-47.82	415.68	7.38	-40.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020278217	0	50	-1.0	-47.67	402.64	6.50	-41.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020278217	1	50	-1.0	-47.62	402.70	6.52	-41.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)C1	REAL300020278218	0	51	-1.0	-43.39	409.89	5.90	-37.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)C1	REAL300020278218	1	51	-1.0	-43.38	409.94	5.92	-37.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)C1	REAL300020278219	0	48	-1.0	-44.47	388.39	5.12	-39.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)C1	REAL300020278219	1	48	-1.0	-44.49	388.45	5.14	-39.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020278220	0	46	-1.0	-41.30	378.48	8.53	-32.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020278220	1	46	-1.0	-41.28	378.53	8.54	-32.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020278221	0	43	-1.0	-42.54	336.43	6.51	-36.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020278221	1	43	-1.0	-42.51	336.49	6.53	-35.98
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020278222	0	51	-1.0	-52.34	396.54	7.24	-45.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020278222	1	51	-1.0	-52.39	396.60	7.26	-45.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020278223	0	48	-1.0	-45.89	377.46	6.61	-39.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020278223	1	48	-1.0	-45.93	377.40	6.59	-39.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020278224	0	49	-1.0	-44.37	417.59	8.48	-35.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020278224	1	49	-1.0	-44.42	417.65	8.50	-35.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020278225	0	51	-1.0	-41.03	404.98	6.23	-34.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020278225	1	51	-1.0	-41.07	405.04	6.24	-34.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020278226	0	48	-1.0	-45.39	380.15	6.38	-39.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020278226	1	48	-1.0	-45.48	380.19	6.40	-39.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020278227	0	43	-1.0	-44.31	348.14	7.31	-37.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020278227	1	43	-1.0	-44.31	348.20	7.32	-36.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020278228	0	40	-1.0	-46.99	326.62	6.53	-40.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020278228	1	40	-1.0	-46.95	326.56	6.51	-40.44
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020278229	0	47	-1.0	-45.54	380.71	9.33	-36.21
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020278229	1	47	-1.0	-45.55	380.78	9.31	-36.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020278230	0	51	-1.0	-46.30	399.41	5.81	-40.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020278230	1	51	-1.0	-46.35	399.45	5.82	-40.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020278231	0	48	-1.0	-43.05	386.58	5.11	-37.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020278231	1	48	-1.0	-43.03	386.53	5.09	-37.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020278232	0	57	-1.0	-42.54	413.76	7.69	-34.85
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020278232	1	57	-1.0	-42.48	413.85	7.70	-34.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020278233	0	54	-1.0	-47.78	412.24	8.31	-39.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020278233	1	54	-1.0	-47.83	412.40	8.32	-39.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020278234	0	53	-1.0	-41.81	384.03	8.66	-33.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020278234	1	53	-1.0	-41.84	384.09	8.67	-33.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020278235	0	50	-1.0	-46.21	358.39	7.75	-38.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020278235	1	50	-1.0	-46.20	358.36	7.74	-38.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)C1	REAL300020278236	0	50	-1.0	-39.59	385.31	6.58	-33.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)C1	REAL300020278236	1	50	-1.0	-39.60	385.36	6.60	-33.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)C1	REAL300020278237	0	47	-1.0	-42.29	371.36	6.08	-36.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)C1	REAL300020278237	1	47	-1.0	-42.25	371.30	6.04	-36.21
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(OC)C1	REAL300020278238	0	54	-1.0	-45.08	398.48	7.89	-37.19
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(OC)C1	REAL300020278238	1	54	-1.0	-45.11	398.51	7.88	-37.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020278239	0	55	-1.0	-49.87	414.62	9.03	-40.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020278239	1	55	-1.0	-49.89	414.68	9.04	-40.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020278240	0	51	-1.0	-44.00	408.88	4.48	-39.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020278240	1	51	-1.0	-44.03	408.95	4.50	-39.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020278241	0	48	-1.0	-52.01	382.92	3.76	-48.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020278241	1	48	-1.0	-52.07	382.97	3.80	-48.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020278242	0	47	-1.0	-46.14	392.32	8.28	-37.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020278242	1	47	-1.0	-46.16	392.26	8.26	-37.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020278243	0	54	-1.0	-42.05	416.10	8.06	-33.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020278243	1	54	-1.0	-42.06	416.16	8.08	-33.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020278244	0	51	-1.0	-44.61	396.88	7.34	-37.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020278244	1	51	-1.0	-44.63	396.93	7.37	-37.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)(C(C)C)C1	REAL300020278245	0	55	-1.0	-44.92	421.14	9.10	-35.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)(C(C)C)C1	REAL300020278245	1	55	-1.0	-44.96	421.19	9.12	-35.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020278246	0	50	-1.0	-46.80	398.01	6.54	-40.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020278246	1	50	-1.0	-46.80	398.06	6.55	-40.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020278247	0	47	-1.0	-49.13	378.14	6.24	-42.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020278247	1	47	-1.0	-49.16	378.10	6.21	-42.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020278248	0	54	-1.0	-40.35	406.04	7.71	-32.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020278248	1	54	-1.0	-40.34	406.10	7.72	-32.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020278249	0	51	-1.0	-46.08	358.71	6.58	-39.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020278249	1	51	-1.0	-46.08	358.76	6.59	-39.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020278250	0	53	-1.0	-39.71	412.07	7.69	-32.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020278250	1	53	-1.0	-39.76	412.13	7.70	-32.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020278251	0	50	-1.0	-45.58	382.58	7.04	-38.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020278251	1	50	-1.0	-45.63	382.60	7.01	-38.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020278252	0	56	-1.0	-42.90	435.17	11.08	-31.82
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020278252	1	56	-1.0	-42.91	435.23	11.09	-31.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020278253	0	53	-1.0	-45.16	412.11	10.82	-34.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020278253	1	53	-1.0	-45.18	412.06	10.80	-34.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020278254	0	55	-1.0	-40.38	412.18	9.63	-30.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020278254	1	55	-1.0	-40.40	412.24	9.63	-30.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020278255	0	52	-1.0	-41.60	392.51	8.72	-32.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020278255	1	52	-1.0	-41.59	392.44	8.68	-32.91
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020278256	0	56	-1.0	-42.56	432.54	5.80	-36.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020278256	1	57	0.0	-67.97	424.55	8.78	-59.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020278256	1	56	-1.0	-42.61	432.59	5.83	-36.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020278257	0	58	-1.0	-43.81	420.67	9.56	-34.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020278257	1	58	-1.0	-43.80	420.75	9.59	-34.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020278258	0	50	-1.0	-40.73	374.46	8.79	-31.94
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020278258	1	50	-1.0	-40.74	374.53	8.79	-31.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020278259	0	47	-1.0	-43.54	374.61	9.27	-34.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020278259	1	47	-1.0	-43.49	374.56	9.24	-34.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020278260	0	44	-1.0	-51.01	358.38	3.27	-47.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020278260	1	44	-1.0	-50.98	358.44	3.29	-47.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020278261	0	41	-1.0	-53.14	333.35	2.76	-50.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020278261	1	41	-1.0	-53.17	333.30	2.75	-50.42
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020278262	0	48	-1.0	-52.41	390.97	5.25	-47.16
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020278262	1	48	-1.0	-52.43	391.01	5.24	-47.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020278263	0	53	-1.0	-46.01	408.94	6.82	-39.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020278263	1	53	-1.0	-45.99	409.00	6.84	-39.15
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1	REAL300020278264	0	44	-1.0	-41.25	359.72	8.65	-32.60
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1	REAL300020278264	1	44	-1.0	-41.28	359.43	8.64	-32.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)C1	REAL300020278265	0	46	-1.0	-41.04	356.38	7.88	-33.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)C1	REAL300020278265	1	46	-1.0	-41.03	356.44	7.90	-33.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)C1	REAL300020278266	0	43	-1.0	-44.24	323.22	6.32	-37.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)C1	REAL300020278266	1	43	-1.0	-44.23	323.16	6.30	-37.93
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020278267	0	50	-1.0	-42.57	372.37	8.99	-33.58
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020278267	1	50	-1.0	-42.52	372.42	8.96	-33.56
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC1	REAL300020278268	0	41	-1.0	-40.68	339.14	4.93	-35.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC1	REAL300020278268	1	41	-1.0	-40.67	339.20	4.95	-35.72
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1	REAL300020278269	0	45	-1.0	-42.92	368.54	7.19	-35.73
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1	REAL300020278269	1	45	-1.0	-42.87	368.58	7.18	-35.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020278270	0	47	-1.0	-46.98	378.40	6.33	-40.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020278270	1	47	-1.0	-46.95	378.46	6.34	-40.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020278271	0	44	-1.0	-47.84	354.70	5.48	-42.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020278271	1	44	-1.0	-47.80	354.64	5.46	-42.34
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020278272	0	51	-1.0	-49.15	412.64	8.43	-40.72
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020278272	1	51	-1.0	-49.10	412.59	8.42	-40.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020278273	0	52	-1.0	-41.27	419.90	8.24	-33.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020278273	1	52	-1.0	-41.27	419.96	8.25	-33.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020278274	0	49	-1.0	-47.50	395.77	8.16	-39.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020278274	1	49	-1.0	-47.50	395.86	8.18	-39.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020278275	0	56	-1.0	-40.75	439.54	11.55	-29.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020278275	1	56	-1.0	-40.78	439.60	11.57	-29.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020278276	0	53	-1.0	-43.70	414.47	11.57	-32.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020278276	1	53	-1.0	-43.69	414.55	11.59	-32.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020278277	0	49	-1.0	-39.38	373.23	8.45	-30.93
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020278277	1	49	-1.0	-39.41	373.29	8.46	-30.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020278278	0	46	-1.0	-43.03	362.02	7.85	-35.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020278278	1	46	-1.0	-43.00	361.96	7.82	-35.18
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C)C1	REAL300020278279	0	53	-1.0	-41.73	410.59	10.58	-31.15
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C)C1	REAL300020278279	1	53	-1.0	-41.67	410.58	10.57	-31.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020278280	0	52	-1.0	-41.56	418.17	9.00	-32.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020278280	1	52	-1.0	-41.59	418.22	9.02	-32.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020278281	0	49	-1.0	-42.57	403.16	8.11	-34.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020278281	1	49	-1.0	-42.54	403.22	8.13	-34.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC	REAL300020278282	0	45	-1.0	-39.40	366.31	7.51	-31.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC	REAL300020278282	1	45	-1.0	-39.38	366.37	7.53	-31.85
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC	REAL300020278283	0	49	-1.0	-41.97	386.95	9.58	-32.39
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC	REAL300020278283	1	49	-1.0	-41.89	387.02	9.58	-32.31
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020278284	0	51	-1.0	-43.82	413.72	7.13	-36.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020278284	1	51	-1.0	-43.90	413.78	7.14	-36.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020278285	0	48	-1.0	-45.60	390.03	6.29	-39.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020278285	1	48	-1.0	-45.57	390.09	6.32	-39.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020278286	0	52	-1.0	-41.01	423.16	8.32	-32.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020278286	1	52	-1.0	-41.01	423.22	8.34	-32.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020278287	0	49	-1.0	-45.20	388.21	8.05	-37.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020278287	1	49	-1.0	-45.21	388.23	8.07	-37.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020278288	0	47	-1.0	-44.91	377.00	4.31	-40.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020278288	1	47	-1.0	-44.89	377.06	4.32	-40.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020278289	0	44	-1.0	-51.39	340.50	2.95	-48.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020278289	1	44	-1.0	-51.40	340.44	2.93	-48.47
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020278290	0	51	-1.0	-46.97	412.49	6.20	-40.77
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020278290	1	51	-1.0	-46.88	412.52	6.18	-40.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020278291	0	52	-1.0	-45.99	420.60	8.99	-37.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020278291	1	52	-1.0	-46.00	420.65	9.00	-37.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020278292	0	49	-1.0	-46.09	401.85	8.02	-38.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020278292	1	49	-1.0	-46.08	401.91	8.04	-38.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020278293	0	50	-1.0	-43.58	410.84	7.90	-35.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020278293	1	50	-1.0	-43.58	410.78	7.88	-35.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020278294	0	47	-1.0	-46.44	384.77	7.28	-39.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020278294	1	47	-1.0	-46.49	384.72	7.25	-39.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)CC1	REAL300020278295	0	46	-1.0	-39.53	362.07	8.31	-31.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)CC1	REAL300020278295	1	46	-1.0	-39.53	362.13	8.32	-31.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)CC1	REAL300020278296	0	43	-1.0	-42.70	336.95	7.98	-34.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)CC1	REAL300020278296	1	43	-1.0	-42.69	336.92	7.96	-34.73
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020278297	0	50	-1.0	-41.02	397.13	10.13	-30.89
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020278297	1	50	-1.0	-40.99	397.19	10.11	-30.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020278298	0	51	-1.0	-41.76	414.27	7.65	-34.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020278298	1	51	-1.0	-41.75	414.33	7.67	-34.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020278299	0	48	-1.0	-44.44	388.38	7.04	-37.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020278299	1	48	-1.0	-44.46	388.44	7.07	-37.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020278300	0	55	-1.0	-42.81	431.52	9.55	-33.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020278300	1	55	-1.0	-42.83	431.57	9.57	-33.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020278301	0	47	-1.0	-46.00	382.83	6.37	-39.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020278301	1	47	-1.0	-46.07	382.89	6.38	-39.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020278302	0	44	-1.0	-45.83	372.43	5.78	-40.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020278302	1	44	-1.0	-45.83	372.37	5.76	-40.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020278303	0	51	-1.0	-47.46	411.92	7.06	-40.40
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020278303	1	51	-1.0	-47.48	411.98	7.07	-40.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020278304	0	48	-1.0	-52.00	382.88	6.71	-45.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020278304	1	48	-1.0	-52.04	382.94	6.73	-45.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020278305	0	56	0.0	-64.12	420.24	9.48	-54.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020278305	1	56	0.0	-64.06	420.18	9.47	-54.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020278306	0	53	0.0	-65.02	392.51	9.31	-55.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020278306	1	53	0.0	-65.04	392.65	9.33	-55.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020278307	0	52	-1.0	-40.44	426.09	11.36	-29.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020278307	1	52	-1.0	-40.46	426.16	11.38	-29.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020278308	0	49	-1.0	-44.69	398.61	10.82	-33.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020278308	1	49	-1.0	-44.74	398.56	10.81	-33.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020278309	0	56	0.0	-68.18	436.41	10.58	-57.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020278309	1	55	-1.0	-44.00	432.29	8.52	-35.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020278309	1	55	-1.0	-44.04	432.35	8.55	-35.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020278310	0	43	-1.0	-38.51	380.45	8.70	-29.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020278310	1	43	-1.0	-38.54	380.50	8.71	-29.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020278311	0	40	-1.0	-42.57	360.27	8.33	-34.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020278311	1	40	-1.0	-42.64	360.23	8.32	-34.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020278312	0	54	-1.0	-41.79	440.01	8.13	-33.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020278312	1	54	-1.0	-41.78	440.07	8.14	-33.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020278313	0	51	-1.0	-43.41	410.47	7.84	-35.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020278313	1	51	-1.0	-43.43	410.52	7.85	-35.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020278314	0	54	-1.0	-44.07	434.60	9.79	-34.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020278314	1	54	-1.0	-44.08	434.65	9.81	-34.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020278315	0	46	-1.0	-42.53	383.54	8.92	-33.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020278315	1	46	-1.0	-42.50	383.61	8.94	-33.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020278316	0	43	-1.0	-42.49	372.53	8.08	-34.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020278316	1	43	-1.0	-42.49	372.47	8.05	-34.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020278317	0	56	0.0	-67.93	428.57	10.97	-56.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020278317	1	56	0.0	-69.39	429.28	10.72	-58.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020278317	1	56	0.0	-67.94	428.69	10.98	-56.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020278317	1	56	0.0	-69.43	429.27	10.75	-58.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020278318	0	49	-1.0	-51.30	378.16	3.76	-47.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020278318	1	49	-1.0	-51.31	378.22	3.76	-47.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020278319	0	46	-1.0	-54.88	384.58	4.12	-50.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020278319	1	46	-1.0	-54.92	384.64	4.15	-50.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(CC)C=C2)CC1	REAL300020278320	0	55	-1.0	-44.57	424.67	9.43	-35.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(CC)C=C2)CC1	REAL300020278320	1	55	-1.0	-44.59	424.69	9.45	-35.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020278321	0	51	-1.0	-42.62	418.65	7.74	-34.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020278321	1	51	-1.0	-42.62	418.59	7.72	-34.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020278322	0	48	-1.0	-45.72	392.59	7.12	-38.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020278322	1	48	-1.0	-45.73	392.53	7.10	-38.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020278323	0	50	-1.0	-42.11	402.93	8.51	-33.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020278323	1	50	-1.0	-42.05	402.99	8.52	-33.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020278324	0	47	-1.0	-47.99	382.08	8.73	-39.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020278324	1	47	-1.0	-47.98	382.03	8.72	-39.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020278325	0	49	-1.0	-40.68	402.44	9.59	-31.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020278325	1	49	-1.0	-40.71	402.48	9.61	-31.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020278326	0	46	-1.0	-44.19	369.96	8.58	-35.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020278326	1	46	-1.0	-44.17	369.91	8.56	-35.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020278327	0	49	-1.0	-39.76	409.79	7.45	-32.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020278327	1	49	-1.0	-39.77	409.85	7.47	-32.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020278328	0	46	-1.0	-41.65	388.34	6.68	-34.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020278328	1	46	-1.0	-41.64	388.29	6.66	-34.98
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCCOC	REAL300020278329	0	57	-1.0	-45.38	462.22	5.75	-39.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCCOC	REAL300020278329	1	57	-1.0	-45.34	462.28	5.77	-39.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCCOC	REAL300020278330	0	54	-1.0	-45.02	445.74	4.96	-40.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCCOC	REAL300020278330	1	54	-1.0	-44.99	445.80	4.98	-40.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020278331	0	58	0.0	-66.11	433.76	9.93	-56.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020278331	1	58	0.0	-66.17	433.81	9.94	-56.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020278332	0	55	0.0	-71.35	394.29	8.08	-63.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020278332	1	55	0.0	-71.37	394.35	8.10	-63.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020278333	0	53	-1.0	-41.54	430.48	6.74	-34.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020278333	1	53	-1.0	-41.54	430.54	6.75	-34.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020278334	0	50	-1.0	-44.15	406.52	6.25	-37.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020278334	1	50	-1.0	-44.18	406.58	6.29	-37.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020278335	0	55	-1.0	-42.08	428.97	9.16	-32.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020278335	1	55	-1.0	-42.09	429.03	9.17	-32.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020278336	0	52	-1.0	-45.67	404.79	8.91	-36.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020278336	1	52	-1.0	-45.66	404.73	8.90	-36.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020278337	0	46	-1.0	-38.77	390.64	8.88	-29.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020278337	1	46	-1.0	-38.76	390.69	8.89	-29.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020278338	0	43	-1.0	-42.99	362.66	8.85	-34.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020278338	1	43	-1.0	-42.96	362.60	8.82	-34.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC)C1	REAL300020278339	0	52	-1.0	-41.45	388.41	9.08	-32.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC)C1	REAL300020278339	1	52	-1.0	-41.42	388.47	9.09	-32.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC)C1	REAL300020278340	0	49	-1.0	-44.91	374.78	9.07	-35.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC)C1	REAL300020278340	1	49	-1.0	-44.91	374.72	9.06	-35.85
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CCC)C1	REAL300020278341	0	56	-1.0	-40.77	437.84	11.25	-29.52
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CCC)C1	REAL300020278341	1	56	-1.0	-40.79	437.88	11.24	-29.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020278342	0	56	-1.0	-41.82	454.77	9.95	-31.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020278342	1	56	-1.0	-41.80	454.83	9.96	-31.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020278343	0	53	-1.0	-45.02	427.92	9.53	-35.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020278343	1	53	-1.0	-45.01	427.96	9.54	-35.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020278344	0	54	-1.0	-39.66	429.11	9.05	-30.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020278344	1	54	-1.0	-39.71	429.17	9.06	-30.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020278345	0	51	-1.0	-41.16	412.79	8.10	-33.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020278345	1	51	-1.0	-41.16	412.84	8.13	-33.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020278346	0	46	-1.0	-39.40	390.97	7.36	-32.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020278346	1	46	-1.0	-39.42	391.03	7.37	-32.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020278347	0	43	-1.0	-40.52	372.18	6.93	-33.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020278347	1	43	-1.0	-40.56	372.12	6.91	-33.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020278348	0	54	-1.0	-39.49	413.48	10.43	-29.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020278348	1	54	-1.0	-39.51	413.54	10.45	-29.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020278349	0	51	-1.0	-42.17	383.85	9.77	-32.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020278349	1	51	-1.0	-42.20	383.96	9.79	-32.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020278350	0	60	0.0	-69.35	436.39	10.65	-58.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020278350	1	60	0.0	-69.35	436.45	10.67	-58.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020278351	0	57	0.0	-64.57	420.27	10.02	-54.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020278351	1	57	0.0	-64.57	420.32	10.05	-54.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020278352	0	48	-1.0	-51.14	404.19	7.49	-43.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020278352	1	48	-1.0	-51.13	404.15	7.47	-43.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC)CC1	REAL300020278353	0	53	-1.0	-44.33	419.74	6.76	-37.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC)CC1	REAL300020278353	1	53	-1.0	-44.30	419.79	6.77	-37.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC)CC1	REAL300020278354	0	50	-1.0	-44.50	404.57	5.50	-39.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC)CC1	REAL300020278354	1	50	-1.0	-44.52	404.63	5.53	-38.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020278355	0	50	-1.0	-46.35	400.38	6.08	-40.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020278355	1	50	-1.0	-46.31	400.44	6.10	-40.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020278356	0	47	-1.0	-50.22	386.30	4.91	-45.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020278356	1	47	-1.0	-50.18	386.25	4.88	-45.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020278357	0	54	-1.0	-46.91	423.15	5.64	-41.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020278357	1	54	-1.0	-46.87	423.21	5.67	-41.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020278358	0	43	-1.0	-38.85	370.49	7.95	-30.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020278358	1	43	-1.0	-38.84	370.55	7.96	-30.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020278359	0	40	-1.0	-43.09	343.53	7.74	-35.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020278359	1	40	-1.0	-43.10	343.49	7.71	-35.39
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CS1	REAL300020278360	0	47	-1.0	-41.30	400.73	10.27	-31.03
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CS1	REAL300020278360	1	47	-1.0	-41.31	400.81	10.25	-31.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020278361	0	43	-1.0	-40.91	377.37	9.31	-31.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020278361	1	43	-1.0	-40.90	377.42	9.33	-31.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020278362	0	53	-1.0	-44.55	415.93	7.56	-36.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020278362	1	53	-1.0	-44.54	415.99	7.57	-36.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020278363	0	50	-1.0	-46.90	386.47	7.12	-39.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020278363	1	50	-1.0	-46.93	386.51	7.15	-39.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020278364	0	52	-1.0	-44.79	414.48	8.78	-36.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020278364	1	52	-1.0	-44.77	414.54	8.79	-35.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020278365	0	49	-1.0	-47.50	392.55	8.40	-39.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020278365	1	49	-1.0	-47.37	392.62	8.35	-39.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020278366	0	54	-1.0	-44.77	423.74	8.36	-36.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020278366	1	54	-1.0	-44.75	423.80	8.38	-36.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020278367	0	51	-1.0	-46.44	402.12	7.58	-38.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020278367	1	51	-1.0	-46.46	402.18	7.60	-38.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC)C1	REAL300020278368	0	47	-1.0	-43.23	368.92	6.34	-36.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC)C1	REAL300020278368	1	47	-1.0	-43.23	368.98	6.35	-36.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC)C1	REAL300020278369	0	44	-1.0	-46.92	344.59	6.08	-40.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC)C1	REAL300020278369	1	44	-1.0	-46.92	344.56	6.05	-40.87
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OC)C1	REAL300020278370	0	51	-1.0	-42.24	388.89	7.37	-34.87
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OC)C1	REAL300020278370	1	51	-1.0	-42.18	389.01	7.37	-34.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC)CC1	REAL300020278371	0	50	-1.0	-41.11	397.77	7.22	-33.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC)CC1	REAL300020278371	1	50	-1.0	-41.10	397.82	7.23	-33.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)CC1	REAL300020278372	0	47	-1.0	-44.18	372.76	6.39	-37.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)CC1	REAL300020278372	1	47	-1.0	-44.19	372.70	6.37	-37.82
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COC)CC1	REAL300020278373	0	54	-1.0	-42.39	432.99	9.26	-33.13
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COC)CC1	REAL300020278373	1	54	-1.0	-42.35	433.04	9.25	-33.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020278374	0	42	-1.0	-46.47	350.55	4.59	-41.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020278374	1	42	-1.0	-46.49	350.61	4.61	-41.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020278375	0	39	-1.0	-50.32	328.63	4.01	-46.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020278375	1	39	-1.0	-50.28	328.59	4.00	-46.28
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020278376	0	46	-1.0	-47.99	379.64	7.11	-40.88
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020278376	1	46	-1.0	-47.99	379.68	7.10	-40.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020278377	0	59	0.0	-62.36	436.16	10.55	-51.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020278377	1	59	0.0	-62.37	436.22	10.56	-51.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020278378	0	56	0.0	-61.99	419.58	9.75	-52.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020278378	1	56	0.0	-61.98	419.64	9.77	-52.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=C)CC1	REAL300020278379	0	44	-1.0	-39.55	360.91	7.82	-31.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=C)CC1	REAL300020278379	1	44	-1.0	-39.57	360.96	7.84	-31.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=C)CC1	REAL300020278380	0	41	-1.0	-42.24	332.50	7.21	-35.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=C)CC1	REAL300020278380	1	41	-1.0	-42.26	332.45	7.19	-35.07
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(=C)CC1	REAL300020278381	0	48	-1.0	-40.94	392.35	9.82	-31.12
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(=C)CC1	REAL300020278381	1	48	-1.0	-40.93	392.40	9.80	-31.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020278382	0	50	-1.0	-40.65	392.79	7.29	-33.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020278382	1	50	-1.0	-40.64	392.85	7.31	-33.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020278383	0	47	-1.0	-43.41	362.53	7.12	-36.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020278383	1	47	-1.0	-43.35	362.47	7.10	-36.25
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCOC1	REAL300020278384	0	54	-1.0	-41.81	424.29	9.32	-32.49
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCOC1	REAL300020278384	1	54	-1.0	-41.75	424.29	9.30	-32.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020278385	0	56	-1.0	-40.16	432.87	11.07	-29.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020278385	1	56	-1.0	-40.17	432.93	11.08	-29.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020278386	0	53	-1.0	-44.95	400.73	10.63	-34.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020278386	1	53	-1.0	-44.96	400.79	10.64	-34.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020278387	0	56	-1.0	-41.59	434.70	11.53	-30.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020278387	1	56	-1.0	-41.54	434.76	11.55	-29.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020278388	0	53	-1.0	-42.23	423.61	10.69	-31.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020278388	1	53	-1.0	-42.24	423.67	10.71	-31.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020278389	0	42	-1.0	-44.32	357.26	5.53	-38.79
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020278389	1	42	-1.0	-44.35	357.34	5.54	-38.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020278390	0	39	-1.0	-45.86	303.96	4.29	-41.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020278390	1	39	-1.0	-45.88	303.88	4.28	-41.60
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020278391	0	46	-1.0	-46.28	385.23	7.62	-38.66
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020278391	1	46	-1.0	-46.22	385.26	7.59	-38.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020278392	0	55	-1.0	-48.28	434.14	5.43	-42.85
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020278392	1	55	-1.0	-48.28	434.20	5.45	-42.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020278393	0	52	-1.0	-54.49	406.01	4.91	-49.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020278393	1	52	-1.0	-54.54	406.08	4.92	-49.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020278394	0	46	-1.0	-43.88	374.47	6.77	-37.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020278394	1	46	-1.0	-43.84	374.40	6.76	-37.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020278395	0	43	-1.0	-44.44	354.60	6.71	-37.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020278395	1	43	-1.0	-44.43	354.55	6.70	-37.73
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020278396	0	50	-1.0	-45.09	416.81	9.00	-36.09
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020278396	1	50	-1.0	-45.05	416.77	9.01	-36.04
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020278397	0	52	-1.0	-41.39	427.93	7.82	-33.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020278397	1	52	-1.0	-41.40	427.99	7.83	-33.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020278397	1	53	0.0	-70.86	429.41	10.07	-60.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020278398	0	49	-1.0	-44.33	403.68	6.94	-37.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020278398	1	49	-1.0	-44.35	403.74	6.97	-37.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020278398	1	50	0.0	-67.41	411.05	9.07	-58.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020278399	0	49	-1.0	-43.07	397.11	7.64	-35.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020278399	1	49	-1.0	-43.06	397.17	7.65	-35.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020278400	0	46	-1.0	-46.17	378.62	7.24	-38.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020278400	1	46	-1.0	-46.19	378.56	7.22	-38.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(OC)=C(OC)C=C1C	REAL300020278401	0	54	-1.0	-44.92	423.57	8.20	-36.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(OC)=C(OC)C=C1C	REAL300020278401	1	54	-1.0	-44.96	423.51	8.18	-36.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020278402	0	54	-1.0	-44.51	435.29	6.98	-37.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020278402	1	54	-1.0	-44.50	435.34	6.99	-37.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020278403	0	51	-1.0	-47.28	397.60	5.40	-41.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020278403	1	51	-1.0	-47.28	397.65	5.42	-41.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020278404	0	48	-1.0	-44.33	393.54	8.15	-36.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020278404	1	48	-1.0	-44.33	393.60	8.16	-36.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020278405	0	45	-1.0	-44.13	384.62	8.57	-35.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020278405	1	45	-1.0	-44.09	384.57	8.54	-35.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020278406	0	53	-1.0	-42.61	422.03	9.03	-33.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020278406	1	53	-1.0	-42.57	422.08	9.04	-33.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020278407	0	50	-1.0	-44.95	397.31	8.82	-36.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020278407	1	50	-1.0	-44.92	397.24	8.80	-36.12
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020278408	0	48	-1.0	-40.83	389.17	7.22	-33.61
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020278408	1	48	-1.0	-40.89	389.22	7.23	-33.66
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020278409	0	45	-1.0	-41.93	365.79	6.38	-35.55
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020278409	1	45	-1.0	-41.96	365.74	6.35	-35.61
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(=C)C)C1	REAL300020278410	0	52	-1.0	-42.64	414.71	9.07	-33.57
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(=C)C)C1	REAL300020278410	1	52	-1.0	-42.58	414.75	9.06	-33.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020278411	0	46	-1.0	-40.27	360.67	7.55	-32.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020278411	1	46	-1.0	-40.30	360.73	7.57	-32.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020278412	0	43	-1.0	-42.42	341.08	6.85	-35.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020278412	1	43	-1.0	-42.43	341.02	6.83	-35.60
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020278413	0	50	-1.0	-41.52	392.12	9.62	-31.90
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020278413	1	50	-1.0	-41.51	392.20	9.61	-31.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020278414	0	52	-1.0	-40.20	402.38	9.23	-30.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020278414	1	52	-1.0	-40.19	402.44	9.25	-30.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020278415	0	49	-1.0	-44.63	361.61	8.02	-36.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020278415	1	49	-1.0	-44.63	361.55	8.00	-36.63
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)C)C1	REAL300020278416	0	56	-1.0	-41.72	435.25	11.32	-30.40
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)C)C1	REAL300020278416	1	56	-1.0	-41.65	435.28	11.31	-30.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)C1	REAL300020278417	0	50	-1.0	-41.69	395.75	7.04	-34.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)C1	REAL300020278417	1	50	-1.0	-41.71	395.81	7.06	-34.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)C1	REAL300020278418	0	47	-1.0	-46.22	356.66	5.21	-41.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)C1	REAL300020278418	1	47	-1.0	-46.19	356.61	5.19	-41.00
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCOC)C1	REAL300020278419	0	54	-1.0	-42.15	433.56	9.02	-33.13
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCOC)C1	REAL300020278419	1	54	-1.0	-42.16	433.49	9.01	-33.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020278420	0	50	-1.0	-39.88	386.93	9.04	-30.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020278420	1	50	-1.0	-39.86	386.98	9.06	-30.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020278421	0	47	-1.0	-45.51	364.58	8.67	-36.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020278421	1	47	-1.0	-45.43	364.47	8.65	-36.78
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020278422	0	54	-1.0	-41.15	423.32	11.20	-29.95
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020278422	1	54	-1.0	-41.14	423.46	11.19	-29.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020278423	0	58	-1.0	-40.47	451.89	5.75	-34.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020278423	1	58	-1.0	-40.52	451.95	5.77	-34.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020278423	1	59	0.0	-67.36	443.58	8.33	-59.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020278423	1	59	0.0	-67.29	451.37	8.40	-58.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020278424	0	55	-1.0	-44.68	424.58	5.34	-39.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020278424	1	55	-1.0	-44.70	424.63	5.36	-39.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020278424	1	56	0.0	-65.49	422.15	7.56	-57.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020278424	1	56	0.0	-64.79	426.34	7.91	-56.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020278425	0	54	-1.0	-42.62	416.10	9.10	-33.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020278425	1	54	-1.0	-42.63	416.16	9.11	-33.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020278426	0	51	-1.0	-43.62	406.01	8.29	-35.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020278426	1	51	-1.0	-43.59	405.94	8.27	-35.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020278427	0	51	-1.0	-41.40	372.32	6.81	-34.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020278427	1	51	-1.0	-41.42	372.38	6.83	-34.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020278428	0	48	-1.0	-46.66	345.64	6.83	-39.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020278428	1	48	-1.0	-46.67	345.60	6.81	-39.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC)C1	REAL300020278429	0	44	-1.0	-40.66	354.38	5.66	-35.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC)C1	REAL300020278429	1	44	-1.0	-40.67	354.43	5.67	-35.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC)C1	REAL300020278430	0	41	-1.0	-45.12	328.97	5.16	-39.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC)C1	REAL300020278430	1	41	-1.0	-45.13	328.92	5.15	-39.98
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OC)C1	REAL300020278431	0	48	-1.0	-41.44	390.82	7.60	-33.84
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OC)C1	REAL300020278431	1	48	-1.0	-41.40	390.84	7.59	-33.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020278432	0	49	-1.0	-39.53	378.01	8.35	-31.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020278432	1	49	-1.0	-39.57	378.07	8.37	-31.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020278433	0	46	-1.0	-42.19	355.60	7.29	-34.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020278433	1	46	-1.0	-42.17	355.56	7.26	-34.91
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(C)C1	REAL300020278434	0	53	-1.0	-41.70	416.06	10.68	-31.02
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(C)C1	REAL300020278434	1	53	-1.0	-41.71	416.14	10.67	-31.04
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)C1	REAL300020278435	0	44	-1.0	-40.87	354.40	5.68	-35.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)C1	REAL300020278435	1	44	-1.0	-40.82	354.46	5.69	-35.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)C1	REAL300020278436	0	41	-1.0	-45.53	325.10	5.29	-40.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)C1	REAL300020278436	1	41	-1.0	-45.51	325.02	5.28	-40.23
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC)C1	REAL300020278437	0	48	-1.0	-42.63	380.10	7.53	-35.10
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC)C1	REAL300020278437	1	48	-1.0	-42.65	380.15	7.52	-35.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020278438	0	49	-1.0	-40.27	383.25	8.70	-31.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020278438	1	49	-1.0	-40.26	383.29	8.72	-31.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020278439	0	46	-1.0	-41.83	364.53	7.77	-34.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020278439	1	46	-1.0	-41.86	364.46	7.74	-34.12
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC)C1	REAL300020278440	0	53	-1.0	-42.43	391.22	9.65	-32.78
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC)C1	REAL300020278440	1	53	-1.0	-42.45	391.27	9.63	-32.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020278441	0	52	-1.0	-40.21	400.81	9.44	-30.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020278441	1	52	-1.0	-40.23	400.87	9.46	-30.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020278442	0	49	-1.0	-42.20	380.15	8.42	-33.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020278442	1	49	-1.0	-42.22	380.09	8.39	-33.83
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020278443	0	56	-1.0	-40.99	424.89	10.97	-30.02
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020278443	1	56	-1.0	-40.95	424.94	10.95	-30.00
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020278444	0	52	-1.0	-40.48	416.64	9.77	-30.71
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020278444	1	52	-1.0	-40.46	416.70	9.79	-30.67
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020278445	0	49	-1.0	-41.64	401.91	8.94	-32.70
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020278445	1	49	-1.0	-41.62	401.86	8.92	-32.70
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020278446	0	56	-1.0	-42.06	444.44	11.81	-30.25
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020278446	1	56	-1.0	-42.04	444.48	11.80	-30.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(CC)C1	REAL300020278447	0	47	-1.0	-38.84	383.70	8.78	-30.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(CC)C1	REAL300020278447	1	47	-1.0	-38.84	383.76	8.79	-30.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(CC)C1	REAL300020278448	0	44	-1.0	-41.64	342.56	6.79	-34.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(CC)C1	REAL300020278448	1	44	-1.0	-41.62	342.50	6.77	-34.85
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(CC)C1	REAL300020278449	0	51	-1.0	-40.49	420.12	10.46	-30.03
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(CC)C1	REAL300020278449	1	51	-1.0	-40.41	420.21	10.43	-29.98
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1	REAL300020278450	0	46	-1.0	-39.93	365.09	7.65	-32.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1	REAL300020278450	1	46	-1.0	-39.92	365.15	7.67	-32.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1	REAL300020278451	0	43	-1.0	-43.46	336.21	7.83	-35.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1	REAL300020278451	1	43	-1.0	-43.42	336.15	7.82	-35.60
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020278452	0	50	-1.0	-41.80	389.38	9.56	-32.24
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020278452	1	50	-1.0	-41.75	389.43	9.55	-32.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020278453	0	47	-1.0	-40.21	373.02	8.67	-31.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020278453	1	47	-1.0	-40.18	373.08	8.69	-31.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020278454	0	44	-1.0	-41.30	359.40	8.01	-33.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020278454	1	44	-1.0	-41.27	359.34	8.00	-33.27
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)(C)C1	REAL300020278455	0	51	-1.0	-41.42	403.68	10.74	-30.68
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)(C)C1	REAL300020278455	1	51	-1.0	-41.46	403.69	10.73	-30.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020278456	0	51	-1.0	-42.09	379.33	6.71	-35.38
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020278456	1	51	-1.0	-42.10	379.39	6.72	-35.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020278457	0	48	-1.0	-42.92	368.85	7.45	-35.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020278457	1	48	-1.0	-42.92	368.79	7.44	-35.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC)C1	REAL300020278458	0	50	-1.0	-40.42	379.74	6.46	-33.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC)C1	REAL300020278458	1	50	-1.0	-40.42	379.80	6.47	-33.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC)C1	REAL300020278459	0	47	-1.0	-44.55	368.21	7.01	-37.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC)C1	REAL300020278459	1	47	-1.0	-44.53	368.16	7.00	-37.53
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCC)C1	REAL300020278460	0	54	-1.0	-41.88	404.60	8.30	-33.58
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCC)C1	REAL300020278460	1	54	-1.0	-41.83	404.59	8.29	-33.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020278461	0	55	-1.0	-39.85	390.26	8.98	-30.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020278461	1	55	-1.0	-39.79	390.31	8.99	-30.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020278462	0	52	-1.0	-45.04	367.38	8.61	-36.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020278462	1	52	-1.0	-45.05	367.32	8.60	-36.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020278463	0	56	-1.0	-51.64	426.64	6.84	-44.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020278463	1	56	-1.0	-51.61	426.70	6.86	-44.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)CCC)C1	REAL300020278464	0	56	-1.0	-53.06	435.43	7.67	-45.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)CCC)C1	REAL300020278464	1	56	-1.0	-53.08	435.47	7.68	-45.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)CCC)C1	REAL300020278465	0	56	-1.0	-42.79	447.42	7.40	-35.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)CCC)C1	REAL300020278465	1	56	-1.0	-42.76	447.48	7.41	-35.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)CCC)C1	REAL300020278466	0	53	-1.0	-44.00	426.97	6.69	-37.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)CCC)C1	REAL300020278466	1	53	-1.0	-43.97	427.03	6.72	-37.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCCCC)C1	REAL300020278467	0	56	-1.0	-50.17	445.30	6.97	-43.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCCCC)C1	REAL300020278467	1	56	-1.0	-50.16	445.36	7.00	-43.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020278468	0	54	-1.0	-46.02	408.75	6.25	-39.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020278468	1	54	-1.0	-46.03	408.83	6.25	-39.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020278469	0	51	-1.0	-56.86	407.18	6.81	-50.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020278469	1	51	-1.0	-56.89	407.24	6.83	-50.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCCC)C1	REAL300020278470	0	56	-1.0	-49.21	442.55	7.27	-41.94
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCCC)C1	REAL300020278470	1	56	-1.0	-49.22	442.60	7.29	-41.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCCC)C1	REAL300020278471	0	53	-1.0	-50.36	423.80	6.20	-44.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCCC)C1	REAL300020278471	1	53	-1.0	-50.35	423.86	6.22	-44.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020278472	0	56	-1.0	-43.64	443.90	7.18	-36.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020278472	1	56	-1.0	-43.65	443.95	7.21	-36.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(=O)NC	REAL300020278473	0	46	-1.0	-50.80	377.45	4.39	-46.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(=O)NC	REAL300020278473	1	46	-1.0	-50.85	377.51	4.41	-46.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(=O)NC	REAL300020278474	0	43	-1.0	-50.77	360.50	3.49	-47.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(=O)NC	REAL300020278474	1	43	-1.0	-50.81	360.45	3.46	-47.35
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(=O)NC	REAL300020278475	0	50	-1.0	-52.31	405.24	6.44	-45.87
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(=O)NC	REAL300020278475	1	50	-1.0	-52.27	405.28	6.43	-45.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCCC)CC1	REAL300020278476	0	56	-1.0	-50.58	426.86	6.80	-43.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCCC)CC1	REAL300020278476	1	56	-1.0	-50.62	426.92	6.82	-43.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020278477	0	48	-1.0	-47.00	397.30	7.57	-39.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020278477	1	48	-1.0	-47.08	397.36	7.60	-39.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020278478	0	43	-1.0	-38.94	370.26	8.11	-30.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020278478	1	43	-1.0	-38.92	370.31	8.13	-30.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020278479	0	40	-1.0	-42.50	341.25	7.90	-34.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020278479	1	40	-1.0	-42.50	341.19	7.89	-34.61
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CSC=C1	REAL300020278480	0	47	-1.0	-40.95	400.29	10.13	-30.82
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CSC=C1	REAL300020278480	1	47	-1.0	-40.87	400.34	10.11	-30.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020278481	0	51	-1.0	-48.99	414.11	3.67	-45.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020278481	1	51	-1.0	-48.99	414.16	3.69	-45.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020278482	0	48	-1.0	-49.69	400.27	2.46	-47.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020278482	1	48	-1.0	-49.71	400.33	2.49	-47.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020278483	0	45	-1.0	-53.21	385.47	6.48	-46.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020278483	1	45	-1.0	-53.21	385.40	6.46	-46.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020278484	0	52	-1.0	-44.54	418.41	10.02	-34.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020278484	1	52	-1.0	-44.54	418.47	10.05	-34.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020278485	0	55	-1.0	-39.89	440.12	9.55	-30.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020278485	1	55	-1.0	-39.87	440.18	9.57	-30.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020278486	0	52	-1.0	-41.98	419.32	8.82	-33.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020278486	1	52	-1.0	-42.00	419.26	8.79	-33.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020278487	0	48	-1.0	-45.30	403.41	3.80	-41.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020278487	1	48	-1.0	-45.27	403.46	3.82	-41.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020278488	0	45	-1.0	-49.89	369.52	3.46	-46.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020278488	1	45	-1.0	-49.94	369.56	3.47	-46.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020278489	0	50	-1.0	-42.30	407.11	5.73	-36.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020278489	1	50	-1.0	-42.25	407.06	5.72	-36.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020278490	0	47	-1.0	-48.01	378.25	5.40	-42.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020278490	1	47	-1.0	-47.98	378.17	5.39	-42.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020278491	0	53	-1.0	-40.65	420.94	10.95	-29.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020278491	1	53	-1.0	-40.64	421.00	10.97	-29.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020278492	0	50	-1.0	-43.03	399.38	10.19	-32.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020278492	1	50	-1.0	-43.07	399.32	10.17	-32.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020278493	0	52	-1.0	-41.72	415.04	11.13	-30.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020278493	1	52	-1.0	-41.71	415.09	11.14	-30.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020278494	0	49	-1.0	-44.70	392.09	10.60	-34.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020278494	1	49	-1.0	-44.68	392.03	10.59	-34.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1	REAL300020278495	0	43	-1.0	-39.92	348.29	7.37	-32.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1	REAL300020278495	1	43	-1.0	-39.92	348.34	7.38	-32.54
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1	REAL300020278496	0	47	-1.0	-41.06	377.14	9.27	-31.79
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1	REAL300020278496	1	47	-1.0	-41.07	377.19	9.25	-31.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020278497	0	51	-1.0	-43.37	413.43	8.81	-34.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020278497	1	51	-1.0	-43.33	413.49	8.83	-34.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020278498	0	48	-1.0	-43.43	403.23	8.20	-35.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020278498	1	48	-1.0	-43.46	403.17	8.18	-35.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020278499	0	50	-1.0	-46.94	395.78	5.09	-41.85
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020278499	1	50	-1.0	-46.91	395.83	5.10	-41.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020278500	0	47	-1.0	-51.28	379.81	3.91	-47.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020278500	1	47	-1.0	-51.32	379.76	3.89	-47.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020278501	0	57	0.0	-74.88	436.02	8.15	-66.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020278501	1	57	0.0	-74.87	435.96	8.14	-66.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020278502	0	54	0.0	-69.48	408.89	7.27	-62.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020278502	1	54	0.0	-69.48	408.95	7.29	-62.19
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020278503	0	50	-1.0	-41.31	404.79	7.74	-33.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020278503	1	50	-1.0	-41.34	404.84	7.76	-33.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020278504	0	47	-1.0	-43.10	385.65	7.04	-36.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020278504	1	47	-1.0	-43.07	385.59	7.01	-36.06
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOCC1CC1	REAL300020278505	0	54	-1.0	-42.98	430.89	9.69	-33.29
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOCC1CC1	REAL300020278505	1	54	-1.0	-42.99	430.96	9.68	-33.31
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCCOC	REAL300020278506	0	53	-1.0	-43.15	428.29	6.03	-37.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCCOC	REAL300020278506	1	53	-1.0	-43.15	428.35	6.05	-37.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCCOC	REAL300020278507	0	50	-1.0	-43.68	411.68	5.25	-38.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCCOC	REAL300020278507	1	50	-1.0	-43.71	411.74	5.27	-38.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020278508	0	55	-1.0	-43.69	424.73	7.90	-35.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020278508	1	55	-1.0	-43.66	424.76	7.92	-35.74
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020278509	0	53	-1.0	-41.32	418.74	11.37	-29.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020278509	1	53	-1.0	-41.30	418.79	11.38	-29.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020278510	0	50	-1.0	-49.60	400.49	10.66	-38.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020278510	1	50	-1.0	-49.72	398.94	10.62	-39.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020278511	0	46	-1.0	-39.78	400.41	9.31	-30.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020278511	1	46	-1.0	-39.80	400.47	9.33	-30.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020278512	0	43	-1.0	-40.97	377.90	8.89	-32.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020278512	1	43	-1.0	-40.99	377.83	8.87	-32.12
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020278513	0	48	-1.0	-41.05	378.77	6.43	-34.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020278513	1	48	-1.0	-41.03	378.83	6.45	-34.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020278514	0	45	-1.0	-43.51	357.27	5.67	-37.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020278514	1	45	-1.0	-43.51	357.21	5.65	-37.86
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020278515	0	52	-1.0	-42.32	415.62	8.51	-33.81
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020278515	1	52	-1.0	-42.39	415.67	8.50	-33.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020278516	0	47	-1.0	-39.80	380.08	6.26	-33.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020278516	1	47	-1.0	-39.85	380.14	6.27	-33.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020278517	0	44	-1.0	-47.13	348.84	5.81	-41.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020278517	1	44	-1.0	-47.10	348.91	5.79	-41.31
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020278518	0	51	-1.0	-42.66	407.54	8.48	-34.18
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020278518	1	51	-1.0	-42.68	407.56	8.46	-34.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020278519	0	50	-1.0	-39.78	390.35	7.27	-32.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020278519	1	50	-1.0	-39.76	390.41	7.28	-32.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020278520	0	47	-1.0	-42.57	353.01	5.42	-37.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020278520	1	47	-1.0	-42.59	352.96	5.39	-37.20
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(C)C)C1	REAL300020278521	0	54	-1.0	-41.59	429.62	9.01	-32.58
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(C)C)C1	REAL300020278521	1	54	-1.0	-41.59	429.70	9.00	-32.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020278522	0	56	-1.0	-40.77	423.22	8.44	-32.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020278522	1	56	-1.0	-40.74	423.28	8.46	-32.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020278523	0	53	-1.0	-44.10	409.31	7.51	-36.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020278523	1	53	-1.0	-44.05	409.26	7.48	-36.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COC)C1	REAL300020278524	0	48	-1.0	-40.83	365.92	3.98	-36.85
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COC)C1	REAL300020278524	1	48	-1.0	-40.80	365.99	3.99	-36.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC)C1	REAL300020278525	0	45	-1.0	-44.16	348.79	3.33	-40.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC)C1	REAL300020278525	1	45	-1.0	-44.15	348.73	3.30	-40.85
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(COC)C1	REAL300020278526	0	52	-1.0	-43.44	395.94	5.96	-37.48
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(COC)C1	REAL300020278526	1	52	-1.0	-43.37	395.92	5.95	-37.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020278527	0	51	-1.0	-49.52	402.06	6.03	-43.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020278527	1	51	-1.0	-49.57	402.01	6.00	-43.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020278528	0	48	-1.0	-55.25	392.12	5.69	-49.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020278528	1	48	-1.0	-55.21	392.06	5.66	-49.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020278529	0	49	-1.0	-41.92	368.45	4.36	-37.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020278529	1	49	-1.0	-41.90	368.51	4.38	-37.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020278530	0	46	-1.0	-42.26	364.04	3.98	-38.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020278530	1	46	-1.0	-42.27	363.98	3.95	-38.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020278531	0	57	-1.0	-40.59	450.10	7.60	-32.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020278531	1	57	-1.0	-40.57	450.16	7.61	-32.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020278532	0	54	-1.0	-42.52	436.27	6.39	-36.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020278532	1	54	-1.0	-42.49	436.33	6.41	-36.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020278533	0	44	-1.0	-40.09	352.76	5.21	-34.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020278533	1	44	-1.0	-40.08	352.81	5.22	-34.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020278534	0	41	-1.0	-43.53	322.57	4.97	-38.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020278534	1	41	-1.0	-43.60	322.63	4.97	-38.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020278535	0	42	-1.0	-39.49	365.80	6.50	-32.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020278535	1	42	-1.0	-39.48	365.85	6.51	-32.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020278536	0	39	-1.0	-42.38	339.24	5.95	-36.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020278536	1	39	-1.0	-42.42	339.18	5.93	-36.49
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NC=CS1	REAL300020278537	0	46	-1.0	-41.57	396.19	8.49	-33.08
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NC=CS1	REAL300020278537	1	46	-1.0	-41.53	396.24	8.47	-33.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCC)C1	REAL300020278538	0	50	-1.0	-41.28	394.05	7.15	-34.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCC)C1	REAL300020278538	1	50	-1.0	-41.32	394.09	7.16	-34.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC)C1	REAL300020278539	0	47	-1.0	-42.86	379.21	6.57	-36.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC)C1	REAL300020278539	1	47	-1.0	-42.88	379.15	6.55	-36.33
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COCC)C1	REAL300020278540	0	54	-1.0	-42.06	424.44	9.16	-32.90
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COCC)C1	REAL300020278540	1	54	-1.0	-42.06	424.47	9.15	-32.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020278541	0	47	-1.0	-41.11	369.54	6.85	-34.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020278541	1	47	-1.0	-41.14	369.59	6.86	-34.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020278542	0	44	-1.0	-44.21	347.81	6.08	-38.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020278542	1	44	-1.0	-44.20	347.78	6.05	-38.15
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCOC1	REAL300020278543	0	51	-1.0	-42.29	410.44	8.31	-33.98
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCOC1	REAL300020278543	1	51	-1.0	-42.30	410.46	8.30	-34.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020278544	0	49	-1.0	-48.03	413.00	8.81	-39.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020278544	1	49	-1.0	-48.07	412.95	8.79	-39.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020278545	0	53	-1.0	-41.73	420.94	10.65	-31.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020278545	1	53	-1.0	-41.77	421.00	10.66	-31.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020278546	0	50	-1.0	-44.85	393.75	10.53	-34.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020278546	1	50	-1.0	-44.79	393.66	10.51	-34.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020278547	0	53	-1.0	-44.84	428.16	10.73	-34.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020278547	1	53	-1.0	-44.82	428.21	10.75	-34.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCC	REAL300020278548	0	53	-1.0	-43.82	428.60	6.39	-37.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCC	REAL300020278548	1	53	-1.0	-43.81	428.66	6.40	-37.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCC	REAL300020278549	0	50	-1.0	-43.35	412.14	5.60	-37.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCC	REAL300020278549	1	50	-1.0	-43.39	412.21	5.62	-37.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020278550	0	48	-1.0	-41.60	377.24	6.17	-35.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020278550	1	48	-1.0	-41.64	377.30	6.18	-35.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020278551	0	45	-1.0	-43.83	355.81	5.40	-38.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020278551	1	45	-1.0	-43.81	355.75	5.37	-38.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(CC)C=C2)C1	REAL300020278552	0	54	-1.0	-42.83	415.76	8.56	-34.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(CC)C=C2)C1	REAL300020278552	1	54	-1.0	-42.83	415.82	8.59	-34.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020278553	0	53	-1.0	-41.88	429.22	9.48	-32.40
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020278553	1	53	-1.0	-41.84	429.28	9.49	-32.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020278554	0	50	-1.0	-43.01	414.43	8.62	-34.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020278554	1	50	-1.0	-43.01	414.49	8.65	-34.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020278555	0	54	-1.0	-43.25	436.27	8.54	-34.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020278555	1	54	-1.0	-43.25	436.32	8.55	-34.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020278556	0	51	-1.0	-47.66	410.20	8.48	-39.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020278556	1	51	-1.0	-47.71	410.26	8.51	-39.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(CC)CC)CC1	REAL300020278557	0	55	-1.0	-50.20	428.30	7.97	-42.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(CC)CC)CC1	REAL300020278557	1	55	-1.0	-50.17	428.36	7.99	-42.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020278558	0	54	-1.0	-45.67	418.96	9.29	-36.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020278558	1	54	-1.0	-45.66	419.02	9.31	-36.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020278559	0	44	-1.0	-43.34	361.13	7.71	-35.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020278559	1	44	-1.0	-43.35	361.18	7.72	-35.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020278560	0	41	-1.0	-44.23	339.02	6.97	-37.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020278560	1	41	-1.0	-44.20	338.97	6.94	-37.26
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020278561	0	48	-1.0	-44.60	399.25	9.83	-34.77
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020278561	1	48	-1.0	-44.57	399.31	9.82	-34.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020278562	0	48	-1.0	-44.87	388.40	6.65	-38.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020278562	1	48	-1.0	-44.92	388.45	6.67	-38.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020278563	0	45	-1.0	-48.15	335.50	5.58	-42.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020278563	1	45	-1.0	-48.13	335.42	5.58	-42.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020278564	0	45	-1.0	-47.08	369.68	3.19	-43.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020278564	1	45	-1.0	-47.10	369.74	3.21	-43.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020278565	0	42	-1.0	-48.14	336.16	1.83	-46.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020278565	1	42	-1.0	-48.14	336.11	1.80	-46.34
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020278566	0	49	-1.0	-48.96	397.40	4.90	-44.06
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020278566	1	49	-1.0	-48.89	397.49	4.89	-44.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020278567	0	56	-1.0	-42.39	441.68	11.74	-30.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020278567	1	56	-1.0	-42.36	441.71	11.77	-30.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020278568	0	55	-1.0	-44.27	422.27	9.50	-34.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020278568	1	55	-1.0	-44.21	422.25	9.49	-34.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020278569	0	52	-1.0	-41.17	426.47	7.45	-33.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020278569	1	52	-1.0	-41.13	426.53	7.47	-33.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020278569	1	53	0.0	-70.86	426.10	10.12	-60.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020278570	0	49	-1.0	-44.31	396.21	7.02	-37.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020278570	1	49	-1.0	-44.28	396.26	7.03	-37.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020278570	1	50	0.0	-68.35	408.48	8.81	-59.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020278571	0	47	-1.0	-40.60	366.26	6.51	-34.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020278571	1	47	-1.0	-40.60	366.31	6.53	-34.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020278572	0	44	-1.0	-43.49	343.04	6.31	-37.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020278572	1	44	-1.0	-43.43	342.90	6.30	-37.13
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020278573	0	51	-1.0	-41.97	404.49	8.69	-33.28
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020278573	1	51	-1.0	-41.94	404.64	8.69	-33.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NS(=O)(=O)CC)CC1	REAL300020278574	0	51	-1.0	-50.65	413.93	3.44	-47.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NS(=O)(=O)CC)CC1	REAL300020278574	1	51	-1.0	-50.71	414.00	3.47	-47.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020278575	0	49	-1.0	-40.27	383.25	8.70	-31.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020278575	1	49	-1.0	-40.26	383.29	8.72	-31.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020278576	0	46	-1.0	-41.83	364.53	7.77	-34.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020278576	1	46	-1.0	-41.86	364.46	7.74	-34.12
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC)C1	REAL300020278577	0	53	-1.0	-42.43	391.22	9.65	-32.78
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC)C1	REAL300020278577	1	53	-1.0	-42.45	391.27	9.63	-32.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020278578	0	51	-1.0	-45.43	420.23	7.29	-38.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020278578	1	51	-1.0	-45.42	420.29	7.31	-38.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020278579	0	48	-1.0	-48.05	385.62	6.88	-41.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020278579	1	48	-1.0	-48.08	385.66	6.91	-41.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020278580	0	39	-1.0	-37.99	336.20	6.62	-31.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020278580	1	39	-1.0	-38.02	336.26	6.63	-31.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020278581	0	36	-1.0	-42.93	313.97	5.36	-37.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020278581	1	36	-1.0	-42.93	313.91	5.33	-37.60
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(F)(F)F	REAL300020278582	0	43	-1.0	-40.02	369.16	8.65	-31.37
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(F)(F)F	REAL300020278582	1	43	-1.0	-39.98	369.24	8.65	-31.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020278583	0	56	-1.0	-44.42	431.67	7.77	-36.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020278583	1	56	-1.0	-44.40	431.73	7.79	-36.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020278584	0	55	-1.0	-42.21	442.24	11.45	-30.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020278584	1	55	-1.0	-42.20	442.30	11.47	-30.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020278585	0	52	-1.0	-43.27	427.45	10.60	-32.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020278585	1	52	-1.0	-43.27	427.51	10.62	-32.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020278586	0	43	-1.0	-42.35	373.26	8.90	-33.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020278586	1	43	-1.0	-42.40	373.32	8.92	-33.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C#N	REAL300020278587	0	43	-1.0	-44.76	358.40	7.35	-37.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C#N	REAL300020278587	1	43	-1.0	-44.79	358.45	7.37	-37.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C#N	REAL300020278588	0	40	-1.0	-44.09	341.29	6.70	-37.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C#N	REAL300020278588	1	40	-1.0	-44.10	341.23	6.67	-37.43
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020278589	0	47	-1.0	-46.48	385.87	9.24	-37.24
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020278589	1	47	-1.0	-46.47	385.92	9.24	-37.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020278590	0	56	0.0	-62.11	421.34	10.18	-51.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020278590	1	56	0.0	-62.13	421.31	10.16	-51.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020278591	0	53	0.0	-61.86	402.39	8.80	-53.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020278591	1	53	0.0	-61.85	402.44	8.83	-53.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020278592	0	49	-1.0	-39.40	408.14	10.28	-29.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020278592	1	49	-1.0	-39.43	408.19	10.29	-29.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020278593	0	46	-1.0	-43.20	382.56	9.62	-33.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020278593	1	46	-1.0	-43.13	382.51	9.59	-33.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020278594	0	57	-1.0	-48.72	426.56	8.39	-40.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020278594	1	57	-1.0	-48.74	426.62	8.41	-40.33
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020278595	0	50	-1.0	-43.59	397.81	5.04	-38.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020278595	1	50	-1.0	-43.57	397.87	5.05	-38.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020278596	0	47	-1.0	-45.78	379.80	3.89	-41.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020278596	1	47	-1.0	-45.83	379.74	3.88	-41.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CCOC)C(CCC)C1	REAL300020278597	0	59	0.0	-66.54	426.95	7.53	-59.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CCOC)C(CCC)C1	REAL300020278597	1	59	0.0	-61.97	439.52	8.33	-53.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(CCC)C1	REAL300020278597	1	58	-1.0	-44.41	421.03	5.28	-39.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020278598	0	49	-1.0	-43.39	401.56	6.49	-36.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020278598	1	49	-1.0	-43.40	401.62	6.50	-36.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020278599	0	46	-1.0	-45.20	376.01	6.14	-39.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020278599	1	46	-1.0	-45.25	375.96	6.12	-39.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020278600	0	52	-1.0	-40.47	404.34	6.22	-34.25
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020278600	1	52	-1.0	-40.43	404.40	6.24	-34.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020278601	0	49	-1.0	-44.39	374.19	5.85	-38.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020278601	1	49	-1.0	-44.41	374.33	5.87	-38.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020278602	0	55	-1.0	-41.46	409.25	6.55	-34.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020278602	1	55	-1.0	-41.46	409.31	6.56	-34.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020278603	0	52	-1.0	-43.93	396.66	6.68	-37.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020278603	1	52	-1.0	-43.93	396.71	6.70	-37.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020278604	0	55	-1.0	-40.88	427.13	7.17	-33.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020278604	1	55	-1.0	-40.90	427.19	7.18	-33.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020278605	0	52	-1.0	-43.17	383.91	5.42	-37.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020278605	1	52	-1.0	-43.20	383.97	5.45	-37.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020278606	0	52	-1.0	-41.47	388.86	4.82	-36.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020278606	1	52	-1.0	-41.47	388.91	4.83	-36.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020278607	0	49	-1.0	-42.02	384.74	4.68	-37.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020278607	1	49	-1.0	-42.00	384.79	4.71	-37.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020278608	0	54	-1.0	-45.67	429.61	7.69	-37.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020278608	1	54	-1.0	-45.68	429.67	7.72	-37.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020278609	0	57	-1.0	-39.58	442.48	9.56	-30.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020278609	1	57	-1.0	-39.58	442.53	9.57	-30.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020278610	0	54	-1.0	-41.56	413.08	9.70	-31.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020278610	1	54	-1.0	-41.55	412.85	9.74	-31.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020278611	0	54	-1.0	-42.94	424.20	9.14	-33.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020278611	1	54	-1.0	-42.94	424.26	9.15	-33.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020278612	0	51	-1.0	-45.64	404.73	8.91	-36.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020278612	1	51	-1.0	-45.64	404.69	8.90	-36.74
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020278613	0	55	-1.0	-40.85	413.94	9.98	-30.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020278613	1	55	-1.0	-40.82	413.98	9.99	-30.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020278614	0	52	-1.0	-42.77	397.30	9.27	-33.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020278614	1	52	-1.0	-42.76	397.37	9.30	-33.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020278615	0	53	-1.0	-40.82	422.75	9.01	-31.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020278615	1	53	-1.0	-40.81	422.82	9.02	-31.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020278616	0	50	-1.0	-44.24	401.21	8.94	-35.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020278616	1	50	-1.0	-44.26	401.17	8.93	-35.33
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020278617	0	53	-1.0	-41.68	384.04	9.10	-32.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020278617	1	53	-1.0	-41.64	384.06	9.11	-32.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020278618	0	50	-1.0	-45.92	372.17	8.65	-37.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020278618	1	50	-1.0	-45.93	372.10	8.63	-37.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020278619	0	53	-1.0	-45.09	427.82	10.72	-34.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020278619	1	53	-1.0	-45.13	427.88	10.74	-34.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020278620	0	41	-1.0	-47.05	338.20	2.70	-44.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020278620	1	41	-1.0	-46.99	338.26	2.71	-44.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020278621	0	38	-1.0	-49.37	313.68	2.44	-46.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020278621	1	38	-1.0	-49.36	313.62	2.42	-46.94
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020278622	0	45	-1.0	-49.40	365.70	4.50	-44.90
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020278622	1	45	-1.0	-49.41	365.73	4.49	-44.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020278623	0	55	-1.0	-53.62	428.06	4.74	-48.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020278623	1	55	-1.0	-53.65	428.11	4.74	-48.91
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020278624	0	53	-1.0	-50.21	417.31	4.78	-45.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020278624	1	53	-1.0	-50.25	417.39	4.80	-45.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020278625	0	53	-1.0	-47.05	427.42	7.25	-39.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020278625	1	53	-1.0	-47.06	427.47	7.26	-39.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020278626	0	50	-1.0	-46.94	408.11	7.17	-39.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020278626	1	50	-1.0	-46.93	408.05	7.17	-39.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NCC)CC1	REAL300020278627	0	52	-1.0	-46.08	417.20	5.88	-40.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NCC)CC1	REAL300020278627	1	52	-1.0	-46.11	417.26	5.89	-40.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NCC)CC1	REAL300020278628	0	49	-1.0	-48.55	391.00	5.28	-43.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NCC)CC1	REAL300020278628	1	49	-1.0	-48.54	390.94	5.25	-43.29
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020278629	0	50	-1.0	-45.58	398.78	5.60	-39.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020278629	1	50	-1.0	-45.50	398.84	5.61	-39.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020278630	0	47	-1.0	-44.96	383.13	4.69	-40.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020278630	1	47	-1.0	-44.96	383.07	4.67	-40.29
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020278631	0	49	-1.0	-42.53	395.66	8.06	-34.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020278631	1	49	-1.0	-42.52	395.72	8.08	-34.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020278632	0	46	-1.0	-42.83	381.36	7.20	-35.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020278632	1	46	-1.0	-42.85	381.30	7.18	-35.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020278633	0	48	-1.0	-50.65	397.14	7.42	-43.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020278633	1	48	-1.0	-50.65	397.08	7.41	-43.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020278634	0	50	-1.0	-41.75	408.73	8.66	-33.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020278634	1	50	-1.0	-41.75	408.79	8.67	-33.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020278635	0	47	-1.0	-45.96	381.96	8.19	-37.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020278635	1	47	-1.0	-45.89	381.91	8.17	-37.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OCC)C(OC)=C1	REAL300020278636	0	54	-1.0	-45.81	433.42	8.70	-37.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OCC)C(OC)=C1	REAL300020278636	1	54	-1.0	-45.81	433.37	8.68	-37.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OCC)C=C1	REAL300020278637	0	53	-1.0	-40.92	424.53	9.19	-31.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OCC)C=C1	REAL300020278637	1	53	-1.0	-40.90	424.59	9.20	-31.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OCC)C=C1	REAL300020278638	0	50	-1.0	-43.55	404.20	8.81	-34.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OCC)C=C1	REAL300020278638	1	50	-1.0	-43.48	404.39	8.79	-34.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020278639	0	50	-1.0	-41.18	402.17	8.35	-32.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020278639	1	50	-1.0	-41.15	402.23	8.37	-32.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020278640	0	47	-1.0	-47.46	379.94	8.05	-39.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020278640	1	47	-1.0	-47.47	379.88	8.04	-39.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020278641	0	52	-1.0	-39.87	416.06	10.40	-29.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020278641	1	52	-1.0	-39.86	416.12	10.42	-29.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020278642	0	49	-1.0	-43.14	394.54	10.34	-32.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020278642	1	49	-1.0	-43.16	394.50	10.30	-32.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(CC)OC2=CC=CC=C21	REAL300020278643	0	52	-1.0	-45.13	415.11	10.62	-34.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(CC)OC2=CC=CC=C21	REAL300020278643	1	52	-1.0	-45.20	415.03	10.60	-34.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N(CC)CC)C=C1	REAL300020278644	0	57	-1.0	-44.14	447.98	10.89	-33.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N(CC)CC)C=C1	REAL300020278644	1	57	-1.0	-44.10	448.16	10.87	-33.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020278645	0	50	-1.0	-41.05	416.92	8.90	-32.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020278645	1	50	-1.0	-41.05	416.97	8.92	-32.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020278646	0	47	-1.0	-42.65	387.38	8.61	-34.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020278646	1	47	-1.0	-42.68	387.44	8.64	-34.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020278647	0	47	-1.0	-43.09	405.58	8.41	-34.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020278647	1	47	-1.0	-43.12	405.63	8.43	-34.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020278648	0	47	-1.0	-44.81	401.61	8.77	-36.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020278648	1	47	-1.0	-44.79	401.67	8.80	-35.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020278649	0	55	-1.0	-41.43	439.93	8.71	-32.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020278649	1	55	-1.0	-41.38	439.87	8.68	-32.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020278650	0	50	-1.0	-42.15	414.96	8.73	-33.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020278650	1	50	-1.0	-42.16	415.02	8.75	-33.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020278651	0	47	-1.0	-46.26	391.91	8.29	-37.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020278651	1	47	-1.0	-46.25	391.97	8.31	-37.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020278652	0	53	-1.0	-40.53	427.76	9.43	-31.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020278652	1	53	-1.0	-40.57	427.81	9.45	-31.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020278653	0	50	-1.0	-43.72	407.52	8.84	-34.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020278653	1	50	-1.0	-43.70	407.58	8.86	-34.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020278654	0	48	-1.0	-45.30	403.41	3.80	-41.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020278654	1	48	-1.0	-45.27	403.46	3.82	-41.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020278655	0	45	-1.0	-49.89	369.52	3.46	-46.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020278655	1	45	-1.0	-49.94	369.56	3.47	-46.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020278656	0	54	-1.0	-44.24	432.74	6.85	-37.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020278656	1	54	-1.0	-44.23	432.80	6.87	-37.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020278657	0	51	-1.0	-47.90	403.22	6.35	-41.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020278657	1	51	-1.0	-47.92	403.26	6.36	-41.56
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020278658	0	55	-1.0	-40.96	433.83	9.09	-31.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020278658	1	55	-1.0	-40.92	433.89	9.10	-31.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020278659	0	52	-1.0	-44.82	403.64	8.63	-36.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020278659	1	52	-1.0	-44.88	403.58	8.62	-36.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020278660	0	52	-1.0	-43.11	418.50	6.84	-36.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020278660	1	52	-1.0	-43.15	418.56	6.85	-36.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020278661	0	49	-1.0	-46.68	387.87	6.41	-40.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020278661	1	49	-1.0	-46.69	387.89	6.42	-40.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020278662	0	47	-1.0	-39.77	371.99	6.35	-33.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020278662	1	47	-1.0	-39.75	372.06	6.36	-33.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020278663	0	44	-1.0	-42.53	346.80	6.78	-35.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020278663	1	44	-1.0	-42.51	346.77	6.75	-35.76
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020278664	0	51	-1.0	-41.16	409.29	8.57	-32.59
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020278664	1	51	-1.0	-41.12	409.31	8.55	-32.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020278665	0	56	0.0	-68.67	436.10	10.92	-57.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020278665	1	56	0.0	-68.69	436.16	10.93	-57.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020278666	0	49	-1.0	-44.21	414.64	8.07	-36.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020278666	1	49	-1.0	-44.22	414.70	8.08	-36.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020278667	0	48	-1.0	-40.89	392.30	5.52	-35.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020278667	1	48	-1.0	-40.90	392.36	5.53	-35.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020278668	0	45	-1.0	-45.24	359.63	5.24	-40.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020278668	1	45	-1.0	-45.24	359.68	5.26	-39.98
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)CC1	REAL300020278669	0	52	-1.0	-42.34	411.80	4.85	-37.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)CC1	REAL300020278669	1	52	-1.0	-42.37	411.86	4.87	-37.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020278669	1	53	0.0	-68.67	413.38	7.16	-61.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)CC1	REAL300020278670	0	49	-1.0	-46.14	382.32	4.43	-41.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)CC1	REAL300020278670	1	49	-1.0	-46.14	382.38	4.44	-41.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020278670	1	50	0.0	-64.95	396.01	6.24	-58.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020278671	0	49	-1.0	-45.28	396.44	8.13	-37.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020278671	1	49	-1.0	-45.27	396.50	8.15	-37.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020278672	0	46	-1.0	-46.35	380.04	7.12	-39.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020278672	1	46	-1.0	-46.33	379.98	7.09	-39.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC	REAL300020278673	0	46	-1.0	-41.32	373.12	6.16	-35.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC	REAL300020278673	1	46	-1.0	-41.32	373.17	6.18	-35.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC	REAL300020278674	0	43	-1.0	-41.92	354.55	5.35	-36.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC	REAL300020278674	1	43	-1.0	-41.92	354.49	5.32	-36.60
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOCC	REAL300020278675	0	50	-1.0	-42.82	400.90	8.21	-34.61
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOCC	REAL300020278675	1	50	-1.0	-42.75	400.93	8.21	-34.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020278676	0	53	-1.0	-46.00	418.51	5.53	-40.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020278676	1	53	-1.0	-46.01	418.56	5.55	-40.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020278677	0	50	-1.0	-47.36	401.48	4.59	-42.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020278677	1	50	-1.0	-47.32	401.54	4.61	-42.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020278678	0	58	-1.0	-42.09	451.62	6.52	-35.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020278678	1	58	-1.0	-42.06	451.68	6.54	-35.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020278678	1	59	0.0	-68.77	455.51	8.88	-59.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020278679	0	55	-1.0	-46.07	424.45	6.16	-39.91
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020278679	1	55	-1.0	-46.08	424.50	6.17	-39.91
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020278679	1	56	0.0	-65.23	436.10	7.90	-57.33
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020278680	0	51	-1.0	-39.07	429.92	4.38	-34.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020278680	1	51	-1.0	-39.00	429.98	4.39	-34.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020278681	0	48	-1.0	-41.49	400.71	4.13	-37.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020278681	1	48	-1.0	-41.48	400.77	4.15	-37.33
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020278682	0	53	-1.0	-41.90	405.08	7.59	-34.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020278682	1	53	-1.0	-41.89	405.12	7.60	-34.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020278683	0	50	-1.0	-42.50	396.38	6.81	-35.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020278683	1	50	-1.0	-42.51	396.43	6.83	-35.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020278684	0	51	-1.0	-40.30	395.92	7.87	-32.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020278684	1	51	-1.0	-40.29	395.98	7.89	-32.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020278685	0	48	-1.0	-42.00	370.75	6.52	-35.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020278685	1	48	-1.0	-41.98	370.70	6.49	-35.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020278686	0	57	0.0	-70.71	430.31	7.99	-62.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020278686	1	57	0.0	-70.69	430.25	7.98	-62.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020278687	0	54	0.0	-65.76	407.04	6.72	-59.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020278687	1	54	0.0	-65.76	407.10	6.75	-59.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020278688	0	49	-1.0	-47.71	407.51	8.67	-39.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020278688	1	49	-1.0	-47.67	407.45	8.65	-39.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020278689	0	54	-1.0	-40.99	433.63	9.38	-31.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020278689	1	54	-1.0	-40.96	433.68	9.40	-31.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020278690	0	51	-1.0	-44.85	406.80	8.62	-36.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020278690	1	51	-1.0	-44.82	406.74	8.59	-36.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020278691	0	48	-1.0	-45.25	392.38	6.67	-38.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020278691	1	48	-1.0	-45.28	392.45	6.68	-38.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020278692	0	57	0.0	-71.18	433.01	7.92	-63.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020278692	1	57	0.0	-71.21	433.06	7.95	-63.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020278693	0	61	0.0	-71.84	457.35	10.85	-60.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020278693	1	61	0.0	-69.40	461.53	10.66	-58.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020278693	1	61	0.0	-71.84	457.41	10.87	-60.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020278693	1	61	0.0	-69.40	461.59	10.68	-58.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020278694	0	62	0.0	-72.53	442.67	11.07	-61.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020278694	1	62	0.0	-72.52	442.73	11.08	-61.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020278695	0	43	-1.0	-45.32	374.57	9.52	-35.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020278695	1	43	-1.0	-45.34	374.51	9.51	-35.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020278696	0	51	-1.0	-54.54	411.01	3.84	-50.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020278696	1	51	-1.0	-54.54	411.06	3.86	-50.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020278697	0	53	0.0	-68.98	430.25	10.06	-58.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020278697	1	53	0.0	-68.98	430.30	10.09	-58.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020278698	0	53	-1.0	-47.97	419.19	8.79	-39.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020278698	1	53	-1.0	-47.96	419.24	8.81	-39.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020278699	0	53	-1.0	-41.49	416.58	10.61	-30.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020278699	1	53	-1.0	-41.50	416.62	10.62	-30.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020278700	0	50	-1.0	-43.31	398.70	9.96	-33.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020278700	1	50	-1.0	-43.23	398.64	9.93	-33.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020278701	0	45	-1.0	-54.97	381.48	3.64	-51.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020278701	1	45	-1.0	-54.96	381.54	3.65	-51.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020278702	0	42	-1.0	-54.75	366.74	2.81	-51.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020278702	1	42	-1.0	-54.76	366.69	2.78	-51.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020278703	0	49	-1.0	-46.41	405.53	8.85	-37.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020278703	1	49	-1.0	-46.35	405.60	8.86	-37.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020278704	0	55	-1.0	-42.81	431.52	9.55	-33.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020278704	1	55	-1.0	-42.83	431.57	9.57	-33.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C2(CCCCC2)C1	REAL300020278705	0	57	-1.0	-49.62	414.28	9.13	-40.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C2(CCCCC2)C1	REAL300020278705	1	57	-1.0	-49.68	414.34	9.14	-40.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020278706	0	48	-1.0	-41.75	403.46	8.34	-33.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020278706	1	48	-1.0	-41.75	403.50	8.36	-33.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020278707	0	45	-1.0	-42.33	374.25	7.82	-34.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020278707	1	45	-1.0	-42.34	374.30	7.85	-34.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020278708	0	55	-1.0	-42.35	424.72	9.99	-32.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020278708	1	55	-1.0	-42.37	424.79	10.03	-32.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020278709	0	52	-1.0	-41.93	409.62	5.82	-36.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020278709	1	52	-1.0	-41.92	409.67	5.83	-36.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020278710	0	49	-1.0	-48.25	381.81	5.77	-42.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020278710	1	49	-1.0	-48.22	381.87	5.79	-42.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1	REAL300020278711	0	46	-1.0	-40.32	362.33	7.81	-32.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1	REAL300020278711	1	46	-1.0	-40.33	362.39	7.82	-32.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1	REAL300020278712	0	43	-1.0	-43.66	339.56	7.43	-36.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1	REAL300020278712	1	43	-1.0	-43.68	339.50	7.41	-36.27
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)C1	REAL300020278713	0	50	-1.0	-41.55	397.59	9.92	-31.63
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)C1	REAL300020278713	1	50	-1.0	-41.57	397.58	9.92	-31.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020278714	0	47	-1.0	-41.43	367.01	8.23	-33.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020278714	1	47	-1.0	-41.33	367.07	8.25	-33.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020278715	0	44	-1.0	-44.18	341.25	8.21	-35.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020278715	1	44	-1.0	-44.13	341.12	8.20	-35.93
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020278716	0	51	-1.0	-41.68	395.31	10.03	-31.65
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020278716	1	51	-1.0	-41.64	395.44	10.02	-31.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020278717	0	51	-1.0	-47.80	407.32	11.02	-36.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020278717	1	51	-1.0	-47.84	407.36	11.03	-36.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020278718	0	53	-1.0	-42.69	433.02	9.21	-33.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020278718	1	53	-1.0	-42.67	433.08	9.22	-33.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020278719	0	50	-1.0	-42.89	416.84	8.44	-34.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020278719	1	50	-1.0	-42.87	416.90	8.46	-34.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020278720	0	43	-1.0	-42.28	374.70	9.58	-32.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020278720	1	43	-1.0	-42.29	374.65	9.56	-32.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020278721	0	54	-1.0	-43.11	425.23	7.90	-35.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020278721	1	54	-1.0	-43.04	425.28	7.92	-35.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020278722	0	51	-1.0	-47.30	395.58	7.52	-39.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020278722	1	51	-1.0	-47.34	395.64	7.54	-39.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020278723	0	54	-1.0	-47.27	423.34	6.69	-40.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020278723	1	54	-1.0	-47.34	423.39	6.70	-40.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020278724	0	51	-1.0	-51.42	399.15	6.41	-45.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020278724	1	51	-1.0	-51.48	399.21	6.42	-45.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020278725	0	41	-1.0	-44.05	347.44	6.95	-37.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020278725	1	41	-1.0	-44.02	347.50	6.97	-37.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020278726	0	38	-1.0	-49.78	317.83	6.56	-43.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020278726	1	38	-1.0	-49.77	317.83	6.55	-43.22
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020278727	0	45	-1.0	-46.36	380.08	8.98	-37.38
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020278727	1	45	-1.0	-46.32	380.14	8.97	-37.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020278728	0	53	-1.0	-40.45	417.86	8.14	-32.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020278728	1	53	-1.0	-40.49	417.92	8.16	-32.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020278729	0	50	-1.0	-41.64	396.37	7.36	-34.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020278729	1	50	-1.0	-41.61	396.42	7.38	-34.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020278730	0	58	-1.0	-39.75	439.14	10.67	-29.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020278730	1	58	-1.0	-39.78	439.20	10.68	-29.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020278731	0	55	-1.0	-42.49	413.90	11.08	-31.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020278731	1	55	-1.0	-42.49	413.97	11.10	-31.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020278732	0	55	-1.0	-39.99	420.75	10.01	-29.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020278732	1	55	-1.0	-40.00	420.80	10.02	-29.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020278733	0	52	-1.0	-43.96	382.42	8.79	-35.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020278733	1	52	-1.0	-43.95	382.48	8.81	-35.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020278739	0	55	0.0	-64.06	408.91	8.72	-55.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020278739	1	55	0.0	-64.01	408.97	8.74	-55.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020278741	0	51	-1.0	-44.10	418.00	6.65	-37.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020278741	1	51	-1.0	-44.11	418.05	6.67	-37.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020278742	0	48	-1.0	-44.65	395.92	5.89	-38.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020278742	1	48	-1.0	-44.67	395.98	5.92	-38.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020278743	0	51	-1.0	-42.53	418.49	6.68	-35.85
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020278743	1	51	-1.0	-42.55	418.55	6.69	-35.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020278744	0	48	-1.0	-43.40	395.36	5.61	-37.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020278744	1	48	-1.0	-43.47	395.41	5.64	-37.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020278745	0	48	-1.0	-47.47	391.98	5.27	-42.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020278745	1	48	-1.0	-47.49	392.00	5.29	-42.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020278746	0	49	-1.0	-42.56	410.29	9.79	-32.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020278746	1	49	-1.0	-42.54	410.35	9.80	-32.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020278747	0	46	-1.0	-43.86	390.07	9.09	-34.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020278747	1	46	-1.0	-43.83	390.01	9.06	-34.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020278748	0	48	-1.0	-41.37	367.80	8.31	-33.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020278748	1	48	-1.0	-41.41	367.85	8.33	-33.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020278749	0	45	-1.0	-41.74	348.12	7.57	-34.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020278749	1	45	-1.0	-41.76	348.07	7.54	-34.22
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020278750	0	52	-1.0	-42.11	400.89	9.21	-32.90
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020278750	1	52	-1.0	-42.10	400.90	9.20	-32.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020278751	0	50	-1.0	-39.53	386.46	7.56	-31.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020278751	1	50	-1.0	-39.50	386.52	7.57	-31.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020278752	0	47	-1.0	-41.87	373.55	6.67	-35.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020278752	1	47	-1.0	-41.86	373.49	6.64	-35.22
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCCO1	REAL300020278753	0	54	-1.0	-42.28	418.27	9.87	-32.41
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCCO1	REAL300020278753	1	54	-1.0	-42.30	418.34	9.86	-32.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020278754	0	47	-1.0	-41.43	388.25	5.10	-36.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020278754	1	47	-1.0	-41.43	388.30	5.12	-36.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020278755	0	44	-1.0	-44.97	359.73	4.81	-40.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020278755	1	44	-1.0	-44.95	359.80	4.83	-40.12
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020278756	0	50	-1.0	-50.00	405.59	5.75	-44.25
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020278756	1	50	-1.0	-49.97	405.66	5.76	-44.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020278757	0	47	-1.0	-48.84	385.55	5.67	-43.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020278757	1	47	-1.0	-48.80	385.49	5.65	-43.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCCCCC	REAL300020278758	0	60	-1.0	-40.23	468.33	11.55	-28.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCCCCC	REAL300020278758	1	60	-1.0	-40.21	468.38	11.57	-28.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020278765	0	58	-1.0	-40.04	447.28	11.30	-28.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020278765	1	58	-1.0	-40.02	447.33	11.31	-28.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020278766	0	55	-1.0	-43.15	429.06	10.92	-32.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020278766	1	55	-1.0	-43.09	429.24	10.88	-32.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020278767	0	46	-1.0	-39.55	386.47	9.18	-30.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020278767	1	46	-1.0	-39.54	386.53	9.20	-30.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020278768	0	43	-1.0	-42.18	358.98	8.65	-33.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020278768	1	43	-1.0	-42.15	358.92	8.63	-33.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020278769	0	49	-1.0	-39.87	391.34	9.55	-30.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020278769	1	49	-1.0	-39.91	391.40	9.56	-30.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020278770	0	46	-1.0	-42.96	363.10	9.57	-33.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020278770	1	46	-1.0	-42.93	363.05	9.54	-33.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020278771	0	47	-1.0	-46.35	391.19	8.45	-37.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020278771	1	47	-1.0	-46.33	391.24	8.47	-37.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020278772	0	55	-1.0	-40.58	422.00	10.62	-29.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020278772	1	55	-1.0	-40.64	422.06	10.64	-30.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020278773	0	52	-1.0	-43.15	413.07	10.52	-32.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020278773	1	52	-1.0	-43.15	413.26	10.49	-32.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020278774	0	55	-1.0	-44.22	426.13	9.26	-34.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020278774	1	55	-1.0	-44.24	426.19	9.28	-34.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020278775	0	46	-1.0	-39.85	387.69	9.49	-30.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020278775	1	46	-1.0	-39.83	387.76	9.50	-30.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020278776	0	43	-1.0	-42.32	369.58	9.10	-33.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020278776	1	43	-1.0	-42.24	369.76	9.08	-33.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020278777	0	54	-1.0	-42.02	432.81	9.67	-32.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020278777	1	54	-1.0	-42.02	432.86	9.68	-32.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020278778	0	51	-1.0	-47.80	402.61	9.38	-38.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020278778	1	51	-1.0	-47.78	402.57	9.37	-38.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020278779	0	52	0.0	-68.71	378.12	7.53	-61.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020278779	1	52	0.0	-64.70	393.82	8.64	-56.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)C(C)C1	REAL300020278779	1	51	-1.0	-39.97	394.75	6.03	-33.94
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)C(C)C1	REAL300020278779	1	51	-1.0	-39.97	394.80	6.04	-33.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020278780	0	49	0.0	-62.78	375.94	7.74	-55.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020278780	1	49	0.0	-61.90	372.36	7.59	-54.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020278780	1	49	0.0	-62.77	375.89	7.72	-55.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020278780	1	49	0.0	-61.91	372.30	7.57	-54.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)C(C)C1	REAL300020278780	1	48	-1.0	-44.18	365.18	5.87	-38.31
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020278781	0	56	0.0	-74.67	411.04	9.51	-65.16
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020278781	1	56	0.0	-70.12	422.49	10.38	-59.74
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC)C(C)C1	REAL300020278781	1	55	-1.0	-41.62	427.11	8.10	-33.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020278782	0	54	-1.0	-50.94	415.68	8.14	-42.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020278782	1	54	-1.0	-50.96	415.74	8.15	-42.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020278783	0	51	-1.0	-53.92	391.98	7.89	-46.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020278783	1	51	-1.0	-53.95	392.03	7.91	-46.04
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020278784	0	50	-1.0	-42.00	387.22	7.10	-34.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020278784	1	50	-1.0	-41.98	387.27	7.11	-34.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020278785	0	47	-1.0	-43.75	369.59	6.54	-37.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020278785	1	47	-1.0	-43.78	369.53	6.51	-37.27
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCOCC1	REAL300020278786	0	54	-1.0	-43.54	427.65	9.35	-34.19
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCOCC1	REAL300020278786	1	54	-1.0	-43.58	427.66	9.33	-34.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(=C)C1	REAL300020278787	0	44	-1.0	-40.67	350.33	7.74	-32.93
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(=C)C1	REAL300020278787	1	44	-1.0	-40.72	350.38	7.76	-32.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(=C)C1	REAL300020278788	0	41	-1.0	-42.89	329.93	7.66	-35.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(=C)C1	REAL300020278788	1	41	-1.0	-42.92	329.88	7.64	-35.28
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(=C)C1	REAL300020278789	0	48	-1.0	-41.34	383.86	9.80	-31.54
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(=C)C1	REAL300020278789	1	48	-1.0	-41.35	383.91	9.78	-31.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC	REAL300020278790	0	48	-1.0	-40.26	376.45	8.40	-31.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC	REAL300020278790	1	48	-1.0	-40.28	376.51	8.41	-31.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC	REAL300020278791	0	45	-1.0	-41.38	357.25	7.45	-33.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC	REAL300020278791	1	45	-1.0	-41.40	357.20	7.42	-33.98
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)CC	REAL300020278792	0	52	-1.0	-42.37	401.74	10.41	-31.96
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)CC	REAL300020278792	1	52	-1.0	-42.32	401.78	10.40	-31.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020278793	0	47	-1.0	-43.43	384.71	8.19	-35.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020278793	1	47	-1.0	-43.41	384.77	8.21	-35.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020278794	0	44	-1.0	-45.53	335.12	6.78	-38.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020278794	1	44	-1.0	-45.47	335.08	6.75	-38.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020278795	0	49	-1.0	-45.42	410.55	9.47	-35.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020278795	1	49	-1.0	-45.48	410.67	9.49	-35.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020278796	0	50	-1.0	-43.20	409.87	11.32	-31.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020278796	1	50	-1.0	-43.19	409.95	11.33	-31.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020278797	0	50	-1.0	-42.58	401.38	9.92	-32.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020278797	1	50	-1.0	-42.58	401.44	9.93	-32.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020278798	0	47	-1.0	-44.93	379.92	10.00	-34.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020278798	1	47	-1.0	-44.91	379.86	9.98	-34.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020278799	0	50	-1.0	-40.53	409.91	10.32	-30.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020278799	1	50	-1.0	-40.53	409.97	10.33	-30.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020278800	0	47	-1.0	-43.63	384.17	9.28	-34.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020278800	1	47	-1.0	-43.63	384.12	9.26	-34.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020278801	0	54	-1.0	-44.51	422.39	10.24	-34.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020278801	1	54	-1.0	-44.51	422.47	10.26	-34.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020278802	0	55	-1.0	-39.23	409.99	9.34	-29.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020278802	1	55	-1.0	-39.25	410.05	9.36	-29.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020278803	0	52	-1.0	-41.62	391.91	8.44	-33.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020278803	1	52	-1.0	-41.58	391.97	8.46	-33.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020278804	0	56	-1.0	-44.05	446.38	11.43	-32.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020278804	1	56	-1.0	-44.05	446.44	11.45	-32.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020278805	0	52	-1.0	-39.70	429.11	9.10	-30.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020278805	1	52	-1.0	-39.73	429.17	9.11	-30.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020278806	0	49	-1.0	-42.77	402.38	8.52	-34.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020278806	1	49	-1.0	-42.78	402.43	8.53	-34.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1	REAL300020278807	0	43	-1.0	-40.93	341.89	7.29	-33.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1	REAL300020278807	1	43	-1.0	-40.89	341.94	7.31	-33.58
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1	REAL300020278808	0	47	-1.0	-42.52	368.14	9.22	-33.30
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1	REAL300020278808	1	47	-1.0	-42.49	368.16	9.21	-33.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020278809	0	50	-1.0	-39.39	389.09	8.86	-30.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020278809	1	50	-1.0	-39.42	389.15	8.87	-30.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020278810	0	47	-1.0	-42.19	367.46	8.09	-34.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020278810	1	47	-1.0	-42.18	367.40	8.07	-34.11
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020278811	0	54	-1.0	-40.92	416.38	10.78	-30.14
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020278811	1	54	-1.0	-40.93	416.38	10.77	-30.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020278812	0	50	-1.0	-40.86	389.43	6.98	-33.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020278812	1	50	-1.0	-40.86	389.49	7.00	-33.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020278813	0	47	-1.0	-41.53	379.16	6.52	-35.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020278813	1	47	-1.0	-41.49	379.10	6.49	-35.00
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020278814	0	54	-1.0	-40.86	433.56	9.04	-31.82
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020278814	1	54	-1.0	-40.88	433.58	9.01	-31.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020278815	0	55	-1.0	-42.89	439.56	9.00	-33.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020278815	1	55	-1.0	-42.90	439.62	9.03	-33.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020278816	0	53	-1.0	-46.77	394.47	7.38	-39.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020278816	1	53	-1.0	-46.75	394.53	7.39	-39.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020278817	0	50	-1.0	-48.97	382.39	7.21	-41.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020278817	1	50	-1.0	-49.00	382.33	7.18	-41.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020278818	0	52	-1.0	-45.90	412.03	9.25	-36.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020278818	1	52	-1.0	-45.87	411.98	9.23	-36.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020278819	0	46	-1.0	-53.29	364.32	3.03	-50.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020278819	1	46	-1.0	-53.33	364.38	3.04	-50.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020278820	0	43	-1.0	-58.40	342.88	2.26	-56.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020278820	1	43	-1.0	-58.36	342.82	2.23	-56.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020278821	0	47	-1.0	-41.86	382.62	8.35	-33.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020278821	1	47	-1.0	-41.87	382.68	8.37	-33.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020278822	0	44	-1.0	-43.52	359.76	7.29	-36.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020278822	1	44	-1.0	-43.52	359.71	7.26	-36.26
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020278823	0	51	-1.0	-44.79	406.88	10.19	-34.60
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020278823	1	51	-1.0	-44.79	406.90	10.18	-34.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020278824	0	48	-1.0	-40.18	379.60	6.88	-33.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020278824	1	48	-1.0	-40.19	379.66	6.89	-33.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020278825	0	45	-1.0	-41.92	358.53	5.86	-36.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020278825	1	45	-1.0	-41.95	358.48	5.83	-36.12
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020278826	0	52	-1.0	-42.03	415.49	9.07	-32.96
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020278826	1	52	-1.0	-42.06	415.54	9.06	-33.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020278827	0	50	-1.0	-42.04	412.96	8.13	-33.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020278827	1	50	-1.0	-42.02	412.91	8.12	-33.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020278828	0	47	-1.0	-45.09	376.32	6.93	-38.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020278828	1	47	-1.0	-45.08	376.27	6.91	-38.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CC)C1	REAL300020278829	0	50	-1.0	-40.35	389.95	7.07	-33.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CC)C1	REAL300020278829	1	50	-1.0	-40.36	390.01	7.09	-33.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CC)C1	REAL300020278830	0	47	-1.0	-42.27	368.85	6.34	-35.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CC)C1	REAL300020278830	1	47	-1.0	-42.27	368.79	6.31	-35.96
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(CC)C1	REAL300020278831	0	54	-1.0	-42.29	412.98	9.18	-33.11
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(CC)C1	REAL300020278831	1	54	-1.0	-42.28	413.03	9.18	-33.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020278832	0	49	-1.0	-49.38	401.94	4.72	-44.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020278832	1	49	-1.0	-49.41	402.00	4.73	-44.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020278833	0	46	-1.0	-53.75	373.58	5.11	-48.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020278833	1	46	-1.0	-53.73	373.60	5.12	-48.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020278834	0	54	-1.0	-40.61	408.04	5.70	-34.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020278834	1	54	-1.0	-40.61	408.12	5.70	-34.91
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020278835	0	51	-1.0	-42.58	413.12	6.06	-36.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020278835	1	51	-1.0	-42.55	413.18	6.08	-36.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020278836	0	48	-1.0	-54.48	402.95	4.52	-49.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020278836	1	48	-1.0	-54.48	403.00	4.54	-49.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020278837	0	45	-1.0	-54.22	385.93	3.60	-50.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020278837	1	45	-1.0	-54.18	385.99	3.64	-50.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020278838	0	48	-1.0	-43.18	385.95	6.60	-36.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020278838	1	48	-1.0	-43.18	386.01	6.62	-36.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020278839	0	45	-1.0	-47.64	351.56	6.31	-41.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020278839	1	45	-1.0	-47.62	351.53	6.30	-41.32
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020278840	0	52	-1.0	-44.43	417.39	8.60	-35.83
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020278840	1	52	-1.0	-44.40	417.45	8.58	-35.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020278841	0	48	-1.0	-41.61	399.62	7.94	-33.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020278841	1	48	-1.0	-41.61	399.68	7.95	-33.66
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020278842	0	45	-1.0	-44.07	384.29	7.09	-36.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020278842	1	45	-1.0	-44.07	384.23	7.07	-37.00
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020278843	0	46	-1.0	-45.84	354.60	4.96	-40.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020278843	1	46	-1.0	-45.87	354.66	4.98	-40.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020278844	0	43	-1.0	-48.24	356.42	4.84	-43.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020278844	1	43	-1.0	-48.22	356.36	4.81	-43.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020278845	0	46	-1.0	-42.87	360.02	7.21	-35.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020278845	1	46	-1.0	-42.89	360.07	7.23	-35.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020278846	0	43	-1.0	-44.19	337.50	6.38	-37.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020278846	1	43	-1.0	-44.18	337.56	6.40	-37.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020278847	0	50	-1.0	-41.14	403.80	9.14	-32.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020278847	1	50	-1.0	-41.11	403.86	9.15	-31.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020278848	0	47	-1.0	-43.96	383.20	8.61	-35.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020278848	1	47	-1.0	-43.95	383.14	8.59	-35.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCOC)CC1	REAL300020278849	0	54	-1.0	-50.11	428.63	5.17	-44.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCOC)CC1	REAL300020278849	1	54	-1.0	-50.11	428.68	5.19	-44.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020278850	0	54	-1.0	-44.69	428.74	5.80	-38.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020278850	1	54	-1.0	-44.69	428.81	5.82	-38.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NCC)CC1	REAL300020278851	0	55	-1.0	-47.93	439.98	4.16	-43.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NCC)CC1	REAL300020278851	1	55	-1.0	-47.94	440.03	4.17	-43.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NCC)CC1	REAL300020278852	0	52	-1.0	-53.59	407.44	3.92	-49.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NCC)CC1	REAL300020278852	1	52	-1.0	-53.62	407.49	3.94	-49.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020278853	0	50	-1.0	-42.76	398.58	5.62	-37.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020278853	1	50	-1.0	-42.75	398.63	5.64	-37.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020278854	0	47	-1.0	-44.67	385.27	4.86	-39.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020278854	1	47	-1.0	-44.68	385.20	4.83	-39.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)OCC)C1	REAL300020278855	0	54	-1.0	-44.41	418.39	5.77	-38.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)OCC)C1	REAL300020278855	1	54	-1.0	-44.38	418.44	5.78	-38.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)OCC)C1	REAL300020278856	0	51	-1.0	-42.92	417.85	5.50	-37.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)OCC)C1	REAL300020278856	1	51	-1.0	-42.93	417.91	5.53	-37.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020278857	0	49	-1.0	-40.91	404.45	10.01	-30.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020278857	1	49	-1.0	-40.94	404.50	10.04	-30.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020278858	0	46	-1.0	-43.05	384.51	9.05	-34.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020278858	1	46	-1.0	-43.03	384.45	9.03	-34.00
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020278859	0	59	0.0	-67.55	438.97	10.39	-57.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020278859	1	59	0.0	-67.55	439.03	10.40	-57.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020278860	0	56	0.0	-62.82	420.12	9.36	-53.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020278860	1	56	0.0	-62.84	420.18	9.38	-53.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020278861	0	55	-1.0	-44.93	420.58	9.16	-35.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020278861	1	55	-1.0	-44.95	420.62	9.17	-35.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020278862	0	50	-1.0	-49.34	399.75	8.07	-41.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020278862	1	50	-1.0	-49.35	399.80	8.10	-41.25
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020278863	0	56	0.0	-67.33	422.06	9.83	-57.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020278863	1	56	0.0	-67.24	422.00	9.82	-57.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020278864	0	53	0.0	-64.21	402.81	9.11	-55.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020278864	1	53	0.0	-64.19	402.86	9.13	-55.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020278865	0	62	0.0	-70.70	461.00	11.30	-59.40
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020278865	1	62	0.0	-70.69	461.06	11.31	-59.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020278866	0	59	0.0	-66.90	443.73	10.32	-56.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020278866	1	59	0.0	-66.87	443.79	10.34	-56.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020278867	0	52	0.0	-66.13	397.51	8.55	-57.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)CC1	REAL300020278867	1	51	-1.0	-40.06	392.40	6.22	-33.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020278867	1	51	-1.0	-40.07	392.46	6.24	-33.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020278868	0	49	0.0	-61.71	372.48	7.23	-54.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020278868	1	49	0.0	-61.74	372.42	7.20	-54.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020278868	1	48	-1.0	-42.49	366.93	5.56	-36.93
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020278869	0	56	0.0	-70.94	418.51	10.17	-60.77
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)C)CC1	REAL300020278869	1	55	-1.0	-41.08	421.34	7.81	-33.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC	REAL300020278870	0	43	-1.0	-41.35	351.26	5.18	-36.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC	REAL300020278870	1	43	-1.0	-41.40	351.32	5.20	-36.20
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC	REAL300020278871	0	47	-1.0	-43.01	379.04	7.23	-35.78
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC	REAL300020278871	1	47	-1.0	-42.91	379.08	7.23	-35.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC	REAL300020278872	0	49	-1.0	-40.47	378.31	7.39	-33.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC	REAL300020278872	1	49	-1.0	-40.46	378.37	7.40	-33.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC	REAL300020278873	0	46	-1.0	-44.08	358.85	6.79	-37.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC	REAL300020278873	1	46	-1.0	-44.07	358.79	6.77	-37.30
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1CC	REAL300020278874	0	53	-1.0	-41.77	412.56	10.02	-31.75
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1CC	REAL300020278874	1	53	-1.0	-41.80	412.58	10.01	-31.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020278875	0	45	-1.0	-41.77	357.53	7.29	-34.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020278875	1	45	-1.0	-41.76	357.59	7.30	-34.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020278876	0	42	-1.0	-45.29	352.22	6.85	-38.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020278876	1	42	-1.0	-45.34	352.23	6.84	-38.50
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020278877	0	49	-1.0	-42.87	400.66	9.56	-33.31
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020278877	1	49	-1.0	-42.83	400.69	9.55	-33.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020278878	0	46	-1.0	-40.18	358.44	7.64	-32.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020278878	1	46	-1.0	-40.17	358.50	7.66	-32.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020278879	0	43	-1.0	-43.99	331.51	6.96	-37.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020278879	1	43	-1.0	-44.03	331.45	6.94	-37.09
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCC1	REAL300020278880	0	50	-1.0	-41.45	389.97	9.66	-31.79
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCC1	REAL300020278880	1	50	-1.0	-41.47	390.01	9.65	-31.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020278881	0	49	-1.0	-41.98	388.83	9.32	-32.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020278881	1	49	-1.0	-42.02	388.88	9.34	-32.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020278882	0	46	-1.0	-43.07	367.85	9.29	-33.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020278882	1	46	-1.0	-43.07	367.79	9.28	-33.79
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020278883	0	43	-1.0	-41.95	353.95	9.17	-32.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020278883	1	43	-1.0	-41.95	353.90	9.15	-32.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020278884	0	40	-1.0	-47.40	333.80	8.50	-38.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020278884	1	40	-1.0	-47.41	333.75	8.47	-38.94
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC=C1	REAL300020278885	0	47	-1.0	-42.94	386.43	11.21	-31.73
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC=C1	REAL300020278885	1	47	-1.0	-42.90	386.44	11.21	-31.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020278886	0	44	-1.0	-40.56	345.14	5.72	-34.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020278886	1	44	-1.0	-40.57	345.20	5.74	-34.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020278887	0	41	-1.0	-41.39	331.90	4.67	-36.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020278887	1	41	-1.0	-41.38	331.85	4.65	-36.73
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOCC1	REAL300020278888	0	48	-1.0	-41.58	372.43	7.34	-34.24
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOCC1	REAL300020278888	1	48	-1.0	-41.55	372.58	7.33	-34.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020278889	0	44	-1.0	-44.04	367.25	8.81	-35.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020278889	1	44	-1.0	-44.04	367.19	8.79	-35.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020278890	0	41	-1.0	-44.05	344.69	7.94	-36.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020278890	1	41	-1.0	-44.03	344.61	7.92	-36.11
C=C(C)CN1C(NC2=CC=C(OC)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020278891	0	48	-1.0	-44.77	399.25	10.82	-33.95
C=C(C)CN1C(NC2=CC=C(OC)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020278891	1	48	-1.0	-44.79	399.20	10.83	-33.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020278892	0	44	-1.0	-40.98	345.02	7.23	-33.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020278892	1	44	-1.0	-40.99	345.08	7.24	-33.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020278893	0	41	-1.0	-43.79	333.01	6.70	-37.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020278893	1	41	-1.0	-43.82	332.95	6.67	-37.15
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCSC1	REAL300020278894	0	48	-1.0	-41.91	384.59	9.78	-32.13
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCSC1	REAL300020278894	1	48	-1.0	-41.87	384.60	9.77	-32.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020278895	0	52	-1.0	-42.57	421.88	8.37	-34.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020278895	1	52	-1.0	-42.61	421.93	8.39	-34.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020278896	0	49	-1.0	-42.90	403.28	7.49	-35.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020278896	1	49	-1.0	-42.95	403.34	7.51	-35.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](NC(=O)NCC)[C@H](OC)C1	REAL300020278897	0	53	-1.0	-53.60	424.93	3.33	-50.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](NC(=O)NCC)[C@H](OC)C1	REAL300020278897	1	53	-1.0	-53.64	424.98	3.35	-50.29
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020278898	0	55	0.0	-65.51	409.94	9.08	-56.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020278898	1	55	0.0	-65.50	409.88	9.06	-56.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020278899	0	52	0.0	-61.37	392.28	8.10	-53.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020278899	1	52	0.0	-61.37	392.23	8.08	-53.29
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020278900	0	54	-1.0	-42.90	415.85	8.10	-34.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020278900	1	54	-1.0	-42.83	415.91	8.12	-34.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020278901	0	51	-1.0	-45.69	400.55	7.51	-38.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020278901	1	51	-1.0	-45.72	400.61	7.54	-38.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020278902	0	50	-1.0	-51.83	373.83	4.73	-47.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020278902	1	50	-1.0	-51.85	373.89	4.74	-47.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020278903	0	53	-1.0	-40.69	401.83	11.10	-29.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020278903	1	53	-1.0	-40.65	401.89	11.11	-29.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020278904	0	50	-1.0	-43.47	378.76	10.83	-32.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020278904	1	50	-1.0	-43.45	378.70	10.81	-32.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020278905	0	52	-1.0	-39.23	378.67	9.11	-30.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020278905	1	52	-1.0	-39.28	378.72	9.12	-30.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020278906	0	49	-1.0	-41.82	363.75	8.54	-33.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020278906	1	49	-1.0	-41.84	363.70	8.52	-33.32
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020278907	0	56	-1.0	-41.93	407.68	11.33	-30.60
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020278907	1	56	-1.0	-41.94	407.71	11.30	-30.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020278908	0	51	-1.0	-43.69	401.54	7.79	-35.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020278908	1	51	-1.0	-43.73	401.59	7.81	-35.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020278909	0	48	-1.0	-47.58	377.06	7.58	-40.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020278909	1	48	-1.0	-47.58	377.01	7.55	-40.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020278910	0	54	-1.0	-40.60	426.27	9.67	-30.93
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020278910	1	54	-1.0	-40.64	426.35	9.68	-30.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020278911	0	51	-1.0	-44.06	410.23	9.48	-34.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020278911	1	51	-1.0	-44.08	410.17	9.45	-34.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020278912	0	48	-1.0	-41.02	355.34	5.87	-35.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020278912	1	48	-1.0	-41.05	355.39	5.88	-35.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020278913	0	45	-1.0	-42.61	333.09	5.58	-37.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020278913	1	45	-1.0	-42.64	333.04	5.57	-37.07
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020278914	0	52	-1.0	-42.44	411.74	9.00	-33.44
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020278914	1	52	-1.0	-42.45	411.78	8.99	-33.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020278915	0	59	0.0	-68.79	420.54	9.58	-59.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020278915	1	59	0.0	-66.51	435.44	10.60	-55.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020278915	1	59	0.0	-68.80	420.60	9.60	-59.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020278915	1	59	0.0	-66.49	435.50	10.62	-55.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020278916	0	56	0.0	-56.99	416.47	9.12	-47.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020278916	1	56	0.0	-70.56	412.60	10.36	-60.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020278916	1	56	0.0	-57.00	416.53	9.15	-47.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020278916	1	56	0.0	-70.60	412.66	10.37	-60.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020278917	0	54	-1.0	-39.17	418.78	8.45	-30.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020278917	1	54	-1.0	-39.23	418.83	8.46	-30.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020278918	0	51	-1.0	-42.76	368.68	7.05	-35.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020278918	1	51	-1.0	-42.77	368.74	7.07	-35.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020278919	0	51	-1.0	-41.04	393.47	8.34	-32.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020278919	1	51	-1.0	-41.08	393.53	8.35	-32.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020278920	0	48	-1.0	-43.34	394.34	8.12	-35.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020278920	1	48	-1.0	-43.32	394.28	8.09	-35.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020278921	0	55	-1.0	-41.30	437.20	8.67	-32.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020278921	1	56	0.0	-71.93	439.67	10.95	-60.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020278921	1	55	-1.0	-41.30	437.26	8.69	-32.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020278922	0	52	-1.0	-44.44	406.80	8.00	-36.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020278922	1	53	0.0	-68.05	413.27	10.01	-58.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020278922	1	52	-1.0	-44.38	406.83	8.00	-36.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020278923	0	51	-1.0	-40.00	368.15	6.77	-33.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020278923	1	51	-1.0	-40.00	368.21	6.78	-33.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020278924	0	48	-1.0	-42.84	371.64	7.23	-35.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020278924	1	48	-1.0	-42.87	371.59	7.20	-35.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020278925	0	55	0.0	-64.78	408.26	9.25	-55.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020278925	1	55	0.0	-64.81	408.14	8.89	-55.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020278925	1	55	0.0	-64.73	408.20	9.23	-55.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020278925	1	55	0.0	-64.79	408.08	8.87	-55.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020278926	0	52	0.0	-66.62	378.93	8.77	-57.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020278926	1	52	0.0	-62.99	383.27	9.13	-53.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020278926	1	52	0.0	-66.68	378.80	8.77	-57.91
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020278926	1	52	0.0	-62.98	383.23	9.11	-53.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020278927	0	58	0.0	-64.59	421.34	9.65	-54.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020278927	1	58	0.0	-61.72	418.71	9.24	-52.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020278927	1	58	0.0	-64.58	421.40	9.66	-54.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020278927	1	58	0.0	-61.72	418.76	9.26	-52.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020278928	0	55	0.0	-62.29	385.87	8.51	-53.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020278928	1	55	0.0	-58.72	398.84	8.23	-50.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020278928	1	55	0.0	-62.28	385.93	8.54	-53.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020278928	1	55	0.0	-58.75	398.89	8.26	-50.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020278929	0	57	0.0	-69.95	412.32	8.56	-61.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020278929	1	57	0.0	-68.87	400.65	6.63	-62.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020278929	1	57	0.0	-69.98	412.38	8.58	-61.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020278929	1	57	0.0	-68.89	400.72	6.64	-62.25
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)OC	REAL300020278930	0	41	-1.0	-41.70	329.85	7.90	-33.80
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)OC	REAL300020278930	1	41	-1.0	-41.69	329.85	7.88	-33.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020278931	0	59	-1.0	-41.73	444.04	10.95	-30.78
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020278931	1	59	-1.0	-41.75	444.09	10.96	-30.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020278932	0	56	-1.0	-42.32	415.42	9.20	-33.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020278932	1	56	-1.0	-42.34	415.48	9.22	-33.12
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C)C1	REAL300020278933	0	47	-1.0	-42.30	365.58	6.45	-35.85
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C)C1	REAL300020278933	1	47	-1.0	-42.33	365.63	6.46	-35.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C)C1	REAL300020278934	0	44	-1.0	-44.25	347.26	5.90	-38.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C)C1	REAL300020278934	1	44	-1.0	-44.27	347.20	5.87	-38.40
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOC(C)C1	REAL300020278935	0	51	-1.0	-40.80	406.84	8.47	-32.33
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOC(C)C1	REAL300020278935	1	51	-1.0	-40.77	406.89	8.47	-32.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1CC	REAL300020278936	0	47	-1.0	-43.26	369.11	4.75	-38.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1CC	REAL300020278936	1	47	-1.0	-43.23	369.17	4.76	-38.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1CC	REAL300020278937	0	44	-1.0	-43.81	351.64	4.19	-39.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1CC	REAL300020278937	1	44	-1.0	-43.80	351.59	4.16	-39.64
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)C1CC	REAL300020278938	0	51	-1.0	-46.82	402.94	6.75	-40.07
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)C1CC	REAL300020278938	1	51	-1.0	-46.73	402.97	6.74	-39.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020278939	0	47	-1.0	-48.78	385.39	4.80	-43.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020278939	1	47	-1.0	-48.78	385.45	4.82	-43.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020278940	0	44	-1.0	-50.23	361.04	3.94	-46.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020278940	1	44	-1.0	-50.22	360.99	3.92	-46.30
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020278941	0	51	-1.0	-50.58	408.66	6.64	-43.94
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020278941	1	51	-1.0	-50.57	408.71	6.63	-43.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020278942	0	54	-1.0	-44.29	397.63	10.75	-33.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020278942	1	54	-1.0	-44.26	397.57	10.75	-33.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(OC)C1	REAL300020278943	0	44	-1.0	-41.61	353.86	4.85	-36.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(OC)C1	REAL300020278943	1	44	-1.0	-41.60	353.92	4.87	-36.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(OC)C1	REAL300020278944	0	41	-1.0	-45.17	331.18	4.01	-41.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(OC)C1	REAL300020278944	1	41	-1.0	-45.16	331.12	3.99	-41.17
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(OC)C1	REAL300020278945	0	48	-1.0	-43.00	391.22	7.03	-35.97
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(OC)C1	REAL300020278945	1	48	-1.0	-42.98	391.24	7.02	-35.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C	REAL300020278946	0	46	-1.0	-40.43	355.20	6.95	-33.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C	REAL300020278946	1	46	-1.0	-40.39	355.26	6.97	-33.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C	REAL300020278947	0	43	-1.0	-43.56	332.22	6.15	-37.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C	REAL300020278947	1	43	-1.0	-43.54	332.16	6.12	-37.42
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020278948	0	50	-1.0	-41.87	380.54	8.93	-32.94
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020278948	1	50	-1.0	-41.83	380.57	8.92	-32.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1CC	REAL300020278949	0	49	-1.0	-42.47	358.98	6.72	-35.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1CC	REAL300020278949	1	49	-1.0	-42.45	359.04	6.74	-35.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1CC	REAL300020278950	0	46	-1.0	-47.14	329.89	6.01	-41.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1CC	REAL300020278950	1	46	-1.0	-47.14	329.84	5.99	-41.15
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC1CC	REAL300020278951	0	53	-1.0	-42.37	418.49	9.91	-32.46
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC1CC	REAL300020278951	1	53	-1.0	-42.32	418.55	9.89	-32.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020278952	0	44	-1.0	-40.87	337.84	4.90	-35.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020278952	1	44	-1.0	-40.87	337.90	4.91	-35.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020278953	0	41	-1.0	-45.31	313.05	4.32	-40.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020278953	1	41	-1.0	-45.38	313.07	4.29	-41.09
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020278954	0	48	-1.0	-42.18	378.91	8.28	-33.90
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020278954	1	48	-1.0	-42.14	378.99	8.28	-33.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC(C)C	REAL300020278955	0	55	-1.0	-41.63	396.28	9.89	-31.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC(C)C	REAL300020278955	1	55	-1.0	-41.63	396.33	9.91	-31.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC(C)C	REAL300020278956	0	52	-1.0	-45.71	374.68	9.02	-36.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC(C)C	REAL300020278956	1	52	-1.0	-45.71	374.60	8.99	-36.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)CCC	REAL300020278957	0	55	-1.0	-40.29	403.67	8.69	-31.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)CCC	REAL300020278957	1	55	-1.0	-40.32	403.72	8.70	-31.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)CCC	REAL300020278958	0	52	-1.0	-41.95	384.42	7.55	-34.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)CCC	REAL300020278958	1	52	-1.0	-41.94	384.35	7.52	-34.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020278959	0	44	-1.0	-46.47	360.40	8.70	-37.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020278959	1	44	-1.0	-46.45	360.34	8.69	-37.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020278960	0	41	-1.0	-49.39	345.26	8.06	-41.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020278960	1	41	-1.0	-49.40	345.21	8.04	-41.36
C=C(C)CN1C(NC2=CC=CC(OC)=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020278961	0	48	-1.0	-47.84	399.23	10.83	-37.01
C=C(C)CN1C(NC2=CC=CC(OC)=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020278961	1	48	-1.0	-47.82	399.19	10.83	-36.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C)C=C1	REAL300020278962	0	40	-1.0	-43.84	338.04	8.42	-35.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C)C=C1	REAL300020278962	1	40	-1.0	-43.82	337.98	8.41	-35.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C)C=C1	REAL300020278963	0	37	-1.0	-46.10	318.22	7.63	-38.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C)C=C1	REAL300020278963	1	37	-1.0	-46.11	318.17	7.61	-38.50
C=C(C)CN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020278964	0	44	-1.0	-45.74	370.12	10.29	-35.45
C=C(C)CN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020278964	1	44	-1.0	-45.77	370.08	10.31	-35.46
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020278965	0	40	-1.0	-47.26	338.12	7.44	-39.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020278965	1	40	-1.0	-47.27	338.06	7.43	-39.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020278966	0	37	-1.0	-50.10	316.37	6.63	-43.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020278966	1	37	-1.0	-50.13	316.31	6.60	-43.53
C=C(C)CN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020278967	0	44	-1.0	-49.09	372.78	9.41	-39.68
C=C(C)CN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020278967	1	44	-1.0	-49.15	372.73	9.42	-39.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020278968	0	49	-1.0	-41.61	372.39	7.77	-33.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020278968	1	49	-1.0	-41.53	372.44	7.79	-33.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020278969	0	46	-1.0	-43.23	351.00	6.47	-36.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020278969	1	46	-1.0	-43.20	350.94	6.44	-36.76
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C(C)C	REAL300020278970	0	53	-1.0	-41.50	393.92	8.85	-32.65
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C(C)C	REAL300020278970	1	53	-1.0	-41.46	393.98	8.83	-32.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020278971	0	50	-1.0	-47.95	402.11	9.61	-38.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020278971	1	50	-1.0	-47.99	402.05	9.59	-38.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020278972	0	57	-1.0	-41.02	443.43	9.21	-31.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020278972	1	57	-1.0	-41.02	443.48	9.24	-31.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020278973	0	55	-1.0	-48.74	423.89	9.39	-39.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020278973	1	55	-1.0	-48.82	423.94	9.41	-39.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020278974	0	49	-1.0	-45.42	375.60	2.56	-42.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020278974	1	49	-1.0	-45.42	375.66	2.57	-42.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020278977	0	49	-1.0	-43.08	388.54	5.27	-37.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020278977	1	49	-1.0	-43.09	388.49	5.25	-37.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020278978	0	55	-1.0	-43.49	433.91	8.93	-34.56
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020278978	1	55	-1.0	-43.49	433.85	8.92	-34.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020278981	0	46	-1.0	-47.34	376.15	9.86	-37.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020278981	1	46	-1.0	-47.34	376.10	9.83	-37.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020278983	0	47	-1.0	-42.49	365.37	8.10	-34.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020278983	1	47	-1.0	-42.48	365.31	8.08	-34.40
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020278984	0	54	-1.0	-41.48	414.35	10.76	-30.72
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020278984	1	54	-1.0	-41.46	413.84	10.74	-30.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(OC)C1	REAL300020278985	0	47	-1.0	-44.12	367.61	5.99	-38.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(OC)C1	REAL300020278985	1	47	-1.0	-44.18	367.67	6.00	-38.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(OC)C1	REAL300020278986	0	44	-1.0	-44.54	351.80	5.33	-39.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(OC)C1	REAL300020278986	1	44	-1.0	-44.53	351.75	5.31	-39.22
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(OC)C1	REAL300020278987	0	51	-1.0	-44.97	392.51	8.49	-36.48
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(OC)C1	REAL300020278987	1	51	-1.0	-45.00	392.55	8.48	-36.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020278991	0	41	-1.0	-45.46	331.06	8.37	-37.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020278991	1	41	-1.0	-45.44	331.01	8.36	-37.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020278996	0	47	-1.0	-41.27	390.24	9.69	-31.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020278996	1	47	-1.0	-41.28	390.30	9.71	-31.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020278998	0	55	-1.0	-40.36	430.30	6.74	-33.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020278998	1	55	-1.0	-40.30	430.35	6.75	-33.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020278999	0	52	-1.0	-44.36	403.48	6.46	-37.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020278999	1	52	-1.0	-44.44	403.53	6.49	-37.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020279000	0	48	-1.0	-41.48	372.03	6.25	-35.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020279000	1	48	-1.0	-41.51	372.08	6.27	-35.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020279006	0	47	-1.0	-43.89	369.57	3.33	-40.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020279006	1	47	-1.0	-43.88	369.51	3.31	-40.57
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CO)C1C	REAL300020279007	0	54	-1.0	-42.32	411.30	7.08	-35.24
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CO)C1C	REAL300020279007	1	54	-1.0	-42.22	411.34	7.07	-35.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020279008	0	49	-1.0	-46.37	401.91	8.99	-37.38
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020279008	1	49	-1.0	-46.36	401.96	9.00	-37.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020279010	0	61	-1.0	-39.81	438.24	10.07	-29.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020279010	1	61	-1.0	-39.83	438.29	10.08	-29.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020279011	0	58	-1.0	-43.22	414.25	9.19	-34.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020279011	1	58	-1.0	-43.20	414.31	9.21	-33.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020279016	0	51	-1.0	-43.36	379.05	8.87	-34.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020279016	1	51	-1.0	-43.41	379.10	8.89	-34.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020279017	0	48	-1.0	-44.01	362.53	8.19	-35.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020279017	1	48	-1.0	-43.99	362.59	8.21	-35.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020279018	0	54	-1.0	-47.29	423.80	9.85	-37.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020279018	1	54	-1.0	-47.31	423.83	9.87	-37.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020279019	0	51	-1.0	-44.05	413.01	8.92	-35.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020279019	1	51	-1.0	-44.03	413.06	8.94	-35.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020279020	0	48	-1.0	-44.72	393.43	7.96	-36.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020279020	1	48	-1.0	-44.77	393.49	7.99	-36.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020279021	0	54	-1.0	-45.47	412.49	11.08	-34.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020279021	1	54	-1.0	-45.41	412.44	11.05	-34.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC1	REAL300020279022	0	46	-1.0	-40.36	364.72	7.94	-32.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC1	REAL300020279022	1	46	-1.0	-40.39	364.77	7.95	-32.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC1	REAL300020279023	0	43	-1.0	-43.83	333.68	7.70	-36.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC1	REAL300020279023	1	43	-1.0	-43.81	333.61	7.67	-36.14
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020279024	0	50	-1.0	-41.49	400.25	9.22	-32.27
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020279024	1	50	-1.0	-41.41	399.91	9.20	-32.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020279025	0	44	-1.0	-40.88	338.87	4.87	-36.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020279025	1	44	-1.0	-40.94	338.95	4.88	-36.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020279026	0	41	-1.0	-44.13	321.75	4.22	-39.91
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020279026	1	41	-1.0	-44.11	321.69	4.19	-39.92
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020279027	0	48	-1.0	-43.76	368.88	6.84	-36.92
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020279027	1	48	-1.0	-43.69	368.87	6.83	-36.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020279028	0	56	-1.0	-47.56	427.17	5.43	-42.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020279028	1	56	-1.0	-47.59	427.23	5.45	-42.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020279028	1	57	0.0	-63.80	437.73	7.06	-56.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020279029	0	56	0.0	-64.86	432.42	10.74	-54.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020279029	1	56	0.0	-68.08	412.83	9.62	-58.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020279029	1	55	-1.0	-43.28	411.49	7.43	-35.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020279029	1	55	-1.0	-43.31	411.55	7.46	-35.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020279030	0	53	-1.0	-42.54	417.68	11.22	-31.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020279030	1	53	-1.0	-42.54	417.74	11.24	-31.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020279031	0	50	-1.0	-46.78	393.60	8.74	-38.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020279031	1	50	-1.0	-46.79	393.54	8.72	-38.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(CC(F)(F)F)CC1	REAL300020279032	0	51	-1.0	-42.73	397.73	6.83	-35.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(CC(F)(F)F)CC1	REAL300020279032	1	51	-1.0	-42.76	397.78	6.84	-35.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020279033	0	57	-1.0	-47.52	426.31	8.79	-38.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020279033	1	57	-1.0	-47.50	426.37	8.81	-38.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020279034	0	54	-1.0	-59.13	413.82	7.79	-51.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020279034	1	54	-1.0	-59.12	413.87	7.82	-51.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020279035	0	50	-1.0	-42.41	368.73	8.07	-34.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020279035	1	50	-1.0	-42.39	368.79	8.09	-34.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020279036	0	47	-1.0	-45.99	353.74	7.51	-38.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020279036	1	47	-1.0	-45.94	353.68	7.49	-38.45
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020279037	0	54	-1.0	-43.47	399.06	10.04	-33.43
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020279037	1	54	-1.0	-43.46	399.09	10.03	-33.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020279038	0	52	-1.0	-40.20	411.60	10.17	-30.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020279038	1	52	-1.0	-40.20	411.67	10.18	-30.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020279039	0	49	-1.0	-43.56	390.39	10.09	-33.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020279039	1	49	-1.0	-43.54	390.34	10.08	-33.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020279040	0	52	-1.0	-47.11	415.23	4.76	-42.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020279040	1	52	-1.0	-47.11	415.29	4.77	-42.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020279041	0	49	-1.0	-49.01	390.64	4.51	-44.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020279041	1	49	-1.0	-49.02	390.69	4.53	-44.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC(OCC)=C1	REAL300020279042	0	54	-1.0	-45.04	425.43	5.97	-39.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC(OCC)=C1	REAL300020279042	1	54	-1.0	-45.03	425.38	5.94	-39.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020279043	0	48	-1.0	-41.30	388.13	8.04	-33.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020279043	1	48	-1.0	-41.31	388.18	8.06	-33.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020279044	0	45	-1.0	-44.42	377.07	7.25	-37.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020279044	1	45	-1.0	-44.40	377.02	7.23	-37.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020279045	0	55	-1.0	-40.38	412.27	9.35	-31.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020279045	1	55	-1.0	-40.35	412.33	9.36	-30.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020279046	0	52	-1.0	-44.20	385.62	8.97	-35.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020279046	1	52	-1.0	-44.20	385.67	8.97	-35.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020279047	0	47	-1.0	-42.67	400.81	8.17	-34.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020279047	1	47	-1.0	-42.64	400.75	8.15	-34.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020279048	0	52	-1.0	-43.74	393.60	7.79	-35.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020279048	1	52	-1.0	-43.74	393.67	7.80	-35.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020279049	0	49	-1.0	-49.16	392.69	8.13	-41.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020279049	1	49	-1.0	-49.12	392.63	8.11	-41.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCOC	REAL300020279050	0	49	-1.0	-42.34	394.51	6.72	-35.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCOC	REAL300020279050	1	49	-1.0	-42.33	394.57	6.73	-35.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCOC	REAL300020279051	0	46	-1.0	-43.28	379.78	5.89	-37.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCOC	REAL300020279051	1	46	-1.0	-43.31	379.72	5.87	-37.44
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCCOC	REAL300020279052	0	53	-1.0	-43.98	422.30	8.75	-35.23
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCCOC	REAL300020279052	1	53	-1.0	-43.92	422.34	8.75	-35.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020279053	0	54	-1.0	-39.57	425.46	8.88	-30.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020279053	1	54	-1.0	-39.58	425.52	8.90	-30.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020279054	0	51	-1.0	-44.64	385.88	7.62	-37.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020279054	1	51	-1.0	-44.69	385.93	7.65	-37.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020279055	0	47	-1.0	-41.95	383.98	6.27	-35.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020279055	1	47	-1.0	-41.93	384.03	6.30	-35.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020279056	0	58	-1.0	-41.32	390.93	11.34	-29.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020279056	1	58	-1.0	-41.31	390.98	11.36	-29.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020279057	0	55	-1.0	-41.57	368.36	10.28	-31.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020279057	1	55	-1.0	-41.52	368.42	10.31	-31.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020279058	0	49	-1.0	-40.75	377.11	8.22	-32.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020279058	1	49	-1.0	-40.76	377.17	8.24	-32.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020279059	0	46	-1.0	-47.72	338.15	6.87	-40.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020279059	1	46	-1.0	-47.73	338.11	6.87	-40.86
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1C	REAL300020279060	0	53	-1.0	-43.21	389.15	9.11	-34.10
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1C	REAL300020279060	1	53	-1.0	-43.19	389.16	9.10	-34.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020279061	0	49	-1.0	-39.87	399.75	9.28	-30.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020279061	1	49	-1.0	-39.82	399.83	9.30	-30.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020279062	0	46	-1.0	-41.79	380.17	8.06	-33.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020279062	1	46	-1.0	-41.76	380.23	8.08	-33.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020279063	0	53	-1.0	-39.74	413.78	8.41	-31.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020279063	1	53	-1.0	-39.73	413.83	8.42	-31.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020279064	0	50	-1.0	-44.00	377.70	6.92	-37.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020279064	1	50	-1.0	-44.00	377.64	6.90	-37.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020279065	0	53	-1.0	-40.55	442.18	7.60	-32.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020279065	1	53	-1.0	-40.54	442.24	7.62	-32.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020279066	0	50	-1.0	-43.39	421.81	6.86	-36.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020279066	1	50	-1.0	-43.35	421.87	6.88	-36.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020279067	0	50	-1.0	-42.43	395.05	9.16	-33.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020279067	1	50	-1.0	-42.45	395.11	9.18	-33.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020279068	0	47	-1.0	-43.61	375.59	9.07	-34.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020279068	1	47	-1.0	-43.56	375.51	9.06	-34.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020279069	0	47	-1.0	-47.47	380.58	5.05	-42.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020279069	1	47	-1.0	-47.45	380.63	5.07	-42.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020279070	0	44	-1.0	-50.55	357.49	4.21	-46.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020279070	1	44	-1.0	-50.55	357.43	4.18	-46.37
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020279071	0	51	-1.0	-48.99	407.11	6.97	-42.02
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020279071	1	51	-1.0	-49.01	407.14	6.96	-42.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020279072	0	53	-1.0	-40.44	406.46	9.61	-30.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020279072	1	53	-1.0	-40.43	406.52	9.62	-30.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020279073	0	50	-1.0	-43.92	378.34	9.55	-34.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020279073	1	50	-1.0	-43.97	378.24	9.54	-34.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020279074	0	47	-1.0	-44.45	366.12	11.40	-33.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020279074	1	47	-1.0	-44.47	366.06	11.38	-33.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020279075	0	44	-1.0	-43.18	361.27	10.58	-32.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020279075	1	44	-1.0	-43.19	361.22	10.57	-32.62
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020279076	0	51	-1.0	-43.38	422.56	13.68	-29.70
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020279076	1	51	-1.0	-43.33	422.66	13.67	-29.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOC1=CC=CC=C1C	REAL300020279077	0	56	-1.0	-41.30	448.53	10.17	-31.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOC1=CC=CC=C1C	REAL300020279077	1	56	-1.0	-41.30	448.58	10.19	-31.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOC1=CC=CC=C1C	REAL300020279078	0	53	-1.0	-43.86	424.57	9.14	-34.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOC1=CC=CC=C1C	REAL300020279078	1	53	-1.0	-43.85	424.64	9.17	-34.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020279079	0	59	0.0	-64.61	437.94	8.19	-56.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020279079	1	58	-1.0	-40.38	439.56	5.82	-34.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020279079	1	58	-1.0	-40.34	439.62	5.84	-34.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020279080	0	56	0.0	-60.72	422.44	6.94	-53.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020279080	1	55	-1.0	-44.37	409.32	5.34	-39.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020279080	1	55	-1.0	-44.42	409.37	5.37	-39.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020279081	0	49	-1.0	-46.71	399.65	7.25	-39.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020279081	1	49	-1.0	-46.73	399.59	7.23	-39.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020279082	0	46	-1.0	-46.83	379.27	6.17	-40.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020279082	1	46	-1.0	-46.83	379.22	6.14	-40.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020279083	0	49	-1.0	-41.13	359.68	6.72	-34.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020279083	1	49	-1.0	-41.12	359.73	6.73	-34.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020279084	0	46	-1.0	-42.42	363.64	7.57	-34.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020279084	1	46	-1.0	-42.39	363.58	7.54	-34.85
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020279085	0	53	-1.0	-41.41	416.20	10.30	-31.11
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020279085	1	53	-1.0	-41.38	418.06	10.23	-31.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020279086	0	50	-1.0	-45.08	409.26	9.66	-35.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020279086	1	50	-1.0	-45.07	409.32	9.68	-35.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020279087	0	47	-1.0	-46.91	385.13	9.42	-37.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020279087	1	47	-1.0	-46.87	385.07	9.41	-37.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020279088	0	56	-1.0	-41.59	442.14	11.63	-29.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020279088	1	56	-1.0	-41.59	442.20	11.65	-29.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020279089	0	53	-1.0	-44.68	414.37	11.02	-33.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020279089	1	53	-1.0	-44.65	414.32	11.01	-33.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020279090	0	49	-1.0	-41.15	393.34	7.50	-33.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020279090	1	49	-1.0	-41.19	393.40	7.52	-33.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020279091	0	46	-1.0	-42.66	371.86	6.90	-35.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020279091	1	46	-1.0	-42.64	371.91	6.93	-35.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020279092	0	48	-1.0	-42.02	379.08	6.76	-35.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020279092	1	48	-1.0	-42.00	379.14	6.78	-35.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020279093	0	45	-1.0	-45.38	354.78	5.93	-39.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020279093	1	45	-1.0	-45.39	354.72	5.91	-39.48
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020279094	0	52	-1.0	-43.50	410.24	8.83	-34.67
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020279094	1	52	-1.0	-43.51	410.27	8.81	-34.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020279095	0	54	-1.0	-41.39	429.93	8.21	-33.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020279095	1	54	-1.0	-41.42	429.99	8.23	-33.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020279096	0	51	-1.0	-44.58	400.83	7.95	-36.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020279096	1	51	-1.0	-44.58	400.77	7.93	-36.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020279097	0	53	-1.0	-42.60	414.35	7.72	-34.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020279097	1	53	-1.0	-42.63	414.41	7.74	-34.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020279098	0	50	-1.0	-42.12	395.43	7.40	-34.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020279098	1	50	-1.0	-42.11	395.37	7.37	-34.74
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020279099	0	57	-1.0	-41.05	430.74	8.66	-32.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020279099	1	57	-1.0	-41.06	430.79	8.67	-32.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020279100	0	54	-1.0	-44.43	411.38	7.94	-36.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020279100	1	54	-1.0	-44.43	411.44	7.97	-36.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020279101	0	59	-1.0	-41.70	424.67	10.18	-31.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020279101	1	59	-1.0	-41.67	424.72	10.20	-31.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020279102	0	56	-1.0	-42.29	410.17	9.57	-32.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020279102	1	56	-1.0	-42.31	410.23	9.60	-32.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020279103	0	54	-1.0	-41.19	409.85	8.29	-32.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020279103	1	54	-1.0	-41.16	409.91	8.32	-32.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020279104	0	51	-1.0	-44.36	382.87	7.43	-36.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020279104	1	51	-1.0	-44.35	382.90	7.45	-36.90
C#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020279105	0	45	-1.0	-40.41	367.55	8.52	-31.89
C#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020279105	1	45	-1.0	-40.45	367.61	8.54	-31.91
C#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020279106	0	42	-1.0	-41.87	353.25	7.66	-34.21
C#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020279106	1	42	-1.0	-41.87	353.19	7.64	-34.23
C#CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(=C)C)CC1	REAL300020279107	0	49	-1.0	-41.40	399.45	10.33	-31.07
C#CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(=C)C)CC1	REAL300020279107	1	49	-1.0	-41.37	399.50	10.32	-31.05
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020279108	0	48	-1.0	-41.57	382.40	9.13	-32.44
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020279108	1	48	-1.0	-41.57	382.46	9.14	-32.43
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020279109	0	45	-1.0	-44.86	360.74	8.87	-35.99
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020279109	1	45	-1.0	-44.87	360.67	8.85	-36.02
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(=C)C)C1	REAL300020279110	0	52	-1.0	-41.48	420.07	11.05	-30.43
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(=C)C)C1	REAL300020279110	1	52	-1.0	-41.55	420.13	11.04	-30.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020279111	0	55	-1.0	-41.17	442.85	10.27	-30.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020279111	1	55	-1.0	-41.25	442.90	10.29	-30.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020279112	0	52	-1.0	-44.92	416.55	8.13	-36.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020279112	1	52	-1.0	-44.93	416.51	8.11	-36.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020279113	0	50	-1.0	-40.59	401.37	7.47	-33.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020279113	1	50	-1.0	-40.58	401.42	7.48	-33.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020279114	0	47	-1.0	-42.34	377.06	6.61	-35.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020279114	1	47	-1.0	-42.36	377.00	6.59	-35.77
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020279115	0	54	-1.0	-42.43	424.40	9.27	-33.16
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020279115	1	54	-1.0	-42.40	424.43	9.26	-33.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020279116	0	50	-1.0	-42.89	414.34	8.49	-34.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020279116	1	50	-1.0	-42.92	414.28	8.47	-34.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020279117	0	47	-1.0	-45.26	392.04	7.67	-37.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020279117	1	47	-1.0	-45.27	391.99	7.64	-37.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020279118	0	48	-1.0	-50.77	391.75	2.58	-48.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020279118	1	48	-1.0	-50.78	391.81	2.61	-48.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020279119	0	51	-1.0	-41.51	380.44	7.90	-33.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020279119	1	51	-1.0	-41.52	380.49	7.91	-33.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020279120	0	48	-1.0	-46.01	382.39	8.93	-37.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020279120	1	48	-1.0	-45.97	382.34	8.92	-37.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020279121	0	59	0.0	-61.86	438.04	8.06	-53.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020279121	1	59	0.0	-64.18	435.19	7.52	-56.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020279121	1	58	-1.0	-40.30	438.87	5.90	-34.40
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020279121	1	58	-1.0	-40.35	438.93	5.92	-34.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1	REAL300020279122	0	56	0.0	-62.39	411.03	7.71	-54.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	REAL300020279122	1	56	0.0	-61.86	413.77	6.71	-55.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020279122	1	55	-1.0	-43.16	407.68	6.06	-37.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CCOC)[C@@H](C)C1	REAL300020279122	1	55	-1.0	-43.14	407.73	6.07	-37.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNC(C)=O	REAL300020279123	0	46	-1.0	-44.18	378.63	4.44	-39.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNC(C)=O	REAL300020279123	1	46	-1.0	-44.21	378.69	4.45	-39.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNC(C)=O	REAL300020279124	0	43	-1.0	-45.52	361.70	3.54	-41.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNC(C)=O	REAL300020279124	1	43	-1.0	-45.53	361.65	3.51	-42.02
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCNC(C)=O	REAL300020279125	0	50	-1.0	-45.94	404.46	6.37	-39.57
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCNC(C)=O	REAL300020279125	1	50	-1.0	-45.89	404.53	6.36	-39.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020279126	0	49	-1.0	-44.25	377.24	6.75	-37.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020279126	1	49	-1.0	-44.24	377.30	6.77	-37.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020279127	0	46	-1.0	-45.42	374.33	7.05	-38.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020279127	1	46	-1.0	-45.39	374.27	7.02	-38.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020279128	0	44	-1.0	-40.02	373.72	8.65	-31.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020279128	1	44	-1.0	-40.04	373.77	8.66	-31.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020279130	0	48	-1.0	-41.74	390.53	7.88	-33.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020279130	1	48	-1.0	-41.75	390.59	7.89	-33.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020279131	0	45	-1.0	-43.60	370.66	7.14	-36.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020279131	1	45	-1.0	-43.60	370.60	7.11	-36.49
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020279135	0	45	-1.0	-43.01	362.88	8.42	-34.59
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020279135	1	45	-1.0	-43.02	362.95	8.43	-34.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=C(C)C=N2)CC1	REAL300020279138	0	52	-1.0	-45.89	427.57	5.30	-40.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=C(C)C=N2)CC1	REAL300020279138	1	52	-1.0	-45.90	427.51	5.28	-40.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020279148	0	51	-1.0	-46.31	414.35	9.21	-37.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020279148	1	51	-1.0	-46.28	414.29	9.20	-37.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020279149	0	48	-1.0	-48.06	388.29	8.60	-39.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020279149	1	48	-1.0	-48.05	388.24	8.57	-39.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020279150	0	56	-1.0	-40.70	421.59	9.40	-31.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020279150	1	56	-1.0	-40.74	421.64	9.41	-31.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020279151	0	53	-1.0	-44.05	406.90	9.62	-34.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020279151	1	53	-1.0	-44.03	406.95	9.65	-34.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020279152	0	51	-1.0	-44.69	397.77	4.07	-40.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020279152	1	51	-1.0	-44.65	397.83	4.08	-40.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020279153	0	48	-1.0	-47.45	368.45	3.73	-43.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020279153	1	48	-1.0	-47.49	368.51	3.74	-43.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020279154	0	57	-1.0	-40.19	432.75	9.45	-30.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020279154	1	57	-1.0	-40.20	432.80	9.47	-30.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020279155	0	54	-1.0	-42.61	403.94	9.19	-33.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020279155	1	54	-1.0	-42.61	403.79	9.23	-33.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020279156	0	55	0.0	-65.37	422.92	9.14	-56.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020279156	1	55	0.0	-65.44	422.98	9.16	-56.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020279157	0	52	0.0	-62.86	380.80	8.14	-54.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020279157	1	52	0.0	-62.83	380.86	8.16	-54.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020279158	0	53	-1.0	-41.26	389.32	8.30	-32.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020279158	1	53	-1.0	-41.29	389.38	8.31	-32.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020279159	0	50	-1.0	-41.30	389.54	9.86	-31.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020279159	1	50	-1.0	-41.31	389.48	9.84	-31.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCOC)CC1	REAL300020279160	0	56	-1.0	-47.34	437.80	4.67	-42.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCOC)CC1	REAL300020279160	1	56	-1.0	-47.39	437.86	4.68	-42.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCOC)CC1	REAL300020279160	1	57	0.0	-66.43	442.98	6.56	-59.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020279161	0	44	-1.0	-42.30	348.62	7.10	-35.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020279161	1	44	-1.0	-42.30	348.67	7.11	-35.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020279162	0	41	-1.0	-44.62	346.14	7.25	-37.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020279162	1	41	-1.0	-44.62	346.08	7.23	-37.39
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020279163	0	48	-1.0	-43.37	380.22	9.01	-34.36
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020279163	1	48	-1.0	-43.44	380.04	9.02	-34.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020279164	0	45	-1.0	-43.95	387.51	8.58	-35.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020279164	1	45	-1.0	-43.95	387.57	8.60	-35.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020279165	0	42	-1.0	-49.92	355.47	9.09	-40.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020279165	1	42	-1.0	-49.91	355.40	9.07	-40.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020279166	0	55	-1.0	-41.30	437.20	8.67	-32.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020279166	1	56	0.0	-71.93	439.67	10.95	-60.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020279166	1	55	-1.0	-41.30	437.26	8.69	-32.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020279167	0	52	-1.0	-44.44	406.80	8.00	-36.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020279167	1	53	0.0	-68.05	413.27	10.01	-58.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020279167	1	52	-1.0	-44.38	406.83	8.00	-36.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020279168	0	41	-1.0	-42.54	343.80	7.36	-35.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020279168	1	41	-1.0	-42.58	343.85	7.37	-35.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020279169	0	38	-1.0	-44.95	316.65	7.19	-37.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020279169	1	38	-1.0	-44.98	316.60	7.17	-37.81
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020279170	0	45	-1.0	-44.15	377.43	9.45	-34.70
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020279170	1	45	-1.0	-44.12	377.46	9.44	-34.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020279171	0	43	-1.0	-40.10	353.09	7.83	-32.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020279171	1	43	-1.0	-40.12	353.15	7.84	-32.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020279172	0	40	-1.0	-41.42	330.17	7.17	-34.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020279172	1	40	-1.0	-41.44	330.12	7.15	-34.29
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020279173	0	47	-1.0	-40.79	388.35	9.69	-31.10
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020279173	1	47	-1.0	-40.79	388.42	9.68	-31.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020279174	0	47	-1.0	-41.94	382.37	8.47	-33.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020279174	1	47	-1.0	-41.92	382.43	8.49	-33.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020279175	0	44	-1.0	-45.88	360.70	8.40	-37.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020279175	1	44	-1.0	-45.87	360.75	8.42	-37.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(CC)N=C1)C(C)C	REAL300020279176	0	55	-1.0	-43.33	425.53	8.76	-34.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(CC)N=C1)C(C)C	REAL300020279176	1	55	-1.0	-43.37	425.49	8.74	-34.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(CC)N=C1)C(C)C	REAL300020279177	0	52	-1.0	-45.98	397.63	8.90	-37.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(CC)N=C1)C(C)C	REAL300020279177	1	52	-1.0	-46.02	397.52	8.90	-37.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)(C(F)(F)F)C1	REAL300020279178	0	47	-1.0	-45.81	391.56	4.89	-40.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)(C(F)(F)F)C1	REAL300020279178	1	47	-1.0	-45.83	391.62	4.91	-40.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020279179	0	50	-1.0	-44.01	408.50	6.89	-37.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020279179	1	50	-1.0	-44.01	408.55	6.91	-37.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020279180	0	47	-1.0	-45.98	383.14	7.03	-38.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020279180	1	47	-1.0	-45.95	383.21	7.05	-38.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020279181	0	51	-1.0	-40.01	394.60	7.91	-32.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020279181	1	51	-1.0	-40.00	394.66	7.92	-32.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020279182	0	48	-1.0	-42.54	376.58	7.68	-34.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020279182	1	48	-1.0	-42.51	376.53	7.66	-34.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300020279183	0	50	-1.0	-40.92	399.84	10.31	-30.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300020279183	1	50	-1.0	-40.90	399.79	10.29	-30.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC)CC1	REAL300020279184	0	50	-1.0	-39.76	397.44	7.48	-32.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC)CC1	REAL300020279184	1	50	-1.0	-39.78	397.50	7.49	-32.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC)CC1	REAL300020279185	0	47	-1.0	-41.25	381.15	6.55	-34.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC)CC1	REAL300020279185	1	47	-1.0	-41.23	381.10	6.53	-34.70
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC)CC1	REAL300020279186	0	54	-1.0	-41.81	420.59	9.35	-32.46
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC)CC1	REAL300020279186	1	54	-1.0	-41.77	420.64	9.34	-32.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020279187	0	53	-1.0	-46.44	415.55	8.59	-37.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020279187	1	53	-1.0	-46.47	415.62	8.61	-37.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=C(OC)C=C1	REAL300020279188	0	55	-1.0	-48.65	433.87	8.92	-39.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=C(OC)C=C1	REAL300020279188	1	55	-1.0	-48.66	433.90	8.93	-39.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCCOC1	REAL300020279189	0	50	-1.0	-44.71	379.42	5.61	-39.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCCOC1	REAL300020279189	1	50	-1.0	-44.69	379.48	5.62	-39.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCCOC1	REAL300020279190	0	47	-1.0	-45.17	361.41	5.11	-40.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCCOC1	REAL300020279190	1	47	-1.0	-45.15	361.36	5.09	-40.06
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CCCOC1	REAL300020279191	0	54	-1.0	-43.70	411.22	8.89	-34.81
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CCCOC1	REAL300020279191	1	54	-1.0	-43.64	411.25	8.88	-34.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020279192	0	52	-1.0	-46.45	416.79	10.18	-36.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020279192	1	52	-1.0	-46.42	416.74	10.16	-36.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020279193	0	54	-1.0	-39.69	397.12	7.47	-32.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020279193	1	54	-1.0	-39.63	397.17	7.48	-32.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020279194	0	51	-1.0	-44.29	386.91	8.03	-36.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020279194	1	51	-1.0	-44.33	386.98	8.05	-36.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020279195	0	53	-1.0	-42.16	419.02	8.24	-33.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020279195	1	53	-1.0	-42.17	419.07	8.25	-33.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020279196	0	50	-1.0	-46.02	382.33	7.09	-38.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020279196	1	50	-1.0	-46.04	382.27	7.07	-38.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020279197	0	53	-1.0	-40.94	402.89	9.81	-31.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020279197	1	53	-1.0	-40.99	402.94	9.83	-31.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020279198	0	50	-1.0	-41.72	382.73	9.77	-31.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020279198	1	50	-1.0	-41.70	382.67	9.75	-31.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020279199	0	49	-1.0	-48.28	394.12	4.79	-43.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020279199	1	49	-1.0	-48.31	394.18	4.80	-43.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020279200	0	46	-1.0	-49.30	372.57	4.03	-45.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020279200	1	46	-1.0	-49.31	372.51	4.00	-45.31
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020279201	0	53	-1.0	-48.91	422.78	9.65	-39.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020279201	1	53	-1.0	-48.88	422.84	9.67	-39.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020279202	0	50	-1.0	-44.81	403.85	9.93	-34.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020279202	1	50	-1.0	-44.80	403.80	9.92	-34.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020279203	0	44	-1.0	-44.74	366.76	8.67	-36.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020279203	1	44	-1.0	-44.71	366.82	8.68	-36.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCSC	REAL300020279204	0	46	-1.0	-42.21	379.54	7.28	-34.93
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCSC	REAL300020279204	1	46	-1.0	-42.19	379.60	7.29	-34.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCSC	REAL300020279205	0	43	-1.0	-46.09	353.97	6.82	-39.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCSC	REAL300020279205	1	43	-1.0	-46.06	353.93	6.81	-39.25
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCSC	REAL300020279206	0	50	-1.0	-43.62	411.92	9.25	-34.37
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCSC	REAL300020279206	1	50	-1.0	-43.66	411.97	9.23	-34.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020279207	0	52	-1.0	-45.08	405.73	6.72	-38.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020279207	1	52	-1.0	-45.09	405.79	6.73	-38.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020279208	0	49	-1.0	-50.25	384.68	6.02	-44.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020279208	1	49	-1.0	-50.23	384.62	5.99	-44.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020279209	0	53	-1.0	-41.13	421.94	10.52	-30.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020279209	1	53	-1.0	-41.11	421.99	10.53	-30.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020279210	0	50	-1.0	-46.37	393.46	10.11	-36.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020279210	1	50	-1.0	-46.36	393.40	10.10	-36.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020279211	0	47	-1.0	-39.96	386.04	8.85	-31.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020279211	1	47	-1.0	-39.99	386.06	8.87	-31.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020279212	0	44	-1.0	-43.00	362.07	8.46	-34.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020279212	1	44	-1.0	-42.98	362.13	8.47	-34.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020279213	0	44	-1.0	-43.23	360.56	5.15	-38.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020279213	1	44	-1.0	-43.24	360.62	5.16	-38.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020279214	0	41	-1.0	-43.35	333.58	4.93	-38.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020279214	1	41	-1.0	-43.37	333.54	4.91	-38.46
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020279215	0	48	-1.0	-44.12	390.86	7.43	-36.69
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020279215	1	48	-1.0	-44.06	390.90	7.42	-36.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020279216	0	53	-1.0	-40.05	428.15	10.78	-29.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020279216	1	53	-1.0	-40.02	428.21	10.79	-29.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020279217	0	50	-1.0	-43.27	407.88	10.25	-33.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020279217	1	50	-1.0	-43.29	407.94	10.27	-33.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020279218	0	59	-1.0	-39.30	438.91	11.26	-28.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020279218	1	59	-1.0	-39.35	438.97	11.27	-28.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020279219	0	56	-1.0	-42.52	411.96	11.35	-31.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020279219	1	56	-1.0	-42.53	411.99	11.36	-31.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020279220	0	52	-1.0	-51.17	417.00	11.00	-40.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020279220	1	52	-1.0	-51.23	416.94	10.98	-40.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020279221	0	49	-1.0	-54.05	400.66	10.06	-43.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020279221	1	49	-1.0	-54.07	400.60	10.04	-44.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020279222	0	50	-1.0	-54.47	403.51	5.95	-48.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020279222	1	50	-1.0	-54.43	403.57	5.97	-48.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020279223	0	47	-1.0	-46.32	382.56	6.82	-39.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020279223	1	47	-1.0	-46.31	382.51	6.79	-39.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020279224	0	51	-1.0	-40.45	420.95	10.63	-29.82
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020279224	1	51	-1.0	-40.47	421.01	10.64	-29.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020279225	0	48	-1.0	-41.51	402.26	9.90	-31.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020279225	1	48	-1.0	-41.52	402.20	9.87	-31.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020279226	0	54	-1.0	-41.16	428.43	9.34	-31.82
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020279226	1	54	-1.0	-41.16	428.49	9.36	-31.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020279227	0	51	-1.0	-45.29	400.85	9.05	-36.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020279227	1	51	-1.0	-45.31	400.80	9.04	-36.27
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020279228	0	53	-1.0	-43.75	430.29	9.17	-34.58
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020279228	1	53	-1.0	-43.78	430.34	9.19	-34.59
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020279229	0	50	-1.0	-44.20	412.86	8.57	-35.63
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020279229	1	50	-1.0	-44.20	412.80	8.54	-35.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020279230	0	49	-1.0	-47.65	391.15	6.47	-41.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020279230	1	49	-1.0	-47.68	391.21	6.48	-41.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020279231	0	46	-1.0	-47.56	369.71	5.71	-41.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020279231	1	46	-1.0	-47.58	369.66	5.68	-41.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020279232	0	44	-1.0	-40.16	346.14	7.86	-32.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020279232	1	44	-1.0	-40.19	346.20	7.88	-32.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020279233	0	41	-1.0	-43.17	329.36	7.11	-36.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020279233	1	41	-1.0	-43.14	329.30	7.08	-36.06
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020279234	0	48	-1.0	-42.02	372.57	9.79	-32.23
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020279234	1	48	-1.0	-42.05	372.60	9.79	-32.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020279235	0	51	-1.0	-40.17	397.87	7.15	-33.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020279235	1	51	-1.0	-40.16	397.93	7.17	-32.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020279236	0	48	-1.0	-42.78	375.99	6.40	-36.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020279236	1	48	-1.0	-42.75	375.93	6.37	-36.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020279237	0	53	-1.0	-41.75	415.34	4.96	-36.79
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020279237	1	53	-1.0	-41.71	415.40	4.98	-36.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020279237	1	54	0.0	-69.86	416.12	7.11	-62.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020279238	0	50	-1.0	-45.28	382.77	4.73	-40.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020279238	1	50	-1.0	-45.33	382.82	4.74	-40.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020279238	1	51	0.0	-68.28	389.94	6.48	-61.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020279239	0	56	-1.0	-40.58	422.11	10.34	-30.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020279239	1	56	-1.0	-40.60	422.17	10.35	-30.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020279240	0	53	-1.0	-42.96	400.12	9.54	-33.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020279240	1	53	-1.0	-42.98	400.17	9.57	-33.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020279241	0	50	-1.0	-48.12	402.25	3.95	-44.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020279241	1	50	-1.0	-48.17	402.29	3.96	-44.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020279242	0	50	-1.0	-39.85	406.90	10.22	-29.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020279242	1	50	-1.0	-39.87	406.95	10.24	-29.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020279243	0	47	-1.0	-43.96	377.78	9.13	-34.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020279243	1	47	-1.0	-43.96	377.73	9.11	-34.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020279244	0	56	-1.0	-39.62	445.69	11.47	-28.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020279244	1	56	-1.0	-39.63	445.75	11.48	-28.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020279245	0	53	-1.0	-44.00	416.65	10.38	-33.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020279245	1	53	-1.0	-44.01	416.59	10.35	-33.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCF)CCOC	REAL300020279246	0	46	-1.0	-41.08	363.73	4.86	-36.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCF)CCOC	REAL300020279246	1	46	-1.0	-41.09	363.79	4.87	-36.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCF)CCOC	REAL300020279247	0	43	-1.0	-41.85	351.42	5.15	-36.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCF)CCOC	REAL300020279247	1	43	-1.0	-41.90	351.36	5.13	-36.77
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCF)CCOC	REAL300020279248	0	50	-1.0	-42.61	399.53	7.36	-35.25
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCF)CCOC	REAL300020279248	1	50	-1.0	-42.58	399.59	7.33	-35.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020279249	0	51	-1.0	-48.86	401.60	8.93	-39.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020279249	1	51	-1.0	-48.86	401.56	8.93	-39.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020279250	0	51	-1.0	-43.61	397.89	5.74	-37.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020279250	1	51	-1.0	-43.61	397.95	5.76	-37.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020279251	0	48	-1.0	-45.53	378.29	5.08	-40.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020279251	1	48	-1.0	-45.55	378.23	5.06	-40.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020279252	0	48	-1.0	-42.95	383.22	5.26	-37.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020279252	1	48	-1.0	-42.97	383.27	5.27	-37.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020279253	0	45	-1.0	-42.68	363.55	4.95	-37.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020279253	1	45	-1.0	-42.66	363.49	4.93	-37.73
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1COCCO1	REAL300020279254	0	52	-1.0	-44.55	416.80	7.22	-37.33
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1COCCO1	REAL300020279254	1	52	-1.0	-44.50	416.86	7.21	-37.29
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020279255	0	48	-1.0	-39.67	386.24	6.65	-33.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020279255	1	48	-1.0	-39.66	386.29	6.66	-33.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020279256	0	45	-1.0	-42.02	366.12	6.25	-35.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020279256	1	45	-1.0	-42.04	366.06	6.23	-35.81
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CCCOC1	REAL300020279257	0	52	-1.0	-42.14	417.72	9.04	-33.10
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CCCOC1	REAL300020279257	1	52	-1.0	-42.13	417.83	9.03	-33.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C(F)=C1	REAL300020279258	0	51	-1.0	-48.76	420.56	9.35	-39.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C(F)=C1	REAL300020279258	1	51	-1.0	-48.75	420.49	9.32	-39.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020279259	0	56	-1.0	-40.00	406.87	9.84	-30.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020279259	1	56	-1.0	-39.97	406.94	9.85	-30.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020279260	0	53	-1.0	-43.03	390.32	9.18	-33.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020279260	1	53	-1.0	-43.01	390.38	9.20	-33.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020279261	0	51	-1.0	-40.59	394.30	6.56	-34.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020279261	1	51	-1.0	-40.57	394.36	6.57	-34.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020279262	0	48	-1.0	-43.26	372.70	5.78	-37.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020279262	1	48	-1.0	-43.27	372.66	5.77	-37.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020279263	0	48	-1.0	-43.30	381.95	2.05	-41.25
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020279263	1	48	-1.0	-43.31	382.01	2.06	-41.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020279264	0	45	-1.0	-46.14	357.41	1.73	-44.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020279264	1	45	-1.0	-46.17	357.32	1.70	-44.47
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(O)(CO)CC1	REAL300020279265	0	52	-1.0	-44.47	408.84	4.70	-39.77
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(O)(CO)CC1	REAL300020279265	1	52	-1.0	-44.45	408.87	4.68	-39.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020279266	0	53	-1.0	-39.44	408.99	10.24	-29.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020279266	1	53	-1.0	-39.42	409.05	10.26	-29.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020279267	0	50	-1.0	-42.78	386.70	9.27	-33.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020279267	1	50	-1.0	-42.74	386.75	9.29	-33.45
C=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020279268	0	50	-1.0	-40.66	388.38	9.10	-31.56
C=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020279268	1	50	-1.0	-40.63	388.44	9.11	-31.52
C=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020279269	0	47	-1.0	-41.66	379.00	8.37	-33.29
C=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020279269	1	47	-1.0	-41.71	378.94	8.35	-33.36
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(=C)C)C1	REAL300020279270	0	54	-1.0	-40.73	429.65	11.06	-29.67
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(=C)C)C1	REAL300020279270	1	54	-1.0	-40.73	429.67	11.04	-29.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC)C=C1	REAL300020279271	0	43	-1.0	-44.02	359.37	9.19	-34.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC)C=C1	REAL300020279271	1	43	-1.0	-44.00	359.32	9.17	-34.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC)C=C1	REAL300020279272	0	40	-1.0	-46.12	339.76	8.50	-37.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC)C=C1	REAL300020279272	1	40	-1.0	-46.10	339.70	8.47	-37.63
C=C(C)CN1C(NC2=NN(CC)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020279273	0	47	-1.0	-45.30	393.14	11.24	-34.06
C=C(C)CN1C(NC2=NN(CC)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020279273	1	47	-1.0	-45.32	393.07	11.25	-34.07
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020279274	0	48	-1.0	-41.57	382.40	9.13	-32.44
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020279274	1	48	-1.0	-41.57	382.46	9.14	-32.43
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020279275	0	45	-1.0	-44.86	360.74	8.87	-35.99
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020279275	1	45	-1.0	-44.87	360.67	8.85	-36.02
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(=C)C)C1	REAL300020279276	0	52	-1.0	-41.48	420.07	11.05	-30.43
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(=C)C)C1	REAL300020279276	1	52	-1.0	-41.55	420.13	11.04	-30.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020279277	0	61	-1.0	-39.66	439.45	10.38	-29.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020279277	1	61	-1.0	-39.68	439.51	10.40	-29.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020279278	0	58	-1.0	-43.74	414.54	10.39	-33.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020279278	1	58	-1.0	-43.80	414.62	10.40	-33.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020279279	0	58	-1.0	-42.17	405.32	9.07	-33.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020279279	1	58	-1.0	-42.13	405.38	9.08	-33.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020279280	0	55	-1.0	-43.04	384.49	10.29	-32.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020279280	1	55	-1.0	-43.05	384.43	10.28	-32.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020279281	0	56	-1.0	-43.00	405.26	9.62	-33.38
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020279281	1	56	-1.0	-43.02	405.32	9.63	-33.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020279282	0	53	-1.0	-48.01	383.35	9.01	-39.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020279282	1	53	-1.0	-47.98	383.29	8.98	-39.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020279283	0	49	-1.0	-47.89	379.33	6.04	-41.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020279283	1	49	-1.0	-47.90	379.27	6.02	-41.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020279284	0	46	-1.0	-54.54	375.55	6.23	-48.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020279284	1	46	-1.0	-54.48	375.49	6.21	-48.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020279285	0	56	-1.0	-41.59	391.23	8.43	-33.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020279285	1	56	-1.0	-41.60	391.28	8.45	-33.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020279286	0	53	-1.0	-43.66	369.94	8.12	-35.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020279286	1	53	-1.0	-43.72	369.90	8.09	-35.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020279287	0	56	-1.0	-43.38	436.54	8.25	-35.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020279287	1	56	-1.0	-43.39	436.59	8.27	-35.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020279288	0	54	-1.0	-44.64	419.20	7.46	-37.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020279288	1	54	-1.0	-44.61	419.26	7.48	-37.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020279289	0	47	-1.0	-44.18	376.53	8.32	-35.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020279289	1	47	-1.0	-44.20	376.59	8.33	-35.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020279290	0	44	-1.0	-46.58	354.30	8.05	-38.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020279290	1	44	-1.0	-46.57	354.23	8.03	-38.54
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020279291	0	51	-1.0	-44.92	419.90	10.32	-34.60
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020279291	1	51	-1.0	-44.93	419.92	10.29	-34.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020279292	0	56	-1.0	-40.70	403.09	9.61	-31.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020279292	1	56	-1.0	-40.69	403.14	9.62	-31.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020279293	0	53	-1.0	-45.66	360.52	9.67	-35.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020279293	1	53	-1.0	-45.75	360.57	9.69	-36.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C(C)CC	REAL300020279294	0	48	-1.0	-39.55	365.36	8.16	-31.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C(C)CC	REAL300020279294	1	48	-1.0	-39.54	365.42	8.17	-31.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C(C)CC	REAL300020279295	0	45	-1.0	-43.51	353.49	5.71	-37.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C(C)CC	REAL300020279295	1	45	-1.0	-43.49	353.42	5.68	-37.81
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C(C)CC	REAL300020279296	0	52	-1.0	-41.23	395.71	9.76	-31.47
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C(C)CC	REAL300020279296	1	52	-1.0	-41.28	395.77	9.75	-31.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020279297	0	54	-1.0	-40.43	397.49	9.45	-30.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020279297	1	54	-1.0	-40.41	397.55	9.47	-30.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020279298	0	51	-1.0	-43.60	373.93	8.63	-34.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020279298	1	51	-1.0	-43.60	373.99	8.65	-34.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020279299	0	49	-1.0	-45.85	387.62	5.48	-40.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020279299	1	49	-1.0	-45.82	387.68	5.50	-40.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020279300	0	46	-1.0	-47.32	346.96	4.99	-42.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020279300	1	46	-1.0	-47.27	346.87	4.97	-42.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020279301	0	50	-1.0	-41.24	405.23	9.25	-31.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020279301	1	50	-1.0	-41.21	405.28	9.26	-31.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020279302	0	47	-1.0	-42.71	386.10	8.24	-34.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020279302	1	47	-1.0	-42.72	386.04	8.22	-34.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020279303	0	51	-1.0	-41.12	397.04	8.01	-33.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020279303	1	51	-1.0	-41.10	397.10	8.03	-33.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020279304	0	48	-1.0	-43.70	374.87	7.23	-36.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020279304	1	48	-1.0	-43.70	374.81	7.20	-36.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020279305	0	54	-1.0	-42.74	431.40	9.88	-32.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020279305	1	54	-1.0	-42.79	431.45	9.90	-32.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020279306	0	51	-1.0	-44.89	407.76	9.14	-35.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020279306	1	51	-1.0	-44.93	407.81	9.16	-35.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020279307	0	55	-1.0	-41.41	414.07	9.62	-31.79
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020279307	1	55	-1.0	-41.43	414.12	9.63	-31.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020279308	0	52	-1.0	-43.93	384.64	9.37	-34.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020279308	1	52	-1.0	-43.89	384.72	9.38	-34.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020279309	0	47	-1.0	-50.32	398.00	7.73	-42.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020279309	1	47	-1.0	-50.36	398.07	7.74	-42.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020279310	0	50	-1.0	-43.67	406.87	7.19	-36.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020279310	1	50	-1.0	-43.68	406.93	7.21	-36.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020279311	0	47	-1.0	-45.85	380.66	6.93	-38.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020279311	1	47	-1.0	-45.81	380.77	6.95	-38.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020279312	0	55	-1.0	-41.52	401.18	9.71	-31.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020279312	1	55	-1.0	-41.59	401.22	9.73	-31.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020279313	0	52	-1.0	-43.10	386.87	9.09	-34.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020279313	1	52	-1.0	-43.10	386.81	9.07	-34.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020279314	0	51	-1.0	-45.66	383.77	3.46	-42.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020279314	1	51	-1.0	-45.70	383.83	3.46	-42.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020279315	0	48	-1.0	-48.57	360.83	3.03	-45.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020279315	1	48	-1.0	-48.60	360.91	3.04	-45.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020279316	0	50	-1.0	-46.51	397.18	7.97	-38.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020279316	1	50	-1.0	-46.49	397.15	7.95	-38.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020279317	0	47	-1.0	-44.68	384.22	7.68	-37.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020279317	1	47	-1.0	-44.70	384.16	7.65	-37.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020279318	0	49	-1.0	-42.19	387.70	8.82	-33.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020279318	1	49	-1.0	-42.22	387.75	8.84	-33.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020279319	0	46	-1.0	-47.16	363.68	8.37	-38.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020279319	1	46	-1.0	-47.21	363.59	8.35	-38.86
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CCF)C1	REAL300020279320	0	53	-1.0	-43.79	423.78	11.01	-32.78
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CCF)C1	REAL300020279320	1	53	-1.0	-43.78	423.85	11.00	-32.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCOC)CC1	REAL300020279321	0	56	-1.0	-41.17	436.00	8.54	-32.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCOC)CC1	REAL300020279321	1	56	-1.0	-41.15	436.05	8.55	-32.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCOC)CC1	REAL300020279322	0	53	-1.0	-43.96	419.66	7.60	-36.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCOC)CC1	REAL300020279322	1	53	-1.0	-43.97	419.72	7.62	-36.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020279323	0	48	-1.0	-40.97	345.88	4.86	-36.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020279323	1	48	-1.0	-41.02	345.95	4.87	-36.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020279324	0	45	-1.0	-46.76	357.70	5.48	-41.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020279324	1	45	-1.0	-46.69	357.64	5.46	-41.23
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020279325	0	52	-1.0	-43.68	409.13	8.16	-35.52
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020279325	1	52	-1.0	-43.72	409.14	8.15	-35.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020279326	0	54	-1.0	-43.43	429.49	8.94	-34.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020279326	1	54	-1.0	-43.44	429.56	8.97	-34.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020279327	0	50	-1.0	-39.12	390.45	7.12	-32.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020279327	1	50	-1.0	-39.08	390.50	7.13	-31.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020279328	0	47	-1.0	-41.62	367.73	6.77	-34.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020279328	1	47	-1.0	-41.64	367.68	6.74	-34.90
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020279329	0	54	-1.0	-40.99	427.88	9.04	-31.95
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020279329	1	54	-1.0	-40.96	427.76	9.02	-31.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=CC=C1F	REAL300020279330	0	52	-1.0	-46.12	416.90	9.01	-37.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=CC=C1F	REAL300020279330	1	52	-1.0	-46.13	416.96	9.03	-37.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=CC=C1F	REAL300020279331	0	49	-1.0	-48.70	392.82	8.50	-40.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=CC=C1F	REAL300020279331	1	49	-1.0	-48.76	392.76	8.48	-40.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020279332	0	46	-1.0	-41.53	352.74	8.25	-33.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020279332	1	46	-1.0	-41.49	352.80	8.27	-33.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020279333	0	43	-1.0	-44.93	346.32	7.29	-37.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020279333	1	43	-1.0	-44.97	346.26	7.26	-37.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020279334	0	50	-1.0	-47.21	415.19	2.75	-44.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020279334	1	50	-1.0	-47.19	415.14	2.72	-44.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020279335	0	51	-1.0	-40.76	410.58	8.11	-32.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020279335	1	51	-1.0	-40.76	410.63	8.13	-32.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020279336	0	48	-1.0	-46.28	401.06	7.63	-38.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020279336	1	48	-1.0	-46.30	401.01	7.62	-38.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020279337	0	45	-1.0	-46.27	377.54	5.60	-40.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020279337	1	45	-1.0	-46.30	377.59	5.61	-40.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020279338	0	42	-1.0	-51.77	350.95	5.07	-46.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020279338	1	42	-1.0	-51.78	350.90	5.04	-46.74
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020279339	0	49	-1.0	-48.81	407.91	7.61	-41.20
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020279339	1	49	-1.0	-48.74	407.94	7.60	-41.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020279340	0	52	-1.0	-40.26	405.00	8.81	-31.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020279340	1	52	-1.0	-40.27	405.06	8.82	-31.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020279341	0	49	-1.0	-45.14	350.05	6.86	-38.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020279341	1	49	-1.0	-45.09	350.00	6.85	-38.24
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020279342	0	56	-1.0	-41.41	434.50	10.91	-30.50
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020279342	1	56	-1.0	-41.37	434.59	10.90	-30.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020279343	0	57	-1.0	-40.98	427.75	9.02	-31.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020279343	1	57	-1.0	-41.00	427.81	9.04	-31.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020279344	0	54	-1.0	-42.65	412.70	8.42	-34.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020279344	1	54	-1.0	-42.65	412.76	8.45	-34.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020279345	0	57	-1.0	-42.30	434.26	8.95	-33.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020279345	1	57	-1.0	-42.31	434.32	8.97	-33.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020279346	0	54	-1.0	-47.39	409.20	8.55	-38.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020279346	1	54	-1.0	-47.36	409.26	8.57	-38.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020279347	0	45	-1.0	-42.72	354.67	5.01	-37.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020279347	1	45	-1.0	-42.73	354.72	5.02	-37.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020279348	0	42	-1.0	-45.27	342.23	4.57	-40.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020279348	1	42	-1.0	-45.27	342.18	4.55	-40.72
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020279349	0	49	-1.0	-43.80	391.18	7.30	-36.50
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020279349	1	49	-1.0	-43.75	391.22	7.29	-36.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020279350	0	50	-1.0	-50.89	392.00	6.36	-44.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020279350	1	50	-1.0	-50.91	392.05	6.37	-44.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020279351	0	47	-1.0	-50.48	374.05	5.76	-44.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020279351	1	47	-1.0	-50.43	373.99	5.73	-44.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020279352	0	45	-1.0	-39.63	363.10	8.44	-31.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020279352	1	45	-1.0	-39.62	363.15	8.45	-31.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020279353	0	42	-1.0	-43.51	334.25	7.75	-35.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020279353	1	42	-1.0	-43.49	334.19	7.72	-35.77
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020279354	0	49	-1.0	-42.49	401.54	10.93	-31.56
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020279354	1	49	-1.0	-42.48	401.55	10.92	-31.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020279355	0	48	-1.0	-52.13	387.63	2.94	-49.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020279355	1	48	-1.0	-52.13	387.68	2.96	-49.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020279356	0	48	-1.0	-51.26	388.58	3.45	-47.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020279356	1	48	-1.0	-51.28	388.64	3.47	-47.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020279357	0	49	-1.0	-45.74	408.06	4.87	-40.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020279357	1	49	-1.0	-45.76	408.11	4.90	-40.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020279358	0	53	-1.0	-46.52	407.88	1.74	-44.78
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020279358	1	53	-1.0	-46.54	407.95	1.74	-44.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020279359	0	50	-1.0	-48.45	390.70	1.06	-47.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020279359	1	50	-1.0	-48.44	390.76	1.08	-47.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020279360	0	51	-1.0	-40.17	407.85	8.46	-31.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020279360	1	51	-1.0	-40.15	407.89	8.47	-31.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020279361	0	48	-1.0	-41.74	386.99	7.70	-34.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020279361	1	48	-1.0	-41.77	386.92	7.68	-34.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020279362	0	48	-1.0	-43.08	381.63	3.41	-39.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020279362	1	48	-1.0	-43.04	381.71	3.43	-39.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020279363	0	45	-1.0	-44.74	363.47	3.04	-41.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020279363	1	45	-1.0	-44.75	363.41	3.00	-41.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020279364	0	49	-1.0	-45.24	402.98	5.79	-39.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020279364	1	49	-1.0	-45.27	403.04	5.81	-39.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020279365	0	46	-1.0	-45.89	384.32	5.10	-40.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020279365	1	46	-1.0	-45.86	384.26	5.08	-40.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020279366	0	47	-1.0	-40.07	383.18	6.23	-33.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020279366	1	47	-1.0	-40.06	383.24	6.24	-33.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020279367	0	44	-1.0	-42.16	363.36	5.51	-36.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020279367	1	44	-1.0	-42.10	363.43	5.52	-36.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020279368	0	50	-1.0	-42.51	402.73	6.44	-36.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020279368	1	50	-1.0	-42.54	402.79	6.46	-36.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020279369	0	47	-1.0	-43.09	386.81	5.64	-37.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020279369	1	47	-1.0	-43.10	386.87	5.67	-37.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020279370	0	53	-1.0	-39.57	421.03	11.02	-28.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020279370	1	53	-1.0	-39.58	421.09	11.03	-28.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020279371	0	50	-1.0	-48.94	403.25	9.29	-39.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020279371	1	50	-1.0	-48.93	403.18	9.28	-39.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020279372	0	50	-1.0	-47.85	409.38	6.44	-41.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020279372	1	50	-1.0	-47.87	409.44	6.46	-41.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020279373	0	47	-1.0	-46.25	392.43	5.54	-40.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020279373	1	47	-1.0	-46.27	392.38	5.51	-40.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020279374	0	53	-1.0	-44.04	414.10	2.68	-41.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020279374	1	53	-1.0	-44.06	414.16	2.69	-41.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020279375	0	50	-1.0	-45.98	397.73	2.05	-43.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020279375	1	50	-1.0	-46.04	397.67	2.03	-44.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020279376	0	47	-1.0	-43.27	362.06	6.10	-37.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020279376	1	47	-1.0	-43.29	362.12	6.12	-37.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020279377	0	44	-1.0	-43.49	345.68	4.95	-38.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020279377	1	44	-1.0	-43.49	345.62	4.92	-38.57
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1(C)COC1	REAL300020279378	0	51	-1.0	-43.25	398.08	8.29	-34.96
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1(C)COC1	REAL300020279378	1	51	-1.0	-43.22	398.11	8.29	-34.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CC	REAL300020279379	0	57	-1.0	-39.19	437.70	9.98	-29.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CC	REAL300020279379	1	57	-1.0	-39.17	437.76	10.00	-29.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CC	REAL300020279380	0	54	-1.0	-41.38	417.25	9.26	-32.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CC	REAL300020279380	1	54	-1.0	-41.38	417.30	9.28	-32.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020279381	0	53	-1.0	-39.88	413.35	10.07	-29.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020279381	1	53	-1.0	-39.89	413.41	10.09	-29.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020279382	0	50	-1.0	-41.88	392.44	9.60	-32.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020279382	1	50	-1.0	-41.89	392.38	9.57	-32.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020279383	0	49	-1.0	-44.59	395.27	8.23	-36.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020279383	1	49	-1.0	-44.65	395.33	8.25	-36.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020279384	0	46	-1.0	-45.47	380.44	7.36	-38.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020279384	1	46	-1.0	-45.45	380.39	7.33	-38.12
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020279385	0	45	-1.0	-42.15	371.43	5.70	-36.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020279385	1	45	-1.0	-42.16	371.49	5.71	-36.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020279386	0	42	-1.0	-44.08	352.17	4.99	-39.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020279386	1	42	-1.0	-44.11	352.12	4.96	-39.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CCCC	REAL300020279387	0	63	-1.0	-39.11	482.04	11.54	-27.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CCCC	REAL300020279387	1	63	-1.0	-39.11	482.09	11.56	-27.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CCCC	REAL300020279388	0	60	-1.0	-41.38	464.05	10.91	-30.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CCCC	REAL300020279388	1	60	-1.0	-41.37	464.11	10.93	-30.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020279389	0	50	-1.0	-43.77	401.52	7.55	-36.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020279389	1	50	-1.0	-43.80	401.58	7.56	-36.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020279390	0	47	-1.0	-43.94	354.08	6.02	-37.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020279390	1	47	-1.0	-43.95	354.13	6.03	-37.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020279391	0	54	-1.0	-45.39	405.24	7.21	-38.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020279391	1	54	-1.0	-45.40	405.30	7.22	-38.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020279392	0	51	-1.0	-47.23	382.11	6.34	-40.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020279392	1	51	-1.0	-47.19	382.17	6.37	-40.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020279393	0	54	-1.0	-45.39	405.24	7.21	-38.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020279393	1	54	-1.0	-45.40	405.30	7.22	-38.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020279394	0	51	-1.0	-47.23	382.11	6.34	-40.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020279394	1	51	-1.0	-47.19	382.17	6.37	-40.82
C=C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020279395	0	43	-1.0	-40.57	338.78	6.91	-33.66
C=C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020279395	1	43	-1.0	-40.58	338.84	6.93	-33.65
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020279396	0	47	-1.0	-41.77	377.76	9.32	-32.45
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020279396	1	47	-1.0	-41.78	377.81	9.31	-32.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020279397	0	51	-1.0	-41.54	387.62	8.07	-33.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020279397	1	51	-1.0	-41.56	387.69	8.09	-33.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020279398	0	48	-1.0	-43.61	363.64	7.57	-36.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020279398	1	48	-1.0	-43.64	363.58	7.56	-36.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020279399	0	47	-1.0	-40.14	383.97	6.60	-33.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020279399	1	47	-1.0	-40.07	384.02	6.62	-33.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020279400	0	44	-1.0	-44.84	360.32	5.75	-39.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020279400	1	44	-1.0	-44.83	360.38	5.78	-39.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020279401	0	47	-1.0	-40.72	387.53	6.84	-33.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020279401	1	47	-1.0	-40.71	387.59	6.86	-33.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020279402	0	44	-1.0	-42.59	373.92	6.12	-36.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020279402	1	44	-1.0	-42.58	373.98	6.14	-36.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020279403	0	47	-1.0	-44.11	369.32	6.34	-37.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020279403	1	47	-1.0	-44.08	369.37	6.36	-37.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020279404	0	55	-1.0	-43.86	423.57	9.35	-34.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020279404	1	55	-1.0	-43.87	423.63	9.36	-34.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020279405	0	52	-1.0	-44.55	404.61	8.70	-35.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020279405	1	52	-1.0	-44.60	404.56	8.68	-35.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(CC)CC)CC1	REAL300020279406	0	56	-1.0	-45.53	427.15	7.91	-37.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(CC)CC)CC1	REAL300020279406	1	56	-1.0	-45.53	427.22	7.94	-37.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020279407	0	45	-1.0	-41.10	359.32	5.61	-35.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020279407	1	45	-1.0	-41.11	359.38	5.63	-35.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020279408	0	42	-1.0	-44.10	333.18	5.16	-38.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020279408	1	42	-1.0	-44.11	333.07	5.15	-38.96
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020279409	0	49	-1.0	-42.89	391.69	7.63	-35.26
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020279409	1	49	-1.0	-42.89	391.74	7.64	-35.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CCCCC	REAL300020279410	0	58	-1.0	-40.70	442.81	9.72	-30.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CCCCC	REAL300020279410	1	58	-1.0	-40.69	442.87	9.73	-30.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CCCCC	REAL300020279411	0	55	-1.0	-42.59	422.62	9.75	-32.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CCCCC	REAL300020279411	1	55	-1.0	-42.59	422.68	9.77	-32.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020279412	0	56	-1.0	-41.04	430.88	9.60	-31.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020279412	1	56	-1.0	-41.07	430.94	9.61	-31.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020279413	0	53	-1.0	-45.75	409.68	9.13	-36.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020279413	1	53	-1.0	-45.71	409.61	9.12	-36.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020279414	0	54	-1.0	-40.30	438.60	8.69	-31.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020279414	1	54	-1.0	-40.37	438.66	8.70	-31.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020279415	0	51	-1.0	-43.45	408.25	8.18	-35.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020279415	1	51	-1.0	-43.50	408.20	8.17	-35.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020279416	0	55	-1.0	-44.18	427.42	10.00	-34.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020279416	1	55	-1.0	-44.25	427.47	10.02	-34.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020279417	0	52	-1.0	-48.53	412.56	7.66	-40.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020279417	1	52	-1.0	-48.52	412.62	7.69	-40.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020279418	0	44	-1.0	-39.03	352.94	7.94	-31.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020279418	1	44	-1.0	-39.06	353.00	7.95	-31.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020279419	0	41	-1.0	-43.31	324.89	8.04	-35.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020279419	1	41	-1.0	-43.28	324.85	8.03	-35.25
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020279420	0	48	-1.0	-41.26	386.46	10.34	-30.92
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020279420	1	48	-1.0	-41.20	386.65	10.33	-30.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(CC)=NO2)CC1	REAL300020279421	0	54	-1.0	-47.15	427.27	8.20	-38.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(CC)=NO2)CC1	REAL300020279421	1	54	-1.0	-47.20	427.32	8.21	-38.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020279422	0	56	-1.0	-45.25	439.89	9.10	-36.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020279422	1	56	-1.0	-45.22	439.95	9.12	-36.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020279423	0	53	-1.0	-47.22	413.19	9.26	-37.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020279423	1	53	-1.0	-47.27	413.25	9.26	-38.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020279424	0	52	-1.0	-41.78	419.08	7.58	-34.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020279424	1	52	-1.0	-41.77	419.02	7.57	-34.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020279425	0	49	-1.0	-44.13	392.55	7.03	-37.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020279425	1	49	-1.0	-44.09	392.50	7.00	-37.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020279426	0	44	-1.0	-44.66	372.46	5.79	-38.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020279426	1	44	-1.0	-44.62	372.49	5.81	-38.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020279427	0	41	-1.0	-43.17	353.60	5.85	-37.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020279427	1	41	-1.0	-43.13	353.55	5.83	-37.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C)C2	REAL300020279428	0	44	-1.0	-41.68	350.19	7.35	-34.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C)C2	REAL300020279428	1	44	-1.0	-41.68	350.24	7.37	-34.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C)C2	REAL300020279429	0	41	-1.0	-44.75	328.33	6.57	-38.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C)C2	REAL300020279429	1	41	-1.0	-44.77	328.28	6.54	-38.23
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020279430	0	48	-1.0	-42.99	382.02	9.35	-33.64
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020279430	1	48	-1.0	-42.92	382.06	9.34	-33.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020279431	0	49	-1.0	-40.45	391.05	5.25	-35.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020279431	1	49	-1.0	-40.46	391.11	5.26	-35.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020279432	0	46	-1.0	-43.58	363.69	4.28	-39.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020279432	1	46	-1.0	-43.58	363.64	4.26	-39.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020279433	0	51	-1.0	-43.69	419.55	9.06	-34.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020279433	1	51	-1.0	-43.68	419.61	9.08	-34.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020279434	0	45	-1.0	-39.95	373.48	8.35	-31.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020279434	1	45	-1.0	-39.97	373.53	8.36	-31.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020279435	0	42	-1.0	-43.23	351.78	8.24	-34.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020279435	1	42	-1.0	-43.21	351.74	8.21	-35.00
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CCSC1	REAL300020279436	0	49	-1.0	-42.98	402.77	10.40	-32.58
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CCSC1	REAL300020279436	1	49	-1.0	-43.01	402.81	10.40	-32.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020279437	0	48	-1.0	-41.99	355.89	5.78	-36.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020279437	1	48	-1.0	-42.00	355.94	5.79	-36.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020279438	0	45	-1.0	-44.07	337.28	5.00	-39.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020279438	1	45	-1.0	-44.05	337.23	4.98	-39.07
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020279439	0	52	-1.0	-43.53	395.70	7.84	-35.69
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020279439	1	52	-1.0	-43.46	395.74	7.84	-35.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020279440	0	53	-1.0	-40.61	412.29	10.51	-30.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020279440	1	53	-1.0	-40.61	412.35	10.53	-30.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020279441	0	50	-1.0	-42.71	398.73	9.11	-33.60
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C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020279444	1	49	-1.0	-45.07	405.70	6.62	-38.45
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C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020279445	1	46	-1.0	-47.59	379.63	5.99	-41.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020279446	0	52	-1.0	-47.20	412.70	7.20	-40.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020279446	1	52	-1.0	-47.24	412.76	7.22	-40.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020279447	0	49	-1.0	-51.64	384.33	7.59	-44.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020279447	1	49	-1.0	-51.64	384.36	7.61	-44.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(CC)CCCCCC	REAL300020279448	0	63	-1.0	-38.73	470.00	13.03	-25.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(CC)CCCCCC	REAL300020279448	1	63	-1.0	-38.76	470.06	13.04	-25.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(CC)CCCCCC	REAL300020279449	0	60	-1.0	-41.70	457.48	11.48	-30.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(CC)CCCCCC	REAL300020279449	1	60	-1.0	-41.68	457.54	11.51	-30.17
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C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020279450	1	48	-1.0	-41.77	400.68	6.79	-34.98
C#CCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020279451	0	45	-1.0	-43.10	368.32	6.39	-36.71
C#CCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020279451	1	45	-1.0	-43.10	368.27	6.38	-36.72
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020279452	0	52	-1.0	-42.01	425.10	8.88	-33.13
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020279452	1	52	-1.0	-41.99	425.15	8.87	-33.12
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020279453	0	47	-1.0	-41.80	371.96	8.97	-32.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020279453	1	47	-1.0	-41.78	372.00	8.99	-32.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020279454	0	44	-1.0	-45.49	355.37	8.95	-36.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020279454	1	44	-1.0	-45.45	355.31	8.94	-36.51
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020279455	0	51	-1.0	-42.43	410.63	11.31	-31.12
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C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020279456	1	54	-1.0	-39.72	413.25	7.64	-32.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020279457	0	51	-1.0	-42.29	393.08	7.06	-35.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020279457	1	51	-1.0	-42.23	393.00	7.04	-35.19
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020279458	0	59	-1.0	-40.18	438.07	10.97	-29.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020279458	1	59	-1.0	-40.13	438.12	10.98	-29.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020279459	0	56	-1.0	-42.47	419.62	10.38	-32.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020279459	1	56	-1.0	-42.43	419.69	10.40	-32.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020279460	0	53	-1.0	-42.44	419.93	11.08	-31.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020279460	1	53	-1.0	-42.43	419.99	11.10	-31.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020279461	0	50	-1.0	-45.72	382.98	9.77	-35.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020279461	1	50	-1.0	-45.64	382.90	9.75	-35.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020279462	0	51	-1.0	-42.51	408.18	10.15	-32.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020279462	1	51	-1.0	-42.53	408.24	10.16	-32.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020279463	0	48	-1.0	-45.29	384.55	9.41	-35.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020279463	1	48	-1.0	-45.33	384.50	9.39	-35.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020279464	0	51	-1.0	-45.05	413.71	5.28	-39.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020279464	1	51	-1.0	-45.03	413.77	5.29	-39.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020279465	0	48	-1.0	-46.32	384.90	5.53	-40.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020279465	1	48	-1.0	-46.30	384.93	5.55	-40.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020279466	0	55	-1.0	-40.12	416.74	9.37	-30.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020279466	1	55	-1.0	-40.13	416.79	9.39	-30.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020279467	0	52	-1.0	-42.09	402.09	8.05	-34.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020279467	1	52	-1.0	-42.10	402.18	8.08	-34.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020279468	0	55	-1.0	-44.98	431.51	6.75	-38.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020279468	1	55	-1.0	-45.01	431.57	6.76	-38.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020279469	0	52	-1.0	-44.02	411.77	6.88	-37.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020279469	1	52	-1.0	-44.00	411.70	6.87	-37.13
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C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020279470	1	49	-1.0	-41.63	382.28	6.91	-34.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020279471	0	46	-1.0	-44.14	353.51	6.77	-37.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020279471	1	46	-1.0	-44.18	353.45	6.75	-37.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020279472	0	51	-1.0	-49.33	405.57	5.33	-44.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020279472	1	51	-1.0	-49.40	405.63	5.35	-44.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020279473	0	48	-1.0	-51.36	381.84	5.89	-45.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020279473	1	48	-1.0	-51.30	381.78	5.87	-45.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020279474	0	55	-1.0	-40.13	406.91	7.41	-32.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020279474	1	55	-1.0	-40.10	406.97	7.43	-32.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020279475	0	52	-1.0	-41.81	390.03	6.82	-34.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020279475	1	52	-1.0	-41.84	390.09	6.84	-35.00
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020279476	0	49	-1.0	-40.38	385.09	8.74	-31.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020279476	1	49	-1.0	-40.46	385.14	8.75	-31.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020279477	0	46	-1.0	-41.33	376.25	7.96	-33.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020279477	1	46	-1.0	-41.30	376.20	7.94	-33.36
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1(C)C	REAL300020279478	0	53	-1.0	-41.31	422.87	10.86	-30.45
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1(C)C	REAL300020279478	1	53	-1.0	-41.32	422.91	10.85	-30.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020279479	0	51	-1.0	-41.53	387.50	5.77	-35.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020279479	1	51	-1.0	-41.51	387.55	5.78	-35.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020279480	0	48	-1.0	-44.09	367.90	5.03	-39.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020279480	1	48	-1.0	-44.08	367.84	5.01	-39.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOC1=CC=CC=C1OC	REAL300020279481	0	54	-1.0	-46.68	428.02	9.07	-37.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOC1=CC=CC=C1OC	REAL300020279481	1	54	-1.0	-46.66	428.05	9.09	-37.57
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C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020279482	1	49	-1.0	-45.77	400.04	3.28	-42.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020279483	0	46	-1.0	-48.95	381.50	2.36	-46.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NN=C(C)O1)C2	REAL300020279483	1	46	-1.0	-48.98	381.43	2.34	-46.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020279484	0	59	0.0	-66.72	432.50	7.65	-59.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020279484	1	59	0.0	-66.68	432.57	7.65	-59.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020279485	0	56	0.0	-68.20	426.12	8.30	-59.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020279485	1	56	0.0	-68.20	426.18	8.31	-59.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020279486	0	47	-1.0	-40.26	362.12	9.02	-31.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020279486	1	47	-1.0	-40.26	362.17	9.03	-31.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020279487	0	44	-1.0	-45.08	326.44	7.93	-37.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020279487	1	44	-1.0	-45.09	326.38	7.90	-37.19
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020279488	0	51	-1.0	-41.74	397.96	11.16	-30.58
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020279488	1	51	-1.0	-41.67	397.96	11.15	-30.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020279489	0	56	-1.0	-48.85	445.71	7.01	-41.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020279489	1	56	-1.0	-48.82	445.77	7.02	-41.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020279490	0	53	-1.0	-51.45	425.74	6.48	-44.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020279490	1	53	-1.0	-51.42	425.80	6.50	-44.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020279491	0	56	-1.0	-45.49	413.92	6.13	-39.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020279491	1	56	-1.0	-45.49	413.97	6.14	-39.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020279492	0	53	-1.0	-50.95	391.11	5.77	-45.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020279492	1	53	-1.0	-50.97	391.29	5.78	-45.19
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020279493	0	45	-1.0	-46.25	366.35	4.66	-41.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020279493	1	45	-1.0	-46.25	366.41	4.67	-41.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020279494	0	42	-1.0	-43.73	343.52	5.66	-38.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020279494	1	42	-1.0	-43.73	343.47	5.64	-38.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020279495	0	47	-1.0	-41.16	376.18	9.15	-32.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020279495	1	47	-1.0	-41.13	376.24	9.17	-31.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020279496	0	44	-1.0	-43.25	355.80	7.87	-35.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020279496	1	44	-1.0	-43.26	355.74	7.84	-35.42
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020279497	0	51	-1.0	-42.18	414.91	11.38	-30.80
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020279497	1	51	-1.0	-42.14	414.87	11.36	-30.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020279498	0	52	-1.0	-41.87	407.42	8.76	-33.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020279498	1	52	-1.0	-41.85	407.48	8.78	-33.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020279499	0	49	-1.0	-45.63	368.42	7.04	-38.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020279499	1	49	-1.0	-45.62	368.47	7.07	-38.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020279500	0	55	-1.0	-44.72	418.14	6.88	-37.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020279500	1	55	-1.0	-44.69	418.20	6.89	-37.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020279501	0	52	-1.0	-46.22	400.82	6.21	-40.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020279501	1	52	-1.0	-46.21	400.88	6.23	-39.98
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020279502	0	55	-1.0	-41.56	427.70	9.91	-31.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020279502	1	55	-1.0	-41.60	427.76	9.92	-31.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020279503	0	52	-1.0	-44.31	405.18	9.17	-35.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020279503	1	52	-1.0	-44.31	405.12	9.15	-35.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020279504	0	50	-1.0	-41.35	395.04	7.04	-34.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020279504	1	50	-1.0	-41.36	395.09	7.06	-34.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020279505	0	47	-1.0	-43.82	386.26	6.26	-37.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020279505	1	47	-1.0	-43.81	386.21	6.24	-37.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020279506	0	56	-1.0	-40.77	421.64	7.68	-33.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020279506	1	56	-1.0	-40.79	421.70	7.69	-33.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020279507	0	53	-1.0	-41.78	418.39	7.96	-33.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020279507	1	53	-1.0	-41.80	418.45	7.98	-33.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020279508	0	53	-1.0	-52.41	417.32	5.94	-46.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020279508	1	53	-1.0	-52.48	417.36	5.96	-46.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020279509	0	50	-1.0	-54.60	398.38	4.80	-49.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020279509	1	50	-1.0	-54.65	398.32	4.78	-49.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020279510	0	51	-1.0	-50.64	418.47	3.64	-47.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020279510	1	51	-1.0	-50.67	418.55	3.66	-47.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020279511	0	48	-1.0	-51.98	396.17	2.61	-49.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020279511	1	48	-1.0	-51.98	396.23	2.63	-49.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020279512	0	54	-1.0	-46.16	431.94	3.39	-42.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020279512	1	54	-1.0	-46.12	431.99	3.40	-42.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020279513	0	51	-1.0	-50.37	406.49	3.19	-47.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020279513	1	51	-1.0	-50.37	406.55	3.21	-47.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020279514	0	46	-1.0	-41.98	360.22	7.42	-34.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020279514	1	46	-1.0	-41.95	360.27	7.43	-34.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020279515	0	43	-1.0	-42.95	333.87	6.92	-36.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020279515	1	43	-1.0	-42.96	333.93	6.94	-36.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020279516	0	46	-1.0	-42.48	371.76	7.91	-34.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020279516	1	46	-1.0	-42.54	371.82	7.93	-34.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020279517	0	43	-1.0	-46.01	348.16	7.37	-38.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020279517	1	43	-1.0	-46.01	348.11	7.35	-38.66
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)CC1	REAL300020279518	0	50	-1.0	-43.86	405.43	9.97	-33.89
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)CC1	REAL300020279518	1	50	-1.0	-43.74	405.42	9.95	-33.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020279519	0	52	-1.0	-39.93	405.83	10.59	-29.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020279519	1	52	-1.0	-39.88	405.89	10.60	-29.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020279520	0	49	-1.0	-43.44	378.32	9.84	-33.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020279520	1	49	-1.0	-43.46	378.29	9.82	-33.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020279521	0	52	-1.0	-40.00	410.15	9.57	-30.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020279521	1	52	-1.0	-39.99	410.21	9.59	-30.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020279522	0	49	-1.0	-41.78	388.71	8.80	-32.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020279522	1	49	-1.0	-41.79	388.66	8.78	-33.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020279523	0	50	-1.0	-40.02	386.18	9.36	-30.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020279523	1	50	-1.0	-40.00	386.24	9.37	-30.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020279524	0	47	-1.0	-44.65	342.51	8.18	-36.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020279524	1	47	-1.0	-44.63	342.46	8.17	-36.46
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020279525	0	54	-1.0	-43.44	401.12	10.13	-33.31
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020279525	1	54	-1.0	-43.39	401.19	10.11	-33.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC=CC)C1	REAL300020279526	0	53	-1.0	-40.20	417.51	10.12	-30.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC=CC)C1	REAL300020279526	1	53	-1.0	-40.21	417.57	10.13	-30.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC=CC)C1	REAL300020279527	0	50	-1.0	-44.99	388.10	9.73	-35.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC=CC)C1	REAL300020279527	1	50	-1.0	-45.03	388.05	9.71	-35.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020279528	0	51	-1.0	-47.28	408.62	9.33	-37.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C(F)=C2)C1	REAL300020279528	1	51	-1.0	-47.27	408.68	9.35	-37.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CS(=O)(=O)NC)C1	REAL300020279529	0	51	-1.0	-50.41	408.00	3.95	-46.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CS(=O)(=O)NC)C1	REAL300020279529	1	51	-1.0	-50.46	408.05	3.97	-46.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(COC)C1	REAL300020279530	0	51	-1.0	-41.16	400.26	5.93	-35.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(COC)C1	REAL300020279530	1	51	-1.0	-41.16	400.31	5.94	-35.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(COC)C1	REAL300020279531	0	48	-1.0	-42.63	383.92	4.97	-37.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(COC)C1	REAL300020279531	1	48	-1.0	-42.61	383.86	4.95	-37.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020279532	0	51	-1.0	-51.47	416.63	9.67	-41.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020279532	1	51	-1.0	-51.54	416.68	9.68	-41.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020279533	0	48	-1.0	-53.10	388.18	8.92	-44.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020279533	1	48	-1.0	-53.10	388.16	8.89	-44.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020279534	0	48	-1.0	-46.76	368.84	2.40	-44.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020279534	1	48	-1.0	-46.77	368.91	2.40	-44.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020279535	0	45	-1.0	-48.96	362.42	3.08	-45.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020279535	1	45	-1.0	-48.94	362.34	3.06	-45.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(CC)C=C2)CC1	REAL300020279536	0	56	-1.0	-43.00	435.80	12.38	-30.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(CC)C=C2)CC1	REAL300020279536	1	56	-1.0	-43.00	435.88	12.40	-30.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020279537	0	50	-1.0	-40.83	402.79	11.78	-29.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020279537	1	50	-1.0	-40.82	402.85	11.79	-29.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020279538	0	47	-1.0	-44.56	387.44	11.33	-33.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020279538	1	47	-1.0	-44.55	387.44	11.31	-33.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020279539	0	54	-1.0	-40.07	411.91	9.66	-30.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020279539	1	54	-1.0	-40.08	411.95	9.68	-30.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020279540	0	51	-1.0	-43.16	380.97	9.91	-33.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020279540	1	51	-1.0	-43.13	381.01	9.92	-33.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020279541	0	58	0.0	-69.79	406.77	8.95	-60.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020279541	1	58	0.0	-69.80	406.83	8.97	-60.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020279542	0	55	0.0	-67.66	393.43	7.95	-59.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020279542	1	55	0.0	-67.69	393.48	7.98	-59.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020279543	0	46	-1.0	-41.42	375.66	7.86	-33.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020279543	1	46	-1.0	-41.46	375.72	7.88	-33.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020279544	0	43	-1.0	-43.47	355.71	6.59	-36.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020279544	1	43	-1.0	-43.49	355.66	6.57	-36.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020279545	0	48	-1.0	-42.44	388.17	5.84	-36.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020279545	1	48	-1.0	-42.41	388.22	5.85	-36.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020279546	0	45	-1.0	-44.45	362.83	6.33	-38.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020279546	1	45	-1.0	-44.45	362.78	6.31	-38.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020279547	0	59	0.0	-65.94	433.57	9.47	-56.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020279547	1	59	0.0	-65.95	433.62	9.48	-56.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020279548	0	56	0.0	-65.92	406.10	8.80	-57.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020279548	1	56	0.0	-65.94	406.15	8.83	-57.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020279549	0	47	-1.0	-43.58	392.67	4.62	-38.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020279549	1	47	-1.0	-43.60	392.72	4.63	-38.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020279550	0	44	-1.0	-45.67	375.76	3.96	-41.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020279550	1	44	-1.0	-45.71	375.82	3.99	-41.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020279551	0	52	-1.0	-43.09	425.74	8.68	-34.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020279551	1	52	-1.0	-43.05	425.79	8.70	-34.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020279552	0	49	-1.0	-45.38	401.02	8.68	-36.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020279552	1	49	-1.0	-45.34	401.12	8.69	-36.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020279553	0	62	0.0	-65.75	442.68	9.74	-56.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020279553	1	62	0.0	-65.79	442.73	9.76	-56.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020279554	0	59	0.0	-71.22	416.62	9.06	-62.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020279554	1	59	0.0	-71.30	416.64	9.09	-62.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(OCC)CC1	REAL300020279555	0	49	-1.0	-39.16	398.12	6.02	-33.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(OCC)CC1	REAL300020279555	1	49	-1.0	-39.22	398.17	6.04	-33.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(OCC)CC1	REAL300020279556	0	46	-1.0	-43.67	365.41	5.84	-37.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(OCC)CC1	REAL300020279556	1	46	-1.0	-43.62	365.39	5.83	-37.79
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(OCC)CC1	REAL300020279557	0	53	-1.0	-40.90	431.81	8.09	-32.81
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(OCC)CC1	REAL300020279557	1	53	-1.0	-40.83	431.84	8.06	-32.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020279558	0	49	-1.0	-40.80	386.25	9.17	-31.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020279558	1	49	-1.0	-40.79	386.30	9.18	-31.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020279559	0	46	-1.0	-42.70	371.12	7.94	-34.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020279559	1	46	-1.0	-42.72	371.07	7.91	-34.81
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCF)CC1	REAL300020279560	0	53	-1.0	-43.16	414.65	10.82	-32.34
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCF)CC1	REAL300020279560	1	53	-1.0	-43.18	414.68	10.81	-32.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COCC)C1	REAL300020279561	0	51	-1.0	-40.75	387.77	4.95	-35.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COCC)C1	REAL300020279561	1	51	-1.0	-40.75	387.84	4.95	-35.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COCC)C1	REAL300020279562	0	48	-1.0	-42.62	391.82	4.99	-37.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COCC)C1	REAL300020279562	1	48	-1.0	-42.62	391.89	5.02	-37.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020279563	0	59	0.0	-69.56	445.15	7.39	-62.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020279563	1	59	0.0	-69.58	445.21	7.41	-62.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020279564	0	47	-1.0	-42.44	379.67	8.96	-33.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020279564	1	47	-1.0	-42.47	379.73	8.97	-33.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020279565	0	44	-1.0	-43.82	361.88	7.78	-36.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020279565	1	44	-1.0	-43.81	361.94	7.81	-36.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020279566	0	57	0.0	-68.44	414.07	7.12	-61.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020279566	1	57	0.0	-68.44	414.13	7.14	-61.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020279566	1	56	-1.0	-43.46	408.04	5.26	-38.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020279566	1	56	-1.0	-43.50	408.08	5.29	-38.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(SC)CC1	REAL300020279567	0	47	-1.0	-40.77	367.69	8.11	-32.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(SC)CC1	REAL300020279567	1	47	-1.0	-40.75	367.75	8.12	-32.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(SC)CC1	REAL300020279568	0	44	-1.0	-42.74	355.89	8.81	-33.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(SC)CC1	REAL300020279568	1	44	-1.0	-42.70	355.86	8.78	-33.92
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(SC)CC1	REAL300020279569	0	51	-1.0	-41.24	418.37	10.60	-30.64
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(SC)CC1	REAL300020279569	1	51	-1.0	-41.20	418.39	10.58	-30.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020279570	0	53	-1.0	-44.75	415.93	9.53	-35.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020279570	1	53	-1.0	-44.82	415.88	9.50	-35.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020279571	0	58	-1.0	-41.39	431.83	10.89	-30.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020279571	1	58	-1.0	-41.33	431.89	10.90	-30.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020279572	0	55	-1.0	-41.38	395.65	11.15	-30.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020279572	1	55	-1.0	-41.42	395.72	11.17	-30.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020279573	0	47	-1.0	-42.79	373.69	4.06	-38.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020279573	1	47	-1.0	-42.81	373.74	4.07	-38.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020279574	0	44	-1.0	-45.11	363.17	3.48	-41.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020279574	1	44	-1.0	-45.12	363.11	3.45	-41.67
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020279575	0	51	-1.0	-44.17	409.15	5.63	-38.54
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020279575	1	51	-1.0	-44.18	409.14	5.62	-38.56
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020279576	0	50	-1.0	-50.89	392.00	6.36	-44.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020279576	1	50	-1.0	-50.91	392.05	6.37	-44.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020279577	0	47	-1.0	-50.48	374.05	5.76	-44.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020279577	1	47	-1.0	-50.43	373.99	5.73	-44.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020279578	0	47	-1.0	-41.73	372.67	8.11	-33.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020279578	1	47	-1.0	-41.74	372.72	8.14	-33.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020279579	0	44	-1.0	-42.90	353.99	7.50	-35.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020279579	1	44	-1.0	-42.87	353.96	7.47	-35.40
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC1C#N	REAL300020279580	0	51	-1.0	-44.12	402.77	10.12	-34.00
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC1C#N	REAL300020279580	1	51	-1.0	-44.12	402.79	10.12	-34.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020279581	0	51	-1.0	-56.24	408.28	5.47	-50.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020279581	1	51	-1.0	-56.28	408.22	5.46	-50.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020279582	0	51	-1.0	-53.24	403.49	6.97	-46.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020279582	1	51	-1.0	-53.17	403.43	6.95	-46.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020279583	0	54	-1.0	-43.86	398.38	6.81	-37.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020279583	1	54	-1.0	-43.83	398.44	6.83	-37.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020279584	0	51	-1.0	-49.80	368.30	5.73	-44.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020279584	1	51	-1.0	-49.78	368.24	5.70	-44.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020279585	0	50	-1.0	-41.16	400.57	8.28	-32.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020279585	1	50	-1.0	-41.11	400.63	8.29	-32.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020279586	0	47	-1.0	-43.82	382.34	7.88	-35.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020279586	1	47	-1.0	-43.76	382.54	7.86	-35.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020279587	0	45	-1.0	-40.94	351.82	6.52	-34.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020279587	1	45	-1.0	-40.91	351.88	6.54	-34.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020279588	0	42	-1.0	-43.82	325.92	6.38	-37.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020279588	1	42	-1.0	-43.78	325.88	6.36	-37.42
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020279589	0	49	-1.0	-43.29	378.94	8.45	-34.84
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020279589	1	49	-1.0	-43.24	378.99	8.43	-34.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020279590	0	52	-1.0	-42.09	429.64	6.75	-35.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020279590	1	52	-1.0	-42.10	429.70	6.76	-35.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020279591	0	49	-1.0	-44.97	401.59	5.98	-38.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020279591	1	49	-1.0	-44.96	401.55	5.95	-39.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020279592	0	52	-1.0	-43.38	409.76	8.02	-35.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020279592	1	52	-1.0	-43.40	409.82	8.03	-35.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020279593	0	49	-1.0	-42.32	387.96	7.31	-35.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020279593	1	49	-1.0	-42.33	387.90	7.28	-35.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020279594	0	56	0.0	-80.14	440.61	10.51	-69.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020279594	1	56	0.0	-80.16	440.57	10.49	-69.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020279595	0	53	0.0	-81.18	416.88	9.71	-71.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020279595	1	53	0.0	-81.17	416.82	9.68	-71.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020279596	0	47	-1.0	-44.64	374.18	7.27	-37.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020279596	1	47	-1.0	-44.69	374.23	7.29	-37.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020279597	0	47	-1.0	-41.48	380.14	6.38	-35.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020279597	1	47	-1.0	-41.52	380.20	6.40	-35.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020279598	0	44	-1.0	-45.92	353.30	6.38	-39.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020279598	1	44	-1.0	-45.93	353.26	6.36	-39.57
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCF)C1	REAL300020279599	0	51	-1.0	-43.95	417.35	8.92	-35.03
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCF)C1	REAL300020279599	1	51	-1.0	-43.96	417.42	8.91	-35.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020279600	0	54	-1.0	-41.71	425.34	11.09	-30.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020279600	1	54	-1.0	-41.72	425.40	11.10	-30.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020279601	0	51	-1.0	-45.66	401.57	10.45	-35.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020279601	1	51	-1.0	-45.67	401.63	10.48	-35.19
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)CCC1C	REAL300020279602	0	50	-1.0	-40.31	397.30	6.25	-34.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)CCC1C	REAL300020279602	1	50	-1.0	-40.32	397.36	6.26	-34.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)CCC1C	REAL300020279603	0	47	-1.0	-42.30	372.54	5.93	-36.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)CCC1C	REAL300020279603	1	47	-1.0	-42.25	372.49	5.91	-36.34
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)CCC1C	REAL300020279604	0	54	-1.0	-41.23	428.40	8.14	-33.09
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)CCC1C	REAL300020279604	1	54	-1.0	-41.11	427.97	8.29	-32.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020279605	0	53	-1.0	-43.91	400.42	7.35	-36.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020279605	1	53	-1.0	-43.94	400.47	7.35	-36.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(OC)C=C1	REAL300020279606	0	56	-1.0	-43.28	443.37	8.74	-34.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(OC)C=C1	REAL300020279606	1	56	-1.0	-43.31	443.43	8.76	-34.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(OC)C=C1	REAL300020279607	0	53	-1.0	-46.27	417.49	8.14	-38.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(OC)C=C1	REAL300020279607	1	53	-1.0	-46.28	417.45	8.13	-38.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020279608	0	52	-1.0	-40.66	426.94	8.97	-31.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020279608	1	52	-1.0	-40.67	427.00	8.99	-31.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020279609	0	49	-1.0	-43.44	396.97	8.99	-34.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020279609	1	49	-1.0	-43.43	396.91	8.96	-34.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020279610	0	46	-1.0	-45.28	364.43	3.24	-42.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020279610	1	46	-1.0	-45.24	364.49	3.25	-41.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020279611	0	43	-1.0	-46.23	342.49	2.45	-43.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020279611	1	43	-1.0	-46.24	342.43	2.42	-43.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020279612	0	50	-1.0	-44.44	395.55	6.27	-38.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020279612	1	50	-1.0	-44.40	395.59	6.29	-38.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020279613	0	47	-1.0	-46.01	369.80	5.46	-40.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020279613	1	47	-1.0	-46.00	369.74	5.44	-40.56
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020279614	0	48	-1.0	-42.49	393.31	7.93	-34.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020279614	1	48	-1.0	-42.51	393.36	7.94	-34.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020279615	0	45	-1.0	-47.16	364.34	8.04	-39.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020279615	1	45	-1.0	-47.13	364.30	8.02	-39.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020279616	0	40	-1.0	-47.26	338.12	7.44	-39.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020279616	1	40	-1.0	-47.27	338.06	7.43	-39.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020279617	0	37	-1.0	-50.10	316.37	6.63	-43.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020279617	1	37	-1.0	-50.13	316.31	6.60	-43.53
C=C(C)CN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020279618	0	44	-1.0	-49.09	372.78	9.41	-39.68
C=C(C)CN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020279618	1	44	-1.0	-49.15	372.73	9.42	-39.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020279619	0	51	-1.0	-42.53	413.34	8.95	-33.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020279619	1	51	-1.0	-42.55	413.38	8.97	-33.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020279620	0	48	-1.0	-46.10	375.95	7.31	-38.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020279620	1	48	-1.0	-46.09	376.00	7.34	-38.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020279621	0	46	-1.0	-41.07	356.38	7.24	-33.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020279621	1	46	-1.0	-41.04	356.43	7.26	-33.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020279622	0	43	-1.0	-45.93	352.52	8.00	-37.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020279622	1	43	-1.0	-45.92	352.59	8.02	-37.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2OC)C1	REAL300020279623	0	52	-1.0	-45.18	401.71	6.54	-38.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2OC)C1	REAL300020279623	1	52	-1.0	-45.17	401.77	6.56	-38.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020279624	0	48	-1.0	-41.95	364.93	8.28	-33.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020279624	1	48	-1.0	-41.95	364.96	8.28	-33.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020279625	0	45	-1.0	-43.76	346.20	8.74	-35.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020279625	1	45	-1.0	-43.73	346.17	8.71	-35.02
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020279626	0	52	-1.0	-43.18	394.35	10.26	-32.92
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020279626	1	52	-1.0	-43.17	394.39	10.24	-32.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020279627	0	55	-1.0	-45.54	427.31	7.52	-38.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020279627	1	55	-1.0	-45.60	427.36	7.55	-38.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(OC)C=C2)C1	REAL300020279628	0	52	-1.0	-44.31	426.26	7.41	-36.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(OC)C=C2)C1	REAL300020279628	1	52	-1.0	-44.29	426.32	7.43	-36.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020279629	0	47	-1.0	-46.93	385.41	5.56	-41.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020279629	1	47	-1.0	-46.97	385.47	5.57	-41.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020279630	0	44	-1.0	-49.02	368.70	5.18	-43.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020279630	1	44	-1.0	-48.99	368.65	5.15	-43.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020279631	0	53	-1.0	-41.17	424.77	11.21	-29.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020279631	1	53	-1.0	-41.12	424.83	11.22	-29.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020279632	0	50	-1.0	-45.19	388.04	9.77	-35.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020279632	1	50	-1.0	-45.14	388.10	9.79	-35.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020279633	0	52	-1.0	-49.59	405.38	6.06	-43.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020279633	1	52	-1.0	-49.63	405.44	6.08	-43.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020279634	0	49	-1.0	-54.17	379.18	4.89	-49.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020279634	1	49	-1.0	-54.20	379.24	4.90	-49.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020279635	0	48	-1.0	-41.64	363.54	7.83	-33.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020279635	1	48	-1.0	-41.66	363.62	7.85	-33.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020279636	0	45	-1.0	-43.77	348.12	7.22	-36.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020279636	1	45	-1.0	-43.75	348.07	7.19	-36.56
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020279637	0	49	-1.0	-39.42	403.79	10.28	-29.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020279637	1	49	-1.0	-39.42	403.84	10.30	-29.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020279638	0	46	-1.0	-40.15	388.37	9.82	-30.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020279638	1	46	-1.0	-40.12	388.29	9.80	-30.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020279639	0	53	-1.0	-42.44	414.19	8.77	-33.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020279639	1	53	-1.0	-42.42	414.24	8.79	-33.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020279640	0	50	-1.0	-47.49	387.67	8.44	-39.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020279640	1	50	-1.0	-47.43	387.61	8.42	-39.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020279641	0	53	0.0	-68.25	399.46	8.30	-59.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020279641	1	53	0.0	-72.99	376.14	7.49	-65.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020279641	1	53	0.0	-68.24	399.52	8.32	-59.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020279641	1	53	0.0	-72.99	376.22	7.52	-65.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020279642	0	50	0.0	-66.69	383.09	7.68	-59.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020279642	1	50	0.0	-66.62	386.07	7.80	-58.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020279642	1	50	0.0	-66.69	383.03	7.66	-59.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020279642	1	50	0.0	-66.61	386.01	7.77	-58.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020279643	0	50	-1.0	-47.86	402.50	8.38	-39.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020279643	1	50	-1.0	-47.80	402.52	8.40	-39.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020279644	0	52	-1.0	-40.87	417.30	8.33	-32.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020279644	1	52	-1.0	-40.87	417.36	8.34	-32.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020279645	0	49	-1.0	-42.88	399.46	7.87	-35.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020279645	1	49	-1.0	-42.84	399.53	7.88	-34.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020279646	0	53	-1.0	-44.84	405.14	9.73	-35.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020279646	1	53	-1.0	-44.81	405.08	9.71	-35.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020279647	0	58	0.0	-68.83	431.32	7.30	-61.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020279647	1	58	0.0	-68.87	431.44	7.32	-61.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020279648	0	49	-1.0	-45.26	399.03	6.23	-39.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020279648	1	49	-1.0	-45.25	399.09	6.24	-39.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020279649	0	46	-1.0	-49.62	368.43	5.82	-43.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020279649	1	46	-1.0	-49.60	368.43	5.80	-43.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020279650	0	51	-1.0	-45.90	405.32	8.39	-37.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020279650	1	51	-1.0	-45.87	405.36	8.41	-37.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020279651	0	48	-1.0	-53.75	391.36	7.84	-45.91
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020279651	1	48	-1.0	-53.77	391.30	7.81	-45.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020279652	0	55	0.0	-67.71	409.70	8.88	-58.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020279652	1	55	0.0	-66.37	404.66	8.31	-58.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020279652	1	55	0.0	-67.74	409.65	8.87	-58.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020279652	1	55	0.0	-66.37	404.60	8.29	-58.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020279653	0	52	0.0	-71.87	384.72	8.46	-63.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020279653	1	52	0.0	-68.99	378.98	8.52	-60.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020279653	1	52	0.0	-71.91	384.67	8.45	-63.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020279653	1	52	0.0	-68.96	378.93	8.50	-60.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020279654	0	55	-1.0	-49.73	424.39	9.61	-40.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020279654	1	55	-1.0	-49.73	424.44	9.62	-40.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020279655	0	57	-1.0	-40.23	426.01	9.29	-30.94
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020279655	1	57	-1.0	-40.26	426.06	9.30	-30.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020279656	0	54	-1.0	-41.77	417.85	8.44	-33.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020279656	1	54	-1.0	-41.79	417.91	8.46	-33.33
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020279657	0	53	-1.0	-41.50	421.52	10.84	-30.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020279657	1	53	-1.0	-41.48	421.57	10.86	-30.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020279658	0	50	-1.0	-45.17	397.09	10.70	-34.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020279658	1	50	-1.0	-45.12	397.07	10.69	-34.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020279659	0	48	-1.0	-49.28	394.28	6.29	-42.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020279659	1	48	-1.0	-49.27	394.34	6.31	-42.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020279660	0	47	-1.0	-42.22	388.72	6.98	-35.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020279660	1	47	-1.0	-42.20	388.78	7.00	-35.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020279661	0	44	-1.0	-44.79	361.42	6.43	-38.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020279661	1	44	-1.0	-44.79	361.46	6.44	-38.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020279662	0	44	-1.0	-45.58	365.92	5.16	-40.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020279662	1	44	-1.0	-45.54	365.97	5.17	-40.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020279663	0	41	-1.0	-50.20	345.29	4.42	-45.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020279663	1	41	-1.0	-50.23	345.32	4.45	-45.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OCC)C1	REAL300020279664	0	53	-1.0	-45.44	422.42	8.16	-37.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OCC)C1	REAL300020279664	1	53	-1.0	-45.44	422.47	8.17	-37.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OCC)C1	REAL300020279665	0	50	-1.0	-49.38	398.56	7.64	-41.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OCC)C1	REAL300020279665	1	50	-1.0	-49.43	398.70	7.65	-41.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020279666	0	50	-1.0	-44.52	423.40	10.06	-34.46
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020279666	1	50	-1.0	-44.48	423.46	10.08	-34.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020279667	0	47	-1.0	-46.84	405.36	9.44	-37.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020279667	1	47	-1.0	-46.90	405.33	9.41	-37.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020279668	0	43	-1.0	-42.81	366.10	9.41	-33.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020279668	1	43	-1.0	-42.82	366.04	9.40	-33.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020279669	0	40	-1.0	-44.91	345.72	8.61	-36.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020279669	1	40	-1.0	-44.91	345.66	8.58	-36.33
C=C(C)CN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020279670	0	47	-1.0	-44.98	401.31	11.41	-33.57
C=C(C)CN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020279670	1	47	-1.0	-45.02	401.22	11.42	-33.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020279671	0	50	-1.0	-41.38	376.59	5.32	-36.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020279671	1	50	-1.0	-41.37	376.65	5.33	-36.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020279672	0	47	-1.0	-44.71	359.86	4.40	-40.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020279672	1	47	-1.0	-44.68	359.81	4.37	-40.31
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1C	REAL300020279673	0	54	-1.0	-42.48	412.76	7.20	-35.28
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1C	REAL300020279673	1	54	-1.0	-42.42	412.97	7.19	-35.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020279674	0	56	-1.0	-48.95	422.63	9.58	-39.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020279674	1	56	-1.0	-48.97	422.68	9.61	-39.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020279675	0	48	-1.0	-42.49	393.31	7.93	-34.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020279675	1	48	-1.0	-42.51	393.36	7.94	-34.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020279676	0	45	-1.0	-47.16	364.34	8.04	-39.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020279676	1	45	-1.0	-47.13	364.30	8.02	-39.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020279677	0	47	-1.0	-45.11	365.60	11.42	-33.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020279677	1	47	-1.0	-45.03	365.54	11.40	-33.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020279678	0	44	-1.0	-47.47	347.35	10.79	-36.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020279678	1	44	-1.0	-47.48	347.28	10.78	-36.70
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020279679	0	51	-1.0	-46.56	399.03	13.34	-33.22
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020279679	1	51	-1.0	-46.58	399.02	13.33	-33.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020279680	0	46	-2.0	-77.80	370.83	3.40	-74.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020279680	1	47	-1.0	-41.11	392.29	4.75	-36.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020279680	1	46	-2.0	-77.80	370.88	3.43	-74.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020279680	1	47	-1.0	-41.09	392.34	4.78	-36.31
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020279681	0	50	-1.0	-42.05	398.70	10.17	-31.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020279681	1	50	-1.0	-42.07	398.76	10.19	-31.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020279682	0	47	-1.0	-45.28	378.92	9.23	-36.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020279682	1	47	-1.0	-45.25	378.87	9.21	-36.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020279683	0	55	-1.0	-49.63	416.72	8.98	-40.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020279683	1	55	-1.0	-49.67	416.78	9.00	-40.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020279684	0	61	0.0	-68.24	448.18	9.28	-58.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020279684	1	61	0.0	-68.24	448.23	9.29	-58.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020279685	0	53	-1.0	-47.22	411.93	4.68	-42.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020279685	1	53	-1.0	-47.22	411.98	4.70	-42.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020279685	1	54	0.0	-70.54	433.27	7.14	-63.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020279686	0	44	-1.0	-39.78	345.17	6.90	-32.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020279686	1	44	-1.0	-39.75	345.22	6.92	-32.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020279687	0	41	-1.0	-42.43	323.79	6.15	-36.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020279687	1	41	-1.0	-42.45	323.74	6.13	-36.32
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS[C@H](C)C1	REAL300020279688	0	48	-1.0	-41.52	387.39	9.87	-31.65
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS[C@H](C)C1	REAL300020279688	1	48	-1.0	-41.54	387.38	9.87	-31.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020279689	0	46	-1.0	-40.74	370.88	6.02	-34.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020279689	1	46	-1.0	-40.68	370.95	6.03	-34.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020279690	0	43	-1.0	-44.71	355.34	5.43	-39.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020279690	1	43	-1.0	-44.74	355.29	5.41	-39.33
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020279691	0	50	-1.0	-41.17	407.51	8.25	-32.92
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020279691	1	50	-1.0	-41.17	407.54	8.22	-32.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020279692	0	51	-1.0	-44.33	382.19	5.64	-38.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020279692	1	51	-1.0	-44.27	382.24	5.65	-38.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020279692	1	52	0.0	-47.77	399.18	7.36	-40.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020279693	0	48	-1.0	-45.19	362.93	4.51	-40.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020279693	1	48	-1.0	-45.23	362.99	4.52	-40.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020279693	1	49	0.0	-58.29	384.11	5.93	-52.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCOCC1	REAL300020279694	0	54	-1.0	-42.30	415.63	5.36	-36.94
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCOCC1	REAL300020279694	1	54	-1.0	-42.34	415.69	5.38	-36.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCOCC1	REAL300020279695	0	51	-1.0	-44.09	388.20	5.38	-38.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCOCC1	REAL300020279695	1	51	-1.0	-44.07	388.25	5.41	-38.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C=CC1C2	REAL300020279696	0	42	-1.0	-41.56	331.46	7.15	-34.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C=CC1C2	REAL300020279696	1	42	-1.0	-41.54	331.51	7.16	-34.38
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020279697	0	46	-1.0	-42.59	368.87	9.25	-33.34
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020279697	1	46	-1.0	-42.59	368.90	9.25	-33.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020279698	0	54	-1.0	-41.46	412.38	8.05	-33.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020279698	1	54	-1.0	-41.45	412.44	8.06	-33.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020279699	0	51	-1.0	-45.57	381.31	7.84	-37.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020279699	1	51	-1.0	-45.64	381.37	7.86	-37.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020279700	0	51	-1.0	-43.02	392.22	10.14	-32.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020279700	1	51	-1.0	-42.99	392.28	10.16	-32.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020279701	0	48	-1.0	-44.96	381.23	9.66	-35.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020279701	1	48	-1.0	-45.04	381.17	9.64	-35.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020279702	0	53	-1.0	-43.86	423.73	6.89	-36.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020279702	1	53	-1.0	-43.80	423.79	6.92	-36.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020279703	0	52	-1.0	-43.13	398.99	6.46	-36.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020279703	1	52	-1.0	-43.11	399.05	6.47	-36.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020279704	0	49	-1.0	-45.91	380.46	5.72	-40.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020279704	1	49	-1.0	-45.95	380.53	5.75	-40.20
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020279705	0	48	-1.0	-40.87	360.59	7.92	-32.95
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020279705	1	48	-1.0	-40.89	360.65	7.93	-32.96
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020279706	0	45	-1.0	-43.51	337.91	9.14	-34.37
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020279706	1	45	-1.0	-43.50	337.86	9.13	-34.37
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(=C)C)C1	REAL300020279707	0	52	-1.0	-42.61	402.56	10.62	-31.99
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(=C)C)C1	REAL300020279707	1	52	-1.0	-42.58	402.18	10.63	-31.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020279708	0	54	-1.0	-41.53	423.89	5.71	-35.82
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020279708	1	54	-1.0	-41.57	423.95	5.72	-35.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020279709	0	51	-1.0	-44.75	400.07	5.23	-39.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020279709	1	51	-1.0	-44.75	400.01	5.21	-39.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020279710	0	57	-1.0	-44.03	411.80	9.23	-34.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020279710	1	57	-1.0	-44.07	411.86	9.25	-34.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020279711	0	42	-1.0	-40.02	365.24	6.67	-33.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020279711	1	42	-1.0	-40.06	365.28	6.68	-33.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020279712	0	39	-1.0	-41.46	345.05	6.30	-35.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020279712	1	39	-1.0	-41.48	344.99	6.28	-35.20
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=NS1	REAL300020279713	0	46	-1.0	-42.93	395.49	8.98	-33.95
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=NS1	REAL300020279713	1	46	-1.0	-42.95	395.51	8.97	-33.98
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020279714	0	43	-1.0	-40.13	347.07	7.59	-32.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020279714	1	43	-1.0	-40.12	347.12	7.61	-32.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020279715	0	40	-1.0	-42.83	324.25	7.25	-35.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020279715	1	40	-1.0	-42.83	324.20	7.24	-35.59
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020279716	0	47	-1.0	-41.74	383.70	9.35	-32.39
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020279716	1	47	-1.0	-41.78	383.69	9.35	-32.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020279717	0	47	-1.0	-40.88	380.98	6.39	-34.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020279717	1	47	-1.0	-40.91	381.03	6.41	-34.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020279718	0	44	-1.0	-41.86	366.02	5.51	-36.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020279718	1	44	-1.0	-41.84	366.08	5.53	-36.31
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020279719	0	46	-1.0	-39.68	371.86	8.25	-31.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020279719	1	46	-1.0	-39.66	371.90	8.26	-31.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020279720	0	43	-1.0	-48.03	332.21	7.01	-41.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020279720	1	43	-1.0	-48.01	332.15	6.99	-41.02
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020279721	0	50	-1.0	-43.71	398.50	10.15	-33.56
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020279721	1	50	-1.0	-43.79	398.55	10.13	-33.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020279722	0	43	-1.0	-39.62	345.72	7.43	-32.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020279722	1	43	-1.0	-39.67	345.77	7.44	-32.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020279723	0	40	-1.0	-40.69	331.68	6.62	-34.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020279723	1	40	-1.0	-40.66	331.62	6.59	-34.07
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020279724	0	47	-1.0	-42.05	372.46	9.46	-32.59
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020279724	1	47	-1.0	-42.04	372.51	9.46	-32.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020279725	0	51	-1.0	-46.56	400.39	6.86	-39.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020279725	1	51	-1.0	-46.53	400.44	6.88	-39.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020279726	0	48	-1.0	-56.70	385.39	6.13	-50.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020279726	1	48	-1.0	-56.68	385.44	6.16	-50.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020279727	0	46	-1.0	-44.44	382.21	7.13	-37.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020279727	1	46	-1.0	-44.48	382.27	7.15	-37.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020279728	0	43	-1.0	-47.27	360.83	6.82	-40.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020279728	1	43	-1.0	-47.26	360.84	6.80	-40.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020279729	0	56	-1.0	-40.46	414.11	10.27	-30.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020279729	1	56	-1.0	-40.47	414.19	10.29	-30.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020279730	0	53	-1.0	-45.78	388.78	10.13	-35.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020279730	1	53	-1.0	-45.82	388.71	10.13	-35.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020279731	0	47	-1.0	-40.65	391.96	9.82	-30.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020279731	1	47	-1.0	-40.67	392.02	9.83	-30.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020279732	0	44	-1.0	-43.02	367.84	9.18	-33.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020279732	1	44	-1.0	-42.99	367.79	9.16	-33.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020279733	0	53	-1.0	-40.46	405.51	9.70	-30.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020279733	1	53	-1.0	-40.44	405.57	9.71	-30.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020279734	0	50	-1.0	-44.30	383.74	9.94	-34.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020279734	1	50	-1.0	-44.27	383.69	9.92	-34.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020279735	0	56	0.0	-64.19	420.92	10.39	-53.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020279735	1	55	-1.0	-44.19	417.14	9.01	-35.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020279735	1	55	-1.0	-44.23	417.18	9.02	-35.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1OC	REAL300020279736	0	51	-1.0	-41.73	386.39	5.04	-36.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1OC	REAL300020279736	1	51	-1.0	-41.73	386.45	5.06	-36.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1OC	REAL300020279737	0	48	-1.0	-45.69	360.27	3.94	-41.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1OC	REAL300020279737	1	48	-1.0	-45.76	360.22	3.92	-41.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020279738	0	62	0.0	-64.21	434.32	9.76	-54.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020279738	1	62	0.0	-64.22	434.38	9.79	-54.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020279739	0	52	0.0	-69.91	371.66	7.48	-62.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020279739	1	52	0.0	-66.65	383.49	8.88	-57.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020279739	1	51	-1.0	-41.18	382.38	5.96	-35.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020279739	1	51	-1.0	-41.20	382.44	5.98	-35.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020279740	0	49	0.0	-72.16	341.29	6.86	-65.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020279740	1	49	0.0	-67.68	360.05	8.21	-59.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020279740	1	49	0.0	-72.15	341.23	6.85	-65.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020279740	1	49	0.0	-67.71	360.00	8.20	-59.51
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020279741	0	56	0.0	-74.56	399.91	9.33	-65.23
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020279741	1	56	0.0	-70.37	412.31	10.82	-59.55
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020279741	1	55	-1.0	-41.32	421.39	8.16	-33.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020279742	0	53	-1.0	-41.83	413.92	8.51	-33.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020279742	1	53	-1.0	-41.82	413.97	8.52	-33.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020279743	0	50	-1.0	-45.41	390.42	8.24	-37.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020279743	1	50	-1.0	-45.41	390.47	8.25	-37.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCCCCCCC	REAL300020279744	0	63	-1.0	-41.39	494.32	12.20	-29.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCCCCCCC	REAL300020279744	1	63	-1.0	-41.41	494.38	12.22	-29.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020279745	0	50	-1.0	-47.06	411.10	9.11	-37.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020279745	1	50	-1.0	-47.06	411.05	9.09	-37.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020279746	0	48	-1.0	-49.89	390.32	6.07	-43.82
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020279746	1	48	-1.0	-49.93	390.38	6.08	-43.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020279747	0	45	-1.0	-58.16	377.87	5.75	-52.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020279747	1	45	-1.0	-58.14	377.81	5.74	-52.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020279748	0	47	-1.0	-40.60	386.21	8.82	-31.78
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020279748	1	47	-1.0	-40.63	386.26	8.84	-31.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020279749	0	44	-1.0	-42.47	367.63	8.31	-34.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020279749	1	44	-1.0	-42.47	367.56	8.28	-34.19
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020279750	0	55	-1.0	-46.72	437.99	9.51	-37.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020279750	1	55	-1.0	-46.77	438.04	9.52	-37.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020279751	0	52	-1.0	-51.56	408.51	9.09	-42.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020279751	1	52	-1.0	-51.55	408.59	9.11	-42.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020279752	0	51	-1.0	-55.14	396.21	5.72	-49.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020279752	1	51	-1.0	-55.13	396.27	5.74	-49.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020279753	0	48	-1.0	-52.28	376.23	5.03	-47.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020279753	1	48	-1.0	-52.28	376.29	5.07	-47.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020279754	0	55	-1.0	-40.70	422.86	8.64	-32.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020279754	1	55	-1.0	-40.69	422.92	8.65	-32.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020279755	0	52	-1.0	-42.23	408.19	7.95	-34.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020279755	1	52	-1.0	-42.23	408.12	7.93	-34.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020279756	0	44	-1.0	-43.76	351.16	3.93	-39.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020279756	1	44	-1.0	-43.72	351.21	3.94	-39.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020279757	0	41	-1.0	-45.32	330.43	3.58	-41.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020279757	1	41	-1.0	-45.33	330.38	3.57	-41.76
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020279758	0	48	-1.0	-45.59	391.95	5.91	-39.68
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020279758	1	48	-1.0	-45.48	391.97	5.90	-39.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020279759	0	45	-1.0	-41.14	354.27	5.60	-35.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020279759	1	45	-1.0	-41.18	354.33	5.61	-35.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020279760	0	42	-1.0	-44.18	328.64	5.13	-39.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020279760	1	42	-1.0	-44.16	328.58	5.11	-39.05
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020279761	0	49	-1.0	-42.58	388.47	7.67	-34.91
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020279761	1	49	-1.0	-42.53	388.84	7.69	-34.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020279762	0	53	-1.0	-42.18	424.73	10.94	-31.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020279762	1	53	-1.0	-42.24	424.79	10.96	-31.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020279763	0	50	-1.0	-43.23	406.52	9.95	-33.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020279763	1	50	-1.0	-43.21	406.58	9.97	-33.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020279764	0	51	-1.0	-47.12	412.55	6.86	-40.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020279764	1	51	-1.0	-47.14	412.61	6.87	-40.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020279765	0	48	-1.0	-47.46	388.52	6.03	-41.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020279765	1	48	-1.0	-47.51	388.57	6.06	-41.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020279766	0	51	-1.0	-51.45	401.85	5.33	-46.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020279766	1	51	-1.0	-51.45	401.91	5.35	-46.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020279767	0	48	-1.0	-53.87	378.52	4.47	-49.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020279767	1	48	-1.0	-53.88	378.46	4.44	-49.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020279768	0	50	-1.0	-46.64	420.36	5.03	-41.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020279768	1	50	-1.0	-46.66	420.42	5.06	-41.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020279769	0	51	-1.0	-41.59	409.93	9.00	-32.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020279769	1	51	-1.0	-41.57	409.99	9.02	-32.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020279770	0	48	-1.0	-42.00	393.06	8.41	-33.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020279770	1	48	-1.0	-42.01	393.11	8.43	-33.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020279771	0	56	-1.0	-44.67	445.55	8.77	-35.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020279771	1	56	-1.0	-47.72	422.28	7.50	-40.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020279771	1	56	-1.0	-44.70	445.61	8.80	-35.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020279771	1	56	-1.0	-47.71	422.34	7.52	-40.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020279772	0	53	-1.0	-44.89	398.38	5.03	-39.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020279772	1	53	-1.0	-44.93	398.31	5.04	-39.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020279773	0	51	-1.0	-47.50	412.43	6.57	-40.93
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020279773	1	51	-1.0	-47.48	412.48	6.59	-40.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020279774	0	48	-1.0	-48.71	389.62	5.81	-42.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020279774	1	48	-1.0	-48.75	389.68	5.83	-42.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020279775	0	46	-1.0	-40.30	374.34	7.91	-32.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020279775	1	46	-1.0	-40.30	374.40	7.93	-32.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020279776	0	43	-1.0	-44.70	346.91	7.61	-37.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020279776	1	43	-1.0	-44.70	346.94	7.62	-37.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020279777	0	50	-1.0	-42.21	392.86	9.04	-33.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020279777	1	50	-1.0	-42.21	392.92	9.06	-33.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020279778	0	47	-1.0	-44.43	350.31	8.44	-35.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020279778	1	47	-1.0	-44.46	350.25	8.42	-36.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020279779	0	49	-1.0	-45.61	409.00	6.40	-39.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020279779	1	49	-1.0	-45.63	408.95	6.37	-39.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OCC)C2(COC2)C1	REAL300020279780	0	51	-1.0	-48.91	410.63	6.24	-42.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OCC)C2(COC2)C1	REAL300020279780	1	51	-1.0	-48.84	410.69	6.26	-42.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020279781	0	50	-1.0	-50.68	401.85	5.03	-45.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020279781	1	50	-1.0	-50.75	401.91	5.04	-45.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020279782	0	47	-1.0	-53.99	377.64	4.79	-49.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020279782	1	47	-1.0	-54.02	377.70	4.81	-49.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020279783	0	49	-1.0	-42.39	407.16	7.71	-34.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020279783	1	49	-1.0	-42.42	407.22	7.73	-34.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020279784	0	46	-1.0	-45.67	366.51	6.01	-39.66
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020279784	1	46	-1.0	-45.65	366.57	6.04	-39.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020279785	0	50	-1.0	-47.83	399.49	4.28	-43.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020279785	1	50	-1.0	-47.82	399.55	4.30	-43.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020279786	0	49	-1.0	-53.16	400.53	3.07	-50.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020279786	1	49	-1.0	-53.20	400.58	3.09	-50.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020279787	0	46	-1.0	-57.15	372.76	2.54	-54.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020279787	1	46	-1.0	-57.10	372.80	2.56	-54.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020279788	0	44	-1.0	-41.03	340.99	4.86	-36.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020279788	1	44	-1.0	-41.01	341.06	4.87	-36.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020279789	0	41	-1.0	-45.73	338.02	5.63	-40.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020279789	1	41	-1.0	-45.71	338.10	5.64	-40.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020279790	0	47	-1.0	-50.13	385.70	4.26	-45.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020279790	1	47	-1.0	-50.10	385.76	4.27	-45.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020279791	0	44	-1.0	-54.47	357.99	4.10	-50.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020279791	1	44	-1.0	-54.50	358.14	4.13	-50.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020279792	0	62	0.0	-67.11	438.37	10.19	-56.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020279792	1	62	0.0	-67.07	438.43	10.20	-56.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020279793	0	59	0.0	-67.36	418.73	9.81	-57.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020279793	1	59	0.0	-67.37	418.77	9.83	-57.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020279794	0	48	-1.0	-42.87	385.30	8.18	-34.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020279794	1	48	-1.0	-42.91	385.36	8.20	-34.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020279795	0	45	-1.0	-46.95	358.19	8.24	-38.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020279795	1	45	-1.0	-46.95	358.16	8.21	-38.74
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020279796	0	52	-1.0	-44.59	420.45	10.02	-34.57
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020279796	1	52	-1.0	-44.55	420.47	10.00	-34.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020279797	0	49	-1.0	-39.65	408.94	10.28	-29.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020279797	1	49	-1.0	-39.65	409.00	10.29	-29.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020279798	0	46	-1.0	-43.58	383.31	9.84	-33.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020279798	1	46	-1.0	-43.52	383.25	9.82	-33.70
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020279799	0	48	-1.0	-48.24	386.98	7.89	-40.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020279799	1	48	-1.0	-48.22	387.04	7.90	-40.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020279800	0	45	-1.0	-51.21	349.61	6.77	-44.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020279800	1	45	-1.0	-51.18	349.55	6.74	-44.44
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020279801	0	52	-1.0	-49.38	423.25	10.08	-39.30
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020279801	1	52	-1.0	-49.29	423.27	10.06	-39.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020279802	0	53	-1.0	-44.30	398.11	5.91	-38.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020279802	1	53	-1.0	-44.31	398.18	5.93	-38.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020279803	0	50	-1.0	-47.45	378.73	5.59	-41.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020279803	1	50	-1.0	-47.43	378.68	5.58	-41.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020279804	0	54	-1.0	-40.75	391.44	10.55	-30.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020279804	1	54	-1.0	-40.77	391.49	10.56	-30.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020279805	0	51	-1.0	-41.75	371.83	9.78	-31.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020279805	1	51	-1.0	-41.76	371.78	9.75	-32.01
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020279806	0	58	-1.0	-42.35	418.27	12.45	-29.90
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020279806	1	58	-1.0	-42.33	418.31	12.44	-29.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020279807	0	48	-1.0	-42.52	384.97	2.89	-39.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020279807	1	48	-1.0	-42.53	385.03	2.90	-39.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020279808	0	45	-1.0	-47.23	358.13	2.90	-44.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020279808	1	45	-1.0	-47.23	358.09	2.88	-44.35
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCO)C1	REAL300020279809	0	52	-1.0	-44.29	412.33	5.78	-38.51
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCO)C1	REAL300020279809	1	52	-1.0	-44.25	412.37	5.76	-38.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020279810	0	51	-1.0	-43.21	399.85	3.15	-40.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020279810	1	51	-1.0	-43.20	399.90	3.17	-40.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020279811	0	48	-1.0	-45.44	358.89	2.16	-43.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020279811	1	48	-1.0	-45.48	358.95	2.19	-43.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020279812	0	51	-1.0	-48.56	412.93	7.32	-41.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020279812	1	51	-1.0	-48.54	412.87	7.30	-41.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020279813	0	45	-1.0	-43.49	365.15	7.60	-35.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020279813	1	45	-1.0	-43.50	365.21	7.61	-35.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020279814	0	42	-1.0	-45.54	342.84	7.47	-38.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020279814	1	42	-1.0	-45.52	342.78	7.44	-38.08
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020279815	0	49	-1.0	-45.41	392.77	9.45	-35.96
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020279815	1	49	-1.0	-45.35	392.81	9.45	-35.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020279816	0	53	-1.0	-45.02	424.18	8.60	-36.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020279816	1	53	-1.0	-44.99	424.24	8.62	-36.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020279817	0	50	-1.0	-48.96	397.04	8.25	-40.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020279817	1	50	-1.0	-48.95	397.10	8.28	-40.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020279818	0	44	-1.0	-44.60	365.01	7.99	-36.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020279818	1	44	-1.0	-44.58	365.10	8.00	-36.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020279819	0	41	-1.0	-45.78	342.76	6.98	-38.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020279819	1	41	-1.0	-45.77	342.70	6.95	-38.82
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020279820	0	48	-1.0	-46.66	386.68	10.29	-36.37
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020279820	1	48	-1.0	-46.67	386.71	10.29	-36.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020279821	0	51	-1.0	-40.68	402.73	7.63	-33.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020279821	1	51	-1.0	-40.71	402.78	7.64	-33.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020279822	0	48	-1.0	-49.84	361.03	5.70	-44.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020279822	1	48	-1.0	-49.82	360.97	5.67	-44.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020279823	0	44	-1.0	-45.59	367.41	7.78	-37.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020279823	1	44	-1.0	-45.57	367.47	7.80	-37.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020279824	0	41	-1.0	-49.16	342.51	7.48	-41.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020279824	1	41	-1.0	-49.16	342.58	7.50	-41.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020279825	0	53	-1.0	-41.82	416.08	11.11	-30.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020279825	1	53	-1.0	-41.84	416.14	11.12	-30.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020279826	0	50	-1.0	-47.35	366.81	9.62	-37.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020279826	1	50	-1.0	-47.35	366.76	9.60	-37.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020279827	0	47	-1.0	-46.90	382.42	9.53	-37.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020279827	1	47	-1.0	-46.93	382.47	9.54	-37.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020279828	0	48	-1.0	-43.42	391.74	4.54	-38.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020279828	1	48	-1.0	-43.43	391.80	4.56	-38.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020279829	0	45	-1.0	-45.84	364.58	4.36	-41.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020279829	1	45	-1.0	-45.81	364.53	4.35	-41.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020279830	0	45	-1.0	-40.30	354.48	5.87	-34.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020279830	1	45	-1.0	-40.33	354.54	5.89	-34.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020279831	0	42	-1.0	-48.57	337.42	5.14	-43.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020279831	1	42	-1.0	-48.58	337.36	5.11	-43.47
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020279832	0	49	-1.0	-45.81	381.46	7.86	-37.95
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020279832	1	49	-1.0	-45.81	381.48	7.85	-37.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020279833	0	47	-1.0	-43.70	376.90	8.38	-35.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020279833	1	47	-1.0	-43.72	376.96	8.39	-35.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020279834	0	44	-1.0	-46.93	351.35	7.55	-39.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020279834	1	44	-1.0	-47.00	351.29	7.53	-39.47
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020279835	0	51	-1.0	-44.81	399.79	10.79	-34.02
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020279835	1	51	-1.0	-44.78	399.83	10.79	-33.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](CC)[C@@](F)(C(=O)OCC)C1	REAL300020279836	0	52	-1.0	-44.89	391.74	7.41	-37.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](CC)[C@@](F)(C(=O)OCC)C1	REAL300020279836	1	52	-1.0	-44.88	391.78	7.41	-37.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020279837	0	52	-1.0	-45.32	409.25	8.45	-36.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020279837	1	52	-1.0	-45.31	409.17	8.42	-36.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)C=C1C	REAL300020279838	0	56	-1.0	-41.59	434.97	9.15	-32.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)C=C1C	REAL300020279838	1	56	-1.0	-41.61	434.91	9.12	-32.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020279839	0	44	-1.0	-45.15	362.06	8.21	-36.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020279839	1	44	-1.0	-45.17	362.13	8.24	-36.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020279840	0	45	-1.0	-41.09	364.25	7.85	-33.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020279840	1	45	-1.0	-41.06	364.31	7.86	-33.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020279841	0	42	-1.0	-44.00	338.89	7.39	-36.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020279841	1	42	-1.0	-44.02	338.83	7.36	-36.66
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020279842	0	49	-1.0	-43.26	391.51	9.85	-33.41
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020279842	1	49	-1.0	-43.26	391.54	9.84	-33.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020279843	0	48	-1.0	-46.21	389.03	5.33	-40.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020279843	1	48	-1.0	-46.18	389.09	5.34	-40.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020279844	0	45	-1.0	-46.94	343.04	4.02	-42.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020279844	1	45	-1.0	-46.89	342.98	4.00	-42.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	REAL300020279845	0	53	-1.0	-43.57	416.06	9.40	-34.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	REAL300020279845	1	53	-1.0	-43.53	416.12	9.41	-34.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	REAL300020279846	0	50	-1.0	-48.13	399.27	8.77	-39.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	REAL300020279846	1	50	-1.0	-48.12	399.32	8.80	-39.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020279847	0	44	-1.0	-40.01	362.36	7.25	-32.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020279847	1	44	-1.0	-39.99	362.41	7.27	-32.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020279848	0	41	-1.0	-45.09	338.81	6.67	-38.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020279848	1	41	-1.0	-45.14	338.87	6.69	-38.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020279849	0	52	-1.0	-44.83	430.79	8.42	-36.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020279849	1	52	-1.0	-44.80	430.85	8.43	-36.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020279850	0	49	-1.0	-46.92	410.53	7.69	-39.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020279850	1	49	-1.0	-46.93	410.58	7.71	-39.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020279851	0	56	-1.0	-44.14	436.47	12.55	-31.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020279851	1	56	-1.0	-44.16	436.52	12.58	-31.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020279852	0	56	-1.0	-47.30	404.40	9.16	-38.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020279852	1	56	-1.0	-47.30	404.34	9.14	-38.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020279853	0	46	-1.0	-42.65	364.43	7.54	-35.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020279853	1	46	-1.0	-42.63	364.49	7.56	-35.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020279854	0	43	-1.0	-45.31	336.30	7.74	-37.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020279854	1	43	-1.0	-45.29	336.23	7.72	-37.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020279855	0	52	-1.0	-46.98	413.82	5.59	-41.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020279855	1	52	-1.0	-46.96	413.88	5.60	-41.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020279856	0	49	-1.0	-45.16	395.40	6.18	-38.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020279856	1	49	-1.0	-45.14	395.35	6.17	-38.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020279857	0	47	-1.0	-39.77	371.99	6.35	-33.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020279857	1	47	-1.0	-39.75	372.06	6.36	-33.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020279858	0	44	-1.0	-42.53	346.80	6.78	-35.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020279858	1	44	-1.0	-42.51	346.77	6.75	-35.76
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020279859	0	51	-1.0	-41.16	409.29	8.57	-32.59
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020279859	1	51	-1.0	-41.12	409.31	8.55	-32.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020279860	0	54	-1.0	-39.97	426.82	10.17	-29.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020279860	1	54	-1.0	-39.95	426.88	10.19	-29.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020279861	0	51	-1.0	-41.58	404.45	9.09	-32.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020279861	1	51	-1.0	-41.54	404.53	9.10	-32.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020279862	0	46	-1.0	-42.61	372.01	5.59	-37.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020279862	1	46	-1.0	-42.64	372.06	5.61	-37.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020279863	0	43	-1.0	-46.17	347.38	5.85	-40.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020279863	1	43	-1.0	-46.10	347.39	5.82	-40.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020279864	0	50	-1.0	-41.39	395.54	9.17	-32.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020279864	1	50	-1.0	-41.43	395.60	9.19	-32.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020279865	0	47	-1.0	-42.04	382.04	8.42	-33.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020279865	1	47	-1.0	-42.05	382.10	8.44	-33.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)C(C)=C1	REAL300020279866	0	56	-1.0	-45.07	441.98	8.55	-36.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)C(C)=C1	REAL300020279866	1	56	-1.0	-45.11	441.92	8.52	-36.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020279867	0	52	-1.0	-50.88	409.39	4.74	-46.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020279867	1	52	-1.0	-50.88	409.45	4.77	-46.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020279868	0	52	-1.0	-45.58	419.78	8.47	-37.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020279868	1	52	-1.0	-45.57	419.84	8.48	-37.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020279869	0	49	-1.0	-47.15	397.99	7.68	-39.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020279869	1	49	-1.0	-47.17	398.05	7.70	-39.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC(C)=CS2)C1	REAL300020279870	0	52	-1.0	-47.52	418.69	8.96	-38.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC(C)=CS2)C1	REAL300020279870	1	52	-1.0	-47.52	418.76	8.97	-38.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020279871	0	54	-1.0	-41.93	431.28	8.44	-33.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020279871	1	54	-1.0	-41.96	431.34	8.46	-33.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020279872	0	51	-1.0	-43.86	409.69	7.66	-36.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020279872	1	51	-1.0	-43.83	409.74	7.68	-36.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020279873	0	59	0.0	-68.09	425.32	9.62	-58.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020279873	1	59	0.0	-68.09	425.37	9.64	-58.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020279874	0	56	0.0	-70.81	396.03	8.58	-62.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020279874	1	56	0.0	-70.89	396.10	8.59	-62.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020279875	0	52	-1.0	-51.27	406.84	5.43	-45.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020279875	1	52	-1.0	-51.32	406.93	5.45	-45.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020279876	0	52	-1.0	-40.55	396.29	8.91	-31.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020279876	1	52	-1.0	-40.55	396.35	8.92	-31.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020279877	0	49	-1.0	-43.87	369.48	8.40	-35.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020279877	1	49	-1.0	-43.82	369.44	8.39	-35.43
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020279878	0	56	-1.0	-42.04	420.66	10.74	-31.30
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020279878	1	56	-1.0	-42.00	420.68	10.73	-31.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020279879	0	55	-1.0	-41.57	437.93	9.61	-31.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020279879	1	55	-1.0	-41.56	437.99	9.63	-31.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020279880	0	52	-1.0	-45.27	410.94	10.00	-35.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020279880	1	52	-1.0	-45.27	410.97	10.03	-35.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020279881	0	53	-1.0	-45.62	427.01	8.65	-36.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020279881	1	53	-1.0	-45.65	427.05	8.67	-36.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020279882	0	50	-1.0	-46.85	407.19	7.88	-38.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020279882	1	50	-1.0	-46.80	407.13	7.86	-38.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020279883	0	52	-1.0	-40.83	427.07	8.86	-31.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020279883	1	52	-1.0	-40.83	427.13	8.87	-31.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020279884	0	49	-1.0	-43.28	409.79	8.30	-34.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020279884	1	49	-1.0	-43.26	409.84	8.33	-34.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020279885	0	55	-1.0	-44.94	437.43	2.29	-42.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020279885	1	55	-1.0	-44.95	437.49	2.31	-42.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020279886	0	52	-1.0	-47.59	420.76	1.64	-45.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020279886	1	52	-1.0	-47.57	420.82	1.66	-45.91
C=CCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020279887	0	51	-1.0	-42.40	403.56	6.28	-36.12
C=CCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020279887	1	51	-1.0	-42.38	403.62	6.29	-36.09
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020279888	0	48	-1.0	-45.58	377.37	5.70	-39.88
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020279888	1	48	-1.0	-45.59	377.28	5.68	-39.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCF	REAL300020279889	0	42	-1.0	-40.47	345.93	7.01	-33.46
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCF	REAL300020279889	1	42	-1.0	-40.48	345.98	7.02	-33.46
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCF	REAL300020279890	0	46	-1.0	-42.33	373.72	9.04	-33.29
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCF	REAL300020279890	1	46	-1.0	-42.28	373.76	9.03	-33.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020279891	0	50	-1.0	-51.65	420.29	7.12	-44.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020279891	1	50	-1.0	-51.68	420.24	7.10	-44.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020279892	0	53	-1.0	-41.07	421.32	11.44	-29.63
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020279892	1	53	-1.0	-41.05	421.36	11.46	-29.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020279893	0	50	-1.0	-41.83	399.33	9.16	-32.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020279893	1	50	-1.0	-41.88	399.27	9.13	-32.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020279894	0	50	-1.0	-45.86	403.27	10.05	-35.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020279894	1	50	-1.0	-45.82	403.22	10.03	-35.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020279895	0	47	-1.0	-48.73	379.26	9.29	-39.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020279895	1	47	-1.0	-48.68	379.20	9.26	-39.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020279896	0	47	-1.0	-38.94	391.09	6.86	-32.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020279896	1	47	-1.0	-38.91	391.14	6.88	-32.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020279897	0	44	-1.0	-41.45	364.60	6.86	-34.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020279897	1	44	-1.0	-41.46	364.68	6.88	-34.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020279898	0	54	-1.0	-44.44	434.05	7.11	-37.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020279898	1	54	-1.0	-44.44	434.11	7.12	-37.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020279899	0	51	-1.0	-46.61	409.34	7.10	-39.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020279899	1	51	-1.0	-46.71	409.44	7.11	-39.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020279900	0	56	-1.0	-40.65	421.43	9.59	-31.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020279900	1	56	-1.0	-40.63	421.49	9.60	-31.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020279901	0	53	-1.0	-45.12	404.57	10.58	-34.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020279901	1	53	-1.0	-45.11	404.52	10.56	-34.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020279902	0	55	-1.0	-46.43	434.55	8.82	-37.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020279902	1	55	-1.0	-46.46	434.61	8.84	-37.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020279903	0	52	-1.0	-48.45	407.78	7.31	-41.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020279903	1	52	-1.0	-48.46	407.72	7.28	-41.18
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020279904	0	53	-1.0	-41.11	431.96	11.17	-29.94
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020279904	1	53	-1.0	-41.18	432.02	11.19	-29.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020279905	0	50	-1.0	-43.13	412.21	10.66	-32.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020279905	1	50	-1.0	-43.11	412.15	10.64	-32.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020279906	0	57	-1.0	-43.48	414.23	7.71	-35.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020279906	1	57	-1.0	-43.52	414.29	7.72	-35.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020279907	0	54	-1.0	-44.91	388.56	6.81	-38.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020279907	1	54	-1.0	-44.94	388.62	6.84	-38.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020279908	0	48	-1.0	-46.15	399.14	1.24	-44.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020279908	1	48	-1.0	-46.10	399.20	1.25	-44.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020279909	0	45	-1.0	-49.08	366.42	1.07	-48.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020279909	1	45	-1.0	-49.10	366.47	1.09	-48.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020279910	0	45	-1.0	-59.45	373.66	3.53	-55.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020279910	1	45	-1.0	-59.48	373.70	3.55	-55.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020279911	0	47	-1.0	-42.94	384.18	8.57	-34.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020279911	1	47	-1.0	-42.98	384.23	8.58	-34.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020279912	0	44	-1.0	-48.09	352.48	8.04	-40.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020279912	1	44	-1.0	-48.06	352.54	8.05	-40.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020279913	0	52	-1.0	-42.31	425.28	8.51	-33.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020279913	1	52	-1.0	-42.34	425.33	8.53	-33.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020279914	0	49	-1.0	-44.25	405.89	7.85	-36.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020279914	1	49	-1.0	-44.25	405.95	7.88	-36.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020279915	0	46	-1.0	-44.78	374.68	6.16	-38.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020279915	1	46	-1.0	-44.75	374.72	6.18	-38.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020279916	0	43	-1.0	-48.31	357.40	5.74	-42.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020279916	1	43	-1.0	-48.26	357.34	5.72	-42.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C2=CC=CS2)=NO1	REAL300020279917	0	45	-1.0	-42.85	395.81	6.54	-36.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C2=CC=CS2)=NO1	REAL300020279917	1	45	-1.0	-42.81	395.76	6.52	-36.29
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C)C1CCCC2=CC=CC=C21	REAL300020279918	0	52	-1.0	-43.53	416.06	10.79	-32.74
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C)C1CCCC2=CC=CC=C21	REAL300020279918	1	52	-1.0	-43.54	416.00	10.76	-32.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020279919	0	49	-1.0	-41.54	401.20	7.77	-33.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020279919	1	49	-1.0	-41.55	401.26	7.79	-33.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020279920	0	46	-1.0	-46.23	390.68	7.55	-38.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020279920	1	46	-1.0	-46.21	390.62	7.53	-38.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020279921	0	47	-1.0	-46.44	385.48	9.42	-37.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020279921	1	47	-1.0	-46.40	385.42	9.40	-37.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020279922	0	44	-1.0	-49.35	361.74	8.61	-40.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020279922	1	44	-1.0	-49.37	361.68	8.58	-40.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020279923	0	44	-1.0	-39.08	357.70	4.46	-34.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020279923	1	44	-1.0	-39.07	357.76	4.47	-34.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020279924	0	41	-1.0	-41.46	352.24	4.39	-37.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020279924	1	41	-1.0	-41.46	352.30	4.41	-37.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020279925	0	53	-1.0	-42.74	410.02	8.44	-34.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020279925	1	53	-1.0	-42.74	409.96	8.42	-34.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020279926	0	50	-1.0	-49.52	397.70	7.68	-41.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020279926	1	50	-1.0	-49.50	397.64	7.66	-41.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020279927	0	50	-1.0	-40.63	355.50	9.66	-30.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020279927	1	50	-1.0	-40.64	355.56	9.68	-30.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020279928	0	47	-1.0	-43.02	344.48	9.14	-33.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020279928	1	47	-1.0	-42.98	344.42	9.11	-33.87
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020279929	0	54	-1.0	-42.31	391.20	11.61	-30.70
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020279929	1	54	-1.0	-42.25	391.11	11.59	-30.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020279930	0	53	0.0	-67.50	402.54	8.31	-59.19
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020279930	1	53	0.0	-68.83	403.95	8.83	-60.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020279930	1	53	0.0	-67.54	402.60	8.33	-59.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020279930	1	53	0.0	-68.86	404.00	8.84	-60.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020279931	0	50	0.0	-63.85	386.48	7.78	-56.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020279931	1	50	0.0	-69.84	382.30	8.20	-61.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020279931	1	50	0.0	-63.81	386.42	7.76	-56.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020279931	1	50	0.0	-69.81	382.24	8.18	-61.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020279932	0	51	-1.0	-43.01	395.52	4.59	-38.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020279932	1	51	-1.0	-43.02	395.58	4.61	-38.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020279933	0	48	-1.0	-45.20	383.83	4.01	-41.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020279933	1	48	-1.0	-45.14	383.77	3.99	-41.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020279934	0	52	-1.0	-40.02	405.50	9.89	-30.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020279934	1	52	-1.0	-40.02	405.56	9.90	-30.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020279935	0	49	-1.0	-43.21	374.94	9.61	-33.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020279935	1	49	-1.0	-43.18	374.88	9.59	-33.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020279936	0	52	-1.0	-44.83	430.79	8.42	-36.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020279936	1	52	-1.0	-44.80	430.85	8.43	-36.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020279937	0	49	-1.0	-46.92	410.53	7.69	-39.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020279937	1	49	-1.0	-46.93	410.58	7.71	-39.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020279938	0	44	-1.0	-41.90	393.53	8.39	-33.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020279938	1	44	-1.0	-41.91	393.58	8.41	-33.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020279939	0	41	-1.0	-43.82	364.25	8.13	-35.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020279939	1	41	-1.0	-43.76	364.20	8.11	-35.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020279940	0	52	-1.0	-49.01	406.16	2.91	-46.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020279940	1	52	-1.0	-49.06	406.23	2.93	-46.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020279941	0	49	-1.0	-47.37	390.28	1.71	-45.66
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020279941	1	49	-1.0	-47.38	390.34	1.74	-45.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020279942	0	44	-1.0	-41.43	341.48	7.55	-33.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020279942	1	44	-1.0	-41.42	341.54	7.57	-33.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020279943	0	41	-1.0	-44.62	320.11	7.24	-37.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020279943	1	41	-1.0	-44.61	320.00	7.23	-37.38
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020279944	0	48	-1.0	-42.60	378.64	9.73	-32.87
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020279944	1	48	-1.0	-42.57	378.69	9.72	-32.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020279945	0	51	-1.0	-52.87	409.58	2.43	-50.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020279945	1	51	-1.0	-52.88	409.64	2.45	-50.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020279946	0	48	-1.0	-55.17	400.47	2.12	-53.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020279946	1	48	-1.0	-55.16	400.53	2.14	-53.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020279947	0	52	-1.0	-40.27	393.41	9.03	-31.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020279947	1	52	-1.0	-40.27	393.47	9.04	-31.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020279948	0	49	-1.0	-44.62	368.36	8.80	-35.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020279948	1	49	-1.0	-44.62	368.31	8.78	-35.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020279949	0	54	-1.0	-41.05	393.32	9.33	-31.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020279949	1	54	-1.0	-41.04	393.37	9.34	-31.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020279950	0	51	-1.0	-44.64	368.66	8.32	-36.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020279950	1	51	-1.0	-44.63	368.60	8.30	-36.33
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020279951	0	47	-1.0	-49.51	381.59	4.08	-45.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020279951	1	47	-1.0	-49.50	381.65	4.10	-45.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020279952	0	44	-1.0	-50.03	365.52	3.44	-46.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020279952	1	44	-1.0	-50.04	365.58	3.47	-46.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020279953	0	54	-1.0	-41.66	421.20	10.40	-31.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020279953	1	54	-1.0	-41.70	421.26	10.42	-31.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020279954	0	51	-1.0	-43.32	414.08	10.14	-33.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020279954	1	51	-1.0	-43.27	414.02	10.12	-33.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020279955	0	49	-1.0	-43.17	386.46	6.15	-37.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020279955	1	49	-1.0	-43.17	386.52	6.16	-37.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020279956	0	46	-1.0	-47.86	362.72	5.60	-42.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020279956	1	46	-1.0	-47.85	362.69	5.59	-42.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020279957	0	46	-1.0	-49.72	368.76	5.33	-44.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020279957	1	46	-1.0	-49.75	368.81	5.34	-44.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020279958	0	43	-1.0	-46.17	350.25	5.78	-40.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020279958	1	43	-1.0	-46.19	350.20	5.76	-40.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020279959	0	49	-1.0	-45.12	393.58	8.01	-37.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020279959	1	49	-1.0	-45.13	393.63	8.02	-37.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020279960	0	46	-1.0	-43.90	382.61	7.42	-36.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020279960	1	46	-1.0	-43.94	382.56	7.40	-36.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020279961	0	49	-1.0	-52.99	379.59	4.00	-48.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020279961	1	49	-1.0	-52.97	379.64	4.02	-48.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020279962	0	46	-1.0	-57.78	373.21	3.60	-54.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020279962	1	46	-1.0	-57.79	373.26	3.63	-54.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020279963	0	52	-1.0	-54.86	409.48	5.43	-49.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020279963	1	52	-1.0	-54.85	409.54	5.45	-49.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020279964	0	49	-1.0	-56.30	381.50	5.30	-51.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020279964	1	49	-1.0	-56.26	381.56	5.33	-50.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020279965	0	52	-1.0	-49.07	411.19	5.77	-43.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020279965	1	52	-1.0	-49.11	411.25	5.79	-43.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020279966	0	49	-1.0	-51.11	389.86	4.98	-46.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020279966	1	49	-1.0	-51.16	389.91	5.00	-46.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020279967	0	56	-1.0	-48.11	435.74	7.88	-40.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020279967	1	56	-1.0	-48.11	435.82	7.90	-40.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020279968	0	51	-1.0	-45.39	420.46	4.85	-40.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020279968	1	51	-1.0	-45.38	420.51	4.86	-40.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020279969	0	48	-1.0	-49.42	389.91	4.42	-45.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020279969	1	48	-1.0	-49.41	389.95	4.44	-44.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020279970	0	48	-1.0	-46.35	377.26	4.32	-42.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020279970	1	48	-1.0	-46.33	377.31	4.34	-41.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020279971	0	45	-1.0	-50.25	357.67	3.54	-46.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020279971	1	45	-1.0	-50.25	357.61	3.51	-46.74
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020279972	0	48	-1.0	-49.01	400.39	2.06	-46.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020279972	1	48	-1.0	-49.00	400.45	2.07	-46.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020279973	0	45	-1.0	-50.59	371.44	2.03	-48.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020279973	1	45	-1.0	-50.57	371.50	2.05	-48.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020279974	0	44	-1.0	-47.26	375.94	7.24	-40.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020279974	1	44	-1.0	-47.24	375.88	7.21	-40.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CSC)CC1	REAL300020279975	0	50	-1.0	-41.19	407.55	9.28	-31.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CSC)CC1	REAL300020279975	1	50	-1.0	-41.22	407.61	9.29	-31.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC)CC1	REAL300020279976	0	47	-1.0	-43.76	388.93	8.26	-35.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC)CC1	REAL300020279976	1	47	-1.0	-43.73	388.99	8.29	-35.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020279977	0	45	-1.0	-55.54	373.96	4.33	-51.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020279977	1	45	-1.0	-55.54	374.01	4.34	-51.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCC)C1	REAL300020279978	0	47	-1.0	-41.60	349.83	5.25	-36.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCC)C1	REAL300020279978	1	47	-1.0	-41.56	349.89	5.27	-36.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCC)C1	REAL300020279979	0	44	-1.0	-46.17	334.28	5.03	-41.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCC)C1	REAL300020279979	1	44	-1.0	-46.17	334.13	5.02	-41.15
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OCC)C1	REAL300020279980	0	51	-1.0	-42.36	393.83	7.60	-34.76
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OCC)C1	REAL300020279980	1	51	-1.0	-42.33	393.91	7.59	-34.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020279981	0	44	-1.0	-42.33	376.37	7.29	-35.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020279981	1	44	-1.0	-42.36	376.42	7.30	-35.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020279982	0	51	-1.0	-42.25	395.99	7.70	-34.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020279982	1	51	-1.0	-42.28	396.05	7.71	-34.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020279983	0	48	-1.0	-49.64	389.13	7.47	-42.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020279983	1	48	-1.0	-49.63	389.07	7.44	-42.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2=CC=CC(OC)=C2)C1	REAL300020279984	0	51	-1.0	-43.95	411.82	8.59	-35.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2=CC=CC(OC)=C2)C1	REAL300020279984	1	51	-1.0	-43.96	411.88	8.62	-35.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC(=O)NC	REAL300020279985	0	49	-1.0	-50.08	394.46	4.27	-45.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC(=O)NC	REAL300020279985	1	49	-1.0	-50.10	394.51	4.29	-45.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC(=O)NC	REAL300020279986	0	46	-1.0	-55.62	368.73	3.88	-51.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC(=O)NC	REAL300020279986	1	46	-1.0	-55.59	368.67	3.87	-51.72
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCC(=O)NC	REAL300020279987	0	53	-1.0	-52.10	426.69	6.31	-45.79
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCC(=O)NC	REAL300020279987	1	53	-1.0	-52.10	426.74	6.29	-45.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020279988	0	56	-1.0	-41.55	421.65	7.96	-33.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020279988	1	56	-1.0	-41.61	421.70	7.96	-33.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020279989	0	53	-1.0	-42.89	417.40	8.80	-34.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020279989	1	53	-1.0	-42.93	417.34	8.78	-34.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020279990	0	50	-1.0	-42.04	396.90	9.21	-32.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020279990	1	50	-1.0	-42.06	396.96	9.22	-32.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020279991	0	47	-1.0	-45.51	373.26	8.65	-36.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020279991	1	47	-1.0	-45.52	373.31	8.67	-36.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020279992	0	44	-1.0	-41.86	367.56	7.60	-34.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020279992	1	44	-1.0	-41.84	367.62	7.62	-34.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020279993	0	41	-1.0	-43.47	346.93	7.58	-35.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020279993	1	41	-1.0	-43.47	346.87	7.55	-35.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020279994	0	56	-1.0	-45.53	430.02	11.67	-33.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020279994	1	56	-1.0	-45.52	430.06	11.70	-33.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020279995	0	54	-1.0	-42.53	427.46	9.89	-32.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020279995	1	54	-1.0	-42.52	427.52	9.90	-32.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020279996	0	51	-1.0	-46.23	385.44	7.99	-38.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020279996	1	51	-1.0	-46.24	385.39	7.96	-38.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020279997	0	47	-1.0	-45.32	389.43	9.27	-36.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020279997	1	47	-1.0	-45.37	389.48	9.28	-36.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020279998	0	44	-1.0	-44.57	366.93	9.15	-35.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020279998	1	44	-1.0	-44.56	366.88	9.13	-35.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020279999	0	55	-1.0	-41.71	428.97	7.44	-34.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020279999	1	55	-1.0	-41.71	429.03	7.45	-34.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020280000	0	52	-1.0	-45.52	400.74	6.73	-38.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020280000	1	52	-1.0	-45.57	400.79	6.76	-38.81
C#CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280001	0	47	-1.0	-39.51	376.48	8.87	-30.64
C#CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280001	1	47	-1.0	-39.49	376.52	8.90	-30.59
C#CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280002	0	44	-1.0	-43.76	361.79	7.73	-36.03
C#CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280002	1	44	-1.0	-43.73	361.73	7.70	-36.03
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280003	0	51	-1.0	-41.66	410.05	10.77	-30.89
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280003	1	51	-1.0	-41.61	410.09	10.76	-30.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020280004	0	52	-1.0	-41.34	418.97	10.07	-31.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020280004	1	52	-1.0	-41.33	419.02	10.07	-31.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020280005	0	49	-1.0	-45.74	394.43	9.82	-35.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020280005	1	49	-1.0	-45.75	394.38	9.80	-35.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020280006	0	52	-1.0	-41.34	418.97	10.07	-31.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020280006	1	52	-1.0	-41.33	419.02	10.07	-31.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020280007	0	49	-1.0	-45.74	394.43	9.82	-35.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020280007	1	49	-1.0	-45.75	394.38	9.80	-35.95
C=CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280008	0	50	-1.0	-41.59	387.17	8.57	-33.02
C=CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280008	1	50	-1.0	-41.58	387.23	8.58	-33.00
C=CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280009	0	47	-1.0	-43.35	370.39	8.00	-35.35
C=CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280009	1	47	-1.0	-43.37	370.33	7.97	-35.40
C=CCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280010	0	54	-1.0	-42.66	424.28	10.73	-31.93
C=CCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280010	1	54	-1.0	-42.73	424.36	10.73	-32.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020280011	0	55	-1.0	-44.96	442.06	9.81	-35.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020280011	1	55	-1.0	-44.99	442.12	9.84	-35.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020280012	0	47	-1.0	-41.53	350.37	6.76	-34.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020280012	1	47	-1.0	-41.49	350.43	6.77	-34.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020280013	0	44	-1.0	-43.62	330.68	6.51	-37.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020280013	1	44	-1.0	-43.57	330.62	6.50	-37.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020280014	0	54	-1.0	-47.96	424.60	6.31	-41.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020280014	1	54	-1.0	-47.97	424.65	6.32	-41.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020280015	0	51	-1.0	-48.95	403.10	5.21	-43.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020280015	1	51	-1.0	-48.94	403.16	5.23	-43.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020280016	0	48	-1.0	-44.63	393.28	9.08	-35.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020280016	1	48	-1.0	-44.62	393.34	9.09	-35.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020280017	0	45	-1.0	-44.04	375.02	8.77	-35.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020280017	1	45	-1.0	-44.01	374.93	8.76	-35.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020280018	0	51	-1.0	-48.70	416.95	6.02	-42.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020280018	1	51	-1.0	-48.68	417.01	6.04	-42.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020280019	0	48	-1.0	-51.26	388.64	5.16	-46.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020280019	1	48	-1.0	-51.30	388.58	5.14	-46.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OCC)CC1	REAL300020280020	0	53	-1.0	-48.74	427.89	9.65	-39.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OCC)CC1	REAL300020280020	1	53	-1.0	-48.76	427.91	9.68	-39.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020280021	0	50	-1.0	-40.41	383.65	8.77	-31.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020280021	1	50	-1.0	-40.41	383.70	8.79	-31.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020280022	0	47	-1.0	-43.83	360.57	9.31	-34.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020280022	1	47	-1.0	-43.81	360.52	9.30	-34.51
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020280023	0	54	-1.0	-41.00	419.67	11.13	-29.87
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020280023	1	54	-1.0	-40.94	419.69	11.12	-29.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020280024	0	50	-1.0	-48.23	401.38	4.97	-43.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020280024	1	50	-1.0	-48.21	401.43	4.99	-43.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020280025	0	47	-1.0	-49.04	379.62	4.18	-44.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020280025	1	47	-1.0	-49.07	379.67	4.20	-44.87
C#CCN(CCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280026	0	42	-1.0	-42.60	347.77	4.26	-38.34
C#CCN(CCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280026	1	42	-1.0	-42.57	347.82	4.28	-38.29
C#CCN(CCO)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280027	0	39	-1.0	-45.57	331.31	2.68	-42.89
C#CCN(CCO)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280027	1	39	-1.0	-45.56	331.26	2.66	-42.90
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280028	0	46	-1.0	-44.16	378.48	6.10	-38.06
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280028	1	46	-1.0	-44.11	378.54	6.08	-38.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020280029	0	54	-1.0	-39.56	438.79	11.37	-28.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020280029	1	54	-1.0	-39.58	438.84	11.38	-28.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020280030	0	51	-1.0	-42.90	409.66	11.20	-31.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020280030	1	51	-1.0	-42.90	409.60	11.18	-31.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020280031	0	54	-1.0	-44.41	428.53	9.60	-34.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020280031	1	54	-1.0	-44.41	428.60	9.62	-34.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020280032	0	47	-1.0	-41.58	354.08	8.22	-33.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020280032	1	47	-1.0	-41.60	354.13	8.23	-33.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020280033	0	44	-1.0	-42.72	347.26	7.86	-34.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020280033	1	44	-1.0	-42.73	347.21	7.83	-34.90
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020280034	0	51	-1.0	-41.75	399.75	10.58	-31.17
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020280034	1	51	-1.0	-41.71	399.73	10.55	-31.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC	REAL300020280035	0	49	-1.0	-40.39	379.38	7.74	-32.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC	REAL300020280035	1	49	-1.0	-40.37	379.43	7.76	-32.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC	REAL300020280036	0	46	-1.0	-43.30	362.48	6.95	-36.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC	REAL300020280036	1	46	-1.0	-43.33	362.43	6.93	-36.40
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CCC	REAL300020280037	0	53	-1.0	-42.11	408.67	9.69	-32.42
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CCC	REAL300020280037	1	53	-1.0	-42.12	408.69	9.68	-32.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020280038	0	50	-1.0	-48.27	397.51	4.46	-43.81
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020280038	1	50	-1.0	-48.30	397.56	4.47	-43.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020280039	0	47	-1.0	-50.06	378.91	4.46	-45.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020280039	1	47	-1.0	-50.12	378.99	4.48	-45.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020280040	0	49	-1.0	-45.45	397.85	7.17	-38.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020280040	1	49	-1.0	-45.46	397.80	7.16	-38.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020280041	0	46	-1.0	-50.09	377.37	6.05	-44.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020280041	1	46	-1.0	-50.16	377.41	6.04	-44.12
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020280042	0	51	-1.0	-42.68	396.77	7.59	-35.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020280042	1	51	-1.0	-42.66	396.82	7.60	-35.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020280043	0	48	-1.0	-45.22	378.37	6.60	-38.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020280043	1	48	-1.0	-45.23	378.31	6.57	-38.66
C#CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280044	0	49	-1.0	-41.02	400.72	8.28	-32.74
C#CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280044	1	49	-1.0	-41.01	400.77	8.30	-32.71
C#CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280045	0	46	-1.0	-43.46	379.14	7.21	-36.25
C#CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280045	1	46	-1.0	-43.49	379.08	7.19	-36.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020280046	0	47	-1.0	-44.61	362.95	4.90	-39.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020280046	1	47	-1.0	-44.61	363.01	4.92	-39.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020280047	0	44	-1.0	-46.80	341.81	4.24	-42.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020280047	1	44	-1.0	-46.85	341.76	4.23	-42.62
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)CC1	REAL300020280048	0	51	-1.0	-45.97	396.95	6.61	-39.36
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)CC1	REAL300020280048	1	51	-1.0	-45.92	396.87	6.60	-39.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(N(C)C)=NO2)CC1	REAL300020280049	0	53	-1.0	-45.10	434.13	7.90	-37.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(N(C)C)=NO2)CC1	REAL300020280049	1	53	-1.0	-45.08	434.19	7.93	-37.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020280050	0	50	-1.0	-52.80	408.55	8.02	-44.78
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020280050	1	50	-1.0	-52.78	408.61	8.03	-44.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020280051	0	47	-1.0	-60.62	389.32	7.32	-53.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020280051	1	47	-1.0	-60.54	389.26	7.30	-53.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020280052	0	51	-1.0	-41.90	417.82	8.97	-32.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020280052	1	51	-1.0	-41.91	417.88	8.99	-32.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020280053	0	48	-1.0	-41.76	367.95	9.69	-32.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020280053	1	48	-1.0	-41.76	368.01	9.71	-32.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020280054	0	45	-1.0	-45.87	342.15	9.44	-36.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020280054	1	45	-1.0	-45.85	342.09	9.42	-36.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020280055	0	56	-1.0	-44.15	428.12	11.63	-32.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020280055	1	56	-1.0	-44.15	428.17	11.64	-32.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020280056	0	47	-1.0	-40.72	381.10	6.56	-34.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020280056	1	47	-1.0	-40.75	381.16	6.58	-34.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020280057	0	44	-1.0	-41.27	362.96	6.13	-35.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020280057	1	44	-1.0	-41.28	362.90	6.10	-35.18
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020280058	0	51	-1.0	-41.68	410.55	8.54	-33.14
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020280058	1	51	-1.0	-41.61	410.55	8.51	-33.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020280059	0	51	-1.0	-42.97	422.02	9.20	-33.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020280059	1	51	-1.0	-42.97	422.08	9.22	-33.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020280060	0	48	-1.0	-43.95	393.96	8.43	-35.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020280060	1	48	-1.0	-43.94	394.02	8.46	-35.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020280061	0	49	-1.0	-41.72	394.96	7.79	-33.93
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020280061	1	49	-1.0	-41.74	395.01	7.81	-33.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020280062	0	46	-1.0	-44.29	372.18	7.41	-36.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020280062	1	46	-1.0	-44.25	372.14	7.40	-36.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020280063	0	48	-1.0	-48.98	374.59	10.08	-38.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020280063	1	48	-1.0	-49.00	374.64	10.09	-38.91
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020280064	0	45	-1.0	-51.52	356.32	9.46	-42.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020280064	1	45	-1.0	-51.50	356.25	9.45	-42.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020280065	0	55	0.0	-68.14	390.31	8.07	-60.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020280065	1	55	0.0	-62.68	398.90	8.92	-53.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020280065	1	55	0.0	-68.15	390.36	8.08	-60.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020280065	1	55	0.0	-62.68	398.95	8.93	-53.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020280066	0	52	0.0	-59.78	388.89	8.05	-51.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020280066	1	52	0.0	-65.22	381.91	8.51	-56.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020280066	1	52	0.0	-59.78	388.84	8.02	-51.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020280066	1	52	0.0	-65.19	381.85	8.50	-56.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020280067	0	54	-1.0	-44.39	432.53	10.56	-33.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020280067	1	54	-1.0	-44.34	432.59	10.57	-33.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020280068	0	51	-1.0	-49.68	404.37	9.36	-40.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020280068	1	51	-1.0	-49.70	404.43	9.38	-40.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020280069	0	44	-1.0	-41.73	333.48	6.78	-34.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020280069	1	44	-1.0	-41.72	333.53	6.80	-34.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020280070	0	41	-1.0	-45.75	302.17	6.29	-39.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020280070	1	41	-1.0	-45.76	302.09	6.28	-39.48
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020280071	0	48	-1.0	-42.11	380.00	9.65	-32.46
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020280071	1	48	-1.0	-41.96	380.05	9.64	-32.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020280072	0	53	-1.0	-43.22	423.51	10.71	-32.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020280072	1	53	-1.0	-43.23	423.57	10.73	-32.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020280073	0	50	-1.0	-44.31	396.43	10.19	-34.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020280073	1	50	-1.0	-44.32	396.42	10.22	-34.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020280074	0	53	-1.0	-39.81	396.34	9.83	-29.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020280074	1	53	-1.0	-39.83	396.40	9.84	-29.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020280075	0	50	-1.0	-42.11	376.09	9.03	-33.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020280075	1	50	-1.0	-42.07	376.03	9.01	-33.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020280076	0	47	-1.0	-40.57	382.44	7.24	-33.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020280076	1	47	-1.0	-40.59	382.50	7.26	-33.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020280077	0	44	-1.0	-43.25	358.51	6.60	-36.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020280077	1	44	-1.0	-43.22	358.46	6.58	-36.64
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C)C1CCOCC1	REAL300020280078	0	52	-1.0	-40.77	405.16	8.01	-32.76
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C)C1CCOCC1	REAL300020280078	1	52	-1.0	-40.68	405.22	8.02	-32.66
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C)C1CCOCC1	REAL300020280079	0	49	-1.0	-43.30	389.44	6.32	-36.98
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C)C1CCOCC1	REAL300020280079	1	49	-1.0	-43.31	389.39	6.30	-37.01
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C)C1CCCC1	REAL300020280080	0	51	-1.0	-41.44	402.43	8.97	-32.47
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C)C1CCCC1	REAL300020280080	1	51	-1.0	-41.45	402.48	8.98	-32.47
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C)C1CCCC1	REAL300020280081	0	48	-1.0	-44.31	383.42	8.16	-36.15
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C)C1CCCC1	REAL300020280081	1	48	-1.0	-44.28	383.37	8.13	-36.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020280082	0	54	-1.0	-43.40	435.31	8.90	-34.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020280082	1	54	-1.0	-43.38	435.37	8.91	-34.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020280083	0	51	-1.0	-45.94	407.53	8.74	-37.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020280083	1	51	-1.0	-45.93	407.56	8.76	-37.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1	REAL300020280084	0	51	-1.0	-45.16	387.62	6.29	-38.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1	REAL300020280084	1	51	-1.0	-45.17	387.66	6.32	-38.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020280085	0	44	-1.0	-40.56	373.09	8.92	-31.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020280085	1	44	-1.0	-40.54	373.15	8.94	-31.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020280086	0	41	-1.0	-43.57	354.74	8.25	-35.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020280086	1	41	-1.0	-43.59	354.69	8.23	-35.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020280087	0	47	-1.0	-51.73	388.83	4.42	-47.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020280087	1	47	-1.0	-51.72	388.89	4.43	-47.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020280088	0	44	-1.0	-53.72	359.10	4.05	-49.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020280088	1	44	-1.0	-53.73	359.09	4.07	-49.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020280089	0	47	-1.0	-42.42	371.12	8.24	-34.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020280089	1	47	-1.0	-42.41	371.19	8.25	-34.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020280090	0	44	-1.0	-44.86	347.73	8.01	-36.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020280090	1	44	-1.0	-44.85	347.78	8.02	-36.83
C=CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280091	0	49	-1.0	-39.67	390.58	8.05	-31.62
C=CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280091	1	49	-1.0	-39.74	390.63	8.07	-31.67
C=CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280092	0	46	-1.0	-43.59	363.61	7.99	-35.60
C=CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280092	1	46	-1.0	-43.56	363.56	7.97	-35.59
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280093	0	53	-1.0	-41.64	422.97	10.12	-31.52
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280093	1	53	-1.0	-41.60	423.02	10.11	-31.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020280094	0	48	-1.0	-40.85	379.06	8.18	-32.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020280094	1	48	-1.0	-40.83	379.11	8.20	-32.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020280095	0	45	-1.0	-43.40	359.57	7.87	-35.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020280095	1	45	-1.0	-43.39	359.51	7.85	-35.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020280096	0	56	-1.0	-43.04	431.59	12.01	-31.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020280096	1	56	-1.0	-43.01	431.72	12.04	-30.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020280097	0	56	-1.0	-43.24	438.71	11.44	-31.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020280097	1	56	-1.0	-43.25	438.77	11.46	-31.79
C#CC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280098	0	42	-1.0	-42.73	344.35	7.70	-35.03
C#CC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280098	1	42	-1.0	-42.76	344.41	7.71	-35.05
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280099	0	46	-1.0	-44.34	375.48	9.53	-34.81
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280099	1	46	-1.0	-44.33	375.51	9.52	-34.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020280100	0	51	-1.0	-41.87	417.47	8.19	-33.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020280100	1	51	-1.0	-41.86	417.53	8.20	-33.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020280101	0	48	-1.0	-42.43	405.97	7.77	-34.66
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020280101	1	48	-1.0	-42.44	406.03	7.79	-34.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020280102	0	50	-1.0	-47.67	415.12	6.31	-41.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020280102	1	50	-1.0	-47.69	415.17	6.32	-41.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020280103	0	47	-1.0	-43.88	400.16	6.22	-37.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020280103	1	47	-1.0	-43.84	400.10	6.20	-37.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020280104	0	50	-1.0	-40.96	390.52	9.27	-31.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020280104	1	50	-1.0	-40.97	390.57	9.28	-31.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020280105	0	47	-1.0	-44.36	371.08	9.09	-35.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020280105	1	47	-1.0	-44.34	371.03	9.08	-35.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020280106	0	54	-1.0	-41.54	414.06	8.32	-33.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020280106	1	54	-1.0	-41.57	414.11	8.34	-33.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020280107	0	51	-1.0	-47.70	367.61	5.47	-42.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020280107	1	51	-1.0	-47.68	367.55	5.45	-42.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020280108	0	50	-1.0	-49.99	410.92	10.02	-39.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020280108	1	50	-1.0	-49.93	410.87	10.01	-39.92
C#CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280109	0	45	-1.0	-42.09	366.20	8.19	-33.90
C#CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280109	1	45	-1.0	-42.09	366.25	8.21	-33.88
C#CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280110	0	42	-1.0	-47.69	342.80	7.66	-40.03
C#CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280110	1	42	-1.0	-47.66	342.66	7.64	-40.02
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280111	0	49	-1.0	-43.29	403.39	10.34	-32.95
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280111	1	49	-1.0	-43.35	403.43	10.35	-33.00
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(OCC)C=C1	REAL300020280112	0	56	-1.0	-42.40	453.87	9.91	-32.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(OCC)C=C1	REAL300020280112	1	56	-1.0	-42.41	453.93	9.92	-32.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(OCC)C=C1	REAL300020280113	0	53	-1.0	-45.50	428.51	9.36	-36.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(OCC)C=C1	REAL300020280113	1	53	-1.0	-45.53	428.57	9.38	-36.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020280114	0	50	-1.0	-44.85	419.97	4.92	-39.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020280114	1	50	-1.0	-44.79	420.03	4.93	-39.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020280115	0	57	-1.0	-43.02	405.29	7.60	-35.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020280115	1	57	-1.0	-43.03	405.35	7.62	-35.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020280116	0	54	-1.0	-46.37	381.87	7.39	-38.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020280116	1	54	-1.0	-46.40	381.91	7.39	-39.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020280117	0	52	-1.0	-41.23	416.04	6.09	-35.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020280117	1	52	-1.0	-41.21	416.09	6.10	-35.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020280118	0	49	-1.0	-42.99	391.42	5.24	-37.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020280118	1	49	-1.0	-42.97	391.48	5.27	-37.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2C)CC1	REAL300020280119	0	54	-1.0	-42.79	428.10	11.58	-31.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2C)CC1	REAL300020280119	1	54	-1.0	-42.78	428.05	11.56	-31.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCCC)CC1	REAL300020280120	0	54	-1.0	-44.05	435.26	7.92	-36.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCCC)CC1	REAL300020280120	1	54	-1.0	-44.06	435.32	7.94	-36.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCCC)CC1	REAL300020280121	0	51	-1.0	-47.93	405.10	7.45	-40.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCCC)CC1	REAL300020280121	1	51	-1.0	-47.94	405.15	7.47	-40.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020280122	0	47	-1.0	-43.49	398.84	6.83	-36.66
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020280122	1	47	-1.0	-43.47	398.89	6.85	-36.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020280123	0	47	-1.0	-44.50	377.38	5.22	-39.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020280123	1	47	-1.0	-44.50	377.44	5.23	-39.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020280124	0	44	-1.0	-47.73	351.29	4.71	-43.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020280124	1	44	-1.0	-47.74	351.22	4.71	-43.03
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020280125	0	51	-1.0	-46.05	410.22	6.70	-39.35
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020280125	1	51	-1.0	-45.89	410.26	6.69	-39.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020280126	0	47	-1.0	-43.12	391.29	5.99	-37.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020280126	1	47	-1.0	-43.11	391.35	6.00	-37.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020280127	0	44	-1.0	-45.31	374.70	5.41	-39.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC(C)C(F)(F)F)C1	REAL300020280127	1	44	-1.0	-45.28	374.74	5.43	-39.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020280128	0	49	-1.0	-44.48	389.39	7.03	-37.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020280128	1	49	-1.0	-44.44	389.45	7.04	-37.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020280129	0	46	-1.0	-47.75	367.94	6.22	-41.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020280129	1	46	-1.0	-47.71	367.99	6.25	-41.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020280130	0	50	-1.0	-44.68	388.32	12.23	-32.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020280130	1	50	-1.0	-44.67	388.38	12.24	-32.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020280131	0	47	-1.0	-47.17	369.76	11.60	-35.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020280131	1	47	-1.0	-47.17	369.69	11.58	-35.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020280132	0	47	-1.0	-39.97	361.34	8.08	-31.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020280132	1	47	-1.0	-39.99	361.41	8.09	-31.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020280133	0	44	-1.0	-43.81	338.41	7.71	-36.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020280133	1	44	-1.0	-43.82	338.36	7.70	-36.12
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020280134	0	51	-1.0	-41.56	397.99	10.24	-31.32
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020280134	1	51	-1.0	-41.48	398.35	10.24	-31.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=C)C1	REAL300020280135	0	41	-1.0	-40.21	335.37	6.95	-33.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=C)C1	REAL300020280135	1	41	-1.0	-40.18	335.43	6.96	-33.22
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(=C)C1	REAL300020280136	0	45	-1.0	-43.61	342.58	7.84	-35.77
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(=C)C1	REAL300020280136	1	45	-1.0	-43.62	342.86	7.83	-35.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)CC(F)(F)F)CC1	REAL300020280137	0	51	-1.0	-44.11	403.12	7.17	-36.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)CC(F)(F)F)CC1	REAL300020280137	1	51	-1.0	-44.18	403.09	7.20	-36.98
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020280138	0	49	-1.0	-44.75	396.28	1.85	-42.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020280138	1	49	-1.0	-44.83	396.34	1.87	-42.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020280139	0	46	-1.0	-49.54	371.12	1.55	-47.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020280139	1	46	-1.0	-49.54	371.06	1.53	-48.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020280140	0	49	-1.0	-40.49	374.60	6.94	-33.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020280140	1	49	-1.0	-40.51	374.66	6.96	-33.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020280141	0	46	-1.0	-41.82	363.21	6.50	-35.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020280141	1	46	-1.0	-41.83	363.17	6.48	-35.35
C=CCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280142	0	46	-1.0	-40.19	368.13	8.14	-32.05
C=CCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280142	1	46	-1.0	-40.20	368.20	8.15	-32.05
C=CCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280143	0	43	-1.0	-41.90	350.74	7.40	-34.50
C=CCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280143	1	43	-1.0	-41.88	350.69	7.37	-34.51
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280144	0	50	-1.0	-41.84	404.05	9.58	-32.26
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280144	1	50	-1.0	-41.80	404.10	9.57	-32.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020280145	0	56	0.0	-65.42	429.92	10.46	-54.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020280145	1	56	0.0	-65.95	435.70	10.62	-55.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020280145	1	55	-1.0	-44.94	424.14	8.78	-36.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020280145	1	55	-1.0	-44.91	424.20	8.80	-36.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020280146	0	44	-1.0	-41.65	370.61	6.08	-35.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020280146	1	44	-1.0	-41.65	370.67	6.09	-35.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020280147	0	41	-1.0	-46.17	344.26	5.79	-40.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020280147	1	41	-1.0	-46.18	344.33	5.81	-40.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020280148	0	44	-1.0	-41.01	373.76	5.89	-35.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020280148	1	44	-1.0	-41.02	373.82	5.91	-35.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020280149	0	41	-1.0	-43.55	352.00	5.41	-38.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020280149	1	41	-1.0	-43.56	352.06	5.44	-38.12
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020280150	0	46	-1.0	-42.50	383.51	6.50	-36.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020280150	1	46	-1.0	-42.54	383.57	6.52	-36.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020280151	0	43	-1.0	-44.61	362.06	5.74	-38.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020280151	1	43	-1.0	-44.61	362.01	5.72	-38.89
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020280152	0	50	-1.0	-44.55	409.08	8.92	-35.63
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020280152	1	50	-1.0	-44.53	409.12	8.91	-35.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020280153	0	47	-1.0	-44.74	369.40	5.76	-38.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020280153	1	47	-1.0	-44.71	369.45	5.78	-38.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020280154	0	44	-1.0	-46.58	341.86	5.24	-41.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020280154	1	44	-1.0	-46.58	341.80	5.22	-41.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020280155	0	51	-1.0	-40.50	418.29	9.75	-30.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020280155	1	51	-1.0	-40.48	418.36	9.77	-30.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020280156	0	48	-1.0	-48.04	381.57	8.79	-39.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020280156	1	48	-1.0	-48.01	381.55	8.78	-39.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020280157	0	48	-1.0	-46.12	397.11	8.86	-37.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020280157	1	48	-1.0	-46.09	397.17	8.87	-37.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020280158	0	45	-1.0	-47.06	370.61	9.63	-37.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020280158	1	45	-1.0	-47.03	370.52	9.63	-37.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020280159	0	49	-1.0	-48.53	375.89	8.08	-40.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020280159	1	49	-1.0	-48.52	375.95	8.09	-40.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020280160	0	46	-1.0	-53.71	354.04	7.71	-46.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020280160	1	46	-1.0	-53.68	353.99	7.69	-45.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020280161	0	47	-1.0	-41.12	370.60	6.01	-35.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020280161	1	47	-1.0	-41.11	370.66	6.02	-35.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020280162	0	44	-1.0	-43.10	345.67	5.16	-37.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020280162	1	44	-1.0	-43.09	345.62	5.13	-37.96
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOCC1	REAL300020280163	0	51	-1.0	-42.85	395.26	7.96	-34.89
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOCC1	REAL300020280163	1	51	-1.0	-42.84	395.28	7.94	-34.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020280164	0	49	-1.0	-43.29	382.86	5.53	-37.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020280164	1	49	-1.0	-43.28	382.91	5.55	-37.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020280165	0	46	-1.0	-47.77	355.30	5.17	-42.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020280165	1	46	-1.0	-47.74	355.24	5.16	-42.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CCC1C	REAL300020280166	0	46	-1.0	-39.58	378.70	7.21	-32.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CCC1C	REAL300020280166	1	46	-1.0	-39.58	378.76	7.22	-32.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CCC1C	REAL300020280167	0	43	-1.0	-42.04	357.26	6.51	-35.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CCC1C	REAL300020280167	1	43	-1.0	-42.01	357.20	6.48	-35.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020280168	0	48	-1.0	-43.09	377.44	6.55	-36.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020280168	1	48	-1.0	-43.15	377.49	6.56	-36.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020280169	0	45	-1.0	-47.85	332.92	4.59	-43.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020280169	1	45	-1.0	-47.85	332.87	4.57	-43.28
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCO2)C1	REAL300020280170	0	52	-1.0	-42.69	403.20	8.60	-34.09
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCO2)C1	REAL300020280170	1	52	-1.0	-42.64	403.24	8.59	-34.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020280171	0	50	-1.0	-51.82	394.47	4.82	-47.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020280171	1	50	-1.0	-51.83	394.52	4.84	-46.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020280172	0	47	-1.0	-50.71	368.63	4.70	-46.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020280172	1	47	-1.0	-50.68	368.69	4.71	-45.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020280173	0	53	-1.0	-39.61	411.60	10.64	-28.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020280173	1	53	-1.0	-39.65	411.66	10.65	-29.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020280174	0	50	-1.0	-42.53	397.59	9.45	-33.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020280174	1	50	-1.0	-42.56	397.52	9.43	-33.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020280175	0	59	0.0	-68.19	430.87	10.10	-58.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020280175	1	59	0.0	-68.17	430.93	10.12	-58.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020280176	0	56	0.0	-71.13	411.11	9.55	-61.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020280176	1	56	0.0	-71.17	411.17	9.56	-61.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C(C(=O)OC)C1	REAL300020280177	0	49	-1.0	-57.17	405.51	7.09	-50.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C(C(=O)OC)C1	REAL300020280177	1	49	-1.0	-57.22	405.57	7.12	-50.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020280178	0	53	-1.0	-41.84	411.19	10.71	-31.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020280178	1	53	-1.0	-41.83	411.24	10.72	-31.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020280179	0	50	-1.0	-42.85	390.82	9.93	-32.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020280179	1	50	-1.0	-42.84	390.76	9.91	-32.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020280180	0	52	-1.0	-45.70	418.86	9.54	-36.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020280180	1	52	-1.0	-45.66	418.91	9.55	-36.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020280181	0	49	-1.0	-47.45	396.28	8.70	-38.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020280181	1	49	-1.0	-47.42	396.22	8.67	-38.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020280182	0	50	-1.0	-42.18	362.99	5.90	-36.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020280182	1	50	-1.0	-42.20	363.05	5.92	-36.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020280183	0	47	-1.0	-45.46	338.90	5.63	-39.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020280183	1	47	-1.0	-45.42	338.85	5.61	-39.81
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020280184	0	54	-1.0	-41.98	398.50	9.19	-32.79
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020280184	1	54	-1.0	-41.98	398.53	9.18	-32.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020280185	0	48	-1.0	-40.45	374.98	6.32	-34.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020280185	1	48	-1.0	-40.43	375.04	6.34	-34.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020280186	0	45	-1.0	-46.06	318.69	4.71	-41.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020280186	1	45	-1.0	-46.02	318.65	4.68	-41.34
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020280187	0	52	-1.0	-43.21	413.20	8.65	-34.56
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020280187	1	52	-1.0	-43.22	413.24	8.64	-34.58
C=CCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280188	0	49	-1.0	-39.56	400.34	9.12	-30.44
C=CCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280188	1	49	-1.0	-39.57	400.40	9.14	-30.43
C=CCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280189	0	46	-1.0	-41.88	380.41	8.16	-33.72
C=CCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280189	1	46	-1.0	-41.87	380.35	8.14	-33.73
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280190	0	53	-1.0	-42.23	421.26	10.92	-31.31
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280190	1	53	-1.0	-42.22	421.33	10.92	-31.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020280191	0	56	-1.0	-42.19	450.29	10.09	-32.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020280191	1	56	-1.0	-42.18	450.34	10.10	-32.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020280192	0	53	-1.0	-42.82	434.10	9.29	-33.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020280192	1	53	-1.0	-42.81	434.16	9.31	-33.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020280193	0	60	0.0	-64.79	419.67	7.69	-57.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020280193	1	60	0.0	-65.02	420.60	7.16	-57.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@@H+](CC)CC1	REAL300020280193	1	60	0.0	-64.83	419.73	7.70	-57.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020280193	1	60	0.0	-65.02	420.66	7.19	-57.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020280194	0	43	-1.0	-41.82	356.09	7.58	-34.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020280194	1	43	-1.0	-41.76	356.13	7.60	-34.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020280195	0	40	-1.0	-42.71	337.50	6.92	-35.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020280195	1	40	-1.0	-42.70	337.44	6.89	-35.81
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020280196	0	47	-1.0	-44.04	384.53	9.58	-34.46
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020280196	1	47	-1.0	-44.05	384.59	9.57	-34.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC1OC	REAL300020280197	0	47	-1.0	-41.76	374.26	6.58	-35.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC1OC	REAL300020280197	1	47	-1.0	-41.80	374.33	6.60	-35.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC1OC	REAL300020280198	0	44	-1.0	-45.03	357.75	5.70	-39.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC1OC	REAL300020280198	1	44	-1.0	-45.03	357.69	5.68	-39.35
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1OC	REAL300020280199	0	51	-1.0	-44.28	400.53	8.15	-36.13
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC1OC	REAL300020280199	1	51	-1.0	-44.27	400.57	8.14	-36.13
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020280200	0	48	-1.0	-41.73	371.61	6.15	-35.58
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020280200	1	48	-1.0	-41.73	371.66	6.16	-35.57
C=CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020280201	0	45	-1.0	-46.75	363.43	6.75	-40.00
C=CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020280201	1	45	-1.0	-46.77	363.38	6.73	-40.04
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(=C)C)C1	REAL300020280202	0	52	-1.0	-43.37	396.43	7.89	-35.48
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(=C)C)C1	REAL300020280202	1	52	-1.0	-43.32	396.42	7.88	-35.44
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280203	0	48	-1.0	-40.86	387.10	9.57	-31.29
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280203	1	48	-1.0	-40.92	387.15	9.59	-31.33
C#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280204	0	45	-1.0	-44.17	373.32	8.39	-35.78
C#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280204	1	45	-1.0	-44.19	373.27	8.36	-35.83
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(=C)C)CC1	REAL300020280205	0	52	-1.0	-42.87	425.77	11.37	-31.50
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(=C)C)CC1	REAL300020280205	1	52	-1.0	-42.80	425.81	11.36	-31.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020280206	0	54	-1.0	-45.17	426.36	9.83	-35.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020280206	1	54	-1.0	-45.20	426.42	9.84	-35.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020280207	0	51	-1.0	-47.97	411.46	9.19	-38.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020280207	1	51	-1.0	-47.97	411.40	9.16	-38.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020280208	0	56	-1.0	-39.96	423.72	10.40	-29.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020280208	1	56	-1.0	-39.93	423.77	10.41	-29.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020280209	0	53	-1.0	-42.47	404.18	9.70	-32.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020280209	1	53	-1.0	-42.48	404.24	9.72	-32.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020280210	0	50	-1.0	-43.50	408.12	5.83	-37.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020280210	1	50	-1.0	-43.54	408.18	5.85	-37.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020280211	0	47	-1.0	-44.94	391.46	5.16	-39.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020280211	1	47	-1.0	-44.94	391.52	5.18	-39.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020280212	0	50	-1.0	-41.61	395.41	7.14	-34.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020280212	1	50	-1.0	-41.64	395.47	7.16	-34.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020280213	0	47	-1.0	-42.72	379.31	6.24	-36.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020280213	1	47	-1.0	-42.69	379.26	6.21	-36.48
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020280214	0	54	-1.0	-43.28	428.99	9.23	-34.05
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020280214	1	54	-1.0	-43.21	429.03	9.22	-33.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020280215	0	47	-1.0	-41.47	380.78	5.04	-36.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020280215	1	47	-1.0	-41.52	380.84	5.06	-36.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020280216	0	44	-1.0	-42.47	353.44	4.48	-37.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020280216	1	44	-1.0	-42.44	353.39	4.46	-37.98
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020280217	0	51	-1.0	-43.01	405.06	6.88	-36.13
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020280217	1	51	-1.0	-42.95	405.07	6.87	-36.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020280218	0	54	-1.0	-42.28	424.07	5.67	-36.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020280218	1	54	-1.0	-42.30	424.13	5.68	-36.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020280219	0	51	-1.0	-45.69	397.81	5.20	-40.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020280219	1	51	-1.0	-45.71	397.88	5.22	-40.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(=O)OC)CC1	REAL300020280220	0	53	-1.0	-45.53	425.80	8.32	-37.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(=O)OC)CC1	REAL300020280220	1	53	-1.0	-45.53	425.85	8.35	-37.18
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020280221	0	47	-1.0	-40.31	345.60	3.19	-37.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020280221	1	47	-1.0	-40.30	345.66	3.20	-37.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020280222	0	44	-1.0	-51.51	340.00	4.18	-47.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020280222	1	44	-1.0	-51.57	340.07	4.21	-47.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(C)C	REAL300020280223	0	51	-1.0	-40.24	399.90	8.94	-31.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(C)C	REAL300020280223	1	51	-1.0	-40.27	399.95	8.96	-31.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(C)C	REAL300020280224	0	48	-1.0	-41.50	382.95	8.05	-33.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(C)C	REAL300020280224	1	48	-1.0	-41.50	382.89	8.03	-33.47
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC(C)C	REAL300020280225	0	55	-1.0	-41.86	427.69	10.97	-30.89
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC(C)C	REAL300020280225	1	55	-1.0	-41.89	427.73	10.96	-30.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020280226	0	46	-1.0	-47.20	374.33	8.58	-38.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020280226	1	46	-1.0	-47.21	374.36	8.60	-38.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020280227	0	43	-1.0	-46.78	364.93	7.82	-38.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020280227	1	43	-1.0	-46.77	364.99	7.85	-38.92
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1C=CN=C1	REAL300020280228	0	50	-1.0	-48.12	412.93	10.78	-37.34
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1C=CN=C1	REAL300020280228	1	50	-1.0	-48.07	412.93	10.74	-37.33
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCN1CCOCC1	REAL300020280229	0	55	-1.0	-40.82	433.16	5.23	-35.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020280229	1	55	-1.0	-40.78	433.22	5.24	-35.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020280229	1	56	0.0	-69.78	427.10	7.58	-62.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCN1CCOCC1	REAL300020280230	0	52	-1.0	-42.88	412.88	4.52	-38.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020280230	1	52	-1.0	-42.85	412.94	4.55	-38.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020280230	1	53	0.0	-70.55	413.25	6.74	-63.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020280231	0	54	-1.0	-44.07	425.24	8.25	-35.82
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020280231	1	54	-1.0	-44.04	425.30	8.26	-35.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020280232	0	51	-1.0	-43.52	415.56	7.54	-35.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020280232	1	51	-1.0	-43.52	415.62	7.57	-35.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020280233	0	50	-1.0	-40.28	392.51	9.20	-31.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020280233	1	50	-1.0	-40.28	392.57	9.22	-31.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020280234	0	47	-1.0	-44.62	371.49	9.22	-35.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020280234	1	47	-1.0	-44.59	371.51	9.23	-35.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020280235	0	46	-1.0	-42.30	378.94	8.50	-33.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020280235	1	46	-1.0	-42.29	379.00	8.51	-33.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020280236	0	43	-1.0	-43.39	352.15	8.06	-35.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020280236	1	43	-1.0	-43.42	352.21	8.06	-35.36
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=CN1C	REAL300020280237	0	50	-1.0	-43.60	411.23	10.24	-33.36
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=CN1C	REAL300020280237	1	50	-1.0	-43.57	411.30	10.23	-33.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020280238	0	53	-1.0	-40.48	394.07	6.60	-33.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020280238	1	53	-1.0	-40.48	394.13	6.62	-33.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020280239	0	50	-1.0	-41.37	372.05	5.98	-35.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020280239	1	50	-1.0	-41.31	371.98	5.97	-35.34
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020280240	0	55	-1.0	-42.42	424.68	4.71	-37.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020280240	1	55	-1.0	-42.42	424.73	4.72	-37.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020280241	0	52	-1.0	-45.55	400.04	4.01	-41.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020280241	1	52	-1.0	-45.51	400.10	4.03	-41.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCOC)C1	REAL300020280242	0	53	-1.0	-42.17	417.10	7.80	-34.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCOC)C1	REAL300020280242	1	53	-1.0	-42.19	417.16	7.82	-34.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCOC)C1	REAL300020280243	0	50	-1.0	-46.86	386.95	7.37	-39.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCOC)C1	REAL300020280243	1	50	-1.0	-46.86	386.89	7.35	-39.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020280244	0	53	-1.0	-44.36	421.98	10.06	-34.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020280244	1	53	-1.0	-44.41	422.03	10.07	-34.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020280244	1	54	0.0	-67.69	425.46	10.59	-57.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020280245	0	50	-1.0	-47.33	394.89	10.09	-37.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020280245	1	50	-1.0	-47.33	394.95	10.10	-37.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020280245	1	51	0.0	-70.12	398.23	10.20	-59.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020280246	0	44	-1.0	-43.34	374.47	10.03	-33.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020280246	1	44	-1.0	-43.32	374.43	10.00	-33.32
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280247	0	48	-1.0	-41.88	367.87	7.44	-34.44
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280247	1	48	-1.0	-41.90	367.92	7.46	-34.44
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280248	0	45	-1.0	-45.80	360.59	6.77	-39.03
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280248	1	45	-1.0	-45.81	360.53	6.75	-39.06
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280249	0	52	-1.0	-43.69	380.27	8.08	-35.61
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280249	1	52	-1.0	-43.70	380.16	8.05	-35.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020280250	0	44	-1.0	-43.75	378.52	9.00	-34.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020280250	1	44	-1.0	-43.76	378.46	8.98	-34.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020280251	0	61	0.0	-61.32	439.41	9.74	-51.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020280251	1	61	0.0	-61.34	439.47	9.76	-51.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020280252	0	58	0.0	-62.67	427.21	8.36	-54.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020280252	1	58	0.0	-62.74	427.26	8.39	-54.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020280253	0	44	-1.0	-43.34	376.96	8.96	-34.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020280253	1	44	-1.0	-43.33	376.89	8.93	-34.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020280254	0	51	-1.0	-41.33	415.46	9.35	-31.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020280254	1	51	-1.0	-41.34	415.51	9.36	-31.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020280255	0	48	-1.0	-44.38	387.91	8.77	-35.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020280255	1	48	-1.0	-44.35	387.85	8.75	-35.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020280256	0	50	-1.0	-42.76	411.21	10.08	-32.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020280256	1	50	-1.0	-42.76	411.27	10.09	-32.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020280257	0	47	-1.0	-43.51	379.82	9.77	-33.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020280257	1	47	-1.0	-43.51	379.78	9.74	-33.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020280258	0	50	-1.0	-41.80	411.25	10.45	-31.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020280258	1	50	-1.0	-41.81	411.30	10.47	-31.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020280259	0	47	-1.0	-45.53	380.94	9.08	-36.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020280259	1	47	-1.0	-45.53	380.88	9.05	-36.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020280260	0	54	-1.0	-40.57	402.59	8.18	-32.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020280260	1	54	-1.0	-40.55	402.65	8.20	-32.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020280261	0	51	-1.0	-45.24	373.36	7.59	-37.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020280261	1	51	-1.0	-45.33	373.40	7.60	-37.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020280262	0	56	-1.0	-40.65	442.54	11.63	-29.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020280262	1	56	-1.0	-40.63	442.60	11.65	-28.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020280263	0	53	-1.0	-42.33	425.09	10.66	-31.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020280263	1	53	-1.0	-42.34	425.15	10.69	-31.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020280264	0	50	-1.0	-41.02	421.17	10.63	-30.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020280264	1	50	-1.0	-41.03	421.23	10.65	-30.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020280265	0	47	-1.0	-44.31	391.97	9.56	-34.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(Cl)=C2C1	REAL300020280265	1	47	-1.0	-44.28	391.91	9.52	-34.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020280266	0	48	-1.0	-39.77	357.83	8.19	-31.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020280266	1	48	-1.0	-39.80	357.89	8.20	-31.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020280267	0	45	-1.0	-41.28	339.37	7.57	-33.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020280267	1	45	-1.0	-41.25	339.30	7.56	-33.69
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020280268	0	52	-1.0	-41.10	381.13	9.78	-31.32
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020280268	1	52	-1.0	-41.15	383.08	9.98	-31.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020280269	0	50	-1.0	-47.58	404.70	5.29	-42.29
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020280269	1	50	-1.0	-47.57	404.76	5.30	-42.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020280270	0	47	-1.0	-51.70	377.50	4.74	-46.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020280270	1	47	-1.0	-51.71	377.54	4.76	-46.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020280271	0	49	-1.0	-41.49	382.03	6.01	-35.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020280271	1	49	-1.0	-41.50	382.09	6.02	-35.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020280272	0	46	-1.0	-46.16	358.90	5.41	-40.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020280272	1	46	-1.0	-46.16	358.84	5.40	-40.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020280273	0	54	-1.0	-42.10	431.80	5.77	-36.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020280273	1	54	-1.0	-42.08	431.85	5.78	-36.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020280274	0	51	-1.0	-45.89	401.08	6.10	-39.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020280274	1	51	-1.0	-45.90	401.13	6.11	-39.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020280275	0	52	-1.0	-40.24	389.00	8.88	-31.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020280275	1	52	-1.0	-40.24	389.05	8.89	-31.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020280276	0	49	-1.0	-42.78	373.35	7.91	-34.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020280276	1	49	-1.0	-42.76	373.29	7.89	-34.87
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020280277	0	56	-1.0	-41.34	418.78	10.67	-30.67
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020280277	1	56	-1.0	-41.42	418.90	10.68	-30.74
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020280278	0	51	-1.0	-42.01	399.77	7.39	-34.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020280278	1	51	-1.0	-42.04	399.82	7.41	-34.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020280279	0	48	-1.0	-46.34	375.52	7.12	-39.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020280279	1	48	-1.0	-46.33	375.61	7.13	-39.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020280280	0	48	-1.0	-41.47	390.45	7.03	-34.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020280280	1	48	-1.0	-41.51	390.51	7.05	-34.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020280281	0	45	-1.0	-45.50	360.88	6.59	-38.91
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020280281	1	45	-1.0	-45.44	360.81	6.58	-38.86
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020280282	0	52	-1.0	-42.08	404.85	7.95	-34.13
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020280282	1	52	-1.0	-42.04	404.89	7.95	-34.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020280283	0	54	-1.0	-44.47	421.81	7.46	-37.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020280283	1	54	-1.0	-44.52	421.87	7.48	-37.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020280284	0	51	-1.0	-50.32	393.87	6.90	-43.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020280284	1	51	-1.0	-50.27	393.97	6.91	-43.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020280285	0	53	-1.0	-49.01	410.13	7.33	-41.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020280285	1	53	-1.0	-48.99	410.16	7.35	-41.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020280286	0	50	-1.0	-54.30	387.22	7.03	-47.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020280286	1	50	-1.0	-54.24	387.16	7.01	-47.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020280287	0	47	-1.0	-49.54	381.14	7.43	-42.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020280287	1	47	-1.0	-49.57	381.20	7.45	-42.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020280288	0	44	-1.0	-51.17	350.96	6.85	-44.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020280288	1	44	-1.0	-51.16	350.92	6.84	-44.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020280289	0	53	-1.0	-49.93	406.88	7.95	-41.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020280289	1	53	-1.0	-49.97	406.94	7.98	-41.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020280290	0	50	-1.0	-50.31	391.91	7.38	-42.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020280290	1	50	-1.0	-50.32	391.85	7.35	-42.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020280291	0	47	-1.0	-42.90	387.14	7.77	-35.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020280291	1	47	-1.0	-42.87	387.20	7.79	-35.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020280292	0	44	-1.0	-48.82	358.31	6.98	-41.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020280292	1	44	-1.0	-48.77	358.37	7.01	-41.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020280293	0	54	-1.0	-41.07	423.67	7.30	-33.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020280293	1	54	-1.0	-41.04	423.73	7.31	-33.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020280294	0	51	-1.0	-47.34	380.82	6.45	-40.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020280294	1	51	-1.0	-47.34	380.86	6.45	-40.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020280295	0	54	-1.0	-44.43	418.30	8.00	-36.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020280295	1	54	-1.0	-44.41	418.36	8.02	-36.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020280296	0	51	-1.0	-46.85	397.73	7.33	-39.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020280296	1	51	-1.0	-46.82	397.67	7.31	-39.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020280297	0	53	-1.0	-42.41	416.58	9.93	-32.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020280297	1	53	-1.0	-42.37	416.64	9.95	-32.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020280298	0	50	-1.0	-44.07	399.18	9.90	-34.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020280298	1	50	-1.0	-44.04	399.12	9.89	-34.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020280299	0	49	-1.0	-41.11	374.10	8.24	-32.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020280299	1	49	-1.0	-41.04	374.17	8.27	-32.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020280300	0	46	-1.0	-44.76	350.80	8.24	-36.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020280300	1	46	-1.0	-44.73	350.73	8.21	-36.52
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1C	REAL300020280301	0	53	-1.0	-42.54	408.92	10.35	-32.19
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1C	REAL300020280301	1	53	-1.0	-42.54	408.95	10.34	-32.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020280302	0	44	-1.0	-44.12	369.21	4.57	-39.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020280302	1	44	-1.0	-44.14	369.27	4.59	-39.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020280303	0	41	-1.0	-44.37	327.19	2.80	-41.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020280303	1	41	-1.0	-44.35	327.12	2.77	-41.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020280304	0	41	-1.0	-39.84	336.33	6.99	-32.85
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020280304	1	41	-1.0	-39.87	336.38	7.00	-32.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020280305	0	38	-1.0	-41.47	328.73	7.44	-34.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020280305	1	38	-1.0	-41.47	328.80	7.46	-34.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020280306	0	54	-1.0	-44.35	412.75	11.76	-32.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020280306	1	54	-1.0	-44.36	412.82	11.78	-32.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020280307	0	60	0.0	-70.55	435.14	10.25	-60.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020280307	1	60	0.0	-70.62	435.20	10.26	-60.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020280308	0	57	0.0	-71.53	411.12	10.16	-61.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020280308	1	57	0.0	-72.00	411.41	10.18	-61.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020280309	0	53	-1.0	-45.05	412.98	8.66	-36.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020280309	1	53	-1.0	-44.98	413.04	8.67	-36.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020280310	0	50	-1.0	-49.38	400.59	8.59	-40.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020280310	1	50	-1.0	-49.41	400.65	8.62	-40.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020280311	0	52	-1.0	-42.76	414.43	9.05	-33.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020280311	1	52	-1.0	-42.73	414.49	9.06	-33.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020280312	0	49	-1.0	-45.36	397.09	7.88	-37.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020280312	1	49	-1.0	-45.32	397.15	7.90	-37.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020280313	0	48	-1.0	-47.02	397.77	7.85	-39.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020280313	1	48	-1.0	-47.01	397.83	7.87	-39.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCOC)C1	REAL300020280314	0	51	-1.0	-41.56	408.31	5.74	-35.82
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCOC)C1	REAL300020280314	1	51	-1.0	-41.52	408.37	5.76	-35.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCOC)C1	REAL300020280315	0	48	-1.0	-45.17	374.02	4.52	-40.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCOC)C1	REAL300020280315	1	48	-1.0	-45.16	374.08	4.55	-40.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020280316	0	53	-1.0	-41.61	430.21	10.38	-31.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020280316	1	53	-1.0	-41.60	430.26	10.39	-31.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020280317	0	50	-1.0	-44.84	400.95	9.58	-35.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020280317	1	50	-1.0	-44.82	400.90	9.56	-35.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020280318	0	56	-1.0	-42.20	447.10	9.45	-32.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020280318	1	56	-1.0	-42.25	447.15	9.46	-32.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020280319	0	53	-1.0	-46.03	418.96	9.02	-37.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020280319	1	53	-1.0	-46.05	419.01	9.04	-37.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020280320	0	48	-1.0	-43.23	384.67	5.64	-37.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020280320	1	48	-1.0	-43.21	384.73	5.66	-37.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020280321	0	45	-1.0	-43.71	365.18	5.55	-38.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020280321	1	45	-1.0	-43.74	365.11	5.54	-38.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020280322	0	51	-1.0	-40.65	424.84	10.34	-30.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020280322	1	51	-1.0	-40.67	424.90	10.35	-30.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020280323	0	48	-1.0	-43.48	396.81	9.70	-33.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020280323	1	48	-1.0	-43.49	396.88	9.73	-33.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020280324	0	51	-1.0	-47.78	405.27	11.12	-36.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020280324	1	51	-1.0	-47.79	405.20	11.11	-36.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020280325	0	55	-1.0	-40.18	415.98	10.13	-30.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020280325	1	55	-1.0	-40.20	416.03	10.15	-30.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020280326	0	52	-1.0	-42.83	406.31	9.49	-33.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020280326	1	52	-1.0	-42.84	406.26	9.46	-33.38
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020280327	0	53	-1.0	-44.49	407.70	7.21	-37.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020280327	1	53	-1.0	-44.47	407.74	7.23	-37.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020280328	0	50	-1.0	-47.44	383.71	6.96	-40.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020280328	1	50	-1.0	-47.42	383.78	6.98	-40.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020280329	0	49	-1.0	-42.44	400.77	7.77	-34.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020280329	1	49	-1.0	-42.44	400.84	7.78	-34.66
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020280330	0	46	-1.0	-44.15	374.65	7.28	-36.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020280330	1	46	-1.0	-44.16	374.60	7.26	-36.90
C=CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280331	0	46	-1.0	-40.40	373.64	8.21	-32.19
C=CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280331	1	46	-1.0	-40.36	373.70	8.22	-32.14
C=CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280332	0	43	-1.0	-41.49	356.71	7.32	-34.17
C=CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280332	1	43	-1.0	-41.49	356.64	7.29	-34.20
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280333	0	50	-1.0	-42.05	401.44	10.25	-31.80
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280333	1	50	-1.0	-42.00	401.48	10.24	-31.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020280334	0	51	-1.0	-40.32	397.81	7.97	-32.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020280334	1	51	-1.0	-40.32	397.86	7.98	-32.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020280335	0	48	-1.0	-45.06	370.82	7.48	-37.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020280335	1	48	-1.0	-45.03	370.77	7.46	-37.57
C=CCN(CC(=C)Br)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280336	0	44	-1.0	-41.48	383.71	7.82	-33.66
C=CCN(CC(=C)Br)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280336	1	44	-1.0	-41.50	383.75	7.83	-33.67
C=CCN(CC(=C)Br)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280337	0	41	-1.0	-41.28	360.62	7.38	-33.90
C=CCN(CC(=C)Br)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280337	1	41	-1.0	-41.27	360.56	7.35	-33.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020280338	0	49	-1.0	-41.48	399.95	9.92	-31.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020280338	1	49	-1.0	-41.51	400.01	9.93	-31.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020280339	0	46	-1.0	-45.35	375.77	9.73	-35.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020280339	1	46	-1.0	-45.38	375.73	9.70	-35.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020280340	0	42	-1.0	-50.08	354.05	6.39	-43.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020280340	1	42	-1.0	-50.12	354.11	6.40	-43.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020280341	0	39	-1.0	-53.09	324.68	5.94	-47.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020280341	1	39	-1.0	-53.08	324.60	5.93	-47.15
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020280342	0	46	-1.0	-51.16	380.40	8.78	-42.38
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020280342	1	46	-1.0	-51.16	380.41	8.77	-42.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020280343	0	48	-1.0	-40.17	383.23	6.73	-33.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020280343	1	48	-1.0	-40.17	383.29	6.74	-33.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020280344	0	45	-1.0	-41.34	360.67	5.75	-35.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020280344	1	45	-1.0	-41.34	360.61	5.72	-35.62
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020280345	0	52	-1.0	-42.07	408.71	8.41	-33.66
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020280345	1	52	-1.0	-42.06	408.77	8.40	-33.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020280346	0	49	-1.0	-44.11	394.25	7.38	-36.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020280346	1	49	-1.0	-44.06	394.31	7.40	-36.66
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020280347	0	46	-1.0	-44.84	372.46	6.65	-38.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020280347	1	46	-1.0	-44.84	372.44	6.63	-38.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020280348	0	44	-1.0	-39.89	356.08	5.63	-34.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020280348	1	44	-1.0	-39.92	356.14	5.64	-34.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020280349	0	41	-1.0	-43.90	321.96	3.94	-39.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020280349	1	41	-1.0	-43.92	321.91	3.92	-40.00
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020280350	0	48	-1.0	-41.49	395.49	7.80	-33.69
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020280350	1	48	-1.0	-41.47	395.53	7.79	-33.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020280351	0	51	-1.0	-45.02	402.10	5.92	-39.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020280351	1	51	-1.0	-45.05	402.16	5.93	-39.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020280352	0	48	-1.0	-45.47	377.84	5.13	-40.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020280352	1	48	-1.0	-45.47	377.78	5.11	-40.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020280353	0	53	-1.0	-52.29	397.64	4.85	-47.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020280353	1	53	-1.0	-52.31	397.70	4.88	-47.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020280354	0	58	-1.0	-40.46	438.81	10.44	-30.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020280354	1	58	-1.0	-40.49	438.87	10.46	-30.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020280355	0	55	-1.0	-44.48	399.66	8.59	-35.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020280355	1	55	-1.0	-44.53	399.72	8.61	-35.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020280356	0	53	-1.0	-40.40	400.46	9.05	-31.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020280356	1	53	-1.0	-40.40	400.51	9.07	-31.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020280357	0	50	-1.0	-43.15	380.32	8.35	-34.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020280357	1	50	-1.0	-43.15	380.26	8.32	-34.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020280358	0	45	-1.0	-46.55	380.74	5.81	-40.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020280358	1	45	-1.0	-46.59	380.81	5.83	-40.76
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020280359	0	46	-1.0	-46.26	367.31	8.10	-38.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020280359	1	46	-1.0	-46.25	367.37	8.11	-38.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020280360	0	43	-1.0	-43.18	354.64	7.27	-35.91
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020280360	1	43	-1.0	-43.13	354.58	7.25	-35.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020280361	0	53	-1.0	-46.10	439.38	9.47	-36.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020280361	1	53	-1.0	-46.07	439.32	9.45	-36.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020280362	0	50	-1.0	-47.38	416.76	8.74	-38.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020280362	1	50	-1.0	-47.36	416.70	8.71	-38.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020280363	0	44	-1.0	-49.91	371.38	7.13	-42.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020280363	1	44	-1.0	-49.93	371.45	7.15	-42.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020280364	0	56	-1.0	-42.27	432.69	10.61	-31.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020280364	1	56	-1.0	-42.31	432.75	10.63	-31.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020280365	0	53	-1.0	-43.90	416.54	10.38	-33.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020280365	1	53	-1.0	-43.89	416.48	10.37	-33.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020280366	0	56	-1.0	-44.00	432.28	10.77	-33.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020280366	1	56	-1.0	-44.00	432.22	10.75	-33.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020280367	0	51	-1.0	-40.29	416.29	10.26	-30.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020280367	1	51	-1.0	-40.27	416.34	10.28	-29.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020280368	0	50	-1.0	-50.74	400.93	4.82	-45.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020280368	1	50	-1.0	-50.70	400.99	4.84	-45.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020280369	0	47	-1.0	-52.11	375.85	4.21	-47.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020280369	1	47	-1.0	-52.11	375.85	4.24	-47.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020280370	0	51	-1.0	-41.74	420.40	8.75	-32.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020280370	1	51	-1.0	-41.74	420.46	8.77	-32.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020280371	0	48	-1.0	-44.91	392.90	8.17	-36.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020280371	1	48	-1.0	-44.94	392.85	8.14	-36.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020280372	0	54	-1.0	-43.31	413.94	8.46	-34.85
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020280372	1	54	-1.0	-43.31	413.98	8.47	-34.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020280373	0	51	-1.0	-47.51	399.91	7.88	-39.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020280373	1	51	-1.0	-47.50	399.97	7.90	-39.60
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020280374	0	46	-1.0	-42.55	376.17	7.90	-34.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020280374	1	46	-1.0	-42.54	376.22	7.91	-34.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020280375	0	43	-1.0	-44.02	362.40	7.32	-36.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020280375	1	43	-1.0	-44.02	362.46	7.34	-36.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020280376	0	47	-1.0	-46.58	355.26	3.03	-43.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020280376	1	47	-1.0	-46.54	355.33	3.04	-43.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020280377	0	44	-1.0	-53.24	355.65	3.29	-49.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020280377	1	44	-1.0	-53.27	355.60	3.27	-50.00
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020280378	0	51	-1.0	-52.30	412.64	6.22	-46.08
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020280378	1	51	-1.0	-52.28	412.73	6.21	-46.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020280379	0	51	-1.0	-49.04	406.15	6.90	-42.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020280379	1	51	-1.0	-49.04	406.21	6.92	-42.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020280380	0	48	-1.0	-51.53	374.72	6.90	-44.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020280380	1	48	-1.0	-51.51	374.67	6.88	-44.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020280381	0	53	-1.0	-39.69	428.38	10.99	-28.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020280381	1	53	-1.0	-39.67	428.44	11.01	-28.66
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020280382	0	50	-1.0	-42.66	398.01	10.49	-32.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020280382	1	50	-1.0	-42.68	397.97	10.47	-32.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020280383	0	54	-1.0	-43.13	420.97	9.54	-33.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020280383	1	54	-1.0	-43.15	421.02	9.56	-33.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020280384	0	51	-1.0	-50.98	401.04	8.64	-42.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020280384	1	51	-1.0	-50.98	400.98	8.62	-42.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020280385	0	46	-1.0	-48.02	365.66	3.89	-44.13
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020280385	1	46	-1.0	-48.06	365.72	3.91	-44.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020280386	0	43	-1.0	-48.99	346.66	3.21	-45.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020280386	1	43	-1.0	-48.99	346.60	3.18	-45.81
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC(N)=O	REAL300020280387	0	50	-1.0	-49.15	392.95	5.82	-43.33
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC(N)=O	REAL300020280387	1	50	-1.0	-49.09	392.99	5.81	-43.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020280388	0	53	-1.0	-42.77	415.22	9.59	-33.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020280388	1	53	-1.0	-42.80	415.28	9.61	-33.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020280389	0	50	-1.0	-45.56	388.85	9.11	-36.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020280389	1	50	-1.0	-45.64	388.80	9.08	-36.56
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020280390	0	46	-1.0	-38.73	392.12	8.61	-30.12
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020280390	1	46	-1.0	-38.73	392.19	8.62	-30.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020280391	0	43	-1.0	-40.70	371.98	8.13	-32.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020280391	1	43	-1.0	-40.63	371.92	8.11	-32.52
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020280392	0	53	-1.0	-47.31	421.83	9.37	-37.94
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020280392	1	53	-1.0	-47.36	421.88	9.39	-37.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020280393	0	53	-1.0	-40.89	418.69	10.82	-30.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020280393	1	53	-1.0	-40.90	418.75	10.84	-30.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020280394	0	50	-1.0	-45.22	386.99	9.11	-36.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020280394	1	50	-1.0	-45.21	386.94	9.10	-36.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020280395	0	51	-1.0	-40.38	375.04	6.53	-33.85
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020280395	1	51	-1.0	-40.39	375.09	6.54	-33.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020280396	0	48	-1.0	-46.37	367.77	6.74	-39.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020280396	1	48	-1.0	-46.42	367.71	6.72	-39.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020280397	0	51	-1.0	-42.20	412.08	9.46	-32.74
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020280397	1	51	-1.0	-42.18	412.01	9.45	-32.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020280398	0	48	-1.0	-46.67	390.77	9.18	-37.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020280398	1	48	-1.0	-46.68	390.71	9.17	-37.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020280399	0	54	-1.0	-40.47	418.17	7.09	-33.38
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020280399	1	54	-1.0	-40.47	418.23	7.11	-33.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020280400	0	51	-1.0	-43.33	393.61	6.64	-36.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020280400	1	51	-1.0	-43.27	393.67	6.67	-36.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020280401	0	50	-1.0	-47.23	407.57	10.36	-36.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020280401	1	50	-1.0	-47.20	407.51	10.35	-36.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020280402	0	47	-1.0	-50.08	385.79	9.56	-40.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020280402	1	47	-1.0	-50.07	385.74	9.53	-40.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020280403	0	47	-1.0	-39.65	367.69	8.78	-30.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020280403	1	47	-1.0	-39.65	367.75	8.80	-30.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020280404	0	44	-1.0	-44.45	344.84	8.56	-35.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020280404	1	44	-1.0	-44.44	344.80	8.53	-35.91
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1C2CCCC21	REAL300020280405	0	51	-1.0	-41.76	403.88	10.77	-30.99
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1C2CCCC21	REAL300020280405	1	51	-1.0	-41.72	403.89	10.75	-30.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020280406	0	50	-1.0	-42.83	382.55	8.06	-34.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020280406	1	50	-1.0	-42.78	382.61	8.08	-34.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020280407	0	47	-1.0	-44.95	362.61	7.33	-37.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020280407	1	47	-1.0	-44.93	362.55	7.30	-37.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020280408	0	50	-1.0	-40.39	412.61	9.08	-31.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020280408	1	50	-1.0	-40.36	412.67	9.10	-31.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020280409	0	47	-1.0	-44.37	391.11	8.25	-36.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020280409	1	47	-1.0	-44.32	391.06	8.23	-36.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C2	REAL300020280410	0	41	-1.0	-40.96	328.78	7.30	-33.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C2	REAL300020280410	1	41	-1.0	-40.93	328.83	7.32	-33.61
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C2	REAL300020280411	0	45	-1.0	-43.21	361.11	8.71	-34.50
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C2	REAL300020280411	1	45	-1.0	-43.12	361.37	8.72	-34.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020280412	0	50	-1.0	-41.49	393.68	6.88	-34.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020280412	1	50	-1.0	-41.48	393.73	6.89	-34.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020280413	0	47	-1.0	-44.71	373.48	6.13	-38.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020280413	1	47	-1.0	-44.67	373.42	6.10	-38.57
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020280414	0	54	-1.0	-42.89	420.58	8.85	-34.04
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020280414	1	54	-1.0	-42.94	420.62	8.85	-34.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020280415	0	55	0.0	-73.95	408.10	7.22	-66.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020280415	1	55	0.0	-73.96	408.16	7.24	-66.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020280416	0	51	-1.0	-42.66	391.87	7.42	-35.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020280416	1	51	-1.0	-42.64	391.93	7.43	-35.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020280417	0	48	-1.0	-47.49	369.89	7.24	-40.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020280417	1	48	-1.0	-47.46	369.82	7.22	-40.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020280418	0	54	-1.0	-43.29	427.83	9.27	-34.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020280418	1	54	-1.0	-43.28	427.88	9.28	-34.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020280419	0	51	-1.0	-43.67	403.43	9.43	-34.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020280419	1	51	-1.0	-43.67	403.39	9.42	-34.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020280420	0	56	-1.0	-40.87	418.02	5.15	-35.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020280420	1	56	-1.0	-40.88	418.09	5.16	-35.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)C1	REAL300020280420	1	57	0.0	-63.60	422.46	7.28	-56.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020280421	0	53	-1.0	-45.62	394.99	4.70	-40.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020280421	1	53	-1.0	-45.64	395.07	4.72	-40.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)C1	REAL300020280421	1	54	0.0	-64.90	406.18	6.42	-58.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020280422	0	51	-1.0	-44.51	406.91	7.07	-37.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020280422	1	51	-1.0	-44.51	406.97	7.08	-37.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020280423	0	48	-1.0	-44.01	386.25	6.96	-37.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020280423	1	48	-1.0	-44.03	386.20	6.94	-37.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020280424	0	51	-1.0	-39.53	423.61	10.42	-29.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020280424	1	51	-1.0	-39.55	423.67	10.44	-29.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020280425	0	48	-1.0	-40.70	402.11	9.63	-31.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020280425	1	48	-1.0	-40.66	402.17	9.65	-31.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020280426	0	51	-1.0	-40.40	400.01	8.00	-32.40
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020280426	1	51	-1.0	-40.42	400.06	8.01	-32.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020280427	0	48	-1.0	-48.51	369.77	6.55	-41.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020280427	1	48	-1.0	-48.50	369.72	6.52	-41.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020280428	0	44	-1.0	-46.61	382.79	10.14	-36.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020280428	1	44	-1.0	-46.66	382.74	10.13	-36.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020280429	0	41	-1.0	-48.85	359.65	9.32	-39.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020280429	1	41	-1.0	-48.82	359.59	9.29	-39.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020280430	0	51	-1.0	-41.60	422.61	10.28	-31.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020280430	1	51	-1.0	-41.63	422.67	10.29	-31.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020280431	0	48	-1.0	-45.86	394.66	9.89	-35.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020280431	1	48	-1.0	-45.85	394.61	9.86	-35.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020280432	0	56	-1.0	-40.76	417.93	8.23	-32.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020280432	1	56	-1.0	-40.75	417.98	8.24	-32.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020280433	0	53	-1.0	-43.45	395.44	7.40	-36.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020280433	1	53	-1.0	-43.46	395.50	7.43	-36.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020280434	0	49	-1.0	-44.59	370.84	5.49	-39.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020280434	1	49	-1.0	-44.61	370.91	5.52	-39.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020280435	0	46	-1.0	-46.43	366.98	6.32	-40.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020280435	1	46	-1.0	-46.44	366.93	6.30	-40.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020280436	0	49	-1.0	-52.14	398.47	4.67	-47.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020280436	1	49	-1.0	-52.12	398.53	4.69	-47.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020280437	0	46	-1.0	-44.99	379.39	2.89	-42.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020280437	1	46	-1.0	-45.00	379.45	2.92	-42.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NCC1=C(C)C=CO1	REAL300020280438	0	43	-1.0	-41.81	365.76	8.33	-33.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NCC1=C(C)C=CO1	REAL300020280438	1	43	-1.0	-41.79	365.82	8.35	-33.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NCC1=C(C)C=CO1	REAL300020280439	0	40	-1.0	-43.44	344.31	7.57	-35.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NCC1=C(C)C=CO1	REAL300020280439	1	40	-1.0	-43.48	344.26	7.55	-35.93
C=C(C)CN1C(NCC2=C(C)C=CO2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020280440	0	47	-1.0	-43.33	396.73	10.37	-32.96
C=C(C)CN1C(NCC2=C(C)C=CO2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020280440	1	47	-1.0	-43.36	396.78	10.36	-33.00
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020280441	0	53	-1.0	-42.02	416.33	9.98	-32.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020280441	1	53	-1.0	-42.04	416.39	10.00	-32.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020280442	0	50	-1.0	-42.84	388.54	10.61	-32.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020280442	1	50	-1.0	-42.81	388.46	10.59	-32.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCCOCC1=CC=CC=C1	REAL300020280443	0	56	-1.0	-44.95	446.12	9.43	-35.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCCOCC1=CC=CC=C1	REAL300020280443	1	56	-1.0	-44.98	446.19	9.44	-35.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020280444	0	45	-1.0	-41.39	352.80	5.95	-35.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020280444	1	45	-1.0	-41.40	352.86	5.96	-35.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020280445	0	42	-1.0	-43.91	333.45	5.24	-38.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020280445	1	42	-1.0	-43.87	333.38	5.22	-38.65
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020280446	0	49	-1.0	-42.95	380.15	7.90	-35.05
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020280446	1	49	-1.0	-42.95	380.20	7.89	-35.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020280447	0	43	-1.0	-40.52	341.84	7.13	-33.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020280447	1	43	-1.0	-40.50	341.90	7.14	-33.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020280448	0	40	-1.0	-44.41	304.61	5.37	-39.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020280448	1	40	-1.0	-44.37	304.57	5.34	-39.03
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020280449	0	47	-1.0	-41.86	356.40	8.02	-33.84
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020280449	1	47	-1.0	-41.87	356.41	8.01	-33.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020280450	0	45	-1.0	-50.61	375.82	3.32	-47.29
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020280450	1	45	-1.0	-50.59	375.88	3.34	-47.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020280451	0	42	-1.0	-52.85	353.38	2.88	-49.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020280451	1	42	-1.0	-52.81	353.34	2.87	-49.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020280452	0	52	-1.0	-40.07	390.19	6.93	-33.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020280452	1	52	-1.0	-40.10	390.25	6.94	-33.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020280453	0	49	-1.0	-41.59	378.93	6.61	-34.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020280453	1	49	-1.0	-41.62	378.99	6.63	-34.99
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280454	0	45	-1.0	-40.09	358.91	7.26	-32.83
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280454	1	45	-1.0	-40.07	358.97	7.27	-32.80
C#C[C@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280455	0	42	-1.0	-45.80	337.16	7.54	-38.26
C#C[C@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280455	1	42	-1.0	-45.78	337.16	7.51	-38.27
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280456	0	49	-1.0	-44.27	395.38	10.42	-33.85
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280456	1	49	-1.0	-44.30	396.80	10.46	-33.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020280457	0	49	-1.0	-42.02	400.72	9.26	-32.76
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020280457	1	49	-1.0	-42.01	400.78	9.27	-32.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020280458	0	46	-1.0	-46.96	370.33	8.79	-38.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020280458	1	46	-1.0	-46.93	370.26	8.77	-38.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020280459	0	44	-1.0	-44.19	378.24	9.05	-35.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020280459	1	44	-1.0	-44.16	378.18	9.04	-35.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020280460	0	41	-1.0	-46.70	356.39	8.24	-38.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020280460	1	41	-1.0	-46.71	356.34	8.22	-38.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020280461	0	53	-1.0	-46.39	426.78	11.14	-35.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020280461	1	53	-1.0	-46.41	426.84	11.17	-35.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020280462	0	47	-2.0	-81.57	384.75	4.71	-76.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020280462	1	47	-2.0	-81.56	384.81	4.72	-76.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020280462	1	48	-1.0	-53.00	403.49	6.44	-46.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020280462	1	48	-1.0	-53.02	403.55	6.45	-46.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020280463	0	44	-2.0	-83.05	377.12	5.19	-77.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020280463	1	44	-2.0	-83.10	377.07	5.18	-77.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020280463	1	45	-1.0	-53.42	379.32	5.60	-47.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020280463	1	45	-1.0	-53.40	379.26	5.57	-47.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020280464	0	48	-1.0	-49.32	402.97	4.42	-44.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020280464	1	48	-1.0	-49.38	403.03	4.44	-44.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020280465	0	45	-1.0	-51.22	388.19	3.57	-47.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020280465	1	45	-1.0	-51.20	388.24	3.59	-47.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020280466	0	42	-1.0	-42.35	352.00	7.13	-35.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020280466	1	42	-1.0	-42.36	352.05	7.14	-35.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020280467	0	39	-1.0	-43.22	335.05	6.24	-36.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020280467	1	39	-1.0	-43.22	334.99	6.21	-37.01
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(F)F	REAL300020280468	0	46	-1.0	-43.41	378.11	9.06	-34.35
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(F)F	REAL300020280468	1	46	-1.0	-43.41	378.18	9.06	-34.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020280469	0	46	-1.0	-42.82	372.39	8.58	-34.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020280469	1	46	-1.0	-42.90	372.43	8.59	-34.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020280470	0	43	-1.0	-41.84	355.54	7.31	-34.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020280470	1	43	-1.0	-41.80	355.48	7.29	-34.51
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC(F)C1	REAL300020280471	0	50	-1.0	-41.30	407.68	10.05	-31.25
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC(F)C1	REAL300020280471	1	50	-1.0	-41.25	407.71	10.04	-31.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020280472	0	53	-1.0	-58.30	441.16	7.68	-50.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020280472	1	53	-1.0	-58.27	441.11	7.66	-50.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020280473	0	50	-1.0	-60.72	417.44	6.87	-53.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020280473	1	50	-1.0	-60.71	417.38	6.84	-53.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020280474	0	47	-1.0	-50.43	386.05	4.57	-45.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020280474	1	47	-1.0	-50.42	386.11	4.59	-45.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020280475	0	44	-1.0	-56.13	358.16	4.21	-51.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020280475	1	44	-1.0	-56.17	358.20	4.22	-51.95
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280476	0	45	-1.0	-40.86	379.79	6.21	-34.65
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280476	1	45	-1.0	-40.87	379.85	6.22	-34.65
C#CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280477	0	42	-1.0	-44.00	353.56	5.09	-38.91
C#CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280477	1	42	-1.0	-44.03	353.51	5.06	-38.97
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280478	0	49	-1.0	-43.50	400.74	8.51	-34.99
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280478	1	49	-1.0	-43.47	400.79	8.49	-34.98
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020280479	0	53	-1.0	-43.10	423.95	7.76	-35.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020280479	1	53	-1.0	-43.10	424.00	7.78	-35.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020280480	0	50	-1.0	-44.13	387.88	5.88	-38.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020280480	1	50	-1.0	-44.14	387.93	5.91	-38.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC1	REAL300020280481	0	50	-1.0	-40.81	402.95	7.49	-33.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC1	REAL300020280481	1	50	-1.0	-40.83	403.01	7.51	-33.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC1	REAL300020280482	0	47	-1.0	-44.58	368.62	6.77	-37.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC1	REAL300020280482	1	47	-1.0	-44.56	368.56	6.75	-37.81
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)CC1CC1	REAL300020280483	0	54	-1.0	-41.68	436.35	9.46	-32.22
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)CC1CC1	REAL300020280483	1	54	-1.0	-41.70	436.45	9.44	-32.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020280484	0	47	-1.0	-44.78	390.49	8.52	-36.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020280484	1	47	-1.0	-44.77	390.43	8.50	-36.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020280485	0	50	-1.0	-40.02	406.54	10.22	-29.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020280485	1	50	-1.0	-40.02	406.61	10.24	-29.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020280486	0	47	-1.0	-43.10	383.05	9.86	-33.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020280486	1	47	-1.0	-43.11	383.18	9.85	-33.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020280487	0	53	-1.0	-39.54	425.40	10.24	-29.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020280487	1	53	-1.0	-39.56	425.46	10.25	-29.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020280488	0	50	-1.0	-43.54	403.29	9.49	-34.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020280488	1	50	-1.0	-43.51	403.26	9.46	-34.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020280489	0	50	-1.0	-40.47	404.65	7.73	-32.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020280489	1	50	-1.0	-40.48	404.71	7.75	-32.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020280490	0	47	-1.0	-41.01	381.23	7.36	-33.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020280490	1	47	-1.0	-41.01	381.19	7.35	-33.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020280491	0	43	-1.0	-45.33	353.91	6.41	-38.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020280491	1	43	-1.0	-45.31	353.96	6.43	-38.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020280492	0	40	-1.0	-42.63	328.20	6.82	-35.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020280492	1	40	-1.0	-42.59	328.15	6.80	-35.79
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020280493	0	47	-1.0	-46.28	373.41	8.79	-37.49
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020280493	1	47	-1.0	-46.31	373.45	8.78	-37.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020280494	0	56	-1.0	-42.25	387.09	9.03	-33.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020280494	1	56	-1.0	-42.25	387.14	9.04	-33.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020280495	0	53	-1.0	-44.56	364.51	8.36	-36.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020280495	1	53	-1.0	-44.62	364.45	8.36	-36.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020280496	0	53	-1.0	-40.18	410.09	9.51	-30.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020280496	1	53	-1.0	-40.21	410.15	9.53	-30.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020280497	0	50	-1.0	-42.95	392.76	8.87	-34.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020280497	1	50	-1.0	-42.93	392.71	8.85	-34.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020280498	0	51	-1.0	-49.81	417.21	8.84	-40.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020280498	1	51	-1.0	-49.85	417.26	8.85	-41.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020280499	0	48	-1.0	-53.36	389.92	7.37	-45.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020280499	1	48	-1.0	-53.31	389.87	7.36	-45.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020280500	0	50	-1.0	-41.01	411.92	10.10	-30.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020280500	1	50	-1.0	-41.03	411.98	10.12	-30.91
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020280501	0	47	-1.0	-43.96	387.76	9.31	-34.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020280501	1	47	-1.0	-43.98	387.71	9.29	-34.69
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020280502	0	51	-1.0	-48.78	399.90	8.98	-39.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020280502	1	51	-1.0	-48.79	399.85	8.96	-39.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020280503	0	53	-1.0	-48.62	424.26	8.43	-40.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020280503	1	53	-1.0	-48.62	424.32	8.45	-40.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020280504	0	44	-1.0	-45.33	377.69	6.24	-39.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020280504	1	44	-1.0	-45.32	377.75	6.25	-39.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020280505	0	41	-1.0	-41.15	351.39	6.59	-34.56
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020280505	1	41	-1.0	-41.10	351.36	6.57	-34.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020280506	0	52	-1.0	-42.26	412.18	8.92	-33.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020280506	1	52	-1.0	-42.26	412.24	8.93	-33.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020280507	0	49	-1.0	-44.24	398.15	7.89	-36.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020280507	1	49	-1.0	-44.24	398.11	7.86	-36.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020280508	0	53	-1.0	-46.06	426.51	9.78	-36.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020280508	1	53	-1.0	-46.11	426.67	9.79	-36.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020280509	0	53	-1.0	-40.76	415.87	9.39	-31.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020280509	1	53	-1.0	-40.73	415.92	9.41	-31.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020280510	0	50	-1.0	-44.73	385.98	8.65	-36.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020280510	1	50	-1.0	-44.74	386.04	8.68	-36.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020280511	0	51	-1.0	-45.32	407.98	10.46	-34.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020280511	1	51	-1.0	-45.30	408.04	10.47	-34.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020280512	0	48	-1.0	-51.14	377.77	10.10	-41.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020280512	1	48	-1.0	-51.18	377.70	10.08	-41.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020280513	0	56	-1.0	-40.92	397.68	9.32	-31.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020280513	1	56	-1.0	-40.95	397.73	9.34	-31.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020280514	0	53	-1.0	-41.68	396.23	9.18	-32.50
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020280514	1	53	-1.0	-41.73	396.29	9.21	-32.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020280515	0	46	-1.0	-41.56	364.45	7.87	-33.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020280515	1	46	-1.0	-41.55	364.50	7.88	-33.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020280516	0	43	-1.0	-42.83	354.86	7.45	-35.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020280516	1	43	-1.0	-42.82	354.92	7.47	-35.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020280517	0	57	-1.0	-44.02	423.75	8.35	-35.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020280517	1	57	-1.0	-44.08	423.78	8.37	-35.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020280518	0	54	-1.0	-42.82	409.34	8.63	-34.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020280518	1	54	-1.0	-42.86	409.39	8.64	-34.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020280519	0	48	-1.0	-44.22	380.30	4.85	-39.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020280519	1	48	-1.0	-44.19	380.35	4.87	-39.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020280520	0	45	-1.0	-45.50	358.84	4.08	-41.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020280520	1	45	-1.0	-45.47	358.78	4.06	-41.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020280521	0	44	-1.0	-47.66	366.61	7.64	-40.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020280521	1	44	-1.0	-47.65	366.67	7.65	-40.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020280522	0	41	-1.0	-50.10	344.54	7.37	-42.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020280522	1	41	-1.0	-50.07	344.58	7.39	-42.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020280523	0	51	-1.0	-48.05	395.85	5.81	-42.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020280523	1	51	-1.0	-48.12	395.90	5.83	-42.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020280524	0	48	-1.0	-60.41	349.72	4.21	-56.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020280524	1	48	-1.0	-60.37	349.74	4.23	-56.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020280525	0	49	-1.0	-47.71	405.53	8.90	-38.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020280525	1	49	-1.0	-47.68	405.47	8.89	-38.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020280526	0	51	-1.0	-41.83	389.46	5.73	-36.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020280526	1	51	-1.0	-41.84	389.51	5.74	-36.10
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020280527	0	48	-1.0	-45.89	379.53	6.08	-39.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020280527	1	48	-1.0	-45.88	379.48	6.04	-39.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020280528	0	45	-1.0	-45.34	347.45	5.86	-39.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020280528	1	45	-1.0	-45.29	347.51	5.87	-39.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020280529	0	42	-1.0	-48.15	322.38	5.36	-42.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020280529	1	42	-1.0	-48.13	322.27	5.36	-42.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020280530	0	50	-1.0	-40.92	401.04	10.09	-30.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020280530	1	50	-1.0	-40.93	401.10	10.10	-30.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020280531	0	47	-1.0	-47.37	380.53	9.16	-38.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020280531	1	47	-1.0	-47.36	380.47	9.13	-38.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC)CC1	REAL300020280532	0	52	-1.0	-39.28	401.15	9.78	-29.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC)CC1	REAL300020280532	1	52	-1.0	-39.29	401.21	9.80	-29.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC)CC1	REAL300020280533	0	49	-1.0	-41.78	386.05	8.55	-33.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC)CC1	REAL300020280533	1	49	-1.0	-41.78	385.99	8.53	-33.25
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCC)CC1	REAL300020280534	0	56	-1.0	-41.83	426.81	11.40	-30.43
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCC)CC1	REAL300020280534	1	56	-1.0	-41.78	426.86	11.39	-30.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020280535	0	49	-1.0	-41.99	414.06	8.27	-33.72
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020280535	1	49	-1.0	-42.00	414.11	8.28	-33.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020280536	0	46	-1.0	-45.38	383.85	7.99	-37.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020280536	1	46	-1.0	-45.41	383.90	8.01	-37.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020280537	0	40	-1.0	-41.12	327.26	5.66	-35.46
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020280537	1	40	-1.0	-41.16	327.32	5.68	-35.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020280538	0	37	-1.0	-43.96	312.48	5.12	-38.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020280538	1	37	-1.0	-43.94	312.43	5.10	-38.84
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020280539	0	44	-1.0	-43.49	360.77	7.81	-35.68
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020280539	1	44	-1.0	-43.48	360.81	7.81	-35.67
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020280540	0	50	-1.0	-44.47	404.09	4.45	-40.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020280540	1	50	-1.0	-44.47	404.14	4.46	-40.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020280541	0	47	-1.0	-44.26	358.94	2.97	-41.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020280541	1	47	-1.0	-44.24	358.88	2.94	-41.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020280542	0	47	-1.0	-41.79	335.76	7.10	-34.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020280542	1	47	-1.0	-41.84	335.80	7.12	-34.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020280543	0	44	-1.0	-45.16	332.37	8.30	-36.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020280543	1	44	-1.0	-45.15	332.32	8.29	-36.86
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020280544	0	51	-1.0	-43.38	384.02	9.81	-33.57
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020280544	1	51	-1.0	-43.39	383.94	9.77	-33.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020280545	0	47	-1.0	-39.94	364.32	8.33	-31.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020280545	1	47	-1.0	-39.93	364.38	8.34	-31.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020280546	0	44	-1.0	-44.10	340.38	7.12	-36.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020280546	1	44	-1.0	-44.10	340.32	7.09	-37.01
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020280547	0	51	-1.0	-42.54	393.61	9.74	-32.80
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020280547	1	51	-1.0	-42.46	393.64	9.73	-32.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020280548	0	50	-1.0	-41.95	409.48	7.47	-34.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020280548	1	50	-1.0	-41.93	409.42	7.45	-34.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020280549	0	47	-1.0	-44.25	383.42	6.85	-37.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020280549	1	47	-1.0	-44.24	383.36	6.83	-37.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020280550	0	46	-1.0	-39.13	370.22	7.91	-31.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020280550	1	46	-1.0	-39.15	370.28	7.93	-31.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020280551	0	43	-1.0	-41.32	348.16	7.38	-33.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020280551	1	43	-1.0	-41.32	348.10	7.36	-33.96
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020280552	0	50	-1.0	-41.13	402.19	10.21	-30.92
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020280552	1	50	-1.0	-41.08	402.23	10.20	-30.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020280553	0	52	-1.0	-45.84	385.11	1.47	-44.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020280553	1	52	-1.0	-45.89	385.16	1.48	-44.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020280554	0	51	-1.0	-44.18	418.74	4.02	-40.16
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020280554	1	51	-1.0	-44.18	418.80	4.04	-40.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020280555	0	48	-1.0	-47.27	388.69	4.01	-43.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020280555	1	48	-1.0	-47.28	388.75	4.03	-43.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020280556	0	51	-1.0	-49.29	398.12	5.90	-43.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020280556	1	51	-1.0	-49.33	398.16	5.92	-43.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020280557	0	48	-1.0	-52.07	372.80	5.63	-46.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020280557	1	48	-1.0	-52.13	372.82	5.64	-46.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020280558	0	49	-1.0	-42.51	394.06	8.87	-33.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020280558	1	49	-1.0	-42.54	394.12	8.88	-33.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020280559	0	46	-1.0	-44.34	378.11	8.06	-36.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020280559	1	46	-1.0	-44.36	378.17	8.08	-36.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020280560	0	54	-1.0	-44.90	425.68	7.57	-37.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020280560	1	54	-1.0	-44.87	425.74	7.59	-37.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020280561	0	51	-1.0	-43.94	405.79	7.93	-36.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020280561	1	51	-1.0	-43.96	405.83	7.95	-36.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C2=CC=C(F)C=C2)C1	REAL300020280562	0	51	-1.0	-43.07	422.83	8.66	-34.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C2=CC=C(F)C=C2)C1	REAL300020280562	1	51	-1.0	-43.03	422.89	8.69	-34.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C2C=CC(Cl)=CN12	REAL300020280563	0	46	-1.0	-43.75	397.11	9.48	-34.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C2C=CC(Cl)=CN12	REAL300020280563	1	46	-1.0	-43.74	397.05	9.47	-34.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020280564	0	47	-1.0	-40.07	367.73	4.81	-35.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020280564	1	47	-1.0	-40.03	367.78	4.83	-35.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020280565	0	44	-1.0	-43.60	345.54	4.57	-39.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020280565	1	44	-1.0	-43.53	345.48	4.55	-38.98
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020280566	0	51	-1.0	-43.83	385.60	5.98	-37.85
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020280566	1	51	-1.0	-43.79	385.64	5.96	-37.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020280567	0	54	-1.0	-41.42	392.59	5.68	-35.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020280567	1	54	-1.0	-41.44	392.64	5.69	-35.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020280568	0	51	-1.0	-44.40	366.03	5.19	-39.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020280568	1	51	-1.0	-44.40	366.01	5.19	-39.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020280569	0	50	-1.0	-47.19	392.85	10.02	-37.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020280569	1	50	-1.0	-47.17	392.79	10.00	-37.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020280570	0	54	-1.0	-39.91	415.43	10.98	-28.93
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020280570	1	54	-1.0	-39.87	415.49	11.00	-28.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020280571	0	51	-1.0	-43.16	404.33	10.17	-32.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020280571	1	51	-1.0	-43.20	404.27	10.14	-33.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020280572	0	55	-1.0	-42.67	423.86	7.22	-35.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020280572	1	55	-1.0	-42.67	423.92	7.24	-35.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020280573	0	52	-1.0	-44.55	400.11	6.74	-37.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020280573	1	52	-1.0	-44.58	400.17	6.76	-37.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C(C)C1CCC1	REAL300020280574	0	52	-1.0	-40.48	390.22	9.05	-31.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C(C)C1CCC1	REAL300020280574	1	52	-1.0	-40.53	390.28	9.07	-31.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C(C)C1CCC1	REAL300020280575	0	49	-1.0	-43.38	378.93	7.04	-36.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C(C)C1CCC1	REAL300020280575	1	49	-1.0	-43.36	378.87	7.02	-36.34
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C(C)C1CCC1	REAL300020280576	0	56	-1.0	-41.98	419.96	11.11	-30.87
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C(C)C1CCC1	REAL300020280576	1	56	-1.0	-41.98	419.98	11.10	-30.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020280577	0	54	-1.0	-44.90	425.68	7.57	-37.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020280577	1	54	-1.0	-44.87	425.74	7.59	-37.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020280578	0	51	-1.0	-43.94	405.79	7.93	-36.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020280578	1	51	-1.0	-43.96	405.83	7.95	-36.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020280579	0	41	-1.0	-38.30	366.97	7.99	-30.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020280579	1	41	-1.0	-38.35	367.02	8.00	-30.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020280580	0	38	-1.0	-40.04	339.97	7.77	-32.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020280580	1	38	-1.0	-40.04	339.92	7.76	-32.28
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020280581	0	49	-1.0	-40.74	395.27	8.86	-31.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020280581	1	49	-1.0	-40.74	395.30	8.87	-31.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020280582	0	46	-1.0	-43.33	380.71	9.23	-34.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020280582	1	46	-1.0	-43.30	380.66	9.20	-34.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020280583	0	51	-1.0	-45.48	411.34	6.79	-38.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020280583	1	51	-1.0	-45.45	411.40	6.81	-38.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020280584	0	48	-1.0	-50.77	383.65	6.26	-44.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020280584	1	48	-1.0	-50.76	383.62	6.23	-44.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020280585	0	44	-1.0	-40.56	352.39	6.82	-33.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020280585	1	44	-1.0	-40.61	352.45	6.83	-33.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020280586	0	41	-1.0	-44.69	333.38	6.12	-38.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020280586	1	41	-1.0	-44.68	333.32	6.10	-38.58
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC12CC2	REAL300020280587	0	48	-1.0	-42.48	378.58	8.97	-33.51
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC12CC2	REAL300020280587	1	48	-1.0	-42.40	378.64	8.96	-33.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020280588	0	56	-1.0	-43.22	426.05	11.23	-31.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020280588	1	56	-1.0	-43.25	426.10	11.25	-32.00
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020280589	0	48	-1.0	-41.96	389.08	8.35	-33.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020280589	1	48	-1.0	-41.96	389.14	8.37	-33.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020280590	0	45	-1.0	-44.78	355.53	8.29	-36.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020280590	1	45	-1.0	-44.74	355.51	8.28	-36.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020280591	0	48	-1.0	-47.09	384.14	4.87	-42.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020280591	1	48	-1.0	-47.13	384.19	4.88	-42.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020280592	0	45	-1.0	-47.75	356.19	4.71	-43.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020280592	1	45	-1.0	-47.80	356.13	4.69	-43.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1C	REAL300020280593	0	55	-1.0	-38.99	436.36	10.99	-28.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1C	REAL300020280593	1	55	-1.0	-39.01	436.42	11.00	-28.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1C	REAL300020280594	0	52	-1.0	-42.07	411.50	10.17	-31.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1C	REAL300020280594	1	52	-1.0	-42.06	411.43	10.14	-31.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020280595	0	49	-1.0	-40.44	388.75	8.53	-31.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020280595	1	49	-1.0	-40.50	388.82	8.55	-31.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020280596	0	46	-1.0	-44.05	362.08	8.28	-35.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020280596	1	46	-1.0	-44.10	362.14	8.29	-35.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020280597	0	43	-1.0	-42.07	343.60	4.23	-37.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020280597	1	43	-1.0	-42.09	343.65	4.24	-37.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020280598	0	40	-1.0	-47.05	326.85	3.66	-43.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020280598	1	40	-1.0	-47.08	326.79	3.64	-43.44
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020280599	0	47	-1.0	-45.29	381.14	6.46	-38.83
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020280599	1	47	-1.0	-45.23	381.28	6.45	-38.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020280600	0	44	-1.0	-45.73	357.05	4.78	-40.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020280600	1	44	-1.0	-45.74	357.13	4.81	-40.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020280601	0	41	-1.0	-47.91	337.87	4.36	-43.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020280601	1	41	-1.0	-47.86	337.82	4.34	-43.52
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN=NN1C	REAL300020280602	0	48	-1.0	-47.04	394.86	6.92	-40.12
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN=NN1C	REAL300020280602	1	48	-1.0	-47.03	394.92	6.90	-40.13
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020280603	0	47	-1.0	-39.46	383.27	7.38	-32.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020280603	1	47	-1.0	-39.43	383.33	7.39	-32.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020280604	0	44	-1.0	-42.22	357.04	6.89	-35.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020280604	1	44	-1.0	-42.24	356.98	6.87	-35.37
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC1CC1	REAL300020280605	0	51	-1.0	-43.32	411.18	9.00	-34.32
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC1CC1	REAL300020280605	1	51	-1.0	-43.27	411.20	9.00	-34.27
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020280606	0	56	-1.0	-38.97	430.61	8.49	-30.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020280606	1	56	-1.0	-39.00	430.66	8.51	-30.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020280607	0	53	-1.0	-42.53	401.15	8.49	-34.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020280607	1	53	-1.0	-42.57	401.22	8.50	-34.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020280608	0	50	-1.0	-50.28	406.10	4.59	-45.69
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020280608	1	50	-1.0	-50.28	406.15	4.61	-45.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020280609	0	47	-1.0	-49.85	367.02	2.78	-47.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020280609	1	47	-1.0	-49.86	367.09	2.79	-47.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020280610	0	51	-1.0	-46.48	412.45	7.00	-39.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020280610	1	51	-1.0	-46.49	412.51	7.02	-39.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020280611	0	48	-1.0	-48.73	388.07	6.52	-42.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020280611	1	48	-1.0	-48.73	388.05	6.50	-42.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2[C@@H](C)C1	REAL300020280612	0	50	-1.0	-43.75	386.46	10.79	-32.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2[C@@H](C)C1	REAL300020280612	1	50	-1.0	-43.73	386.40	10.78	-32.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1F	REAL300020280613	0	49	-1.0	-43.89	399.36	9.87	-34.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1F	REAL300020280613	1	49	-1.0	-43.83	399.31	9.86	-33.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020280614	0	54	-1.0	-42.20	426.27	7.78	-34.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020280614	1	54	-1.0	-42.18	426.32	7.80	-34.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020280615	0	51	-1.0	-47.52	387.37	5.66	-41.86
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C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020280617	1	44	-1.0	-46.33	362.69	7.68	-38.65
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C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020280619	0	42	-1.0	-44.60	364.87	7.24	-37.36
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C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020280633	0	48	-1.0	-46.52	387.17	2.52	-44.00
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C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020280637	1	50	-1.0	-40.93	401.10	10.10	-30.83
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C#CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020280642	1	49	-1.0	-43.92	402.82	7.87	-36.05
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020280643	0	46	-1.0	-49.13	374.34	7.58	-41.55
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020280643	1	46	-1.0	-49.17	374.28	7.56	-41.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020280644	0	47	-1.0	-40.87	379.49	7.96	-32.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020280644	1	47	-1.0	-40.90	379.55	7.97	-32.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020280645	0	44	-1.0	-42.30	356.05	7.16	-35.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020280645	1	44	-1.0	-42.34	355.99	7.15	-35.19
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCSCC1	REAL300020280646	0	51	-1.0	-42.47	399.15	10.10	-32.37
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCSCC1	REAL300020280646	1	51	-1.0	-42.50	399.19	10.09	-32.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020280647	0	48	-1.0	-49.97	401.70	5.80	-44.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020280647	1	48	-1.0	-50.04	401.66	5.79	-44.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020280648	0	45	-1.0	-51.81	377.98	4.97	-46.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020280648	1	45	-1.0	-51.80	377.92	4.94	-46.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020280649	0	55	-1.0	-41.86	430.93	11.33	-30.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020280649	1	55	-1.0	-41.88	431.00	11.34	-30.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020280650	0	52	-1.0	-43.89	411.49	10.89	-33.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020280650	1	52	-1.0	-43.87	411.44	10.88	-32.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020280651	0	46	-1.0	-41.50	386.68	9.03	-32.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020280651	1	46	-1.0	-41.51	386.74	9.04	-32.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020280652	0	43	-1.0	-43.27	360.49	8.52	-34.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020280652	1	43	-1.0	-43.24	360.43	8.50	-34.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020280653	0	50	-1.0	-44.91	411.95	9.76	-35.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020280653	1	50	-1.0	-44.91	411.90	9.74	-35.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020280654	0	52	-1.0	-43.86	398.74	9.87	-33.99
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020280654	1	52	-1.0	-43.84	398.80	9.89	-33.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020280655	0	49	-1.0	-42.63	381.49	9.15	-33.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020280655	1	49	-1.0	-42.63	381.53	9.18	-33.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020280656	0	49	-1.0	-45.80	399.73	7.89	-37.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020280656	1	49	-1.0	-45.83	399.78	7.90	-37.93
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020280657	0	46	-1.0	-50.85	374.58	7.29	-43.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020280657	1	46	-1.0	-50.94	374.60	7.29	-43.65
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C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280659	1	47	-1.0	-42.98	397.89	9.92	-33.06
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1=O	REAL300020280660	0	46	-1.0	-46.72	374.18	6.45	-40.27
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1=O	REAL300020280660	1	46	-1.0	-46.72	374.24	6.46	-40.26
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1=O	REAL300020280661	0	43	-1.0	-44.50	361.51	6.44	-38.06
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1=O	REAL300020280661	1	43	-1.0	-44.46	361.46	6.43	-38.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)C1	REAL300020280662	0	44	-1.0	-41.96	351.51	5.52	-36.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)C1	REAL300020280662	1	44	-1.0	-41.93	351.56	5.54	-36.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)C1	REAL300020280663	0	41	-1.0	-44.58	329.16	5.49	-39.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)C1	REAL300020280663	1	41	-1.0	-44.56	329.11	5.48	-39.08
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)C1	REAL300020280664	0	48	-1.0	-42.72	382.33	7.60	-35.12
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)C1	REAL300020280664	1	48	-1.0	-42.65	382.38	7.59	-35.06
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280665	0	54	-1.0	-41.48	441.32	9.49	-31.99
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280665	1	54	-1.0	-41.45	441.37	9.50	-31.95
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280666	0	51	-1.0	-43.87	409.94	8.72	-35.15
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280666	1	51	-1.0	-43.91	409.88	8.71	-35.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020280667	0	50	-1.0	-40.19	392.19	9.42	-30.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020280667	1	50	-1.0	-40.16	392.23	9.44	-30.72
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020280668	0	47	-1.0	-44.95	384.18	8.94	-36.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020280668	1	47	-1.0	-44.96	384.12	8.94	-36.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020280669	0	47	-1.0	-40.67	380.50	9.16	-31.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020280669	1	47	-1.0	-40.64	380.55	9.18	-31.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020280670	0	44	-1.0	-43.04	362.55	8.52	-34.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020280670	1	44	-1.0	-43.11	362.49	8.49	-34.62
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020280671	0	51	-1.0	-42.10	417.90	11.39	-30.71
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020280671	1	51	-1.0	-42.10	417.94	11.38	-30.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020280672	0	47	-1.0	-45.38	368.15	6.47	-38.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020280672	1	47	-1.0	-45.38	368.21	6.49	-38.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020280673	0	44	-1.0	-46.19	334.68	5.38	-40.81
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020280673	1	44	-1.0	-46.20	334.57	5.35	-40.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020280674	0	51	-1.0	-51.40	400.23	4.78	-46.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020280674	1	51	-1.0	-51.45	400.29	4.79	-46.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020280675	0	49	-1.0	-44.68	374.33	7.94	-36.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020280675	1	49	-1.0	-44.71	374.39	7.96	-36.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020280676	0	46	-1.0	-45.75	369.36	8.45	-37.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020280676	1	46	-1.0	-45.76	369.49	8.47	-37.29
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020280677	0	56	-1.0	-40.02	442.42	11.54	-28.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020280677	1	56	-1.0	-40.00	442.47	11.55	-28.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020280678	0	53	-1.0	-46.17	398.07	9.37	-36.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020280678	1	53	-1.0	-46.14	398.13	9.39	-36.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020280679	0	57	-1.0	-39.32	407.57	9.41	-29.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020280679	1	57	-1.0	-39.30	407.62	9.43	-29.87
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020280680	0	54	-1.0	-42.02	384.96	9.16	-32.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020280680	1	54	-1.0	-42.06	385.04	9.18	-32.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC)CC1	REAL300020280681	0	50	-1.0	-38.72	394.62	7.16	-31.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC)CC1	REAL300020280681	1	50	-1.0	-38.71	394.68	7.17	-31.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC)CC1	REAL300020280682	0	47	-1.0	-42.96	363.27	6.80	-36.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC)CC1	REAL300020280682	1	47	-1.0	-42.91	363.22	6.79	-36.12
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CC)CC1	REAL300020280683	0	54	-1.0	-40.63	426.61	9.20	-31.43
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CC)CC1	REAL300020280683	1	54	-1.0	-40.62	426.65	9.19	-31.43
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020280684	0	53	-1.0	-39.72	398.90	9.71	-30.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020280684	1	53	-1.0	-39.69	398.96	9.72	-29.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020280685	0	50	-1.0	-44.44	353.54	8.79	-35.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020280685	1	50	-1.0	-44.41	353.47	8.77	-35.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020280686	0	47	-1.0	-42.60	379.68	9.51	-33.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020280686	1	47	-1.0	-42.61	379.62	9.49	-33.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020280687	0	44	-1.0	-43.80	363.94	8.73	-35.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020280687	1	44	-1.0	-43.80	363.88	8.71	-35.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020280688	0	47	-1.0	-48.63	383.13	6.01	-42.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020280688	1	47	-1.0	-48.71	383.19	6.03	-42.68
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020280689	0	44	-1.0	-47.03	361.26	5.86	-41.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020280689	1	44	-1.0	-47.01	361.20	5.85	-41.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020280690	0	50	-1.0	-42.29	405.52	9.21	-33.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020280690	1	50	-1.0	-42.29	405.57	9.23	-33.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020280691	0	47	-1.0	-44.56	383.54	8.49	-36.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020280691	1	47	-1.0	-44.56	383.49	8.47	-36.09
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020280692	0	47	-1.0	-47.06	392.85	8.52	-38.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020280692	1	47	-1.0	-47.09	392.91	8.54	-38.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020280693	0	44	-1.0	-49.98	371.38	7.73	-42.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020280693	1	44	-1.0	-49.97	371.44	7.76	-42.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300020280694	0	51	-1.0	-46.38	406.32	7.18	-39.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300020280694	1	51	-1.0	-46.40	406.36	7.20	-39.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020280695	0	54	-1.0	-41.87	421.27	10.84	-31.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020280695	1	54	-1.0	-41.90	421.32	10.85	-31.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020280696	0	51	-1.0	-45.21	396.34	10.43	-34.78
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020280696	1	51	-1.0	-45.25	396.29	10.41	-34.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020280697	0	57	-1.0	-41.76	408.45	8.47	-33.29
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020280697	1	57	-1.0	-41.77	408.50	8.50	-33.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020280698	0	54	-1.0	-44.56	379.72	8.40	-36.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020280698	1	54	-1.0	-44.57	379.78	8.42	-36.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020280699	0	51	-1.0	-47.88	394.09	5.45	-42.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020280699	1	51	-1.0	-47.92	394.15	5.47	-42.45
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020280700	0	48	-1.0	-50.51	377.84	4.85	-45.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020280700	1	48	-1.0	-50.48	377.79	4.83	-45.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CCC)C1	REAL300020280701	0	47	-1.0	-39.73	376.68	8.48	-31.25
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CCC)C1	REAL300020280701	1	47	-1.0	-39.73	376.74	8.49	-31.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CCC)C1	REAL300020280702	0	44	-1.0	-42.19	355.31	7.76	-34.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CCC)C1	REAL300020280702	1	44	-1.0	-42.18	355.26	7.74	-34.44
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(=CCC)C1	REAL300020280703	0	51	-1.0	-41.33	416.40	10.75	-30.58
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(=CCC)C1	REAL300020280703	1	51	-1.0	-41.30	416.45	10.74	-30.56
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020280704	0	48	-1.0	-46.82	405.02	2.76	-44.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020280704	1	48	-1.0	-46.78	405.08	2.77	-44.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020280705	0	45	-1.0	-49.88	372.97	2.15	-47.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020280705	1	45	-1.0	-49.92	373.03	2.17	-47.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020280706	0	50	-1.0	-41.28	391.08	5.66	-35.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020280706	1	50	-1.0	-41.29	391.13	5.68	-35.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020280707	0	47	-1.0	-43.45	377.30	4.49	-38.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020280707	1	47	-1.0	-43.47	377.24	4.46	-39.01
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020280708	0	54	-1.0	-43.52	419.53	7.25	-36.27
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020280708	1	54	-1.0	-43.55	419.58	7.23	-36.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020280709	0	46	-1.0	-43.82	374.36	8.22	-35.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020280709	1	46	-1.0	-43.82	374.42	8.24	-35.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020280710	0	43	-1.0	-47.29	335.47	6.40	-40.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020280710	1	43	-1.0	-47.29	335.41	6.38	-40.91
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280711	0	53	0.0	-69.44	390.90	8.33	-61.11
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280711	1	53	0.0	-68.52	399.35	9.20	-59.32
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280711	1	53	0.0	-69.45	390.96	8.34	-61.11
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280711	1	53	0.0	-68.48	399.42	9.22	-59.26
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280712	0	50	0.0	-68.81	368.52	7.61	-61.20
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280712	1	50	0.0	-64.94	382.29	8.49	-56.45
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280712	1	50	0.0	-68.81	368.47	7.59	-61.22
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280712	1	50	0.0	-64.96	382.24	8.47	-56.49
C#CCN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)C=N1	REAL300020280713	0	42	-1.0	-49.04	365.41	8.80	-40.24
C#CCN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)C=N1	REAL300020280713	1	42	-1.0	-49.02	365.35	8.78	-40.24
C#CCN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)C=N1	REAL300020280714	0	39	-1.0	-51.75	343.66	7.99	-43.76
C#CCN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)C=N1	REAL300020280714	1	39	-1.0	-51.73	343.60	7.97	-43.76
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(=C)C)C=N1	REAL300020280715	0	46	-1.0	-50.83	399.72	10.76	-40.07
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(=C)C)C=N1	REAL300020280715	1	46	-1.0	-50.80	399.80	10.78	-40.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020280716	0	57	0.0	-66.74	415.87	9.55	-57.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020280716	1	57	0.0	-66.73	415.93	9.56	-57.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020280717	0	54	0.0	-70.10	394.88	8.73	-61.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020280717	1	54	0.0	-70.11	394.93	8.76	-61.35
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020280718	0	53	-1.0	-40.63	379.55	8.22	-32.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020280718	1	53	-1.0	-40.63	379.62	8.23	-32.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020280719	0	50	-1.0	-44.87	358.05	7.87	-37.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020280719	1	50	-1.0	-44.86	358.00	7.87	-36.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCOC1	REAL300020280720	0	47	-1.0	-40.90	360.50	5.86	-35.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCOC1	REAL300020280720	1	47	-1.0	-40.92	360.56	5.88	-35.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCOC1	REAL300020280721	0	44	-1.0	-44.51	331.06	5.91	-38.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCOC1	REAL300020280721	1	44	-1.0	-44.55	331.01	5.90	-38.65
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CCOC1	REAL300020280722	0	51	-1.0	-43.41	392.06	7.94	-35.47
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CCOC1	REAL300020280722	1	51	-1.0	-43.37	392.19	7.91	-35.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020280723	0	53	-1.0	-40.83	390.35	9.72	-31.11
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020280723	1	53	-1.0	-40.82	390.41	9.74	-31.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020280724	0	50	-1.0	-47.15	368.92	9.18	-37.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020280724	1	50	-1.0	-47.12	368.90	9.15	-37.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020280725	0	52	-1.0	-46.86	427.51	6.08	-40.78
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020280725	1	52	-1.0	-46.89	427.57	6.10	-40.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020280726	0	49	-1.0	-49.47	400.83	5.41	-44.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020280726	1	49	-1.0	-49.48	400.89	5.43	-44.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020280727	0	53	-1.0	-41.86	418.12	10.92	-30.94
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020280727	1	53	-1.0	-41.91	418.16	10.94	-30.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020280728	0	50	-1.0	-45.59	395.58	10.56	-35.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020280728	1	50	-1.0	-45.61	395.52	10.55	-35.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020280729	0	46	-1.0	-43.64	391.74	7.29	-36.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020280729	1	46	-1.0	-43.62	391.80	7.31	-36.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020280730	0	43	-1.0	-47.49	370.04	6.67	-40.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020280730	1	43	-1.0	-47.48	369.99	6.65	-40.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOCCOC	REAL300020280731	0	53	-1.0	-40.78	426.30	6.25	-34.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOCCOC	REAL300020280731	1	53	-1.0	-40.75	426.36	6.26	-34.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOCCOC	REAL300020280732	0	50	-1.0	-44.44	395.04	5.71	-38.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOCCOC	REAL300020280732	1	50	-1.0	-44.47	395.09	5.73	-38.74
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280733	0	51	-1.0	-42.16	408.97	8.15	-34.01
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280733	1	51	-1.0	-42.18	409.03	8.17	-34.01
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280734	0	48	-1.0	-48.45	378.60	8.02	-40.43
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280734	1	48	-1.0	-48.44	378.55	8.00	-40.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020280735	0	52	-1.0	-51.68	398.19	5.35	-46.33
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020280735	1	52	-1.0	-51.68	398.25	5.38	-46.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020280736	0	55	-1.0	-40.05	426.16	7.99	-32.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020280736	1	55	-1.0	-40.05	426.21	8.01	-32.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020280737	0	52	-1.0	-42.38	395.74	7.63	-34.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020280737	1	52	-1.0	-42.35	395.79	7.64	-34.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020280738	0	53	-1.0	-46.06	420.89	7.84	-38.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020280738	1	53	-1.0	-46.04	420.95	7.85	-38.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020280739	0	50	-1.0	-48.83	404.41	6.70	-42.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020280739	1	50	-1.0	-48.82	404.47	6.72	-42.10
C=CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020280740	0	47	-1.0	-41.32	369.92	8.47	-32.85
C=CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020280740	1	47	-1.0	-41.34	369.99	8.49	-32.85
C=CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020280741	0	44	-1.0	-44.96	345.62	8.21	-36.75
C=CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020280741	1	44	-1.0	-45.01	345.57	8.18	-36.83
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(=C)C)C1	REAL300020280742	0	51	-1.0	-41.81	412.70	10.75	-31.06
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(=C)C)C1	REAL300020280742	1	51	-1.0	-41.76	412.74	10.74	-31.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020280743	0	55	-1.0	-40.98	415.64	8.56	-32.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020280743	1	55	-1.0	-41.03	415.70	8.57	-32.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020280744	0	52	-1.0	-43.12	400.97	7.99	-35.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020280744	1	52	-1.0	-43.12	401.03	8.01	-35.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020280745	0	53	-1.0	-40.26	394.87	7.46	-32.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020280745	1	53	-1.0	-40.23	394.92	7.47	-32.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020280746	0	50	-1.0	-43.59	369.99	7.82	-35.77
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020280746	1	50	-1.0	-43.61	369.94	7.80	-35.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020280747	0	45	-1.0	-40.87	371.41	4.67	-36.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020280747	1	45	-1.0	-40.93	371.47	4.69	-36.24
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020280748	0	42	-1.0	-42.05	343.88	4.88	-37.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020280748	1	42	-1.0	-42.12	343.82	4.85	-37.27
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020280749	0	49	-1.0	-42.77	403.47	6.79	-35.98
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020280749	1	49	-1.0	-42.81	403.50	6.78	-36.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020280750	0	53	0.0	-64.31	404.28	9.04	-55.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020280750	1	53	0.0	-62.46	407.22	9.13	-53.33
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020280750	1	52	-1.0	-40.38	383.57	5.96	-34.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020280750	1	52	-1.0	-40.39	383.62	5.98	-34.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020280751	0	50	0.0	-59.37	386.26	8.38	-50.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020280751	1	50	0.0	-66.64	375.56	8.92	-57.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020280751	1	50	0.0	-59.36	386.21	8.36	-51.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020280751	1	50	0.0	-66.64	375.51	8.90	-57.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020280751	1	49	-1.0	-45.53	355.14	5.27	-40.26
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020280751	1	49	-1.0	-45.55	355.11	5.25	-40.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020280752	0	55	-1.0	-40.05	425.52	6.18	-33.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020280752	1	55	-1.0	-40.09	425.58	6.19	-33.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020280753	0	52	-1.0	-43.34	384.80	4.73	-38.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020280753	1	52	-1.0	-43.35	384.85	4.76	-38.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020280754	0	52	-1.0	-44.83	406.82	9.31	-35.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020280754	1	52	-1.0	-44.90	406.87	9.34	-35.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020280755	0	47	-1.0	-42.35	392.61	10.13	-32.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020280755	1	47	-1.0	-42.38	392.55	10.10	-32.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020280756	0	54	-1.0	-48.11	417.56	10.45	-37.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020280756	1	54	-1.0	-48.09	417.50	10.43	-37.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020280757	0	46	-1.0	-40.07	379.02	8.23	-31.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020280757	1	46	-1.0	-40.06	379.08	8.24	-31.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020280758	0	43	-1.0	-43.71	352.88	7.76	-35.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020280758	1	43	-1.0	-43.72	352.93	7.76	-35.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020280759	0	49	-1.0	-41.63	369.25	8.73	-32.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020280759	1	49	-1.0	-41.62	369.33	8.74	-32.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020280760	0	46	-1.0	-41.28	357.28	7.94	-33.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020280760	1	46	-1.0	-41.29	357.34	7.97	-33.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020280761	0	59	-1.0	-40.14	445.60	10.60	-29.54
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020280761	1	59	-1.0	-40.14	445.66	10.62	-29.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020280762	0	56	-1.0	-45.11	415.85	10.41	-34.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020280762	1	56	-1.0	-45.13	415.90	10.42	-34.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020280763	0	47	-1.0	-47.02	404.33	11.58	-35.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020280763	1	47	-1.0	-47.03	404.27	11.55	-35.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020280764	0	43	-1.0	-40.26	358.22	7.36	-32.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020280764	1	43	-1.0	-40.25	358.28	7.38	-32.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020280765	0	40	-1.0	-44.50	329.68	7.07	-37.43
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020280765	1	40	-1.0	-44.45	329.63	7.06	-37.39
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1C	REAL300020280766	0	47	-1.0	-42.84	385.75	9.32	-33.52
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1C	REAL300020280766	1	47	-1.0	-42.84	385.80	9.31	-33.53
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280767	0	53	-1.0	-40.82	437.44	10.78	-30.04
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280767	1	53	-1.0	-40.79	437.49	10.80	-29.99
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280768	0	50	-1.0	-43.08	412.72	10.38	-32.70
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280768	1	50	-1.0	-43.09	412.67	10.35	-32.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020280769	0	47	-1.0	-45.97	396.92	10.85	-35.12
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020280769	1	47	-1.0	-46.02	396.86	10.83	-35.19
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020280770	0	58	-1.0	-39.05	422.42	10.50	-28.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020280770	1	58	-1.0	-39.03	422.48	10.51	-28.52
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020280771	0	55	-1.0	-42.57	394.87	9.16	-33.41
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020280771	1	55	-1.0	-42.63	394.94	9.17	-33.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020280772	0	50	-1.0	-39.88	386.93	9.04	-30.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020280772	1	50	-1.0	-39.86	386.98	9.06	-30.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020280773	0	47	-1.0	-45.51	364.58	8.67	-36.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020280773	1	47	-1.0	-45.43	364.47	8.65	-36.78
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020280774	0	54	-1.0	-41.15	423.32	11.20	-29.95
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020280774	1	54	-1.0	-41.14	423.46	11.19	-29.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(CC)C1	REAL300020280775	0	50	-1.0	-39.58	382.55	7.17	-32.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(CC)C1	REAL300020280775	1	50	-1.0	-39.53	382.61	7.19	-32.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(CC)C1	REAL300020280776	0	47	-1.0	-43.67	346.19	6.02	-37.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(CC)C1	REAL300020280776	1	47	-1.0	-43.63	346.14	6.00	-37.63
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC(CC)C1	REAL300020280777	0	54	-1.0	-40.93	422.22	9.66	-31.27
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC(CC)C1	REAL300020280777	1	54	-1.0	-40.99	422.34	9.63	-31.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020280778	0	59	-1.0	-40.31	415.97	10.83	-29.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020280778	1	59	-1.0	-40.32	416.03	10.85	-29.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020280779	0	56	-1.0	-44.40	390.41	10.98	-33.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020280779	1	56	-1.0	-44.39	390.44	11.00	-33.39
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020280780	0	52	-1.0	-58.10	385.02	6.13	-51.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020280780	1	52	-1.0	-58.12	385.07	6.15	-51.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020280781	0	47	-1.0	-39.97	373.57	6.26	-33.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020280781	1	47	-1.0	-40.00	373.63	6.27	-33.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020280782	0	44	-1.0	-42.08	357.16	5.63	-36.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020280782	1	44	-1.0	-42.03	357.12	5.61	-36.42
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020280783	0	51	-1.0	-41.79	401.05	9.17	-32.62
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020280783	1	51	-1.0	-41.74	401.09	9.16	-32.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020280784	0	47	-1.0	-42.90	385.66	8.14	-34.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020280784	1	47	-1.0	-42.90	385.59	8.10	-34.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020280785	0	54	-1.0	-40.12	407.43	10.46	-29.66
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020280785	1	54	-1.0	-40.13	407.49	10.48	-29.65
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020280786	0	51	-1.0	-45.27	379.58	10.11	-35.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020280786	1	51	-1.0	-45.23	379.50	10.09	-35.14
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280787	0	54	-1.0	-50.38	430.14	10.01	-40.37
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280787	1	54	-1.0	-50.40	430.19	10.04	-40.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020280788	0	51	-1.0	-47.24	417.57	3.41	-43.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020280788	1	51	-1.0	-47.28	417.62	3.43	-43.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020280789	0	48	-1.0	-49.29	402.74	2.54	-46.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020280789	1	48	-1.0	-49.31	402.79	2.56	-46.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020280790	0	49	-1.0	-42.82	405.66	9.96	-32.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020280790	1	49	-1.0	-42.80	405.71	9.97	-32.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020280791	0	46	-1.0	-44.37	385.43	9.28	-35.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020280791	1	46	-1.0	-44.36	385.37	9.26	-35.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020280792	0	52	-1.0	-43.68	407.54	1.78	-41.90
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020280792	1	52	-1.0	-43.68	407.60	1.79	-41.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020280793	0	49	-1.0	-44.86	391.63	1.32	-43.54
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020280793	1	49	-1.0	-44.80	391.69	1.35	-43.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020280794	0	44	-1.0	-39.92	337.60	5.70	-34.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020280794	1	44	-1.0	-39.93	337.67	5.70	-34.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020280795	0	41	-1.0	-42.60	319.66	4.93	-37.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020280795	1	41	-1.0	-42.58	319.61	4.91	-37.67
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC[C@H]1C	REAL300020280796	0	48	-1.0	-41.34	371.82	7.65	-33.69
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC[C@H]1C	REAL300020280796	1	48	-1.0	-41.31	371.76	7.64	-33.67
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280797	0	54	-1.0	-49.13	428.79	9.73	-39.40
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280797	1	54	-1.0	-49.14	428.84	9.75	-39.39
C=CCCC1(C#N)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)CC1	REAL300020280798	0	51	-1.0	-50.86	405.17	9.28	-41.58
C=CCCC1(C#N)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)CC1	REAL300020280798	1	51	-1.0	-50.88	405.26	9.30	-41.58
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280799	0	53	-1.0	-40.68	421.53	10.84	-29.84
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280799	1	53	-1.0	-40.70	421.59	10.86	-29.84
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280800	0	50	-1.0	-44.11	402.63	10.10	-34.01
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280800	1	50	-1.0	-44.12	402.59	10.06	-34.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020280801	0	56	-1.0	-41.74	394.95	10.32	-31.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020280801	1	56	-1.0	-41.76	395.00	10.33	-31.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020280802	0	53	-1.0	-45.79	379.56	10.15	-35.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020280802	1	53	-1.0	-45.84	379.44	10.10	-35.74
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280803	0	50	-1.0	-40.57	406.53	10.22	-30.35
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280803	1	50	-1.0	-40.56	406.59	10.24	-30.32
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280804	0	47	-1.0	-43.30	387.63	9.49	-33.81
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280804	1	47	-1.0	-43.27	387.59	9.45	-33.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020280805	0	48	-1.0	-46.54	398.88	6.71	-39.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020280805	1	48	-1.0	-46.51	398.83	6.70	-39.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020280806	0	48	-1.0	-44.42	388.06	6.07	-38.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020280806	1	48	-1.0	-44.42	388.12	6.08	-38.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020280807	0	45	-1.0	-48.98	359.24	5.61	-43.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020280807	1	45	-1.0	-48.99	359.29	5.63	-43.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020280808	0	53	-1.0	-40.04	387.63	9.15	-30.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020280808	1	53	-1.0	-40.02	387.68	9.17	-30.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020280809	0	50	-1.0	-43.30	377.01	8.57	-34.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020280809	1	50	-1.0	-43.27	376.95	8.54	-34.73
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020280810	0	48	-1.0	-50.41	398.36	2.58	-47.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020280810	1	48	-1.0	-50.41	398.42	2.59	-47.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020280811	0	45	-1.0	-54.00	373.94	2.30	-51.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020280811	1	45	-1.0	-53.97	374.01	2.32	-51.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020280812	0	46	-1.0	-40.74	390.52	8.29	-32.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020280812	1	46	-1.0	-40.78	390.58	8.30	-32.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020280813	0	43	-1.0	-43.19	364.65	7.66	-35.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020280813	1	43	-1.0	-43.19	364.71	7.68	-35.51
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020280814	0	43	-1.0	-47.96	362.77	7.82	-40.14
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020280814	1	43	-1.0	-47.98	362.90	7.84	-40.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020280815	0	45	-1.0	-43.65	370.55	7.62	-36.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020280815	1	45	-1.0	-43.65	370.61	7.64	-36.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020280816	0	42	-1.0	-46.08	350.23	6.83	-39.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020280816	1	42	-1.0	-46.04	350.17	6.80	-39.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020280817	0	49	-1.0	-43.41	392.10	5.84	-37.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020280817	1	49	-1.0	-43.42	392.15	5.86	-37.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020280818	0	46	-1.0	-43.89	382.45	4.66	-39.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020280818	1	46	-1.0	-43.87	382.39	4.64	-39.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020280819	0	56	-1.0	-44.43	442.72	2.66	-41.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020280819	1	56	-1.0	-44.42	442.78	2.68	-41.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020280819	1	57	0.0	-70.40	446.70	5.03	-65.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020280820	0	53	-1.0	-48.08	415.54	2.29	-45.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020280820	1	53	-1.0	-48.12	415.61	2.30	-45.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020280820	1	54	0.0	-66.49	427.44	4.02	-62.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020280821	0	50	-1.0	-42.46	387.65	5.21	-37.25
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020280821	1	50	-1.0	-42.42	387.71	5.22	-37.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020280822	0	47	-1.0	-43.92	361.77	4.70	-39.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020280822	1	47	-1.0	-43.91	361.72	4.67	-39.24
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020280823	0	54	-1.0	-42.63	415.38	7.11	-35.52
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020280823	1	54	-1.0	-42.59	415.39	7.09	-35.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020280824	0	54	-1.0	-49.29	412.77	9.28	-40.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020280824	1	54	-1.0	-49.26	412.82	9.29	-39.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020280825	0	51	-1.0	-51.97	380.95	8.76	-43.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020280825	1	51	-1.0	-51.93	380.97	8.76	-43.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020280826	0	50	-1.0	-53.82	377.84	3.39	-50.43
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020280826	1	50	-1.0	-53.83	377.89	3.40	-50.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020280827	0	47	-1.0	-59.74	342.82	3.34	-56.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020280827	1	47	-1.0	-59.69	342.74	3.34	-56.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020280828	0	50	-1.0	-45.56	389.91	9.04	-36.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020280828	1	50	-1.0	-45.56	389.97	9.07	-36.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020280829	0	47	-1.0	-41.33	370.54	7.09	-34.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020280829	1	47	-1.0	-41.30	370.60	7.10	-34.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020280830	0	44	-1.0	-41.92	355.12	5.73	-36.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020280830	1	44	-1.0	-41.94	355.07	5.70	-36.24
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020280831	0	51	-1.0	-42.46	402.76	8.42	-34.04
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020280831	1	51	-1.0	-42.46	402.75	8.42	-34.04
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280832	0	45	-1.0	-42.07	366.79	7.59	-34.48
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280832	1	45	-1.0	-42.05	366.85	7.61	-34.44
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280833	0	42	-1.0	-47.21	334.87	7.63	-39.58
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280833	1	42	-1.0	-47.20	334.82	7.63	-39.57
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020280834	0	49	-1.0	-44.31	389.70	9.94	-34.37
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020280834	1	49	-1.0	-44.21	389.74	9.92	-34.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020280835	0	48	-1.0	-46.79	397.40	8.32	-38.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020280835	1	48	-1.0	-46.80	397.46	8.34	-38.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020280836	0	49	-1.0	-42.12	416.31	10.11	-32.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020280836	1	49	-1.0	-42.15	416.37	10.12	-32.03
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020280837	0	46	-1.0	-45.41	388.39	9.22	-36.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020280837	1	46	-1.0	-45.40	388.45	9.24	-36.16
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020280838	0	53	-1.0	-43.91	399.87	6.41	-37.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020280838	1	53	-1.0	-43.94	399.94	6.43	-37.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020280839	0	50	-1.0	-42.58	396.48	5.56	-37.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020280839	1	50	-1.0	-42.56	396.42	5.54	-37.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020280840	0	51	-1.0	-49.88	411.37	4.68	-45.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020280840	1	51	-1.0	-49.87	411.43	4.69	-45.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020280841	0	48	-1.0	-52.68	377.09	4.22	-48.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020280841	1	48	-1.0	-52.61	377.14	4.24	-48.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020280842	0	42	-1.0	-43.32	372.41	7.73	-35.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020280842	1	42	-1.0	-43.38	372.46	7.76	-35.62
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280843	0	50	-1.0	-40.93	419.76	10.30	-30.63
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280843	1	50	-1.0	-40.90	419.82	10.31	-30.59
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280844	0	47	-1.0	-42.38	386.96	9.56	-32.82
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280844	1	47	-1.0	-42.36	386.90	9.55	-32.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020280845	0	54	-1.0	-42.37	410.48	4.49	-37.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020280845	1	54	-1.0	-42.33	410.53	4.50	-37.83
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020280846	0	51	-1.0	-44.37	377.80	3.31	-41.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020280846	1	51	-1.0	-44.39	377.57	3.33	-41.06
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020280847	0	55	0.0	-63.23	432.02	8.32	-54.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020280847	1	55	0.0	-63.21	431.97	8.31	-54.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020280848	0	52	0.0	-63.51	410.39	7.24	-56.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020280848	1	52	0.0	-63.42	410.33	7.22	-56.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020280849	0	50	-1.0	-41.08	387.39	9.44	-31.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020280849	1	50	-1.0	-41.10	387.45	9.46	-31.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020280850	0	47	-1.0	-43.64	366.30	9.08	-34.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020280850	1	47	-1.0	-43.59	366.36	9.09	-34.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020280851	0	54	-1.0	-43.05	430.20	7.95	-35.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020280851	1	54	-1.0	-43.06	430.26	7.97	-35.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020280852	0	51	-1.0	-45.40	410.72	7.27	-38.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020280852	1	51	-1.0	-45.37	410.66	7.25	-38.12
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020280853	0	56	-1.0	-41.02	419.84	6.23	-34.79
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020280853	1	56	-1.0	-40.99	419.89	6.25	-34.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020280854	0	53	-1.0	-42.86	403.50	5.29	-37.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020280854	1	53	-1.0	-42.82	403.56	5.32	-37.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020280855	0	54	-1.0	-44.27	423.54	7.69	-36.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020280855	1	54	-1.0	-44.27	423.59	7.72	-36.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020280856	0	49	-1.0	-43.04	393.12	4.09	-38.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020280856	1	49	-1.0	-43.02	392.96	4.09	-38.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020280857	0	46	-1.0	-46.61	353.13	2.40	-44.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020280857	1	46	-1.0	-46.59	353.07	2.37	-44.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020280858	0	54	-1.0	-40.69	437.25	11.51	-29.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020280858	1	54	-1.0	-40.68	437.31	11.52	-29.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020280859	0	51	-1.0	-45.34	405.47	11.06	-34.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020280859	1	51	-1.0	-45.33	405.42	11.03	-34.30
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020280860	0	44	-1.0	-39.67	364.98	8.37	-31.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020280860	1	44	-1.0	-39.66	365.04	8.38	-31.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020280861	0	41	-1.0	-41.50	343.43	7.21	-34.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020280861	1	41	-1.0	-41.52	343.37	7.19	-34.33
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020280862	0	48	-1.0	-43.61	401.13	10.14	-33.47
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020280862	1	48	-1.0	-43.58	401.17	10.13	-33.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020280863	0	48	-1.0	-40.11	375.39	6.78	-33.33
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020280863	1	48	-1.0	-40.09	375.45	6.79	-33.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020280864	0	45	-1.0	-41.90	359.01	6.21	-35.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020280864	1	45	-1.0	-41.91	358.95	6.19	-35.72
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020280865	0	52	-1.0	-41.91	413.48	9.22	-32.69
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020280865	1	52	-1.0	-41.89	413.54	9.21	-32.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020280866	0	52	-1.0	-53.84	405.48	4.81	-49.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020280866	1	52	-1.0	-53.88	405.54	4.84	-49.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020280867	0	49	-1.0	-56.42	380.20	4.55	-51.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020280867	1	49	-1.0	-56.45	380.21	4.56	-51.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020280868	0	56	-1.0	-40.03	408.64	9.88	-30.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020280868	1	56	-1.0	-40.03	408.70	9.89	-30.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020280869	0	53	-1.0	-43.04	381.16	9.65	-33.39
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020280869	1	53	-1.0	-43.10	381.12	9.69	-33.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020280870	0	51	-1.0	-41.98	392.09	8.89	-33.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020280870	1	51	-1.0	-42.01	392.15	8.90	-33.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020280871	0	48	-1.0	-43.05	377.12	8.29	-34.76
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020280871	1	48	-1.0	-43.07	377.19	8.32	-34.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCCCCC)C1	REAL300020280872	0	61	-1.0	-40.11	469.24	11.80	-28.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCCCCC)C1	REAL300020280872	1	61	-1.0	-40.12	469.28	11.82	-28.30
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCCCCC)C1	REAL300020280873	0	58	-1.0	-44.88	444.81	11.33	-33.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCCCCC)C1	REAL300020280873	1	58	-1.0	-44.89	444.94	11.35	-33.54
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCCC)C1	REAL300020280874	0	55	-1.0	-39.72	427.90	10.27	-29.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCCC)C1	REAL300020280874	1	55	-1.0	-39.72	427.95	10.29	-29.43
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCCC)C1	REAL300020280875	0	52	-1.0	-44.90	396.27	9.85	-35.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCCC)C1	REAL300020280875	1	52	-1.0	-44.89	396.22	9.84	-35.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020280876	0	55	-1.0	-45.72	416.73	9.37	-36.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020280876	1	55	-1.0	-45.74	416.78	9.39	-36.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020280877	0	53	-1.0	-49.83	415.17	7.45	-42.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020280877	1	53	-1.0	-49.85	415.23	7.48	-42.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020280878	0	52	-1.0	-40.24	400.71	8.86	-31.38
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020280878	1	52	-1.0	-40.20	400.77	8.86	-31.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020280879	0	49	-1.0	-41.33	386.96	7.54	-33.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020280879	1	49	-1.0	-41.31	386.91	7.51	-33.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020280880	0	52	-1.0	-45.48	405.35	3.61	-41.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020280880	1	52	-1.0	-45.47	405.41	3.63	-41.84
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020280881	0	51	-1.0	-42.45	412.21	8.18	-34.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020280881	1	51	-1.0	-42.44	412.26	8.19	-34.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020280882	0	48	-1.0	-41.79	386.42	7.44	-34.35
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020280882	1	48	-1.0	-41.80	386.48	7.46	-34.34
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020280883	0	50	-1.0	-48.69	414.26	8.42	-40.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020280883	1	50	-1.0	-48.65	414.32	8.45	-40.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC)C1	REAL300020280884	0	46	-1.0	-41.86	367.79	8.03	-33.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC)C1	REAL300020280884	1	46	-1.0	-41.82	367.84	8.04	-33.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC)C1	REAL300020280885	0	43	-1.0	-46.91	345.87	7.23	-39.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC)C1	REAL300020280885	1	43	-1.0	-46.90	345.81	7.20	-39.70
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(CC)C1	REAL300020280886	0	50	-1.0	-43.69	391.98	10.45	-33.24
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(CC)C1	REAL300020280886	1	50	-1.0	-43.70	392.02	10.44	-33.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC)(OCC)CC1	REAL300020280887	0	57	-1.0	-40.32	445.27	8.10	-32.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC)(OCC)CC1	REAL300020280887	1	57	-1.0	-40.31	445.33	8.12	-32.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC)(OCC)CC1	REAL300020280888	0	54	-1.0	-43.48	419.41	7.49	-35.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC)(OCC)CC1	REAL300020280888	1	54	-1.0	-43.46	419.46	7.51	-35.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2(C(=O)OC)CCC2)CC1	REAL300020280889	0	54	-1.0	-43.34	429.35	9.29	-34.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2(C(=O)OC)CCC2)CC1	REAL300020280889	1	54	-1.0	-43.33	429.41	9.32	-34.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020280890	0	44	-1.0	-41.77	357.09	7.85	-33.92
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020280890	1	44	-1.0	-41.76	357.15	7.87	-33.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020280891	0	41	-1.0	-45.12	337.57	7.07	-38.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020280891	1	41	-1.0	-45.07	337.51	7.05	-38.02
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020280892	0	48	-1.0	-41.88	390.38	9.98	-31.90
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020280892	1	48	-1.0	-41.83	390.41	9.97	-31.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020280893	0	48	-1.0	-39.42	374.03	6.37	-33.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020280893	1	48	-1.0	-39.43	374.09	6.38	-33.05
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020280894	0	45	-1.0	-44.54	350.61	6.54	-38.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020280894	1	45	-1.0	-44.51	350.56	6.52	-37.99
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020280895	0	52	-1.0	-43.33	405.03	8.57	-34.76
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020280895	1	52	-1.0	-43.36	405.07	8.56	-34.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020280896	0	50	-1.0	-45.41	402.77	6.88	-38.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020280896	1	50	-1.0	-45.45	402.82	6.90	-38.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020280897	0	47	-1.0	-45.43	385.76	6.06	-39.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020280897	1	47	-1.0	-45.40	385.82	6.08	-39.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020280898	0	56	-1.0	-41.26	434.07	8.39	-32.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020280898	1	56	-1.0	-41.25	434.13	8.40	-32.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020280899	0	53	-1.0	-46.71	401.25	8.13	-38.58
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020280899	1	53	-1.0	-46.75	401.32	8.14	-38.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020280900	0	56	-1.0	-41.85	425.85	8.35	-33.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020280900	1	56	-1.0	-41.86	425.90	8.37	-33.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020280901	0	53	-1.0	-45.14	404.43	8.89	-36.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020280901	1	53	-1.0	-45.17	404.50	8.90	-36.27
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020280902	0	53	-1.0	-47.43	412.36	9.26	-38.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020280902	1	53	-1.0	-47.47	412.41	9.26	-38.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020280903	0	47	-1.0	-43.10	383.48	7.90	-35.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020280903	1	47	-1.0	-43.15	383.54	7.92	-35.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020280904	0	44	-1.0	-43.68	366.83	7.28	-36.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020280904	1	44	-1.0	-43.65	366.78	7.26	-36.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020280905	0	49	-1.0	-41.57	396.96	10.66	-30.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020280905	1	49	-1.0	-41.55	397.02	10.67	-30.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020280906	0	46	-1.0	-48.04	375.82	9.88	-38.16
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020280906	1	46	-1.0	-48.02	375.77	9.85	-38.17
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020280907	0	49	-1.0	-43.70	397.24	8.26	-35.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020280907	1	49	-1.0	-43.68	397.30	8.28	-35.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020280908	0	46	-1.0	-47.96	380.22	7.72	-40.24
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020280908	1	46	-1.0	-47.99	380.17	7.70	-40.29
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020280909	0	51	-1.0	-44.05	430.81	10.63	-33.42
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020280909	1	51	-1.0	-44.05	430.87	10.64	-33.41
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280910	0	48	-1.0	-48.00	404.34	10.17	-37.83
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280910	1	48	-1.0	-48.01	404.29	10.16	-37.85
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(=C)C	REAL300020280911	0	48	-1.0	-45.39	418.74	9.48	-35.91
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(=C)C	REAL300020280911	1	48	-1.0	-45.35	418.67	9.45	-35.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020280912	0	52	-1.0	-45.81	410.13	9.50	-36.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020280912	1	52	-1.0	-45.80	410.07	9.48	-36.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020280913	0	43	-1.0	-41.34	362.76	8.21	-33.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020280913	1	43	-1.0	-41.37	362.81	8.22	-33.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COCCOC)C1	REAL300020280914	0	55	-1.0	-43.78	426.57	4.43	-39.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COCCOC)C1	REAL300020280914	1	55	-1.0	-43.74	426.63	4.45	-39.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COCCOC)C1	REAL300020280915	0	52	-1.0	-45.91	403.46	3.61	-42.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COCCOC)C1	REAL300020280915	1	52	-1.0	-45.91	403.52	3.63	-42.28
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020280916	0	54	-1.0	-42.96	426.55	9.98	-32.98
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020280916	1	54	-1.0	-42.93	426.61	9.99	-32.94
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(=C)C)C1	REAL300020280917	0	51	-1.0	-54.68	396.92	8.56	-46.12
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(=C)C)C1	REAL300020280917	1	51	-1.0	-54.71	396.98	8.59	-46.12
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020280918	0	50	-1.0	-43.93	404.96	4.88	-39.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020280918	1	50	-1.0	-43.95	405.02	4.89	-39.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020280919	0	47	-1.0	-46.72	369.00	3.19	-43.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020280919	1	47	-1.0	-46.70	368.94	3.17	-43.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020280920	0	46	-1.0	-39.82	388.25	8.81	-31.01
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020280920	1	46	-1.0	-39.83	388.31	8.82	-31.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020280921	0	43	-1.0	-42.10	366.79	8.05	-34.05
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020280921	1	43	-1.0	-42.12	366.73	8.02	-34.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020280922	0	51	-1.0	-44.38	403.17	7.80	-36.58
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020280922	1	51	-1.0	-44.34	403.23	7.81	-36.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020280923	0	48	-1.0	-45.47	385.58	7.75	-37.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020280923	1	48	-1.0	-45.38	385.52	7.72	-37.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020280924	0	50	-1.0	-43.22	391.28	7.99	-35.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020280924	1	50	-1.0	-43.17	391.34	8.01	-35.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020280925	0	47	-1.0	-43.84	380.74	8.24	-35.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020280925	1	47	-1.0	-43.81	380.67	8.22	-35.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020280926	0	49	-1.0	-40.94	391.74	8.71	-32.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020280926	1	49	-1.0	-40.94	391.79	8.72	-32.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020280927	0	46	-1.0	-44.64	365.29	8.72	-35.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020280927	1	46	-1.0	-44.64	365.37	8.73	-35.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020280928	0	59	-1.0	-41.99	454.74	9.22	-32.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020280928	1	59	-1.0	-41.99	454.80	9.24	-32.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020280929	0	56	-1.0	-43.11	438.02	8.47	-34.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020280929	1	56	-1.0	-43.12	438.08	8.49	-34.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020280930	0	48	-1.0	-45.05	390.89	5.83	-39.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020280930	1	48	-1.0	-45.06	390.94	5.85	-39.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020280931	0	45	-1.0	-47.21	372.80	5.64	-41.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020280931	1	45	-1.0	-47.20	372.74	5.62	-41.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020280932	0	47	-1.0	-40.72	369.10	9.30	-31.42
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020280932	1	47	-1.0	-40.68	369.16	9.32	-31.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020280933	0	44	-1.0	-46.37	350.58	8.53	-37.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020280933	1	44	-1.0	-46.34	350.52	8.52	-37.82
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020280934	0	51	-1.0	-41.95	406.40	10.67	-31.28
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020280934	1	51	-1.0	-41.91	406.42	10.67	-31.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020280935	0	50	-1.0	-41.61	395.41	7.14	-34.47
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020280935	1	50	-1.0	-41.64	395.47	7.16	-34.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020280936	0	47	-1.0	-42.72	379.31	6.24	-36.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020280936	1	47	-1.0	-42.69	379.26	6.21	-36.48
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020280937	0	54	-1.0	-43.28	428.99	9.23	-34.05
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020280937	1	54	-1.0	-43.21	429.03	9.22	-33.99
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020280938	0	48	-1.0	-49.44	399.33	8.40	-41.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020280938	1	48	-1.0	-49.46	399.39	8.42	-41.04
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020280939	0	45	-1.0	-51.31	362.79	7.31	-44.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020280939	1	45	-1.0	-51.30	362.85	7.34	-43.96
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020280940	0	53	-1.0	-41.18	379.74	10.62	-30.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020280940	1	53	-1.0	-41.22	379.79	10.63	-30.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020280941	0	50	-1.0	-43.19	363.16	9.34	-33.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020280941	1	50	-1.0	-43.17	363.10	9.31	-33.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020280942	0	46	-1.0	-44.75	370.06	7.19	-37.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020280942	1	46	-1.0	-44.75	370.12	7.20	-37.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020280943	0	43	-1.0	-48.57	348.86	6.83	-41.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020280943	1	43	-1.0	-48.58	348.86	6.80	-41.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020280944	0	46	-1.0	-44.75	370.06	7.19	-37.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020280944	1	46	-1.0	-44.75	370.12	7.20	-37.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020280945	0	43	-1.0	-48.57	348.86	6.83	-41.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020280945	1	43	-1.0	-48.58	348.86	6.80	-41.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1C	REAL300020280946	0	52	-1.0	-44.90	412.24	6.10	-38.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1C	REAL300020280946	1	52	-1.0	-44.91	412.18	6.08	-38.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020280947	0	48	-1.0	-40.87	380.06	4.68	-36.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020280947	1	48	-1.0	-40.87	380.12	4.69	-36.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020280948	0	45	-1.0	-41.51	359.84	3.62	-37.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020280948	1	45	-1.0	-41.53	359.79	3.60	-37.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020280949	0	43	-1.0	-39.74	353.56	7.19	-32.55
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020280949	1	43	-1.0	-39.70	353.61	7.21	-32.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020280950	0	40	-1.0	-40.99	333.47	6.58	-34.41
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020280950	1	40	-1.0	-40.99	333.42	6.55	-34.44
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(F)(F)CC1C	REAL300020280951	0	47	-1.0	-40.53	388.01	8.51	-32.02
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(F)(F)CC1C	REAL300020280951	1	47	-1.0	-40.47	388.05	8.50	-31.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020280952	0	49	-1.0	-42.59	398.67	8.64	-33.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020280952	1	49	-1.0	-42.60	398.73	8.66	-33.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020280953	0	46	-1.0	-43.48	380.95	7.67	-35.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020280953	1	46	-1.0	-43.50	381.01	7.69	-35.81
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020280954	0	54	-1.0	-42.08	419.43	7.58	-34.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020280954	1	54	-1.0	-42.11	419.48	7.60	-34.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020280955	0	51	-1.0	-43.49	402.51	6.90	-36.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020280955	1	51	-1.0	-43.47	402.45	6.88	-36.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020280956	0	50	-1.0	-52.88	381.62	4.48	-48.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020280956	1	50	-1.0	-52.93	381.68	4.51	-48.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020280957	0	48	-1.0	-42.83	399.28	9.65	-33.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020280957	1	48	-1.0	-42.85	399.35	9.66	-33.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020280958	0	45	-1.0	-44.48	380.20	9.56	-34.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020280958	1	45	-1.0	-44.46	380.15	9.55	-34.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020280959	0	54	-1.0	-41.53	414.68	6.23	-35.30
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020280959	1	54	-1.0	-41.53	414.74	6.24	-35.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020280960	0	51	-1.0	-45.09	396.65	5.89	-39.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020280960	1	51	-1.0	-45.05	396.70	5.91	-39.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC	REAL300020280961	0	52	-1.0	-40.18	401.57	8.34	-31.84
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC	REAL300020280961	1	52	-1.0	-40.17	401.63	8.36	-31.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC	REAL300020280962	0	49	-1.0	-43.09	381.15	7.65	-35.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC	REAL300020280962	1	49	-1.0	-43.09	381.09	7.63	-35.46
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CCCC	REAL300020280963	0	56	-1.0	-42.03	429.59	10.21	-31.82
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CCCC	REAL300020280963	1	56	-1.0	-42.02	429.63	10.20	-31.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020280964	0	54	-1.0	-49.50	418.64	7.82	-41.68
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020280964	1	54	-1.0	-49.42	418.70	7.84	-41.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020280965	0	51	-1.0	-54.38	394.39	7.55	-46.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020280965	1	51	-1.0	-54.39	394.46	7.57	-46.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020280966	0	48	-1.0	-42.55	345.83	7.85	-34.70
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020280966	1	48	-1.0	-42.57	345.89	7.87	-34.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020280967	0	45	-1.0	-46.60	321.88	6.92	-39.68
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020280967	1	45	-1.0	-46.64	321.82	6.89	-39.75
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020280968	0	52	-1.0	-42.59	393.06	10.98	-31.61
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020280968	1	52	-1.0	-42.56	393.10	10.97	-31.59
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020280969	0	53	-1.0	-41.89	430.12	9.33	-32.56
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020280969	1	53	-1.0	-41.88	430.18	9.35	-32.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020280970	0	50	-1.0	-42.51	402.38	9.23	-33.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020280970	1	50	-1.0	-42.50	402.43	9.25	-33.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020280971	0	54	-1.0	-40.43	410.26	10.43	-30.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020280971	1	54	-1.0	-40.42	410.34	10.43	-29.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020280972	0	51	-1.0	-45.59	394.31	9.84	-35.75
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020280972	1	51	-1.0	-45.64	394.25	9.81	-35.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020280973	0	55	-1.0	-47.66	442.87	9.27	-38.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020280973	1	55	-1.0	-47.65	442.93	9.29	-38.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020280974	0	52	-1.0	-50.11	420.42	8.28	-41.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020280974	1	52	-1.0	-50.12	420.48	8.30	-41.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020280975	0	48	-1.0	-48.79	385.70	2.81	-45.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020280975	1	48	-1.0	-48.82	385.76	2.82	-46.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020280976	0	45	-1.0	-48.84	368.41	2.14	-46.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020280976	1	45	-1.0	-48.80	368.31	2.11	-46.69
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020280977	0	48	-1.0	-42.13	387.59	9.87	-32.26
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020280977	1	48	-1.0	-42.16	387.61	9.89	-32.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020280978	0	45	-1.0	-46.66	370.00	9.41	-37.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020280978	1	45	-1.0	-46.61	369.93	9.38	-37.23
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020280979	0	49	-1.0	-44.24	389.94	7.80	-36.44
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020280979	1	49	-1.0	-44.26	389.99	7.82	-36.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020280980	0	46	-1.0	-45.77	373.87	7.15	-38.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020280980	1	46	-1.0	-45.77	373.81	7.12	-38.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020280981	0	43	-1.0	-39.11	355.00	7.13	-31.98
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020280981	1	43	-1.0	-39.14	355.06	7.14	-32.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020280982	0	40	-1.0	-42.00	338.72	6.51	-35.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020280982	1	40	-1.0	-42.02	338.67	6.48	-35.54
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020280983	0	47	-1.0	-40.90	391.06	9.28	-31.62
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020280983	1	47	-1.0	-40.91	390.58	9.26	-31.65
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020280984	0	52	-1.0	-45.65	384.79	7.71	-37.94
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020280984	1	52	-1.0	-45.61	384.85	7.73	-37.88
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020280985	0	49	-1.0	-47.61	355.98	7.41	-40.20
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020280985	1	49	-1.0	-47.64	355.92	7.40	-40.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020280986	0	54	-1.0	-40.90	394.82	8.49	-32.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020280986	1	54	-1.0	-40.95	394.88	8.50	-32.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020280987	0	51	-1.0	-47.54	379.40	7.62	-39.92
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020280987	1	51	-1.0	-47.52	379.46	7.64	-39.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020280988	0	47	-1.0	-47.02	394.48	7.25	-39.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020280988	1	47	-1.0	-46.97	394.54	7.27	-39.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020280989	0	44	-1.0	-48.19	376.26	6.59	-41.60
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020280989	1	44	-1.0	-48.17	376.21	6.56	-41.61
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020280990	0	59	-1.0	-40.22	422.84	12.48	-27.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020280990	1	59	-1.0	-40.22	422.90	12.49	-27.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020280991	0	56	-1.0	-46.59	394.30	11.96	-34.63
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020280991	1	56	-1.0	-46.60	394.36	11.98	-34.62
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020280992	0	53	-1.0	-46.65	429.98	5.76	-40.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020280992	1	53	-1.0	-46.67	430.04	5.77	-40.90
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020280993	0	50	-1.0	-46.77	410.17	4.71	-42.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020280993	1	50	-1.0	-46.85	410.23	4.74	-42.11
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020280994	0	48	-1.0	-43.99	362.66	5.64	-38.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020280994	1	48	-1.0	-43.95	362.74	5.64	-38.31
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020280995	0	45	-1.0	-51.63	361.19	5.57	-46.06
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020280995	1	45	-1.0	-51.70	361.14	5.55	-46.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(=C)C1	REAL300020280996	0	44	-1.0	-40.08	356.20	7.83	-32.25
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(=C)C1	REAL300020280996	1	44	-1.0	-40.03	356.25	7.85	-32.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(=C)C1	REAL300020280997	0	41	-1.0	-44.04	326.33	8.03	-36.01
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(=C)C1	REAL300020280997	1	41	-1.0	-44.01	326.27	8.00	-36.01
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(=C)C1	REAL300020280998	0	48	-1.0	-42.11	385.81	9.84	-32.27
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(=C)C1	REAL300020280998	1	48	-1.0	-42.06	385.80	9.81	-32.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020280999	0	48	-1.0	-50.58	372.39	3.19	-47.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020280999	1	48	-1.0	-50.57	372.45	3.21	-47.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020281000	0	45	-1.0	-51.33	361.84	2.15	-49.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020281000	1	45	-1.0	-51.32	361.79	2.12	-49.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020281001	0	47	-1.0	-42.38	375.33	6.76	-35.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020281001	1	47	-1.0	-42.37	375.38	6.78	-35.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020281002	0	44	-1.0	-44.43	355.93	5.70	-38.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020281002	1	44	-1.0	-44.42	355.87	5.68	-38.74
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020281003	0	51	-1.0	-43.78	411.25	8.55	-35.23
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020281003	1	51	-1.0	-43.72	411.29	8.54	-35.18
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020281004	0	49	-1.0	-41.61	387.11	5.00	-36.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020281004	1	49	-1.0	-41.61	387.17	5.01	-36.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020281005	0	46	-1.0	-44.07	366.73	4.33	-39.74
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020281005	1	46	-1.0	-44.05	366.68	4.30	-39.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020281006	0	54	-1.0	-44.25	431.98	7.23	-37.02
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020281006	1	54	-1.0	-44.23	432.03	7.25	-36.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020281007	0	51	-1.0	-47.52	406.22	7.63	-39.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020281007	1	51	-1.0	-47.55	405.99	7.67	-39.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020281008	0	52	-1.0	-45.09	413.23	3.29	-41.80
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020281008	1	52	-1.0	-45.12	413.28	3.32	-41.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020281009	0	51	-1.0	-45.61	419.21	7.53	-38.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020281009	1	51	-1.0	-45.62	419.26	7.55	-38.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020281010	0	50	-1.0	-55.71	374.54	3.46	-52.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020281010	1	50	-1.0	-55.71	374.60	3.48	-52.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1Cl	REAL300020281011	0	50	-1.0	-44.90	415.38	11.05	-33.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1Cl	REAL300020281011	1	50	-1.0	-44.89	415.33	11.02	-33.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020281012	0	48	-1.0	-41.71	397.93	6.62	-35.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020281012	1	48	-1.0	-41.67	397.99	6.63	-35.04
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020281013	0	45	-1.0	-44.13	372.38	6.27	-37.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020281013	1	45	-1.0	-44.10	372.33	6.25	-37.85
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020281014	0	51	-1.0	-52.10	385.50	6.81	-45.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020281014	1	51	-1.0	-52.14	385.54	6.81	-45.33
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020281015	0	49	-1.0	-38.99	391.84	8.48	-30.51
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020281015	1	49	-1.0	-39.03	391.90	8.49	-30.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020281016	0	46	-1.0	-40.72	368.29	8.10	-32.62
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020281016	1	46	-1.0	-40.71	368.34	8.12	-32.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020281017	0	54	-1.0	-43.31	418.34	8.40	-34.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020281017	1	54	-1.0	-43.32	418.27	8.38	-34.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020281018	0	51	-1.0	-56.54	396.41	8.44	-48.10
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020281018	1	51	-1.0	-56.55	396.08	8.43	-48.12
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020281019	0	53	-1.0	-40.79	418.11	9.45	-31.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020281019	1	53	-1.0	-40.76	418.16	9.47	-31.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020281020	0	50	-1.0	-44.29	387.93	9.00	-35.29
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020281020	1	50	-1.0	-44.34	388.00	9.01	-35.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020281021	0	52	-1.0	-54.45	410.80	5.67	-48.78
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020281021	1	52	-1.0	-54.43	410.85	5.69	-48.74
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020281022	0	52	-1.0	-49.12	409.50	5.91	-43.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020281022	1	52	-1.0	-49.11	409.56	5.92	-43.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020281023	0	49	-1.0	-56.43	379.44	5.66	-50.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020281023	1	49	-1.0	-56.52	379.49	5.68	-50.84
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020281024	0	47	-1.0	-41.04	397.50	6.78	-34.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020281024	1	47	-1.0	-41.03	397.55	6.81	-34.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020281025	0	47	-1.0	-46.13	387.07	9.71	-36.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020281025	1	47	-1.0	-46.14	387.13	9.74	-36.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020281026	0	49	-1.0	-41.01	373.06	8.92	-32.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020281026	1	49	-1.0	-41.02	373.12	8.93	-32.09
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020281027	0	46	-1.0	-44.78	352.21	8.32	-36.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020281027	1	46	-1.0	-44.82	352.28	8.33	-36.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020281028	0	52	-1.0	-41.73	416.48	8.77	-32.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020281028	1	52	-1.0	-41.76	416.53	8.78	-32.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020281029	0	49	-1.0	-45.63	386.12	8.31	-37.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020281029	1	49	-1.0	-45.71	386.17	8.32	-37.39
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020281030	0	52	-1.0	-45.03	397.50	7.78	-37.25
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020281030	1	52	-1.0	-45.02	397.55	7.80	-37.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020281031	0	49	-1.0	-43.83	398.89	7.80	-36.03
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020281031	1	49	-1.0	-43.80	398.95	7.83	-35.97
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020281032	0	52	-1.0	-41.04	413.97	8.80	-32.24
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020281032	1	52	-1.0	-41.02	414.03	8.81	-32.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020281033	0	49	-1.0	-44.35	390.37	8.23	-36.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020281033	1	49	-1.0	-44.33	390.42	8.26	-36.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020281034	0	49	-1.0	-45.04	376.74	7.21	-37.83
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020281034	1	49	-1.0	-45.04	376.80	7.23	-37.81
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020281035	0	46	-1.0	-50.60	376.13	7.88	-42.72
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020281035	1	46	-1.0	-50.61	376.08	7.86	-42.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020281036	0	53	-1.0	-48.19	427.30	7.85	-40.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020281036	1	53	-1.0	-48.14	427.36	7.88	-40.26
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020281037	0	50	-1.0	-48.67	407.60	7.81	-40.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020281037	1	50	-1.0	-48.65	407.59	7.79	-40.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020281038	0	50	-1.0	-41.69	383.07	6.60	-35.09
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020281038	1	50	-1.0	-41.70	383.12	6.61	-35.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020281039	0	47	-1.0	-42.65	366.91	6.33	-36.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020281039	1	47	-1.0	-42.64	366.86	6.30	-36.34
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CCCO1	REAL300020281040	0	54	-1.0	-40.90	413.76	9.39	-31.51
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CCCO1	REAL300020281040	1	54	-1.0	-40.85	413.80	9.38	-31.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020281041	0	53	-1.0	-47.37	433.35	8.89	-38.48
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020281041	1	53	-1.0	-47.32	433.40	8.90	-38.42
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020281042	0	50	-1.0	-48.55	415.24	7.88	-40.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020281042	1	50	-1.0	-48.54	415.30	7.90	-40.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020281043	0	56	-1.0	-42.48	421.53	5.20	-37.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020281043	1	56	-1.0	-42.46	421.59	5.23	-37.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020281043	1	57	0.0	-62.32	420.55	7.97	-54.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020281044	0	55	-1.0	-43.69	432.79	8.60	-35.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020281044	1	56	0.0	-69.02	441.89	10.56	-58.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020281044	1	55	-1.0	-43.71	432.85	8.63	-35.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020281045	0	56	-1.0	-39.92	420.89	11.71	-28.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020281045	1	56	-1.0	-39.96	420.94	11.73	-28.23
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020281046	0	53	-1.0	-42.11	391.53	9.42	-32.69
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020281046	1	53	-1.0	-42.15	391.46	9.40	-32.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C	REAL300020281047	0	43	-1.0	-41.11	344.50	7.14	-33.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C	REAL300020281047	1	43	-1.0	-41.10	344.56	7.16	-33.94
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020281048	0	47	-1.0	-42.87	368.48	9.07	-33.80
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020281048	1	47	-1.0	-42.82	368.53	9.07	-33.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020281049	0	47	-1.0	-41.06	376.03	6.44	-34.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020281049	1	47	-1.0	-41.02	376.08	6.45	-34.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020281050	0	44	-1.0	-40.97	360.76	5.52	-35.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020281050	1	44	-1.0	-40.98	360.71	5.49	-35.49
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020281051	0	51	-1.0	-42.25	388.88	7.43	-34.82
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020281051	1	51	-1.0	-42.13	388.90	7.39	-34.74
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020281052	0	51	-1.0	-40.49	401.47	8.74	-31.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020281052	1	51	-1.0	-40.46	401.53	8.76	-31.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020281053	0	48	-1.0	-42.81	379.82	7.95	-34.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020281053	1	48	-1.0	-42.83	379.88	7.98	-34.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020281054	0	47	-1.0	-41.51	368.92	4.98	-36.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020281054	1	47	-1.0	-41.52	368.97	4.99	-36.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020281055	0	44	-1.0	-50.42	359.71	3.94	-46.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020281055	1	44	-1.0	-50.43	359.65	3.91	-46.52
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020281056	0	51	-1.0	-52.33	404.70	5.52	-46.81
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020281056	1	51	-1.0	-52.26	404.70	5.51	-46.75
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020281057	0	49	-1.0	-46.00	413.95	7.18	-38.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020281057	1	49	-1.0	-45.96	413.89	7.16	-38.80
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020281058	0	45	-1.0	-47.98	369.14	2.60	-45.38
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020281058	1	45	-1.0	-47.95	369.20	2.63	-45.32
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020281059	0	42	-1.0	-48.44	333.07	1.79	-46.65
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020281059	1	42	-1.0	-48.44	333.02	1.76	-46.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020281060	0	47	-1.0	-40.11	377.91	8.76	-31.35
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020281060	1	47	-1.0	-40.11	377.96	8.78	-31.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020281061	0	44	-1.0	-41.43	362.38	7.95	-33.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020281061	1	44	-1.0	-41.41	362.43	7.97	-33.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020281062	0	58	0.0	-67.93	428.23	9.44	-58.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020281062	1	58	0.0	-67.35	425.07	9.64	-57.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020281062	1	58	0.0	-67.96	428.29	9.46	-58.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020281062	1	58	0.0	-67.38	425.13	9.65	-57.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020281063	0	55	0.0	-66.15	402.77	8.57	-57.58
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020281063	1	55	0.0	-66.03	410.38	8.48	-57.55
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020281063	1	55	0.0	-66.20	402.83	8.59	-57.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020281063	1	55	0.0	-66.00	410.44	8.51	-57.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020281064	0	50	-1.0	-46.67	399.03	11.90	-34.77
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020281064	1	50	-1.0	-46.68	398.97	11.89	-34.79
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020281065	0	47	-1.0	-53.30	369.88	11.57	-41.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020281065	1	47	-1.0	-53.30	369.83	11.57	-41.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC=C1OC	REAL300020281066	0	51	-1.0	-48.14	386.32	7.20	-40.94
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC=C1OC	REAL300020281066	1	51	-1.0	-48.18	386.27	7.17	-41.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020281067	0	49	-1.0	-41.04	385.76	7.81	-33.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020281067	1	49	-1.0	-41.02	385.83	7.83	-33.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020281068	0	46	-1.0	-42.56	371.97	7.11	-35.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020281068	1	46	-1.0	-42.53	371.91	7.08	-35.45
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020281069	0	55	-1.0	-39.41	404.22	10.22	-29.19
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020281069	1	55	-1.0	-39.39	404.28	10.23	-29.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020281070	0	52	-1.0	-42.16	383.34	9.45	-32.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020281070	1	52	-1.0	-42.14	383.29	9.42	-32.72
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020281071	0	47	-1.0	-40.44	365.74	8.17	-32.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020281071	1	47	-1.0	-40.39	365.80	8.18	-32.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020281072	0	44	-1.0	-43.82	344.10	7.12	-36.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020281072	1	44	-1.0	-43.87	344.03	7.09	-36.78
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020281073	0	51	-1.0	-41.78	387.43	9.59	-32.19
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020281073	1	51	-1.0	-41.77	387.35	9.56	-32.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020281074	0	50	-1.0	-45.07	387.68	5.69	-39.38
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020281074	1	50	-1.0	-45.11	387.74	5.71	-39.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020281075	0	47	-1.0	-50.93	364.67	4.84	-46.09
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020281075	1	47	-1.0	-50.96	364.72	4.86	-46.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020281076	0	44	-1.0	-39.61	366.48	6.64	-32.97
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020281076	1	44	-1.0	-39.59	366.53	6.66	-32.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020281077	0	41	-1.0	-41.53	344.96	5.86	-35.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020281077	1	41	-1.0	-41.54	344.90	5.84	-35.70
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC[C@@H]1C	REAL300020281078	0	48	-1.0	-41.25	395.67	9.21	-32.04
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC[C@@H]1C	REAL300020281078	1	48	-1.0	-41.24	395.39	9.19	-32.05
C#CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(=C)C	REAL300020281079	0	41	-1.0	-42.19	345.11	7.38	-34.81
C#CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(=C)C	REAL300020281079	1	41	-1.0	-42.19	345.17	7.39	-34.80
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(=C)C	REAL300020281080	0	45	-1.0	-43.91	372.91	9.41	-34.50
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(=C)C	REAL300020281080	1	45	-1.0	-43.89	372.95	9.40	-34.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020281081	0	44	-1.0	-45.57	343.51	6.77	-38.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020281081	1	44	-1.0	-45.51	343.57	6.78	-38.73
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020281082	0	41	-1.0	-51.35	315.82	6.22	-45.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020281082	1	41	-1.0	-51.38	315.77	6.22	-45.16
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020281083	0	48	-1.0	-46.72	376.56	8.63	-38.09
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020281083	1	48	-1.0	-46.73	376.61	8.63	-38.10
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020281084	0	53	-1.0	-41.68	399.61	9.18	-32.50
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020281084	1	53	-1.0	-41.67	399.66	9.19	-32.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020281085	0	50	-1.0	-41.34	383.64	8.98	-32.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020281085	1	50	-1.0	-41.31	383.59	8.96	-32.35
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(CC)=CS2)CC1	REAL300020281086	0	52	-1.0	-44.60	426.33	8.65	-35.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(CC)=CS2)CC1	REAL300020281086	1	52	-1.0	-44.58	426.38	8.67	-35.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020281087	0	49	-1.0	-42.72	367.34	7.69	-35.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020281087	1	49	-1.0	-42.70	367.40	7.70	-35.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020281088	0	46	-1.0	-45.61	372.17	7.79	-37.82
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020281088	1	46	-1.0	-45.63	372.23	7.81	-37.82
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020281089	0	52	-1.0	-41.29	407.74	9.93	-31.36
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020281089	1	52	-1.0	-41.31	407.80	9.95	-31.36
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020281090	0	49	-1.0	-44.28	391.89	8.67	-35.61
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020281090	1	49	-1.0	-44.27	391.95	8.69	-35.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020281091	0	52	-1.0	-41.47	419.29	10.18	-31.29
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020281091	1	52	-1.0	-41.48	419.34	10.19	-31.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020281092	0	49	-1.0	-43.24	401.90	8.86	-34.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020281092	1	49	-1.0	-43.30	401.95	8.89	-34.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020281093	0	49	-1.0	-40.48	394.91	8.77	-31.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020281093	1	49	-1.0	-40.50	394.97	8.79	-31.71
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020281094	0	46	-1.0	-42.03	374.25	8.07	-33.96
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020281094	1	46	-1.0	-41.97	374.30	8.09	-33.88
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020281095	0	57	-1.0	-39.75	431.98	9.14	-30.61
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020281095	1	57	-1.0	-39.77	432.03	9.15	-30.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020281096	0	54	-1.0	-41.95	412.36	8.01	-33.94
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020281096	1	54	-1.0	-41.96	412.42	8.03	-33.93
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020281097	0	47	-1.0	-44.91	377.00	4.31	-40.60
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020281097	1	47	-1.0	-44.89	377.06	4.32	-40.57
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020281098	0	44	-1.0	-51.39	340.50	2.95	-48.44
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020281098	1	44	-1.0	-51.40	340.44	2.93	-48.47
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020281099	0	51	-1.0	-46.97	412.49	6.20	-40.77
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020281099	1	51	-1.0	-46.88	412.52	6.18	-40.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020281100	0	49	-1.0	-47.66	399.06	4.45	-43.21
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020281100	1	49	-1.0	-47.65	399.12	4.47	-43.18
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020281101	0	49	-1.0	-40.90	392.09	9.28	-31.62
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020281101	1	49	-1.0	-40.92	392.15	9.29	-31.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020281102	0	46	-1.0	-42.33	371.49	8.48	-33.85
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020281102	1	46	-1.0	-42.33	371.55	8.50	-33.83
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020281103	0	47	-1.0	-44.86	377.16	4.98	-39.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020281103	1	47	-1.0	-44.86	377.22	4.99	-39.87
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020281104	0	44	-1.0	-47.15	354.09	4.36	-42.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020281104	1	44	-1.0	-47.15	354.03	4.33	-42.82
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(CO)CC1	REAL300020281105	0	51	-1.0	-46.17	407.70	6.77	-39.40
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(CO)CC1	REAL300020281105	1	51	-1.0	-46.19	407.71	6.75	-39.44
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020281106	0	50	-1.0	-45.42	408.02	8.19	-37.23
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020281106	1	50	-1.0	-45.38	408.07	8.20	-37.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020281107	0	47	-1.0	-47.08	386.66	7.80	-39.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020281107	1	47	-1.0	-47.04	386.60	7.78	-39.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020281108	0	50	-1.0	-41.78	401.55	10.13	-31.65
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020281108	1	50	-1.0	-41.81	401.60	10.14	-31.67
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020281109	0	47	-1.0	-43.26	377.76	9.62	-33.64
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020281109	1	47	-1.0	-43.24	377.71	9.61	-33.63
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020281110	0	47	-1.0	-41.51	358.73	5.62	-35.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020281110	1	47	-1.0	-41.53	358.79	5.64	-35.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020281111	0	44	-1.0	-44.00	337.71	4.86	-39.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020281111	1	44	-1.0	-43.97	337.66	4.84	-39.13
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020281112	0	51	-1.0	-43.01	404.94	8.43	-34.58
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020281112	1	51	-1.0	-42.93	404.97	8.41	-34.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020281113	0	47	-1.0	-46.08	383.45	7.20	-38.88
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020281113	1	47	-1.0	-46.10	383.51	7.21	-38.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020281114	0	44	-1.0	-43.99	362.18	7.45	-36.54
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020281114	1	44	-1.0	-43.99	362.14	7.44	-36.55
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](CC)C1	REAL300020281115	0	47	-1.0	-39.95	355.26	5.61	-34.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](CC)C1	REAL300020281115	1	47	-1.0	-39.90	355.32	5.63	-34.27
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](CC)C1	REAL300020281116	0	44	-1.0	-43.34	328.06	5.09	-38.25
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](CC)C1	REAL300020281116	1	44	-1.0	-43.29	328.03	5.09	-38.20
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@H](CC)C1	REAL300020281117	0	51	-1.0	-41.70	388.71	7.64	-34.06
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@H](CC)C1	REAL300020281117	1	51	-1.0	-41.63	388.75	7.63	-34.00
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC)C1	REAL300020281118	0	47	-1.0	-41.31	373.06	6.74	-34.57
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC)C1	REAL300020281118	1	47	-1.0	-41.28	373.12	6.76	-34.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC)C1	REAL300020281119	0	44	-1.0	-44.54	353.33	5.65	-38.89
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC)C1	REAL300020281119	1	44	-1.0	-44.54	353.27	5.63	-38.91
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](OC)C1	REAL300020281120	0	51	-1.0	-41.99	388.76	7.44	-34.55
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](OC)C1	REAL300020281120	1	51	-1.0	-41.93	388.81	7.43	-34.50
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020281121	0	48	-1.0	-40.59	388.51	5.42	-35.17
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020281121	1	48	-1.0	-40.64	388.57	5.44	-35.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020281122	0	45	-1.0	-43.39	363.60	4.63	-38.76
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020281122	1	45	-1.0	-43.38	363.47	4.61	-38.77
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020281123	0	52	-1.0	-42.53	424.76	7.12	-35.41
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020281123	1	52	-1.0	-42.48	424.81	7.11	-35.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020281124	0	52	-1.0	-43.68	414.38	9.68	-34.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020281124	1	52	-1.0	-43.68	414.44	9.69	-33.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020281125	0	49	-1.0	-46.64	384.30	8.67	-37.97
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020281125	1	49	-1.0	-46.64	384.35	8.70	-37.94
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](COC)C1	REAL300020281126	0	48	-1.0	-41.99	372.02	4.60	-37.39
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](COC)C1	REAL300020281126	1	48	-1.0	-41.99	372.08	4.62	-37.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](COC)C1	REAL300020281127	0	45	-1.0	-45.11	359.49	4.66	-40.45
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](COC)C1	REAL300020281127	1	45	-1.0	-45.13	359.43	4.64	-40.49
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@H](COC)C1	REAL300020281128	0	52	-1.0	-43.22	422.65	7.17	-36.05
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@H](COC)C1	REAL300020281128	1	52	-1.0	-43.22	422.69	7.16	-36.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020281129	0	49	-1.0	-40.57	389.41	7.32	-33.25
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020281129	1	49	-1.0	-40.55	389.46	7.33	-33.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020281130	0	46	-1.0	-42.89	373.32	6.57	-36.32
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020281130	1	46	-1.0	-42.86	373.26	6.54	-36.32
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CC1(C)C	REAL300020281131	0	44	-1.0	-40.01	347.44	6.81	-33.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CC1(C)C	REAL300020281131	1	44	-1.0	-40.00	347.49	6.83	-33.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CC1(C)C	REAL300020281132	0	41	-1.0	-44.72	315.04	6.43	-38.29
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CC1(C)C	REAL300020281132	1	41	-1.0	-44.68	314.99	6.42	-38.26
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020281133	0	48	-1.0	-42.33	369.10	9.06	-33.27
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020281133	1	48	-1.0	-42.25	369.13	9.04	-33.21
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020281134	0	49	-1.0	-49.67	359.43	2.59	-47.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020281134	1	49	-1.0	-49.69	359.49	2.61	-47.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020281135	0	46	-1.0	-44.80	368.37	3.23	-41.57
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020281135	1	46	-1.0	-44.82	368.32	3.21	-41.61
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020281136	0	52	-1.0	-50.25	401.51	3.76	-46.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020281136	1	52	-1.0	-50.25	401.57	3.78	-46.47
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020281137	0	57	-1.0	-42.31	422.71	8.02	-34.29
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020281137	1	57	-1.0	-42.32	422.77	8.04	-34.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020281138	0	54	-1.0	-46.29	405.38	6.70	-39.59
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020281138	1	54	-1.0	-46.31	405.44	6.72	-39.59
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C[C@H](C2=NNC(=O)N2C)C1	REAL300020281139	0	53	-1.0	-46.76	403.37	6.16	-40.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C[C@H](C2=NNC(=O)N2C)C1	REAL300020281139	1	53	-1.0	-46.77	403.42	6.19	-40.58
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020281140	0	46	-1.0	-49.72	375.15	3.67	-46.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020281140	1	46	-1.0	-49.76	375.21	3.68	-46.08
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020281141	0	43	-1.0	-47.58	336.20	2.05	-45.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020281141	1	43	-1.0	-47.59	336.14	2.02	-45.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OCC)C1	REAL300020281142	0	55	-1.0	-41.54	438.17	9.63	-31.91
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OCC)C1	REAL300020281142	1	55	-1.0	-41.54	438.21	9.66	-31.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OCC)C1	REAL300020281143	0	52	-1.0	-45.45	408.14	9.23	-36.22
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OCC)C1	REAL300020281143	1	52	-1.0	-45.43	408.20	9.26	-36.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2C(=O)OCC)CC1	REAL300020281144	0	53	-1.0	-47.67	423.16	10.19	-37.48
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2C(=O)OCC)CC1	REAL300020281144	1	53	-1.0	-47.72	423.24	10.20	-37.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C	REAL300020281145	0	43	-1.0	-41.42	338.54	7.22	-34.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C	REAL300020281145	1	43	-1.0	-41.45	338.60	7.23	-34.22
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020281146	0	47	-1.0	-42.66	375.42	9.38	-33.28
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020281146	1	47	-1.0	-42.57	375.47	9.37	-33.20
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020281147	0	55	-1.0	-44.65	426.64	9.12	-35.53
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020281147	1	55	-1.0	-44.69	426.70	9.14	-35.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020281148	0	52	-1.0	-43.88	408.44	8.52	-35.36
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020281148	1	52	-1.0	-43.90	408.50	8.54	-35.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020281149	0	53	-1.0	-43.75	421.94	7.65	-36.10
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020281149	1	53	-1.0	-43.80	422.00	7.66	-36.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020281150	0	50	-1.0	-45.56	407.65	7.07	-38.49
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020281150	1	50	-1.0	-45.57	407.71	7.10	-38.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C(F)F)CC1	REAL300020281151	0	49	-1.0	-47.62	399.97	7.92	-39.70
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C(F)F)CC1	REAL300020281151	1	49	-1.0	-47.62	400.03	7.94	-39.68
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C	REAL300020281152	0	43	-1.0	-41.42	338.54	7.22	-34.20
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C	REAL300020281152	1	43	-1.0	-41.45	338.60	7.23	-34.22
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020281153	0	47	-1.0	-42.66	375.42	9.38	-33.28
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020281153	1	47	-1.0	-42.57	375.47	9.37	-33.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC(F)=CC=C1F	REAL300020281154	0	49	-1.0	-46.40	390.69	9.03	-37.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC(F)=CC=C1F	REAL300020281154	1	49	-1.0	-46.43	390.65	9.01	-37.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020281155	0	50	-1.0	-43.40	380.79	8.37	-35.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020281155	1	50	-1.0	-43.36	380.85	8.39	-34.97
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020281156	0	47	-1.0	-41.20	372.52	8.73	-32.47
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020281156	1	47	-1.0	-41.21	372.58	8.75	-32.46
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020281157	0	52	-1.0	-46.18	421.09	6.96	-39.22
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020281157	1	52	-1.0	-46.18	421.15	6.97	-39.21
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020281158	0	49	-1.0	-49.87	394.10	7.34	-42.53
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020281158	1	49	-1.0	-49.87	394.13	7.36	-42.51
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020281159	0	53	-1.0	-43.64	388.58	9.69	-33.95
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020281159	1	53	-1.0	-43.69	388.64	9.70	-33.99
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020281160	0	50	-1.0	-45.48	371.86	9.04	-36.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020281160	1	50	-1.0	-45.48	371.92	9.06	-36.42
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020281161	0	59	-1.0	-40.16	450.49	9.57	-30.59
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020281161	1	59	-1.0	-40.21	450.54	9.59	-30.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020281162	0	56	-1.0	-43.37	433.10	8.26	-35.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020281162	1	56	-1.0	-43.35	433.15	8.28	-35.07
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020281163	0	59	-1.0	-40.99	445.81	9.13	-31.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020281163	1	59	-1.0	-41.07	445.87	9.15	-31.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020281164	0	56	-1.0	-41.44	435.30	8.31	-33.13
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020281164	1	56	-1.0	-41.41	435.37	8.33	-33.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020281165	0	52	-1.0	-47.48	425.93	7.11	-40.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020281165	1	52	-1.0	-47.51	425.99	7.13	-40.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020281166	0	49	-1.0	-51.33	393.72	6.66	-44.67
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020281166	1	49	-1.0	-51.31	393.67	6.65	-44.66
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020281167	0	51	-1.0	-46.72	389.30	6.67	-40.05
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020281167	1	51	-1.0	-46.69	389.35	6.69	-40.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020281168	0	48	-1.0	-45.32	384.50	6.36	-38.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020281168	1	48	-1.0	-45.34	384.44	6.32	-39.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020281169	0	49	-1.0	-42.88	383.79	7.39	-35.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020281169	1	49	-1.0	-42.86	383.84	7.40	-35.46
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020281170	0	46	-1.0	-45.40	371.09	7.03	-38.37
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020281170	1	46	-1.0	-45.41	371.03	7.01	-38.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CCOCC1	REAL300020281171	0	53	-1.0	-41.11	410.06	7.37	-33.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CCOCC1	REAL300020281171	1	53	-1.0	-41.13	410.12	7.39	-33.74
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CCOCC1	REAL300020281172	0	50	-1.0	-43.28	390.74	6.46	-36.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CCOCC1	REAL300020281172	1	50	-1.0	-43.23	390.69	6.44	-36.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020281173	0	52	-1.0	-55.83	394.34	5.06	-50.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020281173	1	52	-1.0	-55.86	394.40	5.08	-50.78
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020281174	0	48	-1.0	-42.45	411.04	7.72	-34.73
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020281174	1	48	-1.0	-42.50	411.10	7.73	-34.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020281175	0	45	-1.0	-44.89	390.92	6.74	-38.15
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020281175	1	45	-1.0	-44.87	390.86	6.72	-38.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020281176	0	51	-1.0	-46.59	391.94	2.85	-43.74
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020281176	1	51	-1.0	-46.59	392.00	2.86	-43.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020281177	0	48	-1.0	-49.97	383.00	2.41	-47.56
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020281177	1	48	-1.0	-49.99	383.08	2.43	-47.56
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020281178	0	53	-1.0	-46.50	415.44	8.72	-37.78
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020281178	1	53	-1.0	-46.55	415.49	8.73	-37.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020281179	0	50	-1.0	-48.80	395.69	8.78	-40.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020281179	1	50	-1.0	-48.79	395.85	8.71	-40.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020281180	0	53	-1.0	-41.65	418.40	8.40	-33.25
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020281180	1	53	-1.0	-41.57	418.45	8.43	-33.14
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020281181	0	51	-1.0	-42.27	393.66	7.09	-35.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020281181	1	51	-1.0	-42.25	393.72	7.10	-35.15
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020281182	0	48	-1.0	-48.11	365.92	6.83	-41.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020281182	1	48	-1.0	-48.07	365.85	6.82	-41.25
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020281183	0	43	-1.0	-39.51	366.46	7.47	-32.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020281183	1	43	-1.0	-39.48	366.51	7.48	-32.00
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020281184	0	40	-1.0	-44.05	340.97	7.16	-36.89
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020281184	1	40	-1.0	-44.04	341.03	7.18	-36.86
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020281185	0	51	-1.0	-46.44	358.37	5.12	-41.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020281185	1	51	-1.0	-46.46	358.43	5.13	-41.33
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020281186	0	48	-1.0	-47.73	383.66	5.62	-42.11
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020281186	1	48	-1.0	-47.73	383.72	5.65	-42.08
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020281187	0	52	-1.0	-44.38	408.95	4.58	-39.80
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020281187	1	52	-1.0	-44.41	409.01	4.59	-39.82
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020281188	0	49	-1.0	-49.11	378.72	4.18	-44.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020281188	1	49	-1.0	-49.24	378.69	4.18	-45.06
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020281189	0	55	-1.0	-41.23	410.26	8.36	-32.87
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020281189	1	55	-1.0	-41.24	410.32	8.38	-32.86
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020281190	0	52	-1.0	-45.33	382.25	8.11	-37.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020281190	1	52	-1.0	-45.37	382.20	8.09	-37.28
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020281191	0	56	-1.0	-45.87	414.05	10.71	-35.16
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020281191	1	56	-1.0	-45.87	414.11	10.73	-35.14
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C(C(=O)OCC)=NO2	REAL300020281192	0	49	-1.0	-49.67	409.35	7.61	-42.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C(C(=O)OCC)=NO2	REAL300020281192	1	49	-1.0	-49.65	409.41	7.63	-42.02
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020281193	0	57	-1.0	-40.75	423.94	5.96	-34.79
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020281193	1	57	-1.0	-40.77	424.00	5.98	-34.79
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020281194	0	54	-1.0	-42.92	397.44	5.50	-37.42
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020281194	1	54	-1.0	-42.93	397.50	5.52	-37.41
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020281195	0	54	-1.0	-40.38	388.15	5.42	-34.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020281195	1	54	-1.0	-40.37	388.23	5.42	-34.95
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020281196	0	51	-1.0	-43.48	388.75	5.41	-38.07
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020281196	1	51	-1.0	-43.46	388.70	5.38	-38.08
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCC)C=C1	REAL300020281197	0	46	-1.0	-43.26	381.00	10.04	-33.22
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCC)C=C1	REAL300020281197	1	46	-1.0	-43.22	380.95	10.02	-33.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCC)C=C1	REAL300020281198	0	43	-1.0	-45.74	360.63	9.24	-36.50
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCC)C=C1	REAL300020281198	1	43	-1.0	-45.75	360.57	9.20	-36.55
C=C(C)CN1C(NC2=NN(CCC)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020281199	0	50	-1.0	-44.85	414.64	12.00	-32.85
C=C(C)CN1C(NC2=NN(CCC)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020281199	1	50	-1.0	-44.86	414.57	12.01	-32.85
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020281200	0	51	-1.0	-44.26	407.64	7.62	-36.64
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020281200	1	51	-1.0	-44.27	407.69	7.64	-36.63
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020281201	0	48	-1.0	-49.95	379.62	7.31	-42.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020281201	1	48	-1.0	-49.97	379.68	7.33	-42.64
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020281202	0	45	-1.0	-42.68	352.82	7.50	-35.18
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020281202	1	45	-1.0	-42.69	352.88	7.52	-35.17
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020281203	0	42	-1.0	-46.63	329.38	6.68	-39.95
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020281203	1	42	-1.0	-46.63	329.32	6.66	-39.97
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020281204	0	49	-1.0	-42.83	386.47	10.24	-32.59
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020281204	1	49	-1.0	-42.81	386.53	10.24	-32.57
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020281205	0	51	-1.0	-42.75	376.56	9.41	-33.34
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020281205	1	51	-1.0	-42.72	376.62	9.42	-33.30
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020281206	0	48	-1.0	-43.34	368.56	10.87	-32.47
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020281206	1	48	-1.0	-43.33	368.50	10.85	-32.48
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020281207	0	49	-1.0	-39.44	386.81	6.99	-32.45
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020281207	1	49	-1.0	-39.44	386.87	7.00	-32.44
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020281208	0	46	-1.0	-41.85	361.71	6.36	-35.49
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020281208	1	46	-1.0	-41.85	361.65	6.33	-35.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020281209	0	48	-1.0	-40.79	347.96	4.04	-36.75
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020281209	1	48	-1.0	-40.77	348.01	4.06	-36.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020281210	0	45	-1.0	-42.41	345.63	3.68	-38.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020281210	1	45	-1.0	-42.39	345.58	3.66	-38.73
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020281211	0	52	-1.0	-42.92	395.59	6.61	-36.31
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020281211	1	52	-1.0	-42.85	395.64	6.59	-36.26
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020281212	0	57	-1.0	-42.09	417.23	8.20	-33.89
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020281212	1	57	-1.0	-42.10	417.29	8.22	-33.88
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020281213	0	54	-1.0	-43.28	386.93	8.30	-34.98
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020281213	1	54	-1.0	-43.28	386.99	8.33	-34.95
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)OCCC	REAL300020281214	0	56	-1.0	-46.37	454.33	6.34	-40.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)OCCC	REAL300020281214	1	56	-1.0	-46.37	454.39	6.35	-40.02
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)OCCC	REAL300020281215	0	53	-1.0	-46.86	439.54	5.48	-41.38
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)OCCC	REAL300020281215	1	53	-1.0	-46.87	439.60	5.51	-41.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020281216	0	48	-1.0	-40.08	382.68	9.22	-30.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020281216	1	48	-1.0	-40.06	382.74	9.23	-30.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020281217	0	45	-1.0	-42.95	360.52	8.42	-34.53
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020281217	1	45	-1.0	-42.93	360.47	8.40	-34.53
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020281218	0	52	-1.0	-41.06	414.08	11.17	-29.89
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020281218	1	52	-1.0	-41.08	414.16	11.16	-29.92
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020281219	0	50	-1.0	-40.80	403.77	10.09	-30.71
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020281219	1	50	-1.0	-40.81	403.83	10.10	-30.71
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020281220	0	47	-1.0	-42.15	387.16	9.45	-32.70
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020281220	1	47	-1.0	-42.18	387.11	9.43	-32.75
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020281221	0	55	-1.0	-40.33	427.92	10.26	-30.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020281221	1	55	-1.0	-40.35	427.99	10.28	-30.07
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020281222	0	52	-1.0	-44.57	408.66	9.59	-34.98
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020281222	1	52	-1.0	-44.62	408.45	9.59	-35.03
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020281223	0	50	-1.0	-41.62	386.40	8.85	-32.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020281223	1	50	-1.0	-41.69	386.45	8.86	-32.83
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020281224	0	47	-1.0	-44.68	366.51	8.13	-36.55
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020281224	1	47	-1.0	-44.60	366.45	8.11	-36.49
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020281225	0	54	-1.0	-43.46	410.69	10.73	-32.73
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020281225	1	54	-1.0	-43.43	410.73	10.72	-32.71
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(O)CC	REAL300020281226	0	49	-1.0	-39.91	384.62	4.77	-35.14
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(O)CC	REAL300020281226	1	49	-1.0	-39.91	384.68	4.79	-35.12
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(O)CC	REAL300020281227	0	46	-1.0	-43.33	358.62	4.67	-38.66
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(O)CC	REAL300020281227	1	46	-1.0	-43.34	358.65	4.67	-38.67
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(O)CC	REAL300020281228	0	53	-1.0	-41.75	416.97	6.80	-34.95
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(O)CC	REAL300020281228	1	53	-1.0	-41.70	417.04	6.79	-34.91
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCCCO	REAL300020281229	0	49	-1.0	-42.84	389.19	4.17	-38.67
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCCCO	REAL300020281229	1	49	-1.0	-42.82	389.25	4.18	-38.64
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCCCO	REAL300020281230	0	46	-1.0	-47.20	363.67	3.80	-43.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCCCO	REAL300020281230	1	46	-1.0	-47.21	363.61	3.79	-43.42
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCCCO	REAL300020281231	0	53	-1.0	-44.76	421.58	6.24	-38.52
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCCCO	REAL300020281231	1	53	-1.0	-44.73	421.63	6.21	-38.52
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020281232	0	51	-1.0	-47.14	411.09	10.99	-36.15
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020281232	1	51	-1.0	-47.15	411.03	10.97	-36.18
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020281233	0	48	-1.0	-43.40	392.21	10.32	-33.08
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020281233	1	48	-1.0	-43.36	392.14	10.31	-33.05
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020281234	0	45	-1.0	-42.13	364.94	5.82	-36.31
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020281234	1	45	-1.0	-42.17	365.00	5.83	-36.34
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020281235	0	42	-1.0	-55.46	343.39	5.24	-50.22
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020281235	1	42	-1.0	-55.41	343.33	5.21	-50.20
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020281236	0	49	-1.0	-43.59	401.76	8.37	-35.22
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020281236	1	49	-1.0	-43.59	401.84	8.35	-35.24
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020281237	0	51	-1.0	-47.89	406.71	7.57	-40.32
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020281237	1	51	-1.0	-47.90	406.78	7.59	-40.31
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020281238	0	48	-1.0	-50.71	382.17	7.19	-43.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020281238	1	48	-1.0	-50.71	382.22	7.22	-43.49
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020281239	0	50	-1.0	-43.29	404.21	9.08	-34.21
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020281239	1	50	-1.0	-43.28	404.28	9.10	-34.18
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020281240	0	47	-1.0	-48.96	359.19	7.56	-41.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020281240	1	47	-1.0	-48.97	359.25	7.59	-41.38
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020281241	0	52	-1.0	-53.85	403.04	1.95	-51.90
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020281241	1	52	-1.0	-53.85	403.10	1.98	-51.87
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020281242	0	52	-1.0	-45.10	417.37	8.83	-36.27
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020281242	1	52	-1.0	-45.07	417.43	8.84	-36.23
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020281243	0	49	-1.0	-51.12	378.39	6.93	-44.19
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020281243	1	49	-1.0	-51.07	378.45	6.96	-44.11
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCN(CC)C1=CC=CC=C1	REAL300020281244	0	57	-1.0	-43.61	446.15	11.09	-32.52
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCN(CC)C1=CC=CC=C1	REAL300020281244	1	57	-1.0	-43.63	446.18	11.11	-32.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020281245	0	50	-1.0	-41.54	399.08	9.47	-32.07
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020281245	1	50	-1.0	-41.54	399.14	9.48	-32.06
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020281246	0	47	-1.0	-45.61	374.26	9.65	-35.96
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020281246	1	47	-1.0	-45.64	374.21	9.63	-36.01
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020281247	0	44	-1.0	-47.93	367.31	2.44	-45.49
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020281247	1	44	-1.0	-47.97	367.37	2.46	-45.51
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020281248	0	41	-1.0	-48.65	345.14	2.25	-46.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020281248	1	41	-1.0	-48.64	345.07	2.24	-46.40
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020281249	0	49	-1.0	-41.31	395.43	4.90	-36.41
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020281249	1	49	-1.0	-41.29	395.48	4.92	-36.37
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020281250	0	46	-1.0	-43.31	362.55	4.45	-38.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020281250	1	46	-1.0	-43.32	362.51	4.43	-38.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020281251	0	44	-1.0	-39.34	353.89	8.34	-31.00
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020281251	1	44	-1.0	-39.37	353.95	8.36	-31.01
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020281252	0	41	-1.0	-41.02	338.49	7.54	-33.48
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020281252	1	41	-1.0	-41.04	338.43	7.52	-33.52
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020281253	0	48	-1.0	-43.01	379.15	10.52	-32.49
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020281253	1	48	-1.0	-43.02	379.17	10.50	-32.52
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020281254	0	42	-1.0	-44.43	335.10	4.47	-39.96
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020281254	1	42	-1.0	-44.47	335.16	4.48	-39.99
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020281255	0	39	-1.0	-46.68	308.86	4.06	-42.62
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020281255	1	39	-1.0	-46.66	308.80	4.03	-42.63
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020281256	0	46	-1.0	-45.80	366.02	6.43	-39.37
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020281256	1	46	-1.0	-45.79	366.04	6.43	-39.36
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020281257	0	50	-1.0	-49.49	400.93	3.45	-46.04
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020281257	1	50	-1.0	-49.47	400.98	3.47	-46.00
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020281258	0	47	-1.0	-53.97	369.86	3.05	-50.92
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020281258	1	47	-1.0	-53.94	369.82	3.04	-50.90
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020281259	0	49	-1.0	-45.15	397.56	8.00	-37.15
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020281259	1	49	-1.0	-45.14	397.63	8.01	-37.13
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020281260	0	46	-1.0	-44.55	381.54	7.35	-37.20
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020281260	1	46	-1.0	-44.55	381.60	7.38	-37.17
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020281261	0	53	-1.0	-49.14	424.39	9.12	-40.02
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020281261	1	53	-1.0	-49.17	424.42	9.14	-40.03
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020281262	0	49	-1.0	-43.32	403.04	10.76	-32.56
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020281262	1	49	-1.0	-43.35	402.98	10.75	-32.60
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020281263	0	46	-1.0	-45.45	374.68	9.99	-35.46
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020281263	1	46	-1.0	-45.49	374.62	9.96	-35.53
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020281264	0	50	-1.0	-49.23	402.54	5.46	-43.77
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020281264	1	50	-1.0	-49.25	402.60	5.48	-43.77
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020281265	0	47	-1.0	-52.83	379.75	5.10	-47.73
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020281265	1	47	-1.0	-52.87	379.70	5.08	-47.79
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020281266	0	46	-1.0	-43.10	356.89	4.82	-38.28
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020281266	1	46	-1.0	-43.12	356.95	4.84	-38.28
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020281267	0	43	-1.0	-41.99	340.58	4.19	-37.80
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020281267	1	43	-1.0	-41.99	340.52	4.16	-37.83
C=C(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020281268	0	50	-1.0	-43.03	390.24	7.09	-35.94
C=C(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020281268	1	50	-1.0	-42.97	390.28	7.08	-35.89
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020281269	0	55	-1.0	-43.31	428.15	8.94	-34.37
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020281269	1	55	-1.0	-43.35	428.21	8.95	-34.40
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020281270	0	52	-1.0	-45.33	405.07	8.40	-36.93
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020281270	1	52	-1.0	-45.32	405.13	8.42	-36.90
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020281271	0	52	-1.0	-41.53	421.99	8.71	-32.82
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020281271	1	52	-1.0	-41.58	422.05	8.72	-32.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020281272	0	49	-1.0	-42.12	406.82	7.86	-34.26
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020281272	1	49	-1.0	-42.15	406.76	7.83	-34.32
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281273	0	58	-1.0	-44.36	446.53	8.69	-35.67
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281273	1	58	-1.0	-44.38	446.59	8.70	-35.68
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281274	0	55	-1.0	-47.40	438.53	8.22	-39.18
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281274	1	55	-1.0	-47.39	438.58	8.25	-39.14
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020281275	0	55	-1.0	-41.64	429.54	7.38	-34.26
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020281275	1	55	-1.0	-41.66	429.60	7.39	-34.27
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020281276	0	52	-1.0	-43.09	401.70	7.28	-35.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020281276	1	52	-1.0	-43.08	401.77	7.31	-35.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020281277	0	56	-1.0	-51.69	449.56	8.48	-43.21
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020281277	1	56	-1.0	-51.70	449.63	8.51	-43.19
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSCC	REAL300020281278	0	58	-1.0	-42.25	455.42	9.24	-33.01
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSCC	REAL300020281278	1	58	-1.0	-42.21	455.47	9.25	-32.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSCC	REAL300020281279	0	55	-1.0	-41.38	446.97	8.62	-32.76
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSCC	REAL300020281279	1	55	-1.0	-41.43	447.03	8.65	-32.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020281280	0	59	-1.0	-49.04	446.47	6.98	-42.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020281280	1	59	-1.0	-49.09	446.53	7.00	-42.09
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020281281	0	57	-1.0	-41.96	437.48	7.79	-34.17
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020281281	1	57	-1.0	-41.93	437.54	7.80	-34.13
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020281282	0	54	-1.0	-43.51	416.24	7.06	-36.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020281282	1	54	-1.0	-43.48	416.30	7.07	-36.41
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020281283	0	56	-1.0	-44.42	448.02	8.91	-35.51
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020281283	1	56	-1.0	-44.47	448.08	8.92	-35.55
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020281284	0	53	-1.0	-52.54	420.64	8.10	-44.44
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020281284	1	53	-1.0	-52.51	420.71	8.11	-44.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020281285	0	56	-1.0	-50.21	442.28	10.14	-40.07
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020281285	1	56	-1.0	-50.22	442.34	10.16	-40.06
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020281286	0	55	-1.0	-43.07	435.81	5.94	-37.13
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020281286	1	55	-1.0	-43.10	435.86	5.96	-37.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020281287	0	52	-1.0	-43.95	416.88	5.25	-38.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020281287	1	52	-1.0	-43.93	416.93	5.27	-38.66
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020281288	0	47	-1.0	-40.26	393.04	6.67	-33.59
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020281288	1	47	-1.0	-40.26	393.09	6.68	-33.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020281289	0	44	-1.0	-46.24	362.63	6.18	-40.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020281289	1	44	-1.0	-46.23	362.69	6.21	-40.02
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C(C)C	REAL300020281290	0	51	-1.0	-42.01	405.27	5.76	-36.25
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C(C)C	REAL300020281290	1	51	-1.0	-42.02	405.33	5.77	-36.25
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C(C)C	REAL300020281291	0	48	-1.0	-43.54	376.03	5.29	-38.25
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C(C)C	REAL300020281291	1	48	-1.0	-43.56	376.10	5.32	-38.24
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C(C)C	REAL300020281292	0	55	-1.0	-42.65	430.58	8.73	-33.92
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C(C)C	REAL300020281292	1	55	-1.0	-42.61	430.62	8.72	-33.89
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020281293	0	53	-1.0	-42.89	424.70	4.25	-38.64
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020281293	1	53	-1.0	-42.91	424.76	4.26	-38.65
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020281294	0	50	-1.0	-44.55	398.43	3.64	-40.91
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020281294	1	50	-1.0	-44.56	398.49	3.67	-40.89
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020281295	0	55	-1.0	-41.69	434.40	8.18	-33.51
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020281295	1	55	-1.0	-41.64	434.46	8.19	-33.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020281296	0	52	-1.0	-42.72	410.51	7.45	-35.27
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020281296	1	52	-1.0	-42.76	410.56	7.48	-35.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020281297	0	52	-1.0	-45.98	427.52	8.03	-37.95
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020281297	1	52	-1.0	-46.00	427.58	8.05	-37.95
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020281298	0	57	-1.0	-42.59	442.78	6.49	-36.10
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020281298	1	57	-1.0	-42.58	442.84	6.51	-36.07
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020281299	0	54	-1.0	-46.48	429.44	6.18	-40.30
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020281299	1	54	-1.0	-46.94	430.80	6.22	-40.72
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020281300	0	50	-1.0	-48.82	408.07	7.48	-41.34
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020281300	1	50	-1.0	-48.79	408.12	7.49	-41.30
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020281301	0	61	-1.0	-41.97	459.88	8.38	-33.59
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020281301	1	61	-1.0	-41.97	459.94	8.40	-33.57
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020281302	0	58	-1.0	-48.84	432.70	7.59	-41.25
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020281302	1	58	-1.0	-48.78	432.75	7.60	-41.18
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020281303	0	58	-1.0	-41.17	440.25	8.59	-32.58
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020281303	1	58	-1.0	-41.18	440.30	8.60	-32.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020281304	0	55	-1.0	-45.14	418.66	8.00	-37.14
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020281304	1	55	-1.0	-45.14	418.73	8.01	-37.13
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020281305	0	52	-1.0	-41.71	413.30	7.44	-34.27
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020281305	1	52	-1.0	-41.71	413.36	7.45	-34.26
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020281306	0	49	-1.0	-42.94	393.10	6.72	-36.22
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020281306	1	49	-1.0	-42.99	393.16	6.74	-36.25
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C	REAL300020281307	0	52	-1.0	-43.09	395.29	7.20	-35.89
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C	REAL300020281307	1	52	-1.0	-43.05	395.35	7.22	-35.83
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C	REAL300020281308	0	49	-1.0	-42.34	387.20	5.74	-36.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C	REAL300020281308	1	49	-1.0	-42.33	387.27	5.77	-36.56
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020281309	0	56	-1.0	-44.18	431.50	9.50	-34.68
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020281309	1	56	-1.0	-44.18	431.54	9.49	-34.69
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020281310	0	59	-1.0	-43.20	434.59	6.93	-36.27
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020281310	1	59	-1.0	-43.17	434.65	6.95	-36.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020281311	0	56	-1.0	-44.26	418.97	6.30	-37.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020281311	1	56	-1.0	-44.32	419.02	6.32	-38.00
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020281312	0	58	-1.0	-43.96	452.69	9.76	-34.20
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020281312	1	58	-1.0	-43.94	452.75	9.77	-34.17
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020281313	0	55	-1.0	-42.04	434.62	8.38	-33.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020281313	1	55	-1.0	-42.01	434.67	8.40	-33.61
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020281314	0	59	-1.0	-44.58	443.78	9.61	-34.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020281314	1	59	-1.0	-44.60	443.84	9.63	-34.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020281315	0	56	-1.0	-49.87	441.16	10.36	-39.51
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020281315	1	56	-1.0	-49.87	441.21	10.39	-39.48
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020281316	0	56	-1.0	-45.36	432.14	8.63	-36.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020281316	1	56	-1.0	-45.35	432.19	8.67	-36.68
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020281317	0	50	-1.0	-43.41	416.88	8.19	-35.22
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020281317	1	50	-1.0	-43.37	416.94	8.21	-35.16
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020281318	0	58	-1.0	-43.42	457.58	10.51	-32.91
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020281318	1	58	-1.0	-43.45	457.64	10.53	-32.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020281319	0	55	-1.0	-42.22	440.89	9.17	-33.05
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020281319	1	55	-1.0	-42.21	440.94	9.20	-33.01
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC)C(C)C	REAL300020281320	0	60	-1.0	-42.63	462.00	8.36	-34.27
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC)C(C)C	REAL300020281320	1	60	-1.0	-42.62	462.06	8.37	-34.25
CCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC)C(C)C	REAL300020281321	0	57	-1.0	-44.59	440.52	7.58	-37.01
CCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC)C(C)C	REAL300020281321	1	57	-1.0	-44.59	440.56	7.61	-36.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020281322	0	52	-1.0	-42.26	418.44	8.00	-34.26
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020281322	1	52	-1.0	-42.27	418.49	8.03	-34.24
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020281323	0	54	-1.0	-43.60	429.81	4.29	-39.31
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020281323	1	54	-1.0	-43.61	429.87	4.32	-39.29
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020281324	0	52	-1.0	-53.03	429.73	3.15	-49.88
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020281324	1	52	-1.0	-53.09	429.79	3.16	-49.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020281325	0	49	-1.0	-51.85	395.80	2.89	-48.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020281325	1	49	-1.0	-51.83	395.85	2.91	-48.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020281326	0	52	-1.0	-46.87	414.09	3.45	-43.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020281326	1	52	-1.0	-46.86	414.15	3.48	-43.38
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020281327	0	58	-1.0	-42.07	441.70	7.81	-34.26
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020281327	1	58	-1.0	-42.04	441.76	7.82	-34.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020281328	0	55	-1.0	-42.72	420.19	7.01	-35.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020281328	1	55	-1.0	-42.71	420.27	7.04	-35.67
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CS1	REAL300020281329	0	52	-1.0	-40.97	435.49	8.11	-32.86
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CS1	REAL300020281329	1	52	-1.0	-40.94	435.55	8.12	-32.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CS1	REAL300020281330	0	49	-1.0	-42.09	417.00	7.52	-34.57
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CS1	REAL300020281330	1	49	-1.0	-42.12	417.06	7.54	-34.58
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020281331	0	50	-1.0	-43.37	388.13	5.86	-37.51
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020281331	1	50	-1.0	-43.38	388.19	5.87	-37.51
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020281332	0	47	-1.0	-42.70	377.11	6.46	-36.24
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020281332	1	47	-1.0	-42.70	377.16	6.49	-36.21
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC21	REAL300020281333	0	54	-1.0	-44.75	416.44	7.75	-37.00
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC21	REAL300020281333	1	54	-1.0	-44.76	416.50	7.73	-37.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020281334	0	61	-1.0	-46.54	446.40	8.58	-37.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020281334	1	61	-1.0	-46.57	446.46	8.60	-37.97
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020281335	0	61	-1.0	-42.18	448.01	9.37	-32.81
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020281335	1	61	-1.0	-42.16	448.06	9.38	-32.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020281336	0	58	-1.0	-47.30	425.93	8.83	-38.47
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020281336	1	58	-1.0	-47.34	425.99	8.85	-38.49
C#CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281337	0	47	-1.0	-40.41	388.82	6.75	-33.66
C#CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281337	1	47	-1.0	-40.43	388.88	6.76	-33.67
C#CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281338	0	44	-1.0	-45.44	363.06	6.02	-39.42
C#CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281338	1	44	-1.0	-45.44	363.01	6.01	-39.43
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281339	0	51	-1.0	-43.19	412.40	8.82	-34.37
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281339	1	51	-1.0	-43.17	412.45	8.80	-34.37
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020281340	0	54	-1.0	-44.43	431.63	7.76	-36.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020281340	1	54	-1.0	-44.47	431.69	7.78	-36.69
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020281341	0	58	-1.0	-40.30	435.31	8.38	-31.92
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020281341	1	58	-1.0	-40.30	435.37	8.39	-31.91
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020281342	0	55	-1.0	-41.88	404.44	7.76	-34.12
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020281342	1	55	-1.0	-41.84	404.50	7.78	-34.06
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020281343	0	56	-1.0	-44.73	433.97	9.30	-35.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020281343	1	56	-1.0	-44.75	434.03	9.32	-35.43
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020281344	0	53	-1.0	-41.61	422.16	7.71	-33.90
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020281344	1	53	-1.0	-41.63	422.21	7.73	-33.90
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020281345	0	50	-1.0	-43.78	406.64	8.26	-35.52
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020281345	1	50	-1.0	-43.81	406.56	8.23	-35.58
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020281346	0	55	-1.0	-43.50	438.00	4.75	-38.75
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020281346	1	55	-1.0	-43.46	438.05	4.77	-38.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020281347	0	52	-1.0	-43.52	423.78	3.86	-39.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020281347	1	52	-1.0	-43.55	423.83	3.88	-39.67
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020281348	0	54	-1.0	-49.78	433.52	9.06	-40.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020281348	1	54	-1.0	-49.78	433.57	9.07	-40.71
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020281349	0	55	-1.0	-41.55	432.77	7.32	-34.23
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020281349	1	55	-1.0	-41.55	432.83	7.33	-34.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020281350	0	52	-1.0	-43.09	408.22	6.36	-36.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020281350	1	52	-1.0	-43.10	408.27	6.37	-36.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020281351	0	56	-1.0	-42.97	436.98	8.42	-34.55
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020281351	1	56	-1.0	-43.00	437.04	8.44	-34.56
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020281352	0	53	-1.0	-42.81	423.76	8.39	-34.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020281352	1	53	-1.0	-42.85	423.81	8.41	-34.44
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281353	0	53	-1.0	-42.57	428.59	7.64	-34.93
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281353	1	53	-1.0	-42.60	428.65	7.65	-34.95
C=CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281354	0	50	-1.0	-41.77	404.91	7.41	-34.36
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281354	1	50	-1.0	-41.80	404.96	7.43	-34.37
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281355	0	53	-1.0	-45.11	439.68	8.19	-36.92
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281355	1	53	-1.0	-45.10	439.73	8.22	-36.88
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020281356	0	52	-1.0	-49.14	422.66	7.92	-41.22
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020281356	1	52	-1.0	-49.16	422.73	7.94	-41.22
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020281357	0	50	-1.0	-47.29	396.72	10.60	-36.69
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020281357	1	50	-1.0	-47.33	396.78	10.62	-36.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020281358	0	47	-1.0	-52.90	374.66	10.01	-42.89
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020281358	1	47	-1.0	-52.88	374.61	9.99	-42.89
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020281359	0	52	-1.0	-43.06	423.62	9.64	-33.42
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020281359	1	52	-1.0	-43.10	423.67	9.65	-33.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020281360	0	49	-1.0	-46.95	405.54	9.01	-37.94
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020281360	1	49	-1.0	-46.95	405.49	8.98	-37.97
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020281361	0	52	-1.0	-43.27	419.67	9.50	-33.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020281361	1	52	-1.0	-43.25	419.73	9.52	-33.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020281362	0	49	-1.0	-46.75	402.17	8.86	-37.89
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020281362	1	49	-1.0	-46.71	402.11	8.83	-37.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020281363	0	55	-1.0	-43.09	448.39	10.41	-32.68
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020281363	1	55	-1.0	-43.06	448.45	10.43	-32.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020281364	0	52	-1.0	-47.08	426.93	9.65	-37.43
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020281364	1	52	-1.0	-47.07	426.88	9.63	-37.44
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020281365	0	55	-1.0	-43.46	424.66	11.06	-32.40
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020281365	1	55	-1.0	-43.47	424.72	11.07	-32.40
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020281366	0	52	-1.0	-47.85	400.45	10.55	-37.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020281366	1	52	-1.0	-47.88	400.40	10.54	-37.34
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020281367	0	58	-1.0	-42.77	458.48	10.75	-32.02
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020281367	1	58	-1.0	-42.73	458.54	10.76	-31.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020281368	0	55	-1.0	-46.15	440.96	10.10	-36.05
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020281368	1	55	-1.0	-46.14	440.90	10.08	-36.06
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020281369	0	56	-1.0	-48.04	434.28	11.81	-36.23
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020281369	1	56	-1.0	-48.00	434.33	11.83	-36.17
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020281370	0	53	-1.0	-53.15	412.24	11.30	-41.85
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020281370	1	53	-1.0	-53.11	412.19	11.27	-41.84
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020281371	0	53	-1.0	-47.39	418.20	11.28	-36.11
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020281371	1	53	-1.0	-47.36	418.26	11.30	-36.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020281372	0	50	-1.0	-52.95	396.07	10.67	-42.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020281372	1	50	-1.0	-52.90	396.00	10.66	-42.24
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020281373	0	56	-1.0	-51.07	427.83	11.61	-39.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020281373	1	56	-1.0	-51.08	427.77	11.59	-39.49
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020281374	0	58	-1.0	-42.83	465.82	11.01	-31.82
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020281374	1	58	-1.0	-42.82	465.88	11.03	-31.79
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020281375	0	55	-1.0	-47.15	444.34	10.25	-36.90
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020281375	1	55	-1.0	-47.16	444.27	10.23	-36.93
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020281376	0	54	-1.0	-46.83	428.70	11.92	-34.91
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020281376	1	54	-1.0	-46.83	428.76	11.94	-34.89
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020281377	0	51	-1.0	-52.50	406.60	11.32	-41.18
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020281377	1	51	-1.0	-52.47	406.56	11.31	-41.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020281378	0	54	-1.0	-47.39	423.02	11.60	-35.79
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020281378	1	54	-1.0	-47.38	422.96	11.58	-35.80
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020281379	0	59	-1.0	-43.24	465.20	5.64	-37.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020281379	1	59	-1.0	-43.28	465.25	5.65	-37.63
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020281380	0	56	-1.0	-44.98	438.93	5.05	-39.93
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020281380	1	56	-1.0	-45.00	438.99	5.06	-39.94
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020281381	0	50	-1.0	-44.74	405.43	7.40	-37.34
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020281381	1	50	-1.0	-44.75	405.49	7.42	-37.33
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020281382	0	56	-1.0	-43.29	439.79	9.52	-33.77
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020281382	1	56	-1.0	-43.28	439.85	9.54	-33.74
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020281383	0	52	-1.0	-42.90	423.02	6.78	-36.12
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020281383	1	52	-1.0	-42.87	423.08	6.79	-36.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020281384	0	49	-1.0	-42.86	401.49	5.99	-36.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020281384	1	49	-1.0	-42.84	401.55	6.01	-36.83
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC1	REAL300020281385	0	49	-1.0	-41.96	385.59	6.90	-35.06
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC1	REAL300020281385	1	49	-1.0	-41.97	385.65	6.91	-35.06
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC1	REAL300020281386	0	46	-1.0	-42.43	374.47	6.12	-36.31
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC1	REAL300020281386	1	46	-1.0	-42.37	374.53	6.13	-36.24
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1	REAL300020281387	0	53	-1.0	-43.57	418.49	8.90	-34.67
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC1	REAL300020281387	1	53	-1.0	-43.62	418.52	8.89	-34.73
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020281388	0	52	-1.0	-49.04	416.63	3.46	-45.58
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020281388	1	52	-1.0	-49.01	416.69	3.49	-45.52
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020281389	0	59	-1.0	-42.87	444.27	8.78	-34.09
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020281389	1	59	-1.0	-42.90	444.32	8.79	-34.11
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020281390	0	56	-1.0	-47.94	417.33	8.09	-39.85
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020281390	1	56	-1.0	-47.95	417.39	8.11	-39.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020281391	0	56	-1.0	-44.15	449.64	9.63	-34.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020281391	1	56	-1.0	-44.24	449.70	9.66	-34.58
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020281392	0	61	-1.0	-41.73	456.09	8.69	-33.04
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020281392	1	61	-1.0	-41.73	456.14	8.71	-33.02
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020281393	0	58	-1.0	-43.46	434.76	8.60	-34.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020281393	1	58	-1.0	-43.40	434.81	8.63	-34.77
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C)CC1	REAL300020281394	0	50	-1.0	-41.24	399.46	7.59	-33.65
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C)CC1	REAL300020281394	1	50	-1.0	-41.23	399.52	7.60	-33.63
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C)CC1	REAL300020281395	0	47	-1.0	-42.74	377.88	6.79	-35.95
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C)CC1	REAL300020281395	1	47	-1.0	-42.72	377.93	6.82	-35.90
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C)CC1	REAL300020281396	0	54	-1.0	-43.09	423.15	9.48	-33.61
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C)CC1	REAL300020281396	1	54	-1.0	-43.09	423.15	9.47	-33.62
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020281397	0	53	-1.0	-40.58	424.64	6.98	-33.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020281397	1	53	-1.0	-40.56	424.69	6.99	-33.57
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020281398	0	50	-1.0	-41.13	406.49	6.01	-35.12
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020281398	1	50	-1.0	-41.16	406.55	6.04	-35.12
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020281399	0	52	-1.0	-42.70	409.53	7.13	-35.57
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020281399	1	52	-1.0	-42.74	409.58	7.15	-35.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020281400	0	49	-1.0	-42.77	392.17	6.39	-36.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020281400	1	49	-1.0	-42.81	392.22	6.42	-36.39
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020281401	0	56	-1.0	-43.48	441.21	9.30	-34.18
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020281401	1	56	-1.0	-43.43	441.25	9.29	-34.14
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020281402	0	61	-1.0	-42.06	459.54	8.16	-33.90
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020281402	1	61	-1.0	-42.13	459.60	8.17	-33.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020281403	0	58	-1.0	-42.64	440.38	7.51	-35.13
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020281403	1	58	-1.0	-42.69	440.44	7.53	-35.16
C#CCN(CC#CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281404	0	49	-1.0	-43.12	411.32	8.16	-34.96
C#CCN(CC#CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281404	1	49	-1.0	-43.08	411.37	8.18	-34.90
C#CCN(CC#CC)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281405	0	46	-1.0	-42.92	396.70	7.29	-35.63
C#CCN(CC#CC)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281405	1	46	-1.0	-42.87	397.39	7.34	-35.53
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(C)C1	REAL300020281406	0	53	-1.0	-40.63	422.27	8.02	-32.61
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(C)C1	REAL300020281406	1	53	-1.0	-40.59	422.32	8.03	-32.56
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(C)C1	REAL300020281407	0	50	-1.0	-43.11	392.44	6.70	-36.41
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(C)C1	REAL300020281407	1	50	-1.0	-43.11	392.50	6.72	-36.39
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CCC1	REAL300020281408	0	55	-1.0	-42.09	425.88	7.52	-34.57
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CCC1	REAL300020281408	1	55	-1.0	-42.10	425.93	7.54	-34.56
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CCC1	REAL300020281409	0	52	-1.0	-48.40	403.22	6.95	-41.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CCC1	REAL300020281409	1	52	-1.0	-48.36	403.28	6.95	-41.41
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020281410	0	54	-1.0	-43.34	394.81	6.48	-36.86
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020281410	1	54	-1.0	-43.30	394.86	6.49	-36.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020281411	0	51	-1.0	-49.43	375.01	5.97	-43.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020281411	1	51	-1.0	-49.39	375.06	5.99	-43.40
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCSC	REAL300020281412	0	49	-1.0	-43.38	406.80	6.97	-36.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCSC	REAL300020281412	1	49	-1.0	-43.39	406.86	6.98	-36.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCSC	REAL300020281413	0	46	-1.0	-42.81	392.59	6.09	-36.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCSC	REAL300020281413	1	46	-1.0	-42.84	392.65	6.12	-36.72
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)CC1	REAL300020281414	0	58	-1.0	-41.13	440.31	8.68	-32.45
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)CC1	REAL300020281414	1	58	-1.0	-41.14	440.37	8.70	-32.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)CC1	REAL300020281415	0	55	-1.0	-45.73	418.58	8.07	-37.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)CC1	REAL300020281415	1	55	-1.0	-45.77	418.64	8.09	-37.68
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(SC)C1	REAL300020281416	0	56	-1.0	-42.08	447.89	8.63	-33.45
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(SC)C1	REAL300020281416	1	56	-1.0	-42.09	447.95	8.64	-33.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(SC)C1	REAL300020281417	0	53	-1.0	-49.14	422.36	7.90	-41.24
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(SC)C1	REAL300020281417	1	53	-1.0	-49.16	422.41	7.91	-41.25
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020281418	0	58	-1.0	-40.84	440.50	8.23	-32.61
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020281418	1	58	-1.0	-40.84	440.56	8.24	-32.60
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020281419	0	55	-1.0	-42.25	414.14	8.70	-33.55
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020281419	1	55	-1.0	-42.26	414.20	8.73	-33.53
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020281420	0	57	-1.0	-45.38	437.86	7.01	-38.37
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020281420	1	57	-1.0	-45.36	437.92	7.03	-38.33
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020281421	0	54	-1.0	-44.83	416.55	5.66	-39.17
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020281421	1	54	-1.0	-44.87	416.61	5.67	-39.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020281422	0	59	-1.0	-40.84	453.48	9.22	-31.62
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020281422	1	59	-1.0	-40.85	453.53	9.24	-31.61
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020281423	0	56	-1.0	-42.41	431.89	8.43	-33.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020281423	1	56	-1.0	-42.40	431.95	8.45	-33.95
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020281424	0	57	-1.0	-42.57	432.03	6.30	-36.27
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020281424	1	57	-1.0	-42.56	432.08	6.32	-36.24
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020281425	0	54	-1.0	-44.42	426.04	4.10	-40.32
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020281425	1	54	-1.0	-44.46	426.10	4.12	-40.34
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020281426	0	59	0.0	-65.77	441.99	9.28	-56.49
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020281426	1	59	0.0	-63.43	445.98	8.50	-54.93
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020281426	1	59	0.0	-65.76	442.05	9.30	-56.46
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020281426	1	59	0.0	-63.43	446.04	8.51	-54.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020281427	0	56	0.0	-67.06	414.15	8.61	-58.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020281427	1	56	0.0	-68.64	427.63	8.08	-60.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020281427	1	56	0.0	-67.07	414.20	8.64	-58.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020281427	1	56	0.0	-68.66	427.68	8.11	-60.55
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020281428	0	56	-1.0	-41.47	426.89	7.40	-34.07
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020281428	1	56	-1.0	-41.44	426.94	7.42	-34.02
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020281429	0	53	-1.0	-43.84	405.29	7.10	-36.74
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020281429	1	53	-1.0	-43.82	405.33	7.12	-36.70
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020281430	0	59	-1.0	-43.45	452.65	8.84	-34.61
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020281430	1	59	-1.0	-43.46	452.71	8.86	-34.60
C=CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC)C1CC1	REAL300020281431	0	50	-1.0	-42.73	404.97	7.30	-35.43
C=CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC)C1CC1	REAL300020281431	1	50	-1.0	-42.71	405.03	7.32	-35.39
C=CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC)C1CC1	REAL300020281432	0	47	-1.0	-46.20	379.60	6.55	-39.65
C=CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC)C1CC1	REAL300020281432	1	47	-1.0	-46.16	379.55	6.54	-39.62
C=CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC)C1CC1	REAL300020281433	0	54	-1.0	-42.38	437.93	9.68	-32.70
C=CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC)C1CC1	REAL300020281433	1	54	-1.0	-42.33	437.99	9.66	-32.67
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(COC)C1	REAL300020281434	0	59	-1.0	-40.59	458.75	7.28	-33.31
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(COC)C1	REAL300020281434	1	59	-1.0	-40.61	458.81	7.30	-33.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(COC)C1	REAL300020281435	0	56	-1.0	-44.32	425.52	6.85	-37.47
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(COC)C1	REAL300020281435	1	56	-1.0	-44.34	425.58	6.87	-37.47
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1CC	REAL300020281436	0	55	-1.0	-41.39	425.21	7.08	-34.31
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1CC	REAL300020281436	1	55	-1.0	-41.38	425.27	7.09	-34.29
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1CC	REAL300020281437	0	52	-1.0	-42.72	403.72	6.29	-36.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1CC	REAL300020281437	1	52	-1.0	-42.73	403.77	6.32	-36.41
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(COC)CC1	REAL300020281438	0	54	-1.0	-42.13	431.13	6.88	-35.25
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(COC)CC1	REAL300020281438	1	54	-1.0	-42.12	431.19	6.90	-35.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(COC)CC1	REAL300020281439	0	51	-1.0	-43.27	409.55	6.09	-37.18
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(COC)CC1	REAL300020281439	1	51	-1.0	-43.31	409.60	6.11	-37.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1C	REAL300020281440	0	55	-1.0	-43.76	418.42	8.06	-35.70
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1C	REAL300020281440	1	55	-1.0	-43.82	418.48	8.07	-35.75
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1C	REAL300020281441	0	52	-1.0	-44.36	398.73	7.25	-37.11
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1C	REAL300020281441	1	52	-1.0	-44.39	398.79	7.27	-37.12
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020281442	0	56	-1.0	-43.11	441.93	9.58	-33.53
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020281442	1	56	-1.0	-43.16	441.99	9.60	-33.56
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCSC	REAL300020281443	0	52	-1.0	-41.84	428.31	7.76	-34.08
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCSC	REAL300020281443	1	52	-1.0	-41.86	428.37	7.78	-34.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCSC	REAL300020281444	0	49	-1.0	-41.85	414.09	6.88	-34.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCSC	REAL300020281444	1	49	-1.0	-41.85	414.14	6.90	-34.95
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020281445	0	55	-1.0	-47.05	426.78	7.10	-39.95
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020281445	1	55	-1.0	-47.07	426.83	7.11	-39.96
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020281446	0	56	-1.0	-41.44	442.52	9.43	-32.01
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020281446	1	56	-1.0	-41.45	442.58	9.44	-32.01
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020281447	0	53	-1.0	-47.34	420.59	8.82	-38.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020281447	1	53	-1.0	-47.39	420.65	8.84	-38.55
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020281448	0	50	-1.0	-42.43	392.79	4.83	-37.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020281448	1	50	-1.0	-42.42	392.85	4.84	-37.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020281449	0	47	-1.0	-47.19	362.74	4.19	-43.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020281449	1	47	-1.0	-47.17	362.78	4.21	-42.96
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020281450	0	54	-1.0	-43.49	424.72	6.96	-36.53
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020281450	1	54	-1.0	-43.43	424.75	6.94	-36.49
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC#N	REAL300020281451	0	49	-1.0	-48.48	389.04	6.71	-41.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC#N	REAL300020281451	1	49	-1.0	-48.48	389.10	6.72	-41.76
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC#N	REAL300020281452	0	46	-1.0	-46.79	380.61	6.10	-40.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC#N	REAL300020281452	1	46	-1.0	-46.81	380.66	6.13	-40.68
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020281453	0	53	-1.0	-50.51	425.33	8.94	-41.57
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020281453	1	53	-1.0	-50.35	425.33	8.93	-41.42
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020281454	0	53	-1.0	-43.44	430.34	7.62	-35.82
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020281454	1	53	-1.0	-43.46	430.40	7.64	-35.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020281455	0	50	-1.0	-43.77	408.83	6.71	-37.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020281455	1	50	-1.0	-43.75	408.89	6.73	-37.02
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CCOC	REAL300020281456	0	53	-1.0	-45.39	434.69	5.18	-40.21
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CCOC	REAL300020281456	1	53	-1.0	-45.44	434.75	5.19	-40.25
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CCOC	REAL300020281457	0	50	-1.0	-44.93	413.13	4.39	-40.54
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CCOC	REAL300020281457	1	50	-1.0	-45.00	413.21	4.42	-40.58
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CCC(C)C	REAL300020281458	0	58	-1.0	-43.23	460.46	8.08	-35.15
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CCC(C)C	REAL300020281458	1	58	-1.0	-43.20	460.52	8.09	-35.11
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CCC(C)C	REAL300020281459	0	55	-1.0	-43.33	440.73	7.35	-35.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CCC(C)C	REAL300020281459	1	55	-1.0	-43.35	440.78	7.38	-35.97
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020281460	0	50	-1.0	-42.93	396.07	3.85	-39.08
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020281460	1	50	-1.0	-42.94	396.13	3.86	-39.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020281461	0	47	-1.0	-45.19	370.33	3.11	-42.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020281461	1	47	-1.0	-45.21	370.38	3.14	-42.07
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020281462	0	56	-1.0	-41.45	448.85	9.60	-31.85
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020281462	1	56	-1.0	-41.42	448.91	9.62	-31.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020281463	0	53	-1.0	-43.07	421.22	8.95	-34.12
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020281463	1	53	-1.0	-43.03	421.28	8.97	-34.06
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020281464	0	52	-1.0	-40.79	430.54	8.23	-32.56
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020281464	1	52	-1.0	-40.81	430.60	8.25	-32.56
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020281465	0	49	-1.0	-42.31	401.77	7.35	-34.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020281465	1	49	-1.0	-42.26	401.83	7.38	-34.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC1	REAL300020281466	0	47	-1.0	-41.19	377.34	6.72	-34.47
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC1	REAL300020281466	1	47	-1.0	-41.17	377.40	6.74	-34.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC1	REAL300020281467	0	44	-1.0	-46.58	358.89	6.28	-40.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC1	REAL300020281467	1	44	-1.0	-46.59	358.84	6.27	-40.32
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC1	REAL300020281468	0	51	-1.0	-42.03	413.34	8.77	-33.26
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC1	REAL300020281468	1	51	-1.0	-42.93	404.79	8.82	-34.11
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)CC	REAL300020281469	0	60	-1.0	-42.93	457.62	8.38	-34.55
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)CC	REAL300020281469	1	60	-1.0	-42.93	457.67	8.40	-34.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)CC	REAL300020281470	0	57	-1.0	-46.34	434.63	9.07	-37.27
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)CC	REAL300020281470	1	57	-1.0	-46.32	434.68	9.09	-37.23
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CC1	REAL300020281471	0	58	-1.0	-41.53	459.36	8.85	-32.68
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CC1	REAL300020281471	1	58	-1.0	-41.58	459.41	8.87	-32.71
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CC1	REAL300020281472	0	55	-1.0	-42.33	437.54	8.51	-33.82
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CC1	REAL300020281472	1	55	-1.0	-42.35	437.60	8.54	-33.81
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281473	0	56	-1.0	-43.26	448.62	9.16	-34.10
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281473	1	56	-1.0	-43.29	448.67	9.18	-34.11
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281474	0	53	-1.0	-44.54	430.07	8.36	-36.18
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281474	1	53	-1.0	-44.48	430.01	8.34	-36.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CO1	REAL300020281475	0	53	-1.0	-47.28	433.56	5.28	-42.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CO1	REAL300020281475	1	53	-1.0	-47.26	433.62	5.32	-41.94
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC(C)C	REAL300020281476	0	58	-1.0	-44.78	454.13	6.26	-38.52
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC(C)C	REAL300020281476	1	58	-1.0	-44.75	454.19	6.28	-38.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC(C)C	REAL300020281477	0	55	-1.0	-45.03	430.27	5.69	-39.34
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC(C)C	REAL300020281477	1	55	-1.0	-45.03	430.33	5.72	-39.31
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020281478	0	61	-1.0	-42.24	461.45	8.78	-33.46
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020281478	1	61	-1.0	-42.26	461.51	8.80	-33.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020281479	0	58	-1.0	-43.61	439.84	7.95	-35.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020281479	1	58	-1.0	-43.64	439.90	7.98	-35.66
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020281480	0	58	-1.0	-42.57	462.95	10.12	-32.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020281480	1	58	-1.0	-42.56	463.01	10.15	-32.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020281481	0	61	-1.0	-42.32	461.20	8.61	-33.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CCCC1	REAL300020281481	1	61	-1.0	-42.30	461.26	8.62	-33.68
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC1=CC=CS1	REAL300020281482	0	52	-1.0	-44.47	430.67	7.72	-36.75
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC1=CC=CS1	REAL300020281482	1	52	-1.0	-44.45	430.72	7.74	-36.71
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC1C	REAL300020281483	0	50	-1.0	-42.39	398.52	4.67	-37.72
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC1C	REAL300020281483	1	50	-1.0	-42.46	398.58	4.68	-37.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC1C	REAL300020281484	0	47	-1.0	-46.83	371.73	3.88	-42.95
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC1C	REAL300020281484	1	47	-1.0	-46.84	371.80	3.89	-42.95
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1C	REAL300020281485	0	54	-1.0	-44.07	425.97	6.60	-37.47
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1C	REAL300020281485	1	54	-1.0	-44.05	425.99	6.58	-37.47
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(C)C)C(C)C	REAL300020281486	0	57	-1.0	-42.39	427.63	6.92	-35.47
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(C)C)C(C)C	REAL300020281486	1	57	-1.0	-42.37	427.68	6.93	-35.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)C(C)C	REAL300020281487	0	54	-1.0	-44.04	408.34	6.06	-37.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)C(C)C	REAL300020281487	1	54	-1.0	-44.07	408.40	6.08	-37.99
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(C)C	REAL300020281488	0	54	-1.0	-42.03	419.25	7.13	-34.90
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(C)C	REAL300020281488	1	54	-1.0	-42.03	419.31	7.15	-34.88
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(C)C	REAL300020281489	0	51	-1.0	-44.91	400.44	6.27	-38.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(C)C	REAL300020281489	1	51	-1.0	-44.86	400.49	6.29	-38.57
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(C)C	REAL300020281490	0	58	-1.0	-43.45	455.47	10.08	-33.37
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(C)C	REAL300020281490	1	58	-1.0	-43.35	455.52	10.07	-33.28
CCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281491	0	54	-1.0	-42.40	410.71	7.90	-34.50
CCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281491	1	54	-1.0	-42.39	410.77	7.91	-34.48
CCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281492	0	51	-1.0	-41.52	402.27	7.28	-34.24
CCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281492	1	51	-1.0	-41.48	402.33	7.31	-34.17
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281493	0	58	-1.0	-43.25	446.93	10.13	-33.12
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281493	1	58	-1.0	-43.27	446.96	10.12	-33.15
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020281494	0	54	-1.0	-43.08	441.66	6.36	-36.72
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020281494	1	54	-1.0	-43.06	441.72	6.37	-36.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020281495	0	51	-1.0	-47.36	410.06	4.47	-42.89
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020281495	1	51	-1.0	-47.39	410.12	4.50	-42.89
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020281496	0	53	-1.0	-42.05	439.82	5.84	-36.21
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020281496	1	53	-1.0	-42.06	439.88	5.85	-36.21
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020281497	0	50	-1.0	-43.85	405.70	5.33	-38.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020281497	1	50	-1.0	-43.88	405.75	5.36	-38.52
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC1=CC=CC=C1	REAL300020281498	0	58	-1.0	-43.59	461.73	9.52	-34.07
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC1=CC=CC=C1	REAL300020281498	1	58	-1.0	-43.62	461.79	9.54	-34.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC1=CC=CC=C1	REAL300020281499	0	55	-1.0	-45.18	438.57	8.55	-36.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC1=CC=CC=C1	REAL300020281499	1	55	-1.0	-45.18	438.63	8.58	-36.60
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020281500	0	59	-1.0	-46.66	454.12	9.33	-37.33
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020281500	1	59	-1.0	-46.68	454.18	9.35	-37.33
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020281501	0	61	0.0	-62.99	458.73	7.89	-55.10
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020281501	1	61	0.0	-63.02	458.79	7.91	-55.11
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCOC)CCOC	REAL300020281502	0	59	-1.0	-42.54	463.49	4.71	-37.83
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCOC)CCOC	REAL300020281502	1	59	-1.0	-42.55	463.55	4.73	-37.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCOC)CCOC	REAL300020281503	0	56	-1.0	-43.85	443.05	4.00	-39.85
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCOC)CCOC	REAL300020281503	1	56	-1.0	-43.90	443.11	4.03	-39.87
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020281504	0	61	-1.0	-41.83	432.69	8.79	-33.04
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020281504	1	61	-1.0	-41.82	432.75	8.81	-33.01
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020281505	0	56	-1.0	-41.95	440.03	5.94	-36.01
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020281505	1	56	-1.0	-41.94	440.09	5.96	-35.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020281506	0	53	-1.0	-43.32	418.11	5.15	-38.17
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020281506	1	53	-1.0	-43.33	418.17	5.18	-38.15
C=CCC1N(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CCCC1(C)C	REAL300020281507	0	59	-1.0	-42.75	440.31	7.65	-35.10
C=CCC1N(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CCCC1(C)C	REAL300020281507	1	59	-1.0	-42.79	440.36	7.67	-35.12
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C)C1	REAL300020281508	0	50	-1.0	-42.48	396.94	6.59	-35.89
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C)C1	REAL300020281508	1	50	-1.0	-42.47	397.00	6.61	-35.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C)C1	REAL300020281509	0	47	-1.0	-42.29	376.57	6.56	-35.73
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C)C1	REAL300020281509	1	47	-1.0	-42.28	376.52	6.53	-35.75
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC=C(C)C1	REAL300020281510	0	54	-1.0	-43.13	421.02	9.19	-33.94
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC=C(C)C1	REAL300020281510	1	54	-1.0	-43.15	421.05	9.18	-33.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020281511	0	44	-1.0	-47.74	372.83	6.00	-41.74
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020281511	1	44	-1.0	-47.71	372.88	6.01	-41.70
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020281512	0	59	-1.0	-40.83	447.19	6.84	-33.99
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020281512	1	59	-1.0	-40.83	447.25	6.86	-33.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020281513	0	56	-1.0	-41.64	429.47	6.13	-35.51
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020281513	1	56	-1.0	-41.64	429.53	6.15	-35.49
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020281514	0	59	-1.0	-41.36	461.02	9.49	-31.87
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020281514	1	59	-1.0	-41.38	461.08	9.50	-31.88
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020281515	0	56	-1.0	-44.73	431.34	8.14	-36.59
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020281515	1	56	-1.0	-44.72	431.45	8.17	-36.55
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020281516	0	50	-1.0	-43.18	408.93	5.47	-37.71
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020281516	1	50	-1.0	-43.16	408.98	5.48	-37.68
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020281517	0	47	-1.0	-44.38	389.84	4.87	-39.51
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020281517	1	47	-1.0	-44.44	389.90	4.90	-39.54
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020281518	0	53	-1.0	-43.73	420.14	8.08	-35.65
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020281518	1	53	-1.0	-43.76	420.20	8.09	-35.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020281519	0	50	-1.0	-44.71	399.06	7.33	-37.38
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020281519	1	50	-1.0	-44.69	399.01	7.31	-37.38
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020281520	0	59	-1.0	-47.50	434.26	9.27	-38.23
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020281520	1	59	-1.0	-47.46	434.32	9.28	-38.18
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020281521	0	52	-1.0	-53.03	429.73	3.15	-49.88
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020281521	1	52	-1.0	-53.09	429.79	3.16	-49.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020281522	0	49	-1.0	-51.85	395.80	2.89	-48.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020281522	1	49	-1.0	-51.83	395.85	2.91	-48.92
CCCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281523	0	54	-1.0	-42.13	432.53	7.20	-34.93
CCCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281523	1	54	-1.0	-42.12	432.58	7.21	-34.91
CCCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281524	0	51	-1.0	-46.85	401.40	6.82	-40.03
CCCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281524	1	51	-1.0	-46.89	401.47	6.83	-40.06
CCCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281525	0	58	-1.0	-43.18	459.08	9.02	-34.16
CCCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281525	1	58	-1.0	-43.22	459.08	9.01	-34.21
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281526	0	50	-1.0	-41.59	415.80	7.11	-34.48
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281526	1	50	-1.0	-41.55	415.86	7.12	-34.43
C=CCN(CC=C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281527	0	47	-1.0	-43.15	394.25	6.67	-36.48
C=CCN(CC=C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281527	1	47	-1.0	-43.14	394.19	6.64	-36.50
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281528	0	54	-1.0	-42.54	443.42	8.94	-33.60
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281528	1	54	-1.0	-42.51	443.44	8.93	-33.58
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CCOC	REAL300020281529	0	56	-1.0	-45.53	443.94	3.92	-41.61
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CCOC	REAL300020281529	1	56	-1.0	-45.48	444.00	3.94	-41.54
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CCOC	REAL300020281530	0	53	-1.0	-46.75	422.45	3.13	-43.62
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CCOC	REAL300020281530	1	53	-1.0	-46.75	422.50	3.15	-43.60
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020281531	0	53	-1.0	-44.33	422.68	4.87	-39.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020281531	1	53	-1.0	-44.30	422.74	4.89	-39.41
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCCCC1	REAL300020281532	0	58	-1.0	-42.86	442.20	7.59	-35.27
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCCCC1	REAL300020281532	1	58	-1.0	-42.90	442.26	7.60	-35.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCCCC1	REAL300020281533	0	55	-1.0	-43.64	424.84	6.66	-36.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCCCC1	REAL300020281533	1	55	-1.0	-43.64	424.90	6.69	-36.95
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020281534	0	55	-1.0	-41.89	439.90	8.84	-33.05
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020281534	1	55	-1.0	-41.86	439.96	8.85	-33.01
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020281535	0	52	-1.0	-42.58	426.49	8.21	-34.37
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020281535	1	52	-1.0	-42.61	426.42	8.18	-34.43
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020281536	0	55	-1.0	-41.56	413.76	8.94	-32.62
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020281536	1	55	-1.0	-41.58	413.82	8.96	-32.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020281537	0	52	-1.0	-46.57	391.87	8.33	-38.24
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020281537	1	52	-1.0	-46.64	391.93	8.34	-38.30
CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281538	0	54	-1.0	-41.92	421.61	7.10	-34.82
CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281538	1	54	-1.0	-41.90	421.67	7.11	-34.79
CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281539	0	51	-1.0	-43.38	400.17	6.31	-37.07
CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281539	1	51	-1.0	-43.41	400.22	6.34	-37.07
CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281540	0	58	-1.0	-42.96	449.64	9.12	-33.84
CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281540	1	58	-1.0	-42.90	449.67	9.12	-33.78
CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281541	0	55	-1.0	-42.57	436.91	7.76	-34.81
CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281541	1	55	-1.0	-42.65	436.97	7.77	-34.88
CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281542	0	52	-1.0	-43.20	413.66	7.14	-36.06
CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281542	1	52	-1.0	-43.19	413.72	7.16	-36.03
C=C(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281543	0	52	-1.0	-41.54	412.39	6.77	-34.77
C=C(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281543	1	52	-1.0	-41.53	412.44	6.78	-34.75
C=C(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281544	0	49	-1.0	-43.18	390.87	5.96	-37.22
C=C(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281544	1	49	-1.0	-43.14	390.82	5.92	-37.22
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281545	0	56	-1.0	-43.13	439.96	8.79	-34.34
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281545	1	56	-1.0	-43.07	440.00	8.78	-34.29
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281546	0	50	-1.0	-41.95	427.81	7.76	-34.19
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281546	1	50	-1.0	-41.95	427.76	7.74	-34.21
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020281547	0	58	-1.0	-42.17	461.44	10.20	-31.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020281547	1	58	-1.0	-42.20	461.50	10.22	-31.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCS(C)(=O)=O	REAL300020281548	0	51	-1.0	-57.94	420.80	2.30	-55.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCS(C)(=O)=O	REAL300020281548	1	51	-1.0	-57.98	420.86	2.32	-55.66
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020281549	0	52	-1.0	-56.04	436.91	3.18	-52.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020281549	1	52	-1.0	-56.01	436.97	3.21	-52.80
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC1CC1	REAL300020281550	0	55	-1.0	-42.32	433.38	7.92	-34.40
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC1CC1	REAL300020281550	1	55	-1.0	-42.32	433.44	7.93	-34.39
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC1CC1	REAL300020281551	0	52	-1.0	-43.05	412.06	7.19	-35.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC1CC1	REAL300020281551	1	52	-1.0	-43.06	412.12	7.21	-35.85
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSC	REAL300020281552	0	55	-1.0	-42.31	433.95	8.35	-33.96
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSC	REAL300020281552	1	55	-1.0	-42.36	434.01	8.37	-33.99
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSC	REAL300020281553	0	52	-1.0	-41.50	425.51	7.74	-33.76
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSC	REAL300020281553	1	52	-1.0	-41.48	425.56	7.76	-33.72
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020281554	0	48	-1.0	-45.16	398.10	6.03	-39.13
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020281554	1	48	-1.0	-45.14	398.16	6.04	-39.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020281555	0	45	-1.0	-45.51	382.90	5.15	-40.36
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020281555	1	45	-1.0	-45.49	382.97	5.18	-40.31
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020281556	0	61	0.0	-66.46	441.72	8.73	-57.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020281556	1	61	0.0	-64.63	450.87	8.71	-55.92
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020281556	1	61	0.0	-66.44	441.78	8.74	-57.70
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020281556	1	61	0.0	-64.63	450.93	8.72	-55.91
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020281557	0	58	0.0	-65.62	413.24	8.04	-57.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020281557	1	58	0.0	-65.89	425.29	7.97	-57.92
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020281557	1	58	0.0	-65.56	413.29	8.04	-57.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020281557	1	58	0.0	-65.88	425.34	7.99	-57.89
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281558	0	56	-1.0	-42.92	442.75	8.68	-34.24
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281558	1	56	-1.0	-42.92	442.65	8.66	-34.26
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020281559	0	59	-1.0	-42.15	461.46	7.48	-34.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020281559	1	59	-1.0	-42.17	461.52	7.50	-34.67
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C	REAL300020281560	0	52	-1.0	-42.21	411.05	7.44	-34.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C	REAL300020281560	1	52	-1.0	-42.23	411.10	7.45	-34.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C	REAL300020281561	0	49	-1.0	-42.75	393.12	6.77	-35.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C	REAL300020281561	1	49	-1.0	-42.76	393.18	6.80	-35.96
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020281562	0	56	-1.0	-42.73	442.91	9.52	-33.21
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020281562	1	56	-1.0	-42.74	442.73	9.50	-33.24
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020281563	0	56	-1.0	-41.48	458.38	9.77	-31.71
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020281563	1	56	-1.0	-41.47	458.44	9.78	-31.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020281564	0	53	-1.0	-42.44	437.18	9.02	-33.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020281564	1	53	-1.0	-42.46	437.24	9.05	-33.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020281565	0	47	-1.0	-41.61	395.48	7.15	-34.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020281565	1	47	-1.0	-41.61	395.53	7.17	-34.44
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020281566	0	53	-1.0	-46.34	424.13	4.43	-41.91
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020281566	1	53	-1.0	-46.35	424.19	4.44	-41.91
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020281567	0	50	-1.0	-51.70	402.48	3.79	-47.91
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020281567	1	50	-1.0	-51.68	402.53	3.82	-47.86
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020281568	0	54	-1.0	-43.51	431.03	9.54	-33.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020281568	1	54	-1.0	-43.51	431.09	9.57	-33.94
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020281569	0	56	-1.0	-41.87	445.49	8.68	-33.19
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020281569	1	56	-1.0	-41.88	445.55	8.70	-33.18
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020281570	0	53	-1.0	-45.45	412.48	7.52	-37.93
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020281570	1	53	-1.0	-45.51	412.54	7.55	-37.96
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281571	0	53	-1.0	-41.66	431.34	5.89	-35.77
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281571	1	53	-1.0	-41.67	431.40	5.90	-35.77
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281572	0	50	-1.0	-42.59	409.89	5.10	-37.49
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281572	1	50	-1.0	-42.59	409.95	5.13	-37.46
CCCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020281573	0	61	-1.0	-42.62	459.95	8.39	-34.23
CCCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020281573	1	61	-1.0	-42.62	460.00	8.42	-34.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020281574	0	57	-1.0	-41.96	437.48	7.79	-34.17
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020281574	1	57	-1.0	-41.93	437.54	7.80	-34.13
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020281575	0	54	-1.0	-43.51	416.24	7.06	-36.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020281575	1	54	-1.0	-43.48	416.30	7.07	-36.41
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC(C)C	REAL300020281576	0	61	-1.0	-43.21	463.91	8.77	-34.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC(C)C	REAL300020281576	1	61	-1.0	-43.25	463.96	8.78	-34.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC(C)C	REAL300020281577	0	58	-1.0	-42.67	445.12	7.44	-35.23
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC(C)C	REAL300020281577	1	58	-1.0	-42.70	445.20	7.46	-35.24
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CCCO1	REAL300020281578	0	56	-1.0	-43.68	435.06	5.79	-37.89
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CCCO1	REAL300020281578	1	56	-1.0	-43.67	435.12	5.80	-37.87
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CCCO1	REAL300020281579	0	53	-1.0	-46.35	413.56	5.01	-41.34
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CCCO1	REAL300020281579	1	53	-1.0	-46.32	413.62	5.03	-41.29
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020281580	0	50	-1.0	-43.43	387.58	6.30	-37.13
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020281580	1	50	-1.0	-43.48	387.64	6.32	-37.16
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020281581	0	47	-1.0	-45.20	366.09	5.51	-39.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020281581	1	47	-1.0	-45.22	366.15	5.53	-39.69
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020281582	0	54	-1.0	-43.73	415.54	8.64	-35.09
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020281582	1	54	-1.0	-43.73	415.57	8.63	-35.10
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020281583	0	56	-1.0	-43.92	444.90	9.75	-34.17
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020281583	1	56	-1.0	-43.94	444.96	9.76	-34.18
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020281584	0	53	-1.0	-47.05	418.46	9.08	-37.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020281584	1	53	-1.0	-47.05	418.51	9.10	-37.95
CCCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281585	0	61	-1.0	-43.74	461.19	8.97	-34.77
CCCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281585	1	61	-1.0	-43.74	461.24	8.98	-34.76
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020281586	0	55	-1.0	-44.46	448.59	6.74	-37.72
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020281586	1	55	-1.0	-44.48	448.53	6.73	-37.75
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020281587	0	52	-1.0	-45.33	430.05	6.16	-39.17
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020281587	1	52	-1.0	-45.35	430.00	6.13	-39.22
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020281588	0	50	-1.0	-42.50	407.66	8.22	-34.28
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020281588	1	50	-1.0	-42.50	407.71	8.24	-34.26
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020281589	0	47	-1.0	-43.12	386.20	7.46	-35.66
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020281589	1	47	-1.0	-43.11	386.14	7.44	-35.67
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020281590	0	50	-1.0	-41.98	417.36	7.96	-34.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020281590	1	50	-1.0	-41.96	417.42	7.99	-33.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020281591	0	53	-1.0	-43.54	431.79	4.70	-38.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020281591	1	53	-1.0	-43.57	431.85	4.73	-38.84
CCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020281592	0	59	-1.0	-45.54	452.43	7.31	-38.23
CCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020281592	1	59	-1.0	-45.59	452.49	7.32	-38.27
CCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281593	0	58	-1.0	-42.27	451.31	6.42	-35.85
CCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281593	1	58	-1.0	-42.31	451.37	6.44	-35.87
CCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281594	0	55	-1.0	-43.82	430.88	5.71	-38.11
CCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281594	1	55	-1.0	-43.79	430.93	5.74	-38.05
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020281595	0	53	-1.0	-45.51	427.01	5.21	-40.30
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020281595	1	53	-1.0	-45.54	427.07	5.23	-40.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020281596	0	50	-1.0	-46.34	395.17	3.94	-42.40
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020281596	1	50	-1.0	-46.25	395.23	3.97	-42.28
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC	REAL300020281597	0	52	-1.0	-42.73	393.80	6.71	-36.02
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC	REAL300020281597	1	52	-1.0	-42.70	393.86	6.72	-35.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC	REAL300020281598	0	49	-1.0	-48.99	374.33	6.33	-42.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC	REAL300020281598	1	49	-1.0	-49.00	374.38	6.35	-42.65
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CC	REAL300020281599	0	56	-1.0	-43.90	429.56	8.97	-34.93
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CC	REAL300020281599	1	56	-1.0	-43.78	429.60	8.96	-34.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(SCC)C1	REAL300020281600	0	56	-1.0	-48.73	443.20	8.83	-39.90
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(SCC)C1	REAL300020281600	1	56	-1.0	-48.71	443.26	8.85	-39.86
C=CCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281601	0	59	-1.0	-44.27	454.95	9.04	-35.23
C=CCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281601	1	59	-1.0	-44.29	455.00	9.06	-35.23
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020281602	0	52	-1.0	-42.70	409.53	7.13	-35.57
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020281602	1	52	-1.0	-42.74	409.58	7.15	-35.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020281603	0	49	-1.0	-42.77	392.17	6.39	-36.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020281603	1	49	-1.0	-42.81	392.22	6.42	-36.39
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020281604	0	56	-1.0	-43.48	441.21	9.30	-34.18
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020281604	1	56	-1.0	-43.43	441.25	9.29	-34.14
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020281605	0	56	-1.0	-44.45	453.21	5.00	-39.45
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020281605	1	56	-1.0	-44.47	453.27	5.01	-39.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020281606	0	53	-1.0	-45.32	431.38	4.65	-40.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020281606	1	53	-1.0	-45.32	431.43	4.67	-40.65
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020281607	0	50	-1.0	-45.05	405.43	7.39	-37.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020281607	1	50	-1.0	-45.08	405.48	7.41	-37.67
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020281608	0	51	-1.0	-52.66	421.96	3.66	-49.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020281608	1	51	-1.0	-52.63	422.02	3.68	-48.95
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020281609	0	56	-1.0	-41.77	441.74	9.43	-32.34
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020281609	1	56	-1.0	-41.79	441.80	9.44	-32.35
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020281610	0	53	-1.0	-43.33	411.17	8.58	-34.75
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020281610	1	53	-1.0	-43.34	411.22	8.60	-34.74
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020281611	0	50	-1.0	-40.75	411.18	6.33	-34.42
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020281611	1	50	-1.0	-40.77	411.23	6.34	-34.43
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020281612	0	47	-1.0	-45.28	385.67	5.54	-39.74
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020281612	1	47	-1.0	-45.28	385.70	5.57	-39.71
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020281613	0	54	-1.0	-49.86	420.93	5.24	-44.62
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020281613	1	54	-1.0	-49.87	420.99	5.26	-44.61
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020281614	0	56	-1.0	-41.77	434.52	8.23	-33.54
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020281614	1	56	-1.0	-41.79	434.58	8.25	-33.54
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020281615	0	53	-1.0	-46.99	410.55	7.52	-39.47
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020281615	1	53	-1.0	-47.02	410.60	7.53	-39.49
C#CCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281616	0	47	-1.0	-41.45	391.43	7.08	-34.37
C#CCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281616	1	47	-1.0	-41.52	391.49	7.09	-34.43
C#CCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281617	0	44	-1.0	-41.93	370.15	6.31	-35.62
C#CCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281617	1	44	-1.0	-41.90	370.10	6.28	-35.62
C#CCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281618	0	51	-1.0	-45.42	416.03	8.18	-37.24
C#CCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281618	1	51	-1.0	-45.36	416.07	8.17	-37.19
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281619	0	56	-1.0	-45.90	453.30	9.19	-36.71
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281619	1	56	-1.0	-45.82	453.35	9.22	-36.60
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOCC	REAL300020281620	0	55	-1.0	-41.70	428.75	5.99	-35.71
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOCC	REAL300020281620	1	55	-1.0	-41.72	428.81	6.01	-35.71
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOCC	REAL300020281621	0	52	-1.0	-42.36	409.96	5.35	-37.01
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOCC	REAL300020281621	1	52	-1.0	-42.33	410.01	5.37	-36.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020281622	0	54	-1.0	-46.69	428.56	6.62	-40.07
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020281622	1	54	-1.0	-46.69	428.62	6.65	-40.04
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281623	0	51	-1.0	-47.06	429.94	8.77	-38.29
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281623	1	51	-1.0	-47.07	430.00	8.78	-38.29
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCCC1	REAL300020281624	0	55	-1.0	-42.80	424.46	7.27	-35.53
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCCC1	REAL300020281624	1	55	-1.0	-42.80	424.52	7.28	-35.52
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCCC1	REAL300020281625	0	52	-1.0	-45.01	400.62	6.38	-38.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCCC1	REAL300020281625	1	52	-1.0	-45.00	400.67	6.41	-38.59
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020281626	0	55	-1.0	-42.67	442.48	5.19	-37.48
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020281626	1	55	-1.0	-42.66	442.54	5.20	-37.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020281627	0	52	-1.0	-44.00	427.58	4.28	-39.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020281627	1	52	-1.0	-44.02	427.64	4.31	-39.71
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020281628	0	52	-1.0	-41.78	431.32	8.06	-33.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020281628	1	52	-1.0	-41.80	431.38	8.09	-33.71
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020281629	0	56	-1.0	-45.24	430.36	6.64	-38.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020281629	1	56	-1.0	-45.29	430.42	6.65	-38.64
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020281630	0	53	-1.0	-47.33	409.58	5.87	-41.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020281630	1	53	-1.0	-47.36	409.64	5.90	-41.46
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020281631	0	56	-1.0	-44.10	439.60	10.11	-33.99
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020281631	1	56	-1.0	-44.05	439.66	10.12	-33.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020281632	0	53	-1.0	-45.17	415.76	8.77	-36.40
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020281632	1	53	-1.0	-45.19	415.82	8.79	-36.40
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020281633	0	50	-1.0	-43.69	411.26	7.33	-36.36
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020281633	1	50	-1.0	-43.71	411.32	7.34	-36.37
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020281634	0	47	-1.0	-44.33	389.84	6.54	-37.79
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020281634	1	47	-1.0	-44.34	389.90	6.56	-37.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020281635	0	56	-1.0	-43.27	441.83	8.30	-34.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020281635	1	56	-1.0	-43.32	441.89	8.33	-34.99
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020281636	0	53	-1.0	-41.80	422.56	8.03	-33.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020281636	1	53	-1.0	-41.79	422.62	8.04	-33.75
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020281637	0	50	-1.0	-48.38	393.74	7.71	-40.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020281637	1	50	-1.0	-48.38	393.79	7.72	-40.66
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020281638	0	57	-1.0	-43.59	443.45	6.73	-36.86
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020281638	1	57	-1.0	-43.64	443.50	6.75	-36.89
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020281639	0	54	-1.0	-49.23	416.54	6.05	-43.18
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020281639	1	54	-1.0	-49.24	416.59	6.07	-43.17
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CC)C1	REAL300020281640	0	55	-1.0	-41.85	420.90	7.77	-34.08
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CC)C1	REAL300020281640	1	55	-1.0	-41.87	420.96	7.79	-34.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CC)C1	REAL300020281641	0	52	-1.0	-43.01	402.35	7.16	-35.85
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CC)C1	REAL300020281641	1	52	-1.0	-43.04	402.40	7.19	-35.85
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020281642	0	57	-1.0	-43.22	443.83	6.82	-36.40
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020281642	1	57	-1.0	-43.25	443.89	6.84	-36.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020281643	0	51	-1.0	-42.44	429.86	6.94	-35.50
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020281643	1	51	-1.0	-42.46	429.91	6.96	-35.50
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020281644	0	56	-1.0	-44.83	446.73	4.52	-40.31
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020281644	1	56	-1.0	-44.79	446.79	4.54	-40.25
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020281645	0	53	-1.0	-45.98	426.04	3.55	-42.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020281645	1	53	-1.0	-46.01	426.09	3.57	-42.44
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(COC)C1	REAL300020281646	0	57	-1.0	-43.17	447.98	5.23	-37.94
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(COC)C1	REAL300020281646	1	57	-1.0	-43.20	448.04	5.25	-37.95
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(COC)C1	REAL300020281647	0	54	-1.0	-42.24	433.28	4.91	-37.33
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(COC)C1	REAL300020281647	1	54	-1.0	-42.23	433.33	4.94	-37.29
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020281648	0	53	-1.0	-46.18	439.82	5.79	-40.39
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020281648	1	53	-1.0	-46.20	439.87	5.81	-40.39
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020281649	0	50	-1.0	-46.70	418.25	5.02	-41.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020281649	1	50	-1.0	-46.68	418.30	5.04	-41.64
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020281650	0	53	-1.0	-54.08	417.86	3.26	-50.82
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020281650	1	53	-1.0	-54.06	417.91	3.27	-50.79
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020281651	0	50	-1.0	-53.17	397.11	2.45	-50.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020281651	1	50	-1.0	-53.17	397.17	2.47	-50.70
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020281652	0	55	-1.0	-45.56	437.50	7.22	-38.34
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020281652	1	55	-1.0	-45.56	437.56	7.23	-38.33
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020281653	0	52	-1.0	-45.49	418.95	6.61	-38.88
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020281653	1	52	-1.0	-45.53	419.00	6.63	-38.90
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(COC)CC1	REAL300020281654	0	59	-1.0	-42.45	455.41	6.92	-35.53
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(COC)CC1	REAL300020281654	1	59	-1.0	-42.43	455.47	6.93	-35.50
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(COC)CC1	REAL300020281655	0	56	-1.0	-42.89	433.89	6.37	-36.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(COC)CC1	REAL300020281655	1	56	-1.0	-42.86	433.95	6.40	-36.46
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020281656	0	57	-1.0	-41.20	453.34	7.79	-33.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020281656	1	57	-1.0	-41.16	453.40	7.81	-33.35
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020281657	0	54	-1.0	-43.09	424.78	7.12	-35.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020281657	1	54	-1.0	-43.04	424.84	7.15	-35.89
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020281658	0	52	-1.0	-43.02	435.98	8.54	-34.48
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020281658	1	52	-1.0	-42.99	436.04	8.56	-34.43
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020281659	0	53	-1.0	-41.61	425.73	6.24	-35.37
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020281659	1	53	-1.0	-41.63	425.78	6.25	-35.38
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020281660	0	50	-1.0	-45.86	395.34	5.45	-40.41
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020281660	1	50	-1.0	-45.92	396.27	5.42	-40.50
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020281661	0	55	-1.0	-53.34	439.90	7.80	-45.54
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020281661	1	55	-1.0	-53.29	439.94	7.82	-45.47
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020281662	0	56	-1.0	-41.80	435.75	6.98	-34.82
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020281662	1	56	-1.0	-41.75	435.81	7.00	-34.75
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020281663	0	53	-1.0	-42.82	414.45	6.20	-36.62
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020281663	1	53	-1.0	-42.81	414.51	6.22	-36.59
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020281664	0	55	-1.0	-40.85	449.95	9.27	-31.58
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020281664	1	55	-1.0	-40.87	450.01	9.28	-31.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020281665	0	52	-1.0	-42.16	428.17	8.51	-33.65
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020281665	1	52	-1.0	-42.15	428.23	8.53	-33.62
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC)C1	REAL300020281666	0	56	-1.0	-42.43	435.14	6.82	-35.61
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC)C1	REAL300020281666	1	56	-1.0	-42.41	435.20	6.83	-35.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC)C1	REAL300020281667	0	53	-1.0	-41.98	420.43	6.47	-35.51
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC)C1	REAL300020281667	1	53	-1.0	-41.97	420.49	6.50	-35.47
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020281668	0	48	-1.0	-43.76	401.71	6.90	-36.86
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020281668	1	48	-1.0	-43.75	401.77	6.91	-36.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020281669	0	45	-1.0	-42.80	387.49	6.02	-36.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020281669	1	45	-1.0	-42.80	387.54	6.04	-36.76
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020281670	0	51	-1.0	-46.46	429.14	6.41	-40.05
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020281670	1	51	-1.0	-46.44	429.19	6.44	-40.00
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020281671	0	48	-1.0	-43.81	407.45	5.74	-38.07
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020281671	1	48	-1.0	-43.79	407.50	5.76	-38.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020281672	0	45	-1.0	-44.29	392.12	4.87	-39.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020281672	1	45	-1.0	-44.36	392.18	4.90	-39.46
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020281673	0	58	-1.0	-43.41	433.86	8.27	-35.14
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020281673	1	58	-1.0	-43.41	433.92	8.29	-35.12
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020281674	0	55	-1.0	-43.27	418.47	7.59	-35.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020281674	1	55	-1.0	-43.28	418.52	7.61	-35.67
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020281675	0	58	-1.0	-40.91	440.04	8.78	-32.13
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020281675	1	58	-1.0	-40.97	440.10	8.79	-32.18
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020281676	0	55	-1.0	-42.35	421.70	7.87	-34.48
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020281676	1	55	-1.0	-42.33	421.76	7.90	-34.43
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020281677	0	55	-1.0	-41.94	433.96	4.73	-37.21
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020281677	1	55	-1.0	-41.93	434.02	4.76	-37.17
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020281678	0	56	-1.0	-45.89	434.46	8.76	-37.13
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020281678	1	56	-1.0	-45.92	434.51	8.78	-37.14
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020281679	0	53	-1.0	-41.68	415.82	8.16	-33.52
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020281679	1	53	-1.0	-41.65	415.88	8.18	-33.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020281680	0	50	-1.0	-42.03	403.06	7.47	-34.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020281680	1	50	-1.0	-42.06	403.12	7.50	-34.56
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020281681	0	61	-1.0	-40.80	455.65	8.84	-31.96
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020281681	1	61	-1.0	-40.80	455.71	8.86	-31.94
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020281682	0	58	-1.0	-46.09	430.24	8.08	-38.01
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020281682	1	58	-1.0	-46.02	430.30	8.10	-37.92
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020281683	0	61	-1.0	-41.07	451.39	8.55	-32.52
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020281683	1	61	-1.0	-41.04	451.45	8.57	-32.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020281684	0	58	-1.0	-41.80	433.05	8.10	-33.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020281684	1	58	-1.0	-41.76	433.11	8.12	-33.64
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)C1	REAL300020281685	0	58	-1.0	-43.26	443.28	8.72	-34.54
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)C1	REAL300020281685	1	58	-1.0	-43.20	443.34	8.73	-34.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)C1	REAL300020281686	0	55	-1.0	-47.96	424.05	8.12	-39.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)C1	REAL300020281686	1	55	-1.0	-47.93	424.10	8.15	-39.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)CC1	REAL300020281687	0	57	-1.0	-48.05	455.09	5.67	-42.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)CC1	REAL300020281687	1	57	-1.0	-48.10	455.15	5.68	-42.42
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC)C1	REAL300020281688	0	53	-1.0	-43.10	417.86	5.81	-37.29
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC)C1	REAL300020281688	1	53	-1.0	-43.12	417.92	5.83	-37.29
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)C1	REAL300020281689	0	50	-1.0	-47.18	399.87	5.21	-41.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)C1	REAL300020281689	1	50	-1.0	-47.17	399.93	5.24	-41.93
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020281690	0	58	-1.0	-41.84	434.40	8.74	-33.10
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020281690	1	58	-1.0	-41.85	434.46	8.75	-33.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020281691	0	55	-1.0	-46.41	407.48	8.06	-38.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020281691	1	55	-1.0	-46.39	407.53	8.08	-38.31
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020281692	0	53	-1.0	-40.61	426.69	8.10	-32.51
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020281692	1	53	-1.0	-40.58	426.75	8.11	-32.47
C=CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020281693	0	50	-1.0	-41.93	400.42	7.50	-34.43
C=CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020281693	1	50	-1.0	-41.98	400.48	7.52	-34.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020281694	0	56	-1.0	-50.91	451.07	5.19	-45.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020281694	1	56	-1.0	-50.86	451.13	5.21	-45.65
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020281695	0	56	-1.0	-47.25	446.29	5.40	-41.85
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020281695	1	56	-1.0	-47.23	446.35	5.43	-41.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCC)CC1	REAL300020281696	0	58	-1.0	-44.13	461.45	4.51	-39.62
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCC)CC1	REAL300020281696	1	58	-1.0	-44.18	461.51	4.54	-39.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020281696	1	59	0.0	-67.80	458.37	6.91	-60.89
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281697	0	48	-1.0	-41.75	383.57	6.51	-35.24
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281697	1	48	-1.0	-41.74	383.63	6.53	-35.21
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281698	0	45	-1.0	-41.76	369.35	5.64	-36.12
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281698	1	45	-1.0	-41.74	369.41	5.66	-36.08
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281699	0	52	-1.0	-42.52	419.06	8.40	-34.12
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281699	1	52	-1.0	-42.48	419.12	8.40	-34.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020281700	0	59	0.0	-69.38	446.86	8.35	-61.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020281700	1	59	0.0	-69.37	446.93	8.36	-61.01
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020281701	0	55	-1.0	-41.23	431.03	5.91	-35.32
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020281701	1	55	-1.0	-41.21	431.08	5.92	-35.29
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020281701	1	56	0.0	-65.09	437.81	8.32	-56.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020281702	0	52	-1.0	-41.78	413.26	5.02	-36.76
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020281702	1	52	-1.0	-41.82	413.32	5.04	-36.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020281702	1	53	0.0	-64.18	411.07	7.66	-56.52
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020281703	0	53	-1.0	-41.99	422.46	5.86	-36.13
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020281703	1	53	-1.0	-42.01	422.52	5.88	-36.13
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020281704	0	50	-1.0	-46.93	400.64	5.26	-41.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020281704	1	50	-1.0	-46.97	400.69	5.28	-41.69
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020281705	0	49	-1.0	-41.84	404.47	7.09	-34.75
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020281705	1	49	-1.0	-41.83	404.52	7.10	-34.73
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020281706	0	46	-1.0	-42.66	379.25	6.41	-36.25
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020281706	1	46	-1.0	-42.67	379.31	6.44	-36.23
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020281707	0	54	-1.0	-50.50	440.10	5.19	-45.31
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020281707	1	54	-1.0	-50.49	440.16	5.21	-45.28
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020281708	0	55	-1.0	-40.73	450.01	9.22	-31.51
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020281708	1	55	-1.0	-40.70	450.07	9.24	-31.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020281709	0	52	-1.0	-42.13	428.17	8.50	-33.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020281709	1	52	-1.0	-42.14	428.23	8.52	-33.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020281710	0	49	-1.0	-42.45	419.47	7.95	-34.50
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020281710	1	49	-1.0	-42.50	419.54	7.98	-34.52
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020281711	0	53	-1.0	-43.88	442.82	9.10	-34.78
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020281711	1	53	-1.0	-43.89	442.88	9.12	-34.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020281712	0	50	-1.0	-43.94	427.66	8.21	-35.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020281712	1	50	-1.0	-43.87	427.62	8.25	-35.62
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020281713	0	53	-1.0	-43.23	449.44	8.95	-34.28
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020281713	1	53	-1.0	-43.27	449.49	8.96	-34.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020281714	0	50	-1.0	-43.20	427.62	8.22	-34.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020281714	1	50	-1.0	-43.23	427.66	8.25	-34.98
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020281715	0	61	-1.0	-40.55	467.36	9.10	-31.45
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020281715	1	61	-1.0	-40.53	467.42	9.12	-31.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020281716	0	58	-1.0	-42.38	441.38	8.50	-33.88
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020281716	1	58	-1.0	-42.37	441.44	8.52	-33.85
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020281717	0	61	-1.0	-41.51	467.42	9.37	-32.14
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020281717	1	61	-1.0	-41.51	467.48	9.39	-32.12
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020281718	0	58	-1.0	-43.00	449.50	8.72	-34.28
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020281718	1	58	-1.0	-43.02	449.56	8.74	-34.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020281719	0	56	-1.0	-43.62	439.65	6.51	-37.11
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020281719	1	56	-1.0	-43.63	439.71	6.53	-37.10
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020281720	0	53	-1.0	-49.83	423.74	5.47	-44.36
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020281720	1	53	-1.0	-49.84	423.68	5.45	-44.39
CCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281721	0	51	-1.0	-42.05	400.11	6.31	-35.74
CCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281721	1	51	-1.0	-42.02	400.17	6.33	-35.69
CCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281722	0	48	-1.0	-43.48	378.67	5.53	-37.95
CCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281722	1	48	-1.0	-43.42	378.72	5.55	-37.87
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281723	0	55	-1.0	-43.19	428.14	8.33	-34.86
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281723	1	55	-1.0	-43.18	428.17	8.34	-34.84
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020281724	0	54	-1.0	-45.08	431.04	5.10	-39.98
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020281724	1	54	-1.0	-45.15	431.09	5.12	-40.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020281725	0	51	-1.0	-47.02	412.16	4.46	-42.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020281725	1	51	-1.0	-46.99	412.22	4.49	-42.50
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020281726	0	61	0.0	-67.40	461.98	8.87	-58.53
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020281726	1	61	0.0	-69.52	459.13	8.64	-60.88
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020281726	1	61	0.0	-67.36	462.04	8.90	-58.46
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020281726	1	61	0.0	-69.53	459.18	8.66	-60.87
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCCOC)C1	REAL300020281727	0	57	-1.0	-44.17	461.00	5.41	-38.76
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCCOC)C1	REAL300020281727	1	57	-1.0	-44.19	461.07	5.44	-38.75
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020281728	0	58	-1.0	-42.90	451.59	6.95	-35.95
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020281728	1	58	-1.0	-42.92	451.65	6.96	-35.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020281729	0	55	-1.0	-42.42	437.41	6.07	-36.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020281729	1	55	-1.0	-42.43	437.47	6.09	-36.34
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020281730	0	56	-1.0	-52.20	447.17	4.96	-47.24
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020281730	1	56	-1.0	-52.15	447.23	4.98	-47.17
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020281731	0	53	-1.0	-51.31	429.40	4.31	-47.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020281731	1	53	-1.0	-51.33	429.46	4.33	-47.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020281732	0	54	-1.0	-49.34	429.59	2.37	-46.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020281732	1	54	-1.0	-49.35	429.64	2.40	-46.95
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020281733	0	54	-1.0	-49.11	428.05	4.03	-45.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020281733	1	54	-1.0	-49.10	428.11	4.05	-45.05
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020281734	0	55	-1.0	-48.07	442.46	4.75	-43.32
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020281734	1	55	-1.0	-48.06	442.52	4.76	-43.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020281735	0	52	-1.0	-48.70	421.08	3.92	-44.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020281735	1	52	-1.0	-48.71	421.13	3.94	-44.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020281736	0	56	-1.0	-51.00	443.22	5.22	-45.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020281736	1	56	-1.0	-51.03	443.28	5.25	-45.78
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(=O)NC	REAL300020281737	0	55	-1.0	-46.32	443.19	4.86	-41.46
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(=O)NC	REAL300020281737	1	55	-1.0	-46.33	443.25	4.87	-41.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(=O)NC	REAL300020281738	0	52	-1.0	-49.58	424.90	4.02	-45.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(=O)NC	REAL300020281738	1	52	-1.0	-49.62	424.96	4.04	-45.58
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020281739	0	56	-1.0	-50.84	443.32	4.93	-45.91
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020281739	1	56	-1.0	-50.85	443.37	4.95	-45.90
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020281740	0	53	-1.0	-49.93	421.81	4.15	-45.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020281740	1	53	-1.0	-49.97	421.87	4.17	-45.80
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020281741	0	54	-1.0	-48.59	439.78	3.76	-44.83
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020281741	1	54	-1.0	-48.58	439.84	3.78	-44.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020281742	0	51	-1.0	-48.71	422.01	3.11	-45.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020281742	1	51	-1.0	-48.77	422.07	3.14	-45.63
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020281743	0	55	-1.0	-47.40	445.90	5.15	-42.25
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020281743	1	55	-1.0	-47.45	445.96	5.17	-42.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020281744	0	52	-1.0	-50.59	425.88	4.09	-46.50
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020281744	1	52	-1.0	-50.60	425.94	4.11	-46.49
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020281745	0	52	-1.0	-50.12	420.55	3.48	-46.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020281745	1	52	-1.0	-50.13	420.61	3.51	-46.62
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020281746	0	53	-1.0	-48.52	425.24	3.72	-44.80
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020281746	1	53	-1.0	-48.52	425.30	3.73	-44.79
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020281747	0	50	-1.0	-46.48	407.49	3.06	-43.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020281747	1	50	-1.0	-46.49	407.54	3.08	-43.41
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020281748	0	58	-1.0	-44.79	462.73	5.58	-39.21
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020281748	1	58	-1.0	-44.80	462.79	5.59	-39.21
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020281749	0	55	-1.0	-45.01	448.51	4.69	-40.32
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020281749	1	55	-1.0	-45.00	448.56	4.72	-40.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020281750	0	52	-1.0	-45.69	420.85	3.66	-42.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020281750	1	52	-1.0	-45.68	420.91	3.68	-42.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020281751	0	49	-1.0	-46.13	404.40	7.36	-38.77
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020281751	1	49	-1.0	-46.13	404.45	7.37	-38.76
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020281752	0	46	-1.0	-44.16	380.19	6.48	-37.68
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020281752	1	46	-1.0	-44.20	380.25	6.50	-37.70
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020281753	0	43	-1.0	-48.01	349.73	5.61	-42.40
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020281753	1	43	-1.0	-48.00	349.79	5.62	-42.38
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020281754	0	61	0.0	-71.37	464.94	7.14	-64.23
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020281754	1	61	0.0	-71.39	465.00	7.15	-64.24
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020281755	0	58	0.0	-72.99	443.31	6.57	-66.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020281755	1	58	0.0	-73.06	443.36	6.58	-66.48
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020281756	0	56	-1.0	-47.65	445.17	6.46	-41.19
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020281756	1	56	-1.0	-47.64	445.22	6.48	-41.16
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020281757	0	53	-1.0	-47.72	427.38	5.80	-41.92
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020281757	1	53	-1.0	-47.73	427.44	5.83	-41.90
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020281758	0	58	-1.0	-42.27	457.69	4.12	-38.15
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020281758	1	58	-1.0	-42.27	457.75	4.14	-38.13
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020281759	0	55	-1.0	-42.72	436.20	3.34	-39.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020281759	1	55	-1.0	-42.75	436.25	3.36	-39.39
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020281760	0	55	-1.0	-40.77	427.38	7.85	-32.92
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020281760	1	55	-1.0	-40.75	427.44	7.86	-32.89
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020281761	0	52	-1.0	-42.03	405.89	7.06	-34.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020281761	1	52	-1.0	-41.99	405.94	7.09	-34.90
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020281762	0	58	-1.0	-43.07	459.56	10.17	-32.90
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020281762	1	58	-1.0	-43.09	459.62	10.18	-32.91
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020281763	0	55	-1.0	-42.42	444.44	9.52	-32.90
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020281763	1	55	-1.0	-42.42	444.50	9.55	-32.87
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020281764	0	49	-1.0	-48.99	407.31	3.22	-45.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020281764	1	49	-1.0	-48.97	407.37	3.24	-45.73
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020281765	0	46	-1.0	-47.86	390.54	2.20	-45.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020281765	1	46	-1.0	-47.84	390.60	2.22	-45.62
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020281766	0	52	-1.0	-40.56	440.89	8.55	-32.01
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020281766	1	52	-1.0	-40.55	440.95	8.57	-31.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020281767	0	49	-1.0	-41.99	419.39	7.76	-34.23
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020281767	1	49	-1.0	-42.00	419.45	7.78	-34.22
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020281768	0	51	-1.0	-41.69	421.12	6.25	-35.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020281768	1	51	-1.0	-41.66	421.18	6.26	-35.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020281769	0	48	-1.0	-42.88	398.96	5.44	-37.44
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020281769	1	48	-1.0	-42.83	399.02	5.45	-37.38
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020281770	0	50	-1.0	-41.38	394.38	6.71	-34.67
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020281770	1	50	-1.0	-41.40	394.44	6.72	-34.68
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020281771	0	47	-1.0	-41.11	377.72	6.07	-35.04
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020281771	1	47	-1.0	-41.16	377.78	6.10	-35.06
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020281772	0	49	-1.0	-45.68	416.31	8.43	-37.25
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020281772	1	49	-1.0	-45.68	416.37	8.46	-37.22
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020281773	0	52	-1.0	-41.12	432.74	7.68	-33.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020281773	1	52	-1.0	-41.15	432.80	7.69	-33.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020281774	0	49	-1.0	-41.94	411.42	6.85	-35.09
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020281774	1	49	-1.0	-41.91	411.48	6.88	-35.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020281775	0	49	-1.0	-41.23	423.50	8.34	-32.89
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020281775	1	49	-1.0	-41.27	423.56	8.37	-32.90
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020281776	0	53	-1.0	-51.89	425.21	3.46	-48.43
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020281776	1	53	-1.0	-51.89	425.26	3.47	-48.42
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020281777	0	50	-1.0	-53.88	403.70	2.91	-50.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020281777	1	50	-1.0	-53.98	403.76	2.94	-51.04
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020281778	0	49	-1.0	-41.10	410.83	6.86	-34.24
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020281778	1	49	-1.0	-41.12	410.88	6.87	-34.25
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020281779	0	46	-1.0	-45.72	375.68	6.31	-39.41
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020281779	1	46	-1.0	-45.69	375.75	6.32	-39.37
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020281780	0	61	0.0	-66.35	468.77	8.88	-57.47
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020281780	1	61	0.0	-66.37	468.83	8.89	-57.48
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020281781	0	58	0.0	-66.79	442.74	8.21	-58.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020281781	1	58	0.0	-66.71	442.68	8.20	-58.51
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020281782	0	59	-1.0	-41.39	446.09	9.18	-32.21
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020281782	1	59	-1.0	-41.36	446.15	9.19	-32.17
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020281783	0	56	-1.0	-43.24	418.80	8.02	-35.22
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020281783	1	56	-1.0	-43.27	418.85	8.05	-35.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020281784	0	53	-1.0	-46.41	441.29	4.62	-41.79
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020281784	1	53	-1.0	-46.44	441.35	4.64	-41.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020281785	0	61	0.0	-65.19	451.28	8.38	-56.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020281785	1	61	0.0	-65.13	451.33	8.41	-56.72
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)CC1	REAL300020281786	0	55	-1.0	-41.70	427.98	8.30	-33.40
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)CC1	REAL300020281786	1	55	-1.0	-41.72	428.03	8.31	-33.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)CC1	REAL300020281787	0	52	-1.0	-46.57	406.19	7.70	-38.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)CC1	REAL300020281787	1	52	-1.0	-46.60	406.25	7.71	-38.89
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020281788	0	52	-1.0	-47.08	431.88	6.66	-40.42
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020281788	1	52	-1.0	-47.08	431.82	6.65	-40.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020281789	0	49	-1.0	-47.50	410.32	5.88	-41.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020281789	1	49	-1.0	-47.42	410.26	5.85	-41.57
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020281790	0	56	-1.0	-41.40	443.21	6.52	-34.88
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020281790	1	56	-1.0	-41.38	443.27	6.54	-34.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020281791	0	53	-1.0	-41.79	425.45	5.87	-35.92
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020281791	1	53	-1.0	-41.82	425.51	5.89	-35.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020281792	0	59	-1.0	-41.79	442.69	9.15	-32.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020281792	1	59	-1.0	-41.81	442.75	9.17	-32.64
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020281793	0	59	0.0	-66.48	449.56	8.74	-57.74
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020281793	1	58	-1.0	-41.15	452.12	6.45	-34.70
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020281793	1	58	-1.0	-41.15	452.18	6.46	-34.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020281794	0	56	0.0	-65.76	432.59	8.03	-57.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020281794	1	56	0.0	-65.74	432.65	8.05	-57.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020281794	1	55	-1.0	-41.71	434.34	5.79	-35.92
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020281794	1	55	-1.0	-41.72	434.39	5.82	-35.90
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COCC)C1	REAL300020281795	0	59	-1.0	-41.26	465.06	7.49	-33.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COCC)C1	REAL300020281795	1	59	-1.0	-41.26	465.12	7.50	-33.76
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COCC)C1	REAL300020281796	0	56	-1.0	-42.54	443.56	6.95	-35.59
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COCC)C1	REAL300020281796	1	56	-1.0	-42.50	443.62	6.97	-35.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020281797	0	50	-1.0	-50.75	426.40	1.02	-49.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020281797	1	50	-1.0	-50.77	426.46	1.05	-49.72
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020281798	0	55	-1.0	-43.65	447.05	7.35	-36.30
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020281798	1	55	-1.0	-43.64	446.99	7.33	-36.31
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020281799	0	52	-1.0	-44.30	425.25	6.56	-37.74
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020281799	1	52	-1.0	-44.26	425.20	6.54	-37.72
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020281800	0	55	-1.0	-42.24	414.94	7.86	-34.38
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020281800	1	55	-1.0	-42.23	415.00	7.87	-34.36
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020281801	0	52	-1.0	-43.72	393.34	7.07	-36.65
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020281801	1	52	-1.0	-43.74	393.40	7.10	-36.64
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020281802	0	54	-1.0	-47.74	430.35	6.42	-41.32
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020281802	1	54	-1.0	-47.75	430.41	6.44	-41.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020281803	0	51	-1.0	-50.03	408.88	5.65	-44.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020281803	1	51	-1.0	-50.05	408.93	5.67	-44.38
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020281804	0	55	-1.0	-46.03	447.73	7.54	-38.49
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020281804	1	55	-1.0	-46.05	447.78	7.56	-38.49
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020281805	0	52	-1.0	-48.90	411.55	6.30	-42.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020281805	1	52	-1.0	-48.91	411.61	6.32	-42.59
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020281806	0	56	-1.0	-43.68	445.01	6.48	-37.20
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020281806	1	56	-1.0	-43.71	445.06	6.50	-37.21
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020281807	0	53	-1.0	-43.46	417.56	5.81	-37.65
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020281807	1	53	-1.0	-43.49	417.62	5.83	-37.66
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020281808	0	59	-1.0	-40.75	458.35	7.15	-33.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020281808	1	59	-1.0	-40.77	458.41	7.16	-33.61
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020281809	0	56	-1.0	-41.65	436.11	6.67	-34.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020281809	1	56	-1.0	-41.66	436.17	6.69	-34.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020281810	0	57	-1.0	-43.12	444.77	7.16	-35.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020281810	1	57	-1.0	-43.15	444.82	7.18	-35.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020281811	0	53	-1.0	-44.32	438.07	5.81	-38.51
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020281811	1	53	-1.0	-44.32	438.12	5.84	-38.48
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020281812	0	56	-1.0	-42.01	455.66	9.64	-32.37
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020281812	1	56	-1.0	-42.06	455.72	9.67	-32.39
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020281813	0	53	-1.0	-47.93	433.29	7.95	-39.98
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020281813	1	53	-1.0	-47.97	433.35	7.96	-40.01
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020281814	0	50	-1.0	-49.49	407.03	7.34	-42.15
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020281814	1	50	-1.0	-49.55	407.10	7.37	-42.18
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CC)C1	REAL300020281815	0	58	-1.0	-41.37	443.37	9.02	-32.35
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CC)C1	REAL300020281815	1	58	-1.0	-41.39	443.43	9.03	-32.36
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CC)C1	REAL300020281816	0	55	-1.0	-42.55	417.67	8.21	-34.34
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CC)C1	REAL300020281816	1	55	-1.0	-42.52	417.73	8.24	-34.28
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020281817	0	58	-1.0	-41.95	468.57	10.12	-31.83
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020281817	1	58	-1.0	-42.02	468.63	10.14	-31.88
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020281818	0	55	-1.0	-42.78	450.55	9.46	-33.32
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020281818	1	55	-1.0	-42.73	450.61	9.49	-33.24
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020281819	0	55	-1.0	-42.85	447.76	7.59	-35.26
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020281819	1	55	-1.0	-42.84	447.81	7.60	-35.24
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020281820	0	52	-1.0	-47.78	421.67	7.06	-40.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020281820	1	52	-1.0	-47.80	421.72	7.07	-40.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020281821	0	59	-1.0	-40.74	453.32	9.79	-30.95
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020281821	1	59	-1.0	-40.78	453.38	9.80	-30.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020281822	0	56	-1.0	-43.93	426.24	8.92	-35.01
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020281822	1	56	-1.0	-43.99	426.30	8.94	-35.05
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020281823	0	50	-1.0	-44.00	409.29	4.94	-39.06
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020281823	1	50	-1.0	-44.03	409.35	4.95	-39.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020281824	0	47	-1.0	-46.92	383.69	4.37	-42.55
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020281824	1	47	-1.0	-46.89	383.74	4.38	-42.51
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC)C1	REAL300020281825	0	56	-1.0	-43.31	443.78	6.79	-36.52
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC)C1	REAL300020281825	1	56	-1.0	-43.28	443.84	6.80	-36.48
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC)C1	REAL300020281826	0	53	-1.0	-44.10	426.05	6.12	-37.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC)C1	REAL300020281826	1	53	-1.0	-44.14	426.11	6.14	-38.00
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020281827	0	59	0.0	-67.22	461.34	8.99	-58.23
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020281827	1	59	0.0	-67.23	461.40	9.00	-58.23
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020281828	0	56	0.0	-64.12	439.83	8.20	-55.92
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020281828	1	56	0.0	-64.11	439.88	8.23	-55.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020281829	0	54	-1.0	-41.79	435.09	7.28	-34.51
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020281829	1	54	-1.0	-41.77	435.15	7.30	-34.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020281830	0	51	-1.0	-41.35	418.25	6.35	-35.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020281830	1	51	-1.0	-41.38	418.31	6.37	-35.01
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020281831	0	51	-1.0	-43.75	435.55	6.56	-37.19
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020281831	1	51	-1.0	-43.77	435.61	6.58	-37.19
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020281832	0	48	-1.0	-44.47	414.05	5.78	-38.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020281832	1	48	-1.0	-44.44	414.11	5.80	-38.64
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020281833	0	50	-1.0	-49.71	412.40	8.55	-41.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020281833	1	50	-1.0	-49.72	412.46	8.57	-41.15
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020281834	0	57	-1.0	-42.27	438.35	6.60	-35.67
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020281834	1	57	-1.0	-42.24	438.41	6.62	-35.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020281835	0	54	-1.0	-42.64	420.18	5.95	-36.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020281835	1	54	-1.0	-42.59	420.24	5.97	-36.62
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(C)C)C1	REAL300020281836	0	56	-1.0	-40.23	447.29	8.64	-31.59
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020281836	1	56	-1.0	-40.21	447.35	8.66	-31.55
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(C)C)C1	REAL300020281837	0	53	-1.0	-40.19	426.27	7.66	-32.53
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020281837	1	53	-1.0	-40.25	426.33	7.69	-32.56
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020281838	0	54	-1.0	-49.08	438.01	3.52	-45.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020281838	1	54	-1.0	-49.08	438.07	3.55	-45.53
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020281839	0	52	-1.0	-45.01	424.20	6.76	-38.25
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020281839	1	52	-1.0	-45.05	424.26	6.77	-38.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020281840	0	49	-1.0	-48.30	397.40	6.07	-42.23
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020281840	1	49	-1.0	-48.34	397.44	6.10	-42.24
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020281841	0	57	-1.0	-42.51	436.01	7.48	-35.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020281841	1	57	-1.0	-42.53	436.07	7.51	-35.02
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020281842	0	50	-1.0	-42.33	396.36	5.19	-37.14
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020281842	1	50	-1.0	-42.33	396.42	5.21	-37.12
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020281843	0	47	-1.0	-42.30	383.66	4.49	-37.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020281843	1	47	-1.0	-42.32	383.72	4.52	-37.80
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020281844	0	54	-1.0	-43.17	417.45	6.72	-36.45
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020281844	1	54	-1.0	-43.14	417.46	6.71	-36.43
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020281845	0	51	-1.0	-41.92	429.26	6.65	-35.27
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020281845	1	51	-1.0	-41.90	429.32	6.66	-35.24
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020281846	0	48	-1.0	-41.99	413.98	5.78	-36.21
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020281846	1	48	-1.0	-42.03	414.04	5.80	-36.23
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020281847	0	49	-1.0	-40.77	400.58	7.22	-33.55
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020281847	1	49	-1.0	-40.82	400.64	7.24	-33.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020281848	0	46	-1.0	-43.37	373.31	6.54	-36.83
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020281848	1	46	-1.0	-43.34	373.37	6.57	-36.77
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020281849	0	53	-1.0	-43.61	417.69	9.20	-34.41
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020281849	1	53	-1.0	-43.56	417.73	9.20	-34.36
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020281850	0	52	-1.0	-43.80	429.58	8.79	-35.01
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020281850	1	52	-1.0	-43.83	429.64	8.81	-35.02
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020281851	0	49	-1.0	-47.08	407.57	7.98	-39.10
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020281851	1	49	-1.0	-47.07	407.62	8.01	-39.06
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(C)C	REAL300020281852	0	54	-1.0	-41.66	422.64	7.80	-33.86
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(C)C	REAL300020281852	1	54	-1.0	-41.64	422.70	7.81	-33.83
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(C)C	REAL300020281853	0	51	-1.0	-41.60	408.43	6.92	-34.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(C)C	REAL300020281853	1	51	-1.0	-41.59	408.47	6.95	-34.64
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(C)C	REAL300020281854	0	58	-1.0	-42.32	458.13	9.69	-32.63
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(C)C	REAL300020281854	1	58	-1.0	-42.31	458.18	9.69	-32.62
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020281855	0	52	-1.0	-45.37	412.68	6.59	-38.78
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020281855	1	52	-1.0	-45.38	412.73	6.61	-38.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020281856	0	49	-1.0	-45.01	399.57	6.15	-38.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020281856	1	49	-1.0	-44.94	399.62	6.18	-38.76
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020281857	0	54	-1.0	-45.30	437.39	5.53	-39.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020281857	1	54	-1.0	-45.29	437.45	5.55	-39.74
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020281858	0	51	-1.0	-45.52	419.55	4.86	-40.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020281858	1	51	-1.0	-45.51	419.61	4.88	-40.63
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020281859	0	54	-1.0	-41.72	414.77	7.88	-33.84
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020281859	1	54	-1.0	-41.79	414.83	7.89	-33.90
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020281860	0	51	-1.0	-41.63	402.05	7.14	-34.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020281860	1	51	-1.0	-41.69	402.11	7.17	-34.52
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020281861	0	58	-1.0	-43.59	444.76	9.15	-34.44
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020281861	1	58	-1.0	-43.63	444.73	9.14	-34.49
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCOC)C1	REAL300020281862	0	57	-1.0	-46.37	455.93	5.50	-40.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCOC)C1	REAL300020281862	1	57	-1.0	-46.42	455.98	5.53	-40.89
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020281863	0	49	-1.0	-40.77	400.58	7.22	-33.55
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020281863	1	49	-1.0	-40.82	400.64	7.24	-33.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020281864	0	46	-1.0	-43.37	373.31	6.54	-36.83
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020281864	1	46	-1.0	-43.34	373.37	6.57	-36.77
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020281865	0	53	-1.0	-43.61	417.69	9.20	-34.41
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020281865	1	53	-1.0	-43.56	417.73	9.20	-34.36
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020281866	0	52	-1.0	-41.00	422.52	7.98	-33.02
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020281866	1	52	-1.0	-41.01	422.58	8.00	-33.01
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020281867	0	49	-1.0	-41.61	401.11	7.19	-34.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020281867	1	49	-1.0	-41.63	401.17	7.21	-34.42
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020281868	0	56	-1.0	-43.45	439.94	10.01	-33.44
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020281868	1	56	-1.0	-43.46	439.97	10.00	-33.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020281869	0	57	-1.0	-46.43	453.67	5.56	-40.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020281869	1	57	-1.0	-46.41	453.72	5.58	-40.83
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC	REAL300020281870	0	52	-1.0	-42.09	417.25	5.60	-36.49
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC	REAL300020281870	1	52	-1.0	-42.03	417.31	5.61	-36.42
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC	REAL300020281871	0	49	-1.0	-42.02	403.03	4.71	-37.31
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC	REAL300020281871	1	49	-1.0	-42.00	403.08	4.73	-37.27
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020281872	0	56	-1.0	-53.59	439.40	6.55	-47.04
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020281872	1	56	-1.0	-53.61	439.46	6.56	-47.05
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020281873	0	53	-1.0	-40.72	429.98	8.26	-32.46
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020281873	1	53	-1.0	-40.74	430.04	8.28	-32.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020281874	0	50	-1.0	-40.38	413.21	7.25	-33.13
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020281874	1	50	-1.0	-40.39	413.27	7.27	-33.12
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020281875	0	50	-1.0	-43.08	418.77	5.21	-37.87
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020281875	1	50	-1.0	-43.05	418.83	5.23	-37.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020281876	0	47	-1.0	-43.46	397.28	4.43	-39.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020281876	1	47	-1.0	-43.45	397.33	4.45	-39.00
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020281877	0	59	0.0	-65.22	449.54	8.34	-56.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020281877	1	59	0.0	-64.46	453.28	8.47	-55.99
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020281877	1	59	0.0	-65.22	449.60	8.35	-56.87
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020281877	1	59	0.0	-64.52	453.34	8.48	-56.04
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020281877	1	58	-1.0	-42.03	446.09	6.29	-35.74
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020281878	0	56	0.0	-70.19	410.80	7.37	-62.82
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020281878	1	56	0.0	-61.75	431.85	7.71	-54.04
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020281878	1	56	0.0	-70.16	410.74	7.36	-62.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020281878	1	56	0.0	-61.72	431.79	7.68	-54.04
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020281878	1	55	-1.0	-45.75	407.98	5.12	-40.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2CCCCC2C1	REAL300020281878	1	55	-1.0	-45.80	408.04	5.13	-40.67
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C	REAL300020281879	0	51	-1.0	-41.79	402.54	7.48	-34.31
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C	REAL300020281879	1	51	-1.0	-41.79	402.60	7.50	-34.29
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C	REAL300020281880	0	48	-1.0	-41.57	389.43	6.70	-34.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C	REAL300020281880	1	48	-1.0	-41.55	389.49	6.72	-34.83
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C	REAL300020281881	0	55	-1.0	-42.33	438.82	9.30	-33.03
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C	REAL300020281881	1	55	-1.0	-42.30	438.88	9.29	-33.01
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020281882	0	52	-1.0	-46.34	422.75	8.27	-38.07
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020281882	1	52	-1.0	-46.29	422.70	8.24	-38.05
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281883	0	48	-1.0	-41.75	383.57	6.51	-35.24
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281883	1	48	-1.0	-41.74	383.63	6.53	-35.21
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281884	0	45	-1.0	-41.76	369.35	5.64	-36.12
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281884	1	45	-1.0	-41.74	369.41	5.66	-36.08
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281885	0	52	-1.0	-42.52	419.06	8.40	-34.12
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281885	1	52	-1.0	-42.48	419.12	8.40	-34.08
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020281886	0	55	-1.0	-40.91	434.33	8.38	-32.53
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020281886	1	55	-1.0	-40.88	434.38	8.39	-32.49
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020281887	0	52	-1.0	-42.29	412.97	7.58	-34.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020281887	1	52	-1.0	-42.31	413.03	7.60	-34.71
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020281888	0	53	-1.0	-42.14	433.40	5.56	-36.58
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020281888	1	53	-1.0	-42.22	433.45	5.57	-36.65
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020281889	0	50	-1.0	-43.00	411.89	4.77	-38.23
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020281889	1	50	-1.0	-43.03	411.95	4.80	-38.23
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020281890	0	49	-1.0	-41.55	408.09	7.88	-33.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020281890	1	49	-1.0	-41.55	408.15	7.90	-33.65
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC)C1	REAL300020281891	0	53	-1.0	-41.92	422.24	5.98	-35.94
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC)C1	REAL300020281891	1	53	-1.0	-41.96	422.30	5.99	-35.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC)C1	REAL300020281892	0	50	-1.0	-42.06	404.45	5.33	-36.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC)C1	REAL300020281892	1	50	-1.0	-42.05	404.51	5.35	-36.70
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020281893	0	54	-1.0	-43.82	442.54	7.57	-36.25
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020281893	1	54	-1.0	-43.81	442.60	7.59	-36.22
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020281894	0	58	-1.0	-40.73	452.10	9.22	-31.51
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020281894	1	58	-1.0	-40.73	452.16	9.23	-31.50
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020281895	0	55	-1.0	-42.02	430.57	8.47	-33.55
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020281895	1	55	-1.0	-41.98	430.63	8.49	-33.49
C#CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281896	0	44	-1.0	-42.10	364.46	6.11	-35.99
C#CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281896	1	44	-1.0	-42.10	364.51	6.13	-35.97
C#CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281897	0	41	-1.0	-41.42	355.18	5.41	-36.01
C#CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281897	1	41	-1.0	-41.40	355.13	5.38	-36.02
C#CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281898	0	48	-1.0	-42.38	404.98	8.18	-34.20
C#CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281898	1	48	-1.0	-42.31	405.04	8.17	-34.14
C=CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281899	0	46	-1.0	-41.69	375.42	6.32	-35.37
C=CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281899	1	46	-1.0	-41.73	375.48	6.33	-35.40
C=CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281900	0	43	-1.0	-41.60	361.15	5.46	-36.14
C=CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281900	1	43	-1.0	-41.58	361.09	5.44	-36.14
C=CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281901	0	50	-1.0	-42.37	410.83	8.21	-34.16
C=CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281901	1	50	-1.0	-42.35	410.89	8.20	-34.15
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020281902	0	57	-1.0	-45.07	451.51	7.83	-37.24
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020281902	1	57	-1.0	-45.13	451.56	7.85	-37.28
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020281903	0	53	-1.0	-41.98	413.44	7.87	-34.11
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020281903	1	53	-1.0	-42.00	413.50	7.88	-34.12
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020281904	0	50	-1.0	-47.97	386.54	7.19	-40.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020281904	1	50	-1.0	-47.95	386.60	7.22	-40.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020281905	0	58	-1.0	-41.23	445.55	8.56	-32.67
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020281905	1	58	-1.0	-41.23	445.60	8.58	-32.65
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020281906	0	55	-1.0	-45.92	423.61	7.96	-37.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020281906	1	55	-1.0	-45.90	423.67	7.97	-37.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020281907	0	56	-1.0	-49.67	449.31	6.18	-43.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020281907	1	56	-1.0	-49.65	449.37	6.20	-43.45
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)C1	REAL300020281908	0	57	-1.0	-45.03	447.54	5.23	-39.80
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)C1	REAL300020281908	1	57	-1.0	-45.02	447.59	5.24	-39.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)C1	REAL300020281909	0	54	-1.0	-45.08	434.43	4.79	-40.29
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)C1	REAL300020281909	1	54	-1.0	-45.08	434.49	4.81	-40.27
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020281910	0	49	-1.0	-42.20	408.96	7.07	-35.13
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020281910	1	49	-1.0	-42.20	409.02	7.09	-35.11
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020281911	0	54	-1.0	-53.34	421.42	6.47	-46.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020281911	1	54	-1.0	-53.36	421.47	6.49	-46.87
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020281912	0	49	-1.0	-42.63	395.68	6.84	-35.79
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020281912	1	49	-1.0	-42.68	395.74	6.85	-35.83
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020281913	0	46	-1.0	-47.21	372.70	6.19	-41.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020281913	1	46	-1.0	-47.20	372.75	6.22	-40.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020281914	0	54	-1.0	-43.42	434.85	4.44	-38.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020281914	1	54	-1.0	-43.43	434.91	4.47	-38.96
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020281915	0	59	-1.0	-41.49	442.67	8.88	-32.61
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020281915	1	59	-1.0	-41.52	442.72	8.90	-32.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020281916	0	56	-1.0	-42.50	429.25	8.39	-34.11
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020281916	1	56	-1.0	-42.49	429.31	8.42	-34.07
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)C1	REAL300020281917	0	56	-1.0	-41.57	438.46	6.42	-35.15
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)C1	REAL300020281917	1	56	-1.0	-41.56	438.52	6.43	-35.13
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)C1	REAL300020281918	0	53	-1.0	-42.85	416.96	5.63	-37.22
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)C1	REAL300020281918	1	53	-1.0	-42.81	417.02	5.66	-37.15
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020281919	0	57	-1.0	-47.86	442.05	6.84	-41.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020281919	1	57	-1.0	-47.85	442.11	6.86	-40.99
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020281920	0	53	-1.0	-47.25	425.56	5.47	-41.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020281920	1	53	-1.0	-47.26	425.62	5.50	-41.76
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020281921	0	57	-1.0	-45.46	419.46	6.25	-39.21
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020281921	1	57	-1.0	-45.48	419.52	6.28	-39.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020281922	0	59	-1.0	-41.64	454.68	6.97	-34.67
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020281922	1	59	-1.0	-41.63	454.74	6.98	-34.65
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020281923	0	56	-1.0	-46.24	432.83	6.36	-39.88
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020281923	1	56	-1.0	-46.28	432.89	6.38	-39.90
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020281924	0	61	-1.0	-41.42	461.34	9.12	-32.30
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020281924	1	61	-1.0	-41.43	461.40	9.13	-32.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020281925	0	58	-1.0	-42.98	440.12	8.13	-34.85
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020281925	1	58	-1.0	-43.02	440.18	8.15	-34.87
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020281926	0	56	-1.0	-44.79	440.10	9.56	-35.23
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020281926	1	56	-1.0	-44.77	440.15	9.57	-35.20
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020281927	0	53	-1.0	-49.18	422.09	8.97	-40.21
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020281927	1	53	-1.0	-49.15	422.15	8.99	-40.16
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020281928	0	50	-1.0	-48.72	394.89	2.62	-46.10
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020281928	1	50	-1.0	-48.70	394.95	2.63	-46.07
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020281929	0	47	-1.0	-53.06	378.74	1.95	-51.11
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020281929	1	47	-1.0	-53.09	378.80	1.98	-51.11
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1	REAL300020281930	0	46	-1.0	-42.13	364.90	6.13	-36.00
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1	REAL300020281930	1	46	-1.0	-42.14	364.96	6.15	-35.99
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1	REAL300020281931	0	43	-1.0	-46.52	337.92	5.45	-41.07
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1	REAL300020281931	1	43	-1.0	-46.52	337.98	5.47	-41.05
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1	REAL300020281932	0	50	-1.0	-43.72	392.57	8.09	-35.63
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1	REAL300020281932	1	50	-1.0	-43.69	392.60	8.09	-35.60
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)C1	REAL300020281933	0	52	-1.0	-41.59	410.18	7.42	-34.17
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)C1	REAL300020281933	1	52	-1.0	-41.58	410.24	7.44	-34.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)C1	REAL300020281934	0	49	-1.0	-42.15	392.38	6.77	-35.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)C1	REAL300020281934	1	49	-1.0	-42.15	392.44	6.79	-35.36
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020281935	0	56	-1.0	-42.58	440.31	9.73	-32.85
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020281935	1	56	-1.0	-42.62	440.31	9.72	-32.90
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC1	REAL300020281936	0	47	-1.0	-41.71	383.99	4.53	-37.18
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC1	REAL300020281936	1	47	-1.0	-41.76	384.04	4.55	-37.21
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC1	REAL300020281937	0	44	-1.0	-42.47	362.50	3.75	-38.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC1	REAL300020281937	1	44	-1.0	-42.48	362.55	3.77	-38.71
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1	REAL300020281938	0	51	-1.0	-43.25	412.31	6.54	-36.71
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1	REAL300020281938	1	51	-1.0	-43.28	412.35	6.53	-36.75
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020281939	0	53	-1.0	-46.85	424.89	5.71	-41.14
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020281939	1	53	-1.0	-46.85	424.95	5.72	-41.13
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020281940	0	50	-1.0	-48.03	407.11	5.04	-42.99
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020281940	1	50	-1.0	-48.04	407.16	5.07	-42.97
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020281941	0	55	-1.0	-41.29	426.50	8.28	-33.01
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020281941	1	55	-1.0	-41.29	426.56	8.30	-32.99
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020281942	0	52	-1.0	-46.14	404.70	7.68	-38.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020281942	1	52	-1.0	-46.15	404.75	7.69	-38.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020281943	0	55	-1.0	-43.29	443.35	7.91	-35.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020281943	1	55	-1.0	-43.28	443.41	7.94	-35.34
CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020281944	0	51	-1.0	-41.62	405.07	7.30	-34.32
CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020281944	1	51	-1.0	-41.66	405.13	7.31	-34.35
CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020281945	0	48	-1.0	-41.65	390.85	6.42	-35.23
CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020281945	1	48	-1.0	-41.65	390.91	6.44	-35.21
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020281946	0	55	-1.0	-42.32	440.56	9.18	-33.14
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020281946	1	55	-1.0	-42.27	440.61	9.18	-33.09
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020281947	0	54	-1.0	-45.18	441.42	5.78	-39.40
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020281947	1	54	-1.0	-45.25	441.47	5.81	-39.44
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020281948	0	53	-1.0	-46.17	425.33	3.73	-42.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020281948	1	53	-1.0	-46.22	425.39	3.75	-42.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020281949	0	50	-1.0	-53.25	402.85	3.09	-50.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020281949	1	50	-1.0	-53.20	402.91	3.10	-50.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020281950	0	55	-1.0	-46.36	448.15	7.70	-38.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020281950	1	55	-1.0	-46.32	448.21	7.72	-38.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020281951	0	53	-1.0	-46.02	433.88	6.74	-39.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020281951	1	53	-1.0	-46.07	433.83	6.71	-39.36
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)CC1	REAL300020281952	0	52	-1.0	-41.73	409.60	7.63	-34.10
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)CC1	REAL300020281952	1	52	-1.0	-41.75	409.65	7.65	-34.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)CC1	REAL300020281953	0	49	-1.0	-46.72	387.80	7.03	-39.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)CC1	REAL300020281953	1	49	-1.0	-46.71	387.86	7.05	-39.66
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020281954	0	56	-1.0	-42.90	434.58	9.62	-33.28
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020281954	1	56	-1.0	-42.88	434.59	9.61	-33.27
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020281955	0	54	-1.0	-43.95	437.11	6.70	-37.25
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020281955	1	54	-1.0	-43.95	437.18	6.72	-37.23
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020281956	0	53	-1.0	-46.28	435.93	5.87	-40.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020281956	1	53	-1.0	-46.25	435.99	5.88	-40.37
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020281957	0	50	-1.0	-46.03	417.50	5.43	-40.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020281957	1	50	-1.0	-46.00	417.56	5.46	-40.54
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020281958	0	59	0.0	-68.00	439.47	8.47	-59.53
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020281958	1	59	0.0	-68.03	439.53	8.50	-59.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020281959	0	46	-1.0	-39.97	414.55	7.59	-32.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020281959	1	46	-1.0	-39.96	414.61	7.61	-32.35
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020281960	0	52	-1.0	-43.85	428.45	8.47	-35.38
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020281960	1	52	-1.0	-43.93	428.51	8.48	-35.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020281961	0	49	-1.0	-42.71	419.49	7.76	-34.95
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020281961	1	49	-1.0	-42.73	419.55	7.78	-34.95
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020281962	0	52	-1.0	-57.95	431.04	3.49	-54.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020281962	1	52	-1.0	-57.96	431.10	3.51	-54.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020281963	0	53	-1.0	-45.66	439.39	7.89	-37.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020281963	1	53	-1.0	-45.66	439.33	7.87	-37.79
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020281964	0	52	-1.0	-43.93	435.04	8.39	-35.54
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020281964	1	52	-1.0	-43.99	435.10	8.42	-35.57
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020281965	0	61	0.0	-67.31	463.64	8.77	-58.54
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020281965	1	61	0.0	-67.33	463.70	8.79	-58.54
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020281966	0	49	-1.0	-41.71	413.08	8.05	-33.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020281966	1	49	-1.0	-41.71	413.13	8.07	-33.64
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020281967	0	58	-1.0	-41.57	450.04	8.83	-32.74
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020281967	1	58	-1.0	-41.61	450.10	8.84	-32.77
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020281968	0	55	-1.0	-43.08	428.53	8.28	-34.80
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020281968	1	55	-1.0	-43.10	428.58	8.31	-34.79
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020281969	0	57	-1.0	-46.31	453.11	7.98	-38.33
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020281969	1	57	-1.0	-46.30	453.17	7.99	-38.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020281970	0	49	-1.0	-45.00	412.11	6.48	-38.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020281970	1	49	-1.0	-44.97	412.17	6.51	-38.46
CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020281971	0	56	-1.0	-45.78	446.09	5.36	-40.42
CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020281971	1	56	-1.0	-45.80	446.15	5.38	-40.42
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020281972	0	56	-1.0	-47.89	452.70	5.29	-42.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020281972	1	56	-1.0	-47.91	452.76	5.31	-42.60
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020281973	0	53	-1.0	-49.68	426.74	4.68	-45.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020281973	1	53	-1.0	-49.71	426.80	4.70	-45.01
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020281974	0	49	-1.0	-41.35	412.70	7.84	-33.51
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020281974	1	49	-1.0	-41.39	412.76	7.86	-33.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020281975	0	46	-1.0	-43.33	390.95	7.05	-36.28
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020281975	1	46	-1.0	-43.33	391.01	7.07	-36.26
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020281976	0	56	-1.0	-47.53	445.17	6.28	-41.25
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020281976	1	56	-1.0	-47.50	445.23	6.30	-41.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC)C1	REAL300020281977	0	53	-1.0	-43.23	421.94	5.82	-37.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC)C1	REAL300020281977	1	53	-1.0	-43.21	422.00	5.84	-37.37
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC)C1	REAL300020281978	0	50	-1.0	-48.51	400.11	5.22	-43.29
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC)C1	REAL300020281978	1	50	-1.0	-48.54	400.17	5.23	-43.31
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC)CC1	REAL300020281979	0	56	-1.0	-42.87	443.26	6.53	-36.34
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC)CC1	REAL300020281979	1	56	-1.0	-42.88	443.32	6.55	-36.33
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)CC1	REAL300020281980	0	53	-1.0	-47.85	421.32	5.93	-41.92
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)CC1	REAL300020281980	1	53	-1.0	-47.91	421.38	5.95	-41.96
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020281981	0	48	-1.0	-47.44	398.87	3.91	-43.53
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020281981	1	48	-1.0	-47.46	398.92	3.92	-43.54
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020281982	0	45	-1.0	-46.68	380.56	3.45	-43.23
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020281982	1	45	-1.0	-46.69	380.61	3.47	-43.22
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020281983	0	50	-1.0	-40.70	405.68	7.43	-33.27
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020281983	1	50	-1.0	-40.70	405.73	7.44	-33.26
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020281984	0	47	-1.0	-41.81	384.17	6.64	-35.17
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020281984	1	47	-1.0	-41.76	384.23	6.67	-35.09
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCCOCC)CC1	REAL300020281985	0	54	-1.0	-42.11	434.08	9.43	-32.68
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCCOCC)CC1	REAL300020281985	1	54	-1.0	-42.13	434.12	9.42	-32.71
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020281986	0	56	-1.0	-42.49	431.77	6.78	-35.71
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020281986	1	56	-1.0	-42.52	431.82	6.79	-35.73
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020281987	0	53	-1.0	-43.25	415.84	6.17	-37.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020281987	1	53	-1.0	-43.25	415.90	6.19	-37.06
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020281988	0	48	-1.0	-46.41	395.84	4.93	-41.48
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020281988	1	48	-1.0	-46.42	395.89	4.95	-41.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020281989	0	45	-1.0	-45.95	379.84	4.31	-41.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020281989	1	45	-1.0	-45.95	379.90	4.33	-41.62
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020281990	0	52	-1.0	-43.88	425.51	6.48	-37.40
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020281990	1	52	-1.0	-43.92	425.45	6.47	-37.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020281991	0	49	-1.0	-44.49	403.77	5.70	-38.79
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020281991	1	49	-1.0	-44.48	403.71	5.67	-38.81
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020281992	0	54	-1.0	-42.47	426.81	6.54	-35.93
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020281992	1	54	-1.0	-42.45	426.87	6.55	-35.90
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020281993	0	51	-1.0	-42.40	413.71	6.10	-36.30
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020281993	1	51	-1.0	-42.41	413.76	6.12	-36.29
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020281994	0	52	-1.0	-40.85	413.99	7.21	-33.64
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020281994	1	52	-1.0	-40.82	414.05	7.23	-33.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020281995	0	49	-1.0	-42.96	387.16	6.52	-36.44
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020281995	1	49	-1.0	-42.96	387.21	6.54	-36.42
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020281996	0	56	-1.0	-43.47	432.40	9.04	-34.43
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020281996	1	56	-1.0	-43.40	432.43	9.05	-34.35
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020281997	0	58	-1.0	-41.26	448.34	8.85	-32.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020281997	1	58	-1.0	-41.24	448.40	8.87	-32.37
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020281998	0	55	-1.0	-43.28	423.92	7.98	-35.30
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020281998	1	55	-1.0	-43.23	423.97	8.01	-35.22
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)C1	REAL300020281999	0	56	-1.0	-43.55	444.24	6.56	-36.99
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)C1	REAL300020281999	1	56	-1.0	-43.56	444.30	6.57	-36.99
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)C1	REAL300020282000	0	53	-1.0	-44.04	425.89	5.89	-38.15
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)C1	REAL300020282000	1	53	-1.0	-44.04	425.95	5.91	-38.13
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020282001	0	56	-1.0	-42.13	433.52	8.69	-33.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020282001	1	56	-1.0	-42.09	433.58	8.70	-33.39
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020282002	0	53	-1.0	-42.23	415.68	8.03	-34.20
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020282002	1	53	-1.0	-42.22	415.74	8.06	-34.16
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020282003	0	57	-1.0	-43.63	430.13	6.87	-36.76
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020282003	1	57	-1.0	-43.64	430.19	6.88	-36.76
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020282004	0	54	-1.0	-43.94	412.06	6.20	-37.74
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020282004	1	54	-1.0	-43.94	412.12	6.23	-37.71
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC)C1	REAL300020282005	0	50	-1.0	-42.45	397.77	5.15	-37.30
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC)C1	REAL300020282005	1	50	-1.0	-42.41	397.82	5.16	-37.25
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC)C1	REAL300020282006	0	47	-1.0	-42.40	379.01	4.56	-37.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC)C1	REAL300020282006	1	47	-1.0	-42.42	379.07	4.58	-37.84
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OC)C1	REAL300020282007	0	54	-1.0	-44.27	428.95	7.29	-36.98
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OC)C1	REAL300020282007	1	54	-1.0	-44.29	428.98	7.29	-37.00
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020282008	0	55	-1.0	-40.96	424.31	7.78	-33.18
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020282008	1	55	-1.0	-40.97	424.37	7.80	-33.17
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020282009	0	52	-1.0	-43.57	386.37	6.45	-37.12
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020282009	1	52	-1.0	-43.57	386.43	6.47	-37.10
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)C1	REAL300020282010	0	50	-1.0	-45.33	396.85	5.10	-40.23
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)C1	REAL300020282010	1	50	-1.0	-45.31	396.91	5.11	-40.20
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)C1	REAL300020282011	0	47	-1.0	-45.64	380.76	4.50	-41.14
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)C1	REAL300020282011	1	47	-1.0	-45.59	380.82	4.51	-41.08
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC)C1	REAL300020282012	0	54	-1.0	-45.77	429.98	7.20	-38.57
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC)C1	REAL300020282012	1	54	-1.0	-45.66	429.97	7.19	-38.47
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020282013	0	55	-1.0	-41.40	428.56	8.06	-33.34
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020282013	1	55	-1.0	-41.38	428.62	8.08	-33.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020282014	0	52	-1.0	-42.00	410.77	7.41	-34.59
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020282014	1	52	-1.0	-41.98	410.83	7.44	-34.54
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020282015	0	58	-1.0	-40.70	450.43	8.89	-31.81
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020282015	1	58	-1.0	-40.74	450.49	8.91	-31.83
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020282016	0	55	-1.0	-46.11	424.77	8.17	-37.94
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020282016	1	55	-1.0	-46.08	424.83	8.19	-37.89
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282017	0	58	-1.0	-41.82	460.88	9.42	-32.40
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282017	1	58	-1.0	-41.81	460.93	9.43	-32.38
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282018	0	55	-1.0	-41.70	446.66	8.54	-33.16
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282018	1	55	-1.0	-41.72	446.72	8.57	-33.15
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(CC)C1	REAL300020282019	0	53	-1.0	-40.77	429.53	8.27	-32.50
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(CC)C1	REAL300020282019	1	53	-1.0	-40.73	429.58	8.29	-32.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(CC)C1	REAL300020282020	0	50	-1.0	-40.39	411.47	7.46	-32.93
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(CC)C1	REAL300020282020	1	50	-1.0	-40.42	411.53	7.49	-32.93
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1	REAL300020282021	0	52	-1.0	-43.19	403.89	7.39	-35.80
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1	REAL300020282021	1	52	-1.0	-43.20	403.95	7.40	-35.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1	REAL300020282022	0	49	-1.0	-43.08	381.99	6.45	-36.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1	REAL300020282022	1	49	-1.0	-43.10	382.05	6.47	-36.63
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020282023	0	56	-1.0	-43.51	431.83	9.20	-34.31
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020282023	1	56	-1.0	-43.47	431.86	9.19	-34.28
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020282024	0	53	-1.0	-39.92	430.91	8.29	-31.63
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020282024	1	53	-1.0	-39.88	430.96	8.30	-31.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020282025	0	50	-1.0	-40.54	408.96	7.70	-32.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020282025	1	50	-1.0	-40.53	409.02	7.73	-32.80
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020282026	0	57	-1.0	-41.46	437.58	6.98	-34.48
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020282026	1	57	-1.0	-41.46	437.63	7.00	-34.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020282027	0	54	-1.0	-46.54	420.08	6.53	-40.01
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020282027	1	54	-1.0	-46.52	420.14	6.55	-39.97
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)CCO1	REAL300020282028	0	56	-1.0	-42.20	443.08	6.97	-35.23
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CCO1	REAL300020282028	1	56	-1.0	-42.22	443.14	6.99	-35.23
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CCO1	REAL300020282029	0	53	-1.0	-42.34	422.79	6.21	-36.13
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CCO1	REAL300020282029	1	53	-1.0	-42.36	422.85	6.24	-36.12
CCCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282030	0	61	-1.0	-40.96	464.85	9.78	-31.18
CCCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282030	1	61	-1.0	-40.92	464.91	9.80	-31.12
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282031	0	58	-1.0	-43.31	440.32	8.90	-34.41
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282031	1	58	-1.0	-43.34	440.38	8.92	-34.42
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(=O)NC	REAL300020282032	0	52	-1.0	-51.90	421.69	4.04	-47.86
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(=O)NC	REAL300020282032	1	52	-1.0	-51.89	421.75	4.06	-47.83
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(=O)NC	REAL300020282033	0	49	-1.0	-50.85	407.47	3.17	-47.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(=O)NC	REAL300020282033	1	49	-1.0	-50.84	407.52	3.19	-47.65
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020282034	0	49	-1.0	-40.93	412.28	7.71	-33.22
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020282034	1	49	-1.0	-40.98	412.33	7.72	-33.26
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020282035	0	46	-1.0	-42.62	390.52	6.91	-35.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020282035	1	46	-1.0	-42.62	390.58	6.94	-35.68
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020282036	0	51	-1.0	-46.61	426.68	2.61	-44.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020282036	1	51	-1.0	-46.62	426.73	2.64	-43.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020282037	0	53	-1.0	-44.56	432.66	4.63	-39.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020282037	1	53	-1.0	-44.53	432.60	4.61	-39.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020282038	0	56	-1.0	-46.27	444.49	9.67	-36.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020282038	1	56	-1.0	-46.32	444.55	9.68	-36.64
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1	REAL300020282039	0	49	-1.0	-40.98	393.06	6.97	-34.01
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1	REAL300020282039	1	49	-1.0	-41.01	393.12	6.98	-34.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1	REAL300020282040	0	46	-1.0	-46.28	367.49	6.23	-40.05
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1	REAL300020282040	1	46	-1.0	-46.28	367.55	6.25	-40.03
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1	REAL300020282041	0	53	-1.0	-42.43	421.46	8.98	-33.45
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1	REAL300020282041	1	53	-1.0	-42.33	421.49	8.97	-33.36
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020282042	0	56	-1.0	-48.72	443.95	4.46	-44.26
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020282042	1	56	-1.0	-48.76	444.01	4.47	-44.29
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020282043	0	53	-1.0	-50.80	421.29	3.75	-47.05
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020282043	1	53	-1.0	-50.79	421.35	3.76	-47.03
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020282044	0	56	-1.0	-43.64	443.72	7.24	-36.40
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020282044	1	56	-1.0	-43.65	443.78	7.26	-36.39
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020282045	0	53	-1.0	-42.67	434.78	6.51	-36.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020282045	1	53	-1.0	-42.69	434.84	6.53	-36.16
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCCOC	REAL300020282046	0	59	-1.0	-45.13	472.45	5.68	-39.45
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCCOC	REAL300020282046	1	59	-1.0	-45.10	472.50	5.70	-39.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCCOC	REAL300020282047	0	56	-1.0	-44.43	458.28	4.79	-39.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCCOC	REAL300020282047	1	56	-1.0	-44.44	458.34	4.82	-39.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020282048	0	56	-1.0	-44.30	440.68	10.22	-34.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020282048	1	56	-1.0	-44.30	440.74	10.25	-34.05
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020282049	0	54	-1.0	-43.13	412.91	5.69	-37.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020282049	1	54	-1.0	-43.12	412.96	5.71	-37.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020282050	0	51	-1.0	-46.87	390.79	5.16	-41.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020282050	1	51	-1.0	-46.90	390.85	5.18	-41.72
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020282051	0	53	-1.0	-41.57	423.41	5.73	-35.84
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020282051	1	53	-1.0	-41.56	423.47	5.75	-35.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020282052	0	50	-1.0	-51.00	396.03	5.21	-45.79
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020282052	1	50	-1.0	-50.98	396.11	5.23	-45.75
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020282053	0	56	-1.0	-41.78	437.95	6.57	-35.21
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020282053	1	56	-1.0	-41.76	438.01	6.58	-35.18
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020282054	0	53	-1.0	-41.97	421.50	5.83	-36.14
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020282054	1	53	-1.0	-41.98	421.56	5.86	-36.12
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COC)C1	REAL300020282055	0	54	-1.0	-43.35	434.43	4.62	-38.73
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COC)C1	REAL300020282055	1	54	-1.0	-43.39	434.49	4.64	-38.75
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC)C1	REAL300020282056	0	51	-1.0	-42.91	402.47	3.27	-39.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC)C1	REAL300020282056	1	51	-1.0	-42.91	402.53	3.30	-39.61
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020282057	0	55	-1.0	-41.81	433.83	4.91	-36.90
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020282057	1	55	-1.0	-41.83	433.88	4.92	-36.91
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020282058	0	52	-1.0	-42.43	414.82	3.77	-38.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020282058	1	52	-1.0	-42.47	414.88	3.79	-38.68
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020282059	0	47	-1.0	-43.07	401.67	4.89	-38.18
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020282059	1	47	-1.0	-43.07	401.73	4.92	-38.15
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020282060	0	48	-1.0	-41.67	408.44	6.17	-35.50
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020282060	1	48	-1.0	-41.64	408.50	6.18	-35.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020282061	0	45	-1.0	-42.04	392.96	5.19	-36.85
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020282061	1	45	-1.0	-42.09	393.03	5.21	-36.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCC)C1	REAL300020282062	0	56	-1.0	-41.84	440.49	6.79	-35.05
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCC)C1	REAL300020282062	1	56	-1.0	-41.79	440.55	6.80	-34.99
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC)C1	REAL300020282063	0	53	-1.0	-42.56	427.38	6.15	-36.41
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC)C1	REAL300020282063	1	53	-1.0	-42.57	427.44	6.17	-36.40
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020282064	0	53	-1.0	-43.10	413.74	5.70	-37.40
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020282064	1	53	-1.0	-43.10	413.81	5.72	-37.38
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020282065	0	50	-1.0	-44.05	397.80	5.10	-38.95
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020282065	1	50	-1.0	-44.03	397.86	5.13	-38.90
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020282066	0	56	-1.0	-49.19	440.43	9.66	-39.53
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020282066	1	56	-1.0	-49.16	440.48	9.68	-39.48
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCC	REAL300020282067	0	59	-1.0	-45.65	472.75	6.04	-39.61
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCC	REAL300020282067	1	59	-1.0	-45.64	472.81	6.05	-39.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCC	REAL300020282068	0	56	-1.0	-44.84	458.79	5.19	-39.65
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCC	REAL300020282068	1	56	-1.0	-44.85	458.84	5.21	-39.64
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020282069	0	51	-1.0	-46.01	423.62	6.03	-39.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020282069	1	51	-1.0	-45.99	423.68	6.06	-39.93
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020282070	0	50	-1.0	-43.49	413.21	7.24	-36.25
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020282070	1	50	-1.0	-43.48	413.27	7.25	-36.23
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020282071	0	47	-1.0	-43.87	386.97	6.63	-37.24
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020282071	1	47	-1.0	-43.83	387.03	6.66	-37.17
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020282072	0	54	-1.0	-45.54	435.40	6.32	-39.22
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020282072	1	54	-1.0	-45.51	435.46	6.33	-39.18
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020282073	0	51	-1.0	-46.33	413.38	5.72	-40.61
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020282073	1	51	-1.0	-46.35	413.44	5.75	-40.60
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020282074	0	51	-1.0	-48.50	417.85	2.31	-46.19
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020282074	1	51	-1.0	-48.52	417.90	2.32	-46.20
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020282075	0	48	-1.0	-47.75	400.11	1.66	-46.09
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020282075	1	48	-1.0	-47.70	400.17	1.70	-46.00
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020282076	0	53	-1.0	-41.68	417.96	6.23	-35.45
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020282076	1	53	-1.0	-41.69	418.01	6.25	-35.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020282077	0	50	-1.0	-42.72	396.04	5.45	-37.27
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020282077	1	50	-1.0	-42.76	396.09	5.48	-37.28
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020282078	0	55	-1.0	-41.40	428.56	8.06	-33.34
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020282078	1	55	-1.0	-41.38	428.62	8.08	-33.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020282079	0	52	-1.0	-42.00	410.77	7.41	-34.59
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020282079	1	52	-1.0	-41.98	410.83	7.44	-34.54
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020282080	0	45	-1.0	-42.81	387.96	5.19	-37.62
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020282080	1	45	-1.0	-42.84	388.02	5.21	-37.63
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020282081	0	42	-1.0	-43.66	360.75	4.99	-38.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020282081	1	42	-1.0	-43.64	360.81	5.01	-38.63
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020282082	0	58	-1.0	-43.23	472.26	10.23	-33.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020282082	1	58	-1.0	-43.22	472.31	10.25	-32.97
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C#N	REAL300020282083	0	49	-1.0	-47.28	402.41	6.99	-40.29
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C#N	REAL300020282083	1	49	-1.0	-47.25	402.47	7.00	-40.25
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C#N	REAL300020282084	0	46	-1.0	-45.24	389.41	6.16	-39.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C#N	REAL300020282084	1	46	-1.0	-45.36	389.47	6.18	-39.18
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020282085	0	53	-1.0	-49.64	433.90	9.01	-40.63
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020282085	1	53	-1.0	-49.60	433.94	9.01	-40.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020282086	0	59	0.0	-60.85	451.27	8.50	-52.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020282086	1	59	0.0	-60.86	451.33	8.52	-52.34
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020282087	0	56	-1.0	-44.83	446.73	4.52	-40.31
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020282087	1	56	-1.0	-44.79	446.79	4.54	-40.25
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020282088	0	53	-1.0	-45.98	426.04	3.55	-42.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020282088	1	53	-1.0	-46.01	426.09	3.57	-42.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020282089	0	55	-1.0	-43.54	427.02	5.00	-38.54
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020282089	1	55	-1.0	-43.52	427.08	5.02	-38.50
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020282090	0	55	-1.0	-42.07	435.20	4.47	-37.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020282090	1	55	-1.0	-42.03	435.25	4.50	-37.53
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020282091	0	61	-1.0	-40.93	471.54	9.61	-31.32
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020282091	1	61	-1.0	-40.92	471.60	9.62	-31.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020282092	0	58	-1.0	-41.62	450.05	8.82	-32.80
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020282092	1	58	-1.0	-41.60	450.10	8.84	-32.76
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020282093	0	56	-1.0	-48.83	432.00	9.32	-39.51
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020282093	1	56	-1.0	-48.78	432.06	9.34	-39.44
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020282094	0	47	-1.0	-48.71	383.25	2.35	-46.36
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020282094	1	47	-1.0	-48.70	383.31	2.37	-46.33
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020282095	0	44	-1.0	-48.89	361.15	2.14	-46.75
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020282095	1	44	-1.0	-48.89	361.21	2.16	-46.73
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020282096	0	51	-1.0	-49.81	407.37	4.21	-45.60
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020282096	1	51	-1.0	-49.78	407.41	4.20	-45.58
CCNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020282097	0	55	-1.0	-48.20	442.57	4.76	-43.44
CCNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020282097	1	55	-1.0	-48.17	442.62	4.79	-43.38
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020282098	0	56	-1.0	-45.64	450.87	5.12	-40.52
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020282098	1	56	-1.0	-45.65	450.93	5.14	-40.51
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020282099	0	53	-1.0	-49.96	424.78	4.59	-45.37
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020282099	1	53	-1.0	-49.99	424.84	4.61	-45.38
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020282100	0	55	-1.0	-42.85	447.76	7.59	-35.26
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020282100	1	55	-1.0	-42.84	447.81	7.60	-35.24
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020282101	0	52	-1.0	-47.78	421.67	7.06	-40.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020282101	1	52	-1.0	-47.80	421.72	7.07	-40.73
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020282102	0	53	-1.0	-49.50	434.32	7.54	-41.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020282102	1	53	-1.0	-49.51	434.38	7.56	-41.95
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020282103	0	53	-1.0	-44.97	424.19	7.47	-37.50
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020282103	1	53	-1.0	-45.01	424.23	7.50	-37.51
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020282104	0	58	-1.0	-41.36	464.89	10.15	-31.21
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020282104	1	58	-1.0	-41.34	464.95	10.16	-31.18
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020282105	0	55	-1.0	-41.98	449.65	9.27	-32.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020282105	1	55	-1.0	-41.94	449.71	9.30	-32.64
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020282106	0	51	-1.0	-46.61	426.68	2.61	-44.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020282106	1	51	-1.0	-46.62	426.73	2.64	-43.98
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020282107	0	53	-1.0	-41.81	421.40	6.05	-35.76
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020282107	1	53	-1.0	-41.75	421.45	6.06	-35.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020282108	0	50	-1.0	-46.47	399.61	5.44	-41.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020282108	1	50	-1.0	-46.49	399.67	5.46	-41.03
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)CC1	REAL300020282109	0	58	-1.0	-43.68	457.65	4.21	-39.47
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)CC1	REAL300020282109	1	58	-1.0	-43.68	457.71	4.23	-39.45
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020282109	1	59	0.0	-67.40	458.50	6.54	-60.86
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)CC1	REAL300020282110	0	55	-1.0	-44.14	439.60	3.53	-40.61
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)CC1	REAL300020282110	1	55	-1.0	-44.13	439.66	3.57	-40.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020282110	1	56	0.0	-67.67	436.59	5.94	-61.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020282111	0	55	-1.0	-46.96	446.95	7.75	-39.21
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020282111	1	55	-1.0	-46.98	447.01	7.76	-39.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020282112	0	52	-1.0	-46.63	426.29	6.77	-39.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020282112	1	52	-1.0	-46.59	426.35	6.80	-39.79
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC	REAL300020282113	0	52	-1.0	-43.05	417.27	5.81	-37.24
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC	REAL300020282113	1	52	-1.0	-43.04	417.33	5.83	-37.21
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC	REAL300020282114	0	49	-1.0	-42.62	403.11	4.92	-37.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC	REAL300020282114	1	49	-1.0	-42.59	403.17	4.95	-37.64
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020282115	0	56	-1.0	-47.87	443.69	4.45	-43.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020282115	1	56	-1.0	-47.90	443.75	4.47	-43.43
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020282116	0	59	-1.0	-41.94	462.70	7.21	-34.73
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020282116	1	59	-1.0	-41.93	462.76	7.23	-34.70
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020282117	0	56	-1.0	-42.65	441.19	6.43	-36.22
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020282117	1	56	-1.0	-42.65	441.24	6.46	-36.19
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020282118	0	57	-1.0	-42.41	433.45	7.10	-35.31
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020282118	1	57	-1.0	-42.40	433.51	7.11	-35.29
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020282119	0	54	-1.0	-42.84	418.96	6.46	-36.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020282119	1	54	-1.0	-42.79	419.02	6.49	-36.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020282120	0	56	-1.0	-46.66	434.81	9.50	-37.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020282120	1	56	-1.0	-46.66	434.87	9.53	-37.13
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020282121	0	51	-1.0	-55.93	425.70	3.28	-52.65
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020282121	1	51	-1.0	-55.94	425.76	3.30	-52.64
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020282122	0	48	-1.0	-54.90	411.49	2.41	-52.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020282122	1	48	-1.0	-54.90	411.55	2.44	-52.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020282123	0	55	-1.0	-45.41	439.64	4.88	-40.53
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020282123	1	55	-1.0	-45.38	439.70	4.90	-40.48
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1	REAL300020282124	0	52	-1.0	-43.31	404.54	7.44	-35.87
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1	REAL300020282124	1	52	-1.0	-43.36	404.60	7.46	-35.90
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1	REAL300020282125	0	49	-1.0	-42.48	392.21	6.82	-35.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1	REAL300020282125	1	49	-1.0	-42.54	392.27	6.84	-35.70
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)C1	REAL300020282126	0	56	-1.0	-42.89	436.51	9.43	-33.46
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)C1	REAL300020282126	1	56	-1.0	-42.87	436.54	9.42	-33.45
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020282127	0	53	-1.0	-40.98	421.50	7.81	-33.17
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020282127	1	53	-1.0	-40.98	421.56	7.82	-33.16
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020282128	0	50	-1.0	-48.71	387.79	7.43	-41.28
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020282128	1	50	-1.0	-48.69	387.84	7.45	-41.24
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020282129	0	47	-1.0	-45.51	393.50	6.62	-38.89
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020282129	1	47	-1.0	-45.49	393.56	6.63	-38.86
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020282130	0	44	-1.0	-52.04	366.33	5.92	-46.12
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020282130	1	44	-1.0	-52.08	366.38	5.95	-46.13
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020282131	0	59	-1.0	-42.13	455.51	7.47	-34.66
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020282131	1	59	-1.0	-42.15	455.57	7.48	-34.67
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020282132	0	56	-1.0	-42.20	442.40	7.03	-35.17
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020282132	1	56	-1.0	-42.18	442.46	7.05	-35.13
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020282133	0	61	-1.0	-46.46	466.75	9.76	-36.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020282133	1	61	-1.0	-46.50	466.81	9.78	-36.72
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020282134	0	61	-1.0	-41.17	467.22	9.35	-31.82
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020282134	1	61	-1.0	-41.18	467.28	9.37	-31.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020282135	0	58	-1.0	-45.78	445.74	8.76	-37.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020282135	1	58	-1.0	-45.79	445.80	8.78	-37.01
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020282136	0	59	-1.0	-40.94	464.56	7.58	-33.36
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020282136	1	59	-1.0	-40.98	464.62	7.59	-33.39
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020282137	0	56	-1.0	-45.36	437.19	6.78	-38.58
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020282137	1	56	-1.0	-45.35	437.25	6.79	-38.56
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020282138	0	49	-1.0	-41.82	409.97	6.66	-35.16
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020282138	1	49	-1.0	-41.82	410.02	6.67	-35.15
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020282139	0	46	-1.0	-43.62	381.69	5.92	-37.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020282139	1	46	-1.0	-43.61	381.74	5.94	-37.67
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020282140	0	61	0.0	-62.30	458.87	8.18	-54.12
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020282140	1	61	0.0	-62.33	458.93	8.19	-54.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020282141	0	58	0.0	-62.87	432.95	7.48	-55.39
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020282141	1	58	0.0	-62.90	433.00	7.49	-55.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020282142	0	52	-1.0	-44.75	434.84	8.70	-36.05
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020282142	1	52	-1.0	-44.77	434.89	8.72	-36.05
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020282143	0	54	-1.0	-41.72	414.77	7.88	-33.84
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020282143	1	54	-1.0	-41.79	414.83	7.89	-33.90
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020282144	0	51	-1.0	-41.63	402.05	7.14	-34.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020282144	1	51	-1.0	-41.69	402.11	7.17	-34.52
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020282145	0	58	-1.0	-43.59	444.76	9.15	-34.44
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020282145	1	58	-1.0	-43.63	444.73	9.14	-34.49
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020282146	0	56	-1.0	-42.60	438.20	6.94	-35.66
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020282146	1	56	-1.0	-42.62	438.26	6.96	-35.66
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020282147	0	53	-1.0	-47.64	418.85	6.08	-41.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020282147	1	53	-1.0	-47.60	418.91	6.09	-41.51
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020282148	0	53	-1.0	-49.19	441.31	4.61	-44.58
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020282148	1	53	-1.0	-49.18	441.36	4.63	-44.55
CCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282149	0	63	-1.0	-41.40	498.35	10.32	-31.08
CCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282149	1	63	-1.0	-41.39	498.40	10.35	-31.04
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020282150	0	52	-1.0	-42.30	423.29	7.49	-34.81
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020282150	1	52	-1.0	-42.28	423.35	7.50	-34.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020282151	0	49	-1.0	-43.29	403.38	6.74	-36.55
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020282151	1	49	-1.0	-43.29	403.44	6.76	-36.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020282152	0	59	-1.0	-46.37	455.25	7.53	-38.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020282152	1	59	-1.0	-46.32	455.31	7.54	-38.78
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020282153	0	52	-1.0	-41.38	428.41	8.77	-32.61
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020282153	1	52	-1.0	-41.37	428.47	8.79	-32.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020282154	0	49	-1.0	-41.60	413.18	7.90	-33.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020282154	1	49	-1.0	-41.65	413.23	7.92	-33.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020282155	0	55	-1.0	-41.59	439.49	9.29	-32.30
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020282155	1	55	-1.0	-41.61	439.55	9.30	-32.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020282156	0	52	-1.0	-43.18	419.40	8.56	-34.62
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020282156	1	52	-1.0	-43.17	419.46	8.58	-34.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020282157	0	58	-1.0	-41.74	466.99	9.76	-31.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020282157	1	58	-1.0	-41.77	467.05	9.79	-31.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020282158	0	49	-1.0	-40.88	423.49	8.35	-32.53
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020282158	1	49	-1.0	-40.88	423.55	8.38	-32.50
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020282159	0	57	-1.0	-50.09	455.37	8.61	-41.48
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020282159	1	57	-1.0	-50.11	455.43	8.62	-41.49
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020282160	0	58	0.0	-65.15	438.72	8.21	-56.94
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020282160	1	58	0.0	-64.46	446.00	8.15	-56.31
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)C(C)C1	REAL300020282160	1	57	-1.0	-41.95	432.17	5.37	-36.58
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)C(C)C1	REAL300020282160	1	57	-1.0	-42.01	432.22	5.39	-36.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020282161	0	55	0.0	-64.38	412.69	7.45	-56.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020282161	1	55	0.0	-64.75	421.34	7.18	-57.57
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020282161	1	55	0.0	-64.43	412.77	7.47	-56.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020282161	1	55	0.0	-64.75	421.40	7.20	-57.55
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)C(C)C1	REAL300020282161	1	54	-1.0	-42.57	418.78	5.08	-37.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)C(C)C1	REAL300020282161	1	54	-1.0	-42.57	418.84	5.11	-37.46
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020282162	0	56	-1.0	-41.81	443.37	6.73	-35.08
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020282162	1	56	-1.0	-41.81	443.42	6.75	-35.06
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020282163	0	53	-1.0	-46.68	407.07	6.31	-40.37
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020282163	1	53	-1.0	-46.69	407.13	6.32	-40.37
C=C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282164	0	50	-1.0	-40.81	405.76	7.39	-33.42
C=C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282164	1	50	-1.0	-40.85	405.81	7.40	-33.45
C=C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282165	0	47	-1.0	-46.55	380.09	6.68	-39.87
C=C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282165	1	47	-1.0	-46.54	380.03	6.67	-39.87
C=C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCCOCC)C1	REAL300020282166	0	54	-1.0	-42.88	429.35	9.53	-33.35
C=C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCCOCC)C1	REAL300020282166	1	54	-1.0	-42.90	429.39	9.52	-33.38
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC	REAL300020282167	0	54	-1.0	-41.62	421.53	8.06	-33.56
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC	REAL300020282167	1	54	-1.0	-41.60	421.58	8.08	-33.52
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC	REAL300020282168	0	51	-1.0	-41.40	407.39	7.20	-34.20
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC	REAL300020282168	1	51	-1.0	-41.39	407.44	7.23	-34.16
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)CC	REAL300020282169	0	58	-1.0	-42.25	457.04	9.97	-32.28
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)CC	REAL300020282169	1	58	-1.0	-42.20	457.11	9.96	-32.24
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020282170	0	53	-1.0	-45.43	430.87	7.87	-37.56
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020282170	1	53	-1.0	-45.45	430.93	7.88	-37.57
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020282171	0	50	-1.0	-49.87	408.78	7.27	-42.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020282171	1	50	-1.0	-49.88	408.84	7.29	-42.59
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020282172	0	61	-1.0	-41.19	458.23	8.82	-32.37
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020282172	1	61	-1.0	-41.17	458.29	8.84	-32.33
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020282173	0	58	-1.0	-42.02	435.65	8.35	-33.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020282173	1	58	-1.0	-42.02	435.71	8.37	-33.65
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1	REAL300020282174	0	49	-1.0	-42.66	379.54	6.62	-36.04
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1	REAL300020282174	1	49	-1.0	-42.67	379.59	6.63	-36.04
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1	REAL300020282175	0	46	-1.0	-43.24	366.43	6.18	-37.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1	REAL300020282175	1	46	-1.0	-43.25	366.48	6.20	-37.05
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1	REAL300020282176	0	53	-1.0	-43.89	416.42	8.91	-34.98
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1	REAL300020282176	1	53	-1.0	-43.84	416.45	8.90	-34.94
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020282177	0	56	-1.0	-42.67	420.55	8.20	-34.47
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020282177	1	56	-1.0	-42.69	420.60	8.21	-34.48
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020282178	0	53	-1.0	-43.91	403.81	7.56	-36.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020282178	1	53	-1.0	-43.96	403.86	7.59	-36.37
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020282179	0	56	-1.0	-41.40	443.21	6.52	-34.88
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020282179	1	56	-1.0	-41.38	443.27	6.54	-34.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020282180	0	53	-1.0	-41.79	425.45	5.87	-35.92
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020282180	1	53	-1.0	-41.82	425.51	5.89	-35.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020282181	0	56	-1.0	-47.67	435.68	6.50	-41.17
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020282181	1	56	-1.0	-47.65	435.74	6.53	-41.12
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020282182	0	52	-1.0	-54.88	430.58	3.61	-51.27
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020282182	1	52	-1.0	-54.85	430.64	3.62	-51.23
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020282183	0	49	-1.0	-55.09	412.23	2.93	-52.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020282183	1	49	-1.0	-55.11	412.29	2.96	-52.15
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020282184	0	53	-1.0	-43.50	431.18	7.74	-35.76
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020282184	1	53	-1.0	-43.49	431.24	7.76	-35.73
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020282185	0	50	-1.0	-44.61	409.65	6.96	-37.65
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020282185	1	50	-1.0	-44.63	409.70	6.99	-37.64
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020282186	0	54	-1.0	-41.63	429.57	6.68	-34.95
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020282186	1	54	-1.0	-41.61	429.63	6.69	-34.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020282187	0	51	-1.0	-41.87	408.64	5.65	-36.22
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020282187	1	51	-1.0	-41.87	408.70	5.67	-36.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CC)C1	REAL300020282188	0	56	-1.0	-41.33	437.97	6.79	-34.54
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CC)C1	REAL300020282188	1	56	-1.0	-41.32	438.03	6.80	-34.52
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CC)C1	REAL300020282189	0	53	-1.0	-42.04	416.47	6.00	-36.04
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CC)C1	REAL300020282189	1	53	-1.0	-42.06	416.53	6.03	-36.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020282190	0	52	-1.0	-57.67	426.41	3.79	-53.88
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020282190	1	52	-1.0	-57.65	426.47	3.81	-53.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020282191	0	57	-1.0	-42.70	444.60	4.99	-37.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020282191	1	57	-1.0	-42.72	444.66	5.02	-37.70
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020282192	0	51	-1.0	-54.27	432.96	3.29	-50.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020282192	1	51	-1.0	-54.28	433.02	3.33	-50.95
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020282193	0	54	-1.0	-44.17	430.72	6.21	-37.96
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020282193	1	54	-1.0	-44.15	430.78	6.22	-37.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020282194	0	51	-1.0	-45.67	408.93	5.43	-40.24
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020282194	1	51	-1.0	-45.68	408.99	5.45	-40.23
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020282195	0	51	-1.0	-44.47	432.42	6.76	-37.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020282195	1	51	-1.0	-44.46	432.48	6.79	-37.67
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020282196	0	52	-1.0	-46.88	410.85	4.85	-42.03
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020282196	1	52	-1.0	-46.90	410.91	4.86	-42.04
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020282197	0	49	-1.0	-45.55	389.37	4.06	-41.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020282197	1	49	-1.0	-45.52	389.42	4.09	-41.43
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020282198	0	49	-1.0	-42.95	407.92	7.11	-35.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020282198	1	49	-1.0	-42.99	407.98	7.14	-35.85
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020282199	0	53	-1.0	-43.92	432.63	8.14	-35.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020282199	1	53	-1.0	-43.91	432.68	8.17	-35.74
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020282200	0	56	-1.0	-45.07	448.97	5.17	-39.90
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020282200	1	56	-1.0	-45.08	449.03	5.19	-39.89
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020282201	0	53	-1.0	-45.31	431.52	4.50	-40.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020282201	1	53	-1.0	-45.29	431.57	4.53	-40.76
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020282202	0	55	-1.0	-43.31	443.48	9.54	-33.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020282202	1	55	-1.0	-43.30	443.54	9.55	-33.75
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020282203	0	52	-1.0	-42.94	429.27	8.66	-34.28
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020282203	1	52	-1.0	-42.95	429.31	8.69	-34.26
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020282204	0	59	0.0	-66.19	447.87	8.60	-57.59
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020282204	1	59	0.0	-66.24	447.93	8.61	-57.63
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020282205	0	58	0.0	-65.05	442.94	7.85	-57.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)CC1	REAL300020282205	1	57	-1.0	-41.39	440.25	5.62	-35.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020282205	1	57	-1.0	-41.41	440.31	5.63	-35.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020282206	0	55	0.0	-65.34	420.97	7.26	-58.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020282206	1	55	0.0	-65.34	420.92	7.24	-58.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)CC1	REAL300020282206	1	54	-1.0	-41.89	419.47	4.76	-37.13
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020282206	1	54	-1.0	-41.91	419.53	4.79	-37.12
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC	REAL300020282207	0	49	-1.0	-43.14	395.42	4.83	-38.31
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC	REAL300020282207	1	49	-1.0	-43.10	395.48	4.85	-38.25
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC	REAL300020282208	0	46	-1.0	-42.69	381.25	3.95	-38.74
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC	REAL300020282208	1	46	-1.0	-42.67	381.31	3.97	-38.70
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC	REAL300020282209	0	53	-1.0	-43.28	430.96	6.73	-36.55
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC	REAL300020282209	1	53	-1.0	-43.27	431.02	6.72	-36.55
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC	REAL300020282210	0	55	-1.0	-42.34	426.39	7.16	-35.18
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC	REAL300020282210	1	55	-1.0	-42.31	426.45	7.17	-35.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC	REAL300020282211	0	52	-1.0	-47.72	402.59	6.46	-41.26
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC	REAL300020282211	1	52	-1.0	-47.76	402.63	6.49	-41.27
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020282212	0	51	-1.0	-42.73	424.07	7.08	-35.65
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020282212	1	51	-1.0	-42.76	424.13	7.10	-35.66
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020282213	0	48	-1.0	-43.50	402.56	6.30	-37.20
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020282213	1	48	-1.0	-43.54	402.62	6.32	-37.22
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020282214	0	52	-1.0	-41.19	403.04	7.27	-33.92
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020282214	1	52	-1.0	-41.21	403.09	7.29	-33.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020282215	0	49	-1.0	-46.43	377.56	6.55	-39.88
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020282215	1	49	-1.0	-46.42	377.62	6.56	-39.86
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCC1	REAL300020282216	0	56	-1.0	-42.60	431.58	9.26	-33.34
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCC1	REAL300020282216	1	56	-1.0	-42.57	431.62	9.25	-33.32
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020282217	0	55	-1.0	-43.38	436.25	9.26	-34.12
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020282217	1	55	-1.0	-43.40	436.31	9.27	-34.13
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020282218	0	52	-1.0	-42.68	424.97	8.02	-34.66
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020282218	1	52	-1.0	-42.66	424.91	7.99	-34.67
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020282219	0	49	-1.0	-43.01	402.20	8.96	-34.05
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020282219	1	49	-1.0	-43.04	402.26	8.98	-34.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020282220	0	46	-1.0	-46.59	367.52	9.35	-37.24
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020282220	1	46	-1.0	-46.62	367.46	9.32	-37.30
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020282221	0	50	-1.0	-41.13	397.13	5.18	-35.95
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020282221	1	50	-1.0	-41.08	397.18	5.19	-35.89
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020282222	0	47	-1.0	-41.70	377.41	4.29	-37.41
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020282222	1	47	-1.0	-41.65	377.47	4.31	-37.34
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOCC1	REAL300020282223	0	54	-1.0	-42.38	424.96	7.16	-35.22
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOCC1	REAL300020282223	1	54	-1.0	-42.41	424.98	7.15	-35.26
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020282224	0	50	-1.0	-45.88	413.40	8.49	-37.39
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020282224	1	50	-1.0	-45.88	413.34	8.48	-37.40
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020282225	0	47	-1.0	-47.13	392.43	7.68	-39.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020282225	1	47	-1.0	-47.12	392.38	7.66	-39.46
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020282226	0	50	-1.0	-41.48	408.28	7.14	-34.34
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020282226	1	50	-1.0	-41.52	408.34	7.16	-34.36
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020282227	0	47	-1.0	-44.38	387.72	5.73	-38.65
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020282227	1	47	-1.0	-44.40	387.78	5.74	-38.66
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020282228	0	61	0.0	-64.24	460.61	8.59	-55.65
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020282228	1	61	0.0	-64.23	460.67	8.60	-55.63
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020282229	0	58	0.0	-64.52	435.47	7.81	-56.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020282229	1	58	0.0	-64.54	435.52	7.83	-56.71
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020282230	0	57	-1.0	-42.15	447.58	6.98	-35.17
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020282230	1	57	-1.0	-42.17	447.65	7.01	-35.16
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020282231	0	56	-1.0	-41.85	435.74	10.04	-31.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020282231	1	56	-1.0	-41.79	435.79	10.06	-31.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020282232	0	58	-1.0	-41.20	431.22	8.82	-32.38
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020282232	1	58	-1.0	-41.18	431.27	8.84	-32.34
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020282233	0	55	-1.0	-42.20	416.31	8.37	-33.83
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020282233	1	55	-1.0	-42.22	416.37	8.40	-33.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020282234	0	54	-1.0	-46.98	426.80	6.61	-40.37
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020282234	1	54	-1.0	-46.95	426.86	6.63	-40.32
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020282235	0	54	-1.0	-41.49	415.93	6.01	-35.48
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020282235	1	54	-1.0	-41.47	415.99	6.02	-35.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020282236	0	51	-1.0	-46.33	388.38	5.39	-40.94
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020282236	1	51	-1.0	-46.35	388.44	5.40	-40.95
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020282237	0	57	-1.0	-41.04	442.35	6.92	-34.12
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020282237	1	57	-1.0	-41.05	442.40	6.95	-34.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020282238	0	54	-1.0	-43.17	439.02	7.74	-35.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020282238	1	54	-1.0	-43.15	439.07	7.76	-35.39
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020282239	0	57	-1.0	-42.18	421.19	6.66	-35.52
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020282239	1	57	-1.0	-42.15	421.24	6.68	-35.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020282240	0	54	-1.0	-46.19	415.53	6.54	-39.65
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020282240	1	54	-1.0	-46.17	415.58	6.55	-39.62
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020282241	0	61	0.0	-64.37	454.98	8.57	-55.80
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020282241	1	61	0.0	-65.14	452.58	8.48	-56.66
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020282241	1	61	0.0	-64.47	455.04	8.59	-55.88
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020282241	1	61	0.0	-65.12	452.63	8.50	-56.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020282242	0	58	0.0	-65.81	433.33	7.96	-57.85
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020282242	1	58	0.0	-61.31	416.66	7.59	-53.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020282242	1	58	0.0	-65.84	433.37	7.98	-57.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020282242	1	58	0.0	-61.37	416.72	7.62	-53.75
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020282243	0	61	0.0	-65.47	432.47	8.58	-56.89
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020282243	1	61	0.0	-60.88	436.58	7.74	-53.14
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020282243	1	61	0.0	-65.47	432.53	8.60	-56.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020282243	1	61	0.0	-60.96	436.63	7.76	-53.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)OC	REAL300020282244	0	43	-1.0	-41.47	356.52	5.61	-35.86
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)OC	REAL300020282244	1	43	-1.0	-41.47	356.57	5.63	-35.84
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)OC	REAL300020282245	0	47	-1.0	-42.96	379.49	7.65	-35.31
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)OC	REAL300020282245	1	47	-1.0	-42.91	379.49	7.64	-35.27
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C)C1	REAL300020282246	0	53	-1.0	-42.49	416.93	6.23	-36.26
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C)C1	REAL300020282246	1	53	-1.0	-42.49	416.99	6.25	-36.24
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C)C1	REAL300020282247	0	50	-1.0	-46.79	389.75	5.50	-41.29
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C)C1	REAL300020282247	1	50	-1.0	-46.83	389.80	5.51	-41.32
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1CC	REAL300020282248	0	53	-1.0	-44.72	423.20	4.23	-40.49
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1CC	REAL300020282248	1	53	-1.0	-44.74	423.26	4.24	-40.50
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1CC	REAL300020282249	0	50	-1.0	-45.91	400.45	3.02	-42.89
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1CC	REAL300020282249	1	50	-1.0	-45.93	400.51	3.05	-42.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020282250	0	53	-1.0	-51.08	419.54	3.99	-47.09
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020282250	1	53	-1.0	-51.11	419.60	4.00	-47.11
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020282251	0	50	-1.0	-54.16	396.30	3.50	-50.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)NC	REAL300020282251	1	50	-1.0	-54.16	396.36	3.53	-50.63
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(OC)C1	REAL300020282252	0	50	-1.0	-44.15	400.24	4.54	-39.61
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(OC)C1	REAL300020282252	1	50	-1.0	-44.16	400.30	4.55	-39.61
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(OC)C1	REAL300020282253	0	47	-1.0	-48.74	378.14	4.00	-44.74
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(OC)C1	REAL300020282253	1	47	-1.0	-48.73	378.20	4.03	-44.70
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(OC)C1	REAL300020282254	0	54	-1.0	-44.61	433.34	6.65	-37.96
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(OC)C1	REAL300020282254	1	54	-1.0	-44.63	433.37	6.65	-37.98
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C	REAL300020282255	0	52	-1.0	-41.49	404.45	6.54	-34.95
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C	REAL300020282255	1	52	-1.0	-41.55	404.51	6.55	-35.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C	REAL300020282256	0	49	-1.0	-46.75	381.61	5.94	-40.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C	REAL300020282256	1	49	-1.0	-46.75	381.66	5.95	-40.80
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020282257	0	56	-1.0	-42.96	434.92	8.55	-34.41
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020282257	1	56	-1.0	-42.89	434.94	8.54	-34.35
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1CC	REAL300020282258	0	55	-1.0	-42.25	421.63	7.51	-34.74
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1CC	REAL300020282258	1	55	-1.0	-42.22	421.69	7.53	-34.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1CC	REAL300020282259	0	52	-1.0	-48.29	406.71	6.64	-41.65
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1CC	REAL300020282259	1	52	-1.0	-48.35	406.76	6.65	-41.70
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020282260	0	50	-1.0	-42.33	396.36	5.19	-37.14
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020282260	1	50	-1.0	-42.33	396.42	5.21	-37.12
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020282261	0	47	-1.0	-42.30	383.66	4.49	-37.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020282261	1	47	-1.0	-42.32	383.72	4.52	-37.80
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020282262	0	54	-1.0	-43.17	417.45	6.72	-36.45
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020282262	1	54	-1.0	-43.14	417.46	6.71	-36.43
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC(C)C	REAL300020282263	0	61	-1.0	-42.04	467.65	8.50	-33.54
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC(C)C	REAL300020282263	1	61	-1.0	-42.07	467.70	8.52	-33.55
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC(C)C	REAL300020282264	0	58	-1.0	-48.83	440.79	7.75	-41.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC(C)C	REAL300020282264	1	58	-1.0	-48.81	440.88	7.77	-41.04
CCCC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282265	0	61	-1.0	-42.37	464.39	8.19	-34.18
CCCC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282265	1	61	-1.0	-42.33	464.45	8.20	-34.13
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282266	0	58	-1.0	-41.16	432.22	7.28	-33.88
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282266	1	58	-1.0	-41.18	432.28	7.31	-33.87
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020282267	0	50	-1.0	-48.72	409.10	8.31	-40.41
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020282267	1	50	-1.0	-48.72	409.04	8.30	-40.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020282268	0	47	-1.0	-44.74	391.87	7.72	-37.02
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020282268	1	47	-1.0	-44.74	391.81	7.70	-37.04
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C)C=C1	REAL300020282269	0	46	-1.0	-46.74	381.80	7.92	-38.82
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C)C=C1	REAL300020282269	1	46	-1.0	-46.67	381.74	7.91	-38.76
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C)C=C1	REAL300020282270	0	43	-1.0	-46.73	365.02	7.29	-39.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C)C=C1	REAL300020282270	1	43	-1.0	-46.69	364.96	7.26	-39.43
CCOCCCN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020282271	0	50	-1.0	-47.47	414.96	9.99	-37.48
CCOCCCN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020282271	1	50	-1.0	-47.56	414.90	9.99	-37.57
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020282272	0	46	-1.0	-49.98	381.99	6.94	-43.04
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020282272	1	46	-1.0	-49.99	381.93	6.93	-43.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020282273	0	43	-1.0	-49.78	365.31	6.32	-43.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020282273	1	43	-1.0	-49.80	365.25	6.29	-43.51
CCOCCCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020282274	0	50	-1.0	-50.78	415.12	9.02	-41.76
CCOCCCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020282274	1	50	-1.0	-50.81	415.09	9.03	-41.78
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020282275	0	55	-1.0	-44.11	418.50	7.45	-36.66
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020282275	1	55	-1.0	-44.07	418.56	7.46	-36.61
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020282276	0	52	-1.0	-43.17	397.72	6.14	-37.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020282276	1	52	-1.0	-43.14	397.77	6.16	-36.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020282277	0	52	-1.0	-45.95	415.68	2.42	-43.53
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020282277	1	52	-1.0	-45.98	415.74	2.44	-43.54
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020282278	0	58	-1.0	-43.50	439.31	5.02	-38.48
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020282278	1	58	-1.0	-43.51	439.36	5.04	-38.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020282279	0	55	-1.0	-43.34	436.59	4.41	-38.93
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020282279	1	55	-1.0	-43.35	436.65	4.44	-38.91
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020282280	0	55	-1.0	-42.92	441.17	10.27	-32.65
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020282280	1	55	-1.0	-42.97	441.23	10.28	-32.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020282281	0	52	-1.0	-46.31	419.97	9.76	-36.55
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020282281	1	52	-1.0	-46.31	419.90	9.75	-36.56
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020282282	0	56	-1.0	-41.54	424.48	8.43	-33.11
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020282282	1	56	-1.0	-41.47	424.54	8.45	-33.02
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020282283	0	53	-1.0	-45.96	397.43	7.75	-38.21
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020282283	1	53	-1.0	-45.95	397.49	7.77	-38.18
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(OC)C1	REAL300020282284	0	53	-1.0	-45.49	413.65	5.66	-39.83
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(OC)C1	REAL300020282284	1	53	-1.0	-45.48	413.71	5.67	-39.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(OC)C1	REAL300020282285	0	50	-1.0	-44.67	398.05	4.67	-40.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(OC)C1	REAL300020282285	1	50	-1.0	-44.65	398.10	4.70	-39.95
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020282286	0	50	-1.0	-43.26	408.70	8.17	-35.09
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020282286	1	50	-1.0	-43.31	408.75	8.18	-35.13
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020282287	0	47	-1.0	-44.04	391.98	7.53	-36.51
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020282287	1	47	-1.0	-44.02	392.04	7.55	-36.47
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020282288	0	50	-1.0	-43.44	408.13	8.34	-35.10
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020282288	1	50	-1.0	-43.49	408.19	8.36	-35.13
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020282289	0	47	-1.0	-48.91	386.48	7.74	-41.17
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020282289	1	47	-1.0	-48.91	386.53	7.76	-41.15
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020282290	0	55	-1.0	-41.75	436.22	8.13	-33.62
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020282290	1	55	-1.0	-41.73	436.28	8.14	-33.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020282291	0	52	-1.0	-42.41	414.78	7.34	-35.07
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020282291	1	52	-1.0	-42.40	414.84	7.36	-35.04
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020282292	0	54	-1.0	-42.44	425.14	6.33	-36.11
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020282292	1	54	-1.0	-42.45	425.20	6.34	-36.11
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020282293	0	51	-1.0	-45.01	403.57	5.54	-39.47
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020282293	1	51	-1.0	-44.96	403.63	5.56	-39.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020282294	0	51	-1.0	-51.11	420.66	1.66	-49.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020282294	1	51	-1.0	-51.09	420.72	1.68	-49.41
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020282295	0	56	-1.0	-41.46	430.27	4.61	-36.85
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020282295	1	56	-1.0	-41.41	430.32	4.62	-36.79
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020282296	0	53	-1.0	-47.05	414.34	3.05	-44.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020282296	1	53	-1.0	-47.04	414.40	3.07	-43.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020282297	0	52	-1.0	-48.05	427.77	7.90	-40.15
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020282297	1	52	-1.0	-48.06	427.83	7.92	-40.14
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020282298	0	58	-1.0	-42.10	456.27	8.63	-33.47
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020282298	1	58	-1.0	-42.06	456.33	8.65	-33.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020282299	0	55	-1.0	-43.41	434.70	7.85	-35.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020282299	1	55	-1.0	-43.45	434.76	7.87	-35.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020282300	0	54	-1.0	-43.05	431.18	8.86	-34.19
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020282300	1	54	-1.0	-43.05	431.23	8.88	-34.17
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020282301	0	54	-1.0	-44.70	438.36	7.58	-37.12
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020282301	1	54	-1.0	-44.69	438.41	7.61	-37.08
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC1	REAL300020282302	0	52	-1.0	-40.51	408.57	7.64	-32.87
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC1	REAL300020282302	1	52	-1.0	-40.48	408.63	7.65	-32.83
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC1	REAL300020282303	0	49	-1.0	-46.19	385.19	6.94	-39.25
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC1	REAL300020282303	1	49	-1.0	-46.17	385.24	6.96	-39.21
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020282304	0	56	-1.0	-43.14	438.80	9.41	-33.73
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020282304	1	56	-1.0	-43.11	438.84	9.41	-33.70
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020282305	0	50	-1.0	-43.35	407.39	5.51	-37.84
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020282305	1	50	-1.0	-43.35	407.45	5.53	-37.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020282306	0	47	-1.0	-42.51	375.43	4.16	-38.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020282306	1	47	-1.0	-42.48	375.49	4.19	-38.29
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020282307	0	56	-1.0	-41.20	442.16	8.82	-32.38
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020282307	1	56	-1.0	-41.20	442.22	8.84	-32.36
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020282308	0	53	-1.0	-46.71	416.51	8.16	-38.55
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020282308	1	53	-1.0	-46.76	416.59	8.19	-38.57
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020282309	0	58	-1.0	-41.03	466.96	9.79	-31.24
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020282309	1	58	-1.0	-41.01	467.02	9.81	-31.20
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020282310	0	55	-1.0	-45.79	441.69	9.03	-36.76
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020282310	1	55	-1.0	-45.72	441.76	9.05	-36.67
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020282311	0	55	-1.0	-52.61	441.77	3.43	-49.18
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020282311	1	55	-1.0	-52.65	441.82	3.45	-49.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020282312	0	54	-1.0	-42.54	445.57	7.68	-34.86
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020282312	1	54	-1.0	-42.54	445.63	7.69	-34.85
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020282313	0	51	-1.0	-43.99	424.09	6.90	-37.09
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020282313	1	51	-1.0	-43.98	424.14	6.92	-37.06
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020282314	0	61	-1.0	-43.26	453.68	8.96	-34.30
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020282314	1	61	-1.0	-43.28	453.74	8.98	-34.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020282315	0	58	-1.0	-47.79	435.71	8.41	-39.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020282315	1	58	-1.0	-47.75	435.77	8.44	-39.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020282316	0	55	-1.0	-49.15	427.10	7.06	-42.09
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020282316	1	55	-1.0	-49.16	427.16	7.09	-42.07
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCOC	REAL300020282317	0	55	-1.0	-43.61	438.75	6.38	-37.23
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCOC	REAL300020282317	1	55	-1.0	-43.62	438.81	6.39	-37.23
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCOC	REAL300020282318	0	52	-1.0	-43.32	424.53	5.49	-37.83
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCOC	REAL300020282318	1	52	-1.0	-43.34	424.58	5.52	-37.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020282319	0	57	-1.0	-45.29	449.01	7.60	-37.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020282319	1	57	-1.0	-45.29	449.06	7.61	-37.68
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020282320	0	61	-1.0	-41.76	425.47	9.54	-32.22
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020282320	1	61	-1.0	-41.77	425.54	9.57	-32.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020282321	0	55	-1.0	-41.32	435.55	7.92	-33.40
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020282321	1	55	-1.0	-41.31	435.61	7.93	-33.38
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020282322	0	52	-1.0	-47.09	409.92	7.18	-39.91
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020282322	1	52	-1.0	-47.10	409.97	7.20	-39.90
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020282323	0	59	-1.0	-41.36	459.56	7.69	-33.67
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020282323	1	59	-1.0	-41.33	459.62	7.70	-33.63
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020282324	0	56	-1.0	-41.49	441.83	7.03	-34.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020282324	1	56	-1.0	-41.55	441.88	7.05	-34.50
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020282325	0	56	-1.0	-44.50	441.11	8.83	-35.67
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020282325	1	56	-1.0	-44.51	441.17	8.84	-35.67
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020282326	0	53	-1.0	-45.06	420.43	7.97	-37.09
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020282326	1	53	-1.0	-45.09	420.48	8.00	-37.09
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020282327	0	53	-1.0	-49.57	418.51	4.37	-45.20
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020282327	1	53	-1.0	-49.58	418.57	4.39	-45.19
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020282328	0	50	-1.0	-50.36	405.42	3.92	-46.44
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020282328	1	50	-1.0	-50.34	405.48	3.95	-46.39
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020282329	0	59	-1.0	-42.19	452.60	9.29	-32.90
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020282329	1	59	-1.0	-42.23	452.66	9.31	-32.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020282330	0	56	-1.0	-48.47	424.90	8.78	-39.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020282330	1	56	-1.0	-48.47	424.96	8.81	-39.66
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020282331	0	53	-1.0	-46.91	417.20	11.19	-35.72
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020282331	1	53	-1.0	-46.94	417.26	11.20	-35.74
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020282332	0	50	-1.0	-52.29	395.23	10.59	-41.70
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020282332	1	50	-1.0	-52.24	395.16	10.58	-41.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020282333	0	52	-1.0	-47.23	425.02	5.65	-41.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020282333	1	52	-1.0	-47.22	424.96	5.63	-41.59
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020282334	0	55	-1.0	-41.44	430.15	7.32	-34.12
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020282334	1	55	-1.0	-41.44	430.20	7.34	-34.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020282335	0	52	-1.0	-44.02	396.39	6.00	-38.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020282335	1	52	-1.0	-44.08	396.46	6.03	-38.05
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020282336	0	53	-1.0	-45.34	441.59	7.97	-37.37
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020282336	1	53	-1.0	-45.38	441.65	7.99	-37.39
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020282337	0	52	-1.0	-42.19	422.49	6.10	-36.09
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020282337	1	52	-1.0	-42.15	422.55	6.12	-36.03
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020282338	0	54	-1.0	-43.22	426.81	6.22	-37.00
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020282338	1	54	-1.0	-43.22	426.87	6.24	-36.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020282339	0	51	-1.0	-48.61	400.15	5.47	-43.14
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020282339	1	51	-1.0	-48.59	400.20	5.48	-43.11
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020282340	0	57	-1.0	-43.68	434.50	6.45	-37.23
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020282340	1	57	-1.0	-43.67	434.56	6.48	-37.19
C#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020282341	0	51	-1.0	-40.98	419.65	8.05	-32.93
C#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020282341	1	51	-1.0	-41.01	419.71	8.06	-32.95
C#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020282342	0	48	-1.0	-42.09	393.37	7.45	-34.64
C#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020282342	1	48	-1.0	-42.09	393.43	7.47	-34.62
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282343	0	54	-1.0	-41.79	435.98	8.63	-33.16
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282343	1	54	-1.0	-41.80	436.04	8.64	-33.16
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282344	0	51	-1.0	-42.90	414.47	8.07	-34.83
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282344	1	51	-1.0	-42.91	414.53	8.10	-34.81
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020282345	0	56	-1.0	-44.74	439.02	6.73	-38.01
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020282345	1	56	-1.0	-44.74	439.08	6.74	-38.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020282346	0	53	-1.0	-49.80	417.55	6.10	-43.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020282346	1	53	-1.0	-49.83	417.60	6.13	-43.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020282347	0	53	-1.0	-48.79	423.20	7.27	-41.52
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020282347	1	53	-1.0	-48.77	423.15	7.24	-41.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020282348	0	54	-1.0	-45.46	436.92	7.90	-37.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020282348	1	54	-1.0	-45.42	436.98	7.93	-37.49
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNC(C)=O	REAL300020282349	0	52	-1.0	-45.64	422.59	4.10	-41.54
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNC(C)=O	REAL300020282349	1	52	-1.0	-45.62	422.64	4.12	-41.50
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNC(C)=O	REAL300020282350	0	49	-1.0	-45.82	408.65	3.21	-42.61
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNC(C)=O	REAL300020282350	1	49	-1.0	-45.82	408.71	3.24	-42.58
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020282351	0	55	-1.0	-46.02	437.36	7.25	-38.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020282351	1	55	-1.0	-45.98	437.41	7.26	-38.72
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020282352	0	52	-1.0	-49.58	411.99	6.63	-42.95
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020282352	1	52	-1.0	-49.56	412.05	6.66	-42.90
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020282353	0	47	-1.0	-40.80	398.86	7.56	-33.24
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020282353	1	47	-1.0	-40.85	398.92	7.58	-33.27
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020282354	0	54	-1.0	-43.66	436.58	7.54	-36.12
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020282354	1	54	-1.0	-43.68	436.64	7.56	-36.12
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020282355	0	51	-1.0	-45.09	414.47	6.71	-38.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020282355	1	51	-1.0	-45.10	414.53	6.73	-38.37
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020282356	0	51	-1.0	-44.63	427.94	8.64	-35.99
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020282356	1	51	-1.0	-44.63	428.00	8.65	-35.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020282357	0	48	-1.0	-44.61	405.83	7.80	-36.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020282357	1	48	-1.0	-44.62	405.89	7.82	-36.80
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282358	0	51	-1.0	-42.74	418.84	8.22	-34.52
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282358	1	51	-1.0	-42.76	418.90	8.24	-34.52
C#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282359	0	48	-1.0	-42.89	398.16	7.26	-35.63
C#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282359	1	48	-1.0	-42.89	398.22	7.28	-35.61
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020282360	0	61	0.0	-63.45	447.45	7.93	-55.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020282360	1	61	0.0	-63.48	447.51	7.94	-55.54
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020282361	0	50	-1.0	-41.30	415.32	4.72	-36.58
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020282361	1	50	-1.0	-41.33	415.38	4.74	-36.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020282362	0	47	-1.0	-40.69	399.88	3.71	-36.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020282362	1	47	-1.0	-40.68	399.94	3.73	-36.95
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020282363	0	57	-1.0	-43.56	452.67	7.72	-35.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020282363	1	57	-1.0	-43.56	452.73	7.74	-35.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020282364	0	59	-1.0	-44.26	451.90	9.27	-34.99
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020282364	1	59	-1.0	-44.25	451.96	9.29	-34.96
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020282365	0	57	-1.0	-46.39	444.55	3.50	-42.89
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020282365	1	57	-1.0	-46.42	444.61	3.52	-42.90
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020282366	0	54	-1.0	-46.32	426.66	2.85	-43.47
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(OC)CC1	REAL300020282366	1	54	-1.0	-46.30	426.72	2.88	-43.42
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020282367	0	61	0.0	-64.78	469.07	8.84	-55.94
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020282367	1	61	0.0	-64.77	469.01	8.82	-55.95
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020282368	0	58	0.0	-60.54	447.23	8.06	-52.48
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020282368	1	58	0.0	-60.53	447.29	8.08	-52.45
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020282369	0	50	-1.0	-43.23	417.90	7.79	-35.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020282369	1	50	-1.0	-43.24	417.96	7.81	-35.43
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020282370	0	47	-1.0	-44.98	392.22	6.91	-38.07
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020282370	1	47	-1.0	-44.97	392.27	6.94	-38.03
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020282371	0	51	-1.0	-45.61	432.60	8.23	-37.38
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020282371	1	51	-1.0	-45.62	432.65	8.25	-37.37
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020282372	0	48	-1.0	-49.41	402.08	7.61	-41.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020282372	1	48	-1.0	-49.42	402.02	7.58	-41.84
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020282373	0	47	-1.0	-45.09	385.12	6.91	-38.18
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020282373	1	47	-1.0	-45.06	385.18	6.92	-38.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020282374	0	44	-1.0	-48.95	363.07	6.37	-42.58
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020282374	1	44	-1.0	-48.95	363.13	6.38	-42.57
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020282375	0	49	-1.0	-40.72	401.93	7.25	-33.47
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020282375	1	49	-1.0	-40.72	401.99	7.26	-33.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020282376	0	46	-1.0	-41.53	379.97	6.46	-35.07
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020282376	1	46	-1.0	-41.54	380.03	6.48	-35.06
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020282377	0	53	-1.0	-43.75	433.02	8.26	-35.49
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020282377	1	53	-1.0	-43.75	433.08	8.28	-35.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020282378	0	50	-1.0	-49.50	407.17	7.83	-41.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020282378	1	50	-1.0	-49.54	407.23	7.86	-41.68
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020282379	0	53	-1.0	-49.18	435.32	6.02	-43.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020282379	1	53	-1.0	-49.23	435.38	6.03	-43.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020282380	0	57	-1.0	-41.24	450.57	7.41	-33.83
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020282380	1	57	-1.0	-41.28	450.63	7.42	-33.86
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020282381	0	54	-1.0	-42.05	429.23	6.63	-35.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020282381	1	54	-1.0	-42.08	429.29	6.66	-35.42
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC)CC1	REAL300020282382	0	56	-1.0	-41.04	443.86	6.81	-34.23
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC)CC1	REAL300020282382	1	56	-1.0	-41.05	443.91	6.82	-34.23
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC)CC1	REAL300020282383	0	53	-1.0	-46.39	421.46	6.41	-39.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC)CC1	REAL300020282383	1	53	-1.0	-46.39	421.52	6.42	-39.97
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCCOC1	REAL300020282384	0	56	-1.0	-44.83	426.51	5.45	-39.38
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCCOC1	REAL300020282384	1	56	-1.0	-44.83	426.56	5.47	-39.36
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCCOC1	REAL300020282385	0	53	-1.0	-44.35	409.47	4.83	-39.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCCOC1	REAL300020282385	1	53	-1.0	-44.35	409.53	4.85	-39.50
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020282386	0	57	-1.0	-41.97	444.85	7.14	-34.83
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020282386	1	57	-1.0	-41.97	444.90	7.16	-34.81
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020282387	0	59	-1.0	-43.28	459.07	7.36	-35.92
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020282387	1	59	-1.0	-43.32	459.12	7.37	-35.95
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020282388	0	56	-1.0	-44.30	446.74	6.89	-37.41
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020282388	1	56	-1.0	-44.31	446.80	6.91	-37.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020282389	0	56	-1.0	-41.73	431.61	9.53	-32.20
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020282389	1	56	-1.0	-41.70	431.66	9.56	-32.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020282390	0	52	-1.0	-51.73	416.87	3.71	-48.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020282390	1	52	-1.0	-51.75	416.95	3.73	-48.02
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCSC	REAL300020282391	0	52	-1.0	-43.72	423.34	6.76	-36.96
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCSC	REAL300020282391	1	52	-1.0	-43.74	423.40	6.78	-36.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCSC	REAL300020282392	0	49	-1.0	-45.15	401.90	5.98	-39.17
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCSC	REAL300020282392	1	49	-1.0	-45.16	401.96	6.01	-39.15
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020282393	0	55	-1.0	-49.85	433.96	4.83	-45.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020282393	1	55	-1.0	-49.84	434.02	4.85	-44.99
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020282394	0	53	-1.0	-41.46	433.17	8.52	-32.94
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020282394	1	53	-1.0	-41.45	433.22	8.53	-32.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020282395	0	50	-1.0	-41.46	414.74	7.83	-33.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020282395	1	50	-1.0	-41.48	414.80	7.86	-33.62
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020282396	0	50	-1.0	-44.00	409.29	4.94	-39.06
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020282396	1	50	-1.0	-44.03	409.35	4.95	-39.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020282397	0	47	-1.0	-46.92	383.69	4.37	-42.55
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020282397	1	47	-1.0	-46.89	383.74	4.38	-42.51
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020282398	0	52	-1.0	-48.65	415.69	5.35	-43.30
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020282398	1	52	-1.0	-48.66	415.75	5.38	-43.28
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020282399	0	50	-1.0	-42.83	391.88	7.39	-35.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020282399	1	50	-1.0	-42.87	391.94	7.41	-35.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020282400	0	47	-1.0	-42.68	373.44	6.69	-35.99
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020282400	1	47	-1.0	-42.70	373.49	6.71	-35.99
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020282401	0	54	-1.0	-43.41	420.71	9.47	-33.94
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020282401	1	54	-1.0	-43.37	420.73	9.46	-33.91
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020282402	0	57	-1.0	-41.58	446.87	6.15	-35.43
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020282402	1	57	-1.0	-41.60	446.93	6.16	-35.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020282403	0	54	-1.0	-42.60	425.79	5.87	-36.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020282403	1	54	-1.0	-42.60	425.86	5.90	-36.70
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020282404	0	56	-1.0	-42.71	440.67	3.86	-38.85
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020282404	1	56	-1.0	-42.72	440.73	3.88	-38.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020282404	1	57	0.0	-69.76	437.80	6.05	-63.71
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020282405	0	59	-1.0	-43.15	446.79	9.24	-33.91
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020282405	1	59	-1.0	-43.20	446.84	9.26	-33.94
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020282406	0	56	-1.0	-41.38	452.09	9.88	-31.50
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020282406	1	56	-1.0	-41.36	452.15	9.90	-31.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020282407	0	53	-1.0	-44.94	420.42	7.99	-36.95
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020282407	1	53	-1.0	-44.96	420.47	8.01	-36.95
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCF)CCOC	REAL300020282408	0	52	-1.0	-43.12	420.42	4.82	-38.30
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCF)CCOC	REAL300020282408	1	52	-1.0	-43.14	420.48	4.84	-38.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCF)CCOC	REAL300020282409	0	49	-1.0	-41.43	395.00	4.57	-36.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCF)CCOC	REAL300020282409	1	49	-1.0	-41.42	395.06	4.60	-36.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020282410	0	54	-1.0	-49.17	426.39	4.65	-44.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020282410	1	54	-1.0	-49.19	426.45	4.67	-44.52
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020282411	0	54	-1.0	-42.61	431.54	4.81	-37.80
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020282411	1	54	-1.0	-42.58	431.60	4.83	-37.75
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020282412	0	51	-1.0	-44.32	411.27	4.11	-40.21
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020282412	1	51	-1.0	-44.34	411.33	4.13	-40.21
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020282413	0	54	-1.0	-41.16	436.10	6.45	-34.71
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020282413	1	54	-1.0	-41.15	436.15	6.46	-34.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020282414	0	51	-1.0	-42.29	411.22	5.85	-36.44
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020282414	1	51	-1.0	-42.35	411.27	5.87	-36.48
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020282415	0	59	-1.0	-41.93	440.46	8.66	-33.27
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020282415	1	59	-1.0	-41.92	440.52	8.68	-33.24
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020282416	0	57	-1.0	-42.71	428.82	5.82	-36.89
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020282416	1	57	-1.0	-42.65	428.88	5.83	-36.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020282417	0	54	-1.0	-46.69	406.75	5.28	-41.41
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020282417	1	54	-1.0	-46.74	406.81	5.29	-41.45
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020282418	0	54	-1.0	-45.22	428.22	1.72	-43.50
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020282418	1	54	-1.0	-45.23	428.27	1.74	-43.49
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020282419	0	51	-1.0	-46.01	410.43	1.08	-44.93
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020282419	1	51	-1.0	-46.04	410.49	1.11	-44.93
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020282420	0	59	-1.0	-41.59	456.68	9.63	-31.96
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020282420	1	59	-1.0	-41.58	456.73	9.65	-31.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020282421	0	56	-1.0	-41.79	439.43	8.77	-33.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020282421	1	56	-1.0	-41.76	439.48	8.80	-32.96
C=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282422	0	56	-1.0	-41.54	441.82	8.63	-32.91
C=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282422	1	56	-1.0	-41.60	441.88	8.65	-32.95
C=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282423	0	53	-1.0	-41.77	425.24	8.02	-33.75
C=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282423	1	53	-1.0	-41.80	425.29	8.04	-33.76
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC)C=C1	REAL300020282424	0	49	-1.0	-45.79	408.14	8.92	-36.87
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC)C=C1	REAL300020282424	1	49	-1.0	-45.77	408.08	8.91	-36.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC)C=C1	REAL300020282425	0	46	-1.0	-46.61	386.62	8.16	-38.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC)C=C1	REAL300020282425	1	46	-1.0	-46.64	386.56	8.13	-38.51
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282426	0	54	-1.0	-41.79	435.98	8.63	-33.16
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282426	1	54	-1.0	-41.80	436.04	8.64	-33.16
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282427	0	51	-1.0	-42.90	414.47	8.07	-34.83
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282427	1	51	-1.0	-42.91	414.53	8.10	-34.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020282428	0	61	-1.0	-41.80	444.85	9.45	-32.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020282428	1	61	-1.0	-41.80	444.91	9.48	-32.32
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020282429	0	52	-1.0	-54.15	422.21	5.92	-48.23
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020282429	1	52	-1.0	-54.14	422.15	5.90	-48.24
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020282430	0	53	-1.0	-44.45	429.53	7.80	-36.65
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020282430	1	53	-1.0	-44.45	429.59	7.82	-36.63
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020282431	0	50	-1.0	-44.66	408.04	7.26	-37.40
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020282431	1	50	-1.0	-44.66	408.10	7.28	-37.38
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020282432	0	59	-1.0	-41.64	445.70	9.05	-32.59
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020282432	1	59	-1.0	-41.64	445.75	9.08	-32.56
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C(C)CC	REAL300020282433	0	54	-1.0	-42.47	416.87	5.95	-36.52
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C(C)CC	REAL300020282433	1	54	-1.0	-42.50	416.93	5.96	-36.54
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C(C)CC	REAL300020282434	0	51	-1.0	-43.29	401.07	5.35	-37.94
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C(C)CC	REAL300020282434	1	51	-1.0	-43.23	401.13	5.38	-37.85
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C(C)CC	REAL300020282435	0	58	-1.0	-42.32	450.97	9.72	-32.60
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C(C)CC	REAL300020282435	1	58	-1.0	-42.39	451.02	9.71	-32.68
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020282436	0	57	-1.0	-43.77	420.57	8.32	-35.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020282436	1	57	-1.0	-43.75	420.63	8.35	-35.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020282437	0	52	-1.0	-46.38	416.40	4.78	-41.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020282437	1	52	-1.0	-46.40	416.46	4.81	-41.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020282438	0	53	-1.0	-42.85	433.00	7.90	-34.95
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020282438	1	53	-1.0	-42.81	433.05	7.92	-34.89
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020282439	0	57	-1.0	-43.11	434.19	7.39	-35.72
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020282439	1	57	-1.0	-43.08	434.25	7.41	-35.67
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020282440	0	54	-1.0	-46.32	420.53	6.72	-39.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020282440	1	54	-1.0	-46.37	420.59	6.73	-39.64
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020282441	0	61	-1.0	-41.35	471.97	9.27	-32.08
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020282441	1	61	-1.0	-41.35	472.02	9.29	-32.06
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020282442	0	58	-1.0	-43.39	435.56	8.26	-35.13
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020282442	1	58	-1.0	-43.41	435.61	8.28	-35.13
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020282443	0	53	-1.0	-45.18	431.19	6.28	-38.90
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020282443	1	53	-1.0	-45.16	431.25	6.30	-38.86
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020282444	0	61	-1.0	-40.73	457.84	9.32	-31.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020282444	1	61	-1.0	-40.72	457.89	9.34	-31.38
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020282445	0	58	-1.0	-43.84	431.18	8.69	-35.15
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020282445	1	58	-1.0	-43.80	431.23	8.72	-35.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020282446	0	53	-1.0	-45.65	430.49	7.05	-38.60
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020282446	1	53	-1.0	-45.69	430.43	7.03	-38.66
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020282447	0	55	-1.0	-43.26	435.15	8.20	-35.06
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020282447	1	55	-1.0	-43.23	435.21	8.22	-35.01
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020282448	0	52	-1.0	-44.16	417.39	7.54	-36.62
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020282448	1	52	-1.0	-44.17	417.45	7.57	-36.60
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCOC)CC1	REAL300020282449	0	59	-1.0	-44.09	461.18	7.45	-36.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCOC)CC1	REAL300020282449	1	59	-1.0	-44.09	461.24	7.48	-36.61
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020282450	0	54	-1.0	-43.84	427.20	5.84	-38.00
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020282450	1	54	-1.0	-43.82	427.26	5.85	-37.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020282451	0	51	-1.0	-50.43	391.01	4.95	-45.48
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020282451	1	51	-1.0	-50.43	391.06	4.98	-45.45
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020282452	0	56	-1.0	-41.22	436.75	6.73	-34.49
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020282452	1	56	-1.0	-41.28	436.81	6.74	-34.54
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020282453	0	53	-1.0	-45.59	414.92	6.11	-39.48
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020282453	1	53	-1.0	-45.61	414.97	6.14	-39.47
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020282454	0	52	-1.0	-43.39	414.49	7.66	-35.73
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020282454	1	52	-1.0	-43.41	414.55	7.68	-35.73
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020282455	0	49	-1.0	-41.37	397.02	7.00	-34.37
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020282455	1	49	-1.0	-41.35	397.08	7.02	-34.33
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020282456	0	51	-1.0	-48.75	419.91	5.18	-43.57
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020282456	1	51	-1.0	-48.77	419.96	5.19	-43.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020282457	0	48	-1.0	-53.75	400.78	4.32	-49.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020282457	1	48	-1.0	-53.78	400.84	4.34	-49.44
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020282458	0	58	-1.0	-41.37	451.20	7.97	-33.40
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020282458	1	58	-1.0	-41.40	451.26	7.98	-33.42
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020282459	0	55	-1.0	-43.01	427.12	7.09	-35.92
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020282459	1	55	-1.0	-43.07	427.18	7.11	-35.96
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020282460	0	51	-1.0	-44.49	406.31	4.92	-39.57
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020282460	1	51	-1.0	-44.49	406.37	4.94	-39.55
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020282461	0	48	-1.0	-44.65	387.52	4.18	-40.47
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020282461	1	48	-1.0	-44.68	387.58	4.20	-40.48
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020282462	0	56	-1.0	-52.01	434.21	5.86	-46.15
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020282462	1	56	-1.0	-51.97	434.26	5.88	-46.09
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020282463	0	53	-1.0	-54.17	411.60	5.33	-48.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020282463	1	53	-1.0	-54.16	411.66	5.34	-48.82
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020282464	0	51	-1.0	-42.48	406.40	8.20	-34.28
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020282464	1	51	-1.0	-42.47	406.46	8.22	-34.25
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020282465	0	48	-1.0	-42.52	389.92	7.59	-34.93
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020282465	1	48	-1.0	-42.53	389.97	7.61	-34.92
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020282466	0	54	-1.0	-45.35	432.96	3.06	-42.29
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020282466	1	54	-1.0	-45.38	433.02	3.07	-42.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020282467	0	51	-1.0	-45.50	411.39	2.41	-43.09
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020282467	1	51	-1.0	-45.49	411.45	2.44	-43.05
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020282468	0	53	-1.0	-47.98	417.96	5.25	-42.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020282468	1	53	-1.0	-48.00	418.02	5.28	-42.72
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020282469	0	56	-1.0	-49.49	453.63	6.09	-43.40
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020282469	1	56	-1.0	-49.51	453.68	6.11	-43.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020282470	0	53	-1.0	-47.91	439.41	5.22	-42.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020282470	1	53	-1.0	-47.92	439.46	5.24	-42.68
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020282471	0	53	-1.0	-44.18	420.00	4.58	-39.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020282471	1	53	-1.0	-44.19	420.06	4.60	-39.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020282472	0	50	-1.0	-47.63	397.25	4.98	-42.65
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020282472	1	50	-1.0	-47.64	397.31	5.00	-42.64
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CC	REAL300020282473	0	63	-1.0	-41.40	477.02	9.78	-31.62
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CC	REAL300020282473	1	63	-1.0	-41.39	477.07	9.79	-31.60
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CC	REAL300020282474	0	60	-1.0	-41.52	465.37	9.00	-32.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CC	REAL300020282474	1	60	-1.0	-41.53	465.43	9.03	-32.50
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020282475	0	59	-1.0	-41.37	460.16	9.73	-31.64
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020282475	1	59	-1.0	-41.34	460.21	9.75	-31.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020282476	0	56	-1.0	-42.21	438.66	8.95	-33.26
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020282476	1	56	-1.0	-42.20	438.71	8.98	-33.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020282477	0	52	-1.0	-45.43	425.31	6.96	-38.47
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020282477	1	52	-1.0	-45.40	425.37	6.98	-38.42
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020282478	0	51	-1.0	-43.93	418.10	5.39	-38.54
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020282478	1	51	-1.0	-43.92	418.15	5.41	-38.51
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020282479	0	48	-1.0	-44.01	396.04	4.58	-39.43
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020282479	1	48	-1.0	-43.98	395.99	4.55	-39.43
C=C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282480	0	49	-1.0	-41.45	394.28	6.88	-34.57
C=C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282480	1	49	-1.0	-41.49	394.34	6.89	-34.60
C=C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282481	0	46	-1.0	-41.46	378.59	6.29	-35.17
C=C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282481	1	46	-1.0	-41.47	378.53	6.28	-35.19
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020282482	0	53	-1.0	-42.87	426.94	9.03	-33.84
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020282482	1	53	-1.0	-42.83	426.90	9.01	-33.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020282483	0	54	-1.0	-50.66	432.79	7.97	-42.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020282483	1	54	-1.0	-50.68	432.84	7.99	-42.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020282484	0	50	-1.0	-44.68	410.38	5.54	-39.14
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020282484	1	50	-1.0	-44.68	410.44	5.56	-39.12
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020282485	0	51	-1.0	-43.55	397.06	4.98	-38.57
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020282485	1	51	-1.0	-43.55	397.12	5.00	-38.55
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020282486	0	48	-1.0	-48.42	378.55	4.62	-43.80
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020282486	1	48	-1.0	-48.47	378.61	4.64	-43.83
CCCCCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282487	0	61	-1.0	-47.10	469.01	8.82	-38.28
CCCCCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282487	1	61	-1.0	-47.11	469.05	8.83	-38.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020282488	0	59	-1.0	-49.73	449.38	8.53	-41.20
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020282488	1	59	-1.0	-49.71	449.43	8.55	-41.16
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020282489	0	50	-1.0	-42.16	386.96	7.20	-34.96
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020282489	1	50	-1.0	-42.15	387.01	7.21	-34.94
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020282490	0	47	-1.0	-41.80	380.84	6.94	-34.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020282490	1	47	-1.0	-41.77	380.90	6.96	-34.81
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020282491	0	54	-1.0	-43.31	418.79	9.78	-33.53
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020282491	1	54	-1.0	-43.29	418.64	9.76	-33.53
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020282492	0	55	-1.0	-44.23	441.31	6.37	-37.86
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020282492	1	55	-1.0	-44.29	441.25	6.35	-37.94
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020282493	0	50	-1.0	-43.35	424.92	5.71	-37.64
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020282493	1	50	-1.0	-43.34	424.97	5.72	-37.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020282494	0	47	-1.0	-43.31	402.93	4.91	-38.40
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020282494	1	47	-1.0	-43.39	402.99	4.93	-38.46
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C)C2	REAL300020282495	0	50	-1.0	-43.08	394.64	6.98	-36.10
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C)C2	REAL300020282495	1	50	-1.0	-43.09	394.70	6.99	-36.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C)C2	REAL300020282496	0	47	-1.0	-49.58	369.51	6.23	-43.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C)C2	REAL300020282496	1	47	-1.0	-49.56	369.55	6.27	-43.29
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020282497	0	54	-1.0	-43.39	426.96	8.86	-34.53
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020282497	1	54	-1.0	-43.38	427.07	8.85	-34.53
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020282498	0	51	-1.0	-42.49	421.19	8.07	-34.42
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020282498	1	51	-1.0	-42.45	421.25	8.09	-34.36
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020282499	0	48	-1.0	-41.91	403.57	7.35	-34.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020282499	1	48	-1.0	-41.93	403.63	7.37	-34.56
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020282500	0	54	-1.0	-41.98	426.76	6.42	-35.56
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020282500	1	54	-1.0	-41.98	426.82	6.43	-35.55
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020282501	0	51	-1.0	-43.52	392.04	4.94	-38.58
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020282501	1	51	-1.0	-43.52	392.10	4.96	-38.56
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020282502	0	59	-1.0	-43.28	459.66	9.45	-33.83
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020282502	1	59	-1.0	-43.24	459.72	9.47	-33.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020282503	0	56	-1.0	-47.98	440.01	8.81	-39.17
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020282503	1	56	-1.0	-47.97	440.07	8.83	-39.14
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)CC1	REAL300020282504	0	59	-1.0	-41.74	465.95	7.28	-34.46
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)CC1	REAL300020282504	1	59	-1.0	-41.74	466.01	7.29	-34.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)CC1	REAL300020282505	0	56	-1.0	-47.74	439.86	6.75	-40.99
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)CC1	REAL300020282505	1	56	-1.0	-47.76	439.92	6.76	-41.00
C#CCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282506	0	54	-1.0	-43.98	441.11	5.96	-38.02
C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282506	1	54	-1.0	-43.98	441.17	5.98	-38.00
C#CCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282507	0	51	-1.0	-45.14	419.56	5.18	-39.96
C#CCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282507	1	51	-1.0	-45.14	419.62	5.20	-39.94
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020282508	0	53	-1.0	-42.13	418.63	7.57	-34.56
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020282508	1	53	-1.0	-42.10	418.69	7.58	-34.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020282509	0	50	-1.0	-49.15	401.16	8.36	-40.79
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020282509	1	50	-1.0	-49.14	401.10	8.33	-40.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020282510	0	57	-1.0	-42.93	442.84	6.29	-36.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020282510	1	57	-1.0	-42.91	442.91	6.32	-36.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020282511	0	56	-1.0	-44.94	439.64	9.31	-35.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020282511	1	56	-1.0	-45.01	439.70	9.34	-35.67
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020282512	0	54	-1.0	-47.96	427.62	9.18	-38.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020282512	1	54	-1.0	-47.92	427.68	9.20	-38.72
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020282513	0	54	-1.0	-49.89	437.74	4.21	-45.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020282513	1	54	-1.0	-49.92	437.79	4.22	-45.70
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020282514	0	55	-1.0	-42.80	426.77	6.65	-36.15
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020282514	1	55	-1.0	-42.85	426.83	6.66	-36.19
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020282515	0	52	-1.0	-45.60	404.64	5.81	-39.79
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020282515	1	52	-1.0	-45.64	404.70	5.84	-39.80
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020282516	0	55	-1.0	-40.28	442.62	8.33	-31.95
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020282516	1	55	-1.0	-40.30	442.68	8.35	-31.95
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020282517	0	52	-1.0	-41.35	421.13	7.56	-33.79
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020282517	1	52	-1.0	-41.34	421.19	7.59	-33.75
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020282518	0	57	-1.0	-42.32	435.45	5.27	-37.05
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020282518	1	57	-1.0	-42.32	435.51	5.29	-37.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020282519	0	54	-1.0	-43.75	412.46	4.70	-39.05
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020282519	1	54	-1.0	-43.80	412.52	4.72	-39.08
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020282520	0	53	-1.0	-42.07	405.21	8.57	-33.50
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020282520	1	53	-1.0	-42.11	405.26	8.58	-33.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020282521	0	50	-1.0	-43.21	388.87	7.95	-35.26
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020282521	1	50	-1.0	-43.21	388.92	7.97	-35.24
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020282522	0	51	-1.0	-47.90	411.55	4.32	-43.58
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020282522	1	51	-1.0	-47.92	411.60	4.33	-43.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020282523	0	48	-1.0	-53.27	385.89	3.58	-49.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020282523	1	48	-1.0	-53.26	385.94	3.59	-49.67
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020282524	0	53	-1.0	-42.16	417.36	7.56	-34.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020282524	1	53	-1.0	-42.20	417.42	7.58	-34.62
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020282525	0	50	-1.0	-43.80	406.54	8.24	-35.56
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020282525	1	50	-1.0	-43.77	406.49	8.22	-35.55
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020282526	0	55	-1.0	-43.20	437.72	7.52	-35.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@@H](C)C1	REAL300020282526	1	55	-1.0	-43.17	437.78	7.54	-35.63
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020282527	0	56	-1.0	-42.46	452.56	6.65	-35.81
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020282527	1	56	-1.0	-42.47	452.62	6.66	-35.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020282528	0	53	-1.0	-44.34	431.06	5.86	-38.48
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020282528	1	53	-1.0	-44.29	431.13	5.89	-38.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020282529	0	59	-1.0	-48.65	455.95	7.72	-40.93
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCCC(C)C)C1	REAL300020282529	1	59	-1.0	-48.63	456.00	7.75	-40.88
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020282530	0	49	-1.0	-47.71	404.95	7.13	-40.58
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020282530	1	49	-1.0	-47.71	405.01	7.16	-40.55
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020282531	0	52	-1.0	-43.38	418.73	7.58	-35.80
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020282531	1	52	-1.0	-43.35	418.79	7.59	-35.76
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020282532	0	49	-1.0	-44.47	397.24	6.79	-37.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020282532	1	49	-1.0	-44.50	397.29	6.82	-37.68
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020282533	0	58	-1.0	-42.00	451.58	9.03	-32.97
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020282533	1	58	-1.0	-42.02	451.64	9.05	-32.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020282534	0	55	-1.0	-45.38	418.55	9.40	-35.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1C	REAL300020282534	1	55	-1.0	-45.36	418.61	9.42	-35.94
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020282535	0	58	-1.0	-41.35	457.92	9.26	-32.09
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020282535	1	58	-1.0	-41.39	457.97	9.27	-32.12
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020282536	0	55	-1.0	-41.96	436.44	8.47	-33.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=CC=C1C	REAL300020282536	1	55	-1.0	-41.96	436.49	8.50	-33.46
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020282537	0	56	-1.0	-41.24	432.18	9.04	-32.20
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020282537	1	56	-1.0	-41.24	432.24	9.05	-32.19
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020282538	0	53	-1.0	-43.73	403.19	7.48	-36.25
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020282538	1	53	-1.0	-43.73	403.25	7.51	-36.22
CC=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282539	0	59	-1.0	-40.91	467.62	9.85	-31.06
CC=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282539	1	59	-1.0	-40.88	467.68	9.87	-31.01
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282540	0	56	-1.0	-42.37	445.79	8.82	-33.55
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282540	1	56	-1.0	-42.39	445.85	8.84	-33.55
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(COC)C1	REAL300020282541	0	57	-1.0	-41.88	453.45	5.45	-36.43
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(COC)C1	REAL300020282541	1	57	-1.0	-41.91	453.51	5.47	-36.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(COC)C1	REAL300020282542	0	54	-1.0	-42.48	431.95	4.67	-37.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(COC)C1	REAL300020282542	1	54	-1.0	-42.48	432.01	4.69	-37.79
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020282543	0	54	-1.0	-48.29	437.36	3.04	-45.25
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020282543	1	54	-1.0	-48.31	437.42	3.05	-45.26
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020282544	0	51	-1.0	-47.59	405.40	1.69	-45.90
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020282544	1	51	-1.0	-47.56	405.46	1.72	-45.84
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020282545	0	56	-1.0	-46.75	436.76	11.65	-35.10
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020282545	1	56	-1.0	-46.84	436.81	11.66	-35.18
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020282546	0	53	-1.0	-52.05	415.22	11.09	-40.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020282546	1	53	-1.0	-52.07	415.16	11.08	-40.99
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020282547	0	61	0.0	-67.04	438.36	7.58	-59.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020282547	1	61	0.0	-67.09	438.42	7.61	-59.48
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020282548	0	52	-1.0	-41.18	408.46	6.32	-34.86
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020282548	1	52	-1.0	-41.17	408.52	6.33	-34.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020282549	0	49	-1.0	-47.00	393.39	5.92	-41.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020282549	1	49	-1.0	-47.00	393.46	5.93	-41.07
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020282550	0	54	-1.0	-42.42	440.81	6.26	-36.16
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020282550	1	54	-1.0	-42.44	440.87	6.27	-36.17
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020282551	0	51	-1.0	-44.29	413.18	5.60	-38.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020282551	1	51	-1.0	-44.30	413.23	5.63	-38.67
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(OCC)CC1	REAL300020282552	0	55	-1.0	-40.47	445.14	5.70	-34.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(OCC)CC1	REAL300020282552	1	55	-1.0	-40.52	445.20	5.71	-34.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(OCC)CC1	REAL300020282553	0	52	-1.0	-41.12	423.64	4.91	-36.21
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(OCC)CC1	REAL300020282553	1	52	-1.0	-41.17	423.70	4.94	-36.23
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020282554	0	55	-1.0	-41.91	438.87	8.36	-33.55
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020282554	1	55	-1.0	-41.92	438.93	8.38	-33.54
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020282555	0	52	-1.0	-43.10	412.60	7.76	-35.34
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020282555	1	52	-1.0	-43.13	412.66	7.79	-35.34
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COCC)C1	REAL300020282556	0	57	-1.0	-43.16	456.29	5.59	-37.57
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COCC)C1	REAL300020282556	1	57	-1.0	-43.20	456.35	5.60	-37.60
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COCC)C1	REAL300020282557	0	54	-1.0	-42.84	424.33	4.24	-38.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COCC)C1	REAL300020282557	1	54	-1.0	-42.85	424.38	4.26	-38.59
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(SC)CC1	REAL300020282558	0	53	-1.0	-41.80	430.48	8.08	-33.72
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(SC)CC1	REAL300020282558	1	53	-1.0	-41.80	430.54	8.09	-33.71
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(SC)CC1	REAL300020282559	0	50	-1.0	-46.63	408.69	7.48	-39.15
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(SC)CC1	REAL300020282559	1	50	-1.0	-46.65	408.75	7.49	-39.16
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020282560	0	61	-1.0	-41.25	457.99	11.27	-29.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020282560	1	61	-1.0	-41.22	458.04	11.30	-29.92
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020282561	0	53	-1.0	-44.29	424.81	3.33	-40.96
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020282561	1	53	-1.0	-44.29	424.87	3.35	-40.94
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020282562	0	50	-1.0	-47.43	402.93	2.73	-44.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020282562	1	50	-1.0	-47.41	402.99	2.75	-44.66
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020282563	0	56	-1.0	-52.01	434.21	5.86	-46.15
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020282563	1	56	-1.0	-51.97	434.26	5.88	-46.09
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020282564	0	53	-1.0	-54.17	411.60	5.33	-48.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020282564	1	53	-1.0	-54.16	411.66	5.34	-48.82
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020282565	0	53	-1.0	-48.06	416.42	7.65	-40.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020282565	1	53	-1.0	-48.09	416.48	7.66	-40.43
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020282566	0	50	-1.0	-50.62	395.55	7.10	-43.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020282566	1	50	-1.0	-50.79	395.69	7.10	-43.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020282567	0	57	-1.0	-51.56	414.32	5.62	-45.94
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020282567	1	57	-1.0	-51.60	414.37	5.63	-45.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020282568	0	53	-1.0	-42.63	436.27	7.13	-35.50
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020282568	1	53	-1.0	-42.63	436.33	7.16	-35.47
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020282569	0	51	-1.0	-43.21	401.29	6.20	-37.01
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020282569	1	51	-1.0	-43.23	401.35	6.22	-37.01
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020282570	0	48	-1.0	-47.72	379.53	5.61	-42.11
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020282570	1	48	-1.0	-47.72	379.58	5.62	-42.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020282571	0	55	-1.0	-45.89	426.10	6.87	-39.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020282571	1	55	-1.0	-45.91	426.15	6.89	-39.02
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020282572	0	53	-1.0	-43.24	428.83	6.12	-37.12
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020282572	1	53	-1.0	-43.25	428.89	6.13	-37.12
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020282573	0	50	-1.0	-43.40	411.09	5.46	-37.94
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020282573	1	50	-1.0	-43.40	411.15	5.49	-37.91
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)CCC1C	REAL300020282574	0	56	-1.0	-41.73	443.36	5.86	-35.87
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)CCC1C	REAL300020282574	1	56	-1.0	-41.71	443.41	5.88	-35.83
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)CCC1C	REAL300020282575	0	53	-1.0	-43.39	418.82	4.90	-38.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)CCC1C	REAL300020282575	1	53	-1.0	-43.42	418.87	4.93	-38.49
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020282576	0	52	-1.0	-47.52	429.10	3.58	-43.94
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020282576	1	52	-1.0	-47.56	429.16	3.60	-43.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020282577	0	49	-1.0	-51.71	406.98	3.12	-48.59
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020282577	1	49	-1.0	-51.75	407.03	3.14	-48.61
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020282578	0	53	-1.0	-43.29	431.22	5.15	-38.14
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020282578	1	53	-1.0	-43.24	431.28	5.18	-38.06
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020282579	0	54	-1.0	-45.39	427.68	7.17	-38.22
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020282579	1	54	-1.0	-45.41	427.74	7.19	-38.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020282580	0	51	-1.0	-47.24	410.91	6.53	-40.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020282580	1	51	-1.0	-47.19	410.97	6.56	-40.63
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020282581	0	46	-1.0	-49.98	381.99	6.94	-43.04
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020282581	1	46	-1.0	-49.99	381.93	6.93	-43.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020282582	0	43	-1.0	-49.78	365.31	6.32	-43.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020282582	1	43	-1.0	-49.80	365.25	6.29	-43.51
CCOCCCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020282583	0	50	-1.0	-50.78	415.12	9.02	-41.76
CCOCCCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020282583	1	50	-1.0	-50.81	415.09	9.03	-41.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020282584	0	49	-1.0	-43.90	405.25	7.18	-36.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020282584	1	49	-1.0	-43.89	405.30	7.21	-36.68
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020282585	0	54	-1.0	-44.04	410.97	7.97	-36.07
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020282585	1	54	-1.0	-44.03	411.03	7.98	-36.05
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020282586	0	51	-1.0	-48.26	391.58	8.19	-40.07
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020282586	1	51	-1.0	-48.31	391.64	8.21	-40.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020282587	0	50	-1.0	-52.28	404.60	4.56	-47.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020282587	1	50	-1.0	-52.32	404.66	4.59	-47.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020282588	0	54	-1.0	-42.32	433.30	8.48	-33.84
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020282588	1	54	-1.0	-42.31	433.36	8.50	-33.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020282589	0	51	-1.0	-42.01	415.48	7.84	-34.17
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020282589	1	51	-1.0	-42.00	415.54	7.86	-34.14
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020282590	0	59	0.0	-73.23	436.62	7.62	-65.61
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020282590	1	59	0.0	-68.81	447.10	7.98	-60.83
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020282590	1	59	0.0	-73.23	436.67	7.63	-65.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020282590	1	59	0.0	-68.80	447.16	8.00	-60.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020282591	0	56	0.0	-65.93	434.03	7.53	-58.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020282591	1	56	0.0	-66.32	429.40	7.31	-59.01
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020282591	1	56	0.0	-65.95	434.09	7.56	-58.39
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020282591	1	56	0.0	-66.34	429.45	7.34	-59.00
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020282592	0	55	-1.0	-46.03	444.48	5.54	-40.49
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020282592	1	55	-1.0	-46.01	444.54	5.56	-40.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020282593	0	52	-1.0	-46.40	426.67	4.89	-41.51
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020282593	1	52	-1.0	-46.41	426.76	4.90	-41.51
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020282594	0	61	0.0	-70.16	445.16	8.36	-61.80
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020282594	1	61	0.0	-66.19	457.46	8.19	-58.00
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020282594	1	61	0.0	-70.15	445.22	8.37	-61.78
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020282594	1	61	0.0	-66.18	457.51	8.20	-57.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020282595	0	58	0.0	-63.03	439.47	7.62	-55.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020282595	1	58	0.0	-66.30	428.91	7.50	-58.80
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020282595	1	58	0.0	-63.01	439.52	7.65	-55.36
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020282595	1	58	0.0	-66.28	428.97	7.53	-58.75
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020282596	0	50	-1.0	-48.68	421.22	5.18	-43.50
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020282596	1	50	-1.0	-48.69	421.28	5.20	-43.49
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020282597	0	47	-1.0	-54.42	396.34	4.60	-49.82
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020282597	1	47	-1.0	-54.47	396.39	4.63	-49.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020282598	0	53	-1.0	-46.07	450.11	9.05	-37.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020282598	1	53	-1.0	-46.12	450.18	9.07	-37.05
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020282599	0	49	-1.0	-44.77	414.73	9.06	-35.71
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020282599	1	49	-1.0	-44.73	414.67	9.04	-35.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020282600	0	46	-1.0	-45.44	393.14	8.29	-37.15
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020282600	1	46	-1.0	-45.47	393.08	8.26	-37.21
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020282601	0	56	-1.0	-43.22	429.86	4.55	-38.67
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020282601	1	56	-1.0	-43.16	429.92	4.56	-38.60
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020282602	0	53	-1.0	-44.25	407.11	4.10	-40.15
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020282602	1	53	-1.0	-44.27	407.17	4.13	-40.14
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020282603	0	54	-1.0	-45.39	427.68	7.17	-38.22
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020282603	1	54	-1.0	-45.41	427.74	7.19	-38.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020282604	0	51	-1.0	-47.24	410.91	6.53	-40.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020282604	1	51	-1.0	-47.19	410.97	6.56	-40.63
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020282605	0	53	-1.0	-47.66	416.42	11.25	-36.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020282605	1	53	-1.0	-47.66	416.48	11.26	-36.40
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020282606	0	50	-1.0	-52.62	394.29	10.72	-41.90
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020282606	1	50	-1.0	-52.65	394.24	10.70	-41.95
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020282607	0	50	-1.0	-41.35	394.44	6.72	-34.63
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020282607	1	50	-1.0	-41.36	394.50	6.73	-34.63
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020282608	0	47	-1.0	-40.60	391.89	6.77	-33.83
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020282608	1	47	-1.0	-40.57	391.95	6.79	-33.78
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020282609	0	52	-1.0	-42.52	419.75	5.75	-36.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020282609	1	52	-1.0	-42.53	419.81	5.76	-36.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020282610	0	49	-1.0	-47.75	394.75	5.23	-42.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020282610	1	49	-1.0	-47.79	394.81	5.26	-42.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020282611	0	54	-1.0	-48.99	427.20	6.55	-42.44
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020282611	1	54	-1.0	-49.00	427.26	6.57	-42.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020282611	1	55	0.0	-57.81	428.81	5.54	-52.27
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCOCC1	REAL300020282612	0	57	-1.0	-44.47	434.91	5.12	-39.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCOCC1	REAL300020282612	1	57	-1.0	-44.44	434.96	5.14	-39.30
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C=CC1C2	REAL300020282613	0	48	-1.0	-42.50	385.03	6.96	-35.54
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C=CC1C2	REAL300020282613	1	48	-1.0	-42.55	385.09	6.98	-35.57
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C=CC1C2	REAL300020282614	0	45	-1.0	-43.75	362.82	6.10	-37.65
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C=CC1C2	REAL300020282614	1	45	-1.0	-43.74	362.76	6.08	-37.66
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020282615	0	52	-1.0	-44.07	414.84	8.89	-35.18
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020282615	1	52	-1.0	-44.05	414.89	8.88	-35.17
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020282616	0	57	-1.0	-48.38	433.13	6.97	-41.41
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020282616	1	57	-1.0	-48.43	433.19	6.98	-41.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020282617	0	54	-1.0	-45.79	428.70	9.13	-36.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020282617	1	54	-1.0	-45.80	428.76	9.16	-36.64
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020282618	0	55	-1.0	-45.20	425.87	5.38	-39.82
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020282618	1	55	-1.0	-45.18	425.93	5.40	-39.78
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282619	0	54	-1.0	-40.88	425.12	9.11	-31.77
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282619	1	54	-1.0	-40.86	425.18	9.13	-31.73
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282620	0	51	-1.0	-46.02	400.65	8.42	-37.60
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282620	1	51	-1.0	-46.04	400.72	8.43	-37.61
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020282621	0	48	-1.0	-42.60	407.45	6.58	-36.02
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020282621	1	48	-1.0	-42.57	407.50	6.60	-35.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020282622	0	45	-1.0	-44.28	385.70	5.78	-38.50
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020282622	1	45	-1.0	-44.28	385.76	5.80	-38.48
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020282623	0	49	-1.0	-43.07	390.72	6.87	-36.20
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020282623	1	49	-1.0	-43.03	390.78	6.89	-36.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020282624	0	46	-1.0	-46.86	372.73	6.27	-40.59
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020282624	1	46	-1.0	-46.81	372.79	6.30	-40.51
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020282625	0	52	-1.0	-40.81	418.99	7.86	-32.95
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020282625	1	52	-1.0	-40.84	419.04	7.88	-32.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020282626	0	49	-1.0	-46.33	394.51	6.99	-39.34
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020282626	1	49	-1.0	-46.30	394.57	7.01	-39.29
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020282627	0	49	-1.0	-40.57	395.81	7.16	-33.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020282627	1	49	-1.0	-40.62	395.87	7.18	-33.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020282628	0	46	-1.0	-41.08	373.15	6.45	-34.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020282628	1	46	-1.0	-41.06	373.21	6.47	-34.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020282629	0	54	-1.0	-60.40	417.69	5.57	-54.83
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020282629	1	54	-1.0	-60.43	417.74	5.60	-54.83
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020282630	0	49	-1.0	-51.40	406.23	6.27	-45.13
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020282630	1	49	-1.0	-51.44	406.29	6.30	-45.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020282631	0	56	-1.0	-47.06	430.62	8.56	-38.50
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020282631	1	56	-1.0	-47.05	430.68	8.57	-38.48
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1OC	REAL300020282632	0	57	-1.0	-43.96	433.21	4.50	-39.46
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1OC	REAL300020282632	1	57	-1.0	-43.98	433.26	4.52	-39.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1OC	REAL300020282633	0	54	-1.0	-48.57	410.67	4.01	-44.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1OC	REAL300020282633	1	54	-1.0	-48.62	410.73	4.02	-44.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020282634	0	58	0.0	-64.51	440.26	7.89	-56.62
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020282634	1	58	0.0	-72.03	420.38	7.27	-64.76
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020282634	1	57	-1.0	-40.89	438.26	5.63	-35.26
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020282634	1	57	-1.0	-40.92	438.32	5.64	-35.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020282635	0	55	0.0	-64.64	414.81	7.13	-57.51
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020282635	1	55	0.0	-67.75	403.83	6.62	-61.13
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020282635	1	55	0.0	-64.67	414.86	7.15	-57.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020282635	1	55	0.0	-67.73	403.89	6.65	-61.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020282635	1	54	-1.0	-46.63	412.06	5.10	-41.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020282636	0	50	-1.0	-42.43	415.56	7.77	-34.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020282636	1	50	-1.0	-42.38	415.63	7.79	-34.59
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020282637	0	50	-1.0	-46.42	405.64	3.54	-42.88
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020282637	1	50	-1.0	-46.46	405.70	3.56	-42.90
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020282638	0	47	-1.0	-49.38	376.17	3.02	-46.36
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020282638	1	47	-1.0	-49.35	376.22	3.04	-46.31
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020282639	0	51	-1.0	-42.95	400.40	5.28	-37.67
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020282639	1	51	-1.0	-42.96	400.46	5.30	-37.66
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020282640	0	48	-1.0	-43.68	376.28	4.34	-39.34
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020282640	1	48	-1.0	-43.69	376.34	4.37	-39.32
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020282641	0	54	-1.0	-57.66	421.07	4.20	-53.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020282641	1	54	-1.0	-57.67	421.12	4.21	-53.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020282642	0	54	-1.0	-48.62	437.61	5.50	-43.12
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020282642	1	54	-1.0	-48.60	437.67	5.52	-43.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020282643	0	49	-1.0	-48.03	395.41	6.99	-41.04
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020282643	1	49	-1.0	-48.02	395.47	7.01	-41.01
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020282644	0	56	-1.0	-43.77	438.84	8.51	-35.26
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020282644	1	56	-1.0	-43.80	438.89	8.52	-35.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020282645	0	53	-1.0	-43.33	411.94	8.24	-35.09
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020282645	1	53	-1.0	-43.35	412.00	8.27	-35.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020282646	0	52	-1.0	-52.82	430.99	1.62	-51.20
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020282646	1	52	-1.0	-52.78	431.05	1.65	-51.13
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020282647	0	50	-1.0	-44.84	413.01	5.38	-39.46
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020282647	1	50	-1.0	-44.85	413.07	5.40	-39.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020282648	0	47	-1.0	-43.71	381.07	4.26	-39.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020282648	1	47	-1.0	-43.71	381.13	4.28	-39.43
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020282649	0	50	-1.0	-58.84	404.93	3.26	-55.58
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020282649	1	50	-1.0	-58.83	404.99	3.28	-55.55
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020282650	0	54	-1.0	-45.63	432.78	7.51	-38.12
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020282650	1	54	-1.0	-45.64	432.84	7.52	-38.12
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020282651	0	51	-1.0	-50.98	411.00	6.90	-44.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020282651	1	51	-1.0	-50.93	411.05	6.92	-44.01
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020282652	0	54	-1.0	-48.58	436.33	7.60	-40.98
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020282652	1	54	-1.0	-48.53	436.39	7.61	-40.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020282653	0	51	-1.0	-50.75	411.92	6.74	-44.01
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020282653	1	51	-1.0	-50.78	411.98	6.76	-44.02
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020282654	0	59	-1.0	-41.81	451.92	5.46	-36.35
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020282654	1	59	-1.0	-41.81	451.98	5.47	-36.34
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020282655	0	56	-1.0	-46.25	430.09	4.86	-41.39
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020282655	1	56	-1.0	-46.22	430.14	4.87	-41.35
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020282656	0	60	-1.0	-41.82	446.79	10.44	-31.38
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020282656	1	60	-1.0	-41.87	446.84	10.45	-31.42
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020282657	0	57	-1.0	-41.51	428.55	9.69	-31.82
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020282657	1	57	-1.0	-41.48	428.60	9.71	-31.77
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020282658	0	54	-1.0	-44.48	433.66	2.63	-41.85
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020282658	1	54	-1.0	-44.45	433.72	2.64	-41.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020282659	0	51	-1.0	-44.78	415.85	1.99	-42.79
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020282659	1	51	-1.0	-44.76	415.91	2.00	-42.76
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020282660	0	57	-1.0	-43.96	444.80	2.77	-41.19
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020282660	1	57	-1.0	-43.99	444.85	2.78	-41.21
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020282661	0	54	-1.0	-44.87	419.59	2.09	-42.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020282661	1	54	-1.0	-44.87	419.64	2.12	-42.75
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020282662	0	51	-1.0	-45.05	410.41	7.30	-37.75
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020282662	1	51	-1.0	-45.05	410.47	7.32	-37.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020282663	0	48	-1.0	-45.29	388.29	7.12	-38.17
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020282663	1	48	-1.0	-45.25	388.22	7.08	-38.17
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020282664	0	50	-1.0	-45.59	412.41	7.41	-38.18
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020282664	1	50	-1.0	-45.64	412.46	7.43	-38.21
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020282665	0	47	-1.0	-46.32	391.42	6.45	-39.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020282665	1	47	-1.0	-46.32	391.47	6.48	-39.84
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020282666	0	57	-1.0	-43.79	433.71	6.92	-36.87
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020282666	1	57	-1.0	-43.75	433.77	6.94	-36.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020282667	0	54	-1.0	-47.97	424.26	6.37	-41.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020282667	1	54	-1.0	-47.97	424.32	6.39	-41.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020282668	0	56	-1.0	-48.40	436.91	9.81	-38.59
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020282668	1	56	-1.0	-48.42	436.96	9.83	-38.59
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020282669	0	54	-1.0	-44.67	435.14	4.01	-40.66
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020282669	1	54	-1.0	-44.67	435.20	4.03	-40.64
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020282670	0	51	-1.0	-49.01	408.26	3.33	-45.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020282670	1	51	-1.0	-49.03	408.32	3.35	-45.68
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020282671	0	51	-1.0	-41.85	397.63	5.41	-36.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020282671	1	51	-1.0	-41.87	397.68	5.43	-36.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020282672	0	48	-1.0	-47.94	382.16	4.75	-43.19
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020282672	1	48	-1.0	-47.92	382.22	4.77	-43.15
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020282673	0	53	-1.0	-43.58	423.98	7.96	-35.62
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020282673	1	53	-1.0	-43.58	424.04	7.97	-35.61
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020282674	0	50	-1.0	-47.07	397.34	7.20	-39.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020282674	1	50	-1.0	-47.07	397.39	7.22	-39.85
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020282675	0	51	-1.0	-42.85	410.64	7.54	-35.31
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020282675	1	51	-1.0	-42.86	410.70	7.56	-35.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020282676	0	48	-1.0	-43.12	389.14	6.76	-36.36
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020282676	1	48	-1.0	-43.11	389.19	6.78	-36.33
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020282677	0	51	-1.0	-53.70	413.22	4.42	-49.28
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020282677	1	51	-1.0	-53.67	413.28	4.44	-49.23
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020282678	0	52	-1.0	-44.06	424.91	7.46	-36.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020282678	1	52	-1.0	-44.09	424.97	7.47	-36.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020282679	0	49	-1.0	-50.91	381.48	7.09	-43.82
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020282679	1	49	-1.0	-50.94	381.53	7.11	-43.83
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020282680	0	53	-1.0	-41.81	421.40	6.05	-35.76
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020282680	1	53	-1.0	-41.75	421.45	6.06	-35.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020282681	0	50	-1.0	-46.47	399.61	5.44	-41.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020282681	1	50	-1.0	-46.49	399.67	5.46	-41.03
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020282682	0	52	-1.0	-44.44	420.06	5.32	-39.12
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020282682	1	52	-1.0	-44.44	420.11	5.34	-39.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020282683	0	49	-1.0	-43.70	402.22	4.67	-39.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020282683	1	49	-1.0	-43.74	402.28	4.69	-39.05
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020282684	0	55	-1.0	-50.54	432.49	7.18	-43.36
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020282684	1	55	-1.0	-50.56	432.55	7.21	-43.35
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020282685	0	58	-1.0	-42.69	433.79	8.33	-34.36
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020282685	1	58	-1.0	-42.64	433.85	8.34	-34.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020282686	0	55	-1.0	-43.31	417.44	7.71	-35.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020282686	1	55	-1.0	-43.29	417.50	7.73	-35.56
C=CCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020282687	0	57	-1.0	-43.56	449.06	5.58	-37.98
C=CCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020282687	1	57	-1.0	-43.61	449.12	5.60	-38.01
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020282688	0	54	-1.0	-44.39	430.39	5.06	-39.33
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020282688	1	54	-1.0	-44.40	430.45	5.08	-39.32
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCF	REAL300020282689	0	48	-1.0	-41.85	390.17	6.66	-35.19
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCF	REAL300020282689	1	48	-1.0	-41.88	390.23	6.68	-35.20
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCF	REAL300020282690	0	45	-1.0	-45.59	371.88	5.83	-39.76
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCF	REAL300020282690	1	45	-1.0	-45.61	371.93	5.84	-39.77
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCF	REAL300020282691	0	52	-1.0	-42.86	425.65	8.54	-34.32
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCF	REAL300020282691	1	52	-1.0	-42.84	425.71	8.54	-34.30
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020282692	0	53	-1.0	-52.82	422.80	9.06	-43.76
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020282692	1	53	-1.0	-52.82	422.74	9.04	-43.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020282693	0	56	-1.0	-48.22	454.12	10.25	-37.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020282693	1	56	-1.0	-48.25	454.17	10.29	-37.96
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020282694	0	53	-1.0	-44.88	418.65	7.84	-37.04
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020282694	1	53	-1.0	-44.86	418.70	7.86	-37.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020282695	0	50	-1.0	-50.75	399.24	7.47	-43.28
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020282695	1	50	-1.0	-50.79	399.30	7.49	-43.30
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020282696	0	52	-1.0	-48.03	428.24	5.62	-42.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020282696	1	52	-1.0	-48.00	428.29	5.63	-42.37
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020282697	0	49	-1.0	-46.46	413.80	4.62	-41.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020282697	1	49	-1.0	-46.41	413.85	4.65	-41.76
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020282698	0	53	-1.0	-49.03	427.36	8.92	-40.11
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020282698	1	53	-1.0	-49.02	427.30	8.91	-40.11
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020282699	0	50	-1.0	-53.47	405.28	8.39	-45.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020282699	1	50	-1.0	-53.43	405.22	8.37	-45.06
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020282700	0	47	-1.0	-44.63	389.64	4.00	-40.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020282700	1	47	-1.0	-44.63	389.69	4.03	-40.60
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020282701	0	56	-1.0	-41.12	417.90	9.27	-31.85
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020282701	1	56	-1.0	-41.13	417.95	9.29	-31.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020282702	0	53	-1.0	-42.91	401.52	8.69	-34.22
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020282702	1	53	-1.0	-42.92	401.58	8.72	-34.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020282703	0	59	0.0	-70.74	440.68	8.25	-62.49
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020282703	1	59	0.0	-71.20	443.91	7.84	-63.36
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020282703	1	59	0.0	-70.74	440.73	8.26	-62.48
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020282703	1	59	0.0	-71.16	443.97	7.85	-63.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020282704	0	56	0.0	-66.07	424.07	7.61	-58.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020282704	1	56	0.0	-75.08	421.78	7.30	-67.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020282704	1	56	0.0	-66.07	424.13	7.63	-58.44
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020282704	1	56	0.0	-75.12	421.83	7.33	-67.79
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020282705	0	54	-1.0	-43.69	428.21	3.61	-40.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020282705	1	54	-1.0	-43.74	428.27	3.64	-40.10
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020282706	0	58	-1.0	-42.08	444.42	9.36	-32.72
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020282706	1	58	-1.0	-42.03	444.48	9.38	-32.65
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020282707	0	55	-1.0	-45.85	428.45	8.64	-37.21
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020282707	1	55	-1.0	-45.84	428.51	8.66	-37.18
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020282708	0	47	-1.0	-43.63	418.87	7.34	-36.29
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020282708	1	47	-1.0	-43.62	418.93	7.37	-36.25
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020282709	0	55	-1.0	-49.00	437.33	1.42	-47.58
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020282709	1	55	-1.0	-49.05	437.38	1.44	-47.61
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020282710	0	50	-1.0	-43.99	387.74	7.23	-36.76
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020282710	1	50	-1.0	-43.98	387.80	7.24	-36.74
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020282711	0	47	-1.0	-42.97	371.18	6.69	-36.28
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020282711	1	47	-1.0	-42.96	371.24	6.72	-36.24
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020282712	0	54	-1.0	-44.34	420.86	9.35	-34.99
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020282712	1	54	-1.0	-44.29	420.88	9.34	-34.95
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020282713	0	58	-1.0	-43.49	430.23	8.59	-34.90
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020282713	1	58	-1.0	-43.53	430.29	8.60	-34.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020282714	0	55	-1.0	-48.99	411.91	8.23	-40.76
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020282714	1	55	-1.0	-49.01	411.97	8.26	-40.75
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020282715	0	57	-1.0	-48.97	417.80	8.41	-40.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020282715	1	57	-1.0	-48.95	417.86	8.43	-40.52
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020282716	0	50	-1.0	-50.08	408.22	3.05	-47.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020282716	1	50	-1.0	-50.12	408.27	3.08	-47.04
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020282717	0	55	-1.0	-45.80	434.64	5.82	-39.98
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020282717	1	55	-1.0	-45.78	434.70	5.84	-39.94
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020282718	0	52	-1.0	-46.61	413.56	4.95	-41.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020282718	1	52	-1.0	-46.63	413.62	4.98	-41.65
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020282719	0	52	-1.0	-52.38	416.29	4.53	-47.85
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020282719	1	52	-1.0	-52.35	416.35	4.54	-47.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020282720	0	49	-1.0	-58.37	394.26	3.83	-54.54
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020282720	1	49	-1.0	-58.39	394.32	3.84	-54.55
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020282721	0	55	-1.0	-45.53	440.04	7.65	-37.88
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020282721	1	55	-1.0	-45.55	440.10	7.66	-37.89
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020282722	0	52	-1.0	-44.72	421.43	7.07	-37.65
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020282722	1	52	-1.0	-44.75	421.49	7.09	-37.66
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020282723	0	52	-1.0	-55.13	422.55	3.06	-52.07
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020282723	1	52	-1.0	-55.16	422.61	3.09	-52.07
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020282724	0	54	-1.0	-50.18	419.67	3.23	-46.95
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020282724	1	54	-1.0	-50.23	419.73	3.24	-46.99
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020282725	0	51	-1.0	-50.11	399.43	2.44	-47.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020282725	1	51	-1.0	-50.13	399.48	2.45	-47.68
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020282726	0	51	-1.0	-54.17	420.59	1.16	-53.01
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020282726	1	51	-1.0	-54.21	420.65	1.19	-53.02
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CSC)CC1	REAL300020282727	0	56	-1.0	-42.97	453.04	8.59	-34.38
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CSC)CC1	REAL300020282727	1	56	-1.0	-42.99	453.09	8.61	-34.38
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC)CC1	REAL300020282728	0	53	-1.0	-48.08	431.11	7.99	-40.09
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC)CC1	REAL300020282728	1	53	-1.0	-48.11	431.16	8.01	-40.10
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCC)C1	REAL300020282729	0	53	-1.0	-44.44	414.64	5.83	-38.61
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCC)C1	REAL300020282729	1	53	-1.0	-44.43	414.70	5.84	-38.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCC)C1	REAL300020282730	0	50	-1.0	-43.53	406.45	5.46	-38.07
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCC)C1	REAL300020282730	1	50	-1.0	-43.51	406.51	5.48	-38.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020282731	0	54	-1.0	-53.45	431.56	6.59	-46.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020282731	1	54	-1.0	-53.46	431.62	6.60	-46.86
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC(=O)NC	REAL300020282732	0	55	-1.0	-52.16	438.16	3.85	-48.31
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC(=O)NC	REAL300020282732	1	55	-1.0	-52.15	438.22	3.87	-48.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC(=O)NC	REAL300020282733	0	52	-1.0	-53.99	416.72	3.07	-50.92
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC(=O)NC	REAL300020282733	1	52	-1.0	-53.99	416.78	3.09	-50.90
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020282734	0	56	-1.0	-43.44	439.13	9.06	-34.38
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020282734	1	56	-1.0	-43.46	439.19	9.07	-34.39
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020282735	0	53	-1.0	-44.24	424.82	8.39	-35.85
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020282735	1	53	-1.0	-44.26	424.88	8.41	-35.85
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020282736	0	50	-1.0	-43.14	411.82	7.36	-35.78
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020282736	1	50	-1.0	-43.14	411.88	7.37	-35.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020282737	0	47	-1.0	-43.31	392.64	7.24	-36.07
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020282737	1	47	-1.0	-43.26	392.70	7.26	-36.00
C#CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282738	0	53	-1.0	-41.32	436.91	8.39	-32.93
C#CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282738	1	53	-1.0	-41.35	436.97	8.41	-32.94
C#CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282739	0	50	-1.0	-41.97	411.40	7.77	-34.20
C#CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282739	1	50	-1.0	-41.94	411.46	7.80	-34.14
C=CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282740	0	56	-1.0	-44.11	433.28	8.24	-35.87
C=CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282740	1	56	-1.0	-44.13	433.34	8.26	-35.87
C=CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282741	0	53	-1.0	-43.79	416.64	7.61	-36.18
C=CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282741	1	53	-1.0	-43.81	416.70	7.63	-36.18
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020282742	0	53	-1.0	-44.80	392.48	6.49	-38.31
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020282742	1	53	-1.0	-44.85	392.54	6.50	-38.35
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020282743	0	50	-1.0	-49.08	370.25	6.00	-43.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020282743	1	50	-1.0	-49.10	370.31	6.01	-43.09
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020282744	0	51	-1.0	-45.74	419.91	7.70	-38.04
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020282744	1	51	-1.0	-45.74	419.97	7.72	-38.02
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020282745	0	56	-1.0	-42.11	433.99	8.58	-33.53
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020282745	1	56	-1.0	-42.17	434.05	8.60	-33.57
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020282746	0	53	-1.0	-46.31	415.47	8.03	-38.28
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020282746	1	53	-1.0	-46.30	415.52	8.05	-38.25
C#CCN(CCO)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282747	0	48	-1.0	-45.32	404.12	3.00	-42.32
C#CCN(CCO)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282747	1	48	-1.0	-45.37	404.18	3.02	-42.35
C#CCN(CCO)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282748	0	45	-1.0	-46.28	378.59	2.40	-43.88
C#CCN(CCO)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282748	1	45	-1.0	-46.29	378.64	2.42	-43.87
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020282749	0	52	-1.0	-46.05	429.93	4.68	-41.37
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020282749	1	52	-1.0	-46.06	429.97	4.67	-41.39
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020282750	0	53	-1.0	-44.13	405.99	8.17	-35.96
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020282750	1	53	-1.0	-44.10	406.04	8.18	-35.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020282751	0	50	-1.0	-47.16	380.91	7.44	-39.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020282751	1	50	-1.0	-47.16	380.96	7.46	-39.70
CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282752	0	55	-1.0	-42.60	425.38	7.19	-35.41
CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282752	1	55	-1.0	-42.61	425.44	7.20	-35.41
CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282753	0	52	-1.0	-48.20	403.09	6.69	-41.51
CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282753	1	52	-1.0	-48.23	403.15	6.72	-41.51
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020282754	0	52	-1.0	-48.55	421.16	5.64	-42.91
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020282754	1	52	-1.0	-48.50	421.10	5.62	-42.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020282755	0	57	-1.0	-43.70	446.51	7.06	-36.64
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020282755	1	57	-1.0	-43.73	446.57	7.08	-36.65
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020282756	0	54	-1.0	-45.69	425.12	6.56	-39.13
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020282756	1	54	-1.0	-45.68	425.17	6.58	-39.10
C#CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020282757	0	55	-1.0	-42.18	453.34	7.48	-34.70
C#CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020282757	1	55	-1.0	-42.18	453.40	7.50	-34.68
C#CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020282758	0	52	-1.0	-43.10	427.07	6.88	-36.22
C#CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020282758	1	52	-1.0	-43.07	427.13	6.90	-36.17
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020282759	0	53	-1.0	-46.49	415.52	3.90	-42.59
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020282759	1	53	-1.0	-46.49	415.58	3.91	-42.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020282760	0	50	-1.0	-49.48	393.70	3.30	-46.18
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020282760	1	50	-1.0	-49.47	393.76	3.31	-46.16
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020282761	0	53	-1.0	-58.89	440.32	7.19	-51.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020282761	1	53	-1.0	-58.92	440.38	7.22	-51.70
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020282762	0	54	-1.0	-42.24	429.05	9.82	-32.42
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020282762	1	54	-1.0	-42.30	429.11	9.83	-32.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020282763	0	51	-1.0	-43.42	407.56	9.03	-34.39
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020282763	1	51	-1.0	-43.39	407.62	9.06	-34.33
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020282764	0	53	-1.0	-41.99	427.60	5.94	-36.05
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020282764	1	53	-1.0	-41.97	427.66	5.95	-36.02
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020282765	0	50	-1.0	-44.90	400.82	5.40	-39.50
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020282765	1	50	-1.0	-44.89	400.87	5.42	-39.47
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020282766	0	55	-1.0	-44.60	437.16	7.43	-37.17
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020282766	1	55	-1.0	-44.58	437.22	7.44	-37.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020282767	0	52	-1.0	-48.31	419.17	6.83	-41.48
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)OC)C1	REAL300020282767	1	52	-1.0	-48.35	419.23	6.85	-41.50
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020282768	0	54	-1.0	-51.57	425.41	9.92	-41.65
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020282768	1	54	-1.0	-51.61	425.47	9.93	-41.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020282769	0	51	-1.0	-56.89	403.29	9.39	-47.50
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C21	REAL300020282769	1	51	-1.0	-56.87	403.23	9.37	-47.50
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020282770	0	61	0.0	-64.24	453.60	8.58	-55.66
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020282770	1	61	0.0	-62.61	457.32	8.71	-53.90
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020282770	1	61	0.0	-64.29	453.66	8.59	-55.70
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020282770	1	61	0.0	-62.66	457.38	8.72	-53.94
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020282771	0	58	0.0	-62.58	432.66	7.76	-54.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020282771	1	58	0.0	-58.87	436.52	7.71	-51.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020282771	1	58	0.0	-62.62	432.71	7.78	-54.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020282771	1	58	0.0	-58.88	436.58	7.74	-51.14
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020282772	0	50	-1.0	-41.82	401.84	7.35	-34.47
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020282772	1	50	-1.0	-41.88	401.90	7.36	-34.52
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020282773	0	47	-1.0	-42.33	383.75	6.69	-35.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020282773	1	47	-1.0	-42.32	383.81	6.72	-35.60
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020282774	0	54	-1.0	-43.59	428.36	9.42	-34.17
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020282774	1	54	-1.0	-43.57	428.43	9.41	-34.16
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020282775	0	59	-1.0	-40.96	445.67	9.09	-31.87
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020282775	1	59	-1.0	-40.95	445.73	9.10	-31.85
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020282776	0	56	-1.0	-47.26	419.34	8.57	-38.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020282776	1	56	-1.0	-47.26	419.40	8.59	-38.67
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020282777	0	53	-1.0	-48.53	423.57	6.31	-42.22
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020282777	1	53	-1.0	-48.54	423.63	6.33	-42.21
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020282778	0	50	-1.0	-43.09	406.77	5.94	-37.15
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020282778	1	50	-1.0	-43.14	406.82	5.96	-37.18
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC)C1CCOCC1	REAL300020282779	0	55	-1.0	-43.22	436.83	6.02	-37.20
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC)C1CCOCC1	REAL300020282779	1	55	-1.0	-43.25	436.88	6.05	-37.20
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC)C1CCCC1	REAL300020282780	0	57	-1.0	-43.53	446.15	8.42	-35.11
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC)C1CCCC1	REAL300020282780	1	57	-1.0	-43.52	446.21	8.43	-35.09
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC)C1CCCC1	REAL300020282781	0	54	-1.0	-44.36	428.74	7.83	-36.53
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC)C1CCCC1	REAL300020282781	1	54	-1.0	-44.34	428.80	7.86	-36.48
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020282782	0	47	-1.0	-43.34	402.02	7.95	-35.39
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020282782	1	47	-1.0	-43.33	402.08	7.97	-35.36
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020282783	0	50	-1.0	-55.42	406.77	3.26	-52.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020282783	1	50	-1.0	-55.40	406.83	3.29	-52.11
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020282784	0	53	-1.0	-43.15	420.34	8.06	-35.09
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020282784	1	53	-1.0	-43.17	420.40	8.07	-35.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020282785	0	50	-1.0	-44.15	395.89	7.11	-37.04
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020282785	1	50	-1.0	-44.16	395.95	7.13	-37.03
C=CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282786	0	55	-1.0	-41.75	434.42	7.66	-34.09
C=CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282786	1	55	-1.0	-41.78	434.48	7.67	-34.11
C=CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282787	0	52	-1.0	-43.14	412.98	6.87	-36.27
C=CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282787	1	52	-1.0	-43.15	413.03	6.90	-36.25
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020282788	0	54	-1.0	-42.02	426.08	7.81	-34.21
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020282788	1	54	-1.0	-42.04	426.14	7.82	-34.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020282789	0	51	-1.0	-47.92	402.49	7.30	-40.62
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020282789	1	51	-1.0	-47.93	402.55	7.32	-40.61
C#CC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282790	0	48	-1.0	-44.69	386.08	6.99	-37.70
C#CC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282790	1	48	-1.0	-44.74	386.14	7.00	-37.74
C#CC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282791	0	45	-1.0	-48.10	363.99	6.45	-41.65
C#CC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282791	1	45	-1.0	-48.14	364.05	6.48	-41.66
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020282792	0	52	-1.0	-45.96	423.45	9.50	-36.46
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020282792	1	52	-1.0	-46.01	423.49	9.49	-36.52
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020282793	0	56	-1.0	-43.77	436.65	8.95	-34.82
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020282793	1	56	-1.0	-43.78	436.71	8.96	-34.82
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020282794	0	53	-1.0	-44.53	416.45	8.14	-36.39
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020282794	1	53	-1.0	-44.57	416.38	8.11	-36.46
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020282795	0	57	-1.0	-42.59	434.06	5.67	-36.92
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020282795	1	57	-1.0	-42.61	434.12	5.70	-36.91
C#CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282796	0	51	-1.0	-42.69	414.79	7.32	-35.37
C#CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282796	1	51	-1.0	-42.68	414.85	7.33	-35.35
C#CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282797	0	48	-1.0	-47.79	391.41	6.70	-41.09
C#CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282797	1	48	-1.0	-47.85	391.47	6.71	-41.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020282798	0	55	-1.0	-46.43	440.05	4.81	-41.62
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020282798	1	55	-1.0	-46.45	440.11	4.82	-41.63
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020282799	0	53	-1.0	-45.62	427.35	4.36	-41.26
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020282799	1	53	-1.0	-45.64	427.41	4.38	-41.26
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020282800	0	50	-1.0	-52.41	403.20	3.73	-48.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020282800	1	50	-1.0	-52.41	403.26	3.76	-48.65
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020282801	0	56	-1.0	-47.38	438.84	12.05	-35.33
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020282801	1	56	-1.0	-47.39	438.89	12.07	-35.32
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020282802	0	53	-1.0	-52.35	416.71	11.53	-40.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020282802	1	53	-1.0	-52.35	416.66	11.50	-40.85
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020282803	0	53	-1.0	-41.82	407.69	7.72	-34.10
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020282803	1	53	-1.0	-41.88	407.75	7.73	-34.15
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020282804	0	50	-1.0	-43.36	388.38	7.06	-36.30
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020282804	1	50	-1.0	-43.36	388.44	7.09	-36.27
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282805	0	47	-1.0	-41.93	382.03	6.64	-35.29
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282805	1	47	-1.0	-41.94	382.09	6.66	-35.28
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282806	0	44	-1.0	-47.90	355.17	5.98	-41.92
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282806	1	44	-1.0	-47.85	355.10	5.96	-41.89
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCCOCC)C1	REAL300020282807	0	51	-1.0	-43.98	399.11	7.92	-36.06
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCCOCC)C1	REAL300020282807	1	51	-1.0	-44.00	399.15	7.90	-36.10
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020282808	0	55	-1.0	-46.47	440.22	1.40	-45.07
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020282808	1	55	-1.0	-46.49	440.27	1.41	-45.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020282809	0	52	-1.0	-48.97	418.72	0.61	-48.36
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020282809	1	52	-1.0	-48.96	418.78	0.64	-48.32
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020282810	0	55	-1.0	-41.83	426.64	6.40	-35.43
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020282810	1	55	-1.0	-41.84	426.70	6.42	-35.42
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020282811	0	52	-1.0	-45.65	396.52	5.55	-40.10
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020282811	1	52	-1.0	-45.67	396.58	5.57	-40.10
C=CCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282812	0	52	-1.0	-42.14	424.21	7.08	-35.06
C=CCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282812	1	52	-1.0	-42.14	424.27	7.10	-35.04
C=CCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282813	0	49	-1.0	-42.17	399.02	7.07	-35.10
C=CCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282813	1	49	-1.0	-42.15	399.07	7.09	-35.06
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020282814	0	56	-1.0	-43.30	451.45	8.97	-34.33
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020282814	1	56	-1.0	-43.24	451.48	8.96	-34.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020282815	0	47	-1.0	-43.16	401.01	5.10	-38.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020282815	1	47	-1.0	-43.14	401.07	5.12	-38.02
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020282816	0	47	-1.0	-48.10	397.08	5.15	-42.95
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020282816	1	47	-1.0	-48.18	397.13	5.17	-43.01
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020282817	0	52	-1.0	-44.75	432.60	6.30	-38.45
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020282817	1	52	-1.0	-44.80	432.66	6.32	-38.48
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020282818	0	49	-1.0	-45.66	411.11	5.52	-40.14
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020282818	1	49	-1.0	-45.65	411.16	5.54	-40.11
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020282819	0	50	-1.0	-44.74	403.27	5.02	-39.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020282819	1	50	-1.0	-44.70	403.33	5.04	-39.66
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020282820	0	51	-1.0	-46.12	422.09	8.62	-37.50
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020282820	1	51	-1.0	-46.13	422.18	8.64	-37.49
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020282821	0	55	-1.0	-50.60	424.95	7.40	-43.20
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020282821	1	55	-1.0	-50.63	425.01	7.41	-43.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020282822	0	52	-1.0	-57.61	401.05	7.12	-50.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020282822	1	52	-1.0	-57.63	401.10	7.13	-50.50
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020282823	0	53	-1.0	-42.72	414.88	4.89	-37.83
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020282823	1	53	-1.0	-42.71	414.94	4.90	-37.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020282824	0	50	-1.0	-43.81	398.31	4.32	-39.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020282824	1	50	-1.0	-43.77	398.37	4.35	-39.42
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020282825	0	55	-1.0	-44.94	420.45	4.85	-40.09
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020282825	1	55	-1.0	-44.90	420.51	4.87	-40.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020282826	0	52	-1.0	-46.21	403.76	4.23	-41.98
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020282826	1	52	-1.0	-46.20	403.82	4.25	-41.95
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CCC1C	REAL300020282827	0	52	-1.0	-41.33	424.04	6.93	-34.40
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CCC1C	REAL300020282827	1	52	-1.0	-41.32	424.09	6.94	-34.38
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CCC1C	REAL300020282828	0	49	-1.0	-45.16	394.64	6.10	-39.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CCC1C	REAL300020282828	1	49	-1.0	-45.19	394.69	6.12	-39.07
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020282829	0	54	-1.0	-44.91	418.85	6.17	-38.74
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020282829	1	54	-1.0	-44.95	418.90	6.18	-38.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020282830	0	51	-1.0	-50.71	394.89	5.66	-45.05
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020282830	1	51	-1.0	-50.73	394.94	5.68	-45.05
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020282831	0	56	-1.0	-42.45	441.33	8.94	-33.51
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020282831	1	56	-1.0	-42.45	441.39	8.96	-33.49
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020282832	0	56	-1.0	-43.02	434.98	9.55	-33.47
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020282832	1	56	-1.0	-43.04	435.04	9.57	-33.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020282833	0	55	-1.0	-48.58	448.54	8.19	-40.39
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020282833	1	55	-1.0	-48.57	448.60	8.21	-40.36
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020282834	0	56	-1.0	-42.97	408.80	5.35	-37.62
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020282834	1	56	-1.0	-42.92	408.85	5.36	-37.56
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020282835	0	53	-1.0	-43.95	387.29	4.57	-39.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020282835	1	53	-1.0	-43.99	387.35	4.59	-39.40
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020282836	0	54	-1.0	-42.57	420.60	5.99	-36.58
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020282836	1	54	-1.0	-42.60	420.66	6.00	-36.60
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020282837	0	51	-1.0	-47.09	398.61	5.38	-41.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020282837	1	51	-1.0	-47.08	398.67	5.40	-41.68
C=CCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282838	0	55	-1.0	-41.92	439.38	8.64	-33.28
C=CCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282838	1	55	-1.0	-41.95	439.44	8.65	-33.30
C=CCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282839	0	52	-1.0	-41.82	425.16	7.76	-34.06
C=CCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282839	1	52	-1.0	-41.83	425.22	7.79	-34.04
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020282840	0	49	-1.0	-42.57	409.21	7.22	-35.35
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020282840	1	49	-1.0	-42.56	409.26	7.23	-35.33
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020282841	0	46	-1.0	-42.39	387.76	6.43	-35.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020282841	1	46	-1.0	-42.45	387.82	6.45	-36.00
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC1OC	REAL300020282842	0	53	-1.0	-44.23	417.90	5.92	-38.31
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC1OC	REAL300020282842	1	53	-1.0	-44.15	417.95	5.93	-38.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC1OC	REAL300020282843	0	50	-1.0	-47.66	387.05	5.20	-42.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC1OC	REAL300020282843	1	50	-1.0	-47.68	387.10	5.23	-42.45
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282844	0	54	-1.0	-44.61	427.55	6.40	-38.21
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282844	1	54	-1.0	-44.59	427.60	6.41	-38.18
C=CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020282845	0	51	-1.0	-45.22	410.97	5.76	-39.46
C=CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020282845	1	51	-1.0	-45.21	411.03	5.79	-39.42
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020282846	0	54	-1.0	-42.35	439.72	8.77	-33.58
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020282846	1	54	-1.0	-42.33	439.78	8.79	-33.54
C#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020282847	0	51	-1.0	-43.77	413.45	8.17	-35.60
C#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020282847	1	51	-1.0	-43.82	413.51	8.20	-35.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020282848	0	59	-1.0	-42.27	452.38	9.36	-32.91
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020282848	1	59	-1.0	-42.29	452.44	9.39	-32.90
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020282849	0	56	-1.0	-42.52	441.84	6.47	-36.05
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020282849	1	56	-1.0	-42.47	441.90	6.49	-35.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020282850	0	53	-1.0	-42.48	424.01	5.82	-36.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020282850	1	53	-1.0	-42.48	424.07	5.84	-36.64
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020282851	0	53	-1.0	-43.90	419.92	4.49	-39.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020282851	1	53	-1.0	-43.94	419.97	4.50	-39.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020282852	0	50	-1.0	-42.37	408.96	3.74	-38.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020282852	1	50	-1.0	-42.39	409.02	3.77	-38.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020282853	0	57	-1.0	-50.09	443.29	4.67	-45.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](COC)[C@H](COC)C1	REAL300020282853	1	57	-1.0	-50.09	443.35	4.69	-45.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020282854	0	50	-1.0	-43.78	371.84	2.32	-41.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020282854	1	50	-1.0	-43.74	371.91	2.33	-41.41
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(C)C	REAL300020282855	0	57	-1.0	-41.64	444.14	8.59	-33.05
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(C)C	REAL300020282855	1	57	-1.0	-41.66	444.20	8.61	-33.05
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(C)C	REAL300020282856	0	54	-1.0	-41.55	429.92	7.71	-33.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(C)C	REAL300020282856	1	54	-1.0	-41.53	429.97	7.73	-33.80
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020282857	0	52	-1.0	-46.96	431.31	8.23	-38.73
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020282857	1	52	-1.0	-47.02	431.37	8.25	-38.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020282858	0	49	-1.0	-46.49	409.75	7.46	-39.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020282858	1	49	-1.0	-46.49	409.80	7.48	-39.01
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCN1CCOCC1	REAL300020282859	0	58	-1.0	-42.83	457.69	4.15	-38.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020282859	1	58	-1.0	-42.84	457.75	4.17	-38.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020282859	1	59	0.0	-68.54	460.27	6.44	-62.10
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020282860	0	56	-1.0	-42.46	445.77	9.16	-33.30
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020282860	1	56	-1.0	-42.47	445.82	9.18	-33.29
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020282861	0	53	-1.0	-42.67	430.42	8.24	-34.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020282861	1	53	-1.0	-42.70	430.47	8.27	-34.43
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020282862	0	52	-1.0	-43.42	423.26	7.82	-35.60
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020282862	1	52	-1.0	-43.38	423.31	7.83	-35.55
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020282863	0	49	-1.0	-43.55	401.52	7.02	-36.53
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020282863	1	49	-1.0	-43.58	401.58	7.05	-36.53
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020282864	0	59	-1.0	-41.04	456.14	6.87	-34.17
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020282864	1	59	-1.0	-41.01	456.20	6.89	-34.12
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020282865	0	56	-1.0	-44.80	418.94	5.81	-38.99
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020282865	1	56	-1.0	-44.80	418.99	5.82	-38.98
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCOC)C1	REAL300020282866	0	59	-1.0	-43.07	462.23	7.11	-35.96
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCOC)C1	REAL300020282866	1	59	-1.0	-43.07	462.29	7.13	-35.94
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCOC)C1	REAL300020282867	0	56	-1.0	-44.85	440.70	6.58	-38.27
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCOC)C1	REAL300020282867	1	56	-1.0	-44.84	440.76	6.60	-38.24
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282868	0	54	-1.0	-44.00	416.57	6.91	-37.09
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282868	1	54	-1.0	-44.00	416.63	6.92	-37.08
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282869	0	51	-1.0	-48.73	383.58	5.89	-42.84
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282869	1	51	-1.0	-48.73	383.62	5.89	-42.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020282870	0	57	-1.0	-42.84	429.07	7.12	-35.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020282870	1	57	-1.0	-42.88	429.13	7.14	-35.74
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020282871	0	54	-1.0	-42.60	405.41	7.96	-34.64
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020282871	1	54	-1.0	-42.57	405.47	7.98	-34.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020282872	0	51	-1.0	-46.27	391.61	7.44	-38.83
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020282872	1	51	-1.0	-46.32	391.67	7.47	-38.85
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020282873	0	55	-1.0	-41.65	437.35	5.30	-36.35
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020282873	1	55	-1.0	-41.67	437.40	5.32	-36.35
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020282874	0	52	-1.0	-43.16	415.84	4.52	-38.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020282874	1	52	-1.0	-43.24	415.89	4.54	-38.70
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020282875	0	57	-1.0	-45.73	450.36	4.65	-41.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020282875	1	57	-1.0	-45.73	450.41	4.68	-41.05
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020282876	0	58	-1.0	-41.84	434.40	8.74	-33.10
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020282876	1	58	-1.0	-41.85	434.46	8.75	-33.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020282877	0	55	-1.0	-46.41	407.48	8.06	-38.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020282877	1	55	-1.0	-46.39	407.53	8.08	-38.31
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020282878	0	54	-1.0	-43.60	424.93	6.31	-37.29
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020282878	1	54	-1.0	-43.59	424.99	6.33	-37.26
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020282879	0	51	-1.0	-44.12	408.38	5.68	-38.44
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020282879	1	51	-1.0	-44.09	408.44	5.70	-38.39
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020282880	0	53	-1.0	-47.77	419.87	6.81	-40.96
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020282880	1	53	-1.0	-47.78	419.93	6.82	-40.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020282881	0	50	-1.0	-56.76	396.38	6.31	-50.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020282881	1	50	-1.0	-56.77	396.43	6.33	-50.44
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020282882	0	53	-1.0	-43.86	432.52	7.62	-36.24
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020282882	1	53	-1.0	-43.86	432.58	7.63	-36.23
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020282883	0	50	-1.0	-48.39	403.73	6.64	-41.75
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020282883	1	50	-1.0	-48.41	403.79	6.67	-41.74
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020282884	0	56	-1.0	-44.90	441.91	8.74	-36.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020282884	1	56	-1.0	-44.98	441.97	8.77	-36.21
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020282885	0	55	-1.0	-43.19	415.06	7.69	-35.50
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020282885	1	55	-1.0	-43.17	415.11	7.70	-35.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020282886	0	52	-1.0	-49.27	395.76	7.32	-41.95
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020282886	1	52	-1.0	-49.28	395.81	7.35	-41.93
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020282887	0	50	-1.0	-47.23	393.50	2.41	-44.82
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020282887	1	50	-1.0	-47.23	393.56	2.43	-44.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020282888	0	47	-1.0	-45.72	371.99	1.62	-44.10
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020282888	1	47	-1.0	-45.79	372.04	1.64	-44.15
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020282889	0	44	-1.0	-43.92	380.21	6.72	-37.20
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020282889	1	44	-1.0	-43.94	380.27	6.73	-37.21
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCOC)C1	REAL300020282890	0	57	-1.0	-43.44	455.92	5.04	-38.40
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCOC)C1	REAL300020282890	1	57	-1.0	-43.45	455.97	5.05	-38.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCOC)C1	REAL300020282891	0	54	-1.0	-43.79	438.17	4.38	-39.41
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCOC)C1	REAL300020282891	1	54	-1.0	-43.76	438.23	4.42	-39.34
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020282892	0	54	-1.0	-45.15	430.72	5.31	-39.84
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020282892	1	54	-1.0	-45.18	430.78	5.32	-39.86
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020282893	0	51	-1.0	-45.19	410.05	4.47	-40.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020282893	1	51	-1.0	-45.23	410.10	4.49	-40.74
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020282894	0	61	-1.0	-42.66	465.67	9.54	-33.12
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020282894	1	61	-1.0	-42.69	465.72	9.55	-33.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020282895	0	58	-1.0	-42.01	448.63	8.92	-33.09
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020282895	1	58	-1.0	-42.04	448.69	8.94	-33.10
C=CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282896	0	52	-1.0	-41.77	417.88	7.86	-33.91
C=CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282896	1	52	-1.0	-41.83	417.93	7.87	-33.96
C=CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282897	0	49	-1.0	-41.54	403.66	6.98	-34.56
C=CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282897	1	49	-1.0	-41.58	403.72	7.01	-34.57
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020282898	0	56	-1.0	-42.38	453.37	9.75	-32.63
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020282898	1	56	-1.0	-42.37	453.43	9.75	-32.62
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020282899	0	57	-1.0	-42.04	444.43	7.00	-35.04
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020282899	1	57	-1.0	-41.99	444.49	7.01	-34.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020282900	0	54	-1.0	-47.36	422.56	6.39	-40.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020282900	1	54	-1.0	-47.33	422.62	6.40	-40.93
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020282901	0	48	-1.0	-50.61	393.56	5.80	-44.81
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020282901	1	48	-1.0	-50.64	393.62	5.82	-44.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020282902	0	45	-1.0	-50.11	372.25	5.02	-45.09
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020282902	1	45	-1.0	-50.11	372.30	5.04	-45.07
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020282903	0	54	-1.0	-41.78	429.52	6.12	-35.66
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020282903	1	54	-1.0	-41.80	429.58	6.14	-35.66
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020282904	0	51	-1.0	-42.51	408.31	5.18	-37.33
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020282904	1	51	-1.0	-42.49	408.36	5.20	-37.29
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020282905	0	52	-1.0	-52.33	403.44	6.44	-45.89
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020282905	1	52	-1.0	-52.34	403.49	6.46	-45.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020282906	0	50	-1.0	-41.28	404.29	5.23	-36.05
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020282906	1	50	-1.0	-41.24	404.35	5.25	-35.99
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020282907	0	47	-1.0	-47.14	380.30	4.72	-42.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020282907	1	47	-1.0	-47.16	380.36	4.73	-42.43
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020282908	0	54	-1.0	-49.06	423.43	4.95	-44.11
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020282908	1	54	-1.0	-49.07	423.48	4.97	-44.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020282909	0	61	-1.0	-43.59	460.52	9.11	-34.48
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020282909	1	61	-1.0	-43.57	460.58	9.14	-34.43
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020282910	0	59	-1.0	-41.90	448.42	8.80	-33.10
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020282910	1	59	-1.0	-41.84	448.48	8.81	-33.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020282911	0	56	-1.0	-43.21	426.93	8.02	-35.19
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020282911	1	56	-1.0	-43.16	426.98	8.04	-35.12
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020282912	0	52	-1.0	-46.14	420.87	7.61	-38.53
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020282912	1	52	-1.0	-46.16	420.92	7.63	-38.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020282913	0	49	-1.0	-42.94	403.19	6.95	-35.99
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020282913	1	49	-1.0	-42.95	403.25	6.98	-35.97
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020282914	0	57	-1.0	-43.62	466.52	8.45	-35.17
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020282914	1	57	-1.0	-43.61	466.58	8.46	-35.15
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020282915	0	54	-1.0	-49.21	440.87	7.71	-41.50
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020282915	1	54	-1.0	-49.21	440.94	7.73	-41.48
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020282916	0	49	-1.0	-43.67	405.09	6.91	-36.76
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020282916	1	49	-1.0	-43.67	405.14	6.94	-36.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020282917	0	53	-1.0	-50.60	425.22	3.45	-47.15
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020282917	1	53	-1.0	-50.59	425.28	3.46	-47.13
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020282918	0	50	-1.0	-53.87	403.15	3.02	-50.85
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020282918	1	50	-1.0	-53.88	403.21	3.04	-50.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020282919	0	54	-1.0	-50.66	429.84	5.78	-44.88
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020282919	1	54	-1.0	-50.64	429.90	5.80	-44.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020282920	0	56	-1.0	-42.93	446.19	9.83	-33.10
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020282920	1	56	-1.0	-42.93	446.24	9.85	-33.08
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020282921	0	52	-1.0	-51.08	405.00	3.35	-47.73
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020282921	1	52	-1.0	-51.06	405.05	3.37	-47.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020282922	0	49	-1.0	-48.50	394.82	2.73	-45.77
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020282922	1	49	-1.0	-48.49	394.88	2.76	-45.73
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020282923	0	56	-1.0	-45.15	437.09	8.43	-36.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020282923	1	56	-1.0	-45.16	437.15	8.45	-36.71
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020282924	0	52	-1.0	-40.32	441.02	8.38	-31.94
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020282924	1	52	-1.0	-40.30	441.08	8.39	-31.91
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020282925	0	49	-1.0	-41.08	419.52	7.59	-33.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020282925	1	49	-1.0	-41.11	419.57	7.62	-33.49
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020282926	0	56	-1.0	-44.69	435.20	8.44	-36.25
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020282926	1	56	-1.0	-44.66	435.25	8.46	-36.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020282927	0	57	-1.0	-42.41	442.59	6.82	-35.59
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020282927	1	57	-1.0	-42.41	442.64	6.83	-35.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020282928	0	54	-1.0	-43.17	406.00	5.66	-37.51
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020282928	1	54	-1.0	-43.23	406.05	5.68	-37.55
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020282929	0	57	-1.0	-43.02	441.89	6.02	-37.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020282929	1	57	-1.0	-42.99	441.94	6.05	-36.94
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020282930	0	53	-1.0	-54.03	429.34	9.33	-44.70
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020282930	1	53	-1.0	-54.05	429.28	9.31	-44.74
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020282931	0	53	-1.0	-41.12	422.06	8.18	-32.94
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020282931	1	53	-1.0	-41.12	422.12	8.20	-32.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020282932	0	50	-1.0	-43.04	400.46	7.41	-35.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020282932	1	50	-1.0	-43.08	400.51	7.44	-35.64
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C2	REAL300020282933	0	47	-1.0	-42.46	374.14	6.61	-35.85
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C2	REAL300020282933	1	47	-1.0	-42.43	374.19	6.62	-35.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1C2	REAL300020282934	0	44	-1.0	-43.42	356.36	5.96	-37.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1C2	REAL300020282934	1	44	-1.0	-43.39	356.41	5.99	-37.40
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C2	REAL300020282935	0	51	-1.0	-43.12	406.17	8.72	-34.40
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C2	REAL300020282935	1	51	-1.0	-43.07	406.22	8.71	-34.36
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020282936	0	56	-1.0	-42.88	439.71	6.55	-36.33
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020282936	1	56	-1.0	-42.85	439.77	6.56	-36.29
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020282937	0	53	-1.0	-48.07	410.24	5.72	-42.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020282937	1	53	-1.0	-48.11	410.29	5.74	-42.37
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020282938	0	57	-1.0	-44.00	445.23	7.21	-36.79
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020282938	1	57	-1.0	-43.99	445.29	7.22	-36.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020282939	0	54	-1.0	-46.83	418.81	6.41	-40.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020282939	1	54	-1.0	-46.82	418.87	6.43	-40.39
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020282940	0	54	-1.0	-43.98	434.42	6.30	-37.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020282940	1	54	-1.0	-44.02	434.47	6.32	-37.70
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020282941	0	57	-1.0	-42.24	453.70	7.33	-34.91
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020282941	1	57	-1.0	-42.26	453.75	7.34	-34.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020282942	0	54	-1.0	-42.90	435.86	6.67	-36.23
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020282942	1	54	-1.0	-42.89	435.92	6.69	-36.20
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020282943	0	47	-1.0	-49.02	408.05	9.02	-40.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020282943	1	47	-1.0	-49.01	408.00	8.99	-40.02
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020282944	0	59	-1.0	-42.06	445.58	6.86	-35.20
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020282944	1	59	-1.0	-42.07	445.64	6.89	-35.18
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020282945	0	52	-1.0	-49.61	419.35	5.51	-44.10
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020282945	1	52	-1.0	-49.63	419.41	5.53	-44.10
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1NCC1=C(C)C=CO1	REAL300020282946	0	49	-1.0	-43.64	411.90	8.02	-35.62
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1NCC1=C(C)C=CO1	REAL300020282946	1	49	-1.0	-43.64	411.96	8.03	-35.61
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NCC1=C(C)C=CO1	REAL300020282947	0	46	-1.0	-44.05	390.41	7.24	-36.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NCC1=C(C)C=CO1	REAL300020282947	1	46	-1.0	-44.10	390.46	7.26	-36.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020282948	0	56	-1.0	-42.89	440.02	9.59	-33.30
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020282948	1	56	-1.0	-42.93	440.07	9.61	-33.32
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020282949	0	51	-1.0	-43.09	392.80	5.43	-37.66
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020282949	1	51	-1.0	-43.07	392.86	5.44	-37.63
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020282950	0	48	-1.0	-44.10	376.61	4.84	-39.26
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020282950	1	48	-1.0	-44.03	376.67	4.87	-39.16
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020282951	0	49	-1.0	-42.52	379.04	6.07	-36.45
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020282951	1	49	-1.0	-42.58	379.10	6.08	-36.50
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020282952	0	46	-1.0	-44.05	368.31	5.99	-38.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020282952	1	46	-1.0	-44.03	368.36	6.02	-38.01
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020282953	0	51	-1.0	-52.06	421.84	2.99	-49.07
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020282953	1	51	-1.0	-52.06	421.90	3.01	-49.05
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020282954	0	48	-1.0	-52.07	397.36	2.00	-50.07
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020282954	1	48	-1.0	-52.03	397.42	2.03	-50.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020282955	0	55	-1.0	-45.86	411.19	5.82	-40.04
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020282955	1	55	-1.0	-45.86	411.24	5.84	-40.02
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282956	0	51	-1.0	-41.26	413.93	7.10	-34.16
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282956	1	51	-1.0	-41.29	413.99	7.11	-34.18
C#C[C@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282957	0	48	-1.0	-42.37	392.43	6.31	-36.06
C#C[C@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282957	1	48	-1.0	-42.37	392.49	6.34	-36.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020282958	0	52	-1.0	-47.83	422.99	7.81	-40.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020282958	1	52	-1.0	-47.85	423.05	7.83	-40.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020282959	0	47	-1.0	-50.73	399.93	8.01	-42.72
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020282959	1	47	-1.0	-50.75	399.88	8.00	-42.75
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020282960	0	51	-1.0	-51.31	432.99	3.19	-48.12
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020282960	1	51	-1.0	-51.33	433.04	3.22	-48.11
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020282961	0	48	-1.0	-43.70	396.24	6.78	-36.92
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020282961	1	48	-1.0	-43.71	396.30	6.79	-36.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020282962	0	45	-1.0	-42.90	382.02	5.90	-37.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020282962	1	45	-1.0	-42.95	382.07	5.93	-37.02
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020282963	0	52	-1.0	-43.29	414.66	7.80	-35.49
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020282963	1	52	-1.0	-43.31	414.71	7.82	-35.49
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020282964	0	49	-1.0	-42.04	400.21	6.90	-35.14
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020282964	1	49	-1.0	-42.03	400.26	6.92	-35.11
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020282965	0	50	-1.0	-58.99	403.65	3.62	-55.37
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020282965	1	50	-1.0	-59.02	403.72	3.64	-55.38
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020282966	0	51	-1.0	-44.58	422.34	5.60	-38.98
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020282966	1	51	-1.0	-44.57	422.39	5.62	-38.95
C#CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020282967	0	48	-1.0	-44.85	400.84	4.81	-40.04
C#CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020282967	1	48	-1.0	-44.85	400.90	4.84	-40.01
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC1	REAL300020282968	0	56	-1.0	-44.05	439.84	6.27	-37.78
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC1	REAL300020282968	1	56	-1.0	-44.08	439.89	6.28	-37.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC1	REAL300020282969	0	53	-1.0	-44.69	422.24	5.61	-39.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC1	REAL300020282969	1	53	-1.0	-44.70	422.30	5.64	-39.06
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020282970	0	56	-1.0	-46.72	449.49	9.33	-37.39
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020282970	1	56	-1.0	-46.73	449.54	9.35	-37.38
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020282971	0	53	-1.0	-42.48	428.65	6.58	-35.90
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020282971	1	53	-1.0	-42.48	428.67	6.60	-35.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020282972	0	49	-1.0	-42.05	400.08	6.89	-35.16
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020282972	1	49	-1.0	-42.05	400.14	6.90	-35.15
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020282973	0	46	-1.0	-42.39	378.55	6.10	-36.29
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020282973	1	46	-1.0	-42.45	378.60	6.13	-36.32
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020282974	0	59	-1.0	-46.29	435.59	9.02	-37.27
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020282974	1	59	-1.0	-46.29	435.65	9.04	-37.25
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020282975	0	47	-1.0	-41.30	401.70	5.87	-35.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020282975	1	47	-1.0	-41.32	401.75	5.90	-35.42
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020282976	0	55	-1.0	-48.23	442.58	7.62	-40.61
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020282976	1	55	-1.0	-48.22	442.64	7.65	-40.57
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020282977	0	54	-1.0	-56.91	424.73	9.89	-47.02
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020282977	1	54	-1.0	-56.91	424.69	9.87	-47.04
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020282978	0	59	-1.0	-41.80	442.56	8.84	-32.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020282978	1	59	-1.0	-41.81	442.62	8.86	-32.95
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020282979	0	52	-1.0	-43.29	415.59	7.73	-35.56
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020282979	1	52	-1.0	-43.30	415.64	7.74	-35.56
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020282980	0	49	-1.0	-42.17	406.67	6.99	-35.18
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020282980	1	49	-1.0	-42.18	406.73	7.01	-35.17
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020282981	0	54	-1.0	-45.55	426.93	4.54	-41.01
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020282981	1	54	-1.0	-45.51	426.99	4.55	-40.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020282982	0	51	-1.0	-45.60	405.47	3.76	-41.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020282982	1	51	-1.0	-45.59	405.53	3.79	-41.80
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020282983	0	50	-1.0	-47.33	420.18	7.15	-40.18
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020282983	1	50	-1.0	-47.32	420.24	7.16	-40.16
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020282984	0	47	-1.0	-45.20	402.42	6.49	-38.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020282984	1	47	-1.0	-45.19	402.48	6.52	-38.67
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020282985	0	54	-1.0	-51.42	423.46	4.46	-46.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020282985	1	54	-1.0	-51.44	423.52	4.48	-46.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020282986	0	54	-1.0	-45.52	427.21	5.36	-40.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020282986	1	54	-1.0	-45.54	427.27	5.39	-40.15
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020282987	0	51	-1.0	-45.70	406.44	5.93	-39.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020282987	1	51	-1.0	-45.70	406.50	5.94	-39.76
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020282988	0	48	-1.0	-45.80	384.95	5.14	-40.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020282988	1	48	-1.0	-45.77	385.01	5.17	-40.60
CCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020282989	0	58	-1.0	-40.57	453.78	8.98	-31.59
CCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020282989	1	58	-1.0	-40.52	453.84	9.00	-31.52
CCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020282990	0	55	-1.0	-42.12	427.51	8.38	-33.74
CCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020282990	1	55	-1.0	-42.13	427.56	8.40	-33.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020282991	0	46	-1.0	-43.92	376.40	5.46	-38.46
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020282991	1	46	-1.0	-43.86	376.46	5.47	-38.39
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020282992	0	43	-1.0	-43.73	359.69	4.83	-38.90
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020282992	1	43	-1.0	-43.73	359.75	4.85	-38.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020282993	0	56	-1.0	-46.92	444.54	4.37	-42.55
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020282993	1	56	-1.0	-46.96	444.60	4.39	-42.57
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020282994	0	53	-1.0	-46.53	423.05	3.59	-42.94
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020282994	1	53	-1.0	-46.53	423.10	3.61	-42.92
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020282995	0	53	-1.0	-41.56	414.53	8.12	-33.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020282995	1	53	-1.0	-41.58	414.59	8.14	-33.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020282996	0	50	-1.0	-46.97	388.85	7.30	-39.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020282996	1	50	-1.0	-46.97	388.90	7.32	-39.65
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020282997	0	53	-1.0	-43.79	401.41	7.18	-36.61
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020282997	1	53	-1.0	-43.79	401.47	7.21	-36.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020282998	0	50	-1.0	-44.33	386.32	6.63	-37.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020282998	1	50	-1.0	-44.34	386.38	6.65	-37.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020282999	0	53	-1.0	-43.69	432.15	6.51	-37.18
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020282999	1	53	-1.0	-43.73	432.09	6.48	-37.25
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020283000	0	52	-1.0	-41.31	414.96	7.50	-33.81
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020283000	1	52	-1.0	-41.30	415.02	7.51	-33.79
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020283001	0	49	-1.0	-45.70	393.02	6.90	-38.80
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020283001	1	49	-1.0	-45.70	393.08	6.91	-38.79
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020283002	0	54	-1.0	-49.94	426.56	4.86	-45.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020283002	1	54	-1.0	-49.89	426.62	4.89	-45.00
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020283003	0	55	-1.0	-42.88	439.21	8.55	-34.33
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020283003	1	55	-1.0	-42.92	439.27	8.57	-34.35
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020283004	0	52	-1.0	-44.73	418.30	7.86	-36.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020283004	1	52	-1.0	-44.69	418.36	7.89	-36.80
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020283005	0	53	-1.0	-43.91	408.10	3.95	-39.96
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020283005	1	53	-1.0	-43.90	408.16	3.97	-39.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020283006	0	50	-1.0	-44.04	386.61	3.17	-40.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020283006	1	50	-1.0	-44.07	386.66	3.19	-40.88
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020283007	0	57	-1.0	-42.66	440.34	5.55	-37.11
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020283007	1	57	-1.0	-42.63	440.40	5.57	-37.06
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C(C)C1CCC1	REAL300020283008	0	58	-1.0	-41.95	439.82	8.98	-32.97
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C(C)C1CCC1	REAL300020283008	1	58	-1.0	-41.95	439.87	8.99	-32.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C(C)C1CCC1	REAL300020283009	0	55	-1.0	-43.06	426.64	6.49	-36.57
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C(C)C1CCC1	REAL300020283009	1	55	-1.0	-43.11	426.69	6.52	-36.59
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020283010	0	44	-1.0	-40.00	388.19	7.11	-32.89
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020283010	1	44	-1.0	-40.02	388.25	7.14	-32.88
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020283011	0	52	-1.0	-43.26	427.08	8.88	-34.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020283011	1	52	-1.0	-43.21	427.13	8.91	-34.30
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020283012	0	50	-1.0	-42.79	399.16	6.54	-36.25
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020283012	1	50	-1.0	-42.78	399.22	6.55	-36.23
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020283013	0	47	-1.0	-47.19	377.02	6.00	-41.19
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020283013	1	47	-1.0	-47.15	377.08	6.02	-41.13
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC12CC2	REAL300020283014	0	54	-1.0	-43.39	429.14	8.64	-34.75
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC12CC2	REAL300020283014	1	54	-1.0	-43.40	429.18	8.63	-34.77
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020283015	0	54	-1.0	-43.44	430.33	7.98	-35.46
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020283015	1	54	-1.0	-43.45	430.39	8.00	-35.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020283016	0	51	-1.0	-49.22	402.26	7.41	-41.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020283016	1	51	-1.0	-49.28	402.31	7.44	-41.84
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020283017	0	54	-1.0	-48.96	420.44	4.18	-44.78
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020283017	1	54	-1.0	-48.90	420.49	4.20	-44.70
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020283018	0	51	-1.0	-52.53	398.33	3.66	-48.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020283018	1	51	-1.0	-52.51	398.39	3.68	-48.83
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020283019	0	55	-1.0	-41.15	443.09	8.14	-33.01
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020283019	1	55	-1.0	-41.14	443.15	8.16	-32.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020283020	0	52	-1.0	-45.65	417.51	7.41	-38.24
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020283020	1	52	-1.0	-45.67	417.57	7.43	-38.24
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020283021	0	49	-1.0	-44.87	391.92	3.94	-40.93
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020283021	1	49	-1.0	-44.88	391.97	3.95	-40.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020283022	0	46	-1.0	-47.32	372.93	3.33	-43.99
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020283022	1	46	-1.0	-47.31	372.99	3.35	-43.96
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020283023	0	50	-1.0	-45.89	407.57	4.53	-41.36
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020283023	1	50	-1.0	-45.87	407.63	4.55	-41.32
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020283024	0	47	-1.0	-44.88	391.70	3.62	-41.26
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020283024	1	47	-1.0	-44.86	391.75	3.64	-41.22
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020283025	0	53	-1.0	-41.67	424.70	7.02	-34.65
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020283025	1	53	-1.0	-41.72	424.76	7.03	-34.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020283026	0	50	-1.0	-42.02	410.57	6.09	-35.93
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020283026	1	50	-1.0	-41.99	410.64	6.12	-35.87
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020283027	0	59	-1.0	-46.37	455.25	7.53	-38.84
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020283027	1	59	-1.0	-46.32	455.31	7.54	-38.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020283028	0	53	-1.0	-52.02	428.18	3.24	-48.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020283028	1	53	-1.0	-52.04	428.23	3.26	-48.78
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020283029	0	53	-1.0	-43.23	427.76	8.12	-35.11
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020283029	1	53	-1.0	-43.20	427.82	8.14	-35.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020283030	0	50	-1.0	-45.38	410.24	7.48	-37.90
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020283030	1	50	-1.0	-45.38	410.18	7.45	-37.93
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020283031	0	48	-1.0	-44.66	412.65	6.58	-38.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020283031	1	48	-1.0	-44.69	412.71	6.61	-38.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020283032	0	59	-1.0	-49.01	455.03	7.35	-41.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020283032	1	59	-1.0	-49.01	455.09	7.37	-41.64
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C1	REAL300020283033	0	50	-1.0	-46.45	404.67	7.17	-39.28
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C1	REAL300020283033	1	50	-1.0	-46.43	404.72	7.19	-39.24
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C1	REAL300020283034	0	47	-1.0	-49.56	386.67	6.57	-42.99
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C1	REAL300020283034	1	47	-1.0	-49.58	386.72	6.60	-42.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020283035	0	53	-1.0	-49.97	429.88	8.64	-41.33
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020283035	1	53	-1.0	-49.97	429.93	8.65	-41.32
CCCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020283036	0	57	-1.0	-41.78	441.99	8.93	-32.85
CCCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020283036	1	57	-1.0	-41.80	442.04	8.94	-32.86
CCCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020283037	0	54	-1.0	-41.37	429.01	8.16	-33.21
CCCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020283037	1	54	-1.0	-41.34	429.07	8.19	-33.15
C#CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020283038	0	55	-1.0	-45.47	449.56	7.33	-38.14
C#CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020283038	1	55	-1.0	-45.52	449.62	7.34	-38.18
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020283039	0	52	-1.0	-46.84	428.08	6.79	-40.05
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020283039	1	52	-1.0	-46.85	428.14	6.81	-40.04
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020283040	0	53	-1.0	-42.72	410.84	7.55	-35.17
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020283040	1	53	-1.0	-42.70	410.90	7.56	-35.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020283041	0	50	-1.0	-42.14	400.22	6.71	-35.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020283041	1	50	-1.0	-42.09	400.29	6.73	-35.36
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020283042	0	58	-1.0	-42.48	466.33	10.17	-32.31
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020283042	1	58	-1.0	-42.47	466.39	10.19	-32.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020283043	0	49	-1.0	-43.53	414.20	7.74	-35.79
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020283043	1	49	-1.0	-43.57	414.26	7.77	-35.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020283044	0	55	-1.0	-43.36	430.59	8.75	-34.61
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020283044	1	55	-1.0	-43.30	430.63	8.78	-34.52
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020283045	0	52	-1.0	-49.18	419.87	6.47	-42.71
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020283045	1	52	-1.0	-49.15	419.93	6.49	-42.66
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)CC1=O	REAL300020283046	0	52	-1.0	-51.94	428.95	5.50	-46.44
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1=O	REAL300020283046	1	52	-1.0	-51.97	429.00	5.51	-46.46
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1=O	REAL300020283047	0	49	-1.0	-44.82	409.78	5.78	-39.04
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1=O	REAL300020283047	1	49	-1.0	-44.79	409.84	5.80	-38.99
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)C1	REAL300020283048	0	50	-1.0	-42.39	397.92	5.15	-37.24
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)C1	REAL300020283048	1	50	-1.0	-42.44	397.98	5.17	-37.27
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)C1	REAL300020283049	0	47	-1.0	-44.67	376.28	4.37	-40.30
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)C1	REAL300020283049	1	47	-1.0	-44.66	376.34	4.39	-40.27
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)C1	REAL300020283050	0	54	-1.0	-44.03	425.49	7.11	-36.92
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)C1	REAL300020283050	1	54	-1.0	-44.01	425.51	7.11	-36.90
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020283051	0	53	-1.0	-42.49	428.48	8.91	-33.58
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020283051	1	53	-1.0	-42.50	428.53	8.93	-33.57
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020283052	0	50	-1.0	-43.99	406.42	8.11	-35.88
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020283052	1	50	-1.0	-44.02	406.36	8.08	-35.94
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020283053	0	53	-1.0	-47.19	419.40	5.94	-41.25
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020283053	1	53	-1.0	-47.26	419.45	5.96	-41.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020283054	0	50	-1.0	-51.83	392.98	5.26	-46.57
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020283054	1	50	-1.0	-51.86	393.02	5.29	-46.57
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020283055	0	55	-1.0	-42.94	439.07	8.28	-34.66
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020283055	1	55	-1.0	-42.97	439.13	8.30	-34.67
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020283056	0	52	-1.0	-43.61	417.57	7.74	-35.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020283056	1	52	-1.0	-43.61	417.62	7.76	-35.85
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC)CC1	REAL300020283057	0	56	-1.0	-40.73	439.64	6.84	-33.89
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC)CC1	REAL300020283057	1	56	-1.0	-40.72	439.70	6.85	-33.87
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC)CC1	REAL300020283058	0	53	-1.0	-45.31	410.94	6.21	-39.10
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC)CC1	REAL300020283058	1	53	-1.0	-45.37	410.99	6.22	-39.15
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020283059	0	59	-1.0	-43.22	429.64	8.93	-34.29
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020283059	1	59	-1.0	-43.22	429.70	8.94	-34.28
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020283060	0	56	-1.0	-47.51	405.73	8.30	-39.21
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020283060	1	56	-1.0	-47.52	405.78	8.32	-39.20
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020283061	0	53	-1.0	-45.20	428.84	9.10	-36.10
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020283061	1	53	-1.0	-45.18	428.79	9.09	-36.09
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020283062	0	50	-1.0	-44.79	411.90	8.48	-36.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020283062	1	50	-1.0	-44.80	411.84	8.45	-36.35
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020283063	0	53	-1.0	-51.76	423.37	4.77	-46.99
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020283063	1	53	-1.0	-51.78	423.43	4.79	-46.99
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020283064	0	50	-1.0	-50.33	409.89	5.28	-45.05
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020283064	1	50	-1.0	-50.33	409.95	5.30	-45.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020283065	0	50	-1.0	-44.28	422.27	7.28	-37.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020283065	1	50	-1.0	-44.29	422.29	7.31	-36.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020283066	0	54	-1.0	-44.34	423.20	4.41	-39.93
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020283066	1	54	-1.0	-44.32	423.26	4.43	-39.89
CCC=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020283067	0	53	-1.0	-41.95	418.25	8.12	-33.83
CCC=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020283067	1	53	-1.0	-41.95	418.31	8.13	-33.82
CCC=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020283068	0	50	-1.0	-42.71	401.45	7.42	-35.29
CCC=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020283068	1	50	-1.0	-42.72	401.50	7.45	-35.27
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020283069	0	51	-1.0	-51.01	428.66	1.49	-49.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020283069	1	51	-1.0	-51.05	428.72	1.52	-49.53
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020283070	0	56	-1.0	-42.49	443.70	4.86	-37.63
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020283070	1	56	-1.0	-42.48	443.76	4.88	-37.60
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020283071	0	53	-1.0	-43.69	417.43	4.26	-39.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020283071	1	53	-1.0	-43.74	417.49	4.30	-39.44
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020283072	0	52	-1.0	-44.82	420.97	7.69	-37.13
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020283072	1	52	-1.0	-44.86	421.03	7.70	-37.16
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020283073	0	49	-1.0	-43.72	404.69	7.07	-36.65
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020283073	1	49	-1.0	-43.73	404.76	7.10	-36.63
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020283074	0	59	0.0	-66.83	452.21	8.43	-58.40
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020283074	1	59	0.0	-68.71	448.79	8.99	-59.72
C=CCN1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020283074	1	58	-1.0	-41.28	451.61	6.54	-34.74
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020283075	0	56	0.0	-64.10	434.38	7.77	-56.33
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020283075	1	56	0.0	-69.51	427.44	8.36	-61.15
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020283075	1	56	0.0	-64.15	434.44	7.79	-56.36
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020283075	1	56	0.0	-69.50	427.50	8.38	-61.12
C#CCN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C=N1	REAL300020283076	0	48	-1.0	-51.83	409.28	8.30	-43.53
C#CCN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C=N1	REAL300020283076	1	48	-1.0	-51.82	409.22	8.29	-43.53
C#CCN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C=N1	REAL300020283077	0	45	-1.0	-55.63	387.19	7.76	-47.87
C#CCN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C=N1	REAL300020283077	1	45	-1.0	-55.66	387.14	7.75	-47.91
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020283078	0	59	-1.0	-43.51	432.75	8.17	-35.34
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020283078	1	59	-1.0	-43.51	432.81	8.18	-35.33
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020283079	0	56	-1.0	-44.65	416.19	7.53	-37.12
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020283079	1	56	-1.0	-44.64	416.25	7.55	-37.09
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCOC1	REAL300020283080	0	53	-1.0	-44.11	395.43	5.31	-38.80
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCOC1	REAL300020283080	1	53	-1.0	-44.08	395.48	5.33	-38.75
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCOC1	REAL300020283081	0	50	-1.0	-48.29	384.13	4.95	-43.34
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCOC1	REAL300020283081	1	50	-1.0	-48.32	384.19	4.97	-43.35
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020283082	0	59	-1.0	-42.74	444.06	9.19	-33.55
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020283082	1	59	-1.0	-42.71	444.12	9.21	-33.50
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020283083	0	56	-1.0	-43.33	421.02	8.71	-34.62
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020283083	1	56	-1.0	-43.34	421.08	8.73	-34.61
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020283084	0	56	-1.0	-42.65	442.76	9.32	-33.33
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020283084	1	56	-1.0	-42.67	442.82	9.35	-33.32
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020283085	0	49	-1.0	-46.15	423.74	5.93	-40.22
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020283085	1	49	-1.0	-46.19	423.80	5.95	-40.24
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOCCOC	REAL300020283086	0	59	-1.0	-42.68	472.72	5.84	-36.84
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOCCOC	REAL300020283086	1	59	-1.0	-42.73	472.78	5.86	-36.87
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOCCOC	REAL300020283087	0	56	-1.0	-44.27	443.59	4.58	-39.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOCCOC	REAL300020283087	1	56	-1.0	-44.27	443.64	4.61	-39.66
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020283088	0	61	-1.0	-42.21	473.50	7.71	-34.50
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020283088	1	61	-1.0	-42.18	473.55	7.73	-34.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020283089	0	58	-1.0	-42.27	444.35	6.49	-35.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020283089	1	58	-1.0	-42.23	444.42	6.52	-35.71
C=CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020283090	0	53	-1.0	-41.52	422.96	7.96	-33.56
C=CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020283090	1	53	-1.0	-41.53	423.02	7.98	-33.55
C=CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020283091	0	50	-1.0	-42.86	401.46	7.42	-35.44
C=CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020283091	1	50	-1.0	-42.88	401.52	7.45	-35.43
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020283092	0	59	-1.0	-42.03	439.84	7.03	-35.00
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020283092	1	59	-1.0	-42.02	439.90	7.04	-34.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020283093	0	56	-1.0	-42.92	427.95	6.30	-36.62
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020283093	1	56	-1.0	-42.91	428.01	6.33	-36.58
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020283094	0	51	-1.0	-43.17	421.71	4.31	-38.86
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020283094	1	51	-1.0	-43.22	421.77	4.32	-38.90
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020283095	0	48	-1.0	-42.61	394.08	3.64	-38.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020283095	1	48	-1.0	-42.68	394.14	3.66	-39.02
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020283096	0	58	-1.0	-41.79	448.17	6.41	-35.38
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020283096	1	59	0.0	-64.77	446.26	8.58	-56.19
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020283096	1	59	0.0	-62.38	454.88	8.81	-53.57
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020283096	1	58	-1.0	-41.80	448.23	6.42	-35.38
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020283097	0	56	0.0	-65.09	433.81	8.09	-57.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020283097	1	56	0.0	-58.90	433.32	8.01	-50.89
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020283097	1	56	0.0	-65.10	433.86	8.11	-56.99
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020283097	1	56	0.0	-58.91	433.37	8.04	-50.87
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020283097	1	55	-1.0	-41.88	428.81	5.70	-36.18
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020283097	1	55	-1.0	-41.91	428.87	5.72	-36.19
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020283098	0	49	-1.0	-45.87	407.12	7.02	-38.85
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020283098	1	49	-1.0	-45.91	407.17	7.03	-38.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020283099	0	55	-1.0	-43.40	426.28	8.73	-34.67
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020283099	1	55	-1.0	-43.41	426.34	8.75	-34.66
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020283100	0	52	-1.0	-44.50	392.22	6.75	-37.75
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020283100	1	52	-1.0	-44.49	392.27	6.77	-37.72
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020283101	0	49	-1.0	-42.12	391.83	6.67	-35.45
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020283101	1	49	-1.0	-42.13	391.89	6.68	-35.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020283102	0	46	-1.0	-43.61	375.17	6.26	-37.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020283102	1	46	-1.0	-43.63	375.23	6.28	-37.35
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020283103	0	56	-1.0	-45.90	453.30	9.19	-36.71
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020283103	1	56	-1.0	-45.82	453.35	9.22	-36.60
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020283104	0	61	-1.0	-41.00	454.22	8.48	-32.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020283104	1	61	-1.0	-41.01	454.27	8.51	-32.50
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020283105	0	56	-1.0	-42.13	433.52	8.69	-33.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020283105	1	56	-1.0	-42.09	433.58	8.70	-33.39
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020283106	0	53	-1.0	-42.23	415.68	8.03	-34.20
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020283106	1	53	-1.0	-42.22	415.74	8.06	-34.16
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(CC)C1	REAL300020283107	0	56	-1.0	-41.88	428.20	7.07	-34.81
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(CC)C1	REAL300020283107	1	56	-1.0	-41.86	428.26	7.08	-34.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(CC)C1	REAL300020283108	0	53	-1.0	-45.70	405.67	6.52	-39.18
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(CC)C1	REAL300020283108	1	53	-1.0	-45.70	405.72	6.53	-39.17
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020283109	0	53	-1.0	-42.25	420.60	5.99	-36.26
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020283109	1	53	-1.0	-42.23	420.65	6.01	-36.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020283110	0	50	-1.0	-42.02	404.48	5.33	-36.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020283110	1	50	-1.0	-42.07	404.54	5.36	-36.71
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020283111	0	57	-1.0	-48.18	429.90	9.48	-38.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020283111	1	57	-1.0	-48.12	429.96	9.50	-38.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020283112	0	52	-1.0	-43.37	435.68	8.73	-34.64
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020283112	1	52	-1.0	-43.41	435.73	8.76	-34.65
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020283113	0	50	-1.0	-40.60	410.77	6.26	-34.34
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020283113	1	50	-1.0	-40.57	410.83	6.27	-34.30
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020283114	0	47	-1.0	-41.43	389.87	5.53	-35.90
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020283114	1	47	-1.0	-41.40	389.93	5.55	-35.85
C=CCCC1(C#N)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)CC1	REAL300020283115	0	57	-1.0	-50.77	458.28	8.66	-42.11
C=CCCC1(C#N)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)CC1	REAL300020283115	1	57	-1.0	-50.77	458.34	8.68	-42.09
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020283116	0	56	-1.0	-44.54	451.48	9.04	-35.50
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020283116	1	56	-1.0	-44.52	451.42	9.01	-35.51
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020283117	0	59	-1.0	-43.57	433.64	9.58	-33.99
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020283117	1	59	-1.0	-43.56	433.69	9.60	-33.96
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020283118	0	54	-1.0	-45.29	434.85	5.46	-39.83
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020283118	1	54	-1.0	-45.30	434.90	5.47	-39.83
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020283119	0	51	-1.0	-46.60	417.01	4.79	-41.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020283119	1	51	-1.0	-46.61	417.07	4.82	-41.79
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020283120	0	59	-1.0	-41.97	440.22	8.94	-33.03
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020283120	1	59	-1.0	-41.99	440.28	8.96	-33.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020283121	0	56	-1.0	-46.40	420.21	7.97	-38.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020283121	1	56	-1.0	-46.46	420.27	7.99	-38.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020283122	0	51	-1.0	-58.94	417.53	1.58	-57.36
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020283122	1	51	-1.0	-58.97	417.58	1.60	-57.37
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020283123	0	51	-1.0	-45.73	419.17	7.27	-38.46
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020283123	1	51	-1.0	-45.75	419.23	7.28	-38.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020283124	0	48	-1.0	-46.63	397.59	6.48	-40.15
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020283124	1	48	-1.0	-46.58	397.65	6.50	-40.08
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020283125	0	56	-1.0	-42.81	433.70	4.76	-38.05
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020283125	1	56	-1.0	-42.80	433.75	4.77	-38.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020283126	0	53	-1.0	-45.00	411.63	3.97	-41.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020283126	1	53	-1.0	-44.99	411.69	3.99	-41.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020283127	0	57	-1.0	-57.98	424.62	8.01	-49.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020283127	1	57	-1.0	-58.00	424.67	8.02	-49.98
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020283128	0	56	-1.0	-47.92	438.73	3.75	-44.17
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020283128	1	56	-1.0	-47.92	438.79	3.77	-44.15
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020283129	0	53	-1.0	-53.23	415.98	3.11	-50.12
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020283129	1	53	-1.0	-53.27	416.04	3.12	-50.15
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020283130	0	53	-1.0	-41.99	422.46	5.86	-36.13
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020283130	1	53	-1.0	-42.01	422.52	5.88	-36.13
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020283131	0	50	-1.0	-46.93	400.64	5.26	-41.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020283131	1	50	-1.0	-46.97	400.69	5.28	-41.69
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020283132	0	51	-1.0	-43.39	412.95	7.27	-36.12
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020283132	1	51	-1.0	-43.43	413.00	7.28	-36.15
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020283133	0	48	-1.0	-45.63	385.00	6.77	-38.86
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020283133	1	48	-1.0	-45.68	385.06	6.79	-38.89
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020283134	0	56	-1.0	-52.98	439.63	5.30	-47.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020283134	1	56	-1.0	-53.04	439.69	5.33	-47.71
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020283135	0	57	-1.0	-43.18	438.12	3.07	-40.11
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020283135	1	57	-1.0	-43.20	438.18	3.10	-40.10
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020283136	0	53	-1.0	-48.04	414.01	8.76	-39.28
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020283136	1	53	-1.0	-48.01	414.06	8.79	-39.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020283137	0	59	-1.0	-46.98	445.64	5.02	-41.96
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020283137	1	59	-1.0	-47.01	445.70	5.03	-41.98
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020283138	0	55	-1.0	-45.42	442.76	3.62	-41.80
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020283138	1	55	-1.0	-45.47	442.82	3.63	-41.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020283139	0	52	-1.0	-44.19	419.82	3.01	-41.18
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020283139	1	52	-1.0	-44.20	419.88	3.04	-41.16
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020283140	0	50	-1.0	-42.45	406.87	7.71	-34.74
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020283140	1	50	-1.0	-42.49	406.92	7.73	-34.76
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020283141	0	47	-1.0	-45.23	381.88	6.86	-38.37
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020283141	1	47	-1.0	-45.21	381.94	6.89	-38.32
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020283142	0	54	-1.0	-41.97	423.71	6.51	-35.46
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020283142	1	54	-1.0	-41.99	423.77	6.52	-35.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020283143	0	51	-1.0	-45.57	401.77	5.94	-39.63
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020283143	1	51	-1.0	-45.54	401.82	5.96	-39.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020283144	0	59	-1.0	-47.59	427.86	8.89	-38.70
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020283144	1	59	-1.0	-47.61	427.92	8.91	-38.70
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020283145	0	54	-1.0	-46.57	411.42	7.83	-38.74
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020283145	1	54	-1.0	-46.59	411.48	7.86	-38.73
CCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020283146	0	61	-1.0	-41.12	474.44	9.93	-31.19
CCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020283146	1	61	-1.0	-41.12	474.50	9.94	-31.18
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020283147	0	58	-1.0	-43.01	450.02	9.06	-33.95
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020283147	1	58	-1.0	-43.01	450.08	9.09	-33.92
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020283148	0	55	-1.0	-43.45	434.18	7.14	-36.31
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020283148	1	55	-1.0	-43.45	434.24	7.16	-36.29
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020283149	0	57	-1.0	-42.40	445.57	7.55	-34.85
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020283149	1	57	-1.0	-42.41	445.63	7.56	-34.85
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020283150	0	54	-1.0	-42.33	432.47	7.11	-35.22
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020283150	1	54	-1.0	-42.30	432.52	7.13	-35.17
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC)C1	REAL300020283151	0	52	-1.0	-43.66	410.23	7.43	-36.23
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC)C1	REAL300020283151	1	52	-1.0	-43.62	410.29	7.45	-36.17
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC)C1	REAL300020283152	0	49	-1.0	-47.16	391.95	6.89	-40.27
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC)C1	REAL300020283152	1	49	-1.0	-47.14	392.01	6.91	-40.23
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020283153	0	50	-1.0	-42.47	399.36	7.48	-34.99
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020283153	1	50	-1.0	-42.49	399.41	7.50	-34.99
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020283154	0	47	-1.0	-48.80	373.13	6.68	-42.12
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020283154	1	47	-1.0	-48.82	373.19	6.70	-42.12
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020283155	0	54	-1.0	-41.90	425.58	5.98	-35.92
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020283155	1	54	-1.0	-41.91	425.63	6.00	-35.91
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020283156	0	51	-1.0	-42.82	407.82	5.32	-37.50
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020283156	1	51	-1.0	-42.83	407.88	5.35	-37.48
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020283157	0	53	-1.0	-45.47	433.45	5.75	-39.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020283157	1	53	-1.0	-45.49	433.51	5.77	-39.72
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020283158	0	59	-1.0	-44.43	453.45	7.41	-37.02
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020283158	1	59	-1.0	-44.39	453.46	7.43	-36.96
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020283159	0	59	-1.0	-49.57	452.39	7.42	-42.15
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020283159	1	59	-1.0	-49.52	452.45	7.44	-42.08
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020283160	0	53	-1.0	-45.76	429.60	7.58	-38.18
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020283160	1	53	-1.0	-45.71	429.66	7.59	-38.12
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020283161	0	50	-1.0	-44.19	412.91	6.94	-37.25
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020283161	1	50	-1.0	-44.23	412.96	6.97	-37.26
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020283162	0	55	-1.0	-42.95	448.52	10.54	-32.41
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020283162	1	55	-1.0	-42.91	448.57	10.55	-32.36
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020283163	0	52	-1.0	-47.11	427.04	9.78	-37.33
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020283163	1	52	-1.0	-47.08	426.97	9.75	-37.33
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020283164	0	53	-1.0	-44.14	435.71	3.76	-40.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020283164	1	53	-1.0	-44.16	435.77	3.79	-40.37
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020283165	0	49	-1.0	-43.00	420.36	7.97	-35.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020283165	1	49	-1.0	-43.02	420.42	7.99	-35.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020283166	0	54	-1.0	-46.36	428.56	6.63	-39.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020283166	1	54	-1.0	-46.36	428.62	6.65	-39.71
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020283167	0	53	-1.0	-43.19	436.27	7.13	-36.06
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020283167	1	53	-1.0	-43.22	436.33	7.16	-36.06
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020283168	0	55	-1.0	-43.48	437.99	8.38	-35.10
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020283168	1	55	-1.0	-43.47	438.05	8.40	-35.07
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020283169	0	52	-1.0	-48.68	416.20	7.78	-40.90
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020283169	1	52	-1.0	-48.72	416.26	7.80	-40.92
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020283170	0	53	-1.0	-43.14	409.39	8.07	-35.07
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020283170	1	53	-1.0	-43.17	409.44	8.08	-35.09
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020283171	0	50	-1.0	-43.71	408.52	7.63	-36.08
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020283171	1	50	-1.0	-43.77	408.58	7.66	-36.11
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020283172	0	56	-1.0	-42.52	441.84	6.47	-36.05
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020283172	1	56	-1.0	-42.47	441.90	6.49	-35.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020283173	0	53	-1.0	-42.48	424.01	5.82	-36.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020283173	1	53	-1.0	-42.48	424.07	5.84	-36.64
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020283174	0	54	-1.0	-50.60	447.65	8.13	-42.47
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020283174	1	54	-1.0	-50.56	447.71	8.14	-42.42
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020283175	0	51	-1.0	-54.93	425.19	7.48	-47.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020283175	1	51	-1.0	-54.97	425.25	7.49	-47.48
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020283176	0	59	-1.0	-42.74	425.32	10.08	-32.66
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020283176	1	59	-1.0	-42.72	425.38	10.10	-32.62
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020283177	0	56	-1.0	-46.20	417.13	8.42	-37.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020283177	1	56	-1.0	-46.17	417.19	8.44	-37.73
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020283178	0	52	-1.0	-44.28	422.61	6.93	-37.35
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020283178	1	52	-1.0	-44.36	422.67	6.95	-37.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020283179	0	49	-1.0	-53.21	394.26	6.28	-46.93
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020283179	1	49	-1.0	-53.21	394.31	6.30	-46.91
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020283180	0	52	-1.0	-44.28	422.61	6.93	-37.35
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020283180	1	52	-1.0	-44.36	422.67	6.95	-37.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020283181	0	49	-1.0	-53.21	394.26	6.28	-46.93
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020283181	1	49	-1.0	-53.21	394.31	6.30	-46.91
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020283182	0	54	-1.0	-43.84	422.68	3.93	-39.91
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020283182	1	54	-1.0	-43.82	422.74	3.94	-39.88
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020283183	0	51	-1.0	-48.13	400.72	3.32	-44.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020283183	1	51	-1.0	-48.12	400.78	3.34	-44.78
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020283184	0	49	-1.0	-39.87	401.20	6.10	-33.77
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020283184	1	49	-1.0	-39.92	401.26	6.11	-33.81
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020283185	0	46	-1.0	-41.25	379.45	6.22	-35.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020283185	1	46	-1.0	-41.26	379.51	6.25	-35.01
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020283186	0	52	-1.0	-43.88	427.23	7.34	-36.54
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020283186	1	52	-1.0	-43.87	427.29	7.36	-36.51
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020283187	0	57	-1.0	-44.22	446.55	5.22	-39.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020283187	1	57	-1.0	-44.23	446.61	5.24	-38.99
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020283188	0	58	-1.0	-42.69	446.88	7.97	-34.72
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020283188	1	58	-1.0	-42.69	446.94	7.98	-34.71
CCCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020283189	0	55	-1.0	-42.64	427.54	6.91	-35.73
CCCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020283189	1	55	-1.0	-42.61	427.62	6.94	-35.67
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020283190	0	54	-1.0	-42.66	413.16	8.72	-33.94
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020283190	1	54	-1.0	-42.68	413.21	8.74	-33.94
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020283191	0	51	-1.0	-43.11	396.52	7.97	-35.14
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020283191	1	51	-1.0	-43.16	396.58	8.00	-35.16
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020283192	0	51	-1.0	-46.43	422.73	2.10	-44.33
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020283192	1	51	-1.0	-46.44	422.79	2.13	-44.31
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020283193	0	54	-1.0	-47.36	426.34	9.91	-37.45
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020283193	1	54	-1.0	-47.39	426.40	9.92	-37.47
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020283194	0	51	-1.0	-52.61	404.20	9.30	-43.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020283194	1	51	-1.0	-52.58	404.14	9.28	-43.30
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020283195	0	55	-1.0	-45.93	440.87	7.64	-38.29
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020283195	1	55	-1.0	-45.91	440.93	7.65	-38.26
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020283196	0	52	-1.0	-45.10	425.29	6.80	-38.30
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020283196	1	52	-1.0	-45.09	425.35	6.82	-38.27
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020283197	0	49	-1.0	-40.91	397.28	6.74	-34.17
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020283197	1	49	-1.0	-40.89	397.33	6.75	-34.14
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020283198	0	46	-1.0	-45.55	370.48	6.06	-39.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020283198	1	46	-1.0	-45.56	370.54	6.07	-39.49
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020283199	0	55	-1.0	-48.33	424.59	7.45	-40.88
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020283199	1	55	-1.0	-48.28	424.65	7.46	-40.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020283200	0	57	-1.0	-50.85	429.83	6.94	-43.91
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020283200	1	57	-1.0	-50.87	429.89	6.95	-43.92
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020283201	0	54	-1.0	-45.29	430.91	6.27	-39.02
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020283201	1	54	-1.0	-45.32	430.97	6.28	-39.04
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020283202	0	51	-1.0	-51.65	405.08	4.82	-46.83
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020283202	1	51	-1.0	-51.67	405.14	4.84	-46.83
C=C1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020283203	0	50	-1.0	-41.80	400.99	7.20	-34.60
C=C1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020283203	1	50	-1.0	-41.83	401.04	7.22	-34.61
C=C1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)C1	REAL300020283204	0	47	-1.0	-43.61	377.62	6.63	-36.98
C=C1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)C1	REAL300020283204	1	47	-1.0	-43.60	377.68	6.65	-36.95
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCCOCC)C1	REAL300020283205	0	54	-1.0	-43.48	426.11	9.33	-34.15
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCCOCC)C1	REAL300020283205	1	54	-1.0	-43.44	426.12	9.33	-34.11
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020283206	0	51	-1.0	-48.73	421.61	1.95	-46.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020283206	1	51	-1.0	-48.79	421.66	1.96	-46.83
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020283207	0	53	-1.0	-45.34	418.72	6.08	-39.26
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020283207	1	53	-1.0	-45.29	418.78	6.09	-39.20
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020283208	0	50	-1.0	-43.58	406.40	5.48	-38.10
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020283208	1	50	-1.0	-43.53	406.46	5.50	-38.03
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020283209	0	55	-1.0	-43.38	434.56	4.77	-38.61
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020283209	1	55	-1.0	-43.35	434.61	4.79	-38.56
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020283210	0	52	-1.0	-44.43	413.07	3.99	-40.44
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020283210	1	52	-1.0	-44.45	413.13	4.01	-40.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020283211	0	56	-1.0	-42.82	442.08	8.21	-34.61
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020283211	1	56	-1.0	-42.81	442.14	8.24	-34.57
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020283212	0	55	-1.0	-42.29	424.17	8.87	-33.42
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020283212	1	55	-1.0	-42.29	424.23	8.89	-33.40
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020283213	0	52	-1.0	-47.30	410.09	7.78	-39.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020283213	1	52	-1.0	-47.28	410.15	7.80	-39.48
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020283214	0	55	-1.0	-43.10	443.86	7.42	-35.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020283214	1	55	-1.0	-43.08	443.92	7.44	-35.64
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020283215	0	55	-1.0	-43.85	443.83	7.43	-36.42
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020283215	1	55	-1.0	-43.87	443.89	7.45	-36.42
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020283216	0	55	-1.0	-46.75	439.78	7.48	-39.27
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020283216	1	55	-1.0	-46.74	439.84	7.50	-39.24
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020283217	0	52	-1.0	-50.28	426.78	7.24	-43.04
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020283217	1	52	-1.0	-50.25	426.85	7.27	-42.98
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020283218	0	56	-1.0	-42.63	432.93	5.59	-37.04
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020283218	1	56	-1.0	-42.63	432.99	5.60	-37.03
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020283219	0	53	-1.0	-43.40	410.49	5.95	-37.45
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020283219	1	53	-1.0	-43.40	410.55	5.98	-37.42
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C	REAL300020283220	0	49	-1.0	-41.35	388.27	5.86	-35.49
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C	REAL300020283220	1	49	-1.0	-41.39	388.33	5.88	-35.51
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C	REAL300020283221	0	46	-1.0	-48.92	364.31	6.10	-42.82
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C	REAL300020283221	1	46	-1.0	-48.92	364.37	6.12	-42.80
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020283222	0	53	-1.0	-42.66	412.72	7.80	-34.86
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020283222	1	53	-1.0	-42.63	412.68	7.79	-34.84
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020283223	0	53	-1.0	-41.83	425.50	5.83	-36.00
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020283223	1	53	-1.0	-41.84	425.55	5.84	-36.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020283224	0	50	-1.0	-41.90	402.96	5.35	-36.55
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020283224	1	50	-1.0	-41.92	403.02	5.38	-36.54
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020283225	0	54	-1.0	-46.27	413.61	7.61	-38.66
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020283225	1	54	-1.0	-46.26	413.67	7.63	-38.63
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020283226	0	53	-1.0	-50.86	418.29	3.89	-46.97
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020283226	1	53	-1.0	-50.88	418.34	3.91	-46.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020283227	0	50	-1.0	-58.43	396.53	2.61	-55.82
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020283227	1	50	-1.0	-58.46	396.58	2.63	-55.83
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020283228	0	51	-1.0	-47.84	410.29	2.05	-45.79
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020283228	1	51	-1.0	-47.84	410.35	2.06	-45.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020283229	0	48	-1.0	-47.27	388.80	1.27	-46.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020283229	1	48	-1.0	-47.30	388.86	1.29	-46.01
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020283230	0	53	-1.0	-42.35	424.14	8.44	-33.91
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020283230	1	53	-1.0	-42.33	424.19	8.45	-33.88
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020283231	0	50	-1.0	-46.69	402.69	7.84	-38.85
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020283231	1	50	-1.0	-46.70	402.75	7.86	-38.84
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020283232	0	61	0.0	-64.92	455.62	8.15	-56.77
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020283232	1	61	0.0	-64.95	455.85	8.16	-56.79
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020283232	1	61	0.0	-64.93	455.68	8.17	-56.76
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020283232	1	61	0.0	-65.00	455.91	8.18	-56.82
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020283233	0	53	-1.0	-50.00	427.15	10.78	-39.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020283233	1	53	-1.0	-49.99	427.09	10.76	-39.23
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020283234	0	55	-1.0	-43.32	436.79	7.23	-36.09
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020283234	1	55	-1.0	-43.32	436.84	7.24	-36.08
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020283235	0	52	-1.0	-43.32	417.51	6.70	-36.62
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020283235	1	52	-1.0	-43.32	417.55	6.73	-36.59
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020283236	0	61	-1.0	-41.07	439.48	8.42	-32.65
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020283236	1	61	-1.0	-41.08	439.54	8.43	-32.65
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020283237	0	58	-1.0	-46.58	428.38	9.27	-37.31
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020283237	1	58	-1.0	-46.56	428.44	9.29	-37.27
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020283238	0	53	-1.0	-42.24	410.89	7.69	-34.55
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020283238	1	53	-1.0	-42.26	410.95	7.70	-34.56
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020283239	0	50	-1.0	-44.24	389.92	6.86	-37.38
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020283239	1	50	-1.0	-44.21	389.98	6.89	-37.32
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020283240	0	50	-1.0	-41.71	391.64	5.50	-36.21
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020283240	1	50	-1.0	-41.69	391.70	5.52	-36.17
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020283241	0	47	-1.0	-45.09	381.09	5.49	-39.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020283241	1	47	-1.0	-45.10	381.15	5.51	-39.59
C#CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCCOCC	REAL300020283242	0	47	-1.0	-43.47	389.35	7.02	-36.45
C#CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCCOCC	REAL300020283242	1	47	-1.0	-43.45	389.40	7.04	-36.41
C#CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCCOCC	REAL300020283243	0	44	-1.0	-43.00	375.14	6.15	-36.85
C#CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCCOCC	REAL300020283243	1	44	-1.0	-43.02	375.19	6.17	-36.85
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCCOCC	REAL300020283244	0	51	-1.0	-44.18	424.84	8.92	-35.26
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCCOCC	REAL300020283244	1	51	-1.0	-44.17	424.90	8.92	-35.25
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020283245	0	50	-1.0	-47.58	392.05	6.16	-41.42
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020283245	1	50	-1.0	-47.65	392.12	6.18	-41.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020283246	0	47	-1.0	-55.02	365.52	5.43	-49.59
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020283246	1	47	-1.0	-55.03	365.58	5.46	-49.57
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020283247	0	59	-1.0	-41.34	450.33	9.43	-31.91
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020283247	1	59	-1.0	-41.36	450.39	9.45	-31.91
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020283248	0	56	-1.0	-41.65	428.83	8.64	-33.01
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020283248	1	56	-1.0	-41.62	428.89	8.67	-32.95
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020283249	0	55	-1.0	-45.08	437.99	8.35	-36.73
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020283249	1	55	-1.0	-45.09	438.05	8.37	-36.72
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020283250	0	52	-1.0	-45.90	420.78	7.50	-38.40
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020283250	1	52	-1.0	-45.93	420.83	7.53	-38.40
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020283251	0	58	-1.0	-42.58	460.37	9.13	-33.45
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020283251	1	58	-1.0	-42.54	460.42	9.15	-33.39
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020283252	0	55	-1.0	-44.18	434.10	8.53	-35.65
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020283252	1	55	-1.0	-44.17	434.16	8.55	-35.62
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020283253	0	53	-1.0	-46.17	425.33	3.73	-42.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020283253	1	53	-1.0	-46.22	425.39	3.75	-42.47
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020283254	0	50	-1.0	-53.25	402.85	3.09	-50.16
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020283254	1	50	-1.0	-53.20	402.91	3.10	-50.10
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020283255	0	53	-1.0	-46.60	424.87	4.37	-42.23
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020283255	1	53	-1.0	-46.59	424.92	4.38	-42.21
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020283256	0	50	-1.0	-46.91	407.69	3.51	-43.40
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020283256	1	50	-1.0	-46.89	407.74	3.53	-43.36
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020283257	0	53	-1.0	-52.36	428.22	6.92	-45.44
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020283257	1	53	-1.0	-52.35	428.27	6.93	-45.42
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020283258	0	53	-1.0	-43.78	421.36	6.02	-37.76
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020283258	1	53	-1.0	-43.79	421.41	6.04	-37.75
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020283259	0	50	-1.0	-46.86	395.35	5.30	-41.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020283259	1	50	-1.0	-46.89	395.39	5.31	-41.58
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020283260	0	53	-1.0	-42.82	433.07	7.54	-35.28
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020283260	1	53	-1.0	-42.85	433.13	7.56	-35.29
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020283261	0	50	-1.0	-46.40	413.58	6.71	-39.69
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020283261	1	50	-1.0	-46.40	413.63	6.72	-39.68
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](CC)C1	REAL300020283262	0	53	-1.0	-41.62	425.27	6.33	-35.29
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](CC)C1	REAL300020283262	1	53	-1.0	-41.56	425.33	6.34	-35.22
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](CC)C1	REAL300020283263	0	50	-1.0	-42.49	400.74	5.45	-37.04
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](CC)C1	REAL300020283263	1	50	-1.0	-42.52	400.81	5.47	-37.05
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC)C1	REAL300020283264	0	53	-1.0	-42.87	424.85	6.14	-36.73
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC)C1	REAL300020283264	1	53	-1.0	-42.87	424.91	6.15	-36.72
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC)C1	REAL300020283265	0	50	-1.0	-44.19	403.87	5.16	-39.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC)C1	REAL300020283265	1	50	-1.0	-44.20	403.93	5.18	-39.02
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020283266	0	54	-1.0	-42.53	435.00	4.44	-38.09
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020283266	1	54	-1.0	-42.51	435.06	4.45	-38.06
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020283267	0	51	-1.0	-46.47	413.36	3.80	-42.67
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020283267	1	51	-1.0	-46.44	413.41	3.82	-42.62
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](COC)C1	REAL300020283268	0	54	-1.0	-42.34	435.59	4.67	-37.67
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](COC)C1	REAL300020283268	1	54	-1.0	-42.31	435.65	4.68	-37.63
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](COC)C1	REAL300020283269	0	51	-1.0	-43.33	413.61	3.87	-39.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](COC)C1	REAL300020283269	1	51	-1.0	-43.34	413.67	3.89	-39.45
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020283270	0	55	-1.0	-41.61	439.98	6.92	-34.69
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020283270	1	55	-1.0	-41.60	440.04	6.93	-34.67
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020283271	0	52	-1.0	-43.13	418.48	6.13	-37.00
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020283271	1	52	-1.0	-43.11	418.53	6.16	-36.95
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CC1(C)C	REAL300020283272	0	50	-1.0	-42.16	394.45	6.36	-35.80
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CC1(C)C	REAL300020283272	1	50	-1.0	-42.15	394.51	6.38	-35.77
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CC1(C)C	REAL300020283273	0	47	-1.0	-46.28	377.38	5.34	-40.94
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CC1(C)C	REAL300020283273	1	47	-1.0	-46.30	377.33	5.31	-40.99
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020283274	0	54	-1.0	-42.92	425.71	8.39	-34.53
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020283274	1	54	-1.0	-42.87	425.76	8.38	-34.49
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020283275	0	52	-1.0	-45.88	414.41	2.89	-42.99
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020283275	1	52	-1.0	-45.80	414.47	2.92	-42.88
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020283276	0	52	-1.0	-51.44	420.21	3.01	-48.43
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020283276	1	52	-1.0	-51.44	420.27	3.03	-48.41
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020283277	0	49	-1.0	-51.40	402.38	2.33	-49.07
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020283277	1	49	-1.0	-51.44	402.43	2.36	-49.08
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C	REAL300020283278	0	49	-1.0	-41.81	395.05	6.78	-35.03
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C	REAL300020283278	1	49	-1.0	-41.80	395.11	6.80	-35.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C	REAL300020283279	0	46	-1.0	-47.88	359.21	5.42	-42.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C	REAL300020283279	1	46	-1.0	-47.86	359.27	5.43	-42.43
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020283280	0	53	-1.0	-43.51	416.72	8.89	-34.62
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020283280	1	53	-1.0	-43.46	416.75	8.88	-34.58
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C	REAL300020283281	0	49	-1.0	-41.81	395.05	6.78	-35.03
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C	REAL300020283281	1	49	-1.0	-41.80	395.11	6.80	-35.00
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C	REAL300020283282	0	46	-1.0	-47.88	359.21	5.42	-42.46
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C	REAL300020283282	1	46	-1.0	-47.86	359.27	5.43	-42.43
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020283283	0	53	-1.0	-43.51	416.72	8.89	-34.62
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020283283	1	53	-1.0	-43.46	416.75	8.88	-34.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020283284	0	53	-1.0	-43.66	417.33	8.06	-35.60
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020283284	1	53	-1.0	-43.64	417.41	8.08	-35.56
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020283285	0	55	-1.0	-52.64	447.39	5.84	-46.80
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020283285	1	55	-1.0	-52.68	447.45	5.85	-46.83
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020283286	0	55	-1.0	-49.73	447.47	5.87	-43.86
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020283286	1	55	-1.0	-49.72	447.52	5.90	-43.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020283287	0	54	-1.0	-42.77	422.95	6.05	-36.72
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020283287	1	54	-1.0	-42.80	423.01	6.08	-36.72
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020283288	0	55	-1.0	-44.78	435.08	7.04	-37.74
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020283288	1	55	-1.0	-44.75	435.14	7.06	-37.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020283289	0	52	-1.0	-45.61	417.30	6.40	-39.21
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020283289	1	52	-1.0	-45.62	417.36	6.42	-39.20
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CCOCC1	REAL300020283290	0	59	-1.0	-42.85	463.11	7.02	-35.83
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CCOCC1	REAL300020283290	1	59	-1.0	-42.85	463.16	7.03	-35.82
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CCOCC1	REAL300020283291	0	56	-1.0	-43.56	441.61	6.23	-37.33
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CCOCC1	REAL300020283291	1	56	-1.0	-43.57	441.67	6.26	-37.31
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020283292	0	51	-1.0	-44.61	435.85	6.37	-38.24
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020283292	1	51	-1.0	-44.58	435.91	6.39	-38.19
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020283293	0	57	-1.0	-44.24	432.80	6.80	-37.44
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020283293	1	57	-1.0	-44.25	432.86	6.81	-37.44
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020283294	0	54	-1.0	-45.75	411.30	6.01	-39.74
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020283294	1	54	-1.0	-45.78	411.35	6.04	-39.74
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020283295	0	46	-1.0	-41.02	390.74	6.46	-34.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020283295	1	46	-1.0	-41.02	390.80	6.49	-34.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020283296	0	57	-1.0	-44.11	426.25	4.75	-39.36
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020283296	1	57	-1.0	-44.16	426.30	4.78	-39.38
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCCOCC)=N1	REAL300020283297	0	52	-1.0	-45.31	429.63	9.68	-35.63
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCCOCC)=N1	REAL300020283297	1	52	-1.0	-45.35	429.57	9.67	-35.68
CCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCCOCC)=N1	REAL300020283298	0	49	-1.0	-46.26	408.11	8.92	-37.34
CCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCCOCC)=N1	REAL300020283298	1	49	-1.0	-46.32	408.06	8.89	-37.43
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020283299	0	54	-1.0	-48.30	432.49	6.49	-41.81
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020283299	1	54	-1.0	-48.29	432.55	6.51	-41.78
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020283300	0	51	-1.0	-44.02	397.16	7.19	-36.83
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020283300	1	51	-1.0	-44.00	397.22	7.20	-36.80
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020283301	0	48	-1.0	-49.32	374.00	6.64	-42.68
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020283301	1	48	-1.0	-49.34	374.05	6.65	-42.69
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020283302	0	54	-1.0	-47.63	420.50	10.46	-37.17
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020283302	1	54	-1.0	-47.65	420.56	10.49	-37.16
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020283303	0	55	-1.0	-41.25	434.87	6.68	-34.57
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020283303	1	55	-1.0	-41.22	434.93	6.69	-34.53
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020283304	0	52	-1.0	-42.55	408.01	6.03	-36.52
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020283304	1	52	-1.0	-42.55	408.06	6.05	-36.50
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020283305	0	54	-1.0	-41.64	411.92	4.09	-37.55
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020283305	1	54	-1.0	-41.67	411.97	4.11	-37.56
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020283306	0	51	-1.0	-42.28	390.43	3.31	-38.97
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020283306	1	51	-1.0	-42.29	390.47	3.33	-38.96
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020283307	0	54	-1.0	-41.10	427.84	8.54	-32.56
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020283307	1	54	-1.0	-41.13	427.90	8.55	-32.58
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020283308	0	51	-1.0	-42.21	410.07	7.85	-34.36
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020283308	1	51	-1.0	-42.17	410.13	7.87	-34.30
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020283309	0	56	-1.0	-43.21	449.98	9.74	-33.47
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020283309	1	56	-1.0	-43.21	450.04	9.76	-33.45
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020283310	0	53	-1.0	-43.47	436.41	9.25	-34.22
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020283310	1	53	-1.0	-43.46	436.46	9.27	-34.19
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020283311	0	56	-1.0	-43.46	430.73	8.49	-34.97
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020283311	1	56	-1.0	-43.45	430.79	8.51	-34.94
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020283312	0	53	-1.0	-44.13	411.36	7.76	-36.37
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020283312	1	53	-1.0	-44.12	411.42	7.78	-36.34
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(O)CC	REAL300020283313	0	55	-1.0	-42.30	426.76	4.23	-38.07
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(O)CC	REAL300020283313	1	55	-1.0	-42.35	426.82	4.24	-38.11
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(O)CC	REAL300020283314	0	52	-1.0	-43.30	407.58	3.57	-39.73
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(O)CC	REAL300020283314	1	52	-1.0	-43.30	407.64	3.59	-39.71
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCCCO	REAL300020283315	0	55	-1.0	-44.89	433.03	3.75	-41.14
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCCCO	REAL300020283315	1	55	-1.0	-44.92	433.09	3.77	-41.15
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCCCO	REAL300020283316	0	52	-1.0	-46.40	411.59	2.97	-43.43
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCCCO	REAL300020283316	1	52	-1.0	-46.43	411.65	2.99	-43.44
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020283317	0	54	-1.0	-49.23	440.56	10.04	-39.19
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020283317	1	54	-1.0	-49.20	440.50	10.01	-39.19
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020283318	0	51	-1.0	-43.69	415.76	5.89	-37.80
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020283318	1	51	-1.0	-43.68	415.81	5.90	-37.78
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020283319	0	48	-1.0	-45.01	398.02	5.24	-39.77
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020283319	1	48	-1.0	-45.05	398.08	5.26	-39.79
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020283320	0	54	-1.0	-51.32	435.24	6.56	-44.76
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020283320	1	54	-1.0	-51.32	435.30	6.59	-44.73
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020283321	0	55	-1.0	-48.17	447.67	7.63	-40.54
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020283321	1	55	-1.0	-48.19	447.73	7.65	-40.54
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020283322	0	47	-1.0	-45.63	395.10	1.60	-44.03
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020283322	1	47	-1.0	-45.60	395.15	1.62	-43.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020283323	0	52	-1.0	-42.10	420.17	3.54	-38.56
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020283323	1	52	-1.0	-42.08	420.22	3.56	-38.52
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020283324	0	50	-1.0	-41.24	400.47	8.03	-33.21
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020283324	1	50	-1.0	-41.24	400.53	8.05	-33.19
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020283325	0	47	-1.0	-41.34	383.31	7.17	-34.17
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020283325	1	47	-1.0	-41.34	383.37	7.19	-34.15
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020283326	0	48	-1.0	-46.91	376.52	3.96	-42.95
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020283326	1	48	-1.0	-46.95	376.57	3.98	-42.97
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020283327	0	45	-1.0	-51.85	354.64	3.36	-48.49
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020283327	1	45	-1.0	-51.85	354.70	3.37	-48.48
CCOCCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020283328	0	52	-1.0	-46.27	406.69	6.40	-39.87
CCOCCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020283328	1	52	-1.0	-46.22	406.72	6.39	-39.83
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020283329	0	53	-1.0	-50.62	424.21	2.27	-48.35
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020283329	1	53	-1.0	-50.59	424.27	2.30	-48.29
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020283330	0	52	-1.0	-43.80	430.83	7.02	-36.78
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020283330	1	52	-1.0	-43.78	430.88	7.05	-36.73
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020283331	0	55	-1.0	-45.33	449.45	10.46	-34.87
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020283331	1	55	-1.0	-45.31	449.39	10.44	-34.87
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020283332	0	52	-1.0	-45.97	423.40	9.72	-36.25
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020283332	1	52	-1.0	-45.96	423.35	9.70	-36.26
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020283333	0	56	-1.0	-52.13	444.45	5.11	-47.02
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020283333	1	56	-1.0	-52.10	444.50	5.12	-46.98
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020283334	0	53	-1.0	-56.61	426.45	4.51	-52.10
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020283334	1	53	-1.0	-56.59	426.51	4.53	-52.06
CCOCCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020283335	0	52	-1.0	-42.99	401.66	4.47	-38.52
CCOCCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020283335	1	52	-1.0	-43.01	401.71	4.49	-38.52
CCOCCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020283336	0	49	-1.0	-42.64	386.65	3.85	-38.79
CCOCCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020283336	1	49	-1.0	-42.63	386.71	3.87	-38.76
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020283337	0	48	-1.0	-39.64	386.90	8.81	-30.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020283337	1	48	-1.0	-39.65	386.96	8.83	-30.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020283338	0	45	-1.0	-45.81	351.85	8.41	-37.40
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020283338	1	45	-1.0	-45.78	351.80	8.41	-37.37
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020283339	0	52	-1.0	-42.07	406.01	10.92	-31.15
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020283339	1	52	-1.0	-42.05	406.07	10.90	-31.15
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283340	0	54	-1.0	-42.62	414.82	9.29	-33.33
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283340	1	54	-1.0	-42.65	414.90	9.30	-33.35
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283341	0	51	-1.0	-44.98	396.99	9.22	-35.76
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283341	1	51	-1.0	-44.96	396.92	9.19	-35.77
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020283342	0	49	-1.0	-42.51	407.79	8.90	-33.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020283342	1	49	-1.0	-42.51	407.74	8.87	-33.64
COCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283343	0	58	-1.0	-43.68	459.29	8.91	-34.77
COCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283343	1	58	-1.0	-43.71	459.34	8.92	-34.79
COCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283344	0	55	-1.0	-46.23	422.54	7.72	-38.51
COCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283344	1	55	-1.0	-46.18	422.61	7.74	-38.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020283345	0	58	0.0	-70.67	422.55	10.39	-60.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020283345	1	58	0.0	-69.08	434.63	10.87	-58.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020283345	1	58	0.0	-70.73	422.61	10.41	-60.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020283345	1	58	0.0	-69.06	434.69	10.90	-58.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020283346	0	53	-1.0	-45.99	424.67	7.16	-38.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020283346	1	53	-1.0	-46.02	424.72	7.17	-38.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020283347	0	50	-1.0	-46.95	396.13	6.47	-40.48
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020283347	1	50	-1.0	-46.97	396.19	6.49	-40.48
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020283348	0	51	-1.0	-40.46	386.81	7.58	-32.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020283348	1	51	-1.0	-40.50	386.87	7.60	-32.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020283349	0	48	-1.0	-42.81	358.88	7.45	-35.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020283349	1	48	-1.0	-42.80	358.95	7.47	-35.33
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCCC1	REAL300020283350	0	55	-1.0	-41.14	409.95	10.10	-31.04
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCCC1	REAL300020283350	1	55	-1.0	-41.06	409.99	10.09	-30.97
CCSC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020283351	0	55	-1.0	-44.06	425.59	9.72	-34.34
CCSC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020283351	1	55	-1.0	-44.06	425.65	9.74	-34.32
CCSC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020283352	0	52	-1.0	-50.43	401.59	9.13	-41.30
CCSC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020283352	1	52	-1.0	-50.40	401.83	9.14	-41.26
CCSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283353	0	54	-1.0	-40.13	418.25	9.57	-30.56
CCSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283353	1	54	-1.0	-40.16	418.30	9.59	-30.57
CCSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283354	0	51	-1.0	-41.30	404.12	8.80	-32.50
CCSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283354	1	51	-1.0	-41.30	404.19	8.83	-32.47
CCCCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1(C)C	REAL300020283355	0	61	-1.0	-41.25	460.42	9.21	-32.04
CCCCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1(C)C	REAL300020283355	1	61	-1.0	-41.23	460.47	9.23	-32.00
CC1=CC=C(C2CC(C)N(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C2)C=C1	REAL300020283356	0	58	-1.0	-42.81	421.90	10.16	-32.65
CC1=CC=C(C2CC(C)N(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C2)C=C1	REAL300020283356	1	58	-1.0	-42.82	421.96	10.17	-32.65
CC1=CC=C(C2CC(C)N(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)C=C1	REAL300020283357	0	55	-1.0	-42.89	424.46	10.39	-32.50
CC1=CC=C(C2CC(C)N(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)C=C1	REAL300020283357	1	55	-1.0	-42.91	424.52	10.41	-32.50
CC1=CC(F)=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020283358	0	52	-1.0	-39.49	411.64	9.97	-29.52
CC1=CC(F)=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020283358	1	52	-1.0	-39.50	411.69	9.99	-29.51
CC1=CC(F)=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020283359	0	49	-1.0	-48.16	374.21	8.20	-39.96
CC1=CC(F)=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020283359	1	49	-1.0	-48.17	374.15	8.19	-39.98
CCCOC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020283360	0	56	-1.0	-43.36	437.34	9.84	-33.52
CCCOC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020283360	1	56	-1.0	-43.36	437.40	9.87	-33.49
C#CCN1C=CC(CN(CCOC)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020283361	0	54	-1.0	-47.06	446.94	6.75	-40.31
C#CCN1C=CC(CN(CCOC)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020283361	1	54	-1.0	-47.13	447.00	6.78	-40.35
COCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CCC(C)C1	REAL300020283362	0	58	-1.0	-40.94	433.79	7.22	-33.72
COCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CCC(C)C1	REAL300020283362	1	58	-1.0	-40.93	433.85	7.23	-33.70
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CCC(C)C1	REAL300020283363	0	55	-1.0	-47.16	399.38	7.27	-39.89
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCC(C)C1	REAL300020283363	1	55	-1.0	-47.15	399.45	7.28	-39.87
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283364	0	53	-1.0	-40.12	400.56	7.96	-32.16
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283364	1	53	-1.0	-40.09	400.62	7.97	-32.12
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283365	0	50	-1.0	-46.14	367.91	7.76	-38.38
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283365	1	50	-1.0	-46.14	367.96	7.76	-38.38
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283366	0	57	-1.0	-42.02	427.32	10.00	-32.02
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283366	1	57	-1.0	-41.97	427.40	10.00	-31.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020283367	0	52	-1.0	-39.46	398.56	9.49	-29.97
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020283367	1	52	-1.0	-39.47	398.62	9.51	-29.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020283368	0	49	-1.0	-48.38	368.18	8.89	-39.49
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020283368	1	49	-1.0	-48.36	368.14	8.87	-39.49
COC1=CC=C(C(C)N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283369	0	55	-1.0	-40.70	433.24	8.28	-32.42
COC1=CC=C(C(C)N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283369	1	55	-1.0	-40.71	433.30	8.30	-32.41
COC1=CC=C(C(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283370	0	52	-1.0	-46.46	399.71	8.21	-38.25
COC1=CC=C(C(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283370	1	52	-1.0	-46.51	399.60	8.20	-38.31
CC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283371	0	55	-1.0	-39.68	415.08	9.58	-30.10
CC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283371	1	55	-1.0	-39.66	415.13	9.59	-30.07
CC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283372	0	52	-1.0	-48.51	397.68	10.44	-38.07
CC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283372	1	52	-1.0	-48.45	397.63	10.44	-38.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020283373	0	54	-1.0	-41.16	433.40	9.78	-31.38
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020283373	1	54	-1.0	-41.17	433.46	9.79	-31.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020283374	0	51	-1.0	-42.69	411.97	8.52	-34.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020283374	1	51	-1.0	-42.67	411.92	8.50	-34.17
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020283375	0	51	-1.0	-42.53	391.66	6.19	-36.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020283375	1	51	-1.0	-42.55	391.72	6.21	-36.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020283376	0	48	-1.0	-43.65	374.32	5.44	-38.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020283376	1	48	-1.0	-43.62	374.37	5.46	-38.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020283377	0	43	-1.0	-38.97	350.45	6.86	-32.11
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020283377	1	43	-1.0	-38.94	350.51	6.87	-32.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020283378	0	40	-1.0	-42.78	321.61	6.58	-36.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020283378	1	40	-1.0	-42.77	321.55	6.56	-36.21
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1	REAL300020283379	0	47	-1.0	-41.77	381.03	9.23	-32.54
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1	REAL300020283379	1	47	-1.0	-41.75	381.09	9.22	-32.53
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C(C)C	REAL300020283380	0	47	-1.0	-41.07	359.15	6.07	-35.00
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C(C)C	REAL300020283380	1	47	-1.0	-41.05	359.20	6.08	-34.97
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C)C(C)C	REAL300020283381	0	51	-1.0	-42.93	381.96	8.05	-34.88
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C)C(C)C	REAL300020283381	1	51	-1.0	-42.90	382.01	8.04	-34.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020283382	0	50	-1.0	-45.38	407.12	10.68	-34.70
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020283382	1	50	-1.0	-45.39	407.17	10.69	-34.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020283383	0	49	-1.0	-41.77	381.95	4.43	-37.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020283383	1	49	-1.0	-41.79	382.01	4.45	-37.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020283384	0	46	-1.0	-44.37	355.23	3.81	-40.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020283384	1	46	-1.0	-44.40	355.29	3.83	-40.57
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020283385	0	53	-1.0	-44.04	408.34	6.70	-37.34
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020283385	1	53	-1.0	-44.00	408.39	6.68	-37.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020283386	0	51	-1.0	-39.84	392.91	8.31	-31.53
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020283386	1	51	-1.0	-39.85	392.97	8.33	-31.52
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020283387	0	48	-1.0	-41.26	371.52	7.54	-33.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020283387	1	48	-1.0	-41.25	371.46	7.52	-33.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020283388	0	56	-1.0	-47.68	423.77	9.75	-37.93
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020283388	1	56	-1.0	-47.65	423.83	9.77	-37.88
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020283389	0	53	-1.0	-42.78	410.43	7.17	-35.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020283389	1	53	-1.0	-42.78	410.49	7.19	-35.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020283390	0	50	-1.0	-43.44	398.64	6.07	-37.37
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020283390	1	50	-1.0	-43.47	398.70	6.09	-37.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020283391	0	51	-1.0	-42.89	397.44	9.08	-33.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020283391	1	51	-1.0	-42.93	397.50	9.10	-33.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020283392	0	48	-1.0	-46.06	384.38	8.20	-37.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020283392	1	48	-1.0	-46.02	384.32	8.17	-37.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020283393	0	56	-1.0	-41.50	423.51	10.56	-30.94
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020283393	1	56	-1.0	-41.51	423.57	10.58	-30.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020283394	0	53	-1.0	-40.08	398.67	7.86	-32.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020283394	1	53	-1.0	-40.14	398.73	7.87	-32.27
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020283395	0	50	-1.0	-42.42	383.69	6.22	-36.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020283395	1	50	-1.0	-42.42	383.74	6.25	-36.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020283396	0	49	-1.0	-40.82	412.69	10.04	-30.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020283396	1	49	-1.0	-40.86	412.75	10.07	-30.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020283397	0	49	-1.0	-41.65	398.20	9.42	-32.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020283397	1	49	-1.0	-41.64	398.26	9.44	-32.20
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020283398	0	52	-1.0	-40.33	426.03	10.16	-30.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020283398	1	52	-1.0	-40.33	426.08	10.18	-30.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020283399	0	49	-1.0	-42.22	404.27	9.52	-32.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020283399	1	49	-1.0	-42.23	404.17	9.50	-32.73
COC1=CC=CC=C1CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CC1	REAL300020283400	0	56	-1.0	-41.77	436.87	9.62	-32.15
COC1=CC=CC=C1CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CC1	REAL300020283400	1	56	-1.0	-41.76	436.93	9.63	-32.13
COC1=CC=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CC1	REAL300020283401	0	53	-1.0	-44.56	415.39	8.86	-35.70
COC1=CC=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CC1	REAL300020283401	1	53	-1.0	-44.57	415.33	8.83	-35.74
CCC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C2CC2)C=C1	REAL300020283402	0	58	-1.0	-39.46	453.66	11.56	-27.90
CCC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C2CC2)C=C1	REAL300020283402	1	58	-1.0	-39.37	453.71	11.57	-27.80
CCC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C2CC2)C=C1	REAL300020283403	0	55	-1.0	-41.78	438.79	10.96	-30.82
CCC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C2CC2)C=C1	REAL300020283403	1	55	-1.0	-41.72	438.84	10.98	-30.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020283404	0	49	-1.0	-40.74	384.23	9.06	-31.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020283404	1	49	-1.0	-40.75	384.29	9.07	-31.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020283405	0	46	-1.0	-46.49	372.48	8.06	-38.43
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020283405	1	46	-1.0	-46.48	372.46	8.05	-38.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020283406	0	51	-1.0	-41.08	411.33	10.01	-31.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020283406	1	51	-1.0	-41.05	411.38	10.03	-31.02
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020283407	0	48	-1.0	-47.82	387.27	9.40	-38.42
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020283407	1	48	-1.0	-47.77	387.32	9.41	-38.36
CCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283408	0	57	-1.0	-40.43	415.38	8.50	-31.93
CCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283408	1	57	-1.0	-40.44	415.43	8.51	-31.93
CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283409	0	54	-1.0	-48.62	389.64	8.37	-40.25
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283409	1	54	-1.0	-48.58	389.33	8.40	-40.18
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020283410	0	54	-1.0	-40.37	395.84	9.03	-31.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020283410	1	54	-1.0	-40.37	395.90	9.05	-31.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020283411	0	51	-1.0	-41.93	374.34	8.24	-33.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020283411	1	51	-1.0	-41.93	374.40	8.26	-33.67
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC(C)C1	REAL300020283412	0	58	-1.0	-42.24	435.74	10.87	-31.37
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC(C)C1	REAL300020283412	1	58	-1.0	-42.18	435.83	10.84	-31.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020283413	0	51	-1.0	-39.15	420.48	9.50	-29.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020283413	1	51	-1.0	-39.14	420.54	9.52	-29.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020283414	0	48	-1.0	-41.22	399.15	8.72	-32.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020283414	1	48	-1.0	-41.17	399.22	8.74	-32.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020283415	0	48	-1.0	-39.94	374.12	7.74	-32.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020283415	1	48	-1.0	-39.94	374.18	7.76	-32.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020283416	0	45	-1.0	-45.81	346.38	7.15	-38.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020283416	1	45	-1.0	-45.72	346.30	7.14	-38.58
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020283417	0	52	-1.0	-41.83	404.30	9.56	-32.27
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020283417	1	52	-1.0	-41.85	404.28	9.55	-32.30
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C	REAL300020283418	0	48	-1.0	-41.98	357.37	7.64	-34.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C	REAL300020283418	1	48	-1.0	-41.99	357.43	7.66	-34.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C	REAL300020283419	0	45	-1.0	-41.93	340.63	5.88	-36.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C	REAL300020283419	1	45	-1.0	-41.86	340.57	5.86	-36.00
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020283420	0	52	-1.0	-43.04	386.74	9.66	-33.38
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020283420	1	52	-1.0	-43.08	386.78	9.65	-33.43
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1(CC)CC	REAL300020283421	0	61	-1.0	-45.89	426.81	9.54	-36.35
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1(CC)CC	REAL300020283421	1	61	-1.0	-45.94	426.87	9.56	-36.38
CCNS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020283422	0	53	-1.0	-53.15	417.02	3.74	-49.41
CCNS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020283422	1	53	-1.0	-53.16	417.08	3.76	-49.40
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020283423	0	50	-1.0	-58.32	391.95	2.55	-55.77
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020283423	1	50	-1.0	-58.33	392.01	2.55	-55.78
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020283424	0	51	-1.0	-39.97	407.99	8.49	-31.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020283424	1	51	-1.0	-39.93	408.05	8.51	-31.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020283425	0	48	-1.0	-43.79	381.56	7.89	-35.90
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020283425	1	48	-1.0	-43.79	381.62	7.90	-35.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020283426	0	51	-1.0	-42.09	399.00	8.89	-33.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020283426	1	51	-1.0	-42.12	399.06	8.90	-33.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020283427	0	48	-1.0	-46.75	376.89	8.31	-38.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020283427	1	48	-1.0	-46.73	376.94	8.32	-38.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020283428	0	49	-1.0	-46.15	385.52	7.66	-38.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020283428	1	49	-1.0	-46.14	385.57	7.68	-38.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020283429	0	53	-1.0	-49.52	416.14	3.86	-45.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020283429	1	53	-1.0	-49.57	416.20	3.88	-45.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020283430	0	55	-1.0	-42.03	392.72	7.19	-34.84
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020283430	1	55	-1.0	-42.03	392.77	7.20	-34.83
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020283431	0	52	-1.0	-43.40	381.02	6.43	-36.97
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020283431	1	52	-1.0	-43.42	381.09	6.44	-36.98
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C12CCC2	REAL300020283432	0	59	-1.0	-42.69	450.64	8.93	-33.76
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C12CCC2	REAL300020283432	1	59	-1.0	-42.67	450.70	8.95	-33.72
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C12CCC2	REAL300020283433	0	56	-1.0	-41.92	428.65	8.18	-33.74
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C12CCC2	REAL300020283433	1	56	-1.0	-41.90	428.71	8.20	-33.70
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283434	0	61	-1.0	-40.80	437.13	10.42	-30.38
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283434	1	61	-1.0	-40.80	437.18	10.43	-30.37
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283435	0	58	-1.0	-48.79	412.40	8.92	-39.87
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283435	1	58	-1.0	-48.83	412.46	8.93	-39.90
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020283436	0	49	-1.0	-42.80	394.17	9.46	-33.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020283436	1	49	-1.0	-42.77	394.23	9.47	-33.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020283437	0	46	-1.0	-44.66	372.24	8.94	-35.72
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020283437	1	46	-1.0	-44.61	372.30	8.96	-35.65
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020283438	0	61	-1.0	-41.35	452.73	10.30	-31.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020283438	1	61	-1.0	-41.33	452.78	10.32	-31.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020283439	0	58	-1.0	-43.75	424.39	9.75	-34.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020283439	1	58	-1.0	-43.80	424.45	9.78	-34.02
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283440	0	54	-1.0	-42.65	408.86	9.59	-33.06
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283440	1	54	-1.0	-42.68	408.92	9.60	-33.08
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283441	0	51	-1.0	-41.66	391.56	9.19	-32.47
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283441	1	51	-1.0	-41.62	391.50	9.17	-32.45
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020283442	0	51	-1.0	-42.42	406.57	9.60	-32.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020283442	1	51	-1.0	-42.41	406.63	9.61	-32.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020283443	0	48	-1.0	-46.78	377.94	9.06	-37.72
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020283443	1	48	-1.0	-46.84	377.99	9.06	-37.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020283444	0	49	-1.0	-49.11	390.52	10.61	-38.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020283444	1	49	-1.0	-49.14	390.56	10.62	-38.52
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020283445	0	49	-1.0	-43.49	383.58	8.91	-34.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020283445	1	49	-1.0	-43.49	383.64	8.92	-34.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020283446	0	49	-1.0	-48.96	396.03	10.47	-38.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020283446	1	49	-1.0	-48.98	396.09	10.49	-38.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020283447	0	58	-1.0	-43.51	417.28	10.42	-33.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020283447	1	58	-1.0	-43.51	417.32	10.44	-33.07
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020283448	0	55	-1.0	-44.00	404.19	9.86	-34.14
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020283448	1	55	-1.0	-44.02	404.24	9.88	-34.14
CC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283449	0	55	-1.0	-42.28	407.59	9.77	-32.51
CC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283449	1	55	-1.0	-42.26	407.64	9.78	-32.48
CC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283450	0	52	-1.0	-45.57	391.93	8.43	-37.14
CC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283450	1	52	-1.0	-45.55	391.88	8.42	-37.13
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020283451	0	55	-1.0	-43.35	427.53	11.79	-31.56
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020283451	1	55	-1.0	-43.38	427.59	11.80	-31.58
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020283452	0	52	-1.0	-41.93	400.50	8.61	-33.32
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020283452	1	52	-1.0	-41.87	400.45	8.58	-33.29
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020283453	0	49	-1.0	-41.48	398.64	9.21	-32.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020283453	1	49	-1.0	-41.50	398.69	9.23	-32.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020283454	0	46	-1.0	-43.08	372.40	8.28	-34.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020283454	1	46	-1.0	-43.11	372.34	8.24	-34.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020283455	0	54	-1.0	-40.64	417.84	9.35	-31.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020283455	1	54	-1.0	-40.66	417.90	9.36	-31.30
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020283456	0	51	-1.0	-50.37	394.07	8.09	-42.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020283456	1	51	-1.0	-50.39	394.01	8.06	-42.33
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020283457	0	54	-1.0	-39.64	418.62	9.56	-30.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020283457	1	54	-1.0	-39.65	418.68	9.58	-30.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020283458	0	51	-1.0	-40.58	399.91	9.10	-31.48
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020283458	1	51	-1.0	-40.57	399.84	9.08	-31.49
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283459	0	54	-1.0	-42.01	413.51	10.64	-31.37
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283459	1	54	-1.0	-41.98	413.56	10.66	-31.32
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283460	0	51	-1.0	-42.25	395.60	9.22	-33.03
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283460	1	51	-1.0	-42.27	395.54	9.20	-33.07
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283461	0	51	-1.0	-40.25	422.46	9.87	-30.38
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283461	1	51	-1.0	-40.26	422.52	9.88	-30.38
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283462	0	48	-1.0	-42.05	388.43	8.29	-33.76
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283462	1	48	-1.0	-42.10	388.49	8.32	-33.78
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283463	0	51	-1.0	-41.72	413.43	9.27	-32.45
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283463	1	51	-1.0	-41.74	413.49	9.28	-32.46
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283464	0	48	-1.0	-48.74	383.29	8.70	-40.04
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283464	1	48	-1.0	-48.74	383.37	8.71	-40.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020283465	0	51	-1.0	-42.82	424.18	10.19	-32.63
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020283465	1	51	-1.0	-42.84	424.23	10.21	-32.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020283466	0	51	-1.0	-44.98	422.12	10.25	-34.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020283466	1	51	-1.0	-44.97	422.18	10.27	-34.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020283467	0	51	-1.0	-39.47	404.84	9.16	-30.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020283467	1	51	-1.0	-39.47	404.91	9.17	-30.30
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C(C)C	REAL300020283468	0	56	-1.0	-41.18	417.98	8.60	-32.58
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C(C)C	REAL300020283468	1	56	-1.0	-41.22	418.04	8.61	-32.61
CCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C(C)C	REAL300020283469	0	53	-1.0	-44.26	402.21	7.59	-36.67
CCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C(C)C	REAL300020283469	1	53	-1.0	-44.31	402.27	7.61	-36.70
CCCCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C)C(C)C	REAL300020283470	0	60	-1.0	-42.65	448.64	10.63	-32.02
CCCCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C)C(C)C	REAL300020283470	1	60	-1.0	-42.66	448.67	10.62	-32.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020283471	0	51	-1.0	-49.29	409.61	8.12	-41.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020283471	1	51	-1.0	-49.27	409.64	8.14	-41.13
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283472	0	51	-1.0	-40.14	409.45	8.98	-31.16
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283472	1	51	-1.0	-40.12	409.51	8.99	-31.13
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283473	0	48	-1.0	-43.05	399.30	9.16	-33.89
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283473	1	48	-1.0	-43.04	399.35	9.19	-33.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020283474	0	51	-1.0	-39.36	396.65	9.23	-30.13
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020283474	1	51	-1.0	-39.43	396.71	9.24	-30.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020283475	0	48	-1.0	-41.56	380.65	8.09	-33.47
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020283475	1	48	-1.0	-41.56	380.59	8.07	-33.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020283476	0	53	-1.0	-41.14	409.51	5.33	-35.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020283476	1	53	-1.0	-41.15	409.57	5.34	-35.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020283477	0	50	-1.0	-41.76	393.13	4.36	-37.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020283477	1	50	-1.0	-41.77	393.18	4.38	-37.39
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020283478	0	48	-1.0	-53.43	380.86	3.74	-49.69
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020283478	1	48	-1.0	-53.41	380.92	3.75	-49.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020283479	0	45	-1.0	-48.20	364.69	2.45	-45.75
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020283479	1	45	-1.0	-48.22	364.74	2.47	-45.75
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283480	0	55	-1.0	-41.81	440.99	8.03	-33.78
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283480	1	55	-1.0	-41.83	441.05	8.05	-33.78
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283481	0	52	-1.0	-43.16	421.20	7.16	-36.00
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283481	1	52	-1.0	-43.15	421.26	7.18	-35.97
COC1=CC2=C(C=C1OC)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020283482	0	54	-1.0	-44.30	425.87	7.70	-36.60
COC1=CC2=C(C=C1OC)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020283482	1	54	-1.0	-44.29	425.93	7.72	-36.57
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CCS(=O)(=O)C1	REAL300020283483	0	51	-1.0	-50.92	393.05	4.48	-46.44
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CCS(=O)(=O)C1	REAL300020283483	1	51	-1.0	-50.92	393.10	4.49	-46.43
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CCS(=O)(=O)C1	REAL300020283484	0	48	-1.0	-46.37	371.57	3.67	-42.70
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCS(=O)(=O)C1	REAL300020283484	1	48	-1.0	-46.43	371.63	3.70	-42.73
CC1=CC=CC(C)=C1NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283485	0	55	-1.0	-46.12	423.48	8.53	-37.59
CC1=CC=CC(C)=C1NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283485	1	55	-1.0	-46.09	423.56	8.53	-37.56
CCN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283486	0	54	-1.0	-44.69	419.82	7.37	-37.32
CCN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283486	1	54	-1.0	-44.75	419.87	7.39	-37.36
CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1C	REAL300020283487	0	55	-1.0	-45.98	420.64	8.22	-37.76
CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1C	REAL300020283487	1	55	-1.0	-45.98	420.67	8.23	-37.75
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283488	0	55	-1.0	-43.51	435.31	8.16	-35.35
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283488	1	55	-1.0	-43.59	435.36	8.18	-35.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020283489	0	54	-1.0	-40.40	404.15	8.09	-32.31
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020283489	1	54	-1.0	-40.45	404.21	8.10	-32.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020283490	0	51	-1.0	-42.39	375.48	7.11	-35.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020283490	1	51	-1.0	-42.38	375.53	7.13	-35.25
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC(C)CC1	REAL300020283491	0	58	-1.0	-42.39	424.12	10.38	-32.01
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC(C)CC1	REAL300020283491	1	58	-1.0	-42.46	424.15	10.36	-32.10
CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283492	0	48	-1.0	-40.03	395.98	8.50	-31.53
CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283492	1	48	-1.0	-40.02	396.04	8.51	-31.51
CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283493	0	45	-1.0	-41.99	374.27	7.72	-34.27
CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283493	1	45	-1.0	-41.95	374.20	7.69	-34.26
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020283494	0	54	-1.0	-43.12	427.25	7.50	-35.62
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020283494	1	54	-1.0	-43.10	427.30	7.52	-35.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020283495	0	51	-1.0	-42.94	413.20	7.08	-35.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020283495	1	51	-1.0	-42.92	413.25	7.10	-35.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020283496	0	53	-1.0	-47.25	426.69	10.44	-36.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020283496	1	53	-1.0	-47.25	426.76	10.45	-36.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020283497	0	50	-1.0	-48.40	416.42	9.52	-38.88
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020283497	1	50	-1.0	-48.40	416.48	9.54	-38.86
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283498	0	54	-1.0	-44.09	434.86	6.64	-37.45
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283498	1	54	-1.0	-44.09	434.92	6.65	-37.44
C#CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283499	0	51	-1.0	-44.92	408.66	6.01	-38.91
C#CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283499	1	51	-1.0	-44.92	408.72	6.03	-38.89
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283500	0	53	-1.0	-47.93	406.71	5.21	-42.72
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283500	1	53	-1.0	-47.90	406.77	5.22	-42.68
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283501	0	50	-1.0	-50.99	400.49	4.72	-46.27
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283501	1	50	-1.0	-50.97	400.57	4.75	-46.22
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020283502	0	53	-1.0	-47.41	408.55	4.36	-43.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020283502	1	53	-1.0	-47.40	408.61	4.38	-43.02
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020283503	0	50	-1.0	-52.25	391.40	4.24	-48.01
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020283503	1	50	-1.0	-52.27	391.46	4.27	-48.00
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020283504	0	52	-1.0	-44.05	400.38	9.29	-34.76
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020283504	1	52	-1.0	-44.08	400.44	9.30	-34.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020283505	0	49	-1.0	-44.52	386.41	8.48	-36.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020283505	1	49	-1.0	-44.49	386.35	8.45	-36.04
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020283506	0	46	-1.0	-39.78	359.76	7.33	-32.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020283506	1	46	-1.0	-39.75	359.81	7.35	-32.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020283507	0	43	-1.0	-42.15	337.56	6.75	-35.40
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020283507	1	43	-1.0	-42.15	337.51	6.73	-35.42
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC21	REAL300020283508	0	50	-1.0	-43.24	376.19	8.08	-35.16
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC21	REAL300020283508	1	50	-1.0	-43.23	376.21	8.08	-35.15
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283509	0	54	-1.0	-45.69	430.14	9.47	-36.22
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283509	1	54	-1.0	-45.66	430.20	9.49	-36.17
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020283510	0	55	-1.0	-42.84	441.43	11.07	-31.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020283510	1	55	-1.0	-42.78	441.49	11.08	-31.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020283511	0	52	-1.0	-45.64	422.24	9.44	-36.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020283511	1	52	-1.0	-45.63	422.29	9.46	-36.17
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020283512	0	60	-1.0	-40.77	425.99	9.32	-31.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020283512	1	60	-1.0	-40.76	426.05	9.34	-31.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020283513	0	57	-1.0	-45.55	398.52	8.95	-36.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020283513	1	57	-1.0	-45.53	398.57	8.96	-36.57
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020283514	0	57	-1.0	-40.08	406.89	9.48	-30.60
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020283514	1	57	-1.0	-40.08	406.95	9.49	-30.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020283515	0	54	-1.0	-43.76	384.48	9.03	-34.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020283515	1	54	-1.0	-43.80	384.53	9.05	-34.75
C#CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283516	0	43	-1.0	-38.88	348.80	6.87	-32.01
C#CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283516	1	43	-1.0	-38.85	348.85	6.88	-31.97
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283517	0	47	-1.0	-41.79	367.84	8.97	-32.82
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283517	1	47	-1.0	-41.74	367.86	8.96	-32.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020283518	0	59	0.0	-69.90	423.93	7.34	-62.56
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020283518	1	59	0.0	-67.37	434.20	6.63	-60.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020283518	1	59	0.0	-69.95	423.96	7.35	-62.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020283518	1	59	0.0	-67.38	434.25	6.66	-60.72
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020283519	0	53	-1.0	-43.19	410.07	8.38	-34.81
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020283519	1	53	-1.0	-43.21	410.13	8.39	-34.82
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020283520	0	50	-1.0	-47.63	383.50	8.12	-39.51
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020283520	1	50	-1.0	-47.61	383.45	8.12	-39.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020283521	0	54	-1.0	-39.63	394.69	8.58	-31.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020283521	1	54	-1.0	-39.62	394.74	8.60	-31.02
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020283522	0	51	-1.0	-41.60	359.83	7.81	-33.79
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020283522	1	51	-1.0	-41.61	359.89	7.84	-33.77
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020283523	0	58	-1.0	-40.48	417.27	11.25	-29.23
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020283523	1	58	-1.0	-40.43	417.25	11.24	-29.19
CC1=NSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=N1	REAL300020283524	0	49	-1.0	-46.69	390.23	5.88	-40.81
CC1=NSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=N1	REAL300020283524	1	49	-1.0	-46.65	390.26	5.88	-40.77
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283525	0	58	-1.0	-45.17	425.01	10.03	-35.14
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283525	1	58	-1.0	-45.19	425.06	10.05	-35.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020283526	0	58	-1.0	-40.87	437.87	10.23	-30.64
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020283526	1	58	-1.0	-40.90	437.93	10.25	-30.65
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020283527	0	55	-1.0	-43.49	428.00	9.49	-34.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020283527	1	55	-1.0	-43.47	428.06	9.51	-33.96
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020283528	0	55	-1.0	-41.48	418.76	10.50	-30.98
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020283528	1	55	-1.0	-41.52	418.82	10.52	-31.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020283529	0	52	-1.0	-47.32	386.97	9.79	-37.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020283529	1	52	-1.0	-47.34	387.02	9.80	-37.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020283530	0	50	-1.0	-46.89	410.65	10.07	-36.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020283530	1	50	-1.0	-46.88	410.71	10.08	-36.80
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020283531	0	58	-1.0	-42.76	441.22	11.65	-31.11
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020283531	1	58	-1.0	-42.78	441.28	11.67	-31.11
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020283532	0	55	-1.0	-46.60	415.84	11.02	-35.58
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020283532	1	55	-1.0	-46.65	415.79	11.01	-35.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020283533	0	61	-1.0	-39.51	433.20	10.33	-29.18
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020283533	1	61	-1.0	-39.48	433.26	10.35	-29.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020283534	0	58	-1.0	-46.02	398.25	9.90	-36.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020283534	1	58	-1.0	-46.04	398.30	9.91	-36.13
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020283535	0	49	-1.0	-39.78	381.38	8.42	-31.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020283535	1	49	-1.0	-39.77	381.44	8.43	-31.34
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020283536	0	46	-1.0	-43.41	362.08	8.32	-35.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020283536	1	46	-1.0	-43.45	362.02	8.29	-35.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020283537	0	51	-1.0	-43.00	392.07	4.93	-38.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020283537	1	51	-1.0	-43.01	392.12	4.96	-38.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020283538	0	48	-1.0	-44.04	382.28	4.04	-40.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020283538	1	48	-1.0	-44.04	382.34	4.07	-39.97
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCCCO	REAL300020283539	0	55	-1.0	-43.84	424.19	6.94	-36.90
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCCCO	REAL300020283539	1	55	-1.0	-43.81	424.23	6.94	-36.87
COCCN(CC1=CC=C(C)O1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283540	0	55	-1.0	-41.31	442.21	7.50	-33.81
COCCN(CC1=CC=C(C)O1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283540	1	55	-1.0	-41.29	442.27	7.52	-33.77
COCCN(CC1=CC=C(C)O1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283541	0	52	-1.0	-47.08	408.71	6.99	-40.09
COCCN(CC1=CC=C(C)O1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283541	1	52	-1.0	-47.10	408.76	6.99	-40.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020283542	0	53	-1.0	-43.18	413.63	9.71	-33.47
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020283542	1	53	-1.0	-43.19	413.68	9.72	-33.47
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020283543	0	50	-1.0	-45.16	391.38	9.29	-35.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020283543	1	50	-1.0	-45.11	391.33	9.27	-35.84
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020283544	0	51	-1.0	-40.19	390.29	7.52	-32.67
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020283544	1	51	-1.0	-40.19	390.35	7.53	-32.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020283545	0	48	-1.0	-42.95	364.10	6.51	-36.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020283545	1	48	-1.0	-42.93	364.04	6.49	-36.44
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CCC1C	REAL300020283546	0	55	-1.0	-41.64	416.63	9.24	-32.40
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CCC1C	REAL300020283546	1	55	-1.0	-41.62	416.66	9.23	-32.39
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020283547	0	52	-1.0	-41.78	393.33	8.56	-33.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020283547	1	52	-1.0	-41.77	393.38	8.58	-33.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020283548	0	49	-1.0	-42.49	381.54	8.58	-33.91
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020283548	1	49	-1.0	-42.50	381.48	8.56	-33.94
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020283549	0	58	-1.0	-45.06	443.67	11.04	-34.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020283549	1	58	-1.0	-45.13	443.73	11.06	-34.07
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020283550	0	61	-1.0	-43.86	439.91	10.29	-33.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020283550	1	61	-1.0	-43.88	439.97	10.32	-33.56
COC(=O)C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020283551	0	52	-1.0	-47.79	413.53	8.75	-39.04
COC(=O)C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020283551	1	52	-1.0	-47.80	413.59	8.77	-39.03
CC(=O)NC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283552	0	58	-1.0	-48.77	441.26	6.61	-42.16
CC(=O)NC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283552	1	58	-1.0	-48.79	441.32	6.63	-42.16
CC(=O)NC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283553	0	55	-1.0	-48.63	421.31	5.04	-43.59
CC(=O)NC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283553	1	55	-1.0	-48.61	421.37	5.07	-43.54
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283554	0	49	-1.0	-40.62	393.53	8.58	-32.04
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283554	1	49	-1.0	-40.63	393.59	8.59	-32.04
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283555	0	46	-1.0	-43.17	359.79	7.98	-35.19
C=CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283555	1	46	-1.0	-43.12	359.76	7.96	-35.16
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283556	0	53	-1.0	-42.61	414.84	10.04	-32.57
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283556	1	53	-1.0	-42.59	414.87	10.03	-32.56
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283557	0	52	-1.0	-42.29	421.75	8.87	-33.42
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283557	1	52	-1.0	-42.27	421.80	8.88	-33.39
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283558	0	49	-1.0	-44.65	396.70	8.31	-36.34
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283558	1	49	-1.0	-44.66	396.65	8.28	-36.38
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020283559	0	54	-1.0	-48.86	418.35	7.95	-40.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020283559	1	54	-1.0	-48.88	418.40	7.96	-40.92
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020283560	0	51	-1.0	-47.66	403.72	8.81	-38.85
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020283560	1	51	-1.0	-47.69	403.78	8.82	-38.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020283561	0	48	-1.0	-55.80	350.39	7.34	-48.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020283561	1	48	-1.0	-55.77	350.34	7.34	-48.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020283562	0	49	-1.0	-40.91	396.17	9.17	-31.74
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020283562	1	49	-1.0	-40.95	396.23	9.19	-31.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020283563	0	46	-1.0	-42.22	355.96	7.27	-34.95
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020283563	1	46	-1.0	-42.26	356.01	7.29	-34.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020283564	0	53	-1.0	-47.52	429.64	9.92	-37.60
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020283564	1	53	-1.0	-47.55	429.69	9.93	-37.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020283565	0	50	-1.0	-50.43	403.71	9.17	-41.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020283565	1	50	-1.0	-50.46	403.78	9.19	-41.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020283566	0	46	-1.0	-42.07	362.19	10.21	-31.86
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020283566	1	46	-1.0	-42.08	362.25	10.22	-31.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020283567	0	43	-1.0	-47.00	347.34	9.80	-37.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020283567	1	43	-1.0	-46.96	347.26	9.79	-37.17
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020283568	0	50	-1.0	-43.67	394.68	12.27	-31.40
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020283568	1	50	-1.0	-43.67	394.73	12.26	-31.41
CC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283569	0	48	-1.0	-42.33	380.56	9.83	-32.50
CC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283569	1	48	-1.0	-42.36	380.62	9.84	-32.52
CC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283570	0	45	-1.0	-47.13	359.94	8.85	-38.28
CC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283570	1	45	-1.0	-47.11	359.88	8.82	-38.29
CC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C=C1	REAL300020283571	0	52	-1.0	-45.54	400.38	12.88	-32.66
CC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C=C1	REAL300020283571	1	52	-1.0	-45.53	400.46	12.86	-32.67
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020283572	0	48	-1.0	-41.46	381.07	9.50	-31.96
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020283572	1	48	-1.0	-41.49	381.14	9.52	-31.97
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020283573	0	45	-1.0	-49.78	338.87	10.40	-39.38
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020283573	1	45	-1.0	-49.76	338.80	10.40	-39.36
CC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)=C1	REAL300020283574	0	52	-1.0	-45.63	393.21	12.86	-32.77
CC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)=C1	REAL300020283574	1	52	-1.0	-45.64	393.27	12.85	-32.79
CC1=CC(C)=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020283575	0	51	-1.0	-41.95	403.97	10.53	-31.42
CC1=CC(C)=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020283575	1	51	-1.0	-41.98	404.03	10.54	-31.44
CC1=CC(C)=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020283576	0	48	-1.0	-50.19	360.15	10.98	-39.21
CC1=CC(C)=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020283576	1	48	-1.0	-50.16	360.11	10.97	-39.19
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1C	REAL300020283577	0	51	-1.0	-43.86	390.93	11.67	-32.19
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1C	REAL300020283577	1	51	-1.0	-43.86	390.98	11.69	-32.17
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1C	REAL300020283578	0	48	-1.0	-46.57	369.33	10.89	-35.68
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1C	REAL300020283578	1	48	-1.0	-46.51	369.28	10.87	-35.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020283579	0	54	-1.0	-43.33	404.57	12.09	-31.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020283579	1	54	-1.0	-43.33	404.63	12.10	-31.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020283580	0	51	-1.0	-46.57	397.94	10.30	-36.27
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020283580	1	51	-1.0	-46.63	397.88	10.28	-36.35
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020283581	0	58	-1.0	-44.97	433.96	13.21	-31.76
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020283581	1	58	-1.0	-45.01	434.02	13.23	-31.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020283582	0	55	-1.0	-51.54	403.38	12.63	-38.91
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020283582	1	55	-1.0	-51.54	403.34	12.61	-38.93
CC1=CC2=C(C=C1C)N(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020283583	0	52	-1.0	-45.78	396.12	12.09	-33.69
CC1=CC2=C(C=C1C)N(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020283583	1	52	-1.0	-45.78	396.18	12.10	-33.68
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020283584	0	49	-1.0	-48.43	374.66	11.31	-37.12
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020283584	1	49	-1.0	-48.47	374.60	11.28	-37.19
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020283585	0	56	-1.0	-43.80	419.32	13.12	-30.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020283585	1	56	-1.0	-43.83	419.38	13.13	-30.70
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020283586	0	53	-1.0	-46.48	407.40	11.85	-34.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020283586	1	53	-1.0	-46.44	407.34	11.82	-34.62
CCC1(CC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C2=CC=CC=C21	REAL300020283587	0	58	-1.0	-41.88	441.44	12.57	-29.31
CCC1(CC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C2=CC=CC=C21	REAL300020283587	1	58	-1.0	-41.85	441.50	12.58	-29.27
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C2=CC=CC=C21	REAL300020283588	0	55	-1.0	-47.55	408.50	12.20	-35.35
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C2=CC=CC=C21	REAL300020283588	1	55	-1.0	-47.55	408.44	12.18	-35.37
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283589	0	49	-1.0	-42.45	391.62	11.16	-31.29
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283589	1	49	-1.0	-42.44	391.68	11.17	-31.27
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283590	0	46	-1.0	-43.76	362.83	10.59	-33.17
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283590	1	46	-1.0	-43.73	362.77	10.58	-33.15
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020283591	0	55	-1.0	-40.87	416.58	11.85	-29.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020283591	1	55	-1.0	-40.87	416.63	11.86	-29.01
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020283592	0	52	-1.0	-46.59	399.43	11.38	-35.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020283592	1	52	-1.0	-46.57	399.37	11.36	-35.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020283593	0	54	-1.0	-42.12	419.37	11.07	-31.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020283593	1	54	-1.0	-42.13	419.43	11.09	-31.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020283594	0	51	-1.0	-47.70	400.85	10.37	-37.33
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020283594	1	51	-1.0	-47.67	400.79	10.35	-37.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020283595	0	50	-1.0	-41.68	395.10	11.58	-30.10
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020283595	1	50	-1.0	-41.64	395.15	11.59	-30.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020283596	0	47	-1.0	-46.59	379.32	11.12	-35.47
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020283596	1	47	-1.0	-46.57	379.26	11.10	-35.47
COC1=CC(OC)=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020283597	0	53	-1.0	-47.07	403.55	8.77	-38.30
COC1=CC(OC)=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020283597	1	53	-1.0	-47.08	403.61	8.79	-38.29
COC1=CC(OC)=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020283598	0	50	-1.0	-50.72	398.67	7.03	-43.69
COC1=CC(OC)=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020283598	1	50	-1.0	-50.70	398.61	7.01	-43.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020283599	0	53	-1.0	-41.59	416.04	12.35	-29.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020283599	1	53	-1.0	-41.58	416.10	12.36	-29.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020283600	0	50	-1.0	-47.30	380.29	11.76	-35.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020283600	1	50	-1.0	-47.32	380.23	11.74	-35.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020283601	0	58	-1.0	-41.32	438.29	12.37	-28.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020283601	1	58	-1.0	-41.27	438.35	12.39	-28.88
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020283602	0	55	-1.0	-44.03	417.07	11.72	-32.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020283602	1	55	-1.0	-44.04	417.01	11.69	-32.35
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020283603	0	55	-1.0	-43.70	429.19	9.98	-33.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020283603	1	55	-1.0	-43.70	429.24	9.99	-33.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020283604	0	52	-1.0	-48.80	407.83	9.01	-39.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020283604	1	52	-1.0	-48.79	407.78	8.99	-39.80
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020283605	0	55	-1.0	-42.06	422.45	5.83	-36.23
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020283605	1	55	-1.0	-42.09	422.50	5.84	-36.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020283606	0	52	-1.0	-45.58	401.51	5.13	-40.45
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020283606	1	52	-1.0	-45.57	401.57	5.14	-40.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020283607	0	49	-1.0	-42.24	397.43	8.99	-33.25
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020283607	1	49	-1.0	-42.25	397.48	9.01	-33.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020283608	0	46	-1.0	-43.23	377.24	8.75	-34.48
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020283608	1	46	-1.0	-43.24	377.30	8.78	-34.46
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020283609	0	49	-1.0	-43.23	392.35	8.39	-34.84
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020283609	1	49	-1.0	-43.24	392.41	8.40	-34.84
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020283610	0	46	-1.0	-45.65	363.95	7.96	-37.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020283610	1	46	-1.0	-45.71	363.89	7.94	-37.77
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=O)C=C1	REAL300020283611	0	53	-1.0	-46.20	415.35	8.78	-37.42
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=O)C=C1	REAL300020283611	1	53	-1.0	-46.19	415.40	8.78	-37.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020283612	0	55	-1.0	-39.95	424.41	10.31	-29.64
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020283612	1	55	-1.0	-39.99	424.46	10.32	-29.67
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020283613	0	52	-1.0	-44.42	384.60	8.05	-36.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020283613	1	52	-1.0	-44.40	384.54	8.03	-36.37
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2=N1	REAL300020283614	0	48	-1.0	-41.69	386.35	6.83	-34.86
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2=N1	REAL300020283614	1	48	-1.0	-41.69	386.41	6.84	-34.85
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=N1	REAL300020283615	0	45	-1.0	-45.24	353.37	6.34	-38.90
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=N1	REAL300020283615	1	45	-1.0	-45.23	353.32	6.33	-38.90
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC1	REAL300020283616	0	45	-1.0	-41.59	346.77	7.16	-34.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC1	REAL300020283616	1	45	-1.0	-41.60	346.83	7.18	-34.42
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1	REAL300020283617	0	49	-1.0	-42.43	379.00	9.48	-32.95
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC1	REAL300020283617	1	49	-1.0	-42.41	379.03	9.48	-32.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020283618	0	51	-1.0	-47.14	402.71	4.22	-42.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020283618	1	51	-1.0	-47.18	402.77	4.23	-42.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020283619	0	48	-1.0	-48.88	379.05	3.53	-45.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020283619	1	48	-1.0	-48.85	379.10	3.54	-45.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020283620	0	56	-1.0	-41.22	421.80	10.86	-30.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020283620	1	56	-1.0	-41.19	421.86	10.88	-30.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020283621	0	53	-1.0	-42.47	408.81	10.05	-32.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020283621	1	53	-1.0	-42.44	408.75	10.03	-32.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020283622	0	55	-1.0	-41.90	399.76	8.82	-33.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020283622	1	55	-1.0	-41.90	399.81	8.84	-33.06
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020283623	0	52	-1.0	-46.33	373.75	7.64	-38.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020283623	1	52	-1.0	-46.34	373.81	7.67	-38.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020283624	0	55	-1.0	-41.18	420.16	9.44	-31.74
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020283624	1	55	-1.0	-41.21	420.21	9.46	-31.75
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020283625	0	52	-1.0	-47.71	376.77	8.97	-38.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020283625	1	52	-1.0	-47.71	376.81	8.98	-38.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020283626	0	55	-1.0	-43.06	435.56	9.76	-33.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020283626	1	55	-1.0	-43.02	435.62	9.78	-33.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020283627	0	52	-1.0	-47.09	415.67	10.53	-36.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020283627	1	52	-1.0	-47.10	415.79	10.56	-36.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020283628	0	57	-1.0	-39.74	418.68	10.00	-29.74
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020283628	1	57	-1.0	-39.77	418.73	10.01	-29.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020283629	0	54	-1.0	-41.52	391.96	9.34	-32.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020283629	1	54	-1.0	-41.50	392.02	9.37	-32.13
CC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283630	0	46	-1.0	-39.82	349.99	7.43	-32.39
CC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283630	1	46	-1.0	-39.80	350.05	7.45	-32.35
CC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283631	0	43	-1.0	-41.64	341.49	6.94	-34.70
CC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283631	1	43	-1.0	-41.65	341.43	6.91	-34.74
CC1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020283632	0	50	-1.0	-41.51	395.00	9.72	-31.79
CC1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020283632	1	50	-1.0	-41.50	395.05	9.71	-31.79
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020283633	0	49	-1.0	-39.11	381.04	7.16	-31.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020283633	1	49	-1.0	-39.16	381.10	7.18	-31.98
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020283634	0	46	-1.0	-40.29	357.03	7.14	-33.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020283634	1	46	-1.0	-40.29	357.08	7.17	-33.12
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)C1C	REAL300020283635	0	53	-1.0	-40.77	408.83	9.66	-31.11
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)C1C	REAL300020283635	1	53	-1.0	-40.71	408.85	9.66	-31.05
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283636	0	48	-1.0	-40.61	369.50	7.24	-33.37
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283636	1	48	-1.0	-40.59	369.55	7.25	-33.34
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283637	0	45	-1.0	-44.19	347.35	6.84	-37.35
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283637	1	45	-1.0	-44.17	347.30	6.82	-37.35
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283638	0	52	-1.0	-41.95	401.48	9.56	-32.39
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283638	1	52	-1.0	-41.93	401.51	9.54	-32.39
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020283639	0	57	-1.0	-40.73	415.66	9.05	-31.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020283639	1	57	-1.0	-40.71	415.71	9.07	-31.64
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020283640	0	54	-1.0	-42.33	395.66	7.60	-34.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020283640	1	54	-1.0	-42.33	395.72	7.63	-34.70
C#CCN(CC#CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283641	0	45	-1.0	-40.22	375.80	8.31	-31.91
C#CCN(CC#CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283641	1	45	-1.0	-40.22	375.86	8.32	-31.90
C#CCN(CC#CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283642	0	42	-1.0	-46.09	341.20	7.90	-38.19
C#CCN(CC#CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283642	1	42	-1.0	-46.15	340.98	7.88	-38.27
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283643	0	49	-1.0	-42.54	397.87	10.37	-32.17
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283643	1	49	-1.0	-42.50	398.96	10.40	-32.10
CC1=C(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283644	0	49	-1.0	-40.50	370.45	8.25	-32.25
CC1=C(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283644	1	49	-1.0	-40.52	370.51	8.28	-32.24
CC1=C(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283645	0	46	-1.0	-42.40	351.63	7.32	-35.08
CC1=C(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283645	1	46	-1.0	-42.40	351.57	7.30	-35.10
CC1=C(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020283646	0	53	-1.0	-41.43	412.32	10.25	-31.18
CC1=C(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020283646	1	53	-1.0	-41.42	412.36	10.25	-31.17
CCN(CC1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283647	0	51	-1.0	-39.80	387.96	7.84	-31.96
CCN(CC1CCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283647	1	51	-1.0	-39.80	388.01	7.86	-31.94
CCN(CC1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283648	0	48	-1.0	-47.01	357.00	7.35	-39.66
CCN(CC1CCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283648	1	48	-1.0	-47.00	357.04	7.36	-39.64
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283649	0	55	-1.0	-41.33	416.12	10.05	-31.28
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283649	1	55	-1.0	-41.28	416.14	10.05	-31.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020283650	0	50	-1.0	-41.46	352.92	6.52	-34.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020283650	1	50	-1.0	-41.46	352.97	6.53	-34.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020283651	0	47	-1.0	-48.06	331.43	6.32	-41.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020283651	1	47	-1.0	-48.04	331.49	6.33	-41.71
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020283652	0	54	-1.0	-42.39	414.30	10.72	-31.67
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020283652	1	54	-1.0	-42.33	414.35	10.71	-31.62
CSCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283653	0	45	-1.0	-43.20	360.90	7.16	-36.04
CSCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283653	1	45	-1.0	-43.18	360.96	7.18	-36.00
CSCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283654	0	42	-1.0	-43.96	350.80	6.21	-37.75
CSCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283654	1	42	-1.0	-43.96	350.86	6.24	-37.72
CSCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283655	0	49	-1.0	-43.49	399.51	9.29	-34.20
CSCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283655	1	49	-1.0	-43.48	399.55	9.29	-34.19
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020283656	0	57	-1.0	-42.53	431.07	8.18	-34.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020283656	1	57	-1.0	-42.51	431.14	8.21	-34.30
CC1=CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)S1	REAL300020283657	0	50	-1.0	-47.73	395.29	6.70	-41.03
CC1=CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)S1	REAL300020283657	1	50	-1.0	-47.71	395.25	6.69	-41.02
COC1=CC=CC(C2CC(C)CN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020283658	0	56	-1.0	-50.59	429.21	9.71	-40.88
COC1=CC=CC(C2CC(C)CN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020283658	1	56	-1.0	-50.63	429.28	9.72	-40.91
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020283659	0	55	-1.0	-41.40	411.91	10.41	-30.99
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020283659	1	55	-1.0	-41.42	411.97	10.43	-30.99
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020283660	0	52	-1.0	-45.30	408.30	10.50	-34.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020283660	1	52	-1.0	-45.29	408.36	10.53	-34.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020283661	0	51	-1.0	-42.94	411.05	10.02	-32.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020283661	1	51	-1.0	-42.95	411.11	10.05	-32.90
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283662	0	54	-1.0	-39.17	403.29	8.86	-30.31
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283662	1	54	-1.0	-39.21	403.34	8.88	-30.33
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283663	0	51	-1.0	-42.83	379.69	8.33	-34.50
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283663	1	51	-1.0	-42.88	379.75	8.35	-34.53
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020283664	0	58	-1.0	-41.75	433.55	11.04	-30.71
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020283664	1	58	-1.0	-41.75	433.66	11.03	-30.72
CSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020283665	0	52	-1.0	-42.08	398.79	9.20	-32.88
CSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020283665	1	52	-1.0	-42.07	398.85	9.22	-32.85
CSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020283666	0	49	-1.0	-48.50	372.63	8.37	-40.13
CSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020283666	1	49	-1.0	-48.52	372.67	8.39	-40.13
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC(C)C2=C1	REAL300020283667	0	56	-1.0	-42.87	418.26	9.01	-33.86
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC(C)C2=C1	REAL300020283667	1	56	-1.0	-42.87	418.32	9.03	-33.84
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020283668	0	54	-1.0	-41.34	387.30	7.95	-33.39
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020283668	1	54	-1.0	-41.38	387.36	7.97	-33.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020283669	0	51	-1.0	-45.98	361.54	9.18	-36.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020283669	1	51	-1.0	-45.96	361.59	9.21	-36.75
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020283670	0	58	-1.0	-43.26	413.92	9.93	-33.33
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020283670	1	58	-1.0	-43.25	413.95	9.91	-33.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020283671	0	53	-1.0	-42.06	403.17	7.40	-34.66
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020283671	1	53	-1.0	-42.16	403.23	7.41	-34.75
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020283672	0	50	-1.0	-43.80	375.05	6.06	-37.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020283672	1	50	-1.0	-43.82	375.11	6.08	-37.74
CC1=CC=CC(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2)=C1	REAL300020283673	0	56	-1.0	-43.20	437.33	10.70	-32.50
CC1=CC=CC(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020283673	1	56	-1.0	-43.19	437.39	10.72	-32.47
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=C1	REAL300020283674	0	53	-1.0	-44.98	416.06	10.42	-34.56
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020283674	1	53	-1.0	-44.98	416.11	10.44	-34.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020283675	0	55	-1.0	-39.13	410.30	9.05	-30.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020283675	1	55	-1.0	-39.16	410.36	9.07	-30.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020283676	0	52	-1.0	-41.32	395.45	8.56	-32.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020283676	1	52	-1.0	-41.28	395.51	8.58	-32.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020283677	0	51	-1.0	-43.92	422.95	10.32	-33.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020283677	1	51	-1.0	-43.93	423.00	10.35	-33.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020283678	0	56	-1.0	-41.80	405.70	7.96	-33.84
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020283678	1	56	-1.0	-41.80	405.74	7.98	-33.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020283679	0	53	-1.0	-42.72	391.06	6.47	-36.25
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020283679	1	53	-1.0	-42.72	391.12	6.49	-36.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020283680	0	53	-1.0	-43.85	378.60	3.62	-40.23
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020283680	1	53	-1.0	-43.90	378.66	3.64	-40.26
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020283681	0	50	-1.0	-46.60	362.11	2.87	-43.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020283681	1	50	-1.0	-46.64	362.16	2.89	-43.75
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020283682	0	55	0.0	-65.72	401.39	9.48	-56.24
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020283682	1	55	0.0	-62.17	407.07	8.81	-53.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020283682	1	55	0.0	-65.72	401.45	9.50	-56.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020283682	1	55	0.0	-62.21	407.13	8.82	-53.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020283683	0	52	0.0	-61.31	387.69	8.43	-52.88
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020283683	1	52	0.0	-66.18	367.30	7.67	-58.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020283683	1	52	0.0	-61.32	387.72	8.46	-52.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020283683	1	52	0.0	-66.16	367.38	7.67	-58.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020283684	0	61	0.0	-66.63	444.73	10.50	-56.13
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020283684	1	61	0.0	-62.86	428.43	9.89	-52.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020283684	1	61	0.0	-66.60	444.67	10.49	-56.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020283684	1	61	0.0	-62.84	428.38	9.87	-52.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020283685	0	58	0.0	-66.23	414.79	9.98	-56.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020283685	1	58	0.0	-67.02	397.55	8.76	-58.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020283685	1	58	0.0	-66.22	414.84	10.00	-56.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020283685	1	58	0.0	-67.00	397.59	8.76	-58.24
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020283686	0	52	-1.0	-39.66	383.77	7.84	-31.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020283686	1	52	-1.0	-39.63	383.83	7.85	-31.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020283687	0	49	-1.0	-43.57	360.73	7.16	-36.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020283687	1	49	-1.0	-43.55	360.79	7.18	-36.37
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020283688	0	56	-1.0	-42.82	411.85	10.29	-32.53
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020283688	1	56	-1.0	-42.77	411.91	10.27	-32.50
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283689	0	51	-1.0	-42.78	409.43	8.97	-33.81
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283689	1	51	-1.0	-42.78	409.49	8.98	-33.80
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283690	0	48	-1.0	-47.42	379.83	7.76	-39.66
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283690	1	48	-1.0	-47.42	379.89	7.77	-39.65
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020283691	0	58	-1.0	-39.70	420.88	9.93	-29.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020283691	1	58	-1.0	-39.69	420.94	9.95	-29.74
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020283692	0	55	-1.0	-47.59	399.89	9.34	-38.25
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020283692	1	55	-1.0	-47.60	399.94	9.34	-38.26
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020283693	0	50	-1.0	-46.01	405.90	10.32	-35.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020283693	1	50	-1.0	-46.01	405.95	10.35	-35.66
CC1=CC(C)=CC(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=C1	REAL300020283694	0	56	-1.0	-45.69	431.85	10.98	-34.71
CC1=CC(C)=CC(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020283694	1	56	-1.0	-45.68	431.91	11.00	-34.68
CCC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1	REAL300020283695	0	56	-1.0	-45.50	432.73	11.62	-33.88
CCC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020283695	1	56	-1.0	-45.49	432.78	11.62	-33.87
C=CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CC1	REAL300020283696	0	46	-1.0	-40.50	365.10	7.63	-32.87
C=CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CC1	REAL300020283696	1	46	-1.0	-40.45	365.16	7.64	-32.81
C=CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CC1	REAL300020283697	0	43	-1.0	-46.63	337.57	7.52	-39.11
C=CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CC1	REAL300020283697	1	43	-1.0	-46.65	337.52	7.52	-39.13
C=CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C)C1CC1	REAL300020283698	0	50	-1.0	-42.18	395.03	9.64	-32.54
C=CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C)C1CC1	REAL300020283698	1	50	-1.0	-42.22	395.06	9.63	-32.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020283699	0	55	-1.0	-43.60	427.77	10.37	-33.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020283699	1	55	-1.0	-43.60	427.83	10.39	-33.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020283700	0	53	-1.0	-42.55	431.59	10.51	-32.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020283700	1	53	-1.0	-42.58	431.65	10.53	-32.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020283701	0	50	-1.0	-42.98	418.29	9.86	-33.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020283701	1	50	-1.0	-43.01	418.23	9.83	-33.18
COCC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)O1	REAL300020283702	0	53	-1.0	-46.51	423.75	7.56	-38.95
COCC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)O1	REAL300020283702	1	53	-1.0	-46.51	423.80	7.58	-38.93
COCC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020283703	0	55	-1.0	-42.55	408.34	7.26	-35.29
COCC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020283703	1	55	-1.0	-42.55	408.40	7.28	-35.27
COCC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020283704	0	52	-1.0	-44.79	380.93	6.87	-37.92
COCC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020283704	1	52	-1.0	-44.78	380.99	6.90	-37.88
CCC1C(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283705	0	51	-1.0	-39.82	378.62	7.18	-32.64
CCC1C(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283705	1	51	-1.0	-39.84	378.68	7.19	-32.65
CCC1C(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283706	0	48	-1.0	-42.70	359.24	6.38	-36.32
CCC1C(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283706	1	48	-1.0	-42.72	359.18	6.35	-36.37
CCC1C(C)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283707	0	55	-1.0	-41.59	407.87	9.24	-32.35
CCC1C(C)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283707	1	55	-1.0	-41.55	407.90	9.23	-32.32
COCC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283708	0	50	-1.0	-40.94	387.92	6.69	-34.25
COCC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283708	1	50	-1.0	-40.98	387.98	6.70	-34.28
COCC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283709	0	47	-1.0	-45.76	361.38	6.45	-39.31
COCC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283709	1	47	-1.0	-45.75	361.44	6.45	-39.30
COCC1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020283710	0	54	-1.0	-42.70	412.83	8.82	-33.88
COCC1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020283710	1	54	-1.0	-42.66	412.87	8.82	-33.84
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1C	REAL300020283711	0	51	-1.0	-41.48	378.59	8.20	-33.28
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1C	REAL300020283711	1	51	-1.0	-41.45	378.65	8.21	-33.24
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1C	REAL300020283712	0	48	-1.0	-47.21	357.91	7.94	-39.27
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1C	REAL300020283712	1	48	-1.0	-47.18	357.97	7.96	-39.22
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1C	REAL300020283713	0	55	-1.0	-42.86	418.14	10.35	-32.51
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1C	REAL300020283713	1	55	-1.0	-42.84	418.18	10.34	-32.50
CC1=CC(C)=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020283714	0	55	-1.0	-43.16	416.61	9.37	-33.79
CC1=CC(C)=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020283714	1	55	-1.0	-43.15	416.67	9.38	-33.77
CC1=CC(C)=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020283715	0	52	-1.0	-45.75	393.76	9.95	-35.80
CC1=CC(C)=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020283715	1	52	-1.0	-45.78	393.71	9.94	-35.84
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020283716	0	58	-1.0	-40.74	440.67	11.52	-29.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020283716	1	58	-1.0	-40.77	440.73	11.53	-29.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020283717	0	55	-1.0	-42.75	424.23	10.74	-32.01
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020283717	1	55	-1.0	-42.75	424.29	10.76	-31.99
COC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283718	0	56	-1.0	-39.90	419.22	9.20	-30.70
COC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283718	1	56	-1.0	-39.91	419.28	9.21	-30.70
COC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283719	0	53	-1.0	-47.39	414.02	9.23	-38.16
COC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283719	1	53	-1.0	-47.43	413.96	9.21	-38.22
CC1=CC=C(CC2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283720	0	58	-1.0	-42.96	438.47	11.08	-31.88
CC1=CC=C(CC2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283720	1	58	-1.0	-42.95	438.53	11.09	-31.86
CC1=CC=C(CC2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283721	0	55	-1.0	-43.57	418.19	10.06	-33.51
CC1=CC=C(CC2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283721	1	55	-1.0	-43.56	418.25	10.08	-33.48
CSCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283722	0	48	-1.0	-39.75	390.16	7.67	-32.08
CSCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283722	1	48	-1.0	-39.69	390.22	7.69	-32.00
CSCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283723	0	45	-1.0	-41.59	366.58	7.24	-34.35
CSCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283723	1	45	-1.0	-41.61	366.64	7.27	-34.34
CSCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283724	0	52	-1.0	-41.75	421.02	10.08	-31.67
CSCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283724	1	52	-1.0	-41.69	421.04	10.08	-31.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020283725	0	58	-1.0	-43.20	434.19	11.30	-31.90
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020283725	1	58	-1.0	-43.20	434.24	11.33	-31.87
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283726	0	53	-1.0	-46.17	426.15	7.61	-38.56
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283726	1	53	-1.0	-46.19	426.21	7.64	-38.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020283727	0	52	-1.0	-45.54	407.33	6.74	-38.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020283727	1	52	-1.0	-45.51	407.37	6.76	-38.75
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020283728	0	54	-1.0	-40.60	409.45	7.93	-32.67
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020283728	1	54	-1.0	-40.57	409.51	7.95	-32.62
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020283729	0	51	-1.0	-43.32	394.04	7.46	-35.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020283729	1	51	-1.0	-43.34	393.98	7.44	-35.90
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020283730	0	52	-1.0	-40.29	395.42	9.81	-30.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020283730	1	52	-1.0	-40.26	395.48	9.82	-30.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020283731	0	49	-1.0	-42.99	380.27	9.05	-33.94
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020283731	1	49	-1.0	-42.97	380.22	9.01	-33.96
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020283732	0	46	-1.0	-41.08	346.50	4.89	-36.19
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020283732	1	46	-1.0	-41.06	346.55	4.90	-36.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020283733	0	43	-1.0	-43.01	328.20	4.32	-38.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020283733	1	43	-1.0	-43.05	328.14	4.30	-38.75
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020283734	0	50	-1.0	-43.03	376.48	7.06	-35.97
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020283734	1	50	-1.0	-43.04	376.51	7.04	-36.00
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC#N	REAL300020283735	0	45	-1.0	-46.57	352.60	7.06	-39.51
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC#N	REAL300020283735	1	45	-1.0	-46.59	352.66	7.08	-39.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC#N	REAL300020283736	0	42	-1.0	-46.13	337.82	6.30	-39.83
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC#N	REAL300020283736	1	42	-1.0	-46.13	337.76	6.28	-39.85
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020283737	0	49	-1.0	-47.78	385.48	9.15	-38.63
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020283737	1	49	-1.0	-47.73	385.50	9.14	-38.59
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020283738	0	49	-1.0	-41.44	390.36	7.70	-33.74
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020283738	1	49	-1.0	-41.44	390.41	7.71	-33.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020283739	0	46	-1.0	-43.06	373.88	6.93	-36.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020283739	1	46	-1.0	-43.07	373.94	6.94	-36.13
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020283740	0	53	-1.0	-43.53	422.34	10.05	-33.48
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020283740	1	53	-1.0	-43.50	422.36	10.03	-33.47
COCCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283741	0	49	-1.0	-43.34	390.54	5.27	-38.07
COCCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283741	1	49	-1.0	-43.32	390.60	5.29	-38.03
COCCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283742	0	46	-1.0	-45.42	375.09	4.43	-40.99
COCCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283742	1	46	-1.0	-45.41	375.15	4.46	-40.95
COCCN(CCC#N)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283743	0	53	-1.0	-45.25	422.45	7.51	-37.74
COCCN(CCC#N)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283743	1	53	-1.0	-45.33	422.48	7.50	-37.83
CC(C)CCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283744	0	54	-1.0	-42.96	427.60	8.75	-34.21
CC(C)CCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283744	1	54	-1.0	-42.98	427.66	8.76	-34.22
CC(C)CCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283745	0	51	-1.0	-43.42	397.61	7.71	-35.71
CC(C)CCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283745	1	51	-1.0	-43.43	397.66	7.74	-35.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020283746	0	46	-1.0	-41.49	353.76	3.68	-37.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020283746	1	46	-1.0	-41.51	353.82	3.70	-37.81
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020283747	0	43	-1.0	-43.77	325.96	2.62	-41.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020283747	1	43	-1.0	-43.72	325.90	2.61	-41.11
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020283748	0	50	-1.0	-44.67	385.73	5.41	-39.26
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020283748	1	50	-1.0	-44.67	385.76	5.40	-39.27
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283749	0	58	-1.0	-41.99	443.08	8.79	-33.20
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283749	1	58	-1.0	-41.98	443.14	8.81	-33.17
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283750	0	55	-1.0	-44.60	424.34	8.80	-35.80
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283750	1	55	-1.0	-44.66	424.40	8.83	-35.83
CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020283751	0	52	-1.0	-40.73	399.10	9.51	-31.22
CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020283751	1	52	-1.0	-40.75	399.15	9.52	-31.23
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020283752	0	49	-1.0	-45.77	373.10	9.31	-36.46
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020283752	1	49	-1.0	-45.78	373.04	9.31	-36.47
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020283753	0	48	-1.0	-40.45	378.18	8.43	-32.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020283753	1	48	-1.0	-40.45	378.23	8.44	-32.01
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020283754	0	45	-1.0	-45.06	352.65	7.64	-37.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020283754	1	45	-1.0	-45.09	352.60	7.60	-37.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC1	REAL300020283755	0	43	-1.0	-39.85	344.62	7.00	-32.85
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC1	REAL300020283755	1	43	-1.0	-39.78	344.67	7.01	-32.77
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC1	REAL300020283756	0	47	-1.0	-41.41	371.21	9.08	-32.33
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC1	REAL300020283756	1	47	-1.0	-41.45	371.22	9.07	-32.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020283757	0	56	-1.0	-42.60	433.89	7.90	-34.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020283757	1	56	-1.0	-42.60	433.95	7.91	-34.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020283758	0	53	-1.0	-44.53	417.45	7.01	-37.52
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020283758	1	53	-1.0	-44.53	417.51	7.03	-37.50
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283759	0	54	-1.0	-43.80	423.31	9.26	-34.54
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283759	1	54	-1.0	-43.78	423.37	9.28	-34.50
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283760	0	51	-1.0	-47.63	402.08	8.52	-39.11
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283760	1	51	-1.0	-47.60	402.03	8.49	-39.11
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283761	0	54	-1.0	-47.93	413.29	10.39	-37.54
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283761	1	54	-1.0	-47.96	413.25	10.39	-37.57
CCC(CC)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283762	0	56	-1.0	-40.19	413.87	9.13	-31.06
CCC(CC)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283762	1	56	-1.0	-40.21	413.94	9.15	-31.06
CCC(CC)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283763	0	53	-1.0	-47.48	384.51	8.76	-38.72
CCC(CC)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283763	1	53	-1.0	-47.49	384.53	8.78	-38.71
CCC(CC)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283764	0	60	-1.0	-42.29	444.79	11.25	-31.04
CCC(CC)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283764	1	60	-1.0	-42.30	444.78	11.25	-31.05
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CC1	REAL300020283765	0	54	-1.0	-40.03	414.18	9.28	-30.75
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CC1	REAL300020283765	1	54	-1.0	-40.00	414.23	9.30	-30.70
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CC1	REAL300020283766	0	51	-1.0	-42.02	395.01	8.70	-33.32
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CC1	REAL300020283766	1	51	-1.0	-42.00	395.07	8.72	-33.28
CC(C)CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C)C1CC1	REAL300020283767	0	58	-1.0	-41.47	442.48	11.42	-30.05
CC(C)CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C)C1CC1	REAL300020283767	1	58	-1.0	-41.45	442.51	11.41	-30.04
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283768	0	52	-1.0	-40.42	416.75	9.23	-31.19
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283768	1	52	-1.0	-40.40	416.80	9.24	-31.16
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283769	0	49	-1.0	-44.76	383.85	8.31	-36.45
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283769	1	49	-1.0	-44.76	383.80	8.29	-36.47
CCOC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C(C)C)C=C1	REAL300020283770	0	58	-1.0	-41.73	444.78	9.23	-32.50
CCOC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C(C)C)C=C1	REAL300020283770	1	58	-1.0	-41.72	444.83	9.26	-32.46
COCCN(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283771	0	52	-1.0	-43.78	422.59	6.73	-37.05
COCCN(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283771	1	52	-1.0	-43.78	422.64	6.75	-37.03
COCCN(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283772	0	49	-1.0	-44.92	392.26	5.95	-38.97
COCCN(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283772	1	49	-1.0	-44.93	392.31	5.97	-38.96
COCCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283773	0	54	-1.0	-41.76	406.08	6.44	-35.32
COCCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283773	1	54	-1.0	-41.72	406.13	6.46	-35.26
COCCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283774	0	51	-1.0	-44.39	388.11	5.97	-38.42
COCCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283774	1	51	-1.0	-44.37	388.15	5.99	-38.38
COCCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283775	0	58	-1.0	-42.24	447.14	9.21	-33.03
COCCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283775	1	58	-1.0	-42.26	447.21	9.21	-33.05
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CCCC1	REAL300020283776	0	57	-1.0	-39.71	421.45	9.36	-30.35
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CCCC1	REAL300020283776	1	57	-1.0	-39.69	421.51	9.37	-30.32
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CCCC1	REAL300020283777	0	54	-1.0	-41.68	395.22	8.62	-33.06
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCCC1	REAL300020283777	1	54	-1.0	-41.67	395.28	8.63	-33.04
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283778	0	60	-1.0	-42.29	455.65	11.16	-31.13
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283778	1	60	-1.0	-42.31	455.71	11.17	-31.14
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283779	0	57	-1.0	-43.61	443.09	11.12	-32.49
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283779	1	57	-1.0	-43.58	443.14	11.14	-32.44
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283780	0	54	-1.0	-50.49	409.86	9.22	-41.27
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283780	1	54	-1.0	-50.40	410.04	9.22	-41.18
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283781	0	57	-1.0	-42.69	433.42	10.32	-32.37
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283781	1	57	-1.0	-42.70	433.47	10.33	-32.37
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283782	0	54	-1.0	-44.69	416.83	10.14	-34.55
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283782	1	54	-1.0	-44.71	416.77	10.12	-34.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020283783	0	55	-1.0	-47.80	414.97	9.13	-38.67
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020283783	1	55	-1.0	-47.85	415.02	9.15	-38.70
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CCCC1	REAL300020283784	0	60	-1.0	-39.61	431.59	10.12	-29.49
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CCCC1	REAL300020283784	1	60	-1.0	-39.63	431.64	10.14	-29.49
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CCCC1	REAL300020283785	0	57	-1.0	-41.83	416.88	9.12	-32.71
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCCC1	REAL300020283785	1	57	-1.0	-41.80	416.93	9.14	-32.66
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283786	0	51	-1.0	-41.12	413.22	9.09	-32.03
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283786	1	51	-1.0	-41.14	413.28	9.10	-32.04
CCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283787	0	48	-1.0	-42.53	389.72	8.55	-33.98
CCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283787	1	48	-1.0	-42.55	389.78	8.57	-33.98
COC1=CC=CC=C1CN(CCO)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283788	0	53	-1.0	-43.91	413.09	4.67	-39.24
COC1=CC=CC=C1CN(CCO)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283788	1	53	-1.0	-43.91	413.08	4.69	-39.22
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC1C	REAL300020283789	0	46	-1.0	-42.10	352.34	5.08	-37.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC1C	REAL300020283789	1	46	-1.0	-42.13	352.40	5.10	-37.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC1C	REAL300020283790	0	43	-1.0	-42.93	337.63	4.18	-38.75
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC1C	REAL300020283790	1	43	-1.0	-42.97	337.57	4.16	-38.81
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1C	REAL300020283791	0	50	-1.0	-42.88	390.97	6.85	-36.03
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1C	REAL300020283791	1	50	-1.0	-42.88	391.02	6.84	-36.04
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C(C)C	REAL300020283792	0	53	-1.0	-40.63	385.77	7.13	-33.50
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C(C)C	REAL300020283792	1	53	-1.0	-40.60	385.83	7.14	-33.46
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C(C)C	REAL300020283793	0	50	-1.0	-43.42	364.25	6.28	-37.14
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C(C)C	REAL300020283793	1	50	-1.0	-43.43	364.21	6.26	-37.17
CC(C)CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C)C(C)C	REAL300020283794	0	57	-1.0	-42.26	416.67	9.06	-33.20
CC(C)CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C)C(C)C	REAL300020283794	1	57	-1.0	-42.22	416.73	9.05	-33.17
CCC1C2=C(CCN1C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)SC=C2	REAL300020283795	0	52	-1.0	-41.78	400.86	8.44	-33.34
CCC1C2=C(CCN1C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)SC=C2	REAL300020283795	1	52	-1.0	-41.78	400.92	8.46	-33.32
CCC1C2=C(CCN1C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)SC=C2	REAL300020283796	0	49	-1.0	-44.48	373.36	7.67	-36.81
CCC1C2=C(CCN1C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)SC=C2	REAL300020283796	1	49	-1.0	-44.43	373.31	7.66	-36.77
CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283797	0	50	-1.0	-40.53	384.06	8.31	-32.22
CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283797	1	50	-1.0	-40.52	384.12	8.32	-32.20
CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283798	0	47	-1.0	-43.72	353.71	6.46	-37.26
CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283798	1	47	-1.0	-43.70	353.66	6.43	-37.27
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283799	0	54	-1.0	-42.46	415.47	9.46	-33.00
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283799	1	54	-1.0	-42.47	415.51	9.45	-33.02
CCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283800	0	50	-1.0	-40.53	373.55	8.24	-32.29
CCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283800	1	50	-1.0	-40.48	373.61	8.25	-32.23
CCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283801	0	47	-1.0	-41.64	359.22	7.40	-34.24
CCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283801	1	47	-1.0	-41.66	359.17	7.38	-34.28
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283802	0	54	-1.0	-41.79	406.29	10.31	-31.48
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283802	1	54	-1.0	-41.77	406.30	10.30	-31.47
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020283803	0	50	-1.0	-41.68	397.54	6.39	-35.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020283803	1	50	-1.0	-41.66	397.60	6.41	-35.25
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020283804	0	47	-1.0	-46.19	370.33	5.48	-40.71
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020283804	1	47	-1.0	-46.19	370.27	5.46	-40.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020283805	0	49	-1.0	-42.41	388.99	6.12	-36.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020283805	1	49	-1.0	-42.42	389.05	6.13	-36.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020283806	0	46	-1.0	-46.57	357.35	5.72	-40.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020283806	1	46	-1.0	-46.52	357.29	5.72	-40.80
C#CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CCC2=CC=CC=C21	REAL300020283807	0	54	-1.0	-42.90	429.39	10.03	-32.87
C#CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CCC2=CC=CC=C21	REAL300020283807	1	54	-1.0	-42.92	429.45	10.04	-32.88
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCC2=CC=CC=C21	REAL300020283808	0	51	-1.0	-45.19	407.85	9.21	-35.98
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CCC2=CC=CC=C21	REAL300020283808	1	51	-1.0	-45.19	407.79	9.19	-36.00
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283809	0	54	-1.0	-42.16	423.27	9.43	-32.73
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283809	1	54	-1.0	-42.20	423.33	9.45	-32.75
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283810	0	51	-1.0	-48.23	391.18	9.03	-39.20
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283810	1	51	-1.0	-48.23	391.19	9.02	-39.21
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283811	0	55	-1.0	-41.85	422.22	7.76	-34.09
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283811	1	55	-1.0	-41.86	422.27	7.77	-34.09
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283812	0	52	-1.0	-45.84	412.13	7.97	-37.87
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283812	1	52	-1.0	-45.82	412.07	7.94	-37.88
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020283813	0	51	-1.0	-46.05	427.42	7.72	-38.33
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020283813	1	51	-1.0	-46.03	427.47	7.75	-38.28
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020283814	0	58	-1.0	-43.82	421.57	7.85	-35.97
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020283814	1	58	-1.0	-43.87	421.62	7.86	-36.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020283815	0	55	-1.0	-51.55	407.38	8.14	-43.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020283815	1	55	-1.0	-51.43	406.95	8.17	-43.26
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020283816	0	58	-1.0	-39.47	436.44	10.57	-28.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020283816	1	58	-1.0	-39.41	436.49	10.59	-28.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020283817	0	55	-1.0	-43.16	410.11	10.13	-33.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020283817	1	55	-1.0	-43.18	410.16	10.16	-33.02
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283818	0	60	0.0	-63.93	443.77	9.15	-54.78
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283818	1	60	0.0	-63.95	443.83	9.16	-54.79
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283819	0	57	0.0	-62.08	413.93	8.88	-53.20
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283819	1	57	0.0	-62.09	413.98	8.90	-53.19
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283820	0	56	-1.0	-40.28	449.07	8.80	-31.48
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283820	1	56	-1.0	-40.27	449.13	8.82	-31.45
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283821	0	53	-1.0	-44.81	413.34	7.61	-37.20
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283821	1	53	-1.0	-44.83	413.30	7.59	-37.24
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020283822	0	52	-1.0	-44.84	413.76	11.28	-33.56
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020283822	1	52	-1.0	-44.86	413.82	11.29	-33.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020283823	0	49	-1.0	-46.54	385.28	8.00	-38.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020283823	1	49	-1.0	-46.61	385.22	7.97	-38.64
COCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283824	0	55	-1.0	-42.77	421.70	4.68	-38.09
COCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283824	1	55	-1.0	-42.81	421.75	4.69	-38.12
COCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283825	0	52	-1.0	-44.73	406.23	3.86	-40.87
COCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283825	1	52	-1.0	-44.75	406.29	3.88	-40.87
CCC1(CC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283826	0	60	-1.0	-39.65	423.08	9.56	-30.09
CCC1(CC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283826	1	60	-1.0	-39.62	423.13	9.58	-30.04
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283827	0	57	-1.0	-41.58	388.09	8.84	-32.74
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283827	1	57	-1.0	-41.62	388.14	8.87	-32.75
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020283828	0	58	-1.0	-39.85	438.45	11.13	-28.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020283828	1	58	-1.0	-39.86	438.51	11.15	-28.71
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020283829	0	55	-1.0	-45.55	410.87	10.53	-35.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020283829	1	55	-1.0	-45.55	410.93	10.54	-35.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020283830	0	52	-1.0	-40.65	395.97	6.42	-34.23
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020283830	1	52	-1.0	-40.68	396.03	6.43	-34.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020283831	0	49	-1.0	-46.37	368.51	5.93	-40.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020283831	1	49	-1.0	-46.41	368.54	5.94	-40.47
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020283832	0	56	-1.0	-42.44	421.82	7.90	-34.54
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020283832	1	56	-1.0	-42.39	421.85	7.89	-34.50
C=CCC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCCC1(C)C	REAL300020283833	0	58	-1.0	-40.11	422.01	9.14	-30.97
C=CCC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCCC1(C)C	REAL300020283833	1	58	-1.0	-40.06	422.06	9.16	-30.90
C=CCC1N(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCCC1(C)C	REAL300020283834	0	55	-1.0	-42.35	402.29	8.63	-33.72
C=CCC1N(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCCC1(C)C	REAL300020283834	1	55	-1.0	-42.36	402.35	8.66	-33.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020283835	0	54	-1.0	-51.60	419.74	4.69	-46.91
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020283835	1	54	-1.0	-51.61	419.80	4.70	-46.91
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020283836	0	51	-1.0	-61.18	393.89	4.79	-56.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020283836	1	51	-1.0	-61.20	393.95	4.81	-56.39
CC1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020283837	0	46	-1.0	-39.60	355.83	7.34	-32.26
CC1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020283837	1	46	-1.0	-39.64	355.89	7.35	-32.29
CC1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020283838	0	43	-1.0	-42.13	334.24	6.78	-35.35
CC1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020283838	1	43	-1.0	-42.17	334.18	6.75	-35.42
CC1=CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020283839	0	50	-1.0	-41.85	376.52	9.37	-32.48
CC1=CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020283839	1	50	-1.0	-41.85	376.55	9.37	-32.48
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020283840	0	43	-1.0	-39.34	365.44	7.60	-31.74
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020283840	1	43	-1.0	-39.36	365.50	7.62	-31.74
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020283841	0	40	-1.0	-44.09	329.35	7.12	-36.97
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020283841	1	40	-1.0	-44.07	329.40	7.12	-36.95
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283842	0	55	-1.0	-39.79	400.13	7.32	-32.47
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283842	1	55	-1.0	-39.81	400.19	7.33	-32.48
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283843	0	52	-1.0	-41.61	386.83	6.31	-35.30
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283843	1	52	-1.0	-41.63	386.88	6.34	-35.29
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020283844	0	55	-1.0	-40.73	416.83	10.16	-30.57
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020283844	1	55	-1.0	-40.74	416.89	10.17	-30.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020283845	0	52	-1.0	-43.62	393.83	9.50	-34.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020283845	1	52	-1.0	-43.64	393.88	9.52	-34.12
CC1=C(Br)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283846	0	46	-1.0	-39.55	379.84	8.15	-31.40
CC1=C(Br)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283846	1	46	-1.0	-39.59	379.90	8.16	-31.43
CC1=C(Br)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283847	0	43	-1.0	-44.01	346.80	7.64	-36.37
CC1=C(Br)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283847	1	43	-1.0	-43.99	346.85	7.65	-36.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020283848	0	46	-1.0	-42.36	367.46	5.76	-36.60
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020283848	1	46	-1.0	-42.37	367.52	5.77	-36.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020283849	0	43	-1.0	-43.92	350.26	5.14	-38.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020283849	1	43	-1.0	-43.90	350.32	5.16	-38.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020283850	0	49	-1.0	-42.51	384.25	8.14	-34.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020283850	1	49	-1.0	-42.52	384.31	8.16	-34.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020283851	0	46	-1.0	-43.33	358.79	8.12	-35.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020283851	1	46	-1.0	-43.33	358.73	8.10	-35.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020283852	0	58	-1.0	-41.48	414.15	9.57	-31.91
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020283852	1	58	-1.0	-41.47	414.21	9.59	-31.88
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020283853	0	55	-1.0	-45.92	400.60	8.88	-37.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020283853	1	55	-1.0	-45.88	400.66	8.91	-36.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020283854	0	48	-1.0	-53.43	380.86	3.74	-49.69
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020283854	1	48	-1.0	-53.41	380.92	3.75	-49.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020283855	0	45	-1.0	-48.20	364.69	2.45	-45.75
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020283855	1	45	-1.0	-48.22	364.74	2.47	-45.75
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020283856	0	55	-1.0	-42.37	431.97	5.18	-37.19
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020283856	1	55	-1.0	-42.36	432.03	5.20	-37.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020283857	0	52	-1.0	-43.64	410.68	4.40	-39.24
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020283857	1	52	-1.0	-43.67	410.74	4.43	-39.24
CCCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283858	0	50	-1.0	-39.83	389.74	7.91	-31.92
CCCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283858	1	50	-1.0	-39.85	389.79	7.92	-31.93
CCCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283859	0	47	-1.0	-44.42	360.51	7.57	-36.85
CCCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283859	1	47	-1.0	-44.43	360.45	7.56	-36.87
CCCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283860	0	54	-1.0	-42.25	411.13	9.42	-32.83
CCCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283860	1	54	-1.0	-42.21	411.15	9.39	-32.82
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283861	0	46	-1.0	-39.02	374.82	7.50	-31.52
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283861	1	46	-1.0	-38.98	374.88	7.51	-31.47
C=CCN(CC=C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283862	0	43	-1.0	-41.28	349.83	6.70	-34.58
C=CCN(CC=C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283862	1	43	-1.0	-41.26	349.77	6.68	-34.58
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283863	0	50	-1.0	-40.99	399.91	9.92	-31.07
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283863	1	50	-1.0	-41.00	399.93	9.91	-31.09
COCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283864	0	52	-1.0	-44.13	399.73	3.90	-40.23
COCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283864	1	52	-1.0	-44.09	399.78	3.91	-40.18
COCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283865	0	49	-1.0	-45.84	380.39	3.41	-42.43
COCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283865	1	49	-1.0	-45.81	380.44	3.44	-42.37
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020283866	0	52	-1.0	-40.86	401.76	5.83	-35.03
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020283866	1	52	-1.0	-40.91	401.81	5.84	-35.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020283867	0	49	-1.0	-48.08	373.06	5.15	-42.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020283867	1	49	-1.0	-48.11	373.04	5.14	-42.97
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CCCCC1	REAL300020283868	0	54	-1.0	-40.72	396.70	7.67	-33.05
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CCCCC1	REAL300020283868	1	54	-1.0	-40.79	396.76	7.69	-33.10
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CCCCC1	REAL300020283869	0	51	-1.0	-43.12	378.94	7.14	-35.98
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCCCC1	REAL300020283869	1	51	-1.0	-43.12	379.00	7.16	-35.96
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C)C1CCCCC1	REAL300020283870	0	58	-1.0	-42.37	421.91	9.79	-32.58
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C)C1CCCCC1	REAL300020283870	1	58	-1.0	-42.37	421.94	9.78	-32.59
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283871	0	51	-1.0	-39.86	398.74	8.80	-31.06
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283871	1	51	-1.0	-39.86	398.80	8.82	-31.04
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283872	0	48	-1.0	-42.27	382.09	7.87	-34.40
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283872	1	48	-1.0	-42.24	382.04	7.84	-34.40
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020283873	0	51	-1.0	-39.57	366.74	8.76	-30.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020283873	1	51	-1.0	-39.61	366.80	8.77	-30.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020283874	0	48	-1.0	-41.48	353.28	8.46	-33.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020283874	1	48	-1.0	-41.52	353.34	8.48	-33.04
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCC1	REAL300020283875	0	55	-1.0	-41.01	403.62	11.05	-29.96
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCC1	REAL300020283875	1	55	-1.0	-41.06	403.67	11.04	-30.02
CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283876	0	50	-1.0	-40.10	386.02	7.28	-32.82
CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283876	1	50	-1.0	-40.13	386.07	7.30	-32.83
CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283877	0	47	-1.0	-43.66	355.43	6.32	-37.34
CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283877	1	47	-1.0	-43.68	355.37	6.29	-37.39
CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283878	0	54	-1.0	-42.43	405.93	9.36	-33.07
CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283878	1	54	-1.0	-42.38	405.97	9.35	-33.03
CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283879	0	51	-1.0	-40.40	401.49	8.70	-31.70
CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283879	1	51	-1.0	-40.43	401.55	8.71	-31.72
CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283880	0	48	-1.0	-42.80	374.90	7.85	-34.95
CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283880	1	48	-1.0	-42.76	374.97	7.86	-34.90
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283881	0	55	-1.0	-41.48	425.70	10.76	-30.72
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283881	1	55	-1.0	-41.46	425.73	10.75	-30.71
C=C(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283882	0	48	-1.0	-39.87	372.37	7.10	-32.77
C=C(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283882	1	48	-1.0	-39.85	372.42	7.11	-32.74
C=C(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283883	0	45	-1.0	-45.83	342.92	6.52	-39.31
C=C(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283883	1	45	-1.0	-45.79	343.18	6.52	-39.27
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283884	0	52	-1.0	-41.58	401.81	8.89	-32.69
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283884	1	52	-1.0	-41.59	401.84	8.87	-32.72
COCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283885	0	55	-1.0	-40.71	423.99	8.23	-32.48
COCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283885	1	55	-1.0	-40.68	424.04	8.24	-32.44
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283886	0	52	-1.0	-43.08	401.39	7.82	-35.26
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283886	1	52	-1.0	-43.11	401.34	7.79	-35.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020283887	0	52	-1.0	-45.29	418.52	9.14	-36.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020283887	1	52	-1.0	-45.30	418.47	9.11	-36.19
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283888	0	56	-1.0	-41.82	423.16	8.20	-33.62
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283888	1	56	-1.0	-41.81	423.22	8.21	-33.60
COC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283889	0	53	-1.0	-45.00	394.29	7.73	-37.27
COC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283889	1	53	-1.0	-44.99	394.38	7.73	-37.26
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020283890	0	52	-1.0	-41.54	424.91	8.41	-33.13
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020283890	1	52	-1.0	-41.55	424.96	8.42	-33.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020283891	0	49	-1.0	-45.37	397.12	7.76	-37.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020283891	1	49	-1.0	-45.37	397.06	7.73	-37.64
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283892	0	48	-1.0	-38.77	407.79	8.51	-30.26
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283892	1	48	-1.0	-38.77	407.85	8.52	-30.25
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283893	0	45	-1.0	-40.48	391.49	8.33	-32.15
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283893	1	45	-1.0	-40.53	391.54	8.35	-32.18
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283894	0	46	-1.0	-43.59	394.57	8.19	-35.40
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283894	1	46	-1.0	-43.58	394.64	8.22	-35.36
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283895	0	49	-1.0	-39.54	405.43	8.61	-30.93
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283895	1	49	-1.0	-39.57	405.49	8.62	-30.95
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283896	0	46	-1.0	-40.47	384.49	7.86	-32.61
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283896	1	46	-1.0	-40.45	384.43	7.84	-32.61
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283897	0	54	-1.0	-42.50	431.77	8.02	-34.48
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283897	1	54	-1.0	-42.50	431.82	8.03	-34.47
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283898	0	51	-1.0	-48.96	394.88	6.92	-42.04
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283898	1	51	-1.0	-49.01	394.53	6.92	-42.09
CC1=CC=C(CC(C)N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283899	0	57	-1.0	-41.36	440.05	9.83	-31.53
CC1=CC=C(CC(C)N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283899	1	57	-1.0	-41.39	440.10	9.85	-31.54
CC1=CC=C(CC(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020283900	0	54	-1.0	-42.88	415.73	10.17	-32.71
CC1=CC=C(CC(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020283900	1	54	-1.0	-42.89	415.80	10.20	-32.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C(C)C)C=C1	REAL300020283901	0	58	-1.0	-40.53	439.15	10.33	-30.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C(C)C)C=C1	REAL300020283901	1	58	-1.0	-40.34	438.20	10.40	-29.94
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020283902	0	49	-1.0	-41.08	392.74	9.06	-32.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020283902	1	49	-1.0	-41.10	392.80	9.07	-32.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020283903	0	46	-1.0	-41.64	378.12	8.56	-33.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020283903	1	46	-1.0	-41.67	378.17	8.58	-33.09
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283904	0	50	-1.0	-54.82	400.61	3.42	-51.40
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283904	1	50	-1.0	-54.84	400.67	3.43	-51.41
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283905	0	47	-1.0	-61.65	372.15	2.93	-58.72
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283905	1	47	-1.0	-61.64	372.20	2.93	-58.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020283906	0	51	-1.0	-52.72	417.25	4.76	-47.96
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020283906	1	51	-1.0	-52.74	417.30	4.77	-47.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020283907	0	48	-1.0	-56.02	398.47	3.24	-52.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020283907	1	48	-1.0	-56.04	398.53	3.27	-52.77
CCN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283908	0	51	-1.0	-40.97	388.89	8.02	-32.95
CCN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283908	1	51	-1.0	-40.98	388.95	8.04	-32.94
CCN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283909	0	48	-1.0	-41.46	371.18	8.00	-33.46
CCN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283909	1	48	-1.0	-41.42	371.23	8.02	-33.40
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283910	0	55	-1.0	-42.20	421.23	10.23	-31.97
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283910	1	55	-1.0	-42.25	421.25	10.23	-32.02
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020283911	0	49	-1.0	-40.64	400.15	9.83	-30.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020283911	1	49	-1.0	-40.65	400.21	9.85	-30.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020283912	0	46	-1.0	-43.10	375.48	8.61	-34.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020283912	1	46	-1.0	-43.08	375.53	8.64	-34.44
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020283913	0	49	-1.0	-43.42	389.96	8.28	-35.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020283913	1	49	-1.0	-43.42	390.02	8.29	-35.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020283914	0	46	-1.0	-45.40	369.44	7.97	-37.43
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020283914	1	46	-1.0	-45.43	369.50	7.99	-37.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020283915	0	54	-1.0	-47.71	428.10	10.35	-37.36
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020283915	1	54	-1.0	-47.73	428.03	10.34	-37.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020283916	0	51	-1.0	-48.99	399.09	9.96	-39.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020283916	1	51	-1.0	-48.94	399.03	9.94	-39.00
CSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283917	0	51	-1.0	-40.21	396.78	8.69	-31.52
CSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283917	1	51	-1.0	-40.27	396.84	8.71	-31.56
CSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283918	0	48	-1.0	-41.39	382.40	7.82	-33.57
CSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283918	1	48	-1.0	-41.46	382.47	7.86	-33.60
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020283919	0	44	-1.0	-41.77	362.01	6.22	-35.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020283919	1	44	-1.0	-41.75	362.06	6.24	-35.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020283920	0	41	-1.0	-50.73	329.28	5.62	-45.11
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020283920	1	41	-1.0	-50.68	329.23	5.61	-45.07
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NOC=C1	REAL300020283921	0	48	-1.0	-45.57	387.62	8.08	-37.49
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NOC=C1	REAL300020283921	1	48	-1.0	-45.61	387.67	8.08	-37.53
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020283922	0	55	-1.0	-44.28	410.39	9.47	-34.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020283922	1	55	-1.0	-44.27	410.44	9.48	-34.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020283923	0	52	-1.0	-48.58	384.23	9.14	-39.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020283923	1	52	-1.0	-48.59	384.26	9.15	-39.44
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020283924	0	57	0.0	-65.04	407.55	8.90	-56.14
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020283924	1	57	0.0	-66.37	402.26	9.53	-56.84
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020283924	1	57	0.0	-65.08	407.61	8.92	-56.16
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020283924	1	57	0.0	-66.38	402.32	9.54	-56.84
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020283925	0	54	0.0	-66.82	381.55	6.39	-60.43
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020283925	1	54	0.0	-63.61	381.82	8.06	-55.55
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020283925	1	54	0.0	-66.82	381.61	6.42	-60.40
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020283925	1	54	0.0	-63.61	381.87	8.07	-55.54
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020283926	0	58	-1.0	-41.97	437.76	11.11	-30.86
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020283926	1	58	-1.0	-41.98	437.82	11.13	-30.85
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020283927	0	55	-1.0	-47.28	415.71	10.75	-36.53
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020283927	1	55	-1.0	-47.30	415.72	10.76	-36.54
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283928	0	55	-1.0	-40.26	424.59	9.50	-30.76
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283928	1	55	-1.0	-40.24	424.66	9.51	-30.73
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283929	0	52	-1.0	-43.09	396.57	8.64	-34.45
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283929	1	52	-1.0	-43.10	396.53	8.61	-34.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020283930	0	58	-1.0	-45.70	431.82	7.87	-37.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020283930	1	58	-1.0	-45.74	431.87	7.88	-37.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020283931	0	55	-1.0	-48.46	412.86	6.99	-41.47
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020283931	1	55	-1.0	-48.45	412.92	7.01	-41.44
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1(C)C	REAL300020283932	0	58	-1.0	-40.96	441.94	8.45	-32.51
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1(C)C	REAL300020283932	1	58	-1.0	-41.00	441.99	8.46	-32.54
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1(C)C	REAL300020283933	0	55	-1.0	-41.50	417.43	7.62	-33.88
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1(C)C	REAL300020283933	1	55	-1.0	-41.49	417.47	7.65	-33.84
CC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C2CC2)C=C1C	REAL300020283934	0	58	-1.0	-39.95	450.74	10.57	-29.38
CC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C2CC2)C=C1C	REAL300020283934	1	58	-1.0	-39.93	450.80	10.59	-29.34
CC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C2CC2)C=C1C	REAL300020283935	0	55	-1.0	-42.21	434.43	10.75	-31.46
CC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C2CC2)C=C1C	REAL300020283935	1	55	-1.0	-42.19	434.38	10.72	-31.47
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C	REAL300020283936	0	48	-1.0	-41.26	348.42	6.73	-34.53
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C	REAL300020283936	1	48	-1.0	-41.27	348.48	6.76	-34.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C	REAL300020283937	0	45	-1.0	-47.91	324.50	6.34	-41.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C	REAL300020283937	1	45	-1.0	-47.90	324.47	6.34	-41.56
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020283938	0	52	-1.0	-42.38	398.22	9.98	-32.40
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020283938	1	52	-1.0	-42.28	398.19	9.96	-32.32
CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CC(OCC)C1(C)C	REAL300020283939	0	61	-1.0	-47.30	427.21	8.47	-38.83
CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CC(OCC)C1(C)C	REAL300020283939	1	61	-1.0	-47.25	427.28	8.50	-38.75
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020283940	0	52	-1.0	-40.09	415.38	10.37	-29.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020283940	1	52	-1.0	-40.08	415.44	10.39	-29.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020283941	0	49	-1.0	-42.04	397.48	9.46	-32.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020283941	1	49	-1.0	-42.03	397.42	9.44	-32.59
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)S1	REAL300020283942	0	53	-1.0	-45.61	416.99	7.92	-37.69
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)S1	REAL300020283942	1	53	-1.0	-45.61	417.07	7.94	-37.67
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1C	REAL300020283943	0	58	-1.0	-43.86	434.58	11.87	-31.99
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1C	REAL300020283943	1	58	-1.0	-43.84	434.64	11.88	-31.96
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1C	REAL300020283944	0	55	-1.0	-43.42	417.01	10.98	-32.44
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1C	REAL300020283944	1	55	-1.0	-43.47	416.96	10.96	-32.51
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020283945	0	58	-1.0	-44.53	439.20	5.76	-38.77
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020283945	1	59	0.0	-66.89	436.90	7.98	-58.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020283945	1	58	-1.0	-44.49	439.25	5.79	-38.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020283946	0	56	-1.0	-43.70	428.06	7.35	-36.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020283946	1	56	-1.0	-43.69	428.12	7.38	-36.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020283947	0	46	-1.0	-42.43	367.62	7.77	-34.66
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020283947	1	46	-1.0	-42.42	367.68	7.78	-34.64
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020283948	0	43	-1.0	-44.90	347.32	7.50	-37.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020283948	1	43	-1.0	-44.91	347.38	7.50	-37.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020283949	0	49	-1.0	-44.51	358.37	3.92	-40.59
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020283949	1	49	-1.0	-44.51	358.43	3.94	-40.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020283950	0	46	-1.0	-44.49	366.12	3.82	-40.67
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020283950	1	46	-1.0	-44.56	366.07	3.80	-40.76
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020283951	0	53	-1.0	-45.95	421.04	7.28	-38.67
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020283951	1	53	-1.0	-45.89	421.34	7.30	-38.59
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283952	0	58	-1.0	-41.54	456.66	7.60	-33.94
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283952	1	58	-1.0	-41.56	456.72	7.61	-33.95
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283953	0	55	-1.0	-43.83	436.34	6.90	-36.93
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283953	1	55	-1.0	-43.84	436.40	6.92	-36.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020283954	0	59	0.0	-78.82	406.71	5.98	-72.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020283954	1	59	0.0	-66.15	423.18	7.33	-58.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020283954	1	59	0.0	-78.85	406.74	6.00	-72.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020283954	1	59	0.0	-66.13	423.24	7.36	-58.77
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020283955	0	53	-1.0	-41.00	393.27	9.58	-31.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020283955	1	53	-1.0	-40.96	393.33	9.59	-31.37
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020283956	0	50	-1.0	-42.34	394.72	9.67	-32.67
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020283956	1	50	-1.0	-42.34	394.66	9.64	-32.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020283957	0	52	-1.0	-42.23	389.12	8.19	-34.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020283957	1	52	-1.0	-42.21	389.19	8.20	-34.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020283958	0	49	-1.0	-42.38	381.95	8.38	-34.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020283958	1	49	-1.0	-42.39	382.00	8.40	-33.99
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020283959	0	56	-1.0	-41.50	429.00	11.11	-30.39
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020283959	1	56	-1.0	-41.46	429.04	11.10	-30.36
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020283960	0	49	-1.0	-45.28	396.89	8.80	-36.48
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020283960	1	49	-1.0	-45.27	396.95	8.83	-36.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020283961	0	58	-1.0	-48.10	426.84	9.93	-38.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020283961	1	58	-1.0	-48.12	426.90	9.94	-38.18
CCCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283962	0	54	-1.0	-41.73	435.73	9.37	-32.36
CCCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283962	1	54	-1.0	-41.73	435.78	9.39	-32.34
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283963	0	51	-1.0	-47.46	402.87	8.85	-38.61
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283963	1	51	-1.0	-47.48	402.92	8.86	-38.62
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283964	0	49	-1.0	-39.94	391.58	6.16	-33.78
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283964	1	49	-1.0	-39.92	391.64	6.18	-33.74
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283965	0	46	-1.0	-42.00	367.09	5.31	-36.69
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283965	1	46	-1.0	-42.04	367.05	5.28	-36.76
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283966	0	53	-1.0	-42.85	425.37	8.11	-34.74
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283966	1	53	-1.0	-42.83	425.38	8.10	-34.73
CCCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283967	0	60	-1.0	-40.76	439.28	9.66	-31.10
CCCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283967	1	60	-1.0	-40.73	439.34	9.68	-31.05
CCCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020283968	0	57	-1.0	-42.27	415.25	8.49	-33.78
CCCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020283968	1	57	-1.0	-42.21	415.28	8.52	-33.69
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283969	0	53	-1.0	-40.12	400.56	7.96	-32.16
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283969	1	53	-1.0	-40.09	400.62	7.97	-32.12
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283970	0	50	-1.0	-46.14	367.91	7.76	-38.38
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283970	1	50	-1.0	-46.14	367.96	7.76	-38.38
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283971	0	57	-1.0	-42.02	427.32	10.00	-32.02
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283971	1	57	-1.0	-41.97	427.40	10.00	-31.97
CC(C)CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283972	0	57	-1.0	-39.99	426.01	8.79	-31.20
CC(C)CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283972	1	57	-1.0	-40.00	426.07	8.81	-31.19
CC(C)CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283973	0	54	-1.0	-42.91	405.57	8.12	-34.79
CC(C)CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283973	1	54	-1.0	-42.92	405.62	8.15	-34.77
CCC(CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1=CC=CC=C1	REAL300020283974	0	60	-1.0	-42.76	459.66	11.58	-31.18
CCC(CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1=CC=CC=C1	REAL300020283974	1	60	-1.0	-42.75	459.72	11.60	-31.15
CCC(CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1=CC=CC=C1	REAL300020283975	0	57	-1.0	-48.82	419.84	11.90	-36.92
CCC(CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1=CC=CC=C1	REAL300020283975	1	57	-1.0	-48.80	419.88	11.91	-36.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020283976	0	55	-1.0	-49.04	422.20	6.92	-42.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020283976	1	55	-1.0	-49.02	422.25	6.93	-42.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020283977	0	52	-1.0	-51.61	386.73	7.08	-44.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020283977	1	52	-1.0	-51.61	386.78	7.12	-44.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020283978	0	57	-1.0	-41.58	424.32	9.09	-32.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020283978	1	57	-1.0	-41.65	424.38	9.11	-32.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020283979	0	54	-1.0	-44.80	400.62	8.20	-36.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020283979	1	54	-1.0	-44.79	400.68	8.23	-36.56
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1O	REAL300020283980	0	53	-1.0	-42.19	426.18	5.88	-36.31
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1O	REAL300020283980	1	53	-1.0	-42.17	426.23	5.89	-36.28
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1O	REAL300020283981	0	50	-1.0	-49.51	392.65	5.43	-44.08
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1O	REAL300020283981	1	50	-1.0	-49.52	392.69	5.43	-44.09
CCN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283982	0	52	-1.0	-42.03	394.32	6.22	-35.81
CCN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283982	1	52	-1.0	-42.01	394.38	6.24	-35.77
CCN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283983	0	49	-1.0	-46.72	368.76	4.97	-41.75
CCN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283983	1	49	-1.0	-46.69	368.82	4.99	-41.70
CCN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020283984	0	56	-1.0	-43.26	425.07	8.32	-34.94
CCN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020283984	1	56	-1.0	-43.22	425.10	8.31	-34.91
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020283985	0	46	-1.0	-41.93	345.37	6.50	-35.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020283985	1	46	-1.0	-41.91	345.43	6.52	-35.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020283986	0	43	-1.0	-44.97	329.20	5.64	-39.33
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020283986	1	43	-1.0	-45.00	329.15	5.62	-39.38
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020283987	0	50	-1.0	-43.16	373.47	8.22	-34.94
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020283987	1	50	-1.0	-43.15	373.50	8.22	-34.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020283988	0	52	-1.0	-42.46	403.40	10.03	-32.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020283988	1	52	-1.0	-42.42	403.46	10.04	-32.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020283989	0	49	-1.0	-43.56	381.94	9.26	-34.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020283989	1	49	-1.0	-43.60	381.89	9.23	-34.37
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283990	0	52	-1.0	-42.10	420.06	9.71	-32.39
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283990	1	52	-1.0	-42.15	420.11	9.72	-32.43
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283991	0	49	-1.0	-51.21	391.18	8.96	-42.25
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283991	1	49	-1.0	-51.23	391.13	8.96	-42.27
CCCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283992	0	60	-1.0	-40.70	445.89	10.85	-29.85
CCCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283992	1	60	-1.0	-40.72	445.95	10.86	-29.86
CCCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283993	0	57	-1.0	-46.62	414.03	9.59	-37.03
CCCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283993	1	57	-1.0	-46.59	414.11	9.61	-36.98
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020283994	0	56	-1.0	-44.35	419.73	8.45	-35.90
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020283994	1	56	-1.0	-44.36	419.79	8.46	-35.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020283995	0	53	-1.0	-45.67	424.27	7.22	-38.45
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020283995	1	53	-1.0	-45.66	424.32	7.25	-38.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020283996	0	53	-1.0	-42.57	414.25	10.03	-32.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020283996	1	53	-1.0	-42.59	414.31	10.05	-32.54
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020283997	0	51	-1.0	-42.85	403.88	6.54	-36.31
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020283997	1	51	-1.0	-42.88	403.82	6.52	-36.36
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020283998	0	48	-1.0	-45.04	387.26	6.34	-38.70
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020283998	1	48	-1.0	-45.06	387.20	6.31	-38.75
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)CC1	REAL300020283999	0	60	0.0	-68.62	430.66	7.14	-61.48
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)CC1	REAL300020283999	1	60	0.0	-68.65	430.71	7.15	-61.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020284000	0	46	-1.0	-40.56	368.06	8.48	-32.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020284000	1	46	-1.0	-40.58	368.11	8.50	-32.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020284001	0	43	-1.0	-42.63	341.64	7.53	-35.10
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020284001	1	43	-1.0	-42.68	341.59	7.51	-35.17
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020284002	0	50	-1.0	-42.55	401.05	10.58	-31.97
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020284002	1	50	-1.0	-42.54	401.10	10.57	-31.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020284003	0	49	-1.0	-39.54	391.23	9.20	-30.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020284003	1	49	-1.0	-39.56	391.29	9.21	-30.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020284004	0	46	-1.0	-41.98	374.82	8.17	-33.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020284004	1	46	-1.0	-41.98	374.76	8.14	-33.84
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020284005	0	49	-1.0	-41.45	396.04	9.45	-32.00
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020284005	1	49	-1.0	-41.48	396.10	9.46	-32.02
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020284006	0	46	-1.0	-41.61	381.41	8.93	-32.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020284006	1	46	-1.0	-41.58	381.47	8.96	-32.62
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020284007	0	52	-1.0	-44.34	409.19	5.68	-38.66
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020284007	1	52	-1.0	-44.35	409.25	5.70	-38.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020284008	0	49	-1.0	-44.49	386.32	5.34	-39.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020284008	1	49	-1.0	-44.52	386.26	5.32	-39.20
CCCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284009	0	58	-1.0	-42.53	420.09	7.72	-34.81
CCCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284009	1	58	-1.0	-42.53	420.14	7.73	-34.80
CCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284010	0	55	-1.0	-43.87	407.76	7.75	-36.12
CCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284010	1	55	-1.0	-43.87	407.81	7.77	-36.10
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020284011	0	49	-1.0	-48.19	399.63	2.45	-45.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020284011	1	49	-1.0	-48.17	399.69	2.48	-45.69
CCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284012	0	54	-1.0	-42.96	411.21	7.35	-35.61
CCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284012	1	54	-1.0	-42.92	411.27	7.36	-35.56
CCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284013	0	51	-1.0	-44.42	389.40	5.82	-38.60
CCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284013	1	51	-1.0	-44.39	389.46	5.85	-38.54
CCCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284014	0	58	-1.0	-43.04	448.62	8.68	-34.36
CCCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284014	1	58	-1.0	-42.99	448.68	8.67	-34.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020284015	0	58	0.0	-68.06	433.11	10.17	-57.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020284015	1	58	0.0	-72.25	426.31	8.88	-63.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020284015	1	57	-1.0	-46.69	429.66	7.36	-39.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020284015	1	57	-1.0	-46.74	429.61	7.36	-39.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020284016	0	51	-1.0	-44.44	411.69	9.98	-34.46
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020284016	1	51	-1.0	-44.42	411.74	10.00	-34.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020284017	0	48	-1.0	-46.50	386.97	8.76	-37.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020284017	1	48	-1.0	-46.54	387.03	8.79	-37.75
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020284018	0	49	-1.0	-44.00	385.65	5.35	-38.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020284018	1	49	-1.0	-43.99	385.71	5.36	-38.63
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020284019	0	46	-1.0	-44.01	357.01	4.97	-39.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020284019	1	46	-1.0	-43.96	356.95	4.94	-39.02
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020284020	0	53	-1.0	-46.92	415.78	7.86	-39.06
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020284020	1	53	-1.0	-46.89	415.81	7.85	-39.04
CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284021	0	48	-1.0	-40.40	363.57	7.08	-33.32
CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284021	1	48	-1.0	-40.40	363.62	7.10	-33.30
CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284022	0	45	-1.0	-43.13	340.82	6.51	-36.62
CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284022	1	45	-1.0	-43.11	340.77	6.48	-36.63
CCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284023	0	52	-1.0	-42.34	389.18	9.22	-33.12
CCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284023	1	52	-1.0	-42.28	389.21	9.21	-33.07
CCSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284024	0	55	-1.0	-42.15	413.46	9.74	-32.41
CCSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284024	1	55	-1.0	-42.11	413.52	9.75	-32.36
CCSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284025	0	52	-1.0	-42.18	404.61	8.97	-33.21
CCSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284025	1	52	-1.0	-42.19	404.67	8.99	-33.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020284026	0	58	0.0	-68.97	433.26	10.48	-58.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020284026	1	58	0.0	-68.72	443.56	9.58	-59.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020284026	1	57	-1.0	-44.07	430.41	7.88	-36.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020284026	1	57	-1.0	-44.10	430.46	7.89	-36.21
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284027	0	58	-1.0	-40.48	437.68	10.42	-30.06
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284027	1	58	-1.0	-40.44	437.73	10.43	-30.01
C=CCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284028	0	55	-1.0	-47.32	408.63	9.59	-37.73
C=CCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284028	1	55	-1.0	-47.32	408.64	9.60	-37.72
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284029	0	48	-1.0	-40.61	369.50	7.24	-33.37
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284029	1	48	-1.0	-40.59	369.55	7.25	-33.34
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284030	0	45	-1.0	-44.19	347.35	6.84	-37.35
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284030	1	45	-1.0	-44.17	347.30	6.82	-37.35
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284031	0	52	-1.0	-41.95	401.48	9.56	-32.39
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284031	1	52	-1.0	-41.93	401.51	9.54	-32.39
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020284032	0	52	-1.0	-42.69	408.03	5.43	-37.26
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020284032	1	52	-1.0	-42.70	408.09	5.44	-37.26
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020284033	0	49	-1.0	-44.80	392.35	4.71	-40.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020284033	1	49	-1.0	-44.82	392.41	4.75	-40.07
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020284034	0	56	-1.0	-43.88	441.62	7.04	-36.84
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020284034	1	56	-1.0	-43.88	441.66	7.03	-36.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020284035	0	49	-1.0	-41.15	389.83	9.38	-31.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020284035	1	49	-1.0	-41.11	389.89	9.40	-31.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020284036	0	46	-1.0	-43.82	365.21	8.19	-35.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020284036	1	46	-1.0	-43.83	365.15	8.17	-35.66
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020284037	0	55	-1.0	-42.03	436.30	10.71	-31.32
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020284037	1	55	-1.0	-42.06	436.36	10.73	-31.33
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020284038	0	52	-1.0	-43.45	416.39	9.87	-33.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020284038	1	52	-1.0	-43.46	416.45	9.90	-33.56
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020284039	0	50	-1.0	-53.08	392.28	4.65	-48.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020284039	1	50	-1.0	-53.07	392.34	4.67	-48.40
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020284040	0	47	-1.0	-50.01	370.54	3.76	-46.25
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020284040	1	47	-1.0	-49.98	370.60	3.79	-46.19
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020284041	0	52	-1.0	-40.21	402.21	10.06	-30.15
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020284041	1	52	-1.0	-40.15	402.27	10.08	-30.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020284042	0	49	-1.0	-43.78	368.28	8.50	-35.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020284042	1	49	-1.0	-43.78	368.22	8.48	-35.30
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020284043	0	55	-1.0	-43.27	423.76	6.11	-37.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020284043	1	55	-1.0	-43.27	423.81	6.13	-37.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020284044	0	52	-1.0	-48.92	399.39	5.93	-42.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020284044	1	52	-1.0	-48.89	399.44	5.94	-42.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020284045	0	46	-1.0	-39.39	370.72	6.23	-33.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020284045	1	46	-1.0	-39.39	370.78	6.24	-33.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020284046	0	43	-1.0	-40.97	342.56	5.69	-35.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020284046	1	43	-1.0	-40.99	342.62	5.72	-35.27
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1C	REAL300020284047	0	50	-1.0	-41.33	397.46	9.16	-32.17
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1C	REAL300020284047	1	50	-1.0	-41.33	397.51	9.15	-32.18
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020284048	0	53	-1.0	-45.09	405.48	5.63	-39.46
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020284048	1	53	-1.0	-45.08	405.54	5.65	-39.43
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020284049	0	50	-1.0	-47.64	377.92	5.54	-42.10
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020284049	1	50	-1.0	-47.65	377.87	5.52	-42.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020284050	0	50	-1.0	-47.29	384.61	6.47	-40.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020284050	1	50	-1.0	-47.27	384.58	6.46	-40.81
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020284051	0	52	-1.0	-40.48	393.63	8.42	-32.06
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020284051	1	52	-1.0	-40.52	393.68	8.43	-32.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020284052	0	49	-1.0	-43.90	371.77	7.87	-36.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020284052	1	49	-1.0	-43.88	371.83	7.89	-35.99
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020284053	0	56	-1.0	-43.74	398.10	9.56	-34.18
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020284053	1	56	-1.0	-43.73	398.14	9.55	-34.18
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284054	0	53	-1.0	-44.21	439.10	10.22	-33.99
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284054	1	53	-1.0	-44.16	439.16	10.24	-33.92
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284055	0	50	-1.0	-44.16	406.81	8.82	-35.34
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284055	1	50	-1.0	-44.12	406.76	8.79	-35.33
C#CCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284056	0	43	-1.0	-39.89	348.29	6.77	-33.12
C#CCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284056	1	43	-1.0	-39.93	348.35	6.78	-33.15
C#CCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284057	0	47	-1.0	-41.27	378.10	9.52	-31.75
C#CCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284057	1	47	-1.0	-41.29	378.14	9.51	-31.78
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284058	0	55	-1.0	-40.91	440.99	10.76	-30.15
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284058	1	55	-1.0	-40.91	441.05	10.78	-30.13
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284059	0	52	-1.0	-42.98	415.96	10.19	-32.79
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284059	1	52	-1.0	-42.98	415.90	10.17	-32.81
COCCCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284060	0	58	-1.0	-48.36	461.86	9.22	-39.14
COCCCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284060	1	58	-1.0	-48.39	461.92	9.24	-39.15
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020284061	0	58	-1.0	-39.94	448.57	11.38	-28.56
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020284061	1	58	-1.0	-39.97	448.63	11.39	-28.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020284062	0	55	-1.0	-41.87	427.12	10.62	-31.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020284062	1	55	-1.0	-41.86	427.07	10.59	-31.27
CCOCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284063	0	51	-1.0	-40.15	400.87	6.53	-33.62
CCOCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284063	1	51	-1.0	-40.18	400.92	6.54	-33.64
CCOCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284064	0	48	-1.0	-44.31	361.79	5.88	-38.43
CCOCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284064	1	48	-1.0	-44.33	361.85	5.89	-38.44
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284065	0	55	-1.0	-41.70	415.68	8.36	-33.34
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284065	1	55	-1.0	-41.68	415.71	8.34	-33.34
COC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020284066	0	53	-1.0	-42.28	412.95	8.61	-33.67
COC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020284066	1	53	-1.0	-42.25	413.00	8.63	-33.62
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020284067	0	50	-1.0	-45.60	388.32	7.42	-38.18
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020284067	1	50	-1.0	-45.58	388.26	7.40	-38.18
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284068	0	50	-1.0	-40.28	417.55	9.54	-30.74
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284068	1	50	-1.0	-40.31	417.61	9.55	-30.76
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284069	0	47	-1.0	-45.36	384.60	9.00	-36.36
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284069	1	47	-1.0	-45.37	384.54	8.99	-36.38
COCCN(CCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284070	0	58	-1.0	-45.38	453.95	8.59	-36.79
COCCN(CCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284070	1	58	-1.0	-45.34	454.01	8.62	-36.72
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CCCC1	REAL300020284071	0	51	-1.0	-39.44	377.53	7.99	-31.45
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CCCC1	REAL300020284071	1	51	-1.0	-39.45	377.59	8.00	-31.45
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCCC1	REAL300020284072	0	48	-1.0	-43.19	363.90	6.53	-36.66
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CCCC1	REAL300020284072	1	48	-1.0	-43.23	363.85	6.51	-36.72
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C)C1CCCC1	REAL300020284073	0	55	-1.0	-42.89	410.38	9.09	-33.80
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C)C1CCCC1	REAL300020284073	1	55	-1.0	-42.95	410.40	9.08	-33.87
CCOC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020284074	0	56	-1.0	-41.29	433.80	9.59	-31.70
CCOC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020284074	1	56	-1.0	-41.32	433.86	9.60	-31.72
CCOC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020284075	0	53	-1.0	-45.61	410.11	8.33	-37.28
CCOC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020284075	1	53	-1.0	-45.63	410.17	8.35	-37.28
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020284076	0	51	-1.0	-40.87	403.74	5.10	-35.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020284076	1	51	-1.0	-40.89	403.80	5.12	-35.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020284077	0	48	-1.0	-42.54	386.87	4.46	-38.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020284077	1	48	-1.0	-42.56	386.93	4.48	-38.08
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020284078	0	55	-1.0	-42.43	434.50	7.51	-34.92
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020284078	1	55	-1.0	-42.40	434.54	7.50	-34.90
COC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C2CC2)C=C1	REAL300020284079	0	56	-1.0	-40.92	436.01	9.05	-31.87
COC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C2CC2)C=C1	REAL300020284079	1	56	-1.0	-40.93	436.06	9.07	-31.86
COC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C2CC2)C=C1	REAL300020284080	0	53	-1.0	-42.37	426.88	8.74	-33.63
COC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C2CC2)C=C1	REAL300020284080	1	53	-1.0	-42.32	426.94	8.76	-33.56
CCOC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020284081	0	56	-1.0	-47.53	413.97	8.66	-38.87
CCOC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020284081	1	56	-1.0	-47.54	414.02	8.66	-38.88
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C(C)C)C=C1)C1CC1	REAL300020284082	0	58	-1.0	-41.65	457.62	11.37	-30.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C(C)C)C=C1)C1CC1	REAL300020284082	1	58	-1.0	-41.68	457.68	11.39	-30.29
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020284083	0	52	-1.0	-39.85	425.34	10.29	-29.56
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020284083	1	52	-1.0	-39.86	425.39	10.31	-29.55
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020284084	0	49	-1.0	-41.21	402.43	9.60	-31.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020284084	1	49	-1.0	-41.22	402.37	9.58	-31.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020284085	0	55	-1.0	-42.91	423.66	5.36	-37.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020284085	1	55	-1.0	-42.92	423.71	5.37	-37.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020284086	0	52	-1.0	-43.81	410.66	4.40	-39.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020284086	1	52	-1.0	-43.85	410.72	4.43	-39.42
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020284087	0	51	-1.0	-39.58	410.16	9.05	-30.53
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020284087	1	51	-1.0	-39.62	410.22	9.07	-30.55
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020284088	0	48	-1.0	-41.49	388.89	8.29	-33.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020284088	1	48	-1.0	-41.51	388.83	8.26	-33.25
CC(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284089	0	52	-1.0	-45.15	385.95	6.66	-38.49
CC(=O)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284089	1	52	-1.0	-45.18	386.01	6.67	-38.51
CC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284090	0	49	-1.0	-49.21	357.70	6.17	-43.04
CC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284090	1	49	-1.0	-49.26	357.75	6.17	-43.09
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020284091	0	52	-1.0	-41.84	408.38	10.44	-31.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020284091	1	52	-1.0	-41.84	408.44	10.45	-31.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020284092	0	49	-1.0	-46.02	371.18	8.83	-37.19
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020284092	1	49	-1.0	-46.03	371.12	8.80	-37.23
COC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020284093	0	56	-1.0	-46.12	436.85	10.51	-35.61
COC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020284093	1	56	-1.0	-46.11	436.90	10.52	-35.59
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020284094	0	53	-1.0	-51.64	408.86	9.28	-42.36
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020284094	1	53	-1.0	-51.62	408.80	9.26	-42.36
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020284095	0	46	-1.0	-39.19	378.72	8.58	-30.61
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020284095	1	46	-1.0	-39.17	378.78	8.59	-30.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020284096	0	43	-1.0	-45.33	348.32	7.06	-38.27
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020284096	1	43	-1.0	-45.36	348.27	7.04	-38.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020284097	0	51	-1.0	-41.26	407.37	9.62	-31.64
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020284097	1	51	-1.0	-41.27	407.43	9.63	-31.64
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020284098	0	48	-1.0	-45.79	381.56	9.09	-36.70
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020284098	1	48	-1.0	-45.82	381.63	9.09	-36.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020284099	0	55	-1.0	-40.70	413.32	10.34	-30.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020284099	1	55	-1.0	-40.65	413.38	10.36	-30.29
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020284100	0	52	-1.0	-46.29	366.16	7.83	-38.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020284100	1	52	-1.0	-46.27	366.10	7.85	-38.42
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020284101	0	53	-1.0	-45.97	416.78	4.55	-41.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020284101	1	53	-1.0	-46.00	416.84	4.56	-41.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020284102	0	50	-1.0	-50.51	399.38	3.36	-47.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020284102	1	50	-1.0	-50.47	399.44	3.39	-47.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020284103	0	60	-1.0	-42.26	435.78	6.62	-35.64
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020284103	1	60	-1.0	-42.29	435.84	6.64	-35.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020284103	1	61	0.0	-66.98	432.05	7.87	-59.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020284104	0	49	-1.0	-40.20	385.64	8.47	-31.73
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020284104	1	49	-1.0	-40.18	385.70	8.49	-31.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020284105	0	46	-1.0	-46.35	348.62	7.92	-38.43
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020284105	1	46	-1.0	-46.37	348.67	7.94	-38.43
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020284106	0	53	-1.0	-42.00	410.76	10.61	-31.39
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020284106	1	53	-1.0	-42.04	410.79	10.60	-31.44
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020284107	0	53	-1.0	-41.94	402.72	7.00	-34.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020284107	1	53	-1.0	-41.91	402.77	7.01	-34.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020284108	0	50	-1.0	-42.51	381.03	6.10	-36.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020284108	1	50	-1.0	-42.51	381.11	6.12	-36.39
CC1=CC=NC(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=C1	REAL300020284109	0	55	-1.0	-44.18	431.10	7.34	-36.84
CC1=CC=NC(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020284109	1	55	-1.0	-44.20	431.16	7.37	-36.83
CCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284110	0	51	-1.0	-41.55	379.53	8.12	-33.43
CCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284110	1	51	-1.0	-41.56	379.59	8.15	-33.41
CCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284111	0	48	-1.0	-42.60	362.76	7.43	-35.17
CCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284111	1	48	-1.0	-42.62	362.81	7.45	-35.17
CCC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284112	0	55	-1.0	-42.40	407.57	10.08	-32.32
CCC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284112	1	55	-1.0	-42.39	407.59	10.09	-32.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020284113	0	58	-1.0	-48.31	432.93	11.34	-36.97
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020284113	1	58	-1.0	-48.30	432.98	11.35	-36.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020284114	0	56	-1.0	-43.02	405.69	6.91	-36.11
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020284114	1	56	-1.0	-42.99	405.75	6.92	-36.07
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020284115	0	53	-1.0	-43.18	398.96	6.91	-36.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020284115	1	53	-1.0	-43.19	399.02	6.93	-36.26
COC1=CC=C(CC(C)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020284116	0	58	-1.0	-48.84	446.40	9.47	-39.37
COC1=CC=C(CC(C)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020284116	1	58	-1.0	-48.81	446.46	9.50	-39.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020284117	0	48	-1.0	-39.76	408.53	9.30	-30.46
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020284117	1	48	-1.0	-39.79	408.58	9.31	-30.48
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020284118	0	45	-1.0	-46.57	374.99	8.84	-37.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020284118	1	45	-1.0	-46.57	375.04	8.86	-37.71
CC1=CN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)S1	REAL300020284119	0	51	-1.0	-42.35	411.01	8.00	-34.35
CC1=CN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)S1	REAL300020284119	1	51	-1.0	-42.33	411.06	8.02	-34.31
CCC1=CN=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)S1	REAL300020284120	0	50	-1.0	-39.78	419.32	7.72	-32.06
CCC1=CN=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)S1	REAL300020284120	1	50	-1.0	-39.75	419.38	7.74	-32.01
CCC1=CN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)S1	REAL300020284121	0	47	-1.0	-42.47	393.18	6.95	-35.52
CCC1=CN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)S1	REAL300020284121	1	47	-1.0	-42.49	393.24	6.97	-35.52
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020284122	0	52	-1.0	-43.80	398.54	4.69	-39.11
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020284122	1	52	-1.0	-43.81	398.60	4.70	-39.11
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020284123	0	49	-1.0	-45.98	383.39	3.72	-42.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020284123	1	49	-1.0	-45.98	383.45	3.75	-42.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020284124	0	55	-1.0	-40.13	438.97	7.91	-32.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020284124	1	55	-1.0	-40.09	439.02	7.93	-32.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020284125	0	52	-1.0	-45.43	406.28	7.40	-38.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020284125	1	52	-1.0	-45.41	406.34	7.42	-37.99
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020284126	0	58	-1.0	-47.15	443.36	8.02	-39.13
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020284126	1	58	-1.0	-47.17	443.41	8.03	-39.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020284127	0	55	-1.0	-51.88	415.79	7.57	-44.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020284127	1	55	-1.0	-51.87	415.84	7.58	-44.29
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020284128	0	48	-1.0	-40.05	408.78	8.94	-31.11
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020284128	1	48	-1.0	-40.08	408.84	8.96	-31.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020284129	0	45	-1.0	-41.24	378.15	8.11	-33.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020284129	1	45	-1.0	-41.29	378.21	8.14	-33.15
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC(C)O1	REAL300020284130	0	53	-1.0	-40.65	412.17	5.88	-34.77
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC(C)O1	REAL300020284130	1	53	-1.0	-40.64	412.23	5.89	-34.75
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC(C)O1	REAL300020284131	0	50	-1.0	-41.89	390.66	5.09	-36.80
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC(C)O1	REAL300020284131	1	50	-1.0	-41.85	390.72	5.11	-36.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020284132	0	49	-1.0	-45.28	399.33	5.96	-39.32
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020284132	1	49	-1.0	-45.28	399.38	5.97	-39.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020284133	0	46	-1.0	-47.05	377.19	5.20	-41.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020284133	1	46	-1.0	-47.06	377.25	5.24	-41.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020284134	0	49	-1.0	-52.89	376.82	3.52	-49.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020284134	1	49	-1.0	-52.92	376.87	3.53	-49.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020284135	0	46	-1.0	-55.90	358.76	2.89	-53.01
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020284135	1	46	-1.0	-55.91	358.82	2.92	-52.99
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020284136	0	53	-1.0	-54.16	405.11	5.59	-48.57
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020284136	1	53	-1.0	-54.14	405.14	5.58	-48.56
COC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284137	0	51	-1.0	-45.49	396.10	7.57	-37.92
COC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284137	1	51	-1.0	-45.51	396.15	7.59	-37.92
COC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284138	0	48	-1.0	-44.65	379.35	6.87	-37.78
COC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284138	1	48	-1.0	-44.64	379.41	6.89	-37.75
COCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284139	0	55	-1.0	-40.57	411.15	7.41	-33.16
COCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284139	1	55	-1.0	-40.55	411.21	7.43	-33.12
COCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284140	0	52	-1.0	-43.62	382.55	6.33	-37.29
COCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284140	1	52	-1.0	-43.63	382.60	6.36	-37.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020284141	0	53	-1.0	-39.88	410.76	7.98	-31.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020284141	1	53	-1.0	-39.84	410.82	8.00	-31.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020284142	0	50	-1.0	-43.69	377.11	7.07	-36.62
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020284142	1	50	-1.0	-43.67	377.16	7.10	-36.57
CC1=CC=C(F)C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020284143	0	51	-1.0	-40.36	413.14	9.47	-30.89
CC1=CC=C(F)C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020284143	1	51	-1.0	-40.33	413.20	9.49	-30.84
CC1=CC=C(F)C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020284144	0	48	-1.0	-49.72	381.12	9.04	-40.68
CC1=CC=C(F)C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020284144	1	48	-1.0	-49.71	381.10	9.05	-40.66
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020284145	0	49	-1.0	-40.35	385.66	6.24	-34.11
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020284145	1	49	-1.0	-40.33	385.72	6.25	-34.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020284146	0	46	-1.0	-42.13	364.48	5.45	-36.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020284146	1	46	-1.0	-42.16	364.53	5.48	-36.68
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020284147	0	53	-1.0	-41.99	412.08	8.23	-33.76
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020284147	1	53	-1.0	-42.05	412.12	8.22	-33.83
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284148	0	54	-1.0	-45.36	431.14	8.67	-36.69
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284148	1	54	-1.0	-45.40	431.20	8.68	-36.72
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284149	0	51	-1.0	-52.54	397.59	8.22	-44.32
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284149	1	51	-1.0	-52.58	397.49	8.24	-44.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020284150	0	52	-1.0	-39.52	376.47	6.22	-33.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020284150	1	52	-1.0	-39.53	376.53	6.24	-33.29
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020284151	0	49	-1.0	-41.89	377.95	6.30	-35.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020284151	1	49	-1.0	-41.92	378.00	6.32	-35.60
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020284152	0	56	-1.0	-42.37	431.52	9.13	-33.24
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020284152	1	56	-1.0	-42.28	431.57	9.12	-33.16
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020284153	0	51	-1.0	-39.40	407.39	9.43	-29.97
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020284153	1	51	-1.0	-39.41	407.45	9.45	-29.96
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020284154	0	48	-1.0	-41.77	385.80	8.70	-33.07
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020284154	1	48	-1.0	-41.77	385.74	8.68	-33.09
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020284155	0	56	-1.0	-42.42	430.33	9.19	-33.23
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020284155	1	56	-1.0	-42.41	430.39	9.21	-33.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020284156	0	53	-1.0	-45.37	413.86	8.95	-36.42
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020284156	1	53	-1.0	-45.34	413.90	8.97	-36.37
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC(C)O1	REAL300020284157	0	52	-1.0	-39.72	399.92	7.23	-32.49
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC(C)O1	REAL300020284157	1	52	-1.0	-39.72	399.97	7.24	-32.48
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC(C)O1	REAL300020284158	0	49	-1.0	-41.67	377.82	6.65	-35.02
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC(C)O1	REAL300020284158	1	49	-1.0	-41.70	377.88	6.68	-35.02
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC(C)O1	REAL300020284159	0	56	-1.0	-42.20	425.38	9.16	-33.04
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC(C)O1	REAL300020284159	1	56	-1.0	-42.14	425.45	9.16	-32.98
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020284160	0	56	-1.0	-46.91	432.07	9.98	-36.93
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020284160	1	56	-1.0	-46.88	432.12	9.98	-36.90
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020284161	0	44	-1.0	-41.28	366.32	6.98	-34.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020284161	1	44	-1.0	-41.27	366.38	6.99	-34.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020284162	0	41	-1.0	-43.82	345.71	6.14	-37.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020284162	1	41	-1.0	-43.83	345.77	6.17	-37.66
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(F)(F)F	REAL300020284163	0	48	-1.0	-44.02	394.41	9.22	-34.80
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(F)(F)F	REAL300020284163	1	48	-1.0	-44.01	394.44	9.22	-34.79
CCC1=NC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=CS1	REAL300020284164	0	50	-1.0	-41.27	406.78	7.62	-33.65
CCC1=NC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=CS1	REAL300020284164	1	50	-1.0	-41.30	406.83	7.63	-33.67
CCC1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=CS1	REAL300020284165	0	47	-1.0	-49.51	381.16	6.79	-42.72
CCC1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=CS1	REAL300020284165	1	47	-1.0	-49.55	381.20	6.79	-42.76
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020284166	0	44	-1.0	-41.79	371.69	5.85	-35.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020284166	1	44	-1.0	-41.81	371.72	5.86	-35.95
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020284167	0	41	-1.0	-45.54	345.06	4.97	-40.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020284167	1	41	-1.0	-45.49	345.00	4.94	-40.55
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CSC=N1	REAL300020284168	0	48	-1.0	-44.09	396.91	7.78	-36.31
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CSC=N1	REAL300020284168	1	48	-1.0	-44.09	396.95	7.78	-36.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020284169	0	53	-1.0	-52.29	415.21	4.44	-47.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020284169	1	53	-1.0	-52.25	415.26	4.45	-47.80
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020284170	0	54	-1.0	-40.02	404.90	8.42	-31.60
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020284170	1	54	-1.0	-40.04	404.95	8.44	-31.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020284171	0	51	-1.0	-42.90	373.58	7.62	-35.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020284171	1	51	-1.0	-42.92	373.64	7.64	-35.28
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020284172	0	58	-1.0	-42.34	423.46	10.55	-31.79
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020284172	1	58	-1.0	-42.29	423.49	10.54	-31.75
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020284173	0	54	-1.0	-42.16	376.75	8.09	-34.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020284173	1	54	-1.0	-42.16	376.81	8.11	-34.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020284174	0	51	-1.0	-46.64	367.13	8.38	-38.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020284174	1	51	-1.0	-46.64	367.18	8.38	-38.26
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020284175	0	58	-1.0	-43.03	409.59	10.17	-32.86
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020284175	1	58	-1.0	-42.97	409.63	10.15	-32.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020284176	0	54	-1.0	-41.00	410.99	5.32	-35.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020284176	1	54	-1.0	-41.04	411.05	5.33	-35.71
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020284177	0	51	-1.0	-42.07	393.30	4.95	-37.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020284177	1	51	-1.0	-42.08	393.36	4.97	-37.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020284178	0	57	-1.0	-40.96	417.48	7.30	-33.66
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020284178	1	57	-1.0	-40.99	417.54	7.31	-33.68
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020284179	0	54	-1.0	-42.24	406.31	5.86	-36.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020284179	1	54	-1.0	-42.29	406.37	5.88	-36.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020284180	0	57	-1.0	-47.05	434.14	9.55	-37.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020284180	1	57	-1.0	-47.00	434.20	9.56	-37.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020284181	0	50	-1.0	-45.93	400.35	8.17	-37.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020284181	1	50	-1.0	-46.00	400.41	8.18	-37.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020284182	0	61	-1.0	-40.81	428.78	10.60	-30.21
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020284182	1	61	-1.0	-40.80	428.83	10.62	-30.18
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020284183	0	58	-1.0	-47.76	387.35	9.17	-38.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020284183	1	58	-1.0	-47.70	387.42	9.17	-38.53
CCC1(CC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCS1	REAL300020284184	0	55	-1.0	-38.86	415.57	9.59	-29.27
CCC1(CC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCS1	REAL300020284184	1	55	-1.0	-38.89	415.63	9.60	-29.29
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCS1	REAL300020284185	0	52	-1.0	-44.74	388.92	9.05	-35.69
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCS1	REAL300020284185	1	52	-1.0	-44.74	388.98	9.06	-35.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020284186	0	54	-1.0	-40.03	412.89	7.69	-32.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020284186	1	54	-1.0	-40.07	412.95	7.70	-32.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020284187	0	51	-1.0	-43.33	383.14	7.05	-36.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020284187	1	51	-1.0	-43.32	383.19	7.06	-36.26
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020284188	0	49	-1.0	-39.83	381.43	8.64	-31.19
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020284188	1	49	-1.0	-39.79	381.49	8.66	-31.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020284189	0	46	-1.0	-42.08	362.41	7.68	-34.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020284189	1	46	-1.0	-42.08	362.47	7.70	-34.38
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020284190	0	53	-1.0	-41.94	416.62	10.61	-31.33
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020284190	1	53	-1.0	-41.94	416.68	10.62	-31.32
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284191	0	57	-1.0	-40.58	401.07	8.91	-31.67
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284191	1	57	-1.0	-40.56	401.13	8.92	-31.64
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284192	0	54	-1.0	-42.09	386.45	8.40	-33.69
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284192	1	54	-1.0	-42.14	386.51	8.43	-33.71
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020284193	0	51	-1.0	-52.65	398.99	6.73	-45.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020284193	1	51	-1.0	-52.60	399.06	6.75	-45.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020284194	0	57	-1.0	-40.08	406.11	8.91	-31.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020284194	1	57	-1.0	-40.10	406.17	8.93	-31.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020284195	0	54	-1.0	-41.69	395.13	8.08	-33.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020284195	1	54	-1.0	-41.66	395.19	8.10	-33.56
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284196	0	54	-1.0	-41.61	405.80	9.69	-31.92
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284196	1	54	-1.0	-41.63	405.86	9.71	-31.92
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284197	0	51	-1.0	-44.17	384.38	8.49	-35.68
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284197	1	51	-1.0	-44.17	384.44	8.51	-35.66
CC(C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284198	0	58	-1.0	-42.00	434.60	10.87	-31.13
CC(C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284198	1	58	-1.0	-41.93	434.65	10.86	-31.07
COCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284199	0	56	-1.0	-41.20	437.90	6.39	-34.81
COCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284199	1	56	-1.0	-41.20	437.96	6.40	-34.80
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284200	0	53	-1.0	-44.29	414.40	5.99	-38.30
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284200	1	53	-1.0	-44.29	414.46	6.01	-38.28
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284201	0	49	-1.0	-41.47	380.39	6.79	-34.68
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284201	1	49	-1.0	-41.48	380.44	6.80	-34.68
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284202	0	46	-1.0	-45.79	355.31	5.60	-40.19
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284202	1	46	-1.0	-45.75	355.37	5.60	-40.15
COCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284203	0	53	-1.0	-42.17	410.56	7.90	-34.27
COCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284203	1	53	-1.0	-42.17	410.61	7.89	-34.28
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284204	0	54	-1.0	-41.62	392.98	8.47	-33.15
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284204	1	54	-1.0	-41.60	393.04	8.49	-33.11
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284205	0	51	-1.0	-43.55	378.92	7.55	-36.00
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284205	1	51	-1.0	-43.52	378.98	7.58	-35.94
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284206	0	58	-1.0	-42.00	422.97	10.47	-31.53
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284206	1	58	-1.0	-42.04	423.08	10.46	-31.58
COC(=O)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284207	0	57	-1.0	-43.80	444.46	9.21	-34.59
COC(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284207	1	57	-1.0	-43.85	444.52	9.23	-34.62
COC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284208	0	54	-1.0	-45.41	418.27	8.59	-36.82
COC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284208	1	54	-1.0	-45.42	418.33	8.61	-36.81
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020284209	0	56	-1.0	-41.84	435.10	9.24	-32.60
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020284209	1	56	-1.0	-41.86	435.15	9.25	-32.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020284210	0	53	-1.0	-48.23	400.60	8.73	-39.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020284210	1	53	-1.0	-48.20	400.65	8.74	-39.46
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284211	0	49	-1.0	-39.34	383.41	8.29	-31.05
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284211	1	49	-1.0	-39.32	383.47	8.30	-31.02
C=CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284212	0	46	-1.0	-42.45	363.06	7.60	-34.85
C=CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284212	1	46	-1.0	-42.43	363.01	7.58	-34.85
C=CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020284213	0	53	-1.0	-41.28	410.10	10.52	-30.76
C=CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020284213	1	53	-1.0	-41.30	410.15	10.51	-30.79
CCCC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284214	0	58	-1.0	-46.49	452.04	7.05	-39.44
CCCC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284214	1	58	-1.0	-46.50	452.10	7.07	-39.43
CCCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284215	0	55	-1.0	-50.07	431.11	6.34	-43.73
CCCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284215	1	55	-1.0	-50.02	431.17	6.37	-43.65
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020284216	0	58	-1.0	-46.07	448.29	6.98	-39.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020284216	1	58	-1.0	-46.08	448.35	7.00	-39.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020284217	0	55	-1.0	-48.30	426.07	6.57	-41.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020284217	1	55	-1.0	-48.32	426.12	6.58	-41.74
COCC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284218	0	56	-1.0	-49.18	442.74	5.66	-43.52
COCC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284218	1	56	-1.0	-49.18	442.80	5.67	-43.51
COCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284219	0	53	-1.0	-52.80	416.55	5.03	-47.77
COCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284219	1	53	-1.0	-52.80	416.60	5.05	-47.75
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020284220	0	56	-1.0	-49.91	439.76	6.88	-43.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020284220	1	56	-1.0	-49.97	439.82	6.91	-43.06
CC(=O)NCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284221	0	55	-1.0	-48.64	423.83	6.35	-42.29
CC(=O)NCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284221	1	55	-1.0	-48.61	423.88	6.36	-42.25
CC(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284222	0	52	-1.0	-51.11	408.65	5.38	-45.73
CC(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284222	1	52	-1.0	-51.10	408.70	5.40	-45.70
CC(=O)NCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284223	0	55	-1.0	-45.21	430.10	6.20	-39.01
CC(=O)NCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284223	1	55	-1.0	-45.23	430.15	6.21	-39.02
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284224	0	52	-1.0	-47.62	409.16	5.49	-42.13
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284224	1	52	-1.0	-47.58	409.23	5.51	-42.07
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020284225	0	56	-1.0	-44.89	424.00	5.30	-39.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020284225	1	56	-1.0	-44.91	424.06	5.33	-39.58
CCOCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284226	0	57	-1.0	-41.76	439.87	5.56	-36.20
CCOCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284226	1	57	-1.0	-41.79	439.93	5.57	-36.22
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284226	1	58	0.0	-66.31	441.17	7.94	-58.37
CCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284227	0	54	-1.0	-45.26	419.23	4.68	-40.58
CCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284227	1	54	-1.0	-45.29	419.30	4.70	-40.59
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284227	1	55	0.0	-63.60	419.89	7.13	-56.47
CC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1	REAL300020284228	0	57	-1.0	-40.60	442.32	8.73	-31.87
CC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020284228	1	57	-1.0	-40.65	442.37	8.74	-31.91
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1	REAL300020284229	0	54	-1.0	-42.28	418.17	8.14	-34.14
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020284229	1	54	-1.0	-42.24	418.22	8.17	-34.07
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284230	0	48	-1.0	-42.02	373.43	8.91	-33.11
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284230	1	48	-1.0	-41.93	373.47	8.90	-33.03
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020284231	0	58	0.0	-67.36	429.31	9.28	-58.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020284231	1	58	0.0	-67.35	429.37	9.30	-58.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020284232	0	55	0.0	-65.93	401.95	8.65	-57.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020284232	1	55	0.0	-65.94	402.00	8.67	-57.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020284233	0	51	-1.0	-40.44	389.41	6.34	-34.10
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020284233	1	51	-1.0	-40.41	389.47	6.36	-34.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020284233	1	52	0.0	-66.18	388.63	8.50	-57.68
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020284234	0	48	-1.0	-45.85	361.02	5.50	-40.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020284234	1	48	-1.0	-45.88	360.93	5.49	-40.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020284234	1	49	0.0	-62.14	377.88	7.68	-54.46
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020284235	0	55	-1.0	-41.70	425.14	8.01	-33.69
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020284235	1	56	0.0	-69.32	426.42	10.67	-58.65
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020284235	1	55	-1.0	-41.70	425.22	8.00	-33.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020284236	0	49	-1.0	-41.51	378.35	6.32	-35.19
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020284236	1	49	-1.0	-41.49	378.41	6.33	-35.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020284237	0	46	-1.0	-48.21	352.28	5.75	-42.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020284237	1	46	-1.0	-48.24	352.35	5.75	-42.49
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020284238	0	53	-1.0	-42.78	409.78	8.36	-34.42
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020284238	1	53	-1.0	-42.74	409.82	8.36	-34.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020284239	0	58	-1.0	-44.60	430.33	7.60	-37.00
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020284239	1	58	-1.0	-44.58	430.39	7.62	-36.96
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020284240	0	55	-1.0	-47.72	399.37	7.06	-40.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020284240	1	55	-1.0	-47.75	399.42	7.07	-40.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020284241	0	51	-1.0	-44.23	415.22	7.28	-36.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020284241	1	51	-1.0	-44.23	415.16	7.25	-36.98
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020284242	0	45	-1.0	-41.00	363.90	7.29	-33.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020284242	1	45	-1.0	-41.01	363.95	7.31	-33.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020284243	0	42	-1.0	-43.33	327.91	6.36	-36.97
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020284243	1	42	-1.0	-43.33	327.96	6.39	-36.94
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020284244	0	49	-1.0	-42.89	389.63	9.54	-33.35
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020284244	1	49	-1.0	-42.90	389.66	9.53	-33.37
CC1=CC=C(C)C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=C1	REAL300020284245	0	57	-1.0	-41.83	442.61	9.32	-32.51
CC1=CC=C(C)C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020284245	1	57	-1.0	-41.84	442.67	9.35	-32.49
COCC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284246	0	53	-1.0	-47.62	419.43	6.23	-41.39
COCC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284246	1	53	-1.0	-47.65	419.49	6.24	-41.41
COCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284247	0	50	-1.0	-50.81	397.47	5.37	-45.44
COCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284247	1	50	-1.0	-50.86	397.52	5.40	-45.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020284248	0	52	-1.0	-48.58	413.80	7.03	-41.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020284248	1	52	-1.0	-48.54	413.74	7.01	-41.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020284249	0	54	-1.0	-46.00	428.76	7.57	-38.43
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020284249	1	54	-1.0	-45.99	428.81	7.59	-38.40
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020284250	0	51	-1.0	-39.36	407.41	9.45	-29.91
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020284250	1	51	-1.0	-39.38	407.46	9.46	-29.92
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020284251	0	48	-1.0	-42.63	380.60	8.63	-34.00
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020284251	1	48	-1.0	-42.61	380.54	8.60	-34.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020284252	0	48	-1.0	-40.51	398.64	8.86	-31.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020284252	1	48	-1.0	-40.53	398.69	8.87	-31.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020284253	0	45	-1.0	-47.43	365.10	8.42	-39.01
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020284253	1	45	-1.0	-47.39	365.15	8.41	-38.98
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020284254	0	42	-1.0	-46.84	355.34	7.19	-39.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020284254	1	42	-1.0	-46.81	355.39	7.20	-39.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020284255	0	49	-1.0	-44.77	398.88	9.27	-35.50
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020284255	1	49	-1.0	-44.78	398.93	9.28	-35.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020284256	0	46	-1.0	-46.96	373.30	8.67	-38.29
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020284256	1	46	-1.0	-46.94	373.24	8.67	-38.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020284257	0	49	-1.0	-41.77	406.71	9.17	-32.60
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020284257	1	49	-1.0	-41.75	406.77	9.19	-32.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020284258	0	46	-1.0	-47.08	374.07	8.71	-38.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020284258	1	46	-1.0	-47.02	374.03	8.70	-38.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020284259	0	57	-1.0	-39.60	426.94	9.30	-30.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020284259	1	57	-1.0	-39.63	427.00	9.32	-30.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020284260	0	54	-1.0	-42.77	402.07	8.49	-34.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020284260	1	54	-1.0	-42.73	402.13	8.53	-34.20
CSC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284261	0	52	-1.0	-41.26	413.06	9.63	-31.63
CSC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284261	1	52	-1.0	-41.28	413.11	9.65	-31.63
CSC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284262	0	49	-1.0	-44.87	403.34	8.97	-35.90
CSC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284262	1	49	-1.0	-44.89	403.28	8.95	-35.94
CC(C)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284263	0	57	-1.0	-40.65	429.02	9.63	-31.02
CC(C)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284263	1	57	-1.0	-40.63	429.07	9.65	-30.98
CC(C)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284264	0	54	-1.0	-46.87	396.71	9.23	-37.64
CC(C)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284264	1	54	-1.0	-46.93	396.78	9.23	-37.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020284265	0	55	-1.0	-44.20	411.37	7.25	-36.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020284265	1	55	-1.0	-44.22	411.43	7.27	-36.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020284266	0	52	-1.0	-42.46	403.40	6.68	-35.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020284266	1	52	-1.0	-42.51	403.44	6.71	-35.80
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020284267	0	52	-1.0	-43.90	406.18	6.18	-37.72
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020284267	1	52	-1.0	-43.88	406.12	6.17	-37.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020284268	0	49	-1.0	-45.09	393.12	5.63	-39.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020284268	1	49	-1.0	-45.09	393.05	5.61	-39.48
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020284269	0	52	-1.0	-39.88	419.41	9.70	-30.18
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020284269	1	52	-1.0	-39.87	419.46	9.70	-30.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020284270	0	49	-1.0	-42.46	397.88	8.90	-33.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020284270	1	49	-1.0	-42.48	397.94	8.92	-33.56
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020284271	0	52	-1.0	-41.02	423.93	10.06	-30.96
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020284271	1	52	-1.0	-40.98	423.99	10.07	-30.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020284272	0	49	-1.0	-43.42	401.01	9.50	-33.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020284272	1	49	-1.0	-43.39	400.91	9.47	-33.92
CCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284273	0	47	-1.0	-40.48	359.98	6.59	-33.89
CCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284273	1	47	-1.0	-40.46	360.04	6.61	-33.85
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284274	0	51	-1.0	-42.22	390.04	8.70	-33.52
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284274	1	51	-1.0	-42.18	390.08	8.68	-33.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020284275	0	56	-1.0	-46.67	436.57	7.23	-39.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020284275	1	56	-1.0	-46.67	436.62	7.24	-39.43
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020284276	0	53	-1.0	-48.32	417.04	6.66	-41.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020284276	1	53	-1.0	-48.31	417.09	6.68	-41.63
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@@H]1OC	REAL300020284277	0	50	-1.0	-44.64	390.63	5.37	-39.27
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1OC	REAL300020284277	1	50	-1.0	-44.61	390.68	5.39	-39.22
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@@H]1OC	REAL300020284278	0	47	-1.0	-46.76	372.57	4.73	-42.03
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1OC	REAL300020284278	1	47	-1.0	-46.73	372.63	4.75	-41.98
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C[C@@H]1OC	REAL300020284279	0	54	-1.0	-45.51	421.63	7.53	-37.98
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C[C@@H]1OC	REAL300020284279	1	54	-1.0	-45.49	421.68	7.51	-37.98
CCOC(C)C1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020284280	0	53	-1.0	-45.89	422.22	4.74	-41.15
CCOC(C)C1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020284280	1	53	-1.0	-45.90	421.90	4.76	-41.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020284281	0	56	-1.0	-44.97	424.39	7.82	-37.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020284281	1	56	-1.0	-44.92	424.44	7.84	-37.08
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284282	0	60	0.0	-68.18	438.91	9.70	-58.48
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284282	1	60	0.0	-69.79	436.19	9.47	-60.32
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284282	1	60	0.0	-68.16	438.96	9.72	-58.44
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284282	1	60	0.0	-69.80	436.25	9.49	-60.31
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284283	0	57	0.0	-67.04	422.39	9.13	-57.91
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284283	1	57	0.0	-72.48	413.45	9.13	-63.35
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284283	1	57	0.0	-67.04	422.44	9.16	-57.88
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284283	1	57	0.0	-72.52	413.52	9.14	-63.38
COCCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284284	0	56	-1.0	-43.67	422.73	5.47	-38.20
COCCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284284	1	56	-1.0	-43.69	422.78	5.48	-38.21
COCCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284285	0	53	-1.0	-44.10	416.23	5.50	-38.60
COCCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284285	1	53	-1.0	-44.16	416.29	5.53	-38.63
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020284286	0	61	-1.0	-40.41	424.33	11.02	-29.39
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020284286	1	61	-1.0	-40.43	424.39	11.04	-29.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020284287	0	58	-1.0	-44.26	403.61	10.21	-34.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020284287	1	58	-1.0	-44.24	403.64	10.21	-34.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020284288	0	53	-1.0	-42.58	426.64	10.40	-32.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020284288	1	53	-1.0	-42.58	426.71	10.41	-32.17
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284289	0	58	-1.0	-40.04	444.87	11.13	-28.91
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284289	1	58	-1.0	-40.01	444.93	11.14	-28.87
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284290	0	55	-1.0	-42.75	423.37	10.33	-32.42
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284290	1	55	-1.0	-42.73	423.43	10.36	-32.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020284291	0	54	-1.0	-45.26	425.78	8.63	-36.63
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020284291	1	54	-1.0	-45.25	425.84	8.65	-36.60
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020284292	0	56	-1.0	-51.23	420.50	7.43	-43.80
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020284292	1	56	-1.0	-51.23	420.56	7.44	-43.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020284293	0	53	-1.0	-57.30	397.22	6.99	-50.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020284293	1	53	-1.0	-57.33	397.27	6.99	-50.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020284294	0	54	-1.0	-40.02	413.47	6.88	-33.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020284294	1	54	-1.0	-39.98	413.53	6.90	-33.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020284295	0	51	-1.0	-42.39	389.82	6.43	-35.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020284295	1	51	-1.0	-42.40	389.87	6.46	-35.94
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC(C)(C)C	REAL300020284296	0	58	-1.0	-42.26	444.31	9.28	-32.98
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC(C)(C)C	REAL300020284296	1	58	-1.0	-42.22	444.35	9.27	-32.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020284297	0	50	-1.0	-44.39	403.78	7.87	-36.52
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020284297	1	50	-1.0	-44.33	403.84	7.90	-36.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020284298	0	59	-1.0	-40.63	401.85	8.32	-32.31
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020284298	1	59	-1.0	-40.63	401.90	8.33	-32.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020284299	0	56	-1.0	-41.99	407.65	8.16	-33.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020284299	1	56	-1.0	-42.02	407.71	8.19	-33.83
CCCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284300	0	58	-1.0	-43.28	451.10	6.91	-36.37
CCCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284300	1	58	-1.0	-43.28	451.16	6.92	-36.36
CCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284301	0	55	-1.0	-45.56	430.18	6.20	-39.36
CCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284301	1	55	-1.0	-45.59	430.24	6.22	-39.37
CNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284302	0	52	-1.0	-50.15	408.52	5.60	-44.55
CNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284302	1	52	-1.0	-50.14	408.58	5.62	-44.52
CNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284303	0	49	-1.0	-50.83	386.75	4.49	-46.34
CNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284303	1	49	-1.0	-50.85	386.81	4.52	-46.33
CC(=O)NCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284304	0	53	-1.0	-46.12	400.71	3.00	-43.12
CC(=O)NCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284304	1	53	-1.0	-46.07	400.77	3.01	-43.06
CC(=O)NCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284305	0	50	-1.0	-49.75	401.76	3.03	-46.72
CC(=O)NCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284305	1	50	-1.0	-49.73	401.82	3.05	-46.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020284306	0	53	-1.0	-45.16	401.74	5.09	-40.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020284306	1	53	-1.0	-45.18	401.79	5.10	-40.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020284307	0	50	-1.0	-48.91	385.36	4.21	-44.70
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020284307	1	50	-1.0	-48.88	385.42	4.24	-44.64
CNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284308	0	51	-1.0	-47.34	402.27	4.89	-42.45
CNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284308	1	51	-1.0	-47.33	402.33	4.90	-42.43
CNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284309	0	48	-1.0	-48.98	378.78	4.12	-44.86
CNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284309	1	48	-1.0	-48.96	378.84	4.15	-44.81
CNC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284310	0	55	-1.0	-47.79	426.74	6.01	-41.78
CNC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284310	1	55	-1.0	-47.78	426.80	6.03	-41.75
CNC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284311	0	52	-1.0	-51.84	405.81	5.30	-46.54
CNC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284311	1	52	-1.0	-51.79	405.87	5.33	-46.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020284312	0	55	-1.0	-46.81	412.06	5.78	-41.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020284312	1	55	-1.0	-46.82	412.12	5.80	-41.02
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020284313	0	57	-1.0	-53.09	423.31	6.51	-46.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020284313	1	57	-1.0	-53.09	423.37	6.51	-46.58
CNC(=O)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284314	0	51	-1.0	-45.69	397.28	5.04	-40.65
CNC(=O)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284314	1	51	-1.0	-45.76	397.34	5.06	-40.70
CNC(=O)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284315	0	48	-1.0	-50.31	378.93	4.40	-45.91
CNC(=O)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284315	1	48	-1.0	-50.36	379.03	4.41	-45.95
CNC(=O)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284316	0	55	-1.0	-46.69	429.39	7.05	-39.64
CNC(=O)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284316	1	55	-1.0	-46.67	429.42	7.04	-39.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020284317	0	51	-1.0	-44.32	405.80	4.10	-40.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020284317	1	51	-1.0	-44.28	405.85	4.12	-40.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020284318	0	58	-1.0	-49.25	445.48	7.15	-42.10
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020284318	1	58	-1.0	-49.21	445.54	7.16	-42.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020284319	0	55	-1.0	-49.12	436.13	6.26	-42.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020284319	1	55	-1.0	-49.18	436.20	6.27	-42.91
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020284320	0	55	-1.0	-45.93	431.75	5.90	-40.03
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020284320	1	55	-1.0	-45.95	431.80	5.92	-40.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020284321	0	52	-1.0	-47.86	407.01	4.55	-43.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020284321	1	52	-1.0	-47.86	407.07	4.57	-43.29
CNC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284322	0	52	-1.0	-53.29	403.68	5.25	-48.04
CNC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284322	1	52	-1.0	-53.29	403.74	5.27	-48.02
CNC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284323	0	49	-1.0	-57.35	383.72	4.28	-53.07
CNC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284323	1	49	-1.0	-57.43	383.79	4.29	-53.14
CNC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284324	0	50	-1.0	-48.35	389.28	4.16	-44.19
CNC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284324	1	50	-1.0	-48.31	389.33	4.17	-44.14
CNC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284325	0	47	-1.0	-48.75	354.78	2.78	-45.97
CNC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284325	1	47	-1.0	-48.75	354.83	2.80	-45.95
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284326	0	51	-1.0	-50.48	393.52	5.37	-45.11
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284326	1	51	-1.0	-50.48	393.57	5.38	-45.10
CNC(=O)C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284327	0	48	-1.0	-49.98	383.20	4.26	-45.72
CNC(=O)C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284327	1	48	-1.0	-50.02	383.25	4.28	-45.74
CNC(=O)C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284328	0	55	-1.0	-48.81	424.66	7.40	-41.41
CNC(=O)C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284328	1	55	-1.0	-48.81	424.67	7.40	-41.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020284329	0	51	-1.0	-48.86	393.03	4.44	-44.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020284329	1	51	-1.0	-48.88	393.08	4.46	-44.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020284330	0	48	-1.0	-54.58	367.51	4.01	-50.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020284330	1	48	-1.0	-54.60	367.55	4.00	-50.60
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020284331	0	49	-1.0	-45.72	386.91	3.78	-41.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020284331	1	49	-1.0	-45.73	386.96	3.80	-41.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020284332	0	46	-1.0	-50.23	354.22	3.64	-46.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020284332	1	46	-1.0	-50.21	354.32	3.65	-46.56
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020284333	0	51	-1.0	-50.39	389.67	3.31	-47.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020284333	1	51	-1.0	-50.37	389.73	3.33	-47.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020284334	0	48	-1.0	-50.83	359.71	2.70	-48.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020284334	1	48	-1.0	-50.78	359.75	2.71	-48.07
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020284335	0	54	-1.0	-42.75	424.58	5.49	-37.26
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020284335	1	54	-1.0	-42.77	424.64	5.50	-37.27
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020284336	0	51	-1.0	-44.86	406.73	4.82	-40.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020284336	1	51	-1.0	-44.87	406.78	4.84	-40.03
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020284337	0	51	-1.0	-46.45	393.01	4.58	-41.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020284337	1	51	-1.0	-46.45	393.07	4.60	-41.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020284338	0	48	-1.0	-45.19	381.85	3.66	-41.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020284338	1	48	-1.0	-45.24	381.91	3.69	-41.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020284339	0	48	-1.0	-39.81	385.83	8.12	-31.69
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020284339	1	48	-1.0	-39.80	385.89	8.14	-31.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020284340	0	45	-1.0	-44.66	359.40	7.68	-36.98
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020284340	1	45	-1.0	-44.72	359.44	7.68	-37.04
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020284341	0	42	-1.0	-42.55	340.61	6.76	-35.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020284341	1	42	-1.0	-42.55	340.66	6.77	-35.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020284342	0	39	-1.0	-43.54	320.74	5.80	-37.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020284342	1	39	-1.0	-43.51	320.80	5.81	-37.70
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020284343	0	46	-1.0	-44.47	368.26	8.77	-35.70
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020284343	1	46	-1.0	-44.43	368.27	8.78	-35.65
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020284344	0	57	0.0	-70.72	426.03	7.50	-63.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020284344	1	57	0.0	-70.75	426.09	7.51	-63.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020284345	0	54	0.0	-70.35	404.95	6.75	-63.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020284345	1	54	0.0	-70.39	405.01	6.75	-63.64
CCC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284346	0	52	-1.0	-44.74	406.71	6.84	-37.90
CCC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284346	1	52	-1.0	-44.77	406.76	6.86	-37.91
CCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284347	0	49	-1.0	-52.73	371.68	6.30	-46.43
CCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284347	1	49	-1.0	-52.73	371.70	6.31	-46.42
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020284348	0	54	-1.0	-40.97	419.13	4.27	-36.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020284348	1	54	-1.0	-40.96	419.18	4.29	-36.67
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020284349	0	51	-1.0	-42.79	395.16	3.53	-39.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020284349	1	51	-1.0	-42.81	395.21	3.56	-39.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020284350	0	50	-1.0	-48.66	380.13	7.30	-41.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020284350	1	50	-1.0	-48.68	380.18	7.32	-41.36
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020284351	0	50	-1.0	-45.43	405.69	8.03	-37.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020284351	1	50	-1.0	-45.41	405.74	8.05	-37.36
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020284352	0	51	-1.0	-39.81	386.80	8.05	-31.76
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020284352	1	51	-1.0	-39.84	386.86	8.07	-31.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020284353	0	48	-1.0	-41.82	363.27	7.25	-34.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020284353	1	48	-1.0	-41.82	363.33	7.27	-34.55
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020284354	0	55	-1.0	-41.48	410.70	10.22	-31.26
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020284354	1	55	-1.0	-41.49	409.95	10.31	-31.18
CCOC(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284355	0	56	-1.0	-46.44	431.82	7.61	-38.83
CCOC(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284355	1	56	-1.0	-46.51	431.87	7.62	-38.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020284356	0	54	-1.0	-43.16	421.60	10.35	-32.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020284356	1	54	-1.0	-43.14	421.65	10.37	-32.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020284357	0	51	-1.0	-42.88	404.15	9.51	-33.37
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020284357	1	51	-1.0	-42.86	404.21	9.54	-33.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020284358	0	57	-1.0	-43.01	438.99	9.10	-33.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020284358	1	57	-1.0	-43.03	439.05	9.12	-33.91
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020284359	0	45	-1.0	-47.17	369.48	3.30	-43.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020284359	1	45	-1.0	-47.21	369.53	3.32	-43.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020284360	0	42	-1.0	-52.74	337.27	2.84	-49.90
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020284360	1	42	-1.0	-52.76	337.37	2.85	-49.91
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)S1	REAL300020284361	0	48	-1.0	-40.39	390.22	8.83	-31.56
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)S1	REAL300020284361	1	48	-1.0	-40.38	390.28	8.85	-31.53
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)S1	REAL300020284362	0	45	-1.0	-46.46	365.70	8.30	-38.16
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)S1	REAL300020284362	1	45	-1.0	-46.37	366.00	8.28	-38.09
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)SC=N1	REAL300020284363	0	47	-1.0	-40.76	385.52	6.35	-34.41
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)SC=N1	REAL300020284363	1	47	-1.0	-40.76	385.58	6.36	-34.40
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)SC=N1	REAL300020284364	0	44	-1.0	-45.78	350.58	5.80	-39.98
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)SC=N1	REAL300020284364	1	44	-1.0	-45.78	350.65	5.81	-39.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020284365	0	46	-1.0	-39.68	354.54	6.86	-32.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020284365	1	46	-1.0	-39.72	354.60	6.87	-32.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020284366	0	43	-1.0	-44.80	326.97	6.27	-38.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020284366	1	43	-1.0	-44.88	327.01	6.27	-38.61
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)C1	REAL300020284367	0	50	-1.0	-40.96	400.94	9.82	-31.14
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)C1	REAL300020284367	1	50	-1.0	-40.93	400.95	9.81	-31.12
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020284368	0	48	-1.0	-41.23	398.24	9.19	-32.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020284368	1	48	-1.0	-41.20	398.29	9.20	-32.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020284369	0	45	-1.0	-42.21	376.78	8.43	-33.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020284369	1	45	-1.0	-42.23	376.72	8.40	-33.83
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1OC	REAL300020284370	0	53	-1.0	-45.36	416.77	7.13	-38.23
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1OC	REAL300020284370	1	53	-1.0	-45.44	416.82	7.15	-38.29
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C(OC)=C1	REAL300020284371	0	53	-1.0	-50.20	414.75	7.00	-43.20
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C(OC)=C1	REAL300020284371	1	53	-1.0	-50.20	414.84	7.02	-43.18
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)O1	REAL300020284372	0	48	-1.0	-39.80	390.32	7.84	-31.96
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)O1	REAL300020284372	1	48	-1.0	-39.79	390.38	7.85	-31.94
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)O1	REAL300020284373	0	45	-1.0	-41.73	368.89	7.08	-34.65
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)O1	REAL300020284373	1	45	-1.0	-41.73	368.83	7.06	-34.67
CC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)O1	REAL300020284374	0	52	-1.0	-41.74	416.26	10.09	-31.65
CC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)O1	REAL300020284374	1	52	-1.0	-41.71	416.31	10.08	-31.63
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020284375	0	48	-1.0	-42.82	393.73	9.19	-33.63
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020284375	1	48	-1.0	-42.82	393.79	9.20	-33.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020284376	0	45	-1.0	-43.95	381.18	8.41	-35.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020284376	1	45	-1.0	-44.02	381.24	8.43	-35.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020284377	0	48	-1.0	-40.56	403.06	9.01	-31.55
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020284377	1	48	-1.0	-40.58	403.12	9.03	-31.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020284378	0	54	-1.0	-56.91	406.77	6.68	-50.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020284378	1	54	-1.0	-56.94	406.80	6.67	-50.27
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020284379	0	53	-1.0	-46.59	421.52	7.87	-38.72
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020284379	1	53	-1.0	-46.57	421.58	7.90	-38.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020284380	0	48	-1.0	-39.15	403.64	9.32	-29.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020284380	1	48	-1.0	-39.18	403.70	9.34	-29.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020284381	0	45	-1.0	-41.14	375.86	8.46	-32.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020284381	1	45	-1.0	-41.15	375.91	8.48	-32.67
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020284382	0	45	-1.0	-46.10	384.31	9.26	-36.84
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020284382	1	45	-1.0	-46.06	384.37	9.26	-36.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020284383	0	49	-1.0	-44.54	398.15	8.84	-35.70
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020284383	1	49	-1.0	-44.54	398.01	8.87	-35.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020284384	0	49	-1.0	-51.13	379.93	3.81	-47.32
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020284384	1	49	-1.0	-51.12	379.98	3.83	-47.29
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020284385	0	46	-1.0	-54.56	352.36	2.86	-51.70
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020284385	1	46	-1.0	-54.51	352.42	2.89	-51.62
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020284386	0	53	-1.0	-52.25	419.37	5.80	-46.45
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020284386	1	53	-1.0	-52.24	419.42	5.78	-46.46
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020284387	0	45	-1.0	-40.97	360.27	7.13	-33.84
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020284387	1	45	-1.0	-40.95	360.33	7.14	-33.81
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020284388	0	42	-1.0	-41.63	342.09	6.47	-35.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020284388	1	42	-1.0	-41.62	342.03	6.44	-35.18
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CO1	REAL300020284389	0	49	-1.0	-41.83	394.36	9.28	-32.55
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CO1	REAL300020284389	1	49	-1.0	-41.80	394.40	9.26	-32.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020284390	0	54	-1.0	-42.13	430.50	7.93	-34.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020284390	1	54	-1.0	-42.16	430.56	7.95	-34.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020284391	0	51	-1.0	-47.64	396.89	7.44	-40.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020284391	1	51	-1.0	-47.68	396.95	7.45	-40.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020284392	0	57	0.0	-66.76	425.73	9.11	-57.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020284392	1	57	0.0	-66.73	425.79	9.12	-57.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020284393	0	54	0.0	-63.52	398.44	8.47	-55.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020284393	1	54	0.0	-63.52	398.38	8.44	-55.08
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020284394	0	55	-1.0	-40.70	395.21	8.79	-31.91
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020284394	1	55	-1.0	-40.71	395.27	8.81	-31.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020284395	0	52	-1.0	-41.94	385.39	8.84	-33.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020284395	1	52	-1.0	-41.94	385.45	8.86	-33.08
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020284396	0	58	-1.0	-40.55	440.22	6.10	-34.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020284396	1	58	-1.0	-40.52	440.27	6.13	-34.39
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020284396	1	59	0.0	-67.91	436.60	8.15	-59.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020284397	0	55	-1.0	-46.66	407.51	5.56	-41.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020284397	1	55	-1.0	-46.69	407.55	5.59	-41.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020284397	1	56	0.0	-68.97	411.75	7.52	-61.45
CC1=CC=CC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=C1	REAL300020284398	0	57	-1.0	-47.04	432.96	8.50	-38.54
CC1=CC=CC(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020284398	1	58	0.0	-68.69	446.60	10.53	-58.16
CC1=CC=CC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020284398	1	57	-1.0	-47.07	432.99	8.52	-38.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020284399	0	52	-1.0	-45.00	423.51	5.58	-39.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020284399	1	52	-1.0	-45.06	423.57	5.60	-39.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020284400	0	49	-1.0	-45.71	398.86	4.79	-40.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020284400	1	49	-1.0	-45.71	398.91	4.81	-40.90
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284401	0	60	0.0	-65.75	435.27	9.23	-56.52
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284401	1	60	0.0	-65.77	435.32	9.24	-56.53
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284402	0	57	0.0	-65.06	408.55	8.56	-56.50
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284402	1	57	0.0	-65.08	408.61	8.59	-56.49
CC1=CC=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1	REAL300020284403	0	56	-1.0	-41.84	431.34	9.62	-32.22
CC1=CC=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020284403	1	56	-1.0	-41.86	431.39	9.65	-32.21
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284404	0	51	-1.0	-39.73	387.61	8.46	-31.27
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284404	1	51	-1.0	-39.77	387.67	8.47	-31.30
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284405	0	48	-1.0	-43.16	365.50	8.02	-35.14
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284405	1	48	-1.0	-43.15	365.55	8.04	-35.11
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020284406	0	55	-1.0	-41.46	421.87	10.76	-30.70
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020284406	1	55	-1.0	-41.48	421.90	10.75	-30.73
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020284407	0	48	-1.0	-46.29	391.39	6.83	-39.46
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020284407	1	48	-1.0	-46.31	391.33	6.81	-39.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020284408	0	45	-1.0	-49.85	360.90	6.46	-43.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020284408	1	45	-1.0	-49.82	360.84	6.46	-43.36
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1C=CC=N1	REAL300020284409	0	52	-1.0	-47.90	414.37	9.12	-38.78
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1C=CC=N1	REAL300020284409	1	52	-1.0	-47.91	414.32	9.12	-38.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020284410	0	59	0.0	-69.89	437.90	7.85	-62.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020284410	1	59	0.0	-69.84	437.95	7.88	-61.96
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284411	0	52	-1.0	-40.42	397.93	6.88	-33.54
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284411	1	52	-1.0	-40.42	397.99	6.89	-33.53
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284412	0	49	-1.0	-41.55	384.76	6.06	-35.49
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284412	1	49	-1.0	-41.51	384.82	6.08	-35.43
COCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284413	0	56	-1.0	-40.92	431.05	8.61	-32.31
COCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284413	1	56	-1.0	-40.92	431.06	8.61	-32.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020284414	0	58	-1.0	-41.54	412.38	10.22	-31.32
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020284414	1	58	-1.0	-41.54	412.44	10.23	-31.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020284415	0	55	-1.0	-41.95	401.93	9.34	-32.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020284415	1	55	-1.0	-41.95	401.99	9.36	-32.59
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020284416	0	55	0.0	-64.71	412.69	9.13	-55.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020284416	1	54	-1.0	-39.84	407.73	6.92	-32.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020284416	1	54	-1.0	-39.82	407.79	6.93	-32.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020284417	0	52	0.0	-61.49	388.66	8.32	-53.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020284417	1	52	0.0	-61.51	388.72	8.34	-53.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020284417	1	51	-1.0	-41.55	391.64	5.98	-35.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020284417	1	51	-1.0	-41.60	391.70	6.00	-35.60
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020284418	0	54	-1.0	-43.96	428.83	5.93	-38.03
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020284418	1	54	-1.0	-44.00	428.77	5.92	-38.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020284419	0	51	-1.0	-47.78	391.39	4.94	-42.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020284419	1	51	-1.0	-47.76	391.34	4.92	-42.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020284420	0	61	0.0	-62.80	432.41	9.77	-53.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020284420	1	61	0.0	-62.75	432.47	9.79	-52.96
CCOCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284421	0	55	-1.0	-41.38	414.74	7.89	-33.49
CCOCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284421	1	55	-1.0	-41.37	414.77	7.90	-33.47
CCOCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284422	0	52	-1.0	-43.87	392.23	6.90	-36.97
CCOCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284422	1	52	-1.0	-43.89	392.28	6.92	-36.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020284423	0	49	-1.0	-50.16	394.70	2.10	-48.06
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020284423	1	49	-1.0	-50.16	394.76	2.11	-48.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020284424	0	46	-1.0	-51.72	384.62	1.15	-50.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020284424	1	46	-1.0	-51.74	384.67	1.17	-50.57
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020284425	0	58	-1.0	-42.24	422.19	10.48	-31.76
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020284425	1	58	-1.0	-42.22	422.25	10.49	-31.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020284426	0	55	-1.0	-47.73	389.75	9.77	-37.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020284426	1	55	-1.0	-47.77	389.79	9.78	-37.99
CCN1C=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=N1	REAL300020284427	0	51	-1.0	-42.32	410.90	7.40	-34.92
CCN1C=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=N1	REAL300020284427	1	51	-1.0	-42.33	410.85	7.38	-34.95
CCN1C=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=N1	REAL300020284428	0	48	-1.0	-46.98	377.32	6.93	-40.05
CCN1C=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=N1	REAL300020284428	1	48	-1.0	-46.94	377.27	6.92	-40.02
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020284429	0	51	-1.0	-40.50	380.58	8.69	-31.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020284429	1	51	-1.0	-40.49	380.64	8.71	-31.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020284430	0	48	-1.0	-47.05	339.16	7.25	-39.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020284430	1	48	-1.0	-47.08	339.21	7.26	-39.82
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020284431	0	55	-1.0	-42.52	401.80	9.81	-32.71
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020284431	1	55	-1.0	-42.54	401.81	9.80	-32.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020284432	0	55	-1.0	-42.01	430.47	10.62	-31.39
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020284432	1	55	-1.0	-41.98	430.52	10.64	-31.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020284433	0	52	-1.0	-46.77	405.77	10.20	-36.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020284433	1	52	-1.0	-46.71	405.67	10.21	-36.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020284434	0	50	-1.0	-44.95	380.75	6.32	-38.63
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020284434	1	50	-1.0	-44.89	380.81	6.34	-38.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020284435	0	47	-1.0	-50.04	366.47	5.65	-44.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020284435	1	47	-1.0	-50.05	366.53	5.68	-44.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020284436	0	52	-1.0	-44.05	412.72	6.93	-37.12
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020284436	1	52	-1.0	-44.00	412.66	6.92	-37.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020284437	0	49	-1.0	-44.62	396.07	5.87	-38.75
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020284437	1	49	-1.0	-44.59	396.01	5.85	-38.74
COC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284438	0	51	-1.0	-46.68	399.24	7.87	-38.81
COC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284438	1	51	-1.0	-46.69	399.29	7.88	-38.81
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284439	0	48	-1.0	-47.28	386.72	6.99	-40.29
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284439	1	48	-1.0	-47.29	386.77	7.01	-40.28
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020284440	0	56	-1.0	-41.37	425.82	8.63	-32.74
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020284440	1	56	-1.0	-41.37	425.88	8.64	-32.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020284441	0	53	-1.0	-42.72	424.51	8.54	-34.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020284441	1	53	-1.0	-42.72	424.57	8.56	-34.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020284442	0	56	-1.0	-43.55	443.21	9.31	-34.24
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020284442	1	56	-1.0	-43.56	443.26	9.34	-34.22
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020284443	0	52	-1.0	-41.79	396.78	6.69	-35.10
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020284443	1	52	-1.0	-41.79	396.83	6.70	-35.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020284444	0	49	-1.0	-45.32	369.37	6.17	-39.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020284444	1	49	-1.0	-45.27	369.43	6.18	-39.09
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020284445	0	55	-1.0	-40.52	409.33	7.56	-32.96
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020284445	1	55	-1.0	-40.53	409.39	7.57	-32.96
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020284446	0	52	-1.0	-41.22	392.85	6.83	-34.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020284446	1	52	-1.0	-41.23	392.91	6.86	-34.37
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020284447	0	56	-1.0	-42.60	418.24	8.09	-34.51
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020284447	1	56	-1.0	-42.64	418.28	8.11	-34.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020284448	0	53	-1.0	-42.26	405.81	7.27	-34.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020284448	1	53	-1.0	-42.25	405.85	7.29	-34.96
COC(=O)CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284449	0	52	-1.0	-44.53	399.53	6.12	-38.41
COC(=O)CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284449	1	52	-1.0	-44.53	399.59	6.13	-38.40
COC(=O)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284450	0	49	-1.0	-48.70	385.25	6.37	-42.33
COC(=O)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284450	1	49	-1.0	-48.69	385.33	6.37	-42.32
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284451	0	55	-1.0	-40.04	437.66	10.59	-29.45
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284451	1	55	-1.0	-40.02	437.72	10.61	-29.41
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284452	0	52	-1.0	-41.76	412.90	9.82	-31.94
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284452	1	52	-1.0	-41.79	412.95	9.84	-31.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020284453	0	49	-1.0	-47.09	390.54	8.13	-38.96
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020284453	1	49	-1.0	-47.10	390.60	8.15	-38.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020284454	0	46	-1.0	-50.30	369.61	7.42	-42.88
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020284454	1	46	-1.0	-50.31	369.66	7.45	-42.86
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020284455	0	53	-1.0	-49.51	426.58	10.36	-39.15
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020284455	1	53	-1.0	-49.46	426.77	10.34	-39.12
CCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284456	0	54	-1.0	-40.21	403.43	9.00	-31.21
CCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284456	1	54	-1.0	-40.16	403.48	9.02	-31.14
CCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284457	0	51	-1.0	-43.10	380.08	8.20	-34.90
CCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284457	1	51	-1.0	-43.10	380.14	8.23	-34.87
CCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284458	0	58	-1.0	-41.78	426.55	11.21	-30.57
CCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284458	1	58	-1.0	-41.78	426.60	11.19	-30.59
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020284459	0	54	-1.0	-40.68	432.78	10.41	-30.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020284459	1	54	-1.0	-40.64	432.84	10.42	-30.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020284460	0	51	-1.0	-46.37	395.54	10.04	-36.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020284460	1	51	-1.0	-46.38	395.59	10.04	-36.34
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284461	0	51	-1.0	-41.27	405.00	7.78	-33.49
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284461	1	51	-1.0	-41.26	405.06	7.79	-33.47
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284462	0	48	-1.0	-44.30	380.98	7.38	-36.92
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284462	1	48	-1.0	-44.27	381.03	7.40	-36.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020284463	0	55	-1.0	-39.45	410.81	9.97	-29.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020284463	1	55	-1.0	-39.47	410.87	9.98	-29.49
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020284464	0	52	-1.0	-47.59	379.67	9.35	-38.24
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020284464	1	52	-1.0	-47.57	379.74	9.36	-38.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020284465	0	46	-1.0	-42.53	369.69	5.11	-37.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020284465	1	46	-1.0	-42.50	369.75	5.12	-37.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020284466	0	43	-1.0	-45.78	333.72	4.64	-41.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020284466	1	43	-1.0	-45.74	333.67	4.63	-41.11
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020284467	0	50	-1.0	-44.36	398.93	7.19	-37.17
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020284467	1	50	-1.0	-44.26	398.98	7.17	-37.09
CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284468	0	52	-1.0	-41.74	401.35	7.27	-34.47
CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284468	1	52	-1.0	-41.75	401.41	7.28	-34.47
CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284469	0	49	-1.0	-44.11	383.36	6.31	-37.80
CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284469	1	49	-1.0	-44.06	383.42	6.34	-37.72
CCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284470	0	56	-1.0	-43.76	437.95	9.12	-34.64
CCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284470	1	56	-1.0	-43.77	438.02	9.11	-34.66
COC1=CC=C(Cl)C=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284471	0	49	-1.0	-42.69	404.28	8.05	-34.64
COC1=CC=C(Cl)C=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284471	1	49	-1.0	-42.69	404.33	8.07	-34.62
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020284472	0	55	0.0	-67.69	420.75	9.21	-58.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020284472	1	55	0.0	-67.71	420.81	9.23	-58.48
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020284473	0	52	0.0	-65.42	397.72	8.46	-56.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020284473	1	52	0.0	-65.45	397.78	8.50	-56.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020284474	0	49	-1.0	-46.44	402.93	6.78	-39.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020284474	1	49	-1.0	-46.46	402.99	6.80	-39.66
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020284475	0	62	-1.0	-39.80	438.68	11.15	-28.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020284475	1	62	-1.0	-39.87	438.74	11.17	-28.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020284476	0	59	-1.0	-42.15	407.48	9.19	-32.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020284476	1	59	-1.0	-42.08	407.53	9.21	-32.87
CC1=NOC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284477	0	50	-1.0	-40.29	399.29	7.22	-33.07
CC1=NOC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284477	1	50	-1.0	-40.28	399.35	7.23	-33.05
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284478	0	47	-1.0	-41.24	370.49	6.49	-34.75
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284478	1	47	-1.0	-41.25	370.54	6.52	-34.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020284479	0	50	-1.0	-46.74	406.23	9.63	-37.11
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020284479	1	50	-1.0	-46.73	406.29	9.64	-37.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020284480	0	47	-1.0	-57.16	377.82	8.72	-48.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020284480	1	47	-1.0	-57.13	377.75	8.71	-48.42
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020284481	0	54	-1.0	-42.22	440.61	9.43	-32.79
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020284481	1	54	-1.0	-42.21	440.67	9.44	-32.77
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020284482	0	51	-1.0	-43.06	419.12	8.67	-34.39
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020284482	1	51	-1.0	-43.09	419.18	8.70	-34.39
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020284483	0	56	-1.0	-41.93	430.25	9.39	-32.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020284483	1	56	-1.0	-41.95	430.30	9.40	-32.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020284484	0	53	-1.0	-42.72	416.77	8.80	-33.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020284484	1	53	-1.0	-42.72	416.84	8.81	-33.91
CCS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284485	0	54	-1.0	-48.84	430.61	5.34	-43.50
CCS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284485	1	54	-1.0	-48.86	430.67	5.36	-43.50
CCS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284486	0	51	-1.0	-50.33	407.11	4.95	-45.38
CCS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284486	1	51	-1.0	-50.32	407.16	4.96	-45.36
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020284487	0	47	-1.0	-42.47	392.89	6.74	-35.73
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020284487	1	47	-1.0	-42.48	392.95	6.75	-35.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020284488	0	44	-1.0	-44.26	371.42	5.95	-38.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020284488	1	44	-1.0	-44.24	371.48	5.97	-38.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020284489	0	51	-1.0	-41.68	422.06	10.02	-31.66
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020284489	1	51	-1.0	-41.66	422.12	10.03	-31.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020284490	0	48	-1.0	-43.73	404.51	9.37	-34.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020284490	1	48	-1.0	-43.72	404.57	9.40	-34.32
CCOC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284491	0	57	-1.0	-41.37	434.07	8.97	-32.40
CCOC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284491	1	57	-1.0	-41.36	434.13	8.98	-32.38
CCOC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284492	0	54	-1.0	-41.81	418.33	8.38	-33.43
CCOC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284492	1	54	-1.0	-41.77	418.39	8.41	-33.36
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020284493	0	58	-1.0	-40.79	452.19	9.86	-30.93
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020284493	1	58	-1.0	-40.82	452.24	9.87	-30.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020284494	0	55	-1.0	-46.28	422.19	9.15	-37.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020284494	1	55	-1.0	-46.33	422.24	9.16	-37.17
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020284495	0	49	-1.0	-42.52	397.34	10.00	-32.52
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020284495	1	49	-1.0	-42.55	397.40	10.01	-32.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020284496	0	46	-1.0	-48.47	367.99	8.81	-39.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020284496	1	46	-1.0	-48.46	367.95	8.79	-39.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020284497	0	53	-1.0	-42.35	377.07	5.81	-36.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020284497	1	53	-1.0	-42.34	377.13	5.83	-36.51
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020284498	0	50	-1.0	-49.52	353.97	5.21	-44.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020284498	1	50	-1.0	-49.53	354.01	5.21	-44.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020284499	0	60	-1.0	-42.07	442.93	5.92	-36.15
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020284499	1	60	-1.0	-42.06	442.99	5.93	-36.13
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020284499	1	61	0.0	-65.95	446.25	8.05	-57.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020284499	1	61	0.0	-66.38	452.61	7.95	-58.43
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020284500	0	57	-1.0	-41.87	429.55	5.03	-36.84
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020284500	1	57	-1.0	-41.84	429.60	5.05	-36.79
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020284500	1	58	0.0	-61.12	431.21	7.17	-53.95
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020284500	1	58	0.0	-63.31	426.27	7.36	-55.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020284501	0	58	-1.0	-41.82	422.53	4.92	-36.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020284501	1	58	-1.0	-41.81	422.59	4.94	-36.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020284501	1	59	0.0	-64.21	432.53	7.37	-56.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020284502	0	55	-1.0	-44.42	397.00	5.02	-39.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020284502	1	55	-1.0	-44.43	397.06	5.05	-39.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020284502	1	56	0.0	-59.11	408.14	6.73	-52.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(C)C)C1	REAL300020284503	0	52	-1.0	-38.97	401.65	8.83	-30.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020284503	1	52	-1.0	-38.90	401.71	8.84	-30.06
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(C)C)C1	REAL300020284504	0	49	-1.0	-40.26	384.08	7.85	-32.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020284504	1	49	-1.0	-40.25	384.13	7.88	-32.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020284505	0	55	-1.0	-46.18	431.18	8.66	-37.52
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020284505	1	55	-1.0	-46.18	431.12	8.64	-37.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020284506	0	52	-1.0	-49.10	410.21	7.95	-41.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020284506	1	52	-1.0	-49.07	410.16	7.93	-41.14
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCC1C1=CC=CC=C1	REAL300020284507	0	58	-1.0	-43.67	416.79	10.40	-33.27
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCC1C1=CC=CC=C1	REAL300020284507	1	58	-1.0	-43.67	416.84	10.42	-33.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020284508	0	50	-1.0	-41.72	392.25	5.03	-36.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020284508	1	50	-1.0	-41.73	392.31	5.06	-36.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020284509	0	53	-1.0	-47.46	421.01	4.31	-43.15
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020284509	1	53	-1.0	-47.51	421.07	4.33	-43.18
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020284510	0	50	-1.0	-48.40	394.81	3.69	-44.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020284510	1	50	-1.0	-48.40	394.87	3.71	-44.69
COC(=O)C1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284511	0	48	-1.0	-45.14	382.84	7.11	-38.03
COC(=O)C1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284511	1	48	-1.0	-45.15	382.90	7.13	-38.02
COC(=O)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284512	0	45	-1.0	-50.97	356.31	6.53	-44.44
COC(=O)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284512	1	45	-1.0	-50.96	356.22	6.53	-44.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020284513	0	56	-1.0	-40.14	415.13	8.50	-31.64
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020284513	1	56	-1.0	-40.13	415.18	8.52	-31.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020284514	0	53	-1.0	-42.77	390.75	7.47	-35.30
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020284514	1	53	-1.0	-42.79	390.80	7.49	-35.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020284515	0	53	-1.0	-45.09	420.01	10.40	-34.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020284515	1	53	-1.0	-45.12	420.07	10.43	-34.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020284516	0	55	-1.0	-44.69	428.38	10.79	-33.90
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020284516	1	55	-1.0	-44.71	428.43	10.82	-33.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020284517	0	46	-1.0	-40.33	345.02	4.78	-35.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020284517	1	46	-1.0	-40.37	345.08	4.79	-35.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020284518	0	43	-1.0	-42.13	340.49	4.91	-37.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020284518	1	43	-1.0	-42.13	340.44	4.89	-37.24
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020284519	0	50	-1.0	-42.20	390.93	7.72	-34.48
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020284519	1	50	-1.0	-42.24	390.98	7.71	-34.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020284520	0	56	-1.0	-44.83	431.82	7.05	-37.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020284520	1	56	-1.0	-44.82	431.88	7.07	-37.75
CC1=NC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)S1	REAL300020284521	0	47	-1.0	-40.15	394.11	6.77	-33.38
CC1=NC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)S1	REAL300020284521	1	47	-1.0	-40.11	394.16	6.79	-33.32
CC1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)S1	REAL300020284522	0	44	-1.0	-42.15	371.42	5.98	-36.17
CC1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)S1	REAL300020284522	1	44	-1.0	-42.12	371.48	6.01	-36.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020284523	0	45	-1.0	-39.60	353.89	7.32	-32.28
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020284523	1	45	-1.0	-39.67	353.94	7.34	-32.33
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020284524	0	49	-1.0	-41.91	383.87	9.37	-32.54
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020284524	1	49	-1.0	-41.87	383.90	9.36	-32.51
CC1=CC=CC(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020284525	0	55	-1.0	-41.84	437.25	9.05	-32.79
CC1=CC=CC(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020284525	1	55	-1.0	-41.82	437.31	9.06	-32.76
CC1=CC=CC(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020284526	0	52	-1.0	-43.47	411.42	8.57	-34.90
CC1=CC=CC(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020284526	1	52	-1.0	-43.48	411.47	8.59	-34.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020284527	0	48	-1.0	-40.63	391.77	8.80	-31.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020284527	1	48	-1.0	-40.64	391.83	8.82	-31.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020284528	0	45	-1.0	-43.19	372.03	8.09	-35.10
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020284528	1	45	-1.0	-43.18	371.97	8.06	-35.12
COC1=CC=C(CCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020284529	0	58	-1.0	-41.62	459.10	9.71	-31.91
COC1=CC=C(CCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020284529	1	58	-1.0	-41.61	459.16	9.73	-31.88
COC1=CC=C(CCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020284530	0	55	-1.0	-47.67	427.23	9.27	-38.40
COC1=CC=C(CCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020284530	1	55	-1.0	-47.67	426.91	9.29	-38.38
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284531	0	58	-1.0	-41.10	458.13	9.97	-31.13
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284531	1	58	-1.0	-41.09	458.19	9.99	-31.10
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284532	0	55	-1.0	-43.07	438.33	9.19	-33.88
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284532	1	55	-1.0	-43.02	438.39	9.21	-33.81
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020284533	0	63	0.0	-68.58	456.72	9.97	-58.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020284533	1	63	0.0	-68.29	458.46	10.31	-57.98
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020284533	1	63	0.0	-68.61	456.77	9.98	-58.63
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020284533	1	63	0.0	-68.33	458.51	10.32	-58.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020284534	0	60	0.0	-67.80	439.31	9.57	-58.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020284534	1	60	0.0	-72.33	431.92	9.89	-62.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020284534	1	60	0.0	-67.81	439.37	9.59	-58.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020284534	1	60	0.0	-72.41	431.96	9.89	-62.52
CC(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284535	0	50	-1.0	-41.30	376.73	7.99	-33.31
CC(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284535	1	50	-1.0	-41.28	376.79	8.01	-33.27
CC(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284536	0	47	-1.0	-41.59	360.92	7.29	-34.30
CC(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284536	1	47	-1.0	-41.57	360.97	7.31	-34.26
CC(C)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284537	0	54	-1.0	-41.58	415.35	10.12	-31.46
CC(C)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284537	1	54	-1.0	-41.54	415.38	10.12	-31.42
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284538	0	48	-1.0	-43.45	383.31	6.99	-36.46
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284538	1	48	-1.0	-43.48	383.37	7.00	-36.48
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284539	0	45	-1.0	-43.63	359.44	6.33	-37.30
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284539	1	45	-1.0	-43.68	359.50	6.35	-37.33
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284540	0	52	-1.0	-45.78	409.23	9.20	-36.58
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284540	1	52	-1.0	-45.77	409.27	9.20	-36.57
COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284541	0	50	-1.0	-44.02	398.93	5.91	-38.11
COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284541	1	50	-1.0	-44.10	398.99	5.93	-38.17
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284542	0	47	-1.0	-50.43	366.60	5.39	-45.04
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284542	1	47	-1.0	-50.45	366.62	5.39	-45.06
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020284543	0	50	-1.0	-40.63	374.01	8.34	-32.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020284543	1	50	-1.0	-40.66	374.06	8.37	-32.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020284544	0	47	-1.0	-41.42	356.81	7.27	-34.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020284544	1	47	-1.0	-41.39	356.76	7.25	-34.14
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020284545	0	54	-1.0	-42.54	401.87	9.22	-33.32
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020284545	1	54	-1.0	-42.49	401.89	9.22	-33.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020284546	0	63	0.0	-68.52	462.93	10.09	-58.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020284546	1	63	0.0	-68.50	462.99	10.10	-58.40
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020284547	0	60	0.0	-66.24	442.95	9.33	-56.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020284547	1	60	0.0	-66.24	443.01	9.35	-56.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020284548	0	55	-1.0	-43.73	429.42	8.34	-35.39
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020284548	1	55	-1.0	-43.70	429.48	8.36	-35.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020284549	0	52	-1.0	-49.41	382.83	6.98	-42.43
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020284549	1	52	-1.0	-49.44	382.88	6.99	-42.45
COCCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284550	0	56	-1.0	-43.64	434.99	6.53	-37.11
COCCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284550	1	56	-1.0	-43.65	435.04	6.54	-37.11
COCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284551	0	53	-1.0	-45.83	416.46	5.78	-40.05
COCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284551	1	53	-1.0	-45.84	416.51	5.80	-40.04
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020284552	0	45	-1.0	-39.60	353.89	7.32	-32.28
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020284552	1	45	-1.0	-39.67	353.94	7.34	-32.33
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020284553	0	49	-1.0	-41.91	383.87	9.37	-32.54
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020284553	1	49	-1.0	-41.87	383.90	9.36	-32.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020284554	0	58	-1.0	-41.20	433.72	10.49	-30.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020284554	1	58	-1.0	-41.19	433.78	10.50	-30.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020284555	0	55	-1.0	-43.94	416.57	9.89	-34.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020284555	1	55	-1.0	-43.94	416.63	9.91	-34.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020284556	0	47	-1.0	-43.93	388.07	7.61	-36.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020284556	1	47	-1.0	-43.97	388.12	7.63	-36.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020284557	0	62	0.0	-65.68	453.59	10.07	-55.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020284557	1	62	0.0	-70.41	422.81	9.11	-61.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020284557	1	62	0.0	-65.70	453.65	10.08	-55.62
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020284557	1	62	0.0	-70.43	422.86	9.13	-61.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020284558	0	59	0.0	-73.59	404.45	8.87	-64.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020284558	1	59	0.0	-71.62	403.82	9.07	-62.55
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020284558	1	59	0.0	-73.54	404.50	8.89	-64.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020284558	1	59	0.0	-71.63	403.89	9.09	-62.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020284559	0	48	-1.0	-39.45	379.80	8.17	-31.28
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020284559	1	48	-1.0	-39.46	379.86	8.18	-31.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020284560	0	45	-1.0	-41.64	359.98	7.41	-34.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020284560	1	45	-1.0	-41.63	359.92	7.38	-34.25
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020284561	0	52	-1.0	-41.88	406.64	10.39	-31.49
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020284561	1	52	-1.0	-41.84	406.71	10.38	-31.46
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284562	0	56	-1.0	-43.43	437.97	7.44	-35.99
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284562	1	56	-1.0	-43.42	438.03	7.45	-35.97
CCOCCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284563	0	53	-1.0	-43.36	415.34	5.97	-37.39
CCOCCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284563	1	53	-1.0	-43.40	415.39	5.99	-37.41
COCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284564	0	48	-1.0	-39.93	379.10	5.50	-34.43
COCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284564	1	48	-1.0	-39.89	379.16	5.52	-34.37
COCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284565	0	45	-1.0	-41.74	355.52	5.08	-36.66
COCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284565	1	45	-1.0	-41.78	355.58	5.10	-36.68
COCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284566	0	52	-1.0	-41.97	409.96	7.91	-34.06
COCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284566	1	52	-1.0	-41.98	409.98	7.91	-34.07
CC(=O)N(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284567	0	55	-1.0	-47.55	421.08	7.27	-40.28
CC(=O)N(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284567	1	55	-1.0	-47.59	421.14	7.28	-40.31
CC(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284568	0	52	-1.0	-50.64	399.69	6.91	-43.73
CC(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284568	1	52	-1.0	-50.60	399.75	6.93	-43.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020284569	0	49	-1.0	-38.45	392.11	8.22	-30.23
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020284569	1	49	-1.0	-38.48	392.17	8.23	-30.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020284570	0	46	-1.0	-40.27	370.57	7.43	-32.84
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020284570	1	46	-1.0	-40.28	370.62	7.46	-32.82
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)SC(C)C1	REAL300020284571	0	53	-1.0	-41.37	424.49	10.42	-30.95
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)SC(C)C1	REAL300020284571	1	53	-1.0	-41.32	424.64	10.37	-30.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020284572	0	46	-1.0	-42.51	368.22	5.56	-36.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020284572	1	46	-1.0	-42.54	368.28	5.57	-36.97
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020284573	0	43	-1.0	-47.48	344.76	4.94	-42.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020284573	1	43	-1.0	-47.47	344.80	4.91	-42.56
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020284574	0	50	-1.0	-44.41	401.84	7.01	-37.40
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020284574	1	50	-1.0	-44.34	401.87	7.01	-37.33
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020284575	0	55	0.0	-65.27	408.50	8.54	-56.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020284575	1	55	0.0	-69.42	388.00	7.81	-61.61
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020284575	1	55	0.0	-65.26	408.56	8.55	-56.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020284575	1	55	0.0	-69.46	388.06	7.82	-61.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020284575	1	54	-1.0	-40.94	401.86	6.55	-34.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020284576	0	52	0.0	-65.54	371.64	7.20	-58.34
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020284576	1	52	0.0	-61.09	383.99	8.07	-53.02
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020284576	1	52	0.0	-65.52	371.59	7.18	-58.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020284576	1	52	0.0	-61.11	383.94	8.05	-53.06
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020284576	1	51	-1.0	-42.59	368.81	4.94	-37.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2CCCCC2C1	REAL300020284576	1	51	-1.0	-42.58	368.87	4.96	-37.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020284577	0	52	-1.0	-42.61	423.01	8.49	-34.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020284577	1	52	-1.0	-42.62	423.08	8.51	-34.11
CC(C)CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284578	0	61	-1.0	-39.21	463.57	9.24	-29.97
CC(C)CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284578	1	61	-1.0	-39.18	463.63	9.26	-29.92
CC(C)CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284579	0	58	-1.0	-41.33	444.44	8.51	-32.82
CC(C)CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284579	1	58	-1.0	-41.30	444.50	8.53	-32.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020284580	0	48	-1.0	-41.45	397.86	8.94	-32.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020284580	1	48	-1.0	-41.47	397.92	8.96	-32.51
CC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284581	0	47	-1.0	-39.34	365.17	7.33	-32.01
CC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284581	1	47	-1.0	-39.35	365.23	7.35	-32.00
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284582	0	51	-1.0	-41.75	393.78	9.62	-32.13
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284582	1	51	-1.0	-41.69	393.80	9.61	-32.08
COC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=C1	REAL300020284583	0	56	-1.0	-44.10	431.99	9.25	-34.85
COC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020284583	1	56	-1.0	-44.09	432.04	9.28	-34.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020284584	0	51	-1.0	-44.83	407.82	9.18	-35.65
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020284584	1	51	-1.0	-44.86	407.77	9.17	-35.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020284585	0	48	-1.0	-45.47	377.94	8.50	-36.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020284585	1	48	-1.0	-45.47	377.88	8.47	-37.00
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284586	0	48	-1.0	-42.02	373.43	8.91	-33.11
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284586	1	48	-1.0	-41.93	373.47	8.90	-33.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020284587	0	54	-1.0	-45.49	429.07	10.99	-34.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020284587	1	54	-1.0	-45.50	429.13	11.01	-34.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020284588	0	51	-1.0	-39.98	394.95	8.58	-31.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020284588	1	51	-1.0	-39.97	395.01	8.60	-31.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020284589	0	48	-1.0	-46.65	359.29	8.09	-38.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020284589	1	48	-1.0	-46.63	359.34	8.11	-38.52
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCC1	REAL300020284590	0	55	-1.0	-42.01	416.87	10.55	-31.46
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCC1	REAL300020284590	1	55	-1.0	-41.91	416.91	10.53	-31.38
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020284591	0	55	-1.0	-48.00	421.19	6.47	-41.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020284591	1	55	-1.0	-47.99	421.25	6.49	-41.50
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284592	0	49	-1.0	-41.05	392.77	5.75	-35.30
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284592	1	49	-1.0	-41.06	392.83	5.77	-35.29
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284593	0	46	-1.0	-43.37	363.76	5.10	-38.27
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284593	1	46	-1.0	-43.37	363.82	5.13	-38.24
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020284594	0	53	-1.0	-42.57	416.71	7.98	-34.59
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020284594	1	53	-1.0	-42.61	416.74	7.97	-34.64
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020284595	0	51	-1.0	-47.24	403.90	6.93	-40.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020284595	1	51	-1.0	-47.21	403.84	6.91	-40.30
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020284596	0	48	-1.0	-39.98	393.93	8.43	-31.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020284596	1	48	-1.0	-40.04	393.99	8.44	-31.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020284597	0	45	-1.0	-42.59	371.56	7.92	-34.67
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020284597	1	45	-1.0	-42.59	371.62	7.95	-34.64
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020284598	0	48	-1.0	-44.49	386.40	9.69	-34.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020284598	1	48	-1.0	-44.47	386.45	9.71	-34.76
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284599	0	49	-1.0	-40.81	377.31	6.41	-34.40
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284599	1	49	-1.0	-40.80	377.37	6.42	-34.38
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284600	0	46	-1.0	-41.90	361.83	5.52	-36.38
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284600	1	46	-1.0	-41.85	361.88	5.54	-36.31
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CCO1	REAL300020284601	0	53	-1.0	-41.78	398.08	7.60	-34.18
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CCO1	REAL300020284601	1	53	-1.0	-41.73	398.12	7.59	-34.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020284602	0	53	-1.0	-42.55	415.40	8.65	-33.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020284602	1	53	-1.0	-42.54	415.46	8.67	-33.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020284603	0	50	-1.0	-46.11	375.07	7.24	-38.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020284603	1	50	-1.0	-46.12	375.11	7.27	-38.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020284604	0	54	-1.0	-39.79	411.36	9.36	-30.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020284604	1	54	-1.0	-39.79	411.42	9.38	-30.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020284605	0	51	-1.0	-41.74	388.07	8.65	-33.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020284605	1	51	-1.0	-41.73	388.12	8.67	-33.06
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCCC1	REAL300020284606	0	58	-1.0	-42.01	441.90	11.58	-30.43
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCCC1	REAL300020284606	1	58	-1.0	-42.01	441.94	11.56	-30.45
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020284607	0	61	0.0	-67.03	445.91	10.09	-56.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020284607	1	61	0.0	-66.99	445.97	10.10	-56.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020284608	0	58	0.0	-64.90	418.61	9.38	-55.52
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020284608	1	58	0.0	-64.89	418.67	9.40	-55.49
C#CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284609	0	44	-1.0	-41.49	362.18	8.62	-32.87
C#CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284609	1	44	-1.0	-41.41	362.21	8.62	-32.79
C=CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284610	0	46	-1.0	-42.16	361.49	8.52	-33.64
C=CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284610	1	46	-1.0	-42.14	361.52	8.50	-33.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020284611	0	56	-1.0	-40.76	413.32	7.83	-32.93
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020284611	1	56	-1.0	-40.76	413.38	7.86	-32.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020284612	0	53	-1.0	-49.07	404.95	8.25	-40.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020284612	1	53	-1.0	-49.08	405.02	8.26	-40.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020284613	0	49	-1.0	-40.41	368.84	7.92	-32.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020284613	1	49	-1.0	-40.39	368.90	7.94	-32.45
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020284614	0	46	-1.0	-44.31	347.11	7.46	-36.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020284614	1	46	-1.0	-44.31	347.17	7.47	-36.84
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020284615	0	53	-1.0	-42.15	396.07	9.70	-32.45
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020284615	1	53	-1.0	-42.19	396.08	9.69	-32.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020284616	0	58	-1.0	-41.35	439.62	5.55	-35.80
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020284616	1	58	-1.0	-41.42	439.68	5.57	-35.85
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020284616	1	59	0.0	-70.52	436.28	8.49	-62.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020284617	0	55	-1.0	-47.06	407.96	5.01	-42.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020284617	1	55	-1.0	-47.02	407.84	5.02	-42.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020284617	1	56	0.0	-72.32	407.61	7.22	-65.10
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020284618	0	58	-1.0	-40.66	439.94	11.42	-29.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020284618	1	58	-1.0	-40.65	439.99	11.44	-29.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020284619	0	55	-1.0	-41.86	419.93	10.34	-31.52
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020284619	1	55	-1.0	-41.89	419.99	10.37	-31.52
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020284620	0	60	-1.0	-41.47	442.84	10.52	-30.95
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020284620	1	60	-1.0	-41.48	442.90	10.54	-30.94
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020284621	0	57	-1.0	-43.26	428.20	10.72	-32.54
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020284621	1	57	-1.0	-43.26	428.25	10.75	-32.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020284622	0	54	-1.0	-39.76	404.69	8.90	-30.86
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020284622	1	54	-1.0	-39.76	404.74	8.91	-30.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020284623	0	51	-1.0	-41.84	379.77	8.25	-33.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020284623	1	51	-1.0	-41.86	379.83	8.28	-33.58
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)C)CC1	REAL300020284624	0	58	-1.0	-41.50	441.38	11.07	-30.43
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)C)CC1	REAL300020284624	1	58	-1.0	-41.47	441.42	11.06	-30.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020284625	0	49	-1.0	-42.52	386.96	6.91	-35.61
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020284625	1	49	-1.0	-42.52	387.01	6.93	-35.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020284626	0	46	-1.0	-42.36	371.91	6.31	-36.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020284626	1	46	-1.0	-42.39	371.96	6.33	-36.06
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020284627	0	61	0.0	-66.35	445.87	10.28	-56.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020284627	1	61	0.0	-66.33	445.93	10.30	-56.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020284628	0	58	0.0	-61.89	424.31	9.52	-52.37
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020284628	1	58	0.0	-61.91	424.37	9.52	-52.39
CCOC(=O)CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284629	0	57	-1.0	-48.89	445.41	9.30	-39.59
CCOC(=O)CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284629	1	57	-1.0	-48.87	445.46	9.33	-39.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020284630	0	54	-1.0	-49.94	421.28	7.80	-42.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020284630	1	54	-1.0	-49.91	421.22	7.78	-42.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020284631	0	51	-1.0	-53.27	399.77	7.01	-46.26
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020284631	1	51	-1.0	-53.23	399.72	6.99	-46.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020284632	0	50	-1.0	-49.70	388.45	6.20	-43.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020284632	1	50	-1.0	-49.68	388.37	6.21	-43.47
CC(=O)N1CCC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284633	0	55	-1.0	-46.05	430.57	7.17	-38.88
CC(=O)N1CCC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284633	1	55	-1.0	-46.08	430.63	7.19	-38.89
CC(=O)N1CCC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284634	0	52	-1.0	-47.65	407.80	6.13	-41.52
CC(=O)N1CCC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284634	1	52	-1.0	-47.64	407.86	6.16	-41.48
COCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284635	0	53	-1.0	-42.97	418.07	5.61	-37.36
COCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284635	1	53	-1.0	-42.99	418.12	5.62	-37.37
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284636	0	50	-1.0	-44.50	389.89	4.85	-39.65
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284636	1	50	-1.0	-44.55	389.95	4.87	-39.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020284637	0	48	-1.0	-41.45	389.85	8.06	-33.39
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020284637	1	48	-1.0	-41.50	389.91	8.07	-33.43
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020284638	0	45	-1.0	-41.80	366.35	7.26	-34.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020284638	1	45	-1.0	-41.80	366.40	7.28	-34.52
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020284639	0	53	-1.0	-44.95	409.01	7.16	-37.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020284639	1	53	-1.0	-44.94	409.07	7.17	-37.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020284640	0	50	-1.0	-45.76	385.77	6.59	-39.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020284640	1	50	-1.0	-45.81	385.83	6.61	-39.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020284641	0	51	-1.0	-44.26	420.12	8.34	-35.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020284641	1	51	-1.0	-44.24	420.18	8.37	-35.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020284642	0	50	-1.0	-44.32	383.42	5.52	-38.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020284642	1	50	-1.0	-44.37	383.48	5.55	-38.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020284643	0	45	-1.0	-44.09	354.58	7.23	-36.86
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020284643	1	45	-1.0	-44.09	354.64	7.24	-36.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020284644	0	42	-1.0	-47.04	328.10	6.24	-40.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020284644	1	42	-1.0	-47.05	328.16	6.27	-40.78
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020284645	0	49	-1.0	-45.40	389.80	9.33	-36.07
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020284645	1	49	-1.0	-45.46	389.81	9.32	-36.14
COCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1=O	REAL300020284646	0	53	-1.0	-46.42	406.90	5.83	-40.59
COCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1=O	REAL300020284646	1	53	-1.0	-46.46	406.95	5.84	-40.62
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1=O	REAL300020284647	0	50	-1.0	-42.38	398.50	4.57	-37.81
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1=O	REAL300020284647	1	50	-1.0	-42.41	398.55	4.60	-37.81
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020284648	0	59	-1.0	-42.86	421.47	7.61	-35.25
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020284648	1	59	-1.0	-42.83	421.52	7.64	-35.19
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020284649	0	56	-1.0	-47.34	409.65	7.51	-39.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020284649	1	56	-1.0	-47.37	409.70	7.54	-39.83
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020284650	0	55	-1.0	-41.65	386.80	8.42	-33.23
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020284650	1	55	-1.0	-41.65	386.86	8.43	-33.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020284651	0	52	-1.0	-47.11	362.63	7.88	-39.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020284651	1	52	-1.0	-47.08	362.68	7.89	-39.19
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284652	0	52	-1.0	-41.76	387.56	6.73	-35.03
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284652	1	52	-1.0	-41.75	387.61	6.75	-35.00
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284653	0	49	-1.0	-42.50	376.38	5.83	-36.67
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284653	1	49	-1.0	-42.50	376.44	5.86	-36.64
COC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284654	0	56	-1.0	-45.57	410.67	7.90	-37.67
COC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284654	1	56	-1.0	-45.55	410.71	7.89	-37.66
COC(=O)C(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284655	0	57	-1.0	-51.73	420.37	8.63	-43.10
COC(=O)C(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284655	1	57	-1.0	-51.78	420.45	8.64	-43.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020284656	0	53	-1.0	-43.93	415.30	4.16	-39.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020284656	1	53	-1.0	-43.96	415.36	4.18	-39.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020284657	0	50	-1.0	-53.84	382.25	3.78	-50.06
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020284657	1	50	-1.0	-53.86	382.31	3.77	-50.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020284658	0	49	-1.0	-45.24	402.86	7.94	-37.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020284658	1	49	-1.0	-45.19	402.81	7.92	-37.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020284659	0	56	-1.0	-41.60	425.52	7.83	-33.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020284659	1	56	-1.0	-41.59	425.58	7.86	-33.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020284660	0	53	-1.0	-43.76	398.21	7.14	-36.62
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020284660	1	53	-1.0	-43.74	398.26	7.16	-36.58
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284661	0	57	-1.0	-48.70	421.62	8.79	-39.91
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284661	1	57	-1.0	-48.72	421.67	8.79	-39.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020284662	0	52	-1.0	-46.99	406.02	6.68	-40.31
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020284662	1	52	-1.0	-46.96	406.08	6.70	-40.26
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020284663	0	49	-1.0	-46.76	381.38	5.53	-41.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020284663	1	49	-1.0	-46.76	381.44	5.56	-41.20
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020284664	0	56	-1.0	-41.32	416.16	7.74	-33.58
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020284664	1	56	-1.0	-41.36	416.22	7.75	-33.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020284665	0	53	-1.0	-48.55	367.60	6.43	-42.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020284665	1	53	-1.0	-48.59	367.63	6.43	-42.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020284666	0	55	-1.0	-40.09	410.79	6.90	-33.19
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020284666	1	55	-1.0	-40.08	410.84	6.92	-33.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020284667	0	52	-1.0	-43.06	388.32	6.47	-36.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020284667	1	52	-1.0	-43.05	388.39	6.48	-36.57
CC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C2)C(C)=C1	REAL300020284668	0	58	-1.0	-41.47	416.11	9.65	-31.82
CC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C2)C(C)=C1	REAL300020284668	1	58	-1.0	-41.46	416.17	9.66	-31.80
CC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)C(C)=C1	REAL300020284669	0	55	-1.0	-46.11	419.48	10.54	-35.57
CC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)C(C)=C1	REAL300020284669	1	55	-1.0	-46.15	419.54	10.57	-35.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020284670	0	57	-1.0	-41.29	412.41	9.25	-32.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020284670	1	57	-1.0	-41.27	412.47	9.26	-32.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020284671	0	54	-1.0	-43.12	399.67	8.30	-34.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020284671	1	54	-1.0	-43.12	399.73	8.34	-34.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020284672	0	58	-1.0	-42.48	437.15	5.72	-36.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020284672	1	59	0.0	-69.43	429.44	8.11	-61.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020284672	1	58	-1.0	-42.46	437.20	5.75	-36.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020284673	0	52	-1.0	-41.08	403.83	9.95	-31.13
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020284673	1	52	-1.0	-41.11	403.89	9.96	-31.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020284674	0	49	-1.0	-43.28	382.94	9.25	-34.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020284674	1	49	-1.0	-43.27	382.99	9.27	-34.00
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020284675	0	46	-1.0	-46.92	365.53	3.02	-43.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020284675	1	46	-1.0	-46.91	365.59	3.03	-43.88
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020284676	0	43	-1.0	-56.45	333.34	2.53	-53.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020284676	1	43	-1.0	-56.48	333.44	2.51	-53.97
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020284677	0	50	-1.0	-49.29	391.03	5.12	-44.17
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020284677	1	50	-1.0	-49.22	391.04	5.13	-44.09
COC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284678	0	55	-1.0	-44.71	430.55	6.87	-37.84
COC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284678	1	55	-1.0	-44.77	430.60	6.89	-37.88
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1	REAL300020284679	0	46	-1.0	-42.82	361.86	8.38	-34.44
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1	REAL300020284679	1	46	-1.0	-42.76	361.90	8.36	-34.40
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)C1	REAL300020284680	0	48	-1.0	-39.55	371.26	7.74	-31.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)C1	REAL300020284680	1	48	-1.0	-39.55	371.32	7.75	-31.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)C1	REAL300020284681	0	45	-1.0	-47.20	325.57	6.46	-40.74
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)C1	REAL300020284681	1	45	-1.0	-47.25	325.53	6.45	-40.80
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020284682	0	52	-1.0	-42.67	386.32	9.03	-33.64
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020284682	1	52	-1.0	-42.61	386.37	9.02	-33.59
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC1	REAL300020284683	0	43	-1.0	-40.83	343.45	4.75	-36.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC1	REAL300020284683	1	43	-1.0	-40.85	343.50	4.76	-36.09
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1	REAL300020284684	0	47	-1.0	-42.77	369.49	6.81	-35.96
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1	REAL300020284684	1	47	-1.0	-42.76	369.59	6.80	-35.96
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284685	0	49	-1.0	-46.75	379.68	6.13	-40.62
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284685	1	49	-1.0	-46.71	379.74	6.14	-40.57
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284686	0	46	-1.0	-53.90	354.09	5.57	-48.33
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284686	1	46	-1.0	-53.89	354.12	5.57	-48.32
CC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020284687	0	53	-1.0	-46.64	412.72	8.38	-38.26
CC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020284687	1	53	-1.0	-46.65	412.74	8.38	-38.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020284688	0	54	-1.0	-41.23	422.13	8.03	-33.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020284688	1	54	-1.0	-41.23	422.18	8.05	-33.18
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020284689	0	51	-1.0	-44.84	407.52	7.57	-37.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020284689	1	51	-1.0	-44.84	407.57	7.59	-37.25
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020284690	0	58	-1.0	-41.79	444.22	11.52	-30.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020284690	1	58	-1.0	-41.78	444.28	11.54	-30.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020284691	0	55	-1.0	-44.29	424.69	10.96	-33.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020284691	1	55	-1.0	-44.22	424.75	10.97	-33.25
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020284692	0	51	-1.0	-39.37	387.58	8.60	-30.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020284692	1	51	-1.0	-39.36	387.64	8.61	-30.75
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020284693	0	48	-1.0	-43.84	358.44	8.16	-35.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020284693	1	48	-1.0	-43.86	358.50	8.18	-35.68
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C)C1	REAL300020284694	0	55	-1.0	-41.32	420.06	10.56	-30.76
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C)C1	REAL300020284694	1	55	-1.0	-41.32	420.08	10.56	-30.76
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284695	0	54	-1.0	-40.92	426.87	8.70	-32.22
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284695	1	54	-1.0	-40.91	426.92	8.72	-32.19
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284696	0	51	-1.0	-42.65	400.15	8.08	-34.57
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284696	1	51	-1.0	-42.70	400.21	8.10	-34.60
CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284697	0	47	-1.0	-39.45	366.93	7.21	-32.24
CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284697	1	47	-1.0	-39.45	366.98	7.23	-32.22
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284698	0	51	-1.0	-42.01	391.27	9.50	-32.51
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284698	1	51	-1.0	-41.94	391.31	9.49	-32.45
CCOC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284699	0	53	-1.0	-43.52	415.00	6.92	-36.60
CCOC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284699	1	53	-1.0	-43.54	415.06	6.94	-36.60
CCOC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284700	0	50	-1.0	-45.14	398.80	5.97	-39.17
CCOC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284700	1	50	-1.0	-45.15	398.86	6.00	-39.15
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020284701	0	54	-1.0	-40.69	425.37	8.11	-32.58
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020284701	1	54	-1.0	-40.71	425.43	8.12	-32.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020284702	0	51	-1.0	-42.31	403.19	7.52	-34.79
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020284702	1	51	-1.0	-42.32	403.25	7.55	-34.77
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020284703	0	49	-1.0	-45.31	384.39	3.83	-41.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020284703	1	49	-1.0	-45.29	384.45	3.84	-41.45
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020284704	0	46	-1.0	-51.32	357.85	3.40	-47.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020284704	1	46	-1.0	-51.27	357.90	3.41	-47.86
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020284705	0	53	-1.0	-47.77	420.17	5.91	-41.86
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020284705	1	53	-1.0	-47.74	420.21	5.90	-41.84
CCOC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284706	0	54	-1.0	-45.27	427.28	9.00	-36.27
CCOC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284706	1	54	-1.0	-45.26	427.34	9.01	-36.25
CCOC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284707	0	51	-1.0	-45.86	405.50	7.89	-37.97
CCOC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284707	1	51	-1.0	-45.86	405.56	7.91	-37.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020284708	0	52	-1.0	-43.92	415.03	7.70	-36.22
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020284708	1	52	-1.0	-43.90	414.97	7.69	-36.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020284709	0	49	-1.0	-50.31	380.78	7.22	-43.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020284709	1	49	-1.0	-50.25	380.75	7.21	-43.04
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)CC1	REAL300020284710	0	48	-1.0	-40.16	364.92	7.91	-32.25
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)CC1	REAL300020284710	1	48	-1.0	-40.12	364.98	7.93	-32.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)CC1	REAL300020284711	0	45	-1.0	-45.40	342.85	7.35	-38.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)CC1	REAL300020284711	1	45	-1.0	-45.38	342.80	7.35	-38.03
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020284712	0	52	-1.0	-41.31	399.79	9.78	-31.53
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020284712	1	52	-1.0	-41.28	399.77	9.77	-31.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020284713	0	53	-1.0	-42.41	418.64	7.47	-34.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020284713	1	53	-1.0	-42.41	418.70	7.49	-34.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020284714	0	50	-1.0	-43.61	397.38	6.69	-36.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020284714	1	50	-1.0	-43.61	397.43	6.71	-36.90
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=C1C	REAL300020284715	0	57	-1.0	-42.16	432.75	9.34	-32.82
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1C	REAL300020284715	1	57	-1.0	-42.15	432.81	9.36	-32.79
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284716	0	49	-1.0	-46.25	385.43	6.26	-39.99
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284716	1	49	-1.0	-46.24	385.48	6.27	-39.97
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284717	0	46	-1.0	-46.05	377.77	5.43	-40.62
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284717	1	46	-1.0	-46.04	377.83	5.46	-40.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020284718	0	53	-1.0	-46.99	420.44	6.80	-40.19
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020284718	1	53	-1.0	-46.94	420.49	6.81	-40.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020284719	0	50	-1.0	-53.43	386.58	6.38	-47.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020284719	1	50	-1.0	-53.46	386.63	6.39	-47.07
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020284720	0	58	0.0	-63.22	420.72	9.37	-53.85
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020284720	1	58	0.0	-63.21	420.78	9.39	-53.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020284721	0	55	0.0	-66.91	395.13	8.72	-58.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020284721	1	55	0.0	-66.97	395.17	8.73	-58.24
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020284722	0	54	-1.0	-40.57	431.44	11.08	-29.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020284722	1	54	-1.0	-40.58	431.50	11.09	-29.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020284723	0	51	-1.0	-47.70	398.49	10.55	-37.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020284723	1	51	-1.0	-47.71	398.45	10.54	-37.17
CC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284724	0	58	0.0	-66.45	436.04	10.66	-55.79
CC1=CC=CC=C1CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284724	1	57	-1.0	-42.65	441.51	8.22	-34.43
CC1=CC=CC=C1CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284724	1	57	-1.0	-42.70	441.57	8.24	-34.46
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020284725	0	45	-1.0	-39.37	385.36	8.65	-30.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020284725	1	45	-1.0	-39.35	385.42	8.67	-30.68
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020284726	0	42	-1.0	-44.04	363.10	8.08	-35.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020284726	1	42	-1.0	-44.04	363.17	8.10	-35.94
COC1=CC=C(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020284727	0	53	-1.0	-44.05	409.87	7.18	-36.87
COC1=CC=C(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020284727	1	53	-1.0	-44.08	409.93	7.21	-36.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020284728	0	56	-1.0	-46.69	437.08	9.61	-37.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020284728	1	56	-1.0	-46.68	437.14	9.61	-37.07
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020284729	0	48	-1.0	-41.47	395.55	8.59	-32.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020284729	1	48	-1.0	-41.49	395.60	8.60	-32.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020284730	0	45	-1.0	-42.24	376.85	7.93	-34.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020284730	1	45	-1.0	-42.25	376.92	7.95	-34.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020284731	0	58	0.0	-68.33	435.80	10.46	-57.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020284731	1	58	0.0	-71.34	430.33	10.45	-60.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020284731	1	58	0.0	-68.33	435.86	10.48	-57.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020284731	1	58	0.0	-71.36	430.37	10.46	-60.90
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020284732	0	51	-1.0	-51.46	386.64	3.63	-47.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020284732	1	51	-1.0	-51.48	386.69	3.66	-47.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020284733	0	48	-1.0	-62.68	378.27	4.05	-58.63
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020284733	1	48	-1.0	-62.66	378.36	4.06	-58.60
CCC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1	REAL300020284734	0	57	-1.0	-42.08	439.65	8.91	-33.17
CCC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020284734	1	57	-1.0	-42.12	439.71	8.93	-33.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020284735	0	50	-1.0	-49.43	388.60	7.06	-42.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020284735	1	50	-1.0	-49.36	388.57	7.06	-42.30
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020284736	0	52	-1.0	-42.23	409.57	8.44	-33.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020284736	1	52	-1.0	-42.25	409.62	8.46	-33.79
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020284737	0	49	-1.0	-45.67	395.22	7.96	-37.71
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020284737	1	49	-1.0	-45.66	395.16	7.94	-37.72
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020284738	0	51	-1.0	-41.70	407.33	9.52	-32.18
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020284738	1	51	-1.0	-41.69	407.38	9.54	-32.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020284739	0	48	-1.0	-42.39	394.02	8.65	-33.74
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020284739	1	48	-1.0	-42.39	393.96	8.63	-33.76
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020284740	0	51	-1.0	-40.15	413.98	7.26	-32.89
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020284740	1	51	-1.0	-40.16	414.04	7.27	-32.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020284741	0	48	-1.0	-43.62	378.28	6.33	-37.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020284741	1	48	-1.0	-43.66	378.33	6.35	-37.31
COCCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284742	0	59	-1.0	-46.87	460.57	5.61	-41.26
COCCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284742	1	59	-1.0	-46.85	460.63	5.62	-41.23
COCCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284743	0	56	-1.0	-46.74	444.76	4.89	-41.85
COCCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284743	1	56	-1.0	-46.71	444.82	4.91	-41.80
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284744	0	60	0.0	-65.96	440.31	9.87	-56.09
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284744	1	60	0.0	-65.96	440.36	9.89	-56.07
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284745	0	57	0.0	-71.16	405.53	8.78	-62.38
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284745	1	57	0.0	-71.14	405.56	8.80	-62.34
CC1=NC=CN=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284746	0	55	-1.0	-41.52	434.82	6.62	-34.90
CC1=NC=CN=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284746	1	55	-1.0	-41.51	434.88	6.64	-34.87
CC1=NC=CN=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284747	0	52	-1.0	-43.14	411.07	5.88	-37.26
CC1=NC=CN=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284747	1	52	-1.0	-43.15	411.13	5.91	-37.24
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020284748	0	57	-1.0	-40.59	439.50	9.12	-31.47
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020284748	1	57	-1.0	-40.56	439.56	9.14	-31.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020284749	0	54	-1.0	-44.97	414.65	8.61	-36.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020284749	1	54	-1.0	-44.98	414.70	8.63	-36.35
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020284750	0	48	-1.0	-38.67	398.76	8.87	-29.80
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020284750	1	48	-1.0	-38.71	398.81	8.89	-29.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020284751	0	45	-1.0	-41.04	370.85	8.07	-32.97
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020284751	1	45	-1.0	-41.03	370.90	8.09	-32.94
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284752	0	54	-1.0	-40.53	404.75	9.18	-31.35
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284752	1	54	-1.0	-40.57	404.81	9.20	-31.37
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284753	0	51	-1.0	-44.17	377.19	8.23	-35.94
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284753	1	51	-1.0	-44.17	377.24	8.26	-35.91
CCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284754	0	58	-1.0	-40.81	437.87	10.91	-29.90
CCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284754	1	58	-1.0	-40.81	437.89	10.91	-29.90
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020284755	0	58	-1.0	-41.05	460.87	9.52	-31.53
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020284755	1	58	-1.0	-41.08	460.92	9.53	-31.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020284756	0	55	-1.0	-43.53	443.30	8.90	-34.63
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020284756	1	55	-1.0	-43.51	443.36	8.94	-34.57
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020284757	0	56	-1.0	-39.83	430.23	8.86	-30.97
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020284757	1	56	-1.0	-39.83	430.29	8.88	-30.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020284758	0	53	-1.0	-44.71	408.12	8.29	-36.42
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020284758	1	53	-1.0	-44.73	408.17	8.30	-36.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020284759	0	48	-1.0	-39.76	397.29	7.31	-32.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020284759	1	48	-1.0	-39.78	397.35	7.32	-32.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020284760	0	45	-1.0	-40.65	380.06	6.52	-34.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020284760	1	45	-1.0	-40.66	380.11	6.55	-34.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020284761	0	56	-1.0	-39.34	417.73	10.31	-29.03
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020284761	1	56	-1.0	-39.32	417.79	10.33	-28.99
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020284762	0	53	-1.0	-41.43	399.65	9.28	-32.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020284762	1	53	-1.0	-41.50	399.71	9.30	-32.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020284763	0	62	0.0	-67.71	437.31	10.36	-57.35
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020284763	1	62	0.0	-67.67	437.25	10.35	-57.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020284764	0	59	0.0	-62.91	425.49	9.84	-53.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020284764	1	59	0.0	-62.98	425.55	9.86	-53.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020284765	0	50	-1.0	-50.63	416.55	6.60	-44.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020284765	1	50	-1.0	-50.65	416.60	6.62	-44.03
CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284766	0	55	-1.0	-44.33	429.09	6.15	-38.18
CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284766	1	55	-1.0	-44.36	429.15	6.16	-38.20
CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284767	0	52	-1.0	-45.75	408.68	5.43	-40.32
CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284767	1	52	-1.0	-45.76	408.74	5.46	-40.30
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284768	0	52	-1.0	-46.21	409.43	5.48	-40.73
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284768	1	52	-1.0	-46.26	409.48	5.50	-40.76
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284769	0	49	-1.0	-50.61	389.30	4.77	-45.84
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284769	1	49	-1.0	-50.63	389.36	4.79	-45.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020284770	0	56	-1.0	-46.28	433.06	5.46	-40.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020284770	1	56	-1.0	-46.22	433.12	5.48	-40.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020284771	0	45	-1.0	-38.91	376.62	7.89	-31.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020284771	1	45	-1.0	-38.96	376.68	7.90	-31.06
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020284772	0	42	-1.0	-46.36	343.12	7.43	-38.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020284772	1	42	-1.0	-46.33	343.07	7.42	-38.91
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CS1	REAL300020284773	0	49	-1.0	-41.72	402.24	9.89	-31.83
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CS1	REAL300020284773	1	49	-1.0	-41.70	402.28	9.88	-31.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020284774	0	45	-1.0	-41.35	391.37	8.59	-32.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020284774	1	45	-1.0	-41.34	391.43	8.61	-32.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020284775	0	55	-1.0	-44.01	424.82	7.29	-36.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020284775	1	55	-1.0	-44.10	424.88	7.30	-36.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020284776	0	52	-1.0	-47.53	400.87	6.35	-41.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020284776	1	52	-1.0	-47.55	400.92	6.38	-41.17
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020284777	0	54	-1.0	-44.75	415.98	8.51	-36.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020284777	1	54	-1.0	-44.74	416.04	8.52	-36.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020284778	0	51	-1.0	-46.86	392.07	7.52	-39.34
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020284778	1	51	-1.0	-46.87	392.13	7.55	-39.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020284779	0	56	-1.0	-44.68	430.76	8.08	-36.60
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020284779	1	56	-1.0	-44.66	430.82	8.09	-36.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020284780	0	53	-1.0	-46.63	409.24	7.28	-39.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020284780	1	53	-1.0	-46.66	409.30	7.30	-39.36
COC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284781	0	49	-1.0	-42.38	376.67	6.18	-36.20
COC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284781	1	49	-1.0	-42.35	376.72	6.19	-36.16
COC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284782	0	46	-1.0	-46.54	337.32	4.84	-41.70
COC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284782	1	46	-1.0	-46.52	337.35	4.86	-41.66
COC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284783	0	53	-1.0	-43.61	416.18	8.50	-35.11
COC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284783	1	53	-1.0	-43.61	416.28	8.49	-35.12
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284784	0	52	-1.0	-40.93	399.00	7.02	-33.91
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284784	1	52	-1.0	-40.94	399.05	7.03	-33.91
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284785	0	49	-1.0	-43.30	377.48	6.22	-37.08
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284785	1	49	-1.0	-43.29	377.54	6.25	-37.04
COCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020284786	0	56	-1.0	-42.12	432.68	8.60	-33.52
COCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020284786	1	56	-1.0	-42.07	432.68	8.60	-33.47
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020284787	0	44	-1.0	-46.15	359.99	4.37	-41.78
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020284787	1	44	-1.0	-46.18	360.04	4.39	-41.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020284788	0	41	-1.0	-48.90	335.97	3.83	-45.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020284788	1	41	-1.0	-48.91	336.03	3.84	-45.07
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020284789	0	48	-1.0	-48.15	388.44	6.49	-41.66
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020284789	1	48	-1.0	-48.17	388.44	6.48	-41.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020284790	0	61	0.0	-61.95	445.03	10.23	-51.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020284790	1	61	0.0	-61.97	445.08	10.25	-51.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020284791	0	58	0.0	-61.14	423.29	9.40	-51.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020284791	1	58	0.0	-61.19	423.34	9.43	-51.76
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284792	0	46	-1.0	-39.84	365.19	7.62	-32.22
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284792	1	46	-1.0	-39.85	365.24	7.63	-32.22
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284793	0	43	-1.0	-41.65	336.55	7.02	-34.63
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284793	1	43	-1.0	-41.72	336.49	7.00	-34.72
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020284794	0	50	-1.0	-40.97	392.84	9.47	-31.50
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020284794	1	50	-1.0	-40.93	392.75	9.44	-31.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020284795	0	52	-1.0	-40.42	394.48	7.16	-33.26
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020284795	1	52	-1.0	-40.41	394.53	7.17	-33.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020284796	0	49	-1.0	-42.35	367.78	5.91	-36.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020284796	1	49	-1.0	-42.32	367.83	5.91	-36.41
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCOC1	REAL300020284797	0	56	-1.0	-42.33	433.12	9.16	-33.17
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCOC1	REAL300020284797	1	56	-1.0	-42.36	433.16	9.15	-33.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020284798	0	58	-1.0	-40.53	432.04	10.83	-29.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020284798	1	58	-1.0	-40.54	432.10	10.85	-29.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020284799	0	55	-1.0	-46.40	406.47	10.23	-36.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020284799	1	55	-1.0	-46.40	406.54	10.24	-36.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020284800	0	58	-1.0	-41.85	437.38	11.42	-30.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020284800	1	58	-1.0	-41.86	437.43	11.43	-30.43
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020284801	0	55	-1.0	-42.20	427.26	10.54	-31.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020284801	1	55	-1.0	-42.18	427.32	10.57	-31.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020284802	0	44	-1.0	-45.09	355.86	5.29	-39.80
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020284802	1	44	-1.0	-45.10	355.92	5.30	-39.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020284803	0	41	-1.0	-44.26	340.37	4.37	-39.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020284803	1	41	-1.0	-44.29	340.43	4.40	-39.89
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020284804	0	48	-1.0	-46.79	390.03	7.37	-39.42
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020284804	1	48	-1.0	-46.78	390.04	7.37	-39.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020284805	0	57	-1.0	-47.56	440.75	5.14	-42.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020284805	1	57	-1.0	-47.56	440.81	5.15	-42.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020284806	0	54	-1.0	-51.40	414.18	4.49	-46.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020284806	1	54	-1.0	-51.38	414.24	4.51	-46.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020284807	0	48	-1.0	-42.56	389.40	6.56	-36.00
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020284807	1	48	-1.0	-42.55	389.35	6.55	-36.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020284808	0	45	-1.0	-47.15	355.80	6.06	-41.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020284808	1	45	-1.0	-47.15	355.74	6.06	-41.09
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020284809	0	52	-1.0	-44.13	414.97	8.54	-35.59
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020284809	1	52	-1.0	-44.12	414.93	8.54	-35.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020284810	0	51	-1.0	-46.24	399.70	6.95	-39.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020284810	1	51	-1.0	-46.25	399.73	6.96	-39.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020284810	1	52	0.0	-67.42	411.81	9.28	-58.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020284811	0	51	-1.0	-43.36	404.07	7.55	-35.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020284811	1	51	-1.0	-43.35	404.13	7.56	-35.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020284812	0	48	-1.0	-49.05	378.46	6.94	-42.11
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020284812	1	48	-1.0	-49.07	378.50	6.95	-42.12
CC1=CC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=NO1	REAL300020284813	0	53	-1.0	-46.75	419.11	5.45	-41.30
CC1=CC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=NO1	REAL300020284813	1	53	-1.0	-46.72	419.17	5.47	-41.25
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020284814	0	50	-1.0	-44.11	409.60	8.34	-35.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020284814	1	50	-1.0	-44.13	409.66	8.36	-35.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020284815	0	47	-1.0	-47.01	385.32	7.96	-39.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020284815	1	47	-1.0	-46.99	385.38	7.96	-39.03
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284816	0	55	-1.0	-43.14	428.89	8.93	-34.21
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284816	1	55	-1.0	-43.14	428.95	8.95	-34.19
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284817	0	52	-1.0	-47.84	397.93	8.60	-39.24
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284817	1	52	-1.0	-47.72	398.22	8.59	-39.13
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284818	0	50	-1.0	-40.36	397.45	6.94	-33.42
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284818	1	50	-1.0	-40.38	397.51	6.95	-33.43
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284819	0	47	-1.0	-41.76	374.11	6.36	-35.40
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284819	1	47	-1.0	-41.73	374.17	6.39	-35.34
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284820	0	54	-1.0	-42.81	418.89	8.98	-33.83
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284820	1	54	-1.0	-42.82	418.93	8.97	-33.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020284821	0	48	-1.0	-41.08	360.10	7.14	-33.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020284821	1	48	-1.0	-41.07	360.16	7.15	-33.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020284822	0	45	-1.0	-42.59	342.61	6.59	-36.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020284822	1	45	-1.0	-42.56	342.56	6.57	-35.99
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020284823	0	52	-1.0	-42.26	392.97	9.45	-32.81
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020284823	1	52	-1.0	-42.22	393.02	9.43	-32.79
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020284824	0	54	-1.0	-40.08	402.99	9.01	-31.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020284824	1	54	-1.0	-40.10	403.05	9.02	-31.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020284825	0	51	-1.0	-46.81	375.85	8.37	-38.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020284825	1	51	-1.0	-46.82	375.93	8.38	-38.44
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)C)C1	REAL300020284826	0	58	-1.0	-41.91	439.56	10.87	-31.04
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)C)C1	REAL300020284826	1	58	-1.0	-41.81	439.63	10.85	-30.96
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284827	0	52	-1.0	-42.73	383.79	5.80	-36.93
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284827	1	52	-1.0	-42.73	383.85	5.82	-36.91
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284828	0	49	-1.0	-43.88	381.12	5.98	-37.90
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284828	1	49	-1.0	-43.88	381.17	6.00	-37.88
COCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284829	0	56	-1.0	-44.03	436.95	8.84	-35.19
COCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284829	1	56	-1.0	-44.00	437.00	8.83	-35.17
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020284830	0	52	-1.0	-40.20	393.27	8.80	-31.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020284830	1	52	-1.0	-40.20	393.33	8.82	-31.38
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020284831	0	49	-1.0	-47.17	364.53	8.34	-38.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020284831	1	49	-1.0	-47.12	364.61	8.35	-38.77
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020284832	0	56	-1.0	-41.47	424.38	10.82	-30.65
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020284832	1	56	-1.0	-41.46	424.39	10.79	-30.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020284833	0	60	-1.0	-41.01	457.86	5.64	-35.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020284833	1	60	-1.0	-41.05	457.92	5.65	-35.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020284833	1	61	0.0	-66.23	460.92	8.11	-58.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020284833	1	61	0.0	-67.22	446.42	8.89	-58.33
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020284834	0	57	-1.0	-42.25	429.82	5.00	-37.25
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020284834	1	57	-1.0	-42.28	429.87	5.03	-37.25
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020284834	1	58	0.0	-61.82	438.60	7.31	-54.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020284834	1	58	0.0	-66.92	432.23	7.33	-59.59
CC1=CC=CC=C1C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284835	0	56	-1.0	-42.15	432.66	9.29	-32.86
CC1=CC=CC=C1C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284835	1	56	-1.0	-42.13	432.72	9.30	-32.83
CC1=CC=CC=C1C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284836	0	53	-1.0	-43.87	417.51	8.29	-35.58
CC1=CC=CC=C1C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284836	1	53	-1.0	-43.84	417.57	8.32	-35.52
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020284837	0	53	-1.0	-41.91	386.54	7.39	-34.52
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020284837	1	53	-1.0	-41.83	386.60	7.41	-34.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020284838	0	50	-1.0	-48.19	359.82	6.78	-41.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020284838	1	50	-1.0	-48.22	359.82	6.79	-41.43
CO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284839	0	46	-1.0	-41.80	356.31	5.45	-36.35
CO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284839	1	46	-1.0	-41.78	356.36	5.47	-36.31
CO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284840	0	43	-1.0	-45.97	334.51	4.93	-41.04
CO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284840	1	43	-1.0	-45.98	334.46	4.91	-41.07
CO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284841	0	50	-1.0	-43.31	394.16	7.71	-35.60
CO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284841	1	50	-1.0	-43.30	394.17	7.70	-35.60
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020284842	0	51	-1.0	-40.06	384.71	8.00	-32.06
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020284842	1	51	-1.0	-40.10	384.77	8.01	-32.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020284843	0	48	-1.0	-43.89	341.26	6.44	-37.45
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020284843	1	48	-1.0	-43.87	341.32	6.47	-37.40
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(C)C1	REAL300020284844	0	55	-1.0	-41.56	415.12	10.47	-31.09
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(C)C1	REAL300020284844	1	55	-1.0	-41.52	415.13	10.46	-31.06
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284845	0	46	-1.0	-42.84	357.07	5.30	-37.54
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284845	1	46	-1.0	-42.81	357.12	5.31	-37.50
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284846	0	43	-1.0	-48.99	330.67	4.89	-44.10
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284846	1	43	-1.0	-49.00	330.61	4.86	-44.14
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284847	0	50	-1.0	-44.17	391.63	7.50	-36.67
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284847	1	50	-1.0	-44.11	391.66	7.49	-36.62
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284848	0	51	-1.0	-41.11	382.76	8.54	-32.57
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284848	1	51	-1.0	-41.13	382.82	8.55	-32.58
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284849	0	48	-1.0	-42.05	370.08	7.61	-34.44
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284849	1	48	-1.0	-42.04	370.13	7.63	-34.41
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284850	0	55	-1.0	-42.50	404.69	9.68	-32.82
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284850	1	55	-1.0	-42.51	404.72	9.67	-32.84
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020284851	0	54	-1.0	-39.71	408.23	9.16	-30.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020284851	1	54	-1.0	-39.73	408.29	9.17	-30.56
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020284852	0	51	-1.0	-42.21	388.29	8.31	-33.90
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020284852	1	51	-1.0	-42.20	388.35	8.34	-33.86
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020284853	0	58	-1.0	-41.78	429.16	11.21	-30.57
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020284853	1	58	-1.0	-41.81	429.18	11.20	-30.61
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284854	0	54	-1.0	-41.42	414.98	9.62	-31.80
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284854	1	54	-1.0	-41.41	415.03	9.63	-31.78
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284855	0	51	-1.0	-41.67	399.05	8.90	-32.77
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284855	1	51	-1.0	-41.68	399.11	8.92	-32.76
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284856	0	58	-1.0	-42.15	447.08	11.63	-30.52
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284856	1	58	-1.0	-42.16	447.12	11.62	-30.54
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCS1	REAL300020284857	0	49	-1.0	-39.13	386.06	8.46	-30.67
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCS1	REAL300020284857	1	49	-1.0	-39.14	386.12	8.48	-30.66
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCS1	REAL300020284858	0	46	-1.0	-40.06	368.84	7.65	-32.41
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCS1	REAL300020284858	1	46	-1.0	-40.07	368.90	7.67	-32.40
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CCS1	REAL300020284859	0	53	-1.0	-41.33	423.32	10.38	-30.95
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CCS1	REAL300020284859	1	53	-1.0	-41.31	423.17	10.37	-30.94
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1	REAL300020284860	0	48	-1.0	-40.94	364.29	7.64	-33.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1	REAL300020284860	1	48	-1.0	-40.94	364.35	7.66	-33.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1	REAL300020284861	0	45	-1.0	-42.79	337.46	6.52	-36.27
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1	REAL300020284861	1	45	-1.0	-42.76	337.40	6.50	-36.26
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020284862	0	52	-1.0	-42.08	391.56	9.48	-32.60
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020284862	1	52	-1.0	-42.03	391.57	9.48	-32.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020284863	0	49	-1.0	-40.50	377.87	8.63	-31.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020284863	1	49	-1.0	-40.52	377.93	8.64	-31.88
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020284864	0	46	-1.0	-42.17	359.28	7.87	-34.30
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020284864	1	46	-1.0	-42.13	359.33	7.88	-34.25
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)(C)C1	REAL300020284865	0	53	-1.0	-41.49	409.24	10.66	-30.83
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)(C)C1	REAL300020284865	1	53	-1.0	-41.54	409.29	10.65	-30.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020284866	0	53	-1.0	-40.07	398.24	7.43	-32.64
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020284866	1	53	-1.0	-40.07	398.29	7.44	-32.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020284867	0	50	-1.0	-42.89	379.45	6.87	-36.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020284867	1	50	-1.0	-42.88	379.52	6.88	-36.00
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284868	0	52	-1.0	-39.92	382.27	6.24	-33.68
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284868	1	52	-1.0	-39.91	382.32	6.25	-33.66
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284869	0	49	-1.0	-41.95	383.28	6.29	-35.66
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284869	1	49	-1.0	-41.90	383.34	6.31	-35.59
CCCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CCO1	REAL300020284870	0	56	-1.0	-42.07	431.18	9.33	-32.74
CCCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CCO1	REAL300020284870	1	56	-1.0	-42.03	431.18	9.32	-32.71
CCCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284871	0	57	-1.0	-39.60	422.29	9.96	-29.64
CCCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284871	1	57	-1.0	-39.60	422.35	9.98	-29.62
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284872	0	54	-1.0	-44.16	384.11	8.29	-35.87
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284872	1	54	-1.0	-44.17	384.17	8.31	-35.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020284873	0	58	-1.0	-54.84	438.46	7.23	-47.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020284873	1	58	-1.0	-54.87	438.52	7.24	-47.63
CCCC(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284874	0	58	-1.0	-50.59	450.46	6.95	-43.64
CCCC(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284874	1	58	-1.0	-50.56	450.52	6.98	-43.58
CCCC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284875	0	58	-1.0	-42.54	452.44	7.38	-35.16
CCCC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284875	1	58	-1.0	-42.51	452.50	7.40	-35.11
CCCC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284876	0	55	-1.0	-43.86	432.62	6.27	-37.59
CCCC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284876	1	55	-1.0	-43.89	432.67	6.29	-37.60
CCCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284877	0	58	-1.0	-49.97	451.24	6.86	-43.11
CCCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284877	1	58	-1.0	-49.98	451.30	6.89	-43.09
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020284878	0	56	-1.0	-48.56	422.59	6.31	-42.25
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020284878	1	56	-1.0	-48.56	422.65	6.32	-42.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020284879	0	53	-1.0	-53.48	417.79	6.39	-47.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020284879	1	53	-1.0	-53.49	417.85	6.41	-47.08
CCCNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284880	0	58	-1.0	-50.76	444.86	6.92	-43.84
CCCNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284880	1	58	-1.0	-50.76	444.92	6.93	-43.83
CCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284881	0	55	-1.0	-50.16	429.75	6.09	-44.07
CCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284881	1	55	-1.0	-50.15	429.80	6.12	-44.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020284882	0	58	-1.0	-43.59	449.54	6.74	-36.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020284882	1	58	-1.0	-43.59	449.60	6.76	-36.83
CNC(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284883	0	48	-1.0	-51.85	375.78	4.24	-47.61
CNC(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284883	1	48	-1.0	-51.81	375.84	4.25	-47.56
CNC(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284884	0	45	-1.0	-52.81	365.69	3.29	-49.52
CNC(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284884	1	45	-1.0	-52.81	365.75	3.31	-49.50
CNC(=O)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020284885	0	52	-1.0	-51.87	414.40	6.36	-45.51
CNC(=O)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020284885	1	52	-1.0	-51.82	414.43	6.36	-45.46
CCCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284886	0	58	-1.0	-44.78	445.89	7.06	-37.72
CCCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284886	1	58	-1.0	-44.72	445.94	7.08	-37.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020284887	0	45	-1.0	-38.99	375.62	7.82	-31.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020284887	1	45	-1.0	-39.01	375.67	7.84	-31.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020284888	0	42	-1.0	-45.26	343.41	7.37	-37.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020284888	1	42	-1.0	-45.27	343.73	7.35	-37.92
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CSC=C1	REAL300020284889	0	49	-1.0	-41.27	401.80	9.75	-31.52
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CSC=C1	REAL300020284889	1	49	-1.0	-41.29	401.83	9.74	-31.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020284890	0	53	-1.0	-48.33	423.97	3.06	-45.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020284890	1	53	-1.0	-48.31	424.03	3.07	-45.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020284891	0	50	-1.0	-51.04	403.04	2.35	-48.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020284891	1	50	-1.0	-50.98	403.10	2.37	-48.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020284892	0	54	-1.0	-43.81	423.20	9.88	-33.93
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020284892	1	54	-1.0	-43.81	423.26	9.90	-33.91
CC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284893	0	57	-1.0	-40.23	442.59	9.52	-30.71
CC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284893	1	57	-1.0	-40.19	442.64	9.54	-30.65
CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284894	0	54	-1.0	-43.50	409.47	8.56	-34.94
CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284894	1	54	-1.0	-43.44	409.52	8.58	-34.86
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020284895	0	50	-1.0	-45.03	405.58	3.59	-41.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020284895	1	50	-1.0	-45.07	405.64	3.60	-41.47
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020284896	0	47	-1.0	-46.01	378.79	2.98	-43.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020284896	1	47	-1.0	-46.04	378.85	3.00	-43.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020284897	0	52	-1.0	-42.70	412.01	5.65	-37.05
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020284897	1	52	-1.0	-42.73	411.96	5.64	-37.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020284898	0	49	-1.0	-49.72	379.29	5.12	-44.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020284898	1	49	-1.0	-49.70	379.25	5.11	-44.59
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020284899	0	55	-1.0	-40.47	422.17	10.75	-29.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020284899	1	55	-1.0	-40.49	422.22	10.77	-29.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020284900	0	52	-1.0	-42.95	406.44	9.87	-33.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020284900	1	52	-1.0	-42.92	406.50	9.89	-33.03
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020284901	0	54	-1.0	-40.51	429.97	10.94	-29.57
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020284901	1	54	-1.0	-40.53	430.03	10.96	-29.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020284902	0	51	-1.0	-46.77	388.22	10.13	-36.64
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020284902	1	51	-1.0	-46.70	388.16	10.11	-36.59
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1	REAL300020284903	0	45	-1.0	-39.64	350.46	7.15	-32.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1	REAL300020284903	1	45	-1.0	-39.60	350.51	7.17	-32.43
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1	REAL300020284904	0	49	-1.0	-41.62	378.22	9.43	-32.19
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1	REAL300020284904	1	49	-1.0	-41.60	378.25	9.41	-32.19
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020284905	0	50	-1.0	-43.26	405.68	8.04	-35.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020284905	1	50	-1.0	-43.23	405.73	8.06	-35.17
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020284906	0	52	-1.0	-47.63	400.30	4.70	-42.93
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020284906	1	52	-1.0	-47.65	400.36	4.71	-42.94
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020284907	0	49	-1.0	-50.88	378.08	3.91	-46.97
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020284907	1	49	-1.0	-50.87	378.14	3.94	-46.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020284908	0	59	0.0	-73.33	437.23	7.95	-65.38
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020284908	1	59	0.0	-73.31	437.28	7.96	-65.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020284909	0	56	0.0	-69.86	415.48	7.13	-62.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020284909	1	56	0.0	-69.84	415.53	7.15	-62.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020284910	0	52	-1.0	-39.91	414.37	7.49	-32.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020284910	1	52	-1.0	-39.92	414.43	7.51	-32.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020284911	0	49	-1.0	-44.46	378.36	7.38	-37.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020284911	1	49	-1.0	-44.45	378.41	7.40	-37.05
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOCC1CC1	REAL300020284912	0	56	-1.0	-43.32	435.21	9.61	-33.71
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOCC1CC1	REAL300020284912	1	56	-1.0	-43.30	435.24	9.61	-33.69
COCCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284913	0	55	-1.0	-42.09	434.34	5.61	-36.48
COCCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284913	1	55	-1.0	-42.12	434.40	5.62	-36.50
COCCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284914	0	52	-1.0	-44.74	417.06	4.94	-39.80
COCCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284914	1	52	-1.0	-44.71	417.12	4.97	-39.74
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020284915	0	57	-1.0	-42.20	434.26	6.63	-35.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020284915	1	57	-1.0	-42.21	434.32	6.66	-35.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020284916	0	55	-1.0	-41.85	426.83	11.07	-30.78
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020284916	1	55	-1.0	-41.78	426.89	11.09	-30.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020284917	0	52	-1.0	-46.86	398.53	11.08	-35.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020284917	1	52	-1.0	-46.91	398.56	11.09	-35.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020284918	0	48	-1.0	-39.81	408.53	9.31	-30.50
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020284918	1	48	-1.0	-39.77	408.59	9.32	-30.45
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020284919	0	45	-1.0	-46.77	374.99	8.85	-37.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020284919	1	45	-1.0	-46.74	375.04	8.86	-37.88
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020284920	0	50	-1.0	-40.71	381.71	6.02	-34.69
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020284920	1	50	-1.0	-40.67	381.76	6.04	-34.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020284921	0	47	-1.0	-43.57	360.64	5.25	-38.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020284921	1	47	-1.0	-43.61	360.70	5.28	-38.33
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020284922	0	54	-1.0	-43.15	416.64	8.44	-34.71
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020284922	1	54	-1.0	-43.18	416.70	8.44	-34.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020284923	0	49	-1.0	-41.13	386.01	6.07	-35.06
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020284923	1	49	-1.0	-41.10	386.07	6.09	-35.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020284924	0	46	-1.0	-42.14	362.27	5.29	-36.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020284924	1	46	-1.0	-42.16	362.33	5.32	-36.84
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020284925	0	53	-1.0	-42.76	409.14	8.27	-34.49
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020284925	1	53	-1.0	-42.77	409.14	8.27	-34.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020284926	0	52	-1.0	-41.55	390.92	7.00	-34.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020284926	1	52	-1.0	-41.63	390.98	7.01	-34.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020284927	0	49	-1.0	-45.15	354.24	5.47	-39.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020284927	1	49	-1.0	-45.12	354.28	5.51	-39.61
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(C)C)C1	REAL300020284928	0	56	-1.0	-42.40	432.59	8.87	-33.53
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(C)C)C1	REAL300020284928	1	56	-1.0	-42.37	432.27	8.84	-33.53
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020284929	0	58	-1.0	-42.40	401.78	5.58	-36.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020284929	1	58	-1.0	-42.38	401.84	5.60	-36.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020284930	0	55	-1.0	-44.09	418.33	7.16	-36.93
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020284930	1	55	-1.0	-44.11	418.39	7.18	-36.93
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284931	0	50	-1.0	-41.44	378.82	4.05	-37.39
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284931	1	50	-1.0	-41.42	378.88	4.07	-37.35
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020284932	0	47	-1.0	-42.17	374.05	4.14	-38.03
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020284932	1	47	-1.0	-42.20	374.11	4.17	-38.03
COCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CCO1	REAL300020284933	0	54	-1.0	-43.16	410.36	5.96	-37.20
COCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CCO1	REAL300020284933	1	54	-1.0	-43.15	410.43	5.95	-37.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020284934	0	53	-1.0	-53.47	416.24	5.25	-48.22
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020284934	1	53	-1.0	-53.46	416.19	5.23	-48.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020284935	0	50	-1.0	-54.64	394.24	5.27	-49.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020284935	1	50	-1.0	-54.70	394.19	5.24	-49.46
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020284936	0	51	-1.0	-41.85	376.85	4.31	-37.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020284936	1	51	-1.0	-41.84	376.91	4.32	-37.52
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020284937	0	48	-1.0	-42.83	374.95	3.98	-38.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020284937	1	48	-1.0	-42.81	375.01	4.00	-38.81
COCCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284938	0	59	-1.0	-40.57	459.45	6.99	-33.58
COCCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284938	1	59	-1.0	-40.56	459.50	7.00	-33.56
COCCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284939	0	56	-1.0	-42.12	433.25	6.36	-35.76
COCCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284939	1	56	-1.0	-42.13	433.31	6.39	-35.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020284940	0	46	-1.0	-40.25	357.79	5.01	-35.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020284940	1	46	-1.0	-40.26	357.85	5.02	-35.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020284941	0	43	-1.0	-42.88	358.44	5.29	-37.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020284941	1	43	-1.0	-42.91	358.50	5.31	-37.60
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020284942	0	44	-1.0	-39.71	372.44	6.17	-33.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020284942	1	44	-1.0	-39.71	372.50	6.19	-33.52
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020284943	0	41	-1.0	-45.19	338.54	5.65	-39.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020284943	1	41	-1.0	-45.17	338.49	5.64	-39.53
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NC=CS1	REAL300020284944	0	48	-1.0	-41.95	397.67	8.12	-33.83
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NC=CS1	REAL300020284944	1	48	-1.0	-41.92	397.71	8.11	-33.81
CCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284945	0	52	-1.0	-40.32	403.10	7.18	-33.14
CCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284945	1	52	-1.0	-40.31	403.16	7.20	-33.11
CCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284946	0	49	-1.0	-41.84	382.42	6.22	-35.62
CCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284946	1	49	-1.0	-41.82	382.48	6.24	-35.58
CCOCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284947	0	56	-1.0	-42.25	428.21	9.10	-33.15
CCOCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284947	1	56	-1.0	-42.22	428.37	9.11	-33.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020284948	0	49	-1.0	-41.14	376.41	6.09	-35.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020284948	1	49	-1.0	-41.17	376.46	6.11	-35.06
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020284949	0	46	-1.0	-46.99	350.05	5.46	-41.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020284949	1	46	-1.0	-47.03	350.10	5.47	-41.56
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCOC1	REAL300020284950	0	53	-1.0	-42.79	408.58	8.18	-34.61
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCOC1	REAL300020284950	1	53	-1.0	-42.81	408.53	8.14	-34.67
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C2)=C1	REAL300020284951	0	55	-1.0	-41.90	427.75	10.61	-31.29
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C2)=C1	REAL300020284951	1	55	-1.0	-41.90	427.81	10.62	-31.28
CC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)=C1	REAL300020284952	0	52	-1.0	-48.13	396.02	9.90	-38.23
CC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)=C1	REAL300020284952	1	52	-1.0	-48.14	396.07	9.91	-38.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020284953	0	55	-1.0	-45.41	428.70	10.80	-34.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020284953	1	55	-1.0	-45.40	428.76	10.83	-34.57
CCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020284954	0	55	-1.0	-45.40	426.95	6.24	-39.16
CCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020284954	1	55	-1.0	-45.46	427.00	6.26	-39.20
CCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284955	0	52	-1.0	-45.55	416.95	5.30	-40.25
CCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284955	1	52	-1.0	-45.55	417.01	5.32	-40.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020284956	0	50	-1.0	-43.50	402.54	7.00	-36.50
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020284956	1	50	-1.0	-43.54	402.60	7.01	-36.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020284957	0	47	-1.0	-46.68	357.02	5.46	-41.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020284957	1	47	-1.0	-46.73	357.07	5.49	-41.24
CCC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCO2)C=C1	REAL300020284958	0	56	-1.0	-45.95	418.00	8.69	-37.26
CCC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCO2)C=C1	REAL300020284958	1	56	-1.0	-45.95	418.04	8.72	-37.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020284959	0	55	-1.0	-42.78	427.53	9.32	-33.46
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020284959	1	55	-1.0	-42.78	427.59	9.34	-33.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020284960	0	52	-1.0	-42.81	416.60	8.42	-34.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020284960	1	52	-1.0	-42.81	416.67	8.44	-34.37
COC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020284961	0	53	-1.0	-48.35	416.14	7.81	-40.54
COC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020284961	1	53	-1.0	-48.34	416.19	7.84	-40.50
CCN(CC)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284962	0	57	-1.0	-49.85	437.74	7.63	-42.22
CCN(CC)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284962	1	57	-1.0	-49.83	437.80	7.65	-42.18
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020284963	0	56	-1.0	-44.10	440.68	9.78	-34.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020284963	1	56	-1.0	-44.13	440.74	9.79	-34.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020284964	0	46	-1.0	-42.58	369.94	7.43	-35.15
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020284964	1	46	-1.0	-42.58	370.00	7.44	-35.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020284965	0	43	-1.0	-43.97	349.53	6.71	-37.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020284965	1	43	-1.0	-44.01	349.59	6.74	-37.27
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020284966	0	50	-1.0	-45.57	391.21	9.56	-36.01
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020284966	1	50	-1.0	-45.50	391.24	9.55	-35.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020284967	0	50	-1.0	-44.44	387.36	6.66	-37.78
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020284967	1	50	-1.0	-44.46	387.42	6.67	-37.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020284968	0	47	-1.0	-44.78	370.97	5.91	-38.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020284968	1	47	-1.0	-44.78	371.02	5.94	-38.84
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020284969	0	47	-1.0	-48.14	370.89	2.74	-45.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020284969	1	47	-1.0	-48.08	370.95	2.76	-45.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020284970	0	44	-1.0	-51.58	346.71	2.19	-49.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020284970	1	44	-1.0	-51.61	346.73	2.22	-49.39
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020284971	0	51	-1.0	-49.42	399.00	4.76	-44.66
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020284971	1	51	-1.0	-49.41	399.06	4.75	-44.66
CC1=CC=C(CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)C=C1	REAL300020284972	0	58	-1.0	-42.46	442.34	11.38	-31.08
CC1=CC=C(CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)C=C1	REAL300020284972	1	58	-1.0	-42.41	442.39	11.41	-31.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020284973	0	57	-1.0	-47.00	425.72	8.71	-38.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020284973	1	57	-1.0	-47.00	425.77	8.72	-38.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020284974	0	51	-1.0	-43.61	411.60	6.32	-37.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020284974	1	51	-1.0	-43.61	411.65	6.34	-37.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020284974	1	52	0.0	-68.89	415.54	8.86	-60.03
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020284975	0	49	-1.0	-41.67	368.29	6.43	-35.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020284975	1	49	-1.0	-41.66	368.35	6.44	-35.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020284976	0	46	-1.0	-45.97	347.91	5.99	-39.98
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020284976	1	46	-1.0	-45.94	347.80	6.03	-39.91
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020284977	0	53	-1.0	-42.58	413.49	8.51	-34.07
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020284977	1	53	-1.0	-42.56	413.55	8.51	-34.05
CCS(=O)(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020284978	0	53	-1.0	-49.44	418.72	3.30	-46.14
CCS(=O)(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020284978	1	53	-1.0	-49.42	418.78	3.32	-46.10
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284979	0	51	-1.0	-41.11	382.76	8.54	-32.57
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284979	1	51	-1.0	-41.13	382.82	8.55	-32.58
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020284980	0	48	-1.0	-42.05	370.08	7.61	-34.44
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020284980	1	48	-1.0	-42.04	370.13	7.63	-34.41
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020284981	0	55	-1.0	-42.50	404.69	9.68	-32.82
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020284981	1	55	-1.0	-42.51	404.72	9.67	-32.84
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020284982	0	53	-1.0	-45.99	424.67	7.16	-38.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020284982	1	53	-1.0	-46.02	424.72	7.17	-38.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020284983	0	50	-1.0	-46.95	396.13	6.47	-40.48
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020284983	1	50	-1.0	-46.97	396.19	6.49	-40.48
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020284984	0	41	-1.0	-39.00	335.35	6.42	-32.58
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020284984	1	41	-1.0	-39.01	335.40	6.43	-32.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020284985	0	38	-1.0	-43.65	322.65	5.25	-38.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020284985	1	38	-1.0	-43.62	322.71	5.27	-38.35
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(F)(F)F	REAL300020284986	0	45	-1.0	-40.42	370.03	8.28	-32.14
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(F)(F)F	REAL300020284986	1	45	-1.0	-40.36	370.10	8.27	-32.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020284987	0	58	-1.0	-45.80	434.91	8.07	-37.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020284987	1	58	-1.0	-45.83	434.96	8.09	-37.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020284988	0	57	-1.0	-41.29	448.33	11.02	-30.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020284988	1	57	-1.0	-41.31	448.39	11.03	-30.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020284989	0	54	-1.0	-43.32	431.20	10.41	-32.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020284989	1	54	-1.0	-43.35	431.27	10.42	-32.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020284990	0	45	-1.0	-40.50	392.59	8.96	-31.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020284990	1	45	-1.0	-40.48	392.65	8.98	-31.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C#N	REAL300020284991	0	45	-1.0	-46.90	357.02	7.17	-39.73
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C#N	REAL300020284991	1	45	-1.0	-46.92	357.08	7.18	-39.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C#N	REAL300020284992	0	42	-1.0	-44.23	347.59	6.38	-37.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C#N	REAL300020284992	1	42	-1.0	-44.18	347.54	6.34	-37.84
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020284993	0	49	-1.0	-46.76	393.68	9.30	-37.46
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020284993	1	49	-1.0	-46.67	393.71	9.29	-37.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020284994	0	58	0.0	-61.58	430.73	9.51	-52.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020284994	1	58	0.0	-61.58	430.78	9.53	-52.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020284995	0	55	0.0	-60.27	403.07	8.65	-51.62
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020284995	1	55	0.0	-60.26	403.11	8.68	-51.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020284996	0	51	-1.0	-39.63	416.35	9.84	-29.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020284996	1	51	-1.0	-39.69	416.41	9.86	-29.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020284997	0	48	-1.0	-42.78	387.36	9.03	-33.75
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020284997	1	48	-1.0	-42.81	387.30	9.00	-33.81
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020284998	0	52	-1.0	-43.80	398.54	4.69	-39.11
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020284998	1	52	-1.0	-43.81	398.60	4.70	-39.11
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020284999	0	49	-1.0	-45.98	383.39	3.72	-42.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020284999	1	49	-1.0	-45.98	383.45	3.75	-42.23
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC[N@@H+]1CCOC	REAL300020285000	0	61	0.0	-70.22	429.02	7.41	-62.81
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC[N@H+]1CCOC	REAL300020285000	1	61	0.0	-60.82	444.81	8.22	-52.60
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCN1CCOC	REAL300020285000	1	60	-1.0	-46.74	424.06	5.81	-40.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020285001	0	51	-1.0	-44.91	387.22	5.50	-39.41
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020285001	1	51	-1.0	-44.94	387.28	5.52	-39.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020285002	0	48	-1.0	-43.43	388.04	5.57	-37.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020285002	1	48	-1.0	-43.48	388.10	5.60	-37.88
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020285003	0	54	-1.0	-41.04	411.72	5.95	-35.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020285003	1	54	-1.0	-41.03	411.78	5.97	-35.06
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020285004	0	51	-1.0	-44.54	384.41	5.39	-39.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020285004	1	51	-1.0	-44.54	384.47	5.41	-39.13
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020285005	0	57	-1.0	-40.33	430.65	6.58	-33.75
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020285005	1	57	-1.0	-40.35	430.70	6.59	-33.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020285006	0	54	-1.0	-43.46	403.40	5.72	-37.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020285006	1	54	-1.0	-43.46	403.45	5.75	-37.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020285007	0	57	-1.0	-41.11	433.52	6.87	-34.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020285007	1	57	-1.0	-41.07	433.58	6.88	-34.19
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020285008	0	54	-1.0	-45.68	385.18	5.51	-40.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020285008	1	54	-1.0	-45.67	385.22	5.53	-40.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020285009	0	54	-1.0	-42.15	409.87	5.69	-36.46
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020285009	1	54	-1.0	-42.18	409.93	5.71	-36.47
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020285010	0	51	-1.0	-41.91	392.50	4.66	-37.25
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020285010	1	51	-1.0	-41.92	392.56	4.68	-37.24
CC(C)COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285011	0	56	-1.0	-48.80	427.34	7.73	-41.07
CC(C)COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285011	1	56	-1.0	-48.76	427.36	7.74	-41.02
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020285012	0	59	-1.0	-39.19	450.40	9.30	-29.89
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020285012	1	59	-1.0	-39.19	450.46	9.31	-29.88
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020285013	0	56	-1.0	-41.48	428.88	8.50	-32.98
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020285013	1	56	-1.0	-41.47	428.94	8.53	-32.94
COC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C2)C=C1	REAL300020285014	0	56	-1.0	-43.63	432.41	9.94	-33.69
COC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C2)C=C1	REAL300020285014	1	56	-1.0	-43.62	432.47	9.95	-33.67
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)C=C1	REAL300020285015	0	53	-1.0	-45.97	405.59	8.15	-37.82
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)C=C1	REAL300020285015	1	53	-1.0	-45.96	405.65	8.18	-37.78
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020285016	0	57	-1.0	-41.32	421.07	9.91	-31.41
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020285016	1	57	-1.0	-41.28	421.14	9.93	-31.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020285017	0	54	-1.0	-41.68	409.00	9.00	-32.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020285017	1	54	-1.0	-41.72	409.05	9.02	-32.70
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1C	REAL300020285018	0	55	-1.0	-40.50	439.35	8.79	-31.71
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1C	REAL300020285018	1	55	-1.0	-40.49	439.41	8.81	-31.68
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1C	REAL300020285019	0	52	-1.0	-43.72	407.60	7.97	-35.75
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1C	REAL300020285019	1	52	-1.0	-43.72	407.66	8.00	-35.72
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285020	0	55	-1.0	-42.43	419.33	10.38	-32.05
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285020	1	55	-1.0	-42.45	419.39	10.39	-32.06
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285021	0	52	-1.0	-44.13	401.38	9.48	-34.65
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285021	1	52	-1.0	-44.12	401.44	9.49	-34.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020285022	0	55	-1.0	-45.81	434.15	10.71	-35.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020285022	1	55	-1.0	-45.91	434.21	10.73	-35.18
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020285023	0	43	-1.0	-47.99	339.35	2.32	-45.67
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020285023	1	43	-1.0	-48.02	339.41	2.34	-45.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020285024	0	40	-1.0	-48.94	318.44	2.34	-46.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020285024	1	40	-1.0	-48.97	318.39	2.32	-46.65
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020285025	0	47	-1.0	-50.62	376.46	4.72	-45.90
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020285025	1	47	-1.0	-50.57	376.46	4.71	-45.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020285026	0	57	-1.0	-51.64	442.89	4.04	-47.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020285026	1	57	-1.0	-51.66	442.95	4.06	-47.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020285027	0	55	-1.0	-49.05	432.54	4.09	-44.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020285027	1	55	-1.0	-49.01	432.59	4.12	-44.89
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020285028	0	55	-1.0	-45.30	442.27	7.04	-38.26
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020285028	1	55	-1.0	-45.31	442.32	7.06	-38.25
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020285029	0	52	-1.0	-49.40	409.64	6.58	-42.82
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020285029	1	52	-1.0	-49.43	409.69	6.60	-42.83
CCNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285030	0	54	-1.0	-46.73	423.76	5.73	-41.00
CCNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285030	1	54	-1.0	-46.76	423.82	5.75	-41.01
CCNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285031	0	51	-1.0	-48.46	400.27	4.96	-43.50
CCNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285031	1	51	-1.0	-48.43	400.32	4.99	-43.44
CNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285032	0	52	-1.0	-44.87	407.60	5.31	-39.56
CNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285032	1	52	-1.0	-44.88	407.66	5.33	-39.55
CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285033	0	49	-1.0	-46.32	387.19	4.60	-41.72
CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285033	1	49	-1.0	-46.31	387.25	4.63	-41.68
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285034	0	51	-1.0	-41.27	405.00	7.78	-33.49
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285034	1	51	-1.0	-41.26	405.06	7.79	-33.47
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285035	0	48	-1.0	-44.30	380.98	7.38	-36.92
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285035	1	48	-1.0	-44.27	381.03	7.40	-36.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020285036	0	50	-1.0	-52.25	413.22	6.76	-45.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020285036	1	50	-1.0	-52.32	413.28	6.78	-45.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020285037	0	52	-1.0	-41.67	415.84	8.38	-33.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020285037	1	52	-1.0	-41.70	415.89	8.39	-33.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020285038	0	49	-1.0	-46.65	386.85	7.94	-38.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020285038	1	49	-1.0	-46.66	386.90	7.97	-38.69
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020285039	0	55	-1.0	-40.10	437.17	8.98	-31.12
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020285039	1	55	-1.0	-40.14	437.23	9.00	-31.14
CCOC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020285040	0	52	-1.0	-46.07	404.53	8.53	-37.54
CCOC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020285040	1	52	-1.0	-46.07	404.59	8.54	-37.53
COC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285041	0	52	-1.0	-41.29	409.00	8.32	-32.97
COC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285041	1	52	-1.0	-41.24	409.06	8.34	-32.90
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285042	0	49	-1.0	-49.78	385.33	7.72	-42.06
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285042	1	49	-1.0	-49.80	385.28	7.71	-42.09
CCC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020285043	0	54	-1.0	-39.16	428.70	10.20	-28.96
CCC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020285043	1	54	-1.0	-39.17	428.76	10.22	-28.95
CCC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020285044	0	51	-1.0	-46.00	396.14	9.76	-36.24
CCC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020285044	1	51	-1.0	-46.00	396.08	9.74	-36.26
CCC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C2=CC=CC=C2O1	REAL300020285045	0	54	-1.0	-42.64	429.59	10.10	-32.54
CCC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C2=CC=CC=C2O1	REAL300020285045	1	54	-1.0	-42.65	429.65	10.12	-32.53
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020285046	0	59	-1.0	-42.43	459.45	10.31	-32.12
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020285046	1	59	-1.0	-42.44	459.52	10.33	-32.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020285047	0	52	-1.0	-40.24	421.13	9.04	-31.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020285047	1	52	-1.0	-40.26	421.18	9.06	-31.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020285048	0	49	-1.0	-44.57	386.93	8.41	-36.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020285048	1	49	-1.0	-44.62	386.97	8.41	-36.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020285049	0	49	-1.0	-43.97	412.98	8.18	-35.79
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020285049	1	49	-1.0	-43.98	413.04	8.21	-35.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020285050	0	49	-1.0	-45.34	402.99	8.49	-36.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020285050	1	49	-1.0	-45.33	403.04	8.51	-36.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020285051	0	57	-1.0	-41.26	442.23	8.53	-32.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020285051	1	57	-1.0	-41.25	442.28	8.55	-32.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020285052	0	52	-1.0	-42.10	422.11	8.48	-33.62
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020285052	1	52	-1.0	-42.06	422.17	8.49	-33.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020285053	0	49	-1.0	-48.11	390.41	7.91	-40.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020285053	1	49	-1.0	-48.13	390.47	7.91	-40.22
CC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285054	0	55	-1.0	-40.29	437.08	9.38	-30.91
CC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285054	1	55	-1.0	-40.30	437.14	9.39	-30.91
CC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285055	0	52	-1.0	-43.14	410.15	8.65	-34.49
CC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285055	1	52	-1.0	-43.11	410.21	8.67	-34.44
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020285056	0	50	-1.0	-45.03	405.58	3.59	-41.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020285056	1	50	-1.0	-45.07	405.64	3.60	-41.47
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020285057	0	47	-1.0	-46.01	378.79	2.98	-43.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020285057	1	47	-1.0	-46.04	378.85	3.00	-43.04
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020285058	0	56	-1.0	-44.08	433.80	6.64	-37.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020285058	1	56	-1.0	-44.07	433.86	6.65	-37.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020285059	0	53	-1.0	-49.33	404.54	5.99	-43.34
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020285059	1	53	-1.0	-49.32	404.57	5.99	-43.33
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2)=C1	REAL300020285060	0	57	-1.0	-40.79	434.90	8.87	-31.92
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020285060	1	57	-1.0	-40.82	434.95	8.89	-31.93
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=C1	REAL300020285061	0	54	-1.0	-46.90	408.18	8.25	-38.65
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020285061	1	54	-1.0	-47.00	408.19	8.26	-38.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020285062	0	54	-1.0	-42.63	425.52	6.53	-36.10
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020285062	1	54	-1.0	-42.63	425.58	6.54	-36.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020285063	0	51	-1.0	-44.56	403.50	5.69	-38.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020285063	1	51	-1.0	-44.55	403.56	5.72	-38.83
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285064	0	49	-1.0	-39.68	381.15	6.18	-33.50
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285064	1	49	-1.0	-39.66	381.21	6.20	-33.46
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285065	0	46	-1.0	-44.92	354.61	5.76	-39.16
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285065	1	46	-1.0	-44.93	354.65	5.76	-39.17
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020285066	0	53	-1.0	-41.68	417.83	8.36	-33.32
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020285066	1	53	-1.0	-41.66	417.87	8.35	-33.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020285067	0	58	0.0	-69.05	447.62	10.69	-58.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020285067	1	58	0.0	-69.04	447.68	10.71	-58.33
COC(=O)C1=C(C)OC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020285068	0	51	-1.0	-42.38	422.11	7.69	-34.69
COC(=O)C1=C(C)OC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020285068	1	51	-1.0	-42.39	422.17	7.71	-34.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020285069	0	50	-1.0	-40.76	394.73	5.33	-35.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020285069	1	50	-1.0	-40.80	394.79	5.34	-35.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020285070	0	47	-1.0	-43.27	374.48	4.67	-38.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020285070	1	47	-1.0	-43.29	374.53	4.70	-38.59
COCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285071	0	54	-1.0	-41.80	418.01	4.58	-37.22
COCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285071	1	54	-1.0	-41.78	418.08	4.60	-37.18
COCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285071	1	55	0.0	-65.94	420.42	6.60	-59.34
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285072	0	51	-1.0	-45.20	397.27	3.72	-41.48
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285072	1	51	-1.0	-45.21	397.33	3.75	-41.46
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285072	1	52	0.0	-64.77	398.99	5.81	-58.96
COC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285073	0	51	-1.0	-46.26	398.76	7.90	-38.36
COC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285073	1	51	-1.0	-46.25	398.82	7.92	-38.33
COC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285074	0	48	-1.0	-46.13	383.64	6.96	-39.17
COC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285074	1	48	-1.0	-46.14	383.69	6.98	-39.16
CCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285075	0	48	-1.0	-40.17	379.17	5.74	-34.43
CCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285075	1	48	-1.0	-40.23	379.23	5.75	-34.48
CCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285076	0	45	-1.0	-42.58	355.66	5.30	-37.28
CCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285076	1	45	-1.0	-42.60	355.71	5.32	-37.28
CCOCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285077	0	52	-1.0	-42.54	410.01	8.13	-34.41
CCOCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285077	1	52	-1.0	-42.54	410.05	8.12	-34.42
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020285078	0	55	-1.0	-45.44	427.21	5.24	-40.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020285078	1	55	-1.0	-45.47	427.27	5.25	-40.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020285079	0	52	-1.0	-47.35	400.49	4.61	-42.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020285079	1	52	-1.0	-47.37	400.54	4.64	-42.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020285080	0	60	-1.0	-42.15	455.70	6.43	-35.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020285080	1	60	-1.0	-42.15	455.76	6.44	-35.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020285080	1	61	0.0	-66.41	461.44	8.69	-57.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020285081	0	57	-1.0	-45.21	439.39	5.45	-39.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020285081	1	57	-1.0	-45.24	439.45	5.48	-39.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020285081	1	58	0.0	-64.93	441.12	7.52	-57.41
COCCC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020285082	0	53	-1.0	-39.84	435.32	4.43	-35.41
COCCC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020285082	1	53	-1.0	-39.83	435.38	4.44	-35.39
COCCC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020285083	0	50	-1.0	-40.48	408.27	3.48	-37.00
COCCC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020285083	1	50	-1.0	-40.49	408.33	3.50	-36.99
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020285084	0	55	-1.0	-42.55	409.49	7.51	-35.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020285084	1	55	-1.0	-42.52	409.54	7.52	-35.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020285085	0	52	-1.0	-42.51	400.13	6.62	-35.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020285085	1	52	-1.0	-42.48	400.19	6.63	-35.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020285086	0	53	-1.0	-40.36	395.90	7.24	-33.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020285086	1	53	-1.0	-40.42	395.96	7.26	-33.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020285087	0	50	-1.0	-45.27	356.34	6.07	-39.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020285087	1	50	-1.0	-45.27	356.39	6.09	-39.18
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020285088	0	59	0.0	-69.07	435.86	7.63	-61.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020285088	1	59	0.0	-69.06	435.91	7.65	-61.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020285089	0	56	0.0	-66.70	415.87	6.87	-59.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020285089	1	56	0.0	-66.72	415.93	6.90	-59.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020285090	0	51	-1.0	-50.86	407.92	8.04	-42.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020285090	1	51	-1.0	-50.82	407.98	8.04	-42.78
COC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285091	0	56	-1.0	-41.07	432.58	9.20	-31.87
COC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285091	1	56	-1.0	-41.08	432.64	9.22	-31.86
COC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285092	0	53	-1.0	-43.91	412.27	8.33	-35.58
COC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285092	1	53	-1.0	-43.94	412.34	8.35	-35.59
CC1=CSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=N1	REAL300020285093	0	50	-1.0	-47.14	396.97	6.30	-40.84
CC1=CSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=N1	REAL300020285093	1	50	-1.0	-47.18	397.00	6.31	-40.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020285094	0	59	0.0	-71.01	432.02	7.94	-63.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020285094	1	59	0.0	-70.98	432.07	7.96	-63.02
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285095	0	63	0.0	-71.21	464.96	10.51	-60.70
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285095	1	63	0.0	-69.65	459.83	10.68	-58.97
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285095	1	63	0.0	-71.21	465.02	10.53	-60.68
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285095	1	63	0.0	-69.67	459.89	10.70	-58.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020285096	0	45	-1.0	-48.15	376.35	8.95	-39.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020285096	1	45	-1.0	-48.17	376.33	8.95	-39.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020285097	0	53	-1.0	-55.94	416.76	3.44	-52.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020285097	1	53	-1.0	-55.95	416.82	3.45	-52.50
CC1=CC(C)=NC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=N1	REAL300020285098	0	55	-1.0	-46.67	434.95	8.06	-38.61
CC1=CC(C)=NC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=N1	REAL300020285098	1	55	-1.0	-46.65	435.00	8.08	-38.57
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020285099	0	55	-1.0	-40.60	424.65	10.63	-29.97
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020285099	1	55	-1.0	-40.58	424.71	10.64	-29.94
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020285100	0	52	-1.0	-42.42	403.15	9.83	-32.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020285100	1	52	-1.0	-42.44	403.21	9.86	-32.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020285101	0	47	-1.0	-55.90	379.80	3.48	-52.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020285101	1	47	-1.0	-55.89	379.85	3.49	-52.40
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020285102	0	44	-1.0	-56.63	369.71	2.53	-54.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020285102	1	44	-1.0	-56.62	369.77	2.56	-54.06
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=C1C	REAL300020285103	0	57	-1.0	-42.16	432.75	9.34	-32.82
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1C	REAL300020285103	1	57	-1.0	-42.15	432.81	9.36	-32.79
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020285104	0	50	-1.0	-41.53	407.76	8.17	-33.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020285104	1	50	-1.0	-41.54	407.82	8.18	-33.36
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020285105	0	47	-1.0	-46.05	373.69	8.46	-37.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020285105	1	47	-1.0	-46.09	373.75	8.46	-37.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020285106	0	57	-1.0	-43.25	434.81	9.73	-33.52
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020285106	1	57	-1.0	-43.28	434.87	9.76	-33.52
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020285107	0	54	-1.0	-43.71	418.80	6.23	-37.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020285107	1	54	-1.0	-43.73	418.86	6.24	-37.49
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020285108	0	51	-1.0	-50.43	386.81	5.43	-45.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020285108	1	51	-1.0	-50.43	386.88	5.43	-45.00
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285109	0	48	-1.0	-41.67	367.06	8.42	-33.25
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285109	1	48	-1.0	-41.70	367.12	8.44	-33.26
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285110	0	45	-1.0	-44.29	345.69	7.24	-37.05
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285110	1	45	-1.0	-44.27	345.63	7.21	-37.06
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020285111	0	52	-1.0	-42.06	406.38	9.69	-32.37
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020285111	1	52	-1.0	-42.05	406.43	9.68	-32.37
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020285112	0	49	-1.0	-40.62	376.92	8.17	-32.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020285112	1	49	-1.0	-40.69	376.98	8.18	-32.51
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020285113	0	46	-1.0	-45.13	348.36	7.69	-37.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020285113	1	46	-1.0	-45.13	348.42	7.71	-37.42
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020285114	0	53	-1.0	-42.08	404.15	10.25	-31.83
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020285114	1	53	-1.0	-42.07	404.18	10.25	-31.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020285115	0	53	-1.0	-45.75	421.07	10.43	-35.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020285115	1	53	-1.0	-45.73	421.12	10.45	-35.28
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020285116	0	55	-1.0	-44.27	431.38	9.06	-35.21
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020285116	1	55	-1.0	-44.29	431.44	9.08	-35.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020285117	0	52	-1.0	-44.38	421.38	8.11	-36.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020285117	1	52	-1.0	-44.35	421.44	8.14	-36.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020285118	0	45	-1.0	-44.79	377.55	9.03	-35.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020285118	1	45	-1.0	-44.73	377.12	9.04	-35.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020285119	0	56	-1.0	-42.56	433.17	7.64	-34.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020285119	1	56	-1.0	-42.52	433.22	7.66	-34.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020285120	0	53	-1.0	-48.51	398.13	7.10	-41.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020285120	1	53	-1.0	-48.53	398.15	7.11	-41.42
CC1=NOC(C2(C)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=N1	REAL300020285121	0	53	-1.0	-51.37	415.03	5.66	-45.71
CC1=NOC(C2(C)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=N1	REAL300020285121	1	53	-1.0	-51.32	415.09	5.69	-45.63
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020285122	0	43	-1.0	-43.84	348.94	6.68	-37.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020285122	1	43	-1.0	-43.84	349.00	6.70	-37.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020285123	0	40	-1.0	-48.09	333.68	5.90	-42.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020285123	1	40	-1.0	-48.11	333.74	5.91	-42.20
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020285124	0	47	-1.0	-46.33	386.76	8.96	-37.37
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020285124	1	47	-1.0	-46.28	386.82	8.97	-37.31
CC(C)COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285125	0	55	-1.0	-39.98	426.04	7.85	-32.13
CC(C)COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285125	1	55	-1.0	-40.01	426.10	7.86	-32.15
CC(C)COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285126	0	52	-1.0	-41.55	402.81	7.29	-34.26
CC(C)COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285126	1	52	-1.0	-41.59	402.87	7.31	-34.28
CC(C)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285127	0	60	-1.0	-39.69	448.29	10.50	-29.19
CC(C)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285127	1	60	-1.0	-39.69	448.35	10.51	-29.18
CC(C)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285128	0	57	-1.0	-45.19	421.75	10.07	-35.12
CC(C)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285128	1	57	-1.0	-45.21	421.79	10.08	-35.13
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285129	0	57	-1.0	-39.54	428.07	9.69	-29.85
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285129	1	57	-1.0	-39.56	428.13	9.70	-29.86
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285130	0	54	-1.0	-42.54	407.24	8.95	-33.59
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285130	1	54	-1.0	-42.54	407.30	8.98	-33.56
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020285131	0	55	-1.0	-39.63	420.29	8.06	-31.57
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020285131	1	55	-1.0	-39.63	420.35	8.08	-31.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020285132	0	52	-1.0	-40.91	398.78	7.27	-33.64
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020285132	1	52	-1.0	-40.93	398.84	7.29	-33.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020285133	0	45	-1.0	-42.05	359.30	6.92	-35.13
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020285133	1	45	-1.0	-42.12	359.34	6.93	-35.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020285134	0	42	-1.0	-42.80	341.05	5.93	-36.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020285134	1	42	-1.0	-42.81	341.00	5.91	-36.90
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=COC=C1	REAL300020285135	0	49	-1.0	-42.55	392.90	8.76	-33.79
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=COC=C1	REAL300020285135	1	49	-1.0	-42.52	392.94	8.75	-33.77
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020285136	0	57	0.0	-61.38	416.10	8.37	-53.01
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020285136	1	57	0.0	-61.37	416.16	8.38	-52.99
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020285137	0	54	0.0	-60.18	395.25	7.65	-52.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020285137	1	54	0.0	-60.17	395.31	7.67	-52.50
CC1=NOC(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C2)=N1	REAL300020285138	0	53	-1.0	-43.81	422.31	6.51	-37.30
CC1=NOC(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C2)=N1	REAL300020285138	1	53	-1.0	-43.77	422.37	6.52	-37.25
CC1=NOC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)=N1	REAL300020285139	0	50	-1.0	-44.87	400.85	5.71	-39.16
CC1=NOC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)=N1	REAL300020285139	1	50	-1.0	-44.86	400.91	5.73	-39.13
CC1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2)=N1	REAL300020285140	0	53	-1.0	-42.50	425.80	6.38	-36.12
CC1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2)=N1	REAL300020285140	1	53	-1.0	-42.51	425.86	6.40	-36.11
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=N1	REAL300020285141	0	50	-1.0	-43.39	395.92	5.69	-37.70
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=N1	REAL300020285141	1	50	-1.0	-43.39	395.97	5.71	-37.68
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020285142	0	50	-1.0	-43.86	405.92	4.85	-39.01
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020285142	1	50	-1.0	-43.89	405.97	4.88	-39.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020285143	0	51	-1.0	-42.37	413.67	9.66	-32.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020285143	1	51	-1.0	-42.35	413.73	9.67	-32.68
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020285144	0	48	-1.0	-43.83	392.19	8.87	-34.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020285144	1	48	-1.0	-43.85	392.25	8.89	-34.96
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020285145	0	50	-1.0	-40.63	374.01	8.34	-32.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020285145	1	50	-1.0	-40.66	374.06	8.37	-32.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020285146	0	47	-1.0	-41.42	356.81	7.27	-34.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020285146	1	47	-1.0	-41.39	356.76	7.25	-34.14
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020285147	0	54	-1.0	-42.54	401.87	9.22	-33.32
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020285147	1	54	-1.0	-42.49	401.89	9.22	-33.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020285148	0	52	-1.0	-41.63	403.13	7.07	-34.56
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020285148	1	52	-1.0	-41.65	403.18	7.08	-34.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020285149	0	49	-1.0	-48.12	370.75	6.55	-41.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020285149	1	49	-1.0	-48.09	370.82	6.55	-41.54
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCCO1	REAL300020285150	0	56	-1.0	-42.66	428.01	9.22	-33.44
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCCO1	REAL300020285150	1	56	-1.0	-42.64	428.05	9.21	-33.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020285151	0	49	-1.0	-42.61	389.32	5.06	-37.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020285151	1	49	-1.0	-42.67	389.37	5.08	-37.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020285152	0	46	-1.0	-46.45	365.48	4.42	-42.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020285152	1	46	-1.0	-46.52	365.53	4.42	-42.10
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020285153	0	52	-1.0	-47.87	420.53	5.56	-42.31
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020285153	1	52	-1.0	-47.86	420.59	5.57	-42.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020285154	0	49	-1.0	-49.74	393.22	4.97	-44.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020285154	1	49	-1.0	-49.76	393.17	4.95	-44.81
CCCCCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285155	0	62	-1.0	-41.11	466.66	11.40	-29.71
CCCCCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285155	1	62	-1.0	-41.12	466.72	11.41	-29.71
CCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285156	0	59	-1.0	-42.20	456.85	10.51	-31.69
CCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285156	1	59	-1.0	-42.21	456.91	10.54	-31.67
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=CO1	REAL300020285157	0	48	-1.0	-40.22	386.29	7.57	-32.65
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=CO1	REAL300020285157	1	48	-1.0	-40.24	386.33	7.59	-32.65
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=CO1	REAL300020285158	0	45	-1.0	-42.68	363.21	6.61	-36.07
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=CO1	REAL300020285158	1	45	-1.0	-42.65	363.15	6.59	-36.06
CC1=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C=CO1	REAL300020285159	0	52	-1.0	-42.47	413.94	9.59	-32.88
CC1=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C=CO1	REAL300020285159	1	52	-1.0	-42.42	413.98	9.58	-32.84
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020285160	0	58	-1.0	-39.40	433.99	8.31	-31.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020285160	1	58	-1.0	-39.39	434.05	8.32	-31.07
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020285161	0	55	-1.0	-45.26	405.07	7.75	-37.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020285161	1	55	-1.0	-45.26	405.13	7.75	-37.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020285162	0	60	-1.0	-39.46	464.33	11.09	-28.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020285162	1	60	-1.0	-39.45	464.39	11.10	-28.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020285163	0	57	-1.0	-41.42	440.54	10.33	-31.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020285163	1	57	-1.0	-41.45	440.60	10.35	-31.10
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020285164	0	48	-1.0	-40.06	391.80	8.89	-31.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020285164	1	48	-1.0	-40.04	391.86	8.90	-31.14
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020285165	0	45	-1.0	-44.93	358.86	8.36	-36.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020285165	1	45	-1.0	-44.90	358.80	8.35	-36.55
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285166	0	51	-1.0	-39.95	398.45	9.25	-30.70
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285166	1	51	-1.0	-39.96	398.50	9.27	-30.69
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285167	0	48	-1.0	-42.44	379.04	8.46	-33.98
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285167	1	48	-1.0	-42.45	378.98	8.44	-34.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020285168	0	49	-1.0	-48.91	392.43	7.88	-41.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020285168	1	49	-1.0	-48.91	392.48	7.90	-41.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020285169	0	57	-1.0	-39.42	448.36	10.70	-28.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020285169	1	57	-1.0	-39.43	448.42	10.71	-28.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020285170	0	54	-1.0	-41.39	424.56	9.93	-31.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020285170	1	54	-1.0	-41.42	424.62	9.96	-31.46
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2C)=C1	REAL300020285171	0	57	-1.0	-46.41	430.71	8.89	-37.52
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2C)=C1	REAL300020285171	1	57	-1.0	-46.42	430.74	8.91	-37.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020285172	0	48	-1.0	-39.11	405.69	9.31	-29.80
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020285172	1	48	-1.0	-39.12	405.75	9.32	-29.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020285173	0	45	-1.0	-44.76	369.92	8.82	-35.94
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020285173	1	45	-1.0	-44.77	369.96	8.84	-35.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020285174	0	56	-1.0	-43.14	441.49	9.53	-33.61
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020285174	1	56	-1.0	-43.17	441.55	9.55	-33.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020285175	0	53	-1.0	-50.95	409.40	9.00	-41.95
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020285175	1	53	-1.0	-50.93	409.50	9.00	-41.93
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020285176	0	54	0.0	-70.59	376.93	7.43	-63.16
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020285176	1	54	0.0	-64.72	401.57	8.39	-56.33
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020285176	1	53	-1.0	-39.99	394.93	5.80	-34.19
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020285176	1	53	-1.0	-39.93	394.98	5.81	-34.12
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020285177	0	51	0.0	-62.10	383.01	7.42	-54.68
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020285177	1	51	0.0	-61.30	380.68	7.52	-53.78
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020285177	1	51	0.0	-62.07	382.95	7.40	-54.67
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020285177	1	51	0.0	-61.30	380.62	7.50	-53.80
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1C	REAL300020285177	1	50	-1.0	-46.14	370.41	5.45	-40.69
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1C	REAL300020285177	1	50	-1.0	-46.13	370.30	5.45	-40.68
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1C	REAL300020285178	0	58	0.0	-73.66	418.89	9.41	-64.25
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1C	REAL300020285178	1	58	0.0	-69.81	424.06	10.22	-59.59
CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1C	REAL300020285178	1	57	-1.0	-41.83	431.38	7.64	-34.19
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020285179	0	56	-1.0	-51.10	418.89	8.04	-43.06
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020285179	1	56	-1.0	-51.15	418.95	8.06	-43.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020285180	0	53	-1.0	-53.42	401.89	7.61	-45.81
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020285180	1	53	-1.0	-53.43	401.94	7.63	-45.80
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020285181	0	52	-1.0	-42.64	392.80	7.06	-35.58
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020285181	1	52	-1.0	-42.62	392.85	7.07	-35.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020285182	0	49	-1.0	-48.08	368.82	6.51	-41.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020285182	1	49	-1.0	-48.12	368.50	6.54	-41.58
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCOCC1	REAL300020285183	0	56	-1.0	-43.41	431.52	9.17	-34.24
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCOCC1	REAL300020285183	1	56	-1.0	-43.41	431.49	9.16	-34.25
C=C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285184	0	46	-1.0	-40.95	352.93	7.68	-33.27
C=C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285184	1	46	-1.0	-40.92	352.99	7.69	-33.23
C=C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285185	0	43	-1.0	-45.81	330.72	7.08	-38.73
C=C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285185	1	43	-1.0	-45.80	330.67	7.07	-38.73
C=C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020285186	0	50	-1.0	-41.35	389.30	9.86	-31.49
C=C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020285186	1	50	-1.0	-41.34	389.33	9.85	-31.49
CCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285187	0	50	-1.0	-41.26	375.71	8.27	-32.99
CCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285187	1	50	-1.0	-41.26	375.77	8.28	-32.98
CCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285188	0	47	-1.0	-41.13	364.76	7.40	-33.73
CCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285188	1	47	-1.0	-41.08	364.70	7.37	-33.71
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285189	0	54	-1.0	-41.60	412.01	10.28	-31.32
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285189	1	54	-1.0	-41.58	412.03	10.27	-31.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020285190	0	49	-1.0	-41.85	367.68	7.13	-34.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020285190	1	49	-1.0	-41.84	367.74	7.14	-34.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020285191	0	46	-1.0	-45.07	367.52	7.31	-37.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020285191	1	46	-1.0	-45.00	367.57	7.33	-37.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020285192	0	52	-1.0	-42.51	406.91	9.83	-32.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020285192	1	52	-1.0	-42.46	406.96	9.84	-32.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020285193	0	49	-1.0	-45.24	382.50	8.92	-36.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020285193	1	49	-1.0	-45.21	382.56	8.94	-36.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020285194	0	52	-1.0	-40.42	413.70	9.94	-30.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020285194	1	52	-1.0	-40.38	413.76	9.96	-30.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020285195	0	49	-1.0	-48.18	352.81	8.08	-40.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020285195	1	49	-1.0	-48.22	352.86	8.08	-40.14
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1	REAL300020285196	0	56	-1.0	-44.15	435.94	9.16	-34.99
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020285196	1	56	-1.0	-44.12	435.99	9.19	-34.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020285197	0	57	-1.0	-40.19	414.67	9.31	-30.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020285197	1	57	-1.0	-40.21	414.72	9.32	-30.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020285198	0	54	-1.0	-42.56	398.24	8.43	-34.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020285198	1	54	-1.0	-42.54	398.30	8.45	-34.09
CC1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1	REAL300020285199	0	58	-1.0	-44.44	449.15	11.32	-33.12
CC1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020285199	1	58	-1.0	-44.46	449.21	11.34	-33.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020285200	0	51	-1.0	-45.70	402.23	8.23	-37.47
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020285200	1	51	-1.0	-45.70	402.29	8.23	-37.47
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1	REAL300020285201	0	45	-1.0	-40.42	350.17	7.01	-33.41
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1	REAL300020285201	1	45	-1.0	-40.40	350.23	7.03	-33.37
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1	REAL300020285202	0	49	-1.0	-42.41	373.34	8.82	-33.59
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1	REAL300020285202	1	49	-1.0	-42.36	373.37	8.81	-33.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020285203	0	52	-1.0	-40.32	390.43	8.55	-31.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020285203	1	52	-1.0	-40.32	390.50	8.57	-31.75
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020285204	0	49	-1.0	-46.68	359.65	8.19	-38.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020285204	1	49	-1.0	-46.65	359.73	8.19	-38.46
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020285205	0	56	-1.0	-41.68	419.53	10.58	-31.10
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020285205	1	56	-1.0	-41.71	419.59	10.57	-31.14
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285206	0	52	-1.0	-40.42	397.93	6.88	-33.54
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285206	1	52	-1.0	-40.42	397.99	6.89	-33.53
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285207	0	49	-1.0	-41.55	384.76	6.06	-35.49
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285207	1	49	-1.0	-41.51	384.82	6.08	-35.43
COCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020285208	0	56	-1.0	-40.92	431.05	8.61	-32.31
COCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020285208	1	56	-1.0	-40.92	431.06	8.61	-32.31
CC1=CC=CC(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=C1	REAL300020285209	0	57	-1.0	-43.27	440.36	9.25	-34.02
CC1=CC=CC(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020285209	1	57	-1.0	-43.32	440.42	9.26	-34.06
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1(C)C	REAL300020285210	0	55	-1.0	-44.83	394.13	6.56	-38.27
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1(C)C	REAL300020285210	1	55	-1.0	-44.84	394.19	6.57	-38.27
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1(C)C	REAL300020285211	0	52	-1.0	-52.04	385.36	6.96	-45.08
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1(C)C	REAL300020285211	1	52	-1.0	-51.96	385.16	6.98	-44.98
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020285212	0	54	-1.0	-45.70	421.82	8.99	-36.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020285212	1	54	-1.0	-45.72	421.87	9.02	-36.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020285213	0	48	-1.0	-52.63	373.95	2.98	-49.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020285213	1	48	-1.0	-52.61	374.01	3.00	-49.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020285214	0	45	-1.0	-56.93	339.08	2.44	-54.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020285214	1	45	-1.0	-56.88	339.12	2.43	-54.45
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020285215	0	49	-1.0	-43.57	382.17	8.09	-35.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020285215	1	49	-1.0	-43.57	382.22	8.11	-35.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020285216	0	46	-1.0	-43.99	367.06	7.14	-36.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020285216	1	46	-1.0	-43.98	367.12	7.17	-36.81
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020285217	0	53	-1.0	-44.79	414.62	10.18	-34.61
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020285217	1	53	-1.0	-44.84	414.73	10.14	-34.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020285218	0	50	-1.0	-40.19	386.92	6.86	-33.33
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020285218	1	50	-1.0	-40.20	386.98	6.88	-33.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020285219	0	47	-1.0	-41.83	365.95	5.84	-35.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020285219	1	47	-1.0	-41.80	366.01	5.86	-35.94
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020285220	0	54	-1.0	-41.96	416.72	8.67	-33.29
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020285220	1	54	-1.0	-41.89	416.74	8.67	-33.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020285221	0	49	-1.0	-43.20	397.92	6.98	-36.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020285221	1	49	-1.0	-43.16	397.87	6.96	-36.20
CCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020285222	0	52	-1.0	-40.42	392.38	7.15	-33.27
CCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020285222	1	52	-1.0	-40.41	392.44	7.17	-33.24
CCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020285223	0	49	-1.0	-42.25	375.85	6.22	-36.03
CCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020285223	1	49	-1.0	-42.31	375.91	6.24	-36.07
CCC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CCO1	REAL300020285224	0	56	-1.0	-42.44	416.87	9.10	-33.34
CCC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CCO1	REAL300020285224	1	56	-1.0	-42.44	416.90	9.10	-33.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020285225	0	51	-1.0	-50.36	403.53	4.67	-45.69
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020285225	1	51	-1.0	-50.38	403.58	4.69	-45.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020285226	0	48	-1.0	-53.65	385.73	4.11	-49.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020285226	1	48	-1.0	-53.67	385.78	4.13	-49.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020285227	0	56	-1.0	-41.13	415.75	5.61	-35.52
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020285227	1	56	-1.0	-41.17	415.81	5.62	-35.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020285228	0	53	-1.0	-42.31	416.81	5.64	-36.67
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020285228	1	53	-1.0	-42.33	416.86	5.67	-36.66
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285229	0	50	-1.0	-53.02	409.03	4.09	-48.93
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285229	1	50	-1.0	-53.08	409.09	4.10	-48.98
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285230	0	47	-1.0	-56.17	391.17	3.41	-52.76
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285230	1	47	-1.0	-56.17	391.23	3.44	-52.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020285231	0	50	-1.0	-43.30	390.17	6.40	-36.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020285231	1	50	-1.0	-43.31	390.23	6.41	-36.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020285232	0	47	-1.0	-45.62	364.62	5.54	-40.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020285232	1	47	-1.0	-45.67	364.68	5.56	-40.11
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020285233	0	54	-1.0	-44.34	417.88	8.25	-36.09
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020285233	1	54	-1.0	-44.32	417.92	8.24	-36.08
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020285234	0	50	-1.0	-41.58	409.67	7.61	-33.97
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020285234	1	50	-1.0	-41.53	409.73	7.63	-33.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020285235	0	47	-1.0	-43.73	392.41	6.73	-37.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020285235	1	47	-1.0	-43.74	392.46	6.76	-36.98
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020285236	0	48	-1.0	-45.40	365.71	4.84	-40.56
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020285236	1	48	-1.0	-45.41	365.77	4.86	-40.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020285237	0	45	-1.0	-48.75	337.01	4.21	-44.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020285237	1	45	-1.0	-48.76	337.06	4.21	-44.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020285238	0	48	-1.0	-42.85	365.83	7.03	-35.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020285238	1	48	-1.0	-42.88	365.89	7.04	-35.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020285239	0	45	-1.0	-43.03	363.14	7.20	-35.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020285239	1	45	-1.0	-43.00	363.20	7.23	-35.77
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020285240	0	52	-1.0	-40.17	418.72	8.95	-31.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020285240	1	52	-1.0	-40.18	418.78	8.97	-31.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020285241	0	49	-1.0	-45.97	388.59	8.29	-37.68
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020285241	1	49	-1.0	-45.97	388.51	8.27	-37.70
COCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285242	0	56	-1.0	-51.29	434.87	4.82	-46.47
COCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285242	1	56	-1.0	-51.29	434.91	4.83	-46.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020285243	0	56	-1.0	-47.32	404.63	4.41	-42.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020285243	1	56	-1.0	-47.31	404.66	4.41	-42.90
CCNC(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285244	0	57	-1.0	-48.81	443.93	4.00	-44.81
CCNC(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285244	1	57	-1.0	-48.82	443.99	4.01	-44.81
CCNC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285245	0	54	-1.0	-51.71	422.26	3.22	-48.49
CCNC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285245	1	54	-1.0	-51.72	422.32	3.25	-48.47
CC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285246	0	52	-1.0	-43.13	410.35	5.81	-37.32
CC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285246	1	52	-1.0	-43.16	410.41	5.83	-37.33
CC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285247	0	49	-1.0	-44.43	390.52	4.70	-39.73
CC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285247	1	49	-1.0	-44.46	390.57	4.72	-39.74
CCOC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285248	0	56	-1.0	-44.07	431.61	5.93	-38.14
CCOC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285248	1	56	-1.0	-44.13	431.66	5.95	-38.18
CCOC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285249	0	53	-1.0	-42.96	423.50	5.07	-37.89
CCOC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285249	1	53	-1.0	-42.99	423.56	5.10	-37.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020285250	0	51	-1.0	-41.00	405.34	9.46	-31.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020285250	1	51	-1.0	-40.96	405.40	9.47	-31.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020285251	0	48	-1.0	-43.10	381.82	9.05	-34.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020285251	1	48	-1.0	-43.07	381.76	9.03	-34.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020285252	0	61	0.0	-64.70	445.50	10.01	-54.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020285252	1	61	0.0	-64.69	445.44	10.00	-54.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020285253	0	58	0.0	-65.72	417.29	9.36	-56.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020285253	1	58	0.0	-65.72	417.34	9.37	-56.35
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1C	REAL300020285254	0	57	-1.0	-47.14	425.16	8.79	-38.35
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1C	REAL300020285254	1	57	-1.0	-47.17	425.19	8.80	-38.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020285255	0	52	-1.0	-53.08	411.83	8.40	-44.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020285255	1	52	-1.0	-53.03	411.72	8.41	-44.62
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020285256	0	58	0.0	-65.68	428.54	9.56	-56.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020285256	1	58	0.0	-65.70	428.59	9.58	-56.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020285257	0	55	0.0	-62.06	403.94	8.88	-53.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020285257	1	55	0.0	-62.04	403.99	8.91	-53.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020285258	0	61	0.0	-65.65	440.64	10.30	-55.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020285258	1	61	0.0	-65.67	440.70	10.33	-55.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020285259	0	54	0.0	-64.77	398.78	8.36	-56.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)CC1	REAL300020285259	1	53	-1.0	-40.05	395.86	6.09	-33.96
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020285259	1	53	-1.0	-40.00	395.91	6.10	-33.90
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020285260	0	51	0.0	-61.17	377.04	7.55	-53.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020285260	1	51	0.0	-61.15	376.99	7.52	-53.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)CC1	REAL300020285260	1	50	-1.0	-41.98	371.34	5.09	-36.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020285260	1	50	-1.0	-41.99	371.39	5.12	-36.87
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020285261	0	58	0.0	-69.99	420.66	10.04	-59.95
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)C)CC1	REAL300020285261	1	57	-1.0	-40.96	428.04	7.55	-33.41
COCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285262	0	45	-1.0	-40.25	357.32	4.76	-35.49
COCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285262	1	45	-1.0	-40.21	357.37	4.78	-35.43
COCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285263	0	49	-1.0	-42.65	388.16	7.16	-35.49
COCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285263	1	49	-1.0	-42.63	388.20	7.14	-35.49
CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285264	0	51	-1.0	-40.09	385.52	7.90	-32.19
CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285264	1	51	-1.0	-40.08	385.58	7.92	-32.16
CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285265	0	48	-1.0	-47.55	339.87	6.23	-41.32
CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285265	1	48	-1.0	-47.53	339.86	6.22	-41.31
CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285266	0	55	-1.0	-41.80	411.31	10.05	-31.75
CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285266	1	55	-1.0	-41.84	411.33	10.05	-31.79
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020285267	0	47	-1.0	-41.18	381.45	7.25	-33.93
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020285267	1	47	-1.0	-41.14	381.50	7.27	-33.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020285268	0	44	-1.0	-43.15	360.00	6.49	-36.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020285268	1	44	-1.0	-43.16	359.95	6.47	-36.69
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020285269	0	51	-1.0	-44.73	407.27	8.93	-35.80
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020285269	1	51	-1.0	-44.62	407.38	8.94	-35.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020285270	0	48	-1.0	-39.91	360.53	7.46	-32.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020285270	1	48	-1.0	-39.93	360.59	7.48	-32.45
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020285271	0	45	-1.0	-46.65	325.50	6.92	-39.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020285271	1	45	-1.0	-46.65	325.45	6.93	-39.72
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCC1	REAL300020285272	0	52	-1.0	-41.44	390.46	9.27	-32.17
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCC1	REAL300020285272	1	52	-1.0	-41.42	390.47	9.26	-32.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020285273	0	51	-1.0	-43.03	394.56	9.44	-33.59
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020285273	1	51	-1.0	-43.01	394.62	9.45	-33.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020285274	0	48	-1.0	-43.94	376.09	8.52	-35.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020285274	1	48	-1.0	-43.94	376.02	8.49	-35.45
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020285275	0	45	-1.0	-41.77	358.43	9.16	-32.61
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020285275	1	45	-1.0	-41.76	358.49	9.18	-32.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020285276	0	42	-1.0	-47.38	338.27	8.34	-39.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020285276	1	42	-1.0	-47.37	338.22	8.32	-39.05
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC=C1	REAL300020285277	0	49	-1.0	-45.68	375.36	11.99	-33.69
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC=C1	REAL300020285277	1	49	-1.0	-45.64	375.40	11.99	-33.65
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020285278	0	46	-1.0	-40.31	356.33	5.40	-34.91
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020285278	1	46	-1.0	-40.30	356.39	5.41	-34.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020285279	0	43	-1.0	-41.45	334.81	4.50	-36.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020285279	1	43	-1.0	-41.55	334.75	4.47	-37.08
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOCC1	REAL300020285280	0	50	-1.0	-42.85	375.88	7.63	-35.22
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOCC1	REAL300020285280	1	50	-1.0	-42.88	375.92	7.62	-35.26
COC1=CC=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020285281	0	46	-1.0	-44.29	368.78	8.55	-35.74
COC1=CC=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020285281	1	46	-1.0	-44.27	368.73	8.53	-35.74
COC1=CC=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020285282	0	43	-1.0	-44.40	351.08	7.68	-36.72
COC1=CC=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020285282	1	43	-1.0	-44.39	351.03	7.66	-36.73
COC1=CC=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C=C1	REAL300020285283	0	50	-1.0	-45.11	399.53	10.44	-34.67
COC1=CC=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C=C1	REAL300020285283	1	50	-1.0	-45.14	399.48	10.46	-34.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020285284	0	46	-1.0	-40.56	360.93	7.15	-33.41
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020285284	1	46	-1.0	-40.57	360.99	7.16	-33.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020285285	0	43	-1.0	-43.09	344.28	6.46	-36.63
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020285285	1	43	-1.0	-43.10	344.34	6.49	-36.61
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCSC1	REAL300020285286	0	50	-1.0	-41.72	390.43	9.43	-32.29
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCSC1	REAL300020285286	1	50	-1.0	-41.71	390.41	9.43	-32.28
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020285287	0	54	-1.0	-42.76	425.98	8.30	-34.46
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020285287	1	54	-1.0	-42.75	426.03	8.32	-34.43
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020285288	0	51	-1.0	-43.90	410.07	7.34	-36.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020285288	1	51	-1.0	-43.90	410.13	7.37	-36.53
CCNC(=O)N[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@H]1OC	REAL300020285289	0	55	-1.0	-56.71	427.59	2.84	-53.87
CCNC(=O)N[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@H]1OC	REAL300020285289	1	55	-1.0	-56.74	427.62	2.85	-53.89
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285290	0	57	0.0	-63.44	417.37	8.92	-54.52
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285290	1	57	0.0	-63.39	417.43	8.93	-54.46
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285291	0	54	0.0	-60.48	392.48	8.12	-52.36
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285291	1	54	0.0	-60.50	392.53	8.15	-52.35
COC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C12CCC2	REAL300020285292	0	56	-1.0	-42.64	424.32	8.12	-34.52
COC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C12CCC2	REAL300020285292	1	56	-1.0	-42.65	424.38	8.14	-34.51
COC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C12CCC2	REAL300020285293	0	53	-1.0	-49.13	395.69	7.60	-41.53
COC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C12CCC2	REAL300020285293	1	53	-1.0	-49.12	395.75	7.60	-41.52
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020285294	0	52	-1.0	-51.15	391.01	4.44	-46.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020285294	1	52	-1.0	-51.21	391.07	4.47	-46.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020285295	0	55	-1.0	-40.80	407.77	10.91	-29.89
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020285295	1	55	-1.0	-40.78	407.82	10.92	-29.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020285296	0	52	-1.0	-46.24	383.37	10.58	-35.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020285296	1	52	-1.0	-46.23	383.42	10.58	-35.65
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020285297	0	54	-1.0	-39.87	388.44	9.00	-30.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020285297	1	54	-1.0	-39.83	388.50	9.02	-30.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020285298	0	51	-1.0	-42.17	373.54	8.55	-33.62
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020285298	1	51	-1.0	-42.19	373.60	8.58	-33.61
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020285299	0	58	-1.0	-41.47	414.70	10.95	-30.52
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020285299	1	58	-1.0	-41.48	414.73	10.94	-30.54
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020285300	0	53	-1.0	-43.98	407.43	7.65	-36.33
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020285300	1	53	-1.0	-43.97	407.49	7.66	-36.31
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020285301	0	50	-1.0	-50.44	378.99	6.96	-43.48
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020285301	1	50	-1.0	-50.46	378.91	6.96	-43.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020285302	0	56	-1.0	-41.40	440.20	9.23	-32.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020285302	1	56	-1.0	-41.42	440.26	9.25	-32.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020285303	0	53	-1.0	-43.37	411.50	9.30	-34.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020285303	1	53	-1.0	-43.39	411.56	9.33	-34.06
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020285304	0	50	-1.0	-41.42	364.06	5.89	-35.53
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020285304	1	50	-1.0	-41.45	364.12	5.91	-35.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020285305	0	47	-1.0	-43.16	348.72	5.19	-37.97
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020285305	1	47	-1.0	-43.15	348.78	5.22	-37.93
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020285306	0	54	-1.0	-42.91	412.77	8.64	-34.27
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020285306	1	54	-1.0	-42.81	412.80	8.63	-34.18
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020285307	0	61	0.0	-69.07	431.42	9.59	-59.48
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020285307	1	61	0.0	-62.67	442.23	10.30	-52.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020285307	1	61	0.0	-69.06	431.47	9.60	-59.46
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020285307	1	61	0.0	-62.70	442.28	10.31	-52.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020285308	0	58	0.0	-66.60	417.50	9.37	-57.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020285308	1	58	0.0	-64.50	426.49	9.57	-54.93
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCC2)CC(C)C1	REAL300020285308	1	58	0.0	-66.59	417.56	9.38	-57.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCC2)CC(C)C1	REAL300020285308	1	58	0.0	-64.47	426.56	9.59	-54.88
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020285309	0	56	-1.0	-40.59	417.18	8.05	-32.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020285309	1	56	-1.0	-40.62	417.24	8.06	-32.56
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020285310	0	53	-1.0	-45.24	378.81	7.07	-38.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020285310	1	53	-1.0	-45.21	378.86	7.07	-38.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020285311	0	53	-1.0	-40.89	401.89	8.06	-32.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020285311	1	53	-1.0	-40.88	401.95	8.08	-32.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020285312	0	50	-1.0	-42.85	399.22	7.98	-34.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2OC(C)C1	REAL300020285312	1	50	-1.0	-42.84	399.16	7.96	-34.88
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020285313	0	57	-1.0	-41.18	438.26	8.46	-32.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020285313	1	58	0.0	-70.39	440.70	10.74	-59.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020285313	1	57	-1.0	-41.14	438.31	8.48	-32.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020285314	0	54	-1.0	-43.82	421.46	7.32	-36.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020285314	1	55	0.0	-67.28	419.18	9.95	-57.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020285314	1	54	-1.0	-43.84	421.52	7.35	-36.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020285315	0	53	-1.0	-40.05	381.04	6.82	-33.23
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020285315	1	53	-1.0	-40.05	381.10	6.83	-33.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020285316	0	50	-1.0	-42.21	374.87	7.05	-35.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020285316	1	50	-1.0	-42.19	374.93	7.07	-35.12
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020285317	0	57	0.0	-63.67	416.01	8.99	-54.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020285317	1	57	0.0	-64.07	414.07	8.70	-55.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020285317	1	57	0.0	-63.68	416.07	9.00	-54.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020285317	1	57	0.0	-64.07	414.13	8.72	-55.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020285318	0	54	0.0	-60.60	389.66	8.26	-52.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020285318	1	54	0.0	-57.71	386.44	7.82	-49.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)C)CC1	REAL300020285318	1	54	0.0	-60.64	389.72	8.28	-52.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)C)CC1	REAL300020285318	1	54	0.0	-57.72	386.50	7.84	-49.88
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020285319	0	60	0.0	-64.31	420.19	9.54	-54.77
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020285319	1	60	0.0	-61.66	418.59	8.80	-52.86
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020285319	1	60	0.0	-64.25	420.25	9.54	-54.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020285319	1	60	0.0	-61.72	418.65	8.82	-52.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020285320	0	57	0.0	-62.43	392.64	7.83	-54.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020285320	1	57	0.0	-62.18	391.41	7.77	-54.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C(C)(C)C)CC1	REAL300020285320	1	57	0.0	-62.42	392.70	7.86	-54.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C(C)(C)C)CC1	REAL300020285320	1	57	0.0	-62.18	391.47	7.79	-54.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020285321	0	59	0.0	-66.30	425.66	7.80	-58.50
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020285321	1	59	0.0	-66.45	412.75	6.59	-59.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020285321	1	59	0.0	-66.29	425.71	7.83	-58.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020285321	1	59	0.0	-66.40	412.81	6.62	-59.78
CON(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285322	0	43	-1.0	-41.71	343.70	7.82	-33.89
CON(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285322	1	43	-1.0	-41.63	343.76	7.81	-33.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020285323	0	61	-1.0	-41.96	421.74	8.94	-33.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020285323	1	61	-1.0	-41.94	421.79	8.97	-32.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020285324	0	58	-1.0	-42.28	416.97	8.63	-33.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020285324	1	58	-1.0	-42.25	417.03	8.65	-33.60
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C)C1	REAL300020285325	0	49	-1.0	-41.12	373.11	5.95	-35.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C)C1	REAL300020285325	1	49	-1.0	-41.13	373.17	5.96	-35.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C)C1	REAL300020285326	0	46	-1.0	-43.00	355.93	5.78	-37.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C)C1	REAL300020285326	1	46	-1.0	-43.00	355.99	5.81	-37.19
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOC(C)C1	REAL300020285327	0	53	-1.0	-43.06	404.95	8.57	-34.49
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOC(C)C1	REAL300020285327	1	53	-1.0	-43.04	404.98	8.57	-34.47
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CCC1C(=O)NCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285330	1	53	-1.0	-45.96	406.92	6.18	-39.78
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285331	0	49	-1.0	-54.18	367.78	3.59	-50.59
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285331	1	49	-1.0	-54.15	367.84	3.62	-50.53
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285332	0	46	-1.0	-57.57	357.29	3.46	-54.11
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285332	1	46	-1.0	-57.53	357.23	3.44	-54.09
CNC(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285333	0	53	-1.0	-51.28	407.97	6.06	-45.22
CNC(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285333	1	53	-1.0	-51.25	408.03	6.05	-45.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020285334	0	56	-1.0	-46.21	402.51	10.58	-35.63
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020285334	1	56	-1.0	-46.18	402.56	10.60	-35.58
COC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285335	0	46	-1.0	-41.35	356.13	4.47	-36.88
COC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285335	1	46	-1.0	-41.37	356.18	4.49	-36.88
COC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285336	0	43	-1.0	-44.95	334.61	3.68	-41.27
COC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285336	1	43	-1.0	-44.94	334.67	3.70	-41.24
COC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020285337	0	50	-1.0	-43.41	398.36	7.04	-36.37
COC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020285337	1	50	-1.0	-43.33	398.41	7.04	-36.29
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C	REAL300020285338	0	48	-1.0	-40.22	352.92	6.82	-33.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C	REAL300020285338	1	48	-1.0	-40.25	352.97	6.84	-33.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C	REAL300020285339	0	45	-1.0	-43.15	337.39	6.00	-37.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C	REAL300020285339	1	45	-1.0	-43.14	337.33	5.98	-37.16
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020285340	0	52	-1.0	-41.58	400.70	8.93	-32.65
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1(C)C	REAL300020285340	1	52	-1.0	-41.52	400.60	8.91	-32.61
CCC1CC(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285341	0	51	-1.0	-40.63	388.78	7.56	-33.07
CCC1CC(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285341	1	51	-1.0	-40.54	388.83	7.57	-32.97
CCC1CC(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285342	0	48	-1.0	-49.09	345.98	6.37	-42.72
CCC1CC(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285342	1	48	-1.0	-49.12	345.92	6.35	-42.77
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285343	0	55	-1.0	-42.90	402.47	9.19	-33.71
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285343	1	55	-1.0	-42.84	402.50	9.17	-33.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020285344	0	46	-1.0	-40.33	345.02	4.78	-35.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020285344	1	46	-1.0	-40.37	345.08	4.79	-35.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020285345	0	43	-1.0	-42.13	340.49	4.91	-37.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020285345	1	43	-1.0	-42.13	340.44	4.89	-37.24
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020285346	0	50	-1.0	-42.20	390.93	7.72	-34.48
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020285346	1	50	-1.0	-42.24	390.98	7.71	-34.53
CC(C)CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285347	0	57	-1.0	-41.04	402.86	9.78	-31.26
CC(C)CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285347	1	57	-1.0	-41.05	402.92	9.79	-31.26
CC(C)CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285348	0	54	-1.0	-46.15	384.08	8.93	-37.22
CC(C)CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285348	1	54	-1.0	-46.16	384.13	8.96	-37.20
CCCC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285349	0	57	-1.0	-41.93	399.50	7.46	-34.47
CCCC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285349	1	57	-1.0	-41.91	399.55	7.46	-34.45
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285350	0	54	-1.0	-49.54	376.80	6.94	-42.60
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285350	1	54	-1.0	-49.54	376.81	6.96	-42.58
COC1=CC=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020285351	0	46	-1.0	-46.99	367.71	8.34	-38.65
COC1=CC=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020285351	1	46	-1.0	-46.96	367.65	8.32	-38.64
COC1=CC=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020285352	0	43	-1.0	-47.93	351.06	7.71	-40.22
COC1=CC=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020285352	1	43	-1.0	-47.95	351.00	7.69	-40.26
COC1=CC=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)=C1	REAL300020285353	0	50	-1.0	-48.07	399.62	10.38	-37.69
COC1=CC=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)=C1	REAL300020285353	1	50	-1.0	-48.12	399.58	10.40	-37.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C)C=C1	REAL300020285354	0	42	-1.0	-43.64	348.07	8.10	-35.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C)C=C1	REAL300020285354	1	42	-1.0	-43.69	348.01	8.09	-35.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C)C=C1	REAL300020285355	0	39	-1.0	-46.21	320.50	7.34	-38.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C)C=C1	REAL300020285355	1	39	-1.0	-46.24	320.44	7.33	-38.91
CC(C)CN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020285356	0	46	-1.0	-46.08	381.91	10.46	-35.62
CC(C)CN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020285356	1	46	-1.0	-46.11	381.83	10.46	-35.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020285357	0	42	-1.0	-47.49	345.60	7.07	-40.42
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020285357	1	42	-1.0	-47.49	345.54	7.05	-40.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020285358	0	39	-1.0	-50.96	318.71	6.38	-44.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020285358	1	39	-1.0	-50.95	318.65	6.37	-44.58
CC(C)CN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020285359	0	46	-1.0	-49.41	380.39	9.41	-40.00
CC(C)CN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020285359	1	46	-1.0	-49.39	380.04	9.41	-39.98
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020285360	0	51	-1.0	-40.88	363.44	6.47	-34.41
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020285360	1	51	-1.0	-40.87	363.50	6.49	-34.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020285361	0	48	-1.0	-43.18	353.20	6.21	-36.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020285361	1	48	-1.0	-43.10	353.14	6.19	-36.91
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C(C)C	REAL300020285362	0	55	-1.0	-41.29	393.61	8.56	-32.73
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C(C)C	REAL300020285362	1	55	-1.0	-41.25	393.69	8.55	-32.70
COC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020285363	0	52	-1.0	-46.10	416.28	8.99	-37.11
COC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020285363	1	52	-1.0	-46.12	416.34	9.01	-37.11
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020285364	0	59	-1.0	-44.43	433.36	9.21	-35.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020285364	1	59	-1.0	-44.42	433.40	9.22	-35.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020285365	0	57	-1.0	-49.42	428.71	8.89	-40.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020285365	1	57	-1.0	-49.41	428.77	8.90	-40.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020285366	0	51	-1.0	-45.97	376.89	2.49	-43.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020285366	1	51	-1.0	-46.03	376.94	2.50	-43.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020285367	0	48	-1.0	-49.31	354.10	2.02	-47.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020285367	1	48	-1.0	-49.28	354.21	2.02	-47.26
CON1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285368	0	54	-1.0	-40.80	413.27	5.98	-34.82
CON1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285368	1	54	-1.0	-40.79	413.33	5.99	-34.80
CON1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285369	0	51	-1.0	-42.91	392.18	4.51	-38.40
CON1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285369	1	51	-1.0	-42.93	392.24	4.53	-38.40
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285370	0	57	-1.0	-43.44	442.18	8.63	-34.81
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285370	1	57	-1.0	-43.49	442.13	8.62	-34.87
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285371	0	54	-1.0	-49.26	412.98	7.54	-41.72
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285371	1	54	-1.0	-49.29	412.93	7.53	-41.76
CCC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020285372	0	51	-1.0	-41.19	402.56	10.27	-30.92
CCC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020285372	1	51	-1.0	-41.20	402.62	10.29	-30.91
CCC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020285373	0	48	-1.0	-46.03	365.56	10.80	-35.23
CCC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020285373	1	48	-1.0	-46.05	365.51	10.77	-35.28
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020285374	0	52	-1.0	-40.09	385.85	8.80	-31.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020285374	1	52	-1.0	-40.09	385.91	8.81	-31.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020285375	0	49	-1.0	-45.75	358.27	8.01	-37.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020285375	1	49	-1.0	-45.75	358.33	8.03	-37.72
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020285376	0	56	-1.0	-42.82	412.62	10.36	-32.46
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020285376	1	56	-1.0	-42.81	412.64	10.34	-32.47
COC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285377	0	49	-1.0	-44.08	369.11	5.72	-38.36
COC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285377	1	49	-1.0	-44.06	369.17	5.74	-38.32
COC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285378	0	46	-1.0	-46.58	348.13	5.10	-41.48
COC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285378	1	46	-1.0	-46.63	348.19	5.12	-41.51
COC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020285379	0	53	-1.0	-45.36	401.68	7.94	-37.42
COC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020285379	1	53	-1.0	-45.29	401.72	7.94	-37.35
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020285380	0	46	-1.0	-40.93	369.04	8.44	-32.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020285380	1	46	-1.0	-40.99	369.10	8.46	-32.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020285381	0	43	-1.0	-46.30	343.03	7.80	-38.50
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020285381	1	43	-1.0	-46.32	342.98	7.79	-38.53
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020285382	0	46	-1.0	-42.98	360.48	7.93	-35.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020285382	1	46	-1.0	-43.00	360.54	7.95	-35.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020285383	0	43	-1.0	-46.28	338.60	7.77	-38.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020285383	1	43	-1.0	-46.29	338.66	7.78	-38.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020285384	0	51	-1.0	-41.89	389.81	8.88	-33.01
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020285384	1	51	-1.0	-41.91	389.86	8.91	-33.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020285385	0	48	-1.0	-42.46	373.40	7.48	-34.98
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020285385	1	48	-1.0	-42.46	373.45	7.50	-34.96
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020285386	0	55	-1.0	-42.33	419.71	10.50	-31.83
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020285386	1	55	-1.0	-42.32	419.75	10.49	-31.83
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020285387	0	49	-1.0	-40.90	396.57	9.77	-31.13
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020285387	1	49	-1.0	-40.93	396.62	9.78	-31.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020285388	0	46	-1.0	-43.78	373.49	8.71	-35.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020285388	1	46	-1.0	-43.82	373.54	8.74	-35.08
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020285389	0	57	-1.0	-41.10	433.55	6.69	-34.41
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020285389	1	57	-1.0	-41.12	433.61	6.71	-34.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020285390	0	54	-1.0	-45.67	409.71	6.12	-39.55
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020285390	1	54	-1.0	-45.66	409.76	6.12	-39.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020285391	0	50	-1.0	-43.08	370.53	6.04	-37.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020285391	1	50	-1.0	-43.09	370.58	6.06	-37.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020285392	0	47	-1.0	-44.24	348.85	5.83	-38.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020285392	1	47	-1.0	-44.22	348.91	5.86	-38.36
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020285393	0	54	-1.0	-43.75	410.13	8.64	-35.11
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020285393	1	54	-1.0	-43.81	410.18	8.63	-35.18
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020285394	0	50	-1.0	-55.18	392.54	2.34	-52.84
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020285394	1	50	-1.0	-55.12	392.60	2.35	-52.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020285395	0	47	-1.0	-50.67	384.31	1.79	-48.88
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020285395	1	47	-1.0	-50.66	384.35	1.82	-48.84
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020285396	0	52	-1.0	-39.97	388.09	4.61	-35.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020285396	1	52	-1.0	-39.98	388.15	4.62	-35.36
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020285397	0	49	-1.0	-42.92	372.46	3.14	-39.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020285397	1	49	-1.0	-42.94	372.51	3.16	-39.78
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CO)C1C	REAL300020285398	0	56	-1.0	-42.56	419.79	6.88	-35.68
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CO)C1C	REAL300020285398	1	56	-1.0	-42.50	419.83	6.88	-35.62
CC(=O)C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020285399	0	51	-1.0	-46.44	410.34	9.01	-37.43
CC(=O)C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020285399	1	51	-1.0	-46.41	410.40	9.03	-37.38
CC(=O)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020285400	0	48	-1.0	-47.25	385.95	8.11	-39.14
CC(=O)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020285400	1	48	-1.0	-47.22	385.89	8.08	-39.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020285401	0	63	-1.0	-40.78	436.85	9.89	-30.89
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020285401	1	63	-1.0	-40.82	436.91	9.90	-30.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020285402	0	60	-1.0	-45.07	419.06	8.89	-36.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020285402	1	60	-1.0	-45.04	419.11	8.89	-36.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020285403	0	59	-1.0	-44.10	456.53	7.71	-36.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020285403	1	59	-1.0	-44.05	456.59	7.73	-36.32
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CC(C)(C)C1	REAL300020285404	0	54	-1.0	-40.25	400.16	9.20	-31.05
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CC(C)(C)C1	REAL300020285404	1	54	-1.0	-40.27	400.21	9.21	-31.06
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CC(C)(C)C1	REAL300020285405	0	51	-1.0	-43.20	390.28	7.95	-35.25
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CC(C)(C)C1	REAL300020285405	1	51	-1.0	-43.21	390.33	7.98	-35.23
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C)C1CC(C)(C)C1	REAL300020285406	0	58	-1.0	-42.25	433.07	10.42	-31.83
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C)C1CC(C)(C)C1	REAL300020285406	1	58	-1.0	-42.22	433.12	10.41	-31.81
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020285407	0	53	-1.0	-42.37	388.53	8.83	-33.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020285407	1	53	-1.0	-42.39	388.58	8.84	-33.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020285408	0	50	-1.0	-43.02	388.62	9.04	-33.98
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020285408	1	50	-1.0	-42.99	388.68	9.06	-33.93
COC1=CC=CC([C@H]2C[C@H](N(C)C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)=C1	REAL300020285409	0	56	-1.0	-44.72	438.34	8.87	-35.85
COC1=CC=CC([C@H]2C[C@H](N(C)C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)=C1	REAL300020285409	1	56	-1.0	-44.78	438.39	8.89	-35.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020285410	0	53	-1.0	-43.72	413.75	8.73	-34.99
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020285410	1	53	-1.0	-43.73	413.81	8.74	-34.99
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020285411	0	50	-1.0	-45.24	390.42	7.93	-37.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020285411	1	50	-1.0	-45.27	390.48	7.96	-37.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020285412	0	56	-1.0	-44.81	420.22	10.72	-34.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020285412	1	56	-1.0	-44.84	420.28	10.73	-34.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC1	REAL300020285413	0	48	-1.0	-40.67	362.34	7.59	-33.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC1	REAL300020285413	1	48	-1.0	-40.70	361.34	7.59	-33.11
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC1	REAL300020285414	0	45	-1.0	-42.87	342.15	7.17	-35.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC1	REAL300020285414	1	45	-1.0	-42.85	342.10	7.16	-35.69
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020285415	0	52	-1.0	-41.62	399.13	9.65	-31.97
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020285415	1	52	-1.0	-41.56	399.16	9.64	-31.92
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020285416	0	46	-1.0	-41.45	351.78	4.95	-36.50
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020285416	1	46	-1.0	-41.46	351.84	4.96	-36.50
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020285417	0	43	-1.0	-46.47	337.48	5.19	-41.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020285417	1	43	-1.0	-46.49	337.56	5.20	-41.29
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020285418	0	50	-1.0	-44.42	378.26	6.94	-37.48
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020285418	1	50	-1.0	-44.38	378.28	6.93	-37.45
COCC(COC)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285419	0	58	-1.0	-47.00	442.02	4.70	-42.30
COCC(COC)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285419	1	58	-1.0	-46.95	442.07	4.72	-42.23
COCC(COC)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285419	1	59	0.0	-63.66	438.32	7.17	-56.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020285420	0	58	0.0	-64.64	438.68	10.44	-54.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020285420	1	58	0.0	-63.15	441.41	10.26	-52.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020285420	1	57	-1.0	-45.15	417.87	7.37	-37.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020285420	1	57	-1.0	-45.11	417.93	7.40	-37.71
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285421	0	55	-1.0	-42.76	423.55	10.85	-31.91
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285421	1	55	-1.0	-42.73	423.61	10.86	-31.87
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285422	0	52	-1.0	-47.70	392.22	8.33	-39.37
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285422	1	52	-1.0	-47.71	392.29	8.35	-39.36
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020285423	0	56	-1.0	-58.19	415.80	7.63	-50.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020285423	1	56	-1.0	-58.21	415.86	7.65	-50.56
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020285424	0	52	-1.0	-41.43	382.36	8.14	-33.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020285424	1	52	-1.0	-41.45	382.41	8.15	-33.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020285425	0	49	-1.0	-42.98	369.20	8.20	-34.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020285425	1	49	-1.0	-42.98	369.26	8.22	-34.76
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020285426	0	56	-1.0	-40.97	428.32	10.79	-30.18
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020285426	1	56	-1.0	-40.99	428.36	10.78	-30.21
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1C	REAL300020285427	0	54	-1.0	-39.56	424.40	9.96	-29.60
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1C	REAL300020285427	1	54	-1.0	-39.58	424.45	9.97	-29.61
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1C	REAL300020285428	0	51	-1.0	-42.93	397.61	9.16	-33.77
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1C	REAL300020285428	1	51	-1.0	-42.96	397.54	9.14	-33.82
CNC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285429	0	54	-1.0	-47.06	424.58	4.15	-42.91
CNC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285429	1	54	-1.0	-47.09	424.64	4.16	-42.93
CNC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285430	0	51	-1.0	-49.70	401.08	3.75	-45.95
CNC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285430	1	51	-1.0	-49.69	401.13	3.77	-45.92
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020285431	0	50	-1.0	-42.14	395.05	7.96	-34.18
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020285431	1	50	-1.0	-42.16	395.11	7.98	-34.18
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020285432	0	47	-1.0	-44.10	381.48	7.12	-36.98
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020285432	1	47	-1.0	-44.14	381.41	7.10	-37.04
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020285433	0	57	-1.0	-41.08	414.09	9.22	-31.86
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020285433	1	57	-1.0	-41.11	414.14	9.24	-31.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020285434	0	54	-1.0	-46.66	390.83	8.58	-38.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020285434	1	54	-1.0	-46.66	390.90	8.59	-38.07
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1Cl	REAL300020285435	0	49	-1.0	-45.07	403.55	7.78	-37.29
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1Cl	REAL300020285435	1	49	-1.0	-45.01	403.62	7.81	-37.20
COC(=O)C1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285436	0	54	-1.0	-43.57	397.86	7.64	-35.93
COC(=O)C1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285436	1	54	-1.0	-43.58	397.93	7.67	-35.91
COC(=O)C1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285437	0	51	-1.0	-48.01	393.84	7.89	-40.12
COC(=O)C1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285437	1	51	-1.0	-48.03	393.90	7.91	-40.12
COCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285438	0	51	-1.0	-41.43	400.60	6.29	-35.14
COCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285438	1	51	-1.0	-41.45	400.66	6.30	-35.15
COCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285439	0	48	-1.0	-44.20	382.74	5.61	-38.59
COCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285439	1	48	-1.0	-44.18	382.80	5.64	-38.54
COCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285440	0	55	-1.0	-44.04	424.94	8.57	-35.47
COCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285440	1	55	-1.0	-44.04	424.98	8.56	-35.48
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020285441	0	56	-1.0	-39.50	426.69	8.68	-30.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020285441	1	56	-1.0	-39.53	426.75	8.70	-30.83
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020285442	0	53	-1.0	-42.63	407.87	8.12	-34.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020285442	1	53	-1.0	-42.57	407.93	8.13	-34.44
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285443	0	49	-1.0	-41.96	389.40	6.15	-35.81
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285443	1	49	-1.0	-41.98	389.46	6.17	-35.81
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020285444	0	60	-1.0	-40.54	403.05	10.56	-29.98
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020285444	1	60	-1.0	-40.49	403.11	10.57	-29.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020285445	0	57	-1.0	-41.61	379.87	9.54	-32.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020285445	1	57	-1.0	-41.55	379.93	9.57	-31.98
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020285446	0	51	-1.0	-42.82	368.00	7.09	-35.73
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020285446	1	51	-1.0	-42.84	368.05	7.10	-35.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020285447	0	48	-1.0	-47.51	342.05	6.64	-40.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020285447	1	48	-1.0	-47.50	342.02	6.62	-40.88
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1C	REAL300020285448	0	55	-1.0	-43.41	396.43	9.00	-34.41
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1C	REAL300020285448	1	55	-1.0	-43.37	396.46	8.99	-34.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020285449	0	51	-1.0	-40.51	406.07	8.68	-31.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020285449	1	51	-1.0	-40.52	406.13	8.70	-31.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020285450	0	48	-1.0	-41.40	385.76	7.92	-33.48
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020285450	1	48	-1.0	-41.37	385.82	7.94	-33.43
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC(CC)O1	REAL300020285451	0	55	-1.0	-39.74	421.00	8.08	-31.66
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC(CC)O1	REAL300020285451	1	55	-1.0	-39.75	421.06	8.09	-31.66
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC(CC)O1	REAL300020285452	0	52	-1.0	-45.17	394.97	7.44	-37.73
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC(CC)O1	REAL300020285452	1	52	-1.0	-45.18	395.04	7.44	-37.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020285453	0	55	-1.0	-40.79	443.01	7.30	-33.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020285453	1	55	-1.0	-40.80	443.07	7.32	-33.48
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020285454	0	52	-1.0	-42.36	426.14	6.67	-35.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020285454	1	52	-1.0	-42.41	426.21	6.69	-35.72
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020285455	0	52	-1.0	-42.48	407.34	8.99	-33.49
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020285455	1	52	-1.0	-42.52	407.40	9.00	-33.52
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020285456	0	49	-1.0	-43.70	380.73	9.00	-34.70
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020285456	1	49	-1.0	-43.70	380.67	8.98	-34.72
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285457	0	49	-1.0	-47.13	386.72	4.88	-42.25
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285457	1	49	-1.0	-47.12	386.78	4.89	-42.23
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285458	0	46	-1.0	-49.69	367.15	4.03	-45.66
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285458	1	46	-1.0	-49.71	367.21	4.04	-45.67
CC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020285459	0	53	-1.0	-49.05	410.58	6.81	-42.24
CC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020285459	1	53	-1.0	-49.03	410.62	6.80	-42.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020285460	0	55	-1.0	-40.44	413.89	9.52	-30.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020285460	1	55	-1.0	-40.39	413.94	9.53	-30.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020285461	0	52	-1.0	-42.56	390.11	8.85	-33.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020285461	1	52	-1.0	-42.58	390.16	8.88	-33.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020285462	0	49	-1.0	-41.66	389.68	11.19	-30.47
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020285462	1	49	-1.0	-41.64	389.74	11.21	-30.43
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020285463	0	46	-1.0	-46.73	367.87	10.39	-36.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020285463	1	46	-1.0	-46.73	367.82	10.37	-36.36
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285464	0	58	-1.0	-41.64	450.82	10.02	-31.62
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285464	1	58	-1.0	-41.64	450.87	10.03	-31.61
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285465	0	55	-1.0	-43.71	434.95	9.03	-34.68
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285465	1	55	-1.0	-43.71	435.01	9.05	-34.66
COCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285466	0	61	0.0	-64.39	448.44	7.65	-56.74
COCC(C)(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285466	1	60	-1.0	-40.31	440.61	5.61	-34.70
COCC(C)(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285466	1	60	-1.0	-40.34	440.67	5.62	-34.72
COCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285467	0	58	0.0	-61.21	426.91	6.87	-54.34
COCC(C)(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285467	1	57	-1.0	-42.68	424.51	4.64	-38.04
COCC(C)(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285467	1	57	-1.0	-42.66	424.57	4.66	-38.00
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020285468	0	51	-1.0	-46.97	408.02	6.60	-40.37
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020285468	1	51	-1.0	-46.96	407.96	6.58	-40.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020285469	0	48	-1.0	-46.97	386.53	5.82	-41.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020285469	1	48	-1.0	-46.96	386.47	5.80	-41.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020285470	0	51	-1.0	-41.05	364.36	6.53	-34.52
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020285470	1	51	-1.0	-41.07	364.42	6.54	-34.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020285471	0	48	-1.0	-46.99	342.33	6.35	-40.64
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020285471	1	48	-1.0	-46.97	342.37	6.36	-40.61
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020285472	0	55	-1.0	-41.55	425.01	9.56	-31.99
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020285472	1	55	-1.0	-41.55	425.14	9.57	-31.98
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020285473	0	52	-1.0	-43.98	418.99	8.94	-35.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020285473	1	52	-1.0	-44.03	419.05	8.95	-35.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020285474	0	49	-1.0	-44.90	396.15	8.60	-36.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(C#N)=C1	REAL300020285474	1	49	-1.0	-44.92	396.09	8.57	-36.35
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020285475	0	58	-1.0	-41.77	446.37	11.49	-30.28
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020285475	1	58	-1.0	-41.73	446.43	11.50	-30.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020285476	0	55	-1.0	-47.49	419.48	10.90	-36.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020285476	1	55	-1.0	-47.46	419.43	10.89	-36.57
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020285477	0	51	-1.0	-41.13	394.33	7.24	-33.89
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020285477	1	51	-1.0	-41.11	394.38	7.25	-33.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020285478	0	48	-1.0	-42.55	382.69	6.31	-36.24
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020285478	1	48	-1.0	-42.54	382.75	6.33	-36.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020285479	0	50	-1.0	-41.88	377.93	6.56	-35.32
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020285479	1	50	-1.0	-41.88	377.99	6.57	-35.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020285480	0	47	-1.0	-47.70	351.03	5.94	-41.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020285480	1	47	-1.0	-47.72	351.08	5.96	-41.76
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020285481	0	54	-1.0	-43.62	405.44	8.52	-35.10
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020285481	1	54	-1.0	-43.54	405.48	8.51	-35.03
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020285482	0	56	-1.0	-41.52	432.89	8.04	-33.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020285482	1	56	-1.0	-41.51	432.95	8.06	-33.45
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020285483	0	53	-1.0	-48.77	388.48	5.56	-43.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020285483	1	53	-1.0	-48.78	388.54	5.58	-43.20
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020285484	0	55	-1.0	-42.62	423.07	7.60	-35.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020285484	1	55	-1.0	-42.61	423.12	7.61	-35.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020285485	0	52	-1.0	-42.51	400.80	6.82	-35.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020285485	1	52	-1.0	-42.50	400.86	6.84	-35.66
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020285486	0	59	-1.0	-40.91	439.43	8.36	-32.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020285486	1	59	-1.0	-40.91	439.49	8.37	-32.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020285487	0	56	-1.0	-43.44	412.71	7.73	-35.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020285487	1	56	-1.0	-43.49	412.77	7.76	-35.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020285488	0	61	-1.0	-41.70	427.90	10.13	-31.57
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020285488	1	61	-1.0	-41.69	427.96	10.15	-31.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020285489	0	58	-1.0	-42.96	414.18	9.31	-33.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020285489	1	58	-1.0	-42.97	414.23	9.33	-33.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020285490	0	56	-1.0	-41.08	416.69	7.46	-33.62
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020285490	1	56	-1.0	-41.09	416.75	7.48	-33.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020285491	0	53	-1.0	-45.12	390.14	6.83	-38.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020285491	1	53	-1.0	-45.14	390.20	6.84	-38.30
C#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285492	0	47	-1.0	-39.72	376.37	8.24	-31.48
C#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285492	1	47	-1.0	-39.74	376.42	8.25	-31.49
C#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285493	0	44	-1.0	-42.39	356.02	7.55	-34.84
C#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285493	1	44	-1.0	-42.37	355.96	7.52	-34.85
C#CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020285494	0	51	-1.0	-41.84	403.06	10.47	-31.37
C#CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020285494	1	51	-1.0	-41.83	403.10	10.45	-31.38
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285495	0	50	-1.0	-41.84	385.63	9.03	-32.81
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285495	1	50	-1.0	-41.86	385.68	9.04	-32.82
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285496	0	47	-1.0	-46.42	366.42	8.45	-37.97
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CC1=CC=C(CN(CC2CC2)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=N1	REAL300020285498	0	57	-1.0	-42.66	440.15	8.67	-33.99
CC1=CC=C(CN(CC2CC2)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=N1	REAL300020285498	1	57	-1.0	-42.65	440.21	8.69	-33.96
CC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=N1	REAL300020285499	0	54	-1.0	-46.06	418.09	8.19	-37.87
CC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=N1	REAL300020285499	1	54	-1.0	-46.08	418.14	8.21	-37.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020285500	0	52	-1.0	-40.60	401.74	6.97	-33.63
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020285500	1	52	-1.0	-40.62	401.80	6.99	-33.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020285501	0	49	-1.0	-45.04	376.60	6.09	-38.95
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020285501	1	49	-1.0	-45.04	376.66	6.11	-38.93
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020285502	0	56	-1.0	-42.18	425.55	8.82	-33.36
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC(C)C)C1	REAL300020285502	1	56	-1.0	-42.11	425.56	8.81	-33.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020285503	0	52	-1.0	-43.09	414.11	8.12	-34.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020285503	1	52	-1.0	-43.05	414.05	8.11	-34.94
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020285504	0	49	-1.0	-44.77	389.73	7.51	-37.26
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020285504	1	49	-1.0	-44.78	389.68	7.49	-37.29
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020285505	0	50	-1.0	-50.65	399.72	2.55	-48.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCS(=O)(=O)C2)C1	REAL300020285505	1	50	-1.0	-50.64	399.78	2.57	-48.07
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020285506	0	53	-1.0	-43.12	413.53	9.66	-33.46
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020285506	1	53	-1.0	-43.09	413.59	9.67	-33.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020285507	0	50	-1.0	-46.66	389.05	8.33	-38.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020285507	1	50	-1.0	-46.64	389.11	8.34	-38.30
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285508	0	61	0.0	-61.32	438.50	7.84	-53.48
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285508	1	61	0.0	-64.19	436.70	7.37	-56.82
COCCN1[C@H](C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@@H]1C	REAL300020285508	1	60	-1.0	-40.30	447.85	5.83	-34.47
COCCN1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285508	1	60	-1.0	-40.30	447.91	5.84	-34.46
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285509	0	58	0.0	-58.34	429.41	7.08	-51.26
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285509	1	58	0.0	-66.59	411.99	6.87	-59.72
COCCN1[C@H](C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@@H]1C	REAL300020285509	1	57	-1.0	-43.20	426.34	5.05	-38.15
COCCN1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285509	1	57	-1.0	-43.15	426.40	5.08	-38.07
CC(=O)NCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285510	0	48	-1.0	-43.51	384.44	4.01	-39.50
CC(=O)NCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285510	1	48	-1.0	-43.50	384.49	4.03	-39.47
CC(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285511	0	45	-1.0	-45.65	366.89	3.33	-42.32
CC(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285511	1	45	-1.0	-45.67	366.94	3.35	-42.32
CC(=O)NCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285512	0	52	-1.0	-45.72	415.57	6.41	-39.31
CC(=O)NCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285512	1	52	-1.0	-45.70	415.61	6.41	-39.29
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@H]1C	REAL300020285513	0	51	-1.0	-44.18	396.29	7.61	-36.57
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@H]1C	REAL300020285513	1	51	-1.0	-44.22	396.35	7.63	-36.59
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@H]1C	REAL300020285514	0	48	-1.0	-46.12	381.86	6.74	-39.38
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@H]1C	REAL300020285514	1	48	-1.0	-46.14	381.91	6.76	-39.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020285515	0	46	-1.0	-41.22	374.35	8.57	-32.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020285515	1	46	-1.0	-41.26	374.41	8.58	-32.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020285516	0	43	-1.0	-40.02	359.33	7.85	-32.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020285516	1	43	-1.0	-40.04	359.27	7.83	-32.21
COC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020285517	0	50	-1.0	-41.79	397.04	7.82	-33.97
COC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020285517	1	50	-1.0	-41.78	397.09	7.83	-33.95
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020285518	0	47	-1.0	-44.71	369.93	6.79	-37.92
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020285518	1	47	-1.0	-44.73	369.87	6.77	-37.96
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020285519	0	47	-1.0	-42.85	383.37	8.70	-34.15
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020285519	1	47	-1.0	-42.85	383.43	8.71	-34.14
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020285520	0	44	-1.0	-43.97	366.30	8.10	-35.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020285520	1	44	-1.0	-43.91	366.24	8.07	-35.84
CC(=O)NC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020285521	0	53	-1.0	-49.83	408.34	7.77	-42.06
CC(=O)NC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020285521	1	53	-1.0	-49.87	408.39	7.78	-42.09
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285522	0	47	-1.0	-41.92	379.64	8.32	-33.60
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285522	1	47	-1.0	-41.97	379.70	8.33	-33.64
C#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285523	0	44	-1.0	-43.17	357.52	7.46	-35.71
C#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285523	1	44	-1.0	-43.17	357.47	7.44	-35.73
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020285524	0	51	-1.0	-43.72	397.19	10.34	-33.38
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020285524	1	51	-1.0	-43.74	397.25	10.34	-33.40
CC1=CN=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)N=C1	REAL300020285525	0	54	-1.0	-47.05	428.59	5.53	-41.52
CC1=CN=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)N=C1	REAL300020285525	1	54	-1.0	-47.03	428.53	5.52	-41.51
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@H]1C1CC1	REAL300020285526	0	55	-1.0	-42.95	423.21	8.77	-34.18
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@H]1C1CC1	REAL300020285526	1	55	-1.0	-42.98	423.27	8.79	-34.19
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@H]1C1CC1	REAL300020285527	0	52	-1.0	-44.99	404.55	8.17	-36.82
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@H]1C1CC1	REAL300020285527	1	52	-1.0	-44.96	404.61	8.19	-36.77
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285528	0	60	0.0	-63.07	425.29	9.05	-54.02
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285528	1	60	0.0	-63.07	425.24	9.03	-54.04
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285529	0	57	0.0	-60.34	409.49	8.12	-52.22
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285529	1	57	0.0	-60.31	409.53	8.14	-52.17
CC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020285530	0	46	-1.0	-39.20	382.81	4.70	-34.50
CC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020285530	1	46	-1.0	-39.20	382.86	4.72	-34.48
CC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020285531	0	43	-1.0	-40.97	353.07	3.80	-37.17
CC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020285531	1	43	-1.0	-41.01	353.15	3.83	-37.18
CC1=NOC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)=N1	REAL300020285532	0	50	-1.0	-42.01	404.57	6.66	-35.35
CC1=NOC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)=N1	REAL300020285532	1	50	-1.0	-42.00	404.61	6.66	-35.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020285533	0	56	-1.0	-42.54	425.98	8.55	-33.99
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020285533	1	56	-1.0	-42.52	426.04	8.57	-33.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020285534	0	53	-1.0	-44.04	404.50	7.88	-36.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020285534	1	53	-1.0	-44.07	404.56	7.91	-36.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020285535	0	53	-1.0	-46.26	416.59	9.01	-37.25
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020285535	1	53	-1.0	-46.18	416.53	9.00	-37.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020285536	0	50	-1.0	-47.27	400.73	8.06	-39.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020285536	1	50	-1.0	-47.28	400.67	8.03	-39.25
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020285537	0	58	-1.0	-40.36	426.41	9.32	-31.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020285537	1	58	-1.0	-40.38	426.47	9.34	-31.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020285538	0	55	-1.0	-43.89	413.63	9.29	-34.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020285538	1	55	-1.0	-43.90	413.68	9.31	-34.59
COC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285539	0	53	-1.0	-43.93	405.60	3.85	-40.08
COC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285539	1	53	-1.0	-43.93	405.66	3.87	-40.06
COC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285540	0	50	-1.0	-47.21	379.39	3.21	-44.00
COC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285540	1	50	-1.0	-47.24	379.45	3.24	-44.00
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020285541	0	59	-1.0	-40.14	434.01	9.25	-30.89
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020285541	1	59	-1.0	-40.10	434.07	9.26	-30.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020285542	0	56	-1.0	-43.17	413.84	8.59	-34.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCCC2)C1	REAL300020285542	1	56	-1.0	-43.15	413.90	8.61	-34.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020285543	0	57	0.0	-63.71	428.61	9.00	-54.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020285543	1	57	0.0	-63.71	428.56	8.98	-54.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020285544	0	54	0.0	-64.04	393.74	8.51	-55.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020285544	1	54	0.0	-64.04	393.78	8.53	-55.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020285545	0	55	-1.0	-42.53	391.70	8.34	-34.19
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020285545	1	55	-1.0	-42.46	391.75	8.36	-34.10
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020285546	0	52	-1.0	-42.19	397.13	8.92	-33.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020285546	1	52	-1.0	-42.16	397.19	8.95	-33.21
COCCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285547	0	58	-1.0	-46.16	447.69	4.15	-42.01
COCCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285547	1	58	-1.0	-46.18	447.75	4.18	-42.00
COCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285547	1	59	0.0	-65.09	453.53	6.39	-58.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020285548	0	46	-1.0	-41.99	353.80	6.89	-35.10
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020285548	1	46	-1.0	-41.98	353.85	6.91	-35.07
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020285549	0	43	-1.0	-44.67	352.62	7.18	-37.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020285549	1	43	-1.0	-44.70	352.68	7.20	-37.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020285550	0	47	-1.0	-44.11	393.86	8.19	-35.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020285550	1	47	-1.0	-44.15	393.91	8.21	-35.94
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020285551	0	44	-1.0	-47.22	368.24	8.02	-39.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020285551	1	44	-1.0	-47.23	368.18	7.99	-39.24
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020285552	0	57	-1.0	-41.18	438.26	8.46	-32.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020285552	1	58	0.0	-70.39	440.70	10.74	-59.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020285552	1	57	-1.0	-41.14	438.31	8.48	-32.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020285553	0	54	-1.0	-43.82	421.46	7.32	-36.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020285553	1	55	0.0	-67.28	419.18	9.95	-57.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020285553	1	54	-1.0	-43.84	421.52	7.35	-36.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020285554	0	43	-1.0	-42.70	350.35	7.31	-35.39
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020285554	1	43	-1.0	-42.71	350.41	7.32	-35.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020285555	0	40	-1.0	-45.70	323.58	6.63	-39.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020285555	1	40	-1.0	-45.66	323.63	6.65	-39.01
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020285556	0	47	-1.0	-44.65	383.21	9.40	-35.25
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020285556	1	47	-1.0	-44.66	383.23	9.40	-35.26
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020285557	0	45	-1.0	-40.47	360.45	7.35	-33.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020285557	1	45	-1.0	-40.49	360.51	7.37	-33.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020285558	0	42	-1.0	-44.15	329.37	6.83	-37.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020285558	1	42	-1.0	-44.15	329.42	6.85	-37.30
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020285559	0	49	-1.0	-41.13	397.13	9.49	-31.64
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020285559	1	49	-1.0	-41.08	397.18	9.48	-31.60
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020285560	0	49	-1.0	-43.79	384.52	8.67	-35.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020285560	1	49	-1.0	-43.77	384.58	8.69	-35.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020285561	0	46	-1.0	-46.38	365.58	8.18	-38.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020285561	1	46	-1.0	-46.38	365.64	8.20	-38.18
CCN1C=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C(C)C)C=N1	REAL300020285562	0	57	-1.0	-41.08	438.97	7.56	-33.52
CCN1C=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C(C)C)C=N1	REAL300020285562	1	57	-1.0	-41.06	438.91	7.55	-33.51
CCN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C(C)C)C=N1	REAL300020285563	0	54	-1.0	-45.75	412.00	7.65	-38.10
CCN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C(C)C)C=N1	REAL300020285563	1	54	-1.0	-45.72	411.95	7.62	-38.10
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@H](C)O1	REAL300020285564	0	52	-1.0	-43.95	418.06	6.97	-36.98
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@H](C)O1	REAL300020285564	1	52	-1.0	-43.98	418.10	6.99	-36.99
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@H](C)O1	REAL300020285565	0	49	-1.0	-45.06	391.72	6.18	-38.88
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@H](C)O1	REAL300020285565	1	49	-1.0	-45.07	391.77	6.20	-38.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020285566	0	53	-1.0	-40.06	405.55	7.59	-32.47
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020285566	1	53	-1.0	-40.04	405.61	7.61	-32.43
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020285567	0	50	-1.0	-41.82	386.68	6.82	-35.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020285567	1	50	-1.0	-41.79	386.74	6.84	-34.95
CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285568	0	52	-1.0	-39.04	404.80	7.12	-31.92
CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285568	1	52	-1.0	-39.08	404.86	7.14	-31.94
CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285569	0	49	-1.0	-41.66	383.87	6.41	-35.25
CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285569	1	49	-1.0	-41.68	383.93	6.44	-35.24
CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020285570	0	56	-1.0	-41.06	440.85	9.36	-31.70
CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020285570	1	56	-1.0	-41.05	441.03	9.33	-31.72
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)N=C1	REAL300020285571	0	55	-1.0	-46.24	430.81	7.29	-38.95
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)N=C1	REAL300020285571	1	55	-1.0	-46.25	430.86	7.30	-38.95
COC1=CC=C(N(C)CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020285572	0	57	-1.0	-51.26	435.93	8.37	-42.89
COC1=CC=C(N(C)CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020285572	1	57	-1.0	-51.21	435.61	8.40	-42.81
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CCCOC1	REAL300020285573	0	52	-1.0	-43.83	384.96	5.58	-38.25
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CCCOC1	REAL300020285573	1	52	-1.0	-43.80	385.01	5.59	-38.21
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CCCOC1	REAL300020285574	0	49	-1.0	-45.27	370.79	4.81	-40.46
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCCOC1	REAL300020285574	1	49	-1.0	-45.28	370.85	4.83	-40.45
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C)C1CCCOC1	REAL300020285575	0	56	-1.0	-43.97	412.20	8.52	-35.45
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C)C1CCCOC1	REAL300020285575	1	56	-1.0	-43.92	412.19	8.51	-35.41
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)OC2=C(C)C=CC=C12	REAL300020285576	0	54	-1.0	-49.66	416.11	9.89	-39.77
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)OC2=C(C)C=CC=C12	REAL300020285576	1	54	-1.0	-49.65	416.16	9.89	-39.76
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020285577	0	56	-1.0	-39.73	423.14	8.30	-31.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020285577	1	56	-1.0	-39.74	423.20	8.32	-31.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020285578	0	53	-1.0	-46.58	391.43	7.66	-38.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020285578	1	53	-1.0	-46.63	391.45	7.68	-38.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020285579	0	55	-1.0	-42.60	425.96	7.86	-34.74
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020285579	1	55	-1.0	-42.58	426.01	7.88	-34.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020285580	0	52	-1.0	-44.13	398.64	6.88	-37.25
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020285580	1	52	-1.0	-44.16	398.70	6.91	-37.25
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020285581	0	55	-1.0	-40.44	411.74	9.57	-30.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020285581	1	55	-1.0	-40.43	411.80	9.59	-30.84
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020285582	0	52	-1.0	-41.50	388.97	9.74	-31.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020285582	1	52	-1.0	-41.53	388.91	9.72	-31.81
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020285583	0	51	-1.0	-47.04	399.77	4.63	-42.41
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020285583	1	51	-1.0	-47.02	399.82	4.64	-42.38
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020285584	0	48	-1.0	-51.91	353.78	3.18	-48.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020285584	1	48	-1.0	-51.91	353.82	3.20	-48.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020285585	0	55	-1.0	-47.88	424.09	9.31	-38.57
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020285585	1	55	-1.0	-47.91	424.15	9.33	-38.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020285586	0	52	-1.0	-44.06	417.10	9.07	-34.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020285586	1	52	-1.0	-44.07	417.16	9.09	-34.98
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020285587	0	46	-1.0	-45.39	369.00	8.39	-37.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020285587	1	46	-1.0	-45.46	369.03	8.39	-37.07
CCN(CCSC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285588	0	48	-1.0	-42.33	386.61	6.87	-35.46
CCN(CCSC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285588	1	48	-1.0	-42.37	386.66	6.88	-35.49
CCN(CCSC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285589	0	45	-1.0	-45.34	357.05	5.99	-39.35
CCN(CCSC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285589	1	45	-1.0	-45.34	357.11	6.02	-39.32
CCN(CCSC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285590	0	52	-1.0	-44.01	413.27	9.16	-34.85
CCN(CCSC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285590	1	52	-1.0	-43.97	413.31	9.14	-34.83
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020285591	0	54	-1.0	-47.11	409.72	6.49	-40.62
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020285591	1	54	-1.0	-47.17	409.77	6.51	-40.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020285592	0	51	-1.0	-50.97	380.27	5.66	-45.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020285592	1	51	-1.0	-50.97	380.27	5.66	-45.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020285593	0	55	-1.0	-41.99	419.72	10.04	-31.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020285593	1	55	-1.0	-41.95	419.78	10.05	-31.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020285594	0	52	-1.0	-47.91	395.99	9.76	-38.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020285594	1	52	-1.0	-47.84	395.90	9.76	-38.08
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020285595	0	49	-1.0	-41.69	384.53	8.70	-32.99
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020285595	1	49	-1.0	-41.67	384.59	8.72	-32.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020285596	0	46	-1.0	-41.03	376.91	7.82	-33.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020285596	1	46	-1.0	-41.05	376.97	7.84	-33.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020285597	0	46	-1.0	-42.53	369.69	5.11	-37.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020285597	1	46	-1.0	-42.50	369.75	5.12	-37.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020285598	0	43	-1.0	-45.78	333.72	4.64	-41.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020285598	1	43	-1.0	-45.74	333.67	4.63	-41.11
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020285599	0	50	-1.0	-44.36	398.93	7.19	-37.17
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020285599	1	50	-1.0	-44.26	398.98	7.17	-37.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020285600	0	52	-1.0	-43.23	417.19	9.94	-33.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020285600	1	52	-1.0	-43.26	417.23	9.96	-33.30
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020285601	0	61	-1.0	-39.47	448.70	10.84	-28.63
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020285601	1	61	-1.0	-39.45	448.77	10.85	-28.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020285602	0	58	-1.0	-42.53	427.19	10.03	-32.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020285602	1	58	-1.0	-42.49	427.25	10.06	-32.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020285603	0	54	-1.0	-50.76	424.36	10.65	-40.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020285603	1	54	-1.0	-50.67	424.31	10.63	-40.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020285604	0	51	-1.0	-55.36	400.33	10.25	-45.11
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020285604	1	51	-1.0	-55.35	400.28	10.24	-45.11
COCC1=NN=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CCN12	REAL300020285605	0	52	-1.0	-54.73	410.46	5.54	-49.19
COCC1=NN=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CCN12	REAL300020285605	1	52	-1.0	-54.73	410.52	5.55	-49.18
COCC1=NN=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCN12	REAL300020285606	0	49	-1.0	-45.23	397.33	5.87	-39.36
COCC1=NN=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCN12	REAL300020285606	1	49	-1.0	-45.23	397.39	5.89	-39.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020285607	0	53	-1.0	-40.70	426.86	10.47	-30.23
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020285607	1	53	-1.0	-40.69	426.92	10.48	-30.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020285608	0	50	-1.0	-41.53	406.82	9.84	-31.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020285608	1	50	-1.0	-41.58	406.88	9.86	-31.72
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020285609	0	56	-1.0	-41.84	435.10	9.24	-32.60
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020285609	1	56	-1.0	-41.86	435.15	9.25	-32.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020285610	0	53	-1.0	-48.23	400.60	8.73	-39.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020285610	1	53	-1.0	-48.20	400.65	8.74	-39.46
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285611	0	55	-1.0	-43.98	432.50	8.88	-35.10
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285611	1	55	-1.0	-44.03	432.56	8.89	-35.14
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285612	0	52	-1.0	-43.91	416.12	8.11	-35.80
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285612	1	52	-1.0	-43.95	416.17	8.14	-35.81
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020285613	0	51	-1.0	-47.40	399.44	6.19	-41.21
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020285613	1	51	-1.0	-47.44	399.50	6.19	-41.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020285614	0	48	-1.0	-47.83	371.16	5.41	-42.42
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020285614	1	48	-1.0	-47.82	371.21	5.44	-42.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020285615	0	46	-1.0	-41.22	352.30	7.67	-33.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020285615	1	46	-1.0	-41.24	352.36	7.68	-33.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020285616	0	43	-1.0	-42.45	329.59	6.87	-35.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020285616	1	43	-1.0	-42.48	329.54	6.85	-35.63
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020285617	0	50	-1.0	-41.93	380.56	9.76	-32.17
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020285617	1	50	-1.0	-41.93	380.59	9.75	-32.18
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020285618	0	53	-1.0	-40.27	385.89	5.61	-34.66
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020285618	1	53	-1.0	-40.26	385.95	5.63	-34.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020285619	0	50	-1.0	-42.69	381.66	5.57	-37.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020285619	1	50	-1.0	-42.75	381.72	5.60	-37.15
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020285620	0	55	-1.0	-41.14	414.08	4.98	-36.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020285620	1	55	-1.0	-41.14	414.13	5.00	-36.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020285620	1	56	0.0	-69.92	422.52	7.01	-62.91
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020285621	0	52	-1.0	-47.45	387.31	4.36	-43.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020285621	1	52	-1.0	-47.47	387.35	4.37	-43.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020285621	1	53	0.0	-66.03	393.54	6.37	-59.66
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020285622	0	58	-1.0	-40.34	428.15	10.21	-30.13
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020285622	1	58	-1.0	-40.34	428.21	10.22	-30.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020285623	0	55	-1.0	-42.74	407.19	9.49	-33.25
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020285623	1	55	-1.0	-42.75	407.24	9.52	-33.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020285624	0	52	-1.0	-45.35	419.75	3.12	-42.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020285624	1	52	-1.0	-45.31	419.80	3.14	-42.17
CC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020285625	0	52	-1.0	-40.82	404.87	9.99	-30.83
CC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020285625	1	52	-1.0	-40.82	404.92	10.00	-30.82
CC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020285626	0	49	-1.0	-43.62	380.73	9.00	-34.62
CC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020285626	1	49	-1.0	-43.64	380.67	8.98	-34.66
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020285627	0	58	-1.0	-40.49	443.66	11.23	-29.26
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020285627	1	58	-1.0	-40.45	443.72	11.25	-29.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020285628	0	55	-1.0	-45.36	415.37	10.67	-34.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020285628	1	55	-1.0	-45.41	415.43	10.67	-34.74
COCCN(CCF)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285629	0	48	-1.0	-42.47	372.57	4.98	-37.49
COCCN(CCF)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285629	1	48	-1.0	-42.51	372.61	4.99	-37.52
COCCN(CCF)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285630	0	45	-1.0	-42.97	361.12	4.13	-38.84
COCCN(CCF)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285630	1	45	-1.0	-42.97	361.18	4.15	-38.82
COCCN(CCF)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285631	0	52	-1.0	-42.65	408.19	7.16	-35.49
COCCN(CCF)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285631	1	52	-1.0	-42.62	408.22	7.15	-35.47
CC1=CC=C2NC3=C(CN(C4=NN=C(CC5=NN=N[N-]5)N4CC(C)C)CC3)C2=C1	REAL300020285632	0	53	-1.0	-51.87	403.88	8.30	-43.57
CC1=CC=C2NC3=C(CN(C4=NN=C(CC5=N[N-]N=N5)N4CC(C)C)CC3)C2=C1	REAL300020285632	1	53	-1.0	-51.90	403.83	8.29	-43.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020285633	0	53	-1.0	-45.02	399.17	5.67	-39.35
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020285633	1	53	-1.0	-45.03	399.22	5.69	-39.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020285634	0	50	-1.0	-44.62	382.47	4.95	-39.67
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020285634	1	50	-1.0	-44.59	382.53	4.98	-39.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020285635	0	50	-1.0	-42.96	385.86	5.06	-37.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020285635	1	50	-1.0	-42.99	385.91	5.08	-37.91
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020285636	0	47	-1.0	-44.35	371.35	4.07	-40.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020285636	1	47	-1.0	-44.33	371.41	4.10	-40.23
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1COCCO1	REAL300020285637	0	54	-1.0	-44.23	418.08	7.21	-37.02
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1COCCO1	REAL300020285637	1	54	-1.0	-44.20	418.13	7.20	-37.00
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020285638	0	50	-1.0	-40.01	395.58	6.61	-33.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020285638	1	50	-1.0	-40.03	395.64	6.63	-33.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020285639	0	47	-1.0	-41.79	374.25	5.90	-35.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020285639	1	47	-1.0	-41.79	374.18	5.87	-35.92
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CCCOC1	REAL300020285640	0	54	-1.0	-42.61	419.72	8.83	-33.78
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CCCOC1	REAL300020285640	1	54	-1.0	-42.57	419.78	8.83	-33.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020285641	0	58	-1.0	-39.52	414.49	9.28	-30.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020285641	1	58	-1.0	-39.52	414.56	9.29	-30.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020285642	0	55	-1.0	-42.97	398.17	8.85	-34.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020285642	1	55	-1.0	-42.94	398.22	8.87	-34.07
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020285643	0	53	-1.0	-41.77	390.29	6.33	-35.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020285643	1	53	-1.0	-41.81	390.34	6.34	-35.47
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020285644	0	50	-1.0	-42.36	374.44	5.58	-36.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020285644	1	50	-1.0	-42.38	374.50	5.60	-36.78
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020285645	0	50	-1.0	-43.53	387.85	1.88	-41.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020285645	1	50	-1.0	-43.49	387.91	1.90	-41.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020285646	0	47	-1.0	-48.71	360.53	1.39	-47.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020285646	1	47	-1.0	-48.69	360.60	1.39	-47.30
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(O)(CO)CC1	REAL300020285647	0	54	-1.0	-44.86	419.82	3.96	-40.90
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(O)(CO)CC1	REAL300020285647	1	54	-1.0	-44.83	419.81	3.95	-40.88
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020285648	0	55	-1.0	-39.92	412.00	9.91	-30.01
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020285648	1	55	-1.0	-39.90	412.06	9.93	-29.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020285649	0	52	-1.0	-43.04	394.17	9.35	-33.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020285649	1	52	-1.0	-43.09	394.23	9.37	-33.72
C=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285650	0	52	-1.0	-40.57	396.54	8.99	-31.58
C=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285650	1	52	-1.0	-40.60	396.59	9.00	-31.60
C=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285651	0	49	-1.0	-41.78	384.55	8.21	-33.57
C=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285651	1	49	-1.0	-41.76	384.60	8.23	-33.53
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020285652	0	56	-1.0	-41.94	436.63	11.31	-30.63
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020285652	1	56	-1.0	-41.90	436.60	11.29	-30.61
CCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020285653	0	45	-1.0	-43.92	366.84	8.91	-35.01
CCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020285653	1	45	-1.0	-43.96	366.79	8.89	-35.07
CCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020285654	0	42	-1.0	-46.06	345.39	8.15	-37.91
CCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020285654	1	42	-1.0	-46.02	345.33	8.12	-37.90
CCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)=N1	REAL300020285655	0	49	-1.0	-45.79	401.86	10.93	-34.86
CCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)=N1	REAL300020285655	1	49	-1.0	-45.83	401.83	10.94	-34.89
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285656	0	50	-1.0	-41.84	385.63	9.03	-32.81
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285656	1	50	-1.0	-41.86	385.68	9.04	-32.82
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285657	0	47	-1.0	-46.42	366.42	8.45	-37.97
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285657	1	47	-1.0	-46.48	366.49	8.46	-38.02
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020285658	0	54	-1.0	-42.30	430.79	11.30	-31.00
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020285658	1	54	-1.0	-42.28	430.76	11.28	-31.00
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020285659	0	63	-1.0	-39.80	447.56	9.87	-29.93
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020285659	1	63	-1.0	-39.76	447.61	9.88	-29.88
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020285660	0	60	-1.0	-41.82	428.79	9.33	-32.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020285660	1	60	-1.0	-41.83	428.85	9.36	-32.47
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020285661	0	60	-1.0	-42.11	416.89	9.06	-33.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020285661	1	60	-1.0	-42.12	416.94	9.08	-33.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020285662	0	57	-1.0	-41.75	401.86	9.69	-32.06
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020285662	1	57	-1.0	-41.75	401.91	9.71	-32.04
CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285663	0	58	-1.0	-43.27	413.57	9.22	-34.05
CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285663	1	58	-1.0	-43.21	413.63	9.23	-33.98
CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285664	0	55	-1.0	-46.66	384.52	8.92	-37.74
CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285664	1	55	-1.0	-46.64	384.47	8.89	-37.75
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020285665	0	51	-1.0	-50.53	403.58	6.88	-43.65
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020285665	1	51	-1.0	-50.53	403.53	6.87	-43.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020285666	0	48	-1.0	-54.26	377.67	5.99	-48.27
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020285666	1	48	-1.0	-54.25	377.62	5.96	-48.29
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020285667	0	58	-1.0	-41.86	404.48	8.46	-33.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020285667	1	58	-1.0	-41.83	404.54	8.48	-33.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020285668	0	55	-1.0	-45.61	375.50	7.90	-37.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020285668	1	55	-1.0	-45.65	375.56	7.92	-37.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020285669	0	58	-1.0	-42.34	442.15	8.11	-34.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020285669	1	58	-1.0	-42.39	442.21	8.13	-34.26
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020285670	0	56	-1.0	-45.59	426.92	7.19	-38.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020285670	1	56	-1.0	-45.60	427.00	7.22	-38.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020285671	0	49	-1.0	-43.43	384.26	8.16	-35.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020285671	1	49	-1.0	-43.47	384.32	8.17	-35.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020285672	0	46	-1.0	-46.15	356.71	7.22	-38.93
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020285672	1	46	-1.0	-46.17	356.77	7.24	-38.93
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020285673	0	53	-1.0	-44.97	417.40	9.89	-35.08
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020285673	1	53	-1.0	-44.95	417.41	9.89	-35.06
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020285674	0	58	-1.0	-40.21	408.86	9.42	-30.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020285674	1	58	-1.0	-40.21	408.92	9.44	-30.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020285675	0	55	-1.0	-41.59	403.14	9.24	-32.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020285675	1	55	-1.0	-41.59	403.19	9.26	-32.33
CCC(C)N(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285676	0	50	-1.0	-39.58	371.24	8.11	-31.47
CCC(C)N(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285676	1	50	-1.0	-39.57	371.30	8.12	-31.45
CCC(C)N(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285677	0	47	-1.0	-42.66	355.14	5.95	-36.71
CCC(C)N(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285677	1	47	-1.0	-42.68	355.09	5.92	-36.76
CCC(C)N(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285678	0	54	-1.0	-42.17	413.13	9.33	-32.84
CCC(C)N(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285678	1	54	-1.0	-42.17	413.17	9.32	-32.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020285679	0	56	-1.0	-40.02	403.14	9.11	-30.91
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020285679	1	56	-1.0	-40.01	403.20	9.12	-30.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020285680	0	53	-1.0	-43.51	376.03	8.39	-35.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020285680	1	53	-1.0	-43.48	376.09	8.41	-35.07
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020285681	0	51	-1.0	-45.82	393.39	5.42	-40.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020285681	1	51	-1.0	-45.79	393.45	5.44	-40.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020285682	0	48	-1.0	-45.65	363.95	4.77	-40.88
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020285682	1	48	-1.0	-45.60	364.00	4.80	-40.80
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020285683	0	52	-1.0	-41.45	405.50	8.91	-32.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020285683	1	52	-1.0	-41.45	405.55	8.92	-32.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020285684	0	49	-1.0	-44.21	387.72	8.48	-35.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020285684	1	49	-1.0	-44.18	387.78	8.49	-35.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020285685	0	53	-1.0	-42.01	393.32	7.73	-34.28
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020285685	1	53	-1.0	-41.98	393.37	7.75	-34.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020285686	0	50	-1.0	-42.20	380.61	6.93	-35.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020285686	1	50	-1.0	-42.21	380.67	6.94	-35.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020285687	0	56	-1.0	-43.34	435.29	9.98	-33.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020285687	1	56	-1.0	-43.38	435.35	9.99	-33.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020285688	0	53	-1.0	-44.53	408.93	8.91	-35.62
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020285688	1	53	-1.0	-44.48	409.00	8.93	-35.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020285689	0	57	-1.0	-40.07	429.16	9.44	-30.63
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020285689	1	57	-1.0	-40.08	429.22	9.45	-30.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020285690	0	54	-1.0	-46.63	388.48	8.62	-38.01
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020285690	1	54	-1.0	-46.61	388.54	8.63	-37.98
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020285691	0	49	-1.0	-52.35	402.56	7.35	-45.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(C#N)SC=C2)CC1	REAL300020285691	1	49	-1.0	-52.32	402.58	7.37	-44.95
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@@H](C)O1	REAL300020285692	0	52	-1.0	-44.54	408.11	7.98	-36.56
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@@H](C)O1	REAL300020285692	1	52	-1.0	-44.51	408.17	8.00	-36.51
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@@H](C)O1	REAL300020285693	0	49	-1.0	-45.17	392.13	6.34	-38.83
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@@H](C)O1	REAL300020285693	1	49	-1.0	-45.19	392.19	6.37	-38.82
CCC1(CC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285694	0	57	-1.0	-39.61	415.36	9.56	-30.05
CCC1(CC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285694	1	57	-1.0	-39.63	415.42	9.58	-30.05
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285695	0	54	-1.0	-41.84	394.09	8.80	-33.04
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285695	1	54	-1.0	-41.89	394.15	8.82	-33.07
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020285696	0	53	-1.0	-46.20	403.05	4.27	-41.93
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020285696	1	53	-1.0	-46.20	403.10	4.28	-41.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020285697	0	50	-1.0	-48.83	377.32	2.83	-46.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020285697	1	50	-1.0	-48.84	377.38	2.86	-45.98
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020285698	0	52	-1.0	-45.96	403.55	7.85	-38.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020285698	1	52	-1.0	-45.98	403.50	7.83	-38.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020285699	0	49	-1.0	-44.94	392.57	7.04	-37.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020285699	1	49	-1.0	-44.94	392.51	7.01	-37.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020285700	0	51	-1.0	-42.61	396.96	8.50	-34.11
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020285700	1	51	-1.0	-42.57	397.01	8.51	-34.06
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020285701	0	48	-1.0	-44.06	374.69	7.73	-36.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020285701	1	48	-1.0	-44.04	374.75	7.75	-36.29
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CCF)C1	REAL300020285702	0	55	-1.0	-43.88	428.37	10.55	-33.33
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CCF)C1	REAL300020285702	1	55	-1.0	-43.80	428.41	10.54	-33.26
COCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285703	0	58	-1.0	-41.14	444.17	8.24	-32.90
COCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285703	1	58	-1.0	-41.18	444.23	8.26	-32.92
COCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285704	0	55	-1.0	-44.61	423.77	7.53	-37.08
COCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285704	1	55	-1.0	-44.62	423.83	7.55	-37.07
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020285705	0	50	-1.0	-40.95	360.09	5.03	-35.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020285705	1	50	-1.0	-40.93	360.14	5.04	-35.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020285706	0	47	-1.0	-45.82	359.37	5.26	-40.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020285706	1	47	-1.0	-45.81	359.42	5.29	-40.52
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020285707	0	54	-1.0	-42.63	398.13	7.10	-35.53
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020285707	1	54	-1.0	-42.54	398.16	7.09	-35.45
COC1=CC=CC(C2(C)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)=C1	REAL300020285708	0	56	-1.0	-49.92	419.11	8.99	-40.93
COC1=CC=CC(C2(C)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)=C1	REAL300020285708	1	56	-1.0	-49.95	419.01	8.99	-40.96
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020285709	0	52	-1.0	-39.25	402.60	6.85	-32.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020285709	1	52	-1.0	-39.23	402.66	6.86	-32.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020285710	0	49	-1.0	-41.35	373.43	6.13	-35.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020285710	1	49	-1.0	-41.41	373.49	6.15	-35.26
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020285711	0	56	-1.0	-40.97	428.89	9.05	-31.92
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020285711	1	56	-1.0	-40.94	428.94	9.05	-31.89
CCCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285712	0	54	-1.0	-46.26	426.31	8.74	-37.52
CCCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285712	1	54	-1.0	-46.25	426.37	8.76	-37.49
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285713	0	51	-1.0	-51.47	393.27	8.20	-43.27
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285713	1	51	-1.0	-51.40	393.10	8.19	-43.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020285714	0	48	-1.0	-42.09	371.92	7.85	-34.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020285714	1	48	-1.0	-42.08	371.98	7.87	-34.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020285715	0	45	-1.0	-43.70	350.11	7.07	-36.63
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020285715	1	45	-1.0	-43.68	350.17	7.10	-36.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020285716	0	53	-1.0	-41.58	435.37	7.89	-33.69
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020285716	1	53	-1.0	-41.58	435.43	7.91	-33.67
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020285717	0	50	-1.0	-49.55	400.88	7.36	-42.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020285717	1	50	-1.0	-49.64	400.93	7.35	-42.29
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020285718	0	47	-1.0	-46.65	384.17	5.30	-41.35
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020285718	1	47	-1.0	-46.66	384.21	5.32	-41.34
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020285719	0	44	-1.0	-50.82	357.75	4.43	-46.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020285719	1	44	-1.0	-50.83	357.70	4.41	-46.42
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020285720	0	51	-1.0	-49.30	409.39	7.24	-42.06
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020285720	1	51	-1.0	-49.25	409.44	7.23	-42.02
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285721	0	54	-1.0	-41.15	382.93	7.18	-33.97
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285721	1	54	-1.0	-41.16	382.99	7.20	-33.96
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285722	0	51	-1.0	-44.31	369.74	6.68	-37.63
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285722	1	51	-1.0	-44.31	369.79	6.71	-37.60
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020285723	0	58	-1.0	-43.30	417.00	9.46	-33.84
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020285723	1	58	-1.0	-43.29	417.02	9.46	-33.83
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020285724	0	59	-1.0	-41.25	430.53	8.95	-32.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020285724	1	59	-1.0	-41.28	430.59	8.96	-32.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020285725	0	56	-1.0	-42.54	419.80	8.12	-34.42
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020285725	1	56	-1.0	-42.58	419.86	8.15	-34.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020285726	0	59	-1.0	-42.67	440.21	8.76	-33.91
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020285726	1	59	-1.0	-42.63	440.27	8.77	-33.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020285727	0	56	-1.0	-45.70	420.73	7.95	-37.75
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020285727	1	56	-1.0	-45.71	420.78	7.97	-37.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020285728	0	47	-1.0	-42.32	366.71	5.22	-37.10
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020285728	1	47	-1.0	-42.32	366.77	5.23	-37.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020285729	0	44	-1.0	-44.76	343.07	4.25	-40.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020285729	1	44	-1.0	-44.79	343.13	4.27	-40.52
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020285730	0	51	-1.0	-43.65	404.25	7.40	-36.25
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020285730	1	51	-1.0	-43.61	404.30	7.40	-36.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020285731	0	52	-1.0	-49.90	402.91	6.18	-43.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020285731	1	52	-1.0	-49.86	402.97	6.20	-43.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020285732	0	49	-1.0	-51.53	375.23	5.45	-46.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020285732	1	49	-1.0	-51.52	375.29	5.48	-46.04
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020285733	0	47	-1.0	-39.15	373.57	8.21	-30.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020285733	1	47	-1.0	-39.10	373.62	8.23	-30.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020285734	0	44	-1.0	-45.07	333.00	6.90	-38.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020285734	1	44	-1.0	-45.04	333.04	6.90	-38.14
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020285735	0	51	-1.0	-43.51	384.72	10.39	-33.12
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020285735	1	51	-1.0	-43.56	384.75	10.38	-33.18
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C[C@H]21	REAL300020285736	0	50	-1.0	-52.47	402.31	2.25	-50.22
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C[C@H]21	REAL300020285736	1	50	-1.0	-52.52	402.36	2.28	-50.24
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C[C@H]12	REAL300020285737	0	50	-1.0	-54.25	388.92	2.76	-51.49
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C[C@H]12	REAL300020285737	1	50	-1.0	-54.22	388.96	2.77	-51.45
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020285738	0	51	-1.0	-45.25	414.91	4.55	-40.70
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020285738	1	51	-1.0	-45.23	414.97	4.58	-40.65
CNC(=O)NCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020285739	0	55	-1.0	-46.94	415.58	1.64	-45.30
CNC(=O)NCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020285739	1	55	-1.0	-46.97	415.64	1.66	-45.31
CNC(=O)NCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020285740	0	52	-1.0	-54.99	406.51	2.07	-52.92
CNC(=O)NCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020285740	1	52	-1.0	-54.99	406.57	2.06	-52.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020285741	0	53	-1.0	-40.38	414.77	8.12	-32.26
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020285741	1	53	-1.0	-40.33	414.83	8.13	-32.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020285742	0	50	-1.0	-41.28	388.87	7.55	-33.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020285742	1	50	-1.0	-41.26	388.82	7.53	-33.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020285743	0	50	-1.0	-47.19	399.05	3.36	-43.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020285743	1	50	-1.0	-47.18	399.10	3.37	-43.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020285744	0	47	-1.0	-45.49	372.85	2.63	-42.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020285744	1	47	-1.0	-45.47	372.94	2.66	-42.81
CC1=NOC(C23CC(C2)CN3C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020285745	0	51	-1.0	-47.08	406.57	6.42	-40.66
CC1=NOC(C23CC(C2)CN3C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020285745	1	51	-1.0	-47.05	406.63	6.43	-40.62
CC1=NOC(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020285746	0	48	-1.0	-48.04	388.25	5.41	-42.63
CC1=NOC(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020285746	1	48	-1.0	-48.07	388.31	5.44	-42.63
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020285747	0	49	-1.0	-40.42	389.08	6.47	-33.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020285747	1	49	-1.0	-40.43	389.14	6.49	-33.94
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020285748	0	46	-1.0	-42.45	371.18	5.04	-37.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020285748	1	46	-1.0	-42.43	371.24	5.06	-37.37
COC(=O)C1(OC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285749	0	52	-1.0	-44.03	400.26	5.98	-38.05
COC(=O)C1(OC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285749	1	52	-1.0	-43.99	400.32	5.99	-38.00
COC(=O)C1(OC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285750	0	49	-1.0	-50.61	376.87	5.70	-44.91
COC(=O)C1(OC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285750	1	49	-1.0	-50.61	376.79	5.73	-44.88
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020285751	0	55	-1.0	-46.43	429.06	9.33	-37.10
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020285751	1	55	-1.0	-46.40	429.12	9.35	-37.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020285752	0	52	-1.0	-51.53	405.23	8.99	-42.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020285752	1	52	-1.0	-51.57	405.28	8.99	-42.58
COC(=O)N(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285753	0	52	-1.0	-45.99	415.47	6.01	-39.98
COC(=O)N(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285753	1	52	-1.0	-46.00	415.53	6.02	-39.98
COC(=O)N(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285754	0	49	-1.0	-48.22	391.89	5.58	-42.64
COC(=O)N(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285754	1	49	-1.0	-48.24	391.95	5.61	-42.63
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020285755	0	55	-1.0	-44.07	416.63	2.73	-41.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020285755	1	55	-1.0	-44.07	416.68	2.74	-41.33
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020285756	0	52	-1.0	-45.77	403.47	1.91	-43.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020285756	1	52	-1.0	-45.76	403.53	1.94	-43.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020285757	0	49	-1.0	-43.93	371.01	6.46	-37.47
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020285757	1	49	-1.0	-43.92	371.06	6.47	-37.45
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020285758	0	46	-1.0	-43.24	352.92	5.05	-38.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020285758	1	46	-1.0	-43.23	352.97	5.08	-38.15
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1(C)COC1	REAL300020285759	0	53	-1.0	-42.70	407.28	8.31	-34.39
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1(C)COC1	REAL300020285759	1	53	-1.0	-42.69	407.31	8.30	-34.39
CCC(CC)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285760	0	59	-1.0	-39.13	441.16	9.85	-29.28
CCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285760	1	59	-1.0	-39.13	441.22	9.87	-29.26
CCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285761	0	56	-1.0	-42.21	418.14	9.30	-32.91
CCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285761	1	56	-1.0	-42.21	418.19	9.32	-32.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020285762	0	55	-1.0	-40.84	417.77	9.97	-30.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020285762	1	55	-1.0	-40.81	417.83	9.98	-30.83
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020285763	0	52	-1.0	-41.96	400.74	8.93	-33.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020285763	1	52	-1.0	-42.01	400.80	8.96	-33.05
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020285764	0	51	-1.0	-44.37	407.28	8.00	-36.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020285764	1	51	-1.0	-44.35	407.34	8.02	-36.33
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020285765	0	48	-1.0	-46.04	377.39	7.31	-38.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020285765	1	48	-1.0	-46.03	377.45	7.33	-38.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020285766	0	47	-1.0	-42.12	378.56	5.67	-36.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020285766	1	47	-1.0	-42.13	378.62	5.68	-36.45
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020285767	0	44	-1.0	-43.55	351.45	4.64	-38.91
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020285767	1	44	-1.0	-43.55	351.39	4.62	-38.93
CCCCC(CC)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285768	0	65	-1.0	-39.54	492.08	11.46	-28.08
CCCCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285768	1	65	-1.0	-39.54	492.14	11.48	-28.06
CCCCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285769	0	62	-1.0	-42.16	464.55	10.89	-31.27
CCCCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285769	1	62	-1.0	-42.11	464.61	10.92	-31.19
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020285770	0	52	-1.0	-43.32	410.95	7.31	-36.01
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020285770	1	52	-1.0	-43.34	411.00	7.32	-36.02
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020285771	0	49	-1.0	-42.84	371.68	5.78	-37.06
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020285771	1	49	-1.0	-42.82	371.74	5.80	-37.02
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020285772	0	56	-1.0	-45.15	410.23	6.99	-38.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020285772	1	56	-1.0	-45.18	410.29	7.01	-38.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020285773	0	53	-1.0	-51.10	408.16	7.21	-43.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020285773	1	53	-1.0	-51.14	408.21	7.24	-43.90
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020285774	0	56	-1.0	-45.15	410.23	6.99	-38.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020285774	1	56	-1.0	-45.18	410.29	7.01	-38.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020285775	0	53	-1.0	-51.10	408.16	7.21	-43.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020285775	1	53	-1.0	-51.14	408.21	7.24	-43.90
C=C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285776	0	45	-1.0	-41.18	348.70	7.03	-34.15
C=C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285776	1	45	-1.0	-41.15	348.75	7.04	-34.11
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285777	0	49	-1.0	-41.86	380.76	9.07	-32.79
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285777	1	49	-1.0	-41.83	380.79	9.06	-32.77
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020285778	0	53	-1.0	-41.18	398.60	7.86	-33.32
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020285778	1	53	-1.0	-41.18	398.66	7.88	-33.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020285779	0	50	-1.0	-47.25	373.97	7.31	-39.94
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020285779	1	50	-1.0	-47.30	374.01	7.31	-39.99
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020285780	0	49	-1.0	-43.09	381.35	6.65	-36.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020285780	1	49	-1.0	-43.07	381.41	6.66	-36.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020285781	0	46	-1.0	-44.39	367.77	5.72	-38.67
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020285781	1	46	-1.0	-44.39	367.83	5.75	-38.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020285782	0	49	-1.0	-42.16	392.03	6.91	-35.25
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020285782	1	49	-1.0	-42.16	392.09	6.92	-35.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020285783	0	46	-1.0	-42.26	381.50	6.04	-36.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020285783	1	46	-1.0	-42.33	381.56	6.07	-36.26
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020285784	0	49	-1.0	-41.20	394.63	7.17	-34.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020285784	1	49	-1.0	-41.24	394.68	7.20	-34.04
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020285785	0	57	-1.0	-47.82	419.92	8.53	-39.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020285785	1	57	-1.0	-47.86	419.98	8.54	-39.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020285786	0	54	-1.0	-43.90	416.61	8.15	-35.75
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020285786	1	54	-1.0	-43.90	416.66	8.17	-35.73
CCC(CC)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285787	0	58	-1.0	-52.02	428.20	8.16	-43.86
CCC(CC)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285787	1	58	-1.0	-52.00	428.26	8.18	-43.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020285788	0	47	-1.0	-41.60	365.94	5.59	-36.01
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020285788	1	47	-1.0	-41.64	366.00	5.60	-36.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020285789	0	44	-1.0	-47.30	334.18	4.86	-42.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020285789	1	44	-1.0	-47.31	334.22	4.87	-42.44
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020285790	0	51	-1.0	-43.36	390.86	7.20	-36.16
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020285790	1	51	-1.0	-43.38	390.92	7.20	-36.18
CCCCCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285791	0	60	-1.0	-40.71	449.01	9.73	-30.98
CCCCCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285791	1	60	-1.0	-40.74	449.07	9.75	-30.99
CCCCCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285792	0	57	-1.0	-43.21	425.70	8.82	-34.39
CCCCCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285792	1	57	-1.0	-43.18	425.76	8.84	-34.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020285793	0	58	-1.0	-40.28	431.11	9.78	-30.50
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020285793	1	58	-1.0	-40.30	431.17	9.80	-30.50
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020285794	0	55	-1.0	-45.57	404.11	9.45	-36.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020285794	1	55	-1.0	-45.57	404.16	9.46	-36.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020285795	0	56	-1.0	-40.43	441.16	8.54	-31.89
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020285795	1	56	-1.0	-40.44	441.21	8.55	-31.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020285796	0	53	-1.0	-41.77	420.25	7.65	-34.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020285796	1	53	-1.0	-41.78	420.31	7.67	-34.11
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)C(C)=C1	REAL300020285797	0	57	-1.0	-46.24	431.98	9.63	-36.61
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C(C)=C1	REAL300020285797	1	57	-1.0	-46.27	432.03	9.65	-36.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020285798	0	54	-1.0	-48.59	420.87	7.33	-41.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020285798	1	54	-1.0	-48.64	420.93	7.36	-41.28
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020285799	0	46	-1.0	-42.10	337.42	7.10	-35.00
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020285799	1	46	-1.0	-42.07	337.48	7.12	-34.95
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020285800	0	43	-1.0	-44.01	331.30	7.54	-36.47
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020285800	1	43	-1.0	-44.01	331.25	7.52	-36.49
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020285801	0	50	-1.0	-41.60	385.28	9.91	-31.69
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020285801	1	50	-1.0	-41.53	385.28	9.91	-31.62
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020285802	0	58	-1.0	-45.92	443.15	9.07	-36.85
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020285802	1	58	-1.0	-45.90	443.21	9.08	-36.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020285803	0	55	-1.0	-48.79	428.04	8.17	-40.62
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020285803	1	55	-1.0	-48.79	428.09	8.19	-40.60
CCN(CC1=CN(CC)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285804	0	54	-1.0	-42.25	422.53	7.38	-34.87
CCN(CC1=CN(CC)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285804	1	54	-1.0	-42.23	422.47	7.37	-34.86
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285805	0	51	-1.0	-46.28	392.90	6.99	-39.29
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285805	1	51	-1.0	-46.29	392.85	6.98	-39.31
CC1=NN=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)S1	REAL300020285806	0	46	-1.0	-45.04	379.34	5.71	-39.33
CC1=NN=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)S1	REAL300020285806	1	46	-1.0	-45.05	379.39	5.73	-39.32
CC1=NN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)S1	REAL300020285807	0	43	-1.0	-42.62	362.63	4.87	-37.75
CC1=NN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)S1	REAL300020285807	1	43	-1.0	-42.62	362.70	4.90	-37.72
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C)C2	REAL300020285808	0	46	-1.0	-41.54	352.29	7.17	-34.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C)C2	REAL300020285808	1	46	-1.0	-41.56	352.35	7.18	-34.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C)C2	REAL300020285809	0	43	-1.0	-44.71	336.10	6.27	-38.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C)C2	REAL300020285809	1	43	-1.0	-44.74	336.04	6.24	-38.50
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020285810	0	50	-1.0	-42.06	387.29	9.09	-32.97
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020285810	1	50	-1.0	-42.01	387.32	9.08	-32.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020285811	0	51	-1.0	-40.27	397.32	5.05	-35.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020285811	1	51	-1.0	-40.35	397.38	5.07	-35.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020285812	0	48	-1.0	-46.24	364.09	3.91	-42.33
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020285812	1	48	-1.0	-46.24	364.03	3.91	-42.33
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020285813	0	47	-1.0	-40.74	372.70	8.20	-32.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020285813	1	47	-1.0	-40.75	372.76	8.21	-32.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020285814	0	44	-1.0	-41.38	366.61	7.38	-34.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020285814	1	44	-1.0	-41.35	366.54	7.37	-33.98
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CCSC1	REAL300020285815	0	51	-1.0	-42.82	408.14	10.25	-32.57
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CCSC1	REAL300020285815	1	51	-1.0	-42.79	408.13	10.24	-32.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020285816	0	50	-1.0	-41.87	363.91	5.63	-36.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020285816	1	50	-1.0	-41.90	363.96	5.65	-36.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020285817	0	47	-1.0	-47.03	339.31	5.06	-41.97
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020285817	1	47	-1.0	-47.00	339.36	5.07	-41.93
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020285818	0	54	-1.0	-44.07	394.78	7.72	-36.35
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020285818	1	54	-1.0	-44.02	394.81	7.71	-36.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020285819	0	55	-1.0	-41.18	419.07	9.70	-31.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020285819	1	55	-1.0	-41.16	419.12	9.70	-31.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020285820	0	52	-1.0	-46.59	395.10	9.18	-37.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020285820	1	52	-1.0	-46.64	395.16	9.19	-37.45
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285821	0	55	-1.0	-40.43	423.20	7.46	-32.97
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285821	1	55	-1.0	-40.43	423.26	7.48	-32.95
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285822	0	52	-1.0	-46.36	394.85	7.06	-39.30
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285822	1	52	-1.0	-46.41	394.90	7.07	-39.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020285823	0	51	-1.0	-44.98	407.98	6.43	-38.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020285823	1	51	-1.0	-44.99	407.93	6.42	-38.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020285824	0	48	-1.0	-47.56	386.45	5.66	-41.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020285824	1	48	-1.0	-47.55	386.39	5.63	-41.92
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020285825	0	54	-1.0	-48.19	416.01	7.16	-41.03
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020285825	1	54	-1.0	-48.19	416.07	7.17	-41.02
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020285826	0	51	-1.0	-48.66	393.81	6.33	-42.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020285826	1	51	-1.0	-48.68	393.86	6.35	-42.33
CCCCCCC(CC)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285827	0	65	-1.0	-41.33	479.65	12.09	-29.24
CCCCCCC(CC)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285827	1	65	-1.0	-41.32	479.71	12.10	-29.22
CCCCCCC(CC)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285828	0	62	-1.0	-41.36	463.75	11.42	-29.94
CCCCCCC(CC)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285828	1	62	-1.0	-41.40	463.80	11.45	-29.95
C#CCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285829	0	50	-1.0	-42.91	394.59	6.19	-36.72
C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285829	1	50	-1.0	-42.89	394.66	6.21	-36.68
C#CCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285830	0	47	-1.0	-43.30	378.92	6.03	-37.27
C#CCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285830	1	47	-1.0	-43.31	378.99	6.05	-37.26
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020285831	0	54	-1.0	-43.77	424.45	8.08	-35.69
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020285831	1	54	-1.0	-43.75	424.49	8.06	-35.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020285832	0	49	-1.0	-40.68	389.52	9.04	-31.64
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020285832	1	49	-1.0	-40.69	389.58	9.06	-31.63
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020285833	0	46	-1.0	-43.16	367.85	7.11	-36.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020285833	1	46	-1.0	-43.19	367.80	7.10	-36.09
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020285834	0	56	-1.0	-40.70	411.07	6.58	-34.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020285834	1	56	-1.0	-40.72	411.13	6.59	-34.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020285835	0	53	-1.0	-42.92	400.07	6.47	-36.45
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020285835	1	53	-1.0	-42.93	400.13	6.50	-36.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020285836	0	61	-1.0	-39.85	447.72	10.93	-28.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020285836	1	61	-1.0	-39.85	447.77	10.95	-28.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020285837	0	58	-1.0	-42.98	426.36	10.20	-32.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020285837	1	58	-1.0	-43.00	426.39	10.23	-32.77
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020285838	0	55	-1.0	-42.84	420.25	10.70	-32.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020285838	1	55	-1.0	-42.86	420.30	10.71	-32.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020285839	0	52	-1.0	-46.78	385.56	9.48	-37.30
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020285839	1	52	-1.0	-46.80	385.61	9.49	-37.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020285840	0	53	-1.0	-42.25	410.02	9.95	-32.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020285840	1	53	-1.0	-42.27	410.08	9.96	-32.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020285841	0	50	-1.0	-46.24	388.22	9.16	-37.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020285841	1	50	-1.0	-46.24	388.17	9.13	-37.11
COC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285842	0	53	-1.0	-44.30	420.55	4.93	-39.37
COC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285842	1	53	-1.0	-44.31	420.61	4.94	-39.37
COC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285843	0	50	-1.0	-46.92	397.05	4.53	-42.39
COC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285843	1	50	-1.0	-46.95	397.10	4.55	-42.40
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020285844	0	57	-1.0	-41.13	423.90	8.97	-32.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020285844	1	57	-1.0	-41.12	423.95	8.99	-32.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020285845	0	54	-1.0	-42.05	408.15	7.75	-34.30
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020285845	1	54	-1.0	-42.03	408.23	7.78	-34.25
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285846	0	57	-1.0	-41.87	438.43	6.78	-35.09
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285846	1	57	-1.0	-41.92	438.49	6.79	-35.13
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285847	0	54	-1.0	-43.92	419.95	5.92	-38.00
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285847	1	54	-1.0	-43.87	420.01	5.94	-37.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020285848	0	51	-1.0	-41.16	382.17	6.70	-34.46
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020285848	1	51	-1.0	-41.18	382.23	6.72	-34.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020285849	0	48	-1.0	-45.43	360.05	5.87	-39.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020285849	1	48	-1.0	-45.37	360.11	5.90	-39.47
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020285850	0	53	-1.0	-48.03	410.89	5.79	-42.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020285850	1	53	-1.0	-48.02	410.96	5.81	-42.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020285851	0	50	-1.0	-54.54	384.00	5.52	-49.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(N)=O)C1	REAL300020285851	1	50	-1.0	-54.52	384.06	5.53	-48.99
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020285852	0	57	-1.0	-41.37	410.86	7.35	-34.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020285852	1	57	-1.0	-41.37	410.92	7.36	-34.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020285853	0	54	-1.0	-42.02	391.75	6.51	-35.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020285853	1	54	-1.0	-42.04	391.81	6.53	-35.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020285854	0	51	-1.0	-40.81	392.09	8.65	-32.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020285854	1	51	-1.0	-40.83	392.13	8.66	-32.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020285855	0	48	-1.0	-41.34	380.20	7.75	-33.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020285855	1	48	-1.0	-41.35	380.26	7.77	-33.58
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1(C)C	REAL300020285856	0	55	-1.0	-41.74	423.91	10.49	-31.25
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1(C)C	REAL300020285856	1	55	-1.0	-41.75	423.94	10.48	-31.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020285857	0	53	-1.0	-41.36	388.99	5.50	-35.86
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020285857	1	53	-1.0	-41.38	389.05	5.51	-35.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020285858	0	50	-1.0	-43.37	376.02	4.76	-38.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020285858	1	50	-1.0	-43.34	376.07	4.78	-38.56
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)O1	REAL300020285859	0	51	-1.0	-45.36	405.69	2.82	-42.54
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)O1	REAL300020285859	1	51	-1.0	-45.36	405.74	2.83	-42.53
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)O1	REAL300020285860	0	48	-1.0	-50.74	389.38	2.02	-48.72
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)O1	REAL300020285860	1	48	-1.0	-50.74	389.44	2.03	-48.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020285861	0	61	0.0	-66.33	445.41	7.72	-58.61
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020285861	1	61	0.0	-66.35	445.47	7.73	-58.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020285862	0	58	0.0	-64.65	441.25	7.60	-57.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC[NH+](C)C)C1	REAL300020285862	1	58	0.0	-64.67	441.31	7.63	-57.04
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020285863	0	49	-1.0	-39.83	366.52	8.91	-30.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020285863	1	49	-1.0	-39.87	366.58	8.93	-30.94
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020285864	0	46	-1.0	-44.60	337.61	7.87	-36.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020285864	1	46	-1.0	-44.62	337.67	7.89	-36.73
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020285865	0	53	-1.0	-41.74	401.04	10.91	-30.83
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020285865	1	53	-1.0	-41.68	401.07	10.88	-30.80
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020285866	0	58	-1.0	-51.29	450.93	6.99	-44.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020285866	1	58	-1.0	-51.24	450.99	7.00	-44.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020285867	0	55	-1.0	-50.42	428.84	6.14	-44.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)NC(C)C)C1	REAL300020285867	1	55	-1.0	-50.39	428.90	6.16	-44.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020285868	0	58	-1.0	-49.33	450.31	6.91	-42.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020285868	1	58	-1.0	-49.30	450.37	6.93	-42.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020285869	0	55	-1.0	-52.47	423.48	6.30	-46.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)NC(C)C)C1	REAL300020285869	1	55	-1.0	-52.48	423.53	6.33	-46.15
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020285870	0	47	-1.0	-44.25	371.60	5.25	-39.00
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020285870	1	47	-1.0	-44.25	371.66	5.26	-38.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020285871	0	44	-1.0	-47.60	350.13	4.47	-43.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020285871	1	44	-1.0	-47.63	350.07	4.45	-43.18
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020285872	0	49	-1.0	-41.67	382.81	8.99	-32.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020285872	1	49	-1.0	-41.63	382.87	9.01	-32.62
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020285873	0	46	-1.0	-42.06	362.20	7.73	-34.33
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020285873	1	46	-1.0	-42.11	362.15	7.71	-34.40
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@@H]1C	REAL300020285874	0	54	-1.0	-41.88	411.40	8.66	-33.22
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285874	1	54	-1.0	-41.87	411.46	8.67	-33.20
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@@H]1C	REAL300020285875	0	51	-1.0	-42.32	389.91	7.86	-34.46
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285875	1	51	-1.0	-42.31	389.97	7.89	-34.42
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020285876	0	57	-1.0	-44.29	422.66	6.91	-37.38
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020285876	1	57	-1.0	-44.26	422.72	6.92	-37.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020285877	0	54	-1.0	-46.00	405.86	6.29	-39.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)N(C)C)C1	REAL300020285877	1	54	-1.0	-45.99	405.92	6.31	-39.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020285878	0	57	-1.0	-42.09	435.20	9.65	-32.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020285878	1	57	-1.0	-42.07	435.25	9.67	-32.40
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020285879	0	54	-1.0	-44.15	406.62	8.88	-35.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)C1	REAL300020285879	1	54	-1.0	-44.12	406.67	8.91	-35.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020285880	0	52	-1.0	-42.15	402.02	6.92	-35.23
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020285880	1	52	-1.0	-42.08	402.07	6.93	-35.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020285881	0	49	-1.0	-44.03	388.29	6.06	-37.97
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020285881	1	49	-1.0	-44.03	388.34	6.09	-37.94
CC(C)CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285882	0	58	-1.0	-40.39	443.34	8.65	-31.74
CC(C)CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285882	1	58	-1.0	-40.42	443.40	8.67	-31.75
CC(C)CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285883	0	55	-1.0	-44.02	413.27	7.45	-36.57
CC(C)CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285883	1	55	-1.0	-44.02	413.33	7.48	-36.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020285884	0	55	-1.0	-52.13	418.04	5.65	-46.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020285884	1	55	-1.0	-52.17	418.10	5.67	-46.50
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020285885	0	52	-1.0	-55.39	405.99	4.73	-50.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCNC2=O)C1	REAL300020285885	1	52	-1.0	-55.42	406.04	4.75	-50.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020285886	0	53	-1.0	-51.50	417.68	3.23	-48.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020285886	1	53	-1.0	-51.49	417.74	3.25	-48.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020285887	0	50	-1.0	-51.38	395.68	2.64	-48.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NS(C)(=O)=O)C1	REAL300020285887	1	50	-1.0	-51.38	395.74	2.64	-48.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020285888	0	56	-1.0	-46.99	436.45	3.00	-43.99
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020285888	1	56	-1.0	-47.02	436.51	3.01	-44.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020285889	0	53	-1.0	-52.61	412.62	2.42	-50.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCO)CC1	REAL300020285889	1	53	-1.0	-52.63	412.66	2.43	-50.20
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020285890	0	48	-1.0	-40.80	386.79	8.01	-32.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020285890	1	48	-1.0	-40.79	386.84	8.02	-32.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020285891	0	45	-1.0	-47.77	354.39	7.56	-40.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020285891	1	45	-1.0	-47.80	354.45	7.57	-40.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020285892	0	48	-1.0	-42.56	378.16	7.78	-34.78
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020285892	1	48	-1.0	-42.59	378.21	7.80	-34.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020285893	0	45	-1.0	-47.71	341.53	7.29	-40.42
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020285893	1	45	-1.0	-47.69	341.56	7.29	-40.40
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)CC1	REAL300020285894	0	52	-1.0	-44.08	406.78	10.09	-33.99
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)CC1	REAL300020285894	1	52	-1.0	-44.09	406.84	10.08	-34.01
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285895	0	54	-1.0	-40.46	407.91	9.86	-30.60
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285895	1	54	-1.0	-40.44	407.96	9.87	-30.57
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285896	0	51	-1.0	-46.89	386.31	9.25	-37.64
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285896	1	51	-1.0	-46.92	386.56	9.23	-37.69
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285897	0	54	-1.0	-39.69	413.40	9.38	-30.31
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285897	1	54	-1.0	-39.74	413.45	9.39	-30.35
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285898	0	51	-1.0	-45.63	380.90	9.50	-36.13
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285898	1	51	-1.0	-45.60	380.88	9.50	-36.10
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020285899	0	52	-1.0	-40.51	393.57	9.07	-31.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020285899	1	52	-1.0	-40.49	393.63	9.08	-31.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020285900	0	49	-1.0	-47.88	352.98	7.72	-40.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020285900	1	49	-1.0	-47.91	353.02	7.72	-40.19
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020285901	0	56	-1.0	-43.64	406.21	10.28	-33.36
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020285901	1	56	-1.0	-43.60	406.25	10.27	-33.33
CC=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285902	0	55	-1.0	-40.08	419.46	9.97	-30.11
CC=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285902	1	55	-1.0	-40.15	419.52	9.98	-30.17
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285903	0	52	-1.0	-46.95	393.04	9.38	-37.57
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285903	1	52	-1.0	-46.95	393.12	9.38	-37.57
CNS(=O)(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285904	0	53	-1.0	-51.88	413.76	3.55	-48.33
CNS(=O)(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285904	1	53	-1.0	-51.85	413.82	3.56	-48.29
COCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020285905	0	53	-1.0	-41.52	402.52	5.96	-35.56
COCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020285905	1	53	-1.0	-41.47	402.58	5.98	-35.49
COCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020285906	0	50	-1.0	-42.40	389.34	4.85	-37.55
COCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020285906	1	50	-1.0	-42.39	389.40	4.88	-37.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020285907	0	53	-1.0	-51.54	417.53	9.33	-42.21
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020285907	1	53	-1.0	-51.55	417.58	9.35	-42.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020285908	0	50	-1.0	-51.40	396.16	9.08	-42.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020285908	1	50	-1.0	-51.41	396.23	9.11	-42.30
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020285909	0	50	-1.0	-46.89	381.75	2.47	-44.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020285909	1	50	-1.0	-46.92	381.81	2.49	-44.43
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020285910	0	47	-1.0	-46.08	377.56	2.35	-43.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020285910	1	47	-1.0	-46.09	377.61	2.38	-43.71
CCC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1	REAL300020285911	0	58	-1.0	-42.76	449.34	11.30	-31.46
CCC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020285911	1	58	-1.0	-42.80	449.40	11.33	-31.47
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020285912	0	52	-1.0	-41.67	404.27	11.46	-30.21
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020285912	1	52	-1.0	-41.69	404.33	11.48	-30.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020285913	0	49	-1.0	-47.70	388.13	10.88	-36.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020285913	1	49	-1.0	-47.71	388.09	10.86	-36.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020285914	0	56	-1.0	-40.68	419.62	9.33	-31.35
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020285914	1	56	-1.0	-40.69	419.67	9.34	-31.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020285915	0	53	-1.0	-45.89	386.31	8.90	-36.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020285915	1	53	-1.0	-45.95	386.27	8.95	-37.00
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285916	0	60	0.0	-69.69	410.22	8.47	-61.22
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285916	1	60	0.0	-69.63	410.28	8.48	-61.15
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285917	0	57	0.0	-67.60	399.68	7.60	-60.00
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285917	1	57	0.0	-67.56	399.74	7.62	-59.94
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020285918	0	48	-1.0	-41.07	376.88	6.95	-34.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020285918	1	48	-1.0	-41.09	376.94	6.96	-34.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020285919	0	45	-1.0	-42.12	339.54	5.46	-36.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020285919	1	45	-1.0	-42.13	339.60	5.48	-36.65
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020285920	0	50	-1.0	-41.09	391.65	6.22	-34.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020285920	1	50	-1.0	-41.11	391.71	6.24	-34.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020285921	0	47	-1.0	-43.28	370.46	5.48	-37.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020285921	1	47	-1.0	-43.26	370.40	5.44	-37.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020285922	0	61	0.0	-64.60	435.60	9.30	-55.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020285922	1	61	0.0	-64.60	435.65	9.32	-55.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020285923	0	58	0.0	-63.92	413.82	8.50	-55.42
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020285923	1	58	0.0	-63.96	413.88	8.52	-55.44
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020285924	0	49	-1.0	-44.21	390.03	4.29	-39.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020285924	1	49	-1.0	-44.22	390.09	4.30	-39.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020285925	0	46	-1.0	-44.84	377.72	3.73	-41.11
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020285925	1	46	-1.0	-44.85	377.78	3.76	-41.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020285926	0	51	-1.0	-46.37	409.46	8.07	-38.30
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020285926	1	51	-1.0	-46.35	409.52	8.09	-38.26
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285927	0	61	0.0	-63.48	423.46	8.75	-54.73
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285927	1	61	0.0	-63.48	423.52	8.77	-54.71
CCON1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285928	0	51	-1.0	-39.55	404.52	5.89	-33.66
CCON1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285928	1	51	-1.0	-39.59	404.58	5.91	-33.68
CCON1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285929	0	48	-1.0	-45.06	367.79	5.39	-39.67
CCON1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285929	1	48	-1.0	-45.05	367.83	5.40	-39.65
CCON1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020285930	0	55	-1.0	-41.27	430.28	8.14	-33.13
CCON1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020285930	1	55	-1.0	-41.19	430.30	8.14	-33.05
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020285931	0	51	-1.0	-40.54	396.12	8.55	-31.99
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020285931	1	51	-1.0	-40.54	396.18	8.57	-31.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020285932	0	48	-1.0	-42.72	369.40	7.93	-34.79
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020285932	1	48	-1.0	-42.71	369.45	7.95	-34.76
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCF)CC1	REAL300020285933	0	55	-1.0	-42.19	424.60	10.31	-31.88
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCF)CC1	REAL300020285933	1	55	-1.0	-42.16	424.60	10.30	-31.86
CCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020285934	0	53	-1.0	-41.24	395.48	4.85	-36.39
CCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020285934	1	53	-1.0	-41.24	395.53	4.87	-36.37
CCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020285935	0	50	-1.0	-43.18	391.45	4.92	-38.26
CCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020285935	1	50	-1.0	-43.16	391.51	4.94	-38.22
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285936	0	61	0.0	-68.84	450.44	7.44	-61.40
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285936	1	61	0.0	-68.85	450.49	7.47	-61.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020285937	0	49	-1.0	-43.40	390.70	9.64	-33.76
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020285937	1	49	-1.0	-43.39	390.76	9.66	-33.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020285938	0	46	-1.0	-44.05	368.72	7.74	-36.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020285938	1	46	-1.0	-44.07	368.78	7.76	-36.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020285939	0	59	0.0	-65.89	420.64	6.77	-59.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020285939	1	58	-1.0	-43.67	406.31	4.50	-39.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020285939	1	58	-1.0	-43.68	406.37	4.52	-39.16
CSC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285940	0	49	-1.0	-39.74	390.23	8.21	-31.53
CSC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285940	1	49	-1.0	-39.70	390.29	8.23	-31.47
CSC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020285941	0	46	-1.0	-45.11	363.69	7.79	-37.32
CSC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020285941	1	46	-1.0	-45.12	363.73	7.79	-37.33
CSC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020285942	0	53	-1.0	-41.77	426.91	10.39	-31.38
CSC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020285942	1	53	-1.0	-41.79	426.96	10.38	-31.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020285943	0	55	-1.0	-44.76	407.24	9.46	-35.30
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020285943	1	55	-1.0	-44.81	407.30	9.49	-35.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020285944	0	60	-1.0	-41.27	439.07	10.16	-31.11
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020285944	1	60	-1.0	-41.26	439.13	10.18	-31.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020285945	0	57	-1.0	-41.48	407.90	10.70	-30.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020285945	1	57	-1.0	-41.46	407.96	10.73	-30.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020285946	0	49	-1.0	-43.86	375.76	3.71	-40.15
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020285946	1	49	-1.0	-43.87	375.82	3.73	-40.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020285947	0	46	-1.0	-45.77	366.90	3.01	-42.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020285947	1	46	-1.0	-45.74	366.95	3.04	-42.70
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020285948	0	53	-1.0	-44.78	411.72	5.62	-39.16
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020285948	1	53	-1.0	-44.78	411.78	5.62	-39.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020285949	0	52	-1.0	-49.90	402.91	6.18	-43.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020285949	1	52	-1.0	-49.86	402.97	6.20	-43.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020285950	0	49	-1.0	-51.53	375.23	5.45	-46.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020285950	1	49	-1.0	-51.52	375.29	5.48	-46.04
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020285951	0	49	-1.0	-41.57	386.68	7.85	-33.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020285951	1	49	-1.0	-41.59	386.73	7.87	-33.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020285952	0	46	-1.0	-49.95	357.35	7.36	-42.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020285952	1	46	-1.0	-49.94	357.39	7.38	-42.56
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC1C#N	REAL300020285953	0	53	-1.0	-44.55	404.16	10.08	-34.47
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC1C#N	REAL300020285953	1	53	-1.0	-44.52	404.18	10.07	-34.45
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020285954	0	53	-1.0	-55.15	413.18	5.35	-49.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020285954	1	53	-1.0	-55.14	413.23	5.37	-49.77
CC(=O)NC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020285955	0	53	-1.0	-54.26	411.01	7.16	-47.10
CC(=O)NC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020285955	1	53	-1.0	-54.25	411.06	7.17	-47.08
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020285956	0	56	-1.0	-44.61	400.73	6.53	-38.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020285956	1	56	-1.0	-44.59	400.79	6.55	-38.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020285957	0	53	-1.0	-46.13	384.55	5.98	-40.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020285957	1	53	-1.0	-46.16	384.61	6.00	-40.16
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020285958	0	52	-1.0	-40.36	416.42	8.11	-32.25
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020285958	1	52	-1.0	-40.38	416.47	8.13	-32.25
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020285959	0	49	-1.0	-42.15	393.88	7.33	-34.82
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020285959	1	49	-1.0	-42.16	393.83	7.30	-34.86
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020285960	0	47	-1.0	-41.48	359.38	6.23	-35.25
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020285960	1	47	-1.0	-41.47	359.43	6.25	-35.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020285961	0	44	-1.0	-44.40	336.73	5.80	-38.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020285961	1	44	-1.0	-44.41	336.79	5.81	-38.60
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020285962	0	51	-1.0	-43.52	384.52	8.46	-35.06
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020285962	1	51	-1.0	-43.49	384.56	8.45	-35.04
COCC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CCC2=N1	REAL300020285963	0	54	-1.0	-42.08	433.29	6.30	-35.78
COCC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CCC2=N1	REAL300020285963	1	54	-1.0	-42.07	433.35	6.32	-35.75
COCC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCC2=N1	REAL300020285964	0	51	-1.0	-45.03	409.71	5.72	-39.31
COCC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCC2=N1	REAL300020285964	1	51	-1.0	-45.09	409.77	5.73	-39.36
COC(=O)[C@@]1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@@H]1C	REAL300020285965	0	54	-1.0	-41.31	415.25	7.94	-33.37
COC(=O)[C@@]1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285965	1	54	-1.0	-41.33	415.31	7.96	-33.37
COC(=O)[C@@]1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@@H]1C	REAL300020285966	0	51	-1.0	-45.84	393.69	7.15	-38.69
COC(=O)[C@@]1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020285966	1	51	-1.0	-45.84	393.73	7.17	-38.67
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020285967	0	58	0.0	-80.01	446.13	10.14	-69.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020285967	1	58	0.0	-79.98	446.07	10.12	-69.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020285968	0	55	0.0	-80.02	421.21	9.44	-70.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020285968	1	55	0.0	-80.02	421.15	9.41	-70.61
CCC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020285969	0	49	-1.0	-47.29	379.91	6.94	-40.35
CCC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020285969	1	49	-1.0	-47.33	379.68	6.96	-40.37
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020285970	0	49	-1.0	-42.97	381.80	6.54	-36.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020285970	1	49	-1.0	-42.99	381.86	6.55	-36.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020285971	0	46	-1.0	-47.86	358.25	6.02	-41.84
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020285971	1	46	-1.0	-47.89	358.34	6.03	-41.86
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020285972	0	56	-1.0	-43.69	427.10	11.75	-31.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020285972	1	56	-1.0	-43.65	427.16	11.76	-31.89
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020285973	0	53	-1.0	-48.31	398.64	10.44	-37.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020285973	1	53	-1.0	-48.30	398.70	10.45	-37.85
COC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285974	0	52	-1.0	-40.39	400.86	6.05	-34.34
COC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285974	1	52	-1.0	-40.36	400.92	6.07	-34.29
COC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020285975	0	49	-1.0	-43.35	374.73	5.05	-38.30
COC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020285975	1	49	-1.0	-43.33	374.79	5.07	-38.26
COC1CCC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020285976	0	56	-1.0	-41.40	426.67	7.77	-33.63
COC1CCC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020285976	1	56	-1.0	-41.43	426.69	7.77	-33.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020285977	0	55	-1.0	-45.26	408.92	7.37	-37.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020285977	1	55	-1.0	-45.29	408.85	7.38	-37.91
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020285978	0	58	-1.0	-43.38	446.42	8.49	-34.89
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020285978	1	58	-1.0	-43.36	446.47	8.51	-34.85
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020285979	0	55	-1.0	-46.77	423.74	7.96	-38.81
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020285979	1	55	-1.0	-46.83	423.80	7.98	-38.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020285980	0	54	-1.0	-41.41	424.55	8.96	-32.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020285980	1	54	-1.0	-41.39	424.60	8.98	-32.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020285981	0	51	-1.0	-46.75	396.93	8.36	-38.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020285981	1	51	-1.0	-46.76	396.98	8.36	-38.40
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020285982	0	48	-1.0	-46.24	384.97	4.09	-42.15
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020285982	1	48	-1.0	-46.26	385.02	4.11	-42.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020285983	0	45	-1.0	-48.98	362.49	3.48	-45.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020285983	1	45	-1.0	-48.91	362.55	3.50	-45.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020285984	0	52	-1.0	-44.98	398.50	6.20	-38.78
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020285984	1	52	-1.0	-44.97	398.56	6.20	-38.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020285985	0	49	-1.0	-49.65	384.28	5.84	-43.81
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020285985	1	49	-1.0	-49.65	384.20	5.85	-43.80
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020285986	0	50	-1.0	-43.30	395.43	7.78	-35.52
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020285986	1	50	-1.0	-43.34	395.45	7.79	-35.55
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020285987	0	47	-1.0	-48.01	351.73	5.80	-42.21
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020285987	1	47	-1.0	-48.04	351.74	5.79	-42.25
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020285988	0	42	-1.0	-47.49	345.60	7.07	-40.42
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020285988	1	42	-1.0	-47.49	345.54	7.05	-40.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020285989	0	39	-1.0	-50.96	318.71	6.38	-44.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020285989	1	39	-1.0	-50.95	318.65	6.37	-44.58
CC(C)CN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020285990	0	46	-1.0	-49.41	380.39	9.41	-40.00
CC(C)CN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020285990	1	46	-1.0	-49.39	380.04	9.41	-39.98
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020285991	0	50	-1.0	-43.26	401.21	8.14	-35.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020285991	1	50	-1.0	-43.25	401.27	8.16	-35.09
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020285992	0	48	-1.0	-41.92	384.91	8.39	-33.53
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020285992	1	48	-1.0	-41.93	384.97	8.41	-33.52
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020285993	0	45	-1.0	-47.17	358.96	7.77	-39.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020285993	1	45	-1.0	-47.19	358.92	7.79	-39.40
COC1=CC=CC=C1C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020285994	0	54	-1.0	-48.39	402.99	6.62	-41.77
COC1=CC=CC=C1C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020285994	1	54	-1.0	-48.34	403.04	6.65	-41.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020285995	0	50	-1.0	-41.71	371.19	8.17	-33.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020285995	1	50	-1.0	-41.69	371.24	8.19	-33.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020285996	0	47	-1.0	-46.80	346.38	8.45	-38.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020285996	1	47	-1.0	-46.82	346.33	8.45	-38.37
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020285997	0	54	-1.0	-43.15	403.86	10.37	-32.78
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020285997	1	54	-1.0	-43.11	403.91	10.37	-32.74
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020285998	0	57	-1.0	-46.88	433.55	7.17	-39.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020285998	1	57	-1.0	-46.87	433.60	7.18	-39.69
COC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCO2)C=C1	REAL300020285999	0	54	-1.0	-44.20	428.76	7.27	-36.93
COC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCO2)C=C1	REAL300020285999	1	54	-1.0	-44.24	428.82	7.29	-36.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020286000	0	49	-1.0	-46.68	392.81	5.29	-41.39
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020286000	1	49	-1.0	-46.67	392.87	5.31	-41.36
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020286001	0	46	-1.0	-52.02	363.38	4.86	-47.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020286001	1	46	-1.0	-52.06	363.43	4.87	-47.19
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020286002	0	55	-1.0	-41.70	429.29	10.82	-30.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020286002	1	55	-1.0	-41.70	429.35	10.84	-30.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020286003	0	52	-1.0	-42.60	407.06	10.03	-32.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020286003	1	52	-1.0	-42.59	407.12	10.05	-32.54
CC(=O)N1CCOC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC21	REAL300020286004	0	54	-1.0	-51.06	408.11	5.24	-45.82
CC(=O)N1CCOC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC21	REAL300020286004	1	54	-1.0	-51.04	408.17	5.25	-45.79
CC(=O)N1CCOC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC21	REAL300020286005	0	51	-1.0	-57.44	385.26	4.69	-52.75
CC(=O)N1CCOC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC21	REAL300020286005	1	51	-1.0	-57.39	385.34	4.71	-52.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020286006	0	50	-1.0	-41.87	372.35	7.83	-34.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020286006	1	50	-1.0	-41.91	372.40	7.84	-34.07
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020286007	0	47	-1.0	-41.72	372.99	8.01	-33.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020286007	1	47	-1.0	-41.73	373.05	8.03	-33.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020286008	0	51	-1.0	-40.40	410.40	10.06	-30.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020286008	1	51	-1.0	-40.32	410.46	10.08	-30.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020286009	0	48	-1.0	-44.87	388.69	9.39	-35.48
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020286009	1	48	-1.0	-44.83	388.80	9.38	-35.45
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286010	0	55	-1.0	-42.40	419.55	8.72	-33.68
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286010	1	55	-1.0	-42.41	419.61	8.73	-33.68
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286011	0	52	-1.0	-44.27	397.41	7.93	-36.34
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286011	1	52	-1.0	-44.25	397.35	7.90	-36.35
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020286012	0	55	0.0	-72.79	385.90	7.50	-65.29
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020286012	1	55	0.0	-69.19	401.58	8.29	-60.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020286012	1	55	0.0	-72.81	385.95	7.52	-65.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020286012	1	55	0.0	-69.21	401.64	8.31	-60.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020286013	0	52	0.0	-66.13	394.29	7.73	-58.40
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020286013	1	52	0.0	-66.18	386.71	7.50	-58.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020286013	1	52	0.0	-66.12	394.34	7.76	-58.36
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020286013	1	52	0.0	-66.17	386.77	7.53	-58.64
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020286014	0	52	-1.0	-44.65	417.48	7.85	-36.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020286014	1	52	-1.0	-44.65	417.54	7.88	-36.77
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020286015	0	54	-1.0	-41.07	423.20	8.15	-32.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020286015	1	54	-1.0	-41.08	423.25	8.17	-32.91
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020286016	0	51	-1.0	-42.79	403.17	7.52	-35.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020286016	1	51	-1.0	-42.76	403.23	7.55	-35.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020286017	0	55	-1.0	-46.08	406.08	9.55	-36.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020286017	1	55	-1.0	-46.05	406.14	9.57	-36.48
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020286018	0	60	0.0	-69.06	437.85	7.04	-62.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020286018	1	60	0.0	-69.07	437.91	7.05	-62.02
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020286019	0	51	-1.0	-44.82	406.06	5.92	-38.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020286019	1	51	-1.0	-44.83	406.11	5.93	-38.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020286020	0	48	-1.0	-46.19	378.54	5.21	-40.98
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020286020	1	48	-1.0	-46.20	378.60	5.25	-40.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020286021	0	53	-1.0	-46.00	413.67	8.45	-37.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020286021	1	53	-1.0	-45.98	413.73	8.47	-37.51
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020286022	0	50	-1.0	-53.21	397.38	7.72	-45.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020286022	1	50	-1.0	-53.22	397.44	7.74	-45.48
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020286023	0	57	0.0	-68.45	406.20	8.50	-59.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020286023	1	57	0.0	-68.57	408.63	9.20	-59.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020286023	1	57	0.0	-68.44	406.26	8.52	-59.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020286023	1	57	0.0	-68.57	408.68	9.21	-59.36
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020286024	0	54	0.0	-62.95	400.54	7.85	-55.10
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020286024	1	54	0.0	-70.58	382.19	7.91	-62.67
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020286024	1	54	0.0	-62.95	400.61	7.88	-55.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020286024	1	54	0.0	-70.66	381.89	7.94	-62.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020286025	0	57	-1.0	-50.11	435.91	9.38	-40.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020286025	1	57	-1.0	-50.13	435.96	9.39	-40.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020286026	0	59	-1.0	-41.38	437.63	10.06	-31.32
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020286026	1	59	-1.0	-41.34	437.69	10.08	-31.26
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020286027	0	56	-1.0	-42.28	422.15	8.45	-33.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020286027	1	56	-1.0	-42.29	422.21	8.48	-33.81
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020286028	0	55	-1.0	-42.66	426.62	11.22	-31.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020286028	1	55	-1.0	-42.70	426.68	11.25	-31.45
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020286029	0	52	-1.0	-43.88	409.31	9.72	-34.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020286029	1	52	-1.0	-43.90	409.37	9.74	-34.16
COC(=O)C1=NOC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)C1	REAL300020286030	0	50	-1.0	-51.25	398.02	5.95	-45.30
COC(=O)C1=NOC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)C1	REAL300020286030	1	50	-1.0	-51.21	398.07	5.97	-45.24
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020286031	0	49	-1.0	-40.80	389.86	6.64	-34.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020286031	1	49	-1.0	-40.78	389.92	6.65	-34.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020286032	0	46	-1.0	-41.67	368.30	5.85	-35.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020286032	1	46	-1.0	-41.68	368.36	5.88	-35.80
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020286033	0	46	-1.0	-47.29	378.27	5.05	-42.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020286033	1	46	-1.0	-47.29	378.33	5.06	-42.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020286034	0	43	-1.0	-50.26	362.20	4.78	-45.48
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020286034	1	43	-1.0	-50.28	362.25	4.81	-45.47
CCOC(=O)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020286035	0	55	-1.0	-44.86	433.84	7.87	-36.99
CCOC(=O)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020286035	1	55	-1.0	-44.85	433.89	7.88	-36.97
CCOC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020286036	0	52	-1.0	-52.30	401.58	7.17	-45.13
CCOC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020286036	1	52	-1.0	-52.34	401.64	7.18	-45.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020286037	0	52	-1.0	-44.08	428.98	9.99	-34.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020286037	1	52	-1.0	-44.09	429.04	10.01	-34.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020286038	0	49	-1.0	-46.31	409.05	9.23	-37.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020286038	1	49	-1.0	-46.34	409.13	9.25	-37.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020286039	0	45	-1.0	-43.06	373.40	9.04	-34.02
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020286039	1	45	-1.0	-43.05	373.35	9.03	-34.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020286040	0	42	-1.0	-44.96	348.61	8.35	-36.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020286040	1	42	-1.0	-44.91	348.55	8.33	-36.58
CC(C)CN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020286041	0	49	-1.0	-45.13	408.45	11.06	-34.07
CC(C)CN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020286041	1	49	-1.0	-45.13	408.42	11.07	-34.06
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020286042	0	52	-1.0	-42.50	380.25	4.96	-37.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020286042	1	52	-1.0	-42.49	380.31	4.98	-37.51
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020286043	0	49	-1.0	-44.70	369.53	4.14	-40.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020286043	1	49	-1.0	-44.77	369.58	4.16	-40.61
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1C	REAL300020286044	0	56	-1.0	-42.73	427.52	7.27	-35.46
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1C	REAL300020286044	1	56	-1.0	-42.67	427.59	7.26	-35.41
CC(C)CC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286045	0	58	-1.0	-52.05	426.62	9.03	-43.02
CC(C)CC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286045	1	58	-1.0	-52.10	426.16	9.06	-43.04
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020286046	0	50	-1.0	-43.30	395.43	7.78	-35.52
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020286046	1	50	-1.0	-43.34	395.45	7.79	-35.55
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020286047	0	47	-1.0	-48.01	351.73	5.80	-42.21
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020286047	1	47	-1.0	-48.04	351.74	5.79	-42.25
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286048	0	49	-1.0	-46.65	373.27	11.41	-35.24
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286048	1	49	-1.0	-46.63	373.32	11.43	-35.20
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286049	0	46	-1.0	-51.64	348.22	10.98	-40.66
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286049	1	46	-1.0	-51.61	348.17	10.96	-40.65
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020286050	0	49	-1.0	-47.94	381.77	8.55	-39.39
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020286050	1	49	-1.0	-47.95	381.83	8.56	-39.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020286051	0	57	-1.0	-49.61	432.75	8.97	-40.64
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020286051	1	57	-1.0	-49.61	432.81	8.97	-40.64
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286052	0	63	0.0	-66.21	452.33	9.13	-57.08
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286052	1	63	0.0	-66.20	452.39	9.16	-57.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020286053	0	55	-1.0	-45.97	432.56	4.57	-41.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020286053	1	55	-1.0	-45.99	432.62	4.59	-41.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020286053	1	56	0.0	-69.37	430.67	7.17	-62.20
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020286054	0	46	-1.0	-39.80	350.51	6.85	-32.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020286054	1	46	-1.0	-39.82	350.57	6.86	-32.96
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020286055	0	43	-1.0	-44.62	326.49	6.32	-38.30
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020286055	1	43	-1.0	-44.64	326.51	6.32	-38.32
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS[C@H](C)C1	REAL300020286056	0	50	-1.0	-41.52	402.80	9.95	-31.57
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS[C@H](C)C1	REAL300020286056	1	50	-1.0	-41.49	402.84	9.94	-31.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020286057	0	48	-1.0	-41.31	375.26	5.81	-35.50
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020286057	1	48	-1.0	-41.30	375.32	5.82	-35.48
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020286058	0	45	-1.0	-43.36	351.43	4.92	-38.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020286058	1	45	-1.0	-43.37	351.48	4.94	-38.43
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020286059	0	52	-1.0	-41.69	414.94	8.26	-33.43
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020286059	1	52	-1.0	-41.64	414.98	8.25	-33.39
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020286060	0	53	-1.0	-44.30	393.68	5.72	-38.58
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020286060	1	53	-1.0	-44.25	393.74	5.73	-38.52
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020286060	1	54	0.0	-47.23	404.54	7.31	-39.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020286061	0	50	-1.0	-43.00	392.53	6.48	-36.52
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020286061	1	50	-1.0	-43.00	392.59	6.51	-36.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020286061	1	51	0.0	-59.59	389.04	5.76	-53.83
COCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CCOCC1	REAL300020286062	0	56	-1.0	-41.15	416.00	5.12	-36.03
COCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CCOCC1	REAL300020286062	1	56	-1.0	-41.15	416.05	5.14	-36.01
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CCOCC1	REAL300020286063	0	53	-1.0	-43.92	396.99	5.10	-38.82
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCOCC1	REAL300020286063	1	53	-1.0	-43.93	397.05	5.13	-38.80
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C=CC1C2	REAL300020286064	0	44	-1.0	-42.03	342.70	6.91	-35.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C=CC1C2	REAL300020286064	1	44	-1.0	-42.01	342.76	6.92	-35.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C=CC1C2	REAL300020286065	0	41	-1.0	-43.49	319.43	6.35	-37.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C=CC1C2	REAL300020286065	1	41	-1.0	-43.49	319.37	6.32	-37.17
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020286066	0	48	-1.0	-42.74	381.14	9.20	-33.54
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020286066	1	48	-1.0	-42.72	381.19	9.18	-33.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020286067	0	56	-1.0	-41.87	418.00	7.90	-33.97
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020286067	1	56	-1.0	-41.90	418.05	7.92	-33.98
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020286068	0	53	-1.0	-47.86	383.26	7.41	-40.45
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020286068	1	53	-1.0	-47.89	383.30	7.41	-40.48
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020286069	0	53	-1.0	-42.87	398.67	10.02	-32.85
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020286069	1	53	-1.0	-42.91	398.73	10.04	-32.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020286070	0	50	-1.0	-49.84	372.43	9.49	-40.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020286070	1	50	-1.0	-49.85	372.39	9.49	-40.36
COC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=C1	REAL300020286071	0	55	-1.0	-48.01	416.25	6.88	-41.13
COC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020286071	1	55	-1.0	-48.06	416.28	6.90	-41.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020286072	0	54	-1.0	-42.58	404.64	5.79	-36.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020286072	1	54	-1.0	-42.56	404.70	5.80	-36.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020286073	0	51	-1.0	-44.89	390.14	5.40	-39.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020286073	1	51	-1.0	-44.90	390.20	5.42	-39.48
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286074	0	50	-1.0	-41.39	370.92	8.03	-33.36
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286074	1	50	-1.0	-41.42	370.98	8.05	-33.37
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286075	0	47	-1.0	-45.66	349.30	8.86	-36.80
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286075	1	47	-1.0	-45.61	349.26	8.85	-36.76
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020286076	0	54	-1.0	-43.10	410.41	11.00	-32.10
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020286076	1	54	-1.0	-43.13	410.39	10.99	-32.14
COC1=CC=C(CN(CCO)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020286077	0	53	-1.0	-44.82	412.60	4.12	-40.70
COC1=CC=C(CN(CCO)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020286077	1	53	-1.0	-44.79	412.66	4.15	-40.64
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020286078	0	59	-1.0	-46.56	420.65	8.61	-37.95
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020286078	1	59	-1.0	-46.61	420.16	8.60	-38.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020286079	0	44	-1.0	-40.06	371.35	6.62	-33.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020286079	1	44	-1.0	-40.07	371.40	6.63	-33.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020286080	0	41	-1.0	-41.58	349.90	5.85	-35.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020286080	1	41	-1.0	-41.59	349.84	5.83	-35.76
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=NS1	REAL300020286081	0	48	-1.0	-43.22	396.95	8.62	-34.60
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=NS1	REAL300020286081	1	48	-1.0	-43.26	397.01	8.62	-34.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020286082	0	45	-1.0	-41.35	353.24	7.85	-33.50
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020286082	1	45	-1.0	-41.35	353.30	7.86	-33.49
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020286083	0	42	-1.0	-45.43	328.18	6.65	-38.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020286083	1	42	-1.0	-45.44	328.24	6.66	-38.78
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020286084	0	49	-1.0	-42.17	392.57	9.12	-33.05
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020286084	1	49	-1.0	-42.15	392.62	9.11	-33.04
COC1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286085	0	49	-1.0	-42.34	385.43	6.05	-36.29
COC1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286085	1	49	-1.0	-42.33	385.48	6.06	-36.27
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286086	0	46	-1.0	-47.71	358.46	5.47	-42.24
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286086	1	46	-1.0	-47.66	358.38	5.48	-42.18
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020286087	0	48	-1.0	-39.18	377.45	8.19	-30.99
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020286087	1	48	-1.0	-39.21	377.50	8.21	-31.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020286088	0	45	-1.0	-47.62	343.17	6.95	-40.67
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020286088	1	45	-1.0	-47.62	343.23	6.97	-40.65
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020286089	0	52	-1.0	-44.57	398.88	9.96	-34.61
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020286089	1	52	-1.0	-44.52	398.92	9.95	-34.57
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020286090	0	45	-1.0	-39.94	352.17	7.41	-32.53
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020286090	1	45	-1.0	-40.00	352.23	7.42	-32.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020286091	0	42	-1.0	-40.57	329.95	6.61	-33.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020286091	1	42	-1.0	-40.57	330.01	6.64	-33.93
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020286092	0	49	-1.0	-41.49	382.82	9.47	-32.02
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020286092	1	49	-1.0	-41.48	382.87	9.46	-32.02
CC(=O)N1C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C[C@H]2C1	REAL300020286093	0	53	-1.0	-47.85	402.69	6.52	-41.33
CC(=O)N1C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C[C@H]2C1	REAL300020286093	1	53	-1.0	-47.85	402.75	6.53	-41.32
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C[C@H]2C1	REAL300020286094	0	50	-1.0	-55.61	384.13	5.80	-49.81
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C[C@H]2C1	REAL300020286094	1	50	-1.0	-55.63	384.19	5.83	-49.80
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020286095	0	48	-1.0	-41.14	369.47	6.47	-34.67
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020286095	1	48	-1.0	-41.13	369.53	6.49	-34.64
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020286096	0	45	-1.0	-48.18	366.79	6.54	-41.64
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020286096	1	45	-1.0	-48.17	366.85	6.55	-41.62
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020286097	0	58	-1.0	-41.53	413.66	9.87	-31.66
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020286097	1	58	-1.0	-41.53	413.71	9.89	-31.64
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020286098	0	55	-1.0	-43.12	424.65	10.47	-32.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020286098	1	55	-1.0	-43.10	424.71	10.49	-32.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020286099	0	49	-1.0	-41.37	396.18	9.45	-31.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020286099	1	49	-1.0	-41.40	396.24	9.46	-31.94
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020286100	0	46	-1.0	-45.38	368.75	8.93	-36.45
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020286100	1	46	-1.0	-45.35	368.54	8.95	-36.40
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020286101	0	55	-1.0	-40.16	406.34	9.62	-30.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020286101	1	55	-1.0	-40.20	406.40	9.63	-30.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020286102	0	52	-1.0	-42.56	391.43	8.55	-34.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020286102	1	52	-1.0	-42.55	391.36	8.53	-34.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020286103	0	58	0.0	-62.77	434.11	10.58	-52.19
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020286103	1	57	-1.0	-47.46	427.92	8.79	-38.67
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020286103	1	57	-1.0	-47.49	427.95	8.80	-38.69
COC1COCCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286104	0	53	-1.0	-42.73	393.28	5.12	-37.61
COC1COCCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286104	1	53	-1.0	-42.73	393.34	5.13	-37.60
COC1COCCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286105	0	50	-1.0	-41.91	379.32	4.43	-37.48
COC1COCCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286105	1	50	-1.0	-41.89	379.37	4.45	-37.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020286106	0	54	0.0	-64.92	400.42	8.10	-56.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020286106	1	54	0.0	-71.66	375.08	7.34	-64.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020286106	1	53	-1.0	-39.65	395.55	5.81	-33.84
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020286106	1	53	-1.0	-39.66	395.61	5.82	-33.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020286107	0	51	0.0	-61.31	378.87	7.29	-54.02
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020286107	1	51	0.0	-73.40	348.98	6.82	-66.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020286107	1	51	0.0	-61.35	378.93	7.32	-54.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020286107	1	51	0.0	-73.41	349.03	6.84	-66.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020286107	1	50	-1.0	-45.18	349.02	4.50	-40.68
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020286108	0	58	0.0	-70.57	422.37	10.04	-60.53
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020286108	1	58	0.0	-74.79	412.77	9.35	-65.44
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020286108	1	57	-1.0	-41.97	430.42	7.99	-33.98
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020286109	0	55	-1.0	-42.44	414.32	8.15	-34.29
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020286109	1	55	-1.0	-42.38	414.37	8.16	-34.22
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020286110	0	52	-1.0	-48.14	394.24	7.88	-40.26
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020286110	1	52	-1.0	-48.17	394.30	7.90	-40.27
CCCCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286111	0	65	-1.0	-42.19	499.56	12.01	-30.18
CCCCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286111	1	65	-1.0	-42.21	499.62	12.04	-30.17
COC(=O)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020286112	0	52	-1.0	-47.14	415.33	8.89	-38.25
COC(=O)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020286112	1	52	-1.0	-47.15	415.39	8.92	-38.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020286113	0	50	-1.0	-51.22	414.33	6.06	-45.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020286113	1	50	-1.0	-51.20	414.39	6.08	-45.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020286114	0	47	-1.0	-61.21	377.67	5.46	-55.75
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020286114	1	47	-1.0	-61.19	377.73	5.47	-55.72
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020286115	0	49	-1.0	-41.82	390.27	8.72	-33.10
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020286115	1	49	-1.0	-41.83	390.33	8.73	-33.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020286116	0	46	-1.0	-42.75	376.55	7.88	-34.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020286116	1	46	-1.0	-42.77	376.48	7.85	-34.92
COC(=O)CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286117	0	57	-1.0	-46.36	439.93	9.35	-37.01
COC(=O)CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286117	1	57	-1.0	-46.39	439.99	9.37	-37.02
COC(=O)CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286118	0	54	-1.0	-49.15	423.54	8.38	-40.77
COC(=O)CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286118	1	54	-1.0	-49.16	423.60	8.41	-40.75
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020286119	0	53	-1.0	-50.82	409.18	5.33	-45.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020286119	1	53	-1.0	-50.85	409.24	5.35	-45.50
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020286120	0	50	-1.0	-52.34	387.00	4.83	-47.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020286120	1	50	-1.0	-52.34	387.05	4.85	-47.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020286121	0	57	-1.0	-40.76	437.14	7.79	-32.97
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020286121	1	57	-1.0	-40.80	437.20	7.81	-32.99
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020286122	0	54	-1.0	-45.72	393.81	6.73	-38.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020286122	1	54	-1.0	-45.72	393.85	6.74	-38.98
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020286123	0	46	-1.0	-43.52	357.80	4.09	-39.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020286123	1	46	-1.0	-43.54	357.87	4.10	-39.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020286124	0	43	-1.0	-45.74	334.85	3.44	-42.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020286124	1	43	-1.0	-45.76	334.78	3.43	-42.33
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020286125	0	50	-1.0	-44.78	394.87	6.10	-38.68
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020286125	1	50	-1.0	-44.73	394.89	6.09	-38.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020286126	0	47	-1.0	-41.64	355.98	5.39	-36.25
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020286126	1	47	-1.0	-41.68	356.04	5.41	-36.27
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020286127	0	44	-1.0	-47.00	328.18	4.85	-42.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020286127	1	44	-1.0	-46.97	328.23	4.86	-42.11
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020286128	0	51	-1.0	-43.10	387.71	7.27	-35.83
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020286128	1	51	-1.0	-43.11	387.79	7.27	-35.84
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020286129	0	55	-1.0	-42.05	427.52	10.68	-31.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020286129	1	55	-1.0	-42.05	427.58	10.70	-31.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020286130	0	52	-1.0	-46.43	405.81	10.12	-36.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020286130	1	52	-1.0	-46.39	405.84	10.12	-36.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020286131	0	53	-1.0	-46.53	419.49	6.52	-40.01
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020286131	1	53	-1.0	-46.53	419.54	6.53	-40.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020286132	0	50	-1.0	-46.81	393.32	5.89	-40.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020286132	1	50	-1.0	-46.84	393.37	5.91	-40.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020286133	0	53	-1.0	-50.95	404.03	5.12	-45.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020286133	1	53	-1.0	-51.00	404.09	5.13	-45.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020286134	0	50	-1.0	-56.41	382.93	4.39	-52.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020286134	1	50	-1.0	-56.44	382.98	4.41	-52.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020286135	0	50	-1.0	-48.14	389.94	8.36	-39.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020286135	1	50	-1.0	-48.10	390.01	8.36	-39.74
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020286136	0	58	-1.0	-44.86	449.21	8.34	-36.52
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020286136	1	58	-1.0	-47.22	432.67	7.45	-39.77
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020286136	1	58	-1.0	-44.85	449.26	8.36	-36.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020286136	1	58	-1.0	-47.29	432.73	7.48	-39.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020286137	0	55	-1.0	-45.27	411.38	4.74	-40.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020286137	1	55	-1.0	-45.34	411.44	4.77	-40.57
CONC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286138	0	53	-1.0	-47.47	420.60	6.29	-41.18
CONC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286138	1	53	-1.0	-47.53	420.66	6.30	-41.23
CONC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286139	0	50	-1.0	-48.55	400.20	5.58	-42.97
CONC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286139	1	50	-1.0	-48.56	400.25	5.60	-42.96
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020286140	0	48	-1.0	-41.14	376.12	7.52	-33.62
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020286140	1	48	-1.0	-41.08	376.18	7.54	-33.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020286141	0	45	-1.0	-47.27	352.74	7.25	-40.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020286141	1	45	-1.0	-47.27	352.64	7.25	-40.02
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020286142	0	52	-1.0	-42.59	394.16	8.71	-33.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020286142	1	52	-1.0	-42.59	394.22	8.72	-33.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020286143	0	49	-1.0	-45.83	358.92	8.66	-37.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020286143	1	49	-1.0	-45.80	358.89	8.65	-37.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020286144	0	51	-1.0	-45.54	412.66	5.98	-39.56
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020286144	1	51	-1.0	-45.54	412.60	5.96	-39.58
CCOC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC12COC2	REAL300020286145	0	53	-1.0	-48.51	412.15	6.24	-42.27
CCOC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC12COC2	REAL300020286145	1	53	-1.0	-48.51	412.21	6.25	-42.26
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020286146	0	52	-1.0	-49.71	411.66	5.23	-44.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020286146	1	52	-1.0	-49.78	411.72	5.25	-44.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020286147	0	49	-1.0	-55.68	381.89	4.47	-51.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020286147	1	49	-1.0	-55.71	381.97	4.48	-51.23
CC1=CSC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C2)=N1	REAL300020286148	0	51	-1.0	-42.96	408.93	7.61	-35.35
CC1=CSC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C2)=N1	REAL300020286148	1	51	-1.0	-42.94	408.99	7.62	-35.32
CC1=CSC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)=N1	REAL300020286149	0	48	-1.0	-49.42	364.28	5.74	-43.68
CC1=CSC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)=N1	REAL300020286149	1	48	-1.0	-49.43	364.36	5.75	-43.68
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020286150	0	52	-1.0	-46.92	401.28	4.09	-42.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020286150	1	52	-1.0	-46.89	401.34	4.11	-42.78
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020286151	0	51	-1.0	-53.47	407.86	2.63	-50.84
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020286151	1	51	-1.0	-53.50	407.91	2.65	-50.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020286152	0	48	-1.0	-53.05	388.38	1.81	-51.24
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020286152	1	48	-1.0	-53.04	388.44	1.83	-51.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020286153	0	46	-1.0	-44.83	374.51	5.70	-39.13
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020286153	1	46	-1.0	-44.85	374.56	5.72	-39.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020286154	0	43	-1.0	-42.37	353.23	4.92	-37.45
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020286154	1	43	-1.0	-42.36	353.29	4.94	-37.42
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020286155	0	49	-1.0	-47.36	391.17	4.37	-42.99
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020286155	1	49	-1.0	-47.33	391.23	4.38	-42.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020286156	0	46	-1.0	-49.27	369.45	3.45	-45.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020286156	1	46	-1.0	-49.28	369.51	3.47	-45.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020286157	0	61	0.0	-66.76	426.86	9.43	-57.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020286157	1	61	0.0	-66.79	426.91	9.46	-57.33
CC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286158	0	50	-1.0	-43.10	392.53	7.64	-35.46
CC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286158	1	50	-1.0	-43.12	392.59	7.66	-35.46
CC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286159	0	47	-1.0	-49.16	365.99	7.22	-41.94
CC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286159	1	47	-1.0	-49.13	366.04	7.22	-41.91
CC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020286160	0	54	-1.0	-44.79	430.66	9.74	-35.05
CC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020286160	1	54	-1.0	-44.72	430.69	9.71	-35.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020286161	0	51	-1.0	-39.25	416.90	9.42	-29.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020286161	1	51	-1.0	-39.24	416.96	9.44	-29.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020286162	0	48	-1.0	-41.29	398.99	8.72	-32.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020286162	1	48	-1.0	-41.29	399.04	8.74	-32.55
CC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286163	0	50	-1.0	-48.05	396.91	7.68	-40.37
CC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286163	1	50	-1.0	-48.03	396.97	7.70	-40.33
CC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286164	0	47	-1.0	-54.52	363.64	7.11	-47.41
CC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286164	1	47	-1.0	-54.52	363.71	7.12	-47.40
CC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020286165	0	54	-1.0	-49.33	427.34	9.62	-39.71
CC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020286165	1	54	-1.0	-49.27	427.42	9.60	-39.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020286166	0	55	-1.0	-43.11	408.69	5.69	-37.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020286166	1	55	-1.0	-43.14	408.75	5.71	-37.43
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020286167	0	52	-1.0	-42.99	391.99	5.08	-37.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020286167	1	52	-1.0	-43.05	392.02	5.08	-37.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020286168	0	56	-1.0	-40.71	401.78	10.42	-30.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020286168	1	56	-1.0	-40.73	401.84	10.43	-30.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020286169	0	53	-1.0	-41.19	382.78	9.80	-31.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020286169	1	53	-1.0	-41.19	382.84	9.83	-31.36
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020286170	0	60	-1.0	-42.12	428.39	12.51	-29.61
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020286170	1	60	-1.0	-42.07	428.42	12.50	-29.57
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020286171	0	50	-1.0	-43.32	388.73	3.07	-40.25
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020286171	1	50	-1.0	-43.30	388.79	3.08	-40.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020286172	0	47	-1.0	-44.70	373.22	2.16	-42.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020286172	1	47	-1.0	-44.65	373.28	2.19	-42.46
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCO)C1	REAL300020286173	0	54	-1.0	-44.72	421.08	5.21	-39.51
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCO)C1	REAL300020286173	1	54	-1.0	-44.70	421.09	5.20	-39.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020286174	0	53	-1.0	-42.75	404.22	2.97	-39.78
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020286174	1	53	-1.0	-42.74	404.28	2.99	-39.75
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020286175	0	50	-1.0	-45.32	368.24	2.05	-43.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020286175	1	50	-1.0	-45.40	368.30	2.08	-43.32
CC(=O)NC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020286176	0	53	-1.0	-48.30	415.12	6.98	-41.32
CC(=O)NC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020286176	1	53	-1.0	-48.24	415.17	7.00	-41.24
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020286177	0	47	-1.0	-44.16	366.41	7.24	-36.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020286177	1	47	-1.0	-44.22	366.47	7.25	-36.97
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020286178	0	44	-1.0	-45.09	345.47	7.13	-37.96
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020286178	1	44	-1.0	-45.10	345.42	7.11	-37.99
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020286179	0	51	-1.0	-43.93	394.59	9.84	-34.09
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020286179	1	51	-1.0	-43.94	394.62	9.84	-34.10
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020286180	0	55	-1.0	-44.75	428.21	8.48	-36.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020286180	1	55	-1.0	-44.77	428.26	8.49	-36.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020286181	0	52	-1.0	-46.85	404.88	7.69	-39.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020286181	1	52	-1.0	-46.83	404.94	7.71	-39.12
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020286182	0	46	-1.0	-46.05	361.34	7.50	-38.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020286182	1	46	-1.0	-46.08	361.40	7.51	-38.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020286183	0	43	-1.0	-45.71	342.73	6.78	-38.93
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020286183	1	43	-1.0	-45.72	342.79	6.81	-38.91
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020286184	0	50	-1.0	-47.15	390.79	9.54	-37.61
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020286184	1	50	-1.0	-47.14	390.83	9.53	-37.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020286185	0	53	-1.0	-41.52	402.50	7.25	-34.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020286185	1	53	-1.0	-41.55	402.56	7.27	-34.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020286186	0	50	-1.0	-45.31	382.45	6.62	-38.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020286186	1	50	-1.0	-45.33	382.50	6.64	-38.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020286187	0	46	-1.0	-45.36	374.58	7.73	-37.63
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020286187	1	46	-1.0	-45.39	374.64	7.74	-37.65
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020286188	0	43	-1.0	-51.13	346.44	7.12	-44.01
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020286188	1	43	-1.0	-51.13	346.48	7.13	-44.00
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020286189	0	55	-1.0	-41.96	424.45	10.78	-31.18
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020286189	1	55	-1.0	-41.96	424.50	10.80	-31.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020286190	0	52	-1.0	-46.05	393.87	10.27	-35.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020286190	1	52	-1.0	-46.04	393.81	10.24	-35.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020286191	0	49	-1.0	-47.52	388.54	9.33	-38.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020286191	1	49	-1.0	-47.50	388.60	9.36	-38.14
COC(=O)N[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286192	0	50	-1.0	-42.25	396.14	4.37	-37.88
COC(=O)N[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286192	1	50	-1.0	-42.25	396.20	4.38	-37.87
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286193	0	47	-1.0	-44.44	378.37	3.48	-40.96
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286193	1	47	-1.0	-44.35	378.41	3.50	-40.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020286194	0	47	-1.0	-40.32	359.66	5.80	-34.52
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020286194	1	47	-1.0	-40.30	359.71	5.82	-34.48
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020286195	0	44	-1.0	-48.44	344.22	4.76	-43.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020286195	1	44	-1.0	-48.47	344.28	4.79	-43.68
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020286196	0	51	-1.0	-45.61	389.45	7.83	-37.78
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020286196	1	51	-1.0	-45.60	389.48	7.82	-37.78
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020286197	0	49	-1.0	-42.33	381.28	8.13	-34.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020286197	1	49	-1.0	-42.36	381.33	8.14	-34.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020286198	0	46	-1.0	-45.96	357.14	7.40	-38.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020286198	1	46	-1.0	-45.96	357.19	7.42	-38.54
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020286199	0	53	-1.0	-45.29	414.37	10.37	-34.92
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020286199	1	53	-1.0	-45.27	414.44	10.36	-34.91
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@@H]1CC	REAL300020286200	0	54	-1.0	-46.05	417.94	8.71	-37.34
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1CC	REAL300020286200	1	54	-1.0	-46.09	418.01	8.71	-37.38
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020286201	0	54	-1.0	-47.98	407.20	8.07	-39.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020286201	1	54	-1.0	-48.04	407.27	8.09	-39.95
COCCN(CC1=CC=C(C)C=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286202	0	58	-1.0	-41.28	440.51	8.64	-32.64
COCCN(CC1=CC=C(C)C=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286202	1	58	-1.0	-41.26	440.57	8.67	-32.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020286203	0	46	-1.0	-39.97	377.29	7.62	-32.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020286203	1	46	-1.0	-39.91	377.36	7.64	-32.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020286204	0	47	-1.0	-41.54	366.24	7.66	-33.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020286204	1	47	-1.0	-41.57	366.29	7.67	-33.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020286205	0	44	-1.0	-46.72	338.43	7.12	-39.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020286205	1	44	-1.0	-46.76	338.48	7.12	-39.64
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020286206	0	51	-1.0	-43.11	398.81	9.80	-33.31
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020286206	1	51	-1.0	-43.10	398.83	9.79	-33.31
CC1=NC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C2)=NO1	REAL300020286207	0	50	-1.0	-42.86	376.69	4.45	-38.41
CC1=NC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C2)=NO1	REAL300020286207	1	50	-1.0	-42.90	376.75	4.47	-38.43
CC1=NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)=NO1	REAL300020286208	0	47	-1.0	-47.16	378.16	4.51	-42.65
CC1=NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)=NO1	REAL300020286208	1	47	-1.0	-47.24	378.22	4.53	-42.71
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C[C@@H]21	REAL300020286209	0	55	-1.0	-44.66	416.80	9.36	-35.30
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C[C@@H]21	REAL300020286209	1	55	-1.0	-44.68	416.85	9.38	-35.30
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C[C@@H]21	REAL300020286210	0	52	-1.0	-50.91	397.96	8.56	-42.35
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C[C@@H]21	REAL300020286210	1	52	-1.0	-50.89	398.02	8.59	-42.30
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020286211	0	46	-1.0	-40.45	366.89	7.12	-33.33
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020286211	1	46	-1.0	-40.45	366.97	7.13	-33.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020286212	0	43	-1.0	-42.43	350.53	6.43	-36.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020286212	1	43	-1.0	-42.40	350.59	6.46	-35.94
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020286213	0	54	-1.0	-45.65	436.45	8.27	-37.38
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020286213	1	54	-1.0	-45.69	436.50	8.28	-37.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020286214	0	51	-1.0	-46.68	414.29	7.50	-39.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020286214	1	51	-1.0	-46.69	414.34	7.52	-39.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020286215	0	58	-1.0	-44.52	446.91	11.80	-32.72
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020286215	1	58	-1.0	-44.57	446.96	11.81	-32.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020286216	0	58	-1.0	-42.72	425.74	9.63	-33.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020286216	1	58	-1.0	-42.75	425.79	9.64	-33.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020286217	0	48	-1.0	-42.52	371.56	7.48	-35.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020286217	1	48	-1.0	-42.45	371.62	7.49	-34.96
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020286218	0	45	-1.0	-52.70	339.03	6.74	-45.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020286218	1	45	-1.0	-52.71	339.05	6.75	-45.96
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020286219	0	54	-1.0	-47.10	419.90	5.43	-41.67
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020286219	1	54	-1.0	-47.13	419.95	5.45	-41.68
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020286220	0	51	-1.0	-43.80	407.38	5.63	-38.17
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020286220	1	51	-1.0	-43.82	407.44	5.65	-38.17
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286221	0	49	-1.0	-39.68	381.15	6.18	-33.50
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286221	1	49	-1.0	-39.66	381.21	6.20	-33.46
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286222	0	46	-1.0	-44.92	354.61	5.76	-39.16
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286222	1	46	-1.0	-44.93	354.65	5.76	-39.17
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020286223	0	53	-1.0	-41.68	417.83	8.36	-33.32
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020286223	1	53	-1.0	-41.66	417.87	8.35	-33.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020286224	0	56	-1.0	-40.14	437.64	9.61	-30.53
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020286224	1	56	-1.0	-40.13	437.69	9.62	-30.51
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020286225	0	53	-1.0	-41.93	415.99	8.86	-33.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020286225	1	53	-1.0	-41.93	416.05	8.88	-33.05
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020286226	0	48	-1.0	-42.57	376.26	5.18	-37.39
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020286226	1	48	-1.0	-42.58	376.32	5.19	-37.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020286227	0	45	-1.0	-49.64	352.21	5.14	-44.50
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020286227	1	45	-1.0	-49.60	352.01	5.12	-44.48
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020286228	0	52	-1.0	-42.25	405.26	9.83	-32.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020286228	1	52	-1.0	-42.27	405.29	9.85	-32.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020286229	0	49	-1.0	-46.91	375.71	8.61	-38.30
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020286229	1	49	-1.0	-46.98	375.53	8.60	-38.38
COCCN(CC1=CC=C(C)C(C)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286230	0	58	-1.0	-45.36	433.24	8.28	-37.08
COCCN(CC1=CC=C(C)C(C)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286230	1	58	-1.0	-45.34	433.28	8.31	-37.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020286231	0	54	-1.0	-49.67	413.67	5.22	-44.45
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020286231	1	54	-1.0	-49.66	413.73	5.24	-44.42
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@H]1C	REAL300020286232	0	54	-1.0	-49.53	400.30	7.17	-42.36
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@H]1C	REAL300020286232	1	54	-1.0	-49.54	400.36	7.19	-42.35
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@H]1C	REAL300020286233	0	51	-1.0	-50.86	393.45	7.13	-43.73
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@H]1C	REAL300020286233	1	51	-1.0	-50.86	393.51	7.15	-43.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020286234	0	56	-1.0	-41.76	432.51	8.24	-33.52
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020286234	1	56	-1.0	-41.72	432.57	8.26	-33.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020286235	0	53	-1.0	-43.04	410.99	7.45	-35.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020286235	1	53	-1.0	-43.08	411.04	7.47	-35.61
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286236	0	61	0.0	-66.72	430.36	9.40	-57.32
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286236	1	61	0.0	-66.73	430.42	9.42	-57.31
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286237	0	58	0.0	-70.76	394.73	8.35	-62.41
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286237	1	58	0.0	-70.81	394.75	8.35	-62.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020286238	0	54	-1.0	-51.53	412.95	5.36	-46.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020286238	1	54	-1.0	-51.53	412.99	5.39	-46.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020286239	0	54	-1.0	-40.89	394.38	8.69	-32.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020286239	1	54	-1.0	-40.91	394.40	8.69	-32.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020286240	0	51	-1.0	-42.57	385.14	7.82	-34.75
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020286240	1	51	-1.0	-42.60	385.20	7.83	-34.77
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020286241	0	58	-1.0	-42.00	435.63	10.89	-31.11
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020286241	1	58	-1.0	-41.93	435.67	10.88	-31.05
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020286242	0	57	-1.0	-41.93	445.31	9.41	-32.52
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020286242	1	57	-1.0	-41.91	445.37	9.42	-32.49
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020286243	0	54	-1.0	-45.41	423.09	9.01	-36.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020286243	1	54	-1.0	-45.40	423.14	9.03	-36.37
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020286244	0	55	-1.0	-45.58	431.97	8.63	-36.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020286244	1	55	-1.0	-45.61	432.03	8.65	-36.96
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020286245	0	52	-1.0	-46.92	409.67	7.72	-39.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020286245	1	52	-1.0	-46.90	409.73	7.74	-39.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020286246	0	51	-1.0	-43.02	415.43	7.86	-35.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020286246	1	51	-1.0	-43.01	415.48	7.88	-35.13
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020286247	0	57	-1.0	-45.30	439.02	2.25	-43.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020286247	1	57	-1.0	-45.33	439.08	2.27	-43.06
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020286248	0	54	-1.0	-48.47	420.93	1.57	-46.90
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020286248	1	54	-1.0	-48.42	420.99	1.60	-46.82
C=CCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286249	0	53	-1.0	-41.92	410.59	5.98	-35.94
C=CCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286249	1	53	-1.0	-41.90	410.65	5.99	-35.91
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286250	0	50	-1.0	-46.05	385.79	5.44	-40.61
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286250	1	50	-1.0	-46.05	385.85	5.45	-40.60
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCF	REAL300020286251	0	44	-1.0	-41.37	344.24	6.85	-34.52
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCF	REAL300020286251	1	44	-1.0	-41.41	344.30	6.87	-34.54
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCF	REAL300020286252	0	48	-1.0	-41.95	382.87	8.98	-32.97
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCF	REAL300020286252	1	48	-1.0	-41.90	382.90	8.98	-32.92
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020286253	0	55	-1.0	-39.91	428.39	10.79	-29.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020286253	1	55	-1.0	-39.95	428.45	10.81	-29.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020286254	0	52	-1.0	-40.92	403.66	9.03	-31.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020286254	1	52	-1.0	-40.92	403.72	9.05	-31.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020286255	0	52	-1.0	-46.16	404.71	9.78	-36.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020286255	1	52	-1.0	-46.19	404.66	9.77	-36.42
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020286256	0	49	-1.0	-48.06	383.60	9.02	-39.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020286256	1	49	-1.0	-48.01	383.53	9.00	-39.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020286257	0	49	-1.0	-39.16	397.04	6.67	-32.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020286257	1	49	-1.0	-39.14	397.10	6.68	-32.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020286258	0	46	-1.0	-41.74	374.82	6.25	-35.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020286258	1	46	-1.0	-41.77	374.88	6.27	-35.50
CC1=NC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=NO1	REAL300020286259	0	53	-1.0	-49.78	413.48	6.48	-43.30
CC1=NC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=NO1	REAL300020286259	1	53	-1.0	-49.75	413.52	6.49	-43.26
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020286260	0	58	-1.0	-40.02	425.15	9.72	-30.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020286260	1	58	-1.0	-40.03	425.20	9.73	-30.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020286261	0	55	-1.0	-45.81	411.44	10.03	-35.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020286261	1	55	-1.0	-45.77	411.49	10.04	-35.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020286262	0	57	-1.0	-46.19	445.10	8.94	-37.25
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020286262	1	57	-1.0	-46.24	445.16	8.95	-37.29
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020286263	0	54	-1.0	-48.57	415.46	6.92	-41.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020286263	1	54	-1.0	-48.56	415.52	6.95	-41.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020286264	0	55	-1.0	-41.34	434.53	11.14	-30.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020286264	1	55	-1.0	-41.31	434.59	11.16	-30.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020286265	0	52	-1.0	-43.33	415.70	10.40	-32.93
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020286265	1	52	-1.0	-43.31	415.76	10.42	-32.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020286266	0	59	-1.0	-42.63	416.23	7.49	-35.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020286266	1	59	-1.0	-42.63	416.29	7.52	-35.11
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020286267	0	56	-1.0	-43.11	417.45	7.73	-35.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020286267	1	56	-1.0	-43.14	417.51	7.76	-35.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020286268	0	50	-1.0	-46.00	405.92	1.13	-44.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020286268	1	50	-1.0	-46.00	405.98	1.15	-44.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020286269	0	47	-1.0	-45.66	381.58	0.34	-45.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020286269	1	47	-1.0	-45.66	381.64	0.36	-45.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020286270	0	47	-1.0	-54.75	378.52	3.56	-51.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020286270	1	47	-1.0	-54.83	378.70	3.57	-51.26
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020286271	0	49	-1.0	-42.85	385.70	8.36	-34.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020286271	1	49	-1.0	-42.87	385.75	8.38	-34.49
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020286272	0	46	-1.0	-44.17	364.21	7.58	-36.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020286272	1	46	-1.0	-44.20	364.26	7.60	-36.60
CC1=CSC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)=N1	REAL300020286273	0	51	-1.0	-44.06	409.33	7.66	-36.40
CC1=CSC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)=N1	REAL300020286273	1	51	-1.0	-44.08	409.38	7.69	-36.39
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020286274	0	48	-1.0	-44.56	378.41	6.14	-38.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020286274	1	48	-1.0	-44.56	378.47	6.15	-38.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020286275	0	45	-1.0	-51.03	359.19	5.13	-45.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020286275	1	45	-1.0	-51.01	359.13	5.13	-45.88
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCCC2=CC=CC=C21	REAL300020286276	0	54	-1.0	-43.36	425.30	10.99	-32.37
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CCCC2=CC=CC=C21	REAL300020286276	1	54	-1.0	-43.37	425.24	10.97	-32.40
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)O1	REAL300020286277	0	51	-1.0	-41.25	425.23	7.82	-33.43
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)O1	REAL300020286277	1	51	-1.0	-41.25	425.29	7.84	-33.41
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)O1	REAL300020286278	0	48	-1.0	-45.86	394.92	7.38	-38.48
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)O1	REAL300020286278	1	48	-1.0	-45.85	395.00	7.40	-38.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020286279	0	49	-1.0	-46.78	387.19	9.11	-37.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020286279	1	49	-1.0	-46.79	387.13	9.10	-37.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020286280	0	46	-1.0	-48.43	369.34	8.27	-40.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020286280	1	46	-1.0	-48.44	369.29	8.25	-40.19
COC1(C(F)(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286281	0	46	-1.0	-39.14	377.28	4.90	-34.24
COC1(C(F)(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286281	1	46	-1.0	-39.12	377.34	4.91	-34.21
COC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286282	0	43	-1.0	-41.36	359.72	4.08	-37.28
COC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286282	1	43	-1.0	-41.36	359.78	4.10	-37.26
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020286283	0	55	-1.0	-42.73	412.45	8.32	-34.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020286283	1	55	-1.0	-42.71	412.40	8.30	-34.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020286284	0	52	-1.0	-47.34	383.47	7.61	-39.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020286284	1	52	-1.0	-47.34	383.41	7.58	-39.76
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020286285	0	52	-1.0	-39.51	381.33	9.74	-29.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020286285	1	52	-1.0	-39.48	381.39	9.75	-29.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020286286	0	49	-1.0	-46.21	344.35	9.87	-36.34
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020286286	1	49	-1.0	-46.27	344.40	9.88	-36.39
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020286287	0	56	-1.0	-41.37	406.74	12.31	-29.06
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020286287	1	56	-1.0	-41.36	406.78	12.30	-29.06
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020286288	0	55	0.0	-68.64	399.82	8.36	-60.28
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020286288	1	55	0.0	-68.50	407.68	8.86	-59.64
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020286288	1	55	0.0	-68.72	399.87	8.38	-60.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020286288	1	55	0.0	-68.49	407.73	8.87	-59.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020286289	0	52	0.0	-67.52	362.81	7.20	-60.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020286289	1	52	0.0	-63.67	392.85	7.06	-56.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020286289	1	52	0.0	-67.50	362.86	7.19	-60.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020286289	1	52	0.0	-63.67	392.90	7.09	-56.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020286290	0	53	-1.0	-48.10	380.85	3.49	-44.61
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020286290	1	53	-1.0	-48.11	380.90	3.52	-44.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020286291	0	50	-1.0	-47.55	364.24	2.79	-44.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020286291	1	50	-1.0	-47.57	364.30	2.81	-44.76
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286292	0	54	-1.0	-39.85	412.68	9.94	-29.91
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286292	1	54	-1.0	-39.88	412.74	9.95	-29.93
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286293	0	51	-1.0	-43.68	383.27	9.23	-34.45
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286293	1	51	-1.0	-43.71	383.21	9.21	-34.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020286294	0	54	-1.0	-45.65	436.45	8.27	-37.38
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020286294	1	54	-1.0	-45.69	436.50	8.28	-37.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020286295	0	51	-1.0	-46.68	414.29	7.50	-39.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020286295	1	51	-1.0	-46.69	414.34	7.52	-39.17
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020286296	0	46	-1.0	-41.88	397.62	8.30	-33.58
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020286296	1	46	-1.0	-41.89	397.68	8.31	-33.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020286297	0	43	-1.0	-42.65	371.14	7.45	-35.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020286297	1	43	-1.0	-42.72	371.19	7.47	-35.25
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020286298	0	54	-1.0	-49.41	413.14	2.82	-46.59
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020286298	1	54	-1.0	-49.42	413.20	2.84	-46.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020286299	0	51	-1.0	-49.10	396.26	1.59	-47.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020286299	1	51	-1.0	-49.16	396.31	1.62	-47.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020286300	0	46	-1.0	-41.03	350.01	7.58	-33.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020286300	1	46	-1.0	-41.02	350.06	7.59	-33.43
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020286301	0	43	-1.0	-44.31	325.87	6.71	-37.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020286301	1	43	-1.0	-44.32	325.81	6.68	-37.64
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020286302	0	50	-1.0	-42.85	380.72	9.63	-33.22
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020286302	1	50	-1.0	-42.83	380.75	9.61	-33.22
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020286303	0	53	-1.0	-55.47	416.94	2.69	-52.78
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020286303	1	53	-1.0	-55.51	416.99	2.71	-52.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020286304	0	50	-1.0	-55.11	404.90	1.78	-53.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020286304	1	50	-1.0	-55.15	404.96	1.81	-53.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020286305	0	54	-1.0	-40.26	401.70	9.04	-31.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020286305	1	54	-1.0	-40.28	401.76	9.05	-31.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020286306	0	51	-1.0	-44.53	377.73	8.41	-36.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020286306	1	51	-1.0	-44.50	377.78	8.43	-36.07
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020286307	0	56	-1.0	-42.22	397.31	9.19	-33.03
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020286307	1	56	-1.0	-42.22	397.37	9.21	-33.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020286308	0	53	-1.0	-46.78	373.37	8.65	-38.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020286308	1	53	-1.0	-46.84	373.42	8.66	-38.18
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020286309	0	49	-1.0	-48.40	390.80	3.87	-44.53
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020286309	1	49	-1.0	-48.44	390.86	3.89	-44.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020286310	0	46	-1.0	-50.31	369.70	3.08	-47.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020286310	1	46	-1.0	-50.27	369.76	3.11	-47.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020286311	0	56	-1.0	-42.65	440.00	11.36	-31.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020286311	1	56	-1.0	-42.62	440.06	11.38	-31.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020286312	0	53	-1.0	-43.91	406.20	9.81	-34.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020286312	1	53	-1.0	-43.90	406.25	9.83	-34.07
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020286313	0	51	-1.0	-45.36	386.82	5.92	-39.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020286313	1	51	-1.0	-45.34	386.87	5.93	-39.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020286314	0	48	-1.0	-45.93	373.97	5.20	-40.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020286314	1	48	-1.0	-45.94	374.02	5.22	-40.72
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020286315	0	48	-1.0	-50.20	375.95	4.67	-45.53
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020286315	1	48	-1.0	-50.18	376.01	4.68	-45.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020286316	0	45	-1.0	-48.51	351.85	5.17	-43.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020286316	1	45	-1.0	-48.49	351.80	5.17	-43.32
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286317	0	51	-1.0	-45.09	395.45	7.69	-37.40
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286317	1	51	-1.0	-45.06	395.51	7.70	-37.36
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286318	0	48	-1.0	-43.95	381.96	7.10	-36.85
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286318	1	48	-1.0	-43.98	382.03	7.11	-36.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020286319	0	51	-1.0	-53.55	394.78	4.37	-49.18
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020286319	1	51	-1.0	-53.53	394.84	4.38	-49.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020286320	0	48	-1.0	-55.12	379.91	3.25	-51.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020286320	1	48	-1.0	-55.12	379.96	3.27	-51.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020286321	0	54	-1.0	-55.15	415.50	5.35	-49.80
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020286321	1	54	-1.0	-55.17	415.56	5.36	-49.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020286322	0	51	-1.0	-56.12	389.29	4.35	-51.77
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020286322	1	51	-1.0	-56.08	389.36	4.38	-51.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020286323	0	54	-1.0	-49.83	412.61	6.08	-43.75
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020286323	1	54	-1.0	-49.86	412.65	6.10	-43.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020286324	0	51	-1.0	-50.34	391.01	4.77	-45.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020286324	1	51	-1.0	-50.38	391.07	4.79	-45.59
CC(C)CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286325	0	58	-1.0	-50.29	441.64	7.26	-43.03
CC(C)CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286325	1	58	-1.0	-50.37	441.69	7.26	-43.11
CCS(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286326	0	53	-1.0	-45.22	421.73	4.65	-40.57
CCS(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286326	1	53	-1.0	-45.18	421.79	4.66	-40.52
CCS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286327	0	50	-1.0	-45.98	405.48	3.71	-42.27
CCS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286327	1	50	-1.0	-45.94	405.54	3.74	-42.20
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020286328	0	50	-1.0	-48.56	379.68	3.36	-45.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020286328	1	50	-1.0	-48.56	379.73	3.37	-45.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020286329	0	47	-1.0	-51.13	363.47	2.60	-48.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020286329	1	47	-1.0	-51.14	363.41	2.58	-48.56
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020286330	0	50	-1.0	-48.46	398.77	1.91	-46.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020286330	1	50	-1.0	-48.48	398.82	1.93	-46.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020286331	0	47	-1.0	-52.81	375.89	1.55	-51.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020286331	1	47	-1.0	-52.85	375.95	1.56	-51.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020286332	0	46	-1.0	-46.86	378.59	7.06	-39.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020286332	1	46	-1.0	-46.87	378.53	7.05	-39.82
CSCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286333	0	52	-1.0	-40.97	408.78	9.08	-31.89
CSCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286333	1	52	-1.0	-40.94	408.83	9.09	-31.85
CSCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286334	0	49	-1.0	-43.46	387.26	8.28	-35.18
CSCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286334	1	49	-1.0	-43.47	387.32	8.31	-35.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020286335	0	47	-1.0	-57.00	377.42	3.43	-53.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020286335	1	47	-1.0	-57.05	377.46	3.44	-53.61
CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286336	0	49	-1.0	-42.61	374.97	6.01	-36.60
CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286336	1	49	-1.0	-42.62	375.03	6.02	-36.60
CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286337	0	46	-1.0	-45.49	362.76	5.41	-40.08
CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286337	1	46	-1.0	-45.49	362.81	5.43	-40.06
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020286338	0	53	-1.0	-42.89	393.43	7.36	-35.53
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020286338	1	53	-1.0	-42.86	393.46	7.35	-35.51
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020286339	0	46	-1.0	-44.95	378.02	6.69	-38.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020286339	1	46	-1.0	-45.01	378.08	6.70	-38.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020286340	0	53	-1.0	-43.49	397.82	7.47	-36.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020286340	1	53	-1.0	-43.50	397.88	7.49	-36.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020286341	0	50	-1.0	-50.56	391.51	6.95	-43.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020286341	1	50	-1.0	-50.55	391.57	6.97	-43.58
CCN(CCC(=O)NC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286342	0	51	-1.0	-50.55	402.50	4.04	-46.51
CCN(CCC(=O)NC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286342	1	51	-1.0	-50.54	402.58	4.05	-46.49
CCN(CCC(=O)NC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286343	0	48	-1.0	-58.23	369.76	3.65	-54.58
CCN(CCC(=O)NC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286343	1	48	-1.0	-58.18	369.53	3.66	-54.52
CCN(CCC(=O)NC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020286344	0	55	-1.0	-52.88	422.40	6.11	-46.77
CCN(CCC(=O)NC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020286344	1	55	-1.0	-52.83	422.45	6.10	-46.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020286345	0	58	-1.0	-41.42	429.79	7.84	-33.58
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020286345	1	58	-1.0	-41.40	429.84	7.85	-33.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020286346	0	55	-1.0	-41.47	430.64	7.95	-33.52
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020286346	1	55	-1.0	-41.49	430.71	7.98	-33.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020286347	0	52	-1.0	-42.16	403.32	9.07	-33.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020286347	1	52	-1.0	-42.17	403.38	9.09	-33.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020286348	0	49	-1.0	-44.14	382.21	8.57	-35.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020286348	1	49	-1.0	-44.14	382.26	8.60	-35.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020286349	0	46	-1.0	-41.98	375.06	7.28	-34.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020286349	1	46	-1.0	-42.01	375.12	7.30	-34.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020286350	0	43	-1.0	-43.07	349.72	7.26	-35.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020286350	1	43	-1.0	-43.05	349.67	7.24	-35.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020286351	0	58	-1.0	-47.06	436.25	11.33	-35.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020286351	1	58	-1.0	-47.06	436.30	11.33	-35.73
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020286352	0	56	-1.0	-43.65	410.81	8.16	-35.49
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COC1=CC=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)C=C1	REAL300020286387	1	56	-1.0	-44.40	429.24	9.26	-35.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020286388	0	49	-1.0	-42.50	366.28	8.54	-33.96
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020286388	1	49	-1.0	-42.49	366.34	8.55	-33.94
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020286389	0	46	-1.0	-47.91	340.88	7.91	-40.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020286389	1	46	-1.0	-47.93	340.97	7.89	-40.04
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020286390	0	53	-1.0	-42.79	398.16	10.27	-32.52
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CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020286396	1	51	-1.0	-44.02	406.49	6.50	-37.52
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020286397	0	48	-1.0	-52.96	373.65	6.03	-46.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020286397	1	48	-1.0	-52.95	373.55	6.01	-46.94
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CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020286412	0	50	-1.0	-44.01	395.46	8.15	-35.86
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COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2=C1	REAL300020286416	1	47	-1.0	-52.06	365.91	9.42	-42.64
CC[N@@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1(C)C	REAL300020286417	0	57	0.0	-68.71	391.05	7.90	-60.81
CC[N@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1(C)C	REAL300020286417	1	57	0.0	-63.07	412.77	8.66	-54.41
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1(C)C	REAL300020286417	1	57	0.0	-68.70	391.11	7.92	-60.78
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1(C)C	REAL300020286417	1	57	0.0	-63.10	412.83	8.67	-54.43
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1(C)C	REAL300020286418	0	54	0.0	-59.26	395.87	7.93	-51.33
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1(C)C	REAL300020286418	1	54	0.0	-58.98	390.46	8.13	-50.85
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1(C)C	REAL300020286418	1	54	0.0	-59.24	395.93	7.95	-51.29
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1(C)C	REAL300020286418	1	54	0.0	-59.00	390.54	8.15	-50.85
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CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020286420	0	53	-1.0	-49.38	407.38	9.22	-40.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020286420	1	53	-1.0	-49.34	407.43	9.24	-40.10
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020286421	0	46	-1.0	-41.03	339.23	6.61	-34.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020286421	1	46	-1.0	-41.03	339.28	6.62	-34.41
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CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020286424	0	55	-1.0	-43.39	430.34	10.68	-32.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020286424	1	55	-1.0	-43.40	430.39	10.69	-32.71
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020286425	0	52	-1.0	-46.36	408.90	9.90	-36.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020286425	1	52	-1.0	-46.38	408.95	9.92	-36.46
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020286426	0	55	-1.0	-39.89	401.86	9.57	-30.32
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020286426	1	55	-1.0	-39.90	401.92	9.59	-30.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020286427	0	52	-1.0	-42.26	385.20	8.57	-33.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020286427	1	52	-1.0	-42.25	385.25	8.60	-33.65
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020286428	0	49	-1.0	-45.66	384.59	6.46	-39.20
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020286428	1	49	-1.0	-45.64	384.64	6.49	-39.15
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020286429	0	46	-1.0	-46.14	358.64	6.28	-39.86
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020286429	1	46	-1.0	-46.14	358.59	6.28	-39.86
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CCOCC1	REAL300020286430	0	54	-1.0	-40.78	412.62	7.78	-33.00
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CCOCC1	REAL300020286430	1	54	-1.0	-40.78	412.68	7.79	-32.99
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CCOCC1	REAL300020286431	0	51	-1.0	-42.90	393.25	6.18	-36.72
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCOCC1	REAL300020286431	1	51	-1.0	-42.91	393.32	6.22	-36.69
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CCCC1	REAL300020286432	0	53	-1.0	-41.57	402.94	8.43	-33.14
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CCCC1	REAL300020286432	1	53	-1.0	-41.55	403.00	8.45	-33.10
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C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCCC1	REAL300020286433	1	50	-1.0	-43.92	388.22	7.79	-36.13
CC1=CC=NC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2)=N1	REAL300020286434	0	56	-1.0	-43.19	438.37	8.69	-34.50
CC1=CC=NC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2)=N1	REAL300020286434	1	56	-1.0	-43.22	438.42	8.71	-34.51
CC1=CC=NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=N1	REAL300020286435	0	53	-1.0	-45.25	415.04	7.90	-37.35
CC1=CC=NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=N1	REAL300020286435	1	53	-1.0	-45.25	415.10	7.93	-37.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020286436	0	46	-1.0	-41.23	377.57	8.96	-32.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020286436	1	46	-1.0	-41.22	377.63	8.98	-32.24
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020286437	0	43	-1.0	-45.76	353.09	8.22	-37.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020286437	1	43	-1.0	-45.79	353.02	8.22	-37.57
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020286438	0	49	-1.0	-51.27	386.41	4.22	-47.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020286438	1	49	-1.0	-51.25	386.47	4.23	-47.02
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020286439	0	46	-1.0	-55.58	359.70	3.67	-51.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020286439	1	46	-1.0	-55.55	359.76	3.68	-51.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020286440	0	49	-1.0	-41.72	380.12	8.29	-33.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020286440	1	49	-1.0	-41.68	380.18	8.31	-33.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020286441	0	46	-1.0	-44.45	359.44	7.34	-37.11
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020286441	1	46	-1.0	-44.47	359.51	7.36	-37.11
C=CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286442	0	51	-1.0	-40.01	398.83	7.85	-32.16
C=CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286442	1	51	-1.0	-40.04	398.89	7.86	-32.18
C=CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286443	0	48	-1.0	-43.41	368.21	6.89	-36.52
C=CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286443	1	48	-1.0	-43.37	368.15	6.87	-36.50
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CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020286445	0	50	-1.0	-41.49	382.71	8.12	-33.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020286445	1	50	-1.0	-41.50	382.76	8.13	-33.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020286446	0	47	-1.0	-46.75	359.61	7.48	-39.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020286446	1	47	-1.0	-46.93	358.20	7.57	-39.36
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CC1=CC=C(C)C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=C1	REAL300020286447	1	58	-1.0	-42.19	438.75	11.23	-30.96
CC1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=CC(C)=C1	REAL300020286448	0	58	-1.0	-42.27	443.49	11.29	-30.98
CC1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=CC(C)=C1	REAL300020286448	1	58	-1.0	-42.22	443.55	11.32	-30.90
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CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020286464	1	59	-1.0	-42.69	417.37	7.64	-35.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020286465	0	56	-1.0	-47.58	393.89	7.05	-40.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020286465	1	56	-1.0	-47.62	393.95	7.06	-40.56
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020286466	0	54	-1.0	-40.33	422.93	5.72	-34.61
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020286466	1	54	-1.0	-40.31	422.99	5.74	-34.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020286467	0	51	-1.0	-42.16	396.21	5.10	-37.06
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CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020286486	0	51	-1.0	-45.10	398.10	1.61	-43.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020286486	1	51	-1.0	-45.05	398.16	1.63	-43.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020286487	0	48	-1.0	-47.74	379.43	0.97	-46.77
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020286487	1	48	-1.0	-47.77	379.49	0.99	-46.78
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CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020286488	1	51	-1.0	-40.20	382.09	6.47	-33.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020286489	0	48	-1.0	-42.63	367.87	5.67	-36.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020286489	1	48	-1.0	-42.62	367.93	5.71	-36.91
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C=CCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286490	1	48	-1.0	-40.62	377.06	8.00	-32.62
C=CCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286491	0	45	-1.0	-41.78	360.63	7.06	-34.72
C=CCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286491	1	45	-1.0	-41.77	360.57	7.03	-34.74
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020286492	0	52	-1.0	-41.67	413.92	9.86	-31.81
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020286492	1	52	-1.0	-41.74	413.93	9.85	-31.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020286493	0	58	0.0	-68.78	429.55	10.79	-57.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020286493	1	58	0.0	-63.64	441.49	10.26	-53.38
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020286493	1	57	-1.0	-47.08	404.97	6.99	-40.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020286493	1	57	-1.0	-47.11	405.02	6.99	-40.12
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020286494	0	46	-1.0	-41.12	380.51	5.85	-35.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020286494	1	46	-1.0	-41.12	380.56	5.87	-35.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020286495	0	43	-1.0	-42.44	356.16	5.25	-37.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020286495	1	43	-1.0	-42.47	356.22	5.27	-37.20
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020286496	0	46	-1.0	-41.80	382.80	5.89	-35.91
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020286496	1	46	-1.0	-41.83	382.86	5.90	-35.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020286497	0	43	-1.0	-47.46	347.75	5.39	-42.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020286497	1	43	-1.0	-47.49	347.80	5.39	-42.10
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020286498	0	48	-1.0	-43.44	393.67	6.46	-36.98
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020286498	1	48	-1.0	-43.41	393.73	6.47	-36.94
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020286499	0	45	-1.0	-44.98	368.39	5.71	-39.27
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020286499	1	45	-1.0	-44.96	368.33	5.68	-39.28
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020286500	0	52	-1.0	-44.45	416.34	8.87	-35.58
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020286500	1	52	-1.0	-44.48	416.41	8.85	-35.63
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020286501	0	49	-1.0	-44.45	379.74	5.78	-38.67
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020286501	1	49	-1.0	-44.49	379.80	5.79	-38.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020286502	0	46	-1.0	-48.17	350.88	5.14	-43.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020286502	1	46	-1.0	-48.16	350.94	5.17	-42.99
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020286503	0	53	-1.0	-40.55	426.88	9.50	-31.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020286503	1	53	-1.0	-40.59	426.94	9.51	-31.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020286504	0	50	-1.0	-44.12	399.11	8.56	-35.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020286504	1	50	-1.0	-44.18	399.16	8.58	-35.60
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020286505	0	50	-1.0	-44.59	400.57	9.24	-35.35
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020286505	1	50	-1.0	-44.59	400.62	9.25	-35.34
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020286506	0	47	-1.0	-45.34	379.37	8.48	-36.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020286506	1	47	-1.0	-45.31	379.32	8.46	-36.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020286507	0	51	-1.0	-49.54	376.49	7.98	-41.56
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020286507	1	51	-1.0	-49.51	376.55	8.00	-41.51
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020286508	0	48	-1.0	-57.22	354.21	7.42	-49.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020286508	1	48	-1.0	-57.22	354.29	7.44	-49.78
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020286509	0	49	-1.0	-40.93	371.77	5.81	-35.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020286509	1	49	-1.0	-40.92	371.82	5.83	-35.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020286510	0	46	-1.0	-42.11	352.74	4.36	-37.75
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020286510	1	46	-1.0	-42.07	352.80	4.37	-37.70
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOCC1	REAL300020286511	0	53	-1.0	-42.56	401.37	7.72	-34.84
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOCC1	REAL300020286511	1	53	-1.0	-42.56	401.40	7.71	-34.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020286512	0	51	-1.0	-42.67	389.87	5.20	-37.47
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020286512	1	51	-1.0	-42.67	389.93	5.22	-37.45
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020286513	0	48	-1.0	-44.85	367.65	4.54	-40.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020286513	1	48	-1.0	-44.88	367.71	4.57	-40.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CCC1C	REAL300020286514	0	48	-1.0	-39.78	383.09	6.90	-32.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CCC1C	REAL300020286514	1	48	-1.0	-39.85	383.14	6.92	-32.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CCC1C	REAL300020286515	0	45	-1.0	-42.26	349.84	7.11	-35.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CCC1C	REAL300020286515	1	45	-1.0	-42.31	349.89	7.12	-35.19
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020286516	0	50	-1.0	-43.86	377.44	6.47	-37.39
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020286516	1	50	-1.0	-43.87	377.50	6.48	-37.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020286517	0	47	-1.0	-49.91	350.52	5.90	-44.01
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020286517	1	47	-1.0	-49.86	350.55	5.92	-43.94
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCO2)C1	REAL300020286518	0	54	-1.0	-45.08	415.16	8.72	-36.36
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCO2)C1	REAL300020286518	1	54	-1.0	-45.02	415.29	8.71	-36.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020286519	0	52	-1.0	-51.61	406.07	4.91	-46.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020286519	1	52	-1.0	-51.63	406.12	4.92	-46.71
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020286520	0	49	-1.0	-53.71	371.20	4.04	-49.67
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCCS(=O)(=O)[C@H]2C1	REAL300020286520	1	49	-1.0	-53.76	371.24	4.05	-49.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020286521	0	55	-1.0	-40.18	415.45	10.64	-29.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020286521	1	55	-1.0	-40.19	415.50	10.65	-29.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020286522	0	52	-1.0	-42.79	396.52	9.27	-33.52
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020286522	1	52	-1.0	-42.77	396.51	9.25	-33.52
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020286523	0	61	0.0	-68.69	438.45	9.78	-58.91
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020286523	1	61	0.0	-68.70	438.52	9.80	-58.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020286524	0	58	0.0	-73.02	414.51	9.20	-63.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC([NH+](C)C)CC2C1	REAL300020286524	1	58	0.0	-72.99	414.58	9.22	-63.77
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1C(=O)OC	REAL300020286525	0	51	-1.0	-55.58	414.27	7.00	-48.58
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1C(=O)OC	REAL300020286525	1	51	-1.0	-55.57	414.32	7.02	-48.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020286526	0	55	-1.0	-43.26	414.24	11.22	-32.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020286526	1	55	-1.0	-43.21	414.30	11.24	-31.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020286527	0	52	-1.0	-44.58	392.00	9.77	-34.81
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020286527	1	52	-1.0	-44.60	392.05	9.79	-34.81
CCC1=NN(C)C(CC)=C1NC1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286528	0	54	-1.0	-46.29	428.47	8.89	-37.40
CCC1=NN(C)C(CC)=C1NC1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286528	1	54	-1.0	-46.26	428.52	8.90	-37.36
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286529	0	51	-1.0	-47.80	406.76	8.21	-39.59
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286529	1	51	-1.0	-47.79	406.71	8.17	-39.62
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020286530	0	52	-1.0	-41.77	364.25	5.38	-36.39
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020286530	1	52	-1.0	-41.72	364.31	5.40	-36.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020286531	0	49	-1.0	-46.78	342.07	5.32	-41.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020286531	1	49	-1.0	-46.79	342.13	5.34	-41.45
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020286532	0	56	-1.0	-42.30	405.08	9.27	-33.03
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020286532	1	56	-1.0	-42.24	405.06	9.25	-32.99
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020286533	0	50	-1.0	-43.98	357.29	5.20	-38.78
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020286533	1	50	-1.0	-43.97	357.35	5.21	-38.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020286534	0	47	-1.0	-49.80	337.11	4.71	-45.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020286534	1	47	-1.0	-49.76	337.15	4.73	-45.03
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020286535	0	54	-1.0	-43.36	406.73	8.28	-35.08
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020286535	1	54	-1.0	-43.41	406.77	8.27	-35.14
C=CCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286536	0	51	-1.0	-39.74	401.24	8.56	-31.18
C=CCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286536	1	51	-1.0	-39.75	401.30	8.57	-31.18
C=CCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286537	0	48	-1.0	-41.83	377.66	8.13	-33.70
C=CCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286537	1	48	-1.0	-41.86	377.72	8.15	-33.71
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020286538	0	55	-1.0	-42.30	425.58	10.85	-31.45
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020286538	1	55	-1.0	-42.29	425.62	10.84	-31.45
CC1=CC(C)=CC(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020286539	0	58	-1.0	-41.52	457.19	9.70	-31.82
CC1=CC(C)=CC(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020286539	1	58	-1.0	-41.52	457.25	9.71	-31.81
CC1=CC(C)=CC(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020286540	0	55	-1.0	-43.79	438.69	9.02	-34.77
CC1=CC(C)=CC(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020286540	1	55	-1.0	-43.83	438.76	9.04	-34.79
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC[N@H+](CC)CC1	REAL300020286541	0	62	0.0	-59.34	431.76	6.78	-52.56
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC[N@@H+](CC)CC1	REAL300020286541	1	62	0.0	-67.30	399.44	9.37	-57.93
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC[N@H+](CC)CC1	REAL300020286541	1	62	0.0	-59.35	431.82	6.80	-52.55
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC[N@@H+](CC)CC1	REAL300020286541	1	62	0.0	-67.30	399.50	9.37	-57.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020286542	0	45	-1.0	-42.13	360.59	7.43	-34.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020286542	1	45	-1.0	-42.17	360.65	7.45	-34.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020286543	0	42	-1.0	-41.97	342.72	6.50	-35.47
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020286543	1	42	-1.0	-41.96	342.78	6.53	-35.43
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020286544	0	49	-1.0	-43.69	392.90	9.56	-34.13
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020286544	1	49	-1.0	-43.63	392.92	9.55	-34.08
COC1CCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286545	0	49	-1.0	-41.33	388.89	6.21	-35.12
COC1CCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286545	1	49	-1.0	-41.40	388.94	6.23	-35.17
COC1CCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286546	0	46	-1.0	-42.86	363.25	5.84	-37.02
COC1CCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286546	1	46	-1.0	-42.85	363.31	5.85	-37.00
COC1CCC1N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020286547	0	53	-1.0	-44.18	411.94	8.41	-35.77
COC1CCC1N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020286547	1	53	-1.0	-44.09	411.87	8.42	-35.67
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286548	0	50	-1.0	-41.38	377.18	5.96	-35.42
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286548	1	50	-1.0	-41.38	377.24	5.98	-35.40
C=CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286549	0	47	-1.0	-49.05	367.79	6.34	-42.71
C=CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286549	1	47	-1.0	-49.02	367.86	6.35	-42.67
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020286550	0	54	-1.0	-42.43	413.02	8.06	-34.37
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020286550	1	54	-1.0	-42.40	413.06	8.05	-34.35
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286551	0	50	-1.0	-41.18	396.97	8.96	-32.22
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286551	1	50	-1.0	-41.17	397.03	8.98	-32.19
C#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286552	0	47	-1.0	-44.28	376.03	8.25	-36.03
C#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286552	1	47	-1.0	-44.33	376.09	8.28	-36.05
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020286553	0	54	-1.0	-42.56	425.45	10.71	-31.85
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020286553	1	54	-1.0	-42.54	425.45	10.71	-31.83
COC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020286554	0	56	-1.0	-46.12	436.85	10.51	-35.61
COC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020286554	1	56	-1.0	-46.11	436.90	10.52	-35.59
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020286555	0	53	-1.0	-51.64	408.86	9.28	-42.36
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020286555	1	53	-1.0	-51.62	408.80	9.26	-42.36
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020286556	0	58	-1.0	-41.46	424.82	10.34	-31.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020286556	1	58	-1.0	-41.47	424.87	10.36	-31.11
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020286557	0	55	-1.0	-42.46	404.21	9.53	-32.93
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020286557	1	55	-1.0	-42.45	404.27	9.55	-32.90
CC1=NC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2)=NO1	REAL300020286558	0	52	-1.0	-43.33	416.19	5.60	-37.73
CC1=NC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2)=NO1	REAL300020286558	1	52	-1.0	-43.32	416.25	5.62	-37.70
CC1=NC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)=NO1	REAL300020286559	0	49	-1.0	-45.15	396.87	4.83	-40.32
CC1=NC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)=NO1	REAL300020286559	1	49	-1.0	-45.14	396.92	4.86	-40.28
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC[C@H]1C	REAL300020286560	0	52	-1.0	-40.49	402.93	6.79	-33.70
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC[C@H]1C	REAL300020286560	1	52	-1.0	-40.46	402.99	6.81	-33.65
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC[C@H]1C	REAL300020286561	0	49	-1.0	-42.97	383.45	6.02	-36.95
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC[C@H]1C	REAL300020286561	1	49	-1.0	-42.97	383.50	6.04	-36.93
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC[C@H]1C	REAL300020286562	0	56	-1.0	-43.14	431.34	8.94	-34.20
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC[C@H]1C	REAL300020286562	1	56	-1.0	-43.13	431.34	8.93	-34.20
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020286563	0	49	-1.0	-41.40	384.23	4.88	-36.52
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020286563	1	49	-1.0	-41.42	384.29	4.90	-36.52
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020286564	0	46	-1.0	-43.70	366.55	3.94	-39.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020286564	1	46	-1.0	-43.70	366.49	3.91	-39.79
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020286565	0	53	-1.0	-43.08	413.35	6.89	-36.19
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020286565	1	53	-1.0	-43.03	413.33	6.87	-36.16
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@H]1COC	REAL300020286566	0	56	-1.0	-43.56	423.30	5.46	-38.10
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@H]1COC	REAL300020286566	1	56	-1.0	-43.59	423.33	5.48	-38.11
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@H]1COC	REAL300020286567	0	53	-1.0	-46.58	403.87	4.93	-41.65
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@H]1COC	REAL300020286567	1	53	-1.0	-46.57	403.93	4.95	-41.62
COC(=O)CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286568	0	55	-1.0	-47.96	431.92	7.56	-40.40
COC(=O)CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286568	1	55	-1.0	-48.01	431.97	7.56	-40.45
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020286569	0	49	-1.0	-39.90	352.60	3.21	-36.69
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020286569	1	49	-1.0	-39.91	352.66	3.22	-36.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020286570	0	46	-1.0	-52.19	346.16	4.03	-48.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C(F)(F)C1	REAL300020286570	1	46	-1.0	-52.19	346.20	4.05	-48.14
CC(C)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286571	0	53	-1.0	-39.42	405.99	8.50	-30.92
CC(C)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286571	1	53	-1.0	-39.42	406.05	8.52	-30.90
CC(C)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286572	0	50	-1.0	-42.22	388.43	7.91	-34.31
CC(C)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286572	1	50	-1.0	-42.25	388.48	7.93	-34.32
CC(C)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020286573	0	57	-1.0	-41.53	436.85	10.90	-30.63
CC(C)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020286573	1	57	-1.0	-41.48	436.87	10.90	-30.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020286574	0	48	-1.0	-45.33	388.58	8.42	-36.91
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020286574	1	48	-1.0	-45.35	388.63	8.43	-36.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020286575	0	45	-1.0	-46.83	368.68	7.65	-39.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020286575	1	45	-1.0	-46.86	368.74	7.67	-39.19
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1C=CN=C1	REAL300020286576	0	52	-1.0	-48.37	413.79	10.40	-37.97
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1C=CN=C1	REAL300020286576	1	52	-1.0	-48.36	413.84	10.40	-37.96
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCN1CCOCC1	REAL300020286577	0	57	-1.0	-40.72	436.53	5.11	-35.61
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020286577	1	57	-1.0	-40.69	436.59	5.12	-35.57
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020286577	1	58	0.0	-68.62	436.32	7.27	-61.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCN1CCOCC1	REAL300020286578	0	54	-1.0	-42.57	415.05	4.32	-38.25
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020286578	1	54	-1.0	-42.57	415.11	4.34	-38.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020286578	1	55	0.0	-69.33	417.63	6.62	-62.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020286579	0	56	-1.0	-45.93	426.96	8.25	-37.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020286579	1	56	-1.0	-45.94	427.02	8.26	-37.68
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020286580	0	53	-1.0	-43.50	417.84	7.33	-36.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020286580	1	53	-1.0	-43.51	417.89	7.36	-36.15
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020286581	0	52	-1.0	-40.82	408.81	9.22	-31.60
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020286581	1	52	-1.0	-40.83	408.87	9.24	-31.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020286582	0	49	-1.0	-47.06	377.41	8.77	-38.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020286582	1	49	-1.0	-47.12	377.10	8.80	-38.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020286583	0	48	-1.0	-41.87	387.37	7.90	-33.97
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020286583	1	48	-1.0	-41.87	387.42	7.91	-33.96
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020286584	0	45	-1.0	-42.81	361.06	7.04	-35.77
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020286584	1	45	-1.0	-42.80	361.11	7.07	-35.73
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=CN1C	REAL300020286585	0	52	-1.0	-43.84	412.76	9.87	-33.97
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=CN1C	REAL300020286585	1	52	-1.0	-43.82	412.79	9.88	-33.94
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020286586	0	55	-1.0	-40.15	398.76	6.63	-33.52
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020286586	1	55	-1.0	-40.14	398.82	6.64	-33.50
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020286587	0	52	-1.0	-41.52	380.56	5.80	-35.72
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020286587	1	52	-1.0	-41.51	380.64	5.83	-35.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020286588	0	57	-1.0	-43.05	426.25	4.32	-38.73
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020286588	1	57	-1.0	-43.05	426.31	4.33	-38.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020286589	0	54	-1.0	-44.33	413.82	3.53	-40.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020286589	1	54	-1.0	-44.31	413.88	3.55	-40.76
COCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286590	0	55	-1.0	-42.10	416.93	7.60	-34.50
COCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286590	1	55	-1.0	-42.11	416.99	7.62	-34.49
COCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286591	0	52	-1.0	-45.92	389.36	6.53	-39.39
COCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286591	1	52	-1.0	-45.95	389.42	6.55	-39.40
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020286592	0	55	-1.0	-43.87	429.89	9.80	-34.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020286592	1	55	-1.0	-43.93	429.95	9.81	-34.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020286592	1	56	0.0	-66.70	427.59	10.42	-56.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020286593	0	52	-1.0	-45.64	408.38	9.01	-36.63
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020286593	1	52	-1.0	-45.71	408.44	9.03	-36.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020286593	1	53	0.0	-66.28	406.09	9.64	-56.64
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020286594	0	46	-1.0	-45.83	376.49	9.28	-36.55
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020286594	1	46	-1.0	-45.84	376.55	9.29	-36.55
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286595	0	50	-1.0	-41.87	384.33	7.07	-34.80
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286595	1	50	-1.0	-41.81	384.39	7.08	-34.73
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286596	0	47	-1.0	-45.51	363.62	6.31	-39.20
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286596	1	47	-1.0	-45.52	363.53	6.29	-39.23
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020286597	0	54	-1.0	-43.45	410.76	9.08	-34.37
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020286597	1	54	-1.0	-43.43	410.79	9.08	-34.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020286598	0	46	-1.0	-42.09	382.69	9.38	-32.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020286598	1	46	-1.0	-42.10	382.74	9.41	-32.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020286599	0	63	0.0	-60.36	445.74	9.54	-50.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020286599	1	63	0.0	-60.35	445.80	9.56	-50.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020286600	0	60	0.0	-60.29	429.12	8.37	-51.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020286600	1	60	0.0	-60.32	429.19	8.40	-51.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020286601	0	46	-1.0	-42.84	379.39	8.58	-34.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020286601	1	46	-1.0	-42.87	379.45	8.60	-34.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020286602	0	53	-1.0	-42.63	417.24	9.17	-33.46
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020286602	1	53	-1.0	-42.58	417.30	9.19	-33.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020286603	0	50	-1.0	-45.23	395.57	8.26	-36.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020286603	1	50	-1.0	-45.22	395.52	8.24	-36.98
CC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2=C1F	REAL300020286604	0	52	-1.0	-41.88	405.27	10.05	-31.83
CC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2=C1F	REAL300020286604	1	52	-1.0	-41.87	405.33	10.06	-31.81
CC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=C1F	REAL300020286605	0	49	-1.0	-44.19	385.87	9.55	-34.64
CC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=C1F	REAL300020286605	1	49	-1.0	-44.18	385.81	9.54	-34.64
CC1=CC(F)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020286606	0	52	-1.0	-41.68	417.75	9.93	-31.75
CC1=CC(F)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020286606	1	52	-1.0	-41.73	417.80	9.94	-31.79
CC1=CC(F)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020286607	0	49	-1.0	-45.07	385.69	8.81	-36.26
CC1=CC(F)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020286607	1	49	-1.0	-45.11	385.63	8.78	-36.33
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020286608	0	56	-1.0	-40.12	410.38	7.80	-32.32
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020286608	1	56	-1.0	-40.16	410.44	7.83	-32.33
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020286609	0	53	-1.0	-46.74	382.01	6.76	-39.98
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020286609	1	53	-1.0	-46.74	382.07	6.78	-39.96
CC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1	REAL300020286610	0	58	-1.0	-39.96	448.26	11.26	-28.70
CC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020286610	1	58	-1.0	-39.98	448.31	11.28	-28.70
CC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1	REAL300020286611	0	55	-1.0	-42.93	427.86	10.54	-32.39
CC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020286611	1	55	-1.0	-42.97	427.92	10.56	-32.41
CC1=CC(Cl)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020286612	0	49	-1.0	-43.99	394.89	9.37	-34.62
CC1=CC(Cl)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020286612	1	49	-1.0	-44.03	394.95	9.39	-34.64
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020286613	0	50	-1.0	-39.80	375.13	8.40	-31.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020286613	1	50	-1.0	-39.79	375.19	8.41	-31.38
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020286614	0	47	-1.0	-41.53	353.64	7.61	-33.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020286614	1	47	-1.0	-41.55	353.70	7.64	-33.91
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020286615	0	54	-1.0	-42.21	394.20	9.87	-32.34
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020286615	1	54	-1.0	-42.15	394.24	9.86	-32.29
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020286616	0	52	-1.0	-47.76	409.48	5.11	-42.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020286616	1	52	-1.0	-47.74	409.54	5.12	-42.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020286617	0	49	-1.0	-51.96	385.76	4.53	-47.43
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020286617	1	49	-1.0	-51.98	385.82	4.54	-47.44
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020286618	0	51	-1.0	-42.03	386.48	5.63	-36.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020286618	1	51	-1.0	-42.05	386.54	5.64	-36.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020286619	0	48	-1.0	-42.20	376.32	4.73	-37.47
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020286619	1	48	-1.0	-42.21	376.37	4.76	-37.45
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@H]1COC	REAL300020286620	0	56	-1.0	-43.57	427.86	5.75	-37.82
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@H]1COC	REAL300020286620	1	56	-1.0	-43.55	427.92	5.76	-37.79
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@H]1COC	REAL300020286621	0	53	-1.0	-44.82	416.30	4.86	-39.96
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@H]1COC	REAL300020286621	1	53	-1.0	-44.83	416.33	4.88	-39.95
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286622	0	54	-1.0	-41.62	392.98	8.47	-33.15
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286622	1	54	-1.0	-41.60	393.04	8.49	-33.11
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286623	0	51	-1.0	-43.55	378.92	7.55	-36.00
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286623	1	51	-1.0	-43.52	378.98	7.58	-35.94
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020286624	0	58	-1.0	-42.00	422.97	10.47	-31.53
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020286624	1	58	-1.0	-42.04	423.08	10.46	-31.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020286625	0	53	-1.0	-40.30	412.24	7.20	-33.10
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020286625	1	53	-1.0	-40.30	412.29	7.21	-33.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020286626	0	50	-1.0	-48.21	380.27	6.76	-41.45
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020286626	1	50	-1.0	-48.25	380.30	6.76	-41.49
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC12CC2	REAL300020286627	0	50	-1.0	-42.45	389.98	7.39	-35.06
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC12CC2	REAL300020286627	1	50	-1.0	-42.45	390.04	7.41	-35.04
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC12CC2	REAL300020286628	0	47	-1.0	-44.33	363.81	5.71	-38.62
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC12CC2	REAL300020286628	1	47	-1.0	-44.36	363.87	5.73	-38.63
COC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC12CC2	REAL300020286629	0	54	-1.0	-41.72	409.90	7.89	-33.83
COC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC12CC2	REAL300020286629	1	54	-1.0	-41.70	409.94	7.88	-33.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020286630	0	56	-1.0	-44.92	424.83	7.04	-37.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020286630	1	56	-1.0	-44.88	424.89	7.06	-37.82
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020286631	0	53	-1.0	-51.13	395.17	6.14	-44.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020286631	1	53	-1.0	-51.10	395.22	6.16	-44.94
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020286632	0	55	-1.0	-47.81	418.41	7.48	-40.33
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020286632	1	55	-1.0	-47.81	418.46	7.50	-40.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020286633	0	52	-1.0	-54.23	401.30	6.20	-48.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020286633	1	52	-1.0	-54.26	401.36	6.23	-48.03
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020286634	0	49	-1.0	-49.43	384.07	7.00	-42.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020286634	1	49	-1.0	-49.42	384.13	7.01	-42.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020286635	0	46	-1.0	-54.46	352.05	6.56	-47.90
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020286635	1	46	-1.0	-54.29	353.55	6.49	-47.80
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020286636	0	55	-1.0	-46.85	408.27	7.30	-39.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020286636	1	55	-1.0	-46.82	408.33	7.31	-39.51
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020286637	0	52	-1.0	-44.14	393.46	6.50	-37.64
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020286637	1	52	-1.0	-44.15	393.51	6.51	-37.64
CC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CCN21	REAL300020286638	0	49	-1.0	-43.19	385.23	7.73	-35.46
CC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CCN21	REAL300020286638	1	49	-1.0	-43.19	385.29	7.75	-35.44
CC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCN21	REAL300020286639	0	46	-1.0	-48.44	360.96	6.82	-41.62
CC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCN21	REAL300020286639	1	46	-1.0	-48.42	361.02	6.85	-41.57
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020286640	0	56	-1.0	-41.26	430.20	7.25	-34.01
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020286640	1	56	-1.0	-41.30	430.25	7.27	-34.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020286641	0	53	-1.0	-46.60	393.28	5.89	-40.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020286641	1	53	-1.0	-46.57	393.34	5.89	-40.68
COC1=CC=C2C(=C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2C	REAL300020286642	0	56	-1.0	-44.06	422.87	7.86	-36.20
COC1=CC=C2C(=C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2C	REAL300020286642	1	56	-1.0	-44.08	422.93	7.88	-36.20
COC1=CC=C2C(=C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2C	REAL300020286643	0	53	-1.0	-46.74	396.36	7.13	-39.61
COC1=CC=C2C(=C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2C	REAL300020286643	1	53	-1.0	-46.75	396.41	7.14	-39.61
CCC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020286644	0	55	-1.0	-42.28	429.83	9.94	-32.34
CCC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020286644	1	55	-1.0	-42.26	429.88	9.95	-32.31
CCC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020286645	0	52	-1.0	-44.13	401.41	9.52	-34.61
CCC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020286645	1	52	-1.0	-44.12	401.35	9.50	-34.62
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020286646	0	51	-1.0	-42.01	385.27	8.06	-33.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020286646	1	51	-1.0	-42.00	385.32	8.07	-33.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020286647	0	48	-1.0	-45.68	356.31	7.57	-38.11
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020286647	1	48	-1.0	-45.68	356.37	7.59	-38.09
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1C	REAL300020286648	0	55	-1.0	-43.05	406.37	10.15	-32.90
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1C	REAL300020286648	1	55	-1.0	-43.05	406.41	10.14	-32.91
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020286649	0	46	-1.0	-44.27	371.79	4.44	-39.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020286649	1	46	-1.0	-44.28	371.84	4.45	-39.83
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020286650	0	43	-1.0	-48.28	332.20	2.87	-45.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020286650	1	43	-1.0	-48.27	332.25	2.89	-45.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020286651	0	43	-1.0	-39.57	340.96	6.80	-32.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020286651	1	43	-1.0	-39.61	341.02	6.82	-32.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020286652	0	40	-1.0	-42.15	335.30	7.21	-34.94
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020286652	1	40	-1.0	-42.15	335.36	7.23	-34.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020286653	0	56	-1.0	-43.22	433.51	11.20	-32.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020286653	1	56	-1.0	-43.22	433.58	11.23	-31.99
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020286654	0	62	0.0	-69.72	436.62	10.02	-59.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020286654	1	62	0.0	-69.71	436.68	10.04	-59.67
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020286655	0	59	0.0	-72.79	416.02	9.73	-63.06
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020286655	1	59	0.0	-72.85	416.08	9.74	-63.11
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC12CCC2	REAL300020286656	0	55	-1.0	-46.11	421.21	8.73	-37.38
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC12CCC2	REAL300020286656	1	55	-1.0	-46.15	421.28	8.74	-37.41
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC12CCC2	REAL300020286657	0	52	-1.0	-46.51	378.83	7.18	-39.33
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC12CCC2	REAL300020286657	1	52	-1.0	-46.48	378.88	7.17	-39.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020286658	0	51	-1.0	-44.82	403.66	8.25	-36.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020286658	1	51	-1.0	-44.80	403.72	8.27	-36.53
CC1=NN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)S1	REAL300020286659	0	50	-1.0	-45.16	411.30	6.78	-38.38
CC1=NN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)S1	REAL300020286659	1	50	-1.0	-45.12	411.36	6.80	-38.32
COCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020286660	0	53	-1.0	-43.16	408.89	5.46	-37.70
COCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020286660	1	53	-1.0	-43.15	408.95	5.48	-37.67
COCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020286661	0	50	-1.0	-48.28	385.36	4.95	-43.33
COCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020286661	1	50	-1.0	-48.28	385.43	4.96	-43.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020286662	0	55	-1.0	-41.72	433.86	9.93	-31.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020286662	1	55	-1.0	-41.69	433.92	9.95	-31.74
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020286663	0	52	-1.0	-43.23	412.96	9.02	-34.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020286663	1	52	-1.0	-43.21	413.01	9.05	-34.16
CC1=CC(C)=NN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286664	0	58	-1.0	-41.98	454.12	9.15	-32.83
CC1=CC(C)=NN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286664	1	58	-1.0	-41.99	454.18	9.17	-32.82
CC1=CC(C)=NN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286665	0	55	-1.0	-43.00	426.83	8.45	-34.55
CC1=CC(C)=NN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286665	1	55	-1.0	-43.02	426.89	8.48	-34.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020286666	0	50	-1.0	-43.05	391.72	5.63	-37.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020286666	1	50	-1.0	-43.03	391.78	5.64	-37.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020286667	0	47	-1.0	-44.13	371.59	5.42	-38.71
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020286667	1	47	-1.0	-44.11	371.53	5.39	-38.72
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020286668	0	53	-1.0	-40.36	426.66	10.15	-30.21
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020286668	1	53	-1.0	-40.36	426.71	10.17	-30.19
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020286669	0	50	-1.0	-43.35	404.46	9.31	-34.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020286669	1	50	-1.0	-43.36	404.51	9.33	-34.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020286670	0	53	-1.0	-49.26	417.13	10.84	-38.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020286670	1	53	-1.0	-49.30	417.09	10.80	-38.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020286671	0	57	-1.0	-40.57	414.63	10.71	-29.86
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020286671	1	57	-1.0	-40.56	414.68	10.72	-29.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020286672	0	54	-1.0	-41.44	411.35	9.45	-31.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020286672	1	54	-1.0	-41.40	411.43	9.49	-31.91
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020286673	0	55	-1.0	-43.18	420.36	7.04	-36.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020286673	1	55	-1.0	-43.20	420.42	7.05	-36.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020286674	0	52	-1.0	-45.40	400.64	6.24	-39.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020286674	1	52	-1.0	-45.40	400.69	6.26	-39.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020286675	0	51	-1.0	-42.56	408.83	7.50	-35.06
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020286675	1	51	-1.0	-42.56	408.89	7.51	-35.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020286676	0	48	-1.0	-44.51	378.34	6.66	-37.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020286676	1	48	-1.0	-44.49	378.41	6.69	-37.80
C=CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286677	0	48	-1.0	-39.51	379.74	7.78	-31.73
C=CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286677	1	48	-1.0	-39.51	379.80	7.79	-31.72
C=CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286678	0	45	-1.0	-42.27	361.94	7.13	-35.14
C=CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286678	1	45	-1.0	-42.32	361.89	7.11	-35.21
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020286679	0	52	-1.0	-41.71	410.59	10.18	-31.53
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020286679	1	52	-1.0	-41.66	410.62	10.18	-31.48
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020286680	0	53	-1.0	-41.39	399.53	7.44	-33.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020286680	1	53	-1.0	-41.35	399.59	7.45	-33.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020286681	0	50	-1.0	-47.80	375.24	6.81	-40.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020286681	1	50	-1.0	-47.83	375.22	6.81	-41.02
C=CCN(CC(=C)Br)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286682	0	46	-1.0	-41.49	385.58	7.64	-33.85
C=CCN(CC(=C)Br)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286682	1	46	-1.0	-41.50	385.63	7.65	-33.85
C=CCN(CC(=C)Br)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286683	0	43	-1.0	-40.51	368.27	6.85	-33.66
C=CCN(CC(=C)Br)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286683	1	43	-1.0	-40.51	368.32	6.88	-33.63
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020286684	0	51	-1.0	-41.54	405.34	9.88	-31.66
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020286684	1	51	-1.0	-41.52	405.40	9.89	-31.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020286685	0	48	-1.0	-45.92	382.72	9.34	-36.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020286685	1	48	-1.0	-45.90	382.77	9.36	-36.54
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020286686	0	44	-1.0	-49.49	355.91	6.21	-43.28
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020286686	1	44	-1.0	-49.50	355.96	6.22	-43.28
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020286687	0	41	-1.0	-54.67	328.43	5.58	-49.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020286687	1	41	-1.0	-54.69	328.48	5.60	-49.09
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020286688	0	48	-1.0	-51.86	381.01	8.11	-43.75
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020286688	1	48	-1.0	-51.83	381.05	8.11	-43.72
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020286689	0	50	-1.0	-41.14	387.17	6.38	-34.76
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020286689	1	50	-1.0	-41.15	387.23	6.39	-34.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020286690	0	47	-1.0	-41.68	365.56	5.51	-36.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020286690	1	47	-1.0	-41.68	365.62	5.53	-36.15
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020286691	0	54	-1.0	-42.79	422.22	8.28	-34.51
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020286691	1	54	-1.0	-42.73	422.24	8.26	-34.47
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020286692	0	51	-1.0	-44.75	402.81	7.08	-37.67
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020286692	1	51	-1.0	-44.77	402.87	7.09	-37.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020286693	0	48	-1.0	-46.46	374.77	6.53	-39.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020286693	1	48	-1.0	-46.49	374.69	6.51	-39.98
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@H]1F	REAL300020286694	0	46	-1.0	-40.16	359.70	5.27	-34.89
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@H]1F	REAL300020286694	1	46	-1.0	-40.18	359.76	5.29	-34.89
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@H]1F	REAL300020286695	0	43	-1.0	-42.52	338.26	4.49	-38.03
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@H]1F	REAL300020286695	1	43	-1.0	-42.55	338.32	4.51	-38.04
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C[C@H]1F	REAL300020286696	0	50	-1.0	-42.20	401.27	7.48	-34.72
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C[C@H]1F	REAL300020286696	1	50	-1.0	-42.13	401.31	7.47	-34.66
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020286697	0	53	-1.0	-44.87	407.30	5.58	-39.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020286697	1	53	-1.0	-44.89	407.35	5.59	-39.30
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020286698	0	50	-1.0	-45.55	377.91	4.98	-40.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020286698	1	50	-1.0	-45.52	377.85	4.97	-40.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020286699	0	60	-1.0	-40.55	440.35	10.18	-30.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020286699	1	60	-1.0	-40.61	440.41	10.20	-30.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020286700	0	57	-1.0	-44.62	418.60	9.70	-34.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020286700	1	57	-1.0	-44.66	418.66	9.71	-34.95
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286701	0	55	-1.0	-40.21	408.83	9.05	-31.16
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286701	1	55	-1.0	-40.20	408.89	9.07	-31.13
CCC1CC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286702	0	52	-1.0	-42.78	387.40	8.26	-34.52
CCC1CC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286702	1	52	-1.0	-42.85	387.46	8.29	-34.56
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020286703	0	47	-1.0	-46.67	376.04	5.80	-40.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020286703	1	47	-1.0	-46.67	376.10	5.81	-40.86
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020286704	0	48	-1.0	-45.30	375.58	7.97	-37.33
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020286704	1	48	-1.0	-45.27	375.64	7.98	-37.29
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020286705	0	45	-1.0	-42.98	360.54	7.14	-35.84
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020286705	1	45	-1.0	-42.98	360.60	7.16	-35.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020286706	0	52	-1.0	-47.43	419.40	8.45	-38.98
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020286706	1	52	-1.0	-47.42	419.34	8.43	-38.99
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020286707	0	46	-1.0	-48.90	375.76	7.01	-41.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020286707	1	46	-1.0	-48.93	375.82	7.03	-41.90
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020286708	0	58	-1.0	-42.40	446.18	10.23	-32.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020286708	1	58	-1.0	-42.38	446.24	10.25	-32.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020286709	0	55	-1.0	-44.04	420.77	10.15	-33.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020286709	1	55	-1.0	-44.01	420.83	10.18	-33.83
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020286710	0	58	-1.0	-43.66	435.48	10.63	-33.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020286710	1	58	-1.0	-43.70	435.54	10.66	-33.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020286711	0	53	-1.0	-40.30	424.72	9.72	-30.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020286711	1	53	-1.0	-40.36	424.78	9.74	-30.62
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020286712	0	52	-1.0	-50.53	402.43	4.55	-45.98
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020286712	1	52	-1.0	-50.52	402.49	4.57	-45.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020286713	0	49	-1.0	-54.76	376.00	3.95	-50.81
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020286713	1	49	-1.0	-54.77	376.04	3.95	-50.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020286714	0	53	-1.0	-41.89	423.79	8.63	-33.26
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020286714	1	53	-1.0	-41.87	423.84	8.64	-33.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020286715	0	50	-1.0	-49.71	394.90	8.09	-41.62
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020286715	1	50	-1.0	-49.73	395.00	8.10	-41.63
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020286716	0	56	-1.0	-43.44	429.68	8.79	-34.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020286716	1	56	-1.0	-43.50	429.76	8.81	-34.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020286717	0	53	-1.0	-47.58	401.79	7.93	-39.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020286717	1	53	-1.0	-47.63	401.86	7.93	-39.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020286718	0	48	-1.0	-42.75	378.74	7.81	-34.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020286718	1	48	-1.0	-42.74	378.80	7.81	-34.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020286719	0	45	-1.0	-42.25	365.24	6.95	-35.30
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020286719	1	45	-1.0	-42.32	365.30	6.96	-35.36
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020286720	0	49	-1.0	-47.30	366.65	3.06	-44.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020286720	1	49	-1.0	-47.27	366.71	3.08	-44.19
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020286721	0	46	-1.0	-52.82	338.44	2.67	-50.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020286721	1	46	-1.0	-52.85	338.49	2.67	-50.18
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020286722	0	53	-1.0	-52.09	418.02	6.17	-45.92
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020286722	1	53	-1.0	-52.03	418.07	6.16	-45.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020286723	0	53	-1.0	-48.85	408.68	6.76	-42.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020286723	1	53	-1.0	-48.84	408.74	6.77	-42.07
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020286724	0	50	-1.0	-54.53	378.77	6.09	-48.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020286724	1	50	-1.0	-54.56	378.84	6.09	-48.47
CCC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020286725	0	55	-1.0	-40.65	426.35	10.75	-29.90
CCC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020286725	1	55	-1.0	-40.63	426.41	10.77	-29.86
CCC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020286726	0	52	-1.0	-41.84	410.06	9.96	-31.88
CCC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020286726	1	52	-1.0	-41.82	410.00	9.93	-31.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020286727	0	56	-1.0	-42.71	425.90	9.46	-33.25
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020286727	1	56	-1.0	-42.70	425.96	9.48	-33.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020286728	0	53	-1.0	-50.69	403.59	8.45	-42.24
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020286728	1	53	-1.0	-50.70	403.65	8.47	-42.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020286729	0	48	-1.0	-48.08	362.87	3.78	-44.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020286729	1	48	-1.0	-48.11	362.93	3.79	-44.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020286730	0	45	-1.0	-47.34	349.41	2.91	-44.43
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020286730	1	45	-1.0	-47.36	349.34	2.88	-44.48
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC(N)=O	REAL300020286731	0	52	-1.0	-50.14	396.59	5.77	-44.37
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC(N)=O	REAL300020286731	1	52	-1.0	-50.04	396.63	5.76	-44.28
CC1=CC(C)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020286732	0	55	-1.0	-42.85	422.36	9.24	-33.61
CC1=CC(C)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020286732	1	55	-1.0	-42.90	422.42	9.26	-33.64
CC1=CC(C)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020286733	0	52	-1.0	-48.26	389.21	8.78	-39.48
CC1=CC(C)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020286733	1	52	-1.0	-48.25	389.16	8.78	-39.47
CC1=CSC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020286734	0	48	-1.0	-39.18	402.14	8.57	-30.61
CC1=CSC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020286734	1	48	-1.0	-39.14	402.20	8.58	-30.56
CC1=CSC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020286735	0	45	-1.0	-46.23	364.75	8.10	-38.13
CC1=CSC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020286735	1	45	-1.0	-46.18	364.72	8.10	-38.08
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286736	0	55	-1.0	-53.63	420.88	9.15	-44.48
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286736	1	55	-1.0	-53.57	420.79	9.15	-44.42
CCC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020286737	0	55	-1.0	-41.05	419.98	10.62	-30.43
CCC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020286737	1	55	-1.0	-41.04	420.04	10.64	-30.40
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020286738	0	52	-1.0	-47.89	387.36	8.80	-39.09
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020286738	1	52	-1.0	-47.93	387.32	8.79	-39.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020286739	0	53	-1.0	-41.04	400.44	6.80	-34.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020286739	1	53	-1.0	-41.06	400.49	6.82	-34.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020286740	0	50	-1.0	-45.60	354.28	5.88	-39.72
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020286740	1	50	-1.0	-45.56	354.32	5.90	-39.66
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020286741	0	53	-1.0	-41.42	427.01	9.27	-32.15
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020286741	1	53	-1.0	-41.44	426.95	9.26	-32.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020286742	0	50	-1.0	-44.72	400.07	8.43	-36.29
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020286742	1	50	-1.0	-44.76	400.03	8.41	-36.35
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020286743	0	56	-1.0	-40.25	429.58	6.79	-33.46
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020286743	1	56	-1.0	-40.26	429.64	6.81	-33.45
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020286744	0	53	-1.0	-42.19	400.70	5.99	-36.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020286744	1	53	-1.0	-42.19	400.76	6.02	-36.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020286745	0	52	-1.0	-47.50	414.64	9.91	-37.59
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020286745	1	52	-1.0	-47.46	414.58	9.90	-37.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020286746	0	49	-1.0	-49.37	390.13	9.29	-40.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020286746	1	49	-1.0	-49.32	390.07	9.27	-40.05
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020286747	0	49	-1.0	-40.15	379.50	8.49	-31.66
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020286747	1	49	-1.0	-40.17	379.56	8.51	-31.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020286748	0	46	-1.0	-47.02	346.80	7.94	-39.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020286748	1	46	-1.0	-47.04	346.84	7.96	-39.08
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1C2CCCC21	REAL300020286749	0	53	-1.0	-42.22	404.89	10.40	-31.82
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1C2CCCC21	REAL300020286749	1	53	-1.0	-42.13	404.95	10.40	-31.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020286750	0	52	-1.0	-42.61	389.65	7.81	-34.80
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020286750	1	52	-1.0	-42.55	389.71	7.82	-34.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020286751	0	49	-1.0	-46.01	353.58	6.86	-39.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020286751	1	49	-1.0	-46.01	353.71	6.87	-39.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020286752	0	52	-1.0	-40.51	418.14	8.95	-31.56
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020286752	1	52	-1.0	-40.56	418.20	8.97	-31.59
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020286753	0	49	-1.0	-46.45	381.70	7.98	-38.47
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020286753	1	49	-1.0	-46.47	381.76	7.98	-38.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C2	REAL300020286754	0	43	-1.0	-40.43	334.06	6.87	-33.56
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C2	REAL300020286754	1	43	-1.0	-40.42	334.11	6.89	-33.53
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C2	REAL300020286755	0	47	-1.0	-43.12	372.02	8.82	-34.30
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C2	REAL300020286755	1	47	-1.0	-43.12	372.16	8.82	-34.30
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1(C)C	REAL300020286756	0	52	-1.0	-41.36	400.12	6.81	-34.55
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1(C)C	REAL300020286756	1	52	-1.0	-41.37	400.17	6.82	-34.55
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1(C)C	REAL300020286757	0	49	-1.0	-43.72	377.75	5.97	-37.75
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1(C)C	REAL300020286757	1	49	-1.0	-43.67	377.81	6.00	-37.67
COC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1(C)C	REAL300020286758	0	56	-1.0	-42.80	427.75	8.83	-33.97
COC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1(C)C	REAL300020286758	1	56	-1.0	-42.82	427.78	8.81	-34.01
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286759	0	57	0.0	-71.50	412.94	7.38	-64.12
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286759	1	57	0.0	-71.36	412.87	7.37	-63.99
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C[C@H]12	REAL300020286760	0	53	-1.0	-42.02	369.84	6.58	-35.44
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C[C@H]12	REAL300020286760	1	53	-1.0	-42.06	369.90	6.60	-35.46
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C[C@H]12	REAL300020286761	0	50	-1.0	-50.69	371.03	6.57	-44.12
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C[C@H]12	REAL300020286761	1	50	-1.0	-50.62	370.94	6.57	-44.05
COC1=CC2=C(C=C1C)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020286762	0	56	-1.0	-42.50	431.37	9.05	-33.45
COC1=CC2=C(C=C1C)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020286762	1	56	-1.0	-42.51	431.43	9.06	-33.45
COC1=CC2=C(C=C1C)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020286763	0	53	-1.0	-46.53	404.72	8.80	-37.73
COC1=CC2=C(C=C1C)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020286763	1	53	-1.0	-46.53	404.78	8.80	-37.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020286764	0	58	-1.0	-42.06	424.73	5.28	-36.78
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020286764	1	58	-1.0	-42.08	424.79	5.30	-36.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020286765	0	55	-1.0	-42.97	399.90	4.18	-38.79
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020286765	1	55	-1.0	-42.96	399.96	4.20	-38.76
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020286766	0	53	-1.0	-43.64	412.89	6.90	-36.74
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020286766	1	53	-1.0	-43.69	412.94	6.92	-36.77
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020286767	0	50	-1.0	-46.89	386.30	6.66	-40.23
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020286767	1	50	-1.0	-46.90	386.23	6.66	-40.24
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020286768	0	53	-1.0	-39.58	430.85	10.08	-29.50
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020286768	1	53	-1.0	-39.62	430.91	10.09	-29.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020286769	0	50	-1.0	-40.58	404.66	9.49	-31.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020286769	1	50	-1.0	-40.60	404.71	9.51	-31.09
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC[C@H]12	REAL300020286770	0	53	-1.0	-41.51	408.32	7.68	-33.83
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC[C@H]12	REAL300020286770	1	53	-1.0	-41.55	408.38	7.69	-33.86
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC[C@H]12	REAL300020286771	0	50	-1.0	-44.30	389.09	7.20	-37.10
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC[C@H]12	REAL300020286771	1	50	-1.0	-44.32	389.14	7.21	-37.11
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020286772	0	46	-1.0	-46.76	388.32	9.78	-36.98
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020286772	1	46	-1.0	-46.72	388.26	9.77	-36.95
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020286773	0	43	-1.0	-49.35	361.54	9.10	-40.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020286773	1	43	-1.0	-49.41	361.49	9.08	-40.33
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020286774	0	53	-1.0	-41.59	423.15	10.04	-31.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020286774	1	53	-1.0	-41.58	423.21	10.05	-31.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020286775	0	50	-1.0	-45.41	399.05	9.28	-36.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020286775	1	50	-1.0	-45.41	399.10	9.31	-36.10
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020286776	0	58	-1.0	-40.85	428.19	7.89	-32.96
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020286776	1	58	-1.0	-40.83	428.24	7.91	-32.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020286777	0	55	-1.0	-42.53	397.71	7.24	-35.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020286777	1	55	-1.0	-42.54	397.76	7.26	-35.28
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020286778	0	51	-1.0	-46.17	402.88	6.25	-39.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020286778	1	51	-1.0	-46.18	402.93	6.27	-39.91
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020286779	0	48	-1.0	-46.57	376.01	5.67	-40.90
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020286779	1	48	-1.0	-46.60	376.06	5.68	-40.92
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020286780	0	48	-1.0	-57.94	383.06	3.17	-54.77
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020286780	1	48	-1.0	-57.93	383.12	3.20	-54.73
CC1=C(CNC2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)OC=C1	REAL300020286781	0	45	-1.0	-42.08	367.29	8.07	-34.01
CC1=C(CNC2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)OC=C1	REAL300020286781	1	45	-1.0	-42.03	367.35	8.09	-33.94
CC1=C(CNC2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)OC=C1	REAL300020286782	0	42	-1.0	-43.68	345.85	7.31	-36.37
CC1=C(CNC2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)OC=C1	REAL300020286782	1	42	-1.0	-43.64	345.79	7.29	-36.35
CC1=C(CNC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)OC=C1	REAL300020286783	0	49	-1.0	-43.63	398.32	10.00	-33.63
CC1=C(CNC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)OC=C1	REAL300020286783	1	49	-1.0	-43.60	398.36	10.00	-33.60
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020286784	0	55	-1.0	-42.44	416.93	9.57	-32.87
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020286784	1	55	-1.0	-42.45	416.99	9.59	-32.86
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020286785	0	52	-1.0	-45.67	395.00	9.17	-36.50
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020286785	1	52	-1.0	-45.67	394.94	9.15	-36.52
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286786	0	58	-1.0	-44.90	449.61	8.65	-36.25
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286786	1	58	-1.0	-44.91	449.67	8.68	-36.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020286787	0	47	-1.0	-40.86	360.15	5.69	-35.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020286787	1	47	-1.0	-40.86	360.21	5.71	-35.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020286788	0	44	-1.0	-44.11	332.10	4.95	-39.16
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020286788	1	44	-1.0	-44.08	332.15	4.97	-39.11
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020286789	0	51	-1.0	-42.72	387.79	7.96	-34.76
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020286789	1	51	-1.0	-42.68	387.78	7.95	-34.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020286790	0	45	-1.0	-40.51	336.88	6.18	-34.33
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020286790	1	45	-1.0	-40.53	336.93	6.20	-34.33
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020286791	0	42	-1.0	-44.92	325.90	6.63	-38.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020286791	1	42	-1.0	-44.94	325.96	6.63	-38.31
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020286792	0	49	-1.0	-41.96	380.95	9.24	-32.72
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020286792	1	49	-1.0	-41.93	380.98	9.24	-32.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020286793	0	47	-1.0	-50.46	382.28	3.26	-47.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020286793	1	47	-1.0	-50.47	382.34	3.28	-47.19
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020286794	0	44	-1.0	-56.65	353.79	2.55	-54.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020286794	1	44	-1.0	-56.73	353.86	2.57	-54.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020286795	0	54	-1.0	-41.24	396.62	6.88	-34.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020286795	1	54	-1.0	-41.20	396.67	6.89	-34.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020286796	0	51	-1.0	-41.34	382.57	6.10	-35.24
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020286796	1	51	-1.0	-41.31	382.62	6.12	-35.19
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286797	0	47	-1.0	-43.67	359.56	8.15	-35.52
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286797	1	47	-1.0	-43.69	359.62	8.16	-35.53
C#C[C@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286798	0	44	-1.0	-41.87	339.84	6.36	-35.51
C#C[C@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286798	1	44	-1.0	-41.88	339.78	6.33	-35.55
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020286799	0	51	-1.0	-41.36	389.77	8.82	-32.54
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020286799	1	51	-1.0	-41.37	389.78	8.81	-32.56
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286800	0	51	-1.0	-42.47	405.15	8.90	-33.57
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286800	1	51	-1.0	-42.46	405.20	8.91	-33.55
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286801	0	48	-1.0	-50.38	374.71	8.24	-42.14
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286801	1	48	-1.0	-50.30	374.65	8.23	-42.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020286802	0	46	-1.0	-44.60	381.84	8.74	-35.86
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020286802	1	46	-1.0	-44.57	381.78	8.72	-35.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020286803	0	43	-1.0	-46.69	366.53	7.86	-38.83
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020286803	1	43	-1.0	-46.64	366.48	7.84	-38.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020286804	0	55	-1.0	-49.00	423.15	10.83	-38.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020286804	1	55	-1.0	-49.04	423.21	10.83	-38.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020286805	0	49	-2.0	-95.77	408.04	4.43	-91.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020286805	1	49	-2.0	-95.76	408.10	4.45	-91.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020286805	1	50	-1.0	-54.43	403.18	5.44	-48.99
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020286805	1	50	-1.0	-54.40	403.24	5.45	-48.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020286806	0	46	-2.0	-82.87	389.06	4.65	-78.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020286806	1	46	-2.0	-82.81	389.11	4.67	-78.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020286806	1	47	-1.0	-52.93	384.51	5.52	-47.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020286806	1	47	-1.0	-52.96	384.56	5.55	-47.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020286807	0	50	-1.0	-50.21	401.29	4.27	-45.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020286807	1	50	-1.0	-50.25	401.34	4.28	-45.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020286808	0	47	-1.0	-50.66	385.39	3.55	-47.11
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020286808	1	47	-1.0	-50.65	385.45	3.57	-47.08
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020286809	0	44	-1.0	-42.25	350.31	6.97	-35.28
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020286809	1	44	-1.0	-42.30	350.37	6.99	-35.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020286810	0	41	-1.0	-43.41	340.24	6.03	-37.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020286810	1	41	-1.0	-43.40	340.29	6.05	-37.35
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(F)F	REAL300020286811	0	48	-1.0	-43.07	388.94	9.10	-33.97
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(F)F	REAL300020286811	1	48	-1.0	-43.08	388.97	9.10	-33.98
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020286812	0	48	-1.0	-41.27	381.23	7.95	-33.32
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020286812	1	48	-1.0	-41.28	381.29	7.97	-33.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020286813	0	45	-1.0	-41.59	357.61	7.06	-34.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020286813	1	45	-1.0	-41.60	357.67	7.08	-34.52
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC(F)C1	REAL300020286814	0	52	-1.0	-41.60	410.80	9.79	-31.81
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC(F)C1	REAL300020286814	1	52	-1.0	-41.58	410.83	9.78	-31.80
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020286815	0	52	-1.0	-59.95	421.77	6.61	-53.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020286815	1	52	-1.0	-59.95	421.70	6.58	-53.37
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020286816	0	49	-1.0	-52.07	384.70	4.51	-47.56
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020286816	1	49	-1.0	-52.04	384.75	4.53	-47.51
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020286817	0	46	-1.0	-50.47	369.13	3.70	-46.77
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020286817	1	46	-1.0	-50.44	369.19	3.72	-46.72
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286818	0	47	-1.0	-40.85	384.32	6.10	-34.75
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286818	1	47	-1.0	-40.87	384.38	6.12	-34.75
C#CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286819	0	44	-1.0	-43.17	361.39	5.26	-37.91
C#CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286819	1	44	-1.0	-43.16	361.32	5.23	-37.93
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020286820	0	51	-1.0	-43.51	414.46	8.46	-35.05
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020286820	1	51	-1.0	-43.50	415.50	8.39	-35.11
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1OC	REAL300020286821	0	55	-1.0	-42.69	432.07	7.93	-34.76
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1OC	REAL300020286821	1	55	-1.0	-42.68	432.13	7.95	-34.73
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1OC	REAL300020286822	0	52	-1.0	-44.03	414.43	6.75	-37.28
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1OC	REAL300020286822	1	52	-1.0	-43.99	414.49	6.77	-37.22
COCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286823	0	52	-1.0	-42.26	399.45	6.42	-35.84
COCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286823	1	52	-1.0	-42.26	399.51	6.43	-35.83
COCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286824	0	49	-1.0	-41.96	382.34	5.80	-36.16
COCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286824	1	49	-1.0	-41.91	382.41	5.82	-36.09
COCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020286825	0	56	-1.0	-43.30	431.87	8.62	-34.68
COCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020286825	1	56	-1.0	-43.27	431.88	8.62	-34.65
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020286826	0	49	-1.0	-47.56	391.65	7.87	-39.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020286826	1	49	-1.0	-47.52	391.70	7.87	-39.65
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020286827	0	49	-1.0	-43.19	394.90	9.52	-33.67
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020286827	1	49	-1.0	-43.37	395.16	9.65	-33.72
CC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C2CC2)C=C1	REAL300020286828	0	55	-1.0	-39.45	429.45	9.89	-29.56
CC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C2CC2)C=C1	REAL300020286828	1	55	-1.0	-39.45	429.51	9.91	-29.54
CC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C2CC2)C=C1	REAL300020286829	0	52	-1.0	-42.39	419.58	10.01	-32.38
CC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C2CC2)C=C1	REAL300020286829	1	52	-1.0	-42.37	419.52	9.98	-32.39
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020286830	0	52	-1.0	-41.56	404.92	7.34	-34.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020286830	1	52	-1.0	-41.58	404.98	7.36	-34.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020286831	0	49	-1.0	-41.64	386.24	6.83	-34.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020286831	1	49	-1.0	-41.64	386.18	6.80	-34.84
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020286832	0	45	-1.0	-45.67	355.15	6.08	-39.59
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020286832	1	45	-1.0	-45.70	355.21	6.09	-39.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020286833	0	42	-1.0	-45.23	330.42	6.46	-38.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020286833	1	42	-1.0	-45.26	330.37	6.45	-38.81
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020286834	0	49	-1.0	-46.09	376.96	8.67	-37.42
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020286834	1	49	-1.0	-46.12	377.00	8.67	-37.45
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020286835	0	58	-1.0	-39.83	416.77	9.83	-30.00
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020286835	1	58	-1.0	-39.79	416.81	9.84	-29.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020286836	0	55	-1.0	-46.70	369.52	8.48	-38.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020286836	1	55	-1.0	-46.71	369.48	8.50	-38.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020286837	0	55	-1.0	-41.58	412.25	9.44	-32.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020286837	1	55	-1.0	-41.58	412.33	9.46	-32.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020286838	0	52	-1.0	-42.92	400.99	8.58	-34.34
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020286838	1	52	-1.0	-42.93	401.05	8.60	-34.33
COC(=O)C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CCN2C=C1	REAL300020286839	0	53	-1.0	-49.95	423.58	8.84	-41.11
COC(=O)C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CCN2C=C1	REAL300020286839	1	53	-1.0	-49.95	423.64	8.85	-41.10
COC(=O)C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCN2C=C1	REAL300020286840	0	50	-1.0	-51.12	407.73	7.85	-43.27
COC(=O)C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCN2C=C1	REAL300020286840	1	50	-1.0	-51.14	407.79	7.88	-43.26
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020286841	0	49	-1.0	-43.59	390.21	8.93	-34.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020286841	1	49	-1.0	-43.59	390.27	8.96	-34.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020286842	0	53	-1.0	-48.67	406.59	8.64	-40.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020286842	1	53	-1.0	-48.71	406.64	8.66	-40.05
COC(=O)COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286843	0	55	-1.0	-50.04	430.02	8.03	-42.01
COC(=O)COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286843	1	55	-1.0	-50.04	430.09	8.04	-42.00
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020286844	0	46	-1.0	-43.77	379.25	6.49	-37.28
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020286844	1	46	-1.0	-43.77	379.30	6.50	-37.27
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020286845	0	43	-1.0	-43.72	353.53	6.22	-37.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020286845	1	43	-1.0	-43.70	353.58	6.22	-37.48
COC(=O)C1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286846	0	54	-1.0	-41.95	416.14	8.80	-33.15
COC(=O)C1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286846	1	54	-1.0	-41.96	416.20	8.81	-33.15
COC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286847	0	51	-1.0	-47.15	397.59	7.96	-39.19
COC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286847	1	51	-1.0	-47.24	397.65	7.97	-39.27
COC(=O)[C@@H]1C[C@H]1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286848	0	55	-1.0	-44.74	431.94	9.30	-35.44
COC(=O)[C@@H]1C[C@H]1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286848	1	55	-1.0	-44.76	431.99	9.32	-35.44
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020286849	0	55	-1.0	-41.92	416.39	9.19	-32.73
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020286849	1	55	-1.0	-41.95	416.45	9.20	-32.75
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020286850	0	52	-1.0	-45.43	379.74	7.57	-37.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020286850	1	52	-1.0	-45.44	379.80	7.60	-37.84
COC1=CC=C2C(=C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)CC2C	REAL300020286851	0	53	-1.0	-44.99	413.43	10.25	-34.74
COC1=CC=C2C(=C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)CC2C	REAL300020286851	1	53	-1.0	-45.00	413.49	10.27	-34.73
COC1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)CC2C	REAL300020286852	0	50	-1.0	-46.50	391.42	9.81	-36.69
COC1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)CC2C	REAL300020286852	1	50	-1.0	-46.46	391.38	9.79	-36.67
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020286853	0	58	-1.0	-40.33	404.37	9.14	-31.19
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020286853	1	58	-1.0	-40.36	404.42	9.16	-31.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020286854	0	55	-1.0	-41.93	401.46	9.02	-32.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020286854	1	55	-1.0	-41.97	401.51	9.05	-32.92
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020286855	0	48	-1.0	-40.52	382.23	7.81	-32.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020286855	1	48	-1.0	-40.55	382.29	7.82	-32.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020286856	0	45	-1.0	-41.94	364.08	7.15	-34.79
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020286856	1	45	-1.0	-41.96	364.14	7.17	-34.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020286857	0	56	-1.0	-42.31	422.84	7.82	-34.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020286857	1	56	-1.0	-42.32	422.90	7.84	-34.48
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020286858	0	50	-1.0	-44.88	380.82	4.74	-40.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020286858	1	50	-1.0	-44.89	380.88	4.76	-40.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020286859	0	47	-1.0	-45.15	365.86	4.03	-41.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020286859	1	47	-1.0	-45.16	365.92	4.05	-41.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020286860	0	46	-1.0	-46.55	374.88	7.50	-39.05
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020286860	1	46	-1.0	-46.56	374.94	7.51	-39.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020286861	0	43	-1.0	-46.46	359.74	6.67	-39.79
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020286861	1	43	-1.0	-46.45	359.80	6.69	-39.76
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020286862	0	53	-1.0	-52.68	378.64	4.59	-48.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020286862	1	53	-1.0	-52.66	378.70	4.62	-48.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020286863	0	50	-1.0	-47.33	383.79	4.76	-42.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020286863	1	50	-1.0	-47.35	383.87	4.78	-42.57
COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@@H]1C	REAL300020286864	0	53	-1.0	-43.45	409.37	6.57	-36.88
COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020286864	1	53	-1.0	-43.50	409.43	6.59	-36.91
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@@H]1C	REAL300020286865	0	50	-1.0	-48.51	381.92	5.74	-42.77
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@@H]1C	REAL300020286865	1	50	-1.0	-48.46	381.94	5.77	-42.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020286866	0	47	-1.0	-44.78	361.31	5.93	-38.85
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020286866	1	47	-1.0	-44.78	361.37	5.94	-38.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020286867	0	44	-1.0	-49.74	332.17	5.25	-44.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020286867	1	44	-1.0	-49.70	332.22	5.27	-44.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020286868	0	52	-1.0	-46.12	413.32	9.77	-36.35
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020286868	1	52	-1.0	-46.14	413.38	9.78	-36.36
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020286869	0	49	-1.0	-41.44	380.67	9.00	-32.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020286869	1	49	-1.0	-41.45	380.73	9.03	-32.42
CCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286870	0	54	-1.0	-39.33	411.03	9.17	-30.16
CCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286870	1	54	-1.0	-39.31	411.08	9.18	-30.13
CCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020286871	0	51	-1.0	-45.39	382.69	8.76	-36.63
CCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020286871	1	51	-1.0	-45.43	382.73	8.77	-36.66
CCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC1	REAL300020286872	0	58	-1.0	-41.34	437.19	11.41	-29.93
CCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC1	REAL300020286872	1	58	-1.0	-41.32	437.24	11.39	-29.93
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC(F)(F)C1	REAL300020286873	0	51	-1.0	-42.61	410.81	8.09	-34.52
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC(F)(F)C1	REAL300020286873	1	51	-1.0	-42.61	410.87	8.10	-34.51
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC(F)(F)C1	REAL300020286874	0	48	-1.0	-44.63	389.41	7.11	-37.52
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC(F)(F)C1	REAL300020286874	1	48	-1.0	-44.65	389.47	7.14	-37.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020286875	0	42	-1.0	-42.17	335.30	5.77	-36.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020286875	1	42	-1.0	-42.20	335.36	5.78	-36.42
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020286876	0	39	-1.0	-43.74	321.22	4.88	-38.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020286876	1	39	-1.0	-43.72	321.16	4.87	-38.85
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020286877	0	46	-1.0	-43.73	364.92	7.75	-35.98
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020286877	1	46	-1.0	-43.76	364.95	7.73	-36.03
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020286878	0	52	-1.0	-43.40	383.19	3.61	-39.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020286878	1	52	-1.0	-43.35	383.25	3.62	-39.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020286879	0	49	-1.0	-46.66	381.26	3.70	-42.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020286879	1	49	-1.0	-46.62	381.32	3.73	-42.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020286880	0	49	-1.0	-40.51	371.14	8.17	-32.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020286880	1	49	-1.0	-40.47	371.20	8.19	-32.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020286881	0	46	-1.0	-42.71	351.98	7.48	-35.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020286881	1	46	-1.0	-42.69	351.93	7.46	-35.23
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020286882	0	53	-1.0	-43.75	378.06	9.26	-34.49
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020286882	1	53	-1.0	-43.68	378.12	9.26	-34.42
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020286883	0	49	-1.0	-41.80	361.42	7.32	-34.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020286883	1	49	-1.0	-41.79	361.50	7.34	-34.45
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020286884	0	46	-1.0	-44.12	348.19	6.73	-37.39
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020286884	1	46	-1.0	-44.11	348.13	6.71	-37.40
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020286885	0	53	-1.0	-42.83	393.29	9.47	-33.36
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020286885	1	53	-1.0	-42.83	393.32	9.47	-33.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020286886	0	52	-1.0	-41.82	411.71	7.27	-34.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020286886	1	52	-1.0	-41.78	411.65	7.25	-34.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020286887	0	49	-1.0	-43.43	392.41	6.49	-36.94
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020286887	1	49	-1.0	-43.38	392.36	6.47	-36.91
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020286888	0	48	-1.0	-40.89	369.39	8.18	-32.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020286888	1	48	-1.0	-40.92	369.43	8.19	-32.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020286889	0	45	-1.0	-42.99	351.85	7.42	-35.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020286889	1	45	-1.0	-43.00	351.91	7.44	-35.56
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020286890	0	52	-1.0	-42.32	397.41	9.94	-32.38
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020286890	1	52	-1.0	-42.25	397.44	9.93	-32.32
COC1(OC)CC(C(N)=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286891	0	54	-1.0	-47.50	392.52	1.42	-46.08
COC1(OC)CC(C(N)=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286891	1	54	-1.0	-47.55	392.58	1.42	-46.13
CC1=NN=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2)O1	REAL300020286892	0	53	-1.0	-44.10	426.33	3.72	-40.38
CC1=NN=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2)O1	REAL300020286892	1	53	-1.0	-44.11	426.38	3.74	-40.37
CC1=NN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)O1	REAL300020286893	0	50	-1.0	-45.58	402.22	2.94	-42.64
CC1=NN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)O1	REAL300020286893	1	50	-1.0	-45.61	402.28	2.96	-42.65
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020286894	0	53	-1.0	-48.43	411.21	5.73	-42.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020286894	1	53	-1.0	-48.44	411.27	5.74	-42.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020286895	0	50	-1.0	-50.20	375.19	4.81	-45.39
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020286895	1	50	-1.0	-50.18	375.25	4.84	-45.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020286896	0	51	-1.0	-41.96	395.57	8.79	-33.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020286896	1	51	-1.0	-41.97	395.63	8.81	-33.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020286897	0	48	-1.0	-45.35	380.89	7.94	-37.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020286897	1	48	-1.0	-45.34	380.95	7.97	-37.37
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020286898	0	56	-1.0	-45.04	431.29	7.32	-37.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020286898	1	56	-1.0	-45.06	431.35	7.34	-37.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020286899	0	53	-1.0	-46.01	407.90	7.66	-38.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020286899	1	53	-1.0	-46.01	407.91	7.67	-38.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020286900	0	49	-1.0	-39.78	374.72	4.28	-35.50
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020286900	1	49	-1.0	-39.78	374.78	4.29	-35.49
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020286901	0	46	-1.0	-48.74	335.21	3.24	-45.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020286901	1	46	-1.0	-48.80	335.30	3.25	-45.55
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020286902	0	53	-1.0	-44.27	395.34	5.93	-38.34
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020286902	1	53	-1.0	-44.21	395.35	5.92	-38.29
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020286903	0	56	-1.0	-40.96	400.46	5.63	-35.33
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020286903	1	56	-1.0	-40.96	400.52	5.64	-35.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020286904	0	53	-1.0	-45.50	374.94	5.13	-40.37
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020286904	1	53	-1.0	-45.45	374.97	5.13	-40.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020286905	0	52	-1.0	-50.09	386.26	10.00	-40.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020286905	1	52	-1.0	-50.09	386.28	10.00	-40.09
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020286906	0	56	-1.0	-40.16	424.19	10.48	-29.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020286906	1	56	-1.0	-40.13	424.25	10.50	-29.63
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020286907	0	53	-1.0	-43.00	406.57	9.99	-33.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020286907	1	53	-1.0	-42.98	406.51	9.97	-33.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020286908	0	57	-1.0	-42.49	431.36	6.74	-35.75
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020286908	1	57	-1.0	-42.49	431.42	6.75	-35.74
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020286909	0	54	-1.0	-46.34	407.87	5.51	-40.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020286909	1	54	-1.0	-46.34	407.93	5.54	-40.80
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C(C)C1CCC1	REAL300020286910	0	54	-1.0	-41.19	397.91	9.55	-31.64
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C(C)C1CCC1	REAL300020286910	1	54	-1.0	-41.17	397.96	9.56	-31.61
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C(C)C1CCC1	REAL300020286911	0	51	-1.0	-42.21	377.62	6.96	-35.25
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C(C)C1CCC1	REAL300020286911	1	51	-1.0	-42.25	377.67	6.98	-35.27
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C)C(C)C1CCC1	REAL300020286912	0	58	-1.0	-41.67	426.11	11.05	-30.62
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C)C(C)C1CCC1	REAL300020286912	1	58	-1.0	-41.61	426.13	11.04	-30.57
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020286913	0	56	-1.0	-45.04	431.29	7.32	-37.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020286913	1	56	-1.0	-45.06	431.35	7.34	-37.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020286914	0	53	-1.0	-46.01	407.90	7.66	-38.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020286914	1	53	-1.0	-46.01	407.91	7.67	-38.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020286915	0	43	-1.0	-38.27	367.10	8.06	-30.21
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020286915	1	43	-1.0	-38.32	367.15	8.08	-30.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020286916	0	40	-1.0	-38.85	351.75	7.23	-31.62
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020286916	1	40	-1.0	-38.81	351.81	7.26	-31.55
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286917	0	51	-1.0	-40.59	399.13	8.53	-32.06
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286917	1	51	-1.0	-40.57	399.18	8.54	-32.03
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286918	0	48	-1.0	-41.70	381.77	8.08	-33.62
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286918	1	48	-1.0	-41.67	381.72	8.06	-33.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020286919	0	50	-1.0	-52.68	385.46	5.95	-46.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020286919	1	50	-1.0	-52.70	385.53	5.96	-46.74
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020286920	0	46	-1.0	-40.81	357.01	6.41	-34.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020286920	1	46	-1.0	-40.84	357.07	6.42	-34.42
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020286921	0	43	-1.0	-43.25	336.60	6.11	-37.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020286921	1	43	-1.0	-43.26	336.54	6.08	-37.18
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC12CC2	REAL300020286922	0	50	-1.0	-42.37	384.19	8.84	-33.53
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC12CC2	REAL300020286922	1	50	-1.0	-42.36	384.23	8.83	-33.53
CC1=CC=C(C2(C)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1	REAL300020286923	0	58	-1.0	-41.88	436.55	10.80	-31.08
CC1=CC=C(C2(C)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020286923	1	58	-1.0	-41.86	436.61	10.82	-31.04
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020286924	0	50	-1.0	-43.96	374.31	7.43	-36.53
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020286924	1	50	-1.0	-43.95	374.37	7.44	-36.51
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020286925	0	47	-1.0	-47.72	356.95	7.67	-40.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020286925	1	47	-1.0	-47.70	357.00	7.68	-40.02
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020286926	0	50	-1.0	-46.74	388.18	4.76	-41.98
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020286926	1	50	-1.0	-46.68	388.24	4.78	-41.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020286927	0	47	-1.0	-47.96	366.68	3.97	-43.99
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020286927	1	47	-1.0	-47.97	366.74	3.99	-43.98
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286928	0	54	-1.0	-42.08	423.43	10.02	-32.06
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286928	1	54	-1.0	-42.07	423.49	10.05	-32.02
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020286929	0	51	-1.0	-41.43	390.28	8.45	-32.98
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020286929	1	51	-1.0	-41.46	390.34	8.46	-33.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020286930	0	48	-1.0	-41.40	378.36	7.75	-33.65
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020286930	1	48	-1.0	-41.47	378.41	7.77	-33.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020286931	0	45	-1.0	-43.33	347.52	4.16	-39.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020286931	1	45	-1.0	-43.36	347.58	4.18	-39.18
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020286932	0	42	-1.0	-47.09	333.34	3.59	-43.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020286932	1	42	-1.0	-47.07	333.39	3.61	-43.46
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020286933	0	49	-1.0	-45.18	382.52	6.36	-38.82
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020286933	1	49	-1.0	-45.18	382.59	6.35	-38.83
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020286934	0	46	-1.0	-43.63	372.05	4.59	-39.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020286934	1	46	-1.0	-43.66	372.10	4.60	-39.06
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020286935	0	43	-1.0	-47.36	341.87	3.74	-43.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020286935	1	43	-1.0	-47.36	341.81	3.72	-43.64
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN=NN1C	REAL300020286936	0	50	-1.0	-47.34	396.37	6.53	-40.81
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN=NN1C	REAL300020286936	1	50	-1.0	-47.35	396.41	6.53	-40.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020286937	0	49	-1.0	-39.60	390.70	7.30	-32.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020286937	1	49	-1.0	-39.62	390.76	7.32	-32.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020286938	0	46	-1.0	-42.21	360.73	6.25	-35.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020286938	1	46	-1.0	-42.22	360.78	6.27	-35.95
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC1CC1	REAL300020286939	0	53	-1.0	-43.78	413.95	8.81	-34.97
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC1CC1	REAL300020286939	1	53	-1.0	-43.68	413.98	8.80	-34.88
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020286940	0	58	-1.0	-39.40	433.99	8.31	-31.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020286940	1	58	-1.0	-39.39	434.05	8.32	-31.07
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020286941	0	55	-1.0	-45.26	405.07	7.75	-37.51
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020286941	1	55	-1.0	-45.26	405.13	7.75	-37.51
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@H]1O	REAL300020286942	0	52	-1.0	-50.68	412.81	4.49	-46.19
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@H]1O	REAL300020286942	1	52	-1.0	-50.68	412.87	4.51	-46.17
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@H]1O	REAL300020286943	0	49	-1.0	-56.96	380.18	3.80	-53.16
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@H]1O	REAL300020286943	1	49	-1.0	-57.01	380.23	3.81	-53.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020286944	0	50	-1.0	-50.20	389.78	6.24	-43.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020286944	1	50	-1.0	-50.21	389.83	6.24	-43.97
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286945	0	51	-1.0	-42.62	416.27	9.07	-33.55
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286945	1	51	-1.0	-42.64	416.33	9.10	-33.54
CC1=CC=C(C2(O)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C2)C=C1	REAL300020286946	0	56	-1.0	-43.92	430.46	7.37	-36.55
CC1=CC=C(C2(O)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C2)C=C1	REAL300020286946	1	56	-1.0	-43.94	430.52	7.38	-36.56
CC1=CC=C(C2(O)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)C=C1	REAL300020286947	0	53	-1.0	-50.83	401.75	6.85	-43.98
CC1=CC=C(C2(O)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)C=C1	REAL300020286947	1	53	-1.0	-50.77	401.66	6.85	-43.92
COC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020286948	0	49	-1.0	-43.41	373.85	9.46	-33.95
COC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020286948	1	49	-1.0	-43.43	373.91	9.47	-33.96
COC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020286949	0	46	-1.0	-45.76	367.24	7.68	-38.08
COC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020286949	1	46	-1.0	-45.81	367.18	7.66	-38.15
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020286950	0	47	-1.0	-39.96	398.29	7.74	-32.22
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020286950	1	47	-1.0	-39.96	398.34	7.75	-32.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020286951	0	44	-1.0	-43.88	371.85	6.59	-37.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020286951	1	44	-1.0	-43.82	371.90	6.61	-37.21
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020286952	0	58	-1.0	-42.48	433.23	8.31	-34.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020286952	1	58	-1.0	-42.48	433.29	8.32	-34.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020286953	0	55	-1.0	-48.20	400.84	7.77	-40.43
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020286953	1	55	-1.0	-48.22	400.89	7.78	-40.44
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020286954	0	59	-1.0	-41.06	415.37	10.98	-30.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020286954	1	59	-1.0	-41.05	415.43	10.99	-30.06
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020286955	0	56	-1.0	-43.08	396.25	10.42	-32.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020286955	1	56	-1.0	-43.03	396.31	10.45	-32.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020286956	0	56	-1.0	-44.36	421.98	10.80	-33.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020286956	1	56	-1.0	-44.32	422.04	10.82	-33.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(N2C=CC=N2)S1	REAL300020286957	0	48	-1.0	-45.72	406.77	7.51	-38.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(N2C=CC=N2)S1	REAL300020286957	1	48	-1.0	-45.69	406.71	7.49	-38.20
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C1	REAL300020286958	0	46	-1.0	-44.72	367.17	8.15	-36.57
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C1	REAL300020286958	1	46	-1.0	-44.72	367.22	8.17	-36.55
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C1	REAL300020286959	0	43	-1.0	-46.15	345.75	6.94	-39.21
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C1	REAL300020286959	1	43	-1.0	-46.16	345.80	6.97	-39.19
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)C1	REAL300020286960	0	50	-1.0	-45.88	397.34	9.26	-36.62
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)C1	REAL300020286960	1	50	-1.0	-45.81	397.38	9.26	-36.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020286961	0	52	-1.0	-43.72	408.72	9.52	-34.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020286961	1	52	-1.0	-43.79	408.77	9.54	-34.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020286962	0	49	-1.0	-48.96	384.88	8.96	-40.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020286962	1	49	-1.0	-48.92	384.93	8.95	-39.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020286963	0	58	-1.0	-42.03	451.40	8.39	-33.64
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020286963	1	58	-1.0	-42.03	451.45	8.41	-33.62
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020286964	0	55	-1.0	-44.10	430.10	7.55	-36.55
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020286964	1	55	-1.0	-44.15	430.17	7.57	-36.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020286965	0	50	-1.0	-46.97	395.06	2.40	-44.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020286965	1	50	-1.0	-46.96	395.11	2.43	-44.53
CCCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286966	0	53	-1.0	-40.69	397.08	8.92	-31.77
CCCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286966	1	53	-1.0	-40.66	397.15	8.92	-31.74
CCCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286967	0	50	-1.0	-41.32	385.73	8.22	-33.10
CCCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286967	1	50	-1.0	-41.32	385.79	8.24	-33.08
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020286968	0	57	-1.0	-41.86	430.71	11.12	-30.74
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020286968	1	57	-1.0	-41.82	430.72	11.11	-30.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020286969	0	52	-1.0	-46.12	413.32	9.77	-36.35
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020286969	1	52	-1.0	-46.14	413.38	9.78	-36.36
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020286970	0	49	-1.0	-41.44	380.67	9.00	-32.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020286970	1	49	-1.0	-41.45	380.73	9.03	-32.42
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020286971	0	49	-1.0	-51.55	408.56	10.29	-41.26
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020286971	1	49	-1.0	-51.50	408.50	10.27	-41.23
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020286972	0	50	-1.0	-48.94	402.00	6.24	-42.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020286972	1	50	-1.0	-48.94	401.94	6.23	-42.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020286973	0	47	-1.0	-51.62	385.31	5.62	-46.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020286973	1	47	-1.0	-51.66	385.26	5.59	-46.07
C#CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286974	0	51	-1.0	-44.12	408.65	7.69	-36.43
C#CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286974	1	51	-1.0	-44.13	408.71	7.71	-36.42
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286975	0	48	-1.0	-47.74	376.73	6.75	-40.99
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286975	1	48	-1.0	-47.68	376.79	6.77	-40.91
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020286976	0	49	-1.0	-40.58	381.05	7.75	-32.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020286976	1	49	-1.0	-40.53	381.10	7.76	-32.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020286977	0	46	-1.0	-41.11	359.83	7.24	-33.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020286977	1	46	-1.0	-41.11	359.88	7.27	-33.84
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCSCC1	REAL300020286978	0	53	-1.0	-41.97	408.36	10.19	-31.78
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCSCC1	REAL300020286978	1	53	-1.0	-41.89	408.38	10.19	-31.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020286979	0	50	-1.0	-49.88	403.43	5.47	-44.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020286979	1	50	-1.0	-49.96	403.38	5.46	-44.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020286980	0	47	-1.0	-52.57	385.64	4.64	-47.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020286980	1	47	-1.0	-52.58	385.58	4.61	-47.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020286981	0	57	-1.0	-41.59	437.53	11.35	-30.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020286981	1	57	-1.0	-41.60	437.58	11.36	-30.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020286982	0	54	-1.0	-41.81	423.44	10.41	-31.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020286982	1	54	-1.0	-41.81	423.51	10.43	-31.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020286983	0	48	-1.0	-42.46	394.62	8.78	-33.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020286983	1	48	-1.0	-42.43	394.68	8.80	-33.63
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020286984	0	45	-1.0	-42.95	365.45	7.91	-35.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020286984	1	45	-1.0	-42.95	365.50	7.93	-35.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020286985	0	52	-1.0	-44.24	419.05	9.12	-35.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020286985	1	52	-1.0	-44.21	419.00	9.09	-35.12
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020286986	0	54	-1.0	-44.06	407.58	9.76	-34.30
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020286986	1	54	-1.0	-44.08	407.64	9.78	-34.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020286987	0	51	-1.0	-42.61	385.95	9.00	-33.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020286987	1	51	-1.0	-42.67	386.01	9.03	-33.64
COC(=O)C1(CF)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286988	0	51	-1.0	-48.00	400.78	7.65	-40.35
COC(=O)C1(CF)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286988	1	51	-1.0	-47.98	400.84	7.67	-40.31
COC(=O)C1(CF)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286989	0	48	-1.0	-53.08	372.81	7.07	-46.01
COC(=O)C1(CF)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286989	1	48	-1.0	-53.08	372.85	7.08	-46.00
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286990	0	49	-1.0	-43.42	400.58	8.83	-34.59
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286990	1	49	-1.0	-43.41	400.52	8.81	-34.60
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1=O	REAL300020286991	0	48	-1.0	-46.93	381.67	6.47	-40.46
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1=O	REAL300020286991	1	48	-1.0	-46.94	381.72	6.48	-40.46
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1=O	REAL300020286992	0	45	-1.0	-46.86	361.59	6.15	-40.71
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1=O	REAL300020286992	1	45	-1.0	-46.87	361.64	6.15	-40.72
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286993	0	46	-1.0	-41.73	361.28	5.72	-36.01
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286993	1	46	-1.0	-41.74	361.34	5.74	-36.00
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020286994	0	43	-1.0	-46.03	334.13	4.80	-41.23
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020286994	1	43	-1.0	-46.02	334.07	4.78	-41.24
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020286995	0	50	-1.0	-42.26	392.60	7.41	-34.85
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020286995	1	50	-1.0	-42.27	392.64	7.40	-34.87
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020286996	0	56	-1.0	-41.48	444.63	8.75	-32.73
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020286996	1	56	-1.0	-41.49	444.69	8.76	-32.73
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020286997	0	53	-1.0	-44.20	415.47	7.72	-36.48
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020286997	1	53	-1.0	-44.18	415.41	7.70	-36.48
CC1=CC(Cl)=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020286998	0	49	-1.0	-44.15	387.91	8.40	-35.75
CC1=CC(Cl)=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020286998	1	49	-1.0	-44.16	387.97	8.43	-35.73
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020286999	0	49	-1.0	-40.66	388.93	9.20	-31.46
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020286999	1	49	-1.0	-40.64	388.99	9.21	-31.43
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2=C1	REAL300020287000	0	46	-1.0	-43.63	361.83	8.17	-35.46
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2=C1	REAL300020287000	1	46	-1.0	-43.62	361.77	8.15	-35.47
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020287001	0	49	-1.0	-46.37	371.39	6.39	-39.98
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020287001	1	49	-1.0	-46.39	371.44	6.41	-39.98
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020287002	0	46	-1.0	-47.61	352.99	5.38	-42.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020287002	1	46	-1.0	-47.55	352.95	5.35	-42.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020287003	0	53	-1.0	-51.00	400.54	4.14	-46.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020287003	1	53	-1.0	-51.06	400.61	4.17	-46.89
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020287004	0	51	-1.0	-42.37	378.26	7.80	-34.57
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020287004	1	51	-1.0	-42.31	378.31	7.82	-34.49
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020287005	0	48	-1.0	-48.89	371.26	8.15	-40.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020287005	1	48	-1.0	-48.94	371.33	8.16	-40.78
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020287006	0	58	-1.0	-41.66	440.68	11.81	-29.85
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020287006	1	58	-1.0	-41.67	440.74	11.83	-29.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020287007	0	55	-1.0	-44.33	407.88	9.32	-35.01
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020287007	1	55	-1.0	-44.33	407.93	9.35	-34.98
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020287008	0	59	-1.0	-39.48	416.39	9.07	-30.41
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020287008	1	59	-1.0	-39.44	416.44	9.08	-30.36
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020287009	0	56	-1.0	-42.24	392.12	8.65	-33.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020287009	1	56	-1.0	-42.23	392.17	8.67	-33.56
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287010	0	52	-1.0	-40.04	393.68	7.17	-32.87
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287010	1	52	-1.0	-40.05	393.74	7.18	-32.87
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287011	0	49	-1.0	-41.07	372.31	6.34	-34.73
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287011	1	49	-1.0	-41.07	372.37	6.36	-34.71
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CCO1	REAL300020287012	0	56	-1.0	-41.10	427.38	8.84	-32.26
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CCO1	REAL300020287012	1	56	-1.0	-41.10	427.41	8.84	-32.26
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020287013	0	55	-1.0	-42.48	385.06	9.05	-33.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020287013	1	55	-1.0	-42.50	385.12	9.06	-33.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020287014	0	52	-1.0	-41.74	380.64	8.81	-32.93
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020287014	1	52	-1.0	-41.73	380.70	8.84	-32.89
COC1=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=CC=C1C	REAL300020287015	0	49	-1.0	-43.27	396.29	9.25	-34.02
COC1=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=CC=C1C	REAL300020287015	1	49	-1.0	-43.30	396.23	9.23	-34.07
COC1=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=CC=C1C	REAL300020287016	0	46	-1.0	-45.80	373.83	8.57	-37.23
COC1=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=CC=C1C	REAL300020287016	1	46	-1.0	-45.80	373.77	8.54	-37.26
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020287017	0	49	-1.0	-49.83	389.13	4.96	-44.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020287017	1	49	-1.0	-49.79	389.18	4.98	-44.81
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020287018	0	46	-1.0	-46.94	369.26	5.64	-41.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020287018	1	46	-1.0	-46.97	369.20	5.61	-41.36
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020287019	0	49	-1.0	-44.13	392.95	8.37	-35.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020287019	1	49	-1.0	-44.13	393.01	8.40	-35.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020287020	0	49	-1.0	-46.80	394.06	8.32	-38.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020287020	1	49	-1.0	-46.80	394.12	8.33	-38.47
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020287021	0	46	-1.0	-49.67	378.24	7.35	-42.32
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020287021	1	46	-1.0	-49.69	378.30	7.38	-42.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020287022	0	56	-1.0	-43.29	426.71	11.38	-31.91
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020287022	1	56	-1.0	-43.27	426.77	11.40	-31.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020287023	0	53	-1.0	-48.62	397.42	10.13	-38.49
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020287023	1	53	-1.0	-48.44	398.93	10.06	-38.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020287024	0	59	-1.0	-40.71	426.35	8.51	-32.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020287024	1	59	-1.0	-40.72	426.41	8.53	-32.19
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020287025	0	56	-1.0	-42.86	404.88	7.73	-35.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020287025	1	56	-1.0	-42.85	404.94	7.76	-35.09
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020287026	0	53	-1.0	-45.12	382.69	4.40	-40.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020287026	1	53	-1.0	-45.11	382.75	4.42	-40.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020287027	0	50	-1.0	-44.53	385.29	4.41	-40.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020287027	1	50	-1.0	-44.56	385.36	4.45	-40.11
CCC=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287028	0	49	-1.0	-41.72	376.67	8.45	-33.27
CCC=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287028	1	49	-1.0	-41.71	376.72	8.48	-33.23
CCC=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287029	0	46	-1.0	-42.15	361.91	7.71	-34.44
CCC=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287029	1	46	-1.0	-42.14	361.86	7.69	-34.45
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020287030	0	53	-1.0	-42.25	409.21	10.54	-31.71
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020287030	1	53	-1.0	-42.20	409.24	10.54	-31.66
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020287031	0	50	-1.0	-48.04	400.27	2.55	-45.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020287031	1	50	-1.0	-48.05	400.33	2.57	-45.48
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020287032	0	47	-1.0	-52.37	373.92	1.93	-50.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020287032	1	47	-1.0	-52.39	373.83	1.93	-50.46
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020287033	0	52	-1.0	-41.39	400.43	5.05	-36.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020287033	1	52	-1.0	-41.38	400.49	5.07	-36.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020287034	0	49	-1.0	-43.32	374.23	4.43	-38.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020287034	1	49	-1.0	-43.35	374.28	4.45	-38.90
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020287035	0	56	-1.0	-42.73	429.43	6.81	-35.92
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020287035	1	56	-1.0	-42.74	429.43	6.80	-35.94
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020287036	0	48	-1.0	-42.94	364.34	7.06	-35.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020287036	1	48	-1.0	-42.94	364.40	7.07	-35.87
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020287037	0	45	-1.0	-50.23	336.39	6.45	-43.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020287037	1	45	-1.0	-50.26	336.45	6.48	-43.78
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287038	0	55	0.0	-66.39	404.85	8.94	-57.45
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287038	1	55	0.0	-68.08	407.24	9.25	-58.83
C=CCN1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287038	1	54	-1.0	-40.35	414.02	6.64	-33.71
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287039	0	52	0.0	-64.80	375.90	7.20	-57.60
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287039	1	52	0.0	-62.73	390.70	8.18	-54.55
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287039	1	52	0.0	-64.77	375.95	7.22	-57.55
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287039	1	52	0.0	-62.78	390.75	8.20	-54.58
C#CCN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=N1	REAL300020287040	0	44	-1.0	-49.19	372.88	8.43	-40.76
C#CCN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=N1	REAL300020287040	1	44	-1.0	-49.23	372.82	8.41	-40.82
C#CCN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=N1	REAL300020287041	0	41	-1.0	-50.96	347.99	7.74	-43.22
C#CCN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=N1	REAL300020287041	1	41	-1.0	-50.98	347.94	7.71	-43.27
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C=N1	REAL300020287042	0	48	-1.0	-51.04	400.43	10.33	-40.71
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C=N1	REAL300020287042	1	48	-1.0	-51.06	400.41	10.34	-40.72
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020287043	0	59	0.0	-67.62	418.71	8.79	-58.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020287043	1	59	0.0	-67.60	418.77	8.81	-58.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020287044	0	56	0.0	-70.73	399.86	8.38	-62.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020287044	1	56	0.0	-70.80	399.91	8.39	-62.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020287045	0	55	-1.0	-41.61	387.41	8.16	-33.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020287045	1	55	-1.0	-41.55	387.47	8.17	-33.38
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020287046	0	52	-1.0	-45.49	371.17	7.51	-37.98
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020287046	1	52	-1.0	-45.47	371.23	7.54	-37.93
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C)C1CCOC1	REAL300020287047	0	49	-1.0	-42.19	361.94	6.49	-35.70
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C)C1CCOC1	REAL300020287047	1	49	-1.0	-42.22	362.00	6.51	-35.71
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1CCOC1	REAL300020287048	0	46	-1.0	-46.90	337.00	5.16	-41.74
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1CCOC1	REAL300020287048	1	46	-1.0	-47.17	335.56	5.12	-42.05
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C)C1CCOC1	REAL300020287049	0	53	-1.0	-43.56	391.36	7.74	-35.82
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C)C1CCOC1	REAL300020287049	1	53	-1.0	-43.53	391.39	7.74	-35.79
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020287050	0	55	-1.0	-41.44	399.65	9.52	-31.92
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020287050	1	55	-1.0	-41.40	399.71	9.54	-31.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020287051	0	52	-1.0	-48.04	370.55	9.13	-38.91
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020287051	1	52	-1.0	-48.03	370.59	9.13	-38.90
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020287052	0	54	-1.0	-46.61	429.70	5.88	-40.73
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020287052	1	54	-1.0	-46.62	429.76	5.89	-40.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020287053	0	51	-1.0	-47.51	402.75	5.07	-42.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020287053	1	51	-1.0	-47.47	402.81	5.09	-42.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020287054	0	55	-1.0	-42.65	410.56	10.46	-32.19
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020287054	1	55	-1.0	-42.71	410.62	10.47	-32.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020287055	0	52	-1.0	-43.43	400.65	9.83	-33.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020287055	1	52	-1.0	-43.46	400.71	9.85	-33.61
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020287056	0	48	-1.0	-44.50	398.73	7.24	-37.26
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020287056	1	48	-1.0	-44.50	398.79	7.26	-37.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020287057	0	45	-1.0	-47.21	375.09	6.02	-41.19
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020287057	1	45	-1.0	-47.19	375.15	6.04	-41.15
CCN(CCOCCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287058	0	55	-1.0	-41.02	430.47	5.96	-35.06
CCN(CCOCCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287058	1	55	-1.0	-41.02	430.52	5.97	-35.05
CCN(CCOCCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287059	0	52	-1.0	-44.78	395.89	4.39	-40.39
CCN(CCOCCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287059	1	52	-1.0	-44.78	395.95	4.42	-40.36
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287060	0	53	-1.0	-42.55	420.96	8.06	-34.49
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287060	1	53	-1.0	-42.59	421.02	8.08	-34.51
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287061	0	50	-1.0	-43.06	384.16	6.71	-36.35
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287061	1	50	-1.0	-43.05	384.22	6.74	-36.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020287062	0	54	-1.0	-51.43	406.08	5.02	-46.41
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020287062	1	54	-1.0	-51.50	406.14	5.05	-46.45
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287063	0	57	-1.0	-40.17	434.84	7.69	-32.48
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287063	1	57	-1.0	-40.19	434.90	7.71	-32.48
CCN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287064	0	54	-1.0	-44.81	397.59	7.04	-37.77
CCN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287064	1	54	-1.0	-44.78	397.36	7.04	-37.74
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020287065	0	52	-1.0	-52.32	401.79	6.95	-45.37
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020287065	1	52	-1.0	-52.32	401.84	6.94	-45.38
C=CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287066	0	49	-1.0	-40.54	377.67	8.32	-32.22
C=CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287066	1	49	-1.0	-40.57	377.73	8.33	-32.24
C=CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287067	0	46	-1.0	-44.04	350.18	7.40	-36.64
C=CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287067	1	46	-1.0	-44.06	350.12	7.37	-36.69
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020287068	0	53	-1.0	-41.79	417.22	10.65	-31.14
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020287068	1	53	-1.0	-41.79	417.33	10.63	-31.16
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020287069	0	57	-1.0	-41.22	424.86	9.08	-32.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020287069	1	57	-1.0	-41.22	424.92	9.10	-32.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020287070	0	54	-1.0	-43.10	408.33	7.60	-35.50
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020287070	1	54	-1.0	-43.09	408.39	7.63	-35.46
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020287071	0	55	-1.0	-40.78	406.46	7.29	-33.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020287071	1	55	-1.0	-40.81	406.53	7.32	-33.49
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020287072	0	52	-1.0	-46.14	373.06	6.76	-39.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020287072	1	52	-1.0	-46.11	373.12	6.78	-39.33
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020287073	0	47	-1.0	-41.55	378.96	4.54	-37.01
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020287073	1	47	-1.0	-41.51	379.01	4.55	-36.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020287074	0	44	-1.0	-44.10	348.31	4.01	-40.09
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020287074	1	44	-1.0	-44.07	348.31	4.00	-40.07
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020287075	0	51	-1.0	-43.01	404.61	6.46	-36.55
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020287075	1	51	-1.0	-43.03	404.66	6.45	-36.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020287076	0	54	-1.0	-39.75	386.39	5.64	-34.11
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020287076	1	55	0.0	-62.64	412.44	8.97	-53.67
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020287076	1	55	0.0	-62.93	414.25	9.03	-53.90
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020287076	1	54	-1.0	-39.71	386.45	5.66	-34.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020287077	0	52	0.0	-58.78	390.68	8.20	-50.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020287077	1	52	0.0	-59.40	390.64	8.20	-51.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020287077	1	52	0.0	-58.77	390.74	8.23	-50.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020287077	1	52	0.0	-59.40	390.70	8.22	-51.18
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020287077	1	51	-1.0	-41.62	386.51	5.91	-35.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020287077	1	51	-1.0	-41.62	386.57	5.93	-35.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020287078	0	57	-1.0	-40.14	433.89	6.19	-33.95
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020287078	1	57	-1.0	-40.18	433.94	6.21	-33.97
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020287079	0	54	-1.0	-46.74	387.14	4.86	-41.88
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020287079	1	54	-1.0	-46.77	387.21	4.86	-41.91
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020287080	0	54	-1.0	-44.16	405.36	8.56	-35.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020287080	1	54	-1.0	-44.19	405.42	8.59	-35.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020287081	0	49	-1.0	-42.37	399.09	10.04	-32.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020287081	1	49	-1.0	-42.40	399.15	10.06	-32.34
COC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020287082	0	56	-1.0	-50.39	424.65	10.01	-40.38
COC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020287082	1	56	-1.0	-50.44	424.70	10.03	-40.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020287083	0	48	-1.0	-39.88	387.50	8.22	-31.66
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020287083	1	48	-1.0	-39.89	387.55	8.24	-31.65
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020287084	0	45	-1.0	-41.29	360.95	7.25	-34.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020287084	1	45	-1.0	-41.29	361.00	7.28	-34.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020287085	0	51	-1.0	-41.01	382.10	8.84	-32.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020287085	1	51	-1.0	-41.02	382.15	8.86	-32.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020287086	0	48	-1.0	-41.50	367.71	7.75	-33.75
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020287086	1	48	-1.0	-41.46	367.77	7.77	-33.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020287087	0	61	-1.0	-41.76	442.28	10.56	-31.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020287087	1	61	-1.0	-41.78	442.34	10.58	-31.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020287088	0	58	-1.0	-43.59	426.22	9.86	-33.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020287088	1	58	-1.0	-43.63	426.28	9.89	-33.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020287089	0	49	-1.0	-47.77	408.33	11.29	-36.48
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020287089	1	49	-1.0	-47.75	408.27	11.26	-36.49
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020287090	0	45	-1.0	-40.07	360.80	7.00	-33.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020287090	1	45	-1.0	-40.08	360.86	7.01	-33.07
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020287091	0	42	-1.0	-47.41	328.76	6.81	-40.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020287091	1	42	-1.0	-47.44	328.67	6.81	-40.63
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1C	REAL300020287092	0	49	-1.0	-42.69	384.61	9.04	-33.65
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1C	REAL300020287092	1	49	-1.0	-42.68	384.65	9.03	-33.65
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287093	0	55	-1.0	-40.91	440.99	10.76	-30.15
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287093	1	55	-1.0	-40.91	441.05	10.78	-30.13
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287094	0	52	-1.0	-42.98	415.96	10.19	-32.79
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287094	1	52	-1.0	-42.98	415.90	10.17	-32.81
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020287095	0	49	-1.0	-46.11	403.03	10.51	-35.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020287095	1	49	-1.0	-46.09	402.98	10.49	-35.60
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020287096	0	60	-1.0	-38.54	428.55	9.54	-29.00
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020287096	1	60	-1.0	-38.56	428.60	9.56	-29.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020287097	0	57	-1.0	-40.78	411.00	8.64	-32.14
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020287097	1	57	-1.0	-40.81	411.06	8.66	-32.15
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020287098	0	52	-1.0	-40.20	393.27	8.80	-31.40
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020287098	1	52	-1.0	-40.20	393.33	8.82	-31.38
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020287099	0	49	-1.0	-47.17	364.53	8.34	-38.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020287099	1	49	-1.0	-47.12	364.61	8.35	-38.77
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020287100	0	56	-1.0	-41.47	424.38	10.82	-30.65
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020287100	1	56	-1.0	-41.46	424.39	10.79	-30.67
CCC1COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287101	0	52	-1.0	-41.33	374.83	6.67	-34.66
CCC1COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287101	1	52	-1.0	-41.32	374.88	6.69	-34.63
CCC1COCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287102	0	49	-1.0	-43.00	369.57	5.76	-37.24
CCC1COCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287102	1	49	-1.0	-42.98	369.62	5.78	-37.20
CCC1COCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020287103	0	56	-1.0	-41.18	427.07	9.31	-31.87
CCC1COCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020287103	1	56	-1.0	-41.19	426.90	9.29	-31.90
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020287104	0	61	-1.0	-41.30	424.04	10.93	-30.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020287104	1	61	-1.0	-41.28	424.10	10.95	-30.33
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020287105	0	58	-1.0	-42.45	402.19	9.98	-32.47
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020287105	1	58	-1.0	-42.43	402.25	10.01	-32.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020287106	0	54	-1.0	-61.24	394.70	5.78	-55.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020287106	1	54	-1.0	-61.17	394.64	5.79	-55.38
CC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287107	0	49	-1.0	-40.39	386.19	6.33	-34.06
CC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287107	1	49	-1.0	-40.41	386.24	6.34	-34.07
CC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287108	0	46	-1.0	-46.24	351.63	5.89	-40.35
CC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287108	1	46	-1.0	-46.21	351.69	5.90	-40.31
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CCO1	REAL300020287109	0	53	-1.0	-42.41	408.81	8.30	-34.11
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CCO1	REAL300020287109	1	53	-1.0	-42.32	408.86	8.29	-34.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020287110	0	49	-1.0	-44.17	379.27	8.84	-35.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020287110	1	49	-1.0	-44.21	379.33	8.85	-35.36
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020287111	0	56	-1.0	-40.08	412.06	10.38	-29.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020287111	1	56	-1.0	-40.08	412.11	10.40	-29.68
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020287112	0	53	-1.0	-44.39	385.99	9.69	-34.70
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020287112	1	53	-1.0	-44.45	386.05	9.72	-34.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020287113	0	53	-1.0	-47.78	416.21	3.23	-44.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020287113	1	53	-1.0	-47.78	416.27	3.24	-44.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020287114	0	50	-1.0	-48.33	399.55	2.50	-45.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020287114	1	50	-1.0	-48.36	399.61	2.52	-45.84
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020287115	0	51	-1.0	-43.57	406.44	9.79	-33.78
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020287115	1	51	-1.0	-43.57	406.50	9.81	-33.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020287116	0	48	-1.0	-44.32	393.90	8.86	-35.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020287116	1	48	-1.0	-44.35	393.96	8.88	-35.47
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020287117	0	54	-1.0	-44.55	411.44	1.93	-42.62
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020287117	1	54	-1.0	-44.60	411.49	1.94	-42.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020287118	0	51	-1.0	-44.67	394.17	1.19	-43.48
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020287118	1	51	-1.0	-44.66	394.23	1.21	-43.45
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020287119	0	46	-1.0	-39.58	365.69	7.19	-32.39
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020287119	1	46	-1.0	-39.64	365.74	7.21	-32.43
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020287120	0	43	-1.0	-44.27	321.94	5.20	-39.07
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020287120	1	43	-1.0	-44.30	322.00	5.20	-39.10
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC[C@H]1C	REAL300020287121	0	50	-1.0	-41.67	385.07	7.69	-33.98
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC[C@H]1C	REAL300020287121	1	50	-1.0	-41.74	385.09	7.68	-34.06
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287122	0	56	-1.0	-48.32	438.21	9.51	-38.81
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287122	1	56	-1.0	-48.34	438.27	9.53	-38.81
C=CCCC1(C#N)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287123	0	53	-1.0	-53.56	408.39	8.97	-44.59
C=CCCC1(C#N)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287123	1	53	-1.0	-53.59	408.45	8.97	-44.62
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287124	0	55	-1.0	-40.78	433.23	10.14	-30.64
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287124	1	55	-1.0	-40.80	433.29	10.16	-30.64
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287125	0	52	-1.0	-44.83	405.26	8.99	-35.84
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287125	1	52	-1.0	-44.81	405.21	8.96	-35.85
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020287126	0	58	-1.0	-39.62	416.30	10.41	-29.21
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020287126	1	58	-1.0	-39.65	416.36	10.43	-29.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020287127	0	55	-1.0	-47.55	384.37	10.00	-37.55
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020287127	1	55	-1.0	-47.56	384.51	10.02	-37.54
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287128	0	52	-1.0	-40.52	418.24	9.53	-30.99
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287128	1	52	-1.0	-40.56	418.29	9.55	-31.01
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287129	0	49	-1.0	-43.74	390.26	8.38	-35.36
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287129	1	49	-1.0	-43.73	390.20	8.35	-35.38
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020287130	0	50	-1.0	-49.14	400.25	6.10	-43.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020287130	1	50	-1.0	-49.12	400.30	6.11	-43.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020287131	0	50	-1.0	-44.09	395.41	5.82	-38.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020287131	1	50	-1.0	-44.07	395.46	5.84	-38.23
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020287132	0	47	-1.0	-47.20	373.96	4.89	-42.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020287132	1	47	-1.0	-47.22	374.01	4.91	-42.31
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020287133	0	55	-1.0	-40.30	394.15	9.10	-31.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020287133	1	55	-1.0	-40.31	394.20	9.12	-31.19
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020287134	0	52	-1.0	-42.77	379.19	8.42	-34.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020287134	1	52	-1.0	-42.78	379.24	8.44	-34.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020287135	0	50	-1.0	-49.52	409.24	2.34	-47.18
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020287135	1	50	-1.0	-49.50	409.30	2.36	-47.14
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020287136	0	47	-1.0	-55.38	378.21	1.84	-53.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020287136	1	47	-1.0	-55.44	378.27	1.85	-53.59
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020287137	0	48	-1.0	-40.33	392.70	8.08	-32.25
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020287137	1	48	-1.0	-40.34	392.75	8.09	-32.25
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020287138	0	45	-1.0	-45.65	358.08	7.60	-38.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020287138	1	45	-1.0	-45.65	358.10	7.60	-38.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020287139	0	45	-1.0	-41.87	373.99	7.27	-34.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020287139	1	45	-1.0	-41.85	374.04	7.29	-34.56
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020287140	0	47	-1.0	-44.03	374.56	7.32	-36.71
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020287140	1	47	-1.0	-44.08	374.62	7.33	-36.75
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020287141	0	44	-1.0	-46.14	353.13	6.57	-39.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020287141	1	44	-1.0	-46.10	353.07	6.54	-39.56
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020287142	0	51	-1.0	-43.32	407.65	5.29	-38.03
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020287142	1	51	-1.0	-43.26	407.70	5.30	-37.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020287143	0	48	-1.0	-44.03	384.80	4.49	-39.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020287143	1	48	-1.0	-44.10	384.75	4.47	-39.63
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020287144	0	58	-1.0	-43.94	451.25	2.44	-41.50
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020287144	1	58	-1.0	-43.91	451.30	2.46	-41.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020287144	1	59	0.0	-67.83	453.73	4.45	-63.38
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020287145	0	55	-1.0	-46.71	425.44	1.77	-44.94
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020287145	1	55	-1.0	-46.74	425.49	1.80	-44.94
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020287145	1	56	0.0	-66.71	432.22	3.66	-63.05
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020287146	0	52	-1.0	-42.28	388.88	5.01	-37.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020287146	1	52	-1.0	-42.26	388.94	5.02	-37.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020287147	0	49	-1.0	-46.63	366.40	4.37	-42.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020287147	1	49	-1.0	-46.65	366.47	4.39	-42.26
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020287148	0	56	-1.0	-43.22	415.72	6.93	-36.29
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020287148	1	56	-1.0	-43.19	415.77	6.92	-36.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020287149	0	56	-1.0	-48.75	410.51	9.01	-39.74
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020287149	1	56	-1.0	-48.75	410.56	9.03	-39.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020287150	0	53	-1.0	-53.02	395.47	8.20	-44.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020287150	1	53	-1.0	-53.04	395.53	8.22	-44.82
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020287151	0	52	-1.0	-53.53	384.67	3.44	-50.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020287151	1	52	-1.0	-53.56	384.72	3.45	-50.11
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020287152	0	49	-1.0	-60.71	351.01	2.67	-58.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020287152	1	49	-1.0	-60.74	351.07	2.70	-58.04
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020287153	0	49	-1.0	-41.51	378.35	6.32	-35.19
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020287153	1	49	-1.0	-41.49	378.41	6.33	-35.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020287154	0	46	-1.0	-48.21	352.28	5.75	-42.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020287154	1	46	-1.0	-48.24	352.35	5.75	-42.49
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020287155	0	53	-1.0	-42.78	409.78	8.36	-34.42
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020287155	1	53	-1.0	-42.74	409.82	8.36	-34.38
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287156	0	47	-1.0	-42.96	364.64	7.81	-35.15
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287156	1	47	-1.0	-43.02	364.72	7.82	-35.20
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287157	0	44	-1.0	-45.89	340.70	6.86	-39.03
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287157	1	44	-1.0	-45.89	340.64	6.84	-39.05
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020287158	0	51	-1.0	-44.10	397.13	9.95	-34.15
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020287158	1	51	-1.0	-44.09	397.17	9.94	-34.15
CC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCO2)S1	REAL300020287159	0	50	-1.0	-48.93	401.90	7.96	-40.97
CC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCO2)S1	REAL300020287159	1	50	-1.0	-48.90	401.95	7.98	-40.92
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020287160	0	51	-1.0	-43.58	422.22	9.71	-33.87
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020287160	1	51	-1.0	-43.50	422.27	9.72	-33.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020287161	0	48	-1.0	-44.30	400.07	8.95	-35.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020287161	1	48	-1.0	-44.33	400.13	8.97	-35.36
CNC(=O)C1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287162	0	55	-1.0	-44.51	417.64	6.12	-38.39
CNC(=O)C1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287162	1	55	-1.0	-44.55	417.70	6.14	-38.41
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287163	0	52	-1.0	-50.61	392.96	5.60	-45.01
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287163	1	52	-1.0	-50.56	393.02	5.63	-44.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020287164	0	53	-1.0	-50.08	418.03	4.33	-45.75
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020287164	1	53	-1.0	-50.11	418.08	4.34	-45.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020287165	0	50	-1.0	-53.86	381.24	3.86	-50.00
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020287165	1	50	-1.0	-53.87	381.29	3.87	-50.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020287166	0	44	-1.0	-41.86	381.96	6.76	-35.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020287166	1	44	-1.0	-41.84	382.02	6.79	-35.05
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287167	0	52	-1.0	-41.21	424.66	9.91	-31.30
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287167	1	52	-1.0	-41.19	424.72	9.92	-31.27
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287168	0	49	-1.0	-45.06	388.26	8.87	-36.19
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287168	1	49	-1.0	-45.04	388.20	8.85	-36.19
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020287169	0	56	-1.0	-41.11	409.16	3.67	-37.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020287169	1	56	-1.0	-41.13	409.22	3.69	-37.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020287170	0	53	-1.0	-43.36	393.04	3.05	-40.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020287170	1	53	-1.0	-43.35	393.10	3.08	-40.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020287171	0	57	0.0	-63.11	441.37	7.71	-55.40
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020287171	1	57	0.0	-63.10	441.32	7.70	-55.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020287172	0	54	0.0	-63.00	420.96	7.00	-56.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020287172	1	54	0.0	-63.00	420.91	6.97	-56.03
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020287173	0	52	-1.0	-42.36	396.24	9.68	-32.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020287173	1	52	-1.0	-42.35	396.30	9.70	-32.65
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020287174	0	49	-1.0	-44.12	376.82	8.79	-35.33
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020287174	1	49	-1.0	-44.10	376.87	8.80	-35.30
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020287175	0	56	-1.0	-42.86	438.83	8.04	-34.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020287175	1	56	-1.0	-42.87	438.89	8.06	-34.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020287176	0	53	-1.0	-45.32	410.70	7.08	-38.24
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020287176	1	53	-1.0	-45.35	410.76	7.11	-38.24
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020287177	0	58	-1.0	-40.81	428.54	5.93	-34.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020287177	1	58	-1.0	-40.80	428.60	5.95	-34.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020287178	0	55	-1.0	-42.90	401.80	5.31	-37.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020287178	1	55	-1.0	-42.85	401.86	5.33	-37.52
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020287179	0	56	-1.0	-44.24	429.48	7.60	-36.64
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020287179	1	56	-1.0	-44.25	429.54	7.62	-36.63
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020287180	0	51	-1.0	-44.98	401.12	4.04	-40.94
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020287180	1	51	-1.0	-44.97	401.16	4.06	-40.91
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020287181	0	48	-1.0	-44.73	382.90	3.09	-41.64
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020287181	1	48	-1.0	-44.71	382.96	3.11	-41.60
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CCC4=N[N-]N=N4)N2CC(C)C)C3)C=C1	REAL300020287182	0	56	-1.0	-40.76	437.16	10.92	-29.84
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CCC4=NN=N[N-]4)N2CC(C)C)C3)C=C1	REAL300020287182	1	56	-1.0	-40.79	437.21	10.94	-29.85
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CC4=N[N-]N=N4)N2CC(C)C)C3)C=C1	REAL300020287183	0	53	-1.0	-42.84	417.37	10.51	-32.33
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CC4=NN=N[N-]4)N2CC(C)C)C3)C=C1	REAL300020287183	1	53	-1.0	-42.85	417.41	10.53	-32.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020287184	0	46	-1.0	-41.77	362.33	7.75	-34.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020287184	1	46	-1.0	-41.81	362.38	7.76	-34.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020287185	0	43	-1.0	-41.54	345.52	6.95	-34.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020287185	1	43	-1.0	-41.55	345.58	6.97	-34.58
COC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020287186	0	50	-1.0	-39.95	384.80	6.82	-33.13
COC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020287186	1	50	-1.0	-39.95	384.86	6.84	-33.11
COC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020287187	0	47	-1.0	-42.15	365.33	6.08	-36.07
COC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020287187	1	47	-1.0	-42.16	365.39	6.10	-36.06
COC12CC(C1)CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CC(C)C)C2	REAL300020287188	0	54	-1.0	-42.37	420.61	9.03	-33.34
COC12CC(C1)CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CC(C)C)C2	REAL300020287188	1	54	-1.0	-42.34	420.79	9.01	-33.33
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020287189	0	54	-1.0	-52.56	404.04	4.52	-48.04
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020287189	1	54	-1.0	-52.54	404.10	4.53	-48.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020287190	0	51	-1.0	-53.73	382.54	3.72	-50.01
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020287190	1	51	-1.0	-53.77	382.59	3.75	-50.02
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020287191	0	58	-1.0	-41.32	407.84	9.69	-31.63
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020287191	1	58	-1.0	-41.31	407.90	9.70	-31.61
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020287192	0	55	-1.0	-44.03	388.43	9.15	-34.88
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020287192	1	55	-1.0	-44.03	388.49	9.17	-34.86
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020287193	0	53	-1.0	-41.85	395.60	8.83	-33.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020287193	1	53	-1.0	-41.86	395.66	8.85	-33.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020287194	0	50	-1.0	-41.98	381.08	8.12	-33.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020287194	1	50	-1.0	-41.99	381.14	8.14	-33.85
CCCCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287195	0	63	-1.0	-40.12	469.26	11.65	-28.47
CCCCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287195	1	63	-1.0	-40.13	469.32	11.67	-28.46
CCCCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287196	0	60	-1.0	-44.07	441.68	10.57	-33.50
CCCCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287196	1	60	-1.0	-44.05	441.74	10.60	-33.45
CCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287197	0	57	-1.0	-40.22	426.26	10.09	-30.13
CCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287197	1	57	-1.0	-40.18	426.32	10.11	-30.07
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287198	0	54	-1.0	-46.62	401.97	9.44	-37.18
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287198	1	54	-1.0	-46.62	402.04	9.45	-37.17
COC(=O)C(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287199	0	57	-1.0	-44.38	424.24	8.53	-35.85
COC(=O)C(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287199	1	57	-1.0	-44.38	424.30	8.55	-35.83
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020287200	0	54	-1.0	-39.95	412.93	8.11	-31.84
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020287200	1	54	-1.0	-39.95	412.98	8.12	-31.83
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020287201	0	51	-1.0	-43.29	391.64	7.32	-35.97
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020287201	1	51	-1.0	-43.29	391.69	7.34	-35.95
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020287202	0	54	-1.0	-44.69	419.03	2.99	-41.70
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020287202	1	54	-1.0	-44.68	419.09	3.02	-41.66
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020287203	0	53	-1.0	-40.22	413.84	8.08	-32.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020287203	1	53	-1.0	-40.20	413.89	8.09	-32.11
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020287204	0	50	-1.0	-41.70	392.87	7.36	-34.34
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020287204	1	50	-1.0	-41.68	392.93	7.39	-34.29
CCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287205	0	48	-1.0	-42.63	365.71	7.48	-35.15
CCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287205	1	48	-1.0	-42.62	365.77	7.50	-35.12
CCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287206	0	45	-1.0	-46.85	352.36	7.15	-39.70
CCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287206	1	45	-1.0	-46.86	352.42	7.18	-39.68
CCC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020287207	0	52	-1.0	-44.25	396.87	9.74	-34.51
CCC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020287207	1	52	-1.0	-44.28	396.90	9.74	-34.54
CCOC1(OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287208	0	59	-1.0	-40.24	448.77	7.97	-32.27
CCOC1(OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287208	1	59	-1.0	-40.19	448.83	7.98	-32.21
CCOC1(OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287209	0	56	-1.0	-42.53	421.86	7.32	-35.21
CCOC1(OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287209	1	56	-1.0	-42.56	421.91	7.34	-35.22
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020287210	0	46	-1.0	-40.32	359.75	7.75	-32.57
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020287210	1	46	-1.0	-40.35	359.81	7.77	-32.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020287211	0	43	-1.0	-45.07	343.68	6.79	-38.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020287211	1	43	-1.0	-45.04	343.74	6.81	-38.23
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020287212	0	50	-1.0	-41.11	380.75	6.42	-34.69
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020287212	1	50	-1.0	-41.09	380.80	6.43	-34.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020287213	0	47	-1.0	-42.65	365.27	5.52	-37.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020287213	1	47	-1.0	-42.65	365.32	5.54	-37.11
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020287214	0	54	-1.0	-43.84	407.97	8.43	-35.41
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020287214	1	54	-1.0	-43.85	408.00	8.43	-35.42
COC(=O)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287215	0	52	-1.0	-46.24	403.41	6.87	-39.37
COC(=O)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287215	1	52	-1.0	-46.22	403.47	6.89	-39.33
COC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287216	0	49	-1.0	-46.39	392.82	5.97	-40.42
COC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287216	1	49	-1.0	-46.40	392.88	5.99	-40.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020287217	0	58	-1.0	-41.61	438.26	8.24	-33.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020287217	1	58	-1.0	-41.60	438.32	8.26	-33.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020287218	0	55	-1.0	-43.94	412.96	7.68	-36.26
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020287218	1	55	-1.0	-43.96	413.02	7.70	-36.26
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020287219	0	58	-1.0	-42.05	433.92	8.17	-33.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020287219	1	58	-1.0	-42.06	433.97	8.18	-33.88
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020287220	0	55	-1.0	-44.96	409.61	7.41	-37.55
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020287220	1	55	-1.0	-44.97	409.67	7.44	-37.53
COC(=O)C(C)(C)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287221	0	55	-1.0	-42.18	415.36	8.26	-33.92
COC(=O)C(C)(C)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287221	1	55	-1.0	-42.17	415.42	8.29	-33.88
COC(=O)C12CC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020287222	0	49	-1.0	-43.49	390.00	7.84	-35.65
COC(=O)C12CC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020287222	1	49	-1.0	-43.50	390.06	7.86	-35.64
COC(=O)C12CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020287223	0	46	-1.0	-42.71	372.79	6.94	-35.77
COC(=O)C12CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020287223	1	46	-1.0	-42.75	372.85	6.97	-35.78
CCC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020287224	0	51	-1.0	-43.91	387.49	11.62	-32.29
CCC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020287224	1	51	-1.0	-43.95	387.55	11.64	-32.31
CCC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020287225	0	48	-1.0	-47.49	383.54	9.90	-37.59
CCC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020287225	1	48	-1.0	-47.50	383.49	9.87	-37.63
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020287226	0	51	-1.0	-43.49	404.63	8.13	-35.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020287226	1	51	-1.0	-43.52	404.68	8.14	-35.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020287227	0	48	-1.0	-47.65	384.24	7.57	-40.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020287227	1	48	-1.0	-47.59	384.19	7.55	-40.04
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287228	0	53	-1.0	-42.82	434.35	9.87	-32.95
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287228	1	53	-1.0	-42.81	434.41	9.88	-32.93
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287229	0	50	-1.0	-47.17	408.71	9.36	-37.81
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287229	1	50	-1.0	-47.24	408.78	9.39	-37.85
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020287230	0	54	-1.0	-45.73	416.07	8.58	-37.15
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020287230	1	54	-1.0	-45.73	416.12	8.60	-37.13
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020287231	0	45	-1.0	-40.67	368.32	7.32	-33.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020287231	1	45	-1.0	-40.71	368.37	7.34	-33.37
COCCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287232	0	57	-1.0	-43.40	429.10	4.22	-39.18
COCCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287232	1	57	-1.0	-43.44	429.16	4.23	-39.21
COCCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287233	0	54	-1.0	-44.18	430.14	4.27	-39.91
COCCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287233	1	54	-1.0	-44.17	430.19	4.29	-39.88
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287234	0	53	-1.0	-56.87	396.84	8.70	-48.17
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287234	1	53	-1.0	-56.90	396.90	8.70	-48.20
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287235	0	52	-1.0	-44.87	402.75	4.42	-40.45
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287235	1	52	-1.0	-44.85	402.81	4.44	-40.41
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287236	0	49	-1.0	-43.91	376.67	3.08	-40.83
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287236	1	49	-1.0	-43.90	376.73	3.11	-40.79
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020287237	0	48	-1.0	-39.92	393.93	8.43	-31.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020287237	1	48	-1.0	-39.91	393.99	8.44	-31.47
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020287238	0	45	-1.0	-42.09	372.42	7.66	-34.43
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020287238	1	45	-1.0	-42.07	372.48	7.69	-34.38
COC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020287239	0	53	-1.0	-44.38	410.21	7.78	-36.60
COC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020287239	1	53	-1.0	-44.42	410.27	7.80	-36.62
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CCC2=C1	REAL300020287240	0	50	-1.0	-47.29	387.08	7.19	-40.10
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CCC2=C1	REAL300020287240	1	50	-1.0	-47.33	387.02	7.16	-40.17
COC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020287241	0	52	-1.0	-41.11	415.50	8.08	-33.03
COC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020287241	1	52	-1.0	-41.14	415.56	8.10	-33.04
COC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=C1	REAL300020287242	0	49	-1.0	-46.72	381.95	7.60	-39.12
COC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=C1	REAL300020287242	1	49	-1.0	-46.72	381.91	7.59	-39.13
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020287243	0	51	-1.0	-41.16	397.74	8.52	-32.64
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020287243	1	51	-1.0	-41.13	397.80	8.53	-32.60
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020287244	0	48	-1.0	-46.99	371.20	8.09	-38.90
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020287244	1	48	-1.0	-47.00	371.25	8.10	-38.90
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020287245	0	61	-1.0	-42.61	459.46	9.18	-33.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020287245	1	61	-1.0	-42.61	459.52	9.19	-33.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020287246	0	58	-1.0	-43.90	441.25	8.18	-35.72
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020287246	1	58	-1.0	-43.90	441.31	8.20	-35.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020287247	0	50	-1.0	-45.18	400.79	5.30	-39.88
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020287247	1	50	-1.0	-45.17	400.85	5.31	-39.86
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020287248	0	47	-1.0	-46.73	375.23	5.26	-41.47
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020287248	1	47	-1.0	-46.80	375.28	5.29	-41.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020287249	0	49	-1.0	-40.40	385.90	8.60	-31.80
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020287249	1	49	-1.0	-40.42	385.96	8.61	-31.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020287250	0	46	-1.0	-46.86	349.18	8.02	-38.84
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020287250	1	46	-1.0	-46.81	349.23	8.03	-38.78
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020287251	0	53	-1.0	-42.30	406.53	10.31	-31.99
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020287251	1	53	-1.0	-42.27	406.56	10.30	-31.97
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC[C@H]1C	REAL300020287252	0	52	-1.0	-40.49	402.93	6.79	-33.70
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC[C@H]1C	REAL300020287252	1	52	-1.0	-40.46	402.99	6.81	-33.65
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC[C@H]1C	REAL300020287253	0	49	-1.0	-42.97	383.45	6.02	-36.95
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC[C@H]1C	REAL300020287253	1	49	-1.0	-42.97	383.50	6.04	-36.93
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CC[C@H]1C	REAL300020287254	0	56	-1.0	-43.14	431.34	8.94	-34.20
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CC[C@H]1C	REAL300020287254	1	56	-1.0	-43.13	431.34	8.93	-34.20
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020287255	0	50	-1.0	-49.65	406.71	8.22	-41.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020287255	1	50	-1.0	-49.68	406.77	8.23	-41.45
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020287256	0	47	-1.0	-54.35	380.18	7.79	-46.56
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020287256	1	47	-1.0	-54.39	380.22	7.80	-46.59
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020287257	0	55	-1.0	-40.59	397.89	10.25	-30.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020287257	1	55	-1.0	-40.59	397.94	10.27	-30.32
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020287258	0	52	-1.0	-45.26	367.20	8.91	-36.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020287258	1	52	-1.0	-45.27	367.25	8.93	-36.34
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020287259	0	48	-1.0	-46.01	357.73	6.02	-39.99
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020287259	1	48	-1.0	-46.05	357.79	6.04	-40.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020287260	0	45	-1.0	-51.90	349.91	6.53	-45.37
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020287260	1	45	-1.0	-51.91	349.95	6.54	-45.37
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020287261	0	48	-1.0	-46.01	357.73	6.02	-39.99
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020287261	1	48	-1.0	-46.05	357.79	6.04	-40.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020287262	0	45	-1.0	-51.90	349.91	6.53	-45.37
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020287262	1	45	-1.0	-51.91	349.95	6.54	-45.37
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2C	REAL300020287263	0	54	-1.0	-44.90	421.24	5.78	-39.12
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2C	REAL300020287263	1	54	-1.0	-44.91	421.30	5.80	-39.11
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020287264	0	50	-1.0	-40.75	385.66	3.96	-36.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020287264	1	50	-1.0	-40.81	385.72	3.97	-36.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020287265	0	47	-1.0	-47.74	349.20	2.51	-45.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020287265	1	47	-1.0	-47.72	349.26	2.54	-45.18
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020287266	0	45	-1.0	-38.30	354.56	6.21	-32.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020287266	1	45	-1.0	-38.30	354.61	6.22	-32.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020287267	0	42	-1.0	-40.41	341.58	6.33	-34.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020287267	1	42	-1.0	-40.39	341.65	6.35	-34.04
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(F)(F)CC1C	REAL300020287268	0	49	-1.0	-41.10	389.59	9.52	-31.58
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(F)(F)CC1C	REAL300020287268	1	49	-1.0	-41.09	389.60	9.51	-31.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020287269	0	51	-1.0	-42.17	409.19	8.38	-33.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020287269	1	51	-1.0	-42.20	409.25	8.40	-33.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020287270	0	48	-1.0	-43.88	385.08	7.60	-36.28
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020287270	1	48	-1.0	-43.89	385.13	7.62	-36.27
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020287271	0	56	-1.0	-42.32	424.23	7.20	-35.12
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020287271	1	56	-1.0	-42.34	424.29	7.21	-35.13
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020287272	0	53	-1.0	-42.85	408.70	6.80	-36.05
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020287272	1	53	-1.0	-42.86	408.64	6.79	-36.07
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020287273	0	52	-1.0	-46.12	383.96	4.36	-41.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020287273	1	52	-1.0	-46.15	384.01	4.39	-41.76
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020287274	0	50	-1.0	-42.14	416.35	9.44	-32.70
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020287274	1	50	-1.0	-42.16	416.40	9.45	-32.71
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020287275	0	47	-1.0	-47.26	385.26	8.91	-38.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020287275	1	47	-1.0	-47.24	385.37	8.91	-38.33
COCCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287276	0	56	-1.0	-42.40	420.53	6.20	-36.20
COCCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287276	1	56	-1.0	-42.43	420.59	6.22	-36.21
COCCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287277	0	53	-1.0	-47.86	396.43	5.59	-42.27
COCCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287277	1	53	-1.0	-47.85	396.49	5.59	-42.26
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287278	0	54	-1.0	-40.21	407.88	8.22	-31.99
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287278	1	54	-1.0	-40.15	407.94	8.24	-31.91
CCCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287279	0	51	-1.0	-44.68	378.06	7.58	-37.10
CCCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287279	1	51	-1.0	-44.70	378.14	7.59	-37.11
CCCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020287280	0	58	-1.0	-41.57	432.53	10.16	-31.41
CCCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020287280	1	58	-1.0	-41.52	432.57	10.16	-31.36
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020287281	0	56	-1.0	-49.15	424.47	7.98	-41.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020287281	1	56	-1.0	-49.11	424.54	8.00	-41.11
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020287282	0	53	-1.0	-45.21	412.55	6.60	-38.61
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020287282	1	53	-1.0	-45.18	412.61	6.62	-38.56
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020287283	0	50	-1.0	-41.06	373.57	8.97	-32.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020287283	1	50	-1.0	-41.03	373.63	8.99	-32.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020287284	0	47	-1.0	-48.45	320.39	6.85	-41.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020287284	1	47	-1.0	-48.44	320.42	6.87	-41.57
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020287285	0	54	-1.0	-42.37	401.17	10.95	-31.42
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020287285	1	54	-1.0	-42.35	401.20	10.95	-31.40
CC1=CC=C(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020287286	0	55	-1.0	-41.18	438.46	9.16	-32.02
CC1=CC=C(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020287286	1	55	-1.0	-41.18	438.51	9.17	-32.01
CC1=CC=C(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020287287	0	52	-1.0	-45.07	402.83	8.99	-36.08
CC1=CC=C(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020287287	1	52	-1.0	-45.03	402.69	9.02	-36.01
CC1=CC=C(C23CC2CN(C2=NN=C(CCC4=N[N-]N=N4)N2CC(C)C)C3)C=C1	REAL300020287288	0	56	-1.0	-41.03	418.59	10.43	-30.60
CC1=CC=C(C23CC2CN(C2=NN=C(CCC4=NN=N[N-]4)N2CC(C)C)C3)C=C1	REAL300020287288	1	56	-1.0	-41.04	418.65	10.45	-30.59
CC1=CC=C(C23CC2CN(C2=NN=C(CC4=N[N-]N=N4)N2CC(C)C)C3)C=C1	REAL300020287289	0	53	-1.0	-42.64	416.43	10.53	-32.11
CC1=CC=C(C23CC2CN(C2=NN=C(CC4=NN=N[N-]4)N2CC(C)C)C3)C=C1	REAL300020287289	1	53	-1.0	-42.64	416.49	10.56	-32.08
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020287290	0	57	-1.0	-47.57	440.87	8.99	-38.58
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020287290	1	57	-1.0	-47.56	440.93	8.99	-38.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020287291	0	54	-1.0	-51.09	426.43	8.17	-42.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020287291	1	54	-1.0	-51.12	426.48	8.19	-42.93
CC1=NN=C([C@H]2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)O1	REAL300020287292	0	50	-1.0	-49.19	393.13	2.21	-46.98
CC1=NN=C([C@H]2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)O1	REAL300020287292	1	50	-1.0	-49.16	393.18	2.22	-46.94
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)O1	REAL300020287293	0	47	-1.0	-51.77	369.59	1.87	-49.90
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)O1	REAL300020287293	1	47	-1.0	-51.80	369.65	1.90	-49.90
COC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287294	0	50	-1.0	-42.47	399.78	9.80	-32.67
COC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287294	1	50	-1.0	-42.48	399.84	9.81	-32.67
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287295	0	47	-1.0	-46.15	376.93	9.09	-37.06
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287295	1	47	-1.0	-46.14	376.87	9.08	-37.06
COC(=O)C[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287296	0	51	-1.0	-44.57	396.27	7.69	-36.88
COC(=O)C[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287296	1	51	-1.0	-44.57	396.33	7.71	-36.86
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287297	0	48	-1.0	-49.12	368.71	7.20	-41.92
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287297	1	48	-1.0	-49.13	368.75	7.22	-41.91
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020287298	0	45	-1.0	-40.37	355.42	7.09	-33.28
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020287298	1	45	-1.0	-40.33	355.47	7.12	-33.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020287299	0	42	-1.0	-43.74	327.90	6.51	-37.23
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020287299	1	42	-1.0	-43.75	327.96	6.51	-37.24
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020287300	0	49	-1.0	-41.37	388.42	9.17	-32.20
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020287300	1	49	-1.0	-41.34	388.44	9.16	-32.18
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020287301	0	54	-1.0	-46.15	388.85	7.55	-38.60
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020287301	1	54	-1.0	-46.13	388.90	7.56	-38.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020287302	0	51	-1.0	-50.69	365.42	7.03	-43.66
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020287302	1	51	-1.0	-50.73	365.48	7.05	-43.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020287303	0	56	-1.0	-41.29	402.12	8.47	-32.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020287303	1	56	-1.0	-41.23	402.18	8.49	-32.74
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020287304	0	53	-1.0	-48.41	386.43	7.36	-41.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020287304	1	53	-1.0	-48.44	386.48	7.37	-41.07
COC(=O)C1=COC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020287305	0	49	-1.0	-47.51	400.37	7.19	-40.32
COC(=O)C1=COC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020287305	1	49	-1.0	-47.53	400.42	7.21	-40.32
COC(=O)C1=COC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020287306	0	46	-1.0	-49.04	381.33	6.33	-42.71
COC(=O)C1=COC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020287306	1	46	-1.0	-49.00	381.38	6.35	-42.65
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020287307	0	61	-1.0	-39.80	427.02	11.99	-27.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020287307	1	61	-1.0	-39.76	427.08	12.00	-27.76
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020287308	0	58	-1.0	-47.21	403.16	11.86	-35.35
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020287308	1	58	-1.0	-47.19	403.21	11.88	-35.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020287309	0	52	-1.0	-48.62	416.52	4.70	-43.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020287309	1	52	-1.0	-48.63	416.58	4.72	-43.91
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020287310	0	50	-1.0	-44.97	375.35	5.63	-39.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020287310	1	50	-1.0	-44.99	375.40	5.64	-39.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020287311	0	47	-1.0	-51.21	364.24	5.44	-45.77
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020287311	1	47	-1.0	-51.22	364.30	5.46	-45.76
C=C1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287312	0	46	-1.0	-40.66	359.07	7.70	-32.96
C=C1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287312	1	46	-1.0	-40.63	359.13	7.72	-32.91
C=C1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287313	0	43	-1.0	-43.72	333.20	6.65	-37.07
C=C1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287313	1	43	-1.0	-43.73	333.14	6.63	-37.10
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020287314	0	50	-1.0	-42.31	387.92	9.44	-32.87
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020287314	1	50	-1.0	-42.36	387.95	9.43	-32.93
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)O1	REAL300020287315	0	50	-1.0	-49.96	381.56	1.94	-48.02
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)O1	REAL300020287315	1	50	-1.0	-49.95	381.61	1.96	-47.99
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)O1	REAL300020287316	0	47	-1.0	-56.31	365.26	2.26	-54.05
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)O1	REAL300020287316	1	47	-1.0	-56.31	365.32	2.29	-54.02
CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287317	0	49	-1.0	-41.11	383.20	6.35	-34.76
CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287317	1	49	-1.0	-41.12	383.26	6.37	-34.75
CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287318	0	46	-1.0	-46.65	339.04	4.81	-41.84
CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287318	1	46	-1.0	-46.65	339.08	4.82	-41.83
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020287319	0	53	-1.0	-44.34	408.84	8.34	-36.00
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020287319	1	53	-1.0	-44.32	408.87	8.33	-35.99
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)[C@H]2COC[C@H]21	REAL300020287320	0	51	-1.0	-41.92	389.95	4.82	-37.10
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)[C@H]2COC[C@H]21	REAL300020287320	1	51	-1.0	-41.88	390.00	4.84	-37.04
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)[C@H]2COC[C@H]21	REAL300020287321	0	48	-1.0	-48.07	363.38	4.36	-43.71
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)[C@H]2COC[C@H]21	REAL300020287321	1	48	-1.0	-48.08	363.42	4.39	-43.69
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020287322	0	56	-1.0	-44.49	437.93	7.04	-37.45
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020287322	1	56	-1.0	-44.51	437.99	7.05	-37.46
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020287323	0	53	-1.0	-50.53	411.40	6.61	-43.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020287323	1	53	-1.0	-50.52	411.45	6.62	-43.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020287324	0	54	-1.0	-48.73	410.02	3.29	-45.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020287324	1	54	-1.0	-48.72	410.09	3.30	-45.42
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020287325	0	52	-1.0	-58.12	375.53	3.53	-54.59
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020287325	1	52	-1.0	-58.11	375.57	3.54	-54.57
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020287326	0	50	-1.0	-42.56	400.72	6.54	-36.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020287326	1	50	-1.0	-42.58	400.78	6.55	-36.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020287327	0	47	-1.0	-46.57	373.30	6.02	-40.55
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020287327	1	47	-1.0	-46.62	373.06	6.04	-40.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020287328	0	51	-1.0	-39.20	401.84	8.31	-30.89
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020287328	1	51	-1.0	-39.20	401.90	8.32	-30.88
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020287329	0	48	-1.0	-40.07	380.66	7.50	-32.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020287329	1	48	-1.0	-40.08	380.72	7.53	-32.55
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020287330	0	56	-1.0	-42.35	425.94	8.30	-34.05
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020287330	1	56	-1.0	-42.34	425.87	8.29	-34.05
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020287331	0	53	-1.0	-54.36	409.92	7.82	-46.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020287331	1	53	-1.0	-54.39	409.86	7.79	-46.60
CSCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287332	0	55	-1.0	-40.50	419.34	9.25	-31.25
CSCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287332	1	55	-1.0	-40.51	419.40	9.27	-31.24
CSCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287333	0	52	-1.0	-45.92	394.03	8.60	-37.32
CSCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287333	1	52	-1.0	-45.94	394.09	8.61	-37.33
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020287334	0	54	-1.0	-54.29	414.45	5.23	-49.06
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020287334	1	54	-1.0	-54.28	414.51	5.26	-49.02
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020287335	0	54	-1.0	-54.15	409.72	5.14	-49.01
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020287335	1	54	-1.0	-54.16	409.79	5.15	-49.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020287336	0	51	-1.0	-52.04	394.29	4.87	-47.17
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020287336	1	51	-1.0	-52.06	394.35	4.89	-47.17
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020287337	0	49	-1.0	-40.82	403.08	6.64	-34.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020287337	1	49	-1.0	-40.85	403.14	6.67	-34.18
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020287338	0	49	-1.0	-48.22	386.38	9.48	-38.74
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020287338	1	49	-1.0	-48.21	386.43	9.49	-38.72
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020287339	0	51	-1.0	-41.26	383.44	9.09	-32.17
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020287339	1	51	-1.0	-41.25	383.50	9.10	-32.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020287340	0	48	-1.0	-41.54	370.13	8.27	-33.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020287340	1	48	-1.0	-41.59	370.18	8.29	-33.30
COC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287341	0	54	-1.0	-41.72	417.53	8.57	-33.15
COC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287341	1	54	-1.0	-41.70	417.59	8.59	-33.11
COC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287342	0	51	-1.0	-42.80	401.15	7.60	-35.20
COC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287342	1	51	-1.0	-42.80	401.21	7.63	-35.17
COC(=O)C[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287343	0	54	-1.0	-41.58	423.00	8.39	-33.19
COC(=O)C[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287343	1	54	-1.0	-41.55	423.06	8.41	-33.14
COC(=O)C[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287344	0	51	-1.0	-45.32	383.99	6.93	-38.39
COC(=O)C[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287344	1	51	-1.0	-45.31	384.05	6.95	-38.36
COC(=O)C[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287345	0	54	-1.0	-42.75	413.60	8.50	-34.25
COC(=O)C[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287345	1	54	-1.0	-42.76	413.65	8.52	-34.24
COC(=O)C[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287346	0	51	-1.0	-46.10	393.35	7.94	-38.16
COC(=O)C[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287346	1	51	-1.0	-46.13	393.41	7.94	-38.19
CC1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C2)=C1	REAL300020287347	0	51	-1.0	-48.06	401.51	8.16	-39.90
CC1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C2)=C1	REAL300020287347	1	51	-1.0	-48.10	401.57	8.17	-39.93
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C2)=C1	REAL300020287348	0	48	-1.0	-53.47	376.61	7.61	-45.86
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C2)=C1	REAL300020287348	1	48	-1.0	-53.41	376.50	7.62	-45.79
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020287349	0	55	-1.0	-46.06	441.57	7.63	-38.43
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020287349	1	55	-1.0	-46.11	441.63	7.64	-38.47
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C=C1	REAL300020287350	0	52	-1.0	-47.79	420.13	6.88	-40.91
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C=C1	REAL300020287350	1	52	-1.0	-47.77	420.19	6.90	-40.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020287351	0	52	-1.0	-41.32	388.54	6.51	-34.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020287351	1	52	-1.0	-41.32	388.59	6.53	-34.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020287352	0	49	-1.0	-48.06	361.33	6.30	-41.76
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020287352	1	49	-1.0	-48.10	361.38	6.31	-41.79
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CCCO1	REAL300020287353	0	56	-1.0	-41.32	422.66	9.23	-32.09
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CCCO1	REAL300020287353	1	56	-1.0	-41.38	422.72	9.23	-32.15
COC(=O)C(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287354	0	52	-1.0	-48.91	413.53	7.90	-41.01
COC(=O)C(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287354	1	52	-1.0	-48.93	413.59	7.92	-41.01
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020287355	0	58	-1.0	-47.45	412.33	5.60	-41.85
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020287355	1	58	-1.0	-47.48	412.41	5.62	-41.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020287355	1	59	0.0	-61.38	421.32	7.61	-53.77
CC1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)CC2)C=C1	REAL300020287356	0	57	-1.0	-44.00	442.87	8.00	-36.00
CC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020287356	1	58	0.0	-68.64	446.60	10.53	-58.11
CC1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)CC2)C=C1	REAL300020287356	1	57	-1.0	-43.94	442.93	8.02	-35.92
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020287357	0	58	-1.0	-39.47	428.75	10.74	-28.73
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020287357	1	58	-1.0	-39.48	428.81	10.75	-28.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020287358	0	55	-1.0	-41.94	407.29	9.98	-31.96
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020287358	1	55	-1.0	-41.95	407.23	9.95	-32.00
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C	REAL300020287359	0	45	-1.0	-40.08	343.59	6.01	-34.07
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C	REAL300020287359	1	45	-1.0	-40.10	343.65	6.03	-34.07
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020287360	0	49	-1.0	-42.95	371.97	8.97	-33.98
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020287360	1	49	-1.0	-42.90	372.01	8.96	-33.94
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC[C@H]1F	REAL300020287361	0	49	-1.0	-41.95	376.41	6.25	-35.70
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC[C@H]1F	REAL300020287361	1	49	-1.0	-41.97	376.47	6.26	-35.71
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC[C@H]1F	REAL300020287362	0	46	-1.0	-42.23	365.46	5.43	-36.80
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC[C@H]1F	REAL300020287362	1	46	-1.0	-42.25	365.52	5.45	-36.80
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020287363	0	53	-1.0	-41.70	397.47	8.55	-33.15
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020287363	1	53	-1.0	-41.64	397.53	8.56	-33.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020287364	0	50	-1.0	-41.86	381.60	7.76	-34.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020287364	1	50	-1.0	-41.87	381.65	7.79	-34.08
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287365	0	49	-1.0	-48.55	387.62	5.07	-43.48
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287365	1	49	-1.0	-48.52	387.68	5.08	-43.44
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287366	0	46	-1.0	-49.86	361.89	4.11	-45.75
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287366	1	46	-1.0	-49.83	361.84	4.08	-45.75
CNC(=O)[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020287367	0	53	-1.0	-51.09	421.22	7.18	-43.91
CNC(=O)[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020287367	1	53	-1.0	-51.06	421.27	7.17	-43.89
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020287368	0	51	-1.0	-53.93	402.92	7.26	-46.67
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020287368	1	51	-1.0	-53.97	402.89	7.26	-46.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020287369	0	47	-1.0	-46.34	367.00	2.20	-44.14
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020287369	1	47	-1.0	-46.33	367.06	2.21	-44.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020287370	0	44	-1.0	-46.99	345.51	1.41	-45.58
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020287370	1	44	-1.0	-47.02	345.56	1.44	-45.58
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020287371	0	49	-1.0	-40.77	384.77	8.98	-31.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020287371	1	49	-1.0	-40.82	384.83	8.99	-31.83
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020287372	0	46	-1.0	-43.12	361.99	8.17	-34.95
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020287372	1	46	-1.0	-43.12	362.05	8.19	-34.93
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020287373	0	60	0.0	-67.85	425.75	9.17	-58.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020287373	1	60	0.0	-65.65	434.81	9.11	-56.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020287373	1	60	0.0	-67.86	425.81	9.18	-58.68
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020287373	1	60	0.0	-65.66	434.87	9.13	-56.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020287374	0	57	0.0	-70.54	402.68	8.64	-61.90
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020287374	1	57	0.0	-66.07	414.34	8.34	-57.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020287374	1	57	0.0	-70.51	402.71	8.64	-61.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020287374	1	57	0.0	-66.07	414.40	8.36	-57.71
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020287375	0	52	-1.0	-47.46	411.26	11.72	-35.74
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020287375	1	52	-1.0	-47.46	411.32	11.74	-35.72
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020287376	0	49	-1.0	-48.29	388.51	10.89	-37.40
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CN(C)C2=CC=CC=C12	REAL300020287376	1	49	-1.0	-48.26	388.44	10.88	-37.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020287377	0	51	-1.0	-41.20	394.04	7.37	-33.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020287377	1	51	-1.0	-41.22	394.10	7.39	-33.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020287378	0	48	-1.0	-43.50	378.25	6.84	-36.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CC=C2C1C	REAL300020287378	1	48	-1.0	-43.52	378.20	6.82	-36.70
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020287379	0	57	-1.0	-39.30	414.11	9.94	-29.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020287379	1	57	-1.0	-39.30	414.17	9.95	-29.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020287380	0	54	-1.0	-41.98	392.31	9.15	-32.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020287380	1	54	-1.0	-41.99	392.42	9.18	-32.81
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020287381	0	49	-1.0	-41.28	368.78	7.85	-33.43
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020287381	1	49	-1.0	-41.30	368.84	7.86	-33.44
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020287382	0	46	-1.0	-48.17	342.77	7.26	-40.91
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020287382	1	46	-1.0	-48.20	342.71	7.25	-40.95
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020287383	0	53	-1.0	-41.91	399.92	9.83	-32.08
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020287383	1	53	-1.0	-41.95	399.88	9.82	-32.13
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020287384	0	52	-1.0	-40.95	368.29	2.30	-38.65
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020287384	1	52	-1.0	-40.97	368.35	2.31	-38.66
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020287385	0	49	-1.0	-50.99	377.00	5.03	-45.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020287385	1	49	-1.0	-51.01	377.06	5.06	-45.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020287386	0	46	-1.0	-39.38	369.27	6.04	-33.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020287386	1	46	-1.0	-39.40	369.32	6.05	-33.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020287387	0	43	-1.0	-40.77	345.22	6.40	-34.37
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020287387	1	43	-1.0	-40.79	345.27	6.43	-34.36
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC[C@@H]1C	REAL300020287388	0	50	-1.0	-41.00	391.69	9.20	-31.80
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC[C@@H]1C	REAL300020287388	1	50	-1.0	-40.94	391.69	9.20	-31.74
C#CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287389	0	43	-1.0	-43.17	343.45	7.22	-35.95
C#CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287389	1	43	-1.0	-43.19	343.51	7.24	-35.95
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020287390	0	47	-1.0	-43.52	382.07	9.36	-34.16
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020287390	1	47	-1.0	-43.55	382.10	9.36	-34.19
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020287391	0	46	-1.0	-46.15	343.17	6.06	-40.09
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020287391	1	46	-1.0	-46.18	343.23	6.08	-40.10
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020287392	0	43	-1.0	-49.89	319.35	5.97	-43.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020287392	1	43	-1.0	-49.92	319.40	5.97	-43.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020287393	0	55	-1.0	-39.60	407.90	9.57	-30.03
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020287393	1	55	-1.0	-39.65	407.95	9.59	-30.06
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020287394	0	52	-1.0	-41.03	386.38	8.79	-32.24
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020287394	1	52	-1.0	-41.00	386.44	8.81	-32.19
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020287395	0	51	-1.0	-44.04	382.43	7.80	-36.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020287395	1	51	-1.0	-44.03	382.49	7.81	-36.22
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020287396	0	48	-1.0	-46.64	380.07	7.68	-38.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020287396	1	48	-1.0	-46.65	380.13	7.71	-38.94
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020287397	0	54	-1.0	-41.35	417.62	9.32	-32.03
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020287397	1	54	-1.0	-41.37	417.67	9.33	-32.04
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020287398	0	51	-1.0	-43.93	390.90	8.69	-35.24
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020287398	1	51	-1.0	-43.92	390.95	8.72	-35.20
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020287399	0	51	-1.0	-46.91	400.82	9.16	-37.75
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020287399	1	51	-1.0	-46.93	400.87	9.17	-37.76
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020287400	0	51	-1.0	-42.37	378.13	8.00	-34.37
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020287400	1	51	-1.0	-42.38	378.18	8.01	-34.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020287401	0	48	-1.0	-48.17	368.84	8.25	-39.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020287401	1	48	-1.0	-48.14	368.89	8.27	-39.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020287402	0	59	-1.0	-40.64	434.65	8.88	-31.76
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020287402	1	59	-1.0	-40.63	434.70	8.90	-31.73
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020287403	0	56	-1.0	-41.76	419.17	7.98	-33.78
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020287403	1	56	-1.0	-41.77	419.23	8.00	-33.77
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020287404	0	49	-1.0	-45.31	384.39	3.83	-41.48
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020287404	1	49	-1.0	-45.29	384.45	3.84	-41.45
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020287405	0	46	-1.0	-51.32	357.85	3.40	-47.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020287405	1	46	-1.0	-51.27	357.90	3.41	-47.86
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020287406	0	53	-1.0	-47.77	420.17	5.91	-41.86
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020287406	1	53	-1.0	-47.74	420.21	5.90	-41.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020287407	0	51	-1.0	-47.67	406.17	4.14	-43.53
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020287407	1	51	-1.0	-47.69	406.23	4.17	-43.52
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020287408	0	51	-1.0	-40.77	395.20	9.10	-31.67
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020287408	1	51	-1.0	-40.80	395.26	9.11	-31.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020287409	0	48	-1.0	-42.19	380.12	8.17	-34.02
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020287409	1	48	-1.0	-42.16	380.17	8.19	-33.97
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020287410	0	49	-1.0	-45.02	384.50	4.53	-40.49
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020287410	1	49	-1.0	-45.02	384.55	4.54	-40.48
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020287411	0	46	-1.0	-47.66	362.48	4.09	-43.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020287411	1	46	-1.0	-47.68	362.54	4.11	-43.57
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287412	0	52	-1.0	-45.77	408.20	7.58	-38.19
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287412	1	52	-1.0	-45.78	408.26	7.59	-38.19
CCOC(=O)C1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287413	0	49	-1.0	-46.61	389.15	7.41	-39.20
CCOC(=O)C1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287413	1	49	-1.0	-46.63	389.20	7.43	-39.20
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020287414	0	52	-1.0	-41.27	405.06	9.93	-31.34
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020287414	1	52	-1.0	-41.31	405.12	9.94	-31.37
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020287415	0	49	-1.0	-43.24	389.82	9.08	-34.16
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020287415	1	49	-1.0	-43.26	389.76	9.06	-34.20
CO[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287416	0	49	-1.0	-41.02	383.09	6.13	-34.89
CO[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287416	1	49	-1.0	-41.02	383.14	6.15	-34.87
CO[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287417	0	46	-1.0	-45.73	358.89	5.74	-39.99
CO[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287417	1	46	-1.0	-45.76	358.95	5.76	-40.00
CO[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020287418	0	53	-1.0	-43.76	404.54	8.23	-35.53
CO[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020287418	1	53	-1.0	-43.75	404.60	8.22	-35.53
COC(=O)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287419	0	49	-1.0	-46.50	386.53	6.64	-39.86
COC(=O)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287419	1	49	-1.0	-46.53	386.59	6.65	-39.88
COC(=O)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287420	0	46	-1.0	-46.87	362.84	7.12	-39.75
COC(=O)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287420	1	46	-1.0	-46.85	362.89	7.12	-39.73
CC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287421	0	49	-1.0	-39.91	360.44	5.47	-34.44
CC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287421	1	49	-1.0	-39.92	360.50	5.48	-34.44
CC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287422	0	46	-1.0	-42.50	344.46	4.83	-37.67
CC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287422	1	46	-1.0	-42.45	344.51	4.86	-37.59
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CCO1	REAL300020287423	0	53	-1.0	-41.81	397.93	7.58	-34.23
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CCO1	REAL300020287423	1	53	-1.0	-41.78	397.98	7.57	-34.21
CO[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287424	0	49	-1.0	-42.65	370.57	6.03	-36.62
CO[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287424	1	49	-1.0	-42.67	370.63	6.05	-36.62
CO[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287425	0	46	-1.0	-44.50	361.94	5.42	-39.08
CO[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287425	1	46	-1.0	-44.46	362.00	5.44	-39.02
CO[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)C1	REAL300020287426	0	53	-1.0	-43.73	404.45	8.25	-35.48
CO[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)C1	REAL300020287426	1	53	-1.0	-43.73	404.50	8.24	-35.49
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287427	0	50	-1.0	-42.44	386.52	4.82	-37.62
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287427	1	50	-1.0	-42.47	386.58	4.84	-37.63
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287428	0	47	-1.0	-46.49	349.46	3.38	-43.11
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287428	1	47	-1.0	-46.52	349.50	3.39	-43.13
COC[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CCO1	REAL300020287429	0	54	-1.0	-43.27	408.53	5.92	-37.35
COC[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CCO1	REAL300020287429	1	54	-1.0	-43.26	408.56	5.91	-37.35
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020287430	0	51	-1.0	-48.98	398.60	9.06	-39.92
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020287430	1	51	-1.0	-48.96	398.67	9.06	-39.90
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287431	0	50	-1.0	-42.26	391.20	5.39	-36.87
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287431	1	50	-1.0	-42.28	391.25	5.41	-36.87
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CCO1	REAL300020287432	0	47	-1.0	-42.79	369.42	4.11	-38.68
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CCO1	REAL300020287432	1	47	-1.0	-42.78	369.48	4.14	-38.64
COC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)CCO1	REAL300020287433	0	54	-1.0	-43.21	424.20	6.80	-36.41
COC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)CCO1	REAL300020287433	1	54	-1.0	-43.15	424.25	6.79	-36.36
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020287434	0	51	-1.0	-40.95	396.79	7.31	-33.64
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020287434	1	51	-1.0	-41.00	396.84	7.33	-33.67
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020287435	0	48	-1.0	-43.00	375.92	6.32	-36.68
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020287435	1	48	-1.0	-42.99	375.98	6.34	-36.65
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CC1(C)C	REAL300020287436	0	46	-1.0	-40.29	354.52	6.52	-33.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CC1(C)C	REAL300020287436	1	46	-1.0	-40.26	354.57	6.54	-33.72
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CC1(C)C	REAL300020287437	0	43	-1.0	-45.67	321.50	6.13	-39.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CC1(C)C	REAL300020287437	1	43	-1.0	-45.72	321.45	6.12	-39.60
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020287438	0	50	-1.0	-43.21	385.80	9.07	-34.14
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020287438	1	50	-1.0	-43.15	385.84	9.05	-34.10
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020287439	0	51	-1.0	-44.12	398.31	3.88	-40.24
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020287439	1	51	-1.0	-44.14	398.37	3.90	-40.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020287440	0	48	-1.0	-45.04	369.88	2.95	-42.09
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020287440	1	48	-1.0	-45.00	369.93	2.97	-42.03
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020287441	0	54	-1.0	-48.19	416.71	3.07	-45.12
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020287441	1	54	-1.0	-48.18	416.76	3.09	-45.09
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020287442	0	59	-1.0	-41.08	433.84	7.92	-33.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020287442	1	59	-1.0	-41.05	433.90	7.93	-33.12
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020287443	0	56	-1.0	-47.50	403.64	6.67	-40.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020287443	1	56	-1.0	-47.47	403.69	6.68	-40.79
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020287444	0	48	-1.0	-50.86	375.56	3.34	-47.52
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020287444	1	48	-1.0	-50.89	375.62	3.36	-47.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020287445	0	45	-1.0	-55.96	349.14	2.88	-53.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020287445	1	45	-1.0	-55.94	348.82	2.90	-53.04
CCOC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287446	0	57	-1.0	-40.90	444.84	9.65	-31.25
CCOC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287446	1	57	-1.0	-40.88	444.91	9.67	-31.21
CCOC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287447	0	54	-1.0	-46.96	413.89	8.84	-38.12
CCOC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287447	1	54	-1.0	-46.93	413.96	8.85	-38.08
CCOC(=O)C1CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020287448	0	55	-1.0	-50.20	428.09	9.61	-40.59
CCOC(=O)C1CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020287448	1	55	-1.0	-50.21	428.14	9.61	-40.60
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C	REAL300020287449	0	45	-1.0	-42.43	344.90	7.27	-35.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C	REAL300020287449	1	45	-1.0	-42.43	344.95	7.29	-35.14
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020287450	0	49	-1.0	-42.67	379.50	9.29	-33.38
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020287450	1	49	-1.0	-42.66	379.55	9.28	-33.38
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020287451	0	57	-1.0	-42.80	438.23	9.02	-33.78
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020287451	1	57	-1.0	-42.76	438.29	9.04	-33.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020287452	0	54	-1.0	-43.17	414.28	8.35	-34.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020287452	1	54	-1.0	-43.18	414.34	8.38	-34.80
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)CC(C)(C)O1	REAL300020287453	0	55	-1.0	-43.85	425.32	7.89	-35.96
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)CC(C)(C)O1	REAL300020287453	1	55	-1.0	-43.87	425.37	7.91	-35.96
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC(C)(C)O1	REAL300020287454	0	52	-1.0	-45.45	414.71	6.99	-38.46
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC(C)(C)O1	REAL300020287454	1	52	-1.0	-45.45	414.77	7.02	-38.43
COC(=O)C1(C(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287455	0	51	-1.0	-47.35	406.40	7.57	-39.78
COC(=O)C1(C(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287455	1	51	-1.0	-47.37	406.47	7.60	-39.77
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C	REAL300020287456	0	45	-1.0	-42.43	344.90	7.27	-35.16
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C	REAL300020287456	1	45	-1.0	-42.43	344.95	7.29	-35.14
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020287457	0	49	-1.0	-42.67	379.50	9.29	-33.38
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020287457	1	49	-1.0	-42.66	379.55	9.28	-33.38
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287458	0	51	-1.0	-46.50	408.33	8.07	-38.43
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287458	1	51	-1.0	-46.52	408.39	8.09	-38.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020287459	0	52	-1.0	-42.79	387.71	8.25	-34.54
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020287459	1	52	-1.0	-42.77	387.77	8.27	-34.50
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020287460	0	49	-1.0	-41.74	377.69	8.44	-33.30
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020287460	1	49	-1.0	-41.74	377.74	8.48	-33.26
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020287461	0	54	-1.0	-46.54	428.47	6.77	-39.77
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020287461	1	54	-1.0	-46.56	428.53	6.79	-39.77
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020287462	0	51	-1.0	-48.91	409.34	6.04	-42.87
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020287462	1	51	-1.0	-48.90	409.40	6.07	-42.83
COC(=O)C1CC2CC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020287463	0	55	-1.0	-44.24	394.33	9.47	-34.77
COC(=O)C1CC2CC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020287463	1	55	-1.0	-44.25	394.39	9.49	-34.76
COC(=O)C1CC2CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)C2	REAL300020287464	0	52	-1.0	-46.26	384.15	9.25	-37.01
COC(=O)C1CC2CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)C2	REAL300020287464	1	52	-1.0	-46.29	384.21	9.28	-37.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020287465	0	61	-1.0	-40.53	460.36	8.96	-31.57
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020287465	1	61	-1.0	-40.53	460.42	8.97	-31.56
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020287466	0	58	-1.0	-43.85	439.43	8.25	-35.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020287466	1	58	-1.0	-43.84	439.48	8.27	-35.57
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020287467	0	61	-1.0	-40.28	454.08	8.99	-31.29
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020287467	1	61	-1.0	-40.22	454.14	9.01	-31.21
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020287468	0	58	-1.0	-41.44	438.96	8.17	-33.27
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020287468	1	58	-1.0	-41.43	439.02	8.19	-33.24
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020287469	0	54	-1.0	-48.56	418.63	6.80	-41.76
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020287469	1	54	-1.0	-48.52	418.68	6.82	-41.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020287470	0	51	-1.0	-53.11	399.40	6.25	-46.86
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020287470	1	51	-1.0	-53.13	399.48	6.26	-46.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020287471	0	53	-1.0	-45.95	395.49	6.87	-39.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020287471	1	53	-1.0	-45.99	395.55	6.88	-39.11
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020287472	0	50	-1.0	-43.86	388.94	6.15	-37.71
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020287472	1	50	-1.0	-43.90	389.00	6.18	-37.72
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020287473	0	51	-1.0	-43.23	390.42	7.32	-35.91
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020287473	1	51	-1.0	-43.18	390.47	7.34	-35.84
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020287474	0	48	-1.0	-45.58	379.39	6.38	-39.20
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020287474	1	48	-1.0	-45.55	379.45	6.40	-39.15
CCN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287475	0	55	-1.0	-40.57	418.18	7.37	-33.20
CCN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287475	1	55	-1.0	-40.61	418.23	7.39	-33.22
CCN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287476	0	52	-1.0	-42.95	399.17	6.63	-36.32
CCN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287476	1	52	-1.0	-42.95	399.23	6.65	-36.30
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020287477	0	54	-1.0	-57.43	401.70	4.68	-52.75
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020287477	1	54	-1.0	-57.46	401.77	4.69	-52.77
CC1=CSC(CCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020287478	0	50	-1.0	-42.63	414.68	7.33	-35.30
CC1=CSC(CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020287478	1	50	-1.0	-42.64	414.73	7.34	-35.30
CC1=CSC(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020287479	0	47	-1.0	-44.51	393.22	6.54	-37.97
CC1=CSC(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020287479	1	47	-1.0	-44.57	393.27	6.56	-38.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020287480	0	53	-1.0	-45.83	397.85	4.05	-41.78
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020287480	1	53	-1.0	-45.85	397.90	4.06	-41.79
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020287481	0	50	-1.0	-50.68	390.35	2.08	-48.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020287481	1	50	-1.0	-50.71	390.37	2.10	-48.61
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C[C@H]2C1	REAL300020287482	0	55	-1.0	-46.86	423.15	8.74	-38.12
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C[C@H]2C1	REAL300020287482	1	55	-1.0	-46.82	423.21	8.75	-38.07
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C[C@H]2C1	REAL300020287483	0	52	-1.0	-51.97	394.66	8.10	-43.87
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C[C@H]2C1	REAL300020287483	1	52	-1.0	-51.91	394.54	8.11	-43.80
COC(=O)C1(C2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287484	0	55	-1.0	-41.67	423.65	8.30	-33.37
COC(=O)C1(C2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287484	1	55	-1.0	-41.67	423.71	8.32	-33.35
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020287485	0	53	-1.0	-43.74	394.46	7.33	-36.41
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020287485	1	53	-1.0	-43.75	394.51	7.34	-36.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020287486	0	50	-1.0	-44.31	375.98	6.20	-38.11
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020287486	1	50	-1.0	-44.37	376.05	6.23	-38.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020287487	0	45	-1.0	-41.21	368.19	7.40	-33.81
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020287487	1	45	-1.0	-41.20	368.25	7.42	-33.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020287488	0	42	-1.0	-46.40	344.86	6.80	-39.60
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020287488	1	42	-1.0	-46.40	344.92	6.82	-39.58
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC(C)C)C[C@@H]21	REAL300020287489	0	53	-1.0	-52.08	405.54	6.14	-45.94
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC(C)C)C[C@@H]21	REAL300020287489	1	53	-1.0	-52.02	405.60	6.16	-45.86
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC(C)C)C[C@@H]21	REAL300020287490	0	50	-1.0	-48.41	389.62	5.36	-43.05
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC(C)C)C[C@@H]21	REAL300020287490	1	50	-1.0	-48.44	389.68	5.38	-43.06
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020287491	0	54	-1.0	-44.22	415.36	4.21	-40.01
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020287491	1	54	-1.0	-44.22	415.42	4.22	-40.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020287492	0	51	-1.0	-44.14	389.01	3.60	-40.54
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020287492	1	51	-1.0	-44.12	389.07	3.62	-40.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020287493	0	57	-1.0	-41.10	414.73	8.27	-32.83
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020287493	1	57	-1.0	-41.10	414.78	8.29	-32.81
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020287494	0	54	-1.0	-48.42	384.98	7.54	-40.88
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020287494	1	54	-1.0	-48.47	385.04	7.54	-40.93
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020287495	0	58	-1.0	-47.59	423.13	11.21	-36.38
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020287495	1	58	-1.0	-47.63	423.18	11.22	-36.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020287496	0	59	-1.0	-40.85	419.42	6.03	-34.82
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020287496	1	59	-1.0	-40.84	419.47	6.06	-34.78
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020287497	0	56	-1.0	-44.54	408.40	4.92	-39.62
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020287497	1	56	-1.0	-44.53	408.46	4.94	-39.59
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020287498	0	56	-1.0	-41.60	400.85	5.50	-36.10
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020287498	1	56	-1.0	-41.60	400.91	5.52	-36.08
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020287499	0	53	-1.0	-48.13	370.67	4.84	-43.29
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020287499	1	53	-1.0	-48.14	370.73	4.84	-43.30
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020287500	0	48	-1.0	-43.46	388.31	9.67	-33.79
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020287500	1	48	-1.0	-43.50	388.25	9.65	-33.85
CCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020287501	0	45	-1.0	-45.80	363.51	8.98	-36.82
CCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020287501	1	45	-1.0	-45.86	363.46	8.95	-36.91
CCCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC(C)C)=N1	REAL300020287502	0	52	-1.0	-45.44	423.36	11.69	-33.75
CCCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC(C)C)=N1	REAL300020287502	1	52	-1.0	-45.43	423.33	11.70	-33.73
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020287503	0	53	-1.0	-45.02	410.89	7.58	-37.44
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020287503	1	53	-1.0	-45.03	410.95	7.59	-37.44
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020287504	0	50	-1.0	-44.82	388.66	6.78	-38.04
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020287504	1	50	-1.0	-44.86	388.71	6.81	-38.05
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020287505	0	47	-1.0	-42.89	348.73	7.69	-35.20
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020287505	1	47	-1.0	-42.89	348.79	7.71	-35.18
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020287506	0	44	-1.0	-45.07	326.66	7.07	-38.00
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020287506	1	44	-1.0	-45.08	326.60	7.05	-38.03
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020287507	0	51	-1.0	-44.05	386.55	10.40	-33.65
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020287507	1	51	-1.0	-44.01	386.57	10.38	-33.63
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020287508	0	53	-1.0	-40.43	389.44	9.10	-31.33
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020287508	1	53	-1.0	-40.46	389.50	9.12	-31.34
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020287509	0	50	-1.0	-42.48	383.66	10.33	-32.15
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020287509	1	50	-1.0	-42.45	383.60	10.31	-32.14
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020287510	0	51	-1.0	-39.63	395.15	6.61	-33.02
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020287510	1	51	-1.0	-39.61	395.21	6.63	-32.98
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020287511	0	48	-1.0	-45.22	362.85	6.29	-38.93
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020287511	1	48	-1.0	-45.25	362.91	6.30	-38.95
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020287512	0	50	-1.0	-40.32	370.53	4.06	-36.26
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020287512	1	50	-1.0	-40.32	370.59	4.08	-36.24
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020287513	0	47	-1.0	-42.11	349.06	3.28	-38.83
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020287513	1	47	-1.0	-42.12	349.12	3.31	-38.81
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020287514	0	54	-1.0	-42.70	399.93	6.50	-36.20
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020287514	1	54	-1.0	-42.57	399.99	6.49	-36.08
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020287515	0	59	-1.0	-41.30	418.86	7.88	-33.42
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020287515	1	59	-1.0	-41.31	418.91	7.90	-33.41
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020287516	0	56	-1.0	-43.29	392.95	7.89	-35.40
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020287516	1	56	-1.0	-43.32	393.01	7.92	-35.40
CCCOC(=O)NCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287517	0	58	-1.0	-47.23	452.66	6.19	-41.04
CCCOC(=O)NCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287517	1	58	-1.0	-47.26	452.72	6.21	-41.05
CCCOC(=O)NCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287518	0	55	-1.0	-47.90	442.57	5.23	-42.67
CCCOC(=O)NCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287518	1	55	-1.0	-47.86	442.63	5.26	-42.60
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020287519	0	50	-1.0	-40.68	387.86	8.89	-31.79
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020287519	1	50	-1.0	-40.66	387.89	8.91	-31.75
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020287520	0	47	-1.0	-42.82	368.57	8.13	-34.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020287520	1	47	-1.0	-42.82	368.51	8.10	-34.72
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020287521	0	54	-1.0	-41.65	423.12	10.99	-30.66
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020287521	1	54	-1.0	-41.66	423.21	10.98	-30.68
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020287522	0	52	-1.0	-42.11	409.43	10.37	-31.74
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020287522	1	52	-1.0	-42.10	409.48	10.38	-31.72
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020287523	0	49	-1.0	-43.59	388.49	9.63	-33.96
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020287523	1	49	-1.0	-43.66	388.55	9.66	-34.00
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020287524	0	57	-1.0	-40.60	435.78	10.33	-30.27
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020287524	1	57	-1.0	-40.61	435.84	10.34	-30.27
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020287525	0	54	-1.0	-46.13	414.79	9.20	-36.93
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020287525	1	54	-1.0	-46.10	414.83	9.23	-36.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020287526	0	52	-1.0	-41.92	386.19	8.56	-33.36
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020287526	1	52	-1.0	-41.94	386.25	8.57	-33.37
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020287527	0	49	-1.0	-44.52	373.35	7.75	-36.77
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020287527	1	49	-1.0	-44.58	373.41	7.78	-36.80
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020287528	0	56	-1.0	-42.87	420.98	10.81	-32.06
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020287528	1	56	-1.0	-42.82	421.01	10.81	-32.01
CCC(O)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287529	0	51	-1.0	-40.34	389.70	4.70	-35.64
CCC(O)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287529	1	51	-1.0	-40.34	389.76	4.72	-35.62
CCC(O)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287530	0	48	-1.0	-45.68	360.97	4.11	-41.57
CCC(O)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287530	1	48	-1.0	-45.63	360.92	4.12	-41.51
CCC(O)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020287531	0	55	-1.0	-42.02	417.99	6.45	-35.57
CCC(O)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020287531	1	55	-1.0	-41.99	418.02	6.44	-35.55
CCN(CCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC(C)C	REAL300020287532	0	51	-1.0	-43.13	397.44	3.95	-39.18
CCN(CCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC(C)C	REAL300020287532	1	51	-1.0	-43.16	397.50	3.97	-39.19
CCN(CCCCO)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C	REAL300020287533	0	48	-1.0	-49.25	362.95	3.59	-45.66
CCN(CCCCO)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C	REAL300020287533	1	48	-1.0	-49.26	362.99	3.59	-45.67
CCN(CCCCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC(C)C	REAL300020287534	0	55	-1.0	-45.12	422.96	6.13	-38.99
CCN(CCCCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC(C)C	REAL300020287534	1	55	-1.0	-45.09	423.00	6.12	-38.97
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020287535	0	53	-1.0	-47.60	416.55	10.59	-37.01
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020287535	1	53	-1.0	-47.60	416.49	10.57	-37.03
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020287536	0	50	-1.0	-52.35	394.84	10.01	-42.34
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020287536	1	50	-1.0	-52.32	394.76	10.00	-42.32
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020287537	0	47	-1.0	-42.02	376.66	5.94	-36.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020287537	1	47	-1.0	-42.05	376.72	5.95	-36.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020287538	0	44	-1.0	-45.94	353.11	5.36	-40.58
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020287538	1	44	-1.0	-45.90	353.12	5.36	-40.54
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020287539	0	51	-1.0	-43.62	403.78	8.27	-35.35
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020287539	1	51	-1.0	-43.62	403.84	8.28	-35.34
CC1=NOC2(C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020287540	0	53	-1.0	-48.10	409.58	7.38	-40.72
CC1=NOC2(C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020287540	1	53	-1.0	-48.09	409.64	7.40	-40.69
CC1=NOC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC(C)C)CC2	REAL300020287541	0	50	-1.0	-51.32	392.64	6.75	-44.57
CC1=NOC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC(C)C)CC2	REAL300020287541	1	50	-1.0	-51.32	392.69	6.77	-44.55
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020287542	0	52	-1.0	-46.65	403.09	9.93	-36.72
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020287542	1	52	-1.0	-46.65	403.15	9.95	-36.70
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020287543	0	49	-1.0	-49.09	366.14	7.40	-41.69
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020287543	1	49	-1.0	-49.05	366.16	7.41	-41.64
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020287544	0	54	-1.0	-54.54	408.62	1.81	-52.73
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020287544	1	54	-1.0	-54.53	408.68	1.84	-52.69
COC(=O)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287545	0	54	-1.0	-45.96	404.80	7.51	-38.45
COC(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287545	1	54	-1.0	-45.99	404.85	7.52	-38.47
COC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287546	0	51	-1.0	-51.86	379.37	7.01	-44.85
COC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287546	1	51	-1.0	-51.88	379.43	7.04	-44.84
CCN(CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC(C)C)C1=CC=CC=C1	REAL300020287547	0	59	-1.0	-46.56	452.97	10.72	-35.84
CCN(CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC(C)C)C1=CC=CC=C1	REAL300020287547	1	59	-1.0	-46.59	453.08	10.72	-35.87
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020287548	0	52	-1.0	-41.60	405.32	9.27	-32.33
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020287548	1	52	-1.0	-41.60	405.37	9.29	-32.31
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020287549	0	49	-1.0	-47.31	378.28	8.51	-38.80
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020287549	1	49	-1.0	-47.27	378.24	8.51	-38.76
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020287550	0	46	-1.0	-48.33	373.19	2.25	-46.08
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020287550	1	46	-1.0	-48.34	373.24	2.26	-46.08
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020287551	0	43	-1.0	-49.41	346.22	1.88	-47.53
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020287551	1	43	-1.0	-49.39	346.19	1.88	-47.51
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020287552	0	51	-1.0	-41.20	396.70	4.70	-36.50
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020287552	1	51	-1.0	-41.25	396.76	4.71	-36.54
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020287553	0	48	-1.0	-41.29	377.46	3.72	-37.57
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020287553	1	48	-1.0	-41.25	377.52	3.75	-37.50
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020287554	0	46	-1.0	-39.50	361.57	8.35	-31.15
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020287554	1	46	-1.0	-39.52	361.63	8.36	-31.16
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020287555	0	43	-1.0	-40.81	340.73	7.35	-33.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020287555	1	43	-1.0	-40.78	340.79	7.38	-33.40
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020287556	0	50	-1.0	-43.37	383.09	10.25	-33.12
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020287556	1	50	-1.0	-43.40	383.13	10.23	-33.17
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020287557	0	44	-1.0	-44.66	342.70	4.13	-40.53
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020287557	1	44	-1.0	-44.60	342.75	4.14	-40.46
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020287558	0	41	-1.0	-47.15	312.33	3.46	-43.69
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020287558	1	41	-1.0	-47.14	312.28	3.43	-43.71
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020287559	0	48	-1.0	-45.97	368.73	6.52	-39.45
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020287559	1	48	-1.0	-45.95	368.76	6.52	-39.43
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020287560	0	52	-1.0	-49.55	405.13	3.24	-46.31
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020287560	1	52	-1.0	-49.52	405.18	3.25	-46.27
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020287561	0	49	-1.0	-54.90	371.18	2.80	-52.10
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020287561	1	49	-1.0	-54.96	371.20	2.80	-52.16
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@H]1F	REAL300020287562	0	51	-1.0	-41.69	406.38	8.01	-33.68
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@H]1F	REAL300020287562	1	51	-1.0	-41.66	406.44	8.02	-33.64
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@H]1F	REAL300020287563	0	48	-1.0	-43.47	385.47	7.18	-36.29
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@H]1F	REAL300020287563	1	48	-1.0	-43.47	385.53	7.21	-36.26
COC(=O)COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)CC1	REAL300020287564	0	55	-1.0	-49.85	436.54	8.13	-41.72
COC(=O)COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)CC1	REAL300020287564	1	55	-1.0	-49.85	436.59	8.14	-41.71
CC(C)CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020287565	0	51	-1.0	-43.32	400.38	10.54	-32.78
CC(C)CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020287565	1	51	-1.0	-43.28	400.33	10.53	-32.75
CC(C)CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)=N1	REAL300020287566	0	48	-1.0	-45.56	378.87	9.79	-35.77
CC(C)CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)=N1	REAL300020287566	1	48	-1.0	-45.51	378.81	9.76	-35.75
CC(=O)NCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287567	0	52	-1.0	-50.61	407.27	6.08	-44.53
CC(=O)NCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287567	1	52	-1.0	-50.61	407.33	6.09	-44.52
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C1	REAL300020287568	0	49	-1.0	-53.31	385.85	4.87	-48.44
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C1	REAL300020287568	1	49	-1.0	-53.31	385.91	4.90	-48.41
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020287569	0	48	-1.0	-43.40	363.68	4.78	-38.62
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020287569	1	48	-1.0	-43.37	363.74	4.80	-38.57
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020287570	0	45	-1.0	-41.94	347.07	4.12	-37.82
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020287570	1	45	-1.0	-41.98	347.13	4.15	-37.83
CC(C)CN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020287571	0	52	-1.0	-43.06	398.00	7.08	-35.98
CC(C)CN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020287571	1	52	-1.0	-43.03	398.04	7.07	-35.96
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC(C)C)C[C@H]1C(C)C	REAL300020287572	0	57	-1.0	-43.55	434.86	8.84	-34.71
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC(C)C)C[C@H]1C(C)C	REAL300020287572	1	57	-1.0	-43.55	434.92	8.85	-34.70
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC(C)C)C[C@H]1C(C)C	REAL300020287573	0	54	-1.0	-45.85	410.55	8.16	-37.69
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC(C)C)C[C@H]1C(C)C	REAL300020287573	1	54	-1.0	-45.92	410.61	8.17	-37.75
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287574	0	46	-1.0	-39.99	396.46	10.05	-29.94
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287574	1	46	-1.0	-40.04	396.51	10.07	-29.97
CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287575	0	43	-1.0	-43.53	371.83	9.45	-34.08
CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287575	1	43	-1.0	-43.55	371.74	9.44	-34.11
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287576	0	49	-1.0	-48.23	409.90	9.47	-38.76
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287576	1	49	-1.0	-48.26	409.84	9.45	-38.81
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCCCC1	REAL300020287577	0	49	-1.0	-42.74	398.07	9.21	-33.53
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCCCC1	REAL300020287577	1	49	-1.0	-42.79	398.13	9.23	-33.56
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCCCC1	REAL300020287578	0	46	-1.0	-43.47	376.67	8.45	-35.02
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCCCC1	REAL300020287578	1	46	-1.0	-43.48	376.61	8.43	-35.05
CCSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287579	0	49	-1.0	-42.14	412.50	9.72	-32.42
CCSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287579	1	49	-1.0	-42.12	412.45	9.71	-32.41
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287580	0	51	-1.0	-41.12	410.02	9.31	-31.81
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287580	1	51	-1.0	-41.14	410.08	9.33	-31.81
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287581	0	48	-1.0	-41.77	388.89	8.53	-33.24
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287581	1	48	-1.0	-41.77	388.81	8.51	-33.26
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCC2=CC=CC=C21	REAL300020287582	0	47	-1.0	-44.70	373.17	9.18	-35.52
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCC2=CC=CC=C21	REAL300020287582	1	47	-1.0	-44.68	373.12	9.16	-35.52
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CC2)OCCO3)=C1	REAL300020287583	0	46	-1.0	-44.30	388.77	6.54	-37.76
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CC2)OCCO3)=C1	REAL300020287583	1	46	-1.0	-44.30	388.71	6.51	-37.79
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCSCC2)=C1	REAL300020287584	0	41	-1.0	-41.84	360.43	8.22	-33.62
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCSCC2)=C1	REAL300020287584	1	41	-1.0	-41.87	360.49	8.23	-33.64
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCSCC2)=C1	REAL300020287585	0	38	-1.0	-42.36	331.15	7.65	-34.71
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCSCC2)=C1	REAL300020287585	1	38	-1.0	-42.36	331.14	7.64	-34.72
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C(C)C	REAL300020287586	0	45	-1.0	-41.36	361.11	6.83	-34.53
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C(C)C	REAL300020287586	1	45	-1.0	-41.38	361.16	6.84	-34.54
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C(C)C	REAL300020287587	0	42	-1.0	-43.38	350.08	6.20	-37.18
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C(C)C	REAL300020287587	1	42	-1.0	-43.43	350.04	6.18	-37.25
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=CC=CS1)C(C)C	REAL300020287588	0	49	-1.0	-42.86	399.99	8.87	-33.99
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=CC=CS1)C(C)C	REAL300020287588	1	49	-1.0	-42.80	400.01	8.86	-33.94
OCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287589	0	47	-1.0	-43.69	397.29	5.59	-38.10
OCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287589	1	47	-1.0	-43.67	397.35	5.60	-38.07
OCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287590	0	44	-1.0	-45.74	369.42	4.93	-40.81
OCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287590	1	44	-1.0	-45.76	369.36	4.90	-40.86
CC(C)N(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287591	0	49	-1.0	-39.78	404.64	9.50	-30.28
CC(C)N(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287591	1	49	-1.0	-39.72	404.69	9.51	-30.21
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287592	0	46	-1.0	-41.62	383.03	8.74	-32.88
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287592	1	46	-1.0	-41.63	382.97	8.72	-32.91
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287593	0	46	-1.0	-46.81	388.83	10.05	-36.76
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287593	1	46	-1.0	-46.81	388.76	10.03	-36.78
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2CCOC2)C2CC2)=C1	REAL300020287594	0	48	-1.0	-41.28	396.75	7.37	-33.91
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2CCOC2)C2CC2)=C1	REAL300020287594	1	48	-1.0	-41.27	396.71	7.35	-33.92
C1=CSC(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C2CC2)=C1	REAL300020287595	0	44	-1.0	-42.51	393.00	8.97	-33.54
C1=CSC(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C2CC2)=C1	REAL300020287595	1	44	-1.0	-42.50	392.94	8.95	-33.55
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287596	0	52	-1.0	-42.83	407.79	9.01	-33.82
CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287596	1	52	-1.0	-42.83	407.74	8.99	-33.84
CC1CCCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287597	0	52	-1.0	-40.01	408.35	9.74	-30.27
CC1CCCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287597	1	52	-1.0	-39.99	408.41	9.76	-30.23
CC1CCCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287598	0	49	-1.0	-43.63	393.64	9.15	-34.48
CC1CCCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287598	1	49	-1.0	-43.64	393.58	9.12	-34.52
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287599	0	46	-1.0	-39.80	389.10	8.86	-30.94
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287599	1	46	-1.0	-39.84	389.16	8.88	-30.96
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287600	0	43	-1.0	-41.23	367.19	8.07	-33.16
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287600	1	43	-1.0	-41.23	367.15	8.05	-33.18
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1C	REAL300020287601	0	46	-1.0	-40.49	380.78	8.62	-31.87
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1C	REAL300020287601	1	46	-1.0	-40.49	380.83	8.64	-31.85
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1C	REAL300020287602	0	43	-1.0	-44.42	356.55	8.10	-36.32
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1C	REAL300020287602	1	43	-1.0	-44.39	356.50	8.08	-36.31
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCCCCCC32)=C1	REAL300020287603	0	53	-1.0	-43.27	411.94	8.36	-34.91
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCCCCCC32)=C1	REAL300020287603	1	53	-1.0	-43.26	411.99	8.37	-34.89
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCCCCCC32)=C1	REAL300020287604	0	50	-1.0	-45.29	391.47	7.62	-37.67
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCCCCCC32)=C1	REAL300020287604	1	50	-1.0	-45.33	391.41	7.59	-37.74
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287605	0	49	-1.0	-43.75	390.15	9.73	-34.02
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287605	1	49	-1.0	-43.73	390.09	9.71	-34.02
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2CCCCC2)=C1	REAL300020287606	0	53	-1.0	-45.66	418.06	10.84	-34.82
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2CCCCC2)=C1	REAL300020287606	1	53	-1.0	-45.63	418.00	10.82	-34.81
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2=CSC=C2)=C1	REAL300020287607	0	44	-1.0	-45.22	394.46	9.50	-35.72
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2=CSC=C2)=C1	REAL300020287607	1	44	-1.0	-45.21	394.41	9.47	-35.74
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287608	0	49	-1.0	-43.75	407.18	10.97	-32.78
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287608	1	49	-1.0	-43.78	407.12	10.94	-32.84
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C(C)C	REAL300020287609	0	54	-1.0	-41.53	432.16	9.63	-31.90
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C(C)C	REAL300020287609	1	54	-1.0	-41.53	432.22	9.65	-31.88
CCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C(C)C	REAL300020287610	0	51	-1.0	-44.91	405.72	9.04	-35.87
CCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C(C)C	REAL300020287610	1	51	-1.0	-44.84	405.70	9.03	-35.81
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CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCCC1	REAL300020287726	1	52	-1.0	-43.81	366.00	7.49	-36.32
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CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C(C)C	REAL300020287729	0	51	-1.0	-40.55	406.98	9.15	-31.40
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C(C)C	REAL300020287729	1	51	-1.0	-40.52	407.04	9.16	-31.36
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C(C)C	REAL300020287730	0	48	-1.0	-43.78	371.72	7.56	-36.22
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C(C)C	REAL300020287730	1	48	-1.0	-43.80	371.66	7.53	-36.27
CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287731	0	48	-1.0	-41.42	392.78	9.21	-32.21
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CC1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287745	1	41	-1.0	-43.09	348.63	7.83	-35.26
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287746	0	50	-1.0	-42.52	389.30	7.89	-34.63
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287746	1	50	-1.0	-42.52	389.24	7.87	-34.65
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CC2CC2)CC2CCC2)=C1	REAL300020287747	0	53	-1.0	-41.42	416.38	9.84	-31.58
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CC2CC2)CC2CCC2)=C1	REAL300020287747	1	53	-1.0	-41.42	416.44	9.86	-31.56
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2CC2)CC2CCC2)=C1	REAL300020287748	0	50	-1.0	-44.83	400.53	9.50	-35.33
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2CC2)CC2CCC2)=C1	REAL300020287748	1	50	-1.0	-44.82	400.46	9.47	-35.35
FC(F)O[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287749	0	44	-1.0	-41.70	382.87	6.80	-34.90
FC(F)O[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287749	1	44	-1.0	-41.70	382.93	6.82	-34.88
FC(F)O[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287750	0	41	-1.0	-43.84	360.18	6.12	-37.72
FC(F)O[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287750	1	41	-1.0	-43.84	360.12	6.09	-37.75
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3=CC=CC=C3C2)=C1	REAL300020287751	0	47	-1.0	-43.21	394.84	10.10	-33.11
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3=CC=CC=C3C2)=C1	REAL300020287751	1	47	-1.0	-43.19	394.90	10.12	-33.07
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC=CC=C3C2)=C1	REAL300020287752	0	44	-1.0	-45.39	372.22	8.61	-36.78
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC=CC=C3C2)=C1	REAL300020287752	1	44	-1.0	-45.39	372.17	8.58	-36.81
CC12CC(CC(C)(C)C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020287753	0	53	-1.0	-46.59	409.91	9.91	-36.68
CC12CC(CC(C)(C)C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020287753	1	53	-1.0	-46.56	409.86	9.89	-36.67
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCS(=O)(=O)C1	REAL300020287754	0	43	-1.0	-53.72	377.98	4.09	-49.63
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCS(=O)(=O)C1	REAL300020287754	1	43	-1.0	-53.66	377.93	4.07	-49.59
CCCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287755	0	48	-1.0	-42.37	394.83	8.37	-34.00
CCCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287755	1	48	-1.0	-42.37	394.89	8.38	-33.99
CCCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287756	0	45	-1.0	-43.09	379.56	8.43	-34.66
CCCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287756	1	45	-1.0	-43.06	379.52	8.40	-34.66
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287757	0	44	-1.0	-41.20	383.88	8.96	-32.24
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287757	1	44	-1.0	-41.20	383.82	8.94	-32.26
C=CCN(CC=C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287758	0	41	-1.0	-41.77	358.37	8.48	-33.29
C=CCN(CC=C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287758	1	41	-1.0	-41.78	358.34	8.47	-33.31
COCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287759	0	50	-1.0	-45.25	414.75	5.13	-40.12
COCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287759	1	50	-1.0	-45.27	414.81	5.15	-40.12
COCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287760	0	47	-1.0	-46.77	387.32	4.60	-42.17
COCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287760	1	47	-1.0	-46.71	387.26	4.59	-42.12
OCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287761	0	47	-1.0	-45.24	392.80	6.33	-38.91
OCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287761	1	47	-1.0	-45.26	392.74	6.31	-38.95
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCCCC1	REAL300020287762	0	52	-1.0	-40.27	401.53	10.03	-30.24
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCCCC1	REAL300020287762	1	52	-1.0	-40.23	401.59	10.04	-30.19
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCCCC1	REAL300020287763	0	49	-1.0	-44.06	391.24	8.64	-35.42
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCCCC1	REAL300020287763	1	49	-1.0	-44.03	391.17	8.60	-35.43
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287764	0	49	-1.0	-40.08	410.40	9.92	-30.16
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287764	1	49	-1.0	-40.11	410.46	9.94	-30.17
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287765	0	46	-1.0	-43.93	385.84	9.43	-34.50
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287765	1	46	-1.0	-43.95	385.79	9.41	-34.54
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCCCCC2)=C1	REAL300020287766	0	49	-1.0	-39.85	377.84	10.19	-29.66
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CN(CC1=NOC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287780	0	42	-1.0	-43.62	368.14	7.20	-36.42
CN(CC1=NOC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287780	1	42	-1.0	-43.61	368.19	7.22	-36.39
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CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1C	REAL300020287782	0	52	0.0	-67.49	388.34	7.49	-60.00
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1C	REAL300020287782	1	52	0.0	-63.12	400.47	8.64	-54.48
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1C	REAL300020287782	1	52	0.0	-67.50	388.28	7.47	-60.03
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1C	REAL300020287782	1	52	0.0	-63.12	400.41	8.62	-54.50
CC1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287783	0	46	-1.0	-42.05	376.30	8.59	-33.46
CC1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287783	1	46	-1.0	-42.02	376.36	8.61	-33.41
CC1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287784	0	43	-1.0	-44.37	362.91	8.02	-36.35
CC1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287784	1	43	-1.0	-44.39	362.86	7.99	-36.40
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2=CC=CC=C2)C2CC2)=C1	REAL300020287785	0	47	-1.0	-42.75	399.26	9.77	-32.98
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2=CC=CC=C2)C2CC2)=C1	REAL300020287785	1	47	-1.0	-42.79	399.19	9.75	-33.04
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CC1CN(C)C(=O)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287787	0	47	-1.0	-43.64	393.62	6.06	-37.58
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287787	1	47	-1.0	-43.64	393.68	6.08	-37.56
CC1CN(C)C(=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287788	0	44	-1.0	-47.91	351.15	4.07	-43.84
CC1CN(C)C(=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287788	1	44	-1.0	-47.90	351.08	4.05	-43.85
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CC2CC2)C2CCC2)=C1	REAL300020287789	0	50	-1.0	-39.90	410.84	9.77	-30.13
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CC2CC2)C2CCC2)=C1	REAL300020287789	1	50	-1.0	-39.86	410.89	9.79	-30.07
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2CC2)C2CCC2)=C1	REAL300020287790	0	47	-1.0	-42.55	393.06	9.61	-32.94
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2CC2)C2CCC2)=C1	REAL300020287790	1	47	-1.0	-42.52	393.01	9.59	-32.93
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287791	0	47	-1.0	-40.12	394.99	7.18	-32.94
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287791	1	47	-1.0	-40.14	395.04	7.20	-32.94
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287792	0	44	-1.0	-42.95	374.79	6.47	-36.48
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287792	1	44	-1.0	-42.97	374.74	6.44	-36.53
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287793	0	51	-1.0	-41.12	410.02	9.31	-31.81
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287793	1	51	-1.0	-41.14	410.08	9.33	-31.81
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287794	0	48	-1.0	-41.77	388.89	8.53	-33.24
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287794	1	48	-1.0	-41.77	388.81	8.51	-33.26
CC(C)CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287795	0	52	-1.0	-44.30	418.75	9.16	-35.14
CC(C)CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287795	1	52	-1.0	-44.29	418.69	9.14	-35.15
CCN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287796	0	50	-1.0	-39.95	403.56	7.70	-32.25
CCN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287796	1	50	-1.0	-40.02	403.64	7.70	-32.32
CCN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287797	0	47	-1.0	-42.59	380.13	7.35	-35.24
CCN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287797	1	47	-1.0	-42.56	380.08	7.32	-35.24
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCC2C3)=C1	REAL300020287798	0	44	-1.0	-42.37	356.48	7.54	-34.83
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCC2C3)=C1	REAL300020287798	1	44	-1.0	-42.35	356.54	7.56	-34.79
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCC2C3)=C1	REAL300020287799	0	41	-1.0	-45.33	334.46	7.21	-38.12
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCC2C3)=C1	REAL300020287799	1	41	-1.0	-45.35	334.42	7.18	-38.17
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1CC2=CC=CC=C2C1	REAL300020287800	0	47	-1.0	-44.76	397.19	10.32	-34.44
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CC2=CC=CC=C2C1	REAL300020287800	1	47	-1.0	-44.76	397.13	10.29	-34.47
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287801	0	49	-1.0	-42.40	414.89	7.75	-34.65
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287801	1	49	-1.0	-42.44	414.83	7.74	-34.70
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287802	0	46	-1.0	-44.73	393.58	6.97	-37.76
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287802	1	46	-1.0	-44.73	393.52	6.95	-37.78
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC=C3C2)=C1	REAL300020287803	0	44	-1.0	-41.95	379.11	9.49	-32.46
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC=C3C2)=C1	REAL300020287803	1	44	-1.0	-42.01	379.16	9.50	-32.51
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC=C3C2)=C1	REAL300020287804	0	41	-1.0	-43.20	360.88	8.83	-34.37
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC=C3C2)=C1	REAL300020287804	1	41	-1.0	-43.18	360.82	8.81	-34.37
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3=C(C=CS3)C2)=C1	REAL300020287805	0	44	-1.0	-42.49	390.02	9.32	-33.17
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3=C(C=CS3)C2)=C1	REAL300020287805	1	44	-1.0	-42.43	389.97	9.29	-33.14
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287806	0	47	-1.0	-48.70	403.78	6.55	-42.15
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287806	1	47	-1.0	-48.67	403.72	6.53	-42.14
CCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287807	0	52	-1.0	-44.18	423.51	7.55	-36.63
CCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287807	1	52	-1.0	-44.15	423.56	7.56	-36.59
CCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287808	0	49	-1.0	-45.21	397.18	7.03	-38.18
CCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287808	1	49	-1.0	-45.21	397.11	7.02	-38.19
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287809	0	47	-1.0	-48.07	392.00	6.12	-41.95
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287809	1	47	-1.0	-48.07	392.05	6.13	-41.94
CC1C(=O)N(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287810	0	44	-1.0	-44.24	374.32	6.00	-38.24
CC1C(=O)N(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287810	1	44	-1.0	-44.23	374.26	5.98	-38.25
CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287811	0	46	-1.0	-42.02	371.83	8.22	-33.80
CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287811	1	46	-1.0	-42.08	371.89	8.24	-33.84
CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287812	0	43	-1.0	-45.37	348.18	7.77	-37.60
CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287812	1	43	-1.0	-45.32	348.13	7.76	-37.56
C=CCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287813	0	53	-1.0	-42.95	427.61	10.46	-32.49
C=CCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287813	1	53	-1.0	-43.02	427.56	10.43	-32.59
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287814	0	46	-1.0	-41.34	381.19	8.30	-33.04
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287814	1	46	-1.0	-41.31	381.24	8.31	-33.00
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287815	0	43	-1.0	-43.70	363.95	7.75	-35.95
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287815	1	43	-1.0	-43.70	363.90	7.72	-35.98
OCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C1CC1	REAL300020287816	0	50	-1.0	-42.87	418.91	6.55	-36.32
OCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C1CC1	REAL300020287816	1	50	-1.0	-42.86	418.97	6.55	-36.31
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CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC(C2CC2)O1	REAL300020287852	0	48	-1.0	-43.70	387.84	8.62	-35.08
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C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C[C@H](C)O1	REAL300020287854	0	47	-1.0	-40.43	397.04	7.49	-32.94
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C[C@H](C)O1	REAL300020287854	1	47	-1.0	-40.45	397.10	7.51	-32.94
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C[C@H](C)O1	REAL300020287855	0	44	-1.0	-43.05	366.60	7.00	-36.05
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C[C@H](C)O1	REAL300020287855	1	44	-1.0	-43.05	366.54	6.98	-36.07
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CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC(C)O1	REAL300020287861	1	47	-1.0	-41.68	392.12	7.74	-33.94
CN(CCC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287862	0	42	-1.0	-43.49	381.57	8.13	-35.36
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CN(CCC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287863	0	39	-1.0	-42.25	358.72	7.28	-34.97
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CC(C)(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287866	1	52	-1.0	-41.35	406.29	9.56	-31.79
CC(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287867	0	49	-1.0	-43.65	392.72	8.97	-34.68
CC(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287867	1	49	-1.0	-43.63	392.67	8.95	-34.68
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1(C)C	REAL300020287868	0	52	-1.0	-40.53	389.86	8.97	-31.56
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1(C)C	REAL300020287868	1	52	-1.0	-40.51	389.92	8.99	-31.52
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1(C)C	REAL300020287869	0	49	-1.0	-42.73	368.41	8.23	-34.50
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1(C)C	REAL300020287869	1	49	-1.0	-42.73	368.41	8.21	-34.52
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(CC3)C2)=C1	REAL300020287870	0	47	-1.0	-40.14	395.72	9.74	-30.40
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(CC3)C2)=C1	REAL300020287870	1	47	-1.0	-40.13	395.78	9.75	-30.38
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CC3)C2)=C1	REAL300020287871	0	44	-1.0	-43.95	366.44	9.17	-34.78
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CC3)C2)=C1	REAL300020287871	1	44	-1.0	-43.82	366.41	9.14	-34.68
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287872	0	52	-1.0	-42.65	405.98	9.36	-33.29
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287872	1	52	-1.0	-42.65	405.93	9.34	-33.31
CC(C)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287873	0	52	-1.0	-42.46	406.30	9.26	-33.20
CC(C)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287873	1	52	-1.0	-42.46	406.25	9.23	-33.23
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287874	0	52	-1.0	-40.45	415.37	10.08	-30.37
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287874	1	52	-1.0	-40.43	415.43	10.10	-30.33
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287875	0	49	-1.0	-44.32	401.57	9.09	-35.23
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287875	1	49	-1.0	-44.31	401.51	9.07	-35.24
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287876	0	47	-1.0	-40.54	394.01	7.06	-33.48
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287876	1	47	-1.0	-40.58	394.07	7.07	-33.51
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287877	0	44	-1.0	-43.76	366.11	6.65	-37.11
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287877	1	44	-1.0	-43.75	366.05	6.63	-37.12
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287878	0	52	-1.0	-40.92	406.90	9.46	-31.46
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287878	1	52	-1.0	-40.94	406.95	9.47	-31.47
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287879	0	49	-1.0	-44.21	384.01	8.99	-35.22
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287879	1	49	-1.0	-44.21	383.94	8.97	-35.24
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287880	0	47	-1.0	-41.06	399.28	9.44	-31.62
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287880	1	47	-1.0	-41.08	399.34	9.46	-31.62
C=CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287881	0	44	-1.0	-43.04	371.41	8.78	-34.26
C=CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287881	1	44	-1.0	-43.07	371.35	8.76	-34.31
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287882	0	42	-1.0	-41.40	363.44	7.75	-33.65
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287882	1	42	-1.0	-41.41	363.49	7.77	-33.64
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287883	0	39	-1.0	-42.32	342.00	6.98	-35.34
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287883	1	39	-1.0	-42.32	341.94	6.96	-35.36
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=CC=CS1	REAL300020287884	0	46	-1.0	-42.47	383.30	9.70	-32.77
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=CC=CS1	REAL300020287884	1	46	-1.0	-42.50	383.32	9.69	-32.81
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC([NH+]3CCCC3)CC2)=C1	REAL300020287885	0	53	0.0	-65.71	421.67	9.54	-56.17
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC([NH+]3CCCC3)CC2)=C1	REAL300020287885	1	53	0.0	-65.70	421.61	9.52	-56.18
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN(C3CC3)CC2)=C1	REAL300020287886	0	49	-1.0	-41.25	406.88	7.09	-34.16
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN(C3CC3)CC2)=C1	REAL300020287886	1	49	-1.0	-41.22	406.94	7.11	-34.11
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CC3)CC2)=C1	REAL300020287886	1	50	0.0	-68.08	414.06	9.54	-58.54
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(C3CC3)CC2)=C1	REAL300020287887	0	46	-1.0	-43.42	380.56	6.48	-36.94
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(C3CC3)CC2)=C1	REAL300020287887	1	46	-1.0	-43.41	380.62	6.51	-36.90
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CC3)CC2)=C1	REAL300020287887	1	47	0.0	-63.89	392.55	8.76	-55.13
CN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287888	0	47	-1.0	-40.47	387.93	7.68	-32.79
CN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287888	1	47	-1.0	-40.50	387.99	7.69	-32.81
CN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287889	0	44	-1.0	-42.94	364.28	7.21	-35.73
CN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287889	1	44	-1.0	-42.85	364.18	7.20	-35.65
FC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287890	0	43	-1.0	-42.66	377.10	8.43	-34.23
FC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287890	1	43	-1.0	-42.69	377.15	8.45	-34.24
FC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287891	0	40	-1.0	-43.02	355.65	7.66	-35.36
FC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287891	1	40	-1.0	-43.03	355.60	7.64	-35.39
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)=C1	REAL300020287892	0	49	-1.0	-39.72	421.03	10.48	-29.24
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)=C1	REAL300020287892	1	49	-1.0	-39.73	421.08	10.50	-29.23
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)=C1	REAL300020287893	0	46	-1.0	-42.09	399.59	9.71	-32.38
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)=C1	REAL300020287893	1	46	-1.0	-42.12	399.53	9.69	-32.43
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287894	0	44	-1.0	-43.86	395.38	9.65	-34.21
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287894	1	44	-1.0	-43.87	395.32	9.65	-34.22
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287895	0	44	-1.0	-44.93	392.64	9.83	-35.10
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287895	1	44	-1.0	-44.93	392.57	9.82	-35.11
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC(C)(C)C1	REAL300020287896	0	52	-1.0	-42.96	413.18	9.51	-33.45
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC(C)(C)C1	REAL300020287896	1	52	-1.0	-42.92	413.12	9.49	-33.43
CC(C)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287897	0	52	-1.0	-42.32	420.96	10.00	-32.32
CC(C)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287897	1	52	-1.0	-42.35	420.91	9.96	-32.39
CCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287898	0	45	-1.0	-40.27	373.70	7.80	-32.47
CCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287898	1	45	-1.0	-40.28	373.76	7.82	-32.46
CCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287899	0	42	-1.0	-42.00	351.61	6.99	-35.01
CCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287899	1	42	-1.0	-42.01	351.49	6.96	-35.05
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=CC=CS1	REAL300020287900	0	49	-1.0	-42.62	407.88	9.91	-32.71
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=CC=CS1	REAL300020287900	1	49	-1.0	-42.56	407.91	9.90	-32.66
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C[C@@H]1OC	REAL300020287901	0	48	-1.0	-43.92	403.93	6.47	-37.45
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C[C@@H]1OC	REAL300020287901	1	48	-1.0	-43.90	403.99	6.48	-37.42
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C[C@@H]1OC	REAL300020287902	0	45	-1.0	-47.48	389.71	5.80	-41.68
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C[C@@H]1OC	REAL300020287902	1	45	-1.0	-47.49	389.65	5.77	-41.72
CN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287903	0	52	-1.0	-41.04	429.15	8.31	-32.73
CN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287903	1	52	-1.0	-41.06	429.20	8.33	-32.73
CN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287904	0	49	-1.0	-42.08	407.66	7.54	-34.54
CN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287904	1	49	-1.0	-42.05	407.60	7.52	-34.53
CNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287905	0	47	-1.0	-50.80	400.70	5.62	-45.18
CNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287905	1	47	-1.0	-50.79	400.64	5.59	-45.20
O=C1CC2(CN1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)CC2	REAL300020287906	0	48	-1.0	-47.36	394.05	5.65	-41.71
O=C1CC2(CN1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)CC2	REAL300020287906	1	48	-1.0	-47.38	393.99	5.63	-41.75
CNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287907	0	46	-1.0	-51.06	381.61	5.63	-45.43
CNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287907	1	46	-1.0	-51.06	381.55	5.61	-45.45
CNC(=O)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287908	0	49	-1.0	-44.71	421.54	5.98	-38.73
CNC(=O)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287908	1	49	-1.0	-44.71	421.59	6.00	-38.71
CNC(=O)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287909	0	46	-1.0	-47.19	401.63	5.32	-41.87
CNC(=O)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287909	1	46	-1.0	-47.16	401.57	5.29	-41.87
CNC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287910	0	47	-1.0	-56.20	395.86	5.22	-50.98
CNC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287910	1	47	-1.0	-56.22	395.80	5.20	-51.02
CNC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020287911	0	45	-1.0	-47.09	393.51	4.44	-42.65
CNC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020287911	1	45	-1.0	-47.13	393.46	4.41	-42.72
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287912	0	49	-1.0	-51.05	414.52	6.01	-45.04
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287912	1	49	-1.0	-51.04	414.58	6.02	-45.02
CNC(=O)C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287913	0	46	-1.0	-48.90	390.48	5.97	-42.93
CNC(=O)C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287913	1	46	-1.0	-48.95	390.43	5.94	-43.01
O=C1NCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)CCN12	REAL300020287914	0	44	-1.0	-49.22	380.09	4.40	-44.82
O=C1NCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)CCN12	REAL300020287914	1	44	-1.0	-49.21	380.04	4.37	-44.84
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287915	0	49	-1.0	-45.04	421.14	6.04	-39.00
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287915	1	49	-1.0	-45.01	421.09	6.02	-38.99
FC(F)(F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287916	0	43	-1.0	-40.89	380.44	8.37	-32.52
FC(F)(F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287916	1	43	-1.0	-40.86	380.50	8.39	-32.47
FC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287917	0	40	-1.0	-44.46	351.66	7.76	-36.70
FC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287917	1	40	-1.0	-44.47	351.72	7.77	-36.70
FC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287918	0	37	-1.0	-44.89	330.23	7.00	-37.89
FC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287918	1	37	-1.0	-44.92	330.17	6.97	-37.95
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287919	0	52	0.0	-68.83	418.64	7.77	-61.06
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287919	1	52	0.0	-68.78	418.59	7.75	-61.03
CCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287920	0	47	-1.0	-46.52	387.47	7.52	-39.00
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CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287970	0	50	-1.0	-44.40	409.37	8.22	-36.18
CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287970	1	50	-1.0	-44.42	409.43	8.23	-36.19
CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287971	0	47	-1.0	-45.32	386.58	7.84	-37.48
CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287971	1	47	-1.0	-45.29	386.52	7.83	-37.46
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[NH+](CC3CC3)CC2)=C1	REAL300020287972	0	53	0.0	-71.62	433.86	10.33	-61.29
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](CC3CC3)CC2)=C1	REAL300020287972	1	53	0.0	-71.66	433.92	10.35	-61.31
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](CC3CC3)CC2)=C1	REAL300020287973	0	50	0.0	-68.06	406.13	9.67	-58.39
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](CC3CC3)CC2)=C1	REAL300020287973	1	50	0.0	-68.07	406.08	9.64	-58.43
CC1=NOC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287974	0	48	-1.0	-40.46	408.41	8.56	-31.90
CC1=NOC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287974	1	48	-1.0	-40.48	408.46	8.58	-31.90
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287975	0	45	-1.0	-43.93	378.87	7.55	-36.38
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287975	1	45	-1.0	-43.93	378.81	7.52	-36.41
CN(CCC1=NC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287976	0	42	-1.0	-45.40	386.71	7.11	-38.29
CN(CCC1=NC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287976	1	42	-1.0	-45.35	386.65	7.09	-38.26
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2=CC=CS2)=C1	REAL300020287977	0	44	-1.0	-45.18	393.77	9.46	-35.72
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2=CC=CS2)=C1	REAL300020287977	1	44	-1.0	-45.16	393.71	9.43	-35.73
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(C2)CCOCC3)=C1	REAL300020287978	0	48	-1.0	-44.85	388.59	7.20	-37.65
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(C2)CCOCC3)=C1	REAL300020287978	1	48	-1.0	-44.84	388.53	7.18	-37.66
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCS1	REAL300020287979	0	47	-1.0	-41.73	388.72	9.37	-32.36
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCS1	REAL300020287979	1	47	-1.0	-41.65	388.61	9.34	-32.31
COC(=O)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287980	0	43	-1.0	-47.00	377.32	7.47	-39.53
COC(=O)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287980	1	43	-1.0	-46.98	377.26	7.45	-39.53
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020287981	0	44	-1.0	-40.40	351.52	5.58	-34.82
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020287981	1	44	-1.0	-40.35	351.57	5.59	-34.76
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020287982	0	41	-1.0	-42.21	355.22	5.82	-36.39
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020287982	1	41	-1.0	-42.21	355.17	5.78	-36.43
CC1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)S1	REAL300020287983	0	42	-1.0	-43.64	378.66	7.38	-36.26
CC1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)S1	REAL300020287983	1	42	-1.0	-43.59	378.60	7.36	-36.23
CN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287984	0	43	-1.0	-41.36	369.13	8.68	-32.68
CN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287984	1	43	-1.0	-41.40	369.19	8.69	-32.71
CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287985	0	40	-1.0	-43.29	343.64	8.09	-35.20
CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287985	1	40	-1.0	-43.29	343.57	8.08	-35.21
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=CC=CS1	REAL300020287986	0	47	-1.0	-42.42	393.51	10.51	-31.91
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=CC=CS1	REAL300020287986	1	47	-1.0	-42.40	393.55	10.50	-31.90
CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287987	0	46	-1.0	-42.55	402.64	10.07	-32.48
CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287987	1	46	-1.0	-42.59	402.70	10.09	-32.50
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287988	0	43	-1.0	-43.46	381.23	9.31	-34.15
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287988	1	43	-1.0	-43.48	381.17	9.28	-34.20
CC(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287989	0	48	-1.0	-41.37	402.50	9.03	-32.34
CC(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287989	1	48	-1.0	-41.36	402.56	9.04	-32.32
CC(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287990	0	45	-1.0	-42.22	381.07	8.26	-33.96
CC(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287990	1	45	-1.0	-42.20	381.01	8.23	-33.97
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287991	0	46	-1.0	-45.56	392.54	8.20	-37.36
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287991	1	46	-1.0	-45.56	392.60	8.22	-37.34
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020287992	0	43	-1.0	-44.86	374.70	7.47	-37.39
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020287992	1	43	-1.0	-44.88	374.64	7.45	-37.43
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020287993	0	45	-1.0	-47.22	379.70	6.58	-40.64
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020287993	1	45	-1.0	-47.19	379.65	6.56	-40.63
CN(CC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287994	0	48	-1.0	-42.12	382.70	9.15	-32.97
CN(CC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287994	1	48	-1.0	-42.11	382.76	9.16	-32.95
CN(CC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287995	0	45	-1.0	-42.41	364.90	8.18	-34.23
CN(CC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287995	1	45	-1.0	-42.42	364.84	8.15	-34.27
CN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287996	0	43	-1.0	-41.36	369.13	8.68	-32.68
CN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287996	1	43	-1.0	-41.40	369.19	8.69	-32.71
CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287997	0	40	-1.0	-43.29	343.64	8.09	-35.20
CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287997	1	40	-1.0	-43.29	343.57	8.08	-35.21
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=CC=CS1	REAL300020287998	0	47	-1.0	-42.42	393.51	10.51	-31.91
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=CC=CS1	REAL300020287998	1	47	-1.0	-42.40	393.55	10.50	-31.90
CN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020287999	0	46	-1.0	-41.37	395.05	9.31	-32.06
CN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020287999	1	46	-1.0	-41.39	395.11	9.33	-32.06
CN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288000	0	43	-1.0	-41.48	372.20	8.47	-33.01
CN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288000	1	43	-1.0	-41.47	372.14	8.45	-33.02
COCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288001	0	46	-1.0	-41.50	397.11	6.83	-34.67
COCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288001	1	46	-1.0	-41.50	397.17	6.84	-34.66
COCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288002	0	43	-1.0	-42.93	370.09	6.16	-36.77
COCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288002	1	43	-1.0	-42.99	370.03	6.14	-36.85
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC(C)S1	REAL300020288003	0	47	-1.0	-41.15	402.10	9.57	-31.58
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC(C)S1	REAL300020288003	1	47	-1.0	-41.19	402.16	9.58	-31.61
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC(C)S1	REAL300020288004	0	44	-1.0	-41.62	372.25	9.05	-32.57
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC(C)S1	REAL300020288004	1	44	-1.0	-41.62	372.19	9.04	-32.58
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288005	0	44	-1.0	-42.33	386.74	6.29	-36.04
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288005	1	44	-1.0	-42.32	386.80	6.31	-36.01
CN(CC1=CN=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288006	0	41	-1.0	-46.47	359.74	5.66	-40.81
CN(CC1=CN=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288006	1	41	-1.0	-46.43	359.68	5.65	-40.78
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=C1	REAL300020288007	0	53	0.0	-66.27	420.77	9.93	-56.34
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[N@H+]3CCCCC3C2)=C1	REAL300020288007	1	53	0.0	-64.25	424.74	9.76	-54.49
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=C1	REAL300020288007	1	53	0.0	-66.29	420.83	9.95	-56.34
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@H+]3CCCCC3C2)=C1	REAL300020288007	1	53	0.0	-64.25	424.79	9.78	-54.47
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN3CCCCC3C2)=C1	REAL300020288007	1	52	-1.0	-40.23	393.36	6.40	-33.83
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=C1	REAL300020288008	0	50	0.0	-67.44	392.73	9.36	-58.08
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@H+]3CCCCC3C2)=C1	REAL300020288008	1	50	0.0	-69.81	376.81	8.40	-61.41
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=C1	REAL300020288008	1	50	0.0	-67.44	392.69	9.33	-58.11
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@H+]3CCCCC3C2)=C1	REAL300020288008	1	50	0.0	-69.82	376.77	8.39	-61.43
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN3CCCCC3C2)=C1	REAL300020288008	1	49	-1.0	-43.45	396.68	6.95	-36.50
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN3CCCCC3C2)=C1	REAL300020288008	1	49	-1.0	-43.45	396.62	6.93	-36.52
CC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288009	0	45	-1.0	-41.85	376.71	8.83	-33.02
CC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288009	1	45	-1.0	-41.87	376.77	8.85	-33.02
CC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288010	0	42	-1.0	-42.42	355.17	8.06	-34.36
CC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288010	1	42	-1.0	-42.39	355.11	8.04	-34.35
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=CC=CS1	REAL300020288011	0	49	-1.0	-42.54	400.46	10.55	-31.99
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=CC=CS1	REAL300020288011	1	49	-1.0	-42.41	400.51	10.54	-31.87
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(N3C=NC=N3)CC2)=C1	REAL300020288012	0	46	-1.0	-47.66	386.39	9.84	-37.82
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(N3C=NC=N3)CC2)=C1	REAL300020288012	1	46	-1.0	-47.67	386.33	9.82	-37.85
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288013	0	42	-1.0	-41.40	363.44	7.75	-33.65
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288013	1	42	-1.0	-41.41	363.49	7.77	-33.64
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288014	0	39	-1.0	-42.32	342.00	6.98	-35.34
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288014	1	39	-1.0	-42.32	341.94	6.96	-35.36
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=CC=CS1	REAL300020288015	0	46	-1.0	-42.47	383.30	9.70	-32.77
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=CC=CS1	REAL300020288015	1	46	-1.0	-42.50	383.32	9.69	-32.81
CN(CC1CCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288016	0	49	-1.0	-40.07	402.07	9.80	-30.27
CN(CC1CCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288016	1	49	-1.0	-40.10	402.12	9.82	-30.28
CN(CC1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288017	0	46	-1.0	-41.57	381.10	9.05	-32.52
CN(CC1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288017	1	46	-1.0	-41.58	381.03	9.03	-32.55
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288018	0	47	-1.0	-42.33	399.94	7.01	-35.32
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CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288056	1	47	-1.0	-48.87	393.47	7.16	-41.71
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CC1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288059	0	46	-1.0	-43.31	371.04	9.28	-34.03
CC1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288059	1	46	-1.0	-43.33	370.99	9.25	-34.08
CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288060	0	45	-1.0	-41.29	384.93	8.54	-32.75
CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288060	1	45	-1.0	-41.31	384.99	8.55	-32.76
CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288061	0	42	-1.0	-42.85	357.91	7.87	-34.98
CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288061	1	42	-1.0	-42.87	357.85	7.85	-35.02
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=CC=CS1	REAL300020288062	0	49	-1.0	-42.31	404.80	10.48	-31.83
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=CC=CS1	REAL300020288062	1	49	-1.0	-42.27	404.82	10.47	-31.80
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288063	0	47	-1.0	-46.04	394.67	4.96	-41.08
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288063	1	47	-1.0	-46.05	394.74	4.97	-41.08
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288064	0	44	-1.0	-49.58	371.84	4.49	-45.09
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288064	1	44	-1.0	-49.63	371.78	4.47	-45.16
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288065	0	46	-1.0	-40.44	380.28	8.85	-31.59
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288065	1	46	-1.0	-40.47	380.34	8.87	-31.60
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288066	0	43	-1.0	-41.92	363.90	8.07	-33.85
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288066	1	43	-1.0	-41.91	363.85	8.04	-33.87
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288067	0	44	-1.0	-47.44	377.60	6.96	-40.48
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288067	1	44	-1.0	-47.41	377.41	6.94	-40.47
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC([NH+]3CCCCC3)C2)=C1	REAL300020288068	0	53	0.0	-63.08	418.90	9.85	-53.23
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC([NH+]3CCCCC3)C2)=C1	REAL300020288068	1	53	0.0	-63.07	418.84	9.82	-53.25
CN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288069	0	43	-1.0	-44.16	386.56	9.21	-34.95
CN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288069	1	43	-1.0	-44.26	386.45	9.18	-35.08
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288070	0	52	-1.0	-40.66	400.91	9.27	-31.39
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288070	1	52	-1.0	-40.64	400.96	9.28	-31.36
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288071	0	49	-1.0	-43.35	392.82	9.88	-33.47
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288071	1	49	-1.0	-43.36	392.77	9.87	-33.49
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288072	0	47	-1.0	-51.31	397.73	5.96	-45.35
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288072	1	47	-1.0	-51.27	397.67	5.94	-45.33
CN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288073	0	43	-1.0	-40.68	385.42	9.17	-31.51
CN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288073	1	43	-1.0	-40.74	385.47	9.18	-31.56
CN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288074	0	40	-1.0	-41.17	368.49	8.20	-32.97
CN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288074	1	40	-1.0	-41.16	368.44	8.18	-32.98
COC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288075	0	47	-1.0	-44.39	387.51	7.25	-37.14
COC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288075	1	47	-1.0	-44.40	387.57	7.27	-37.13
COC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288076	0	44	-1.0	-43.92	375.74	6.49	-37.43
COC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288076	1	44	-1.0	-43.87	375.69	6.46	-37.41
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288077	0	50	-1.0	-42.54	419.54	8.00	-34.54
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288077	1	50	-1.0	-42.64	419.60	8.02	-34.62
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288078	0	47	-1.0	-42.59	396.96	7.17	-35.42
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288078	1	47	-1.0	-42.53	396.90	7.14	-35.39
O=S1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288079	0	42	-1.0	-46.17	369.47	5.39	-40.78
O=S1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288079	1	42	-1.0	-46.11	369.53	5.41	-40.70
O=S1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288080	0	39	-1.0	-49.01	347.10	4.89	-44.12
O=S1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288080	1	39	-1.0	-49.01	347.04	4.88	-44.13
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288081	0	44	-1.0	-41.12	372.13	8.91	-32.21
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288081	1	44	-1.0	-41.12	372.19	8.93	-32.19
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288082	0	41	-1.0	-42.41	356.86	8.01	-34.40
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288082	1	41	-1.0	-42.37	356.80	7.98	-34.39
CN(CC1CCCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288083	0	50	-1.0	-40.21	411.07	8.23	-31.98
CN(CC1CCCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288083	1	50	-1.0	-40.21	411.12	8.24	-31.97
CN(CC1CCCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288084	0	47	-1.0	-43.04	375.83	7.10	-35.94
CN(CC1CCCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288084	1	47	-1.0	-43.10	375.77	7.07	-36.03
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288085	0	42	-1.0	-43.70	375.16	6.44	-37.26
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288085	1	42	-1.0	-43.70	375.22	6.45	-37.25
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288086	0	39	-1.0	-45.27	354.38	5.71	-39.56
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288086	1	39	-1.0	-45.25	354.32	5.69	-39.56
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288087	0	46	-1.0	-42.42	399.87	7.83	-34.59
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288087	1	46	-1.0	-42.41	399.81	7.81	-34.60
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288088	0	43	-1.0	-45.13	372.83	7.19	-37.94
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288088	1	43	-1.0	-45.11	372.77	7.17	-37.94
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288089	0	48	-1.0	-42.45	406.68	8.15	-34.30
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288089	1	48	-1.0	-42.47	406.74	8.17	-34.30
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288090	0	45	-1.0	-42.46	385.23	7.39	-35.07
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288090	1	45	-1.0	-42.47	385.18	7.37	-35.10
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288091	0	46	-1.0	-40.92	377.35	8.45	-32.47
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288091	1	46	-1.0	-40.92	377.40	8.46	-32.46
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288092	0	43	-1.0	-44.18	354.70	7.98	-36.20
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288092	1	43	-1.0	-44.15	354.63	7.97	-36.18
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288093	0	52	-1.0	-42.54	410.98	9.96	-32.58
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288093	1	52	-1.0	-42.55	411.04	9.97	-32.58
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288094	0	49	-1.0	-42.46	399.13	9.37	-33.09
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288094	1	49	-1.0	-42.44	399.07	9.34	-33.10
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288095	0	50	-1.0	-42.93	412.54	7.78	-35.15
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288095	1	50	-1.0	-42.92	412.60	7.79	-35.13
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288096	0	47	-1.0	-46.64	396.49	6.89	-39.75
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288096	1	47	-1.0	-46.66	396.44	6.86	-39.80
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(CCC3)C2)=C1	REAL300020288097	0	50	-1.0	-42.54	399.85	9.91	-32.63
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(CCC3)C2)=C1	REAL300020288097	1	50	-1.0	-42.56	399.90	9.93	-32.63
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCC3)C2)=C1	REAL300020288098	0	47	-1.0	-42.68	383.60	9.36	-33.32
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCC3)C2)=C1	REAL300020288098	1	47	-1.0	-42.67	383.53	9.35	-33.32
OC1C2CCCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288099	0	48	-1.0	-43.94	380.66	7.40	-36.54
OC1C2CCCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288099	1	48	-1.0	-43.92	380.60	7.37	-36.55
CO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288100	0	44	-1.0	-40.31	378.39	6.73	-33.58
CO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288100	1	44	-1.0	-40.31	378.44	6.74	-33.57
CO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288101	0	41	-1.0	-41.79	349.34	5.80	-35.99
CO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288101	1	41	-1.0	-41.84	349.28	5.78	-36.06
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1C	REAL300020288102	0	49	-1.0	-39.79	399.35	9.49	-30.30
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1C	REAL300020288102	1	49	-1.0	-39.82	399.40	9.50	-30.32
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1C	REAL300020288103	0	46	-1.0	-43.44	370.17	8.90	-34.54
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1C	REAL300020288103	1	46	-1.0	-43.44	370.10	8.89	-34.55
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288104	0	44	-1.0	-41.82	378.40	6.38	-35.44
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288104	1	44	-1.0	-41.77	378.46	6.40	-35.37
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288105	0	41	-1.0	-45.96	357.18	5.50	-40.46
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288105	1	41	-1.0	-45.97	357.12	5.48	-40.49
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288106	0	49	-1.0	-39.95	403.64	9.68	-30.27
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288106	1	49	-1.0	-39.96	403.70	9.69	-30.27
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288107	0	46	-1.0	-42.27	382.32	8.73	-33.54
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288107	1	46	-1.0	-42.29	382.26	8.71	-33.58
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC(C)(C)C1	REAL300020288108	0	52	-1.0	-42.27	417.46	10.35	-31.92
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC(C)(C)C1	REAL300020288108	1	52	-1.0	-42.27	417.52	10.37	-31.90
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC(C)(C)C1	REAL300020288109	0	49	-1.0	-42.83	387.90	9.52	-33.31
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC(C)(C)C1	REAL300020288109	1	49	-1.0	-42.83	387.84	9.49	-33.34
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288110	0	52	-1.0	-41.40	440.74	10.66	-30.74
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288110	1	52	-1.0	-41.42	440.80	10.67	-30.75
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288111	0	49	-1.0	-42.25	419.31	9.89	-32.36
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288111	1	49	-1.0	-42.24	419.25	9.87	-32.37
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCS1	REAL300020288112	0	47	-1.0	-38.70	404.60	9.35	-29.35
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCS1	REAL300020288112	1	47	-1.0	-38.73	404.66	9.37	-29.36
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCS1	REAL300020288113	0	44	-1.0	-42.29	375.35	8.94	-33.35
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCS1	REAL300020288113	1	44	-1.0	-42.26	375.27	8.92	-33.34
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1C	REAL300020288114	0	46	-1.0	-41.05	375.97	8.65	-32.40
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1C	REAL300020288114	1	46	-1.0	-41.06	376.03	8.67	-32.39
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1C	REAL300020288115	0	43	-1.0	-43.27	358.36	8.17	-35.10
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1C	REAL300020288115	1	43	-1.0	-43.25	358.31	8.14	-35.11
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCS1	REAL300020288116	0	47	-1.0	-41.40	397.83	9.66	-31.74
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCS1	REAL300020288116	1	47	-1.0	-41.42	397.89	9.68	-31.74
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCS1	REAL300020288117	0	44	-1.0	-41.02	374.81	9.02	-32.00
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCS1	REAL300020288117	1	44	-1.0	-41.00	374.75	8.99	-32.01
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3OCCCC3C2)=C1	REAL300020288118	0	48	-1.0	-43.16	386.21	7.93	-35.23
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3OCCCC3C2)=C1	REAL300020288118	1	48	-1.0	-43.14	386.16	7.90	-35.24
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288119	0	50	-1.0	-40.02	394.24	7.19	-32.83
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288119	1	50	-1.0	-40.04	394.30	7.20	-32.84
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288120	0	47	-1.0	-41.93	397.32	7.61	-34.32
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288120	1	47	-1.0	-41.92	397.27	7.58	-34.34
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288121	0	52	-1.0	-43.30	403.40	10.18	-33.12
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288121	1	52	-1.0	-44.66	406.47	10.34	-34.32
CNC(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288122	0	46	-1.0	-51.36	401.55	5.27	-46.09
CNC(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288122	1	46	-1.0	-51.41	401.61	5.29	-46.12
CNC(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288123	0	43	-1.0	-51.57	380.11	4.50	-47.07
CNC(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288123	1	43	-1.0	-51.55	380.05	4.48	-47.07
CN(CC1=CSC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288124	0	43	-1.0	-39.41	386.60	8.72	-30.69
CN(CC1=CSC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288124	1	43	-1.0	-39.39	386.65	8.73	-30.66
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COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288140	0	45	-1.0	-42.22	388.68	5.26	-36.96
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288140	1	45	-1.0	-42.18	388.62	5.23	-36.95
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CN(CC1=NC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288142	0	42	-1.0	-39.94	378.18	7.25	-32.69
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CCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288144	1	50	-1.0	-43.13	414.74	8.27	-34.86
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CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288157	0	44	-1.0	-43.34	361.90	7.01	-36.33
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288157	1	44	-1.0	-43.36	361.85	6.98	-36.38
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CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288171	1	47	-1.0	-43.97	408.53	8.75	-35.22
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COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288174	0	47	-1.0	-39.41	393.33	7.32	-32.09
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288174	1	47	-1.0	-39.42	393.39	7.34	-32.08
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288175	0	44	-1.0	-41.12	375.01	6.66	-34.46
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288175	1	44	-1.0	-41.13	374.95	6.63	-34.50
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288176	0	49	-1.0	-43.95	410.36	4.69	-39.26
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288176	1	49	-1.0	-43.98	410.42	4.72	-39.26
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CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288242	1	48	-1.0	-41.76	393.90	6.22	-35.54
COCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288243	0	43	-1.0	-41.50	372.93	6.18	-35.32
COCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288243	1	43	-1.0	-41.54	372.99	6.20	-35.34
COCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288244	0	40	-1.0	-42.54	351.40	5.41	-37.13
COCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288244	1	40	-1.0	-42.54	351.35	5.39	-37.15
COCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=CC=CS1	REAL300020288245	0	47	-1.0	-43.29	395.26	8.01	-35.28
COCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=CC=CS1	REAL300020288245	1	47	-1.0	-43.23	395.30	8.00	-35.23
CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288246	0	49	-1.0	-40.29	400.19	8.46	-31.83
CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288246	1	49	-1.0	-40.30	400.24	8.47	-31.83
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CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288247	1	46	-1.0	-44.04	378.25	7.84	-36.20
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CN(CC1=CC=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288249	0	42	-1.0	-43.24	373.65	7.53	-35.71
CN(CC1=CC=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288249	1	42	-1.0	-43.28	373.59	7.50	-35.78
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CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288252	0	49	-1.0	-39.82	413.01	10.67	-29.15
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288252	1	49	-1.0	-39.81	413.07	10.69	-29.12
CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288253	0	46	-1.0	-43.64	386.26	10.03	-33.61
CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288253	1	46	-1.0	-43.64	386.19	10.01	-33.63
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C1=CC=CC=C1	REAL300020288254	0	43	-1.0	-44.24	375.95	10.30	-33.94
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C1=CC=CC=C1	REAL300020288254	1	43	-1.0	-44.25	375.89	10.28	-33.97
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1=CC=CC=C1	REAL300020288255	0	40	-1.0	-45.34	334.15	10.43	-34.91
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1=CC=CC=C1	REAL300020288255	1	40	-1.0	-45.28	334.08	10.40	-34.88
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCOCC2)=C1	REAL300020288256	0	44	-1.0	-41.12	362.80	6.49	-34.63
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCOCC2)=C1	REAL300020288256	1	44	-1.0	-41.09	362.85	6.51	-34.58
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCOCC2)=C1	REAL300020288257	0	41	-1.0	-44.37	336.78	6.18	-38.19
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCOCC2)=C1	REAL300020288257	1	41	-1.0	-44.33	336.73	6.16	-38.17
COC1=CC=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C=C1	REAL300020288258	0	44	-1.0	-42.45	385.32	9.66	-32.79
COC1=CC=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C=C1	REAL300020288258	1	44	-1.0	-42.47	385.26	9.65	-32.82
COC1=CC=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C=C1	REAL300020288259	0	41	-1.0	-44.97	362.13	8.94	-36.03
COC1=CC=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C=C1	REAL300020288259	1	41	-1.0	-44.94	362.07	8.91	-36.03
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCSC1	REAL300020288260	0	44	-1.0	-41.16	381.04	8.40	-32.76
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCSC1	REAL300020288260	1	44	-1.0	-41.15	381.10	8.41	-32.74
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCSC1	REAL300020288261	0	41	-1.0	-44.05	354.69	7.78	-36.27
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCSC1	REAL300020288261	1	41	-1.0	-44.03	354.63	7.76	-36.27
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288262	0	52	0.0	-64.16	405.67	9.20	-54.96
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C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCCCCC2)=C1	REAL300020288264	0	49	-1.0	-43.47	356.40	9.21	-34.26
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCCCCC2)=C1	REAL300020288264	1	49	-1.0	-43.42	356.34	9.19	-34.23
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOCC3(CC3)C2)=C1	REAL300020288265	0	48	-1.0	-39.93	375.44	6.81	-33.12
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOCC3(CC3)C2)=C1	REAL300020288265	1	48	-1.0	-39.94	375.52	6.82	-33.12
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOCC3(CC3)C2)=C1	REAL300020288266	0	45	-1.0	-44.68	366.91	7.21	-37.47
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOCC3(CC3)C2)=C1	REAL300020288266	1	45	-1.0	-44.70	366.84	7.20	-37.50
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOCC3(CCC3)C2)=C1	REAL300020288267	0	48	-1.0	-45.79	368.85	7.39	-38.40
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOCC3(CCC3)C2)=C1	REAL300020288267	1	48	-1.0	-45.74	368.80	7.37	-38.37
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288268	0	52	0.0	-66.99	396.98	9.62	-57.37
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288268	1	52	0.0	-62.16	407.53	9.27	-52.89
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288268	1	52	0.0	-66.96	396.94	9.60	-57.36
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288268	1	52	0.0	-62.13	407.47	9.25	-52.88
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CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288276	0	47	-1.0	-54.37	382.50	4.77	-49.60
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288276	1	47	-1.0	-54.38	382.56	4.79	-49.59
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288277	0	44	-1.0	-58.88	359.79	3.95	-54.93
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288277	1	44	-1.0	-58.82	359.73	3.93	-54.89
COC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288278	0	44	-1.0	-42.12	372.83	5.83	-36.29
COC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288278	1	44	-1.0	-42.09	372.88	5.84	-36.25
COC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288279	0	41	-1.0	-43.84	353.80	5.15	-38.69
COC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288279	1	41	-1.0	-43.77	353.74	5.13	-38.64
CC1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288280	0	46	-1.0	-42.50	372.35	7.81	-34.69
CC1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288280	1	46	-1.0	-42.52	372.41	7.82	-34.70
CC1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288281	0	43	-1.0	-44.65	349.84	6.96	-37.69
CC1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288281	1	43	-1.0	-44.68	349.79	6.94	-37.74
CCC1CC(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288282	0	49	-1.0	-41.61	376.37	7.69	-33.92
CCC1CC(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288282	1	49	-1.0	-41.64	376.45	7.70	-33.94
CCC1CC(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288283	0	46	-1.0	-45.53	351.99	7.34	-38.19
CCC1CC(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288283	1	46	-1.0	-45.54	351.94	7.33	-38.21
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288284	0	44	-1.0	-40.40	351.52	5.58	-34.82
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288284	1	44	-1.0	-40.35	351.57	5.59	-34.76
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288285	0	41	-1.0	-42.21	355.22	5.82	-36.39
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288285	1	41	-1.0	-42.21	355.17	5.78	-36.43
CC(C)CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288286	0	52	-1.0	-44.61	393.24	9.98	-34.63
CC(C)CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288286	1	52	-1.0	-44.58	393.18	9.96	-34.62
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288287	0	52	-1.0	-43.26	402.92	8.45	-34.81
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288287	1	52	-1.0	-43.26	402.86	8.42	-34.84
COC1=CC=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)=C1	REAL300020288288	0	44	-1.0	-47.92	384.29	9.81	-38.11
COC1=CC=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)=C1	REAL300020288288	1	44	-1.0	-47.91	384.23	9.79	-38.12
COC1=CC=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)=C1	REAL300020288289	0	41	-1.0	-51.04	362.79	9.04	-42.00
COC1=CC=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)=C1	REAL300020288289	1	41	-1.0	-51.03	362.73	9.01	-42.02
CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)=N1	REAL300020288290	0	40	-1.0	-44.13	356.85	9.28	-34.85
CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)=N1	REAL300020288290	1	40	-1.0	-44.10	356.79	9.27	-34.83
CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)=N1	REAL300020288291	0	37	-1.0	-47.00	336.53	8.57	-38.43
CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)=N1	REAL300020288291	1	37	-1.0	-46.95	336.49	8.54	-38.41
CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C=N1	REAL300020288292	0	40	-1.0	-49.71	358.21	8.35	-41.36
CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C=N1	REAL300020288292	1	40	-1.0	-49.71	358.16	8.34	-41.37
CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C=N1	REAL300020288293	0	37	-1.0	-50.30	336.70	7.58	-42.72
CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C=N1	REAL300020288293	1	37	-1.0	-50.28	336.64	7.55	-42.73
CC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288294	0	49	-1.0	-41.94	385.77	7.83	-34.11
CC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288294	1	49	-1.0	-41.95	385.83	7.84	-34.11
CC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288295	0	46	-1.0	-45.76	376.09	7.71	-38.05
CC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288295	1	46	-1.0	-45.67	376.03	7.69	-37.98
CON1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288296	0	49	-1.0	-41.38	389.49	5.87	-35.51
CON1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288296	1	49	-1.0	-41.37	389.47	5.86	-35.51
CCC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)=C1	REAL300020288297	0	49	-1.0	-43.47	417.54	11.70	-31.77
CCC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)=C1	REAL300020288297	1	49	-1.0	-43.42	417.59	11.72	-31.70
CCC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)=C1	REAL300020288298	0	46	-1.0	-44.24	396.29	10.95	-33.29
CCC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)=C1	REAL300020288298	1	46	-1.0	-44.24	396.24	10.92	-33.32
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CCCC[C@@H]3C2)=C1	REAL300020288299	0	50	-1.0	-41.57	402.54	9.90	-31.67
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CCCC[C@@H]3C2)=C1	REAL300020288299	1	50	-1.0	-41.57	402.60	9.91	-31.66
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CCCC[C@@H]3C2)=C1	REAL300020288300	0	47	-1.0	-43.24	381.04	9.13	-34.11
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CCCC[C@@H]3C2)=C1	REAL300020288300	1	47	-1.0	-43.27	380.98	9.11	-34.16
COC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288301	0	47	-1.0	-42.03	382.24	6.66	-35.37
COC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288301	1	47	-1.0	-42.04	382.29	6.68	-35.36
COC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288302	0	44	-1.0	-47.84	363.69	6.16	-41.68
COC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288302	1	44	-1.0	-47.84	363.63	6.14	-41.70
FC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288303	0	44	-1.0	-43.58	390.86	9.53	-34.05
FC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288303	1	44	-1.0	-43.60	390.92	9.54	-34.06
FC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288304	0	41	-1.0	-44.53	364.59	8.84	-35.69
FC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288304	1	41	-1.0	-44.51	364.52	8.83	-35.68
FC1(F)C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=CC=CS3)CC21	REAL300020288305	0	44	-1.0	-42.31	373.49	8.94	-33.37
FC1(F)C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=CC=CS3)CC21	REAL300020288305	1	44	-1.0	-42.31	373.55	8.96	-33.35
FC1(F)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)CC21	REAL300020288306	0	41	-1.0	-45.21	350.19	9.08	-36.13
FC1(F)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)CC21	REAL300020288306	1	41	-1.0	-45.20	350.15	9.06	-36.14
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C1CC(C)(C)C1	REAL300020288307	0	49	-1.0	-42.82	405.61	9.61	-33.21
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C1CC(C)(C)C1	REAL300020288307	1	49	-1.0	-42.79	405.67	9.62	-33.17
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1CC(C)(C)C1	REAL300020288308	0	46	-1.0	-44.02	383.01	8.79	-35.23
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CC(C)(C)C1	REAL300020288308	1	46	-1.0	-44.04	382.95	8.76	-35.28
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]3COC[C@@H]32)=C1	REAL300020288309	0	48	-1.0	-41.42	391.88	7.79	-33.63
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]3COC[C@@H]32)=C1	REAL300020288309	1	48	-1.0	-41.46	391.95	7.81	-33.65
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]3COC[C@@H]32)=C1	REAL300020288310	0	45	-1.0	-44.60	370.27	6.48	-38.12
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]3COC[C@@H]32)=C1	REAL300020288310	1	45	-1.0	-44.64	370.21	6.46	-38.18
CC1C(CO)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288311	0	50	-1.0	-41.69	402.09	5.89	-35.80
CC1C(CO)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288311	1	50	-1.0	-41.69	402.15	5.90	-35.79
CC1C(CO)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288312	0	47	-1.0	-43.58	375.62	5.27	-38.31
CC1C(CO)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288312	1	47	-1.0	-43.59	375.56	5.25	-38.34
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C1CC(C)(C)C1	REAL300020288313	0	52	-1.0	-40.49	407.92	9.75	-30.74
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C1CC(C)(C)C1	REAL300020288313	1	52	-1.0	-40.48	407.98	9.77	-30.71
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1CC(C)(C)C1	REAL300020288314	0	49	-1.0	-43.88	383.02	9.36	-34.52
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CC(C)(C)C1	REAL300020288314	1	49	-1.0	-43.89	382.96	9.35	-34.54
CC(C1CC1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288315	0	46	-1.0	-41.28	374.47	8.96	-32.32
CC(C1CC1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288315	1	46	-1.0	-41.30	374.52	8.98	-32.32
CC(C1CC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288316	0	43	-1.0	-41.99	359.44	8.16	-33.83
CC(C1CC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288316	1	43	-1.0	-41.94	359.39	8.13	-33.81
FCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288317	0	44	-1.0	-40.91	383.19	6.73	-34.18
FCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288317	1	44	-1.0	-40.92	383.25	6.74	-34.18
FCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288318	0	41	-1.0	-41.73	361.64	6.15	-35.58
FCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288318	1	41	-1.0	-41.71	361.58	6.12	-35.59
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C3CCC3)C2)=C1	REAL300020288319	0	50	-1.0	-42.47	407.06	10.20	-32.27
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C3CCC3)C2)=C1	REAL300020288319	1	50	-1.0	-42.51	407.12	10.22	-32.29
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3CCC3)C2)=C1	REAL300020288320	0	47	-1.0	-43.96	389.36	9.37	-34.59
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3CCC3)C2)=C1	REAL300020288320	1	47	-1.0	-43.98	389.30	9.36	-34.62
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C=C1C	REAL300020288321	0	49	-1.0	-44.21	407.89	10.62	-33.59
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C=C1C	REAL300020288321	1	49	-1.0	-44.19	407.82	10.60	-33.59
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)=N1	REAL300020288322	0	48	-1.0	-43.51	409.63	8.67	-34.84
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)=N1	REAL300020288322	1	48	-1.0	-43.48	409.69	8.69	-34.79
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)=N1	REAL300020288323	0	45	-1.0	-43.85	376.46	8.00	-35.85
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)=N1	REAL300020288323	1	45	-1.0	-43.84	376.41	7.99	-35.85
CC(C)(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288324	0	52	-1.0	-44.97	407.06	9.40	-35.57
CC(C)(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288324	1	52	-1.0	-44.95	407.01	9.38	-35.57
COCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288325	0	49	-1.0	-43.25	418.61	7.61	-35.64
COCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288325	1	49	-1.0	-43.26	418.66	7.62	-35.64
COCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288326	0	46	-1.0	-43.95	397.17	6.84	-37.11
COCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288326	1	46	-1.0	-43.93	397.11	6.81	-37.12
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C(C)C1C	REAL300020288327	0	49	-1.0	-41.68	389.40	8.55	-33.13
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C(C)C1C	REAL300020288327	1	49	-1.0	-41.64	389.45	8.57	-33.07
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C(C)C1C	REAL300020288328	0	46	-1.0	-44.44	377.44	8.43	-36.01
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C(C)C1C	REAL300020288328	1	46	-1.0	-44.40	377.39	8.39	-36.01
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC(CC)O1	REAL300020288329	0	50	-1.0	-42.27	417.54	8.42	-33.85
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC(CC)O1	REAL300020288329	1	50	-1.0	-42.24	417.48	8.39	-33.85
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C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)[C@H](C)C1	REAL300020288338	1	49	-1.0	-40.85	370.36	7.45	-33.40
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)[C@H](C)C1	REAL300020288339	0	46	-1.0	-43.98	380.31	7.95	-36.03
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CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288346	1	50	-1.0	-42.93	408.13	7.99	-34.94
CC(C)O[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288347	0	47	-1.0	-42.98	396.62	7.62	-35.36
CC(C)O[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288347	1	47	-1.0	-42.98	396.57	7.60	-35.38
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CC(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288349	1	43	-1.0	-45.84	381.25	4.52	-41.32
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C[C@H]1C	REAL300020288350	0	46	-1.0	-46.40	374.92	6.94	-39.46
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C[C@H]1C	REAL300020288350	1	46	-1.0	-46.39	374.87	6.92	-39.47
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)CC2=C1	REAL300020288351	0	45	-1.0	-43.71	386.61	8.05	-35.66
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)CC2=C1	REAL300020288351	1	45	-1.0	-43.73	386.55	8.03	-35.70
N#CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)CC2=C1	REAL300020288352	0	42	-1.0	-43.83	377.97	9.14	-34.69
N#CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)CC2=C1	REAL300020288352	1	42	-1.0	-43.86	377.91	9.12	-34.74
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288353	0	45	-1.0	-44.20	381.48	9.34	-34.86
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288353	1	45	-1.0	-44.18	381.54	9.35	-34.83
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C#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288354	1	42	-1.0	-42.61	369.41	8.53	-34.08
CC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)=N1	REAL300020288355	0	44	-1.0	-41.19	388.20	5.69	-35.50
CC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)=N1	REAL300020288355	1	44	-1.0	-41.20	388.25	5.71	-35.49
CC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)=N1	REAL300020288356	0	41	-1.0	-42.20	358.17	4.50	-37.70
CC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)=N1	REAL300020288356	1	41	-1.0	-42.12	358.11	4.47	-37.65
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2CC2CCCC2)=C1	REAL300020288357	0	53	-1.0	-44.35	425.22	10.62	-33.73
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2CC2CCCC2)=C1	REAL300020288357	1	53	-1.0	-44.36	425.16	10.61	-33.75
COC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288358	0	48	-1.0	-48.15	399.31	4.21	-43.94
COC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288358	1	48	-1.0	-48.18	399.25	4.19	-43.99
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288359	0	52	0.0	-63.13	412.11	9.67	-53.46
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288359	1	52	0.0	-63.19	411.82	9.67	-53.52
FC1(F)CC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288360	0	44	-1.0	-42.31	390.07	8.86	-33.45
FC1(F)CC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288360	1	44	-1.0	-42.29	390.12	8.88	-33.41
FC1(F)CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288361	0	41	-1.0	-46.41	365.55	8.26	-38.15
FC1(F)CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288361	1	41	-1.0	-46.40	365.49	8.24	-38.16
N#CC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288362	0	42	-1.0	-47.82	382.93	8.87	-38.95
N#CC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288362	1	42	-1.0	-47.80	382.88	8.85	-38.95
FC1(F)C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=CC=CS3)CC21	REAL300020288363	0	41	-1.0	-44.63	361.39	8.32	-36.31
FC1(F)C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=CC=CS3)CC21	REAL300020288363	1	41	-1.0	-44.63	361.44	8.34	-36.29
FC1(F)C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)CC21	REAL300020288364	0	38	-1.0	-45.67	339.94	7.56	-38.11
FC1(F)C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)CC21	REAL300020288364	1	38	-1.0	-45.66	339.88	7.54	-38.12
FC1(F)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288365	0	43	-1.0	-41.33	376.64	8.63	-32.70
FC1(F)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288365	1	43	-1.0	-41.37	376.70	8.65	-32.72
FC1(F)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288366	0	40	-1.0	-41.74	349.06	8.01	-33.73
FC1(F)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288366	1	40	-1.0	-41.70	348.97	8.00	-33.70
FC1(F)CC12CCCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288367	0	44	-1.0	-43.05	382.78	9.10	-33.95
FC1(F)CC12CCCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288367	1	44	-1.0	-43.06	382.69	9.09	-33.97
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC2(CCC2)O1	REAL300020288368	0	48	-1.0	-41.83	401.54	7.71	-34.12
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC2(CCC2)O1	REAL300020288368	1	48	-1.0	-41.81	401.49	7.68	-34.13
CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288369	0	50	-1.0	-40.70	420.14	8.28	-32.42
CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288369	1	50	-1.0	-40.69	420.20	8.29	-32.40
CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288370	0	47	-1.0	-42.20	392.28	7.62	-34.58
CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288370	1	47	-1.0	-42.20	392.22	7.59	-34.61
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCCOC1	REAL300020288371	0	50	-1.0	-45.12	401.18	6.84	-38.28
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCCOC1	REAL300020288371	1	50	-1.0	-45.16	401.23	6.86	-38.30
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCCOC1	REAL300020288372	0	47	-1.0	-43.81	375.24	7.05	-36.76
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCCOC1	REAL300020288372	1	47	-1.0	-43.80	375.19	7.02	-36.78
CC(C)OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288373	0	50	-1.0	-45.26	401.86	8.41	-36.85
CC(C)OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288373	1	50	-1.0	-45.22	401.80	8.40	-36.82
CCN(CCSC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288374	0	46	-1.0	-42.92	395.83	8.19	-34.73
CCN(CCSC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288374	1	46	-1.0	-42.93	395.89	8.20	-34.73
CCN(CCSC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288375	0	43	-1.0	-43.20	375.16	7.44	-35.76
CCN(CCSC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288375	1	43	-1.0	-43.24	375.09	7.43	-35.81
FC1(F)CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)CC2	REAL300020288376	0	44	-1.0	-43.36	381.32	9.29	-34.07
FC1(F)CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)CC2	REAL300020288376	1	44	-1.0	-43.35	381.26	9.28	-34.07
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1=O	REAL300020288377	0	44	-1.0	-43.09	376.79	6.25	-36.84
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1=O	REAL300020288377	1	44	-1.0	-43.10	376.85	6.26	-36.84
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1=O	REAL300020288378	0	41	-1.0	-43.78	347.49	5.82	-37.96
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1=O	REAL300020288378	1	41	-1.0	-43.75	347.44	5.80	-37.95
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCC3C2)=C1	REAL300020288379	0	44	-1.0	-42.72	367.47	8.67	-34.05
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCC3C2)=C1	REAL300020288379	1	44	-1.0	-42.66	367.53	8.69	-33.97
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCC3C2)=C1	REAL300020288380	0	41	-1.0	-44.91	342.24	7.89	-37.02
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCC3C2)=C1	REAL300020288380	1	41	-1.0	-44.88	342.18	7.86	-37.02
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CC12COCC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288417	1	48	-1.0	-42.86	392.07	7.01	-35.85
CC12COCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288418	0	45	-1.0	-46.46	367.97	6.50	-39.96
CC12COCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288418	1	45	-1.0	-46.40	367.89	6.49	-39.91
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C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CC3)CC2)=C1	REAL300020288484	1	47	-1.0	-43.69	362.38	8.78	-34.91
CC=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288485	0	53	-1.0	-40.78	414.39	9.92	-30.86
CC=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288485	1	53	-1.0	-40.76	414.45	9.94	-30.82
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288486	0	50	-1.0	-42.36	417.30	10.15	-32.21
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288486	1	50	-1.0	-42.34	417.24	10.12	-32.22
COCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288487	0	48	-1.0	-42.83	391.94	6.11	-36.72
COCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288487	1	48	-1.0	-42.79	391.83	6.10	-36.69
NC(=O)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288488	0	45	-1.0	-45.98	391.61	3.67	-42.31
NC(=O)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288488	1	45	-1.0	-46.01	391.55	3.65	-42.36
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C2=CC=CC=C21	REAL300020288489	0	47	-1.0	-44.46	403.71	12.26	-32.20
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C2=CC=CC=C21	REAL300020288489	1	47	-1.0	-44.44	403.65	12.23	-32.21
CC1CC(F)(F)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288490	0	46	-1.0	-40.44	372.20	7.23	-33.21
CC1CC(F)(F)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288490	1	46	-1.0	-40.39	372.26	7.24	-33.15
CC1CC(F)(F)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288491	0	43	-1.0	-42.45	348.39	6.38	-36.07
CC1CC(F)(F)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288491	1	43	-1.0	-42.49	348.32	6.35	-36.14
OC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288492	0	45	-1.0	-43.50	387.11	6.95	-36.55
OC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288492	1	45	-1.0	-43.50	387.05	6.92	-36.58
CCON1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288493	0	49	-1.0	-40.81	411.69	7.15	-33.66
CCON1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288493	1	49	-1.0	-40.82	411.74	7.17	-33.65
CCON1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288494	0	46	-1.0	-42.71	383.36	6.62	-36.09
CCON1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288494	1	46	-1.0	-42.67	383.30	6.60	-36.07
FCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288495	0	49	-1.0	-42.46	411.46	9.71	-32.75
FCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288495	1	49	-1.0	-42.50	411.52	9.72	-32.78
FCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288496	0	46	-1.0	-44.21	383.59	9.05	-35.16
FCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288496	1	46	-1.0	-44.21	383.53	9.02	-35.19
CCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288497	0	48	-1.0	-42.22	410.53	6.22	-36.00
CCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288497	1	48	-1.0	-42.20	410.48	6.20	-36.00
CSC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288498	0	47	-1.0	-39.47	402.42	9.36	-30.11
CSC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288498	1	47	-1.0	-39.47	402.47	9.37	-30.10
CSC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288499	0	44	-1.0	-40.92	384.09	8.69	-32.23
CSC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288499	1	44	-1.0	-40.87	384.03	8.67	-32.20
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020288500	0	47	-1.0	-44.42	395.62	4.89	-39.53
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020288500	1	47	-1.0	-44.42	395.68	4.91	-39.51
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020288501	0	44	-1.0	-45.80	367.06	4.41	-41.39
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020288501	1	44	-1.0	-45.77	367.00	4.40	-41.37
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288502	0	47	-1.0	-50.72	394.56	6.74	-43.98
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288502	1	47	-1.0	-50.71	394.52	6.72	-43.99
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCCC1C#N	REAL300020288503	0	47	-1.0	-45.42	396.48	8.69	-36.73
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCCC1C#N	REAL300020288503	1	47	-1.0	-45.39	396.54	8.70	-36.69
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCCC1C#N	REAL300020288504	0	44	-1.0	-43.85	366.92	8.09	-35.76
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCCC1C#N	REAL300020288504	1	44	-1.0	-43.83	366.86	8.07	-35.76
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C=C1	REAL300020288505	0	47	-1.0	-43.96	401.31	8.75	-35.21
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C=C1	REAL300020288505	1	47	-1.0	-43.97	401.23	8.73	-35.24
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCC(C2)O3)=C1	REAL300020288506	0	45	-1.0	-41.77	371.91	7.44	-34.33
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCC(C2)O3)=C1	REAL300020288506	1	45	-1.0	-41.76	371.97	7.45	-34.31
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCC(C2)O3)=C1	REAL300020288507	0	42	-1.0	-43.13	353.31	6.78	-36.35
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCC(C2)O3)=C1	REAL300020288507	1	42	-1.0	-43.15	353.25	6.75	-36.40
FCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288508	0	47	-1.0	-41.59	403.97	7.56	-34.03
FCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288508	1	47	-1.0	-41.59	404.03	7.57	-34.02
FCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288509	0	44	-1.0	-42.85	382.38	6.76	-36.09
FCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288509	1	44	-1.0	-42.86	382.32	6.73	-36.13
COC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288510	0	50	-1.0	-40.77	410.42	7.35	-33.42
COC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288510	1	50	-1.0	-40.74	410.49	7.36	-33.38
COC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288511	0	47	-1.0	-44.01	392.71	6.44	-37.57
COC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288511	1	47	-1.0	-44.01	392.65	6.41	-37.60
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCS1(=O)=O	REAL300020288512	0	43	-1.0	-46.04	382.80	4.37	-41.67
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCS1(=O)=O	REAL300020288512	1	43	-1.0	-46.06	382.74	4.34	-41.72
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCN1C1CC1	REAL300020288513	0	47	-1.0	-44.52	398.48	6.67	-37.85
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCN1C1CC1	REAL300020288513	1	47	-1.0	-44.56	398.41	6.66	-37.90
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288514	0	45	-1.0	-45.61	388.18	8.08	-37.53
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288514	1	45	-1.0	-45.63	388.13	8.06	-37.57
CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C=N1	REAL300020288515	0	40	-1.0	-49.71	358.21	8.35	-41.36
CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C=N1	REAL300020288515	1	40	-1.0	-49.71	358.16	8.34	-41.37
CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C=N1	REAL300020288516	0	37	-1.0	-50.30	336.70	7.58	-42.72
CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C=N1	REAL300020288516	1	37	-1.0	-50.28	336.64	7.55	-42.73
FC(F)(F)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288517	0	43	-1.0	-44.99	370.49	8.79	-36.20
FC(F)(F)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288517	1	43	-1.0	-44.94	370.54	8.81	-36.13
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CC=CC[C@@H]3C2)=C1	REAL300020288518	0	48	-1.0	-42.12	385.13	9.33	-32.79
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CC=CC[C@@H]3C2)=C1	REAL300020288518	1	48	-1.0	-42.06	385.19	9.34	-32.72
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CC=CC[C@@H]3C2)=C1	REAL300020288519	0	45	-1.0	-45.82	365.78	8.62	-37.20
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CC=CC[C@@H]3C2)=C1	REAL300020288519	1	45	-1.0	-45.80	365.72	8.59	-37.21
CN1C(=O)[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)C[C@H]2C1=O	REAL300020288520	0	44	-1.0	-48.61	380.24	5.74	-42.87
CN1C(=O)[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)C[C@H]2C1=O	REAL300020288520	1	44	-1.0	-48.58	380.18	5.71	-42.87
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CSCC3C2)=C1	REAL300020288521	0	45	-1.0	-43.99	359.52	8.27	-35.72
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CSCC3C2)=C1	REAL300020288521	1	45	-1.0	-43.96	359.24	8.27	-35.69
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=CC=CS3)CCC21	REAL300020288522	0	53	0.0	-72.90	417.15	9.64	-63.26
C[N@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=CC=CS3)CCC21	REAL300020288522	1	53	0.0	-72.09	398.79	8.48	-63.61
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=CC=CS3)CCC21	REAL300020288522	1	53	0.0	-72.91	417.21	9.65	-63.26
C[N@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=CC=CS3)CCC21	REAL300020288522	1	53	0.0	-72.06	398.84	8.49	-63.57
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)CCC21	REAL300020288523	0	50	0.0	-66.52	400.65	8.64	-57.88
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)CCC21	REAL300020288523	1	50	0.0	-74.62	373.67	8.01	-66.61
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)CCC21	REAL300020288523	1	50	0.0	-66.55	400.59	8.61	-57.94
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)CCC21	REAL300020288523	1	50	0.0	-74.78	373.59	7.98	-66.80
N#CCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288524	0	49	-1.0	-46.47	414.72	7.12	-39.35
N#CCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288524	1	49	-1.0	-46.53	414.78	7.14	-39.39
N#CCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288525	0	46	-1.0	-46.05	397.04	6.05	-40.00
N#CCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288525	1	46	-1.0	-46.06	396.98	6.02	-40.04
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC[N@@H+]1C	REAL300020288526	0	52	0.0	-62.70	410.32	8.87	-53.83
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC[N@H+]1C	REAL300020288526	1	52	0.0	-69.27	397.85	9.00	-60.27
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC[N@@H+]1C	REAL300020288526	1	52	0.0	-62.72	410.26	8.85	-53.87
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC[N@H+]1C	REAL300020288526	1	52	0.0	-69.28	397.78	8.98	-60.30
FC(F)COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288527	0	44	-1.0	-49.75	395.43	6.57	-43.18
FC(F)COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288527	1	44	-1.0	-49.74	395.49	6.59	-43.15
FC(F)COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288528	0	41	-1.0	-46.40	374.10	5.80	-40.60
FC(F)COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288528	1	41	-1.0	-46.38	374.15	5.83	-40.55
FCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)=N1	REAL300020288529	0	43	-1.0	-43.14	384.97	10.27	-32.87
FCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)=N1	REAL300020288529	1	43	-1.0	-43.11	384.91	10.26	-32.85
FCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)=N1	REAL300020288530	0	40	-1.0	-44.87	363.46	9.50	-35.37
FCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)=N1	REAL300020288530	1	40	-1.0	-44.84	363.41	9.47	-35.37
CC1CC(CO)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288531	0	50	-1.0	-41.88	395.59	5.98	-35.90
CC1CC(CO)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288531	1	50	-1.0	-41.87	395.65	6.00	-35.87
CC1CC(CO)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288532	0	47	-1.0	-43.67	378.45	5.41	-38.26
CC1CC(CO)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288532	1	47	-1.0	-43.67	378.38	5.39	-38.28
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C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3COC[C@@H]3C2)=C1	REAL300020288561	0	42	-1.0	-44.23	353.76	5.89	-38.34
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3COC[C@@H]3C2)=C1	REAL300020288561	1	42	-1.0	-44.22	353.70	5.87	-38.35
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CC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288563	0	43	-1.0	-44.26	368.82	8.34	-35.92
CC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288563	1	43	-1.0	-44.27	368.86	8.36	-35.91
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC2=CC=CC=C21	REAL300020288564	0	47	-1.0	-45.02	390.47	9.75	-35.27
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC2=CC=CC=C21	REAL300020288564	1	47	-1.0	-45.02	390.42	9.73	-35.29
FC(F)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288565	0	44	-1.0	-40.42	363.07	5.81	-34.61
FC(F)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288565	1	44	-1.0	-40.43	363.13	5.82	-34.61
FC(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288566	0	41	-1.0	-45.94	366.57	6.23	-39.71
FC(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288566	1	41	-1.0	-45.94	366.52	6.21	-39.73
CC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288567	0	48	-1.0	-43.06	404.72	8.79	-34.27
CC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288567	1	48	-1.0	-42.98	404.77	8.80	-34.18
CC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288568	0	45	-1.0	-43.85	386.39	8.12	-35.73
CC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288568	1	45	-1.0	-43.83	386.34	8.09	-35.74
CC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288569	0	48	-1.0	-47.34	408.33	8.89	-38.45
CC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288569	1	48	-1.0	-47.32	408.39	8.91	-38.41
CC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288570	0	45	-1.0	-51.07	375.98	8.34	-42.73
CC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288570	1	45	-1.0	-51.10	375.94	8.32	-42.78
CC(C)(O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288571	0	50	-1.0	-43.05	394.72	6.52	-36.53
CC(C)(O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288571	1	50	-1.0	-43.00	394.66	6.50	-36.50
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C(C)(C)C	REAL300020288572	0	54	-1.0	-42.02	411.83	11.53	-30.49
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C(C)(C)C	REAL300020288572	1	54	-1.0	-42.04	411.89	11.55	-30.49
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C(C)(C)C	REAL300020288573	0	51	-1.0	-42.56	390.11	10.78	-31.78
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C(C)(C)C	REAL300020288573	1	51	-1.0	-42.58	390.06	10.76	-31.82
OCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288574	0	48	-1.0	-42.60	405.26	4.24	-38.36
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C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN3C=CC=C3C2)=C1	REAL300020288578	0	42	-1.0	-43.33	359.52	8.31	-35.02
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N#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288579	0	44	-1.0	-44.12	384.59	8.70	-35.42
N#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288579	1	44	-1.0	-44.18	384.64	8.71	-35.47
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C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3CCCO3)C2)=C1	REAL300020288581	0	48	-1.0	-45.49	387.46	7.50	-37.99
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3CCCO3)C2)=C1	REAL300020288581	1	48	-1.0	-45.48	387.41	7.48	-38.00
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288582	0	45	-1.0	-42.94	394.32	4.48	-38.46
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288582	1	45	-1.0	-42.92	394.26	4.45	-38.47
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3CCO[C@H]3C2)=C1	REAL300020288583	0	45	-1.0	-46.00	376.63	6.84	-39.16
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3CCO[C@H]3C2)=C1	REAL300020288583	1	45	-1.0	-45.98	376.69	6.86	-39.12
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3CCO[C@H]3C2)=C1	REAL300020288584	0	42	-1.0	-46.14	358.36	6.03	-40.11
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3CCO[C@H]3C2)=C1	REAL300020288584	1	42	-1.0	-46.11	358.30	6.01	-40.10
FC[C@]12CC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288585	0	47	-1.0	-44.02	387.37	9.24	-34.78
FC[C@]12CC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288585	1	47	-1.0	-44.01	387.43	9.25	-34.76
FC[C@]12CC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288586	0	44	-1.0	-46.72	368.23	9.02	-37.70
FC[C@]12CC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288586	1	44	-1.0	-46.72	368.18	8.99	-37.73
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300020288587	0	45	-1.0	-41.65	378.56	8.68	-32.97
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300020288587	1	45	-1.0	-41.52	378.62	8.69	-32.83
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300020288588	0	42	-1.0	-43.80	363.99	8.12	-35.68
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CSC[C@@H]3C2)=C1	REAL300020288588	1	42	-1.0	-43.83	363.92	8.10	-35.73
CC1=NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)C2)=NO1	REAL300020288589	0	45	-1.0	-48.46	391.57	5.64	-42.82
CC1=NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)C2)=NO1	REAL300020288589	1	45	-1.0	-48.42	391.51	5.61	-42.81
FC(F)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCC1	REAL300020288590	0	46	-1.0	-46.80	372.47	7.63	-39.17
FC(F)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCC1	REAL300020288590	1	46	-1.0	-46.81	372.53	7.64	-39.17
FC(F)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1CCC1	REAL300020288591	0	43	-1.0	-47.84	368.38	7.84	-40.00
FC(F)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CCC1	REAL300020288591	1	43	-1.0	-47.86	368.32	7.82	-40.04
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCN3N=NC=C3C2)=C1	REAL300020288592	0	46	-1.0	-43.62	392.30	6.99	-36.63
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCN3N=NC=C3C2)=C1	REAL300020288592	1	46	-1.0	-43.62	392.36	7.01	-36.61
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCN3N=NC=C3C2)=C1	REAL300020288593	0	43	-1.0	-46.89	363.68	6.40	-40.49
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCN3N=NC=C3C2)=C1	REAL300020288593	1	43	-1.0	-46.81	363.63	6.37	-40.44
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288594	0	52	-1.0	-41.07	408.27	9.65	-31.42
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288594	1	52	-1.0	-41.06	408.33	9.66	-31.40
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288595	0	49	-1.0	-42.42	392.49	8.89	-33.53
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288595	1	49	-1.0	-42.39	392.44	8.87	-33.52
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288596	0	48	-1.0	-44.25	402.76	6.21	-38.04
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288596	1	48	-1.0	-44.30	402.70	6.19	-38.11
CN(CCCF)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288597	0	42	-1.0	-41.55	370.02	7.89	-33.66
CN(CCCF)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288597	1	42	-1.0	-41.55	370.08	7.91	-33.64
CN(CCCF)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288598	0	39	-1.0	-42.29	348.60	7.12	-35.17
CN(CCCF)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288598	1	39	-1.0	-42.29	348.54	7.10	-35.19
CN(CCCF)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=CC=CS1	REAL300020288599	0	46	-1.0	-42.77	389.89	9.84	-32.93
CN(CCCF)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=CC=CS1	REAL300020288599	1	46	-1.0	-42.75	389.91	9.83	-32.92
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2NC2=CN(C3CCCC3)N=C2)=C1	REAL300020288600	0	47	-1.0	-48.88	399.60	10.23	-38.65
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2NC2=CN(C3CCCC3)N=C2)=C1	REAL300020288600	1	47	-1.0	-48.90	399.54	10.21	-38.69
FC(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC12CC2	REAL300020288601	0	44	-1.0	-45.58	376.20	8.66	-36.92
FC(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC12CC2	REAL300020288601	1	44	-1.0	-45.54	376.14	8.63	-36.91
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288602	0	46	-1.0	-45.58	398.00	7.30	-38.28
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288602	1	46	-1.0	-45.64	398.06	7.32	-38.32
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288603	0	43	-1.0	-50.13	370.10	5.73	-44.40
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288603	1	43	-1.0	-50.16	370.05	5.71	-44.45
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2NC2=CN(C3CCC3)N=C2)=C1	REAL300020288604	0	47	-1.0	-45.49	403.63	10.31	-35.18
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2NC2=CN(C3CCC3)N=C2)=C1	REAL300020288604	1	47	-1.0	-45.55	403.57	10.30	-35.25
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2NC2=CN(C3CCC3)N=C2)=C1	REAL300020288605	0	44	-1.0	-49.57	382.07	9.56	-40.01
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2NC2=CN(C3CCC3)N=C2)=C1	REAL300020288605	1	44	-1.0	-49.54	382.01	9.54	-40.00
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3CCC(C3)C2)=C1	REAL300020288606	0	50	-1.0	-40.87	380.72	10.58	-30.29
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3CCC(C3)C2)=C1	REAL300020288606	1	50	-1.0	-40.93	380.78	10.60	-30.33
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CCC(C3)C2)=C1	REAL300020288607	0	47	-1.0	-41.85	358.55	10.56	-31.29
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CCC(C3)C2)=C1	REAL300020288607	1	47	-1.0	-41.86	358.49	10.54	-31.32
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288608	0	53	0.0	-69.46	416.05	9.09	-60.37
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288608	1	53	0.0	-65.89	419.33	9.15	-56.74
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288608	1	53	0.0	-69.41	416.11	9.11	-60.30
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288608	1	53	0.0	-65.88	419.39	9.17	-56.71
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288609	0	50	0.0	-63.55	397.75	8.43	-55.12
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288609	1	50	0.0	-72.66	399.36	9.14	-63.52
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288609	1	50	0.0	-63.56	397.70	8.41	-55.15
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)C[C@]2(C)C1	REAL300020288609	1	50	0.0	-72.70	399.31	9.11	-63.59
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288610	0	48	-1.0	-43.25	400.05	4.89	-38.36
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288610	1	48	-1.0	-43.27	400.00	4.87	-38.40
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288611	0	49	-1.0	-43.80	393.59	10.14	-33.66
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288611	1	49	-1.0	-43.77	393.62	10.14	-33.63
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288612	0	41	-1.0	-45.37	375.81	8.38	-36.99
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288612	1	41	-1.0	-45.33	375.75	8.35	-36.98
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CC[C@@H]3C2)=C1	REAL300020288613	0	44	-1.0	-40.72	360.45	8.64	-32.08
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CC[C@@H]3C2)=C1	REAL300020288613	1	44	-1.0	-40.68	360.50	8.66	-32.02
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CC[C@@H]3C2)=C1	REAL300020288614	0	41	-1.0	-44.84	342.37	7.90	-36.94
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CC[C@@H]3C2)=C1	REAL300020288614	1	41	-1.0	-44.84	342.31	7.88	-36.96
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020288615	0	49	-1.0	-44.73	386.04	9.67	-35.06
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020288615	1	49	-1.0	-44.76	385.98	9.64	-35.12
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020288616	0	51	-1.0	-44.45	391.20	9.79	-34.66
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020288616	1	51	-1.0	-44.41	391.14	9.78	-34.63
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2OCCO2)=C1	REAL300020288617	0	46	-1.0	-46.47	384.67	6.33	-40.14
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2OCCO2)=C1	REAL300020288617	1	46	-1.0	-46.47	384.62	6.30	-40.17
CN1N=NC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288618	0	46	-1.0	-50.20	389.03	6.21	-43.99
CN1N=NC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288618	1	46	-1.0	-50.18	389.09	6.23	-43.95
CN1N=NC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288619	0	43	-1.0	-46.67	365.96	6.37	-40.30
CN1N=NC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288619	1	43	-1.0	-46.70	365.93	6.36	-40.34
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288620	0	46	-1.0	-44.32	399.33	8.34	-35.98
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288620	1	46	-1.0	-44.36	399.27	8.32	-36.04
NC(=O)C12CCC(CC1)N2C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288621	0	48	-1.0	-50.42	396.03	4.65	-45.77
NC(=O)C12CCC(CC1)N2C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288621	1	48	-1.0	-50.42	396.09	4.66	-45.76
NC(=O)C12CCC(CC1)N2C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288622	0	45	-1.0	-50.14	375.77	4.52	-45.62
NC(=O)C12CCC(CC1)N2C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288622	1	45	-1.0	-50.14	375.72	4.49	-45.65
CSCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288623	0	47	-1.0	-42.60	406.74	9.22	-33.38
CSCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288623	1	47	-1.0	-42.58	406.68	9.20	-33.38
CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288624	0	47	-1.0	-40.63	372.48	6.32	-34.31
CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288624	1	47	-1.0	-40.66	372.54	6.32	-34.34
CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288625	0	44	-1.0	-45.64	355.96	5.75	-39.89
CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288625	1	44	-1.0	-45.64	355.90	5.72	-39.92
CCN(CCC(=O)NC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288626	0	49	-1.0	-51.30	411.52	5.32	-45.98
CCN(CCC(=O)NC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288626	1	49	-1.0	-51.34	411.58	5.34	-46.00
CCN(CCC(=O)NC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288627	0	46	-1.0	-51.58	389.71	4.52	-47.06
CCN(CCC(=O)NC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288627	1	46	-1.0	-51.56	389.64	4.49	-47.07
FC1(C2CC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288628	0	47	-1.0	-44.89	395.07	9.45	-35.44
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CC(CC(N)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288766	1	46	-1.0	-49.32	378.00	4.75	-44.57
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C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CC2C3)=C1	REAL300020288774	0	38	-1.0	-45.01	327.34	6.98	-38.03
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C1=CSC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N2CC3CC2C3)=C1	REAL300020288775	0	45	-1.0	-41.81	374.43	9.86	-31.95
C1=CSC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N2CC3CC2C3)=C1	REAL300020288775	1	45	-1.0	-41.85	374.47	9.85	-32.00
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COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1(C)C	REAL300020288776	1	50	-1.0	-42.85	414.56	7.90	-34.95
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1(C)C	REAL300020288777	0	47	-1.0	-44.77	389.74	7.05	-37.72
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1(C)C	REAL300020288777	1	47	-1.0	-44.75	389.69	7.03	-37.72
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)C[C@H]12	REAL300020288778	0	48	-1.0	-46.59	386.84	7.89	-38.70
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)C[C@H]12	REAL300020288778	1	48	-1.0	-46.66	386.55	7.86	-38.80
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)CC[C@H]12	REAL300020288779	0	48	-1.0	-42.94	406.61	7.93	-35.01
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)CC[C@H]12	REAL300020288779	1	48	-1.0	-42.93	406.56	7.91	-35.02
CC1=C(CNC2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)OC=C1	REAL300020288780	0	43	-1.0	-44.10	383.73	9.30	-34.80
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CC12CCCC1N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1=CC=CS1)CCC2	REAL300020288885	0	53	-1.0	-41.74	408.00	10.59	-31.15
CC12CCCC1N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1=CC=CS1)CCC2	REAL300020288885	1	53	-1.0	-41.77	408.06	10.60	-31.17
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CC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCC1(F)F	REAL300020288898	0	43	-1.0	-42.48	368.82	8.09	-34.39
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C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCC3)C2)=C1	REAL300020288901	0	47	-1.0	-42.68	383.60	9.36	-33.32
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCC3)C2)=C1	REAL300020288901	1	47	-1.0	-42.67	383.53	9.35	-33.32
CCC1COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288902	0	50	-1.0	-40.38	385.71	7.50	-32.88
CCC1COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288902	1	50	-1.0	-40.38	385.77	7.52	-32.86
CCC1COCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288903	0	47	-1.0	-41.66	387.09	7.80	-33.86
CCC1COCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288903	1	47	-1.0	-41.63	387.04	7.78	-33.85
CC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288904	0	47	-1.0	-40.14	388.61	7.43	-32.71
CC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288904	1	47	-1.0	-40.15	388.66	7.44	-32.71
CC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020288905	0	44	-1.0	-43.23	363.39	7.00	-36.23
CC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020288905	1	44	-1.0	-43.22	363.34	6.98	-36.24
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C[C@@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288908	0	44	-1.0	-39.55	354.05	6.50	-33.05
C[C@@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288908	1	44	-1.0	-39.59	354.11	6.51	-33.08
C[C@@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288909	0	41	-1.0	-41.90	331.08	6.19	-35.71
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C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCCCCC3C2)=C1	REAL300020288912	1	53	-1.0	-41.06	407.30	10.15	-30.91
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCCCCC3C2)=C1	REAL300020288913	0	50	-1.0	-42.82	388.09	9.47	-33.35
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCCCCC3C2)=C1	REAL300020288913	1	50	-1.0	-42.79	388.04	9.44	-33.35
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CC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288916	0	50	-1.0	-41.46	403.51	5.95	-35.51
CC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288916	1	50	-1.0	-41.45	403.57	5.96	-35.49
CC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288917	0	47	-1.0	-45.45	375.93	5.58	-39.87
CC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288917	1	47	-1.0	-45.44	375.86	5.56	-39.88
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288918	0	47	-1.0	-57.82	363.94	3.72	-54.10
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288918	1	47	-1.0	-57.79	363.83	3.72	-54.07
CN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288919	0	47	-1.0	-40.47	387.93	7.68	-32.79
CN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288919	1	47	-1.0	-40.50	387.99	7.69	-32.81
CN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288920	0	44	-1.0	-42.94	364.28	7.21	-35.73
CN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288920	1	44	-1.0	-42.85	364.18	7.20	-35.65
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288921	0	45	-1.0	-44.56	380.59	8.97	-35.59
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288921	1	45	-1.0	-44.61	380.65	8.98	-35.63
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288922	0	42	-1.0	-46.12	359.12	8.21	-37.91
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288922	1	42	-1.0	-46.09	359.06	8.18	-37.91
OC1(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)CCO2)CC1	REAL300020288923	0	46	-1.0	-46.92	392.18	4.24	-42.68
OC1(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)CCO2)CC1	REAL300020288923	1	46	-1.0	-46.91	392.11	4.23	-42.68
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288924	0	44	-1.0	-40.85	358.78	7.74	-33.11
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288924	1	44	-1.0	-40.89	358.84	7.75	-33.14
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288925	0	41	-1.0	-43.55	357.28	8.59	-34.96
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288925	1	41	-1.0	-43.56	357.21	8.58	-34.98
COC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288926	0	48	-1.0	-43.06	394.93	8.13	-34.93
COC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288926	1	48	-1.0	-43.03	394.99	8.14	-34.89
COC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288927	0	45	-1.0	-42.43	378.61	7.23	-35.20
COC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288927	1	45	-1.0	-42.41	378.55	7.20	-35.21
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCCCCCC3C2)=C1	REAL300020288928	0	53	-1.0	-45.04	405.20	9.98	-35.06
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCCCCCC3C2)=C1	REAL300020288928	1	53	-1.0	-45.02	405.14	9.96	-35.06
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288929	0	52	-1.0	-43.32	414.32	10.66	-32.66
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288929	1	52	-1.0	-43.32	414.27	10.65	-32.67
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(C2)OC[C@H]2C[C@H]23)=C1	REAL300020288930	0	49	-1.0	-44.18	402.90	8.46	-35.72
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(C2)OC[C@H]2C[C@H]23)=C1	REAL300020288930	1	49	-1.0	-44.24	402.84	8.43	-35.81
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(OCC3CC3)C2)=C1	REAL300020288931	0	48	-1.0	-46.08	387.30	7.32	-38.76
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(OCC3CC3)C2)=C1	REAL300020288931	1	48	-1.0	-46.10	387.25	7.29	-38.81
CCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288932	0	46	-1.0	-43.96	383.69	8.88	-35.08
CCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288932	1	46	-1.0	-43.96	383.74	8.89	-35.07
CCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288933	0	43	-1.0	-45.49	360.80	8.31	-37.18
CCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288933	1	43	-1.0	-45.45	360.73	8.29	-37.16
FC1(F)CC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=CC=CS3)CC21	REAL300020288934	0	44	-1.0	-44.00	376.38	8.84	-35.16
FC1(F)CC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=CC=CS3)CC21	REAL300020288934	1	44	-1.0	-44.00	376.44	8.85	-35.15
FC1(F)CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)CC21	REAL300020288935	0	41	-1.0	-45.96	355.29	8.09	-37.87
FC1(F)CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)CC21	REAL300020288935	1	41	-1.0	-45.93	355.23	8.08	-37.85
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(CCO3)C2)=C1	REAL300020288936	0	48	-1.0	-40.93	393.67	7.46	-33.47
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(CCO3)C2)=C1	REAL300020288936	1	48	-1.0	-40.96	393.73	7.47	-33.49
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCO3)C2)=C1	REAL300020288937	0	45	-1.0	-42.10	375.31	6.82	-35.28
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCO3)C2)=C1	REAL300020288937	1	45	-1.0	-42.14	375.23	6.81	-35.33
COC(=O)C12CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020288938	0	44	-1.0	-43.49	383.21	8.18	-35.31
COC(=O)C12CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020288938	1	44	-1.0	-43.46	383.15	8.16	-35.30
CCC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C=C1	REAL300020288939	0	49	-1.0	-42.92	399.04	12.62	-30.30
CCC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C=C1	REAL300020288939	1	49	-1.0	-42.84	399.10	12.63	-30.21
CCC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C=C1	REAL300020288940	0	46	-1.0	-45.04	377.33	11.87	-33.17
CCC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C=C1	REAL300020288940	1	46	-1.0	-45.05	377.28	11.86	-33.19
COC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)=C1	REAL300020288941	0	47	-1.0	-42.69	404.03	8.59	-34.10
COC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)=C1	REAL300020288941	1	47	-1.0	-42.68	403.96	8.57	-34.11
CC(F)(F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288942	0	46	-1.0	-41.93	391.60	8.99	-32.94
CC(F)(F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288942	1	46	-1.0	-41.93	391.54	8.97	-32.96
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1)C1CC2(CC2)C1	REAL300020288943	0	47	-1.0	-40.58	388.21	9.50	-31.08
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1)C1CC2(CC2)C1	REAL300020288943	1	47	-1.0	-40.61	388.26	9.52	-31.09
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)C1CC2(CC2)C1	REAL300020288944	0	44	-1.0	-44.10	362.39	9.10	-35.00
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)C1CC2(CC2)C1	REAL300020288944	1	44	-1.0	-44.10	362.34	9.09	-35.01
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC[C@H]1C	REAL300020288945	0	50	-1.0	-42.46	418.11	7.95	-34.51
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC[C@H]1C	REAL300020288945	1	50	-1.0	-42.50	418.17	7.96	-34.54
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC[C@H]1C	REAL300020288946	0	47	-1.0	-43.27	396.70	7.18	-36.09
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC[C@H]1C	REAL300020288946	1	47	-1.0	-43.27	396.64	7.16	-36.11
N#CC(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020288947	0	45	-1.0	-52.18	394.17	8.88	-43.30
N#CC(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020288947	1	45	-1.0	-52.15	394.11	8.86	-43.29
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3CCCC(C3)C2)=C1	REAL300020288948	0	53	-1.0	-39.96	389.55	11.87	-28.09
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3CCCC(C3)C2)=C1	REAL300020288948	1	53	-1.0	-40.00	389.62	11.88	-28.12
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CCCC(C3)C2)=C1	REAL300020288949	0	50	-1.0	-42.73	374.39	10.46	-32.27
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CCCC(C3)C2)=C1	REAL300020288949	1	50	-1.0	-42.73	374.33	10.43	-32.30
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C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=NOC=C3)C2)=C1	REAL300020288951	0	43	-1.0	-49.80	353.47	6.54	-43.26
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O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288955	1	45	-1.0	-43.40	370.00	4.75	-38.65
CC1CC(F)(F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288956	0	43	-1.0	-41.06	372.41	8.27	-32.79
CC1CC(F)(F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288956	1	43	-1.0	-41.04	372.46	8.29	-32.75
CC1CC(F)(F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288957	0	40	-1.0	-41.64	350.98	7.52	-34.12
CC1CC(F)(F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288957	1	40	-1.0	-41.65	350.93	7.50	-34.15
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=CC=NO3)CC2)=C1	REAL300020288958	0	46	-1.0	-45.59	387.81	9.05	-36.54
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=CC=NO3)CC2)=C1	REAL300020288958	1	46	-1.0	-45.59	387.75	9.04	-36.55
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288959	0	52	-1.0	-42.36	422.64	9.42	-32.94
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288959	1	52	-1.0	-42.34	422.69	9.43	-32.91
CCCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288960	0	49	-1.0	-44.13	401.19	8.66	-35.47
CCCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288960	1	49	-1.0	-44.15	401.12	8.64	-35.51
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CC4CC3C2C4)=C1	REAL300020288961	0	48	-1.0	-41.25	383.41	9.94	-31.31
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CC4CC3C2C4)=C1	REAL300020288961	1	48	-1.0	-41.26	383.46	9.95	-31.31
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CC4CC3C2C4)=C1	REAL300020288962	0	45	-1.0	-45.59	357.73	8.31	-37.28
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CC4CC3C2C4)=C1	REAL300020288962	1	45	-1.0	-45.57	357.66	8.29	-37.28
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)O1	REAL300020288963	0	45	-1.0	-49.67	387.63	2.88	-46.79
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)O1	REAL300020288963	1	45	-1.0	-49.64	387.59	2.85	-46.79
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288964	0	45	-1.0	-44.37	393.38	10.46	-33.91
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288964	1	45	-1.0	-44.41	393.32	10.44	-33.97
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288965	0	46	-1.0	-46.66	385.32	8.32	-38.34
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288965	1	46	-1.0	-46.66	385.26	8.32	-38.34
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1(F)F	REAL300020288966	0	43	-1.0	-39.69	372.27	8.04	-31.65
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1(F)F	REAL300020288966	1	43	-1.0	-39.67	372.32	8.05	-31.62
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1(F)F	REAL300020288967	0	40	-1.0	-41.67	346.15	7.62	-34.05
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1(F)F	REAL300020288967	1	40	-1.0	-41.67	346.09	7.60	-34.07
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(C=CCO3)CC2)=C1	REAL300020288968	0	49	-1.0	-47.19	396.41	8.82	-38.37
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(C=CCO3)CC2)=C1	REAL300020288968	1	49	-1.0	-47.17	396.36	8.80	-38.37
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC2CCCN12	REAL300020288969	0	48	-1.0	-42.97	398.24	7.44	-35.53
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC2CCCN12	REAL300020288969	1	48	-1.0	-42.97	398.29	7.46	-35.51
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC2CCCN12	REAL300020288970	0	45	-1.0	-44.17	375.80	6.95	-37.22
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC2CCCN12	REAL300020288970	1	45	-1.0	-44.19	375.74	6.93	-37.26
C=C1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288971	0	44	-1.0	-41.21	368.30	8.56	-32.65
C=C1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288971	1	44	-1.0	-41.23	368.36	8.57	-32.66
C=C1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288972	0	41	-1.0	-43.98	348.09	8.16	-35.82
C=C1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288972	1	41	-1.0	-43.99	348.01	8.14	-35.85
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)O1	REAL300020288973	0	45	-1.0	-47.03	395.13	3.51	-43.52
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)O1	REAL300020288973	1	45	-1.0	-46.99	395.07	3.48	-43.51
CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288974	0	47	-1.0	-42.18	396.42	7.45	-34.73
CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288974	1	47	-1.0	-42.22	396.48	7.47	-34.75
CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020288975	0	44	-1.0	-44.09	374.99	6.68	-37.41
CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020288975	1	44	-1.0	-44.10	374.93	6.66	-37.44
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)[C@H]2COC[C@H]21	REAL300020288976	0	46	-1.0	-43.42	386.50	5.27	-38.15
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)[C@H]2COC[C@H]21	REAL300020288976	1	46	-1.0	-43.40	386.45	5.25	-38.15
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCC(F)(F)C1	REAL300020288977	0	46	-1.0	-44.72	370.41	9.27	-35.45
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCC(F)(F)C1	REAL300020288977	1	46	-1.0	-44.74	370.36	9.25	-35.49
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)C2)=C1	REAL300020288978	0	46	-1.0	-49.59	401.52	8.31	-41.28
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)C2)=C1	REAL300020288978	1	46	-1.0	-49.60	401.46	8.29	-41.31
CC(C1CCCO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288979	0	50	-1.0	-43.08	389.35	7.86	-35.22
CC(C1CCCO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288979	1	50	-1.0	-43.08	389.41	7.87	-35.21
CC(C1CCCO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288980	0	47	-1.0	-43.23	373.56	7.71	-35.52
CC(C1CCCO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288980	1	47	-1.0	-43.14	373.50	7.68	-35.46
C[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288981	0	43	-1.0	-41.95	337.72	6.99	-34.96
C[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288981	1	43	-1.0	-41.93	337.79	7.00	-34.93
C[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288982	0	40	-1.0	-43.29	344.70	7.23	-36.06
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CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC[C@H]1F	REAL300020288985	1	44	-1.0	-41.76	379.14	6.43	-35.33
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CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288990	1	46	-1.0	-44.40	382.72	8.20	-36.20
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCCCCCC2)=C1	REAL300020288991	0	52	-1.0	-42.22	405.22	10.14	-32.08
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCCCCCC2)=C1	REAL300020288991	1	52	-1.0	-42.21	405.17	10.11	-32.10
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288992	0	47	-1.0	-40.65	385.57	8.98	-31.67
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288992	1	47	-1.0	-40.65	385.63	8.99	-31.66
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288993	0	44	-1.0	-44.58	361.43	8.36	-36.22
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288993	1	44	-1.0	-44.60	361.36	8.34	-36.26
C[C@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288994	0	44	-1.0	-40.89	382.90	7.54	-33.35
C[C@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288994	1	44	-1.0	-40.87	382.96	7.55	-33.32
C[C@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288995	0	41	-1.0	-41.80	334.27	6.11	-35.69
C[C@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020288995	1	41	-1.0	-41.78	334.21	6.09	-35.69
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C#CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288996	1	41	-1.0	-42.91	369.27	8.28	-34.63
C#CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020288997	0	38	-1.0	-43.43	347.78	7.50	-35.93
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C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=CC=CS1	REAL300020288998	1	45	-1.0	-44.34	389.12	10.21	-34.13
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CN(CC12CCC(CC1)C2)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020289001	1	53	-1.0	-40.27	411.50	10.26	-30.01
CN(CC12CCC(CC1)C2)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020289002	0	50	-1.0	-43.25	389.39	9.46	-33.79
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FCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020289004	0	49	-1.0	-45.42	405.09	9.81	-35.61
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NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020289005	1	47	-1.0	-46.05	394.74	4.97	-41.08
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NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020289006	1	44	-1.0	-49.63	371.78	4.47	-45.16
OCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020289007	0	47	-1.0	-45.02	400.60	5.56	-39.46
OCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020289007	1	47	-1.0	-45.06	400.66	5.58	-39.48
OCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CC1	REAL300020289008	0	44	-1.0	-47.36	379.17	4.80	-42.56
OCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CC1	REAL300020289008	1	44	-1.0	-47.32	379.11	4.78	-42.54
CO[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020289009	0	47	-1.0	-41.32	393.31	7.30	-34.02
CO[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020289009	1	47	-1.0	-41.35	393.37	7.32	-34.03
CO[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020289010	0	44	-1.0	-45.38	367.19	6.84	-38.54
CO[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020289010	1	44	-1.0	-45.34	367.15	6.82	-38.52
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CC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020289012	0	47	-1.0	-39.87	368.74	6.37	-33.50
CC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020289012	1	47	-1.0	-39.86	368.81	6.37	-33.49
CC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020289013	0	44	-1.0	-43.05	348.82	5.99	-37.06
CC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020289013	1	44	-1.0	-43.08	348.78	5.96	-37.12
CO[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020289014	0	47	-1.0	-41.16	397.10	7.21	-33.95
CO[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020289014	1	47	-1.0	-41.22	397.15	7.23	-33.99
CO[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020289015	0	44	-1.0	-44.82	349.54	5.86	-38.96
CO[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020289015	1	44	-1.0	-44.73	349.50	5.83	-38.90
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020289016	0	48	-1.0	-41.77	402.32	5.85	-35.92
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020289016	1	48	-1.0	-41.80	402.38	5.86	-35.94
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020289017	0	45	-1.0	-44.21	379.59	5.38	-38.83
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020289017	1	45	-1.0	-44.20	379.53	5.37	-38.83
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020289018	0	48	-1.0	-40.69	380.86	4.77	-35.92
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020289018	1	48	-1.0	-40.70	380.93	4.77	-35.93
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)CCO1	REAL300020289019	0	45	-1.0	-44.17	384.94	5.27	-38.90
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)CCO1	REAL300020289019	1	45	-1.0	-44.14	384.89	5.24	-38.90
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C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(C=CCO3)C2)=C1	REAL300020289020	1	49	-1.0	-43.09	407.69	8.42	-34.67
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(C=CCO3)C2)=C1	REAL300020289021	0	46	-1.0	-43.87	384.74	7.61	-36.26
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(C=CCO3)C2)=C1	REAL300020289021	1	46	-1.0	-43.85	384.69	7.58	-36.27
CC1(C)C=CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020289022	0	44	-1.0	-40.33	371.43	8.05	-32.28
CC1(C)C=CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020289022	1	44	-1.0	-40.40	371.48	8.06	-32.34
CC1(C)C=CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020289023	0	41	-1.0	-43.50	341.83	7.27	-36.23
CC1(C)C=CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020289023	1	41	-1.0	-43.50	341.76	7.24	-36.26
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C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020289025	0	43	-1.0	-42.06	359.34	7.22	-34.84
C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020289025	1	43	-1.0	-42.09	359.40	7.23	-34.86
C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020289026	0	40	-1.0	-42.96	342.82	7.58	-35.38
C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020289026	1	40	-1.0	-43.00	342.73	7.57	-35.43
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C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020289028	0	43	-1.0	-42.06	359.34	7.22	-34.84
C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020289028	1	43	-1.0	-42.09	359.40	7.23	-34.86
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C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(C=CCO3)CC2)=C1	REAL300020289033	0	46	-1.0	-46.07	389.18	7.68	-38.39
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(C=CCO3)CC2)=C1	REAL300020289033	1	46	-1.0	-46.03	389.13	7.66	-38.37
CCN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020289034	0	50	-1.0	-43.15	410.80	8.00	-35.15
CCN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020289034	1	50	-1.0	-43.19	410.72	7.98	-35.21
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(C2)CCCCO3)=C1	REAL300020289035	0	48	-1.0	-46.11	392.11	7.49	-38.62
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(C2)CCCCO3)=C1	REAL300020289035	1	48	-1.0	-46.09	392.05	7.47	-38.62
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)=N1	REAL300020289036	0	46	-1.0	-43.56	399.88	10.91	-32.65
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)=N1	REAL300020289036	1	46	-1.0	-43.56	399.82	10.89	-32.67
CCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)=N1	REAL300020289037	0	43	-1.0	-45.62	378.37	10.12	-35.50
CCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)=N1	REAL300020289037	1	43	-1.0	-45.61	378.31	10.10	-35.51
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=NOCC3)CC2)=C1	REAL300020289038	0	48	-1.0	-48.47	398.36	8.14	-40.33
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=NOCC3)CC2)=C1	REAL300020289038	1	48	-1.0	-48.43	398.29	8.13	-40.30
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)=C1	REAL300020289039	0	45	-1.0	-44.26	370.83	8.98	-35.28
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)=C1	REAL300020289039	1	45	-1.0	-44.22	370.88	8.99	-35.23
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)=C1	REAL300020289040	0	42	-1.0	-47.83	347.20	7.63	-40.20
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)=C1	REAL300020289040	1	42	-1.0	-47.80	347.14	7.61	-40.19
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(C2)CC=CCO3)=C1	REAL300020289041	0	49	-1.0	-41.47	396.77	7.93	-33.54
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(C2)CC=CCO3)=C1	REAL300020289041	1	49	-1.0	-41.42	396.82	7.95	-33.47
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(C2)CC=CCO3)=C1	REAL300020289042	0	46	-1.0	-45.24	372.25	7.46	-37.78
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(C2)CC=CCO3)=C1	REAL300020289042	1	46	-1.0	-45.22	372.20	7.44	-37.78
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOCCOCC2)=C1	REAL300020289043	0	48	-1.0	-41.19	364.78	4.83	-36.36
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOCCOCC2)=C1	REAL300020289043	1	48	-1.0	-41.18	364.84	4.84	-36.34
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOCCOCC2)=C1	REAL300020289044	0	45	-1.0	-43.64	362.59	4.64	-39.00
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOCCOCC2)=C1	REAL300020289044	1	45	-1.0	-43.62	362.53	4.62	-39.00
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC=CCC3(CC3)C2)=C1	REAL300020289045	0	48	-1.0	-40.90	399.80	9.82	-31.08
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC=CCC3(CC3)C2)=C1	REAL300020289045	1	48	-1.0	-40.88	399.86	9.83	-31.05
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC=CCC3(CC3)C2)=C1	REAL300020289046	0	45	-1.0	-42.80	378.26	9.06	-33.74
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC=CCC3(CC3)C2)=C1	REAL300020289046	1	45	-1.0	-42.80	378.21	9.03	-33.77
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020289047	0	47	-1.0	-44.43	389.16	10.23	-34.20
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020289047	1	47	-1.0	-44.44	389.11	10.22	-34.22
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3CCCCC32)=C1	REAL300020289048	0	50	-1.0	-43.69	400.18	9.66	-34.03
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3CCCCC32)=C1	REAL300020289048	1	50	-1.0	-43.69	400.24	9.68	-34.01
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CCCCC32)=C1	REAL300020289049	0	47	-1.0	-44.62	383.58	9.06	-35.56
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CCCCC32)=C1	REAL300020289049	1	47	-1.0	-44.61	383.52	9.03	-35.58
CCC(O)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020289050	0	49	-1.0	-41.26	404.62	5.27	-35.99
CCC(O)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020289050	1	49	-1.0	-41.27	404.68	5.28	-35.99
CCC(O)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020289051	0	46	-1.0	-41.99	382.95	4.52	-37.47
CCC(O)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020289051	1	46	-1.0	-42.01	382.89	4.50	-37.51
CCN(CCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020289052	0	49	-1.0	-44.09	406.34	5.22	-38.87
CCN(CCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020289052	1	49	-1.0	-44.11	406.40	5.23	-38.88
CCN(CCCCO)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CC=CS1	REAL300020289053	0	46	-1.0	-44.68	384.53	4.44	-40.24
CCN(CCCCO)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CC=CS1	REAL300020289053	1	46	-1.0	-44.71	384.41	4.40	-40.31
CN1C(=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)[C@H]2C[C@H]21	REAL300020289054	0	45	-1.0	-42.04	384.38	7.17	-34.87
CN1C(=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)[C@H]2C[C@H]21	REAL300020289054	1	45	-1.0	-42.06	384.44	7.19	-34.87
CN1C(=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)[C@H]2C[C@H]21	REAL300020289055	0	42	-1.0	-52.62	362.26	5.19	-47.43
CN1C(=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)[C@H]2C[C@H]21	REAL300020289055	1	42	-1.0	-52.64	362.21	5.17	-47.47
CC1=NOC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)CC2	REAL300020289056	0	48	-1.0	-51.23	401.79	8.02	-43.21
CC1=NOC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)CC2	REAL300020289056	1	48	-1.0	-51.27	401.74	8.01	-43.26
O=C1NC2=C(CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=CC=CS3)C2)C(=O)N1	REAL300020289057	0	41	-1.0	-46.10	366.64	2.89	-43.21
O=C1NC2=C(CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=CC=CS3)C2)C(=O)N1	REAL300020289057	1	41	-1.0	-46.16	366.58	2.86	-43.30
FC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020289058	0	44	-1.0	-40.06	370.00	9.30	-30.76
FC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020289058	1	44	-1.0	-39.99	370.06	9.31	-30.68
FC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=CC=CS1)C2	REAL300020289059	0	41	-1.0	-41.47	356.05	8.50	-32.97
FC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=CC=CS1)C2	REAL300020289059	1	41	-1.0	-41.44	355.99	8.48	-32.96
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3C[C@@H]2CO3)=C1	REAL300020289060	0	42	-1.0	-43.83	354.95	5.81	-38.02
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3C[C@@H]2CO3)=C1	REAL300020289060	1	42	-1.0	-43.84	355.00	5.83	-38.01
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3C[C@@H]2CO3)=C1	REAL300020289061	0	39	-1.0	-46.74	333.20	5.04	-41.70
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3C[C@@H]2CO3)=C1	REAL300020289061	1	39	-1.0	-46.72	333.14	5.02	-41.70
CC(C)CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=CC=CS2)=N1	REAL300020289062	0	49	-1.0	-43.58	419.69	11.68	-31.90
CC(C)CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=CC=CS2)=N1	REAL300020289062	1	49	-1.0	-43.54	419.63	11.67	-31.87
CC(C)CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)=N1	REAL300020289063	0	46	-1.0	-45.22	393.72	10.93	-34.29
CC(C)CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)=N1	REAL300020289063	1	46	-1.0	-45.21	393.67	10.91	-34.30
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=CC=CS2)C1	REAL300020289064	0	47	-1.0	-52.12	392.80	5.93	-46.19
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=CC=CS2)C1	REAL300020289064	1	47	-1.0	-52.08	392.74	5.91	-46.17
C1=CSC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3OCCO[C@H]3C2)=C1	REAL300020289065	0	46	-1.0	-43.28	378.37	5.87	-37.41
C1=CSC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3OCCO[C@H]3C2)=C1	REAL300020289065	1	46	-1.0	-43.28	378.43	5.89	-37.39
C1=CSC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3OCCO[C@H]3C2)=C1	REAL300020289066	0	43	-1.0	-46.01	356.94	5.12	-40.89
C1=CSC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3OCCO[C@H]3C2)=C1	REAL300020289066	1	43	-1.0	-46.04	356.88	5.09	-40.95
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289067	0	50	-1.0	-43.38	392.33	7.73	-35.65
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289067	1	50	-1.0	-43.35	392.39	7.75	-35.60
CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289068	0	47	-1.0	-45.54	372.66	7.43	-38.11
CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289068	1	47	-1.0	-45.48	372.60	7.41	-38.07
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289069	0	56	-1.0	-43.16	431.10	8.77	-34.39
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289069	1	56	-1.0	-43.21	431.16	8.78	-34.43
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289070	0	53	-1.0	-52.08	405.52	7.47	-44.61
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289070	1	53	-1.0	-52.11	405.45	7.48	-44.63
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCCCC1	REAL300020289071	0	53	-1.0	-43.81	396.33	7.03	-36.78
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCCCC1	REAL300020289071	1	53	-1.0	-43.82	396.39	7.04	-36.78
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCCCC1	REAL300020289072	0	50	-1.0	-41.87	376.05	6.92	-34.95
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCCCC1	REAL300020289072	1	50	-1.0	-41.85	376.11	6.95	-34.90
CCSC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289073	0	54	-1.0	-46.22	422.52	7.79	-38.43
CCSC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289073	1	54	-1.0	-46.23	422.58	7.82	-38.41
CCSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289074	0	56	-1.0	-40.00	432.38	9.01	-30.99
CCSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289074	1	56	-1.0	-40.02	432.45	9.03	-30.99
CCSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289075	0	53	-1.0	-40.70	415.41	8.41	-32.29
CCSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289075	1	53	-1.0	-40.74	415.47	8.43	-32.31
CC1=CC(F)=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020289076	0	51	-1.0	-40.42	402.90	8.75	-31.67
CC1=CC(F)=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020289076	1	51	-1.0	-40.39	402.96	8.77	-31.62
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCC(C)C1	REAL300020289077	0	57	-1.0	-47.88	421.49	6.37	-41.51
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCC(C)C1	REAL300020289077	1	57	-1.0	-47.92	421.55	6.40	-41.52
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289078	0	55	-1.0	-39.62	412.80	7.51	-32.11
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289078	1	55	-1.0	-39.64	412.86	7.52	-32.12
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289079	0	52	-1.0	-41.46	396.35	7.07	-34.39
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289079	1	52	-1.0	-41.45	396.41	7.10	-34.35
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCC2=CC=CC=C21	REAL300020289080	0	54	-1.0	-42.95	418.31	9.28	-33.67
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCC2=CC=CC=C21	REAL300020289080	1	54	-1.0	-42.93	418.37	9.31	-33.62
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCC2=CC=CC=C21	REAL300020289081	0	51	-1.0	-45.64	388.91	7.62	-38.02
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCC2=CC=CC=C21	REAL300020289081	1	51	-1.0	-45.56	388.84	7.61	-37.95
COC1=CC=C(C(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289082	0	54	-1.0	-51.33	418.69	6.75	-44.58
COC1=CC=C(C(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289082	1	54	-1.0	-51.35	418.66	6.75	-44.60
CC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289083	0	54	-1.0	-41.30	411.38	8.59	-32.71
CC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289083	1	54	-1.0	-41.30	411.44	8.62	-32.68
C(CC1=NN=C(N2CCC3(CC2)OCCO3)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289084	0	53	-1.0	-46.16	401.56	4.92	-41.24
C(CC1=NN=C(N2CCC3(CC2)OCCO3)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289084	1	53	-1.0	-46.14	401.62	4.94	-41.20
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CC2)OCCO3)N1CC1CCOC1	REAL300020289085	0	50	-1.0	-46.78	388.21	5.21	-41.57
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CC2)OCCO3)N1CC1CCOC1	REAL300020289085	1	50	-1.0	-46.84	388.26	5.22	-41.62
C(CC1=NN=C(N2CCSCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289086	0	45	-1.0	-39.85	370.43	6.27	-33.58
C(CC1=NN=C(N2CCSCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289086	1	45	-1.0	-39.82	370.49	6.29	-33.53
C(C1=N[N-]N=N1)C1=NN=C(N2CCSCC2)N1CC1CCOC1	REAL300020289087	0	42	-1.0	-39.96	342.85	5.75	-34.21
C(C1=NN=N[N-]1)C1=NN=C(N2CCSCC2)N1CC1CCOC1	REAL300020289087	1	42	-1.0	-39.94	342.90	5.79	-34.15
C1=CC(C2=NN=C(N3CCSCC3)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020289088	0	49	-1.0	-44.86	395.72	7.99	-36.87
C1=CC(C2=NN=C(N3CCSCC3)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020289088	1	49	-1.0	-44.85	395.73	7.97	-36.88
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C(C)C	REAL300020289089	0	49	-1.0	-41.06	368.87	5.55	-35.51
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C(C)C	REAL300020289089	1	49	-1.0	-41.06	368.93	5.56	-35.50
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C(C)C	REAL300020289090	0	46	-1.0	-42.42	351.21	5.06	-37.36
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C(C)C	REAL300020289090	1	46	-1.0	-42.38	351.16	5.04	-37.34
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1)C(C)C	REAL300020289091	0	53	-1.0	-45.41	399.11	7.19	-38.22
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1)C(C)C	REAL300020289091	1	53	-1.0	-45.38	399.16	7.17	-38.21
OCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289092	0	51	-1.0	-41.91	395.92	4.10	-37.81
OCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289092	1	51	-1.0	-41.92	395.97	4.11	-37.81
OCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289093	0	48	-1.0	-51.70	361.52	3.04	-48.66
OCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289093	1	48	-1.0	-51.73	361.58	3.04	-48.69
CC(C)N(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289094	0	53	-1.0	-41.31	402.89	7.91	-33.40
CC(C)N(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289094	1	53	-1.0	-41.30	402.95	7.92	-33.38
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289095	0	50	-1.0	-50.32	376.60	6.41	-43.91
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289095	1	50	-1.0	-50.30	376.72	6.41	-43.89
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289096	0	50	-1.0	-54.60	391.84	7.47	-47.13
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289096	1	50	-1.0	-54.61	391.80	7.48	-47.13
C(CC1=NN=C(N(CC2CCOC2)C2CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289097	0	55	-1.0	-40.06	411.32	6.19	-33.87
C(CC1=NN=C(N(CC2CCOC2)C2CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289097	1	55	-1.0	-40.00	411.39	6.20	-33.80
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CCOC2)C2CC2)N1CC1CCOC1	REAL300020289098	0	52	-1.0	-51.18	381.18	5.72	-45.46
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CCOC2)C2CC2)N1CC1CCOC1	REAL300020289098	1	52	-1.0	-51.20	381.22	5.75	-45.45
FC1=CC=CC(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C2CC2)=C1	REAL300020289099	0	51	-1.0	-51.68	406.59	8.56	-43.12
FC1=CC=CC(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C2CC2)=C1	REAL300020289099	1	51	-1.0	-51.66	406.67	8.56	-43.10
C1=CSC(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C2CC2)=C1	REAL300020289100	0	48	-1.0	-45.97	392.20	7.67	-38.30
C1=CSC(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C2CC2)=C1	REAL300020289100	1	48	-1.0	-45.97	392.26	7.69	-38.28
CCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289101	0	59	-1.0	-41.90	439.97	8.60	-33.30
CCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289101	1	59	-1.0	-41.87	440.01	8.61	-33.26
CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289102	0	56	-1.0	-47.04	410.46	8.36	-38.68
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289102	1	56	-1.0	-47.07	410.51	8.38	-38.69
CC1CCCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289103	0	56	-1.0	-43.79	402.36	7.42	-36.37
CC1CCCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289103	1	56	-1.0	-43.77	402.43	7.44	-36.33
CC1CCCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289104	0	53	-1.0	-51.74	383.44	5.85	-45.89
CC1CCCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289104	1	53	-1.0	-51.75	383.54	5.85	-45.90
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289105	0	50	-1.0	-39.91	387.96	6.82	-33.09
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289105	1	50	-1.0	-39.93	388.01	6.83	-33.10
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289106	0	47	-1.0	-50.29	362.09	5.83	-44.46
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289106	1	47	-1.0	-50.31	362.15	5.84	-44.47
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1C	REAL300020289107	0	50	-1.0	-46.04	359.75	5.48	-40.56
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1C	REAL300020289107	1	50	-1.0	-46.03	359.81	5.50	-40.53
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1C	REAL300020289108	0	47	-1.0	-48.92	363.46	6.52	-42.40
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1C	REAL300020289108	1	47	-1.0	-48.88	363.51	6.54	-42.34
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1C	REAL300020289109	0	54	-1.0	-45.59	412.02	8.66	-36.93
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1C	REAL300020289109	1	54	-1.0	-45.57	412.05	8.64	-36.93
C(CC1=NN=C(N2CC3CCCCCCC32)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289110	0	57	-1.0	-44.33	413.04	6.21	-38.12
C(CC1=NN=C(N2CC3CCCCCCC32)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289110	1	57	-1.0	-44.29	413.10	6.23	-38.06
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCCCCC32)N1CC1CCOC1	REAL300020289111	0	54	-1.0	-43.20	392.31	6.57	-36.63
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCCCCC32)N1CC1CCOC1	REAL300020289111	1	54	-1.0	-43.19	392.36	6.60	-36.59
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289112	0	56	-1.0	-41.07	423.82	9.56	-31.51
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289112	1	56	-1.0	-41.06	423.87	9.58	-31.48
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289113	0	53	-1.0	-50.77	401.50	7.91	-42.86
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289113	1	53	-1.0	-50.71	401.54	7.90	-42.81
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCCCC2)N1CC1CCOC1	REAL300020289114	0	57	-1.0	-47.59	390.95	7.10	-40.49
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2CCCCC2)N1CC1CCOC1	REAL300020289114	1	57	-1.0	-47.61	391.01	7.12	-40.49
CC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289115	0	54	-1.0	-48.64	394.85	8.39	-40.25
CC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289115	1	54	-1.0	-48.64	394.80	8.38	-40.26
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020289116	0	54	-1.0	-41.31	411.36	8.59	-32.72
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020289116	1	54	-1.0	-41.33	411.41	8.62	-32.71
C1=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=CS1	REAL300020289117	0	48	-1.0	-51.37	364.62	7.00	-44.37
C1=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=CS1	REAL300020289117	1	48	-1.0	-51.33	364.64	7.01	-44.32
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289118	0	56	-1.0	-40.52	423.27	9.43	-31.09
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289118	1	56	-1.0	-40.50	423.33	9.44	-31.06
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289119	0	53	-1.0	-54.58	405.48	8.62	-45.96
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289119	1	53	-1.0	-54.54	405.43	8.62	-45.92
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C(C)C	REAL300020289120	0	58	-1.0	-41.19	432.78	7.91	-33.28
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C(C)C	REAL300020289120	1	58	-1.0	-41.22	432.84	7.92	-33.30
CCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C(C)C	REAL300020289121	0	55	-1.0	-43.55	414.87	7.28	-36.27
CCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C(C)C	REAL300020289121	1	55	-1.0	-43.54	414.93	7.30	-36.24
CC(C)N(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289122	0	50	-1.0	-48.41	386.42	7.44	-40.97
CC(C)N(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289122	1	50	-1.0	-48.39	386.45	7.46	-40.93
CN(CC(=O)N1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289123	0	52	-1.0	-48.89	400.50	3.41	-45.48
CN(CC(=O)N1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289123	1	52	-1.0	-48.95	400.43	3.40	-45.55
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCS(=O)(=O)C1	REAL300020289124	0	50	-1.0	-55.31	390.57	2.56	-52.75
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCS(=O)(=O)C1	REAL300020289124	1	50	-1.0	-55.30	390.63	2.58	-52.72
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCS(=O)(=O)C1	REAL300020289125	0	47	-1.0	-50.64	369.60	2.41	-48.23
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCS(=O)(=O)C1	REAL300020289125	1	47	-1.0	-50.63	369.66	2.42	-48.21
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCS(=O)(=O)C1	REAL300020289126	0	50	-1.0	-52.85	386.84	2.44	-50.41
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCS(=O)(=O)C1	REAL300020289126	1	50	-1.0	-52.85	386.89	2.44	-50.41
CC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289127	0	56	-1.0	-43.80	399.30	7.62	-36.18
CC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289127	1	56	-1.0	-43.71	399.36	7.64	-36.07
CC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289128	0	53	-1.0	-51.05	377.83	6.94	-44.11
CC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289128	1	53	-1.0	-51.02	377.81	6.95	-44.07
CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289129	0	50	-1.0	-39.08	405.59	7.34	-31.74
CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289129	1	50	-1.0	-39.05	405.65	7.36	-31.69
CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289130	0	47	-1.0	-41.17	389.46	6.90	-34.27
CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289130	1	47	-1.0	-41.22	389.52	6.92	-34.30
C#CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289131	0	53	-1.0	-56.97	414.95	5.24	-51.73
C#CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289131	1	53	-1.0	-57.02	415.01	5.24	-51.78
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289132	0	52	-1.0	-52.72	407.30	4.46	-48.26
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289132	1	52	-1.0	-52.72	407.34	4.49	-48.23
CC(C(C)S(C)(=O)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289133	0	52	-1.0	-52.97	402.76	3.83	-49.14
CC(C(C)S(C)(=O)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289133	1	52	-1.0	-52.95	402.82	3.86	-49.09
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289134	0	51	-1.0	-48.13	386.00	7.49	-40.64
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289134	1	51	-1.0	-48.13	386.05	7.51	-40.62
C(CC1=NN=C(N2CC3CCCC32)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289135	0	48	-1.0	-39.54	367.23	5.98	-33.56
C(CC1=NN=C(N2CC3CCCC32)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289135	1	48	-1.0	-39.53	367.29	5.99	-33.54
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCC32)N1CC1CCOC1	REAL300020289136	0	45	-1.0	-45.92	336.52	4.60	-41.32
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCC32)N1CC1CCOC1	REAL300020289136	1	45	-1.0	-45.95	336.59	4.61	-41.34
C1=CC(C2=NN=C(N3CC4CCCC43)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020289137	0	52	-1.0	-43.00	399.70	7.33	-35.67
C1=CC(C2=NN=C(N3CC4CCCC43)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020289137	1	52	-1.0	-42.95	399.75	7.31	-35.64
CC(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289138	0	59	-1.0	-42.36	425.77	8.16	-34.20
CC(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289138	1	59	-1.0	-42.33	425.82	8.18	-34.15
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289139	0	59	-1.0	-40.42	439.54	8.64	-31.78
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289139	1	59	-1.0	-40.45	439.60	8.66	-31.79
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289140	0	56	-1.0	-51.06	401.03	8.13	-42.93
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289140	1	56	-1.0	-51.08	401.02	8.16	-42.92
C#CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289141	0	45	-1.0	-43.06	352.96	5.75	-37.31
C#CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289141	1	45	-1.0	-43.04	353.01	5.77	-37.27
C#CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289142	0	42	-1.0	-40.69	339.88	5.46	-35.23
C#CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289142	1	42	-1.0	-40.71	339.82	5.44	-35.27
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289143	0	49	-1.0	-45.12	394.86	8.11	-37.01
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289143	1	49	-1.0	-45.06	394.91	8.09	-36.97
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020289144	0	52	-1.0	-51.67	399.59	6.81	-44.86
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020289144	1	52	-1.0	-51.71	399.58	6.82	-44.89
CC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289145	0	56	-1.0	-42.92	402.38	7.81	-35.11
CC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289145	1	56	-1.0	-42.90	402.44	7.83	-35.07
CC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289146	0	53	-1.0	-50.51	379.26	7.11	-43.40
CC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289146	1	53	-1.0	-50.54	379.42	7.12	-43.42
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289147	0	54	-1.0	-49.60	408.20	9.20	-40.40
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289147	1	54	-1.0	-49.65	408.27	9.20	-40.45
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289148	0	51	-1.0	-44.73	395.06	7.91	-36.82
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289148	1	51	-1.0	-44.71	395.12	7.92	-36.79
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289149	0	48	-1.0	-44.36	379.46	7.31	-37.05
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289149	1	48	-1.0	-44.32	379.41	7.29	-37.03
CN(CCCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289150	0	53	-1.0	-41.33	411.77	3.95	-37.38
CN(CCCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289150	1	53	-1.0	-41.32	411.83	3.97	-37.35
CN(CCCCCO)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289151	0	50	-1.0	-42.96	396.20	3.39	-39.57
CN(CCCCCO)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289151	1	50	-1.0	-42.96	396.26	3.42	-39.54
C1=CC=C(C2=CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)C=C1	REAL300020289152	0	52	-1.0	-42.63	417.26	9.67	-32.96
C1=CC=C(C2=CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)C=C1	REAL300020289152	1	52	-1.0	-42.62	417.20	9.64	-32.98
CC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289153	0	53	-1.0	-39.80	404.28	6.57	-33.23
CC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289153	1	53	-1.0	-39.80	404.33	6.58	-33.22
CC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289154	0	50	-1.0	-43.07	382.61	5.87	-37.20
CC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289154	1	50	-1.0	-43.11	382.66	5.89	-37.22
CC1C2=CC=CC=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289155	0	54	-1.0	-40.81	417.96	9.09	-31.72
CC1C2=CC=CC=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289155	1	54	-1.0	-40.82	418.02	9.10	-31.72
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289156	0	51	-1.0	-44.72	394.64	7.33	-37.39
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289156	1	51	-1.0	-44.73	394.57	7.30	-37.43
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289157	0	51	-1.0	-38.79	399.24	7.69	-31.10
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289157	1	51	-1.0	-38.82	399.30	7.70	-31.12
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289158	0	48	-1.0	-43.70	371.72	6.72	-36.98
C=CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289158	1	48	-1.0	-43.69	371.66	6.69	-37.00
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289159	0	54	-1.0	-43.50	439.62	8.37	-35.13
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289159	1	54	-1.0	-43.54	439.67	8.39	-35.15
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289160	0	51	-1.0	-43.86	413.84	7.94	-35.92
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289160	1	51	-1.0	-43.85	413.90	7.95	-35.90
CN1C=NN=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289161	0	53	-1.0	-52.53	410.41	7.57	-44.96
CN1C=NN=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289161	1	53	-1.0	-52.58	410.42	7.57	-45.01
CN1C=NN=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289162	0	50	-1.0	-56.72	383.71	6.04	-50.68
CN1C=NN=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289162	1	50	-1.0	-56.66	383.78	6.06	-50.60
C1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289163	0	48	-1.0	-48.68	373.81	9.84	-38.84
C1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289163	1	48	-1.0	-48.67	373.87	9.86	-38.81
C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289164	0	45	-1.0	-43.72	363.56	9.02	-34.70
C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289164	1	45	-1.0	-43.70	363.52	9.00	-34.70
CC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289165	0	50	-1.0	-45.42	394.72	8.56	-36.86
CC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289165	1	50	-1.0	-45.47	394.78	8.57	-36.90
CC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289166	0	47	-1.0	-43.64	372.61	7.99	-35.65
CC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289166	1	47	-1.0	-43.68	372.55	7.97	-35.71
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020289167	0	50	-1.0	-42.02	393.06	8.43	-33.59
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020289167	1	50	-1.0	-42.00	393.12	8.44	-33.56
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020289168	0	47	-1.0	-48.57	374.76	7.91	-40.66
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020289168	1	47	-1.0	-48.53	374.71	7.89	-40.64
CC1=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=CC(C)=C1	REAL300020289169	0	53	-1.0	-42.19	419.64	9.34	-32.85
CC1=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=CC(C)=C1	REAL300020289169	1	53	-1.0	-42.27	419.70	9.36	-32.91
CC1=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=CC(C)=C1	REAL300020289170	0	50	-1.0	-48.99	396.18	8.58	-40.41
CC1=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=CC(C)=C1	REAL300020289170	1	50	-1.0	-48.99	396.12	8.55	-40.44
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=C1C	REAL300020289171	0	53	-1.0	-46.93	407.81	10.76	-36.17
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=C1C	REAL300020289171	1	53	-1.0	-46.94	407.87	10.77	-36.17
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1C	REAL300020289172	0	50	-1.0	-48.14	386.38	9.99	-38.15
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1C	REAL300020289172	1	50	-1.0	-48.14	386.33	9.96	-38.18
CC(C)C1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020289173	0	56	-1.0	-41.51	431.86	9.67	-31.84
CC(C)C1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020289173	1	56	-1.0	-41.50	431.91	9.68	-31.82
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020289174	0	53	-1.0	-47.88	413.55	9.16	-38.72
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020289174	1	53	-1.0	-47.91	413.50	9.13	-38.78
CC1=CC2=C(C=C1C)N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020289175	0	54	-1.0	-48.04	412.44	11.00	-37.04
CC1=CC2=C(C=C1C)N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020289175	1	54	-1.0	-48.02	412.49	11.01	-37.01
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020289176	0	51	-1.0	-57.34	382.65	10.52	-46.82
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020289176	1	51	-1.0	-57.35	382.57	10.50	-46.85
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289177	0	51	-1.0	-48.75	395.26	10.51	-38.24
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289177	1	51	-1.0	-48.70	395.32	10.53	-38.17
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289178	0	48	-1.0	-43.68	385.01	9.68	-34.00
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289178	1	48	-1.0	-43.69	384.95	9.67	-34.02
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C2=CC=CC=C21	REAL300020289179	0	54	-1.0	-42.35	412.60	10.33	-32.02
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C2=CC=CC=C21	REAL300020289179	1	54	-1.0	-42.34	412.51	10.30	-32.04
CC(C)C1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289180	0	56	-1.0	-45.34	433.50	9.81	-35.53
CC(C)C1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289180	1	56	-1.0	-45.36	433.56	9.83	-35.53
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289181	0	53	-1.0	-43.42	411.40	9.24	-34.18
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289181	1	53	-1.0	-43.43	411.34	9.21	-34.22
C1=CC=C2C(=C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)CC21CC1	REAL300020289182	0	52	-1.0	-43.62	409.10	10.67	-32.95
C1=CC=C2C(=C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)CC21CC1	REAL300020289182	1	52	-1.0	-43.62	409.15	10.68	-32.94
C1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC21CC1	REAL300020289183	0	49	-1.0	-43.53	395.69	10.35	-33.18
C1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC21CC1	REAL300020289183	1	49	-1.0	-43.51	395.62	10.33	-33.18
C1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC21CCC1	REAL300020289184	0	52	-1.0	-43.36	407.75	10.65	-32.71
C1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC21CCC1	REAL300020289184	1	52	-1.0	-43.28	407.66	10.63	-32.65
CC(C)OC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289185	0	54	-1.0	-44.57	419.87	7.98	-36.59
CC(C)OC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289185	1	54	-1.0	-44.57	419.81	7.94	-36.63
OCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289186	0	57	-1.0	-45.47	432.06	4.97	-40.50
OCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289186	1	57	-1.0	-45.45	432.11	4.98	-40.47
OCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289187	0	54	-1.0	-52.65	402.02	4.44	-48.21
OCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289187	1	54	-1.0	-52.70	402.08	4.44	-48.26
FC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020289188	0	51	-1.0	-43.78	400.33	8.19	-35.59
FC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020289188	1	51	-1.0	-43.82	400.38	8.20	-35.62
FC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020289189	0	48	-1.0	-41.90	378.07	7.61	-34.29
FC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020289189	1	48	-1.0	-41.94	378.14	7.63	-34.31
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2=CC=CC=C21	REAL300020289190	0	54	-1.0	-50.44	407.40	8.56	-41.88
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2=CC=CC=C21	REAL300020289190	1	54	-1.0	-50.43	407.18	8.56	-41.87
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2=N1	REAL300020289191	0	50	-1.0	-41.56	399.12	6.13	-35.43
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2=N1	REAL300020289191	1	50	-1.0	-41.56	399.18	6.15	-35.41
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=N1	REAL300020289192	0	47	-1.0	-49.35	368.55	5.09	-44.26
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=N1	REAL300020289192	1	47	-1.0	-49.37	368.60	5.09	-44.28
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCC1	REAL300020289193	0	47	-1.0	-41.97	359.20	6.64	-35.33
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCC1	REAL300020289193	1	47	-1.0	-41.95	359.26	6.65	-35.30
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCC1	REAL300020289194	0	44	-1.0	-51.51	338.96	5.30	-46.21
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCC1	REAL300020289194	1	44	-1.0	-51.51	339.08	5.32	-46.19
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1)C1CCC1	REAL300020289195	0	51	-1.0	-46.06	391.98	7.92	-38.14
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1)C1CCC1	REAL300020289195	1	51	-1.0	-46.12	392.02	7.91	-38.21
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCS(=O)(=O)CC1	REAL300020289196	0	50	-1.0	-48.49	392.17	3.13	-45.36
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCS(=O)(=O)CC1	REAL300020289196	1	50	-1.0	-48.45	392.23	3.15	-45.30
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C2CCCCC12	REAL300020289197	0	57	-1.0	-45.09	420.26	7.98	-37.11
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C2CCCCC12	REAL300020289197	1	57	-1.0	-45.11	420.31	7.99	-37.12
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C2CCCCC12	REAL300020289198	0	54	-1.0	-45.35	398.18	7.19	-38.16
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C2CCCCC12	REAL300020289198	1	54	-1.0	-45.34	398.24	7.22	-38.12
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289199	0	54	-1.0	-44.58	417.29	8.76	-35.82
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289199	1	54	-1.0	-44.60	417.34	8.78	-35.82
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289200	0	59	-1.0	-40.99	427.92	9.16	-31.83
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289200	1	59	-1.0	-40.98	427.98	9.17	-31.81
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289201	0	56	-1.0	-46.28	404.89	8.65	-37.63
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289201	1	56	-1.0	-46.31	404.95	8.67	-37.64
CC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289202	0	48	-1.0	-39.54	376.01	6.99	-32.55
CC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289202	1	48	-1.0	-39.59	376.07	7.01	-32.58
CC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289203	0	45	-1.0	-50.24	344.55	5.89	-44.35
CC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289203	1	45	-1.0	-50.20	344.55	5.88	-44.32
CC1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)CC1	REAL300020289204	0	52	-1.0	-44.97	405.92	8.60	-36.37
CC1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)CC1	REAL300020289204	1	52	-1.0	-44.89	406.01	8.58	-36.31
CC1SCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1C	REAL300020289205	0	51	-1.0	-38.70	394.83	6.98	-31.72
CC1SCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1C	REAL300020289205	1	51	-1.0	-38.72	394.89	6.99	-31.73
CC1SCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1C	REAL300020289206	0	48	-1.0	-43.25	367.26	6.20	-37.05
CC1SCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1C	REAL300020289206	1	48	-1.0	-43.26	367.31	6.23	-37.03
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289207	0	50	-1.0	-43.46	380.41	6.69	-36.77
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289207	1	50	-1.0	-43.49	380.46	6.71	-36.78
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289208	0	47	-1.0	-46.51	361.07	6.55	-39.96
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289208	1	47	-1.0	-46.50	361.12	6.57	-39.93
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289209	0	54	-1.0	-41.73	420.50	9.57	-32.16
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289209	1	54	-1.0	-41.70	420.72	9.56	-32.14
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCC(C)(C)CC1	REAL300020289210	0	59	-1.0	-44.04	427.33	8.11	-35.93
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCC(C)(C)CC1	REAL300020289210	1	59	-1.0	-44.01	427.38	8.12	-35.89
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCC(C)(C)CC1	REAL300020289211	0	56	-1.0	-41.74	410.31	7.86	-33.88
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCC(C)(C)CC1	REAL300020289211	1	56	-1.0	-41.74	410.36	7.89	-33.85
C#CCN(CC#CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289212	0	47	-1.0	-43.45	386.78	7.22	-36.23
C#CCN(CC#CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289212	1	47	-1.0	-43.43	386.84	7.24	-36.19
C#CCN(CC#CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289213	0	44	-1.0	-50.00	362.90	6.52	-43.48
C#CCN(CC#CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289213	1	44	-1.0	-49.97	362.88	6.52	-43.45
CC1=C(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289214	0	51	-1.0	-40.15	380.28	7.42	-32.73
CC1=C(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289214	1	51	-1.0	-40.17	380.33	7.43	-32.74
CC1=C(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289215	0	48	-1.0	-42.35	362.98	6.71	-35.64
CC1=C(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289215	1	48	-1.0	-42.36	362.92	6.69	-35.67
CCN(CC1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289216	0	53	-1.0	-41.65	399.38	7.51	-34.14
CCN(CC1CCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289216	1	53	-1.0	-41.69	399.43	7.52	-34.17
CCN(CC1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289217	0	50	-1.0	-51.15	375.02	6.24	-44.91
CCN(CC1CCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289217	1	50	-1.0	-51.21	374.99	6.23	-44.98
C(CC1=NN=C(N2CC3C2C2CCC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289218	0	52	-1.0	-41.05	371.00	6.22	-34.83
C(CC1=NN=C(N2CC3C2C2CCC3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289218	1	52	-1.0	-41.03	371.06	6.23	-34.80
C(C1=N[N-]N=N1)C1=NN=C(N2CC3C2C2CCC3C2)N1CC1CCOC1	REAL300020289219	0	49	-1.0	-44.98	348.82	5.79	-39.19
C(C1=NN=N[N-]1)C1=NN=C(N2CC3C2C2CCC3C2)N1CC1CCOC1	REAL300020289219	1	49	-1.0	-45.06	348.86	5.79	-39.27
CSCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289220	0	47	-1.0	-41.13	380.59	6.19	-34.94
CSCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289220	1	47	-1.0	-41.17	380.65	6.20	-34.97
CSCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289221	0	44	-1.0	-42.00	365.02	5.61	-36.39
CSCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289221	1	44	-1.0	-41.99	365.08	5.64	-36.35
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289222	0	56	-1.0	-43.47	408.97	8.01	-35.46
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289222	1	56	-1.0	-43.56	409.02	8.03	-35.53
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289223	0	53	-1.0	-41.44	399.95	7.59	-33.85
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289223	1	53	-1.0	-41.51	400.00	7.62	-33.89
CSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289224	0	54	-1.0	-41.31	416.41	8.71	-32.60
CSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289224	1	54	-1.0	-41.35	416.47	8.72	-32.63
CSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289225	0	51	-1.0	-46.82	391.10	7.57	-39.25
CSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289225	1	51	-1.0	-46.85	391.17	7.59	-39.26
CC1(C)CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289226	0	56	-1.0	-40.87	397.34	8.94	-31.93
CC1(C)CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289226	1	56	-1.0	-40.87	397.39	8.95	-31.92
CC1(C)CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289227	0	53	-1.0	-50.47	375.94	7.95	-42.52
CC1(C)CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289227	1	53	-1.0	-50.44	375.97	7.96	-42.48
C(CC1=NN=C(N2CCCC2C2CCCO2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289228	0	55	-1.0	-42.19	418.58	5.85	-36.34
C(CC1=NN=C(N2CCCC2C2CCCO2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289228	1	55	-1.0	-42.23	418.64	5.87	-36.36
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCCO2)N1CC1CCOC1	REAL300020289229	0	52	-1.0	-45.00	393.99	5.43	-39.57
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2CCCO2)N1CC1CCOC1	REAL300020289229	1	52	-1.0	-44.98	394.04	5.46	-39.52
CC(C)(C)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289230	0	57	-1.0	-39.23	430.01	8.63	-30.60
CC(C)(C)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289230	1	57	-1.0	-39.25	430.07	8.64	-30.61
CC(C)(C)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289231	0	54	-1.0	-42.25	400.84	7.46	-34.79
CC(C)(C)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289231	1	54	-1.0	-42.25	400.90	7.48	-34.77
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCOCC3)CC2)N1CC1CCOC1	REAL300020289232	0	55	-1.0	-47.47	403.61	6.18	-41.29
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCOCC3)CC2)N1CC1CCOC1	REAL300020289232	1	55	-1.0	-47.50	403.67	6.19	-41.31
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C2CCCCC2N1	REAL300020289233	0	52	-1.0	-47.13	393.64	3.72	-43.41
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C2CCCCC2N1	REAL300020289233	1	52	-1.0	-47.08	393.70	3.75	-43.33
C(CC1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289234	0	57	0.0	-61.88	420.56	8.65	-53.23
C(CC1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289234	1	57	0.0	-65.57	425.07	8.51	-57.06
C(CC1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289234	1	57	0.0	-61.93	420.62	8.66	-53.27
C(CC1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289234	1	57	0.0	-65.61	425.13	8.52	-57.09
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CCOC1	REAL300020289235	0	54	0.0	-60.39	397.19	7.78	-52.61
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CCOC1	REAL300020289235	1	54	0.0	-62.25	409.57	7.67	-54.58
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CCOC1	REAL300020289235	1	54	0.0	-60.42	397.25	7.78	-52.64
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CCOC1	REAL300020289235	1	54	0.0	-62.14	409.62	7.69	-54.45
C(CC1=NN=C(N2CCCC2C2CCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289236	0	54	-1.0	-45.23	393.91	6.76	-38.47
C(CC1=NN=C(N2CCCC2C2CCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289236	1	54	-1.0	-45.24	393.96	6.77	-38.47
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCC2)N1CC1CCOC1	REAL300020289237	0	51	-1.0	-49.60	381.89	8.05	-41.55
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2CCC2)N1CC1CCOC1	REAL300020289237	1	51	-1.0	-49.63	381.95	8.08	-41.55
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CC2)C2CCCCC2)N1CC1CCOC1	REAL300020289238	0	57	-1.0	-43.47	418.23	8.26	-35.21
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CC2)C2CCCCC2)N1CC1CCOC1	REAL300020289238	1	57	-1.0	-43.49	418.29	8.27	-35.22
C=CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CC1	REAL300020289239	0	48	-1.0	-40.43	377.31	6.98	-33.45
C=CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CC1	REAL300020289239	1	48	-1.0	-40.43	377.39	6.99	-33.44
C=CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CC1	REAL300020289240	0	45	-1.0	-41.68	361.59	6.87	-34.81
C=CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CC1	REAL300020289240	1	45	-1.0	-41.67	361.54	6.85	-34.82
C=CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1)C1CC1	REAL300020289241	0	52	-1.0	-41.81	417.02	9.64	-32.17
C=CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1)C1CC1	REAL300020289241	1	52	-1.0	-41.80	417.09	9.61	-32.19
COCC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289242	0	57	-1.0	-44.92	418.30	6.29	-38.63
COCC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289242	1	57	-1.0	-44.92	418.36	6.31	-38.61
COCC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289243	0	54	-1.0	-43.79	401.27	5.67	-38.12
COCC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289243	1	54	-1.0	-43.79	401.33	5.69	-38.10
CCC1C(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289244	0	53	-1.0	-41.62	396.89	6.58	-35.04
CCC1C(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289244	1	53	-1.0	-41.64	396.94	6.59	-35.05
CCC1C(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289245	0	50	-1.0	-42.14	375.93	5.32	-36.82
CCC1C(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289245	1	50	-1.0	-42.20	376.00	5.34	-36.86
COCC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289246	0	52	-1.0	-40.40	407.68	6.29	-34.11
COCC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289246	1	52	-1.0	-40.36	407.74	6.30	-34.06
COCC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289247	0	49	-1.0	-44.27	378.46	5.13	-39.14
COCC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289247	1	49	-1.0	-44.29	378.51	5.16	-39.13
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1C	REAL300020289248	0	53	-1.0	-41.49	400.47	7.70	-33.79
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1C	REAL300020289248	1	53	-1.0	-41.45	400.53	7.72	-33.73
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1C	REAL300020289249	0	50	-1.0	-49.22	373.31	7.15	-42.07
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1C	REAL300020289249	1	50	-1.0	-49.23	373.37	7.16	-42.07
CC1=CC(C)=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020289250	0	54	-1.0	-42.70	409.78	8.63	-34.07
CC1=CC(C)=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020289250	1	54	-1.0	-42.72	409.84	8.65	-34.07
CSCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289251	0	50	-1.0	-39.79	402.09	6.97	-32.82
CSCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289251	1	50	-1.0	-39.80	402.14	6.99	-32.81
CSCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289252	0	47	-1.0	-41.37	386.52	6.40	-34.97
CSCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289252	1	47	-1.0	-41.39	386.58	6.43	-34.96
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2=CC=CC=C21	REAL300020289253	0	53	-1.0	-40.69	398.22	6.37	-34.32
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2=CC=CC=C21	REAL300020289253	1	53	-1.0	-40.71	398.15	6.34	-34.37
C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCCC2=C1	REAL300020289254	0	54	-1.0	-44.34	407.61	8.53	-35.81
C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCCC2=C1	REAL300020289254	1	54	-1.0	-44.36	407.66	8.55	-35.81
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCCC2=C1	REAL300020289255	0	51	-1.0	-45.44	389.22	8.90	-36.54
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCCC2=C1	REAL300020289255	1	51	-1.0	-45.42	389.16	8.88	-36.54
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCOC1	REAL300020289256	0	48	-1.0	-40.03	363.23	4.22	-35.81
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCOC1	REAL300020289256	1	48	-1.0	-40.07	363.28	4.23	-35.84
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCOC1	REAL300020289257	0	45	-1.0	-45.01	343.45	3.22	-41.79
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCOC1	REAL300020289257	1	45	-1.0	-44.99	343.50	3.25	-41.74
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1)C1CCOC1	REAL300020289258	0	52	-1.0	-45.68	394.28	6.06	-39.62
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1)C1CCOC1	REAL300020289258	1	52	-1.0	-45.62	394.33	6.04	-39.58
CC(CC#N)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289259	0	47	-1.0	-48.07	366.78	6.53	-41.54
CC(CC#N)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289259	1	47	-1.0	-48.02	366.83	6.54	-41.48
CC(CC#N)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289260	0	44	-1.0	-47.16	350.03	5.92	-41.24
CC(CC#N)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289260	1	44	-1.0	-47.13	350.09	5.95	-41.18
CC(CC#N)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289261	0	51	-1.0	-51.92	407.63	8.22	-43.70
CC(CC#N)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289261	1	51	-1.0	-51.92	407.68	8.22	-43.70
N#CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289262	0	51	-1.0	-41.16	409.07	7.45	-33.71
N#CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289262	1	51	-1.0	-41.10	409.13	7.47	-33.63
N#CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289263	0	48	-1.0	-46.63	381.86	7.07	-39.56
N#CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289263	1	48	-1.0	-46.69	381.91	7.10	-39.59
COCCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289264	0	51	-1.0	-43.72	405.02	4.70	-39.02
COCCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289264	1	51	-1.0	-43.69	405.06	4.72	-38.97
COCCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289265	0	48	-1.0	-43.90	387.99	4.23	-39.67
COCCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289265	1	48	-1.0	-43.88	388.06	4.24	-39.64
CC(C)CCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289266	0	56	-1.0	-41.52	432.54	7.68	-33.84
CC(C)CCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289266	1	56	-1.0	-41.53	432.59	7.69	-33.84
CC(C)CCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289267	0	53	-1.0	-50.88	408.77	6.69	-44.19
CC(C)CCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289267	1	53	-1.0	-50.92	408.74	6.70	-44.22
O=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCN1	REAL300020289268	0	48	-1.0	-45.86	363.30	2.07	-43.79
O=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCN1	REAL300020289268	1	48	-1.0	-45.89	363.37	2.09	-43.80
O=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCN1	REAL300020289269	0	45	-1.0	-43.65	344.25	1.42	-42.23
O=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCN1	REAL300020289269	1	45	-1.0	-43.77	344.28	1.44	-42.33
CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020289270	0	54	-1.0	-43.08	416.25	8.71	-34.37
CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020289270	1	54	-1.0	-43.06	416.30	8.73	-34.33
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020289271	0	51	-1.0	-43.57	389.64	7.95	-35.62
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020289271	1	51	-1.0	-43.57	389.59	7.92	-35.65
CC(C1=CC=CS1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289272	0	50	-1.0	-40.29	402.74	8.09	-32.20
CC(C1=CC=CS1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289272	1	50	-1.0	-40.27	402.79	8.10	-32.17
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289273	0	47	-1.0	-48.86	371.61	6.43	-42.43
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289273	1	47	-1.0	-48.83	371.68	6.43	-42.40
C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289274	0	45	-1.0	-43.07	351.24	5.94	-37.13
C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289274	1	45	-1.0	-43.06	351.29	5.95	-37.11
C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289275	0	42	-1.0	-50.60	323.62	5.22	-45.38
C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289275	1	42	-1.0	-50.62	323.63	5.23	-45.39
C1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)CC1	REAL300020289276	0	49	-1.0	-45.31	383.76	8.00	-37.31
C1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)CC1	REAL300020289276	1	49	-1.0	-45.35	383.81	7.98	-37.37
CCC(CC)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289277	0	58	-1.0	-39.61	418.82	8.26	-31.35
CCC(CC)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289277	1	58	-1.0	-39.62	418.88	8.28	-31.34
CCC(CC)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289278	0	55	-1.0	-41.23	404.00	7.87	-33.36
CCC(CC)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289278	1	55	-1.0	-41.23	404.06	7.90	-33.33
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CC1	REAL300020289279	0	56	-1.0	-39.08	415.87	8.16	-30.92
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CC1	REAL300020289279	1	56	-1.0	-39.11	415.93	8.17	-30.94
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CC1	REAL300020289280	0	53	-1.0	-41.93	411.02	8.15	-33.78
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CC1	REAL300020289280	1	53	-1.0	-41.92	411.08	8.18	-33.74
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289281	0	54	-1.0	-41.71	426.58	9.50	-32.21
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289281	1	54	-1.0	-41.71	426.64	9.52	-32.19
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289282	0	51	-1.0	-42.27	410.56	8.37	-33.90
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289282	1	51	-1.0	-42.29	410.51	8.35	-33.94
COCCN(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289283	0	51	-1.0	-48.23	403.76	5.92	-42.31
COCCN(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289283	1	51	-1.0	-48.23	403.82	5.95	-42.28
COCCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289284	0	56	-1.0	-43.15	418.44	5.55	-37.60
COCCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289284	1	56	-1.0	-43.13	418.49	5.57	-37.56
COCCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289285	0	53	-1.0	-43.81	402.94	5.35	-38.46
COCCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289285	1	53	-1.0	-43.77	403.01	5.37	-38.40
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCCC1	REAL300020289286	0	59	-1.0	-43.28	432.63	8.34	-34.94
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCCC1	REAL300020289286	1	59	-1.0	-43.27	432.69	8.35	-34.92
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCCC1	REAL300020289287	0	56	-1.0	-52.27	401.56	6.26	-46.01
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCCC1	REAL300020289287	1	56	-1.0	-52.27	401.61	6.28	-45.99
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289288	0	56	-1.0	-51.17	429.87	9.23	-41.94
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289288	1	56	-1.0	-51.15	430.04	9.23	-41.92
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCCC1	REAL300020289289	0	59	-1.0	-42.44	435.23	8.22	-34.22
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCCC1	REAL300020289289	1	59	-1.0	-42.44	435.29	8.24	-34.20
CCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289290	0	50	-1.0	-51.87	395.76	6.90	-44.97
CCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289290	1	50	-1.0	-51.85	395.80	6.91	-44.94
CC1COCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289291	0	48	-1.0	-45.52	368.97	3.54	-41.98
CC1COCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289291	1	48	-1.0	-45.54	369.05	3.55	-41.99
CC1COCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289292	0	45	-1.0	-45.55	350.71	2.97	-42.58
CC1COCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289292	1	45	-1.0	-45.57	350.76	3.01	-42.56
CC1COCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289293	0	52	-1.0	-46.55	404.33	5.93	-40.62
CC1COCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289293	1	52	-1.0	-46.56	404.41	5.91	-40.65
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C(C)C	REAL300020289294	0	55	-1.0	-40.82	397.51	6.41	-34.41
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C(C)C	REAL300020289294	1	55	-1.0	-40.84	397.57	6.42	-34.42
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C(C)C	REAL300020289295	0	52	-1.0	-43.12	382.72	5.82	-37.30
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C(C)C	REAL300020289295	1	52	-1.0	-43.14	382.78	5.85	-37.29
CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289296	0	52	-1.0	-39.66	395.08	6.94	-32.72
CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289296	1	52	-1.0	-39.71	395.13	6.96	-32.75
CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289297	0	49	-1.0	-41.50	375.77	6.01	-35.49
CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289297	1	49	-1.0	-41.50	375.83	6.04	-35.46
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289298	0	56	-1.0	-42.34	433.70	9.64	-32.70
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289298	1	56	-1.0	-42.27	433.76	9.64	-32.63
CCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289299	0	52	-1.0	-40.50	387.91	7.64	-32.86
CCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289299	1	52	-1.0	-40.46	387.96	7.65	-32.81
CCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289300	0	49	-1.0	-41.17	370.71	7.07	-34.10
CCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289300	1	49	-1.0	-41.17	370.77	7.09	-34.08
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289301	0	56	-1.0	-45.32	429.28	9.42	-35.90
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289301	1	56	-1.0	-45.28	429.32	9.41	-35.87
OC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020289302	0	52	-1.0	-45.66	404.79	5.08	-40.58
OC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020289302	1	52	-1.0	-45.65	404.85	5.10	-40.55
OC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020289303	0	49	-1.0	-44.78	382.28	4.63	-40.15
OC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020289303	1	49	-1.0	-44.73	382.22	4.60	-40.13
CN(CC1=CC=CC=C1O)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289304	0	51	-1.0	-40.59	400.14	5.40	-35.19
CN(CC1=CC=CC=C1O)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289304	1	51	-1.0	-40.67	400.20	5.42	-35.25
CN(CC1=CC=CC=C1O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289305	0	48	-1.0	-50.27	376.83	4.45	-45.82
CN(CC1=CC=CC=C1O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289305	1	48	-1.0	-50.29	376.88	4.45	-45.84
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289306	0	56	-1.0	-41.20	438.22	9.11	-32.09
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289306	1	56	-1.0	-41.22	438.27	9.13	-32.09
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289307	0	53	-1.0	-43.48	414.60	8.30	-35.18
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289307	1	53	-1.0	-43.51	414.66	8.32	-35.19
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289308	0	54	-1.0	-50.35	414.63	6.39	-43.96
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289308	1	54	-1.0	-50.34	414.63	6.38	-43.96
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CCCCC2)C2CC2)N1CC1CCOC1	REAL300020289309	0	57	-1.0	-40.84	420.08	8.74	-32.10
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CCCCC2)C2CC2)N1CC1CCOC1	REAL300020289309	1	57	-1.0	-40.82	420.14	8.77	-32.05
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289310	0	59	0.0	-66.11	428.79	7.56	-58.55
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289310	1	59	0.0	-66.13	428.85	7.59	-58.54
FC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020289311	0	51	-1.0	-41.22	396.32	7.99	-33.23
FC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020289311	1	51	-1.0	-41.28	396.38	8.01	-33.27
COCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289312	0	57	-1.0	-44.40	437.42	3.71	-40.69
COCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289312	1	57	-1.0	-44.41	437.48	3.72	-40.69
COCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289313	0	54	-1.0	-51.28	412.39	3.32	-47.96
COCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289313	1	54	-1.0	-51.37	412.37	3.30	-48.07
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289314	0	59	-1.0	-52.31	408.85	7.87	-44.44
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289314	1	59	-1.0	-52.32	408.94	7.89	-44.43
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289315	0	54	-1.0	-42.10	393.51	4.33	-37.77
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289315	1	54	-1.0	-42.14	393.56	4.35	-37.79
C[C@H]1COC(C)(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289316	0	51	-1.0	-43.69	371.93	3.51	-40.18
C[C@H]1COC(C)(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289316	1	51	-1.0	-43.70	371.99	3.54	-40.16
C=CCC1N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCCC1(C)C	REAL300020289317	0	57	-1.0	-45.48	411.45	8.48	-37.00
C=CCC1N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCCC1(C)C	REAL300020289317	1	57	-1.0	-45.48	411.51	8.49	-36.99
CC1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289318	0	48	-1.0	-43.97	369.57	6.45	-37.52
CC1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289318	1	48	-1.0	-43.92	369.63	6.46	-37.46
CC1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289319	0	45	-1.0	-50.23	344.13	5.88	-44.35
CC1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289319	1	45	-1.0	-50.22	344.15	5.89	-44.33
CC1=CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020289320	0	52	-1.0	-45.01	404.77	8.61	-36.40
CC1=CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020289320	1	52	-1.0	-45.03	404.84	8.61	-36.42
BrC1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289321	0	42	-1.0	-41.73	346.11	6.08	-35.65
BrC1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289321	1	42	-1.0	-41.69	346.16	6.11	-35.58
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289322	0	57	-1.0	-41.04	417.59	6.71	-34.33
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289322	1	57	-1.0	-41.06	417.65	6.73	-34.33
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289323	0	54	-1.0	-45.58	395.59	6.23	-39.35
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289323	1	54	-1.0	-45.58	395.66	6.24	-39.34
C(CC1=NN=C(N(CC2CC2)CC2CCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289324	0	57	-1.0	-44.17	426.82	8.03	-36.14
C(CC1=NN=C(N(CC2CC2)CC2CCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289324	1	57	-1.0	-44.18	426.88	8.04	-36.14
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CC2)CC2CCC2)N1CC1CCOC1	REAL300020289325	0	54	-1.0	-46.19	404.32	7.24	-38.95
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CC2)CC2CCC2)N1CC1CCOC1	REAL300020289325	1	54	-1.0	-46.19	404.38	7.26	-38.93
FC(F)O[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289326	0	48	-1.0	-44.20	384.55	5.06	-39.14
FC(F)O[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289326	1	48	-1.0	-44.21	384.61	5.07	-39.14
FC(F)O[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289327	0	45	-1.0	-44.15	367.84	4.38	-39.77
FC(F)O[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289327	1	45	-1.0	-44.12	367.91	4.41	-39.71
C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020289328	0	51	-1.0	-43.14	397.69	8.14	-35.00
C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020289328	1	51	-1.0	-43.17	397.75	8.16	-35.01
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020289329	0	48	-1.0	-42.05	371.47	7.52	-34.53
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020289329	1	48	-1.0	-42.05	371.40	7.50	-34.55
CC12CC(CC(C)(C)C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020289330	0	57	-1.0	-47.57	406.81	8.36	-39.21
CC12CC(CC(C)(C)C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020289330	1	57	-1.0	-47.61	406.87	8.37	-39.24
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCS(=O)(=O)C1	REAL300020289331	0	50	-1.0	-55.31	390.57	2.56	-52.75
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCS(=O)(=O)C1	REAL300020289331	1	50	-1.0	-55.30	390.63	2.58	-52.72
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCS(=O)(=O)C1	REAL300020289332	0	47	-1.0	-50.64	369.60	2.41	-48.23
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCS(=O)(=O)C1	REAL300020289332	1	47	-1.0	-50.63	369.66	2.42	-48.21
CCCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289333	0	52	-1.0	-43.78	394.80	6.27	-37.51
CCCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289333	1	52	-1.0	-43.82	394.86	6.28	-37.54
CCCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289334	0	49	-1.0	-42.49	376.19	6.04	-36.45
CCCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289334	1	49	-1.0	-42.51	376.24	6.07	-36.44
CCCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289335	0	56	-1.0	-44.98	425.12	8.35	-36.63
CCCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289335	1	56	-1.0	-44.91	425.15	8.33	-36.58
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289336	0	48	-1.0	-41.58	381.65	7.31	-34.27
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289336	1	48	-1.0	-41.58	381.71	7.32	-34.26
C=CCN(CC=C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289337	0	45	-1.0	-40.51	365.38	6.71	-33.80
C=CCN(CC=C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289337	1	45	-1.0	-40.54	365.33	6.68	-33.86
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289338	0	52	-1.0	-45.28	420.29	8.56	-36.72
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289338	1	52	-1.0	-45.19	420.35	8.56	-36.63
COCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289339	0	54	-1.0	-41.80	422.51	4.18	-37.62
COCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289339	1	54	-1.0	-41.78	422.57	4.20	-37.58
COCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289340	0	51	-1.0	-42.37	405.14	2.93	-39.44
COCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289340	1	51	-1.0	-42.39	405.19	2.95	-39.44
OCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289341	0	54	-1.0	-44.70	420.17	4.39	-40.31
OCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289341	1	54	-1.0	-44.68	420.22	4.40	-40.28
OCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289342	0	51	-1.0	-43.65	400.49	4.34	-39.31
OCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289342	1	51	-1.0	-43.66	400.43	4.31	-39.35
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCCCC1	REAL300020289343	0	56	-1.0	-41.05	407.65	7.58	-33.47
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCCCC1	REAL300020289343	1	56	-1.0	-41.10	407.70	7.60	-33.50
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCCCC1	REAL300020289344	0	53	-1.0	-42.54	391.91	6.86	-35.68
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCCCC1	REAL300020289344	1	53	-1.0	-42.53	391.96	6.89	-35.64
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289345	0	53	-1.0	-40.02	422.78	8.22	-31.80
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289345	1	53	-1.0	-40.09	422.83	8.24	-31.85
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289346	0	50	-1.0	-41.75	397.72	7.74	-34.01
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289346	1	50	-1.0	-41.72	397.66	7.72	-34.00
C(CC1=NN=C(N2CCCCCCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289347	0	53	-1.0	-44.42	379.21	7.94	-36.48
C(CC1=NN=C(N2CCCCCCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289347	1	53	-1.0	-44.42	379.26	7.95	-36.47
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCC2)N1CC1CCOC1	REAL300020289348	0	50	-1.0	-43.58	366.97	7.20	-36.38
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCC2)N1CC1CCOC1	REAL300020289348	1	50	-1.0	-43.57	367.03	7.22	-36.35
CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289349	0	52	-1.0	-39.68	399.80	6.87	-32.81
CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289349	1	52	-1.0	-39.73	399.86	6.88	-32.85
CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289350	0	49	-1.0	-41.75	383.40	6.38	-35.37
CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289350	1	49	-1.0	-41.76	383.45	6.41	-35.35
CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289351	0	56	-1.0	-42.48	435.45	9.54	-32.94
CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289351	1	56	-1.0	-42.46	435.50	9.53	-32.93
CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289352	0	53	-1.0	-39.96	409.72	7.74	-32.22
CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289352	1	53	-1.0	-39.96	409.77	7.75	-32.21
CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289353	0	50	-1.0	-44.12	389.28	7.15	-36.97
CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289353	1	50	-1.0	-44.17	389.34	7.17	-37.00
C=C(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289354	0	50	-1.0	-39.65	387.96	6.37	-33.28
C=C(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289354	1	50	-1.0	-39.65	388.02	6.39	-33.26
C=C(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289355	0	47	-1.0	-41.67	372.18	5.95	-35.72
C=C(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289355	1	47	-1.0	-41.70	372.12	5.92	-35.78
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289356	0	54	-1.0	-42.55	424.07	9.09	-33.46
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289356	1	54	-1.0	-42.49	424.13	9.07	-33.42
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289357	0	54	-1.0	-43.97	422.67	6.73	-37.24
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289357	1	54	-1.0	-43.93	422.73	6.75	-37.18
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289358	0	48	-1.0	-50.98	391.55	6.84	-44.14
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289358	1	48	-1.0	-50.84	391.53	6.85	-43.99
CC1=CC=C(CC(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289359	0	56	-1.0	-42.04	426.88	10.04	-32.00
CC1=CC=C(CC(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289359	1	56	-1.0	-42.06	426.93	10.07	-31.99
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289360	0	52	-1.0	-53.65	419.96	2.48	-51.17
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289360	1	52	-1.0	-53.68	420.02	2.49	-51.19
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289361	0	49	-1.0	-54.33	404.04	2.38	-51.95
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289361	1	49	-1.0	-54.34	404.09	2.40	-51.94
CS(=O)(=O)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CC1	REAL300020289362	0	50	-1.0	-55.85	414.09	3.64	-52.21
CS(=O)(=O)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CC1	REAL300020289362	1	50	-1.0	-55.88	414.14	3.64	-52.24
CCN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289363	0	53	-1.0	-43.84	404.93	7.09	-36.75
CCN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289363	1	53	-1.0	-43.85	404.99	7.10	-36.75
CCN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289364	0	50	-1.0	-42.04	386.31	6.84	-35.20
CCN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289364	1	50	-1.0	-42.02	386.37	6.87	-35.15
C1=NN(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)C=N1	REAL300020289365	0	53	-1.0	-52.03	416.62	8.56	-43.47
C1=NN(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)C=N1	REAL300020289365	1	53	-1.0	-52.01	416.57	8.54	-43.47
CSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289366	0	53	-1.0	-39.98	410.91	8.13	-31.85
CSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289366	1	53	-1.0	-40.02	410.98	8.14	-31.88
CSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289367	0	50	-1.0	-40.73	393.94	7.52	-33.21
CSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289367	1	50	-1.0	-40.75	394.01	7.55	-33.20
CN(CC1=NOC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289368	0	46	-1.0	-43.72	372.96	5.36	-38.36
CN(CC1=NOC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289368	1	46	-1.0	-43.76	373.01	5.38	-38.38
CN(CC1=NOC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289369	0	43	-1.0	-54.28	347.54	4.34	-49.94
CN(CC1=NOC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289369	1	43	-1.0	-54.34	347.47	4.33	-50.01
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020289370	0	59	0.0	-75.97	419.57	6.16	-69.81
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020289370	1	59	0.0	-60.98	426.01	7.84	-53.14
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020289370	1	59	0.0	-75.96	419.63	6.17	-69.79
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020289370	1	59	0.0	-60.95	426.07	7.86	-53.09
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020289371	0	56	0.0	-65.09	404.43	7.22	-57.87
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020289371	1	56	0.0	-65.51	397.46	7.77	-57.74
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020289371	1	56	0.0	-65.13	404.50	7.23	-57.90
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020289371	1	56	0.0	-65.57	397.52	7.80	-57.77
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CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1(C)C	REAL300020289373	0	57	-1.0	-46.90	427.47	7.65	-39.25
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1(C)C	REAL300020289373	1	57	-1.0	-46.93	427.54	7.66	-39.27
CC1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289374	0	50	-1.0	-44.48	371.38	5.88	-38.60
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CC1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289375	0	47	-1.0	-43.08	364.06	6.54	-36.54
CC1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289375	1	47	-1.0	-43.03	364.12	6.56	-36.47
CC1CC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020289376	0	54	-1.0	-43.85	413.23	9.26	-34.59
CC1CC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020289376	1	54	-1.0	-43.81	413.26	9.25	-34.56
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C1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C2CC2)C=C1	REAL300020289377	1	54	-1.0	-44.52	423.56	8.99	-35.53
C1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C2CC2)C=C1	REAL300020289378	0	51	-1.0	-50.71	402.50	8.44	-42.27
C1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C2CC2)C=C1	REAL300020289378	1	51	-1.0	-50.73	402.46	8.42	-42.31
FC(F)(F)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289379	0	48	-1.0	-39.15	393.62	7.35	-31.80
FC(F)(F)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289379	1	48	-1.0	-39.13	393.67	7.36	-31.77
FC(F)(F)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289380	0	45	-1.0	-49.78	361.83	6.21	-43.57
FC(F)(F)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289380	1	45	-1.0	-49.78	361.84	6.23	-43.55
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289381	0	51	-1.0	-48.62	382.26	4.07	-44.55
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289381	1	51	-1.0	-48.64	382.32	4.08	-44.56
CC1CN(C)C(=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289382	0	48	-1.0	-50.91	364.15	3.35	-47.56
CC1CN(C)C(=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289382	1	48	-1.0	-50.93	364.20	3.38	-47.55
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC21CC1	REAL300020289383	0	52	-1.0	-50.30	400.09	8.66	-41.64
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC21CC1	REAL300020289383	1	52	-1.0	-50.33	399.87	8.66	-41.67
C(CC1=NN=C(N(CC2CC2)C2CCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289384	0	54	-1.0	-39.46	411.21	7.96	-31.50
C(CC1=NN=C(N(CC2CC2)C2CCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289384	1	54	-1.0	-39.45	411.27	7.98	-31.47
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CC2)C2CCC2)N1CC1CCOC1	REAL300020289385	0	51	-1.0	-44.66	388.88	8.03	-36.63
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CC2)C2CCC2)N1CC1CCOC1	REAL300020289385	1	51	-1.0	-44.69	388.94	8.04	-36.65
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289386	0	51	-1.0	-41.95	399.11	5.88	-36.07
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289386	1	51	-1.0	-41.92	399.16	5.89	-36.03
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289387	0	48	-1.0	-42.32	381.77	4.59	-37.73
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289387	1	48	-1.0	-42.36	381.83	4.62	-37.74
CCCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289388	0	59	-1.0	-41.74	429.87	8.75	-32.99
CCCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289388	1	59	-1.0	-41.71	429.93	8.77	-32.94
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289389	0	55	-1.0	-39.62	412.80	7.51	-32.11
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289389	1	55	-1.0	-39.64	412.86	7.52	-32.12
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289390	0	52	-1.0	-41.46	396.35	7.07	-34.39
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289390	1	52	-1.0	-41.45	396.41	7.10	-34.35
CC(C)CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289391	0	59	-1.0	-42.19	442.24	7.80	-34.39
CC(C)CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289391	1	59	-1.0	-42.19	442.30	7.81	-34.38
CC(C)CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289392	0	56	-1.0	-51.89	411.76	6.83	-45.06
CC(C)CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289392	1	56	-1.0	-51.87	411.09	6.80	-45.07
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCCC2=C1C=NN2C	REAL300020289393	0	54	-1.0	-51.92	401.22	6.25	-45.67
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCCC2=C1C=NN2C	REAL300020289393	1	54	-1.0	-51.93	401.25	6.26	-45.67
CCN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289394	0	54	-1.0	-41.25	406.50	6.16	-35.09
CCN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289394	1	54	-1.0	-41.23	406.55	6.16	-35.07
CCN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289395	0	51	-1.0	-46.12	384.99	5.67	-40.45
CCN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289395	1	51	-1.0	-46.19	385.04	5.69	-40.50
C(CC1=NN=C(N2CC3CCC2C3)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289396	0	48	-1.0	-43.43	360.25	5.90	-37.53
C(CC1=NN=C(N2CC3CCC2C3)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289396	1	48	-1.0	-43.49	360.31	5.91	-37.58
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC2C3)N1CC1CCOC1	REAL300020289397	0	45	-1.0	-42.45	336.84	5.49	-36.96
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC2C3)N1CC1CCOC1	REAL300020289397	1	45	-1.0	-42.44	336.90	5.52	-36.92
C1=CC(C2=NN=C(N3CC4CCC3C4)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020289398	0	52	-1.0	-45.45	391.74	7.75	-37.70
C1=CC(C2=NN=C(N3CC4CCC3C4)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020289398	1	52	-1.0	-45.50	391.83	7.76	-37.74
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CC2=CC=CC=C2C1	REAL300020289399	0	54	-1.0	-44.79	412.41	8.67	-36.12
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CC2=CC=CC=C2C1	REAL300020289399	1	54	-1.0	-44.81	412.47	8.69	-36.12
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CC2=CC=CC=C2C1	REAL300020289400	0	51	-1.0	-50.16	395.44	8.97	-41.19
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CC2=CC=CC=C2C1	REAL300020289400	1	51	-1.0	-50.20	395.50	8.98	-41.22
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289401	0	51	-1.0	-44.41	415.74	8.71	-35.70
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289401	1	51	-1.0	-44.39	415.68	8.68	-35.71
CCCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289402	0	59	-1.0	-45.71	433.63	9.84	-35.87
CCCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289402	1	59	-1.0	-45.76	433.68	9.86	-35.90
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289403	0	53	-1.0	-43.15	428.44	6.10	-37.05
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289403	1	53	-1.0	-43.11	428.38	6.08	-37.03
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289404	0	50	-1.0	-46.66	393.30	4.71	-41.95
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289404	1	50	-1.0	-46.63	393.24	4.67	-41.96
C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020289405	0	48	-1.0	-43.21	382.65	7.43	-35.78
C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020289405	1	48	-1.0	-43.23	382.71	7.44	-35.79
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020289406	0	45	-1.0	-43.54	364.43	6.77	-36.77
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020289406	1	45	-1.0	-43.53	364.38	6.74	-36.79
C1=CC2=C(CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)S1	REAL300020289407	0	48	-1.0	-42.94	389.98	7.14	-35.80
C1=CC2=C(CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)S1	REAL300020289407	1	48	-1.0	-42.93	390.04	7.16	-35.77
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289408	0	54	-1.0	-44.85	416.95	5.80	-39.05
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289408	1	54	-1.0	-44.87	417.01	5.81	-39.06
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289409	0	51	-1.0	-46.11	398.92	5.07	-41.04
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289409	1	51	-1.0	-46.08	398.87	5.05	-41.03
CCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289410	0	57	-1.0	-49.58	427.23	6.89	-42.69
CCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289410	1	57	-1.0	-49.55	427.41	6.91	-42.64
CCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289411	0	56	-1.0	-44.25	425.25	5.42	-38.83
CCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289411	1	56	-1.0	-44.21	425.31	5.43	-38.78
CCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289412	0	53	-1.0	-51.61	400.22	5.03	-46.58
CCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289412	1	53	-1.0	-51.64	400.19	5.01	-46.63
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289413	0	51	-1.0	-45.30	390.94	4.04	-41.26
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289413	1	51	-1.0	-45.30	391.00	4.05	-41.25
CC1C(=O)N(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289414	0	48	-1.0	-47.73	367.43	3.12	-44.61
CC1C(=O)N(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289414	1	48	-1.0	-47.83	367.50	3.14	-44.69
CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289415	0	50	-1.0	-44.32	365.64	5.10	-39.22
CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289415	1	50	-1.0	-44.33	365.70	5.12	-39.21
CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289416	0	47	-1.0	-42.27	362.41	5.31	-36.96
CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289416	1	47	-1.0	-42.28	362.46	5.33	-36.95
CCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289417	0	54	-1.0	-47.00	395.77	6.82	-40.18
CCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289417	1	54	-1.0	-46.97	395.81	6.81	-40.16
CCSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289418	0	54	-1.0	-46.86	412.57	8.44	-38.42
CCSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289418	1	54	-1.0	-46.92	412.64	8.46	-38.46
C=CCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289419	0	57	-1.0	-44.17	431.66	8.73	-35.44
C=CCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289419	1	57	-1.0	-44.15	431.71	8.77	-35.38
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289420	0	50	-1.0	-43.46	380.41	6.69	-36.77
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289420	1	50	-1.0	-43.49	380.46	6.71	-36.78
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289421	0	47	-1.0	-46.51	361.07	6.55	-39.96
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289421	1	47	-1.0	-46.50	361.12	6.57	-39.93
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289422	0	54	-1.0	-41.73	420.50	9.57	-32.16
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289422	1	54	-1.0	-41.70	420.72	9.56	-32.14
OCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CC1	REAL300020289423	0	54	-1.0	-41.68	409.72	4.31	-37.37
OCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CC1	REAL300020289423	1	54	-1.0	-41.69	409.78	4.32	-37.37
OCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CC1	REAL300020289424	0	51	-1.0	-44.75	404.87	4.29	-40.46
OCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CC1	REAL300020289424	1	51	-1.0	-44.76	404.93	4.33	-40.43
FC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020289425	0	51	-1.0	-43.67	400.19	8.01	-35.66
FC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020289425	1	51	-1.0	-43.66	400.25	8.02	-35.64
FC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020289426	0	48	-1.0	-42.46	377.61	7.53	-34.93
FC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020289426	1	48	-1.0	-42.52	377.67	7.55	-34.97
CC(CS(C)(=O)=O)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289427	0	52	-1.0	-53.75	402.97	4.18	-49.57
CC(CS(C)(=O)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289427	1	52	-1.0	-53.76	403.03	4.20	-49.56
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289428	0	49	-1.0	-52.99	385.82	3.58	-49.41
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289428	1	49	-1.0	-52.99	385.88	3.59	-49.40
C1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020289429	0	54	-1.0	-41.74	405.77	8.74	-33.00
C1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020289429	1	54	-1.0	-41.75	405.82	8.75	-33.00
C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020289430	0	51	-1.0	-42.17	383.22	7.95	-34.22
C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020289430	1	51	-1.0	-42.17	383.29	7.98	-34.19
OCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289431	0	54	-1.0	-53.09	416.37	4.88	-48.21
OCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289431	1	54	-1.0	-53.09	416.36	4.86	-48.23
CC1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289432	0	48	-1.0	-39.23	378.87	5.36	-33.87
CC1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289432	1	48	-1.0	-39.25	378.93	5.37	-33.88
CC1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289433	0	45	-1.0	-43.14	356.52	4.86	-38.28
CC1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289433	1	45	-1.0	-43.12	356.56	4.88	-38.24
OC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289434	0	52	-1.0	-53.20	390.25	4.46	-48.74
OC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289434	1	52	-1.0	-53.16	390.33	4.46	-48.70
C(CC1=NN=C(N2CCCC3CCCC32)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289435	0	54	-1.0	-40.33	408.28	8.25	-32.08
C(CC1=NN=C(N2CCCC3CCCC32)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289435	1	54	-1.0	-40.38	408.34	8.26	-32.12
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3CCCC32)N1CC1CCOC1	REAL300020289436	0	51	-1.0	-45.02	384.61	6.66	-38.36
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3CCCC32)N1CC1CCOC1	REAL300020289436	1	51	-1.0	-44.98	384.67	6.69	-38.29
C#CCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289437	0	45	-1.0	-42.70	363.84	5.83	-36.87
C#CCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289437	1	45	-1.0	-42.71	363.89	5.85	-36.86
C#CCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289438	0	42	-1.0	-49.23	339.99	5.03	-44.20
C#CCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289438	1	42	-1.0	-49.11	339.95	5.02	-44.09
C#CCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289439	0	49	-1.0	-42.18	396.05	8.83	-33.35
C#CCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289439	1	49	-1.0	-42.17	395.93	8.83	-33.34
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289440	0	54	-1.0	-42.28	433.08	9.81	-32.47
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289440	1	54	-1.0	-42.28	433.14	9.84	-32.44
CCOCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289441	0	53	-1.0	-40.77	411.30	5.41	-35.36
CCOCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289441	1	53	-1.0	-40.79	411.35	5.43	-35.36
CCOCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289442	0	50	-1.0	-42.76	394.48	4.95	-37.81
CCOCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289442	1	50	-1.0	-42.80	394.53	4.98	-37.82
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020289443	0	52	-1.0	-44.21	400.72	6.76	-37.45
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020289443	1	52	-1.0	-44.23	400.79	6.78	-37.45
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289444	0	49	-1.0	-49.67	398.90	7.78	-41.89
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289444	1	49	-1.0	-49.73	398.92	7.81	-41.92
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCCC1	REAL300020289445	0	53	-1.0	-40.60	387.35	7.11	-33.49
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCCC1	REAL300020289445	1	53	-1.0	-40.59	387.40	7.12	-33.47
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCCC1	REAL300020289446	0	50	-1.0	-42.51	370.95	6.41	-36.10
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCCC1	REAL300020289446	1	50	-1.0	-42.49	371.00	6.43	-36.06
CC(C)NC(=O)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289447	0	53	-1.0	-41.11	415.71	4.35	-36.76
CC(C)NC(=O)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289447	1	53	-1.0	-41.15	415.77	4.37	-36.78
CC(C)NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289448	0	50	-1.0	-44.01	400.19	3.79	-40.22
CC(C)NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289448	1	50	-1.0	-44.05	400.24	3.81	-40.24
FC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C2CC2)C=C1	REAL300020289449	0	51	-1.0	-51.84	406.37	8.50	-43.34
FC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C2CC2)C=C1	REAL300020289449	1	51	-1.0	-51.92	406.43	8.51	-43.41
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289450	0	50	-1.0	-49.83	395.60	7.52	-42.31
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289450	1	50	-1.0	-49.83	395.56	7.52	-42.31
CC(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289451	0	54	-1.0	-47.52	396.58	5.41	-42.11
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C1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289453	1	54	-1.0	-44.40	420.65	9.21	-35.19
C1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289454	0	51	-1.0	-54.11	394.50	8.95	-45.16
C1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289454	1	51	-1.0	-54.07	394.46	8.95	-45.12
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C1=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)S1	REAL300020289456	0	45	-1.0	-41.60	363.13	6.84	-34.76
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C1=CC=C(CC2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289457	0	54	-1.0	-53.59	402.78	8.22	-45.37
C1=CC=C(CC2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289457	1	54	-1.0	-53.59	402.86	8.22	-45.37
C(CC1=NN=C(N2CCC(C3CC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289458	0	51	-1.0	-43.93	391.06	7.31	-36.62
C(CC1=NN=C(N2CCC(C3CC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289458	1	51	-1.0	-43.92	391.12	7.33	-36.59
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CC3)C2)N1CC1CCOC1	REAL300020289459	0	48	-1.0	-48.18	373.80	7.29	-40.89
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CC3)C2)N1CC1CCOC1	REAL300020289459	1	48	-1.0	-48.22	373.85	7.31	-40.91
C(CC1=NN=C(N2CCC(C3CCOC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289460	0	55	-1.0	-42.97	418.02	6.53	-36.44
C(CC1=NN=C(N2CCC(C3CCOC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289460	1	55	-1.0	-42.95	418.08	6.54	-36.41
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCOC3)C2)N1CC1CCOC1	REAL300020289461	0	52	-1.0	-48.70	392.63	5.73	-42.97
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCOC3)C2)N1CC1CCOC1	REAL300020289461	1	52	-1.0	-48.71	392.68	5.75	-42.96
CCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289462	0	53	-1.0	-43.72	394.33	6.90	-36.82
CCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289462	1	53	-1.0	-43.71	394.39	6.93	-36.78
CCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289463	0	50	-1.0	-42.25	378.00	6.72	-35.53
CCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289463	1	50	-1.0	-42.26	378.06	6.74	-35.52
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCOCC3)C2)N1CC1CCOC1	REAL300020289464	0	55	-1.0	-45.52	411.74	5.90	-39.62
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCOCC3)C2)N1CC1CCOC1	REAL300020289464	1	55	-1.0	-45.51	411.80	5.92	-39.59
CCC1=CN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)S1	REAL300020289465	0	49	-1.0	-42.96	405.83	6.43	-36.53
CCC1=CN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)S1	REAL300020289465	1	49	-1.0	-43.04	405.89	6.45	-36.59
NC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289466	0	54	-1.0	-43.37	419.60	3.76	-39.61
NC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289466	1	54	-1.0	-43.40	419.65	3.77	-39.63
NC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289467	0	51	-1.0	-47.53	396.88	2.49	-45.04
NC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289467	1	51	-1.0	-47.58	396.94	2.52	-45.06
CC(C)C1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=N1	REAL300020289468	0	54	-1.0	-49.48	422.32	6.17	-43.31
CC(C)C1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=N1	REAL300020289468	1	54	-1.0	-49.50	422.37	6.17	-43.33
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(C)O1	REAL300020289469	0	55	-1.0	-43.32	423.26	4.74	-38.58
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(C)O1	REAL300020289469	1	55	-1.0	-43.31	423.31	4.76	-38.55
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(C)O1	REAL300020289470	0	52	-1.0	-43.56	401.74	3.96	-39.60
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(C)O1	REAL300020289470	1	52	-1.0	-43.61	401.80	3.98	-39.63
CN(CCC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289471	0	51	-1.0	-45.21	407.53	5.05	-40.16
CN(CCC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289471	1	51	-1.0	-45.21	407.59	5.06	-40.15
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CN(CCC1=CN=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289472	1	48	-1.0	-45.89	390.69	4.55	-41.34
CC1(C(N)=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289473	0	51	-1.0	-55.89	394.56	2.57	-53.32
CC1(C(N)=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289473	1	51	-1.0	-55.90	394.62	2.59	-53.31
CC1(C(N)=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289474	0	48	-1.0	-62.15	368.50	1.93	-60.22
CC1(C(N)=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289474	1	48	-1.0	-62.14	368.54	1.93	-60.21
COC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289475	0	53	-1.0	-46.03	416.20	7.08	-38.95
COC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289475	1	53	-1.0	-46.03	416.26	7.10	-38.93
COC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289476	0	50	-1.0	-57.11	386.67	5.96	-51.15
COC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289476	1	50	-1.0	-57.16	386.71	5.96	-51.20
COCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289477	0	57	-1.0	-41.25	436.53	6.65	-34.60
COCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289477	1	57	-1.0	-41.27	436.59	6.66	-34.61
COCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289478	0	54	-1.0	-42.01	409.59	6.04	-35.97
COCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289478	1	54	-1.0	-42.00	409.65	6.05	-35.95
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(C2CC2)O1	REAL300020289479	0	55	-1.0	-43.58	424.74	6.90	-36.68
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(C2CC2)O1	REAL300020289479	1	55	-1.0	-43.57	424.79	6.91	-36.66
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(C2CC2)O1	REAL300020289480	0	52	-1.0	-50.65	399.87	6.37	-44.28
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(C2CC2)O1	REAL300020289480	1	52	-1.0	-50.63	399.83	6.39	-44.24
CC1=CC=C(F)C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020289481	0	50	-1.0	-52.86	400.20	7.76	-45.10
CC1=CC=C(F)C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020289481	1	50	-1.0	-52.93	400.14	7.76	-45.17
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C[C@H](C)O1	REAL300020289482	0	51	-1.0	-43.27	393.67	5.33	-37.94
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C[C@H](C)O1	REAL300020289482	1	51	-1.0	-43.27	393.73	5.35	-37.92
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@H](C)O1	REAL300020289483	0	48	-1.0	-43.02	370.65	4.52	-38.50
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@H](C)O1	REAL300020289483	1	48	-1.0	-43.05	370.72	4.53	-38.52
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289484	0	53	-1.0	-47.94	424.59	7.45	-40.49
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289484	1	53	-1.0	-47.96	424.68	7.47	-40.49
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(C)(C)O1	REAL300020289485	0	54	-1.0	-42.87	399.00	5.39	-37.48
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(C)(C)O1	REAL300020289485	1	54	-1.0	-42.84	399.06	5.41	-37.43
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(C)(C)O1	REAL300020289486	0	51	-1.0	-48.85	368.32	4.64	-44.21
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(C)(C)O1	REAL300020289486	1	51	-1.0	-48.83	368.38	4.64	-44.19
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289487	0	53	-1.0	-43.34	413.65	8.42	-34.92
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289487	1	53	-1.0	-43.38	413.72	8.43	-34.95
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289488	0	50	-1.0	-49.87	392.29	7.77	-42.10
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289488	1	50	-1.0	-49.85	392.33	7.77	-42.08
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(C)O1	REAL300020289489	0	54	-1.0	-44.09	407.95	6.23	-37.86
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(C)O1	REAL300020289489	1	54	-1.0	-44.07	408.00	6.25	-37.82
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(C)O1	REAL300020289490	0	51	-1.0	-46.59	397.14	5.96	-40.63
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(C)O1	REAL300020289490	1	51	-1.0	-46.61	397.20	5.99	-40.62
CN(CCC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289491	0	46	-1.0	-41.33	375.49	6.12	-35.21
CN(CCC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289491	1	46	-1.0	-41.35	375.55	6.13	-35.22
CN(CCC(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289492	0	43	-1.0	-41.80	359.92	5.53	-36.27
CN(CCC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289492	1	43	-1.0	-41.75	359.97	5.56	-36.19
CCC1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=CS1	REAL300020289493	0	49	-1.0	-52.70	400.27	5.52	-47.18
CCC1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=CS1	REAL300020289493	1	49	-1.0	-52.75	400.21	5.52	-47.23
CN(CC1=CSC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289494	0	46	-1.0	-42.09	382.24	5.08	-37.01
CN(CC1=CSC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289494	1	46	-1.0	-42.11	382.29	5.09	-37.02
CN(CC1=CSC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289495	0	43	-1.0	-52.92	356.83	4.05	-48.87
CN(CC1=CSC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289495	1	43	-1.0	-52.97	356.77	4.05	-48.92
CC(C)(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289496	0	56	-1.0	-41.66	415.76	8.04	-33.62
CC(C)(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289496	1	56	-1.0	-41.66	415.82	8.05	-33.61
CC(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289497	0	53	-1.0	-51.86	382.80	7.03	-44.83
CC(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289497	1	53	-1.0	-51.85	382.88	7.04	-44.81
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020289498	0	56	-1.0	-44.12	399.88	7.21	-36.91
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020289498	1	56	-1.0	-44.17	399.94	7.22	-36.95
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020289499	0	53	-1.0	-51.46	384.61	7.40	-44.06
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020289499	1	53	-1.0	-51.48	384.50	7.41	-44.07
CC1OCCC12CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CCO2	REAL300020289500	0	53	-1.0	-50.95	394.39	3.51	-47.44
CC1OCCC12CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CCO2	REAL300020289500	1	53	-1.0	-51.12	394.54	3.54	-47.58
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCS1	REAL300020289501	0	54	-1.0	-40.33	409.63	8.31	-32.02
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCS1	REAL300020289501	1	54	-1.0	-40.35	409.69	8.34	-32.01
C(CC1=NN=C(N2CCCC3(CC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289502	0	51	-1.0	-42.89	394.97	7.36	-35.53
C(CC1=NN=C(N2CCCC3(CC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289502	1	51	-1.0	-42.82	395.03	7.37	-35.45
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CC3)C2)N1CC1CCOC1	REAL300020289503	0	48	-1.0	-45.61	370.50	7.44	-38.17
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CC3)C2)N1CC1CCOC1	REAL300020289503	1	48	-1.0	-45.61	370.50	7.45	-38.16
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289504	0	59	-1.0	-42.03	423.25	8.05	-33.98
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289504	1	59	-1.0	-42.02	423.31	8.07	-33.95
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289505	0	56	-1.0	-43.92	401.59	7.34	-36.58
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289505	1	56	-1.0	-43.97	401.65	7.36	-36.61
CC(C)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289506	0	59	-1.0	-43.03	420.07	7.80	-35.23
CC(C)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289506	1	59	-1.0	-43.05	420.13	7.81	-35.24
CC(C)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289507	0	56	-1.0	-41.56	400.05	7.19	-34.37
CC(C)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289507	1	56	-1.0	-41.58	400.13	7.21	-34.37
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289508	0	56	-1.0	-42.40	419.01	8.40	-34.00
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289508	1	56	-1.0	-42.39	419.07	8.41	-33.98
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289509	0	53	-1.0	-47.62	397.16	7.86	-39.76
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289509	1	53	-1.0	-47.61	397.22	7.88	-39.73
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289510	0	55	-1.0	-43.47	435.93	5.17	-38.30
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289510	1	55	-1.0	-43.53	436.05	5.19	-38.34
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289511	0	51	-1.0	-42.34	393.59	5.48	-36.86
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289511	1	51	-1.0	-42.37	393.64	5.50	-36.87
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289512	0	48	-1.0	-47.12	371.75	4.95	-42.17
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289512	1	48	-1.0	-47.13	371.80	4.98	-42.15
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289513	0	56	-1.0	-42.40	409.20	7.83	-34.57
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289513	1	56	-1.0	-42.39	409.26	7.85	-34.54
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289514	0	53	-1.0	-42.37	392.42	7.22	-35.15
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289514	1	53	-1.0	-42.36	392.48	7.25	-35.11
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289515	0	51	-1.0	-42.92	393.55	7.43	-35.49
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289515	1	51	-1.0	-42.98	393.61	7.44	-35.54
C=CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289516	0	48	-1.0	-50.50	363.51	6.89	-43.61
C=CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289516	1	48	-1.0	-50.55	363.57	6.89	-43.66
CC(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289517	0	54	-1.0	-53.68	415.71	5.29	-48.39
CC(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289517	1	54	-1.0	-53.69	415.76	5.32	-48.37
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289518	0	54	-1.0	-57.72	409.68	4.79	-52.93
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289518	1	54	-1.0	-57.74	409.75	4.79	-52.95
CCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289519	0	56	-1.0	-45.28	428.47	3.82	-41.46
CCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289519	1	56	-1.0	-45.25	428.54	3.84	-41.41
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289519	1	57	0.0	-67.27	429.54	6.04	-61.23
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289520	0	46	-1.0	-39.54	357.35	5.73	-33.81
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289520	1	46	-1.0	-39.52	357.41	5.75	-33.77
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289521	0	43	-1.0	-41.13	341.84	5.19	-35.94
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289521	1	43	-1.0	-41.08	341.79	5.16	-35.92
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289522	0	50	-1.0	-43.22	398.55	8.40	-34.82
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289522	1	50	-1.0	-43.16	398.67	8.41	-34.75
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1CC1CCOC1	REAL300020289523	0	57	0.0	-65.86	429.14	8.12	-57.74
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1CC1CCOC1	REAL300020289523	1	57	0.0	-65.85	429.18	8.14	-57.71
C(CC1=NN=C(N2CCN(C3CC3)CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289524	0	53	-1.0	-43.97	397.62	4.88	-39.09
C(CC1=NN=C(N2CCN(C3CC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289524	1	53	-1.0	-43.96	397.68	4.90	-39.06
C(CC1=NN=C(N2CC[NH+](C3CC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289524	1	54	0.0	-70.63	400.18	7.07	-63.56
C(C1=N[N-]N=N1)C1=NN=C(N2CCN(C3CC3)CC2)N1CC1CCOC1	REAL300020289525	0	50	-1.0	-50.66	375.62	4.52	-46.14
C(C1=NN=N[N-]1)C1=NN=C(N2CCN(C3CC3)CC2)N1CC1CCOC1	REAL300020289525	1	50	-1.0	-50.66	375.61	4.54	-46.12
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CC3)CC2)N1CC1CCOC1	REAL300020289525	1	51	0.0	-74.43	378.82	6.98	-67.45
CN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289526	0	51	-1.0	-41.28	393.23	5.50	-35.78
CN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289526	1	51	-1.0	-41.28	393.29	5.52	-35.76
CN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289527	0	48	-1.0	-47.30	373.23	5.39	-41.91
CN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289527	1	48	-1.0	-47.25	373.29	5.40	-41.85
FC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289528	0	47	-1.0	-43.49	371.97	6.34	-37.15
FC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289528	1	47	-1.0	-43.52	372.02	6.35	-37.17
FC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289529	0	44	-1.0	-44.66	350.67	5.61	-39.05
FC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289529	1	44	-1.0	-44.67	350.73	5.63	-39.04
COCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289530	0	52	-1.0	-50.68	406.91	4.53	-46.15
COCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289530	1	52	-1.0	-50.67	406.99	4.55	-46.12
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020289531	0	53	-1.0	-43.29	414.50	8.37	-34.92
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020289531	1	53	-1.0	-43.32	414.56	8.39	-34.93
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020289532	0	50	-1.0	-48.83	394.76	7.48	-41.35
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020289532	1	50	-1.0	-48.73	395.02	7.49	-41.24
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289533	0	47	-1.0	-50.94	384.21	7.14	-43.80
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289533	1	47	-1.0	-50.92	384.15	7.14	-43.78
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289534	0	51	-1.0	-42.16	419.57	8.85	-33.31
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289534	1	51	-1.0	-42.16	419.63	8.86	-33.30
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289535	0	48	-1.0	-51.39	392.37	7.41	-43.98
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289535	1	48	-1.0	-51.38	392.30	7.41	-43.97
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289536	0	51	-1.0	-45.48	417.29	8.07	-37.41
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289536	1	51	-1.0	-45.44	417.34	8.08	-37.36
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289537	0	48	-1.0	-51.36	392.34	7.42	-43.94
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289537	1	48	-1.0	-51.39	392.28	7.43	-43.96
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(C)(C)C1	REAL300020289538	0	59	-1.0	-42.60	434.84	8.44	-34.16
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(C)(C)C1	REAL300020289538	1	59	-1.0	-42.58	434.90	8.46	-34.12
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(C)(C)C1	REAL300020289539	0	56	-1.0	-41.39	419.93	7.51	-33.88
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(C)(C)C1	REAL300020289539	1	56	-1.0	-41.39	419.99	7.54	-33.85
CC(C)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289540	0	59	-1.0	-39.62	441.35	9.34	-30.28
CC(C)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289540	1	59	-1.0	-39.62	441.41	9.36	-30.26
CC(C)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289541	0	56	-1.0	-46.04	414.77	8.77	-37.27
CC(C)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289541	1	56	-1.0	-45.97	414.83	8.79	-37.18
CC(C)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1=O	REAL300020289542	0	54	-1.0	-49.46	406.89	5.68	-43.78
CC(C)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1=O	REAL300020289542	1	54	-1.0	-49.47	406.92	5.68	-43.79
C1=CC=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)N=C1	REAL300020289543	0	51	-1.0	-45.63	405.99	4.77	-40.86
C1=CC=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)N=C1	REAL300020289543	1	51	-1.0	-45.64	405.94	4.74	-40.90
FC1=CC=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CC1	REAL300020289544	0	51	-1.0	-45.77	407.26	7.50	-38.27
FC1=CC=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CC1	REAL300020289544	1	51	-1.0	-45.76	407.32	7.53	-38.23
CCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289545	0	49	-1.0	-39.82	378.30	6.09	-33.73
CCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289545	1	49	-1.0	-39.86	378.36	6.10	-33.76
CCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289546	0	46	-1.0	-41.91	361.90	5.60	-36.31
CCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289546	1	46	-1.0	-41.92	361.95	5.63	-36.29
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289547	0	53	-1.0	-42.62	413.95	8.76	-33.86
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289547	1	53	-1.0	-42.55	414.01	8.75	-33.80
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1OC	REAL300020289548	0	52	-1.0	-43.59	403.39	4.76	-38.83
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1OC	REAL300020289548	1	52	-1.0	-43.58	403.44	4.77	-38.81
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1OC	REAL300020289549	0	49	-1.0	-47.47	388.75	3.41	-44.06
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1OC	REAL300020289549	1	49	-1.0	-47.45	388.81	3.43	-44.02
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289550	0	59	0.0	-67.25	437.47	7.85	-59.40
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289550	1	59	0.0	-69.99	435.79	7.88	-62.11
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289550	1	59	0.0	-67.25	437.52	7.87	-59.38
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289550	1	59	0.0	-70.03	435.84	7.90	-62.13
COCCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289551	0	55	-1.0	-47.09	418.72	3.69	-43.40
COCCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289551	1	55	-1.0	-47.07	418.77	3.72	-43.35
CN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289552	0	56	-1.0	-40.36	424.18	6.15	-34.21
CN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289552	1	56	-1.0	-40.41	424.24	6.16	-34.25
CN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289553	0	53	-1.0	-41.74	408.90	5.64	-36.10
CN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289553	1	53	-1.0	-41.77	408.96	5.66	-36.11
CNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289554	0	54	-1.0	-54.99	418.29	4.10	-50.89
CNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289554	1	54	-1.0	-54.92	418.35	4.12	-50.80
CNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289555	0	51	-1.0	-53.43	400.25	3.25	-50.18
CNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289555	1	51	-1.0	-53.46	400.31	3.28	-50.18
CC(=O)NCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289556	0	52	-1.0	-52.25	408.49	3.00	-49.25
CC(=O)NCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289556	1	52	-1.0	-52.25	408.54	3.03	-49.22
O=C1CC2(CN1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020289557	0	52	-1.0	-53.94	394.67	3.52	-50.42
O=C1CC2(CN1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020289557	1	52	-1.0	-53.95	394.71	3.54	-50.41
CNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289558	0	53	-1.0	-49.94	408.90	3.89	-46.05
CNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289558	1	53	-1.0	-49.92	408.96	3.91	-46.01
CNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289559	0	50	-1.0	-50.22	388.01	3.22	-47.00
CNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289559	1	50	-1.0	-50.21	388.07	3.24	-46.97
CNC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289560	0	54	-1.0	-55.92	406.31	4.61	-51.31
CNC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289560	1	54	-1.0	-55.96	406.37	4.62	-51.34
CNC(=O)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289561	0	53	-1.0	-44.41	416.96	4.07	-40.34
CNC(=O)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289561	1	53	-1.0	-44.43	417.02	4.08	-40.35
CNC(=O)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289562	0	50	-1.0	-46.80	401.40	3.50	-43.30
CNC(=O)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289562	1	50	-1.0	-46.82	401.46	3.52	-43.30
CNC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289563	0	54	-1.0	-52.04	413.74	3.88	-48.16
CNC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289563	1	54	-1.0	-52.10	413.79	3.91	-48.19
CNC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289564	0	51	-1.0	-62.42	390.47	3.44	-58.98
CNC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289564	1	51	-1.0	-62.37	390.52	3.44	-58.93
CNC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289565	0	52	-1.0	-46.65	408.45	3.71	-42.94
CNC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289565	1	52	-1.0	-46.64	408.51	3.73	-42.91
CNC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289566	0	49	-1.0	-48.66	391.93	2.98	-45.68
CNC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289566	1	49	-1.0	-48.67	391.98	3.00	-45.67
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289567	0	53	-1.0	-48.94	404.52	4.90	-44.04
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289567	1	53	-1.0	-48.92	404.58	4.91	-44.01
CNC(=O)C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289568	0	50	-1.0	-48.55	388.73	4.33	-44.22
CNC(=O)C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289568	1	50	-1.0	-48.58	388.79	4.36	-44.22
O=C1NC2(CO1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020289569	0	50	-1.0	-53.84	392.81	3.49	-50.35
O=C1NC2(CO1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020289569	1	50	-1.0	-53.82	392.87	3.50	-50.32
O=C1NCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCN12	REAL300020289570	0	51	-1.0	-50.51	393.17	2.81	-47.70
O=C1NCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCN12	REAL300020289570	1	51	-1.0	-50.50	393.22	2.83	-47.67
O=C1NCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCN12	REAL300020289571	0	48	-1.0	-48.63	371.41	3.00	-45.63
O=C1NCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCN12	REAL300020289571	1	48	-1.0	-48.65	371.48	3.01	-45.64
CC(C)C(=O)NCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289572	0	56	-1.0	-42.97	436.51	4.79	-38.18
CC(C)C(=O)NCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289572	1	56	-1.0	-42.96	436.56	4.80	-38.16
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289573	0	53	-1.0	-44.83	420.94	4.21	-40.62
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289573	1	53	-1.0	-44.87	421.00	4.23	-40.64
O=C1N[C@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@@H]2CO1	REAL300020289574	0	50	-1.0	-55.76	385.31	3.11	-52.65
O=C1N[C@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@@H]2CO1	REAL300020289574	1	50	-1.0	-55.84	385.40	3.11	-52.73
FC(F)(F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289575	0	47	-1.0	-50.34	372.41	6.62	-43.72
FC(F)(F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289575	1	47	-1.0	-50.41	372.22	6.62	-43.79
FC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289576	0	44	-1.0	-41.40	353.12	5.57	-35.83
FC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289576	1	44	-1.0	-41.42	353.18	5.58	-35.84
FC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289577	0	41	-1.0	-40.29	334.94	5.38	-34.91
FC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289577	1	41	-1.0	-40.29	335.00	5.41	-34.88
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289578	0	59	0.0	-73.99	437.19	6.46	-67.53
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289578	1	59	0.0	-74.02	437.24	6.47	-67.55
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289579	0	56	0.0	-71.61	415.01	5.72	-65.89
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289579	1	56	0.0	-71.63	415.07	5.75	-65.88
CCC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289580	0	54	-1.0	-47.10	419.43	5.86	-41.24
CCC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289580	1	54	-1.0	-47.07	419.49	5.88	-41.19
CCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289581	0	51	-1.0	-47.85	394.19	5.14	-42.71
CCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289581	1	51	-1.0	-47.87	394.26	5.16	-42.71
CN(CCN1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289582	0	56	-1.0	-44.82	424.83	3.35	-41.47
CN(CCN1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289582	1	56	-1.0	-44.82	424.89	3.37	-41.45
CN(CCN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289583	0	53	-1.0	-42.11	408.58	2.86	-39.25
CN(CCN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289583	1	53	-1.0	-42.12	408.65	2.89	-39.23
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289584	0	53	-1.0	-40.13	404.95	7.44	-32.69
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289584	1	53	-1.0	-40.16	405.00	7.46	-32.70
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289585	0	50	-1.0	-43.90	373.60	6.38	-37.52
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289585	1	50	-1.0	-43.89	373.66	6.41	-37.48
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1=CC=CC=C1	REAL300020289586	0	56	-1.0	-45.22	431.70	9.27	-35.95
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1=CC=CC=C1	REAL300020289586	1	56	-1.0	-45.22	431.76	9.29	-35.93
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1=CC=CC=C1	REAL300020289587	0	53	-1.0	-41.31	414.70	9.36	-31.95
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1=CC=CC=C1	REAL300020289587	1	53	-1.0	-41.31	414.75	9.39	-31.92
O=S1(=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289588	0	47	-1.0	-49.96	378.78	2.32	-47.64
O=S1(=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289588	1	47	-1.0	-50.01	378.84	2.34	-47.67
O=S1(=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289589	0	44	-1.0	-47.48	368.09	1.80	-45.68
O=S1(=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289589	1	44	-1.0	-47.51	368.14	1.82	-45.69
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)S1	REAL300020289590	0	50	-1.0	-42.89	408.96	7.61	-35.28
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)S1	REAL300020289590	1	50	-1.0	-42.93	409.01	7.63	-35.30
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)S1	REAL300020289591	0	47	-1.0	-43.15	387.65	6.83	-36.32
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)S1	REAL300020289591	1	47	-1.0	-43.13	387.71	6.86	-36.27
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)SC=N1	REAL300020289592	0	49	-1.0	-41.06	397.34	6.15	-34.91
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)SC=N1	REAL300020289592	1	49	-1.0	-41.02	397.39	6.17	-34.85
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)SC=N1	REAL300020289593	0	46	-1.0	-45.43	375.02	5.63	-39.80
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)SC=N1	REAL300020289593	1	46	-1.0	-45.47	375.05	5.66	-39.81
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCS1	REAL300020289594	0	48	-1.0	-43.47	382.07	6.37	-37.10
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCS1	REAL300020289594	1	48	-1.0	-43.50	382.12	6.39	-37.11
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCS1	REAL300020289595	0	45	-1.0	-49.15	356.23	5.82	-43.33
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCS1	REAL300020289595	1	45	-1.0	-49.08	356.52	5.84	-43.24
CN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289596	0	47	-1.0	-44.02	391.05	7.43	-36.59
CN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289596	1	47	-1.0	-44.04	391.10	7.46	-36.58
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)O1	REAL300020289597	0	50	-1.0	-41.11	400.07	7.02	-34.09
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)O1	REAL300020289597	1	50	-1.0	-41.12	400.12	7.03	-34.09
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)O1	REAL300020289598	0	47	-1.0	-51.13	374.68	6.02	-45.11
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)O1	REAL300020289598	1	47	-1.0	-51.17	374.62	6.02	-45.15
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289599	0	47	-1.0	-48.80	388.25	7.54	-41.26
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289599	1	47	-1.0	-48.84	388.18	7.53	-41.31
NC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289600	0	51	-1.0	-48.62	401.00	3.01	-45.61
NC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289600	1	51	-1.0	-48.63	401.06	3.03	-45.60
NC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289601	0	48	-1.0	-53.25	378.32	1.75	-51.50
NC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289601	1	48	-1.0	-53.26	378.38	1.77	-51.49
CN(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289602	0	47	-1.0	-43.69	377.56	5.83	-37.86
CN(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289602	1	47	-1.0	-43.69	377.61	5.85	-37.84
CN(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289603	0	44	-1.0	-42.25	359.81	5.94	-36.31
CN(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289603	1	44	-1.0	-42.21	359.75	5.91	-36.30
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289604	0	59	0.0	-71.07	436.08	8.07	-63.00
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289604	1	59	0.0	-71.10	436.14	8.09	-63.01
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289605	0	56	0.0	-66.14	414.42	7.32	-58.82
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289605	1	56	0.0	-66.15	414.36	7.30	-58.85
C(CC1=NN=C(N2CCC3CCCCC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289606	0	57	-1.0	-44.20	409.43	7.63	-36.57
C(CC1=NN=C(N2CCC3CCCCC3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289606	1	57	-1.0	-44.18	409.49	7.64	-36.54
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCCC3C2)N1CC1CCOC1	REAL300020289607	0	54	-1.0	-50.85	381.47	7.01	-43.84
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCCC3C2)N1CC1CCOC1	REAL300020289607	1	54	-1.0	-50.90	381.55	7.03	-43.87
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289608	0	51	-1.0	-53.85	406.03	3.80	-50.05
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289608	1	51	-1.0	-53.90	405.98	3.82	-50.08
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289609	0	59	0.0	-77.03	416.92	7.76	-69.27
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289609	1	59	0.0	-77.05	416.94	7.78	-69.27
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289610	0	53	-1.0	-42.13	400.15	7.47	-34.66
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289610	1	53	-1.0	-42.10	400.21	7.48	-34.62
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289611	0	50	-1.0	-42.43	387.03	7.19	-35.24
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289611	1	50	-1.0	-42.44	387.15	7.21	-35.23
CN(CCN1C=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289612	0	50	-1.0	-46.75	399.60	5.92	-40.83
CN(CCN1C=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289612	1	50	-1.0	-46.72	399.54	5.91	-40.81
CN(CCN1C=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289613	0	47	-1.0	-51.00	374.83	4.98	-46.02
CN(CCN1C=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289613	1	47	-1.0	-51.03	374.77	4.93	-46.10
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289614	0	54	-1.0	-43.88	414.36	5.66	-38.22
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289614	1	54	-1.0	-43.89	414.43	5.68	-38.21
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289615	0	51	-1.0	-45.08	392.64	5.83	-39.25
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289615	1	51	-1.0	-45.13	392.69	5.85	-39.28
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCCC3)C2)N1CC1CCOC1	REAL300020289616	0	57	-1.0	-50.24	407.31	8.18	-42.06
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCCC3)C2)N1CC1CCOC1	REAL300020289616	1	57	-1.0	-50.23	407.28	8.21	-42.02
C(CC1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289617	0	57	0.0	-70.78	424.30	7.91	-62.87
C(CC1=NN=C(N2CCN(C3CCC3)CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289617	1	56	-1.0	-41.92	423.77	5.83	-36.09
C(CC1=NN=C(N2CCN(C3CCC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289617	1	56	-1.0	-41.95	423.83	5.84	-36.11
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CCOC1	REAL300020289618	0	54	0.0	-63.73	405.76	7.18	-56.55
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CCOC1	REAL300020289618	1	54	0.0	-63.74	405.81	7.21	-56.53
C(C1=N[N-]N=N1)C1=NN=C(N2CCN(C3CCC3)CC2)N1CC1CCOC1	REAL300020289618	1	53	-1.0	-41.15	411.92	5.39	-35.76
C(C1=NN=N[N-]1)C1=NN=C(N2CCN(C3CCC3)CC2)N1CC1CCOC1	REAL300020289618	1	53	-1.0	-41.16	411.98	5.42	-35.74
CN1C=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)C=N1	REAL300020289619	0	53	-1.0	-47.12	413.99	4.17	-42.95
CN1C=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)C=N1	REAL300020289619	1	53	-1.0	-47.13	413.92	4.15	-42.98
CCOCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289620	0	57	-1.0	-39.27	440.86	7.04	-32.23
CCOCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289620	1	57	-1.0	-39.27	440.91	7.06	-32.21
CCOCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289621	0	54	-1.0	-43.43	418.15	5.78	-37.65
CCOCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289621	1	54	-1.0	-43.45	418.21	5.80	-37.65
CN(CCNS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289622	0	51	-1.0	-47.82	414.40	1.12	-46.70
CN(CCNS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289622	1	51	-1.0	-47.87	414.46	1.14	-46.73
CN(CCNS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289623	0	48	-1.0	-49.28	398.83	0.55	-48.73
CN(CCNS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289623	1	48	-1.0	-49.23	398.89	0.57	-48.66
CCN1C=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=N1	REAL300020289624	0	53	-1.0	-41.46	421.14	6.68	-34.78
CCN1C=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=N1	REAL300020289624	1	53	-1.0	-41.42	421.08	6.66	-34.76
CCN1C=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=N1	REAL300020289625	0	50	-1.0	-51.05	396.32	5.65	-45.40
CCN1C=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=N1	REAL300020289625	1	50	-1.0	-51.10	396.40	5.66	-45.44
CC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289626	0	53	-1.0	-45.51	378.92	6.55	-38.96
CC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289626	1	53	-1.0	-45.46	378.97	6.57	-38.89
CC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289627	0	50	-1.0	-50.29	373.09	6.61	-43.68
CC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289627	1	50	-1.0	-50.60	374.07	6.76	-43.84
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCN1C1CC1	REAL300020289628	0	52	-1.0	-44.52	399.57	5.83	-38.69
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCN1C1CC1	REAL300020289628	1	52	-1.0	-44.49	399.63	5.84	-38.65
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCN1C1CC1	REAL300020289629	0	49	-1.0	-48.19	378.19	4.98	-43.21
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCN1C1CC1	REAL300020289629	1	49	-1.0	-48.21	378.24	5.00	-43.21
COC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289630	0	53	-1.0	-46.07	423.17	7.03	-39.04
COC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289630	1	53	-1.0	-46.08	423.22	7.04	-39.04
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289631	0	50	-1.0	-53.47	396.40	6.83	-46.64
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289631	1	50	-1.0	-53.52	396.45	6.86	-46.66
CC(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1=O	REAL300020289632	0	54	-1.0	-45.94	409.05	5.45	-40.49
CC(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1=O	REAL300020289632	1	54	-1.0	-45.97	409.11	5.47	-40.50
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1=O	REAL300020289633	0	51	-1.0	-49.37	384.70	4.93	-44.44
CC(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1=O	REAL300020289633	1	51	-1.0	-49.39	384.74	4.94	-44.45
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(C)(C)O1	REAL300020289634	0	57	-1.0	-41.73	430.15	6.52	-35.21
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(C)(C)O1	REAL300020289634	1	57	-1.0	-41.72	430.20	6.53	-35.19
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(C)(C)O1	REAL300020289635	0	54	-1.0	-40.98	407.56	5.77	-35.21
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(C)(C)O1	REAL300020289635	1	54	-1.0	-41.01	407.63	5.79	-35.22
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCO3)CC2)N1CC1CCOC1	REAL300020289636	0	55	-1.0	-43.09	413.78	6.31	-36.78
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCO3)CC2)N1CC1CCOC1	REAL300020289636	1	55	-1.0	-43.07	413.85	6.32	-36.75
COC(=O)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289637	0	51	-1.0	-47.43	405.23	5.78	-41.65
COC(=O)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289637	1	51	-1.0	-47.39	405.25	5.81	-41.58
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289638	0	54	-1.0	-42.02	423.33	9.50	-32.52
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289638	1	54	-1.0	-42.00	423.38	9.53	-32.47
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289639	0	51	-1.0	-49.97	400.15	7.28	-42.69
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289639	1	51	-1.0	-49.95	400.21	7.29	-42.66
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289640	0	48	-1.0	-55.71	370.11	6.74	-48.97
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289640	1	48	-1.0	-55.75	370.17	6.74	-49.01
CCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289641	0	56	-1.0	-40.99	409.18	8.58	-32.41
CCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289641	1	56	-1.0	-40.96	409.24	8.60	-32.36
CCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289642	0	53	-1.0	-41.52	392.33	7.90	-33.62
CCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289642	1	53	-1.0	-41.53	392.39	7.91	-33.62
CN(CCCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289643	0	56	-1.0	-40.27	438.76	9.54	-30.73
CN(CCCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289643	1	56	-1.0	-40.27	438.81	9.55	-30.72
CN(CCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289644	0	53	-1.0	-41.75	423.19	8.97	-32.78
CN(CCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289644	1	53	-1.0	-41.79	423.25	8.99	-32.80
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289645	0	53	-1.0	-45.73	414.62	6.92	-38.81
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289645	1	53	-1.0	-45.74	414.67	6.93	-38.81
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289646	0	50	-1.0	-54.02	384.57	6.38	-47.64
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289646	1	50	-1.0	-54.06	384.64	6.38	-47.68
C(CC1=NN=C(N2CCCC3(CCCC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289647	0	57	-1.0	-39.31	421.28	9.36	-29.95
C(CC1=NN=C(N2CCCC3(CCCC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289647	1	57	-1.0	-39.33	421.34	9.37	-29.96
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCC3)C2)N1CC1CCOC1	REAL300020289648	0	54	-1.0	-46.22	393.95	8.81	-37.41
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCC3)C2)N1CC1CCOC1	REAL300020289648	1	54	-1.0	-46.37	394.38	8.79	-37.58
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1=O	REAL300020289649	0	48	-1.0	-45.33	372.34	3.99	-41.34
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1=O	REAL300020289649	1	48	-1.0	-45.38	372.40	4.01	-41.37
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1=O	REAL300020289650	0	45	-1.0	-50.42	348.19	3.32	-47.10
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1=O	REAL300020289650	1	45	-1.0	-50.47	348.23	3.34	-47.13
CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289651	0	54	-1.0	-40.70	419.59	6.34	-34.36
CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289651	1	54	-1.0	-40.68	419.65	6.35	-34.33
CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289652	0	51	-1.0	-42.77	398.02	5.90	-36.87
CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289652	1	51	-1.0	-42.75	398.08	5.91	-36.84
C(CC1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289653	0	57	0.0	-69.11	433.79	8.75	-60.36
C(CC1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289653	1	57	0.0	-69.09	433.85	8.77	-60.32
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CCOC1	REAL300020289654	0	54	0.0	-77.48	401.39	7.71	-69.77
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CCOC1	REAL300020289654	1	54	0.0	-77.60	401.36	7.72	-69.88
CC1=NOC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289655	0	52	-1.0	-43.33	404.55	6.28	-37.05
CC1=NOC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289655	1	52	-1.0	-43.31	404.60	6.29	-37.02
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289656	0	49	-1.0	-48.46	379.80	5.58	-42.88
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289656	1	49	-1.0	-48.52	379.84	5.59	-42.93
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289657	0	49	-1.0	-60.20	389.90	8.08	-52.12
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289657	1	49	-1.0	-60.25	389.96	8.11	-52.14
CN(CCC1=NC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289658	0	49	-1.0	-42.05	403.34	5.82	-36.23
CN(CCC1=NC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289658	1	49	-1.0	-42.10	403.39	5.83	-36.27
CN(CCC1=NC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289659	0	46	-1.0	-43.51	386.45	5.28	-38.23
CN(CCC1=NC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289659	1	46	-1.0	-43.53	386.50	5.30	-38.23
C1=CSC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020289660	0	48	-1.0	-48.39	368.26	7.09	-41.30
C1=CSC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020289660	1	48	-1.0	-48.34	368.31	7.10	-41.24
C(CC1=NN=C(N2CCC3(C2)CCOCC3)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289661	0	55	-1.0	-46.74	390.80	4.62	-42.12
C(CC1=NN=C(N2CCC3(C2)CCOCC3)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289661	1	55	-1.0	-46.77	390.86	4.64	-42.13
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)CCOCC3)N1CC1CCOC1	REAL300020289662	0	52	-1.0	-52.37	365.82	4.29	-48.08
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)CCOCC3)N1CC1CCOC1	REAL300020289662	1	52	-1.0	-52.29	365.82	4.30	-47.99
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCS1	REAL300020289663	0	54	-1.0	-42.44	413.71	7.59	-34.85
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCS1	REAL300020289663	1	54	-1.0	-42.40	413.77	7.61	-34.79
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCS1	REAL300020289664	0	51	-1.0	-42.49	393.89	6.80	-35.69
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCS1	REAL300020289664	1	51	-1.0	-42.53	393.95	6.82	-35.71
CN1C=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)C=N1	REAL300020289665	0	54	-1.0	-57.00	415.86	7.06	-49.94
CN1C=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)C=N1	REAL300020289665	1	54	-1.0	-56.99	415.81	7.06	-49.93
NC(=O)COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289666	0	52	-1.0	-59.99	401.10	2.91	-57.08
NC(=O)COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289666	1	52	-1.0	-60.01	401.17	2.92	-57.09
COC(=O)C1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289667	0	50	-1.0	-45.82	400.41	6.48	-39.34
COC(=O)C1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289667	1	50	-1.0	-45.78	400.46	6.49	-39.29
COC(=O)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289668	0	47	-1.0	-45.91	383.22	5.67	-40.24
COC(=O)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289668	1	47	-1.0	-45.92	383.28	5.69	-40.23
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCCCC3)C2)N1CC1CCOC1	REAL300020289669	0	55	-1.0	-41.03	408.48	7.21	-33.82
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCCCC3)C2)N1CC1CCOC1	REAL300020289669	1	55	-1.0	-41.06	408.54	7.23	-33.83
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289670	0	48	-1.0	-45.02	370.28	4.27	-40.75
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289670	1	48	-1.0	-45.04	370.34	4.28	-40.76
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289671	0	45	-1.0	-50.41	348.63	3.74	-46.67
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289671	1	45	-1.0	-50.81	346.63	3.77	-47.04
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)CCO1	REAL300020289672	0	52	-1.0	-45.17	385.53	5.62	-39.55
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)CCO1	REAL300020289672	1	52	-1.0	-45.18	385.51	5.60	-39.58
CC1=NC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)S1	REAL300020289673	0	49	-1.0	-40.39	403.64	5.99	-34.40
CC1=NC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)S1	REAL300020289673	1	49	-1.0	-40.36	403.70	6.00	-34.36
CC1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)S1	REAL300020289674	0	46	-1.0	-49.87	378.78	4.96	-44.91
CC1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)S1	REAL300020289674	1	46	-1.0	-49.85	378.72	4.96	-44.89
CN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289675	0	47	-1.0	-43.45	367.40	5.98	-37.47
CN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289675	1	47	-1.0	-43.43	367.45	6.00	-37.43
CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289676	0	44	-1.0	-44.77	346.60	6.15	-38.62
CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289676	1	44	-1.0	-44.81	346.65	6.18	-38.63
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289677	0	51	-1.0	-43.49	405.42	9.21	-34.28
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289677	1	51	-1.0	-43.50	405.48	9.20	-34.30
CC1=CC=CC(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020289678	0	54	-1.0	-43.19	430.36	7.73	-35.46
CC1=CC=CC(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020289678	1	54	-1.0	-43.16	430.42	7.75	-35.41
CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289679	0	50	-1.0	-44.17	400.93	8.63	-35.54
CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289679	1	50	-1.0	-44.16	400.99	8.65	-35.51
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289680	0	47	-1.0	-44.92	382.35	6.99	-37.93
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289680	1	47	-1.0	-44.94	382.41	7.02	-37.92
CC(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289681	0	52	-1.0	-39.42	396.42	7.02	-32.40
CC(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289681	1	52	-1.0	-39.42	396.48	7.03	-32.39
CC(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289682	0	49	-1.0	-40.85	380.85	6.44	-34.41
CC(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289682	1	49	-1.0	-40.88	380.91	6.46	-34.42
CC(C)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289683	0	56	-1.0	-42.99	437.61	9.68	-33.31
CC(C)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289683	1	56	-1.0	-42.98	437.74	9.69	-33.29
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289684	0	50	-1.0	-45.42	398.48	6.46	-38.96
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289684	1	50	-1.0	-45.45	398.54	6.48	-38.97
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289685	0	47	-1.0	-45.44	373.29	5.20	-40.24
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289685	1	47	-1.0	-45.41	373.34	5.22	-40.19
COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289686	0	52	-1.0	-46.86	409.39	4.86	-42.00
COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289686	1	52	-1.0	-46.94	409.45	4.87	-42.07
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289687	0	49	-1.0	-46.11	386.38	4.20	-41.91
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289687	1	49	-1.0	-46.12	386.45	4.21	-41.91
CN(CC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289688	0	52	-1.0	-41.16	392.41	7.42	-33.74
CN(CC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289688	1	52	-1.0	-41.16	392.47	7.43	-33.73
CN(CC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289689	0	49	-1.0	-40.91	368.52	6.92	-33.99
CN(CC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289689	1	49	-1.0	-40.96	368.58	6.94	-34.02
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289690	0	56	-1.0	-45.07	418.76	9.32	-35.75
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289690	1	56	-1.0	-45.02	418.83	9.31	-35.71
CN1N=CC=C1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289691	0	54	-1.0	-55.22	396.18	5.63	-49.59
CN1N=CC=C1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289691	1	54	-1.0	-55.19	396.07	5.63	-49.56
COCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289692	0	55	-1.0	-48.61	426.85	5.35	-43.26
COCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289692	1	55	-1.0	-48.71	426.90	5.38	-43.33
CN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289693	0	47	-1.0	-43.45	367.40	5.98	-37.47
CN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289693	1	47	-1.0	-43.43	367.45	6.00	-37.43
CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289694	0	44	-1.0	-44.77	346.60	6.15	-38.62
CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289694	1	44	-1.0	-44.81	346.65	6.18	-38.63
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289695	0	51	-1.0	-43.49	405.42	9.21	-34.28
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289695	1	51	-1.0	-43.50	405.48	9.20	-34.30
CN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289696	0	50	-1.0	-43.42	389.60	7.21	-36.21
CN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289696	1	50	-1.0	-43.43	389.66	7.22	-36.21
CN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289697	0	47	-1.0	-42.02	370.80	6.99	-35.03
CN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289697	1	47	-1.0	-42.01	370.86	7.02	-34.99
CN(CCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289698	0	54	-1.0	-41.16	422.28	9.54	-31.62
CN(CCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289698	1	54	-1.0	-41.12	422.31	9.53	-31.59
CCOCCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289699	0	55	-1.0	-51.69	428.25	5.46	-46.23
CCOCCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289699	1	55	-1.0	-51.69	428.31	5.49	-46.20
COCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289700	0	50	-1.0	-40.03	391.02	4.81	-35.22
COCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289700	1	50	-1.0	-40.00	391.08	4.82	-35.18
COCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289701	0	47	-1.0	-41.52	375.46	4.23	-37.29
COCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289701	1	47	-1.0	-41.53	375.51	4.26	-37.27
COCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289702	0	54	-1.0	-43.55	432.22	7.47	-36.08
COCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289702	1	54	-1.0	-43.56	432.34	7.48	-36.08
CC(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289703	0	54	-1.0	-50.39	415.56	6.08	-44.31
CC(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289703	1	54	-1.0	-50.41	415.63	6.11	-44.30
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(C)S1	REAL300020289704	0	51	-1.0	-43.11	397.51	7.16	-35.95
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(C)S1	REAL300020289704	1	51	-1.0	-43.11	397.56	7.18	-35.93
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(C)S1	REAL300020289705	0	48	-1.0	-39.82	387.83	7.27	-32.55
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(C)S1	REAL300020289705	1	48	-1.0	-39.80	387.88	7.29	-32.51
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289706	0	48	-1.0	-42.26	387.07	4.30	-37.96
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289706	1	48	-1.0	-42.22	387.13	4.32	-37.90
CN(CC1=CN=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289707	0	45	-1.0	-52.50	361.77	3.26	-49.24
CN(CC1=CN=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289707	1	45	-1.0	-52.46	361.71	3.27	-49.19
C(CC1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289708	0	57	0.0	-67.39	425.37	8.10	-59.29
C(CC1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289708	1	57	0.0	-74.30	409.07	6.90	-67.40
C(CC1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289708	1	57	0.0	-67.41	425.43	8.14	-59.27
C(CC1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289708	1	57	0.0	-74.26	409.13	6.91	-67.35
C(CC1=NN=C(N2CCN3CCCCC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289708	1	56	-1.0	-40.48	415.30	6.03	-34.45
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CCOC1	REAL300020289709	0	54	0.0	-67.47	399.44	7.47	-60.00
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C(C1=N[N-]N=N1)C1=NN=C(N2CCN3CCCCC3C2)N1CC1CCOC1	REAL300020289709	1	53	-1.0	-50.21	394.42	4.64	-45.57
C(C1=NN=N[N-]1)C1=NN=C(N2CCN3CCCCC3C2)N1CC1CCOC1	REAL300020289709	1	53	-1.0	-50.12	394.09	4.70	-45.42
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CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289717	1	50	-1.0	-43.16	398.67	8.41	-34.75
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CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289723	0	51	-1.0	-45.06	388.32	5.11	-39.95
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CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289724	0	48	-1.0	-51.12	365.05	4.53	-46.59
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C#CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289728	1	42	-1.0	-39.38	343.25	5.48	-33.90
C#CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289729	0	39	-1.0	-41.00	327.74	4.93	-36.07
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C(OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1)C1CC1	REAL300020289734	1	55	-1.0	-47.61	422.11	7.81	-39.80
CC1(C)C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC21	REAL300020289735	0	51	-1.0	-43.30	386.66	7.00	-36.30
CC1(C)C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC21	REAL300020289735	1	51	-1.0	-43.32	386.72	7.02	-36.30
CC1(C)C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC21	REAL300020289736	0	48	-1.0	-42.74	368.76	6.58	-36.16
CC1(C)C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC21	REAL300020289736	1	48	-1.0	-42.74	368.82	6.61	-36.13
CC(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289737	0	56	-1.0	-40.08	420.46	8.54	-31.54
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CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289746	0	44	-1.0	-54.46	337.71	5.57	-48.89
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CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC12CCC2	REAL300020289749	1	57	-1.0	-44.33	408.17	7.52	-36.81
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CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC12CCC2	REAL300020289750	1	54	-1.0	-52.25	378.01	6.87	-45.38
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289751	0	54	-1.0	-41.81	410.84	6.12	-35.69
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289751	1	54	-1.0	-41.74	410.89	6.14	-35.60
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289752	0	51	-1.0	-42.07	386.03	5.50	-36.57
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CN1CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCN2C1=O	REAL300020289754	1	51	-1.0	-49.13	393.50	5.36	-43.77
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCOCC3)C2)N1CC1CCOC1	REAL300020289755	0	55	-1.0	-54.28	382.61	5.24	-49.04
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CC(C)(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289756	0	57	-1.0	-39.45	430.26	6.51	-32.94
CC(C)(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289756	1	57	-1.0	-39.43	430.32	6.52	-32.91
CC(C)(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289757	0	54	-1.0	-41.24	408.91	6.11	-35.13
CC(C)(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289757	1	54	-1.0	-41.26	408.98	6.13	-35.13
CC(C)(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289758	0	59	-1.0	-39.28	433.95	8.34	-30.94
CC(C)(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289758	1	59	-1.0	-39.31	434.00	8.36	-30.95
CC(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289759	0	56	-1.0	-51.71	401.21	7.32	-44.39
CC(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289759	1	56	-1.0	-51.62	401.45	7.32	-44.30
C1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C2)C=C1	REAL300020289760	0	54	-1.0	-43.17	396.71	7.48	-35.69
C1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C2)C=C1	REAL300020289760	1	54	-1.0	-43.22	396.76	7.49	-35.73
C1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)C=C1	REAL300020289761	0	51	-1.0	-50.99	371.15	7.20	-43.79
C1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)C=C1	REAL300020289761	1	51	-1.0	-51.00	371.15	7.22	-43.78
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289762	0	48	-1.0	-53.73	371.30	1.82	-51.91
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289762	1	48	-1.0	-53.67	371.36	1.84	-51.83
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289763	0	45	-1.0	-48.62	355.50	1.23	-47.39
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289763	1	45	-1.0	-48.63	355.56	1.25	-47.38
C(CC1=NN=C(N2CCCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289764	0	44	-1.0	-45.07	335.91	5.22	-39.85
C(CC1=NN=C(N2CCCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289764	1	44	-1.0	-45.04	335.97	5.23	-39.81
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2)N1CC1CCOC1	REAL300020289765	0	41	-1.0	-52.19	313.32	4.88	-47.31
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2)N1CC1CCOC1	REAL300020289765	1	41	-1.0	-52.18	313.31	4.87	-47.31
C1=CC(C2=NN=C(N3CCCC3)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020289766	0	48	-1.0	-45.36	379.70	7.61	-37.75
C1=CC(C2=NN=C(N3CCCC3)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020289766	1	48	-1.0	-45.34	379.75	7.61	-37.73
CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289767	0	50	-1.0	-44.42	377.59	6.53	-37.89
CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289767	1	50	-1.0	-44.40	377.65	6.55	-37.85
CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289768	0	47	-1.0	-44.33	359.88	5.87	-38.46
CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289768	1	47	-1.0	-44.26	359.94	5.89	-38.37
CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020289769	0	54	-1.0	-44.86	406.49	8.68	-36.18
CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020289769	1	54	-1.0	-44.85	406.53	8.67	-36.18
C(CC1=NN=C(N2CCOCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289770	0	45	-1.0	-41.15	361.28	4.12	-37.03
C(CC1=NN=C(N2CCOCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289770	1	45	-1.0	-41.19	361.34	4.14	-37.05
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCC2)N1CC1CCOC1	REAL300020289771	0	42	-1.0	-44.71	330.20	3.05	-41.66
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCC2)N1CC1CCOC1	REAL300020289771	1	42	-1.0	-44.68	330.26	3.08	-41.60
C1=CC(C2=NN=C(N3CCOCC3)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020289772	0	49	-1.0	-46.44	381.59	5.56	-40.88
C1=CC(C2=NN=C(N3CCOCC3)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020289772	1	49	-1.0	-46.40	381.56	5.56	-40.84
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289773	0	51	-1.0	-47.56	393.36	4.94	-42.62
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289773	1	51	-1.0	-47.58	393.41	4.95	-42.63
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289774	0	48	-1.0	-48.16	373.89	4.36	-43.80
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289774	1	48	-1.0	-48.15	373.96	4.38	-43.77
CC1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289775	0	53	-1.0	-42.02	401.97	7.39	-34.63
CC1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289775	1	53	-1.0	-42.02	402.03	7.40	-34.62
CC1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289776	0	50	-1.0	-41.94	380.43	6.61	-35.33
CC1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289776	1	50	-1.0	-41.98	380.50	6.63	-35.35
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289777	0	53	-1.0	-53.63	406.44	7.31	-46.32
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289777	1	53	-1.0	-53.73	406.50	7.31	-46.42
CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289778	0	49	-1.0	-39.40	378.85	6.52	-32.88
CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289778	1	49	-1.0	-39.50	378.91	6.53	-32.97
CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289779	0	46	-1.0	-40.89	363.28	5.94	-34.95
CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289779	1	46	-1.0	-40.93	363.34	5.97	-34.96
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289780	0	53	-1.0	-43.00	420.05	9.18	-33.82
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289780	1	53	-1.0	-42.98	420.17	9.19	-33.79
CCOC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289781	0	52	-1.0	-55.08	403.77	5.28	-49.80
CCOC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289781	1	52	-1.0	-55.07	403.82	5.31	-49.76
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289782	0	51	-1.0	-49.00	395.80	2.95	-46.05
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289782	1	51	-1.0	-49.01	395.86	2.96	-46.05
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289783	0	48	-1.0	-58.10	365.76	2.41	-55.69
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289783	1	48	-1.0	-58.17	365.82	2.41	-55.76
CCOC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289784	0	53	-1.0	-49.11	418.61	6.80	-42.31
CCOC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289784	1	53	-1.0	-49.07	418.66	6.83	-42.24
C1=CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)N=C1	REAL300020289785	0	51	-1.0	-45.11	406.15	6.51	-38.60
C1=CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)N=C1	REAL300020289785	1	51	-1.0	-45.09	406.08	6.50	-38.59
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289786	0	50	-1.0	-43.56	379.71	6.67	-36.89
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289786	1	50	-1.0	-43.52	379.77	6.69	-36.83
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289787	0	47	-1.0	-50.65	355.82	6.29	-44.36
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289787	1	47	-1.0	-50.71	355.62	6.29	-44.42
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)CC1	REAL300020289788	0	54	-1.0	-43.55	426.15	9.08	-34.47
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)CC1	REAL300020289788	1	54	-1.0	-43.58	426.20	9.07	-34.51
C1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)N=C1	REAL300020289789	0	52	-1.0	-43.26	415.25	6.07	-37.19
C1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)N=C1	REAL300020289789	1	52	-1.0	-43.26	415.31	6.09	-37.17
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289790	0	51	-1.0	-46.83	394.12	4.38	-42.45
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289790	1	51	-1.0	-46.84	394.18	4.39	-42.45
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289791	0	48	-1.0	-55.20	378.98	4.42	-50.78
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289791	1	48	-1.0	-55.23	379.83	4.41	-50.82
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1CC1CCOC1	REAL300020289792	0	57	0.0	-71.98	408.80	7.89	-64.09
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1CC1CCOC1	REAL300020289792	1	57	0.0	-71.96	408.83	7.89	-64.07
CN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289793	0	44	-1.0	-41.95	382.83	6.65	-35.30
CN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289793	1	44	-1.0	-41.96	382.89	6.68	-35.28
CN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289794	0	50	-1.0	-44.78	404.81	7.68	-37.10
CN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289794	1	50	-1.0	-44.81	404.86	7.69	-37.12
CN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289795	0	47	-1.0	-52.41	380.08	6.93	-45.48
CN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289795	1	47	-1.0	-52.42	380.13	6.95	-45.47
CS(=O)(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289796	0	50	-1.0	-60.52	398.19	3.47	-57.05
CS(=O)(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289796	1	50	-1.0	-60.52	398.25	3.49	-57.03
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289797	0	51	-1.0	-53.06	395.80	6.72	-46.34
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289797	1	51	-1.0	-53.02	395.86	6.72	-46.30
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289798	0	50	-1.0	-43.36	406.82	8.31	-35.05
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289798	1	50	-1.0	-43.39	406.88	8.33	-35.06
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289799	0	59	0.0	-75.40	417.47	6.78	-68.62
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289799	1	59	0.0	-75.35	417.53	6.80	-68.55
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289800	0	47	-1.0	-48.39	384.33	7.16	-41.23
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289800	1	47	-1.0	-48.42	384.28	7.17	-41.25
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289801	0	56	-1.0	-39.21	425.82	8.38	-30.83
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289801	1	56	-1.0	-39.19	425.88	8.39	-30.80
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289802	0	53	-1.0	-45.36	399.45	8.13	-37.23
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289802	1	53	-1.0	-45.41	399.51	8.16	-37.25
C(OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1)C1CC1	REAL300020289803	0	55	-1.0	-45.68	427.86	7.78	-37.90
C(OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1)C1CC1	REAL300020289803	1	55	-1.0	-45.68	427.91	7.81	-37.87
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289804	0	47	-1.0	-51.27	383.10	5.57	-45.70
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289804	1	47	-1.0	-51.32	383.03	5.58	-45.74
CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289805	0	54	-1.0	-57.60	409.18	4.75	-52.85
CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289805	1	54	-1.0	-57.59	409.24	4.75	-52.84
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289806	0	54	-1.0	-49.62	419.56	4.62	-45.00
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289806	1	54	-1.0	-49.61	419.62	4.64	-44.97
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289807	0	51	-1.0	-55.41	389.83	4.07	-51.34
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289807	1	51	-1.0	-55.44	389.89	4.07	-51.37
CN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289808	0	47	-1.0	-42.78	387.10	6.82	-35.96
CN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289808	1	47	-1.0	-42.80	387.16	6.83	-35.97
CN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289809	0	44	-1.0	-42.91	365.85	6.06	-36.85
CN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289809	1	44	-1.0	-42.87	365.79	6.04	-36.83
CC(C)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289810	0	54	-1.0	-52.66	405.63	5.82	-46.84
CC(C)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289810	1	54	-1.0	-52.63	405.71	5.83	-46.80
COC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289811	0	51	-1.0	-40.70	397.74	5.37	-35.33
COC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289811	1	51	-1.0	-40.69	397.79	5.39	-35.30
COC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289812	0	48	-1.0	-47.38	368.26	5.24	-42.14
COC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289812	1	48	-1.0	-47.42	368.33	5.25	-42.17
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289813	0	54	-1.0	-42.94	414.83	5.90	-37.04
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289813	1	54	-1.0	-42.99	414.88	5.92	-37.07
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289814	0	51	-1.0	-44.30	393.33	5.12	-39.18
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289814	1	51	-1.0	-44.32	393.38	5.14	-39.18
O=S1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289815	0	46	-1.0	-47.88	373.25	3.78	-44.10
O=S1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289815	1	46	-1.0	-47.89	373.31	3.79	-44.10
O=S1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289816	0	43	-1.0	-51.21	351.91	3.41	-47.80
O=S1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289816	1	43	-1.0	-51.17	351.96	3.42	-47.75
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289817	0	48	-1.0	-42.07	372.78	6.67	-35.40
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289817	1	48	-1.0	-42.08	372.84	6.68	-35.40
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289818	0	45	-1.0	-41.46	350.85	5.94	-35.52
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289818	1	45	-1.0	-41.42	350.78	5.92	-35.50
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)CC1	REAL300020289819	0	52	-1.0	-44.82	407.80	8.74	-36.08
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)CC1	REAL300020289819	1	52	-1.0	-44.79	407.83	8.73	-36.06
CN(CC1CCCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289820	0	54	-1.0	-40.52	406.53	6.51	-34.01
CN(CC1CCCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289820	1	54	-1.0	-40.50	406.58	6.52	-33.98
CN(CC1CCCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289821	0	51	-1.0	-45.80	387.68	6.06	-39.74
CN(CC1CCCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289821	1	51	-1.0	-45.78	387.74	6.07	-39.71
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289822	0	46	-1.0	-48.47	372.42	4.10	-44.37
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289822	1	46	-1.0	-48.47	372.47	4.11	-44.36
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289823	0	43	-1.0	-55.50	343.81	3.40	-52.10
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289823	1	43	-1.0	-55.52	344.66	3.40	-52.12
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289824	0	50	-1.0	-42.88	399.82	5.65	-37.23
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289824	1	50	-1.0	-42.81	399.76	5.65	-37.16
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289825	0	47	-1.0	-44.01	382.68	5.10	-38.91
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289825	1	47	-1.0	-43.97	382.62	5.08	-38.89
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289826	0	50	-1.0	-52.67	397.57	5.69	-46.98
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289826	1	50	-1.0	-52.67	397.51	5.69	-46.98
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289827	0	54	-1.0	-51.77	416.82	7.26	-44.51
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289827	1	54	-1.0	-51.79	416.76	7.26	-44.53
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289828	0	52	-1.0	-42.11	412.62	6.41	-35.70
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289828	1	52	-1.0	-42.12	412.68	6.43	-35.69
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289829	0	49	-1.0	-52.39	379.76	5.48	-46.91
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289829	1	49	-1.0	-52.41	379.81	5.49	-46.92
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289830	0	50	-1.0	-42.37	379.68	6.82	-35.55
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289830	1	50	-1.0	-42.39	379.73	6.83	-35.56
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289831	0	47	-1.0	-48.78	358.45	6.27	-42.51
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289831	1	47	-1.0	-48.81	358.51	6.28	-42.53
CC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020289832	0	54	-1.0	-45.22	419.43	8.66	-36.56
CC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020289832	1	54	-1.0	-45.23	419.47	8.65	-36.58
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289833	0	56	-1.0	-45.53	399.80	6.87	-38.66
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289833	1	56	-1.0	-45.61	399.86	6.88	-38.73
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289834	0	53	-1.0	-45.53	394.85	7.84	-37.69
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289834	1	53	-1.0	-45.57	394.90	7.87	-37.70
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289835	0	54	-1.0	-47.08	411.03	5.58	-41.50
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289835	1	54	-1.0	-47.06	411.09	5.59	-41.47
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289836	0	51	-1.0	-49.74	392.10	5.66	-44.08
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289836	1	51	-1.0	-49.74	392.15	5.68	-44.06
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289837	0	54	-1.0	-44.85	399.46	7.59	-37.26
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289837	1	54	-1.0	-44.90	399.52	7.60	-37.30
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCOC1	REAL300020289838	0	51	-1.0	-45.88	383.63	7.78	-38.10
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCOC1	REAL300020289838	1	51	-1.0	-45.91	383.70	7.80	-38.11
OC1C2CCCC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020289839	0	55	-1.0	-43.18	392.43	5.72	-37.46
OC1C2CCCC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020289839	1	55	-1.0	-43.19	392.49	5.74	-37.45
OC1C2CCCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020289840	0	52	-1.0	-43.55	376.55	5.12	-38.43
OC1C2CCCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020289840	1	52	-1.0	-43.57	376.61	5.15	-38.42
CO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289841	0	48	-1.0	-44.11	371.75	4.26	-39.85
CO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289841	1	48	-1.0	-44.08	371.80	4.28	-39.80
CO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289842	0	45	-1.0	-49.20	352.58	3.97	-45.23
CO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289842	1	45	-1.0	-49.23	352.64	3.98	-45.25
CO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020289843	0	52	-1.0	-45.66	399.20	6.26	-39.40
CO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020289843	1	52	-1.0	-45.68	399.23	6.25	-39.43
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020289844	0	53	-1.0	-45.63	372.29	5.91	-39.72
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020289844	1	53	-1.0	-45.67	372.36	5.93	-39.74
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020289845	0	50	-1.0	-51.47	349.26	5.44	-46.03
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020289845	1	50	-1.0	-51.49	349.31	5.45	-46.04
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289846	0	48	-1.0	-42.45	378.82	4.68	-37.77
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289846	1	48	-1.0	-42.44	378.87	4.69	-37.75
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289847	0	45	-1.0	-43.31	354.70	3.66	-39.65
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289847	1	45	-1.0	-43.27	354.76	3.68	-39.59
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020289848	0	52	-1.0	-46.19	401.81	6.15	-40.04
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020289848	1	52	-1.0	-46.18	401.85	6.13	-40.05
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289849	0	53	-1.0	-39.21	401.97	8.04	-31.17
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289849	1	53	-1.0	-39.23	402.03	8.05	-31.18
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289850	0	50	-1.0	-45.32	377.96	7.38	-37.94
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289850	1	50	-1.0	-45.32	378.01	7.40	-37.92
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(C)(C)C1	REAL300020289851	0	56	-1.0	-45.85	400.25	7.10	-38.75
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(C)(C)C1	REAL300020289851	1	56	-1.0	-45.80	400.31	7.11	-38.69
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(C)(C)C1	REAL300020289852	0	53	-1.0	-51.54	376.94	6.61	-44.93
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(C)(C)C1	REAL300020289852	1	53	-1.0	-51.54	376.98	6.63	-44.91
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289853	0	56	-1.0	-39.60	434.66	8.64	-30.96
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289853	1	56	-1.0	-39.60	434.71	8.65	-30.95
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289854	0	53	-1.0	-41.05	419.09	8.07	-32.98
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289854	1	53	-1.0	-41.01	419.15	8.09	-32.92
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCS1	REAL300020289855	0	51	-1.0	-43.66	395.77	7.08	-36.58
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCS1	REAL300020289855	1	51	-1.0	-43.62	395.84	7.10	-36.52
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCS1	REAL300020289856	0	48	-1.0	-43.94	376.48	7.42	-36.52
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCS1	REAL300020289856	1	48	-1.0	-43.98	376.55	7.44	-36.54
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020289857	0	50	-1.0	-44.93	376.23	6.26	-38.67
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020289857	1	50	-1.0	-44.90	376.29	6.27	-38.63
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020289858	0	47	-1.0	-46.03	359.22	6.54	-39.49
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020289858	1	47	-1.0	-46.05	359.28	6.56	-39.49
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)CC1C	REAL300020289859	0	54	-1.0	-42.20	404.58	9.08	-33.12
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)CC1C	REAL300020289859	1	54	-1.0	-42.18	404.61	9.08	-33.10
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCS1	REAL300020289860	0	51	-1.0	-39.43	393.23	7.94	-31.49
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCS1	REAL300020289860	1	51	-1.0	-39.42	393.29	7.95	-31.47
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCS1	REAL300020289861	0	48	-1.0	-48.33	357.85	6.05	-42.28
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCS1	REAL300020289861	1	48	-1.0	-48.36	357.90	6.04	-42.32
C(CC1=NN=C(N2CCC3OCCCC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289862	0	55	-1.0	-42.32	417.07	6.01	-36.31
C(CC1=NN=C(N2CCC3OCCCC3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289862	1	55	-1.0	-42.30	417.12	6.02	-36.28
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3OCCCC3C2)N1CC1CCOC1	REAL300020289863	0	52	-1.0	-48.64	389.25	5.34	-43.30
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3OCCCC3C2)N1CC1CCOC1	REAL300020289863	1	52	-1.0	-48.71	389.05	5.35	-43.36
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289864	0	54	-1.0	-39.62	413.86	6.15	-33.47
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289864	1	54	-1.0	-39.64	413.92	6.16	-33.48
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289865	0	51	-1.0	-45.18	390.32	6.23	-38.95
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289865	1	51	-1.0	-45.14	390.38	6.26	-38.88
CCCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289866	0	59	-1.0	-44.45	419.90	7.92	-36.53
CCCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289866	1	59	-1.0	-44.48	419.95	7.94	-36.54
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289867	0	56	-1.0	-41.45	413.84	8.65	-32.80
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289867	1	56	-1.0	-41.47	413.89	8.69	-32.78
CNC(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289868	0	50	-1.0	-49.26	395.47	3.26	-46.00
CNC(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289868	1	50	-1.0	-49.19	395.53	3.28	-45.91
CNC(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289869	0	47	-1.0	-49.49	379.90	2.68	-46.81
CNC(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289869	1	47	-1.0	-49.53	379.96	2.71	-46.82
CN(CC1=CSC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289870	0	47	-1.0	-42.64	385.87	6.63	-36.01
CN(CC1=CSC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289870	1	47	-1.0	-42.61	385.92	6.65	-35.96
CN(CC1=CSC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289871	0	44	-1.0	-49.43	361.68	5.98	-43.45
CN(CC1=CSC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289871	1	44	-1.0	-49.43	361.75	5.99	-43.44
CS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289872	0	49	-1.0	-46.85	393.51	1.94	-44.91
CS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289872	1	49	-1.0	-46.85	393.58	1.97	-44.88
C1=CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)C=N1	REAL300020289873	0	51	-1.0	-54.12	395.09	4.11	-50.01
C1=CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)C=N1	REAL300020289873	1	51	-1.0	-54.03	395.38	4.11	-49.92
C1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)C=C1	REAL300020289874	0	54	-1.0	-46.29	418.75	9.68	-36.61
C1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)C=C1	REAL300020289874	1	54	-1.0	-46.33	418.80	9.68	-36.65
C(CC1=NN=C(N2CCCCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289875	0	47	-1.0	-42.40	360.53	6.21	-36.19
C(CC1=NN=C(N2CCCCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289875	1	47	-1.0	-42.41	360.59	6.23	-36.18
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC2)N1CC1CCOC1	REAL300020289876	0	44	-1.0	-51.27	333.84	5.68	-45.59
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC2)N1CC1CCOC1	REAL300020289876	1	44	-1.0	-51.31	333.90	5.71	-45.60
C1=CC(C2=NN=C(N3CCCCC3)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020289877	0	51	-1.0	-44.94	395.09	8.27	-36.67
C1=CC(C2=NN=C(N3CCCCC3)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020289877	1	51	-1.0	-44.91	395.17	8.26	-36.65
NC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289878	0	54	-1.0	-46.77	418.77	4.20	-42.57
NC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289878	1	54	-1.0	-46.78	418.83	4.21	-42.57
NC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289879	0	51	-1.0	-55.92	384.38	3.14	-52.78
NC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289879	1	51	-1.0	-55.93	384.44	3.14	-52.79
CN(CCOCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289880	0	54	-1.0	-42.60	421.22	7.03	-35.57
CN(CCOCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289880	1	54	-1.0	-42.59	421.28	7.05	-35.54
CN(CCOCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289881	0	51	-1.0	-42.01	406.28	6.06	-35.95
CN(CCOCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289881	1	51	-1.0	-42.02	406.34	6.09	-35.93
COCCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289882	0	57	-1.0	-42.58	445.05	4.88	-37.70
COCCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289882	1	57	-1.0	-42.61	445.11	4.90	-37.71
COCCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289883	0	54	-1.0	-43.91	429.84	4.35	-39.56
COCCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289883	1	54	-1.0	-43.92	429.90	4.38	-39.54
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289884	0	54	-1.0	-47.31	419.78	9.52	-37.79
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289884	1	54	-1.0	-47.37	419.83	9.51	-37.86
C(CC1=NN=C(N2CCC3(CCOC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289885	0	52	-1.0	-43.25	394.37	5.08	-38.17
C(CC1=NN=C(N2CCC3(CCOC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289885	1	52	-1.0	-43.29	394.43	5.10	-38.19
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCOC3)C2)N1CC1CCOC1	REAL300020289886	0	49	-1.0	-44.02	372.87	4.29	-39.73
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCOC3)C2)N1CC1CCOC1	REAL300020289886	1	49	-1.0	-44.02	372.93	4.31	-39.71
CN(C[C@H]1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289887	0	51	-1.0	-44.97	390.89	5.02	-39.95
CN(C[C@H]1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289887	1	51	-1.0	-44.98	390.95	5.03	-39.95
CN(C[C@H]1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289888	0	48	-1.0	-42.41	372.10	5.38	-37.03
CN(C[C@H]1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289888	1	48	-1.0	-42.40	372.16	5.41	-36.99
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289889	0	54	-1.0	-39.70	409.45	5.89	-33.81
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289889	1	54	-1.0	-39.66	409.51	5.91	-33.75
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289890	0	51	-1.0	-42.20	391.42	5.68	-36.52
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289890	1	51	-1.0	-42.22	391.48	5.71	-36.51
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289891	0	52	-1.0	-40.66	405.27	3.82	-36.84
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289891	1	52	-1.0	-40.66	405.33	3.83	-36.83
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289892	0	49	-1.0	-45.99	381.68	3.88	-42.11
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289892	1	49	-1.0	-45.95	381.73	3.92	-42.03
C(CC1=NN=C(N2CCOC3(CCOC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289893	0	53	-1.0	-46.30	387.21	2.99	-43.31
C(CC1=NN=C(N2CCOC3(CCOC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289893	1	53	-1.0	-46.28	387.26	3.01	-43.27
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCOC3)C2)N1CC1CCOC1	REAL300020289894	0	50	-1.0	-45.50	381.78	2.87	-42.63
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCOC3)C2)N1CC1CCOC1	REAL300020289894	1	50	-1.0	-45.50	381.84	2.90	-42.60
FC(F)(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289895	0	45	-1.0	-52.02	366.64	4.13	-47.89
FC(F)(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289895	1	45	-1.0	-52.37	364.64	4.16	-48.21
CN(CC1=NC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289896	0	46	-1.0	-40.16	382.09	5.38	-34.78
CN(CC1=NC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289896	1	46	-1.0	-40.16	382.14	5.40	-34.76
CN(CC1=NC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289897	0	43	-1.0	-49.38	357.58	4.40	-44.98
CN(CC1=NC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289897	1	43	-1.0	-49.44	357.52	4.40	-45.04
CCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289898	0	54	-1.0	-43.70	406.40	5.24	-38.46
CCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289898	1	54	-1.0	-43.73	406.46	5.25	-38.48
CCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289899	0	51	-1.0	-44.75	385.09	4.43	-40.32
CCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289899	1	51	-1.0	-44.75	385.15	4.46	-40.29
CN(CC1CCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289900	0	51	-1.0	-44.25	392.49	4.85	-39.40
CN(CC1CCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289900	1	51	-1.0	-44.26	392.54	4.86	-39.40
CN(CC1CCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289901	0	48	-1.0	-47.43	369.45	5.20	-42.23
CN(CC1CCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289901	1	48	-1.0	-47.48	369.50	5.22	-42.26
CC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)=C1	REAL300020289902	0	54	-1.0	-51.00	392.50	7.86	-43.14
CC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)=C1	REAL300020289902	1	54	-1.0	-50.95	392.49	7.89	-43.06
CCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289903	0	57	-1.0	-44.78	444.18	5.74	-39.04
CCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289903	1	57	-1.0	-44.79	444.23	5.75	-39.04
CCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289904	0	54	-1.0	-44.82	430.17	5.10	-39.72
CCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289904	1	54	-1.0	-44.79	430.23	5.13	-39.66
C1=COC(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCO2)=C1	REAL300020289905	0	49	-1.0	-48.75	388.65	5.92	-42.83
C1=COC(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCO2)=C1	REAL300020289905	1	49	-1.0	-48.76	388.71	5.95	-42.81
CN(CCCOC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289906	0	54	-1.0	-42.66	431.63	7.75	-34.91
CN(CCCOC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289906	1	54	-1.0	-42.66	431.69	7.78	-34.88
N#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289907	0	48	-1.0	-46.52	380.08	6.57	-39.95
N#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289907	1	48	-1.0	-46.57	380.13	6.58	-39.99
N#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289908	0	45	-1.0	-53.80	350.03	6.03	-47.77
N#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289908	1	45	-1.0	-53.79	350.10	6.03	-47.76
O=C1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCN12	REAL300020289909	0	52	-1.0	-47.66	402.95	5.62	-42.04
O=C1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCN12	REAL300020289909	1	52	-1.0	-47.68	403.00	5.64	-42.04
O=C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCN12	REAL300020289910	0	49	-1.0	-51.28	368.86	3.89	-47.39
O=C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCN12	REAL300020289910	1	49	-1.0	-51.27	368.93	3.91	-47.36
NC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289911	0	49	-1.0	-45.73	388.05	1.73	-44.00
NC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289911	1	49	-1.0	-45.73	388.11	1.74	-43.99
NC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289912	0	46	-1.0	-48.50	370.00	1.52	-46.98
NC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289912	1	46	-1.0	-48.52	370.05	1.55	-46.97
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289913	0	51	-1.0	-44.07	369.88	4.31	-39.76
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289913	1	51	-1.0	-44.12	369.94	4.33	-39.79
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020289914	0	48	-1.0	-41.32	368.87	5.20	-36.12
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020289914	1	48	-1.0	-41.32	368.93	5.22	-36.10
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289915	0	53	-1.0	-39.21	401.97	8.04	-31.17
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289915	1	53	-1.0	-39.23	402.03	8.05	-31.18
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289916	0	50	-1.0	-45.32	377.96	7.38	-37.94
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289916	1	50	-1.0	-45.32	378.01	7.40	-37.92
CN(CC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289917	0	43	-1.0	-43.70	349.48	5.48	-38.22
CN(CC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289917	1	43	-1.0	-43.68	349.54	5.49	-38.19
CN(CC(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289918	0	40	-1.0	-42.76	335.38	4.71	-38.05
CN(CC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289918	1	40	-1.0	-42.79	335.44	4.74	-38.05
CN(CCCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289919	0	56	-1.0	-42.42	444.65	9.73	-32.69
CN(CCCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289919	1	56	-1.0	-42.42	444.70	9.75	-32.67
CC(C#N)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289920	0	47	-1.0	-44.95	372.40	6.73	-38.22
CC(C#N)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289920	1	47	-1.0	-44.93	372.46	6.74	-38.19
CC(C#N)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289921	0	44	-1.0	-44.43	358.29	6.09	-38.34
CC(C#N)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289921	1	44	-1.0	-44.39	358.35	6.11	-38.28
CC(C#N)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289922	0	51	-1.0	-47.22	415.51	8.43	-38.79
CC(C#N)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289922	1	51	-1.0	-47.19	415.59	8.41	-38.78
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1CC1CCOC1	REAL300020289923	0	57	0.0	-58.30	421.21	8.24	-50.06
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1CC1CCOC1	REAL300020289923	1	57	0.0	-58.32	421.28	8.27	-50.05
NC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289924	0	54	-1.0	-43.37	419.60	3.76	-39.61
NC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289924	1	54	-1.0	-43.40	419.65	3.77	-39.63
NC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289925	0	51	-1.0	-47.53	396.88	2.49	-45.04
NC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289925	1	51	-1.0	-47.58	396.94	2.52	-45.06
CN1N=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=CC1=O	REAL300020289926	0	50	-1.0	-52.43	391.36	4.53	-47.90
CN1N=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=CC1=O	REAL300020289926	1	50	-1.0	-52.45	391.31	4.52	-47.93
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCOCC3)C2)N1CC1CCOC1	REAL300020289927	0	53	-1.0	-52.22	394.04	4.40	-47.82
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCOCC3)C2)N1CC1CCOC1	REAL300020289927	1	53	-1.0	-52.20	393.86	4.41	-47.79
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2(CCOC2)O1	REAL300020289928	0	53	-1.0	-44.77	399.73	4.60	-40.17
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2(CCOC2)O1	REAL300020289928	1	53	-1.0	-44.78	399.79	4.62	-40.16
CN(CCC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289929	0	59	-1.0	-43.35	438.78	8.72	-34.63
CN(CCC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289929	1	59	-1.0	-43.32	438.84	8.73	-34.59
CN(CCC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289930	0	56	-1.0	-46.21	418.40	8.51	-37.70
CN(CCC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289930	1	56	-1.0	-46.21	418.46	8.53	-37.68
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1C	REAL300020289931	0	54	-1.0	-50.93	418.80	7.08	-43.85
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1C	REAL300020289931	1	54	-1.0	-50.98	418.86	7.09	-43.89
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289932	0	54	-1.0	-43.73	414.29	8.59	-35.14
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289932	1	54	-1.0	-43.69	414.35	8.61	-35.08
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCN1	REAL300020289933	0	45	-1.0	-43.87	351.49	2.40	-41.47
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCN1	REAL300020289933	1	45	-1.0	-43.87	351.55	2.41	-41.46
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCN1	REAL300020289934	0	42	-1.0	-48.19	330.15	1.66	-46.53
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCN1	REAL300020289934	1	42	-1.0	-48.17	330.10	1.63	-46.54
O=C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)CCN1	REAL300020289935	0	49	-1.0	-48.04	388.83	4.07	-43.97
O=C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)CCN1	REAL300020289935	1	49	-1.0	-47.98	388.88	4.06	-43.92
CCNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289936	0	53	-1.0	-49.72	409.50	4.06	-45.66
CCNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289936	1	53	-1.0	-49.76	409.56	4.09	-45.67
CNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289937	0	54	-1.0	-48.95	417.73	4.45	-44.50
CNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289937	1	54	-1.0	-48.97	417.79	4.47	-44.50
CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289938	0	51	-1.0	-58.17	387.69	3.91	-54.26
CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289938	1	51	-1.0	-58.21	387.75	3.92	-54.29
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289939	0	53	-1.0	-45.73	414.62	6.92	-38.81
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289939	1	53	-1.0	-45.74	414.67	6.93	-38.81
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289940	0	50	-1.0	-54.02	384.57	6.38	-47.64
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289940	1	50	-1.0	-54.06	384.64	6.38	-47.68
CN(CCOC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289941	0	54	-1.0	-43.25	423.04	8.10	-35.15
CN(CCOC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289941	1	54	-1.0	-43.28	423.10	8.12	-35.16
CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289942	0	51	-1.0	-42.97	409.02	7.05	-35.92
CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289942	1	51	-1.0	-42.95	409.08	7.08	-35.87
CCOC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289943	0	54	-1.0	-50.24	422.87	7.26	-42.98
CCOC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289943	1	54	-1.0	-50.26	422.81	7.26	-43.00
COC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289944	0	54	-1.0	-41.46	418.62	7.57	-33.89
COC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289944	1	54	-1.0	-41.52	418.68	7.57	-33.95
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289945	0	51	-1.0	-47.41	402.21	7.31	-40.10
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289945	1	51	-1.0	-47.44	402.25	7.33	-40.11
CCC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289946	0	56	-1.0	-42.70	439.35	9.11	-33.59
CCC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289946	1	56	-1.0	-42.70	439.40	9.13	-33.57
CCC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020289947	0	53	-1.0	-50.00	414.41	8.47	-41.53
CCC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020289947	1	53	-1.0	-49.96	414.34	8.47	-41.49
CC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289948	0	54	-1.0	-43.41	426.49	8.18	-35.23
CC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289948	1	54	-1.0	-43.35	426.55	8.21	-35.14
CS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289949	0	49	-1.0	-46.85	393.51	1.94	-44.91
CS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289949	1	49	-1.0	-46.85	393.58	1.97	-44.88
C1=COC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)=C1	REAL300020289950	0	53	-1.0	-45.86	412.80	4.80	-41.06
C1=COC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)=C1	REAL300020289950	1	53	-1.0	-45.89	412.87	4.84	-41.05
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289951	0	51	-1.0	-41.17	396.28	5.73	-35.44
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289951	1	51	-1.0	-41.13	396.34	5.75	-35.38
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289952	0	48	-1.0	-41.82	380.45	4.94	-36.88
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289952	1	48	-1.0	-41.83	380.57	4.96	-36.87
COCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289953	0	56	-1.0	-44.24	429.09	3.56	-40.68
COCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289953	1	56	-1.0	-44.31	429.14	3.58	-40.73
COCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289953	1	57	0.0	-71.42	429.69	5.78	-65.64
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289954	0	53	-1.0	-45.17	406.62	2.84	-42.33
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289954	1	53	-1.0	-45.21	406.69	2.86	-42.35
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289954	1	54	0.0	-67.25	408.19	5.01	-62.24
COC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289955	0	53	-1.0	-50.36	415.18	6.56	-43.80
COC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289955	1	53	-1.0	-50.32	415.25	6.59	-43.73
COC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289956	0	50	-1.0	-48.69	397.14	5.72	-42.97
COC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289956	1	50	-1.0	-48.73	397.20	5.74	-42.99
CCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289957	0	50	-1.0	-40.57	389.88	5.01	-35.56
CCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289957	1	50	-1.0	-40.57	389.94	5.02	-35.55
CCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289958	0	47	-1.0	-41.90	374.67	4.48	-37.42
CCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289958	1	47	-1.0	-41.94	374.73	4.51	-37.43
CCOCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289959	0	54	-1.0	-42.45	430.51	8.04	-34.41
CCOCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289959	1	54	-1.0	-42.42	430.55	8.02	-34.40
NC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289960	0	54	-1.0	-58.67	406.78	3.84	-54.83
NC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289960	1	54	-1.0	-58.72	406.84	3.84	-54.88
CN(CCC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289961	0	57	-1.0	-41.56	429.29	7.08	-34.48
CN(CCC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289961	1	57	-1.0	-41.55	429.34	7.09	-34.46
CN(CCC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289962	0	54	-1.0	-41.91	413.58	5.95	-35.96
CN(CCC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289962	1	54	-1.0	-41.98	413.64	5.97	-36.01
C(CC1=NN=C(N2CCOC3(CCCC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289963	0	55	-1.0	-44.58	411.10	6.12	-38.46
C(CC1=NN=C(N2CCOC3(CCCC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289963	1	55	-1.0	-44.56	411.17	6.13	-38.43
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCCC3)C2)N1CC1CCOC1	REAL300020289964	0	52	-1.0	-51.31	383.65	5.54	-45.77
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCCC3)C2)N1CC1CCOC1	REAL300020289964	1	52	-1.0	-51.25	384.51	5.53	-45.72
C1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)C=C1	REAL300020289965	0	54	-1.0	-44.29	418.29	8.80	-35.49
C1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)C=C1	REAL300020289965	1	54	-1.0	-44.31	418.35	8.82	-35.49
CN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289966	0	49	-1.0	-53.18	399.50	2.50	-50.68
CN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289966	1	49	-1.0	-53.14	399.55	2.52	-50.62
CN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289967	0	46	-1.0	-53.29	383.92	1.94	-51.35
CN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289967	1	46	-1.0	-53.31	383.98	1.97	-51.34
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC(C3CCCO3)C2)N1CC1CCOC1	REAL300020289968	0	53	-1.0	-47.97	408.23	4.38	-43.59
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC(C3CCCO3)C2)N1CC1CCOC1	REAL300020289968	1	53	-1.0	-47.95	408.29	4.39	-43.56
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289969	0	50	-1.0	-41.87	385.72	7.19	-34.68
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289969	1	50	-1.0	-41.89	385.78	7.20	-34.69
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289970	0	47	-1.0	-51.68	352.86	6.26	-45.42
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289970	1	47	-1.0	-51.69	352.91	6.27	-45.42
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020289971	0	54	-1.0	-45.83	411.63	8.55	-37.28
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020289971	1	54	-1.0	-45.82	411.70	8.54	-37.28
C(CC1=NN=C(N2CCC3(CCC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020289972	0	51	-1.0	-41.97	390.26	7.77	-34.20
C(CC1=NN=C(N2CCC3(CCC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020289972	1	51	-1.0	-41.98	390.32	7.79	-34.19
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCC3)C2)N1CC1CCOC1	REAL300020289973	0	48	-1.0	-48.00	363.46	7.09	-40.91
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCC3)C2)N1CC1CCOC1	REAL300020289973	1	48	-1.0	-48.02	363.52	7.11	-40.91
CN(CCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289974	0	54	-1.0	-43.08	434.32	7.55	-35.53
CN(CCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289974	1	54	-1.0	-43.10	434.38	7.57	-35.53
N#CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289975	0	45	-1.0	-49.99	366.44	5.72	-44.27
N#CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289975	1	45	-1.0	-49.98	366.49	5.74	-44.24
N#CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289976	0	42	-1.0	-56.16	336.76	5.20	-50.96
N#CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289976	1	42	-1.0	-56.15	336.81	5.20	-50.95
CC(C)COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289977	0	57	-1.0	-41.77	441.32	7.34	-34.43
CC(C)COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289977	1	57	-1.0	-41.81	441.38	7.35	-34.46
CC(C)COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020289978	0	54	-1.0	-52.18	408.46	6.41	-45.77
CC(C)COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020289978	1	54	-1.0	-52.20	408.51	6.42	-45.78
CC(C)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289979	0	59	-1.0	-42.38	447.59	9.26	-33.12
CC(C)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289979	1	59	-1.0	-42.36	447.72	9.28	-33.08
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289980	0	59	-1.0	-41.91	438.76	8.69	-33.22
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289980	1	59	-1.0	-41.92	438.82	8.70	-33.22
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289981	0	56	-1.0	-42.96	417.29	7.94	-35.02
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289981	1	56	-1.0	-43.02	417.35	7.96	-35.06
CC(C)OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289982	0	57	-1.0	-41.78	430.70	6.75	-35.03
CC(C)OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289982	1	57	-1.0	-41.80	430.75	6.76	-35.04
CC(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289983	0	54	-1.0	-41.63	423.00	6.67	-34.96
CC(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289983	1	54	-1.0	-41.67	423.13	6.69	-34.98
CN(CC1=COC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289984	0	47	-1.0	-43.81	377.75	5.68	-38.13
CN(CC1=COC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289984	1	47	-1.0	-43.79	377.81	5.69	-38.10
CN(CC1=COC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289985	0	44	-1.0	-50.48	352.76	5.02	-45.46
CN(CC1=COC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289985	1	44	-1.0	-50.42	352.82	5.01	-45.41
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289986	0	59	0.0	-68.64	425.60	7.51	-61.13
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289986	1	59	0.0	-68.59	425.66	7.53	-61.06
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289987	0	56	0.0	-58.98	414.82	6.98	-52.00
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289987	1	56	0.0	-59.03	414.88	7.01	-52.02
CN(CCC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289988	0	50	-1.0	-49.88	402.08	8.24	-41.64
CN(CCC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289988	1	50	-1.0	-49.93	402.15	8.28	-41.65
CN(CC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289989	0	52	-1.0	-41.16	392.41	7.42	-33.74
CN(CC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289989	1	52	-1.0	-41.16	392.47	7.43	-33.73
CN(CC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289990	0	49	-1.0	-40.91	368.52	6.92	-33.99
CN(CC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289990	1	49	-1.0	-40.96	368.58	6.94	-34.02
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020289991	0	56	-1.0	-45.07	418.76	9.32	-35.75
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020289991	1	56	-1.0	-45.02	418.83	9.31	-35.71
CN(CC1CCCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289992	0	54	-1.0	-43.99	408.79	6.13	-37.86
CN(CC1CCCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289992	1	54	-1.0	-43.94	408.85	6.14	-37.80
CN(CC1CCCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289993	0	51	-1.0	-47.85	388.89	6.10	-41.75
CN(CC1CCCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289993	1	51	-1.0	-47.85	388.96	6.11	-41.74
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289994	0	51	-1.0	-56.20	406.05	3.80	-52.40
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289994	1	51	-1.0	-56.16	405.99	3.80	-52.36
CCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289995	0	61	-1.0	-40.72	470.77	9.85	-30.87
CCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289995	1	61	-1.0	-40.70	470.83	9.87	-30.83
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=CO1	REAL300020289996	0	50	-1.0	-41.38	395.51	7.21	-34.17
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=CO1	REAL300020289996	1	50	-1.0	-41.42	395.57	7.22	-34.20
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=CO1	REAL300020289997	0	47	-1.0	-50.39	374.40	5.80	-44.59
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=CO1	REAL300020289997	1	47	-1.0	-50.38	374.34	5.80	-44.58
CC(C)(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020289998	0	57	-1.0	-41.59	430.90	7.17	-34.42
CC(C)(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020289998	1	57	-1.0	-41.59	430.95	7.20	-34.39
CN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020289999	0	50	-1.0	-39.88	405.13	8.53	-31.35
CN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020289999	1	50	-1.0	-39.89	405.19	8.54	-31.35
CN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290000	0	47	-1.0	-49.12	377.92	7.09	-42.03
CN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290000	1	47	-1.0	-49.15	377.86	7.09	-42.06
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290001	0	53	-1.0	-41.12	407.74	8.90	-32.22
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290001	1	53	-1.0	-41.10	407.80	8.90	-32.20
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290002	0	50	-1.0	-49.98	389.59	7.63	-42.35
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290002	1	50	-1.0	-49.95	389.61	7.63	-42.32
CC(C)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020290003	0	56	-1.0	-43.79	432.86	9.23	-34.56
CC(C)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020290003	1	56	-1.0	-43.82	432.92	9.25	-34.57
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290004	0	47	-1.0	-48.86	388.24	7.54	-41.32
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290004	1	47	-1.0	-48.95	388.18	7.54	-41.41
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290005	0	55	-1.0	-42.97	431.88	8.08	-34.89
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290005	1	55	-1.0	-42.96	431.93	8.10	-34.86
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020290006	0	56	0.0	-75.31	402.18	6.47	-68.84
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020290006	1	56	0.0	-69.90	409.81	7.21	-62.69
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020290006	1	55	-1.0	-40.21	408.73	5.12	-35.09
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020290006	1	55	-1.0	-40.21	408.79	5.13	-35.08
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020290007	0	53	0.0	-58.23	397.51	6.66	-51.57
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020290007	1	53	0.0	-65.85	386.33	6.42	-59.43
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020290007	1	53	0.0	-58.20	397.46	6.64	-51.56
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020290007	1	53	0.0	-65.85	386.29	6.40	-59.45
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1C	REAL300020290007	1	52	-1.0	-44.16	389.74	4.08	-40.08
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1C	REAL300020290007	1	52	-1.0	-44.13	389.80	4.11	-40.02
CN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290008	0	54	-1.0	-42.63	410.61	6.50	-36.13
CN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290008	1	54	-1.0	-42.62	410.66	6.51	-36.11
CN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290009	0	51	-1.0	-48.23	385.06	5.52	-42.71
CN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290009	1	51	-1.0	-48.23	385.12	5.54	-42.69
C=C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290010	0	48	-1.0	-43.06	370.35	6.49	-36.57
C=C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290010	1	48	-1.0	-43.09	370.40	6.50	-36.59
C=C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290011	0	45	-1.0	-41.17	353.36	6.50	-34.67
C=C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290011	1	45	-1.0	-41.15	353.29	6.47	-34.68
C=C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020290012	0	52	-1.0	-41.76	402.23	9.38	-32.38
C=C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020290012	1	52	-1.0	-41.76	402.25	9.38	-32.38
CCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290013	0	52	-1.0	-40.25	390.41	7.83	-32.42
CCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290013	1	52	-1.0	-40.23	390.47	7.84	-32.39
CCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290014	0	49	-1.0	-40.93	375.04	7.21	-33.72
CCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290014	1	49	-1.0	-40.93	375.11	7.24	-33.69
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020290015	0	56	-1.0	-43.82	434.86	9.43	-34.39
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020290015	1	56	-1.0	-43.74	434.88	9.41	-34.33
C1=COC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C2)=C1	REAL300020290016	0	51	-1.0	-43.30	405.70	7.59	-35.71
C1=COC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C2)=C1	REAL300020290016	1	51	-1.0	-43.33	405.76	7.60	-35.73
C1=COC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)=C1	REAL300020290017	0	48	-1.0	-48.98	383.90	7.07	-41.91
C1=COC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)=C1	REAL300020290017	1	48	-1.0	-49.02	383.96	7.09	-41.93
FC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)C=C1	REAL300020290018	0	51	-1.0	-48.91	401.50	8.73	-40.18
FC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)C=C1	REAL300020290018	1	51	-1.0	-48.93	401.56	8.75	-40.18
FC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)=C1	REAL300020290019	0	51	-1.0	-52.66	377.50	7.26	-45.40
FC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)=C1	REAL300020290019	1	51	-1.0	-52.69	377.51	7.29	-45.40
CC(C)(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290020	0	59	-1.0	-42.90	428.78	8.28	-34.62
CC(C)(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290020	1	59	-1.0	-42.90	428.84	8.29	-34.61
CC(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290021	0	56	-1.0	-50.54	398.74	7.74	-42.80
CC(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290021	1	56	-1.0	-50.54	398.80	7.74	-42.80
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290022	0	47	-1.0	-41.86	365.34	6.49	-35.37
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290022	1	47	-1.0	-41.89	365.40	6.50	-35.39
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290023	0	44	-1.0	-51.88	332.48	5.56	-46.32
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290023	1	44	-1.0	-51.87	332.53	5.57	-46.30
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020290024	0	51	-1.0	-43.72	406.80	7.97	-35.75
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020290024	1	51	-1.0	-43.68	406.86	7.96	-35.72
C(CC1=NN=C(N2CCC3(CCCC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290025	0	54	-1.0	-41.70	399.85	8.16	-33.54
C(CC1=NN=C(N2CCC3(CCCC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290025	1	54	-1.0	-41.66	399.90	8.17	-33.49
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCC3)C2)N1CC1CCOC1	REAL300020290026	0	51	-1.0	-46.64	378.12	7.62	-39.02
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCCC3)C2)N1CC1CCOC1	REAL300020290026	1	51	-1.0	-46.68	378.17	7.63	-39.05
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290027	0	54	-1.0	-43.88	414.36	5.66	-38.22
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290027	1	54	-1.0	-43.89	414.43	5.68	-38.21
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290028	0	51	-1.0	-45.08	392.64	5.83	-39.25
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290028	1	51	-1.0	-45.13	392.69	5.85	-39.28
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290029	0	54	-1.0	-51.93	387.07	5.02	-46.91
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290029	1	54	-1.0	-51.99	387.12	5.03	-46.96
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290030	0	50	-1.0	-53.75	405.44	3.30	-50.45
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290030	1	50	-1.0	-53.78	405.49	3.32	-50.46
CS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290031	0	47	-1.0	-53.41	380.24	2.04	-51.37
CS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290031	1	47	-1.0	-53.41	380.29	2.07	-51.34
CC1(C#N)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290032	0	51	-1.0	-44.70	403.50	7.44	-37.26
CC1(C#N)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290032	1	51	-1.0	-44.67	403.56	7.45	-37.22
CC1(C#N)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290033	0	48	-1.0	-44.03	378.64	6.82	-37.21
CC1(C#N)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290033	1	48	-1.0	-44.07	378.71	6.84	-37.23
C(CC1=NN=C(N2CCOC3(CCC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290034	0	52	-1.0	-45.00	393.19	5.45	-39.55
C(CC1=NN=C(N2CCOC3(CCC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290034	1	52	-1.0	-45.01	393.24	5.47	-39.54
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCC3)C2)N1CC1CCOC1	REAL300020290035	0	49	-1.0	-44.25	375.67	4.76	-39.49
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCC3)C2)N1CC1CCOC1	REAL300020290035	1	49	-1.0	-44.29	375.73	4.78	-39.51
CCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290036	0	54	-1.0	-40.52	403.35	6.50	-34.02
CCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290036	1	54	-1.0	-40.53	403.41	6.52	-34.01
CCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290037	0	51	-1.0	-41.13	385.48	5.88	-35.25
CCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290037	1	51	-1.0	-41.12	385.54	5.90	-35.22
CS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290038	0	50	-1.0	-50.85	407.25	3.29	-47.56
CS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290038	1	50	-1.0	-50.89	407.38	3.30	-47.59
CC(C)OCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290039	0	55	-1.0	-51.43	420.25	4.67	-46.76
CC(C)OCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290039	1	55	-1.0	-51.32	421.09	4.66	-46.66
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290040	0	52	-1.0	-52.74	420.96	3.38	-49.36
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290040	1	52	-1.0	-52.74	421.02	3.40	-49.34
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290041	0	49	-1.0	-52.78	405.39	2.83	-49.95
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290041	1	49	-1.0	-52.79	405.45	2.85	-49.94
C(CC1=NN=C(N2CCC3(CCO3)CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290042	0	52	-1.0	-45.45	398.64	5.44	-40.01
C(CC1=NN=C(N2CCC3(CCO3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290042	1	52	-1.0	-45.47	398.70	5.46	-40.01
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCO3)CC2)N1CC1CCOC1	REAL300020290043	0	49	-1.0	-47.96	376.91	4.73	-43.23
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCO3)CC2)N1CC1CCOC1	REAL300020290043	1	49	-1.0	-47.98	376.96	4.75	-43.23
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1=NC=CS1	REAL300020290044	0	49	-1.0	-56.91	394.36	5.78	-51.13
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1=NC=CS1	REAL300020290044	1	49	-1.0	-56.94	394.43	5.80	-51.14
O=C1OCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCN12	REAL300020290045	0	50	-1.0	-51.06	387.17	4.32	-46.74
O=C1OCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCN12	REAL300020290045	1	50	-1.0	-51.02	387.23	4.34	-46.68
O=C1OCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCN12	REAL300020290046	0	47	-1.0	-55.04	366.71	4.06	-50.98
O=C1OCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCN12	REAL300020290046	1	47	-1.0	-55.04	366.62	4.06	-50.98
FC(F)(F)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290047	0	47	-1.0	-45.11	376.20	6.21	-38.90
FC(F)(F)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290047	1	47	-1.0	-45.16	376.26	6.24	-38.92
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290048	0	51	-1.0	-44.51	407.08	7.54	-36.97
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290048	1	51	-1.0	-44.48	407.02	7.52	-36.96
CC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290049	0	54	-1.0	-47.47	420.40	4.30	-43.17
CC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290049	1	54	-1.0	-47.49	420.47	4.33	-43.16
CC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290050	0	51	-1.0	-46.53	402.35	3.44	-43.09
CC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290050	1	51	-1.0	-46.59	402.41	3.47	-43.12
CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290051	0	53	-1.0	-45.40	415.22	8.54	-36.86
CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290051	1	53	-1.0	-45.37	415.28	8.56	-36.81
CN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290052	0	50	-1.0	-42.18	401.65	8.16	-34.02
CN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290052	1	50	-1.0	-42.21	401.71	8.19	-34.02
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1CC1CCOC1	REAL300020290053	0	57	0.0	-65.05	420.47	7.77	-57.28
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1CC1CCOC1	REAL300020290053	1	57	0.0	-65.02	420.53	7.80	-57.22
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290054	0	56	0.0	-68.73	414.10	7.22	-61.51
CC(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290054	1	55	-1.0	-42.19	408.45	4.77	-37.42
CC(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290054	1	55	-1.0	-42.19	408.51	4.79	-37.40
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290055	0	53	0.0	-61.29	398.63	6.55	-54.74
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290055	1	53	0.0	-61.22	398.57	6.53	-54.69
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290055	1	52	-1.0	-42.51	386.14	4.07	-38.44
CC(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290055	1	52	-1.0	-42.50	386.21	4.10	-38.40
COCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290056	0	47	-1.0	-40.60	368.05	4.04	-36.56
COCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290056	1	47	-1.0	-40.60	368.11	4.06	-36.54
COCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290057	0	44	-1.0	-42.09	352.82	3.52	-38.57
COCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290057	1	44	-1.0	-42.10	352.87	3.54	-38.56
COCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020290058	0	51	-1.0	-42.64	408.65	7.07	-35.57
COCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020290058	1	51	-1.0	-42.65	408.69	7.07	-35.58
CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290059	0	53	-1.0	-39.98	401.45	6.55	-33.43
CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290059	1	53	-1.0	-39.96	401.50	6.57	-33.39
CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290060	0	50	-1.0	-43.02	380.18	5.83	-37.19
CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290060	1	50	-1.0	-43.12	380.24	5.86	-37.26
CN(CC1=CC=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290061	0	49	-1.0	-40.61	391.53	6.33	-34.28
CN(CC1=CC=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290061	1	49	-1.0	-40.64	391.59	6.34	-34.30
CN(CC1=CC=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290062	0	46	-1.0	-43.10	373.02	6.17	-36.93
CN(CC1=CC=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290062	1	46	-1.0	-43.11	372.96	6.14	-36.97
C(CC1=NN=C(N2CCCCCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290063	0	50	-1.0	-43.54	372.32	6.51	-37.03
C(CC1=NN=C(N2CCCCCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290063	1	50	-1.0	-43.51	372.38	6.52	-36.99
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCC2)N1CC1CCOC1	REAL300020290064	0	47	-1.0	-42.05	351.86	6.51	-35.54
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCC2)N1CC1CCOC1	REAL300020290064	1	47	-1.0	-42.06	351.91	6.53	-35.53
C1=CC(C2=NN=C(N3CCCCCC3)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020290065	0	54	-1.0	-42.57	406.56	8.90	-33.67
C1=CC(C2=NN=C(N3CCCCCC3)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020290065	1	54	-1.0	-42.55	406.52	8.90	-33.65
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290066	0	53	-1.0	-43.25	412.91	8.25	-35.00
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290066	1	53	-1.0	-43.24	412.96	8.27	-34.97
CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290067	0	50	-1.0	-46.36	389.55	8.06	-38.30
CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290067	1	50	-1.0	-46.31	389.49	8.04	-38.27
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1=CC=CC=C1	REAL300020290068	0	47	-1.0	-45.38	373.31	7.89	-37.49
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1=CC=CC=C1	REAL300020290068	1	47	-1.0	-45.42	373.37	7.91	-37.51
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1=CC=CC=C1	REAL300020290069	0	44	-1.0	-47.34	356.02	7.38	-39.96
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1=CC=CC=C1	REAL300020290069	1	44	-1.0	-47.40	355.94	7.35	-40.05
C(CC1=NN=C(N2CCCOCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290070	0	48	-1.0	-40.60	374.38	4.79	-35.81
C(CC1=NN=C(N2CCCOCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290070	1	48	-1.0	-40.62	374.44	4.80	-35.82
C(C1=N[N-]N=N1)C1=NN=C(N2CCCOCC2)N1CC1CCOC1	REAL300020290071	0	45	-1.0	-49.65	343.53	3.70	-45.95
C(C1=NN=N[N-]1)C1=NN=C(N2CCCOCC2)N1CC1CCOC1	REAL300020290071	1	45	-1.0	-49.69	343.44	3.70	-45.99
C1=CC(C2=NN=C(N3CCCOCC3)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020290072	0	52	-1.0	-43.76	396.10	6.81	-36.95
C1=CC(C2=NN=C(N3CCCOCC3)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020290072	1	52	-1.0	-43.76	396.81	6.72	-37.04
COC1=CC=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020290073	0	48	-1.0	-43.45	382.15	7.35	-36.10
COC1=CC=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020290073	1	48	-1.0	-43.39	382.09	7.34	-36.05
COC1=CC=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020290074	0	45	-1.0	-43.44	364.92	6.76	-36.68
COC1=CC=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020290074	1	45	-1.0	-43.46	364.85	6.74	-36.72
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCSC1	REAL300020290075	0	48	-1.0	-40.66	370.93	6.79	-33.87
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCSC1	REAL300020290075	1	48	-1.0	-40.65	370.97	6.81	-33.84
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCSC1	REAL300020290076	0	45	-1.0	-52.49	350.92	5.42	-47.07
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCSC1	REAL300020290076	1	45	-1.0	-52.55	350.41	5.43	-47.12
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290077	0	59	0.0	-68.42	428.66	7.79	-60.63
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290077	1	59	0.0	-68.50	428.71	7.80	-60.70
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290078	0	56	0.0	-74.26	399.68	7.32	-66.94
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290078	1	56	0.0	-74.26	399.74	7.33	-66.93
COC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C12CCC2	REAL300020290079	0	55	-1.0	-52.89	410.32	6.23	-46.66
COC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C12CCC2	REAL300020290079	1	55	-1.0	-52.83	410.37	6.24	-46.59
C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCCC2=C1	REAL300020290080	0	54	-1.0	-43.88	407.35	9.09	-34.79
C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCCC2=C1	REAL300020290080	1	54	-1.0	-43.87	407.40	9.11	-34.76
C(CC1=NN=C(N2CCCCCCCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290081	0	56	-1.0	-45.22	394.03	7.34	-37.88
C(CC1=NN=C(N2CCCCCCCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290081	1	56	-1.0	-45.24	394.09	7.36	-37.88
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCCC2)N1CC1CCOC1	REAL300020290082	0	53	-1.0	-45.42	379.65	6.67	-38.75
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCCC2)N1CC1CCOC1	REAL300020290082	1	53	-1.0	-45.41	379.70	6.70	-38.71
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020290083	0	52	-1.0	-44.25	399.48	6.79	-37.46
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020290083	1	52	-1.0	-44.25	399.54	6.82	-37.43
C(CC1=NN=C(N2CCOCC3(CC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290084	0	52	-1.0	-42.22	386.77	6.39	-35.83
C(CC1=NN=C(N2CCOCC3(CC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290084	1	52	-1.0	-42.23	386.82	6.41	-35.82
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCC3(CC3)C2)N1CC1CCOC1	REAL300020290085	0	49	-1.0	-48.34	370.50	4.76	-43.58
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCC3(CC3)C2)N1CC1CCOC1	REAL300020290085	1	49	-1.0	-48.44	370.48	4.78	-43.66
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCC(C3CCC3)C2)N1CC1CCOC1	REAL300020290086	0	55	-1.0	-41.55	411.04	6.81	-34.74
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCC(C3CCC3)C2)N1CC1CCOC1	REAL300020290086	1	55	-1.0	-41.56	411.09	6.83	-34.73
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2=CC=CC=C2O1	REAL300020290087	0	52	-1.0	-43.52	407.11	7.66	-35.86
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2=CC=CC=C2O1	REAL300020290087	1	52	-1.0	-43.57	407.17	7.69	-35.88
C(CC1=NN=C(N2CCOCC3(CCC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290088	0	55	-1.0	-41.93	401.67	7.23	-34.70
C(CC1=NN=C(N2CCOCC3(CCC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290088	1	55	-1.0	-41.95	401.73	7.24	-34.71
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCC3(CCC3)C2)N1CC1CCOC1	REAL300020290089	0	52	-1.0	-41.51	384.42	6.36	-35.15
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCC3(CCC3)C2)N1CC1CCOC1	REAL300020290089	1	52	-1.0	-41.54	384.48	6.39	-35.15
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290090	0	59	0.0	-66.43	426.86	8.65	-57.78
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290090	1	59	0.0	-72.89	410.71	6.57	-66.32
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290090	1	59	0.0	-66.43	426.92	8.67	-57.76
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290090	1	59	0.0	-72.90	410.77	6.60	-66.30
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290091	0	56	0.0	-63.15	400.24	8.39	-54.76
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290091	1	56	0.0	-65.50	395.32	6.00	-59.50
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290091	1	56	0.0	-63.15	400.30	8.41	-54.74
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290091	1	56	0.0	-65.45	395.38	6.03	-59.42
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290092	0	59	0.0	-77.17	405.53	6.88	-70.29
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290092	1	59	0.0	-58.17	424.59	7.32	-50.85
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290092	1	59	0.0	-77.19	405.56	6.90	-70.29
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290092	1	59	0.0	-58.13	424.64	7.35	-50.78
CON(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290093	0	41	-1.0	-43.60	322.04	4.57	-39.03
CON(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290093	1	41	-1.0	-43.58	322.10	4.58	-39.00
CON(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020290094	0	45	-1.0	-42.80	361.01	7.23	-35.57
CON(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020290094	1	45	-1.0	-42.74	361.10	7.22	-35.52
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCCO1	REAL300020290095	0	51	-1.0	-40.38	387.52	5.48	-34.90
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCCO1	REAL300020290095	1	51	-1.0	-40.34	387.57	5.49	-34.85
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCCO1	REAL300020290096	0	48	-1.0	-41.65	370.57	5.31	-36.34
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCCO1	REAL300020290096	1	48	-1.0	-41.67	370.64	5.33	-36.34
CCC1C(=O)NCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290097	0	51	-1.0	-44.29	383.91	2.46	-41.83
CCC1C(=O)NCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290097	1	51	-1.0	-44.33	383.96	2.48	-41.85
CCC1C(=O)NCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290098	0	48	-1.0	-50.23	360.93	3.28	-46.95
CCC1C(=O)NCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290098	1	48	-1.0	-50.25	360.99	3.31	-46.94
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290099	0	51	-1.0	-58.83	382.91	2.42	-56.41
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290099	1	51	-1.0	-58.78	382.97	2.43	-56.35
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290100	0	48	-1.0	-58.14	368.06	1.85	-56.29
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290100	1	48	-1.0	-58.17	368.11	1.88	-56.29
COC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290101	0	48	-1.0	-44.86	372.51	3.45	-41.41
COC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290101	1	48	-1.0	-44.86	372.56	3.46	-41.40
COC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290102	0	45	-1.0	-48.16	354.24	3.70	-44.46
COC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290102	1	45	-1.0	-48.18	354.29	3.73	-44.45
COC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020290103	0	52	-1.0	-44.33	416.32	5.87	-38.46
COC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020290103	1	52	-1.0	-44.34	416.28	5.85	-38.49
CC1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290104	0	50	-1.0	-41.16	383.43	6.14	-35.02
CC1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290104	1	50	-1.0	-41.21	383.49	6.15	-35.06
CC1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290105	0	47	-1.0	-42.33	354.92	4.82	-37.51
CC1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290105	1	47	-1.0	-42.34	355.00	4.83	-37.51
CC1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020290106	0	54	-1.0	-44.71	417.54	8.10	-36.61
CC1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020290106	1	54	-1.0	-44.73	417.59	8.09	-36.64
CCC1CC(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290107	0	53	-1.0	-45.93	377.42	5.05	-40.88
CCC1CC(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290107	1	53	-1.0	-45.91	377.47	5.06	-40.85
CCC1CC(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290108	0	50	-1.0	-45.88	367.07	5.23	-40.65
CCC1CC(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290108	1	50	-1.0	-45.90	367.13	5.26	-40.64
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290109	0	48	-1.0	-45.02	370.28	4.27	-40.75
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290109	1	48	-1.0	-45.04	370.34	4.28	-40.76
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290110	0	45	-1.0	-50.41	348.63	3.74	-46.67
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290110	1	45	-1.0	-50.81	346.63	3.77	-47.04
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)CCO1	REAL300020290111	0	52	-1.0	-45.17	385.53	5.62	-39.55
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)CCO1	REAL300020290111	1	52	-1.0	-45.18	385.51	5.60	-39.58
CC(C)CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290112	0	59	-1.0	-39.97	440.18	7.84	-32.13
CC(C)CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290112	1	59	-1.0	-39.97	440.24	7.86	-32.11
CC(C)CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290113	0	56	-1.0	-44.01	417.83	7.20	-36.81
CC(C)CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290113	1	56	-1.0	-43.99	417.90	7.22	-36.77
CCCC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290114	0	59	-1.0	-40.37	422.72	7.04	-33.33
CCCC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290114	1	59	-1.0	-40.39	422.77	7.06	-33.33
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290115	0	56	-1.0	-45.13	385.53	6.19	-38.94
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290115	1	56	-1.0	-45.14	385.67	6.18	-38.96
COC1=CC=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020290116	0	48	-1.0	-45.05	386.28	7.50	-37.55
COC1=CC=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020290116	1	48	-1.0	-45.08	386.22	7.49	-37.59
COC1=CC=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020290117	0	45	-1.0	-47.27	360.21	7.09	-40.18
COC1=CC=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020290117	1	45	-1.0	-47.19	360.15	7.07	-40.12
CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020290118	0	44	-1.0	-44.13	353.82	7.03	-37.10
CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020290118	1	44	-1.0	-44.20	353.75	7.02	-37.18
CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020290119	0	41	-1.0	-47.27	341.05	6.49	-40.78
CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020290119	1	41	-1.0	-47.24	340.99	6.47	-40.77
CN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)=N1	REAL300020290120	0	48	-1.0	-46.68	393.63	9.10	-37.58
CN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)=N1	REAL300020290120	1	48	-1.0	-46.71	393.55	9.11	-37.60
CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=N1	REAL300020290121	0	44	-1.0	-46.35	353.87	6.00	-40.35
CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=N1	REAL300020290121	1	44	-1.0	-46.32	353.81	5.98	-40.34
CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=N1	REAL300020290122	0	41	-1.0	-51.86	333.66	5.62	-46.24
CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=N1	REAL300020290122	1	41	-1.0	-51.85	333.60	5.59	-46.26
CN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C=N1	REAL300020290123	0	48	-1.0	-48.54	386.61	8.05	-40.49
CN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C=N1	REAL300020290123	1	48	-1.0	-48.62	386.57	8.07	-40.55
CC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290124	0	53	-1.0	-43.14	393.97	7.09	-36.05
CC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290124	1	53	-1.0	-43.16	394.03	7.11	-36.05
CC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290125	0	50	-1.0	-42.66	374.40	5.64	-37.02
CC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290125	1	50	-1.0	-42.66	374.47	5.67	-36.99
O=C1CO[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@H]2N1	REAL300020290126	0	50	-1.0	-48.16	378.02	0.71	-47.45
O=C1CO[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@H]2N1	REAL300020290126	1	50	-1.0	-48.20	378.08	0.73	-47.47
CON1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290127	0	56	-1.0	-40.79	412.67	4.58	-36.21
CON1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290127	1	56	-1.0	-40.74	412.73	4.59	-36.15
CON1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290128	0	53	-1.0	-50.72	387.50	3.70	-47.02
CON1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290128	1	53	-1.0	-50.69	387.45	3.70	-46.99
CCC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020290129	0	53	-1.0	-41.74	414.55	9.19	-32.55
CCC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020290129	1	53	-1.0	-41.70	414.61	9.21	-32.49
CCC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020290130	0	50	-1.0	-48.10	396.25	8.68	-39.42
CCC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020290130	1	50	-1.0	-48.08	396.19	8.66	-39.42
C(CC1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290131	0	54	-1.0	-40.74	401.89	8.28	-32.46
C(CC1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290131	1	54	-1.0	-40.75	401.95	8.29	-32.46
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1CC1CCOC1	REAL300020290132	0	51	-1.0	-42.44	380.39	7.48	-34.96
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1CC1CCOC1	REAL300020290132	1	51	-1.0	-42.40	380.44	7.51	-34.89
COC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290133	0	51	-1.0	-43.32	387.60	5.07	-38.25
COC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290133	1	51	-1.0	-43.30	387.66	5.08	-38.22
COC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290134	0	48	-1.0	-43.61	370.47	4.26	-39.35
COC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290134	1	48	-1.0	-43.65	370.52	4.29	-39.36
FC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290135	0	48	-1.0	-43.51	388.63	7.50	-36.01
FC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290135	1	48	-1.0	-43.49	388.69	7.51	-35.98
FC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290136	0	45	-1.0	-44.43	366.15	7.20	-37.23
FC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290136	1	45	-1.0	-44.39	366.10	7.18	-37.21
FC1(F)C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC21	REAL300020290137	0	48	-1.0	-44.79	379.03	7.29	-37.50
FC1(F)C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC21	REAL300020290137	1	48	-1.0	-44.78	379.09	7.31	-37.47
FC1(F)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC21	REAL300020290138	0	45	-1.0	-51.67	354.77	6.80	-44.87
FC1(F)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC21	REAL300020290138	1	45	-1.0	-51.79	354.52	6.81	-44.98
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CC(C)(C)C1	REAL300020290139	0	53	-1.0	-41.96	409.96	7.72	-34.24
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CC(C)(C)C1	REAL300020290139	1	53	-1.0	-41.92	410.02	7.73	-34.19
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CC(C)(C)C1	REAL300020290140	0	50	-1.0	-42.66	385.06	7.12	-35.54
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CC(C)(C)C1	REAL300020290140	1	50	-1.0	-42.67	385.12	7.15	-35.52
C(CC1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290141	0	52	-1.0	-45.16	393.45	5.53	-39.63
C(CC1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290141	1	52	-1.0	-45.15	393.50	5.54	-39.61
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1CC1CCOC1	REAL300020290142	0	49	-1.0	-53.15	360.20	4.88	-48.27
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1CC1CCOC1	REAL300020290142	1	49	-1.0	-53.16	360.23	4.91	-48.25
NC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1=O	REAL300020290143	0	49	-1.0	-60.60	387.65	1.07	-59.53
NC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1=O	REAL300020290143	1	49	-1.0	-60.60	387.71	1.08	-59.52
CC1C(CO)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290144	0	54	-1.0	-40.39	411.29	3.13	-37.26
CC1C(CO)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290144	1	54	-1.0	-40.41	411.34	3.14	-37.27
CC1C(CO)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290145	0	51	-1.0	-44.12	382.70	2.35	-41.77
CC1C(CO)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290145	1	51	-1.0	-44.15	382.74	2.37	-41.78
CC(=O)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290146	0	50	-1.0	-49.91	396.53	6.72	-43.19
CC(=O)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290146	1	50	-1.0	-49.89	396.58	6.74	-43.15
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CC(C)(C)C1	REAL300020290147	0	56	-1.0	-40.86	416.78	7.71	-33.15
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CC(C)(C)C1	REAL300020290147	1	56	-1.0	-40.81	416.84	7.72	-33.09
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CC(C)(C)C1	REAL300020290148	0	53	-1.0	-42.30	397.68	7.36	-34.94
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CC(C)(C)C1	REAL300020290148	1	53	-1.0	-42.27	397.74	7.38	-34.89
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCSC3)C2)N1CC1CCOC1	REAL300020290149	0	52	-1.0	-57.37	379.40	7.17	-50.20
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCSC3)C2)N1CC1CCOC1	REAL300020290149	1	52	-1.0	-57.36	379.46	7.21	-50.15
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)=NC=N1	REAL300020290150	0	52	-1.0	-46.82	406.24	6.83	-39.99
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)=NC=N1	REAL300020290150	1	52	-1.0	-46.83	406.30	6.85	-39.98
CC(C1CC1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290151	0	50	-1.0	-39.78	388.86	7.26	-32.52
CC(C1CC1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290151	1	50	-1.0	-39.77	388.92	7.27	-32.50
CC(C1CC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290152	0	47	-1.0	-44.03	356.68	5.63	-38.40
CC(C1CC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290152	1	47	-1.0	-44.01	356.75	5.64	-38.37
CC(C1CC1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020290153	0	54	-1.0	-41.79	404.35	9.57	-32.22
CC(C1CC1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020290153	1	54	-1.0	-41.79	404.39	9.57	-32.22
FCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290154	0	48	-1.0	-41.32	376.70	5.24	-36.08
FCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290154	1	48	-1.0	-41.34	376.75	5.26	-36.08
FCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290155	0	45	-1.0	-45.35	354.64	4.77	-40.58
FCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290155	1	45	-1.0	-45.34	354.69	4.81	-40.53
C(CC1=NN=C(N2CCC(C3CCC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290156	0	54	-1.0	-44.06	399.42	7.14	-36.92
C(CC1=NN=C(N2CCC(C3CCC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290156	1	54	-1.0	-44.11	399.48	7.15	-36.96
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCC3)C2)N1CC1CCOC1	REAL300020290157	0	51	-1.0	-44.11	376.60	6.35	-37.76
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCC3)C2)N1CC1CCOC1	REAL300020290157	1	51	-1.0	-44.12	376.67	6.36	-37.76
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=C1C	REAL300020290158	0	56	-1.0	-40.67	437.14	9.67	-31.00
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=C1C	REAL300020290158	1	56	-1.0	-40.69	437.19	9.68	-31.01
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1C	REAL300020290159	0	53	-1.0	-50.32	407.65	8.24	-42.08
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1C	REAL300020290159	1	53	-1.0	-50.29	407.70	8.25	-42.04
CNC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290160	0	53	-1.0	-50.91	422.61	2.93	-47.98
CNC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290160	1	53	-1.0	-50.88	422.73	2.95	-47.93
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020290161	0	52	-1.0	-42.82	413.79	6.83	-35.99
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020290161	1	52	-1.0	-42.80	413.84	6.85	-35.95
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020290162	0	49	-1.0	-53.91	388.58	5.80	-48.11
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020290162	1	49	-1.0	-53.97	388.52	5.80	-48.17
CC(C)(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290163	0	59	-1.0	-44.13	426.06	8.04	-36.09
CC(C)(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290163	1	59	-1.0	-44.12	426.12	8.05	-36.07
CC(C)(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290164	0	56	-1.0	-41.47	413.31	7.91	-33.56
CC(C)(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290164	1	56	-1.0	-41.47	413.37	7.93	-33.54
COC(=O)C1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290165	0	53	-1.0	-46.61	411.69	7.41	-39.20
COC(=O)C1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290165	1	53	-1.0	-46.63	411.75	7.43	-39.20
COCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290166	0	53	-1.0	-41.33	412.52	5.59	-35.74
COCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290166	1	53	-1.0	-41.32	412.58	5.60	-35.72
COCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290167	0	50	-1.0	-42.50	396.96	5.01	-37.49
COCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290167	1	50	-1.0	-42.52	397.01	5.04	-37.48
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(OC3CCC3)CC2)N1CC1CCOC1	REAL300020290168	0	55	-1.0	-40.65	420.34	6.80	-33.85
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(OC3CCC3)CC2)N1CC1CCOC1	REAL300020290168	1	55	-1.0	-40.65	420.41	6.81	-33.84
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCCC1C(C)(C)C	REAL300020290169	0	59	-1.0	-50.13	382.51	8.31	-41.82
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCCC1C(C)(C)C	REAL300020290169	1	59	-1.0	-50.14	382.57	8.31	-41.83
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CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C(C)C1C	REAL300020290171	0	50	-1.0	-41.43	377.43	6.13	-35.30
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C(C)C1C	REAL300020290171	1	50	-1.0	-41.42	377.49	6.15	-35.27
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(CC)O1	REAL300020290172	0	57	-1.0	-41.82	437.07	7.29	-34.53
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(CC)O1	REAL300020290172	1	57	-1.0	-41.82	437.13	7.30	-34.52
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(CC)O1	REAL300020290173	0	54	-1.0	-44.15	417.06	7.08	-37.07
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CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020290174	1	54	-1.0	-43.52	415.38	8.80	-34.72
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CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020290175	1	51	-1.0	-42.37	393.07	8.20	-34.17
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CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290177	0	48	-1.0	-56.61	371.17	3.32	-53.29
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290177	1	48	-1.0	-56.62	371.22	3.33	-53.29
C(CC1=NN=C(N2CCC(C3CCCC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290178	0	57	-1.0	-41.84	427.22	9.11	-32.73
C(CC1=NN=C(N2CCC(C3CCCC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290178	1	57	-1.0	-41.82	427.27	9.13	-32.69
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCC3)C2)N1CC1CCOC1	REAL300020290179	0	54	-1.0	-51.92	395.17	8.05	-43.87
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCC3)C2)N1CC1CCOC1	REAL300020290179	1	54	-1.0	-51.92	395.21	8.05	-43.87
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C2=CC=CC=C21	REAL300020290180	0	51	-1.0	-48.14	394.41	10.43	-37.71
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C2=CC=CC=C21	REAL300020290180	1	51	-1.0	-48.09	394.47	10.44	-37.65
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C2=CC=CC=C21	REAL300020290181	0	48	-1.0	-43.56	384.17	9.60	-33.96
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C2=CC=CC=C21	REAL300020290181	1	48	-1.0	-43.56	384.10	9.59	-33.97
C1=CN(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C2)N=N1	REAL300020290182	0	53	-1.0	-53.49	409.69	5.41	-48.08
C1=CN(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C2)N=N1	REAL300020290182	1	53	-1.0	-53.49	409.63	5.40	-48.09
C1=CN(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)N=N1	REAL300020290183	0	50	-1.0	-60.89	386.00	4.81	-56.08
C1=CN(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)N=N1	REAL300020290183	1	50	-1.0	-60.95	385.75	4.81	-56.14
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)[C@H](C)C1	REAL300020290184	0	53	-1.0	-39.57	401.98	7.57	-32.00
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)[C@H](C)C1	REAL300020290184	1	53	-1.0	-39.59	402.03	7.59	-32.00
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)[C@H](C)C1	REAL300020290185	0	50	-1.0	-43.91	375.20	7.21	-36.70
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)[C@H](C)C1	REAL300020290185	1	50	-1.0	-43.94	375.25	7.23	-36.71
CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290186	0	51	-1.0	-55.03	407.57	7.80	-47.23
CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290186	1	51	-1.0	-54.96	407.67	7.80	-47.16
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCSC3)C2)N1CC1CCOC1	REAL300020290187	0	50	-1.0	-45.32	389.47	5.19	-40.13
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCSC3)C2)N1CC1CCOC1	REAL300020290187	1	50	-1.0	-45.29	389.53	5.22	-40.07
C(CC1=NN=C(N2CC[C@@H]3OCC[C@@H]3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290188	0	52	-1.0	-42.72	381.94	4.67	-38.05
C(CC1=NN=C(N2CC[C@@H]3OCC[C@@H]3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290188	1	52	-1.0	-42.69	382.00	4.69	-38.00
C(C1=N[N-]N=N1)C1=NN=C(N2CC[C@@H]3OCC[C@@H]3C2)N1CC1CCOC1	REAL300020290189	0	49	-1.0	-44.25	374.15	5.25	-39.00
C(C1=NN=N[N-]1)C1=NN=C(N2CC[C@@H]3OCC[C@@H]3C2)N1CC1CCOC1	REAL300020290189	1	49	-1.0	-44.27	374.21	5.28	-38.99
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290190	0	54	-1.0	-41.09	408.47	6.65	-34.44
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290190	1	54	-1.0	-41.07	408.54	6.68	-34.39
CC1CC2(CN1C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CCOCC2	REAL300020290191	0	55	-1.0	-47.87	405.67	6.24	-41.63
CC1CC2(CN1C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CCOCC2	REAL300020290191	1	55	-1.0	-47.84	405.72	6.26	-41.58
C#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290192	0	49	-1.0	-43.41	386.50	7.38	-36.03
C#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290192	1	49	-1.0	-43.43	386.56	7.39	-36.04
C#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290193	0	46	-1.0	-51.03	356.46	6.84	-44.19
C#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290193	1	46	-1.0	-51.06	356.53	6.84	-44.22
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290194	0	52	-1.0	-39.69	411.77	8.18	-31.51
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290194	1	52	-1.0	-39.69	411.83	8.20	-31.49
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290195	0	49	-1.0	-44.02	389.06	6.90	-37.12
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290195	1	49	-1.0	-44.03	389.12	6.93	-37.10
CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290196	0	54	-1.0	-42.97	412.79	6.01	-36.96
CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290196	1	54	-1.0	-42.98	412.85	6.02	-36.96
CC(C)O[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290197	0	51	-1.0	-42.75	392.17	5.21	-37.54
CC(C)O[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290197	1	51	-1.0	-42.73	392.23	5.24	-37.49
C1=CN=C(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)N=C1	REAL300020290198	0	51	-1.0	-46.01	405.26	6.41	-39.60
C1=CN=C(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)N=C1	REAL300020290198	1	51	-1.0	-46.00	405.21	6.38	-39.62
C1=CC=C(O[C@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)C=C1	REAL300020290199	0	52	-1.0	-53.04	400.50	7.00	-46.04
C1=CC=C(O[C@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)C=C1	REAL300020290199	1	52	-1.0	-53.01	400.73	7.01	-46.00
CC(=O)NCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290200	0	50	-1.0	-43.81	396.67	3.30	-40.51
CC(=O)NCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290200	1	50	-1.0	-43.80	396.72	3.31	-40.49
CC(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290201	0	47	-1.0	-45.60	381.10	2.72	-42.88
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COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C[C@H]1C	REAL300020290202	0	53	-1.0	-47.59	414.77	6.29	-41.30
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C[C@H]1C	REAL300020290202	1	53	-1.0	-47.58	414.83	6.31	-41.27
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@H]1C	REAL300020290203	0	50	-1.0	-49.72	391.36	6.38	-43.34
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@H]1C	REAL300020290203	1	50	-1.0	-49.73	391.41	6.41	-43.32
FC1=CC2=C(C=C1F)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290204	0	45	-1.0	-40.66	375.72	7.06	-33.60
FC1=CC2=C(C=C1F)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290204	1	45	-1.0	-40.60	375.78	7.09	-33.51
COC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290205	0	52	-1.0	-46.21	405.33	6.53	-39.68
COC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290205	1	52	-1.0	-46.24	405.39	6.54	-39.70
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290206	0	49	-1.0	-47.11	385.57	5.65	-41.46
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290206	1	49	-1.0	-47.09	385.51	5.62	-41.47
N#CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290207	0	49	-1.0	-47.55	396.70	7.62	-39.93
N#CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290207	1	49	-1.0	-47.57	396.75	7.64	-39.93
N#CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290208	0	46	-1.0	-46.86	376.92	6.74	-40.12
N#CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290208	1	46	-1.0	-46.87	376.86	6.72	-40.15
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290209	0	49	-1.0	-40.63	391.70	7.47	-33.16
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290209	1	49	-1.0	-40.64	391.76	7.48	-33.16
C#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290210	0	46	-1.0	-44.74	369.01	6.19	-38.55
C#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290210	1	46	-1.0	-44.75	369.06	6.21	-38.54
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290211	0	59	0.0	-59.16	429.05	7.45	-51.71
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290211	1	59	0.0	-59.19	429.11	7.48	-51.71
CC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020290212	0	48	-1.0	-40.94	388.17	4.13	-36.81
CC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020290212	1	48	-1.0	-40.92	388.22	4.15	-36.77
CC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020290213	0	45	-1.0	-42.26	368.04	2.75	-39.51
CC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020290213	1	45	-1.0	-42.24	368.09	2.78	-39.46
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(OC3CCC3)C2)N1CC1CCOC1	REAL300020290214	0	55	-1.0	-45.12	424.35	6.48	-38.64
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(OC3CCC3)C2)N1CC1CCOC1	REAL300020290214	1	55	-1.0	-45.09	424.41	6.51	-38.58
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2CC2CCCC2)N1CC1CCOC1	REAL300020290215	0	57	-1.0	-47.01	423.74	8.94	-38.07
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2CC2CCCC2)N1CC1CCOC1	REAL300020290215	1	57	-1.0	-47.04	423.80	8.94	-38.10
COC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290216	0	55	-1.0	-47.63	411.56	2.76	-44.87
COC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290216	1	55	-1.0	-47.62	411.61	2.77	-44.85
COC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290217	0	52	-1.0	-47.61	393.13	1.92	-45.69
COC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290217	1	52	-1.0	-47.65	393.20	1.94	-45.71
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290218	0	59	0.0	-61.47	435.50	8.15	-53.32
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290218	1	59	0.0	-61.43	435.44	8.13	-53.30
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290219	0	56	0.0	-65.38	414.70	7.28	-58.10
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290219	1	56	0.0	-65.31	414.76	7.31	-58.00
FC1(F)CC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290220	0	48	-1.0	-44.39	374.64	6.03	-38.36
FC1(F)CC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290220	1	48	-1.0	-44.36	374.69	6.05	-38.31
FC1(F)CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290221	0	45	-1.0	-54.13	359.49	6.20	-47.93
FC1(F)CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290221	1	45	-1.0	-54.11	359.53	6.20	-47.91
N#CC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290222	0	49	-1.0	-47.95	397.29	8.31	-39.64
N#CC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290222	1	49	-1.0	-47.96	397.35	8.32	-39.64
N#CC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290223	0	46	-1.0	-48.78	377.46	6.76	-42.02
N#CC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290223	1	46	-1.0	-48.78	377.41	6.74	-42.04
FC1(F)C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC21	REAL300020290224	0	45	-1.0	-43.50	363.25	6.58	-36.92
FC1(F)C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC21	REAL300020290224	1	45	-1.0	-43.50	363.31	6.59	-36.91
FC1(F)C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC21	REAL300020290225	0	42	-1.0	-53.35	337.39	5.69	-47.66
FC1(F)C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC21	REAL300020290225	1	42	-1.0	-53.39	337.46	5.70	-47.69
FC1(F)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290226	0	47	-1.0	-39.65	376.28	6.99	-32.66
FC1(F)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290226	1	47	-1.0	-39.71	376.34	7.00	-32.71
FC1(F)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290227	0	44	-1.0	-40.83	352.63	6.23	-34.60
FC1(F)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290227	1	44	-1.0	-40.81	352.69	6.25	-34.56
FC1(F)CC12CCCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290228	0	51	-1.0	-46.37	399.60	7.48	-38.89
FC1(F)CC12CCCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290228	1	51	-1.0	-46.36	399.65	7.49	-38.87
FC1(F)CC12CCCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290229	0	48	-1.0	-48.74	384.31	7.58	-41.16
FC1(F)CC12CCCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290229	1	48	-1.0	-48.73	384.37	7.61	-41.12
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@H](C)O1	REAL300020290230	0	51	-1.0	-53.55	403.47	5.61	-47.94
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@H](C)O1	REAL300020290230	1	51	-1.0	-53.55	403.45	5.62	-47.93
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC2(CCC2)O1	REAL300020290231	0	55	-1.0	-39.27	420.85	7.05	-32.22
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC2(CCC2)O1	REAL300020290231	1	55	-1.0	-39.25	420.91	7.06	-32.19
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2(CCC2)O1	REAL300020290232	0	52	-1.0	-44.86	384.41	4.77	-40.09
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2(CCC2)O1	REAL300020290232	1	52	-1.0	-44.84	384.46	4.80	-40.04
CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290233	0	54	-1.0	-41.90	415.42	6.18	-35.72
CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290233	1	54	-1.0	-41.86	415.48	6.19	-35.67
CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290234	0	51	-1.0	-50.66	384.37	5.73	-44.93
CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290234	1	51	-1.0	-50.71	384.44	5.73	-44.98
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCCOC1	REAL300020290235	0	54	-1.0	-46.49	402.28	4.69	-41.80
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCCOC1	REAL300020290235	1	54	-1.0	-46.51	402.34	4.71	-41.80
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCCOC1	REAL300020290236	0	51	-1.0	-47.43	380.20	3.85	-43.58
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCCOC1	REAL300020290236	1	51	-1.0	-47.43	380.26	3.87	-43.56
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2(CCCC2)O1	REAL300020290237	0	55	-1.0	-44.41	410.50	6.20	-38.21
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2(CCCC2)O1	REAL300020290237	1	55	-1.0	-44.39	410.56	6.25	-38.14
CC(C)OC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290238	0	57	-1.0	-40.60	434.87	6.91	-33.69
CC(C)OC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290238	1	57	-1.0	-40.63	434.93	6.92	-33.71
CC(C)OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290239	0	54	-1.0	-47.45	413.90	6.86	-40.59
CC(C)OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290239	1	54	-1.0	-47.42	413.95	6.88	-40.54
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCC2=CC=CC=C21	REAL300020290240	0	54	-1.0	-50.81	393.49	7.81	-43.00
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCC2=CC=CC=C21	REAL300020290240	1	54	-1.0	-50.79	393.42	7.82	-42.97
O=C1N[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC[C@H]2CO1	REAL300020290241	0	50	-1.0	-51.54	379.27	2.01	-49.53
O=C1N[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC[C@H]2CO1	REAL300020290241	1	50	-1.0	-51.57	379.33	2.03	-49.54
CCN(CCSC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290242	0	50	-1.0	-41.38	401.54	6.55	-34.83
CCN(CCSC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290242	1	50	-1.0	-41.39	401.60	6.56	-34.83
CCN(CCSC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290243	0	47	-1.0	-42.76	385.14	6.06	-36.70
CCN(CCSC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290243	1	47	-1.0	-42.75	385.19	6.08	-36.67
CN(C)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290244	0	53	-1.0	-51.75	401.08	4.56	-47.19
CN(C)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290244	1	53	-1.0	-51.74	401.14	4.59	-47.15
FC1(F)CC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020290245	0	51	-1.0	-41.94	409.06	8.06	-33.88
FC1(F)CC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020290245	1	51	-1.0	-41.93	409.12	8.07	-33.86
FC1(F)CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020290246	0	48	-1.0	-45.79	387.48	7.63	-38.16
FC1(F)CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020290246	1	48	-1.0	-45.78	387.54	7.65	-38.13
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1=O	REAL300020290247	0	48	-1.0	-45.33	372.34	3.99	-41.34
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1=O	REAL300020290247	1	48	-1.0	-45.38	372.40	4.01	-41.37
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1=O	REAL300020290248	0	45	-1.0	-50.42	348.19	3.32	-47.10
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1=O	REAL300020290248	1	45	-1.0	-50.47	348.23	3.34	-47.13
C1=NN=CN1CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290249	0	53	-1.0	-59.60	403.94	9.24	-50.36
C1=NN=CN1CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290249	1	53	-1.0	-59.55	403.87	9.23	-50.32
O=C1OCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290250	0	50	-1.0	-60.54	381.75	4.73	-55.81
O=C1OCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290250	1	50	-1.0	-60.51	381.80	4.73	-55.78
C(CC1=NN=C(N2CC3CCC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290251	0	48	-1.0	-40.32	360.87	7.30	-33.02
C(CC1=NN=C(N2CC3CCC3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290251	1	48	-1.0	-40.34	360.92	7.31	-33.03
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC3C2)N1CC1CCOC1	REAL300020290252	0	45	-1.0	-42.84	350.17	6.19	-36.65
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC3C2)N1CC1CCOC1	REAL300020290252	1	45	-1.0	-42.87	350.25	6.18	-36.69
C1=CC(C2=NN=C(N3CC4CCC4C3)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020290253	0	52	-1.0	-42.07	393.63	9.35	-32.72
C1=CC(C2=NN=C(N3CC4CCC4C3)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020290253	1	52	-1.0	-42.04	393.66	9.34	-32.70
CC1COC2(CCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290254	0	55	-1.0	-39.78	420.47	5.57	-34.21
CC1COC2(CCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290254	1	55	-1.0	-39.89	420.53	5.59	-34.30
CC1COC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290255	0	52	-1.0	-42.68	396.98	4.65	-38.03
CC1COC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290255	1	52	-1.0	-42.64	397.04	4.68	-37.96
C(C1=N[N-]N=N1)C1=NN=C(N2CCN(C3CCOC3)CC2)N1CC1CCOC1	REAL300020290256	0	54	-1.0	-46.05	406.54	3.08	-42.97
C(C1=NN=N[N-]1)C1=NN=C(N2CCN(C3CCOC3)CC2)N1CC1CCOC1	REAL300020290256	1	54	-1.0	-46.10	406.60	3.10	-43.00
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCOC3)CC2)N1CC1CCOC1	REAL300020290256	1	55	0.0	-80.15	403.09	5.50	-74.65
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCCC3)C2)N1CC1CCOC1	REAL300020290257	0	57	-1.0	-51.79	411.82	8.60	-43.19
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCCC3)C2)N1CC1CCOC1	REAL300020290257	1	57	-1.0	-51.76	411.85	8.61	-43.15
CC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290258	0	54	-1.0	-43.19	415.20	8.60	-34.59
CC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290258	1	54	-1.0	-43.21	415.26	8.62	-34.59
CC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290259	0	51	-1.0	-42.33	392.67	8.15	-34.18
CC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290259	1	51	-1.0	-42.30	392.61	8.12	-34.18
COCCN(CCF)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290260	0	50	-1.0	-42.74	391.31	4.45	-38.29
COCCN(CCF)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290260	1	50	-1.0	-42.74	391.36	4.47	-38.27
COCCN(CCF)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290261	0	47	-1.0	-42.70	373.72	3.89	-38.81
COCCN(CCF)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290261	1	47	-1.0	-42.71	373.78	3.91	-38.80
O=C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC2N1	REAL300020290262	0	52	-1.0	-43.56	399.59	4.46	-39.10
O=C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC2N1	REAL300020290262	1	52	-1.0	-43.54	399.66	4.49	-39.05
CN(CC1COCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290263	0	52	-1.0	-41.49	402.30	4.47	-37.02
CN(CC1COCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290263	1	52	-1.0	-41.44	402.35	4.48	-36.96
CN(CC1COCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290264	0	49	-1.0	-48.92	381.32	4.19	-44.73
CN(CC1COCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290264	1	49	-1.0	-48.93	381.38	4.22	-44.71
CN(CC1=CCCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290265	0	52	-1.0	-41.35	402.22	6.30	-35.05
CN(CC1=CCCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290265	1	52	-1.0	-41.36	402.28	6.31	-35.05
CN(CC1=CCCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290266	0	49	-1.0	-43.65	381.37	4.75	-38.90
CN(CC1=CCCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290266	1	49	-1.0	-43.66	381.43	4.78	-38.88
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCCC3)CC2)N1CC1CCOC1	REAL300020290267	0	57	-1.0	-41.89	407.67	7.93	-33.96
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCCCC3)CC2)N1CC1CCOC1	REAL300020290267	1	57	-1.0	-41.89	407.74	7.94	-33.95
C[C@@]12COC[C@]1(C)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290268	0	55	-1.0	-43.48	409.18	5.09	-38.39
C[C@@]12COC[C@]1(C)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290268	1	55	-1.0	-43.53	409.24	5.11	-38.42
C[C@@]12COC[C@]1(C)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290269	0	52	-1.0	-43.63	392.70	5.03	-38.60
C[C@@]12COC[C@]1(C)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290269	1	52	-1.0	-43.61	392.75	5.05	-38.56
OCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290270	0	52	-1.0	-43.82	409.94	1.25	-42.57
OCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290270	1	52	-1.0	-43.85	410.00	1.27	-42.58
OCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290271	0	49	-1.0	-47.67	381.77	1.05	-46.62
OCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290271	1	49	-1.0	-47.67	381.82	1.07	-46.60
C(CC1=NN=C(N2CCC(C3CCC3)CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290272	0	57	-1.0	-39.94	438.41	9.16	-30.78
C(CC1=NN=C(N2CCC(C3CCC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290272	1	57	-1.0	-39.98	438.47	9.18	-30.80
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C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290278	1	52	-1.0	-39.69	411.83	8.20	-31.49
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290279	0	49	-1.0	-44.02	389.06	6.90	-37.12
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C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCC3)CC2)N1CC1CCOC1	REAL300020290285	0	57	-1.0	-42.18	418.19	8.88	-33.30
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCC3)CC2)N1CC1CCOC1	REAL300020290285	1	57	-1.0	-42.15	418.25	8.90	-33.25
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C1=COC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)=C1	REAL300020290294	1	51	-1.0	-42.28	410.63	7.51	-34.77
CC1(C2CC2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290295	0	55	-1.0	-40.44	415.58	7.15	-33.29
CC1(C2CC2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290295	1	55	-1.0	-40.44	415.64	7.17	-33.27
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CC1(C2CC2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290296	1	52	-1.0	-46.68	395.22	6.95	-39.73
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COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H](C)O1	REAL300020290299	0	51	-1.0	-53.49	398.59	5.38	-48.11
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H](C)O1	REAL300020290299	1	51	-1.0	-53.47	398.57	5.39	-48.08
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CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290301	0	56	-1.0	-52.44	385.18	7.04	-45.40
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FCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290305	0	50	-1.0	-47.11	381.72	7.64	-39.47
FCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290305	1	50	-1.0	-47.13	381.77	7.68	-39.45
COCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290306	0	57	-1.0	-51.93	424.27	6.84	-45.09
COCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290306	1	57	-1.0	-51.95	424.33	6.85	-45.10
CC12COCC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290307	0	52	-1.0	-44.39	374.94	3.83	-40.56
CC12COCC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290307	1	52	-1.0	-44.39	375.00	3.84	-40.55
CC12COCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290308	0	49	-1.0	-44.33	360.73	3.39	-40.94
CC12COCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290308	1	49	-1.0	-44.29	360.80	3.40	-40.89
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C[C@H](C)O1	REAL300020290309	0	54	-1.0	-39.03	409.31	6.46	-32.57
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C[C@H](C)O1	REAL300020290309	1	54	-1.0	-38.96	409.37	6.47	-32.49
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@H](C)O1	REAL300020290310	0	51	-1.0	-46.09	381.42	4.94	-41.15
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@H](C)O1	REAL300020290310	1	51	-1.0	-46.10	381.48	4.96	-41.14
FC1(F)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290311	0	50	-1.0	-42.66	386.15	7.09	-35.57
FC1(F)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290311	1	50	-1.0	-42.65	386.21	7.10	-35.55
FC1(F)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290312	0	47	-1.0	-49.10	364.54	6.30	-42.80
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CN(CC1=CN(C)N=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290313	0	49	-1.0	-47.32	394.72	4.52	-42.80
CN(CC1=CN(C)N=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290313	1	49	-1.0	-47.34	394.78	4.54	-42.80
CN(CC1=CN(C)N=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290314	0	46	-1.0	-57.91	369.31	3.50	-54.41
CN(CC1=CN(C)N=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290314	1	46	-1.0	-57.95	369.26	3.50	-54.45
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290315	0	56	-1.0	-45.77	398.51	6.04	-39.73
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290315	1	56	-1.0	-45.83	398.56	6.06	-39.77
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290316	0	53	-1.0	-44.63	393.35	7.45	-37.18
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290316	1	53	-1.0	-44.61	393.41	7.47	-37.14
C(CC1=NN=C(N2CC3(C2)CCCO3)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290317	0	49	-1.0	-44.08	383.71	4.11	-39.97
C(CC1=NN=C(N2CC3(C2)CCCO3)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290317	1	49	-1.0	-44.07	383.77	4.13	-39.94
C(C1=N[N-]N=N1)C1=NN=C(N2CC3(C2)CCCO3)N1CC1CCOC1	REAL300020290318	0	46	-1.0	-44.97	362.22	3.39	-41.58
C(C1=NN=N[N-]1)C1=NN=C(N2CC3(C2)CCCO3)N1CC1CCOC1	REAL300020290318	1	46	-1.0	-45.00	362.31	3.41	-41.59
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290319	0	54	-1.0	-51.27	411.84	4.81	-46.46
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290319	1	54	-1.0	-51.23	411.90	4.82	-46.41
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290320	0	51	-1.0	-59.33	388.39	5.47	-53.86
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290320	1	51	-1.0	-59.33	388.44	5.48	-53.85
C(CC1=NN=C(N2CCSC3CCC32)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290321	0	49	-1.0	-38.62	384.29	7.77	-30.85
C(CC1=NN=C(N2CCSC3CCC32)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290321	1	49	-1.0	-38.57	384.35	7.79	-30.78
C(C1=N[N-]N=N1)C1=NN=C(N2CCSC3CCC32)N1CC1CCOC1	REAL300020290322	0	46	-1.0	-41.90	360.82	7.19	-34.71
C(C1=NN=N[N-]1)C1=NN=C(N2CCSC3CCC32)N1CC1CCOC1	REAL300020290322	1	46	-1.0	-41.90	360.88	7.22	-34.68
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(C(N)=O)O1	REAL300020290323	0	52	-1.0	-50.54	402.16	2.31	-48.23
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(C(N)=O)O1	REAL300020290323	1	52	-1.0	-50.52	402.22	2.33	-48.19
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(C(N)=O)O1	REAL300020290324	0	49	-1.0	-46.73	383.10	1.61	-45.12
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(C(N)=O)O1	REAL300020290324	1	49	-1.0	-46.72	383.16	1.63	-45.09
CC1=NOC(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020290325	0	50	-1.0	-57.86	395.56	5.24	-52.62
CC1=NOC(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020290325	1	50	-1.0	-57.89	395.63	5.26	-52.63
COC(=O)C1(OC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290326	0	51	-1.0	-45.58	403.54	4.86	-40.72
COC(=O)C1(OC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290326	1	51	-1.0	-45.61	403.60	4.89	-40.72
COC(=O)N(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290327	0	54	-1.0	-47.59	427.37	5.30	-42.29
COC(=O)N(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290327	1	54	-1.0	-47.55	427.43	5.31	-42.24
COC(=O)N(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290328	0	51	-1.0	-47.42	411.83	4.73	-42.69
COC(=O)N(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290328	1	51	-1.0	-47.44	411.88	4.75	-42.69
CN(CC1(C)COC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290329	0	51	-1.0	-40.36	394.46	5.79	-34.57
CN(CC1(C)COC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290329	1	51	-1.0	-40.34	394.52	5.81	-34.53
CN(CC1(C)COC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290330	0	48	-1.0	-44.05	369.08	4.31	-39.74
CN(CC1(C)COC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290330	1	48	-1.0	-44.12	369.14	4.33	-39.79
CCC(CC)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290331	0	61	-1.0	-39.32	453.75	9.02	-30.30
CCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290331	1	61	-1.0	-39.31	453.81	9.04	-30.27
CCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290332	0	58	-1.0	-40.67	434.49	8.34	-32.33
CCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290332	1	58	-1.0	-40.68	434.55	8.36	-32.32
C(CC1=NN=C(N2CCCC(C3CCC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290333	0	57	-1.0	-44.17	428.15	8.55	-35.62
C(CC1=NN=C(N2CCCC(C3CCC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290333	1	57	-1.0	-44.15	428.21	8.56	-35.59
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(C3CCC3)C2)N1CC1CCOC1	REAL300020290334	0	54	-1.0	-51.61	400.01	7.95	-43.66
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(C3CCC3)C2)N1CC1CCOC1	REAL300020290334	1	54	-1.0	-51.62	400.27	7.94	-43.68
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2)=NO1	REAL300020290335	0	53	-1.0	-44.65	424.38	7.33	-37.32
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2)=NO1	REAL300020290335	1	53	-1.0	-44.63	424.44	7.35	-37.28
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)=NO1	REAL300020290336	0	50	-1.0	-45.00	402.88	6.55	-38.45
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)=NO1	REAL300020290336	1	50	-1.0	-45.03	402.94	6.58	-38.45
OC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290337	0	49	-1.0	-46.51	386.85	4.38	-42.13
OC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290337	1	49	-1.0	-46.52	386.91	4.39	-42.13
OC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290338	0	46	-1.0	-45.91	367.09	3.49	-42.42
OC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290338	1	46	-1.0	-45.96	367.03	3.47	-42.49
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(C)(C(F)F)O1	REAL300020290339	0	51	-1.0	-52.61	396.34	5.06	-47.55
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(C)(C(F)F)O1	REAL300020290339	1	51	-1.0	-52.64	396.48	5.09	-47.55
C=C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290340	0	47	-1.0	-40.11	365.72	6.76	-33.35
C=C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290340	1	47	-1.0	-40.10	365.78	6.78	-33.32
C=C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290341	0	44	-1.0	-41.15	349.28	5.95	-35.20
C=C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290341	1	44	-1.0	-41.11	349.22	5.92	-35.19
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020290342	0	51	-1.0	-42.54	411.25	8.86	-33.68
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020290342	1	51	-1.0	-42.54	411.39	8.85	-33.69
C1=CC=C(O[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)C=C1	REAL300020290343	0	52	-1.0	-44.91	411.26	7.57	-37.34
C1=CC=C(O[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)C=C1	REAL300020290343	1	52	-1.0	-44.91	411.32	7.60	-37.31
CC1(C(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290344	0	51	-1.0	-47.21	401.81	5.48	-41.73
CC1(C(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290344	1	51	-1.0	-47.21	401.86	5.49	-41.72
CC1(C(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290345	0	48	-1.0	-52.36	374.36	5.08	-47.28
CC1(C(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290345	1	48	-1.0	-52.38	374.22	5.09	-47.29
C(CC1=NN=C(N2CCC3(COC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290346	0	49	-1.0	-42.63	381.04	4.99	-37.64
C(CC1=NN=C(N2CCC3(COC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290346	1	49	-1.0	-42.62	381.10	5.00	-37.62
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(COC3)C2)N1CC1CCOC1	REAL300020290347	0	46	-1.0	-47.91	354.64	4.29	-43.62
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(COC3)C2)N1CC1CCOC1	REAL300020290347	1	46	-1.0	-47.90	354.70	4.32	-43.58
CCCCCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290348	0	59	-1.0	-44.39	444.48	8.12	-36.27
CCCCCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290348	1	59	-1.0	-44.42	444.53	8.15	-36.27
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC2CC2CCC2)N1CC1CCOC1	REAL300020290349	0	57	-1.0	-52.65	414.33	8.22	-44.43
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC2CC2CCC2)N1CC1CCOC1	REAL300020290349	1	57	-1.0	-52.63	414.41	8.23	-44.40
C(CC1=NN=C(N2CCC3CC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290350	0	48	-1.0	-39.83	369.82	7.06	-32.77
C(CC1=NN=C(N2CCC3CC3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290350	1	48	-1.0	-39.84	369.88	7.08	-32.76
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CC3C2)N1CC1CCOC1	REAL300020290351	0	45	-1.0	-51.19	328.64	5.46	-45.73
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CC3C2)N1CC1CCOC1	REAL300020290351	1	45	-1.0	-51.25	328.68	5.46	-45.79
C1=CC(C2=NN=C(N3CCC4CC4C3)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020290352	0	52	-1.0	-43.07	407.67	9.61	-33.46
C1=CC(C2=NN=C(N3CCC4CC4C3)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020290352	1	52	-1.0	-43.07	407.74	9.61	-33.46
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290353	0	53	-1.0	-51.26	411.31	5.75	-45.51
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290353	1	53	-1.0	-51.18	411.34	5.77	-45.41
CC1=NN=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)S1	REAL300020290354	0	48	-1.0	-43.93	397.75	4.69	-39.24
CC1=NN=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)S1	REAL300020290354	1	48	-1.0	-43.96	397.81	4.70	-39.26
CC1=NN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)S1	REAL300020290355	0	45	-1.0	-50.36	374.06	3.98	-46.38
CC1=NN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)S1	REAL300020290355	1	45	-1.0	-50.37	374.01	3.99	-46.38
CC12CC(C1)CN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290356	0	48	-1.0	-42.38	371.46	6.40	-35.98
CC12CC(C1)CN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290356	1	48	-1.0	-42.38	371.52	6.41	-35.97
CC12CC(C1)CN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290357	0	45	-1.0	-47.05	348.20	5.94	-41.11
CC12CC(C1)CN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290357	1	45	-1.0	-47.02	348.26	5.96	-41.06
CC12CC(C1)CN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020290358	0	52	-1.0	-44.07	407.42	8.48	-35.59
CC12CC(C1)CN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020290358	1	52	-1.0	-44.06	407.46	8.48	-35.58
OC1=CC=C2OCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290359	0	50	-1.0	-40.06	393.05	3.50	-36.56
OC1=CC=C2OCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290359	1	50	-1.0	-39.99	393.12	3.52	-36.47
CN(CC1=CCSC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290360	0	49	-1.0	-41.49	394.09	7.70	-33.79
CN(CC1=CCSC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290360	1	49	-1.0	-41.48	394.16	7.71	-33.77
CN(CC1=CCSC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290361	0	46	-1.0	-41.13	378.99	7.14	-33.99
CN(CC1=CCSC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290361	1	46	-1.0	-41.12	379.04	7.16	-33.96
C(CC1=NN=C(N2CCC3COCC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290362	0	52	-1.0	-39.82	397.63	6.07	-33.75
C(CC1=NN=C(N2CCC3COCC3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290362	1	52	-1.0	-39.80	397.69	6.08	-33.72
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3COCC3C2)N1CC1CCOC1	REAL300020290363	0	49	-1.0	-45.78	361.81	3.85	-41.93
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3COCC3C2)N1CC1CCOC1	REAL300020290363	1	49	-1.0	-45.83	361.88	3.87	-41.96
C(CC1=NN=C(N(CCC2CC2)CC2CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290364	0	57	-1.0	-40.25	441.32	9.27	-30.98
C(CC1=NN=C(N(CCC2CC2)CC2CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290364	1	57	-1.0	-40.25	441.38	9.29	-30.96
C(CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CC1	REAL300020290365	0	54	-1.0	-42.24	422.21	8.90	-33.34
C(CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CC1	REAL300020290365	1	54	-1.0	-42.27	422.27	8.93	-33.34
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290366	0	57	-1.0	-44.18	432.81	6.61	-37.57
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290366	1	57	-1.0	-44.23	432.87	6.62	-37.61
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290367	0	54	-1.0	-43.26	420.70	6.24	-37.02
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290367	1	54	-1.0	-43.28	420.83	6.26	-37.02
C1=CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)N=N1	REAL300020290368	0	50	-1.0	-49.06	396.78	4.74	-44.32
C1=CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)N=N1	REAL300020290368	1	50	-1.0	-49.05	396.72	4.72	-44.33
C#CCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290369	0	52	-1.0	-42.55	411.43	5.48	-37.07
C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290369	1	52	-1.0	-42.53	411.48	5.50	-37.03
C#CCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290370	0	49	-1.0	-44.10	394.42	5.00	-39.10
C#CCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290370	1	49	-1.0	-44.13	394.47	5.04	-39.09
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290371	0	51	-1.0	-44.37	396.95	7.93	-36.44
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290371	1	51	-1.0	-44.42	397.04	7.96	-36.46
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290372	0	48	-1.0	-44.11	381.66	7.38	-36.73
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290372	1	48	-1.0	-44.08	381.58	7.37	-36.71
CC1COC2(CCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290373	0	55	-1.0	-42.83	409.60	5.51	-37.32
CC1COC2(CCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290373	1	55	-1.0	-42.84	409.66	5.54	-37.30
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290374	0	54	-1.0	-48.28	410.84	9.76	-38.52
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290374	1	54	-1.0	-48.37	410.90	9.78	-38.59
C1=CC=C(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020290375	0	52	-1.0	-45.79	407.27	8.53	-37.26
C1=CC=C(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020290375	1	52	-1.0	-45.77	407.21	8.51	-37.26
COC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290376	0	52	-1.0	-47.71	418.58	3.71	-44.00
COC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290376	1	52	-1.0	-47.79	418.70	3.73	-44.06
C(CC1=NN=C(N2CC3C4COCC4C3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290377	0	53	-1.0	-44.50	397.97	5.57	-38.93
C(CC1=NN=C(N2CC3C4COCC4C3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290377	1	53	-1.0	-44.51	398.03	5.59	-38.92
C(C1=N[N-]N=N1)C1=NN=C(N2CC3C4COCC4C3C2)N1CC1CCOC1	REAL300020290378	0	50	-1.0	-51.75	370.05	4.90	-46.85
C(C1=NN=N[N-]1)C1=NN=C(N2CC3C4COCC4C3C2)N1CC1CCOC1	REAL300020290378	1	50	-1.0	-51.70	370.09	4.92	-46.78
CN(CC1CC1(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290379	0	53	-1.0	-43.84	404.43	7.47	-36.37
CN(CC1CC1(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290379	1	53	-1.0	-43.80	404.56	7.47	-36.33
CN(CC1CC1(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290380	0	50	-1.0	-51.61	379.96	6.71	-44.90
CN(CC1CC1(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290380	1	50	-1.0	-51.55	380.00	6.73	-44.82
OCC1CC2CCC1N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290381	0	55	-1.0	-44.14	396.21	3.18	-40.96
OCC1CC2CCC1N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290381	1	55	-1.0	-44.11	396.27	3.19	-40.92
OCC1CC2CCC1N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290382	0	52	-1.0	-46.00	383.65	3.62	-42.38
OCC1CC2CCC1N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290382	1	52	-1.0	-45.98	383.71	3.65	-42.33
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)O1	REAL300020290383	0	50	-1.0	-56.82	398.87	1.56	-55.26
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)O1	REAL300020290383	1	50	-1.0	-56.81	398.94	1.57	-55.24
C(CC1=NN=C(N2CC3CCC(C3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290384	0	51	-1.0	-42.42	381.29	7.84	-34.58
C(CC1=NN=C(N2CC3CCC(C3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290384	1	51	-1.0	-42.43	381.35	7.85	-34.58
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC(C3)C2)N1CC1CCOC1	REAL300020290385	0	48	-1.0	-51.69	355.45	7.35	-44.34
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC(C3)C2)N1CC1CCOC1	REAL300020290385	1	48	-1.0	-51.71	355.47	7.37	-44.34
C1=CN=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCC2=N1	REAL300020290386	0	49	-1.0	-45.67	385.06	4.33	-41.34
C1=CN=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCC2=N1	REAL300020290386	1	49	-1.0	-45.66	385.11	4.35	-41.31
C1=CN=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC2=N1	REAL300020290387	0	46	-1.0	-50.36	360.67	3.78	-46.58
C1=CN=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC2=N1	REAL300020290387	1	46	-1.0	-50.36	360.72	3.79	-46.57
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290388	0	51	-1.0	-44.09	400.19	7.94	-36.15
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290388	1	51	-1.0	-44.08	400.25	7.96	-36.12
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290389	0	48	-1.0	-43.72	385.70	7.67	-36.05
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290389	1	48	-1.0	-43.71	385.65	7.64	-36.07
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1C	REAL300020290390	0	53	-1.0	-42.11	407.55	7.38	-34.73
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1C	REAL300020290390	1	53	-1.0	-42.13	407.61	7.41	-34.72
CN(CC(=O)N1CCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290391	0	54	-1.0	-44.18	418.13	5.93	-38.25
CN(CC(=O)N1CCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290391	1	54	-1.0	-44.14	418.19	5.94	-38.20
CN(CC(=O)N1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290392	0	51	-1.0	-44.52	395.36	4.98	-39.54
CN(CC(=O)N1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290392	1	51	-1.0	-44.54	395.42	5.00	-39.54
CC(C)CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290393	0	57	-1.0	-49.16	436.04	7.44	-41.72
CC(C)CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290393	1	57	-1.0	-49.15	436.10	7.46	-41.69
FC(F)(F)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290394	0	47	-1.0	-45.19	376.50	6.17	-39.02
FC(F)(F)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290394	1	47	-1.0	-45.17	376.55	6.18	-38.99
CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290395	0	50	-1.0	-42.88	396.30	7.17	-35.71
CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290395	1	50	-1.0	-42.92	396.36	7.19	-35.73
CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290396	0	47	-1.0	-43.87	369.22	6.56	-37.31
CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290396	1	47	-1.0	-43.87	369.29	6.58	-37.29
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290397	0	56	-1.0	-39.41	419.79	9.65	-29.76
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290397	1	56	-1.0	-39.42	419.84	9.66	-29.76
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290398	0	53	-1.0	-49.45	396.33	8.33	-41.12
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290398	1	53	-1.0	-49.41	396.27	8.32	-41.09
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290399	0	56	-1.0	-43.22	425.23	9.00	-34.22
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290399	1	56	-1.0	-43.22	425.28	9.02	-34.20
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290400	0	53	-1.0	-43.81	401.80	8.32	-35.49
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290400	1	53	-1.0	-43.84	401.75	8.31	-35.53
C(CC1=NN=C(N2CCCC3(CC3)CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290401	0	54	-1.0	-45.11	395.05	7.26	-37.85
C(CC1=NN=C(N2CCCC3(CC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290401	1	54	-1.0	-45.10	395.10	7.27	-37.83
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CC3)CC2)N1CC1CCOC1	REAL300020290402	0	51	-1.0	-40.91	389.76	7.65	-33.26
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CC3)CC2)N1CC1CCOC1	REAL300020290402	1	51	-1.0	-40.94	389.82	7.67	-33.27
CC=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290403	0	57	-1.0	-43.75	435.86	8.67	-35.08
CC=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290403	1	57	-1.0	-43.75	435.93	8.69	-35.06
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290404	0	54	-1.0	-43.72	417.79	7.82	-35.90
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290404	1	54	-1.0	-43.67	417.85	7.84	-35.83
COCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290405	0	55	-1.0	-44.19	423.56	4.79	-39.40
COCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290405	1	55	-1.0	-44.18	423.62	4.80	-39.38
COCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290406	0	52	-1.0	-51.16	395.54	4.38	-46.78
COCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290406	1	52	-1.0	-51.16	395.39	4.39	-46.77
NC(=O)CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290407	0	52	-1.0	-48.55	409.66	2.06	-46.49
NC(=O)CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290407	1	52	-1.0	-48.53	409.72	2.07	-46.46
NC(=O)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290408	0	49	-1.0	-49.61	387.45	2.14	-47.47
NC(=O)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290408	1	49	-1.0	-49.57	387.46	2.16	-47.41
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C2=CC=CC=C21	REAL300020290409	0	54	-1.0	-42.71	423.40	10.59	-32.12
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C2=CC=CC=C21	REAL300020290409	1	54	-1.0	-42.67	423.46	10.60	-32.07
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C2=CC=CC=C21	REAL300020290410	0	51	-1.0	-48.75	395.54	9.96	-38.79
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C2=CC=CC=C21	REAL300020290410	1	51	-1.0	-48.72	395.48	9.93	-38.79
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290411	0	59	0.0	-71.02	409.66	7.58	-63.44
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290411	1	59	0.0	-71.02	409.72	7.59	-63.43
CC1CC(F)(F)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290412	0	50	-1.0	-39.81	392.09	7.09	-32.72
CC1CC(F)(F)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290412	1	50	-1.0	-39.81	392.15	7.11	-32.70
CC1CC(F)(F)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290413	0	47	-1.0	-45.26	355.89	4.40	-40.86
CC1CC(F)(F)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290413	1	47	-1.0	-45.25	355.95	4.42	-40.83
OC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290414	0	52	-1.0	-44.55	408.19	5.36	-39.19
OC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290414	1	52	-1.0	-44.52	408.25	5.37	-39.15
OC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290415	0	49	-1.0	-51.76	381.13	4.66	-47.10
OC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290415	1	49	-1.0	-51.72	381.14	4.66	-47.06
CCON1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290416	0	53	-1.0	-42.00	408.81	4.77	-37.23
CCON1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290416	1	53	-1.0	-41.97	408.87	4.79	-37.18
CCON1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290417	0	50	-1.0	-50.48	379.22	3.75	-46.73
CCON1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290417	1	50	-1.0	-50.54	379.21	3.76	-46.78
FCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290418	0	53	-1.0	-44.53	405.73	7.70	-36.83
FCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290418	1	53	-1.0	-44.52	405.79	7.71	-36.81
FCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290419	0	50	-1.0	-52.35	375.69	7.15	-45.20
FCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290419	1	50	-1.0	-52.39	375.75	7.16	-45.23
CCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290420	0	55	-1.0	-44.39	428.58	4.61	-39.78
CCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290420	1	55	-1.0	-44.40	428.63	4.63	-39.77
CCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290421	0	52	-1.0	-51.47	399.97	3.92	-47.55
CCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290421	1	52	-1.0	-51.37	400.82	3.90	-47.47
FC(F)(F)[C@]12CC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290422	0	48	-1.0	-53.36	375.85	6.95	-46.41
FC(F)(F)[C@]12CC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290422	1	48	-1.0	-53.33	375.88	6.96	-46.37
CSC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290423	0	51	-1.0	-41.26	405.36	7.76	-33.50
CSC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290423	1	51	-1.0	-41.27	405.42	7.78	-33.49
CSC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290424	0	48	-1.0	-41.70	389.53	6.97	-34.73
CSC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290424	1	48	-1.0	-41.74	389.66	6.99	-34.75
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCCCC1	REAL300020290425	0	59	-1.0	-43.01	426.75	10.31	-32.70
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCCCC1	REAL300020290425	1	59	-1.0	-43.00	426.80	10.33	-32.67
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020290426	0	51	-1.0	-45.66	400.85	3.45	-42.21
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020290426	1	51	-1.0	-45.67	400.91	3.47	-42.20
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020290427	0	48	-1.0	-52.57	366.44	2.24	-50.33
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020290427	1	48	-1.0	-52.62	366.47	2.27	-50.35
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290428	0	54	-1.0	-51.27	411.84	4.81	-46.46
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290428	1	54	-1.0	-51.23	411.90	4.82	-46.41
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290429	0	51	-1.0	-59.33	388.39	5.47	-53.86
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290429	1	51	-1.0	-59.33	388.44	5.48	-53.85
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCCC1C#N	REAL300020290430	0	51	-1.0	-49.62	394.19	6.52	-43.10
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCCC1C#N	REAL300020290430	1	51	-1.0	-49.66	394.25	6.55	-43.11
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCCC1C#N	REAL300020290431	0	48	-1.0	-53.58	372.10	6.20	-47.38
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCCC1C#N	REAL300020290431	1	48	-1.0	-53.60	372.13	6.21	-47.39
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)[C@@H]1O	REAL300020290432	0	55	-1.0	-56.66	396.16	5.28	-51.38
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)[C@@H]1O	REAL300020290432	1	55	-1.0	-56.66	396.21	5.29	-51.37
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020290433	0	54	-1.0	-43.87	425.95	6.97	-36.90
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020290433	1	54	-1.0	-43.82	426.01	6.99	-36.83
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020290434	0	51	-1.0	-50.53	401.01	6.33	-44.20
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020290434	1	51	-1.0	-50.51	400.95	6.33	-44.18
C(CC1=NN=C(N2CC3CCC(C2)O3)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290435	0	49	-1.0	-42.84	370.50	5.67	-37.17
C(CC1=NN=C(N2CC3CCC(C2)O3)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290435	1	49	-1.0	-42.83	370.56	5.68	-37.15
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC(C2)O3)N1CC1CCOC1	REAL300020290436	0	46	-1.0	-44.80	352.61	4.58	-40.22
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC(C2)O3)N1CC1CCOC1	REAL300020290436	1	46	-1.0	-44.83	352.67	4.62	-40.21
COC(=O)[C@@]1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1C	REAL300020290437	0	53	-1.0	-43.67	408.30	6.56	-37.11
COC(=O)[C@@]1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1C	REAL300020290437	1	53	-1.0	-43.68	408.36	6.59	-37.09
FCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290438	0	51	-1.0	-40.86	398.96	5.51	-35.35
FCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290438	1	51	-1.0	-40.84	399.02	5.53	-35.31
FCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290439	0	48	-1.0	-46.11	375.40	5.61	-40.50
FCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290439	1	48	-1.0	-46.14	375.47	5.62	-40.52
COC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290440	0	54	-1.0	-45.17	394.33	3.89	-41.28
COC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290440	1	54	-1.0	-45.21	394.39	3.89	-41.32
COC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290441	0	51	-1.0	-43.61	392.87	4.39	-39.22
COC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290441	1	51	-1.0	-43.65	392.93	4.42	-39.23
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCS1(=O)=O	REAL300020290442	0	50	-1.0	-50.72	395.64	2.78	-47.94
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCS1(=O)=O	REAL300020290442	1	50	-1.0	-50.77	395.68	2.79	-47.98
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCS1(=O)=O	REAL300020290443	0	47	-1.0	-56.16	374.56	2.46	-53.70
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCS1(=O)=O	REAL300020290443	1	47	-1.0	-56.23	374.73	2.47	-53.76
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCN1C1CC1	REAL300020290444	0	54	-1.0	-45.44	402.57	4.12	-41.32
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCN1C1CC1	REAL300020290444	1	54	-1.0	-45.47	402.63	4.13	-41.34
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCN1C1CC1	REAL300020290445	0	51	-1.0	-43.72	401.08	5.00	-38.72
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCN1C1CC1	REAL300020290445	1	51	-1.0	-43.69	401.13	5.02	-38.67
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290446	0	52	-1.0	-45.24	406.21	7.25	-37.99
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290446	1	52	-1.0	-45.28	406.27	7.27	-38.01
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290447	0	49	-1.0	-55.35	379.20	5.79	-49.56
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290447	1	49	-1.0	-55.36	379.15	5.78	-49.58
CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=N1	REAL300020290448	0	44	-1.0	-46.35	353.87	6.00	-40.35
CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=N1	REAL300020290448	1	44	-1.0	-46.32	353.81	5.98	-40.34
CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=N1	REAL300020290449	0	41	-1.0	-51.86	333.66	5.62	-46.24
CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=N1	REAL300020290449	1	41	-1.0	-51.85	333.60	5.59	-46.26
CN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C=N1	REAL300020290450	0	48	-1.0	-48.54	386.61	8.05	-40.49
CN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C=N1	REAL300020290450	1	48	-1.0	-48.62	386.57	8.07	-40.55
FC(F)(F)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290451	0	47	-1.0	-45.56	365.98	5.56	-40.00
FC(F)(F)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290451	1	47	-1.0	-45.56	366.03	5.58	-39.98
C1=CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C[C@@H]2C1	REAL300020290452	0	52	-1.0	-45.32	385.31	7.63	-37.69
C1=CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C[C@@H]2C1	REAL300020290452	1	52	-1.0	-45.30	385.37	7.64	-37.66
C1=CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@@H]2C1	REAL300020290453	0	49	-1.0	-51.35	361.66	7.14	-44.21
C1=CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@@H]2C1	REAL300020290453	1	49	-1.0	-51.38	361.71	7.15	-44.23
CN1C(=O)[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@H]2C1=O	REAL300020290454	0	48	-1.0	-50.03	378.97	4.26	-45.77
CN1C(=O)[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@H]2C1=O	REAL300020290454	1	48	-1.0	-50.02	379.03	4.27	-45.75
C(CC1=NN=C(N2CCC3CSCC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290455	0	52	-1.0	-44.51	405.15	7.70	-36.81
C(CC1=NN=C(N2CCC3CSCC3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290455	1	52	-1.0	-44.50	405.21	7.72	-36.78
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CSCC3C2)N1CC1CCOC1	REAL300020290456	0	49	-1.0	-46.02	380.18	7.59	-38.43
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CSCC3C2)N1CC1CCOC1	REAL300020290456	1	49	-1.0	-46.03	380.24	7.61	-38.42
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290457	0	54	-1.0	-42.75	414.38	7.42	-35.33
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290457	1	54	-1.0	-42.75	414.45	7.44	-35.31
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCC21	REAL300020290458	0	57	0.0	-65.45	427.08	8.23	-57.22
C[N@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCC21	REAL300020290458	1	57	0.0	-72.81	422.60	7.21	-65.60
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCC21	REAL300020290458	1	57	0.0	-65.48	427.14	8.24	-57.24
C[N@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCC21	REAL300020290458	1	57	0.0	-72.82	422.66	7.23	-65.59
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC21	REAL300020290459	0	54	0.0	-82.65	382.53	6.25	-76.40
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC21	REAL300020290459	1	54	0.0	-77.94	397.10	7.07	-70.87
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC21	REAL300020290459	1	54	0.0	-82.75	382.57	6.27	-76.48
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC21	REAL300020290459	1	54	0.0	-77.91	397.08	7.08	-70.83
N#CCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290460	0	53	-1.0	-47.52	415.86	4.91	-42.61
N#CCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290460	1	53	-1.0	-47.52	415.91	4.93	-42.59
N#CCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290461	0	50	-1.0	-47.00	393.36	4.19	-42.81
N#CCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290461	1	50	-1.0	-47.01	393.42	4.22	-42.79
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC[N@@H+]1C	REAL300020290462	0	59	0.0	-72.34	424.85	7.61	-64.73
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC[N@H+]1C	REAL300020290462	1	59	0.0	-73.79	419.36	7.16	-66.63
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC[N@@H+]1C	REAL300020290462	1	59	0.0	-72.38	424.90	7.62	-64.76
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC[N@H+]1C	REAL300020290462	1	59	0.0	-73.79	419.41	7.17	-66.62
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC[N@@H+]1C	REAL300020290463	0	56	0.0	-69.35	407.84	7.15	-62.20
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC[N@H+]1C	REAL300020290463	1	56	0.0	-67.14	403.37	6.50	-60.64
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC[N@@H+]1C	REAL300020290463	1	56	0.0	-69.30	407.90	7.17	-62.13
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC[N@H+]1C	REAL300020290463	1	56	0.0	-67.11	403.43	6.53	-60.58
FC(F)COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290464	0	48	-1.0	-46.88	395.87	4.34	-42.54
FC(F)COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290464	1	48	-1.0	-46.92	395.93	4.35	-42.57
FC(F)COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290465	0	45	-1.0	-45.90	375.33	4.49	-41.41
FC(F)COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290465	1	45	-1.0	-45.93	375.38	4.51	-41.42
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290466	0	51	-1.0	-44.97	422.50	8.55	-36.42
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290466	1	51	-1.0	-44.95	422.58	8.57	-36.38
FCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020290467	0	47	-1.0	-43.45	383.16	7.97	-35.48
FCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020290467	1	47	-1.0	-43.47	383.10	7.96	-35.51
FCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020290468	0	44	-1.0	-46.01	369.19	7.48	-38.53
FCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020290468	1	44	-1.0	-46.03	369.13	7.46	-38.57
CC1CC(CO)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290469	0	54	-1.0	-41.44	413.07	4.38	-37.06
CC1CC(CO)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290469	1	54	-1.0	-41.48	413.13	4.39	-37.09
CC1CC(CO)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290470	0	51	-1.0	-43.45	390.44	3.54	-39.91
CC1CC(CO)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290470	1	51	-1.0	-43.45	390.50	3.54	-39.91
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290471	0	52	-1.0	-45.24	406.21	7.25	-37.99
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290471	1	52	-1.0	-45.28	406.27	7.27	-38.01
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290472	0	49	-1.0	-55.35	379.20	5.79	-49.56
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290472	1	49	-1.0	-55.36	379.15	5.78	-49.58
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290473	0	51	-1.0	-48.75	393.67	10.47	-38.28
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290473	1	51	-1.0	-48.78	393.73	10.48	-38.30
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290474	0	48	-1.0	-56.75	364.66	9.94	-46.81
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290474	1	48	-1.0	-56.77	364.64	9.93	-46.84
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCS1	REAL300020290475	0	48	-1.0	-42.74	379.20	6.52	-36.22
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCS1	REAL300020290475	1	48	-1.0	-42.76	379.26	6.53	-36.23
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCS1	REAL300020290476	0	45	-1.0	-43.67	359.11	6.55	-37.12
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCS1	REAL300020290476	1	45	-1.0	-43.67	359.17	6.57	-37.10
C(CC1=NN=C(N2CC3(C2)OCC2CC23)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290477	0	50	-1.0	-42.74	395.02	4.95	-37.79
C(CC1=NN=C(N2CC3(C2)OCC2CC23)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290477	1	50	-1.0	-42.79	395.07	4.96	-37.83
C(C1=N[N-]N=N1)C1=NN=C(N2CC3(C2)OCC2CC23)N1CC1CCOC1	REAL300020290478	0	47	-1.0	-42.31	373.13	4.11	-38.20
C(C1=NN=N[N-]1)C1=NN=C(N2CC3(C2)OCC2CC23)N1CC1CCOC1	REAL300020290478	1	47	-1.0	-42.33	373.20	4.13	-38.20
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2=CC=CN=C21	REAL300020290479	0	52	-1.0	-46.44	385.19	4.01	-42.43
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2=CC=CN=C21	REAL300020290479	1	52	-1.0	-46.43	385.24	4.04	-42.39
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2=CC=C[NH+]=C21	REAL300020290479	1	53	0.0	-62.95	387.59	4.78	-58.17
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCOCC1	REAL300020290480	0	55	-1.0	-44.83	413.29	3.65	-41.18
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCOCC1	REAL300020290480	1	55	-1.0	-44.86	413.35	3.67	-41.19
C1=CC2CC1CN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290481	0	46	-1.0	-41.71	363.87	6.50	-35.21
C1=CC2CC1CN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290481	1	46	-1.0	-41.70	363.93	6.52	-35.18
C1=CC2CC1CN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290482	0	43	-1.0	-52.72	325.13	5.60	-47.12
C1=CC2CC1CN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290482	1	43	-1.0	-52.66	325.07	5.59	-47.07
C1=CC2CC1CN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020290483	0	50	-1.0	-43.56	386.19	8.22	-35.34
C1=CC2CC1CN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020290483	1	50	-1.0	-43.61	386.27	8.21	-35.40
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCCO3)CC2)N1CC1CCOC1	REAL300020290484	0	55	-1.0	-47.70	406.01	6.69	-41.01
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCCCO3)CC2)N1CC1CCOC1	REAL300020290484	1	55	-1.0	-47.72	406.06	6.71	-41.01
C1=CC=C2C(=C1)[C@H]1CC[C@@H]2N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290485	0	52	-1.0	-47.60	392.99	8.12	-39.48
C1=CC=C2C(=C1)[C@H]1CC[C@@H]2N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290485	1	52	-1.0	-47.61	392.93	8.10	-39.51
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CC2)COCCO3)N1CC1CCOC1	REAL300020290486	0	53	-1.0	-44.78	397.19	4.49	-40.29
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CC2)COCCO3)N1CC1CCOC1	REAL300020290486	1	53	-1.0	-44.77	397.27	4.51	-40.26
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290487	0	52	-1.0	-42.54	401.18	8.41	-34.13
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290487	1	52	-1.0	-42.46	401.24	8.42	-34.04
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290488	0	49	-1.0	-47.27	376.95	8.12	-39.15
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290488	1	49	-1.0	-47.28	377.01	8.14	-39.14
CN(CC1=CC=NS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290489	0	46	-1.0	-41.28	382.20	5.91	-35.37
CN(CC1=CC=NS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290489	1	46	-1.0	-41.27	382.26	5.92	-35.35
CN(CC1=CC=NS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290490	0	43	-1.0	-50.77	356.95	4.88	-45.89
CN(CC1=CC=NS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290490	1	43	-1.0	-50.82	356.89	4.88	-45.94
FCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290491	0	47	-1.0	-44.60	366.52	6.53	-38.07
FCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290491	1	47	-1.0	-44.57	366.58	6.55	-38.02
FCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290492	0	44	-1.0	-50.21	344.68	6.00	-44.21
FCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290492	1	44	-1.0	-50.22	344.74	6.03	-44.19
FCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020290493	0	51	-1.0	-45.40	401.23	8.64	-36.76
FCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020290493	1	51	-1.0	-45.36	401.26	8.63	-36.73
FCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290494	0	50	-1.0	-46.56	387.43	6.68	-39.88
FCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290494	1	50	-1.0	-46.50	387.50	6.70	-39.80
FCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290495	0	47	-1.0	-43.47	369.15	5.83	-37.64
FCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290495	1	47	-1.0	-43.46	369.21	5.85	-37.61
FC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290496	0	47	-1.0	-42.86	366.28	6.38	-36.48
FC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290496	1	47	-1.0	-42.89	366.34	6.39	-36.50
FC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290497	0	44	-1.0	-41.36	354.17	6.02	-35.34
FC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290497	1	44	-1.0	-41.40	354.30	6.04	-35.36
FC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)CC1	REAL300020290498	0	51	-1.0	-42.55	402.90	8.86	-33.69
FC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)CC1	REAL300020290498	1	51	-1.0	-42.48	402.95	8.85	-33.63
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@H]2C1	REAL300020290499	0	52	-1.0	-58.92	389.98	4.74	-54.18
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@H]2C1	REAL300020290499	1	52	-1.0	-58.94	390.03	4.75	-54.19
C1=CSC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)=N1	REAL300020290500	0	47	-1.0	-53.42	375.54	5.71	-47.71
C1=CSC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)=N1	REAL300020290500	1	47	-1.0	-53.43	375.58	5.71	-47.72
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290501	0	54	-1.0	-49.80	396.73	7.85	-41.95
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290501	1	54	-1.0	-49.79	396.71	7.85	-41.94
COC1COCCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290502	0	55	-1.0	-41.26	411.28	4.39	-36.87
COC1COCCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290502	1	55	-1.0	-41.27	411.31	4.41	-36.86
COC1COCCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290503	0	52	-1.0	-42.09	391.72	3.68	-38.41
COC1COCCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290503	1	52	-1.0	-42.11	391.79	3.70	-38.41
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290504	0	56	0.0	-76.91	396.90	6.44	-70.47
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290504	1	56	0.0	-76.89	394.68	6.27	-70.62
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290504	1	55	-1.0	-44.14	387.04	3.80	-40.34
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290504	1	55	-1.0	-44.09	387.10	3.81	-40.28
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290505	0	53	0.0	-81.43	366.23	5.62	-75.81
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290505	1	53	0.0	-81.35	367.03	5.64	-75.71
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290505	1	53	0.0	-81.47	366.26	5.64	-75.83
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290505	1	53	0.0	-81.34	367.06	5.64	-75.70
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290505	1	52	-1.0	-41.26	386.46	4.73	-36.53
CC1C2=C(C=CS2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290506	0	48	-1.0	-44.21	385.54	6.72	-37.49
CC1C2=C(C=CS2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290506	1	48	-1.0	-44.21	385.59	6.74	-37.47
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290507	0	52	-1.0	-51.36	391.58	2.68	-48.68
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290507	1	52	-1.0	-51.30	391.68	2.68	-48.62
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCCN1	REAL300020290508	0	48	-1.0	-45.60	369.84	2.66	-42.94
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCCN1	REAL300020290508	1	48	-1.0	-45.59	369.90	2.68	-42.91
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCCN1	REAL300020290509	0	45	-1.0	-48.02	351.72	2.83	-45.19
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCCN1	REAL300020290509	1	45	-1.0	-48.00	351.78	2.85	-45.15
C(CC1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290510	0	49	-1.0	-44.68	371.59	4.21	-40.47
C(CC1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290510	1	49	-1.0	-44.66	371.65	4.23	-40.43
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1CC1CCOC1	REAL300020290511	0	46	-1.0	-51.69	343.50	3.55	-48.14
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1CC1CCOC1	REAL300020290511	1	46	-1.0	-51.66	343.55	3.55	-48.11
O=C1NCCC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020290512	0	52	-1.0	-57.49	392.83	3.45	-54.04
O=C1NCCC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020290512	1	52	-1.0	-57.51	392.88	3.48	-54.03
CONC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290513	0	52	-1.0	-60.84	400.70	4.89	-55.95
CONC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290513	1	52	-1.0	-60.89	400.76	4.89	-56.00
CC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290514	0	47	-1.0	-41.99	379.66	6.39	-35.60
CC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290514	1	47	-1.0	-41.99	379.72	6.41	-35.58
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC2=CC=CC=C21	REAL300020290515	0	54	-1.0	-40.81	406.21	8.45	-32.36
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC2=CC=CC=C21	REAL300020290515	1	54	-1.0	-40.83	406.26	8.46	-32.37
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2=CC=CC=C21	REAL300020290516	0	51	-1.0	-50.00	387.57	7.92	-42.08
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2=CC=CC=C21	REAL300020290516	1	51	-1.0	-49.96	387.57	7.90	-42.06
CS(=N)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290517	0	50	-1.0	-52.42	397.82	0.96	-51.46
CS(=N)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290517	1	50	-1.0	-52.44	397.89	0.97	-51.47
FC(F)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290518	0	48	-1.0	-46.78	385.21	4.66	-42.12
FC(F)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290518	1	48	-1.0	-46.79	385.27	4.68	-42.11
FC(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290519	0	45	-1.0	-48.98	362.41	4.69	-44.29
FC(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290519	1	45	-1.0	-48.95	362.43	4.72	-44.23
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290520	0	48	-1.0	-50.46	382.00	2.39	-48.07
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290520	1	48	-1.0	-50.44	382.04	2.42	-48.02
CC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290521	0	52	-1.0	-44.80	407.44	7.18	-37.62
CC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290521	1	52	-1.0	-44.83	407.50	7.20	-37.63
CC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290522	0	49	-1.0	-44.89	391.83	6.40	-38.49
CC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290522	1	49	-1.0	-44.95	391.96	6.42	-38.53
CC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290523	0	52	-1.0	-46.40	409.00	7.29	-39.11
CC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290523	1	52	-1.0	-46.40	409.05	7.31	-39.09
CC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290524	0	49	-1.0	-51.80	386.45	5.58	-46.22
CC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290524	1	49	-1.0	-51.79	386.50	5.60	-46.19
CC(C)(O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290525	0	57	-1.0	-39.42	425.38	5.43	-33.99
CC(C)(O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290525	1	57	-1.0	-39.43	425.43	5.44	-33.99
CC(C)(O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290526	0	54	-1.0	-48.67	401.33	4.77	-43.90
CC(C)(O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290526	1	54	-1.0	-48.67	401.38	4.80	-43.87
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C(C)(C)C	REAL300020290527	0	58	-1.0	-40.29	421.07	8.43	-31.86
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C(C)(C)C	REAL300020290527	1	58	-1.0	-40.26	421.12	8.45	-31.81
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C(C)(C)C	REAL300020290528	0	55	-1.0	-40.98	406.94	7.80	-33.18
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C(C)(C)C	REAL300020290528	1	55	-1.0	-40.99	407.01	7.83	-33.16
OCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290529	0	52	-1.0	-42.03	403.79	2.03	-40.00
OCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290529	1	52	-1.0	-42.10	403.85	2.04	-40.06
OCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290530	0	49	-1.0	-44.56	385.79	1.84	-42.72
OCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290530	1	49	-1.0	-44.57	385.84	1.87	-42.70
OCC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290531	0	55	-1.0	-45.62	409.41	1.85	-43.77
OCC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290531	1	55	-1.0	-45.60	409.46	1.87	-43.73
OCC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290532	0	52	-1.0	-47.05	391.02	1.30	-45.75
OCC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290532	1	52	-1.0	-47.05	391.07	1.32	-45.73
C1=CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290533	0	49	-1.0	-43.55	379.83	6.93	-36.62
C1=CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290533	1	49	-1.0	-43.61	379.89	6.95	-36.66
C1=CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290534	0	46	-1.0	-44.48	358.84	6.50	-37.98
C1=CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290534	1	46	-1.0	-44.50	358.79	6.48	-38.02
CN1C=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)=N1	REAL300020290535	0	54	-1.0	-46.35	427.33	7.14	-39.21
CN1C=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)=N1	REAL300020290535	1	54	-1.0	-46.32	427.40	7.17	-39.15
N#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290536	0	48	-1.0	-49.30	380.63	6.24	-43.06
N#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290536	1	48	-1.0	-49.27	380.70	6.26	-43.01
N#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290537	0	45	-1.0	-47.50	362.58	5.38	-42.12
N#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290537	1	45	-1.0	-47.50	362.64	5.40	-42.10
C(CC1=NN=C(N2CCC(C3CCCO3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290538	0	55	-1.0	-45.09	419.72	6.88	-38.21
C(CC1=NN=C(N2CCC(C3CCCO3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290538	1	55	-1.0	-45.09	419.78	6.90	-38.19
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCO3)C2)N1CC1CCOC1	REAL300020290539	0	52	-1.0	-47.36	395.53	5.52	-41.84
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCO3)C2)N1CC1CCOC1	REAL300020290539	1	52	-1.0	-47.35	395.58	5.55	-41.80
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1C1=CC=CC=C1	REAL300020290540	0	54	-1.0	-53.09	396.13	8.50	-44.59
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1C1=CC=CC=C1	REAL300020290540	1	54	-1.0	-53.08	396.07	8.49	-44.59
COC(=O)N[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290541	0	52	-1.0	-42.92	407.78	3.69	-39.23
COC(=O)N[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290541	1	52	-1.0	-42.91	407.83	3.71	-39.20
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290542	0	49	-1.0	-53.59	386.91	2.94	-50.65
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290542	1	49	-1.0	-53.58	386.95	2.95	-50.63
C(CC1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290543	0	49	-1.0	-42.54	373.51	4.97	-37.57
C(CC1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290543	1	49	-1.0	-42.57	373.57	4.99	-37.58
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1CC1CCOC1	REAL300020290544	0	46	-1.0	-50.74	346.88	3.80	-46.94
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1CC1CCOC1	REAL300020290544	1	46	-1.0	-50.74	346.91	3.81	-46.93
FC[C@]12CC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290545	0	51	-1.0	-44.87	389.61	8.12	-36.75
FC[C@]12CC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290545	1	51	-1.0	-44.86	389.67	8.13	-36.73
FC[C@]12CC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290546	0	48	-1.0	-46.29	372.87	7.48	-38.81
FC[C@]12CC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290546	1	48	-1.0	-46.30	372.93	7.51	-38.79
C(CC1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290547	0	49	-1.0	-41.35	380.44	7.04	-34.31
C(CC1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290547	1	49	-1.0	-41.39	380.49	7.05	-34.34
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1CC1CCOC1	REAL300020290548	0	46	-1.0	-51.90	355.68	5.75	-46.15
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1CC1CCOC1	REAL300020290548	1	46	-1.0	-51.89	355.71	5.77	-46.12
CC1=NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)=NO1	REAL300020290549	0	49	-1.0	-56.32	382.43	3.85	-52.47
CC1=NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)=NO1	REAL300020290549	1	49	-1.0	-56.32	382.51	3.86	-52.46
FC(F)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCC1	REAL300020290550	0	50	-1.0	-50.69	378.62	6.13	-44.56
FC(F)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCC1	REAL300020290550	1	50	-1.0	-50.65	378.68	6.14	-44.51
FC(F)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCC1	REAL300020290551	0	47	-1.0	-47.10	368.60	5.67	-41.43
FC(F)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCC1	REAL300020290551	1	47	-1.0	-47.10	368.66	5.70	-41.40
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290552	0	51	-1.0	-41.17	396.28	5.73	-35.44
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290552	1	51	-1.0	-41.13	396.34	5.75	-35.38
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290553	0	48	-1.0	-41.82	380.45	4.94	-36.88
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290553	1	48	-1.0	-41.83	380.57	4.96	-36.87
C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCCN2N=N1	REAL300020290554	0	50	-1.0	-46.46	392.03	4.84	-41.62
C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCCN2N=N1	REAL300020290554	1	50	-1.0	-46.45	392.08	4.86	-41.59
C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCCN2N=N1	REAL300020290555	0	47	-1.0	-45.05	369.95	4.09	-40.96
C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCCN2N=N1	REAL300020290555	1	47	-1.0	-45.06	370.01	4.11	-40.95
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@H]1C	REAL300020290556	0	53	-1.0	-60.10	393.18	5.72	-54.38
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@H]1C	REAL300020290556	1	53	-1.0	-60.07	393.19	5.74	-54.33
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290557	0	56	-1.0	-43.76	412.87	7.46	-36.30
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290557	1	56	-1.0	-43.78	412.93	7.47	-36.31
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290558	0	53	-1.0	-45.35	389.83	6.68	-38.67
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290558	1	53	-1.0	-45.37	389.89	6.70	-38.67
CN1C=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)=N1	REAL300020290559	0	54	-1.0	-58.86	413.66	6.53	-52.33
CN1C=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)=N1	REAL300020290559	1	54	-1.0	-58.80	413.90	6.53	-52.27
C=CCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290560	0	55	-1.0	-45.40	417.35	4.79	-40.61
C=CCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290560	1	55	-1.0	-45.39	417.40	4.81	-40.58
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290561	0	52	-1.0	-43.85	407.98	4.61	-39.24
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290561	1	52	-1.0	-43.81	408.04	4.64	-39.17
CN(CCCF)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290562	0	46	-1.0	-39.70	363.94	5.87	-33.83
CN(CCCF)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290562	1	46	-1.0	-39.72	364.00	5.89	-33.83
CN(CCCF)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290563	0	43	-1.0	-41.22	348.38	5.30	-35.92
CN(CCCF)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290563	1	43	-1.0	-41.18	348.43	5.33	-35.85
CN(CCCF)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020290564	0	50	-1.0	-43.58	405.14	8.54	-35.04
CN(CCCF)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020290564	1	50	-1.0	-43.54	405.26	8.54	-35.00
C1=NN(C2CCCC2)C=C1NC1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290565	0	54	-1.0	-44.76	416.76	8.65	-36.11
C1=NN(C2CCCC2)C=C1NC1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290565	1	54	-1.0	-44.78	416.70	8.64	-36.14
C1=NN(C2CCCC2)C=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290566	0	51	-1.0	-50.55	396.55	8.27	-42.28
C1=NN(C2CCCC2)C=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290566	1	51	-1.0	-50.58	396.50	8.25	-42.33
C1=CC=C(CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C2CC2)C=C1	REAL300020290567	0	54	-1.0	-43.14	421.00	9.44	-33.70
C1=CC=C(CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C2CC2)C=C1	REAL300020290567	1	54	-1.0	-43.13	421.06	9.46	-33.67
FC(F)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC12CC2	REAL300020290568	0	51	-1.0	-43.56	401.88	7.73	-35.83
FC(F)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC12CC2	REAL300020290568	1	51	-1.0	-43.54	401.94	7.74	-35.80
FC(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC12CC2	REAL300020290569	0	48	-1.0	-43.73	379.69	6.97	-36.76
FC(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC12CC2	REAL300020290569	1	48	-1.0	-43.71	379.78	6.99	-36.72
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290570	0	50	-1.0	-49.05	399.59	4.55	-44.50
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290570	1	50	-1.0	-49.10	399.65	4.56	-44.54
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290571	0	47	-1.0	-52.86	378.38	4.77	-48.09
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290571	1	47	-1.0	-52.85	378.44	4.79	-48.06
C1=NN(C2CCC2)C=C1NC1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290572	0	51	-1.0	-45.91	400.59	7.97	-37.94
C1=NN(C2CCC2)C=C1NC1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290572	1	51	-1.0	-45.92	400.54	7.96	-37.96
C1=NN(C2CCC2)C=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290573	0	48	-1.0	-50.63	378.40	7.44	-43.19
C1=NN(C2CCC2)C=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290573	1	48	-1.0	-50.55	378.34	7.44	-43.11
COC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290574	0	45	-1.0	-41.97	370.11	3.11	-38.86
COC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290574	1	45	-1.0	-41.96	370.17	3.14	-38.82
C(CC1=NN=C(N2CCC3CCC(C3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290575	0	54	-1.0	-42.74	394.62	8.51	-34.23
C(CC1=NN=C(N2CCC3CCC(C3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290575	1	54	-1.0	-42.69	394.68	8.52	-34.17
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCC(C3)C2)N1CC1CCOC1	REAL300020290576	0	51	-1.0	-50.42	367.07	7.83	-42.59
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCC(C3)C2)N1CC1CCOC1	REAL300020290576	1	51	-1.0	-50.38	367.02	7.83	-42.55
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290577	0	57	0.0	-83.88	399.92	5.90	-77.98
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290577	1	57	0.0	-61.73	422.52	7.31	-54.42
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290577	1	57	0.0	-83.89	399.98	5.91	-77.98
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290577	1	57	0.0	-61.72	422.58	7.32	-54.40
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290578	0	54	0.0	-67.23	398.27	6.11	-61.12
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290578	1	54	0.0	-64.16	402.43	7.43	-56.73
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290578	1	54	0.0	-67.23	398.33	6.13	-61.10
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@]2(C)C1	REAL300020290578	1	54	0.0	-64.18	402.48	7.46	-56.72
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290579	0	52	-1.0	-44.96	397.15	2.75	-42.21
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290579	1	52	-1.0	-44.94	397.20	2.77	-42.17
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290580	0	56	-1.0	-40.37	419.86	9.16	-31.21
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290580	1	56	-1.0	-40.34	419.92	9.18	-31.16
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290581	0	53	-1.0	-41.15	403.78	8.56	-32.59
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290581	1	53	-1.0	-41.15	403.85	8.58	-32.57
CN(CC1=CC(C#N)=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290582	0	48	-1.0	-41.48	407.92	7.58	-33.90
CN(CC1=CC(C#N)=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290582	1	48	-1.0	-41.50	407.98	7.59	-33.91
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290583	0	45	-1.0	-50.70	383.24	6.58	-44.12
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290583	1	45	-1.0	-50.75	383.18	6.58	-44.17
CN(CCN1CCNC(=O)C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290584	0	53	-1.0	-52.96	406.70	0.85	-52.11
CN(CCN1CCNC(=O)C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290584	1	53	-1.0	-52.96	406.76	0.87	-52.09
C(CC1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290585	0	48	-1.0	-42.07	366.81	7.06	-35.01
C(CC1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290585	1	48	-1.0	-42.06	366.87	7.07	-34.99
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1CC1CCOC1	REAL300020290586	0	45	-1.0	-47.37	340.77	6.46	-40.91
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1CC1CCOC1	REAL300020290586	1	45	-1.0	-47.39	340.83	6.49	-40.90
C1=CC(C2=NN=C(N3C[C@@H]4CC[C@@H]4C3)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020290587	0	52	-1.0	-46.12	395.41	8.31	-37.81
C1=CC(C2=NN=C(N3C[C@@H]4CC[C@@H]4C3)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020290587	1	52	-1.0	-46.11	395.45	8.31	-37.80
C[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020290588	0	56	-1.0	-42.00	414.22	8.55	-33.45
C[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020290588	1	56	-1.0	-42.01	414.28	8.57	-33.44
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020290589	0	53	-1.0	-52.32	383.38	7.24	-45.08
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020290589	1	53	-1.0	-52.34	383.42	7.24	-45.10
C[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020290590	0	58	-1.0	-44.88	415.86	7.97	-36.91
C[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020290590	1	58	-1.0	-44.83	415.92	7.98	-36.85
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020290591	0	55	-1.0	-52.01	389.92	7.36	-44.65
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020290591	1	55	-1.0	-52.04	389.39	7.35	-44.69
O=S1(=O)C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@H]2C1	REAL300020290592	0	48	-1.0	-60.57	374.58	2.19	-58.38
O=S1(=O)C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@H]2C1	REAL300020290592	1	48	-1.0	-60.57	374.61	2.21	-58.36
C(CC1=NN=C(N2CCCC2C2OCCO2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290593	0	53	-1.0	-44.96	410.66	5.36	-39.60
C(CC1=NN=C(N2CCCC2C2OCCO2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290593	1	53	-1.0	-44.96	410.71	5.38	-39.58
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2OCCO2)N1CC1CCOC1	REAL300020290594	0	50	-1.0	-47.00	385.96	4.09	-42.91
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2OCCO2)N1CC1CCOC1	REAL300020290594	1	50	-1.0	-46.97	386.02	4.12	-42.85
CN1N=NC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290595	0	50	-1.0	-45.96	388.79	4.86	-41.10
CN1N=NC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290595	1	50	-1.0	-45.95	388.85	4.87	-41.08
CN1N=NC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290596	0	47	-1.0	-49.99	366.87	4.13	-45.86
CN1N=NC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290596	1	47	-1.0	-49.97	366.94	4.15	-45.82
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290597	0	53	-1.0	-44.74	421.26	6.86	-37.88
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290597	1	53	-1.0	-44.78	421.32	6.88	-37.90
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290598	0	50	-1.0	-49.99	395.38	6.01	-43.98
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290598	1	50	-1.0	-50.01	395.44	6.04	-43.97
O=C1NCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)O1	REAL300020290599	0	50	-1.0	-59.03	390.23	2.36	-56.67
O=C1NCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)O1	REAL300020290599	1	50	-1.0	-59.01	390.29	2.38	-56.63
NC(=O)C12CCC(CC1)N2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290600	0	52	-1.0	-47.87	396.98	3.45	-44.42
NC(=O)C12CCC(CC1)N2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290600	1	52	-1.0	-47.86	397.04	3.47	-44.39
NC(=O)C12CCC(CC1)N2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290601	0	49	-1.0	-51.30	374.04	2.84	-48.46
NC(=O)C12CCC(CC1)N2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290601	1	49	-1.0	-51.31	374.08	2.87	-48.44
NS(=O)(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290602	0	49	-1.0	-54.52	392.33	0.91	-53.61
NS(=O)(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290602	1	49	-1.0	-54.50	392.39	0.93	-53.57
CSCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290603	0	54	-1.0	-43.05	424.60	7.96	-35.09
CSCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290603	1	54	-1.0	-43.01	424.66	7.98	-35.03
CSCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290604	0	51	-1.0	-44.55	403.10	7.18	-37.37
CSCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290604	1	51	-1.0	-44.49	403.16	7.20	-37.29
CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290605	0	51	-1.0	-43.33	384.45	4.49	-38.84
CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290605	1	51	-1.0	-43.34	384.51	4.51	-38.83
CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290606	0	48	-1.0	-46.40	363.67	3.56	-42.84
CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290606	1	48	-1.0	-46.43	363.74	3.58	-42.85
C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCN2N=C1C1CC1	REAL300020290607	0	52	-1.0	-46.74	406.06	6.82	-39.92
C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCN2N=C1C1CC1	REAL300020290607	1	52	-1.0	-46.71	406.13	6.85	-39.86
CCN(CCC(=O)NC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290608	0	53	-1.0	-49.50	416.42	3.61	-45.89
CCN(CCC(=O)NC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290608	1	53	-1.0	-49.52	416.48	3.63	-45.89
CCN(CCC(=O)NC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290609	0	50	-1.0	-50.38	400.02	3.13	-47.25
CCN(CCC(=O)NC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290609	1	50	-1.0	-50.37	400.07	3.15	-47.22
FC1(C2CC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290610	0	54	-1.0	-44.32	411.10	8.12	-36.20
FC1(C2CC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290610	1	54	-1.0	-44.34	411.16	8.14	-36.20
FC1(C2CC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290611	0	51	-1.0	-46.57	390.09	7.40	-39.17
FC1(C2CC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290611	1	51	-1.0	-46.66	390.14	7.42	-39.24
C1=CC2=C(CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2)S1	REAL300020290612	0	48	-1.0	-40.32	380.10	7.22	-33.10
C1=CC2=C(CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2)S1	REAL300020290612	1	48	-1.0	-40.30	380.16	7.23	-33.07
C1=CC2=C(CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)S1	REAL300020290613	0	45	-1.0	-41.79	362.04	6.59	-35.20
C1=CC2=C(CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)S1	REAL300020290613	1	45	-1.0	-41.75	362.11	6.61	-35.14
C#CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290614	0	51	-1.0	-39.73	396.20	8.19	-31.54
C#CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290614	1	51	-1.0	-39.72	396.26	8.20	-31.52
C#CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290615	0	48	-1.0	-42.61	381.02	7.03	-35.58
C#CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290615	1	48	-1.0	-42.58	381.08	7.06	-35.52
C=CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290616	0	54	-1.0	-43.13	409.13	7.91	-35.22
C=CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290616	1	54	-1.0	-43.12	409.19	7.92	-35.20
C=CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290617	0	51	-1.0	-42.99	392.38	7.27	-35.72
C=CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290617	1	51	-1.0	-42.99	392.44	7.29	-35.70
FC1(F)CCC2CC1CN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290618	0	51	-1.0	-45.41	375.86	6.00	-39.41
FC1(F)CCC2CC1CN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290618	1	51	-1.0	-45.42	375.92	6.01	-39.41
FC1(F)CCC2CC1CN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290619	0	48	-1.0	-45.22	354.93	5.19	-40.03
FC1(F)CCC2CC1CN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290619	1	48	-1.0	-45.21	354.99	5.22	-39.99
N#CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020290620	0	49	-1.0	-42.60	392.50	7.91	-34.69
N#CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020290620	1	49	-1.0	-42.60	392.56	7.94	-34.66
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CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290648	0	56	0.0	-63.43	403.31	6.98	-56.45
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C[C@@]12CSC[C@@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290665	0	52	-1.0	-45.48	396.94	6.79	-38.69
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290665	1	52	-1.0	-45.46	397.00	6.80	-38.66
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290666	0	49	-1.0	-51.16	373.30	6.25	-44.91
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290666	1	49	-1.0	-51.18	373.36	6.27	-44.91
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CN(C[C@@H]1CCC(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290677	1	48	-1.0	-53.35	372.07	2.79	-50.56
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CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290679	0	51	-1.0	-56.52	387.14	10.75	-45.77
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290679	1	51	-1.0	-56.49	387.11	10.73	-45.76
C(CC1=NN=C(N2C[C@@H]3CCC[C@@H]3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290680	0	51	-1.0	-43.80	381.37	6.80	-37.00
C(CC1=NN=C(N2C[C@@H]3CCC[C@@H]3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290680	1	51	-1.0	-43.81	381.43	6.81	-37.00
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CCC[C@@H]3C2)N1CC1CCOC1	REAL300020290681	0	48	-1.0	-43.28	362.29	6.66	-36.62
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CCC[C@@H]3C2)N1CC1CCOC1	REAL300020290681	1	48	-1.0	-43.25	362.35	6.69	-36.56
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C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290682	1	45	-1.0	-43.31	352.28	5.62	-37.69
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290683	0	42	-1.0	-51.16	329.29	5.17	-45.99
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290683	1	42	-1.0	-51.21	329.24	5.17	-46.04
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020290684	0	49	-1.0	-45.99	374.81	6.81	-39.18
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020290684	1	49	-1.0	-45.99	374.85	6.80	-39.19
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290685	0	53	-1.0	-47.91	412.98	0.51	-47.40
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290685	1	53	-1.0	-47.85	413.05	0.53	-47.32
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290686	0	50	-1.0	-48.37	395.06	-0.16	-48.53
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290686	1	50	-1.0	-48.37	395.12	-0.14	-48.51
C(CC1=NN=C(N2CC34CCC3(COC4)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290687	0	53	-1.0	-45.00	395.88	5.42	-39.58
C(CC1=NN=C(N2CC34CCC3(COC4)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290687	1	53	-1.0	-45.01	395.94	5.43	-39.58
C(C1=N[N-]N=N1)C1=NN=C(N2CC34CCC3(COC4)C2)N1CC1CCOC1	REAL300020290688	0	50	-1.0	-47.98	378.13	5.44	-42.54
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CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCOCC1	REAL300020290700	1	51	-1.0	-44.06	386.64	4.72	-39.34
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCOCC1	REAL300020290701	0	48	-1.0	-44.09	365.19	3.92	-40.17
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C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCO3)C2)N1CC1CCOC1	REAL300020290707	0	49	-1.0	-54.33	371.36	4.96	-49.37
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CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCC2=CC=CC=C2C1	REAL300020290709	0	54	-1.0	-56.82	407.22	8.42	-48.40
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCC2=CC=CC=C2C1	REAL300020290709	1	54	-1.0	-56.77	407.30	8.42	-48.35
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290710	0	53	-1.0	-49.65	416.59	7.53	-42.12
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CC1(C)COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290711	0	54	-1.0	-40.41	396.06	6.52	-33.89
CC1(C)COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290711	1	54	-1.0	-40.43	396.11	6.54	-33.89
CC1(C)COCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290712	0	51	-1.0	-44.17	360.34	5.07	-39.10
CC1(C)COCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290712	1	51	-1.0	-44.18	360.39	5.10	-39.08
C(CC1=NN=C(N2CCC3COCCC32)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290713	0	52	-1.0	-45.57	381.49	4.38	-41.19
C(CC1=NN=C(N2CCC3COCCC32)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290713	1	52	-1.0	-45.57	381.55	4.39	-41.18
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3COCCC32)N1CC1CCOC1	REAL300020290714	0	49	-1.0	-52.53	349.71	3.77	-48.76
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3COCCC32)N1CC1CCOC1	REAL300020290714	1	49	-1.0	-52.57	349.66	3.78	-48.79
C=CCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290715	0	53	-1.0	-39.68	413.16	7.86	-31.82
C=CCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290715	1	53	-1.0	-39.70	413.22	7.87	-31.83
C=CCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290716	0	50	-1.0	-41.10	397.60	7.29	-33.81
C=CCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290716	1	50	-1.0	-41.04	397.65	7.31	-33.73
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CC(F)(F)C1	REAL300020290717	0	47	-1.0	-45.10	377.49	6.45	-38.65
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CC(F)(F)C1	REAL300020290717	1	47	-1.0	-45.11	377.55	6.46	-38.65
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CC(F)(F)C1	REAL300020290718	0	44	-1.0	-41.71	359.28	6.31	-35.40
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CC(F)(F)C1	REAL300020290718	1	44	-1.0	-41.69	359.34	6.31	-35.38
COC1CCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290719	0	51	-1.0	-45.38	395.54	5.08	-40.30
COC1CCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290719	1	51	-1.0	-45.40	395.60	5.10	-40.30
COC1CCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290720	0	48	-1.0	-44.67	375.70	4.44	-40.23
COC1CCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290720	1	48	-1.0	-44.70	375.75	4.46	-40.24
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290721	0	52	-1.0	-43.71	406.60	6.40	-37.31
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290721	1	52	-1.0	-43.71	406.65	6.41	-37.30
C=CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290722	0	49	-1.0	-46.01	387.82	5.04	-40.97
C=CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290722	1	49	-1.0	-46.00	387.88	5.07	-40.93
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290723	0	52	-1.0	-44.32	406.58	8.10	-36.22
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290723	1	52	-1.0	-44.30	406.63	8.12	-36.18
C#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290724	0	49	-1.0	-51.32	376.54	7.56	-43.76
C#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290724	1	49	-1.0	-51.29	376.60	7.57	-43.72
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(C3CCCC3)C2)N1CC1CCOC1	REAL300020290725	0	57	-1.0	-51.81	414.00	8.38	-43.43
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(C3CCCC3)C2)N1CC1CCOC1	REAL300020290725	1	57	-1.0	-51.74	414.24	8.38	-43.36
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC[C@H]1C	REAL300020290726	0	54	-1.0	-43.70	412.16	5.89	-37.81
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC[C@H]1C	REAL300020290726	1	54	-1.0	-43.68	412.21	5.90	-37.78
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC[C@H]1C	REAL300020290727	0	51	-1.0	-52.44	382.41	5.39	-47.05
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC[C@H]1C	REAL300020290727	1	51	-1.0	-52.48	382.47	5.39	-47.09
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(=O)N1	REAL300020290728	0	51	-1.0	-44.49	397.70	3.60	-40.89
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(=O)N1	REAL300020290728	1	51	-1.0	-44.51	397.76	3.62	-40.89
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(=O)N1	REAL300020290729	0	48	-1.0	-50.68	358.08	1.16	-49.52
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(=O)N1	REAL300020290729	1	48	-1.0	-50.67	358.13	1.18	-49.49
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@H]1COC	REAL300020290730	0	55	-1.0	-45.08	422.89	4.21	-40.87
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@H]1COC	REAL300020290730	1	55	-1.0	-45.07	422.95	4.23	-40.84
O=C1NCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(F)F	REAL300020290731	0	48	-1.0	-48.26	351.19	2.35	-45.91
O=C1NCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(F)F	REAL300020290731	1	48	-1.0	-48.31	351.24	2.36	-45.95
CC(C)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290732	0	55	-1.0	-39.41	417.91	7.80	-31.61
CC(C)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290732	1	55	-1.0	-39.44	417.97	7.82	-31.62
CC(C)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290733	0	52	-1.0	-40.80	402.35	7.24	-33.56
CC(C)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290733	1	52	-1.0	-40.78	402.41	7.27	-33.51
CN(CCN1C=CN=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290734	0	50	-1.0	-46.31	396.15	8.07	-38.24
CN(CCN1C=CN=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290734	1	50	-1.0	-46.34	396.21	8.09	-38.25
CN(CCN1C=CN=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290735	0	47	-1.0	-45.17	382.14	6.97	-38.20
CN(CCN1C=CN=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290735	1	47	-1.0	-45.15	382.19	6.99	-38.16
CN(CCCN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290736	0	56	-1.0	-45.23	424.86	3.68	-41.55
CN(CCCN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290736	1	56	-1.0	-45.26	424.93	3.70	-41.56
CN(CCC[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290736	1	57	0.0	-75.89	424.71	5.63	-70.26
CN(CC1CCSCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290737	0	54	-1.0	-44.46	419.19	8.17	-36.29
CN(CC1CCSCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290737	1	54	-1.0	-44.45	419.24	8.18	-36.27
CN(CC1CCSCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290738	0	51	-1.0	-47.18	393.74	7.75	-39.43
CN(CC1CCSCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290738	1	51	-1.0	-47.17	393.80	7.77	-39.40
CN(CC1=CN=CN1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290739	0	50	-1.0	-41.60	394.85	7.71	-33.89
CN(CC1=CN=CN1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290739	1	50	-1.0	-41.60	394.91	7.73	-33.87
CN(CC1=CN=CN1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290740	0	47	-1.0	-47.22	369.01	6.29	-40.93
CN(CC1=CN=CN1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290740	1	47	-1.0	-47.24	369.10	6.30	-40.94
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(C)(C)CO1	REAL300020290741	0	57	-1.0	-43.01	416.95	5.41	-37.60
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(C)(C)CO1	REAL300020290741	1	57	-1.0	-42.98	417.00	5.42	-37.56
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(C)(C)CO1	REAL300020290742	0	54	-1.0	-43.78	394.89	4.60	-39.18
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(C)(C)CO1	REAL300020290742	1	54	-1.0	-43.79	394.95	4.62	-39.17
COCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290743	0	57	-1.0	-46.72	415.83	5.44	-41.28
COCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290743	1	57	-1.0	-46.70	415.91	5.46	-41.24
COCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290744	0	54	-1.0	-47.42	408.80	6.55	-40.87
COCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290744	1	54	-1.0	-47.43	408.86	6.58	-40.85
CN1C=NC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290745	0	54	-1.0	-44.89	425.07	8.56	-36.33
CN1C=NC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290745	1	54	-1.0	-44.85	425.15	8.58	-36.27
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290745	1	55	0.0	-67.78	424.93	8.57	-59.21
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290746	0	52	-1.0	-47.46	358.87	4.64	-42.82
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290746	1	52	-1.0	-47.45	358.92	4.67	-42.78
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290747	0	49	-1.0	-52.17	335.37	3.82	-48.35
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290747	1	49	-1.0	-52.19	335.43	3.83	-48.36
CC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1F	REAL300020290748	0	51	-1.0	-44.00	397.46	8.21	-35.79
CC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1F	REAL300020290748	1	51	-1.0	-43.98	397.53	8.23	-35.75
CC1=CC(F)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020290749	0	51	-1.0	-53.89	384.06	7.53	-46.36
CC1=CC(F)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020290749	1	51	-1.0	-53.84	384.09	7.53	-46.31
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290750	0	55	-1.0	-50.82	394.43	6.57	-44.25
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290750	1	55	-1.0	-50.90	394.45	6.57	-44.33
C(CC1=NN=C(N2CC3CCCC(C2)O3)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290751	0	52	-1.0	-44.37	379.34	7.09	-37.28
C(CC1=NN=C(N2CC3CCCC(C2)O3)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290751	1	52	-1.0	-44.40	379.40	7.10	-37.30
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCC(C2)O3)N1CC1CCOC1	REAL300020290752	0	49	-1.0	-42.92	358.84	6.26	-36.66
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCC(C2)O3)N1CC1CCOC1	REAL300020290752	1	49	-1.0	-42.91	358.91	6.28	-36.63
C(CC1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290753	0	53	-1.0	-45.97	402.21	4.31	-41.66
C(CC1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290753	1	53	-1.0	-45.96	402.27	4.33	-41.63
C(C1=N[N-]N=N1)C1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1CC1CCOC1	REAL300020290754	0	50	-1.0	-53.01	379.09	4.03	-48.98
C(C1=NN=N[N-]1)C1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1CC1CCOC1	REAL300020290754	1	50	-1.0	-52.99	379.02	4.05	-48.94
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@H]1COC	REAL300020290755	0	55	-1.0	-44.76	429.18	4.56	-40.20
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@H]1COC	REAL300020290755	1	55	-1.0	-44.79	429.23	4.59	-40.20
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290756	0	56	-1.0	-42.40	409.20	7.83	-34.57
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290756	1	56	-1.0	-42.39	409.26	7.85	-34.54
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290757	0	53	-1.0	-42.37	392.42	7.22	-35.15
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290757	1	53	-1.0	-42.36	392.48	7.25	-35.11
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC12CC2	REAL300020290758	0	52	-1.0	-43.58	385.78	4.56	-39.02
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC12CC2	REAL300020290758	1	52	-1.0	-43.58	385.83	4.57	-39.01
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC12CC2	REAL300020290759	0	49	-1.0	-52.40	379.56	5.14	-47.26
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC12CC2	REAL300020290759	1	49	-1.0	-52.42	379.60	5.15	-47.27
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290760	0	54	-1.0	-51.21	409.06	5.61	-45.60
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290760	1	54	-1.0	-51.21	409.12	5.60	-45.61
O=C1OCCC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290761	0	51	-1.0	-48.35	398.98	6.69	-41.66
O=C1OCCC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290761	1	51	-1.0	-48.33	399.04	6.70	-41.63
O=C1OCCC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290762	0	48	-1.0	-56.91	373.95	5.86	-51.05
O=C1OCCC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290762	1	48	-1.0	-56.92	374.01	5.87	-51.05
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290763	0	54	-1.0	-48.44	406.90	6.90	-41.54
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290763	1	54	-1.0	-48.39	406.96	6.93	-41.46
CC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCN21	REAL300020290764	0	51	-1.0	-45.88	395.86	6.48	-39.40
CC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCN21	REAL300020290764	1	51	-1.0	-45.88	395.92	6.50	-39.38
CC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCN21	REAL300020290765	0	48	-1.0	-51.24	371.04	5.86	-45.38
CC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCN21	REAL300020290765	1	48	-1.0	-51.21	371.03	5.88	-45.33
CCC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020290766	0	54	-1.0	-42.36	414.56	8.97	-33.39
CCC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020290766	1	54	-1.0	-42.34	414.62	8.99	-33.35
CC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCC1(C)C	REAL300020290767	0	53	-1.0	-44.27	381.18	6.08	-38.19
CC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCC1(C)C	REAL300020290767	1	53	-1.0	-44.27	381.24	6.09	-38.18
CC1N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCC1(C)C	REAL300020290768	0	50	-1.0	-44.37	376.67	6.34	-38.03
CC1N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCC1(C)C	REAL300020290768	1	50	-1.0	-44.34	376.73	6.37	-37.97
O=C1NCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1(F)F	REAL300020290769	0	48	-1.0	-45.41	373.50	2.78	-42.63
O=C1NCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1(F)F	REAL300020290769	1	48	-1.0	-45.39	373.56	2.79	-42.60
O=C1NCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(F)F	REAL300020290770	0	45	-1.0	-47.68	357.53	2.39	-45.29
O=C1NCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(F)F	REAL300020290770	1	45	-1.0	-47.91	368.33	2.58	-45.33
BrC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290771	0	42	-1.0	-49.18	331.76	5.24	-43.94
BrC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290771	1	42	-1.0	-49.16	331.82	5.24	-43.92
COCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290772	0	55	-1.0	-41.19	426.04	4.43	-36.76
COCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290772	1	55	-1.0	-41.17	426.10	4.45	-36.72
COCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290773	0	52	-1.0	-46.71	402.49	4.53	-42.18
COCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290773	1	52	-1.0	-46.71	402.55	4.54	-42.17
OC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020290774	0	52	-1.0	-44.65	408.72	5.29	-39.36
OC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020290774	1	52	-1.0	-44.66	408.78	5.30	-39.36
OC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020290775	0	49	-1.0	-42.38	382.68	4.69	-37.69
OC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020290775	1	49	-1.0	-42.40	382.75	4.71	-37.69
CC(C)CC1(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290776	0	59	-1.0	-43.83	434.37	8.69	-35.14
CC(C)CC1(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290776	1	59	-1.0	-43.74	434.46	8.71	-35.03
CC(C)CC1(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290777	0	56	-1.0	-42.63	421.77	7.59	-35.04
CC(C)CC1(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290777	1	56	-1.0	-42.60	421.83	7.62	-34.98
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290778	0	50	-1.0	-51.13	394.10	5.72	-45.41
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290778	1	50	-1.0	-51.16	394.02	5.72	-45.44
C=CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290779	0	50	-1.0	-39.55	391.66	7.08	-32.47
C=CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290779	1	50	-1.0	-39.59	391.72	7.09	-32.50
C=CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290780	0	47	-1.0	-41.04	376.10	6.51	-34.53
C=CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290780	1	47	-1.0	-41.06	376.15	6.53	-34.53
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020290781	0	54	-1.0	-42.91	432.86	9.74	-33.17
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020290781	1	54	-1.0	-42.85	432.98	9.75	-33.10
C(CC1=NN=C(N2CCCC3(CCCO3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290782	0	55	-1.0	-47.39	404.36	5.62	-41.77
C(CC1=NN=C(N2CCCC3(CCCO3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290782	1	55	-1.0	-47.41	404.42	5.64	-41.77
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCO3)C2)N1CC1CCOC1	REAL300020290783	0	52	-1.0	-53.68	373.02	5.09	-48.59
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCO3)C2)N1CC1CCOC1	REAL300020290783	1	52	-1.0	-53.71	373.08	5.10	-48.61
O=C1O[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C[C@@H]2O1	REAL300020290784	0	46	-1.0	-53.58	367.38	4.89	-48.69
O=C1O[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C[C@@H]2O1	REAL300020290784	1	46	-1.0	-53.59	367.44	4.90	-48.69
O=C1O[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@@H]2O1	REAL300020290785	0	43	-1.0	-52.09	343.82	4.95	-47.14
O=C1O[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@@H]2O1	REAL300020290785	1	43	-1.0	-52.11	343.88	4.96	-47.15
C(CC1=NN=C(N2CCCC3(COC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290786	0	52	-1.0	-48.52	380.94	4.14	-44.38
C(CC1=NN=C(N2CCCC3(COC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290786	1	52	-1.0	-48.52	381.00	4.15	-44.37
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(COC3)C2)N1CC1CCOC1	REAL300020290787	0	49	-1.0	-55.64	357.26	3.69	-51.95
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(COC3)C2)N1CC1CCOC1	REAL300020290787	1	49	-1.0	-55.62	357.30	3.70	-51.92
CN1C=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C2CC2)N=N1	REAL300020290788	0	53	-1.0	-50.73	406.10	5.80	-44.93
CN1C=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C2CC2)N=N1	REAL300020290788	1	53	-1.0	-50.75	406.16	5.82	-44.93
CN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C2CC2)N=N1	REAL300020290789	0	50	-1.0	-50.72	399.29	5.21	-45.51
CN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C2CC2)N=N1	REAL300020290789	1	50	-1.0	-50.73	399.36	5.23	-45.50
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C[C@H]1F	REAL300020290790	0	48	-1.0	-41.91	377.61	4.94	-36.97
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C[C@H]1F	REAL300020290790	1	48	-1.0	-41.89	377.67	4.95	-36.94
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@H]1F	REAL300020290791	0	45	-1.0	-46.32	355.74	4.40	-41.92
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@H]1F	REAL300020290791	1	45	-1.0	-46.29	355.79	4.42	-41.87
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290792	0	52	-1.0	-46.43	398.36	5.87	-40.56
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290792	1	52	-1.0	-46.43	398.41	5.89	-40.54
CC(C)(C)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290793	0	59	-1.0	-45.43	426.66	7.57	-37.86
CC(C)(C)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290793	1	59	-1.0	-45.41	426.71	7.59	-37.82
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290794	0	57	-1.0	-43.64	415.38	7.69	-35.95
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290794	1	57	-1.0	-43.65	415.42	7.70	-35.95
CCC1CC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290795	0	54	-1.0	-48.33	401.21	7.85	-40.48
CCC1CC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290795	1	54	-1.0	-48.28	401.27	7.87	-40.41
FC(F)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290796	0	50	-1.0	-40.49	397.67	7.20	-33.29
FC(F)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290796	1	50	-1.0	-40.56	397.72	7.22	-33.34
FC(F)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290797	0	47	-1.0	-50.16	370.31	6.92	-43.24
FC(F)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290797	1	47	-1.0	-50.19	370.37	6.94	-43.25
CN(CCCC1=CC=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290798	0	55	-1.0	-46.25	430.91	7.54	-38.71
CN(CCCC1=CC=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290798	1	55	-1.0	-46.28	430.96	7.55	-38.73
CN(CCCC1=CC=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290799	0	52	-1.0	-43.80	417.34	7.17	-36.63
CN(CCCC1=CC=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290799	1	52	-1.0	-43.83	417.40	7.20	-36.63
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@H]1C(F)(F)F	REAL300020290800	0	47	-1.0	-46.43	373.96	6.83	-39.60
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@H]1C(F)(F)F	REAL300020290800	1	47	-1.0	-46.48	374.01	6.84	-39.64
NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290801	0	51	-1.0	-50.76	401.39	3.30	-47.46
NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290801	1	51	-1.0	-50.80	401.45	3.31	-47.49
NC(=O)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290802	0	48	-1.0	-52.42	375.34	2.16	-50.26
NC(=O)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290802	1	48	-1.0	-52.38	375.41	2.18	-50.20
CN1C(=O)C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC[C@H]21	REAL300020290803	0	52	-1.0	-59.80	397.00	4.94	-54.86
CN1C(=O)C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC[C@H]21	REAL300020290803	1	52	-1.0	-59.74	397.08	4.94	-54.80
CCC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290804	0	54	-1.0	-42.12	414.61	8.98	-33.14
CCC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290804	1	54	-1.0	-42.13	414.67	9.01	-33.12
CC(CC(N)=O)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290805	0	50	-1.0	-49.78	378.73	3.08	-46.70
CC(CC(N)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290805	1	50	-1.0	-49.79	378.78	3.10	-46.69
CC(CC(N)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290806	0	47	-1.0	-49.41	362.17	2.52	-46.89
CC(CC(N)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290806	1	47	-1.0	-49.43	362.22	2.54	-46.89
CC1=CC(C)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020290807	0	54	-1.0	-42.61	409.78	8.61	-34.00
CC1=CC(C)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020290807	1	54	-1.0	-42.65	409.85	8.64	-34.01
CC1=CSC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020290808	0	50	-1.0	-39.86	408.59	7.82	-32.04
CC1=CSC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020290808	1	50	-1.0	-39.87	408.65	7.84	-32.03
CC1=CSC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020290809	0	47	-1.0	-49.84	383.88	6.83	-43.01
CC1=CSC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020290809	1	47	-1.0	-49.87	383.82	6.83	-43.04
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020290810	0	54	-1.0	-52.88	401.63	7.44	-45.44
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020290810	1	54	-1.0	-52.92	401.68	7.47	-45.45
C(CC1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290811	0	55	-1.0	-43.61	397.16	5.28	-38.33
C(CC1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290811	1	55	-1.0	-43.62	397.22	5.30	-38.32
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1CC1CCOC1	REAL300020290812	0	52	-1.0	-44.47	376.96	4.18	-40.29
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1CC1CCOC1	REAL300020290812	1	52	-1.0	-44.42	377.02	4.21	-40.21
CN(CC1COC(C)(C)OC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290813	0	55	-1.0	-49.99	412.86	5.11	-44.88
CN(CC1COC(C)(C)OC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290813	1	55	-1.0	-50.02	412.81	5.10	-44.92
C1=NN(CC2CCC2)C=C1NC1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290814	0	54	-1.0	-46.76	424.66	8.91	-37.85
C1=NN(CC2CCC2)C=C1NC1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290814	1	54	-1.0	-46.75	424.59	8.90	-37.85
C1=NN(CC2CCC2)C=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290815	0	51	-1.0	-53.46	403.86	8.58	-44.88
C1=NN(CC2CCC2)C=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290815	1	51	-1.0	-53.46	403.79	8.57	-44.89
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1C2CCCC21	REAL300020290816	0	51	-1.0	-43.87	387.70	7.34	-36.53
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1C2CCCC21	REAL300020290816	1	51	-1.0	-43.87	387.75	7.35	-36.52
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1C2CCCC21	REAL300020290817	0	48	-1.0	-52.13	361.28	6.62	-45.51
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1C2CCCC21	REAL300020290817	1	48	-1.0	-52.16	361.31	6.64	-45.52
C(CC1=NN=C(N2CC3CC2C3)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290818	0	45	-1.0	-42.51	353.97	5.99	-36.52
C(CC1=NN=C(N2CC3CC2C3)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290818	1	45	-1.0	-42.51	354.02	6.01	-36.50
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CC2C3)N1CC1CCOC1	REAL300020290819	0	42	-1.0	-48.66	325.57	5.55	-43.11
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CC2C3)N1CC1CCOC1	REAL300020290819	1	42	-1.0	-48.66	325.62	5.56	-43.10
C1=CC(C2=NN=C(N3CC4CC3C4)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020290820	0	49	-1.0	-42.94	381.77	8.36	-34.58
C1=CC(C2=NN=C(N3CC4CC3C4)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020290820	1	49	-1.0	-42.92	381.80	8.35	-34.57
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290821	0	54	-1.0	-41.82	412.39	6.13	-35.69
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290821	1	54	-1.0	-41.85	412.45	6.15	-35.70
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(C)C	REAL300020290822	0	51	-1.0	-47.16	388.41	5.59	-41.57
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(C)C	REAL300020290822	1	51	-1.0	-47.15	388.46	5.61	-41.54
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C[C@H]12	REAL300020290823	0	55	-1.0	-47.30	412.84	5.88	-41.42
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C[C@H]12	REAL300020290823	1	55	-1.0	-47.26	412.90	5.90	-41.36
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@H]12	REAL300020290824	0	52	-1.0	-50.71	391.80	6.03	-44.68
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@H]12	REAL300020290824	1	52	-1.0	-50.71	391.86	6.05	-44.66
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290825	0	52	-1.0	-44.73	402.36	5.33	-39.40
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290825	1	52	-1.0	-44.76	402.43	5.36	-39.40
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC[C@H]12	REAL300020290826	0	55	-1.0	-42.62	427.28	7.15	-35.47
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC[C@H]12	REAL300020290826	1	55	-1.0	-42.63	427.34	7.16	-35.47
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC[C@H]12	REAL300020290827	0	52	-1.0	-42.25	409.50	6.13	-36.12
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC[C@H]12	REAL300020290827	1	52	-1.0	-42.26	409.56	6.15	-36.11
FC1(F)CC1N1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020290828	0	45	-1.0	-49.59	384.08	8.22	-41.37
FC1(F)CC1N1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020290828	1	45	-1.0	-49.57	384.02	8.20	-41.37
CC(C)(C)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290829	0	57	-1.0	-50.86	410.35	6.09	-44.77
CC(C)(C)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290829	1	57	-1.0	-50.89	410.03	6.10	-44.79
CC12COC(=O)N1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290830	0	50	-1.0	-54.35	389.08	4.35	-50.00
CC12COC(=O)N1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290830	1	50	-1.0	-54.32	389.63	4.34	-49.98
CC1=C(CNC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)OC=C1	REAL300020290831	0	47	-1.0	-41.64	380.32	7.02	-34.62
CC1=C(CNC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)OC=C1	REAL300020290831	1	47	-1.0	-41.61	380.38	7.04	-34.57
CC1=C(CNC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)OC=C1	REAL300020290832	0	44	-1.0	-45.43	358.11	6.49	-38.94
CC1=C(CNC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)OC=C1	REAL300020290832	1	44	-1.0	-45.45	358.17	6.51	-38.94
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290833	0	54	-1.0	-43.31	407.87	8.59	-34.72
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290833	1	54	-1.0	-43.38	407.92	8.62	-34.76
C(CC1=NN=C(N2CCC3CC2CO3)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290834	0	49	-1.0	-42.30	370.51	5.33	-36.97
C(CC1=NN=C(N2CCC3CC2CO3)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290834	1	49	-1.0	-42.32	370.56	5.35	-36.97
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CC2CO3)N1CC1CCOC1	REAL300020290835	0	46	-1.0	-43.49	356.74	4.27	-39.22
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CC2CO3)N1CC1CCOC1	REAL300020290835	1	46	-1.0	-43.47	356.80	4.30	-39.17
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1F	REAL300020290836	0	47	-1.0	-41.39	370.27	6.50	-34.89
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1F	REAL300020290836	1	47	-1.0	-41.41	370.32	6.51	-34.90
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1F	REAL300020290837	0	44	-1.0	-48.95	343.24	5.85	-43.10
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1F	REAL300020290837	1	44	-1.0	-48.96	343.30	5.87	-43.09
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C[C@@H]1F	REAL300020290838	0	51	-1.0	-43.91	396.11	8.68	-35.23
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C[C@@H]1F	REAL300020290838	1	51	-1.0	-43.94	396.13	8.67	-35.27
N#CC1(C(N)=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290839	0	49	-1.0	-52.93	392.11	1.92	-51.01
N#CC1(C(N)=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290839	1	49	-1.0	-52.95	392.18	1.93	-51.02
N#CC1(C(N)=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290840	0	46	-1.0	-61.85	368.78	1.48	-60.37
N#CC1(C(N)=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290840	1	46	-1.0	-61.89	368.82	1.50	-60.39
C(C1=N[N-]N=N1)C1=NN=C(N2CC34CCCC3(COC4)C2)N1CC1CCOC1	REAL300020290841	0	53	-1.0	-43.41	396.06	4.81	-38.60
C(C1=NN=N[N-]1)C1=NN=C(N2CC34CCCC3(COC4)C2)N1CC1CCOC1	REAL300020290841	1	53	-1.0	-43.43	396.12	4.83	-38.60
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290842	0	49	-1.0	-41.36	388.37	6.92	-34.44
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290842	1	49	-1.0	-41.39	388.43	6.93	-34.46
C#C[C@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290843	0	46	-1.0	-43.87	360.27	6.73	-37.14
C#C[C@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290843	1	46	-1.0	-43.88	360.21	6.70	-37.18
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290844	0	50	-1.0	-42.68	393.52	7.59	-35.09
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290844	1	50	-1.0	-42.74	393.58	7.61	-35.13
FC1(F)CC1N1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=N1	REAL300020290845	0	45	-1.0	-48.58	373.09	7.08	-41.50
FC1(F)CC1N1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=N1	REAL300020290845	1	45	-1.0	-48.57	373.03	7.06	-41.51
CN(CCCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290846	0	52	-1.0	-48.82	420.99	3.29	-45.53
CN(CCCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290846	1	52	-1.0	-48.82	421.05	3.31	-45.51
CN(CCCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290847	0	49	-1.0	-56.25	399.57	2.20	-54.05
CN(CCCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290847	1	49	-1.0	-56.34	399.30	2.21	-54.13
CN(CCC(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290848	0	46	-1.0	-41.66	370.01	6.00	-35.66
CN(CCC(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290848	1	46	-1.0	-41.70	370.07	6.01	-35.69
CN(CCC(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290849	0	43	-1.0	-42.01	354.45	5.43	-36.58
CN(CCC(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290849	1	43	-1.0	-42.00	354.50	5.45	-36.55
CN(CC1CC(F)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290850	0	50	-1.0	-43.07	394.67	7.62	-35.45
CN(CC1CC(F)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290850	1	50	-1.0	-43.06	394.73	7.63	-35.43
CN(CC1CC(F)C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290851	0	47	-1.0	-41.55	371.02	6.80	-34.75
CN(CC1CC(F)C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290851	1	47	-1.0	-41.56	371.07	6.81	-34.75
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)[C@@H]2C1	REAL300020290852	0	48	-1.0	-62.91	377.68	2.80	-60.11
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)[C@@H]2C1	REAL300020290852	1	48	-1.0	-62.92	377.73	2.80	-60.12
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290853	0	49	-1.0	-41.94	391.98	5.84	-36.10
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290853	1	49	-1.0	-41.96	392.04	5.85	-36.11
C#CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290854	0	46	-1.0	-43.73	375.65	4.55	-39.18
C#CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290854	1	46	-1.0	-43.70	375.71	4.58	-39.12
COCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290855	0	54	-1.0	-41.15	418.56	6.12	-35.03
COCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290855	1	54	-1.0	-41.18	418.62	6.14	-35.04
COCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290856	0	51	-1.0	-47.68	391.04	5.76	-41.92
COCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290856	1	51	-1.0	-47.66	391.10	5.78	-41.88
CC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C2CC2)C=C1	REAL300020290857	0	54	-1.0	-51.20	421.38	9.11	-42.09
CC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C2CC2)C=C1	REAL300020290857	1	54	-1.0	-51.24	421.43	9.11	-42.13
CN1N=CC=C1CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CC1	REAL300020290858	0	54	-1.0	-45.80	417.49	6.17	-39.63
CN1N=CC=C1CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CC1	REAL300020290858	1	54	-1.0	-45.82	417.51	6.18	-39.64
CN1N=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CC1	REAL300020290859	0	51	-1.0	-45.41	402.25	5.02	-40.39
CN1N=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CC1	REAL300020290859	1	51	-1.0	-45.39	402.31	5.04	-40.35
C1=NOC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020290860	0	47	-1.0	-43.72	363.18	6.01	-37.71
C1=NOC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020290860	1	47	-1.0	-43.67	363.24	6.02	-37.65
C1=NOC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020290861	0	44	-1.0	-44.81	345.81	5.45	-39.36
C1=NOC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020290861	1	44	-1.0	-44.79	345.88	5.47	-39.32
CC1(C)[C@@H]2CC[C@@]1(C)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020290862	0	57	-1.0	-41.67	408.08	8.76	-32.91
CC1(C)[C@@H]2CC[C@@]1(C)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020290862	1	57	-1.0	-41.68	408.15	8.78	-32.90
CC1(C)CC2=C(C=CO2)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290863	0	54	-1.0	-49.76	408.93	7.51	-42.25
CC1(C)CC2=C(C=CO2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290863	1	54	-1.0	-49.79	408.96	7.52	-42.27
ClC1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCN2N=C1	REAL300020290864	0	45	-1.0	-44.69	369.03	5.25	-39.44
ClC1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCN2N=C1	REAL300020290864	1	45	-1.0	-44.68	369.09	5.26	-39.42
COC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290865	0	53	-1.0	-48.42	418.67	7.26	-41.16
COC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290865	1	53	-1.0	-48.44	418.73	7.27	-41.17
COC1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2C	REAL300020290866	0	52	-1.0	-47.01	413.61	8.90	-38.11
COC1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2C	REAL300020290866	1	52	-1.0	-46.99	413.57	8.88	-38.11
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCCCC3C2)N1CC1CCOC1	REAL300020290867	0	57	-1.0	-43.79	413.40	7.78	-36.01
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCCCC3C2)N1CC1CCOC1	REAL300020290867	1	57	-1.0	-43.77	413.46	7.81	-35.96
CN(CC1CC(F)(F)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290868	0	50	-1.0	-44.46	398.38	6.95	-37.51
CN(CC1CC(F)(F)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290868	1	50	-1.0	-44.42	398.44	6.97	-37.45
CN(CC1CC(F)(F)C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290869	0	47	-1.0	-50.85	373.66	6.33	-44.52
CN(CC1CC(F)(F)C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290869	1	47	-1.0	-50.84	373.59	6.33	-44.51
O=C1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2N1	REAL300020290870	0	52	-1.0	-43.87	395.77	4.39	-39.48
O=C1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2N1	REAL300020290870	1	52	-1.0	-43.91	395.83	4.41	-39.50
O=C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2N1	REAL300020290871	0	49	-1.0	-47.27	380.92	2.85	-44.42
O=C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2N1	REAL300020290871	1	49	-1.0	-47.19	380.98	2.87	-44.32
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCC1(F)F	REAL300020290872	0	48	-1.0	-50.22	390.02	6.38	-43.84
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCC1(F)F	REAL300020290872	1	48	-1.0	-50.23	390.07	6.39	-43.84
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCC1(F)F	REAL300020290873	0	45	-1.0	-48.15	373.27	5.44	-42.71
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCC1(F)F	REAL300020290873	1	45	-1.0	-48.11	373.33	5.46	-42.65
O=C1NCC[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@H]12	REAL300020290874	0	52	-1.0	-58.17	388.12	4.43	-53.74
O=C1NCC[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@H]12	REAL300020290874	1	52	-1.0	-58.21	388.19	4.45	-53.76
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1C	REAL300020290875	0	52	-1.0	-55.40	395.57	4.71	-50.69
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1C	REAL300020290875	1	52	-1.0	-55.43	395.76	4.71	-50.72
O=C1OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2O1	REAL300020290876	0	49	-1.0	-48.41	386.94	5.32	-43.09
O=C1OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2O1	REAL300020290876	1	49	-1.0	-48.35	387.00	5.34	-43.01
O=C1OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2O1	REAL300020290877	0	46	-1.0	-50.28	354.49	3.97	-46.31
O=C1OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2O1	REAL300020290877	1	46	-1.0	-50.25	354.54	4.00	-46.25
F[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1C1=CC=CC=C1	REAL300020290878	0	51	-1.0	-42.03	398.36	8.11	-33.92
F[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1C1=CC=CC=C1	REAL300020290878	1	51	-1.0	-42.01	398.43	8.14	-33.87
CCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290879	0	56	-1.0	-42.94	420.64	8.31	-34.63
CCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290879	1	56	-1.0	-42.97	420.69	8.33	-34.64
CCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290880	0	53	-1.0	-50.72	390.60	7.77	-42.95
CCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290880	1	53	-1.0	-50.73	390.66	7.78	-42.95
C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2=NO1	REAL300020290881	0	44	-1.0	-41.79	349.75	5.41	-36.38
C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2=NO1	REAL300020290881	1	44	-1.0	-41.81	349.81	5.43	-36.38
C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=NO1	REAL300020290882	0	41	-1.0	-44.05	333.88	4.51	-39.54
C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=NO1	REAL300020290882	1	41	-1.0	-44.01	333.82	4.50	-39.51
CC1CC(C(N)=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290883	0	54	-1.0	-47.56	412.33	3.61	-43.95
CC1CC(C(N)=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290883	1	54	-1.0	-47.60	412.39	3.62	-43.98
CC1CC(C(N)=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290884	0	51	-1.0	-44.32	390.44	2.83	-41.49
CC1CC(C(N)=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290884	1	51	-1.0	-44.38	390.51	2.84	-41.54
C(CC1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290885	0	51	-1.0	-40.94	391.13	7.80	-33.14
C(CC1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290885	1	51	-1.0	-40.94	391.18	7.81	-33.13
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1CC1CCOC1	REAL300020290886	0	48	-1.0	-41.72	361.13	7.24	-34.48
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1CC1CCOC1	REAL300020290886	1	48	-1.0	-41.71	361.20	7.26	-34.45
CC12CCC(CC1)N2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290887	0	51	-1.0	-43.34	378.82	6.39	-36.95
CC12CCC(CC1)N2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290887	1	51	-1.0	-43.36	378.87	6.41	-36.95
CC12CCC(CC1)N2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290888	0	48	-1.0	-45.07	357.30	5.61	-39.46
CC12CCC(CC1)N2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290888	1	48	-1.0	-45.11	357.39	5.63	-39.48
C1=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)=NC=N1	REAL300020290889	0	51	-1.0	-43.05	410.28	5.88	-37.17
C1=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)=NC=N1	REAL300020290889	1	51	-1.0	-42.97	410.23	5.85	-37.12
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1F	REAL300020290890	0	50	-1.0	-42.62	385.58	6.88	-35.74
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1F	REAL300020290890	1	50	-1.0	-42.57	385.64	6.89	-35.68
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1F	REAL300020290891	0	47	-1.0	-42.31	369.06	6.25	-36.06
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1F	REAL300020290891	1	47	-1.0	-42.32	369.12	6.28	-36.04
O=C1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)N1	REAL300020290892	0	52	-1.0	-53.05	398.00	4.05	-49.00
O=C1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)N1	REAL300020290892	1	52	-1.0	-53.02	398.06	4.08	-48.94
FC(F)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290893	0	53	-1.0	-46.19	411.43	7.79	-38.40
FC(F)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290893	1	53	-1.0	-46.22	411.49	7.81	-38.41
FC(F)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290894	0	50	-1.0	-51.93	379.64	7.23	-44.70
FC(F)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290894	1	50	-1.0	-51.97	379.70	7.23	-44.74
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1O	REAL300020290895	0	51	-1.0	-40.68	392.66	4.28	-36.40
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1O	REAL300020290895	1	51	-1.0	-40.67	392.72	4.29	-36.38
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1O	REAL300020290896	0	48	-1.0	-41.70	366.34	3.32	-38.38
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1O	REAL300020290896	1	48	-1.0	-41.72	366.40	3.33	-38.39
OC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2(CCCC2)C1	REAL300020290897	0	55	-1.0	-50.66	391.34	3.97	-46.69
OC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2(CCCC2)C1	REAL300020290897	1	55	-1.0	-50.68	391.26	4.00	-46.68
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C(C)C1CCC1	REAL300020290898	0	56	-1.0	-40.99	408.77	8.61	-32.38
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C(C)C1CCC1	REAL300020290898	1	56	-1.0	-41.00	408.83	8.63	-32.37
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C(C)C1CCC1	REAL300020290899	0	53	-1.0	-51.04	384.39	7.19	-43.85
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C(C)C1CCC1	REAL300020290899	1	53	-1.0	-51.02	384.42	7.20	-43.82
ClC1=C(Cl)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290900	0	45	-1.0	-41.68	378.74	6.83	-34.85
ClC1=C(Cl)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290900	1	45	-1.0	-41.66	378.80	6.85	-34.81
ClC1=C(Cl)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290901	0	42	-1.0	-46.74	355.45	6.17	-40.57
ClC1=C(Cl)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290901	1	42	-1.0	-46.75	355.58	6.16	-40.59
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290902	0	50	-1.0	-48.98	391.55	7.15	-41.83
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290902	1	50	-1.0	-49.02	391.55	7.15	-41.87
C(CC1=NN=C(N2CCCC23CC3)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290903	0	48	-1.0	-45.66	359.08	5.34	-40.32
C(CC1=NN=C(N2CCCC23CC3)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290903	1	48	-1.0	-45.68	359.13	5.35	-40.33
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC23CC3)N1CC1CCOC1	REAL300020290904	0	45	-1.0	-53.50	326.32	4.89	-48.61
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC23CC3)N1CC1CCOC1	REAL300020290904	1	45	-1.0	-53.70	327.07	4.85	-48.85
C1=CC(C2=NN=C(N3CCCC34CC4)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020290905	0	52	-1.0	-46.77	379.79	6.78	-39.99
C1=CC(C2=NN=C(N3CCCC34CC4)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020290905	1	52	-1.0	-46.78	379.87	6.77	-40.01
C(CC1=NN=C(N2CCC3(CCSC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290906	0	52	-1.0	-44.96	400.95	7.61	-37.35
C(CC1=NN=C(N2CCC3(CCSC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290906	1	52	-1.0	-44.98	401.01	7.63	-37.35
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCSC3)C2)N1CC1CCOC1	REAL300020290907	0	49	-1.0	-50.39	378.35	7.16	-43.23
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCSC3)C2)N1CC1CCOC1	REAL300020290907	1	49	-1.0	-50.43	378.41	7.18	-43.25
O=C1CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C2)N1	REAL300020290908	0	52	-1.0	-50.42	400.94	3.54	-46.88
O=C1CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C2)N1	REAL300020290908	1	52	-1.0	-50.38	401.00	3.55	-46.83
O=C1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)N1	REAL300020290909	0	49	-1.0	-51.65	382.86	3.43	-48.22
O=C1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)N1	REAL300020290909	1	49	-1.0	-51.64	382.93	3.45	-48.19
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C[C@H](C)C1(F)F	REAL300020290910	0	53	-1.0	-43.16	410.38	7.48	-35.68
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C[C@H](C)C1(F)F	REAL300020290910	1	53	-1.0	-43.13	410.44	7.49	-35.64
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@H](C)C1(F)F	REAL300020290911	0	50	-1.0	-49.61	386.00	6.38	-43.23
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@H](C)C1(F)F	REAL300020290911	1	50	-1.0	-49.69	386.06	6.40	-43.29
C(CC1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290912	0	47	-1.0	-48.44	361.22	2.87	-45.57
C(CC1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290912	1	47	-1.0	-48.44	361.30	2.89	-45.55
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1CC1CCOC1	REAL300020290913	0	44	-1.0	-47.54	342.06	3.09	-44.45
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1CC1CCOC1	REAL300020290913	1	44	-1.0	-47.56	342.12	3.10	-44.46
CN(CC1=NN=NN1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290914	0	48	-1.0	-44.80	381.71	3.83	-40.97
CN(CC1=NN=NN1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290914	1	48	-1.0	-44.85	381.77	3.84	-41.01
CN(CC1=NN=NN1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290915	0	45	-1.0	-43.49	368.41	3.65	-39.84
CN(CC1=NN=NN1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290915	1	45	-1.0	-43.50	368.46	3.68	-39.82
CN(CCOC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290916	0	51	-1.0	-43.31	397.06	6.00	-37.31
CN(CCOC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290916	1	51	-1.0	-43.32	397.12	6.02	-37.30
CN(CCOC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290917	0	48	-1.0	-49.07	376.75	5.22	-43.85
CN(CCOC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290917	1	48	-1.0	-49.06	376.79	5.23	-43.83
CC(C)(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290918	0	57	-1.0	-41.59	430.90	7.17	-34.42
CC(C)(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290918	1	57	-1.0	-41.59	430.95	7.20	-34.39
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@H]1O	REAL300020290919	0	51	-1.0	-53.25	392.60	1.71	-51.54
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@H]1O	REAL300020290919	1	51	-1.0	-53.30	392.66	1.73	-51.57
COC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020290920	0	51	-1.0	-41.93	401.14	7.06	-34.87
COC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020290920	1	51	-1.0	-41.92	401.20	7.07	-34.85
COC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020290921	0	48	-1.0	-47.11	382.84	6.54	-40.57
COC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020290921	1	48	-1.0	-47.13	382.78	6.50	-40.63
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290922	0	46	-1.0	-42.53	389.91	6.69	-35.84
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290922	1	46	-1.0	-42.48	389.96	6.71	-35.77
CC(C)(C)OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290923	0	57	-1.0	-47.52	422.57	7.34	-40.18
CC(C)(C)OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290923	1	57	-1.0	-47.58	422.63	7.36	-40.22
CC1(C)C2CCC13CCN(C1=NN=C(CC4=N[N-]N=N4)N1CC1CCOC1)C3C2	REAL300020290924	0	58	-1.0	-53.30	409.64	9.70	-43.60
CC1(C)C2CCC13CCN(C1=NN=C(CC4=NN=N[N-]4)N1CC1CCOC1)C3C2	REAL300020290924	1	58	-1.0	-53.35	409.69	9.71	-43.64
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290925	0	48	-1.0	-49.79	371.33	5.63	-44.16
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290925	1	48	-1.0	-49.85	371.38	5.65	-44.20
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290926	0	45	-1.0	-49.66	358.53	6.32	-43.34
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290926	1	45	-1.0	-49.73	358.59	6.34	-43.39
FC1(F)CC1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290927	0	51	-1.0	-54.41	397.90	7.89	-46.52
FC1(F)CC1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290927	1	51	-1.0	-54.40	397.71	7.90	-46.50
CCCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290928	0	55	-1.0	-40.25	412.81	8.47	-31.78
CCCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290928	1	55	-1.0	-40.26	412.87	8.48	-31.78
CCCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290929	0	52	-1.0	-40.90	398.69	7.82	-33.08
CCCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290929	1	52	-1.0	-40.91	398.76	7.85	-33.06
F[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@@H]1C1=CC=CC=C1	REAL300020290930	0	51	-1.0	-42.03	398.36	8.11	-33.92
F[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@@H]1C1=CC=CC=C1	REAL300020290930	1	51	-1.0	-42.01	398.43	8.14	-33.87
O=C1NCCC1N1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020290931	0	49	-1.0	-52.68	402.61	4.83	-47.85
O=C1NCCC1N1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020290931	1	49	-1.0	-52.75	402.55	4.81	-47.94
C#CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290932	0	53	-1.0	-48.27	420.73	6.47	-41.80
C#CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290932	1	53	-1.0	-48.30	420.80	6.49	-41.81
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290933	0	50	-1.0	-47.26	402.66	5.62	-41.64
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290933	1	50	-1.0	-47.25	402.71	5.64	-41.61
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCSCC1	REAL300020290934	0	51	-1.0	-43.88	395.57	6.63	-37.25
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCSCC1	REAL300020290934	1	51	-1.0	-43.91	395.63	6.65	-37.26
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCSCC1	REAL300020290935	0	48	-1.0	-46.56	372.37	6.52	-40.04
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCSCC1	REAL300020290935	1	48	-1.0	-46.55	372.44	6.53	-40.02
O=C1NCCC1N1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=N1	REAL300020290936	0	49	-1.0	-55.41	394.62	3.81	-51.60
O=C1NCCC1N1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=N1	REAL300020290936	1	49	-1.0	-55.36	394.54	3.80	-51.56
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290937	0	56	-1.0	-41.52	434.26	10.17	-31.35
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290937	1	56	-1.0	-41.56	434.32	10.20	-31.36
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290938	0	47	-1.0	-46.64	378.53	6.85	-39.79
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290938	1	47	-1.0	-46.60	378.60	6.88	-39.72
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCC(C(F)F)CC1	REAL300020290939	0	53	-1.0	-42.53	394.80	8.57	-33.96
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCC(C(F)F)CC1	REAL300020290939	1	53	-1.0	-42.55	394.86	8.60	-33.95
COC(=O)C1(CF)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290940	0	50	-1.0	-55.27	391.76	6.02	-49.25
COC(=O)C1(CF)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290940	1	50	-1.0	-55.28	391.80	6.02	-49.26
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1=O	REAL300020290941	0	50	-1.0	-46.58	400.27	5.51	-41.07
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1=O	REAL300020290941	1	50	-1.0	-46.62	400.32	5.52	-41.10
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1=O	REAL300020290942	0	47	-1.0	-51.01	376.92	4.90	-46.11
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1=O	REAL300020290942	1	47	-1.0	-51.06	376.96	4.91	-46.15
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290943	0	48	-1.0	-45.75	368.84	4.24	-41.51
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290943	1	48	-1.0	-45.75	368.90	4.25	-41.50
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290944	0	45	-1.0	-41.58	356.11	4.09	-37.49
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290944	1	45	-1.0	-41.66	356.19	4.11	-37.55
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020290945	0	52	-1.0	-44.71	404.54	6.95	-37.76
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020290945	1	52	-1.0	-44.69	404.56	6.95	-37.74
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290946	0	51	-1.0	-44.89	397.22	7.91	-36.98
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290946	1	51	-1.0	-44.87	397.28	7.92	-36.95
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2=C1	REAL300020290947	0	48	-1.0	-45.87	377.46	7.03	-38.84
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2=C1	REAL300020290947	1	48	-1.0	-45.86	377.40	7.00	-38.86
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290948	0	51	-1.0	-50.41	386.10	4.97	-45.44
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290948	1	51	-1.0	-50.41	386.16	4.99	-45.42
CC1CN2N=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290949	0	48	-1.0	-47.91	364.32	4.93	-42.98
CC1CN2N=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290949	1	48	-1.0	-47.95	364.25	4.92	-43.03
FC(F)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290950	0	53	-1.0	-49.27	394.46	6.64	-42.63
FC(F)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290950	1	53	-1.0	-49.25	394.53	6.65	-42.60
FC(F)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290951	0	50	-1.0	-45.29	388.50	7.59	-37.70
FC(F)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290951	1	50	-1.0	-45.30	388.55	7.61	-37.69
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290952	0	54	-1.0	-40.57	416.16	6.11	-34.46
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290952	1	54	-1.0	-40.62	416.22	6.13	-34.49
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020290953	0	51	-1.0	-49.96	381.94	5.58	-44.38
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020290953	1	51	-1.0	-49.99	381.93	5.57	-44.42
C(CC1=NN=C(N2CCCC3(CCC3)CC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020290954	0	57	-1.0	-45.52	402.59	8.00	-37.52
C(CC1=NN=C(N2CCCC3(CCC3)CC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020290954	1	57	-1.0	-45.49	402.65	8.01	-37.48
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCC3)CC2)N1CC1CCOC1	REAL300020290955	0	54	-1.0	-51.70	374.84	7.46	-44.24
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCC3)CC2)N1CC1CCOC1	REAL300020290955	1	54	-1.0	-51.70	374.87	7.48	-44.22
COC1=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=CC=C1C	REAL300020290956	0	51	-1.0	-43.70	409.82	8.38	-35.32
COC1=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=CC=C1C	REAL300020290956	1	51	-1.0	-43.70	409.76	8.36	-35.34
COC1=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=CC=C1C	REAL300020290957	0	48	-1.0	-43.32	385.01	7.52	-35.80
COC1=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=CC=C1C	REAL300020290957	1	48	-1.0	-43.25	384.95	7.50	-35.75
O=C1C=CC2=C(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C2)N1	REAL300020290958	0	51	-1.0	-47.19	398.10	4.97	-42.22
O=C1C=CC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C2)N1	REAL300020290958	1	51	-1.0	-47.20	398.16	4.98	-42.22
O=C1C=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)N1	REAL300020290959	0	48	-1.0	-47.49	376.52	4.31	-43.18
O=C1C=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)N1	REAL300020290959	1	48	-1.0	-47.46	376.59	4.33	-43.13
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(F)F	REAL300020290960	0	48	-1.0	-48.38	389.59	7.05	-41.33
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(F)F	REAL300020290960	1	48	-1.0	-48.40	389.66	7.07	-41.33
O=C1CCCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2N1	REAL300020290961	0	52	-1.0	-46.40	391.74	3.37	-43.03
O=C1CCCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2N1	REAL300020290961	1	52	-1.0	-46.46	391.80	3.40	-43.06
CCC=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290962	0	51	-1.0	-41.46	398.67	7.81	-33.65
CCC=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290962	1	51	-1.0	-41.48	398.73	7.82	-33.66
CCC=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290963	0	48	-1.0	-52.15	368.38	6.80	-45.35
CCC=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290963	1	48	-1.0	-52.18	368.43	6.80	-45.38
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290964	0	49	-1.0	-56.97	391.26	0.53	-56.44
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290964	1	49	-1.0	-57.01	391.31	0.53	-56.48
OCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290965	0	54	-1.0	-45.04	410.56	4.20	-40.84
OCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290965	1	54	-1.0	-45.00	410.62	4.22	-40.78
OCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290966	0	51	-1.0	-53.03	380.52	3.65	-49.38
OCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290966	1	51	-1.0	-53.02	380.58	3.66	-49.36
FC(F)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290967	0	50	-1.0	-46.70	389.74	6.77	-39.93
FC(F)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290967	1	50	-1.0	-46.72	389.80	6.78	-39.94
FC(F)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290968	0	47	-1.0	-49.27	368.94	6.78	-42.49
FC(F)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290968	1	47	-1.0	-49.30	369.00	6.80	-42.50
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290969	0	57	0.0	-72.90	423.84	8.06	-64.84
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290969	1	57	0.0	-67.57	426.79	8.29	-59.28
C=CCN1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290969	1	56	-1.0	-43.91	417.87	5.55	-38.36
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290970	0	54	0.0	-65.08	406.35	7.84	-57.24
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020290970	1	54	0.0	-68.80	405.01	6.88	-61.92
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290970	1	54	0.0	-65.09	406.44	7.87	-57.22
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020290970	1	54	0.0	-68.75	405.06	6.90	-61.85
C#CCN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=N1	REAL300020290971	0	46	-1.0	-48.04	381.16	7.36	-40.68
C#CCN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=N1	REAL300020290971	1	46	-1.0	-48.05	381.10	7.34	-40.71
C#CCN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=N1	REAL300020290972	0	43	-1.0	-50.56	365.35	6.72	-43.84
C#CCN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=N1	REAL300020290972	1	43	-1.0	-50.56	365.29	6.69	-43.87
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=N[N-]N=N4)N2CC2CCOC2)C3)C1	REAL300020290973	0	58	0.0	-64.95	417.03	7.08	-57.87
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=NN=N[N-]4)N2CC2CCOC2)C3)C1	REAL300020290973	1	58	0.0	-64.93	417.08	7.11	-57.82
CC1CC2(CCCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290974	0	57	-1.0	-44.69	401.43	7.04	-37.65
CC1CC2(CCCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290974	1	57	-1.0	-44.69	401.49	7.06	-37.63
CC1CC2(CCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290975	0	54	-1.0	-52.22	371.82	6.47	-45.75
CC1CC2(CCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290975	1	54	-1.0	-52.20	371.75	6.48	-45.72
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CCOC1	REAL300020290976	0	51	-1.0	-42.43	382.93	4.37	-38.06
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CCOC1	REAL300020290976	1	51	-1.0	-42.46	382.98	4.39	-38.07
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CCOC1	REAL300020290977	0	48	-1.0	-44.90	355.74	3.78	-41.12
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CCOC1	REAL300020290977	1	48	-1.0	-44.92	355.80	3.77	-41.15
CC12CCCC1N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)CCC2	REAL300020290978	0	57	-1.0	-45.34	411.73	8.15	-37.19
CC12CCCC1N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)CCC2	REAL300020290978	1	57	-1.0	-45.34	411.79	8.16	-37.18
CC12CCCC1N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CCC2	REAL300020290979	0	54	-1.0	-45.15	391.67	7.53	-37.62
CC12CCCC1N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CCC2	REAL300020290979	1	54	-1.0	-45.17	391.72	7.55	-37.62
N#CC1(CO)CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020290980	0	53	-1.0	-50.78	418.47	4.21	-46.57
N#CC1(CO)CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020290980	1	53	-1.0	-50.78	418.53	4.24	-46.54
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020290981	0	54	-1.0	-45.11	411.66	8.43	-36.68
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020290981	1	54	-1.0	-45.17	411.72	8.46	-36.71
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290982	0	47	-1.0	-54.25	388.73	5.11	-49.14
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290982	1	47	-1.0	-54.27	388.67	5.12	-49.15
CCN(CCOCCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290983	0	57	-1.0	-43.10	444.61	4.27	-38.83
CCN(CCOCCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290983	1	57	-1.0	-43.07	444.67	4.28	-38.79
CCN(CCOCCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290984	0	54	-1.0	-44.53	428.39	4.24	-40.29
CCN(CCOCCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290984	1	54	-1.0	-44.51	428.45	4.26	-40.25
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290985	0	59	-1.0	-40.79	445.19	6.13	-34.66
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290985	1	59	-1.0	-40.79	445.25	6.15	-34.64
CCN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290986	0	56	-1.0	-42.49	428.78	6.10	-36.39
CCN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290986	1	56	-1.0	-42.49	428.84	6.12	-36.37
C=CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290987	0	51	-1.0	-39.19	398.74	7.52	-31.67
C=CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290987	1	51	-1.0	-39.21	398.80	7.53	-31.68
C=CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020290988	0	48	-1.0	-45.67	359.64	5.65	-40.02
C=CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020290988	1	48	-1.0	-45.68	359.70	5.68	-40.00
CC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC(C)O1	REAL300020290989	0	57	-1.0	-43.62	414.47	6.12	-37.50
CC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC(C)O1	REAL300020290989	1	57	-1.0	-43.63	414.53	6.14	-37.49
CC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(C)O1	REAL300020290990	0	54	-1.0	-50.73	390.54	5.54	-45.19
CC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(C)O1	REAL300020290990	1	54	-1.0	-50.82	390.52	5.54	-45.28
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC2(CC2)N1	REAL300020290991	0	49	-1.0	-44.11	381.93	3.81	-40.30
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC2(CC2)N1	REAL300020290991	1	49	-1.0	-44.14	381.99	3.82	-40.32
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2(CC2)N1	REAL300020290992	0	46	-1.0	-48.15	362.25	3.02	-45.13
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2(CC2)N1	REAL300020290992	1	46	-1.0	-48.15	362.32	3.04	-45.11
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCN1C1CC1	REAL300020290993	0	56	-1.0	-39.94	417.60	6.13	-33.81
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC[N@@H+]1C1CC1	REAL300020290993	1	57	0.0	-69.19	423.68	7.65	-61.54
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC[N@H+]1C1CC1	REAL300020290993	1	57	0.0	-73.62	409.69	7.02	-66.60
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCN1C1CC1	REAL300020290993	1	56	-1.0	-39.96	417.67	6.14	-33.82
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC[N@@H+]1C1CC1	REAL300020290994	0	54	0.0	-64.90	408.85	7.89	-57.01
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC[N@H+]1C1CC1	REAL300020290994	1	54	0.0	-69.29	387.09	6.06	-63.23
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC[N@@H+]1C1CC1	REAL300020290994	1	54	0.0	-64.94	408.90	7.91	-57.03
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC[N@H+]1C1CC1	REAL300020290994	1	54	0.0	-69.29	387.14	6.08	-63.21
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCN1C1CC1	REAL300020290994	1	53	-1.0	-49.79	400.26	4.92	-44.87
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCN1C1CC1	REAL300020290994	1	53	-1.0	-49.73	400.21	4.91	-44.82
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020290995	0	47	-1.0	-46.00	366.63	5.44	-40.56
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020290995	1	47	-1.0	-46.05	366.69	5.47	-40.58
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCC1(F)F	REAL300020290996	0	53	-1.0	-43.04	388.60	6.36	-36.68
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCC1(F)F	REAL300020290996	1	53	-1.0	-43.08	388.66	6.38	-36.70
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCC1(F)F	REAL300020290997	0	50	-1.0	-48.93	363.09	6.01	-42.92
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCC1(F)F	REAL300020290997	1	50	-1.0	-48.93	363.13	6.01	-42.92
CC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCC1(F)F	REAL300020290998	0	47	-1.0	-42.64	375.54	6.05	-36.59
CC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCC1(F)F	REAL300020290998	1	47	-1.0	-42.62	375.60	6.06	-36.56
CC1N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCC1(F)F	REAL300020290999	0	44	-1.0	-42.60	350.49	5.23	-37.37
CC1N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCC1(F)F	REAL300020290999	1	44	-1.0	-42.64	350.56	5.25	-37.39
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291000	0	54	-1.0	-42.28	433.08	9.81	-32.47
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291000	1	54	-1.0	-42.28	433.14	9.84	-32.44
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCCCCC2)N1CC1CCOC1	REAL300020291001	0	59	-1.0	-40.30	424.89	9.29	-31.01
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCCCCC2)N1CC1CCOC1	REAL300020291001	1	59	-1.0	-40.30	424.95	9.31	-30.99
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291002	0	54	-1.0	-44.85	399.46	7.59	-37.26
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291002	1	54	-1.0	-44.90	399.52	7.60	-37.30
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCOC1	REAL300020291003	0	51	-1.0	-45.88	383.63	7.78	-38.10
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCOC1	REAL300020291003	1	51	-1.0	-45.91	383.70	7.80	-38.11
CCC1COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291004	0	54	-1.0	-43.72	400.08	6.23	-37.49
CCC1COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291004	1	54	-1.0	-43.69	400.14	6.25	-37.44
CCC1COCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291005	0	51	-1.0	-49.85	366.89	4.81	-45.04
CCC1COCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291005	1	51	-1.0	-49.83	366.96	4.81	-45.02
CC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020291006	0	51	-1.0	-43.92	392.98	5.21	-38.71
CC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020291006	1	51	-1.0	-43.88	393.03	5.22	-38.66
CC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020291007	0	48	-1.0	-51.71	366.14	4.87	-46.84
CC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020291007	1	48	-1.0	-51.71	366.20	4.89	-46.82
C1=CCC2(CCCC2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291008	0	58	-1.0	-43.23	426.23	8.99	-34.24
C1=CCC2(CCCC2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291008	1	58	-1.0	-43.25	426.28	9.01	-34.24
C1=CCC2(CCCC2)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291009	0	55	-1.0	-46.04	399.35	9.11	-36.93
C1=CCC2(CCCC2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291009	1	55	-1.0	-46.05	399.40	9.12	-36.93
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291010	0	50	-1.0	-42.41	408.06	8.23	-34.18
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291010	1	50	-1.0	-42.39	408.12	8.26	-34.13
C[C@@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291011	0	48	-1.0	-43.35	364.39	4.62	-38.73
C[C@@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291011	1	48	-1.0	-43.30	364.44	4.64	-38.66
C[C@@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291012	0	45	-1.0	-43.05	347.02	4.02	-39.03
C[C@@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291012	1	45	-1.0	-43.07	347.07	4.05	-39.02
C=CCCC1(C#N)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291013	0	55	-1.0	-52.04	429.63	8.63	-43.41
C=CCCC1(C#N)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291013	1	55	-1.0	-52.06	429.68	8.64	-43.42
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291014	0	54	-1.0	-51.21	418.56	8.21	-43.00
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291014	1	54	-1.0	-51.22	418.51	8.20	-43.02
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC3(CCCC3)C2)N1CC1CCOC1	REAL300020291015	0	57	-1.0	-46.53	397.85	9.24	-37.29
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC3(CCCC3)C2)N1CC1CCOC1	REAL300020291015	1	57	-1.0	-46.52	397.90	9.26	-37.26
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291016	0	51	-1.0	-50.16	402.59	7.57	-42.59
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291016	1	51	-1.0	-50.21	402.58	7.56	-42.65
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FC(F)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291017	1	52	-1.0	-46.59	406.21	4.83	-41.76
FC(F)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291018	0	49	-1.0	-47.52	384.07	4.08	-43.44
FC(F)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291018	1	49	-1.0	-47.50	384.12	4.11	-43.39
C(CC1=NN=C(N2CC3CCCCCC3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291019	0	57	-1.0	-39.76	416.87	8.61	-31.15
C(CC1=NN=C(N2CC3CCCCCC3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291019	1	57	-1.0	-39.77	416.93	8.63	-31.14
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCCCC3C2)N1CC1CCOC1	REAL300020291020	0	54	-1.0	-42.67	395.42	7.81	-34.86
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCCCC3C2)N1CC1CCOC1	REAL300020291020	1	54	-1.0	-42.68	395.48	7.83	-34.85
CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291021	0	49	-1.0	-63.32	390.61	0.89	-62.43
CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291021	1	49	-1.0	-63.33	390.67	0.90	-62.43
C1=C2COCCN2N=C1NC1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291022	0	49	-1.0	-44.26	387.63	6.18	-38.08
C1=C2COCCN2N=C1NC1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291022	1	49	-1.0	-44.24	387.69	6.20	-38.04
C1=C2COCCN2N=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291023	0	46	-1.0	-47.15	373.64	5.68	-41.47
C1=C2COCCN2N=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291023	1	46	-1.0	-47.18	373.70	5.71	-41.47
OC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CCO2	REAL300020291024	0	50	-1.0	-53.28	389.63	3.49	-49.79
OC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CCO2	REAL300020291024	1	50	-1.0	-53.36	389.78	3.49	-49.87
CC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291025	0	54	-1.0	-45.58	401.45	3.73	-41.85
CC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291025	1	54	-1.0	-45.56	401.51	3.74	-41.82
CC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291026	0	51	-1.0	-53.56	378.06	3.34	-50.22
CC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291026	1	51	-1.0	-53.57	378.32	3.38	-50.19
N#CC12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC1CCCCC2	REAL300020291027	0	55	-1.0	-40.73	415.72	7.61	-33.12
N#CC12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC1CCCCC2	REAL300020291027	1	55	-1.0	-40.69	415.81	7.62	-33.07
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291028	0	54	-1.0	-56.10	400.27	2.28	-53.82
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291028	1	54	-1.0	-56.07	400.33	2.30	-53.77
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291029	0	51	-1.0	-49.39	383.21	2.80	-46.59
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291029	1	51	-1.0	-49.39	383.26	2.83	-46.56
CN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291030	0	51	-1.0	-41.28	393.23	5.50	-35.78
CN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291030	1	51	-1.0	-41.28	393.29	5.52	-35.76
CN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291031	0	48	-1.0	-47.30	373.23	5.39	-41.91
CN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291031	1	48	-1.0	-47.25	373.29	5.40	-41.85
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291032	0	49	-1.0	-42.61	392.90	7.16	-35.45
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291032	1	49	-1.0	-42.58	392.96	7.18	-35.40
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291033	0	46	-1.0	-47.58	356.89	6.69	-40.89
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291033	1	46	-1.0	-47.53	356.82	6.68	-40.85
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291034	0	54	-1.0	-49.33	405.78	4.23	-45.10
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291034	1	54	-1.0	-49.30	405.84	4.26	-45.04
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291035	0	51	-1.0	-49.51	406.16	7.70	-41.81
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291035	1	51	-1.0	-49.46	406.18	7.73	-41.73
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC(CCO)O1	REAL300020291036	0	55	-1.0	-50.13	400.53	2.12	-48.01
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC(CCO)O1	REAL300020291036	1	55	-1.0	-50.16	400.58	2.13	-48.03
FC1(F)CC12CCCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020291037	0	51	-1.0	-49.00	384.01	8.06	-40.94
FC1(F)CC12CCCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020291037	1	51	-1.0	-49.06	384.07	8.09	-40.97
CC(C)(CO)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291038	0	57	-1.0	-52.58	408.11	4.54	-48.04
CC(C)(CO)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291038	1	57	-1.0	-52.56	408.18	4.54	-48.02
OC1(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCO2)CC1	REAL300020291039	0	53	-1.0	-44.18	417.57	3.43	-40.75
OC1(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCO2)CC1	REAL300020291039	1	53	-1.0	-44.15	417.62	3.45	-40.70
OC1(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCO2)CC1	REAL300020291040	0	50	-1.0	-46.44	393.65	2.00	-44.44
OC1(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCO2)CC1	REAL300020291040	1	50	-1.0	-46.43	393.71	2.03	-44.40
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291041	0	48	-1.0	-46.07	379.23	6.90	-39.17
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291041	1	48	-1.0	-46.03	379.28	6.91	-39.12
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291042	0	45	-1.0	-42.30	365.43	6.00	-36.30
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291042	1	45	-1.0	-42.29	365.49	6.02	-36.27
COC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291043	0	52	-1.0	-40.48	396.53	6.48	-34.00
COC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291043	1	52	-1.0	-40.55	396.58	6.49	-34.06
COC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291044	0	49	-1.0	-41.52	379.86	5.76	-35.76
COC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291044	1	49	-1.0	-41.51	379.92	5.79	-35.72
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCCCCC3C2)N1CC1CCOC1	REAL300020291045	0	57	-1.0	-50.76	398.79	7.83	-42.93
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCCCCC3C2)N1CC1CCOC1	REAL300020291045	1	57	-1.0	-50.80	398.84	7.83	-42.97
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)CCSCC3)N1CC1CCOC1	REAL300020291046	0	52	-1.0	-44.13	393.84	6.84	-37.29
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)CCSCC3)N1CC1CCOC1	REAL300020291046	1	52	-1.0	-44.16	393.90	6.86	-37.30
CCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291047	0	59	-1.0	-43.98	442.68	8.74	-35.24
CCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291047	1	59	-1.0	-43.97	442.75	8.77	-35.20
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291048	0	56	-1.0	-45.34	420.95	8.91	-36.43
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291048	1	56	-1.0	-45.38	421.01	8.94	-36.44
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(C2)OC[C@H]2C[C@H]23)N1CC1CCOC1	REAL300020291049	0	53	-1.0	-50.64	399.70	6.16	-44.48
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(C2)OC[C@H]2C[C@H]23)N1CC1CCOC1	REAL300020291049	1	53	-1.0	-50.71	399.65	6.17	-44.54
C(CC1=NN=C(N2CCC(OCC3CC3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291050	0	55	-1.0	-42.45	429.60	6.95	-35.50
C(CC1=NN=C(N2CCC(OCC3CC3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291050	1	55	-1.0	-42.43	429.65	6.96	-35.47
C(OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1)C1CC1	REAL300020291051	0	52	-1.0	-52.36	398.52	6.49	-45.87
C(OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1)C1CC1	REAL300020291051	1	52	-1.0	-52.44	398.58	6.50	-45.94
CCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291052	0	50	-1.0	-44.78	388.69	7.32	-37.46
CCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291052	1	50	-1.0	-44.80	388.75	7.34	-37.46
CCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291053	0	47	-1.0	-49.68	363.90	6.47	-43.21
CCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291053	1	47	-1.0	-49.67	363.96	6.49	-43.18
FC1(F)CC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC21	REAL300020291054	0	48	-1.0	-44.55	371.31	6.44	-38.11
FC1(F)CC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC21	REAL300020291054	1	48	-1.0	-44.46	371.33	6.45	-38.01
FC1(F)CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC21	REAL300020291055	0	45	-1.0	-44.36	356.40	6.42	-37.94
FC1(F)CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC21	REAL300020291055	1	45	-1.0	-44.34	356.47	6.44	-37.90
C(CC1=NN=C(N2CCCC3(CCO3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291056	0	52	-1.0	-40.38	399.35	5.62	-34.76
C(CC1=NN=C(N2CCCC3(CCO3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291056	1	52	-1.0	-40.36	399.41	5.64	-34.72
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCO3)C2)N1CC1CCOC1	REAL300020291057	0	49	-1.0	-48.45	376.94	5.31	-43.14
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCO3)C2)N1CC1CCOC1	REAL300020291057	1	49	-1.0	-48.45	377.00	5.33	-43.12
COC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020291058	0	51	-1.0	-45.55	404.71	5.52	-40.03
COC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020291058	1	51	-1.0	-45.61	404.78	5.54	-40.07
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291059	0	57	-1.0	-44.01	428.57	6.62	-37.39
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291059	1	57	-1.0	-43.97	428.62	6.65	-37.32
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291060	0	57	-1.0	-45.06	432.69	6.23	-38.83
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291060	1	57	-1.0	-45.05	432.75	6.26	-38.79
COC(=O)C12CC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291061	0	51	-1.0	-43.93	411.45	7.24	-36.69
COC(=O)C12CC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291061	1	51	-1.0	-43.97	411.50	7.26	-36.71
COC(=O)C12CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291062	0	48	-1.0	-44.02	389.30	6.48	-37.54
COC(=O)C12CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291062	1	48	-1.0	-44.06	389.32	6.50	-37.56
CCC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020291063	0	53	-1.0	-44.34	420.25	9.56	-34.78
CCC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020291063	1	53	-1.0	-44.30	420.30	9.58	-34.72
CCC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020291064	0	50	-1.0	-43.55	394.09	8.76	-34.79
CCC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020291064	1	50	-1.0	-43.51	394.04	8.73	-34.78
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1=CC=C2OCCOC2=C1	REAL300020291065	0	50	-1.0	-49.28	397.89	6.40	-42.88
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1=CC=C2OCCOC2=C1	REAL300020291065	1	50	-1.0	-49.30	397.83	6.37	-42.93
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291066	0	51	-1.0	-47.83	392.67	2.05	-45.78
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291066	1	51	-1.0	-47.81	392.73	2.07	-45.74
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291067	0	47	-1.0	-50.11	379.34	6.99	-43.12
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291067	1	47	-1.0	-50.09	379.28	6.99	-43.10
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC2=C1	REAL300020291068	0	52	-1.0	-43.62	401.19	6.84	-36.78
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC2=C1	REAL300020291068	1	52	-1.0	-43.66	401.26	6.86	-36.80
COC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020291069	0	54	-1.0	-41.13	428.22	7.76	-33.37
COC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020291069	1	54	-1.0	-41.16	428.28	7.78	-33.38
COC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=C1	REAL300020291070	0	51	-1.0	-50.76	401.01	6.33	-44.43
COC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=C1	REAL300020291070	1	51	-1.0	-50.79	400.95	6.32	-44.47
CC(F)(F)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291071	0	53	-1.0	-42.83	410.16	7.55	-35.28
CC(F)(F)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291071	1	53	-1.0	-42.80	410.22	7.57	-35.23
CC(F)(F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291072	0	50	-1.0	-42.90	397.04	7.28	-35.62
CC(F)(F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291072	1	50	-1.0	-42.90	397.17	7.30	-35.60
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)C1CC2(CC2)C1	REAL300020291073	0	51	-1.0	-41.87	391.58	8.01	-33.86
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)C1CC2(CC2)C1	REAL300020291073	1	51	-1.0	-41.88	391.64	8.03	-33.85
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)C1CC2(CC2)C1	REAL300020291074	0	48	-1.0	-42.64	377.78	7.52	-35.12
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)C1CC2(CC2)C1	REAL300020291074	1	48	-1.0	-42.69	377.85	7.54	-35.15
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC[C@H]1C	REAL300020291075	0	54	-1.0	-43.70	412.16	5.89	-37.81
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC[C@H]1C	REAL300020291075	1	54	-1.0	-43.68	412.21	5.90	-37.78
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC[C@H]1C	REAL300020291076	0	51	-1.0	-52.44	382.41	5.39	-47.05
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC[C@H]1C	REAL300020291076	1	51	-1.0	-52.48	382.47	5.39	-47.09
N#CC(C#N)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291077	0	52	-1.0	-49.35	422.48	7.86	-41.49
N#CC(C#N)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291077	1	52	-1.0	-49.31	422.54	7.87	-41.44
N#CC(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291078	0	49	-1.0	-51.59	406.01	6.98	-44.61
N#CC(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291078	1	49	-1.0	-51.61	406.14	7.00	-44.61
C(CC1=NN=C(N2CCC3CCCC(C3)C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291079	0	57	-1.0	-40.81	408.64	8.98	-31.83
C(CC1=NN=C(N2CCC3CCCC(C3)C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291079	1	57	-1.0	-40.84	408.70	8.99	-31.85
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCC(C3)C2)N1CC1CCOC1	REAL300020291080	0	54	-1.0	-50.54	388.23	7.58	-42.96
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCC(C3)C2)N1CC1CCOC1	REAL300020291080	1	54	-1.0	-50.58	388.16	7.58	-43.00
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C2)=NO1	REAL300020291081	0	50	-1.0	-47.91	397.44	6.62	-41.29
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C2)=NO1	REAL300020291081	1	50	-1.0	-47.93	397.50	6.63	-41.30
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)=NO1	REAL300020291082	0	47	-1.0	-58.06	363.51	5.68	-52.38
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)=NO1	REAL300020291082	1	47	-1.0	-58.09	363.60	5.69	-52.40
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C2)=NO1	REAL300020291083	0	50	-1.0	-47.91	397.44	6.62	-41.29
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C2)=NO1	REAL300020291083	1	50	-1.0	-47.93	397.50	6.63	-41.30
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)=NO1	REAL300020291084	0	47	-1.0	-58.06	363.51	5.68	-52.38
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)=NO1	REAL300020291084	1	47	-1.0	-58.09	363.60	5.69	-52.40
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291085	0	52	-1.0	-42.46	403.72	3.58	-38.88
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291085	1	52	-1.0	-42.42	403.78	3.60	-38.82
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291086	0	49	-1.0	-47.62	377.75	2.86	-44.76
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291086	1	49	-1.0	-47.62	377.81	2.89	-44.73
CC1CC(F)(F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291087	0	47	-1.0	-38.90	368.55	5.34	-33.56
CC1CC(F)(F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291087	1	47	-1.0	-38.89	368.61	5.35	-33.54
CC1CC(F)(F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291088	0	44	-1.0	-41.94	352.25	5.29	-36.65
CC1CC(F)(F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291088	1	44	-1.0	-41.93	352.33	5.31	-36.62
C1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2)=C1	REAL300020291089	0	53	-1.0	-46.15	414.57	7.24	-38.91
C1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2)=C1	REAL300020291089	1	53	-1.0	-46.18	414.63	7.24	-38.94
C1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)=C1	REAL300020291090	0	50	-1.0	-43.27	404.80	6.93	-36.34
C1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)=C1	REAL300020291090	1	50	-1.0	-43.26	404.86	6.96	-36.30
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291091	0	49	-1.0	-50.93	399.74	7.70	-43.23
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291091	1	49	-1.0	-50.98	399.67	7.69	-43.29
COCCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020291092	0	55	-1.0	-42.74	421.41	4.84	-37.90
COCCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020291092	1	55	-1.0	-42.72	421.48	4.85	-37.87
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291093	0	56	-1.0	-42.24	424.09	7.26	-34.98
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291093	1	56	-1.0	-42.21	424.14	7.27	-34.94
CCCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291094	0	53	-1.0	-42.37	405.42	6.83	-35.54
CCCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291094	1	53	-1.0	-42.35	405.48	6.86	-35.49
C(CC1=NN=C(N2CC3CC4CC3C2C4)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291095	0	52	-1.0	-45.64	376.92	6.69	-38.95
C(CC1=NN=C(N2CC3CC4CC3C2C4)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291095	1	52	-1.0	-45.65	376.97	6.71	-38.94
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CC4CC3C2C4)N1CC1CCOC1	REAL300020291096	0	49	-1.0	-48.33	361.69	6.79	-41.54
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CC4CC3C2C4)N1CC1CCOC1	REAL300020291096	1	49	-1.0	-48.34	361.75	6.82	-41.52
CC1=CC=C(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C=C1	REAL300020291097	0	54	-1.0	-42.98	430.36	7.73	-35.25
CC1=CC=C(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C=C1	REAL300020291097	1	54	-1.0	-42.96	430.42	7.75	-35.21
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)O1	REAL300020291098	0	49	-1.0	-56.18	394.68	1.84	-54.34
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)O1	REAL300020291098	1	49	-1.0	-56.17	394.74	1.86	-54.31
COC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291099	0	52	-1.0	-48.81	403.42	9.14	-39.67
COC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291099	1	52	-1.0	-48.83	403.48	9.15	-39.68
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291100	0	49	-1.0	-43.68	393.18	8.31	-35.37
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291100	1	49	-1.0	-43.64	393.12	8.30	-35.34
COC(=O)C[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291101	0	53	-1.0	-45.37	416.33	7.30	-38.07
COC(=O)C[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291101	1	53	-1.0	-45.40	416.39	7.31	-38.09
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291102	0	50	-1.0	-53.74	384.02	5.90	-47.84
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291102	1	50	-1.0	-53.75	384.07	5.91	-47.84
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1(F)F	REAL300020291103	0	47	-1.0	-40.49	371.13	6.46	-34.03
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1(F)F	REAL300020291103	1	47	-1.0	-40.51	371.19	6.48	-34.03
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1(F)F	REAL300020291104	0	44	-1.0	-49.20	328.74	4.59	-44.61
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1(F)F	REAL300020291104	1	44	-1.0	-49.19	328.74	4.62	-44.57
C1=CC2(CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)OC1	REAL300020291105	0	53	-1.0	-56.09	378.66	5.96	-50.13
C1=CC2(CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)OC1	REAL300020291105	1	53	-1.0	-56.09	378.75	5.96	-50.13
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCO3)CC2)N1CC1CCOC1	REAL300020291106	0	55	-1.0	-44.18	411.78	6.97	-37.21
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCO3)CC2)N1CC1CCOC1	REAL300020291106	1	55	-1.0	-44.23	411.77	7.00	-37.23
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC2CCCN12	REAL300020291107	0	52	-1.0	-46.39	397.89	5.06	-41.33
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC2CCCN12	REAL300020291107	1	52	-1.0	-46.36	397.95	5.08	-41.28
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2CCCN12	REAL300020291108	0	49	-1.0	-50.72	378.14	4.68	-46.04
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2CCCN12	REAL300020291108	1	49	-1.0	-50.72	378.20	4.71	-46.01
C=C1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291109	0	48	-1.0	-41.20	376.50	7.31	-33.89
C=C1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291109	1	48	-1.0	-41.30	376.56	7.32	-33.98
C=C1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291110	0	45	-1.0	-44.53	356.73	6.02	-38.51
C=C1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291110	1	45	-1.0	-44.56	356.67	6.01	-38.55
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCOC2)C1	REAL300020291111	0	52	-1.0	-46.27	416.51	9.00	-37.27
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCOC2)C1	REAL300020291111	1	52	-1.0	-46.27	416.57	9.00	-37.27
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)O1	REAL300020291112	0	49	-1.0	-48.96	391.15	1.25	-47.71
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)O1	REAL300020291112	1	49	-1.0	-48.97	391.21	1.28	-47.69
CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291113	0	51	-1.0	-44.58	399.47	5.49	-39.09
CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291113	1	51	-1.0	-44.54	399.53	5.50	-39.04
CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291114	0	48	-1.0	-49.68	372.50	5.22	-44.46
CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291114	1	48	-1.0	-49.73	372.56	5.25	-44.48
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)[C@H]2COC[C@H]21	REAL300020291115	0	53	-1.0	-42.75	413.55	4.37	-38.38
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)[C@H]2COC[C@H]21	REAL300020291115	1	53	-1.0	-42.72	413.60	4.38	-38.34
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)[C@H]2COC[C@H]21	REAL300020291116	0	50	-1.0	-46.04	384.71	2.81	-43.23
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)[C@H]2COC[C@H]21	REAL300020291116	1	50	-1.0	-46.02	384.77	2.84	-43.18
CSCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291117	0	54	-1.0	-42.09	417.79	7.88	-34.21
CSCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291117	1	54	-1.0	-42.09	417.85	7.89	-34.20
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCC(F)(F)C1	REAL300020291118	0	53	-1.0	-46.01	396.62	7.67	-38.34
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCC(F)(F)C1	REAL300020291118	1	53	-1.0	-45.92	396.69	7.69	-38.23
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCC(F)(F)C1	REAL300020291119	0	50	-1.0	-48.87	380.89	6.67	-42.20
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCC(F)(F)C1	REAL300020291119	1	50	-1.0	-48.86	381.00	6.67	-42.19
COC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291120	0	53	-1.0	-47.03	408.18	7.52	-39.51
COC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291120	1	53	-1.0	-47.01	408.24	7.55	-39.46
COC(=O)C[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291121	0	53	-1.0	-47.03	408.28	7.55	-39.48
COC(=O)C[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291121	1	53	-1.0	-46.99	408.34	7.58	-39.41
COC(=O)C[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291122	0	53	-1.0	-48.36	414.29	7.32	-41.04
COC(=O)C[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291122	1	53	-1.0	-48.36	414.38	7.33	-41.03
CC1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C2)=C1	REAL300020291123	0	53	-1.0	-52.04	413.90	6.96	-45.08
CC1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C2)=C1	REAL300020291123	1	53	-1.0	-52.02	413.96	6.97	-45.05
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)=C1	REAL300020291124	0	50	-1.0	-52.16	377.62	5.61	-46.55
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)=C1	REAL300020291124	1	50	-1.0	-52.10	377.68	5.62	-46.48
CC(C1CCCO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291125	0	54	-1.0	-41.26	408.18	6.15	-35.11
CC(C1CCCO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291125	1	54	-1.0	-41.26	408.24	6.17	-35.09
CC(C1CCCO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291126	0	51	-1.0	-44.68	382.03	4.95	-39.73
CC(C1CCCO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291126	1	51	-1.0	-44.67	382.09	4.97	-39.70
C[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291127	0	47	-1.0	-45.04	351.45	5.16	-39.88
C[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291127	1	47	-1.0	-45.05	351.51	5.18	-39.87
C[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291128	0	44	-1.0	-47.62	330.65	4.50	-43.12
C[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291128	1	44	-1.0	-47.61	330.60	4.47	-43.14
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020291129	0	51	-1.0	-43.28	396.66	8.25	-35.03
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020291129	1	51	-1.0	-43.20	396.73	8.25	-34.95
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC[C@H]1F	REAL300020291130	0	51	-1.0	-44.83	378.86	4.25	-40.58
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC[C@H]1F	REAL300020291130	1	51	-1.0	-44.81	378.92	4.27	-40.54
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC[C@H]1F	REAL300020291131	0	48	-1.0	-41.34	379.65	5.04	-36.30
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC[C@H]1F	REAL300020291131	1	48	-1.0	-41.35	379.71	5.07	-36.28
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291132	0	52	-1.0	-43.21	398.59	7.21	-36.00
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291132	1	52	-1.0	-43.22	398.65	7.24	-35.98
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291133	0	51	-1.0	-56.38	389.14	2.18	-54.20
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291133	1	51	-1.0	-56.41	389.19	2.20	-54.21
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291134	0	48	-1.0	-44.19	358.12	3.17	-41.02
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291134	1	48	-1.0	-44.16	358.15	3.17	-40.99
O=S1(=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCN1	REAL300020291135	0	49	-1.0	-50.97	390.65	1.03	-49.94
O=S1(=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCN1	REAL300020291135	1	49	-1.0	-50.92	390.71	1.05	-49.87
O=S1(=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCN1	REAL300020291136	0	46	-1.0	-49.39	369.09	0.26	-49.13
O=S1(=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCN1	REAL300020291136	1	46	-1.0	-49.39	369.16	0.27	-49.12
FC1(F)C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CCC21	REAL300020291137	0	51	-1.0	-41.20	399.12	7.89	-33.31
FC1(F)C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CCC21	REAL300020291137	1	51	-1.0	-41.21	399.17	7.91	-33.30
FC1(F)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CCC21	REAL300020291138	0	48	-1.0	-45.06	376.57	7.39	-37.67
FC1(F)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CCC21	REAL300020291138	1	48	-1.0	-45.04	376.63	7.42	-37.62
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291139	0	59	0.0	-64.65	433.60	7.69	-56.96
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291139	1	59	0.0	-69.72	424.12	7.90	-61.82
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291139	1	59	0.0	-64.61	433.66	7.72	-56.89
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291139	1	59	0.0	-69.71	424.18	7.94	-61.77
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291140	0	51	-1.0	-49.36	403.36	9.95	-39.41
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291140	1	51	-1.0	-49.35	403.31	9.92	-39.43
CC1C2=CC=CN=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291141	0	53	-1.0	-43.87	402.41	6.13	-37.74
CC1C2=CC=CN=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291141	1	53	-1.0	-43.92	402.47	6.15	-37.77
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291142	0	50	-1.0	-47.31	375.01	5.64	-41.67
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291142	1	50	-1.0	-47.32	375.06	5.65	-41.67
C(CC1=NN=C(N2CCCCCCCCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291143	0	59	-1.0	-41.01	418.15	7.46	-33.55
C(CC1=NN=C(N2CCCCCCCCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291143	1	59	-1.0	-41.08	418.21	7.48	-33.60
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCCCC2)N1CC1CCOC1	REAL300020291144	0	56	-1.0	-44.37	396.65	6.67	-37.70
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCCCC2)N1CC1CCOC1	REAL300020291144	1	56	-1.0	-44.31	396.71	6.69	-37.62
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291145	0	51	-1.0	-41.35	383.42	7.20	-34.15
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291145	1	51	-1.0	-41.35	383.48	7.22	-34.13
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291146	0	48	-1.0	-46.17	358.88	5.32	-40.85
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291146	1	48	-1.0	-46.19	358.94	5.34	-40.85
C[C@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291147	0	48	-1.0	-41.93	365.80	4.70	-37.23
C[C@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291147	1	48	-1.0	-41.91	365.86	4.72	-37.19
C[C@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291148	0	45	-1.0	-40.27	360.31	5.52	-34.75
C[C@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291148	1	45	-1.0	-40.29	360.37	5.54	-34.75
C#CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291149	0	45	-1.0	-41.18	363.14	6.26	-34.92
C#CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291149	1	45	-1.0	-41.18	363.19	6.27	-34.91
C#CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291150	0	42	-1.0	-42.23	347.63	5.70	-36.53
C#CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291150	1	42	-1.0	-42.23	347.57	5.67	-36.56
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020291151	0	49	-1.0	-45.11	404.33	8.93	-36.18
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020291151	1	49	-1.0	-45.04	404.45	8.93	-36.11
FC1(F)CC2CC1N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291152	0	48	-1.0	-48.62	367.05	6.01	-42.61
FC1(F)CC2CC1N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291152	1	48	-1.0	-48.58	367.11	6.02	-42.56
FC1(F)CC2CC1N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291153	0	45	-1.0	-47.56	346.85	4.97	-42.59
FC1(F)CC2CC1N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291153	1	45	-1.0	-47.53	346.90	4.98	-42.55
CN(CC12CCC(CC1)C2)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291154	0	57	-1.0	-44.58	420.25	7.80	-36.78
CN(CC12CCC(CC1)C2)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291154	1	57	-1.0	-44.60	420.31	7.82	-36.78
CN(CC12CCC(CC1)C2)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291155	0	54	-1.0	-42.08	395.29	7.18	-34.90
CN(CC12CCC(CC1)C2)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291155	1	54	-1.0	-42.08	395.36	7.20	-34.88
CC(F)(F)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291156	0	53	-1.0	-46.98	392.16	6.47	-40.51
CC(F)(F)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291156	1	53	-1.0	-47.01	392.22	6.48	-40.53
CC(F)(F)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291157	0	50	-1.0	-50.52	385.13	7.59	-42.93
CC(F)(F)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291157	1	50	-1.0	-50.51	385.20	7.62	-42.89
FCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291158	0	56	-1.0	-44.92	427.23	8.46	-36.46
FCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291158	1	56	-1.0	-44.93	427.28	8.48	-36.45
FCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291159	0	53	-1.0	-52.15	397.19	7.92	-44.23
FCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291159	1	53	-1.0	-52.16	397.25	7.92	-44.24
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291160	0	51	-1.0	-49.00	395.80	2.95	-46.05
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291160	1	51	-1.0	-49.01	395.86	2.96	-46.05
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291161	0	48	-1.0	-58.10	365.76	2.41	-55.69
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291161	1	48	-1.0	-58.17	365.82	2.41	-55.76
OCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291162	0	51	-1.0	-45.86	399.76	4.04	-41.82
OCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291162	1	51	-1.0	-45.93	399.81	4.06	-41.87
OCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291163	0	48	-1.0	-48.43	378.41	3.68	-44.75
OCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291163	1	48	-1.0	-48.44	378.47	3.70	-44.74
CCOC(=O)C1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291164	0	51	-1.0	-46.48	402.73	6.82	-39.66
CCOC(=O)C1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291164	1	51	-1.0	-46.47	402.78	6.85	-39.62
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291165	0	51	-1.0	-53.82	379.80	7.39	-46.43
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291165	1	51	-1.0	-53.80	379.84	7.41	-46.39
CO[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291166	0	51	-1.0	-44.71	396.15	5.05	-39.66
CO[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291166	1	51	-1.0	-44.73	396.20	5.07	-39.66
CO[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291167	0	48	-1.0	-47.14	369.95	5.17	-41.97
CO[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291167	1	48	-1.0	-47.18	370.02	5.19	-41.99
COC(=O)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291168	0	51	-1.0	-41.37	409.77	6.96	-34.41
COC(=O)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291168	1	51	-1.0	-41.41	409.83	6.97	-34.44
COC(=O)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291169	0	48	-1.0	-52.03	365.17	5.22	-46.81
COC(=O)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291169	1	48	-1.0	-51.99	365.22	5.23	-46.76
CC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020291170	0	51	-1.0	-42.30	381.78	4.54	-37.76
CC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020291170	1	51	-1.0	-42.33	381.84	4.55	-37.78
CC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020291171	0	48	-1.0	-42.17	370.88	4.60	-37.57
CC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020291171	1	48	-1.0	-42.14	370.95	4.62	-37.52
CO[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291172	0	51	-1.0	-45.36	380.21	4.31	-41.05
CO[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291172	1	51	-1.0	-45.34	380.26	4.32	-41.02
CO[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291173	0	48	-1.0	-45.74	361.36	3.66	-42.08
CO[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291173	1	48	-1.0	-45.73	361.42	3.69	-42.04
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020291174	0	52	-1.0	-44.59	405.28	3.60	-40.99
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020291174	1	52	-1.0	-44.61	405.33	3.61	-41.00
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020291175	0	49	-1.0	-50.94	378.36	2.97	-47.97
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020291175	1	49	-1.0	-50.96	378.37	2.98	-47.98
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020291176	0	52	-1.0	-45.08	404.18	3.71	-41.37
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020291176	1	52	-1.0	-45.09	404.24	3.72	-41.37
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CCO1	REAL300020291177	0	49	-1.0	-42.26	394.85	3.32	-38.94
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CCO1	REAL300020291177	1	49	-1.0	-42.25	394.90	3.35	-38.90
C1=CC2(CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C2)OC1	REAL300020291178	0	53	-1.0	-45.93	403.31	5.92	-40.01
C1=CC2(CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C2)OC1	REAL300020291178	1	53	-1.0	-45.97	403.37	5.93	-40.04
C1=CC2(CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)OC1	REAL300020291179	0	50	-1.0	-50.55	383.54	5.18	-45.37
C1=CC2(CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)OC1	REAL300020291179	1	50	-1.0	-50.68	383.55	5.21	-45.47
CC1(C)C=CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291180	0	48	-1.0	-43.39	359.92	5.87	-37.52
CC1(C)C=CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291180	1	48	-1.0	-43.41	359.98	5.88	-37.53
CC1(C)C=CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291181	0	45	-1.0	-48.26	338.75	5.36	-42.90
CC1(C)C=CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291181	1	45	-1.0	-48.26	338.67	5.34	-42.92
CC1(C)C=CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020291182	0	52	-1.0	-44.30	401.83	8.48	-35.82
CC1(C)C=CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020291182	1	52	-1.0	-44.30	401.83	8.48	-35.82
CC1NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291183	0	50	-1.0	-54.48	389.73	2.52	-51.96
CC1NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291183	1	50	-1.0	-54.46	389.80	2.54	-51.92
O=C1N[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C[C@@H]2O1	REAL300020291184	0	50	-1.0	-54.29	387.17	2.20	-52.09
O=C1N[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C[C@@H]2O1	REAL300020291184	1	50	-1.0	-54.29	387.23	2.22	-52.07
O=C1N[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C[C@@H]2O1	REAL300020291185	0	47	-1.0	-57.76	373.34	1.80	-55.96
O=C1N[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C[C@@H]2O1	REAL300020291185	1	47	-1.0	-57.78	373.40	1.82	-55.96
C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291186	0	47	-1.0	-44.57	359.82	6.02	-38.55
C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291186	1	47	-1.0	-44.60	359.87	6.03	-38.57
C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291187	0	44	-1.0	-41.87	334.51	4.37	-37.50
C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291187	1	44	-1.0	-41.90	334.45	4.35	-37.55
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020291188	0	51	-1.0	-44.78	400.81	8.59	-36.19
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020291188	1	51	-1.0	-44.76	400.87	8.58	-36.18
C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291189	0	47	-1.0	-44.57	359.82	6.02	-38.55
C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291189	1	47	-1.0	-44.60	359.87	6.03	-38.57
C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291190	0	44	-1.0	-41.87	334.51	4.37	-37.50
C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291190	1	44	-1.0	-41.90	334.45	4.35	-37.55
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCOC1	REAL300020291191	0	51	-1.0	-44.78	400.81	8.59	-36.19
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCOC1	REAL300020291191	1	51	-1.0	-44.76	400.87	8.58	-36.18
FC1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2(CCC2)C1	REAL300020291192	0	51	-1.0	-46.85	390.88	7.00	-39.85
FC1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2(CCC2)C1	REAL300020291192	1	51	-1.0	-46.84	390.85	6.97	-39.87
CP(C)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC1	REAL300020291193	0	53	-1.0	-48.89	427.78	5.53	-43.36
CP(C)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC1	REAL300020291193	1	53	-1.0	-48.90	427.90	5.55	-43.35
CP(C)(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291194	0	53	-1.0	-51.21	418.41	5.72	-45.49
CP(C)(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291194	1	53	-1.0	-51.21	418.46	5.75	-45.46
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2CCCCN12	REAL300020291195	0	52	-1.0	-44.23	393.38	6.10	-38.13
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2CCCCN12	REAL300020291195	1	52	-1.0	-44.27	393.44	6.14	-38.13
C1=CC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)CC2)OC1	REAL300020291196	0	53	-1.0	-43.92	409.30	6.47	-37.45
C1=CC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)CC2)OC1	REAL300020291196	1	53	-1.0	-43.93	409.36	6.49	-37.44
C1=CC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)OC1	REAL300020291197	0	50	-1.0	-53.64	380.58	5.67	-47.97
C1=CC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)OC1	REAL300020291197	1	50	-1.0	-53.62	380.85	5.70	-47.92
CCN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291198	0	57	-1.0	-45.07	427.10	5.85	-39.22
CCN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291198	1	57	-1.0	-45.05	427.15	5.87	-39.18
CCN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291199	0	54	-1.0	-52.93	400.97	5.35	-47.58
CCN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291199	1	54	-1.0	-52.94	400.95	5.32	-47.62
CC1=CSC(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020291200	0	49	-1.0	-43.69	408.25	5.87	-37.82
CC1=CSC(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020291200	1	49	-1.0	-43.73	408.30	5.89	-37.84
C(CC1=NN=C(N2CCC3(C2)CCCCO3)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291201	0	55	-1.0	-45.10	409.33	6.04	-39.06
C(CC1=NN=C(N2CCC3(C2)CCCCO3)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291201	1	55	-1.0	-45.11	409.39	6.05	-39.06
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)CCCCO3)N1CC1CCOC1	REAL300020291202	0	52	-1.0	-54.40	382.71	5.48	-48.92
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)CCCCO3)N1CC1CCOC1	REAL300020291202	1	52	-1.0	-54.42	382.76	5.49	-48.93
FC(F)(F)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291203	0	44	-1.0	-41.36	370.04	5.96	-35.40
FC(F)(F)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291203	1	44	-1.0	-41.30	370.09	5.98	-35.32
OC[C@]12CCC[C@H]1N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CCC2	REAL300020291204	0	55	-1.0	-43.77	404.31	3.82	-39.95
OC[C@]12CCC[C@H]1N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CCC2	REAL300020291204	1	55	-1.0	-43.80	404.35	3.85	-39.95
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020291205	0	50	-1.0	-43.90	398.07	8.60	-35.30
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020291205	1	50	-1.0	-43.88	398.01	8.59	-35.29
CCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020291206	0	47	-1.0	-46.85	384.10	8.11	-38.74
CCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020291206	1	47	-1.0	-46.83	384.04	8.08	-38.75
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3=NOCC3)CC2)N1CC1CCOC1	REAL300020291207	0	52	-1.0	-51.98	406.77	6.49	-45.49
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3=NOCC3)CC2)N1CC1CCOC1	REAL300020291207	1	52	-1.0	-52.00	406.83	6.52	-45.48
C(CC1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291208	0	49	-1.0	-42.74	366.91	6.99	-35.75
C(CC1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291208	1	49	-1.0	-42.73	366.97	7.01	-35.72
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1CC1CCOC1	REAL300020291209	0	46	-1.0	-45.09	340.78	6.45	-38.64
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1CC1CCOC1	REAL300020291209	1	46	-1.0	-45.11	340.84	6.47	-38.64
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C1CC2C1	REAL300020291210	0	52	-1.0	-50.16	389.68	9.39	-40.77
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C1CC2C1	REAL300020291210	1	52	-1.0	-50.18	389.64	9.38	-40.80
C1=CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCOC3)C2)OC1	REAL300020291211	0	53	-1.0	-43.71	399.87	6.28	-37.43
C1=CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCOC3)C2)OC1	REAL300020291211	1	53	-1.0	-43.77	399.93	6.29	-37.48
C1=CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)OC1	REAL300020291212	0	50	-1.0	-41.33	387.97	5.62	-35.71
C1=CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)OC1	REAL300020291212	1	50	-1.0	-41.35	388.05	5.63	-35.72
C(CC1=NN=C(N2CCOCCOCC2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291213	0	52	-1.0	-39.99	378.38	3.38	-36.61
C(CC1=NN=C(N2CCOCCOCC2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291213	1	52	-1.0	-40.03	378.43	3.39	-36.64
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCCOCC2)N1CC1CCOC1	REAL300020291214	0	49	-1.0	-41.43	362.42	2.74	-38.69
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCCOCC2)N1CC1CCOC1	REAL300020291214	1	49	-1.0	-41.42	362.48	2.76	-38.66
C1=CCC2(CC2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291215	0	52	-1.0	-42.71	400.39	7.97	-34.74
C1=CCC2(CC2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291215	1	52	-1.0	-42.70	400.45	7.98	-34.72
C1=CCC2(CC2)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291216	0	49	-1.0	-45.16	362.96	7.05	-38.11
C1=CCC2(CC2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291216	1	49	-1.0	-45.18	363.02	7.07	-38.11
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020291217	0	54	-1.0	-44.92	421.03	9.01	-35.91
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020291217	1	54	-1.0	-44.97	421.09	9.03	-35.94
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020291218	0	51	-1.0	-50.11	400.08	9.00	-41.11
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020291218	1	51	-1.0	-50.12	400.14	9.02	-41.10
C(CC1=NN=C(N2CCC3CCCCC32)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291219	0	54	-1.0	-43.39	406.43	7.57	-35.82
C(CC1=NN=C(N2CCC3CCCCC32)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291219	1	54	-1.0	-43.39	406.49	7.59	-35.80
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCCC32)N1CC1CCOC1	REAL300020291220	0	51	-1.0	-53.87	378.04	7.04	-46.83
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCCC32)N1CC1CCOC1	REAL300020291220	1	51	-1.0	-53.85	378.09	7.05	-46.80
CCC(O)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291221	0	53	-1.0	-40.14	403.83	4.18	-35.96
CCC(O)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291221	1	53	-1.0	-40.18	403.89	4.20	-35.98
CCC(O)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291222	0	50	-1.0	-41.81	391.87	3.22	-38.59
CCC(O)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291222	1	50	-1.0	-41.82	391.93	3.25	-38.57
CCN(CCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291223	0	53	-1.0	-42.64	411.22	3.53	-39.11
CCN(CCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291223	1	53	-1.0	-42.67	411.28	3.54	-39.13
CCN(CCCCO)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291224	0	50	-1.0	-44.31	394.82	3.05	-41.26
CCN(CCCCO)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291224	1	50	-1.0	-44.29	394.87	3.06	-41.23
C1=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=CC(OC2CCC2)=C1	REAL300020291225	0	52	-1.0	-49.18	412.85	9.03	-40.15
C1=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=CC(OC2CCC2)=C1	REAL300020291225	1	52	-1.0	-49.17	412.79	9.01	-40.16
CN1C(=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)[C@H]2C[C@H]21	REAL300020291226	0	49	-1.0	-43.09	387.39	5.49	-37.60
CN1C(=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)[C@H]2C[C@H]21	REAL300020291226	1	49	-1.0	-43.11	387.45	5.51	-37.60
CN1C(=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)[C@H]2C[C@H]21	REAL300020291227	0	46	-1.0	-43.69	365.19	4.68	-39.01
CN1C(=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)[C@H]2C[C@H]21	REAL300020291227	1	46	-1.0	-43.69	365.24	4.71	-38.98
CC1=NOC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)CC2	REAL300020291228	0	52	-1.0	-52.01	395.39	5.45	-46.56
CC1=NOC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)CC2	REAL300020291228	1	52	-1.0	-51.97	395.45	5.47	-46.50
COC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291229	0	53	-1.0	-54.62	413.88	7.39	-47.23
COC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291229	1	53	-1.0	-54.62	413.93	7.41	-47.21
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCOC1	REAL300020291230	0	51	-1.0	-44.40	401.65	7.36	-37.04
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCOC1	REAL300020291230	1	51	-1.0	-44.46	401.72	7.39	-37.07
O=C1NC2=C(CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)C2)C(=O)N1	REAL300020291231	0	45	-1.0	-45.92	369.21	1.26	-44.66
O=C1NC2=C(CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)C2)C(=O)N1	REAL300020291231	1	45	-1.0	-45.95	369.27	1.28	-44.67
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)CC2COCCN12	REAL300020291232	0	50	-1.0	-44.41	384.73	3.67	-40.74
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)CC2COCCN12	REAL300020291232	1	50	-1.0	-44.43	384.79	3.69	-40.74
FC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291233	0	48	-1.0	-40.79	374.27	7.79	-33.00
FC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291233	1	48	-1.0	-40.80	374.33	7.80	-33.00
FC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCOC1)C2	REAL300020291234	0	45	-1.0	-53.10	343.00	6.35	-46.75
FC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCOC1)C2	REAL300020291234	1	45	-1.0	-53.14	343.06	6.36	-46.78
C(CC1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291235	0	46	-1.0	-47.06	349.88	3.38	-43.68
C(CC1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291235	1	46	-1.0	-47.05	349.94	3.40	-43.65
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1CC1CCOC1	REAL300020291236	0	43	-1.0	-47.60	332.47	3.23	-44.37
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1CC1CCOC1	REAL300020291236	1	43	-1.0	-47.63	332.49	3.25	-44.38
C1=CC(C2=NN=C(N3C[C@H]4C[C@@H]3CO4)N2CC2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020291237	0	50	-1.0	-48.62	390.25	5.35	-43.27
C1=CC(C2=NN=C(N3C[C@H]4C[C@@H]3CO4)N2CC2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020291237	1	50	-1.0	-48.56	390.30	5.35	-43.21
O=C1NCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCOC3)CC2)N1	REAL300020291238	0	51	-1.0	-53.99	391.89	1.56	-52.43
O=C1NCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCOC3)CC2)N1	REAL300020291238	1	51	-1.0	-54.02	391.95	1.60	-52.42
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C[C@H]1F	REAL300020291239	0	50	-1.0	-50.91	395.82	6.08	-44.83
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C[C@H]1F	REAL300020291239	1	50	-1.0	-50.93	395.78	6.09	-44.84
CC(C)CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020291240	0	53	-1.0	-43.47	413.42	9.40	-34.07
CC(C)CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020291240	1	53	-1.0	-43.50	413.37	9.39	-34.11
CC(C)CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)=N1	REAL300020291241	0	50	-1.0	-46.96	403.91	8.89	-38.07
CC(C)CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)=N1	REAL300020291241	1	50	-1.0	-46.92	403.85	8.86	-38.06
CC(=O)NCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291242	0	54	-1.0	-51.42	420.17	4.78	-46.64
CC(=O)NCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291242	1	54	-1.0	-51.43	420.23	4.79	-46.64
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCOC2)C1	REAL300020291243	0	51	-1.0	-56.61	398.33	4.25	-52.36
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCOC2)C1	REAL300020291243	1	51	-1.0	-56.63	398.39	4.27	-52.36
C(CC1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1CC1CCOC1)C1=N[N-]N=N1	REAL300020291244	0	50	-1.0	-47.85	374.93	3.43	-44.42
C(CC1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1CC1CCOC1)C1=NN=N[N-]1	REAL300020291244	1	50	-1.0	-47.86	374.98	3.45	-44.41
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1CC1CCOC1	REAL300020291245	0	47	-1.0	-48.46	357.86	2.79	-45.67
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1CC1CCOC1	REAL300020291245	1	47	-1.0	-48.42	357.92	2.81	-45.61
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291246	0	53	-1.0	-41.24	421.44	8.99	-32.25
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291246	1	53	-1.0	-41.25	421.50	9.00	-32.25
CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291247	0	50	-1.0	-42.86	401.22	8.30	-34.56
CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291247	1	50	-1.0	-42.90	401.16	8.27	-34.63
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291248	0	56	-1.0	-47.91	437.16	8.57	-39.34
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291248	1	56	-1.0	-47.91	437.21	8.59	-39.32
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCCC1	REAL300020291249	0	56	-1.0	-41.41	423.57	8.23	-33.18
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCCC1	REAL300020291249	1	56	-1.0	-41.42	423.62	8.25	-33.17
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCCC1	REAL300020291250	0	53	-1.0	-44.92	390.91	7.78	-37.14
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCCC1	REAL300020291250	1	53	-1.0	-44.93	390.96	7.81	-37.12
CCSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291251	0	56	-1.0	-48.58	421.94	9.18	-39.40
CCSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291251	1	56	-1.0	-48.60	421.98	9.19	-39.41
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291252	0	58	-1.0	-44.72	434.53	9.22	-35.50
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291252	1	58	-1.0	-44.73	434.58	9.23	-35.50
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291253	0	55	-1.0	-49.08	410.84	8.81	-40.27
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291253	1	55	-1.0	-49.03	410.87	8.82	-40.21
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCC2=CC=CC=C21	REAL300020291254	0	54	-1.0	-46.64	420.02	8.36	-38.28
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCC2=CC=CC=C21	REAL300020291254	1	54	-1.0	-46.61	419.98	8.34	-38.27
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CC2)OCCO3)N1CC1CCCCO1	REAL300020291255	0	53	-1.0	-46.38	408.38	5.50	-40.88
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CC2)OCCO3)N1CC1CCCCO1	REAL300020291255	1	53	-1.0	-46.35	408.44	5.53	-40.82
C(CC1=NN=C(N2CCSCC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291256	0	48	-1.0	-39.22	390.99	7.04	-32.18
C(CC1=NN=C(N2CCSCC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291256	1	48	-1.0	-39.21	391.05	7.05	-32.16
C(C1=N[N-]N=N1)C1=NN=C(N2CCSCC2)N1CC1CCCCO1	REAL300020291257	0	45	-1.0	-42.43	367.91	6.24	-36.19
C(C1=NN=N[N-]1)C1=NN=C(N2CCSCC2)N1CC1CCCCO1	REAL300020291257	1	45	-1.0	-42.43	367.96	6.27	-36.16
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C(C)C	REAL300020291258	0	52	-1.0	-43.42	389.54	7.47	-35.95
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C(C)C	REAL300020291258	1	52	-1.0	-43.45	389.59	7.48	-35.97
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C(C)C	REAL300020291259	0	49	-1.0	-45.04	364.51	6.62	-38.42
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C(C)C	REAL300020291259	1	49	-1.0	-45.06	364.56	6.64	-38.42
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1)C(C)C	REAL300020291260	0	56	-1.0	-44.54	425.38	9.37	-35.17
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1)C(C)C	REAL300020291260	1	56	-1.0	-44.53	425.33	9.36	-35.17
OCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291261	0	54	-1.0	-44.64	415.63	4.72	-39.92
OCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291261	1	54	-1.0	-44.64	415.68	4.74	-39.90
OCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291262	0	51	-1.0	-44.62	401.18	3.82	-40.80
OCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291262	1	51	-1.0	-44.63	401.24	3.84	-40.79
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291263	0	53	-1.0	-43.21	408.00	7.70	-35.51
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291263	1	53	-1.0	-43.23	408.05	7.72	-35.51
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CCOC2)C2CC2)N1CC1CCCCO1	REAL300020291264	0	55	-1.0	-49.22	411.81	7.02	-42.20
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CCOC2)C2CC2)N1CC1CCCCO1	REAL300020291264	1	55	-1.0	-49.22	411.85	7.03	-42.19
CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291265	0	59	-1.0	-44.51	424.00	8.85	-35.66
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291265	1	59	-1.0	-44.50	424.06	8.88	-35.62
CC1CCCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291266	0	59	-1.0	-43.93	431.27	8.84	-35.09
CC1CCCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291266	1	59	-1.0	-43.94	431.33	8.86	-35.08
CC1CCCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291267	0	56	-1.0	-42.08	410.55	8.11	-33.97
CC1CCCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291267	1	56	-1.0	-42.06	410.60	8.13	-33.93
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291268	0	53	-1.0	-40.87	410.27	7.68	-33.19
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291268	1	53	-1.0	-40.88	410.32	7.69	-33.19
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291269	0	50	-1.0	-43.25	388.78	7.15	-36.10
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291269	1	50	-1.0	-43.27	388.84	7.17	-36.10
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1C	REAL300020291270	0	53	-1.0	-40.03	405.02	7.36	-32.67
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1C	REAL300020291270	1	53	-1.0	-40.00	405.07	7.37	-32.63
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1C	REAL300020291271	0	50	-1.0	-45.41	390.71	6.97	-38.44
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1C	REAL300020291271	1	50	-1.0	-45.42	390.77	7.00	-38.42
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCCCCC32)N1CC1CCCCO1	REAL300020291272	0	57	-1.0	-45.86	408.13	6.83	-39.03
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCCCCC32)N1CC1CCCCO1	REAL300020291272	1	57	-1.0	-45.87	408.19	6.86	-39.01
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291273	0	56	-1.0	-48.24	427.18	9.34	-38.90
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291273	1	56	-1.0	-48.22	427.23	9.36	-38.86
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291274	0	56	-1.0	-49.53	429.27	9.31	-40.22
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291274	1	56	-1.0	-49.53	429.33	9.33	-40.20
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C(C)C	REAL300020291275	0	61	-1.0	-42.86	454.63	8.92	-33.94
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C(C)C	REAL300020291275	1	61	-1.0	-42.94	454.68	8.94	-34.00
CCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C(C)C	REAL300020291276	0	58	-1.0	-44.63	433.79	8.28	-36.35
CCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C(C)C	REAL300020291276	1	58	-1.0	-44.67	433.85	8.31	-36.36
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCS(=O)(=O)C1	REAL300020291277	0	50	-1.0	-59.40	388.17	3.74	-55.66
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCS(=O)(=O)C1	REAL300020291277	1	50	-1.0	-59.45	388.21	3.75	-55.70
CC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291278	0	59	-1.0	-43.96	432.90	8.65	-35.31
CC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291278	1	59	-1.0	-43.99	432.95	8.67	-35.32
CC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291279	0	56	-1.0	-44.93	411.75	8.39	-36.54
CC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291279	1	56	-1.0	-44.94	411.79	8.42	-36.52
CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291280	0	50	-1.0	-46.14	400.63	7.35	-38.79
CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291280	1	50	-1.0	-46.15	400.69	7.38	-38.77
C(CC1=NN=C(N2CC3CCCC32)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291281	0	51	-1.0	-45.00	386.52	5.77	-39.23
C(CC1=NN=C(N2CC3CCCC32)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291281	1	51	-1.0	-45.01	386.58	5.79	-39.22
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCC32)N1CC1CCCCO1	REAL300020291282	0	48	-1.0	-47.69	359.43	5.46	-42.23
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCC32)N1CC1CCCCO1	REAL300020291282	1	48	-1.0	-47.68	359.49	5.48	-42.20
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291283	0	59	-1.0	-41.81	431.81	9.03	-32.78
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291283	1	59	-1.0	-41.79	431.87	9.04	-32.75
C#CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291284	0	48	-1.0	-39.38	379.01	6.97	-32.41
C#CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291284	1	48	-1.0	-39.41	379.07	6.98	-32.43
C#CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291285	0	45	-1.0	-45.32	362.58	6.19	-39.13
C#CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291285	1	45	-1.0	-45.29	362.52	6.17	-39.12
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291286	0	52	-1.0	-41.85	408.83	9.07	-32.78
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291286	1	52	-1.0	-41.87	408.85	9.08	-32.79
CC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291287	0	59	-1.0	-39.96	427.89	8.94	-31.02
CC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291287	1	59	-1.0	-39.93	427.94	8.95	-30.98
CC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291288	0	56	-1.0	-43.71	399.19	8.18	-35.53
CC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291288	1	56	-1.0	-43.71	399.24	8.21	-35.50
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291289	0	54	-1.0	-44.09	422.88	9.42	-34.67
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291289	1	54	-1.0	-44.08	422.93	9.44	-34.64
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291290	0	51	-1.0	-45.63	395.66	7.35	-38.28
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291290	1	51	-1.0	-45.59	395.60	7.33	-38.26
CN(CCCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291291	0	56	-1.0	-44.18	441.60	5.00	-39.18
CN(CCCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291291	1	56	-1.0	-44.15	441.65	5.01	-39.14
CN(CCCCCO)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291292	0	53	-1.0	-49.72	406.57	4.97	-44.75
CN(CCCCCO)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291292	1	53	-1.0	-49.69	406.55	5.00	-44.69
CC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291293	0	56	-1.0	-40.72	420.91	8.31	-32.41
CC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291293	1	56	-1.0	-40.72	420.96	8.33	-32.39
CC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291294	0	53	-1.0	-45.15	406.98	6.90	-38.25
CC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291294	1	53	-1.0	-45.09	407.04	6.92	-38.17
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291295	0	54	-1.0	-45.85	405.34	8.21	-37.64
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291295	1	54	-1.0	-45.83	405.28	8.20	-37.63
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291296	0	54	-1.0	-42.60	425.79	9.00	-33.60
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291296	1	54	-1.0	-42.61	425.85	9.02	-33.59
C=CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291297	0	51	-1.0	-43.79	404.75	7.48	-36.31
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291297	1	51	-1.0	-43.83	404.81	7.51	-36.32
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291298	0	54	-1.0	-45.97	436.77	8.48	-37.49
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291298	1	54	-1.0	-45.94	436.81	8.51	-37.43
CN1C=NN=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291299	0	53	-1.0	-49.87	419.43	8.27	-41.60
CN1C=NN=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291299	1	53	-1.0	-49.87	419.49	8.29	-41.58
C1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291300	0	51	-1.0	-45.73	391.66	11.20	-34.53
C1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291300	1	51	-1.0	-45.67	391.71	11.22	-34.45
C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291301	0	48	-1.0	-47.85	375.56	10.60	-37.25
C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291301	1	48	-1.0	-47.80	375.50	10.57	-37.23
CC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C=C1	REAL300020291302	0	53	-1.0	-41.74	421.39	10.26	-31.48
CC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C=C1	REAL300020291302	1	53	-1.0	-41.74	421.45	10.28	-31.46
CC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=C1	REAL300020291303	0	50	-1.0	-44.45	393.70	9.64	-34.81
CC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=C1	REAL300020291303	1	50	-1.0	-44.43	393.64	9.64	-34.79
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020291304	0	53	-1.0	-41.45	415.79	10.11	-31.34
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020291304	1	53	-1.0	-41.45	415.85	10.12	-31.33
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020291305	0	50	-1.0	-46.29	384.25	10.66	-35.63
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020291305	1	50	-1.0	-46.30	384.20	10.64	-35.66
CC1=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=CC(C)=C1	REAL300020291306	0	56	-1.0	-44.35	422.43	11.96	-32.39
CC1=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=CC(C)=C1	REAL300020291306	1	56	-1.0	-44.38	422.49	11.98	-32.40
CC1=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=CC(C)=C1	REAL300020291307	0	53	-1.0	-46.42	420.96	10.14	-36.28
CC1=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=CC(C)=C1	REAL300020291307	1	53	-1.0	-46.41	420.89	10.11	-36.30
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=C1C	REAL300020291308	0	56	-1.0	-47.17	425.10	12.06	-35.11
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=C1C	REAL300020291308	1	56	-1.0	-47.17	425.15	12.08	-35.09
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=C1C	REAL300020291309	0	53	-1.0	-46.44	409.33	11.50	-34.94
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=C1C	REAL300020291309	1	53	-1.0	-46.43	409.27	11.48	-34.95
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020291310	0	56	-1.0	-45.75	438.75	10.73	-35.02
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020291310	1	56	-1.0	-45.77	438.70	10.71	-35.06
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)CC2	REAL300020291311	0	54	-1.0	-51.03	413.33	11.67	-39.36
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)CC2	REAL300020291311	1	54	-1.0	-51.07	413.27	11.65	-39.42
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291312	0	54	-1.0	-45.82	413.04	11.87	-33.95
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291312	1	54	-1.0	-45.78	413.09	11.88	-33.90
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291313	0	51	-1.0	-50.72	390.63	11.44	-39.28
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291313	1	51	-1.0	-50.69	390.58	11.43	-39.26
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=C1	REAL300020291314	0	56	-1.0	-44.19	432.48	10.88	-33.31
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=C1	REAL300020291314	1	56	-1.0	-44.14	432.43	10.88	-33.26
C1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)CC21CC1	REAL300020291315	0	52	-1.0	-47.93	407.54	11.92	-36.01
C1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)CC21CC1	REAL300020291315	1	52	-1.0	-47.94	407.48	11.89	-36.05
OCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291316	0	57	-1.0	-50.46	428.41	5.91	-44.55
OCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291316	1	57	-1.0	-50.51	428.48	5.92	-44.59
FC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCC2=C1	REAL300020291317	0	51	-1.0	-41.64	413.90	8.65	-32.99
FC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCC2=C1	REAL300020291317	1	51	-1.0	-41.62	413.96	8.68	-32.94
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CC2=N1	REAL300020291318	0	53	-1.0	-42.45	422.94	7.13	-35.32
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CC2=N1	REAL300020291318	1	53	-1.0	-42.45	423.00	7.15	-35.30
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2=N1	REAL300020291319	0	50	-1.0	-43.08	403.60	6.25	-36.83
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2=N1	REAL300020291319	1	50	-1.0	-43.10	403.66	6.28	-36.82
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCC1	REAL300020291320	0	50	-1.0	-40.34	389.47	7.11	-33.23
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCC1	REAL300020291320	1	50	-1.0	-40.36	389.53	7.13	-33.23
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCC1	REAL300020291321	0	47	-1.0	-43.68	363.82	6.47	-37.21
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCC1	REAL300020291321	1	47	-1.0	-43.65	363.87	6.49	-37.16
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1)C1CCC1	REAL300020291322	0	54	-1.0	-44.68	425.77	9.41	-35.27
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1)C1CCC1	REAL300020291322	1	54	-1.0	-44.76	425.68	9.39	-35.37
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C2CCCCC12	REAL300020291323	0	57	-1.0	-44.81	423.27	8.37	-36.44
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C2CCCCC12	REAL300020291323	1	57	-1.0	-44.79	423.32	8.40	-36.39
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291324	0	59	-1.0	-52.20	421.52	9.57	-42.63
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291324	1	59	-1.0	-52.24	421.75	9.56	-42.68
CC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291325	0	51	-1.0	-40.48	399.16	7.89	-32.59
CC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291325	1	51	-1.0	-40.46	399.23	7.91	-32.55
CC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291326	0	48	-1.0	-43.25	380.06	7.10	-36.15
CC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291326	1	48	-1.0	-43.29	380.01	7.08	-36.21
CC1SCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1C	REAL300020291327	0	54	-1.0	-39.52	421.10	6.89	-32.63
CC1SCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1C	REAL300020291327	1	54	-1.0	-39.55	421.16	6.90	-32.65
CC1SCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1C	REAL300020291328	0	51	-1.0	-43.39	398.47	6.44	-36.95
CC1SCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1C	REAL300020291328	1	51	-1.0	-43.41	398.53	6.45	-36.96
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291329	0	53	-1.0	-40.51	411.63	7.93	-32.58
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291329	1	53	-1.0	-40.53	411.69	7.95	-32.58
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291330	0	50	-1.0	-42.30	395.58	7.37	-34.93
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291330	1	50	-1.0	-42.36	395.64	7.39	-34.97
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCC(C)(C)CC1	REAL300020291331	0	59	-1.0	-49.82	424.13	9.04	-40.78
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCC(C)(C)CC1	REAL300020291331	1	59	-1.0	-49.85	424.16	9.04	-40.81
C#CCN(CC#CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291332	0	50	-1.0	-43.40	406.62	8.79	-34.61
C#CCN(CC#CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291332	1	50	-1.0	-43.40	406.68	8.81	-34.59
C#CCN(CC#CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291333	0	47	-1.0	-44.28	390.12	7.77	-36.51
C#CCN(CC#CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291333	1	47	-1.0	-44.23	389.60	7.73	-36.50
CC1=C(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291334	0	54	-1.0	-43.58	408.15	7.83	-35.75
CC1=C(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291334	1	54	-1.0	-43.53	408.21	7.85	-35.68
CC1=C(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291335	0	51	-1.0	-45.14	386.71	7.04	-38.10
CC1=C(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291335	1	51	-1.0	-45.09	386.77	7.06	-38.03
CCN(CC1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291336	0	56	-1.0	-40.31	428.63	8.20	-32.11
CCN(CC1CCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291336	1	56	-1.0	-40.34	428.69	8.21	-32.13
CCN(CC1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291337	0	53	-1.0	-46.49	397.86	7.23	-39.26
CCN(CC1CCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291337	1	53	-1.0	-46.46	397.91	7.25	-39.21
C(CC1=NN=C(N2CC3C2C2CCC3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291338	0	55	-1.0	-44.52	398.17	7.05	-37.47
C(CC1=NN=C(N2CC3C2C2CCC3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291338	1	55	-1.0	-44.48	398.22	7.07	-37.41
C(C1=N[N-]N=N1)C1=NN=C(N2CC3C2C2CCC3C2)N1CC1CCCCO1	REAL300020291339	0	52	-1.0	-46.47	373.74	6.33	-40.14
C(C1=NN=N[N-]1)C1=NN=C(N2CC3C2C2CCC3C2)N1CC1CCCCO1	REAL300020291339	1	52	-1.0	-46.51	373.79	6.35	-40.16
CSCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291340	0	50	-1.0	-43.96	410.41	7.23	-36.73
CSCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291340	1	50	-1.0	-43.92	410.47	7.25	-36.67
CSCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291341	0	47	-1.0	-46.52	385.52	6.47	-40.05
CSCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291341	1	47	-1.0	-46.51	385.58	6.49	-40.02
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291342	0	59	-1.0	-42.76	430.78	9.46	-33.30
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291342	1	59	-1.0	-42.79	430.84	9.47	-33.32
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291343	0	56	-1.0	-43.17	415.55	8.56	-34.61
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291343	1	56	-1.0	-43.18	415.61	8.58	-34.60
CSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291344	0	54	-1.0	-44.33	420.02	8.42	-35.91
CSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291344	1	54	-1.0	-44.32	420.07	8.44	-35.88
CC1(C)CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291345	0	59	-1.0	-42.31	430.08	9.95	-32.36
CC1(C)CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291345	1	59	-1.0	-42.36	430.14	9.96	-32.40
CC1(C)CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291346	0	56	-1.0	-44.15	411.21	9.09	-35.06
CC1(C)CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291346	1	56	-1.0	-44.10	411.26	9.11	-34.99
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCCO2)N1CC1CCCCO1	REAL300020291347	0	55	-1.0	-43.92	411.55	5.95	-37.97
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2CCCO2)N1CC1CCCCO1	REAL300020291347	1	55	-1.0	-43.94	411.61	5.96	-37.98
CC(C)(C)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291348	0	57	-1.0	-47.20	411.98	9.05	-38.15
CC(C)(C)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291348	1	57	-1.0	-47.18	412.01	9.05	-38.13
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CCCCO1	REAL300020291349	0	57	0.0	-63.31	423.06	8.72	-54.59
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CCCCO1	REAL300020291349	1	57	0.0	-68.03	417.74	9.09	-58.94
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1CC1CCCCO1	REAL300020291349	1	57	0.0	-63.34	423.09	8.76	-54.58
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1CC1CCCCO1	REAL300020291349	1	57	0.0	-67.99	417.84	9.11	-58.88
C(CC1=NN=C(N2CCCC2C2CCC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291350	0	57	-1.0	-45.97	410.87	7.62	-38.35
C(CC1=NN=C(N2CCCC2C2CCC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291350	1	57	-1.0	-45.97	410.93	7.63	-38.34
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCC2)N1CC1CCCCO1	REAL300020291351	0	54	-1.0	-45.88	403.08	7.29	-38.59
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2CCC2)N1CC1CCCCO1	REAL300020291351	1	54	-1.0	-45.87	403.13	7.31	-38.56
C=CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CC1	REAL300020291352	0	51	-1.0	-42.13	391.47	7.03	-35.10
C=CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CC1	REAL300020291352	1	51	-1.0	-42.09	391.53	7.05	-35.04
C=CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CC1	REAL300020291353	0	48	-1.0	-45.90	369.45	7.30	-38.60
C=CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CC1	REAL300020291353	1	48	-1.0	-45.84	369.40	7.28	-38.56
COCC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291354	0	57	-1.0	-43.51	432.73	7.26	-36.25
COCC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291354	1	57	-1.0	-43.47	432.78	7.29	-36.18
CCC1C(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291355	0	56	-1.0	-44.40	412.71	7.80	-36.60
CCC1C(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291355	1	56	-1.0	-44.42	412.87	7.81	-36.61
CCC1C(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291356	0	53	-1.0	-42.97	398.68	6.61	-36.36
CCC1C(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291356	1	53	-1.0	-42.92	398.74	6.64	-36.28
COCC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291357	0	55	-1.0	-41.03	435.07	7.08	-33.95
COCC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291357	1	55	-1.0	-41.03	435.13	7.09	-33.94
COCC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291358	0	52	-1.0	-43.95	411.68	6.38	-37.57
COCC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291358	1	52	-1.0	-43.94	411.74	6.41	-37.53
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1C	REAL300020291359	0	56	-1.0	-42.71	419.06	7.97	-34.74
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1C	REAL300020291359	1	56	-1.0	-42.72	419.12	7.98	-34.74
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1C	REAL300020291360	0	53	-1.0	-45.05	400.90	6.96	-38.09
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1C	REAL300020291360	1	53	-1.0	-45.04	400.96	6.98	-38.06
CSCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291361	0	53	-1.0	-42.40	431.91	8.02	-34.38
CSCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291361	1	53	-1.0	-42.40	431.97	8.03	-34.37
CSCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291362	0	50	-1.0	-47.73	396.88	7.99	-39.74
CSCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291362	1	50	-1.0	-47.76	396.87	8.02	-39.74
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCCC2=C1	REAL300020291363	0	54	-1.0	-44.33	415.66	9.34	-34.99
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCCC2=C1	REAL300020291363	1	54	-1.0	-44.32	415.61	9.31	-35.01
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCOC1	REAL300020291364	0	51	-1.0	-43.79	400.20	4.79	-39.00
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCOC1	REAL300020291364	1	51	-1.0	-43.76	400.26	4.81	-38.95
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCOC1	REAL300020291365	0	48	-1.0	-51.63	367.18	4.83	-46.80
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCOC1	REAL300020291365	1	48	-1.0	-51.63	367.22	4.85	-46.78
CC(CC#N)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291366	0	50	-1.0	-42.13	390.43	6.46	-35.67
CC(CC#N)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291366	1	50	-1.0	-42.19	390.49	6.47	-35.72
CC(CC#N)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291367	0	47	-1.0	-45.83	368.61	5.57	-40.26
CC(CC#N)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291367	1	47	-1.0	-45.81	368.67	5.59	-40.22
N#CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291368	0	54	-1.0	-49.38	432.32	8.90	-40.48
N#CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291368	1	54	-1.0	-49.43	432.38	8.91	-40.52
N#CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291369	0	51	-1.0	-42.86	411.16	7.24	-35.62
N#CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291369	1	51	-1.0	-42.90	411.22	7.27	-35.63
COCCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291370	0	54	-1.0	-43.42	421.26	6.07	-37.35
COCCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291370	1	54	-1.0	-43.42	421.32	6.08	-37.34
COCCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291371	0	51	-1.0	-43.95	409.35	5.28	-38.67
COCCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291371	1	51	-1.0	-43.93	409.40	5.30	-38.63
CC(C)CCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291372	0	56	-1.0	-47.85	427.13	8.30	-39.55
CC(C)CCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291372	1	56	-1.0	-47.81	427.03	8.33	-39.48
O=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCN1	REAL300020291373	0	51	-1.0	-41.10	387.10	4.05	-37.05
O=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCN1	REAL300020291373	1	51	-1.0	-41.12	387.15	4.06	-37.06
O=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCN1	REAL300020291374	0	48	-1.0	-48.30	362.71	3.11	-45.19
O=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCN1	REAL300020291374	1	48	-1.0	-48.31	362.75	3.14	-45.17
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020291375	0	54	-1.0	-43.61	423.54	9.22	-34.39
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020291375	1	54	-1.0	-43.58	423.59	9.25	-34.33
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291376	0	50	-1.0	-43.39	412.21	7.28	-36.11
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291376	1	50	-1.0	-43.39	412.26	7.30	-36.09
C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291377	0	48	-1.0	-43.15	363.47	7.13	-36.02
C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291377	1	48	-1.0	-43.16	363.51	7.15	-36.01
C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291378	0	45	-1.0	-43.86	352.22	6.29	-37.57
C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291378	1	45	-1.0	-43.84	352.17	6.26	-37.58
C1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCCCO2)CC1	REAL300020291379	0	52	-1.0	-44.10	395.51	9.26	-34.84
C1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCCCO2)CC1	REAL300020291379	1	52	-1.0	-44.08	395.55	9.24	-34.84
CCC(CC)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291380	0	61	-1.0	-43.63	453.01	9.06	-34.57
CCC(CC)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291380	1	61	-1.0	-43.64	453.06	9.08	-34.56
CCC(CC)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291381	0	58	-1.0	-48.60	426.65	8.99	-39.61
CCC(CC)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291381	1	58	-1.0	-48.55	426.69	9.00	-39.55
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CC1	REAL300020291382	0	59	-1.0	-40.37	450.16	8.56	-31.81
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CC1	REAL300020291382	1	59	-1.0	-40.33	450.22	8.58	-31.75
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CC1	REAL300020291383	0	56	-1.0	-44.58	434.11	8.56	-36.02
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CC1	REAL300020291383	1	56	-1.0	-44.58	434.17	8.58	-36.00
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291384	0	54	-1.0	-49.94	420.76	10.40	-39.54
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291384	1	54	-1.0	-49.92	420.71	10.39	-39.53
COCCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291385	0	59	-1.0	-47.54	445.07	6.77	-40.77
COCCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291385	1	59	-1.0	-47.55	445.13	6.79	-40.76
COCCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291386	0	56	-1.0	-49.75	420.06	6.83	-42.92
COCCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291386	1	56	-1.0	-49.77	420.15	6.84	-42.93
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCC1	REAL300020291387	0	59	-1.0	-47.14	421.51	7.49	-39.65
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCC1	REAL300020291387	1	59	-1.0	-47.20	421.57	7.54	-39.66
CC1COCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291388	0	51	-1.0	-41.39	398.98	5.11	-36.28
CC1COCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291388	1	51	-1.0	-41.37	399.03	5.12	-36.25
CC1COCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291389	0	48	-1.0	-45.20	373.61	3.90	-41.30
CC1COCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291389	1	48	-1.0	-45.19	373.67	3.92	-41.27
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C(C)C	REAL300020291390	0	58	-1.0	-42.78	431.61	8.36	-34.42
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C(C)C	REAL300020291390	1	58	-1.0	-42.77	431.67	8.37	-34.40
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C(C)C	REAL300020291391	0	55	-1.0	-46.62	409.15	7.19	-39.43
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C(C)C	REAL300020291391	1	55	-1.0	-46.62	409.21	7.22	-39.40
CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291392	0	55	-1.0	-44.90	412.58	7.79	-37.11
CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291392	1	55	-1.0	-44.85	412.64	7.81	-37.04
CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291393	0	52	-1.0	-48.71	390.72	7.67	-41.04
CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291393	1	52	-1.0	-48.70	390.87	7.69	-41.01
CCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291394	0	55	-1.0	-42.97	419.27	7.13	-35.84
CCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291394	1	55	-1.0	-42.98	419.32	7.14	-35.84
CCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291395	0	52	-1.0	-45.91	381.23	7.96	-37.95
CCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291395	1	52	-1.0	-45.94	381.29	7.97	-37.97
OC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020291396	0	52	-1.0	-48.10	408.98	5.58	-42.52
OC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020291396	1	52	-1.0	-48.16	409.04	5.61	-42.55
CN(CC1=CC=CC=C1O)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291397	0	54	-1.0	-46.02	424.29	6.53	-39.49
CN(CC1=CC=CC=C1O)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291397	1	54	-1.0	-46.08	424.34	6.54	-39.54
CN(CC1=CC=CC=C1O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291398	0	51	-1.0	-45.79	408.14	5.61	-40.18
CN(CC1=CC=CC=C1O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291398	1	51	-1.0	-45.80	408.20	5.64	-40.16
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291399	0	56	-1.0	-47.92	433.16	9.12	-38.80
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291399	1	56	-1.0	-47.93	433.22	9.14	-38.79
COCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291400	0	57	-1.0	-46.69	444.68	4.52	-42.17
COCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291400	1	57	-1.0	-46.65	444.73	4.55	-42.10
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291401	0	57	-1.0	-43.69	436.28	6.34	-37.35
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291401	1	57	-1.0	-43.71	436.34	6.35	-37.36
C[C@H]1COC(C)(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291402	0	54	-1.0	-45.00	410.27	5.45	-39.55
C[C@H]1COC(C)(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291402	1	54	-1.0	-45.01	410.33	5.47	-39.54
CC1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291403	0	51	-1.0	-40.54	399.43	7.91	-32.63
CC1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291403	1	51	-1.0	-40.51	399.49	7.93	-32.58
CC1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291404	0	48	-1.0	-43.42	380.32	7.12	-36.30
CC1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291404	1	48	-1.0	-43.44	380.26	7.10	-36.34
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291405	0	57	-1.0	-46.26	410.74	6.08	-40.18
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291405	1	57	-1.0	-46.30	410.80	6.11	-40.19
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CC2)CC2CCC2)N1CC1CCCCO1	REAL300020291406	0	57	-1.0	-44.66	429.54	8.44	-36.22
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CC2)CC2CCC2)N1CC1CCCCO1	REAL300020291406	1	57	-1.0	-44.69	429.59	8.47	-36.22
FC(F)O[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291407	0	51	-1.0	-46.18	403.25	6.15	-40.03
FC(F)O[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291407	1	51	-1.0	-46.11	403.31	6.16	-39.95
FC(F)O[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291408	0	48	-1.0	-43.36	394.35	5.01	-38.35
FC(F)O[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291408	1	48	-1.0	-43.33	394.41	5.04	-38.29
C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CCC2=C1	REAL300020291409	0	54	-1.0	-40.92	424.63	9.49	-31.43
C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CCC2=C1	REAL300020291409	1	54	-1.0	-40.91	424.69	9.50	-31.41
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCC2=C1	REAL300020291410	0	51	-1.0	-43.60	405.66	8.70	-34.90
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCC2=C1	REAL300020291410	1	51	-1.0	-43.63	405.60	8.67	-34.96
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCS(=O)(=O)C1	REAL300020291411	0	50	-1.0	-59.40	388.17	3.74	-55.66
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCS(=O)(=O)C1	REAL300020291411	1	50	-1.0	-59.45	388.21	3.75	-55.70
CCCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291412	0	55	-1.0	-41.18	421.44	7.40	-33.78
CCCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291412	1	55	-1.0	-41.17	421.50	7.41	-33.76
CCCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291413	0	52	-1.0	-44.90	407.16	7.30	-37.60
CCCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291413	1	52	-1.0	-44.90	407.22	7.32	-37.58
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291414	0	51	-1.0	-41.01	402.35	7.01	-34.00
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291414	1	51	-1.0	-40.96	402.41	7.01	-33.95
C=CCN(CC=C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291415	0	48	-1.0	-43.14	386.80	7.33	-35.81
C=CCN(CC=C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291415	1	48	-1.0	-43.11	386.75	7.30	-35.81
COCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291416	0	57	-1.0	-41.96	448.83	4.86	-37.10
COCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291416	1	57	-1.0	-41.96	448.89	4.88	-37.08
COCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291417	0	54	-1.0	-48.34	418.95	3.50	-44.84
COCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291417	1	54	-1.0	-48.36	419.01	3.52	-44.84
OCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291418	0	54	-1.0	-49.92	413.00	5.42	-44.50
OCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291418	1	54	-1.0	-49.89	413.05	5.43	-44.46
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCCC1	REAL300020291419	0	59	-1.0	-40.99	426.99	9.07	-31.92
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCCC1	REAL300020291419	1	59	-1.0	-40.94	427.05	9.08	-31.86
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCCC1	REAL300020291420	0	56	-1.0	-46.36	400.17	8.26	-38.10
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCCC1	REAL300020291420	1	56	-1.0	-46.36	400.23	8.28	-38.08
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291421	0	56	-1.0	-41.25	437.51	8.95	-32.30
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291421	1	56	-1.0	-41.24	437.57	8.97	-32.27
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291422	0	53	-1.0	-43.42	415.46	8.17	-35.25
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291422	1	53	-1.0	-43.45	415.41	8.14	-35.31
C(CC1=NN=C(N2CCCCCCC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291423	0	56	-1.0	-39.86	408.60	9.28	-30.58
C(CC1=NN=C(N2CCCCCCC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291423	1	56	-1.0	-39.86	408.66	9.29	-30.57
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCC2)N1CC1CCCCO1	REAL300020291424	0	53	-1.0	-46.64	382.19	9.30	-37.34
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCC2)N1CC1CCCCO1	REAL300020291424	1	53	-1.0	-46.68	382.25	9.29	-37.39
CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291425	0	55	-1.0	-43.65	418.73	7.60	-36.05
CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291425	1	55	-1.0	-43.62	418.79	7.62	-36.00
CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291426	0	52	-1.0	-44.81	403.71	7.19	-37.62
CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291426	1	52	-1.0	-44.85	403.77	7.20	-37.65
CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291427	0	56	-1.0	-41.05	425.99	8.32	-32.73
CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291427	1	56	-1.0	-41.04	426.05	8.34	-32.70
CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291428	0	53	-1.0	-42.82	420.03	7.89	-34.93
CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291428	1	53	-1.0	-42.82	420.08	7.91	-34.91
C=C(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291429	0	53	-1.0	-44.53	406.79	8.38	-36.15
C=C(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291429	1	53	-1.0	-44.58	406.85	8.39	-36.19
C=C(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291430	0	50	-1.0	-48.43	385.89	7.97	-40.46
C=C(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291430	1	50	-1.0	-48.45	385.80	7.97	-40.48
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291431	0	52	-1.0	-63.14	412.03	3.66	-59.48
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291431	1	52	-1.0	-63.12	412.08	3.69	-59.43
CCN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291432	0	56	-1.0	-40.40	438.33	8.93	-31.47
CCN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291432	1	56	-1.0	-40.41	438.39	8.94	-31.47
CCN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291433	0	53	-1.0	-46.37	404.75	7.72	-38.65
CCN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291433	1	53	-1.0	-46.35	404.81	7.74	-38.61
CSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291434	0	56	-1.0	-42.95	442.50	7.58	-35.37
CSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291434	1	56	-1.0	-42.96	442.55	7.59	-35.37
CSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291435	0	53	-1.0	-48.27	400.46	8.29	-39.98
CSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291435	1	53	-1.0	-48.28	400.51	8.31	-39.97
CN(CC1=NOC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291436	0	49	-1.0	-46.95	391.74	6.53	-40.42
CN(CC1=NOC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291436	1	49	-1.0	-46.98	391.80	6.55	-40.43
CN(CC1=NOC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291437	0	46	-1.0	-50.25	369.76	5.69	-44.56
CN(CC1=NOC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291437	1	46	-1.0	-50.24	369.82	5.72	-44.52
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291438	0	59	0.0	-64.49	430.65	8.09	-56.40
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291438	1	59	0.0	-64.85	430.39	8.15	-56.70
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291438	1	59	0.0	-64.47	430.71	8.11	-56.36
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291438	1	59	0.0	-64.87	430.45	8.17	-56.70
CC1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291439	0	53	-1.0	-44.17	404.70	8.10	-36.07
CC1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291439	1	53	-1.0	-44.19	404.76	8.11	-36.08
CC1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291440	0	50	-1.0	-47.45	372.48	6.68	-40.77
CC1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291440	1	50	-1.0	-47.46	372.53	6.70	-40.76
C1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C2CC2)C=C1	REAL300020291441	0	54	-1.0	-44.61	421.47	8.98	-35.63
C1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C2CC2)C=C1	REAL300020291441	1	54	-1.0	-44.57	421.40	8.96	-35.61
FC(F)(F)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291442	0	48	-1.0	-41.59	397.61	7.44	-34.15
FC(F)(F)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291442	1	48	-1.0	-41.57	397.67	7.47	-34.10
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291443	0	54	-1.0	-47.55	406.00	5.73	-41.82
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291443	1	54	-1.0	-47.57	406.07	5.75	-41.82
CC1CN(C)C(=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291444	0	51	-1.0	-48.82	396.48	4.56	-44.26
CC1CN(C)C(=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291444	1	51	-1.0	-48.81	396.54	4.59	-44.22
C(CC1=NN=C(N(CC2CC2)C2CCC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291445	0	57	-1.0	-43.18	429.25	9.87	-33.31
C(CC1=NN=C(N(CC2CC2)C2CCC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291445	1	57	-1.0	-43.15	429.32	9.89	-33.26
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CC2)C2CCC2)N1CC1CCCCO1	REAL300020291446	0	54	-1.0	-46.07	404.59	8.06	-38.01
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CC2)C2CCC2)N1CC1CCCCO1	REAL300020291446	1	54	-1.0	-46.09	404.65	8.07	-38.02
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291447	0	54	-1.0	-41.04	418.83	6.23	-34.81
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291447	1	54	-1.0	-41.05	418.88	6.25	-34.80
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291448	0	51	-1.0	-43.30	401.54	5.55	-37.75
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291448	1	51	-1.0	-43.32	401.62	5.57	-37.75
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291449	0	58	-1.0	-44.72	434.53	9.22	-35.50
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291449	1	58	-1.0	-44.73	434.58	9.23	-35.50
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291450	0	55	-1.0	-49.08	410.84	8.81	-40.27
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291450	1	55	-1.0	-49.03	410.87	8.82	-40.21
CC(C)CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291451	0	59	-1.0	-45.90	440.53	8.32	-37.58
CC(C)CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291451	1	59	-1.0	-45.89	440.58	8.34	-37.55
CCN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291452	0	57	-1.0	-42.95	430.94	6.12	-36.83
CCN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291452	1	57	-1.0	-43.00	431.00	6.13	-36.87
CCN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291453	0	54	-1.0	-43.92	420.29	6.13	-37.79
CCN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291453	1	54	-1.0	-43.97	420.35	6.15	-37.82
C(CC1=NN=C(N2CC3CCC2C3)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291454	0	51	-1.0	-41.55	383.12	7.57	-33.98
C(CC1=NN=C(N2CC3CCC2C3)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291454	1	51	-1.0	-41.51	383.17	7.59	-33.92
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC2C3)N1CC1CCCCO1	REAL300020291455	0	48	-1.0	-47.09	360.37	6.09	-41.00
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC2C3)N1CC1CCCCO1	REAL300020291455	1	48	-1.0	-47.06	360.42	6.11	-40.95
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CC2=CC=CC=C2C1	REAL300020291456	0	54	-1.0	-52.65	415.06	9.91	-42.74
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CC2=CC=CC=C2C1	REAL300020291456	1	54	-1.0	-52.69	415.09	9.92	-42.77
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291457	0	53	-1.0	-45.72	419.83	5.94	-39.78
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291457	1	53	-1.0	-45.69	419.77	5.91	-39.78
C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020291458	0	51	-1.0	-44.04	403.94	8.57	-35.47
C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020291458	1	51	-1.0	-44.03	404.00	8.58	-35.45
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020291459	0	48	-1.0	-49.28	373.19	8.12	-41.16
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020291459	1	48	-1.0	-49.30	373.14	8.12	-41.18
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291460	0	54	-1.0	-45.39	424.22	6.25	-39.14
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291460	1	54	-1.0	-45.33	424.28	6.27	-39.06
CCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291461	0	59	-1.0	-45.19	449.87	6.70	-38.49
CCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291461	1	59	-1.0	-45.25	449.93	6.71	-38.54
CCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291462	0	56	-1.0	-47.03	424.19	6.26	-40.77
CCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291462	1	56	-1.0	-47.03	424.24	6.27	-40.76
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291463	0	54	-1.0	-49.65	416.03	5.17	-44.48
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291463	1	54	-1.0	-49.62	416.09	5.19	-44.43
CC1C(=O)N(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291464	0	51	-1.0	-52.69	389.04	4.35	-48.34
CC1C(=O)N(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291464	1	51	-1.0	-52.72	389.10	4.36	-48.36
CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291465	0	53	-1.0	-45.11	379.65	6.29	-38.82
CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291465	1	53	-1.0	-45.11	379.69	6.30	-38.81
CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291466	0	50	-1.0	-44.91	381.57	5.66	-39.25
CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291466	1	50	-1.0	-44.92	381.63	5.68	-39.24
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291467	0	53	-1.0	-40.51	411.63	7.93	-32.58
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291467	1	53	-1.0	-40.53	411.69	7.95	-32.58
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291468	0	50	-1.0	-42.30	395.58	7.37	-34.93
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291468	1	50	-1.0	-42.36	395.64	7.39	-34.97
OCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CC1	REAL300020291469	0	57	-1.0	-43.09	444.19	4.71	-38.38
OCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CC1	REAL300020291469	1	57	-1.0	-43.08	444.25	4.72	-38.36
OCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CC1	REAL300020291470	0	54	-1.0	-47.13	426.06	5.07	-42.06
OCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CC1	REAL300020291470	1	54	-1.0	-47.17	426.12	5.08	-42.09
FC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020291471	0	51	-1.0	-45.83	404.37	8.51	-37.32
FC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020291471	1	51	-1.0	-45.86	404.43	8.54	-37.32
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291472	0	52	-1.0	-47.70	395.64	5.45	-42.25
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291472	1	52	-1.0	-47.69	395.69	5.45	-42.24
C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCC2=C1	REAL300020291473	0	54	-1.0	-43.61	407.52	8.96	-34.65
C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCC2=C1	REAL300020291473	1	54	-1.0	-43.64	407.58	8.98	-34.66
CC1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291474	0	51	-1.0	-39.42	401.96	7.19	-32.23
CC1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291474	1	51	-1.0	-39.41	402.02	7.20	-32.21
CC1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291475	0	48	-1.0	-43.39	381.52	5.87	-37.52
CC1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291475	1	48	-1.0	-43.38	382.02	5.84	-37.54
C(CC1=NN=C(N2CCCC3CCCC32)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291476	0	57	-1.0	-41.70	428.65	8.89	-32.81
C(CC1=NN=C(N2CCCC3CCCC32)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291476	1	57	-1.0	-41.71	428.70	8.90	-32.81
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3CCCC32)N1CC1CCCCO1	REAL300020291477	0	54	-1.0	-43.24	407.29	8.13	-35.11
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3CCCC32)N1CC1CCCCO1	REAL300020291477	1	54	-1.0	-43.26	407.33	8.14	-35.12
C#CCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291478	0	48	-1.0	-42.12	387.76	6.83	-35.29
C#CCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291478	1	48	-1.0	-42.12	387.82	6.84	-35.28
C#CCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291479	0	45	-1.0	-43.49	366.54	5.98	-37.51
C#CCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291479	1	45	-1.0	-43.46	366.48	5.95	-37.51
C#CCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291480	0	52	-1.0	-43.63	414.67	8.60	-35.03
C#CCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291480	1	52	-1.0	-43.66	414.69	8.61	-35.05
CCOCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291481	0	56	-1.0	-45.06	431.23	6.14	-38.92
CCOCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291481	1	56	-1.0	-45.05	431.29	6.15	-38.90
CCOCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291482	0	53	-1.0	-50.03	403.85	5.95	-44.08
CCOCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291482	1	53	-1.0	-50.00	403.91	5.95	-44.05
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCC1	REAL300020291483	0	56	-1.0	-40.92	411.16	7.72	-33.20
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCC1	REAL300020291483	1	56	-1.0	-40.92	411.21	7.73	-33.19
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCC1	REAL300020291484	0	53	-1.0	-45.44	402.78	6.81	-38.63
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCC1	REAL300020291484	1	53	-1.0	-45.44	402.83	6.83	-38.61
CC(C)NC(=O)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291485	0	56	-1.0	-43.79	436.85	5.71	-38.08
CC(C)NC(=O)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291485	1	56	-1.0	-43.75	436.91	5.72	-38.03
CC(C)NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291486	0	53	-1.0	-44.32	421.67	4.77	-39.55
CC(C)NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291486	1	53	-1.0	-44.38	421.72	4.80	-39.58
CC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291487	0	54	-1.0	-52.20	406.29	6.99	-45.21
CC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291487	1	54	-1.0	-52.17	406.31	6.99	-45.18
C1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=C1	REAL300020291488	0	54	-1.0	-45.85	424.94	9.81	-36.04
C1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=C1	REAL300020291488	1	54	-1.0	-45.82	424.89	9.78	-36.04
C1=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)S1	REAL300020291489	0	48	-1.0	-42.61	396.34	7.82	-34.79
C1=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)S1	REAL300020291489	1	48	-1.0	-42.57	396.40	7.85	-34.72
C(CC1=NN=C(N2CCC(C3CC3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291490	0	54	-1.0	-44.36	403.92	8.22	-36.14
C(CC1=NN=C(N2CCC(C3CC3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291490	1	54	-1.0	-44.33	403.97	8.23	-36.10
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CC3)C2)N1CC1CCCCO1	REAL300020291491	0	51	-1.0	-43.03	397.76	7.85	-35.18
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CC3)C2)N1CC1CCCCO1	REAL300020291491	1	51	-1.0	-42.99	397.82	7.87	-35.12
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCOC3)C2)N1CC1CCCCO1	REAL300020291492	0	55	-1.0	-44.07	425.04	6.22	-37.85
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCOC3)C2)N1CC1CCCCO1	REAL300020291492	1	55	-1.0	-44.10	425.09	6.24	-37.86
CCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291493	0	56	-1.0	-44.80	414.53	8.29	-36.51
CCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291493	1	56	-1.0	-44.83	414.59	8.31	-36.52
CCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291494	0	53	-1.0	-46.23	394.35	7.41	-38.82
CCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291494	1	53	-1.0	-46.25	394.41	7.43	-38.82
NC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291495	0	54	-1.0	-49.18	416.94	4.01	-45.17
NC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291495	1	54	-1.0	-49.16	417.00	4.03	-45.13
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)O1	REAL300020291496	0	55	-1.0	-42.45	431.83	5.04	-37.41
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)O1	REAL300020291496	1	55	-1.0	-42.49	431.88	5.07	-37.42
CN(CCC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291497	0	54	-1.0	-47.59	436.07	6.16	-41.43
CN(CCC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291497	1	54	-1.0	-47.54	436.13	6.17	-41.37
CN(CCC1=CN=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291498	0	51	-1.0	-54.88	400.96	6.14	-48.74
CN(CCC1=CN=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291498	1	51	-1.0	-54.89	401.06	6.14	-48.75
CC1(C(N)=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291499	0	54	-1.0	-55.84	401.02	3.21	-52.63
CC1(C(N)=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291499	1	54	-1.0	-55.89	401.07	3.23	-52.66
CC1(C(N)=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291500	0	51	-1.0	-58.67	385.44	2.49	-56.18
CC1(C(N)=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291500	1	51	-1.0	-58.66	385.50	2.51	-56.15
COC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291501	0	53	-1.0	-50.47	403.49	6.34	-44.13
COC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291501	1	53	-1.0	-50.43	403.55	6.37	-44.06
COCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291502	0	57	-1.0	-47.21	421.10	6.86	-40.35
COCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291502	1	57	-1.0	-47.20	421.15	6.88	-40.32
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(C2CC2)O1	REAL300020291503	0	55	-1.0	-46.00	404.55	7.31	-38.69
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(C2CC2)O1	REAL300020291503	1	55	-1.0	-45.97	404.60	7.32	-38.65
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C[C@H](C)O1	REAL300020291504	0	54	-1.0	-44.42	413.22	6.75	-37.67
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C[C@H](C)O1	REAL300020291504	1	54	-1.0	-44.40	413.29	6.77	-37.63
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C[C@H](C)O1	REAL300020291505	0	51	-1.0	-43.58	398.18	5.73	-37.85
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C[C@H](C)O1	REAL300020291505	1	51	-1.0	-43.59	398.24	5.75	-37.84
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)(C)O1	REAL300020291506	0	57	-1.0	-43.68	428.37	7.57	-36.11
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)(C)O1	REAL300020291506	1	57	-1.0	-43.68	428.43	7.58	-36.10
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)(C)O1	REAL300020291507	0	54	-1.0	-44.49	411.77	6.55	-37.94
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)(C)O1	REAL300020291507	1	54	-1.0	-44.53	411.83	6.57	-37.96
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C=C1	REAL300020291508	0	56	-1.0	-43.14	437.19	9.88	-33.26
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C=C1	REAL300020291508	1	56	-1.0	-43.17	437.25	9.90	-33.27
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=C1	REAL300020291509	0	53	-1.0	-42.95	422.57	8.95	-34.00
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=C1	REAL300020291509	1	53	-1.0	-42.94	422.63	8.97	-33.97
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)O1	REAL300020291510	0	57	-1.0	-40.25	435.83	7.15	-33.10
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)O1	REAL300020291510	1	57	-1.0	-40.27	435.89	7.16	-33.11
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)O1	REAL300020291511	0	54	-1.0	-42.10	423.95	6.42	-35.68
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)O1	REAL300020291511	1	54	-1.0	-42.08	424.00	6.44	-35.64
CN(CCC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291512	0	49	-1.0	-44.27	405.31	7.16	-37.11
CN(CCC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291512	1	49	-1.0	-44.30	405.37	7.17	-37.13
CN(CCC(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291513	0	46	-1.0	-50.01	370.26	7.15	-42.86
CN(CCC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291513	1	46	-1.0	-50.00	370.27	7.16	-42.84
CN(CC1=CSC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291514	0	49	-1.0	-43.77	403.96	6.45	-37.32
CN(CC1=CSC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291514	1	49	-1.0	-43.83	404.01	6.46	-37.37
CN(CC1=CSC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291515	0	46	-1.0	-44.98	382.47	5.66	-39.32
CN(CC1=CSC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291515	1	46	-1.0	-45.01	382.52	5.69	-39.32
CC(C)(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291516	0	59	-1.0	-43.66	434.86	8.70	-34.96
CC(C)(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291516	1	59	-1.0	-43.71	434.92	8.72	-34.99
CC(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291517	0	56	-1.0	-44.45	416.46	8.03	-36.42
CC(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291517	1	56	-1.0	-44.47	416.52	8.05	-36.42
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020291518	0	59	-1.0	-43.73	416.55	8.68	-35.05
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020291518	1	59	-1.0	-43.72	416.61	8.70	-35.02
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020291519	0	56	-1.0	-42.21	419.67	8.20	-34.01
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020291519	1	56	-1.0	-42.20	419.73	8.23	-33.97
C(CC1=NN=C(N2CCCC3(CC3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291520	0	54	-1.0	-42.94	415.55	8.73	-34.21
C(CC1=NN=C(N2CCCC3(CC3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291520	1	54	-1.0	-42.94	415.61	8.74	-34.20
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CC3)C2)N1CC1CCCCO1	REAL300020291521	0	51	-1.0	-44.74	396.28	7.98	-36.76
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CC3)C2)N1CC1CCCCO1	REAL300020291521	1	51	-1.0	-44.73	396.34	8.01	-36.72
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291522	0	59	-1.0	-43.36	427.52	8.52	-34.84
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291522	1	59	-1.0	-43.37	427.57	8.54	-34.83
CC(C)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291523	0	59	-1.0	-44.36	424.90	8.39	-35.97
CC(C)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291523	1	59	-1.0	-44.35	424.96	8.42	-35.93
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291524	0	59	-1.0	-43.76	442.84	9.27	-34.49
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291524	1	59	-1.0	-43.76	442.90	9.28	-34.48
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291525	0	56	-1.0	-46.38	419.29	8.40	-37.98
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291525	1	56	-1.0	-46.41	419.35	8.42	-37.99
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291526	0	54	-1.0	-43.82	416.27	6.39	-37.43
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291526	1	54	-1.0	-43.83	416.33	6.40	-37.43
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291527	0	51	-1.0	-46.02	392.71	5.52	-40.50
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291527	1	51	-1.0	-46.03	392.77	5.54	-40.49
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291528	0	59	-1.0	-44.21	429.47	8.80	-35.41
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291528	1	59	-1.0	-44.20	429.53	8.81	-35.39
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291529	0	56	-1.0	-44.09	414.51	8.39	-35.70
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291529	1	56	-1.0	-44.15	414.56	8.41	-35.74
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291530	0	54	-1.0	-42.52	417.62	8.58	-33.94
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291530	1	54	-1.0	-42.47	417.67	8.59	-33.88
C=CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291531	0	51	-1.0	-48.13	389.91	8.37	-39.76
C=CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291531	1	51	-1.0	-48.14	389.97	8.37	-39.77
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291532	0	49	-1.0	-42.45	387.18	6.78	-35.67
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291532	1	49	-1.0	-42.47	387.23	6.79	-35.68
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291533	0	46	-1.0	-42.90	363.51	6.11	-36.79
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291533	1	46	-1.0	-42.99	363.57	6.13	-36.86
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291534	0	53	-1.0	-44.40	408.91	9.28	-35.12
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291534	1	53	-1.0	-44.35	408.94	9.27	-35.08
C(CC1=NN=C(N2CCN(C3CC3)CC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291535	0	56	-1.0	-40.01	432.22	6.10	-33.91
C(CC1=NN=C(N2CCN(C3CC3)CC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291535	1	56	-1.0	-40.05	432.28	6.12	-33.93
C(CC1=NN=C(N2CC[NH+](C3CC3)CC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291535	1	57	0.0	-62.62	434.63	8.68	-53.94
C(C1=N[N-]N=N1)C1=NN=C(N2CCN(C3CC3)CC2)N1CC1CCCCO1	REAL300020291536	0	53	-1.0	-44.03	403.86	5.55	-38.48
C(C1=NN=N[N-]1)C1=NN=C(N2CCN(C3CC3)CC2)N1CC1CCCCO1	REAL300020291536	1	53	-1.0	-44.02	403.92	5.57	-38.45
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CC3)CC2)N1CC1CCCCO1	REAL300020291536	1	54	0.0	-64.09	409.66	7.49	-56.60
CN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291537	0	54	-1.0	-41.17	424.22	6.33	-34.84
CN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291537	1	54	-1.0	-41.12	424.27	6.34	-34.78
CN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291538	0	51	-1.0	-50.91	389.20	6.22	-44.69
CN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291538	1	51	-1.0	-50.86	389.23	6.23	-44.63
FC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291539	0	50	-1.0	-40.54	402.44	7.43	-33.11
FC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291539	1	50	-1.0	-40.55	402.50	7.45	-33.10
FC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291540	0	47	-1.0	-44.68	372.48	6.89	-37.79
FC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291540	1	47	-1.0	-44.68	372.54	6.92	-37.76
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020291541	0	56	-1.0	-43.54	436.78	9.92	-33.62
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020291541	1	56	-1.0	-43.53	436.84	9.94	-33.59
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020291542	0	53	-1.0	-43.65	418.48	9.05	-34.60
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020291542	1	53	-1.0	-43.64	418.54	9.07	-34.57
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291543	0	51	-1.0	-46.05	418.00	8.76	-37.29
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291543	1	51	-1.0	-46.01	418.06	8.79	-37.22
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291544	0	51	-1.0	-43.73	422.00	8.67	-35.06
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291544	1	51	-1.0	-43.77	422.06	8.69	-35.08
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)(C)C1	REAL300020291545	0	59	-1.0	-42.29	443.79	8.66	-33.63
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)(C)C1	REAL300020291545	1	59	-1.0	-42.28	443.85	8.69	-33.59
CC(C)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291546	0	59	-1.0	-44.83	441.70	9.30	-35.53
CC(C)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291546	1	59	-1.0	-44.85	441.75	9.32	-35.53
CCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291547	0	52	-1.0	-43.80	397.23	6.82	-36.98
CCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291547	1	52	-1.0	-43.79	397.29	6.84	-36.95
CCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291548	0	49	-1.0	-44.92	382.22	6.41	-38.51
CCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291548	1	49	-1.0	-44.91	382.27	6.42	-38.49
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291549	0	56	-1.0	-43.69	429.53	9.27	-34.42
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291549	1	56	-1.0	-43.63	429.56	9.25	-34.38
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C[C@@H]1OC	REAL300020291550	0	55	-1.0	-47.48	429.80	5.62	-41.86
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C[C@@H]1OC	REAL300020291550	1	55	-1.0	-47.50	429.86	5.64	-41.86
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C[C@@H]1OC	REAL300020291551	0	52	-1.0	-48.56	404.85	4.82	-43.74
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C[C@@H]1OC	REAL300020291551	1	52	-1.0	-48.56	404.91	4.84	-43.72
CN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291552	0	59	-1.0	-40.04	454.24	7.52	-32.52
CN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291552	1	59	-1.0	-40.02	454.30	7.54	-32.48
CN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291553	0	56	-1.0	-50.13	420.28	7.19	-42.94
CN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291553	1	56	-1.0	-50.13	420.26	7.21	-42.92
CNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291554	0	54	-1.0	-56.58	420.29	4.79	-51.79
CNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291554	1	54	-1.0	-56.59	420.35	4.81	-51.78
CNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291555	0	53	-1.0	-48.76	417.44	4.32	-44.44
CNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291555	1	53	-1.0	-48.72	417.50	4.34	-44.38
CNC(=O)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291556	0	56	-1.0	-46.95	446.79	5.11	-41.84
CNC(=O)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291556	1	56	-1.0	-46.94	446.85	5.13	-41.81
CNC(=O)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291557	0	53	-1.0	-51.72	411.76	5.09	-46.63
CNC(=O)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291557	1	53	-1.0	-51.71	411.75	5.11	-46.60
CNC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291558	0	54	-1.0	-58.96	407.37	4.05	-54.91
CNC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291558	1	54	-1.0	-58.91	407.43	4.07	-54.84
CNC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291559	0	52	-1.0	-53.05	407.98	4.22	-48.83
CNC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291559	1	52	-1.0	-53.04	408.04	4.23	-48.81
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291560	0	56	-1.0	-48.23	435.73	5.39	-42.84
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291560	1	56	-1.0	-48.20	435.79	5.40	-42.80
CNC(=O)C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291561	0	53	-1.0	-52.55	419.99	4.55	-48.00
CNC(=O)C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291561	1	53	-1.0	-52.58	420.05	4.58	-48.00
O=C1NCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCN12	REAL300020291562	0	51	-1.0	-49.81	377.51	3.45	-46.36
O=C1NCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCN12	REAL300020291562	1	51	-1.0	-49.79	377.56	3.45	-46.34
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291563	0	56	-1.0	-45.72	441.44	5.07	-40.65
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291563	1	56	-1.0	-45.70	441.49	5.09	-40.61
FC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291564	0	47	-1.0	-40.10	377.95	6.74	-33.36
FC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291564	1	47	-1.0	-40.14	378.01	6.76	-33.38
FC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291565	0	44	-1.0	-41.92	357.42	6.06	-35.86
FC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291565	1	44	-1.0	-41.89	357.47	6.09	-35.80
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291566	0	59	0.0	-78.16	431.85	7.53	-70.63
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291566	1	59	0.0	-78.16	431.92	7.53	-70.63
CCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291567	0	54	-1.0	-47.39	423.72	6.17	-41.22
CCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291567	1	54	-1.0	-47.37	423.78	6.20	-41.17
CN(CCN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291568	0	56	-1.0	-44.98	432.47	3.72	-41.26
CN(CCN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291568	1	56	-1.0	-44.99	432.53	3.75	-41.24
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291569	0	56	-1.0	-39.97	425.36	8.20	-31.77
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291569	1	56	-1.0	-40.00	425.41	8.22	-31.78
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291570	0	53	-1.0	-44.28	395.40	7.66	-36.62
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291570	1	53	-1.0	-44.28	395.45	7.69	-36.59
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1=CC=CC=C1	REAL300020291571	0	56	-1.0	-45.85	436.62	9.72	-36.13
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1=CC=CC=C1	REAL300020291571	1	56	-1.0	-45.87	436.68	9.75	-36.12
O=S1(=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291572	0	50	-1.0	-46.53	409.96	3.34	-43.19
O=S1(=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291572	1	50	-1.0	-46.50	410.02	3.36	-43.14
O=S1(=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291573	0	47	-1.0	-47.06	382.86	2.73	-44.33
O=S1(=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291573	1	47	-1.0	-47.04	382.92	2.75	-44.29
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)S1	REAL300020291574	0	50	-1.0	-47.41	403.25	8.79	-38.62
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)S1	REAL300020291574	1	50	-1.0	-47.43	403.24	8.81	-38.62
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)SC=N1	REAL300020291575	0	49	-1.0	-42.74	399.45	5.80	-36.94
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)SC=N1	REAL300020291575	1	49	-1.0	-42.73	399.52	5.83	-36.90
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCS1	REAL300020291576	0	51	-1.0	-41.97	405.01	7.83	-34.14
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCS1	REAL300020291576	1	51	-1.0	-41.98	405.07	7.85	-34.13
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCS1	REAL300020291577	0	48	-1.0	-40.61	389.95	7.07	-33.54
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCS1	REAL300020291577	1	48	-1.0	-40.65	390.00	7.10	-33.55
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)O1	REAL300020291578	0	53	-1.0	-44.06	419.01	8.20	-35.86
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)O1	REAL300020291578	1	53	-1.0	-44.09	419.07	8.21	-35.88
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)O1	REAL300020291579	0	50	-1.0	-44.09	406.46	7.16	-36.93
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)O1	REAL300020291579	1	50	-1.0	-44.07	406.52	7.19	-36.88
NC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291580	0	54	-1.0	-52.46	425.34	3.96	-48.50
NC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291580	1	54	-1.0	-52.47	425.40	3.97	-48.50
NC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291581	0	51	-1.0	-52.97	403.80	3.16	-49.81
NC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291581	1	51	-1.0	-52.92	403.86	3.19	-49.73
CN(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291582	0	50	-1.0	-43.38	395.58	7.54	-35.84
CN(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291582	1	50	-1.0	-43.33	395.63	7.56	-35.77
CN(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291583	0	47	-1.0	-43.87	384.49	6.35	-37.52
CN(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291583	1	47	-1.0	-43.87	384.55	6.37	-37.50
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291584	0	59	0.0	-60.76	445.67	8.45	-52.31
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291584	1	59	0.0	-60.77	445.73	8.48	-52.29
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCCC3C2)N1CC1CCCCO1	REAL300020291585	0	57	-1.0	-42.39	430.88	9.01	-33.38
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCCC3C2)N1CC1CCCCO1	REAL300020291585	1	57	-1.0	-42.42	430.94	9.03	-33.39
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291586	0	56	-1.0	-42.65	423.21	8.70	-33.95
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291586	1	56	-1.0	-42.62	423.26	8.72	-33.90
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291587	0	53	-1.0	-48.38	395.49	8.49	-39.89
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291587	1	53	-1.0	-48.36	395.56	8.50	-39.86
CN(CCN1C=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291588	0	53	-1.0	-50.84	421.53	7.23	-43.61
CN(CCN1C=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291588	1	53	-1.0	-50.86	421.47	7.21	-43.65
CN(CCN1C=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291589	0	50	-1.0	-57.25	393.03	6.99	-50.26
CN(CCN1C=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291589	1	50	-1.0	-57.28	392.98	6.98	-50.30
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291590	0	57	-1.0	-42.20	443.26	7.05	-35.15
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291590	1	57	-1.0	-42.21	443.32	7.07	-35.14
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291591	0	54	-1.0	-43.39	421.82	6.22	-37.17
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291591	1	54	-1.0	-43.43	421.88	6.25	-37.18
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CCCCO1	REAL300020291592	0	57	0.0	-69.23	424.13	9.12	-60.11
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CCCCO1	REAL300020291592	1	57	0.0	-69.23	424.17	9.12	-60.11
C(C1=N[N-]N=N1)C1=NN=C(N2CCN(C3CCC3)CC2)N1CC1CCCCO1	REAL300020291592	1	56	-1.0	-44.00	423.97	6.39	-37.61
C(C1=NN=N[N-]1)C1=NN=C(N2CCN(C3CCC3)CC2)N1CC1CCCCO1	REAL300020291592	1	56	-1.0	-43.99	424.03	6.42	-37.57
CCOCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291593	0	57	-1.0	-43.34	443.67	7.19	-36.15
CCOCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291593	1	57	-1.0	-43.37	443.73	7.22	-36.15
CN(CCNS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291594	0	51	-1.0	-54.34	419.33	1.41	-52.93
CN(CCNS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291594	1	51	-1.0	-54.33	419.39	1.42	-52.91
CCN1C=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=N1	REAL300020291595	0	53	-1.0	-45.86	422.06	7.04	-38.82
CCN1C=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=N1	REAL300020291595	1	53	-1.0	-45.81	422.00	7.02	-38.79
CC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291596	0	56	-1.0	-40.52	426.91	8.83	-31.69
CC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291596	1	56	-1.0	-40.51	426.97	8.85	-31.66
CC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291597	0	53	-1.0	-45.12	399.04	8.03	-37.09
CC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291597	1	53	-1.0	-45.14	399.10	8.05	-37.09
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCN1C1CC1	REAL300020291598	0	52	-1.0	-44.28	412.66	5.97	-38.31
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCN1C1CC1	REAL300020291598	1	52	-1.0	-44.26	412.72	5.99	-38.27
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291599	0	53	-1.0	-52.23	418.64	7.39	-44.84
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291599	1	53	-1.0	-52.18	418.70	7.41	-44.77
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1=O	REAL300020291600	0	54	-1.0	-45.64	421.56	6.01	-39.63
CC(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1=O	REAL300020291600	1	54	-1.0	-45.68	421.61	6.04	-39.64
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)(C)O1	REAL300020291601	0	57	-1.0	-42.95	436.93	6.84	-36.11
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)(C)O1	REAL300020291601	1	57	-1.0	-42.93	436.99	6.87	-36.06
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291602	0	54	-1.0	-49.67	424.22	8.42	-41.25
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291602	1	54	-1.0	-49.69	424.28	8.44	-41.25
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291603	0	51	-1.0	-49.64	409.77	7.52	-42.12
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291603	1	51	-1.0	-49.63	409.83	7.54	-42.09
CCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291604	0	59	-1.0	-40.16	441.44	9.33	-30.83
CCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291604	1	59	-1.0	-40.17	441.50	9.35	-30.82
CCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291605	0	56	-1.0	-44.68	414.76	8.65	-36.03
CCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291605	1	56	-1.0	-44.71	414.81	8.68	-36.03
CN(CCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291606	0	56	-1.0	-45.01	443.69	9.83	-35.18
CN(CCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291606	1	56	-1.0	-44.99	443.75	9.85	-35.14
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291607	0	53	-1.0	-43.10	424.24	7.16	-35.94
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291607	1	53	-1.0	-43.08	424.29	7.18	-35.90
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCC3)C2)N1CC1CCCCO1	REAL300020291608	0	57	-1.0	-45.15	421.74	9.17	-35.98
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCC3)C2)N1CC1CCCCO1	REAL300020291608	1	57	-1.0	-45.13	421.79	9.17	-35.96
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1=O	REAL300020291609	0	51	-1.0	-43.37	403.30	5.41	-37.96
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1=O	REAL300020291609	1	51	-1.0	-43.43	403.36	5.43	-38.00
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1=O	REAL300020291610	0	48	-1.0	-45.76	385.85	4.47	-41.29
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1=O	REAL300020291610	1	48	-1.0	-45.77	385.91	4.50	-41.27
CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291611	0	57	-1.0	-43.88	443.93	7.28	-36.60
CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291611	1	57	-1.0	-43.95	443.99	7.30	-36.65
CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291612	0	54	-1.0	-44.68	422.39	6.49	-38.19
CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291612	1	54	-1.0	-44.65	422.45	6.51	-38.14
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CCCCO1	REAL300020291613	0	57	0.0	-67.46	430.96	8.77	-58.69
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CCCCO1	REAL300020291613	1	57	0.0	-67.41	431.02	8.80	-58.61
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291614	0	52	-1.0	-42.47	412.84	6.83	-35.64
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291614	1	52	-1.0	-42.50	412.90	6.86	-35.64
CN(CCC1=NC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291615	0	49	-1.0	-48.07	406.99	6.16	-41.91
CN(CCC1=NC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291615	1	49	-1.0	-48.12	407.05	6.17	-41.95
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)CCOCC3)N1CC1CCCCO1	REAL300020291616	0	55	-1.0	-50.76	388.53	6.26	-44.50
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)CCOCC3)N1CC1CCCCO1	REAL300020291616	1	55	-1.0	-50.80	388.61	6.26	-44.54
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCS1	REAL300020291617	0	54	-1.0	-40.37	424.18	8.02	-32.35
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCS1	REAL300020291617	1	54	-1.0	-40.37	424.23	8.04	-32.33
COC(=O)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291618	0	50	-1.0	-50.38	398.42	6.48	-43.90
COC(=O)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291618	1	50	-1.0	-50.40	398.47	6.50	-43.90
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291619	0	51	-1.0	-43.43	396.16	5.75	-37.68
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291619	1	51	-1.0	-43.43	396.22	5.77	-37.66
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291620	0	48	-1.0	-43.43	380.40	5.02	-38.41
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291620	1	48	-1.0	-43.46	380.46	5.06	-38.40
CC1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)S1	REAL300020291621	0	49	-1.0	-45.08	400.94	6.30	-38.78
CC1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)S1	REAL300020291621	1	49	-1.0	-45.10	401.00	6.33	-38.77
CN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291622	0	50	-1.0	-43.31	389.89	7.93	-35.38
CN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291622	1	50	-1.0	-43.26	389.95	7.94	-35.32
CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291623	0	47	-1.0	-49.05	363.82	7.46	-41.59
CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291623	1	47	-1.0	-49.03	363.84	7.48	-41.55
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291624	0	54	-1.0	-42.14	422.47	9.52	-32.62
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291624	1	54	-1.0	-42.11	422.52	9.49	-32.62
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291625	0	50	-1.0	-46.26	410.64	8.22	-38.04
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291625	1	50	-1.0	-46.25	410.69	8.25	-38.00
CC(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291626	0	55	-1.0	-42.38	426.24	8.06	-34.32
CC(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291626	1	55	-1.0	-42.36	426.30	8.08	-34.28
CC(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291627	0	52	-1.0	-44.67	401.35	7.31	-37.36
CC(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291627	1	52	-1.0	-44.69	401.41	7.33	-37.36
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291628	0	53	-1.0	-47.03	415.88	7.34	-39.69
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291628	1	53	-1.0	-46.99	415.94	7.36	-39.63
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291629	0	50	-1.0	-44.69	397.49	6.40	-38.29
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291629	1	50	-1.0	-44.69	397.55	6.42	-38.27
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291630	0	52	-1.0	-46.48	415.91	5.23	-41.25
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291630	1	52	-1.0	-46.43	415.97	5.25	-41.18
CN(CC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291631	0	55	-1.0	-42.36	419.22	8.33	-34.03
CN(CC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291631	1	55	-1.0	-42.36	419.27	8.35	-34.01
CN(CC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291632	0	52	-1.0	-48.75	385.16	8.26	-40.49
CN(CC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291632	1	52	-1.0	-48.76	385.17	8.27	-40.49
CN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291633	0	50	-1.0	-43.31	389.89	7.93	-35.38
CN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291633	1	50	-1.0	-43.26	389.95	7.94	-35.32
CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291634	0	47	-1.0	-49.05	363.82	7.46	-41.59
CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291634	1	47	-1.0	-49.03	363.84	7.48	-41.55
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291635	0	54	-1.0	-42.14	422.47	9.52	-32.62
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291635	1	54	-1.0	-42.11	422.52	9.49	-32.62
CN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291636	0	53	-1.0	-42.43	418.79	8.35	-34.08
CN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291636	1	53	-1.0	-42.40	418.84	8.36	-34.04
CN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291637	0	50	-1.0	-43.22	397.27	7.55	-35.67
CN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291637	1	50	-1.0	-43.24	397.33	7.57	-35.67
COCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291638	0	53	-1.0	-42.64	420.85	5.85	-36.79
COCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291638	1	53	-1.0	-42.64	420.90	5.86	-36.78
COCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291639	0	50	-1.0	-48.04	385.82	5.83	-42.21
COCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291639	1	50	-1.0	-48.03	385.81	5.85	-42.18
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)S1	REAL300020291640	0	54	-1.0	-38.99	428.03	8.16	-30.83
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)S1	REAL300020291640	1	54	-1.0	-38.95	428.08	8.18	-30.77
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)S1	REAL300020291641	0	51	-1.0	-42.28	404.09	7.86	-34.42
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)S1	REAL300020291641	1	51	-1.0	-42.28	404.15	7.88	-34.40
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291642	0	51	-1.0	-44.71	405.59	5.85	-38.86
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291642	1	51	-1.0	-44.69	405.64	5.87	-38.82
CN(CC1=CN=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291643	0	48	-1.0	-45.06	387.33	4.99	-40.07
CN(CC1=CN=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291643	1	48	-1.0	-45.06	387.39	5.02	-40.04
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CCCCO1	REAL300020291644	0	57	0.0	-63.56	428.14	8.05	-55.51
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CCCCO1	REAL300020291644	1	57	0.0	-69.36	410.44	7.70	-61.66
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CCCCO1	REAL300020291644	1	57	0.0	-63.62	428.20	8.08	-55.54
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CCCCO1	REAL300020291644	1	57	0.0	-69.37	410.50	7.72	-61.65
C(C1=N[N-]N=N1)C1=NN=C(N2CCN3CCCCC3C2)N1CC1CCCCO1	REAL300020291644	1	56	-1.0	-42.39	426.41	5.95	-36.44
C(C1=NN=N[N-]1)C1=NN=C(N2CCN3CCCCC3C2)N1CC1CCCCO1	REAL300020291644	1	56	-1.0	-42.43	426.47	5.98	-36.45
CC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291645	0	52	-1.0	-44.41	398.75	7.84	-36.57
CC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291645	1	52	-1.0	-44.41	398.80	7.85	-36.56
CC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291646	0	49	-1.0	-43.28	381.91	6.95	-36.33
CC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291646	1	49	-1.0	-43.30	381.98	6.98	-36.32
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291647	0	56	-1.0	-44.31	428.98	10.25	-34.06
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291647	1	56	-1.0	-44.34	429.03	10.24	-34.10
C1=NN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2)C=N1	REAL300020291648	0	53	-1.0	-46.08	419.38	8.62	-37.46
C1=NN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2)C=N1	REAL300020291648	1	53	-1.0	-46.08	419.32	8.59	-37.49
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291649	0	49	-1.0	-42.45	387.18	6.78	-35.67
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291649	1	49	-1.0	-42.47	387.23	6.79	-35.68
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291650	0	46	-1.0	-42.90	363.51	6.11	-36.79
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291650	1	46	-1.0	-42.99	363.57	6.13	-36.86
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291651	0	53	-1.0	-44.40	408.91	9.28	-35.12
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291651	1	53	-1.0	-44.35	408.94	9.27	-35.08
CN(CC1CCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291652	0	56	-1.0	-43.67	419.81	9.04	-34.63
CN(CC1CCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291652	1	56	-1.0	-43.68	419.87	9.05	-34.63
CN(CC1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291653	0	53	-1.0	-42.74	407.14	8.07	-34.67
CN(CC1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291653	1	53	-1.0	-42.74	407.20	8.09	-34.65
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291654	0	54	-1.0	-41.31	431.31	5.90	-35.41
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291654	1	54	-1.0	-41.33	431.37	5.92	-35.41
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291655	0	51	-1.0	-45.36	408.26	5.13	-40.23
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291655	1	51	-1.0	-45.36	408.32	5.16	-40.20
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291656	0	54	-1.0	-42.86	422.24	6.51	-36.35
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291656	1	54	-1.0	-42.87	422.30	6.53	-36.34
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291657	0	51	-1.0	-47.85	385.54	6.51	-41.34
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291657	1	51	-1.0	-47.85	385.59	6.52	-41.33
CN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291658	0	59	-1.0	-40.81	446.35	9.71	-31.10
CN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291658	1	59	-1.0	-40.83	446.40	9.72	-31.11
CN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291659	0	56	-1.0	-45.01	423.51	8.69	-36.32
CN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291659	1	56	-1.0	-45.05	423.56	8.72	-36.33
C#CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291660	0	45	-1.0	-42.94	364.29	6.81	-36.13
C#CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291660	1	45	-1.0	-42.95	364.35	6.82	-36.13
C#CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291661	0	42	-1.0	-42.70	349.33	5.92	-36.78
C#CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291661	1	42	-1.0	-42.68	349.28	5.90	-36.78
C#CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291662	0	49	-1.0	-41.13	402.31	8.40	-32.73
C#CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291662	1	49	-1.0	-41.16	402.34	8.39	-32.77
C=CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291663	0	47	-1.0	-43.02	371.31	6.88	-36.14
C=CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291663	1	47	-1.0	-43.01	371.37	6.89	-36.12
C=CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291664	0	44	-1.0	-42.56	356.36	5.98	-36.58
C=CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291664	1	44	-1.0	-42.57	356.30	5.95	-36.62
C=CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291665	0	51	-1.0	-41.05	408.18	8.42	-32.63
C=CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291665	1	51	-1.0	-41.03	408.21	8.41	-32.62
CC1(C)C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CC21	REAL300020291666	0	54	-1.0	-43.60	404.23	8.41	-35.19
CC1(C)C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CC21	REAL300020291666	1	54	-1.0	-43.66	404.30	8.43	-35.23
CC1(C)C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC21	REAL300020291667	0	51	-1.0	-44.90	386.75	7.51	-37.39
CC1(C)C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC21	REAL300020291667	1	51	-1.0	-44.87	386.80	7.53	-37.34
CC(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291668	0	59	-1.0	-42.19	445.60	9.06	-33.13
CC(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291668	1	59	-1.0	-42.19	445.66	9.07	-33.12
CC(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291669	0	56	-1.0	-42.07	425.72	8.26	-33.81
CC(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291669	1	56	-1.0	-42.08	425.78	8.28	-33.80
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291670	0	55	-1.0	-44.99	432.35	5.03	-39.96
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291670	1	55	-1.0	-45.00	432.41	5.06	-39.94
CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291671	0	50	-1.0	-44.10	386.90	7.41	-36.69
CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291671	1	50	-1.0	-44.10	386.96	7.42	-36.68
CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291672	0	47	-1.0	-46.37	366.68	6.47	-39.90
CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291672	1	47	-1.0	-46.38	366.74	6.48	-39.90
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC12CCC2	REAL300020291673	0	57	-1.0	-48.92	398.24	8.65	-40.27
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC12CCC2	REAL300020291673	1	57	-1.0	-48.92	398.27	8.67	-40.25
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291674	0	57	-1.0	-41.49	435.94	6.93	-34.56
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291674	1	57	-1.0	-41.51	436.00	6.94	-34.57
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291675	0	54	-1.0	-46.55	407.93	6.11	-40.44
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291675	1	54	-1.0	-46.54	407.99	6.14	-40.40
CC(C)(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291676	0	57	-1.0	-44.09	431.80	6.77	-37.32
CC(C)(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291676	1	57	-1.0	-44.17	431.86	6.79	-37.38
CC(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291677	0	59	-1.0	-45.37	432.49	8.46	-36.91
CC(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291677	1	59	-1.0	-45.43	432.54	8.50	-36.93
C1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)C=C1	REAL300020291678	0	54	-1.0	-46.93	404.53	8.64	-38.29
C1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)C=C1	REAL300020291678	1	54	-1.0	-46.93	404.58	8.67	-38.26
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291679	0	51	-1.0	-52.47	395.11	3.15	-49.32
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291679	1	51	-1.0	-52.52	395.17	3.16	-49.36
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291680	0	48	-1.0	-50.52	385.72	2.27	-48.25
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291680	1	48	-1.0	-50.53	385.77	2.30	-48.23
C(CC1=NN=C(N2CCCC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291681	0	47	-1.0	-44.31	359.66	6.54	-37.77
C(CC1=NN=C(N2CCCC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291681	1	47	-1.0	-44.31	359.72	6.56	-37.75
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2)N1CC1CCCCO1	REAL300020291682	0	44	-1.0	-46.40	338.28	5.76	-40.64
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2)N1CC1CCCCO1	REAL300020291682	1	44	-1.0	-46.41	338.34	5.79	-40.62
C1=CC(C2=NN=C(N3CCCC3)N2CC2CCCCO2)=CC=C1C1=N[N-]N=N1	REAL300020291683	0	51	-1.0	-45.15	387.15	8.79	-36.36
C1=CC(C2=NN=C(N3CCCC3)N2CC2CCCCO2)=CC=C1C1=NN=N[N-]1	REAL300020291683	1	51	-1.0	-45.15	387.18	8.78	-36.37
CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291684	0	53	-1.0	-42.97	404.88	8.03	-34.94
CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291684	1	53	-1.0	-42.96	404.93	8.05	-34.91
CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291685	0	50	-1.0	-44.93	383.32	7.25	-37.68
CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291685	1	50	-1.0	-44.95	383.38	7.27	-37.68
C(CC1=NN=C(N2CCOCC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291686	0	48	-1.0	-40.71	382.20	4.88	-35.83
C(CC1=NN=C(N2CCOCC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291686	1	48	-1.0	-40.79	382.25	4.89	-35.90
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCC2)N1CC1CCCCO1	REAL300020291687	0	45	-1.0	-44.33	358.84	4.11	-40.22
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCC2)N1CC1CCCCO1	REAL300020291687	1	45	-1.0	-44.33	358.90	4.13	-40.20
C1=CC(C2=NN=C(N3CCOCC3)N2CC2CCCCO2)=CC=C1C1=N[N-]N=N1	REAL300020291688	0	52	-1.0	-45.09	402.31	7.36	-37.73
C1=CC(C2=NN=C(N3CCOCC3)N2CC2CCCCO2)=CC=C1C1=NN=N[N-]1	REAL300020291688	1	52	-1.0	-45.07	402.32	7.35	-37.72
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291689	0	54	-1.0	-45.80	426.54	6.17	-39.63
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291689	1	54	-1.0	-45.78	426.60	6.18	-39.60
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291690	0	51	-1.0	-49.70	401.61	5.29	-44.41
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291690	1	51	-1.0	-49.75	401.67	5.32	-44.43
CC1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291691	0	56	-1.0	-43.09	424.26	8.74	-34.35
CC1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291691	1	56	-1.0	-43.07	424.31	8.75	-34.32
CC1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291692	0	53	-1.0	-42.53	411.22	7.70	-34.83
CC1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291692	1	53	-1.0	-42.57	411.28	7.72	-34.85
CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291693	0	52	-1.0	-42.28	408.67	7.56	-34.72
CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291693	1	52	-1.0	-42.31	408.73	7.57	-34.74
CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291694	0	49	-1.0	-48.14	373.65	7.54	-40.60
CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291694	1	49	-1.0	-48.12	373.63	7.56	-40.56
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291695	0	56	-1.0	-44.25	430.41	10.06	-34.19
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291695	1	56	-1.0	-44.21	430.44	10.05	-34.16
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291696	0	54	-1.0	-46.71	425.30	3.99	-42.72
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291696	1	54	-1.0	-46.69	425.35	4.00	-42.69
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291697	0	51	-1.0	-45.58	405.43	3.19	-42.39
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291697	1	51	-1.0	-45.61	405.48	3.21	-42.40
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291698	0	53	-1.0	-42.62	404.82	8.04	-34.58
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291698	1	53	-1.0	-42.67	404.88	8.05	-34.62
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291699	0	50	-1.0	-48.44	377.12	7.83	-40.61
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291699	1	50	-1.0	-48.46	377.15	7.82	-40.64
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291700	0	51	-1.0	-45.33	416.05	5.57	-39.76
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291700	1	51	-1.0	-45.33	416.11	5.59	-39.74
CN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291701	0	50	-1.0	-50.19	402.17	8.88	-41.31
CN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291701	1	50	-1.0	-50.20	402.30	8.88	-41.32
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291702	0	59	-1.0	-42.45	450.16	9.32	-33.13
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291702	1	59	-1.0	-42.43	450.22	9.34	-33.09
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291703	0	56	-1.0	-44.19	428.64	8.53	-35.66
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291703	1	56	-1.0	-44.19	428.70	8.55	-35.64
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291704	0	54	-1.0	-49.51	429.19	4.87	-44.64
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291704	1	54	-1.0	-49.55	429.24	4.89	-44.66
CN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291705	0	50	-1.0	-39.48	416.75	8.08	-31.40
CN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291705	1	50	-1.0	-39.52	416.81	8.10	-31.42
CN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291706	0	47	-1.0	-43.08	393.97	7.31	-35.77
CN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291706	1	47	-1.0	-43.11	394.03	7.34	-35.77
COC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291707	0	54	-1.0	-43.97	422.07	6.32	-37.65
COC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291707	1	54	-1.0	-43.95	422.13	6.33	-37.62
COC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291708	0	51	-1.0	-44.70	400.54	5.52	-39.18
COC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291708	1	51	-1.0	-44.69	400.59	5.55	-39.14
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291709	0	57	-1.0	-43.66	443.31	7.03	-36.63
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291709	1	57	-1.0	-43.66	443.37	7.04	-36.62
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291710	0	54	-1.0	-43.58	423.43	6.23	-37.35
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291710	1	54	-1.0	-43.57	423.49	6.26	-37.31
O=S1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291711	0	49	-1.0	-49.72	391.73	4.74	-44.98
O=S1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291711	1	49	-1.0	-49.71	391.78	4.75	-44.96
O=S1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291712	0	46	-1.0	-50.12	372.16	3.72	-46.40
O=S1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291712	1	46	-1.0	-50.10	372.22	3.75	-46.35
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291713	0	51	-1.0	-40.52	399.07	7.92	-32.60
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291713	1	51	-1.0	-40.54	399.13	7.93	-32.61
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291714	0	48	-1.0	-43.49	380.54	7.01	-36.48
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291714	1	48	-1.0	-43.50	380.60	7.03	-36.47
CN(CC1CCCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291715	0	57	-1.0	-43.52	430.83	7.45	-36.07
CN(CC1CCCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291715	1	57	-1.0	-43.54	430.89	7.47	-36.07
CN(CC1CCCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291716	0	54	-1.0	-45.48	408.72	6.61	-38.87
CN(CC1CCCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291716	1	54	-1.0	-45.49	408.78	6.64	-38.85
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291717	0	49	-1.0	-47.63	395.48	5.46	-42.17
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291717	1	49	-1.0	-47.63	395.54	5.48	-42.15
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291718	0	46	-1.0	-45.34	379.72	4.73	-40.61
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291718	1	46	-1.0	-45.36	379.79	4.77	-40.59
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291719	0	53	-1.0	-45.18	428.24	6.75	-38.43
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291719	1	53	-1.0	-45.16	428.18	6.73	-38.43
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291720	0	50	-1.0	-45.29	404.49	6.06	-39.23
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291720	1	50	-1.0	-45.28	404.42	6.03	-39.25
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291721	0	55	-1.0	-43.85	430.02	7.29	-36.56
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291721	1	55	-1.0	-43.90	430.08	7.31	-36.59
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291722	0	52	-1.0	-42.29	411.63	6.35	-35.94
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291722	1	52	-1.0	-42.29	411.69	6.37	-35.92
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291723	0	53	-1.0	-41.68	400.89	7.49	-34.19
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291723	1	53	-1.0	-41.70	400.94	7.50	-34.20
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291724	0	50	-1.0	-46.81	378.98	6.95	-39.86
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291724	1	50	-1.0	-46.81	379.03	6.97	-39.84
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291725	0	59	-1.0	-42.54	445.54	9.03	-33.51
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291725	1	59	-1.0	-42.50	445.60	9.05	-33.45
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291726	0	56	-1.0	-44.36	419.08	8.42	-35.94
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291726	1	56	-1.0	-44.35	419.14	8.44	-35.91
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291727	0	57	-1.0	-45.96	437.77	7.08	-38.88
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291727	1	57	-1.0	-46.00	437.83	7.09	-38.91
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291728	0	54	-1.0	-48.48	414.21	6.21	-42.27
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291728	1	54	-1.0	-48.40	414.26	6.23	-42.17
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291729	0	57	-1.0	-40.75	430.79	8.86	-31.89
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291729	1	57	-1.0	-40.75	430.85	8.88	-31.87
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCCCO1	REAL300020291730	0	54	-1.0	-48.74	401.85	8.97	-39.77
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCCCO1	REAL300020291730	1	54	-1.0	-48.72	401.90	8.98	-39.74
OC1C2CCCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020291731	0	55	-1.0	-50.31	395.14	7.38	-42.93
OC1C2CCCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020291731	1	55	-1.0	-50.27	395.19	7.41	-42.86
CO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291732	0	51	-1.0	-45.14	391.92	5.64	-39.50
CO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291732	1	51	-1.0	-45.13	391.98	5.65	-39.48
CO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291733	0	48	-1.0	-43.92	372.16	5.42	-38.50
CO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291733	1	48	-1.0	-43.95	372.23	5.45	-38.50
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291734	0	56	-1.0	-42.25	427.65	8.42	-33.83
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291734	1	56	-1.0	-42.27	427.71	8.43	-33.84
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291735	0	53	-1.0	-43.99	404.68	7.68	-36.31
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291735	1	53	-1.0	-43.99	404.73	7.70	-36.29
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291736	0	51	-1.0	-43.50	394.52	5.35	-38.15
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291736	1	51	-1.0	-43.49	394.58	5.37	-38.12
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291737	0	48	-1.0	-43.71	377.98	4.94	-38.77
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291737	1	48	-1.0	-43.70	378.04	4.97	-38.73
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291738	0	56	-1.0	-42.40	428.58	8.60	-33.80
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291738	1	56	-1.0	-42.38	428.64	8.61	-33.77
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291739	0	53	-1.0	-44.91	403.05	8.04	-36.87
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291739	1	53	-1.0	-44.93	403.11	8.06	-36.87
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)(C)C1	REAL300020291740	0	59	-1.0	-43.82	423.78	8.91	-34.91
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)(C)C1	REAL300020291740	1	59	-1.0	-43.83	423.81	8.93	-34.90
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)(C)C1	REAL300020291741	0	56	-1.0	-44.28	420.34	8.66	-35.62
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)(C)C1	REAL300020291741	1	56	-1.0	-44.25	420.39	8.69	-35.56
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291742	0	59	-1.0	-42.40	464.48	9.68	-32.72
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291742	1	59	-1.0	-42.45	464.54	9.70	-32.75
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291743	0	56	-1.0	-48.40	429.46	9.66	-38.74
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291743	1	56	-1.0	-48.42	429.44	9.68	-38.74
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCS1	REAL300020291744	0	54	-1.0	-41.28	429.68	8.47	-32.81
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCS1	REAL300020291744	1	54	-1.0	-41.31	429.73	8.49	-32.82
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCS1	REAL300020291745	0	51	-1.0	-40.43	409.86	7.58	-32.85
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCS1	REAL300020291745	1	51	-1.0	-40.45	409.91	7.61	-32.84
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291746	0	53	-1.0	-44.12	399.98	7.77	-36.35
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291746	1	53	-1.0	-44.08	400.04	7.78	-36.30
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291747	0	50	-1.0	-44.01	384.85	6.99	-37.02
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291747	1	50	-1.0	-44.01	384.92	7.02	-36.99
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCS1	REAL300020291748	0	54	-1.0	-42.24	406.58	8.27	-33.97
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCS1	REAL300020291748	1	54	-1.0	-42.25	406.68	8.28	-33.97
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCS1	REAL300020291749	0	51	-1.0	-43.17	389.68	7.42	-35.75
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCS1	REAL300020291749	1	51	-1.0	-43.15	389.74	7.44	-35.71
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3OCCCC3C2)N1CC1CCCCO1	REAL300020291750	0	55	-1.0	-42.37	422.22	6.79	-35.58
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3OCCCC3C2)N1CC1CCCCO1	REAL300020291750	1	55	-1.0	-42.35	422.28	6.81	-35.54
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291751	0	57	-1.0	-40.60	440.07	7.27	-33.33
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291751	1	57	-1.0	-40.64	440.13	7.28	-33.36
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291752	0	54	-1.0	-42.26	423.35	6.62	-35.64
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291752	1	54	-1.0	-42.24	423.40	6.65	-35.59
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291753	0	59	-1.0	-44.27	434.91	9.27	-35.00
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291753	1	59	-1.0	-44.30	434.97	9.30	-35.00
CNC(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291754	0	53	-1.0	-53.92	416.48	4.57	-49.35
CNC(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291754	1	53	-1.0	-53.93	416.54	4.59	-49.34
CNC(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291755	0	50	-1.0	-56.19	400.40	3.55	-52.64
CNC(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291755	1	50	-1.0	-56.18	400.46	3.56	-52.62
CN(CC1=CSC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291756	0	50	-1.0	-42.66	406.36	8.28	-34.38
CN(CC1=CSC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291756	1	50	-1.0	-42.63	406.41	8.29	-34.34
CN(CC1=CSC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291757	0	47	-1.0	-42.94	387.33	7.33	-35.61
CN(CC1=CSC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291757	1	47	-1.0	-42.90	387.38	7.36	-35.54
C(CC1=NN=C(N2CCCCC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291758	0	50	-1.0	-40.35	385.86	7.43	-32.92
C(CC1=NN=C(N2CCCCC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291758	1	50	-1.0	-40.40	385.91	7.45	-32.95
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC2)N1CC1CCCCO1	REAL300020291759	0	47	-1.0	-44.58	361.05	6.79	-37.79
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC2)N1CC1CCCCO1	REAL300020291759	1	47	-1.0	-44.58	361.11	6.81	-37.77
C1=CC(C2=NN=C(N3CCCCC3)N2CC2CCCCO2)=CC=C1C1=N[N-]N=N1	REAL300020291760	0	54	-1.0	-44.43	409.50	9.82	-34.61
C1=CC(C2=NN=C(N3CCCCC3)N2CC2CCCCO2)=CC=C1C1=NN=N[N-]1	REAL300020291760	1	54	-1.0	-44.45	409.55	9.82	-34.63
NC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291761	0	54	-1.0	-51.24	424.04	3.91	-47.33
NC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291761	1	54	-1.0	-51.22	424.10	3.94	-47.28
CN(CCOCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291762	0	57	-1.0	-42.70	452.59	7.65	-35.05
CN(CCOCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291762	1	57	-1.0	-42.71	452.65	7.67	-35.04
CN(CCOCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291763	0	54	-1.0	-43.60	423.94	7.24	-36.36
CN(CCOCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291763	1	54	-1.0	-43.62	424.00	7.26	-36.36
COCCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291764	0	57	-1.0	-52.43	441.11	5.91	-46.52
COCCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291764	1	57	-1.0	-52.40	441.11	5.94	-46.46
C(CC1=NN=C(N2CCC3(CCOC3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291765	0	55	-1.0	-44.77	410.40	6.29	-38.48
C(CC1=NN=C(N2CCC3(CCOC3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291765	1	55	-1.0	-44.76	410.46	6.30	-38.46
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCOC3)C2)N1CC1CCCCO1	REAL300020291766	0	52	-1.0	-45.97	389.70	5.45	-40.52
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCOC3)C2)N1CC1CCCCO1	REAL300020291766	1	52	-1.0	-46.02	389.75	5.48	-40.54
CN(C[C@H]1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291767	0	54	-1.0	-45.88	412.27	6.53	-39.35
CN(C[C@H]1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291767	1	54	-1.0	-45.88	412.33	6.55	-39.33
CN(C[C@H]1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291768	0	51	-1.0	-50.59	389.71	6.20	-44.39
CN(C[C@H]1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291768	1	51	-1.0	-50.60	389.74	6.21	-44.39
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291769	0	57	-1.0	-42.91	439.41	6.98	-35.93
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291769	1	57	-1.0	-42.86	439.46	6.99	-35.87
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291770	0	54	-1.0	-47.89	402.60	7.02	-40.87
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291770	1	54	-1.0	-47.90	402.64	7.02	-40.88
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291771	0	55	-1.0	-44.18	430.61	5.07	-39.11
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291771	1	55	-1.0	-44.22	430.67	5.09	-39.13
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291772	0	52	-1.0	-42.60	414.70	4.27	-38.33
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291772	1	52	-1.0	-42.62	414.76	4.29	-38.33
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCOC3)C2)N1CC1CCCCO1	REAL300020291773	0	53	-1.0	-44.79	404.95	4.21	-40.58
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCOC3)C2)N1CC1CCCCO1	REAL300020291773	1	53	-1.0	-44.76	405.01	4.24	-40.52
CN(CC1=NC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291774	0	49	-1.0	-43.03	401.83	6.66	-36.37
CN(CC1=NC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291774	1	49	-1.0	-43.06	401.88	6.67	-36.39
CN(CC1=NC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291775	0	46	-1.0	-44.30	379.84	5.81	-38.49
CN(CC1=NC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291775	1	46	-1.0	-44.29	379.90	5.83	-38.46
CCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291776	0	57	-1.0	-44.58	434.37	7.20	-37.38
CCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291776	1	57	-1.0	-44.54	434.43	7.22	-37.32
CCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291777	0	54	-1.0	-45.48	420.32	6.53	-38.95
CCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291777	1	54	-1.0	-45.50	420.38	6.56	-38.94
CN(CC1CCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291778	0	54	-1.0	-45.72	418.95	6.03	-39.69
CN(CC1CCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291778	1	54	-1.0	-45.69	419.01	6.05	-39.64
CN(CC1CCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291779	0	51	-1.0	-45.55	397.45	5.24	-40.31
CN(CC1CCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291779	1	51	-1.0	-45.53	397.51	5.26	-40.27
CCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291780	0	57	-1.0	-53.65	441.42	6.27	-47.38
CCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291780	1	57	-1.0	-53.68	441.42	6.29	-47.39
N#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291781	0	51	-1.0	-45.51	404.14	7.71	-37.80
N#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291781	1	51	-1.0	-45.58	404.20	7.73	-37.85
N#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291782	0	48	-1.0	-50.88	376.43	7.50	-43.38
N#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291782	1	48	-1.0	-50.94	376.50	7.51	-43.43
O=C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCN12	REAL300020291783	0	52	-1.0	-46.86	407.81	5.94	-40.92
O=C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCN12	REAL300020291783	1	52	-1.0	-46.87	407.87	5.97	-40.90
NC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291784	0	52	-1.0	-50.44	417.98	2.81	-47.63
NC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291784	1	52	-1.0	-50.41	418.03	2.83	-47.58
NC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291785	0	49	-1.0	-48.48	397.96	2.01	-46.47
NC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291785	1	49	-1.0	-48.53	398.02	2.04	-46.49
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291786	0	54	-1.0	-42.63	394.03	6.14	-36.49
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291786	1	54	-1.0	-42.64	394.09	6.15	-36.49
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291787	0	51	-1.0	-44.68	390.56	5.82	-38.86
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291787	1	51	-1.0	-44.67	390.62	5.84	-38.83
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291788	0	56	-1.0	-42.40	428.58	8.60	-33.80
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291788	1	56	-1.0	-42.38	428.64	8.61	-33.77
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291789	0	53	-1.0	-44.91	403.05	8.04	-36.87
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291789	1	53	-1.0	-44.93	403.11	8.06	-36.87
CN(CC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291790	0	46	-1.0	-44.14	377.83	5.66	-38.48
CN(CC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291790	1	46	-1.0	-44.14	377.89	5.68	-38.46
CN(CC(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291791	0	43	-1.0	-52.67	345.65	6.23	-46.44
CN(CC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291791	1	43	-1.0	-52.64	345.67	6.24	-46.40
CC(C#N)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291792	0	50	-1.0	-46.81	398.07	7.50	-39.31
CC(C#N)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291792	1	50	-1.0	-46.80	398.12	7.51	-39.29
CC(C#N)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291793	0	47	-1.0	-44.39	381.24	6.61	-37.78
CC(C#N)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291793	1	47	-1.0	-44.38	381.29	6.64	-37.74
NC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291794	0	54	-1.0	-49.18	416.94	4.01	-45.17
NC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291794	1	54	-1.0	-49.16	417.00	4.03	-45.13
CN(CCC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291795	0	59	-1.0	-42.95	444.20	9.29	-33.66
CN(CCC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291795	1	59	-1.0	-42.97	444.26	9.31	-33.66
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCN1	REAL300020291796	0	48	-1.0	-47.34	368.50	3.27	-44.07
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCN1	REAL300020291796	1	48	-1.0	-47.33	368.57	3.27	-44.06
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCN1	REAL300020291797	0	45	-1.0	-45.59	366.25	2.48	-43.11
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCN1	REAL300020291797	1	45	-1.0	-45.58	366.31	2.50	-43.08
CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291798	0	54	-1.0	-45.76	427.36	4.69	-41.07
CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291798	1	54	-1.0	-45.75	427.41	4.72	-41.03
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291799	0	53	-1.0	-43.10	424.24	7.16	-35.94
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291799	1	53	-1.0	-43.08	424.29	7.18	-35.90
CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291800	0	54	-1.0	-43.93	426.63	8.11	-35.82
CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291800	1	54	-1.0	-43.94	426.69	8.13	-35.81
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291801	0	54	-1.0	-45.68	426.68	7.72	-37.96
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291801	1	54	-1.0	-45.70	426.74	7.76	-37.94
CCC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=C1	REAL300020291802	0	56	-1.0	-42.70	444.06	9.71	-32.99
CCC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=C1	REAL300020291802	1	56	-1.0	-42.69	444.12	9.74	-32.95
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291803	0	54	-1.0	-42.42	416.63	6.45	-35.97
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291803	1	54	-1.0	-42.41	416.68	6.46	-35.95
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291804	0	51	-1.0	-48.14	388.92	6.24	-41.90
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291804	1	51	-1.0	-48.18	388.98	6.24	-41.94
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291805	0	56	-1.0	-46.10	436.14	3.96	-42.14
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291805	1	56	-1.0	-46.09	436.20	3.98	-42.11
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291805	1	57	0.0	-61.44	433.65	6.38	-55.06
COC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291806	0	53	-1.0	-51.31	417.19	7.25	-44.06
COC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291806	1	53	-1.0	-51.29	417.25	7.28	-44.01
CCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291807	0	53	-1.0	-42.75	420.92	6.07	-36.68
CCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291807	1	53	-1.0	-42.70	420.98	6.09	-36.61
CCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291808	0	50	-1.0	-43.67	392.28	5.66	-38.01
CCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291808	1	50	-1.0	-43.68	392.34	5.68	-38.00
CN(CCC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291809	0	57	-1.0	-43.59	435.34	6.90	-36.69
CN(CCC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291809	1	57	-1.0	-43.60	435.40	6.93	-36.67
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCCC3)C2)N1CC1CCCCO1	REAL300020291810	0	55	-1.0	-44.72	413.92	6.79	-37.93
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCCC3)C2)N1CC1CCCCO1	REAL300020291810	1	55	-1.0	-44.71	413.98	6.82	-37.89
CN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291811	0	52	-1.0	-53.15	430.92	3.52	-49.63
CN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291811	1	52	-1.0	-53.16	430.98	3.53	-49.63
CN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291812	0	49	-1.0	-63.54	394.25	3.53	-60.01
CN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291812	1	49	-1.0	-63.54	394.23	3.56	-59.98
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291813	0	53	-1.0	-43.89	403.12	8.07	-35.82
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291813	1	53	-1.0	-43.87	403.18	8.08	-35.79
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291814	0	50	-1.0	-44.54	385.42	7.21	-37.33
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291814	1	50	-1.0	-44.55	385.47	7.24	-37.31
C(CC1=NN=C(N2CCC3(CCC3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291815	0	54	-1.0	-43.73	413.24	8.49	-35.24
C(CC1=NN=C(N2CCC3(CCC3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291815	1	54	-1.0	-43.67	413.30	8.50	-35.17
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCC3)C2)N1CC1CCCCO1	REAL300020291816	0	51	-1.0	-44.49	390.78	7.55	-36.94
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCC3)C2)N1CC1CCCCO1	REAL300020291816	1	51	-1.0	-44.51	390.84	7.58	-36.93
N#CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291817	0	48	-1.0	-44.11	391.14	6.86	-37.25
N#CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291817	1	48	-1.0	-44.15	391.20	6.87	-37.28
N#CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291818	0	45	-1.0	-46.02	370.60	6.18	-39.84
N#CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291818	1	45	-1.0	-46.06	370.66	6.20	-39.86
CC(C)COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291819	0	57	-1.0	-42.09	440.33	7.27	-34.82
CC(C)COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291819	1	57	-1.0	-42.13	440.39	7.30	-34.83
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291820	0	59	-1.0	-48.23	434.14	9.75	-38.48
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291820	1	59	-1.0	-48.23	434.21	9.75	-38.48
CC(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291821	0	57	-1.0	-48.03	431.47	7.97	-40.06
CC(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291821	1	57	-1.0	-48.07	431.54	7.98	-40.09
CN(CC1=COC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291822	0	50	-1.0	-43.86	397.09	7.21	-36.65
CN(CC1=COC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291822	1	50	-1.0	-43.87	397.15	7.22	-36.65
CN(CC1=COC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291823	0	47	-1.0	-49.72	369.29	7.00	-42.72
CN(CC1=COC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291823	1	47	-1.0	-49.72	369.29	7.00	-42.72
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291824	0	59	0.0	-56.67	429.85	7.93	-48.74
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291824	1	59	0.0	-56.65	429.92	7.94	-48.71
CN(CC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291825	0	55	-1.0	-42.36	419.22	8.33	-34.03
CN(CC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291825	1	55	-1.0	-42.36	419.27	8.35	-34.01
CN(CC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291826	0	52	-1.0	-48.75	385.16	8.26	-40.49
CN(CC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291826	1	52	-1.0	-48.76	385.17	8.27	-40.49
CN(CC1CCCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291827	0	57	-1.0	-40.17	434.04	7.28	-32.89
CN(CC1CCCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291827	1	57	-1.0	-40.15	434.10	7.29	-32.86
CN(CC1CCCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291828	0	54	-1.0	-43.17	415.07	6.79	-36.38
CN(CC1CCCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291828	1	54	-1.0	-43.17	415.13	6.82	-36.35
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C=CO1	REAL300020291829	0	53	-1.0	-44.57	417.63	8.03	-36.54
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C=CO1	REAL300020291829	1	53	-1.0	-44.55	417.69	8.06	-36.49
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=CO1	REAL300020291830	0	50	-1.0	-45.31	397.25	7.23	-38.08
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=CO1	REAL300020291830	1	50	-1.0	-45.32	397.31	7.26	-38.06
CN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291831	0	50	-1.0	-43.71	403.56	8.45	-35.26
CN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291831	1	50	-1.0	-43.64	403.62	8.47	-35.17
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291832	0	56	-1.0	-42.86	436.82	10.11	-32.75
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291832	1	56	-1.0	-42.88	436.87	10.12	-32.76
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291833	0	53	-1.0	-43.62	414.71	9.13	-34.49
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291833	1	53	-1.0	-43.60	414.65	9.11	-34.49
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291834	0	59	0.0	-75.57	420.24	7.93	-67.64
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291834	1	59	0.0	-63.38	434.82	8.32	-55.06
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291834	1	58	-1.0	-42.36	440.37	6.16	-36.20
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291834	1	58	-1.0	-42.38	440.43	6.18	-36.20
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291835	0	56	0.0	-63.26	417.93	7.60	-55.66
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291835	1	56	0.0	-64.16	415.36	7.78	-56.38
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291835	1	56	0.0	-63.30	417.86	7.58	-55.72
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291835	1	56	0.0	-64.14	415.30	7.75	-56.39
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1C	REAL300020291835	1	55	-1.0	-42.29	420.59	5.28	-37.01
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1C	REAL300020291835	1	55	-1.0	-42.28	420.64	5.31	-36.97
CN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291836	0	57	-1.0	-46.41	428.24	7.55	-38.86
CN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291836	1	57	-1.0	-46.36	428.30	7.56	-38.80
CN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291837	0	54	-1.0	-44.75	414.56	6.25	-38.50
CN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291837	1	54	-1.0	-44.74	414.62	6.27	-38.47
C=C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291838	0	51	-1.0	-44.02	378.63	7.43	-36.59
C=C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291838	1	51	-1.0	-44.04	378.68	7.44	-36.60
C=C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291839	0	48	-1.0	-44.97	375.21	7.11	-37.86
C=C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291839	1	48	-1.0	-44.98	375.16	7.08	-37.90
CCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291840	0	55	-1.0	-44.56	417.19	8.50	-36.06
CCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291840	1	55	-1.0	-44.56	417.25	8.51	-36.05
CCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291841	0	52	-1.0	-42.59	401.49	7.67	-34.92
CCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291841	1	52	-1.0	-42.65	401.55	7.70	-34.95
C1=COC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)C2)=C1	REAL300020291842	0	54	-1.0	-46.55	430.93	8.37	-38.18
C1=COC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)C2)=C1	REAL300020291842	1	54	-1.0	-46.53	430.98	8.38	-38.15
C1=COC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)=C1	REAL300020291843	0	51	-1.0	-49.20	399.73	7.58	-41.62
C1=COC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)=C1	REAL300020291843	1	51	-1.0	-49.18	399.78	7.59	-41.59
CC(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291844	0	59	-1.0	-48.20	425.14	9.22	-38.98
CC(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291844	1	59	-1.0	-48.16	425.20	9.22	-38.94
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291845	0	50	-1.0	-43.59	386.53	7.30	-36.29
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291845	1	50	-1.0	-43.56	386.59	7.32	-36.24
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291846	0	47	-1.0	-44.61	365.03	6.52	-38.09
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291846	1	47	-1.0	-44.54	365.09	6.54	-38.00
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCCCO2)C1	REAL300020291847	0	54	-1.0	-44.93	411.32	9.62	-35.31
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCCCO2)C1	REAL300020291847	1	54	-1.0	-44.89	411.36	9.61	-35.28
C(CC1=NN=C(N2CCC3(CCCC3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291848	0	57	-1.0	-45.05	419.31	9.05	-36.00
C(CC1=NN=C(N2CCC3(CCCC3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291848	1	57	-1.0	-45.05	419.37	9.06	-35.99
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCC3)C2)N1CC1CCCCO1	REAL300020291849	0	54	-1.0	-43.11	405.38	8.20	-34.91
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCCC3)C2)N1CC1CCCCO1	REAL300020291849	1	54	-1.0	-43.11	405.44	8.23	-34.88
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291850	0	57	-1.0	-42.20	443.26	7.05	-35.15
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291850	1	57	-1.0	-42.21	443.32	7.07	-35.14
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291851	0	54	-1.0	-43.39	421.82	6.22	-37.17
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291851	1	54	-1.0	-43.43	421.88	6.25	-37.18
CS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291852	0	50	-1.0	-53.71	405.13	3.32	-50.39
CS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291852	1	50	-1.0	-53.72	405.19	3.34	-50.38
CC1(C#N)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291853	0	54	-1.0	-42.13	429.12	8.06	-34.07
CC1(C#N)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291853	1	54	-1.0	-42.13	429.18	8.07	-34.06
CC1(C#N)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291854	0	51	-1.0	-45.68	405.97	7.35	-38.33
CC1(C#N)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291854	1	51	-1.0	-45.67	406.03	7.37	-38.30
C(CC1=NN=C(N2CCOC3(CCC3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291855	0	55	-1.0	-43.27	424.50	7.08	-36.19
C(CC1=NN=C(N2CCOC3(CCC3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291855	1	55	-1.0	-43.29	424.56	7.09	-36.20
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCC3)C2)N1CC1CCCCO1	REAL300020291856	0	52	-1.0	-43.99	404.44	6.24	-37.75
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCC3)C2)N1CC1CCCCO1	REAL300020291856	1	52	-1.0	-43.98	404.50	6.26	-37.72
CCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291857	0	57	-1.0	-40.42	435.95	7.15	-33.27
CCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291857	1	57	-1.0	-40.45	436.01	7.17	-33.28
CCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291858	0	54	-1.0	-47.90	398.05	7.18	-40.72
CCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291858	1	54	-1.0	-47.92	398.09	7.18	-40.74
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291859	0	52	-1.0	-63.18	415.72	4.42	-58.76
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291859	1	52	-1.0	-63.18	415.69	4.44	-58.74
C(CC1=NN=C(N2CCC3(CCO3)CC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291860	0	55	-1.0	-43.24	428.70	6.57	-36.67
C(CC1=NN=C(N2CCC3(CCO3)CC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291860	1	55	-1.0	-43.25	428.75	6.58	-36.67
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCO3)CC2)N1CC1CCCCO1	REAL300020291861	0	52	-1.0	-45.50	401.63	5.93	-39.57
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCO3)CC2)N1CC1CCCCO1	REAL300020291861	1	52	-1.0	-45.50	401.69	5.95	-39.55
O=C1OCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCN12	REAL300020291862	0	50	-1.0	-51.92	388.83	5.58	-46.34
O=C1OCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCN12	REAL300020291862	1	50	-1.0	-51.92	388.87	5.59	-46.33
CC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291863	0	54	-1.0	-47.90	422.42	4.97	-42.93
CC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291863	1	54	-1.0	-47.88	422.48	5.00	-42.88
CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291864	0	56	-1.0	-41.51	444.14	9.50	-32.01
CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291864	1	56	-1.0	-41.50	444.20	9.51	-31.99
CN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291865	0	53	-1.0	-46.05	422.24	9.02	-37.03
CN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291865	1	53	-1.0	-46.10	422.30	9.04	-37.06
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291866	0	59	0.0	-67.67	443.00	8.35	-59.32
CC(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291866	1	58	-1.0	-40.01	438.89	5.89	-34.12
CC(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291866	1	58	-1.0	-40.02	438.94	5.91	-34.11
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291867	0	56	0.0	-58.98	423.05	7.55	-51.43
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291867	1	56	0.0	-59.02	422.99	7.53	-51.49
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291867	1	55	-1.0	-43.62	415.83	5.12	-38.50
CC(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291867	1	55	-1.0	-43.63	415.89	5.15	-38.48
COCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291868	0	50	-1.0	-42.84	399.07	5.09	-37.75
COCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291868	1	50	-1.0	-42.88	399.12	5.11	-37.77
COCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291869	0	47	-1.0	-43.76	370.42	4.69	-39.07
COCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291869	1	47	-1.0	-43.79	370.48	4.72	-39.07
COCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291870	0	54	-1.0	-45.53	420.85	7.61	-37.92
COCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291870	1	54	-1.0	-45.52	420.89	7.60	-37.92
CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291871	0	56	-1.0	-41.02	422.60	7.37	-33.65
CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291871	1	56	-1.0	-41.03	422.65	7.39	-33.64
CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291872	0	53	-1.0	-44.11	404.39	6.91	-37.20
CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291872	1	53	-1.0	-44.12	404.45	6.93	-37.19
CN(CC1=CC=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291873	0	52	-1.0	-44.28	414.04	7.65	-36.63
CN(CC1=CC=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291873	1	52	-1.0	-44.26	414.10	7.66	-36.60
CN(CC1=CC=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291874	0	49	-1.0	-45.66	392.56	6.86	-38.80
CN(CC1=CC=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291874	1	49	-1.0	-45.69	392.61	6.90	-38.79
C(CC1=NN=C(N2CCCCCC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291875	0	53	-1.0	-41.01	395.32	7.73	-33.28
C(CC1=NN=C(N2CCCCCC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291875	1	53	-1.0	-41.01	395.38	7.75	-33.26
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCC2)N1CC1CCCCO1	REAL300020291876	0	50	-1.0	-42.67	379.64	6.83	-35.84
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCC2)N1CC1CCCCO1	REAL300020291876	1	50	-1.0	-42.71	379.70	6.86	-35.85
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291877	0	56	-1.0	-42.88	428.29	10.04	-32.84
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291877	1	56	-1.0	-42.85	428.35	10.05	-32.80
CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291878	0	53	-1.0	-47.81	398.70	9.80	-38.01
CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291878	1	53	-1.0	-47.82	398.67	9.77	-38.05
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1=CC=CC=C1	REAL300020291879	0	50	-1.0	-41.52	394.39	9.44	-32.08
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1=CC=CC=C1	REAL300020291879	1	50	-1.0	-41.54	394.44	9.46	-32.08
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1=CC=CC=C1	REAL300020291880	0	47	-1.0	-44.56	372.30	8.96	-35.60
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1=CC=CC=C1	REAL300020291880	1	47	-1.0	-44.56	372.24	8.96	-35.60
C(CC1=NN=C(N2CCCOCC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291881	0	51	-1.0	-47.11	376.18	5.33	-41.78
C(CC1=NN=C(N2CCCOCC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291881	1	51	-1.0	-47.13	376.23	5.35	-41.78
C(C1=N[N-]N=N1)C1=NN=C(N2CCCOCC2)N1CC1CCCCO1	REAL300020291882	0	48	-1.0	-41.73	373.47	4.77	-36.96
C(C1=NN=N[N-]1)C1=NN=C(N2CCCOCC2)N1CC1CCCCO1	REAL300020291882	1	48	-1.0	-41.71	373.52	4.79	-36.92
COC1=CC=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C=C1	REAL300020291883	0	51	-1.0	-43.86	411.35	8.74	-35.12
COC1=CC=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C=C1	REAL300020291883	1	51	-1.0	-43.87	411.29	8.72	-35.15
COC1=CC=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=C1	REAL300020291884	0	48	-1.0	-49.17	384.50	8.06	-41.11
COC1=CC=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=C1	REAL300020291884	1	48	-1.0	-49.19	384.45	8.04	-41.15
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCSC1	REAL300020291885	0	51	-1.0	-42.72	401.83	7.59	-35.13
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCSC1	REAL300020291885	1	51	-1.0	-42.73	401.88	7.60	-35.13
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCSC1	REAL300020291886	0	48	-1.0	-44.63	378.49	6.87	-37.76
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCSC1	REAL300020291886	1	48	-1.0	-44.63	378.54	6.90	-37.73
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291887	0	59	0.0	-58.37	437.18	8.11	-50.26
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291887	1	59	0.0	-58.38	437.24	8.14	-50.24
C(CC1=NN=C(N2CCCCCCCC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291888	0	59	-1.0	-41.75	412.62	9.58	-32.17
C(CC1=NN=C(N2CCCCCCCC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291888	1	59	-1.0	-41.75	412.67	9.60	-32.15
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCCC2)N1CC1CCCCO1	REAL300020291889	0	56	-1.0	-43.44	391.12	8.80	-34.64
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCCC2)N1CC1CCCCO1	REAL300020291889	1	56	-1.0	-43.49	391.18	8.83	-34.66
C(CC1=NN=C(N2CCOCC3(CC3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291890	0	55	-1.0	-45.12	409.39	6.73	-38.39
C(CC1=NN=C(N2CCOCC3(CC3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291890	1	55	-1.0	-45.11	409.45	6.75	-38.36
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCC3(CC3)C2)N1CC1CCCCO1	REAL300020291891	0	52	-1.0	-46.97	387.74	5.92	-41.05
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCC3(CC3)C2)N1CC1CCCCO1	REAL300020291891	1	52	-1.0	-46.95	387.79	5.94	-41.01
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCC3(CCC3)C2)N1CC1CCCCO1	REAL300020291892	0	55	-1.0	-48.75	404.22	7.85	-40.90
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCC3(CCC3)C2)N1CC1CCCCO1	REAL300020291892	1	55	-1.0	-48.73	404.25	7.85	-40.88
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291893	0	59	0.0	-66.72	419.19	8.68	-58.04
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291893	1	59	0.0	-59.91	433.58	8.16	-51.75
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291893	1	59	0.0	-66.66	419.25	8.71	-57.95
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291893	1	59	0.0	-59.93	433.64	8.18	-51.75
CON(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291894	0	44	-1.0	-43.99	360.29	5.79	-38.20
CON(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291894	1	44	-1.0	-44.01	360.35	5.80	-38.21
CON(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291895	0	41	-1.0	-42.57	331.33	5.53	-37.04
CON(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291895	1	41	-1.0	-42.62	331.24	5.50	-37.12
CON(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020291896	0	48	-1.0	-42.51	388.90	7.75	-34.76
CON(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020291896	1	48	-1.0	-42.51	388.94	7.74	-34.77
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCCO1	REAL300020291897	0	54	-1.0	-43.86	416.99	6.49	-37.37
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCCO1	REAL300020291897	1	54	-1.0	-43.82	417.04	6.50	-37.32
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCCO1	REAL300020291898	0	51	-1.0	-45.40	390.56	5.92	-39.48
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCCO1	REAL300020291898	1	51	-1.0	-45.42	390.62	5.94	-39.48
CCC1C(=O)NCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291899	0	54	-1.0	-43.81	417.75	4.40	-39.41
CCC1C(=O)NCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291899	1	54	-1.0	-43.81	417.81	4.41	-39.40
CCC1C(=O)NCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291900	0	51	-1.0	-45.69	396.46	3.49	-42.20
CCC1C(=O)NCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291900	1	51	-1.0	-45.68	396.52	3.52	-42.16
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291901	0	54	-1.0	-51.66	425.36	4.71	-46.95
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291901	1	54	-1.0	-51.64	425.42	4.72	-46.92
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291902	0	51	-1.0	-59.54	396.57	3.82	-55.72
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291902	1	51	-1.0	-59.59	396.63	3.84	-55.75
COC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291903	0	51	-1.0	-44.53	399.88	4.97	-39.56
COC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291903	1	51	-1.0	-44.48	399.93	4.98	-39.50
COC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291904	0	48	-1.0	-44.12	381.48	4.01	-40.11
COC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291904	1	48	-1.0	-44.06	381.54	4.04	-40.02
CC1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291905	0	53	-1.0	-43.27	403.25	7.04	-36.23
CC1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291905	1	53	-1.0	-43.26	403.31	7.05	-36.21
CC1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291906	0	50	-1.0	-47.57	373.54	7.03	-40.54
CC1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291906	1	50	-1.0	-47.50	373.62	7.07	-40.43
CCC1CC(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291907	0	56	-1.0	-43.71	427.71	7.73	-35.98
CCC1CC(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291907	1	56	-1.0	-43.70	427.76	7.75	-35.95
CCC1CC(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291908	0	53	-1.0	-44.99	406.22	6.94	-38.05
CCC1CC(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291908	1	53	-1.0	-44.98	406.28	6.96	-38.02
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291909	0	51	-1.0	-43.43	396.16	5.75	-37.68
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291909	1	51	-1.0	-43.43	396.22	5.77	-37.66
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291910	0	48	-1.0	-43.43	380.40	5.02	-38.41
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291910	1	48	-1.0	-43.46	380.46	5.06	-38.40
CC(C)CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291911	0	59	-1.0	-43.35	443.15	8.61	-34.74
CC(C)CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291911	1	59	-1.0	-43.36	443.21	8.63	-34.73
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291912	0	59	-1.0	-44.15	429.10	7.89	-36.26
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291912	1	59	-1.0	-44.13	429.15	7.90	-36.23
COC1=CC=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020291913	0	51	-1.0	-46.13	406.78	8.58	-37.55
COC1=CC=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020291913	1	51	-1.0	-46.16	406.73	8.57	-37.59
COC1=CC=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020291914	0	48	-1.0	-49.35	390.13	7.96	-41.39
COC1=CC=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020291914	1	48	-1.0	-49.29	390.08	7.93	-41.36
CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020291915	0	47	-1.0	-44.50	384.48	8.32	-36.18
CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020291915	1	47	-1.0	-44.51	384.42	8.30	-36.21
CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020291916	0	44	-1.0	-46.46	362.98	7.52	-38.94
CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020291916	1	44	-1.0	-46.51	362.92	7.50	-39.01
CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C=N1	REAL300020291917	0	47	-1.0	-46.88	384.75	7.34	-39.54
CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C=N1	REAL300020291917	1	47	-1.0	-46.87	384.69	7.32	-39.55
CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=N1	REAL300020291918	0	44	-1.0	-51.62	357.94	6.65	-44.97
CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=N1	REAL300020291918	1	44	-1.0	-51.60	357.88	6.64	-44.96
CC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291919	0	56	-1.0	-44.05	426.49	7.57	-36.48
CC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291919	1	56	-1.0	-44.06	426.54	7.58	-36.48
CC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291920	0	53	-1.0	-43.80	386.81	6.28	-37.52
CC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291920	1	53	-1.0	-43.81	386.87	6.31	-37.50
CON1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291921	0	56	-1.0	-42.76	417.30	4.90	-37.86
CON1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291921	1	56	-1.0	-42.78	417.36	4.92	-37.86
CCC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020291922	0	56	-1.0	-41.15	437.28	10.87	-30.28
CCC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020291922	1	56	-1.0	-41.17	437.33	10.89	-30.28
CCC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020291923	0	53	-1.0	-45.96	421.44	10.26	-35.70
CCC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020291923	1	53	-1.0	-45.88	421.38	10.23	-35.65
C(CC1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291924	0	57	-1.0	-44.91	415.17	8.72	-36.19
C(CC1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291924	1	57	-1.0	-44.85	415.23	8.74	-36.11
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1CC1CCCCO1	REAL300020291925	0	54	-1.0	-45.45	402.13	7.95	-37.50
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1CC1CCCCO1	REAL300020291925	1	54	-1.0	-45.46	402.18	7.97	-37.49
COC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291926	0	54	-1.0	-47.30	404.92	6.11	-41.19
COC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291926	1	54	-1.0	-47.33	404.98	6.13	-41.20
COC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291927	0	51	-1.0	-48.46	384.71	5.18	-43.28
COC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291927	1	51	-1.0	-48.47	384.77	5.19	-43.28
FC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020291928	0	51	-1.0	-43.66	404.09	8.87	-34.79
FC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020291928	1	51	-1.0	-43.69	404.15	8.89	-34.80
FC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020291929	0	48	-1.0	-45.51	386.85	7.97	-37.54
FC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020291929	1	48	-1.0	-45.52	386.79	7.94	-37.58
FC1(F)C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CC21	REAL300020291930	0	51	-1.0	-41.46	403.80	8.64	-32.82
FC1(F)C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CC21	REAL300020291930	1	51	-1.0	-41.46	403.86	8.66	-32.80
FC1(F)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC21	REAL300020291931	0	48	-1.0	-46.32	382.91	7.95	-38.37
FC1(F)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC21	REAL300020291931	1	48	-1.0	-46.32	382.96	7.98	-38.34
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CC(C)(C)C1	REAL300020291932	0	56	-1.0	-43.28	430.37	8.42	-34.86
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CC(C)(C)C1	REAL300020291932	1	56	-1.0	-43.25	430.43	8.43	-34.82
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CC(C)(C)C1	REAL300020291933	0	53	-1.0	-49.55	398.22	8.49	-41.06
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CC(C)(C)C1	REAL300020291933	1	53	-1.0	-49.53	398.12	8.49	-41.04
C(CC1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291934	0	55	-1.0	-41.85	412.33	6.13	-35.72
C(CC1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291934	1	55	-1.0	-41.83	412.39	6.15	-35.68
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1CC1CCCCO1	REAL300020291935	0	52	-1.0	-47.28	396.12	5.45	-41.83
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1CC1CCCCO1	REAL300020291935	1	52	-1.0	-47.31	396.17	5.47	-41.84
CC1C(CO)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291936	0	57	-1.0	-41.23	430.77	4.41	-36.82
CC1C(CO)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291936	1	57	-1.0	-41.23	430.83	4.42	-36.81
CC1C(CO)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291937	0	54	-1.0	-42.95	404.91	4.21	-38.74
CC1C(CO)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291937	1	54	-1.0	-42.93	404.96	4.24	-38.69
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CC(C)(C)C1	REAL300020291938	0	59	-1.0	-40.30	430.25	8.67	-31.63
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CC(C)(C)C1	REAL300020291938	1	59	-1.0	-40.30	430.31	8.69	-31.61
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CC(C)(C)C1	REAL300020291939	0	56	-1.0	-44.96	406.80	8.21	-36.75
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CC(C)(C)C1	REAL300020291939	1	56	-1.0	-44.96	406.83	8.23	-36.73
CC(C1CC1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291940	0	53	-1.0	-44.05	394.15	8.28	-35.77
CC(C1CC1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291940	1	53	-1.0	-44.03	394.20	8.29	-35.74
CC(C1CC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291941	0	50	-1.0	-48.28	368.05	7.88	-40.40
CC(C1CC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291941	1	50	-1.0	-48.23	368.05	7.89	-40.34
FCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291942	0	51	-1.0	-43.58	407.47	6.01	-37.57
FCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291942	1	51	-1.0	-43.58	407.53	6.02	-37.56
FCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020291943	0	48	-1.0	-47.19	372.77	5.87	-41.32
FCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020291943	1	48	-1.0	-47.19	372.81	5.87	-41.32
C(CC1=NN=C(N2CCC(C3CCC3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291944	0	57	-1.0	-44.06	427.99	9.17	-34.89
C(CC1=NN=C(N2CCC(C3CCC3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291944	1	57	-1.0	-44.04	428.04	9.18	-34.86
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCC3)C2)N1CC1CCCCO1	REAL300020291945	0	54	-1.0	-43.64	412.49	8.42	-35.22
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCC3)C2)N1CC1CCCCO1	REAL300020291945	1	54	-1.0	-43.64	412.55	8.45	-35.19
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=C1C	REAL300020291946	0	56	-1.0	-43.24	438.67	9.38	-33.86
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=C1C	REAL300020291946	1	56	-1.0	-43.23	438.74	9.40	-33.83
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020291947	0	55	-1.0	-41.76	438.78	7.43	-34.33
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020291947	1	55	-1.0	-41.73	438.84	7.44	-34.29
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020291948	0	52	-1.0	-46.74	416.81	6.88	-39.86
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020291948	1	52	-1.0	-46.69	416.87	6.90	-39.79
CC(C)(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291949	0	59	-1.0	-44.98	431.54	8.82	-36.16
CC(C)(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291949	1	59	-1.0	-45.01	431.59	8.84	-36.17
COCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291950	0	56	-1.0	-44.26	442.35	6.63	-37.63
COCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291950	1	56	-1.0	-44.25	442.40	6.65	-37.60
COCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291951	0	53	-1.0	-50.32	407.32	6.61	-43.71
COCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291951	1	53	-1.0	-50.29	407.31	6.63	-43.66
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C(C)C1C	REAL300020291952	0	56	-1.0	-43.41	420.02	8.17	-35.24
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C(C)C1C	REAL300020291952	1	56	-1.0	-43.43	420.08	8.18	-35.25
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C(C)C1C	REAL300020291953	0	53	-1.0	-46.86	394.03	7.56	-39.30
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C(C)C1C	REAL300020291953	1	53	-1.0	-46.83	394.09	7.58	-39.25
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(CC)O1	REAL300020291954	0	57	-1.0	-44.02	437.36	7.39	-36.63
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(CC)O1	REAL300020291954	1	57	-1.0	-44.04	437.42	7.42	-36.62
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCC2=C1	REAL300020291955	0	54	-1.0	-43.40	428.90	9.25	-34.15
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCC2=C1	REAL300020291955	1	54	-1.0	-43.41	428.95	9.27	-34.14
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291956	0	54	-1.0	-50.51	421.71	5.12	-45.39
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291956	1	54	-1.0	-50.54	421.77	5.14	-45.40
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291957	0	51	-1.0	-50.07	403.34	4.17	-45.90
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291957	1	51	-1.0	-50.10	403.40	4.19	-45.91
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCC3)C2)N1CC1CCCCO1	REAL300020291958	0	57	-1.0	-44.67	428.77	9.00	-35.67
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCC3)C2)N1CC1CCCCO1	REAL300020291958	1	57	-1.0	-44.69	428.82	9.03	-35.66
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C2=CC=CC=C21	REAL300020291959	0	54	-1.0	-45.38	412.17	11.81	-33.57
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C2=CC=CC=C21	REAL300020291959	1	54	-1.0	-45.36	412.23	11.82	-33.54
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C2=CC=CC=C21	REAL300020291960	0	51	-1.0	-49.76	395.70	10.96	-38.80
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C2=CC=CC=C21	REAL300020291960	1	51	-1.0	-49.77	395.64	10.93	-38.84
C1=CN(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)N=N1	REAL300020291961	0	53	-1.0	-57.38	410.77	6.74	-50.64
C1=CN(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)N=N1	REAL300020291961	1	53	-1.0	-57.38	410.72	6.72	-50.66
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)[C@H](C)C1	REAL300020291962	0	56	-1.0	-39.84	427.85	7.66	-32.18
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)[C@H](C)C1	REAL300020291962	1	56	-1.0	-39.82	427.89	7.67	-32.15
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)[C@H](C)C1	REAL300020291963	0	53	-1.0	-43.44	408.12	6.94	-36.50
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)[C@H](C)C1	REAL300020291963	1	53	-1.0	-43.44	408.18	6.97	-36.47
C(CC1=NN=C(N2CC[C@@H]3OCC[C@@H]3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020291964	0	55	-1.0	-44.98	417.53	6.75	-38.23
C(CC1=NN=C(N2CC[C@@H]3OCC[C@@H]3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020291964	1	55	-1.0	-44.96	417.59	6.77	-38.19
C(C1=N[N-]N=N1)C1=NN=C(N2CC[C@@H]3OCC[C@@H]3C2)N1CC1CCCCO1	REAL300020291965	0	52	-1.0	-48.71	386.44	6.61	-42.10
C(C1=NN=N[N-]1)C1=NN=C(N2CC[C@@H]3OCC[C@@H]3C2)N1CC1CCCCO1	REAL300020291965	1	52	-1.0	-48.72	386.47	6.62	-42.10
C#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291966	0	52	-1.0	-42.80	410.57	8.52	-34.28
C#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291966	1	52	-1.0	-42.84	410.63	8.54	-34.30
C#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291967	0	49	-1.0	-48.51	382.86	8.31	-40.20
C#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291967	1	49	-1.0	-48.55	382.93	8.32	-40.23
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291968	0	55	-1.0	-42.72	436.02	9.15	-33.57
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291968	1	55	-1.0	-42.76	436.08	9.16	-33.60
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291969	0	52	-1.0	-43.95	414.58	8.32	-35.63
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291969	1	52	-1.0	-43.93	414.64	8.34	-35.59
CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291970	0	57	-1.0	-43.08	439.19	7.14	-35.94
CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291970	1	57	-1.0	-43.08	439.25	7.16	-35.92
CC(C)O[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291971	0	54	-1.0	-44.07	416.43	6.70	-37.37
CC(C)O[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291971	1	54	-1.0	-44.09	416.49	6.73	-37.36
CC(=O)NCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291972	0	53	-1.0	-46.10	426.49	4.34	-41.76
CC(=O)NCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291972	1	53	-1.0	-46.15	426.55	4.36	-41.79
CC(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291973	0	50	-1.0	-46.50	401.30	3.60	-42.90
CC(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291973	1	50	-1.0	-46.50	401.35	3.61	-42.89
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C[C@H]1C	REAL300020291974	0	53	-1.0	-45.49	418.61	6.86	-38.63
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C[C@H]1C	REAL300020291974	1	53	-1.0	-45.53	418.66	6.88	-38.65
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020291975	0	52	-1.0	-47.48	405.70	6.95	-40.53
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020291975	1	52	-1.0	-47.47	405.76	6.98	-40.49
N#CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020291976	0	49	-1.0	-48.21	397.12	8.07	-40.14
N#CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020291976	1	49	-1.0	-48.23	397.06	8.05	-40.18
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291977	0	52	-1.0	-43.68	416.04	8.41	-35.27
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291977	1	52	-1.0	-43.67	416.10	8.43	-35.24
C#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291978	0	49	-1.0	-44.48	394.51	7.61	-36.87
C#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291978	1	49	-1.0	-44.51	394.56	7.64	-36.87
CC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020291979	0	51	-1.0	-42.64	408.70	5.20	-37.44
CC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020291979	1	51	-1.0	-42.67	408.76	5.21	-37.46
CC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020291980	0	48	-1.0	-47.07	384.17	4.50	-42.57
CC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020291980	1	48	-1.0	-47.11	384.20	4.51	-42.60
COC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291981	0	55	-1.0	-49.14	423.03	3.26	-45.88
COC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291981	1	55	-1.0	-49.16	423.09	3.28	-45.88
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291982	0	59	0.0	-60.66	441.59	8.50	-52.16
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291982	1	59	0.0	-60.69	441.65	8.52	-52.17
FC1(F)CC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020291983	0	51	-1.0	-44.76	412.20	8.08	-36.68
FC1(F)CC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020291983	1	51	-1.0	-44.78	412.26	8.09	-36.69
FC1(F)CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020291984	0	48	-1.0	-45.45	390.70	7.28	-38.17
FC1(F)CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020291984	1	48	-1.0	-45.46	390.76	7.31	-38.15
N#CC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020291985	0	49	-1.0	-52.43	396.81	8.03	-44.40
N#CC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020291985	1	49	-1.0	-52.42	396.75	8.00	-44.42
FC1(F)C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CC21	REAL300020291986	0	48	-1.0	-46.04	380.47	7.61	-38.43
FC1(F)C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CC21	REAL300020291986	1	48	-1.0	-46.02	380.53	7.63	-38.39
FC1(F)C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC21	REAL300020291987	0	45	-1.0	-46.68	360.55	6.53	-40.15
FC1(F)C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC21	REAL300020291987	1	45	-1.0	-46.62	360.63	6.56	-40.06
FC1(F)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291988	0	50	-1.0	-40.39	401.76	7.69	-32.70
FC1(F)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291988	1	50	-1.0	-40.39	401.83	7.70	-32.69
FC1(F)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291989	0	47	-1.0	-42.67	381.08	6.85	-35.82
FC1(F)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291989	1	47	-1.0	-42.66	381.14	6.87	-35.79
FC1(F)CC12CCCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020291990	0	51	-1.0	-46.89	406.13	7.93	-38.96
FC1(F)CC12CCCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020291990	1	51	-1.0	-46.89	406.18	7.95	-38.94
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC2(CCC2)O1	REAL300020291991	0	55	-1.0	-43.10	425.97	6.93	-36.17
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC2(CCC2)O1	REAL300020291991	1	55	-1.0	-43.12	426.03	6.95	-36.17
CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291992	0	57	-1.0	-41.80	443.91	7.31	-34.49
CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291992	1	57	-1.0	-41.79	443.97	7.32	-34.47
CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020291993	0	54	-1.0	-41.45	424.03	6.51	-34.94
CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020291993	1	54	-1.0	-41.48	424.09	6.53	-34.95
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCOC1	REAL300020291994	0	57	-1.0	-46.66	416.24	7.00	-39.66
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCOC1	REAL300020291994	1	57	-1.0	-46.69	416.29	7.01	-39.68
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCOC1	REAL300020291995	0	54	-1.0	-48.33	391.05	5.91	-42.42
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCOC1	REAL300020291995	1	54	-1.0	-48.31	391.11	5.93	-42.38
CC(C)OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020291996	0	57	-1.0	-44.72	437.67	7.06	-37.66
CC(C)OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020291996	1	57	-1.0	-44.71	437.73	7.08	-37.63
CCN(CCSC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291997	0	53	-1.0	-45.44	420.47	7.28	-38.16
CCN(CCSC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291997	1	53	-1.0	-45.46	420.53	7.29	-38.17
CCN(CCSC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020291998	0	50	-1.0	-49.49	393.16	7.36	-42.13
CCN(CCSC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020291998	1	50	-1.0	-49.48	393.25	7.37	-42.11
FC1(F)CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)CC2	REAL300020291999	0	51	-1.0	-47.29	398.16	8.81	-38.48
FC1(F)CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)CC2	REAL300020291999	1	51	-1.0	-47.25	398.21	8.82	-38.43
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1=O	REAL300020292000	0	51	-1.0	-43.37	403.30	5.41	-37.96
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1=O	REAL300020292000	1	51	-1.0	-43.43	403.36	5.43	-38.00
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1=O	REAL300020292001	0	48	-1.0	-45.76	385.85	4.47	-41.29
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1=O	REAL300020292001	1	48	-1.0	-45.77	385.91	4.50	-41.27
C(CC1=NN=C(N2CC3CCC3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292002	0	51	-1.0	-44.49	387.03	7.82	-36.67
C(CC1=NN=C(N2CC3CCC3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292002	1	51	-1.0	-44.48	387.08	7.83	-36.65
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC3C2)N1CC1CCCCO1	REAL300020292003	0	48	-1.0	-46.43	365.58	7.02	-39.41
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC3C2)N1CC1CCCCO1	REAL300020292003	1	48	-1.0	-46.40	365.63	7.05	-39.35
CC1COC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292004	0	55	-1.0	-43.49	419.81	6.10	-37.39
CC1COC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292004	1	55	-1.0	-43.55	419.87	6.14	-37.41
CC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020292005	0	54	-1.0	-43.67	427.02	9.34	-34.33
CC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020292005	1	54	-1.0	-43.67	427.07	9.36	-34.31
COCCN(CCF)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292006	0	53	-1.0	-42.54	406.84	5.71	-36.83
COCCN(CCF)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292006	1	53	-1.0	-42.53	406.90	5.73	-36.80
COCCN(CCF)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292007	0	50	-1.0	-48.68	385.88	5.00	-43.68
COCCN(CCF)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292007	1	50	-1.0	-48.77	385.98	5.02	-43.75
CN(CC1COCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292008	0	55	-1.0	-46.09	427.18	5.28	-40.81
CN(CC1COCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292008	1	55	-1.0	-46.08	427.24	5.30	-40.78
CN(CC1COCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292009	0	52	-1.0	-43.99	407.11	4.33	-39.66
CN(CC1COCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292009	1	52	-1.0	-44.01	407.17	4.36	-39.65
CN(CC1=CCCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292010	0	55	-1.0	-42.84	432.54	6.84	-36.00
CN(CC1=CCCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292010	1	55	-1.0	-42.83	432.60	6.85	-35.98
CN(CC1=CCCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292011	0	52	-1.0	-44.00	406.37	6.04	-37.96
CN(CC1=CCCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292011	1	52	-1.0	-43.96	406.42	6.07	-37.89
C[C@@]12COC[C@]1(C)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292012	0	55	-1.0	-48.42	408.65	5.74	-42.68
C[C@@]12COC[C@]1(C)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292012	1	55	-1.0	-48.45	408.71	5.76	-42.69
OCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292013	0	55	-1.0	-47.40	421.02	2.34	-45.06
OCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292013	1	55	-1.0	-47.43	421.08	2.36	-45.07
OCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292014	0	52	-1.0	-47.78	401.95	1.34	-46.44
OCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292014	1	52	-1.0	-47.80	402.01	1.36	-46.44
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCC3)CC2)N1CC1CCCCO1	REAL300020292015	0	57	-1.0	-44.03	428.96	9.37	-34.66
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCC3)CC2)N1CC1CCCCO1	REAL300020292015	1	57	-1.0	-44.01	429.02	9.40	-34.61
C=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292016	0	57	-1.0	-42.26	443.05	9.20	-33.06
C=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292016	1	57	-1.0	-42.27	443.11	9.22	-33.05
C=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292017	0	54	-1.0	-44.27	414.95	8.44	-35.83
C=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292017	1	54	-1.0	-44.27	415.01	8.46	-35.81
CCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020292018	0	50	-1.0	-44.44	401.19	9.03	-35.41
CCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020292018	1	50	-1.0	-44.52	401.13	9.01	-35.51
CCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020292019	0	47	-1.0	-48.81	379.27	8.49	-40.32
CCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020292019	1	47	-1.0	-48.76	379.21	8.48	-40.28
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292020	0	55	-1.0	-42.72	436.02	9.15	-33.57
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292020	1	55	-1.0	-42.76	436.08	9.16	-33.60
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292021	0	52	-1.0	-43.95	414.58	8.32	-35.63
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292021	1	52	-1.0	-43.93	414.64	8.34	-35.59
C1=CN(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)N=N1	REAL300020292022	0	53	-1.0	-53.82	420.13	6.17	-47.65
C1=CN(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)N=N1	REAL300020292022	1	53	-1.0	-53.84	420.08	6.15	-47.69
N#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292023	0	54	-1.0	-45.90	429.60	8.33	-37.57
N#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292023	1	54	-1.0	-45.93	429.66	8.34	-37.59
N#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292024	0	51	-1.0	-45.26	408.16	7.50	-37.76
N#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292024	1	51	-1.0	-45.31	408.21	7.53	-37.78
CCC(C)N(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292025	0	55	-1.0	-42.82	408.47	8.44	-34.38
CCC(C)N(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292025	1	55	-1.0	-42.82	408.53	8.46	-34.36
CCC(C)N(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292026	0	52	-1.0	-44.04	389.98	7.28	-36.76
CCC(C)N(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292026	1	52	-1.0	-44.04	390.04	7.30	-36.74
C(C1=N[N-]N=N1)C1=NN=C(N2CC3C(C2)C2CCC3CC2)N1CC1CCCCO1	REAL300020292027	0	58	-1.0	-44.73	418.47	8.63	-36.10
C(C1=NN=N[N-]1)C1=NN=C(N2CC3C(C2)C2CCC3CC2)N1CC1CCCCO1	REAL300020292027	1	58	-1.0	-44.70	418.52	8.65	-36.05
O=C1CCC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)N1	REAL300020292028	0	53	-1.0	-51.98	400.83	5.50	-46.48
O=C1CCC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)N1	REAL300020292028	1	53	-1.0	-51.99	400.86	5.51	-46.48
C1=COC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2)=C1	REAL300020292029	0	54	-1.0	-49.52	417.74	8.95	-40.57
C1=COC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2)=C1	REAL300020292029	1	54	-1.0	-49.52	417.76	8.94	-40.58
CC1(C2CC2)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292030	0	55	-1.0	-44.77	416.50	7.17	-37.60
CC1(C2CC2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292030	1	55	-1.0	-44.78	416.56	7.20	-37.58
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CC(C(C)(C)C)C1	REAL300020292031	0	59	-1.0	-44.25	439.95	9.02	-35.23
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CC(C(C)(C)C)C1	REAL300020292031	1	59	-1.0	-44.27	440.01	9.05	-35.22
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292032	0	59	-1.0	-44.40	427.42	8.99	-35.41
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292032	1	59	-1.0	-44.40	427.48	9.02	-35.38
C1=CN(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)N=C1	REAL300020292033	0	54	-1.0	-50.10	423.96	7.25	-42.85
C1=CN(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)N=C1	REAL300020292033	1	54	-1.0	-50.04	423.90	7.24	-42.80
FCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292034	0	56	-1.0	-44.84	429.83	8.82	-36.02
FCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292034	1	56	-1.0	-44.88	429.89	8.83	-36.05
FCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292035	0	53	-1.0	-46.52	409.64	8.18	-38.34
FCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292035	1	53	-1.0	-46.53	409.70	8.20	-38.33
CC12COCC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292036	0	55	-1.0	-40.56	419.54	5.79	-34.77
CC12COCC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292036	1	55	-1.0	-40.57	419.60	5.81	-34.76
CC12COCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292037	0	52	-1.0	-47.82	368.44	5.29	-42.53
CC12COCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292037	1	52	-1.0	-47.86	368.53	5.30	-42.56
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C[C@H](C)O1	REAL300020292038	0	57	-1.0	-45.06	424.32	7.47	-37.59
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C[C@H](C)O1	REAL300020292038	1	57	-1.0	-45.04	424.38	7.48	-37.56
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C[C@H](C)O1	REAL300020292039	0	54	-1.0	-45.91	406.10	6.45	-39.46
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C[C@H](C)O1	REAL300020292039	1	54	-1.0	-45.93	406.16	6.46	-39.47
FC1(F)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292040	0	53	-1.0	-41.20	411.20	8.33	-32.87
FC1(F)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292040	1	53	-1.0	-41.23	411.26	8.34	-32.89
FC1(F)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292041	0	50	-1.0	-43.06	393.29	7.36	-35.70
FC1(F)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292041	1	50	-1.0	-43.06	393.35	7.38	-35.68
CN(CC1=CN(C)N=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292042	0	52	-1.0	-50.67	413.55	5.68	-44.99
CN(CC1=CN(C)N=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292042	1	52	-1.0	-50.67	413.61	5.70	-44.97
CN(CC1=CN(C)N=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292043	0	49	-1.0	-50.31	401.09	4.67	-45.64
CN(CC1=CN(C)N=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292043	1	49	-1.0	-50.31	401.15	4.70	-45.61
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292044	0	59	-1.0	-40.75	442.79	8.04	-32.71
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292044	1	59	-1.0	-40.72	442.84	8.05	-32.67
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292045	0	56	-1.0	-44.94	425.95	7.56	-37.38
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292045	1	56	-1.0	-44.94	426.00	7.59	-37.35
C(CC1=NN=C(N2CC3(C2)CCCO3)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292046	0	52	-1.0	-45.21	405.93	5.49	-39.72
C(CC1=NN=C(N2CC3(C2)CCCO3)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292046	1	52	-1.0	-45.16	405.99	5.50	-39.66
C(C1=N[N-]N=N1)C1=NN=C(N2CC3(C2)CCCO3)N1CC1CCCCO1	REAL300020292047	0	49	-1.0	-46.74	384.44	4.70	-42.04
C(C1=NN=N[N-]1)C1=NN=C(N2CC3(C2)CCCO3)N1CC1CCCCO1	REAL300020292047	1	49	-1.0	-46.70	384.49	4.73	-41.97
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292048	0	54	-1.0	-52.82	418.34	5.68	-47.14
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292048	1	54	-1.0	-52.84	418.41	5.70	-47.14
C(CC1=NN=C(N2CCSC3CCC32)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292049	0	52	-1.0	-42.56	399.26	7.84	-34.72
C(CC1=NN=C(N2CCSC3CCC32)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292049	1	52	-1.0	-42.59	399.31	7.86	-34.73
C(C1=N[N-]N=N1)C1=NN=C(N2CCSC3CCC32)N1CC1CCCCO1	REAL300020292050	0	49	-1.0	-42.82	389.38	7.46	-35.36
C(C1=NN=N[N-]1)C1=NN=C(N2CCSC3CCC32)N1CC1CCCCO1	REAL300020292050	1	49	-1.0	-42.79	389.47	7.46	-35.33
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(C(N)=O)O1	REAL300020292051	0	52	-1.0	-43.83	413.19	2.71	-41.12
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(C(N)=O)O1	REAL300020292051	1	52	-1.0	-43.87	413.24	2.73	-41.14
COC(=O)N(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292052	0	54	-1.0	-49.52	432.06	5.56	-43.96
COC(=O)N(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292052	1	54	-1.0	-49.54	432.11	5.58	-43.96
CN(CC1(C)COC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292053	0	54	-1.0	-44.97	409.54	6.52	-38.45
CN(CC1(C)COC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292053	1	54	-1.0	-45.03	409.60	6.54	-38.49
CN(CC1(C)COC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292054	0	51	-1.0	-41.61	401.24	5.41	-36.20
CN(CC1(C)COC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292054	1	51	-1.0	-41.59	401.30	5.43	-36.16
CCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292055	0	61	-1.0	-48.32	448.00	10.10	-38.22
CCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292055	1	61	-1.0	-48.31	448.02	10.10	-38.21
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(C3CCC3)C2)N1CC1CCCCO1	REAL300020292056	0	57	-1.0	-48.58	424.99	9.86	-38.72
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(C3CCC3)C2)N1CC1CCCCO1	REAL300020292056	1	57	-1.0	-48.58	425.05	9.88	-38.70
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2)=NO1	REAL300020292057	0	53	-1.0	-45.34	423.31	7.31	-38.03
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2)=NO1	REAL300020292057	1	53	-1.0	-45.39	423.36	7.34	-38.05
OC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020292058	0	52	-1.0	-46.47	408.95	5.85	-40.62
OC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020292058	1	52	-1.0	-46.47	409.00	5.88	-40.59
OC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020292059	0	49	-1.0	-47.43	387.28	4.82	-42.61
OC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020292059	1	49	-1.0	-47.47	387.22	4.80	-42.67
C=C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292060	0	50	-1.0	-42.88	390.90	7.49	-35.39
C=C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292060	1	50	-1.0	-42.87	390.96	7.50	-35.37
C=C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292061	0	47	-1.0	-42.42	376.01	6.57	-35.85
C=C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292061	1	47	-1.0	-42.41	375.95	6.54	-35.87
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020292062	0	54	-1.0	-40.95	425.06	9.02	-31.93
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020292062	1	54	-1.0	-40.92	425.09	9.01	-31.91
CC1(C(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292063	0	51	-1.0	-45.93	407.74	6.05	-39.88
CC1(C(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292063	1	51	-1.0	-45.90	407.80	6.08	-39.82
C(CC1=NN=C(N2CCC3(COC3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292064	0	52	-1.0	-44.96	396.61	5.55	-39.41
C(CC1=NN=C(N2CCC3(COC3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292064	1	52	-1.0	-45.02	396.67	5.56	-39.46
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(COC3)C2)N1CC1CCCCO1	REAL300020292065	0	49	-1.0	-43.51	381.87	4.79	-38.72
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(COC3)C2)N1CC1CCCCO1	REAL300020292065	1	49	-1.0	-43.55	381.92	4.82	-38.73
C(CC1=NN=C(N2CCC3CC3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292066	0	51	-1.0	-41.29	393.26	7.95	-33.34
C(CC1=NN=C(N2CCC3CC3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292066	1	51	-1.0	-41.29	393.32	7.97	-33.32
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CC3C2)N1CC1CCCCO1	REAL300020292067	0	48	-1.0	-45.70	359.82	6.94	-38.76
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CC3C2)N1CC1CCCCO1	REAL300020292067	1	48	-1.0	-45.70	359.88	6.97	-38.73
CC1=NN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)S1	REAL300020292068	0	48	-1.0	-45.89	398.42	5.19	-40.70
CC1=NN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)S1	REAL300020292068	1	48	-1.0	-45.91	398.48	5.21	-40.70
CC12CC(C1)CN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292069	0	51	-1.0	-41.49	392.22	7.04	-34.45
CC12CC(C1)CN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292069	1	51	-1.0	-41.52	392.27	7.05	-34.47
CC12CC(C1)CN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292070	0	48	-1.0	-46.24	369.72	6.53	-39.71
CC12CC(C1)CN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292070	1	48	-1.0	-46.28	369.78	6.56	-39.72
CN(CC1=CCSC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292071	0	52	-1.0	-42.80	424.96	8.35	-34.45
CN(CC1=CCSC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292071	1	52	-1.0	-42.79	425.02	8.36	-34.43
CN(CC1=CCSC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292072	0	49	-1.0	-48.66	390.60	8.30	-40.36
CN(CC1=CCSC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292072	1	49	-1.0	-48.67	390.64	8.32	-40.35
C(CC1=NN=C(N2CCC3COCC3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292073	0	55	-1.0	-43.24	424.19	6.55	-36.69
C(CC1=NN=C(N2CCC3COCC3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292073	1	55	-1.0	-43.23	424.25	6.57	-36.66
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3COCC3C2)N1CC1CCCCO1	REAL300020292074	0	52	-1.0	-44.10	398.14	5.94	-38.16
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3COCC3C2)N1CC1CCCCO1	REAL300020292074	1	52	-1.0	-44.11	398.20	5.96	-38.15
C(CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CC1	REAL300020292075	0	57	-1.0	-48.72	434.63	9.67	-39.05
C(CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CC1	REAL300020292075	1	57	-1.0	-48.76	434.67	9.69	-39.07
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292076	0	57	-1.0	-42.88	442.43	6.85	-36.03
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292076	1	57	-1.0	-42.88	442.49	6.87	-36.01
C#CCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292077	0	55	-1.0	-43.89	427.72	6.84	-37.05
C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292077	1	55	-1.0	-43.87	427.77	6.86	-37.01
C#CCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292078	0	52	-1.0	-44.89	415.76	6.05	-38.84
C#CCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292078	1	52	-1.0	-44.89	415.83	6.09	-38.80
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292079	0	54	-1.0	-44.06	422.89	9.42	-34.64
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292079	1	54	-1.0	-44.05	422.95	9.43	-34.62
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292080	0	51	-1.0	-46.29	398.60	7.61	-38.68
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292080	1	51	-1.0	-46.22	398.53	7.59	-38.63
C(C1=N[N-]N=N1)C1=NN=C(N2CC3C4COCC4C3C2)N1CC1CCCCO1	REAL300020292081	0	53	-1.0	-49.25	392.75	6.76	-42.49
C(C1=NN=N[N-]1)C1=NN=C(N2CC3C4COCC4C3C2)N1CC1CCCCO1	REAL300020292081	1	53	-1.0	-49.18	393.75	6.79	-42.39
CN(CC1CC1(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292082	0	56	-1.0	-41.18	433.89	8.69	-32.49
CN(CC1CC1(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292082	1	56	-1.0	-41.17	433.95	8.70	-32.47
CN(CC1CC1(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292083	0	53	-1.0	-43.54	412.49	8.14	-35.40
CN(CC1CC1(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292083	1	53	-1.0	-43.52	412.54	8.16	-35.36
OCC1CC2CCC1N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292084	0	55	-1.0	-45.64	396.06	3.80	-41.84
OCC1CC2CCC1N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292084	1	55	-1.0	-45.67	396.12	3.80	-41.87
C(CC1=NN=C(N2CC3CCC(C3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292085	0	54	-1.0	-40.10	405.59	8.80	-31.30
C(CC1=NN=C(N2CC3CCC(C3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292085	1	54	-1.0	-40.10	405.65	8.82	-31.28
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC(C3)C2)N1CC1CCCCO1	REAL300020292086	0	51	-1.0	-44.42	383.64	8.39	-36.03
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC(C3)C2)N1CC1CCCCO1	REAL300020292086	1	51	-1.0	-44.41	383.69	8.41	-36.00
C1=CN=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CCC2=N1	REAL300020292087	0	52	-1.0	-42.25	414.56	5.79	-36.46
C1=CN=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CCC2=N1	REAL300020292087	1	52	-1.0	-42.26	414.63	5.80	-36.46
C1=CN=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCC2=N1	REAL300020292088	0	49	-1.0	-44.74	395.54	4.97	-39.77
C1=CN=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCC2=N1	REAL300020292088	1	49	-1.0	-44.81	395.59	5.00	-39.81
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292089	0	54	-1.0	-43.86	425.63	9.39	-34.47
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292089	1	54	-1.0	-43.91	425.68	9.41	-34.50
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292090	0	51	-1.0	-44.79	395.02	8.16	-36.63
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292090	1	51	-1.0	-44.77	394.97	8.15	-36.62
CN(CC(=O)N1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292091	0	54	-1.0	-45.33	427.25	6.23	-39.10
CN(CC(=O)N1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292091	1	54	-1.0	-45.32	427.30	6.26	-39.06
CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292092	0	53	-1.0	-42.54	412.14	7.67	-34.87
CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292092	1	53	-1.0	-42.55	412.20	7.68	-34.87
CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292093	0	50	-1.0	-46.44	393.61	7.14	-39.30
CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292093	1	50	-1.0	-46.45	393.66	7.17	-39.28
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292094	0	56	-1.0	-42.10	430.73	9.26	-32.84
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292094	1	56	-1.0	-42.09	430.78	9.28	-32.81
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292095	0	56	-1.0	-42.08	431.89	9.34	-32.74
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292095	1	56	-1.0	-42.06	431.94	9.35	-32.71
C(CC1=NN=C(N2CCCC3(CC3)CC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292096	0	57	-1.0	-45.28	419.09	8.68	-36.60
C(CC1=NN=C(N2CCCC3(CC3)CC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292096	1	57	-1.0	-45.27	419.15	8.69	-36.58
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CC3)CC2)N1CC1CCCCO1	REAL300020292097	0	54	-1.0	-43.83	396.74	8.44	-35.39
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CC3)CC2)N1CC1CCCCO1	REAL300020292097	1	54	-1.0	-43.81	396.80	8.46	-35.35
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292098	0	57	-1.0	-44.24	436.66	9.29	-34.95
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292098	1	57	-1.0	-44.26	436.72	9.32	-34.94
COCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292099	0	55	-1.0	-43.41	429.50	5.37	-38.04
COCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292099	1	55	-1.0	-43.43	429.56	5.39	-38.04
NC(=O)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292100	0	52	-1.0	-52.04	401.52	3.36	-48.68
NC(=O)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292100	1	52	-1.0	-52.05	401.57	3.36	-48.69
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C2=CC=CC=C21	REAL300020292101	0	54	-1.0	-48.68	415.49	11.72	-36.96
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C2=CC=CC=C21	REAL300020292101	1	54	-1.0	-48.64	415.43	11.69	-36.95
CC1CC(F)(F)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292102	0	53	-1.0	-42.95	401.95	6.79	-36.16
CC1CC(F)(F)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292102	1	53	-1.0	-42.90	402.01	6.81	-36.09
CC1CC(F)(F)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292103	0	50	-1.0	-45.30	390.79	6.97	-38.33
CC1CC(F)(F)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292103	1	50	-1.0	-45.27	390.85	6.97	-38.30
OC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292104	0	52	-1.0	-44.41	409.96	5.02	-39.39
OC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292104	1	52	-1.0	-44.42	410.02	5.05	-39.37
CCON1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292105	0	56	-1.0	-39.58	443.06	6.04	-33.54
CCON1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292105	1	56	-1.0	-39.61	443.12	6.06	-33.55
CCON1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292106	0	53	-1.0	-42.64	420.01	5.27	-37.37
CCON1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292106	1	53	-1.0	-42.65	420.06	5.30	-37.35
FCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292107	0	56	-1.0	-43.97	429.79	8.84	-35.13
FCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292107	1	56	-1.0	-43.97	429.85	8.86	-35.11
FCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292108	0	53	-1.0	-49.87	402.08	8.63	-41.24
FCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292108	1	53	-1.0	-49.88	402.15	8.64	-41.24
CCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292109	0	55	-1.0	-43.68	435.88	5.24	-38.44
CCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292109	1	55	-1.0	-43.70	435.94	5.28	-38.42
CSC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292110	0	54	-1.0	-42.49	425.71	8.48	-34.01
CSC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292110	1	54	-1.0	-42.49	425.77	8.50	-33.99
CSC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292111	0	51	-1.0	-48.29	398.00	8.27	-40.02
CSC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292111	1	51	-1.0	-48.31	398.07	8.28	-40.03
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020292112	0	54	-1.0	-44.08	423.47	4.05	-40.03
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020292112	1	54	-1.0	-44.12	423.52	4.06	-40.06
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020292113	0	51	-1.0	-47.37	405.65	3.21	-44.16
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020292113	1	51	-1.0	-47.35	405.71	3.24	-44.11
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292114	0	54	-1.0	-52.82	418.34	5.68	-47.14
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292114	1	54	-1.0	-52.84	418.41	5.70	-47.14
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCC1C#N	REAL300020292115	0	54	-1.0	-48.18	428.28	7.83	-40.35
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCC1C#N	REAL300020292115	1	54	-1.0	-48.16	428.34	7.84	-40.32
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCC1C#N	REAL300020292116	0	51	-1.0	-45.73	398.78	7.69	-38.04
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCC1C#N	REAL300020292116	1	51	-1.0	-45.69	398.84	7.72	-37.97
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=C1	REAL300020292117	0	54	-1.0	-43.53	430.67	7.57	-35.96
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=C1	REAL300020292117	1	54	-1.0	-43.53	430.72	7.60	-35.93
C(CC1=NN=C(N2CC3CCC(C2)O3)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292118	0	52	-1.0	-44.38	396.47	6.62	-37.76
C(CC1=NN=C(N2CC3CCC(C2)O3)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292118	1	52	-1.0	-44.40	396.53	6.64	-37.76
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC(C2)O3)N1CC1CCCCO1	REAL300020292119	0	49	-1.0	-49.62	369.86	6.38	-43.24
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC(C2)O3)N1CC1CCCCO1	REAL300020292119	1	49	-1.0	-49.60	369.90	6.39	-43.21
FCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292120	0	54	-1.0	-44.41	428.94	6.62	-37.79
FCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292120	1	54	-1.0	-44.38	429.00	6.64	-37.74
FCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292121	0	51	-1.0	-49.00	392.13	6.66	-42.34
FCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292121	1	51	-1.0	-49.02	392.17	6.66	-42.36
COC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292122	0	57	-1.0	-41.33	431.49	6.86	-34.47
COC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292122	1	57	-1.0	-41.37	431.55	6.88	-34.49
COC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292123	0	54	-1.0	-45.30	417.56	5.43	-39.87
COC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292123	1	54	-1.0	-45.28	417.62	5.46	-39.82
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCS1(=O)=O	REAL300020292124	0	50	-1.0	-48.93	402.56	3.46	-45.47
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCS1(=O)=O	REAL300020292124	1	50	-1.0	-48.96	402.62	3.49	-45.47
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCN1C1CC1	REAL300020292125	0	54	-1.0	-47.31	402.94	5.46	-41.85
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCN1C1CC1	REAL300020292125	1	54	-1.0	-47.34	403.02	5.47	-41.87
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292126	0	52	-1.0	-49.77	405.79	6.98	-42.79
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292126	1	52	-1.0	-49.81	405.73	6.95	-42.86
CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C=N1	REAL300020292127	0	47	-1.0	-46.88	384.75	7.34	-39.54
CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C=N1	REAL300020292127	1	47	-1.0	-46.87	384.69	7.32	-39.55
CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=N1	REAL300020292128	0	44	-1.0	-51.62	357.94	6.65	-44.97
CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=N1	REAL300020292128	1	44	-1.0	-51.60	357.88	6.64	-44.96
C1=CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)C[C@@H]2C1	REAL300020292129	0	55	-1.0	-43.62	413.24	9.29	-34.33
C1=CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)C[C@@H]2C1	REAL300020292129	1	55	-1.0	-43.61	413.30	9.31	-34.30
C1=CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C[C@@H]2C1	REAL300020292130	0	52	-1.0	-46.42	391.98	7.85	-38.57
C1=CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C[C@@H]2C1	REAL300020292130	1	52	-1.0	-46.42	392.03	7.87	-38.55
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CSCC3C2)N1CC1CCCCO1	REAL300020292131	0	52	-1.0	-49.11	396.95	8.76	-40.35
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CSCC3C2)N1CC1CCCCO1	REAL300020292131	1	52	-1.0	-49.14	396.97	8.77	-40.37
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCC21	REAL300020292132	0	57	0.0	-78.75	402.27	8.14	-70.61
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCC21	REAL300020292132	1	57	0.0	-65.46	431.34	8.07	-57.39
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCC21	REAL300020292132	1	57	0.0	-78.76	402.30	8.14	-70.62
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCC21	REAL300020292132	1	57	0.0	-65.46	431.40	8.10	-57.36
N#CCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292133	0	53	-1.0	-47.81	423.04	5.24	-42.57
N#CCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292133	1	53	-1.0	-47.84	423.10	5.27	-42.57
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC[N@@H+]1C	REAL300020292134	0	59	0.0	-66.45	431.64	8.07	-58.38
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC[N@H+]1C	REAL300020292134	1	59	0.0	-65.51	427.57	7.75	-57.76
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC[N@@H+]1C	REAL300020292134	1	59	0.0	-66.44	431.67	8.11	-58.33
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC[N@H+]1C	REAL300020292134	1	59	0.0	-65.50	427.63	7.75	-57.75
FC(F)COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292135	0	51	-1.0	-50.78	418.04	5.69	-45.09
FC(F)COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292135	1	51	-1.0	-50.73	418.10	5.71	-45.02
FC(F)COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292136	0	48	-1.0	-52.53	394.39	4.84	-47.69
FC(F)COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292136	1	48	-1.0	-52.54	394.45	4.86	-47.68
FCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020292137	0	50	-1.0	-43.47	407.78	9.16	-34.31
FCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020292137	1	50	-1.0	-43.46	407.73	9.15	-34.31
FCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020292138	0	47	-1.0	-47.30	385.86	8.63	-38.67
FCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020292138	1	47	-1.0	-47.32	385.80	8.61	-38.71
CC1CC(CO)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292139	0	57	-1.0	-42.64	436.10	4.81	-37.83
CC1CC(CO)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292139	1	57	-1.0	-42.64	436.16	4.82	-37.82
CC1CC(CO)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292140	0	54	-1.0	-44.53	411.39	4.00	-40.53
CC1CC(CO)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292140	1	54	-1.0	-44.52	411.45	4.03	-40.49
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292141	0	52	-1.0	-49.77	405.79	6.98	-42.79
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292141	1	52	-1.0	-49.81	405.73	6.95	-42.86
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292142	0	54	-1.0	-45.35	417.53	11.99	-33.36
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292142	1	54	-1.0	-45.33	417.60	12.00	-33.33
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292143	0	51	-1.0	-50.56	394.71	11.07	-39.49
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292143	1	51	-1.0	-50.57	394.65	11.04	-39.53
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCS1	REAL300020292144	0	51	-1.0	-42.30	405.08	7.93	-34.37
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCS1	REAL300020292144	1	51	-1.0	-42.27	405.13	7.95	-34.32
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCS1	REAL300020292145	0	48	-1.0	-42.60	383.22	7.17	-35.43
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCS1	REAL300020292145	1	48	-1.0	-42.58	383.28	7.20	-35.38
C(CC1=NN=C(N2CC3(C2)OCC2CC23)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292146	0	53	-1.0	-41.29	419.74	6.12	-35.17
C(CC1=NN=C(N2CC3(C2)OCC2CC23)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292146	1	53	-1.0	-41.28	419.79	6.14	-35.14
C(C1=N[N-]N=N1)C1=NN=C(N2CC3(C2)OCC2CC23)N1CC1CCCCO1	REAL300020292147	0	50	-1.0	-46.11	394.79	5.54	-40.57
C(C1=NN=N[N-]1)C1=NN=C(N2CC3(C2)OCC2CC23)N1CC1CCCCO1	REAL300020292147	1	50	-1.0	-46.13	394.84	5.56	-40.57
C1=CC2CC1CN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292148	0	49	-1.0	-44.28	379.90	7.29	-36.99
C1=CC2CC1CN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292148	1	49	-1.0	-44.25	379.96	7.30	-36.95
C1=CC2CC1CN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292149	0	46	-1.0	-46.07	357.95	6.59	-39.48
C1=CC2CC1CN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292149	1	46	-1.0	-46.07	357.90	6.57	-39.50
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292150	0	55	-1.0	-42.73	421.73	9.50	-33.23
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292150	1	55	-1.0	-42.74	421.79	9.51	-33.23
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292151	0	52	-1.0	-47.82	384.90	8.34	-39.48
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292151	1	52	-1.0	-47.76	384.96	8.36	-39.40
CN(CC1=CC=NS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292152	0	49	-1.0	-43.03	403.71	7.03	-36.00
CN(CC1=CC=NS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292152	1	49	-1.0	-43.04	403.76	7.04	-36.00
CN(CC1=CC=NS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292153	0	46	-1.0	-43.57	388.70	6.04	-37.53
CN(CC1=CC=NS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292153	1	46	-1.0	-43.59	388.75	6.07	-37.52
FCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292154	0	50	-1.0	-43.85	389.26	7.46	-36.39
FCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292154	1	50	-1.0	-43.85	389.31	7.48	-36.37
FCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292155	0	47	-1.0	-45.73	365.70	6.60	-39.13
FCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292155	1	47	-1.0	-45.69	365.76	6.61	-39.08
FCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292156	0	53	-1.0	-42.64	411.06	8.15	-34.49
FCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292156	1	53	-1.0	-42.66	411.11	8.17	-34.49
FCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292157	0	50	-1.0	-45.78	389.16	7.35	-38.43
FCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292157	1	50	-1.0	-45.80	389.21	7.37	-38.43
FC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292158	0	50	-1.0	-42.12	390.35	7.53	-34.59
FC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292158	1	50	-1.0	-42.16	390.41	7.54	-34.62
FC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292159	0	47	-1.0	-40.81	375.90	6.62	-34.19
FC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292159	1	47	-1.0	-40.78	375.96	6.65	-34.13
COC1COCCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292160	0	55	-1.0	-44.05	415.21	4.48	-39.57
COC1COCCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292160	1	55	-1.0	-44.10	415.27	4.51	-39.59
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292161	0	59	0.0	-75.61	413.13	7.90	-67.71
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292161	1	59	0.0	-69.06	430.11	8.51	-60.55
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020292161	1	58	-1.0	-42.65	411.21	5.63	-37.02
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292161	1	58	-1.0	-42.66	411.26	5.64	-37.02
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020292162	0	56	0.0	-59.37	416.52	7.44	-51.93
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020292162	1	56	0.0	-65.19	415.05	7.45	-57.74
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292162	1	56	0.0	-59.35	416.58	7.47	-51.88
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292162	1	56	0.0	-65.17	415.10	7.47	-57.70
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020292162	1	55	-1.0	-44.51	407.60	5.32	-39.19
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCCN1	REAL300020292163	0	51	-1.0	-45.76	397.67	4.10	-41.66
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCCN1	REAL300020292163	1	51	-1.0	-45.75	397.73	4.12	-41.63
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCCN1	REAL300020292164	0	48	-1.0	-47.55	378.49	3.27	-44.28
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCCN1	REAL300020292164	1	48	-1.0	-47.54	378.54	3.29	-44.25
C(CC1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292165	0	52	-1.0	-44.68	392.57	5.56	-39.12
C(CC1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292165	1	52	-1.0	-44.62	392.63	5.57	-39.05
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1CC1CCCCO1	REAL300020292166	0	49	-1.0	-46.11	371.08	4.77	-41.34
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1CC1CCCCO1	REAL300020292166	1	49	-1.0	-46.11	371.14	4.80	-41.31
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC2=CC=CC=C21	REAL300020292167	0	54	-1.0	-43.41	424.77	9.03	-34.38
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC2=CC=CC=C21	REAL300020292167	1	54	-1.0	-43.40	424.83	9.05	-34.35
FC(F)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292168	0	51	-1.0	-46.83	407.76	5.97	-40.86
FC(F)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292168	1	51	-1.0	-46.84	407.82	5.99	-40.85
FC(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292169	0	48	-1.0	-48.33	378.42	5.96	-42.37
FC(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292169	1	48	-1.0	-48.36	378.45	5.96	-42.40
CC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292170	0	55	-1.0	-45.70	427.79	7.90	-37.80
CC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292170	1	55	-1.0	-45.73	427.85	7.92	-37.81
CC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292171	0	52	-1.0	-52.92	400.30	7.70	-45.22
CC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292171	1	52	-1.0	-52.90	400.37	7.71	-45.19
CC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292172	0	55	-1.0	-51.08	428.06	7.90	-43.18
CC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292172	1	55	-1.0	-51.12	428.12	7.91	-43.21
CC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292173	0	52	-1.0	-53.96	407.97	7.25	-46.71
CC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292173	1	52	-1.0	-54.01	408.02	7.27	-46.74
CC(C)(O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292174	0	57	-1.0	-49.28	426.51	5.42	-43.86
CC(C)(O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292174	1	57	-1.0	-49.24	426.56	5.44	-43.80
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C(C)(C)C	REAL300020292175	0	61	-1.0	-43.37	446.13	9.34	-34.03
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C(C)(C)C	REAL300020292175	1	61	-1.0	-43.37	446.19	9.35	-34.02
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C(C)(C)C	REAL300020292176	0	58	-1.0	-42.72	431.24	8.39	-34.33
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C(C)(C)C	REAL300020292176	1	58	-1.0	-42.75	431.30	8.41	-34.34
OCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292177	0	55	-1.0	-42.86	429.99	3.15	-39.71
OCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292177	1	55	-1.0	-42.82	430.05	3.16	-39.66
OCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292178	0	52	-1.0	-44.84	413.27	2.49	-42.35
OCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292178	1	52	-1.0	-44.85	413.33	2.52	-42.33
OCC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292179	0	55	-1.0	-45.40	415.79	2.50	-42.90
OCC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292179	1	55	-1.0	-45.44	415.87	2.52	-42.92
C1=CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020292180	0	52	-1.0	-40.94	410.62	8.34	-32.60
C1=CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020292180	1	52	-1.0	-40.97	410.68	8.36	-32.61
C1=CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020292181	0	49	-1.0	-43.03	391.51	7.51	-35.52
C1=CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020292181	1	49	-1.0	-42.98	391.45	7.49	-35.49
N#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292182	0	51	-1.0	-47.71	404.20	7.70	-40.01
N#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292182	1	51	-1.0	-47.74	404.25	7.71	-40.03
N#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292183	0	48	-1.0	-48.86	382.64	6.92	-41.94
N#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292183	1	48	-1.0	-48.85	382.70	6.94	-41.91
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCO3)C2)N1CC1CCCCO1	REAL300020292184	0	55	-1.0	-47.16	420.21	6.68	-40.48
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCO3)C2)N1CC1CCCCO1	REAL300020292184	1	55	-1.0	-47.14	420.27	6.71	-40.43
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292185	0	52	-1.0	-47.95	409.31	3.74	-44.21
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292185	1	52	-1.0	-47.96	409.36	3.75	-44.21
C(CC1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292186	0	52	-1.0	-45.42	392.21	5.77	-39.65
C(CC1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292186	1	52	-1.0	-45.39	392.27	5.79	-39.60
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1CC1CCCCO1	REAL300020292187	0	49	-1.0	-48.24	377.78	5.04	-43.20
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1CC1CCCCO1	REAL300020292187	1	49	-1.0	-48.25	377.83	5.06	-43.19
FC[C@]12CC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292188	0	54	-1.0	-41.99	416.57	8.28	-33.71
FC[C@]12CC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292188	1	54	-1.0	-42.00	416.63	8.30	-33.70
FC[C@]12CC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292189	0	51	-1.0	-49.68	385.04	8.14	-41.54
FC[C@]12CC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292189	1	51	-1.0	-49.64	385.09	8.14	-41.50
C(CC1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292190	0	52	-1.0	-44.58	402.84	7.81	-36.77
C(CC1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292190	1	52	-1.0	-44.55	402.90	7.83	-36.72
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1CC1CCCCO1	REAL300020292191	0	49	-1.0	-45.86	381.39	7.02	-38.84
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1CC1CCCCO1	REAL300020292191	1	49	-1.0	-45.88	381.45	7.05	-38.83
FC(F)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCC1	REAL300020292192	0	53	-1.0	-43.99	408.80	7.60	-36.39
FC(F)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCC1	REAL300020292192	1	53	-1.0	-44.02	408.85	7.62	-36.40
FC(F)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCC1	REAL300020292193	0	50	-1.0	-49.16	375.50	7.55	-41.61
FC(F)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCC1	REAL300020292193	1	50	-1.0	-49.16	375.54	7.56	-41.60
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292194	0	54	-1.0	-42.42	416.63	6.45	-35.97
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292194	1	54	-1.0	-42.41	416.68	6.46	-35.95
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292195	0	51	-1.0	-48.14	388.92	6.24	-41.90
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292195	1	51	-1.0	-48.18	388.98	6.24	-41.94
C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CCCN2N=N1	REAL300020292196	0	53	-1.0	-45.27	420.16	5.82	-39.45
C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CCCN2N=N1	REAL300020292196	1	53	-1.0	-45.23	420.22	5.83	-39.40
C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCCN2N=N1	REAL300020292197	0	50	-1.0	-44.99	393.70	5.29	-39.70
C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCCN2N=N1	REAL300020292197	1	50	-1.0	-44.98	393.76	5.31	-39.67
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292198	0	59	-1.0	-41.31	434.31	8.68	-32.63
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292198	1	59	-1.0	-41.31	434.36	8.70	-32.61
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292199	0	56	-1.0	-46.11	407.16	8.05	-38.06
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292199	1	56	-1.0	-46.11	407.21	8.07	-38.04
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292200	0	55	-1.0	-51.05	418.19	5.92	-45.13
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292200	1	55	-1.0	-51.07	418.23	5.93	-45.14
CN(CCCF)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292201	0	49	-1.0	-42.59	393.77	6.92	-35.67
CN(CCCF)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292201	1	49	-1.0	-42.59	393.82	6.93	-35.66
CN(CCCF)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292202	0	46	-1.0	-47.62	358.74	6.89	-40.73
CN(CCCF)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292202	1	46	-1.0	-47.58	358.72	6.92	-40.66
C1=NN(C2CCCC2)C=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292203	0	54	-1.0	-50.41	422.94	9.39	-41.02
C1=NN(C2CCCC2)C=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292203	1	54	-1.0	-50.42	422.88	9.37	-41.05
FC(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC12CC2	REAL300020292204	0	51	-1.0	-45.91	402.60	7.64	-38.27
FC(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC12CC2	REAL300020292204	1	51	-1.0	-45.95	402.66	7.67	-38.28
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292205	0	53	-1.0	-49.72	421.48	6.19	-43.53
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292205	1	53	-1.0	-49.71	421.53	6.20	-43.51
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292206	0	50	-1.0	-45.80	407.95	5.13	-40.67
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292206	1	50	-1.0	-45.78	408.00	5.15	-40.63
C1=NN(C2CCC2)C=C1NC1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292207	0	54	-1.0	-46.11	430.11	9.32	-36.79
C1=NN(C2CCC2)C=C1NC1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292207	1	54	-1.0	-46.07	430.05	9.30	-36.77
C1=NN(C2CCC2)C=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292208	0	51	-1.0	-50.92	403.31	8.63	-42.29
C1=NN(C2CCC2)C=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292208	1	51	-1.0	-50.94	403.26	8.62	-42.32
C(CC1=NN=C(N2CCC3CCC(C3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292209	0	57	-1.0	-42.69	417.46	9.81	-32.88
C(CC1=NN=C(N2CCC3CCC(C3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292209	1	57	-1.0	-42.64	417.50	9.83	-32.81
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCC(C3)C2)N1CC1CCCCO1	REAL300020292210	0	54	-1.0	-49.34	379.99	9.10	-40.24
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCC(C3)C2)N1CC1CCCCO1	REAL300020292210	1	54	-1.0	-49.32	380.03	9.10	-40.22
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C[C@]2(C)C1	REAL300020292211	0	57	0.0	-72.60	419.93	7.56	-65.04
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C[C@]2(C)C1	REAL300020292211	1	57	0.0	-71.37	425.01	8.19	-63.18
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C[C@]2(C)C1	REAL300020292211	1	57	0.0	-72.64	419.99	7.57	-65.07
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C[C@]2(C)C1	REAL300020292211	1	57	0.0	-71.33	425.07	8.22	-63.11
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292212	0	56	-1.0	-45.65	420.78	9.18	-36.47
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292212	1	56	-1.0	-45.64	420.83	9.19	-36.45
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292213	0	48	-1.0	-44.80	408.40	7.93	-36.87
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292213	1	48	-1.0	-44.78	408.46	7.95	-36.83
C(CC1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292214	0	51	-1.0	-43.93	391.45	7.77	-36.16
C(CC1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292214	1	51	-1.0	-43.97	391.51	7.78	-36.19
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1CC1CCCCO1	REAL300020292215	0	48	-1.0	-44.82	366.01	7.11	-37.71
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1CC1CCCCO1	REAL300020292215	1	48	-1.0	-44.79	366.07	7.14	-37.65
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020292216	0	56	-1.0	-45.38	407.68	8.96	-36.42
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020292216	1	56	-1.0	-45.40	407.75	8.98	-36.42
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020292217	0	58	-1.0	-44.56	421.78	8.46	-36.10
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020292217	1	58	-1.0	-44.57	421.84	8.49	-36.08
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2OCCO2)N1CC1CCCCO1	REAL300020292218	0	53	-1.0	-47.49	412.39	5.40	-42.09
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2OCCO2)N1CC1CCCCO1	REAL300020292218	1	53	-1.0	-47.50	412.45	5.43	-42.07
CN1N=NC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292219	0	53	-1.0	-49.13	406.03	5.71	-43.42
CN1N=NC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292219	1	53	-1.0	-49.16	406.10	5.74	-43.42
CN1N=NC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292220	0	50	-1.0	-53.76	394.60	4.80	-48.96
CN1N=NC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292220	1	50	-1.0	-53.75	394.65	4.82	-48.93
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292221	0	53	-1.0	-44.54	419.35	7.31	-37.23
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292221	1	53	-1.0	-44.51	419.41	7.34	-37.17
NC(=O)C12CCC(CC1)N2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292222	0	52	-1.0	-49.98	399.92	2.85	-47.13
NC(=O)C12CCC(CC1)N2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292222	1	52	-1.0	-49.95	399.97	2.87	-47.08
CSCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292223	0	54	-1.0	-43.75	433.21	8.29	-35.46
CSCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292223	1	54	-1.0	-43.76	433.27	8.32	-35.44
CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292224	0	54	-1.0	-41.92	421.87	6.36	-35.56
CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292224	1	54	-1.0	-41.89	421.92	6.38	-35.51
CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292225	0	51	-1.0	-47.99	397.52	5.86	-42.13
CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292225	1	51	-1.0	-48.03	397.58	5.89	-42.14
CCN(CCC(=O)NC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292226	0	56	-1.0	-54.23	435.32	4.36	-49.87
CCN(CCC(=O)NC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292226	1	56	-1.0	-54.20	435.38	4.37	-49.83
CCN(CCC(=O)NC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292227	0	53	-1.0	-59.15	408.05	4.42	-54.73
CCN(CCC(=O)NC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292227	1	53	-1.0	-59.20	408.09	4.45	-54.75
FC1(C2CC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292228	0	54	-1.0	-44.00	414.89	8.60	-35.40
FC1(C2CC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292228	1	54	-1.0	-43.97	414.95	8.62	-35.35
C1=CC2=C(CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2)S1	REAL300020292229	0	48	-1.0	-44.15	388.47	6.73	-37.42
C1=CC2=C(CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2)S1	REAL300020292229	1	48	-1.0	-44.16	388.54	6.76	-37.40
C#CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292230	0	54	-1.0	-40.23	431.85	8.65	-31.58
C#CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292230	1	54	-1.0	-40.22	431.91	8.67	-31.55
C#CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292231	0	51	-1.0	-44.21	407.47	7.70	-36.51
C#CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292231	1	51	-1.0	-44.24	407.54	7.73	-36.51
C=CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292232	0	57	-1.0	-44.56	432.57	8.67	-35.89
C=CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292232	1	57	-1.0	-44.56	432.65	8.69	-35.87
C=CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292233	0	54	-1.0	-46.05	413.90	7.56	-38.49
C=CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292233	1	54	-1.0	-46.12	413.95	7.59	-38.53
FC1(F)CCC2CC1CN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292234	0	51	-1.0	-47.15	373.79	6.57	-40.58
FC1(F)CCC2CC1CN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292234	1	51	-1.0	-47.19	373.84	6.59	-40.60
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292235	0	57	-1.0	-44.15	425.63	9.11	-35.04
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292235	1	57	-1.0	-44.11	425.69	9.12	-34.99
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292236	0	54	-1.0	-45.85	404.94	8.27	-37.58
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292236	1	54	-1.0	-45.86	404.99	8.29	-37.57
C#CCN(CCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292237	0	49	-1.0	-41.02	396.72	3.65	-37.37
C#CCN(CCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292237	1	49	-1.0	-41.01	396.78	3.66	-37.35
C#CCN(CCO)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292238	0	46	-1.0	-42.20	379.19	3.05	-39.15
C#CCN(CCO)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292238	1	46	-1.0	-42.25	379.25	3.06	-39.19
C(CC1=NN=C(N2CCC3CCCC32)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292239	0	54	-1.0	-43.44	411.74	8.47	-34.97
C(CC1=NN=C(N2CCC3CCCC32)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292239	1	54	-1.0	-43.44	411.80	8.48	-34.96
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCC32)N1CC1CCCCO1	REAL300020292240	0	51	-1.0	-47.48	381.13	7.74	-39.74
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCC32)N1CC1CCCCO1	REAL300020292240	1	51	-1.0	-47.47	381.18	7.77	-39.70
CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292241	0	56	-1.0	-44.07	417.56	8.15	-35.92
CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292241	1	56	-1.0	-44.09	417.61	8.17	-35.92
CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292242	0	53	-1.0	-44.06	399.14	7.25	-36.81
CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292242	1	53	-1.0	-44.00	399.19	7.27	-36.73
C1=NN(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)N=C1	REAL300020292243	0	53	-1.0	-46.80	406.24	5.51	-41.29
C1=NN(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)N=C1	REAL300020292243	1	53	-1.0	-46.77	406.18	5.49	-41.28
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCO3)CC2)N1CC1CCCCO1	REAL300020292244	0	55	-1.0	-48.38	418.39	7.00	-41.38
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCCO3)CC2)N1CC1CCCCO1	REAL300020292244	1	55	-1.0	-48.39	418.44	7.01	-41.38
C#CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292245	0	53	-1.0	-49.90	416.55	7.75	-42.15
C#CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292245	1	53	-1.0	-49.95	416.62	7.75	-42.20
O=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCCN1	REAL300020292246	0	54	-1.0	-40.63	395.00	3.52	-37.11
O=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCCN1	REAL300020292246	1	54	-1.0	-40.58	395.05	3.54	-37.04
O=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCCN1	REAL300020292247	0	51	-1.0	-50.49	366.73	3.19	-47.30
O=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCCN1	REAL300020292247	1	51	-1.0	-50.51	366.79	3.22	-47.29
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CSCC(C3)C2)N1CC1CCCCO1	REAL300020292248	0	52	-1.0	-47.34	396.71	9.26	-38.08
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CSCC(C3)C2)N1CC1CCCCO1	REAL300020292248	1	52	-1.0	-47.30	396.77	9.28	-38.02
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C[C@@H]1F	REAL300020292249	0	54	-1.0	-41.18	428.77	6.58	-34.60
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C[C@@H]1F	REAL300020292249	1	54	-1.0	-41.23	428.83	6.60	-34.63
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C[C@@H]1F	REAL300020292250	0	51	-1.0	-43.55	406.04	5.66	-37.89
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C[C@@H]1F	REAL300020292250	1	51	-1.0	-43.51	406.09	5.68	-37.83
COC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292251	0	53	-1.0	-47.64	412.70	7.14	-40.50
COC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292251	1	53	-1.0	-47.62	412.76	7.16	-40.46
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2=C1	REAL300020292252	0	52	-1.0	-51.91	405.04	9.90	-42.01
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2=C1	REAL300020292252	1	52	-1.0	-51.89	404.98	9.87	-42.02
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020292253	0	59	0.0	-57.37	433.91	8.24	-49.13
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020292253	1	59	0.0	-64.69	427.34	8.19	-56.50
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292253	1	59	0.0	-57.34	433.96	8.26	-49.08
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292253	1	59	0.0	-64.69	427.38	8.22	-56.47
C[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292254	0	51	-1.0	-43.57	394.88	7.86	-35.71
C[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292254	1	51	-1.0	-43.56	394.93	7.87	-35.69
C[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292255	0	48	-1.0	-43.29	376.71	6.91	-36.38
C[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292255	1	48	-1.0	-43.28	376.76	6.94	-36.34
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC3(CCC3)C2)N1CC1CCCCO1	REAL300020292256	0	57	-1.0	-44.99	414.02	8.66	-36.33
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC3(CCC3)C2)N1CC1CCCCO1	REAL300020292256	1	57	-1.0	-45.03	414.07	8.68	-36.35
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020292257	0	54	-1.0	-49.40	413.20	6.90	-42.50
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020292257	1	54	-1.0	-49.42	413.22	6.92	-42.50
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020292258	0	51	-1.0	-49.88	401.97	6.10	-43.78
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020292258	1	51	-1.0	-49.87	402.02	6.13	-43.74
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCC1	REAL300020292259	0	58	-1.0	-44.31	446.22	9.01	-35.30
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCC1	REAL300020292259	1	58	-1.0	-44.33	446.27	9.03	-35.30
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCCC1	REAL300020292260	0	55	-1.0	-45.74	414.88	8.91	-36.83
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCCC1	REAL300020292260	1	55	-1.0	-45.79	414.93	8.93	-36.86
FC1(F)CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C[C@@H]21	REAL300020292261	0	51	-1.0	-46.95	393.70	7.69	-39.26
FC1(F)CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C[C@@H]21	REAL300020292261	1	51	-1.0	-46.99	393.76	7.72	-39.27
C=CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292262	0	56	-1.0	-43.78	431.54	8.16	-35.62
C=CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292262	1	56	-1.0	-43.74	431.60	8.18	-35.56
C=CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292263	0	53	-1.0	-44.61	416.53	7.75	-36.86
C=CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292263	1	53	-1.0	-44.63	416.58	7.77	-36.86
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292264	0	52	-1.0	-41.68	411.88	7.45	-34.23
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292264	1	52	-1.0	-41.69	411.94	7.48	-34.21
C#CC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292265	0	49	-1.0	-41.93	389.04	6.79	-35.14
C#CC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292265	1	49	-1.0	-41.92	389.09	6.81	-35.11
C#CC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292266	0	46	-1.0	-46.18	368.48	6.00	-40.18
C#CC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292266	1	46	-1.0	-46.17	368.42	5.98	-40.19
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292267	0	54	-1.0	-46.93	411.31	8.55	-38.38
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292267	1	54	-1.0	-46.88	411.25	8.52	-38.36
C#CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292268	0	52	-1.0	-42.93	406.83	8.01	-34.92
C#CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292268	1	52	-1.0	-42.96	406.88	8.03	-34.93
C#CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292269	0	49	-1.0	-43.78	394.27	7.00	-36.78
C#CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292269	1	49	-1.0	-43.77	394.32	7.03	-36.74
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292270	0	54	-1.0	-44.37	417.96	4.72	-39.65
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292270	1	54	-1.0	-44.42	418.02	4.73	-39.69
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292271	0	51	-1.0	-54.14	397.29	4.17	-49.97
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292271	1	51	-1.0	-54.13	397.34	4.19	-49.94
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292272	0	54	-1.0	-47.61	418.47	12.03	-35.58
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292272	1	54	-1.0	-47.62	418.41	12.01	-35.61
C(CC1=NN=C(N2C[C@@H]3CCC[C@@H]3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292273	0	54	-1.0	-44.03	402.09	8.12	-35.91
C(CC1=NN=C(N2C[C@@H]3CCC[C@@H]3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292273	1	54	-1.0	-44.02	402.15	8.13	-35.89
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CCC[C@@H]3C2)N1CC1CCCCO1	REAL300020292274	0	51	-1.0	-45.27	383.25	7.48	-37.79
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CCC[C@@H]3C2)N1CC1CCCCO1	REAL300020292274	1	51	-1.0	-45.25	383.30	7.50	-37.75
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292275	0	48	-1.0	-41.13	379.96	6.93	-34.20
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292275	1	48	-1.0	-41.12	380.02	6.94	-34.18
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292276	0	45	-1.0	-43.95	359.04	6.29	-37.66
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292276	1	45	-1.0	-43.93	358.98	6.27	-37.66
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CCCCO2)C1	REAL300020292277	0	52	-1.0	-45.48	392.86	8.75	-36.73
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CCCCO2)C1	REAL300020292277	1	52	-1.0	-45.41	392.89	8.75	-36.66
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292278	0	53	-1.0	-50.14	411.88	1.57	-48.57
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292278	1	53	-1.0	-50.14	411.94	1.60	-48.54
C(C1=N[N-]N=N1)C1=NN=C(N2CC34CCC3(COC4)C2)N1CC1CCCCO1	REAL300020292279	0	53	-1.0	-43.21	402.77	5.84	-37.37
C(C1=NN=N[N-]1)C1=NN=C(N2CC34CCC3(COC4)C2)N1CC1CCCCO1	REAL300020292279	1	53	-1.0	-43.21	402.83	5.86	-37.35
C=CCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292280	0	53	-1.0	-41.77	414.95	7.50	-34.27
C=CCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292280	1	53	-1.0	-41.75	415.01	7.52	-34.23
C=CCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292281	0	50	-1.0	-46.65	388.39	6.87	-39.78
C=CCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292281	1	50	-1.0	-46.67	388.33	6.84	-39.83
CN(CC1=NN(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292282	0	53	-1.0	-47.68	419.58	6.93	-40.75
CN(CC1=NN(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292282	1	53	-1.0	-47.71	419.64	6.94	-40.77
CN(CC1=NN(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292283	0	50	-1.0	-48.11	407.16	5.91	-42.20
CN(CC1=NN(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292283	1	50	-1.0	-48.09	407.22	5.93	-42.16
O=C1CCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C1C2	REAL300020292284	0	53	-1.0	-49.85	404.60	7.18	-42.67
O=C1CCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C1C2	REAL300020292284	1	53	-1.0	-49.91	404.65	7.21	-42.70
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCOCC1	REAL300020292285	0	54	-1.0	-45.07	405.93	6.14	-38.93
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCOCC1	REAL300020292285	1	54	-1.0	-45.09	405.98	6.15	-38.94
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCOCC1	REAL300020292286	0	51	-1.0	-49.20	381.14	5.78	-43.42
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCOCC1	REAL300020292286	1	51	-1.0	-49.20	381.18	5.80	-43.40
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)COCCO3)N1CC1CCCCO1	REAL300020292287	0	53	-1.0	-47.05	381.39	4.48	-42.57
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)COCCO3)N1CC1CCCCO1	REAL300020292287	1	53	-1.0	-47.08	381.36	4.52	-42.56
CC1CCC(F)(F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292288	0	53	-1.0	-40.45	422.03	7.24	-33.21
CC1CCC(F)(F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292288	1	53	-1.0	-40.45	422.09	7.26	-33.19
CC1CCC(F)(F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292289	0	50	-1.0	-45.15	394.74	6.47	-38.68
CC1CCC(F)(F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292289	1	50	-1.0	-45.16	394.80	6.49	-38.67
C(CC1=NN=C(N2CCC3(CCCO3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292290	0	55	-1.0	-47.84	413.25	6.83	-41.01
C(CC1=NN=C(N2CCC3(CCCO3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292290	1	55	-1.0	-47.81	413.31	6.84	-40.97
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCO3)C2)N1CC1CCCCO1	REAL300020292291	0	52	-1.0	-48.98	393.05	5.90	-43.08
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCCO3)C2)N1CC1CCCCO1	REAL300020292291	1	52	-1.0	-49.01	393.11	5.92	-43.09
CC1(C)COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292292	0	57	-1.0	-42.28	424.40	7.19	-35.09
CC1(C)COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292292	1	57	-1.0	-42.31	424.45	7.20	-35.11
CC1(C)COCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292293	0	54	-1.0	-43.06	402.93	6.40	-36.66
CC1(C)COCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292293	1	54	-1.0	-43.09	402.98	6.42	-36.67
C(CC1=NN=C(N2CCC3COCCC32)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292294	0	55	-1.0	-45.24	412.57	6.56	-38.68
C(CC1=NN=C(N2CCC3COCCC32)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292294	1	55	-1.0	-45.26	412.63	6.58	-38.68
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3COCCC32)N1CC1CCCCO1	REAL300020292295	0	52	-1.0	-47.28	392.60	5.54	-41.74
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3COCCC32)N1CC1CCCCO1	REAL300020292295	1	52	-1.0	-47.31	392.66	5.56	-41.75
C=CCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292296	0	56	-1.0	-42.68	442.99	8.90	-33.78
C=CCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292296	1	56	-1.0	-42.67	443.04	8.92	-33.75
C=CCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292297	0	53	-1.0	-48.38	407.96	8.88	-39.50
C=CCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292297	1	53	-1.0	-48.34	407.94	8.90	-39.44
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CC(F)(F)C1	REAL300020292298	0	50	-1.0	-43.89	403.35	7.50	-36.39
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CC(F)(F)C1	REAL300020292298	1	50	-1.0	-43.91	403.41	7.51	-36.40
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CC(F)(F)C1	REAL300020292299	0	47	-1.0	-44.65	379.20	7.00	-37.65
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CC(F)(F)C1	REAL300020292299	1	47	-1.0	-44.67	379.26	7.03	-37.64
COC1CCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292300	0	54	-1.0	-44.31	412.75	7.13	-37.18
COC1CCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292300	1	54	-1.0	-44.31	412.80	7.15	-37.16
COC1CCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292301	0	51	-1.0	-44.53	396.56	6.23	-38.30
COC1CCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292301	1	51	-1.0	-44.54	396.62	6.25	-38.29
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292302	0	55	-1.0	-46.00	427.23	6.96	-39.04
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292302	1	55	-1.0	-46.03	427.29	6.98	-39.05
C=CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292303	0	52	-1.0	-46.09	416.23	6.42	-39.67
C=CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292303	1	52	-1.0	-46.11	416.29	6.45	-39.66
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292304	0	55	-1.0	-44.07	430.65	9.25	-34.82
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292304	1	55	-1.0	-44.06	430.70	9.26	-34.80
C#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292305	0	52	-1.0	-43.89	416.20	8.35	-35.54
C#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292305	1	52	-1.0	-43.94	416.26	8.37	-35.57
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC[C@H]1C	REAL300020292306	0	57	-1.0	-41.39	438.33	7.09	-34.30
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC[C@H]1C	REAL300020292306	1	57	-1.0	-41.38	438.39	7.10	-34.28
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC[C@H]1C	REAL300020292307	0	54	-1.0	-45.18	415.47	6.36	-38.82
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC[C@H]1C	REAL300020292307	1	54	-1.0	-45.17	415.53	6.39	-38.78
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC(=O)N1	REAL300020292308	0	54	-1.0	-44.44	426.68	4.93	-39.51
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC(=O)N1	REAL300020292308	1	54	-1.0	-44.43	426.73	4.95	-39.48
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(=O)N1	REAL300020292309	0	51	-1.0	-43.87	397.26	4.30	-39.57
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(=O)N1	REAL300020292309	1	51	-1.0	-43.88	396.97	4.32	-39.56
CC(C)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292310	0	58	-1.0	-42.28	447.74	8.86	-33.42
CC(C)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292310	1	58	-1.0	-42.27	447.80	8.87	-33.40
CC(C)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292311	0	55	-1.0	-48.21	412.71	8.82	-39.39
CC(C)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292311	1	55	-1.0	-48.21	412.70	8.85	-39.36
CN(CCN1C=CN=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292312	0	53	-1.0	-48.49	427.57	8.60	-39.89
CN(CCN1C=CN=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292312	1	53	-1.0	-48.50	427.62	8.61	-39.89
CN(CCN1C=CN=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292313	0	50	-1.0	-49.97	402.69	7.85	-42.12
CN(CCN1C=CN=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292313	1	50	-1.0	-49.99	402.75	7.86	-42.13
CN(CC1CCSCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292314	0	54	-1.0	-44.41	423.62	8.52	-35.89
CN(CC1CCSCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292314	1	54	-1.0	-44.38	423.68	8.54	-35.84
CN(CC1=CN=CN1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292315	0	53	-1.0	-46.71	407.45	8.35	-38.36
CN(CC1=CN=CN1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292315	1	53	-1.0	-46.66	407.52	8.37	-38.29
CN(CC1=CN=CN1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292316	0	50	-1.0	-44.69	404.47	7.30	-37.39
CN(CC1=CN=CN1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292316	1	50	-1.0	-44.73	404.53	7.33	-37.40
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)(C)CO1	REAL300020292317	0	57	-1.0	-44.92	419.47	6.17	-38.75
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)(C)CO1	REAL300020292317	1	57	-1.0	-44.91	419.53	6.19	-38.72
COCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292318	0	57	-1.0	-46.33	436.72	7.09	-39.24
COCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292318	1	57	-1.0	-46.37	436.78	7.11	-39.26
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292319	0	55	-1.0	-42.10	411.71	8.00	-34.10
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292319	1	55	-1.0	-42.05	411.76	8.02	-34.03
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292320	0	52	-1.0	-44.72	403.84	6.75	-37.97
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292320	1	52	-1.0	-44.67	403.90	6.77	-37.90
C(CC1=NN=C(N2CC3CCCC(C2)O3)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292321	0	55	-1.0	-40.03	407.93	8.49	-31.54
C(CC1=NN=C(N2CC3CCCC(C2)O3)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292321	1	55	-1.0	-40.03	407.99	8.52	-31.51
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCC(C2)O3)N1CC1CCCCO1	REAL300020292322	0	52	-1.0	-48.20	380.36	8.22	-39.98
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCC(C2)O3)N1CC1CCCCO1	REAL300020292322	1	52	-1.0	-48.16	380.39	8.22	-39.94
C(C1=N[N-]N=N1)C1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1CC1CCCCO1	REAL300020292323	0	53	-1.0	-45.82	406.50	5.02	-40.80
C(C1=NN=N[N-]1)C1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1CC1CCCCO1	REAL300020292323	1	53	-1.0	-45.79	406.59	5.05	-40.74
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292324	0	59	-1.0	-44.21	429.47	8.80	-35.41
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292324	1	59	-1.0	-44.20	429.53	8.81	-35.39
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292325	0	56	-1.0	-44.09	414.51	8.39	-35.70
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292325	1	56	-1.0	-44.15	414.56	8.41	-35.74
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC12CC2	REAL300020292326	0	55	-1.0	-44.55	427.26	7.03	-37.52
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC12CC2	REAL300020292326	1	55	-1.0	-44.57	427.32	7.04	-37.53
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC12CC2	REAL300020292327	0	52	-1.0	-44.57	409.67	6.27	-38.30
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC12CC2	REAL300020292327	1	52	-1.0	-44.59	409.72	6.30	-38.29
O=C1OCCC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292328	0	51	-1.0	-54.35	394.49	6.56	-47.79
O=C1OCCC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292328	1	51	-1.0	-54.41	394.54	6.58	-47.83
CC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CCN21	REAL300020292329	0	54	-1.0	-43.05	426.67	7.90	-35.15
CC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CCN21	REAL300020292329	1	54	-1.0	-43.06	426.74	7.91	-35.15
CC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCN21	REAL300020292330	0	51	-1.0	-44.65	407.48	7.05	-37.60
CC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCN21	REAL300020292330	1	51	-1.0	-44.62	407.54	7.08	-37.54
CC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCC1(C)C	REAL300020292331	0	56	-1.0	-41.17	426.16	8.34	-32.83
CC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCC1(C)C	REAL300020292331	1	56	-1.0	-41.14	426.22	8.36	-32.78
CC1N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCC1(C)C	REAL300020292332	0	53	-1.0	-50.14	364.67	7.28	-42.86
CC1N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCC1(C)C	REAL300020292332	1	53	-1.0	-50.15	364.74	7.28	-42.87
O=C1NCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(F)F	REAL300020292333	0	48	-1.0	-50.91	374.63	2.39	-48.52
O=C1NCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1(F)F	REAL300020292333	1	48	-1.0	-50.91	374.68	2.42	-48.49
COCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292334	0	55	-1.0	-49.52	419.21	5.58	-43.94
COCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292334	1	55	-1.0	-49.53	419.25	5.58	-43.95
OC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCC2=C1	REAL300020292335	0	52	-1.0	-44.63	416.63	5.83	-38.80
OC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCC2=C1	REAL300020292335	1	52	-1.0	-44.62	416.69	5.85	-38.77
CC(C)CC1(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292336	0	59	-1.0	-43.52	430.30	10.95	-32.57
CC(C)CC1(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292336	1	59	-1.0	-43.53	430.36	10.98	-32.55
C=CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292337	0	53	-1.0	-42.35	421.49	8.12	-34.23
C=CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292337	1	53	-1.0	-42.35	421.54	8.14	-34.21
C=CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292338	0	50	-1.0	-48.28	386.46	8.10	-40.18
C=CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292338	1	50	-1.0	-48.30	386.44	8.12	-40.18
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCO3)C2)N1CC1CCCCO1	REAL300020292339	0	55	-1.0	-44.86	422.90	6.74	-38.12
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCO3)C2)N1CC1CCCCO1	REAL300020292339	1	55	-1.0	-44.85	422.96	6.76	-38.09
O=C1O[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)C[C@@H]2O1	REAL300020292340	0	49	-1.0	-53.35	392.40	6.33	-47.02
O=C1O[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)C[C@@H]2O1	REAL300020292340	1	49	-1.0	-53.35	392.45	6.34	-47.01
O=C1O[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C[C@@H]2O1	REAL300020292341	0	46	-1.0	-54.13	369.44	5.59	-48.54
O=C1O[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C[C@@H]2O1	REAL300020292341	1	46	-1.0	-54.13	369.49	5.62	-48.51
C(CC1=NN=C(N2CCCC3(COC3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292342	0	55	-1.0	-43.53	421.83	6.42	-37.11
C(CC1=NN=C(N2CCCC3(COC3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292342	1	55	-1.0	-43.55	421.89	6.44	-37.11
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(COC3)C2)N1CC1CCCCO1	REAL300020292343	0	52	-1.0	-51.78	390.55	6.34	-45.44
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(COC3)C2)N1CC1CCCCO1	REAL300020292343	1	52	-1.0	-51.75	390.59	6.35	-45.40
CN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C2CC2)N=N1	REAL300020292344	0	53	-1.0	-50.76	407.11	6.70	-44.06
CN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C2CC2)N=N1	REAL300020292344	1	53	-1.0	-50.74	407.17	6.73	-44.01
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C[C@H]1F	REAL300020292345	0	51	-1.0	-40.80	400.31	5.50	-35.30
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C[C@H]1F	REAL300020292345	1	51	-1.0	-40.84	400.37	5.52	-35.32
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C[C@H]1F	REAL300020292346	0	48	-1.0	-41.56	385.66	4.79	-36.77
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C[C@H]1F	REAL300020292346	1	48	-1.0	-41.60	385.72	4.82	-36.78
CCC1CC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292347	0	57	-1.0	-43.29	424.88	8.27	-35.02
CCC1CC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292347	1	57	-1.0	-43.32	424.94	8.29	-35.03
FC(F)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292348	0	53	-1.0	-46.41	415.59	8.21	-38.20
FC(F)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292348	1	53	-1.0	-46.43	415.65	8.22	-38.21
FC(F)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292349	0	50	-1.0	-44.12	395.03	7.46	-36.66
FC(F)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292349	1	50	-1.0	-44.13	395.09	7.49	-36.64
CN(CCCC1=CC=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292350	0	55	-1.0	-46.99	437.87	8.05	-38.94
CN(CCCC1=CC=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292350	1	55	-1.0	-46.98	437.93	8.07	-38.91
NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292351	0	54	-1.0	-55.33	414.93	4.31	-51.02
NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292351	1	54	-1.0	-55.32	414.99	4.33	-50.99
NC(=O)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292352	0	51	-1.0	-59.82	389.10	3.96	-55.86
NC(=O)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292352	1	51	-1.0	-59.87	389.15	3.97	-55.90
CC(CC(N)=O)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292353	0	53	-1.0	-52.31	413.52	2.46	-49.85
CC(CC(N)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292353	1	53	-1.0	-52.33	413.57	2.48	-49.85
CC(CC(N)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292354	0	50	-1.0	-43.33	376.52	4.02	-39.31
CC(CC(N)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292354	1	50	-1.0	-43.31	376.59	4.03	-39.28
CC1=CSC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020292355	0	50	-1.0	-42.98	409.16	8.19	-34.79
CC1=CSC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020292355	1	50	-1.0	-42.96	409.21	8.21	-34.75
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1CC1CCCCO1	REAL300020292356	0	55	-1.0	-45.54	410.96	6.73	-38.81
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1CC1CCCCO1	REAL300020292356	1	55	-1.0	-45.50	411.03	6.74	-38.76
C1=NN(CC2CCC2)C=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292357	0	54	-1.0	-51.55	427.37	9.57	-41.98
C1=NN(CC2CCC2)C=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292357	1	54	-1.0	-51.53	427.32	9.56	-41.97
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1C2CCCC21	REAL300020292358	0	54	-1.0	-43.80	409.57	8.85	-34.95
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1C2CCCC21	REAL300020292358	1	54	-1.0	-43.72	409.63	8.86	-34.86
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1C2CCCC21	REAL300020292359	0	51	-1.0	-44.70	396.65	7.82	-36.88
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1C2CCCC21	REAL300020292359	1	51	-1.0	-44.68	396.70	7.84	-36.84
C(CC1=NN=C(N2CC3CC2C3)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292360	0	48	-1.0	-43.45	372.98	7.06	-36.39
C(CC1=NN=C(N2CC3CC2C3)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292360	1	48	-1.0	-43.47	373.04	7.08	-36.39
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CC2C3)N1CC1CCCCO1	REAL300020292361	0	45	-1.0	-44.44	352.96	5.96	-38.48
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CC2C3)N1CC1CCCCO1	REAL300020292361	1	45	-1.0	-44.43	353.06	5.99	-38.44
C1=CC(C2=NN=C(N3CC4CC3C4)N2CC2CCCCO2)=CC=C1C1=N[N-]N=N1	REAL300020292362	0	52	-1.0	-43.29	402.36	8.62	-34.67
C1=CC(C2=NN=C(N3CC4CC3C4)N2CC2CCCCO2)=CC=C1C1=NN=N[N-]1	REAL300020292362	1	52	-1.0	-43.24	402.40	8.62	-34.62
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020292363	0	57	-1.0	-43.81	440.90	7.04	-36.77
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292363	1	57	-1.0	-43.81	440.96	7.05	-36.76
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(C)C	REAL300020292364	0	54	-1.0	-43.44	421.67	5.95	-37.49
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1(C)C	REAL300020292364	1	54	-1.0	-43.43	421.74	5.98	-37.45
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C[C@H]12	REAL300020292365	0	55	-1.0	-50.30	412.75	6.51	-43.79
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C[C@H]12	REAL300020292365	1	55	-1.0	-50.27	412.81	6.53	-43.74
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC[C@H]12	REAL300020292366	0	55	-1.0	-47.22	424.87	7.57	-39.65
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC[C@H]12	REAL300020292366	1	55	-1.0	-47.25	424.92	7.58	-39.67
CC1=C(CNC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)OC=C1	REAL300020292367	0	50	-1.0	-42.39	404.95	8.12	-34.27
CC1=C(CNC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)OC=C1	REAL300020292367	1	50	-1.0	-42.41	405.01	8.13	-34.28
CC1=C(CNC2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)OC=C1	REAL300020292368	0	47	-1.0	-46.79	383.03	7.58	-39.21
CC1=C(CNC2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)OC=C1	REAL300020292368	1	47	-1.0	-46.73	383.09	7.60	-39.13
C(CC1=NN=C(N2CCC3CC2CO3)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292369	0	52	-1.0	-41.98	393.30	5.86	-36.12
C(CC1=NN=C(N2CCC3CC2CO3)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292369	1	52	-1.0	-41.99	393.35	5.88	-36.11
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CC2CO3)N1CC1CCCCO1	REAL300020292370	0	49	-1.0	-46.85	371.35	5.32	-41.53
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CC2CO3)N1CC1CCCCO1	REAL300020292370	1	49	-1.0	-46.89	371.41	5.35	-41.54
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C[C@@H]1F	REAL300020292371	0	50	-1.0	-43.74	389.00	7.32	-36.42
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C[C@@H]1F	REAL300020292371	1	50	-1.0	-43.73	389.05	7.33	-36.40
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C[C@@H]1F	REAL300020292372	0	47	-1.0	-46.81	344.02	6.50	-40.31
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C[C@@H]1F	REAL300020292372	1	47	-1.0	-46.91	343.91	6.52	-40.39
N#CC1(C(N)=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292373	0	49	-1.0	-54.84	392.13	2.42	-52.42
N#CC1(C(N)=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292373	1	49	-1.0	-54.86	392.18	2.44	-52.42
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292374	0	52	-1.0	-45.86	401.01	8.02	-37.84
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292374	1	52	-1.0	-45.81	401.07	8.04	-37.77
C#C[C@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292375	0	49	-1.0	-50.27	376.17	7.57	-42.70
C#C[C@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292375	1	49	-1.0	-50.27	376.26	7.58	-42.69
CN(CCCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292376	0	52	-1.0	-56.18	415.79	4.31	-51.87
CN(CCCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292376	1	52	-1.0	-56.15	415.77	4.33	-51.82
CN(CCC(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292377	0	49	-1.0	-43.87	399.84	7.04	-36.83
CN(CCC(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292377	1	49	-1.0	-43.87	399.89	7.06	-36.81
CN(CCC(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292378	0	46	-1.0	-45.77	374.94	6.30	-39.47
CN(CCC(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292378	1	46	-1.0	-45.77	375.00	6.32	-39.45
CN(CC1CC(F)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292379	0	53	-1.0	-45.10	412.13	8.27	-36.83
CN(CC1CC(F)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292379	1	53	-1.0	-45.06	412.19	8.28	-36.78
CN(CC1CC(F)C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292380	0	50	-1.0	-43.19	391.83	7.31	-35.88
CN(CC1CC(F)C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292380	1	50	-1.0	-43.21	391.89	7.33	-35.88
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292381	0	52	-1.0	-40.85	416.95	6.07	-34.78
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292381	1	52	-1.0	-40.90	417.01	6.09	-34.81
C#CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292382	0	49	-1.0	-42.15	401.32	5.53	-36.62
C#CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292382	1	49	-1.0	-42.14	401.36	5.54	-36.60
COCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292383	0	57	-1.0	-43.80	442.34	7.88	-35.92
COCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292383	1	57	-1.0	-43.82	442.39	7.90	-35.92
COCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292384	0	54	-1.0	-42.65	415.21	6.30	-36.35
COCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292384	1	54	-1.0	-42.62	415.27	6.34	-36.28
CN1N=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CC1	REAL300020292385	0	54	-1.0	-43.36	417.17	6.42	-36.94
CN1N=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CC1	REAL300020292385	1	54	-1.0	-43.39	417.23	6.42	-36.97
C1=NOC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCCCO1)CC2	REAL300020292386	0	50	-1.0	-40.97	399.86	7.22	-33.75
C1=NOC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCCCO1)CC2	REAL300020292386	1	50	-1.0	-40.95	399.93	7.23	-33.72
C1=NOC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)CC2	REAL300020292387	0	47	-1.0	-42.78	380.70	6.36	-36.42
C1=NOC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)CC2	REAL300020292387	1	47	-1.0	-42.72	380.76	6.39	-36.33
CN(CC1CC(F)(F)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292388	0	53	-1.0	-40.57	426.29	8.12	-32.45
CN(CC1CC(F)(F)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292388	1	53	-1.0	-40.60	426.35	8.13	-32.47
CN(CC1CC(F)(F)C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292389	0	50	-1.0	-44.19	399.80	7.38	-36.81
CN(CC1CC(F)(F)C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292389	1	50	-1.0	-44.14	399.85	7.40	-36.74
O=C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2N1	REAL300020292390	0	52	-1.0	-50.54	392.75	4.70	-45.84
O=C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2N1	REAL300020292390	1	52	-1.0	-50.60	392.78	4.70	-45.90
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCC1(F)F	REAL300020292391	0	48	-1.0	-43.75	400.39	6.81	-36.94
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCC1(F)F	REAL300020292391	1	48	-1.0	-43.75	400.44	6.84	-36.91
O=C1OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2O1	REAL300020292392	0	49	-1.0	-44.24	395.37	5.95	-38.29
O=C1OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2O1	REAL300020292392	1	49	-1.0	-44.22	395.43	5.98	-38.24
CCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292393	0	59	-1.0	-42.19	450.13	9.35	-32.84
CCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292393	1	59	-1.0	-42.14	450.19	9.37	-32.77
CCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292394	0	56	-1.0	-42.14	430.26	8.55	-33.59
CCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292394	1	56	-1.0	-42.13	430.32	8.58	-33.55
C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CC2=NO1	REAL300020292395	0	47	-1.0	-44.13	371.89	5.82	-38.31
C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CC2=NO1	REAL300020292395	1	47	-1.0	-44.15	371.94	5.83	-38.32
C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2=NO1	REAL300020292396	0	44	-1.0	-45.03	350.37	5.03	-40.00
C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2=NO1	REAL300020292396	1	44	-1.0	-45.04	350.43	5.06	-39.98
CC1CC(C(N)=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292397	0	54	-1.0	-43.68	415.61	4.09	-39.59
CC1CC(C(N)=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292397	1	54	-1.0	-43.71	415.68	4.11	-39.60
C(CC1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292398	0	54	-1.0	-43.79	405.07	8.33	-35.46
C(CC1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292398	1	54	-1.0	-43.75	405.13	8.34	-35.41
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1CC1CCCCO1	REAL300020292399	0	51	-1.0	-43.07	390.03	7.76	-35.31
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1CC1CCCCO1	REAL300020292399	1	51	-1.0	-43.12	390.09	7.79	-35.33
CC12CCC(CC1)N2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292400	0	54	-1.0	-45.51	397.34	7.84	-37.67
CC12CCC(CC1)N2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292400	1	54	-1.0	-45.54	397.40	7.85	-37.69
CC12CCC(CC1)N2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292401	0	51	-1.0	-49.70	372.06	7.50	-42.20
CC12CCC(CC1)N2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292401	1	51	-1.0	-49.72	372.09	7.52	-42.20
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C[C@@H]1F	REAL300020292402	0	53	-1.0	-41.89	415.01	8.01	-33.88
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C[C@@H]1F	REAL300020292402	1	53	-1.0	-41.91	415.07	8.02	-33.89
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C[C@@H]1F	REAL300020292403	0	50	-1.0	-43.31	390.93	7.44	-35.87
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C[C@@H]1F	REAL300020292403	1	50	-1.0	-43.28	390.99	7.47	-35.81
FC(F)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292404	0	53	-1.0	-44.26	419.30	8.01	-36.25
FC(F)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292404	1	53	-1.0	-44.28	419.36	8.03	-36.25
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C[C@@H]1O	REAL300020292405	0	54	-1.0	-45.77	396.13	4.44	-41.33
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C[C@@H]1O	REAL300020292405	1	54	-1.0	-45.76	396.20	4.46	-41.30
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C[C@@H]1O	REAL300020292406	0	51	-1.0	-43.82	393.38	4.18	-39.64
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C[C@@H]1O	REAL300020292406	1	51	-1.0	-43.84	393.44	4.20	-39.64
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C(C)C1CCC1	REAL300020292407	0	59	-1.0	-40.53	437.73	9.27	-31.26
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C(C)C1CCC1	REAL300020292407	1	59	-1.0	-40.51	437.78	9.29	-31.22
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C(C)C1CCC1	REAL300020292408	0	56	-1.0	-44.08	413.96	8.36	-35.72
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C(C)C1CCC1	REAL300020292408	1	56	-1.0	-44.02	414.02	8.37	-35.65
ClC1=C(Cl)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292409	0	45	-1.0	-40.17	392.28	7.31	-32.86
ClC1=C(Cl)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292409	1	45	-1.0	-40.14	392.34	7.34	-32.80
C(CC1=NN=C(N2CCCC23CC3)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292410	0	51	-1.0	-43.76	395.53	6.98	-36.78
C(CC1=NN=C(N2CCCC23CC3)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292410	1	51	-1.0	-43.77	395.59	6.99	-36.78
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC23CC3)N1CC1CCCCO1	REAL300020292411	0	48	-1.0	-45.06	372.13	6.62	-38.44
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC23CC3)N1CC1CCCCO1	REAL300020292411	1	48	-1.0	-45.07	372.19	6.64	-38.43
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCSC3)C2)N1CC1CCCCO1	REAL300020292412	0	52	-1.0	-46.97	401.47	7.84	-39.13
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCSC3)C2)N1CC1CCCCO1	REAL300020292412	1	52	-1.0	-46.97	401.53	7.87	-39.10
O=C1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)N1	REAL300020292413	0	52	-1.0	-50.00	401.05	4.07	-45.93
O=C1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)N1	REAL300020292413	1	52	-1.0	-50.03	401.11	4.09	-45.94
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C[C@H](C)C1(F)F	REAL300020292414	0	53	-1.0	-47.06	403.84	8.52	-38.54
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C[C@H](C)C1(F)F	REAL300020292414	1	53	-1.0	-47.10	403.94	8.53	-38.57
C(CC1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292415	0	50	-1.0	-43.76	392.42	4.34	-39.42
C(CC1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292415	1	50	-1.0	-43.76	392.48	4.36	-39.40
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1CC1CCCCO1	REAL300020292416	0	47	-1.0	-48.60	367.79	3.72	-44.88
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1CC1CCCCO1	REAL300020292416	1	47	-1.0	-48.54	367.85	3.75	-44.79
CN(CC1=NN=NN1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292417	0	51	-1.0	-44.77	409.32	5.14	-39.63
CN(CC1=NN=NN1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292417	1	51	-1.0	-44.77	409.38	5.15	-39.62
CN(CC1=NN=NN1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292418	0	48	-1.0	-45.05	387.83	4.35	-40.70
CN(CC1=NN=NN1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292418	1	48	-1.0	-45.08	387.89	4.38	-40.70
CN(CCOC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292419	0	54	-1.0	-41.21	426.42	7.33	-33.88
CN(CCOC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292419	1	54	-1.0	-41.23	426.48	7.35	-33.88
CN(CCOC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292420	0	51	-1.0	-43.94	404.39	6.39	-37.55
CN(CCOC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292420	1	51	-1.0	-43.92	404.44	6.40	-37.52
COC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020292421	0	54	-1.0	-41.47	423.87	8.72	-32.75
COC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020292421	1	54	-1.0	-41.45	423.93	8.73	-32.72
COC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020292422	0	51	-1.0	-45.03	408.04	8.10	-36.93
COC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020292422	1	51	-1.0	-45.05	407.98	8.08	-36.97
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292423	0	51	-1.0	-49.35	399.37	7.62	-41.73
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292423	1	51	-1.0	-49.38	399.42	7.63	-41.75
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292424	0	48	-1.0	-48.67	379.53	6.90	-41.77
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292424	1	48	-1.0	-48.71	379.58	6.91	-41.80
CCCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292425	0	58	-1.0	-44.56	438.70	9.25	-35.31
CCCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292425	1	58	-1.0	-44.51	438.75	9.27	-35.24
CCCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292426	0	55	-1.0	-43.43	421.94	8.37	-35.06
CCCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292426	1	55	-1.0	-43.45	421.99	8.40	-35.05
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292427	0	53	-1.0	-48.95	422.74	7.15	-41.80
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292427	1	53	-1.0	-48.94	422.80	7.18	-41.76
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCSCC1	REAL300020292428	0	54	-1.0	-44.59	409.36	8.38	-36.21
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCSCC1	REAL300020292428	1	54	-1.0	-44.56	409.42	8.39	-36.17
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCSCC1	REAL300020292429	0	51	-1.0	-43.69	391.41	7.50	-36.19
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCSCC1	REAL300020292429	1	51	-1.0	-43.67	391.47	7.52	-36.15
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1=O	REAL300020292430	0	53	-1.0	-44.06	435.09	6.76	-37.30
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1=O	REAL300020292430	1	53	-1.0	-44.09	435.15	6.77	-37.32
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1=O	REAL300020292431	0	50	-1.0	-46.70	413.78	5.99	-40.71
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1=O	REAL300020292431	1	50	-1.0	-46.69	413.84	6.01	-40.68
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292432	0	51	-1.0	-44.72	392.65	5.55	-39.17
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292432	1	51	-1.0	-44.68	392.71	5.57	-39.11
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292433	0	48	-1.0	-42.90	383.26	4.69	-38.21
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292433	1	48	-1.0	-42.94	383.32	4.71	-38.23
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020292434	0	54	-1.0	-44.81	419.32	9.38	-35.43
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020292434	1	54	-1.0	-44.83	419.38	9.40	-35.43
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2=C1	REAL300020292435	0	51	-1.0	-46.28	397.65	8.35	-37.93
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2=C1	REAL300020292435	1	51	-1.0	-46.30	397.59	8.33	-37.97
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292436	0	54	-1.0	-44.26	415.66	6.45	-37.81
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292436	1	54	-1.0	-44.21	415.71	6.47	-37.74
CC1CN2N=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292437	0	51	-1.0	-49.65	392.30	5.83	-43.82
CC1CN2N=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292437	1	51	-1.0	-49.66	392.36	5.85	-43.81
FC(F)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292438	0	53	-1.0	-46.42	412.22	8.10	-38.32
FC(F)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292438	1	53	-1.0	-46.41	412.27	8.12	-38.29
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292439	0	57	-1.0	-44.13	422.04	7.60	-36.53
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292439	1	57	-1.0	-44.17	422.09	7.62	-36.55
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292440	0	54	-1.0	-48.99	404.57	7.05	-41.94
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292440	1	54	-1.0	-49.04	404.59	7.06	-41.98
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCC3)CC2)N1CC1CCCCO1	REAL300020292441	0	57	-1.0	-43.52	422.06	8.82	-34.70
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCC3)CC2)N1CC1CCCCO1	REAL300020292441	1	57	-1.0	-43.52	422.12	8.85	-34.67
COC1=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=CC=C1C	REAL300020292442	0	54	-1.0	-42.67	431.73	9.47	-33.20
COC1=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=CC=C1C	REAL300020292442	1	54	-1.0	-42.64	431.67	9.45	-33.19
COC1=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=CC=C1C	REAL300020292443	0	51	-1.0	-44.53	409.80	8.76	-35.77
COC1=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=CC=C1C	REAL300020292443	1	51	-1.0	-44.51	409.74	8.73	-35.78
O=C1C=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)N1	REAL300020292444	0	51	-1.0	-47.03	410.34	5.47	-41.56
O=C1C=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)N1	REAL300020292444	1	51	-1.0	-47.04	410.40	5.50	-41.54
CCC=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292445	0	54	-1.0	-44.78	413.67	8.66	-36.12
CCC=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292445	1	54	-1.0	-44.78	413.72	8.68	-36.10
CCC=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292446	0	51	-1.0	-46.91	393.43	7.73	-39.18
CCC=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292446	1	51	-1.0	-46.89	393.49	7.75	-39.14
OCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292447	0	57	-1.0	-44.57	434.63	5.35	-39.22
OCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292447	1	57	-1.0	-44.52	434.68	5.36	-39.16
OCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292448	0	54	-1.0	-50.51	406.91	5.14	-45.37
OCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292448	1	54	-1.0	-50.50	406.98	5.14	-45.36
FC(F)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292449	0	53	-1.0	-46.55	414.62	8.20	-38.35
FC(F)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292449	1	53	-1.0	-46.54	414.68	8.21	-38.33
FC(F)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292450	0	50	-1.0	-48.04	392.92	7.40	-40.64
FC(F)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292450	1	50	-1.0	-48.06	392.97	7.42	-40.64
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292451	0	57	0.0	-67.71	423.70	8.76	-58.95
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292451	1	57	0.0	-66.87	427.59	8.21	-58.66
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292451	1	57	0.0	-67.70	423.77	8.78	-58.92
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292451	1	57	0.0	-66.92	427.65	8.24	-58.68
C#CCN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C=N1	REAL300020292452	0	49	-1.0	-48.55	412.04	8.70	-39.85
C#CCN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C=N1	REAL300020292452	1	49	-1.0	-48.54	411.98	8.68	-39.86
C#CCN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=N1	REAL300020292453	0	46	-1.0	-53.10	385.23	8.01	-45.09
C#CCN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=N1	REAL300020292453	1	46	-1.0	-53.12	385.17	7.99	-45.13
CC1CC2(CCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292454	0	57	-1.0	-46.46	421.61	8.73	-37.73
CC1CC2(CCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292454	1	57	-1.0	-46.43	421.66	8.75	-37.68
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CCOC1	REAL300020292455	0	54	-1.0	-41.46	411.25	5.75	-35.71
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CCOC1	REAL300020292455	1	54	-1.0	-41.45	411.31	5.76	-35.69
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CCOC1	REAL300020292456	0	51	-1.0	-46.06	388.75	4.39	-41.67
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CCOC1	REAL300020292456	1	51	-1.0	-46.09	388.81	4.41	-41.68
CC12CCCC1N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)CCC2	REAL300020292457	0	57	-1.0	-48.19	405.18	8.41	-39.78
CC12CCCC1N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)CCC2	REAL300020292457	1	57	-1.0	-48.23	405.23	8.43	-39.80
CCN(CCOCCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292458	0	57	-1.0	-53.34	437.48	5.21	-48.13
CCN(CCOCCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292458	1	57	-1.0	-53.33	437.62	5.22	-48.11
CCN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292459	0	59	-1.0	-49.92	438.16	7.12	-42.80
CCN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292459	1	59	-1.0	-49.93	438.23	7.12	-42.81
C=CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292460	0	54	-1.0	-42.45	423.08	8.46	-33.99
C=CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292460	1	54	-1.0	-42.46	423.14	8.48	-33.98
C=CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292461	0	51	-1.0	-43.58	401.55	7.67	-35.91
C=CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292461	1	51	-1.0	-43.55	401.60	7.69	-35.86
CC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC(C)O1	REAL300020292462	0	57	-1.0	-44.13	427.16	5.94	-38.19
CC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC(C)O1	REAL300020292462	1	57	-1.0	-44.15	427.22	5.97	-38.18
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC2(CC2)N1	REAL300020292463	0	52	-1.0	-47.52	399.10	4.69	-42.83
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC2(CC2)N1	REAL300020292463	1	52	-1.0	-47.58	399.20	4.70	-42.88
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC2(CC2)N1	REAL300020292464	0	49	-1.0	-44.48	398.30	3.84	-40.64
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC2(CC2)N1	REAL300020292464	1	49	-1.0	-44.50	398.35	3.87	-40.63
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC[N@@H+]1C1CC1	REAL300020292465	0	57	0.0	-61.38	432.77	8.40	-52.98
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC[N@H+]1C1CC1	REAL300020292465	1	57	0.0	-67.46	411.11	7.67	-59.79
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC[N@@H+]1C1CC1	REAL300020292465	1	57	0.0	-61.37	432.82	8.44	-52.93
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC[N@H+]1C1CC1	REAL300020292465	1	57	0.0	-67.45	411.15	7.69	-59.76
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCN1C1CC1	REAL300020292465	1	56	-1.0	-42.25	426.35	5.94	-36.31
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCN1C1CC1	REAL300020292465	1	56	-1.0	-42.27	426.42	5.96	-36.31
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCC1(F)F	REAL300020292466	0	53	-1.0	-47.34	400.67	8.10	-39.24
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCC1(F)F	REAL300020292466	1	53	-1.0	-47.36	400.72	8.10	-39.26
CC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCC1(F)F	REAL300020292467	0	50	-1.0	-41.15	397.10	7.25	-33.90
CC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCC1(F)F	REAL300020292467	1	50	-1.0	-41.12	397.15	7.27	-33.85
CC1N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCC1(F)F	REAL300020292468	0	47	-1.0	-42.78	376.03	6.97	-35.81
CC1N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCC1(F)F	REAL300020292468	1	47	-1.0	-42.81	376.10	7.00	-35.81
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292469	0	57	-1.0	-40.75	430.79	8.86	-31.89
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292469	1	57	-1.0	-40.75	430.85	8.88	-31.87
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCCCO1	REAL300020292470	0	54	-1.0	-48.74	401.85	8.97	-39.77
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCC3)C2)N1CC1CCCCO1	REAL300020292470	1	54	-1.0	-48.72	401.90	8.98	-39.74
CCC1COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292471	0	57	-1.0	-42.45	433.62	7.47	-34.98
CCC1COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292471	1	57	-1.0	-42.50	433.68	7.49	-35.01
CCC1COCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292472	0	54	-1.0	-43.48	411.97	6.68	-36.80
CCC1COCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292472	1	54	-1.0	-43.48	412.03	6.71	-36.77
CC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292473	0	54	-1.0	-40.85	418.55	6.52	-34.33
CC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292473	1	54	-1.0	-40.84	418.60	6.54	-34.30
CC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292474	0	51	-1.0	-47.34	387.51	6.50	-40.84
CC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292474	1	51	-1.0	-47.36	387.56	6.50	-40.86
C1=CCC2(CCCC2)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292475	0	58	-1.0	-48.50	419.27	10.27	-38.23
C1=CCC2(CCCC2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292475	1	58	-1.0	-48.52	419.33	10.28	-38.24
C[C@@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292476	0	51	-1.0	-39.48	401.83	7.22	-32.26
C[C@@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292476	1	51	-1.0	-39.44	401.89	7.23	-32.21
C[C@@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292477	0	48	-1.0	-42.28	368.20	5.89	-36.39
C[C@@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292477	1	48	-1.0	-42.27	368.26	5.92	-36.35
FC(F)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292478	0	52	-1.0	-47.47	413.27	5.14	-42.33
FC(F)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292478	1	52	-1.0	-47.44	413.33	5.17	-42.27
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCCCC3C2)N1CC1CCCCO1	REAL300020292479	0	57	-1.0	-44.99	413.59	8.58	-36.41
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCCCC3C2)N1CC1CCCCO1	REAL300020292479	1	57	-1.0	-45.01	413.64	8.60	-36.41
C1=C2COCCN2N=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292480	0	49	-1.0	-47.98	392.41	6.90	-41.08
C1=C2COCCN2N=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292480	1	49	-1.0	-47.98	392.47	6.92	-41.06
CC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292481	0	57	-1.0	-45.22	425.36	5.32	-39.90
CC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292481	1	57	-1.0	-45.22	425.41	5.33	-39.89
CC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292482	0	54	-1.0	-45.57	406.28	4.32	-41.25
CC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292482	1	54	-1.0	-45.61	406.34	4.35	-41.26
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292483	0	54	-1.0	-63.71	392.37	3.51	-60.20
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292483	1	54	-1.0	-63.66	392.42	3.51	-60.15
CN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292484	0	54	-1.0	-41.17	424.22	6.33	-34.84
CN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292484	1	54	-1.0	-41.12	424.27	6.34	-34.78
CN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292485	0	51	-1.0	-50.91	389.20	6.22	-44.69
CN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292485	1	51	-1.0	-50.86	389.23	6.23	-44.63
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292486	0	52	-1.0	-45.01	410.16	8.06	-36.95
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292486	1	52	-1.0	-45.05	410.21	8.07	-36.98
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292487	0	49	-1.0	-46.66	385.28	7.15	-39.51
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292487	1	49	-1.0	-46.65	385.33	7.17	-39.48
OC1(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCO2)CC1	REAL300020292488	0	53	-1.0	-48.46	415.83	3.31	-45.15
OC1(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCO2)CC1	REAL300020292488	1	53	-1.0	-48.49	415.88	3.33	-45.16
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292489	0	51	-1.0	-44.14	401.37	7.96	-36.18
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292489	1	51	-1.0	-44.10	401.43	7.97	-36.13
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292490	0	48	-1.0	-44.01	387.08	7.13	-36.88
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292490	1	48	-1.0	-43.98	387.14	7.16	-36.82
COC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292491	0	55	-1.0	-42.88	423.75	7.04	-35.84
COC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292491	1	55	-1.0	-42.89	423.81	7.06	-35.83
COC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292492	0	52	-1.0	-43.51	402.25	6.25	-37.26
COC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292492	1	52	-1.0	-43.54	402.31	6.27	-37.27
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292493	0	59	-1.0	-44.19	450.14	9.31	-34.88
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292493	1	59	-1.0	-44.18	450.19	9.33	-34.85
C(OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1)C1CC1	REAL300020292494	0	55	-1.0	-46.93	417.30	6.86	-40.07
C(OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1)C1CC1	REAL300020292494	1	55	-1.0	-46.93	417.35	6.88	-40.05
CCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292495	0	53	-1.0	-46.71	404.65	8.09	-38.62
CCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292495	1	53	-1.0	-46.68	404.71	8.11	-38.57
CCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292496	0	50	-1.0	-47.34	384.45	7.16	-40.18
CCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292496	1	50	-1.0	-47.35	384.51	7.17	-40.18
FC1(F)CC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)CC21	REAL300020292497	0	51	-1.0	-44.49	401.12	8.04	-36.45
FC1(F)CC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)CC21	REAL300020292497	1	51	-1.0	-44.46	401.18	8.05	-36.41
FC1(F)CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC21	REAL300020292498	0	48	-1.0	-49.99	370.09	7.80	-42.19
FC1(F)CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC21	REAL300020292498	1	48	-1.0	-49.98	370.05	7.82	-42.16
C(CC1=NN=C(N2CCCC3(CCO3)C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292499	0	55	-1.0	-42.26	422.40	6.48	-35.78
C(CC1=NN=C(N2CCCC3(CCO3)C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292499	1	55	-1.0	-42.30	422.46	6.50	-35.80
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCO3)C2)N1CC1CCCCO1	REAL300020292500	0	52	-1.0	-44.13	401.74	5.81	-38.32
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCO3)C2)N1CC1CCCCO1	REAL300020292500	1	52	-1.0	-44.14	401.79	5.83	-38.31
COC(=O)C12CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292501	0	51	-1.0	-45.48	404.65	7.76	-37.72
COC(=O)C12CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292501	1	51	-1.0	-45.52	404.71	7.78	-37.74
CCC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C=C1	REAL300020292502	0	56	-1.0	-44.78	442.52	10.95	-33.83
CCC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C=C1	REAL300020292502	1	56	-1.0	-44.79	442.57	10.96	-33.83
CCC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C=C1	REAL300020292503	0	53	-1.0	-49.34	421.02	10.18	-39.16
CCC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C=C1	REAL300020292503	1	53	-1.0	-49.38	420.96	10.16	-39.22
COC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=C1	REAL300020292504	0	54	-1.0	-45.16	426.66	7.68	-37.48
COC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=C1	REAL300020292504	1	54	-1.0	-45.16	426.71	7.70	-37.46
CC(F)(F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292505	0	53	-1.0	-50.53	405.51	8.58	-41.95
CC(F)(F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292505	1	53	-1.0	-50.53	405.58	8.58	-41.95
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1)C1CC2(CC2)C1	REAL300020292506	0	54	-1.0	-41.56	417.98	8.87	-32.69
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1)C1CC2(CC2)C1	REAL300020292506	1	54	-1.0	-41.59	418.04	8.89	-32.70
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)C1CC2(CC2)C1	REAL300020292507	0	51	-1.0	-42.82	401.33	8.09	-34.73
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)C1CC2(CC2)C1	REAL300020292507	1	51	-1.0	-42.80	401.38	8.11	-34.69
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC[C@H]1C	REAL300020292508	0	57	-1.0	-41.39	438.33	7.09	-34.30
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC[C@H]1C	REAL300020292508	1	57	-1.0	-41.38	438.39	7.10	-34.28
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC[C@H]1C	REAL300020292509	0	54	-1.0	-45.18	415.47	6.36	-38.82
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC[C@H]1C	REAL300020292509	1	54	-1.0	-45.17	415.53	6.39	-38.78
N#CC(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292510	0	52	-1.0	-57.15	414.48	8.28	-48.87
N#CC(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292510	1	52	-1.0	-57.16	414.55	8.28	-48.88
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCC(C3)C2)N1CC1CCCCO1	REAL300020292511	0	57	-1.0	-43.25	414.23	8.81	-34.44
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCC(C3)C2)N1CC1CCCCO1	REAL300020292511	1	57	-1.0	-43.26	414.30	8.83	-34.43
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)C2)=NO1	REAL300020292512	0	53	-1.0	-50.15	414.84	7.50	-42.65
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)C2)=NO1	REAL300020292512	1	53	-1.0	-50.12	414.89	7.51	-42.61
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)=NO1	REAL300020292513	0	50	-1.0	-51.40	391.28	6.61	-44.79
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)=NO1	REAL300020292513	1	50	-1.0	-51.40	391.34	6.62	-44.78
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CCCCO3)C2)=NO1	REAL300020292514	0	53	-1.0	-50.15	414.84	7.50	-42.65
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CCCCO3)C2)=NO1	REAL300020292514	1	53	-1.0	-50.12	414.89	7.51	-42.61
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)=NO1	REAL300020292515	0	50	-1.0	-51.40	391.28	6.61	-44.79
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)=NO1	REAL300020292515	1	50	-1.0	-51.40	391.34	6.62	-44.78
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292516	0	52	-1.0	-43.09	402.50	3.57	-39.52
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292516	1	52	-1.0	-43.10	402.56	3.60	-39.50
CC1CC(F)(F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292517	0	50	-1.0	-40.06	398.88	7.30	-32.76
CC1CC(F)(F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292517	1	50	-1.0	-40.05	398.94	7.31	-32.74
CC1CC(F)(F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292518	0	47	-1.0	-41.34	377.37	6.47	-34.87
CC1CC(F)(F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292518	1	47	-1.0	-41.36	377.43	6.49	-34.87
C1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2)=C1	REAL300020292519	0	53	-1.0	-43.77	425.23	7.69	-36.08
C1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2)=C1	REAL300020292519	1	53	-1.0	-43.80	425.28	7.72	-36.08
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292520	0	59	-1.0	-44.15	441.26	8.90	-35.25
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292520	1	59	-1.0	-44.17	441.33	8.91	-35.26
CCCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292521	0	56	-1.0	-43.73	424.64	7.75	-35.98
CCCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292521	1	56	-1.0	-43.68	424.69	7.77	-35.91
C(CC1=NN=C(N2CC3CC4CC3C2C4)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292522	0	55	-1.0	-43.50	413.31	8.86	-34.64
C(CC1=NN=C(N2CC3CC4CC3C2C4)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292522	1	55	-1.0	-43.53	413.37	8.88	-34.65
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CC4CC3C2C4)N1CC1CCCCO1	REAL300020292523	0	52	-1.0	-45.98	386.41	8.36	-37.62
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CC4CC3C2C4)N1CC1CCCCO1	REAL300020292523	1	52	-1.0	-45.97	386.46	8.39	-37.58
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292524	0	52	-1.0	-49.89	404.71	9.67	-40.22
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292524	1	52	-1.0	-49.92	404.65	9.64	-40.28
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292525	0	53	-1.0	-44.58	418.23	7.01	-37.57
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292525	1	53	-1.0	-44.65	418.29	7.03	-37.62
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1(F)F	REAL300020292526	0	50	-1.0	-39.77	394.12	7.16	-32.61
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1(F)F	REAL300020292526	1	50	-1.0	-39.78	394.18	7.18	-32.60
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1(F)F	REAL300020292527	0	47	-1.0	-45.19	351.24	6.55	-38.64
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1(F)F	REAL300020292527	1	47	-1.0	-45.24	351.30	6.55	-38.69
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC2CCCN12	REAL300020292528	0	52	-1.0	-45.03	406.06	5.62	-39.41
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC2CCCN12	REAL300020292528	1	52	-1.0	-45.05	406.11	5.63	-39.42
C=C1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292529	0	51	-1.0	-41.32	394.07	7.72	-33.60
C=C1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292529	1	51	-1.0	-41.33	394.12	7.73	-33.60
C=C1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292530	0	48	-1.0	-44.57	380.85	7.30	-37.27
C=C1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292530	1	48	-1.0	-44.59	380.90	7.33	-37.26
CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292531	0	54	-1.0	-45.45	418.25	6.58	-38.87
CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292531	1	54	-1.0	-45.49	418.31	6.60	-38.89
CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292532	0	51	-1.0	-48.32	394.46	5.79	-42.53
CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292532	1	51	-1.0	-48.34	394.52	5.81	-42.53
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)[C@H]2COC[C@H]21	REAL300020292533	0	53	-1.0	-44.37	413.21	4.30	-40.07
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)[C@H]2COC[C@H]21	REAL300020292533	1	53	-1.0	-44.39	413.26	4.32	-40.07
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCC(F)(F)C1	REAL300020292534	0	53	-1.0	-41.89	404.70	8.22	-33.67
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCC(F)(F)C1	REAL300020292534	1	53	-1.0	-41.86	404.76	8.25	-33.61
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)=C1	REAL300020292535	0	53	-1.0	-52.60	417.12	7.60	-45.00
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)=C1	REAL300020292535	1	53	-1.0	-52.59	417.17	7.62	-44.97
CC(C1CCCO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292536	0	57	-1.0	-41.14	413.36	6.54	-34.60
CC(C1CCCO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292536	1	57	-1.0	-41.11	413.41	6.55	-34.56
CC(C1CCCO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292537	0	54	-1.0	-46.03	392.88	7.36	-38.67
CC(C1CCCO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292537	1	54	-1.0	-45.94	393.05	7.36	-38.58
C[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292538	0	50	-1.0	-45.54	367.59	6.68	-38.86
C[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292538	1	50	-1.0	-45.51	367.65	6.70	-38.81
C[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292539	0	47	-1.0	-50.53	340.64	6.48	-44.05
C[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292539	1	47	-1.0	-50.60	340.93	6.52	-44.08
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020292540	0	54	-1.0	-44.94	413.44	9.52	-35.42
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020292540	1	54	-1.0	-44.88	413.47	9.50	-35.38
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC[C@H]1F	REAL300020292541	0	54	-1.0	-44.24	415.28	6.66	-37.58
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC[C@H]1F	REAL300020292541	1	54	-1.0	-44.24	415.34	6.67	-37.57
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC[C@H]1F	REAL300020292542	0	51	-1.0	-45.71	386.53	5.15	-40.56
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC[C@H]1F	REAL300020292542	1	51	-1.0	-45.70	386.58	5.18	-40.52
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292543	0	54	-1.0	-51.89	416.19	3.45	-48.44
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292543	1	54	-1.0	-51.89	416.24	3.47	-48.42
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292544	0	51	-1.0	-53.70	398.60	2.87	-50.83
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292544	1	51	-1.0	-53.71	398.62	2.88	-50.83
O=S1(=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCN1	REAL300020292545	0	49	-1.0	-47.59	392.03	1.23	-46.36
O=S1(=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCN1	REAL300020292545	1	49	-1.0	-47.63	392.09	1.26	-46.37
FC1(F)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CCC21	REAL300020292546	0	51	-1.0	-41.19	405.29	7.96	-33.23
FC1(F)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CCC21	REAL300020292546	1	51	-1.0	-41.21	405.34	7.98	-33.23
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292547	0	53	-1.0	-48.58	400.39	7.83	-40.75
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292547	1	53	-1.0	-48.59	400.40	7.84	-40.75
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCCCC2)N1CC1CCCCO1	REAL300020292548	0	59	-1.0	-46.83	418.46	10.21	-36.62
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCCCC2)N1CC1CCCCO1	REAL300020292548	1	59	-1.0	-46.79	418.58	10.21	-36.58
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292549	0	54	-1.0	-41.21	404.86	7.72	-33.49
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292549	1	54	-1.0	-41.18	404.92	7.74	-33.44
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292550	0	51	-1.0	-46.01	383.24	7.18	-38.83
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292550	1	51	-1.0	-46.04	383.30	7.20	-38.84
C[C@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292551	0	51	-1.0	-42.82	391.23	6.07	-36.75
C[C@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292551	1	51	-1.0	-42.81	391.29	6.08	-36.73
C[C@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292552	0	48	-1.0	-44.07	369.73	5.28	-38.79
C[C@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292552	1	48	-1.0	-44.05	369.79	5.31	-38.74
C#CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292553	0	48	-1.0	-43.95	392.96	7.29	-36.66
C#CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292553	1	48	-1.0	-43.94	393.02	7.30	-36.64
C#CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292554	0	45	-1.0	-46.07	368.07	6.54	-39.53
C#CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292554	1	45	-1.0	-46.08	368.12	6.55	-39.53
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020292555	0	52	-1.0	-46.24	414.69	9.79	-36.45
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020292555	1	52	-1.0	-46.17	414.73	9.78	-36.39
FC1(F)CC2CC1N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292556	0	51	-1.0	-49.32	392.20	6.63	-42.69
FC1(F)CC2CC1N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292556	1	51	-1.0	-49.35	392.26	6.64	-42.71
FC1(F)CC2CC1N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292557	0	48	-1.0	-51.38	358.07	6.53	-44.85
FC1(F)CC2CC1N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292557	1	48	-1.0	-51.45	358.12	6.53	-44.92
CN(CC12CCC(CC1)C2)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292558	0	57	-1.0	-45.73	422.12	8.87	-36.86
CN(CC12CCC(CC1)C2)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292558	1	57	-1.0	-45.71	422.18	8.87	-36.84
CC(F)(F)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292559	0	53	-1.0	-47.78	413.06	8.12	-39.66
CC(F)(F)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292559	1	53	-1.0	-47.76	413.11	8.15	-39.61
FCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292560	0	56	-1.0	-49.91	423.58	9.40	-40.51
FCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292560	1	56	-1.0	-49.91	423.65	9.40	-40.51
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292561	0	54	-1.0	-46.71	425.30	3.99	-42.72
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292561	1	54	-1.0	-46.69	425.35	4.00	-42.69
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292562	0	51	-1.0	-45.58	405.43	3.19	-42.39
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292562	1	51	-1.0	-45.61	405.48	3.21	-42.40
OCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292563	0	54	-1.0	-45.18	422.54	4.78	-40.40
OCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292563	1	54	-1.0	-45.14	422.60	4.79	-40.35
OCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292564	0	51	-1.0	-48.70	398.60	3.97	-44.73
OCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292564	1	51	-1.0	-48.72	398.66	3.99	-44.73
CO[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292565	0	54	-1.0	-43.64	399.70	5.96	-37.68
CO[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292565	1	54	-1.0	-43.65	399.76	5.98	-37.67
CO[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292566	0	51	-1.0	-46.80	396.42	5.52	-41.28
CO[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292566	1	51	-1.0	-46.82	396.48	5.54	-41.28
COC(=O)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CC1	REAL300020292567	0	51	-1.0	-43.77	413.73	7.04	-36.73
COC(=O)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CC1	REAL300020292567	1	51	-1.0	-43.74	413.79	7.07	-36.67
CC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292568	0	54	-1.0	-41.32	423.27	6.65	-34.67
CC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292568	1	54	-1.0	-41.34	423.32	6.66	-34.68
CC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292569	0	51	-1.0	-43.81	400.14	5.91	-37.90
CC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292569	1	51	-1.0	-43.82	400.20	5.93	-37.89
CO[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292570	0	54	-1.0	-44.12	399.03	5.96	-38.16
CO[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292570	1	54	-1.0	-44.11	399.07	5.98	-38.13
CO[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292571	0	51	-1.0	-44.08	401.65	5.68	-38.40
CO[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292571	1	51	-1.0	-44.12	401.71	5.71	-38.41
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292572	0	55	-1.0	-43.54	435.15	4.91	-38.63
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292572	1	55	-1.0	-43.59	435.20	4.92	-38.67
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292573	0	52	-1.0	-48.22	400.38	4.92	-43.30
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292573	1	52	-1.0	-48.24	400.43	4.94	-43.30
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292574	0	55	-1.0	-44.29	411.82	4.55	-39.74
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292574	1	55	-1.0	-44.28	411.88	4.57	-39.71
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)CCO1	REAL300020292575	0	52	-1.0	-45.85	409.70	4.38	-41.47
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)CCO1	REAL300020292575	1	52	-1.0	-45.83	409.77	4.40	-41.43
C1=CC2(CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)OC1	REAL300020292576	0	53	-1.0	-47.15	410.87	6.76	-40.39
C1=CC2(CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)OC1	REAL300020292576	1	53	-1.0	-47.20	410.92	6.78	-40.42
CC1(C)C=CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292577	0	51	-1.0	-42.57	395.68	6.95	-35.62
CC1(C)C=CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292577	1	51	-1.0	-42.56	395.73	6.96	-35.60
CC1(C)C=CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292578	0	48	-1.0	-47.29	363.22	6.33	-40.96
CC1(C)C=CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292578	1	48	-1.0	-47.32	363.17	6.32	-41.00
O=C1N[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C[C@@H]2O1	REAL300020292579	0	50	-1.0	-50.14	399.74	2.83	-47.31
O=C1N[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C[C@@H]2O1	REAL300020292579	1	50	-1.0	-50.13	399.79	2.86	-47.27
C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292580	0	50	-1.0	-40.32	378.96	6.14	-34.18
C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292580	1	50	-1.0	-40.29	379.02	6.16	-34.13
C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292581	0	47	-1.0	-43.12	363.49	5.53	-37.59
C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292581	1	47	-1.0	-43.13	363.55	5.56	-37.57
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020292582	0	54	-1.0	-45.14	414.96	9.70	-35.44
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020292582	1	54	-1.0	-45.10	414.98	9.68	-35.42
C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292583	0	50	-1.0	-40.32	378.96	6.14	-34.18
C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292583	1	50	-1.0	-40.29	379.02	6.16	-34.13
C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292584	0	47	-1.0	-43.12	363.49	5.53	-37.59
C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292584	1	47	-1.0	-43.13	363.55	5.56	-37.57
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CCCCO1	REAL300020292585	0	54	-1.0	-45.14	414.96	9.70	-35.44
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CCCCO1	REAL300020292585	1	54	-1.0	-45.10	414.98	9.68	-35.42
C1=CC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)CC2)OC1	REAL300020292586	0	53	-1.0	-48.20	410.34	6.80	-41.40
C1=CC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)CC2)OC1	REAL300020292586	1	53	-1.0	-48.16	410.39	6.82	-41.34
CCN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292587	0	57	-1.0	-46.81	425.60	7.21	-39.60
CCN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292587	1	57	-1.0	-46.77	425.66	7.22	-39.55
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)CCCCO3)N1CC1CCCCO1	REAL300020292588	0	55	-1.0	-43.76	414.12	6.32	-37.44
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)CCCCO3)N1CC1CCCCO1	REAL300020292588	1	55	-1.0	-43.78	414.18	6.34	-37.44
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020292589	0	53	-1.0	-44.07	422.69	9.79	-34.28
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020292589	1	53	-1.0	-44.04	422.63	9.77	-34.27
CCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020292590	0	50	-1.0	-48.41	400.77	9.25	-39.16
CCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020292590	1	50	-1.0	-48.35	400.71	9.24	-39.11
C(CC1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292591	0	52	-1.0	-42.61	386.48	7.91	-34.70
C(CC1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292591	1	52	-1.0	-42.61	386.54	7.93	-34.68
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1CC1CCCCO1	REAL300020292592	0	49	-1.0	-44.59	370.72	7.39	-37.20
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1CC1CCCCO1	REAL300020292592	1	49	-1.0	-44.67	370.78	7.42	-37.25
C1=CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CCCCO3)C2)OC1	REAL300020292593	0	53	-1.0	-43.69	409.95	6.15	-37.54
C1=CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CCCCO3)C2)OC1	REAL300020292593	1	53	-1.0	-43.70	410.01	6.18	-37.52
C(CC1=NN=C(N2CCOCCOCC2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292594	0	55	-1.0	-43.73	402.95	4.52	-39.21
C(CC1=NN=C(N2CCOCCOCC2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292594	1	55	-1.0	-43.77	403.00	4.53	-39.24
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCCOCC2)N1CC1CCCCO1	REAL300020292595	0	52	-1.0	-46.88	377.00	4.36	-42.52
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCCOCC2)N1CC1CCCCO1	REAL300020292595	1	52	-1.0	-46.92	377.07	4.38	-42.54
C1=CCC2(CC2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292596	0	55	-1.0	-42.13	427.90	9.00	-33.13
C1=CCC2(CC2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292596	1	55	-1.0	-42.13	427.95	9.01	-33.12
C1=CCC2(CC2)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292597	0	52	-1.0	-44.25	401.89	8.40	-35.85
C1=CCC2(CC2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292597	1	52	-1.0	-44.25	401.94	8.43	-35.82
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020292598	0	54	-1.0	-45.75	427.30	9.83	-35.92
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020292598	1	54	-1.0	-45.75	427.35	9.85	-35.90
C(CC1=NN=C(N2CCC3CCCCC32)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292599	0	57	-1.0	-44.71	429.23	8.90	-35.81
C(CC1=NN=C(N2CCC3CCCCC32)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292599	1	57	-1.0	-44.70	429.29	8.91	-35.79
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCCC32)N1CC1CCCCO1	REAL300020292600	0	54	-1.0	-48.16	404.48	8.18	-39.98
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCCC32)N1CC1CCCCO1	REAL300020292600	1	54	-1.0	-48.18	404.53	8.22	-39.96
CCC(O)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292601	0	56	-1.0	-46.80	428.67	5.15	-41.65
CCC(O)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292601	1	56	-1.0	-46.77	428.73	5.16	-41.61
CCC(O)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292602	0	53	-1.0	-51.32	406.14	4.83	-46.49
CCC(O)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292602	1	53	-1.0	-51.36	406.22	4.85	-46.51
CCN(CCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292603	0	56	-1.0	-46.68	430.15	4.27	-42.41
CCN(CCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292603	1	56	-1.0	-46.70	430.21	4.29	-42.41
CCN(CCCCO)C1=NN=C(CC2=N[N-]N=N2)N1CC1CCCCO1	REAL300020292604	0	53	-1.0	-48.00	415.13	3.85	-44.15
CCN(CCCCO)C1=NN=C(CC2=NN=N[N-]2)N1CC1CCCCO1	REAL300020292604	1	53	-1.0	-47.99	415.19	3.86	-44.13
CN1C(=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CCCCO2)[C@H]2C[C@H]21	REAL300020292605	0	52	-1.0	-42.70	411.97	6.10	-36.60
CN1C(=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CCCCO2)[C@H]2C[C@H]21	REAL300020292605	1	52	-1.0	-42.70	412.03	6.12	-36.58
CN1C(=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)[C@H]2C[C@H]21	REAL300020292606	0	49	-1.0	-45.62	396.03	5.55	-40.07
CN1C(=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)[C@H]2C[C@H]21	REAL300020292606	1	49	-1.0	-45.66	396.09	5.57	-40.09
FC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292607	0	51	-1.0	-42.55	401.18	8.32	-34.23
FC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292607	1	51	-1.0	-42.56	401.23	8.33	-34.23
FC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CCCCO1)C2	REAL300020292608	0	48	-1.0	-49.91	365.33	8.28	-41.63
FC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CCCCO1)C2	REAL300020292608	1	48	-1.0	-49.92	365.38	8.29	-41.63
C(CC1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292609	0	49	-1.0	-45.08	377.33	4.28	-40.80
C(CC1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292609	1	49	-1.0	-45.09	377.39	4.29	-40.80
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1CC1CCCCO1	REAL300020292610	0	46	-1.0	-49.90	351.50	3.67	-46.23
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1CC1CCCCO1	REAL300020292610	1	46	-1.0	-49.90	351.56	3.69	-46.21
CC(C)CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)=N1	REAL300020292611	0	53	-1.0	-48.60	420.58	10.03	-38.57
CC(C)CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)=N1	REAL300020292611	1	53	-1.0	-48.59	420.52	10.01	-38.58
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CCCCO2)C1	REAL300020292612	0	54	-1.0	-54.74	419.69	4.80	-49.94
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CCCCO2)C1	REAL300020292612	1	54	-1.0	-54.73	419.74	4.81	-49.92
C(CC1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1CC1CCCCO1)C1=N[N-]N=N1	REAL300020292613	0	53	-1.0	-45.31	398.97	5.16	-40.15
C(CC1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1CC1CCCCO1)C1=NN=N[N-]1	REAL300020292613	1	53	-1.0	-45.30	399.03	5.17	-40.13
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1CC1CCCCO1	REAL300020292614	0	50	-1.0	-44.77	378.95	4.74	-40.03
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1CC1CCCCO1	REAL300020292614	1	50	-1.0	-44.79	379.01	4.76	-40.03
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020292615	0	52	-1.0	-44.65	421.86	8.16	-36.49
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020292615	1	52	-1.0	-44.61	421.92	8.17	-36.44
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020292616	0	49	-1.0	-50.52	401.23	7.38	-43.14
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020292616	1	49	-1.0	-50.48	401.17	7.35	-43.13
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292617	0	55	-1.0	-53.24	438.94	7.68	-45.56
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292617	1	55	-1.0	-53.26	438.88	7.67	-45.59
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020292618	0	55	-1.0	-44.85	413.43	7.50	-37.35
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020292618	1	55	-1.0	-44.84	413.48	7.51	-37.33
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020292619	0	52	-1.0	-49.68	402.01	6.73	-42.95
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020292619	1	52	-1.0	-49.68	402.06	6.75	-42.93
CCSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292620	0	55	-1.0	-39.83	432.11	8.15	-31.68
CCSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292620	1	55	-1.0	-39.80	432.17	8.16	-31.64
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292621	0	57	-1.0	-45.51	440.88	7.22	-38.29
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292621	1	57	-1.0	-45.53	440.93	7.23	-38.30
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292622	0	54	-1.0	-49.67	415.86	6.45	-43.22
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292622	1	54	-1.0	-49.67	415.91	6.47	-43.20
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020292623	0	53	-1.0	-41.50	415.41	8.28	-33.22
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020292623	1	53	-1.0	-41.51	415.37	8.26	-33.25
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020292624	0	52	-1.0	-49.99	416.85	4.69	-45.30
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020292624	1	52	-1.0	-49.98	416.91	4.72	-45.26
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020292625	0	47	-1.0	-43.78	393.40	6.12	-37.66
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020292625	1	47	-1.0	-43.80	393.46	6.13	-37.67
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020292626	0	44	-1.0	-41.28	362.88	5.63	-35.65
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020292626	1	44	-1.0	-41.31	362.93	5.66	-35.65
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C(C)C	REAL300020292627	0	51	-1.0	-44.44	405.22	5.20	-39.24
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C(C)C	REAL300020292627	1	51	-1.0	-44.43	405.27	5.22	-39.21
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C(C)C	REAL300020292628	0	48	-1.0	-49.58	381.33	5.54	-44.04
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C(C)C	REAL300020292628	1	48	-1.0	-49.53	381.27	5.51	-44.02
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C)C(C)C	REAL300020292629	0	55	-1.0	-45.17	426.58	7.47	-37.70
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C)C(C)C	REAL300020292629	1	55	-1.0	-45.15	426.61	7.44	-37.71
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020292630	0	53	-1.0	-46.57	425.06	3.69	-42.88
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020292630	1	53	-1.0	-46.58	425.11	3.71	-42.87
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020292631	0	50	-1.0	-51.28	403.13	2.91	-48.37
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020292631	1	50	-1.0	-51.31	403.19	2.94	-48.37
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292632	0	52	-1.0	-49.74	410.78	6.90	-42.84
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292632	1	52	-1.0	-49.70	410.84	6.92	-42.78
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020292633	0	54	-1.0	-41.85	429.36	5.64	-36.21
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020292633	1	54	-1.0	-41.85	429.41	5.67	-36.18
CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292634	0	58	-1.0	-43.74	433.46	7.03	-36.71
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292634	1	58	-1.0	-43.73	433.51	7.04	-36.69
CC1CCCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292635	0	58	-1.0	-43.55	433.10	7.80	-35.75
CC1CCCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292635	1	58	-1.0	-43.56	433.16	7.81	-35.75
CC1CCCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292636	0	55	-1.0	-41.78	418.89	7.46	-34.32
CC1CCCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292636	1	55	-1.0	-41.81	418.94	7.47	-34.34
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292637	0	52	-1.0	-43.01	408.25	6.69	-36.32
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292637	1	52	-1.0	-42.99	408.31	6.71	-36.28
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292638	0	49	-1.0	-50.14	394.20	6.19	-43.95
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292638	1	49	-1.0	-50.18	394.15	6.16	-44.02
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1C	REAL300020292639	0	52	-1.0	-44.26	395.27	6.64	-37.62
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1C	REAL300020292639	1	52	-1.0	-44.35	395.32	6.66	-37.69
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1C	REAL300020292640	0	49	-1.0	-49.28	388.00	5.18	-44.10
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1C	REAL300020292640	1	49	-1.0	-49.29	388.05	5.20	-44.09
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020292641	0	56	-1.0	-49.70	418.95	5.74	-43.96
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020292641	1	56	-1.0	-49.67	419.00	5.77	-43.90
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292642	0	55	-1.0	-48.24	435.02	7.85	-40.39
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292642	1	55	-1.0	-48.16	434.96	7.82	-40.34
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292643	0	55	-1.0	-48.56	441.03	8.64	-39.92
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292643	1	55	-1.0	-48.49	440.98	8.62	-39.87
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C(C)C	REAL300020292644	0	60	-1.0	-45.19	462.35	7.80	-37.39
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C(C)C	REAL300020292644	1	60	-1.0	-45.24	462.41	7.82	-37.42
CCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C(C)C	REAL300020292645	0	57	-1.0	-50.35	441.53	7.03	-43.32
CCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C(C)C	REAL300020292645	1	57	-1.0	-50.34	441.58	7.05	-43.29
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020292646	0	49	-1.0	-46.61	396.56	2.31	-44.30
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020292646	1	49	-1.0	-46.63	396.58	2.34	-44.29
CC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292647	0	58	-1.0	-44.30	442.48	7.22	-37.08
CC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292647	1	58	-1.0	-44.34	442.54	7.23	-37.11
CC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292648	0	55	-1.0	-48.40	420.56	6.45	-41.95
CC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292648	1	55	-1.0	-48.45	420.62	6.47	-41.98
CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292649	0	49	-1.0	-48.84	417.42	6.98	-41.86
CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292649	1	49	-1.0	-48.79	417.37	6.95	-41.84
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020292650	0	50	-1.0	-44.77	388.12	5.30	-39.47
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020292650	1	50	-1.0	-44.79	388.17	5.32	-39.47
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020292651	0	47	-1.0	-47.83	377.09	5.91	-41.92
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020292651	1	47	-1.0	-47.81	377.14	5.93	-41.88
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292652	0	58	-1.0	-47.04	431.23	8.16	-38.88
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292652	1	58	-1.0	-47.03	431.29	8.19	-38.84
C#CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292653	0	47	-1.0	-43.89	389.18	6.20	-37.69
C#CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292653	1	47	-1.0	-43.83	389.24	6.21	-37.62
C#CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292654	0	44	-1.0	-40.17	353.36	5.52	-34.65
C#CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292654	1	44	-1.0	-40.18	353.30	5.50	-34.68
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020292655	0	51	-1.0	-43.99	412.33	8.28	-35.71
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020292655	1	51	-1.0	-43.99	412.37	8.25	-35.74
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020292656	0	58	-1.0	-42.21	434.20	9.00	-33.21
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020292656	1	58	-1.0	-42.24	434.25	9.02	-33.22
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020292657	0	55	-1.0	-47.08	404.42	7.20	-39.88
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020292657	1	55	-1.0	-47.09	404.48	7.23	-39.86
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292658	0	53	-1.0	-44.19	417.43	6.99	-37.20
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292658	1	53	-1.0	-44.12	417.45	7.00	-37.12
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292659	0	50	-1.0	-49.27	406.98	7.70	-41.57
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292659	1	50	-1.0	-49.26	406.92	7.68	-41.58
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020292660	0	55	-1.0	-46.58	438.63	4.17	-42.41
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020292660	1	55	-1.0	-46.61	438.69	4.19	-42.42
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020292661	0	52	-1.0	-50.15	424.13	3.31	-46.84
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020292661	1	52	-1.0	-50.21	424.18	3.34	-46.87
CC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292662	0	55	-1.0	-44.82	433.55	6.75	-38.07
CC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292662	1	55	-1.0	-44.80	433.60	6.76	-38.04
CC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292663	0	52	-1.0	-49.51	408.59	5.80	-43.71
CC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292663	1	52	-1.0	-49.53	408.64	5.83	-43.70
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292664	0	53	-1.0	-43.26	419.90	7.92	-35.34
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292664	1	53	-1.0	-43.21	419.85	7.89	-35.32
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292665	0	53	-1.0	-44.28	428.90	7.10	-37.18
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292665	1	53	-1.0	-44.27	428.95	7.11	-37.16
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292666	0	50	-1.0	-41.36	401.35	6.94	-34.42
C=CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292666	1	50	-1.0	-41.37	401.32	6.92	-34.45
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292667	0	53	-1.0	-50.62	440.61	7.65	-42.97
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292667	1	53	-1.0	-50.68	440.67	7.67	-43.01
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020292668	0	50	-1.0	-46.93	396.81	10.05	-36.88
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020292668	1	50	-1.0	-46.97	396.87	10.06	-36.91
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020292669	0	47	-1.0	-46.78	375.42	9.45	-37.33
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020292669	1	47	-1.0	-46.79	375.35	9.44	-37.35
CC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=C1	REAL300020292670	0	52	-1.0	-48.05	423.57	9.10	-38.95
CC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=C1	REAL300020292670	1	52	-1.0	-48.00	423.62	9.12	-38.88
CC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=C1	REAL300020292671	0	49	-1.0	-54.97	405.90	8.45	-46.52
CC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=C1	REAL300020292671	1	49	-1.0	-54.97	405.84	8.42	-46.55
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020292672	0	52	-1.0	-46.46	420.04	8.95	-37.51
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020292672	1	52	-1.0	-46.50	420.10	8.96	-37.54
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020292673	0	49	-1.0	-54.60	406.03	8.40	-46.20
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020292673	1	49	-1.0	-54.61	405.97	8.37	-46.24
CC1=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)=CC(C)=C1	REAL300020292674	0	55	-1.0	-46.70	441.52	9.62	-37.08
CC1=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)=CC(C)=C1	REAL300020292674	1	55	-1.0	-46.64	441.57	9.63	-37.01
CC1=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=CC(C)=C1	REAL300020292675	0	52	-1.0	-55.36	427.77	9.09	-46.27
CC1=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=CC(C)=C1	REAL300020292675	1	52	-1.0	-55.32	427.71	9.06	-46.26
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1C	REAL300020292676	0	55	-1.0	-44.79	431.90	10.80	-33.99
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1C	REAL300020292676	1	55	-1.0	-44.82	431.95	10.81	-34.01
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1C	REAL300020292677	0	52	-1.0	-42.33	403.19	10.09	-32.24
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1C	REAL300020292677	1	52	-1.0	-42.29	403.11	10.07	-32.22
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020292678	0	55	-1.0	-54.50	441.33	9.56	-44.94
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020292678	1	55	-1.0	-54.53	441.27	9.53	-45.00
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=NN=N[N-]3)N1CCC(=O)N(C)C)CC2	REAL300020292679	0	53	-1.0	-46.52	412.20	10.76	-35.76
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=N[N-]N=N3)N1CCC(=O)N(C)C)CC2	REAL300020292679	1	53	-1.0	-46.47	412.14	10.74	-35.73
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292680	0	53	-1.0	-46.98	418.26	10.71	-36.27
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292680	1	53	-1.0	-46.99	418.32	10.73	-36.26
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292681	0	50	-1.0	-46.52	396.04	10.14	-36.38
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292681	1	50	-1.0	-46.53	395.97	10.13	-36.40
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=C1	REAL300020292682	0	55	-1.0	-55.20	444.31	9.69	-45.51
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=C1	REAL300020292682	1	55	-1.0	-55.20	444.26	9.66	-45.54
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020292683	0	51	-1.0	-46.27	406.58	10.79	-35.48
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020292683	1	51	-1.0	-46.27	406.52	10.78	-35.49
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020292684	0	56	-1.0	-51.86	444.69	4.32	-47.54
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020292684	1	56	-1.0	-51.83	444.75	4.34	-47.49
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020292685	0	50	-1.0	-50.85	405.38	6.84	-44.01
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020292685	1	50	-1.0	-50.87	405.44	6.87	-44.00
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCC(=O)N(C)C)CC2=N1	REAL300020292686	0	49	-1.0	-49.63	401.75	5.42	-44.21
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCC(=O)N(C)C)CC2=N1	REAL300020292686	1	49	-1.0	-49.65	401.81	5.45	-44.20
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC1	REAL300020292687	0	49	-1.0	-44.77	384.38	6.32	-38.45
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC1	REAL300020292687	1	49	-1.0	-44.74	384.44	6.33	-38.41
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC1	REAL300020292688	0	46	-1.0	-48.70	374.91	5.58	-43.12
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC1	REAL300020292688	1	46	-1.0	-48.72	374.85	5.55	-43.17
CN(C)C(=O)CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1	REAL300020292689	0	53	-1.0	-45.22	420.93	8.62	-36.60
CN(C)C(=O)CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC1	REAL300020292689	1	53	-1.0	-45.13	420.96	8.60	-36.53
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C2CCCCC12	REAL300020292690	0	56	-1.0	-49.90	433.37	7.79	-42.11
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C2CCCCC12	REAL300020292690	1	56	-1.0	-49.91	433.42	7.81	-42.10
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292691	0	58	-1.0	-40.05	425.44	8.63	-31.42
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292691	1	58	-1.0	-40.02	425.49	8.64	-31.38
CC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292692	0	50	-1.0	-43.78	405.28	6.91	-36.87
CC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292692	1	50	-1.0	-43.81	405.34	6.93	-36.88
CC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292693	0	47	-1.0	-49.24	378.18	6.25	-42.99
CC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292693	1	47	-1.0	-49.22	378.12	6.23	-42.99
CC1SCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1C	REAL300020292694	0	53	-1.0	-43.77	425.64	6.42	-37.35
CC1SCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1C	REAL300020292694	1	53	-1.0	-43.77	425.70	6.43	-37.34
CC1SCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1C	REAL300020292695	0	50	-1.0	-48.04	407.46	5.47	-42.57
CC1SCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1C	REAL300020292695	1	50	-1.0	-48.07	407.53	5.49	-42.58
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292696	0	52	-1.0	-43.78	413.65	6.61	-37.17
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292696	1	52	-1.0	-43.74	413.70	6.63	-37.11
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292697	0	49	-1.0	-42.26	388.10	5.91	-36.35
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292697	1	49	-1.0	-42.28	388.16	5.93	-36.35
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020292698	0	58	-1.0	-40.80	432.77	7.34	-33.46
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020292698	1	58	-1.0	-40.87	432.83	7.36	-33.51
C#CCN(CC#CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292699	0	49	-1.0	-44.07	410.45	7.59	-36.48
C#CCN(CC#CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292699	1	49	-1.0	-44.11	410.51	7.61	-36.50
C#CCN(CC#CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292700	0	46	-1.0	-43.78	389.09	6.96	-36.82
C#CCN(CC#CC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292700	1	46	-1.0	-43.74	389.25	6.94	-36.80
CC1=C(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292701	0	53	-1.0	-45.22	414.99	6.94	-38.28
CC1=C(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292701	1	53	-1.0	-45.20	415.05	6.95	-38.25
CC1=C(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292702	0	50	-1.0	-50.13	393.23	6.14	-43.99
CC1=C(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292702	1	50	-1.0	-50.14	393.18	6.12	-44.02
CCN(CC1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292703	0	55	-1.0	-43.80	432.60	7.17	-36.63
CCN(CC1CCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292703	1	55	-1.0	-43.82	432.66	7.19	-36.63
CCN(CC1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292704	0	52	-1.0	-43.07	404.01	6.37	-36.70
CCN(CC1CCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292704	1	52	-1.0	-43.04	404.06	6.39	-36.65
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020292705	0	54	-1.0	-43.56	396.92	5.95	-37.61
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020292705	1	54	-1.0	-43.57	396.97	5.97	-37.60
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020292706	0	51	-1.0	-42.99	375.50	5.42	-37.57
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020292706	1	51	-1.0	-43.02	375.56	5.44	-37.58
CSCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292707	0	49	-1.0	-45.93	407.05	6.41	-39.52
CSCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292707	1	49	-1.0	-45.94	407.11	6.42	-39.52
CSCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292708	0	46	-1.0	-48.20	392.53	5.55	-42.65
CSCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292708	1	46	-1.0	-48.22	392.59	5.57	-42.65
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292709	0	58	-1.0	-42.54	435.38	8.21	-34.33
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292709	1	58	-1.0	-42.56	435.44	8.22	-34.34
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292710	0	55	-1.0	-48.80	422.69	7.47	-41.33
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292710	1	55	-1.0	-48.82	422.74	7.49	-41.33
CSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292711	0	53	-1.0	-43.45	423.37	7.35	-36.10
CSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292711	1	53	-1.0	-43.46	423.43	7.37	-36.09
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020292712	0	58	-1.0	-42.90	440.85	7.68	-35.22
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020292712	1	58	-1.0	-42.95	440.91	7.70	-35.25
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020292713	0	55	-1.0	-48.28	414.03	8.15	-40.13
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020292713	1	55	-1.0	-48.27	414.08	8.17	-40.10
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020292714	0	54	-1.0	-51.55	416.49	5.09	-46.46
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020292714	1	54	-1.0	-51.51	416.56	5.11	-46.40
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020292715	0	56	-1.0	-48.39	438.62	7.76	-40.63
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020292715	1	56	-1.0	-48.40	438.68	7.77	-40.63
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020292716	0	56	0.0	-61.64	427.91	7.72	-53.92
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020292716	1	56	0.0	-61.54	427.99	7.54	-54.00
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020292716	1	56	0.0	-61.51	427.99	7.69	-53.82
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020292716	1	56	0.0	-61.53	428.05	7.56	-53.97
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020292717	0	56	-1.0	-45.13	427.25	6.85	-38.28
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020292717	1	56	-1.0	-45.14	427.31	6.87	-38.27
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020292718	0	53	-1.0	-48.90	405.65	6.55	-42.35
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020292718	1	53	-1.0	-48.92	405.69	6.57	-42.35
C=CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CC1	REAL300020292719	0	50	-1.0	-43.43	405.33	6.76	-36.67
C=CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CC1	REAL300020292719	1	50	-1.0	-43.39	405.39	6.78	-36.61
C=CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CC1	REAL300020292720	0	47	-1.0	-40.70	372.95	6.62	-34.08
C=CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CC1	REAL300020292720	1	47	-1.0	-40.66	372.90	6.62	-34.04
COCC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292721	0	56	-1.0	-51.80	425.91	6.29	-45.51
COCC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292721	1	56	-1.0	-51.76	425.96	6.32	-45.44
CCC1C(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292722	0	55	-1.0	-44.70	425.19	6.52	-38.18
CCC1C(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292722	1	55	-1.0	-44.67	425.25	6.54	-38.13
CCC1C(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292723	0	52	-1.0	-49.52	404.73	5.75	-43.77
CCC1C(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292723	1	52	-1.0	-49.47	404.78	5.77	-43.70
COCC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292724	0	54	-1.0	-45.24	429.94	5.47	-39.77
COCC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292724	1	54	-1.0	-45.28	430.00	5.49	-39.79
COCC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292725	0	51	-1.0	-49.53	409.79	5.52	-44.01
COCC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292725	1	51	-1.0	-49.59	409.85	5.55	-44.04
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1C	REAL300020292726	0	55	-1.0	-43.58	419.19	7.49	-36.09
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1C	REAL300020292726	1	55	-1.0	-43.60	419.24	7.51	-36.09
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1C	REAL300020292727	0	52	-1.0	-51.30	399.10	6.69	-44.61
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1C	REAL300020292727	1	52	-1.0	-51.30	399.15	6.72	-44.58
CSCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292728	0	52	-1.0	-44.85	428.54	7.20	-37.65
CSCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292728	1	52	-1.0	-44.87	428.60	7.21	-37.66
CSCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292729	0	49	-1.0	-48.71	414.45	6.32	-42.39
CSCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292729	1	49	-1.0	-48.71	414.50	6.35	-42.36
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020292730	0	53	-1.0	-42.81	421.70	8.29	-34.52
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020292730	1	53	-1.0	-42.82	421.64	8.28	-34.54
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020292731	0	50	-1.0	-44.32	392.77	4.27	-40.05
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020292731	1	50	-1.0	-44.33	392.83	4.29	-40.04
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020292732	0	47	-1.0	-41.03	362.77	3.65	-37.38
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020292732	1	47	-1.0	-41.01	362.83	3.66	-37.35
CC(CC#N)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292733	0	49	-1.0	-50.81	388.89	6.16	-44.65
CC(CC#N)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292733	1	49	-1.0	-50.78	388.95	6.17	-44.61
CC(CC#N)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292734	0	46	-1.0	-47.00	366.14	5.63	-41.37
CC(CC#N)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292734	1	46	-1.0	-47.06	366.19	5.64	-41.42
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020292735	0	53	-1.0	-45.53	434.86	7.11	-38.42
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020292735	1	53	-1.0	-45.55	434.92	7.12	-38.43
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020292736	0	50	-1.0	-42.21	409.36	6.40	-35.81
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020292736	1	50	-1.0	-42.20	409.39	6.42	-35.78
COCCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292737	0	53	-1.0	-47.48	434.67	4.61	-42.87
COCCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292737	1	53	-1.0	-47.48	434.73	4.63	-42.85
COCCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292738	0	50	-1.0	-42.07	403.99	3.81	-38.26
COCCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292738	1	50	-1.0	-42.12	404.05	3.82	-38.30
CC(C)CCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292739	0	55	-1.0	-40.25	431.05	6.77	-33.48
CC(C)CCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292739	1	55	-1.0	-40.26	431.10	6.78	-33.48
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020292740	0	50	-1.0	-47.59	396.43	3.30	-44.29
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020292740	1	50	-1.0	-47.63	396.49	3.31	-44.32
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020292741	0	47	-1.0	-42.13	371.09	2.55	-39.58
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020292741	1	47	-1.0	-42.17	371.15	2.57	-39.60
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCC(=O)N(C)C)C2	REAL300020292742	0	53	-1.0	-49.88	421.54	8.40	-41.48
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCC(=O)N(C)C)C2	REAL300020292742	1	53	-1.0	-49.87	421.48	8.38	-41.49
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292743	0	49	-1.0	-49.41	401.81	6.81	-42.60
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292743	1	49	-1.0	-49.38	401.75	6.79	-42.59
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC1	REAL300020292744	0	47	-1.0	-44.28	385.40	6.47	-37.81
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC1	REAL300020292744	1	47	-1.0	-44.31	385.45	6.48	-37.83
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC1	REAL300020292745	0	44	-1.0	-49.33	356.60	5.38	-43.95
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC1	REAL300020292745	1	44	-1.0	-49.33	356.54	5.35	-43.98
CN(C)C(=O)CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC1	REAL300020292746	0	51	-1.0	-44.70	413.49	8.21	-36.49
CN(C)C(=O)CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC1	REAL300020292746	1	51	-1.0	-44.90	405.13	8.27	-36.63
CCC(CC)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292747	0	60	-1.0	-46.12	453.70	9.25	-36.87
CCC(CC)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292747	1	60	-1.0	-46.14	453.76	9.26	-36.88
CCC(CC)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292748	0	57	-1.0	-52.79	432.19	8.46	-44.33
CCC(CC)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292748	1	57	-1.0	-52.81	432.25	8.49	-44.32
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CC1	REAL300020292749	0	58	-1.0	-42.62	459.61	8.32	-34.30
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CC1	REAL300020292749	1	58	-1.0	-42.66	459.67	8.33	-34.33
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CC1	REAL300020292750	0	55	-1.0	-41.93	434.09	7.63	-34.30
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CC1	REAL300020292750	1	55	-1.0	-41.88	434.13	7.65	-34.23
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292751	0	53	-1.0	-51.44	431.06	7.81	-43.63
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292751	1	53	-1.0	-51.43	431.00	7.79	-43.64
COCCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292752	0	58	-1.0	-45.63	452.16	5.94	-39.69
COCCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292752	1	58	-1.0	-45.66	452.22	5.96	-39.70
COCCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292753	0	55	-1.0	-51.59	432.98	4.92	-46.67
COCCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292753	1	55	-1.0	-51.59	433.04	4.95	-46.64
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CCCC1	REAL300020292754	0	58	-1.0	-49.14	441.77	7.66	-41.48
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CCCC1	REAL300020292754	1	58	-1.0	-49.15	441.82	7.68	-41.47
CC1COCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292755	0	50	-1.0	-45.10	398.47	4.11	-40.99
CC1COCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292755	1	50	-1.0	-45.13	398.53	4.13	-41.00
CC1COCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292756	0	47	-1.0	-43.30	376.67	3.45	-39.85
CC1COCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292756	1	47	-1.0	-43.33	376.73	3.47	-39.86
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C(C)C	REAL300020292757	0	57	-1.0	-45.06	430.93	6.30	-38.76
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C(C)C	REAL300020292757	1	57	-1.0	-45.11	430.99	6.32	-38.79
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C(C)C	REAL300020292758	0	54	-1.0	-49.43	407.12	5.59	-43.84
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C(C)C	REAL300020292758	1	54	-1.0	-49.40	407.18	5.61	-43.79
CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292759	0	54	-1.0	-45.08	421.60	6.58	-38.50
CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292759	1	54	-1.0	-45.14	421.65	6.59	-38.55
CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292760	0	51	-1.0	-50.01	398.03	5.78	-44.23
CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292760	1	51	-1.0	-50.01	398.09	5.81	-44.20
CCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292761	0	54	-1.0	-42.65	410.58	7.34	-35.31
CCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292761	1	54	-1.0	-42.67	410.63	7.35	-35.32
CCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292762	0	51	-1.0	-40.54	387.80	6.82	-33.72
CCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292762	1	51	-1.0	-40.54	387.85	6.83	-33.71
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020292763	0	51	-1.0	-54.08	409.64	3.89	-50.19
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020292763	1	51	-1.0	-54.13	409.58	3.86	-50.27
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020292764	0	53	-1.0	-46.36	439.72	5.28	-41.08
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020292764	1	53	-1.0	-46.39	439.78	5.29	-41.10
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020292765	0	50	-1.0	-50.69	406.39	4.79	-45.90
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020292765	1	50	-1.0	-50.73	406.32	4.76	-45.97
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292766	0	55	-1.0	-52.01	438.92	7.98	-44.03
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292766	1	55	-1.0	-51.98	438.99	8.01	-43.97
COCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292767	0	56	-1.0	-50.94	444.18	3.30	-47.64
COCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292767	1	56	-1.0	-50.88	444.24	3.33	-47.55
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292768	0	56	-1.0	-44.69	437.66	5.32	-39.37
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292768	1	56	-1.0	-44.68	437.72	5.34	-39.34
C[C@H]1COC(C)(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292769	0	53	-1.0	-49.61	418.58	4.60	-45.01
C[C@H]1COC(C)(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292769	1	53	-1.0	-49.63	418.63	4.63	-45.00
CC1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292770	0	50	-1.0	-44.82	398.02	6.77	-38.05
CC1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292770	1	50	-1.0	-44.78	398.08	6.79	-37.99
CC1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292771	0	47	-1.0	-42.44	371.67	5.32	-37.12
CC1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292771	1	47	-1.0	-42.47	371.62	5.31	-37.16
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292772	0	56	-1.0	-49.15	430.47	5.58	-43.57
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292772	1	56	-1.0	-49.15	430.53	5.61	-43.54
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020292773	0	56	-1.0	-42.71	439.79	8.34	-34.37
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020292773	1	56	-1.0	-42.74	439.85	8.36	-34.38
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020292774	0	50	-1.0	-44.44	406.50	4.95	-39.49
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020292774	1	50	-1.0	-44.47	406.56	4.97	-39.50
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020292775	0	47	-1.0	-42.57	382.42	4.23	-38.34
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020292775	1	47	-1.0	-42.56	382.48	4.25	-38.31
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020292776	0	53	-1.0	-46.32	421.89	7.54	-38.78
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020292776	1	53	-1.0	-46.23	421.94	7.55	-38.68
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020292777	0	50	-1.0	-51.44	399.83	6.77	-44.67
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020292777	1	50	-1.0	-51.48	399.78	6.74	-44.74
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020292778	0	49	-1.0	-46.61	396.56	2.31	-44.30
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020292778	1	49	-1.0	-46.63	396.58	2.34	-44.29
CCCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292779	0	54	-1.0	-43.78	432.21	7.20	-36.58
CCCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292779	1	54	-1.0	-43.86	432.26	7.22	-36.64
CCCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292780	0	51	-1.0	-41.00	393.68	5.84	-35.16
CCCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292780	1	51	-1.0	-41.02	393.73	5.86	-35.16
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292781	0	50	-1.0	-42.23	408.79	6.99	-35.24
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292781	1	50	-1.0	-42.27	408.85	7.01	-35.26
C=CCN(CC=C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292782	0	47	-1.0	-47.71	394.12	6.01	-41.70
C=CCN(CC=C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292782	1	47	-1.0	-47.76	394.07	5.98	-41.78
COCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292783	0	56	-1.0	-45.75	456.16	3.74	-42.01
COCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292783	1	56	-1.0	-45.75	456.22	3.76	-41.99
COCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292784	0	53	-1.0	-50.58	435.23	3.01	-47.57
COCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292784	1	53	-1.0	-50.59	435.27	3.03	-47.56
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020292785	0	53	-1.0	-52.11	423.09	4.34	-47.77
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020292785	1	53	-1.0	-52.08	423.03	4.31	-47.77
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CCCCC1	REAL300020292786	0	58	-1.0	-44.74	447.35	6.93	-37.81
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CCCCC1	REAL300020292786	1	58	-1.0	-44.72	447.41	6.94	-37.78
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CCCCC1	REAL300020292787	0	55	-1.0	-49.48	425.20	6.10	-43.38
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CCCCC1	REAL300020292787	1	55	-1.0	-49.46	425.26	6.12	-43.34
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292788	0	55	-1.0	-43.37	439.74	8.34	-35.03
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292788	1	55	-1.0	-43.36	439.79	8.35	-35.01
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292789	0	52	-1.0	-49.19	426.43	7.67	-41.52
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292789	1	52	-1.0	-49.18	426.38	7.64	-41.54
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020292790	0	55	-1.0	-42.86	414.13	8.39	-34.47
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020292790	1	55	-1.0	-42.86	414.19	8.41	-34.45
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020292791	0	52	-1.0	-48.16	396.33	7.72	-40.44
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020292791	1	52	-1.0	-48.19	396.38	7.75	-40.44
CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292792	0	54	-1.0	-44.55	421.54	6.54	-38.01
CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292792	1	54	-1.0	-44.53	421.60	6.55	-37.98
CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292793	0	51	-1.0	-49.86	401.05	5.75	-44.11
CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292793	1	51	-1.0	-49.85	401.11	5.78	-44.07
CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292794	0	55	-1.0	-43.04	439.95	7.87	-35.17
CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292794	1	55	-1.0	-43.04	440.01	7.88	-35.16
CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292795	0	52	-1.0	-42.43	409.99	6.65	-35.78
CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292795	1	52	-1.0	-42.40	410.06	6.67	-35.73
C=C(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292796	0	52	-1.0	-44.34	412.68	6.20	-38.14
C=C(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292796	1	52	-1.0	-44.37	412.73	6.22	-38.15
C=C(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292797	0	49	-1.0	-49.57	390.84	5.43	-44.14
C=C(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292797	1	49	-1.0	-49.58	390.78	5.41	-44.17
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292798	0	51	-1.0	-63.65	421.45	1.71	-61.94
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292798	1	51	-1.0	-63.66	421.51	1.73	-61.93
CCN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292799	0	55	-1.0	-43.67	430.42	7.24	-36.43
CCN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292799	1	55	-1.0	-43.68	430.47	7.25	-36.43
CCN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292800	0	52	-1.0	-48.21	412.42	6.62	-41.59
CCN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292800	1	52	-1.0	-48.19	412.47	6.65	-41.54
CSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292801	0	55	-1.0	-42.38	433.82	7.79	-34.59
CSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292801	1	55	-1.0	-42.38	433.87	7.81	-34.57
CSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292802	0	52	-1.0	-40.29	411.68	7.29	-33.00
CSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292802	1	52	-1.0	-40.30	411.74	7.30	-33.00
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020292803	0	48	-1.0	-47.43	391.10	5.30	-42.13
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020292803	1	48	-1.0	-47.49	391.15	5.32	-42.17
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020292804	0	45	-1.0	-53.53	383.24	4.62	-48.91
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020292804	1	45	-1.0	-53.53	383.17	4.60	-48.93
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020292805	0	58	0.0	-62.51	425.89	7.39	-55.12
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020292805	1	58	0.0	-62.09	425.64	7.43	-54.66
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020292805	1	58	0.0	-62.60	425.95	7.41	-55.19
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020292805	1	58	0.0	-62.15	425.71	7.44	-54.71
CC1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292806	0	52	-1.0	-43.58	410.82	6.89	-36.69
CC1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292806	1	52	-1.0	-43.55	410.89	6.91	-36.64
CC1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292807	0	49	-1.0	-49.08	392.90	6.22	-42.86
CC1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292807	1	49	-1.0	-49.12	392.95	6.25	-42.87
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020292808	0	53	-1.0	-49.81	438.23	8.51	-41.30
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020292808	1	53	-1.0	-49.85	438.18	8.49	-41.36
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020292809	0	47	-1.0	-48.50	395.72	6.58	-41.92
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020292809	1	47	-1.0	-48.49	395.78	6.61	-41.88
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292810	0	53	-1.0	-45.74	423.96	3.89	-41.85
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292810	1	53	-1.0	-45.80	424.01	3.90	-41.90
CC1CN(C)C(=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292811	0	50	-1.0	-44.81	398.80	3.17	-41.64
CC1CN(C)C(=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292811	1	50	-1.0	-44.82	398.85	3.18	-41.64
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020292812	0	56	-1.0	-44.00	443.49	8.22	-35.78
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020292812	1	56	-1.0	-44.03	443.55	8.23	-35.80
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020292813	0	53	-1.0	-49.15	414.62	6.98	-42.17
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020292813	1	53	-1.0	-49.15	414.67	7.01	-42.14
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292814	0	53	-1.0	-44.48	431.70	5.34	-39.14
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292814	1	53	-1.0	-44.47	431.76	5.35	-39.12
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292815	0	50	-1.0	-49.06	410.67	4.56	-44.50
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292815	1	50	-1.0	-49.05	410.61	4.54	-44.51
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292816	0	57	-1.0	-45.51	440.88	7.22	-38.29
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292816	1	57	-1.0	-45.53	440.93	7.23	-38.30
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292817	0	54	-1.0	-49.67	415.86	6.45	-43.22
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292817	1	54	-1.0	-49.67	415.91	6.47	-43.20
CC(C)CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292818	0	58	-1.0	-49.99	448.76	7.38	-42.61
CC(C)CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292818	1	58	-1.0	-49.98	448.81	7.40	-42.58
CCN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292819	0	56	-1.0	-47.41	435.95	5.25	-42.16
CCN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292819	1	56	-1.0	-47.41	436.01	5.26	-42.15
CCN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292820	0	53	-1.0	-53.67	414.22	4.43	-49.24
CCN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292820	1	53	-1.0	-53.66	414.28	4.46	-49.20
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020292821	0	50	-1.0	-45.61	388.57	5.76	-39.85
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020292821	1	50	-1.0	-45.61	388.62	5.77	-39.84
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020292822	0	47	-1.0	-44.52	362.81	5.03	-39.49
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020292822	1	47	-1.0	-44.53	362.86	5.06	-39.47
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020292823	0	53	-1.0	-41.86	418.63	8.53	-33.33
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020292823	1	53	-1.0	-41.98	419.13	8.54	-33.44
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292824	0	52	-1.0	-52.22	430.40	5.59	-46.63
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292824	1	52	-1.0	-52.24	430.35	5.57	-46.67
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020292825	0	50	-1.0	-44.08	400.57	7.38	-36.70
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020292825	1	50	-1.0	-44.06	400.63	7.40	-36.66
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020292826	0	47	-1.0	-41.96	380.87	6.99	-34.97
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020292826	1	47	-1.0	-41.94	380.81	6.96	-34.98
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292827	0	53	-1.0	-48.99	432.01	4.17	-44.82
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292827	1	53	-1.0	-48.99	431.94	4.15	-44.84
CCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292828	0	58	-1.0	-45.50	453.09	5.80	-39.70
CCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292828	1	58	-1.0	-45.50	453.15	5.82	-39.68
CCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292829	0	55	-1.0	-50.44	432.00	5.01	-45.43
CCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292829	1	55	-1.0	-50.49	432.06	5.03	-45.46
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292830	0	53	-1.0	-46.75	427.40	4.66	-42.09
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292830	1	53	-1.0	-46.73	427.46	4.67	-42.06
CC1C(=O)N(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292831	0	50	-1.0	-51.70	395.95	3.38	-48.32
CC1C(=O)N(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292831	1	50	-1.0	-51.68	396.00	3.41	-48.27
CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292832	0	52	-1.0	-44.39	394.15	6.15	-38.24
CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292832	1	52	-1.0	-44.33	394.21	6.17	-38.16
CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292833	0	49	-1.0	-48.45	379.71	5.66	-42.79
CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292833	1	49	-1.0	-48.48	379.77	5.69	-42.79
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292834	0	52	-1.0	-43.78	413.65	6.61	-37.17
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292834	1	52	-1.0	-43.74	413.70	6.63	-37.11
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292835	0	49	-1.0	-42.26	388.10	5.91	-36.35
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292835	1	49	-1.0	-42.28	388.16	5.93	-36.35
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020292836	0	56	-1.0	-45.12	453.09	4.46	-40.66
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020292836	1	56	-1.0	-45.13	453.14	4.47	-40.66
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020292837	0	53	-1.0	-44.82	428.32	3.78	-41.04
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020292837	1	53	-1.0	-44.84	428.37	3.80	-41.04
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020292838	0	50	-1.0	-52.33	405.85	6.79	-45.54
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020292838	1	50	-1.0	-52.31	405.91	6.80	-45.51
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292839	0	51	-1.0	-54.29	407.83	3.17	-51.12
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292839	1	51	-1.0	-54.32	407.89	3.18	-51.14
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020292840	0	53	-1.0	-50.30	411.18	8.06	-42.24
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020292840	1	53	-1.0	-50.27	411.11	8.03	-42.24
CC1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292841	0	50	-1.0	-44.25	411.84	5.75	-38.50
CC1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292841	1	50	-1.0	-44.24	411.90	5.77	-38.47
CC1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292842	0	47	-1.0	-40.87	381.48	5.15	-35.72
CC1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292842	1	47	-1.0	-40.83	381.54	5.17	-35.66
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020292843	0	56	-1.0	-44.73	434.39	7.67	-37.06
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020292843	1	56	-1.0	-44.73	434.45	7.69	-37.04
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020292844	0	53	-1.0	-42.76	410.73	6.95	-35.81
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020292844	1	53	-1.0	-42.72	410.79	6.97	-35.75
C#CCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292845	0	47	-1.0	-44.02	391.42	6.51	-37.51
C#CCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292845	1	47	-1.0	-44.03	391.47	6.52	-37.51
C#CCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292846	0	44	-1.0	-47.67	369.94	5.76	-41.91
C#CCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292846	1	44	-1.0	-47.73	369.89	5.73	-42.00
C#CCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020292847	0	51	-1.0	-44.50	419.48	8.51	-35.99
C#CCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020292847	1	51	-1.0	-44.48	419.51	8.50	-35.98
CCOCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292848	0	55	-1.0	-44.01	429.64	5.45	-38.56
CCOCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292848	1	55	-1.0	-44.03	429.69	5.47	-38.56
CCOCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292849	0	52	-1.0	-48.74	407.89	4.61	-44.13
CCOCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292849	1	52	-1.0	-48.74	407.95	4.64	-44.10
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CCCC1	REAL300020292850	0	55	-1.0	-44.05	429.20	6.78	-37.27
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CCCC1	REAL300020292850	1	55	-1.0	-44.01	429.26	6.79	-37.22
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CCCC1	REAL300020292851	0	52	-1.0	-51.56	401.55	5.83	-45.73
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CCCC1	REAL300020292851	1	52	-1.0	-51.60	401.61	5.85	-45.75
CC(C)NC(=O)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292852	0	55	-1.0	-45.10	436.82	4.48	-40.62
CC(C)NC(=O)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292852	1	55	-1.0	-45.10	436.88	4.49	-40.61
CC(C)NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292853	0	52	-1.0	-52.92	428.58	3.74	-49.18
CC(C)NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292853	1	52	-1.0	-52.95	428.64	3.76	-49.19
CC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292854	0	53	-1.0	-57.07	409.04	5.28	-51.79
CC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292854	1	53	-1.0	-57.10	409.09	5.31	-51.79
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020292855	0	53	-1.0	-50.15	416.49	8.22	-41.93
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020292855	1	53	-1.0	-50.17	416.43	8.20	-41.97
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020292856	0	47	-1.0	-50.82	390.90	6.01	-44.81
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020292856	1	47	-1.0	-50.81	390.84	5.99	-44.82
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020292857	0	53	-1.0	-44.96	427.04	7.59	-37.37
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020292857	1	53	-1.0	-45.01	427.09	7.60	-37.41
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020292858	0	50	-1.0	-42.17	394.10	7.15	-35.02
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020292858	1	50	-1.0	-42.18	394.16	7.17	-35.01
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020292859	0	54	-1.0	-43.24	417.54	5.50	-37.74
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020292859	1	54	-1.0	-43.21	417.60	5.52	-37.69
CCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292860	0	55	-1.0	-45.20	420.86	7.23	-37.97
CCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292860	1	55	-1.0	-45.20	420.91	7.24	-37.96
CCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292861	0	52	-1.0	-48.11	402.33	6.61	-41.50
CCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292861	1	52	-1.0	-48.11	402.39	6.63	-41.48
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020292862	0	53	-1.0	-54.21	427.03	3.00	-51.21
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020292862	1	53	-1.0	-54.22	427.09	3.03	-51.19
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C)O1	REAL300020292863	0	54	-1.0	-48.36	433.22	4.35	-44.01
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C)O1	REAL300020292863	1	54	-1.0	-48.31	433.28	4.38	-43.93
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020292864	0	53	-1.0	-48.18	439.76	5.24	-42.94
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020292864	1	53	-1.0	-48.17	439.82	5.25	-42.92
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020292865	0	50	-1.0	-51.75	418.19	4.47	-47.28
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020292865	1	50	-1.0	-51.76	418.25	4.50	-47.26
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020292866	0	53	-1.0	-56.29	418.86	2.72	-53.57
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020292866	1	53	-1.0	-56.31	418.92	2.74	-53.57
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020292867	0	50	-1.0	-61.61	397.47	1.89	-59.72
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020292867	1	50	-1.0	-61.60	397.53	1.92	-59.68
COC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292868	0	52	-1.0	-49.16	418.89	6.06	-43.10
COC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292868	1	52	-1.0	-49.19	418.95	6.09	-43.10
COCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292869	0	56	-1.0	-48.65	433.75	5.81	-42.84
COCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292869	1	56	-1.0	-48.64	433.81	5.84	-42.80
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C2CC2)O1	REAL300020292870	0	54	-1.0	-48.85	425.67	6.57	-42.28
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C2CC2)O1	REAL300020292870	1	54	-1.0	-48.92	425.73	6.60	-42.32
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@H](C)O1	REAL300020292871	0	53	-1.0	-44.55	426.40	5.47	-39.08
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@H](C)O1	REAL300020292871	1	53	-1.0	-44.55	426.45	5.49	-39.06
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@H](C)O1	REAL300020292872	0	50	-1.0	-48.15	404.20	4.90	-43.25
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@H](C)O1	REAL300020292872	1	50	-1.0	-48.23	404.26	4.92	-43.31
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C)(C)O1	REAL300020292873	0	56	-1.0	-44.16	436.39	6.40	-37.76
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C)(C)O1	REAL300020292873	1	56	-1.0	-44.17	436.45	6.42	-37.75
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C)(C)O1	REAL300020292874	0	53	-1.0	-48.84	414.78	5.64	-43.20
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C)(C)O1	REAL300020292874	1	53	-1.0	-48.81	414.84	5.67	-43.14
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=C1	REAL300020292875	0	55	-1.0	-44.68	443.27	8.83	-35.85
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=C1	REAL300020292875	1	55	-1.0	-44.68	443.32	8.85	-35.83
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=C1	REAL300020292876	0	52	-1.0	-48.69	428.60	7.97	-40.72
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=C1	REAL300020292876	1	52	-1.0	-48.66	428.54	7.95	-40.71
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C)O1	REAL300020292877	0	56	-1.0	-43.97	442.96	6.71	-37.26
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C)O1	REAL300020292877	1	56	-1.0	-43.98	443.02	6.73	-37.25
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C)O1	REAL300020292878	0	53	-1.0	-47.99	420.38	5.92	-42.07
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C)O1	REAL300020292878	1	53	-1.0	-48.00	420.43	5.94	-42.06
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020292879	0	48	-1.0	-45.11	410.06	6.24	-38.87
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020292879	1	48	-1.0	-45.16	410.12	6.25	-38.91
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020292880	0	45	-1.0	-48.74	388.25	5.45	-43.29
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020292880	1	45	-1.0	-48.74	388.30	5.48	-43.26
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020292881	0	48	-1.0	-45.82	400.59	5.02	-40.80
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020292881	1	48	-1.0	-45.86	400.65	5.03	-40.83
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020292882	0	45	-1.0	-51.61	391.98	4.31	-47.30
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020292882	1	45	-1.0	-51.57	392.03	4.34	-47.23
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020292883	0	58	-1.0	-43.14	442.08	7.46	-35.68
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020292883	1	58	-1.0	-43.16	442.14	7.47	-35.69
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020292884	0	55	-1.0	-48.44	418.83	7.03	-41.41
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020292884	1	55	-1.0	-48.42	418.88	7.06	-41.36
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020292885	0	58	-1.0	-43.70	442.55	8.33	-35.37
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020292885	1	58	-1.0	-43.67	442.60	8.34	-35.33
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020292886	0	55	-1.0	-49.69	421.35	7.40	-42.29
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020292886	1	55	-1.0	-49.69	421.40	7.43	-42.26
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020292887	0	53	-1.0	-43.69	416.81	7.64	-36.05
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020292887	1	53	-1.0	-43.72	416.89	7.65	-36.07
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020292888	0	50	-1.0	-48.54	403.42	6.92	-41.62
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020292888	1	50	-1.0	-48.52	403.48	6.95	-41.57
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292889	0	58	-1.0	-41.06	430.13	7.54	-33.52
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292889	1	58	-1.0	-41.05	430.19	7.56	-33.49
CC(C)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292890	0	58	-1.0	-48.15	434.06	7.55	-40.60
CC(C)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292890	1	58	-1.0	-48.14	434.12	7.58	-40.56
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292891	0	58	-1.0	-44.00	446.91	8.37	-35.63
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292891	1	58	-1.0	-44.01	446.97	8.39	-35.62
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292892	0	55	-1.0	-41.96	423.93	7.57	-34.39
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292892	1	55	-1.0	-41.96	423.98	7.60	-34.36
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292893	0	53	-1.0	-43.15	417.81	5.27	-37.88
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292893	1	53	-1.0	-43.18	417.86	5.28	-37.90
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292894	0	50	-1.0	-42.33	399.75	4.66	-37.67
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292894	1	50	-1.0	-42.28	399.81	4.69	-37.59
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292895	0	58	-1.0	-45.29	434.38	8.17	-37.12
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292895	1	58	-1.0	-45.28	434.44	8.19	-37.09
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292896	0	55	-1.0	-41.88	408.48	7.51	-34.37
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292896	1	55	-1.0	-41.89	408.54	7.53	-34.36
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292897	0	53	-1.0	-43.65	426.64	7.55	-36.10
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292897	1	53	-1.0	-43.68	426.70	7.57	-36.11
C=CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292898	0	50	-1.0	-48.12	405.13	6.77	-41.35
C=CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292898	1	50	-1.0	-48.07	405.19	6.79	-41.28
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292899	0	48	-1.0	-44.53	383.81	5.96	-38.57
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292899	1	48	-1.0	-44.49	383.87	5.97	-38.52
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292900	0	45	-1.0	-48.03	369.77	5.11	-42.92
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292900	1	45	-1.0	-48.04	369.71	5.09	-42.95
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020292901	0	52	-1.0	-44.45	420.22	7.87	-36.58
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020292901	1	52	-1.0	-44.38	420.27	7.86	-36.52
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020292902	0	55	-1.0	-43.79	430.87	5.37	-38.42
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020292902	1	55	-1.0	-43.79	430.93	5.38	-38.41
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020292902	1	56	0.0	-67.11	438.07	7.78	-59.33
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020292903	0	52	-1.0	-48.70	410.43	4.58	-44.12
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020292903	1	52	-1.0	-48.73	410.49	4.60	-44.13
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020292903	1	53	0.0	-58.36	407.51	7.14	-51.22
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020292904	0	53	-1.0	-46.93	420.66	5.51	-41.42
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020292904	1	53	-1.0	-46.90	420.72	5.53	-41.37
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020292905	0	50	-1.0	-43.06	401.00	4.70	-38.36
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020292905	1	50	-1.0	-43.09	401.05	4.73	-38.36
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020292906	0	49	-1.0	-45.03	404.45	6.53	-38.50
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020292906	1	49	-1.0	-45.04	404.51	6.54	-38.50
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020292907	0	46	-1.0	-48.01	382.52	5.76	-42.25
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020292907	1	46	-1.0	-48.07	382.58	5.78	-42.29
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020292908	0	55	-1.0	-44.46	451.03	8.68	-35.78
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020292908	1	55	-1.0	-44.40	451.09	8.69	-35.71
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020292909	0	52	-1.0	-48.59	428.59	7.96	-40.63
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020292909	1	52	-1.0	-48.61	428.53	7.94	-40.67
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020292910	0	50	-1.0	-48.88	428.46	7.66	-41.22
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020292910	1	50	-1.0	-48.91	428.34	7.64	-41.27
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020292911	0	50	-1.0	-49.12	428.49	7.68	-41.44
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020292911	1	50	-1.0	-49.10	428.56	7.70	-41.40
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020292912	0	58	-1.0	-48.63	445.85	7.76	-40.87
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020292912	1	58	-1.0	-48.64	445.91	7.79	-40.85
CC(C)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292913	0	58	-1.0	-49.58	450.19	8.10	-41.48
CC(C)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292913	1	58	-1.0	-49.56	450.24	8.12	-41.44
CCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292914	0	51	-1.0	-44.73	400.82	5.74	-38.99
CCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292914	1	51	-1.0	-44.74	400.88	5.75	-38.99
CCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292915	0	48	-1.0	-49.82	378.96	4.98	-44.84
CCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292915	1	48	-1.0	-49.79	378.91	4.95	-44.84
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020292916	0	55	-1.0	-45.30	428.05	7.79	-37.51
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020292916	1	55	-1.0	-45.29	428.08	7.79	-37.50
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@@H]1OC	REAL300020292917	0	54	-1.0	-47.09	430.97	4.55	-42.54
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@@H]1OC	REAL300020292917	1	54	-1.0	-47.11	431.03	4.57	-42.54
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@@H]1OC	REAL300020292918	0	51	-1.0	-52.22	412.11	3.92	-48.30
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@@H]1OC	REAL300020292918	1	51	-1.0	-52.22	412.17	3.94	-48.28
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020292919	0	58	-1.0	-46.54	451.84	6.40	-40.14
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020292919	1	58	-1.0	-46.57	451.89	6.42	-40.15
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020292920	0	55	-1.0	-48.73	437.77	5.52	-43.21
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020292920	1	55	-1.0	-48.75	437.83	5.54	-43.21
CNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292921	0	53	-1.0	-60.32	429.35	3.76	-56.56
CNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292921	1	53	-1.0	-60.31	429.41	3.78	-56.53
CNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292922	0	52	-1.0	-56.31	421.33	3.37	-52.94
CNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292922	1	52	-1.0	-56.36	421.39	3.40	-52.96
CNC(=O)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292923	0	55	-1.0	-49.91	444.07	4.31	-45.60
CNC(=O)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292923	1	55	-1.0	-49.91	444.13	4.32	-45.59
CNC(=O)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292924	0	52	-1.0	-46.10	424.85	3.48	-42.62
CNC(=O)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292924	1	52	-1.0	-46.14	424.90	3.49	-42.65
CNC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292925	0	53	-1.0	-53.43	422.81	3.60	-49.83
CNC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292925	1	53	-1.0	-53.45	422.87	3.63	-49.82
CNC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020292926	0	51	-1.0	-53.17	421.31	2.79	-50.38
CNC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020292926	1	51	-1.0	-53.20	421.37	2.82	-50.38
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292927	0	55	-1.0	-53.29	435.37	4.57	-48.72
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292927	1	55	-1.0	-53.27	435.43	4.58	-48.69
CNC(=O)C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292928	0	52	-1.0	-54.80	426.24	3.53	-51.27
CNC(=O)C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292928	1	52	-1.0	-54.80	426.30	3.56	-51.24
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020292929	0	50	-1.0	-52.37	407.84	2.51	-49.86
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020292929	1	50	-1.0	-52.37	407.90	2.53	-49.84
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292930	0	55	-1.0	-52.56	448.86	4.14	-48.42
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292930	1	55	-1.0	-52.55	448.92	4.17	-48.38
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020292931	0	46	-1.0	-45.20	380.14	5.94	-39.26
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020292931	1	46	-1.0	-45.23	380.20	5.95	-39.28
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020292932	0	43	-1.0	-42.56	353.63	5.26	-37.30
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020292932	1	43	-1.0	-42.60	353.69	5.28	-37.32
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292933	0	58	0.0	-68.05	443.34	6.01	-62.04
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292933	1	58	0.0	-68.08	443.40	6.02	-62.06
CCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292934	0	53	-1.0	-55.82	428.11	5.24	-50.58
CCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292934	1	53	-1.0	-55.85	428.17	5.26	-50.59
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020292935	0	55	-1.0	-48.77	436.17	2.79	-45.98
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020292935	1	55	-1.0	-48.77	436.22	2.82	-45.95
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020292936	0	55	-1.0	-44.04	427.74	7.29	-36.75
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020292936	1	55	-1.0	-44.05	427.80	7.31	-36.74
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020292937	0	52	-1.0	-48.59	405.86	6.51	-42.08
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020292937	1	52	-1.0	-48.63	405.92	6.53	-42.10
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1=CC=CC=C1	REAL300020292938	0	55	-1.0	-47.69	444.77	8.97	-38.72
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1=CC=CC=C1	REAL300020292938	1	55	-1.0	-47.76	444.84	8.99	-38.77
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020292939	0	49	-1.0	-50.98	408.30	2.68	-48.30
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020292939	1	49	-1.0	-50.94	408.35	2.69	-48.25
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020292940	0	46	-1.0	-54.78	390.90	1.65	-53.13
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020292940	1	46	-1.0	-54.76	390.96	1.67	-53.09
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)S1	REAL300020292941	0	49	-1.0	-49.09	420.23	7.22	-41.87
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)S1	REAL300020292941	1	49	-1.0	-49.10	420.30	7.24	-41.86
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)SC=N1	REAL300020292942	0	48	-1.0	-49.78	399.27	4.86	-44.92
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)SC=N1	REAL300020292942	1	48	-1.0	-49.80	399.32	4.89	-44.91
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCS1	REAL300020292943	0	50	-1.0	-42.67	394.37	6.14	-36.53
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCS1	REAL300020292943	1	50	-1.0	-42.70	394.43	6.16	-36.54
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCS1	REAL300020292944	0	47	-1.0	-48.11	378.12	5.51	-42.60
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCS1	REAL300020292944	1	47	-1.0	-48.11	378.18	5.54	-42.57
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)O1	REAL300020292945	0	52	-1.0	-44.77	433.30	7.08	-37.69
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)O1	REAL300020292945	1	52	-1.0	-44.78	433.36	7.09	-37.69
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)O1	REAL300020292946	0	49	-1.0	-48.76	411.79	6.29	-42.47
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)O1	REAL300020292946	1	49	-1.0	-48.74	411.85	6.32	-42.42
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020292947	0	53	-1.0	-51.22	425.19	2.90	-48.32
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020292947	1	53	-1.0	-51.22	425.24	2.92	-48.30
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020292948	0	50	-1.0	-55.54	407.79	2.25	-53.29
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020292948	1	50	-1.0	-55.52	407.84	2.27	-53.25
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020292949	0	49	-1.0	-44.52	411.00	6.25	-38.27
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020292949	1	49	-1.0	-44.56	411.06	6.26	-38.30
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020292950	0	46	-1.0	-40.11	375.61	5.75	-34.36
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020292950	1	46	-1.0	-40.10	375.54	5.75	-34.35
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292951	0	58	0.0	-62.79	443.79	7.64	-55.15
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292951	1	58	0.0	-62.81	443.81	7.65	-55.16
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020292952	0	56	-1.0	-48.89	418.66	7.46	-41.43
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020292952	1	56	-1.0	-48.84	418.72	7.49	-41.35
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292953	0	55	-1.0	-42.70	427.96	7.74	-34.96
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292953	1	55	-1.0	-42.70	428.01	7.76	-34.94
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292954	0	52	-1.0	-49.40	407.88	7.00	-42.40
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292954	1	52	-1.0	-49.40	407.94	7.03	-42.37
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020292955	0	52	-1.0	-48.68	432.17	6.11	-42.57
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020292955	1	52	-1.0	-48.67	432.12	6.09	-42.58
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020292956	0	49	-1.0	-47.52	406.19	5.37	-42.15
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020292956	1	49	-1.0	-47.54	406.13	5.36	-42.18
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292957	0	56	-1.0	-43.40	444.22	5.98	-37.42
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292957	1	56	-1.0	-43.37	444.27	5.99	-37.38
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292958	0	53	-1.0	-48.68	425.79	5.31	-43.37
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292958	1	53	-1.0	-48.71	425.84	5.34	-43.37
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020292959	0	56	0.0	-61.21	432.73	7.47	-53.74
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020292959	1	56	0.0	-61.21	432.79	7.48	-53.73
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020292959	1	55	-1.0	-48.50	434.30	5.24	-43.26
CCOCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292960	0	56	-1.0	-48.56	447.26	6.28	-42.28
CCOCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292960	1	56	-1.0	-48.59	447.32	6.30	-42.29
CCN1C=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=N1	REAL300020292961	0	52	-1.0	-50.65	425.54	6.01	-44.64
CCN1C=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=N1	REAL300020292961	1	52	-1.0	-50.67	425.48	5.98	-44.69
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020292962	0	55	-1.0	-42.87	426.26	7.86	-35.01
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020292962	1	55	-1.0	-42.85	426.32	7.88	-34.97
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020292963	0	52	-1.0	-42.39	404.47	7.26	-35.13
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020292963	1	52	-1.0	-42.41	404.53	7.28	-35.13
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020292964	0	51	-1.0	-58.14	408.86	5.08	-53.06
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020292964	1	51	-1.0	-58.17	408.92	5.12	-53.05
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292965	0	52	-1.0	-44.39	406.14	5.88	-38.51
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292965	1	52	-1.0	-44.39	406.19	5.88	-38.51
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1=O	REAL300020292966	0	53	-1.0	-49.44	418.45	5.26	-44.18
CC(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1=O	REAL300020292966	1	53	-1.0	-49.42	418.51	5.28	-44.14
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020292967	0	56	-1.0	-46.94	436.37	6.14	-40.80
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020292967	1	56	-1.0	-46.96	436.43	6.15	-40.81
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020292968	0	53	-1.0	-51.85	433.68	7.39	-44.46
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020292968	1	53	-1.0	-51.91	433.73	7.40	-44.51
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020292969	0	50	-1.0	-56.92	412.13	6.61	-50.31
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020292969	1	50	-1.0	-56.98	412.19	6.63	-50.35
CCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292970	0	58	-1.0	-43.95	444.97	8.27	-35.68
CCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292970	1	58	-1.0	-44.00	445.02	8.28	-35.72
CCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292971	0	55	-1.0	-48.15	417.89	7.66	-40.49
CCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292971	1	55	-1.0	-48.18	417.95	7.68	-40.50
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020292972	0	55	-1.0	-42.17	446.68	8.96	-33.21
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020292972	1	55	-1.0	-42.23	446.73	8.98	-33.25
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292973	0	52	-1.0	-49.57	426.19	6.26	-43.31
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292973	1	52	-1.0	-49.61	426.25	6.28	-43.33
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020292974	0	56	-1.0	-50.35	426.50	8.36	-41.99
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020292974	1	56	-1.0	-50.37	426.55	8.39	-41.98
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020292975	0	50	-1.0	-49.34	409.24	4.39	-44.95
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020292975	1	50	-1.0	-49.34	409.30	4.41	-44.93
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020292976	0	47	-1.0	-43.88	383.67	3.82	-40.06
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020292976	1	47	-1.0	-43.89	383.72	3.84	-40.05
CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292977	0	56	-1.0	-43.73	443.76	6.23	-37.50
CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292977	1	56	-1.0	-43.77	443.81	6.24	-37.53
CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292978	0	53	-1.0	-48.84	426.78	5.56	-43.28
CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292978	1	53	-1.0	-48.84	426.84	5.59	-43.25
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020292979	0	56	0.0	-71.14	440.83	7.66	-63.48
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020292979	1	56	0.0	-71.12	440.88	7.68	-63.44
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292980	0	51	-1.0	-46.11	418.85	5.85	-40.26
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292980	1	51	-1.0	-46.14	418.90	5.87	-40.27
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020292981	0	48	-1.0	-50.86	414.41	5.22	-45.64
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020292981	1	48	-1.0	-50.87	414.47	5.25	-45.62
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020292982	0	54	-1.0	-49.61	421.09	5.40	-44.21
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020292982	1	54	-1.0	-49.58	421.14	5.42	-44.16
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCS1	REAL300020292983	0	53	-1.0	-47.40	427.04	7.09	-40.31
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCS1	REAL300020292983	1	53	-1.0	-47.38	427.10	7.12	-40.26
COC(=O)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292984	0	49	-1.0	-43.81	397.38	5.52	-38.29
COC(=O)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292984	1	49	-1.0	-43.78	397.43	5.54	-38.24
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020292985	0	50	-1.0	-43.69	397.03	4.62	-39.07
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020292985	1	50	-1.0	-43.67	397.09	4.64	-39.03
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020292986	0	47	-1.0	-49.84	381.42	4.06	-45.78
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020292986	1	47	-1.0	-49.86	381.47	4.08	-45.78
CC1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)S1	REAL300020292987	0	48	-1.0	-49.93	414.25	5.26	-44.67
CC1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)S1	REAL300020292987	1	48	-1.0	-49.97	414.31	5.29	-44.68
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020292988	0	49	-1.0	-43.30	400.46	6.68	-36.62
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020292988	1	49	-1.0	-43.26	400.52	6.69	-36.57
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020292989	0	46	-1.0	-48.05	379.82	5.87	-42.18
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020292989	1	46	-1.0	-48.01	379.76	5.84	-42.17
CN(C)C(=O)CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020292990	0	53	-1.0	-44.41	424.77	8.78	-35.63
CN(C)C(=O)CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020292990	1	53	-1.0	-44.33	424.80	8.76	-35.57
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020292991	0	49	-1.0	-54.76	407.87	7.44	-47.32
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020292991	1	49	-1.0	-54.74	407.81	7.42	-47.32
CC(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292992	0	54	-1.0	-44.49	423.52	7.26	-37.23
CC(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292992	1	54	-1.0	-44.48	423.58	7.27	-37.21
CC(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020292993	0	51	-1.0	-47.85	408.78	6.37	-41.48
CC(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020292993	1	51	-1.0	-47.89	408.84	6.39	-41.50
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292994	0	52	-1.0	-47.59	412.65	6.04	-41.55
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292994	1	52	-1.0	-47.60	412.71	6.05	-41.55
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020292995	0	49	-1.0	-49.19	400.33	5.58	-43.61
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020292995	1	49	-1.0	-49.17	400.39	5.61	-43.56
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020292996	0	51	-1.0	-52.63	419.95	4.30	-48.33
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020292996	1	51	-1.0	-52.68	420.02	4.33	-48.35
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020292997	0	54	-1.0	-42.99	415.12	7.33	-35.66
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020292997	1	54	-1.0	-43.01	415.18	7.35	-35.66
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020292998	0	51	-1.0	-47.58	402.03	6.58	-41.00
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020292998	1	51	-1.0	-47.57	402.08	6.60	-40.97
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020292999	0	49	-1.0	-43.30	400.46	6.68	-36.62
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020292999	1	49	-1.0	-43.26	400.52	6.69	-36.57
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020293000	0	46	-1.0	-48.05	379.82	5.87	-42.18
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020293000	1	46	-1.0	-48.01	379.76	5.84	-42.17
CN(C)C(=O)CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020293001	0	53	-1.0	-44.41	424.77	8.78	-35.63
CN(C)C(=O)CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020293001	1	53	-1.0	-44.33	424.80	8.76	-35.57
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020293002	0	52	-1.0	-43.51	422.51	7.42	-36.09
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020293002	1	52	-1.0	-43.56	422.56	7.43	-36.13
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020293003	0	49	-1.0	-47.99	401.46	6.63	-41.36
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020293003	1	49	-1.0	-47.98	401.52	6.66	-41.32
COCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293004	0	52	-1.0	-45.02	418.13	5.05	-39.97
COCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293004	1	52	-1.0	-45.02	418.19	5.06	-39.96
COCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293005	0	49	-1.0	-48.96	403.79	4.14	-44.82
COCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293005	1	49	-1.0	-48.89	403.85	4.17	-44.72
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C)S1	REAL300020293006	0	53	-1.0	-43.53	435.72	7.49	-36.04
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C)S1	REAL300020293006	1	53	-1.0	-43.57	435.78	7.50	-36.07
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C)S1	REAL300020293007	0	50	-1.0	-47.27	413.16	6.70	-40.57
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C)S1	REAL300020293007	1	50	-1.0	-47.29	413.21	6.73	-40.56
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020293008	0	50	-1.0	-46.33	419.04	4.66	-41.67
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020293008	1	50	-1.0	-46.40	419.10	4.67	-41.73
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020293009	0	47	-1.0	-50.51	398.24	3.90	-46.61
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020293009	1	47	-1.0	-50.50	398.18	3.88	-46.62
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020293010	0	56	0.0	-59.56	410.98	6.79	-52.77
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020293010	1	56	0.0	-61.06	428.13	7.19	-53.87
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020293010	1	56	0.0	-59.55	411.04	6.81	-52.74
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020293010	1	56	0.0	-61.08	428.19	7.20	-53.88
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020293010	1	55	-1.0	-40.41	408.87	4.58	-35.83
CC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293011	0	51	-1.0	-42.79	402.78	6.73	-36.06
CC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293011	1	51	-1.0	-42.79	402.83	6.75	-36.04
CC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293012	0	48	-1.0	-47.58	389.11	5.99	-41.59
CC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293012	1	48	-1.0	-47.56	389.16	6.02	-41.54
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020293013	0	55	-1.0	-43.95	434.31	8.98	-34.97
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020293013	1	55	-1.0	-44.03	434.35	8.98	-35.05
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293014	0	48	-1.0	-44.53	383.81	5.96	-38.57
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293014	1	48	-1.0	-44.49	383.87	5.97	-38.52
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293015	0	45	-1.0	-48.03	369.77	5.11	-42.92
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293015	1	45	-1.0	-48.04	369.71	5.09	-42.95
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020293016	0	52	-1.0	-44.45	420.22	7.87	-36.58
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020293016	1	52	-1.0	-44.38	420.27	7.86	-36.52
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020293017	0	55	-1.0	-42.63	430.78	7.67	-34.96
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020293017	1	55	-1.0	-42.63	430.84	7.69	-34.94
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020293018	0	52	-1.0	-41.74	408.77	7.06	-34.68
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020293018	1	52	-1.0	-41.72	408.83	7.09	-34.63
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293019	0	53	-1.0	-45.97	433.76	5.01	-40.96
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293019	1	53	-1.0	-45.96	433.81	5.02	-40.94
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293020	0	50	-1.0	-49.20	411.84	4.23	-44.97
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293020	1	50	-1.0	-49.21	411.90	4.25	-44.96
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293021	0	53	-1.0	-43.41	422.22	5.42	-37.99
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293021	1	53	-1.0	-43.40	422.28	5.44	-37.96
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293022	0	50	-1.0	-48.59	404.42	4.78	-43.81
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293022	1	50	-1.0	-48.62	404.48	4.81	-43.81
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020293023	0	58	-1.0	-43.24	452.46	8.66	-34.58
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020293023	1	58	-1.0	-43.23	452.52	8.67	-34.56
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020293024	0	55	-1.0	-41.53	427.70	7.97	-33.56
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020293024	1	55	-1.0	-41.53	427.76	7.99	-33.54
C#CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293025	0	44	-1.0	-42.91	364.74	5.57	-37.34
C#CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293025	1	44	-1.0	-42.88	364.79	5.58	-37.30
C#CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293026	0	41	-1.0	-48.13	355.95	4.84	-43.29
C#CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293026	1	41	-1.0	-48.16	355.89	4.82	-43.34
C#CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020293027	0	48	-1.0	-44.38	406.14	7.65	-36.73
C#CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020293027	1	48	-1.0	-44.39	406.18	7.64	-36.75
C=CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293028	0	46	-1.0	-42.91	370.04	5.61	-37.30
C=CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293028	1	46	-1.0	-42.97	370.10	5.62	-37.35
C=CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293029	0	43	-1.0	-48.15	361.51	4.91	-43.24
C=CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293029	1	43	-1.0	-48.18	361.45	4.88	-43.30
C=CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020293030	0	50	-1.0	-44.27	410.97	7.67	-36.60
C=CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020293030	1	50	-1.0	-44.24	411.00	7.66	-36.58
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020293031	0	53	-1.0	-42.90	409.68	7.19	-35.71
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020293031	1	53	-1.0	-42.89	409.74	7.20	-35.69
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020293032	0	50	-1.0	-41.55	386.51	6.64	-34.91
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020293032	1	50	-1.0	-41.54	386.57	6.66	-34.88
CC(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293033	0	58	-1.0	-42.81	446.21	8.00	-34.81
CC(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293033	1	58	-1.0	-42.78	446.27	8.02	-34.76
CC(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293034	0	55	-1.0	-49.34	424.47	7.46	-41.88
CC(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293034	1	55	-1.0	-49.29	424.52	7.49	-41.80
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293035	0	54	-1.0	-49.61	435.44	4.24	-45.37
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293035	1	54	-1.0	-49.64	435.49	4.27	-45.37
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020293036	0	49	-1.0	-47.53	395.19	6.43	-41.10
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020293036	1	49	-1.0	-47.52	395.25	6.45	-41.07
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020293037	0	46	-1.0	-52.55	373.05	5.64	-46.91
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020293037	1	46	-1.0	-52.58	373.10	5.66	-46.92
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC12CCC2	REAL300020293038	0	56	-1.0	-49.00	429.59	7.84	-41.16
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC12CCC2	REAL300020293038	1	56	-1.0	-49.02	429.65	7.86	-41.16
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293039	0	56	-1.0	-44.90	439.23	5.85	-39.05
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293039	1	56	-1.0	-44.95	439.28	5.87	-39.08
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293040	0	53	-1.0	-49.44	417.96	5.08	-44.36
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293040	1	53	-1.0	-49.45	418.02	5.10	-44.35
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020293041	0	56	-1.0	-48.40	436.85	5.74	-42.66
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020293041	1	56	-1.0	-48.40	436.90	5.77	-42.63
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020293042	0	58	-1.0	-48.45	440.36	7.74	-40.71
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020293042	1	58	-1.0	-48.49	440.42	7.76	-40.73
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020293043	0	53	-1.0	-44.59	422.76	8.40	-36.19
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020293043	1	53	-1.0	-44.58	422.81	8.43	-36.15
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020293044	0	50	-1.0	-51.51	394.84	2.07	-49.44
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020293044	1	50	-1.0	-51.53	394.90	2.09	-49.44
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020293045	0	47	-1.0	-61.68	379.75	1.41	-60.27
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020293045	1	47	-1.0	-61.69	379.81	1.43	-60.26
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1	REAL300020293046	0	46	-1.0	-45.74	365.26	5.58	-40.16
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1	REAL300020293046	1	46	-1.0	-45.77	365.31	5.59	-40.18
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1	REAL300020293047	0	43	-1.0	-42.34	338.98	4.93	-37.41
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1	REAL300020293047	1	43	-1.0	-42.35	338.93	4.90	-37.45
CN(C)C(=O)CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1	REAL300020293048	0	50	-1.0	-45.61	392.93	7.54	-38.07
CN(C)C(=O)CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1	REAL300020293048	1	50	-1.0	-45.56	392.95	7.52	-38.04
CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293049	0	52	-1.0	-43.26	411.16	6.88	-36.38
CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293049	1	52	-1.0	-43.24	411.22	6.89	-36.35
CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293050	0	49	-1.0	-48.80	393.39	6.22	-42.58
CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293050	1	49	-1.0	-48.76	393.45	6.25	-42.51
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC1	REAL300020293051	0	47	-1.0	-44.84	383.93	3.99	-40.85
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC1	REAL300020293051	1	47	-1.0	-44.83	383.99	4.00	-40.83
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC1	REAL300020293052	0	44	-1.0	-49.26	362.86	3.19	-46.07
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC1	REAL300020293052	1	44	-1.0	-49.21	362.91	3.22	-45.99
CN(C)C(=O)CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1	REAL300020293053	0	51	-1.0	-45.40	412.29	5.98	-39.42
CN(C)C(=O)CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1	REAL300020293053	1	51	-1.0	-45.35	412.33	5.97	-39.38
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293054	0	53	-1.0	-49.42	425.79	5.17	-44.25
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293054	1	53	-1.0	-49.46	425.85	5.18	-44.28
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293055	0	50	-1.0	-51.18	404.91	4.39	-46.79
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293055	1	50	-1.0	-51.15	404.97	4.42	-46.73
CC1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293056	0	55	-1.0	-42.91	426.86	7.73	-35.18
CC1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293056	1	55	-1.0	-42.93	426.92	7.74	-35.19
CC1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293057	0	52	-1.0	-41.47	409.15	6.88	-34.59
CC1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293057	1	52	-1.0	-41.53	409.21	6.90	-34.63
CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293058	0	51	-1.0	-44.42	405.31	6.74	-37.68
CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293058	1	51	-1.0	-44.42	405.36	6.75	-37.67
CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293059	0	48	-1.0	-48.06	391.86	5.87	-42.19
CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293059	1	48	-1.0	-48.07	391.91	5.90	-42.17
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020293060	0	55	-1.0	-44.24	441.48	8.63	-35.61
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020293060	1	55	-1.0	-44.22	441.53	8.62	-35.60
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020293061	0	53	-1.0	-50.74	425.23	3.17	-47.57
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020293061	1	53	-1.0	-50.71	425.29	3.19	-47.52
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020293062	0	50	-1.0	-56.68	404.13	2.40	-54.28
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020293062	1	50	-1.0	-56.76	404.19	2.43	-54.33
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293063	0	52	-1.0	-42.98	410.60	7.09	-35.89
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293063	1	52	-1.0	-42.97	410.66	7.10	-35.87
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293064	0	49	-1.0	-49.54	389.50	6.34	-43.20
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293064	1	49	-1.0	-49.56	389.56	6.36	-43.20
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293065	0	50	-1.0	-51.83	417.86	4.87	-46.96
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293065	1	50	-1.0	-51.82	417.91	4.90	-46.92
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020293066	0	49	-1.0	-48.53	419.83	7.20	-41.33
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020293066	1	49	-1.0	-48.52	419.89	7.23	-41.29
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293067	0	58	-1.0	-42.90	450.39	8.28	-34.62
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293067	1	58	-1.0	-42.91	450.45	8.30	-34.61
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293068	0	55	-1.0	-49.57	429.42	7.73	-41.84
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293068	1	55	-1.0	-49.60	429.47	7.76	-41.84
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293069	0	53	-1.0	-56.89	432.26	3.93	-52.96
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293069	1	53	-1.0	-56.89	432.32	3.95	-52.94
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020293070	0	49	-1.0	-43.80	420.38	7.17	-36.63
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020293070	1	49	-1.0	-43.82	420.44	7.19	-36.63
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020293071	0	46	-1.0	-50.57	391.88	6.52	-44.05
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020293071	1	46	-1.0	-50.54	391.82	6.50	-44.04
COC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293072	0	53	-1.0	-44.04	422.71	5.26	-38.78
COC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293072	1	53	-1.0	-43.98	422.77	5.28	-38.70
COC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293073	0	50	-1.0	-48.52	404.11	4.62	-43.90
COC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293073	1	50	-1.0	-48.53	404.17	4.64	-43.89
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293074	0	56	-1.0	-43.38	443.13	5.98	-37.40
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293074	1	56	-1.0	-43.39	443.19	6.00	-37.39
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293075	0	53	-1.0	-42.87	421.81	5.38	-37.49
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293075	1	53	-1.0	-42.87	421.88	5.39	-37.48
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020293076	0	48	-1.0	-50.11	399.12	3.36	-46.75
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020293076	1	48	-1.0	-50.07	399.17	3.38	-46.69
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020293077	0	45	-1.0	-53.23	380.53	2.89	-50.34
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020293077	1	45	-1.0	-53.23	380.59	2.91	-50.32
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293078	0	50	-1.0	-44.12	406.03	6.88	-37.24
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293078	1	50	-1.0	-44.13	406.09	6.89	-37.24
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293079	0	47	-1.0	-48.53	384.20	6.11	-42.42
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293079	1	47	-1.0	-48.53	384.14	6.09	-42.44
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020293080	0	56	-1.0	-43.22	432.45	6.19	-37.03
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020293080	1	56	-1.0	-43.25	432.51	6.21	-37.04
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020293081	0	53	-1.0	-41.66	418.16	5.48	-36.18
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020293081	1	53	-1.0	-41.61	418.23	5.50	-36.11
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020293082	0	48	-1.0	-46.74	400.77	4.29	-42.45
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020293082	1	48	-1.0	-46.74	400.83	4.30	-42.44
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020293083	0	45	-1.0	-52.16	383.31	3.87	-48.29
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020293083	1	45	-1.0	-52.21	383.36	3.90	-48.31
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020293084	0	52	-1.0	-48.23	431.90	5.84	-42.39
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020293084	1	52	-1.0	-48.25	431.85	5.83	-42.42
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020293085	0	49	-1.0	-50.83	404.00	5.14	-45.69
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020293085	1	49	-1.0	-50.81	403.94	5.12	-45.69
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293086	0	54	-1.0	-44.46	426.76	5.99	-38.47
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293086	1	54	-1.0	-44.43	426.82	6.01	-38.42
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293087	0	51	-1.0	-46.90	413.65	5.55	-41.35
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293087	1	51	-1.0	-46.91	413.71	5.58	-41.33
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020293088	0	52	-1.0	-45.64	405.40	6.51	-39.13
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020293088	1	52	-1.0	-45.66	405.45	6.52	-39.14
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020293089	0	49	-1.0	-48.18	388.16	5.97	-42.21
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020293089	1	49	-1.0	-48.23	388.22	5.99	-42.24
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293090	0	58	-1.0	-44.04	448.70	8.29	-35.75
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293090	1	58	-1.0	-44.07	448.76	8.31	-35.76
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293091	0	55	-1.0	-49.46	423.75	7.44	-42.02
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293091	1	55	-1.0	-49.51	423.81	7.47	-42.04
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293092	0	56	-1.0	-44.58	444.49	6.01	-38.57
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293092	1	56	-1.0	-44.59	444.55	6.03	-38.56
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293093	0	53	-1.0	-50.72	425.77	5.33	-45.39
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293093	1	53	-1.0	-50.72	425.82	5.35	-45.37
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020293094	0	56	-1.0	-43.15	434.47	8.14	-35.01
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020293094	1	56	-1.0	-43.15	434.53	8.16	-34.99
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020293095	0	53	-1.0	-48.13	416.04	7.48	-40.65
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020293095	1	53	-1.0	-48.13	416.10	7.50	-40.63
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020293096	0	54	-1.0	-50.11	412.38	5.65	-44.46
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020293096	1	54	-1.0	-50.14	412.43	5.67	-44.47
CO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293097	0	50	-1.0	-45.02	393.44	4.45	-40.57
CO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293097	1	50	-1.0	-45.04	393.50	4.47	-40.57
CO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293098	0	47	-1.0	-43.08	373.84	4.09	-38.99
CO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293098	1	47	-1.0	-43.09	373.89	4.11	-38.98
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020293099	0	55	-1.0	-41.95	402.75	6.55	-35.40
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293099	1	55	-1.0	-41.94	402.81	6.57	-35.37
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020293100	0	52	-1.0	-48.89	386.70	5.91	-42.98
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293100	1	52	-1.0	-48.91	386.76	5.93	-42.98
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293101	0	50	-1.0	-45.68	406.96	4.58	-41.10
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293101	1	50	-1.0	-45.71	407.01	4.59	-41.12
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293102	0	47	-1.0	-43.38	374.71	4.00	-39.38
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293102	1	47	-1.0	-43.41	374.77	4.02	-39.39
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293103	0	55	-1.0	-43.10	429.22	7.50	-35.60
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293103	1	55	-1.0	-43.12	429.27	7.52	-35.60
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293104	0	52	-1.0	-48.33	410.71	6.87	-41.46
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293104	1	52	-1.0	-48.29	410.77	6.89	-41.40
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C)(C)C1	REAL300020293105	0	58	-1.0	-42.44	446.54	8.23	-34.21
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C)(C)C1	REAL300020293105	1	58	-1.0	-42.47	446.60	8.25	-34.22
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C)(C)C1	REAL300020293106	0	55	-1.0	-41.51	424.84	7.62	-33.89
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C)(C)C1	REAL300020293106	1	55	-1.0	-41.54	424.90	7.64	-33.90
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293107	0	58	-1.0	-44.83	461.52	8.85	-35.98
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293107	1	58	-1.0	-44.83	461.58	8.86	-35.97
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293108	0	55	-1.0	-48.00	446.64	7.99	-40.01
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293108	1	55	-1.0	-48.05	446.70	8.01	-40.04
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCS1	REAL300020293109	0	53	-1.0	-42.86	429.34	7.72	-35.14
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCS1	REAL300020293109	1	53	-1.0	-42.88	429.40	7.73	-35.15
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCS1	REAL300020293110	0	50	-1.0	-46.67	411.83	6.91	-39.76
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCS1	REAL300020293110	1	50	-1.0	-46.71	411.88	6.93	-39.78
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020293111	0	52	-1.0	-43.04	404.25	6.84	-36.20
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293111	1	52	-1.0	-43.03	404.30	6.85	-36.18
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020293112	0	49	-1.0	-48.64	382.77	5.88	-42.76
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293112	1	49	-1.0	-48.66	382.82	5.90	-42.76
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020293113	0	53	-1.0	-43.77	427.69	7.87	-35.90
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020293113	1	53	-1.0	-43.79	427.75	7.88	-35.91
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020293114	0	50	-1.0	-46.84	409.37	7.15	-39.69
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020293114	1	50	-1.0	-46.86	409.42	7.18	-39.68
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020293115	0	54	-1.0	-41.59	420.44	5.98	-35.61
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020293115	1	54	-1.0	-41.62	420.50	5.99	-35.63
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293116	0	56	-1.0	-42.93	443.32	6.43	-36.50
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293116	1	56	-1.0	-42.93	443.38	6.44	-36.49
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293117	0	53	-1.0	-48.97	426.33	5.55	-43.42
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293117	1	53	-1.0	-48.96	426.38	5.58	-43.38
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293118	0	58	-1.0	-49.66	440.60	8.35	-41.31
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293118	1	58	-1.0	-49.69	440.65	8.37	-41.32
CNC(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293119	0	52	-1.0	-53.70	421.92	3.49	-50.21
CNC(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293119	1	52	-1.0	-53.72	421.98	3.50	-50.22
CNC(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293120	0	49	-1.0	-55.46	408.23	2.60	-52.86
CNC(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293120	1	49	-1.0	-55.47	408.29	2.62	-52.85
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020293121	0	49	-1.0	-44.37	412.96	7.14	-37.23
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020293121	1	49	-1.0	-44.36	413.02	7.15	-37.21
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020293122	0	46	-1.0	-49.38	390.81	6.37	-43.01
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020293122	1	46	-1.0	-49.41	390.76	6.35	-43.06
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1	REAL300020293123	0	49	-1.0	-44.50	393.82	6.40	-38.10
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1	REAL300020293123	1	49	-1.0	-44.49	393.87	6.41	-38.08
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1	REAL300020293124	0	46	-1.0	-42.02	368.31	5.69	-36.33
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1	REAL300020293124	1	46	-1.0	-42.03	368.26	5.68	-36.35
CN(C)C(=O)CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1	REAL300020293125	0	53	-1.0	-44.44	421.44	8.43	-36.01
CN(C)C(=O)CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1	REAL300020293125	1	53	-1.0	-44.42	421.48	8.42	-36.00
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020293126	0	53	-1.0	-58.27	427.05	3.01	-55.26
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020293126	1	53	-1.0	-58.28	427.11	3.03	-55.25
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020293127	0	56	-1.0	-44.92	443.62	6.68	-38.24
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020293127	1	56	-1.0	-44.88	443.68	6.70	-38.18
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020293128	0	53	-1.0	-42.15	421.89	6.19	-35.96
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020293128	1	53	-1.0	-42.11	421.94	6.21	-35.90
COCCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293129	0	56	-1.0	-50.77	458.23	4.26	-46.51
COCCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293129	1	56	-1.0	-50.76	458.29	4.27	-46.49
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020293130	0	54	-1.0	-44.18	413.27	5.14	-39.04
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020293130	1	54	-1.0	-44.14	413.32	5.16	-38.98
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020293131	0	51	-1.0	-42.05	391.80	4.61	-37.44
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020293131	1	51	-1.0	-42.06	391.85	4.64	-37.42
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020293132	0	53	-1.0	-44.77	423.22	5.37	-39.40
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020293132	1	53	-1.0	-44.82	423.27	5.39	-39.43
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020293133	0	50	-1.0	-49.15	405.36	4.56	-44.59
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020293133	1	50	-1.0	-49.12	405.41	4.59	-44.53
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293134	0	56	-1.0	-43.46	438.31	6.01	-37.45
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293134	1	56	-1.0	-43.44	438.37	6.03	-37.41
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293135	0	53	-1.0	-48.29	420.77	5.50	-42.79
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293135	1	53	-1.0	-48.24	420.83	5.52	-42.72
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293136	0	54	-1.0	-43.90	434.30	4.07	-39.83
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293136	1	54	-1.0	-43.87	434.36	4.09	-39.78
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293137	0	51	-1.0	-48.77	417.62	3.42	-45.35
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293137	1	51	-1.0	-48.80	417.67	3.44	-45.36
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020293138	0	52	-1.0	-47.99	415.18	3.21	-44.78
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020293138	1	52	-1.0	-48.00	415.24	3.24	-44.76
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020293139	0	48	-1.0	-42.72	401.57	5.39	-37.33
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020293139	1	48	-1.0	-42.71	401.62	5.40	-37.31
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020293140	0	45	-1.0	-47.49	392.83	4.64	-42.85
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020293140	1	45	-1.0	-47.50	392.89	4.66	-42.84
CCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293141	0	56	-1.0	-45.29	440.85	6.23	-39.06
CCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293141	1	56	-1.0	-45.31	440.91	6.25	-39.06
CCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293142	0	53	-1.0	-50.01	427.26	5.59	-44.42
CCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293142	1	53	-1.0	-50.05	427.31	5.62	-44.43
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020293143	0	53	-1.0	-45.56	419.34	5.32	-40.24
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020293143	1	53	-1.0	-45.55	419.40	5.34	-40.21
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020293144	0	50	-1.0	-50.72	397.56	4.51	-46.21
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020293144	1	50	-1.0	-50.71	397.61	4.54	-46.17
CCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293145	0	56	-1.0	-49.92	458.42	4.63	-45.29
CCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293145	1	56	-1.0	-49.89	458.47	4.65	-45.24
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020293146	0	50	-1.0	-47.54	414.26	6.69	-40.85
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020293146	1	50	-1.0	-47.59	414.32	6.70	-40.89
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020293147	0	47	-1.0	-50.68	391.69	5.90	-44.78
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020293147	1	47	-1.0	-50.68	391.75	5.92	-44.76
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020293148	0	51	-1.0	-53.52	414.39	5.17	-48.35
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020293148	1	51	-1.0	-53.51	414.45	5.21	-48.30
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020293149	0	51	-1.0	-51.35	417.83	1.75	-49.60
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020293149	1	51	-1.0	-51.38	417.88	1.77	-49.61
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020293150	0	48	-1.0	-53.41	400.08	1.11	-52.30
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020293150	1	48	-1.0	-53.37	400.14	1.14	-52.23
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020293151	0	53	-1.0	-45.17	417.83	5.67	-39.50
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020293151	1	53	-1.0	-45.13	417.89	5.69	-39.44
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020293152	0	50	-1.0	-49.10	396.72	4.88	-44.22
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020293152	1	50	-1.0	-49.12	396.78	4.91	-44.21
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293153	0	55	-1.0	-43.10	429.22	7.50	-35.60
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293153	1	55	-1.0	-43.12	429.27	7.52	-35.60
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293154	0	52	-1.0	-48.33	410.71	6.87	-41.46
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293154	1	52	-1.0	-48.29	410.77	6.89	-41.40
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020293155	0	45	-1.0	-46.59	375.72	5.18	-41.41
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020293155	1	45	-1.0	-46.53	375.78	5.20	-41.33
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020293156	0	42	-1.0	-48.06	361.52	4.43	-43.63
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020293156	1	42	-1.0	-48.06	361.58	4.46	-43.60
CC(C#N)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293157	0	49	-1.0	-48.92	402.03	6.26	-42.66
CC(C#N)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293157	1	49	-1.0	-48.91	402.08	6.27	-42.64
CC(C#N)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293158	0	46	-1.0	-52.84	389.36	5.61	-47.23
CC(C#N)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293158	1	46	-1.0	-52.84	389.41	5.64	-47.20
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020293159	0	53	-1.0	-54.21	427.03	3.00	-51.21
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020293159	1	53	-1.0	-54.22	427.09	3.03	-51.19
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020293160	0	58	-1.0	-47.85	450.40	8.27	-39.58
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020293160	1	58	-1.0	-47.88	450.45	8.29	-39.59
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020293161	0	47	-1.0	-51.75	383.41	2.36	-49.39
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020293161	1	47	-1.0	-51.75	383.46	2.38	-49.37
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020293162	0	44	-1.0	-56.61	361.15	1.62	-54.99
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020293162	1	44	-1.0	-56.63	361.10	1.59	-55.04
CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293163	0	53	-1.0	-52.00	429.72	3.79	-48.21
CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293163	1	53	-1.0	-51.99	429.78	3.81	-48.18
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293164	0	52	-1.0	-49.57	426.19	6.26	-43.31
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293164	1	52	-1.0	-49.61	426.25	6.28	-43.33
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020293165	0	53	-1.0	-43.79	434.02	7.02	-36.77
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020293165	1	53	-1.0	-43.82	434.08	7.04	-36.78
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293166	0	53	-1.0	-49.62	436.62	6.69	-42.93
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293166	1	53	-1.0	-49.65	436.56	6.66	-42.99
CCC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=C1	REAL300020293167	0	55	-1.0	-48.77	450.44	8.70	-40.07
CCC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=C1	REAL300020293167	1	55	-1.0	-48.76	450.49	8.72	-40.04
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293168	0	53	-1.0	-43.20	422.16	5.48	-37.72
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293168	1	53	-1.0	-43.25	422.22	5.49	-37.76
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293169	0	50	-1.0	-49.71	401.30	4.75	-44.96
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293169	1	50	-1.0	-49.75	401.36	4.78	-44.97
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293170	0	55	-1.0	-50.66	440.25	2.98	-47.68
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293170	1	55	-1.0	-50.67	440.31	3.01	-47.66
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293170	1	56	0.0	-62.71	436.47	5.40	-57.31
COC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293171	0	52	-1.0	-55.36	426.66	6.21	-49.15
COC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293171	1	52	-1.0	-55.35	426.72	6.23	-49.12
CCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293172	0	52	-1.0	-46.53	417.10	5.27	-41.26
CCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293172	1	52	-1.0	-46.55	417.16	5.29	-41.26
CCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293173	0	49	-1.0	-48.96	403.47	4.38	-44.58
CCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293173	1	49	-1.0	-48.97	403.53	4.40	-44.57
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020293174	0	56	-1.0	-41.12	427.85	6.13	-34.99
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020293174	1	56	-1.0	-41.08	427.89	6.14	-34.94
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020293175	0	54	-1.0	-48.31	422.89	5.79	-42.52
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020293175	1	54	-1.0	-48.32	422.94	5.82	-42.50
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020293176	0	51	-1.0	-57.75	425.96	2.73	-55.02
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020293176	1	51	-1.0	-57.78	426.02	2.74	-55.04
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020293177	0	48	-1.0	-59.09	411.44	1.86	-57.23
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020293177	1	48	-1.0	-59.00	411.50	1.90	-57.10
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293178	0	52	-1.0	-43.09	408.12	6.90	-36.19
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293178	1	52	-1.0	-43.12	408.18	6.92	-36.20
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293179	0	49	-1.0	-49.55	392.47	6.26	-43.29
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293179	1	49	-1.0	-49.57	392.53	6.28	-43.29
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020293180	0	53	-1.0	-44.58	422.48	7.26	-37.32
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020293180	1	53	-1.0	-44.58	422.54	7.27	-37.31
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020293181	0	50	-1.0	-42.40	388.15	6.88	-35.52
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020293181	1	50	-1.0	-42.42	388.20	6.90	-35.52
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020293182	0	47	-1.0	-46.49	393.84	6.07	-40.42
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020293182	1	47	-1.0	-46.53	393.90	6.08	-40.45
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020293183	0	44	-1.0	-45.47	366.69	5.37	-40.10
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020293183	1	44	-1.0	-45.47	366.75	5.40	-40.07
CC(C)COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293184	0	56	-1.0	-46.84	442.77	6.47	-40.37
CC(C)COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293184	1	56	-1.0	-46.85	442.82	6.50	-40.35
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293185	0	58	-1.0	-41.63	446.16	8.21	-33.42
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293185	1	58	-1.0	-41.62	446.21	8.23	-33.39
CC(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293186	0	56	-1.0	-49.44	443.44	6.49	-42.95
CC(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293186	1	56	-1.0	-49.47	443.50	6.51	-42.96
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020293187	0	49	-1.0	-46.02	410.63	6.09	-39.93
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020293187	1	49	-1.0	-46.03	410.69	6.10	-39.93
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020293188	0	46	-1.0	-50.46	382.38	5.36	-45.10
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020293188	1	46	-1.0	-50.43	382.33	5.34	-45.09
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020293189	0	58	0.0	-58.69	433.25	6.93	-51.76
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020293189	1	58	0.0	-58.72	433.30	6.94	-51.78
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020293190	0	54	-1.0	-42.99	415.12	7.33	-35.66
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020293190	1	54	-1.0	-43.01	415.18	7.35	-35.66
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020293191	0	51	-1.0	-47.58	402.03	6.58	-41.00
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020293191	1	51	-1.0	-47.57	402.08	6.60	-40.97
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020293192	0	56	-1.0	-46.23	438.09	6.40	-39.83
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020293192	1	56	-1.0	-46.26	438.15	6.41	-39.85
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020293193	0	53	-1.0	-42.61	419.22	5.56	-37.05
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020293193	1	53	-1.0	-42.57	419.28	5.58	-36.99
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=CO1	REAL300020293194	0	52	-1.0	-45.39	424.23	6.95	-38.44
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=CO1	REAL300020293194	1	52	-1.0	-45.37	424.28	6.96	-38.41
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=CO1	REAL300020293195	0	49	-1.0	-49.99	403.36	6.18	-43.81
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=CO1	REAL300020293195	1	49	-1.0	-49.99	403.41	6.21	-43.78
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020293196	0	49	-1.0	-46.90	413.22	7.36	-39.54
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020293196	1	49	-1.0	-46.94	413.15	7.33	-39.61
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293197	0	55	-1.0	-43.97	444.00	8.89	-35.08
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293197	1	55	-1.0	-43.99	444.05	8.91	-35.08
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293198	0	52	-1.0	-50.26	419.81	8.02	-42.24
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293198	1	52	-1.0	-50.23	419.74	8.00	-42.23
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293199	0	58	0.0	-66.62	446.99	7.61	-59.01
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293199	1	58	0.0	-67.89	433.15	7.45	-60.44
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020293199	1	57	-1.0	-42.50	433.05	4.82	-37.68
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293199	1	57	-1.0	-42.51	433.11	4.84	-37.67
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020293200	0	55	0.0	-60.69	421.47	6.64	-54.05
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020293200	1	55	0.0	-57.87	412.90	6.88	-50.99
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293200	1	55	0.0	-60.74	421.55	6.66	-54.08
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1C	REAL300020293200	1	55	0.0	-57.91	412.96	6.90	-51.01
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1C	REAL300020293200	1	54	-1.0	-48.96	419.14	4.54	-44.42
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020293201	0	56	-1.0	-45.76	443.74	6.18	-39.58
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020293201	1	56	-1.0	-45.84	443.80	6.20	-39.64
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020293202	0	53	-1.0	-41.13	407.33	5.75	-35.38
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020293202	1	53	-1.0	-41.15	407.38	5.75	-35.40
C=C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293203	0	50	-1.0	-44.25	406.74	6.84	-37.41
C=C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293203	1	50	-1.0	-44.24	406.80	6.86	-37.38
C=C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293204	0	47	-1.0	-41.95	380.59	6.13	-35.82
C=C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293204	1	47	-1.0	-41.92	380.53	6.11	-35.81
CCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293205	0	54	-1.0	-42.49	416.19	7.36	-35.13
CCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293205	1	54	-1.0	-42.52	416.24	7.37	-35.15
CCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293206	0	51	-1.0	-47.62	407.37	6.65	-40.97
CCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293206	1	51	-1.0	-47.60	407.43	6.67	-40.93
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020293207	0	53	-1.0	-45.88	431.10	7.34	-38.54
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020293207	1	53	-1.0	-45.87	431.16	7.35	-38.52
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020293208	0	50	-1.0	-44.81	406.88	6.69	-38.12
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020293208	1	50	-1.0	-44.79	406.94	6.71	-38.08
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020293209	0	58	-1.0	-48.41	440.39	7.61	-40.80
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020293209	1	58	-1.0	-48.41	440.44	7.63	-40.78
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293210	0	49	-1.0	-44.38	380.30	6.05	-38.33
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293210	1	49	-1.0	-44.38	380.36	6.06	-38.32
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293211	0	46	-1.0	-48.55	367.25	5.63	-42.92
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293211	1	46	-1.0	-48.56	367.19	5.61	-42.95
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCC(=O)N(C)C)C1	REAL300020293212	0	53	-1.0	-44.69	417.42	8.38	-36.31
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCC(=O)N(C)C)C1	REAL300020293212	1	53	-1.0	-44.72	417.45	8.37	-36.35
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020293213	0	56	-1.0	-43.89	420.91	7.65	-36.24
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020293213	1	56	-1.0	-43.89	420.96	7.66	-36.23
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020293214	0	53	-1.0	-41.82	398.78	7.11	-34.71
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020293214	1	53	-1.0	-41.85	398.82	7.13	-34.72
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293215	0	56	-1.0	-43.40	444.22	5.98	-37.42
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293215	1	56	-1.0	-43.37	444.27	5.99	-37.38
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293216	0	53	-1.0	-48.68	425.79	5.31	-43.37
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293216	1	53	-1.0	-48.71	425.84	5.34	-43.37
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020293217	0	49	-1.0	-60.34	412.89	2.36	-57.98
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020293217	1	49	-1.0	-60.44	412.95	2.38	-58.06
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020293218	0	53	-1.0	-48.03	431.16	7.19	-40.84
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020293218	1	53	-1.0	-48.03	431.22	7.20	-40.83
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020293219	0	50	-1.0	-52.64	410.65	6.42	-46.22
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020293219	1	50	-1.0	-52.61	410.71	6.44	-46.17
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020293220	0	54	-1.0	-44.44	429.93	6.13	-38.31
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020293220	1	54	-1.0	-44.45	429.99	6.14	-38.31
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020293221	0	51	-1.0	-48.86	409.41	5.08	-43.78
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020293221	1	51	-1.0	-48.92	409.46	5.10	-43.82
CCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293222	0	56	-1.0	-44.51	438.33	6.24	-38.27
CCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293222	1	56	-1.0	-44.53	438.39	6.25	-38.28
CCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293223	0	53	-1.0	-48.86	417.48	5.46	-43.40
CCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293223	1	53	-1.0	-48.79	417.54	5.48	-43.31
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293224	0	51	-1.0	-58.57	433.31	2.74	-55.83
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293224	1	51	-1.0	-58.60	433.37	2.78	-55.82
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020293225	0	54	-1.0	-46.67	430.66	5.66	-41.01
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020293225	1	54	-1.0	-46.62	430.72	5.68	-40.94
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020293226	0	51	-1.0	-51.20	408.81	4.87	-46.33
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020293226	1	51	-1.0	-51.18	408.86	4.90	-46.28
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020293227	0	49	-1.0	-52.29	389.61	3.52	-48.77
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020293227	1	49	-1.0	-52.29	389.66	3.54	-48.75
CC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293228	0	53	-1.0	-52.35	430.81	3.96	-48.39
CC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293228	1	53	-1.0	-52.33	430.86	3.99	-48.34
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020293229	0	55	-1.0	-44.93	450.77	8.88	-36.05
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020293229	1	55	-1.0	-44.92	450.83	8.90	-36.02
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020293230	0	52	-1.0	-41.70	416.34	8.34	-33.36
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020293230	1	52	-1.0	-41.73	416.38	8.36	-33.37
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293231	0	58	0.0	-66.43	442.78	7.31	-59.12
CC(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293231	1	57	-1.0	-42.81	441.15	5.08	-37.73
CC(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293231	1	57	-1.0	-42.88	441.21	5.09	-37.79
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293232	0	55	0.0	-61.15	421.02	6.68	-54.47
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293232	1	55	0.0	-61.18	421.08	6.70	-54.48
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293232	1	54	-1.0	-48.52	419.44	4.21	-44.31
COCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293233	0	49	-1.0	-46.63	395.66	4.29	-42.34
COCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293233	1	49	-1.0	-46.58	395.72	4.30	-42.28
COCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293234	0	46	-1.0	-48.73	381.20	3.40	-45.33
COCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293234	1	46	-1.0	-48.72	381.26	3.42	-45.30
COCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020293235	0	53	-1.0	-44.87	431.10	6.18	-38.69
COCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020293235	1	53	-1.0	-44.89	431.14	6.17	-38.72
CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293236	0	55	-1.0	-43.82	426.66	6.61	-37.21
CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293236	1	55	-1.0	-43.78	426.72	6.62	-37.16
CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293237	0	52	-1.0	-44.03	402.74	5.92	-38.11
CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293237	1	52	-1.0	-43.99	402.78	5.95	-38.04
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020293238	0	51	-1.0	-45.95	424.74	6.51	-39.44
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020293238	1	51	-1.0	-45.97	424.79	6.53	-39.44
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020293239	0	48	-1.0	-49.84	402.51	5.76	-44.08
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020293239	1	48	-1.0	-49.86	402.45	5.74	-44.12
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020293240	0	52	-1.0	-44.78	403.81	6.71	-38.07
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020293240	1	52	-1.0	-44.83	403.86	6.72	-38.11
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020293241	0	49	-1.0	-42.47	378.57	6.00	-36.47
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020293241	1	49	-1.0	-42.53	378.62	6.02	-36.51
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293242	0	55	-1.0	-46.13	436.54	8.71	-37.42
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293242	1	55	-1.0	-46.15	436.60	8.73	-37.42
CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293243	0	52	-1.0	-49.17	418.01	7.98	-41.19
CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293243	1	52	-1.0	-49.12	417.95	7.96	-41.16
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020293244	0	49	-1.0	-48.14	402.56	8.42	-39.72
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020293244	1	49	-1.0	-48.11	402.61	8.43	-39.68
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020293245	0	46	-1.0	-45.20	363.97	8.84	-36.36
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020293245	1	46	-1.0	-45.16	363.91	8.83	-36.33
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020293246	0	50	-1.0	-43.45	395.44	4.57	-38.88
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020293246	1	50	-1.0	-43.51	395.50	4.59	-38.92
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020293247	0	47	-1.0	-48.63	377.36	3.74	-44.89
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020293247	1	47	-1.0	-48.61	377.42	3.76	-44.85
COC1=CC=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=C1	REAL300020293248	0	50	-1.0	-47.32	413.37	7.94	-39.38
COC1=CC=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=C1	REAL300020293248	1	50	-1.0	-47.26	413.31	7.92	-39.34
COC1=CC=C(NC2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=C1	REAL300020293249	0	47	-1.0	-52.74	392.79	7.13	-45.61
COC1=CC=C(NC2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=C1	REAL300020293249	1	47	-1.0	-52.76	392.73	7.10	-45.66
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020293250	0	50	-1.0	-44.18	398.73	6.50	-37.68
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020293250	1	50	-1.0	-44.16	398.78	6.52	-37.64
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020293251	0	47	-1.0	-41.15	387.37	5.18	-35.97
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020293251	1	47	-1.0	-41.17	387.43	5.20	-35.97
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293252	0	58	0.0	-61.00	436.36	7.24	-53.76
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293252	1	58	0.0	-61.00	436.42	7.26	-53.74
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020293253	0	58	-1.0	-44.40	431.19	8.27	-36.13
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020293253	1	58	-1.0	-44.41	431.24	8.28	-36.13
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020293254	0	55	-1.0	-48.99	416.27	7.83	-41.16
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020293254	1	55	-1.0	-48.97	416.33	7.85	-41.12
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020293255	0	54	-1.0	-44.35	416.82	5.48	-38.87
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020293255	1	54	-1.0	-44.34	416.87	5.49	-38.85
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020293256	0	51	-1.0	-49.78	408.43	5.13	-44.65
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020293256	1	51	-1.0	-49.76	408.48	5.15	-44.61
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020293257	0	54	-1.0	-42.72	416.57	5.99	-36.73
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020293257	1	54	-1.0	-42.74	416.62	6.01	-36.73
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293258	0	58	0.0	-60.96	434.13	7.40	-53.56
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293258	1	58	0.0	-58.75	416.61	7.05	-51.70
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293258	1	58	0.0	-60.89	434.18	7.42	-53.47
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293258	1	58	0.0	-58.78	416.67	7.07	-51.71
CON(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293259	0	43	-1.0	-43.94	356.89	5.05	-38.89
CON(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293259	1	43	-1.0	-43.97	356.95	5.06	-38.91
CON(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293260	0	40	-1.0	-40.91	326.30	4.51	-36.40
CON(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293260	1	40	-1.0	-40.96	326.24	4.50	-36.46
CON(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020293261	0	47	-1.0	-44.30	381.06	7.13	-37.17
CON(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020293261	1	47	-1.0	-44.32	381.09	7.12	-37.20
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCCO1	REAL300020293262	0	53	-1.0	-44.15	417.31	5.45	-38.70
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCCO1	REAL300020293262	1	53	-1.0	-44.17	417.37	5.46	-38.71
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCCO1	REAL300020293263	0	50	-1.0	-42.26	390.66	4.96	-37.30
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCCO1	REAL300020293263	1	50	-1.0	-42.27	390.72	4.98	-37.29
CCC1C(=O)NCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293264	0	53	-1.0	-49.54	423.86	3.66	-45.88
CCC1C(=O)NCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293264	1	53	-1.0	-49.61	423.92	3.67	-45.94
CCC1C(=O)NCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293265	0	50	-1.0	-48.43	399.23	3.20	-45.23
CCC1C(=O)NCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293265	1	50	-1.0	-48.43	399.28	3.23	-45.20
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293266	0	53	-1.0	-52.97	412.63	3.32	-49.65
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293266	1	53	-1.0	-52.93	412.68	3.34	-49.59
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293267	0	50	-1.0	-65.22	401.78	2.85	-62.37
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293267	1	50	-1.0	-65.23	401.84	2.87	-62.36
COC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293268	0	50	-1.0	-44.13	400.60	3.98	-40.15
COC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293268	1	50	-1.0	-44.10	400.65	4.00	-40.10
COC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293269	0	47	-1.0	-42.44	378.12	3.44	-39.00
COC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293269	1	47	-1.0	-42.49	378.17	3.47	-39.02
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C	REAL300020293270	0	52	-1.0	-44.87	404.82	5.98	-38.89
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C	REAL300020293270	1	52	-1.0	-44.85	404.86	6.00	-38.85
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C	REAL300020293271	0	49	-1.0	-42.73	382.49	5.60	-37.13
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C	REAL300020293271	1	49	-1.0	-42.71	382.43	5.58	-37.13
CCC1CC(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293272	0	55	-1.0	-45.87	421.98	6.96	-38.91
CCC1CC(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293272	1	55	-1.0	-45.84	422.04	6.97	-38.87
CCC1CC(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293273	0	52	-1.0	-43.99	407.32	6.09	-37.90
CCC1CC(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293273	1	52	-1.0	-43.98	407.37	6.10	-37.88
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293274	0	50	-1.0	-43.69	397.03	4.62	-39.07
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293274	1	50	-1.0	-43.67	397.09	4.64	-39.03
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293275	0	47	-1.0	-49.84	381.42	4.06	-45.78
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293275	1	47	-1.0	-49.86	381.47	4.08	-45.78
CC(C)CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293276	0	58	-1.0	-44.43	421.43	8.42	-36.01
CC(C)CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293276	1	58	-1.0	-44.46	421.47	8.43	-36.03
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293277	0	58	-1.0	-42.48	442.77	7.06	-35.42
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293277	1	58	-1.0	-42.48	442.82	7.07	-35.41
COC1=CC=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020293278	0	50	-1.0	-49.18	409.46	7.76	-41.42
COC1=CC=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020293278	1	50	-1.0	-49.15	409.40	7.75	-41.40
COC1=CC=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020293279	0	47	-1.0	-55.71	392.42	7.14	-48.57
COC1=CC=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020293279	1	47	-1.0	-55.77	392.36	7.12	-48.65
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C)C=C1	REAL300020293280	0	46	-1.0	-48.32	386.88	7.50	-40.82
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C)C=C1	REAL300020293280	1	46	-1.0	-48.34	386.83	7.49	-40.85
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C)C=C1	REAL300020293281	0	43	-1.0	-52.46	365.85	6.72	-45.74
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C)C=C1	REAL300020293281	1	43	-1.0	-52.45	365.80	6.70	-45.75
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020293282	0	46	-1.0	-49.67	382.75	6.37	-43.30
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020293282	1	46	-1.0	-49.70	382.69	6.36	-43.34
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020293283	0	43	-1.0	-54.93	366.07	5.75	-49.18
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020293283	1	43	-1.0	-54.95	366.02	5.72	-49.23
CC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293284	0	55	-1.0	-43.70	409.17	6.31	-37.39
CC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293284	1	55	-1.0	-43.70	409.22	6.32	-37.38
CC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293285	0	52	-1.0	-49.91	397.68	5.59	-44.32
CC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293285	1	52	-1.0	-49.93	397.74	5.62	-44.31
CON1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293286	0	55	-1.0	-49.74	415.25	3.87	-45.87
CON1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293286	1	55	-1.0	-49.72	415.30	3.90	-45.82
CCC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020293287	0	55	-1.0	-45.99	441.11	9.72	-36.27
CCC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020293287	1	55	-1.0	-46.05	441.17	9.74	-36.31
CCC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020293288	0	52	-1.0	-54.21	427.51	9.16	-45.05
CCC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020293288	1	52	-1.0	-54.21	427.46	9.14	-45.07
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020293289	0	56	-1.0	-45.26	424.84	7.88	-37.38
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020293289	1	56	-1.0	-45.23	424.90	7.89	-37.34
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020293290	0	53	-1.0	-40.99	397.41	7.19	-33.80
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020293290	1	53	-1.0	-41.03	397.46	7.21	-33.82
COC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293291	0	53	-1.0	-47.38	413.63	5.10	-42.28
COC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293291	1	53	-1.0	-47.40	413.69	5.12	-42.28
COC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293292	0	50	-1.0	-50.93	398.41	4.12	-46.81
COC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293292	1	50	-1.0	-50.94	398.46	4.15	-46.79
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020293293	0	50	-1.0	-44.44	408.68	7.61	-36.83
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020293293	1	50	-1.0	-44.48	408.73	7.63	-36.85
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020293294	0	47	-1.0	-49.21	396.94	6.62	-42.59
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020293294	1	47	-1.0	-49.25	396.88	6.60	-42.65
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020293295	0	50	-1.0	-46.53	410.35	7.09	-39.44
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020293295	1	50	-1.0	-46.49	410.41	7.10	-39.39
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020293296	0	47	-1.0	-44.00	387.14	7.18	-36.82
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020293296	1	47	-1.0	-44.01	387.20	7.20	-36.81
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020293297	0	55	-1.0	-44.21	436.99	7.55	-36.66
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020293297	1	55	-1.0	-44.21	437.05	7.56	-36.65
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020293298	0	52	-1.0	-48.37	415.71	6.78	-41.59
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020293298	1	52	-1.0	-48.36	415.76	6.80	-41.56
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020293299	0	54	-1.0	-46.45	419.41	4.83	-41.62
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020293299	1	54	-1.0	-46.44	419.46	4.85	-41.59
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020293300	0	51	-1.0	-52.15	404.50	5.01	-47.14
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020293300	1	51	-1.0	-52.20	404.55	5.04	-47.16
CC1C(CO)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293301	0	56	-1.0	-45.39	431.28	4.06	-41.33
CC1C(CO)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293301	1	56	-1.0	-45.37	431.33	4.08	-41.29
CC1C(CO)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293302	0	53	-1.0	-43.29	414.61	2.52	-40.77
CC1C(CO)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293302	1	53	-1.0	-43.30	414.67	2.54	-40.76
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CC(C)(C)C1	REAL300020293303	0	58	-1.0	-44.27	441.85	8.02	-36.25
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CC(C)(C)C1	REAL300020293303	1	58	-1.0	-44.25	441.91	8.04	-36.21
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CC(C)(C)C1	REAL300020293304	0	55	-1.0	-49.38	435.47	7.27	-42.11
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CC(C)(C)C1	REAL300020293304	1	55	-1.0	-49.38	435.53	7.29	-42.09
CC(C1CC1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293305	0	52	-1.0	-43.57	409.57	7.09	-36.48
CC(C1CC1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293305	1	52	-1.0	-43.59	409.63	7.10	-36.49
CC(C1CC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293306	0	49	-1.0	-48.04	396.08	5.67	-42.37
CC(C1CC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293306	1	49	-1.0	-48.03	396.14	5.69	-42.34
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020293307	0	50	-1.0	-43.70	407.22	4.97	-38.73
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020293307	1	50	-1.0	-43.75	407.28	4.99	-38.76
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020293308	0	47	-1.0	-49.00	391.04	4.08	-44.92
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020293308	1	47	-1.0	-48.99	391.10	4.10	-44.89
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020293309	0	56	-1.0	-44.06	442.51	8.27	-35.79
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020293309	1	56	-1.0	-44.03	442.56	8.29	-35.74
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020293310	0	53	-1.0	-42.03	416.39	7.63	-34.40
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020293310	1	53	-1.0	-42.00	416.47	7.64	-34.36
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=C1C	REAL300020293311	0	55	-1.0	-48.89	445.22	8.49	-40.40
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=C1C	REAL300020293311	1	55	-1.0	-48.89	445.17	8.47	-40.42
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)=N1	REAL300020293312	0	54	-1.0	-46.02	446.35	7.11	-38.91
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)=N1	REAL300020293312	1	54	-1.0	-46.06	446.41	7.12	-38.94
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=N1	REAL300020293313	0	51	-1.0	-51.28	424.06	6.35	-44.93
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=N1	REAL300020293313	1	51	-1.0	-51.33	424.12	6.37	-44.96
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020293314	0	58	-1.0	-42.25	432.54	7.88	-34.37
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020293314	1	58	-1.0	-42.26	432.59	7.90	-34.36
COCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293315	0	55	-1.0	-46.00	438.57	5.82	-40.18
COCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293315	1	55	-1.0	-46.01	438.63	5.83	-40.18
COCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293316	0	52	-1.0	-49.15	424.47	4.94	-44.21
COCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293316	1	52	-1.0	-49.13	424.53	4.97	-44.16
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C(C)C1C	REAL300020293317	0	55	-1.0	-43.08	424.39	7.11	-35.97
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C(C)C1C	REAL300020293317	1	55	-1.0	-43.07	424.45	7.12	-35.95
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C(C)C1C	REAL300020293318	0	52	-1.0	-42.96	410.16	6.63	-36.33
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C(C)C1C	REAL300020293318	1	52	-1.0	-42.96	410.21	6.66	-36.30
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(CC)O1	REAL300020293319	0	56	-1.0	-48.24	441.76	6.48	-41.76
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(CC)O1	REAL300020293319	1	56	-1.0	-48.28	441.82	6.51	-41.77
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCC(=O)N(C)C)CCC2=C1	REAL300020293320	0	53	-1.0	-51.43	420.84	7.45	-43.98
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCC(=O)N(C)C)CCC2=C1	REAL300020293320	1	53	-1.0	-51.49	420.79	7.42	-44.07
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293321	0	53	-1.0	-49.70	419.30	3.80	-45.90
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293321	1	53	-1.0	-49.69	419.35	3.81	-45.88
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293322	0	50	-1.0	-56.04	405.35	3.39	-52.65
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293322	1	50	-1.0	-56.00	405.41	3.41	-52.59
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020293323	0	56	-1.0	-42.38	425.91	8.24	-34.14
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020293323	1	56	-1.0	-42.39	425.97	8.26	-34.13
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C2=CC=CC=C21	REAL300020293324	0	53	-1.0	-46.07	416.89	10.64	-35.43
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C2=CC=CC=C21	REAL300020293324	1	53	-1.0	-46.06	416.95	10.65	-35.41
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C2=CC=CC=C21	REAL300020293325	0	50	-1.0	-46.19	395.57	10.05	-36.14
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C2=CC=CC=C21	REAL300020293325	1	50	-1.0	-46.17	395.51	10.03	-36.14
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)[C@H](C)C1	REAL300020293326	0	55	-1.0	-43.89	430.10	6.76	-37.13
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)[C@H](C)C1	REAL300020293326	1	55	-1.0	-43.86	430.15	6.77	-37.09
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)[C@H](C)C1	REAL300020293327	0	52	-1.0	-49.36	396.65	5.45	-43.91
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)[C@H](C)C1	REAL300020293327	1	52	-1.0	-49.37	396.71	5.47	-43.90
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020293328	0	54	-1.0	-46.43	427.17	5.67	-40.76
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020293328	1	54	-1.0	-46.38	427.22	5.68	-40.70
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020293329	0	51	-1.0	-51.30	406.08	4.87	-46.43
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020293329	1	51	-1.0	-51.34	406.13	4.89	-46.45
C#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293330	0	51	-1.0	-44.51	419.62	7.49	-37.02
C#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293330	1	51	-1.0	-44.54	419.68	7.51	-37.03
C#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293331	0	48	-1.0	-48.82	398.49	6.71	-42.11
C#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293331	1	48	-1.0	-48.82	398.55	6.73	-42.09
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293332	0	54	-1.0	-43.35	435.93	8.09	-35.26
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293332	1	54	-1.0	-43.34	435.98	8.11	-35.23
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293333	0	51	-1.0	-49.44	414.31	7.53	-41.91
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293333	1	51	-1.0	-49.43	414.36	7.56	-41.87
CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293334	0	56	-1.0	-46.29	445.78	6.06	-40.23
CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293334	1	56	-1.0	-46.30	445.84	6.07	-40.23
CC(C)O[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293335	0	53	-1.0	-41.40	410.41	5.52	-35.88
CC(C)O[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293335	1	53	-1.0	-41.38	410.46	5.54	-35.84
CC(=O)NCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293336	0	52	-1.0	-49.03	422.82	3.55	-45.48
CC(=O)NCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293336	1	52	-1.0	-49.09	422.87	3.56	-45.53
CC(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293337	0	49	-1.0	-53.34	409.00	2.66	-50.68
CC(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293337	1	49	-1.0	-53.29	409.06	2.68	-50.61
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@H]1C	REAL300020293338	0	52	-1.0	-43.81	412.36	6.08	-37.73
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@H]1C	REAL300020293338	1	52	-1.0	-43.79	412.42	6.11	-37.68
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCC(=O)N(C)C)CC2=C1	REAL300020293339	0	51	-1.0	-50.68	415.29	6.16	-44.52
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCC(=O)N(C)C)CC2=C1	REAL300020293339	1	51	-1.0	-50.63	415.23	6.14	-44.49
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020293340	0	48	-1.0	-49.72	406.65	7.26	-42.46
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020293340	1	48	-1.0	-49.68	406.59	7.23	-42.45
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293341	0	51	-1.0	-44.85	418.79	7.66	-37.19
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293341	1	51	-1.0	-44.90	418.85	7.68	-37.22
C#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293342	0	48	-1.0	-48.79	398.49	6.70	-42.09
C#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293342	1	48	-1.0	-48.82	398.54	6.73	-42.09
CC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)=N1	REAL300020293343	0	50	-1.0	-45.04	421.68	3.88	-41.16
CC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)=N1	REAL300020293343	1	50	-1.0	-45.02	421.74	3.89	-41.13
CC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=N1	REAL300020293344	0	47	-1.0	-47.45	400.16	3.15	-44.30
CC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=N1	REAL300020293344	1	47	-1.0	-47.51	400.21	3.18	-44.33
COC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293345	0	54	-1.0	-51.48	427.58	2.31	-49.17
COC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293345	1	54	-1.0	-51.49	427.64	2.33	-49.16
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020293346	0	58	0.0	-66.33	441.91	7.59	-58.74
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[NH+]1CCCCC1	REAL300020293346	1	58	0.0	-66.33	441.97	7.61	-58.72
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020293347	0	50	-1.0	-45.26	412.43	7.05	-38.21
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020293347	1	50	-1.0	-45.23	412.49	7.06	-38.17
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020293348	0	47	-1.0	-50.25	392.98	6.34	-43.91
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020293348	1	47	-1.0	-50.20	393.04	6.37	-43.83
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020293349	0	48	-1.0	-55.67	411.70	7.28	-48.39
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020293349	1	48	-1.0	-55.62	411.64	7.26	-48.36
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020293350	0	47	-1.0	-45.04	385.91	6.34	-38.70
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020293350	1	47	-1.0	-45.03	385.97	6.36	-38.67
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020293351	0	44	-1.0	-42.81	364.02	5.82	-36.99
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020293351	1	44	-1.0	-42.79	364.07	5.85	-36.94
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020293352	0	49	-1.0	-44.59	402.18	6.69	-37.90
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020293352	1	49	-1.0	-44.55	402.24	6.70	-37.85
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020293353	0	46	-1.0	-48.45	380.90	5.91	-42.54
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020293353	1	46	-1.0	-48.44	380.95	5.93	-42.51
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020293354	0	50	-1.0	-44.64	407.79	7.26	-37.38
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020293354	1	50	-1.0	-44.64	407.84	7.29	-37.35
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC2(CCC2)O1	REAL300020293355	0	54	-1.0	-48.90	430.79	5.85	-43.05
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC2(CCC2)O1	REAL300020293355	1	54	-1.0	-48.93	430.85	5.87	-43.06
CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293356	0	56	-1.0	-42.59	443.73	6.26	-36.33
CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293356	1	56	-1.0	-42.64	443.79	6.28	-36.36
CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293357	0	53	-1.0	-48.38	426.40	5.60	-42.78
CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293357	1	53	-1.0	-48.38	426.46	5.62	-42.76
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CCCOC1	REAL300020293358	0	56	-1.0	-44.98	426.89	4.91	-40.07
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CCCOC1	REAL300020293358	1	56	-1.0	-44.95	426.95	4.93	-40.02
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CCCOC1	REAL300020293359	0	53	-1.0	-49.46	409.42	4.28	-45.18
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CCCOC1	REAL300020293359	1	53	-1.0	-49.52	409.48	4.31	-45.21
CC(C)OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293360	0	56	-1.0	-48.58	447.07	6.34	-42.24
CC(C)OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293360	1	56	-1.0	-48.58	447.12	6.37	-42.21
CCN(CCSC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293361	0	52	-1.0	-46.11	423.65	6.20	-39.91
CCN(CCSC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293361	1	52	-1.0	-46.09	423.70	6.21	-39.88
CCN(CCSC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293362	0	49	-1.0	-51.28	402.14	5.40	-45.88
CCN(CCSC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293362	1	49	-1.0	-51.28	402.20	5.43	-45.85
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020293363	0	50	-1.0	-47.55	414.69	7.28	-40.27
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020293363	1	50	-1.0	-47.59	414.75	7.31	-40.28
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020293364	0	50	-1.0	-49.34	409.24	4.39	-44.95
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020293364	1	50	-1.0	-49.34	409.30	4.41	-44.93
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020293365	0	47	-1.0	-43.88	383.67	3.82	-40.06
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020293365	1	47	-1.0	-43.89	383.72	3.84	-40.05
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020293366	0	50	-1.0	-44.16	393.13	6.94	-37.22
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020293366	1	50	-1.0	-44.16	393.19	6.95	-37.21
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020293367	0	47	-1.0	-48.89	374.20	6.13	-42.76
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020293367	1	47	-1.0	-48.91	374.26	6.15	-42.76
CC1COC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293368	0	54	-1.0	-42.35	422.83	5.37	-36.98
CC1COC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293368	1	54	-1.0	-42.32	422.88	5.39	-36.93
CC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCC(=O)N(C)C)CC2=C1	REAL300020293369	0	53	-1.0	-51.49	420.10	7.42	-44.07
CC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCC(=O)N(C)C)CC2=C1	REAL300020293369	1	53	-1.0	-51.47	420.05	7.40	-44.07
COCCN(CCF)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293370	0	52	-1.0	-44.99	420.40	4.26	-40.73
COCCN(CCF)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293370	1	52	-1.0	-44.97	420.45	4.27	-40.70
COCCN(CCF)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293371	0	49	-1.0	-47.04	395.76	4.00	-43.04
COCCN(CCF)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293371	1	49	-1.0	-47.03	395.81	4.02	-43.01
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020293372	0	54	-1.0	-46.33	432.72	4.34	-41.99
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020293372	1	54	-1.0	-46.31	432.78	4.36	-41.95
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020293373	0	51	-1.0	-49.51	412.04	3.54	-45.97
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020293373	1	51	-1.0	-49.55	412.10	3.57	-45.98
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020293374	0	54	-1.0	-44.91	436.87	5.87	-39.04
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020293374	1	54	-1.0	-44.87	436.92	5.88	-38.99
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020293375	0	51	-1.0	-47.86	411.58	5.29	-42.57
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020293375	1	51	-1.0	-47.85	411.63	5.32	-42.53
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020293376	0	54	-1.0	-41.62	407.11	4.73	-36.89
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020293376	1	54	-1.0	-41.64	407.16	4.74	-36.90
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020293377	0	54	-1.0	-46.25	428.20	1.17	-45.08
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020293377	1	54	-1.0	-46.25	428.26	1.18	-45.07
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020293378	0	51	-1.0	-52.03	410.38	0.54	-51.49
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020293378	1	51	-1.0	-52.05	410.44	0.56	-51.49
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020293379	0	56	-1.0	-41.29	434.84	8.48	-32.81
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020293379	1	56	-1.0	-41.33	434.90	8.50	-32.83
C=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293380	0	56	-1.0	-43.06	442.58	8.07	-34.99
C=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293380	1	56	-1.0	-43.09	442.64	8.09	-35.00
C=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293381	0	53	-1.0	-48.36	424.01	7.42	-40.94
C=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293381	1	53	-1.0	-48.33	424.07	7.44	-40.89
CCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)=N1	REAL300020293382	0	49	-1.0	-48.25	408.40	8.38	-39.87
CCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)=N1	REAL300020293382	1	49	-1.0	-48.24	408.35	8.36	-39.88
CCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=N1	REAL300020293383	0	46	-1.0	-52.45	387.58	7.61	-44.84
CCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=N1	REAL300020293383	1	46	-1.0	-52.45	387.52	7.57	-44.88
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293384	0	54	-1.0	-43.35	435.93	8.09	-35.26
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293384	1	54	-1.0	-43.34	435.98	8.11	-35.23
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293385	0	51	-1.0	-49.44	414.31	7.53	-41.91
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293385	1	51	-1.0	-49.43	414.36	7.56	-41.87
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020293386	0	53	-1.0	-47.59	429.90	7.26	-40.33
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020293386	1	53	-1.0	-47.58	429.96	7.27	-40.31
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020293387	0	50	-1.0	-51.21	407.88	6.70	-44.51
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020293387	1	50	-1.0	-51.21	407.94	6.73	-44.48
CCC(C)N(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293388	0	54	-1.0	-43.68	417.25	5.39	-38.29
CCC(C)N(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293388	1	54	-1.0	-43.66	417.31	5.41	-38.25
CCC(C)N(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293389	0	51	-1.0	-49.36	401.44	4.79	-44.57
CCC(C)N(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293389	1	51	-1.0	-49.43	401.50	4.81	-44.62
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020293390	0	57	-1.0	-42.15	415.92	7.86	-34.29
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020293390	1	57	-1.0	-42.16	415.98	7.88	-34.28
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020293391	0	53	-1.0	-43.09	428.77	7.60	-35.49
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020293391	1	53	-1.0	-43.14	428.83	7.61	-35.53
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020293392	0	54	-1.0	-41.82	421.03	6.15	-35.67
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020293392	1	54	-1.0	-41.81	421.09	6.17	-35.64
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020293393	0	58	-1.0	-49.98	435.52	7.70	-42.28
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020293393	1	58	-1.0	-49.98	435.58	7.72	-42.26
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293394	0	58	-1.0	-49.86	430.88	8.14	-41.72
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293394	1	58	-1.0	-49.88	430.93	8.17	-41.71
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020293395	0	53	-1.0	-50.00	430.47	6.50	-43.50
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020293395	1	53	-1.0	-50.00	430.41	6.46	-43.54
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020293396	0	55	-1.0	-44.30	435.02	7.65	-36.65
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020293396	1	55	-1.0	-44.32	435.07	7.67	-36.65
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020293397	0	52	-1.0	-50.97	418.36	7.00	-43.97
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020293397	1	52	-1.0	-50.98	418.42	7.02	-43.96
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020293398	0	54	-1.0	-46.08	422.44	5.08	-41.00
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020293398	1	54	-1.0	-46.10	422.49	5.09	-41.01
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020293399	0	51	-1.0	-44.74	391.37	4.39	-40.35
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020293399	1	51	-1.0	-44.75	391.42	4.41	-40.34
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@H](C)O1	REAL300020293400	0	56	-1.0	-43.31	440.45	6.30	-37.01
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@H](C)O1	REAL300020293400	1	56	-1.0	-43.33	440.49	6.31	-37.02
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@H](C)O1	REAL300020293401	0	53	-1.0	-40.78	415.23	5.56	-35.22
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@H](C)O1	REAL300020293401	1	53	-1.0	-40.76	415.29	5.58	-35.18
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020293402	0	52	-1.0	-43.87	403.20	7.50	-36.37
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020293402	1	52	-1.0	-43.85	403.25	7.52	-36.33
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020293403	0	49	-1.0	-47.88	396.88	6.44	-41.44
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020293403	1	49	-1.0	-47.89	396.94	6.47	-41.42
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020293404	0	51	-1.0	-51.74	412.90	4.45	-47.29
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020293404	1	51	-1.0	-51.76	412.96	4.46	-47.30
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020293405	0	48	-1.0	-57.65	404.94	3.77	-53.88
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020293405	1	48	-1.0	-57.67	405.01	3.79	-53.88
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293406	0	58	-1.0	-44.32	448.89	7.38	-36.94
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293406	1	58	-1.0	-44.33	448.94	7.40	-36.93
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293407	0	55	-1.0	-42.83	425.85	6.59	-36.24
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293407	1	55	-1.0	-42.85	425.90	6.61	-36.24
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020293408	0	51	-1.0	-44.16	406.26	4.38	-39.78
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020293408	1	51	-1.0	-44.18	406.32	4.39	-39.79
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020293409	0	48	-1.0	-51.10	388.53	3.63	-47.47
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020293409	1	48	-1.0	-51.08	388.58	3.66	-47.42
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020293410	0	53	-1.0	-60.56	408.68	4.04	-56.52
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020293410	1	53	-1.0	-60.63	408.74	4.06	-56.57
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020293411	0	51	-1.0	-41.73	411.90	7.23	-34.50
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020293411	1	51	-1.0	-41.74	411.96	7.25	-34.49
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020293412	0	48	-1.0	-48.52	390.17	7.03	-41.49
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020293412	1	48	-1.0	-48.60	390.22	7.06	-41.54
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C(N)=O)O1	REAL300020293413	0	51	-1.0	-45.09	411.53	1.90	-43.19
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C(N)=O)O1	REAL300020293413	1	51	-1.0	-45.07	411.59	1.92	-43.15
COC(=O)N(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293414	0	53	-1.0	-52.03	440.45	4.67	-47.36
COC(=O)N(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293414	1	53	-1.0	-51.97	440.51	4.70	-47.27
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020293415	0	53	-1.0	-47.93	419.96	4.03	-43.90
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020293415	1	53	-1.0	-47.97	420.02	4.04	-43.93
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020293416	0	50	-1.0	-48.40	402.32	4.60	-43.80
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020293416	1	50	-1.0	-48.38	402.38	4.62	-43.76
CCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293417	0	60	-1.0	-47.78	466.37	8.45	-39.33
CCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293417	1	60	-1.0	-47.80	466.43	8.47	-39.33
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020293418	0	56	-1.0	-48.07	439.01	8.40	-39.67
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020293418	1	56	-1.0	-48.07	439.07	8.42	-39.65
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020293419	0	51	-1.0	-45.60	418.06	4.83	-40.77
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020293419	1	51	-1.0	-45.58	418.12	4.85	-40.73
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020293420	0	48	-1.0	-49.66	396.81	4.01	-45.65
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020293420	1	48	-1.0	-49.62	396.75	3.99	-45.63
C=C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293421	0	49	-1.0	-44.40	395.15	6.34	-38.06
C=C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293421	1	49	-1.0	-44.46	395.21	6.36	-38.10
C=C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293422	0	46	-1.0	-47.87	380.00	5.46	-42.41
C=C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293422	1	46	-1.0	-47.81	379.96	5.44	-42.37
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020293423	0	53	-1.0	-44.08	429.70	8.22	-35.86
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020293423	1	53	-1.0	-44.12	429.73	8.21	-35.91
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020293424	0	50	-1.0	-49.80	410.37	4.98	-44.82
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020293424	1	50	-1.0	-49.80	410.42	5.00	-44.80
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020293425	0	51	-1.0	-45.12	405.79	4.78	-40.34
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020293425	1	51	-1.0	-45.17	405.85	4.79	-40.38
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020293426	0	48	-1.0	-41.97	378.53	4.06	-37.91
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020293426	1	48	-1.0	-41.95	378.59	4.08	-37.87
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020293427	0	50	-1.0	-42.52	398.55	7.06	-35.46
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020293427	1	50	-1.0	-42.53	398.60	7.07	-35.46
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020293428	0	47	-1.0	-48.93	381.88	6.39	-42.54
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020293428	1	47	-1.0	-48.96	381.94	6.42	-42.54
CC1=NN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)S1	REAL300020293429	0	47	-1.0	-49.00	403.17	4.34	-44.66
CC1=NN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)S1	REAL300020293429	1	47	-1.0	-48.99	403.22	4.37	-44.62
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C)C2	REAL300020293430	0	50	-1.0	-45.30	394.64	6.42	-38.88
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C)C2	REAL300020293430	1	50	-1.0	-45.36	394.70	6.44	-38.92
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C)C2	REAL300020293431	0	47	-1.0	-44.46	369.37	5.67	-38.79
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C)C2	REAL300020293431	1	47	-1.0	-44.44	369.42	5.71	-38.73
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020293432	0	51	-1.0	-43.22	421.32	7.32	-35.90
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020293432	1	51	-1.0	-43.17	421.37	7.33	-35.84
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020293433	0	48	-1.0	-47.53	403.93	6.80	-40.73
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020293433	1	48	-1.0	-47.50	403.99	6.82	-40.68
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020293434	0	54	-1.0	-44.87	427.09	5.86	-39.01
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020293434	1	54	-1.0	-44.88	427.14	5.88	-39.00
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020293435	0	51	-1.0	-49.74	392.68	4.37	-45.37
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020293435	1	51	-1.0	-49.75	392.74	4.39	-45.36
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020293436	0	56	-1.0	-42.55	440.17	8.36	-34.19
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020293436	1	56	-1.0	-42.51	440.24	8.38	-34.13
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293437	0	56	-1.0	-50.59	441.14	6.06	-44.53
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293437	1	56	-1.0	-50.56	441.20	6.09	-44.47
C#CCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293438	0	54	-1.0	-45.88	441.47	5.40	-40.48
C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293438	1	54	-1.0	-45.89	441.52	5.41	-40.48
C#CCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293439	0	51	-1.0	-50.59	420.32	4.60	-45.99
C#CCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293439	1	51	-1.0	-50.60	420.39	4.62	-45.98
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293440	0	53	-1.0	-43.21	413.42	7.63	-35.58
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293440	1	53	-1.0	-43.16	413.48	7.64	-35.52
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293441	0	50	-1.0	-42.45	398.76	7.64	-34.81
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293441	1	50	-1.0	-42.50	398.70	7.62	-34.88
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020293442	0	52	-1.0	-41.85	399.83	5.41	-36.44
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020293442	1	52	-1.0	-41.78	399.89	5.43	-36.35
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020293443	0	55	-1.0	-44.27	442.97	7.79	-36.48
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020293443	1	55	-1.0	-44.26	443.03	7.81	-36.45
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC1(C)C	REAL300020293444	0	52	-1.0	-47.59	421.48	7.01	-40.58
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC1(C)C	REAL300020293444	1	52	-1.0	-47.65	421.53	7.04	-40.61
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020293445	0	54	-1.0	-43.30	409.30	4.19	-39.11
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC1C(CO)C2	REAL300020293445	1	54	-1.0	-43.30	409.36	4.21	-39.09
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020293446	0	53	-1.0	-42.44	405.07	8.02	-34.42
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020293446	1	53	-1.0	-42.42	405.13	8.03	-34.39
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020293447	0	50	-1.0	-49.78	389.12	7.40	-42.38
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020293447	1	50	-1.0	-49.81	389.17	7.43	-42.38
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020293448	0	51	-1.0	-49.68	412.09	3.77	-45.91
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020293448	1	51	-1.0	-49.75	412.14	3.79	-45.96
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020293449	0	48	-1.0	-46.99	385.65	3.03	-43.96
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020293449	1	48	-1.0	-46.97	385.71	3.04	-43.93
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293450	0	53	-1.0	-45.78	422.54	7.16	-38.62
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293450	1	53	-1.0	-45.78	422.59	7.17	-38.61
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293451	0	50	-1.0	-42.75	397.47	7.58	-35.17
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293451	1	50	-1.0	-42.72	397.41	7.55	-35.17
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020293452	0	53	-1.0	-53.01	431.43	5.31	-47.70
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCCC1	REAL300020293452	1	53	-1.0	-53.05	431.49	5.34	-47.71
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020293453	0	52	-1.0	-46.38	419.73	7.03	-39.35
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020293453	1	52	-1.0	-46.41	419.79	7.05	-39.36
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)CC1	REAL300020293454	0	49	-1.0	-50.83	398.24	6.25	-44.58
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)CC1	REAL300020293454	1	49	-1.0	-50.91	398.30	6.27	-44.64
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293455	0	55	-1.0	-42.23	430.93	7.90	-34.33
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293455	1	55	-1.0	-42.20	430.88	7.89	-34.31
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293456	0	55	-1.0	-42.04	431.30	7.95	-34.09
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293456	1	55	-1.0	-42.07	431.24	7.94	-34.13
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020293457	0	56	-1.0	-43.64	432.10	8.48	-35.16
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020293457	1	56	-1.0	-43.62	432.16	8.49	-35.13
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020293458	0	53	-1.0	-49.39	403.54	6.93	-42.46
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020293458	1	53	-1.0	-49.35	403.60	6.95	-42.40
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293459	0	56	-1.0	-49.30	445.71	8.27	-41.03
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293459	1	56	-1.0	-49.31	445.76	8.29	-41.02
COCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293460	0	54	-1.0	-49.55	432.95	4.12	-45.43
COCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293460	1	54	-1.0	-49.56	433.01	4.14	-45.42
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020293461	0	51	-1.0	-53.56	421.01	1.59	-51.97
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020293461	1	51	-1.0	-53.49	421.06	1.62	-51.87
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020293462	0	53	-1.0	-52.16	419.40	10.49	-41.67
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020293462	1	53	-1.0	-52.14	419.34	10.46	-41.68
CC1CC(F)(F)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293463	0	52	-1.0	-44.73	408.34	5.76	-38.97
CC1CC(F)(F)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293463	1	52	-1.0	-44.79	408.40	5.77	-39.02
CC1CC(F)(F)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293464	0	49	-1.0	-42.72	394.44	5.37	-37.35
CC1CC(F)(F)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293464	1	49	-1.0	-42.71	394.50	5.39	-37.32
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020293465	0	51	-1.0	-50.90	413.08	5.07	-45.83
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020293465	1	51	-1.0	-50.89	413.02	5.04	-45.85
CCON1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293466	0	55	-1.0	-44.21	445.12	5.14	-39.07
CCON1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293466	1	55	-1.0	-44.25	445.18	5.16	-39.09
CCON1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293467	0	52	-1.0	-48.27	424.00	4.36	-43.91
CCON1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293467	1	52	-1.0	-48.28	424.06	4.39	-43.89
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020293468	0	55	-1.0	-45.49	439.87	7.82	-37.67
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020293468	1	55	-1.0	-45.45	439.93	7.83	-37.62
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020293469	0	52	-1.0	-49.79	418.12	7.01	-42.78
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020293469	1	52	-1.0	-49.76	418.18	7.04	-42.72
CCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293470	0	54	-1.0	-50.31	435.95	4.29	-46.02
CCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293470	1	54	-1.0	-50.33	436.00	4.31	-46.02
CSC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293471	0	53	-1.0	-42.80	430.84	7.53	-35.27
CSC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293471	1	53	-1.0	-42.82	430.89	7.54	-35.28
CSC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293472	0	50	-1.0	-49.76	410.01	6.78	-42.98
CSC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293472	1	50	-1.0	-49.85	410.06	6.81	-43.04
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020293473	0	53	-1.0	-48.44	434.86	3.14	-45.30
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020293473	1	53	-1.0	-48.46	434.91	3.15	-45.31
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020293474	0	50	-1.0	-54.08	410.78	2.28	-51.80
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020293474	1	50	-1.0	-54.09	410.83	2.31	-51.78
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020293475	0	53	-1.0	-60.56	408.68	4.04	-56.52
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020293475	1	53	-1.0	-60.63	408.74	4.06	-56.57
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020293476	0	53	-1.0	-51.23	416.76	7.08	-44.15
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020293476	1	53	-1.0	-51.23	416.82	7.10	-44.13
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020293477	0	50	-1.0	-43.53	395.59	6.55	-36.98
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020293477	1	50	-1.0	-43.52	395.66	6.55	-36.97
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=C1	REAL300020293478	0	53	-1.0	-48.76	436.63	6.57	-42.19
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=C1	REAL300020293478	1	53	-1.0	-48.81	436.69	6.59	-42.22
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020293479	0	51	-1.0	-44.12	401.65	5.65	-38.47
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020293479	1	51	-1.0	-44.13	401.71	5.66	-38.47
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020293480	0	48	-1.0	-42.32	379.50	5.06	-37.26
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020293480	1	48	-1.0	-42.29	379.56	5.08	-37.21
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020293481	0	53	-1.0	-44.64	428.81	5.56	-39.08
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020293481	1	53	-1.0	-44.65	428.87	5.58	-39.07
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020293482	0	50	-1.0	-49.91	411.04	4.91	-45.00
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020293482	1	50	-1.0	-49.94	411.09	4.94	-45.00
COC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293483	0	56	-1.0	-45.43	443.35	5.31	-40.12
COC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293483	1	56	-1.0	-45.46	443.41	5.32	-40.14
COC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293484	0	53	-1.0	-50.73	422.30	4.53	-46.20
COC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293484	1	53	-1.0	-50.75	422.35	4.55	-46.20
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCS1(=O)=O	REAL300020293485	0	49	-1.0	-46.64	406.82	2.59	-44.05
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCS1(=O)=O	REAL300020293485	1	49	-1.0	-46.63	406.88	2.61	-44.02
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020293486	0	53	-1.0	-48.59	431.17	4.61	-43.98
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020293486	1	53	-1.0	-48.59	431.24	4.63	-43.96
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCC(=O)N(C)C)C2	REAL300020293487	0	51	-1.0	-53.08	420.63	6.22	-46.86
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCC(=O)N(C)C)C2	REAL300020293487	1	51	-1.0	-53.07	420.57	6.19	-46.88
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020293488	0	46	-1.0	-49.67	382.75	6.37	-43.30
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020293488	1	46	-1.0	-49.70	382.69	6.36	-43.34
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020293489	0	43	-1.0	-54.93	366.07	5.75	-49.18
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020293489	1	43	-1.0	-54.95	366.02	5.72	-49.23
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020293490	0	54	-1.0	-43.91	411.33	7.41	-36.50
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020293490	1	54	-1.0	-43.92	411.39	7.43	-36.49
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020293491	0	51	-1.0	-42.12	392.35	7.62	-34.50
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020293491	1	51	-1.0	-42.09	392.40	7.64	-34.45
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020293492	0	51	-1.0	-48.40	415.40	7.29	-41.11
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020293492	1	51	-1.0	-48.43	415.46	7.32	-41.11
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020293493	0	56	0.0	-72.65	434.80	6.97	-65.68
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020293493	1	56	0.0	-72.61	430.40	6.77	-65.84
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020293493	1	56	0.0	-72.59	434.86	6.99	-65.60
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020293493	1	56	0.0	-72.64	430.46	6.79	-65.85
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020293494	0	52	-1.0	-53.48	426.63	4.33	-49.15
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020293494	1	52	-1.0	-53.47	426.69	4.36	-49.11
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[N@@H+]1C	REAL300020293495	0	58	0.0	-64.68	434.93	7.38	-57.30
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[N@H+]1C	REAL300020293495	1	58	0.0	-62.97	431.46	6.87	-56.10
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[N@@H+]1C	REAL300020293495	1	58	0.0	-64.71	434.98	7.39	-57.32
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[N@H+]1C	REAL300020293495	1	58	0.0	-62.97	431.53	6.90	-56.07
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020293496	0	50	-1.0	-51.41	421.20	4.63	-46.78
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020293496	1	50	-1.0	-51.40	421.26	4.64	-46.76
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020293497	0	47	-1.0	-48.35	396.69	4.05	-44.30
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020293497	1	47	-1.0	-48.34	396.75	4.07	-44.27
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020293498	0	49	-1.0	-47.38	414.68	8.51	-38.87
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020293498	1	49	-1.0	-47.32	414.62	8.50	-38.82
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020293499	0	46	-1.0	-51.06	393.15	7.73	-43.33
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020293499	1	46	-1.0	-51.06	393.09	7.70	-43.36
CC1CC(CO)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293500	0	56	-1.0	-45.49	430.87	4.00	-41.49
CC1CC(CO)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293500	1	56	-1.0	-45.47	430.92	4.02	-41.45
CC1CC(CO)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293501	0	53	-1.0	-50.33	407.45	3.55	-46.78
CC1CC(CO)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293501	1	53	-1.0	-50.36	407.50	3.57	-46.79
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCC(=O)N(C)C)C2	REAL300020293502	0	51	-1.0	-53.08	420.63	6.22	-46.86
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCC(=O)N(C)C)C2	REAL300020293502	1	51	-1.0	-53.07	420.57	6.19	-46.88
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293503	0	53	-1.0	-46.55	416.37	10.68	-35.87
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293503	1	53	-1.0	-46.57	416.42	10.69	-35.88
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293504	0	50	-1.0	-46.10	395.30	10.18	-35.92
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293504	1	50	-1.0	-46.09	395.25	10.15	-35.94
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCS1	REAL300020293505	0	50	-1.0	-42.68	394.80	6.16	-36.52
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCS1	REAL300020293505	1	50	-1.0	-42.71	394.86	6.17	-36.54
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCS1	REAL300020293506	0	47	-1.0	-40.50	388.34	6.27	-34.23
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCS1	REAL300020293506	1	47	-1.0	-40.48	388.39	6.30	-34.18
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020293507	0	52	-1.0	-45.77	420.52	5.18	-40.59
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020293507	1	52	-1.0	-45.74	420.58	5.19	-40.55
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020293508	0	49	-1.0	-42.90	393.79	4.51	-38.39
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020293508	1	49	-1.0	-42.90	393.85	4.52	-38.38
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C=CC1C2	REAL300020293509	0	48	-1.0	-44.71	379.02	6.30	-38.41
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C=CC1C2	REAL300020293509	1	48	-1.0	-44.71	379.07	6.31	-38.40
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C=CC1C2	REAL300020293510	0	45	-1.0	-50.85	363.10	5.54	-45.31
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C=CC1C2	REAL300020293510	1	45	-1.0	-50.87	363.04	5.51	-45.36
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293511	0	54	-1.0	-43.59	428.24	7.94	-35.65
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293511	1	54	-1.0	-43.57	428.29	7.95	-35.62
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293512	0	51	-1.0	-40.91	400.62	7.87	-33.04
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293512	1	51	-1.0	-40.93	400.68	7.89	-33.04
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020293513	0	48	-1.0	-45.39	414.46	5.88	-39.51
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020293513	1	48	-1.0	-45.39	414.52	5.90	-39.49
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020293514	0	45	-1.0	-49.61	392.87	5.13	-44.48
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020293514	1	45	-1.0	-49.61	392.93	5.15	-44.46
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020293515	0	49	-1.0	-43.08	390.70	6.32	-36.76
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020293515	1	49	-1.0	-43.09	390.76	6.33	-36.76
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020293516	0	46	-1.0	-42.75	373.40	5.71	-37.04
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020293516	1	46	-1.0	-42.72	373.45	5.73	-36.99
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020293517	0	52	-1.0	-44.07	418.96	7.31	-36.76
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020293517	1	52	-1.0	-44.10	419.02	7.32	-36.78
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020293518	0	49	-1.0	-51.94	398.09	6.35	-45.59
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020293518	1	49	-1.0	-51.96	398.15	6.38	-45.58
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020293519	0	49	-1.0	-44.07	396.50	6.59	-37.48
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020293519	1	49	-1.0	-44.04	396.56	6.61	-37.43
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020293520	0	46	-1.0	-47.91	378.27	5.71	-42.20
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020293520	1	46	-1.0	-47.91	378.33	5.74	-42.17
COC1COCCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293521	0	54	-1.0	-42.56	411.02	3.46	-39.10
COC1COCCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293521	1	54	-1.0	-42.60	411.09	3.46	-39.14
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020293522	0	58	0.0	-67.41	440.62	7.34	-60.07
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020293522	1	58	0.0	-66.52	420.26	6.71	-59.81
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020293522	1	57	-1.0	-45.05	435.92	5.18	-39.87
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020293522	1	57	-1.0	-45.08	435.98	5.19	-39.89
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020293523	0	55	0.0	-69.36	418.62	6.52	-62.84
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020293523	1	55	0.0	-69.61	416.32	6.67	-62.94
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020293523	1	55	0.0	-69.34	418.68	6.55	-62.79
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020293523	1	55	0.0	-69.63	416.38	6.70	-62.93
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020293524	0	50	-1.0	-47.63	405.90	2.99	-44.64
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020293524	1	50	-1.0	-47.64	405.96	3.00	-44.64
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020293525	0	47	-1.0	-50.68	384.40	2.23	-48.45
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020293525	1	47	-1.0	-50.67	384.34	2.20	-48.47
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020293526	0	51	-1.0	-45.79	397.71	4.56	-41.23
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020293526	1	51	-1.0	-45.80	397.77	4.58	-41.22
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020293527	0	48	-1.0	-50.39	376.26	3.78	-46.61
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020293527	1	48	-1.0	-50.38	376.31	3.80	-46.58
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC2=CC=CC=C21	REAL300020293528	0	53	-1.0	-49.24	411.82	7.71	-41.53
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC2=CC=CC=C21	REAL300020293528	1	53	-1.0	-49.19	411.76	7.68	-41.51
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020293529	0	50	-1.0	-46.66	413.67	4.82	-41.84
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020293529	1	50	-1.0	-46.67	413.72	4.84	-41.83
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020293530	0	47	-1.0	-49.76	395.89	4.18	-45.58
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020293530	1	47	-1.0	-49.74	395.95	4.20	-45.54
CC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293531	0	54	-1.0	-45.94	432.76	6.95	-38.99
CC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293531	1	54	-1.0	-45.94	432.82	6.96	-38.98
CC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293532	0	51	-1.0	-55.25	413.34	6.22	-49.03
CC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293532	1	51	-1.0	-55.26	413.39	6.24	-49.02
CC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293533	0	54	-1.0	-50.70	436.09	7.02	-43.68
CC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293533	1	54	-1.0	-50.70	436.15	7.04	-43.66
CC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293534	0	51	-1.0	-55.82	411.77	6.17	-49.65
CC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293534	1	51	-1.0	-55.82	411.83	6.20	-49.62
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020293535	0	56	-1.0	-48.83	434.08	4.26	-44.57
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020293535	1	56	-1.0	-48.81	434.14	4.28	-44.53
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C(C)(C)C	REAL300020293536	0	60	-1.0	-43.02	443.96	9.75	-33.27
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C(C)(C)C	REAL300020293536	1	60	-1.0	-43.04	444.02	9.77	-33.27
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C(C)(C)C	REAL300020293537	0	57	-1.0	-46.79	428.92	9.13	-37.66
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C(C)(C)C	REAL300020293537	1	57	-1.0	-46.76	428.96	9.16	-37.60
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020293538	0	54	-1.0	-45.82	434.66	2.08	-43.74
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020293538	1	54	-1.0	-45.82	434.72	2.09	-43.73
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020293539	0	51	-1.0	-51.73	416.65	1.42	-50.31
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020293539	1	51	-1.0	-51.76	416.71	1.43	-50.33
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020293540	0	54	-1.0	-50.54	420.48	1.55	-48.99
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020293540	1	54	-1.0	-50.54	420.54	1.57	-48.97
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020293541	0	51	-1.0	-46.87	410.37	6.74	-40.13
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020293541	1	51	-1.0	-46.88	410.42	6.76	-40.12
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020293542	0	48	-1.0	-52.62	388.23	6.57	-46.05
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020293542	1	48	-1.0	-52.59	388.16	6.54	-46.05
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020293543	0	50	-1.0	-46.77	409.85	6.55	-40.22
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020293543	1	50	-1.0	-46.77	409.91	6.57	-40.20
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020293544	0	47	-1.0	-52.43	392.35	5.90	-46.53
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020293544	1	47	-1.0	-52.39	392.41	5.93	-46.46
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020293545	0	54	-1.0	-43.81	424.48	5.74	-38.07
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020293545	1	54	-1.0	-43.87	424.52	5.75	-38.12
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293546	0	51	-1.0	-51.91	413.62	2.67	-49.24
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293546	1	51	-1.0	-51.92	413.67	2.70	-49.22
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020293547	0	51	-1.0	-44.47	400.78	5.03	-39.44
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020293547	1	51	-1.0	-44.44	400.84	5.05	-39.39
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020293548	0	48	-1.0	-53.92	380.59	4.24	-49.68
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020293548	1	48	-1.0	-53.95	380.65	4.27	-49.68
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020293549	0	53	-1.0	-46.88	423.93	7.41	-39.47
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020293549	1	53	-1.0	-46.89	423.99	7.43	-39.46
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020293550	0	50	-1.0	-51.65	397.28	6.65	-45.00
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020293550	1	50	-1.0	-51.69	397.34	6.67	-45.02
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020293551	0	51	-1.0	-44.78	411.40	6.97	-37.81
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020293551	1	51	-1.0	-44.83	411.46	6.99	-37.84
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020293552	0	48	-1.0	-48.48	389.91	6.19	-42.29
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020293552	1	48	-1.0	-48.50	389.96	6.21	-42.29
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020293553	0	52	-1.0	-48.37	425.92	6.90	-41.47
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020293553	1	52	-1.0	-48.32	425.98	6.92	-41.40
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020293554	0	49	-1.0	-44.54	381.83	6.54	-38.00
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020293554	1	49	-1.0	-44.54	381.89	6.56	-37.98
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293555	0	53	-1.0	-43.20	422.16	5.48	-37.72
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293555	1	53	-1.0	-43.25	422.22	5.49	-37.76
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293556	0	50	-1.0	-49.71	401.30	4.75	-44.96
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293556	1	50	-1.0	-49.75	401.36	4.78	-44.97
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020293557	0	49	-1.0	-51.52	402.22	4.15	-47.37
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020293557	1	49	-1.0	-51.51	402.16	4.12	-47.39
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293558	0	58	-1.0	-42.69	434.04	7.77	-34.92
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293558	1	58	-1.0	-42.71	434.10	7.79	-34.92
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293559	0	55	-1.0	-49.35	418.33	7.17	-42.18
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293559	1	55	-1.0	-49.36	418.38	7.19	-42.17
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293560	0	54	-1.0	-50.14	430.74	4.51	-45.63
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293560	1	54	-1.0	-50.18	430.80	4.53	-45.65
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCF	REAL300020293561	0	48	-1.0	-44.92	391.05	6.11	-38.81
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCF	REAL300020293561	1	48	-1.0	-44.92	391.10	6.13	-38.79
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCF	REAL300020293562	0	45	-1.0	-48.64	375.92	5.22	-43.42
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCF	REAL300020293562	1	45	-1.0	-48.65	375.97	5.25	-43.40
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020293563	0	53	-1.0	-46.70	423.81	8.51	-38.19
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020293563	1	53	-1.0	-46.71	423.75	8.50	-38.21
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020293564	0	50	-1.0	-43.60	399.60	6.91	-36.69
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020293564	1	50	-1.0	-43.63	399.66	6.94	-36.69
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020293565	0	49	-1.0	-54.27	414.76	4.08	-50.19
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020293565	1	49	-1.0	-54.26	414.83	4.10	-50.16
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020293566	0	53	-1.0	-49.93	432.46	8.52	-41.41
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020293566	1	53	-1.0	-49.89	432.40	8.50	-41.39
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020293567	0	50	-1.0	-47.27	406.28	7.84	-39.43
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020293567	1	50	-1.0	-47.27	406.23	7.83	-39.44
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020293568	0	56	-1.0	-43.22	417.84	8.73	-34.49
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020293568	1	56	-1.0	-43.19	417.90	8.74	-34.45
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020293569	0	53	-1.0	-50.54	402.17	8.12	-42.42
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020293569	1	53	-1.0	-50.58	402.23	8.15	-42.43
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020293570	0	56	0.0	-64.33	419.61	7.17	-57.16
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020293570	1	56	0.0	-67.18	422.61	6.74	-60.44
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020293570	1	56	0.0	-64.33	419.66	7.19	-57.14
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020293570	1	56	0.0	-67.19	422.67	6.76	-60.43
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293571	0	55	-1.0	-41.72	428.95	8.11	-33.61
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293571	1	55	-1.0	-41.72	428.90	8.09	-33.63
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020293572	0	50	-1.0	-43.67	388.10	6.68	-36.99
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020293572	1	50	-1.0	-43.62	388.16	6.69	-36.93
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020293573	0	47	-1.0	-41.90	366.12	6.24	-35.66
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020293573	1	47	-1.0	-41.88	366.17	6.27	-35.61
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020293574	0	55	-1.0	-50.46	418.08	7.56	-42.90
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020293574	1	55	-1.0	-50.45	418.14	7.59	-42.86
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020293575	0	57	-1.0	-42.80	418.16	7.85	-34.95
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020293575	1	57	-1.0	-42.80	418.22	7.88	-34.92
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020293576	0	52	-1.0	-51.15	413.52	4.40	-46.75
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020293576	1	52	-1.0	-51.15	413.57	4.43	-46.72
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020293577	0	49	-1.0	-52.49	399.80	4.25	-48.24
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020293577	1	49	-1.0	-52.51	399.85	4.27	-48.24
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293578	0	52	-1.0	-44.83	414.00	6.42	-38.41
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293578	1	52	-1.0	-44.83	414.05	6.44	-38.39
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020293579	0	51	-1.0	-49.29	397.90	2.03	-47.26
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020293579	1	51	-1.0	-49.26	397.96	2.07	-47.19
CSCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293580	0	53	-1.0	-42.98	431.59	7.44	-35.54
CSCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293580	1	53	-1.0	-42.94	431.66	7.45	-35.49
CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293581	0	53	-1.0	-45.61	427.89	5.70	-39.91
CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293581	1	53	-1.0	-45.52	427.95	5.71	-39.81
CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293582	0	50	-1.0	-41.21	387.15	4.38	-36.83
CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293582	1	50	-1.0	-41.22	387.22	4.39	-36.83
CCN(CCC(=O)NC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293583	0	55	-1.0	-53.97	438.87	3.27	-50.70
CCN(CCC(=O)NC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293583	1	55	-1.0	-53.96	438.93	3.29	-50.67
CCN(CCC(=O)NC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293584	0	52	-1.0	-59.34	416.95	2.49	-56.85
CCN(CCC(=O)NC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293584	1	52	-1.0	-59.35	417.01	2.52	-56.83
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020293585	0	53	-1.0	-50.41	425.18	7.84	-42.57
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020293585	1	53	-1.0	-50.42	425.23	7.86	-42.56
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020293586	0	47	-1.0	-50.59	393.05	6.71	-43.88
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020293586	1	47	-1.0	-50.55	393.01	6.69	-43.86
C#CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293587	0	53	-1.0	-45.24	433.20	7.49	-37.75
C#CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293587	1	53	-1.0	-45.23	433.25	7.51	-37.72
C#CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293588	0	50	-1.0	-47.85	411.75	7.25	-40.60
C#CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293588	1	50	-1.0	-47.85	411.70	7.22	-40.63
C=CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293589	0	56	-1.0	-43.53	433.26	7.69	-35.84
C=CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293589	1	56	-1.0	-43.53	433.32	7.70	-35.83
C=CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293590	0	53	-1.0	-48.93	416.99	7.05	-41.88
C=CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293590	1	53	-1.0	-48.91	417.04	7.08	-41.83
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020293591	0	50	-1.0	-43.20	370.98	5.44	-37.76
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020293591	1	50	-1.0	-43.25	371.04	5.45	-37.80
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCC(=O)N(C)C)C2	REAL300020293592	0	56	-1.0	-44.00	435.00	8.04	-35.96
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCC(=O)N(C)C)C2	REAL300020293592	1	56	-1.0	-44.00	435.05	8.05	-35.95
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCC(=O)N(C)C)C2	REAL300020293593	0	53	-1.0	-42.02	416.23	7.46	-34.56
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCC(=O)N(C)C)C2	REAL300020293593	1	53	-1.0	-42.04	416.29	7.48	-34.56
C#CCN(CCO)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293594	0	48	-1.0	-49.08	402.62	2.40	-46.68
C#CCN(CCO)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293594	1	48	-1.0	-49.07	402.68	2.41	-46.66
C#CCN(CCO)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293595	0	45	-1.0	-51.16	379.41	1.86	-49.30
C#CCN(CCO)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293595	1	45	-1.0	-51.17	379.35	1.84	-49.33
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020293596	0	53	-1.0	-46.41	408.79	7.58	-38.83
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020293596	1	53	-1.0	-46.39	408.85	7.59	-38.80
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020293597	0	50	-1.0	-42.55	381.26	6.89	-35.66
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020293597	1	50	-1.0	-42.51	381.32	6.91	-35.60
CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293598	0	55	-1.0	-43.66	425.22	6.65	-37.01
CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293598	1	55	-1.0	-43.68	425.28	6.67	-37.01
CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293599	0	52	-1.0	-49.81	409.47	6.05	-43.76
CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293599	1	52	-1.0	-49.86	409.52	6.07	-43.79
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020293600	0	54	-1.0	-51.73	425.74	5.71	-46.02
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020293600	1	54	-1.0	-51.76	425.79	5.73	-46.03
C#CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293601	0	52	-1.0	-50.14	432.19	6.14	-44.00
C#CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293601	1	52	-1.0	-50.21	432.25	6.17	-44.04
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020293602	0	53	-1.0	-51.54	415.47	3.35	-48.19
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020293602	1	53	-1.0	-51.56	415.53	3.37	-48.19
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020293603	0	50	-1.0	-48.56	394.06	2.75	-45.81
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020293603	1	50	-1.0	-48.57	394.11	2.76	-45.81
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020293604	0	51	-1.0	-44.46	401.98	8.47	-35.99
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020293604	1	51	-1.0	-44.45	402.03	8.48	-35.97
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@@H]1F	REAL300020293605	0	53	-1.0	-44.53	427.44	5.40	-39.13
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@@H]1F	REAL300020293605	1	53	-1.0	-44.60	427.50	5.41	-39.19
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@@H]1F	REAL300020293606	0	50	-1.0	-51.63	406.45	4.84	-46.79
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@@H]1F	REAL300020293606	1	50	-1.0	-51.61	406.51	4.86	-46.75
COC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293607	0	52	-1.0	-44.42	420.07	6.29	-38.13
COC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293607	1	52	-1.0	-44.48	420.13	6.32	-38.16
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCC(=O)N(C)C)C2=C1	REAL300020293608	0	51	-1.0	-50.32	404.29	8.85	-41.47
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCC(=O)N(C)C)C2=C1	REAL300020293608	1	51	-1.0	-50.32	404.23	8.82	-41.50
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020293609	0	58	0.0	-65.38	437.28	7.14	-58.24
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020293609	1	58	0.0	-60.37	433.55	7.22	-53.15
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020293609	1	58	0.0	-65.41	437.34	7.17	-58.24
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020293609	1	58	0.0	-60.36	433.62	7.24	-53.12
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020293610	0	50	-1.0	-42.82	402.74	6.81	-36.01
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020293610	1	50	-1.0	-42.81	402.80	6.82	-35.99
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020293611	0	47	-1.0	-48.83	384.51	6.13	-42.70
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020293611	1	47	-1.0	-48.82	384.56	6.15	-42.67
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020293612	0	56	-1.0	-48.44	422.56	7.95	-40.49
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020293612	1	56	-1.0	-48.44	422.62	7.97	-40.47
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCC(=O)N(C)C)CC2=C1	REAL300020293613	0	53	-1.0	-45.99	434.54	6.04	-39.95
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCC(=O)N(C)C)CC2=C1	REAL300020293613	1	53	-1.0	-46.04	434.60	6.06	-39.98
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCC(=O)N(C)C)CC2=C1	REAL300020293614	0	50	-1.0	-50.33	406.60	5.38	-44.95
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCC(=O)N(C)C)CC2=C1	REAL300020293614	1	50	-1.0	-50.36	406.66	5.40	-44.96
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CCCC1	REAL300020293615	0	57	-1.0	-45.15	450.14	8.06	-37.09
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CCCC1	REAL300020293615	1	57	-1.0	-45.17	450.19	8.08	-37.09
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CCCC1	REAL300020293616	0	54	-1.0	-50.86	431.68	7.69	-43.17
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CCCC1	REAL300020293616	1	54	-1.0	-50.89	431.74	7.71	-43.18
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020293617	0	50	-1.0	-43.39	390.94	6.65	-36.74
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020293617	1	50	-1.0	-43.37	390.99	6.66	-36.71
C=CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293618	0	55	-1.0	-44.20	434.32	7.10	-37.10
C=CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293618	1	55	-1.0	-44.18	434.37	7.11	-37.07
C=CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293619	0	52	-1.0	-49.70	413.63	6.28	-43.42
C=CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293619	1	52	-1.0	-49.70	413.69	6.31	-43.39
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020293620	0	51	-1.0	-41.52	402.85	6.74	-34.78
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020293620	1	51	-1.0	-41.51	402.90	6.77	-34.74
C#CC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293621	0	48	-1.0	-46.54	386.03	6.43	-40.11
C#CC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293621	1	48	-1.0	-46.55	386.08	6.45	-40.10
C#CC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293622	0	45	-1.0	-43.88	364.00	5.92	-37.96
C#CC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293622	1	45	-1.0	-43.87	363.94	5.89	-37.98
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293623	0	53	-1.0	-51.43	416.43	7.58	-43.85
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293623	1	53	-1.0	-51.44	416.36	7.56	-43.88
C#CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293624	0	51	-1.0	-44.81	415.05	6.77	-38.04
C#CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293624	1	51	-1.0	-44.83	415.11	6.79	-38.04
C#CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293625	0	48	-1.0	-42.83	391.43	6.18	-36.65
C#CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293625	1	48	-1.0	-42.85	391.38	6.16	-36.69
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020293626	0	53	-1.0	-47.04	425.08	3.76	-43.28
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020293626	1	53	-1.0	-47.02	425.14	3.78	-43.24
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020293627	0	50	-1.0	-50.22	407.76	3.24	-46.98
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@@H]1CCC(=O)N1	REAL300020293627	1	50	-1.0	-50.26	407.82	3.26	-47.00
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293628	0	53	-1.0	-45.54	416.67	10.98	-34.56
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293628	1	53	-1.0	-45.54	416.61	10.96	-34.58
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020293629	0	53	-1.0	-45.34	408.70	7.18	-38.16
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020293629	1	53	-1.0	-45.35	408.76	7.20	-38.15
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020293630	0	50	-1.0	-48.90	389.15	6.49	-42.41
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020293630	1	50	-1.0	-48.93	389.21	6.52	-42.41
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293631	0	47	-1.0	-44.00	382.39	6.09	-37.91
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293631	1	47	-1.0	-44.00	382.45	6.11	-37.89
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293632	0	44	-1.0	-41.73	355.15	5.43	-36.30
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293632	1	44	-1.0	-41.69	355.08	5.40	-36.29
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCC(=O)N(C)C)C1	REAL300020293633	0	51	-1.0	-44.66	399.90	7.38	-37.28
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCC(=O)N(C)C)C1	REAL300020293633	1	51	-1.0	-44.58	399.94	7.36	-37.22
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020293634	0	52	-1.0	-56.03	419.08	0.06	-55.97
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020293634	1	52	-1.0	-56.07	419.13	0.08	-55.99
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020293635	0	52	-1.0	-41.51	397.29	4.98	-36.53
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020293635	1	52	-1.0	-41.53	397.35	5.00	-36.53
C=CCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293636	0	52	-1.0	-45.06	424.19	6.52	-38.54
C=CCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293636	1	52	-1.0	-45.01	424.25	6.53	-38.48
C=CCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293637	0	49	-1.0	-47.70	399.36	6.54	-41.16
C=CCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293637	1	49	-1.0	-47.70	399.30	6.51	-41.19
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020293638	0	52	-1.0	-47.60	432.96	5.75	-41.85
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020293638	1	52	-1.0	-47.64	433.01	5.76	-41.88
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020293639	0	49	-1.0	-51.70	411.14	4.99	-46.71
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020293639	1	49	-1.0	-51.68	411.08	4.96	-46.72
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020293640	0	52	-1.0	-51.45	401.41	6.56	-44.89
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020293640	1	52	-1.0	-51.44	401.46	6.58	-44.86
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020293641	0	53	-1.0	-43.76	415.64	4.31	-39.45
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020293641	1	53	-1.0	-43.76	415.69	4.32	-39.44
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020293642	0	50	-1.0	-41.37	386.48	4.32	-37.05
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020293642	1	50	-1.0	-41.35	386.56	4.31	-37.04
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020293643	0	52	-1.0	-53.20	403.71	3.68	-49.52
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020293643	1	52	-1.0	-53.21	403.76	3.70	-49.51
CC1CCC(F)(F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293644	0	52	-1.0	-44.37	424.37	6.38	-37.99
CC1CCC(F)(F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293644	1	52	-1.0	-44.36	424.43	6.39	-37.97
CC1CCC(F)(F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293645	0	49	-1.0	-42.57	395.41	5.55	-37.02
CC1CCC(F)(F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293645	1	49	-1.0	-42.61	395.46	5.56	-37.05
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020293646	0	54	-1.0	-47.02	418.79	5.62	-41.40
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020293646	1	54	-1.0	-47.06	418.84	5.63	-41.43
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020293647	0	51	-1.0	-44.49	394.84	5.11	-39.38
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020293647	1	51	-1.0	-44.51	394.89	5.14	-39.37
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020293648	0	56	-1.0	-43.70	428.30	6.27	-37.43
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020293648	1	56	-1.0	-43.65	428.36	6.28	-37.37
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020293649	0	53	-1.0	-49.87	388.05	4.00	-45.87
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020293649	1	53	-1.0	-49.86	388.11	4.02	-45.84
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020293650	0	54	-1.0	-45.02	422.25	5.54	-39.48
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020293650	1	54	-1.0	-45.01	422.31	5.55	-39.46
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020293651	0	51	-1.0	-42.89	399.36	4.82	-38.07
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020293651	1	51	-1.0	-42.90	399.41	4.85	-38.05
C=CCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293652	0	55	-1.0	-44.48	439.24	8.08	-36.40
C=CCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293652	1	55	-1.0	-44.49	439.29	8.09	-36.40
C=CCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293653	0	52	-1.0	-48.26	425.52	7.21	-41.05
C=CCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293653	1	52	-1.0	-48.22	425.58	7.24	-40.98
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020293654	0	49	-1.0	-44.66	409.57	6.65	-38.01
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020293654	1	49	-1.0	-44.65	409.63	6.67	-37.98
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020293655	0	46	-1.0	-48.13	387.64	5.87	-42.26
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020293655	1	46	-1.0	-48.13	387.69	5.89	-42.24
COC1CCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293656	0	53	-1.0	-43.72	418.74	5.37	-38.35
COC1CCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293656	1	53	-1.0	-43.75	418.80	5.39	-38.36
COC1CCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293657	0	50	-1.0	-41.89	388.88	4.64	-37.25
COC1CCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293657	1	50	-1.0	-41.88	388.92	4.65	-37.23
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293658	0	54	-1.0	-45.12	427.90	5.84	-39.28
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293658	1	54	-1.0	-45.13	427.96	5.85	-39.28
C=CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293659	0	51	-1.0	-51.09	410.96	5.20	-45.89
C=CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293659	1	51	-1.0	-51.08	411.01	5.22	-45.86
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293660	0	54	-1.0	-46.08	440.73	8.23	-37.85
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293660	1	54	-1.0	-46.13	440.79	8.24	-37.89
C#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293661	0	51	-1.0	-50.96	418.97	7.42	-43.54
C#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293661	1	51	-1.0	-51.01	419.03	7.45	-43.56
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[C@H]1C	REAL300020293662	0	56	-1.0	-44.63	445.89	6.05	-38.58
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[C@H]1C	REAL300020293662	1	56	-1.0	-44.68	445.94	6.07	-38.61
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[C@H]1C	REAL300020293663	0	53	-1.0	-48.43	423.95	5.27	-43.16
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[C@H]1C	REAL300020293663	1	53	-1.0	-48.40	424.01	5.30	-43.10
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020293664	0	53	-1.0	-43.98	420.16	3.92	-40.06
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020293664	1	53	-1.0	-43.96	420.21	3.94	-40.02
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020293665	0	50	-1.0	-47.87	409.73	3.17	-44.70
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC(C)(C)C1	REAL300020293665	1	50	-1.0	-47.92	409.79	3.20	-44.72
CC(C)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293666	0	57	-1.0	-44.56	444.78	8.02	-36.54
CC(C)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293666	1	57	-1.0	-44.57	444.84	8.04	-36.53
CC(C)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293667	0	54	-1.0	-47.98	430.69	7.14	-40.84
CC(C)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293667	1	54	-1.0	-47.98	430.74	7.16	-40.82
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020293668	0	52	-1.0	-48.45	418.57	7.64	-40.81
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020293668	1	52	-1.0	-48.46	418.62	7.66	-40.80
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CN=C1	REAL300020293669	0	49	-1.0	-52.14	409.69	6.91	-45.23
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CN=C1	REAL300020293669	1	49	-1.0	-52.18	409.75	6.94	-45.24
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020293670	0	53	-1.0	-50.48	424.94	7.81	-42.67
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020293670	1	53	-1.0	-50.53	425.00	7.83	-42.70
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020293671	0	52	-1.0	-47.14	429.83	7.14	-40.00
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020293671	1	52	-1.0	-47.09	429.89	7.15	-39.94
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020293672	0	49	-1.0	-48.43	408.53	6.36	-42.07
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020293672	1	49	-1.0	-48.46	408.59	6.39	-42.07
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C)(C)CO1	REAL300020293673	0	56	-1.0	-40.57	419.30	5.24	-35.33
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C)(C)CO1	REAL300020293673	1	56	-1.0	-40.55	419.35	5.26	-35.29
COCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293674	0	56	-1.0	-51.10	440.56	6.02	-45.08
COCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293674	1	56	-1.0	-51.12	440.62	6.04	-45.08
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293675	0	54	-1.0	-44.08	416.93	6.35	-37.73
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293675	1	54	-1.0	-44.09	416.98	6.36	-37.73
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293676	0	51	-1.0	-42.44	383.45	5.34	-37.10
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293676	1	51	-1.0	-42.43	383.49	5.35	-37.08
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020293677	0	54	-1.0	-41.95	405.67	7.41	-34.54
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020293677	1	54	-1.0	-41.98	405.73	7.42	-34.56
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020293678	0	51	-1.0	-40.47	385.28	6.93	-33.54
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020293678	1	51	-1.0	-40.40	385.37	6.93	-33.47
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020293679	0	52	-1.0	-42.85	412.71	4.05	-38.80
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020293679	1	52	-1.0	-42.87	412.76	4.08	-38.79
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293680	0	58	-1.0	-45.29	434.38	8.17	-37.12
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293680	1	58	-1.0	-45.28	434.44	8.19	-37.09
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293681	0	55	-1.0	-41.88	408.48	7.51	-34.37
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293681	1	55	-1.0	-41.89	408.54	7.53	-34.36
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC12CC2	REAL300020293682	0	54	-1.0	-44.31	425.70	5.75	-38.56
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC12CC2	REAL300020293682	1	54	-1.0	-44.32	425.76	5.76	-38.56
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC12CC2	REAL300020293683	0	51	-1.0	-50.08	408.75	5.13	-44.95
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC12CC2	REAL300020293683	1	51	-1.0	-50.10	408.81	5.15	-44.95
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020293684	0	50	-1.0	-49.30	396.32	5.76	-43.54
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020293684	1	50	-1.0	-49.31	396.38	5.79	-43.52
CC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCC(=O)N(C)C)CCN21	REAL300020293685	0	53	-1.0	-48.55	433.53	7.07	-41.48
CC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCC(=O)N(C)C)CCN21	REAL300020293685	1	53	-1.0	-48.51	433.59	7.09	-41.42
CC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCC(=O)N(C)C)CCN21	REAL300020293686	0	50	-1.0	-55.87	403.69	6.10	-49.77
CC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCC(=O)N(C)C)CCN21	REAL300020293686	1	50	-1.0	-55.91	403.74	6.12	-49.79
CC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCC1(C)C	REAL300020293687	0	55	-1.0	-44.65	416.04	7.14	-37.51
CC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCC1(C)C	REAL300020293687	1	55	-1.0	-44.67	416.10	7.15	-37.52
CC1N(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCC1(C)C	REAL300020293688	0	52	-1.0	-42.97	395.70	6.78	-36.19
CC1N(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCC1(C)C	REAL300020293688	1	52	-1.0	-42.96	395.76	6.80	-36.16
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020293689	0	47	-1.0	-48.68	372.90	1.10	-47.58
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020293689	1	47	-1.0	-48.68	372.96	1.12	-47.56
COCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293690	0	54	-1.0	-50.65	439.14	3.85	-46.80
COCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293690	1	54	-1.0	-50.65	439.20	3.87	-46.78
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020293691	0	51	-1.0	-51.69	410.47	3.93	-47.76
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020293691	1	51	-1.0	-51.71	410.41	3.90	-47.81
CC(C)CC1(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293692	0	58	-1.0	-47.30	449.63	8.36	-38.94
CC(C)CC1(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293692	1	58	-1.0	-47.28	449.69	8.39	-38.89
C=CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293693	0	52	-1.0	-44.43	417.71	7.31	-37.12
C=CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293693	1	52	-1.0	-44.47	417.77	7.32	-37.15
C=CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293694	0	49	-1.0	-48.08	404.67	6.44	-41.64
C=CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293694	1	49	-1.0	-48.09	404.72	6.46	-41.63
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020293695	0	54	-1.0	-43.31	422.92	5.84	-37.47
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020293695	1	54	-1.0	-43.30	422.98	5.85	-37.45
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020293696	0	48	-1.0	-51.70	394.32	5.23	-46.47
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020293696	1	48	-1.0	-51.70	394.37	5.24	-46.46
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020293697	0	45	-1.0	-54.44	372.60	4.46	-49.98
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020293697	1	45	-1.0	-54.44	372.66	4.49	-49.95
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020293698	0	54	-1.0	-44.22	429.50	5.56	-38.66
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020293698	1	54	-1.0	-44.21	429.55	5.58	-38.63
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020293699	0	51	-1.0	-50.31	405.35	4.69	-45.62
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020293699	1	51	-1.0	-50.30	405.40	4.72	-45.58
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@H]1F	REAL300020293700	0	50	-1.0	-44.30	404.25	4.69	-39.61
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@H]1F	REAL300020293700	1	50	-1.0	-44.31	404.31	4.70	-39.61
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@H]1F	REAL300020293701	0	47	-1.0	-48.96	382.77	3.89	-45.07
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@H]1F	REAL300020293701	1	47	-1.0	-48.96	382.83	3.92	-45.04
CCC1CC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293702	0	56	-1.0	-48.94	427.29	7.46	-41.48
CCC1CC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293702	1	56	-1.0	-48.90	427.34	7.49	-41.41
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020293703	0	52	-1.0	-46.43	421.23	7.07	-39.36
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020293703	1	52	-1.0	-46.38	421.28	7.08	-39.30
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020293704	0	49	-1.0	-49.96	403.14	6.41	-43.55
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020293704	1	49	-1.0	-49.98	403.20	6.43	-43.55
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020293705	0	54	-1.0	-42.84	432.29	7.38	-35.46
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020293705	1	54	-1.0	-42.84	432.33	7.40	-35.44
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020293706	0	53	-1.0	-54.14	429.30	3.02	-51.12
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020293706	1	53	-1.0	-54.13	429.35	3.04	-51.09
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020293707	0	50	-1.0	-49.47	402.67	2.51	-46.96
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020293707	1	50	-1.0	-49.51	402.74	2.53	-46.98
CC(CC(N)=O)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293708	0	52	-1.0	-53.15	405.24	2.80	-50.35
CC(CC(N)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293708	1	52	-1.0	-53.14	405.30	2.81	-50.33
CC(CC(N)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293709	0	49	-1.0	-50.30	382.73	2.29	-48.01
CC(CC(N)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293709	1	49	-1.0	-50.32	382.78	2.31	-48.01
CC1=CSC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020293710	0	49	-1.0	-47.48	419.46	7.05	-40.43
CC1=CSC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020293710	1	49	-1.0	-47.50	419.52	7.07	-40.43
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020293711	0	54	-1.0	-50.62	406.33	5.10	-45.52
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020293711	1	54	-1.0	-50.66	406.39	5.13	-45.53
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020293712	0	53	-1.0	-47.91	429.70	8.78	-39.13
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020293712	1	53	-1.0	-47.87	429.64	8.76	-39.11
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020293713	0	53	-1.0	-42.88	418.38	7.50	-35.38
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020293713	1	53	-1.0	-42.90	418.44	7.52	-35.38
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020293714	0	50	-1.0	-50.15	400.80	6.86	-43.29
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020293714	1	50	-1.0	-50.11	400.85	6.88	-43.23
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C2	REAL300020293715	0	47	-1.0	-45.39	377.73	6.20	-39.19
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C2	REAL300020293715	1	47	-1.0	-45.42	377.78	6.21	-39.21
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1C2	REAL300020293716	0	44	-1.0	-50.71	356.30	5.43	-45.28
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1C2	REAL300020293716	1	44	-1.0	-50.69	356.24	5.40	-45.29
CN(C)C(=O)CCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C2	REAL300020293717	0	51	-1.0	-45.06	406.35	8.15	-36.91
CN(C)C(=O)CCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C2	REAL300020293717	1	51	-1.0	-45.06	406.40	8.14	-36.92
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020293718	0	56	-1.0	-45.05	440.72	6.00	-39.05
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020293718	1	56	-1.0	-45.03	440.78	6.01	-39.02
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020293719	0	53	-1.0	-42.87	410.98	5.14	-37.73
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1(C)C	REAL300020293719	1	53	-1.0	-42.88	411.03	5.16	-37.72
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCC(=O)N(C)C)C[C@H]12	REAL300020293720	0	54	-1.0	-45.33	415.41	5.73	-39.60
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCC(=O)N(C)C)C[C@H]12	REAL300020293720	1	54	-1.0	-45.31	415.46	5.75	-39.56
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCC(=O)N(C)C)CC[C@H]12	REAL300020293721	0	54	-1.0	-51.09	420.28	5.54	-45.55
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCC(=O)N(C)C)CC[C@H]12	REAL300020293721	1	54	-1.0	-51.12	420.34	5.57	-45.55
CC1=C(CNC2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)OC=C1	REAL300020293722	0	49	-1.0	-45.17	407.01	7.31	-37.86
CC1=C(CNC2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)OC=C1	REAL300020293722	1	49	-1.0	-45.18	407.07	7.33	-37.85
CC1=C(CNC2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)OC=C1	REAL300020293723	0	46	-1.0	-49.57	390.39	6.68	-42.89
CC1=C(CNC2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)OC=C1	REAL300020293723	1	46	-1.0	-49.56	390.45	6.70	-42.86
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020293724	0	51	-1.0	-44.64	396.23	5.02	-39.62
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020293724	1	51	-1.0	-44.63	396.29	5.03	-39.60
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020293725	0	48	-1.0	-51.06	376.45	4.28	-46.78
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020293725	1	48	-1.0	-51.11	376.50	4.31	-46.80
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@@H]1F	REAL300020293726	0	49	-1.0	-44.75	395.35	6.28	-38.47
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@@H]1F	REAL300020293726	1	49	-1.0	-44.77	395.41	6.30	-38.47
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@@H]1F	REAL300020293727	0	46	-1.0	-46.49	371.66	5.66	-40.83
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@@H]1F	REAL300020293727	1	46	-1.0	-46.51	371.71	5.68	-40.83
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020293728	0	48	-1.0	-58.92	398.10	1.44	-57.48
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020293728	1	48	-1.0	-58.89	398.16	1.46	-57.43
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293729	0	51	-1.0	-42.91	409.08	6.41	-36.50
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293729	1	51	-1.0	-42.90	409.14	6.42	-36.48
C#C[C@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293730	0	48	-1.0	-49.05	393.58	5.79	-43.26
C#C[C@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293730	1	48	-1.0	-49.02	393.52	5.77	-43.25
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020293731	0	51	-1.0	-59.04	433.35	2.64	-56.40
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020293731	1	51	-1.0	-59.08	433.40	2.67	-56.41
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020293732	0	48	-1.0	-45.11	396.47	6.22	-38.89
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020293732	1	48	-1.0	-45.13	396.52	6.24	-38.89
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020293733	0	45	-1.0	-48.71	381.99	5.35	-43.36
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020293733	1	45	-1.0	-48.74	382.05	5.37	-43.37
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020293734	0	52	-1.0	-45.34	414.47	7.24	-38.10
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020293734	1	52	-1.0	-45.32	414.53	7.26	-38.06
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020293735	0	49	-1.0	-49.68	402.50	6.43	-43.25
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020293735	1	49	-1.0	-49.70	402.56	6.45	-43.25
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293736	0	51	-1.0	-45.96	423.10	5.04	-40.92
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293736	1	51	-1.0	-45.94	423.16	5.05	-40.89
C#CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293737	0	48	-1.0	-49.57	401.19	4.27	-45.30
C#CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293737	1	48	-1.0	-49.56	401.24	4.29	-45.27
COCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293738	0	56	-1.0	-45.61	444.51	5.83	-39.78
COCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293738	1	56	-1.0	-45.58	444.56	5.85	-39.73
COCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293739	0	53	-1.0	-40.99	407.49	5.07	-35.92
COCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293739	1	53	-1.0	-40.99	407.58	5.08	-35.91
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020293740	0	53	-1.0	-47.41	428.92	6.03	-41.38
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020293740	1	53	-1.0	-47.45	428.98	6.05	-41.40
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020293741	0	49	-1.0	-48.47	399.62	5.54	-42.93
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020293741	1	49	-1.0	-48.52	399.68	5.56	-42.96
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020293742	0	46	-1.0	-49.13	378.42	5.53	-43.60
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020293742	1	46	-1.0	-49.19	378.47	5.56	-43.63
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020293743	0	52	-1.0	-43.68	415.80	7.17	-36.51
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020293743	1	52	-1.0	-43.65	415.86	7.19	-36.46
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020293744	0	49	-1.0	-49.21	407.03	6.43	-42.78
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020293744	1	49	-1.0	-49.21	407.09	6.46	-42.75
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020293745	0	51	-1.0	-51.48	405.45	3.21	-48.27
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020293745	1	51	-1.0	-51.52	405.51	3.23	-48.29
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020293746	0	47	-1.0	-53.54	402.79	5.93	-47.61
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020293746	1	47	-1.0	-53.54	402.85	5.95	-47.59
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020293747	0	48	-1.0	-51.95	384.80	4.58	-47.37
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020293747	1	48	-1.0	-51.93	384.86	4.61	-47.32
CCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293748	0	58	-1.0	-43.98	454.13	8.43	-35.55
CCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293748	1	58	-1.0	-43.95	454.19	8.44	-35.51
CCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293749	0	55	-1.0	-48.64	432.62	7.64	-41.00
CCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293749	1	55	-1.0	-48.64	432.68	7.67	-40.97
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020293750	0	46	-1.0	-46.23	379.08	4.91	-41.32
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020293750	1	46	-1.0	-46.18	379.14	4.93	-41.25
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020293751	0	43	-1.0	-42.46	351.69	4.25	-38.21
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020293751	1	43	-1.0	-42.43	351.63	4.22	-38.21
CC1CC(C(N)=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293752	0	53	-1.0	-45.53	425.14	2.90	-42.63
CC1CC(C(N)=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293752	1	53	-1.0	-45.56	425.19	2.91	-42.65
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020293753	0	53	-1.0	-44.84	411.50	7.33	-37.51
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020293753	1	53	-1.0	-44.80	411.55	7.34	-37.46
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020293754	0	50	-1.0	-50.37	390.62	6.57	-43.80
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020293754	1	50	-1.0	-50.39	390.67	6.60	-43.79
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020293755	0	53	-1.0	-44.61	401.29	6.62	-37.99
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020293755	1	53	-1.0	-44.61	401.35	6.63	-37.98
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020293756	0	50	-1.0	-50.23	386.99	6.06	-44.17
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020293756	1	50	-1.0	-50.21	387.05	6.08	-44.13
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@@H]1F	REAL300020293757	0	52	-1.0	-43.73	415.87	6.96	-36.77
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@@H]1F	REAL300020293757	1	52	-1.0	-43.78	415.93	6.98	-36.80
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@@H]1F	REAL300020293758	0	49	-1.0	-42.58	394.07	6.33	-36.25
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@@H]1F	REAL300020293758	1	49	-1.0	-42.57	394.12	6.35	-36.22
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020293759	0	52	-1.0	-50.20	423.01	7.13	-43.07
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020293759	1	52	-1.0	-50.21	423.06	7.16	-43.05
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@@H]1O	REAL300020293760	0	53	-1.0	-46.23	419.86	3.99	-42.24
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@@H]1O	REAL300020293760	1	53	-1.0	-46.24	419.92	4.01	-42.23
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@@H]1O	REAL300020293761	0	50	-1.0	-48.02	401.26	3.11	-44.91
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@@H]1O	REAL300020293761	1	50	-1.0	-48.01	401.31	3.13	-44.88
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C(C)C1CCC1	REAL300020293762	0	58	-1.0	-43.16	436.99	8.24	-34.92
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C(C)C1CCC1	REAL300020293762	1	58	-1.0	-43.13	437.05	8.25	-34.88
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C(C)C1CCC1	REAL300020293763	0	55	-1.0	-49.16	426.99	5.93	-43.23
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C(C)C1CCC1	REAL300020293763	1	55	-1.0	-49.22	427.06	5.95	-43.27
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020293764	0	50	-1.0	-44.42	399.92	5.97	-38.45
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020293764	1	50	-1.0	-44.44	399.98	5.98	-38.46
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020293765	0	47	-1.0	-42.17	377.00	5.44	-36.73
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020293765	1	47	-1.0	-42.16	377.06	5.47	-36.69
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020293766	0	51	-1.0	-42.64	402.61	6.86	-35.78
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020293766	1	51	-1.0	-42.64	402.67	6.89	-35.75
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020293767	0	51	-1.0	-47.10	399.34	3.11	-43.99
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020293767	1	51	-1.0	-47.12	399.40	3.14	-43.98
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C[C@H](C)C1(F)F	REAL300020293768	0	52	-1.0	-47.73	420.94	7.02	-40.71
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C[C@H](C)C1(F)F	REAL300020293768	1	52	-1.0	-47.72	420.99	7.04	-40.68
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020293769	0	49	-1.0	-46.73	392.26	3.38	-43.35
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020293769	1	49	-1.0	-46.77	392.32	3.40	-43.37
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020293770	0	46	-1.0	-52.56	373.93	2.78	-49.78
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020293770	1	46	-1.0	-52.58	373.99	2.80	-49.78
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020293771	0	50	-1.0	-50.46	414.63	3.80	-46.66
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020293771	1	50	-1.0	-50.45	414.69	3.82	-46.63
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020293772	0	47	-1.0	-53.24	391.98	3.06	-50.18
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020293772	1	47	-1.0	-53.20	392.04	3.09	-50.11
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020293773	0	53	-1.0	-43.98	424.62	6.47	-37.51
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020293773	1	53	-1.0	-43.97	424.68	6.49	-37.48
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020293774	0	50	-1.0	-47.57	410.49	5.50	-42.07
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020293774	1	50	-1.0	-47.53	410.54	5.53	-42.00
COC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020293775	0	53	-1.0	-46.22	428.12	7.57	-38.65
COC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020293775	1	53	-1.0	-46.26	428.18	7.59	-38.67
COC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020293776	0	50	-1.0	-53.07	413.74	7.02	-46.05
COC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020293776	1	50	-1.0	-53.05	413.68	7.00	-46.05
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C1	REAL300020293777	0	50	-1.0	-47.12	404.60	6.63	-40.49
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C1	REAL300020293777	1	50	-1.0	-47.10	404.66	6.64	-40.46
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C1	REAL300020293778	0	47	-1.0	-45.90	387.30	6.02	-39.88
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C1	REAL300020293778	1	47	-1.0	-46.00	387.40	6.04	-39.96
CCCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293779	0	57	-1.0	-42.86	442.53	8.19	-34.67
CCCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293779	1	57	-1.0	-42.86	442.59	8.21	-34.65
CCCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293780	0	54	-1.0	-48.04	429.78	7.60	-40.44
CCCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293780	1	54	-1.0	-48.06	429.84	7.62	-40.44
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293781	0	52	-1.0	-52.81	432.45	6.14	-46.67
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293781	1	52	-1.0	-52.83	432.50	6.17	-46.66
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020293782	0	53	-1.0	-42.49	410.71	6.99	-35.50
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020293782	1	53	-1.0	-42.46	410.77	7.00	-35.46
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020293783	0	50	-1.0	-40.16	389.04	6.57	-33.59
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020293783	1	50	-1.0	-40.20	389.10	6.59	-33.61
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1=O	REAL300020293784	0	49	-1.0	-50.23	409.65	5.22	-45.01
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1=O	REAL300020293784	1	49	-1.0	-50.27	409.71	5.25	-45.02
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293785	0	50	-1.0	-46.94	398.27	4.60	-42.34
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293785	1	50	-1.0	-46.96	398.33	4.61	-42.35
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293786	0	47	-1.0	-52.57	377.05	3.80	-48.77
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293786	1	47	-1.0	-52.55	377.10	3.82	-48.73
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCC(=O)N(C)C)CC2=C1	REAL300020293787	0	53	-1.0	-44.48	428.81	8.37	-36.11
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCC(=O)N(C)C)CC2=C1	REAL300020293787	1	53	-1.0	-44.43	428.87	8.38	-36.05
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCC(=O)N(C)C)CC2=C1	REAL300020293788	0	50	-1.0	-49.69	406.78	7.56	-42.13
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCC(=O)N(C)C)CC2=C1	REAL300020293788	1	50	-1.0	-49.66	406.72	7.53	-42.13
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293789	0	53	-1.0	-49.61	419.75	5.38	-44.23
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293789	1	53	-1.0	-49.68	419.81	5.39	-44.29
CC1CN2N=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293790	0	50	-1.0	-53.71	398.90	4.61	-49.10
CC1CN2N=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293790	1	50	-1.0	-53.69	398.85	4.59	-49.10
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020293791	0	52	-1.0	-49.21	417.41	7.20	-42.01
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020293791	1	52	-1.0	-49.24	417.46	7.22	-42.02
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293792	0	56	-1.0	-45.41	439.90	6.28	-39.13
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293792	1	56	-1.0	-45.41	439.95	6.29	-39.12
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293793	0	53	-1.0	-47.98	415.22	5.63	-42.35
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293793	1	53	-1.0	-48.02	415.27	5.65	-42.37
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020293794	0	56	-1.0	-41.88	406.73	7.75	-34.13
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020293794	1	56	-1.0	-41.86	406.79	7.78	-34.08
COC1=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)=CC=C1C	REAL300020293795	0	53	-1.0	-45.47	428.80	8.56	-36.91
COC1=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)=CC=C1C	REAL300020293795	1	53	-1.0	-45.46	428.74	8.54	-36.92
COC1=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=CC=C1C	REAL300020293796	0	50	-1.0	-49.68	411.85	7.92	-41.76
COC1=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=CC=C1C	REAL300020293796	1	50	-1.0	-49.70	411.79	7.90	-41.80
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020293797	0	50	-1.0	-56.97	405.10	3.84	-53.13
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020293797	1	50	-1.0	-56.98	405.16	3.86	-53.12
CCC=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293798	0	53	-1.0	-45.46	418.61	7.56	-37.90
CCC=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293798	1	53	-1.0	-45.43	418.67	7.58	-37.85
CCC=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293799	0	50	-1.0	-47.88	402.45	6.90	-40.98
CCC=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293799	1	50	-1.0	-47.82	402.40	6.88	-40.94
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020293800	0	56	-1.0	-45.83	443.68	4.31	-41.52
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020293800	1	56	-1.0	-45.81	443.74	4.32	-41.49
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020293801	0	53	-1.0	-50.21	422.54	3.54	-46.67
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020293801	1	53	-1.0	-50.27	422.60	3.56	-46.71
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020293802	0	52	-1.0	-45.07	421.22	7.14	-37.93
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020293802	1	52	-1.0	-45.07	421.28	7.16	-37.91
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020293803	0	49	-1.0	-50.93	404.95	6.52	-44.41
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020293803	1	49	-1.0	-50.93	405.01	6.54	-44.39
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293804	0	56	0.0	-68.42	421.79	6.63	-61.79
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293804	1	56	0.0	-65.74	428.25	7.82	-57.92
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293804	1	56	0.0	-68.39	421.85	6.66	-61.73
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293804	1	56	0.0	-65.72	428.31	7.84	-57.88
C#CCN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=N1	REAL300020293805	0	48	-1.0	-50.98	409.23	7.75	-43.23
C#CCN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=N1	REAL300020293805	1	48	-1.0	-51.04	409.17	7.74	-43.30
C#CCN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=N1	REAL300020293806	0	45	-1.0	-49.59	387.55	7.21	-42.38
C#CCN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=N1	REAL300020293806	1	45	-1.0	-49.63	387.49	7.19	-42.44
CC1CC2(CCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293807	0	56	-1.0	-49.72	417.07	6.99	-42.73
CC1CC2(CCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293807	1	56	-1.0	-49.73	417.13	7.01	-42.72
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CCOC1	REAL300020293808	0	53	-1.0	-43.28	395.25	4.75	-38.53
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CCOC1	REAL300020293808	1	53	-1.0	-43.30	395.31	4.77	-38.53
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C)C1CCOC1	REAL300020293809	0	50	-1.0	-43.10	384.08	4.40	-38.70
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C)C1CCOC1	REAL300020293809	1	50	-1.0	-43.11	384.14	4.43	-38.68
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020293810	0	56	-1.0	-43.72	420.37	7.80	-35.92
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020293810	1	56	-1.0	-43.74	420.44	7.80	-35.94
CCN(CCOCCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293811	0	56	-1.0	-50.05	441.11	3.87	-46.18
CCN(CCOCCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293811	1	56	-1.0	-50.01	441.16	3.89	-46.12
CCN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293812	0	58	-1.0	-48.54	441.80	5.78	-42.76
CCN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293812	1	58	-1.0	-48.51	441.85	5.80	-42.71
C=CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293813	0	53	-1.0	-42.81	423.31	7.42	-35.39
C=CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293813	1	53	-1.0	-42.76	423.37	7.44	-35.32
C=CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293814	0	50	-1.0	-48.20	405.58	6.78	-41.42
C=CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293814	1	50	-1.0	-48.22	405.53	6.75	-41.47
CC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC(C)O1	REAL300020293815	0	56	-1.0	-41.83	423.61	5.76	-36.07
CC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC(C)O1	REAL300020293815	1	56	-1.0	-41.81	423.66	5.77	-36.04
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020293816	0	51	-1.0	-45.21	422.07	3.76	-41.45
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020293816	1	51	-1.0	-45.22	422.13	3.77	-41.45
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020293817	0	48	-1.0	-48.78	394.37	3.07	-45.71
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020293817	1	48	-1.0	-48.83	394.43	3.10	-45.73
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[N@@H+]1C1CC1	REAL300020293818	0	56	0.0	-65.52	433.30	7.47	-58.05
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[N@H+]1C1CC1	REAL300020293818	1	56	0.0	-66.50	433.27	7.47	-59.03
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[N@@H+]1C1CC1	REAL300020293818	1	56	0.0	-65.52	433.36	7.49	-58.03
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[N@H+]1C1CC1	REAL300020293818	1	56	0.0	-66.52	433.33	7.49	-59.03
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCN1C1CC1	REAL300020293818	1	55	-1.0	-48.03	429.73	5.16	-42.87
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCN1C1CC1	REAL300020293818	1	55	-1.0	-48.04	429.79	5.19	-42.85
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCC1(F)F	REAL300020293819	0	52	-1.0	-49.15	398.71	6.09	-43.06
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCC1(F)F	REAL300020293819	1	52	-1.0	-49.18	398.76	6.12	-43.06
CC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCC1(F)F	REAL300020293820	0	49	-1.0	-43.85	391.77	6.12	-37.73
CC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCC1(F)F	REAL300020293820	1	49	-1.0	-43.83	391.83	6.14	-37.69
CC1N(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCC1(F)F	REAL300020293821	0	46	-1.0	-41.44	372.76	5.97	-35.47
CC1N(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCC1(F)F	REAL300020293821	1	46	-1.0	-41.48	372.82	5.99	-35.49
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020293822	0	56	-1.0	-43.15	434.47	8.14	-35.01
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020293822	1	56	-1.0	-43.15	434.53	8.16	-34.99
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020293823	0	53	-1.0	-48.13	416.04	7.48	-40.65
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020293823	1	53	-1.0	-48.13	416.10	7.50	-40.63
CCC1COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293824	0	56	-1.0	-42.25	428.06	6.52	-35.73
CCC1COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293824	1	56	-1.0	-42.30	428.12	6.53	-35.77
CCC1COCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293825	0	53	-1.0	-51.15	415.43	5.14	-46.01
CCC1COCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293825	1	53	-1.0	-51.19	415.49	5.16	-46.03
CC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293826	0	53	-1.0	-44.38	419.89	5.69	-38.69
CC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293826	1	53	-1.0	-44.38	419.95	5.70	-38.68
CC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293827	0	50	-1.0	-48.77	405.49	4.77	-44.00
CC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293827	1	50	-1.0	-48.80	405.54	4.80	-44.00
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020293828	0	57	-1.0	-42.42	429.37	8.77	-33.65
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020293828	1	57	-1.0	-42.40	429.43	8.79	-33.61
C[C@@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293829	0	50	-1.0	-42.55	407.20	5.64	-36.91
C[C@@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293829	1	50	-1.0	-42.57	407.25	5.66	-36.91
C[C@@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293830	0	47	-1.0	-47.88	386.84	5.08	-42.80
C[C@@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293830	1	47	-1.0	-47.94	386.90	5.11	-42.83
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020293831	0	51	-1.0	-53.69	417.78	4.23	-49.46
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020293831	1	51	-1.0	-53.71	417.83	4.25	-49.46
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020293832	0	56	-1.0	-41.99	420.72	7.41	-34.58
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020293832	1	56	-1.0	-42.00	420.78	7.42	-34.58
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020293833	0	48	-1.0	-45.29	393.28	6.06	-39.23
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020293833	1	48	-1.0	-45.30	393.22	6.04	-39.26
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020293834	0	56	-1.0	-44.77	434.05	3.97	-40.80
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020293834	1	56	-1.0	-44.76	434.10	3.99	-40.77
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020293835	0	53	-1.0	-51.29	411.87	3.42	-47.87
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020293835	1	53	-1.0	-51.31	411.93	3.45	-47.86
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293836	0	53	-1.0	-56.72	423.13	2.58	-54.14
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293836	1	53	-1.0	-56.75	423.19	2.61	-54.14
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020293837	0	53	-1.0	-46.93	420.66	5.51	-41.42
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020293837	1	53	-1.0	-46.90	420.72	5.53	-41.37
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020293838	0	50	-1.0	-43.06	401.00	4.70	-38.36
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020293838	1	50	-1.0	-43.09	401.05	4.73	-38.36
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293839	0	51	-1.0	-46.42	413.18	6.71	-39.71
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293839	1	51	-1.0	-46.38	413.24	6.73	-39.65
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293840	0	48	-1.0	-50.59	387.60	6.40	-44.19
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293840	1	48	-1.0	-50.54	387.55	6.37	-44.17
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020293841	0	52	-1.0	-49.77	420.49	2.45	-47.32
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020293841	1	52	-1.0	-49.80	420.55	2.48	-47.32
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020293842	0	50	-1.0	-46.74	407.23	7.14	-39.60
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020293842	1	50	-1.0	-46.75	407.28	7.15	-39.60
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020293843	0	47	-1.0	-47.42	390.42	6.33	-41.09
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020293843	1	47	-1.0	-47.42	390.48	6.35	-41.07
COC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCC(=O)N(C)C)C2	REAL300020293844	0	54	-1.0	-43.60	424.47	5.94	-37.66
COC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCC(=O)N(C)C)C2	REAL300020293844	1	54	-1.0	-43.63	424.53	5.96	-37.67
COC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CCC(=O)N(C)C)C2	REAL300020293845	0	51	-1.0	-48.26	406.63	5.32	-42.94
COC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CCC(=O)N(C)C)C2	REAL300020293845	1	51	-1.0	-48.31	406.69	5.35	-42.96
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293846	0	58	-1.0	-49.38	449.89	8.50	-40.88
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293846	1	58	-1.0	-49.38	449.94	8.53	-40.85
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020293847	0	54	-1.0	-46.94	432.83	6.55	-40.39
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020293847	1	54	-1.0	-46.98	432.88	6.58	-40.40
CCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293848	0	52	-1.0	-46.37	411.25	6.89	-39.48
CCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293848	1	52	-1.0	-46.31	411.31	6.90	-39.41
CCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293849	0	49	-1.0	-52.67	392.72	6.32	-46.35
CCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293849	1	49	-1.0	-52.65	392.77	6.35	-46.30
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020293850	0	50	-1.0	-45.73	403.72	6.99	-38.74
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020293850	1	50	-1.0	-45.74	403.77	7.00	-38.74
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020293851	0	47	-1.0	-42.72	374.14	6.13	-36.59
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020293851	1	47	-1.0	-42.72	374.20	6.15	-36.57
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020293852	0	54	-1.0	-44.55	426.34	5.41	-39.14
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020293852	1	54	-1.0	-44.52	426.40	5.43	-39.09
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020293853	0	51	-1.0	-50.24	407.74	4.78	-45.46
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020293853	1	51	-1.0	-50.27	407.80	4.80	-45.47
COC(=O)C12CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCC(=O)N(C)C)C2	REAL300020293854	0	50	-1.0	-48.79	412.86	6.40	-42.39
COC(=O)C12CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCC(=O)N(C)C)C2	REAL300020293854	1	50	-1.0	-48.84	412.92	6.42	-42.42
CCC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=C1	REAL300020293855	0	55	-1.0	-46.44	441.21	9.72	-36.72
CCC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=C1	REAL300020293855	1	55	-1.0	-46.48	441.26	9.74	-36.74
CCC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C=C1	REAL300020293856	0	52	-1.0	-55.01	427.40	9.21	-45.80
CCC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C=C1	REAL300020293856	1	52	-1.0	-55.02	427.33	9.19	-45.83
COC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=C1	REAL300020293857	0	53	-1.0	-49.04	436.63	6.57	-42.47
COC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=C1	REAL300020293857	1	53	-1.0	-49.03	436.69	6.59	-42.44
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020293858	0	52	-1.0	-52.24	417.89	7.09	-45.15
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020293858	1	52	-1.0	-52.26	417.95	7.11	-45.15
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020293859	0	53	-1.0	-44.81	417.17	7.71	-37.10
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020293859	1	53	-1.0	-44.80	417.23	7.72	-37.08
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020293860	0	50	-1.0	-50.95	408.85	7.08	-43.87
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020293860	1	50	-1.0	-50.99	408.90	7.10	-43.89
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[C@H]1C	REAL300020293861	0	56	-1.0	-44.63	445.89	6.05	-38.58
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[C@H]1C	REAL300020293861	1	56	-1.0	-44.68	445.94	6.07	-38.61
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[C@H]1C	REAL300020293862	0	53	-1.0	-48.43	423.95	5.27	-43.16
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[C@H]1C	REAL300020293862	1	53	-1.0	-48.40	424.01	5.30	-43.10
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020293863	0	51	-1.0	-56.79	427.24	6.78	-50.01
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020293863	1	51	-1.0	-56.81	427.33	6.80	-50.01
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020293864	0	56	-1.0	-41.46	417.48	7.87	-33.59
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020293864	1	56	-1.0	-41.52	417.54	7.88	-33.64
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020293865	0	49	-1.0	-46.09	394.20	5.73	-40.36
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020293865	1	49	-1.0	-46.13	394.26	5.76	-40.37
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020293866	0	49	-1.0	-46.09	394.20	5.73	-40.36
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020293866	1	49	-1.0	-46.13	394.26	5.76	-40.37
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020293867	0	51	-1.0	-51.24	406.37	2.58	-48.66
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020293867	1	51	-1.0	-51.32	406.43	2.60	-48.72
CC1CC(F)(F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293868	0	49	-1.0	-44.25	401.56	5.54	-38.71
CC1CC(F)(F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293868	1	49	-1.0	-44.21	401.62	5.56	-38.65
CC1CC(F)(F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293869	0	46	-1.0	-47.19	379.40	5.68	-41.51
CC1CC(F)(F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293869	1	46	-1.0	-47.15	379.46	5.70	-41.45
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293870	0	58	-1.0	-44.80	451.42	7.61	-37.19
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293870	1	58	-1.0	-44.84	451.47	7.63	-37.21
CCCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293871	0	55	-1.0	-49.61	429.94	6.82	-42.79
CCCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293871	1	55	-1.0	-49.66	430.00	6.84	-42.82
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020293872	0	54	-1.0	-44.60	414.16	8.18	-36.42
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020293872	1	54	-1.0	-44.59	414.22	8.19	-36.40
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020293873	0	51	-1.0	-50.28	397.19	7.40	-42.88
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020293873	1	51	-1.0	-50.28	397.24	7.42	-42.86
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293874	0	51	-1.0	-46.72	405.20	8.78	-37.94
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293874	1	51	-1.0	-46.70	405.15	8.77	-37.93
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293875	0	52	-1.0	-45.36	414.96	6.40	-38.96
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293875	1	52	-1.0	-45.34	415.02	6.42	-38.92
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1(F)F	REAL300020293876	0	49	-1.0	-43.76	397.66	6.19	-37.57
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1(F)F	REAL300020293876	1	49	-1.0	-43.73	397.71	6.20	-37.53
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1(F)F	REAL300020293877	0	46	-1.0	-39.99	373.34	5.67	-34.32
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1(F)F	REAL300020293877	1	46	-1.0	-39.98	373.40	5.68	-34.30
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020293878	0	51	-1.0	-59.41	406.09	4.25	-55.16
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020293878	1	51	-1.0	-59.44	406.14	4.29	-55.15
C=C1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293879	0	50	-1.0	-44.83	397.98	6.83	-38.00
C=C1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293879	1	50	-1.0	-44.85	398.04	6.84	-38.01
C=C1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293880	0	47	-1.0	-50.02	376.90	6.06	-43.96
C=C1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293880	1	47	-1.0	-50.00	376.85	6.04	-43.96
CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293881	0	53	-1.0	-46.85	429.96	5.44	-41.41
CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293881	1	53	-1.0	-46.84	430.02	5.45	-41.39
CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293882	0	50	-1.0	-50.13	401.87	4.89	-45.24
CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293882	1	50	-1.0	-50.10	401.92	4.92	-45.18
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)[C@H]2COC[C@H]21	REAL300020293883	0	52	-1.0	-42.54	408.12	3.56	-38.98
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)[C@H]2COC[C@H]21	REAL300020293883	1	52	-1.0	-42.55	408.18	3.59	-38.96
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCC(F)(F)C1	REAL300020293884	0	52	-1.0	-42.69	410.28	7.25	-35.44
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCC(F)(F)C1	REAL300020293884	1	52	-1.0	-42.66	410.34	7.27	-35.39
CC(C1CCCO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293885	0	56	-1.0	-45.09	438.04	5.21	-39.88
CC(C1CCCO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293885	1	56	-1.0	-45.11	438.10	5.22	-39.89
CC(C1CCCO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293886	0	53	-1.0	-44.12	406.26	5.49	-38.63
CC(C1CCCO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293886	1	53	-1.0	-44.11	406.29	5.50	-38.61
C[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293887	0	49	-1.0	-43.56	384.33	5.17	-38.39
C[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293887	1	49	-1.0	-43.55	384.39	5.19	-38.36
C[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293888	0	46	-1.0	-50.28	373.56	5.42	-44.86
C[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293888	1	46	-1.0	-50.31	373.51	5.39	-44.92
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020293889	0	53	-1.0	-45.26	412.67	7.26	-38.00
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020293889	1	53	-1.0	-45.20	412.63	7.25	-37.95
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[C@H]1F	REAL300020293890	0	53	-1.0	-43.20	426.51	5.28	-37.92
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[C@H]1F	REAL300020293890	1	53	-1.0	-43.20	426.57	5.30	-37.90
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC[C@H]1F	REAL300020293891	0	50	-1.0	-46.96	402.88	4.79	-42.17
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC[C@H]1F	REAL300020293891	1	50	-1.0	-46.94	402.93	4.82	-42.12
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293892	0	53	-1.0	-52.16	418.57	2.59	-49.57
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293892	1	53	-1.0	-52.22	418.63	2.60	-49.62
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293893	0	50	-1.0	-53.10	393.00	2.75	-50.35
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293893	1	50	-1.0	-53.06	393.08	2.77	-50.29
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020293894	0	48	-1.0	-52.27	389.57	0.70	-51.57
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020293894	1	48	-1.0	-52.28	389.62	0.72	-51.56
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020293895	0	50	-1.0	-48.37	407.31	7.05	-41.32
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020293895	1	50	-1.0	-48.43	407.36	7.07	-41.36
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293896	0	52	-1.0	-43.58	416.10	6.11	-37.47
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293896	1	52	-1.0	-43.55	416.05	6.08	-37.47
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020293897	0	58	-1.0	-42.02	428.62	8.73	-33.29
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020293897	1	58	-1.0	-41.97	428.67	8.76	-33.21
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020293898	0	53	-1.0	-45.01	410.20	7.23	-37.78
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020293898	1	53	-1.0	-45.05	410.25	7.25	-37.80
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020293899	0	50	-1.0	-51.83	386.60	6.15	-45.68
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C	REAL300020293899	1	50	-1.0	-51.86	386.66	6.18	-45.68
C[C@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293900	0	50	-1.0	-42.80	403.27	5.76	-37.04
C[C@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293900	1	50	-1.0	-42.81	403.33	5.78	-37.03
C[C@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293901	0	47	-1.0	-41.03	382.22	5.25	-35.78
C[C@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293901	1	47	-1.0	-41.04	382.27	5.26	-35.78
C#CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293902	0	47	-1.0	-46.03	389.59	6.48	-39.55
C#CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293902	1	47	-1.0	-46.04	389.64	6.49	-39.55
C#CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293903	0	44	-1.0	-48.68	375.14	5.63	-43.05
C#CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293903	1	44	-1.0	-48.65	375.09	5.60	-43.05
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020293904	0	51	-1.0	-45.36	424.95	8.39	-36.97
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020293904	1	51	-1.0	-45.33	424.99	8.38	-36.95
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020293905	0	50	-1.0	-49.85	391.93	5.61	-44.24
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020293905	1	50	-1.0	-49.80	391.98	5.62	-44.18
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020293906	0	47	-1.0	-49.03	366.29	4.86	-44.17
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020293906	1	47	-1.0	-49.04	366.35	4.89	-44.15
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020293907	0	56	-1.0	-47.16	429.63	8.08	-39.08
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020293907	1	56	-1.0	-47.17	429.69	8.10	-39.07
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020293908	0	52	-1.0	-50.95	421.78	6.96	-43.99
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020293908	1	52	-1.0	-50.98	421.84	6.98	-44.00
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020293909	0	55	-1.0	-50.75	438.83	7.79	-42.96
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020293909	1	55	-1.0	-50.73	438.89	7.81	-42.92
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020293910	0	53	-1.0	-50.74	425.23	3.17	-47.57
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020293910	1	53	-1.0	-50.71	425.29	3.19	-47.52
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020293911	0	50	-1.0	-56.68	404.13	2.40	-54.28
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020293911	1	50	-1.0	-56.76	404.19	2.43	-54.33
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020293912	0	53	-1.0	-48.07	425.22	3.82	-44.25
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020293912	1	53	-1.0	-48.11	425.28	3.83	-44.28
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020293913	0	50	-1.0	-52.53	407.65	2.95	-49.58
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020293913	1	50	-1.0	-52.49	407.71	2.98	-49.51
CO[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293914	0	53	-1.0	-44.25	422.37	5.48	-38.77
CO[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293914	1	53	-1.0	-44.22	422.43	5.49	-38.73
CO[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293915	0	50	-1.0	-43.26	400.06	4.67	-38.59
CO[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293915	1	50	-1.0	-43.23	400.12	4.69	-38.54
COC(=O)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CC1	REAL300020293916	0	50	-1.0	-49.47	417.55	6.08	-43.39
COC(=O)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CC1	REAL300020293916	1	50	-1.0	-49.40	417.60	6.11	-43.29
CC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293917	0	53	-1.0	-42.61	406.26	4.93	-37.68
CC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293917	1	53	-1.0	-42.64	406.32	4.94	-37.70
CC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293918	0	50	-1.0	-48.83	389.79	4.29	-44.54
CC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293918	1	50	-1.0	-48.81	389.85	4.32	-44.49
CO[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293919	0	53	-1.0	-44.29	422.88	5.28	-39.01
CO[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293919	1	53	-1.0	-44.31	422.94	5.30	-39.01
CO[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293920	0	50	-1.0	-43.01	395.96	4.73	-38.28
CO[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293920	1	50	-1.0	-43.00	396.01	4.74	-38.26
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293921	0	54	-1.0	-44.93	435.36	3.90	-41.03
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293921	1	54	-1.0	-44.96	435.42	3.91	-41.05
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293922	0	51	-1.0	-41.33	397.20	2.89	-38.44
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293922	1	51	-1.0	-41.33	397.25	2.90	-38.43
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293923	0	54	-1.0	-45.38	424.80	3.52	-41.86
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293923	1	54	-1.0	-45.40	424.86	3.53	-41.87
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)CCO1	REAL300020293924	0	51	-1.0	-48.89	417.38	3.39	-45.50
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)CCO1	REAL300020293924	1	51	-1.0	-48.90	417.44	3.42	-45.48
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020293925	0	52	-1.0	-50.51	419.50	5.59	-44.92
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020293925	1	52	-1.0	-50.56	419.56	5.61	-44.95
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CC1(C)C	REAL300020293926	0	50	-1.0	-43.83	394.32	5.82	-38.01
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CC1(C)C	REAL300020293926	1	50	-1.0	-43.82	394.37	5.84	-37.98
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CC1(C)C	REAL300020293927	0	47	-1.0	-42.31	377.57	4.80	-37.51
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CC1(C)C	REAL300020293927	1	47	-1.0	-42.31	377.52	4.77	-37.54
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020293928	0	49	-1.0	-50.66	398.33	1.85	-48.81
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020293928	1	49	-1.0	-50.59	398.38	1.87	-48.72
C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293929	0	49	-1.0	-43.97	385.49	6.33	-37.64
C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293929	1	49	-1.0	-43.97	385.54	6.35	-37.62
C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293930	0	46	-1.0	-48.97	367.86	5.75	-43.22
C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293930	1	46	-1.0	-48.99	367.80	5.73	-43.26
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020293931	0	53	-1.0	-45.38	420.29	8.44	-36.94
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020293931	1	53	-1.0	-45.34	420.33	8.43	-36.91
C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293932	0	49	-1.0	-43.97	385.49	6.33	-37.64
C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293932	1	49	-1.0	-43.97	385.54	6.35	-37.62
C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293933	0	46	-1.0	-48.97	367.86	5.75	-43.22
C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293933	1	46	-1.0	-48.99	367.80	5.73	-43.26
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC(=O)N(C)C	REAL300020293934	0	53	-1.0	-45.38	420.29	8.44	-36.94
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC(=O)N(C)C	REAL300020293934	1	53	-1.0	-45.34	420.33	8.43	-36.91
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020293935	0	52	-1.0	-51.56	417.66	5.84	-45.72
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020293935	1	52	-1.0	-51.62	417.72	5.87	-45.75
CCN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293936	0	56	-1.0	-48.77	441.59	5.66	-43.11
CCN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293936	1	56	-1.0	-48.76	441.64	5.69	-43.07
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020293937	0	54	-1.0	-52.02	412.07	5.45	-46.57
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020293937	1	54	-1.0	-52.08	412.13	5.47	-46.61
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCC(=O)N(C)C)=N1	REAL300020293938	0	52	-1.0	-47.81	429.98	9.13	-38.68
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCC(=O)N(C)C)=N1	REAL300020293938	1	52	-1.0	-47.78	429.93	9.11	-38.67
CCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=N1	REAL300020293939	0	49	-1.0	-51.95	408.43	8.36	-43.59
CCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=N1	REAL300020293939	1	49	-1.0	-51.98	408.37	8.33	-43.65
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020293940	0	51	-1.0	-44.82	389.17	7.07	-37.75
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020293940	1	51	-1.0	-44.84	389.22	7.09	-37.75
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020293941	0	48	-1.0	-45.08	374.40	6.39	-38.69
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020293941	1	48	-1.0	-45.09	374.45	6.40	-38.69
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020293942	0	52	-1.0	-42.60	403.03	5.58	-37.02
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020293942	1	52	-1.0	-42.62	403.08	5.59	-37.03
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020293943	0	54	-1.0	-44.73	412.29	3.54	-41.19
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020293943	1	54	-1.0	-44.74	412.34	3.56	-41.18
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020293944	0	51	-1.0	-48.62	390.37	2.76	-45.86
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020293944	1	51	-1.0	-48.61	390.42	2.79	-45.82
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020293945	0	54	-1.0	-42.79	428.10	7.99	-34.80
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020293945	1	54	-1.0	-42.81	428.16	8.00	-34.81
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020293946	0	51	-1.0	-48.86	410.50	7.32	-41.54
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020293946	1	51	-1.0	-48.85	410.44	7.29	-41.56
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020293947	0	53	-1.0	-42.97	428.35	8.56	-34.41
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020293947	1	53	-1.0	-42.95	428.40	8.57	-34.38
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020293948	0	56	-1.0	-44.94	430.69	7.94	-37.00
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020293948	1	56	-1.0	-44.96	430.75	7.95	-37.01
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020293949	0	53	-1.0	-49.49	411.76	7.20	-42.29
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020293949	1	53	-1.0	-49.48	411.82	7.22	-42.26
CCC(O)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293950	0	55	-1.0	-44.78	426.58	3.70	-41.08
CCC(O)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293950	1	55	-1.0	-44.82	426.63	3.71	-41.11
CCC(O)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293951	0	52	-1.0	-50.30	405.47	2.90	-47.40
CCC(O)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293951	1	52	-1.0	-50.27	405.53	2.92	-47.35
CCN(CCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293952	0	55	-1.0	-47.32	433.34	3.19	-44.13
CCN(CCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293952	1	55	-1.0	-47.33	433.39	3.20	-44.13
CCN(CCCCO)C1=NN=C(CC2=N[N-]N=N2)N1CCC(=O)N(C)C	REAL300020293953	0	52	-1.0	-52.26	411.42	2.41	-49.85
CCN(CCCCO)C1=NN=C(CC2=NN=N[N-]2)N1CCC(=O)N(C)C	REAL300020293953	1	52	-1.0	-52.26	411.47	2.44	-49.82
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020293954	0	51	-1.0	-47.39	416.10	5.27	-42.12
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020293954	1	51	-1.0	-47.39	416.15	5.29	-42.10
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020293955	0	48	-1.0	-44.07	393.94	4.74	-39.33
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020293955	1	48	-1.0	-44.08	394.00	4.76	-39.32
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020293956	0	50	-1.0	-43.67	405.17	7.40	-36.27
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020293956	1	50	-1.0	-43.65	405.23	7.41	-36.24
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020293957	0	47	-1.0	-46.70	383.25	6.62	-40.08
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020293957	1	47	-1.0	-46.77	383.31	6.64	-40.13
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020293958	0	48	-1.0	-48.88	379.36	3.58	-45.30
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020293958	1	48	-1.0	-48.86	379.40	3.60	-45.26
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020293959	0	45	-1.0	-46.07	357.82	3.25	-42.82
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020293959	1	45	-1.0	-46.10	357.88	3.26	-42.84
CC(C)CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)=N1	REAL300020293960	0	52	-1.0	-52.10	427.86	9.13	-42.97
CC(C)CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)=N1	REAL300020293960	1	52	-1.0	-52.10	427.81	9.10	-43.00
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCC(=O)N(C)C)C1	REAL300020293961	0	53	-1.0	-51.51	427.00	3.97	-47.54
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCC(=O)N(C)C)C1	REAL300020293961	1	53	-1.0	-51.54	427.05	3.99	-47.55
CN(C)C(=O)CCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020293962	0	52	-1.0	-45.61	402.67	3.93	-41.68
CN(C)C(=O)CCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020293962	1	52	-1.0	-45.62	402.72	3.95	-41.67
CN(C)C(=O)CCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020293963	0	49	-1.0	-47.78	387.01	3.29	-44.49
CN(C)C(=O)CCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020293963	1	49	-1.0	-47.83	387.07	3.32	-44.51
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020293964	0	46	-1.0	-40.08	378.96	9.52	-30.56
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020293964	1	46	-1.0	-40.10	379.01	9.53	-30.57
CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020293965	0	43	-1.0	-41.36	357.51	8.76	-32.60
CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020293965	1	43	-1.0	-41.37	357.46	8.73	-32.64
CN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020293966	0	50	-1.0	-42.37	396.63	11.22	-31.15
CN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020293966	1	50	-1.0	-42.37	396.66	11.22	-31.15
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020293967	0	52	-1.0	-42.28	410.14	9.62	-32.66
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020293967	1	52	-1.0	-42.21	410.20	9.63	-32.58
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020293968	0	49	-1.0	-44.10	399.52	9.53	-34.57
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020293968	1	49	-1.0	-44.05	399.47	9.52	-34.53
C1=COC(CN(CC2=CC=CS2)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020293969	0	47	-1.0	-46.21	406.71	9.56	-36.65
C1=COC(CN(CC2=CC=CS2)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020293969	1	47	-1.0	-46.17	406.65	9.54	-36.63
COCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020293970	0	56	-1.0	-44.42	453.26	9.38	-35.04
COCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020293970	1	56	-1.0	-44.36	453.32	9.40	-34.96
COCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020293971	0	53	-1.0	-45.74	434.91	9.12	-36.62
COCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020293971	1	53	-1.0	-45.73	434.96	9.14	-36.59
C1=CC=C(C[N@H+]2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020293972	0	56	0.0	-73.39	432.00	10.91	-62.48
C1=CC=C(C[N@@H+]2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020293972	1	56	0.0	-69.54	422.10	11.69	-57.85
C1=CC=C(C[N@H+]2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020293972	1	56	0.0	-73.39	432.06	10.93	-62.46
C1=CC=C(C[N@@H+]2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020293972	1	56	0.0	-69.59	422.14	11.70	-57.89
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020293973	0	51	-1.0	-45.02	414.02	7.71	-37.31
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020293973	1	51	-1.0	-44.97	414.07	7.72	-37.25
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020293974	0	48	-1.0	-45.75	398.77	6.90	-38.85
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020293974	1	48	-1.0	-45.69	398.83	6.93	-38.76
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCCCC1	REAL300020293975	0	49	-1.0	-40.73	378.06	8.78	-31.95
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCCCC1	REAL300020293975	1	49	-1.0	-40.73	378.12	8.79	-31.94
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCCCC1	REAL300020293976	0	46	-1.0	-41.90	351.36	8.21	-33.69
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCCCC1	REAL300020293976	1	46	-1.0	-41.95	351.42	8.23	-33.72
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CCCCC1	REAL300020293977	0	53	-1.0	-41.84	405.89	9.93	-31.91
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CCCCC1	REAL300020293977	1	53	-1.0	-41.92	405.91	9.92	-32.00
CCSC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020293978	0	53	-1.0	-40.32	430.27	9.96	-30.36
CCSC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020293978	1	53	-1.0	-40.29	430.33	9.98	-30.31
CCSC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020293979	0	50	-1.0	-44.51	391.34	9.71	-34.80
CCSC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020293979	1	50	-1.0	-44.49	391.38	9.74	-34.75
CCSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020293980	0	52	-1.0	-39.72	417.85	10.25	-29.47
CCSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020293980	1	52	-1.0	-39.73	417.91	10.26	-29.47
CCSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020293981	0	49	-1.0	-41.01	396.35	9.46	-31.55
CCSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020293981	1	49	-1.0	-41.03	396.41	9.49	-31.54
CCCCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1(C)C	REAL300020293982	0	59	-1.0	-41.37	466.38	9.94	-31.43
CCCCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1(C)C	REAL300020293982	1	59	-1.0	-41.36	466.44	9.96	-31.40
CC1=CC=C(C2CC(C)N(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020293983	0	56	-1.0	-42.35	438.25	11.87	-30.48
CC1=CC=C(C2CC(C)N(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020293983	1	56	-1.0	-42.35	438.31	11.88	-30.47
CC1=CC=C(C2CC(C)N(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020293984	0	53	-1.0	-46.14	419.98	11.01	-35.13
CC1=CC=C(C2CC(C)N(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020293984	1	53	-1.0	-46.13	420.04	11.03	-35.10
CC1=CC(F)=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020293985	0	50	-1.0	-40.40	403.59	10.52	-29.88
CC1=CC(F)=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020293985	1	50	-1.0	-40.39	403.65	10.53	-29.86
CC1=CC(F)=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020293986	0	47	-1.0	-47.19	361.55	8.44	-38.75
CC1=CC(F)=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020293986	1	47	-1.0	-47.20	361.49	8.43	-38.77
CCCOC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020293987	0	54	-1.0	-44.33	415.01	9.67	-34.66
CCCOC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020293987	1	54	-1.0	-44.30	415.05	9.69	-34.61
C#CCN1C=CC(CN(CCOC)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020293988	0	52	-1.0	-48.92	432.95	6.63	-42.29
C#CCN1C=CC(CN(CCOC)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020293988	1	52	-1.0	-48.88	433.01	6.65	-42.23
COCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCC(C)C1	REAL300020293989	0	56	-1.0	-41.94	415.81	7.66	-34.28
COCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCC(C)C1	REAL300020293989	1	56	-1.0	-41.94	415.86	7.68	-34.26
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCC(C)C1	REAL300020293990	0	53	-1.0	-42.98	408.20	7.34	-35.64
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCC(C)C1	REAL300020293990	1	53	-1.0	-42.98	408.25	7.36	-35.62
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020293991	0	51	-1.0	-40.40	394.55	8.71	-31.69
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020293991	1	51	-1.0	-40.45	394.61	8.72	-31.73
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020293992	0	48	-1.0	-43.88	368.19	7.97	-35.91
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020293992	1	48	-1.0	-43.88	368.25	8.01	-35.87
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020293993	0	55	-1.0	-42.27	417.34	10.69	-31.58
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020293993	1	55	-1.0	-42.28	417.39	10.68	-31.60
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCC2=CC=CC=C21	REAL300020293994	0	50	-1.0	-42.89	399.82	9.34	-33.55
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCC2=CC=CC=C21	REAL300020293994	1	50	-1.0	-42.89	399.87	9.36	-33.53
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCC2=CC=CC=C21	REAL300020293995	0	47	-1.0	-48.10	366.53	9.72	-38.38
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCC2=CC=CC=C21	REAL300020293995	1	47	-1.0	-48.11	366.47	9.71	-38.40
COC1=CC=C(C(C)N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020293996	0	53	-1.0	-40.49	416.07	9.70	-30.79
COC1=CC=C(C(C)N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020293996	1	53	-1.0	-40.51	416.13	9.71	-30.80
COC1=CC=C(C(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020293997	0	50	-1.0	-41.98	402.91	8.73	-33.25
COC1=CC=C(C(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020293997	1	50	-1.0	-41.98	402.85	8.70	-33.28
CC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020293998	0	53	-1.0	-41.82	425.22	11.71	-30.11
CC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020293998	1	53	-1.0	-41.80	425.28	11.71	-30.09
CC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020293999	0	50	-1.0	-43.96	404.51	10.96	-33.00
CC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020293999	1	50	-1.0	-43.94	404.46	10.94	-33.00
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294000	0	52	-1.0	-44.45	428.52	10.16	-34.29
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294000	1	52	-1.0	-44.46	428.58	10.18	-34.28
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294001	0	49	-1.0	-42.47	409.29	9.12	-33.35
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294001	1	49	-1.0	-42.48	409.24	9.09	-33.39
C(CC1=NN=C(N2CCC3(CC2)OCCO3)N1CC1CC1)C1=N[N-]N=N1	REAL300020294002	0	49	-1.0	-42.15	391.22	6.75	-35.40
C(CC1=NN=C(N2CCC3(CC2)OCCO3)N1CC1CC1)C1=NN=N[N-]1	REAL300020294002	1	49	-1.0	-42.13	391.27	6.76	-35.37
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CC2)OCCO3)N1CC1CC1	REAL300020294003	0	46	-1.0	-45.07	361.87	5.87	-39.20
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CC2)OCCO3)N1CC1CC1	REAL300020294003	1	46	-1.0	-45.03	361.92	5.90	-39.13
C(CC1=NN=C(N2CCSCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294004	0	41	-1.0	-39.39	342.43	7.68	-31.71
C(CC1=NN=C(N2CCSCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294004	1	41	-1.0	-39.42	342.49	7.70	-31.72
C(C1=NN=N[N-]1)C1=NN=C(N2CCSCC2)N1CC1CC1	REAL300020294005	0	38	-1.0	-40.35	326.09	6.68	-33.67
C(C1=N[N-]N=N1)C1=NN=C(N2CCSCC2)N1CC1CC1	REAL300020294005	1	38	-1.0	-40.31	326.04	6.65	-33.66
C1=CC(C2=NN=C(N3CCSCC3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020294006	0	45	-1.0	-41.54	366.83	9.58	-31.96
C1=CC(C2=NN=C(N3CCSCC3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020294006	1	45	-1.0	-41.51	366.87	9.57	-31.94
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C(C)C	REAL300020294007	0	45	-1.0	-40.22	348.58	6.96	-33.26
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C(C)C	REAL300020294007	1	45	-1.0	-40.21	348.63	6.97	-33.24
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C(C)C	REAL300020294008	0	49	-1.0	-41.33	374.07	8.77	-32.56
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C(C)C	REAL300020294008	1	49	-1.0	-41.29	374.11	8.76	-32.53
ClC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020294009	0	48	-1.0	-44.99	408.83	10.30	-34.69
ClC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020294009	1	48	-1.0	-45.00	408.89	10.33	-34.67
OCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294010	0	47	-1.0	-41.54	379.20	5.02	-36.52
OCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294010	1	47	-1.0	-41.49	379.26	5.03	-36.46
OCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294011	0	44	-1.0	-45.68	339.71	4.47	-41.21
OCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294011	1	44	-1.0	-45.65	339.75	4.49	-41.16
OCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020294012	0	51	-1.0	-43.40	398.01	7.06	-36.34
OCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020294012	1	51	-1.0	-43.35	398.06	7.06	-36.29
CC(C)N(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294013	0	49	-1.0	-39.89	387.74	8.70	-31.19
CC(C)N(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294013	1	49	-1.0	-39.86	387.80	8.72	-31.14
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294014	0	46	-1.0	-42.46	374.83	7.33	-35.13
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294014	1	46	-1.0	-42.46	374.77	7.30	-35.16
O=C(C1CC1)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294015	0	54	-1.0	-46.76	418.20	9.65	-37.11
O=C(C1CC1)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294015	1	54	-1.0	-46.80	418.25	9.66	-37.14
O=C(C1CC1)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294016	0	51	-1.0	-48.54	396.63	8.86	-39.68
O=C(C1CC1)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294016	1	51	-1.0	-48.58	396.69	8.90	-39.68
FC(F)(F)CN1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294017	0	51	-1.0	-42.65	399.87	7.05	-35.60
FC(F)(F)CN1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294017	1	51	-1.0	-42.64	399.93	7.06	-35.58
FC(F)(F)CN1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294018	0	48	-1.0	-42.79	379.71	6.46	-36.33
FC(F)(F)CN1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294018	1	48	-1.0	-42.77	379.76	6.49	-36.28
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294019	0	49	-1.0	-42.82	390.93	10.35	-32.47
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294019	1	49	-1.0	-42.84	390.99	10.37	-32.47
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294020	0	46	-1.0	-43.86	372.48	9.25	-34.61
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294020	1	46	-1.0	-43.84	372.42	9.22	-34.62
CC1CC1C1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)O1	REAL300020294021	0	54	-1.0	-49.44	435.03	10.71	-38.73
CC1CC1C1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)O1	REAL300020294021	1	54	-1.0	-49.45	435.09	10.72	-38.73
CC(C1=CC=CC=C1Cl)N(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294022	0	50	-1.0	-44.97	406.47	8.94	-36.03
CC(C1=CC=CC=C1Cl)N(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294022	1	50	-1.0	-44.98	406.53	8.96	-36.02
C(CC1=NN=C(N(CC2CCOC2)C2CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294023	0	51	-1.0	-40.49	401.78	7.30	-33.19
C(CC1=NN=C(N(CC2CCOC2)C2CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294023	1	51	-1.0	-40.51	401.83	7.32	-33.19
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CCOC2)C2CC2)N1CC1CC1	REAL300020294024	0	48	-1.0	-42.66	381.81	6.57	-36.09
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CCOC2)C2CC2)N1CC1CC1	REAL300020294024	1	48	-1.0	-42.70	381.87	6.59	-36.11
ClC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1	REAL300020294025	0	50	-1.0	-39.37	430.54	11.12	-28.25
ClC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020294025	1	50	-1.0	-39.37	430.60	11.13	-28.24
ClC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1	REAL300020294026	0	47	-1.0	-42.24	391.33	10.87	-31.37
ClC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020294026	1	47	-1.0	-42.27	391.37	10.89	-31.38
FC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)C(F)=C1	REAL300020294027	0	47	-1.0	-44.86	393.21	9.35	-35.51
FC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)C(F)=C1	REAL300020294027	1	47	-1.0	-44.89	393.28	9.37	-35.52
FC1=CC=CC(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2CC2)=C1	REAL300020294028	0	50	-1.0	-40.97	412.02	10.16	-30.81
FC1=CC=CC(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2CC2)=C1	REAL300020294028	1	50	-1.0	-40.95	412.08	10.17	-30.78
FC1=CC=CC(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)=C1	REAL300020294029	0	47	-1.0	-43.45	388.97	10.26	-33.19
FC1=CC=CC(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)=C1	REAL300020294029	1	47	-1.0	-43.47	388.91	10.23	-33.24
COC1=CC=CC=C1CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294030	0	54	-1.0	-42.09	431.38	9.13	-32.96
COC1=CC=CC=C1CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294030	1	54	-1.0	-42.13	431.44	9.14	-32.99
COC1=CC=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294031	0	51	-1.0	-45.22	424.94	9.31	-35.91
COC1=CC=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294031	1	51	-1.0	-45.22	424.88	9.29	-35.93
CCC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1	REAL300020294032	0	56	-1.0	-39.54	456.73	12.04	-27.50
CCC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020294032	1	56	-1.0	-39.58	456.79	12.06	-27.52
CCC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1	REAL300020294033	0	53	-1.0	-42.99	417.49	11.79	-31.20
CCC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020294033	1	53	-1.0	-42.99	417.53	11.82	-31.17
C1=CSC(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2CC2)=C1	REAL300020294034	0	47	-1.0	-41.67	390.08	9.02	-32.65
C1=CSC(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2CC2)=C1	REAL300020294034	1	47	-1.0	-41.63	390.14	9.04	-32.59
C1=CSC(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)=C1	REAL300020294035	0	44	-1.0	-43.69	373.21	8.43	-35.26
C1=CSC(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)=C1	REAL300020294035	1	44	-1.0	-43.69	373.15	8.41	-35.28
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294036	0	49	-1.0	-42.33	406.79	10.63	-31.70
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294036	1	49	-1.0	-42.31	406.84	10.65	-31.66
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294037	0	46	-1.0	-44.78	392.56	9.25	-35.53
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294037	1	46	-1.0	-44.80	392.61	9.27	-35.53
CCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294038	0	55	-1.0	-41.11	411.84	9.06	-32.05
CCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294038	1	55	-1.0	-41.15	411.90	9.08	-32.07
CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294039	0	52	-1.0	-45.06	393.61	9.30	-35.76
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294039	1	52	-1.0	-45.09	393.67	9.33	-35.76
CC1CCCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294040	0	52	-1.0	-40.92	394.56	9.30	-31.62
CC1CCCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294040	1	52	-1.0	-40.91	394.62	9.31	-31.60
CC1CCCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294041	0	49	-1.0	-45.64	362.25	8.59	-37.05
CC1CCCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294041	1	49	-1.0	-45.66	362.30	8.61	-37.05
CC1CCCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020294042	0	56	-1.0	-42.20	426.76	11.40	-30.80
CC1CCCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020294042	1	56	-1.0	-42.22	426.79	11.39	-30.83
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294043	0	49	-1.0	-38.96	403.32	10.92	-28.04
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294043	1	49	-1.0	-39.02	403.37	10.94	-28.08
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294044	0	46	-1.0	-40.32	390.09	9.91	-30.41
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294044	1	46	-1.0	-40.35	390.15	9.94	-30.41
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294045	0	46	-1.0	-40.02	377.36	8.08	-31.94
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294045	1	46	-1.0	-39.99	377.42	8.09	-31.90
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294046	0	43	-1.0	-43.58	361.27	7.00	-36.58
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294046	1	43	-1.0	-43.50	361.21	6.97	-36.53
CC(C1=CC=CO1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294047	0	50	-1.0	-41.42	411.61	9.61	-31.81
CC(C1=CC=CO1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294047	1	50	-1.0	-41.38	411.63	9.60	-31.78
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1C	REAL300020294048	0	46	-1.0	-40.36	361.82	7.32	-33.04
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1C	REAL300020294048	1	46	-1.0	-40.37	361.88	7.33	-33.04
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1C	REAL300020294049	0	43	-1.0	-47.06	340.68	7.64	-39.42
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1C	REAL300020294049	1	43	-1.0	-47.05	340.62	7.63	-39.42
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1C	REAL300020294050	0	50	-1.0	-41.76	392.83	10.07	-31.69
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1C	REAL300020294050	1	50	-1.0	-41.75	392.87	10.06	-31.69
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1(CC)CC	REAL300020294051	0	59	-1.0	-40.93	441.54	10.29	-30.64
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1(CC)CC	REAL300020294051	1	59	-1.0	-40.94	441.60	10.31	-30.63
CCNS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294052	0	51	-1.0	-50.10	419.31	3.44	-46.66
CCNS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294052	1	51	-1.0	-50.13	419.37	3.45	-46.68
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294053	0	48	-1.0	-57.37	394.02	2.88	-54.49
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294053	1	48	-1.0	-57.35	394.08	2.90	-54.45
FC(F)(F)CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294054	0	49	-1.0	-39.68	408.02	9.17	-30.51
FC(F)(F)CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294054	1	49	-1.0	-39.70	408.08	9.19	-30.51
FC(F)(F)CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294055	0	46	-1.0	-41.82	364.94	8.26	-33.56
FC(F)(F)CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294055	1	46	-1.0	-41.82	364.98	8.27	-33.55
FC(F)(F)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294056	0	49	-1.0	-42.12	392.45	9.35	-32.77
FC(F)(F)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294056	1	49	-1.0	-42.11	392.51	9.36	-32.75
FC(F)(F)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294057	0	46	-1.0	-45.60	362.98	8.76	-36.84
FC(F)(F)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294057	1	46	-1.0	-45.56	363.00	8.77	-36.79
CC1C2=CC(F)=CC(F)=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294058	0	47	-1.0	-40.79	391.57	8.98	-31.81
CC1C2=CC(F)=CC(F)=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294058	1	47	-1.0	-40.80	391.63	9.00	-31.80
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCN(S(C)(=O)=O)CC1	REAL300020294059	0	51	-1.0	-48.88	411.41	4.46	-44.42
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCN(S(C)(=O)=O)CC1	REAL300020294059	1	51	-1.0	-48.89	411.47	4.49	-44.40
C(CC1=NN=C(N2CC3CCCCCCC32)N1CC1CC1)C1=N[N-]N=N1	REAL300020294060	0	53	-1.0	-41.45	392.39	7.83	-33.62
C(CC1=NN=C(N2CC3CCCCCCC32)N1CC1CC1)C1=NN=N[N-]1	REAL300020294060	1	53	-1.0	-41.47	392.44	7.85	-33.62
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCCCCC32)N1CC1CC1	REAL300020294061	0	50	-1.0	-45.94	367.61	7.02	-38.92
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCCCCC32)N1CC1CC1	REAL300020294061	1	50	-1.0	-45.93	367.66	7.03	-38.90
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C12CCC2	REAL300020294062	0	57	-1.0	-40.19	426.34	8.91	-31.28
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C12CCC2	REAL300020294062	1	57	-1.0	-40.19	426.40	8.93	-31.26
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C12CCC2	REAL300020294063	0	54	-1.0	-46.43	407.58	8.81	-37.62
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C12CCC2	REAL300020294063	1	54	-1.0	-46.44	407.61	8.83	-37.61
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294064	0	59	-1.0	-39.65	436.53	9.92	-29.73
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294064	1	59	-1.0	-39.68	436.59	9.93	-29.75
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294065	0	56	-1.0	-40.95	419.66	9.31	-31.64
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294065	1	56	-1.0	-40.95	419.72	9.33	-31.62
FC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=C1F	REAL300020294066	0	47	-1.0	-44.17	387.20	8.84	-35.33
FC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1F	REAL300020294066	1	47	-1.0	-44.16	387.25	8.85	-35.31
FC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1F	REAL300020294067	0	44	-1.0	-43.41	358.46	8.38	-35.03
FC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1F	REAL300020294067	1	44	-1.0	-43.46	358.49	8.41	-35.05
C(CC1=NN=C(N2CCCC2CCC2CCCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294068	0	59	-1.0	-42.16	445.15	11.25	-30.91
C(CC1=NN=C(N2CCCC2CCC2CCCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294068	1	59	-1.0	-42.15	445.21	11.27	-30.88
C(CC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCCC1	REAL300020294069	0	56	-1.0	-48.31	425.91	9.99	-38.32
C(CC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCCC1	REAL300020294069	1	56	-1.0	-48.29	425.96	10.00	-38.29
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CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294072	1	49	-1.0	-40.71	400.80	10.06	-30.65
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294073	0	46	-1.0	-44.81	376.62	9.65	-35.16
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294073	1	46	-1.0	-44.78	376.67	9.66	-35.12
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ClC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294074	1	50	-1.0	-42.10	414.96	11.50	-30.60
ClC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294075	0	47	-1.0	-47.86	392.21	11.06	-36.80
ClC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294075	1	47	-1.0	-47.86	392.27	11.07	-36.79
ClC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294076	0	50	-1.0	-41.15	420.54	11.55	-29.60
ClC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294076	1	50	-1.0	-41.20	420.60	11.57	-29.63
ClC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294077	0	47	-1.0	-42.06	378.33	9.49	-32.57
ClC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294077	1	47	-1.0	-42.06	378.37	9.50	-32.56
ClC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294078	0	50	-1.0	-41.40	408.15	10.00	-31.40
ClC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294078	1	50	-1.0	-41.45	408.21	10.02	-31.43
ClC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294079	0	47	-1.0	-43.83	386.51	9.17	-34.66
ClC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294079	1	47	-1.0	-43.76	386.57	9.20	-34.56
C(CC1=NN=C(N2CCCC2C2CCCCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294080	0	56	-1.0	-41.12	404.53	9.55	-31.57
C(CC1=NN=C(N2CCCC2C2CCCCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294080	1	56	-1.0	-41.10	404.59	9.56	-31.54
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCCCC2)N1CC1CC1	REAL300020294081	0	53	-1.0	-43.96	398.23	10.31	-33.65
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2CCCCC2)N1CC1CC1	REAL300020294081	1	53	-1.0	-43.97	398.29	10.34	-33.63
CC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294082	0	53	-1.0	-42.63	418.42	11.94	-30.69
CC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294082	1	53	-1.0	-42.64	418.48	11.95	-30.69
CC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294083	0	50	-1.0	-43.92	396.99	11.18	-32.74
CC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294083	1	50	-1.0	-43.95	396.93	11.15	-32.80
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294084	0	53	-1.0	-42.95	423.51	11.87	-31.08
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294084	1	53	-1.0	-42.96	423.57	11.88	-31.08
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294085	0	50	-1.0	-44.35	405.54	11.04	-33.31
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294085	1	50	-1.0	-44.40	405.49	11.02	-33.38
C1=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=CS1	REAL300020294086	0	47	-1.0	-41.50	392.60	9.72	-31.78
C1=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=CS1	REAL300020294086	1	47	-1.0	-41.45	392.66	9.73	-31.72
C1=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=CS1	REAL300020294087	0	44	-1.0	-43.46	371.81	9.20	-34.26
C1=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=CS1	REAL300020294087	1	44	-1.0	-43.50	371.75	9.17	-34.33
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294088	0	52	-1.0	-40.82	413.65	9.96	-30.86
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294088	1	52	-1.0	-40.78	413.70	9.97	-30.81
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294089	0	49	-1.0	-43.00	376.67	9.75	-33.25
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294089	1	49	-1.0	-42.95	376.61	9.73	-33.22
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294090	0	52	-1.0	-43.95	413.64	9.24	-34.71
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294090	1	52	-1.0	-43.94	413.70	9.26	-34.68
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294091	0	49	-1.0	-48.25	389.43	8.61	-39.64
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294091	1	49	-1.0	-48.27	389.38	8.59	-39.68
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294092	0	52	-1.0	-39.61	419.47	10.77	-28.84
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294092	1	52	-1.0	-39.63	419.52	10.79	-28.84
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294093	0	49	-1.0	-43.73	391.19	10.47	-33.26
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294093	1	49	-1.0	-43.74	391.13	10.44	-33.30
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294094	0	49	-1.0	-40.07	405.51	10.93	-29.14
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294094	1	49	-1.0	-40.05	405.56	10.95	-29.10
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294095	0	46	-1.0	-43.68	392.39	9.25	-34.43
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294095	1	46	-1.0	-43.65	392.46	9.26	-34.39
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294096	0	49	-1.0	-40.45	416.39	9.97	-30.48
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294096	1	49	-1.0	-40.42	416.45	9.98	-30.44
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294097	0	46	-1.0	-41.02	391.52	10.02	-31.00
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294097	1	46	-1.0	-41.01	391.58	10.04	-30.97
O=[N+]([O-])C1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1	REAL300020294098	0	49	-1.0	-44.28	402.82	11.02	-33.26
O=[N+]([O-])C1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020294098	1	49	-1.0	-44.30	402.85	11.04	-33.26
O=[N+]([O-])C1=CC=CC(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)=C1	REAL300020294099	0	49	-1.0	-46.52	410.72	10.83	-35.69
O=[N+]([O-])C1=CC=CC(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)=C1	REAL300020294099	1	49	-1.0	-46.50	410.78	10.86	-35.64
O=[N+]([O-])C1=CC=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294100	0	49	-1.0	-44.32	407.30	9.98	-34.34
O=[N+]([O-])C1=CC=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294100	1	49	-1.0	-44.34	407.36	10.00	-34.34
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C(C)C	REAL300020294101	0	54	-1.0	-40.06	409.69	9.99	-30.07
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C(C)C	REAL300020294101	1	54	-1.0	-40.07	409.75	10.01	-30.06
CCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C(C)C	REAL300020294102	0	51	-1.0	-43.52	383.25	9.11	-34.41
CCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C(C)C	REAL300020294102	1	51	-1.0	-43.54	383.31	9.13	-34.41
CCCCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C(C)C	REAL300020294103	0	58	-1.0	-40.95	438.57	11.08	-29.87
CCCCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C(C)C	REAL300020294103	1	58	-1.0	-40.94	438.61	11.07	-29.87
CC(C)N(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294104	0	49	-1.0	-42.42	386.93	10.19	-32.23
CC(C)N(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294104	1	49	-1.0	-42.42	387.00	10.20	-32.22
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294105	0	49	-1.0	-41.67	405.49	10.94	-30.73
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294105	1	49	-1.0	-41.64	405.55	10.96	-30.68
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294106	0	46	-1.0	-43.67	392.39	9.26	-34.41
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294106	1	46	-1.0	-43.68	392.46	9.28	-34.40
CC(C)N(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294107	0	49	-1.0	-39.57	391.02	9.57	-30.00
CC(C)N(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294107	1	49	-1.0	-39.62	391.08	9.58	-30.04
CC(C)N(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294108	0	46	-1.0	-46.32	377.16	7.88	-38.44
CC(C)N(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294108	1	46	-1.0	-46.31	377.11	7.86	-38.45
CN(CC(=O)N1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294109	0	51	-1.0	-40.98	411.72	5.74	-35.24
CN(CC(=O)N1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294109	1	51	-1.0	-40.98	411.78	5.76	-35.22
CN(CC(=O)N1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294110	0	48	-1.0	-43.36	390.66	4.97	-38.39
CN(CC(=O)N1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294110	1	48	-1.0	-43.39	390.72	4.99	-38.40
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCS(=O)(=O)C1	REAL300020294111	0	46	-1.0	-51.72	369.84	4.17	-47.55
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCS(=O)(=O)C1	REAL300020294111	1	46	-1.0	-51.69	369.90	4.18	-47.51
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCS(=O)(=O)C1	REAL300020294112	0	43	-1.0	-47.08	358.10	3.46	-43.62
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCS(=O)(=O)C1	REAL300020294112	1	43	-1.0	-47.03	358.16	3.49	-43.54
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294113	0	53	-1.0	-42.12	433.18	8.78	-33.34
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294113	1	53	-1.0	-42.14	433.24	8.79	-33.35
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294114	0	50	-1.0	-43.28	411.69	7.99	-35.29
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294114	1	50	-1.0	-43.28	411.74	8.02	-35.26
COC1=CC2=C(C=C1OC)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020294115	0	52	-1.0	-45.92	404.86	8.48	-37.44
COC1=CC2=C(C=C1OC)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020294115	1	52	-1.0	-45.89	404.91	8.49	-37.40
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CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294143	0	52	-1.0	-47.22	426.23	10.63	-36.59
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294143	1	52	-1.0	-47.26	426.29	10.65	-36.61
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CC(C)(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294146	0	58	-1.0	-39.12	427.52	10.37	-28.75
CC(C)(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294146	1	58	-1.0	-39.16	427.57	10.39	-28.77
CC(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294147	0	55	-1.0	-41.07	408.93	9.69	-31.38
CC(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294147	1	55	-1.0	-41.02	408.98	9.72	-31.30
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294148	0	55	-1.0	-39.41	413.77	10.17	-29.24
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294148	1	55	-1.0	-39.44	413.83	10.18	-29.26
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294149	0	52	-1.0	-41.58	393.86	9.25	-32.33
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294149	1	52	-1.0	-41.59	393.91	9.28	-32.31
C#CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294150	0	41	-1.0	-39.53	349.65	6.82	-32.71
C#CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294150	1	41	-1.0	-39.55	349.71	6.84	-32.71
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294151	0	45	-1.0	-41.16	371.17	8.56	-32.60
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294151	1	45	-1.0	-41.15	371.21	8.54	-32.61
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294152	0	57	0.0	-66.71	430.04	7.16	-59.55
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294152	1	57	0.0	-67.48	411.50	7.67	-59.81
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294152	1	57	0.0	-66.75	430.10	7.18	-59.57
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294152	1	57	0.0	-67.50	411.55	7.68	-59.82
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COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020294153	1	51	-1.0	-44.74	404.92	8.23	-36.51
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020294154	0	48	-1.0	-44.67	391.20	8.43	-36.24
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020294154	1	48	-1.0	-44.64	391.14	8.40	-36.24
CC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294155	0	52	-1.0	-39.02	387.02	9.04	-29.98
CC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294155	1	52	-1.0	-39.04	387.08	9.06	-29.98
CC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294156	0	49	-1.0	-45.21	352.71	8.44	-36.77
CC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294156	1	49	-1.0	-45.25	352.76	8.46	-36.79
CC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020294157	0	56	-1.0	-41.05	411.83	11.21	-29.84
CC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020294157	1	56	-1.0	-40.98	411.92	11.19	-29.79
CC1=NSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020294158	0	47	-1.0	-43.06	400.57	6.16	-36.90
CC1=NSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020294158	1	47	-1.0	-43.07	400.63	6.18	-36.89
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294159	0	56	-1.0	-42.55	440.59	10.68	-31.87
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294159	1	56	-1.0	-42.55	440.65	10.70	-31.85
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294160	0	56	-1.0	-41.09	441.31	11.89	-29.20
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294160	1	56	-1.0	-41.08	441.36	11.90	-29.18
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294161	0	53	-1.0	-45.24	413.71	11.23	-34.01
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CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294163	0	50	-1.0	-42.10	397.34	10.31	-31.79
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294163	1	50	-1.0	-42.11	397.40	10.34	-31.77
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CC1=CC=C(C)C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294165	0	56	-1.0	-41.23	443.84	12.25	-28.98
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294165	1	56	-1.0	-41.25	443.90	12.27	-28.98
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294166	0	53	-1.0	-45.16	421.96	11.42	-33.74
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294166	1	53	-1.0	-45.19	421.90	11.39	-33.80
C(CC1=NN=C(N2CCCC3(CCCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294167	0	59	-1.0	-39.13	428.12	10.76	-28.37
C(CC1=NN=C(N2CCCC3(CCCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294167	1	59	-1.0	-39.16	428.18	10.77	-28.39
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCCC3)CC2)N1CC1CC1	REAL300020294168	0	56	-1.0	-41.82	406.65	10.23	-31.59
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCCC3)CC2)N1CC1CC1	REAL300020294168	1	56	-1.0	-41.85	406.71	10.26	-31.59
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294169	0	47	-1.0	-41.78	379.60	9.68	-32.10
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294169	1	47	-1.0	-41.80	379.66	9.70	-32.10
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294170	0	44	-1.0	-45.87	353.24	9.21	-36.66
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294170	1	44	-1.0	-45.87	353.20	9.19	-36.68
CC1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294171	0	51	-1.0	-42.76	411.80	11.73	-31.03
CC1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294171	1	51	-1.0	-42.78	411.84	11.72	-31.06
CN(CCCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294172	0	49	-1.0	-42.47	389.47	5.47	-37.00
CN(CCCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294172	1	49	-1.0	-42.47	389.53	5.49	-36.98
CN(CCCCCO)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294173	0	46	-1.0	-43.18	373.64	4.79	-38.39
CN(CCCCCO)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294173	1	46	-1.0	-43.17	373.70	4.82	-38.35
CN(CCCCCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294174	0	53	-1.0	-44.11	413.54	7.27	-36.84
CN(CCCCCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294174	1	53	-1.0	-44.07	413.58	7.25	-36.82
COCCN(CC1=CC=C(C)O1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294175	0	53	-1.0	-41.55	428.02	8.33	-33.22
COCCN(CC1=CC=C(C)O1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294175	1	53	-1.0	-41.58	428.08	8.34	-33.24
COCCN(CC1=CC=C(C)O1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294176	0	50	-1.0	-42.24	414.67	7.41	-34.83
COCCN(CC1=CC=C(C)O1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294176	1	50	-1.0	-42.23	414.72	7.42	-34.81
C1=CC=C(C2=CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020294177	0	51	-1.0	-43.44	403.01	9.92	-33.52
C1=CC=C(C2=CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020294177	1	51	-1.0	-43.46	403.06	9.93	-33.53
C1=CC=C(C2=CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020294178	0	48	-1.0	-47.16	373.72	9.32	-37.84
C1=CC=C(C2=CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020294178	1	48	-1.0	-47.16	373.68	9.30	-37.86
CC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294179	0	49	-1.0	-40.68	381.83	7.88	-32.80
CC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294179	1	49	-1.0	-40.62	381.89	7.90	-32.72
CC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294180	0	46	-1.0	-44.99	359.88	7.59	-37.40
CC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294180	1	46	-1.0	-44.88	359.81	7.58	-37.30
CC1CCC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020294181	0	53	-1.0	-41.60	410.73	9.96	-31.64
CC1CCC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020294181	1	53	-1.0	-41.59	410.85	9.94	-31.65
CC1C2=CC=CC=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294182	0	50	-1.0	-41.58	384.81	10.22	-31.36
CC1C2=CC=CC=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294182	1	50	-1.0	-41.54	384.87	10.24	-31.30
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294183	0	47	-1.0	-44.41	371.43	8.57	-35.84
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294183	1	47	-1.0	-44.38	371.37	8.55	-35.83
C1=CC=C(CCCC2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294184	0	56	-1.0	-47.36	441.91	11.11	-36.25
C1=CC=C(CCCC2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294184	1	56	-1.0	-47.41	441.97	11.13	-36.28
C(CC1=NN=C(N2CCCC2CCC2CCCCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294185	0	62	-1.0	-42.30	460.67	11.80	-30.50
C(CC1=NN=C(N2CCCC2CCC2CCCCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294185	1	62	-1.0	-42.30	460.72	11.81	-30.49
C(CC1CCCCC1)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294186	0	59	-1.0	-43.07	443.78	10.56	-32.51
C(CC1CCCCC1)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294186	1	59	-1.0	-43.10	443.84	10.59	-32.51
COC(=O)C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020294187	0	50	-1.0	-47.80	400.91	9.93	-37.87
COC(=O)C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294187	1	50	-1.0	-47.75	400.97	9.94	-37.81
CC(=O)NC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294188	0	56	-1.0	-48.13	435.09	7.11	-41.02
CC(=O)NC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294188	1	56	-1.0	-48.15	435.15	7.13	-41.02
CC(=O)NC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294189	0	53	-1.0	-51.85	414.19	6.38	-45.47
CC(=O)NC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294189	1	53	-1.0	-51.94	414.25	6.40	-45.54
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294190	0	47	-1.0	-41.04	383.18	8.83	-32.21
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294190	1	47	-1.0	-41.04	383.23	8.84	-32.20
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294191	0	44	-1.0	-44.98	344.13	7.88	-37.10
C=CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294191	1	44	-1.0	-44.99	344.09	7.87	-37.12
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294192	0	51	-1.0	-41.15	418.86	11.16	-29.99
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294192	1	51	-1.0	-41.17	418.91	11.15	-30.02
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294193	0	50	-1.0	-42.53	419.41	9.53	-33.00
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294193	1	50	-1.0	-42.51	419.47	9.55	-32.96
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294194	0	47	-1.0	-48.84	389.63	8.32	-40.52
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294194	1	47	-1.0	-48.85	389.58	8.31	-40.54
CC1CN(C2=CC=CC=C2F)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294195	0	52	-1.0	-47.12	402.68	8.93	-38.19
CC1CN(C2=CC=CC=C2F)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294195	1	52	-1.0	-47.10	402.72	8.96	-38.14
CN1C=NN=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294196	0	49	-1.0	-53.20	380.17	9.00	-44.20
CN1C=NN=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294196	1	49	-1.0	-53.25	380.23	9.02	-44.23
CN1C=NN=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294197	0	46	-1.0	-55.02	356.77	8.23	-46.79
CN1C=NN=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294197	1	46	-1.0	-55.00	356.72	8.21	-46.79
FC1=CC=CN=C1N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294198	0	51	-1.0	-46.80	401.79	8.02	-38.78
FC1=CC=CN=C1N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294198	1	51	-1.0	-46.79	401.73	8.00	-38.79
CC12CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC1C2(Cl)Cl	REAL300020294199	0	47	-1.0	-39.49	382.70	8.95	-30.54
CC12CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC1C2(Cl)Cl	REAL300020294199	1	47	-1.0	-39.51	382.76	8.96	-30.55
CC12CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC1C2(Cl)Cl	REAL300020294200	0	44	-1.0	-45.32	376.58	8.95	-36.37
CC12CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC1C2(Cl)Cl	REAL300020294200	1	44	-1.0	-45.30	376.64	8.97	-36.33
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294201	0	51	-1.0	-51.58	414.49	10.65	-40.93
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294201	1	51	-1.0	-51.59	414.55	10.67	-40.92
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294202	0	48	-1.0	-50.35	399.27	9.65	-40.70
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294202	1	48	-1.0	-50.32	399.33	9.67	-40.65
C1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294203	0	44	-1.0	-45.67	352.89	11.43	-34.24
C1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294203	1	44	-1.0	-45.67	352.95	11.45	-34.22
C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294204	0	41	-1.0	-48.20	331.44	10.66	-37.54
C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294204	1	41	-1.0	-48.19	331.39	10.64	-37.55
C1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294205	0	48	-1.0	-46.72	380.68	13.32	-33.40
C1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294205	1	48	-1.0	-46.66	380.71	13.31	-33.35
CC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294206	0	46	-1.0	-41.84	381.92	10.55	-31.29
CC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294206	1	46	-1.0	-41.86	381.98	10.56	-31.30
CC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294207	0	43	-1.0	-47.71	358.20	9.68	-38.03
CC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294207	1	43	-1.0	-47.71	358.15	9.65	-38.06
CC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C=C1	REAL300020294208	0	50	-1.0	-43.16	405.72	12.32	-30.84
CC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C=C1	REAL300020294208	1	50	-1.0	-43.19	405.77	12.31	-30.88
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294209	0	46	-1.0	-41.70	381.92	10.54	-31.16
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294209	1	46	-1.0	-41.68	381.97	10.55	-31.13
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294210	0	43	-1.0	-47.30	358.20	9.67	-37.63
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294210	1	43	-1.0	-47.34	358.15	9.64	-37.70
CC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)=C1	REAL300020294211	0	50	-1.0	-43.30	404.66	12.23	-31.07
CC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)=C1	REAL300020294211	1	50	-1.0	-43.27	404.69	12.22	-31.05
CC1=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=CC(C)=C1	REAL300020294212	0	49	-1.0	-42.00	399.04	10.99	-31.01
CC1=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=CC(C)=C1	REAL300020294212	1	49	-1.0	-42.00	399.08	11.00	-31.00
CC1=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=CC(C)=C1	REAL300020294213	0	46	-1.0	-45.10	378.28	10.30	-34.80
CC1=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=CC(C)=C1	REAL300020294213	1	46	-1.0	-45.07	378.23	10.28	-34.79
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1C	REAL300020294214	0	49	-1.0	-44.33	382.45	12.09	-32.24
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1C	REAL300020294214	1	49	-1.0	-44.36	382.51	12.11	-32.25
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1C	REAL300020294215	0	46	-1.0	-43.83	378.00	11.56	-32.27
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1C	REAL300020294215	1	46	-1.0	-43.82	377.94	11.54	-32.28
CC(C)C1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294216	0	52	-1.0	-41.20	420.71	11.78	-29.42
CC(C)C1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294216	1	52	-1.0	-41.21	420.77	11.79	-29.42
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294217	0	49	-1.0	-46.69	397.00	10.91	-35.78
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294217	1	49	-1.0	-46.72	396.94	10.89	-35.83
CC(C)(C)C1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294218	0	56	-1.0	-45.07	429.67	13.73	-31.34
CC(C)(C)C1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294218	1	56	-1.0	-45.06	429.73	13.75	-31.31
CC(C)(C)C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294219	0	53	-1.0	-49.38	404.74	13.20	-36.18
CC(C)(C)C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294219	1	53	-1.0	-49.41	404.69	13.19	-36.22
CC1=CC2=C(C=C1C)N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020294220	0	50	-1.0	-45.80	392.53	12.63	-33.17
CC1=CC2=C(C=C1C)N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020294220	1	50	-1.0	-45.81	392.59	12.64	-33.17
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020294221	0	47	-1.0	-50.18	367.59	12.11	-38.07
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020294221	1	47	-1.0	-50.19	367.55	12.08	-38.11
C1=CC=C2C(=C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC21CCCC1	REAL300020294222	0	54	-1.0	-43.77	418.01	13.75	-30.02
C1=CC=C2C(=C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC21CCCC1	REAL300020294222	1	54	-1.0	-43.72	418.07	13.76	-29.96
C1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC21CCCC1	REAL300020294223	0	51	-1.0	-47.12	392.71	12.87	-34.25
C1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC21CCCC1	REAL300020294223	1	51	-1.0	-47.11	392.66	12.84	-34.27
CCC1(CC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C21	REAL300020294224	0	56	-1.0	-45.06	420.46	13.34	-31.72
CCC1(CC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C21	REAL300020294224	1	56	-1.0	-45.05	420.52	13.36	-31.69
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C21	REAL300020294225	0	53	-1.0	-49.85	398.81	12.81	-37.04
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C21	REAL300020294225	1	53	-1.0	-49.82	398.75	12.79	-37.03
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294226	0	47	-1.0	-45.73	374.30	12.10	-33.63
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294226	1	47	-1.0	-45.71	374.36	12.12	-33.59
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294227	0	44	-1.0	-47.68	356.34	11.40	-36.28
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294227	1	44	-1.0	-47.66	356.28	11.38	-36.28
CC1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294228	0	51	-1.0	-46.65	402.12	13.99	-32.66
CC1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294228	1	51	-1.0	-46.62	402.15	13.97	-32.65
C1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C3=CC=CC=C32)C=C1	REAL300020294229	0	51	-1.0	-49.13	405.32	14.22	-34.91
C1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C3=CC=CC=C32)C=C1	REAL300020294229	1	51	-1.0	-49.13	405.26	14.20	-34.93
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C21	REAL300020294230	0	53	-1.0	-44.58	405.63	13.00	-31.58
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C21	REAL300020294230	1	53	-1.0	-44.64	405.69	13.01	-31.63
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C21	REAL300020294231	0	50	-1.0	-49.28	379.44	12.31	-36.97
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C21	REAL300020294231	1	50	-1.0	-49.24	379.37	12.29	-36.95
CC(C)C1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294232	0	52	-1.0	-42.03	416.59	11.63	-30.40
CC(C)C1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294232	1	52	-1.0	-42.04	416.64	11.65	-30.39
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294233	0	49	-1.0	-47.94	396.99	10.92	-37.02
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294233	1	49	-1.0	-47.87	396.93	10.90	-36.97
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C1=CC=C(C2=CC=CC3=C2CCN3C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294234	1	51	-1.0	-48.77	405.82	14.33	-34.44
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C1=CC=C2C(=C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC21CC1	REAL300020294235	1	48	-1.0	-45.16	384.90	12.78	-32.38
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C1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC21CC1	REAL300020294236	1	45	-1.0	-50.15	358.57	12.04	-38.11
COC1=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=CC(OC)=C1	REAL300020294237	0	51	-1.0	-44.68	415.18	8.25	-36.43
COC1=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=CC(OC)=C1	REAL300020294237	1	51	-1.0	-44.71	415.22	8.27	-36.44
COC1=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=CC(OC)=C1	REAL300020294238	0	48	-1.0	-47.44	394.42	7.57	-39.87
COC1=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=CC(OC)=C1	REAL300020294238	1	48	-1.0	-47.45	394.36	7.56	-39.89
C1=CC=C2C(=C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC21CCC1	REAL300020294239	0	51	-1.0	-44.72	399.72	13.19	-31.53
C1=CC=C2C(=C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC21CCC1	REAL300020294239	1	51	-1.0	-44.73	399.78	13.21	-31.52
C1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC21CCC1	REAL300020294240	0	48	-1.0	-49.73	373.50	12.48	-37.25
C1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC21CCC1	REAL300020294240	1	48	-1.0	-49.71	373.44	12.47	-37.24
CC(C)(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C21	REAL300020294241	0	56	-1.0	-44.59	420.56	13.29	-31.30
CC(C)(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C21	REAL300020294241	1	56	-1.0	-44.58	420.62	13.30	-31.28
CC(C)(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C21	REAL300020294242	0	53	-1.0	-46.53	402.93	12.60	-33.93
CC(C)(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C21	REAL300020294242	1	53	-1.0	-46.51	402.87	12.57	-33.94
CC(C)OC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294243	0	53	-1.0	-43.29	430.00	10.70	-32.59
CC(C)OC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294243	1	53	-1.0	-43.27	430.06	10.72	-32.55
CC(C)OC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294244	0	50	-1.0	-47.18	408.95	9.99	-37.19
CC(C)OC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294244	1	50	-1.0	-47.14	408.90	9.96	-37.18
OCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294245	0	53	-1.0	-42.60	409.69	6.48	-36.12
OCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294245	1	53	-1.0	-42.60	409.75	6.49	-36.11
OCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294246	0	50	-1.0	-46.02	380.20	5.87	-40.15
OCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294246	1	50	-1.0	-46.04	380.24	5.89	-40.15
ClC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020294247	0	47	-1.0	-40.27	392.23	10.39	-29.88
ClC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020294247	1	47	-1.0	-40.27	392.29	10.41	-29.86
ClC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020294248	0	44	-1.0	-42.22	362.83	9.79	-32.43
ClC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020294248	1	44	-1.0	-42.21	362.88	9.81	-32.40
FC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020294249	0	47	-1.0	-40.79	381.91	9.95	-30.84
FC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020294249	1	47	-1.0	-40.79	381.97	9.97	-30.82
FC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020294250	0	44	-1.0	-42.55	352.56	9.37	-33.18
FC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020294250	1	44	-1.0	-42.51	352.50	9.35	-33.16
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=O)C=C1	REAL300020294251	0	51	-1.0	-52.48	408.24	8.40	-44.08
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=O)C=C1	REAL300020294251	1	51	-1.0	-52.49	408.29	8.44	-44.05
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2=CC=CC=C21	REAL300020294252	0	53	-1.0	-39.98	416.38	10.76	-29.22
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2=CC=CC=C21	REAL300020294252	1	53	-1.0	-40.07	416.44	10.77	-29.30
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2=CC=CC=C21	REAL300020294253	0	50	-1.0	-43.98	390.59	10.25	-33.73
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2=CC=CC=C21	REAL300020294253	1	50	-1.0	-43.99	390.53	10.23	-33.76
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=N1	REAL300020294254	0	46	-1.0	-41.48	373.50	7.46	-34.02
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=N1	REAL300020294254	1	46	-1.0	-41.47	373.56	7.48	-33.99
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=N1	REAL300020294255	0	43	-1.0	-43.08	360.85	6.65	-36.43
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=N1	REAL300020294255	1	43	-1.0	-43.11	360.80	6.62	-36.49
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCC1	REAL300020294256	0	43	-1.0	-40.74	347.47	7.98	-32.76
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCC1	REAL300020294256	1	43	-1.0	-40.70	347.52	7.99	-32.71
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CCC1	REAL300020294257	0	47	-1.0	-42.73	365.71	9.56	-33.17
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CCC1	REAL300020294257	1	47	-1.0	-42.73	365.74	9.54	-33.19
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCS(=O)(=O)CC1	REAL300020294258	0	49	-1.0	-47.14	392.71	5.02	-42.12
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCS(=O)(=O)CC1	REAL300020294258	1	49	-1.0	-47.18	392.77	5.03	-42.15
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCS(=O)(=O)CC1	REAL300020294259	0	46	-1.0	-51.08	372.46	3.61	-47.47
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCS(=O)(=O)CC1	REAL300020294259	1	46	-1.0	-51.05	372.52	3.63	-47.42
C1=CC=C2C(=C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC21CCC1	REAL300020294260	0	54	-1.0	-41.05	417.31	11.41	-29.64
C1=CC=C2C(=C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC21CCC1	REAL300020294260	1	54	-1.0	-40.98	417.37	11.43	-29.55
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC21CCC1	REAL300020294261	0	51	-1.0	-44.01	387.96	10.83	-33.18
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC21CCC1	REAL300020294261	1	51	-1.0	-44.00	387.90	10.81	-33.19
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2CCCCC12	REAL300020294262	0	53	-1.0	-41.08	405.46	9.81	-31.27
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2CCCCC12	REAL300020294262	1	53	-1.0	-41.06	405.52	9.82	-31.24
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CCCCC12	REAL300020294263	0	50	-1.0	-45.21	382.08	8.92	-36.29
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CCCCC12	REAL300020294263	1	50	-1.0	-45.22	382.14	8.94	-36.28
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294264	0	53	-1.0	-42.60	413.18	10.46	-32.14
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294264	1	53	-1.0	-42.60	413.23	10.47	-32.13
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294265	0	50	-1.0	-43.95	397.92	9.39	-34.56
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294265	1	50	-1.0	-43.97	397.98	9.42	-34.55
FC1=CC=C(CN(CC2CC2)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294266	0	53	-1.0	-40.39	422.43	11.55	-28.84
FC1=CC=C(CN(CC2CC2)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294266	1	53	-1.0	-40.41	422.49	11.57	-28.84
FC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294267	0	50	-1.0	-41.06	418.91	11.04	-30.02
FC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294267	1	50	-1.0	-41.04	418.97	11.06	-29.98
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294268	0	55	-1.0	-42.28	408.08	10.03	-32.25
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294268	1	55	-1.0	-42.33	408.14	10.05	-32.28
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294269	0	52	-1.0	-44.81	382.73	9.98	-34.83
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294269	1	52	-1.0	-44.82	382.78	10.00	-34.82
CC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294270	0	44	-1.0	-40.31	350.01	8.27	-32.04
CC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294270	1	44	-1.0	-40.35	350.06	8.28	-32.07
CC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294271	0	41	-1.0	-43.18	320.66	7.68	-35.50
CC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294271	1	41	-1.0	-43.16	320.61	7.67	-35.49
CC1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020294272	0	48	-1.0	-42.12	383.11	9.70	-32.42
CC1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020294272	1	48	-1.0	-42.08	383.15	9.69	-32.39
CC1SCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1C	REAL300020294273	0	47	-1.0	-39.51	380.52	7.51	-32.00
CC1SCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1C	REAL300020294273	1	47	-1.0	-39.49	380.58	7.52	-31.97
CC1SCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1C	REAL300020294274	0	44	-1.0	-40.32	354.42	7.73	-32.59
CC1SCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1C	REAL300020294274	1	44	-1.0	-40.28	354.48	7.75	-32.53
CC1SCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1C	REAL300020294275	0	51	-1.0	-40.89	402.94	9.57	-31.32
CC1SCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1C	REAL300020294275	1	51	-1.0	-40.84	402.97	9.55	-31.29
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294276	0	46	-1.0	-39.82	377.34	8.47	-31.35
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294276	1	46	-1.0	-39.82	377.40	8.48	-31.34
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294277	0	43	-1.0	-43.54	328.98	7.15	-36.39
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294277	1	43	-1.0	-43.54	328.94	7.14	-36.40
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294278	0	50	-1.0	-42.18	395.53	10.01	-32.17
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294278	1	50	-1.0	-42.20	395.57	10.00	-32.20
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCC(C)(C)CC1	REAL300020294279	0	55	-1.0	-40.17	409.41	9.67	-30.50
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCC(C)(C)CC1	REAL300020294279	1	55	-1.0	-40.18	409.47	9.69	-30.49
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCC(C)(C)CC1	REAL300020294280	0	52	-1.0	-41.87	390.42	8.95	-32.92
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCC(C)(C)CC1	REAL300020294280	1	52	-1.0	-41.88	390.48	8.98	-32.90
C#CCN(CC#CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294281	0	43	-1.0	-39.95	379.57	9.07	-30.88
C#CCN(CC#CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294281	1	43	-1.0	-39.93	379.62	9.09	-30.84
C#CCN(CC#CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294282	0	40	-1.0	-44.22	356.17	8.37	-35.85
C#CCN(CC#CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294282	1	40	-1.0	-44.25	356.12	8.34	-35.91
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294283	0	47	-1.0	-43.34	384.11	10.64	-32.70
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294283	1	47	-1.0	-43.32	384.91	10.66	-32.66
CC1=C(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294284	0	47	-1.0	-40.40	367.23	8.82	-31.58
CC1=C(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294284	1	47	-1.0	-40.44	367.29	8.83	-31.61
CC1=C(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294285	0	44	-1.0	-43.40	337.92	8.24	-35.16
CC1=C(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294285	1	44	-1.0	-43.37	337.87	8.22	-35.15
CC1=C(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020294286	0	51	-1.0	-41.89	393.45	10.08	-31.81
CC1=C(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020294286	1	51	-1.0	-41.87	393.47	10.07	-31.80
CCN(CC1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294287	0	49	-1.0	-40.08	386.32	8.75	-31.33
CCN(CC1CCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294287	1	49	-1.0	-40.09	386.38	8.77	-31.32
CCN(CC1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294288	0	46	-1.0	-45.10	367.94	8.32	-36.78
CCN(CC1CCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294288	1	46	-1.0	-45.05	367.99	8.34	-36.71
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294289	0	53	-1.0	-42.47	411.09	11.02	-31.45
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294289	1	53	-1.0	-42.40	411.14	11.01	-31.39
C(CC1=NN=C(N2CC3C2C2CCC3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294290	0	48	-1.0	-41.91	350.40	7.19	-34.72
C(CC1=NN=C(N2CC3C2C2CCC3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294290	1	48	-1.0	-41.83	350.45	7.21	-34.62
C(C1=N[N-]N=N1)C1=NN=C(N2CC3C2C2CCC3C2)N1CC1CC1	REAL300020294291	0	45	-1.0	-45.09	329.07	6.40	-38.69
C(C1=NN=N[N-]1)C1=NN=C(N2CC3C2C2CCC3C2)N1CC1CC1	REAL300020294291	1	45	-1.0	-45.10	329.13	6.43	-38.67
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C1=CC(C2=NN=C(N3CC4C3C3CCC4C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020294292	1	52	-1.0	-43.66	375.28	9.01	-34.65
CSCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294293	0	43	-1.0	-42.37	358.30	7.70	-34.67
CSCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294293	1	43	-1.0	-42.34	358.35	7.71	-34.63
CSCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294294	0	40	-1.0	-42.98	342.47	7.03	-35.95
CSCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294294	1	40	-1.0	-43.01	342.52	7.05	-35.96
CSCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294295	0	47	-1.0	-43.90	392.31	9.77	-34.13
CSCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294295	1	47	-1.0	-43.86	392.33	9.76	-34.10
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCCN(C2=CC=CC=C2)C1	REAL300020294296	0	55	-1.0	-45.58	422.97	8.96	-36.62
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCCN(C2=CC=CC=C2)C1	REAL300020294296	1	55	-1.0	-45.58	423.03	8.98	-36.60
CC1=CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)S1	REAL300020294297	0	48	-1.0	-42.07	405.66	6.99	-35.08
CC1=CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)S1	REAL300020294297	1	48	-1.0	-42.02	405.60	6.98	-35.04
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COC1=CC=CC(C2CC(C)CN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294298	1	54	-1.0	-46.94	431.28	10.37	-36.57
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294299	0	53	-1.0	-40.21	413.43	9.86	-30.35
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294299	1	53	-1.0	-40.20	413.49	9.88	-30.32
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294300	0	50	-1.0	-41.20	394.99	9.16	-32.04
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294300	1	50	-1.0	-41.21	395.04	9.19	-32.02
CC(CC1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294301	0	49	-1.0	-47.24	407.03	10.23	-37.01
CC(CC1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294301	1	49	-1.0	-47.22	407.08	10.26	-36.96
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294302	0	52	-1.0	-39.43	395.49	9.47	-29.96
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294302	1	52	-1.0	-39.42	395.54	9.48	-29.94
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294303	0	49	-1.0	-41.44	376.89	8.79	-32.65
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294303	1	49	-1.0	-41.46	376.95	8.82	-32.64
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020294304	0	56	-1.0	-41.63	417.61	11.69	-29.94
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020294304	1	56	-1.0	-41.63	417.65	11.69	-29.94
CSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294305	0	50	-1.0	-41.19	401.24	9.36	-31.83
CSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294305	1	50	-1.0	-41.20	401.30	9.37	-31.83
CSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294306	0	47	-1.0	-43.20	377.09	8.90	-34.30
CSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294306	1	47	-1.0	-43.21	377.15	8.92	-34.29
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC(C)C2=C1	REAL300020294307	0	54	-1.0	-44.93	406.26	8.39	-36.54
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC(C)C2=C1	REAL300020294307	1	54	-1.0	-44.91	406.32	8.41	-36.50
CC1(C)CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294308	0	52	-1.0	-40.66	371.88	8.13	-32.53
CC1(C)CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294308	1	52	-1.0	-40.65	371.93	8.15	-32.50
CC1(C)CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294309	0	49	-1.0	-43.48	351.49	9.88	-33.60
CC1(C)CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294309	1	49	-1.0	-43.51	351.52	9.91	-33.60
CC1(C)CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020294310	0	56	-1.0	-42.14	405.22	12.30	-29.84
CC1(C)CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020294310	1	56	-1.0	-42.08	405.26	12.29	-29.79
C(CC1=NN=C(N2CCCC2C2CCCO2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294311	0	51	-1.0	-41.91	391.44	7.24	-34.67
C(CC1=NN=C(N2CCCC2C2CCCO2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294311	1	51	-1.0	-41.89	391.50	7.26	-34.63
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCCO2)N1CC1CC1	REAL300020294312	0	48	-1.0	-45.25	367.61	6.81	-38.44
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2CCCO2)N1CC1CC1	REAL300020294312	1	48	-1.0	-45.23	367.67	6.82	-38.41
CC1=CC=CC(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020294313	0	54	-1.0	-43.17	431.95	10.94	-32.23
CC1=CC=CC(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020294313	1	54	-1.0	-43.17	432.00	10.95	-32.22
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020294314	0	51	-1.0	-46.18	407.64	10.91	-35.27
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020294314	1	51	-1.0	-46.14	407.70	10.94	-35.20
CC(C)(C)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294315	0	53	-1.0	-39.97	404.02	9.90	-30.07
CC(C)(C)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294315	1	53	-1.0	-39.94	404.08	9.92	-30.02
CC(C)(C)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294316	0	50	-1.0	-42.79	374.62	9.30	-33.49
CC(C)(C)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294316	1	50	-1.0	-42.81	374.67	9.32	-33.49
N#CC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020294317	0	49	-1.0	-46.05	412.86	10.18	-35.87
N#CC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020294317	1	49	-1.0	-46.10	412.91	10.21	-35.89
C(CC1=NN=C(N2CCC3(CCOCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294318	0	54	-1.0	-41.05	399.97	7.92	-33.13
C(CC1=NN=C(N2CCC3(CCOCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294318	1	54	-1.0	-41.01	400.02	7.94	-33.07
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCOCC3)CC2)N1CC1CC1	REAL300020294319	0	51	-1.0	-44.61	375.55	7.36	-37.25
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C(CC1=NN=C(N2CCC[N@H+](C3CCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294324	1	59	0.0	-63.84	434.87	10.53	-53.31
C(CC1=NN=C(N2CCC[N@@H+](C3CCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294324	1	59	0.0	-63.29	438.84	10.84	-52.45
C(CC1=NN=C(N2CCC[N@H+](C3CCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294324	1	59	0.0	-63.82	434.81	10.51	-53.31
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CCCC3)CC2)N1CC1CC1	REAL300020294325	0	56	0.0	-64.55	418.66	10.19	-54.36
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C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CCCC3)CC2)N1CC1CC1	REAL300020294325	1	56	0.0	-64.58	418.72	10.21	-54.37
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C(CC1=NN=C(N2CCCC2C2CCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294326	1	50	-1.0	-40.55	379.49	8.14	-32.41
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCC2)N1CC1CC1	REAL300020294327	0	47	-1.0	-45.00	354.83	7.38	-37.62
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2CCC2)N1CC1CC1	REAL300020294327	1	47	-1.0	-45.01	354.92	7.39	-37.62
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CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294330	0	46	-1.0	-49.31	376.06	8.60	-40.71
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294330	1	46	-1.0	-49.30	376.12	8.62	-40.68
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C1=CC=C2C(=C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC1=CC=CC=C12	REAL300020294331	1	51	-1.0	-44.50	416.50	11.45	-33.05
C(CC1=NN=C(N(CC2CC2)C2CCCCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294332	0	56	-1.0	-39.38	416.97	10.82	-28.56
C(CC1=NN=C(N(CC2CC2)C2CCCCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294332	1	56	-1.0	-39.37	417.02	10.84	-28.53
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CC2)C2CCCCC2)N1CC1CC1	REAL300020294333	0	53	-1.0	-47.15	404.02	9.59	-37.56
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CC2)C2CCCCC2)N1CC1CC1	REAL300020294333	1	53	-1.0	-47.11	404.07	9.61	-37.50
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ClC1=CC=CC=C1C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294334	1	48	-1.0	-47.13	401.45	10.69	-36.44
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C=CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294337	1	44	-1.0	-40.28	346.33	8.18	-32.10
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CC1=CC(C)=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294358	1	53	-1.0	-40.85	414.15	11.08	-29.77
CC1=CC(C)=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294359	0	50	-1.0	-43.81	384.74	10.49	-33.32
CC1=CC(C)=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020294359	1	50	-1.0	-43.78	384.68	10.47	-33.31
C1=CC=C(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020294360	0	56	-1.0	-40.05	440.66	11.96	-28.09
C1=CC=C(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020294360	1	56	-1.0	-40.02	440.72	11.98	-28.04
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C1=CC=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020294361	1	53	-1.0	-42.11	416.55	11.05	-31.06
COC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294362	0	54	-1.0	-44.92	430.56	10.75	-34.17
COC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294362	1	54	-1.0	-44.95	430.62	10.77	-34.18
COC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294363	0	51	-1.0	-50.12	406.36	10.00	-40.12
COC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294363	1	51	-1.0	-50.09	406.30	9.99	-40.10
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CSCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294366	0	46	-1.0	-40.78	379.80	8.48	-32.30
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CSCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294367	0	43	-1.0	-42.66	350.38	7.88	-34.78
CSCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294367	1	43	-1.0	-42.69	350.43	7.90	-34.79
CSCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294368	0	50	-1.0	-42.50	403.85	10.28	-32.22
CSCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294368	1	50	-1.0	-42.50	403.89	10.27	-32.23
C1=CC=C(CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CCCC2)C=C1	REAL300020294369	0	56	-1.0	-46.78	438.52	10.92	-35.86
C1=CC=C(CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CCCC2)C=C1	REAL300020294369	1	56	-1.0	-46.75	438.57	10.95	-35.80
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294370	0	51	-1.0	-48.10	432.50	8.62	-39.48
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294370	1	51	-1.0	-48.09	432.55	8.64	-39.45
C1=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=CC2=C1OCO2	REAL300020294371	0	50	-1.0	-46.70	406.67	9.07	-37.63
C1=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=CC2=C1OCO2	REAL300020294371	1	50	-1.0	-46.71	406.72	9.10	-37.61
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2=CC=CC=C21	REAL300020294372	0	52	-1.0	-38.91	406.62	7.96	-30.95
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2=CC=CC=C21	REAL300020294372	1	52	-1.0	-38.92	406.67	7.98	-30.94
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2=CC=CC=C21	REAL300020294373	0	49	-1.0	-41.12	385.68	7.22	-33.90
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2=CC=CC=C21	REAL300020294373	1	49	-1.0	-41.13	385.63	7.20	-33.93
C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCCC2=C1	REAL300020294374	0	50	-1.0	-40.35	393.79	10.42	-29.93
C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCCC2=C1	REAL300020294374	1	50	-1.0	-40.35	393.85	10.43	-29.92
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCCC2=C1	REAL300020294375	0	47	-1.0	-44.10	373.21	9.67	-34.43
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCCC2=C1	REAL300020294375	1	47	-1.0	-44.08	373.17	9.66	-34.42
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCOC1	REAL300020294376	0	44	-1.0	-42.74	347.02	5.60	-37.14
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCOC1	REAL300020294376	1	44	-1.0	-42.74	347.08	5.62	-37.12
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCOC1	REAL300020294377	0	41	-1.0	-44.04	317.55	5.02	-39.02
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCOC1	REAL300020294377	1	41	-1.0	-44.01	317.51	5.01	-39.00
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CCOC1	REAL300020294378	0	48	-1.0	-42.35	383.70	7.03	-35.32
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CCOC1	REAL300020294378	1	48	-1.0	-42.28	383.74	7.02	-35.26
CC(CC#N)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294379	0	43	-1.0	-46.31	351.49	7.73	-38.58
CC(CC#N)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294379	1	43	-1.0	-46.33	351.55	7.74	-38.59
CC(CC#N)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294380	0	40	-1.0	-46.47	330.05	6.97	-39.50
CC(CC#N)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294380	1	40	-1.0	-46.46	329.99	6.94	-39.52
CC(CC#N)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294381	0	47	-1.0	-44.03	376.08	9.37	-34.66
CC(CC#N)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294381	1	47	-1.0	-43.97	376.15	9.35	-34.62
N#CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294382	0	47	-1.0	-41.81	389.21	8.54	-33.27
N#CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294382	1	47	-1.0	-41.87	389.27	8.55	-33.32
N#CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294383	0	44	-1.0	-43.62	361.04	7.86	-35.76
N#CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294383	1	44	-1.0	-43.64	361.07	7.87	-35.77
N#CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294384	0	51	-1.0	-42.85	416.67	10.39	-32.46
N#CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294384	1	51	-1.0	-42.85	416.72	10.39	-32.46
COCCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294385	0	47	-1.0	-43.46	389.40	5.95	-37.51
COCCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294385	1	47	-1.0	-43.49	389.46	5.96	-37.53
COCCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294386	0	44	-1.0	-46.86	360.62	5.36	-41.50
COCCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294386	1	44	-1.0	-46.88	360.68	5.38	-41.50
COCCN(CCC#N)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294387	0	51	-1.0	-46.05	412.03	7.97	-38.08
COCCN(CCC#N)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294387	1	51	-1.0	-46.08	412.07	7.97	-38.11
CC(C)CCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294388	0	52	-1.0	-41.65	416.56	8.89	-32.76
CC(C)CCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294388	1	52	-1.0	-41.66	416.62	8.91	-32.75
CC(C)CCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294389	0	49	-1.0	-43.74	377.91	8.01	-35.73
CC(C)CCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294389	1	49	-1.0	-43.74	377.99	8.03	-35.71
O=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCN1	REAL300020294390	0	44	-1.0	-41.40	347.62	4.51	-36.89
O=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCN1	REAL300020294390	1	44	-1.0	-41.39	347.67	4.52	-36.87
O=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1	REAL300020294391	0	41	-1.0	-42.95	329.07	3.84	-39.11
O=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCN1	REAL300020294391	1	41	-1.0	-42.98	329.01	3.82	-39.16
O=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCN1	REAL300020294392	0	48	-1.0	-44.05	379.86	6.58	-37.47
O=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCN1	REAL300020294392	1	48	-1.0	-44.02	379.90	6.56	-37.46
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294393	0	56	-1.0	-42.61	426.70	10.84	-31.77
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294393	1	56	-1.0	-42.62	426.76	10.86	-31.76
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294394	0	53	-1.0	-43.99	404.50	9.87	-34.12
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294394	1	53	-1.0	-44.00	404.55	9.89	-34.11
CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020294395	0	50	-1.0	-40.84	393.42	10.43	-30.41
CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020294395	1	50	-1.0	-40.82	393.48	10.45	-30.37
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020294396	0	47	-1.0	-43.53	380.80	9.62	-33.91
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020294396	1	47	-1.0	-43.53	380.74	9.59	-33.94
CC(C1=CC=CS1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294397	0	46	-1.0	-39.64	379.15	9.27	-30.37
CC(C1=CC=CS1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294397	1	46	-1.0	-39.65	379.21	9.29	-30.36
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294398	0	43	-1.0	-40.38	361.37	8.03	-32.35
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294398	1	43	-1.0	-40.40	361.31	8.01	-32.39
C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294399	0	41	-1.0	-40.75	329.33	6.65	-34.10
C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294399	1	41	-1.0	-40.73	329.39	6.66	-34.07
C1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020294400	0	45	-1.0	-41.68	363.87	9.71	-31.97
C1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020294400	1	45	-1.0	-41.67	363.91	9.70	-31.97
OC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020294401	0	54	-1.0	-42.33	433.38	8.46	-33.87
OC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020294401	1	54	-1.0	-42.31	433.44	8.47	-33.84
OC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020294402	0	51	-1.0	-46.20	403.15	7.82	-38.38
OC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020294402	1	51	-1.0	-46.21	403.19	7.84	-38.37
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294403	0	52	-1.0	-43.19	416.48	9.68	-33.51
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294403	1	52	-1.0	-43.20	416.53	9.70	-33.50
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294404	0	49	-1.0	-44.24	403.07	9.70	-34.54
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294404	1	49	-1.0	-44.22	403.01	9.69	-34.53
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294405	0	52	-1.0	-45.12	421.77	11.01	-34.11
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294405	1	52	-1.0	-45.13	421.70	10.98	-34.15
CCN(CC1=CC=C(OC)C=C1OC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294406	0	54	-1.0	-43.78	436.63	8.19	-35.59
CCN(CC1=CC=C(OC)C=C1OC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294406	1	54	-1.0	-43.74	436.69	8.22	-35.52
CCC(CC)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294407	0	54	-1.0	-40.45	408.97	9.34	-31.11
CCC(CC)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294407	1	54	-1.0	-40.45	409.03	9.35	-31.10
CCC(CC)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294408	0	51	-1.0	-44.67	388.72	8.66	-36.01
CCC(CC)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294408	1	51	-1.0	-44.64	388.78	8.69	-35.95
CCC(CC)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294409	0	58	-1.0	-42.18	432.09	11.25	-30.93
CCC(CC)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294409	1	58	-1.0	-42.20	432.14	11.23	-30.97
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294410	0	52	-1.0	-39.52	407.68	9.31	-30.21
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294410	1	52	-1.0	-39.56	407.74	9.32	-30.24
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294411	0	49	-1.0	-42.39	396.50	8.99	-33.40
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294411	1	49	-1.0	-42.39	396.57	9.01	-33.38
CC(C)CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CC1	REAL300020294412	0	56	-1.0	-41.47	440.79	11.87	-29.60
CC(C)CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CC1	REAL300020294412	1	56	-1.0	-41.41	440.81	11.86	-29.55
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294413	0	50	-1.0	-41.00	411.52	10.97	-30.03
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294413	1	50	-1.0	-41.04	411.58	10.99	-30.05
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294414	0	47	-1.0	-44.62	392.02	9.49	-35.13
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294414	1	47	-1.0	-44.67	391.97	9.47	-35.20
CCOC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C(C)C)C=C1	REAL300020294415	0	56	-1.0	-48.39	434.31	8.74	-39.65
CCOC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C(C)C)C=C1	REAL300020294415	1	56	-1.0	-48.40	434.37	8.77	-39.63
COCCN(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294416	0	50	-1.0	-43.82	401.29	6.27	-37.55
COCCN(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294416	1	50	-1.0	-43.84	401.35	6.29	-37.55
COCCN(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294417	0	47	-1.0	-46.53	385.02	5.63	-40.90
COCCN(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294417	1	47	-1.0	-46.52	385.08	5.66	-40.86
COCCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294418	0	52	-1.0	-41.63	397.83	7.13	-34.50
COCCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294418	1	52	-1.0	-41.67	397.89	7.15	-34.52
COCCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294419	0	49	-1.0	-46.36	388.41	7.24	-39.12
COCCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294419	1	49	-1.0	-46.38	388.46	7.26	-39.12
COCCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294420	0	56	-1.0	-43.84	430.13	8.90	-34.94
COCCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294420	1	56	-1.0	-43.77	430.18	8.88	-34.89
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCCC1	REAL300020294421	0	55	-1.0	-40.72	407.17	9.96	-30.76
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCCC1	REAL300020294421	1	55	-1.0	-40.72	407.22	9.97	-30.75
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCCC1	REAL300020294422	0	52	-1.0	-42.80	387.74	9.34	-33.46
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCCC1	REAL300020294422	1	52	-1.0	-42.78	387.80	9.37	-33.41
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294423	0	58	-1.0	-42.01	457.48	11.84	-30.17
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294423	1	58	-1.0	-42.00	457.54	11.86	-30.14
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294424	0	55	-1.0	-46.82	439.35	11.69	-35.13
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294424	1	55	-1.0	-46.81	439.41	11.71	-35.10
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294425	0	55	-1.0	-41.60	435.07	10.35	-31.25
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294425	1	55	-1.0	-41.64	435.13	10.36	-31.28
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294426	0	52	-1.0	-42.69	410.40	9.84	-32.85
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294426	1	52	-1.0	-42.74	410.46	9.86	-32.88
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294427	0	55	-1.0	-40.60	431.52	11.78	-28.82
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294427	1	55	-1.0	-40.60	431.58	11.79	-28.81
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294428	0	52	-1.0	-42.61	401.83	9.79	-32.82
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294428	1	52	-1.0	-42.61	401.79	9.77	-32.84
FC1=CC=CC(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CCCC2)=C1	REAL300020294429	0	53	-1.0	-43.03	421.20	10.60	-32.43
FC1=CC=CC(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CCCC2)=C1	REAL300020294429	1	53	-1.0	-43.05	421.26	10.63	-32.42
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCCC1	REAL300020294430	0	58	-1.0	-41.81	433.13	9.69	-32.12
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCCC1	REAL300020294430	1	58	-1.0	-41.82	433.18	9.70	-32.12
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCCC1	REAL300020294431	0	55	-1.0	-45.26	417.86	9.21	-36.05
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCCC1	REAL300020294431	1	55	-1.0	-45.29	417.91	9.24	-36.05
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294432	0	49	-1.0	-41.06	415.70	9.88	-31.18
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294432	1	49	-1.0	-41.05	415.76	9.89	-31.16
CCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294433	0	46	-1.0	-45.22	388.94	8.80	-36.42
CCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294433	1	46	-1.0	-45.26	388.99	8.82	-36.44
COC1=CC=CC=C1CN(CCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294434	0	54	-1.0	-41.86	432.58	6.05	-35.81
COC1=CC=CC=C1CN(CCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294434	1	54	-1.0	-41.87	432.64	6.07	-35.80
COC1=CC=CC=C1CN(CCO)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294435	0	51	-1.0	-45.95	420.66	5.20	-40.75
COC1=CC=CC=C1CN(CCO)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294435	1	51	-1.0	-45.91	420.73	5.23	-40.68
CC1COCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294436	0	44	-1.0	-40.94	357.11	5.16	-35.78
CC1COCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294436	1	44	-1.0	-40.90	357.16	5.17	-35.73
CC1COCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294437	0	41	-1.0	-44.24	326.41	4.44	-39.80
CC1COCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294437	1	41	-1.0	-44.18	326.38	4.41	-39.77
CC1COCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294438	0	48	-1.0	-42.74	386.52	7.05	-35.69
CC1COCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294438	1	48	-1.0	-42.76	386.56	7.04	-35.72
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C(C)C	REAL300020294439	0	51	-1.0	-40.08	389.52	8.59	-31.49
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C(C)C	REAL300020294439	1	51	-1.0	-40.07	389.57	8.60	-31.47
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C(C)C	REAL300020294440	0	48	-1.0	-43.56	343.38	8.22	-35.34
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C(C)C	REAL300020294440	1	48	-1.0	-43.60	343.32	8.21	-35.39
CC(C)CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C(C)C	REAL300020294441	0	55	-1.0	-42.35	407.36	9.57	-32.78
CC(C)CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C(C)C	REAL300020294441	1	55	-1.0	-42.27	407.50	9.54	-32.73
CCC1C2=C(CCN1C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)SC=C2	REAL300020294442	0	50	-1.0	-41.72	400.07	9.08	-32.64
CCC1C2=C(CCN1C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)SC=C2	REAL300020294442	1	50	-1.0	-41.70	400.13	9.10	-32.60
CCC1C2=C(CCN1C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)SC=C2	REAL300020294443	0	47	-1.0	-44.37	378.63	8.32	-36.05
CCC1C2=C(CCN1C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)SC=C2	REAL300020294443	1	47	-1.0	-44.33	378.57	8.30	-36.03
CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294444	0	48	-1.0	-40.54	376.32	8.05	-32.49
CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294444	1	48	-1.0	-40.55	376.38	8.07	-32.48
CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294445	0	45	-1.0	-44.91	347.62	7.47	-37.44
CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294445	1	45	-1.0	-44.91	347.60	7.46	-37.45
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294446	0	52	-1.0	-42.25	402.85	10.71	-31.54
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294446	1	52	-1.0	-42.24	402.90	10.70	-31.54
CCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294447	0	48	-1.0	-40.00	373.16	8.91	-31.09
CCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294447	1	48	-1.0	-40.02	373.21	8.92	-31.10
CCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294448	0	45	-1.0	-41.33	351.71	8.15	-33.18
CCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294448	1	45	-1.0	-41.35	351.65	8.13	-33.22
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294449	0	52	-1.0	-41.99	398.45	10.27	-31.72
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294449	1	52	-1.0	-41.99	398.49	10.26	-31.73
OC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020294450	0	48	-1.0	-42.24	386.52	7.03	-35.21
OC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294450	1	48	-1.0	-42.26	386.58	7.04	-35.22
OC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294451	0	45	-1.0	-44.47	367.65	5.43	-39.04
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CN(CC1=CC=CC=C1O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294453	0	44	-1.0	-43.12	369.83	6.07	-37.05
CN(CC1=CC=CC=C1O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294453	1	44	-1.0	-43.16	369.78	6.05	-37.11
C#CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCC2=CC=CC=C21	REAL300020294454	0	52	-1.0	-45.56	416.92	10.93	-34.63
C#CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCC2=CC=CC=C21	REAL300020294454	1	52	-1.0	-45.55	416.99	10.95	-34.60
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCC2=CC=CC=C21	REAL300020294455	0	49	-1.0	-49.17	399.12	10.31	-38.86
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCC2=CC=CC=C21	REAL300020294455	1	49	-1.0	-49.19	399.06	10.29	-38.90
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294456	0	52	-1.0	-41.82	423.47	10.61	-31.21
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294456	1	52	-1.0	-41.83	423.53	10.63	-31.20
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294457	0	49	-1.0	-46.10	402.31	9.83	-36.27
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294457	1	49	-1.0	-46.13	402.36	9.85	-36.28
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294458	0	53	-1.0	-42.82	418.26	9.72	-33.10
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294458	1	53	-1.0	-42.83	418.32	9.74	-33.09
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294459	0	50	-1.0	-45.20	405.22	8.03	-37.17
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294459	1	50	-1.0	-45.23	405.16	8.04	-37.19
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294460	0	49	-1.0	-46.21	418.13	8.53	-37.68
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294460	1	49	-1.0	-46.21	418.19	8.56	-37.65
CC(C)C(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294461	0	56	-1.0	-46.36	426.77	9.41	-36.95
CC(C)C(=O)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294461	1	56	-1.0	-46.32	426.83	9.43	-36.89
CC(C)C(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294462	0	53	-1.0	-47.27	401.29	8.54	-38.73
CC(C)C(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294462	1	53	-1.0	-47.24	401.34	8.56	-38.68
C(CC1=NN=C(N(CC2CCCCC2)C2CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294463	0	56	-1.0	-41.38	417.48	9.77	-31.61
C(CC1=NN=C(N(CC2CCCCC2)C2CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294463	1	56	-1.0	-41.38	417.53	9.79	-31.59
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CCCCC2)C2CC2)N1CC1CC1	REAL300020294464	0	53	-1.0	-44.39	407.60	9.99	-34.40
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CCCCC2)C2CC2)N1CC1CC1	REAL300020294464	1	53	-1.0	-44.43	407.65	10.00	-34.43
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294465	0	58	0.0	-65.01	442.00	9.51	-55.50
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294465	1	58	0.0	-65.04	442.06	9.53	-55.51
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294466	0	55	0.0	-61.62	412.57	9.32	-52.30
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294466	1	55	0.0	-61.62	412.63	9.33	-52.29
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](CC3CCCCC3)CC2)N1CC1CC1	REAL300020294467	0	62	0.0	-69.70	434.73	10.85	-58.85
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](CC3CCCCC3)CC2)N1CC1CC1	REAL300020294467	1	62	0.0	-67.71	456.07	11.62	-56.09
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](CC3CCCCC3)CC2)N1CC1CC1	REAL300020294467	1	62	0.0	-69.71	434.77	10.87	-58.84
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](CC3CCCCC3)CC2)N1CC1CC1	REAL300020294467	1	62	0.0	-67.68	456.12	11.66	-56.02
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294468	0	54	-1.0	-42.50	431.32	10.23	-32.27
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294468	1	54	-1.0	-42.47	431.38	10.24	-32.23
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294469	0	51	-1.0	-45.64	421.47	8.77	-36.87
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294469	1	51	-1.0	-45.59	421.41	8.76	-36.83
FC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294470	0	50	-1.0	-40.63	397.78	9.56	-31.07
FC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294470	1	50	-1.0	-40.66	397.84	9.57	-31.09
FC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294471	0	47	-1.0	-45.74	375.52	8.71	-37.03
FC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294471	1	47	-1.0	-45.75	375.46	8.68	-37.07
COCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294472	0	53	-1.0	-41.81	411.60	5.26	-36.55
COCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294472	1	53	-1.0	-41.80	411.65	5.27	-36.53
COCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294473	0	50	-1.0	-45.37	408.68	5.16	-40.21
COCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294473	1	50	-1.0	-45.38	408.73	5.18	-40.20
CCC1(CC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294474	0	58	-1.0	-39.03	415.34	10.00	-29.03
CCC1(CC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294474	1	58	-1.0	-39.01	415.41	10.01	-29.00
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294475	0	55	-1.0	-42.77	392.50	10.56	-32.21
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294475	1	55	-1.0	-42.82	392.56	10.58	-32.24
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020294476	0	56	-1.0	-40.50	431.53	11.65	-28.85
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020294476	1	56	-1.0	-40.48	431.59	11.66	-28.82
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020294477	0	53	-1.0	-43.23	418.85	10.81	-32.42
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020294477	1	53	-1.0	-43.25	418.91	10.83	-32.42
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294478	0	50	-1.0	-41.05	390.78	7.06	-33.99
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294478	1	50	-1.0	-41.08	390.84	7.07	-34.01
C[C@H]1COC(C)(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294479	0	47	-1.0	-44.06	352.10	6.95	-37.11
C[C@H]1COC(C)(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294479	1	47	-1.0	-44.06	352.14	6.96	-37.10
C[C@H]1COC(C)(C)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294480	0	54	-1.0	-42.47	421.62	8.59	-33.88
C[C@H]1COC(C)(C)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294480	1	54	-1.0	-42.47	421.65	8.58	-33.89
C=CCC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCCC1(C)C	REAL300020294481	0	56	-1.0	-40.84	418.38	9.18	-31.66
C=CCC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCCC1(C)C	REAL300020294481	1	56	-1.0	-40.83	418.43	9.20	-31.63
C=CCC1N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCCC1(C)C	REAL300020294482	0	53	-1.0	-44.12	376.99	8.19	-35.93
C=CCC1N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCCC1(C)C	REAL300020294482	1	53	-1.0	-44.12	377.03	8.21	-35.91
CS(=O)(=O)C1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294483	0	52	-1.0	-53.10	414.19	5.43	-47.67
CS(=O)(=O)C1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294483	1	52	-1.0	-53.11	414.26	5.45	-47.66
CS(=O)(=O)C1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294484	0	49	-1.0	-52.69	389.46	4.60	-48.09
CS(=O)(=O)C1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294484	1	49	-1.0	-52.68	389.52	4.62	-48.06
CC1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294485	0	44	-1.0	-40.30	350.24	8.27	-32.03
CC1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294485	1	44	-1.0	-40.34	350.30	8.29	-32.05
CC1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294486	0	41	-1.0	-43.35	320.92	7.69	-35.66
CC1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294486	1	41	-1.0	-43.34	320.88	7.68	-35.66
CC1=CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020294487	0	48	-1.0	-42.40	381.85	9.48	-32.92
CC1=CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020294487	1	48	-1.0	-42.43	381.89	9.46	-32.97
BrC1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294488	0	41	-1.0	-40.79	350.37	7.24	-33.55
BrC1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294488	1	41	-1.0	-40.80	350.43	7.26	-33.54
BrC1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294489	0	38	-1.0	-42.28	321.43	6.66	-35.62
BrC1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294489	1	38	-1.0	-42.24	321.62	6.74	-35.50
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294490	0	53	-1.0	-40.07	391.14	7.81	-32.26
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294490	1	53	-1.0	-40.03	391.19	7.82	-32.21
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294491	0	50	-1.0	-42.72	373.58	7.15	-35.57
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294491	1	50	-1.0	-42.73	373.64	7.18	-35.55
C(CC1=NN=C(N(CC2CC2)CC2CCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294492	0	53	-1.0	-40.73	414.62	9.74	-30.99
C(CC1=NN=C(N(CC2CC2)CC2CCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294492	1	53	-1.0	-40.71	414.68	9.75	-30.96
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CC2)CC2CCC2)N1CC1CC1	REAL300020294493	0	50	-1.0	-44.76	401.69	9.84	-34.92
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CC2)CC2CCC2)N1CC1CC1	REAL300020294493	1	50	-1.0	-44.81	401.75	9.87	-34.94
CC1=C(Br)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294494	0	44	-1.0	-39.52	367.08	8.77	-30.75
CC1=C(Br)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294494	1	44	-1.0	-39.51	367.13	8.78	-30.73
CC1=C(Br)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294495	0	41	-1.0	-42.57	337.70	8.16	-34.41
CC1=C(Br)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294495	1	41	-1.0	-42.65	337.75	8.18	-34.47
FC(F)O[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294496	0	44	-1.0	-42.23	366.46	6.42	-35.81
FC(F)O[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294496	1	44	-1.0	-42.22	366.52	6.44	-35.78
FC(F)O[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294497	0	41	-1.0	-44.66	343.43	5.47	-39.19
FC(F)O[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294497	1	41	-1.0	-44.63	343.49	5.50	-39.13
C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020294498	0	47	-1.0	-40.87	375.48	9.88	-30.99
C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020294498	1	47	-1.0	-40.87	375.54	9.90	-30.97
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020294499	0	44	-1.0	-43.66	346.14	9.30	-34.36
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020294499	1	44	-1.0	-43.64	346.08	9.28	-34.36
C1=CC=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CC3CC3)CCC2=C1	REAL300020294500	0	51	-1.0	-41.71	410.60	11.96	-29.75
C1=CC=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CC3CC3)CCC2=C1	REAL300020294500	1	51	-1.0	-41.67	410.64	11.94	-29.73
CC12CC(CC(C)(C)C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020294501	0	56	-1.0	-41.36	414.25	10.32	-31.04
CC12CC(CC(C)(C)C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020294501	1	56	-1.0	-41.45	414.30	10.33	-31.12
CC12CC(CC(C)(C)C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020294502	0	53	-1.0	-45.90	389.63	9.16	-36.74
CC12CC(CC(C)(C)C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020294502	1	53	-1.0	-45.90	389.68	9.19	-36.71
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCS(=O)(=O)C1	REAL300020294503	0	46	-1.0	-51.72	369.84	4.17	-47.55
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCS(=O)(=O)C1	REAL300020294503	1	46	-1.0	-51.69	369.90	4.18	-47.51
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCS(=O)(=O)C1	REAL300020294504	0	43	-1.0	-47.08	358.10	3.46	-43.62
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCS(=O)(=O)C1	REAL300020294504	1	43	-1.0	-47.03	358.16	3.49	-43.54
OC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020294505	0	53	-1.0	-42.18	424.75	5.91	-36.27
OC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020294505	1	53	-1.0	-42.13	424.81	5.92	-36.21
OC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020294506	0	50	-1.0	-43.58	405.59	4.98	-38.60
OC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020294506	1	50	-1.0	-43.59	405.65	5.00	-38.59
CCCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294507	0	48	-1.0	-40.39	382.68	8.22	-32.17
CCCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294507	1	48	-1.0	-40.36	382.74	8.23	-32.13
CCCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294508	0	45	-1.0	-42.89	356.55	7.26	-35.63
CCCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294508	1	45	-1.0	-42.89	356.49	7.24	-35.65
CCCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294509	0	52	-1.0	-41.37	409.11	10.23	-31.14
CCCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294509	1	52	-1.0	-41.37	409.09	10.21	-31.16
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294510	0	44	-1.0	-39.21	367.27	8.47	-30.74
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294510	1	44	-1.0	-39.24	367.33	8.48	-30.76
C=CCN(CC=C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294511	0	41	-1.0	-42.49	349.04	7.43	-35.06
C=CCN(CC=C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294511	1	41	-1.0	-42.44	348.98	7.41	-35.03
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294512	0	48	-1.0	-41.16	396.69	10.34	-30.82
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294512	1	48	-1.0	-41.15	396.74	10.33	-30.82
COCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294513	0	50	-1.0	-41.26	401.73	5.28	-35.98
COCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294513	1	50	-1.0	-41.28	401.79	5.30	-35.98
COCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294514	0	47	-1.0	-42.43	385.56	4.51	-37.92
COCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294514	1	47	-1.0	-42.43	385.62	4.54	-37.89
COCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294515	0	54	-1.0	-41.72	438.78	7.25	-34.47
COCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294515	1	54	-1.0	-41.66	438.84	7.24	-34.42
OCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294516	0	50	-1.0	-42.16	401.90	6.16	-36.00
OCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294516	1	50	-1.0	-42.18	401.95	6.17	-36.01
OCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294517	0	47	-1.0	-46.52	374.26	5.49	-41.03
OCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294517	1	47	-1.0	-46.48	374.23	5.47	-41.01
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCCCC1	REAL300020294518	0	52	-1.0	-41.34	397.68	8.10	-33.24
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCCCC1	REAL300020294518	1	52	-1.0	-41.40	397.74	8.12	-33.28
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCCCC1	REAL300020294519	0	49	-1.0	-43.56	377.58	8.46	-35.10
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCCCC1	REAL300020294519	1	49	-1.0	-43.58	377.65	8.49	-35.09
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CCCCC1	REAL300020294520	0	56	-1.0	-42.33	425.24	9.97	-32.36
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CCCCC1	REAL300020294520	1	56	-1.0	-42.30	425.29	9.96	-32.34
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294521	0	49	-1.0	-41.63	396.82	10.37	-31.26
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294521	1	49	-1.0	-41.64	396.88	10.39	-31.25
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294522	0	46	-1.0	-44.16	375.77	8.78	-35.38
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294522	1	46	-1.0	-44.15	375.70	8.75	-35.40
C(CC1=NN=C(N2CCCCCCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294523	0	49	-1.0	-40.25	358.35	9.61	-30.64
C(CC1=NN=C(N2CCCCCCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294523	1	49	-1.0	-40.19	358.40	9.62	-30.57
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCC2)N1CC1CC1	REAL300020294524	0	46	-1.0	-41.65	349.58	9.03	-32.62
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCC2)N1CC1CC1	REAL300020294524	1	46	-1.0	-41.66	349.64	9.05	-32.61
C1=CC(C2=NN=C(N3CCCCCCC3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020294525	0	53	-1.0	-42.03	385.81	11.52	-30.51
C1=CC(C2=NN=C(N3CCCCCCC3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020294525	1	53	-1.0	-42.00	385.84	11.51	-30.49
CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294526	0	48	-1.0	-40.22	385.06	8.37	-31.85
CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294526	1	48	-1.0	-40.24	385.12	8.38	-31.86
CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294527	0	45	-1.0	-44.45	363.95	7.59	-36.86
CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294527	1	45	-1.0	-44.44	363.90	7.58	-36.86
CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294528	0	52	-1.0	-42.30	400.54	9.93	-32.37
CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294528	1	52	-1.0	-42.23	400.58	9.92	-32.31
CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294529	0	49	-1.0	-39.82	398.84	9.22	-30.60
CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294529	1	49	-1.0	-39.80	398.89	9.24	-30.56
CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294530	0	46	-1.0	-43.86	348.27	7.84	-36.02
CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294530	1	46	-1.0	-43.86	348.31	7.86	-36.00
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294531	0	53	-1.0	-41.95	416.47	10.58	-31.37
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294531	1	53	-1.0	-41.91	416.48	10.57	-31.34
C=C(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294532	0	46	-1.0	-40.33	371.14	8.58	-31.75
C=C(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294532	1	46	-1.0	-40.29	371.20	8.60	-31.69
C=C(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294533	0	43	-1.0	-44.03	348.37	7.60	-36.43
C=C(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294533	1	43	-1.0	-44.06	348.31	7.59	-36.47
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294534	0	50	-1.0	-42.15	392.97	10.61	-31.54
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294534	1	50	-1.0	-42.12	393.02	10.60	-31.52
COCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294535	0	53	-1.0	-41.95	424.13	8.56	-33.39
COCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294535	1	53	-1.0	-41.91	424.19	8.58	-33.33
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294536	0	50	-1.0	-46.11	408.13	7.73	-38.38
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294536	1	50	-1.0	-46.09	408.09	7.71	-38.38
C1=COC(CN(CC2=CC=CC=C2)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294537	0	50	-1.0	-44.66	422.21	10.17	-34.49
C1=COC(CN(CC2=CC=CC=C2)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294537	1	50	-1.0	-44.67	422.15	10.15	-34.52
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294538	0	54	-1.0	-43.28	433.31	10.33	-32.95
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294538	1	54	-1.0	-43.28	433.38	10.35	-32.93
COC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294539	0	51	-1.0	-43.80	392.36	8.34	-35.46
COC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294539	1	51	-1.0	-43.79	392.40	8.35	-35.44
C1=COC(CN(CC2=CC=CO2)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294540	0	50	-1.0	-41.61	426.20	9.45	-32.16
C1=COC(CN(CC2=CC=CO2)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294540	1	50	-1.0	-41.62	426.25	9.46	-32.16
C1=COC(CN(CC2=CC=CO2)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294541	0	47	-1.0	-44.12	397.92	8.79	-35.33
C1=COC(CN(CC2=CC=CO2)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294541	1	47	-1.0	-44.07	397.88	8.77	-35.30
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294542	0	46	-1.0	-39.23	404.29	9.36	-29.87
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294542	1	46	-1.0	-39.20	404.35	9.37	-29.83
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294543	0	43	-1.0	-40.91	380.73	8.42	-32.49
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294543	1	43	-1.0	-40.90	380.79	8.45	-32.45
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294544	0	44	-1.0	-40.50	391.96	9.03	-31.47
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294544	1	44	-1.0	-40.51	392.01	9.05	-31.46
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294545	0	47	-1.0	-41.51	391.09	8.98	-32.53
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294545	1	47	-1.0	-41.51	391.15	8.99	-32.52
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294546	0	44	-1.0	-41.26	384.23	9.01	-32.25
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294546	1	44	-1.0	-41.23	384.17	8.98	-32.25
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294547	0	52	-1.0	-42.13	422.60	8.13	-34.00
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294547	1	52	-1.0	-42.12	422.66	8.15	-33.97
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294548	0	49	-1.0	-45.81	401.71	7.38	-38.43
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294548	1	49	-1.0	-45.78	401.77	7.39	-38.39
CC1=CC=C(CC(C)N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294549	0	55	-1.0	-42.21	429.01	11.31	-30.90
CC1=CC=C(CC(C)N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294549	1	55	-1.0	-42.22	429.06	11.32	-30.90
CC1=CC=C(CC(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294550	0	52	-1.0	-44.92	411.22	10.28	-34.64
CC1=CC=C(CC(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294550	1	52	-1.0	-44.91	411.28	10.29	-34.62
CC(C)C1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294551	0	56	-1.0	-44.11	440.83	12.34	-31.77
CC(C)C1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294551	1	56	-1.0	-44.10	440.89	12.37	-31.73
FC1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020294552	0	47	-1.0	-43.41	385.80	8.85	-34.56
FC1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020294552	1	47	-1.0	-43.41	385.86	8.86	-34.55
FC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020294553	0	44	-1.0	-45.54	357.67	8.35	-37.19
FC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020294553	1	44	-1.0	-45.48	357.73	8.36	-37.12
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294554	0	48	-1.0	-54.81	398.64	3.91	-50.90
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294554	1	48	-1.0	-54.80	398.69	3.93	-50.87
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294555	0	45	-1.0	-60.73	384.53	3.57	-57.16
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294555	1	45	-1.0	-60.74	384.59	3.60	-57.14
CS(=O)(=O)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294556	0	49	-1.0	-53.27	410.75	4.79	-48.48
CS(=O)(=O)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294556	1	49	-1.0	-53.28	410.81	4.81	-48.47
CS(=O)(=O)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294557	0	46	-1.0	-55.36	399.58	4.48	-50.88
CS(=O)(=O)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294557	1	46	-1.0	-55.32	399.64	4.49	-50.83
CCN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294558	0	49	-1.0	-41.16	386.82	8.76	-32.40
CCN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294558	1	49	-1.0	-41.20	386.88	8.78	-32.42
CCN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294559	0	46	-1.0	-42.56	366.80	8.00	-34.56
CCN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294559	1	46	-1.0	-42.53	366.86	8.02	-34.51
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294560	0	53	-1.0	-41.19	421.67	10.97	-30.22
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294560	1	53	-1.0	-41.23	421.71	10.96	-30.27
ClC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020294561	0	47	-1.0	-40.44	392.23	10.39	-30.05
ClC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294561	1	47	-1.0	-40.42	392.29	10.41	-30.01
ClC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020294562	0	44	-1.0	-43.14	362.82	9.79	-33.35
ClC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294562	1	44	-1.0	-43.16	362.88	9.81	-33.35
FC1=CC(F)=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020294563	0	47	-1.0	-43.51	387.50	8.93	-34.58
FC1=CC(F)=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294563	1	47	-1.0	-43.52	387.56	8.95	-34.57
FC1=CC(F)=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020294564	0	44	-1.0	-41.03	358.02	9.38	-31.65
FC1=CC(F)=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294564	1	44	-1.0	-41.05	358.07	9.39	-31.66
C1=NN(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=N1	REAL300020294565	0	52	-1.0	-47.58	419.81	11.04	-36.54
C1=NN(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C=N1	REAL300020294565	1	52	-1.0	-47.54	419.76	11.02	-36.52
C1=NN(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=N1	REAL300020294566	0	49	-1.0	-50.17	392.24	10.37	-39.80
C1=NN(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=N1	REAL300020294566	1	49	-1.0	-50.13	392.19	10.36	-39.77
CSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294567	0	49	-1.0	-39.86	396.39	9.36	-30.50
CSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294567	1	49	-1.0	-39.87	396.45	9.38	-30.49
CSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294568	0	46	-1.0	-41.07	374.89	8.58	-32.49
CSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294568	1	46	-1.0	-41.11	374.95	8.60	-32.51
CSCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294569	0	53	-1.0	-42.16	421.68	10.73	-31.43
CSCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294569	1	53	-1.0	-42.14	421.73	10.72	-31.42
CN(CC1=NOC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294570	0	42	-1.0	-44.95	348.65	6.73	-38.22
CN(CC1=NOC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294570	1	42	-1.0	-44.91	348.71	6.75	-38.16
CN(CC1=NOC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294571	0	39	-1.0	-45.64	319.30	6.15	-39.49
CN(CC1=NOC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294571	1	39	-1.0	-45.67	319.23	6.13	-39.54
CN(CC1=NOC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294572	0	46	-1.0	-46.44	372.73	8.54	-37.90
CN(CC1=NOC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294572	1	46	-1.0	-46.40	372.76	8.53	-37.87
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294573	0	53	-1.0	-42.09	425.96	11.08	-31.01
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294573	1	53	-1.0	-42.10	426.01	11.10	-31.00
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294574	0	50	-1.0	-46.71	402.28	10.41	-36.30
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294574	1	50	-1.0	-46.70	402.34	10.43	-36.27
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020294575	0	55	0.0	-65.33	406.13	8.91	-56.42
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020294575	1	55	0.0	-63.66	402.57	9.35	-54.31
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020294575	1	55	0.0	-65.36	406.19	8.92	-56.44
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020294575	1	55	0.0	-63.60	402.64	9.36	-54.24
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020294576	0	52	0.0	-65.62	382.57	7.16	-58.46
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020294576	1	52	0.0	-67.54	383.86	8.37	-59.17
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020294576	1	52	0.0	-65.64	382.62	7.19	-58.45
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020294576	1	52	0.0	-67.52	383.91	8.40	-59.12
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294577	0	56	-1.0	-42.57	434.19	11.53	-31.04
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294577	1	56	-1.0	-42.60	434.25	11.55	-31.05
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294578	0	53	-1.0	-45.96	406.03	11.06	-34.90
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294578	1	53	-1.0	-45.96	406.07	11.08	-34.88
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294579	0	53	-1.0	-39.47	435.33	10.63	-28.84
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294579	1	53	-1.0	-39.49	435.39	10.65	-28.84
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294580	0	50	-1.0	-43.91	405.85	9.66	-34.25
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294580	1	50	-1.0	-43.92	405.78	9.65	-34.27
CC(C)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C(C)C1=O	REAL300020294581	0	56	-1.0	-45.22	429.59	7.85	-37.37
CC(C)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C(C)C1=O	REAL300020294581	1	56	-1.0	-45.21	429.65	7.86	-37.35
CC(C)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C(C)C1=O	REAL300020294582	0	53	-1.0	-48.55	414.09	7.23	-41.32
CC(C)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C(C)C1=O	REAL300020294582	1	53	-1.0	-48.62	414.15	7.26	-41.36
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1(C)C	REAL300020294583	0	56	-1.0	-41.58	426.20	9.05	-32.53
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1(C)C	REAL300020294583	1	56	-1.0	-41.62	426.25	9.06	-32.56
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1(C)C	REAL300020294584	0	53	-1.0	-45.76	408.64	8.40	-37.36
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1(C)C	REAL300020294584	1	53	-1.0	-45.76	408.70	8.42	-37.34
CC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1C	REAL300020294585	0	56	-1.0	-39.99	451.05	11.75	-28.24
CC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1C	REAL300020294585	1	56	-1.0	-39.96	451.11	11.77	-28.19
CC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1C	REAL300020294586	0	53	-1.0	-43.82	420.99	11.39	-32.43
CC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1C	REAL300020294586	1	53	-1.0	-43.86	420.93	11.37	-32.49
CC1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294587	0	46	-1.0	-41.52	360.26	8.16	-33.36
CC1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294587	1	46	-1.0	-41.51	360.32	8.18	-33.33
CC1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294588	0	43	-1.0	-43.54	343.17	7.69	-35.85
CC1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294588	1	43	-1.0	-43.54	343.11	7.66	-35.88
CC1CC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020294589	0	50	-1.0	-42.49	392.63	10.20	-32.29
CC1CC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020294589	1	50	-1.0	-42.41	392.68	10.20	-32.21
CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC(OCC)C1(C)C	REAL300020294590	0	59	-1.0	-44.92	428.95	8.26	-36.66
CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC(OCC)C1(C)C	REAL300020294590	1	59	-1.0	-44.90	429.01	8.28	-36.62
C1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1	REAL300020294591	0	50	-1.0	-40.53	400.09	10.82	-29.71
C1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020294591	1	50	-1.0	-40.52	400.15	10.83	-29.69
C1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020294592	0	47	-1.0	-42.65	393.80	9.88	-32.77
C1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1	REAL300020294592	1	47	-1.0	-42.65	393.73	9.86	-32.79
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)S1	REAL300020294593	0	51	-1.0	-48.13	416.04	8.39	-39.74
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)S1	REAL300020294593	1	51	-1.0	-48.13	416.09	8.41	-39.72
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1C	REAL300020294594	0	56	-1.0	-42.93	436.21	12.53	-30.40
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1C	REAL300020294594	1	56	-1.0	-42.88	436.27	12.54	-30.34
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1C	REAL300020294595	0	53	-1.0	-44.18	414.77	11.77	-32.41
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1C	REAL300020294595	1	53	-1.0	-44.15	414.72	11.74	-32.41
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@H](CN3CCOCC3)C2)N1CC1CC1	REAL300020294596	0	56	-1.0	-43.86	434.96	6.44	-37.42
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@H](C[NH+]3CCOCC3)C2)N1CC1CC1	REAL300020294596	1	57	0.0	-61.60	422.51	8.67	-52.93
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@H](CN3CCOCC3)C2)N1CC1CC1	REAL300020294596	1	56	-1.0	-43.86	435.02	6.47	-37.39
OCC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294597	0	54	-1.0	-43.58	430.16	7.97	-35.61
OCC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294597	1	54	-1.0	-43.65	430.22	8.00	-35.65
FC(F)(F)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294598	0	44	-1.0	-39.86	367.61	8.62	-31.24
FC(F)(F)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294598	1	44	-1.0	-39.84	367.66	8.64	-31.20
FC(F)(F)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294599	0	41	-1.0	-41.08	338.21	8.02	-33.06
FC(F)(F)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294599	1	41	-1.0	-41.07	338.27	8.04	-33.03
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294600	0	47	-1.0	-43.12	381.16	5.97	-37.15
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294600	1	47	-1.0	-43.11	381.22	5.98	-37.13
CC1CN(C)C(=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294601	0	44	-1.0	-46.02	359.72	5.21	-40.81
CC1CN(C)C(=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294601	1	44	-1.0	-45.98	359.66	5.18	-40.80
CC1CN(C)C(=O)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294602	0	51	-1.0	-47.78	401.71	7.73	-40.05
CC1CN(C)C(=O)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294602	1	51	-1.0	-47.76	401.75	7.71	-40.05
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294603	0	56	-1.0	-45.41	447.84	8.43	-36.98
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294603	1	56	-1.0	-45.39	447.90	8.45	-36.94
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294604	0	53	-1.0	-45.41	426.87	7.79	-37.62
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294604	1	53	-1.0	-45.42	426.93	7.82	-37.60
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294605	0	57	0.0	-68.66	412.05	7.91	-60.75
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294605	1	57	0.0	-70.96	417.39	6.67	-64.29
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294605	1	57	0.0	-68.68	412.11	7.93	-60.75
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294605	1	57	0.0	-70.96	417.44	6.69	-64.27
C1=CC=C2C(=C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC21CC1	REAL300020294606	0	51	-1.0	-41.14	403.28	11.04	-30.10
C1=CC=C2C(=C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC21CC1	REAL300020294606	1	51	-1.0	-41.13	403.34	11.05	-30.08
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC21CC1	REAL300020294607	0	48	-1.0	-44.13	373.92	10.45	-33.68
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC21CC1	REAL300020294607	1	48	-1.0	-44.09	373.88	10.43	-33.66
C(CC1=NN=C(N(CC2CC2)C2CCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294608	0	50	-1.0	-40.28	398.14	9.52	-30.76
C(CC1=NN=C(N(CC2CC2)C2CCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294608	1	50	-1.0	-40.21	398.19	9.54	-30.67
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CC2)C2CCC2)N1CC1CC1	REAL300020294609	0	47	-1.0	-42.86	377.58	8.76	-34.10
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CC2)C2CCC2)N1CC1CC1	REAL300020294609	1	47	-1.0	-42.86	377.64	8.78	-34.08
C1=CC(C2=NN=C(N(CC3CC3)C3CCC3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020294610	0	54	-1.0	-40.80	416.37	10.81	-29.99
C1=CC(C2=NN=C(N(CC3CC3)C3CCC3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020294610	1	54	-1.0	-40.77	416.25	10.80	-29.97
FC1=CC=CC(F)=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294611	0	47	-1.0	-45.00	399.63	9.76	-35.24
FC1=CC=CC(F)=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294611	1	47	-1.0	-44.99	399.69	9.78	-35.21
CC(C)(C)C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020294612	0	56	-1.0	-46.11	414.17	10.17	-35.94
CC(C)(C)C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294612	1	56	-1.0	-46.06	414.23	10.18	-35.88
ClC1=CC=CC=C1CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294613	0	50	-1.0	-46.62	409.75	11.09	-35.53
ClC1=CC=CC=C1CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294613	1	50	-1.0	-46.65	409.81	11.11	-35.54
CCCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294614	0	52	-1.0	-42.21	428.15	10.02	-32.19
CCCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294614	1	52	-1.0	-42.22	428.21	10.03	-32.19
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294615	0	49	-1.0	-45.33	410.05	9.65	-35.68
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294615	1	49	-1.0	-45.31	410.10	9.67	-35.64
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294616	0	47	-1.0	-40.74	390.70	6.73	-34.01
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294616	1	47	-1.0	-40.71	390.75	6.74	-33.97
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294617	0	44	-1.0	-45.07	362.59	6.11	-38.96
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294617	1	44	-1.0	-45.07	362.53	6.09	-38.98
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294618	0	51	-1.0	-43.43	405.40	8.26	-35.17
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294618	1	51	-1.0	-43.45	405.44	8.25	-35.20
CCCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294619	0	58	-1.0	-40.38	437.37	9.98	-30.40
CCCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294619	1	58	-1.0	-40.38	437.43	9.99	-30.39
CCCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294620	0	55	-1.0	-44.98	415.10	10.06	-34.92
CCCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294620	1	55	-1.0	-44.91	415.16	10.08	-34.83
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294621	0	51	-1.0	-40.40	394.55	8.71	-31.69
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CC1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294669	1	55	-1.0	-44.71	417.35	8.90	-35.81
CC1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294669	1	55	-1.0	-44.73	417.39	8.92	-35.81
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O=[N+]([O-])C1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294670	1	49	-1.0	-43.80	403.78	10.56	-33.24
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CC1C(=O)N(C)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294674	1	51	-1.0	-44.77	407.71	7.65	-37.12
CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294675	0	46	-1.0	-40.43	360.75	6.89	-33.54
CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294675	1	46	-1.0	-40.34	360.81	6.90	-33.44
CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294676	0	43	-1.0	-42.79	339.31	6.13	-36.66
CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294676	1	43	-1.0	-42.77	339.25	6.10	-36.67
CCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294677	0	50	-1.0	-43.82	374.21	8.60	-35.22
CCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294677	1	50	-1.0	-43.74	374.24	8.57	-35.17
CCSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294678	0	53	-1.0	-40.28	420.44	10.23	-30.05
CCSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294678	1	53	-1.0	-40.27	420.50	10.25	-30.02
CCSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294679	0	50	-1.0	-43.11	398.56	9.77	-33.34
CCSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294679	1	50	-1.0	-43.14	398.62	9.80	-33.34
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294680	0	56	0.0	-71.00	428.70	10.97	-60.03
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294680	1	56	0.0	-69.31	413.49	11.07	-58.24
C[C@@H]1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294680	1	55	-1.0	-43.49	436.94	7.71	-35.78
C[C@@H]1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294680	1	55	-1.0	-43.48	437.00	7.74	-35.74
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CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294683	0	46	-1.0	-39.82	377.34	8.47	-31.35
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294683	1	46	-1.0	-39.82	377.40	8.48	-31.34
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294684	0	43	-1.0	-43.54	328.98	7.15	-36.39
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294684	1	43	-1.0	-43.54	328.94	7.14	-36.40
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294685	0	50	-1.0	-42.18	395.53	10.01	-32.17
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294685	1	50	-1.0	-42.20	395.57	10.00	-32.20
OCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294686	0	50	-1.0	-42.50	401.54	5.45	-37.05
OCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294686	1	50	-1.0	-42.49	401.59	5.47	-37.02
OCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294687	0	47	-1.0	-45.04	390.36	5.14	-39.90
OCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294687	1	47	-1.0	-45.01	390.42	5.17	-39.84
OCCCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CC1	REAL300020294688	0	54	-1.0	-44.10	434.85	8.03	-36.07
OCCCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CC1	REAL300020294688	1	54	-1.0	-44.05	434.87	8.01	-36.04
FC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020294689	0	47	-1.0	-40.83	381.91	9.95	-30.88
FC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294689	1	47	-1.0	-40.85	381.97	9.97	-30.88
FC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294690	0	44	-1.0	-43.59	352.56	9.37	-34.22
FC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020294690	1	44	-1.0	-43.59	352.50	9.35	-34.24
FC1=CC=C(CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1	REAL300020294691	0	53	-1.0	-42.14	434.95	11.12	-31.02
FC1=CC=C(CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020294691	1	53	-1.0	-42.14	435.01	11.13	-31.01
FC1=CC=C(CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1	REAL300020294692	0	50	-1.0	-46.25	421.32	10.74	-35.51
FC1=CC=C(CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020294692	1	50	-1.0	-46.17	421.38	10.76	-35.41
CC(CS(C)(=O)=O)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294693	0	48	-1.0	-52.47	392.79	5.28	-47.19
CC(CS(C)(=O)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294693	1	48	-1.0	-52.46	392.84	5.30	-47.16
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294694	0	45	-1.0	-53.21	371.29	4.50	-48.71
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294694	1	45	-1.0	-53.22	371.34	4.52	-48.70
C1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020294695	0	50	-1.0	-41.19	385.58	10.08	-31.11
C1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020294695	1	50	-1.0	-41.17	385.64	10.09	-31.08
C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020294696	0	47	-1.0	-44.09	359.27	9.49	-34.60
C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020294696	1	47	-1.0	-44.06	359.23	9.48	-34.58
OCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294697	0	53	-1.0	-45.43	430.95	7.03	-38.40
OCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294697	1	53	-1.0	-45.44	431.01	7.04	-38.40
OCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294698	0	50	-1.0	-44.84	412.23	6.68	-38.16
OCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294698	1	50	-1.0	-44.83	412.29	6.69	-38.14
CC1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294699	0	44	-1.0	-39.70	363.91	7.01	-32.69
CC1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294699	1	44	-1.0	-39.67	363.97	7.03	-32.64
CC1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294700	0	41	-1.0	-43.11	342.69	6.22	-36.89
CC1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294700	1	41	-1.0	-43.15	342.75	6.23	-36.92
CC1CSCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294701	0	48	-1.0	-41.26	394.94	8.93	-32.33
CC1CSCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294701	1	48	-1.0	-41.21	394.99	8.91	-32.30
OC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294702	0	51	-1.0	-43.66	414.83	8.18	-35.48
OC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294702	1	51	-1.0	-43.68	414.90	8.19	-35.49
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C1=CSC(N2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020294704	0	48	-1.0	-45.78	391.56	6.74	-39.04
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C(CC1=NN=C(N2CCCC3CCCC32)N1CC1CC1)C1=NN=N[N-]1	REAL300020294705	1	50	-1.0	-41.00	388.01	8.92	-32.08
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3CCCC32)N1CC1CC1	REAL300020294706	0	47	-1.0	-46.70	367.61	8.38	-38.32
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3CCCC32)N1CC1CC1	REAL300020294706	1	47	-1.0	-46.74	367.66	8.39	-38.35
C1=CC(C2=NN=C(N3CCCC4CCCC43)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020294707	0	54	-1.0	-41.90	412.52	10.86	-31.04
C1=CC(C2=NN=C(N3CCCC4CCCC43)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020294707	1	54	-1.0	-41.88	412.56	10.85	-31.03
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C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294713	0	50	-1.0	-48.29	408.88	10.21	-38.08
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COCCCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294714	0	56	-1.0	-50.26	453.52	9.65	-40.61
COCCCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294714	1	56	-1.0	-50.22	453.57	9.67	-40.55
C1=CC=C(CN(CC2CCC2)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294715	0	56	-1.0	-42.91	439.82	11.13	-31.78
C1=CC=C(CN(CC2CCC2)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294715	1	56	-1.0	-42.91	439.87	11.15	-31.76
C1=CC=C(CN(CC2CCC2)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294716	0	53	-1.0	-44.10	426.96	10.47	-33.63
C1=CC=C(CN(CC2CCC2)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294716	1	53	-1.0	-44.07	426.90	10.45	-33.62
CCOCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294717	0	49	-1.0	-42.02	390.42	6.43	-35.59
CCOCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294717	1	49	-1.0	-42.05	390.47	6.45	-35.60
CCOCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294718	0	46	-1.0	-43.74	372.03	6.22	-37.52
CCOCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294718	1	46	-1.0	-43.77	372.09	6.24	-37.53
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294719	0	53	-1.0	-44.07	413.04	8.46	-35.61
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294719	1	53	-1.0	-44.13	413.09	8.45	-35.68
COC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020294720	0	51	-1.0	-41.81	405.03	9.18	-32.63
COC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294720	1	51	-1.0	-41.84	405.08	9.20	-32.64
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020294721	0	48	-1.0	-45.45	386.16	7.58	-37.87
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020294721	1	48	-1.0	-45.46	386.10	7.56	-37.90
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C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CC3)C2)N1CC1CC1	REAL300020294759	0	44	-1.0	-45.80	355.39	8.35	-37.45
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C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCOC3)C2)N1CC1CC1	REAL300020294762	0	48	-1.0	-42.94	377.73	6.83	-36.11
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCOC3)C2)N1CC1CC1	REAL300020294762	1	48	-1.0	-42.96	377.79	6.86	-36.10
CC1=CC=NC(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020294763	0	53	-1.0	-43.87	433.20	7.96	-35.91
CC1=CC=NC(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020294763	1	53	-1.0	-43.87	433.27	7.98	-35.89
CCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294764	0	49	-1.0	-40.69	373.10	8.42	-32.27
CCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294764	1	49	-1.0	-40.68	373.16	8.43	-32.25
CCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294765	0	46	-1.0	-43.73	355.48	7.77	-35.96
CCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294765	1	46	-1.0	-43.78	355.54	7.79	-35.99
CCC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020294766	0	53	-1.0	-42.14	407.84	10.54	-31.60
CCC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020294766	1	53	-1.0	-42.07	407.88	10.53	-31.54
CC1(CCC2=CC=CC=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294767	0	56	-1.0	-43.70	443.49	11.59	-32.11
CC1(CCC2=CC=CC=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294767	1	56	-1.0	-43.74	443.55	11.62	-32.12
C(CC1=NN=C(N2CCC(C3CCOCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294768	0	54	-1.0	-42.27	414.18	8.40	-33.87
C(CC1=NN=C(N2CCC(C3CCOCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294768	1	54	-1.0	-42.24	414.23	8.41	-33.83
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCOCC3)C2)N1CC1CC1	REAL300020294769	0	51	-1.0	-44.20	392.66	7.61	-36.59
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCOCC3)C2)N1CC1CC1	REAL300020294769	1	51	-1.0	-44.20	392.72	7.64	-36.56
COC1=CC=C(CC(C)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294770	0	56	-1.0	-43.06	446.73	10.48	-32.58
COC1=CC=C(CC(C)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294770	1	56	-1.0	-43.06	446.79	10.50	-32.56
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294771	0	46	-1.0	-41.48	395.15	9.98	-31.50
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294771	1	46	-1.0	-41.45	395.21	9.99	-31.46
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294772	0	43	-1.0	-43.21	382.51	9.12	-34.09
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294772	1	43	-1.0	-43.21	382.58	9.14	-34.07
CC1=CN=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)S1	REAL300020294773	0	52	-1.0	-41.03	430.02	9.38	-31.65
CC1=CN=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)S1	REAL300020294773	1	52	-1.0	-41.04	430.08	9.40	-31.64
CC1=CN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)S1	REAL300020294774	0	49	-1.0	-43.50	407.06	8.55	-34.95
CC1=CN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)S1	REAL300020294774	1	49	-1.0	-43.51	407.09	8.57	-34.94
CCC1=CN=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)S1	REAL300020294775	0	48	-1.0	-40.17	402.13	8.39	-31.78
CCC1=CN=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)S1	REAL300020294775	1	48	-1.0	-40.17	402.19	8.41	-31.76
CCC1=CN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)S1	REAL300020294776	0	45	-1.0	-42.02	391.60	7.51	-34.51
CCC1=CN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)S1	REAL300020294776	1	45	-1.0	-41.98	391.65	7.54	-34.44
NC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294777	0	50	-1.0	-43.12	399.15	4.99	-38.13
NC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294777	1	50	-1.0	-43.12	399.20	5.00	-38.12
NC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294778	0	47	-1.0	-45.26	374.16	4.44	-40.82
NC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294778	1	47	-1.0	-45.23	374.19	4.45	-40.78
FC1=CC=CN=C1OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294779	0	50	-1.0	-44.78	418.03	7.40	-37.38
FC1=CC=CN=C1OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294779	1	50	-1.0	-44.81	417.97	7.38	-37.43
FC1=CC=CN=C1OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294780	0	50	-1.0	-47.58	413.77	7.35	-40.23
FC1=CC=CN=C1OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294780	1	50	-1.0	-47.58	413.72	7.33	-40.25
CC(C)C1=NC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020294781	0	53	-1.0	-40.06	434.41	8.41	-31.65
CC(C)C1=NC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020294781	1	53	-1.0	-40.10	434.47	8.42	-31.68
CC(C)C1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020294782	0	50	-1.0	-41.17	410.02	7.87	-33.30
CC(C)C1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020294782	1	50	-1.0	-41.17	410.08	7.89	-33.28
CN(C)C(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294783	0	56	-1.0	-46.69	431.75	8.62	-38.07
CN(C)C(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294783	1	56	-1.0	-46.69	431.81	8.63	-38.06
CN(C)C(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294784	0	53	-1.0	-52.25	401.89	8.02	-44.23
CN(C)C(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294784	1	53	-1.0	-52.25	401.93	8.03	-44.22
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294785	0	46	-1.0	-39.94	401.98	9.52	-30.42
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294785	1	46	-1.0	-39.93	402.04	9.53	-30.40
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294786	0	43	-1.0	-40.40	375.60	8.91	-31.49
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294786	1	43	-1.0	-40.41	375.65	8.94	-31.47
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(C)O1	REAL300020294787	0	51	-1.0	-40.47	407.00	6.15	-34.32
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C)O1	REAL300020294787	1	51	-1.0	-40.47	407.06	6.16	-34.31
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C)O1	REAL300020294788	0	48	-1.0	-42.07	388.41	5.47	-36.60
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C)O1	REAL300020294788	1	48	-1.0	-42.03	388.47	5.49	-36.54
CN(CCC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294789	0	47	-1.0	-45.28	392.57	6.49	-38.79
CN(CCC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294789	1	47	-1.0	-45.26	392.62	6.51	-38.75
CN(CCC1=CN=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294790	0	44	-1.0	-49.84	371.69	5.74	-44.10
CN(CCC1=CN=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294790	1	44	-1.0	-49.89	371.75	5.76	-44.13
CC1(C(N)=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294791	0	47	-1.0	-52.25	370.30	3.95	-48.30
CC1(C(N)=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294791	1	47	-1.0	-52.27	370.36	3.96	-48.31
CC1(C(N)=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294792	0	44	-1.0	-54.73	352.67	3.30	-51.43
CC1(C(N)=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294792	1	44	-1.0	-54.78	352.73	3.33	-51.45
CC1(C(N)=O)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020294793	0	51	-1.0	-50.09	402.09	6.03	-44.06
CC1(C(N)=O)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020294793	1	51	-1.0	-50.06	402.13	6.03	-44.03
COC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294794	0	49	-1.0	-44.36	389.69	7.86	-36.50
COC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294794	1	49	-1.0	-44.26	389.75	7.87	-36.39
COC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294795	0	46	-1.0	-48.63	372.07	7.21	-41.42
COC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294795	1	46	-1.0	-48.67	372.12	7.24	-41.43
COCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294796	0	53	-1.0	-40.77	411.95	7.76	-33.01
COCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294796	1	53	-1.0	-40.76	412.01	7.77	-32.99
COCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294797	0	50	-1.0	-42.90	392.11	7.03	-35.87
COCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294797	1	50	-1.0	-42.93	392.17	7.05	-35.88
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(C2CC2)O1	REAL300020294798	0	51	-1.0	-40.33	410.12	8.52	-31.81
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C2CC2)O1	REAL300020294798	1	51	-1.0	-40.32	410.18	8.53	-31.79
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C2CC2)O1	REAL300020294799	0	48	-1.0	-43.13	384.51	7.71	-35.42
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C2CC2)O1	REAL300020294799	1	48	-1.0	-43.15	384.54	7.72	-35.43
CC(C1=CSC=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294800	0	52	-1.0	-42.24	426.38	7.85	-34.39
CC(C1=CSC=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294800	1	52	-1.0	-42.21	426.43	7.86	-34.35
CC(C1=CSC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294800	1	53	0.0	-61.64	427.48	9.95	-51.69
CN(CC1=NC(C(F)(F)F)=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294801	0	42	-1.0	-43.34	389.14	6.97	-36.37
CN(CC1=NC(C(F)(F)F)=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294801	1	42	-1.0	-43.37	389.20	7.00	-36.37
CC1=CC=C(F)C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294802	0	49	-1.0	-42.15	408.15	10.32	-31.83
CC1=CC=C(F)C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294802	1	49	-1.0	-42.18	408.21	10.33	-31.85
CC1=CC=C(F)C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020294803	0	46	-1.0	-43.16	386.11	9.52	-33.64
CC1=CC=C(F)C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020294803	1	46	-1.0	-43.19	386.05	9.50	-33.69
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H](C)O1	REAL300020294804	0	47	-1.0	-40.31	375.84	6.97	-33.34
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020294804	1	47	-1.0	-40.35	375.89	6.99	-33.36
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H](C)O1	REAL300020294805	0	44	-1.0	-44.05	341.58	6.21	-37.84
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020294805	1	44	-1.0	-44.06	341.62	6.22	-37.84
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C[C@H](C)O1	REAL300020294806	0	51	-1.0	-42.91	395.25	8.63	-34.28
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C[C@H](C)O1	REAL300020294806	1	51	-1.0	-42.87	395.28	8.61	-34.26
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294807	0	52	-1.0	-46.18	421.87	9.40	-36.78
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294807	1	52	-1.0	-46.20	421.92	9.42	-36.78
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294808	0	49	-1.0	-46.79	402.27	8.67	-38.12
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294808	1	49	-1.0	-46.82	402.33	8.69	-38.13
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(C)(C)O1	REAL300020294809	0	50	-1.0	-39.63	382.81	7.11	-32.52
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C)(C)O1	REAL300020294809	1	50	-1.0	-39.63	382.87	7.12	-32.51
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C)(C)O1	REAL300020294810	0	47	-1.0	-43.92	364.32	7.16	-36.76
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C)(C)O1	REAL300020294810	1	47	-1.0	-43.94	364.37	7.18	-36.76
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC(C)(C)O1	REAL300020294811	0	54	-1.0	-41.66	407.79	8.96	-32.70
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC(C)(C)O1	REAL300020294811	1	54	-1.0	-41.59	407.82	8.94	-32.65
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294812	0	49	-1.0	-40.67	393.98	10.09	-30.58
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294812	1	49	-1.0	-40.69	394.03	10.11	-30.58
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020294813	0	46	-1.0	-41.41	378.40	9.45	-31.96
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020294813	1	46	-1.0	-41.39	378.35	9.43	-31.96
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(C2=CC=CC=C2)O1	REAL300020294814	0	54	-1.0	-41.70	429.95	10.27	-31.43
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C2=CC=CC=C2)O1	REAL300020294814	1	54	-1.0	-41.70	430.01	10.28	-31.42
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C2=CC=CC=C2)O1	REAL300020294815	0	51	-1.0	-45.65	400.47	9.30	-36.35
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C2=CC=CC=C2)O1	REAL300020294815	1	51	-1.0	-45.64	400.51	9.32	-36.32
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(C)O1	REAL300020294816	0	50	-1.0	-40.20	392.04	8.00	-32.20
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C)O1	REAL300020294816	1	50	-1.0	-40.22	392.09	8.01	-32.21
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C)O1	REAL300020294817	0	47	-1.0	-41.83	370.53	7.21	-34.62
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C)O1	REAL300020294817	1	47	-1.0	-41.83	370.59	7.24	-34.59
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC(C)O1	REAL300020294818	0	54	-1.0	-41.93	416.59	9.85	-32.08
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC(C)O1	REAL300020294818	1	54	-1.0	-41.96	416.63	9.83	-32.13
C1=CC=C(OCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020294819	0	54	-1.0	-45.69	418.17	10.42	-35.27
C1=CC=C(OCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020294819	1	54	-1.0	-45.72	418.21	10.44	-35.28
CN(CCC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294820	0	42	-1.0	-42.51	353.18	7.62	-34.89
CN(CCC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294820	1	42	-1.0	-42.46	353.24	7.64	-34.82
CN(CCC(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294821	0	39	-1.0	-42.76	337.36	6.95	-35.81
CN(CCC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294821	1	39	-1.0	-42.81	337.42	6.98	-35.83
CN(CCC(F)(F)F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294822	0	46	-1.0	-44.54	377.25	9.42	-35.12
CN(CCC(F)(F)F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294822	1	46	-1.0	-44.48	377.29	9.41	-35.07
CCC1=NC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=CS1	REAL300020294823	0	48	-1.0	-40.78	410.02	7.81	-32.97
CCC1=NC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=CS1	REAL300020294823	1	48	-1.0	-40.71	410.07	7.82	-32.89
CCC1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=CS1	REAL300020294824	0	45	-1.0	-43.94	378.71	7.67	-36.27
CCC1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=CS1	REAL300020294824	1	45	-1.0	-43.99	378.76	7.69	-36.30
CN(CC1=CSC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294825	0	42	-1.0	-40.77	368.32	6.64	-34.13
CN(CC1=CSC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294825	1	42	-1.0	-40.76	368.38	6.65	-34.11
CN(CC1=CSC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294826	0	39	-1.0	-42.44	347.46	5.65	-36.79
CN(CC1=CSC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294826	1	39	-1.0	-42.45	347.40	5.62	-36.83
CN(CC1=CSC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294827	0	46	-1.0	-42.34	393.04	8.59	-33.75
CN(CC1=CSC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294827	1	46	-1.0	-42.37	393.09	8.58	-33.79
CN(C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1)S(C)(=O)=O	REAL300020294828	0	51	-1.0	-51.75	401.30	4.89	-46.86
CN(C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1)S(C)(=O)=O	REAL300020294828	1	51	-1.0	-51.75	401.32	4.90	-46.85
CC(C)(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294829	0	52	-1.0	-40.61	393.35	9.18	-31.43
CC(C)(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294829	1	52	-1.0	-40.60	393.41	9.19	-31.41
CC(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294830	0	49	-1.0	-42.34	378.02	8.38	-33.96
CC(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294830	1	49	-1.0	-42.36	378.07	8.40	-33.96
CC(C)(C)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020294831	0	56	-1.0	-42.46	422.43	11.13	-31.33
CC(C)(C)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020294831	1	56	-1.0	-42.40	422.47	11.12	-31.28
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020294832	0	52	-1.0	-40.64	383.86	8.92	-31.72
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020294832	1	52	-1.0	-40.61	383.92	8.93	-31.68
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020294833	0	49	-1.0	-41.97	376.16	8.87	-33.10
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020294833	1	49	-1.0	-41.97	376.22	8.89	-33.08
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1(C)C	REAL300020294834	0	56	-1.0	-42.79	409.46	10.80	-31.99
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1(C)C	REAL300020294834	1	56	-1.0	-42.74	409.49	10.79	-31.95
CC1OCCC12CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CCO2	REAL300020294835	0	52	-1.0	-42.10	397.09	5.89	-36.21
CC1OCCC12CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CCO2	REAL300020294835	1	52	-1.0	-42.06	397.15	5.91	-36.15
CC1OCCC12CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CCO2	REAL300020294836	0	49	-1.0	-44.57	367.69	5.30	-39.27
CC1OCCC12CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CCO2	REAL300020294836	1	49	-1.0	-44.58	367.75	5.32	-39.26
CC1OCCC12CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC(C)O2	REAL300020294837	0	55	-1.0	-39.82	413.35	6.30	-33.52
CC1OCCC12CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC(C)O2	REAL300020294837	1	55	-1.0	-39.86	413.40	6.31	-33.55
CC1OCCC12CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC(C)O2	REAL300020294838	0	52	-1.0	-44.74	385.66	5.70	-39.04
CC1OCCC12CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC(C)O2	REAL300020294838	1	52	-1.0	-44.75	385.69	5.73	-39.02
CC(C)OC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294839	0	55	-1.0	-44.02	422.46	10.07	-33.95
CC(C)OC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294839	1	55	-1.0	-44.02	422.52	10.09	-33.93
COC(=O)C1=CN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)N=N1	REAL300020294840	0	49	-1.0	-51.83	407.13	6.37	-45.46
COC(=O)C1=CN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)N=N1	REAL300020294840	1	49	-1.0	-51.82	407.08	6.35	-45.47
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCN1C1=CC=CC(F)=C1	REAL300020294841	0	48	-1.0	-50.20	391.06	8.39	-41.81
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1C1=CC=CC(F)=C1	REAL300020294841	1	48	-1.0	-50.21	391.12	8.41	-41.80
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC12CCCCC2	REAL300020294842	0	59	-1.0	-41.11	422.21	11.07	-30.04
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC12CCCCC2	REAL300020294842	1	59	-1.0	-41.10	422.27	11.09	-30.01
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC12CCCCC2	REAL300020294843	0	56	-1.0	-44.30	392.81	10.47	-33.83
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC12CCCCC2	REAL300020294843	1	56	-1.0	-44.26	392.87	10.49	-33.77
CCC1(CC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020294844	0	53	-1.0	-39.54	406.11	10.30	-29.24
CCC1(CC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020294844	1	53	-1.0	-39.56	406.16	10.31	-29.25
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020294845	0	50	-1.0	-43.44	393.12	9.45	-33.99
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020294845	1	50	-1.0	-43.43	393.18	9.46	-33.97
C(CC1=NN=C(N2CCSC3(CCOCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294846	0	52	-1.0	-40.35	401.12	8.50	-31.85
C(CC1=NN=C(N2CCSC3(CCOCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294846	1	52	-1.0	-40.36	401.18	8.52	-31.84
C(C1=N[N-]N=N1)C1=NN=C(N2CCSC3(CCOCC3)C2)N1CC1CC1	REAL300020294847	0	49	-1.0	-42.40	371.71	7.91	-34.49
C(C1=NN=N[N-]1)C1=NN=C(N2CCSC3(CCOCC3)C2)N1CC1CC1	REAL300020294847	1	49	-1.0	-42.44	371.77	7.93	-34.51
C(CC1=NN=C(N2CCCC3(CC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020294848	0	47	-1.0	-39.94	376.74	9.25	-30.69
C(CC1=NN=C(N2CCCC3(CC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020294848	1	47	-1.0	-39.92	376.79	9.26	-30.66
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CC3)C2)N1CC1CC1	REAL300020294849	0	44	-1.0	-45.32	355.96	8.42	-36.90
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CC3)C2)N1CC1CC1	REAL300020294849	1	44	-1.0	-45.31	356.01	8.44	-36.87
C1=CC(C2=NN=C(N3CCCC4(CC4)C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020294850	0	51	-1.0	-42.87	389.22	10.30	-32.57
C1=CC(C2=NN=C(N3CCCC4(CC4)C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020294850	1	51	-1.0	-42.82	389.25	10.30	-32.52
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294851	0	55	-1.0	-39.78	409.78	9.78	-30.00
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294851	1	55	-1.0	-39.79	409.84	9.80	-29.99
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294852	0	52	-1.0	-41.53	388.92	8.83	-32.70
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294852	1	52	-1.0	-41.59	388.98	8.85	-32.74
O=C1NC2=CC=CC=C2C12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020294853	0	49	-1.0	-49.96	404.63	7.11	-42.85
O=C1NC2=CC=CC=C2C12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020294853	1	49	-1.0	-49.97	404.69	7.12	-42.85
CC(C)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294854	0	55	-1.0	-39.52	407.31	9.68	-29.84
CC(C)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294854	1	55	-1.0	-39.51	407.37	9.69	-29.82
CC(C)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294855	0	52	-1.0	-43.24	378.41	8.76	-34.48
CC(C)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294855	1	52	-1.0	-43.26	378.47	8.79	-34.47
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294856	0	52	-1.0	-40.51	400.10	9.49	-31.02
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294856	1	52	-1.0	-40.53	400.15	9.50	-31.03
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294857	0	49	-1.0	-43.51	378.69	8.70	-34.81
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294857	1	49	-1.0	-43.48	378.74	8.72	-34.76
CC(C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020294858	0	56	-1.0	-42.19	432.09	11.58	-30.61
CC(C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020294858	1	56	-1.0	-42.17	432.10	11.56	-30.61
COCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294859	0	54	-1.0	-40.85	435.68	6.97	-33.88
COCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294859	1	54	-1.0	-40.88	435.73	6.98	-33.90
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294860	0	51	-1.0	-45.27	404.11	6.24	-39.03
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294860	1	51	-1.0	-45.28	404.16	6.26	-39.02
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294861	0	47	-1.0	-39.77	382.68	6.48	-33.29
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294861	1	47	-1.0	-39.79	382.73	6.50	-33.29
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294862	0	44	-1.0	-44.99	357.38	5.93	-39.06
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294862	1	44	-1.0	-44.98	357.44	5.94	-39.04
COCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020294863	0	51	-1.0	-42.24	406.68	8.67	-33.57
COCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020294863	1	51	-1.0	-42.22	406.69	8.65	-33.57
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294864	0	52	-1.0	-41.04	394.22	9.23	-31.81
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294864	1	52	-1.0	-41.01	394.27	9.25	-31.76
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294865	0	49	-1.0	-44.13	376.67	8.30	-35.83
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294865	1	49	-1.0	-44.16	376.58	8.33	-35.83
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020294866	0	56	-1.0	-42.20	421.99	11.02	-31.18
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020294866	1	56	-1.0	-42.20	422.03	11.02	-31.18
COC(=O)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294867	0	55	-1.0	-45.19	432.23	9.85	-35.34
COC(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294867	1	55	-1.0	-45.20	432.29	9.87	-35.33
COC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294868	0	52	-1.0	-46.85	402.75	9.25	-37.60
COC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294868	1	52	-1.0	-46.84	402.79	9.27	-37.57
CC1(C2=CC=CC=C2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020294869	0	54	-1.0	-42.19	420.47	9.81	-32.38
CC1(C2=CC=CC=C2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020294869	1	54	-1.0	-42.19	420.52	9.82	-32.37
CC1(C2=CC=CC=C2)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020294870	0	51	-1.0	-43.60	387.08	8.69	-34.91
CC1(C2=CC=CC=C2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020294870	1	51	-1.0	-43.64	387.11	8.71	-34.93
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294871	0	47	-1.0	-40.22	371.18	8.93	-31.29
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294871	1	47	-1.0	-40.24	371.24	8.94	-31.30
C=CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294872	0	44	-1.0	-43.02	349.67	8.17	-34.85
C=CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294872	1	44	-1.0	-43.01	349.62	8.14	-34.87
C=CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020294873	0	51	-1.0	-41.92	395.37	10.73	-31.19
C=CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020294873	1	51	-1.0	-41.95	395.40	10.72	-31.23
CCCC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294874	0	56	-1.0	-45.79	439.29	7.69	-38.10
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CC1=CC=C(C)C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020294906	1	55	-1.0	-43.76	438.77	9.90	-33.86
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CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(C)(C)C1	REAL300020294920	0	55	-1.0	-39.64	418.21	9.78	-29.86
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C)(C)C1	REAL300020294920	1	55	-1.0	-39.66	418.26	9.79	-29.87
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C)(C)C1	REAL300020294921	0	52	-1.0	-42.96	393.93	9.22	-33.74
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C)(C)C1	REAL300020294921	1	52	-1.0	-42.96	393.95	9.23	-33.73
CSC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294922	0	50	-1.0	-42.76	414.76	10.59	-32.17
CSC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294922	1	50	-1.0	-42.75	414.82	10.60	-32.15
CSC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294923	0	47	-1.0	-43.84	392.96	9.27	-34.57
CSC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294923	1	47	-1.0	-43.85	392.88	9.25	-34.60
CC(C)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294924	0	55	-1.0	-40.33	417.50	10.29	-30.04
CC(C)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294924	1	55	-1.0	-40.36	417.55	10.31	-30.05
CC(C)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294925	0	52	-1.0	-41.81	399.29	9.62	-32.19
CC(C)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294925	1	52	-1.0	-41.81	399.34	9.64	-32.17
CC(C)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020294926	0	53	-1.0	-41.79	411.68	7.99	-33.80
CC(C)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020294926	1	53	-1.0	-41.82	411.74	8.01	-33.81
CC(C)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020294927	0	50	-1.0	-47.31	392.51	6.27	-41.04
CC(C)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020294927	1	50	-1.0	-47.27	392.56	6.29	-40.98
C1=CC=C(OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)N=C1	REAL300020294928	0	50	-1.0	-43.23	410.55	7.15	-36.08
C1=CC=C(OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)N=C1	REAL300020294928	1	50	-1.0	-43.28	410.50	7.13	-36.15
C1=CC=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)N=C1	REAL300020294929	0	47	-1.0	-47.52	382.95	6.50	-41.02
C1=CC=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)N=C1	REAL300020294929	1	47	-1.0	-47.51	382.92	6.49	-41.02
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=CS1	REAL300020294930	0	50	-1.0	-40.54	406.06	10.25	-30.29
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=CS1	REAL300020294930	1	50	-1.0	-40.49	406.11	10.27	-30.22
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=CS1	REAL300020294931	0	47	-1.0	-43.72	385.92	9.73	-33.99
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=CS1	REAL300020294931	1	47	-1.0	-43.75	385.96	9.75	-34.00
FC1=CC=CC=C1CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294932	0	50	-1.0	-41.84	407.81	9.92	-31.92
FC1=CC=CC=C1CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294932	1	50	-1.0	-41.79	407.86	9.93	-31.86
FC1=CC=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC1	REAL300020294933	0	47	-1.0	-45.58	402.16	10.02	-35.56
FC1=CC=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020294933	1	47	-1.0	-45.57	402.10	9.99	-35.58
CCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294934	0	45	-1.0	-40.56	356.49	7.15	-33.41
CCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294934	1	45	-1.0	-40.54	356.55	7.16	-33.38
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294935	0	49	-1.0	-42.50	379.04	9.16	-33.34
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294935	1	49	-1.0	-42.44	379.08	9.15	-33.29
O=C(NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1)C1CC1	REAL300020294936	0	54	-1.0	-45.74	428.31	7.70	-38.04
O=C(NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1)C1CC1	REAL300020294936	1	54	-1.0	-45.76	428.37	7.71	-38.05
O=C(NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1)C1CC1	REAL300020294937	0	51	-1.0	-47.25	406.75	6.91	-40.34
O=C(NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1)C1CC1	REAL300020294937	1	51	-1.0	-47.24	406.80	6.93	-40.31
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1OC	REAL300020294938	0	48	-1.0	-43.78	387.13	5.86	-37.92
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1OC	REAL300020294938	1	48	-1.0	-43.78	387.19	5.88	-37.90
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1OC	REAL300020294939	0	45	-1.0	-48.37	363.94	5.26	-43.11
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1OC	REAL300020294939	1	45	-1.0	-48.37	363.99	5.27	-43.10
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C[C@@H]1OC	REAL300020294940	0	52	-1.0	-45.56	410.28	7.64	-37.92
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C[C@@H]1OC	REAL300020294940	1	52	-1.0	-45.53	410.30	7.63	-37.90
CCOC(C)C1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020294941	0	51	-1.0	-41.57	430.90	4.92	-36.65
CCOC(C)C1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020294941	1	51	-1.0	-41.51	430.96	4.94	-36.57
O=C1CCCCN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294942	0	57	-1.0	-43.04	440.89	9.16	-33.88
O=C1CCCCN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294942	1	57	-1.0	-43.02	440.95	9.18	-33.84
O=C1CCCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294943	0	54	-1.0	-45.72	419.40	8.38	-37.34
O=C1CCCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294943	1	54	-1.0	-45.73	419.46	8.40	-37.33
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294944	0	58	0.0	-68.34	438.13	10.42	-57.92
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294944	1	58	0.0	-69.34	436.68	10.21	-59.13
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294944	1	58	0.0	-68.36	438.19	10.43	-57.93
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294944	1	58	0.0	-69.33	436.74	10.22	-59.11
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294945	0	55	0.0	-65.56	417.86	9.58	-55.98
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294945	1	55	0.0	-72.85	413.91	9.61	-63.24
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294945	1	55	0.0	-65.55	417.92	9.60	-55.95
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294945	1	55	0.0	-72.90	413.97	9.62	-63.28
COCCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294946	0	54	-1.0	-41.35	437.69	6.98	-34.37
COCCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294946	1	54	-1.0	-41.36	437.75	7.00	-34.36
COCCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294947	0	51	-1.0	-43.95	415.13	6.14	-37.81
COCCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294947	1	51	-1.0	-43.95	415.19	6.17	-37.78
C(CC1=NN=C(N2CCCC3(C2)CCCCCC3)N1CC1CC1)C1=N[N-]N=N1	REAL300020294948	0	59	-1.0	-40.97	417.83	11.52	-29.45
C(CC1=NN=C(N2CCCC3(C2)CCCCCC3)N1CC1CC1)C1=NN=N[N-]1	REAL300020294948	1	59	-1.0	-40.94	417.89	11.53	-29.41
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(C2)CCCCCC3)N1CC1CC1	REAL300020294949	0	56	-1.0	-43.60	388.42	10.92	-32.68
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(C2)CCCCCC3)N1CC1CC1	REAL300020294949	1	56	-1.0	-43.60	388.47	10.93	-32.67
C1=CC=C(SCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020294950	0	51	-1.0	-44.92	416.51	11.16	-33.76
C1=CC=C(SCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020294950	1	51	-1.0	-44.85	416.55	11.17	-33.68
ClC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020294951	0	50	-1.0	-44.19	411.23	11.21	-32.98
ClC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020294951	1	50	-1.0	-44.19	411.27	11.23	-32.96
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294952	0	56	-1.0	-40.05	440.01	11.64	-28.41
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294952	1	56	-1.0	-40.11	440.07	11.66	-28.45
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294953	0	53	-1.0	-44.23	408.71	11.25	-32.98
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294953	1	53	-1.0	-44.20	408.77	11.28	-32.92
C1=CC=C2C(=C1)COC21CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294954	0	52	-1.0	-47.32	417.65	9.19	-38.13
C1=CC=C2C(=C1)COC21CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294954	1	52	-1.0	-47.30	417.71	9.20	-38.10
CN1CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C1=O	REAL300020294955	0	54	-1.0	-51.73	408.72	7.89	-43.84
CN1CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C1=O	REAL300020294955	1	54	-1.0	-51.73	408.78	7.91	-43.82
CN1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C1=O	REAL300020294956	0	51	-1.0	-52.89	391.11	7.25	-45.64
CN1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C1=O	REAL300020294956	1	51	-1.0	-52.84	391.19	7.28	-45.56
CN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294957	0	52	-1.0	-41.20	403.63	7.67	-33.53
CN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294957	1	52	-1.0	-41.24	403.69	7.69	-33.55
CN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294958	0	49	-1.0	-42.34	387.30	7.02	-35.32
CN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294958	1	49	-1.0	-42.33	387.35	7.04	-35.29
CN(CCOC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294959	0	56	-1.0	-42.83	427.24	9.42	-33.41
CN(CCOC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294959	1	56	-1.0	-42.77	427.29	9.42	-33.35
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C2=CSC=C2)O1	REAL300020294960	0	48	-1.0	-42.68	408.24	8.22	-34.46
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C2=CSC=C2)O1	REAL300020294960	1	48	-1.0	-42.66	408.30	8.25	-34.41
C(CC1=NN=C(N2CCOC3(C2)CCCCCC3)N1CC1CC1)C1=N[N-]N=N1	REAL300020294961	0	57	-1.0	-40.52	413.37	9.78	-30.74
C(CC1=NN=C(N2CCOC3(C2)CCCCCC3)N1CC1CC1)C1=NN=N[N-]1	REAL300020294961	1	57	-1.0	-40.57	413.43	9.79	-30.78
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(C2)CCCCCC3)N1CC1CC1	REAL300020294962	0	54	-1.0	-43.66	383.95	9.17	-34.49
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(C2)CCCCCC3)N1CC1CC1	REAL300020294962	1	54	-1.0	-43.73	384.01	9.18	-34.55
CCCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294963	0	56	-1.0	-46.07	438.34	7.55	-38.52
CCCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294963	1	56	-1.0	-46.09	438.40	7.56	-38.53
CCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294964	0	53	-1.0	-49.65	416.79	6.76	-42.89
CCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294964	1	53	-1.0	-49.69	416.83	6.79	-42.90
CNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294965	0	50	-1.0	-49.73	405.61	5.85	-43.88
CNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294965	1	50	-1.0	-49.75	405.66	5.86	-43.89
CNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020294966	0	47	-1.0	-57.19	382.78	5.05	-52.14
CNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294966	1	47	-1.0	-57.22	382.83	5.06	-52.16
CC(=O)NCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020294967	0	51	-1.0	-47.49	419.35	4.69	-42.80
CC(=O)NCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020294967	1	51	-1.0	-47.50	419.40	4.70	-42.80
CC(=O)NCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020294968	0	48	-1.0	-48.96	394.16	3.81	-45.15
CC(=O)NCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020294968	1	48	-1.0	-48.95	394.22	3.84	-45.11
O=C1CC2(CN1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020294969	0	51	-1.0	-48.13	390.16	5.51	-42.62
O=C1CC2(CN1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020294969	1	51	-1.0	-48.16	390.21	5.53	-42.63
O=C1CC2(CN1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020294970	0	48	-1.0	-51.47	380.86	4.97	-46.50
O=C1CC2(CN1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020294970	1	48	-1.0	-51.46	380.91	4.97	-46.49
CNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294971	0	49	-1.0	-46.55	394.28	5.37	-41.18
CNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294971	1	49	-1.0	-46.52	394.34	5.39	-41.13
CNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294972	0	46	-1.0	-46.59	375.71	4.72	-41.87
CNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294972	1	46	-1.0	-46.59	375.76	4.75	-41.84
CNC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294973	0	53	-1.0	-46.78	413.98	6.65	-40.13
CNC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294973	1	53	-1.0	-46.79	414.04	6.67	-40.12
CNC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294974	0	50	-1.0	-52.20	384.49	6.05	-46.15
CNC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294974	1	50	-1.0	-52.22	384.54	6.07	-46.15
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CC(C)(C)NC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020294976	0	55	-1.0	-45.51	431.02	6.75	-38.76
CC(C)(C)NC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020294976	1	55	-1.0	-45.49	431.08	6.78	-38.71
CNC(=O)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294977	0	49	-1.0	-45.36	394.68	5.58	-39.78
CNC(=O)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294977	1	49	-1.0	-45.36	394.73	5.59	-39.77
CNC(=O)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294978	0	46	-1.0	-46.99	365.26	4.98	-42.01
CNC(=O)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294978	1	46	-1.0	-47.02	365.31	4.99	-42.03
CNC(=O)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294979	0	53	-1.0	-47.13	418.73	7.37	-39.76
CNC(=O)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294979	1	53	-1.0	-47.12	418.77	7.36	-39.76
CN1C(=O)NC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C1=O	REAL300020294980	0	49	-1.0	-46.18	392.60	4.72	-41.46
CN1C(=O)NC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C1=O	REAL300020294980	1	49	-1.0	-46.19	392.65	4.75	-41.44
CN(CCCNC(=O)C1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294981	0	56	-1.0	-48.30	442.88	7.68	-40.62
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CN(CCCNC(=O)C1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294982	0	53	-1.0	-48.90	427.04	7.01	-41.89
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CNC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020294986	1	47	-1.0	-57.54	376.49	4.99	-52.55
CNC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020294987	0	48	-1.0	-47.11	393.50	4.87	-42.24
CNC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020294987	1	48	-1.0	-47.07	393.56	4.88	-42.19
CNC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020294988	0	45	-1.0	-48.72	376.51	3.88	-44.84
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CNC(=O)C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020294989	0	49	-1.0	-45.24	392.08	5.64	-39.60
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020294989	1	49	-1.0	-45.18	392.14	5.65	-39.53
CNC(=O)C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020294990	0	46	-1.0	-56.42	377.16	4.77	-51.65
CNC(=O)C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294990	1	46	-1.0	-56.38	377.22	4.77	-51.61
CNC(=O)C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020294991	0	53	-1.0	-47.33	415.78	7.45	-39.88
CNC(=O)C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020294991	1	53	-1.0	-47.31	415.82	7.44	-39.87
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CC(C)C(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020294999	1	49	-1.0	-44.22	398.44	5.65	-38.57
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O=C1N[C@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@@H]2CO1	REAL300020295002	1	46	-1.0	-45.59	376.22	4.25	-41.34
FC(F)(F)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295003	0	46	-1.0	-40.55	374.97	8.72	-31.83
FC(F)(F)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295003	1	46	-1.0	-40.53	375.03	8.73	-31.80
FC(F)(F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295004	0	43	-1.0	-41.94	345.50	8.11	-33.83
FC(F)(F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295004	1	43	-1.0	-41.94	345.54	8.13	-33.81
FC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295005	0	40	-1.0	-39.69	331.85	7.16	-32.53
FC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295005	1	40	-1.0	-39.61	331.91	7.18	-32.43
FC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295006	0	37	-1.0	-39.93	313.45	6.49	-33.44
FC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295006	1	37	-1.0	-39.97	313.51	6.52	-33.45
FC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295007	0	44	-1.0	-41.20	360.02	9.11	-32.09
FC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295007	1	44	-1.0	-41.17	360.05	9.10	-32.07
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295008	0	55	0.0	-71.35	413.16	8.10	-63.25
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295008	1	55	0.0	-71.36	413.22	8.12	-63.24
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295009	0	52	0.0	-71.58	393.00	7.57	-64.01
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295009	1	52	0.0	-71.58	393.04	7.60	-63.98
CCC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295010	0	50	-1.0	-46.26	398.49	7.54	-38.72
CCC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295010	1	50	-1.0	-46.29	398.55	7.55	-38.74
CCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295011	0	47	-1.0	-45.18	381.86	6.58	-38.60
CCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295011	1	47	-1.0	-45.16	381.92	6.61	-38.55
CN(CCN1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295012	0	52	-1.0	-41.83	401.89	4.95	-36.88
CN(CCN1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295012	1	52	-1.0	-41.83	401.95	4.97	-36.86
CN(CCN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295013	0	49	-1.0	-42.32	391.16	4.11	-38.21
CN(CCN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295013	1	49	-1.0	-42.36	391.21	4.13	-38.23
FC1=CC=CC=C1C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295014	0	51	-1.0	-43.05	421.19	9.39	-33.66
FC1=CC=CC=C1C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295014	1	51	-1.0	-43.08	421.25	9.40	-33.68
FC1=CC=CC=C1C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295015	0	48	-1.0	-47.27	392.04	8.47	-38.80
FC1=CC=CC=C1C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295015	1	48	-1.0	-47.28	392.12	8.49	-38.79
FC1=CC=CC(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCO2)=C1	REAL300020295016	0	51	-1.0	-43.80	422.76	9.35	-34.45
FC1=CC=CC(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCO2)=C1	REAL300020295016	1	51	-1.0	-43.86	422.82	9.37	-34.49
FC1=CC=CC(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCO2)=C1	REAL300020295017	0	48	-1.0	-45.28	400.41	8.64	-36.64
FC1=CC=CC(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCO2)=C1	REAL300020295017	1	48	-1.0	-45.29	400.47	8.67	-36.62
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295018	0	49	-1.0	-39.24	381.88	8.62	-30.62
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295018	1	49	-1.0	-39.23	381.94	8.63	-30.60
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295019	0	46	-1.0	-41.70	360.39	7.83	-33.87
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295019	1	46	-1.0	-41.70	360.44	7.86	-33.84
CC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020295020	0	53	-1.0	-41.42	402.19	10.65	-30.77
CC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295020	1	53	-1.0	-41.42	402.11	10.64	-30.78
CCOC(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295021	0	54	-1.0	-45.14	413.59	8.04	-37.10
CCOC(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295021	1	54	-1.0	-45.18	413.62	8.05	-37.13
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1=CC=CC=C1	REAL300020295022	0	52	-1.0	-42.99	417.57	10.89	-32.10
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CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1=CC=CC=C1	REAL300020295023	0	49	-1.0	-42.73	395.63	10.33	-32.40
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CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020295031	0	44	-1.0	-39.09	368.39	8.32	-30.77
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020295031	1	44	-1.0	-39.13	368.45	8.33	-30.80
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CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCS1	REAL300020295033	0	48	-1.0	-40.78	388.90	10.03	-30.75
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CN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295035	0	46	-1.0	-41.40	395.14	10.18	-31.22
CN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295035	1	46	-1.0	-41.46	395.20	10.19	-31.27
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COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1OC	REAL300020295038	1	51	-1.0	-45.85	418.35	7.79	-38.06
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CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295049	1	46	-1.0	-40.35	395.27	10.06	-30.29
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CN(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295058	0	47	-1.0	-41.46	389.40	9.36	-32.10
CN(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295058	1	47	-1.0	-41.40	389.45	9.36	-32.04
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CN(CC1=CC=C2OCCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295060	1	49	-1.0	-43.85	401.49	7.93	-35.92
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295061	0	55	0.0	-64.78	423.47	9.65	-55.13
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295061	1	55	0.0	-64.79	423.52	9.67	-55.12
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295062	0	52	0.0	-62.54	401.82	8.89	-53.65
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295062	1	52	0.0	-62.54	401.76	8.86	-53.68
C(CC1=NN=C(N2CCC3CCCCC3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295063	0	53	-1.0	-39.53	409.02	10.24	-29.29
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C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCCC3C2)N1CC1CC1	REAL300020295064	0	50	-1.0	-44.24	377.61	9.55	-34.69
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCCC3C2)N1CC1CC1	REAL300020295064	1	50	-1.0	-44.23	377.63	9.56	-34.67
C(CC1=NN=C(N2CCN(CC3CCCO3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295065	0	56	-1.0	-42.32	438.84	6.52	-35.80
C(CC1=NN=C(N2CCN(CC3CCCO3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295065	1	56	-1.0	-42.33	438.89	6.53	-35.80
C(CC1=NN=C(N2CC[NH+](CC3CCCO3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295065	1	57	0.0	-66.88	436.04	8.82	-58.06
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C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CCCO3)CC2)N1CC1CC1	REAL300020295066	1	54	0.0	-64.98	412.56	7.97	-57.01
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CC1=CC=CC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295067	1	55	-1.0	-42.84	439.94	8.61	-34.23
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295068	0	50	-1.0	-45.18	407.08	6.20	-38.98
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295068	1	50	-1.0	-45.14	407.14	6.22	-38.92
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295069	0	47	-1.0	-46.46	391.46	5.53	-40.93
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295069	1	47	-1.0	-46.48	391.52	5.56	-40.92
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O=C(CN1C=NN=N1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295070	1	49	-1.0	-57.19	410.65	6.06	-51.13
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295071	0	58	0.0	-67.30	422.54	9.89	-57.41
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295071	1	58	0.0	-67.28	422.60	9.91	-57.37
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295072	0	55	0.0	-67.24	401.00	9.11	-58.13
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295072	1	55	0.0	-67.26	401.04	9.13	-58.13
CC1=CC=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020295073	0	54	-1.0	-42.55	428.03	10.20	-32.35
CC1=CC=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020295073	1	54	-1.0	-42.57	428.05	10.22	-32.35
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295074	0	49	-1.0	-40.37	376.75	9.04	-31.33
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295074	1	49	-1.0	-40.39	376.81	9.06	-31.33
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295075	0	46	-1.0	-43.27	347.28	8.45	-34.82
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295075	1	46	-1.0	-43.28	347.30	8.47	-34.81
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020295076	0	53	-1.0	-42.11	400.96	10.86	-31.25
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295076	1	53	-1.0	-42.06	400.99	10.85	-31.21
CN(CCN1C=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295077	0	46	-1.0	-46.23	384.65	7.36	-38.87
CN(CCN1C=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295077	1	46	-1.0	-46.26	384.60	7.34	-38.92
CN(CCN1C=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295078	0	43	-1.0	-47.91	360.18	6.81	-41.10
CN(CCN1C=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295078	1	43	-1.0	-47.95	360.13	6.79	-41.16
CN(CCN1C=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295079	0	50	-1.0	-47.37	411.11	9.28	-38.09
CN(CCN1C=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295079	1	50	-1.0	-47.35	411.07	9.28	-38.07
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CCOCC3)CC2)N1CC1CC1	REAL300020295080	0	57	0.0	-67.60	434.36	8.38	-59.22
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CCOCC3)CC2)N1CC1CC1	REAL300020295080	1	57	0.0	-67.62	434.42	8.40	-59.22
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295081	0	50	-1.0	-40.59	387.61	7.34	-33.25
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295081	1	50	-1.0	-40.58	387.67	7.35	-33.23
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295082	0	47	-1.0	-42.91	361.97	6.88	-36.03
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295082	1	47	-1.0	-42.91	362.02	6.89	-36.02
COCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295083	0	54	-1.0	-42.39	415.62	9.27	-33.12
COCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295083	1	54	-1.0	-42.37	415.66	9.27	-33.10
C(CC1=NN=C(N2CCCC3(CCCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295084	0	56	-1.0	-41.19	401.13	10.08	-31.11
C(CC1=NN=C(N2CCCC3(CCCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295084	1	56	-1.0	-41.15	401.19	10.10	-31.05
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCCC3)C2)N1CC1CC1	REAL300020295085	0	53	-1.0	-41.61	397.61	9.96	-31.65
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCCC3)C2)N1CC1CC1	REAL300020295085	1	53	-1.0	-41.60	397.66	9.99	-31.61
C(CC1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295086	0	53	0.0	-64.28	410.81	9.74	-54.54
C(CC1=NN=C(N2CCN(C3CCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295086	1	52	-1.0	-39.55	407.50	7.53	-32.02
C(CC1=NN=C(N2CCN(C3CCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295086	1	52	-1.0	-39.56	407.55	7.55	-32.01
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CC1	REAL300020295087	0	50	0.0	-64.08	384.35	9.06	-55.02
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1CC1CC1	REAL300020295087	1	50	0.0	-64.05	384.41	9.08	-54.97
C(C1=N[N-]N=N1)C1=NN=C(N2CCN(C3CCC3)CC2)N1CC1CC1	REAL300020295087	1	49	-1.0	-41.27	388.93	6.58	-34.69
C(C1=NN=N[N-]1)C1=NN=C(N2CCN(C3CCC3)CC2)N1CC1CC1	REAL300020295087	1	49	-1.0	-41.28	388.99	6.60	-34.68
CN1C=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=N1	REAL300020295088	0	52	-1.0	-43.76	419.40	6.63	-37.13
CN1C=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C=N1	REAL300020295088	1	52	-1.0	-43.69	419.35	6.61	-37.08
CN1C=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=N1	REAL300020295089	0	49	-1.0	-44.73	400.77	5.66	-39.07
CN1C=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=N1	REAL300020295089	1	49	-1.0	-44.78	400.71	5.64	-39.14
CC1CCC([NH+]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)CC1	REAL300020295090	0	62	0.0	-64.59	459.57	10.94	-53.65
CC1CCC([NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)CC1	REAL300020295090	1	62	0.0	-64.61	459.63	10.95	-53.66
CC1CCC([NH+]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)CC1	REAL300020295091	0	59	0.0	-67.06	423.99	10.51	-56.55
CC1CCC([NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)CC1	REAL300020295091	1	59	0.0	-67.07	424.03	10.52	-56.55
CCOCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295092	0	53	-1.0	-39.30	420.41	8.27	-31.03
CCOCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295092	1	53	-1.0	-39.26	420.47	8.29	-30.97
CCOCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295093	0	50	-1.0	-42.48	395.42	7.72	-34.76
CCOCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295093	1	50	-1.0	-42.52	395.47	7.75	-34.77
CN(CCNS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295094	0	47	-1.0	-49.09	397.78	2.74	-46.35
CN(CCNS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295094	1	47	-1.0	-49.07	397.84	2.76	-46.31
CN(CCNS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295095	0	44	-1.0	-50.62	376.27	1.96	-48.66
CN(CCNS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295095	1	44	-1.0	-50.64	376.33	1.98	-48.66
CC1(C2=CC=CC=C2)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295096	0	56	-1.0	-42.61	426.39	11.78	-30.83
CC1(C2=CC=CC=C2)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295096	1	56	-1.0	-42.62	426.45	11.79	-30.83
CC1(C2=CC=CC=C2)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295097	0	53	-1.0	-45.87	396.99	11.17	-34.70
CC1(C2=CC=CC=C2)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295097	1	53	-1.0	-45.87	397.05	11.18	-34.69
CCN1C=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020295098	0	49	-1.0	-42.20	407.91	8.00	-34.20
CCN1C=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020295098	1	49	-1.0	-42.19	407.85	7.98	-34.21
CCN1C=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020295099	0	46	-1.0	-43.70	382.13	7.37	-36.33
CCN1C=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020295099	1	46	-1.0	-43.65	382.08	7.35	-36.30
CC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295100	0	49	-1.0	-40.82	370.23	8.58	-32.24
CC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295100	1	49	-1.0	-40.83	370.29	8.60	-32.23
CC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295101	0	46	-1.0	-44.09	340.80	7.97	-36.12
CC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295101	1	46	-1.0	-44.07	340.85	7.99	-36.08
CC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295102	0	53	-1.0	-41.03	405.06	11.01	-30.02
CC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295102	1	53	-1.0	-41.01	405.11	11.01	-30.00
FC1=CC=C(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295103	0	53	-1.0	-42.35	425.95	11.19	-31.16
FC1=CC=C(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295103	1	53	-1.0	-42.34	426.00	11.21	-31.13
FC1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295104	0	50	-1.0	-44.51	404.51	10.41	-34.10
FC1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295104	1	50	-1.0	-44.52	404.57	10.43	-34.09
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCN1C1CC1	REAL300020295105	0	48	-1.0	-47.96	382.58	6.10	-41.86
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCN1C1CC1	REAL300020295105	1	48	-1.0	-47.97	382.64	6.11	-41.86
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCN1C1CC1	REAL300020295106	0	45	-1.0	-48.24	353.63	5.70	-42.54
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1C1CC1	REAL300020295106	1	45	-1.0	-48.24	353.67	5.73	-42.51
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCN1C1=CC=CN=C1	REAL300020295107	0	50	-1.0	-46.63	402.31	6.78	-39.85
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCN1C1=CC=CN=C1	REAL300020295107	1	50	-1.0	-46.62	402.25	6.76	-39.86
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1C1=CC=CN=C1	REAL300020295108	0	47	-1.0	-45.71	374.84	6.21	-39.50
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCN1C1=CC=CN=C1	REAL300020295108	1	47	-1.0	-45.69	374.78	6.20	-39.49
COC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295109	0	49	-1.0	-45.13	402.48	8.32	-36.81
COC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295109	1	49	-1.0	-45.10	402.54	8.34	-36.76
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295110	0	46	-1.0	-47.10	380.41	7.74	-39.36
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295110	1	46	-1.0	-47.08	380.47	7.76	-39.32
C1=CC=C(CC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCO2)C=C1	REAL300020295111	0	54	-1.0	-40.99	439.84	10.08	-30.91
C1=CC=C(CC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCO2)C=C1	REAL300020295111	1	54	-1.0	-41.01	439.89	10.09	-30.92
C1=CC=C(CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCO2)C=C1	REAL300020295112	0	51	-1.0	-44.35	401.08	9.29	-35.06
C1=CC=C(CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCO2)C=C1	REAL300020295112	1	51	-1.0	-44.39	401.13	9.31	-35.08
C1=CC=C(CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCO2)C=C1	REAL300020295113	0	54	-1.0	-43.44	435.59	10.10	-33.34
C1=CC=C(CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCO2)C=C1	REAL300020295113	1	54	-1.0	-43.42	435.65	10.11	-33.31
CC(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020295114	0	50	-1.0	-41.57	389.59	7.29	-34.28
CC(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020295114	1	50	-1.0	-41.55	389.65	7.30	-34.25
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020295115	0	47	-1.0	-44.85	360.22	6.67	-38.18
CC(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020295115	1	47	-1.0	-44.88	360.26	6.70	-38.18
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(C)(C)O1	REAL300020295116	0	53	-1.0	-38.87	416.57	8.05	-30.82
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C)(C)O1	REAL300020295116	1	53	-1.0	-38.90	416.63	8.06	-30.84
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C)(C)O1	REAL300020295117	0	50	-1.0	-40.91	395.09	7.26	-33.65
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C)(C)O1	REAL300020295117	1	50	-1.0	-40.93	395.15	7.28	-33.65
C(CC1=NN=C(N2CCC(C3CCCO3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295118	0	54	-1.0	-40.92	413.98	8.73	-32.19
C(CC1=NN=C(N2CCC(C3CCCO3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295118	1	54	-1.0	-40.92	414.04	8.74	-32.18
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCO3)CC2)N1CC1CC1	REAL300020295119	0	51	-1.0	-45.88	386.78	8.14	-37.74
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCO3)CC2)N1CC1CC1	REAL300020295119	1	51	-1.0	-45.93	386.80	8.16	-37.77
COC(=O)CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295120	0	50	-1.0	-43.08	413.55	7.56	-35.52
COC(=O)CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295120	1	50	-1.0	-43.09	413.60	7.58	-35.51
COC(=O)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295121	0	47	-1.0	-44.54	389.63	6.79	-37.75
COC(=O)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295121	1	47	-1.0	-44.53	389.68	6.82	-37.71
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295122	0	53	-1.0	-40.54	421.35	11.24	-29.30
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295122	1	53	-1.0	-40.52	421.41	11.25	-29.27
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CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295123	1	50	-1.0	-41.82	402.30	10.43	-31.39
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N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295125	1	44	-1.0	-50.51	348.34	8.19	-42.32
N#CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020295126	0	51	-1.0	-48.24	406.60	10.76	-37.48
N#CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295126	1	51	-1.0	-48.25	406.65	10.76	-37.49
CCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295127	0	52	-1.0	-40.87	388.41	9.64	-31.23
CCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295127	1	52	-1.0	-40.86	388.46	9.65	-31.21
CCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295128	0	49	-1.0	-43.76	359.01	9.03	-34.73
CCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295128	1	49	-1.0	-43.76	359.07	9.05	-34.71
CCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295129	0	56	-1.0	-40.93	428.37	11.54	-29.39
CCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295129	1	56	-1.0	-40.78	428.86	11.49	-29.29
CN(CCCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295130	0	52	-1.0	-41.40	416.46	11.05	-30.35
CN(CCCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295130	1	52	-1.0	-41.40	416.51	11.06	-30.34
CN(CCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295131	0	49	-1.0	-42.07	400.63	10.38	-31.69
CN(CCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295131	1	49	-1.0	-42.09	400.69	10.40	-31.69
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295132	0	49	-1.0	-41.18	402.26	8.36	-32.82
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295132	1	49	-1.0	-41.24	402.31	8.37	-32.87
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295133	0	46	-1.0	-44.64	374.33	7.70	-36.94
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295133	1	46	-1.0	-44.66	374.38	7.72	-36.94
C(CC1=NN=C(N2CCCC3(CCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295134	0	53	-1.0	-40.08	402.43	10.02	-30.06
C(CC1=NN=C(N2CCCC3(CCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295134	1	53	-1.0	-40.08	402.49	10.03	-30.05
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCC3)C2)N1CC1CC1	REAL300020295135	0	50	-1.0	-45.00	381.59	9.35	-35.65
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCC3)C2)N1CC1CC1	REAL300020295135	1	50	-1.0	-45.06	381.65	9.38	-35.68
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020295136	0	44	-1.0	-42.04	353.89	5.75	-36.29
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020295136	1	44	-1.0	-42.09	353.94	5.76	-36.33
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020295137	0	41	-1.0	-44.98	324.55	5.15	-39.83
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020295137	1	41	-1.0	-44.96	324.51	5.13	-39.83
CN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1=O	REAL300020295138	0	48	-1.0	-44.13	379.25	7.54	-36.59
CN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1=O	REAL300020295138	1	48	-1.0	-44.04	379.29	7.53	-36.51
CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295139	0	50	-1.0	-40.81	402.03	7.69	-33.12
CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295139	1	50	-1.0	-40.81	402.09	7.70	-33.11
CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295140	0	47	-1.0	-45.39	374.15	7.02	-38.37
CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295140	1	47	-1.0	-45.41	374.18	7.05	-38.36
CCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295141	0	54	-1.0	-43.56	420.85	9.73	-33.83
CCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295141	1	54	-1.0	-43.59	420.89	9.73	-33.86
COC1=CC=C(Cl)C=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295142	0	47	-1.0	-42.71	401.78	8.63	-34.08
COC1=CC=C(Cl)C=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295142	1	47	-1.0	-42.73	401.83	8.66	-34.07
C(CC1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295143	0	53	0.0	-67.10	408.52	9.68	-57.42
C(CC1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295143	1	53	0.0	-67.14	408.58	9.70	-57.44
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CC1	REAL300020295144	0	50	0.0	-68.56	379.74	9.05	-59.51
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1CC1CC1	REAL300020295144	1	50	0.0	-68.51	379.76	9.06	-59.45
FC(F)(F)COC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295145	0	47	-1.0	-47.74	393.72	7.48	-40.26
FC(F)(F)COC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295145	1	47	-1.0	-47.82	393.75	7.51	-40.31
CN(CC12CC3CC(CC(C3)C1)C2)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295146	0	60	-1.0	-41.66	430.81	10.65	-31.01
CN(CC12CC3CC(CC(C3)C1)C2)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295146	1	60	-1.0	-41.69	430.87	10.66	-31.03
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CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295150	0	48	-1.0	-48.74	401.18	10.45	-38.29
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295150	1	48	-1.0	-48.78	401.24	10.47	-38.31
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295151	0	45	-1.0	-49.00	380.02	9.61	-39.39
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295151	1	45	-1.0	-49.02	379.96	9.58	-39.44
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COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295153	1	49	-1.0	-43.32	411.78	9.43	-33.89
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C1=CC=C(OCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295155	1	51	-1.0	-44.90	407.01	9.60	-35.30
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CCS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295156	1	52	-1.0	-47.90	428.46	5.95	-41.95
CCS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295157	0	49	-1.0	-48.70	406.90	5.15	-43.55
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CN(CCC1=NC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295159	0	42	-1.0	-44.39	363.93	6.71	-37.68
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C1=CSC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020295167	0	44	-1.0	-43.33	371.66	9.30	-34.03
C1=CSC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020295167	1	44	-1.0	-43.33	371.60	9.28	-34.05
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C(CC1=NN=C(N2CCC3(C2)CCOCC3)N1CC1CC1)C1=NN=N[N-]1	REAL300020295168	1	51	-1.0	-40.25	393.33	7.39	-32.86
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)CCOCC3)N1CC1CC1	REAL300020295169	0	48	-1.0	-44.50	374.09	6.68	-37.82
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)CCOCC3)N1CC1CC1	REAL300020295169	1	48	-1.0	-44.49	374.14	6.70	-37.79
CN(CCN1CCOC(C)(C)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295170	0	58	-1.0	-40.09	448.13	6.39	-33.70
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CN(CCN1CCOC(C)(C)C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295171	0	55	-1.0	-42.05	421.71	5.77	-36.28
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CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295171	1	56	0.0	-65.31	428.22	7.74	-57.57
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295171	1	56	0.0	-62.75	423.66	7.91	-54.84
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1N1CCOCC1	REAL300020295172	0	56	-1.0	-40.89	430.06	5.82	-35.07
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1N1CCOCC1	REAL300020295172	1	56	-1.0	-40.93	430.12	5.84	-35.09
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1[NH+]1CCOCC1	REAL300020295172	1	57	0.0	-65.31	425.65	7.89	-57.42
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1N1CCOCC1	REAL300020295173	0	53	-1.0	-43.71	401.13	5.17	-38.54
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1N1CCOCC1	REAL300020295173	1	53	-1.0	-43.70	401.16	5.20	-38.50
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1[NH+]1CCOCC1	REAL300020295173	1	54	0.0	-61.25	391.20	7.32	-53.93
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020295174	0	50	-1.0	-39.09	400.25	9.36	-29.73
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020295174	1	50	-1.0	-39.09	400.30	9.38	-29.71
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020295175	0	47	-1.0	-41.89	369.97	8.62	-33.27
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020295175	1	47	-1.0	-41.92	370.05	8.64	-33.28
CN1C=C(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=N1	REAL300020295176	0	53	-1.0	-46.43	425.96	9.23	-37.20
CN1C=C(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=N1	REAL300020295176	1	53	-1.0	-46.40	425.91	9.22	-37.18
CN1C=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=N1	REAL300020295177	0	50	-1.0	-48.76	404.45	8.46	-40.30
CN1C=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=N1	REAL300020295177	1	50	-1.0	-48.79	404.39	8.43	-40.36
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCC1C1=CC=CC=C1	REAL300020295178	0	56	-1.0	-41.64	435.75	11.65	-29.99
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCC1C1=CC=CC=C1	REAL300020295178	1	56	-1.0	-41.70	435.80	11.68	-30.02
CC(N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1)C(F)(F)F	REAL300020295179	0	51	-1.0	-40.90	402.61	6.46	-34.44
CC(N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1)C(F)(F)F	REAL300020295179	1	51	-1.0	-40.86	402.67	6.48	-34.38
CC(N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1)C(F)(F)F	REAL300020295180	0	48	-1.0	-43.91	390.42	6.00	-37.91
CC(N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1)C(F)(F)F	REAL300020295180	1	48	-1.0	-43.89	390.47	6.02	-37.87
NC(=O)COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295181	0	51	-1.0	-46.99	418.78	4.89	-42.10
NC(=O)COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295181	1	51	-1.0	-47.00	418.84	4.91	-42.09
NC(=O)COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295182	0	48	-1.0	-50.36	390.88	4.24	-46.12
NC(=O)COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295182	1	48	-1.0	-50.38	390.92	4.25	-46.13
COC(=O)C1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295183	0	46	-1.0	-45.27	378.09	7.59	-37.68
COC(=O)C1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295183	1	46	-1.0	-45.27	378.15	7.61	-37.66
COC(=O)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295184	0	43	-1.0	-49.80	359.14	6.92	-42.88
COC(=O)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295184	1	43	-1.0	-49.81	359.20	6.94	-42.87
C(CC1=NN=C(N2CCOC3(CCCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295185	0	54	-1.0	-40.47	412.94	9.08	-31.39
C(CC1=NN=C(N2CCOC3(CCCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295185	1	54	-1.0	-40.51	413.00	9.09	-31.42
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCCCC3)C2)N1CC1CC1	REAL300020295186	0	51	-1.0	-43.79	375.92	8.34	-35.45
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCCCC3)C2)N1CC1CC1	REAL300020295186	1	51	-1.0	-43.74	375.98	8.36	-35.38
FC1=CC=CC(C=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295187	0	51	-1.0	-43.51	418.08	10.99	-32.52
FC1=CC=CC(C=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295187	1	51	-1.0	-43.55	418.14	11.01	-32.54
FC1=CC=CC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295188	0	53	-1.0	-45.45	420.85	11.27	-34.18
FC1=CC=CC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295188	1	53	-1.0	-45.42	420.89	11.30	-34.12
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295189	0	44	-1.0	-40.78	357.48	6.21	-34.57
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295189	1	44	-1.0	-40.82	357.53	6.22	-34.60
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295190	0	41	-1.0	-44.94	336.45	5.45	-39.49
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295190	1	41	-1.0	-44.94	336.39	5.45	-39.49
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020295191	0	48	-1.0	-43.01	373.99	7.88	-35.13
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020295191	1	48	-1.0	-42.99	374.02	7.85	-35.14
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295192	0	54	-1.0	-43.68	428.93	7.64	-36.04
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295192	1	54	-1.0	-43.72	429.00	7.66	-36.06
CC1=NC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)S1	REAL300020295193	0	45	-1.0	-40.97	379.86	7.37	-33.60
CC1=NC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)S1	REAL300020295193	1	45	-1.0	-40.98	379.91	7.39	-33.59
CC1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)S1	REAL300020295194	0	42	-1.0	-42.90	350.43	6.77	-36.13
CC1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)S1	REAL300020295194	1	42	-1.0	-42.87	350.49	6.79	-36.08
CN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295195	0	43	-1.0	-40.19	349.08	8.04	-32.15
CN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295195	1	43	-1.0	-40.18	349.14	8.05	-32.13
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295196	0	47	-1.0	-40.88	384.57	9.94	-30.94
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295196	1	47	-1.0	-40.87	384.61	9.93	-30.94
CC1=CC=CC(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020295197	0	53	-1.0	-42.49	430.26	9.92	-32.57
CC1=CC=CC(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020295197	1	53	-1.0	-42.53	430.32	9.94	-32.59
CC1=CC=CC(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020295198	0	50	-1.0	-43.46	408.75	9.13	-34.33
CC1=CC=CC(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020295198	1	50	-1.0	-43.39	408.81	9.15	-34.24
CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295199	0	46	-1.0	-42.60	386.84	9.65	-32.95
CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295199	1	46	-1.0	-42.57	386.89	9.67	-32.90
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295200	0	43	-1.0	-44.00	362.65	8.47	-35.53
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295200	1	43	-1.0	-43.93	362.62	8.44	-35.49
COC1=CC=C(CCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020295201	0	56	-1.0	-41.55	456.22	10.28	-31.27
COC1=CC=C(CCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295201	1	56	-1.0	-41.51	456.28	10.30	-31.21
COC1=CC=C(CCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020295202	0	53	-1.0	-43.32	430.14	9.68	-33.64
COC1=CC=C(CCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295202	1	53	-1.0	-43.38	430.20	9.70	-33.68
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295203	0	56	-1.0	-41.72	450.69	10.72	-31.00
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295203	1	56	-1.0	-41.75	450.75	10.74	-31.01
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295204	0	53	-1.0	-42.82	429.18	9.94	-32.88
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295204	1	53	-1.0	-42.82	429.24	9.96	-32.86
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295205	0	61	0.0	-69.51	447.49	10.92	-58.59
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295205	1	61	0.0	-69.81	445.58	10.70	-59.11
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295205	1	61	0.0	-69.49	447.55	10.93	-58.56
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295205	1	61	0.0	-69.81	445.64	10.71	-59.10
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295206	0	58	0.0	-70.85	425.94	10.13	-60.72
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295206	1	58	0.0	-71.31	424.05	9.92	-61.39
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295206	1	58	0.0	-70.83	425.99	10.16	-60.67
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295206	1	58	0.0	-71.26	424.08	9.95	-61.31
O=C(C1=CSC=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295207	0	48	-1.0	-47.59	401.10	7.62	-39.97
O=C(C1=CSC=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295207	1	48	-1.0	-47.56	401.15	7.65	-39.91
CC(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295208	0	48	-1.0	-40.65	374.13	8.54	-32.11
CC(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295208	1	48	-1.0	-40.66	374.18	8.55	-32.11
CC(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295209	0	45	-1.0	-41.41	358.29	7.86	-33.55
CC(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295209	1	45	-1.0	-41.40	358.35	7.88	-33.52
CC(C)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295210	0	52	-1.0	-41.94	408.14	10.60	-31.34
CC(C)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295210	1	52	-1.0	-41.97	408.17	10.60	-31.37
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295211	0	46	-1.0	-43.87	375.72	7.70	-36.17
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295211	1	46	-1.0	-43.89	375.77	7.71	-36.18
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295212	0	43	-1.0	-44.01	354.20	6.91	-37.10
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295212	1	43	-1.0	-44.00	354.26	6.94	-37.06
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295213	0	50	-1.0	-46.01	400.36	9.53	-36.48
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295213	1	50	-1.0	-46.00	400.40	9.52	-36.48
COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295214	0	48	-1.0	-44.12	390.68	6.57	-37.55
COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295214	1	48	-1.0	-44.15	390.74	6.59	-37.56
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295215	0	45	-1.0	-44.18	374.06	5.64	-38.54
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295215	1	45	-1.0	-44.24	374.11	5.66	-38.58
CN(CC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295216	0	48	-1.0	-40.46	373.72	7.85	-32.61
CN(CC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295216	1	48	-1.0	-40.49	373.78	7.87	-32.62
CN(CC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295217	0	45	-1.0	-45.62	352.10	8.16	-37.46
CN(CC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295217	1	45	-1.0	-45.62	352.04	8.15	-37.47
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295218	0	52	-1.0	-41.68	398.99	10.81	-30.87
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295218	1	52	-1.0	-41.68	399.04	10.80	-30.88
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295219	0	61	0.0	-66.69	461.06	10.62	-56.07
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295219	1	61	0.0	-66.72	461.11	10.64	-56.08
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295220	0	58	0.0	-68.91	428.56	10.16	-58.75
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295220	1	58	0.0	-68.91	428.59	10.18	-58.73
CN1N=CC=C1C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295221	0	53	-1.0	-44.68	413.21	8.22	-36.46
CN1N=CC=C1C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295221	1	53	-1.0	-44.66	413.27	8.23	-36.43
CN1N=CC=C1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295222	0	50	-1.0	-45.56	400.91	8.12	-37.44
CN1N=CC=C1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295222	1	50	-1.0	-45.54	400.97	8.15	-37.39
COCCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295223	0	54	-1.0	-45.34	425.58	7.00	-38.34
COCCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295223	1	54	-1.0	-45.39	425.64	7.02	-38.37
COCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295224	0	51	-1.0	-48.53	396.18	6.40	-42.13
COCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295224	1	51	-1.0	-48.50	396.24	6.42	-42.08
CN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295225	0	43	-1.0	-40.19	349.08	8.04	-32.15
CN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295225	1	43	-1.0	-40.18	349.14	8.05	-32.13
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295226	0	47	-1.0	-40.88	384.57	9.94	-30.94
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295226	1	47	-1.0	-40.87	384.61	9.93	-30.94
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1C1=CC=CC=C1	REAL300020295227	0	56	-1.0	-41.74	429.95	11.10	-30.64
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1C1=CC=CC=C1	REAL300020295227	1	56	-1.0	-41.73	430.01	11.12	-30.61
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1C1=CC=CC=C1	REAL300020295228	0	53	-1.0	-45.48	400.65	10.39	-35.09
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C1=CC=CC=C1	REAL300020295228	1	53	-1.0	-45.53	400.73	10.41	-35.12
O=C(C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1)C(F)(F)F	REAL300020295229	0	48	-1.0	-42.02	399.34	8.61	-33.41
O=C(C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1)C(F)(F)F	REAL300020295229	1	48	-1.0	-41.99	399.40	8.63	-33.36
O=C(C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1)C(F)(F)F	REAL300020295230	0	45	-1.0	-42.79	369.87	8.02	-34.77
O=C(C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1)C(F)(F)F	REAL300020295230	1	45	-1.0	-42.81	369.89	8.04	-34.77
C(CC1=NN=C(N2CCC3C(CCC[N@@H+]3C3CC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295231	0	60	0.0	-65.22	444.32	10.81	-54.41
C(CC1=NN=C(N2CCC3C(CCC[N@H+]3C3CC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295231	1	60	0.0	-65.36	440.43	10.98	-54.38
C(CC1=NN=C(N2CCC3C(CCC[N@@H+]3C3CC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295231	1	60	0.0	-65.23	444.38	10.82	-54.41
C(CC1=NN=C(N2CCC3C(CCC[N@H+]3C3CC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295231	1	60	0.0	-65.36	440.49	10.99	-54.37
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3C(CCC[N@@H+]3C3CC3)C2)N1CC1CC1	REAL300020295232	0	57	0.0	-67.54	425.68	10.01	-57.53
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3C(CCC[N@H+]3C3CC3)C2)N1CC1CC1	REAL300020295232	1	57	0.0	-65.63	423.86	10.27	-55.36
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3C(CCC[N@@H+]3C3CC3)C2)N1CC1CC1	REAL300020295232	1	57	0.0	-67.55	425.73	10.03	-57.52
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3C(CCC[N@H+]3C3CC3)C2)N1CC1CC1	REAL300020295232	1	57	0.0	-65.64	423.92	10.29	-55.35
CN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295233	0	46	-1.0	-39.33	376.92	8.74	-30.59
CN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295233	1	46	-1.0	-39.34	376.97	8.76	-30.58
CN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295234	0	43	-1.0	-43.11	349.08	8.11	-35.00
CN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295234	1	43	-1.0	-43.09	349.03	8.09	-35.00
CN(CCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295235	0	50	-1.0	-40.98	401.78	10.62	-30.36
CN(CCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295235	1	50	-1.0	-40.95	401.81	10.61	-30.34
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295236	0	54	-1.0	-42.62	427.31	6.99	-35.63
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295236	1	54	-1.0	-42.60	427.37	7.00	-35.60
CCOCCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295237	0	51	-1.0	-44.16	401.80	6.53	-37.63
CCOCCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295237	1	51	-1.0	-44.19	401.86	6.54	-37.65
COCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295238	0	46	-1.0	-40.96	368.73	6.32	-34.64
COCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295238	1	46	-1.0	-40.95	368.79	6.33	-34.62
COCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295239	0	43	-1.0	-42.88	339.32	5.72	-37.16
COCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295239	1	43	-1.0	-42.93	339.37	5.73	-37.20
COCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295240	0	50	-1.0	-42.77	392.79	8.11	-34.66
COCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295240	1	50	-1.0	-42.76	392.83	8.10	-34.66
CC(=O)N(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295241	0	53	-1.0	-47.15	409.67	7.89	-39.26
CC(=O)N(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295241	1	53	-1.0	-47.16	409.73	7.91	-39.25
CC(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295242	0	50	-1.0	-51.85	380.31	7.32	-44.53
CC(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295242	1	50	-1.0	-51.90	380.36	7.33	-44.57
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(C)S1	REAL300020295243	0	47	-1.0	-38.32	386.16	9.17	-29.15
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C)S1	REAL300020295243	1	47	-1.0	-38.35	386.22	9.19	-29.16
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C)S1	REAL300020295244	0	44	-1.0	-40.03	364.67	8.39	-31.64
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C)S1	REAL300020295244	1	44	-1.0	-40.05	364.72	8.41	-31.64
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC(C)S1	REAL300020295245	0	51	-1.0	-40.24	414.37	10.65	-29.59
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC(C)S1	REAL300020295245	1	51	-1.0	-40.21	414.42	10.64	-29.57
CC1CC[NH+](CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)CC1	REAL300020295246	0	62	0.0	-62.96	460.26	11.53	-51.43
CC1CC[NH+](CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)CC1	REAL300020295246	1	62	0.0	-62.92	460.32	11.55	-51.37
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295247	0	62	0.0	-65.34	459.90	11.23	-54.11
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295247	1	62	0.0	-64.93	451.66	11.09	-53.84
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295247	1	62	0.0	-65.35	459.96	11.26	-54.09
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295247	1	62	0.0	-64.94	451.71	11.11	-53.83
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295248	0	44	-1.0	-43.40	362.88	5.68	-37.72
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295248	1	44	-1.0	-43.39	362.94	5.69	-37.70
CN(CC1=CN=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295249	0	41	-1.0	-42.98	352.39	4.87	-38.11
CN(CC1=CN=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295249	1	41	-1.0	-42.96	352.33	4.85	-38.11
CN(CC1=CN=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295250	0	48	-1.0	-44.25	390.17	7.45	-36.80
CN(CC1=CN=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295250	1	48	-1.0	-44.20	390.21	7.44	-36.76
C(CC1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295251	0	53	0.0	-66.01	398.00	9.25	-56.76
C(CC1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295251	1	53	0.0	-64.12	407.32	9.42	-54.70
C(CC1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295251	1	53	0.0	-66.01	398.06	9.28	-56.73
C(CC1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295251	1	53	0.0	-64.08	407.37	9.44	-54.64
C(CC1=NN=C(N2CCN3CCCCC3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295251	1	52	-1.0	-40.66	395.19	7.03	-33.63
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CC1	REAL300020295252	0	50	0.0	-65.40	376.56	8.50	-56.90
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CC1	REAL300020295252	1	50	0.0	-65.33	384.53	8.64	-56.69
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1CC1CC1	REAL300020295252	1	50	0.0	-65.36	376.50	8.48	-56.88
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1CC1CC1	REAL300020295252	1	50	0.0	-65.35	384.48	8.63	-56.72
C(C1=N[N-]N=N1)C1=NN=C(N2CCN3CCCCC3C2)N1CC1CC1	REAL300020295252	1	49	-1.0	-43.70	365.77	6.42	-37.28
C(C1=NN=N[N-]1)C1=NN=C(N2CCN3CCCCC3C2)N1CC1CC1	REAL300020295252	1	49	-1.0	-43.73	365.83	6.43	-37.30
CN(CCCOC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295253	0	50	-1.0	-42.34	415.52	9.25	-33.09
CN(CCCOC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295253	1	50	-1.0	-42.34	415.58	9.28	-33.06
CC(C)CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295254	0	59	-1.0	-40.03	452.61	9.86	-30.17
CC(C)CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295254	1	59	-1.0	-40.01	452.66	9.87	-30.14
CC(C)CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295255	0	56	-1.0	-43.01	431.05	9.07	-33.94
CC(C)CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295255	1	56	-1.0	-43.05	431.10	9.10	-33.95
CN(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295256	0	46	-1.0	-43.04	399.15	9.56	-33.48
CN(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295256	1	46	-1.0	-43.00	399.21	9.58	-33.42
CC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295257	0	45	-1.0	-41.30	355.54	8.06	-33.24
CC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295257	1	45	-1.0	-41.33	355.60	8.08	-33.25
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295258	0	49	-1.0	-42.99	378.90	9.90	-33.09
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295258	1	49	-1.0	-43.00	378.94	9.90	-33.10
COC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295259	0	54	-1.0	-45.64	423.98	9.99	-35.65
COC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295259	1	54	-1.0	-45.65	424.01	10.01	-35.64
C1=NN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=N1	REAL300020295260	0	49	-1.0	-44.40	399.22	9.88	-34.52
C1=NN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C=N1	REAL300020295260	1	49	-1.0	-44.42	399.16	9.87	-34.55
C1=NN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=N1	REAL300020295261	0	46	-1.0	-48.03	371.75	9.24	-38.79
C1=NN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=N1	REAL300020295261	1	46	-1.0	-47.99	371.71	9.22	-38.77
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295262	0	46	-1.0	-42.38	359.12	9.04	-33.34
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295262	1	46	-1.0	-42.43	359.16	9.03	-33.40
CN(CCC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295263	0	52	-1.0	-47.93	425.20	11.53	-36.40
CN(CCC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295263	1	52	-1.0	-47.92	425.25	11.54	-36.38
CN(CC1CCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295264	0	49	-1.0	-41.14	385.90	9.07	-32.07
CN(CC1CCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295264	1	49	-1.0	-41.13	385.96	9.08	-32.05
CN(CC1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295265	0	46	-1.0	-41.17	366.48	8.31	-32.86
CN(CC1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295265	1	46	-1.0	-41.22	366.54	8.34	-32.88
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CN(CC1CCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295266	1	53	-1.0	-42.37	402.80	11.02	-31.35
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FC(F)(F)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295316	1	43	-1.0	-42.16	360.87	8.03	-34.13
O=C1CCCN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295317	0	51	-1.0	-47.43	401.61	7.73	-39.70
O=C1CCCN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295317	1	51	-1.0	-47.46	401.66	7.74	-39.72
O=C1CCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295318	0	48	-1.0	-53.94	378.81	7.13	-46.81
O=C1CCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295318	1	48	-1.0	-53.95	378.87	7.14	-46.81
N#CC1=CC=CC(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCO2)=C1	REAL300020295319	0	49	-1.0	-44.44	414.83	8.96	-35.48
N#CC1=CC=CC(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCO2)=C1	REAL300020295319	1	49	-1.0	-44.44	414.89	8.98	-35.46
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCN1CC(F)(F)F	REAL300020295320	0	51	-1.0	-42.03	416.69	7.07	-34.96
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCN1CC(F)(F)F	REAL300020295320	1	51	-1.0	-42.02	416.75	7.08	-34.94
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCN1CC(F)(F)F	REAL300020295321	0	48	-1.0	-45.45	375.08	5.65	-39.80
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1CC(F)(F)F	REAL300020295321	1	48	-1.0	-45.41	375.14	5.66	-39.75
CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295322	0	43	-1.0	-42.66	343.41	7.41	-35.25
CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295322	1	43	-1.0	-42.62	343.47	7.42	-35.20
CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295323	0	40	-1.0	-46.67	327.33	6.95	-39.72
CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295323	1	40	-1.0	-46.69	327.39	6.98	-39.71
CC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295324	0	47	-1.0	-45.43	373.89	9.58	-35.85
CC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295324	1	47	-1.0	-45.47	373.93	9.58	-35.89
COCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020295325	0	51	-1.0	-41.44	406.89	5.93	-35.51
COCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020295325	1	51	-1.0	-41.42	406.94	5.94	-35.48
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020295326	0	48	-1.0	-47.22	387.62	4.16	-43.06
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020295326	1	48	-1.0	-47.17	387.68	4.19	-42.98
C(CC1=NN=C(N2CCCC(CC3CCOC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295327	0	57	-1.0	-41.69	433.90	9.09	-32.60
C(CC1=NN=C(N2CCCC(CC3CCOC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295327	1	57	-1.0	-41.71	433.96	9.10	-32.61
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(CC3CCOC3)C2)N1CC1CC1	REAL300020295328	0	54	-1.0	-42.90	415.70	8.41	-34.49
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(CC3CCOC3)C2)N1CC1CC1	REAL300020295328	1	54	-1.0	-42.90	415.76	8.44	-34.46
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC12CCC2	REAL300020295329	0	53	-1.0	-40.84	391.95	9.22	-31.62
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC12CCC2	REAL300020295329	1	53	-1.0	-40.82	392.00	9.24	-31.58
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC12CCC2	REAL300020295330	0	50	-1.0	-44.30	380.28	9.06	-35.24
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC12CCC2	REAL300020295330	1	50	-1.0	-44.33	380.33	9.07	-35.26
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295331	0	50	-1.0	-42.28	382.95	7.23	-35.05
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295331	1	50	-1.0	-42.26	383.00	7.25	-35.01
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295332	0	47	-1.0	-44.09	353.53	6.62	-37.47
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295332	1	47	-1.0	-44.16	353.59	6.64	-37.52
COC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295333	0	54	-1.0	-41.50	418.08	9.06	-32.44
COC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295333	1	54	-1.0	-41.48	418.13	9.05	-32.43
COC(=O)C(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295334	0	55	-1.0	-49.38	420.24	9.04	-40.34
COC(=O)C(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295334	1	55	-1.0	-49.49	420.30	9.06	-40.43
C[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCN1S(C)(=O)=O	REAL300020295335	0	51	-1.0	-46.18	400.18	4.39	-41.79
C[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCN1S(C)(=O)=O	REAL300020295335	1	51	-1.0	-46.20	400.24	4.41	-41.79
C[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCN1S(C)(=O)=O	REAL300020295336	0	48	-1.0	-47.89	369.96	3.69	-44.20
C[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1S(C)(=O)=O	REAL300020295336	1	48	-1.0	-47.85	369.99	3.71	-44.14
ClC1=CN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)N=C1	REAL300020295337	0	47	-1.0	-44.65	384.63	8.37	-36.28
ClC1=CN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)N=C1	REAL300020295337	1	47	-1.0	-44.60	384.58	8.36	-36.24
C(CC1=NN=C(N2CCC(C3CCOC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295338	0	54	-1.0	-42.14	410.46	8.28	-33.86
C(CC1=NN=C(N2CCC(C3CCOC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295338	1	54	-1.0	-42.16	410.52	8.29	-33.87
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCOC3)CC2)N1CC1CC1	REAL300020295339	0	51	-1.0	-45.34	389.68	7.85	-37.49
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCOC3)CC2)N1CC1CC1	REAL300020295339	1	51	-1.0	-45.31	389.72	7.87	-37.44
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295340	0	55	-1.0	-45.09	418.06	8.88	-36.21
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295340	1	55	-1.0	-45.11	418.11	8.91	-36.20
CN1CC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCN2C1=O	REAL300020295341	0	50	-1.0	-47.08	402.68	6.74	-40.34
CN1CC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCN2C1=O	REAL300020295341	1	50	-1.0	-47.08	402.74	6.76	-40.32
CN1CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCN2C1=O	REAL300020295342	0	47	-1.0	-50.87	381.51	6.09	-44.78
CN1CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCN2C1=O	REAL300020295342	1	47	-1.0	-50.86	381.57	6.12	-44.74
C(CC1=NN=C(N2CCCC3(CCOCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295343	0	54	-1.0	-41.32	407.51	8.48	-32.84
C(CC1=NN=C(N2CCCC3(CCOCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295343	1	54	-1.0	-41.26	407.56	8.49	-32.77
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCOCC3)C2)N1CC1CC1	REAL300020295344	0	51	-1.0	-44.01	375.63	7.03	-36.98
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCOCC3)C2)N1CC1CC1	REAL300020295344	1	51	-1.0	-44.00	375.69	7.06	-36.94
CC(C)(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295345	0	53	-1.0	-39.80	409.98	7.75	-32.05
CC(C)(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295345	1	53	-1.0	-39.81	410.04	7.76	-32.05
CC(C)(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295346	0	50	-1.0	-41.79	377.02	6.57	-35.22
CC(C)(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295346	1	50	-1.0	-41.83	377.08	6.59	-35.24
CC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C(C)=C1	REAL300020295347	0	56	-1.0	-41.36	443.29	11.43	-29.93
CC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C(C)=C1	REAL300020295347	1	56	-1.0	-41.34	443.34	11.44	-29.90
CC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C(C)=C1	REAL300020295348	0	53	-1.0	-47.83	413.65	10.90	-36.93
CC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C(C)=C1	REAL300020295348	1	53	-1.0	-47.85	413.71	10.92	-36.93
CC(C)(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295349	0	55	-1.0	-40.48	414.31	9.84	-30.64
CC(C)(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295349	1	55	-1.0	-40.44	414.37	9.85	-30.59
CC(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295350	0	52	-1.0	-45.55	393.21	9.08	-36.47
CC(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295350	1	52	-1.0	-45.57	393.27	9.09	-36.48
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H](CN3CCOCC3)C2)N1CC1CC1	REAL300020295351	0	56	-1.0	-42.70	431.59	6.29	-36.41
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H](C[NH+]3CCOCC3)C2)N1CC1CC1	REAL300020295351	1	57	0.0	-69.25	432.90	8.54	-60.71
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H](CN3CCOCC3)C2)N1CC1CC1	REAL300020295351	1	56	-1.0	-42.73	431.65	6.31	-36.42
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	REAL300020295352	0	58	-1.0	-40.81	437.47	9.63	-31.18
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	REAL300020295352	1	58	-1.0	-40.78	437.53	9.65	-31.13
C1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295353	0	50	-1.0	-40.76	404.87	10.51	-30.25
C1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295353	1	50	-1.0	-40.75	404.93	10.52	-30.23
C1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295354	0	47	-1.0	-42.62	379.42	9.74	-32.88
C1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295354	1	47	-1.0	-42.64	379.48	9.77	-32.87
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295355	0	44	-1.0	-49.11	356.29	3.53	-45.58
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295355	1	44	-1.0	-49.12	356.34	3.54	-45.58
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295356	0	41	-1.0	-53.45	334.93	2.76	-50.69
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295356	1	41	-1.0	-53.44	334.87	2.74	-50.70
NC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295357	0	48	-1.0	-50.53	387.28	5.66	-44.87
NC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295357	1	48	-1.0	-50.54	387.31	5.64	-44.90
COC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295358	0	53	-1.0	-43.98	422.97	7.45	-36.53
COC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295358	1	53	-1.0	-43.91	423.03	7.48	-36.43
C1=CC(C2=NN=C(N3CCCC3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020295359	0	44	-1.0	-42.52	344.39	8.70	-33.82
C1=CC(C2=NN=C(N3CCCC3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020295359	1	44	-1.0	-42.53	344.42	8.69	-33.84
CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295360	0	46	-1.0	-40.16	363.13	8.41	-31.75
CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295360	1	46	-1.0	-40.14	363.18	8.42	-31.72
CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295361	0	43	-1.0	-41.86	344.30	7.75	-34.11
CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295361	1	43	-1.0	-41.88	344.24	7.73	-34.15
CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295362	0	50	-1.0	-41.96	387.21	10.35	-31.61
CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295362	1	50	-1.0	-41.94	387.26	10.36	-31.58
C(CC1=NN=C(N2CCOCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295363	0	41	-1.0	-40.84	333.98	5.50	-35.34
C(CC1=NN=C(N2CCOCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295363	1	41	-1.0	-40.84	334.03	5.51	-35.33
C1=CC(C2=NN=C(N3CCOCC3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020295364	0	45	-1.0	-41.95	363.71	7.14	-34.81
C1=CC(C2=NN=C(N3CCOCC3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020295364	1	45	-1.0	-41.98	363.77	7.13	-34.85
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295365	0	47	-1.0	-46.59	378.18	6.76	-39.83
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295365	1	47	-1.0	-46.58	378.24	6.78	-39.80
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295366	0	44	-1.0	-45.58	361.57	5.81	-39.77
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295366	1	44	-1.0	-45.60	361.62	5.83	-39.77
CC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020295367	0	51	-1.0	-46.65	401.06	8.51	-38.14
CC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295367	1	51	-1.0	-46.63	401.11	8.50	-38.13
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CC1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295372	1	49	-1.0	-39.47	386.40	8.81	-30.66
CC1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295373	0	46	-1.0	-41.89	367.75	8.11	-33.78
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CC1CC(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295374	0	53	-1.0	-41.60	412.65	10.90	-30.70
CC1CC(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295374	1	53	-1.0	-41.60	412.61	10.89	-30.71
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295375	0	52	-1.0	-42.88	414.11	9.34	-33.54
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295375	1	52	-1.0	-42.92	414.17	9.36	-33.56
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295376	0	49	-1.0	-45.98	392.55	8.56	-37.42
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295376	1	49	-1.0	-45.99	392.60	8.58	-37.41
CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295377	0	45	-1.0	-40.58	356.56	8.03	-32.55
CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295377	1	45	-1.0	-40.58	356.62	8.04	-32.54
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295378	0	49	-1.0	-42.25	380.61	9.82	-32.43
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295378	1	49	-1.0	-42.22	380.66	9.81	-32.41
CCOC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295379	0	51	-1.0	-43.83	412.55	7.51	-36.32
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CCOC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295387	1	49	-1.0	-51.46	401.60	8.46	-43.00
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CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295391	0	43	-1.0	-43.31	328.94	7.80	-35.51
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295391	1	43	-1.0	-43.31	328.90	7.79	-35.52
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020295392	0	50	-1.0	-42.17	382.58	10.19	-31.98
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295392	1	50	-1.0	-42.19	382.61	10.18	-32.01
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C1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)N=C1	REAL300020295393	1	51	-1.0	-41.81	412.16	8.01	-33.80
C1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)N=C1	REAL300020295394	0	48	-1.0	-43.77	387.25	7.43	-36.34
C1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)N=C1	REAL300020295394	1	48	-1.0	-43.78	387.31	7.45	-36.33
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1C	REAL300020295395	0	55	-1.0	-41.63	435.40	9.77	-31.86
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1C	REAL300020295395	1	55	-1.0	-41.66	435.45	9.80	-31.86
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295396	0	47	-1.0	-45.04	391.97	6.94	-38.10
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295396	1	47	-1.0	-45.04	392.03	6.95	-38.09
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295397	0	44	-1.0	-48.19	371.58	5.97	-42.22
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295397	1	44	-1.0	-48.24	371.64	5.98	-42.26
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O=C(C1=COC=C1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295398	1	51	-1.0	-47.24	413.48	7.55	-39.69
O=C(C1=COC=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295399	0	48	-1.0	-47.35	393.73	6.74	-40.61
O=C(C1=COC=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295399	1	48	-1.0	-47.30	393.79	6.76	-40.54
C(CC1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295400	0	56	0.0	-62.95	419.92	10.07	-52.88
C(CC1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295400	1	56	0.0	-62.92	419.97	10.08	-52.84
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1CC1CC1	REAL300020295401	0	53	0.0	-59.58	400.54	9.27	-50.31
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1CC1CC1	REAL300020295401	1	53	0.0	-59.61	400.60	9.30	-50.31
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295402	0	52	-1.0	-41.90	418.59	11.67	-30.23
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295402	1	52	-1.0	-41.98	418.64	11.69	-30.29
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295403	0	49	-1.0	-42.26	403.06	11.02	-31.24
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295403	1	49	-1.0	-42.28	403.01	11.00	-31.28
CC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295404	0	56	0.0	-67.60	429.16	11.41	-56.19
CC1=CC=CC=C1CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295404	1	55	-1.0	-42.95	438.86	8.82	-34.13
CC1=CC=CC=C1CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295404	1	55	-1.0	-42.96	438.91	8.85	-34.11
CN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295405	0	43	-1.0	-38.25	390.38	9.12	-29.13
CN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295405	1	43	-1.0	-38.29	390.44	9.14	-29.15
CN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295406	0	40	-1.0	-40.01	369.74	8.36	-31.65
CN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295406	1	40	-1.0	-40.00	369.80	8.39	-31.61
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COC1=CC=C(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295407	1	54	-1.0	-42.06	442.97	8.36	-33.70
COC1=CC=C(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020295408	0	51	-1.0	-44.15	416.85	7.74	-36.41
COC1=CC=C(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295408	1	51	-1.0	-44.13	416.90	7.76	-36.37
C1=CC=C(COCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295409	0	54	-1.0	-45.97	439.15	9.94	-36.03
C1=CC=C(COCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295409	1	54	-1.0	-45.97	439.21	9.96	-36.01
CN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295410	0	46	-1.0	-41.68	385.19	9.36	-32.32
CN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295410	1	46	-1.0	-41.71	385.25	9.38	-32.33
CN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295411	0	43	-1.0	-45.30	372.95	8.48	-36.82
CN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295411	1	43	-1.0	-45.25	373.01	8.50	-36.75
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295412	0	56	0.0	-71.47	429.90	11.02	-60.45
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295412	1	56	0.0	-71.95	437.65	11.01	-60.94
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295412	1	56	0.0	-71.53	429.96	11.04	-60.49
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295412	1	56	0.0	-71.97	437.71	11.04	-60.93
CS(=O)(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295413	0	49	-1.0	-54.95	399.08	5.11	-49.84
CS(=O)(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295413	1	49	-1.0	-54.91	399.14	5.12	-49.79
CS(=O)(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295414	0	46	-1.0	-56.32	380.88	4.45	-51.87
CS(=O)(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295414	1	46	-1.0	-56.31	380.93	4.46	-51.85
CCC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020295415	0	55	-1.0	-42.00	437.42	9.29	-32.71
CCC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020295415	1	55	-1.0	-42.01	437.48	9.31	-32.70
FC1=CC=CN=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295416	0	51	-1.0	-42.87	415.15	8.30	-34.57
FC1=CC=CN=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295416	1	51	-1.0	-42.85	415.10	8.29	-34.56
FC1=CC=CN=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295417	0	48	-1.0	-44.67	396.46	7.34	-37.33
FC1=CC=CN=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295417	1	48	-1.0	-44.66	396.40	7.31	-37.35
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295418	0	50	-1.0	-42.40	404.90	8.99	-33.41
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295418	1	50	-1.0	-42.44	404.95	9.00	-33.44
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295419	0	47	-1.0	-44.74	385.65	8.28	-36.46
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295419	1	47	-1.0	-44.76	385.59	8.26	-36.50
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295420	0	49	-1.0	-40.76	412.34	9.99	-30.77
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295420	1	49	-1.0	-40.84	412.40	10.01	-30.83
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295421	0	46	-1.0	-42.62	390.43	9.17	-33.45
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295421	1	46	-1.0	-42.64	390.37	9.15	-33.49
C1=CSC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295422	0	49	-1.0	-39.66	406.18	7.72	-31.94
C1=CSC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295422	1	49	-1.0	-39.68	406.23	7.73	-31.95
C1=CSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295423	0	46	-1.0	-41.23	387.60	7.04	-34.19
C1=CSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295423	1	46	-1.0	-41.26	387.66	7.06	-34.20
COCCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295424	0	57	-1.0	-43.79	458.42	6.11	-37.68
COCCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295424	1	57	-1.0	-43.83	458.48	6.13	-37.70
COCCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295425	0	54	-1.0	-46.66	442.10	5.46	-41.20
COCCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295425	1	54	-1.0	-46.67	442.15	5.48	-41.19
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295426	0	58	0.0	-66.33	440.28	10.34	-55.99
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295426	1	58	0.0	-66.34	440.34	10.35	-55.99
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295427	0	55	0.0	-63.59	404.73	9.09	-54.50
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295427	1	55	0.0	-63.57	404.79	9.12	-54.45
CC1=NC=CN=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295428	0	53	-1.0	-42.28	427.20	7.45	-34.83
CC1=NC=CN=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295428	1	53	-1.0	-42.31	427.26	7.46	-34.85
CC1=NC=CN=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295429	0	50	-1.0	-43.10	410.50	6.38	-36.72
CC1=NC=CN=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295429	1	50	-1.0	-43.09	410.56	6.40	-36.69
C1=CC=C(NC2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295430	0	55	-1.0	-39.71	440.22	9.55	-30.16
C1=CC=C(NC2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295430	1	55	-1.0	-39.68	440.28	9.57	-30.11
C1=CC=C(NC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295431	0	52	-1.0	-43.59	412.36	8.89	-34.70
C1=CC=C(NC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295431	1	52	-1.0	-43.62	412.40	8.91	-34.71
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295432	0	46	-1.0	-38.57	395.81	9.47	-29.10
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295432	1	46	-1.0	-38.57	395.86	9.49	-29.08
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295433	0	43	-1.0	-39.68	369.96	8.84	-30.84
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295433	1	43	-1.0	-39.72	370.02	8.87	-30.85
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295434	0	52	-1.0	-39.38	408.26	9.72	-29.66
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295434	1	52	-1.0	-39.35	408.32	9.74	-29.61
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295435	0	49	-1.0	-44.09	364.98	8.60	-35.49
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295435	1	49	-1.0	-44.05	365.03	8.62	-35.43
CCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295436	0	56	-1.0	-42.61	418.22	10.97	-31.64
CCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295436	1	56	-1.0	-42.55	418.25	10.97	-31.58
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295437	0	56	-1.0	-42.20	450.49	10.33	-31.87
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295437	1	56	-1.0	-42.19	450.54	10.34	-31.85
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295438	0	53	-1.0	-42.78	434.66	9.66	-33.12
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295438	1	53	-1.0	-42.80	434.72	9.68	-33.12
C(CC1=NN=C(N2CCC(OCC3CC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295439	0	54	-1.0	-38.93	433.73	9.28	-29.65
C(CC1=NN=C(N2CCC(OCC3CC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295439	1	54	-1.0	-38.93	433.79	9.29	-29.64
C(OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1)C1CC1	REAL300020295440	0	51	-1.0	-40.89	412.23	8.49	-32.40
C(OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1)C1CC1	REAL300020295440	1	51	-1.0	-40.90	412.29	8.52	-32.38
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295441	0	46	-1.0	-39.94	392.76	7.84	-32.10
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295441	1	46	-1.0	-39.95	392.81	7.85	-32.10
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295442	0	43	-1.0	-40.99	374.61	7.18	-33.81
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295442	1	43	-1.0	-40.95	374.67	7.20	-33.75
C(CC1=NN=C(N2CCSC3(CCCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295443	0	54	-1.0	-39.51	417.00	10.80	-28.71
C(CC1=NN=C(N2CCSC3(CCCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295443	1	54	-1.0	-39.55	417.06	10.81	-28.74
C(C1=N[N-]N=N1)C1=NN=C(N2CCSC3(CCCCC3)C2)N1CC1CC1	REAL300020295444	0	51	-1.0	-40.50	398.69	10.11	-30.39
C(C1=NN=N[N-]1)C1=NN=C(N2CCSC3(CCCCC3)C2)N1CC1CC1	REAL300020295444	1	51	-1.0	-40.53	398.75	10.13	-30.40
C(CC1=NN=C(N2CC[NH+](C3CC4CCC3C4)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295445	0	60	0.0	-64.31	446.59	11.06	-53.25
C(CC1=NN=C(N2CC[NH+](C3CC4CCC3C4)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295445	1	60	0.0	-64.28	446.53	11.04	-53.24
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CC4CCC3C4)CC2)N1CC1CC1	REAL300020295446	0	57	0.0	-61.54	420.03	10.44	-51.10
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CC4CCC3C4)CC2)N1CC1CC1	REAL300020295446	1	57	0.0	-61.60	420.07	10.47	-51.13
CN(CC1=CC=C(S(C)=O)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295447	0	48	-1.0	-51.97	409.15	7.34	-44.63
CN(CC1=CC=C(S(C)=O)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295447	1	48	-1.0	-51.98	409.21	7.37	-44.61
CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295448	0	53	-1.0	-46.15	416.85	6.78	-39.37
CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295448	1	53	-1.0	-46.21	416.90	6.80	-39.41
CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295449	0	50	-1.0	-49.77	395.29	6.00	-43.77
CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295449	1	50	-1.0	-49.77	395.34	6.02	-43.75
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295450	0	50	-1.0	-46.64	407.49	6.06	-40.58
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295450	1	50	-1.0	-46.66	407.55	6.07	-40.59
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295451	0	47	-1.0	-48.97	379.59	5.40	-43.57
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295451	1	47	-1.0	-48.97	379.63	5.41	-43.56
CC(C)(C)OC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295452	0	54	-1.0	-44.55	424.62	6.03	-38.52
CC(C)(C)OC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295452	1	54	-1.0	-44.51	424.68	6.05	-38.46
CN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295453	0	43	-1.0	-38.92	373.34	8.51	-30.41
CN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295453	1	43	-1.0	-38.92	373.40	8.52	-30.40
CN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295454	0	40	-1.0	-43.47	340.12	8.06	-35.41
CN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295454	1	40	-1.0	-43.49	340.09	8.04	-35.45
CN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295455	0	47	-1.0	-41.07	393.52	10.53	-30.54
CN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295455	1	47	-1.0	-41.08	393.57	10.52	-30.56
CN(CC1=CC=C(Cl)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295456	0	43	-1.0	-45.55	381.97	9.86	-35.69
CN(CC1=CC=C(Cl)C=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295456	1	43	-1.0	-45.59	382.01	9.87	-35.72
CC(C)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295457	0	53	-1.0	-44.36	422.08	7.90	-36.46
CC(C)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295457	1	53	-1.0	-44.36	422.13	7.91	-36.45
CC(C)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295458	0	50	-1.0	-45.06	401.29	7.13	-37.93
CC(C)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295458	1	50	-1.0	-45.06	401.35	7.15	-37.91
C1=CC=C2C(=C1)COC21CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295459	0	52	-1.0	-44.74	411.30	9.07	-35.67
C1=CC=C2C(=C1)COC21CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295459	1	52	-1.0	-44.75	411.36	9.08	-35.67
C1=CC=C2C(=C1)COC21CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295460	0	49	-1.0	-47.70	393.68	8.42	-39.28
C1=CC=C2C(=C1)COC21CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295460	1	49	-1.0	-47.67	393.74	8.45	-39.22
O=C1CCCN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295461	0	54	-1.0	-44.32	427.42	8.58	-35.74
O=C1CCCN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295461	1	54	-1.0	-44.35	427.48	8.59	-35.76
O=C1CCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295462	0	51	-1.0	-47.01	405.92	7.79	-39.22
O=C1CCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295462	1	51	-1.0	-47.00	405.98	7.82	-39.18
COC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295463	0	47	-1.0	-40.88	380.17	6.72	-34.16
COC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295463	1	47	-1.0	-40.84	380.23	6.74	-34.10
COC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295464	0	44	-1.0	-45.29	352.30	6.05	-39.24
COC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295464	1	44	-1.0	-45.28	352.33	6.08	-39.20
COC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295465	0	51	-1.0	-43.31	401.74	8.75	-34.56
COC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295465	1	51	-1.0	-43.30	401.77	8.74	-34.56
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295466	0	50	-1.0	-40.48	401.45	7.43	-33.05
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295466	1	50	-1.0	-40.47	401.51	7.44	-33.03
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295467	0	47	-1.0	-44.06	371.33	6.98	-37.08
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295467	1	47	-1.0	-44.06	371.35	6.99	-37.07
COCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020295468	0	54	-1.0	-42.35	426.76	9.49	-32.86
COCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295468	1	54	-1.0	-42.34	426.62	9.47	-32.87
O=S1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295469	0	42	-1.0	-46.12	354.44	5.02	-41.10
O=S1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295469	1	42	-1.0	-46.07	354.50	5.03	-41.04
O=S1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295470	0	39	-1.0	-51.07	324.80	4.21	-46.86
O=S1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295470	1	39	-1.0	-51.13	324.85	4.23	-46.90
O=S1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020295471	0	46	-1.0	-48.93	376.61	6.92	-42.01
O=S1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295471	1	46	-1.0	-48.92	376.66	6.91	-42.01
C(CC1=NN=C(N2CCCC([NH+]3CCCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295472	0	59	0.0	-61.78	440.38	10.72	-51.06
C(CC1=NN=C(N2CCCC([NH+]3CCCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295472	1	59	0.0	-61.78	440.43	10.74	-51.04
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC([NH+]3CCCCC3)C2)N1CC1CC1	REAL300020295473	0	56	0.0	-60.46	402.99	10.03	-50.43
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC([NH+]3CCCCC3)C2)N1CC1CC1	REAL300020295473	1	56	0.0	-60.45	403.05	10.04	-50.41
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295474	0	44	-1.0	-39.69	358.16	8.40	-31.29
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295474	1	44	-1.0	-39.66	358.22	8.41	-31.25
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295475	0	41	-1.0	-41.38	338.74	7.45	-33.93
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295475	1	41	-1.0	-41.38	338.68	7.42	-33.96
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020295476	0	48	-1.0	-41.60	379.81	10.22	-31.38
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295476	1	48	-1.0	-41.56	379.86	10.21	-31.35
CN(CC1CCCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295477	0	50	-1.0	-39.89	393.90	7.43	-32.46
CN(CC1CCCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295477	1	50	-1.0	-39.87	393.96	7.45	-32.42
CN(CC1CCCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295478	0	47	-1.0	-43.58	372.82	6.76	-36.82
CN(CC1CCCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295478	1	47	-1.0	-43.53	372.88	6.79	-36.74
CN(CC1CCCOC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295479	0	54	-1.0	-42.57	411.58	9.45	-33.12
CN(CC1CCCOC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295479	1	54	-1.0	-42.55	411.61	9.44	-33.11
CC1(C2=CC=CC=C2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295480	0	56	-1.0	-40.00	431.61	11.48	-28.52
CC1(C2=CC=CC=C2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295480	1	56	-1.0	-40.03	431.66	11.50	-28.53
CC1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295481	0	53	-1.0	-43.97	402.70	10.56	-33.41
CC1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295481	1	53	-1.0	-43.95	402.76	10.59	-33.36
C1=CC=C(CC2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295482	0	56	-1.0	-40.97	432.10	11.82	-29.15
C1=CC=C(CC2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295482	1	56	-1.0	-41.02	432.16	11.84	-29.18
C1=CC=C(CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295483	0	53	-1.0	-42.03	419.83	11.30	-30.73
C1=CC=C(CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295483	1	53	-1.0	-42.08	419.89	11.33	-30.75
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295484	0	42	-1.0	-44.94	356.80	5.91	-39.03
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295484	1	42	-1.0	-44.96	356.86	5.92	-39.04
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295485	0	39	-1.0	-45.87	327.66	5.00	-40.87
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295485	1	39	-1.0	-45.87	327.74	5.03	-40.84
N#CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020295486	0	46	-1.0	-47.09	373.31	7.59	-39.50
N#CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020295486	1	46	-1.0	-47.02	373.34	7.56	-39.46
CN(C)C(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295487	0	55	-1.0	-47.50	431.95	5.84	-41.66
CN(C)C(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295487	1	55	-1.0	-47.52	432.00	5.86	-41.66
CN(C)C(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295488	0	52	-1.0	-49.54	415.75	4.88	-44.66
CN(C)C(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295488	1	52	-1.0	-49.59	415.81	4.90	-44.69
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295489	0	46	-1.0	-42.42	386.37	7.13	-35.29
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295489	1	46	-1.0	-42.36	386.31	7.12	-35.24
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295490	0	43	-1.0	-43.90	360.60	6.51	-37.39
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295490	1	43	-1.0	-43.86	360.54	6.49	-37.37
CN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295491	0	50	-1.0	-44.10	411.07	8.98	-35.12
CN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295491	1	50	-1.0	-44.12	411.03	8.99	-35.13
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C1=CSC(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295492	1	53	0.0	-67.47	434.09	10.29	-57.18
C1=CSC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295493	0	49	-1.0	-42.89	410.04	7.24	-35.65
C1=CSC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295493	1	49	-1.0	-42.89	410.10	7.26	-35.63
C1=CSC(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295493	1	50	0.0	-65.21	412.59	9.52	-55.69
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295494	0	49	-1.0	-43.45	398.61	8.08	-35.37
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295494	1	49	-1.0	-43.48	398.67	8.09	-35.39
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295495	0	46	-1.0	-44.18	386.49	7.21	-36.97
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295495	1	46	-1.0	-44.21	386.37	7.24	-36.97
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COC1=CC(C)=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1OC	REAL300020295496	1	54	-1.0	-44.02	434.79	8.51	-35.51
CC1=CC(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=NO1	REAL300020295497	0	54	-1.0	-45.14	433.89	7.21	-37.93
CC1=CC(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=NO1	REAL300020295497	1	54	-1.0	-45.14	433.95	7.23	-37.91
CC1=CC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=NO1	REAL300020295498	0	51	-1.0	-46.65	416.30	6.04	-40.61
CC1=CC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=NO1	REAL300020295498	1	51	-1.0	-46.66	416.36	6.05	-40.61
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295499	0	48	-1.0	-42.05	405.56	9.13	-32.92
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295499	1	48	-1.0	-42.01	405.61	9.14	-32.87
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295500	0	45	-1.0	-49.19	380.97	8.33	-40.86
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295500	1	45	-1.0	-49.19	381.02	8.37	-40.82
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295501	0	53	-1.0	-41.22	434.30	9.44	-31.78
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295501	1	53	-1.0	-41.24	434.35	9.45	-31.79
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295502	0	50	-1.0	-43.75	406.51	8.82	-34.93
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295502	1	50	-1.0	-43.71	406.45	8.79	-34.92
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295503	0	48	-1.0	-40.70	389.86	7.65	-33.05
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295503	1	48	-1.0	-40.72	389.91	7.66	-33.06
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295504	0	45	-1.0	-41.60	368.34	6.86	-34.74
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295504	1	45	-1.0	-41.59	368.40	6.89	-34.70
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295505	0	52	-1.0	-42.71	414.50	9.47	-33.24
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295505	1	52	-1.0	-42.66	414.54	9.46	-33.20
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295506	0	46	-1.0	-40.76	357.13	7.87	-32.89
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295506	1	46	-1.0	-40.79	357.18	7.89	-32.90
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295507	0	43	-1.0	-43.77	339.48	7.24	-36.53
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295507	1	43	-1.0	-43.78	339.43	7.22	-36.56
CC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295508	0	50	-1.0	-42.41	384.32	9.79	-32.62
CC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295508	1	50	-1.0	-42.41	384.35	9.78	-32.63
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295509	0	52	-1.0	-39.50	403.64	9.44	-30.06
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295509	1	52	-1.0	-39.47	403.70	9.45	-30.02
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295510	0	49	-1.0	-43.60	375.74	8.78	-34.82
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295510	1	49	-1.0	-43.57	375.80	8.80	-34.77
CC(C)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295511	0	56	-1.0	-41.92	422.46	11.47	-30.45
CC(C)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295511	1	56	-1.0	-41.87	422.50	11.47	-30.40
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295512	0	50	-1.0	-42.07	395.05	7.28	-34.79
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295512	1	50	-1.0	-42.04	395.11	7.29	-34.75
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295513	0	47	-1.0	-43.47	375.04	6.70	-36.77
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295513	1	47	-1.0	-43.47	375.10	6.72	-36.75
COCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295514	0	54	-1.0	-43.70	425.66	9.43	-34.27
COCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295514	1	54	-1.0	-43.71	425.70	9.42	-34.29
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295515	0	50	-1.0	-41.00	382.34	9.43	-31.57
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295515	1	50	-1.0	-41.04	382.40	9.44	-31.60
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCC3)C2)N1CC1CC1	REAL300020295516	0	47	-1.0	-43.80	352.94	8.83	-34.97
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCC3)C2)N1CC1CC1	REAL300020295516	1	47	-1.0	-43.80	353.00	8.85	-34.95
C1=CC(C2=NN=C(N3CCCC4(CCC4)C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020295517	0	54	-1.0	-42.55	406.69	11.25	-31.30
C1=CC(C2=NN=C(N3CCCC4(CCC4)C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020295517	1	54	-1.0	-42.56	406.73	11.24	-31.32
C[C@@H]1CN(CCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H](C)O1	REAL300020295518	0	58	-1.0	-41.84	445.94	6.44	-35.40
C[C@@H]1CN(CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020295518	1	58	-1.0	-41.89	446.00	6.46	-35.43
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020295518	1	59	0.0	-66.68	449.19	8.60	-58.08
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020295518	1	59	0.0	-65.73	452.19	8.85	-56.88
C[C@@H]1CN(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H](C)O1	REAL300020295519	0	55	-1.0	-42.56	428.46	5.77	-36.79
C[C@@H]1CN(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020295519	1	55	-1.0	-42.56	428.52	5.79	-36.77
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020295519	1	56	0.0	-64.49	409.49	8.07	-56.42
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020295519	1	56	0.0	-64.74	424.21	8.21	-56.53
CC1=CC=CC=C1C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295520	0	54	-1.0	-42.14	430.18	9.92	-32.22
CC1=CC=CC=C1C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295520	1	54	-1.0	-42.11	430.24	9.93	-32.18
CC1=CC=CC=C1C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295521	0	51	-1.0	-43.25	413.19	8.92	-34.33
CC1=CC=CC=C1C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295521	1	51	-1.0	-43.25	413.24	8.96	-34.29
OC1C2CCCC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020295522	0	51	-1.0	-42.39	383.90	7.91	-34.48
OC1C2CCCC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020295522	1	51	-1.0	-42.41	383.95	7.92	-34.49
OC1C2CCCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020295523	0	48	-1.0	-41.07	364.48	7.30	-33.77
OC1C2CCCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020295523	1	48	-1.0	-41.05	364.53	7.33	-33.72
CO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295524	0	44	-1.0	-41.53	355.38	6.10	-35.43
CO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295524	1	44	-1.0	-41.55	355.43	6.11	-35.44
CO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295525	0	41	-1.0	-41.88	333.68	5.35	-36.53
CO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295525	1	41	-1.0	-41.89	333.62	5.32	-36.57
CO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295526	0	48	-1.0	-42.93	377.32	7.71	-35.22
CO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295526	1	48	-1.0	-42.95	377.35	7.70	-35.25
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020295527	0	49	-1.0	-40.53	372.03	8.70	-31.83
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295527	1	49	-1.0	-40.56	372.09	8.71	-31.85
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020295528	0	46	-1.0	-43.55	354.29	8.06	-35.49
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295528	1	46	-1.0	-43.59	354.36	8.08	-35.51
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1C	REAL300020295529	0	53	-1.0	-42.24	400.06	10.65	-31.59
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1C	REAL300020295529	1	53	-1.0	-42.17	400.10	10.64	-31.53
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295530	0	44	-1.0	-40.67	357.45	6.13	-34.54
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295530	1	44	-1.0	-40.70	357.51	6.14	-34.56
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295531	0	41	-1.0	-48.11	331.81	5.27	-42.84
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295531	1	41	-1.0	-48.11	331.75	5.25	-42.86
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295532	0	48	-1.0	-42.72	380.11	7.93	-34.79
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295532	1	48	-1.0	-42.59	380.16	7.92	-34.67
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295533	0	49	-1.0	-40.42	378.85	9.03	-31.39
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295533	1	49	-1.0	-40.42	378.90	9.05	-31.37
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295534	0	46	-1.0	-41.93	360.64	8.36	-33.57
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295534	1	46	-1.0	-41.90	360.69	8.38	-33.52
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295535	0	53	-1.0	-41.62	406.98	10.99	-30.63
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295535	1	53	-1.0	-41.54	407.07	10.97	-30.57
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(C)(C)C1	REAL300020295536	0	52	-1.0	-40.15	402.60	9.81	-30.34
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C)(C)C1	REAL300020295536	1	52	-1.0	-40.16	402.65	9.82	-30.34
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C)(C)C1	REAL300020295537	0	49	-1.0	-44.21	361.64	8.55	-35.66
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C)(C)C1	REAL300020295537	1	49	-1.0	-44.25	361.69	8.56	-35.69
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC(C)(C)C1	REAL300020295538	0	56	-1.0	-41.27	431.51	11.81	-29.46
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC(C)(C)C1	REAL300020295538	1	56	-1.0	-41.27	431.54	11.80	-29.47
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295539	0	52	-1.0	-40.61	412.37	10.15	-30.46
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295539	1	52	-1.0	-40.60	412.43	10.16	-30.44
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295540	0	49	-1.0	-42.89	382.95	9.55	-33.34
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295540	1	49	-1.0	-42.94	383.01	9.56	-33.38
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295541	0	56	-1.0	-42.32	436.42	11.95	-30.37
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295541	1	56	-1.0	-42.30	436.46	11.94	-30.36
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020295542	0	47	-1.0	-39.11	382.84	9.06	-30.05
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020295542	1	47	-1.0	-39.12	382.90	9.07	-30.05
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020295543	0	44	-1.0	-39.98	366.48	8.03	-31.95
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020295543	1	44	-1.0	-39.97	366.53	8.06	-31.91
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCS1	REAL300020295544	0	51	-1.0	-41.08	412.68	10.99	-30.09
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCS1	REAL300020295544	1	51	-1.0	-41.10	412.72	10.98	-30.12
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020295545	0	46	-1.0	-40.08	359.97	8.04	-32.04
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295545	1	46	-1.0	-40.08	360.03	8.06	-32.02
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295546	0	43	-1.0	-42.51	336.61	7.24	-35.27
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020295546	1	43	-1.0	-42.53	336.56	7.22	-35.31
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1C	REAL300020295547	0	50	-1.0	-42.09	383.06	9.84	-32.25
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1C	REAL300020295547	1	50	-1.0	-42.01	383.11	9.83	-32.18
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020295548	0	47	-1.0	-38.78	385.78	9.05	-29.73
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020295548	1	47	-1.0	-38.80	385.84	9.07	-29.73
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020295549	0	44	-1.0	-41.60	342.73	7.96	-33.64
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020295549	1	44	-1.0	-41.60	342.79	7.97	-33.63
CC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCS1	REAL300020295550	0	51	-1.0	-41.38	398.05	10.43	-30.95
CC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCS1	REAL300020295550	1	51	-1.0	-41.42	398.07	10.42	-31.00
C(CC1=NN=C(N2CCC3OCCCC3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295551	0	51	-1.0	-39.39	398.87	7.79	-31.60
C(CC1=NN=C(N2CCC3OCCCC3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295551	1	51	-1.0	-39.42	398.93	7.81	-31.61
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3OCCCC3C2)N1CC1CC1	REAL300020295552	0	48	-1.0	-42.66	361.12	7.29	-35.37
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3OCCCC3C2)N1CC1CC1	REAL300020295552	1	48	-1.0	-42.61	361.18	7.31	-35.30
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295553	0	50	-1.0	-40.68	393.88	7.74	-32.94
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295553	1	50	-1.0	-40.67	393.94	7.75	-32.92
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295554	0	47	-1.0	-41.95	375.68	7.05	-34.90
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295554	1	47	-1.0	-42.02	375.74	7.08	-34.94
CCCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020295555	0	54	-1.0	-42.05	421.92	9.69	-32.36
CCCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020295555	1	54	-1.0	-42.03	421.95	9.68	-32.35
CCCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295556	0	55	-1.0	-40.50	417.61	10.49	-30.01
CCCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295556	1	55	-1.0	-40.47	417.67	10.51	-29.96
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295557	0	52	-1.0	-43.96	376.66	9.23	-34.73
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295557	1	52	-1.0	-43.97	376.72	9.24	-34.73
CC(C)C(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295558	0	56	-1.0	-49.18	441.05	7.62	-41.56
CC(C)C(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295558	1	56	-1.0	-49.19	441.11	7.64	-41.55
CCCC(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295559	0	56	-1.0	-49.41	443.00	7.72	-41.69
CCCC(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295559	1	56	-1.0	-49.41	443.06	7.75	-41.66
CCCC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295560	0	56	-1.0	-42.28	449.52	7.63	-34.65
CCCC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295560	1	56	-1.0	-42.34	449.57	7.64	-34.70
CCCC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295561	0	53	-1.0	-45.73	426.70	6.83	-38.90
CCCC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295561	1	53	-1.0	-45.77	426.76	6.84	-38.93
CCCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295562	0	56	-1.0	-56.46	447.26	7.42	-49.04
CCCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295562	1	56	-1.0	-56.49	447.32	7.43	-49.06
O=C(NC1CC1)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295563	0	54	-1.0	-48.08	423.12	7.05	-41.03
O=C(NC1CC1)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295563	1	54	-1.0	-48.09	423.18	7.06	-41.03
O=C(NC1CC1)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295564	0	51	-1.0	-54.22	397.52	7.01	-47.21
O=C(NC1CC1)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295564	1	51	-1.0	-54.26	397.57	7.03	-47.23
CCCNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295565	0	56	-1.0	-49.09	448.59	7.45	-41.64
CCCNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295565	1	56	-1.0	-49.08	448.65	7.46	-41.62
CCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295566	0	53	-1.0	-56.71	425.76	6.65	-50.06
CCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295566	1	53	-1.0	-56.70	425.82	6.66	-50.04
CC(C)(C)C(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295567	0	56	-1.0	-45.35	443.64	7.31	-38.04
CC(C)(C)C(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295567	1	56	-1.0	-45.38	443.70	7.32	-38.06
CNC(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295568	0	46	-1.0	-50.66	373.18	4.77	-45.89
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CNC(=O)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295570	0	50	-1.0	-52.24	407.19	6.84	-45.40
CNC(=O)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295570	1	50	-1.0	-52.24	407.21	6.83	-45.41
CCCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295571	0	56	-1.0	-49.47	438.29	7.53	-41.94
CCCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295571	1	56	-1.0	-49.47	438.33	7.56	-41.91
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CN(CC1=CSC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295573	0	43	-1.0	-40.20	362.83	8.38	-31.82
CN(CC1=CSC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295573	1	43	-1.0	-40.22	362.89	8.39	-31.83
CN(CC1=CSC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295574	0	40	-1.0	-42.94	350.34	7.53	-35.41
CN(CC1=CSC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295574	1	40	-1.0	-42.90	350.28	7.51	-35.39
CN(CC1=CSC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295575	0	47	-1.0	-41.88	386.91	10.18	-31.70
CN(CC1=CSC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295575	1	47	-1.0	-41.85	386.94	10.18	-31.67
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CS(=O)(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295576	1	51	-1.0	-48.08	421.29	3.66	-44.42
CS(=O)(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295577	0	48	-1.0	-52.01	393.33	2.99	-49.02
CS(=O)(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295577	1	48	-1.0	-52.07	393.36	3.00	-49.07
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295578	0	45	-1.0	-55.25	396.97	6.41	-48.84
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295578	1	45	-1.0	-55.23	397.03	6.44	-48.79
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CC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295580	0	55	-1.0	-40.09	434.80	10.22	-29.87
CC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295580	1	55	-1.0	-40.09	434.85	10.23	-29.86
CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295581	0	52	-1.0	-41.65	418.95	9.20	-32.45
CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295581	1	52	-1.0	-41.61	419.00	9.23	-32.38
CS(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295582	0	48	-1.0	-50.28	399.61	4.38	-45.90
CS(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295582	1	48	-1.0	-50.30	399.66	4.40	-45.90
CS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295583	0	45	-1.0	-46.12	381.17	3.39	-42.73
CS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295583	1	45	-1.0	-46.10	381.23	3.42	-42.68
C1=CN=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=N1	REAL300020295584	0	50	-1.0	-42.83	405.83	6.36	-36.47
C1=CN=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C=N1	REAL300020295584	1	50	-1.0	-42.84	405.77	6.35	-36.49
C1=CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=N1	REAL300020295585	0	47	-1.0	-43.50	387.14	5.39	-38.11
C1=CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=N1	REAL300020295585	1	47	-1.0	-43.56	387.09	5.38	-38.18
C1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020295586	0	53	-1.0	-40.83	414.61	11.22	-29.61
C1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020295586	1	53	-1.0	-40.86	414.67	11.24	-29.62
C1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020295587	0	50	-1.0	-44.36	392.13	10.67	-33.69
C1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020295587	1	50	-1.0	-44.35	392.18	10.69	-33.66
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295588	0	52	-1.0	-42.53	416.65	11.69	-30.84
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295588	1	52	-1.0	-42.53	416.71	11.71	-30.82
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295589	0	49	-1.0	-47.09	393.40	11.06	-36.03
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295589	1	49	-1.0	-47.10	393.36	11.04	-36.06
C(CC1=NN=C(N2CCCCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295590	0	43	-1.0	-39.62	344.66	7.63	-31.99
C(CC1=NN=C(N2CCCCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295590	1	43	-1.0	-39.64	344.72	7.65	-31.99
C1=CC(C2=NN=C(N3CCCCC3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020295591	0	47	-1.0	-41.77	367.85	9.76	-32.01
C1=CC(C2=NN=C(N3CCCCC3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020295591	1	47	-1.0	-41.75	367.78	9.74	-32.01
FC1=CC=C(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCO2)C=C1	REAL300020295592	0	51	-1.0	-42.06	420.26	9.42	-32.64
FC1=CC=C(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCO2)C=C1	REAL300020295592	1	51	-1.0	-42.14	420.31	9.43	-32.71
FC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCO2)C=C1	REAL300020295593	0	48	-1.0	-43.37	398.24	8.61	-34.76
FC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCO2)C=C1	REAL300020295593	1	48	-1.0	-43.41	398.30	8.64	-34.77
NC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295594	0	50	-1.0	-47.29	402.06	5.12	-42.17
NC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295594	1	50	-1.0	-47.26	402.12	5.13	-42.13
NC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295595	0	47	-1.0	-52.03	362.56	4.58	-47.45
NC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295595	1	47	-1.0	-52.07	362.61	4.58	-47.49
C(CC1=NN=C(N2CC[NH+](CC3CCOC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295596	0	57	0.0	-72.65	434.55	8.51	-64.14
C(CC1=NN=C(N2CC[NH+](CC3CCOC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295596	1	57	0.0	-72.71	434.61	8.53	-64.18
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CCOC3)CC2)N1CC1CC1	REAL300020295597	0	54	0.0	-73.16	407.05	7.87	-65.29
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CCOC3)CC2)N1CC1CC1	REAL300020295597	1	54	0.0	-73.20	407.12	7.88	-65.32
CN(CCOCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295598	0	50	-1.0	-41.70	406.17	8.24	-33.46
CN(CCOCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295598	1	50	-1.0	-41.68	406.23	8.25	-33.43
CN(CCOCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295599	0	47	-1.0	-42.67	384.66	7.45	-35.22
CN(CCOCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295599	1	47	-1.0	-42.67	384.72	7.48	-35.19
CN(CCOCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295600	0	54	-1.0	-41.53	435.62	9.95	-31.58
CN(CCOCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295600	1	54	-1.0	-41.57	435.67	9.94	-31.63
COCCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295601	0	53	-1.0	-42.41	424.49	6.40	-36.01
COCCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295601	1	53	-1.0	-42.43	424.54	6.41	-36.02
COCCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295602	0	50	-1.0	-44.33	408.16	5.74	-38.59
COCCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295602	1	50	-1.0	-44.30	408.22	5.77	-38.53
C(OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1)C1CCOC1	REAL300020295603	0	55	-1.0	-42.44	436.30	7.30	-35.14
C(OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1)C1CCOC1	REAL300020295603	1	55	-1.0	-42.43	436.36	7.32	-35.11
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295604	0	53	-1.0	-42.00	418.71	11.25	-30.75
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295604	1	53	-1.0	-41.96	418.77	11.27	-30.69
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295605	0	50	-1.0	-42.84	397.21	10.47	-32.37
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295605	1	50	-1.0	-42.81	397.27	10.49	-32.32
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295606	0	46	-1.0	-41.49	395.16	9.99	-31.50
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295606	1	46	-1.0	-41.49	395.21	10.00	-31.49
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295607	0	43	-1.0	-43.29	382.51	9.14	-34.15
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295607	1	43	-1.0	-43.37	382.58	9.14	-34.23
C(CC1=NN=C(N2CCC3(CCOC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295608	0	48	-1.0	-40.45	377.05	6.63	-33.82
C(CC1=NN=C(N2CCC3(CCOC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295608	1	48	-1.0	-40.46	377.09	6.64	-33.82
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCOC3)C2)N1CC1CC1	REAL300020295609	0	45	-1.0	-44.91	358.27	5.93	-38.98
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCOC3)C2)N1CC1CC1	REAL300020295609	1	45	-1.0	-44.93	358.32	5.96	-38.97
C1=CC(C2=NN=C(N3CCC4(CCOC4)C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020295610	0	52	-1.0	-42.69	399.65	8.61	-34.08
C1=CC(C2=NN=C(N3CCC4(CCOC4)C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020295610	1	52	-1.0	-42.70	399.69	8.61	-34.09
CN(C[C@H]1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295611	0	47	-1.0	-40.19	379.17	6.69	-33.50
CN(C[C@H]1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295611	1	47	-1.0	-40.18	379.23	6.71	-33.47
CN(C[C@H]1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295612	0	44	-1.0	-44.88	358.09	5.92	-38.96
CN(C[C@H]1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295612	1	44	-1.0	-44.87	358.14	5.94	-38.93
CN(C[C@H]1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295613	0	51	-1.0	-43.97	394.48	8.59	-35.38
CN(C[C@H]1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295613	1	51	-1.0	-43.93	394.50	8.58	-35.35
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295614	0	50	-1.0	-40.44	393.00	7.59	-32.85
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295614	1	50	-1.0	-40.48	393.05	7.60	-32.88
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295615	0	47	-1.0	-41.85	373.13	6.81	-35.04
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295615	1	47	-1.0	-41.91	373.19	6.83	-35.08
CC(C)C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020295616	0	54	-1.0	-41.42	422.64	9.26	-32.16
CC(C)C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020295616	1	54	-1.0	-41.37	422.68	9.25	-32.12
CC(C)N1C(=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020295617	0	56	-1.0	-46.60	414.42	7.14	-39.46
CC(C)N1C(=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020295617	1	56	-1.0	-46.55	414.48	7.15	-39.40
CC(C)N1C(=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020295618	0	53	-1.0	-51.98	388.92	6.37	-45.61
CC(C)N1C(=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020295618	1	53	-1.0	-51.95	388.98	6.39	-45.56
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295619	0	48	-1.0	-41.52	385.24	5.39	-36.13
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295619	1	48	-1.0	-41.54	385.30	5.40	-36.14
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295620	0	45	-1.0	-42.48	367.05	4.71	-37.77
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295620	1	45	-1.0	-42.50	367.10	4.74	-37.76
COCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020295621	0	52	-1.0	-43.02	413.27	7.34	-35.68
COCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020295621	1	52	-1.0	-42.94	413.31	7.33	-35.61
CN1C=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=O)C=N1	REAL300020295622	0	51	-1.0	-51.99	414.19	6.48	-45.51
CN1C=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=O)C=N1	REAL300020295622	1	51	-1.0	-52.03	414.13	6.47	-45.56
CN1C=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=O)C=N1	REAL300020295623	0	48	-1.0	-50.27	379.55	5.93	-44.34
CN1C=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=O)C=N1	REAL300020295623	1	48	-1.0	-50.24	379.51	5.92	-44.32
C(CC1=NN=C(N2CCOC3(CCOC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295624	0	49	-1.0	-41.71	377.42	5.04	-36.67
C(CC1=NN=C(N2CCOC3(CCOC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295624	1	49	-1.0	-41.67	377.48	5.05	-36.62
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCOC3)C2)N1CC1CC1	REAL300020295625	0	46	-1.0	-43.85	367.11	4.90	-38.95
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCOC3)C2)N1CC1CC1	REAL300020295625	1	46	-1.0	-43.86	367.16	4.92	-38.94
COCCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295626	0	57	-1.0	-41.86	447.21	7.63	-34.23
COCCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295626	1	57	-1.0	-41.91	447.27	7.64	-34.27
COCCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295627	0	54	-1.0	-44.97	425.66	6.84	-38.13
COCCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295627	1	54	-1.0	-44.99	425.71	6.86	-38.13
FC(F)(F)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295628	0	44	-1.0	-42.13	375.49	6.61	-35.52
FC(F)(F)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295628	1	44	-1.0	-42.10	375.54	6.62	-35.48
FC(F)(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295629	0	41	-1.0	-46.19	354.39	5.85	-40.34
FC(F)(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295629	1	41	-1.0	-46.18	354.45	5.85	-40.33
CN(CC1=NC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295630	0	42	-1.0	-40.41	358.72	6.81	-33.60
CN(CC1=NC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295630	1	42	-1.0	-40.39	358.78	6.83	-33.56
CN(CC1=NC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295631	0	39	-1.0	-47.26	334.23	6.04	-41.22
CN(CC1=NC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295631	1	39	-1.0	-47.26	334.19	6.02	-41.24
CN(CC1=NC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295632	0	46	-1.0	-42.24	382.79	8.62	-33.62
CN(CC1=NC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295632	1	46	-1.0	-42.24	382.82	8.61	-33.63
CCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295633	0	50	-1.0	-39.65	404.05	7.72	-31.93
CCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295633	1	50	-1.0	-39.64	404.11	7.73	-31.91
CCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295634	0	47	-1.0	-42.28	381.50	6.88	-35.40
CCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295634	1	47	-1.0	-42.26	381.56	6.91	-35.35
CCOCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295635	0	54	-1.0	-43.21	414.94	8.83	-34.38
CCOCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295635	1	54	-1.0	-43.20	414.99	8.82	-34.38
CN(CC1CCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295636	0	47	-1.0	-40.40	374.58	6.33	-34.07
CN(CC1CCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295636	1	47	-1.0	-40.42	374.64	6.35	-34.07
CN(CC1CCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295637	0	44	-1.0	-44.24	353.44	5.69	-38.55
CN(CC1CCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295637	1	44	-1.0	-44.27	353.50	5.71	-38.56
CN(CC1CCOC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295638	0	51	-1.0	-43.39	393.62	8.40	-34.99
CN(CC1CCOC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295638	1	51	-1.0	-43.34	393.65	8.39	-34.95
O=[N+]([O-])C1=NN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020295639	0	49	-1.0	-51.20	398.03	9.55	-41.65
O=[N+]([O-])C1=NN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020295639	1	49	-1.0	-51.17	397.99	9.54	-41.63
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020295640	0	53	-1.0	-41.00	427.41	11.01	-29.99
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020295640	1	53	-1.0	-41.01	427.47	11.02	-29.99
CC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020295641	0	50	-1.0	-44.50	404.72	10.37	-34.13
CC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020295641	1	50	-1.0	-44.53	404.78	10.39	-34.14
FC1=CC=CC=C1CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295642	0	53	-1.0	-44.47	431.17	11.22	-33.25
FC1=CC=CC=C1CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295642	1	53	-1.0	-44.46	431.23	11.25	-33.21
CCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295643	0	53	-1.0	-42.02	424.80	6.75	-35.27
CCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295643	1	53	-1.0	-42.00	424.85	6.77	-35.23
CCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295644	0	50	-1.0	-45.17	408.47	6.10	-39.07
CCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295644	1	50	-1.0	-45.12	408.53	6.12	-39.00
C1=COC(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCO2)=C1	REAL300020295645	0	48	-1.0	-43.93	397.95	7.53	-36.40
C1=COC(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCO2)=C1	REAL300020295645	1	48	-1.0	-43.88	398.01	7.55	-36.33
C1=COC(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCO2)=C1	REAL300020295646	0	45	-1.0	-48.34	377.73	6.45	-41.89
C1=COC(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCO2)=C1	REAL300020295646	1	45	-1.0	-48.30	377.79	6.46	-41.84
CCC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCO2)C=C1	REAL300020295647	0	54	-1.0	-43.62	434.72	9.99	-33.63
CCC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCO2)C=C1	REAL300020295647	1	54	-1.0	-43.63	434.78	10.01	-33.62
CN(CCCOC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295648	0	53	-1.0	-42.19	424.93	9.85	-32.34
CN(CCCOC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295648	1	53	-1.0	-42.16	424.99	9.87	-32.29
CN(CCCOC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295649	0	50	-1.0	-42.78	409.11	9.18	-33.60
CN(CCCOC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295649	1	50	-1.0	-42.76	409.17	9.21	-33.55
COC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295650	0	54	-1.0	-45.35	438.10	9.14	-36.21
COC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295650	1	54	-1.0	-45.38	438.16	9.15	-36.23
COC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295651	0	51	-1.0	-46.40	416.59	8.35	-38.05
COC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295651	1	51	-1.0	-46.37	416.65	8.38	-37.99
CCN(CC)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295652	0	55	-1.0	-44.68	426.13	7.82	-36.86
CCN(CC)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295652	1	55	-1.0	-44.67	426.19	7.84	-36.83
C1=CC=C(COC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020295653	0	54	-1.0	-44.73	430.41	10.02	-34.71
C1=CC=C(COC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020295653	1	54	-1.0	-44.76	430.45	10.05	-34.71
N#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295654	0	44	-1.0	-43.70	357.71	8.06	-35.64
N#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295654	1	44	-1.0	-43.69	357.76	8.08	-35.61
N#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295655	0	41	-1.0	-46.11	336.16	7.28	-38.83
N#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295655	1	41	-1.0	-46.08	336.21	7.30	-38.78
N#CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020295656	0	48	-1.0	-45.83	381.90	9.87	-35.96
N#CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295656	1	48	-1.0	-45.83	381.93	9.86	-35.97
O=C1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCN12	REAL300020295657	0	48	-1.0	-44.76	375.61	7.03	-37.73
O=C1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCN12	REAL300020295657	1	48	-1.0	-44.79	375.67	7.04	-37.75
O=C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCN12	REAL300020295658	0	45	-1.0	-48.31	362.46	6.45	-41.86
O=C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCN12	REAL300020295658	1	45	-1.0	-48.34	362.52	6.48	-41.86
NC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295659	0	45	-1.0	-46.93	371.57	3.41	-43.52
NC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295659	1	45	-1.0	-46.97	371.63	3.43	-43.54
NC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295660	0	42	-1.0	-48.57	349.55	2.61	-45.96
NC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295660	1	42	-1.0	-48.51	349.61	2.63	-45.88
NC(=O)C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020295661	0	49	-1.0	-48.97	395.74	5.13	-43.84
NC(=O)C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020295661	1	49	-1.0	-48.93	395.20	5.12	-43.81
CC1=CC=C(CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295662	0	56	-1.0	-44.45	444.74	11.78	-32.67
CC1=CC=C(CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295662	1	56	-1.0	-44.45	444.80	11.79	-32.66
CN(CC1=CC=CC=C1N1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295663	0	55	-1.0	-46.37	411.23	9.96	-36.41
CN(CC1=CC=CC=C1N1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295663	1	55	-1.0	-46.37	411.22	9.99	-36.38
C1=CC(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=CS1	REAL300020295664	0	52	-1.0	-40.48	428.21	7.78	-32.70
C1=CC(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=CS1	REAL300020295664	1	52	-1.0	-40.43	428.27	7.79	-32.64
C1=CC(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=CS1	REAL300020295664	1	53	0.0	-68.77	433.17	10.08	-58.69
C1=CC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=CS1	REAL300020295665	0	49	-1.0	-42.83	409.63	7.11	-35.72
C1=CC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=CS1	REAL300020295665	1	49	-1.0	-42.83	409.69	7.13	-35.70
C1=CC(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=CS1	REAL300020295665	1	50	0.0	-66.91	412.14	9.37	-57.54
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295666	0	47	-1.0	-40.52	370.52	6.98	-33.54
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295666	1	47	-1.0	-40.53	370.58	6.99	-33.54
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295667	0	44	-1.0	-42.24	354.62	6.14	-36.10
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295667	1	44	-1.0	-42.26	354.68	6.16	-36.10
CC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020295668	0	51	-1.0	-41.97	386.60	8.24	-33.73
CC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020295668	1	51	-1.0	-42.00	386.61	8.22	-33.78
CCS(=O)(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295669	0	51	-1.0	-49.57	413.46	3.87	-45.70
CCS(=O)(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295669	1	51	-1.0	-49.61	413.50	3.89	-45.72
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295670	0	49	-1.0	-40.42	378.85	9.03	-31.39
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295670	1	49	-1.0	-40.42	378.90	9.05	-31.37
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295671	0	46	-1.0	-41.93	360.64	8.36	-33.57
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295671	1	46	-1.0	-41.90	360.69	8.38	-33.52
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295672	0	53	-1.0	-41.62	406.98	10.99	-30.63
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295672	1	53	-1.0	-41.54	407.07	10.97	-30.57
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295673	0	51	-1.0	-45.02	414.02	7.71	-37.31
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295673	1	51	-1.0	-44.97	414.07	7.72	-37.25
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295674	0	48	-1.0	-45.75	398.77	6.90	-38.85
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295674	1	48	-1.0	-45.69	398.83	6.93	-38.76
CN(CC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295675	0	39	-1.0	-42.79	336.85	6.54	-36.25
CN(CC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295675	1	39	-1.0	-42.74	336.91	6.55	-36.19
CN(CC(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295676	0	36	-1.0	-42.58	314.35	6.26	-36.32
CN(CC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295676	1	36	-1.0	-42.60	314.41	6.27	-36.33
CN(CC(F)(F)F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295677	0	43	-1.0	-45.04	361.04	8.37	-36.67
CN(CC(F)(F)F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295677	1	43	-1.0	-45.07	361.06	8.36	-36.71
CC(C)N(C)C(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295678	0	56	-1.0	-47.71	428.28	8.39	-39.32
CC(C)N(C)C(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295678	1	56	-1.0	-47.72	428.33	8.41	-39.31
CN(CCCCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295679	0	55	-1.0	-42.42	437.95	11.83	-30.59
CN(CCCCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295679	1	55	-1.0	-42.42	438.01	11.85	-30.57
CN(CCCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295680	0	52	-1.0	-43.18	422.13	11.16	-32.02
CN(CCCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295680	1	52	-1.0	-43.23	422.19	11.19	-32.04
CN(CC1=CC(Cl)=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295681	0	43	-1.0	-39.41	390.61	9.72	-29.69
CN(CC1=CC(Cl)=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295681	1	43	-1.0	-39.40	390.66	9.75	-29.65
CC(C#N)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295682	0	43	-1.0	-43.51	354.86	7.74	-35.77
CC(C#N)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295682	1	43	-1.0	-43.51	354.92	7.76	-35.75
CC(C#N)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295683	0	40	-1.0	-47.23	337.77	6.99	-40.24
CC(C#N)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295683	1	40	-1.0	-47.20	337.71	6.98	-40.22
CC(C#N)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295684	0	47	-1.0	-45.97	378.21	9.58	-36.39
CC(C#N)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295684	1	47	-1.0	-45.92	378.27	9.57	-36.35
C(CC1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295685	0	56	0.0	-61.22	423.64	10.05	-51.17
C(CC1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295685	1	56	0.0	-61.18	423.70	10.07	-51.11
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1CC1CC1	REAL300020295686	0	53	0.0	-60.35	403.87	9.28	-51.07
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1CC1CC1	REAL300020295686	1	53	0.0	-60.39	403.93	9.31	-51.08
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295687	0	49	-1.0	-40.96	402.48	10.49	-30.47
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295687	1	49	-1.0	-40.96	402.54	10.50	-30.46
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295688	0	46	-1.0	-45.27	387.56	10.35	-34.92
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295688	1	46	-1.0	-45.27	387.53	10.32	-34.95
O=C(CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1)N1CCCC1	REAL300020295689	0	57	-1.0	-53.37	437.08	9.36	-44.01
O=C(CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1)N1CCCC1	REAL300020295689	1	57	-1.0	-53.39	437.13	9.37	-44.02
NC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295690	0	50	-1.0	-43.12	399.15	4.99	-38.13
NC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295690	1	50	-1.0	-43.12	399.20	5.00	-38.12
NC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295691	0	47	-1.0	-45.26	374.16	4.44	-40.82
NC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295691	1	47	-1.0	-45.23	374.19	4.45	-40.78
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1CCOC	REAL300020295692	0	59	0.0	-64.27	433.76	8.68	-55.59
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1CCOC	REAL300020295692	1	59	0.0	-65.42	440.82	8.76	-56.66
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1CCOC	REAL300020295692	1	58	-1.0	-43.22	436.81	5.68	-37.54
CN1N=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=CC1=O	REAL300020295693	0	49	-1.0	-48.79	395.65	5.79	-43.00
CN1N=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=CC1=O	REAL300020295693	1	49	-1.0	-48.82	395.70	5.80	-43.02
CN1N=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=CC1=O	REAL300020295694	0	46	-1.0	-49.85	375.39	5.11	-44.74
CN1N=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=CC1=O	REAL300020295694	1	46	-1.0	-49.89	375.45	5.14	-44.75
C(CC1=NN=C(N2CCOC3(CCOCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295695	0	52	-1.0	-41.59	396.81	6.44	-35.15
C(CC1=NN=C(N2CCOC3(CCOCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295695	1	52	-1.0	-41.61	396.87	6.45	-35.16
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCOCC3)C2)N1CC1CC1	REAL300020295696	0	49	-1.0	-44.36	367.40	5.85	-38.51
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCOCC3)C2)N1CC1CC1	REAL300020295696	1	49	-1.0	-44.34	367.46	5.85	-38.49
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2(CCOCC2)O1	REAL300020295697	0	55	-1.0	-40.11	427.78	7.17	-32.94
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2(CCOCC2)O1	REAL300020295697	1	55	-1.0	-40.10	427.84	7.19	-32.91
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2(CCOCC2)O1	REAL300020295698	0	52	-1.0	-44.25	388.59	6.58	-37.67
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2(CCOCC2)O1	REAL300020295698	1	52	-1.0	-44.21	388.65	6.61	-37.60
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2(CCCOC2)O1	REAL300020295699	0	55	-1.0	-40.51	426.33	7.38	-33.13
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2(CCCOC2)O1	REAL300020295699	1	55	-1.0	-40.50	426.39	7.40	-33.10
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2(CCCOC2)O1	REAL300020295700	0	52	-1.0	-44.38	405.18	6.84	-37.54
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2(CCCOC2)O1	REAL300020295700	1	52	-1.0	-44.41	405.24	6.85	-37.56
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2(CCOC2)O1	REAL300020295701	0	52	-1.0	-40.18	412.53	6.51	-33.67
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2(CCOC2)O1	REAL300020295701	1	52	-1.0	-40.19	412.59	6.53	-33.66
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2(CCOC2)O1	REAL300020295702	0	49	-1.0	-43.83	377.12	4.99	-38.84
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2(CCOC2)O1	REAL300020295702	1	49	-1.0	-43.84	377.18	5.02	-38.82
CC(C)COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295703	0	54	-1.0	-43.64	437.52	8.02	-35.62
CC(C)COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295703	1	54	-1.0	-43.65	437.58	8.04	-35.61
C(CC1=NN=C(N2CCC(OC3CCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295704	0	57	-1.0	-40.07	433.83	9.73	-30.34
C(CC1=NN=C(N2CCC(OC3CCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295704	1	57	-1.0	-40.08	433.89	9.74	-30.34
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(OC3CCCC3)CC2)N1CC1CC1	REAL300020295705	0	54	-1.0	-41.96	404.34	9.13	-32.83
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(OC3CCCC3)CC2)N1CC1CC1	REAL300020295705	1	54	-1.0	-42.02	404.39	9.14	-32.88
COC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295706	0	54	-1.0	-43.45	426.11	9.73	-33.72
COC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295706	1	54	-1.0	-43.46	426.17	9.74	-33.72
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295707	0	51	-1.0	-48.05	404.88	9.07	-38.98
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295707	1	51	-1.0	-48.04	404.94	9.08	-38.96
CN(CCC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295708	0	55	-1.0	-40.64	415.74	10.43	-30.21
CN(CCC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295708	1	55	-1.0	-40.68	415.80	10.44	-30.24
CN(CCC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295709	0	52	-1.0	-44.62	403.51	9.54	-35.08
CN(CCC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295709	1	52	-1.0	-44.61	403.57	9.57	-35.04
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1C	REAL300020295710	0	53	-1.0	-40.50	430.37	9.33	-31.17
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1C	REAL300020295710	1	53	-1.0	-40.50	430.43	9.35	-31.15
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1C	REAL300020295711	0	50	-1.0	-44.12	410.00	8.59	-35.53
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1C	REAL300020295711	1	50	-1.0	-44.13	409.88	8.62	-35.51
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295712	0	53	-1.0	-41.89	416.14	10.90	-30.99
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295712	1	53	-1.0	-41.91	416.20	10.92	-30.99
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295713	0	50	-1.0	-45.47	391.25	10.44	-35.03
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CC(C)NC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295718	0	55	-1.0	-51.10	435.22	4.78	-46.32
CC(C)NC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295718	1	55	-1.0	-51.11	435.27	4.81	-46.30
O=C(CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1)NC1CC1	REAL300020295719	0	53	-1.0	-50.89	429.71	4.68	-46.21
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CNC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020295720	0	53	-1.0	-45.24	429.01	7.70	-37.54
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295720	1	53	-1.0	-45.26	429.07	7.72	-37.54
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020295721	0	50	-1.0	-46.57	413.39	7.03	-39.54
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295721	1	50	-1.0	-46.59	413.45	7.06	-39.53
CCNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295722	0	52	-1.0	-45.96	415.77	6.20	-39.76
CCNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295722	1	52	-1.0	-45.96	415.82	6.23	-39.73
CCNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295723	0	49	-1.0	-46.11	397.19	5.56	-40.55
CCNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295723	1	49	-1.0	-46.15	397.25	5.58	-40.57
CNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295724	0	50	-1.0	-43.95	405.37	5.89	-38.06
CNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295724	1	50	-1.0	-43.94	405.43	5.91	-38.03
CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295725	0	47	-1.0	-48.14	377.45	5.24	-42.90
CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295725	1	47	-1.0	-48.18	377.49	5.25	-42.93
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295726	0	49	-1.0	-41.18	402.26	8.36	-32.82
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295726	1	49	-1.0	-41.24	402.31	8.37	-32.87
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295727	0	46	-1.0	-44.64	374.33	7.70	-36.94
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295727	1	46	-1.0	-44.66	374.38	7.72	-36.94
CN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295728	0	48	-1.0	-53.58	406.39	7.43	-46.15
CN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295728	1	48	-1.0	-53.58	406.44	7.45	-46.13
CN(CCOC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295729	0	50	-1.0	-42.38	408.85	9.25	-33.13
CN(CCOC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295729	1	50	-1.0	-42.38	408.91	9.26	-33.12
CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295730	0	47	-1.0	-43.25	387.35	8.46	-34.79
CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295730	1	47	-1.0	-43.25	387.41	8.49	-34.76
CCOC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1OC	REAL300020295731	0	54	-1.0	-45.69	440.15	8.69	-37.00
CCOC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1OC	REAL300020295731	1	54	-1.0	-45.68	440.21	8.71	-36.97
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020295732	0	53	-1.0	-41.10	423.91	9.64	-31.46
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295732	1	53	-1.0	-41.10	423.97	9.66	-31.44
CCOC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020295733	0	50	-1.0	-41.91	408.29	8.98	-32.93
CCOC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295733	1	50	-1.0	-41.95	408.34	9.00	-32.95
COC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295734	0	50	-1.0	-41.47	404.48	8.88	-32.59
COC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295734	1	50	-1.0	-41.44	404.53	8.89	-32.55
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295735	0	47	-1.0	-43.95	385.10	8.15	-35.80
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295735	1	47	-1.0	-43.90	385.04	8.12	-35.78
CCC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020295736	0	52	-1.0	-40.48	415.45	10.86	-29.62
CCC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295736	1	52	-1.0	-40.49	415.50	10.88	-29.61
CCC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295737	0	49	-1.0	-41.26	399.89	10.22	-31.04
CCC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020295737	1	49	-1.0	-41.25	399.83	10.19	-31.06
CCC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C2O1	REAL300020295738	0	52	-1.0	-43.99	422.64	10.74	-33.25
CCC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C2O1	REAL300020295738	1	52	-1.0	-44.04	422.69	10.74	-33.30
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020295739	0	57	-1.0	-42.11	452.07	11.06	-31.05
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295739	1	57	-1.0	-42.09	452.12	11.08	-31.01
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295740	0	50	-1.0	-41.20	419.83	9.12	-32.08
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295740	1	50	-1.0	-41.18	419.89	9.14	-32.04
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295741	0	47	-1.0	-42.97	393.76	8.52	-34.45
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295741	1	47	-1.0	-43.01	393.82	8.55	-34.46
CN(CCOC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295742	0	47	-1.0	-43.56	404.08	8.98	-34.58
CN(CCOC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295742	1	47	-1.0	-43.52	404.14	9.01	-34.51
CN(CCOC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295743	0	47	-1.0	-44.74	403.38	9.01	-35.73
CN(CCOC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295743	1	47	-1.0	-44.72	403.44	9.04	-35.68
CN(CC1=CC=C(N2CCCC2)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295744	0	55	-1.0	-41.11	434.95	9.27	-31.84
CN(CC1=CC=C(N2CCCC2)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295744	1	55	-1.0	-41.07	435.01	9.29	-31.78
CN(CCOC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295745	0	50	-1.0	-45.59	415.08	9.31	-36.28
CN(CCOC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295745	1	50	-1.0	-45.61	415.14	9.33	-36.28
CN(CCOC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295746	0	47	-1.0	-46.25	393.57	8.53	-37.72
CN(CCOC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295746	1	47	-1.0	-46.22	393.63	8.55	-37.67
CC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295747	0	53	-1.0	-42.21	428.93	9.99	-32.22
CC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295747	1	53	-1.0	-42.26	428.99	10.01	-32.25
CC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295748	0	50	-1.0	-43.16	407.43	9.22	-33.94
CC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295748	1	50	-1.0	-43.13	407.49	9.23	-33.90
CS(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295749	0	48	-1.0	-50.28	399.61	4.38	-45.90
CS(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295749	1	48	-1.0	-50.30	399.66	4.40	-45.90
CS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295750	0	45	-1.0	-46.12	381.17	3.39	-42.73
CS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295750	1	45	-1.0	-46.10	381.23	3.42	-42.68
C1=CC=C(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)N=C1	REAL300020295751	0	54	-1.0	-43.95	431.37	7.24	-36.71
C1=CC=C(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)N=C1	REAL300020295751	1	54	-1.0	-43.98	431.43	7.25	-36.73
C1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)N=C1	REAL300020295752	0	51	-1.0	-45.50	414.88	6.28	-39.22
C1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)N=C1	REAL300020295752	1	51	-1.0	-45.50	414.94	6.29	-39.21
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295753	0	55	-1.0	-40.20	434.56	9.19	-31.01
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295753	1	55	-1.0	-40.32	434.62	9.20	-31.12
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295754	0	52	-1.0	-42.25	415.97	8.52	-33.73
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295754	1	52	-1.0	-42.25	416.02	8.54	-33.71
C1=COC(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295755	0	52	-1.0	-42.77	417.13	7.23	-35.54
C1=COC(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295755	1	52	-1.0	-42.77	417.19	7.24	-35.53
C1=COC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295756	0	49	-1.0	-44.75	400.62	6.26	-38.49
C1=COC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295756	1	49	-1.0	-44.78	400.67	6.28	-38.50
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295757	0	47	-1.0	-40.49	370.17	6.79	-33.70
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295757	1	47	-1.0	-40.48	370.23	6.80	-33.68
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295758	0	44	-1.0	-42.31	340.70	6.20	-36.11
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295758	1	44	-1.0	-42.28	340.72	6.21	-36.07
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020295759	0	51	-1.0	-42.29	394.38	8.60	-33.69
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295759	1	51	-1.0	-42.32	394.41	8.59	-33.73
C1=CC=C(CC[NH+]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020295760	0	56	0.0	-67.98	443.28	11.37	-56.61
C1=CC=C(CC[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020295760	1	56	0.0	-67.97	443.34	11.39	-56.58
COC(=O)C1=C(C)OC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020295761	0	49	-1.0	-42.71	420.12	8.27	-34.44
COC(=O)C1=C(C)OC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020295761	1	49	-1.0	-42.69	420.18	8.31	-34.38
FC(F)(F)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295762	0	48	-1.0	-42.20	395.32	6.66	-35.54
FC(F)(F)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295762	1	48	-1.0	-42.20	395.37	6.68	-35.52
FC(F)(F)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295763	0	45	-1.0	-43.02	370.37	5.12	-37.90
FC(F)(F)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295763	1	45	-1.0	-43.04	370.42	5.14	-37.90
COCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295764	0	52	-1.0	-42.29	411.29	5.10	-37.19
COCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295764	1	52	-1.0	-42.25	411.34	5.12	-37.13
COCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295764	1	53	0.0	-65.31	416.97	7.41	-57.90
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295765	0	49	-1.0	-43.97	394.43	4.35	-39.62
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295765	1	49	-1.0	-43.98	394.50	4.38	-39.60
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295765	1	50	0.0	-66.84	387.28	6.94	-59.90
COC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295766	0	49	-1.0	-45.17	402.50	8.31	-36.86
COC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295766	1	49	-1.0	-45.16	402.55	8.33	-36.83
COC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295767	0	46	-1.0	-51.66	379.68	7.52	-44.14
COC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295767	1	46	-1.0	-51.64	379.74	7.53	-44.11
CCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295768	0	46	-1.0	-41.25	369.32	6.52	-34.73
CCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295768	1	46	-1.0	-41.24	369.37	6.54	-34.70
CCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295769	0	43	-1.0	-42.52	352.99	5.87	-36.65
CCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295769	1	43	-1.0	-42.54	353.05	5.89	-36.65
CCOCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295770	0	50	-1.0	-42.42	404.25	8.45	-33.97
CCOCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295770	1	50	-1.0	-42.38	404.30	8.43	-33.95
NC(=O)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295771	0	53	-1.0	-47.69	414.45	5.88	-41.81
NC(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295771	1	53	-1.0	-47.67	414.51	5.89	-41.78
NC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295772	0	50	-1.0	-48.82	384.97	5.27	-43.55
NC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295772	1	50	-1.0	-48.85	385.00	5.29	-43.56
CC(C)OCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295773	0	58	-1.0	-42.16	453.74	6.82	-35.34
CC(C)OCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295773	1	58	-1.0	-42.18	453.80	6.84	-35.34
CC(C)OCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295773	1	59	0.0	-65.45	459.09	9.12	-56.33
CC(C)OCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295774	0	55	-1.0	-43.99	436.57	6.08	-37.91
CC(C)OCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295774	1	55	-1.0	-43.99	436.63	6.11	-37.88
CC(C)OCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295774	1	56	0.0	-63.18	437.60	8.35	-54.83
COCCC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020295775	0	51	-1.0	-39.14	431.31	4.69	-34.45
COCCC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020295775	1	51	-1.0	-39.13	431.36	4.70	-34.43
COCCC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020295776	0	48	-1.0	-40.29	410.28	4.11	-36.18
COCCC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020295776	1	48	-1.0	-40.30	410.34	4.14	-36.16
CN(CCC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295777	0	53	-1.0	-41.39	406.88	8.04	-33.35
CN(CCC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295777	1	53	-1.0	-41.36	406.94	8.05	-33.31
CN(CCC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295778	0	50	-1.0	-42.31	391.61	7.35	-34.96
CN(CCC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295778	1	50	-1.0	-42.30	391.67	7.38	-34.92
C(CC1=NN=C(N2CCOC3(CCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295779	0	51	-1.0	-40.62	396.65	8.06	-32.56
C(CC1=NN=C(N2CCOC3(CCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295779	1	51	-1.0	-40.62	396.71	8.07	-32.55
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCCC3)C2)N1CC1CC1	REAL300020295780	0	48	-1.0	-45.01	375.55	7.30	-37.71
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCCC3)C2)N1CC1CC1	REAL300020295780	1	48	-1.0	-45.02	375.61	7.32	-37.70
C(CC1=NN=C(N2CC[NH+](C3CCOCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295781	0	57	0.0	-66.73	429.61	7.95	-58.78
C(CC1=NN=C(N2CC[NH+](C3CCOCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295781	1	57	0.0	-66.77	429.66	7.96	-58.81
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCOCC3)CC2)N1CC1CC1	REAL300020295782	0	54	0.0	-64.42	408.12	7.16	-57.26
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCOCC3)CC2)N1CC1CC1	REAL300020295782	1	54	0.0	-64.44	408.17	7.19	-57.25
CN(CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295783	0	49	-1.0	-45.53	404.93	8.81	-36.72
CN(CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295783	1	49	-1.0	-45.57	404.96	8.84	-36.73
COC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295784	0	54	-1.0	-42.31	429.35	9.76	-32.55
COC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295784	1	54	-1.0	-42.34	429.41	9.78	-32.56
COC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295785	0	51	-1.0	-46.89	402.10	9.29	-37.60
COC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295785	1	51	-1.0	-46.92	402.16	9.31	-37.61
CC1=CSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020295786	0	48	-1.0	-43.82	404.77	6.56	-37.26
CC1=CSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020295786	1	48	-1.0	-43.82	404.83	6.58	-37.24
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C[NH+]3CCOCC3)CC2)N1CC1CC1	REAL300020295787	0	57	0.0	-69.82	434.49	8.36	-61.46
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C[NH+]3CCOCC3)CC2)N1CC1CC1	REAL300020295787	1	57	0.0	-69.82	434.54	8.38	-61.44
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295788	0	61	0.0	-74.43	450.49	11.41	-63.02
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295788	1	61	0.0	-68.53	462.32	11.10	-57.43
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295788	1	61	0.0	-74.46	450.55	11.43	-63.03
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295788	1	61	0.0	-68.57	462.37	11.12	-57.45
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C[NH+]3CCCCCC3)CC2)N1CC1CC1	REAL300020295789	0	62	0.0	-71.15	446.89	11.16	-59.99
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C[NH+]3CCCCCC3)CC2)N1CC1CC1	REAL300020295789	1	62	0.0	-71.19	446.94	11.17	-60.02
CN(CC1=C(Cl)C=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295790	0	43	-1.0	-47.23	379.98	9.33	-37.90
CN(CC1=C(Cl)C=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295790	1	43	-1.0	-47.25	380.04	9.34	-37.91
CS(=O)(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295791	0	51	-1.0	-52.08	416.69	3.84	-48.24
CS(=O)(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295791	1	51	-1.0	-52.06	416.73	3.87	-48.19
C1=CSC(CC[NH+]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295792	0	53	0.0	-66.41	433.96	10.25	-56.16
C1=CSC(CC[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295792	1	53	0.0	-66.43	434.02	10.28	-56.15
CC1=CC(C)=NC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020295793	0	53	-1.0	-45.55	431.94	8.65	-36.90
CC1=CC(C)=NC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020295793	1	53	-1.0	-45.56	432.01	8.67	-36.89
C1=CC=C(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295794	0	53	-1.0	-40.82	418.96	11.10	-29.72
C1=CC=C(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295794	1	53	-1.0	-40.84	419.02	11.12	-29.72
C1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295795	0	50	-1.0	-44.79	394.04	10.54	-34.25
C1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295795	1	50	-1.0	-44.79	394.10	10.56	-34.23
CN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295796	0	45	-1.0	-54.78	377.19	4.01	-50.77
CN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295796	1	45	-1.0	-54.78	377.25	4.03	-50.75
CN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295797	0	42	-1.0	-55.50	361.37	3.34	-52.16
CN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295797	1	42	-1.0	-55.55	361.42	3.37	-52.18
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CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1C	REAL300020295799	0	55	-1.0	-41.63	435.40	9.77	-31.86
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1C	REAL300020295799	1	55	-1.0	-41.66	435.45	9.80	-31.86
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC12CCCCC2	REAL300020295800	0	57	-1.0	-46.06	428.34	9.08	-36.98
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC12CCCCC2	REAL300020295800	1	57	-1.0	-46.09	428.39	9.10	-36.99
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295801	0	48	-1.0	-41.47	411.02	9.06	-32.41
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295801	1	48	-1.0	-41.41	411.07	9.07	-32.34
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295802	0	45	-1.0	-42.82	388.41	8.16	-34.66
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295802	1	45	-1.0	-42.80	388.46	8.19	-34.61
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295803	0	55	-1.0	-42.01	432.26	10.32	-31.69
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295803	1	55	-1.0	-42.01	432.32	10.36	-31.65
C(CC1=NN=C(N2CCOC(C3CCCO3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295804	0	52	-1.0	-43.23	410.93	6.69	-36.54
C(CC1=NN=C(N2CCOC(C3CCCO3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295804	1	52	-1.0	-43.25	410.99	6.70	-36.55
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC(C3CCCO3)C2)N1CC1CC1	REAL300020295805	0	49	-1.0	-48.38	391.29	5.99	-42.39
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC(C3CCCO3)C2)N1CC1CC1	REAL300020295805	1	49	-1.0	-48.40	391.35	6.00	-42.40
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295806	0	46	-1.0	-40.62	362.96	8.42	-32.20
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295806	1	46	-1.0	-40.66	363.02	8.44	-32.22
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295807	0	43	-1.0	-42.55	341.50	7.66	-34.89
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295807	1	43	-1.0	-42.54	341.44	7.64	-34.90
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295808	0	50	-1.0	-42.26	388.02	10.27	-31.99
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295808	1	50	-1.0	-42.23	388.06	10.25	-31.98
C(CC1=NN=C(N2CCC3(CCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295809	0	47	-1.0	-40.86	371.39	8.78	-32.08
C(CC1=NN=C(N2CCC3(CCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295809	1	47	-1.0	-40.85	371.45	8.79	-32.06
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCC3)C2)N1CC1CC1	REAL300020295810	0	44	-1.0	-45.79	350.66	8.03	-37.76
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCC3)C2)N1CC1CC1	REAL300020295810	1	44	-1.0	-45.75	350.71	8.04	-37.71
C1=CC(C2=NN=C(N3CCC4(CCC4)C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020295811	0	51	-1.0	-42.55	394.40	10.73	-31.82
C1=CC(C2=NN=C(N3CCC4(CCC4)C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020295811	1	51	-1.0	-42.51	394.43	10.72	-31.79
FC1=CC=CC=C1C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295812	0	51	-1.0	-43.94	417.79	10.98	-32.96
FC1=CC=CC=C1C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295812	1	51	-1.0	-43.96	417.85	11.01	-32.95
CN(CCOCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295813	0	53	-1.0	-42.65	429.24	9.57	-33.08
CN(CCOCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295813	1	53	-1.0	-42.66	429.29	9.59	-33.07
CN(CCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295814	0	50	-1.0	-44.05	412.90	8.91	-35.14
CN(CCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295814	1	50	-1.0	-44.07	412.96	8.94	-35.13
CN(CC1=CC=CC(Cl)=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295815	0	43	-1.0	-48.41	380.13	9.81	-38.60
CN(CC1=CC=CC(Cl)=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295815	1	43	-1.0	-48.44	380.17	9.83	-38.61
OC1(C2=CC=CC=C2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295816	0	54	-1.0	-42.71	424.89	8.34	-34.37
OC1(C2=CC=CC=C2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295816	1	54	-1.0	-42.74	424.94	8.35	-34.39
OC1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295817	0	51	-1.0	-44.14	408.33	7.37	-36.77
OC1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295817	1	51	-1.0	-44.19	408.39	7.39	-36.80
CC1=NOC(C2(C)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020295818	0	54	-1.0	-47.93	431.72	6.99	-40.94
CC1=NOC(C2(C)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020295818	1	54	-1.0	-47.88	431.78	7.01	-40.87
CC1=NOC(C2(C)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020295819	0	51	-1.0	-49.10	411.88	6.26	-42.84
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N#CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295820	0	41	-1.0	-44.13	344.27	7.25	-36.88
N#CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295820	1	41	-1.0	-44.11	344.32	7.27	-36.84
N#CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295821	0	38	-1.0	-44.03	326.64	6.61	-37.42
N#CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295821	1	38	-1.0	-44.01	326.70	6.63	-37.38
N#CC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295822	0	45	-1.0	-45.84	373.21	9.24	-36.60
N#CC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295822	1	45	-1.0	-45.82	373.24	9.22	-36.60
CC(C)COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295823	0	53	-1.0	-40.35	418.56	8.57	-31.78
CC(C)COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295823	1	53	-1.0	-40.39	418.61	8.59	-31.80
CC(C)COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295824	0	50	-1.0	-41.37	397.04	7.79	-33.58
CC(C)COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295824	1	50	-1.0	-41.38	397.10	7.81	-33.57
CC(C)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295825	0	58	-1.0	-40.26	437.33	11.12	-29.14
CC(C)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295825	1	58	-1.0	-40.26	437.39	11.13	-29.13
CC(C)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295826	0	55	-1.0	-43.14	407.85	10.52	-32.62
CC(C)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295826	1	55	-1.0	-43.15	407.89	10.53	-32.62
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295827	0	55	-1.0	-40.25	415.46	10.32	-29.93
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295827	1	55	-1.0	-40.28	415.52	10.33	-29.95
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295828	0	52	-1.0	-43.56	395.30	9.80	-33.76
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295828	1	52	-1.0	-43.58	395.34	9.80	-33.78
CC(C)OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295829	0	53	-1.0	-40.34	412.74	8.53	-31.81
CC(C)OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295829	1	53	-1.0	-40.34	412.80	8.55	-31.79
CC(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295830	0	50	-1.0	-43.27	391.18	7.75	-35.52
CC(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295830	1	50	-1.0	-43.32	391.23	7.77	-35.55
CN(CC1=COC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295831	0	43	-1.0	-40.32	364.28	7.38	-32.94
CN(CC1=COC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295831	1	43	-1.0	-40.34	364.34	7.39	-32.95
CN(CC1=COC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295832	0	40	-1.0	-42.23	338.57	6.77	-35.46
CN(CC1=COC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295832	1	40	-1.0	-42.21	338.51	6.74	-35.47
CN(CC1=COC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295833	0	47	-1.0	-42.01	388.99	9.27	-32.74
CN(CC1=COC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295833	1	47	-1.0	-42.06	389.04	9.26	-32.80
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295834	0	55	0.0	-60.88	413.35	8.95	-51.93
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295834	1	55	0.0	-60.92	413.41	8.96	-51.96
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295835	0	52	0.0	-63.44	380.86	8.48	-54.96
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295835	1	52	0.0	-63.43	380.91	8.50	-54.93
CC1=NOC(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020295836	0	51	-1.0	-44.97	409.85	6.94	-38.03
CC1=NOC(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020295836	1	51	-1.0	-44.98	409.91	6.96	-38.02
CC1=NOC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020295837	0	48	-1.0	-47.30	380.45	6.32	-40.98
CC1=NOC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020295837	1	48	-1.0	-47.36	380.50	6.34	-41.02
CC1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020295838	0	51	-1.0	-42.69	417.60	7.04	-35.65
CC1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020295838	1	51	-1.0	-42.68	417.66	7.05	-35.63
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020295839	0	48	-1.0	-44.39	391.97	6.24	-38.15
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020295839	1	48	-1.0	-44.39	392.01	6.25	-38.14
C1=NC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=CS1	REAL300020295840	0	48	-1.0	-44.98	404.73	5.12	-39.86
C1=NC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=CS1	REAL300020295840	1	48	-1.0	-44.96	404.79	5.15	-39.81
CN(CCC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295841	0	49	-1.0	-42.66	409.17	10.17	-32.49
CN(CCC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295841	1	49	-1.0	-42.70	409.23	10.18	-32.52
CN(CCC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295842	0	46	-1.0	-46.56	388.29	9.42	-37.14
CN(CCC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295842	1	46	-1.0	-46.56	388.35	9.44	-37.12
CN(CC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295843	0	48	-1.0	-40.46	373.72	7.85	-32.61
CN(CC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295843	1	48	-1.0	-40.49	373.78	7.87	-32.62
CN(CC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295844	0	45	-1.0	-45.62	352.10	8.16	-37.46
CN(CC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295844	1	45	-1.0	-45.62	352.04	8.15	-37.47
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295845	0	52	-1.0	-41.68	398.99	10.81	-30.87
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295845	1	52	-1.0	-41.68	399.04	10.80	-30.88
CN(CC1CCCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295846	0	50	-1.0	-41.53	385.27	7.45	-34.08
CN(CC1CCCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295846	1	50	-1.0	-41.48	385.33	7.46	-34.02
CN(CC1CCCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295847	0	47	-1.0	-42.38	372.72	6.91	-35.47
CN(CC1CCCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295847	1	47	-1.0	-42.38	372.78	6.94	-35.44
CN(CC1CCCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295848	0	54	-1.0	-43.19	412.32	9.40	-33.79
CN(CC1CCCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295848	1	54	-1.0	-43.18	412.36	9.39	-33.79
OC1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295849	0	47	-1.0	-42.10	379.44	5.40	-36.70
OC1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295849	1	47	-1.0	-42.10	379.49	5.41	-36.69
OC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295850	0	44	-1.0	-45.93	370.05	4.86	-41.07
OC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295850	1	44	-1.0	-46.00	370.11	4.87	-41.13
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295851	0	50	-1.0	-49.12	413.02	6.31	-42.81
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295851	1	50	-1.0	-49.16	413.08	6.32	-42.84
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295852	0	47	-1.0	-50.39	394.85	5.35	-45.04
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295852	1	47	-1.0	-50.39	394.97	5.32	-45.07
CCCCCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295853	0	60	-1.0	-40.47	464.05	11.93	-28.54
CCCCCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295853	1	60	-1.0	-40.52	464.11	11.95	-28.57
CCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295854	0	57	-1.0	-42.77	434.64	11.33	-31.44
CCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295854	1	57	-1.0	-42.79	434.69	11.35	-31.44
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=CO1	REAL300020295855	0	46	-1.0	-40.98	379.87	8.31	-32.67
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=CO1	REAL300020295855	1	46	-1.0	-40.99	379.93	8.32	-32.67
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=CO1	REAL300020295856	0	43	-1.0	-42.21	360.65	7.62	-34.59
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=CO1	REAL300020295856	1	43	-1.0	-42.24	360.59	7.59	-34.65
CC1=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C=CO1	REAL300020295857	0	50	-1.0	-42.84	398.88	9.99	-32.85
CC1=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C=CO1	REAL300020295857	1	50	-1.0	-42.84	398.98	9.99	-32.85
CC(C)(C)OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295858	0	56	-1.0	-40.23	425.67	8.87	-31.36
CC(C)(C)OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295858	1	56	-1.0	-40.20	425.73	8.89	-31.31
CC(C)(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295859	0	53	-1.0	-42.14	396.19	8.27	-33.87
CC(C)(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295859	1	53	-1.0	-42.17	396.23	8.28	-33.89
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295860	0	58	-1.0	-39.65	454.64	11.86	-27.79
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295860	1	58	-1.0	-39.66	454.70	11.87	-27.79
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295861	0	55	-1.0	-41.08	433.10	11.06	-30.02
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295861	1	55	-1.0	-41.07	433.15	11.09	-29.98
CN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295862	0	46	-1.0	-41.05	384.89	9.60	-31.45
CN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295862	1	46	-1.0	-41.05	384.95	9.62	-31.43
CN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295863	0	43	-1.0	-43.06	366.91	8.64	-34.42
CN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295863	1	43	-1.0	-43.03	366.85	8.63	-34.40
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295864	0	49	-1.0	-39.25	399.96	10.30	-28.95
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295864	1	49	-1.0	-39.28	400.01	10.31	-28.97
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295865	0	46	-1.0	-44.26	367.96	9.85	-34.41
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295865	1	46	-1.0	-44.23	367.92	9.83	-34.40
CN(CC1=CC=C(OC(F)F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295866	0	47	-1.0	-43.63	396.19	8.33	-35.30
CN(CC1=CC=C(OC(F)F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295866	1	47	-1.0	-43.63	396.25	8.36	-35.27
CC(C)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020295867	0	55	-1.0	-39.68	438.67	11.46	-28.22
CC(C)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295867	1	55	-1.0	-39.64	438.72	11.48	-28.16
CC(C)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020295868	0	52	-1.0	-41.05	417.17	10.68	-30.37
CC(C)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020295868	1	52	-1.0	-41.07	417.22	10.70	-30.37
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2C)=C1	REAL300020295869	0	55	-1.0	-44.44	436.79	9.30	-35.14
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2C)=C1	REAL300020295869	1	55	-1.0	-44.40	436.85	9.32	-35.08
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295870	0	46	-1.0	-39.90	389.28	9.94	-29.96
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295870	1	46	-1.0	-39.94	389.33	9.95	-29.99
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295871	0	43	-1.0	-40.21	373.67	9.27	-30.94
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295871	1	43	-1.0	-40.24	373.72	9.29	-30.95
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295872	0	54	-1.0	-43.98	425.14	10.18	-33.80
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295872	1	54	-1.0	-44.04	425.20	10.20	-33.84
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CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295873	1	51	-1.0	-43.95	409.64	9.53	-34.42
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295874	0	52	0.0	-63.97	392.90	8.97	-55.00
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CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295874	1	51	-1.0	-39.64	398.97	6.54	-33.10
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295875	0	49	0.0	-60.99	379.84	7.93	-53.06
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295875	1	49	0.0	-65.33	365.07	8.12	-57.21
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020295875	1	49	0.0	-60.95	379.78	7.90	-53.05
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1C	REAL300020295875	1	49	0.0	-65.26	365.01	8.09	-57.17
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CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C	REAL300020295875	1	48	-1.0	-43.35	364.04	5.46	-37.89
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1C	REAL300020295876	0	56	0.0	-69.61	425.73	10.84	-58.77
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1C	REAL300020295876	1	56	0.0	-74.05	406.29	10.10	-63.95
CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1C	REAL300020295876	1	55	-1.0	-42.20	412.87	8.34	-33.86
O=C1CCCN1C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295877	0	54	-1.0	-49.81	419.40	8.61	-41.20
O=C1CCCN1C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295877	1	54	-1.0	-49.83	419.45	8.63	-41.20
O=C1CCCN1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295878	0	51	-1.0	-53.16	401.03	7.93	-45.23
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CN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295879	0	50	-1.0	-42.16	387.55	7.61	-34.55
CN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295879	1	50	-1.0	-42.11	387.60	7.63	-34.48
CN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295880	0	47	-1.0	-42.30	373.87	6.67	-35.63
CN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295880	1	47	-1.0	-42.26	373.93	6.70	-35.56
CN(CC1CCOCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295881	0	54	-1.0	-43.79	411.62	9.42	-34.37
CN(CC1CCOCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295881	1	54	-1.0	-43.84	411.66	9.41	-34.43
C=C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295882	0	44	-1.0	-39.63	360.43	8.15	-31.48
C=C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295882	1	44	-1.0	-39.62	360.48	8.17	-31.45
C=C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295883	0	41	-1.0	-43.60	320.76	7.61	-35.99
C=C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295883	1	41	-1.0	-43.52	320.71	7.59	-35.93
C=C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295884	0	48	-1.0	-41.15	389.14	10.30	-30.85
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CCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295886	0	45	-1.0	-44.14	358.73	7.89	-36.25
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CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295887	0	52	-1.0	-43.05	397.37	10.57	-32.48
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295887	1	52	-1.0	-43.03	397.41	10.56	-32.47
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C1=COC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020295889	0	44	-1.0	-43.47	361.62	8.00	-35.47
C1=COC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020295889	1	44	-1.0	-43.46	361.67	8.03	-35.43
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ClC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020295891	0	50	-1.0	-44.41	408.87	11.19	-33.22
ClC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020295891	1	50	-1.0	-44.39	408.92	11.21	-33.18
FC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295892	0	50	-1.0	-42.01	404.59	10.44	-31.57
FC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295892	1	50	-1.0	-41.98	404.65	10.45	-31.53
FC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020295893	0	47	-1.0	-47.44	381.80	9.84	-37.60
FC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020295893	1	47	-1.0	-47.47	381.85	9.85	-37.62
FC1=CC=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020295894	0	50	-1.0	-41.67	406.73	10.49	-31.18
FC1=CC=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020295894	1	50	-1.0	-41.68	406.78	10.51	-31.17
FC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020295895	0	47	-1.0	-42.62	389.71	9.77	-32.85
FC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020295895	1	47	-1.0	-42.59	389.77	9.79	-32.80
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020295896	0	54	-1.0	-45.59	421.63	9.97	-35.62
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020295896	1	54	-1.0	-45.58	421.67	9.99	-35.59
CC(C)(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295897	0	55	-1.0	-40.23	406.41	9.78	-30.45
CC(C)(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295897	1	55	-1.0	-40.22	406.47	9.79	-30.43
CC(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295898	0	52	-1.0	-43.10	384.85	8.99	-34.11
CC(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295898	1	52	-1.0	-43.10	384.90	9.02	-34.08
CC1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020295899	0	56	-1.0	-44.85	434.85	12.12	-32.73
CC1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020295899	1	56	-1.0	-44.86	434.88	12.13	-32.73
CN(CC1=NC2=C(CCCC2)S1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295900	0	52	-1.0	-40.70	422.46	9.40	-31.30
CN(CC1=NC2=C(CCCC2)S1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295900	1	52	-1.0	-40.65	422.52	9.42	-31.23
CN(CC1=NC2=C(CCCC2)S1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295901	0	49	-1.0	-47.81	397.91	8.62	-39.19
CN(CC1=NC2=C(CCCC2)S1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295901	1	49	-1.0	-47.87	397.97	8.65	-39.22
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295902	0	43	-1.0	-40.73	342.58	7.72	-33.01
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295902	1	43	-1.0	-40.70	342.63	7.74	-32.96
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295903	0	47	-1.0	-42.53	367.22	9.55	-32.98
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295903	1	47	-1.0	-42.52	367.26	9.53	-32.99
C(CC1=NN=C(N2CCC3(CCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295904	0	50	-1.0	-40.90	383.71	9.18	-31.72
C(CC1=NN=C(N2CCC3(CCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295904	1	50	-1.0	-40.91	383.77	9.20	-31.71
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCC3)C2)N1CC1CC1	REAL300020295905	0	47	-1.0	-43.85	359.80	8.34	-35.51
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCCC3)C2)N1CC1CC1	REAL300020295905	1	47	-1.0	-43.87	359.86	8.37	-35.50
C1=CC(C2=NN=C(N3CCC4(CCCC4)C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020295906	0	54	-1.0	-42.28	412.82	11.13	-31.15
C1=CC(C2=NN=C(N3CCC4(CCCC4)C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020295906	1	54	-1.0	-42.24	412.86	11.12	-31.12
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295907	0	50	-1.0	-40.59	387.61	7.34	-33.25
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295907	1	50	-1.0	-40.58	387.67	7.35	-33.23
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295908	0	47	-1.0	-42.91	361.97	6.88	-36.03
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295908	1	47	-1.0	-42.91	362.02	6.89	-36.02
COCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295909	0	54	-1.0	-42.39	415.62	9.27	-33.12
COCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295909	1	54	-1.0	-42.37	415.66	9.27	-33.10
CC1=CC=CC(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020295910	0	55	-1.0	-43.91	429.19	9.73	-34.18
CC1=CC=CC(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020295910	1	55	-1.0	-43.93	429.23	9.75	-34.18
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020295911	0	53	-1.0	-43.71	396.68	7.29	-36.42
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020295911	1	53	-1.0	-43.72	396.74	7.30	-36.42
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020295912	0	50	-1.0	-47.40	371.19	6.82	-40.58
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020295912	1	50	-1.0	-47.38	371.21	6.83	-40.55
C1=CC=C2C(=C1)CCC21CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295913	0	52	-1.0	-44.69	396.38	9.20	-35.49
C1=CC=C2C(=C1)CCC21CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295913	1	52	-1.0	-44.63	396.44	9.21	-35.42
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295914	0	46	-1.0	-52.19	382.67	4.54	-47.65
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295914	1	46	-1.0	-52.23	382.73	4.55	-47.68
CS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295915	0	43	-1.0	-52.04	361.16	3.74	-48.30
CS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295915	1	43	-1.0	-52.04	361.21	3.77	-48.27
CC1(C#N)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295916	0	47	-1.0	-41.77	385.65	8.51	-33.26
CC1(C#N)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295916	1	47	-1.0	-41.74	385.71	8.53	-33.21
CC1(C#N)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295917	0	44	-1.0	-47.35	362.32	7.90	-39.45
CC1(C#N)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295917	1	44	-1.0	-47.39	362.38	7.93	-39.46
CC1(C#N)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020295918	0	51	-1.0	-43.85	414.45	10.65	-33.20
CC1(C#N)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020295918	1	51	-1.0	-43.83	414.50	10.65	-33.18
C(CC1=NN=C(N2CCOC3(CCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295919	0	48	-1.0	-40.22	382.05	7.44	-32.78
C(CC1=NN=C(N2CCOC3(CCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295919	1	48	-1.0	-40.19	382.11	7.46	-32.73
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCC3)C2)N1CC1CC1	REAL300020295920	0	45	-1.0	-42.02	358.21	6.63	-35.39
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCC3)C2)N1CC1CC1	REAL300020295920	1	45	-1.0	-42.01	358.27	6.65	-35.36
C1=CC(C2=NN=C(N3CCOC4(CCC4)C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020295921	0	52	-1.0	-42.17	404.60	9.25	-32.92
C1=CC(C2=NN=C(N3CCOC4(CCC4)C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020295921	1	52	-1.0	-42.14	404.63	9.24	-32.90
FC1=CN=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)N=C1	REAL300020295922	0	50	-1.0	-41.64	413.78	8.53	-33.11
FC1=CN=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)N=C1	REAL300020295922	1	50	-1.0	-41.66	413.72	8.52	-33.14
FC1=CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)N=C1	REAL300020295923	0	47	-1.0	-42.88	395.09	7.56	-35.32
FC1=CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)N=C1	REAL300020295923	1	47	-1.0	-42.93	395.04	7.53	-35.40
CCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295924	0	50	-1.0	-39.92	392.44	7.56	-32.36
CCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295924	1	50	-1.0	-39.90	392.50	7.57	-32.33
CCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295925	0	47	-1.0	-42.31	370.82	6.99	-35.32
CCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295925	1	47	-1.0	-42.24	370.87	7.02	-35.22
CCC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020295926	0	54	-1.0	-41.57	417.58	9.43	-32.14
CCC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020295926	1	54	-1.0	-41.50	417.62	9.43	-32.07
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295927	0	49	-1.0	-51.36	396.97	5.13	-46.23
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295927	1	49	-1.0	-51.42	397.03	5.14	-46.28
CS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295928	0	46	-1.0	-51.57	367.50	4.54	-47.03
CS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295928	1	46	-1.0	-51.60	367.52	4.56	-47.04
CC(C)OCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295929	0	54	-1.0	-41.33	427.36	7.09	-34.24
CC(C)OCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295929	1	54	-1.0	-41.34	427.42	7.11	-34.23
CC(C)OCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020295930	0	51	-1.0	-43.81	404.10	6.26	-37.55
CC(C)OCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020295930	1	51	-1.0	-43.77	404.18	6.29	-37.48
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295931	0	48	-1.0	-54.22	398.67	4.90	-49.32
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295931	1	48	-1.0	-54.22	398.72	4.91	-49.31
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295932	0	45	-1.0	-55.01	382.83	4.23	-50.78
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295932	1	45	-1.0	-55.03	382.88	4.25	-50.78
C(CC1=NN=C(N2CCC3(CCO3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295933	0	48	-1.0	-42.64	385.22	6.98	-35.66
C(CC1=NN=C(N2CCC3(CCO3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295933	1	48	-1.0	-42.62	385.28	6.99	-35.63
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCO3)CC2)N1CC1CC1	REAL300020295934	0	45	-1.0	-44.91	363.72	6.19	-38.72
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCO3)CC2)N1CC1CC1	REAL300020295934	1	45	-1.0	-44.89	363.78	6.22	-38.67
C1=CC(C2=NN=C(N3CCC4(CCO4)CC3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020295935	0	52	-1.0	-44.60	404.84	9.00	-35.60
C1=CC(C2=NN=C(N3CCC4(CCO4)CC3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020295935	1	52	-1.0	-44.59	404.87	8.99	-35.60
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1=NC=CS1	REAL300020295936	0	48	-1.0	-44.06	406.15	8.24	-35.82
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1=NC=CS1	REAL300020295936	1	48	-1.0	-44.05	406.20	8.25	-35.80
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1=NC=CS1	REAL300020295937	0	45	-1.0	-46.64	383.78	7.17	-39.47
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1=NC=CS1	REAL300020295937	1	45	-1.0	-46.64	383.87	7.19	-39.45
O=C1OCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCN12	REAL300020295938	0	46	-1.0	-45.25	366.21	5.58	-39.67
O=C1OCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCN12	REAL300020295938	1	46	-1.0	-45.28	366.26	5.60	-39.68
O=C1OCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCN12	REAL300020295939	0	43	-1.0	-50.50	355.50	5.33	-45.17
O=C1OCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCN12	REAL300020295939	1	43	-1.0	-50.48	355.56	5.35	-45.13
FC(F)(F)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295940	0	46	-1.0	-41.88	378.64	8.71	-33.17
FC(F)(F)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295940	1	46	-1.0	-41.91	378.69	8.73	-33.18
FC(F)(F)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295941	0	43	-1.0	-43.74	357.12	7.93	-35.81
FC(F)(F)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295941	1	43	-1.0	-43.81	357.18	7.95	-35.86
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295942	0	50	-1.0	-41.57	405.05	9.63	-31.94
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295942	1	50	-1.0	-41.56	405.10	9.64	-31.92
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295943	0	47	-1.0	-42.12	394.91	8.60	-33.52
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295943	1	47	-1.0	-42.10	394.85	8.57	-33.53
COCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295944	0	54	-1.0	-45.10	438.97	5.03	-40.07
COCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295944	1	54	-1.0	-45.14	439.02	5.05	-40.09
CC(C)(C)OC(=O)N[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295945	0	54	-1.0	-43.73	428.16	6.21	-37.52
CC(C)(C)OC(=O)N[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295945	1	54	-1.0	-43.73	428.22	6.23	-37.50
CCNC(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295946	0	55	-1.0	-47.24	436.07	4.77	-42.47
CCNC(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295946	1	55	-1.0	-47.23	436.13	4.78	-42.45
CCNC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295947	0	52	-1.0	-49.15	419.91	3.81	-45.34
CCNC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295947	1	52	-1.0	-49.13	419.97	3.83	-45.30
CC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295948	0	50	-1.0	-42.91	407.73	6.04	-36.87
CC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295948	1	50	-1.0	-42.94	407.78	6.06	-36.88
CC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295949	0	47	-1.0	-46.39	384.89	5.25	-41.14
CC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295949	1	47	-1.0	-46.34	384.95	5.27	-41.07
CCOC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295950	0	54	-1.0	-41.51	440.41	6.43	-35.08
CCOC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295950	1	54	-1.0	-41.47	440.47	6.44	-35.03
CCOC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020295951	0	51	-1.0	-45.43	417.59	5.63	-39.80
CCOC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020295951	1	51	-1.0	-45.41	417.65	5.64	-39.77
CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295952	0	49	-1.0	-41.64	400.64	10.38	-31.26
CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295952	1	49	-1.0	-41.67	400.70	10.40	-31.27
CN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295953	0	46	-1.0	-42.90	379.19	9.62	-33.28
CN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295953	1	46	-1.0	-42.90	379.13	9.60	-33.30
C(CC1=NN=C(N2CC[NH+](C3CCCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295954	0	59	0.0	-64.11	442.75	10.59	-53.52
C(CC1=NN=C(N2CC[NH+](C3CCCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295954	1	59	0.0	-64.04	442.70	10.58	-53.46
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCCCC3)CC2)N1CC1CC1	REAL300020295955	0	56	0.0	-63.09	414.80	9.92	-53.17
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCCCC3)CC2)N1CC1CC1	REAL300020295955	1	56	0.0	-63.10	414.84	9.94	-53.16
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1C	REAL300020295956	0	55	-1.0	-42.42	432.96	9.05	-33.37
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1C	REAL300020295956	1	55	-1.0	-42.42	433.01	9.08	-33.34
N#CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295957	0	50	-1.0	-49.97	415.81	8.88	-41.09
N#CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295957	1	50	-1.0	-50.00	415.87	8.91	-41.09
C(CC1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295958	0	56	0.0	-63.87	426.65	10.10	-53.77
C(CC1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295958	1	56	0.0	-63.88	426.71	10.11	-53.77
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1CC1CC1	REAL300020295959	0	53	0.0	-64.57	400.13	9.61	-54.96
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1CC1CC1	REAL300020295959	1	53	0.0	-64.56	400.16	9.63	-54.93
C(CC1=NN=C(N2CC[NH+](CC3CCCCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295960	0	62	0.0	-67.27	464.73	11.49	-55.78
C(CC1=NN=C(N2CC[NH+](CC3CCCCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295960	1	62	0.0	-67.28	464.79	11.50	-55.78
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CCCCC3)CC2)N1CC1CC1	REAL300020295961	0	59	0.0	-64.94	443.24	10.71	-54.23
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CCCCC3)CC2)N1CC1CC1	REAL300020295961	1	59	0.0	-64.88	443.29	10.74	-54.14
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295962	0	52	0.0	-62.83	401.12	8.74	-54.09
CC(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295962	1	51	-1.0	-39.41	392.56	6.20	-33.21
CC(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295962	1	51	-1.0	-39.46	392.62	6.22	-33.24
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295963	0	49	0.0	-60.32	379.63	7.98	-52.34
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295963	1	49	0.0	-60.29	379.57	7.94	-52.35
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020295963	1	48	-1.0	-41.48	373.97	5.53	-35.95
CC(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020295963	1	48	-1.0	-41.53	374.03	5.55	-35.98
CC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295964	0	56	0.0	-68.82	425.90	10.64	-58.18
CC(C)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020295964	1	55	-1.0	-41.48	415.05	8.32	-33.16
COCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295965	0	43	-1.0	-41.32	347.46	5.55	-35.77
COCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295965	1	43	-1.0	-41.28	347.52	5.56	-35.72
COCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295966	0	47	-1.0	-42.49	382.40	7.47	-35.02
COCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295966	1	47	-1.0	-42.43	382.45	7.45	-34.98
CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020295967	0	49	-1.0	-40.72	384.41	8.06	-32.66
CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295967	1	49	-1.0	-40.72	384.47	8.07	-32.65
CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295968	0	46	-1.0	-43.84	359.59	7.66	-36.18
CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295968	1	46	-1.0	-43.76	359.53	7.64	-36.12
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CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295969	1	53	-1.0	-41.93	402.92	10.71	-31.22
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CN(CC1=CC=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020295971	0	42	-1.0	-43.07	357.62	6.78	-36.29
CN(CC1=CC=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295971	1	42	-1.0	-43.07	357.56	6.76	-36.31
CN(CC1=CC=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020295972	0	49	-1.0	-44.64	395.40	9.38	-35.26
CN(CC1=CC=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020295972	1	49	-1.0	-44.63	395.45	9.37	-35.26
C(CC1=NN=C(N2CCCCCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020295973	0	46	-1.0	-39.88	354.73	7.94	-31.94
C(CC1=NN=C(N2CCCCCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020295973	1	46	-1.0	-39.90	354.79	7.95	-31.95
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCC2)N1CC1CC1	REAL300020295974	0	43	-1.0	-42.23	336.16	7.28	-34.95
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCC2)N1CC1CC1	REAL300020295974	1	43	-1.0	-42.28	336.10	7.26	-35.02
C1=CC(C2=NN=C(N3CCCCCC3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020295975	0	50	-1.0	-42.13	377.76	10.00	-32.13
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CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020295976	1	49	-1.0	-41.53	396.91	10.03	-31.50
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CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020295977	1	46	-1.0	-42.73	375.36	9.25	-33.48
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1=CC=CC=C1	REAL300020295978	0	43	-1.0	-42.18	356.40	9.71	-32.47
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1=CC=CC=C1	REAL300020295978	1	43	-1.0	-42.20	356.45	9.73	-32.47
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1=CC=CC=C1	REAL300020295979	0	40	-1.0	-47.46	336.79	9.00	-38.46
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1=CC=CC=C1	REAL300020295979	1	40	-1.0	-47.43	336.74	8.98	-38.45
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1=CC=CC=C1	REAL300020295980	0	47	-1.0	-43.18	384.31	11.64	-31.54
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1=CC=CC=C1	REAL300020295980	1	47	-1.0	-43.16	384.37	11.64	-31.52
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C(C1=NN=N[N-]1)C1=NN=C(N2CCCOCC2)N1CC1CC1	REAL300020295982	0	41	-1.0	-41.38	330.17	5.18	-36.20
C(C1=N[N-]N=N1)C1=NN=C(N2CCCOCC2)N1CC1CC1	REAL300020295982	1	41	-1.0	-41.39	330.11	5.16	-36.23
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CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@@H+](C2CCC2)C1	REAL300020296011	0	56	0.0	-67.89	409.86	9.89	-58.00
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C1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296017	1	52	-1.0	-42.77	418.52	7.94	-34.83
C(CC1=NN=C(N2CCOCC3(CCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296018	0	51	-1.0	-39.90	394.17	7.98	-31.92
C(CC1=NN=C(N2CCOCC3(CCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296018	1	51	-1.0	-39.96	394.23	8.00	-31.96
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCC3(CCC3)C2)N1CC1CC1	REAL300020296019	0	48	-1.0	-45.29	355.55	8.00	-37.29
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCC3(CCC3)C2)N1CC1CC1	REAL300020296019	1	48	-1.0	-45.32	355.61	8.02	-37.30
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296020	0	55	0.0	-64.01	414.13	9.61	-54.40
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296020	1	55	0.0	-66.42	412.71	9.41	-57.01
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296020	1	55	0.0	-64.03	414.18	9.64	-54.39
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296020	1	55	0.0	-66.42	412.77	9.42	-57.00
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296021	0	52	0.0	-60.64	392.29	8.80	-51.84
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296021	1	52	0.0	-62.74	391.22	8.61	-54.13
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296021	1	52	0.0	-60.67	392.35	8.82	-51.85
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296021	1	52	0.0	-62.73	391.28	8.64	-54.09
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296022	0	58	0.0	-63.03	423.83	9.71	-53.32
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296022	1	58	0.0	-59.46	419.96	9.23	-50.23
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296022	1	58	0.0	-63.04	423.88	9.72	-53.32
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296022	1	58	0.0	-59.52	420.02	9.24	-50.28
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296023	0	55	0.0	-60.80	399.59	9.37	-51.43
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296023	1	55	0.0	-56.94	396.87	8.63	-48.31
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296023	1	55	0.0	-60.81	399.64	9.40	-51.41
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296023	1	55	0.0	-56.90	396.93	8.66	-48.24
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CCOCC3)CC2)N1CC1CC1	REAL300020296024	0	57	0.0	-66.76	412.83	8.73	-58.03
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](C3CCOCC3)CC2)N1CC1CC1	REAL300020296024	1	57	0.0	-64.68	410.29	7.99	-56.69
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CCOCC3)CC2)N1CC1CC1	REAL300020296024	1	57	0.0	-66.79	412.89	8.76	-58.03
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](C3CCOCC3)CC2)N1CC1CC1	REAL300020296024	1	57	0.0	-64.68	410.33	8.01	-56.67
CON(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296025	0	41	-1.0	-42.52	343.33	8.02	-34.50
CON(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296025	1	41	-1.0	-42.48	343.38	8.01	-34.47
C(CC1=NN=C(N2CCCC2CC2CCCCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296026	0	59	-1.0	-39.97	428.71	11.34	-28.63
C(CC1=NN=C(N2CCCC2CC2CCCCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296026	1	59	-1.0	-39.96	428.77	11.35	-28.61
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2CC2CCCCC2)N1CC1CC1	REAL300020296027	0	56	-1.0	-43.35	425.12	10.66	-32.69
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2CC2CCCCC2)N1CC1CC1	REAL300020296027	1	56	-1.0	-43.38	425.18	10.69	-32.69
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCCO1	REAL300020296028	0	47	-1.0	-39.64	374.17	6.86	-32.78
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCCO1	REAL300020296028	1	47	-1.0	-39.64	374.23	6.87	-32.77
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCCO1	REAL300020296029	0	44	-1.0	-41.29	352.26	6.06	-35.23
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCCO1	REAL300020296029	1	44	-1.0	-41.30	352.31	6.08	-35.22
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCCO1	REAL300020296030	0	51	-1.0	-41.24	403.20	8.82	-32.42
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCCO1	REAL300020296030	1	51	-1.0	-41.25	403.25	8.80	-32.45
CCC1C(=O)NCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296031	0	47	-1.0	-46.85	371.36	4.10	-42.75
CCC1C(=O)NCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296031	1	47	-1.0	-46.89	371.41	4.11	-42.78
CCC1C(=O)NCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296032	0	44	-1.0	-47.52	345.82	3.23	-44.29
CCC1C(=O)NCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296032	1	44	-1.0	-47.57	345.76	3.21	-44.36
CCC1C(=O)NCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296033	0	51	-1.0	-48.85	397.85	5.96	-42.89
CCC1C(=O)NCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296033	1	51	-1.0	-48.82	397.90	5.95	-42.87
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296034	0	47	-1.0	-49.42	384.16	5.19	-44.23
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296034	1	47	-1.0	-49.45	384.21	5.21	-44.24
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296035	0	44	-1.0	-50.06	362.76	4.43	-45.63
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296035	1	44	-1.0	-50.09	362.70	4.41	-45.68
CNC(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296036	0	51	-1.0	-50.31	411.64	7.06	-43.25
CNC(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296036	1	51	-1.0	-50.28	411.68	7.03	-43.25
C1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C3CCCC23)C=C1	REAL300020296037	0	54	-1.0	-47.18	419.23	11.65	-35.53
C1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C3CCCC23)C=C1	REAL300020296037	1	54	-1.0	-47.18	419.28	11.66	-35.52
COC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296038	0	44	-1.0	-41.30	359.72	5.31	-35.99
COC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296038	1	44	-1.0	-41.30	359.78	5.33	-35.97
COC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296039	0	41	-1.0	-45.33	330.27	4.71	-40.62
COC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296039	1	41	-1.0	-45.32	330.31	4.73	-40.59
COC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296040	0	48	-1.0	-41.80	384.62	7.03	-34.77
COC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296040	1	48	-1.0	-41.76	384.67	7.03	-34.73
CC1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296041	0	46	-1.0	-40.76	360.44	7.58	-33.18
CC1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296041	1	46	-1.0	-40.77	360.49	7.60	-33.17
CC1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296042	0	43	-1.0	-44.92	339.55	6.84	-38.08
CC1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296042	1	43	-1.0	-44.93	339.50	6.82	-38.11
CC1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296043	0	50	-1.0	-41.78	391.51	9.63	-32.15
CC1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296043	1	50	-1.0	-41.72	391.54	9.62	-32.10
CCC1CC(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296044	0	49	-1.0	-40.38	380.73	8.02	-32.36
CCC1CC(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296044	1	49	-1.0	-40.38	380.79	8.03	-32.35
CCC1CC(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296045	0	46	-1.0	-44.76	355.33	7.32	-37.44
CCC1CC(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296045	1	46	-1.0	-44.75	355.29	7.31	-37.44
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296046	0	53	-1.0	-41.48	408.11	9.77	-31.71
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296046	1	53	-1.0	-41.48	408.16	9.76	-31.72
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296047	0	44	-1.0	-40.78	357.48	6.21	-34.57
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296047	1	44	-1.0	-40.82	357.53	6.22	-34.60
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296048	0	41	-1.0	-44.94	336.45	5.45	-39.49
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296048	1	41	-1.0	-44.94	336.39	5.45	-39.49
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020296049	0	48	-1.0	-43.01	373.99	7.88	-35.13
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020296049	1	48	-1.0	-42.99	374.02	7.85	-35.14
CC(C)CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296050	0	55	-1.0	-41.01	423.74	9.32	-31.69
CC(C)CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296050	1	55	-1.0	-41.01	423.80	9.34	-31.67
CC(C)CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296051	0	52	-1.0	-43.69	374.35	9.75	-33.94
CC(C)CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296051	1	52	-1.0	-43.65	374.39	9.77	-33.88
CCCC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296052	0	55	-1.0	-42.04	417.66	9.69	-32.35
CCCC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296052	1	55	-1.0	-42.08	417.72	9.70	-32.38
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296053	0	52	-1.0	-40.97	386.33	8.03	-32.94
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296053	1	52	-1.0	-41.00	386.39	8.06	-32.94
COC1=CC=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020296054	0	44	-1.0	-46.38	367.98	9.26	-37.12
COC1=CC=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020296054	1	44	-1.0	-46.36	367.93	9.24	-37.12
COC1=CC=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020296055	0	41	-1.0	-48.02	346.55	8.49	-39.53
COC1=CC=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020296055	1	41	-1.0	-48.00	346.50	8.46	-39.54
COC1=CC=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)=C1	REAL300020296056	0	48	-1.0	-48.23	397.18	11.16	-37.07
COC1=CC=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)=C1	REAL300020296056	1	48	-1.0	-48.21	397.14	11.17	-37.04
CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020296057	0	40	-1.0	-44.10	341.20	8.82	-35.28
CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020296057	1	40	-1.0	-44.12	341.14	8.80	-35.32
CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020296058	0	37	-1.0	-48.52	316.88	8.06	-40.46
CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020296058	1	37	-1.0	-48.48	316.82	8.05	-40.43
CN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)=N1	REAL300020296059	0	44	-1.0	-45.87	366.41	10.63	-35.24
CN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)=N1	REAL300020296059	1	44	-1.0	-45.89	366.36	10.65	-35.24
CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020296060	0	40	-1.0	-48.19	338.29	7.75	-40.44
CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020296060	1	40	-1.0	-48.16	338.23	7.73	-40.43
CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020296061	0	37	-1.0	-49.31	319.96	7.08	-42.23
CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020296061	1	37	-1.0	-49.29	319.90	7.05	-42.24
CN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C=N1	REAL300020296062	0	44	-1.0	-49.41	370.80	9.79	-39.62
CN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C=N1	REAL300020296062	1	44	-1.0	-49.42	370.75	9.80	-39.62
CC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296063	0	49	-1.0	-41.76	380.99	8.07	-33.69
CC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296063	1	49	-1.0	-41.79	381.05	8.08	-33.71
CC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296064	0	46	-1.0	-47.30	360.14	7.33	-39.97
CC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296064	1	46	-1.0	-47.29	360.08	7.31	-39.98
CC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296065	0	53	-1.0	-40.99	392.28	9.19	-31.80
CC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296065	1	53	-1.0	-40.90	392.32	9.18	-31.72
COC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296066	0	50	-1.0	-47.20	411.97	9.53	-37.67
COC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296066	1	50	-1.0	-47.24	412.02	9.55	-37.69
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(OC3CCCCC3)CC2)N1CC1CC1	REAL300020296067	0	57	-1.0	-43.60	435.78	9.58	-34.02
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(OC3CCCCC3)CC2)N1CC1CC1	REAL300020296067	1	57	-1.0	-43.60	435.83	9.60	-34.00
CC(C)(C)OC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296068	0	55	-1.0	-48.08	426.98	9.26	-38.82
CC(C)(C)OC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296068	1	55	-1.0	-48.09	427.04	9.28	-38.81
O=C1CO[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@H]2N1	REAL300020296069	0	49	-1.0	-42.54	397.85	3.85	-38.69
O=C1CO[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@H]2N1	REAL300020296069	1	49	-1.0	-42.55	397.91	3.87	-38.68
O=C1CO[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]2N1	REAL300020296070	0	46	-1.0	-45.83	369.95	3.20	-42.63
O=C1CO[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]2N1	REAL300020296070	1	46	-1.0	-45.88	369.97	3.21	-42.67
CON1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296071	0	52	-1.0	-40.71	407.48	5.42	-35.29
CON1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296071	1	52	-1.0	-40.68	407.53	5.43	-35.25
CON1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296072	0	49	-1.0	-43.07	392.55	5.22	-37.85
CON1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296072	1	49	-1.0	-43.07	392.60	5.25	-37.82
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296073	0	55	-1.0	-43.33	442.68	9.54	-33.79
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296073	1	55	-1.0	-43.28	442.63	9.52	-33.76
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296074	0	52	-1.0	-45.11	419.12	8.29	-36.82
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296074	1	52	-1.0	-45.10	419.06	8.26	-36.84
CCC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020296075	0	49	-1.0	-41.38	403.40	11.30	-30.08
CCC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020296075	1	49	-1.0	-41.38	403.46	11.32	-30.06
CCC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020296076	0	46	-1.0	-46.90	379.68	10.43	-36.47
CCC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020296076	1	46	-1.0	-46.90	379.63	10.41	-36.49
C(CC1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296077	0	50	-1.0	-39.79	384.44	9.37	-30.42
C(CC1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296077	1	50	-1.0	-39.77	384.49	9.39	-30.38
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1CC1CC1	REAL300020296078	0	47	-1.0	-43.21	361.20	8.39	-34.82
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1CC1CC1	REAL300020296078	1	47	-1.0	-43.19	361.26	8.41	-34.78
C1=CC(C2=NN=C(N3C[C@@H]4CCCC[C@@H]4C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296079	0	54	-1.0	-42.83	410.22	11.11	-31.72
C1=CC(C2=NN=C(N3C[C@@H]4CCCC[C@@H]4C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296079	1	54	-1.0	-42.81	410.23	11.09	-31.72
COC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296080	0	47	-1.0	-43.12	362.71	6.10	-37.02
COC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296080	1	47	-1.0	-43.11	362.77	6.11	-37.00
COC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296081	0	44	-1.0	-45.53	345.09	5.45	-40.08
COC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296081	1	44	-1.0	-45.54	345.15	5.48	-40.06
COC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296082	0	51	-1.0	-43.44	390.56	7.89	-35.55
COC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296082	1	51	-1.0	-43.47	390.59	7.88	-35.59
FC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296083	0	44	-1.0	-40.95	368.13	9.08	-31.87
FC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296083	1	44	-1.0	-40.97	368.19	9.10	-31.87
FC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296084	0	41	-1.0	-43.37	341.21	8.04	-35.33
FC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296084	1	41	-1.0	-43.38	341.15	8.02	-35.36
FC1(F)C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC21	REAL300020296085	0	44	-1.0	-40.97	365.53	9.22	-31.75
FC1(F)C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC21	REAL300020296085	1	44	-1.0	-41.01	365.59	9.24	-31.77
FC1(F)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC21	REAL300020296086	0	41	-1.0	-45.85	340.76	8.43	-37.42
FC1(F)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC21	REAL300020296086	1	41	-1.0	-45.89	340.82	8.45	-37.44
FC1(F)C2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CC3CC3)CC21	REAL300020296087	0	48	-1.0	-42.79	394.96	11.24	-31.55
FC1(F)C2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CC3CC3)CC21	REAL300020296087	1	48	-1.0	-42.76	394.95	11.24	-31.52
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CC(C)(C)C1	REAL300020296088	0	49	-1.0	-40.08	392.31	8.92	-31.16
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CC(C)(C)C1	REAL300020296088	1	49	-1.0	-40.07	392.37	8.93	-31.14
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC(C)(C)C1	REAL300020296089	0	46	-1.0	-45.59	359.26	8.39	-37.20
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC(C)(C)C1	REAL300020296089	1	46	-1.0	-45.61	359.28	8.40	-37.21
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CC(C)(C)C1	REAL300020296090	0	53	-1.0	-41.60	418.18	10.65	-30.95
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CC(C)(C)C1	REAL300020296090	1	53	-1.0	-41.50	418.22	10.63	-30.87
ClC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296091	0	47	-1.0	-43.00	388.70	9.18	-33.82
ClC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296091	1	47	-1.0	-43.03	388.76	9.19	-33.84
ClC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296092	0	44	-1.0	-47.21	370.32	8.75	-38.46
ClC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296092	1	44	-1.0	-47.18	370.38	8.78	-38.40
C(CC1=NN=C(N2CCC(OC3CCOC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296093	0	55	-1.0	-39.98	437.90	7.19	-32.79
C(CC1=NN=C(N2CCC(OC3CCOC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296093	1	55	-1.0	-40.01	437.96	7.21	-32.80
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(OC3CCOC3)CC2)N1CC1CC1	REAL300020296094	0	52	-1.0	-43.12	395.79	6.56	-36.56
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(OC3CCOC3)CC2)N1CC1CC1	REAL300020296094	1	52	-1.0	-43.13	395.85	6.58	-36.55
C(CC1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1CC1CC1)C1=N[N-]N=N1	REAL300020296095	0	48	-1.0	-42.54	369.80	7.25	-35.29
C(CC1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1CC1CC1)C1=NN=N[N-]1	REAL300020296095	1	48	-1.0	-42.53	369.86	7.26	-35.27
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1CC1CC1	REAL300020296096	0	45	-1.0	-46.73	338.85	6.12	-40.61
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1CC1CC1	REAL300020296096	1	45	-1.0	-46.74	338.88	6.13	-40.61
C1=CC(C2=NN=C(N3CCC[C@@H]4COC[C@@H]43)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296097	0	52	-1.0	-43.18	404.10	8.24	-34.94
C1=CC(C2=NN=C(N3CCC[C@@H]4COC[C@@H]43)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296097	1	52	-1.0	-43.08	404.14	8.23	-34.85
NC(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020296098	0	48	-1.0	-49.08	392.69	3.14	-45.94
NC(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020296098	1	48	-1.0	-49.14	392.75	3.16	-45.98
NC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020296099	0	45	-1.0	-48.17	373.42	1.38	-46.79
NC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020296099	1	45	-1.0	-48.18	373.47	1.40	-46.78
CC1C(CO)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296100	0	50	-1.0	-40.79	394.62	4.55	-36.24
CC1C(CO)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296100	1	50	-1.0	-40.81	394.68	4.57	-36.24
CC1C(CO)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296101	0	47	-1.0	-43.43	369.03	4.18	-39.25
CC1C(CO)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296101	1	47	-1.0	-43.50	369.09	4.21	-39.29
CC1C(CO)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296102	0	54	-1.0	-42.22	414.08	6.82	-35.40
CC1C(CO)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296102	1	54	-1.0	-42.22	414.12	6.81	-35.41
CC(=O)C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020296103	0	49	-1.0	-46.54	395.55	9.07	-37.47
CC(=O)C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020296103	1	49	-1.0	-46.51	395.62	9.09	-37.42
CC(=O)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020296104	0	46	-1.0	-50.18	378.58	8.45	-41.73
CC(=O)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020296104	1	46	-1.0	-50.19	378.52	8.43	-41.76
CC(C)(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1(C)C	REAL300020296105	0	61	-1.0	-40.09	446.99	10.34	-29.75
CC(C)(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1(C)C	REAL300020296105	1	61	-1.0	-40.08	447.04	10.36	-29.72
CC(C)(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1(C)C	REAL300020296106	0	58	-1.0	-44.15	422.35	9.56	-34.59
CC(C)(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1(C)C	REAL300020296106	1	58	-1.0	-44.19	422.41	9.57	-34.62
CC(C)OCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296107	0	57	-1.0	-45.20	446.24	7.96	-37.24
CC(C)OCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296107	1	57	-1.0	-45.18	446.29	7.98	-37.20
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CC(C)(C)C1	REAL300020296108	0	52	-1.0	-40.46	412.52	9.45	-31.01
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CC(C)(C)C1	REAL300020296108	1	52	-1.0	-40.47	412.58	9.47	-31.00
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC(C)(C)C1	REAL300020296109	0	49	-1.0	-44.45	380.61	8.11	-36.34
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC(C)(C)C1	REAL300020296109	1	49	-1.0	-44.47	380.57	8.15	-36.32
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CC(C)(C)C1	REAL300020296110	0	56	-1.0	-42.06	439.90	11.25	-30.81
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CC(C)(C)C1	REAL300020296110	1	56	-1.0	-42.01	439.93	11.24	-30.77
C(CC1=NN=C(N2CCCC3(CCSC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296111	0	51	-1.0	-44.72	393.56	9.74	-34.98
C(CC1=NN=C(N2CCCC3(CCSC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296111	1	51	-1.0	-44.77	393.62	9.75	-35.02
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCSC3)C2)N1CC1CC1	REAL300020296112	0	48	-1.0	-44.59	381.83	9.56	-35.03
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCSC3)C2)N1CC1CC1	REAL300020296112	1	48	-1.0	-44.60	381.88	9.58	-35.02
COC1=CC=CC([C@H]2C[C@H](N(C)C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020296113	0	54	-1.0	-49.89	433.67	9.51	-40.38
COC1=CC=CC([C@H]2C[C@H](N(C)C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020296113	1	54	-1.0	-49.90	433.73	9.52	-40.38
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=NC=N1	REAL300020296114	0	51	-1.0	-44.13	412.30	9.29	-34.84
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=NC=N1	REAL300020296114	1	51	-1.0	-44.17	412.36	9.31	-34.86
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=NC=N1	REAL300020296115	0	48	-1.0	-46.98	374.90	8.60	-38.38
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=NC=N1	REAL300020296115	1	48	-1.0	-46.97	374.94	8.61	-38.36
C1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC23CCC3)C=C1	REAL300020296116	0	54	-1.0	-46.10	417.06	11.15	-34.95
C1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC23CCC3)C=C1	REAL300020296116	1	54	-1.0	-46.11	417.11	11.17	-34.94
CC(C1CC1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296117	0	46	-1.0	-39.10	360.01	8.29	-30.81
CC(C1CC1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296117	1	46	-1.0	-39.04	360.06	8.30	-30.74
CC(C1CC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296118	0	43	-1.0	-41.65	352.09	7.03	-34.62
CC(C1CC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296118	1	43	-1.0	-41.65	352.03	7.00	-34.65
CC(C1CC1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296119	0	50	-1.0	-41.37	386.15	10.40	-30.97
CC(C1CC1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296119	1	50	-1.0	-41.30	386.17	10.39	-30.91
FCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296120	0	44	-1.0	-40.90	361.14	6.29	-34.61
FCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296120	1	44	-1.0	-40.90	361.20	6.30	-34.60
FCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296121	0	41	-1.0	-42.02	341.87	5.62	-36.40
FCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296121	1	41	-1.0	-42.02	341.93	5.64	-36.38
FCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020296122	0	48	-1.0	-42.89	386.23	8.23	-34.66
FCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020296122	1	48	-1.0	-42.86	386.26	8.22	-34.64
COCC(COC)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296123	0	56	-1.0	-45.42	440.12	5.35	-40.07
COCC(COC)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296123	1	56	-1.0	-45.42	440.18	5.38	-40.04
COCC(COC)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296123	1	57	0.0	-66.54	429.89	7.88	-58.66
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020296124	0	56	0.0	-66.57	424.03	11.04	-55.53
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300020296124	1	56	0.0	-65.60	416.08	11.22	-54.38
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCN1CC1=CC=CC=C1	REAL300020296124	1	55	-1.0	-43.45	422.94	8.19	-35.26
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1CC1=CC=CC=C1	REAL300020296124	1	55	-1.0	-43.44	422.99	8.21	-35.23
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296125	0	53	-1.0	-42.58	424.97	11.93	-30.65
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296125	1	53	-1.0	-42.58	425.03	11.95	-30.63
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296126	0	50	-1.0	-47.27	399.38	11.10	-36.17
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296126	1	50	-1.0	-47.31	399.43	11.11	-36.20
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCN(CC(F)(F)F)CC1	REAL300020296127	0	51	-1.0	-42.45	408.10	6.87	-35.58
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCN(CC(F)(F)F)CC1	REAL300020296127	1	51	-1.0	-42.42	408.15	6.89	-35.53
O=C1CCCN1C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296128	0	57	-1.0	-45.13	442.33	9.22	-35.91
O=C1CCCN1C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296128	1	57	-1.0	-45.17	442.38	9.23	-35.94
O=C1CCCN1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296129	0	54	-1.0	-50.34	421.13	8.45	-41.89
O=C1CCCN1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296129	1	54	-1.0	-50.35	421.20	8.47	-41.88
C(CC1=NN=C(N2CCC(C3CCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296130	0	50	-1.0	-39.93	397.24	9.62	-30.31
C(CC1=NN=C(N2CCC(C3CCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296130	1	50	-1.0	-39.94	397.30	9.64	-30.30
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCC3)C2)N1CC1CC1	REAL300020296131	0	47	-1.0	-44.71	365.15	8.95	-35.76
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCC3)C2)N1CC1CC1	REAL300020296131	1	47	-1.0	-44.72	365.21	8.96	-35.76
C1=CC(C2=NN=C(N3CCC(C4CCC4)C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296132	0	54	-1.0	-40.79	426.57	11.52	-29.27
C1=CC(C2=NN=C(N3CCC(C4CCC4)C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296132	1	54	-1.0	-40.79	426.59	11.51	-29.28
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1C	REAL300020296133	0	52	-1.0	-40.87	410.99	10.62	-30.25
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1C	REAL300020296133	1	52	-1.0	-40.85	411.05	10.64	-30.21
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1C	REAL300020296134	0	49	-1.0	-43.85	398.40	9.79	-34.06
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1C	REAL300020296134	1	49	-1.0	-43.82	398.34	9.76	-34.06
CNC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296135	0	52	-1.0	-47.44	422.36	4.73	-42.71
CNC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296135	1	52	-1.0	-47.44	422.41	4.74	-42.70
CNC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296136	0	49	-1.0	-48.61	390.79	4.00	-44.61
CNC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296136	1	49	-1.0	-48.60	390.83	4.03	-44.57
CCOC1=CC=CC(CN(CCO)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020296137	0	54	-1.0	-46.87	425.27	5.92	-40.95
CCOC1=CC=CC(CN(CCO)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020296137	1	54	-1.0	-46.88	425.33	5.93	-40.95
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020296138	0	48	-1.0	-41.47	398.45	8.07	-33.40
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020296138	1	48	-1.0	-41.51	398.51	8.08	-33.43
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020296139	0	45	-1.0	-43.20	379.26	7.39	-35.81
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020296139	1	45	-1.0	-43.18	379.20	7.37	-35.81
CC(C)(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296140	0	55	-1.0	-40.56	411.04	9.73	-30.83
CC(C)(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296140	1	55	-1.0	-40.58	411.09	9.74	-30.84
CC(C)(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296141	0	52	-1.0	-42.48	391.36	9.17	-33.31
CC(C)(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296141	1	52	-1.0	-42.50	391.41	9.20	-33.30
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1Cl	REAL300020296142	0	47	-1.0	-45.09	405.44	8.42	-36.67
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1Cl	REAL300020296142	1	47	-1.0	-45.12	405.51	8.43	-36.69
COC(=O)C1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296143	0	52	-1.0	-44.90	417.78	9.10	-35.80
COC(=O)C1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296143	1	52	-1.0	-44.92	417.84	9.11	-35.81
COC(=O)C1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296144	0	49	-1.0	-47.66	391.69	8.49	-39.17
COC(=O)C1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296144	1	49	-1.0	-47.68	391.75	8.52	-39.16
COCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296145	0	49	-1.0	-42.49	390.23	7.10	-35.39
COCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296145	1	49	-1.0	-42.47	390.29	7.11	-35.36
COCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296146	0	46	-1.0	-43.24	374.40	6.43	-36.81
COCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296146	1	46	-1.0	-43.22	374.46	6.45	-36.77
COCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296147	0	53	-1.0	-44.22	414.29	8.89	-35.33
COCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296147	1	53	-1.0	-44.22	414.33	8.88	-35.34
C(CC1=NN=C(N2CCC(OC3CCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296148	0	54	-1.0	-39.43	424.21	9.27	-30.16
C(CC1=NN=C(N2CCC(OC3CCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296148	1	54	-1.0	-39.45	424.27	9.29	-30.16
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(OC3CCC3)CC2)N1CC1CC1	REAL300020296149	0	51	-1.0	-43.71	396.67	8.60	-35.11
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(OC3CCC3)CC2)N1CC1CC1	REAL300020296149	1	51	-1.0	-43.71	396.69	8.62	-35.09
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296150	0	47	-1.0	-43.60	383.67	6.69	-36.91
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296150	1	47	-1.0	-43.56	383.73	6.71	-36.85
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCCC1C(C)(C)C	REAL300020296151	0	58	-1.0	-41.56	402.39	10.98	-30.58
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCCC1C(C)(C)C	REAL300020296151	1	58	-1.0	-41.55	402.44	10.99	-30.56
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCCC1C(C)(C)C	REAL300020296152	0	55	-1.0	-42.98	381.72	10.02	-32.96
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCCC1C(C)(C)C	REAL300020296152	1	55	-1.0	-42.98	381.78	10.05	-32.93
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C(C)C1C	REAL300020296153	0	49	-1.0	-40.26	376.79	8.41	-31.85
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C(C)C1C	REAL300020296153	1	49	-1.0	-40.28	376.84	8.42	-31.86
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C(C)C1C	REAL300020296154	0	46	-1.0	-43.01	355.63	7.68	-35.33
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C(C)C1C	REAL300020296154	1	46	-1.0	-42.96	355.67	7.71	-35.25
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C(C)C1C	REAL300020296155	0	53	-1.0	-41.40	398.34	9.46	-31.94
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C(C)C1C	REAL300020296155	1	53	-1.0	-41.43	398.38	9.45	-31.98
FC(F)(F)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296156	0	49	-1.0	-40.31	394.55	9.35	-30.96
FC(F)(F)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296156	1	49	-1.0	-40.33	394.61	9.36	-30.97
FC(F)(F)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296157	0	46	-1.0	-41.26	376.34	8.67	-32.59
FC(F)(F)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296157	1	46	-1.0	-41.25	376.40	8.70	-32.55
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(CC)O1	REAL300020296158	0	53	-1.0	-40.08	420.07	8.62	-31.46
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(CC)O1	REAL300020296158	1	53	-1.0	-40.11	420.12	8.64	-31.47
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(CC)O1	REAL300020296159	0	50	-1.0	-42.82	391.11	7.69	-35.13
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(CC)O1	REAL300020296159	1	50	-1.0	-42.80	391.15	7.71	-35.09
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296160	0	53	-1.0	-41.75	432.74	8.11	-33.64
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296160	1	53	-1.0	-41.75	432.80	8.13	-33.62
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296161	0	50	-1.0	-42.40	416.67	7.44	-34.96
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296161	1	50	-1.0	-42.36	416.73	7.46	-34.90
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020296162	0	50	-1.0	-40.81	396.91	10.55	-30.26
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020296162	1	50	-1.0	-40.82	396.97	10.56	-30.26
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020296163	0	47	-1.0	-43.84	363.55	9.32	-34.52
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020296163	1	47	-1.0	-43.84	363.53	9.30	-34.54
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296164	0	47	-1.0	-47.07	381.57	5.47	-41.60
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296164	1	47	-1.0	-47.08	381.63	5.49	-41.59
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296165	0	44	-1.0	-49.82	360.06	4.69	-45.13
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296165	1	44	-1.0	-49.81	360.12	4.71	-45.10
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C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)[C@H](C)C1	REAL300020296179	0	46	-1.0	-44.57	364.74	7.31	-37.26
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)[C@H](C)C1	REAL300020296179	1	46	-1.0	-44.58	364.79	7.32	-37.26
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C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)[C@H](C)C1	REAL300020296180	1	53	-1.0	-41.36	408.21	10.54	-30.82
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C1=CC=C(O[C@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020296215	0	48	-1.0	-47.32	385.61	8.80	-38.52
C1=CC=C(O[C@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020296215	1	48	-1.0	-47.35	385.67	8.82	-38.53
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296216	0	59	0.0	-62.19	436.47	8.44	-53.75
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296216	1	59	0.0	-63.30	436.50	8.63	-54.67
COCCN1[C@H](C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1C	REAL300020296216	1	58	-1.0	-40.54	439.30	6.35	-34.19
COCCN1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296216	1	58	-1.0	-40.58	439.36	6.36	-34.22
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296217	0	56	0.0	-60.27	415.52	7.96	-52.31
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296217	1	56	0.0	-63.71	417.52	7.05	-56.66
COCCN1[C@H](C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1C	REAL300020296217	1	55	-1.0	-43.55	419.37	5.61	-37.94
COCCN1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296217	1	55	-1.0	-43.49	419.43	5.64	-37.85
CC(=O)NCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296218	0	46	-1.0	-44.15	380.03	4.93	-39.22
CC(=O)NCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296218	1	46	-1.0	-44.13	380.09	4.95	-39.18
CC(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296219	0	43	-1.0	-44.91	358.24	4.15	-40.76
CC(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296219	1	43	-1.0	-44.89	358.29	4.18	-40.71
CC(=O)NCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296220	0	50	-1.0	-46.54	398.41	6.61	-39.93
CC(=O)NCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296220	1	50	-1.0	-46.57	398.45	6.60	-39.97
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C	REAL300020296221	0	49	-1.0	-43.43	391.27	7.96	-35.47
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C	REAL300020296221	1	49	-1.0	-43.42	391.35	7.98	-35.44
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C	REAL300020296222	0	46	-1.0	-47.73	372.33	7.50	-40.23
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C	REAL300020296222	1	46	-1.0	-47.73	372.39	7.51	-40.22
FC1=CC2=C(C=C1F)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296223	0	44	-1.0	-40.43	371.20	8.98	-31.45
FC1=CC2=C(C=C1F)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296223	1	44	-1.0	-40.46	371.26	8.99	-31.47
FC1=CC2=C(C=C1F)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296224	0	41	-1.0	-40.12	353.59	8.35	-31.77
FC1=CC2=C(C=C1F)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296224	1	41	-1.0	-40.10	353.53	8.33	-31.77
COC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020296225	0	48	-1.0	-42.08	384.53	7.97	-34.11
COC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020296225	1	48	-1.0	-42.13	384.60	7.99	-34.14
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020296226	0	45	-1.0	-45.14	366.78	7.34	-37.80
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020296226	1	45	-1.0	-45.15	366.72	7.32	-37.83
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N#CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020296227	1	45	-1.0	-43.03	375.96	9.08	-33.95
N#CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020296228	0	42	-1.0	-45.65	358.14	8.43	-37.22
N#CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020296228	1	42	-1.0	-45.59	358.08	8.41	-37.18
CC(=O)NC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296229	0	51	-1.0	-48.32	416.52	8.14	-40.18
CC(=O)NC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296229	1	51	-1.0	-48.37	416.58	8.15	-40.22
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296230	0	45	-1.0	-40.90	374.36	8.79	-32.11
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296230	1	45	-1.0	-40.92	374.42	8.81	-32.11
C#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296231	0	42	-1.0	-45.97	351.61	8.01	-37.96
C#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296231	1	42	-1.0	-45.95	351.55	8.00	-37.95
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296232	0	49	-1.0	-42.59	395.85	10.70	-31.89
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296232	1	49	-1.0	-42.60	395.92	10.68	-31.92
CC1=CN=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)N=C1	REAL300020296233	0	52	-1.0	-45.69	428.36	5.74	-39.95
CC1=CN=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)N=C1	REAL300020296233	1	52	-1.0	-45.72	428.30	5.72	-40.00
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C1CC1	REAL300020296234	0	53	-1.0	-43.37	422.20	9.56	-33.81
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C1CC1	REAL300020296234	1	53	-1.0	-43.38	422.25	9.58	-33.80
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C1CC1	REAL300020296235	0	50	-1.0	-46.12	394.27	8.91	-37.21
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C1CC1	REAL300020296235	1	50	-1.0	-46.09	394.31	8.92	-37.17
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296236	0	58	0.0	-61.11	427.64	9.43	-51.68
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296236	1	58	0.0	-61.10	427.58	9.42	-51.68
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296237	0	55	0.0	-63.67	395.08	8.95	-54.72
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296237	1	55	0.0	-63.63	395.14	8.97	-54.66
CC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020296238	0	44	-1.0	-39.19	376.13	5.01	-34.18
CC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020296238	1	44	-1.0	-39.23	376.19	5.03	-34.20
CC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020296239	0	41	-1.0	-40.47	355.13	4.43	-36.04
CC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020296239	1	41	-1.0	-40.49	355.19	4.46	-36.03
CC1=NOC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)=N1	REAL300020296240	0	48	-1.0	-41.81	392.84	7.19	-34.62
CC1=NOC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)=N1	REAL300020296240	1	48	-1.0	-41.77	392.88	7.18	-34.59
C(CC1=NN=C(N2CCCC(OC3CCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296241	0	54	-1.0	-42.47	419.42	9.15	-33.32
C(CC1=NN=C(N2CCCC(OC3CCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296241	1	54	-1.0	-42.53	419.48	9.16	-33.37
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(OC3CCC3)C2)N1CC1CC1	REAL300020296242	0	51	-1.0	-45.68	390.00	8.55	-37.13
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(OC3CCC3)C2)N1CC1CC1	REAL300020296242	1	51	-1.0	-45.70	390.06	8.56	-37.14
CN1C=NN=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296243	0	51	-1.0	-46.28	412.01	9.54	-36.74
CN1C=NN=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296243	1	51	-1.0	-46.25	411.95	9.52	-36.73
CN1C=NN=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296244	0	48	-1.0	-46.71	392.17	8.81	-37.90
CN1C=NN=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296244	1	48	-1.0	-46.73	392.10	8.79	-37.94
C(CC1=NN=C(N2CCCC2CC2CCCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296245	0	56	-1.0	-41.60	428.47	10.84	-30.76
C(CC1=NN=C(N2CCCC2CC2CCCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296245	1	56	-1.0	-41.60	428.53	10.86	-30.74
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2CC2CCCC2)N1CC1CC1	REAL300020296246	0	53	-1.0	-43.25	406.28	9.11	-34.14
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2CC2CCCC2)N1CC1CC1	REAL300020296246	1	53	-1.0	-43.24	406.34	9.13	-34.11
COC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296247	0	51	-1.0	-43.98	399.92	4.60	-39.38
COC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296247	1	51	-1.0	-44.01	399.97	4.61	-39.40
COC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296248	0	48	-1.0	-46.92	381.23	3.63	-43.29
COC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296248	1	48	-1.0	-46.92	381.29	3.65	-43.27
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2(CCCCC2)O1	REAL300020296249	0	57	-1.0	-40.06	434.16	9.60	-30.46
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2(CCCCC2)O1	REAL300020296249	1	57	-1.0	-40.01	434.22	9.61	-30.40
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2(CCCCC2)O1	REAL300020296250	0	54	-1.0	-42.92	408.46	8.99	-33.93
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2(CCCCC2)O1	REAL300020296250	1	54	-1.0	-42.92	408.54	9.00	-33.92
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296251	0	55	0.0	-64.71	421.84	9.53	-55.18
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296251	1	55	0.0	-64.73	421.78	9.51	-55.22
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296252	0	52	0.0	-61.08	397.62	8.95	-52.13
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296252	1	52	0.0	-61.13	397.68	8.97	-52.16
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCC2=CC=C(F)C=C21	REAL300020296253	0	53	-1.0	-39.41	412.39	11.10	-28.31
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCC2=CC=C(F)C=C21	REAL300020296253	1	53	-1.0	-39.38	412.45	11.12	-28.26
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCC2=CC=C(F)C=C21	REAL300020296254	0	50	-1.0	-43.48	383.18	9.16	-34.32
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCC2=CC=C(F)C=C21	REAL300020296254	1	50	-1.0	-43.44	383.24	9.18	-34.26
COCCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296255	0	56	-1.0	-45.76	449.91	4.59	-41.17
COCCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296255	1	56	-1.0	-45.74	449.98	4.62	-41.12
COCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296255	1	57	0.0	-64.58	450.96	6.86	-57.72
FC1(F)CC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296256	0	44	-1.0	-41.91	369.58	8.45	-33.46
FC1(F)CC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296256	1	44	-1.0	-41.93	369.64	8.46	-33.47
FC1(F)CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296257	0	41	-1.0	-46.71	342.58	7.82	-38.89
FC1(F)CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296257	1	41	-1.0	-46.69	342.63	7.83	-38.86
FC1(F)CC12CCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CC1CC1)C2	REAL300020296258	0	48	-1.0	-43.74	383.96	9.65	-34.09
FC1(F)CC12CCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CC1CC1)C2	REAL300020296258	1	48	-1.0	-43.71	383.99	9.64	-34.07
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N#CC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296259	1	45	-1.0	-46.40	379.34	9.17	-37.23
N#CC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296260	0	42	-1.0	-46.61	360.18	8.57	-38.04
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C1=CC=C(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020296261	0	55	-1.0	-41.04	435.83	9.06	-31.98
C1=CC=C(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296261	1	56	0.0	-68.60	442.90	11.08	-57.52
C1=CC=C(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296261	1	55	-1.0	-41.00	435.89	9.08	-31.92
C1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020296262	0	52	-1.0	-42.78	418.46	7.92	-34.86
C1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296262	1	53	0.0	-71.68	410.84	10.68	-61.00
C1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296262	1	52	-1.0	-42.77	418.52	7.94	-34.83
FC1(F)C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC21	REAL300020296263	0	41	-1.0	-42.34	343.37	7.66	-34.68
FC1(F)C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC21	REAL300020296263	1	41	-1.0	-42.40	343.42	7.68	-34.72
FC1(F)C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC21	REAL300020296264	0	38	-1.0	-44.45	323.04	7.04	-37.41
FC1(F)C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC21	REAL300020296264	1	38	-1.0	-44.47	323.09	7.07	-37.40
FC1(F)C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CC3CC3)CC21	REAL300020296265	0	45	-1.0	-44.39	369.55	9.66	-34.73
FC1(F)C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CC3CC3)CC21	REAL300020296265	1	45	-1.0	-44.37	369.58	9.64	-34.73
FC1(F)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296266	0	43	-1.0	-39.82	349.52	7.96	-31.86
FC1(F)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296266	1	43	-1.0	-39.78	349.57	7.98	-31.80
FC1(F)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296267	0	40	-1.0	-42.62	336.59	7.29	-35.33
FC1(F)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296267	1	40	-1.0	-42.63	336.65	7.31	-35.32
FC1(F)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296268	0	47	-1.0	-41.64	373.76	9.77	-31.87
FC1(F)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296268	1	47	-1.0	-41.57	373.80	9.76	-31.81
FC1(F)CC12CCCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296269	0	47	-1.0	-42.71	381.32	9.22	-33.49
FC1(F)CC12CCCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296269	1	47	-1.0	-42.73	381.38	9.23	-33.50
FC1(F)CC12CCCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296270	0	44	-1.0	-45.54	351.92	8.62	-36.92
FC1(F)CC12CCCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296270	1	44	-1.0	-45.49	351.97	8.63	-36.86
CCN1C=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C(C)C)C=N1	REAL300020296271	0	55	-1.0	-42.56	430.78	9.09	-33.47
CCN1C=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C(C)C)C=N1	REAL300020296271	1	55	-1.0	-42.55	430.72	9.08	-33.47
CCN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C(C)C)C=N1	REAL300020296272	0	52	-1.0	-46.52	410.80	7.91	-38.61
CCN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C(C)C)C=N1	REAL300020296272	1	52	-1.0	-46.48	410.75	7.89	-38.59
CNC(=O)C1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296273	0	47	-1.0	-51.80	390.47	5.40	-46.40
CNC(=O)C1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296273	1	47	-1.0	-51.86	390.53	5.43	-46.43
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H](C)O1	REAL300020296274	0	50	-1.0	-44.02	414.90	7.72	-36.30
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020296274	1	50	-1.0	-44.02	414.96	7.74	-36.28
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H](C)O1	REAL300020296275	0	47	-1.0	-45.42	393.40	6.94	-38.48
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020296275	1	47	-1.0	-45.46	393.46	6.96	-38.50
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2(CCC2)O1	REAL300020296276	0	51	-1.0	-40.03	405.47	8.18	-31.85
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2(CCC2)O1	REAL300020296276	1	51	-1.0	-40.04	405.53	8.20	-31.84
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2(CCC2)O1	REAL300020296277	0	48	-1.0	-44.38	382.64	7.38	-37.00
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2(CCC2)O1	REAL300020296277	1	48	-1.0	-44.38	382.70	7.39	-36.99
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCC2=CC=C(Cl)C=C21	REAL300020296278	0	50	-1.0	-42.94	393.51	9.61	-33.33
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCC2=CC=C(Cl)C=C21	REAL300020296278	1	50	-1.0	-42.97	393.57	9.63	-33.34
CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296279	0	50	-1.0	-38.88	402.05	7.71	-31.17
CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296279	1	50	-1.0	-38.89	402.11	7.72	-31.17
CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296280	0	47	-1.0	-42.07	374.13	7.05	-35.02
CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296280	1	47	-1.0	-42.09	374.18	7.07	-35.02
CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020296281	0	54	-1.0	-41.57	420.87	9.75	-31.82
CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020296281	1	54	-1.0	-41.58	420.92	9.75	-31.83
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)N=C1	REAL300020296282	0	53	-1.0	-46.98	409.49	8.04	-38.94
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)N=C1	REAL300020296282	1	53	-1.0	-47.01	409.53	8.05	-38.96
COC1=CC=C(N(C)CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020296283	0	55	-1.0	-45.33	438.84	8.79	-36.54
COC1=CC=C(N(C)CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020296283	1	55	-1.0	-45.31	438.90	8.81	-36.50
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCCOC1	REAL300020296284	0	50	-1.0	-43.14	389.03	5.96	-37.18
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCCOC1	REAL300020296284	1	50	-1.0	-43.15	389.09	5.97	-37.18
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCCOC1	REAL300020296285	0	47	-1.0	-48.04	353.51	6.43	-41.61
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCCOC1	REAL300020296285	1	47	-1.0	-48.06	353.56	6.44	-41.62
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CCCOC1	REAL300020296286	0	54	-1.0	-43.59	418.79	8.52	-35.07
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CCCOC1	REAL300020296286	1	54	-1.0	-43.53	418.83	8.52	-35.01
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)OC2=C(C)C=CC=C12	REAL300020296287	0	52	-1.0	-42.68	425.58	10.16	-32.52
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)OC2=C(C)C=CC=C12	REAL300020296287	1	52	-1.0	-42.69	425.64	10.19	-32.50
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2(CCCC2)O1	REAL300020296288	0	54	-1.0	-40.02	417.93	8.90	-31.12
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2(CCCC2)O1	REAL300020296288	1	54	-1.0	-39.97	417.99	8.91	-31.06
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2(CCCC2)O1	REAL300020296289	0	51	-1.0	-41.75	396.40	8.12	-33.63
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2(CCCC2)O1	REAL300020296289	1	51	-1.0	-41.76	396.46	8.15	-33.61
CC(C)OC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296290	0	53	-1.0	-41.95	417.43	8.53	-33.42
CC(C)OC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296290	1	53	-1.0	-41.93	417.49	8.55	-33.38
CC(C)OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296291	0	50	-1.0	-43.23	398.54	7.85	-35.38
CC(C)OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296291	1	50	-1.0	-43.20	398.60	7.88	-35.32
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCC2=CC=CC=C21	REAL300020296292	0	53	-1.0	-41.46	370.98	8.03	-33.43
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCC2=CC=CC=C21	REAL300020296292	1	53	-1.0	-41.42	371.04	8.04	-33.38
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCC2=CC=CC=C21	REAL300020296293	0	50	-1.0	-44.21	364.01	7.78	-36.43
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCC2=CC=CC=C21	REAL300020296293	1	50	-1.0	-44.21	363.95	7.75	-36.46
O=C1N[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC[C@H]2CO1	REAL300020296294	0	49	-1.0	-47.61	392.82	5.20	-42.41
O=C1N[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC[C@H]2CO1	REAL300020296294	1	49	-1.0	-47.62	392.88	5.21	-42.41
O=C1N[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC[C@H]2CO1	REAL300020296295	0	46	-1.0	-49.94	369.55	4.36	-45.58
O=C1N[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC[C@H]2CO1	REAL300020296295	1	46	-1.0	-49.94	369.60	4.37	-45.57
C(CC1=NN=C(N2CCN3C(CC4CC4)=NN=C3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296296	0	53	-1.0	-43.92	425.36	10.43	-33.49
C(CC1=NN=C(N2CCN3C(CC4CC4)=NN=C3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296296	1	53	-1.0	-43.95	425.42	10.44	-33.51
C(C1=N[N-]N=N1)C1=NN=C(N2CCN3C(CC4CC4)=NN=C3C2)N1CC1CC1	REAL300020296297	0	50	-1.0	-47.01	395.97	9.83	-37.18
C(C1=NN=N[N-]1)C1=NN=C(N2CCN3C(CC4CC4)=NN=C3C2)N1CC1CC1	REAL300020296297	1	50	-1.0	-47.02	396.03	9.84	-37.18
FC1(F)C(F)(F)C12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296298	0	44	-1.0	-41.27	380.54	8.54	-32.73
FC1(F)C(F)(F)C12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296298	1	44	-1.0	-41.27	380.61	8.56	-32.71
CCN(CCSC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296299	0	46	-1.0	-42.19	379.74	7.62	-34.57
CCN(CCSC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296299	1	46	-1.0	-42.24	379.80	7.63	-34.61
CCN(CCSC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296300	0	43	-1.0	-46.72	365.63	7.25	-39.47
CCN(CCSC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296300	1	43	-1.0	-46.70	365.69	7.26	-39.44
CCN(CCSC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296301	0	50	-1.0	-43.97	402.28	9.61	-34.36
CCN(CCSC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296301	1	50	-1.0	-43.94	402.32	9.60	-34.34
CN(C)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296302	0	52	-1.0	-46.37	403.95	6.90	-39.47
CN(C)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296302	1	52	-1.0	-46.36	404.00	6.91	-39.45
CN(C)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296303	0	49	-1.0	-47.92	388.78	6.04	-41.88
CN(C)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296303	1	49	-1.0	-47.91	388.84	6.06	-41.85
CC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296304	0	53	-1.0	-41.63	416.41	10.63	-31.00
CC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296304	1	53	-1.0	-41.67	416.47	10.65	-31.02
CC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296305	0	50	-1.0	-44.08	398.82	9.98	-34.10
CC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296305	1	50	-1.0	-44.09	398.87	10.01	-34.08
FC1(F)CC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296306	0	47	-1.0	-40.90	377.09	9.14	-31.76
FC1(F)CC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296306	1	47	-1.0	-40.94	377.15	9.16	-31.78
FC1(F)CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296307	0	44	-1.0	-43.77	359.49	8.49	-35.28
FC1(F)CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296307	1	44	-1.0	-43.78	359.53	8.51	-35.27
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020296308	0	44	-1.0	-42.04	353.89	5.75	-36.29
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020296308	1	44	-1.0	-42.09	353.94	5.76	-36.33
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020296309	0	41	-1.0	-44.98	324.55	5.15	-39.83
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020296309	1	41	-1.0	-44.96	324.51	5.13	-39.83
CN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1=O	REAL300020296310	0	48	-1.0	-44.13	379.25	7.54	-36.59
CN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1=O	REAL300020296310	1	48	-1.0	-44.04	379.29	7.53	-36.51
CC(CSC1=CC=CC=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296311	0	53	-1.0	-41.77	430.83	11.50	-30.27
CC(CSC1=CC=CC=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296311	1	53	-1.0	-41.76	430.89	11.51	-30.25
CC(CSC1=CC=CC=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296312	0	50	-1.0	-42.63	409.33	10.71	-31.92
CC(CSC1=CC=CC=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296312	1	50	-1.0	-42.64	409.39	10.74	-31.90
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COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H](C)O1	REAL300020296406	0	47	-1.0	-47.26	387.98	6.92	-40.34
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FCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296414	1	46	-1.0	-43.59	367.29	8.52	-35.07
FCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296415	0	53	-1.0	-44.28	403.31	10.36	-33.92
FCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296415	1	53	-1.0	-44.25	403.34	10.35	-33.90
COCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296416	0	56	-1.0	-41.89	431.94	8.88	-33.01
COCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296416	1	56	-1.0	-41.87	432.00	8.90	-32.97
COCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296417	0	53	-1.0	-45.15	402.46	8.28	-36.87
COCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296417	1	53	-1.0	-45.13	402.50	8.29	-36.84
CC12COCC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296418	0	48	-1.0	-40.13	377.12	6.43	-33.70
CC12COCC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296418	1	48	-1.0	-40.09	377.18	6.44	-33.65
CC12COCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296419	0	45	-1.0	-42.96	351.97	5.85	-37.11
CC12COCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296419	1	45	-1.0	-42.99	351.98	5.88	-37.11
CC12COCC1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CC1CC1)C2	REAL300020296420	0	52	-1.0	-44.02	411.40	8.50	-35.52
CC12COCC1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CC1CC1)C2	REAL300020296420	1	52	-1.0	-43.93	411.44	8.49	-35.44
COC1=CC=CC(C2(C)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020296421	0	54	-1.0	-47.16	421.88	9.22	-37.94
COC1=CC=CC(C2(C)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020296421	1	54	-1.0	-47.15	421.94	9.24	-37.91
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H](C)O1	REAL300020296422	0	50	-1.0	-39.60	393.20	7.57	-32.03
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020296422	1	50	-1.0	-39.59	393.25	7.59	-32.00
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H](C)O1	REAL300020296423	0	47	-1.0	-44.37	363.33	6.99	-37.38
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)O1	REAL300020296423	1	47	-1.0	-44.40	363.38	7.00	-37.40
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C[C@H](C)O1	REAL300020296424	0	54	-1.0	-41.00	417.07	9.41	-31.59
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C[C@H](C)O1	REAL300020296424	1	54	-1.0	-40.96	417.09	9.40	-31.56
CCCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296425	0	52	-1.0	-41.80	419.24	10.95	-30.85
CCCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296425	1	52	-1.0	-41.78	419.30	10.97	-30.81
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296426	0	49	-1.0	-45.28	393.77	9.74	-35.54
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296426	1	49	-1.0	-45.30	393.72	9.71	-35.59
FC1(F)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296427	0	46	-1.0	-39.72	370.06	8.44	-31.28
FC1(F)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296427	1	46	-1.0	-39.72	370.11	8.45	-31.27
FC1(F)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296428	0	43	-1.0	-41.21	351.45	7.76	-33.45
FC1(F)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296428	1	43	-1.0	-41.23	351.51	7.78	-33.45
NC(=O)C1=CN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)N=N1	REAL300020296429	0	50	-1.0	-48.82	410.34	3.28	-45.54
NC(=O)C1=CN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)N=N1	REAL300020296429	1	50	-1.0	-48.83	410.30	3.26	-45.57
CC(C)C1=NC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=CS1	REAL300020296430	0	51	-1.0	-40.35	431.48	8.65	-31.70
CC(C)C1=NC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=CS1	REAL300020296430	1	51	-1.0	-40.36	431.54	8.67	-31.69
CC(C)C1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=CS1	REAL300020296431	0	48	-1.0	-43.89	398.44	8.24	-35.65
CC(C)C1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=CS1	REAL300020296431	1	48	-1.0	-43.90	398.46	8.25	-35.65
CN(CC1=CN(C)N=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296432	0	45	-1.0	-48.86	370.44	5.89	-42.97
CN(CC1=CN(C)N=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296432	1	45	-1.0	-48.88	370.50	5.91	-42.97
CN(CC1=CN(C)N=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296433	0	42	-1.0	-48.54	341.08	5.31	-43.23
CN(CC1=CN(C)N=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296433	1	42	-1.0	-48.54	341.03	5.29	-43.25
CN(CC1=CN(C)N=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296434	0	49	-1.0	-50.29	394.51	7.70	-42.59
CN(CC1=CN(C)N=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296434	1	49	-1.0	-50.29	394.54	7.69	-42.60
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296435	0	52	-1.0	-40.49	403.77	8.61	-31.88
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296435	1	52	-1.0	-40.53	403.83	8.63	-31.90
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296436	0	49	-1.0	-45.06	382.91	7.93	-37.13
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296436	1	49	-1.0	-45.07	382.97	7.95	-37.12
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296437	0	56	-1.0	-41.32	426.23	10.43	-30.89
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296437	1	56	-1.0	-41.34	426.27	10.42	-30.92
C(CC1=NN=C(N2CCC(C3CCCCO3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296438	0	57	-1.0	-41.77	429.29	9.39	-32.38
C(CC1=NN=C(N2CCC(C3CCCCO3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296438	1	57	-1.0	-41.78	429.35	9.41	-32.37
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCCO3)CC2)N1CC1CC1	REAL300020296439	0	54	-1.0	-44.57	407.79	8.61	-35.96
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCCO3)CC2)N1CC1CC1	REAL300020296439	1	54	-1.0	-44.66	407.84	8.63	-36.03
C(CC1=NN=C(N2CCCC(C3CCCCO3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296440	0	57	-1.0	-41.38	438.91	9.52	-31.86
C(CC1=NN=C(N2CCCC(C3CCCCO3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296440	1	57	-1.0	-41.34	438.96	9.53	-31.81
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(C3CCCCO3)C2)N1CC1CC1	REAL300020296441	0	54	-1.0	-44.34	413.16	8.72	-35.62
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(C3CCCCO3)C2)N1CC1CC1	REAL300020296441	1	54	-1.0	-44.33	413.22	8.74	-35.59
C(CC1=NN=C(N2CC3(C2)CCCO3)N1CC1CC1)C1=N[N-]N=N1	REAL300020296442	0	45	-1.0	-41.92	365.76	5.84	-36.08
C(CC1=NN=C(N2CC3(C2)CCCO3)N1CC1CC1)C1=NN=N[N-]1	REAL300020296442	1	45	-1.0	-41.90	365.81	5.86	-36.04
C(C1=N[N-]N=N1)C1=NN=C(N2CC3(C2)CCCO3)N1CC1CC1	REAL300020296443	0	42	-1.0	-44.27	344.26	5.06	-39.21
C(C1=NN=N[N-]1)C1=NN=C(N2CC3(C2)CCCO3)N1CC1CC1	REAL300020296443	1	42	-1.0	-44.28	344.32	5.08	-39.20
C1=CC(C2=NN=C(N3CC4(C3)CCCO4)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296444	0	49	-1.0	-43.48	390.66	7.68	-35.80
C1=CC(C2=NN=C(N3CC4(C3)CCCO4)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296444	1	49	-1.0	-43.45	390.70	7.66	-35.79
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296445	0	50	-1.0	-49.66	382.95	6.00	-43.66
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296445	1	50	-1.0	-49.65	383.01	6.02	-43.63
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296446	0	47	-1.0	-53.55	371.26	6.69	-46.86
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296446	1	47	-1.0	-53.57	371.31	6.71	-46.86
C(CC1=NN=C(N2CCSC3CCC32)N1CC1CC1)C1=N[N-]N=N1	REAL300020296447	0	45	-1.0	-38.40	368.92	8.62	-29.78
C(CC1=NN=C(N2CCSC3CCC32)N1CC1CC1)C1=NN=N[N-]1	REAL300020296447	1	45	-1.0	-38.45	368.98	8.63	-29.82
C(C1=N[N-]N=N1)C1=NN=C(N2CCSC3CCC32)N1CC1CC1	REAL300020296448	0	42	-1.0	-41.31	338.84	7.43	-33.88
C(C1=NN=N[N-]1)C1=NN=C(N2CCSC3CCC32)N1CC1CC1	REAL300020296448	1	42	-1.0	-41.35	338.90	7.45	-33.90
C1=CC(C2=NN=C(N3CCSC4CCC43)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296449	0	49	-1.0	-42.17	396.99	11.04	-31.13
C1=CC(C2=NN=C(N3CCSC4CCC43)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296449	1	49	-1.0	-42.20	396.51	11.02	-31.18
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]21	REAL300020296450	0	48	-1.0	-49.12	392.65	3.30	-45.82
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]21	REAL300020296450	1	48	-1.0	-49.14	392.69	3.32	-45.82
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]12	REAL300020296451	0	48	-1.0	-53.52	387.09	3.46	-50.06
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]12	REAL300020296451	1	48	-1.0	-53.50	387.15	3.47	-50.03
O=S(=O)(C1CC1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296452	0	49	-1.0	-44.99	412.09	5.13	-39.86
O=S(=O)(C1CC1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296452	1	49	-1.0	-45.01	412.14	5.16	-39.85
CNC(=O)NCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296453	0	53	-1.0	-48.47	434.50	3.34	-45.13
CNC(=O)NCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296453	1	53	-1.0	-48.42	434.56	3.35	-45.07
CNC(=O)NCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296454	0	50	-1.0	-49.65	410.88	2.48	-47.17
CNC(=O)NCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296454	1	50	-1.0	-49.63	410.94	2.51	-47.12
CN1C2=CC=CC=C2CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020296455	0	51	-1.0	-49.27	413.22	8.62	-40.65
CN1C2=CC=CC=C2CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020296455	1	51	-1.0	-49.31	413.28	8.64	-40.67
CN1C2=CC=CC=C2CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1=O	REAL300020296456	0	48	-1.0	-43.89	389.56	8.09	-35.80
CN1C2=CC=CC=C2CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1=O	REAL300020296456	1	48	-1.0	-43.92	389.50	8.08	-35.84
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(C(N)=O)O1	REAL300020296457	0	48	-1.0	-43.38	388.36	3.81	-39.57
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C(N)=O)O1	REAL300020296457	1	48	-1.0	-43.39	388.41	3.83	-39.56
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C(N)=O)O1	REAL300020296458	0	45	-1.0	-47.28	363.38	3.26	-44.02
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C(N)=O)O1	REAL300020296458	1	45	-1.0	-47.32	363.42	3.28	-44.04
CC1=NOC(C23CC(C2)CN3C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020296459	0	49	-1.0	-47.28	392.97	6.93	-40.35
CC1=NOC(C23CC(C2)CN3C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020296459	1	49	-1.0	-47.29	393.03	6.95	-40.34
CC1=NOC(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020296460	0	46	-1.0	-48.69	367.12	6.49	-42.20
CC1=NOC(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020296460	1	46	-1.0	-48.69	367.15	6.50	-42.19
CC1C(C(F)(F)F)OCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296461	0	47	-1.0	-40.22	383.28	6.60	-33.62
CC1C(C(F)(F)F)OCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296461	1	47	-1.0	-40.23	383.34	6.61	-33.62
CC1C(C(F)(F)F)OCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296462	0	44	-1.0	-43.68	352.85	5.92	-37.76
CC1C(C(F)(F)F)OCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296462	1	44	-1.0	-43.70	352.89	5.94	-37.76
COC(=O)C1(OC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296463	0	50	-1.0	-43.81	397.95	6.75	-37.06
COC(=O)C1(OC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296463	1	50	-1.0	-43.84	398.01	6.76	-37.08
COC(=O)C1(OC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296464	0	47	-1.0	-46.94	379.37	5.94	-41.00
COC(=O)C1(OC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296464	1	47	-1.0	-46.93	379.43	5.96	-40.97
FC1=CC=CC=C1CN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296465	0	53	-1.0	-41.04	436.29	11.10	-29.94
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CCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296475	0	54	-1.0	-41.29	416.43	9.95	-31.34
CCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296475	1	54	-1.0	-41.26	416.48	9.97	-31.29
C(CC1=NN=C(N2CCCC(C3CCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296476	0	53	-1.0	-40.47	413.13	10.45	-30.02
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C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(C3CCC3)C2)N1CC1CC1	REAL300020296477	0	50	-1.0	-43.75	387.42	9.66	-34.09
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(C3CCC3)C2)N1CC1CC1	REAL300020296477	1	50	-1.0	-43.76	387.46	9.67	-34.09
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CCCCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296482	1	63	-1.0	-40.39	475.02	12.17	-28.22
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CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C)(C(F)F)O1	REAL300020296484	1	50	-1.0	-42.83	397.18	7.64	-35.19
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CC1(C(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296495	0	44	-1.0	-41.32	360.46	6.50	-34.82
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FC(F)(F)CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296496	1	47	-1.0	-40.91	395.75	7.35	-33.56
FC(F)(F)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296497	0	44	-1.0	-42.22	375.76	6.60	-35.62
FC(F)(F)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296497	1	44	-1.0	-42.17	375.82	6.62	-35.55
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(CC(F)(F)F)O1	REAL300020296498	0	47	-1.0	-41.70	387.34	7.72	-33.98
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(CC(F)(F)F)O1	REAL300020296498	1	47	-1.0	-41.73	387.40	7.75	-33.98
CC(C)(C)C1=NN=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCN21	REAL300020296499	0	55	-1.0	-43.95	424.86	9.51	-34.44
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CC(C)(C)C1=NN=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCN21	REAL300020296500	0	52	-1.0	-46.84	395.49	8.90	-37.94
CC(C)(C)C1=NN=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCN21	REAL300020296500	1	52	-1.0	-46.85	395.53	8.92	-37.93
CCC(CC)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296501	0	56	-1.0	-44.76	433.03	8.16	-36.60
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C(CC1=NN=C(N2CCC3(COC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296502	1	45	-1.0	-41.43	360.16	6.11	-35.32
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(COC3)C2)N1CC1CC1	REAL300020296503	0	42	-1.0	-42.72	340.68	5.30	-37.42
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CCCCCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296505	1	58	-1.0	-41.02	446.50	10.29	-30.73
CCCCCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296506	0	55	-1.0	-45.43	428.00	9.64	-35.79
CCCCCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296506	1	55	-1.0	-45.45	428.06	9.66	-35.79
C(CC1=NN=C(N2CCCCC2CC2CCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296507	0	56	-1.0	-41.11	430.48	10.58	-30.53
C(CC1=NN=C(N2CCCCC2CC2CCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296507	1	56	-1.0	-41.13	430.54	10.59	-30.54
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC2CC2CCC2)N1CC1CC1	REAL300020296508	0	53	-1.0	-45.24	407.45	9.23	-36.01
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CC(C)C1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=N1	REAL300020296509	0	54	-1.0	-41.56	428.61	9.01	-32.55
CC(C)C1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=N1	REAL300020296509	1	54	-1.0	-41.55	428.66	9.03	-32.52
CC(C)C1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=N1	REAL300020296510	0	51	-1.0	-42.65	399.21	8.41	-34.24
CC(C)C1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=N1	REAL300020296510	1	51	-1.0	-42.71	399.27	8.43	-34.28
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C(C)=C1	REAL300020296511	0	55	-1.0	-41.63	439.80	9.89	-31.74
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C(C)=C1	REAL300020296511	1	55	-1.0	-41.65	439.86	9.92	-31.73
CN1C=CC=C1C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296512	0	52	-1.0	-46.46	419.93	7.98	-38.48
CN1C=CC=C1C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296512	1	52	-1.0	-46.45	419.98	8.01	-38.44
C(CC1=NN=C(N2CCC3CC3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296513	0	44	-1.0	-40.03	349.61	8.45	-31.58
C(CC1=NN=C(N2CCC3CC3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296513	1	44	-1.0	-40.02	349.67	8.47	-31.55
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CC3C2)N1CC1CC1	REAL300020296514	0	41	-1.0	-42.67	327.53	7.66	-35.01
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CC3C2)N1CC1CC1	REAL300020296514	1	41	-1.0	-42.64	327.50	7.65	-34.99
C1=CC(C2=NN=C(N3CCC4CC4C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296515	0	48	-1.0	-41.88	379.80	10.48	-31.40
C1=CC(C2=NN=C(N3CCC4CC4C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296515	1	48	-1.0	-41.84	379.85	10.46	-31.38
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C(C1=N[N-]N=N1)C1=NN=C(N2CCC3COCC3C2)N1CC1CC1	REAL300020296533	0	45	-1.0	-44.72	358.72	6.41	-38.31
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C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296548	1	47	-1.0	-40.94	383.60	9.80	-31.14
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296549	0	44	-1.0	-45.58	356.04	9.15	-36.43
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296549	1	44	-1.0	-45.55	355.98	9.14	-36.41
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296550	0	51	-1.0	-43.09	407.16	11.52	-31.57
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296550	1	51	-1.0	-43.05	407.20	11.51	-31.54
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COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296564	1	52	-1.0	-50.20	414.19	6.39	-43.81
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C(C1=N[N-]N=N1)C1=NN=C(N2CC3C4COCC4C3C2)N1CC1CC1	REAL300020296566	0	46	-1.0	-44.48	361.27	6.56	-37.92
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NC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296567	0	51	-1.0	-47.91	404.38	6.65	-41.26
NC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296567	1	51	-1.0	-47.95	404.44	6.67	-41.28
NC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296568	0	48	-1.0	-50.63	391.69	5.81	-44.82
NC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296568	1	48	-1.0	-50.62	391.75	5.84	-44.78
C(CC1=NN=C(N2CC34COCC3(C2)CCCC4)N1CC1CC1)C1=N[N-]N=N1	REAL300020296569	0	55	-1.0	-42.34	408.29	8.07	-34.27
C(CC1=NN=C(N2CC34COCC3(C2)CCCC4)N1CC1CC1)C1=NN=N[N-]1	REAL300020296569	1	55	-1.0	-42.33	408.36	8.08	-34.25
C(C1=N[N-]N=N1)C1=NN=C(N2CC34COCC3(C2)CCCC4)N1CC1CC1	REAL300020296570	0	52	-1.0	-43.50	392.60	7.44	-36.06
C(C1=NN=N[N-]1)C1=NN=C(N2CC34COCC3(C2)CCCC4)N1CC1CC1	REAL300020296570	1	52	-1.0	-43.48	392.66	7.46	-36.02
CN(CC1CC1(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296571	0	49	-1.0	-40.62	385.15	9.16	-31.46
CN(CC1CC1(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296571	1	49	-1.0	-40.67	385.21	9.17	-31.50
CN(CC1CC1(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296572	0	46	-1.0	-41.24	371.01	8.52	-32.72
CN(CC1CC1(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296572	1	46	-1.0	-41.27	371.06	8.55	-32.72
CN(CC1CC1(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296573	0	53	-1.0	-42.16	409.23	10.96	-31.20
CN(CC1CC1(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296573	1	53	-1.0	-42.15	409.26	10.95	-31.20
OCC1CC2CCC1N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296574	0	51	-1.0	-41.21	390.86	5.56	-35.65
OCC1CC2CCC1N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296574	1	51	-1.0	-41.22	390.92	5.57	-35.65
OCC1CC2CCC1N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296575	0	48	-1.0	-43.05	371.50	4.84	-38.21
OCC1CC2CCC1N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296575	1	48	-1.0	-43.07	371.55	4.86	-38.21
CCN(CCOC1=CC=CC=C1OC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296576	0	54	-1.0	-46.40	436.10	8.48	-37.92
CCN(CCOC1=CC=CC=C1OC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296576	1	54	-1.0	-46.37	436.16	8.50	-37.87
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)O1	REAL300020296577	0	49	-1.0	-48.46	396.30	3.26	-45.20
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)O1	REAL300020296577	1	49	-1.0	-48.49	396.35	3.27	-45.22
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)O1	REAL300020296578	0	46	-1.0	-50.33	370.43	2.80	-47.53
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)O1	REAL300020296578	1	46	-1.0	-50.37	370.47	2.81	-47.56
C[NH+](C)CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296579	0	59	0.0	-65.92	451.84	9.06	-56.86
C[NH+](C)CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296579	1	59	0.0	-65.91	451.89	9.07	-56.84
C[NH+](C)CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296580	0	56	0.0	-66.26	433.64	8.38	-57.88
C[NH+](C)CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296580	1	56	0.0	-66.37	433.70	8.41	-57.96
C(CC1=NN=C(N2CC3CCC(C3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296581	0	47	-1.0	-40.67	360.61	9.45	-31.22
C(CC1=NN=C(N2CC3CCC(C3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296581	1	47	-1.0	-40.68	360.66	9.47	-31.21
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC(C3)C2)N1CC1CC1	REAL300020296582	0	44	-1.0	-42.31	342.26	8.77	-33.54
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC(C3)C2)N1CC1CC1	REAL300020296582	1	44	-1.0	-42.31	342.31	8.80	-33.51
C1=CC(C2=NN=C(N3CC4CCC(C4)C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296583	0	51	-1.0	-41.77	389.70	11.44	-30.33
C1=CC(C2=NN=C(N3CC4CCC(C4)C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296583	1	51	-1.0	-41.73	389.72	11.43	-30.30
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296584	0	56	-1.0	-50.83	433.62	7.43	-43.40
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296584	1	56	-1.0	-50.83	433.68	7.44	-43.39
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296585	0	53	-1.0	-55.57	418.99	7.06	-48.51
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296585	1	53	-1.0	-55.55	419.03	7.07	-48.48
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296586	0	56	-1.0	-48.82	447.48	7.50	-41.32
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296586	1	56	-1.0	-48.82	447.54	7.51	-41.31
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296587	0	53	-1.0	-50.35	425.99	6.72	-43.63
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296587	1	53	-1.0	-50.31	426.05	6.74	-43.57
C1=CN=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=N1	REAL300020296588	0	45	-1.0	-41.89	365.43	6.18	-35.71
C1=CN=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=N1	REAL300020296588	1	45	-1.0	-41.87	365.49	6.20	-35.67
C1=CN=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=N1	REAL300020296589	0	42	-1.0	-44.78	336.08	5.59	-39.19
C1=CN=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=N1	REAL300020296589	1	42	-1.0	-44.77	336.03	5.57	-39.20
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296590	0	47	-1.0	-40.42	375.21	8.42	-32.00
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296590	1	47	-1.0	-40.38	375.27	8.43	-31.95
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296591	0	44	-1.0	-45.03	351.25	8.12	-36.91
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296591	1	44	-1.0	-45.00	351.22	8.10	-36.90
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296592	0	51	-1.0	-42.95	403.38	11.37	-31.58
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296592	1	51	-1.0	-42.92	403.42	11.36	-31.56
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1C	REAL300020296593	0	52	-1.0	-42.33	405.78	9.13	-33.20
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296593	1	52	-1.0	-42.34	405.83	9.15	-33.19
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1C	REAL300020296594	0	49	-1.0	-44.67	390.58	8.45	-36.22
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296594	1	49	-1.0	-44.68	390.64	8.47	-36.21
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296595	0	55	-1.0	-44.41	418.83	7.31	-37.10
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296595	1	55	-1.0	-44.41	418.88	7.32	-37.09
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296596	0	52	-1.0	-53.55	398.43	6.73	-46.82
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296596	1	52	-1.0	-53.53	398.49	6.75	-46.78
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296597	0	55	-1.0	-41.39	426.84	10.22	-31.17
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296597	1	55	-1.0	-41.43	426.89	10.23	-31.20
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296598	0	52	-1.0	-44.06	405.41	9.45	-34.61
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296598	1	52	-1.0	-44.07	405.47	9.47	-34.60
CN(CC(=O)N1CCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296599	0	50	-1.0	-41.20	406.92	7.43	-33.77
CN(CC(=O)N1CCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296599	1	50	-1.0	-41.20	406.98	7.44	-33.76
CN(CC(=O)N1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296600	0	47	-1.0	-43.71	385.86	6.66	-37.05
CN(CC(=O)N1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296600	1	47	-1.0	-43.72	385.91	6.69	-37.03
CC(C)CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296601	0	56	-1.0	-42.66	434.87	8.95	-33.71
CC(C)CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296601	1	56	-1.0	-42.68	434.93	8.96	-33.72
CC(C)CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296602	0	53	-1.0	-47.78	414.47	8.32	-39.46
CC(C)CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296602	1	53	-1.0	-47.75	414.52	8.34	-39.41
O=C1NCCN1C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296603	0	53	-1.0	-51.84	411.47	6.12	-45.72
O=C1NCCN1C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296603	1	53	-1.0	-51.81	411.53	6.14	-45.67
O=C1NCCN1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296604	0	50	-1.0	-57.89	382.06	5.52	-52.37
O=C1NCCN1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296604	1	50	-1.0	-57.90	382.12	5.54	-52.36
CS(=O)(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296605	0	51	-1.0	-52.25	411.11	3.70	-48.55
CS(=O)(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296605	1	51	-1.0	-52.23	411.17	3.72	-48.51
CS(=O)(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296606	0	48	-1.0	-53.78	381.71	3.10	-50.68
CS(=O)(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296606	1	48	-1.0	-53.80	381.77	3.12	-50.68
O=C(NCCO)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296607	0	54	-1.0	-44.96	438.20	3.41	-41.55
O=C(NCCO)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296607	1	54	-1.0	-44.96	438.26	3.42	-41.54
O=C(NCCO)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296608	0	51	-1.0	-46.30	416.71	2.62	-43.68
O=C(NCCO)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296608	1	51	-1.0	-46.29	416.77	2.65	-43.64
FC(F)(F)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296609	0	46	-1.0	-41.97	371.16	8.54	-33.43
FC(F)(F)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296609	1	46	-1.0	-42.01	371.21	8.55	-33.46
FC(F)(F)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296610	0	43	-1.0	-41.93	363.68	7.83	-34.10
FC(F)(F)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296610	1	43	-1.0	-41.94	363.73	7.85	-34.09
CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296611	0	46	-1.0	-42.31	368.30	8.52	-33.79
CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296611	1	46	-1.0	-42.31	368.36	8.54	-33.77
CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296612	0	43	-1.0	-44.10	351.74	7.56	-36.54
CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296612	1	43	-1.0	-44.09	351.79	7.59	-36.50
CC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020296613	0	50	-1.0	-43.97	392.80	10.39	-33.58
CC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020296613	1	50	-1.0	-43.98	392.84	10.38	-33.60
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296614	0	52	-1.0	-40.26	407.60	9.80	-30.46
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296614	1	52	-1.0	-40.22	407.65	9.81	-30.41
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296615	0	49	-1.0	-41.24	383.64	10.24	-31.00
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296615	1	49	-1.0	-41.23	383.58	10.21	-31.02
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296616	0	52	-1.0	-42.36	411.56	10.42	-31.94
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296616	1	52	-1.0	-42.37	411.61	10.44	-31.93
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296617	0	49	-1.0	-43.37	388.95	9.64	-33.73
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296617	1	49	-1.0	-43.33	388.89	9.62	-33.71
C(CC1=NN=C(N2CCCC3(CC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296618	0	50	-1.0	-41.45	375.03	9.03	-32.42
C(CC1=NN=C(N2CCCC3(CC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296618	1	50	-1.0	-41.44	375.09	9.05	-32.39
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CC3)CC2)N1CC1CC1	REAL300020296619	0	47	-1.0	-44.98	357.20	9.04	-35.94
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CC3)CC2)N1CC1CC1	REAL300020296619	1	47	-1.0	-44.98	357.26	9.06	-35.92
C1=CC(C2=NN=C(N3CCCC4(CC4)CC3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296620	0	54	-1.0	-41.36	410.53	11.75	-29.61
C1=CC(C2=NN=C(N3CCCC4(CC4)CC3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296620	1	54	-1.0	-41.41	410.55	11.74	-29.67
CC=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296621	0	53	-1.0	-40.42	413.84	10.44	-29.98
CC=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296621	1	53	-1.0	-40.42	413.90	10.46	-29.96
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296622	0	50	-1.0	-41.77	395.62	9.77	-32.00
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296622	1	50	-1.0	-41.78	395.68	9.80	-31.98
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1F	REAL300020296623	0	51	-1.0	-48.22	415.32	9.05	-39.17
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1F	REAL300020296623	1	51	-1.0	-48.23	415.38	9.06	-39.17
CNS(=O)(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296624	0	51	-1.0	-47.92	413.68	3.95	-43.97
CNS(=O)(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296624	1	51	-1.0	-47.95	413.72	3.98	-43.97
COCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296625	0	51	-1.0	-41.46	398.31	6.43	-35.03
COCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296625	1	51	-1.0	-41.48	398.36	6.44	-35.04
COCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296626	0	48	-1.0	-45.01	385.03	5.79	-39.22
COCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296626	1	48	-1.0	-44.99	385.08	5.81	-39.18
N#CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296627	0	51	-1.0	-47.18	413.52	10.88	-36.30
N#CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296627	1	51	-1.0	-47.15	413.57	10.89	-36.26
N#CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296628	0	48	-1.0	-48.48	400.84	10.04	-38.44
N#CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296628	1	48	-1.0	-48.50	400.89	10.06	-38.44
NC(=O)CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296629	0	48	-1.0	-45.31	395.76	3.92	-41.39
NC(=O)CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296629	1	48	-1.0	-45.32	395.82	3.93	-41.39
NC(=O)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296630	0	45	-1.0	-46.85	369.97	3.13	-43.72
NC(=O)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296630	1	45	-1.0	-46.88	370.03	3.15	-43.73
CCC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020296631	0	56	-1.0	-44.20	435.04	12.12	-32.08
CCC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296631	1	56	-1.0	-44.20	435.08	12.13	-32.07
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C21	REAL300020296632	0	50	-1.0	-45.32	388.70	12.32	-33.00
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C21	REAL300020296632	1	50	-1.0	-45.31	388.76	12.34	-32.97
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C21	REAL300020296633	0	47	-1.0	-47.34	375.40	11.81	-35.53
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C21	REAL300020296633	1	47	-1.0	-47.34	375.34	11.79	-35.55
C(CC1=NN=C(N2CCC3(CCSCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296634	0	54	-1.0	-40.78	406.45	9.97	-30.81
C(CC1=NN=C(N2CCC3(CCSCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296634	1	54	-1.0	-40.79	406.50	9.99	-30.80
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCSCC3)CC2)N1CC1CC1	REAL300020296635	0	51	-1.0	-42.35	392.71	9.30	-33.05
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCSCC3)CC2)N1CC1CC1	REAL300020296635	1	51	-1.0	-42.35	392.76	9.33	-33.02
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296636	0	58	0.0	-69.72	401.27	8.71	-61.01
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296636	1	58	0.0	-69.73	401.32	8.72	-61.01
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296637	0	55	0.0	-71.51	392.04	8.34	-63.17
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296637	1	55	0.0	-71.49	392.09	8.35	-63.14
CC1CC(F)(F)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296638	0	46	-1.0	-41.08	370.14	7.89	-33.19
CC1CC(F)(F)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296638	1	46	-1.0	-41.05	370.20	7.90	-33.15
CC1CC(F)(F)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296639	0	43	-1.0	-43.50	344.70	7.40	-36.10
CC1CC(F)(F)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296639	1	43	-1.0	-43.50	344.74	7.42	-36.08
OC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296640	0	48	-1.0	-42.25	385.39	7.09	-35.16
OC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296640	1	48	-1.0	-42.26	385.45	7.11	-35.15
OC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296641	0	45	-1.0	-45.04	372.76	6.28	-38.76
OC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296641	1	45	-1.0	-45.02	372.70	6.25	-38.77
CC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296642	0	59	0.0	-65.75	431.18	9.79	-55.96
CC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296642	1	59	0.0	-65.70	431.23	9.81	-55.89
CC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296643	0	56	0.0	-63.31	411.29	9.06	-54.25
CC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296643	1	56	0.0	-63.35	411.35	9.09	-54.26
OC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C(F)(F)F	REAL300020296644	0	47	-1.0	-44.48	391.86	5.16	-39.32
OC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C(F)(F)F	REAL300020296644	1	47	-1.0	-44.49	391.91	5.17	-39.32
OC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C(F)(F)F	REAL300020296645	0	44	-1.0	-48.73	367.19	4.36	-44.37
OC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C(F)(F)F	REAL300020296645	1	44	-1.0	-48.76	367.25	4.38	-44.38
C1=CSC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020296646	0	52	-1.0	-41.93	432.12	9.26	-32.67
C1=CSC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020296646	1	52	-1.0	-41.96	432.17	9.27	-32.69
C1=CSC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020296647	0	49	-1.0	-45.02	410.62	8.47	-36.55
C1=CSC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020296647	1	49	-1.0	-45.00	410.68	8.50	-36.50
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296648	0	62	0.0	-65.62	437.22	10.64	-54.98
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296648	1	62	0.0	-65.62	437.28	10.66	-54.96
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296649	0	59	0.0	-63.20	420.79	9.36	-53.84
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296649	1	59	0.0	-63.18	420.84	9.39	-53.79
CCON1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296650	0	49	-1.0	-40.62	390.48	5.94	-34.68
CCON1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296650	1	49	-1.0	-40.62	390.54	5.95	-34.67
CCON1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296651	0	46	-1.0	-40.67	378.14	5.67	-35.00
CCON1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296651	1	46	-1.0	-40.70	378.20	5.70	-35.00
CCON1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020296652	0	53	-1.0	-41.49	419.49	8.48	-33.01
CCON1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020296652	1	53	-1.0	-41.45	419.54	8.47	-32.98
FCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296653	0	49	-1.0	-41.86	383.36	9.19	-32.67
FCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296653	1	49	-1.0	-41.92	383.42	9.21	-32.71
FCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296654	0	46	-1.0	-44.13	353.87	8.59	-35.54
FCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296654	1	46	-1.0	-44.13	353.92	8.61	-35.52
FCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020296655	0	53	-1.0	-43.69	407.55	11.00	-32.69
FCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020296655	1	53	-1.0	-43.66	407.58	10.99	-32.67
CCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296656	0	51	-1.0	-41.33	412.96	6.43	-34.90
CCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296656	1	51	-1.0	-41.26	413.02	6.44	-34.82
CCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296657	0	48	-1.0	-42.51	388.90	5.68	-36.83
CCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296657	1	48	-1.0	-42.48	388.95	5.70	-36.78
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296658	0	59	0.0	-73.80	451.46	8.25	-65.55
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296658	1	59	0.0	-73.80	451.53	8.27	-65.53
FC(F)(F)[C@]12CC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296659	0	47	-1.0	-42.85	385.49	9.50	-33.35
FC(F)(F)[C@]12CC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296659	1	47	-1.0	-42.88	385.54	9.51	-33.37
FC(F)(F)[C@]12CC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296660	0	44	-1.0	-46.64	368.71	8.53	-38.11
FC(F)(F)[C@]12CC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296660	1	44	-1.0	-46.66	368.77	8.55	-38.11
CC1([NH+]2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296661	0	57	0.0	-68.98	408.02	7.43	-61.55
CC1(N2CCOCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296661	1	56	-1.0	-43.88	406.15	5.28	-38.60
CC1(N2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296661	1	56	-1.0	-43.88	406.23	5.30	-38.58
CSC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296662	0	47	-1.0	-40.57	379.26	8.82	-31.75
CSC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296662	1	47	-1.0	-40.59	379.31	8.84	-31.75
CSC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296663	0	44	-1.0	-42.29	349.78	8.23	-34.06
CSC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296663	1	44	-1.0	-42.34	349.81	8.25	-34.09
CSC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020296664	0	51	-1.0	-42.32	403.46	10.64	-31.68
CSC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020296664	1	51	-1.0	-42.33	403.50	10.63	-31.70
CC1(C)C(C2=CC=C(F)C=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296665	0	53	-1.0	-44.34	416.62	10.27	-34.07
CC1(C)C(C2=CC=C(F)C=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296665	1	53	-1.0	-44.34	416.67	10.28	-34.06
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCCCC1	REAL300020296666	0	58	-1.0	-39.82	437.82	10.92	-28.90
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCCCC1	REAL300020296666	1	58	-1.0	-39.80	437.88	10.94	-28.86
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCCCC1	REAL300020296667	0	55	-1.0	-48.52	415.87	10.10	-38.42
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCCCC1	REAL300020296667	1	55	-1.0	-48.53	415.91	10.12	-38.41
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020296668	0	47	-1.0	-50.10	379.31	4.43	-45.67
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020296668	1	47	-1.0	-50.14	379.37	4.45	-45.69
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020296669	0	44	-1.0	-47.69	355.38	4.00	-43.69
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020296669	1	44	-1.0	-47.68	355.43	4.02	-43.66
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020296670	0	51	-1.0	-44.81	404.11	6.18	-38.63
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020296670	1	51	-1.0	-44.85	404.12	6.16	-38.69
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296671	0	50	-1.0	-49.66	382.95	6.00	-43.66
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296671	1	50	-1.0	-49.65	383.01	6.02	-43.63
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296672	0	47	-1.0	-53.55	371.26	6.69	-46.86
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296672	1	47	-1.0	-53.57	371.31	6.71	-46.86
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCCC1C#N	REAL300020296673	0	47	-1.0	-43.42	380.30	8.80	-34.62
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCCC1C#N	REAL300020296673	1	47	-1.0	-43.44	380.36	8.82	-34.62
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCCC1C#N	REAL300020296674	0	44	-1.0	-51.56	348.27	7.96	-43.60
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCCC1C#N	REAL300020296674	1	44	-1.0	-51.60	348.31	7.98	-43.62
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CCCC1C#N	REAL300020296675	0	51	-1.0	-49.58	410.04	10.27	-39.31
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CCCC1C#N	REAL300020296675	1	51	-1.0	-49.55	410.07	10.26	-39.29
NC(=O)CC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296676	0	51	-1.0	-49.44	417.81	6.34	-43.10
NC(=O)CC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296676	1	51	-1.0	-49.46	417.86	6.37	-43.09
CC(=O)NC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296677	0	51	-1.0	-54.28	409.86	7.58	-46.70
CC(=O)NC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296677	1	51	-1.0	-54.28	409.92	7.60	-46.68
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)[C@@H]1O	REAL300020296678	0	54	-1.0	-44.78	404.21	7.27	-37.51
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)[C@@H]1O	REAL300020296678	1	54	-1.0	-44.77	404.27	7.29	-37.48
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)[C@@H]1O	REAL300020296679	0	51	-1.0	-46.58	386.60	6.62	-39.96
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)[C@@H]1O	REAL300020296679	1	51	-1.0	-46.57	386.66	6.65	-39.92
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020296680	0	50	-1.0	-41.32	402.06	8.72	-32.60
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020296680	1	50	-1.0	-41.33	402.11	8.73	-32.60
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020296681	0	47	-1.0	-44.02	390.11	7.84	-36.18
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020296681	1	47	-1.0	-44.03	390.05	7.81	-36.22
C(CC1=NN=C(N2CC3CCC(C2)O3)N1CC1CC1)C1=N[N-]N=N1	REAL300020296682	0	45	-1.0	-40.87	360.22	6.89	-33.98
C(CC1=NN=C(N2CC3CCC(C2)O3)N1CC1CC1)C1=NN=N[N-]1	REAL300020296682	1	45	-1.0	-40.84	360.28	6.91	-33.93
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC(C2)O3)N1CC1CC1	REAL300020296683	0	42	-1.0	-44.89	327.62	6.42	-38.47
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC(C2)O3)N1CC1CC1	REAL300020296683	1	42	-1.0	-44.88	327.68	6.44	-38.44
C1=CC(C2=NN=C(N3CC4CCC(C3)O4)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296684	0	49	-1.0	-43.18	378.86	8.92	-34.26
C1=CC(C2=NN=C(N3CC4CCC(C3)O4)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296684	1	49	-1.0	-43.21	378.90	8.92	-34.29
COCC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=N1	REAL300020296685	0	52	-1.0	-43.41	420.75	6.77	-36.64
COCC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=N1	REAL300020296685	1	52	-1.0	-43.39	420.81	6.79	-36.60
COCC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=N1	REAL300020296686	0	49	-1.0	-43.39	409.51	5.93	-37.46
COCC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=N1	REAL300020296686	1	49	-1.0	-43.43	409.57	5.96	-37.47
COC(=O)[C@@]1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1C	REAL300020296687	0	52	-1.0	-42.39	406.47	8.34	-34.05
COC(=O)[C@@]1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296687	1	52	-1.0	-42.38	406.53	8.36	-34.02
COC(=O)[C@@]1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1C	REAL300020296688	0	49	-1.0	-47.35	386.47	7.71	-39.64
COC(=O)[C@@]1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020296688	1	49	-1.0	-47.35	386.52	7.72	-39.63
C[NH+]1CCC(N2C=C(NC3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C=N2)CC1	REAL300020296689	0	56	0.0	-80.83	438.79	10.82	-70.01
C[NH+]1CCC(N2C=C(NC3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C=N2)CC1	REAL300020296689	1	56	0.0	-80.81	438.73	10.80	-70.01
C[NH+]1CCC(N2C=C(NC3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C=N2)CC1	REAL300020296690	0	53	0.0	-83.53	417.60	10.16	-73.37
C[NH+]1CCC(N2C=C(NC3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C=N2)CC1	REAL300020296690	1	53	0.0	-83.57	417.54	10.14	-73.43
CCC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296691	0	47	-1.0	-41.58	385.50	7.19	-34.39
CCC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296691	1	47	-1.0	-41.58	385.56	7.21	-34.37
FCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296692	0	47	-1.0	-41.72	382.53	7.22	-34.50
FCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296692	1	47	-1.0	-41.76	382.59	7.24	-34.52
FCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296693	0	44	-1.0	-42.66	365.54	6.24	-36.42
FCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296693	1	44	-1.0	-42.68	365.59	6.26	-36.42
FCCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020296694	0	51	-1.0	-43.50	407.01	9.06	-34.44
FCCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020296694	1	51	-1.0	-43.49	407.04	9.05	-34.44
C1=CC=C([C@H]2C[C@@H]3CN(C4=NN=C(CCC5=N[N-]N=N5)N4CC4CC4)C[C@@H]32)C=C1	REAL300020296695	0	54	-1.0	-42.92	417.81	11.33	-31.59
C1=CC=C([C@H]2C[C@@H]3CN(C4=NN=C(CCC5=NN=N[N-]5)N4CC4CC4)C[C@@H]32)C=C1	REAL300020296695	1	54	-1.0	-42.96	417.87	11.34	-31.62
C1=CC=C([C@H]2C[C@@H]3CN(C4=NN=C(CC5=N[N-]N=N5)N4CC4CC4)C[C@@H]32)C=C1	REAL300020296696	0	51	-1.0	-44.09	408.58	10.68	-33.41
C1=CC=C([C@H]2C[C@@H]3CN(C4=NN=C(CC5=NN=N[N-]5)N4CC4CC4)C[C@@H]32)C=C1	REAL300020296696	1	51	-1.0	-44.09	408.64	10.71	-33.38
COC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296697	0	50	-1.0	-40.59	392.41	6.43	-34.16
COC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296697	1	50	-1.0	-40.58	392.47	6.44	-34.14
COC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296698	0	47	-1.0	-44.88	371.56	5.74	-39.14
COC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296698	1	47	-1.0	-44.86	371.62	5.76	-39.10
COC1CCC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296699	0	54	-1.0	-41.58	426.35	8.60	-32.98
COC1CCC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296699	1	54	-1.0	-41.60	426.40	8.59	-33.01
CC1CC(N2N=NC3=C2CN(C2=NN=C(CC4=N[N-]N=N4)N2CC2CC2)CC3)C1	REAL300020296700	0	53	-1.0	-42.42	422.81	8.35	-34.07
CC1CC(N2N=NC3=C2CN(C2=NN=C(CC4=NN=N[N-]4)N2CC2CC2)CC3)C1	REAL300020296700	1	53	-1.0	-42.43	422.86	8.38	-34.05
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296701	0	56	-1.0	-43.15	439.52	8.91	-34.24
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296701	1	56	-1.0	-43.19	439.58	8.93	-34.26
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296702	0	53	-1.0	-45.24	426.10	8.92	-36.32
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296702	1	53	-1.0	-45.28	426.16	8.93	-36.35
C1=NC(C2CC2)=NC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296703	0	52	-1.0	-41.92	417.62	9.48	-32.44
C1=NC(C2CC2)=NC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296703	1	52	-1.0	-41.93	417.68	9.50	-32.43
C1=NC(C2CC2)=NC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296704	0	49	-1.0	-43.65	404.93	8.64	-35.01
C1=NC(C2CC2)=NC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296704	1	49	-1.0	-43.64	404.99	8.67	-34.97
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCS1(=O)=O	REAL300020296705	0	46	-1.0	-45.37	387.30	4.44	-40.93
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCS1(=O)=O	REAL300020296705	1	46	-1.0	-45.40	387.35	4.46	-40.94
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCS1(=O)=O	REAL300020296706	0	43	-1.0	-47.83	359.39	3.78	-44.05
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCS1(=O)=O	REAL300020296706	1	43	-1.0	-47.80	359.44	3.79	-44.01
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCN1C1CC1	REAL300020296707	0	50	-1.0	-42.67	406.37	6.87	-35.80
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCN1C1CC1	REAL300020296707	1	50	-1.0	-42.67	406.43	6.88	-35.79
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCN1C1CC1	REAL300020296708	0	47	-1.0	-42.54	385.74	5.92	-36.62
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1C1CC1	REAL300020296708	1	47	-1.0	-42.54	385.80	5.95	-36.59
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296709	0	48	-1.0	-43.92	388.20	8.10	-35.82
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296709	1	48	-1.0	-43.97	388.25	8.11	-35.86
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296710	0	45	-1.0	-45.48	369.10	7.52	-37.96
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296710	1	45	-1.0	-45.43	369.04	7.49	-37.94
CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020296711	0	40	-1.0	-48.19	338.29	7.75	-40.44
CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020296711	1	40	-1.0	-48.16	338.23	7.73	-40.43
CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020296712	0	37	-1.0	-49.31	319.96	7.08	-42.23
CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020296712	1	37	-1.0	-49.29	319.90	7.05	-42.24
CN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C=N1	REAL300020296713	0	44	-1.0	-49.41	370.80	9.79	-39.62
CN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C=N1	REAL300020296713	1	44	-1.0	-49.42	370.75	9.80	-39.62
FC1=CC=CC(OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020296714	0	51	-1.0	-41.75	416.37	9.64	-32.11
FC1=CC=CC(OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020296714	1	51	-1.0	-41.73	416.42	9.66	-32.07
FC1=CC=CC(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020296715	0	48	-1.0	-45.86	390.08	8.89	-36.97
FC1=CC=CC(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020296715	1	48	-1.0	-45.86	390.09	8.91	-36.95
FC(F)(F)[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296716	0	46	-1.0	-40.71	382.07	8.51	-32.20
FC(F)(F)[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296716	1	46	-1.0	-40.70	382.12	8.53	-32.17
FC(F)(F)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296717	0	43	-1.0	-44.40	356.92	7.96	-36.44
FC(F)(F)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296717	1	43	-1.0	-44.44	356.97	7.98	-36.46
COC1=CC=CC=C1C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296718	0	52	-1.0	-47.25	414.90	7.79	-39.46
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CC(=O)N1CCOC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC21	REAL300020296728	0	52	-1.0	-50.48	397.24	5.41	-45.07
CC(=O)N1CCOC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC21	REAL300020296728	1	52	-1.0	-50.46	397.30	5.42	-45.04
CC(=O)N1CCOC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC21	REAL300020296729	0	49	-1.0	-55.54	376.75	5.17	-50.37
CC(=O)N1CCOC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC21	REAL300020296729	1	49	-1.0	-55.54	376.79	5.19	-50.35
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C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CSCC3C2)N1CC1CC1	REAL300020296731	0	45	-1.0	-45.12	368.96	8.56	-36.56
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CSCC3C2)N1CC1CC1	REAL300020296731	1	45	-1.0	-45.15	369.02	8.58	-36.57
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296732	0	49	-1.0	-39.67	400.49	10.93	-28.74
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296732	1	49	-1.0	-39.70	400.55	10.94	-28.76
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296733	0	46	-1.0	-40.29	382.27	10.25	-30.04
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296733	1	46	-1.0	-40.27	382.32	10.28	-29.99
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296734	0	53	-1.0	-43.16	420.66	8.69	-34.47
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296734	1	53	-1.0	-43.18	420.72	8.70	-34.48
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296735	0	50	-1.0	-44.43	404.60	8.15	-36.28
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296735	1	50	-1.0	-44.43	404.55	8.12	-36.31
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC21	REAL300020296736	0	53	0.0	-70.57	396.66	8.60	-61.97
C[N@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC21	REAL300020296736	1	53	0.0	-68.83	399.52	9.15	-59.68
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC21	REAL300020296736	1	53	0.0	-70.58	396.72	8.62	-61.96
C[N@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC21	REAL300020296736	1	53	0.0	-68.81	399.58	9.16	-59.65
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC21	REAL300020296737	0	50	0.0	-65.42	383.77	8.47	-56.95
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC21	REAL300020296737	1	50	0.0	-71.24	386.53	8.54	-62.70
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC21	REAL300020296737	1	50	0.0	-65.49	383.83	8.50	-56.99
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC21	REAL300020296737	1	50	0.0	-71.27	386.58	8.55	-62.72
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CC1(C)C(C2=CC=CC=C2F)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296741	1	53	-1.0	-45.62	411.77	9.78	-35.84
CN1CC[NH+](C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)CC1	REAL300020296742	0	58	0.0	-66.84	431.20	7.36	-59.48
CN1CC[NH+](C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)CC1	REAL300020296742	1	58	0.0	-66.86	431.25	7.38	-59.48
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O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCN1C1=CC=CC=C1	REAL300020296745	0	51	-1.0	-46.96	409.54	8.91	-38.05
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCN1C1=CC=CC=C1	REAL300020296745	1	51	-1.0	-46.94	409.60	8.93	-38.01
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCN1C1=CC=CC=C1	REAL300020296746	0	48	-1.0	-52.77	395.50	7.47	-45.30
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1C1=CC=CC=C1	REAL300020296746	1	48	-1.0	-52.78	395.55	7.49	-45.29
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC[N@@H+]1C	REAL300020296747	0	55	0.0	-65.81	416.00	9.26	-56.55
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC[N@H+]1C	REAL300020296747	1	55	0.0	-65.21	411.69	8.90	-56.31
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1C	REAL300020296747	1	55	0.0	-65.84	416.06	9.27	-56.57
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1C	REAL300020296747	1	55	0.0	-65.21	411.75	8.92	-56.29
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@@H+]1C	REAL300020296748	0	52	0.0	-70.20	392.07	8.62	-61.58
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@H+]1C	REAL300020296748	1	52	0.0	-67.34	388.92	8.10	-59.24
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1C	REAL300020296748	1	52	0.0	-70.22	392.13	8.64	-61.58
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1C	REAL300020296748	1	52	0.0	-67.38	388.98	8.11	-59.27
CC(C)(C)OC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296749	0	55	-1.0	-45.63	435.91	9.57	-36.06
CC(C)(C)OC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296749	1	55	-1.0	-45.59	435.96	9.58	-36.01
C(CC1=NN=C(N2CCCC(OC3CCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296750	0	57	-1.0	-39.26	442.04	9.71	-29.55
C(CC1=NN=C(N2CCCC(OC3CCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296750	1	57	-1.0	-39.23	442.09	9.73	-29.50
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(OC3CCC3)CC2)N1CC1CC1	REAL300020296751	0	54	-1.0	-41.30	409.35	9.09	-32.21
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(OC3CCC3)CC2)N1CC1CC1	REAL300020296751	1	54	-1.0	-41.27	409.41	9.11	-32.16
FC1(C2=CC=CC=C2)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296752	0	53	-1.0	-40.16	428.97	11.13	-29.03
FC1(C2=CC=CC=C2)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296752	1	53	-1.0	-40.16	429.03	11.15	-29.01
FC1(C2=CC=CC=C2)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296753	0	50	-1.0	-44.12	389.55	10.58	-33.54
FC1(C2=CC=CC=C2)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296753	1	50	-1.0	-44.11	389.61	10.59	-33.52
COC(=O)C1=NOC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C1	REAL300020296754	0	48	-1.0	-47.59	399.40	6.35	-41.24
COC(=O)C1=NOC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C1	REAL300020296754	1	48	-1.0	-47.56	399.46	6.38	-41.18
CC1(C(F)(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296755	0	47	-1.0	-41.93	382.17	7.21	-34.72
CC1(C(F)(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296755	1	47	-1.0	-41.90	382.23	7.22	-34.68
CC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296756	0	44	-1.0	-44.67	352.77	6.62	-38.05
CC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296756	1	44	-1.0	-44.64	352.83	6.63	-38.01
FC(F)COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296757	0	44	-1.0	-44.95	377.87	6.05	-38.90
FC(F)COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296757	1	44	-1.0	-44.98	377.93	6.06	-38.92
FC(F)COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296758	0	41	-1.0	-45.75	348.39	5.45	-40.30
FC(F)COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296758	1	41	-1.0	-45.79	348.43	5.47	-40.32
CCOC(=O)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296759	0	53	-1.0	-43.95	431.28	8.23	-35.72
CCOC(=O)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296759	1	53	-1.0	-43.98	431.34	8.24	-35.74
CCOC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296760	0	50	-1.0	-49.74	398.81	7.77	-41.97
CCOC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296760	1	50	-1.0	-49.74	398.85	7.78	-41.96
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296761	0	50	-1.0	-46.13	415.81	10.65	-35.48
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296761	1	50	-1.0	-46.15	415.87	10.67	-35.48
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296762	0	47	-1.0	-45.96	399.99	9.98	-35.98
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296762	1	47	-1.0	-46.01	400.07	10.01	-36.00
FCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020296763	0	43	-1.0	-43.09	369.32	9.83	-33.26
FCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020296763	1	43	-1.0	-43.10	369.26	9.81	-33.29
FCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020296764	0	40	-1.0	-46.43	339.87	9.22	-37.21
FCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020296764	1	40	-1.0	-46.40	339.83	9.20	-37.20
FCCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)=N1	REAL300020296765	0	47	-1.0	-45.01	394.52	11.64	-33.37
FCCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)=N1	REAL300020296765	1	47	-1.0	-44.99	394.47	11.64	-33.35
CC1CC(CO)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296766	0	50	-1.0	-41.47	379.69	5.52	-35.95
CC1CC(CO)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296766	1	50	-1.0	-41.48	379.74	5.53	-35.95
CC1CC(CO)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296767	0	47	-1.0	-44.52	367.18	4.72	-39.80
CC1CC(CO)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296767	1	47	-1.0	-44.50	367.23	4.75	-39.75
CC1CC(CO)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296768	0	54	-1.0	-42.93	407.40	7.48	-35.45
CC1CC(CO)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296768	1	54	-1.0	-42.93	407.44	7.47	-35.46
CC(C)CC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296769	0	56	-1.0	-48.14	423.89	9.46	-38.68
CC(C)CC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296769	1	56	-1.0	-48.16	423.95	9.50	-38.66
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COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296770	1	48	-1.0	-43.97	388.25	8.11	-35.86
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296771	0	45	-1.0	-45.48	369.10	7.52	-37.96
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296771	1	45	-1.0	-45.43	369.04	7.49	-37.94
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CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296772	1	47	-1.0	-45.58	373.68	12.05	-33.53
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296773	0	44	-1.0	-49.71	348.99	11.50	-38.21
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296773	1	44	-1.0	-49.74	348.93	11.48	-38.26
CC1=CC=CC2=C1CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296774	0	51	-1.0	-46.79	401.35	13.97	-32.82
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CC1(NC(=O)C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296775	1	47	-1.0	-41.25	392.83	5.48	-35.77
CC1(NC(=O)C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296775	1	47	-1.0	-41.22	392.89	5.51	-35.71
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296776	0	50	-1.0	-42.64	398.43	9.40	-33.24
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296776	1	50	-1.0	-42.64	398.48	9.42	-33.22
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296777	0	47	-1.0	-44.81	369.12	8.79	-36.02
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296777	1	47	-1.0	-44.86	369.18	8.80	-36.06
CC(C)(C)OC(=O)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296778	0	55	-1.0	-47.22	433.98	9.74	-37.48
CC(C)(C)OC(=O)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296778	1	55	-1.0	-47.19	434.03	9.76	-37.43
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296779	0	61	0.0	-70.40	443.97	9.93	-60.47
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296779	1	61	0.0	-70.43	444.03	9.94	-60.49
C1=CN=C(CCN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=N1	REAL300020296780	0	53	-1.0	-44.83	429.55	5.17	-39.66
C1=CN=C(CCN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=N1	REAL300020296780	1	53	-1.0	-44.89	429.61	5.18	-39.71
C1=CN=C(CC[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=N1	REAL300020296780	1	54	0.0	-74.36	422.24	7.89	-66.47
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020296781	0	44	-1.0	-38.97	366.71	8.06	-30.91
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020296781	1	44	-1.0	-38.96	366.77	8.07	-30.89
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020296782	0	41	-1.0	-40.52	347.09	7.32	-33.20
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020296782	1	41	-1.0	-40.47	347.15	7.35	-33.12
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCS1	REAL300020296783	0	48	-1.0	-41.32	387.67	10.23	-31.09
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCS1	REAL300020296783	1	48	-1.0	-41.30	387.70	10.22	-31.08
C(CC1=NN=C(N2CC3(C2)OCC2CC23)N1CC1CC1)C1=N[N-]N=N1	REAL300020296784	0	46	-1.0	-40.07	376.45	6.60	-33.47
C(CC1=NN=C(N2CC3(C2)OCC2CC23)N1CC1CC1)C1=NN=N[N-]1	REAL300020296784	1	46	-1.0	-40.09	376.51	6.61	-33.48
C(C1=N[N-]N=N1)C1=NN=C(N2CC3(C2)OCC2CC23)N1CC1CC1	REAL300020296785	0	43	-1.0	-41.14	355.12	5.80	-35.34
C(C1=NN=N[N-]1)C1=NN=C(N2CC3(C2)OCC2CC23)N1CC1CC1	REAL300020296785	1	43	-1.0	-41.12	355.17	5.83	-35.29
C1=CC(C2=NN=C(N3CC4(C3)OCC3CC34)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296786	0	50	-1.0	-41.75	401.42	8.43	-33.32
C1=CC(C2=NN=C(N3CC4(C3)OCC3CC34)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296786	1	50	-1.0	-41.73	401.45	8.42	-33.31
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2=CC=CN=C21	REAL300020296787	0	51	-1.0	-41.34	399.32	6.73	-34.61
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2=CC=CN=C21	REAL300020296787	1	51	-1.0	-41.34	399.37	6.74	-34.60
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2=CC=C[NH+]=C21	REAL300020296787	1	52	0.0	-61.95	398.50	7.64	-54.31
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2=CC=CN=C21	REAL300020296788	0	48	-1.0	-43.58	383.58	7.17	-36.41
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2=CC=CN=C21	REAL300020296788	1	48	-1.0	-43.60	383.63	7.19	-36.41
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2=CC=C[NH+]=C21	REAL300020296788	1	49	0.0	-61.40	369.07	7.05	-54.35
COCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCOCC1	REAL300020296789	0	54	-1.0	-42.92	414.82	5.45	-37.47
COCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCOCC1	REAL300020296789	1	54	-1.0	-42.92	414.88	5.47	-37.45
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCOCC1	REAL300020296790	0	51	-1.0	-47.38	391.10	4.97	-42.41
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCOCC1	REAL300020296790	1	51	-1.0	-47.35	391.16	4.98	-42.37
C1=CC2CC1CN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296791	0	42	-1.0	-42.32	326.53	7.32	-35.00
C1=CC2CC1CN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296791	1	42	-1.0	-42.33	326.59	7.34	-34.99
C1=CC2CC1CN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296792	0	46	-1.0	-43.34	366.38	9.69	-33.65
C1=CC2CC1CN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296792	1	46	-1.0	-43.38	366.43	9.68	-33.70
C(CC1=NN=C(N2CCC3(CCCCO3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296793	0	54	-1.0	-41.98	403.06	8.54	-33.44
C(CC1=NN=C(N2CCC3(CCCCO3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296793	1	54	-1.0	-41.99	403.12	8.56	-33.43
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCCO3)CC2)N1CC1CC1	REAL300020296794	0	51	-1.0	-43.93	391.86	7.69	-36.24
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCCCO3)CC2)N1CC1CC1	REAL300020296794	1	51	-1.0	-43.91	391.92	7.71	-36.20
C1=CC=C2C(=C1)[C@H]1CC[C@@H]2N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296795	0	51	-1.0	-43.03	399.12	10.70	-32.33
C1=CC=C2C(=C1)[C@H]1CC[C@@H]2N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296795	1	51	-1.0	-43.05	399.17	10.72	-32.33
C1=CC=C2C(=C1)[C@H]1CC[C@@H]2N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296796	0	48	-1.0	-44.65	363.64	9.63	-35.02
C1=CC=C2C(=C1)[C@H]1CC[C@@H]2N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296796	1	48	-1.0	-44.66	363.58	9.61	-35.05
COC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020296797	0	53	-1.0	-44.30	424.05	7.15	-37.15
COC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020296797	1	53	-1.0	-44.34	424.10	7.17	-37.17
C(CC1=NN=C(N2CCC3(CC2)COCCO3)N1CC1CC1)C1=N[N-]N=N1	REAL300020296798	0	52	-1.0	-42.69	402.05	6.94	-35.75
C(CC1=NN=C(N2CCC3(CC2)COCCO3)N1CC1CC1)C1=NN=N[N-]1	REAL300020296798	1	52	-1.0	-42.74	402.11	6.95	-35.79
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CC2)COCCO3)N1CC1CC1	REAL300020296799	0	49	-1.0	-43.97	385.15	5.96	-38.01
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CC2)COCCO3)N1CC1CC1	REAL300020296799	1	49	-1.0	-43.98	385.21	5.97	-38.01
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296800	0	48	-1.0	-41.99	372.07	9.53	-32.46
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296800	1	48	-1.0	-41.97	372.13	9.54	-32.43
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296801	0	45	-1.0	-44.60	346.35	9.08	-35.52
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296801	1	45	-1.0	-44.59	346.32	9.07	-35.52
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296802	0	52	-1.0	-43.79	400.19	11.46	-32.33
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296802	1	52	-1.0	-43.80	400.23	11.45	-32.35
COC1=CC=C(CN(CCO)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020296803	0	54	-1.0	-44.66	429.31	6.41	-38.25
COC1=CC=C(CN(CCO)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020296803	1	54	-1.0	-44.67	429.36	6.42	-38.25
COC1=CC=C(CN(CCO)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020296804	0	51	-1.0	-44.97	419.29	4.81	-40.16
COC1=CC=C(CN(CCO)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020296804	1	51	-1.0	-45.02	419.61	4.90	-40.12
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC(C3CCOCC3)C2)N1CC1CC1	REAL300020296805	0	57	-1.0	-44.10	419.63	8.86	-35.24
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC(C3CCOCC3)C2)N1CC1CC1	REAL300020296805	1	57	-1.0	-44.08	419.67	8.88	-35.20
CN(CC1=CC=NS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296806	0	42	-1.0	-41.96	358.02	7.29	-34.67
CN(CC1=CC=NS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296806	1	42	-1.0	-41.96	358.08	7.31	-34.65
CN(CC1=CC=NS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296807	0	39	-1.0	-41.44	347.49	6.50	-34.94
CN(CC1=CC=NS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296807	1	39	-1.0	-41.40	347.43	6.48	-34.92
CN(CC1=CC=NS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296808	0	46	-1.0	-43.80	382.10	9.10	-34.70
CN(CC1=CC=NS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296808	1	46	-1.0	-43.78	382.13	9.09	-34.69
FCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296809	0	43	-1.0	-39.77	355.54	7.54	-32.23
FCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296809	1	43	-1.0	-39.77	355.59	7.56	-32.21
FCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296810	0	40	-1.0	-44.70	330.24	6.99	-37.71
FCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296810	1	40	-1.0	-44.67	330.30	7.00	-37.67
FCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296811	0	47	-1.0	-42.37	379.54	9.73	-32.64
FCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296811	1	47	-1.0	-42.31	379.56	9.71	-32.60
COC1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296812	0	47	-1.0	-40.69	376.69	6.31	-34.38
COC1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296812	1	47	-1.0	-40.72	376.75	6.33	-34.39
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296813	0	44	-1.0	-46.34	363.97	5.85	-40.49
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296813	1	44	-1.0	-46.36	364.03	5.87	-40.49
FCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296814	0	46	-1.0	-40.30	360.46	8.36	-31.94
FCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296814	1	46	-1.0	-40.33	360.52	8.37	-31.96
FCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296815	0	43	-1.0	-45.81	335.04	7.90	-37.91
FCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296815	1	43	-1.0	-45.82	335.09	7.91	-37.91
FCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296816	0	50	-1.0	-45.16	388.69	10.30	-34.86
FCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296816	1	50	-1.0	-45.17	388.73	10.30	-34.87
FC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296817	0	43	-1.0	-40.22	343.91	7.88	-32.34
FC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296817	1	43	-1.0	-40.18	343.97	7.89	-32.29
FC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296818	0	40	-1.0	-40.40	332.43	7.03	-33.37
FC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296818	1	40	-1.0	-40.44	332.48	7.06	-33.38
FC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020296819	0	47	-1.0	-41.74	372.73	9.86	-31.88
FC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020296819	1	47	-1.0	-41.69	372.78	9.86	-31.83
CC(=O)N1C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@H]2C1	REAL300020296820	0	51	-1.0	-46.78	402.49	7.35	-39.43
CC(=O)N1C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@H]2C1	REAL300020296820	1	51	-1.0	-46.77	402.55	7.37	-39.40
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]2C1	REAL300020296821	0	48	-1.0	-51.23	380.98	6.62	-44.61
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]2C1	REAL300020296821	1	48	-1.0	-51.29	381.04	6.63	-44.66
C1=CSC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020296822	0	46	-1.0	-43.48	383.85	7.69	-35.79
C1=CSC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020296822	1	46	-1.0	-43.52	383.91	7.71	-35.81
C1=CSC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020296823	0	43	-1.0	-48.92	362.73	7.03	-41.89
C1=CSC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020296823	1	43	-1.0	-48.94	362.78	7.05	-41.89
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1C1=CC=CC=C1	REAL300020296824	0	56	-1.0	-41.04	429.96	11.20	-29.84
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1C1=CC=CC=C1	REAL300020296824	1	56	-1.0	-41.02	430.02	11.21	-29.81
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1C1=CC=CC=C1	REAL300020296825	0	53	-1.0	-42.81	417.35	11.03	-31.78
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1C1=CC=CC=C1	REAL300020296825	1	53	-1.0	-42.80	417.40	11.05	-31.75
FC1=CC2=C(C=C1F)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296826	0	47	-1.0	-41.26	388.22	10.00	-31.26
FC1=CC2=C(C=C1F)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296826	1	47	-1.0	-41.27	388.28	10.02	-31.25
FC1=CC2=C(C=C1F)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296827	0	44	-1.0	-42.88	358.81	9.41	-33.47
FC1=CC2=C(C=C1F)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296827	1	44	-1.0	-42.92	358.87	9.42	-33.50
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296828	0	53	-1.0	-40.21	407.91	10.12	-30.09
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296828	1	53	-1.0	-40.19	407.97	10.14	-30.05
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296829	0	50	-1.0	-43.36	378.55	9.54	-33.82
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296829	1	50	-1.0	-43.31	378.51	9.52	-33.79
CC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296830	0	56	0.0	-63.14	429.65	10.70	-52.44
CC(C1=CC=CC=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296830	1	55	-1.0	-42.72	430.47	8.96	-33.76
CC(C1=CC=CC=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296830	1	55	-1.0	-42.73	430.52	8.99	-33.74
COC1COCCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296831	0	51	-1.0	-42.39	387.87	5.01	-37.38
COC1COCCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296831	1	51	-1.0	-42.38	387.93	5.03	-37.35
COC1COCCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296832	0	48	-1.0	-45.80	380.69	4.50	-41.30
COC1COCCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296832	1	48	-1.0	-45.82	380.76	4.52	-41.30
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296833	0	62	0.0	-66.62	425.40	9.90	-56.72
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296833	1	62	0.0	-66.68	425.46	9.92	-56.76
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020296834	0	52	0.0	-64.47	392.36	8.81	-55.66
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020296834	1	52	0.0	-68.60	381.46	8.20	-60.40
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020296834	1	51	-1.0	-39.89	378.72	5.88	-34.01
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020296834	1	51	-1.0	-39.95	378.78	5.90	-34.05
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020296835	0	49	0.0	-61.74	372.98	8.07	-53.67
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020296835	1	49	0.0	-62.95	355.35	8.07	-54.88
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020296835	1	49	0.0	-61.80	373.03	8.09	-53.71
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020296835	1	49	0.0	-63.02	355.43	8.09	-54.93
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020296835	1	48	-1.0	-42.85	349.27	5.28	-37.57
C[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1(C)C	REAL300020296836	0	56	0.0	-73.97	404.59	9.90	-64.07
C[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1(C)C	REAL300020296836	1	56	0.0	-73.99	404.55	9.91	-64.08
CN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1(C)C	REAL300020296836	1	55	-1.0	-41.93	404.15	7.73	-34.20
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296837	0	53	-1.0	-41.33	420.04	9.13	-32.20
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296837	1	53	-1.0	-41.28	420.10	9.15	-32.13
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296838	0	50	-1.0	-42.16	397.19	8.29	-33.87
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296838	1	50	-1.0	-42.18	397.25	8.31	-33.87
CCCCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296839	0	63	-1.0	-41.23	491.21	12.82	-28.41
CCCCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296839	1	63	-1.0	-41.24	491.27	12.85	-28.39
COC(=O)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020296840	0	50	-1.0	-46.66	396.95	9.29	-37.37
COC(=O)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020296840	1	50	-1.0	-46.69	396.98	9.31	-37.38
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296841	0	48	-1.0	-50.53	409.29	6.75	-43.78
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296841	1	48	-1.0	-50.58	409.35	6.77	-43.81
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296842	0	45	-1.0	-52.77	385.61	6.03	-46.74
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296842	1	45	-1.0	-52.84	385.67	6.06	-46.78
CC1C2=C(C=CS2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296843	0	47	-1.0	-40.30	389.45	8.83	-31.47
CC1C2=C(C=CS2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296843	1	47	-1.0	-40.31	389.52	8.84	-31.47
CC1C2=C(C=CS2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296844	0	44	-1.0	-43.26	364.64	7.84	-35.42
CC1C2=C(C=CS2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296844	1	44	-1.0	-43.29	364.58	7.82	-35.47
COC(=O)CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296845	0	55	-1.0	-46.61	434.31	9.83	-36.78
COC(=O)CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296845	1	55	-1.0	-46.61	434.36	9.84	-36.77
COC(=O)CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296846	0	52	-1.0	-48.13	416.10	9.15	-38.98
COC(=O)CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296846	1	52	-1.0	-48.14	416.16	9.18	-38.96
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296847	0	51	-1.0	-44.30	404.70	5.10	-39.20
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296847	1	51	-1.0	-44.32	404.76	5.12	-39.20
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296848	0	48	-1.0	-46.72	375.21	4.50	-42.22
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296848	1	48	-1.0	-46.71	375.26	4.53	-42.18
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296849	0	55	-1.0	-40.67	437.35	8.49	-32.18
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296849	1	55	-1.0	-40.66	437.40	8.51	-32.15
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296850	0	52	-1.0	-43.87	392.47	8.64	-35.23
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296850	1	52	-1.0	-43.82	392.51	8.67	-35.15
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCCN1	REAL300020296851	0	44	-1.0	-43.28	354.06	4.46	-38.82
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCCN1	REAL300020296851	1	44	-1.0	-43.27	354.12	4.48	-38.79
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCCN1	REAL300020296852	0	41	-1.0	-45.82	334.24	3.75	-42.07
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCCN1	REAL300020296852	1	41	-1.0	-45.82	334.20	3.72	-42.10
O=C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCCN1	REAL300020296853	0	48	-1.0	-44.68	382.71	6.25	-38.43
O=C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCCN1	REAL300020296853	1	48	-1.0	-44.70	382.66	6.24	-38.46
C(CC1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296854	0	45	-1.0	-40.50	356.30	5.91	-34.59
C(CC1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296854	1	45	-1.0	-40.55	356.35	5.92	-34.63
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1CC1CC1	REAL300020296855	0	42	-1.0	-43.16	333.51	5.26	-37.90
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1CC1CC1	REAL300020296855	1	42	-1.0	-43.11	333.56	5.28	-37.83
C1=CC(C2=NN=C(N3C[C@@H]4COC[C@@H]4C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296856	0	49	-1.0	-41.98	389.79	7.94	-34.04
C1=CC(C2=NN=C(N3C[C@@H]4COC[C@@H]4C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296856	1	49	-1.0	-42.30	388.71	7.98	-34.32
FC1=CC=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020296857	0	53	-1.0	-41.44	428.36	11.42	-30.02
FC1=CC=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020296857	1	53	-1.0	-41.39	428.41	11.43	-29.96
FC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020296858	0	50	-1.0	-44.78	400.90	10.77	-34.01
FC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020296858	1	50	-1.0	-44.78	400.94	10.78	-34.00
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CN1N=NN=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296860	1	48	-1.0	-50.90	387.19	6.66	-44.24
O=C1NCCC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020296861	0	51	-1.0	-50.68	401.13	5.70	-44.98
O=C1NCCC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020296861	1	51	-1.0	-50.70	401.18	5.71	-44.99
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C(C1=N[N-]N=N1)C1=NN=C(N2CCOC(C3=NOC(C4CC4)=N3)C2)N1CC1CC1	REAL300020296863	0	50	-1.0	-51.28	419.65	5.36	-45.92
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC(C3=NOC(C4CC4)=N3)C2)N1CC1CC1	REAL300020296863	1	50	-1.0	-51.32	419.69	5.38	-45.94
FC1=CC=C(O[C@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020296864	0	51	-1.0	-42.69	413.34	9.50	-33.19
FC1=CC=C(O[C@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020296864	1	51	-1.0	-42.77	413.40	9.51	-33.26
FC1=CC=C(O[C@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020296865	0	48	-1.0	-47.57	392.10	8.83	-38.74
FC1=CC=C(O[C@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020296865	1	48	-1.0	-47.60	392.16	8.84	-38.76
CC(C)C1=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=NN1	REAL300020296866	0	56	-1.0	-50.45	445.20	8.89	-41.56
CC(C)C1=NNC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020296866	1	56	-1.0	-44.81	442.39	8.89	-35.92
CC(C)C1=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=NN1	REAL300020296866	1	56	-1.0	-50.42	445.25	8.91	-41.51
CC(C)C1=NNC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020296866	1	56	-1.0	-44.75	442.45	8.92	-35.83
CC1(C)OC[C@@H]([C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCO2)O1	REAL300020296867	0	53	-1.0	-45.88	420.33	6.10	-39.78
CC1(C)OC[C@@H]([C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCO2)O1	REAL300020296867	1	53	-1.0	-45.91	420.39	6.12	-39.79
CONC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296868	0	51	-1.0	-49.48	408.37	6.93	-42.55
CONC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296868	1	51	-1.0	-49.52	408.42	6.94	-42.58
CONC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296869	0	48	-1.0	-53.03	386.81	6.14	-46.89
CONC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296869	1	48	-1.0	-53.00	386.85	6.16	-46.84
CC1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296870	0	46	-1.0	-40.53	372.85	8.12	-32.41
CC1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296870	1	46	-1.0	-40.52	372.91	8.14	-32.38
CC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296871	0	43	-1.0	-45.73	352.66	7.67	-38.06
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CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2=CC=CC=C21	REAL300020296872	0	50	-1.0	-40.89	388.88	9.75	-31.14
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2=CC=CC=C21	REAL300020296872	1	50	-1.0	-40.90	388.94	9.76	-31.14
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2=CC=CC=C21	REAL300020296873	0	47	-1.0	-42.01	380.66	9.71	-32.30
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2=CC=CC=C21	REAL300020296873	1	47	-1.0	-42.00	380.60	9.68	-32.32
N#CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=N1	REAL300020296874	0	49	-1.0	-45.33	410.48	6.36	-38.97
N#CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=N1	REAL300020296874	1	49	-1.0	-45.36	410.43	6.34	-39.02
CCOC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC12COC2	REAL300020296875	0	51	-1.0	-45.68	410.24	6.48	-39.20
CCOC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC12COC2	REAL300020296875	1	51	-1.0	-45.68	410.30	6.50	-39.18
O=S1(=O)CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2C1	REAL300020296876	0	50	-1.0	-49.17	408.02	5.35	-43.82
O=S1(=O)CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2C1	REAL300020296876	1	50	-1.0	-49.19	408.08	5.36	-43.83
O=S1(=O)CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2C1	REAL300020296877	0	47	-1.0	-52.24	386.82	4.70	-47.54
O=S1(=O)CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2C1	REAL300020296877	1	47	-1.0	-52.23	386.88	4.72	-47.51
CC1=CSC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020296878	0	49	-1.0	-43.58	406.74	8.30	-35.28
CC1=CSC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020296878	1	49	-1.0	-43.61	406.80	8.31	-35.30
CC1=CSC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020296879	0	46	-1.0	-44.02	386.32	7.46	-36.56
CC1=CSC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020296879	1	46	-1.0	-44.01	386.37	7.49	-36.52
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@@]1(C)CS(=O)(=O)C2	REAL300020296880	0	50	-1.0	-58.35	394.77	4.70	-53.65
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@@]1(C)CS(=O)(=O)C2	REAL300020296880	1	50	-1.0	-58.30	394.83	4.73	-53.57
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CS(=N)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296881	1	49	-1.0	-51.31	402.18	3.36	-47.95
CS(=N)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296882	0	46	-1.0	-53.62	380.62	2.55	-51.07
CS(=N)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296882	1	46	-1.0	-53.60	380.68	2.58	-51.02
FC(F)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296883	0	44	-1.0	-43.84	370.80	6.48	-37.36
FC(F)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296883	1	44	-1.0	-43.86	370.86	6.49	-37.37
FC(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296884	0	41	-1.0	-41.40	347.52	5.71	-35.69
FC(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296884	1	41	-1.0	-41.40	347.58	5.74	-35.66
O=S1(=O)CC2(C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296885	0	47	-1.0	-47.40	381.54	4.74	-42.66
O=S1(=O)CC2(C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296885	1	47	-1.0	-47.42	381.60	4.76	-42.66
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296886	0	44	-1.0	-48.61	365.94	4.08	-44.53
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296886	1	44	-1.0	-48.63	365.99	4.10	-44.53
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296887	0	62	0.0	-66.32	434.61	10.47	-55.85
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296887	1	62	0.0	-66.32	434.67	10.48	-55.84
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296888	0	59	0.0	-66.19	416.86	9.83	-56.36
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296888	1	59	0.0	-66.19	416.92	9.84	-56.35
CC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296889	0	48	-1.0	-44.83	381.56	8.25	-36.58
CC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296889	1	48	-1.0	-44.79	381.62	8.27	-36.52
CC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296890	0	45	-1.0	-45.08	351.86	7.65	-37.43
CC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296890	1	45	-1.0	-45.06	351.88	7.67	-37.39
CC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020296891	0	52	-1.0	-46.15	405.54	10.06	-36.09
CC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020296891	1	52	-1.0	-46.17	405.58	10.05	-36.12
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296892	0	49	-1.0	-41.62	414.41	10.55	-31.07
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296892	1	49	-1.0	-41.67	414.47	10.56	-31.11
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296893	0	46	-1.0	-42.17	392.45	9.75	-32.42
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296893	1	46	-1.0	-42.20	392.51	9.77	-32.43
CC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296894	0	48	-1.0	-47.74	391.80	8.17	-39.57
CC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296894	1	48	-1.0	-47.76	391.86	8.19	-39.57
CC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296895	0	45	-1.0	-53.77	368.99	7.38	-46.39
CC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296895	1	45	-1.0	-53.78	369.05	7.39	-46.39
CC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296896	0	52	-1.0	-48.77	413.28	10.08	-38.69
CC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296896	1	52	-1.0	-48.73	413.35	10.06	-38.67
CC(C)(O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296897	0	53	-1.0	-42.72	410.34	6.35	-36.37
CC(C)(O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296897	1	53	-1.0	-42.72	410.39	6.36	-36.36
CC(C)(O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296898	0	50	-1.0	-41.92	385.99	5.76	-36.16
CC(C)(O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296898	1	50	-1.0	-41.94	386.05	5.78	-36.16
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C(C)(C)C	REAL300020296899	0	54	-1.0	-41.44	403.46	9.50	-31.94
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C(C)(C)C	REAL300020296899	1	54	-1.0	-41.45	403.52	9.52	-31.93
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C(C)(C)C	REAL300020296900	0	51	-1.0	-47.68	386.71	8.64	-39.04
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C(C)(C)C	REAL300020296900	1	51	-1.0	-47.75	386.77	8.66	-39.09
CC(CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C(C)(C)C	REAL300020296901	0	58	-1.0	-42.93	426.93	11.30	-31.63
CC(CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C(C)(C)C	REAL300020296901	1	58	-1.0	-42.94	426.97	11.29	-31.65
OCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296902	0	48	-1.0	-43.16	383.79	3.62	-39.54
OCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296902	1	48	-1.0	-43.17	383.85	3.64	-39.53
OCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020296903	0	45	-1.0	-44.42	365.61	2.94	-41.48
OCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020296903	1	45	-1.0	-44.41	365.66	2.96	-41.45
OCCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020296904	0	52	-1.0	-44.60	411.84	5.56	-39.04
OCCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020296904	1	52	-1.0	-44.62	411.87	5.55	-39.07
OCC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296905	0	51	-1.0	-42.69	399.30	3.54	-39.15
OCC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296905	1	51	-1.0	-42.66	399.36	3.55	-39.11
OCC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296906	0	48	-1.0	-45.67	377.81	2.75	-42.92
OCC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296906	1	48	-1.0	-45.66	377.86	2.77	-42.89
CC(=O)NC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020296907	0	51	-1.0	-48.45	401.94	8.18	-40.27
CC(=O)NC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020296907	1	51	-1.0	-48.50	401.96	8.20	-40.30
C1=CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020296908	0	45	-1.0	-40.60	371.59	8.64	-31.96
C1=CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020296908	1	45	-1.0	-40.60	371.65	8.65	-31.95
C1=CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020296909	0	42	-1.0	-43.50	332.02	8.12	-35.38
C1=CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020296909	1	42	-1.0	-43.48	331.96	8.10	-35.38
C1=CN2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CC3CC3)CC2=C1	REAL300020296910	0	49	-1.0	-42.59	385.16	10.50	-32.09
C1=CN2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CC3CC3)CC2=C1	REAL300020296910	1	49	-1.0	-42.58	385.19	10.48	-32.10
CN1C=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020296911	0	53	-1.0	-45.05	426.77	9.04	-36.01
CN1C=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020296911	1	53	-1.0	-45.06	426.83	9.06	-36.00
CN1C=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020296912	0	50	-1.0	-48.44	389.37	8.35	-40.09
CN1C=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020296912	1	50	-1.0	-48.44	389.41	8.36	-40.08
N#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296913	0	44	-1.0	-43.98	367.93	7.98	-36.00
N#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296913	1	44	-1.0	-43.99	367.99	8.00	-35.99
N#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296914	0	41	-1.0	-48.97	345.13	7.19	-41.78
N#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296914	1	41	-1.0	-48.96	345.18	7.20	-41.76
N#CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296915	0	48	-1.0	-47.18	381.90	9.85	-37.33
N#CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296915	1	48	-1.0	-47.15	381.93	9.84	-37.31
C(CC1=NN=C(N2CCC(C3CCCO3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296916	0	51	-1.0	-43.92	398.80	8.01	-35.91
C(CC1=NN=C(N2CCC(C3CCCO3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296916	1	51	-1.0	-43.94	398.85	8.02	-35.92
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCO3)C2)N1CC1CC1	REAL300020296917	0	48	-1.0	-45.75	373.89	7.35	-38.40
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCO3)C2)N1CC1CC1	REAL300020296917	1	48	-1.0	-45.78	373.95	7.37	-38.41
FC1(F)C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2C1(F)F	REAL300020296918	0	44	-1.0	-45.05	368.73	8.24	-36.81
FC1(F)C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2C1(F)F	REAL300020296918	1	44	-1.0	-45.04	368.78	8.26	-36.78
FC1(F)C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2C1(F)F	REAL300020296919	0	41	-1.0	-50.32	338.62	7.19	-43.13
FC1(F)C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2C1(F)F	REAL300020296919	1	41	-1.0	-50.34	338.68	7.20	-43.14
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1C1=CC=CC=C1	REAL300020296920	0	53	-1.0	-42.20	418.09	11.51	-30.69
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1C1=CC=CC=C1	REAL300020296920	1	53	-1.0	-42.19	418.15	11.53	-30.66
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1C1=CC=CC=C1	REAL300020296921	0	50	-1.0	-47.75	392.99	10.81	-36.94
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1C1=CC=CC=C1	REAL300020296921	1	50	-1.0	-47.74	392.93	10.78	-36.96
FC1=CC=CC(F)=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296922	0	47	-1.0	-45.49	384.70	9.72	-35.77
FC1=CC=CC(F)=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296922	1	47	-1.0	-45.51	384.75	9.74	-35.77
COC(=O)N[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296923	0	48	-1.0	-45.26	392.41	4.92	-40.34
COC(=O)N[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296923	1	48	-1.0	-45.26	392.47	4.93	-40.33
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296924	0	45	-1.0	-49.17	368.07	4.14	-45.03
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296924	1	45	-1.0	-49.19	368.13	4.16	-45.03
C(CC1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296925	0	45	-1.0	-40.74	353.41	6.19	-34.55
C(CC1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296925	1	45	-1.0	-40.74	353.46	6.21	-34.53
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1CC1CC1	REAL300020296926	0	42	-1.0	-48.10	326.47	5.73	-42.37
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1CC1CC1	REAL300020296926	1	42	-1.0	-48.11	326.50	5.74	-42.37
C1=CC(C2=NN=C(N3C[C@H]4CCO[C@H]4C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296927	0	49	-1.0	-42.26	376.76	7.95	-34.31
C1=CC(C2=NN=C(N3C[C@H]4CCO[C@H]4C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296927	1	49	-1.0	-42.30	376.78	7.94	-34.36
FC[C@]12CC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296928	0	47	-1.0	-43.95	370.96	9.22	-34.73
FC[C@]12CC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296928	1	47	-1.0	-43.97	371.02	9.24	-34.73
FC[C@]12CC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296929	0	44	-1.0	-44.60	352.59	8.55	-36.05
FC[C@]12CC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296929	1	44	-1.0	-44.57	352.65	8.57	-36.00
FC[C@]12CC[C@H]1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CC1CC1)C2	REAL300020296930	0	51	-1.0	-45.45	398.55	10.59	-34.86
FC[C@]12CC[C@H]1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CC1CC1)C2	REAL300020296930	1	51	-1.0	-45.45	398.59	10.59	-34.86
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1CC	REAL300020296931	0	52	-1.0	-44.40	419.10	8.98	-35.42
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1CC	REAL300020296931	1	52	-1.0	-44.39	419.15	8.99	-35.40
C1=CC=C([C@@]23COC[C@@H]2CN(C2=NN=C(CC4=N[N-]N=N4)N2CC2CC2)C3)C=C1	REAL300020296932	0	52	-1.0	-44.07	408.41	8.63	-35.44
C1=CC=C([C@@]23COC[C@@H]2CN(C2=NN=C(CC4=NN=N[N-]4)N2CC2CC2)C3)C=C1	REAL300020296932	1	52	-1.0	-44.05	408.47	8.65	-35.40
COCCN(CC1=CC=C(C)C=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296933	0	56	-1.0	-44.33	444.96	9.09	-35.24
COCCN(CC1=CC=C(C)C=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296933	1	56	-1.0	-44.33	445.02	9.12	-35.21
FC1(F)CC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C1(F)F	REAL300020296934	0	44	-1.0	-40.11	369.90	8.30	-31.81
FC1(F)CC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C1(F)F	REAL300020296934	1	44	-1.0	-40.12	369.96	8.32	-31.80
C(CC1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020296935	0	45	-1.0	-41.44	365.29	8.32	-33.12
C(CC1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020296935	1	45	-1.0	-41.49	365.35	8.33	-33.16
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1CC1CC1	REAL300020296936	0	42	-1.0	-42.81	343.79	7.53	-35.28
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1CC1CC1	REAL300020296936	1	42	-1.0	-42.77	343.85	7.55	-35.22
C1=CC(C2=NN=C(N3C[C@@H]4CSC[C@@H]4C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020296937	0	49	-1.0	-43.22	394.40	10.26	-32.96
C1=CC(C2=NN=C(N3C[C@@H]4CSC[C@@H]4C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020296937	1	49	-1.0	-43.22	394.43	10.25	-32.97
CC1=NC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=NO1	REAL300020296938	0	48	-1.0	-45.12	392.33	5.74	-39.38
CC1=NC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=NO1	REAL300020296938	1	48	-1.0	-45.09	392.38	5.76	-39.33
CC1=NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=NO1	REAL300020296939	0	45	-1.0	-45.23	374.22	5.21	-40.02
CC1=NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=NO1	REAL300020296939	1	45	-1.0	-45.22	374.27	5.24	-39.98
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@@H]21	REAL300020296940	0	53	-1.0	-43.65	419.68	9.96	-33.69
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@@H]21	REAL300020296940	1	53	-1.0	-43.66	419.74	9.97	-33.69
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@@H]21	REAL300020296941	0	50	-1.0	-50.15	399.59	8.94	-41.21
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@@H]21	REAL300020296941	1	50	-1.0	-50.17	399.65	8.96	-41.21
FC(F)(F)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020296942	0	44	-1.0	-40.84	383.74	8.60	-32.24
FC(F)(F)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020296942	1	44	-1.0	-40.82	383.80	8.61	-32.21
FC(F)(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCS1	REAL300020296943	0	41	-1.0	-42.73	353.47	7.85	-34.88
FC(F)(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCS1	REAL300020296943	1	41	-1.0	-42.70	353.54	7.88	-34.82
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296944	0	52	-1.0	-45.09	426.71	9.04	-36.05
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296944	1	52	-1.0	-45.10	426.77	9.06	-36.04
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296945	0	49	-1.0	-46.36	405.21	8.26	-38.10
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296945	1	49	-1.0	-46.39	405.26	8.29	-38.10
C1=CC=C(CCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020296946	0	56	-1.0	-44.47	428.69	12.23	-32.24
C1=CC=C(CCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296946	1	56	-1.0	-44.45	428.73	12.25	-32.20
CC(C)C1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296947	0	56	-1.0	-44.17	412.63	10.47	-33.70
CC(C)C1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296947	1	56	-1.0	-44.21	412.66	10.49	-33.72
FC(F)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCC1	REAL300020296948	0	46	-1.0	-41.11	358.18	8.63	-32.48
FC(F)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCC1	REAL300020296948	1	46	-1.0	-41.13	358.24	8.64	-32.49
FC(F)CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCC1	REAL300020296949	0	43	-1.0	-47.90	348.35	6.81	-41.09
FC(F)CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCC1	REAL300020296949	1	43	-1.0	-47.89	348.40	6.83	-41.06
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296950	0	52	-1.0	-42.31	424.12	6.89	-35.42
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296950	1	52	-1.0	-42.34	424.18	6.91	-35.43
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296951	0	49	-1.0	-45.55	386.37	6.41	-39.14
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296951	1	49	-1.0	-45.56	386.43	6.42	-39.14
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296952	0	47	-1.0	-40.49	370.17	6.79	-33.70
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296952	1	47	-1.0	-40.48	370.23	6.80	-33.68
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296953	0	44	-1.0	-42.31	340.70	6.20	-36.11
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296953	1	44	-1.0	-42.28	340.72	6.21	-36.07
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020296954	0	51	-1.0	-42.29	394.38	8.60	-33.69
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020296954	1	51	-1.0	-42.32	394.41	8.59	-33.73
C1=CC=C(OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020296955	0	54	-1.0	-41.01	423.89	10.20	-30.81
C1=CC=C(OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296955	1	54	-1.0	-41.03	423.95	10.21	-30.82
C1=CC=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020296956	0	51	-1.0	-43.49	406.22	9.70	-33.79
C1=CC=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020296956	1	51	-1.0	-43.52	406.26	9.70	-33.82
C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCCN2N=N1	REAL300020296957	0	46	-1.0	-42.67	378.29	6.22	-36.45
C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCCN2N=N1	REAL300020296957	1	46	-1.0	-42.68	378.35	6.24	-36.44
C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCCN2N=N1	REAL300020296958	0	43	-1.0	-44.16	350.46	5.58	-38.58
C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCCN2N=N1	REAL300020296958	1	43	-1.0	-44.12	350.40	5.56	-38.56
FC(F)(F)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296959	0	50	-1.0	-40.41	403.06	9.53	-30.88
FC(F)(F)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296959	1	50	-1.0	-40.41	403.11	9.55	-30.86
FC(F)(F)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020296960	0	47	-1.0	-44.42	368.82	8.90	-35.52
FC(F)(F)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020296960	1	47	-1.0	-44.41	368.86	8.93	-35.48
COCCN(CC1=CC=C(C)C(C)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296961	0	56	-1.0	-46.38	448.06	9.06	-37.32
COCCN(CC1=CC=C(C)C(C)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296961	1	56	-1.0	-46.40	448.13	9.07	-37.33
CC1(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)COC(=O)N1	REAL300020296962	0	52	-1.0	-51.94	399.37	6.03	-45.91
CC1(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)COC(=O)N1	REAL300020296962	1	52	-1.0	-51.95	399.42	6.04	-45.91
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C	REAL300020296963	0	52	-1.0	-43.08	421.08	8.91	-34.17
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C	REAL300020296963	1	52	-1.0	-43.09	421.14	8.93	-34.16
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C	REAL300020296964	0	49	-1.0	-50.78	390.22	7.76	-43.02
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C	REAL300020296964	1	49	-1.0	-50.80	390.28	7.79	-43.01
CC1=CSC(CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020296965	0	52	-1.0	-45.29	424.69	8.96	-36.33
CC1=CSC(CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020296965	1	52	-1.0	-45.29	424.74	8.99	-36.30
C1=CC=C(NC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)N=C1	REAL300020296966	0	54	-1.0	-41.61	430.03	8.83	-32.78
C1=CC=C(NC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)N=C1	REAL300020296966	1	54	-1.0	-41.57	430.09	8.85	-32.72
C1=CC=C(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)N=C1	REAL300020296967	0	51	-1.0	-45.39	402.48	8.16	-37.23
C1=CC=C(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)N=C1	REAL300020296967	1	51	-1.0	-45.35	402.53	8.18	-37.17
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296968	0	59	0.0	-67.67	422.86	10.13	-57.54
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296968	1	59	0.0	-67.71	422.92	10.14	-57.57
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296969	0	56	0.0	-64.33	404.68	8.63	-55.70
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296969	1	56	0.0	-64.33	404.74	8.65	-55.68
CC1(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)COC(=O)N1	REAL300020296970	0	52	-1.0	-49.10	404.16	5.26	-43.84
CC1(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)COC(=O)N1	REAL300020296970	1	52	-1.0	-49.13	404.22	5.27	-43.86
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296971	0	52	-1.0	-39.68	395.69	9.10	-30.58
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296971	1	52	-1.0	-39.66	395.75	9.11	-30.55
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296972	0	49	-1.0	-44.61	375.94	8.39	-36.22
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296972	1	49	-1.0	-44.63	375.99	8.41	-36.22
C[C@@H]1C[C@H](C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020296973	0	56	-1.0	-42.96	414.37	10.58	-32.38
C[C@@H]1C[C@H](C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020296973	1	56	-1.0	-42.94	414.39	10.57	-32.37
CC(C)OC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296974	0	55	-1.0	-43.01	434.35	10.03	-32.98
CC(C)OC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296974	1	55	-1.0	-43.01	434.41	10.04	-32.97
CC(C)OC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296975	0	52	-1.0	-44.10	404.87	9.45	-34.65
CC(C)OC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296975	1	52	-1.0	-44.08	404.91	9.46	-34.62
CN1C=CC(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020296976	0	53	-1.0	-45.23	427.18	8.83	-36.40
CN1C=CC(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020296976	1	53	-1.0	-45.23	427.24	8.84	-36.39
CN1C=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020296977	0	50	-1.0	-52.48	405.66	8.28	-44.20
CN1C=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020296977	1	50	-1.0	-52.48	405.72	8.29	-44.19
C1=CSC(CC2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020296978	0	52	-1.0	-41.45	422.06	9.29	-32.16
C1=CSC(CC2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020296978	1	52	-1.0	-41.46	422.11	9.30	-32.16
C1=CSC(CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020296979	0	49	-1.0	-44.49	409.52	8.42	-36.07
C1=CSC(CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020296979	1	49	-1.0	-44.53	409.58	8.43	-36.10
OCCOCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296980	0	55	-1.0	-44.15	439.83	2.67	-41.48
OCCOCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296980	1	55	-1.0	-44.16	439.89	2.69	-41.47
OCCOCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296981	0	52	-1.0	-46.92	420.99	1.69	-45.23
OCCOCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296981	1	52	-1.0	-46.90	421.05	1.72	-45.18
C=CCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296982	0	51	-1.0	-42.38	405.31	6.35	-36.03
C=CCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296982	1	51	-1.0	-42.39	405.37	6.37	-36.02
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296983	0	48	-1.0	-45.43	375.42	5.69	-39.74
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296983	1	48	-1.0	-45.39	375.48	5.72	-39.67
CN(CCCF)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296984	0	42	-1.0	-40.79	341.64	7.38	-33.41
CN(CCCF)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296984	1	42	-1.0	-40.77	341.70	7.40	-33.37
CN(CCCF)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020296985	0	46	-1.0	-42.67	365.71	9.18	-33.49
CN(CCCF)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020296985	1	46	-1.0	-42.67	365.75	9.17	-33.50
O=C1NCCN1CCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020296986	0	50	-1.0	-55.21	418.48	7.59	-47.62
O=C1NCCN1CCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020296986	1	50	-1.0	-55.16	418.42	7.58	-47.58
FC1=CC=CC(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2CCC2)=C1	REAL300020296987	0	53	-1.0	-41.18	416.30	11.18	-30.00
FC1=CC=CC(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2CCC2)=C1	REAL300020296987	1	53	-1.0	-41.16	416.36	11.19	-29.97
FC1=CC=CC(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CCC2)=C1	REAL300020296988	0	50	-1.0	-43.72	408.72	10.09	-33.63
FC1=CC=CC(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CCC2)=C1	REAL300020296988	1	50	-1.0	-43.73	408.78	10.11	-33.62
C1=NN(C2CCCC2)C=C1NC1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296989	0	50	-1.0	-46.62	401.18	10.40	-36.22
C1=NN(C2CCCC2)C=C1NC1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296989	1	50	-1.0	-46.62	401.12	10.38	-36.24
C1=NN(C2CCCC2)C=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296990	0	47	-1.0	-47.77	382.85	9.73	-38.04
C1=NN(C2CCCC2)C=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296990	1	47	-1.0	-47.78	382.79	9.71	-38.07
FC(F)(F)OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296991	0	47	-1.0	-39.64	386.07	7.28	-32.36
FC(F)(F)OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296991	1	47	-1.0	-39.64	386.13	7.29	-32.35
FC(F)(F)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020296992	0	44	-1.0	-41.49	356.60	6.68	-34.81
FC(F)(F)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020296992	1	44	-1.0	-41.51	356.62	6.70	-34.81
CC1=NC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=NO1	REAL300020296993	0	54	-1.0	-44.77	429.05	7.53	-37.24
CC1=NC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=NO1	REAL300020296993	1	54	-1.0	-44.83	429.11	7.54	-37.29
CC1=NC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=NO1	REAL300020296994	0	51	-1.0	-47.31	407.50	6.74	-40.57
CC1=NC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=NO1	REAL300020296994	1	51	-1.0	-47.30	407.54	6.77	-40.53
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020296995	0	56	-1.0	-40.73	428.43	10.27	-30.46
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020296995	1	56	-1.0	-40.72	428.49	10.28	-30.44
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020296996	0	53	-1.0	-44.44	396.93	9.61	-34.83
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020296996	1	53	-1.0	-44.44	396.97	9.63	-34.81
CC(C)C1=NN=C2C(C)N(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCN12	REAL300020296997	0	55	-1.0	-49.02	434.38	8.65	-40.37
CC(C)C1=NN=C2C(C)N(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCN12	REAL300020296997	1	55	-1.0	-49.07	434.44	8.67	-40.40
CC(C)C1=NN=C2C(C)N(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCN12	REAL300020296998	0	52	-1.0	-52.63	413.45	7.88	-44.75
CC(C)C1=NN=C2C(C)N(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCN12	REAL300020296998	1	52	-1.0	-52.56	413.51	7.91	-44.65
C1=CC=C(CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1	REAL300020296999	0	53	-1.0	-41.40	436.16	11.44	-29.96
C1=CC=C(CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020296999	1	53	-1.0	-41.37	436.22	11.45	-29.92
C1=CC=C(CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1	REAL300020297000	0	50	-1.0	-45.70	415.47	10.71	-34.99
C1=CC=C(CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020297000	1	50	-1.0	-45.74	415.53	10.73	-35.01
C(CC1=NN=C(N2CCCC(C3CCOCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297001	0	57	-1.0	-41.74	422.81	8.82	-32.92
C(CC1=NN=C(N2CCCC(C3CCOCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297001	1	57	-1.0	-41.72	422.86	8.84	-32.88
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(C3CCOCC3)C2)N1CC1CC1	REAL300020297002	0	54	-1.0	-42.80	410.47	8.30	-34.50
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(C3CCOCC3)C2)N1CC1CC1	REAL300020297002	1	54	-1.0	-42.78	410.53	8.33	-34.45
O=S1(=O)NCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCN21	REAL300020297003	0	48	-1.0	-48.97	382.50	1.00	-47.97
O=S1(=O)NCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCN21	REAL300020297003	1	48	-1.0	-48.97	382.56	1.01	-47.96
O=S1(=O)NCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCN21	REAL300020297004	0	45	-1.0	-48.19	377.07	1.07	-47.12
O=S1(=O)NCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCN21	REAL300020297004	1	45	-1.0	-48.18	377.12	1.09	-47.09
N#C[C@@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]1CS(=O)(=O)C2	REAL300020297005	0	45	-1.0	-61.25	375.79	3.73	-57.52
N#C[C@@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]1CS(=O)(=O)C2	REAL300020297005	1	45	-1.0	-61.20	375.85	3.75	-57.45
FC(F)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC12CC2	REAL300020297006	0	47	-1.0	-43.07	380.09	8.86	-34.21
FC(F)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC12CC2	REAL300020297006	1	47	-1.0	-43.10	380.15	8.87	-34.23
FC(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC12CC2	REAL300020297007	0	44	-1.0	-48.03	354.65	8.22	-39.81
FC(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC12CC2	REAL300020297007	1	44	-1.0	-47.99	354.71	8.23	-39.76
CC1=CSC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020297008	0	52	-1.0	-41.73	430.01	9.15	-32.58
CC1=CSC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020297008	1	52	-1.0	-41.75	430.07	9.16	-32.59
CC1=CSC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=N1	REAL300020297009	0	49	-1.0	-43.79	408.50	8.36	-35.43
CC1=CSC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=N1	REAL300020297009	1	49	-1.0	-43.79	408.56	8.39	-35.40
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297010	0	46	-1.0	-46.65	379.36	6.25	-40.40
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297010	1	46	-1.0	-46.64	379.42	6.27	-40.37
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297011	0	43	-1.0	-45.61	368.74	5.47	-40.14
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297011	1	43	-1.0	-45.61	368.68	5.45	-40.16
CN(CC1=NC(C2=CC=CS2)=NO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297012	0	45	-1.0	-41.82	405.38	6.52	-35.30
CN(CC1=NC(C2=CC=CS2)=NO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297012	1	45	-1.0	-41.84	405.33	6.50	-35.34
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCCC2=CC=CC=C21	REAL300020297013	0	52	-1.0	-44.52	419.51	11.49	-33.03
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCCC2=CC=CC=C21	REAL300020297013	1	52	-1.0	-44.55	419.45	11.48	-33.07
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)O1	REAL300020297014	0	49	-1.0	-43.81	410.73	8.40	-35.41
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)O1	REAL300020297014	1	49	-1.0	-43.79	410.79	8.42	-35.37
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)O1	REAL300020297015	0	46	-1.0	-42.80	400.17	7.57	-35.23
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)O1	REAL300020297015	1	46	-1.0	-42.79	400.22	7.59	-35.20
C1=NN(C2CCC2)C=C1NC1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297016	0	47	-1.0	-47.29	383.71	9.73	-37.56
C1=NN(C2CCC2)C=C1NC1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297016	1	47	-1.0	-47.22	383.65	9.72	-37.50
C1=NN(C2CCC2)C=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297017	0	44	-1.0	-51.52	362.46	9.07	-42.45
C1=NN(C2CCC2)C=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297017	1	44	-1.0	-51.54	362.41	9.06	-42.48
COC1(C(F)(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297018	0	44	-1.0	-39.12	374.29	5.46	-33.66
COC1(C(F)(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297018	1	44	-1.0	-39.09	374.34	5.47	-33.62
COC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297019	0	41	-1.0	-40.97	352.77	4.67	-36.30
COC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297019	1	41	-1.0	-40.97	352.84	4.70	-36.27
C1=CN=CC([C@]23CC[C@H]2CCN3C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020297020	0	53	-1.0	-43.32	406.52	8.82	-34.50
C1=CN=CC([C@]23CC[C@H]2CCN3C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020297020	1	53	-1.0	-43.35	406.46	8.80	-34.55
C1=CN=CC([C@]23CC[C@H]2CCN3C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020297021	0	50	-1.0	-47.28	382.62	8.10	-39.18
C1=CN=CC([C@]23CC[C@H]2CCN3C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020297021	1	50	-1.0	-47.29	382.56	8.07	-39.22
C(CC1=NN=C(N2CCC3CCC(C3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297022	0	50	-1.0	-41.31	368.19	10.35	-30.96
C(CC1=NN=C(N2CCC3CCC(C3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297022	1	50	-1.0	-41.32	368.24	10.36	-30.96
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCC(C3)C2)N1CC1CC1	REAL300020297023	0	47	-1.0	-44.30	348.55	8.87	-35.43
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCC(C3)C2)N1CC1CC1	REAL300020297023	1	47	-1.0	-44.34	348.61	8.89	-35.45
C1=CC(C2=NN=C(N3CCC4CCC(C4)C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020297024	0	54	-1.0	-43.16	395.79	12.24	-30.92
C1=CC(C2=NN=C(N3CCC4CCC(C4)C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020297024	1	54	-1.0	-43.07	395.81	12.23	-30.84
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@]2(C)C1	REAL300020297025	0	53	0.0	-68.70	400.62	8.54	-60.16
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@]2(C)C1	REAL300020297025	1	53	0.0	-69.43	408.09	9.33	-60.10
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@]2(C)C1	REAL300020297025	1	53	0.0	-68.71	400.67	8.56	-60.15
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@]2(C)C1	REAL300020297025	1	53	0.0	-69.42	408.14	9.35	-60.07
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@]2(C)C1	REAL300020297026	0	50	0.0	-66.80	385.98	7.86	-58.94
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@]2(C)C1	REAL300020297026	1	50	0.0	-59.63	383.28	8.01	-51.62
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@]2(C)C1	REAL300020297026	1	50	0.0	-66.78	386.03	7.87	-58.91
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@]2(C)C1	REAL300020297026	1	50	0.0	-59.65	383.34	8.03	-51.62
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297027	0	51	-1.0	-42.81	404.47	5.18	-37.63
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297027	1	51	-1.0	-42.81	404.53	5.19	-37.62
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297028	0	48	-1.0	-42.94	382.97	4.39	-38.55
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297028	1	48	-1.0	-42.90	383.02	4.42	-38.48
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297029	0	52	-1.0	-40.00	406.42	10.35	-29.65
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297029	1	52	-1.0	-40.03	406.48	10.37	-29.66
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297030	0	49	-1.0	-41.37	384.98	9.58	-31.79
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297030	1	49	-1.0	-41.34	384.91	9.56	-31.78
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297031	0	52	-1.0	-45.09	426.71	9.04	-36.05
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297031	1	52	-1.0	-45.10	426.77	9.06	-36.04
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297032	0	49	-1.0	-46.36	405.21	8.26	-38.10
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297032	1	49	-1.0	-46.39	405.26	8.29	-38.10
CN(CC1=CC(C#N)=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297033	0	44	-1.0	-41.60	394.31	8.91	-32.69
CN(CC1=CC(C#N)=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297033	1	44	-1.0	-41.57	394.37	8.92	-32.65
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297034	0	41	-1.0	-43.81	373.70	8.16	-35.65
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297034	1	41	-1.0	-43.78	373.76	8.18	-35.60
CN(CCN1CCNC(=O)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297035	0	52	-1.0	-46.81	413.25	2.95	-43.86
CN(CCN1CCNC(=O)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297035	1	52	-1.0	-46.83	413.31	2.97	-43.86
CN(CCN1CCNC(=O)C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297036	0	49	-1.0	-54.84	395.64	2.48	-52.36
CN(CCN1CCNC(=O)C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297036	1	49	-1.0	-54.82	395.70	2.51	-52.31
C(CC1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297037	0	44	-1.0	-41.89	339.34	7.83	-34.06
C(CC1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297037	1	44	-1.0	-41.90	339.40	7.84	-34.06
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1CC1CC1	REAL300020297038	0	41	-1.0	-44.78	317.83	7.03	-37.75
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1CC1CC1	REAL300020297038	1	41	-1.0	-44.78	317.77	7.00	-37.78
C1=CC(C2=NN=C(N3C[C@@H]4CC[C@@H]4C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020297039	0	48	-1.0	-42.83	371.91	10.00	-32.83
C1=CC(C2=NN=C(N3C[C@@H]4CC[C@@H]4C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020297039	1	48	-1.0	-42.82	371.95	10.00	-32.82
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1CS(N)(=O)=O	REAL300020297040	0	51	-1.0	-54.81	416.07	3.32	-51.49
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1CS(N)(=O)=O	REAL300020297040	1	51	-1.0	-54.76	416.13	3.33	-51.43
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H]1CS(N)(=O)=O	REAL300020297041	0	48	-1.0	-58.00	392.92	2.38	-55.62
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1CS(N)(=O)=O	REAL300020297041	1	48	-1.0	-57.98	392.98	2.40	-55.58
C[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020297042	0	52	-1.0	-41.53	389.06	9.43	-32.10
C[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020297042	1	52	-1.0	-41.52	389.13	9.45	-32.07
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020297043	0	49	-1.0	-43.20	378.15	8.86	-34.34
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020297043	1	49	-1.0	-43.22	378.21	8.89	-34.33
C[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020297044	0	54	-1.0	-41.37	400.20	9.87	-31.50
C[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020297044	1	54	-1.0	-41.37	400.26	9.89	-31.48
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020297045	0	51	-1.0	-46.69	375.82	9.06	-37.63
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020297045	1	51	-1.0	-46.68	375.88	9.07	-37.61
O=S1(=O)C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@H]2C1	REAL300020297046	0	47	-1.0	-48.86	379.35	4.31	-44.55
O=S1(=O)C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@H]2C1	REAL300020297046	1	47	-1.0	-48.88	379.40	4.32	-44.56
O=S1(=O)C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]2C1	REAL300020297047	0	44	-1.0	-51.82	358.75	3.99	-47.83
O=S1(=O)C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]2C1	REAL300020297047	1	44	-1.0	-51.80	358.80	4.01	-47.79
C(=CC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1=CC=CC=C1	REAL300020297048	0	54	-1.0	-43.62	434.31	12.13	-31.49
C(=CC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1=CC=CC=C1	REAL300020297048	1	54	-1.0	-43.61	434.36	12.15	-31.46
C(=CC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1=CC=CC=C1	REAL300020297049	0	51	-1.0	-44.24	419.35	11.07	-33.17
C(=CC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1=CC=CC=C1	REAL300020297049	1	51	-1.0	-44.29	419.41	11.09	-33.20
C(CC1=NN=C(N2CCCC2C2OCCO2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297050	0	49	-1.0	-43.95	389.30	6.59	-37.36
C(CC1=NN=C(N2CCCC2C2OCCO2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297050	1	49	-1.0	-43.92	389.35	6.61	-37.31
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2OCCO2)N1CC1CC1	REAL300020297051	0	46	-1.0	-49.68	359.73	6.00	-43.68
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2OCCO2)N1CC1CC1	REAL300020297051	1	46	-1.0	-49.65	359.77	6.01	-43.64
CN1N=NC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297052	0	46	-1.0	-49.48	372.00	5.20	-44.28
CN1N=NC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297052	1	46	-1.0	-49.45	372.06	5.21	-44.24
CN1N=NC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297053	0	43	-1.0	-48.41	343.36	4.68	-43.73
CN1N=NC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297053	1	43	-1.0	-48.42	343.30	4.67	-43.75
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297054	0	49	-1.0	-46.30	397.16	8.43	-37.87
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297054	1	49	-1.0	-46.33	397.22	8.44	-37.89
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297055	0	46	-1.0	-48.30	382.66	7.65	-40.65
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297055	1	46	-1.0	-48.28	382.71	7.68	-40.60
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O=C1NCCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)O1	REAL300020297058	1	52	-1.0	-54.26	407.98	5.79	-48.47
O=C1NCCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)O1	REAL300020297059	0	49	-1.0	-60.72	373.49	5.14	-55.58
O=C1NCCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)O1	REAL300020297059	1	49	-1.0	-60.77	373.51	5.16	-55.61
O=C1NC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)CO1	REAL300020297060	0	52	-1.0	-49.28	406.93	6.04	-43.24
O=C1NC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)CO1	REAL300020297060	1	52	-1.0	-49.30	406.98	6.05	-43.25
O=C1NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)CO1	REAL300020297061	0	49	-1.0	-52.87	382.52	5.48	-47.39
O=C1NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)CO1	REAL300020297061	1	49	-1.0	-52.80	382.56	5.49	-47.31
CC(C)CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297062	0	56	-1.0	-49.38	435.67	7.52	-41.86
CC(C)CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297062	1	56	-1.0	-49.36	435.71	7.54	-41.82
CCS(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297063	0	51	-1.0	-50.28	421.29	5.22	-45.06
CCS(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297063	1	51	-1.0	-50.26	421.35	5.23	-45.03
CCS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297064	0	48	-1.0	-45.38	402.64	4.28	-41.10
CCS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297064	1	48	-1.0	-45.39	402.70	4.31	-41.08
NC(=O)C12CCC(CC1)N2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297065	0	48	-1.0	-48.22	373.98	4.07	-44.15
NC(=O)C12CCC(CC1)N2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297065	1	48	-1.0	-48.22	374.04	4.09	-44.13
NC(=O)C12CCC(CC1)N2C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297066	0	45	-1.0	-40.64	354.54	3.03	-37.61
NC(=O)C12CCC(CC1)N2C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297066	1	45	-1.0	-40.64	354.48	3.00	-37.64
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NS(=O)(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297067	1	48	-1.0	-49.32	395.80	2.54	-46.78
NS(=O)(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297068	0	45	-1.0	-53.40	373.03	1.94	-51.46
NS(=O)(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297068	1	45	-1.0	-53.35	373.09	1.95	-51.40
FC(F)(F)C1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCN21	REAL300020297069	0	44	-1.0	-41.86	365.06	7.89	-33.97
FC(F)(F)C1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCN21	REAL300020297069	1	44	-1.0	-41.85	365.01	7.86	-33.99
CSCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297070	0	50	-1.0	-40.59	411.23	9.49	-31.10
CSCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297070	1	50	-1.0	-40.58	411.29	9.50	-31.08
CSCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297071	0	47	-1.0	-43.95	381.10	9.03	-34.92
CSCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297071	1	47	-1.0	-43.94	381.12	9.04	-34.90
N#C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]1CS(=O)(=O)C2	REAL300020297072	0	45	-1.0	-54.74	378.91	3.64	-51.10
N#C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]1CS(=O)(=O)C2	REAL300020297072	1	45	-1.0	-54.81	378.97	3.67	-51.14
CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297073	0	47	-1.0	-41.90	383.09	6.99	-34.91
CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297073	1	47	-1.0	-41.92	383.15	7.00	-34.92
CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297074	0	44	-1.0	-45.84	349.12	5.84	-40.00
CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297074	1	44	-1.0	-45.84	349.18	5.86	-39.98
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020297075	0	51	-1.0	-42.67	392.46	8.03	-34.64
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020297075	1	51	-1.0	-42.66	392.50	8.02	-34.64
FC(F)(F)C1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020297076	0	44	-1.0	-49.25	370.00	6.29	-42.96
FC(F)(F)C1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020297076	1	44	-1.0	-49.26	370.04	6.30	-42.96
C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCN2N=C1C1CC1	REAL300020297077	0	51	-1.0	-48.24	410.72	7.92	-40.32
C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCN2N=C1C1CC1	REAL300020297077	1	51	-1.0	-48.24	410.78	7.93	-40.31
C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCN2N=C1C1CC1	REAL300020297078	0	48	-1.0	-48.60	378.09	8.01	-40.59
C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCN2N=C1C1CC1	REAL300020297078	1	48	-1.0	-48.60	378.11	8.04	-40.56
COC1=CC=CC(C2(F)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020297079	0	51	-1.0	-43.11	416.80	8.95	-34.16
COC1=CC=CC(C2(F)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020297079	1	51	-1.0	-43.10	416.86	8.98	-34.12
CCN(CCC(=O)NC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297080	0	49	-1.0	-50.71	394.54	4.68	-46.03
CCN(CCC(=O)NC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297080	1	49	-1.0	-50.68	394.60	4.69	-45.99
CCN(CCC(=O)NC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297081	0	46	-1.0	-56.82	380.51	4.32	-52.50
CCN(CCC(=O)NC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297081	1	46	-1.0	-56.80	380.57	4.34	-52.46
CCN(CCC(=O)NC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297082	0	53	-1.0	-52.09	417.06	6.68	-45.41
CCN(CCC(=O)NC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297082	1	53	-1.0	-52.13	417.10	6.68	-45.45
CC(C)(C)C1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020297083	0	56	-1.0	-46.79	439.14	8.23	-38.56
CC(C)(C)C1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020297083	1	56	-1.0	-46.80	439.20	8.25	-38.55
CC(C)(C)C1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020297084	0	53	-1.0	-50.72	410.91	7.78	-42.94
CC(C)(C)C1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020297084	1	53	-1.0	-50.75	410.94	7.80	-42.95
FC1(C2CC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297085	0	50	-1.0	-41.49	398.39	9.64	-31.85
FC1(C2CC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297085	1	50	-1.0	-41.50	398.45	9.66	-31.84
FC1(C2CC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297086	0	47	-1.0	-43.57	376.89	8.86	-34.71
FC1(C2CC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297086	1	47	-1.0	-43.58	376.95	8.88	-34.70
C1=CC2=C(CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)S1	REAL300020297087	0	44	-1.0	-41.76	366.20	7.93	-33.83
C1=CC2=C(CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)S1	REAL300020297087	1	44	-1.0	-41.76	366.25	7.95	-33.81
C1=CC2=C(CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)S1	REAL300020297088	0	41	-1.0	-46.33	347.10	7.54	-38.79
C1=CC2=C(CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)S1	REAL300020297088	1	41	-1.0	-46.35	347.04	7.51	-38.84
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297089	0	56	-1.0	-42.98	440.33	11.53	-31.45
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297089	1	56	-1.0	-42.97	440.39	11.55	-31.42
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297090	0	54	-1.0	-41.43	416.02	9.92	-31.51
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297090	1	54	-1.0	-41.42	416.08	9.94	-31.48
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297091	0	51	-1.0	-46.38	388.19	8.04	-38.34
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297091	1	51	-1.0	-46.36	388.25	8.06	-38.30
FC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=C1F	REAL300020297092	0	47	-1.0	-42.22	387.31	9.97	-32.25
FC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1F	REAL300020297092	1	47	-1.0	-42.24	387.36	9.99	-32.25
FC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1F	REAL300020297093	0	44	-1.0	-43.65	374.62	9.13	-34.52
FC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1F	REAL300020297093	1	44	-1.0	-43.69	374.68	9.16	-34.53
C(CC1=NN=C(N2CCC(C3COCCO3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297094	0	55	-1.0	-40.73	428.60	7.53	-33.20
C(CC1=NN=C(N2CCC(C3COCCO3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297094	1	55	-1.0	-40.73	428.66	7.54	-33.19
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3COCCO3)CC2)N1CC1CC1	REAL300020297095	0	52	-1.0	-42.99	407.10	6.74	-36.25
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3COCCO3)CC2)N1CC1CC1	REAL300020297095	1	52	-1.0	-42.95	407.16	6.77	-36.18
C#CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297096	0	47	-1.0	-39.85	391.96	9.13	-30.72
C#CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297096	1	47	-1.0	-39.84	392.01	9.14	-30.70
C#CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297097	0	44	-1.0	-43.43	359.56	7.19	-36.24
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C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297098	0	51	-1.0	-41.77	419.56	11.34	-30.43
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297098	1	51	-1.0	-41.66	419.60	11.33	-30.33
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C2O1	REAL300020297099	0	52	-1.0	-43.29	415.41	10.37	-32.92
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C2O1	REAL300020297099	1	52	-1.0	-43.26	415.46	10.38	-32.88
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C2O1	REAL300020297100	0	49	-1.0	-43.28	400.75	9.75	-33.53
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C2O1	REAL300020297100	1	49	-1.0	-43.31	400.69	9.72	-33.59
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C2O1	REAL300020297101	0	52	-1.0	-43.29	415.41	10.37	-32.92
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C2O1	REAL300020297101	1	52	-1.0	-43.26	415.46	10.38	-32.88
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2=CC=CC=C2O1	REAL300020297102	0	49	-1.0	-43.28	400.75	9.75	-33.53
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2=CC=CC=C2O1	REAL300020297102	1	49	-1.0	-43.31	400.69	9.72	-33.59
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C=CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297103	1	50	-1.0	-40.96	397.78	8.65	-32.31
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C1=CN=CC(CCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020297106	1	55	-1.0	-46.36	435.16	10.35	-36.01
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FC1(F)CCC2CC1CN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297107	1	47	-1.0	-42.74	357.85	7.75	-34.99
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N#CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020297111	1	48	-1.0	-43.32	393.55	9.75	-33.57
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NC(=O)C1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020297113	1	51	-1.0	-47.92	412.64	5.82	-42.10
NC(=O)C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020297114	0	48	-1.0	-48.11	390.98	5.01	-43.10
NC(=O)C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020297114	1	48	-1.0	-48.11	391.04	5.03	-43.08
CCOC(=O)C(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297115	0	53	-1.0	-47.87	427.79	9.29	-38.58
CCOC(=O)C(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297115	1	53	-1.0	-47.91	427.83	9.32	-38.59
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297116	0	50	-1.0	-40.40	387.59	9.41	-30.99
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297116	1	50	-1.0	-40.33	387.64	9.42	-30.91
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297117	0	47	-1.0	-43.19	357.94	8.81	-34.38
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297117	1	47	-1.0	-43.18	357.98	8.83	-34.35
CC(C)[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CC1CC1)C2	REAL300020297118	0	54	-1.0	-41.80	417.18	11.47	-30.33
CC(C)[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CC1CC1)C2	REAL300020297118	1	54	-1.0	-41.75	417.22	11.47	-30.28
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C#CCN(CCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297121	0	42	-1.0	-44.07	354.86	3.96	-40.11
C#CCN(CCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297121	1	42	-1.0	-44.07	354.92	3.98	-40.09
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CC1=CC=C(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020297124	1	54	-1.0	-40.49	432.15	11.98	-28.51
CC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020297125	0	51	-1.0	-42.97	402.70	11.37	-31.60
CC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020297125	1	51	-1.0	-42.99	402.76	11.38	-31.61
COC1=CC=C(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020297126	0	54	-1.0	-47.55	430.97	9.83	-37.72
COC1=CC=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020297126	1	54	-1.0	-47.56	431.03	9.85	-37.71
C(CC1=NN=C(N2CCC3CCCC32)N1CC1CC1)C1=N[N-]N=N1	REAL300020297127	0	47	-1.0	-41.73	365.55	9.10	-32.63
C(CC1=NN=C(N2CCC3CCCC32)N1CC1CC1)C1=NN=N[N-]1	REAL300020297127	1	47	-1.0	-41.72	365.61	9.12	-32.60
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCC32)N1CC1CC1	REAL300020297128	0	44	-1.0	-47.52	341.29	8.36	-39.16
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCC32)N1CC1CC1	REAL300020297128	1	44	-1.0	-47.52	341.23	8.35	-39.17
C1=CC(C2=NN=C(N3CCC4CCCC43)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020297129	0	51	-1.0	-43.01	394.82	11.04	-31.97
C1=CC(C2=NN=C(N3CCC4CCCC43)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020297129	1	51	-1.0	-42.97	394.85	11.02	-31.95
CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297130	0	49	-1.0	-40.88	377.40	8.52	-32.36
CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297130	1	49	-1.0	-40.84	377.45	8.53	-32.31
CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297131	0	46	-1.0	-42.74	355.89	7.73	-35.01
CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297131	1	46	-1.0	-42.75	355.95	7.76	-34.99
CCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297132	0	53	-1.0	-41.95	413.54	10.08	-31.87
CCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297132	1	53	-1.0	-41.94	413.59	10.07	-31.87
C[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@H]1CS(=O)(=O)C2	REAL300020297133	0	50	-1.0	-48.13	403.73	5.09	-43.04
C[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@H]1CS(=O)(=O)C2	REAL300020297133	1	50	-1.0	-48.13	403.79	5.10	-43.03
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]1CS(=O)(=O)C2	REAL300020297134	0	47	-1.0	-49.12	373.11	4.32	-44.80
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]1CS(=O)(=O)C2	REAL300020297134	1	47	-1.0	-49.07	373.15	4.35	-44.72
C1=NN(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)N=C1	REAL300020297135	0	49	-1.0	-43.90	403.37	7.06	-36.84
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C1=NN(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)N=C1	REAL300020297136	0	46	-1.0	-48.65	363.94	6.50	-42.15
C1=NN(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)N=C1	REAL300020297136	1	46	-1.0	-48.65	363.90	6.48	-42.17
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C(CC1=NN=C(N2CCC3(CCCO3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297137	1	51	-1.0	-42.89	400.69	8.02	-34.87
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCO3)CC2)N1CC1CC1	REAL300020297138	0	48	-1.0	-45.62	370.33	7.20	-38.42
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O=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCCN1	REAL300020297143	1	51	-1.0	-54.39	388.41	6.23	-48.16
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CN(C)C1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020297144	1	53	-1.0	-47.35	426.09	8.71	-38.64
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CC(=O)NC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020297145	1	50	-1.0	-45.28	411.81	8.63	-36.65
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CC(=O)NC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020297146	1	47	-1.0	-48.72	394.71	7.98	-40.74
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CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1F	REAL300020297152	0	44	-1.0	-41.59	359.66	6.24	-35.35
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1F	REAL300020297152	1	44	-1.0	-41.59	359.71	6.26	-35.33
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C[C@@H]1F	REAL300020297153	0	51	-1.0	-43.15	405.32	8.88	-34.27
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C[C@@H]1F	REAL300020297153	1	51	-1.0	-43.12	405.36	8.87	-34.25
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FC1=CC=CC=C1OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297155	0	48	-1.0	-48.72	398.71	8.77	-39.95
FC1=CC=CC=C1OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297155	1	48	-1.0	-48.75	398.77	8.80	-39.95
COC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297156	0	49	-1.0	-41.68	401.97	8.10	-33.58
COC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297156	1	49	-1.0	-41.67	402.03	8.11	-33.56
COC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297157	0	46	-1.0	-46.05	376.68	7.55	-38.50
COC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297157	1	46	-1.0	-46.07	376.74	7.56	-38.51
COC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2=C1	REAL300020297158	0	48	-1.0	-49.42	382.90	10.70	-38.72
COC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2=C1	REAL300020297158	1	48	-1.0	-49.45	382.96	10.71	-38.74
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2=C1	REAL300020297159	0	45	-1.0	-54.07	357.98	10.17	-43.90
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2=C1	REAL300020297159	1	45	-1.0	-54.06	357.92	10.15	-43.91
CC[N@@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020297160	0	55	0.0	-66.11	398.56	8.76	-57.35
CC[N@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020297160	1	55	0.0	-63.18	410.28	9.43	-53.75
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020297160	1	55	0.0	-66.13	398.62	8.77	-57.36
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020297160	1	55	0.0	-63.22	410.34	9.44	-53.78
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020297161	0	52	0.0	-63.71	376.99	7.97	-55.74
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020297161	1	52	0.0	-60.72	373.25	8.68	-52.04
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020297161	1	52	0.0	-63.70	377.05	8.00	-55.70
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020297161	1	52	0.0	-60.70	373.31	8.70	-52.00
C1=NC2=C(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)N1C1CCC1	REAL300020297162	0	54	-1.0	-46.55	423.50	9.78	-36.77
C1=NC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)N1C1CCC1	REAL300020297162	1	54	-1.0	-46.56	423.56	9.79	-36.77
C1=NC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)N1C1CCC1	REAL300020297163	0	51	-1.0	-47.67	394.78	9.24	-38.43
C1=NC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)N1C1CCC1	REAL300020297163	1	51	-1.0	-47.67	394.80	9.26	-38.41
C[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297164	0	44	-1.0	-39.57	359.57	8.23	-31.34
C[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297164	1	44	-1.0	-39.57	359.63	8.24	-31.33
C[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297165	0	41	-1.0	-42.42	333.47	7.46	-34.96
C[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297165	1	41	-1.0	-42.47	333.41	7.43	-35.04
C[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CC1CC1)C2	REAL300020297166	0	48	-1.0	-42.17	376.63	9.86	-32.31
C[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CC1CC1)C2	REAL300020297166	1	48	-1.0	-42.08	376.66	9.85	-32.23
F[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1CC1=CC=CC=C1	REAL300020297167	0	53	-1.0	-42.14	428.31	11.25	-30.89
F[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1CC1=CC=CC=C1	REAL300020297167	1	53	-1.0	-42.12	428.36	11.26	-30.86
F[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1CC1=CC=CC=C1	REAL300020297168	0	50	-1.0	-41.08	403.65	10.58	-30.50
F[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1CC1=CC=CC=C1	REAL300020297168	1	50	-1.0	-41.08	403.71	10.61	-30.47
C(CC1=NN=C(N2CCCCC3(CCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297169	0	53	-1.0	-40.43	391.17	10.89	-29.54
C(CC1=NN=C(N2CCCCC3(CCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297169	1	53	-1.0	-40.43	391.22	10.91	-29.52
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC3(CCC3)C2)N1CC1CC1	REAL300020297170	0	50	-1.0	-44.46	376.53	9.00	-35.46
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC3(CCC3)C2)N1CC1CC1	REAL300020297170	1	50	-1.0	-44.50	376.59	9.02	-35.48
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020297171	0	47	-1.0	-46.81	378.99	6.35	-40.46
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020297171	1	47	-1.0	-46.80	379.05	6.36	-40.44
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020297172	0	44	-1.0	-50.50	350.81	5.91	-44.59
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020297172	1	44	-1.0	-50.45	350.77	5.90	-44.55
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCOCC1	REAL300020297173	0	52	-1.0	-40.60	413.77	7.59	-33.01
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCOCC1	REAL300020297173	1	52	-1.0	-40.61	413.82	7.61	-33.00
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCOCC1	REAL300020297174	0	49	-1.0	-44.39	381.45	7.72	-36.67
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCOCC1	REAL300020297174	1	49	-1.0	-44.43	381.51	7.73	-36.70
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCCC1	REAL300020297175	0	51	-1.0	-40.89	392.59	9.90	-30.99
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCCC1	REAL300020297175	1	51	-1.0	-40.88	392.64	9.92	-30.96
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCCC1	REAL300020297176	0	48	-1.0	-43.42	376.44	9.25	-34.17
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCCC1	REAL300020297176	1	48	-1.0	-43.40	376.51	9.28	-34.12
CC1=CC=NC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020297177	0	54	-1.0	-43.16	436.33	9.30	-33.86
CC1=CC=NC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020297177	1	54	-1.0	-43.16	436.38	9.31	-33.85
CC1=CC=NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020297178	0	51	-1.0	-47.13	408.86	8.66	-38.47
CC1=CC=NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020297178	1	51	-1.0	-47.20	408.89	8.66	-38.54
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H](C)N1CC(F)(F)F	REAL300020297179	0	51	-1.0	-43.71	383.88	6.37	-37.34
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)N1CC(F)(F)F	REAL300020297179	1	51	-1.0	-43.71	383.92	6.38	-37.33
ClC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297180	0	44	-1.0	-40.37	378.17	9.51	-30.86
ClC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297180	1	44	-1.0	-40.40	378.23	9.52	-30.88
ClC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297181	0	41	-1.0	-42.98	351.25	8.48	-34.50
ClC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297181	1	41	-1.0	-42.98	351.19	8.45	-34.53
O=S1(=O)CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@@H]21	REAL300020297182	0	47	-1.0	-50.86	384.12	4.67	-46.19
O=S1(=O)CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@@H]21	REAL300020297182	1	47	-1.0	-50.81	384.17	4.69	-46.12
O=S1(=O)CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@@H]21	REAL300020297183	0	44	-1.0	-58.00	365.78	3.91	-54.09
O=S1(=O)CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@@H]21	REAL300020297183	1	44	-1.0	-58.01	365.83	3.93	-54.08
FC1(F)CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@@H]21	REAL300020297184	0	47	-1.0	-41.51	377.18	8.87	-32.64
FC1(F)CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@@H]21	REAL300020297184	1	47	-1.0	-41.52	377.23	8.88	-32.64
FC1(F)CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@@H]21	REAL300020297185	0	44	-1.0	-49.77	351.75	7.95	-41.82
FC1(F)CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@@H]21	REAL300020297185	1	44	-1.0	-49.77	351.80	7.96	-41.81
C=CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297186	0	49	-1.0	-40.23	397.87	8.93	-31.30
C=CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297186	1	49	-1.0	-40.23	397.93	8.95	-31.28
C=CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297187	0	46	-1.0	-44.31	376.77	8.16	-36.15
C=CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297187	1	46	-1.0	-44.29	376.71	8.14	-36.15
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297188	0	53	-1.0	-42.43	413.35	10.49	-31.94
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297188	1	53	-1.0	-42.49	413.39	10.48	-32.01
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297189	0	48	-1.0	-40.17	390.14	8.81	-31.36
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297189	1	48	-1.0	-40.20	390.19	8.82	-31.38
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297190	0	45	-1.0	-42.34	363.16	7.99	-34.35
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297190	1	45	-1.0	-42.35	363.22	8.02	-34.33
CC1=CC=C(C)C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020297191	0	56	-1.0	-41.93	441.87	11.81	-30.12
CC1=CC=C(C)C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020297191	1	56	-1.0	-41.97	441.92	11.83	-30.14
CC1=CC(C)=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020297192	0	56	-1.0	-43.16	439.52	11.84	-31.32
CC1=CC(C)=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020297192	1	56	-1.0	-43.15	439.56	11.86	-31.29
C#CC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297193	0	42	-1.0	-40.83	352.36	8.08	-32.75
C#CC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297193	1	42	-1.0	-40.82	352.41	8.10	-32.72
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297194	0	46	-1.0	-42.98	375.32	9.25	-33.73
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297194	1	46	-1.0	-42.93	375.36	9.24	-33.69
FC1=CC=CC=C1COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297195	0	51	-1.0	-43.18	425.28	9.06	-34.12
FC1=CC=CC=C1COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297195	1	51	-1.0	-43.14	425.34	9.08	-34.06
FC1=CC=CC=C1COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297196	0	48	-1.0	-42.87	399.00	8.41	-34.46
FC1=CC=CC=C1COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297196	1	48	-1.0	-42.86	399.04	8.43	-34.43
COC(=O)C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCN2N=C1	REAL300020297197	0	50	-1.0	-43.88	420.98	7.37	-36.51
COC(=O)C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCN2N=C1	REAL300020297197	1	50	-1.0	-43.87	421.03	7.39	-36.48
COC(=O)C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCN2N=C1	REAL300020297198	0	47	-1.0	-49.48	393.13	6.71	-42.77
COC(=O)C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCN2N=C1	REAL300020297198	1	47	-1.0	-49.52	393.16	6.73	-42.79
CCC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297199	0	50	-1.0	-41.22	393.70	9.68	-31.54
CCC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297199	1	50	-1.0	-41.25	393.76	9.69	-31.56
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297200	0	47	-1.0	-46.71	371.89	9.12	-37.59
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297200	1	47	-1.0	-46.73	371.83	9.10	-37.63
C(CC1=NN=C(N2CCCC2C2CCCCO2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297201	0	54	-1.0	-42.90	401.30	7.24	-35.66
C(CC1=NN=C(N2CCCC2C2CCCCO2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297201	1	54	-1.0	-42.90	401.36	7.25	-35.65
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCCCO2)N1CC1CC1	REAL300020297202	0	51	-1.0	-48.68	393.44	7.94	-40.74
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C(CC1=NN=C(N2CCCC(C3CCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297303	0	56	-1.0	-40.49	427.09	10.89	-29.60
C(CC1=NN=C(N2CCCC(C3CCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297303	1	56	-1.0	-40.55	427.15	10.90	-29.65
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(C3CCCC3)C2)N1CC1CC1	REAL300020297304	0	53	-1.0	-45.68	406.01	10.13	-35.55
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(C3CCCC3)C2)N1CC1CC1	REAL300020297304	1	53	-1.0	-45.69	406.06	10.14	-35.55
CC1=NC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=NO1	REAL300020297305	0	50	-1.0	-43.98	408.76	6.37	-37.61
CC1=NC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=NO1	REAL300020297305	1	50	-1.0	-43.98	408.82	6.39	-37.59
CC1=NC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=NO1	REAL300020297306	0	47	-1.0	-44.73	391.78	5.39	-39.34
CC1=NC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=NO1	REAL300020297306	1	47	-1.0	-44.74	391.84	5.41	-39.33
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC[C@H]1C	REAL300020297307	0	50	-1.0	-40.72	397.86	7.51	-33.21
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[C@H]1C	REAL300020297307	1	50	-1.0	-40.73	397.92	7.53	-33.20
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[C@H]1C	REAL300020297308	0	47	-1.0	-44.48	372.14	6.71	-37.77
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[C@H]1C	REAL300020297308	1	47	-1.0	-44.51	372.18	6.74	-37.77
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC[C@H]1C	REAL300020297309	0	54	-1.0	-42.27	411.94	8.73	-33.54
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC[C@H]1C	REAL300020297309	1	54	-1.0	-42.25	411.97	8.72	-33.53
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(=O)N1	REAL300020297310	0	47	-1.0	-47.13	363.60	3.81	-43.32
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(=O)N1	REAL300020297310	1	47	-1.0	-47.16	363.66	3.82	-43.34
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(=O)N1	REAL300020297311	0	44	-1.0	-52.44	340.64	2.98	-49.46
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(=O)N1	REAL300020297311	1	44	-1.0	-52.44	340.59	2.97	-49.47
CC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC(=O)N1	REAL300020297312	0	51	-1.0	-43.64	410.22	7.14	-36.50
CC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC(=O)N1	REAL300020297312	1	51	-1.0	-43.60	410.27	7.13	-36.47
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1COC	REAL300020297313	0	54	-1.0	-42.74	424.86	6.14	-36.60
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1COC	REAL300020297313	1	54	-1.0	-42.73	424.91	6.15	-36.58
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H]1COC	REAL300020297314	0	51	-1.0	-45.66	394.29	5.34	-40.32
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1COC	REAL300020297314	1	51	-1.0	-45.70	394.33	5.37	-40.33
COC(=O)CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297315	0	53	-1.0	-45.95	425.94	7.82	-38.13
COC(=O)CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297315	1	53	-1.0	-45.96	425.99	7.84	-38.12
O=C1NCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(F)F	REAL300020297316	0	47	-1.0	-48.08	373.36	6.36	-41.72
O=C1NCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(F)F	REAL300020297316	1	47	-1.0	-48.10	373.41	6.37	-41.73
O=C1NCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(F)F	REAL300020297317	0	44	-1.0	-40.63	323.94	3.19	-37.44
O=C1NCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(F)F	REAL300020297317	1	44	-1.0	-40.62	323.96	3.20	-37.42
CC(C)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297318	0	51	-1.0	-40.56	395.63	9.32	-31.24
CC(C)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297318	1	51	-1.0	-40.55	395.68	9.34	-31.21
CC(C)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297319	0	48	-1.0	-41.36	379.80	8.64	-32.72
CC(C)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297319	1	48	-1.0	-41.35	379.85	8.67	-32.68
CC(C)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297320	0	55	-1.0	-42.14	419.68	11.11	-31.03
CC(C)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297320	1	55	-1.0	-42.12	419.72	11.10	-31.02
CN(CCN1C=CN=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297321	0	46	-1.0	-46.09	381.12	9.18	-36.91
CN(CCN1C=CN=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297321	1	46	-1.0	-46.10	381.18	9.19	-36.91
CN(CCN1C=CN=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297322	0	43	-1.0	-46.67	359.62	8.39	-38.28
CN(CCN1C=CN=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297322	1	43	-1.0	-46.70	359.67	8.42	-38.28
CN(CCN1C=CN=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297323	0	50	-1.0	-48.15	409.11	11.03	-37.12
CN(CCN1C=CN=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297323	1	50	-1.0	-48.16	409.16	11.03	-37.13
CN(CCCN1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297324	0	55	-1.0	-41.20	432.03	5.61	-35.59
CN(CCCN1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297324	1	55	-1.0	-41.23	432.08	5.62	-35.61
CN(CCC[NH+]1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297324	1	56	0.0	-68.51	425.96	8.02	-60.49
CN(CCCN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297325	0	52	-1.0	-45.50	411.15	4.87	-40.63
CN(CCCN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297325	1	52	-1.0	-45.54	411.20	4.89	-40.65
CN(CCC[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297325	1	53	0.0	-67.05	410.69	7.35	-59.70
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297326	0	54	-1.0	-44.60	418.40	7.33	-37.27
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297326	1	54	-1.0	-44.59	418.46	7.34	-37.25
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297327	0	51	-1.0	-46.00	389.09	6.72	-39.28
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297327	1	51	-1.0	-46.07	389.14	6.73	-39.34
CN(CC1CCSCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297328	0	50	-1.0	-41.48	396.15	9.88	-31.60
CN(CC1CCSCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297328	1	50	-1.0	-41.49	396.20	9.90	-31.59
CN(CC1CCSCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297329	0	47	-1.0	-41.96	382.49	8.94	-33.02
CN(CC1CCSCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297329	1	47	-1.0	-42.00	382.54	8.96	-33.04
CN(CC1=CN=CN1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297330	0	46	-1.0	-42.07	373.78	8.52	-33.55
CN(CC1=CN=CN1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297330	1	46	-1.0	-42.08	373.83	8.53	-33.55
CN(CC1=CN=CN1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297331	0	43	-1.0	-43.66	360.02	7.89	-35.77
CN(CC1=CN=CN1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297331	1	43	-1.0	-43.64	360.09	7.92	-35.72
CN(CC1=CN=CN1C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297332	0	50	-1.0	-44.11	397.86	10.32	-33.79
CN(CC1=CN=CN1C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297332	1	50	-1.0	-44.16	397.89	10.31	-33.85
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(C)(C)CO1	REAL300020297333	0	53	-1.0	-39.76	401.59	7.24	-32.52
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C)(C)CO1	REAL300020297333	1	53	-1.0	-39.78	401.64	7.26	-32.52
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C)(C)CO1	REAL300020297334	0	50	-1.0	-42.01	372.16	6.63	-35.38
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C)(C)CO1	REAL300020297334	1	50	-1.0	-41.97	372.21	6.65	-35.32
OCC1CC2(CO1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297335	0	55	-1.0	-44.74	424.85	4.95	-39.79
OCC1CC2(CO1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297335	1	55	-1.0	-44.76	424.91	4.97	-39.79
OCC1CC2(CO1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297336	0	52	-1.0	-45.88	398.08	4.03	-41.85
OCC1CC2(CO1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297336	1	52	-1.0	-45.87	398.12	4.05	-41.82
COCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297337	0	53	-1.0	-42.19	412.52	8.08	-34.11
COCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297337	1	53	-1.0	-42.23	412.58	8.10	-34.13
COCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297338	0	50	-1.0	-43.58	394.31	7.41	-36.17
COCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297338	1	50	-1.0	-43.58	394.37	7.43	-36.15
CN1C=NC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297339	0	53	-1.0	-44.26	424.51	10.46	-33.80
CN1C=NC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297339	1	53	-1.0	-44.25	424.57	10.47	-33.78
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297339	1	54	0.0	-67.29	427.96	10.99	-56.30
CN1C=NC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297340	0	50	-1.0	-48.25	396.42	9.84	-38.41
CN1C=NC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297340	1	50	-1.0	-48.22	396.47	9.86	-38.36
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297340	1	51	0.0	-68.85	399.91	10.38	-58.47
FC1=C(Cl)C=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297341	0	44	-1.0	-42.93	368.34	8.82	-34.11
FC1=C(Cl)C=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297341	1	44	-1.0	-42.96	368.38	8.85	-34.11
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297342	0	48	-1.0	-42.24	377.88	7.80	-34.44
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297342	1	48	-1.0	-42.26	377.94	7.82	-34.44
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297343	0	45	-1.0	-44.39	356.44	7.04	-37.35
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297343	1	45	-1.0	-44.39	356.38	7.02	-37.37
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297344	0	52	-1.0	-43.10	398.77	9.57	-33.53
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297344	1	52	-1.0	-43.07	398.82	9.56	-33.51
FC1=CC(Cl)=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297345	0	44	-1.0	-42.69	368.91	8.83	-33.86
FC1=CC(Cl)=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297345	1	44	-1.0	-42.69	368.97	8.86	-33.83
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300020297346	0	61	0.0	-61.32	449.69	9.50	-51.82
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300020297346	1	61	0.0	-61.28	449.75	9.51	-51.77
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300020297347	0	58	0.0	-59.10	424.56	8.65	-50.45
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC[NH+](C(C)(C)C)CC1	REAL300020297347	1	58	0.0	-59.12	424.62	8.68	-50.44
FC1=CC(Cl)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020297348	0	44	-1.0	-42.94	367.33	8.79	-34.15
FC1=CC(Cl)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020297348	1	44	-1.0	-42.96	367.39	8.80	-34.16
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297349	0	51	-1.0	-42.81	412.17	9.77	-33.04
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297349	1	51	-1.0	-42.75	412.22	9.79	-32.96
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297350	0	48	-1.0	-42.89	401.02	9.14	-33.75
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297350	1	48	-1.0	-42.90	400.96	9.11	-33.79
CC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=C1F	REAL300020297351	0	50	-1.0	-43.27	401.21	9.42	-33.85
CC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1F	REAL300020297351	1	50	-1.0	-43.25	401.26	9.44	-33.81
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CC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1F	REAL300020297352	1	47	-1.0	-48.85	381.85	9.01	-39.84
CC1=CC(F)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020297353	0	50	-1.0	-43.10	402.32	9.44	-33.66
CC1=CC(F)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020297353	1	50	-1.0	-43.09	402.38	9.45	-33.64
CC1=CC(F)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020297354	0	47	-1.0	-43.90	373.60	8.99	-34.91
CC1=CC(F)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020297354	1	47	-1.0	-43.86	373.66	9.01	-34.85
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297355	0	54	-1.0	-41.81	407.48	8.30	-33.51
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297355	1	54	-1.0	-41.83	407.54	8.32	-33.51
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297356	0	51	-1.0	-47.00	384.53	7.48	-39.52
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297356	1	51	-1.0	-47.00	384.59	7.50	-39.50
CC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020297357	0	56	-1.0	-40.32	441.10	12.02	-28.30
CC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020297357	1	56	-1.0	-40.29	441.15	12.03	-28.26
CC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020297358	0	53	-1.0	-44.37	413.55	11.35	-33.02
CC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020297358	1	53	-1.0	-44.40	413.59	11.37	-33.03
CC1=CC(Cl)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020297359	0	50	-1.0	-42.26	411.09	9.82	-32.44
CC1=CC(Cl)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020297359	1	50	-1.0	-42.24	411.15	9.83	-32.41
CC1=CC(Cl)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020297360	0	47	-1.0	-43.46	382.36	9.36	-34.10
CC1=CC(Cl)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020297360	1	47	-1.0	-43.46	382.41	9.39	-34.07
C(CC1=NN=C(N2CC3CCCC(C2)O3)N1CC1CC1)C1=N[N-]N=N1	REAL300020297361	0	48	-1.0	-40.66	360.41	8.68	-31.98
C(CC1=NN=C(N2CC3CCCC(C2)O3)N1CC1CC1)C1=NN=N[N-]1	REAL300020297361	1	48	-1.0	-40.66	360.47	8.69	-31.97
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCC(C2)O3)N1CC1CC1	REAL300020297362	0	45	-1.0	-43.62	341.43	8.34	-35.28
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCC(C2)O3)N1CC1CC1	REAL300020297362	1	45	-1.0	-43.63	341.48	8.36	-35.27
C1=CC(C2=NN=C(N3CC4CCCC(C3)O4)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020297363	0	52	-1.0	-41.90	395.02	10.77	-31.13
C1=CC(C2=NN=C(N3CC4CCCC(C3)O4)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020297363	1	52	-1.0	-41.84	395.04	10.76	-31.08
O=S1(=O)CC2(C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297364	0	50	-1.0	-49.06	392.87	5.43	-43.63
O=S1(=O)CC2(C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297364	1	50	-1.0	-49.03	392.93	5.44	-43.59
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297365	0	47	-1.0	-51.65	375.27	4.78	-46.87
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297365	1	47	-1.0	-51.66	375.32	4.81	-46.85
C(CC1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297366	0	49	-1.0	-40.55	392.13	6.09	-34.46
C(CC1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297366	1	49	-1.0	-40.57	392.18	6.10	-34.47
C(C1=N[N-]N=N1)C1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1CC1CC1	REAL300020297367	0	46	-1.0	-45.47	348.91	4.94	-40.53
C(C1=NN=N[N-]1)C1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1CC1CC1	REAL300020297367	1	46	-1.0	-45.51	348.97	4.96	-40.55
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1COC	REAL300020297368	0	54	-1.0	-42.77	430.19	6.39	-36.38
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1COC	REAL300020297368	1	54	-1.0	-42.77	430.25	6.41	-36.36
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H]1COC	REAL300020297369	0	51	-1.0	-45.17	408.60	5.61	-39.56
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1COC	REAL300020297369	1	51	-1.0	-45.16	408.65	5.64	-39.52
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297370	0	52	-1.0	-41.04	394.22	9.23	-31.81
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297370	1	52	-1.0	-41.01	394.27	9.25	-31.76
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297371	0	49	-1.0	-44.13	376.67	8.30	-35.83
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297371	1	49	-1.0	-44.16	376.58	8.33	-35.83
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020297372	0	56	-1.0	-42.20	421.99	11.02	-31.18
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020297372	1	56	-1.0	-42.20	422.03	11.02	-31.18
FC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC12CCOC2	REAL300020297373	0	51	-1.0	-41.22	405.33	7.85	-33.37
FC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC12CCOC2	REAL300020297373	1	51	-1.0	-41.22	405.39	7.87	-33.35
FC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC12CCOC2	REAL300020297374	0	48	-1.0	-44.07	384.54	7.10	-36.97
FC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC12CCOC2	REAL300020297374	1	48	-1.0	-44.02	384.59	7.12	-36.90
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC12CC2	REAL300020297375	0	48	-1.0	-41.45	386.38	7.32	-34.13
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC12CC2	REAL300020297375	1	48	-1.0	-41.45	386.44	7.33	-34.12
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC12CC2	REAL300020297376	0	45	-1.0	-43.61	367.59	6.62	-36.99
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC12CC2	REAL300020297376	1	45	-1.0	-43.63	367.65	6.64	-36.99
COC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC12CC2	REAL300020297377	0	52	-1.0	-42.88	413.24	9.25	-33.63
COC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC12CC2	REAL300020297377	1	52	-1.0	-42.83	413.27	9.24	-33.59
CN1CCCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C1=O	REAL300020297378	0	54	-1.0	-50.10	414.08	7.78	-42.32
CN1CCCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C1=O	REAL300020297378	1	54	-1.0	-50.11	414.13	7.79	-42.32
CN1CCCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C1=O	REAL300020297379	0	51	-1.0	-55.24	402.11	7.09	-48.15
CN1CCCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C1=O	REAL300020297379	1	51	-1.0	-55.22	402.17	7.12	-48.10
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297380	0	53	-1.0	-49.07	419.30	7.65	-41.42
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297380	1	53	-1.0	-49.02	419.35	7.67	-41.35
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297381	0	50	-1.0	-55.07	387.45	7.18	-47.89
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297381	1	50	-1.0	-55.06	387.51	7.19	-47.87
O=C1OCCC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297382	0	47	-1.0	-52.02	374.20	7.78	-44.24
O=C1OCCC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297382	1	47	-1.0	-52.00	374.26	7.80	-44.20
O=C1OCCC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297383	0	44	-1.0	-56.33	355.83	7.09	-49.24
O=C1OCCC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297383	1	44	-1.0	-56.27	355.89	7.11	-49.16
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297384	0	53	-1.0	-46.75	407.16	8.28	-38.47
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297384	1	53	-1.0	-46.79	407.22	8.30	-38.49
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297385	0	50	-1.0	-48.05	385.99	7.55	-40.50
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297385	1	50	-1.0	-48.01	386.05	7.58	-40.43
CC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCN21	REAL300020297386	0	47	-1.0	-42.94	387.63	8.21	-34.73
CC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCN21	REAL300020297386	1	47	-1.0	-42.93	387.69	8.22	-34.71
CC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCN21	REAL300020297387	0	44	-1.0	-45.19	347.99	7.67	-37.52
CC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCN21	REAL300020297387	1	44	-1.0	-45.27	348.05	7.68	-37.59
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297388	0	54	-1.0	-41.48	429.25	7.88	-33.60
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297388	1	54	-1.0	-41.46	429.31	7.90	-33.56
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297389	0	51	-1.0	-44.50	404.92	7.13	-37.37
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297389	1	51	-1.0	-44.51	404.98	7.15	-37.36
COC1=CC=C2C(=C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2C	REAL300020297390	0	54	-1.0	-44.04	418.50	8.47	-35.57
COC1=CC=C2C(=C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2C	REAL300020297390	1	54	-1.0	-44.06	418.56	8.48	-35.58
COC1=CC=C2C(=C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2C	REAL300020297391	0	51	-1.0	-46.77	401.02	7.83	-38.94
COC1=CC=C2C(=C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2C	REAL300020297391	1	51	-1.0	-46.77	401.08	7.86	-38.91
CCC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020297392	0	53	-1.0	-40.60	418.40	11.32	-29.28
CCC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020297392	1	53	-1.0	-40.58	418.45	11.33	-29.25
CCC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020297393	0	50	-1.0	-42.34	406.83	10.66	-31.68
CCC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020297393	1	50	-1.0	-42.35	406.78	10.64	-31.71
CC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCC1(C)C	REAL300020297394	0	49	-1.0	-40.42	378.76	8.48	-31.94
CC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCC1(C)C	REAL300020297394	1	49	-1.0	-40.46	378.82	8.50	-31.96
CC1N(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCC1(C)C	REAL300020297395	0	46	-1.0	-44.55	353.37	7.93	-36.62
CC1N(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCC1(C)C	REAL300020297395	1	46	-1.0	-44.52	353.39	7.94	-36.58
CC1N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCC1(C)C	REAL300020297396	0	53	-1.0	-41.77	409.10	10.54	-31.23
CC1N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCC1(C)C	REAL300020297396	1	53	-1.0	-41.79	409.15	10.51	-31.28
O=C1NCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(F)F	REAL300020297397	0	44	-1.0	-45.43	354.78	3.65	-41.78
O=C1NCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(F)F	REAL300020297397	1	44	-1.0	-45.43	354.84	3.67	-41.76
O=C1NCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(F)F	REAL300020297398	0	41	-1.0	-45.50	326.19	2.92	-42.58
O=C1NCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(F)F	REAL300020297398	1	41	-1.0	-45.47	326.25	2.94	-42.53
BrC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297399	0	41	-1.0	-39.27	350.36	8.25	-31.02
BrC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297399	1	41	-1.0	-39.30	350.41	8.26	-31.04
BrC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297400	0	38	-1.0	-39.58	338.67	7.60	-31.98
BrC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297400	1	38	-1.0	-39.55	338.72	7.62	-31.93
C1=CC=C([C@H]2C[C@@H]3CCN(C4=NN=C(CC5=N[N-]N=N5)N4CC4CC4)C[C@@H]32)C=C1	REAL300020297401	0	54	-1.0	-44.11	427.65	11.62	-32.49
C1=CC=C([C@H]2C[C@@H]3CCN(C4=NN=C(CC5=NN=N[N-]5)N4CC4CC4)C[C@@H]32)C=C1	REAL300020297401	1	54	-1.0	-44.09	427.72	11.65	-32.44
C[NH+]1CC23CN(C4=NN=C(CCC5=N[N-]N=N5)N4CC4CC4)CC2(C1)CCCC3	REAL300020297402	0	60	0.0	-69.09	438.26	10.89	-58.20
C[NH+]1CC23CN(C4=NN=C(CCC5=NN=N[N-]5)N4CC4CC4)CC2(C1)CCCC3	REAL300020297402	1	60	0.0	-69.09	438.32	10.90	-58.19
C[NH+]1CC23CN(C4=NN=C(CC5=N[N-]N=N5)N4CC4CC4)CC2(C1)CCCC3	REAL300020297403	0	57	0.0	-68.03	421.84	10.08	-57.95
C[NH+]1CC23CN(C4=NN=C(CC5=NN=N[N-]5)N4CC4CC4)CC2(C1)CCCC3	REAL300020297403	1	57	0.0	-68.02	421.89	10.11	-57.91
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC12CCC2	REAL300020297404	0	53	-1.0	-45.22	422.77	9.16	-36.06
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC12CCC2	REAL300020297404	1	53	-1.0	-45.22	422.83	9.17	-36.05
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC12CCC2	REAL300020297405	0	50	-1.0	-50.05	403.51	8.48	-41.57
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC12CCC2	REAL300020297405	1	50	-1.0	-50.04	403.56	8.49	-41.55
FC(F)(F)CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297406	0	52	-1.0	-42.46	421.59	9.08	-33.38
FC(F)(F)CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297406	1	52	-1.0	-42.43	421.64	9.10	-33.33
FC(F)(F)CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297407	0	49	-1.0	-47.74	403.15	8.45	-39.29
FC(F)(F)CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297407	1	49	-1.0	-47.69	403.21	8.47	-39.22
CC1=NN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)S1	REAL300020297408	0	48	-1.0	-44.51	407.63	7.49	-37.02
CC1=NN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)S1	REAL300020297408	1	48	-1.0	-44.52	407.69	7.51	-37.01
COCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020297409	0	51	-1.0	-41.94	409.61	6.14	-35.80
COCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020297409	1	51	-1.0	-41.93	409.67	6.16	-35.77
COCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020297410	0	48	-1.0	-42.86	392.62	5.15	-37.71
COCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020297410	1	48	-1.0	-42.89	392.68	5.19	-37.70
CN(C)C1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=N1	REAL300020297411	0	53	-1.0	-42.84	421.31	10.40	-32.44
CN(C)C1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=N1	REAL300020297411	1	53	-1.0	-42.78	421.37	10.42	-32.36
CN(C)C1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=N1	REAL300020297412	0	50	-1.0	-44.43	392.37	9.74	-34.69
CN(C)C1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=N1	REAL300020297412	1	50	-1.0	-44.44	392.43	9.76	-34.68
CC1=CC(C)=NN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297413	0	56	-1.0	-42.13	448.68	9.81	-32.32
CC1=CC(C)=NN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297413	1	56	-1.0	-42.13	448.74	9.82	-32.31
CC1=CC(C)=NN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297414	0	53	-1.0	-46.42	420.64	9.20	-37.22
CC1=CC(C)=NN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297414	1	53	-1.0	-46.47	420.69	9.22	-37.25
OC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020297415	0	48	-1.0	-42.21	383.65	6.50	-35.71
OC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020297415	1	48	-1.0	-42.21	383.71	6.51	-35.70
OC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020297416	0	45	-1.0	-44.71	353.19	5.81	-38.90
OC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020297416	1	45	-1.0	-44.71	353.13	5.79	-38.92
C(C1=CC=CS1)=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297417	0	51	-1.0	-40.28	421.15	10.61	-29.67
C(C1=CC=CS1)=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297417	1	51	-1.0	-40.31	421.21	10.63	-29.68
C(C1=CC=CS1)=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297418	0	48	-1.0	-42.75	402.97	9.98	-32.77
C(C1=CC=CS1)=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297418	1	48	-1.0	-42.75	403.02	9.99	-32.76
CN(CC1=CC=CC=C1N1C=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297419	0	51	-1.0	-51.17	401.01	12.88	-38.29
CN(CC1=CC=CC=C1N1C=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297419	1	51	-1.0	-51.16	400.97	12.85	-38.31
CC(C)CC1(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297420	0	55	-1.0	-40.29	416.19	11.05	-29.24
CC(C)CC1(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297420	1	55	-1.0	-40.29	416.24	11.07	-29.22
CC(C)CC1(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297421	0	52	-1.0	-43.01	397.96	10.05	-32.96
CC(C)CC1(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297421	1	52	-1.0	-43.00	398.02	10.06	-32.94
O=C1CCOC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)C1	REAL300020297422	0	53	-1.0	-44.02	413.02	7.80	-36.22
O=C1CCOC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)C1	REAL300020297422	1	53	-1.0	-44.05	413.08	7.82	-36.23
O=C1CCOC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C1	REAL300020297423	0	50	-1.0	-45.24	393.42	7.03	-38.21
O=C1CCOC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C1	REAL300020297423	1	50	-1.0	-45.25	393.48	7.06	-38.19
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297424	0	49	-1.0	-42.44	395.00	8.14	-34.30
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297424	1	49	-1.0	-42.44	395.05	8.15	-34.29
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297425	0	46	-1.0	-45.34	383.79	7.25	-38.09
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297425	1	46	-1.0	-45.34	383.85	7.28	-38.06
C=CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297426	0	46	-1.0	-40.51	369.37	8.59	-31.92
C=CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297426	1	46	-1.0	-40.47	369.43	8.60	-31.87
C=CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297427	0	43	-1.0	-42.83	340.01	8.00	-34.83
C=CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297427	1	43	-1.0	-42.78	339.96	7.99	-34.79
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297428	0	50	-1.0	-42.08	393.43	10.38	-31.70
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297428	1	50	-1.0	-42.13	393.47	10.37	-31.76
C(CC1=NN=C(N2CCCC3(CCCO3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297429	0	51	-1.0	-43.69	388.38	7.35	-36.34
C(CC1=NN=C(N2CCCC3(CCCO3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297429	1	51	-1.0	-43.65	388.43	7.36	-36.29
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCO3)C2)N1CC1CC1	REAL300020297430	0	48	-1.0	-47.59	358.91	6.74	-40.85
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCO3)C2)N1CC1CC1	REAL300020297430	1	48	-1.0	-47.59	358.97	6.76	-40.83
C=CCN(CC(=C)Br)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297431	0	44	-1.0	-38.98	387.99	9.00	-29.98
C=CCN(CC(=C)Br)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297431	1	44	-1.0	-39.02	388.05	9.01	-30.01
C=CCN(CC(=C)Br)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297432	0	41	-1.0	-44.28	364.62	7.93	-36.35
C=CCN(CC(=C)Br)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297432	1	41	-1.0	-44.32	364.64	7.96	-36.36
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297433	0	49	-1.0	-42.24	405.02	9.70	-32.54
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297433	1	49	-1.0	-42.21	405.08	9.71	-32.50
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297434	0	46	-1.0	-43.08	388.93	9.13	-33.95
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297434	1	46	-1.0	-43.05	388.97	9.15	-33.90
O=C1O[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@@H]2O1	REAL300020297435	0	42	-1.0	-49.24	350.10	6.66	-42.58
O=C1O[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@@H]2O1	REAL300020297435	1	42	-1.0	-49.25	350.16	6.68	-42.57
O=C1O[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@@H]2O1	REAL300020297436	0	39	-1.0	-50.10	334.21	5.93	-44.17
O=C1O[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@@H]2O1	REAL300020297436	1	39	-1.0	-50.06	334.27	5.95	-44.11
O=C1O[C@@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CC3CC3)C[C@@H]2O1	REAL300020297437	0	46	-1.0	-51.21	372.88	8.34	-42.87
O=C1O[C@@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CC3CC3)C[C@@H]2O1	REAL300020297437	1	46	-1.0	-51.23	372.91	8.34	-42.89
C(CC1=NN=C(N2CCCC3(COC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297438	0	48	-1.0	-42.28	382.81	6.92	-35.36
C(CC1=NN=C(N2CCCC3(COC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297438	1	48	-1.0	-42.31	382.87	6.93	-35.38
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(COC3)C2)N1CC1CC1	REAL300020297439	0	45	-1.0	-45.19	361.86	6.07	-39.12
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(COC3)C2)N1CC1CC1	REAL300020297439	1	45	-1.0	-45.17	361.91	6.09	-39.08
C1=CC(C2=NN=C(N3CCCC4(COC4)C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020297440	0	52	-1.0	-45.51	395.17	7.96	-37.55
C1=CC(C2=NN=C(N3CCCC4(COC4)C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020297440	1	52	-1.0	-45.47	395.20	7.97	-37.50
CN1C=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C2CC2)N=N1	REAL300020297441	0	49	-1.0	-43.97	396.39	6.32	-37.65
CN1C=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2CC2)N=N1	REAL300020297441	1	49	-1.0	-44.00	396.45	6.33	-37.67
CN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)N=N1	REAL300020297442	0	46	-1.0	-43.20	374.96	5.77	-37.43
CN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)N=N1	REAL300020297442	1	46	-1.0	-43.18	374.91	5.74	-37.44
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1F	REAL300020297443	0	44	-1.0	-39.89	360.31	6.00	-33.89
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1F	REAL300020297443	1	44	-1.0	-39.90	360.36	6.02	-33.88
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H]1F	REAL300020297444	0	41	-1.0	-44.87	337.60	5.41	-39.46
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1F	REAL300020297444	1	41	-1.0	-44.90	337.66	5.43	-39.47
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C[C@H]1F	REAL300020297445	0	48	-1.0	-41.74	383.77	7.78	-33.96
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C[C@H]1F	REAL300020297445	1	48	-1.0	-41.75	383.81	7.78	-33.97
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297446	0	51	-1.0	-44.72	399.99	6.31	-38.41
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297446	1	51	-1.0	-44.77	400.05	6.33	-38.44
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297447	0	48	-1.0	-44.94	382.57	5.70	-39.24
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297447	1	48	-1.0	-44.89	382.51	5.68	-39.21
O=C1NC2(CCC2)C2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)O1	REAL300020297448	0	53	-1.0	-51.69	406.45	5.51	-46.18
O=C1NC2(CCC2)C2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)O1	REAL300020297448	1	53	-1.0	-51.68	406.52	5.53	-46.15
CC(C)(C)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297449	0	58	-1.0	-39.48	445.61	10.86	-28.62
CC(C)(C)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297449	1	58	-1.0	-39.48	445.66	10.87	-28.61
CC(C)(C)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297450	0	55	-1.0	-46.00	415.40	10.08	-35.92
CC(C)(C)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297450	1	55	-1.0	-45.98	415.46	10.09	-35.89
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297451	0	53	-1.0	-41.72	406.80	9.64	-32.08
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297451	1	53	-1.0	-41.67	406.86	9.66	-32.01
CCC1CC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297452	0	50	-1.0	-44.44	383.12	8.61	-35.83
CCC1CC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297452	1	50	-1.0	-44.47	383.14	8.63	-35.84
O=C(N1CC2CC1CN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C(F)(F)F	REAL300020297453	0	45	-1.0	-51.93	378.68	6.20	-45.73
O=C(N1CC2CC1CN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C(F)(F)F	REAL300020297453	1	45	-1.0	-51.96	378.73	6.22	-45.74
FC(F)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297454	0	46	-1.0	-43.63	379.10	8.51	-35.12
FC(F)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297454	1	46	-1.0	-43.61	379.16	8.53	-35.08
FC(F)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297455	0	43	-1.0	-44.50	339.70	7.97	-36.53
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CC(C)(C)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020297461	1	56	-1.0	-43.20	422.38	11.62	-31.58
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CN(CCCC1=CC=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297465	0	51	-1.0	-42.20	416.32	9.38	-32.82
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C1=CC=C(COC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020297468	0	51	-1.0	-45.93	421.82	9.22	-36.71
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C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C(F)(F)F	REAL300020297469	0	46	-1.0	-41.92	371.87	8.03	-33.89
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C(F)(F)F	REAL300020297469	1	46	-1.0	-41.90	371.93	8.04	-33.86
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C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C(F)(F)F	REAL300020297470	1	43	-1.0	-43.43	359.78	7.71	-35.72
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NC(=O)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297472	1	44	-1.0	-52.14	357.06	3.76	-48.38
NC(=O)[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020297473	0	51	-1.0	-51.74	403.56	6.37	-45.37
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C(CC1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297490	1	51	-1.0	-40.92	391.04	7.78	-33.14
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1CC1CC1	REAL300020297491	0	48	-1.0	-44.01	365.95	7.22	-36.79
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1CC1CC1	REAL300020297491	1	48	-1.0	-44.05	365.99	7.23	-36.82
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C1=CSC(C[C@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020297504	1	47	-1.0	-44.66	384.37	8.91	-35.75
C(CC1=NN=C(N2CC3CC2C3)N1CC1CC1)C1=N[N-]N=N1	REAL300020297505	0	41	-1.0	-40.63	330.18	7.43	-33.20
C(CC1=NN=C(N2CC3CC2C3)N1CC1CC1)C1=NN=N[N-]1	REAL300020297505	1	41	-1.0	-40.62	330.24	7.45	-33.17
C1=CC(C2=NN=C(N3CC4CC3C4)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020297506	0	45	-1.0	-41.75	356.97	9.34	-32.41
C1=CC(C2=NN=C(N3CC4CC3C4)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020297506	1	45	-1.0	-41.73	357.01	9.33	-32.40
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020297507	0	50	-1.0	-41.28	388.54	7.06	-34.22
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020297507	1	50	-1.0	-41.29	388.60	7.07	-34.22
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(C)C	REAL300020297508	0	47	-1.0	-43.33	370.85	6.40	-36.93
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(C)C	REAL300020297508	1	47	-1.0	-43.34	370.91	6.43	-36.91
COC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1(C)C	REAL300020297509	0	54	-1.0	-42.82	422.93	9.30	-33.52
COC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1(C)C	REAL300020297509	1	54	-1.0	-42.85	422.97	9.30	-33.55
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297510	0	55	0.0	-62.83	424.09	8.59	-54.24
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297510	1	55	0.0	-62.88	424.15	8.62	-54.26
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@H]12	REAL300020297511	0	51	-1.0	-43.21	394.91	7.79	-35.42
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@H]12	REAL300020297511	1	51	-1.0	-43.22	394.97	7.81	-35.41
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]12	REAL300020297512	0	48	-1.0	-48.68	370.76	7.21	-41.47
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]12	REAL300020297512	1	48	-1.0	-48.66	370.82	7.23	-41.43
COC1=CC2=C(C=C1C)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297513	0	54	-1.0	-43.88	425.05	8.79	-35.09
COC1=CC2=C(C=C1C)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297513	1	54	-1.0	-43.90	425.11	8.81	-35.09
COC1=CC2=C(C=C1C)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297514	0	51	-1.0	-46.69	396.33	8.35	-38.34
COC1=CC2=C(C=C1C)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297514	1	51	-1.0	-46.70	396.39	8.36	-38.34
CC1(N2CCOCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297515	0	56	-1.0	-39.83	424.91	5.60	-34.23
CC1(N2CCOCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297515	1	56	-1.0	-39.85	424.96	5.61	-34.24
CC1(N2CCOCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297516	0	53	-1.0	-41.48	403.39	4.80	-36.68
CC1(N2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297516	1	53	-1.0	-41.45	403.45	4.83	-36.62
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297517	0	51	-1.0	-45.09	406.56	6.65	-38.44
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297517	1	51	-1.0	-45.09	406.62	6.66	-38.43
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297518	0	48	-1.0	-46.21	377.87	6.22	-39.99
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297518	1	48	-1.0	-46.19	377.84	6.20	-39.99
FC1(F)C2(CC2)C12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297519	0	51	-1.0	-39.67	423.48	10.85	-28.82
FC1(F)C2(CC2)C12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297519	1	51	-1.0	-39.68	423.54	10.87	-28.81
FC1(F)C2(CC2)C12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297520	0	48	-1.0	-43.99	400.64	10.05	-33.94
FC1(F)C2(CC2)C12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297520	1	48	-1.0	-44.01	400.70	10.06	-33.95
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC[C@H]12	REAL300020297521	0	51	-1.0	-41.26	406.49	8.35	-32.91
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC[C@H]12	REAL300020297521	1	51	-1.0	-41.31	406.55	8.36	-32.95
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC[C@H]12	REAL300020297522	0	48	-1.0	-44.79	383.07	7.76	-37.03
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC[C@H]12	REAL300020297522	1	48	-1.0	-44.80	383.11	7.78	-37.02
FC1(F)CC1N1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020297523	0	44	-1.0	-46.67	384.21	10.56	-36.11
FC1(F)CC1N1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020297523	1	44	-1.0	-46.61	384.16	10.54	-36.07
FC1(F)CC1N1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020297524	0	41	-1.0	-51.40	359.92	9.79	-41.61
FC1(F)CC1N1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020297524	1	41	-1.0	-51.40	359.87	9.78	-41.62
N#C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C1=CC=CC=C1	REAL300020297525	0	51	-1.0	-41.38	410.76	10.22	-31.16
N#C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C1=CC=CC=C1	REAL300020297525	1	51	-1.0	-41.45	410.82	10.23	-31.22
N#C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C1=CC=CC=C1	REAL300020297526	0	48	-1.0	-45.38	398.27	10.00	-35.38
N#C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C1=CC=CC=C1	REAL300020297526	1	48	-1.0	-45.41	398.32	10.03	-35.38
CC(C)(C)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020297527	0	56	-1.0	-39.90	421.55	8.41	-31.49
CC(C)(C)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020297527	1	56	-1.0	-39.95	421.61	8.42	-31.53
CC(C)(C)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020297528	0	53	-1.0	-42.33	395.56	7.83	-34.50
CC(C)(C)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020297528	1	53	-1.0	-42.30	395.62	7.86	-34.44
CC12COC(=O)N1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297529	0	49	-1.0	-45.71	399.69	6.86	-38.85
CC12COC(=O)N1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297529	1	49	-1.0	-45.72	399.75	6.87	-38.85
CC12COC(=O)N1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297530	0	46	-1.0	-46.31	371.83	6.18	-40.13
CC12COC(=O)N1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297530	1	46	-1.0	-46.32	371.87	6.21	-40.11
CS(=O)(=O)C[C@@H]1C[C@H](F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297531	0	49	-1.0	-52.81	403.05	4.57	-48.24
CS(=O)(=O)C[C@@H]1C[C@H](F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297531	1	49	-1.0	-52.80	403.11	4.58	-48.22
CS(=O)(=O)C[C@@H]1C[C@H](F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297532	0	46	-1.0	-58.13	371.11	3.55	-54.58
CS(=O)(=O)C[C@@H]1C[C@H](F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297532	1	46	-1.0	-58.11	371.17	3.56	-54.55
CC1=C(CNC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)OC=C1	REAL300020297533	0	43	-1.0	-42.42	363.38	8.68	-33.74
CC1=C(CNC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)OC=C1	REAL300020297533	1	43	-1.0	-42.37	363.43	8.69	-33.68
CC1=C(CNC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)OC=C1	REAL300020297534	0	40	-1.0	-43.50	345.11	8.02	-35.48
CC1=C(CNC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)OC=C1	REAL300020297534	1	40	-1.0	-43.50	345.05	8.00	-35.50
CC1=C(CNC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)OC=C1	REAL300020297535	0	47	-1.0	-43.70	395.91	10.72	-32.98
CC1=C(CNC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)OC=C1	REAL300020297535	1	47	-1.0	-43.67	395.97	10.72	-32.95
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297536	0	53	-1.0	-40.69	412.24	11.08	-29.61
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297536	1	53	-1.0	-40.68	412.30	11.09	-29.59
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297537	0	50	-1.0	-43.35	399.59	10.26	-33.09
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297537	1	50	-1.0	-43.33	399.53	10.24	-33.09
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297538	0	56	-1.0	-45.21	457.83	9.88	-35.33
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297538	1	56	-1.0	-45.22	457.89	9.90	-35.32
C(CC1=NN=C(N2CCC3CC2CO3)N1CC1CC1)C1=N[N-]N=N1	REAL300020297539	0	45	-1.0	-41.03	350.82	6.37	-34.66
C(CC1=NN=C(N2CCC3CC2CO3)N1CC1CC1)C1=NN=N[N-]1	REAL300020297539	1	45	-1.0	-41.04	350.88	6.38	-34.66
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CC2CO3)N1CC1CC1	REAL300020297540	0	42	-1.0	-45.27	330.51	5.64	-39.63
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CC2CO3)N1CC1CC1	REAL300020297540	1	42	-1.0	-45.30	330.57	5.67	-39.63
C1=CC(C2=NN=C(N3CCC4CC3CO4)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020297541	0	49	-1.0	-43.25	383.81	8.40	-34.85
C1=CC(C2=NN=C(N3CCC4CC3CO4)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020297541	1	49	-1.0	-43.25	383.85	8.39	-34.86
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1F	REAL300020297542	0	43	-1.0	-40.37	347.44	7.76	-32.61
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1F	REAL300020297542	1	43	-1.0	-40.38	347.50	7.77	-32.61
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1F	REAL300020297543	0	40	-1.0	-45.92	323.24	6.99	-38.93
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1F	REAL300020297543	1	40	-1.0	-45.96	323.29	7.00	-38.96
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C[C@@H]1F	REAL300020297544	0	47	-1.0	-42.44	369.34	9.33	-33.11
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C[C@@H]1F	REAL300020297544	1	47	-1.0	-42.46	369.37	9.32	-33.14
N#CC1(C(N)=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297545	0	45	-1.0	-49.22	370.94	3.43	-45.79
N#CC1(C(N)=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297545	1	45	-1.0	-49.16	371.00	3.44	-45.72
N#CC1(C(N)=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297546	0	42	-1.0	-51.98	353.31	2.78	-49.20
N#CC1(C(N)=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297546	1	42	-1.0	-51.98	353.37	2.81	-49.17
C(CC1=NN=C(N2CC34CCCC3(COC4)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297547	0	52	-1.0	-40.27	390.11	7.14	-33.13
C(CC1=NN=C(N2CC34CCCC3(COC4)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297547	1	52	-1.0	-40.29	390.17	7.15	-33.14
C(C1=N[N-]N=N1)C1=NN=C(N2CC34CCCC3(COC4)C2)N1CC1CC1	REAL300020297548	0	49	-1.0	-45.62	371.88	6.71	-38.91
C(C1=NN=N[N-]1)C1=NN=C(N2CC34CCCC3(COC4)C2)N1CC1CC1	REAL300020297548	1	49	-1.0	-45.60	371.94	6.72	-38.88
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297549	0	45	-1.0	-42.71	361.45	8.07	-34.64
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297549	1	45	-1.0	-42.71	361.50	8.08	-34.63
C#C[C@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297550	0	42	-1.0	-45.42	349.10	7.58	-37.84
C#C[C@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297550	1	42	-1.0	-45.43	349.04	7.56	-37.87
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297551	0	49	-1.0	-43.75	393.05	10.13	-33.62
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297551	1	49	-1.0	-43.78	393.09	10.10	-33.68
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297552	0	49	-1.0	-41.15	404.92	9.47	-31.68
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297552	1	49	-1.0	-41.20	404.98	9.49	-31.71
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297553	0	46	-1.0	-41.32	384.51	9.62	-31.70
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297553	1	46	-1.0	-41.30	384.45	9.59	-31.71
FC1(F)CC1N1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020297554	0	44	-1.0	-44.96	378.35	9.35	-35.61
FC1(F)CC1N1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020297554	1	44	-1.0	-44.90	378.29	9.34	-35.56
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N#CC1=CC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)[N-]C1=O	REAL300020297557	1	47	-2.0	-94.29	397.58	4.92	-89.37
N#CC1=CC2=C(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)NC1=O	REAL300020297557	1	48	-1.0	-53.41	400.61	5.98	-47.43
N#CC1=CC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)NC1=O	REAL300020297557	1	48	-1.0	-53.41	400.67	6.00	-47.41
N#CC1=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)[N-]C1=O	REAL300020297558	0	44	-2.0	-103.16	368.74	4.42	-98.74
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CN(CCCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297559	0	48	-1.0	-49.85	398.69	4.80	-45.05
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CN(CCCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297560	0	45	-1.0	-51.54	369.28	4.21	-47.33
CN(CCCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297560	1	45	-1.0	-51.57	369.34	4.22	-47.35
CN(CCC(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297561	0	42	-1.0	-41.46	347.71	7.52	-33.94
CN(CCC(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297561	1	42	-1.0	-41.49	347.77	7.53	-33.96
CN(CCC(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297562	0	39	-1.0	-42.46	331.89	6.84	-35.62
CN(CCC(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297562	1	39	-1.0	-42.50	331.95	6.86	-35.64
CN(CCC(F)F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297563	0	46	-1.0	-44.67	371.78	9.31	-35.36
CN(CCC(F)F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297563	1	46	-1.0	-44.64	371.82	9.31	-35.33
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CN(CC1CC(F)C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297566	0	50	-1.0	-42.74	401.06	10.34	-32.40
CN(CC1CC(F)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297566	1	50	-1.0	-42.71	401.10	10.33	-32.38
CC(C)NC(=O)CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020297567	0	53	-1.0	-58.79	439.36	7.99	-50.80
CC(C)NC(=O)CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020297567	1	53	-1.0	-58.83	439.31	7.97	-50.86
CC(C)NC(=O)CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020297568	0	50	-1.0	-61.22	421.02	7.32	-53.90
CC(C)NC(=O)CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020297568	1	50	-1.0	-61.23	420.97	7.29	-53.94
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)[C@@H]2C1	REAL300020297569	0	47	-1.0	-50.50	385.03	4.95	-45.55
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)[C@@H]2C1	REAL300020297569	1	47	-1.0	-50.49	385.09	4.97	-45.52
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)[C@@H]2C1	REAL300020297570	0	44	-1.0	-52.81	366.13	4.01	-48.80
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)[C@@H]2C1	REAL300020297570	1	44	-1.0	-52.80	366.19	4.03	-48.77
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297571	0	45	-1.0	-41.12	383.67	6.67	-34.45
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297571	1	45	-1.0	-41.16	383.73	6.68	-34.48
C#CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297572	0	42	-1.0	-44.81	356.67	6.10	-38.71
C#CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297572	1	42	-1.0	-44.84	356.61	6.07	-38.77
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297573	0	49	-1.0	-42.74	411.72	8.78	-33.96
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297573	1	49	-1.0	-42.71	411.77	8.76	-33.95
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1OC	REAL300020297574	0	53	-1.0	-42.45	429.49	8.35	-34.10
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1OC	REAL300020297574	1	53	-1.0	-42.43	429.55	8.37	-34.06
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1OC	REAL300020297575	0	50	-1.0	-42.97	407.99	7.57	-35.40
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1OC	REAL300020297575	1	50	-1.0	-43.00	408.05	7.59	-35.41
COCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297576	0	50	-1.0	-40.82	393.71	7.58	-33.24
COCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297576	1	50	-1.0	-40.91	393.76	7.59	-33.32
COCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297577	0	47	-1.0	-45.54	370.20	6.57	-38.97
COCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297577	1	47	-1.0	-45.55	370.24	6.58	-38.97
COCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297578	0	54	-1.0	-43.13	424.53	9.16	-33.97
COCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297578	1	54	-1.0	-43.13	424.57	9.16	-33.97
CN(CC1=CC=CC(OC(F)F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297579	0	47	-1.0	-45.24	399.69	8.14	-37.10
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ClC1=CC=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC1	REAL300020297581	0	47	-1.0	-44.47	408.08	10.27	-34.20
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CC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020297582	1	53	-1.0	-39.75	435.29	11.29	-28.46
CC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C2CC2)C=C1	REAL300020297583	0	50	-1.0	-43.24	396.04	11.05	-32.19
CC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C2CC2)C=C1	REAL300020297583	1	50	-1.0	-43.22	396.00	11.02	-32.20
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C1=NOC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297586	1	43	-1.0	-41.13	350.65	7.60	-33.53
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COC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297602	0	49	-1.0	-44.05	391.52	8.20	-35.85
COC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297602	1	49	-1.0	-44.08	391.58	8.22	-35.86
COC(=O)[C@@H]1C[C@H]1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297603	0	53	-1.0	-45.79	414.59	9.96	-35.83
COC(=O)[C@@H]1C[C@H]1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297603	1	53	-1.0	-45.80	414.67	9.97	-35.83
FC1(F)CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)CC1	REAL300020297604	0	53	-1.0	-41.27	416.22	9.99	-31.28
FC1(F)CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)CC1	REAL300020297604	1	53	-1.0	-41.25	416.27	10.00	-31.25
FC1(F)CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)CC1	REAL300020297605	0	50	-1.0	-46.54	383.96	9.33	-37.21
FC1(F)CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)CC1	REAL300020297605	1	50	-1.0	-46.53	384.00	9.34	-37.19
COC1=CC=C2C(=C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2C	REAL300020297606	0	51	-1.0	-49.01	402.92	11.32	-37.69
COC1=CC=C2C(=C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2C	REAL300020297606	1	51	-1.0	-49.02	402.98	11.33	-37.69
COC1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2C	REAL300020297607	0	48	-1.0	-54.78	376.69	10.61	-44.17
COC1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2C	REAL300020297607	1	48	-1.0	-54.70	376.63	10.60	-44.10
C(CC1=NN=C(N2CCC3CCCCCC3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297608	0	56	-1.0	-39.80	418.52	10.61	-29.19
C(CC1=NN=C(N2CCC3CCCCCC3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297608	1	56	-1.0	-39.85	418.58	10.62	-29.23
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCCCC3C2)N1CC1CC1	REAL300020297609	0	53	-1.0	-44.35	396.00	9.58	-34.77
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCCCC3C2)N1CC1CC1	REAL300020297609	1	53	-1.0	-44.35	396.05	9.60	-34.75
CN(CC1CC(F)(F)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297610	0	46	-1.0	-41.48	374.80	8.73	-32.75
CN(CC1CC(F)(F)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297610	1	46	-1.0	-41.46	374.86	8.74	-32.72
CN(CC1CC(F)(F)C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297611	0	43	-1.0	-41.65	358.94	8.03	-33.62
CN(CC1CC(F)(F)C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297611	1	43	-1.0	-41.61	359.00	8.06	-33.55
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCN1C1CCCCC1	REAL300020297612	0	57	-1.0	-47.69	433.08	8.19	-39.50
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCN1C1CCCCC1	REAL300020297612	1	57	-1.0	-47.68	433.13	8.20	-39.48
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCN1C1CCCCC1	REAL300020297613	0	54	-1.0	-44.92	401.85	8.55	-36.37
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1C1CCCCC1	REAL300020297613	1	54	-1.0	-44.93	401.89	8.57	-36.36
O=C1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2N1	REAL300020297614	0	48	-1.0	-44.29	370.90	4.84	-39.45
O=C1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2N1	REAL300020297614	1	48	-1.0	-44.30	370.96	4.85	-39.45
O=C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2N1	REAL300020297615	0	45	-1.0	-48.00	357.35	4.55	-43.45
O=C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2N1	REAL300020297615	1	45	-1.0	-47.98	357.41	4.56	-43.42
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCC1(F)F	REAL300020297616	0	44	-1.0	-43.10	360.90	7.42	-35.68
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCC1(F)F	REAL300020297616	1	44	-1.0	-43.12	360.94	7.43	-35.69
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCC1(F)F	REAL300020297617	0	41	-1.0	-46.41	346.82	7.32	-39.09
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCC1(F)F	REAL300020297617	1	41	-1.0	-46.41	346.89	7.35	-39.06
O=C1NCC[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@H]12	REAL300020297618	0	51	-1.0	-52.37	381.48	5.37	-47.00
O=C1NCC[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@H]12	REAL300020297618	1	51	-1.0	-52.35	381.53	5.39	-46.96
O=C1NCC[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]12	REAL300020297619	0	48	-1.0	-56.86	367.76	5.55	-51.31
O=C1NCC[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]12	REAL300020297619	1	48	-1.0	-56.89	367.81	5.56	-51.33
O=[N+]([O-])C1=CN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)N=C1	REAL300020297620	0	49	-1.0	-46.67	397.73	8.58	-38.09
O=[N+]([O-])C1=CN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)N=C1	REAL300020297620	1	49	-1.0	-46.65	397.69	8.57	-38.08
COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1C	REAL300020297621	0	51	-1.0	-43.82	396.33	6.74	-37.08
COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020297621	1	51	-1.0	-43.86	396.39	6.76	-37.10
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1C	REAL300020297622	0	48	-1.0	-46.19	370.71	6.27	-39.92
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C	REAL300020297622	1	48	-1.0	-46.23	370.75	6.29	-39.94
O=C1OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2O1	REAL300020297623	0	45	-1.0	-43.30	373.58	7.11	-36.19
O=C1OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2O1	REAL300020297623	1	45	-1.0	-43.31	373.64	7.13	-36.18
O=C1OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2O1	REAL300020297624	0	42	-1.0	-46.07	343.01	6.39	-39.68
O=C1OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2O1	REAL300020297624	1	42	-1.0	-46.07	343.07	6.42	-39.65
F[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1C1=CC=CC=C1	REAL300020297625	0	50	-1.0	-46.09	395.00	10.09	-36.00
F[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C1=CC=CC=C1	REAL300020297625	1	50	-1.0	-46.06	395.06	10.10	-35.96
F[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1C1=CC=CC=C1	REAL300020297626	0	47	-1.0	-45.57	386.60	9.73	-35.84
F[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C1=CC=CC=C1	REAL300020297626	1	47	-1.0	-45.55	386.65	9.75	-35.80
CCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297627	0	52	-1.0	-39.09	408.28	9.75	-29.34
CCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297627	1	52	-1.0	-39.15	408.34	9.77	-29.38
CCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297628	0	49	-1.0	-42.64	380.37	9.10	-33.54
CCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297628	1	49	-1.0	-42.58	380.41	9.11	-33.47
CCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020297629	0	56	-1.0	-41.47	427.09	11.79	-29.68
CCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020297629	1	56	-1.0	-41.48	427.14	11.79	-29.69
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(F)(F)C1	REAL300020297630	0	49	-1.0	-42.66	404.22	8.57	-34.09
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(F)(F)C1	REAL300020297630	1	49	-1.0	-42.67	404.28	8.58	-34.09
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(F)(F)C1	REAL300020297631	0	46	-1.0	-46.71	391.30	7.88	-38.83
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(F)(F)C1	REAL300020297631	1	46	-1.0	-46.75	391.36	7.91	-38.84
C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2=NO1	REAL300020297632	0	40	-1.0	-44.20	332.07	6.24	-37.96
C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=NO1	REAL300020297632	1	40	-1.0	-44.18	332.13	6.26	-37.92
C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=NO1	REAL300020297633	0	37	-1.0	-46.75	313.74	5.59	-41.16
C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=NO1	REAL300020297633	1	37	-1.0	-46.77	313.68	5.56	-41.21
C1=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CC3CC3)CC2=NO1	REAL300020297634	0	44	-1.0	-43.48	360.88	8.23	-35.25
C1=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CC3CC3)CC2=NO1	REAL300020297634	1	44	-1.0	-43.45	360.92	8.21	-35.24
CC1CC(C(N)=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297635	0	50	-1.0	-41.38	393.53	5.35	-36.03
CC1CC(C(N)=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297635	1	50	-1.0	-41.37	393.59	5.36	-36.01
CC1CC(C(N)=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297636	0	47	-1.0	-44.05	382.69	4.16	-39.89
CC1CC(C(N)=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297636	1	47	-1.0	-44.06	382.74	4.19	-39.87
C(CC1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1CC1CC1)C1=N[N-]N=N1	REAL300020297637	0	47	-1.0	-40.96	366.07	8.69	-32.27
C(CC1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1CC1CC1)C1=NN=N[N-]1	REAL300020297637	1	47	-1.0	-40.94	366.12	8.70	-32.24
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1CC1CC1	REAL300020297638	0	44	-1.0	-44.84	335.86	8.47	-36.37
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1CC1CC1	REAL300020297638	1	44	-1.0	-44.79	335.82	8.45	-36.34
C1=CC(C2=NN=C(N3CCC[C@@H]4CC[C@@H]43)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020297639	0	51	-1.0	-42.04	397.63	10.70	-31.34
C1=CC(C2=NN=C(N3CCC[C@@H]4CC[C@@H]43)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020297639	1	51	-1.0	-41.97	397.67	10.68	-31.29
CC12CCC(CC1)N2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297640	0	47	-1.0	-41.33	359.35	8.03	-33.30
CC12CCC(CC1)N2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297640	1	47	-1.0	-41.34	359.41	8.04	-33.30
CC12CCC(CC1)N2C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297641	0	44	-1.0	-44.26	339.39	7.34	-36.92
CC12CCC(CC1)N2C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297641	1	44	-1.0	-44.22	339.34	7.31	-36.91
CC12CCC(CC1)N2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297642	0	51	-1.0	-42.74	382.66	9.80	-32.94
CC12CCC(CC1)N2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297642	1	51	-1.0	-42.77	382.70	9.79	-32.98
C1=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=NC=N1	REAL300020297643	0	50	-1.0	-41.97	407.14	7.79	-34.18
C1=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=NC=N1	REAL300020297643	1	50	-1.0	-41.96	407.08	7.78	-34.18
C1=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=NC=N1	REAL300020297644	0	47	-1.0	-42.85	387.29	7.06	-35.79
C1=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=NC=N1	REAL300020297644	1	47	-1.0	-42.89	387.24	7.04	-35.85
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1F	REAL300020297645	0	46	-1.0	-40.20	370.50	8.59	-31.61
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1F	REAL300020297645	1	46	-1.0	-40.20	370.55	8.61	-31.59
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1F	REAL300020297646	0	43	-1.0	-42.74	345.11	7.75	-34.99
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1F	REAL300020297646	1	43	-1.0	-42.75	345.16	7.77	-34.98
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C[C@@H]1F	REAL300020297647	0	50	-1.0	-41.01	401.97	10.53	-30.48
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C[C@@H]1F	REAL300020297647	1	50	-1.0	-40.97	402.01	10.52	-30.45
COC1(OC)CC(C(N)=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297648	0	52	-1.0	-45.13	411.65	2.53	-42.60
COC1(OC)CC(C(N)=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297648	1	52	-1.0	-45.19	411.72	2.55	-42.64
CC1=NN=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)O1	REAL300020297649	0	51	-1.0	-44.31	418.13	4.38	-39.93
CC1=NN=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)O1	REAL300020297649	1	51	-1.0	-44.30	418.19	4.39	-39.91
CC1=NN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)O1	REAL300020297650	0	48	-1.0	-46.07	380.91	3.69	-42.38
CC1=NN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)O1	REAL300020297650	1	48	-1.0	-46.05	380.95	3.70	-42.35
O=C1CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)N1	REAL300020297651	0	51	-1.0	-47.46	406.30	6.30	-41.16
O=C1CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)N1	REAL300020297651	1	51	-1.0	-47.47	406.36	6.32	-41.15
O=C1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)N1	REAL300020297652	0	48	-1.0	-49.20	384.82	5.52	-43.68
O=C1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)N1	REAL300020297652	1	48	-1.0	-49.20	384.88	5.54	-43.66
FC(F)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297653	0	49	-1.0	-41.77	399.07	9.23	-32.54
FC(F)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297653	1	49	-1.0	-41.84	399.13	9.25	-32.59
FC(F)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297654	0	46	-1.0	-44.43	357.83	8.66	-35.77
FC(F)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297654	1	46	-1.0	-44.42	357.87	8.68	-35.74
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297655	0	54	-1.0	-41.77	426.59	8.75	-33.02
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297655	1	54	-1.0	-41.78	426.65	8.77	-33.01
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297656	0	51	-1.0	-43.20	397.18	8.15	-35.05
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297656	1	51	-1.0	-43.22	397.21	8.17	-35.05
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H](C2=CC=C(F)C=C2)O1	REAL300020297657	0	51	-1.0	-41.96	411.43	8.69	-33.27
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H](C2=CC=C(F)C=C2)O1	REAL300020297657	1	51	-1.0	-41.96	411.48	8.71	-33.25
CN(CC1=CN=C2C=CC(Cl)=CN12)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297658	0	46	-1.0	-42.46	402.09	9.69	-32.77
CN(CC1=CN=C2C=CC(Cl)=CN12)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297658	1	46	-1.0	-42.47	402.03	9.67	-32.80
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1O	REAL300020297659	0	47	-1.0	-40.98	373.86	5.31	-35.67
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1O	REAL300020297659	1	47	-1.0	-40.99	373.91	5.32	-35.67
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1O	REAL300020297660	0	44	-1.0	-46.28	354.30	4.59	-41.69
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1O	REAL300020297660	1	44	-1.0	-46.29	354.36	4.62	-41.67
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C[C@@H]1O	REAL300020297661	0	51	-1.0	-41.99	396.13	7.25	-34.74
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C[C@@H]1O	REAL300020297661	1	51	-1.0	-41.95	396.16	7.25	-34.70
OC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2(CCCC2)C1	REAL300020297662	0	54	-1.0	-40.85	415.17	7.06	-33.79
OC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2(CCCC2)C1	REAL300020297662	1	54	-1.0	-40.85	415.23	7.07	-33.78
OC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2(CCCC2)C1	REAL300020297663	0	51	-1.0	-42.88	384.12	5.69	-37.19
OC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2(CCCC2)C1	REAL300020297663	1	51	-1.0	-42.89	384.18	5.71	-37.18
C1=CC2=CC=C3CCN(C4=NN=C(CC5=NN=N[N-]5)N4CC4CC4)CC3=C2C=C1	REAL300020297664	0	50	-1.0	-47.70	380.84	9.95	-37.75
C1=CC2=CC=C3CCN(C4=NN=C(CC5=N[N-]N=N5)N4CC4CC4)CC3=C2C=C1	REAL300020297664	1	50	-1.0	-47.68	380.78	9.93	-37.75
C1=CC2=C3C(=C1)CN(C1=NN=C(CCC4=N[N-]N=N4)N1CC1CC1)CC3CCC2	REAL300020297665	0	54	-1.0	-41.12	408.01	10.63	-30.49
C1=CC2=C3C(=C1)CN(C1=NN=C(CCC4=NN=N[N-]4)N1CC1CC1)CC3CCC2	REAL300020297665	1	54	-1.0	-41.12	408.07	10.65	-30.47
C1=CC2=C3C(=C1)CN(C1=NN=C(CC4=NN=N[N-]4)N1CC1CC1)CC3CCC2	REAL300020297666	0	51	-1.0	-44.43	402.57	10.53	-33.90
C1=CC2=C3C(=C1)CN(C1=NN=C(CC4=N[N-]N=N4)N1CC1CC1)CC3CCC2	REAL300020297666	1	51	-1.0	-44.42	402.51	10.52	-33.90
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCC2(CC1)OCCO2	REAL300020297667	0	55	-1.0	-43.02	423.66	7.64	-35.38
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCC2(CC1)OCCO2	REAL300020297667	1	55	-1.0	-43.00	423.72	7.66	-35.34
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCC2(CC1)OCCO2	REAL300020297668	0	52	-1.0	-48.76	394.05	7.08	-41.68
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCC2(CC1)OCCO2	REAL300020297668	1	52	-1.0	-48.76	394.08	7.10	-41.66
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C(C)C1CCC1	REAL300020297669	0	52	-1.0	-40.03	398.46	9.22	-30.81
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C(C)C1CCC1	REAL300020297669	1	52	-1.0	-40.03	398.52	9.23	-30.80
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C(C)C1CCC1	REAL300020297670	0	49	-1.0	-42.71	383.40	8.52	-34.19
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C(C)C1CCC1	REAL300020297670	1	49	-1.0	-42.71	383.46	8.53	-34.18
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C(C)C1CCC1	REAL300020297671	0	56	-1.0	-42.08	411.73	11.14	-30.94
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C(C)C1CCC1	REAL300020297671	1	56	-1.0	-42.16	412.02	11.15	-31.01
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297672	0	54	-1.0	-41.77	426.59	8.75	-33.02
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297672	1	54	-1.0	-41.78	426.65	8.77	-33.01
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297673	0	51	-1.0	-43.20	397.18	8.15	-35.05
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297673	1	51	-1.0	-43.22	397.21	8.17	-35.05
ClC1=C(Cl)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297674	0	41	-1.0	-38.39	360.31	8.59	-29.80
ClC1=C(Cl)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297674	1	41	-1.0	-38.39	360.37	8.60	-29.79
ClC1=C(Cl)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297675	0	38	-1.0	-43.59	340.46	6.90	-36.69
ClC1=C(Cl)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297675	1	38	-1.0	-43.55	340.52	6.93	-36.62
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297676	0	49	-1.0	-42.33	395.17	10.49	-31.84
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297676	1	49	-1.0	-42.34	395.23	10.51	-31.83
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297677	0	46	-1.0	-44.12	382.13	8.81	-35.31
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297677	1	46	-1.0	-44.09	382.07	8.81	-35.28
OC1(C2=CC=CC=C2F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297678	0	51	-1.0	-45.59	407.28	7.08	-38.51
OC1(C2=CC=CC=C2F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297678	1	51	-1.0	-45.63	407.33	7.09	-38.54
OC1(C2=CC=CC=C2F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297679	0	48	-1.0	-48.34	393.93	6.23	-42.11
OC1(C2=CC=CC=C2F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297679	1	48	-1.0	-48.34	393.99	6.25	-42.09
C(CC1=NN=C(N2CCCC23CC3)N1CC1CC1)C1=N[N-]N=N1	REAL300020297680	0	44	-1.0	-43.01	342.27	7.32	-35.69
C(CC1=NN=C(N2CCCC23CC3)N1CC1CC1)C1=NN=N[N-]1	REAL300020297680	1	44	-1.0	-43.00	342.33	7.33	-35.67
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC23CC3)N1CC1CC1	REAL300020297681	0	41	-1.0	-43.07	331.24	6.90	-36.17
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC23CC3)N1CC1CC1	REAL300020297681	1	41	-1.0	-43.07	331.18	6.87	-36.20
C1=CC(C2=NN=C(N3CCCC34CC4)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020297682	0	48	-1.0	-45.00	365.82	9.13	-35.87
C1=CC(C2=NN=C(N3CCCC34CC4)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020297682	1	48	-1.0	-44.98	365.86	9.12	-35.86
CC1=CC=C(C2(C)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020297683	0	56	-1.0	-43.93	424.12	11.24	-32.69
CC1=CC=C(C2(C)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020297683	1	56	-1.0	-43.90	424.16	11.27	-32.63
C(CC1=NN=C(N2CCC3(CCSC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297684	0	48	-1.0	-39.94	384.35	8.81	-31.13
C(CC1=NN=C(N2CCC3(CCSC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297684	1	48	-1.0	-39.96	384.40	8.83	-31.13
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCSC3)C2)N1CC1CC1	REAL300020297685	0	45	-1.0	-41.19	366.76	8.17	-33.02
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCSC3)C2)N1CC1CC1	REAL300020297685	1	45	-1.0	-41.16	366.82	8.19	-32.97
O=C1CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)N1	REAL300020297686	0	48	-1.0	-46.56	387.26	5.27	-41.29
O=C1CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)N1	REAL300020297686	1	48	-1.0	-46.61	387.32	5.29	-41.32
O=C1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)N1	REAL300020297687	0	45	-1.0	-48.28	367.72	4.54	-43.74
O=C1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)N1	REAL300020297687	1	45	-1.0	-48.28	367.79	4.57	-43.71
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297688	0	55	-1.0	-42.21	430.79	12.07	-30.14
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297688	1	55	-1.0	-42.24	430.85	12.09	-30.15
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297689	0	52	-1.0	-40.97	421.85	10.72	-30.25
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297689	1	52	-1.0	-41.01	421.91	10.74	-30.27
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H](C)C1(F)F	REAL300020297690	0	49	-1.0	-40.09	394.90	9.11	-30.98
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)C1(F)F	REAL300020297690	1	49	-1.0	-40.10	394.95	9.13	-30.97
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H](C)C1(F)F	REAL300020297691	0	46	-1.0	-43.16	367.42	8.45	-34.71
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H](C)C1(F)F	REAL300020297691	1	46	-1.0	-43.15	367.44	8.47	-34.68
C(CC1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297692	0	43	-1.0	-43.86	343.66	4.60	-39.26
C(CC1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297692	1	43	-1.0	-43.86	343.72	4.62	-39.24
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1CC1CC1	REAL300020297693	0	40	-1.0	-45.22	332.35	4.06	-41.16
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1CC1CC1	REAL300020297693	1	40	-1.0	-45.20	332.41	4.08	-41.12
C1=CC(C2=NN=C(N3C[C@H]4OCO[C@H]4C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020297694	0	47	-1.0	-45.10	374.05	6.70	-38.40
C1=CC(C2=NN=C(N3C[C@H]4OCO[C@H]4C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020297694	1	47	-1.0	-45.03	374.10	6.69	-38.34
CN(CC1=NN=NN1C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297695	0	44	-1.0	-42.68	366.11	5.10	-37.58
CN(CC1=NN=NN1C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297695	1	44	-1.0	-42.67	366.17	5.12	-37.55
CN(CC1=NN=NN1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297696	0	41	-1.0	-42.10	340.20	4.87	-37.23
CN(CC1=NN=NN1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297696	1	41	-1.0	-42.06	340.14	4.85	-37.21
CN(CC1=NN=NN1C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297697	0	48	-1.0	-47.21	386.06	7.07	-40.14
CN(CC1=NN=NN1C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297697	1	48	-1.0	-47.20	386.11	7.05	-40.15
CN(CCOC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297698	0	47	-1.0	-41.26	379.70	7.30	-33.96
CN(CCOC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297698	1	47	-1.0	-41.24	379.76	7.32	-33.92
CN(CCOC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297699	0	44	-1.0	-46.33	363.19	6.45	-39.88
CN(CCOC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297699	1	44	-1.0	-46.31	363.25	6.46	-39.85
CN(CCOC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297700	0	51	-1.0	-42.94	403.35	9.07	-33.87
CN(CCOC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297700	1	51	-1.0	-42.88	403.39	9.07	-33.81
CC(C)(C)OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297701	0	56	-1.0	-40.23	425.67	8.87	-31.36
CC(C)(C)OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297701	1	56	-1.0	-40.20	425.73	8.89	-31.31
CC(C)(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297702	0	53	-1.0	-42.14	396.19	8.27	-33.87
CC(C)(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297702	1	53	-1.0	-42.17	396.23	8.28	-33.89
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1O	REAL300020297703	0	50	-1.0	-43.82	412.79	4.99	-38.83
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1O	REAL300020297703	1	50	-1.0	-43.84	412.84	5.01	-38.83
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H]1O	REAL300020297704	0	47	-1.0	-46.76	391.22	4.20	-42.56
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1O	REAL300020297704	1	47	-1.0	-46.77	391.28	4.23	-42.54
OC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297705	0	51	-1.0	-43.86	411.72	7.34	-36.52
OC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297705	1	51	-1.0	-43.84	411.78	7.36	-36.48
OC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297706	0	48	-1.0	-45.35	392.91	6.64	-38.71
OC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297706	1	48	-1.0	-45.34	392.97	6.67	-38.67
C[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCC2=CC=C(Cl)C=C21	REAL300020297707	0	50	-1.0	-42.34	413.69	10.70	-31.64
C[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCC2=CC=C(Cl)C=C21	REAL300020297707	1	50	-1.0	-42.33	413.75	10.73	-31.60
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297708	0	49	-1.0	-47.95	395.82	8.58	-39.37
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297708	1	49	-1.0	-48.00	395.88	8.61	-39.39
CC1=CC=C(C2(O)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020297709	0	54	-1.0	-42.58	431.24	8.00	-34.58
CC1=CC=C(C2(O)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020297709	1	54	-1.0	-42.68	431.29	8.02	-34.66
CC1=CC=C(C2(O)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020297710	0	51	-1.0	-43.74	412.75	7.21	-36.53
CC1=CC=C(C2(O)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020297710	1	51	-1.0	-43.76	412.81	7.23	-36.53
COC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020297711	0	47	-1.0	-41.44	389.99	9.16	-32.28
COC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020297711	1	47	-1.0	-41.47	390.04	9.17	-32.30
COC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020297712	0	44	-1.0	-45.84	366.27	8.29	-37.55
COC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020297712	1	44	-1.0	-45.85	366.22	8.27	-37.58
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297713	0	45	-1.0	-41.97	384.90	8.10	-33.87
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297713	1	45	-1.0	-41.99	384.96	8.11	-33.88
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297714	0	42	-1.0	-44.13	362.22	7.91	-36.22
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297714	1	42	-1.0	-44.11	362.25	7.93	-36.18
CC(C)(C)OC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297715	0	56	-1.0	-40.88	437.33	8.85	-32.03
CC(C)(C)OC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297715	1	56	-1.0	-40.92	437.39	8.86	-32.06
CC(C)(C)OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297716	0	53	-1.0	-45.62	406.88	8.13	-37.49
CC(C)(C)OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297716	1	53	-1.0	-45.62	406.89	8.14	-37.48
CC1(C)C2CCC13CCN(C1=NN=C(CCC4=N[N-]N=N4)N1CC1CC1)C3C2	REAL300020297717	0	57	-1.0	-41.64	411.80	11.66	-29.98
CC1(C)C2CCC13CCN(C1=NN=C(CCC4=NN=N[N-]4)N1CC1CC1)C3C2	REAL300020297717	1	57	-1.0	-41.65	411.86	11.68	-29.97
CC1(C)C2CCC13CCN(C1=NN=C(CC4=N[N-]N=N4)N1CC1CC1)C3C2	REAL300020297718	0	54	-1.0	-45.50	390.29	10.88	-34.62
CC1(C)C2CCC13CCN(C1=NN=C(CC4=NN=N[N-]4)N1CC1CC1)C3C2	REAL300020297718	1	54	-1.0	-45.52	390.35	10.90	-34.62
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C1=C2CCCCC2=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297719	1	54	-1.0	-46.25	409.49	10.81	-35.44
CN(CC1=CN=C(N2C=CC=N2)S1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297720	0	46	-1.0	-44.28	409.29	8.22	-36.06
CN(CC1=CN=C(N2C=CC=N2)S1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297720	1	46	-1.0	-44.30	409.24	8.19	-36.11
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297721	0	44	-1.0	-44.03	368.98	8.12	-35.91
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297721	1	44	-1.0	-43.99	369.04	8.13	-35.86
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297722	0	41	-1.0	-47.42	344.17	7.29	-40.13
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297722	1	41	-1.0	-47.44	344.23	7.31	-40.13
N#CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020297723	0	48	-1.0	-49.44	379.86	9.20	-40.24
N#CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020297723	1	48	-1.0	-49.44	379.90	9.20	-40.24
FC1(F)CC1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297724	0	50	-1.0	-43.46	408.18	10.08	-33.38
FC1(F)CC1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297724	1	50	-1.0	-43.47	408.24	10.09	-33.38
FC1(F)CC1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297725	0	47	-1.0	-46.15	378.91	9.21	-36.94
FC1(F)CC1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297725	1	47	-1.0	-46.16	378.95	9.23	-36.93
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297726	0	56	-1.0	-42.60	447.64	8.45	-34.15
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297726	1	56	-1.0	-42.58	447.70	8.46	-34.12
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297727	0	53	-1.0	-44.04	426.13	7.66	-36.38
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297727	1	53	-1.0	-44.04	426.19	7.69	-36.35
NC(=O)C(F)(F)C1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297728	0	48	-1.0	-45.88	385.05	2.58	-43.30
NC(=O)C(F)(F)C1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297728	1	48	-1.0	-45.86	385.10	2.61	-43.25
CCCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297729	0	51	-1.0	-41.47	395.09	9.46	-32.01
CCCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297729	1	51	-1.0	-41.49	395.14	9.48	-32.01
CCCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297730	0	48	-1.0	-47.40	378.34	8.74	-38.66
CCCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297730	1	48	-1.0	-47.44	378.40	8.76	-38.68
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297731	0	55	-1.0	-43.02	418.87	11.32	-31.70
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297731	1	55	-1.0	-43.00	418.91	11.31	-31.69
F[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1C1=CC=CC=C1	REAL300020297732	0	50	-1.0	-46.09	395.00	10.09	-36.00
F[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C1=CC=CC=C1	REAL300020297732	1	50	-1.0	-46.06	395.06	10.10	-35.96
F[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]1C1=CC=CC=C1	REAL300020297733	0	47	-1.0	-45.57	386.60	9.73	-35.84
F[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]1C1=CC=CC=C1	REAL300020297733	1	47	-1.0	-45.55	386.65	9.75	-35.80
FC1=CC=C(CN2C=C(NC3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C=N2)C=C1	REAL300020297734	0	47	-1.0	-51.47	407.81	11.00	-40.47
FC1=CC=C(CN2C=C(NC3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C=N2)C=C1	REAL300020297734	1	47	-1.0	-51.47	407.75	10.98	-40.49
O=C1NCCC1N1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020297735	0	48	-1.0	-48.96	402.73	7.17	-41.79
O=C1NCCC1N1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020297735	1	48	-1.0	-48.94	402.67	7.15	-41.79
O=C1NCCC1N1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020297736	0	45	-1.0	-54.34	378.41	6.40	-47.94
O=C1NCCC1N1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020297736	1	45	-1.0	-54.35	378.35	6.39	-47.96
C#CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297737	0	49	-1.0	-44.46	397.75	8.28	-36.18
C#CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297737	1	49	-1.0	-44.47	397.80	8.30	-36.17
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297738	0	46	-1.0	-47.71	368.34	7.69	-40.02
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297738	1	46	-1.0	-47.76	368.40	7.70	-40.06
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCSCC1	REAL300020297739	0	47	-1.0	-39.90	373.95	8.68	-31.22
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCSCC1	REAL300020297739	1	47	-1.0	-39.87	374.00	8.70	-31.17
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCSCC1	REAL300020297740	0	44	-1.0	-42.65	353.82	7.30	-35.35
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCSCC1	REAL300020297740	1	44	-1.0	-42.62	353.88	7.32	-35.30
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CCSCC1	REAL300020297741	0	51	-1.0	-41.83	398.72	10.50	-31.33
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CCSCC1	REAL300020297741	1	51	-1.0	-41.81	398.76	10.48	-31.33
O=C1NCCC1N1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020297742	0	48	-1.0	-50.19	399.88	6.09	-44.10
O=C1NCCC1N1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020297742	1	48	-1.0	-50.23	399.82	6.07	-44.16
O=C1NCCC1N1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020297743	0	45	-1.0	-54.33	373.46	5.60	-48.73
O=C1NCCC1N1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020297743	1	45	-1.0	-54.33	373.42	5.58	-48.75
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297744	0	55	-1.0	-39.63	442.53	11.87	-27.76
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297744	1	55	-1.0	-39.61	442.58	11.89	-27.72
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297745	0	52	-1.0	-41.67	417.18	11.18	-30.49
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297745	1	52	-1.0	-41.70	417.24	11.20	-30.50
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297746	0	46	-1.0	-42.45	396.20	9.50	-32.95
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297746	1	46	-1.0	-42.44	396.26	9.52	-32.92
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297747	0	43	-1.0	-51.62	362.42	9.02	-42.60
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297747	1	43	-1.0	-51.63	362.45	9.04	-42.59
CN(CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297748	0	50	-1.0	-46.44	419.88	9.74	-36.70
CN(CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297748	1	50	-1.0	-46.39	419.82	9.73	-36.66
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCC(C(F)F)CC1	REAL300020297749	0	52	-1.0	-41.83	408.75	10.35	-31.48
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCC(C(F)F)CC1	REAL300020297749	1	52	-1.0	-41.87	408.81	10.37	-31.50
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCC(C(F)F)CC1	REAL300020297750	0	49	-1.0	-49.91	386.14	8.85	-41.06
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCC(C(F)F)CC1	REAL300020297750	1	49	-1.0	-49.93	386.21	8.87	-41.06
COC(=O)C1(CF)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297751	0	49	-1.0	-46.98	394.37	7.94	-39.04
COC(=O)C1(CF)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297751	1	49	-1.0	-46.99	394.43	7.95	-39.04
COC(=O)C1(CF)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297752	0	46	-1.0	-49.88	376.74	7.29	-42.59
COC(=O)C1(CF)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297752	1	46	-1.0	-49.87	376.80	7.32	-42.55
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COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297757	0	44	-1.0	-41.41	353.83	5.93	-35.48
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297757	1	44	-1.0	-41.43	353.89	5.95	-35.48
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297758	0	41	-1.0	-44.79	332.47	5.17	-39.62
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297758	1	41	-1.0	-44.77	332.42	5.14	-39.63
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020297759	0	48	-1.0	-43.06	384.83	8.06	-35.00
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020297759	1	48	-1.0	-43.03	384.85	8.04	-34.99
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C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297760	1	54	-1.0	-41.89	431.39	10.24	-31.65
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297761	0	51	-1.0	-44.61	422.68	8.88	-35.73
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297761	1	51	-1.0	-44.59	422.63	8.86	-35.73
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CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020297764	1	47	-1.0	-41.08	382.53	9.68	-31.40
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2=C1	REAL300020297765	0	44	-1.0	-43.96	358.67	8.72	-35.24
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2=C1	REAL300020297765	1	44	-1.0	-43.95	358.61	8.69	-35.26
CC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CC3CC3)CC2=C1	REAL300020297766	0	51	-1.0	-42.65	403.81	11.27	-31.38
CC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CC3CC3)CC2=C1	REAL300020297766	1	51	-1.0	-42.62	403.85	11.26	-31.36
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297767	0	47	-1.0	-45.20	369.19	6.92	-38.28
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297767	1	47	-1.0	-45.25	369.25	6.93	-38.32
CC1CN2N=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297768	0	44	-1.0	-49.71	356.75	6.00	-43.71
CC1CN2N=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297768	1	44	-1.0	-49.69	356.69	5.97	-43.72
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCN1S(C)(=O)=O	REAL300020297769	0	51	-1.0	-48.09	387.56	4.49	-43.60
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1S(C)(=O)=O	REAL300020297769	1	51	-1.0	-48.05	387.57	4.50	-43.55
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CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297772	0	56	-1.0	-40.76	435.94	11.54	-29.22
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297772	1	56	-1.0	-40.77	436.00	11.56	-29.21
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297773	0	53	-1.0	-43.43	414.54	10.74	-32.69
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297773	1	53	-1.0	-43.37	414.59	10.77	-32.60
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@@H]2CCO[C@@H]21	REAL300020297774	0	57	-1.0	-41.17	413.47	9.38	-31.79
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@@H]2CCO[C@@H]21	REAL300020297774	1	57	-1.0	-41.24	413.53	9.40	-31.84
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@@H]2CCO[C@@H]21	REAL300020297775	0	54	-1.0	-44.63	392.08	8.77	-35.86
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@@H]2CCO[C@@H]21	REAL300020297775	1	54	-1.0	-44.65	392.14	8.79	-35.86
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020297776	0	50	-1.0	-39.42	394.74	7.62	-31.80
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020297776	1	50	-1.0	-39.46	394.79	7.63	-31.83
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020297777	0	47	-1.0	-41.40	364.95	6.86	-34.54
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020297777	1	47	-1.0	-41.42	365.00	6.88	-34.54
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020297778	0	54	-1.0	-40.95	424.03	9.55	-31.40
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020297778	1	54	-1.0	-40.88	424.07	9.54	-31.34
C(CC1=NN=C(N2CCCC3(CCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297779	0	53	-1.0	-39.34	395.45	9.76	-29.58
C(CC1=NN=C(N2CCCC3(CCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297779	1	53	-1.0	-39.36	395.51	9.78	-29.58
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCC3)CC2)N1CC1CC1	REAL300020297780	0	50	-1.0	-41.58	376.86	9.09	-32.49
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCC3)CC2)N1CC1CC1	REAL300020297780	1	50	-1.0	-41.56	376.92	9.12	-32.44
COC1=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=CC=C1C	REAL300020297781	0	47	-1.0	-42.65	388.04	10.01	-32.64
COC1=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=CC=C1C	REAL300020297781	1	47	-1.0	-42.67	387.98	10.00	-32.67
COC1=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=CC=C1C	REAL300020297782	0	44	-1.0	-44.19	366.57	9.24	-34.95
COC1=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=CC=C1C	REAL300020297782	1	44	-1.0	-44.14	366.52	9.22	-34.92
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O=C1C=CC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)N1	REAL300020297783	1	47	-1.0	-49.14	380.32	5.57	-43.57
O=C1C=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)N1	REAL300020297784	0	44	-1.0	-50.56	351.56	5.11	-45.45
O=C1C=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)N1	REAL300020297784	1	44	-1.0	-50.57	351.48	5.09	-45.48
CC1C2=CC=C(Cl)C=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297785	0	50	-1.0	-41.98	405.68	9.68	-32.30
CC1C2=CC=C(Cl)C=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297785	1	50	-1.0	-41.97	405.74	9.69	-32.28
CC1C2=CC=C(Cl)C=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297786	0	47	-1.0	-44.07	388.25	9.04	-35.03
CC1C2=CC=C(Cl)C=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297786	1	47	-1.0	-44.07	388.30	9.07	-35.00
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(F)F	REAL300020297787	0	47	-1.0	-43.90	388.21	8.89	-35.01
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(F)F	REAL300020297787	1	47	-1.0	-43.93	388.27	8.90	-35.03
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(F)F	REAL300020297788	0	44	-1.0	-48.07	366.42	8.26	-39.81
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(F)F	REAL300020297788	1	44	-1.0	-48.06	366.45	8.28	-39.78
OC1(CC2=CC=CC(F)=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297789	0	51	-1.0	-44.52	418.65	7.33	-37.19
OC1(CC2=CC=CC(F)=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297789	1	51	-1.0	-44.55	418.71	7.35	-37.20
C1=CC=C2C(=C1)CCC21CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297790	0	54	-1.0	-42.13	421.25	11.15	-30.98
C1=CC=C2C(=C1)CCC21CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297790	1	54	-1.0	-42.12	421.31	11.17	-30.95
C1=CC=C2C(=C1)CCC21CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297791	0	51	-1.0	-44.76	401.77	10.55	-34.21
C1=CC=C2C(=C1)CCC21CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297791	1	51	-1.0	-44.79	401.83	10.58	-34.21
CC1(C)C[C@H]2OCC[C@H]2CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297792	0	57	-1.0	-40.26	405.73	8.49	-31.77
CC1(C)C[C@H]2OCC[C@H]2CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297792	1	57	-1.0	-40.30	405.78	8.51	-31.79
CC1(C)C[C@H]2OCC[C@H]2CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297793	0	54	-1.0	-43.79	384.51	7.84	-35.95
CC1(C)C[C@H]2OCC[C@H]2CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297793	1	54	-1.0	-43.78	384.57	7.85	-35.93
O=C1CCCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2N1	REAL300020297794	0	51	-1.0	-44.16	393.39	5.88	-38.28
O=C1CCCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2N1	REAL300020297794	1	51	-1.0	-44.16	393.45	5.89	-38.27
O=C1CCCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2N1	REAL300020297795	0	48	-1.0	-44.01	374.97	5.20	-38.81
O=C1CCCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2N1	REAL300020297795	1	48	-1.0	-44.04	375.03	5.22	-38.82
CCC=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297796	0	47	-1.0	-40.75	370.47	8.74	-32.01
CCC=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297796	1	47	-1.0	-40.73	370.52	8.76	-31.97
CCC=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297797	0	44	-1.0	-43.76	352.89	8.12	-35.64
CCC=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297797	1	44	-1.0	-43.78	352.84	8.10	-35.68
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020297798	0	51	-1.0	-42.29	397.71	10.68	-31.61
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020297798	1	51	-1.0	-42.28	397.75	10.66	-31.62
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297799	0	48	-1.0	-48.93	406.01	3.21	-45.72
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297799	1	48	-1.0	-48.97	406.06	3.23	-45.74
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297800	0	45	-1.0	-49.45	384.09	2.29	-47.16
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297800	1	45	-1.0	-49.40	384.14	2.31	-47.09
OCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297801	0	50	-1.0	-42.53	388.19	5.70	-36.83
OCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297801	1	50	-1.0	-42.52	388.25	5.72	-36.80
OCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297802	0	47	-1.0	-44.72	358.70	5.09	-39.63
OCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297802	1	47	-1.0	-44.73	358.75	5.12	-39.61
OCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020297803	0	54	-1.0	-44.18	412.38	7.50	-36.68
OCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020297803	1	54	-1.0	-44.25	412.41	7.49	-36.76
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FC(F)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297804	1	46	-1.0	-41.49	373.47	8.63	-32.86
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C#CCN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020297809	0	39	-1.0	-51.07	347.24	8.44	-42.63
C#CCN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020297809	1	39	-1.0	-51.05	347.19	8.41	-42.64
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C[NH+]1CC23CCCC2(CN(C2=NN=C(CCC4=NN=N[N-]4)N2CC2CC2)C3)C1	REAL300020297811	1	57	0.0	-70.10	422.08	9.46	-60.64
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=N[N-]N=N4)N2CC2CC2)C3)C1	REAL300020297812	0	54	0.0	-60.81	402.35	8.80	-52.01
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=NN=N[N-]4)N2CC2CC2)C3)C1	REAL300020297812	1	54	0.0	-60.77	402.40	8.83	-51.94
CC1CC2(CCCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297813	0	53	-1.0	-40.19	407.19	9.73	-30.46
CC1CC2(CCCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297813	1	53	-1.0	-40.21	407.25	9.75	-30.46
CC1CC2(CCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297814	0	50	-1.0	-44.88	377.12	9.18	-35.70
CC1CC2(CCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297814	1	50	-1.0	-44.88	377.18	9.19	-35.69
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CCOC1	REAL300020297815	0	47	-1.0	-41.67	370.26	5.87	-35.80
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CCOC1	REAL300020297815	1	47	-1.0	-41.64	370.32	5.89	-35.75
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CCOC1	REAL300020297816	0	44	-1.0	-47.09	340.33	4.91	-42.18
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CCOC1	REAL300020297816	1	44	-1.0	-47.15	340.38	4.93	-42.22
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CCOC1	REAL300020297817	0	51	-1.0	-43.17	403.09	7.84	-35.33
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CCOC1	REAL300020297817	1	51	-1.0	-43.17	403.12	7.83	-35.34
CC12CCCC1N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CCC2	REAL300020297818	0	53	-1.0	-40.83	398.60	9.89	-30.94
CC12CCCC1N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CCC2	REAL300020297818	1	53	-1.0	-40.81	398.65	9.91	-30.90
CC12CCCC1N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CCC2	REAL300020297819	0	50	-1.0	-42.72	380.21	9.12	-33.60
CC12CCCC1N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CCC2	REAL300020297819	1	50	-1.0	-42.74	380.27	9.14	-33.60
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CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020297822	0	53	-1.0	-41.77	424.91	11.41	-30.36
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020297822	1	53	-1.0	-41.75	424.96	11.43	-30.32
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020297823	0	50	-1.0	-45.25	388.78	10.40	-34.85
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020297823	1	50	-1.0	-45.24	388.83	10.42	-34.82
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297824	0	46	-1.0	-42.80	398.38	7.38	-35.42
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297824	1	46	-1.0	-42.81	398.44	7.40	-35.41
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297825	0	43	-1.0	-45.18	378.18	7.04	-38.14
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CCN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297831	1	55	-1.0	-41.92	424.78	7.60	-34.32
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C=CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297835	1	47	-1.0	-39.31	381.24	8.88	-30.43
C=CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297836	0	44	-1.0	-43.11	353.34	8.22	-34.89
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C=CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020297837	1	51	-1.0	-41.72	401.12	10.86	-30.86
C(CC1=NN=C(N2CC3(CCC3)OC3(CCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297838	0	55	-1.0	-39.64	426.90	8.98	-30.66
C(CC1=NN=C(N2CC3(CCC3)OC3(CCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297838	1	55	-1.0	-39.67	426.95	9.00	-30.67
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CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCN1C1CC1	REAL300020297845	0	52	-1.0	-39.82	410.92	7.44	-32.38
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1C1CC1	REAL300020297845	1	53	0.0	-62.53	407.96	9.49	-53.04
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1C1CC1	REAL300020297845	1	53	0.0	-62.37	404.97	9.37	-53.00
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCN1C1CC1	REAL300020297845	1	52	-1.0	-39.81	410.98	7.45	-32.36
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@@H+]1C1CC1	REAL300020297846	0	50	0.0	-62.96	376.15	8.84	-54.12
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[N@H+]1C1CC1	REAL300020297846	1	50	0.0	-59.12	388.18	8.83	-50.29
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@@H+]1C1CC1	REAL300020297846	1	50	0.0	-62.97	376.21	8.86	-54.11
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[N@H+]1C1CC1	REAL300020297846	1	50	0.0	-59.13	388.24	8.86	-50.27
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CC1(C)CC2(CO1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CCO2	REAL300020297848	1	52	-1.0	-42.03	407.37	6.24	-35.79
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C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297852	0	46	-1.0	-39.90	374.09	8.37	-31.53
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297852	1	46	-1.0	-39.87	374.15	8.39	-31.48
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297853	0	43	-1.0	-42.63	349.72	7.61	-35.02
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297853	1	43	-1.0	-42.63	349.77	7.62	-35.01
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CC1N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCC1(F)F	REAL300020297861	0	47	-1.0	-42.55	384.78	9.66	-32.89
CC1N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCC1(F)F	REAL300020297861	1	47	-1.0	-42.54	384.83	9.65	-32.89
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297862	0	53	-1.0	-43.51	428.78	10.91	-32.60
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297862	1	53	-1.0	-43.54	428.84	10.93	-32.61
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297863	0	50	-1.0	-48.29	408.88	10.21	-38.08
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297863	1	50	-1.0	-48.28	408.83	10.19	-38.09
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CN1N=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1C1=CC=C(F)C=C1	REAL300020297864	1	47	-1.0	-48.37	396.16	11.29	-37.08
C(CC1=NN=C(N2CCCCCCCCCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297865	0	58	-1.0	-39.41	422.74	11.05	-28.36
C(CC1=NN=C(N2CCCCCCCCCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297865	1	58	-1.0	-39.41	422.79	11.07	-28.34
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCCCCC2)N1CC1CC1	REAL300020297866	0	55	-1.0	-44.36	401.49	8.58	-35.78
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCCCCC2)N1CC1CC1	REAL300020297866	1	55	-1.0	-44.38	401.54	8.59	-35.79
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297867	0	50	-1.0	-41.00	382.34	9.43	-31.57
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297867	1	50	-1.0	-41.04	382.40	9.44	-31.60
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCC3)C2)N1CC1CC1	REAL300020297868	0	47	-1.0	-43.80	352.94	8.83	-34.97
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCC3)C2)N1CC1CC1	REAL300020297868	1	47	-1.0	-43.80	353.00	8.85	-34.95
C1=CC(C2=NN=C(N3CCCC4(CCC4)C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020297869	0	54	-1.0	-42.55	406.69	11.25	-31.30
C1=CC(C2=NN=C(N3CCCC4(CCC4)C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020297869	1	54	-1.0	-42.56	406.73	11.24	-31.32
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CC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020297876	1	47	-1.0	-40.43	380.05	7.09	-33.34
CC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020297877	0	44	-1.0	-43.18	349.17	6.11	-37.07
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CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020297878	0	51	-1.0	-42.66	394.77	8.71	-33.95
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020297878	1	51	-1.0	-42.73	394.80	8.68	-34.05
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C[C@@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297889	1	44	-1.0	-39.47	366.18	7.11	-32.36
C[C@@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297890	0	41	-1.0	-40.79	341.25	6.43	-34.36
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C[C@@H]1CSCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297891	0	48	-1.0	-41.25	394.94	8.92	-32.33
C[C@@H]1CSCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297891	1	48	-1.0	-41.21	394.98	8.90	-32.31
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C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297895	1	50	-1.0	-44.62	413.33	10.15	-34.47
C(CC1=NN=C(N2CCCCC3(CCCC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297896	0	56	-1.0	-40.43	404.56	11.89	-28.54
C(CC1=NN=C(N2CCCCC3(CCCC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297896	1	56	-1.0	-40.43	404.61	11.90	-28.53
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC3(CCCC3)C2)N1CC1CC1	REAL300020297897	0	53	-1.0	-43.59	375.15	11.30	-32.29
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC3(CCCC3)C2)N1CC1CC1	REAL300020297897	1	53	-1.0	-43.61	375.21	11.31	-32.30
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297898	0	50	-1.0	-41.99	408.23	11.00	-30.99
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CN(CC1=NC2=C(C=NN2C)C(=O)N1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297900	0	48	-1.0	-44.86	409.70	6.42	-38.44
CN(CC1=NC2=C(C=NN2C)C(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297900	1	48	-1.0	-44.88	409.75	6.44	-38.44
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FC(F)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297902	0	45	-1.0	-45.35	371.39	5.59	-39.76
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CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297905	0	48	-1.0	-50.88	399.92	2.98	-47.90
CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297905	1	48	-1.0	-50.93	399.98	3.00	-47.93
CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297906	0	45	-1.0	-50.47	380.05	2.24	-48.23
CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297906	1	45	-1.0	-50.49	380.11	2.26	-48.23
FC(F)(F)C1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297907	0	46	-1.0	-40.67	384.85	8.83	-31.84
FC(F)(F)C1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297907	1	46	-1.0	-40.72	384.90	8.85	-31.87
FC(F)(F)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297908	0	43	-1.0	-41.41	368.28	7.87	-33.54
FC(F)(F)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297908	1	43	-1.0	-41.45	368.34	7.90	-33.55
FC(F)(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCC1(F)F	REAL300020297909	0	43	-1.0	-42.61	357.26	7.33	-35.28
FC(F)(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCC1(F)F	REAL300020297909	1	43	-1.0	-42.68	357.32	7.35	-35.33
C1=C2COCCN2N=C1NC1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297910	0	45	-1.0	-43.97	373.75	8.03	-35.94
C1=C2COCCN2N=C1NC1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297910	1	45	-1.0	-44.02	373.81	8.04	-35.98
C1=C2COCCN2N=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297911	0	42	-1.0	-48.46	349.52	7.28	-41.18
C1=C2COCCN2N=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297911	1	42	-1.0	-48.47	349.46	7.26	-41.21
OC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CCO2	REAL300020297912	0	49	-1.0	-42.10	403.41	5.80	-36.30
OC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CCO2	REAL300020297912	1	49	-1.0	-42.15	403.46	5.82	-36.33
OC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CCO2	REAL300020297913	0	46	-1.0	-46.90	375.51	5.18	-41.72
OC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CCO2	REAL300020297913	1	46	-1.0	-46.88	375.49	5.15	-41.73
OCCOCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297914	0	56	-1.0	-44.65	444.51	2.95	-41.70
OCCOCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297914	1	56	-1.0	-44.65	444.57	2.96	-41.69
OCCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297914	1	57	0.0	-67.19	450.20	5.26	-61.93
OCCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297915	0	53	-1.0	-46.25	427.66	2.21	-44.04
OCCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297915	1	53	-1.0	-46.23	427.73	2.24	-43.99
OCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297915	1	54	0.0	-64.96	428.70	4.48	-60.48
CC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297916	0	50	-1.0	-41.96	388.68	5.61	-36.35
CC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297916	1	50	-1.0	-41.98	388.74	5.62	-36.36
CC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297917	0	47	-1.0	-44.21	359.79	4.69	-39.52
CC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297917	1	47	-1.0	-44.20	359.84	4.71	-39.49
CC1(CO)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020297918	0	54	-1.0	-43.53	412.92	7.45	-36.08
CC1(CO)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020297918	1	54	-1.0	-43.53	412.95	7.44	-36.09
N#CC12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC1CCCCC2	REAL300020297919	0	54	-1.0	-40.85	412.89	9.56	-31.29
N#CC12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC1CCCCC2	REAL300020297919	1	54	-1.0	-40.89	412.94	9.58	-31.31
N#CC12CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC1CCCCC2	REAL300020297920	0	51	-1.0	-45.11	392.05	8.80	-36.31
N#CC12CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC1CCCCC2	REAL300020297920	1	51	-1.0	-45.17	392.11	8.82	-36.35
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297921	0	50	-1.0	-53.23	384.93	4.10	-49.13
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297921	1	50	-1.0	-53.19	384.99	4.12	-49.07
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297922	0	47	-1.0	-50.27	374.14	3.88	-46.39
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297922	1	47	-1.0	-50.29	374.20	3.90	-46.39
CC1(C2=CC=C(Cl)C=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297923	0	50	-1.0	-45.19	415.29	10.46	-34.73
CC1(C2=CC=C(Cl)C=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297923	1	50	-1.0	-45.17	415.35	10.49	-34.68
CN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297924	0	47	-1.0	-42.28	371.97	6.73	-35.55
CN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297924	1	47	-1.0	-42.32	372.04	6.74	-35.58
CN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297925	0	44	-1.0	-42.86	354.49	6.07	-36.79
CN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297925	1	44	-1.0	-42.87	354.55	6.09	-36.78
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297926	0	51	-1.0	-44.20	394.56	8.56	-35.64
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297926	1	51	-1.0	-44.19	394.60	8.56	-35.63
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297927	0	45	-1.0	-42.40	366.18	8.26	-34.14
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297927	1	45	-1.0	-42.38	366.24	8.27	-34.11
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297928	0	42	-1.0	-45.35	348.81	7.66	-37.69
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297928	1	42	-1.0	-45.36	348.76	7.63	-37.73
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020297929	0	49	-1.0	-43.26	389.05	10.15	-33.11
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020297929	1	49	-1.0	-43.23	389.09	10.15	-33.08
CC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCO2)S1	REAL300020297930	0	48	-1.0	-43.44	409.74	8.21	-35.23
CC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCO2)S1	REAL300020297930	1	48	-1.0	-43.44	409.80	8.23	-35.21
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297931	0	49	-1.0	-42.88	415.58	10.24	-32.64
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297931	1	49	-1.0	-42.86	415.64	10.25	-32.61
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297932	0	46	-1.0	-46.12	394.70	9.49	-36.63
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297932	1	46	-1.0	-46.19	394.76	9.51	-36.68
CNC(=O)C1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297933	0	53	-1.0	-45.59	407.34	6.55	-39.04
CNC(=O)C1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297933	1	53	-1.0	-45.55	407.40	6.56	-38.99
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297934	0	50	-1.0	-49.97	389.61	5.90	-44.07
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297934	1	50	-1.0	-49.93	389.66	5.93	-44.00
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCN1S(C)(=O)=O	REAL300020297935	0	51	-1.0	-49.68	412.52	4.86	-44.82
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCN1S(C)(=O)=O	REAL300020297935	1	51	-1.0	-49.66	412.57	4.88	-44.78
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCN1S(C)(=O)=O	REAL300020297936	0	48	-1.0	-53.64	390.05	3.99	-49.65
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCN1S(C)(=O)=O	REAL300020297936	1	48	-1.0	-53.66	390.11	4.01	-49.65
CN(CC1=NC=C(Cl)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297937	0	42	-1.0	-43.69	376.24	8.20	-35.49
CN(CC1=NC=C(Cl)C=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297937	1	42	-1.0	-43.72	376.28	8.23	-35.49
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020297938	0	50	-1.0	-40.09	408.23	11.00	-29.09
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020297938	1	50	-1.0	-40.12	408.29	11.01	-29.11
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020297939	0	47	-1.0	-42.98	399.59	9.65	-33.33
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020297939	1	47	-1.0	-42.95	399.53	9.63	-33.32
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(CCO)O1	REAL300020297940	0	54	-1.0	-41.10	415.01	4.58	-36.52
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(CCO)O1	REAL300020297940	1	54	-1.0	-41.09	415.07	4.59	-36.50
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(CCO)O1	REAL300020297941	0	51	-1.0	-44.30	385.56	3.98	-40.32
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(CCO)O1	REAL300020297941	1	51	-1.0	-44.31	385.62	4.00	-40.31
C1=CC(NC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=CC=[NH+]1	REAL300020297942	0	55	0.0	-62.19	439.14	8.29	-53.90
C1=CC(NC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=CC=[NH+]1	REAL300020297942	1	55	0.0	-62.16	439.08	8.28	-53.88
C1=CC(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=CC=[NH+]1	REAL300020297943	0	52	0.0	-67.15	406.57	7.80	-59.35
C1=CC(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=CC=[NH+]1	REAL300020297943	1	52	0.0	-67.17	406.53	7.78	-59.39
FC1(F)CC12CCCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297944	0	50	-1.0	-40.27	400.16	9.79	-30.48
FC1(F)CC12CCCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297944	1	50	-1.0	-40.29	400.22	9.81	-30.48
FC1(F)CC12CCCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297945	0	47	-1.0	-43.43	364.18	8.36	-35.07
FC1(F)CC12CCCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297945	1	47	-1.0	-43.41	364.24	8.38	-35.03
OC1=CC=C(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020297946	0	54	-1.0	-43.24	435.32	8.49	-34.75
OC1=CC=C(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020297946	1	54	-1.0	-43.25	435.38	8.50	-34.75
OC1=CC=C(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1	REAL300020297947	0	51	-1.0	-48.42	412.49	7.68	-40.74
OC1=CC=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1	REAL300020297947	1	51	-1.0	-48.44	412.55	7.70	-40.74
CC(C)(CO)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297948	0	56	-1.0	-40.55	425.79	6.52	-34.03
CC(C)(CO)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297948	1	56	-1.0	-40.53	425.84	6.53	-34.00
CC(C)(CO)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297949	0	53	-1.0	-42.58	404.29	5.73	-36.85
CC(C)(CO)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297949	1	53	-1.0	-42.61	404.35	5.76	-36.85
OC(C1=CC=CC=C1)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297950	0	54	-1.0	-47.40	431.16	8.01	-39.39
OC(C1=CC=CC=C1)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297950	1	54	-1.0	-47.43	431.21	8.02	-39.41
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OC1(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCO2)CC1	REAL300020297951	1	49	-1.0	-44.24	395.94	4.47	-39.77
OC1(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCO2)CC1	REAL300020297952	0	46	-1.0	-46.32	374.40	3.67	-42.65
OC1(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCO2)CC1	REAL300020297952	1	46	-1.0	-46.33	374.45	3.69	-42.64
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CCC4=N[N-]N=N4)N2CC2CC2)C3)C=C1	REAL300020297953	0	54	-1.0	-42.30	429.03	11.89	-30.41
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CCC4=NN=N[N-]4)N2CC2CC2)C3)C=C1	REAL300020297953	1	54	-1.0	-42.30	429.09	11.91	-30.39
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CC4=N[N-]N=N4)N2CC2CC2)C3)C=C1	REAL300020297954	0	51	-1.0	-43.37	410.58	11.21	-32.16
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CC4=NN=N[N-]4)N2CC2CC2)C3)C=C1	REAL300020297954	1	51	-1.0	-43.41	410.63	11.24	-32.17
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297955	0	44	-1.0	-40.84	363.20	8.48	-32.36
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297955	1	44	-1.0	-40.83	363.25	8.50	-32.33
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297956	0	41	-1.0	-42.88	349.13	7.65	-35.23
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297956	1	41	-1.0	-42.87	349.21	7.67	-35.20
FC(F)[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CC1CC1)C2	REAL300020297957	0	48	-1.0	-42.20	391.36	10.29	-31.91
FC(F)[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CC1CC1)C2	REAL300020297957	1	48	-1.0	-42.24	391.40	10.28	-31.96
COC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297958	0	48	-1.0	-39.85	381.89	7.44	-32.41
COC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297958	1	48	-1.0	-39.85	381.94	7.46	-32.39
COC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297959	0	45	-1.0	-43.84	354.01	6.78	-37.06
COC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297959	1	45	-1.0	-43.83	354.04	6.80	-37.03
COC12CC(C1)CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CC1CC1)C2	REAL300020297960	0	52	-1.0	-42.74	401.24	9.45	-33.29
COC12CC(C1)CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CC1CC1)C2	REAL300020297960	1	52	-1.0	-42.80	401.28	9.43	-33.37
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297961	0	52	-1.0	-52.22	405.61	5.29	-46.93
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297961	1	52	-1.0	-52.18	405.66	5.31	-46.87
CC1NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020297962	0	49	-1.0	-57.08	390.48	4.59	-52.49
CC1NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020297962	1	49	-1.0	-57.07	390.54	4.61	-52.46
C(CC1=NN=C(N2CC3CCCCCCC3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297963	0	56	-1.0	-40.44	403.84	10.18	-30.26
C(CC1=NN=C(N2CC3CCCCCCC3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297963	1	56	-1.0	-40.50	403.90	10.19	-30.31
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCCCCC3C2)N1CC1CC1	REAL300020297964	0	53	-1.0	-42.50	386.26	9.52	-32.98
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCCCCC3C2)N1CC1CC1	REAL300020297964	1	53	-1.0	-42.51	386.32	9.55	-32.96
C(CC1=NN=C(N2CCC3(C2)CCSCC3)N1CC1CC1)C1=N[N-]N=N1	REAL300020297965	0	51	-1.0	-40.39	397.73	9.29	-31.10
C(CC1=NN=C(N2CCC3(C2)CCSCC3)N1CC1CC1)C1=NN=N[N-]1	REAL300020297965	1	51	-1.0	-40.43	397.78	9.30	-31.13
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)CCSCC3)N1CC1CC1	REAL300020297966	0	48	-1.0	-44.23	379.78	8.77	-35.46
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)CCSCC3)N1CC1CC1	REAL300020297966	1	48	-1.0	-44.26	379.84	8.79	-35.47
CCCCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297967	0	61	-1.0	-40.53	462.69	12.12	-28.41
CCCCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297967	1	61	-1.0	-40.55	462.75	12.14	-28.41
CCCCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297968	0	58	-1.0	-43.95	429.47	10.94	-33.01
CCCCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297968	1	58	-1.0	-43.97	429.53	10.96	-33.01
CCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297969	0	55	-1.0	-40.81	415.93	9.98	-30.83
CCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297969	1	55	-1.0	-40.84	415.98	10.00	-30.84
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297970	0	52	-1.0	-43.47	390.29	9.96	-33.51
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297970	1	52	-1.0	-43.49	390.34	9.98	-33.51
COC(=O)C(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297971	0	55	-1.0	-47.45	418.09	9.28	-38.17
COC(=O)C(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297971	1	55	-1.0	-47.48	418.11	9.29	-38.19
O=C1CCCC(=O)N1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297972	0	53	-1.0	-51.49	411.41	8.08	-43.41
O=C1CCCC(=O)N1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297972	1	53	-1.0	-51.52	411.43	8.11	-43.41
C(CC1=NN=C(N2CCCC3(C2)OC[C@H]2C[C@H]23)N1CC1CC1)C1=N[N-]N=N1	REAL300020297973	0	52	-1.0	-41.57	400.97	8.55	-33.02
C(CC1=NN=C(N2CCCC3(C2)OC[C@H]2C[C@H]23)N1CC1CC1)C1=NN=N[N-]1	REAL300020297973	1	52	-1.0	-41.58	401.03	8.57	-33.01
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(C2)OC[C@H]2C[C@H]23)N1CC1CC1	REAL300020297974	0	49	-1.0	-47.66	378.32	8.04	-39.62
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(C2)OC[C@H]2C[C@H]23)N1CC1CC1	REAL300020297974	1	49	-1.0	-47.70	378.37	8.04	-39.66
CC1(C)NC(=O)C2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)O1	REAL300020297975	0	52	-1.0	-46.34	403.56	3.61	-42.73
CC1(C)NC(=O)C2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)O1	REAL300020297975	1	52	-1.0	-46.35	403.60	3.63	-42.72
C(CC1=NN=C(N2CCC(OCC3CC3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297976	0	51	-1.0	-40.67	408.62	8.65	-32.02
C(CC1=NN=C(N2CCC(OCC3CC3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297976	1	51	-1.0	-40.63	408.68	8.67	-31.96
C(OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1)C1CC1	REAL300020297977	0	48	-1.0	-41.07	389.35	7.86	-33.21
C(OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1)C1CC1	REAL300020297977	1	48	-1.0	-41.11	389.41	7.88	-33.23
O=P1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297978	0	50	-1.0	-47.64	420.46	8.32	-39.32
O=P1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297978	1	50	-1.0	-47.62	420.52	8.34	-39.28
CCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297979	0	46	-1.0	-42.96	364.73	8.27	-34.69
CCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297979	1	46	-1.0	-43.02	364.78	8.29	-34.73
CCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297980	0	43	-1.0	-44.40	344.81	7.43	-36.97
CCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297980	1	43	-1.0	-44.37	344.87	7.45	-36.92
CCC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020297981	0	50	-1.0	-44.00	389.78	10.00	-34.00
CCC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020297981	1	50	-1.0	-43.97	389.82	9.99	-33.98
CCOC1(OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297982	0	57	-1.0	-39.97	445.03	8.50	-31.47
CCOC1(OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297982	1	57	-1.0	-40.01	445.09	8.52	-31.49
CCOC1(OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297983	0	54	-1.0	-42.08	423.54	7.72	-34.36
CCOC1(OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297983	1	54	-1.0	-42.01	423.60	7.74	-34.27
COC(=O)C1(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)CCC1	REAL300020297984	0	54	-1.0	-45.67	418.56	10.08	-35.59
COC(=O)C1(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)CCC1	REAL300020297984	1	54	-1.0	-45.69	418.61	10.10	-35.59
FC1(F)CC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC21	REAL300020297985	0	44	-1.0	-43.04	354.96	8.16	-34.88
FC1(F)CC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC21	REAL300020297985	1	44	-1.0	-43.02	355.01	8.18	-34.84
FC1(F)CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC21	REAL300020297986	0	41	-1.0	-48.13	334.81	7.55	-40.58
FC1(F)CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC21	REAL300020297986	1	41	-1.0	-48.10	334.86	7.57	-40.53
FC1(F)CC2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CC3CC3)CC21	REAL300020297987	0	48	-1.0	-44.56	383.68	10.14	-34.42
FC1(F)CC2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CC3CC3)CC21	REAL300020297987	1	48	-1.0	-44.52	383.72	10.13	-34.39
C(CC1=NN=C(N2CCCC3(CCO3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020297988	0	48	-1.0	-40.80	383.81	6.88	-33.92
C(CC1=NN=C(N2CCCC3(CCO3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020297988	1	48	-1.0	-40.85	383.86	6.89	-33.96
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCO3)C2)N1CC1CC1	REAL300020297989	0	45	-1.0	-45.01	355.92	6.22	-38.79
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCO3)C2)N1CC1CC1	REAL300020297989	1	45	-1.0	-45.06	355.97	6.25	-38.81
C1=CC(C2=NN=C(N3CCCC4(CCO4)C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020297990	0	52	-1.0	-43.60	398.19	8.75	-34.85
C1=CC(C2=NN=C(N3CCCC4(CCO4)C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020297990	1	52	-1.0	-43.64	398.25	8.73	-34.91
COC(=O)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020297991	0	50	-1.0	-44.20	409.42	7.30	-36.90
COC(=O)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020297991	1	50	-1.0	-44.25	409.48	7.32	-36.93
COC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020297992	0	47	-1.0	-47.73	387.78	6.74	-40.99
COC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020297992	1	47	-1.0	-47.68	387.83	6.76	-40.92
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297993	0	56	-1.0	-40.88	437.38	8.86	-32.02
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297993	1	56	-1.0	-40.91	437.43	8.87	-32.04
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297994	0	53	-1.0	-43.54	409.30	8.19	-35.35
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297994	1	53	-1.0	-43.53	409.36	8.22	-35.31
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297995	0	56	-1.0	-42.22	432.24	8.92	-33.30
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297995	1	56	-1.0	-42.21	432.30	8.94	-33.27
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020297996	0	53	-1.0	-47.53	411.27	8.17	-39.36
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020297996	1	53	-1.0	-47.53	411.33	8.19	-39.34
COC(=O)C(C)(C)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020297997	0	53	-1.0	-51.52	405.24	8.96	-42.56
COC(=O)C(C)(C)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020297997	1	53	-1.0	-51.52	405.28	8.98	-42.54
COC(=O)C12CC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297998	0	47	-1.0	-42.48	383.09	7.92	-34.56
COC(=O)C12CC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297998	1	47	-1.0	-42.53	383.14	7.93	-34.60
COC(=O)C12CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020297999	0	44	-1.0	-44.42	372.18	7.37	-37.05
COC(=O)C12CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020297999	1	44	-1.0	-44.44	372.24	7.39	-37.05
CCC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020298000	0	49	-1.0	-41.81	403.41	11.31	-30.50
CCC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020298000	1	49	-1.0	-41.78	403.46	11.33	-30.45
CCC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020298001	0	46	-1.0	-47.72	379.69	10.44	-37.28
CCC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020298001	1	46	-1.0	-47.70	379.63	10.42	-37.28
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1=CC=C2OCCOC2=C1	REAL300020298002	0	49	-1.0	-42.79	400.57	8.81	-33.98
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1=CC=C2OCCOC2=C1	REAL300020298002	1	49	-1.0	-42.84	400.64	8.83	-34.01
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1=CC=C2OCCOC2=C1	REAL300020298003	0	46	-1.0	-47.37	364.84	9.16	-38.21
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1=CC=C2OCCOC2=C1	REAL300020298003	1	46	-1.0	-47.37	364.78	9.14	-38.23
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298004	0	51	-1.0	-42.80	433.04	10.53	-32.27
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298004	1	51	-1.0	-42.85	433.10	10.54	-32.31
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298005	0	48	-1.0	-45.84	409.27	9.91	-35.93
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298005	1	48	-1.0	-45.86	409.33	9.92	-35.94
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298006	0	48	-1.0	-47.87	415.74	10.28	-37.59
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298006	1	48	-1.0	-47.86	415.79	10.29	-37.57
C1=CC=C2C(=C1)COC21CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298007	0	52	-1.0	-47.96	397.71	8.86	-39.10
C1=CC=C2C(=C1)COC21CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298007	1	52	-1.0	-48.00	397.76	8.87	-39.13
FC(F)(F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(F)F	REAL300020298008	0	43	-1.0	-42.17	370.21	8.09	-34.08
FC(F)(F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(F)F	REAL300020298008	1	43	-1.0	-42.19	370.27	8.11	-34.08
COCCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020298009	0	55	-1.0	-43.27	440.72	5.71	-37.56
COCCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020298009	1	55	-1.0	-43.28	440.78	5.73	-37.55
COCCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020298010	0	52	-1.0	-44.11	422.52	5.04	-39.07
COCCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020298010	1	52	-1.0	-44.11	422.58	5.06	-39.05
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298011	0	54	-1.0	-45.54	434.47	10.39	-35.15
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298011	1	54	-1.0	-45.54	434.53	10.41	-35.13
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298012	0	51	-1.0	-53.30	397.52	9.42	-43.88
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298012	1	51	-1.0	-53.34	397.58	9.43	-43.91
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298013	0	50	-1.0	-42.05	411.97	5.32	-36.73
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298013	1	50	-1.0	-42.09	412.03	5.34	-36.75
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298014	0	47	-1.0	-45.13	389.32	4.51	-40.62
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298014	1	47	-1.0	-45.11	389.38	4.53	-40.58
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298015	0	46	-1.0	-39.78	396.30	9.51	-30.27
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298015	1	46	-1.0	-39.76	396.36	9.52	-30.24
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298016	0	43	-1.0	-42.01	368.98	8.50	-33.51
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298016	1	43	-1.0	-42.02	369.04	8.53	-33.49
COC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020298017	0	51	-1.0	-41.91	405.03	9.19	-32.72
COC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020298017	1	51	-1.0	-41.89	405.09	9.21	-32.68
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020298018	0	48	-1.0	-44.82	371.70	7.96	-36.86
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020298018	1	48	-1.0	-44.77	371.66	7.95	-36.82
COC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020298019	0	50	-1.0	-42.05	407.99	8.83	-33.22
COC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020298019	1	50	-1.0	-42.05	408.05	8.85	-33.20
COC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020298020	0	47	-1.0	-44.54	390.01	7.86	-36.68
COC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020298020	1	47	-1.0	-44.55	389.94	7.86	-36.69
CC(F)(F)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298021	0	49	-1.0	-42.50	386.76	9.13	-33.37
CC(F)(F)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298021	1	49	-1.0	-42.49	386.82	9.14	-33.35
CC(F)(F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298022	0	46	-1.0	-43.48	357.29	8.54	-34.94
CC(F)(F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298022	1	46	-1.0	-43.49	357.32	8.55	-34.94
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298023	0	59	-1.0	-41.97	451.88	9.53	-32.44
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298023	1	59	-1.0	-41.96	451.96	9.54	-32.42
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298024	0	56	-1.0	-46.16	434.45	8.91	-37.25
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298024	1	56	-1.0	-46.16	434.51	8.93	-37.23
OC1=CC(F)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020298025	0	48	-1.0	-45.07	391.93	5.92	-39.15
OC1=CC(F)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020298025	1	48	-1.0	-45.05	391.99	5.93	-39.12
OC1=CC(F)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCC2=C1	REAL300020298026	0	45	-1.0	-46.04	363.19	5.48	-40.56
OC1=CC(F)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC2=C1	REAL300020298026	1	45	-1.0	-46.03	363.22	5.49	-40.54
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1CC2(CC2)C1	REAL300020298027	0	47	-1.0	-40.91	370.15	8.98	-31.93
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1CC2(CC2)C1	REAL300020298027	1	47	-1.0	-40.92	370.22	9.00	-31.92
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1CC2(CC2)C1	REAL300020298028	0	44	-1.0	-44.89	345.56	8.50	-36.39
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1CC2(CC2)C1	REAL300020298028	1	44	-1.0	-44.95	345.60	8.51	-36.44
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1)C1CC2(CC2)C1	REAL300020298029	0	51	-1.0	-42.09	398.70	10.96	-31.13
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1)C1CC2(CC2)C1	REAL300020298029	1	51	-1.0	-42.11	398.74	10.95	-31.16
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC[C@H]1C	REAL300020298030	0	50	-1.0	-40.72	397.86	7.51	-33.21
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[C@H]1C	REAL300020298030	1	50	-1.0	-40.73	397.92	7.53	-33.20
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[C@H]1C	REAL300020298031	0	47	-1.0	-44.48	372.14	6.71	-37.77
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[C@H]1C	REAL300020298031	1	47	-1.0	-44.51	372.18	6.74	-37.77
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC[C@H]1C	REAL300020298032	0	54	-1.0	-42.27	411.94	8.73	-33.54
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC[C@H]1C	REAL300020298032	1	54	-1.0	-42.25	411.97	8.72	-33.53
N#CC(C#N)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298033	0	48	-1.0	-49.22	395.75	8.84	-40.38
N#CC(C#N)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298033	1	48	-1.0	-49.20	395.81	8.85	-40.35
N#CC(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298034	0	45	-1.0	-52.54	366.27	8.24	-44.30
N#CC(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298034	1	45	-1.0	-52.50	366.31	8.25	-44.25
C(CC1=NN=C(N2CCC3CCCC(C3)C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020298035	0	53	-1.0	-40.08	394.54	10.07	-30.01
C(CC1=NN=C(N2CCC3CCCC(C3)C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020298035	1	53	-1.0	-40.11	394.60	10.09	-30.02
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCC(C3)C2)N1CC1CC1	REAL300020298036	0	50	-1.0	-42.31	371.31	9.32	-32.99
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCC(C3)C2)N1CC1CC1	REAL300020298036	1	50	-1.0	-42.30	371.37	9.34	-32.96
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=NO1	REAL300020298037	0	46	-1.0	-46.49	371.59	7.71	-38.78
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=NO1	REAL300020298037	1	46	-1.0	-46.48	371.65	7.73	-38.75
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=NO1	REAL300020298038	0	43	-1.0	-51.19	350.45	7.05	-44.14
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=NO1	REAL300020298038	1	43	-1.0	-51.23	350.51	7.07	-44.16
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=NO1	REAL300020298039	0	46	-1.0	-46.49	371.59	7.71	-38.78
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=NO1	REAL300020298039	1	46	-1.0	-46.48	371.65	7.73	-38.75
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=NO1	REAL300020298040	0	43	-1.0	-51.19	350.45	7.05	-44.14
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=NO1	REAL300020298040	1	43	-1.0	-51.23	350.51	7.07	-44.16
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2C	REAL300020298041	0	52	-1.0	-44.45	419.17	6.30	-38.15
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2C	REAL300020298041	1	52	-1.0	-44.46	419.23	6.32	-38.14
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298042	0	48	-1.0	-41.19	381.38	4.82	-36.37
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298042	1	48	-1.0	-41.19	381.43	4.83	-36.36
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298043	0	45	-1.0	-46.24	342.59	3.50	-42.74
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298043	1	45	-1.0	-46.32	342.65	3.52	-42.80
CC1CC(F)(F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298044	0	43	-1.0	-39.83	352.60	7.69	-32.14
CC1CC(F)(F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298044	1	43	-1.0	-39.86	352.65	7.70	-32.16
CC1CC(F)(F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298045	0	40	-1.0	-41.63	333.97	7.35	-34.28
CC1CC(F)(F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298045	1	40	-1.0	-41.61	334.03	7.36	-34.25
CC1CC(F)(F)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020298046	0	47	-1.0	-41.14	382.50	9.60	-31.54
CC1CC(F)(F)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020298046	1	47	-1.0	-41.09	382.54	9.59	-31.50
C1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020298047	0	49	-1.0	-42.49	398.67	9.07	-33.42
C1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020298047	1	49	-1.0	-42.48	398.72	9.09	-33.39
C1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=C1	REAL300020298048	0	46	-1.0	-46.41	373.12	8.43	-37.98
C1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=C1	REAL300020298048	1	46	-1.0	-46.42	373.16	8.44	-37.98
OC1=CC=C(C2CCCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020298049	0	54	-1.0	-42.23	420.41	8.18	-34.05
OC1=CC=C(C2CCCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020298049	1	54	-1.0	-42.24	420.46	8.19	-34.05
OC1=CC=C(C2CCCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020298050	0	51	-1.0	-46.94	409.99	7.00	-39.94
OC1=CC=C(C2CCCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020298050	1	51	-1.0	-46.95	409.92	6.98	-39.97
O=S1(=O)CCCC2(CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298051	0	50	-1.0	-44.72	378.56	4.60	-40.12
O=S1(=O)CCCC2(CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298051	1	50	-1.0	-44.70	378.60	4.61	-40.09
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298052	0	48	-1.0	-42.16	406.66	10.21	-31.95
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298052	1	48	-1.0	-42.19	406.72	10.22	-31.97
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298053	0	45	-1.0	-42.39	385.16	9.42	-32.97
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298053	1	45	-1.0	-42.37	385.22	9.45	-32.92
COCCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020298054	0	54	-1.0	-42.23	416.32	6.68	-35.55
COCCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020298054	1	54	-1.0	-42.20	416.38	6.69	-35.51
COCCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020298055	0	51	-1.0	-46.57	403.04	6.04	-40.53
COCCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020298055	1	51	-1.0	-46.59	403.10	6.06	-40.53
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298056	0	52	-1.0	-41.86	402.22	9.36	-32.50
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298056	1	52	-1.0	-41.87	402.28	9.38	-32.49
CCCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298057	0	49	-1.0	-42.71	384.62	8.13	-34.58
CCCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298057	1	49	-1.0	-42.64	384.68	8.16	-34.48
CCCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020298058	0	56	-1.0	-41.83	430.40	10.76	-31.07
CCCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020298058	1	56	-1.0	-41.79	430.45	10.75	-31.04
CN1CC2(CC1=O)CCCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298059	0	54	-1.0	-51.22	414.44	7.72	-43.50
CN1CC2(CC1=O)CCCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298059	1	54	-1.0	-51.23	414.49	7.74	-43.49
CN1CC2(CC1=O)CCCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298060	0	51	-1.0	-48.93	401.80	7.61	-41.32
CN1CC2(CC1=O)CCCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298060	1	51	-1.0	-48.97	401.86	7.63	-41.34
C(CC1=NN=C(N2CC3CC4CC3C2C4)N1CC1CC1)C1=N[N-]N=N1	REAL300020298061	0	48	-1.0	-42.25	359.00	8.55	-33.70
C(CC1=NN=C(N2CC3CC4CC3C2C4)N1CC1CC1)C1=NN=N[N-]1	REAL300020298061	1	48	-1.0	-42.20	359.06	8.56	-33.64
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CC4CC3C2C4)N1CC1CC1	REAL300020298062	0	45	-1.0	-44.92	335.45	7.86	-37.06
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CC4CC3C2C4)N1CC1CC1	REAL300020298062	1	45	-1.0	-44.97	335.48	7.89	-37.08
C1=CC(C2=NN=C(N3CC4CC5CC4C3C5)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020298063	0	52	-1.0	-43.40	383.97	10.27	-33.13
C1=CC(C2=NN=C(N3CC4CC5CC4C3C5)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020298063	1	52	-1.0	-43.38	383.98	10.26	-33.12
CC1=CC=C(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020298064	0	53	-1.0	-40.88	434.83	9.74	-31.14
CC1=CC=C(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020298064	1	53	-1.0	-40.90	434.88	9.76	-31.14
CC1=CC=C(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020298065	0	50	-1.0	-43.23	408.76	9.13	-34.10
CC1=CC=C(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020298065	1	50	-1.0	-43.23	408.81	9.15	-34.08
CC1=CC=C(C23CC2CN(C2=NN=C(CCC4=N[N-]N=N4)N2CC2CC2)C3)C=C1	REAL300020298066	0	54	-1.0	-40.63	437.67	11.99	-28.64
CC1=CC=C(C23CC2CN(C2=NN=C(CCC4=NN=N[N-]4)N2CC2CC2)C3)C=C1	REAL300020298066	1	54	-1.0	-40.62	437.73	12.00	-28.62
CC1=CC=C(C23CC2CN(C2=NN=C(CC4=N[N-]N=N4)N2CC2CC2)C3)C=C1	REAL300020298067	0	51	-1.0	-42.88	412.01	11.22	-31.66
CC1=CC=C(C23CC2CN(C2=NN=C(CC4=NN=N[N-]4)N2CC2CC2)C3)C=C1	REAL300020298067	1	51	-1.0	-42.90	412.06	11.25	-31.65
C(CC1=NN=C(N2CCC3(CC(C4CC4)=NO3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020298068	0	55	-1.0	-47.32	433.01	9.59	-37.73
C(CC1=NN=C(N2CCC3(CC(C4CC4)=NO3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020298068	1	55	-1.0	-47.33	433.07	9.61	-37.72
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CC(C4CC4)=NO3)CC2)N1CC1CC1	REAL300020298069	0	52	-1.0	-48.95	411.47	8.82	-40.13
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CC(C4CC4)=NO3)CC2)N1CC1CC1	REAL300020298069	1	52	-1.0	-48.99	411.52	8.83	-40.16
CC1=NN=C([C@H]2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)O1	REAL300020298070	0	48	-1.0	-49.05	392.75	3.43	-45.62
CC1=NN=C([C@H]2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)O1	REAL300020298070	1	48	-1.0	-49.09	392.81	3.45	-45.64
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)O1	REAL300020298071	0	45	-1.0	-47.38	376.14	2.79	-44.59
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)O1	REAL300020298071	1	45	-1.0	-47.38	376.20	2.81	-44.57
COC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298072	0	48	-1.0	-45.68	382.45	10.74	-34.94
COC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298072	1	48	-1.0	-45.71	382.51	10.75	-34.96
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298073	0	45	-1.0	-47.25	364.47	10.03	-37.22
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298073	1	45	-1.0	-47.26	364.41	10.00	-37.26
COC(=O)C[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298074	0	49	-1.0	-43.08	394.58	8.20	-34.88
COC(=O)C[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298074	1	49	-1.0	-43.12	394.63	8.22	-34.90
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298075	0	46	-1.0	-46.61	365.21	7.59	-39.02
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298075	1	46	-1.0	-46.61	365.23	7.62	-38.99
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1(F)F	REAL300020298076	0	43	-1.0	-39.59	356.24	7.67	-31.92
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1(F)F	REAL300020298076	1	43	-1.0	-39.59	356.30	7.68	-31.91
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(F)F	REAL300020298077	0	40	-1.0	-41.27	330.80	7.08	-34.19
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1(F)F	REAL300020298077	1	40	-1.0	-41.29	330.86	7.10	-34.19
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1(F)F	REAL300020298078	0	47	-1.0	-41.44	370.40	8.90	-32.54
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1(F)F	REAL300020298078	1	47	-1.0	-41.40	370.43	8.89	-32.51
C1=CC2(CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)OC1	REAL300020298079	0	52	-1.0	-44.96	388.36	8.09	-36.87
C1=CC2(CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)OC1	REAL300020298079	1	52	-1.0	-44.95	388.41	8.10	-36.85
C1=CC2(CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)OC1	REAL300020298080	0	49	-1.0	-46.90	370.63	7.44	-39.46
C1=CC2(CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)OC1	REAL300020298080	1	49	-1.0	-46.94	370.68	7.46	-39.48
C(CC1=NN=C(N2CCCC3(CCCO3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020298081	0	54	-1.0	-41.05	406.78	8.75	-32.30
C(CC1=NN=C(N2CCCC3(CCCO3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020298081	1	54	-1.0	-41.04	406.81	8.77	-32.27
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCO3)CC2)N1CC1CC1	REAL300020298082	0	51	-1.0	-45.33	378.65	7.87	-37.46
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCO3)CC2)N1CC1CC1	REAL300020298082	1	51	-1.0	-45.30	378.69	7.88	-37.42
COC(=O)C1=COC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298083	0	47	-1.0	-49.68	395.73	7.69	-41.99
COC(=O)C1=COC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298083	1	47	-1.0	-49.66	395.79	7.70	-41.96
COC(=O)C1=COC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298084	0	44	-1.0	-54.82	374.54	7.03	-47.79
COC(=O)C1=COC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298084	1	44	-1.0	-54.83	374.59	7.04	-47.79
CN(CC1CCCCC12CCC2)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298085	0	59	-1.0	-39.73	433.02	13.14	-26.59
CN(CC1CCCCC12CCC2)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298085	1	59	-1.0	-39.70	433.08	13.16	-26.54
CN(CC1CCCCC12CCC2)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298086	0	56	-1.0	-45.63	404.96	12.48	-33.15
CN(CC1CCCCC12CCC2)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298086	1	56	-1.0	-45.63	404.98	12.51	-33.12
OCC1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)=NO1	REAL300020298087	0	53	-1.0	-46.21	429.75	6.17	-40.04
OCC1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)=NO1	REAL300020298087	1	53	-1.0	-46.16	429.81	6.19	-39.97
OCC1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=NO1	REAL300020298088	0	50	-1.0	-49.19	406.78	5.34	-43.85
OCC1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=NO1	REAL300020298088	1	50	-1.0	-49.24	406.81	5.36	-43.88
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2CCCN12	REAL300020298089	0	48	-1.0	-42.67	388.84	7.08	-35.59
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2CCCN12	REAL300020298089	1	48	-1.0	-42.67	388.90	7.10	-35.57
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2CCCN12	REAL300020298090	0	45	-1.0	-49.71	351.42	5.37	-44.34
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2CCCN12	REAL300020298090	1	45	-1.0	-49.74	351.44	5.40	-44.34
C=C1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298091	0	44	-1.0	-40.97	360.74	8.50	-32.47
C=C1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298091	1	44	-1.0	-40.97	360.80	8.52	-32.45
C=C1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298092	0	41	-1.0	-45.88	331.91	7.86	-38.02
C=C1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298092	1	41	-1.0	-45.92	331.87	7.84	-38.08
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020298093	0	48	-1.0	-41.69	388.09	10.11	-31.58
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020298093	1	48	-1.0	-41.76	388.12	10.11	-31.65
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)O1	REAL300020298094	0	48	-1.0	-48.48	392.08	3.40	-45.08
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)O1	REAL300020298094	1	48	-1.0	-48.49	392.13	3.41	-45.08
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)O1	REAL300020298095	0	45	-1.0	-51.64	372.26	2.69	-48.95
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)O1	REAL300020298095	1	45	-1.0	-51.64	372.32	2.71	-48.93
CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298096	0	47	-1.0	-42.87	375.04	6.82	-36.05
CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298096	1	47	-1.0	-42.88	375.10	6.84	-36.04
CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298097	0	44	-1.0	-48.09	353.89	6.23	-41.86
CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298097	1	44	-1.0	-48.10	353.95	6.25	-41.85
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020298098	0	51	-1.0	-44.36	407.53	8.94	-35.42
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020298098	1	51	-1.0	-44.30	407.57	8.92	-35.38
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)[C@H]2COC[C@H]21	REAL300020298099	0	49	-1.0	-41.87	391.20	5.22	-36.65
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)[C@H]2COC[C@H]21	REAL300020298099	1	49	-1.0	-41.78	391.26	5.24	-36.54
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)[C@H]2COC[C@H]21	REAL300020298100	0	46	-1.0	-43.27	373.49	4.56	-38.71
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)[C@H]2COC[C@H]21	REAL300020298100	1	46	-1.0	-43.26	373.54	4.59	-38.67
O=C(NC1CC1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298101	0	54	-1.0	-44.76	434.70	7.74	-37.02
O=C(NC1CC1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298101	1	54	-1.0	-44.75	434.76	7.76	-36.99
O=C(NC1CC1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298102	0	51	-1.0	-44.35	415.11	7.01	-37.34
O=C(NC1CC1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298102	1	51	-1.0	-44.37	415.16	7.03	-37.34
CC1(C)OC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)NC1=O	REAL300020298103	0	52	-1.0	-45.62	403.34	3.61	-42.01
CC1(C)OC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)NC1=O	REAL300020298103	1	52	-1.0	-45.60	403.40	3.63	-41.97
OC1=CC(F)=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020298104	0	51	-1.0	-47.71	402.64	7.79	-39.92
OC1=CC(F)=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020298104	1	51	-1.0	-47.74	402.68	7.82	-39.92
O=S1(=O)CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)CC1	REAL300020298105	0	50	-1.0	-50.97	399.64	4.93	-46.04
O=S1(=O)CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)CC1	REAL300020298105	1	50	-1.0	-51.01	399.70	4.95	-46.06
CC1=CC=C(Cl)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=C1	REAL300020298106	0	50	-1.0	-44.65	419.61	11.49	-33.16
CC1=CC=C(Cl)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=C1	REAL300020298106	1	50	-1.0	-44.67	419.67	11.51	-33.16
OC1=CC2=C(C=C1F)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298107	0	48	-1.0	-41.77	401.11	6.98	-34.79
OC1=CC2=C(C=C1F)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298107	1	48	-1.0	-41.75	401.16	7.00	-34.75
OC1=CC2=C(C=C1F)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298108	0	45	-1.0	-43.72	363.35	6.50	-37.22
OC1=CC2=C(C=C1F)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298108	1	45	-1.0	-43.68	363.41	6.50	-37.18
OC1=CC=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=C1F	REAL300020298109	0	51	-1.0	-50.25	397.29	7.20	-43.05
OC1=CC=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=C1F	REAL300020298109	1	51	-1.0	-50.24	397.33	7.21	-43.03
CC1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298110	0	49	-1.0	-39.37	394.65	8.99	-30.38
CC1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298110	1	49	-1.0	-39.42	394.71	9.01	-30.41
CC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298111	0	46	-1.0	-43.31	373.71	8.24	-35.07
CC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298111	1	46	-1.0	-43.28	373.76	8.25	-35.03
CN1C=C(C23CCC2CCN3C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020298112	0	54	-1.0	-49.61	413.08	8.75	-40.86
CN1C=C(C23CCC2CCN3C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020298112	1	54	-1.0	-49.64	413.03	8.74	-40.90
CN1C=C(C23CCC2CCN3C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=N1	REAL300020298113	0	51	-1.0	-45.32	395.15	7.77	-37.55
CN1C=C(C23CCC2CCN3C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=N1	REAL300020298113	1	51	-1.0	-45.31	395.09	7.75	-37.56
CSCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298114	0	53	-1.0	-40.80	420.14	9.60	-31.20
CSCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298114	1	53	-1.0	-40.77	420.20	9.61	-31.16
CSCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298115	0	50	-1.0	-43.00	400.30	8.87	-34.13
CSCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298115	1	50	-1.0	-43.01	400.36	8.90	-34.11
CC1(CS(C)(=O)=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298116	0	52	-1.0	-54.27	412.12	5.61	-48.66
CC1(CS(C)(=O)=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298116	1	52	-1.0	-54.28	412.18	5.64	-48.64
CC(N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1)C1(S(C)(=O)=O)CC1	REAL300020298117	0	52	-1.0	-55.40	416.36	5.28	-50.12
CC(N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)C1(S(C)(=O)=O)CC1	REAL300020298117	1	52	-1.0	-55.45	416.42	5.29	-50.16
CC(N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)C1(S(C)(=O)=O)CC1	REAL300020298118	0	49	-1.0	-51.87	398.29	5.24	-46.63
CC(N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)C1(S(C)(=O)=O)CC1	REAL300020298118	1	49	-1.0	-51.81	398.35	5.27	-46.54
FC(F)(F)OCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298119	0	47	-1.0	-42.16	380.31	7.46	-34.70
FC(F)(F)OCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298119	1	47	-1.0	-42.15	380.36	7.47	-34.68
FC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)C=C1F	REAL300020298120	0	47	-1.0	-47.02	392.31	9.79	-37.23
FC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)C=C1F	REAL300020298120	1	47	-1.0	-47.01	392.37	9.81	-37.20
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCC(F)(F)C1	REAL300020298121	0	49	-1.0	-41.39	379.29	9.42	-31.97
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCC(F)(F)C1	REAL300020298121	1	49	-1.0	-41.41	379.35	9.43	-31.98
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCC(F)(F)C1	REAL300020298122	0	46	-1.0	-41.57	370.25	8.36	-33.21
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCC(F)(F)C1	REAL300020298122	1	46	-1.0	-41.56	370.31	8.39	-33.17
COC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298123	0	52	-1.0	-42.03	411.91	9.04	-32.99
COC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298123	1	52	-1.0	-41.95	411.96	9.06	-32.89
COC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298124	0	49	-1.0	-42.96	393.70	8.37	-34.59
COC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298124	1	49	-1.0	-42.97	393.75	8.39	-34.58
COC(=O)C[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298125	0	52	-1.0	-42.00	411.92	9.04	-32.96
COC(=O)C[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298125	1	52	-1.0	-41.95	411.98	9.06	-32.89
COC(=O)C[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298126	0	49	-1.0	-45.42	388.03	8.50	-36.92
COC(=O)C[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298126	1	49	-1.0	-45.40	388.07	8.51	-36.89
COC(=O)C[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298127	0	52	-1.0	-41.47	419.44	9.18	-32.29
COC(=O)C[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298127	1	52	-1.0	-41.44	419.50	9.19	-32.25
COC(=O)C[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298128	0	49	-1.0	-43.21	397.95	8.39	-34.82
COC(=O)C[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298128	1	49	-1.0	-43.20	398.01	8.42	-34.78
CC1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020298129	0	49	-1.0	-43.07	399.25	8.87	-34.20
CC1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020298129	1	49	-1.0	-43.01	399.31	8.88	-34.13
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)=C1	REAL300020298130	0	46	-1.0	-42.67	379.88	8.06	-34.61
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)=C1	REAL300020298130	1	46	-1.0	-42.69	379.94	8.08	-34.61
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020298131	0	53	-1.0	-46.53	428.89	8.31	-38.22
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020298131	1	53	-1.0	-46.51	428.95	8.32	-38.19
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C=C1	REAL300020298132	0	50	-1.0	-47.79	413.19	7.62	-40.17
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C=C1	REAL300020298132	1	50	-1.0	-47.75	413.25	7.64	-40.11
CC(C1CCCO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298133	0	50	-1.0	-38.53	368.50	6.81	-31.72
CC(C1CCCO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298133	1	50	-1.0	-38.55	368.56	6.82	-31.73
CC(C1CCCO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298134	0	47	-1.0	-43.26	352.27	7.13	-36.13
CC(C1CCCO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298134	1	47	-1.0	-43.26	352.30	7.15	-36.11
CC(C1CCCO1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020298135	0	54	-1.0	-44.49	404.03	9.42	-35.07
CC(C1CCCO1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020298135	1	54	-1.0	-44.41	403.98	9.40	-35.01
COC(=O)C(C#N)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298136	0	53	-1.0	-46.62	427.47	9.15	-37.47
COC(=O)C(C#N)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298136	1	53	-1.0	-46.62	427.53	9.17	-37.45
COC(=O)C(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298137	0	50	-1.0	-48.27	405.92	8.37	-39.90
COC(=O)C(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298137	1	50	-1.0	-48.29	405.97	8.39	-39.90
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC[C@H](N3CCOCC3)C2)N1CC1CC1	REAL300020298138	0	56	-1.0	-44.07	421.25	5.70	-38.37
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC[C@H](N3CCOCC3)C2)N1CC1CC1	REAL300020298138	1	56	-1.0	-44.06	421.31	5.72	-38.34
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC[C@H]([NH+]3CCOCC3)C2)N1CC1CC1	REAL300020298138	1	57	0.0	-69.51	420.34	8.07	-61.44
CC1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C=C1	REAL300020298139	0	55	-1.0	-43.13	440.75	8.78	-34.35
CC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020298139	1	56	0.0	-71.65	432.25	11.36	-60.29
CC1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C=C1	REAL300020298139	1	55	-1.0	-43.16	440.81	8.79	-34.37
C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CCCCCC2=C1	REAL300020298140	0	56	-1.0	-43.59	409.65	10.61	-32.98
C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CCCCCC2=C1	REAL300020298140	1	56	-1.0	-43.60	409.71	10.62	-32.98
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCCCCC2=C1	REAL300020298141	0	53	-1.0	-42.16	396.48	9.59	-32.57
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CCCCCC2=C1	REAL300020298141	1	53	-1.0	-42.21	396.42	9.56	-32.65
C[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298142	0	43	-1.0	-40.97	343.84	7.58	-33.39
C[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298142	1	43	-1.0	-40.97	343.90	7.60	-33.37
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020298143	0	47	-1.0	-44.48	361.84	8.80	-35.68
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020298143	1	47	-1.0	-44.51	361.87	8.79	-35.72
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC[C@H]1F	REAL300020298144	0	47	-1.0	-41.02	375.61	6.79	-34.23
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC[C@H]1F	REAL300020298144	1	47	-1.0	-41.03	375.67	6.81	-34.22
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC[C@H]1F	REAL300020298145	0	44	-1.0	-43.13	348.41	5.42	-37.71
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC[C@H]1F	REAL300020298145	1	44	-1.0	-43.15	348.47	5.44	-37.71
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC[C@H]1F	REAL300020298146	0	51	-1.0	-42.78	402.50	8.77	-34.01
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC[C@H]1F	REAL300020298146	1	51	-1.0	-42.77	402.54	8.77	-34.00
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298147	0	51	-1.0	-40.82	398.08	9.09	-31.73
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298147	1	51	-1.0	-40.84	398.14	9.11	-31.73
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298148	0	48	-1.0	-42.32	376.58	8.31	-34.01
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298148	1	48	-1.0	-42.29	376.64	8.33	-33.96
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298149	0	47	-1.0	-52.20	378.86	5.01	-47.19
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298149	1	47	-1.0	-52.18	378.92	5.03	-47.15
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298150	0	44	-1.0	-60.20	357.72	4.37	-55.83
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298150	1	44	-1.0	-60.15	357.66	4.36	-55.79
CNC(=O)[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020298151	0	51	-1.0	-50.78	412.14	7.52	-43.26
CNC(=O)[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020298151	1	51	-1.0	-50.70	412.16	7.50	-43.20
N#CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020298152	0	49	-1.0	-45.81	413.28	7.56	-38.25
N#CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020298152	1	49	-1.0	-45.78	413.22	7.55	-38.23
O=S1(=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCN1	REAL300020298153	0	45	-1.0	-46.60	370.06	2.31	-44.29
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FC1(F)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CCC21	REAL300020298156	1	44	-1.0	-40.98	361.19	8.57	-32.41
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298157	0	58	0.0	-66.40	427.26	9.85	-56.55
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298157	1	58	0.0	-66.32	427.26	9.82	-56.50
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298157	1	58	0.0	-66.38	427.31	9.86	-56.52
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298157	1	58	0.0	-66.29	427.32	9.83	-56.46
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298158	0	55	0.0	-65.61	403.63	9.01	-56.60
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298158	1	55	0.0	-66.48	392.31	9.11	-57.37
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CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298158	1	55	0.0	-66.51	392.34	9.13	-57.38
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COC1=CC=CC(F)=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298161	1	51	-1.0	-49.49	409.91	10.10	-39.39
CC1C2=CC=CN=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298162	0	49	-1.0	-44.99	387.58	7.38	-37.61
CC1C2=CC=CN=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298162	1	49	-1.0	-44.98	387.63	7.39	-37.59
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298163	0	46	-1.0	-46.46	366.48	6.69	-39.77
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298163	1	46	-1.0	-46.42	366.42	6.66	-39.76
C(CC1=NN=C(N2CCCCCCCCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020298164	0	55	-1.0	-40.17	400.35	10.71	-29.46
C(CC1=NN=C(N2CCCCCCCCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020298164	1	55	-1.0	-40.16	400.41	10.72	-29.44
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCCCC2)N1CC1CC1	REAL300020298165	0	52	-1.0	-43.39	380.51	10.11	-33.28
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCCCC2)N1CC1CC1	REAL300020298165	1	52	-1.0	-43.38	380.56	10.13	-33.25
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298166	0	47	-1.0	-41.19	366.01	8.42	-32.77
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298166	1	47	-1.0	-41.19	366.07	8.43	-32.76
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298167	0	44	-1.0	-44.83	342.31	7.61	-37.22
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298167	1	44	-1.0	-44.80	342.25	7.60	-37.20
C[C@]12CC[C@H]1CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020298168	0	51	-1.0	-42.11	393.32	9.92	-32.19
C[C@]12CC[C@H]1CCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020298168	1	51	-1.0	-42.14	393.35	9.91	-32.23
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O=C1NCCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1(F)F	REAL300020298170	0	47	-1.0	-44.83	374.99	5.70	-39.13
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C[C@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298171	0	44	-1.0	-39.76	348.81	6.61	-33.15
C[C@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298171	1	44	-1.0	-39.72	348.87	6.62	-33.10
C[C@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298172	0	41	-1.0	-41.50	327.32	5.82	-35.68
C[C@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298172	1	41	-1.0	-41.52	327.38	5.85	-35.67
C[C@H]1CSCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020298173	0	48	-1.0	-41.08	390.43	8.76	-32.32
C[C@H]1CSCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020298173	1	48	-1.0	-41.06	390.47	8.75	-32.31
C#CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298174	0	41	-1.0	-41.92	346.52	7.87	-34.05
C#CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298174	1	41	-1.0	-41.84	346.57	7.88	-33.96
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020298175	0	45	-1.0	-44.14	364.90	9.56	-34.58
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020298175	1	45	-1.0	-44.12	364.94	9.55	-34.57
FC1(F)CC2CC1N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298176	0	44	-1.0	-45.91	350.47	7.03	-38.88
FC1(F)CC2CC1N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298176	1	44	-1.0	-45.91	350.53	7.05	-38.86
FC1(F)CC2CC1N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298177	0	41	-1.0	-48.64	320.96	6.46	-42.18
FC1(F)CC2CC1N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298177	1	41	-1.0	-48.68	321.00	6.47	-42.21
FC1(F)CC2CC1N(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CC1CC1)C2	REAL300020298178	0	48	-1.0	-47.13	375.38	8.89	-38.24
FC1(F)CC2CC1N(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CC1CC1)C2	REAL300020298178	1	48	-1.0	-47.14	375.42	8.88	-38.26
CN(CC12CCC(CC1)C2)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298179	0	53	-1.0	-39.62	404.97	10.18	-29.44
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CCC1=CSC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)=N1	REAL300020298181	0	52	-1.0	-44.29	427.17	9.05	-35.24
CCC1=CSC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)=N1	REAL300020298181	1	52	-1.0	-44.30	427.21	9.07	-35.23
CC(F)(F)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298182	0	49	-1.0	-45.16	388.85	9.12	-36.04
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CC(F)(F)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298183	1	46	-1.0	-46.51	370.70	8.47	-38.04
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FCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298184	1	52	-1.0	-41.98	404.92	9.97	-32.01
FCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298185	0	49	-1.0	-45.24	375.37	9.36	-35.88
FCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298185	1	49	-1.0	-45.28	375.41	9.37	-35.91
FC(F)(F)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298186	0	52	-1.0	-41.05	426.41	10.15	-30.90
FC(F)(F)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298186	1	52	-1.0	-41.09	426.47	10.16	-30.93
FC(F)(F)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298187	0	49	-1.0	-44.47	398.51	9.49	-34.98
FC(F)(F)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298187	1	49	-1.0	-44.47	398.55	9.51	-34.96
CC1(C(F)(F)F)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298188	0	49	-1.0	-40.86	381.54	8.69	-32.17
CC1(C(F)(F)F)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298188	1	49	-1.0	-40.87	381.60	8.72	-32.15
CC1(C(F)(F)F)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298189	0	46	-1.0	-44.42	359.63	8.78	-35.64
CC1(C(F)(F)F)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298189	1	46	-1.0	-44.44	359.69	8.80	-35.64
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NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298193	0	44	-1.0	-47.14	343.94	3.84	-43.30
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298193	1	44	-1.0	-47.12	343.99	3.86	-43.26
NC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020298194	0	51	-1.0	-48.57	397.62	6.25	-42.32
NC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020298194	1	51	-1.0	-48.54	397.65	6.24	-42.30
O=C1CN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)C(=O)N1	REAL300020298195	0	49	-1.0	-52.19	391.86	4.96	-47.23
O=C1CN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)C(=O)N1	REAL300020298195	1	49	-1.0	-52.22	391.90	4.97	-47.25
FC(F)(F)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298196	0	49	-1.0	-39.55	394.28	8.96	-30.59
FC(F)(F)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298196	1	49	-1.0	-39.53	394.34	8.97	-30.56
FC(F)(F)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298197	0	46	-1.0	-41.22	376.72	8.55	-32.67
FC(F)(F)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298197	1	46	-1.0	-41.22	376.78	8.58	-32.64
OCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298198	0	47	-1.0	-45.19	381.42	5.21	-39.98
OCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298198	1	47	-1.0	-45.21	381.48	5.23	-39.98
OCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298199	0	44	-1.0	-46.37	352.11	4.34	-42.03
OCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298199	1	44	-1.0	-46.38	352.16	4.36	-42.02
OCC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CC1	REAL300020298200	0	51	-1.0	-46.17	405.22	7.11	-39.06
OCC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CC1	REAL300020298200	1	51	-1.0	-46.14	405.26	7.09	-39.05
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298201	0	50	-1.0	-45.25	405.60	8.12	-37.13
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298201	1	50	-1.0	-45.25	405.65	8.13	-37.12
CCOC(=O)C1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298202	0	47	-1.0	-46.79	376.82	7.64	-39.15
CCOC(=O)C1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298202	1	47	-1.0	-46.81	376.86	7.66	-39.15
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298203	0	50	-1.0	-43.17	398.07	9.30	-33.87
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298203	1	50	-1.0	-43.19	398.13	9.32	-33.87
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298204	0	47	-1.0	-43.96	369.40	8.87	-35.09
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298204	1	47	-1.0	-43.89	369.34	8.85	-35.04
CO[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298205	0	47	-1.0	-41.54	378.51	6.66	-34.88
CO[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298205	1	47	-1.0	-41.57	378.56	6.68	-34.89
CO[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298206	0	44	-1.0	-46.31	357.64	5.93	-40.38
CO[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298206	1	44	-1.0	-46.32	357.69	5.96	-40.36
CO[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020298207	0	51	-1.0	-43.62	405.68	8.85	-34.77
CO[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020298207	1	51	-1.0	-43.63	405.73	8.83	-34.80
COC(=O)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298208	0	47	-1.0	-41.83	383.70	8.23	-33.60
COC(=O)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298208	1	47	-1.0	-41.86	383.76	8.25	-33.61
COC(=O)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298209	0	44	-1.0	-42.39	372.02	7.58	-34.81
COC(=O)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298209	1	44	-1.0	-42.36	372.08	7.60	-34.76
CC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020298210	0	47	-1.0	-39.85	380.45	6.88	-32.97
CC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020298210	1	47	-1.0	-39.84	380.50	6.90	-32.94
CC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020298211	0	44	-1.0	-44.26	347.96	6.42	-37.84
CC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020298211	1	44	-1.0	-44.24	348.03	6.43	-37.81
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020298212	0	51	-1.0	-41.92	399.40	8.79	-33.13
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020298212	1	51	-1.0	-41.91	399.44	8.78	-33.13
CO[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298213	0	47	-1.0	-41.14	362.52	6.06	-35.08
CO[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298213	1	47	-1.0	-41.15	362.58	6.07	-35.08
CO[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298214	0	44	-1.0	-43.46	336.86	5.59	-37.87
CO[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298214	1	44	-1.0	-43.50	336.89	5.60	-37.90
CO[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)C1	REAL300020298215	0	51	-1.0	-42.92	390.09	7.98	-34.94
CO[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)C1	REAL300020298215	1	51	-1.0	-42.87	390.11	7.96	-34.91
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020298216	0	48	-1.0	-41.71	383.48	5.33	-36.38
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020298216	1	48	-1.0	-41.74	383.53	5.34	-36.40
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020298217	0	45	-1.0	-42.59	371.99	4.52	-38.07
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020298217	1	45	-1.0	-42.64	372.06	4.54	-38.10
COC[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020298218	0	52	-1.0	-42.53	422.24	7.28	-35.25
COC[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020298218	1	52	-1.0	-42.46	422.31	7.26	-35.20
FC(F)(F)CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298219	0	52	-1.0	-41.86	426.39	10.12	-31.74
FC(F)(F)CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298219	1	52	-1.0	-41.85	426.45	10.13	-31.72
FC(F)(F)CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298220	0	49	-1.0	-46.11	383.11	9.00	-37.11
FC(F)(F)CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298220	1	49	-1.0	-46.10	383.16	9.01	-37.09
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020298221	0	48	-1.0	-41.19	388.27	5.49	-35.70
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020298221	1	48	-1.0	-41.20	388.33	5.50	-35.70
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCO1	REAL300020298222	0	45	-1.0	-42.69	357.78	3.99	-38.70
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCO1	REAL300020298222	1	45	-1.0	-42.71	357.84	4.02	-38.69
COC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)CCO1	REAL300020298223	0	52	-1.0	-43.39	404.96	6.67	-36.72
COC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)CCO1	REAL300020298223	1	52	-1.0	-43.33	405.00	6.66	-36.67
C1=CC2(CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)OC1	REAL300020298224	0	49	-1.0	-40.41	394.97	7.71	-32.70
C1=CC2(CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)OC1	REAL300020298224	1	49	-1.0	-40.43	395.03	7.73	-32.70
C1=CC2(CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)OC1	REAL300020298225	0	46	-1.0	-44.63	355.08	7.16	-37.47
C1=CC2(CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)OC1	REAL300020298225	1	46	-1.0	-44.66	355.14	7.17	-37.49
CC1(C)C=CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298226	0	44	-1.0	-40.01	346.39	7.32	-32.69
CC1(C)C=CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298226	1	44	-1.0	-40.00	346.44	7.33	-32.67
CC1(C)C=CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298227	0	41	-1.0	-43.00	331.27	6.45	-36.55
CC1(C)C=CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298227	1	41	-1.0	-43.02	331.23	6.42	-36.60
CC1(C)C=CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020298228	0	48	-1.0	-41.55	377.64	9.08	-32.47
CC1(C)C=CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020298228	1	48	-1.0	-41.51	377.68	9.07	-32.44
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298229	0	49	-1.0	-54.54	385.97	4.44	-50.10
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298229	1	49	-1.0	-54.54	386.03	4.45	-50.09
CC1NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298230	0	46	-1.0	-57.86	364.77	3.78	-54.08
CC1NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298230	1	46	-1.0	-57.87	364.83	3.79	-54.08
NC(=O)C1COC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020298231	0	52	-1.0	-48.02	413.88	3.64	-44.38
NC(=O)C1COC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020298231	1	52	-1.0	-48.01	413.94	3.67	-44.34
C(CC1=NN=C(N(CC2CCOCC2)C2CCC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020298232	0	57	-1.0	-42.67	429.44	8.08	-34.59
C(CC1=NN=C(N(CC2CCOCC2)C2CCC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020298232	1	57	-1.0	-42.68	429.49	8.09	-34.59
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CCOCC2)C2CCC2)N1CC1CC1	REAL300020298233	0	54	-1.0	-46.57	403.53	7.34	-39.23
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CCOCC2)C2CCC2)N1CC1CC1	REAL300020298233	1	54	-1.0	-46.56	403.59	7.36	-39.20
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298234	0	53	-1.0	-49.53	416.13	7.70	-41.83
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298234	1	53	-1.0	-49.54	416.16	7.71	-41.83
O=C1N[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@@H]2O1	REAL300020298235	0	46	-1.0	-49.63	378.52	3.88	-45.75
O=C1N[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@@H]2O1	REAL300020298235	1	46	-1.0	-49.66	378.57	3.90	-45.76
O=C1N[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@@H]2O1	REAL300020298236	0	43	-1.0	-53.52	338.93	3.35	-50.17
O=C1N[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@@H]2O1	REAL300020298236	1	43	-1.0	-53.55	338.96	3.36	-50.19
CCOC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298237	0	55	-1.0	-42.15	431.62	9.96	-32.19
CCOC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298237	1	55	-1.0	-42.17	431.68	9.97	-32.20
CCOC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298238	0	52	-1.0	-43.94	402.21	9.37	-34.57
CCOC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298238	1	52	-1.0	-43.98	402.27	9.37	-34.61
CCOC(=O)C1CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020298239	0	53	-1.0	-47.70	422.24	9.93	-37.77
CCOC(=O)C1CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020298239	1	53	-1.0	-47.68	422.28	9.96	-37.72
C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298240	0	43	-1.0	-42.14	340.14	7.76	-34.38
C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298240	1	43	-1.0	-42.13	340.20	7.77	-34.36
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020298241	0	47	-1.0	-41.44	367.25	8.50	-32.94
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020298241	1	47	-1.0	-41.40	367.28	8.50	-32.90
CC(C)(C)OC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298242	0	55	-1.0	-43.20	430.63	9.73	-33.47
CC(C)(C)OC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298242	1	55	-1.0	-43.20	430.69	9.74	-33.46
CC(C)(C)OC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298243	0	52	-1.0	-43.54	409.12	8.94	-34.60
CC(C)(C)OC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298243	1	52	-1.0	-43.57	409.18	8.97	-34.60
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC(C)(C)O1	REAL300020298244	0	53	-1.0	-43.50	428.43	8.55	-34.95
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC(C)(C)O1	REAL300020298244	1	53	-1.0	-43.54	428.49	8.56	-34.98
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC(C)(C)O1	REAL300020298245	0	50	-1.0	-45.96	402.95	7.87	-38.09
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC(C)(C)O1	REAL300020298245	1	50	-1.0	-45.98	402.98	7.89	-38.09
COC(=O)C1(C(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298246	0	49	-1.0	-45.84	403.60	8.13	-37.71
COC(=O)C1(C(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298246	1	49	-1.0	-45.85	403.66	8.15	-37.70
C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298247	0	43	-1.0	-42.14	340.14	7.76	-34.38
C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298247	1	43	-1.0	-42.13	340.20	7.77	-34.36
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1CC1	REAL300020298248	0	47	-1.0	-41.44	367.25	8.50	-32.94
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1CC1	REAL300020298248	1	47	-1.0	-41.40	367.28	8.50	-32.90
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298249	0	49	-1.0	-44.94	395.81	8.58	-36.36
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298249	1	49	-1.0	-44.95	395.86	8.61	-36.34
FC1(F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2(CCC2)C1	REAL300020298250	0	50	-1.0	-42.34	388.94	9.04	-33.30
FC1(F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2(CCC2)C1	REAL300020298250	1	50	-1.0	-42.35	389.00	9.05	-33.30
FC1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2(CCC2)C1	REAL300020298251	0	47	-1.0	-44.90	358.94	8.37	-36.53
FC1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2(CCC2)C1	REAL300020298251	1	47	-1.0	-44.95	359.00	8.38	-36.57
CP(C)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298252	0	52	-1.0	-46.60	425.54	7.28	-39.32
CP(C)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298252	1	52	-1.0	-46.59	425.60	7.29	-39.30
CP(C)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298253	0	49	-1.0	-48.19	404.03	6.49	-41.70
CP(C)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298253	1	49	-1.0	-48.21	404.09	6.52	-41.69
COC(=O)C1CC2CC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298254	0	53	-1.0	-46.19	402.40	10.78	-35.41
COC(=O)C1CC2CC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298254	1	53	-1.0	-46.17	402.46	10.80	-35.37
COC(=O)C1CC2CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298255	0	50	-1.0	-52.57	384.82	10.14	-42.43
COC(=O)C1CC2CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298255	1	50	-1.0	-52.58	384.88	10.16	-42.42
CC(C)(C)OCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298256	0	59	-1.0	-40.90	447.60	9.60	-31.30
CC(C)(C)OCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298256	1	59	-1.0	-40.88	447.65	9.61	-31.27
CC(C)(C)OCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298257	0	56	-1.0	-44.32	418.12	9.00	-35.32
CC(C)(C)OCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298257	1	56	-1.0	-44.32	418.16	9.01	-35.31
CC(C)(C)OCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298258	0	59	-1.0	-39.19	454.72	9.42	-29.77
CC(C)(C)OCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298258	1	59	-1.0	-39.19	454.78	9.44	-29.75
CC(C)(C)OCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298259	0	56	-1.0	-42.64	429.72	8.87	-33.77
CC(C)(C)OCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298259	1	56	-1.0	-42.63	429.77	8.90	-33.73
CP(C)(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298260	0	52	-1.0	-46.92	427.21	7.31	-39.61
CP(C)(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298260	1	52	-1.0	-46.88	427.26	7.33	-39.55
CP(C)(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298261	0	49	-1.0	-50.37	399.34	6.65	-43.72
CP(C)(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298261	1	49	-1.0	-50.37	399.37	6.67	-43.70
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CC2CCCCN12	REAL300020298262	0	51	-1.0	-42.95	391.03	6.97	-35.98
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CC2CCCCN12	REAL300020298262	1	51	-1.0	-42.94	391.09	6.98	-35.96
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2CCCCN12	REAL300020298263	0	48	-1.0	-44.92	383.68	6.70	-38.22
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC2CCCCN12	REAL300020298263	1	48	-1.0	-44.93	383.74	6.73	-38.20
C1=CC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)OC1	REAL300020298264	0	49	-1.0	-42.79	391.35	7.94	-34.85
C1=CC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)CC2)OC1	REAL300020298264	1	49	-1.0	-42.77	391.40	7.95	-34.82
C1=CC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)OC1	REAL300020298265	0	46	-1.0	-45.43	362.27	7.02	-38.41
C1=CC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)OC1	REAL300020298265	1	46	-1.0	-45.41	362.31	7.05	-38.36
CCN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298266	0	53	-1.0	-41.61	411.29	8.23	-33.38
CCN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298266	1	53	-1.0	-41.66	411.35	8.25	-33.41
CCN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1	REAL300020298267	0	50	-1.0	-47.02	391.64	7.42	-39.60
CCN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298267	1	50	-1.0	-46.98	391.70	7.45	-39.53
CC1(C)NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020298268	0	52	-1.0	-52.44	396.61	5.01	-47.43
CC1(C)NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020298268	1	52	-1.0	-52.43	396.66	5.04	-47.39
CC1=CSC(CCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020298269	0	48	-1.0	-43.25	410.19	7.84	-35.41
CC1=CSC(CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020298269	1	48	-1.0	-43.24	410.24	7.86	-35.38
CC1=CSC(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020298270	0	45	-1.0	-44.72	385.73	7.30	-37.42
CC1=CSC(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020298270	1	45	-1.0	-44.72	385.79	7.33	-37.39
O=S1(=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)CCCCN1	REAL300020298271	0	51	-1.0	-47.46	406.36	4.00	-43.46
O=S1(=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)CCCCN1	REAL300020298271	1	51	-1.0	-47.44	406.42	4.01	-43.43
O=S1(=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CCCCN1	REAL300020298272	0	48	-1.0	-50.23	384.74	3.13	-47.10
O=S1(=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CCCCN1	REAL300020298272	1	48	-1.0	-50.29	384.80	3.16	-47.13
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@H]2C1	REAL300020298273	0	53	-1.0	-47.27	415.83	9.15	-38.12
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@H]2C1	REAL300020298273	1	53	-1.0	-47.29	415.89	9.17	-38.12
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@H]2C1	REAL300020298274	0	50	-1.0	-50.96	397.37	8.47	-42.49
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@H]2C1	REAL300020298274	1	50	-1.0	-50.94	397.42	8.50	-42.44
COC(=O)C1(C2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298275	0	53	-1.0	-45.13	410.35	9.38	-35.75
COC(=O)C1(C2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298275	1	53	-1.0	-45.11	410.41	9.40	-35.71
C(CC1=NN=C(N2CCC3(C2)CCCCO3)N1CC1CC1)C1=N[N-]N=N1	REAL300020298276	0	51	-1.0	-41.78	391.76	7.68	-34.10
C(CC1=NN=C(N2CCC3(C2)CCCCO3)N1CC1CC1)C1=NN=N[N-]1	REAL300020298276	1	51	-1.0	-41.74	391.82	7.69	-34.05
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)CCCCO3)N1CC1CC1	REAL300020298277	0	48	-1.0	-44.79	370.86	6.97	-37.82
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)CCCCO3)N1CC1CC1	REAL300020298277	1	48	-1.0	-44.79	370.92	6.99	-37.80
FC(F)(F)C1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298278	0	43	-1.0	-38.99	371.83	7.95	-31.04
FC(F)(F)C1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298278	1	43	-1.0	-39.00	371.89	7.97	-31.03
FC(F)(F)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298279	0	40	-1.0	-44.25	348.91	7.22	-37.03
FC(F)(F)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298279	1	40	-1.0	-44.25	348.97	7.25	-37.00
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C[C@@H]21	REAL300020298280	0	51	-1.0	-50.03	397.49	6.42	-43.61
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C[C@@H]21	REAL300020298280	1	51	-1.0	-50.12	397.55	6.43	-43.69
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C[C@@H]21	REAL300020298281	0	48	-1.0	-53.72	375.98	5.63	-48.09
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C[C@@H]21	REAL300020298281	1	48	-1.0	-53.66	376.04	5.66	-48.00
CC1(C)NC(=O)OC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298282	0	52	-1.0	-43.51	407.65	4.59	-38.92
CC1(C)NC(=O)OC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298282	1	52	-1.0	-43.47	407.69	4.60	-38.87
CC1(C)NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298283	0	49	-1.0	-44.58	389.79	3.94	-40.64
CC1(C)NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298283	1	49	-1.0	-44.57	389.85	3.97	-40.60
C1=CCC2(CCOCC2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298284	0	55	-1.0	-42.27	408.69	8.72	-33.55
C1=CCC2(CCOCC2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298284	1	55	-1.0	-42.28	408.74	8.73	-33.55
C1=CCC2(CCOCC2)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298285	0	52	-1.0	-43.18	387.10	7.90	-35.28
C1=CCC2(CCOCC2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298285	1	52	-1.0	-43.18	387.15	7.92	-35.26
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020298286	0	56	-1.0	-42.73	433.53	11.52	-31.21
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020298286	1	56	-1.0	-42.71	433.59	11.54	-31.17
CCOC(=O)C1=NOC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020298287	0	49	-1.0	-46.33	398.73	8.42	-37.91
CCOC(=O)C1=NOC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020298287	1	49	-1.0	-46.28	398.79	8.43	-37.85
OC[C@]12CCCC[C@@H]1N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CCC2	REAL300020298288	0	57	-1.0	-40.60	421.61	6.31	-34.29
OC[C@]12CCCC[C@@H]1N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CCC2	REAL300020298288	1	57	-1.0	-40.59	421.67	6.32	-34.27
OC[C@]12CCCC[C@@H]1N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CCC2	REAL300020298289	0	54	-1.0	-44.89	377.32	5.18	-39.71
OC[C@]12CCCC[C@@H]1N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CCC2	REAL300020298289	1	54	-1.0	-44.88	377.34	5.20	-39.68
OC[C@]12CCC[C@H]1N(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)CCC2	REAL300020298290	0	54	-1.0	-40.45	411.21	6.07	-34.38
OC[C@]12CCC[C@H]1N(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)CCC2	REAL300020298290	1	54	-1.0	-40.41	411.27	6.08	-34.33
OC[C@]12CCC[C@H]1N(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CCC2	REAL300020298291	0	51	-1.0	-43.33	392.37	5.25	-38.08
OC[C@]12CCC[C@H]1N(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CCC2	REAL300020298291	1	51	-1.0	-43.34	392.42	5.27	-38.07
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020298292	0	46	-1.0	-43.50	384.22	10.45	-33.05
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020298292	1	46	-1.0	-43.49	384.17	10.44	-33.05
CCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020298293	0	43	-1.0	-47.05	354.78	9.84	-37.21
CCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020298293	1	43	-1.0	-47.04	354.74	9.83	-37.21
CCCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2CC2)=N1	REAL300020298294	0	50	-1.0	-45.28	409.43	12.25	-33.03
CCCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2CC2)=N1	REAL300020298294	1	50	-1.0	-45.30	409.38	12.27	-33.03
C(CC1=NN=C(N2CCC(C3=NOCC3)CC2)N1CC1CC1)C1=N[N-]N=N1	REAL300020298295	0	51	-1.0	-46.06	402.62	8.05	-38.01
C(CC1=NN=C(N2CCC(C3=NOCC3)CC2)N1CC1CC1)C1=NN=N[N-]1	REAL300020298295	1	51	-1.0	-46.07	402.68	8.06	-38.01
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3=NOCC3)CC2)N1CC1CC1	REAL300020298296	0	48	-1.0	-49.70	381.07	7.26	-42.44
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3=NOCC3)CC2)N1CC1CC1	REAL300020298296	1	48	-1.0	-49.69	381.12	7.28	-42.41
C(CC1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1CC1CC1)C1=N[N-]N=N1	REAL300020298297	0	45	-1.0	-42.80	346.64	7.89	-34.91
C(CC1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1CC1CC1)C1=NN=N[N-]1	REAL300020298297	1	45	-1.0	-42.77	346.70	7.90	-34.87
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1CC1CC1	REAL300020298298	0	42	-1.0	-45.43	328.40	7.23	-38.20
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1CC1CC1	REAL300020298298	1	42	-1.0	-45.42	328.34	7.20	-38.22
C1=CC(C2=NN=C(N3C[C@@H]4C[C@H]3[C@H]3C[C@H]34)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020298299	0	49	-1.0	-43.33	381.53	10.28	-33.05
C1=CC(C2=NN=C(N3C[C@@H]4C[C@H]3[C@H]3C[C@H]34)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020298299	1	49	-1.0	-43.37	381.56	10.27	-33.10
C1=CC=C2C(=C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C1CC2C1	REAL300020298300	0	51	-1.0	-39.94	397.51	11.45	-28.49
C1=CC=C2C(=C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C1CC2C1	REAL300020298300	1	51	-1.0	-39.93	397.56	11.47	-28.46
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C1CC2C1	REAL300020298301	0	48	-1.0	-43.78	380.51	10.86	-32.92
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C1CC2C1	REAL300020298301	1	48	-1.0	-43.78	380.46	10.84	-32.94
C1=CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)OC1	REAL300020298302	0	49	-1.0	-41.52	381.12	7.48	-34.04
C1=CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)OC1	REAL300020298302	1	49	-1.0	-41.51	381.18	7.50	-34.01
C1=CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)OC1	REAL300020298303	0	46	-1.0	-41.97	368.11	6.55	-35.42
C1=CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)OC1	REAL300020298303	1	46	-1.0	-41.96	368.17	6.57	-35.39
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CN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020298314	1	50	-1.0	-41.24	406.65	10.57	-30.67
CN(C1=NN=C(CC2=N[N-]N=N2)N1CC1CC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020298315	0	47	-1.0	-42.16	386.99	9.83	-32.33
CN(C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020298315	1	47	-1.0	-42.17	387.05	9.86	-32.31
CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1CC1	REAL300020298316	0	55	-1.0	-41.07	435.03	10.32	-30.75
CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1CC1	REAL300020298316	1	55	-1.0	-41.04	435.08	10.34	-30.70
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CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1CC1	REAL300020298317	1	52	-1.0	-43.57	423.29	8.92	-34.65
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CN1C(=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)[C@H]2C[C@H]21	REAL300020298330	0	42	-1.0	-44.62	343.13	5.88	-38.74
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CC1=NOC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)CC2	REAL300020298333	0	48	-1.0	-49.74	380.17	7.22	-42.52
CC1=NOC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)CC2	REAL300020298333	1	48	-1.0	-49.71	380.22	7.24	-42.47
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COC(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298337	1	52	-1.0	-46.22	416.90	9.03	-37.19
COC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298338	0	49	-1.0	-46.43	396.82	8.44	-37.99
COC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298338	1	49	-1.0	-46.45	396.88	8.47	-37.98
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O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC2COCCN12	REAL300020298345	0	46	-1.0	-42.72	369.78	4.48	-38.24
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FC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298346	0	44	-1.0	-39.63	359.31	8.72	-30.91
FC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298346	1	44	-1.0	-39.61	359.37	8.73	-30.88
FC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1CC1)C2	REAL300020298347	0	41	-1.0	-44.20	331.44	8.06	-36.14
FC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1CC1)C2	REAL300020298347	1	41	-1.0	-44.17	331.47	8.08	-36.09
FC12CC(C1)CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CC1CC1)C2	REAL300020298348	0	48	-1.0	-43.14	378.67	10.73	-32.41
FC12CC(C1)CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CC1CC1)C2	REAL300020298348	1	48	-1.0	-43.09	378.71	10.71	-32.38
C(CC1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1CC1CC1)C1=N[N-]N=N1	REAL300020298349	0	42	-1.0	-44.79	334.87	4.86	-39.93
C(CC1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1CC1CC1)C1=NN=N[N-]1	REAL300020298349	1	42	-1.0	-44.83	334.93	4.88	-39.95
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1CC1CC1	REAL300020298350	0	39	-1.0	-49.23	314.88	4.51	-44.72
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1CC1CC1	REAL300020298350	1	39	-1.0	-49.24	314.82	4.49	-44.75
C1=CC(C2=NN=C(N3C[C@H]4C[C@@H]3CO4)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020298351	0	46	-1.0	-45.00	360.23	7.16	-37.84
C1=CC(C2=NN=C(N3C[C@H]4C[C@@H]3CO4)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020298351	1	46	-1.0	-45.03	360.27	7.15	-37.88
O=C1NCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)CC2)N1	REAL300020298352	0	50	-1.0	-49.23	392.13	3.89	-45.34
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O=C1NCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)CC2)N1	REAL300020298353	0	47	-1.0	-50.25	378.70	3.03	-47.22
O=C1NCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)CC2)N1	REAL300020298353	1	47	-1.0	-50.23	378.76	3.06	-47.17
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1F	REAL300020298354	0	49	-1.0	-44.47	399.55	8.47	-36.00
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1F	REAL300020298354	1	49	-1.0	-44.46	399.60	8.48	-35.98
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H]1F	REAL300020298355	0	46	-1.0	-48.49	375.14	7.90	-40.59
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1F	REAL300020298355	1	46	-1.0	-48.54	375.20	7.92	-40.62
COC(=O)COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)CC1	REAL300020298356	0	53	-1.0	-51.79	418.32	8.56	-43.23
COC(=O)COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)CC1	REAL300020298356	1	53	-1.0	-51.77	418.36	8.58	-43.19
CC(C)CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020298357	0	49	-1.0	-43.59	396.46	11.16	-32.43
CC(C)CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020298357	1	49	-1.0	-43.59	396.40	11.14	-32.45
CC(C)CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)=N1	REAL300020298358	0	46	-1.0	-47.69	375.26	10.50	-37.19
CC(C)CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)=N1	REAL300020298358	1	46	-1.0	-47.71	375.20	10.48	-37.23
CC(=O)NCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298359	0	50	-1.0	-48.26	409.26	5.78	-42.48
CC(=O)NCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298359	1	50	-1.0	-48.24	409.31	5.79	-42.45
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020298360	0	47	-1.0	-54.75	384.27	5.22	-49.53
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020298360	1	47	-1.0	-54.74	384.33	5.24	-49.50
C(CC1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1CC1CC1)C1=N[N-]N=N1	REAL300020298361	0	46	-1.0	-43.51	364.58	5.48	-38.03
C(CC1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1CC1CC1)C1=NN=N[N-]1	REAL300020298361	1	46	-1.0	-43.49	364.64	5.50	-37.99
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1CC1CC1	REAL300020298362	0	43	-1.0	-46.79	338.14	4.65	-42.14
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1CC1CC1	REAL300020298362	1	43	-1.0	-46.79	338.20	4.66	-42.13
C1=CC(C2=NN=C(N3C[C@H]4OCCO[C@H]4C3)N2CC2CC2)=CC=C1C1=N[N-]N=N1	REAL300020298363	0	50	-1.0	-43.22	389.64	7.42	-35.80
C1=CC(C2=NN=C(N3C[C@H]4OCCO[C@H]4C3)N2CC2CC2)=CC=C1C1=NN=N[N-]1	REAL300020298363	1	50	-1.0	-43.20	389.68	7.41	-35.79
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C(C)C	REAL300020298364	0	55	-1.0	-42.92	426.31	9.05	-33.87
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C(C)C	REAL300020298364	1	55	-1.0	-42.88	426.37	9.07	-33.81
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C[C@H]1C(C)C	REAL300020298365	0	52	-1.0	-46.13	400.65	8.58	-37.55
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C[C@H]1C(C)C	REAL300020298365	1	52	-1.0	-46.11	400.66	8.60	-37.51
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298366	0	47	-1.0	-40.91	362.70	6.60	-34.31
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298366	1	47	-1.0	-40.91	362.76	6.62	-34.29
CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298367	0	44	-1.0	-45.17	346.38	6.49	-38.68
CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298367	1	44	-1.0	-45.17	346.33	6.47	-38.70
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298368	0	53	-1.0	-42.89	397.08	6.92	-35.97
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298368	1	53	-1.0	-42.87	397.15	6.93	-35.94
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298369	0	50	-1.0	-43.51	383.25	7.64	-35.87
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298369	1	50	-1.0	-43.50	383.20	7.64	-35.86
COCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298370	0	54	-1.0	-50.36	411.15	6.58	-43.78
COCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298370	1	54	-1.0	-50.37	411.20	6.59	-43.78
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298371	0	49	-1.0	-48.62	377.89	4.20	-44.42
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298371	1	49	-1.0	-48.63	377.94	4.22	-44.41
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCCCC1	REAL300020298372	0	50	-1.0	-41.49	363.16	5.91	-35.58
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCCCC1	REAL300020298372	1	50	-1.0	-41.46	363.23	5.93	-35.53
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCCCC1	REAL300020298373	0	47	-1.0	-46.18	344.61	5.58	-40.60
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCCCC1	REAL300020298373	1	47	-1.0	-46.15	344.68	5.59	-40.56
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C1CCCCC1	REAL300020298374	0	54	-1.0	-40.64	406.84	9.22	-31.42
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C1CCCCC1	REAL300020298374	1	54	-1.0	-40.66	406.87	9.20	-31.46
CCSC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298375	0	54	-1.0	-44.21	415.05	7.64	-36.57
CCSC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298375	1	54	-1.0	-44.20	415.11	7.65	-36.55
CCSC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298376	0	51	-1.0	-39.96	383.53	6.75	-33.21
CCSC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298376	1	51	-1.0	-39.97	383.60	6.75	-33.22
CCSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298377	0	53	-1.0	-40.85	407.27	6.76	-34.09
CCSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298377	1	53	-1.0	-40.84	407.31	6.77	-34.07
CCSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298378	0	50	-1.0	-45.01	386.14	7.26	-37.75
CCSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298378	1	50	-1.0	-45.02	386.20	7.29	-37.73
CC1=CC=C(C2CC(C)N(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020298379	0	54	-1.0	-42.73	402.15	7.70	-35.03
CC1=CC=C(C2CC(C)N(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020298379	1	54	-1.0	-42.69	402.20	7.73	-34.96
CC1=CC(F)=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020298380	0	51	-1.0	-45.18	389.04	6.58	-38.60
CC1=CC(F)=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020298380	1	51	-1.0	-45.23	389.10	6.60	-38.63
CC1=CC(F)=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020298381	0	48	-1.0	-49.33	364.64	6.51	-42.82
CC1=CC(F)=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020298381	1	48	-1.0	-49.33	364.69	6.52	-42.81
COCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCC(C)C1	REAL300020298382	0	57	-1.0	-41.90	409.47	5.71	-36.19
COCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCC(C)C1	REAL300020298382	1	57	-1.0	-41.94	409.53	5.73	-36.21
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCC(C)C1	REAL300020298383	0	54	-1.0	-44.56	388.84	4.59	-39.97
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCC(C)C1	REAL300020298383	1	54	-1.0	-44.39	389.71	4.64	-39.75
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298384	0	52	-1.0	-40.31	379.45	6.74	-33.57
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298384	1	52	-1.0	-40.27	379.51	6.75	-33.52
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298385	0	49	-1.0	-48.37	362.96	6.59	-41.78
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298385	1	49	-1.0	-48.40	363.01	6.60	-41.80
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298386	0	56	-1.0	-40.88	417.15	9.12	-31.76
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298386	1	56	-1.0	-40.86	417.20	9.12	-31.74
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCC2=CC=CC=C21	REAL300020298387	0	51	-1.0	-38.37	383.11	8.44	-29.93
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCC2=CC=CC=C21	REAL300020298387	1	51	-1.0	-38.38	383.17	8.45	-29.93
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCC2=CC=CC=C21	REAL300020298388	0	48	-1.0	-44.91	346.31	6.92	-37.99
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCC2=CC=CC=C21	REAL300020298388	1	48	-1.0	-44.92	346.25	6.90	-38.02
COC1=CC=C(C(C)N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298389	0	54	-1.0	-43.44	410.86	6.50	-36.94
COC1=CC=C(C(C)N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298389	1	54	-1.0	-43.42	410.92	6.51	-36.91
COC1=CC=C(C(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298390	0	51	-1.0	-45.25	391.09	6.23	-39.02
COC1=CC=C(C(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298390	1	51	-1.0	-45.36	391.27	6.24	-39.12
CC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298391	0	54	-1.0	-44.86	403.42	7.29	-37.57
CC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298391	1	54	-1.0	-44.90	403.48	7.30	-37.60
CC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298392	0	51	-1.0	-42.47	375.94	6.60	-35.87
CC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298392	1	51	-1.0	-42.52	375.89	6.58	-35.94
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298393	0	50	-1.0	-45.84	394.38	6.97	-38.87
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298393	1	50	-1.0	-45.83	394.33	6.97	-38.86
C(CC1=NN=C(N2CCC3(CC2)OCCO3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298394	0	50	-1.0	-42.45	377.25	4.91	-37.54
C(CC1=NN=C(N2CCC3(CC2)OCCO3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298394	1	50	-1.0	-42.44	377.31	4.93	-37.51
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CC2)OCCO3)N1C1CCOC1	REAL300020298395	0	47	-1.0	-42.88	349.93	3.32	-39.56
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CC2)OCCO3)N1C1CCOC1	REAL300020298395	1	47	-1.0	-42.91	350.00	3.32	-39.59
C(CC1=NN=C(N2CCSCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298396	0	42	-1.0	-40.20	329.25	5.78	-34.42
C(CC1=NN=C(N2CCSCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298396	1	42	-1.0	-40.21	329.31	5.79	-34.42
C(C1=NN=N[N-]1)C1=NN=C(N2CCSCC2)N1C1CCOC1	REAL300020298397	0	39	-1.0	-42.66	304.09	4.08	-38.58
C(C1=N[N-]N=N1)C1=NN=C(N2CCSCC2)N1C1CCOC1	REAL300020298397	1	39	-1.0	-40.51	312.10	5.13	-35.38
C1=CC(C2=NN=C(N3CCSCC3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020298398	0	46	-1.0	-40.00	361.36	8.72	-31.28
C1=CC(C2=NN=C(N3CCSCC3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020298398	1	46	-1.0	-39.96	361.45	8.70	-31.26
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C(C)C	REAL300020298399	0	46	-1.0	-40.21	341.88	4.60	-35.61
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C(C)C	REAL300020298399	1	46	-1.0	-40.21	341.95	4.60	-35.61
CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C(C)C	REAL300020298400	0	43	-1.0	-47.05	314.48	4.02	-43.03
CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C(C)C	REAL300020298400	1	43	-1.0	-47.10	314.44	4.02	-43.08
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C(C)C	REAL300020298401	0	50	-1.0	-42.30	380.39	8.08	-34.22
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C(C)C	REAL300020298401	1	50	-1.0	-42.33	380.43	8.07	-34.26
OCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298402	0	48	-1.0	-46.16	362.72	2.47	-43.69
OCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298402	1	48	-1.0	-46.14	362.78	2.48	-43.66
OCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298403	0	45	-1.0	-44.29	341.90	2.54	-41.75
OCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298403	1	45	-1.0	-44.29	341.95	2.56	-41.73
OCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020298404	0	52	-1.0	-43.94	406.50	5.01	-38.93
OCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020298404	1	52	-1.0	-43.94	406.49	5.00	-38.94
CC(C)N(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298405	0	50	-1.0	-40.91	373.48	6.87	-34.04
CC(C)N(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298405	1	50	-1.0	-40.93	373.54	6.88	-34.05
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298406	0	47	-1.0	-46.74	350.02	6.05	-40.69
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298406	1	47	-1.0	-46.74	349.93	6.03	-40.71
O=C(C1CC1)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298407	0	52	-1.0	-48.05	390.36	6.19	-41.86
O=C(C1CC1)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298407	1	52	-1.0	-48.06	390.42	6.20	-41.86
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298408	0	50	-1.0	-45.14	380.01	6.99	-38.15
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298408	1	50	-1.0	-45.14	380.06	6.99	-38.15
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298409	0	47	-1.0	-49.85	360.94	6.72	-43.13
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298409	1	47	-1.0	-49.88	360.88	6.72	-43.16
C(CC1=NN=C(N(CC2CCOC2)C2CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298410	0	52	-1.0	-39.96	389.23	5.44	-34.52
C(CC1=NN=C(N(CC2CCOC2)C2CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298410	1	52	-1.0	-40.01	389.29	5.46	-34.55
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CCOC2)C2CC2)N1C1CCOC1	REAL300020298411	0	49	-1.0	-42.06	367.52	4.22	-37.84
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CCOC2)C2CC2)N1C1CCOC1	REAL300020298411	1	49	-1.0	-42.05	367.58	4.24	-37.81
FC1=CC=CC(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2CC2)=C1	REAL300020298412	0	51	-1.0	-45.30	399.41	7.31	-37.99
FC1=CC=CC(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2CC2)=C1	REAL300020298412	1	51	-1.0	-45.31	399.47	7.33	-37.98
FC1=CC=CC(CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CC2)=C1	REAL300020298413	0	48	-1.0	-43.27	365.33	7.18	-36.09
FC1=CC=CC(CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CC2)=C1	REAL300020298413	1	48	-1.0	-43.27	365.29	7.18	-36.09
COC1=CC=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020298414	0	52	-1.0	-45.48	402.48	6.89	-38.59
COC1=CC=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020298414	1	52	-1.0	-45.45	402.49	6.88	-38.57
CCC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CC2)C=C1	REAL300020298415	0	54	-1.0	-46.64	411.33	7.80	-38.84
CCC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CC2)C=C1	REAL300020298415	1	54	-1.0	-46.71	411.36	7.81	-38.90
C1=CSC(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2CC2)=C1	REAL300020298416	0	48	-1.0	-43.46	376.97	7.19	-36.27
C1=CSC(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2CC2)=C1	REAL300020298416	1	48	-1.0	-43.47	377.03	7.20	-36.27
C1=CSC(CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CC2)=C1	REAL300020298417	0	45	-1.0	-44.73	349.54	6.21	-38.52
C1=CSC(CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CC2)=C1	REAL300020298417	1	45	-1.0	-44.72	349.50	6.21	-38.51
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298418	0	47	-1.0	-43.42	380.30	7.49	-35.93
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298418	1	47	-1.0	-43.48	379.75	7.54	-35.94
CCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298419	0	56	-1.0	-41.33	393.70	6.95	-34.38
CCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298419	1	56	-1.0	-41.23	393.68	6.97	-34.26
CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298420	0	53	-1.0	-41.23	379.82	7.64	-33.59
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298420	1	53	-1.0	-41.25	379.88	7.67	-33.58
CC1CCCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298421	0	53	-1.0	-43.88	386.94	6.76	-37.12
CC1CCCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298421	1	53	-1.0	-43.88	387.01	6.77	-37.11
CC1CCCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298422	0	50	-1.0	-40.77	357.70	6.01	-34.76
CC1CCCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298422	1	50	-1.0	-40.75	357.76	6.02	-34.73
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298423	0	47	-1.0	-43.58	378.33	7.46	-36.12
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298423	1	47	-1.0	-43.62	378.49	7.46	-36.16
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298424	0	47	-1.0	-40.70	368.57	6.49	-34.21
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298424	1	47	-1.0	-40.69	368.63	6.51	-34.18
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298425	0	44	-1.0	-45.28	347.32	4.58	-40.70
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298425	1	44	-1.0	-45.29	347.26	4.58	-40.71
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1C	REAL300020298426	0	47	-1.0	-39.71	354.36	4.46	-35.25
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1C	REAL300020298426	1	47	-1.0	-39.74	354.42	4.48	-35.26
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1C	REAL300020298427	0	44	-1.0	-43.55	325.43	4.83	-38.72
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1C	REAL300020298427	1	44	-1.0	-43.55	325.38	4.81	-38.74
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1C	REAL300020298428	0	51	-1.0	-46.57	379.06	7.96	-38.61
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1C	REAL300020298428	1	51	-1.0	-46.55	379.09	7.95	-38.60
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298429	0	49	-1.0	-56.81	376.66	0.20	-56.61
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298429	1	49	-1.0	-56.79	376.70	0.21	-56.58
FC(F)(F)CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298430	0	47	-1.0	-45.02	370.88	6.13	-38.89
FC(F)(F)CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298430	1	47	-1.0	-45.08	370.94	6.14	-38.94
FC(F)(F)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298431	0	47	-1.0	-44.65	365.18	6.82	-37.83
FC(F)(F)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298431	1	47	-1.0	-44.64	365.23	6.85	-37.79
C(CC1=NN=C(N2CC3CCCCCCC32)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298432	0	54	-1.0	-39.63	380.17	6.34	-33.29
C(CC1=NN=C(N2CC3CCCCCCC32)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298432	1	54	-1.0	-39.59	380.23	6.36	-33.23
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCCCCC32)N1C1CCOC1	REAL300020298433	0	51	-1.0	-45.95	362.94	6.08	-39.87
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCCCCC32)N1C1CCOC1	REAL300020298433	1	51	-1.0	-45.97	363.02	6.09	-39.88
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C12CCC2	REAL300020298434	0	55	-1.0	-42.81	408.03	6.96	-35.85
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C12CCC2	REAL300020298434	1	55	-1.0	-42.81	408.09	7.00	-35.81
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298435	0	57	-1.0	-44.58	403.00	6.77	-37.81
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298435	1	57	-1.0	-44.61	403.06	6.79	-37.82
FC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1F	REAL300020298436	0	45	-1.0	-52.67	352.12	6.01	-46.66
FC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1F	REAL300020298436	1	45	-1.0	-52.64	352.17	6.02	-46.62
C(CC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1	REAL300020298437	0	57	-1.0	-46.78	415.21	7.47	-39.31
C(CC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1	REAL300020298437	1	57	-1.0	-46.72	415.25	7.46	-39.26
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298438	0	53	-1.0	-41.17	396.66	7.74	-33.43
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298438	1	53	-1.0	-41.22	396.72	7.76	-33.46
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298439	0	50	-1.0	-46.11	376.76	7.10	-39.01
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298439	1	50	-1.0	-46.08	376.71	7.10	-38.98
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298440	0	47	-1.0	-50.23	371.10	7.18	-43.05
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298440	1	47	-1.0	-50.23	371.15	7.19	-43.04
C(CC1=NN=C(N2CCCC2C2CCCCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298441	0	57	-1.0	-41.95	409.80	8.35	-33.60
C(CC1=NN=C(N2CCCC2C2CCCCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298441	1	57	-1.0	-41.93	409.86	8.36	-33.57
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCCCC2)N1C1CCOC1	REAL300020298442	0	54	-1.0	-45.00	377.75	6.60	-38.40
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2CCCCC2)N1C1CCOC1	REAL300020298442	1	54	-1.0	-45.05	377.81	6.62	-38.43
CC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298443	0	54	-1.0	-42.87	403.34	8.26	-34.61
CC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298443	1	54	-1.0	-42.85	403.40	8.27	-34.58
CC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298444	0	51	-1.0	-44.89	380.81	7.56	-37.33
CC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298444	1	51	-1.0	-44.83	380.77	7.55	-37.28
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298445	0	54	-1.0	-42.26	414.48	9.00	-33.26
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298445	1	54	-1.0	-42.28	414.54	9.01	-33.27
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298446	0	51	-1.0	-44.87	391.85	8.33	-36.54
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298446	1	51	-1.0	-44.86	391.79	8.29	-36.57
C1=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=CS1	REAL300020298447	0	48	-1.0	-40.90	382.93	6.90	-34.00
C1=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=CS1	REAL300020298447	1	48	-1.0	-40.90	382.99	6.92	-33.98
C1=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=CS1	REAL300020298448	0	45	-1.0	-41.37	350.76	4.96	-36.41
C1=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=CS1	REAL300020298448	1	45	-1.0	-41.40	350.71	4.95	-36.45
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298449	0	50	-1.0	-44.67	379.25	7.53	-37.14
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298449	1	50	-1.0	-44.67	379.19	7.52	-37.15
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298450	0	50	-1.0	-43.23	377.63	7.42	-35.81
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298450	1	50	-1.0	-43.24	377.58	7.42	-35.82
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298451	0	53	-1.0	-40.48	400.00	8.20	-32.28
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298451	1	53	-1.0	-40.52	400.06	8.22	-32.30
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298452	0	50	-1.0	-50.02	373.52	8.33	-41.69
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298452	1	50	-1.0	-50.03	373.47	8.33	-41.70
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298453	0	47	-1.0	-43.17	378.83	6.69	-36.48
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298453	1	47	-1.0	-43.17	378.90	6.70	-36.47
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298454	0	47	-1.0	-50.66	374.03	7.00	-43.66
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298454	1	47	-1.0	-50.68	374.09	7.00	-43.68
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C(C)C	REAL300020298455	0	55	-1.0	-41.90	401.19	6.16	-35.74
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C(C)C	REAL300020298455	1	55	-1.0	-41.95	401.27	6.15	-35.80
CCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C(C)C	REAL300020298456	0	52	-1.0	-40.57	382.11	7.44	-33.13
CCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C(C)C	REAL300020298456	1	52	-1.0	-40.54	382.16	7.46	-33.08
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298457	0	47	-1.0	-41.32	382.31	6.89	-34.43
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298457	1	47	-1.0	-41.36	382.38	6.91	-34.45
CC(C)N(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298458	0	50	-1.0	-40.65	383.79	6.75	-33.90
CC(C)N(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298458	1	50	-1.0	-40.67	383.84	6.76	-33.91
CC(C)N(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298459	0	47	-1.0	-45.14	368.97	6.29	-38.85
CC(C)N(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298459	1	47	-1.0	-45.08	368.90	6.27	-38.81
CN(CC(=O)N1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298460	0	52	-1.0	-40.48	406.29	3.38	-37.10
CN(CC(=O)N1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298460	1	52	-1.0	-40.49	406.35	3.39	-37.10
CN(CC(=O)N1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298461	0	49	-1.0	-44.86	373.63	2.61	-42.25
CN(CC(=O)N1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298461	1	49	-1.0	-44.92	373.69	2.63	-42.29
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCS(=O)(=O)C1	REAL300020298462	0	47	-1.0	-51.66	370.15	1.69	-49.97
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCS(=O)(=O)C1	REAL300020298462	1	47	-1.0	-51.63	370.21	1.71	-49.92
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCS(=O)(=O)C1	REAL300020298463	0	44	-1.0	-58.35	344.24	0.77	-57.58
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCS(=O)(=O)C1	REAL300020298463	1	44	-1.0	-58.33	344.29	0.77	-57.56
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298464	0	51	-1.0	-46.04	400.59	5.53	-40.51
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298464	1	51	-1.0	-46.05	400.64	5.55	-40.50
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCS(=O)(=O)C1	REAL300020298465	0	50	-1.0	-47.49	382.47	1.68	-45.81
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCS(=O)(=O)C1	REAL300020298465	1	50	-1.0	-47.51	382.53	1.68	-45.83
CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCS(=O)(=O)C1	REAL300020298466	0	47	-1.0	-52.08	359.53	1.36	-50.72
CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCS(=O)(=O)C1	REAL300020298466	1	47	-1.0	-52.10	359.61	1.37	-50.73
CC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298467	0	53	-1.0	-40.24	368.48	6.38	-33.86
CC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298467	1	53	-1.0	-40.25	368.53	6.39	-33.86
CC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298468	0	50	-1.0	-41.16	354.58	6.78	-34.38
CC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298468	1	50	-1.0	-41.16	354.62	6.82	-34.34
CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298469	0	47	-1.0	-39.55	376.07	5.90	-33.65
CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298469	1	47	-1.0	-39.56	376.13	5.92	-33.64
CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298470	0	44	-1.0	-45.18	347.42	5.52	-39.66
CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298470	1	44	-1.0	-45.21	347.37	5.49	-39.72
OC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020298471	0	50	-1.0	-46.42	395.09	5.51	-40.91
OC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020298471	1	50	-1.0	-46.43	395.14	5.52	-40.91
CN(CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298472	0	49	-1.0	-52.69	396.87	7.97	-44.72
CN(CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298472	1	49	-1.0	-52.70	396.93	7.99	-44.71
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298473	0	53	-1.0	-48.86	416.99	4.69	-44.17
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298473	1	53	-1.0	-48.88	417.04	4.70	-44.18
C#CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298474	0	50	-1.0	-51.01	391.86	3.79	-47.22
C#CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298474	1	50	-1.0	-51.00	391.92	3.79	-47.21
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298475	0	52	-1.0	-50.46	397.23	3.48	-46.98
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298475	1	52	-1.0	-50.49	397.28	3.48	-47.01
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298476	0	49	-1.0	-54.40	382.28	3.20	-51.20
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298476	1	49	-1.0	-54.38	382.33	3.22	-51.16
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298477	0	51	-1.0	-45.81	383.70	6.54	-39.27
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298477	1	51	-1.0	-45.82	383.76	6.56	-39.26
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298478	0	48	-1.0	-44.25	357.13	5.91	-38.34
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298478	1	48	-1.0	-44.27	357.07	5.90	-38.37
C(CC1=NN=C(N2CC3CCCC32)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298479	0	45	-1.0	-45.99	331.97	3.82	-42.17
C(CC1=NN=C(N2CC3CCCC32)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298479	1	45	-1.0	-46.02	332.03	3.84	-42.18
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCC32)N1C1CCOC1	REAL300020298480	0	42	-1.0	-40.81	313.93	4.60	-36.21
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCC32)N1C1CCOC1	REAL300020298480	1	42	-1.0	-40.82	313.87	4.60	-36.22
C1=CC(C2=NN=C(N3CC4CCCC43)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020298481	0	49	-1.0	-46.44	368.85	6.24	-40.20
C1=CC(C2=NN=C(N3CC4CCCC43)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020298481	1	49	-1.0	-46.44	368.89	6.22	-40.22
FC1=CC=CC(CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CC2)=C1	REAL300020298482	0	51	-1.0	-43.98	409.75	9.36	-34.62
FC1=CC=CC(CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CC2)=C1	REAL300020298482	1	51	-1.0	-45.71	407.48	8.30	-37.41
CC(C)(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298483	0	59	-1.0	-45.29	411.68	7.49	-37.80
CC(C)(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298483	1	59	-1.0	-45.26	411.73	7.51	-37.75
CC(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298484	0	56	-1.0	-42.53	383.64	6.74	-35.79
CC(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298484	1	56	-1.0	-42.57	383.70	6.75	-35.82
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298485	0	56	-1.0	-43.93	403.89	7.67	-36.26
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298485	1	56	-1.0	-43.90	403.95	7.69	-36.21
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298486	0	53	-1.0	-45.03	375.10	6.67	-38.36
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298486	1	53	-1.0	-44.97	375.17	6.68	-38.29
C#CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298487	0	42	-1.0	-39.60	320.36	4.62	-34.98
C#CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298487	1	42	-1.0	-39.62	320.43	4.64	-34.98
C#CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298488	0	39	-1.0	-45.16	312.96	3.92	-41.24
C#CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298488	1	39	-1.0	-45.14	312.91	3.91	-41.23
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298489	0	46	-1.0	-40.90	357.75	7.89	-33.01
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298489	1	46	-1.0	-40.99	357.84	7.93	-33.06
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020298490	0	52	-1.0	-43.11	397.72	6.58	-36.53
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020298490	1	52	-1.0	-43.10	397.78	6.60	-36.50
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020298491	0	49	-1.0	-46.64	377.33	6.30	-40.34
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020298491	1	49	-1.0	-46.63	377.29	6.29	-40.34
CC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298492	0	53	-1.0	-43.86	372.76	7.99	-35.87
CC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298492	1	53	-1.0	-43.87	372.82	8.00	-35.87
CC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298493	0	50	-1.0	-42.25	344.71	7.20	-35.05
CC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298493	1	50	-1.0	-42.19	344.76	7.21	-34.98
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298494	0	54	-1.0	-46.06	395.01	7.54	-38.52
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298494	1	54	-1.0	-46.07	395.06	7.55	-38.52
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298495	0	54	-1.0	-41.78	401.29	8.23	-33.55
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298495	1	54	-1.0	-41.77	401.35	8.25	-33.52
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298496	0	51	-1.0	-47.04	377.43	7.37	-39.67
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298496	1	51	-1.0	-47.01	377.50	7.38	-39.63
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298497	0	54	-1.0	-42.18	391.34	6.78	-35.40
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298497	1	54	-1.0	-42.20	391.29	6.78	-35.42
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCCC3)CC2)N1C1CCOC1	REAL300020298498	0	57	-1.0	-42.18	384.17	7.24	-34.94
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCCC3)CC2)N1C1CCOC1	REAL300020298498	1	57	-1.0	-42.13	384.23	7.24	-34.89
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298499	0	48	-1.0	-44.43	372.21	5.71	-38.72
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298499	1	48	-1.0	-44.40	372.28	5.72	-38.68
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298500	0	45	-1.0	-47.53	344.12	7.44	-40.09
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298500	1	45	-1.0	-47.51	344.07	7.42	-40.09
CN(CCCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298501	0	50	-1.0	-42.72	380.17	2.65	-40.07
CN(CCCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298501	1	50	-1.0	-42.69	380.27	2.66	-40.03
CN(CCCCCO)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298502	0	47	-1.0	-47.03	363.17	2.49	-44.54
CN(CCCCCO)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298502	1	47	-1.0	-47.00	363.22	2.49	-44.51
CN(CCCCCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298503	0	54	-1.0	-43.20	414.11	5.96	-37.24
CN(CCCCCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298503	1	54	-1.0	-43.20	413.82	5.88	-37.32
COCCN(CC1=CC=C(C)O1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298504	0	51	-1.0	-48.82	390.49	5.35	-43.47
COCCN(CC1=CC=C(C)O1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298504	1	51	-1.0	-48.79	390.53	5.35	-43.44
C1=CC=C(C2=CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020298505	0	52	-1.0	-44.77	400.70	7.48	-37.29
C1=CC=C(C2=CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020298505	1	52	-1.0	-44.74	400.75	7.49	-37.25
C1=CC=C(C2=CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020298506	0	49	-1.0	-50.06	375.84	7.39	-42.67
C1=CC=C(C2=CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020298506	1	49	-1.0	-50.07	375.79	7.38	-42.69
CC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298507	0	50	-1.0	-39.55	378.30	5.68	-33.87
CC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298507	1	50	-1.0	-39.56	378.35	5.69	-33.87
CC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298508	0	47	-1.0	-41.45	355.32	5.19	-36.26
CC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298508	1	47	-1.0	-41.45	355.38	5.22	-36.23
CC1CCC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020298509	0	54	-1.0	-43.71	410.40	8.71	-35.00
CC1CCC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020298509	1	54	-1.0	-43.66	410.45	8.70	-34.96
CC1C2=CC=CC=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298510	0	51	-1.0	-45.45	381.45	6.63	-38.82
CC1C2=CC=CC=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298510	1	51	-1.0	-45.46	381.51	6.64	-38.82
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298511	0	48	-1.0	-43.02	351.80	5.73	-37.29
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298511	1	48	-1.0	-43.05	351.75	5.73	-37.32
CC(=O)NC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298512	0	54	-1.0	-56.25	404.23	3.89	-52.36
CC(=O)NC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298512	1	54	-1.0	-56.22	404.26	3.89	-52.33
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298513	0	48	-1.0	-40.97	362.72	6.21	-34.76
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298513	1	48	-1.0	-40.92	362.77	6.22	-34.70
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298514	0	45	-1.0	-45.07	344.37	6.05	-39.02
C=CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298514	1	45	-1.0	-45.04	344.31	6.04	-39.00
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298515	0	52	-1.0	-41.47	407.22	9.10	-32.37
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298515	1	52	-1.0	-41.51	407.24	9.09	-32.42
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298516	0	51	-1.0	-42.08	402.74	6.40	-35.68
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298516	1	51	-1.0	-42.02	402.80	6.41	-35.61
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298517	0	48	-1.0	-43.81	387.57	6.16	-37.65
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298517	1	48	-1.0	-43.81	387.51	6.14	-37.67
CC12CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC1C2(Cl)Cl	REAL300020298518	0	45	-1.0	-46.92	355.51	6.78	-40.14
CC12CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC1C2(Cl)Cl	REAL300020298518	1	45	-1.0	-46.92	355.56	6.79	-40.13
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298519	0	49	-1.0	-54.38	385.60	7.62	-46.76
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298519	1	49	-1.0	-54.42	385.64	7.64	-46.78
C1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298520	0	45	-1.0	-41.79	356.47	8.59	-33.20
C1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298520	1	45	-1.0	-41.81	356.52	8.60	-33.21
C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298521	0	42	-1.0	-47.12	319.09	8.05	-39.07
C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298521	1	42	-1.0	-47.03	319.03	8.05	-38.98
CC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298522	0	47	-1.0	-42.00	364.04	7.15	-34.85
CC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298522	1	47	-1.0	-42.03	364.10	7.17	-34.86
CC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298523	0	44	-1.0	-43.48	346.21	6.74	-36.74
CC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298523	1	44	-1.0	-43.50	346.15	6.72	-36.78
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298524	0	47	-1.0	-41.82	363.99	7.14	-34.68
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298524	1	47	-1.0	-41.84	364.05	7.16	-34.68
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298525	0	44	-1.0	-50.59	345.30	7.61	-42.98
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298525	1	44	-1.0	-50.58	345.25	7.60	-42.98
CC1=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=CC(C)=C1	REAL300020298526	0	50	-1.0	-40.98	388.47	8.09	-32.89
CC1=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=CC(C)=C1	REAL300020298526	1	50	-1.0	-41.00	388.53	8.11	-32.89
CC1=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=CC(C)=C1	REAL300020298527	0	47	-1.0	-50.62	366.70	8.27	-42.35
CC1=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=CC(C)=C1	REAL300020298527	1	47	-1.0	-50.64	366.65	8.25	-42.39
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1C	REAL300020298528	0	50	-1.0	-45.57	380.88	9.60	-35.97
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1C	REAL300020298528	1	50	-1.0	-45.59	380.92	9.61	-35.98
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1C	REAL300020298529	0	47	-1.0	-48.59	355.86	9.38	-39.21
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1C	REAL300020298529	1	47	-1.0	-48.58	355.81	9.37	-39.21
CC(C)C1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298530	0	53	-1.0	-41.30	402.79	8.38	-32.92
CC(C)C1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298530	1	53	-1.0	-41.28	402.85	8.40	-32.88
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298531	0	50	-1.0	-49.94	384.10	8.86	-41.08
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298531	1	50	-1.0	-49.92	384.05	8.84	-41.08
CC(C)(C)C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298532	0	54	-1.0	-46.95	395.31	10.39	-36.56
CC(C)(C)C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298532	1	54	-1.0	-46.80	394.98	10.38	-36.42
CC1=CC2=C(C=C1C)N(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020298533	0	51	-1.0	-49.54	385.64	10.06	-39.48
CC1=CC2=C(C=C1C)N(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020298533	1	51	-1.0	-49.52	385.70	10.07	-39.45
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020298534	0	48	-1.0	-47.86	357.43	9.27	-38.59
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020298534	1	48	-1.0	-47.86	357.36	9.27	-38.59
C1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC21CCCC1	REAL300020298535	0	52	-1.0	-48.92	386.33	10.51	-38.41
C1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC21CCCC1	REAL300020298535	1	52	-1.0	-48.92	386.28	10.51	-38.41
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2=CC=CC=C21	REAL300020298536	0	54	-1.0	-49.18	394.42	10.06	-39.12
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2=CC=CC=C21	REAL300020298536	1	54	-1.0	-49.13	394.37	10.05	-39.08
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298537	0	48	-1.0	-41.67	377.88	9.26	-32.41
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298537	1	48	-1.0	-41.69	377.94	9.27	-32.42
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298538	0	45	-1.0	-47.09	340.51	8.72	-38.37
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298538	1	45	-1.0	-47.10	340.45	8.71	-38.39
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2=CC=CC=C21	REAL300020298539	0	54	-1.0	-47.74	400.65	10.42	-37.32
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2=CC=CC=C21	REAL300020298539	1	54	-1.0	-47.73	400.72	10.44	-37.29
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2=CC=CC=C21	REAL300020298540	0	51	-1.0	-45.73	372.29	9.65	-36.08
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2=CC=CC=C21	REAL300020298540	1	51	-1.0	-45.76	372.24	9.65	-36.11
CC(C)C1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298541	0	53	-1.0	-41.81	402.82	8.39	-33.42
CC(C)C1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298541	1	53	-1.0	-41.79	402.88	8.41	-33.38
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298542	0	50	-1.0	-50.82	384.08	8.87	-41.95
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298542	1	50	-1.0	-50.84	384.03	8.85	-41.99
C1=CC=C2C(=C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC21CC1	REAL300020298543	0	49	-1.0	-49.12	379.17	10.17	-38.95
C1=CC=C2C(=C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC21CC1	REAL300020298543	1	49	-1.0	-49.16	379.23	10.18	-38.98
C1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC21CC1	REAL300020298544	0	46	-1.0	-46.50	351.04	9.38	-37.12
C1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC21CC1	REAL300020298544	1	46	-1.0	-46.41	350.98	9.37	-37.04
COC1=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=CC(OC)=C1	REAL300020298545	0	49	-1.0	-54.12	382.85	5.54	-48.58
COC1=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=CC(OC)=C1	REAL300020298545	1	49	-1.0	-54.10	382.79	5.53	-48.57
C1=CC=C2C(=C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC21CCC1	REAL300020298546	0	52	-1.0	-40.48	400.17	10.11	-30.37
C1=CC=C2C(=C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC21CCC1	REAL300020298546	1	52	-1.0	-40.48	400.23	10.12	-30.36
C1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC21CCC1	REAL300020298547	0	49	-1.0	-46.13	363.07	9.68	-36.45
C1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC21CCC1	REAL300020298547	1	49	-1.0	-46.08	363.01	9.68	-36.40
CC(C)(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2=CC=CC=C21	REAL300020298548	0	54	-1.0	-45.64	387.06	9.98	-35.66
CC(C)(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2=CC=CC=C21	REAL300020298548	1	54	-1.0	-45.59	386.97	9.96	-35.63
CC(C)OC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298549	0	54	-1.0	-42.96	411.51	7.43	-35.53
CC(C)OC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298549	1	54	-1.0	-42.96	411.57	7.45	-35.51
CC(C)OC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298550	0	51	-1.0	-52.47	393.18	7.79	-44.68
CC(C)OC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298550	1	51	-1.0	-52.50	393.13	7.77	-44.73
OCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298551	0	54	-1.0	-46.58	404.05	3.88	-42.70
OCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298551	1	54	-1.0	-46.52	404.11	3.91	-42.61
OCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298552	0	51	-1.0	-44.66	382.39	3.94	-40.72
OCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298552	1	51	-1.0	-44.69	382.45	3.97	-40.72
ClC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020298553	0	45	-1.0	-48.25	359.55	6.67	-41.58
ClC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020298553	1	45	-1.0	-48.23	359.60	6.68	-41.55
FC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020298554	0	48	-1.0	-42.92	375.04	7.15	-35.77
FC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020298554	1	48	-1.0	-42.95	375.10	7.17	-35.78
FC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020298555	0	45	-1.0	-48.86	349.27	6.24	-42.62
FC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020298555	1	45	-1.0	-48.85	349.22	6.22	-42.63
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2=CC=CC=C21	REAL300020298556	0	54	-1.0	-40.08	407.48	9.41	-30.67
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=CC=C21	REAL300020298556	1	54	-1.0	-40.13	407.55	9.44	-30.69
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=CC=C21	REAL300020298557	0	51	-1.0	-45.30	385.33	7.76	-37.54
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2=CC=CC=C21	REAL300020298557	1	51	-1.0	-45.25	385.29	7.75	-37.50
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=N1	REAL300020298558	0	47	-1.0	-43.25	363.64	5.64	-37.61
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=N1	REAL300020298558	1	47	-1.0	-43.24	363.69	5.65	-37.59
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=N1	REAL300020298559	0	44	-1.0	-45.16	346.99	4.53	-40.63
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=N1	REAL300020298559	1	44	-1.0	-45.17	346.94	4.51	-40.66
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCC1	REAL300020298560	0	44	-1.0	-43.94	330.26	5.39	-38.55
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCC1	REAL300020298560	1	44	-1.0	-43.95	330.33	5.41	-38.54
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCC1	REAL300020298561	0	41	-1.0	-47.02	316.39	4.72	-42.30
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCC1	REAL300020298561	1	41	-1.0	-47.01	316.34	4.71	-42.30
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C1CCC1	REAL300020298562	0	48	-1.0	-42.15	366.25	8.30	-33.85
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C1CCC1	REAL300020298562	1	48	-1.0	-42.06	366.17	8.25	-33.81
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCS(=O)(=O)CC1	REAL300020298563	0	50	-1.0	-49.63	380.78	3.05	-46.58
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCS(=O)(=O)CC1	REAL300020298563	1	50	-1.0	-49.60	380.84	3.07	-46.53
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCS(=O)(=O)CC1	REAL300020298564	0	47	-1.0	-48.25	360.04	2.36	-45.89
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCS(=O)(=O)CC1	REAL300020298564	1	47	-1.0	-48.24	360.09	2.38	-45.86
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC21CCC1	REAL300020298565	0	52	-1.0	-45.71	390.83	8.49	-37.22
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC21CCC1	REAL300020298565	1	52	-1.0	-45.73	390.77	8.48	-37.25
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2CCCCC12	REAL300020298566	0	54	-1.0	-44.89	391.12	6.98	-37.91
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2CCCCC12	REAL300020298566	1	54	-1.0	-44.86	391.18	6.99	-37.87
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CCCCC12	REAL300020298567	0	51	-1.0	-45.76	354.31	5.32	-40.44
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CCCCC12	REAL300020298567	1	51	-1.0	-45.82	354.38	5.34	-40.48
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298568	0	54	-1.0	-44.07	410.07	8.47	-35.60
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298568	1	54	-1.0	-44.09	410.13	8.48	-35.61
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298569	0	51	-1.0	-43.23	387.66	7.81	-35.42
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298569	1	51	-1.0	-43.23	387.71	7.84	-35.39
FC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298570	0	51	-1.0	-48.88	391.29	7.60	-41.28
FC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298570	1	51	-1.0	-48.88	391.34	7.61	-41.27
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298571	0	56	-1.0	-41.97	397.52	7.69	-34.28
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298571	1	56	-1.0	-41.95	397.58	7.70	-34.25
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298572	0	53	-1.0	-44.99	375.18	7.82	-37.17
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298572	1	53	-1.0	-45.01	375.24	7.83	-37.18
CC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298573	0	45	-1.0	-41.34	344.04	5.62	-35.72
CC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298573	1	45	-1.0	-41.30	344.10	5.63	-35.67
CC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298574	0	42	-1.0	-45.12	323.42	5.35	-39.77
CC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298574	1	42	-1.0	-45.09	323.37	5.33	-39.76
CC1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020298575	0	49	-1.0	-40.76	381.47	8.40	-32.36
CC1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020298575	1	49	-1.0	-40.71	381.52	8.38	-32.33
CC1SCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1C	REAL300020298576	0	48	-1.0	-42.62	359.68	5.89	-36.73
CC1SCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1C	REAL300020298576	1	48	-1.0	-42.61	359.74	5.90	-36.71
CC1SCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1C	REAL300020298577	0	45	-1.0	-41.03	351.26	5.03	-36.00
CC1SCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1C	REAL300020298577	1	45	-1.0	-41.04	351.32	5.05	-35.99
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298578	0	47	-1.0	-38.69	364.11	5.76	-32.93
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298578	1	47	-1.0	-38.68	364.17	5.77	-32.91
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298579	0	44	-1.0	-46.11	331.31	5.04	-41.07
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298579	1	44	-1.0	-46.12	331.25	5.02	-41.10
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298580	0	51	-1.0	-40.29	395.49	8.55	-31.74
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298580	1	51	-1.0	-40.27	395.44	8.55	-31.72
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCC(C)(C)CC1	REAL300020298581	0	56	-1.0	-41.62	404.08	6.19	-35.43
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCC(C)(C)CC1	REAL300020298581	1	56	-1.0	-41.66	404.13	6.20	-35.46
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCC(C)(C)CC1	REAL300020298582	0	53	-1.0	-46.51	378.88	6.45	-40.06
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCC(C)(C)CC1	REAL300020298582	1	53	-1.0	-46.50	378.88	6.45	-40.05
C#CCN(CC#CC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298583	0	44	-1.0	-41.11	355.03	6.14	-34.97
C#CCN(CC#CC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298583	1	44	-1.0	-41.16	355.12	6.15	-35.01
C#CCN(CC#CC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298584	0	41	-1.0	-45.09	342.81	6.17	-38.92
C#CCN(CC#CC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298584	1	41	-1.0	-45.10	342.77	6.17	-38.93
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298585	0	48	-1.0	-40.99	401.65	9.64	-31.35
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298585	1	48	-1.0	-40.97	401.71	9.62	-31.35
CC1=C(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298586	0	48	-1.0	-41.52	355.19	5.93	-35.59
CC1=C(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298586	1	48	-1.0	-41.54	355.25	5.95	-35.59
CC1=C(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298587	0	45	-1.0	-47.66	334.27	5.06	-42.60
CC1=C(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298587	1	45	-1.0	-47.61	334.22	5.06	-42.55
CC1=C(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020298588	0	52	-1.0	-40.64	399.87	9.15	-31.49
CC1=C(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020298588	1	52	-1.0	-40.65	399.91	9.14	-31.51
CCN(CC1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298589	0	50	-1.0	-39.84	372.78	5.80	-34.04
CCN(CC1CCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298589	1	50	-1.0	-39.86	372.84	5.82	-34.04
CCN(CC1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298590	0	47	-1.0	-48.11	347.01	5.65	-42.46
CCN(CC1CCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298590	1	47	-1.0	-48.11	347.06	5.66	-42.45
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298591	0	54	-1.0	-41.07	407.98	8.96	-32.11
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298591	1	54	-1.0	-41.03	408.03	8.95	-32.08
C(CC1=NN=C(N2CC3C2C2CCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298592	0	49	-1.0	-44.67	356.57	7.10	-37.57
C(CC1=NN=C(N2CC3C2C2CCC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298592	1	49	-1.0	-44.60	356.62	7.11	-37.49
C(C1=N[N-]N=N1)C1=NN=C(N2CC3C2C2CCC3C2)N1C1CCOC1	REAL300020298593	0	46	-1.0	-43.38	327.34	4.58	-38.80
C(C1=NN=N[N-]1)C1=NN=C(N2CC3C2C2CCC3C2)N1C1CCOC1	REAL300020298593	1	46	-1.0	-43.37	327.39	4.60	-38.77
CSCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298594	0	44	-1.0	-42.77	349.02	4.88	-37.89
CSCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298594	1	44	-1.0	-42.74	349.06	4.88	-37.86
CSCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298595	0	41	-1.0	-46.00	331.99	4.72	-41.28
CSCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298595	1	41	-1.0	-46.02	332.04	4.74	-41.28
CSCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298596	0	48	-1.0	-43.14	382.93	8.19	-34.95
CSCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298596	1	48	-1.0	-43.11	382.64	8.12	-34.99
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298597	0	51	-1.0	-44.52	394.73	8.29	-36.23
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298597	1	51	-1.0	-44.55	394.77	8.31	-36.24
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298598	0	53	-1.0	-45.39	380.67	6.70	-38.69
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298598	1	53	-1.0	-45.34	380.72	6.72	-38.62
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298599	0	50	-1.0	-42.89	353.76	6.08	-36.81
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298599	1	50	-1.0	-42.93	353.82	6.08	-36.85
CSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298600	0	51	-1.0	-42.99	389.34	8.01	-34.98
CSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298600	1	51	-1.0	-43.01	389.40	8.03	-34.98
CSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298601	0	48	-1.0	-47.01	364.01	6.56	-40.45
CSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298601	1	48	-1.0	-47.03	364.08	6.56	-40.47
CC1(C)CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298602	0	53	-1.0	-41.45	377.36	7.71	-33.74
CC1(C)CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298602	1	53	-1.0	-41.44	377.42	7.73	-33.71
CC1(C)CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298603	0	50	-1.0	-45.67	354.37	7.38	-38.29
CC1(C)CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298603	1	50	-1.0	-45.65	354.42	7.39	-38.26
C(CC1=NN=C(N2CCCC2C2CCCO2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298604	0	52	-1.0	-40.37	380.87	5.43	-34.94
C(CC1=NN=C(N2CCCC2C2CCCO2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298604	1	52	-1.0	-40.43	380.93	5.45	-34.98
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCCO2)N1C1CCOC1	REAL300020298605	0	49	-1.0	-41.38	358.94	4.61	-36.77
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2CCCO2)N1C1CCOC1	REAL300020298605	1	49	-1.0	-41.35	359.01	4.64	-36.71
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=C1	REAL300020298606	0	52	-1.0	-50.07	397.06	8.07	-42.00
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=C1	REAL300020298606	1	52	-1.0	-50.11	397.11	8.08	-42.03
CC(C)(C)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298607	0	54	-1.0	-40.99	398.05	7.25	-33.74
CC(C)(C)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298607	1	54	-1.0	-40.96	398.12	7.27	-33.69
CC(C)(C)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298608	0	51	-1.0	-44.71	377.39	6.97	-37.74
CC(C)(C)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298608	1	51	-1.0	-44.66	377.44	6.98	-37.68
C(CC1=NN=C(N2CCC3(CCOCC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298609	0	55	-1.0	-44.21	392.86	5.33	-38.88
C(CC1=NN=C(N2CCC3(CCOCC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298609	1	55	-1.0	-44.19	392.91	5.35	-38.84
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCOCC3)CC2)N1C1CCOC1	REAL300020298610	0	52	-1.0	-41.45	364.49	4.53	-36.92
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCOCC3)CC2)N1C1CCOC1	REAL300020298610	1	52	-1.0	-41.47	364.54	4.55	-36.92
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2CCCCC2N1	REAL300020298611	0	52	-1.0	-50.73	386.91	2.59	-48.14
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2CCCCC2N1	REAL300020298611	1	52	-1.0	-50.72	386.97	2.61	-48.11
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CCCCC2N1	REAL300020298612	0	49	-1.0	-47.89	365.25	2.91	-44.98
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CCCCC2N1	REAL300020298612	1	49	-1.0	-47.88	365.32	2.94	-44.94
C(CC1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298613	0	54	0.0	-66.08	387.52	7.00	-59.08
C(CC1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298613	1	54	0.0	-70.09	389.04	7.10	-62.99
C(CC1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298613	1	54	0.0	-66.12	387.60	7.01	-59.11
C(CC1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298613	1	54	0.0	-70.00	389.09	7.11	-62.89
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1C1CCOC1	REAL300020298614	0	51	0.0	-62.80	366.90	6.47	-56.33
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1C1CCOC1	REAL300020298614	1	51	0.0	-62.72	360.91	6.30	-56.42
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CC3)CC2)N1C1CCOC1	REAL300020298614	1	51	0.0	-62.82	366.95	6.48	-56.34
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](C3CC3)CC2)N1C1CCOC1	REAL300020298614	1	51	0.0	-62.69	360.96	6.32	-56.37
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@@H+](C3CCCC3)CC2)N1C1CCOC1	REAL300020298615	0	57	0.0	-66.94	394.85	8.14	-58.80
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[N@H+](C3CCCC3)CC2)N1C1CCOC1	REAL300020298615	1	57	0.0	-64.80	397.64	6.72	-58.08
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@@H+](C3CCCC3)CC2)N1C1CCOC1	REAL300020298615	1	57	0.0	-66.99	394.90	8.14	-58.85
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[N@H+](C3CCCC3)CC2)N1C1CCOC1	REAL300020298615	1	57	0.0	-64.76	397.70	6.73	-58.03
C(CC1=NN=C(N2CCCC2C2CCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298616	0	51	-1.0	-40.78	371.30	5.85	-34.93
C(CC1=NN=C(N2CCCC2C2CCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298616	1	51	-1.0	-40.79	371.36	5.86	-34.93
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCC2)N1C1CCOC1	REAL300020298617	0	48	-1.0	-42.22	349.10	5.14	-37.08
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2CCC2)N1C1CCOC1	REAL300020298617	1	48	-1.0	-42.21	349.15	5.17	-37.04
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298618	0	47	-1.0	-51.33	365.56	6.40	-44.93
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298618	1	47	-1.0	-51.35	365.61	6.41	-44.94
C(CC1=NN=C(N(CC2CC2)C2CCCCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298619	0	57	-1.0	-40.08	418.79	7.06	-33.02
C(CC1=NN=C(N(CC2CC2)C2CCCCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298619	1	57	-1.0	-40.11	418.84	7.07	-33.04
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CC2)C2CCCCC2)N1C1CCOC1	REAL300020298620	0	54	-1.0	-48.84	389.96	7.62	-41.22
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CC2)C2CCCCC2)N1C1CCOC1	REAL300020298620	1	54	-1.0	-48.83	390.02	7.62	-41.21
C=CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020298621	0	45	-1.0	-46.13	341.78	4.86	-41.27
C=CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020298621	1	45	-1.0	-46.13	341.84	4.87	-41.26
C=CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020298622	0	42	-1.0	-43.38	312.93	4.13	-39.25
C=CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020298622	1	42	-1.0	-43.39	312.90	4.11	-39.28
C=CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C1CC1	REAL300020298623	0	49	-1.0	-44.17	379.71	8.83	-35.34
C=CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C1CC1	REAL300020298623	1	49	-1.0	-44.16	379.76	8.82	-35.34
N#CC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CC2)C=C1	REAL300020298624	0	49	-1.0	-49.37	389.24	6.74	-42.63
N#CC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CC2)C=C1	REAL300020298624	1	49	-1.0	-49.36	389.28	6.75	-42.61
COCC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298625	0	54	-1.0	-40.19	400.43	6.61	-33.58
COCC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298625	1	54	-1.0	-40.18	400.48	6.61	-33.57
COCC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298626	0	51	-1.0	-43.12	371.92	4.90	-38.22
COCC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298626	1	51	-1.0	-43.11	371.97	4.90	-38.21
CCC1C(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298627	0	50	-1.0	-41.43	366.30	5.60	-35.83
CCC1C(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298627	1	50	-1.0	-41.42	366.36	5.61	-35.81
CCC1C(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298628	0	47	-1.0	-41.52	337.82	4.94	-36.58
CCC1C(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298628	1	47	-1.0	-41.48	337.86	4.94	-36.54
CCC1C(C)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298629	0	54	-1.0	-45.51	397.30	8.06	-37.45
CCC1C(C)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298629	1	54	-1.0	-45.49	397.36	8.06	-37.43
COCC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298630	0	49	-1.0	-41.97	375.71	4.91	-37.06
COCC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298630	1	49	-1.0	-41.95	375.77	4.93	-37.02
COCC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298631	0	46	-1.0	-45.62	355.04	4.63	-40.99
COCC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298631	1	46	-1.0	-45.59	355.10	4.64	-40.95
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1C	REAL300020298632	0	50	-1.0	-43.49	372.82	5.36	-38.13
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1C	REAL300020298632	1	50	-1.0	-43.45	372.87	5.38	-38.07
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1C	REAL300020298633	0	47	-1.0	-41.55	349.10	4.81	-36.74
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1C	REAL300020298633	1	47	-1.0	-41.54	349.16	4.81	-36.73
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1C	REAL300020298634	0	54	-1.0	-44.81	403.80	7.72	-37.09
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1C	REAL300020298634	1	54	-1.0	-44.76	403.84	7.72	-37.04
CC1=CC(C)=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298635	0	54	-1.0	-41.75	407.98	8.42	-33.33
CC1=CC(C)=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298635	1	54	-1.0	-41.78	408.04	8.42	-33.36
CC1=CC(C)=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298636	0	51	-1.0	-45.31	387.59	8.13	-37.18
CC1=CC(C)=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298636	1	51	-1.0	-45.36	387.54	8.11	-37.25
C1=CC=C(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020298637	0	54	-1.0	-41.36	397.75	8.58	-32.78
C1=CC=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020298637	1	54	-1.0	-41.36	397.81	8.59	-32.77
COC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298638	0	52	-1.0	-45.02	392.77	6.43	-38.59
COC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298638	1	52	-1.0	-45.08	392.73	6.41	-38.67
CC1=CC=C(CC2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298639	0	54	-1.0	-42.06	400.15	7.61	-34.45
CC1=CC=C(CC2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298639	1	54	-1.0	-42.04	400.20	7.64	-34.40
CSCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298640	0	47	-1.0	-41.11	370.49	5.66	-35.45
CSCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298640	1	47	-1.0	-41.12	370.59	5.67	-35.45
CSCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298641	0	44	-1.0	-45.28	353.49	5.51	-39.77
CSCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298641	1	44	-1.0	-45.29	353.54	5.51	-39.78
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2=CC=CC=C21	REAL300020298642	0	53	-1.0	-40.59	385.82	5.36	-35.23
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=CC=C21	REAL300020298642	1	53	-1.0	-40.60	385.85	5.38	-35.22
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=CC=C21	REAL300020298643	0	50	-1.0	-44.54	359.63	5.20	-39.34
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2=CC=CC=C21	REAL300020298643	1	50	-1.0	-44.52	359.55	5.20	-39.32
C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCCC2=C1	REAL300020298644	0	51	-1.0	-41.60	375.65	7.53	-34.07
C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCCC2=C1	REAL300020298644	1	51	-1.0	-41.58	375.70	7.55	-34.03
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCCC2=C1	REAL300020298645	0	48	-1.0	-45.77	352.93	7.56	-38.21
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCCC2=C1	REAL300020298645	1	48	-1.0	-45.75	352.86	7.56	-38.19
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCOC1	REAL300020298646	0	45	-1.0	-46.37	340.06	3.20	-43.17
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCOC1	REAL300020298646	1	45	-1.0	-46.31	340.12	3.22	-43.09
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCOC1	REAL300020298647	0	42	-1.0	-46.70	319.08	3.15	-43.55
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCOC1	REAL300020298647	1	42	-1.0	-46.64	319.02	3.14	-43.50
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C1CCOC1	REAL300020298648	0	49	-1.0	-42.47	373.74	6.41	-36.06
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C1CCOC1	REAL300020298648	1	49	-1.0	-42.41	373.81	6.41	-36.00
CC(CC#N)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298649	0	44	-1.0	-43.20	335.68	4.67	-38.53
CC(CC#N)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298649	1	44	-1.0	-43.20	335.78	4.68	-38.52
CC(CC#N)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298650	0	41	-1.0	-46.13	319.43	5.14	-40.99
CC(CC#N)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298650	1	41	-1.0	-46.10	319.38	5.10	-41.00
CC(CC#N)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298651	0	48	-1.0	-42.01	370.73	6.17	-35.84
CC(CC#N)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298651	1	48	-1.0	-41.94	370.74	6.18	-35.76
N#CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298652	0	48	-1.0	-42.87	375.18	5.49	-37.38
N#CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298652	1	48	-1.0	-42.84	375.25	5.51	-37.33
N#CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298653	0	45	-1.0	-47.76	351.26	5.64	-42.12
N#CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298653	1	45	-1.0	-47.77	351.32	5.65	-42.12
COCCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298654	0	48	-1.0	-44.73	383.14	3.52	-41.21
COCCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298654	1	48	-1.0	-44.72	383.18	3.53	-41.19
COCCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298655	0	45	-1.0	-45.85	350.73	3.58	-42.27
COCCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298655	1	45	-1.0	-45.84	350.78	3.58	-42.26
CC(C)CCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298656	0	53	-1.0	-44.93	410.28	6.50	-38.43
CC(C)CCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298656	1	53	-1.0	-44.87	410.35	6.50	-38.37
CC(C)CCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298657	0	50	-1.0	-47.59	380.80	6.14	-41.45
CC(C)CCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298657	1	50	-1.0	-47.57	380.85	6.14	-41.43
O=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCN1	REAL300020298658	0	45	-1.0	-41.80	336.09	1.72	-40.08
O=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCN1	REAL300020298658	1	45	-1.0	-41.76	336.15	1.75	-40.01
O=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCN1	REAL300020298659	0	42	-1.0	-45.22	311.02	0.07	-45.15
O=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCN1	REAL300020298659	1	42	-1.0	-45.21	311.04	0.10	-45.11
O=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCN1	REAL300020298660	0	49	-1.0	-44.32	362.64	2.81	-41.51
O=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCN1	REAL300020298660	1	49	-1.0	-44.28	362.68	2.82	-41.46
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298661	0	54	-1.0	-43.40	407.72	7.53	-35.87
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298661	1	54	-1.0	-43.38	407.79	7.55	-35.83
CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020298662	0	51	-1.0	-41.80	387.31	7.77	-34.03
CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020298662	1	51	-1.0	-41.84	387.37	7.79	-34.05
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020298663	0	48	-1.0	-45.28	366.93	7.48	-37.80
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020298663	1	48	-1.0	-45.33	366.88	7.48	-37.85
CC(C1=CC=CS1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298664	0	47	-1.0	-40.44	374.31	6.20	-34.24
CC(C1=CC=CS1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298664	1	47	-1.0	-40.46	374.37	6.22	-34.24
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298665	0	44	-1.0	-44.93	355.33	5.59	-39.34
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298665	1	44	-1.0	-44.92	355.27	5.58	-39.34
C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298666	0	42	-1.0	-40.61	317.74	4.81	-35.80
C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298666	1	42	-1.0	-40.62	317.81	4.82	-35.80
C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298667	0	39	-1.0	-47.53	294.49	3.80	-43.73
C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298667	1	39	-1.0	-47.50	294.44	3.79	-43.71
C1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020298668	0	46	-1.0	-41.14	346.24	7.75	-33.39
C1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020298668	1	46	-1.0	-41.06	346.29	7.74	-33.32
OC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020298669	0	52	-1.0	-42.68	392.10	5.03	-37.65
OC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020298669	1	52	-1.0	-42.67	392.16	5.03	-37.64
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298670	0	50	-1.0	-47.33	385.88	6.65	-40.68
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298670	1	50	-1.0	-47.38	385.92	6.67	-40.71
CCC(CC)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298671	0	55	-1.0	-41.83	397.17	8.67	-33.16
CCC(CC)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298671	1	55	-1.0	-41.82	397.24	8.68	-33.14
CCC(CC)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298672	0	52	-1.0	-49.86	376.96	8.68	-41.18
CCC(CC)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298672	1	52	-1.0	-49.83	377.01	8.69	-41.14
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020298673	0	53	-1.0	-43.16	400.66	6.62	-36.54
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020298673	1	53	-1.0	-43.16	400.71	6.63	-36.53
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020298674	0	50	-1.0	-41.94	383.58	7.60	-34.34
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020298674	1	50	-1.0	-43.39	377.78	6.53	-36.86
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298675	0	51	-1.0	-41.60	391.17	7.09	-34.51
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298675	1	51	-1.0	-41.58	391.23	7.11	-34.47
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298676	0	48	-1.0	-45.16	375.58	6.79	-38.37
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298676	1	48	-1.0	-45.17	375.38	6.79	-38.38
COCCN(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298677	0	51	-1.0	-42.03	401.08	4.11	-37.92
COCCN(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298677	1	51	-1.0	-42.05	401.14	4.13	-37.92
COCCN(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298678	0	48	-1.0	-48.62	375.87	3.51	-45.11
COCCN(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298678	1	48	-1.0	-48.62	375.96	3.52	-45.10
COCCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298679	0	53	-1.0	-43.86	393.74	4.04	-39.82
COCCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298679	1	53	-1.0	-43.85	393.85	4.05	-39.80
COCCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298680	0	50	-1.0	-48.25	370.31	4.26	-43.99
COCCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298680	1	50	-1.0	-48.27	370.36	4.27	-44.00
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1	REAL300020298681	0	56	-1.0	-39.25	395.72	7.56	-31.69
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1	REAL300020298681	1	56	-1.0	-39.20	395.79	7.58	-31.62
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1	REAL300020298682	0	53	-1.0	-43.91	383.09	6.92	-36.99
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1	REAL300020298682	1	53	-1.0	-43.86	383.13	6.93	-36.93
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298683	0	56	-1.0	-47.25	423.98	9.75	-37.50
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298683	1	56	-1.0	-47.21	424.06	9.76	-37.45
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298684	0	56	-1.0	-42.78	420.19	7.83	-34.95
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298684	1	56	-1.0	-42.78	420.30	7.84	-34.94
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298685	0	53	-1.0	-43.38	402.89	8.67	-34.71
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298685	1	53	-1.0	-43.42	402.83	8.66	-34.76
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1	REAL300020298686	0	59	-1.0	-42.48	432.42	8.71	-33.77
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1	REAL300020298686	1	59	-1.0	-42.47	432.48	8.73	-33.74
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1	REAL300020298687	0	56	-1.0	-44.61	409.20	7.55	-37.06
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1	REAL300020298687	1	56	-1.0	-44.65	409.26	7.57	-37.08
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298688	0	50	-1.0	-41.46	400.02	6.87	-34.59
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298688	1	50	-1.0	-41.46	400.08	6.87	-34.59
CCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298689	0	47	-1.0	-43.71	375.38	6.83	-36.88
CCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298689	1	47	-1.0	-43.71	375.43	6.85	-36.86
CC1COCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298690	0	45	-1.0	-40.37	344.56	4.16	-36.21
CC1COCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298690	1	45	-1.0	-40.39	344.61	4.17	-36.22
CC1COCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298691	0	42	-1.0	-45.61	322.47	2.16	-43.45
CC1COCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298691	1	42	-1.0	-45.58	322.42	2.15	-43.43
CC1COCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298692	0	49	-1.0	-42.49	379.81	6.89	-35.60
CC1COCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298692	1	49	-1.0	-42.51	379.83	6.89	-35.62
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C(C)C	REAL300020298693	0	52	-1.0	-41.20	368.89	4.61	-36.59
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C(C)C	REAL300020298693	1	52	-1.0	-41.17	368.96	4.61	-36.56
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C(C)C	REAL300020298694	0	49	-1.0	-47.89	346.93	4.62	-43.27
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C(C)C	REAL300020298694	1	49	-1.0	-47.85	346.98	4.63	-43.22
CC(C)CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C(C)C	REAL300020298695	0	56	-1.0	-42.52	409.39	7.93	-34.59
CC(C)CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C(C)C	REAL300020298695	1	56	-1.0	-42.50	409.29	7.91	-34.59
CCC1C2=C(CCN1C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)SC=C2	REAL300020298696	0	48	-1.0	-42.74	363.19	5.74	-37.00
CCC1C2=C(CCN1C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)SC=C2	REAL300020298696	1	48	-1.0	-42.73	363.12	5.73	-37.00
CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298697	0	49	-1.0	-41.17	365.83	5.94	-35.23
CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298697	1	49	-1.0	-41.18	365.94	5.97	-35.21
CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298698	0	46	-1.0	-48.14	344.54	5.95	-42.19
CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298698	1	46	-1.0	-48.13	344.49	5.92	-42.21
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298699	0	53	-1.0	-41.09	398.93	8.46	-32.63
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298699	1	53	-1.0	-41.07	398.97	8.45	-32.62
CCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298700	0	49	-1.0	-40.91	362.57	5.43	-35.48
CCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298700	1	49	-1.0	-40.89	362.61	5.43	-35.46
CCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298701	0	46	-1.0	-44.88	341.48	5.94	-38.94
CCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298701	1	46	-1.0	-44.86	341.43	5.93	-38.93
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298702	0	53	-1.0	-41.00	400.33	7.38	-33.62
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298702	1	53	-1.0	-40.94	400.33	7.38	-33.56
OC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298703	0	49	-1.0	-44.95	379.12	4.72	-40.23
OC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298703	1	49	-1.0	-44.90	379.18	4.74	-40.16
OC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298704	0	46	-1.0	-49.77	351.44	3.08	-46.69
OC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298704	1	46	-1.0	-49.76	351.39	3.08	-46.68
CN(CC1=CC=CC=C1O)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298705	0	48	-1.0	-43.81	376.73	3.82	-39.99
CN(CC1=CC=CC=C1O)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298705	1	48	-1.0	-43.79	376.80	3.84	-39.95
CN(CC1=CC=CC=C1O)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298706	0	45	-1.0	-47.82	356.15	3.50	-44.32
CN(CC1=CC=CC=C1O)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298706	1	45	-1.0	-47.78	356.10	3.48	-44.30
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCC2=CC=CC=C21	REAL300020298707	0	50	-1.0	-43.02	382.14	7.22	-35.80
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCC2=CC=CC=C21	REAL300020298707	1	50	-1.0	-43.05	382.08	7.22	-35.83
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298708	0	53	-1.0	-42.28	400.24	7.32	-34.96
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298708	1	53	-1.0	-42.26	400.30	7.32	-34.94
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298709	0	50	-1.0	-45.78	384.90	7.05	-38.73
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298709	1	50	-1.0	-45.75	384.92	7.05	-38.70
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298710	0	54	-1.0	-40.74	413.93	6.07	-34.67
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298710	1	54	-1.0	-40.72	413.97	6.07	-34.65
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298711	0	51	-1.0	-42.56	393.84	6.37	-36.19
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298711	1	51	-1.0	-42.55	393.90	6.40	-36.15
CC(C)C(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298712	0	54	-1.0	-47.47	399.10	5.99	-41.48
CC(C)C(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298712	1	54	-1.0	-47.43	399.16	6.00	-41.43
C(CC1=NN=C(N(CC2CCCCC2)C2CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298713	0	57	-1.0	-42.19	424.35	8.94	-33.25
C(CC1=NN=C(N(CC2CCCCC2)C2CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298713	1	57	-1.0	-42.27	424.42	8.96	-33.31
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CCCCC2)C2CC2)N1C1CCOC1	REAL300020298714	0	54	-1.0	-41.80	397.89	8.85	-32.95
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CCCCC2)C2CC2)N1C1CCOC1	REAL300020298714	1	54	-1.0	-43.49	401.73	8.10	-35.39
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298715	0	59	0.0	-64.95	419.64	7.18	-57.77
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298715	1	59	0.0	-64.96	419.71	7.21	-57.75
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298716	0	56	0.0	-64.07	402.73	6.85	-57.22
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298716	1	56	0.0	-64.11	402.77	6.86	-57.25
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298717	0	52	-1.0	-43.13	405.73	6.89	-36.24
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298717	1	52	-1.0	-43.10	405.68	6.86	-36.24
FC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298718	0	51	-1.0	-43.53	399.48	8.40	-35.13
FC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298718	1	51	-1.0	-43.56	399.54	8.42	-35.14
FC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298719	0	48	-1.0	-45.59	376.85	7.73	-37.86
FC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298719	1	48	-1.0	-45.59	376.80	7.69	-37.90
COCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298720	0	54	-1.0	-39.77	416.06	2.81	-36.96
COCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298720	1	54	-1.0	-39.81	416.14	2.82	-36.99
COCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298721	0	51	-1.0	-48.57	384.83	2.64	-45.93
COCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298721	1	51	-1.0	-48.60	384.88	2.65	-45.95
CCC1(CC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298722	0	59	-1.0	-43.73	402.17	7.83	-35.90
CCC1(CC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298722	1	59	-1.0	-43.69	402.23	7.85	-35.84
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298723	0	56	-1.0	-44.80	378.54	6.66	-38.14
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298723	1	56	-1.0	-44.92	378.43	6.66	-38.26
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020298724	0	54	-1.0	-45.01	404.99	8.69	-36.32
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020298724	1	54	-1.0	-44.96	405.04	8.70	-36.26
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298725	0	51	-1.0	-44.65	382.00	4.57	-40.08
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298725	1	51	-1.0	-44.60	382.06	4.59	-40.01
C[C@H]1COC(C)(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298726	0	48	-1.0	-46.83	357.94	3.80	-43.03
C[C@H]1COC(C)(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298726	1	48	-1.0	-46.82	357.99	3.81	-43.01
C=CCC1N(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCCC1(C)C	REAL300020298727	0	57	-1.0	-44.78	398.29	6.24	-38.54
C=CCC1N(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCCC1(C)C	REAL300020298727	1	57	-1.0	-44.73	398.35	6.25	-38.48
C=CCC1N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCCC1(C)C	REAL300020298728	0	54	-1.0	-44.87	374.40	5.26	-39.61
C=CCC1N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCCC1(C)C	REAL300020298728	1	54	-1.0	-44.85	374.45	5.28	-39.57
CS(=O)(=O)C1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298729	0	50	-1.0	-59.92	382.22	2.60	-57.32
CS(=O)(=O)C1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298729	1	50	-1.0	-59.91	382.27	2.61	-57.30
CC1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298730	0	45	-1.0	-41.32	334.27	5.10	-36.22
CC1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298730	1	45	-1.0	-41.30	334.32	5.12	-36.18
CC1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298731	0	42	-1.0	-47.54	315.20	4.41	-43.13
CC1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298731	1	42	-1.0	-47.57	315.15	4.40	-43.17
CC1=CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020298732	0	49	-1.0	-41.16	366.80	8.33	-32.83
CC1=CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020298732	1	49	-1.0	-41.14	366.83	8.32	-32.82
BrC1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298733	0	42	-1.0	-40.50	348.16	5.74	-34.76
BrC1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298733	1	42	-1.0	-40.54	348.22	5.75	-34.79
BrC1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298734	0	39	-1.0	-44.20	323.72	5.29	-38.91
BrC1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298734	1	39	-1.0	-44.21	323.77	5.31	-38.90
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298735	0	54	-1.0	-39.29	389.07	5.16	-34.13
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298735	1	54	-1.0	-39.25	389.12	5.18	-34.07
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298736	0	51	-1.0	-40.92	362.33	4.48	-36.44
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298736	1	51	-1.0	-40.97	362.39	4.49	-36.48
C(CC1=NN=C(N(CC2CC2)CC2CCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298737	0	54	-1.0	-40.13	403.78	7.89	-32.24
C(CC1=NN=C(N(CC2CC2)CC2CCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298737	1	54	-1.0	-40.15	403.85	7.91	-32.24
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CC2)CC2CCC2)N1C1CCOC1	REAL300020298738	0	51	-1.0	-46.54	388.06	7.61	-38.93
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CC2)CC2CCC2)N1C1CCOC1	REAL300020298738	1	51	-1.0	-46.53	388.11	7.62	-38.91
CC1=C(Br)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298739	0	42	-1.0	-44.11	340.46	5.83	-38.28
CC1=C(Br)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298739	1	42	-1.0	-44.12	340.51	5.84	-38.28
FC(F)O[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298740	0	45	-1.0	-45.94	352.09	2.99	-42.95
FC(F)O[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298740	1	45	-1.0	-45.93	352.15	3.00	-42.93
FC(F)O[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298741	0	42	-1.0	-42.79	323.56	2.23	-40.56
FC(F)O[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298741	1	42	-1.0	-42.85	323.64	2.23	-40.62
C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020298742	0	48	-1.0	-40.73	363.96	7.06	-33.67
C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020298742	1	48	-1.0	-40.74	364.03	7.07	-33.67
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020298743	0	45	-1.0	-45.36	348.92	6.93	-38.43
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020298743	1	45	-1.0	-45.36	348.87	6.92	-38.44
CC12CC(CC(C)(C)C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020298744	0	57	-1.0	-39.97	407.20	8.67	-31.30
CC12CC(CC(C)(C)C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020298744	1	57	-1.0	-39.95	407.26	8.68	-31.27
CC12CC(CC(C)(C)C1)N(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020298745	0	54	-1.0	-43.75	374.85	6.61	-37.14
CC12CC(CC(C)(C)C1)N(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020298745	1	54	-1.0	-43.76	374.91	6.61	-37.15
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCS(=O)(=O)C1	REAL300020298746	0	47	-1.0	-51.66	370.15	1.69	-49.97
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCS(=O)(=O)C1	REAL300020298746	1	47	-1.0	-51.63	370.21	1.71	-49.92
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCS(=O)(=O)C1	REAL300020298747	0	44	-1.0	-58.35	344.24	0.77	-57.58
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCS(=O)(=O)C1	REAL300020298747	1	44	-1.0	-58.33	344.29	0.77	-57.56
OC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020298748	0	51	-1.0	-43.09	383.41	2.46	-40.63
OC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020298748	1	51	-1.0	-43.09	383.46	2.47	-40.62
CCCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298749	0	49	-1.0	-41.11	370.01	5.76	-35.35
CCCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298749	1	49	-1.0	-41.17	370.07	5.77	-35.40
CCCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298750	0	46	-1.0	-46.96	340.92	4.95	-42.01
CCCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298750	1	46	-1.0	-46.96	340.89	4.94	-42.02
CCCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298751	0	53	-1.0	-41.77	398.63	7.93	-33.84
CCCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298751	1	53	-1.0	-41.78	398.69	7.92	-33.86
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298752	0	45	-1.0	-40.67	348.38	5.46	-35.21
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298752	1	45	-1.0	-40.74	348.44	5.48	-35.26
C=CCN(CC=C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298753	0	42	-1.0	-44.92	335.09	5.21	-39.71
C=CCN(CC=C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298753	1	42	-1.0	-44.91	335.04	5.19	-39.72
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298754	0	49	-1.0	-40.34	389.04	8.78	-31.56
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298754	1	49	-1.0	-40.23	389.12	8.78	-31.45
COCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298755	0	51	-1.0	-41.66	393.92	2.31	-39.35
COCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298755	1	51	-1.0	-41.64	393.98	2.33	-39.31
COCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298756	0	48	-1.0	-49.68	362.14	1.67	-48.01
COCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298756	1	48	-1.0	-49.69	362.20	1.67	-48.02
OCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298757	0	51	-1.0	-42.26	386.00	3.37	-38.89
OCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298757	1	51	-1.0	-42.26	386.08	3.37	-38.89
OCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298758	0	48	-1.0	-44.04	376.02	3.37	-40.67
OCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298758	1	48	-1.0	-43.96	375.97	3.34	-40.62
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCCCC1	REAL300020298759	0	53	-1.0	-42.24	385.96	7.15	-35.09
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCCCC1	REAL300020298759	1	53	-1.0	-42.21	386.01	7.17	-35.04
CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCCCC1	REAL300020298760	0	50	-1.0	-44.60	356.54	5.86	-38.74
CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCCCC1	REAL300020298760	1	50	-1.0	-44.61	356.61	5.87	-38.74
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298761	0	50	-1.0	-40.07	387.40	6.87	-33.20
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298761	1	50	-1.0	-40.06	387.47	6.88	-33.18
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298762	0	47	-1.0	-42.10	367.86	6.50	-35.60
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298762	1	47	-1.0	-42.08	367.80	6.47	-35.61
C(CC1=NN=C(N2CCCCCCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298763	0	50	-1.0	-40.00	355.85	7.91	-32.09
C(CC1=NN=C(N2CCCCCCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298763	1	50	-1.0	-40.00	355.91	7.92	-32.08
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCC2)N1C1CCOC1	REAL300020298764	0	47	-1.0	-42.81	338.37	6.65	-36.16
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCC2)N1C1CCOC1	REAL300020298764	1	47	-1.0	-42.75	338.41	6.66	-36.09
C1=CC(C2=NN=C(N3CCCCCCC3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020298765	0	54	-1.0	-40.08	386.95	9.57	-30.51
C1=CC(C2=NN=C(N3CCCCCCC3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020298765	1	54	-1.0	-40.10	386.87	9.57	-30.53
CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298766	0	49	-1.0	-41.09	363.77	5.10	-35.99
CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298766	1	49	-1.0	-41.11	363.88	5.13	-35.98
CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298767	0	46	-1.0	-41.55	347.47	5.59	-35.96
CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298767	1	46	-1.0	-41.61	347.41	5.57	-36.04
CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298768	0	53	-1.0	-41.07	403.05	8.41	-32.66
CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298768	1	53	-1.0	-41.09	403.08	8.40	-32.69
CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298769	0	50	-1.0	-42.03	375.84	5.75	-36.28
CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298769	1	50	-1.0	-42.08	375.89	5.77	-36.31
CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298770	0	47	-1.0	-46.51	352.75	5.76	-40.75
CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298770	1	47	-1.0	-46.52	352.79	5.78	-40.74
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298771	0	54	-1.0	-41.04	413.34	9.15	-31.89
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298771	1	54	-1.0	-41.03	413.38	9.15	-31.88
C=C(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298772	0	47	-1.0	-40.72	355.04	4.72	-36.00
C=C(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298772	1	47	-1.0	-40.71	355.15	4.74	-35.97
C=C(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298773	0	44	-1.0	-47.24	333.17	4.80	-42.44
C=C(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298773	1	44	-1.0	-47.22	333.12	4.79	-42.43
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298774	0	51	-1.0	-40.63	393.62	8.09	-32.54
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298774	1	51	-1.0	-40.74	393.66	8.10	-32.64
COCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298775	0	54	-1.0	-41.96	408.26	5.77	-36.19
COCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298775	1	54	-1.0	-41.99	408.36	5.77	-36.22
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298776	0	51	-1.0	-44.02	397.20	5.35	-38.67
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298776	1	51	-1.0	-44.06	397.14	5.33	-38.73
COC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298777	0	52	-1.0	-41.02	383.86	5.12	-35.90
COC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298777	1	52	-1.0	-41.03	383.92	5.13	-35.90
C1=COC(CN(CC2=CC=CO2)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298778	0	48	-1.0	-48.81	380.28	6.03	-42.78
C1=COC(CN(CC2=CC=CO2)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298778	1	48	-1.0	-48.84	380.24	6.03	-42.81
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298779	0	44	-1.0	-44.18	364.37	6.13	-38.05
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298779	1	44	-1.0	-44.11	364.42	6.14	-37.97
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298780	0	48	-1.0	-39.82	391.75	6.55	-33.27
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298780	1	48	-1.0	-39.82	391.80	6.57	-33.25
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298781	0	45	-1.0	-46.00	369.36	6.82	-39.18
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298781	1	45	-1.0	-45.96	369.31	6.81	-39.15
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298782	0	50	-1.0	-45.58	391.79	4.86	-40.72
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298782	1	50	-1.0	-45.62	391.85	4.88	-40.74
CC1=CC=C(CC(C)N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298783	0	56	-1.0	-41.69	411.66	8.76	-32.93
CC1=CC=C(CC(C)N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298783	1	56	-1.0	-41.69	411.71	8.77	-32.92
CC1=CC=C(CC(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298784	0	53	-1.0	-47.05	403.04	7.97	-39.08
CC1=CC=C(CC(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298784	1	53	-1.0	-47.04	403.09	7.98	-39.06
FC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020298785	0	45	-1.0	-44.15	360.61	6.40	-37.75
FC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020298785	1	45	-1.0	-44.18	360.67	6.42	-37.76
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298786	0	49	-1.0	-55.78	384.49	1.12	-54.66
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298786	1	49	-1.0	-55.75	384.52	1.14	-54.61
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298787	0	46	-1.0	-62.60	362.78	1.12	-61.48
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298787	1	46	-1.0	-62.59	362.83	1.13	-61.46
CS(=O)(=O)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020298788	0	50	-1.0	-57.55	403.73	2.09	-55.46
CS(=O)(=O)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020298788	1	50	-1.0	-57.51	403.79	2.11	-55.40
CS(=O)(=O)CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020298789	0	47	-1.0	-58.02	386.65	3.08	-54.94
CS(=O)(=O)CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020298789	1	47	-1.0	-58.69	380.84	2.01	-56.68
CCN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298790	0	50	-1.0	-39.83	384.87	6.40	-33.43
CCN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298790	1	50	-1.0	-39.84	384.93	6.42	-33.42
CCN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298791	0	47	-1.0	-43.16	363.96	5.61	-37.55
CCN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298791	1	47	-1.0	-43.14	364.01	5.64	-37.50
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298792	0	54	-1.0	-41.77	408.73	8.75	-33.02
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298792	1	54	-1.0	-41.72	408.82	8.74	-32.98
ClC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298793	0	45	-1.0	-49.10	357.09	6.44	-42.66
ClC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298793	1	45	-1.0	-49.10	357.14	6.46	-42.64
FC1=CC(F)=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298794	0	45	-1.0	-43.72	360.87	7.02	-36.70
FC1=CC(F)=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298794	1	45	-1.0	-43.70	360.93	7.04	-36.66
C1=NN(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)C=N1	REAL300020298795	0	53	-1.0	-52.23	409.11	8.34	-43.89
C1=NN(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)C=N1	REAL300020298795	1	53	-1.0	-52.23	409.05	8.32	-43.91
C1=NN(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=N1	REAL300020298796	0	50	-1.0	-49.66	381.22	7.57	-42.09
C1=NN(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=N1	REAL300020298796	1	50	-1.0	-49.67	381.17	7.57	-42.10
CSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298797	0	50	-1.0	-41.01	385.80	5.88	-35.13
CSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298797	1	50	-1.0	-40.99	385.84	5.88	-35.11
CSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298798	0	47	-1.0	-45.14	364.67	6.39	-38.75
CSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298798	1	47	-1.0	-45.17	364.73	6.39	-38.78
CN(CC1=NOC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298799	0	43	-1.0	-43.91	345.15	5.22	-38.69
CN(CC1=NOC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298799	1	43	-1.0	-43.92	345.20	5.24	-38.68
CN(CC1=NOC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298800	0	40	-1.0	-48.52	322.45	3.82	-44.70
CN(CC1=NOC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298800	1	40	-1.0	-48.58	322.41	3.80	-44.78
CN(CC1=NOC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298801	0	47	-1.0	-44.70	381.17	6.93	-37.77
CN(CC1=NOC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298801	1	47	-1.0	-44.70	381.21	6.91	-37.79
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298802	0	51	-1.0	-47.28	390.05	7.52	-39.76
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298802	1	51	-1.0	-47.28	390.11	7.53	-39.75
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020298803	0	56	0.0	-60.92	405.76	6.78	-54.14
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020298803	1	56	0.0	-70.58	393.25	6.69	-63.89
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020298803	1	56	0.0	-60.94	405.82	6.80	-54.14
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020298803	1	56	0.0	-70.58	393.31	6.70	-63.88
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020298804	0	53	0.0	-63.68	372.21	6.67	-57.01
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020298804	1	53	0.0	-60.34	372.70	6.57	-53.77
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020298804	1	53	0.0	-63.67	372.27	6.70	-56.97
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020298804	1	53	0.0	-60.36	372.76	6.59	-53.77
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298805	0	54	-1.0	-43.70	404.11	8.40	-35.30
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298805	1	54	-1.0	-43.66	404.16	8.40	-35.26
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298806	0	54	-1.0	-40.75	406.60	7.16	-33.59
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298806	1	54	-1.0	-40.80	406.63	7.17	-33.63
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298807	0	51	-1.0	-47.19	384.70	7.09	-40.10
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298807	1	51	-1.0	-47.20	384.65	7.09	-40.11
CC(C)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C(C)C1=O	REAL300020298808	0	54	-1.0	-50.33	399.92	4.86	-45.47
CC(C)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C(C)C1=O	REAL300020298808	1	54	-1.0	-50.38	399.99	4.90	-45.48
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1(C)C	REAL300020298809	0	57	-1.0	-41.90	422.08	6.59	-35.31
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1(C)C	REAL300020298809	1	57	-1.0	-41.92	422.14	6.60	-35.32
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1(C)C	REAL300020298810	0	54	-1.0	-44.43	400.45	6.24	-38.19
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1(C)C	REAL300020298810	1	54	-1.0	-44.46	400.49	6.25	-38.21
CC1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298811	0	47	-1.0	-42.25	348.69	4.76	-37.49
CC1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298811	1	47	-1.0	-42.22	348.74	4.78	-37.44
CC1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298812	0	44	-1.0	-46.02	323.29	4.13	-41.89
CC1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298812	1	44	-1.0	-46.02	323.24	4.13	-41.89
CC1CC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020298813	0	51	-1.0	-46.84	378.29	7.40	-39.44
CC1CC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020298813	1	51	-1.0	-46.79	378.32	7.40	-39.39
C1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2CC2)C=C1	REAL300020298814	0	51	-1.0	-42.92	385.65	8.00	-34.92
C1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2CC2)C=C1	REAL300020298814	1	51	-1.0	-42.95	385.70	8.02	-34.93
C1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CC2)C=C1	REAL300020298815	0	48	-1.0	-43.42	355.27	6.95	-36.47
C1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CC2)C=C1	REAL300020298815	1	48	-1.0	-43.42	355.23	6.95	-36.47
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1C	REAL300020298816	0	54	-1.0	-43.14	398.31	8.76	-34.38
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1C	REAL300020298816	1	54	-1.0	-43.14	398.24	8.75	-34.39
FC(F)(F)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298817	0	45	-1.0	-41.46	361.64	5.97	-35.49
FC(F)(F)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298817	1	45	-1.0	-41.48	361.70	5.99	-35.49
FC(F)(F)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298818	0	42	-1.0	-43.92	340.97	5.69	-38.23
FC(F)(F)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298818	1	42	-1.0	-43.92	341.02	5.70	-38.22
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298819	0	48	-1.0	-43.52	372.67	4.19	-39.33
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298819	1	48	-1.0	-43.55	372.73	4.21	-39.34
CC1CN(C)C(=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298820	0	45	-1.0	-42.80	343.12	1.87	-40.93
CC1CN(C)C(=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298820	1	45	-1.0	-42.75	343.06	1.86	-40.89
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298821	0	54	-1.0	-47.70	417.88	5.38	-42.32
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298821	1	54	-1.0	-47.73	417.93	5.40	-42.33
C1=CC=C2C(=C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC21CC1	REAL300020298822	0	52	-1.0	-41.92	396.92	8.37	-33.55
C1=CC=C2C(=C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC21CC1	REAL300020298822	1	52	-1.0	-41.93	396.97	8.38	-33.55
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC21CC1	REAL300020298823	0	49	-1.0	-45.51	376.09	8.31	-37.20
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC21CC1	REAL300020298823	1	49	-1.0	-45.55	376.04	8.30	-37.25
C(CC1=NN=C(N(CC2CC2)C2CCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298824	0	51	-1.0	-40.11	389.98	7.77	-32.34
C(CC1=NN=C(N(CC2CC2)C2CCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298824	1	51	-1.0	-40.18	390.04	7.78	-32.40
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CC2)C2CCC2)N1C1CCOC1	REAL300020298825	0	48	-1.0	-48.83	367.56	7.02	-41.81
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CC2)C2CCC2)N1C1CCOC1	REAL300020298825	1	48	-1.0	-48.84	367.62	7.02	-41.82
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298826	0	50	-1.0	-44.10	396.96	7.56	-36.54
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298826	1	50	-1.0	-44.11	397.02	7.59	-36.52
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298827	0	48	-1.0	-41.03	364.62	3.35	-37.68
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298827	1	48	-1.0	-41.01	364.68	3.37	-37.64
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298828	0	45	-1.0	-46.01	345.76	3.47	-42.54
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298828	1	45	-1.0	-46.03	345.71	3.46	-42.57
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298829	0	52	-1.0	-43.67	401.56	7.44	-36.23
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298829	1	52	-1.0	-43.69	401.61	7.44	-36.25
CCCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298830	0	59	-1.0	-40.33	414.26	7.69	-32.64
CCCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298830	1	59	-1.0	-40.37	414.30	7.72	-32.65
CCCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298831	0	56	-1.0	-41.13	401.34	8.40	-32.73
CCCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298831	1	56	-1.0	-41.12	401.38	8.41	-32.71
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298832	0	52	-1.0	-40.31	379.45	6.74	-33.57
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298832	1	52	-1.0	-40.27	379.51	6.75	-33.52
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298833	0	49	-1.0	-48.37	362.96	6.59	-41.78
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298833	1	49	-1.0	-48.40	363.01	6.60	-41.80
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298834	0	56	-1.0	-40.88	417.15	9.12	-31.76
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298834	1	56	-1.0	-40.86	417.20	9.12	-31.74
CC(C)CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298835	0	56	-1.0	-43.20	406.39	6.98	-36.22
CC(C)CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298835	1	56	-1.0	-43.21	406.45	6.99	-36.22
CC(C)CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298836	0	53	-1.0	-45.67	384.02	6.34	-39.33
CC(C)CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298836	1	53	-1.0	-45.68	384.09	6.34	-39.34
CCC(CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1=CC=CC=C1	REAL300020298837	0	56	-1.0	-43.33	422.51	9.73	-33.60
CCC(CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1=CC=CC=C1	REAL300020298837	1	56	-1.0	-43.31	422.57	9.74	-33.57
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCCC2=C1C=NN2C	REAL300020298838	0	54	-1.0	-51.92	395.58	5.54	-46.38
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCCC2=C1C=NN2C	REAL300020298838	1	54	-1.0	-51.92	395.64	5.55	-46.37
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCCC2=C1C=NN2C	REAL300020298839	0	51	-1.0	-50.02	370.66	4.20	-45.82
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCCC2=C1C=NN2C	REAL300020298839	1	51	-1.0	-50.04	370.69	4.21	-45.83
C1=CC=C(N2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020298840	0	53	-1.0	-45.31	393.69	6.27	-39.04
C1=CC=C(N2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020298840	1	53	-1.0	-45.32	393.76	6.28	-39.04
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1O	REAL300020298841	0	49	-1.0	-46.18	385.20	3.38	-42.80
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1O	REAL300020298841	1	49	-1.0	-46.20	385.26	3.39	-42.81
CCN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298842	0	51	-1.0	-42.27	377.10	3.88	-38.39
CCN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298842	1	51	-1.0	-42.26	377.15	3.90	-38.36
CCN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298843	0	48	-1.0	-47.05	361.90	4.50	-42.55
CCN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298843	1	48	-1.0	-47.00	361.95	4.51	-42.49
C(CC1=NN=C(N2CC3CCC2C3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298844	0	45	-1.0	-41.05	332.37	5.63	-35.42
C(CC1=NN=C(N2CC3CCC2C3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298844	1	45	-1.0	-41.08	332.43	5.64	-35.44
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC2C3)N1C1CCOC1	REAL300020298845	0	42	-1.0	-48.84	307.55	4.25	-44.59
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC2C3)N1C1CCOC1	REAL300020298845	1	42	-1.0	-48.85	307.49	4.24	-44.61
C1=CC(C2=NN=C(N3CC4CCC3C4)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020298846	0	49	-1.0	-41.59	370.64	7.66	-33.93
C1=CC(C2=NN=C(N3CC4CCC3C4)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020298846	1	49	-1.0	-41.64	370.67	7.66	-33.98
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CC2=CC=CC=C2C1	REAL300020298847	0	51	-1.0	-43.05	386.22	7.64	-35.41
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CC2=CC=CC=C2C1	REAL300020298847	1	51	-1.0	-43.03	386.27	7.66	-35.37
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC2=CC=CC=C2C1	REAL300020298848	0	48	-1.0	-46.32	371.03	7.40	-38.92
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC2=CC=CC=C2C1	REAL300020298848	1	48	-1.0	-46.28	370.98	7.39	-38.89
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298849	0	51	-1.0	-41.04	400.87	7.24	-33.80
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298849	1	51	-1.0	-41.02	400.96	7.26	-33.76
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298850	0	48	-1.0	-46.08	382.28	6.78	-39.30
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298850	1	48	-1.0	-46.06	382.24	6.75	-39.31
CCCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298851	0	59	-1.0	-40.73	429.41	9.04	-31.69
CCCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298851	1	59	-1.0	-40.74	429.46	9.06	-31.68
CCCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298852	0	56	-1.0	-48.01	403.09	7.89	-40.12
CCCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298852	1	56	-1.0	-48.00	403.15	7.89	-40.11
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298853	0	50	-1.0	-42.30	388.37	4.29	-38.01
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298853	1	50	-1.0	-42.34	388.31	4.27	-38.07
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298854	0	47	-1.0	-45.32	370.64	4.14	-41.18
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298854	1	47	-1.0	-45.35	370.59	4.12	-41.23
C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298855	0	45	-1.0	-40.12	345.84	6.08	-34.04
C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298855	1	45	-1.0	-40.13	345.89	6.09	-34.04
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298856	0	42	-1.0	-46.61	328.53	5.84	-40.77
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298856	1	42	-1.0	-46.60	328.46	5.84	-40.76
C1=CC2=C(CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)S1	REAL300020298857	0	48	-1.0	-40.85	375.52	6.86	-33.99
C1=CC2=C(CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)S1	REAL300020298857	1	48	-1.0	-40.86	375.58	6.88	-33.98
C1=CC2=C(CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)S1	REAL300020298858	0	45	-1.0	-44.87	348.18	6.92	-37.95
C1=CC2=C(CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)S1	REAL300020298858	1	45	-1.0	-44.83	348.12	6.91	-37.92
ClC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020298859	0	45	-1.0	-45.06	363.25	7.35	-37.71
ClC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020298859	1	45	-1.0	-45.09	363.30	7.37	-37.72
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298860	0	51	-1.0	-42.52	389.92	4.46	-38.06
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298860	1	51	-1.0	-42.50	389.94	4.46	-38.04
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298861	0	48	-1.0	-45.14	374.04	4.16	-40.98
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298861	1	48	-1.0	-45.11	374.59	4.12	-40.99
CCCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298862	0	57	-1.0	-44.94	417.59	5.90	-39.04
CCCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298862	1	57	-1.0	-44.91	417.65	5.91	-39.00
CCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298863	0	54	-1.0	-40.41	391.94	5.91	-34.50
CCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298863	1	54	-1.0	-40.39	392.01	5.91	-34.48
CCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298864	0	53	-1.0	-42.62	393.22	4.00	-38.62
CCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298864	1	53	-1.0	-42.62	393.30	4.01	-38.61
CCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298865	0	50	-1.0	-48.65	372.66	4.35	-44.30
CCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298865	1	50	-1.0	-48.68	372.71	4.36	-44.32
O=[N+]([O-])C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298866	0	47	-1.0	-47.73	377.18	7.59	-40.14
O=[N+]([O-])C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298866	1	47	-1.0	-47.72	377.23	7.60	-40.12
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298867	0	48	-1.0	-49.78	363.57	3.66	-46.12
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298867	1	48	-1.0	-49.75	363.63	3.68	-46.07
CC1C(=O)N(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298868	0	45	-1.0	-44.66	334.39	2.97	-41.69
CC1C(=O)N(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298868	1	45	-1.0	-44.61	334.38	2.97	-41.64
CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298869	0	47	-1.0	-45.47	345.82	5.16	-40.31
CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298869	1	47	-1.0	-45.49	345.88	5.18	-40.31
CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298870	0	44	-1.0	-46.34	328.91	4.08	-42.26
CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298870	1	44	-1.0	-46.36	328.89	4.09	-42.27
CCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298871	0	51	-1.0	-41.43	387.26	8.29	-33.14
CCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298871	1	51	-1.0	-41.40	387.29	8.28	-33.12
CCSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298872	0	54	-1.0	-42.75	401.26	6.98	-35.77
CCSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298872	1	54	-1.0	-42.73	401.32	7.00	-35.73
CCSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298873	0	51	-1.0	-46.39	382.40	7.12	-39.27
CCSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298873	1	51	-1.0	-46.38	382.45	7.12	-39.26
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298874	0	57	-1.0	-41.41	422.76	8.97	-32.44
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298874	1	57	-1.0	-41.41	422.81	8.98	-32.43
C=CCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298875	0	54	-1.0	-48.35	396.64	7.90	-40.45
C=CCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298875	1	54	-1.0	-48.34	396.69	7.92	-40.42
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298876	0	47	-1.0	-38.69	364.11	5.76	-32.93
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298876	1	47	-1.0	-38.68	364.17	5.77	-32.91
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298877	0	44	-1.0	-46.11	331.31	5.04	-41.07
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298877	1	44	-1.0	-46.12	331.25	5.02	-41.10
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298878	0	51	-1.0	-40.29	395.49	8.55	-31.74
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298878	1	51	-1.0	-40.27	395.44	8.55	-31.72
OCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020298879	0	51	-1.0	-46.64	396.51	3.54	-43.10
OCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020298879	1	51	-1.0	-46.60	396.57	3.55	-43.05
OCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020298880	0	48	-1.0	-45.25	377.43	3.76	-41.49
OCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020298880	1	48	-1.0	-46.50	371.64	2.68	-43.82
FC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298881	0	48	-1.0	-43.01	374.51	7.64	-35.37
FC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298881	1	48	-1.0	-43.01	374.57	7.66	-35.35
FC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298882	0	45	-1.0	-49.80	346.83	6.01	-43.79
FC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298882	1	45	-1.0	-49.76	346.78	6.00	-43.76
FC1=CC=C(CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CC2)C=C1	REAL300020298883	0	51	-1.0	-43.51	406.90	8.00	-35.51
FC1=CC=C(CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CC2)C=C1	REAL300020298883	1	51	-1.0	-43.52	406.96	8.03	-35.49
CC(CS(C)(=O)=O)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298884	0	49	-1.0	-50.93	375.76	2.58	-48.35
CC(CS(C)(=O)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298884	1	49	-1.0	-50.90	375.82	2.59	-48.31
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298885	0	46	-1.0	-54.94	360.81	2.31	-52.63
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298885	1	46	-1.0	-54.90	360.86	2.33	-52.57
C1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020298886	0	51	-1.0	-40.63	380.44	7.50	-33.13
C1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020298886	1	51	-1.0	-40.68	380.49	7.52	-33.16
C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020298887	0	48	-1.0	-42.81	358.33	6.92	-35.89
C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020298887	1	48	-1.0	-42.79	358.27	6.89	-35.90
OCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298888	0	54	-1.0	-43.91	416.84	4.18	-39.73
OCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298888	1	54	-1.0	-43.87	416.90	4.20	-39.67
OCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298889	0	51	-1.0	-50.43	388.84	4.18	-46.25
OCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298889	1	51	-1.0	-50.44	388.89	4.19	-46.25
CC1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298890	0	45	-1.0	-39.06	355.60	5.07	-33.99
CC1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298890	1	45	-1.0	-39.09	355.65	5.09	-34.00
CC1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298891	0	42	-1.0	-40.42	333.33	4.54	-35.88
CC1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298891	1	42	-1.0	-40.44	333.39	4.57	-35.87
CC1CSCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298892	0	49	-1.0	-43.18	386.95	7.75	-35.43
CC1CSCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298892	1	49	-1.0	-43.14	387.00	7.74	-35.40
OC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298893	0	52	-1.0	-45.48	392.96	3.77	-41.71
OC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298893	1	52	-1.0	-45.53	393.02	3.79	-41.74
OC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298894	0	49	-1.0	-44.30	364.86	2.95	-41.35
OC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298894	1	49	-1.0	-44.32	364.80	2.95	-41.37
C(CC1=NN=C(N2CCCC3CCCC32)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298895	0	51	-1.0	-45.72	369.59	5.87	-39.85
C(CC1=NN=C(N2CCCC3CCCC32)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298895	1	51	-1.0	-45.76	369.64	5.88	-39.88
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3CCCC32)N1C1CCOC1	REAL300020298896	0	48	-1.0	-46.65	349.17	5.78	-40.87
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3CCCC32)N1C1CCOC1	REAL300020298896	1	48	-1.0	-46.67	349.24	5.79	-40.88
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298897	0	49	-1.0	-47.49	396.55	7.18	-40.31
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298897	1	49	-1.0	-47.45	396.47	7.16	-40.29
C#CCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298898	0	42	-1.0	-40.40	331.50	4.90	-35.50
C#CCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298898	1	42	-1.0	-40.41	331.57	4.91	-35.50
C#CCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298899	0	39	-1.0	-44.91	308.34	4.95	-39.96
C#CCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298899	1	39	-1.0	-44.90	308.27	4.95	-39.95
C#CCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298900	0	46	-1.0	-41.27	365.98	8.32	-32.95
C#CCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298900	1	46	-1.0	-41.25	366.04	8.31	-32.94
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298901	0	54	-1.0	-41.13	425.37	8.57	-32.56
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298901	1	54	-1.0	-41.11	425.43	8.59	-32.52
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298902	0	51	-1.0	-43.05	406.10	7.96	-35.09
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298902	1	51	-1.0	-43.01	406.04	7.93	-35.08
C1=CC=C(CN(CC2CCC2)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298903	0	54	-1.0	-43.26	412.40	8.69	-34.57
C1=CC=C(CN(CC2CCC2)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298903	1	54	-1.0	-43.22	412.38	8.66	-34.56
CCOCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298904	0	50	-1.0	-40.52	374.11	4.07	-36.45
CCOCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298904	1	50	-1.0	-40.52	374.18	4.08	-36.44
CCOCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298905	0	47	-1.0	-46.13	351.67	4.09	-42.04
CCOCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298905	1	47	-1.0	-46.11	351.73	4.09	-42.02
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020298906	0	54	-1.0	-40.63	413.10	7.52	-33.11
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020298906	1	54	-1.0	-40.58	413.14	7.51	-33.07
COC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298907	0	52	-1.0	-44.01	397.63	6.87	-37.14
COC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298907	1	52	-1.0	-44.05	397.68	6.89	-37.16
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298908	0	49	-1.0	-51.28	369.95	5.24	-46.04
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298908	1	49	-1.0	-51.24	369.89	5.23	-46.01
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298909	0	49	-1.0	-41.13	399.58	7.54	-33.59
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298909	1	49	-1.0	-41.18	399.65	7.55	-33.63
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298910	0	46	-1.0	-45.03	375.57	7.08	-37.95
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298910	1	46	-1.0	-44.88	374.43	7.03	-37.85
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1	REAL300020298911	0	50	-1.0	-41.16	362.94	7.00	-34.16
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1	REAL300020298911	1	50	-1.0	-41.16	362.99	7.01	-34.15
CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1	REAL300020298912	0	47	-1.0	-43.48	348.91	5.74	-37.74
CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1	REAL300020298912	1	47	-1.0	-43.44	348.96	5.76	-37.68
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C1CCCC1	REAL300020298913	0	54	-1.0	-40.84	396.39	8.64	-32.20
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C1CCCC1	REAL300020298913	1	54	-1.0	-40.84	396.32	8.63	-32.21
CCOC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020298914	0	52	-1.0	-46.33	400.35	7.15	-39.18
CCOC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020298914	1	52	-1.0	-46.34	400.40	7.16	-39.18
CC(C)NC(=O)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298915	0	50	-1.0	-40.94	396.96	3.50	-37.44
CC(C)NC(=O)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298915	1	50	-1.0	-40.94	397.02	3.52	-37.42
CC(C)NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298916	0	47	-1.0	-47.16	366.82	2.95	-44.21
CC(C)NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298916	1	47	-1.0	-47.19	366.87	2.97	-44.22
COC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CC2)C=C1	REAL300020298917	0	52	-1.0	-48.97	397.92	5.64	-43.33
COC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CC2)C=C1	REAL300020298917	1	52	-1.0	-48.95	397.97	5.66	-43.29
FC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2CC2)C=C1	REAL300020298918	0	51	-1.0	-40.07	388.81	9.11	-30.96
FC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2CC2)C=C1	REAL300020298918	1	51	-1.0	-40.06	388.87	9.13	-30.93
FC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CC2)C=C1	REAL300020298919	0	48	-1.0	-42.81	361.74	7.02	-35.79
FC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CC2)C=C1	REAL300020298919	1	48	-1.0	-42.83	361.64	7.02	-35.81
OC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=C1	REAL300020298920	0	51	-1.0	-43.34	395.32	3.69	-39.65
OC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=C1	REAL300020298920	1	51	-1.0	-43.35	395.39	3.72	-39.63
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298921	0	50	-1.0	-39.86	376.85	7.63	-32.23
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298921	1	50	-1.0	-39.87	376.91	7.64	-32.23
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298922	0	47	-1.0	-44.05	368.19	7.01	-37.04
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298922	1	47	-1.0	-43.94	368.00	7.00	-36.94
CC(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298923	0	51	-1.0	-47.02	382.91	5.28	-41.74
CC(=O)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298923	1	51	-1.0	-46.97	382.97	5.30	-41.67
CC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298924	0	48	-1.0	-49.49	353.55	3.89	-45.60
CC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298924	1	48	-1.0	-49.47	353.61	3.91	-45.56
C1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298925	0	51	-1.0	-46.31	391.63	8.47	-37.84
C1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298925	1	51	-1.0	-46.31	391.69	8.50	-37.81
C1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298926	0	48	-1.0	-42.29	354.45	5.92	-36.37
C1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298926	1	48	-1.0	-42.33	354.41	5.90	-36.43
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298927	0	52	-1.0	-47.20	399.89	6.92	-40.28
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298927	1	52	-1.0	-47.24	399.94	6.96	-40.28
C1=CC2=C(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)S1	REAL300020298928	0	45	-1.0	-41.77	362.92	6.48	-35.29
C1=CC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)S1	REAL300020298928	1	45	-1.0	-41.76	362.98	6.49	-35.27
C1=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)S1	REAL300020298929	0	42	-1.0	-48.79	331.10	5.15	-43.64
C1=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)S1	REAL300020298929	1	42	-1.0	-48.81	331.05	5.13	-43.68
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298930	0	47	-1.0	-44.05	376.27	7.10	-36.95
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298930	1	47	-1.0	-44.17	375.74	7.15	-37.02
C1=CC=C(CC2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298931	0	54	-1.0	-45.56	407.79	7.87	-37.69
C1=CC=C(CC2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298931	1	54	-1.0	-45.57	407.85	7.89	-37.68
C1=CC=C(CC2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298932	0	51	-1.0	-42.07	395.15	7.41	-34.66
C1=CC=C(CC2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298932	1	51	-1.0	-42.10	395.20	7.44	-34.66
CS(=O)(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298933	0	49	-1.0	-53.90	372.69	1.55	-52.35
CS(=O)(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298933	1	49	-1.0	-53.86	372.75	1.56	-52.30
C(CC1=NN=C(N2CCC(C3CC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298934	0	48	-1.0	-39.92	357.48	6.22	-33.70
C(CC1=NN=C(N2CCC(C3CC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298934	1	48	-1.0	-39.94	357.54	6.24	-33.70
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CC3)C2)N1C1CCOC1	REAL300020298935	0	45	-1.0	-45.46	336.95	6.17	-39.29
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CC3)C2)N1C1CCOC1	REAL300020298935	1	45	-1.0	-45.43	337.00	6.17	-39.26
C1=CC(C2=NN=C(N3CCC(C4CC4)C3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020298936	0	52	-1.0	-40.18	402.73	9.84	-30.34
C1=CC(C2=NN=C(N3CCC(C4CC4)C3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020298936	1	52	-1.0	-40.18	402.77	9.83	-30.35
C(CC1=NN=C(N2CCC(C3CCOC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298937	0	52	-1.0	-41.59	381.58	4.54	-37.05
C(CC1=NN=C(N2CCC(C3CCOC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298937	1	52	-1.0	-41.60	381.64	4.55	-37.05
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCOC3)C2)N1C1CCOC1	REAL300020298938	0	49	-1.0	-49.31	360.77	4.68	-44.63
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCOC3)C2)N1C1CCOC1	REAL300020298938	1	49	-1.0	-49.27	360.82	4.68	-44.59
CCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298939	0	50	-1.0	-40.91	368.10	6.72	-34.19
CCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298939	1	50	-1.0	-40.94	368.15	6.73	-34.21
CCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298940	0	47	-1.0	-45.95	342.54	5.74	-40.21
CCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298940	1	47	-1.0	-45.97	342.60	5.74	-40.23
CCC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020298941	0	54	-1.0	-40.64	409.95	8.65	-31.99
CCC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020298941	1	54	-1.0	-40.70	409.98	8.64	-32.06
C(CC1=NN=C(N2CCC(C3CCOCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298942	0	55	-1.0	-44.69	401.09	6.37	-38.32
C(CC1=NN=C(N2CCC(C3CCOCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298942	1	55	-1.0	-44.66	401.15	6.38	-38.28
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCOCC3)C2)N1C1CCOC1	REAL300020298943	0	52	-1.0	-47.93	379.68	4.97	-42.96
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCOCC3)C2)N1C1CCOC1	REAL300020298943	1	52	-1.0	-47.88	379.72	4.99	-42.89
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298944	0	44	-1.0	-44.92	368.93	7.03	-37.89
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298944	1	44	-1.0	-44.90	368.96	7.05	-37.85
CCC1=CN=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)S1	REAL300020298945	0	49	-1.0	-40.30	399.96	6.86	-33.44
CCC1=CN=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)S1	REAL300020298945	1	49	-1.0	-40.33	400.02	6.87	-33.46
CCC1=CN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)S1	REAL300020298946	0	46	-1.0	-44.83	375.86	5.42	-39.41
CCC1=CN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)S1	REAL300020298946	1	46	-1.0	-44.81	375.90	5.43	-39.38
NC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298947	0	51	-1.0	-44.93	383.39	2.28	-42.65
NC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298947	1	51	-1.0	-44.98	383.44	2.31	-42.67
NC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298948	0	48	-1.0	-45.35	368.20	1.93	-43.42
NC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298948	1	48	-1.0	-45.35	368.26	1.93	-43.42
CC(C)C1=NC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020298949	0	54	-1.0	-41.55	415.79	5.71	-35.84
CC(C)C1=NC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020298949	1	54	-1.0	-41.55	415.86	5.73	-35.82
CC(C)C1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020298950	0	51	-1.0	-44.75	399.41	5.60	-39.15
CC(C)C1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020298950	1	51	-1.0	-44.83	399.47	5.62	-39.21
CN(C)C(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298951	0	54	-1.0	-50.15	400.57	5.14	-45.01
CN(C)C(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298951	1	54	-1.0	-50.16	400.64	5.14	-45.02
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298952	0	44	-1.0	-42.49	365.10	6.50	-35.99
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298952	1	44	-1.0	-42.50	365.15	6.53	-35.97
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(C)O1	REAL300020298953	0	52	-1.0	-44.00	398.87	3.59	-40.41
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(C)O1	REAL300020298953	1	52	-1.0	-44.00	398.93	3.60	-40.40
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C)O1	REAL300020298954	0	49	-1.0	-44.66	372.95	2.87	-41.79
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C)O1	REAL300020298954	1	49	-1.0	-44.70	372.99	2.87	-41.83
CN(CCC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298955	0	48	-1.0	-46.14	374.00	3.79	-42.35
CN(CCC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298955	1	48	-1.0	-46.11	374.05	3.80	-42.31
CN(CCC1=CN=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298956	0	45	-1.0	-45.84	359.02	4.25	-41.59
CN(CCC1=CN=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298956	1	45	-1.0	-45.86	359.07	4.28	-41.58
CC1(C(N)=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298957	0	48	-1.0	-53.48	362.34	1.21	-52.27
CC1(C(N)=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298957	1	48	-1.0	-53.47	362.39	1.22	-52.25
CC1(C(N)=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298958	0	45	-1.0	-57.97	339.93	1.21	-56.76
CC1(C(N)=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298958	1	45	-1.0	-57.96	339.98	1.22	-56.74
COC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298959	0	50	-1.0	-44.47	384.71	6.16	-38.31
COC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298959	1	50	-1.0	-44.44	384.76	6.17	-38.27
COC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298960	0	47	-1.0	-53.07	359.01	5.19	-47.88
COC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298960	1	47	-1.0	-53.09	359.07	5.20	-47.89
COCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298961	0	54	-1.0	-43.46	398.06	5.37	-38.09
COCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298961	1	54	-1.0	-43.48	398.12	5.38	-38.10
COCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298962	0	51	-1.0	-41.68	373.76	4.57	-37.11
COCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298962	1	51	-1.0	-41.64	373.82	4.58	-37.06
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(C2CC2)O1	REAL300020298963	0	52	-1.0	-44.73	392.41	6.03	-38.70
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(C2CC2)O1	REAL300020298963	1	52	-1.0	-44.77	392.47	6.04	-38.73
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C2CC2)O1	REAL300020298964	0	49	-1.0	-45.09	371.60	4.90	-40.19
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C2CC2)O1	REAL300020298964	1	49	-1.0	-45.03	371.67	4.91	-40.12
CC1=CC=C(F)C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298965	0	50	-1.0	-41.69	386.81	7.12	-34.57
CC1=CC=C(F)C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298965	1	50	-1.0	-41.71	386.86	7.14	-34.57
CC1=CC=C(F)C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020298966	0	47	-1.0	-47.14	375.11	7.24	-39.90
CC1=CC=C(F)C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020298966	1	47	-1.0	-47.09	375.05	7.23	-39.86
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@H](C)O1	REAL300020298967	0	48	-1.0	-41.69	365.04	5.10	-36.59
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)O1	REAL300020298967	1	48	-1.0	-41.70	365.10	5.12	-36.58
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H](C)O1	REAL300020298968	0	45	-1.0	-45.73	344.31	3.89	-41.84
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)O1	REAL300020298968	1	45	-1.0	-45.69	344.36	3.90	-41.79
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C[C@H](C)O1	REAL300020298969	0	52	-1.0	-41.16	408.85	6.50	-34.66
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C[C@H](C)O1	REAL300020298969	1	52	-1.0	-41.15	408.40	6.49	-34.66
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298970	0	53	-1.0	-46.69	403.13	6.45	-40.24
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298970	1	53	-1.0	-46.71	403.20	6.47	-40.24
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298971	0	50	-1.0	-48.37	379.40	5.92	-42.45
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298971	1	50	-1.0	-48.35	379.46	5.92	-42.43
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C)O1	REAL300020298972	0	51	-1.0	-41.74	380.47	4.99	-36.75
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C)O1	REAL300020298972	1	51	-1.0	-41.73	380.53	5.01	-36.72
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C)O1	REAL300020298973	0	48	-1.0	-45.74	360.31	4.73	-41.01
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C)O1	REAL300020298973	1	48	-1.0	-45.72	360.36	4.74	-40.98
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298974	0	50	-1.0	-40.87	384.11	7.28	-33.59
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298974	1	50	-1.0	-40.85	384.17	7.29	-33.56
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020298975	0	47	-1.0	-45.13	366.47	6.94	-38.19
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020298975	1	47	-1.0	-45.06	366.40	6.92	-38.14
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C2=CC=CC=C2)O1	REAL300020298976	0	52	-1.0	-45.31	401.37	6.65	-38.66
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C2=CC=CC=C2)O1	REAL300020298976	1	52	-1.0	-45.32	401.42	6.65	-38.67
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(C)O1	REAL300020298977	0	51	-1.0	-44.54	386.08	5.11	-39.43
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(C)O1	REAL300020298977	1	51	-1.0	-44.52	386.13	5.13	-39.39
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C)O1	REAL300020298978	0	48	-1.0	-41.87	366.93	5.07	-36.80
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C)O1	REAL300020298978	1	48	-1.0	-41.84	366.99	5.10	-36.74
CN(CCC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298979	0	43	-1.0	-43.22	343.88	4.80	-38.42
CN(CCC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298979	1	43	-1.0	-43.16	343.98	4.81	-38.35
CN(CCC(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298980	0	40	-1.0	-46.37	326.88	4.65	-41.72
CN(CCC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298980	1	40	-1.0	-46.35	326.94	4.65	-41.70
CCC1=NC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=CS1	REAL300020298981	0	49	-1.0	-42.22	397.86	6.40	-35.82
CCC1=NC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=CS1	REAL300020298981	1	49	-1.0	-42.19	397.91	6.41	-35.78
CCC1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=CS1	REAL300020298982	0	46	-1.0	-47.10	375.10	4.97	-42.13
CCC1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=CS1	REAL300020298982	1	46	-1.0	-47.11	375.15	5.00	-42.11
CN(CC1=CSC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020298983	0	43	-1.0	-42.44	355.80	4.98	-37.46
CN(CC1=CSC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020298983	1	43	-1.0	-42.44	355.85	4.99	-37.45
CN(CC1=CSC=N1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020298984	0	40	-1.0	-47.30	331.72	3.53	-43.77
CN(CC1=CSC=N1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020298984	1	40	-1.0	-47.26	331.67	3.51	-43.75
CC(C)(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298985	0	53	-1.0	-41.87	381.02	6.34	-35.53
CC(C)(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298985	1	53	-1.0	-41.84	381.07	6.35	-35.49
CC(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020298986	0	50	-1.0	-48.83	360.67	5.81	-43.02
CC(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020298986	1	50	-1.0	-48.85	360.71	5.83	-43.02
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020298987	0	53	-1.0	-42.05	369.01	6.04	-36.01
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020298987	1	53	-1.0	-42.09	369.08	6.05	-36.04
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020298988	0	50	-1.0	-45.86	360.64	6.74	-39.12
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020298988	1	50	-1.0	-45.89	360.69	6.75	-39.14
CC1OCCC12CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CCO2	REAL300020298989	0	53	-1.0	-42.04	398.21	4.34	-37.70
CC1OCCC12CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CCO2	REAL300020298989	1	53	-1.0	-42.01	398.26	4.36	-37.65
CC1OCCC12CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CCO2	REAL300020298990	0	50	-1.0	-45.82	373.41	3.38	-42.44
CC1OCCC12CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CCO2	REAL300020298990	1	50	-1.0	-45.82	373.46	3.39	-42.43
CC1OCCC12CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC(C)O2	REAL300020298991	0	53	-1.0	-45.30	392.93	4.36	-40.94
CC1OCCC12CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC(C)O2	REAL300020298991	1	53	-1.0	-45.30	392.98	4.38	-40.92
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC12CCCCC2	REAL300020298992	0	57	-1.0	-43.13	389.51	7.76	-35.37
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC12CCCCC2	REAL300020298992	1	57	-1.0	-43.17	389.57	7.75	-35.42
CCC1(CC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020298993	0	54	-1.0	-40.63	399.97	7.58	-33.05
CCC1(CC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020298993	1	54	-1.0	-40.64	400.03	7.60	-33.04
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020298994	0	51	-1.0	-45.14	379.87	7.38	-37.76
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020298994	1	51	-1.0	-45.13	379.92	7.39	-37.74
C(C1=N[N-]N=N1)C1=NN=C(N2CCSC3(CCOCC3)C2)N1C1CCOC1	REAL300020298995	0	50	-1.0	-41.36	372.23	5.06	-36.30
C(C1=NN=N[N-]1)C1=NN=C(N2CCSC3(CCOCC3)C2)N1C1CCOC1	REAL300020298995	1	50	-1.0	-41.37	372.29	5.08	-36.29
C(CC1=NN=C(N2CCCC3(CC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020298996	0	48	-1.0	-40.49	369.11	7.74	-32.75
C(CC1=NN=C(N2CCCC3(CC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020298996	1	48	-1.0	-40.50	369.17	7.76	-32.74
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CC3)C2)N1C1CCOC1	REAL300020298997	0	45	-1.0	-45.01	345.03	5.86	-39.15
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CC3)C2)N1C1CCOC1	REAL300020298997	1	45	-1.0	-45.06	345.08	5.87	-39.19
C1=CC(C2=NN=C(N3CCCC4(CC4)C3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020298998	0	52	-1.0	-40.91	396.21	9.43	-31.48
C1=CC(C2=NN=C(N3CCCC4(CC4)C3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020298998	1	52	-1.0	-40.92	396.23	9.41	-31.51
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020298999	0	56	-1.0	-43.06	394.74	7.14	-35.92
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020298999	1	56	-1.0	-43.07	394.81	7.15	-35.92
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299000	0	53	-1.0	-46.69	375.76	6.88	-39.81
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299000	1	53	-1.0	-46.72	375.86	6.90	-39.82
CC(C)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299001	0	56	-1.0	-42.89	394.43	7.04	-35.85
CC(C)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299001	1	56	-1.0	-42.93	394.49	7.05	-35.88
CC(C)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299002	0	53	-1.0	-40.63	366.44	6.21	-34.42
CC(C)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299002	1	53	-1.0	-40.64	366.50	6.21	-34.43
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299003	0	53	-1.0	-43.43	387.37	7.70	-35.73
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299003	1	53	-1.0	-43.47	387.43	7.72	-35.75
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299004	0	50	-1.0	-44.88	364.33	6.20	-38.68
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299004	1	50	-1.0	-44.88	364.37	6.20	-38.68
COCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299005	0	55	-1.0	-46.03	419.20	4.42	-41.61
COCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299005	1	55	-1.0	-46.04	419.26	4.44	-41.60
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299006	0	52	-1.0	-47.34	394.90	3.54	-43.80
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299006	1	52	-1.0	-47.35	394.97	3.54	-43.81
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299007	0	48	-1.0	-43.45	362.43	4.71	-38.74
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299007	1	48	-1.0	-43.45	362.49	4.73	-38.72
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299008	0	45	-1.0	-44.30	340.01	3.24	-41.06
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299008	1	45	-1.0	-44.31	340.06	3.26	-41.05
COCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299009	0	52	-1.0	-42.91	402.62	7.07	-35.84
COCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299009	1	52	-1.0	-42.94	402.67	7.07	-35.87
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299010	0	53	-1.0	-40.91	377.77	6.72	-34.19
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299010	1	53	-1.0	-40.92	377.84	6.74	-34.18
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299011	0	50	-1.0	-41.28	360.28	7.02	-34.26
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299011	1	50	-1.0	-41.25	360.36	7.04	-34.21
COC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299012	0	53	-1.0	-45.28	404.94	7.32	-37.96
COC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299012	1	53	-1.0	-45.29	404.99	7.34	-37.95
CC1(C2=CC=CC=C2)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299013	0	52	-1.0	-48.42	393.11	7.10	-41.32
CC1(C2=CC=CC=C2)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299013	1	52	-1.0	-48.42	393.16	7.11	-41.31
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299014	0	48	-1.0	-44.41	364.71	6.32	-38.09
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299014	1	48	-1.0	-44.42	364.77	6.34	-38.08
C=CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299015	0	45	-1.0	-41.56	343.94	6.42	-35.14
C=CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299015	1	45	-1.0	-41.57	343.89	6.39	-35.18
C=CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020299016	0	52	-1.0	-41.19	408.49	8.86	-32.33
C=CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020299016	1	52	-1.0	-41.16	408.48	8.85	-32.31
CCCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299017	0	54	-1.0	-49.51	411.99	5.16	-44.35
CCCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299017	1	54	-1.0	-49.54	412.05	5.18	-44.36
CC(C)C(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299018	0	54	-1.0	-49.01	406.57	4.11	-44.90
CC(C)C(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299018	1	54	-1.0	-49.02	406.64	4.12	-44.90
COCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299019	0	52	-1.0	-53.02	403.22	3.76	-49.26
COCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299019	1	52	-1.0	-53.02	403.27	3.78	-49.24
CC(=O)NCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299020	0	54	-1.0	-48.72	417.22	5.47	-43.25
CC(=O)NCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299020	1	54	-1.0	-48.76	417.28	5.50	-43.26
CC(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299021	0	51	-1.0	-51.29	393.21	3.58	-47.71
CC(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299021	1	51	-1.0	-51.31	393.27	3.59	-47.72
CC(=O)NCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299022	0	54	-1.0	-50.31	411.72	4.24	-46.07
CC(=O)NCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299022	1	54	-1.0	-50.32	411.78	4.26	-46.06
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299023	0	51	-1.0	-46.65	389.76	4.30	-42.35
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299023	1	51	-1.0	-46.63	389.81	4.32	-42.31
CCOCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299024	0	56	-1.0	-45.70	422.25	3.63	-42.07
CCOCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299024	1	56	-1.0	-45.73	422.31	3.65	-42.08
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299024	1	57	0.0	-73.86	422.68	5.83	-68.03
CCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299025	0	53	-1.0	-46.41	396.62	2.64	-43.77
CCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299025	1	53	-1.0	-46.39	396.66	2.66	-43.73
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299025	1	54	0.0	-65.21	394.44	5.06	-60.15
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020299026	0	53	-1.0	-46.72	398.44	6.96	-39.76
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020299026	1	53	-1.0	-46.75	398.49	6.97	-39.78
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299027	0	43	-1.0	-41.03	325.75	4.42	-36.61
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299027	1	43	-1.0	-41.02	325.85	4.43	-36.59
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299028	0	47	-1.0	-41.49	359.69	7.73	-33.76
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299028	1	47	-1.0	-41.53	359.40	7.66	-33.87
C(CC1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299029	0	57	0.0	-72.35	410.23	7.28	-65.07
C(CC1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299029	1	57	0.0	-72.35	410.29	7.31	-65.04
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1C1CCOC1	REAL300020299030	0	54	0.0	-67.96	383.08	6.60	-61.36
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCC3)CC2)N1C1CCOC1	REAL300020299030	1	54	0.0	-67.98	383.15	6.60	-61.38
C(CC1=NN=C(N2CCN(C3CC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299031	0	50	-1.0	-43.53	373.79	4.10	-39.43
C(CC1=NN=C(N2CCN(C3CC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299031	1	50	-1.0	-43.47	373.83	4.12	-39.35
C(CC1=NN=C(N2CC[NH+](C3CC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299031	1	51	0.0	-63.02	382.42	7.33	-55.69
C(C1=N[N-]N=N1)C1=NN=C(N2CCN(C3CC3)CC2)N1C1CCOC1	REAL300020299032	0	47	-1.0	-44.39	346.52	3.88	-40.51
C(C1=NN=N[N-]1)C1=NN=C(N2CCN(C3CC3)CC2)N1C1CCOC1	REAL300020299032	1	47	-1.0	-44.39	346.71	3.89	-40.50
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CC3)CC2)N1C1CCOC1	REAL300020299032	1	48	0.0	-61.58	352.42	5.69	-55.89
CN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299033	0	48	-1.0	-41.86	368.34	5.39	-36.47
CN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299033	1	48	-1.0	-41.83	368.40	5.40	-36.43
CN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299034	0	45	-1.0	-46.25	344.02	3.86	-42.39
CN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299034	1	45	-1.0	-46.26	344.06	3.88	-42.38
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299035	0	52	-1.0	-42.09	403.13	6.99	-35.10
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299035	1	52	-1.0	-42.12	403.18	6.97	-35.15
CC(C)(C)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299036	0	54	-1.0	-45.92	388.97	4.76	-41.16
CC(C)(C)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299036	1	54	-1.0	-45.92	389.02	4.78	-41.14
FC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299037	0	44	-1.0	-44.89	343.97	5.43	-39.46
FC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299037	1	44	-1.0	-44.87	344.03	5.46	-39.41
FC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299038	0	41	-1.0	-41.63	315.10	4.57	-37.06
FC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299038	1	41	-1.0	-41.64	315.15	4.58	-37.06
COCC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299039	0	52	-1.0	-53.30	400.56	4.31	-48.99
COCC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299039	1	52	-1.0	-53.25	400.62	4.33	-48.92
COCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299040	0	49	-1.0	-49.10	372.25	3.45	-45.65
COCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299040	1	49	-1.0	-49.08	372.32	3.46	-45.62
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020299041	0	50	-1.0	-40.79	383.34	7.24	-33.55
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020299041	1	50	-1.0	-40.82	383.41	7.25	-33.57
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020299042	0	47	-1.0	-45.21	366.42	6.92	-38.29
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020299042	1	47	-1.0	-45.19	366.35	6.91	-38.28
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299043	0	47	-1.0	-41.40	374.70	6.70	-34.70
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299043	1	47	-1.0	-41.39	374.77	6.70	-34.69
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299044	0	44	-1.0	-45.64	359.04	6.60	-39.04
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299044	1	44	-1.0	-45.61	359.07	6.61	-39.00
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299045	0	48	-1.0	-44.80	382.79	6.96	-37.84
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299045	1	48	-1.0	-44.78	382.85	6.97	-37.81
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299046	0	45	-1.0	-46.97	367.22	6.87	-40.10
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299046	1	45	-1.0	-46.94	367.17	6.86	-40.08
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299047	0	48	-1.0	-42.97	387.51	7.03	-35.94
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299047	1	48	-1.0	-42.95	387.70	7.05	-35.90
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299048	0	45	-1.0	-46.38	365.90	6.66	-39.72
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299048	1	45	-1.0	-46.39	365.82	6.64	-39.75
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C)C1	REAL300020299049	0	56	-1.0	-40.44	397.88	7.13	-33.31
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C)C1	REAL300020299049	1	56	-1.0	-40.44	397.94	7.14	-33.30
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C)C1	REAL300020299050	0	53	-1.0	-43.50	384.59	6.65	-36.85
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C)C1	REAL300020299050	1	53	-1.0	-43.45	384.71	6.67	-36.78
CSC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299051	0	48	-1.0	-48.20	383.84	7.20	-41.00
CSC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299051	1	48	-1.0	-48.15	383.80	7.18	-40.97
CC(C)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299052	0	56	-1.0	-41.15	408.59	7.50	-33.65
CC(C)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299052	1	56	-1.0	-41.15	408.64	7.52	-33.63
CC(C)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299053	0	53	-1.0	-45.61	389.05	7.17	-38.44
CC(C)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299053	1	53	-1.0	-45.62	389.24	7.21	-38.41
CC(C)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020299054	0	54	-1.0	-43.34	405.83	5.32	-38.02
CC(C)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020299054	1	54	-1.0	-43.37	405.89	5.34	-38.03
CC(C)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020299055	0	51	-1.0	-46.12	385.05	5.05	-41.07
CC(C)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020299055	1	51	-1.0	-46.12	385.10	5.06	-41.06
C1=CC=C(OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)N=C1	REAL300020299056	0	51	-1.0	-42.57	391.88	4.28	-38.29
C1=CC=C(OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)N=C1	REAL300020299056	1	51	-1.0	-42.56	391.82	4.27	-38.29
C1=CC=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)N=C1	REAL300020299057	0	48	-1.0	-50.23	375.01	3.88	-46.35
C1=CC=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)N=C1	REAL300020299057	1	48	-1.0	-50.24	374.93	3.87	-46.37
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=CS1	REAL300020299058	0	48	-1.0	-45.03	375.31	6.76	-38.27
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=CS1	REAL300020299058	1	48	-1.0	-45.04	375.38	6.77	-38.27
FC1=CC=CC=C1CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020299059	0	51	-1.0	-41.15	398.20	8.25	-32.90
FC1=CC=CC=C1CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020299059	1	51	-1.0	-41.13	398.26	8.26	-32.87
FC1=CC=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020299060	0	48	-1.0	-53.30	379.62	6.79	-46.51
FC1=CC=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020299060	1	48	-1.0	-53.32	379.57	6.76	-46.56
CCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299061	0	46	-1.0	-41.25	342.28	4.33	-36.92
CCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299061	1	46	-1.0	-41.28	342.38	4.35	-36.93
CCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299062	0	43	-1.0	-47.80	320.69	4.35	-43.45
CCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299062	1	43	-1.0	-47.78	320.64	4.36	-43.42
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299063	0	50	-1.0	-41.27	381.55	7.63	-33.64
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299063	1	50	-1.0	-41.20	381.58	7.62	-33.58
O=C(NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1)C1CC1	REAL300020299064	0	52	-1.0	-46.37	404.44	4.46	-41.91
O=C(NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1)C1CC1	REAL300020299064	1	52	-1.0	-46.38	404.50	4.46	-41.92
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1OC	REAL300020299065	0	49	-1.0	-45.31	379.64	3.61	-41.70
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1OC	REAL300020299065	1	49	-1.0	-45.33	379.70	3.63	-41.70
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1OC	REAL300020299066	0	46	-1.0	-46.65	355.89	3.27	-43.38
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1OC	REAL300020299066	1	46	-1.0	-46.67	355.98	3.30	-43.37
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299067	0	59	0.0	-70.21	426.01	7.58	-62.63
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299067	1	59	0.0	-69.72	426.17	7.58	-62.14
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299067	1	59	0.0	-70.25	426.07	7.60	-62.65
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299067	1	59	0.0	-69.69	426.22	7.59	-62.10
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299068	0	56	0.0	-69.25	401.84	6.99	-62.26
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299068	1	56	0.0	-71.19	404.43	7.17	-64.02
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299068	1	56	0.0	-69.27	401.88	6.99	-62.28
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299068	1	56	0.0	-71.21	404.49	7.19	-64.02
COCCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299069	0	55	-1.0	-49.79	408.32	4.03	-45.76
COCCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299069	1	55	-1.0	-49.80	408.38	4.05	-45.75
COCCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299070	0	52	-1.0	-46.39	389.98	2.83	-43.56
COCCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299070	1	52	-1.0	-46.44	390.04	2.86	-43.58
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(C2)CCCCCC3)N1C1CCOC1	REAL300020299071	0	57	-1.0	-46.70	394.16	8.03	-38.67
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(C2)CCCCCC3)N1C1CCOC1	REAL300020299071	1	57	-1.0	-46.74	394.23	8.05	-38.69
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299072	0	54	-1.0	-40.86	398.06	8.43	-32.43
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299072	1	54	-1.0	-40.90	398.12	8.43	-32.47
CN1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C1=O	REAL300020299073	0	52	-1.0	-55.34	391.50	5.99	-49.35
CN1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C1=O	REAL300020299073	1	52	-1.0	-55.37	391.56	6.02	-49.35
CN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299074	0	53	-1.0	-42.06	393.88	4.87	-37.19
CN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299074	1	53	-1.0	-42.10	393.92	4.87	-37.23
CN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299075	0	50	-1.0	-45.09	376.81	4.71	-40.38
CN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299075	1	50	-1.0	-45.14	376.87	4.71	-40.43
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(C2)CCCCCC3)N1C1CCOC1	REAL300020299076	0	55	-1.0	-42.93	377.82	6.14	-36.79
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(C2)CCCCCC3)N1C1CCOC1	REAL300020299076	1	55	-1.0	-42.92	377.87	6.14	-36.78
CCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299077	0	54	-1.0	-51.37	407.58	4.06	-47.31
CCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299077	1	54	-1.0	-51.44	407.65	4.07	-47.37
CNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299078	0	51	-1.0	-52.24	389.55	4.18	-48.06
CNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299078	1	51	-1.0	-52.26	389.61	4.19	-48.07
CNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299079	0	48	-1.0	-51.56	369.76	3.48	-48.08
CNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299079	1	48	-1.0	-51.53	369.82	3.50	-48.03
CC(=O)NCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299080	0	52	-1.0	-46.87	396.37	1.03	-45.84
CC(=O)NCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299080	1	52	-1.0	-46.87	396.43	1.04	-45.83
CC(=O)NCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299081	0	49	-1.0	-51.33	376.58	0.58	-50.75
CC(=O)NCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299081	1	49	-1.0	-51.33	376.64	0.58	-50.75
O=C1CC2(CN1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020299082	0	52	-1.0	-45.54	387.78	3.88	-41.66
O=C1CC2(CN1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020299082	1	52	-1.0	-45.57	387.83	3.89	-41.68
O=C1CC2(CN1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020299083	0	49	-1.0	-50.04	358.94	2.28	-47.76
O=C1CC2(CN1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020299083	1	49	-1.0	-50.06	359.00	2.30	-47.76
CNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299084	0	50	-1.0	-51.75	381.70	3.04	-48.71
CNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299084	1	50	-1.0	-51.73	381.76	3.05	-48.68
CNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299085	0	47	-1.0	-47.00	353.34	2.18	-44.82
CNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299085	1	47	-1.0	-46.97	353.40	2.19	-44.78
CNC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299086	0	54	-1.0	-51.32	408.35	4.07	-47.25
CNC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299086	1	54	-1.0	-51.35	408.40	4.08	-47.27
CNC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299087	0	51	-1.0	-51.22	386.69	4.12	-47.10
CNC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299087	1	51	-1.0	-51.21	386.74	4.14	-47.07
CNC(=O)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299088	0	50	-1.0	-45.58	385.36	2.76	-42.82
CNC(=O)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299088	1	50	-1.0	-45.57	385.47	2.76	-42.81
CNC(=O)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299089	0	47	-1.0	-50.51	368.36	2.60	-47.91
CNC(=O)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299089	1	47	-1.0	-50.49	368.42	2.61	-47.88
CN(CCCNC(=O)C1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299090	0	54	-1.0	-48.27	417.96	5.30	-42.97
CN(CCCNC(=O)C1CCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299090	1	54	-1.0	-48.24	418.01	5.34	-42.90
O=C(NC1CC1)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299091	0	51	-1.0	-48.15	391.06	2.41	-45.74
O=C(NC1CC1)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299091	1	51	-1.0	-48.12	391.11	2.42	-45.70
CNC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299092	0	51	-1.0	-53.87	384.28	2.74	-51.13
CNC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299092	1	51	-1.0	-53.84	384.33	2.76	-51.08
CNC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299093	0	48	-1.0	-61.51	361.72	2.78	-58.73
CNC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299093	1	48	-1.0	-61.52	361.77	2.78	-58.74
CNC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299094	0	49	-1.0	-48.14	382.50	1.99	-46.15
CNC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299094	1	49	-1.0	-48.20	382.56	2.01	-46.19
CNC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299095	0	46	-1.0	-49.15	364.44	2.03	-47.12
CNC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299095	1	46	-1.0	-49.14	364.51	2.04	-47.10
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299096	0	50	-1.0	-51.09	381.58	2.86	-48.23
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299096	1	50	-1.0	-51.02	381.65	2.87	-48.15
CNC(=O)C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299097	0	47	-1.0	-53.59	365.24	2.72	-50.87
CNC(=O)C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299097	1	47	-1.0	-53.64	365.30	2.73	-50.91
O=C1NC2(CO1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020299098	0	50	-1.0	-52.18	384.94	2.73	-49.45
O=C1NC2(CO1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020299098	1	50	-1.0	-52.14	385.00	2.74	-49.40
O=C1NC2(CO1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020299099	0	47	-1.0	-50.19	352.99	1.74	-48.45
O=C1NC2(CO1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020299099	1	47	-1.0	-50.17	353.05	1.74	-48.43
O=C1NCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCN12	REAL300020299100	0	48	-1.0	-47.19	365.36	1.82	-45.37
O=C1NCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCN12	REAL300020299100	1	48	-1.0	-47.22	365.42	1.84	-45.38
O=C1NCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN12	REAL300020299101	0	45	-1.0	-46.47	347.69	2.21	-44.26
O=C1NCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN12	REAL300020299101	1	45	-1.0	-46.49	347.75	2.22	-44.27
O=C1NCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN2C1=O	REAL300020299102	0	47	-1.0	-54.49	362.10	1.03	-53.46
O=C1NCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN2C1=O	REAL300020299102	1	47	-1.0	-54.50	362.15	1.04	-53.46
CC(C)C(=O)NCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299103	0	53	-1.0	-44.19	404.90	3.49	-40.70
CC(C)C(=O)NCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299103	1	53	-1.0	-44.21	405.00	3.49	-40.72
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299104	0	50	-1.0	-48.51	387.91	3.32	-45.19
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299104	1	50	-1.0	-48.58	387.96	3.34	-45.24
O=C1N[C@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]2CO1	REAL300020299105	0	50	-1.0	-50.77	381.44	2.46	-48.31
O=C1N[C@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]2CO1	REAL300020299105	1	50	-1.0	-50.73	381.50	2.48	-48.25
O=C1N[C@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]2CO1	REAL300020299106	0	47	-1.0	-45.81	363.26	2.82	-42.99
O=C1N[C@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]2CO1	REAL300020299106	1	47	-1.0	-45.81	363.31	2.87	-42.94
FC(F)(F)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299107	0	47	-1.0	-44.28	369.35	6.13	-38.15
FC(F)(F)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299107	1	47	-1.0	-44.26	369.41	6.15	-38.11
FC(F)(F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299108	0	44	-1.0	-39.86	341.48	5.38	-34.48
FC(F)(F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299108	1	44	-1.0	-39.84	341.54	5.38	-34.46
FC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299109	0	41	-1.0	-43.35	320.49	4.27	-39.08
FC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299109	1	41	-1.0	-43.32	320.55	4.28	-39.04
FC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299110	0	38	-1.0	-48.35	302.03	3.75	-44.60
FC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299110	1	38	-1.0	-48.37	302.08	3.75	-44.62
FC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299111	0	45	-1.0	-43.40	357.47	7.77	-35.63
FC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299111	1	45	-1.0	-43.38	357.50	7.76	-35.62
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299112	0	56	0.0	-76.61	407.72	5.54	-71.07
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299112	1	56	0.0	-76.60	407.78	5.56	-71.04
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299113	0	53	0.0	-74.07	382.37	4.61	-69.46
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299113	1	53	0.0	-74.04	382.43	4.62	-69.42
CCC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299114	0	51	-1.0	-50.68	388.42	4.93	-45.75
CCC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299114	1	51	-1.0	-50.67	388.47	4.94	-45.73
CCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299115	0	48	-1.0	-46.30	359.53	4.07	-42.23
CCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299115	1	48	-1.0	-46.32	359.59	4.07	-42.25
CN(CCN1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299116	0	53	-1.0	-43.69	392.29	2.10	-41.59
CN(CCN1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299116	1	53	-1.0	-43.72	392.35	2.11	-41.61
CN(CCN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299117	0	50	-1.0	-46.09	375.58	1.98	-44.11
CN(CCN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299117	1	50	-1.0	-46.09	375.63	1.99	-44.10
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299118	0	50	-1.0	-43.47	366.88	6.22	-37.25
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299118	1	50	-1.0	-43.44	366.95	6.23	-37.21
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299119	0	47	-1.0	-46.45	346.53	5.89	-40.56
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299119	1	47	-1.0	-46.45	346.63	5.90	-40.55
CC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020299120	0	54	-1.0	-40.76	396.91	9.54	-31.22
CC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020299120	1	54	-1.0	-40.78	397.04	9.53	-31.25
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1=CC=CC=C1	REAL300020299121	0	53	-1.0	-42.91	398.48	8.15	-34.76
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1=CC=CC=C1	REAL300020299121	1	53	-1.0	-42.96	398.54	8.16	-34.80
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1=CC=CC=C1	REAL300020299122	0	50	-1.0	-45.88	381.25	8.08	-37.80
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1=CC=CC=C1	REAL300020299122	1	50	-1.0	-45.90	381.30	8.09	-37.81
O=S1(=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299123	0	44	-1.0	-51.48	351.41	1.36	-50.12
O=S1(=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299123	1	44	-1.0	-51.47	351.47	1.37	-50.10
O=S1(=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299124	0	41	-1.0	-47.51	322.79	0.53	-46.98
O=S1(=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299124	1	41	-1.0	-47.53	322.84	0.53	-47.00
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)S1	REAL300020299125	0	47	-1.0	-40.81	381.20	7.84	-32.97
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)S1	REAL300020299125	1	47	-1.0	-40.77	381.26	7.85	-32.92
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)S1	REAL300020299126	0	44	-1.0	-45.01	358.94	6.42	-38.59
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)S1	REAL300020299126	1	44	-1.0	-45.03	358.89	6.41	-38.62
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)SC=N1	REAL300020299127	0	46	-1.0	-41.20	367.13	5.41	-35.79
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)SC=N1	REAL300020299127	1	46	-1.0	-41.24	367.19	5.42	-35.82
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)SC=N1	REAL300020299128	0	43	-1.0	-44.75	344.52	4.01	-40.74
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)SC=N1	REAL300020299128	1	43	-1.0	-44.80	344.57	4.03	-40.77
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020299129	0	45	-1.0	-40.29	345.38	4.80	-35.49
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020299129	1	45	-1.0	-40.26	345.44	4.82	-35.44
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020299130	0	42	-1.0	-43.12	326.05	4.36	-38.76
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020299130	1	42	-1.0	-43.12	326.11	4.36	-38.76
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCS1	REAL300020299131	0	49	-1.0	-39.89	376.68	6.73	-33.16
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCS1	REAL300020299131	1	49	-1.0	-39.92	376.72	6.72	-33.20
CN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299132	0	47	-1.0	-43.08	381.19	7.05	-36.03
CN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299132	1	47	-1.0	-43.06	381.24	7.07	-35.99
CN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299133	0	44	-1.0	-46.85	362.45	6.97	-39.88
CN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299133	1	44	-1.0	-46.83	362.51	6.99	-39.84
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)O1	REAL300020299134	0	47	-1.0	-41.45	369.97	5.65	-35.80
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)O1	REAL300020299134	1	47	-1.0	-41.43	370.04	5.67	-35.76
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)O1	REAL300020299135	0	44	-1.0	-45.62	350.69	5.53	-40.09
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)O1	REAL300020299135	1	44	-1.0	-45.54	350.64	5.52	-40.02
CN(CC1=C(F)C=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299136	0	44	-1.0	-47.60	363.62	6.86	-40.74
CN(CC1=C(F)C=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299136	1	44	-1.0	-47.62	363.67	6.87	-40.75
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299137	0	47	-1.0	-41.34	378.66	7.09	-34.25
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299137	1	47	-1.0	-41.30	378.74	7.09	-34.21
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299138	0	44	-1.0	-44.23	363.06	6.99	-37.24
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299138	1	44	-1.0	-44.23	363.10	7.00	-37.23
NC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299139	0	48	-1.0	-52.07	367.62	2.67	-49.40
NC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299139	1	48	-1.0	-52.10	367.67	2.69	-49.41
NC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299140	0	45	-1.0	-50.34	348.43	1.91	-48.43
NC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299140	1	45	-1.0	-50.39	348.48	1.94	-48.45
CN(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299141	0	44	-1.0	-41.43	348.05	4.84	-36.59
CN(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299141	1	44	-1.0	-41.48	348.09	4.85	-36.63
CN(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299142	0	41	-1.0	-45.50	328.77	4.71	-40.79
CN(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299142	1	41	-1.0	-45.49	328.72	4.70	-40.79
CN(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299143	0	48	-1.0	-41.19	385.37	8.55	-32.64
CN(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299143	1	48	-1.0	-41.25	385.43	8.54	-32.71
CN(CC1=CC=C2OCCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299144	0	50	-1.0	-48.33	389.53	5.40	-42.93
CN(CC1=CC=C2OCCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299144	1	50	-1.0	-48.39	389.60	5.42	-42.97
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299145	0	56	0.0	-73.11	407.45	7.10	-66.01
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299145	1	56	0.0	-73.10	407.51	7.11	-65.99
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299146	0	53	0.0	-64.01	378.43	6.35	-57.66
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299146	1	53	0.0	-63.99	378.49	6.35	-57.64
C(CC1=NN=C(N2CCC3CCCCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299147	0	54	-1.0	-45.04	378.00	6.92	-38.12
C(CC1=NN=C(N2CCC3CCCCC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299147	1	54	-1.0	-45.01	378.07	6.93	-38.08
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCCC3C2)N1C1CCOC1	REAL300020299148	0	51	-1.0	-45.73	372.30	7.34	-38.39
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCCC3C2)N1C1CCOC1	REAL300020299148	1	51	-1.0	-45.72	372.35	7.36	-38.36
C(C1=N[N-]N=N1)C1=NN=C(N2CCN(CC3CCCO3)CC2)N1C1CCOC1	REAL300020299149	0	54	-1.0	-42.13	393.26	3.33	-38.80
C(C1=NN=N[N-]1)C1=NN=C(N2CCN(CC3CCCO3)CC2)N1C1CCOC1	REAL300020299149	1	54	-1.0	-42.11	393.31	3.33	-38.78
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CCCO3)CC2)N1C1CCOC1	REAL300020299149	1	55	0.0	-67.44	408.22	6.38	-61.06
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299150	0	51	-1.0	-45.61	401.19	3.42	-42.19
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299150	1	51	-1.0	-45.66	401.38	3.44	-42.22
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299151	0	48	-1.0	-49.43	380.85	3.26	-46.17
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299151	1	48	-1.0	-49.42	380.90	3.27	-46.15
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299152	0	59	0.0	-72.46	416.85	7.30	-65.16
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299152	1	59	0.0	-72.40	416.91	7.32	-65.08
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299153	0	56	0.0	-69.84	391.21	6.36	-63.48
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299153	1	56	0.0	-69.80	391.26	6.38	-63.42
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299154	0	50	-1.0	-44.49	370.30	6.45	-38.04
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299154	1	50	-1.0	-44.50	370.36	6.46	-38.04
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299155	0	47	-1.0	-41.71	349.48	6.52	-35.19
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299155	1	47	-1.0	-41.72	349.53	6.54	-35.18
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020299156	0	54	-1.0	-41.31	414.08	8.99	-32.32
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020299156	1	54	-1.0	-41.34	414.06	8.98	-32.36
CN(CCN1C=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299157	0	47	-1.0	-47.03	366.06	4.65	-42.38
CN(CCN1C=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299157	1	47	-1.0	-47.02	365.99	4.63	-42.39
CN(CCN1C=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299158	0	44	-1.0	-54.02	348.28	4.30	-49.72
CN(CCN1C=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299158	1	44	-1.0	-54.00	348.24	4.29	-49.71
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299159	0	51	-1.0	-41.28	382.79	4.61	-36.67
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299159	1	51	-1.0	-41.30	382.84	4.63	-36.67
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299160	0	48	-1.0	-40.18	366.43	4.98	-35.20
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299160	1	48	-1.0	-40.20	366.49	5.00	-35.20
C(CC1=NN=C(N2CCCC3(CCCCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299161	0	57	-1.0	-41.41	402.41	9.01	-32.40
C(CC1=NN=C(N2CCCC3(CCCCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299161	1	57	-1.0	-41.45	402.46	9.03	-32.42
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCCC3)C2)N1C1CCOC1	REAL300020299162	0	54	-1.0	-47.20	381.51	8.01	-39.19
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCCC3)C2)N1C1CCOC1	REAL300020299162	1	54	-1.0	-47.24	381.56	8.02	-39.22
C(CC1=NN=C(N2CC[NH+](C3CCC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299163	0	54	0.0	-70.91	400.31	7.16	-63.75
C(CC1=NN=C(N2CCN(C3CCC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299163	1	53	-1.0	-42.90	394.69	4.88	-38.02
C(CC1=NN=C(N2CCN(C3CCC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299163	1	53	-1.0	-42.90	394.74	4.90	-38.00
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1C1CCOC1	REAL300020299164	0	51	0.0	-68.34	371.91	6.09	-62.25
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCC3)CC2)N1C1CCOC1	REAL300020299164	1	51	0.0	-68.37	371.97	6.09	-62.28
C(C1=N[N-]N=N1)C1=NN=C(N2CCN(C3CCC3)CC2)N1C1CCOC1	REAL300020299164	1	50	-1.0	-40.65	366.73	4.05	-36.60
C(C1=NN=N[N-]1)C1=NN=C(N2CCN(C3CCC3)CC2)N1C1CCOC1	REAL300020299164	1	50	-1.0	-40.63	366.79	4.05	-36.58
CN1C=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)C=N1	REAL300020299165	0	53	-1.0	-47.69	407.28	4.02	-43.67
CN1C=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)C=N1	REAL300020299165	1	53	-1.0	-47.69	407.22	4.01	-43.68
CN1C=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=N1	REAL300020299166	0	50	-1.0	-48.63	384.39	3.15	-45.48
CN1C=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=N1	REAL300020299166	1	50	-1.0	-48.64	384.34	3.13	-45.51
CCOCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299167	0	54	-1.0	-41.09	404.65	5.58	-35.51
CCOCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299167	1	54	-1.0	-41.16	404.70	5.59	-35.57
CCOCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299168	0	51	-1.0	-40.13	388.28	5.95	-34.18
CCOCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299168	1	51	-1.0	-40.12	388.34	5.97	-34.15
CN(CCNS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299169	0	48	-1.0	-50.14	382.79	-0.19	-50.33
CN(CCNS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299169	1	48	-1.0	-50.10	382.89	-0.19	-50.29
CN(CCNS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299170	0	45	-1.0	-54.94	365.80	-0.34	-55.28
CN(CCNS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299170	1	45	-1.0	-54.97	365.85	-0.33	-55.30
CC1(C2=CC=CC=C2)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299171	0	54	-1.0	-49.43	399.34	9.02	-40.41
CC1(C2=CC=CC=C2)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299171	1	54	-1.0	-49.46	399.39	9.03	-40.43
CCN1C=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020299172	0	50	-1.0	-44.04	386.92	5.21	-38.83
CCN1C=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020299172	1	50	-1.0	-44.02	386.85	5.20	-38.82
CCN1C=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020299173	0	47	-1.0	-45.63	370.83	4.94	-40.69
CCN1C=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020299173	1	47	-1.0	-45.62	370.77	4.95	-40.67
CC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299174	0	50	-1.0	-41.68	363.25	5.92	-35.76
CC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299174	1	50	-1.0	-41.63	363.31	5.93	-35.70
CC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299175	0	47	-1.0	-44.84	336.29	5.26	-39.58
CC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299175	1	47	-1.0	-44.85	336.37	5.27	-39.58
CC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299176	0	54	-1.0	-40.57	391.10	7.70	-32.87
CC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299176	1	54	-1.0	-40.54	391.14	7.69	-32.85
FC1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299177	0	51	-1.0	-45.44	392.43	7.91	-37.53
FC1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299177	1	51	-1.0	-45.39	392.47	7.92	-37.47
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCN1C1CC1	REAL300020299178	0	49	-1.0	-47.04	369.56	4.28	-42.76
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCN1C1CC1	REAL300020299178	1	49	-1.0	-47.00	369.62	4.28	-42.72
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCN1C1CC1	REAL300020299179	0	46	-1.0	-55.40	349.04	3.91	-51.49
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCN1C1CC1	REAL300020299179	1	46	-1.0	-55.37	349.10	3.92	-51.45
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCN1C1=CC=CN=C1	REAL300020299180	0	48	-1.0	-57.09	375.39	3.56	-53.53
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCN1C1=CC=CN=C1	REAL300020299180	1	48	-1.0	-57.10	375.34	3.55	-53.55
COC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299181	0	50	-1.0	-50.43	386.40	6.34	-44.09
COC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299181	1	50	-1.0	-50.45	386.47	6.35	-44.10
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299182	0	47	-1.0	-48.58	357.50	4.98	-43.60
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299182	1	47	-1.0	-48.54	357.56	5.00	-43.54
C1=CC=C(CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCO2)C=C1	REAL300020299183	0	52	-1.0	-45.17	406.24	6.71	-38.46
C1=CC=C(CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCO2)C=C1	REAL300020299183	1	52	-1.0	-45.19	406.29	6.72	-38.47
CC(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020299184	0	51	-1.0	-43.16	383.74	4.62	-38.54
CC(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020299184	1	51	-1.0	-43.13	383.80	4.63	-38.50
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020299185	0	48	-1.0	-45.90	362.97	4.34	-41.56
CC(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020299185	1	48	-1.0	-45.89	363.02	4.36	-41.53
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C)O1	REAL300020299186	0	54	-1.0	-41.52	395.44	5.22	-36.30
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C)O1	REAL300020299186	1	54	-1.0	-41.53	395.49	5.23	-36.30
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C)O1	REAL300020299187	0	51	-1.0	-40.38	376.45	4.72	-35.66
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C)O1	REAL300020299187	1	51	-1.0	-40.32	376.51	4.73	-35.59
C(CC1=NN=C(N2CCC(C3CCCO3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299188	0	55	-1.0	-41.94	408.74	7.08	-34.86
C(CC1=NN=C(N2CCC(C3CCCO3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299188	1	55	-1.0	-41.95	408.80	7.09	-34.86
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCO3)CC2)N1C1CCOC1	REAL300020299189	0	52	-1.0	-40.77	379.41	5.39	-35.38
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCO3)CC2)N1C1CCOC1	REAL300020299189	1	52	-1.0	-40.74	379.48	5.40	-35.34
COC(=O)CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299190	0	51	-1.0	-46.25	389.69	3.95	-42.30
COC(=O)CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299190	1	51	-1.0	-46.26	389.74	3.96	-42.30
COC(=O)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299191	0	48	-1.0	-46.88	370.49	3.53	-43.35
COC(=O)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299191	1	48	-1.0	-46.94	370.54	3.53	-43.41
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299192	0	54	-1.0	-40.08	408.35	8.37	-31.71
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299192	1	54	-1.0	-40.12	408.41	8.38	-31.74
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299193	0	51	-1.0	-45.34	394.84	8.28	-37.06
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299193	1	51	-1.0	-45.36	394.88	8.29	-37.07
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299194	0	48	-1.0	-50.96	371.32	6.17	-44.79
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299194	1	48	-1.0	-50.95	371.37	6.19	-44.76
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299195	0	45	-1.0	-50.01	350.49	6.24	-43.77
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299195	1	45	-1.0	-50.03	350.54	6.26	-43.77
CCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299196	0	53	-1.0	-41.22	386.83	7.61	-33.61
CCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299196	1	53	-1.0	-41.23	386.89	7.62	-33.61
CCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299197	0	50	-1.0	-45.27	361.92	6.67	-38.60
CCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299197	1	50	-1.0	-45.29	361.97	6.68	-38.61
CN(CCCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299198	0	53	-1.0	-41.63	407.66	8.22	-33.41
CN(CCCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299198	1	53	-1.0	-41.68	407.77	8.23	-33.45
CN(CCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299199	0	50	-1.0	-46.01	390.09	8.11	-37.90
CN(CCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299199	1	50	-1.0	-46.01	390.14	8.12	-37.89
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299200	0	50	-1.0	-46.61	386.61	5.83	-40.78
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299200	1	50	-1.0	-46.63	386.67	5.85	-40.78
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299201	0	47	-1.0	-48.20	361.48	4.93	-43.27
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299201	1	47	-1.0	-48.17	361.55	4.93	-43.24
C(CC1=NN=C(N2CCCC3(CCCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299202	0	54	-1.0	-41.45	391.56	7.62	-33.83
C(CC1=NN=C(N2CCCC3(CCCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299202	1	54	-1.0	-41.47	391.62	7.63	-33.84
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCC3)C2)N1C1CCOC1	REAL300020299203	0	51	-1.0	-44.71	364.81	6.68	-38.03
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCC3)C2)N1C1CCOC1	REAL300020299203	1	51	-1.0	-44.73	364.86	6.69	-38.04
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020299204	0	45	-1.0	-43.57	348.04	3.08	-40.49
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020299204	1	45	-1.0	-43.57	348.10	3.09	-40.48
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020299205	0	42	-1.0	-46.31	327.32	2.82	-43.49
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020299205	1	42	-1.0	-46.31	327.27	2.80	-43.51
CN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1=O	REAL300020299206	0	49	-1.0	-43.86	385.47	5.87	-37.99
CN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1=O	REAL300020299206	1	49	-1.0	-43.85	385.47	5.86	-37.99
CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299207	0	51	-1.0	-42.90	387.96	5.05	-37.85
CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299207	1	51	-1.0	-42.90	388.02	5.06	-37.84
CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299208	0	48	-1.0	-41.91	367.02	5.24	-36.67
CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299208	1	48	-1.0	-41.88	367.07	5.27	-36.61
C(CC1=NN=C(N2CC[NH+](CC3CC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299209	0	54	0.0	-73.52	397.39	6.97	-66.55
C(CC1=NN=C(N2CC[NH+](CC3CC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299209	1	54	0.0	-73.59	397.45	6.98	-66.61
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1C1CCOC1	REAL300020299210	0	51	0.0	-64.30	369.08	6.18	-58.12
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CC3)CC2)N1C1CCOC1	REAL300020299210	1	51	0.0	-64.26	369.14	6.20	-58.06
CN(CC12CC3CC(CC(C3)C1)C2)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299211	0	58	-1.0	-40.02	396.79	8.57	-31.45
CN(CC12CC3CC(CC(C3)C1)C2)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299211	1	58	-1.0	-39.99	396.85	8.57	-31.42
CC1=NOC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299212	0	49	-1.0	-41.13	375.51	5.11	-36.02
CC1=NOC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299212	1	49	-1.0	-41.16	375.59	5.13	-36.03
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299213	0	46	-1.0	-40.19	361.20	5.75	-34.44
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299213	1	46	-1.0	-40.21	361.25	5.78	-34.43
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299214	0	49	-1.0	-50.80	388.52	7.49	-43.31
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299214	1	49	-1.0	-50.77	388.56	7.51	-43.26
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299215	0	46	-1.0	-57.62	367.87	7.16	-50.46
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299215	1	46	-1.0	-57.58	367.87	7.17	-50.41
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020299216	0	50	-1.0	-46.66	401.11	7.14	-39.52
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020299216	1	50	-1.0	-46.67	401.17	7.16	-39.51
C1=CC=C(OCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299217	0	52	-1.0	-47.71	398.98	6.97	-40.74
C1=CC=C(OCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299217	1	52	-1.0	-47.67	399.05	6.97	-40.70
CCS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299218	0	50	-1.0	-56.24	387.61	2.49	-53.75
CCS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299218	1	50	-1.0	-56.23	387.69	2.51	-53.72
CN(CCC1=NC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299219	0	46	-1.0	-44.94	369.79	4.55	-40.39
CN(CCC1=NC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299219	1	46	-1.0	-44.98	369.86	4.57	-40.41
CN(CCC1=NC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299220	0	43	-1.0	-47.39	352.03	4.22	-43.17
CN(CCC1=NC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299220	1	43	-1.0	-47.42	352.08	4.22	-43.20
CN(CCC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299221	0	47	-1.0	-46.56	385.38	7.82	-38.74
CN(CCC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299221	1	47	-1.0	-46.57	385.43	7.84	-38.73
CCOC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299222	0	53	-1.0	-41.11	397.62	6.31	-34.80
CCOC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299222	1	53	-1.0	-41.19	397.68	6.33	-34.86
CC(C)OC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020299223	0	54	-1.0	-45.82	415.51	7.31	-38.51
CC(C)OC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020299223	1	54	-1.0	-45.86	415.56	7.33	-38.53
C1=CSC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020299224	0	48	-1.0	-42.40	378.35	6.40	-36.00
C1=CSC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020299224	1	48	-1.0	-42.40	378.41	6.42	-35.98
C1=CSC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020299225	0	45	-1.0	-44.23	354.51	6.55	-37.68
C1=CSC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020299225	1	45	-1.0	-44.23	354.45	6.54	-37.69
C(CC1=NN=C(N2CCC3(C2)CCOCC3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299226	0	52	-1.0	-45.74	363.33	4.04	-41.70
C(CC1=NN=C(N2CCC3(C2)CCOCC3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299226	1	52	-1.0	-45.75	363.38	4.05	-41.70
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)CCOCC3)N1C1CCOC1	REAL300020299227	0	49	-1.0	-48.29	350.69	3.82	-44.47
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)CCOCC3)N1C1CCOC1	REAL300020299227	1	49	-1.0	-48.33	350.74	3.83	-44.50
CN(CCN1CCOC(C)(C)C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299228	0	56	-1.0	-45.93	410.15	3.29	-42.64
CN(CCN1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299228	1	56	-1.0	-45.91	410.19	3.29	-42.62
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299228	1	57	0.0	-66.16	413.12	5.63	-60.53
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299228	1	57	0.0	-66.45	411.63	5.43	-61.02
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1N1CCOCC1	REAL300020299229	0	54	-1.0	-43.44	382.90	3.25	-40.19
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1N1CCOCC1	REAL300020299229	1	54	-1.0	-43.50	382.96	3.27	-40.23
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1[NH+]1CCOCC1	REAL300020299229	1	55	0.0	-74.13	379.93	3.80	-70.33
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020299230	0	51	-1.0	-39.48	392.49	7.91	-31.57
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020299230	1	51	-1.0	-39.54	392.53	7.92	-31.62
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020299231	0	48	-1.0	-43.15	368.41	6.04	-37.11
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020299231	1	48	-1.0	-43.19	368.45	6.03	-37.16
NC(=O)COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299232	0	52	-1.0	-52.10	403.14	2.37	-49.73
NC(=O)COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299232	1	52	-1.0	-52.09	403.19	2.38	-49.71
NC(=O)COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299233	0	49	-1.0	-47.90	381.48	2.42	-45.48
NC(=O)COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299233	1	49	-1.0	-47.89	381.53	2.44	-45.45
COC(=O)C1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299234	0	47	-1.0	-44.18	371.44	5.70	-38.48
COC(=O)C1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299234	1	47	-1.0	-44.12	371.49	5.72	-38.40
COC(=O)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299235	0	44	-1.0	-50.06	349.46	4.28	-45.78
COC(=O)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299235	1	44	-1.0	-50.05	349.51	4.29	-45.76
C(CC1=NN=C(N2CCOC3(CCCCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299236	0	55	-1.0	-41.73	398.71	6.28	-35.45
C(CC1=NN=C(N2CCOC3(CCCCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299236	1	55	-1.0	-41.74	398.77	6.29	-35.45
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCCCC3)C2)N1C1CCOC1	REAL300020299237	0	52	-1.0	-41.42	375.25	5.67	-35.75
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCCCC3)C2)N1C1CCOC1	REAL300020299237	1	52	-1.0	-41.39	375.32	5.68	-35.71
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299238	0	45	-1.0	-41.45	335.35	2.63	-38.82
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299238	1	45	-1.0	-41.48	335.41	2.65	-38.83
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299239	0	42	-1.0	-45.31	322.83	2.84	-42.47
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299239	1	42	-1.0	-45.35	322.87	2.85	-42.50
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCO1	REAL300020299240	0	49	-1.0	-40.39	366.42	4.65	-35.74
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCO1	REAL300020299240	1	49	-1.0	-40.34	366.47	4.64	-35.70
CC1=NC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)S1	REAL300020299241	0	46	-1.0	-39.70	384.53	5.00	-34.70
CC1=NC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)S1	REAL300020299241	1	46	-1.0	-39.73	384.59	5.01	-34.72
CC1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)S1	REAL300020299242	0	43	-1.0	-45.05	353.56	4.41	-40.64
CC1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)S1	REAL300020299242	1	43	-1.0	-45.02	353.61	4.44	-40.58
CN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299243	0	44	-1.0	-41.33	336.65	5.17	-36.16
CN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299243	1	44	-1.0	-41.40	336.71	5.18	-36.22
CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299244	0	41	-1.0	-44.74	318.70	5.09	-39.65
CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299244	1	41	-1.0	-44.75	318.65	5.07	-39.68
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299245	0	48	-1.0	-40.98	378.09	8.22	-32.76
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299245	1	48	-1.0	-40.96	378.14	8.21	-32.75
CC1=CC=CC(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020299246	0	54	-1.0	-43.23	415.44	7.00	-36.23
CC1=CC=CC(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020299246	1	54	-1.0	-43.21	415.50	7.01	-36.20
CC1=CC=CC(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020299247	0	51	-1.0	-42.83	400.54	7.29	-35.54
CC1=CC=CC(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020299247	1	51	-1.0	-42.81	400.60	7.32	-35.49
CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299248	0	47	-1.0	-44.18	372.36	6.65	-37.53
CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299248	1	47	-1.0	-44.17	372.42	6.67	-37.50
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299249	0	44	-1.0	-48.15	353.77	6.54	-41.61
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299249	1	44	-1.0	-48.12	353.71	6.52	-41.60
COC1=CC=C(CCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020299250	0	54	-1.0	-47.06	419.59	7.41	-39.65
COC1=CC=C(CCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020299250	1	54	-1.0	-47.10	419.65	7.42	-39.68
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299251	0	54	-1.0	-46.70	418.71	7.63	-39.07
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299251	1	54	-1.0	-46.74	418.76	7.65	-39.09
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299252	0	59	0.0	-70.13	412.37	7.55	-62.58
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299252	1	59	0.0	-68.54	420.82	7.39	-61.15
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299252	1	59	0.0	-70.20	412.43	7.56	-62.64
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299252	1	59	0.0	-68.58	420.88	7.41	-61.17
CC(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299253	0	49	-1.0	-40.92	364.82	5.71	-35.21
CC(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299253	1	49	-1.0	-40.90	364.92	5.71	-35.19
CC(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299254	0	46	-1.0	-44.92	347.82	5.55	-39.37
CC(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299254	1	46	-1.0	-44.92	347.87	5.56	-39.36
CC(C)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299255	0	53	-1.0	-41.35	398.76	9.02	-32.33
CC(C)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299255	1	53	-1.0	-41.31	398.47	8.94	-32.37
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299256	0	47	-1.0	-45.38	363.65	4.86	-40.52
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299256	1	47	-1.0	-45.37	363.70	4.88	-40.49
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299257	0	44	-1.0	-45.73	339.36	4.28	-41.45
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299257	1	44	-1.0	-45.75	339.41	4.30	-41.45
COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299258	0	49	-1.0	-47.94	380.04	3.97	-43.97
COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299258	1	49	-1.0	-48.00	380.09	3.99	-44.01
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299259	0	46	-1.0	-48.67	354.42	2.98	-45.69
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299259	1	46	-1.0	-48.59	354.47	2.98	-45.61
CN(CC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299260	0	49	-1.0	-39.92	357.77	6.06	-33.86
CN(CC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299260	1	49	-1.0	-39.95	357.83	6.07	-33.88
CN(CC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299261	0	46	-1.0	-44.95	337.64	6.06	-38.89
CN(CC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299261	1	46	-1.0	-44.95	337.58	6.05	-38.90
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299262	0	53	-1.0	-41.88	388.79	7.24	-34.64
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299262	1	53	-1.0	-41.77	388.82	7.23	-34.54
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299263	0	59	0.0	-65.72	417.49	7.36	-58.36
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299263	1	59	0.0	-65.74	417.54	7.36	-58.38
CN1N=CC=C1C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299264	0	54	-1.0	-45.80	412.95	6.10	-39.70
CN1N=CC=C1C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299264	1	54	-1.0	-45.78	413.01	6.12	-39.66
CN1N=CC=C1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299265	0	51	-1.0	-49.36	388.75	5.64	-43.72
CN1N=CC=C1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299265	1	51	-1.0	-49.33	388.80	5.64	-43.69
COCCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299266	0	55	-1.0	-44.56	421.58	4.31	-40.25
COCCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299266	1	55	-1.0	-44.62	421.63	4.32	-40.30
COCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299267	0	52	-1.0	-48.31	400.42	4.00	-44.31
COCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299267	1	52	-1.0	-48.37	400.48	4.01	-44.36
CN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299268	0	44	-1.0	-41.33	336.65	5.17	-36.16
CN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299268	1	44	-1.0	-41.40	336.71	5.18	-36.22
CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299269	0	41	-1.0	-44.74	318.70	5.09	-39.65
CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299269	1	41	-1.0	-44.75	318.65	5.07	-39.68
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299270	0	48	-1.0	-40.98	378.09	8.22	-32.76
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299270	1	48	-1.0	-40.96	378.14	8.21	-32.75
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C1=CC=CC=C1	REAL300020299271	0	54	-1.0	-42.06	404.05	9.36	-32.70
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C1=CC=CC=C1	REAL300020299271	1	54	-1.0	-42.11	404.11	9.39	-32.72
CN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299272	0	47	-1.0	-42.33	357.07	5.94	-36.39
CN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299272	1	47	-1.0	-42.29	357.13	5.96	-36.33
CN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299273	0	44	-1.0	-44.86	340.35	5.85	-39.01
CN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299273	1	44	-1.0	-44.84	340.40	5.86	-38.98
CN(CCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299274	0	51	-1.0	-41.49	393.62	9.60	-31.89
CN(CCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299274	1	51	-1.0	-41.53	393.60	9.60	-31.93
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299275	0	55	-1.0	-42.79	414.94	3.59	-39.20
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299275	1	55	-1.0	-42.77	414.99	3.60	-39.17
CCOCCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299276	0	52	-1.0	-45.88	392.53	2.94	-42.94
CCOCCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299276	1	52	-1.0	-45.92	392.59	2.94	-42.98
COCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299277	0	47	-1.0	-41.26	359.42	3.50	-37.76
COCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299277	1	47	-1.0	-41.26	359.52	3.50	-37.76
COCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299278	0	44	-1.0	-45.45	342.43	3.34	-42.11
COCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299278	1	44	-1.0	-45.41	342.48	3.35	-42.06
COCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299279	0	51	-1.0	-41.79	393.36	6.80	-34.99
COCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299279	1	51	-1.0	-41.75	393.08	6.73	-35.02
CC(=O)N(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299280	0	54	-1.0	-51.91	403.42	5.29	-46.62
CC(=O)N(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299280	1	54	-1.0	-51.92	403.48	5.30	-46.62
CC(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299281	0	51	-1.0	-50.43	383.66	5.41	-45.02
CC(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299281	1	51	-1.0	-50.42	383.72	5.44	-44.98
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(C)S1	REAL300020299282	0	48	-1.0	-40.18	363.41	6.10	-34.08
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(C)S1	REAL300020299282	1	48	-1.0	-40.19	363.47	6.13	-34.06
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C)S1	REAL300020299283	0	45	-1.0	-39.24	345.43	5.58	-33.66
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C)S1	REAL300020299283	1	45	-1.0	-39.26	345.49	5.59	-33.67
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299284	0	45	-1.0	-42.85	359.35	4.15	-38.70
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299284	1	45	-1.0	-42.91	359.41	4.16	-38.75
CN(CC1=CN=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299285	0	42	-1.0	-47.14	336.65	2.75	-44.39
CN(CC1=CN=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299285	1	42	-1.0	-47.19	336.60	2.74	-44.45
C(CC1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299286	0	54	0.0	-68.15	386.88	6.41	-61.74
C(CC1=NN=C(N2CC[N@H+]3CCCCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299286	1	54	0.0	-70.68	382.41	5.86	-64.82
C(CC1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299286	1	54	0.0	-68.11	386.97	6.43	-61.68
C(CC1=NN=C(N2CC[N@H+]3CCCCC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299286	1	54	0.0	-70.68	382.48	5.88	-64.80
C(CC1=NN=C(N2CCN3CCCCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299286	1	53	-1.0	-41.16	380.65	3.60	-37.56
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1C1CCOC1	REAL300020299287	0	51	0.0	-63.89	370.68	5.93	-57.96
C(C1=N[N-]N=N1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1C1CCOC1	REAL300020299287	1	51	0.0	-68.53	361.59	5.21	-63.32
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@@H+]3CCCCC3C2)N1C1CCOC1	REAL300020299287	1	51	0.0	-63.88	370.76	5.93	-57.95
C(C1=NN=N[N-]1)C1=NN=C(N2CC[N@H+]3CCCCC3C2)N1C1CCOC1	REAL300020299287	1	51	0.0	-68.55	361.64	5.21	-63.34
C(C1=N[N-]N=N1)C1=NN=C(N2CCN3CCCCC3C2)N1C1CCOC1	REAL300020299287	1	50	-1.0	-42.25	361.59	3.17	-39.08
C(C1=NN=N[N-]1)C1=NN=C(N2CCN3CCCCC3C2)N1C1CCOC1	REAL300020299287	1	50	-1.0	-42.28	361.65	3.19	-39.09
CC(C)CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299288	0	57	-1.0	-40.33	425.32	7.32	-33.01
CC(C)CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299288	1	57	-1.0	-40.34	425.37	7.35	-32.99
CC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299289	0	46	-1.0	-41.02	344.86	5.31	-35.71
CC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299289	1	46	-1.0	-40.99	344.93	5.32	-35.67
CC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299290	0	43	-1.0	-45.26	324.46	5.39	-39.87
CC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299290	1	43	-1.0	-45.29	324.40	5.38	-39.91
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299291	0	50	-1.0	-40.40	385.57	8.26	-32.14
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299291	1	50	-1.0	-40.40	385.57	8.27	-32.13
C1=NN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)C=N1	REAL300020299292	0	50	-1.0	-49.55	386.26	7.17	-42.38
C1=NN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)C=N1	REAL300020299292	1	50	-1.0	-49.53	386.21	7.15	-42.38
C1=NN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=N1	REAL300020299293	0	47	-1.0	-49.39	361.14	6.25	-43.14
C1=NN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=N1	REAL300020299293	1	47	-1.0	-49.38	361.08	6.25	-43.13
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299294	0	43	-1.0	-41.03	325.75	4.42	-36.61
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299294	1	43	-1.0	-41.02	325.85	4.43	-36.59
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299295	0	47	-1.0	-41.49	359.69	7.73	-33.76
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299295	1	47	-1.0	-41.53	359.40	7.66	-33.87
CN(CC1CCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299296	0	50	-1.0	-43.21	370.43	6.18	-37.03
CN(CC1CCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299296	1	50	-1.0	-43.19	370.49	6.19	-37.00
CN(CC1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299297	0	47	-1.0	-45.64	352.31	6.27	-39.37
CN(CC1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299297	1	47	-1.0	-45.64	352.36	6.28	-39.36
CN(CC1CCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299298	0	54	-1.0	-40.58	410.04	8.71	-31.87
CN(CC1CCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299298	1	54	-1.0	-40.88	412.07	8.77	-32.11
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299299	0	48	-1.0	-44.62	372.92	3.91	-40.71
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299299	1	48	-1.0	-44.63	372.98	3.92	-40.71
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299300	0	45	-1.0	-45.32	346.74	2.89	-42.43
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299300	1	45	-1.0	-45.28	346.78	2.89	-42.39
CN(CC1=CC=C(F)C=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299301	0	47	-1.0	-40.74	376.93	7.91	-32.83
CN(CC1=CC=C(F)C=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299301	1	47	-1.0	-40.74	376.98	7.93	-32.81
CN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299302	0	44	-1.0	-44.35	353.62	6.44	-37.91
CN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299302	1	44	-1.0	-44.36	353.68	6.45	-37.91
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299303	0	48	-1.0	-42.25	362.15	4.07	-38.18
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299303	1	48	-1.0	-42.22	362.21	4.09	-38.13
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299304	0	45	-1.0	-45.17	343.60	3.68	-41.49
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299304	1	45	-1.0	-45.17	343.65	3.68	-41.49
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCO1	REAL300020299305	0	52	-1.0	-44.39	403.42	7.83	-36.56
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCO1	REAL300020299305	1	52	-1.0	-44.37	403.47	7.82	-36.55
C1=CC=C(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCO2)C=C1	REAL300020299306	0	52	-1.0	-42.72	405.64	7.66	-35.06
C1=CC=C(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCO2)C=C1	REAL300020299306	1	52	-1.0	-42.71	405.72	7.68	-35.03
C1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCO2)C=C1	REAL300020299307	0	49	-1.0	-46.37	384.49	5.95	-40.42
C1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCO2)C=C1	REAL300020299307	1	49	-1.0	-46.39	384.54	5.95	-40.44
CN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299308	0	53	-1.0	-43.39	388.18	7.03	-36.36
CN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299308	1	53	-1.0	-43.35	388.23	7.05	-36.30
CN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299309	0	50	-1.0	-45.43	370.08	7.12	-38.31
CN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299309	1	50	-1.0	-45.41	370.12	7.13	-38.28
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCCC3)CC2)N1C1CCOC1	REAL300020299310	0	57	0.0	-67.76	397.44	7.28	-60.48
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCCC3)CC2)N1C1CCOC1	REAL300020299310	1	57	0.0	-67.77	397.50	7.29	-60.48
C#CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299311	0	39	-1.0	-40.69	311.11	4.19	-36.50
C#CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299311	1	39	-1.0	-40.65	311.18	4.19	-36.46
C#CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299312	0	43	-1.0	-41.18	345.76	7.53	-33.65
C#CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299312	1	43	-1.0	-41.13	345.72	7.52	-33.61
C=CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299313	0	41	-1.0	-39.23	331.95	4.65	-34.58
C=CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299313	1	41	-1.0	-39.19	332.01	4.66	-34.53
C=CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299314	0	45	-1.0	-41.42	351.55	7.54	-33.88
C=CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299314	1	45	-1.0	-41.41	351.45	7.51	-33.90
C(CC1=NN=C(N2CCCC(OCC3CC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299315	0	55	-1.0	-43.04	416.85	6.52	-36.52
C(CC1=NN=C(N2CCCC(OCC3CC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299315	1	55	-1.0	-43.03	416.90	6.53	-36.50
C(OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1)C1CC1	REAL300020299316	0	52	-1.0	-46.97	395.67	6.19	-40.78
C(OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1)C1CC1	REAL300020299316	1	52	-1.0	-47.02	395.73	6.19	-40.83
CC1(C)C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC21	REAL300020299317	0	48	-1.0	-40.82	354.11	5.68	-35.14
CC1(C)C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC21	REAL300020299317	1	48	-1.0	-40.81	354.15	5.69	-35.12
CC1(C)C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC21	REAL300020299318	0	45	-1.0	-48.11	334.41	5.44	-42.67
CC1(C)C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC21	REAL300020299318	1	45	-1.0	-48.15	334.47	5.47	-42.68
CC1(C)C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C3CCOC3)CC21	REAL300020299319	0	52	-1.0	-40.41	402.67	8.32	-32.09
CC1(C)C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C3CCOC3)CC21	REAL300020299319	1	52	-1.0	-40.35	402.75	8.31	-32.04
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(CN3CCOCC3)C2)N1C1CCOC1	REAL300020299320	0	54	-1.0	-45.35	389.14	2.16	-43.19
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(CN3CCOCC3)C2)N1C1CCOC1	REAL300020299320	1	54	-1.0	-45.37	389.19	2.18	-43.19
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C[NH+]3CCOCC3)C2)N1C1CCOC1	REAL300020299320	1	55	0.0	-82.30	392.87	4.51	-77.79
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCC1C1=CC=CC=C1	REAL300020299321	0	54	-1.0	-44.53	409.81	8.47	-36.06
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCC1C1=CC=CC=C1	REAL300020299321	1	54	-1.0	-44.53	409.84	8.49	-36.04
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020299322	0	56	-1.0	-46.82	410.89	9.33	-37.49
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020299322	1	56	-1.0	-46.82	410.93	9.35	-37.47
CC(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299323	0	53	-1.0	-44.47	387.28	6.91	-37.56
CC(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299323	1	53	-1.0	-44.49	387.33	6.93	-37.56
CC(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299324	0	50	-1.0	-40.54	360.21	6.18	-34.36
CC(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299324	1	50	-1.0	-40.57	360.27	6.18	-34.39
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C(F)(F)F)O1	REAL300020299325	0	45	-1.0	-40.32	360.35	4.15	-36.17
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C(F)(F)F)O1	REAL300020299325	1	45	-1.0	-40.35	360.40	4.15	-36.20
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C[NH+]3CCCCC3)C2)N1C1CCOC1	REAL300020299326	0	57	0.0	-67.53	404.30	7.45	-60.08
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C[NH+]3CCCCC3)C2)N1C1CCOC1	REAL300020299326	1	57	0.0	-67.49	404.34	7.46	-60.03
C1=CN(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)N=N1	REAL300020299327	0	53	-1.0	-52.01	403.23	5.54	-46.47
C1=CN(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)N=N1	REAL300020299327	1	53	-1.0	-52.05	403.17	5.52	-46.53
C1=CN(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)N=N1	REAL300020299328	0	50	-1.0	-52.04	380.20	4.92	-47.12
C1=CN(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)N=N1	REAL300020299328	1	50	-1.0	-52.03	380.14	4.91	-47.12
CC(=O)N1CCC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299329	0	54	-1.0	-50.28	408.34	4.78	-45.50
CC(=O)N1CCC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299329	1	54	-1.0	-50.29	408.41	4.79	-45.50
CC(=O)N1CCC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299330	0	51	-1.0	-54.37	390.06	4.44	-49.93
CC(=O)N1CCC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299330	1	51	-1.0	-54.34	390.11	4.44	-49.90
COCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299331	0	52	-1.0	-44.74	398.51	3.50	-41.24
COCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299331	1	52	-1.0	-44.74	398.57	3.51	-41.23
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299332	0	49	-1.0	-47.61	373.60	2.87	-44.74
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299332	1	49	-1.0	-47.59	373.64	2.87	-44.72
FC(F)(F)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299333	0	47	-1.0	-42.84	366.33	5.81	-37.03
FC(F)(F)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299333	1	47	-1.0	-42.84	366.38	5.82	-37.02
FC(F)(F)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299334	0	44	-1.0	-41.02	349.96	6.18	-34.84
FC(F)(F)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299334	1	44	-1.0	-40.98	350.02	6.21	-34.77
O=C1CCCN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299335	0	52	-1.0	-46.52	389.45	5.05	-41.47
O=C1CCCN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299335	1	52	-1.0	-46.49	389.51	5.06	-41.43
O=C1CCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299336	0	49	-1.0	-46.65	365.17	4.47	-42.18
O=C1CCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299336	1	49	-1.0	-46.61	365.21	4.49	-42.12
CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299337	0	44	-1.0	-44.79	335.18	4.73	-40.06
CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299337	1	44	-1.0	-44.77	335.23	4.74	-40.03
CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299338	0	41	-1.0	-50.66	312.61	4.75	-45.91
CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299338	1	41	-1.0	-50.65	312.66	4.76	-45.89
CC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299339	0	48	-1.0	-44.52	371.47	8.25	-36.27
CC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299339	1	48	-1.0	-44.48	371.53	8.24	-36.24
COCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020299340	0	52	-1.0	-42.91	401.04	3.25	-39.66
COCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020299340	1	52	-1.0	-42.95	401.09	3.27	-39.68
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020299341	0	49	-1.0	-46.10	380.26	2.98	-43.12
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020299341	1	49	-1.0	-46.08	380.31	2.99	-43.09
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(CC3CCOC3)C2)N1C1CCOC1	REAL300020299342	0	55	-1.0	-43.23	406.38	6.47	-36.76
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(CC3CCOC3)C2)N1C1CCOC1	REAL300020299342	1	55	-1.0	-43.25	406.44	6.49	-36.76
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC12CCC2	REAL300020299343	0	54	-1.0	-41.76	382.00	6.39	-35.37
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC12CCC2	REAL300020299343	1	54	-1.0	-41.76	382.05	6.41	-35.35
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC12CCC2	REAL300020299344	0	51	-1.0	-45.83	368.75	7.04	-38.79
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC12CCC2	REAL300020299344	1	51	-1.0	-45.83	368.78	7.06	-38.77
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299345	0	51	-1.0	-41.77	381.40	5.22	-36.55
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299345	1	51	-1.0	-41.76	381.46	5.24	-36.52
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299346	0	48	-1.0	-45.63	356.44	4.28	-41.35
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299346	1	48	-1.0	-45.59	356.49	4.29	-41.30
C[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCN1S(C)(=O)=O	REAL300020299347	0	49	-1.0	-49.85	369.49	1.51	-48.34
C[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCN1S(C)(=O)=O	REAL300020299347	1	49	-1.0	-49.86	369.55	1.52	-48.34
C(CC1=NN=C(N2CCC(C3CCOC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299348	0	55	-1.0	-46.43	403.96	5.68	-40.75
C(CC1=NN=C(N2CCC(C3CCOC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299348	1	55	-1.0	-46.42	404.02	5.69	-40.73
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCOC3)CC2)N1C1CCOC1	REAL300020299349	0	52	-1.0	-46.33	381.40	4.91	-41.42
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCOC3)CC2)N1C1CCOC1	REAL300020299349	1	52	-1.0	-46.38	381.46	4.92	-41.46
CN1CC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCN2C1=O	REAL300020299350	0	51	-1.0	-47.66	391.93	4.27	-43.39
CN1CC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCN2C1=O	REAL300020299350	1	51	-1.0	-47.64	391.99	4.28	-43.36
CN1CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN2C1=O	REAL300020299351	0	48	-1.0	-48.93	368.20	3.89	-45.04
CN1CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN2C1=O	REAL300020299351	1	48	-1.0	-48.93	368.25	3.91	-45.02
C(CC1=NN=C(N2CCCC3(CCOCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299352	0	55	-1.0	-43.30	389.49	5.10	-38.20
C(CC1=NN=C(N2CCCC3(CCOCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299352	1	55	-1.0	-43.27	389.55	5.11	-38.16
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCOCC3)C2)N1C1CCOC1	REAL300020299353	0	52	-1.0	-45.87	364.18	4.27	-41.60
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCOCC3)C2)N1C1CCOC1	REAL300020299353	1	52	-1.0	-45.85	364.23	4.27	-41.58
CC(C)(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299354	0	54	-1.0	-41.32	397.32	5.17	-36.15
CC(C)(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299354	1	54	-1.0	-41.35	397.39	5.19	-36.16
CC(C)(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299355	0	51	-1.0	-45.84	376.31	4.96	-40.88
CC(C)(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299355	1	51	-1.0	-45.91	376.36	4.98	-40.93
CC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C(C)=C1	REAL300020299356	0	54	-1.0	-44.87	393.11	7.47	-37.40
CC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C(C)=C1	REAL300020299356	1	54	-1.0	-44.85	393.17	7.49	-37.36
CC(C)(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299357	0	56	-1.0	-41.51	400.58	8.01	-33.50
CC(C)(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299357	1	56	-1.0	-41.51	400.64	8.03	-33.48
CC(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299358	0	53	-1.0	-41.35	380.78	7.31	-34.04
CC(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299358	1	53	-1.0	-41.31	380.83	7.33	-33.98
C1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299359	0	51	-1.0	-45.25	384.64	8.45	-36.80
C1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299359	1	51	-1.0	-45.23	384.70	8.48	-36.75
C1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299360	0	48	-1.0	-46.42	362.24	6.98	-39.44
C1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299360	1	48	-1.0	-46.40	362.28	7.00	-39.40
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299361	0	45	-1.0	-47.63	341.13	0.76	-46.87
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299361	1	45	-1.0	-47.61	341.19	0.77	-46.84
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299362	0	42	-1.0	-48.79	321.33	0.29	-48.50
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299362	1	42	-1.0	-48.75	321.26	0.28	-48.47
NC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299363	0	49	-1.0	-47.38	395.23	3.90	-43.48
NC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299363	1	49	-1.0	-47.35	395.27	3.89	-43.46
C(CC1=NN=C(N2CCCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299364	0	41	-1.0	-43.07	312.62	4.26	-38.81
C(CC1=NN=C(N2CCCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299364	1	41	-1.0	-43.10	312.68	4.28	-38.82
C1=CC(C2=NN=C(N3CCCC3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020299365	0	45	-1.0	-42.41	347.65	6.24	-36.17
C1=CC(C2=NN=C(N3CCCC3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020299365	1	45	-1.0	-42.29	347.69	6.23	-36.06
CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299366	0	47	-1.0	-41.26	349.75	5.51	-35.75
CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299366	1	47	-1.0	-41.26	349.80	5.53	-35.73
CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299367	0	44	-1.0	-40.69	333.44	5.91	-34.78
CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299367	1	44	-1.0	-40.64	333.38	5.88	-34.76
CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299368	0	51	-1.0	-41.85	392.46	9.40	-32.45
CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299368	1	51	-1.0	-41.85	392.49	9.39	-32.46
C(CC1=NN=C(N2CCOCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299369	0	42	-1.0	-44.66	323.33	2.89	-41.77
C(CC1=NN=C(N2CCOCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299369	1	42	-1.0	-44.66	323.40	2.90	-41.76
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCC2)N1C1CCOC1	REAL300020299370	0	39	-1.0	-42.42	293.24	2.01	-40.41
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCC2)N1C1CCOC1	REAL300020299370	1	39	-1.0	-42.45	293.18	1.99	-40.46
C1=CC(C2=NN=C(N3CCOCC3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020299371	0	46	-1.0	-41.86	354.37	6.15	-35.71
C1=CC(C2=NN=C(N3CCOCC3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020299371	1	46	-1.0	-41.82	354.40	6.14	-35.68
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299372	0	48	-1.0	-50.63	366.53	4.10	-46.53
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299372	1	48	-1.0	-50.60	366.59	4.11	-46.49
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299373	0	45	-1.0	-51.93	341.93	3.16	-48.77
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299373	1	45	-1.0	-51.93	341.98	3.16	-48.77
FC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299374	0	50	-1.0	-42.70	374.03	5.31	-37.39
FC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299374	1	50	-1.0	-42.67	374.09	5.32	-37.35
C1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020299375	0	54	-1.0	-43.67	408.67	9.46	-34.21
C1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020299375	1	54	-1.0	-43.67	408.72	9.48	-34.19
CC1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299376	0	50	-1.0	-44.96	369.41	6.76	-38.20
CC1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299376	1	50	-1.0	-44.95	369.47	6.78	-38.17
CC1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299377	0	47	-1.0	-43.79	345.63	5.66	-38.13
CC1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299377	1	47	-1.0	-43.25	346.49	5.72	-37.53
CC1CC(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299378	0	54	-1.0	-40.05	413.14	9.48	-30.57
CC1CC(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299378	1	54	-1.0	-40.02	413.14	9.47	-30.55
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299379	0	53	-1.0	-47.31	407.64	6.74	-40.57
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299379	1	53	-1.0	-47.26	407.70	6.75	-40.51
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299380	0	50	-1.0	-42.39	386.82	6.81	-35.58
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299380	1	50	-1.0	-42.39	386.87	6.83	-35.56
CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299381	0	46	-1.0	-40.90	347.25	5.21	-35.69
CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299381	1	46	-1.0	-40.90	347.35	5.21	-35.69
CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299382	0	43	-1.0	-44.88	330.30	5.06	-39.82
CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299382	1	43	-1.0	-44.90	330.25	5.05	-39.85
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299383	0	50	-1.0	-41.32	381.19	8.51	-32.81
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299383	1	50	-1.0	-41.26	380.90	8.44	-32.82
CCOC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299384	0	52	-1.0	-48.02	402.47	4.91	-43.11
CCOC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299384	1	52	-1.0	-47.98	402.53	4.93	-43.05
CCOC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299385	0	49	-1.0	-44.31	373.59	4.05	-40.26
CCOC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299385	1	49	-1.0	-44.32	373.65	4.05	-40.27
FC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020299386	0	50	-1.0	-41.74	378.78	5.39	-36.35
FC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020299386	1	50	-1.0	-41.73	378.83	5.40	-36.33
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299387	0	48	-1.0	-49.82	367.80	1.86	-47.96
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299387	1	48	-1.0	-49.81	367.85	1.88	-47.93
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299388	0	45	-1.0	-52.09	342.67	0.96	-51.13
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299388	1	45	-1.0	-52.08	342.73	0.96	-51.12
CCOC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299389	0	53	-1.0	-47.33	408.29	7.57	-39.76
CCOC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299389	1	53	-1.0	-47.36	408.35	7.59	-39.77
CCOC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299390	0	50	-1.0	-49.16	390.30	6.07	-43.09
CCOC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299390	1	50	-1.0	-49.19	390.35	6.08	-43.11
C1=CN=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)N=C1	REAL300020299391	0	51	-1.0	-44.49	393.97	6.58	-37.91
C1=CN=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)N=C1	REAL300020299391	1	51	-1.0	-44.55	393.92	6.56	-37.99
C1=CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)N=C1	REAL300020299392	0	48	-1.0	-47.73	367.74	4.80	-42.93
C1=CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)N=C1	REAL300020299392	1	48	-1.0	-46.16	375.26	5.93	-40.23
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299393	0	47	-1.0	-43.55	357.08	5.90	-37.65
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299393	1	47	-1.0	-43.53	357.14	5.93	-37.60
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299394	0	44	-1.0	-41.97	323.33	5.03	-36.94
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299394	1	44	-1.0	-41.98	323.27	5.03	-36.95
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020299395	0	51	-1.0	-41.35	393.60	9.70	-31.65
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020299395	1	51	-1.0	-41.31	396.08	9.71	-31.60
C1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)N=C1	REAL300020299396	0	52	-1.0	-46.08	398.14	5.60	-40.48
C1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)N=C1	REAL300020299396	1	52	-1.0	-46.06	398.20	5.61	-40.45
C1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)N=C1	REAL300020299397	0	49	-1.0	-42.89	370.19	4.76	-38.13
C1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)N=C1	REAL300020299397	1	49	-1.0	-42.92	370.25	4.76	-38.16
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299398	0	48	-1.0	-45.96	378.61	4.09	-41.87
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299398	1	48	-1.0	-45.96	378.69	4.10	-41.86
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299399	0	45	-1.0	-46.13	360.59	4.13	-42.00
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299399	1	45	-1.0	-46.18	360.66	4.14	-42.04
O=C(C1=COC=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299400	0	49	-1.0	-49.80	374.04	4.09	-45.71
O=C(C1=COC=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299400	1	49	-1.0	-49.80	374.09	4.10	-45.70
C(CC1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299401	0	57	0.0	-65.09	407.83	7.22	-57.87
C(CC1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299401	1	57	0.0	-65.08	407.89	7.24	-57.84
C(C1=N[N-]N=N1)C1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1C1CCOC1	REAL300020299402	0	54	0.0	-62.97	383.56	6.66	-56.31
C(C1=NN=N[N-]1)C1=NN=C(N2CCC([NH+]3CCCCC3)C2)N1C1CCOC1	REAL300020299402	1	54	0.0	-63.01	383.61	6.67	-56.34
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299403	0	50	-1.0	-43.93	392.24	8.59	-35.34
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299403	1	50	-1.0	-43.95	392.16	8.57	-35.38
CN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299404	0	44	-1.0	-40.34	376.36	7.66	-32.68
CN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299404	1	44	-1.0	-40.37	376.42	7.67	-32.70
CN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299405	0	41	-1.0	-43.92	354.05	6.23	-37.69
CN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299405	1	41	-1.0	-43.89	354.08	6.24	-37.65
CN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299406	0	47	-1.0	-41.58	373.90	6.57	-35.01
CN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299406	1	47	-1.0	-41.59	373.96	6.57	-35.02
CN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299407	0	44	-1.0	-47.27	357.47	6.20	-41.07
CN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299407	1	44	-1.0	-47.28	357.51	6.20	-41.08
CS(=O)(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299408	0	50	-1.0	-54.88	396.82	3.76	-51.12
CS(=O)(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299408	1	50	-1.0	-54.90	396.87	3.78	-51.12
CS(=O)(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299409	0	47	-1.0	-54.84	363.57	1.36	-53.48
CS(=O)(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299409	1	47	-1.0	-54.83	363.63	1.38	-53.45
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299410	0	51	-1.0	-44.15	398.16	6.70	-37.45
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299410	1	51	-1.0	-44.15	398.22	6.71	-37.44
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299411	0	48	-1.0	-48.36	370.18	6.18	-42.18
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299411	1	48	-1.0	-48.29	370.13	6.17	-42.12
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299412	0	50	-1.0	-42.46	398.97	8.56	-33.90
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299412	1	50	-1.0	-42.50	399.02	8.58	-33.92
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299413	0	47	-1.0	-46.99	374.68	7.05	-39.94
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299413	1	47	-1.0	-47.02	374.63	7.03	-39.99
C1=CSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=C1	REAL300020299414	0	47	-1.0	-40.37	369.18	4.57	-35.80
C1=CSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=C1	REAL300020299414	1	47	-1.0	-40.42	369.24	4.58	-35.84
COCCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299415	0	55	-1.0	-48.71	431.62	3.15	-45.56
COCCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299415	1	55	-1.0	-48.70	431.67	3.17	-45.53
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299416	0	59	0.0	-66.77	409.48	6.90	-59.87
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299416	1	59	0.0	-66.80	409.54	6.92	-59.88
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299417	0	56	0.0	-75.33	388.82	5.92	-69.41
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299417	1	56	0.0	-75.36	388.87	5.94	-69.42
CC1=NC=CN=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299418	0	51	-1.0	-44.55	385.55	3.83	-40.72
CC1=NC=CN=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299418	1	51	-1.0	-44.59	385.61	3.84	-40.75
C1=CC=C(NC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299419	0	53	-1.0	-40.50	405.21	7.10	-33.40
C1=CC=C(NC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299419	1	53	-1.0	-40.47	405.28	7.12	-33.35
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299420	0	47	-1.0	-40.20	376.32	6.71	-33.49
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299420	1	47	-1.0	-40.20	376.39	6.72	-33.48
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299421	0	44	-1.0	-41.55	358.94	6.46	-35.09
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299421	1	44	-1.0	-41.55	358.98	6.48	-35.07
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299422	0	53	-1.0	-41.26	384.33	6.33	-34.93
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299422	1	53	-1.0	-41.22	384.38	6.35	-34.87
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299423	0	50	-1.0	-40.55	373.25	7.28	-33.27
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299423	1	50	-1.0	-40.55	373.31	7.31	-33.24
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299424	0	54	-1.0	-46.65	424.19	7.35	-39.30
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299424	1	54	-1.0	-46.65	424.24	7.37	-39.28
C(CC1=NN=C(N2CCC(OCC3CC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299425	0	55	-1.0	-43.38	422.39	6.86	-36.52
C(CC1=NN=C(N2CCC(OCC3CC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299425	1	55	-1.0	-43.39	422.44	6.88	-36.51
C(OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1)C1CC1	REAL300020299426	0	52	-1.0	-41.90	388.57	5.97	-35.93
C(OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1)C1CC1	REAL300020299426	1	52	-1.0	-41.93	388.63	5.98	-35.95
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299427	0	47	-1.0	-40.53	383.18	5.32	-35.21
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299427	1	47	-1.0	-40.54	383.25	5.33	-35.21
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299428	0	44	-1.0	-45.76	357.81	4.99	-40.77
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299428	1	44	-1.0	-45.80	357.86	5.00	-40.80
C(C1=N[N-]N=N1)C1=NN=C(N2CCSC3(CCCCC3)C2)N1C1CCOC1	REAL300020299429	0	52	-1.0	-40.58	380.46	7.41	-33.17
C(C1=NN=N[N-]1)C1=NN=C(N2CCSC3(CCCCC3)C2)N1C1CCOC1	REAL300020299429	1	52	-1.0	-40.58	380.51	7.42	-33.16
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CC4CCC3C4)CC2)N1C1CCOC1	REAL300020299430	0	58	0.0	-64.83	411.35	8.73	-56.10
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CC4CCC3C4)CC2)N1C1CCOC1	REAL300020299430	1	58	0.0	-64.86	411.43	8.76	-56.10
CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299431	0	54	-1.0	-50.49	410.39	4.18	-46.31
CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299431	1	54	-1.0	-50.47	410.44	4.20	-46.27
CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299432	0	51	-1.0	-44.60	389.56	4.25	-40.35
CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299432	1	51	-1.0	-44.55	389.62	4.27	-40.28
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299433	0	51	-1.0	-50.85	391.56	3.54	-47.31
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299433	1	51	-1.0	-50.88	391.62	3.55	-47.33
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299434	0	48	-1.0	-49.83	366.43	2.63	-47.20
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299434	1	48	-1.0	-49.82	366.49	2.64	-47.18
CN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299435	0	44	-1.0	-40.75	359.34	7.04	-33.71
CN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299435	1	44	-1.0	-40.73	359.40	7.06	-33.67
CN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299436	0	41	-1.0	-44.83	337.08	5.63	-39.20
CN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299436	1	41	-1.0	-44.84	337.02	5.61	-39.23
CC(C)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299437	0	54	-1.0	-43.59	411.39	6.44	-37.15
CC(C)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299437	1	54	-1.0	-43.64	411.45	6.46	-37.18
CC(C)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299438	0	51	-1.0	-46.06	375.33	4.53	-41.53
CC(C)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299438	1	51	-1.0	-46.05	375.39	4.55	-41.50
C1=CC=C2C(=C1)COC21CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299439	0	50	-1.0	-49.70	379.60	6.24	-43.46
C1=CC=C2C(=C1)COC21CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299439	1	50	-1.0	-49.67	379.66	6.25	-43.42
O=C1CCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299440	0	52	-1.0	-52.20	386.65	5.15	-47.05
O=C1CCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299440	1	52	-1.0	-52.18	386.72	5.15	-47.03
COC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299441	0	48	-1.0	-42.99	361.53	3.91	-39.08
COC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299441	1	48	-1.0	-43.00	361.58	3.93	-39.07
COC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299442	0	45	-1.0	-41.82	345.16	4.28	-37.54
COC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299442	1	45	-1.0	-41.81	345.22	4.30	-37.51
COC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299443	0	52	-1.0	-42.96	392.06	7.20	-35.76
COC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299443	1	52	-1.0	-43.01	392.10	7.20	-35.81
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299444	0	51	-1.0	-45.07	385.81	4.90	-40.17
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299444	1	51	-1.0	-45.09	385.87	4.92	-40.17
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299445	0	48	-1.0	-45.20	360.68	4.00	-41.20
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299445	1	48	-1.0	-45.22	360.75	4.00	-41.22
O=S1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299446	0	43	-1.0	-47.96	338.75	3.14	-44.82
O=S1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299446	1	43	-1.0	-48.00	338.81	3.16	-44.84
O=S1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299447	0	40	-1.0	-45.68	325.36	2.70	-42.98
O=S1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299447	1	40	-1.0	-45.67	325.42	2.72	-42.95
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC([NH+]3CCCCC3)C2)N1C1CCOC1	REAL300020299448	0	57	0.0	-60.22	410.77	8.51	-51.71
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC([NH+]3CCCCC3)C2)N1C1CCOC1	REAL300020299448	1	57	0.0	-60.22	410.83	8.54	-51.68
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299449	0	45	-1.0	-44.08	344.49	5.68	-38.40
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299449	1	45	-1.0	-44.06	344.55	5.69	-38.37
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299450	0	42	-1.0	-44.75	319.01	4.77	-39.98
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299450	1	42	-1.0	-44.78	318.96	4.76	-40.02
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020299451	0	49	-1.0	-42.81	384.28	8.97	-33.84
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020299451	1	49	-1.0	-42.75	384.36	8.97	-33.78
CN(CC1CCCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299452	0	51	-1.0	-41.10	378.16	4.78	-36.32
CN(CC1CCCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299452	1	51	-1.0	-41.15	378.27	4.79	-36.36
CN(CC1CCCOC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299453	0	48	-1.0	-40.72	362.29	5.36	-35.36
CN(CC1CCCOC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299453	1	48	-1.0	-40.71	362.35	5.37	-35.34
CC1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299454	0	54	-1.0	-40.60	394.42	8.04	-32.56
CC1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299454	1	54	-1.0	-40.59	394.48	8.05	-32.54
C1=CC=C(CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299455	0	54	-1.0	-45.38	407.66	8.82	-36.56
C1=CC=C(CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299455	1	54	-1.0	-45.37	407.72	8.83	-36.54
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299456	0	43	-1.0	-46.08	348.95	4.49	-41.59
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299456	1	43	-1.0	-46.13	349.00	4.51	-41.62
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299457	0	40	-1.0	-48.44	324.94	2.58	-45.86
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299457	1	40	-1.0	-48.43	324.99	2.58	-45.85
N#CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCO1	REAL300020299458	0	47	-1.0	-45.10	381.80	5.92	-39.18
N#CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCO1	REAL300020299458	1	47	-1.0	-45.08	381.98	5.92	-39.16
CN(C)C(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299459	0	53	-1.0	-54.04	396.69	2.24	-51.80
CN(C)C(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299459	1	53	-1.0	-54.03	396.73	2.24	-51.79
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299460	0	47	-1.0	-44.21	365.36	4.34	-39.87
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299460	1	47	-1.0	-44.20	365.28	4.34	-39.86
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299461	0	44	-1.0	-48.56	348.39	4.05	-44.51
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299461	1	44	-1.0	-48.53	348.34	4.03	-44.50
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299462	0	50	-1.0	-43.46	387.99	5.23	-38.23
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299462	1	50	-1.0	-43.45	388.06	5.24	-38.21
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299463	0	47	-1.0	-45.03	371.94	4.96	-40.07
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299463	1	47	-1.0	-45.08	372.01	4.97	-40.11
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299464	0	46	-1.0	-46.63	379.28	6.15	-40.48
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299464	1	46	-1.0	-46.63	379.33	6.16	-40.47
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299465	0	54	-1.0	-43.43	416.62	6.64	-36.79
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299465	1	54	-1.0	-43.42	416.69	6.65	-36.77
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299466	0	51	-1.0	-47.32	391.13	6.67	-40.65
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299466	1	51	-1.0	-47.36	391.19	6.69	-40.67
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299467	0	49	-1.0	-44.41	375.93	5.69	-38.72
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299467	1	49	-1.0	-44.43	375.98	5.70	-38.73
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299468	0	46	-1.0	-46.29	352.87	4.18	-42.11
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299468	1	46	-1.0	-46.29	352.91	4.19	-42.10
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299469	0	47	-1.0	-41.26	348.45	5.07	-36.19
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299469	1	47	-1.0	-41.21	348.53	5.07	-36.14
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299470	0	44	-1.0	-41.77	330.26	5.24	-36.53
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299470	1	44	-1.0	-41.77	330.22	5.21	-36.56
CC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299471	0	51	-1.0	-39.98	393.91	7.51	-32.47
CC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299471	1	51	-1.0	-39.90	393.91	7.48	-32.42
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299472	0	53	-1.0	-41.14	389.56	6.80	-34.34
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299472	1	53	-1.0	-41.17	389.62	6.81	-34.36
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299473	0	50	-1.0	-44.98	368.41	6.48	-38.50
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299473	1	50	-1.0	-45.00	368.47	6.49	-38.51
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299474	0	51	-1.0	-43.10	384.56	4.65	-38.45
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299474	1	51	-1.0	-43.12	384.62	4.66	-38.46
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299475	0	48	-1.0	-50.08	362.65	4.24	-45.84
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299475	1	48	-1.0	-50.08	362.73	4.24	-45.84
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299476	0	51	-1.0	-41.55	376.67	7.71	-33.84
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299476	1	51	-1.0	-41.55	376.73	7.72	-33.83
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCC3)C2)N1C1CCOC1	REAL300020299477	0	48	-1.0	-43.37	358.32	6.25	-37.12
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCC3)C2)N1C1CCOC1	REAL300020299477	1	48	-1.0	-43.39	358.38	6.25	-37.14
C[C@@H]1CN(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H](C)O1	REAL300020299478	0	56	-1.0	-43.59	409.66	3.07	-40.52
C[C@@H]1CN(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)O1	REAL300020299478	1	56	-1.0	-43.61	409.72	3.08	-40.53
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)O1	REAL300020299478	1	57	0.0	-68.35	411.46	5.30	-63.05
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)O1	REAL300020299478	1	57	0.0	-65.93	416.16	5.23	-60.70
CC1=CC=CC=C1C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299479	0	52	-1.0	-46.86	396.44	6.44	-40.42
CC1=CC=CC=C1C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299479	1	52	-1.0	-46.87	396.49	6.44	-40.43
OC1C2CCCC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020299480	0	52	-1.0	-42.87	376.98	5.26	-37.61
OC1C2CCCC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020299480	1	52	-1.0	-42.83	377.04	5.27	-37.56
OC1C2CCCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020299481	0	49	-1.0	-45.80	354.85	4.80	-41.00
OC1C2CCCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020299481	1	49	-1.0	-45.78	355.03	4.80	-40.98
CO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299482	0	45	-1.0	-46.06	344.92	3.36	-42.70
CO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299482	1	45	-1.0	-46.09	344.98	3.37	-42.72
CO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299483	0	42	-1.0	-42.56	313.05	1.91	-40.65
CO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299483	1	42	-1.0	-41.23	309.95	1.98	-39.25
CO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299484	0	49	-1.0	-41.41	390.84	5.45	-35.96
CO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299484	1	49	-1.0	-41.43	390.86	5.43	-36.00
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020299485	0	50	-1.0	-41.19	353.14	5.11	-36.08
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299485	1	50	-1.0	-41.20	353.20	5.13	-36.07
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020299486	0	47	-1.0	-45.12	333.62	4.66	-40.46
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299486	1	47	-1.0	-45.13	333.68	4.66	-40.47
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1C	REAL300020299487	0	54	-1.0	-40.82	404.63	8.93	-31.89
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1C	REAL300020299487	1	54	-1.0	-40.77	404.67	8.92	-31.85
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299488	0	45	-1.0	-43.98	346.65	3.19	-40.79
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299488	1	45	-1.0	-44.04	346.71	3.20	-40.84
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299489	0	42	-1.0	-49.60	320.10	3.02	-46.58
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299489	1	42	-1.0	-49.62	320.15	3.02	-46.60
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299490	0	49	-1.0	-45.47	380.37	6.68	-38.79
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299490	1	49	-1.0	-45.44	380.42	6.67	-38.77
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299491	0	50	-1.0	-40.24	376.66	7.68	-32.56
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299491	1	50	-1.0	-40.18	376.72	7.70	-32.48
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299492	0	47	-1.0	-41.34	355.06	6.89	-34.45
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299492	1	47	-1.0	-41.32	355.12	6.92	-34.40
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299493	0	54	-1.0	-40.92	403.75	9.23	-31.69
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299493	1	54	-1.0	-40.87	403.76	9.23	-31.64
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C)C1	REAL300020299494	0	53	-1.0	-40.47	385.69	6.88	-33.59
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C)C1	REAL300020299494	1	53	-1.0	-40.47	385.75	6.89	-33.58
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C)C1	REAL300020299495	0	50	-1.0	-44.93	367.69	6.59	-38.34
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C)C1	REAL300020299495	1	50	-1.0	-44.86	367.76	6.59	-38.27
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299496	0	53	-1.0	-41.04	403.06	7.33	-33.71
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299496	1	53	-1.0	-41.07	403.16	7.33	-33.74
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299497	0	50	-1.0	-45.00	386.06	7.17	-37.83
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299497	1	50	-1.0	-45.02	386.11	7.19	-37.83
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020299498	0	48	-1.0	-39.84	375.81	7.41	-32.43
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020299498	1	48	-1.0	-39.83	375.87	7.43	-32.40
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020299499	0	45	-1.0	-43.79	351.38	5.67	-38.12
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020299499	1	45	-1.0	-43.78	351.43	5.68	-38.10
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020299500	0	47	-1.0	-41.43	340.09	5.04	-36.39
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299500	1	47	-1.0	-41.39	340.15	5.04	-36.35
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299501	0	44	-1.0	-45.32	328.29	4.55	-40.77
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020299501	1	44	-1.0	-45.38	328.24	4.55	-40.83
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1C	REAL300020299502	0	51	-1.0	-42.10	381.80	7.42	-34.68
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1C	REAL300020299502	1	51	-1.0	-42.10	381.83	7.42	-34.68
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020299503	0	48	-1.0	-40.96	368.29	6.55	-34.41
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020299503	1	48	-1.0	-40.92	368.35	6.57	-34.35
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020299504	0	45	-1.0	-45.05	348.43	6.36	-38.69
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020299504	1	45	-1.0	-45.07	348.48	6.38	-38.69
C(CC1=NN=C(N2CCC3OCCCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299505	0	52	-1.0	-42.24	385.59	6.49	-35.75
C(CC1=NN=C(N2CCC3OCCCC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299505	1	52	-1.0	-42.26	385.64	6.50	-35.76
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3OCCCC3C2)N1C1CCOC1	REAL300020299506	0	49	-1.0	-42.07	366.87	4.65	-37.42
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3OCCCC3C2)N1C1CCOC1	REAL300020299506	1	49	-1.0	-42.04	366.93	4.67	-37.37
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299507	0	51	-1.0	-41.24	377.62	4.24	-37.00
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299507	1	51	-1.0	-41.21	377.68	4.25	-36.96
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299508	0	48	-1.0	-43.86	358.42	3.81	-40.05
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299508	1	48	-1.0	-43.86	358.47	3.82	-40.04
CCCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299509	0	56	-1.0	-41.85	403.28	7.72	-34.13
CCCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299509	1	56	-1.0	-41.87	403.34	7.73	-34.14
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299510	0	53	-1.0	-47.05	382.85	7.64	-39.41
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299510	1	53	-1.0	-47.04	382.90	7.66	-39.38
CCCC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299511	0	54	-1.0	-45.46	415.46	4.45	-41.01
CCCC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299511	1	54	-1.0	-45.46	415.52	4.47	-40.99
O=C(NC1CC1)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299512	0	52	-1.0	-53.95	403.13	4.38	-49.57
O=C(NC1CC1)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299512	1	52	-1.0	-53.95	403.19	4.40	-49.55
CCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299513	0	54	-1.0	-53.93	414.52	4.27	-49.66
CCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299513	1	54	-1.0	-53.95	414.58	4.29	-49.66
CNC(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299514	0	47	-1.0	-51.26	363.87	1.95	-49.31
CNC(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299514	1	47	-1.0	-51.23	363.97	1.96	-49.27
CNC(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299515	0	44	-1.0	-53.96	346.87	1.80	-52.16
CNC(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299515	1	44	-1.0	-53.99	346.92	1.81	-52.18
CNC(=O)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299516	0	51	-1.0	-51.42	397.81	5.27	-46.15
CNC(=O)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299516	1	51	-1.0	-51.35	397.52	5.20	-46.15
CN(CC1=CSC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299517	0	44	-1.0	-40.33	352.17	5.52	-34.81
CN(CC1=CSC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299517	1	44	-1.0	-40.37	352.24	5.53	-34.84
CN(CC1=CSC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299518	0	41	-1.0	-42.51	336.16	5.31	-37.20
CN(CC1=CSC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299518	1	41	-1.0	-42.52	336.11	5.30	-37.22
CS(=O)(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299519	0	49	-1.0	-54.82	380.45	0.21	-54.61
CS(=O)(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299519	1	49	-1.0	-54.86	380.51	0.22	-54.64
CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299520	0	53	-1.0	-41.84	394.66	6.71	-35.13
CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299520	1	53	-1.0	-41.83	394.72	6.73	-35.10
CS(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299521	0	49	-1.0	-49.83	387.73	1.74	-48.09
CS(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299521	1	49	-1.0	-49.81	387.79	1.75	-48.06
CS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299522	0	46	-1.0	-50.80	361.51	0.74	-50.06
CS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299522	1	46	-1.0	-50.84	361.58	0.74	-50.10
C1=CN=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)C=N1	REAL300020299523	0	51	-1.0	-46.88	393.62	3.75	-43.13
C1=CN=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)C=N1	REAL300020299523	1	51	-1.0	-46.89	393.57	3.74	-43.15
C1=CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=N1	REAL300020299524	0	48	-1.0	-43.26	365.06	2.87	-40.39
C1=CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=N1	REAL300020299524	1	48	-1.0	-43.27	365.00	2.87	-40.40
C1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020299525	0	54	-1.0	-44.60	408.98	8.64	-35.96
C1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020299525	1	54	-1.0	-44.63	409.04	8.65	-35.98
C1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020299526	0	51	-1.0	-45.32	383.85	7.73	-37.59
C1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020299526	1	51	-1.0	-45.30	383.92	7.74	-37.56
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299527	0	50	-1.0	-49.93	386.95	8.89	-41.04
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299527	1	50	-1.0	-49.93	386.90	8.88	-41.05
C(CC1=NN=C(N2CCCCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299528	0	44	-1.0	-40.72	328.30	4.96	-35.76
C(CC1=NN=C(N2CCCCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299528	1	44	-1.0	-40.76	328.37	4.96	-35.80
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC2)N1C1CCOC1	REAL300020299529	0	41	-1.0	-44.61	312.38	4.80	-39.81
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC2)N1C1CCOC1	REAL300020299529	1	41	-1.0	-44.63	312.33	4.79	-39.84
C1=CC(C2=NN=C(N3CCCCC3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020299530	0	48	-1.0	-43.15	366.78	8.90	-34.25
C1=CC(C2=NN=C(N3CCCCC3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020299530	1	48	-1.0	-43.14	366.82	8.91	-34.23
NC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299531	0	51	-1.0	-50.76	385.58	2.57	-48.19
NC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299531	1	51	-1.0	-50.75	385.64	2.59	-48.16
NC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299532	0	48	-1.0	-51.04	364.76	2.63	-48.41
NC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299532	1	48	-1.0	-51.06	364.81	2.66	-48.40
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](CC3CCOC3)CC2)N1C1CCOC1	REAL300020299533	0	55	0.0	-70.70	396.01	5.07	-65.63
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](CC3CCOC3)CC2)N1C1CCOC1	REAL300020299533	1	55	0.0	-70.64	396.06	5.07	-65.57
CN(CCOCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299534	0	51	-1.0	-42.31	391.34	5.32	-36.99
CN(CCOCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299534	1	51	-1.0	-42.31	391.41	5.33	-36.98
CN(CCOCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299535	0	48	-1.0	-45.33	374.16	5.15	-40.18
CN(CCOCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299535	1	48	-1.0	-45.38	374.22	5.17	-40.21
COCCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299536	0	54	-1.0	-44.32	414.72	3.60	-40.72
COCCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299536	1	54	-1.0	-44.30	414.82	3.61	-40.69
COCCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299537	0	51	-1.0	-47.17	397.68	3.43	-43.74
COCCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299537	1	51	-1.0	-47.20	397.73	3.45	-43.75
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299538	0	54	-1.0	-42.16	411.49	9.41	-32.75
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299538	1	54	-1.0	-42.16	411.55	9.43	-32.73
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299539	0	51	-1.0	-47.65	392.52	8.24	-39.41
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299539	1	51	-1.0	-47.65	392.57	8.26	-39.39
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299540	0	44	-1.0	-45.01	368.93	7.04	-37.97
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299540	1	44	-1.0	-45.02	368.97	7.06	-37.96
C(CC1=NN=C(N2CCC3(CCOC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299541	0	49	-1.0	-42.53	354.05	3.13	-39.40
C(CC1=NN=C(N2CCC3(CCOC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299541	1	49	-1.0	-42.52	354.11	3.15	-39.37
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCOC3)C2)N1C1CCOC1	REAL300020299542	0	46	-1.0	-51.05	337.23	2.86	-48.19
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCOC3)C2)N1C1CCOC1	REAL300020299542	1	46	-1.0	-51.07	337.29	2.86	-48.21
CN(C[C@H]1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299543	0	48	-1.0	-44.89	366.62	4.12	-40.77
CN(C[C@H]1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299543	1	48	-1.0	-44.89	366.68	4.14	-40.75
CN(C[C@H]1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299544	0	45	-1.0	-43.62	341.29	4.05	-39.57
CN(C[C@H]1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299544	1	45	-1.0	-43.63	341.35	4.06	-39.57
CN(C[C@H]1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299545	0	52	-1.0	-42.14	402.88	7.05	-35.09
CN(C[C@H]1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299545	1	52	-1.0	-42.14	402.91	7.05	-35.09
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299546	0	51	-1.0	-41.41	381.96	4.71	-36.70
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299546	1	51	-1.0	-41.41	382.02	4.72	-36.69
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299547	0	48	-1.0	-41.94	363.93	4.74	-37.20
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299547	1	48	-1.0	-41.95	364.00	4.75	-37.20
CC(C)N1C(=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020299548	0	54	-1.0	-48.48	378.08	3.92	-44.56
CC(C)N1C(=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020299548	1	54	-1.0	-48.46	378.14	3.94	-44.52
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299549	0	49	-1.0	-42.79	368.98	1.89	-40.90
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299549	1	49	-1.0	-42.78	369.04	1.90	-40.88
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299550	0	46	-1.0	-47.22	356.01	2.61	-44.61
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299550	1	46	-1.0	-47.20	356.07	2.62	-44.58
CN1C=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=O)C=N1	REAL300020299551	0	49	-1.0	-61.12	378.73	3.29	-57.83
CN1C=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=O)C=N1	REAL300020299551	1	49	-1.0	-61.10	378.68	3.27	-57.83
C(CC1=NN=C(N2CCOC3(CCOC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299552	0	50	-1.0	-42.60	370.69	2.36	-40.24
C(CC1=NN=C(N2CCOC3(CCOC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299552	1	50	-1.0	-42.59	370.75	2.38	-40.21
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCOC3)C2)N1C1CCOC1	REAL300020299553	0	47	-1.0	-45.17	346.95	1.63	-43.54
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCOC3)C2)N1C1CCOC1	REAL300020299553	1	47	-1.0	-45.14	347.01	1.65	-43.49
COCCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299554	0	55	-1.0	-41.84	419.92	5.09	-36.75
COCCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299554	1	55	-1.0	-41.83	419.98	5.12	-36.71
FC(F)(F)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299555	0	45	-1.0	-43.45	365.28	5.08	-38.37
FC(F)(F)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299555	1	45	-1.0	-43.46	365.33	5.09	-38.37
FC(F)(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299556	0	42	-1.0	-44.90	334.16	2.60	-42.30
FC(F)(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299556	1	42	-1.0	-44.91	334.21	2.61	-42.30
CN(CC1=NC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299557	0	43	-1.0	-39.48	363.39	4.15	-35.33
CN(CC1=NC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299557	1	43	-1.0	-39.47	363.45	4.17	-35.30
CN(CC1=NC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299558	0	40	-1.0	-45.01	332.50	3.85	-41.16
CN(CC1=NC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299558	1	40	-1.0	-45.02	332.46	3.84	-41.18
CCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299559	0	51	-1.0	-47.49	374.69	4.77	-42.72
CCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299559	1	51	-1.0	-47.48	374.75	4.79	-42.69
CCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299560	0	48	-1.0	-44.04	356.35	3.57	-40.47
CCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299560	1	48	-1.0	-44.07	356.42	3.59	-40.48
CN(CC1CCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299561	0	48	-1.0	-42.05	367.38	5.16	-36.89
CN(CC1CCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299561	1	48	-1.0	-42.09	367.44	5.17	-36.92
CN(CC1CCOC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299562	0	45	-1.0	-43.70	342.82	3.45	-40.25
CN(CC1CCOC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299562	1	45	-1.0	-43.69	342.88	3.47	-40.22
CN(CC1CCOC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299563	0	52	-1.0	-44.27	398.51	6.47	-37.80
CN(CC1CCOC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299563	1	52	-1.0	-44.20	398.55	6.47	-37.73
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)=C1	REAL300020299564	0	54	-1.0	-41.69	404.23	8.15	-33.54
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)=C1	REAL300020299564	1	54	-1.0	-41.65	404.29	8.16	-33.49
CC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)=C1	REAL300020299565	0	51	-1.0	-46.44	383.67	7.65	-38.79
CC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)=C1	REAL300020299565	1	51	-1.0	-46.38	383.71	7.67	-38.71
CCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299566	0	54	-1.0	-44.86	415.03	3.96	-40.90
CCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299566	1	54	-1.0	-44.85	415.13	3.96	-40.89
CCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299567	0	51	-1.0	-47.04	397.99	3.79	-43.25
CCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299567	1	51	-1.0	-47.00	398.04	3.81	-43.19
C1=COC(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCO2)=C1	REAL300020299568	0	49	-1.0	-42.98	376.39	3.99	-38.99
C1=COC(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCO2)=C1	REAL300020299568	1	49	-1.0	-42.96	376.46	4.01	-38.95
C1=COC(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCO2)=C1	REAL300020299569	0	46	-1.0	-48.36	366.26	4.10	-44.26
C1=COC(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCO2)=C1	REAL300020299569	1	46	-1.0	-48.36	366.31	4.09	-44.27
CN(CCCOC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299570	0	54	-1.0	-42.58	414.98	7.03	-35.55
CN(CCCOC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299570	1	54	-1.0	-42.59	415.04	7.04	-35.55
CN(CCCOC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299571	0	51	-1.0	-46.59	398.64	6.88	-39.71
CN(CCCOC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299571	1	51	-1.0	-46.59	398.69	6.89	-39.70
N#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299572	0	45	-1.0	-48.34	351.24	5.46	-42.88
N#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299572	1	45	-1.0	-48.33	351.30	5.48	-42.85
N#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299573	0	42	-1.0	-43.44	330.41	5.53	-37.91
N#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299573	1	42	-1.0	-43.46	330.47	5.55	-37.91
N#CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020299574	0	49	-1.0	-44.69	395.02	8.00	-36.69
N#CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020299574	1	49	-1.0	-44.66	395.00	7.99	-36.67
O=C1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCN12	REAL300020299575	0	49	-1.0	-45.93	373.76	5.39	-40.54
O=C1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCN12	REAL300020299575	1	49	-1.0	-45.89	373.81	5.41	-40.48
O=C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN12	REAL300020299576	0	46	-1.0	-45.30	356.18	3.87	-41.43
O=C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN12	REAL300020299576	1	46	-1.0	-45.31	356.23	3.89	-41.42
NC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299577	0	46	-1.0	-48.10	360.52	0.54	-47.56
NC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299577	1	46	-1.0	-48.07	360.60	0.55	-47.52
NC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299578	0	43	-1.0	-49.05	342.50	0.58	-48.47
NC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299578	1	43	-1.0	-49.09	342.58	0.59	-48.50
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299579	0	48	-1.0	-42.04	359.18	4.25	-37.79
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299579	1	48	-1.0	-42.06	359.23	4.27	-37.79
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299580	0	45	-1.0	-46.53	338.44	4.20	-42.33
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299580	1	45	-1.0	-46.55	338.49	4.21	-42.34
CC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCO1	REAL300020299581	0	52	-1.0	-41.55	393.11	7.08	-34.47
CC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCO1	REAL300020299581	1	52	-1.0	-41.55	393.12	7.07	-34.48
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299582	0	50	-1.0	-40.24	376.66	7.68	-32.56
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299582	1	50	-1.0	-40.18	376.72	7.70	-32.48
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299583	0	47	-1.0	-41.34	355.06	6.89	-34.45
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299583	1	47	-1.0	-41.32	355.12	6.92	-34.40
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299584	0	54	-1.0	-40.92	403.75	9.23	-31.69
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299584	1	54	-1.0	-40.87	403.76	9.23	-31.64
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299585	0	49	-1.0	-48.62	377.89	4.20	-44.42
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299585	1	49	-1.0	-48.63	377.94	4.22	-44.41
CN(CC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299586	0	40	-1.0	-43.03	320.40	3.94	-39.09
CN(CC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299586	1	40	-1.0	-43.06	320.46	3.95	-39.11
CN(CC(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299587	0	37	-1.0	-46.70	299.49	3.91	-42.79
CN(CC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299587	1	37	-1.0	-46.71	299.54	3.92	-42.79
CN(CC(F)(F)F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299588	0	44	-1.0	-42.48	357.58	5.36	-37.12
CN(CC(F)(F)F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299588	1	44	-1.0	-42.49	357.63	5.34	-37.15
CN(CCCCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299589	0	56	-1.0	-42.78	428.00	9.00	-33.78
CN(CCCCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299589	1	56	-1.0	-42.76	428.07	9.02	-33.74
CN(CCCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299590	0	53	-1.0	-46.66	411.66	8.86	-37.80
CN(CCCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299590	1	53	-1.0	-46.63	411.71	8.87	-37.76
CC(C#N)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299591	0	44	-1.0	-46.46	344.18	4.98	-41.48
CC(C#N)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299591	1	44	-1.0	-46.49	344.24	5.00	-41.49
CC(C#N)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299592	0	41	-1.0	-48.62	324.20	4.93	-43.69
CC(C#N)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299592	1	41	-1.0	-48.64	324.15	4.92	-43.72
CC(C#N)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299593	0	48	-1.0	-43.98	385.17	7.32	-36.66
CC(C#N)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299593	1	48	-1.0	-43.97	385.20	7.31	-36.66
C(CC1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299594	0	57	0.0	-64.93	418.00	8.61	-56.32
C(CC1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299594	1	57	0.0	-64.91	418.05	8.62	-56.29
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1C1CCOC1	REAL300020299595	0	54	0.0	-59.67	395.43	6.73	-52.94
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC([NH+]3CCCC3)C2)N1C1CCOC1	REAL300020299595	1	54	0.0	-59.68	395.47	6.74	-52.94
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299596	0	47	-1.0	-45.29	375.80	7.51	-37.78
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299596	1	47	-1.0	-45.27	375.72	7.50	-37.77
NC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299597	0	51	-1.0	-44.93	383.39	2.28	-42.65
NC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299597	1	51	-1.0	-44.98	383.44	2.31	-42.67
NC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299598	0	48	-1.0	-45.35	368.20	1.93	-43.42
NC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299598	1	48	-1.0	-45.35	368.26	1.93	-43.42
CN1N=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=CC1=O	REAL300020299599	0	50	-1.0	-45.61	390.29	4.30	-41.31
CN1N=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=CC1=O	REAL300020299599	1	50	-1.0	-45.54	390.34	4.32	-41.22
CN1N=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=CC1=O	REAL300020299600	0	47	-1.0	-55.75	360.99	2.94	-52.81
CN1N=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=CC1=O	REAL300020299600	1	47	-1.0	-55.75	361.04	2.95	-52.80
C(CC1=NN=C(N2CCOC3(CCOCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299601	0	53	-1.0	-42.82	390.11	3.79	-39.03
C(CC1=NN=C(N2CCOC3(CCOCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299601	1	53	-1.0	-42.83	390.16	3.80	-39.03
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCOCC3)C2)N1C1CCOC1	REAL300020299602	0	50	-1.0	-42.48	366.73	3.18	-39.30
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCOCC3)C2)N1C1CCOC1	REAL300020299602	1	50	-1.0	-42.52	366.78	3.20	-39.32
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2(CCOCC2)O1	REAL300020299603	0	53	-1.0	-43.48	390.26	3.95	-39.53
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2(CCOCC2)O1	REAL300020299603	1	53	-1.0	-43.49	390.30	3.95	-39.54
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2(CCCOC2)O1	REAL300020299604	0	53	-1.0	-41.28	384.59	4.15	-37.13
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2(CCCOC2)O1	REAL300020299604	1	53	-1.0	-41.35	384.72	4.17	-37.18
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2(CCOC2)O1	REAL300020299605	0	53	-1.0	-42.83	395.75	3.43	-39.40
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2(CCOC2)O1	REAL300020299605	1	53	-1.0	-42.83	395.81	3.45	-39.38
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2(CCOC2)O1	REAL300020299606	0	50	-1.0	-42.80	378.70	3.87	-38.93
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2(CCOC2)O1	REAL300020299606	1	50	-1.0	-42.81	378.76	3.90	-38.91
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(OC3CCCC3)CC2)N1C1CCOC1	REAL300020299607	0	55	-1.0	-44.66	403.65	6.21	-38.45
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(OC3CCCC3)CC2)N1C1CCOC1	REAL300020299607	1	55	-1.0	-44.67	403.72	6.21	-38.46
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299608	0	52	-1.0	-50.74	395.57	6.60	-44.14
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299608	1	52	-1.0	-50.71	395.63	6.60	-44.11
CN(CCC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299609	0	56	-1.0	-41.09	415.00	8.89	-32.20
CN(CCC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299609	1	56	-1.0	-41.12	415.06	8.91	-32.21
CN(CCC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299610	0	53	-1.0	-44.88	389.43	7.46	-37.42
CN(CCC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299610	1	53	-1.0	-44.87	389.48	7.47	-37.40
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1C	REAL300020299611	0	54	-1.0	-41.55	411.49	6.62	-34.93
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1C	REAL300020299611	1	54	-1.0	-41.56	411.57	6.63	-34.93
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1C	REAL300020299612	0	51	-1.0	-45.38	394.55	6.29	-39.09
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1C	REAL300020299612	1	51	-1.0	-45.44	394.63	6.31	-39.13
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299613	0	54	-1.0	-40.79	400.26	8.11	-32.68
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299613	1	54	-1.0	-40.77	400.33	8.13	-32.64
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299614	0	51	-1.0	-47.05	383.25	7.84	-39.21
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299614	1	51	-1.0	-47.03	383.31	7.85	-39.18
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCN1	REAL300020299615	0	42	-1.0	-45.47	318.67	0.61	-44.86
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCN1	REAL300020299615	1	42	-1.0	-45.42	318.73	0.63	-44.79
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCN1	REAL300020299616	0	39	-1.0	-55.41	300.02	-0.14	-55.55
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCN1	REAL300020299616	1	39	-1.0	-55.44	299.96	-0.15	-55.59
O=C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCN1	REAL300020299617	0	46	-1.0	-45.45	366.55	4.67	-40.78
O=C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCN1	REAL300020299617	1	46	-1.0	-45.38	366.60	4.65	-40.73
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020299618	0	51	-1.0	-49.51	402.78	4.76	-44.75
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020299618	1	51	-1.0	-49.52	402.84	4.77	-44.75
CCNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299619	0	53	-1.0	-47.28	405.19	4.75	-42.53
CCNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299619	1	53	-1.0	-47.29	405.24	4.77	-42.52
CCNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299620	0	50	-1.0	-46.35	374.83	3.02	-43.33
CCNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299620	1	50	-1.0	-46.39	374.89	3.03	-43.36
CNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299621	0	51	-1.0	-49.72	389.73	3.37	-46.35
CNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299621	1	51	-1.0	-49.77	389.78	3.38	-46.39
CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299622	0	48	-1.0	-52.13	364.60	2.46	-49.67
CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299622	1	48	-1.0	-52.14	364.66	2.47	-49.67
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299623	0	50	-1.0	-46.61	386.61	5.83	-40.78
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299623	1	50	-1.0	-46.63	386.67	5.85	-40.78
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299624	0	47	-1.0	-48.20	361.48	4.93	-43.27
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299624	1	47	-1.0	-48.17	361.55	4.93	-43.24
CN(CCOC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299625	0	51	-1.0	-41.96	393.56	6.20	-35.76
CN(CCOC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299625	1	51	-1.0	-41.95	393.62	6.20	-35.75
CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299626	0	48	-1.0	-46.47	370.31	6.59	-39.88
CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299626	1	48	-1.0	-46.48	370.36	6.61	-39.87
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020299627	0	54	-1.0	-41.09	418.02	6.86	-34.23
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020299627	1	54	-1.0	-41.09	418.21	6.88	-34.21
CCOC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020299628	0	51	-1.0	-45.45	397.68	6.70	-38.75
CCOC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020299628	1	51	-1.0	-45.41	397.73	6.72	-38.69
COC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299629	0	51	-1.0	-43.59	395.23	5.97	-37.62
COC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299629	1	51	-1.0	-43.60	395.29	5.99	-37.61
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299630	0	48	-1.0	-48.15	374.63	5.65	-42.50
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299630	1	48	-1.0	-48.12	374.58	5.63	-42.49
CCC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020299631	0	53	-1.0	-40.33	409.54	8.08	-32.25
CCC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020299631	1	53	-1.0	-40.32	409.74	8.10	-32.22
CCC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020299632	0	50	-1.0	-44.92	389.27	7.93	-36.99
CCC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020299632	1	50	-1.0	-44.96	389.22	7.92	-37.04
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299633	0	48	-1.0	-41.64	382.55	7.17	-34.47
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299633	1	48	-1.0	-41.67	382.61	7.19	-34.48
CN(CCOC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299634	0	48	-1.0	-48.69	383.08	6.23	-42.46
CN(CCOC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299634	1	48	-1.0	-48.67	383.14	6.25	-42.42
CC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299635	0	54	-1.0	-42.20	413.64	6.96	-35.24
CC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299635	1	54	-1.0	-42.14	413.71	6.96	-35.18
CC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299636	0	51	-1.0	-42.69	399.20	7.37	-35.32
CC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299636	1	51	-1.0	-42.67	399.26	7.40	-35.27
CS(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299637	0	49	-1.0	-49.83	387.73	1.74	-48.09
CS(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299637	1	49	-1.0	-49.81	387.79	1.75	-48.06
CS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299638	0	46	-1.0	-50.80	361.51	0.74	-50.06
CS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299638	1	46	-1.0	-50.84	361.58	0.74	-50.10
C1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)N=C1	REAL300020299639	0	52	-1.0	-45.31	392.70	3.76	-41.55
C1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)N=C1	REAL300020299639	1	52	-1.0	-45.34	392.75	3.77	-41.57
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=C1	REAL300020299640	0	53	-1.0	-45.42	396.30	5.85	-39.57
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=C1	REAL300020299640	1	53	-1.0	-45.44	396.36	5.86	-39.58
C1=COC(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)=C1	REAL300020299641	0	53	-1.0	-45.94	406.53	4.60	-41.34
C1=COC(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)=C1	REAL300020299641	1	53	-1.0	-45.98	406.59	4.62	-41.36
C1=COC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=C1	REAL300020299642	0	50	-1.0	-44.20	378.43	3.75	-40.45
C1=COC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=C1	REAL300020299642	1	50	-1.0	-44.22	378.49	3.77	-40.45
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299643	0	48	-1.0	-43.94	364.55	4.22	-39.72
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299643	1	48	-1.0	-43.96	364.61	4.23	-39.73
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299644	0	45	-1.0	-45.04	339.42	3.31	-41.73
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299644	1	45	-1.0	-44.99	339.49	3.32	-41.67
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020299645	0	52	-1.0	-44.21	398.53	6.92	-37.29
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020299645	1	52	-1.0	-44.20	398.55	6.91	-37.29
FC(F)(F)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299646	0	46	-1.0	-46.53	352.84	2.56	-43.97
FC(F)(F)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299646	1	46	-1.0	-46.53	352.94	2.56	-43.97
COCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299647	0	53	-1.0	-44.42	393.76	2.68	-41.74
COCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299647	1	53	-1.0	-44.44	393.81	2.70	-41.74
COCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299647	1	54	0.0	-73.72	401.18	4.88	-68.84
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299648	0	50	-1.0	-46.45	374.76	1.66	-44.79
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299648	1	50	-1.0	-46.46	374.81	1.68	-44.78
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299648	1	51	0.0	-65.10	372.58	4.10	-61.00
COC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299649	0	50	-1.0	-47.59	386.45	6.66	-40.93
COC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299649	1	50	-1.0	-47.66	386.51	6.67	-40.99
COC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299650	0	47	-1.0	-49.29	368.43	5.14	-44.15
COC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299650	1	47	-1.0	-49.27	368.49	5.15	-44.12
CCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299651	0	47	-1.0	-42.25	359.55	3.73	-38.52
CCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299651	1	47	-1.0	-42.27	359.65	3.73	-38.54
CCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299652	0	44	-1.0	-45.36	342.51	3.56	-41.80
CCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299652	1	44	-1.0	-45.35	342.56	3.58	-41.77
CCOCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299653	0	51	-1.0	-42.25	393.45	7.04	-35.21
CCOCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299653	1	51	-1.0	-42.29	393.15	6.97	-35.32
NC(=O)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299654	0	54	-1.0	-50.80	408.81	3.29	-47.51
NC(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299654	1	54	-1.0	-50.77	408.87	3.31	-47.46
NC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299655	0	51	-1.0	-47.11	387.16	3.34	-43.77
NC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299655	1	51	-1.0	-47.08	387.21	3.37	-43.71
CC(C)OCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299656	0	56	-1.0	-46.39	416.89	3.40	-42.99
CC(C)OCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299656	1	56	-1.0	-46.39	416.93	3.41	-42.98
CC(C)OCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299656	1	57	0.0	-65.35	414.72	5.81	-59.54
COCCC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020299657	0	49	-1.0	-43.26	394.53	2.04	-41.22
COCCC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020299657	1	49	-1.0	-43.22	394.58	2.05	-41.17
CN(CCC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299658	0	54	-1.0	-41.79	396.93	5.21	-36.58
CN(CCC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299658	1	54	-1.0	-41.83	396.99	5.23	-36.60
CN(CCC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299659	0	51	-1.0	-45.93	380.59	5.06	-40.87
CN(CCC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299659	1	51	-1.0	-45.93	380.64	5.08	-40.85
C(CC1=NN=C(N2CCOC3(CCCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299660	0	52	-1.0	-41.42	388.55	6.65	-34.77
C(CC1=NN=C(N2CCOC3(CCCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299660	1	52	-1.0	-41.43	388.61	6.67	-34.76
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCCC3)C2)N1C1CCOC1	REAL300020299661	0	49	-1.0	-42.89	364.81	4.76	-38.13
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCCC3)C2)N1C1CCOC1	REAL300020299661	1	49	-1.0	-42.87	364.87	4.78	-38.09
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCOCC3)CC2)N1C1CCOC1	REAL300020299662	0	55	0.0	-66.22	390.42	4.90	-61.32
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCOCC3)CC2)N1C1CCOC1	REAL300020299662	1	55	0.0	-66.23	390.47	4.91	-61.32
COC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299663	0	52	-1.0	-48.84	394.13	6.59	-42.25
COC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299663	1	52	-1.0	-48.91	394.20	6.61	-42.30
C1=CC=C(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299664	0	54	-1.0	-40.44	403.08	8.19	-32.25
C1=CC=C(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299664	1	54	-1.0	-40.47	403.14	8.21	-32.26
C1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299665	0	51	-1.0	-47.09	386.06	7.93	-39.16
C1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299665	1	51	-1.0	-47.08	386.12	7.94	-39.14
CN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299666	0	46	-1.0	-55.36	367.92	1.19	-54.17
CN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299666	1	46	-1.0	-55.32	367.96	1.20	-54.12
CN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299667	0	43	-1.0	-58.01	350.89	1.04	-56.97
CN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299667	1	43	-1.0	-58.01	350.95	1.05	-56.96
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299668	0	46	-1.0	-45.28	376.47	5.72	-39.56
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299668	1	46	-1.0	-45.31	376.52	5.73	-39.58
C(CC1=NN=C(N2CCOC(C3CCCO3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299669	0	53	-1.0	-44.49	398.32	4.10	-40.39
C(CC1=NN=C(N2CCOC(C3CCCO3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299669	1	53	-1.0	-44.48	398.37	4.13	-40.35
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC(C3CCCO3)C2)N1C1CCOC1	REAL300020299670	0	50	-1.0	-44.28	378.53	4.34	-39.94
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC(C3CCCO3)C2)N1C1CCOC1	REAL300020299670	1	50	-1.0	-44.29	378.59	4.36	-39.93
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299671	0	47	-1.0	-47.38	339.53	5.43	-41.95
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299671	1	47	-1.0	-47.36	339.59	5.44	-41.92
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299672	0	44	-1.0	-44.57	321.25	4.25	-40.32
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299672	1	44	-1.0	-44.51	321.18	4.23	-40.28
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299673	0	51	-1.0	-43.52	370.75	5.87	-37.65
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299673	1	51	-1.0	-43.42	370.46	5.86	-37.56
C(CC1=NN=C(N2CCC3(CCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299674	0	48	-1.0	-42.26	357.25	6.04	-36.22
C(CC1=NN=C(N2CCC3(CCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299674	1	48	-1.0	-42.24	357.30	6.05	-36.19
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCC3)C2)N1C1CCOC1	REAL300020299675	0	45	-1.0	-47.86	335.56	5.64	-42.22
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCC3)C2)N1C1CCOC1	REAL300020299675	1	45	-1.0	-47.85	335.61	5.65	-42.20
C1=CC(C2=NN=C(N3CCC4(CCC4)C3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020299676	0	52	-1.0	-42.67	395.90	9.17	-33.50
C1=CC(C2=NN=C(N3CCC4(CCC4)C3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020299676	1	52	-1.0	-42.67	395.98	9.17	-33.50
CN(CCOCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299677	0	54	-1.0	-40.69	415.68	7.18	-33.51
CN(CCOCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299677	1	54	-1.0	-40.71	415.73	7.18	-33.53
CN(CCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299678	0	51	-1.0	-42.41	401.33	7.61	-34.80
CN(CCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299678	1	51	-1.0	-42.44	401.39	7.63	-34.81
OC1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299679	0	52	-1.0	-43.72	386.00	4.87	-38.85
OC1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299679	1	52	-1.0	-43.67	386.05	4.87	-38.80
N#CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299680	0	42	-1.0	-47.28	334.22	4.36	-42.92
N#CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299680	1	42	-1.0	-47.25	334.27	4.38	-42.87
N#CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299681	0	39	-1.0	-50.88	315.08	3.92	-46.96
N#CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299681	1	39	-1.0	-50.88	315.13	3.93	-46.95
N#CC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299682	0	46	-1.0	-47.10	370.51	7.88	-39.22
N#CC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299682	1	46	-1.0	-47.12	370.56	7.87	-39.25
CC(C)COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299683	0	54	-1.0	-41.73	406.48	5.74	-35.99
CC(C)COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299683	1	54	-1.0	-41.72	406.54	5.75	-35.97
CC(C)COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299684	0	51	-1.0	-42.82	382.20	5.16	-37.66
CC(C)COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299684	1	51	-1.0	-42.85	382.25	5.17	-37.68
CC(C)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299685	0	59	-1.0	-43.96	431.70	8.53	-35.43
CC(C)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299685	1	59	-1.0	-43.96	431.76	8.55	-35.41
CC(C)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299686	0	56	-1.0	-44.74	406.56	7.63	-37.11
CC(C)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299686	1	56	-1.0	-44.74	406.63	7.63	-37.11
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299687	0	56	-1.0	-43.93	409.91	7.74	-36.19
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299687	1	56	-1.0	-43.98	409.97	7.75	-36.23
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299688	0	53	-1.0	-44.76	384.65	6.82	-37.94
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299688	1	53	-1.0	-44.76	384.71	6.82	-37.94
CC(C)OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299689	0	54	-1.0	-43.65	401.68	5.75	-37.90
CC(C)OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299689	1	54	-1.0	-43.67	401.74	5.77	-37.90
CC(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299690	0	51	-1.0	-44.87	376.55	4.85	-40.02
CC(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299690	1	51	-1.0	-44.92	376.62	4.85	-40.07
CN(CC1=COC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299691	0	44	-1.0	-41.47	344.84	4.58	-36.89
CN(CC1=COC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299691	1	44	-1.0	-41.46	344.92	4.59	-36.87
CN(CC1=COC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299692	0	41	-1.0	-43.79	327.43	4.32	-39.47
CN(CC1=COC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299692	1	41	-1.0	-43.79	327.39	4.31	-39.48
CN(CC1=COC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299693	0	48	-1.0	-41.86	386.47	7.62	-34.24
CN(CC1=COC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299693	1	48	-1.0	-41.85	386.51	7.60	-34.25
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299694	0	56	0.0	-69.00	397.89	6.43	-62.57
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299694	1	56	0.0	-68.99	397.94	6.45	-62.54
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299695	0	53	0.0	-59.16	374.81	5.67	-53.49
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299695	1	53	0.0	-59.10	374.87	5.70	-53.40
CC1=NOC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)=N1	REAL300020299696	0	49	-1.0	-47.13	386.04	3.70	-43.43
CC1=NOC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)=N1	REAL300020299696	1	49	-1.0	-47.12	386.10	3.71	-43.41
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=N1	REAL300020299697	0	49	-1.0	-42.34	380.02	3.65	-38.69
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=N1	REAL300020299697	1	49	-1.0	-42.30	380.08	3.66	-38.64
CN(CCC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299698	0	50	-1.0	-43.26	390.58	7.48	-35.78
CN(CCC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299698	1	50	-1.0	-43.31	390.65	7.49	-35.82
CN(CCC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299699	0	47	-1.0	-43.91	375.61	7.93	-35.98
CN(CCC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299699	1	47	-1.0	-43.92	375.66	7.96	-35.96
CN(CC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299700	0	49	-1.0	-39.92	357.77	6.06	-33.86
CN(CC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299700	1	49	-1.0	-39.95	357.83	6.07	-33.88
CN(CC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299701	0	46	-1.0	-44.95	337.64	6.06	-38.89
CN(CC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299701	1	46	-1.0	-44.95	337.58	6.05	-38.90
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299702	0	53	-1.0	-41.88	388.79	7.24	-34.64
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299702	1	53	-1.0	-41.77	388.82	7.23	-34.54
CN(CC1CCCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299703	0	51	-1.0	-41.63	386.58	6.24	-35.39
CN(CC1CCCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299703	1	51	-1.0	-41.70	386.64	6.25	-35.45
CN(CC1CCCCO1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299704	0	48	-1.0	-46.19	362.24	4.71	-41.48
CN(CC1CCCCO1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299704	1	48	-1.0	-46.20	362.29	4.73	-41.47
OC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299705	0	45	-1.0	-41.76	349.42	2.19	-39.57
OC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299705	1	45	-1.0	-41.81	349.47	2.19	-39.62
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299706	0	51	-1.0	-49.96	396.47	3.35	-46.61
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299706	1	51	-1.0	-49.96	396.53	3.35	-46.61
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299707	0	48	-1.0	-56.53	379.58	3.04	-53.49
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299707	1	48	-1.0	-56.47	379.52	3.02	-53.45
CCCCCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299708	0	61	-1.0	-40.81	454.74	9.11	-31.70
CCCCCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299708	1	61	-1.0	-40.74	454.84	9.12	-31.62
CCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299709	0	58	-1.0	-44.76	437.74	8.96	-35.80
CCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299709	1	58	-1.0	-44.75	437.80	8.97	-35.78
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=CO1	REAL300020299710	0	47	-1.0	-41.56	372.90	6.70	-34.86
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=CO1	REAL300020299710	1	47	-1.0	-41.57	372.96	6.71	-34.86
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=CO1	REAL300020299711	0	44	-1.0	-41.83	351.17	6.01	-35.82
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=CO1	REAL300020299711	1	44	-1.0	-41.80	351.11	5.98	-35.82
CC(C)(C)OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299712	0	57	-1.0	-43.66	421.82	6.35	-37.31
CC(C)(C)OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299712	1	57	-1.0	-43.66	421.88	6.37	-37.29
CC(C)(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299713	0	54	-1.0	-44.85	393.40	5.34	-39.51
CC(C)(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299713	1	54	-1.0	-44.84	393.45	5.35	-39.49
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299714	0	56	-1.0	-44.61	421.19	8.57	-36.04
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299714	1	56	-1.0	-44.72	421.27	8.59	-36.13
CN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299715	0	47	-1.0	-42.01	368.34	6.65	-35.36
CN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299715	1	47	-1.0	-41.96	368.42	6.65	-35.31
CN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299716	0	44	-1.0	-44.61	352.78	6.56	-38.05
CN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299716	1	44	-1.0	-44.61	352.74	6.54	-38.07
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299717	0	50	-1.0	-41.08	383.92	7.52	-33.56
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299717	1	50	-1.0	-41.08	383.98	7.53	-33.55
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299718	0	47	-1.0	-47.22	360.29	7.33	-39.89
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299718	1	47	-1.0	-47.22	360.38	7.31	-39.91
CC(C)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020299719	0	56	-1.0	-40.18	426.88	8.57	-31.61
CC(C)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020299719	1	56	-1.0	-40.16	427.08	8.59	-31.57
CC(C)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020299720	0	53	-1.0	-44.72	405.22	8.17	-36.55
CC(C)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020299720	1	53	-1.0	-44.76	405.28	8.19	-36.57
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299721	0	47	-1.0	-40.04	383.38	7.16	-32.88
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299721	1	47	-1.0	-40.04	383.58	7.18	-32.86
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299722	0	44	-1.0	-44.01	363.05	7.00	-37.01
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299722	1	44	-1.0	-44.05	363.10	7.01	-37.04
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299723	0	55	-1.0	-42.89	419.48	8.70	-34.19
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299723	1	55	-1.0	-42.92	419.53	8.71	-34.21
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299724	0	52	-1.0	-49.22	398.77	7.23	-41.99
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299724	1	52	-1.0	-49.20	398.82	7.24	-41.96
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299725	0	53	0.0	-70.55	385.57	6.21	-64.34
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299725	1	53	0.0	-75.09	375.25	5.83	-69.26
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020299725	1	52	-1.0	-40.74	387.98	5.11	-35.63
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299725	1	52	-1.0	-40.70	388.04	5.12	-35.58
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299726	0	50	0.0	-65.83	364.59	5.82	-60.01
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299726	1	50	0.0	-65.11	364.02	5.66	-59.45
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020299726	1	50	0.0	-65.81	364.56	5.81	-60.00
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020299726	1	50	0.0	-65.09	363.96	5.65	-59.44
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C	REAL300020299726	1	49	-1.0	-44.30	364.58	3.35	-40.95
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C	REAL300020299726	1	49	-1.0	-44.32	364.63	3.35	-40.97
O=C1CCCN1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299727	0	52	-1.0	-54.15	392.25	5.58	-48.57
O=C1CCCN1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299727	1	52	-1.0	-54.15	392.31	5.61	-48.54
CN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299728	0	51	-1.0	-41.59	376.96	4.91	-36.68
CN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299728	1	51	-1.0	-41.56	377.02	4.93	-36.63
CN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299729	0	48	-1.0	-47.00	359.75	4.42	-42.58
CN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299729	1	48	-1.0	-46.98	359.82	4.45	-42.53
C=C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299730	0	45	-1.0	-41.46	343.61	5.53	-35.93
C=C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299730	1	45	-1.0	-41.50	343.67	5.54	-35.96
C=C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299731	0	42	-1.0	-44.37	321.98	5.08	-39.29
C=C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299731	1	42	-1.0	-44.36	321.92	5.08	-39.28
C=C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299732	0	49	-1.0	-41.11	377.85	9.13	-31.98
C=C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299732	1	49	-1.0	-41.05	377.98	9.13	-31.92
CCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299733	0	49	-1.0	-40.90	360.53	5.98	-34.92
CCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299733	1	49	-1.0	-40.97	360.60	5.99	-34.98
CCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299734	0	46	-1.0	-44.71	346.75	5.83	-38.88
CCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299734	1	46	-1.0	-44.68	346.80	5.85	-38.83
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299735	0	53	-1.0	-41.25	396.84	9.27	-31.98
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299735	1	53	-1.0	-41.20	396.81	9.23	-31.97
C1=COC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)=C1	REAL300020299736	0	48	-1.0	-41.48	360.99	5.03	-36.45
C1=COC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)=C1	REAL300020299736	1	48	-1.0	-41.47	361.04	5.04	-36.43
C1=COC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)=C1	REAL300020299737	0	45	-1.0	-45.14	341.47	4.63	-40.51
C1=COC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)=C1	REAL300020299737	1	45	-1.0	-45.17	341.53	4.66	-40.51
FC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299738	0	51	-1.0	-45.15	391.93	8.65	-36.50
FC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299738	1	51	-1.0	-45.14	391.98	8.67	-36.47
FC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299739	0	48	-1.0	-50.10	372.48	7.37	-42.73
FC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299739	1	48	-1.0	-50.10	372.55	7.37	-42.73
FC1=CC=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)=C1	REAL300020299740	0	51	-1.0	-41.14	389.21	7.55	-33.59
FC1=CC=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)=C1	REAL300020299740	1	51	-1.0	-41.15	389.27	7.57	-33.58
FC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)=C1	REAL300020299741	0	48	-1.0	-45.59	368.65	7.05	-38.54
FC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)=C1	REAL300020299741	1	48	-1.0	-45.55	368.69	7.07	-38.48
CC(C)(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299742	0	56	-1.0	-43.90	400.77	7.19	-36.71
CC(C)(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299742	1	56	-1.0	-43.88	400.84	7.21	-36.67
CC(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299743	0	53	-1.0	-44.76	375.65	6.29	-38.47
CC(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299743	1	53	-1.0	-44.74	375.71	6.29	-38.45
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299744	0	44	-1.0	-42.09	330.50	4.89	-37.20
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299744	1	44	-1.0	-42.06	330.56	4.90	-37.16
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299745	0	41	-1.0	-43.93	306.27	4.32	-39.61
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299745	1	41	-1.0	-43.93	306.22	4.31	-39.62
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299746	0	48	-1.0	-41.28	365.21	8.22	-33.06
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299746	1	48	-1.0	-41.28	365.24	8.21	-33.07
C(CC1=NN=C(N2CCC3(CCCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299747	0	51	-1.0	-44.62	372.48	6.57	-38.05
C(CC1=NN=C(N2CCC3(CCCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299747	1	51	-1.0	-44.64	372.54	6.58	-38.06
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCC3)C2)N1C1CCOC1	REAL300020299748	0	48	-1.0	-42.66	345.11	5.71	-36.95
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCCC3)C2)N1C1CCOC1	REAL300020299748	1	48	-1.0	-42.69	345.17	5.71	-36.98
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299749	0	51	-1.0	-41.28	382.79	4.61	-36.67
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299749	1	51	-1.0	-41.30	382.84	4.63	-36.67
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299750	0	48	-1.0	-40.18	366.43	4.98	-35.20
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299750	1	48	-1.0	-40.20	366.49	5.00	-35.20
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020299751	0	54	-1.0	-47.45	399.02	5.38	-42.07
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020299751	1	54	-1.0	-47.48	399.07	5.40	-42.08
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020299752	0	51	-1.0	-52.50	377.88	5.26	-47.24
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020299752	1	51	-1.0	-52.47	377.93	5.28	-47.19
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299753	0	47	-1.0	-56.21	358.43	1.56	-54.65
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299753	1	47	-1.0	-56.21	358.49	1.58	-54.63
CS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299754	0	44	-1.0	-56.36	341.20	0.34	-56.02
CS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299754	1	44	-1.0	-56.41	341.26	0.37	-56.04
CC1(C#N)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299755	0	48	-1.0	-43.95	374.08	6.55	-37.40
CC1(C#N)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299755	1	48	-1.0	-43.96	374.14	6.57	-37.39
CC1(C#N)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299756	0	45	-1.0	-47.21	349.14	5.59	-41.62
CC1(C#N)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299756	1	45	-1.0	-47.15	349.19	5.61	-41.54
C(CC1=NN=C(N2CCOC3(CCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299757	0	49	-1.0	-41.61	366.96	4.47	-37.14
C(CC1=NN=C(N2CCOC3(CCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299757	1	49	-1.0	-41.62	367.02	4.49	-37.13
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCC3)C2)N1C1CCOC1	REAL300020299758	0	46	-1.0	-46.43	347.49	4.53	-41.90
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCC3)C2)N1C1CCOC1	REAL300020299758	1	46	-1.0	-46.43	347.55	4.56	-41.87
CCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299759	0	51	-1.0	-41.55	380.71	5.61	-35.94
CCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299759	1	51	-1.0	-41.58	380.76	5.62	-35.96
CCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299760	0	48	-1.0	-45.67	355.94	4.65	-41.02
CCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299760	1	48	-1.0	-45.68	356.01	4.67	-41.01
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299761	0	50	-1.0	-55.76	390.53	2.53	-53.23
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299761	1	50	-1.0	-55.77	390.58	2.55	-53.22
CS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299762	0	47	-1.0	-49.57	369.70	2.60	-46.97
CS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299762	1	47	-1.0	-49.56	369.75	2.64	-46.92
CC(C)OCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299763	0	55	-1.0	-42.51	411.11	3.60	-38.91
CC(C)OCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299763	1	55	-1.0	-42.54	411.16	3.62	-38.92
CC(C)OCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299764	0	52	-1.0	-46.97	398.14	4.33	-42.64
CC(C)OCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299764	1	52	-1.0	-46.98	398.20	4.34	-42.64
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299765	0	49	-1.0	-54.82	389.39	2.09	-52.73
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299765	1	49	-1.0	-54.79	389.43	2.08	-52.71
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299766	0	46	-1.0	-57.45	372.36	1.92	-55.53
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299766	1	46	-1.0	-57.45	372.41	1.94	-55.51
C(CC1=NN=C(N2CCC3(CCO3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299767	0	49	-1.0	-46.72	370.23	4.56	-42.16
C(CC1=NN=C(N2CCC3(CCO3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299767	1	49	-1.0	-46.73	370.29	4.57	-42.16
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCO3)CC2)N1C1CCOC1	REAL300020299768	0	46	-1.0	-50.32	348.99	4.24	-46.08
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCO3)CC2)N1C1CCOC1	REAL300020299768	1	46	-1.0	-50.34	349.06	4.25	-46.09
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1=NC=CS1	REAL300020299769	0	49	-1.0	-43.42	388.39	5.33	-38.09
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1=NC=CS1	REAL300020299769	1	49	-1.0	-43.36	388.45	5.35	-38.01
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1=NC=CS1	REAL300020299770	0	46	-1.0	-48.10	369.42	5.33	-42.77
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1=NC=CS1	REAL300020299770	1	46	-1.0	-48.09	369.48	5.34	-42.75
O=C1OCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCN12	REAL300020299771	0	47	-1.0	-46.72	356.19	2.76	-43.96
O=C1OCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCN12	REAL300020299771	1	47	-1.0	-46.74	356.26	2.78	-43.96
O=C1OCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN12	REAL300020299772	0	44	-1.0	-46.76	336.48	2.46	-44.30
O=C1OCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN12	REAL300020299772	1	44	-1.0	-46.80	336.53	2.47	-44.33
FC(F)(F)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299773	0	47	-1.0	-43.69	364.87	6.64	-37.05
FC(F)(F)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299773	1	47	-1.0	-43.70	364.93	6.66	-37.04
FC(F)(F)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299774	0	44	-1.0	-44.26	342.47	5.17	-39.09
FC(F)(F)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299774	1	44	-1.0	-44.25	342.51	5.18	-39.07
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299775	0	51	-1.0	-41.48	401.09	8.11	-33.37
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299775	1	51	-1.0	-41.50	401.15	8.13	-33.37
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299776	0	48	-1.0	-40.92	381.23	7.43	-33.49
CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299776	1	48	-1.0	-40.92	381.17	7.41	-33.51
CCNC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299777	0	53	-1.0	-53.60	400.29	1.17	-52.43
CCNC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299777	1	53	-1.0	-53.57	400.34	1.17	-52.40
CC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299778	0	51	-1.0	-44.95	391.69	4.38	-40.57
CC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299778	1	51	-1.0	-44.99	391.75	4.40	-40.59
CC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299779	0	48	-1.0	-45.92	373.37	2.88	-43.04
CC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299779	1	48	-1.0	-45.93	373.43	2.90	-43.03
CCOC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299780	0	52	-1.0	-42.05	405.17	3.99	-38.06
CCOC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299780	1	52	-1.0	-41.99	405.23	4.01	-37.98
CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299781	0	50	-1.0	-42.63	385.00	7.44	-35.19
CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299781	1	50	-1.0	-42.66	385.07	7.46	-35.20
CN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299782	0	47	-1.0	-46.32	368.71	7.31	-39.01
CN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299782	1	47	-1.0	-46.31	368.66	7.29	-39.02
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCCCC3)CC2)N1C1CCOC1	REAL300020299783	0	57	0.0	-69.20	401.87	7.15	-62.05
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCCCC3)CC2)N1C1CCOC1	REAL300020299783	1	57	0.0	-69.16	401.94	7.16	-62.00
C(CC1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299784	0	57	0.0	-72.07	411.62	7.60	-64.47
C(CC1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299784	1	57	0.0	-72.03	411.66	7.61	-64.42
C(C1=N[N-]N=N1)C1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1C1CCOC1	REAL300020299785	0	54	0.0	-69.03	387.19	6.65	-62.38
C(C1=NN=N[N-]1)C1=NN=C(N2CC[NH+](C3CCCC3)CC2)N1C1CCOC1	REAL300020299785	1	54	0.0	-69.12	387.25	6.66	-62.46
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299786	0	53	0.0	-71.00	385.49	6.23	-64.77
CC(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299786	1	52	-1.0	-43.50	380.19	3.88	-39.62
CC(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299786	1	52	-1.0	-43.49	380.24	3.89	-39.60
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299787	0	50	0.0	-67.85	360.24	5.30	-62.55
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299787	1	50	0.0	-67.85	360.31	5.31	-62.54
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299787	1	49	-1.0	-44.56	354.31	2.88	-41.68
CC(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299787	1	49	-1.0	-44.54	354.36	2.88	-41.66
COCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299788	0	44	-1.0	-42.27	337.70	2.75	-39.52
COCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299788	1	44	-1.0	-42.27	337.79	2.76	-39.51
COCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299789	0	41	-1.0	-45.47	320.71	2.60	-42.87
COCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299789	1	41	-1.0	-45.50	320.66	2.59	-42.91
COCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299790	0	48	-1.0	-42.40	371.59	6.06	-36.34
COCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299790	1	48	-1.0	-42.40	371.30	5.99	-36.41
CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299791	0	50	-1.0	-40.70	374.04	5.49	-35.21
CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299791	1	50	-1.0	-40.69	374.09	5.51	-35.18
CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299792	0	47	-1.0	-45.59	338.38	4.01	-41.58
CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299792	1	47	-1.0	-45.61	338.44	4.02	-41.59
CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299793	0	54	-1.0	-41.46	407.94	8.26	-33.20
CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299793	1	54	-1.0	-41.42	408.03	8.25	-33.17
CN(CC1=CC=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299794	0	46	-1.0	-43.42	364.12	6.06	-37.36
CN(CC1=CC=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299794	1	46	-1.0	-43.44	364.17	6.08	-37.36
CN(CC1=CC=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299795	0	43	-1.0	-45.26	340.51	4.73	-40.53
CN(CC1=CC=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299795	1	43	-1.0	-45.26	340.45	4.71	-40.55
C(CC1=NN=C(N2CCCCCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299796	0	47	-1.0	-41.17	338.77	5.19	-35.98
C(CC1=NN=C(N2CCCCCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299796	1	47	-1.0	-41.16	338.82	5.19	-35.97
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCC2)N1C1CCOC1	REAL300020299797	0	44	-1.0	-44.91	320.21	4.89	-40.02
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCC2)N1C1CCOC1	REAL300020299797	1	44	-1.0	-44.94	320.16	4.88	-40.06
C1=CC(C2=NN=C(N3CCCCCC3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020299798	0	51	-1.0	-40.39	374.98	7.23	-33.16
C1=CC(C2=NN=C(N3CCCCCC3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020299798	1	51	-1.0	-40.33	375.09	7.22	-33.11
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299799	0	50	-1.0	-40.56	380.45	7.23	-33.33
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299799	1	50	-1.0	-40.60	380.52	7.24	-33.36
CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299800	0	47	-1.0	-48.86	360.80	7.18	-41.68
CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299800	1	47	-1.0	-48.86	360.75	7.18	-41.68
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1=CC=CC=C1	REAL300020299801	0	44	-1.0	-41.99	342.63	6.47	-35.52
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1=CC=CC=C1	REAL300020299801	1	44	-1.0	-42.00	342.69	6.49	-35.51
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1=CC=CC=C1	REAL300020299802	0	41	-1.0	-50.48	323.89	6.95	-43.53
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1=CC=CC=C1	REAL300020299802	1	41	-1.0	-50.48	323.84	6.93	-43.55
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C1=CC=CC=C1	REAL300020299803	0	48	-1.0	-44.60	378.12	9.35	-35.25
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C1=CC=CC=C1	REAL300020299803	1	48	-1.0	-44.57	378.17	9.34	-35.23
C(CC1=NN=C(N2CCCOCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299804	0	45	-1.0	-43.03	339.61	3.65	-39.38
C(CC1=NN=C(N2CCCOCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299804	1	45	-1.0	-43.03	339.67	3.67	-39.36
C(C1=NN=N[N-]1)C1=NN=C(N2CCCOCC2)N1C1CCOC1	REAL300020299805	0	42	-1.0	-40.96	307.94	2.71	-38.25
C(C1=N[N-]N=N1)C1=NN=C(N2CCCOCC2)N1C1CCOC1	REAL300020299805	1	42	-1.0	-40.91	307.88	2.71	-38.20
C1=CC(C2=NN=C(N3CCCOCC3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020299806	0	49	-1.0	-42.49	374.75	6.49	-36.00
C1=CC(C2=NN=C(N3CCCOCC3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020299806	1	49	-1.0	-42.45	374.80	6.48	-35.97
COC1=CC=C(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020299807	0	45	-1.0	-41.69	360.58	6.55	-35.14
COC1=CC=C(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020299807	1	45	-1.0	-41.65	360.53	6.53	-35.12
COC1=CC=C(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020299808	0	42	-1.0	-45.25	342.13	5.90	-39.35
COC1=CC=C(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020299808	1	42	-1.0	-45.22	342.07	5.88	-39.34
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCSC1	REAL300020299809	0	45	-1.0	-43.18	349.91	5.32	-37.86
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCSC1	REAL300020299809	1	45	-1.0	-43.13	349.96	5.33	-37.80
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCSC1	REAL300020299810	0	42	-1.0	-39.70	320.97	4.57	-35.13
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCSC1	REAL300020299810	1	42	-1.0	-39.72	321.01	4.59	-35.13
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C1CCSC1	REAL300020299811	0	49	-1.0	-43.72	386.06	8.49	-35.23
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C1CCSC1	REAL300020299811	1	49	-1.0	-43.66	386.11	8.48	-35.18
CN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299812	0	50	-1.0	-46.65	391.26	5.78	-40.87
CN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299812	1	50	-1.0	-46.62	391.31	5.80	-40.82
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299813	0	56	0.0	-70.65	399.58	6.80	-63.85
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299813	1	56	0.0	-70.68	399.64	6.80	-63.88
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299814	0	53	0.0	-62.11	374.97	6.06	-56.05
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299814	1	53	0.0	-62.13	375.03	6.06	-56.07
COC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C12CCC2	REAL300020299815	0	55	-1.0	-43.90	410.92	6.16	-37.74
COC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C12CCC2	REAL300020299815	1	55	-1.0	-43.86	411.04	6.17	-37.69
COC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C12CCC2	REAL300020299816	0	52	-1.0	-47.08	386.19	5.16	-41.92
COC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C12CCC2	REAL300020299816	1	52	-1.0	-47.13	386.26	5.17	-41.96
C1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCCC2=C1	REAL300020299817	0	54	-1.0	-39.95	389.95	8.90	-31.05
C1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCCC2=C1	REAL300020299817	1	54	-1.0	-39.98	390.01	8.90	-31.08
C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCCC2=C1	REAL300020299818	0	51	-1.0	-48.69	372.41	8.69	-40.00
C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCCC2=C1	REAL300020299818	1	51	-1.0	-48.77	372.45	8.71	-40.06
C(CC1=NN=C(N2CCCCCCCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299819	0	53	-1.0	-40.19	376.03	7.03	-33.16
C(CC1=NN=C(N2CCCCCCCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299819	1	53	-1.0	-40.18	376.09	7.04	-33.14
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCCC2)N1C1CCOC1	REAL300020299820	0	50	-1.0	-44.43	351.76	6.50	-37.93
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCCC2)N1C1CCOC1	REAL300020299820	1	50	-1.0	-45.05	352.25	6.52	-38.53
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020299821	0	52	-1.0	-45.76	393.80	5.35	-40.41
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020299821	1	52	-1.0	-45.74	393.86	5.36	-40.38
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020299822	0	49	-1.0	-51.53	368.71	5.30	-46.23
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020299822	1	49	-1.0	-51.56	368.66	5.28	-46.28
C1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCCO2)C=C1	REAL300020299823	0	52	-1.0	-44.83	387.46	6.66	-38.17
C1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCCO2)C=C1	REAL300020299823	1	52	-1.0	-44.82	387.53	6.68	-38.14
C(CC1=NN=C(N2CCOCC3(CC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299824	0	49	-1.0	-42.32	354.12	4.38	-37.94
C(CC1=NN=C(N2CCOCC3(CC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299824	1	49	-1.0	-42.31	354.19	4.39	-37.92
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCC3(CC3)C2)N1C1CCOC1	REAL300020299825	0	46	-1.0	-45.15	343.14	4.00	-41.15
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCC3(CC3)C2)N1C1CCOC1	REAL300020299825	1	46	-1.0	-45.14	343.21	4.00	-41.14
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC[N@@H+](C2CCC2)C1	REAL300020299826	0	57	0.0	-69.27	408.05	7.79	-61.48
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC[N@H+](C2CCC2)C1	REAL300020299826	1	57	0.0	-67.20	400.54	7.54	-59.66
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[N@@H+](C2CCC2)C1	REAL300020299826	1	57	0.0	-69.29	408.10	7.79	-61.50
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[N@H+](C2CCC2)C1	REAL300020299826	1	57	0.0	-67.19	400.60	7.55	-59.64
C(CC1=NN=C(N2CCOCC(C3CCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299827	0	55	-1.0	-41.30	398.94	5.92	-35.38
C(CC1=NN=C(N2CCOCC(C3CCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299827	1	55	-1.0	-41.24	400.28	5.88	-35.36
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCC(C3CCC3)C2)N1C1CCOC1	REAL300020299828	0	52	-1.0	-39.60	381.56	6.04	-33.56
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCC(C3CCC3)C2)N1C1CCOC1	REAL300020299828	1	52	-1.0	-39.60	381.61	6.06	-33.54
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2=CC=CC=C2O1	REAL300020299829	0	52	-1.0	-41.71	394.27	6.70	-35.01
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=CC=C2O1	REAL300020299829	1	52	-1.0	-41.72	394.33	6.71	-35.01
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=CC=C2O1	REAL300020299830	0	49	-1.0	-46.51	368.12	6.54	-39.97
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2=CC=CC=C2O1	REAL300020299830	1	49	-1.0	-46.50	368.07	6.54	-39.96
C1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020299831	0	53	-1.0	-44.86	398.80	5.27	-39.59
C1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020299831	1	54	0.0	-67.94	399.71	7.87	-60.07
C1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020299831	1	53	-1.0	-44.93	398.85	5.28	-39.65
C(CC1=NN=C(N2CCOCC3(CCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299832	0	52	-1.0	-43.87	373.42	6.43	-37.44
C(CC1=NN=C(N2CCOCC3(CCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299832	1	52	-1.0	-43.92	373.47	6.46	-37.46
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCC3(CCC3)C2)N1C1CCOC1	REAL300020299833	0	49	-1.0	-47.28	358.27	5.48	-41.80
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCC3(CCC3)C2)N1C1CCOC1	REAL300020299833	1	49	-1.0	-47.32	358.32	5.49	-41.83
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299834	0	56	0.0	-71.08	390.92	7.64	-63.44
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299834	1	56	0.0	-68.93	394.88	5.97	-62.96
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299834	1	56	0.0	-71.06	390.99	7.65	-63.41
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299834	1	56	0.0	-68.97	394.94	6.00	-62.97
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299835	0	53	0.0	-69.69	376.64	6.70	-62.99
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299835	1	53	0.0	-64.71	369.47	5.96	-58.75
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299835	1	53	0.0	-69.69	376.69	6.71	-62.98
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299835	1	53	0.0	-64.71	369.52	5.98	-58.73
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299836	0	59	0.0	-68.14	405.41	6.47	-61.67
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299836	1	59	0.0	-61.85	402.11	7.30	-54.55
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299836	1	59	0.0	-68.13	405.47	6.48	-61.65
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299836	1	59	0.0	-61.86	402.17	7.32	-54.54
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299837	0	56	0.0	-61.53	382.55	6.70	-54.83
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299837	1	56	0.0	-64.06	386.23	6.44	-57.62
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299837	1	56	0.0	-61.51	382.61	6.71	-54.80
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299837	1	56	0.0	-64.05	386.29	6.45	-57.60
CON(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299838	0	42	-1.0	-42.74	342.19	6.56	-36.18
CON(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299838	1	42	-1.0	-42.74	342.22	6.54	-36.20
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2CC2CCCCC2)N1C1CCOC1	REAL300020299839	0	57	-1.0	-46.83	405.11	7.17	-39.66
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2CC2CCCCC2)N1C1CCOC1	REAL300020299839	1	57	-1.0	-46.86	405.19	7.17	-39.69
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCCO1	REAL300020299840	0	48	-1.0	-41.75	359.24	4.21	-37.54
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCCO1	REAL300020299840	1	48	-1.0	-41.81	359.30	4.22	-37.59
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCCO1	REAL300020299841	0	45	-1.0	-50.29	332.00	3.92	-46.37
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCCO1	REAL300020299841	1	45	-1.0	-50.29	332.07	3.94	-46.35
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCCO1	REAL300020299842	0	52	-1.0	-43.32	395.50	7.08	-36.24
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCCO1	REAL300020299842	1	52	-1.0	-43.30	395.54	7.07	-36.23
CCC1C(=O)NCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299843	0	48	-1.0	-44.30	364.85	3.41	-40.89
CCC1C(=O)NCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299843	1	48	-1.0	-44.31	364.91	3.43	-40.88
CCC1C(=O)NCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299844	0	45	-1.0	-45.01	331.43	0.58	-44.43
CCC1C(=O)NCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299844	1	45	-1.0	-45.00	331.36	0.57	-44.43
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299845	0	48	-1.0	-52.62	372.48	2.83	-49.79
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299845	1	48	-1.0	-52.63	372.53	2.85	-49.78
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299846	0	45	-1.0	-56.55	338.63	1.08	-55.47
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299846	1	45	-1.0	-56.53	338.58	1.06	-55.47
COC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299847	0	45	-1.0	-40.28	348.92	3.57	-36.71
COC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299847	1	45	-1.0	-40.28	348.98	3.59	-36.69
COC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299848	0	42	-1.0	-43.21	330.61	2.17	-41.04
COC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299848	1	42	-1.0	-43.22	330.67	2.19	-41.03
COC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299849	0	49	-1.0	-44.69	382.50	5.72	-38.97
COC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299849	1	49	-1.0	-44.67	382.46	5.70	-38.97
CC1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299850	0	47	-1.0	-39.56	350.39	4.89	-34.67
CC1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299850	1	47	-1.0	-39.54	350.45	4.90	-34.64
CC1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299851	0	44	-1.0	-43.37	331.06	4.62	-38.75
CC1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299851	1	44	-1.0	-43.38	331.00	4.59	-38.79
CC1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299852	0	51	-1.0	-40.87	381.20	7.94	-32.93
CC1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299852	1	51	-1.0	-40.87	381.24	7.93	-32.94
CCC1CC(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299853	0	50	-1.0	-41.01	364.79	6.40	-34.61
CCC1CC(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299853	1	50	-1.0	-40.98	364.85	6.42	-34.56
CCC1CC(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299854	0	47	-1.0	-43.82	342.99	4.29	-39.53
CCC1CC(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299854	1	47	-1.0	-43.79	343.03	4.30	-39.49
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299855	0	54	-1.0	-46.67	394.42	7.38	-39.29
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299855	1	54	-1.0	-46.70	394.45	7.36	-39.34
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299856	0	45	-1.0	-41.45	335.35	2.63	-38.82
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299856	1	45	-1.0	-41.48	335.41	2.65	-38.83
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299857	0	42	-1.0	-45.31	322.83	2.84	-42.47
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299857	1	42	-1.0	-45.35	322.87	2.85	-42.50
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCO1	REAL300020299858	0	49	-1.0	-40.39	366.42	4.65	-35.74
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCO1	REAL300020299858	1	49	-1.0	-40.34	366.47	4.64	-35.70
CC(C)CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299859	0	56	-1.0	-41.82	390.05	8.17	-33.65
CC(C)CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299859	1	56	-1.0	-41.81	390.11	8.18	-33.63
CC(C)CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299860	0	53	-1.0	-42.61	390.89	6.36	-36.25
CC(C)CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299860	1	53	-1.0	-42.58	390.95	6.39	-36.19
CCCC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299861	0	56	-1.0	-40.27	404.24	6.74	-33.53
CCCC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299861	1	56	-1.0	-40.29	404.30	6.76	-33.53
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299862	0	53	-1.0	-44.65	385.01	5.98	-38.67
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299862	1	53	-1.0	-44.70	385.07	6.01	-38.69
COC1=CC=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020299863	0	45	-1.0	-44.99	361.01	6.56	-38.43
COC1=CC=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020299863	1	45	-1.0	-44.98	360.96	6.55	-38.43
COC1=CC=CC(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020299864	0	42	-1.0	-47.02	341.81	5.90	-41.12
COC1=CC=CC(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020299864	1	42	-1.0	-47.02	341.76	5.87	-41.15
CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020299865	0	41	-1.0	-44.23	336.33	6.26	-37.97
CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020299865	1	41	-1.0	-44.15	336.28	6.25	-37.90
CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020299866	0	38	-1.0	-46.24	312.22	5.41	-40.83
CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020299866	1	38	-1.0	-46.24	312.16	5.38	-40.86
CN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)=N1	REAL300020299867	0	45	-1.0	-45.96	369.69	8.36	-37.60
CN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)=N1	REAL300020299867	1	45	-1.0	-46.03	369.63	8.35	-37.68
CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020299868	0	41	-1.0	-45.40	336.57	5.28	-40.12
CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020299868	1	41	-1.0	-45.42	336.51	5.26	-40.16
CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020299869	0	38	-1.0	-48.08	312.35	4.43	-43.65
CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020299869	1	38	-1.0	-48.05	312.29	4.40	-43.65
CN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C=N1	REAL300020299870	0	45	-1.0	-47.45	369.89	7.38	-40.07
CN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C=N1	REAL300020299870	1	45	-1.0	-47.46	369.84	7.39	-40.07
CC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299871	0	50	-1.0	-44.34	372.92	6.55	-37.79
CC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299871	1	50	-1.0	-44.32	372.97	6.57	-37.75
CC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299872	0	47	-1.0	-46.74	346.11	5.79	-40.95
CC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299872	1	47	-1.0	-46.76	346.18	5.79	-40.97
CC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299873	0	54	-1.0	-46.31	399.00	8.92	-37.39
CC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299873	1	54	-1.0	-46.36	399.06	8.91	-37.45
O=C1CO[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@H]2N1	REAL300020299874	0	50	-1.0	-43.83	386.95	2.44	-41.39
O=C1CO[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@H]2N1	REAL300020299874	1	50	-1.0	-43.84	387.01	2.46	-41.38
O=C1CO[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@H]2N1	REAL300020299875	0	47	-1.0	-48.81	357.47	0.44	-48.37
O=C1CO[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@H]2N1	REAL300020299875	1	47	-1.0	-48.83	357.53	0.44	-48.39
CON1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299876	0	53	-1.0	-43.02	391.43	4.85	-38.17
CON1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299876	1	53	-1.0	-43.04	391.49	4.86	-38.18
CON1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299877	0	50	-1.0	-46.08	371.87	2.69	-43.39
CON1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299877	1	50	-1.0	-46.06	371.89	2.73	-43.33
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299878	0	53	-1.0	-46.14	410.13	6.28	-39.86
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299878	1	53	-1.0	-46.15	410.10	6.28	-39.87
CCC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020299879	0	50	-1.0	-41.51	385.47	7.91	-33.60
CCC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020299879	1	50	-1.0	-41.51	385.53	7.92	-33.59
CCC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020299880	0	47	-1.0	-50.14	366.75	8.35	-41.79
CCC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020299880	1	47	-1.0	-50.18	366.70	8.33	-41.85
C(CC1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299881	0	51	-1.0	-41.31	371.04	7.34	-33.97
C(CC1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299881	1	51	-1.0	-41.34	371.10	7.36	-33.98
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1C1CCOC1	REAL300020299882	0	48	-1.0	-43.04	342.20	5.85	-37.19
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CCCC[C@@H]3C2)N1C1CCOC1	REAL300020299882	1	48	-1.0	-43.04	342.25	5.85	-37.19
COC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299883	0	48	-1.0	-41.74	358.43	4.22	-37.52
COC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299883	1	48	-1.0	-41.72	358.49	4.23	-37.49
COC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299884	0	45	-1.0	-49.79	332.09	3.43	-46.36
COC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299884	1	45	-1.0	-49.74	332.14	3.44	-46.30
COC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299885	0	52	-1.0	-43.16	394.89	5.46	-37.70
COC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299885	1	52	-1.0	-43.09	394.93	5.45	-37.64
FC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020299886	0	45	-1.0	-44.17	358.24	6.39	-37.78
FC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020299886	1	45	-1.0	-44.13	358.30	6.40	-37.73
FC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020299887	0	42	-1.0	-47.54	334.22	5.89	-41.65
FC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020299887	1	42	-1.0	-47.52	334.14	5.88	-41.64
FC1(F)C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC21	REAL300020299888	0	45	-1.0	-42.09	340.39	5.59	-36.50
FC1(F)C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC21	REAL300020299888	1	45	-1.0	-42.08	340.46	5.62	-36.46
FC1(F)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC21	REAL300020299889	0	42	-1.0	-48.40	320.71	5.58	-42.82
FC1(F)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC21	REAL300020299889	1	42	-1.0	-48.39	320.77	5.59	-42.80
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CC(C)(C)C1	REAL300020299890	0	50	-1.0	-42.59	373.04	6.00	-36.59
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CC(C)(C)C1	REAL300020299890	1	50	-1.0	-42.62	373.10	6.01	-36.61
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC(C)(C)C1	REAL300020299891	0	47	-1.0	-45.75	355.71	5.98	-39.77
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC(C)(C)C1	REAL300020299891	1	47	-1.0	-45.77	355.76	5.99	-39.78
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C1CC(C)(C)C1	REAL300020299892	0	54	-1.0	-41.25	413.02	8.83	-32.42
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C1CC(C)(C)C1	REAL300020299892	1	54	-1.0	-41.18	413.05	8.82	-32.36
ClC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020299893	0	45	-1.0	-41.56	366.96	6.84	-34.72
ClC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020299893	1	45	-1.0	-41.59	367.02	6.88	-34.71
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(OC3CCOC3)CC2)N1C1CCOC1	REAL300020299894	0	53	-1.0	-42.82	390.18	3.80	-39.02
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(OC3CCOC3)CC2)N1C1CCOC1	REAL300020299894	1	53	-1.0	-42.83	390.23	3.81	-39.02
C(CC1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299895	0	49	-1.0	-40.21	359.32	5.22	-34.99
C(CC1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299895	1	49	-1.0	-40.24	359.37	5.24	-35.00
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1C1CCOC1	REAL300020299896	0	46	-1.0	-47.50	340.46	3.78	-43.72
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H]3COC[C@@H]32)N1C1CCOC1	REAL300020299896	1	46	-1.0	-47.55	340.51	3.79	-43.76
NC(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020299897	0	49	-1.0	-50.43	386.84	0.47	-49.96
NC(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020299897	1	49	-1.0	-50.42	386.90	0.49	-49.93
NC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020299898	0	46	-1.0	-54.59	366.06	0.19	-54.40
NC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020299898	1	46	-1.0	-54.59	366.11	0.21	-54.38
CC1C(CO)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299899	0	51	-1.0	-44.02	368.33	2.83	-41.19
CC1C(CO)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299899	1	51	-1.0	-44.00	368.40	2.84	-41.16
CC1C(CO)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299900	0	48	-1.0	-41.31	361.81	1.73	-39.58
CC1C(CO)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299900	1	48	-1.0	-41.38	361.87	1.75	-39.63
CC(=O)C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020299901	0	50	-1.0	-46.23	393.82	7.65	-38.58
CC(=O)C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020299901	1	50	-1.0	-46.18	393.87	7.66	-38.52
CC(=O)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020299902	0	47	-1.0	-45.90	375.92	7.53	-38.37
CC(=O)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020299902	1	47	-1.0	-45.89	375.86	7.51	-38.38
CC(C)(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1(C)C	REAL300020299903	0	59	-1.0	-45.87	410.78	7.36	-38.51
CC(C)(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1(C)C	REAL300020299903	1	59	-1.0	-45.85	410.83	7.37	-38.48
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CC(C)(C)C1	REAL300020299904	0	53	-1.0	-39.92	394.40	6.03	-33.89
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CC(C)(C)C1	REAL300020299904	1	53	-1.0	-39.93	394.46	6.05	-33.88
CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC(C)(C)C1	REAL300020299905	0	50	-1.0	-47.18	367.76	5.91	-41.27
CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC(C)(C)C1	REAL300020299905	1	50	-1.0	-47.18	367.81	5.92	-41.26
C(CC1=NN=C(N2CCCC3(CCSC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299906	0	52	-1.0	-42.94	387.22	7.02	-35.92
C(CC1=NN=C(N2CCCC3(CCSC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299906	1	52	-1.0	-42.90	387.28	7.03	-35.87
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCSC3)C2)N1C1CCOC1	REAL300020299907	0	49	-1.0	-46.50	364.65	6.38	-40.12
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCSC3)C2)N1C1CCOC1	REAL300020299907	1	49	-1.0	-46.48	364.70	6.39	-40.09
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)=NC=N1	REAL300020299908	0	52	-1.0	-48.76	397.91	6.59	-42.17
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)=NC=N1	REAL300020299908	1	52	-1.0	-48.79	397.97	6.61	-42.18
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=NC=N1	REAL300020299909	0	49	-1.0	-48.33	373.61	5.71	-42.62
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=NC=N1	REAL300020299909	1	49	-1.0	-48.32	373.68	5.72	-42.60
CC(C1CC1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299910	0	47	-1.0	-39.92	346.20	5.40	-34.52
CC(C1CC1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299910	1	47	-1.0	-39.93	346.26	5.40	-34.53
CC(C1CC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299911	0	44	-1.0	-45.58	328.71	5.55	-40.03
CC(C1CC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299911	1	44	-1.0	-45.55	328.66	5.54	-40.01
CC(C1CC1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299912	0	51	-1.0	-41.52	388.82	8.99	-32.53
CC(C1CC1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299912	1	51	-1.0	-41.47	388.82	8.98	-32.49
FCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299913	0	45	-1.0	-42.99	341.94	2.78	-40.21
FCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299913	1	45	-1.0	-42.98	341.99	2.79	-40.19
FCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020299914	0	42	-1.0	-44.21	322.73	2.35	-41.86
FCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020299914	1	42	-1.0	-44.17	322.79	2.36	-41.81
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299915	0	51	-1.0	-44.77	392.70	8.43	-36.34
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299915	1	51	-1.0	-44.74	392.75	8.47	-36.27
C(CC1=NN=C(N2CCC(C3CCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299916	0	51	-1.0	-40.08	369.14	5.98	-34.10
C(CC1=NN=C(N2CCC(C3CCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299916	1	51	-1.0	-40.08	369.20	5.99	-34.09
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCC3)C2)N1C1CCOC1	REAL300020299917	0	48	-1.0	-48.47	352.07	5.73	-42.74
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCC3)C2)N1C1CCOC1	REAL300020299917	1	48	-1.0	-48.49	352.13	5.73	-42.76
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1C	REAL300020299918	0	53	-1.0	-40.99	400.40	7.78	-33.21
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1C	REAL300020299918	1	53	-1.0	-40.96	400.48	7.79	-33.17
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1C	REAL300020299919	0	50	-1.0	-45.38	384.80	7.69	-37.69
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1C	REAL300020299919	1	50	-1.0	-45.38	384.74	7.68	-37.70
CNC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299920	0	53	-1.0	-51.69	406.71	2.20	-49.49
CNC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299920	1	53	-1.0	-51.69	406.77	2.22	-49.47
CNC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299921	0	50	-1.0	-50.79	385.05	2.25	-48.54
CNC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299921	1	50	-1.0	-50.79	385.11	2.28	-48.51
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020299922	0	49	-1.0	-42.24	382.71	5.65	-36.59
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020299922	1	49	-1.0	-42.25	382.76	5.67	-36.58
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020299923	0	46	-1.0	-47.83	363.52	5.55	-42.28
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020299923	1	46	-1.0	-47.80	363.47	5.52	-42.28
CC(C)(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299924	0	56	-1.0	-43.74	398.31	7.88	-35.86
CC(C)(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299924	1	56	-1.0	-43.74	398.37	7.89	-35.85
CC(C)(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299925	0	53	-1.0	-45.65	376.35	6.38	-39.27
CC(C)(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299925	1	53	-1.0	-45.62	376.39	6.38	-39.24
COC(=O)C1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299926	0	53	-1.0	-45.92	396.99	5.90	-40.02
COC(=O)C1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299926	1	53	-1.0	-45.92	397.05	5.91	-40.01
COC(=O)C1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299927	0	50	-1.0	-53.99	380.71	6.39	-47.60
COC(=O)C1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299927	1	50	-1.0	-54.01	380.76	6.41	-47.60
COCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299928	0	50	-1.0	-42.87	380.92	4.28	-38.59
COCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299928	1	50	-1.0	-42.90	381.02	4.28	-38.62
COCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299929	0	47	-1.0	-46.67	363.92	4.12	-42.55
COCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299929	1	47	-1.0	-46.69	363.97	4.13	-42.56
COCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299930	0	54	-1.0	-43.35	414.86	7.58	-35.77
COCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299930	1	54	-1.0	-43.35	414.57	7.51	-35.84
C(CC1=NN=C(N2CCC(OC3CCC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299931	0	55	-1.0	-43.54	413.51	6.57	-36.97
C(CC1=NN=C(N2CCC(OC3CCC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299931	1	55	-1.0	-43.56	413.57	6.58	-36.98
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(OC3CCC3)CC2)N1C1CCOC1	REAL300020299932	0	52	-1.0	-39.63	385.62	5.81	-33.82
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(OC3CCC3)CC2)N1C1CCOC1	REAL300020299932	1	52	-1.0	-39.68	385.68	5.82	-33.86
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1C(C)(C)C	REAL300020299933	0	59	-1.0	-43.74	397.64	8.70	-35.04
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1C(C)(C)C	REAL300020299933	1	59	-1.0	-43.74	397.70	8.71	-35.03
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1C(C)(C)C	REAL300020299934	0	56	-1.0	-44.65	375.55	7.91	-36.74
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1C(C)(C)C	REAL300020299934	1	56	-1.0	-44.66	375.61	7.92	-36.74
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C(C)C1C	REAL300020299935	0	50	-1.0	-41.93	357.75	5.05	-36.88
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C(C)C1C	REAL300020299935	1	50	-1.0	-41.95	357.80	5.07	-36.88
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C(C)C1C	REAL300020299936	0	47	-1.0	-43.18	335.79	4.36	-38.82
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C(C)C1C	REAL300020299936	1	47	-1.0	-43.16	335.83	4.38	-38.78
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C(C)C1C	REAL300020299937	0	54	-1.0	-46.68	397.56	7.75	-38.93
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C(C)C1C	REAL300020299937	1	54	-1.0	-46.68	397.59	7.74	-38.94
FC(F)(F)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299938	0	47	-1.0	-40.95	370.76	7.21	-33.74
FC(F)(F)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299938	1	47	-1.0	-41.01	370.82	7.23	-33.78
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(CC)O1	REAL300020299939	0	54	-1.0	-43.16	402.13	6.14	-37.02
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(CC)O1	REAL300020299939	1	54	-1.0	-43.17	402.18	6.16	-37.01
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(CC)O1	REAL300020299940	0	51	-1.0	-44.22	376.62	5.14	-39.08
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(CC)O1	REAL300020299940	1	51	-1.0	-44.23	376.67	5.14	-39.09
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299941	0	51	-1.0	-46.93	406.10	5.16	-41.77
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299941	1	51	-1.0	-46.95	406.15	5.17	-41.78
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020299942	0	51	-1.0	-40.67	385.38	7.73	-32.94
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020299942	1	51	-1.0	-40.68	385.45	7.73	-32.95
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020299943	0	48	-1.0	-49.29	361.83	6.61	-42.68
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020299943	1	48	-1.0	-49.27	361.78	6.60	-42.67
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299944	0	48	-1.0	-48.40	369.50	2.63	-45.77
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299944	1	48	-1.0	-48.43	369.56	2.65	-45.78
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299945	0	45	-1.0	-51.38	344.92	2.07	-49.31
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299945	1	45	-1.0	-51.40	344.96	2.09	-49.31
C(CC1=NN=C(N2CCC(C3CCCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299946	0	54	-1.0	-43.56	391.59	8.25	-35.31
C(CC1=NN=C(N2CCC(C3CCCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299946	1	54	-1.0	-43.56	391.65	8.27	-35.29
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCC3)C2)N1C1CCOC1	REAL300020299947	0	51	-1.0	-45.10	368.70	6.73	-38.37
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCC3)C2)N1C1CCOC1	REAL300020299947	1	51	-1.0	-45.14	368.73	6.73	-38.41
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2=CC=CC=C21	REAL300020299948	0	48	-1.0	-41.71	377.03	9.18	-32.53
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2=CC=CC=C21	REAL300020299948	1	48	-1.0	-41.71	377.09	9.19	-32.52
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2=CC=CC=C21	REAL300020299949	0	45	-1.0	-46.37	339.63	8.64	-37.73
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2=CC=CC=C21	REAL300020299949	1	45	-1.0	-46.41	339.58	8.63	-37.78
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299950	0	54	-1.0	-42.32	417.27	8.02	-34.30
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299950	1	54	-1.0	-42.33	417.33	8.04	-34.29
COCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299951	0	57	0.0	-67.52	404.21	4.72	-62.80
COCC(C)(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299951	1	56	-1.0	-44.86	402.05	2.60	-42.26
COCC(C)(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299951	1	56	-1.0	-44.82	402.09	2.60	-42.22
C1=CN(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)N=N1	REAL300020299952	0	50	-1.0	-49.36	386.29	4.52	-44.84
C1=CN(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)N=N1	REAL300020299952	1	50	-1.0	-49.38	386.25	4.51	-44.87
C1=CN(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)N=N1	REAL300020299953	0	47	-1.0	-46.14	366.02	4.76	-41.38
C1=CN(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)N=N1	REAL300020299953	1	47	-1.0	-46.14	365.96	4.74	-41.40
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)[C@H](C)C1	REAL300020299954	0	50	-1.0	-39.81	375.46	5.62	-34.19
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)[C@H](C)C1	REAL300020299954	1	50	-1.0	-39.83	375.51	5.64	-34.19
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)[C@H](C)C1	REAL300020299955	0	47	-1.0	-42.78	353.67	4.53	-38.25
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)[C@H](C)C1	REAL300020299955	1	47	-1.0	-42.73	353.73	4.56	-38.17
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)[C@H](C)C1	REAL300020299956	0	54	-1.0	-42.88	396.06	6.70	-36.18
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)[C@H](C)C1	REAL300020299956	1	54	-1.0	-42.88	396.09	6.69	-36.19
CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299957	0	51	-1.0	-44.30	399.74	7.70	-36.60
CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299957	1	51	-1.0	-44.28	399.76	7.71	-36.57
CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299958	0	48	-1.0	-46.95	383.86	7.42	-39.53
CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299958	1	48	-1.0	-46.92	384.41	7.37	-39.55
C(CC1=NN=C(N2CCOC3(CCSC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299959	0	50	-1.0	-42.71	381.63	5.06	-37.65
C(CC1=NN=C(N2CCOC3(CCSC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299959	1	50	-1.0	-42.70	381.68	5.07	-37.63
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC3(CCSC3)C2)N1C1CCOC1	REAL300020299960	0	47	-1.0	-46.61	360.92	4.98	-41.63
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC3(CCSC3)C2)N1C1CCOC1	REAL300020299960	1	47	-1.0	-46.56	360.97	5.00	-41.56
C(CC1=NN=C(N2CC[C@@H]3OCC[C@@H]3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020299961	0	49	-1.0	-41.27	351.10	3.55	-37.72
C(CC1=NN=C(N2CC[C@@H]3OCC[C@@H]3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020299961	1	49	-1.0	-41.28	351.17	3.56	-37.72
C(C1=N[N-]N=N1)C1=NN=C(N2CC[C@@H]3OCC[C@@H]3C2)N1C1CCOC1	REAL300020299962	0	46	-1.0	-45.28	334.06	2.94	-42.34
C(C1=NN=N[N-]1)C1=NN=C(N2CC[C@@H]3OCC[C@@H]3C2)N1C1CCOC1	REAL300020299962	1	46	-1.0	-45.32	334.12	2.95	-42.37
CN(CC1(O)CCC2=CC=CC=C21)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299963	0	52	-1.0	-49.37	392.66	6.23	-43.14
CN(CC1(O)CCC2=CC=CC=C21)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299963	1	52	-1.0	-49.33	392.70	6.23	-43.10
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299964	0	54	-1.0	-42.81	404.20	5.55	-37.26
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299964	1	54	-1.0	-42.81	404.25	5.56	-37.25
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299965	0	51	-1.0	-42.80	386.98	5.64	-37.16
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299965	1	51	-1.0	-42.80	387.04	5.67	-37.13
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCOCC3)CC2)N1C1CCOC1	REAL300020299966	0	55	-1.0	-46.30	395.90	5.50	-40.80
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCOCC3)CC2)N1C1CCOC1	REAL300020299966	1	55	-1.0	-46.27	395.97	5.52	-40.75
CC1(C)CCCC1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299967	0	57	-1.0	-46.10	392.71	7.61	-38.49
CC1(C)CCCC1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299967	1	57	-1.0	-46.16	392.76	7.62	-38.54
CC1CC2(CN1C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CCOCC2	REAL300020299968	0	55	-1.0	-40.44	400.50	5.17	-35.27
CC1CC2(CN1C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CCOCC2	REAL300020299968	1	55	-1.0	-40.48	400.56	5.19	-35.29
CC1CC2(CN1C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CCOCC2	REAL300020299969	0	52	-1.0	-42.00	378.19	4.51	-37.49
CC1CC2(CN1C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CCOCC2	REAL300020299969	1	52	-1.0	-41.99	378.24	4.53	-37.46
C#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299970	0	46	-1.0	-45.03	357.67	6.27	-38.76
C#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299970	1	46	-1.0	-45.01	357.72	6.29	-38.72
C#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299971	0	43	-1.0	-41.51	336.90	6.36	-35.15
C#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299971	1	43	-1.0	-41.45	336.84	6.34	-35.11
C#CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020299972	0	50	-1.0	-41.77	401.44	8.81	-32.96
C#CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020299972	1	50	-1.0	-41.73	401.43	8.80	-32.93
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299973	0	49	-1.0	-41.58	375.56	6.72	-34.86
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299973	1	49	-1.0	-41.59	375.61	6.73	-34.86
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299974	0	46	-1.0	-40.66	359.19	7.08	-33.58
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299974	1	46	-1.0	-40.67	359.25	7.11	-33.56
CC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020299975	0	53	-1.0	-53.05	405.65	6.51	-46.54
CC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020299975	1	53	-1.0	-53.01	405.70	6.52	-46.49
CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299976	0	51	-1.0	-43.88	383.90	5.55	-38.33
CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299976	1	51	-1.0	-43.83	383.96	5.56	-38.27
CC(C)O[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299977	0	48	-1.0	-49.32	362.58	4.74	-44.58
CC(C)O[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299977	1	48	-1.0	-49.30	362.64	4.75	-44.55
C1=CN=C(NC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)N=C1	REAL300020299978	0	51	-1.0	-45.65	395.33	6.04	-39.61
C1=CN=C(NC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)N=C1	REAL300020299978	1	51	-1.0	-45.62	395.27	6.02	-39.60
C1=CN=C(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)N=C1	REAL300020299979	0	48	-1.0	-51.62	369.61	4.94	-46.68
C1=CN=C(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)N=C1	REAL300020299979	1	48	-1.0	-51.62	369.55	4.94	-46.68
C1=CC=C(O[C@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299980	0	52	-1.0	-42.40	391.52	5.81	-36.59
C1=CC=C(O[C@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299980	1	52	-1.0	-42.48	391.58	5.82	-36.66
C1=CC=C(O[C@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020299981	0	49	-1.0	-48.99	373.65	6.59	-42.40
C1=CC=C(O[C@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020299981	1	49	-1.0	-49.01	373.70	6.59	-42.42
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C	REAL300020299982	0	57	0.0	-66.08	402.06	4.96	-61.12
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C	REAL300020299982	1	57	0.0	-66.88	400.47	4.74	-62.14
COCCN1[C@H](C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1C	REAL300020299982	1	56	-1.0	-45.94	404.23	3.49	-42.45
COCCN1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C	REAL300020299982	1	56	-1.0	-45.98	404.28	3.50	-42.48
CC(=O)NCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020299983	0	47	-1.0	-44.95	364.76	2.01	-42.94
CC(=O)NCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020299983	1	47	-1.0	-44.92	364.85	2.02	-42.90
CC(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020299984	0	44	-1.0	-49.28	347.76	1.85	-47.43
CC(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020299984	1	44	-1.0	-49.32	347.81	1.86	-47.46
CC(=O)NCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020299985	0	51	-1.0	-45.54	398.70	5.31	-40.23
CC(=O)NCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020299985	1	51	-1.0	-45.50	398.43	5.25	-40.25
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1C	REAL300020299986	0	50	-1.0	-42.74	379.55	5.31	-37.43
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1C	REAL300020299986	1	50	-1.0	-42.75	379.61	5.32	-37.43
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1C	REAL300020299987	0	47	-1.0	-50.21	362.44	5.02	-45.19
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1C	REAL300020299987	1	47	-1.0	-50.22	362.52	5.03	-45.19
FC1=CC2=C(C=C1F)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020299988	0	45	-1.0	-40.59	364.72	7.29	-33.30
FC1=CC2=C(C=C1F)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020299988	1	45	-1.0	-40.57	364.76	7.30	-33.27
FC1=CC2=C(C=C1F)CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020299989	0	42	-1.0	-43.47	339.01	6.18	-37.29
FC1=CC2=C(C=C1F)CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020299989	1	42	-1.0	-43.46	338.96	6.18	-37.28
COC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020299990	0	49	-1.0	-44.57	379.65	6.23	-38.34
COC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020299990	1	49	-1.0	-44.54	379.71	6.24	-38.30
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020299991	0	46	-1.0	-43.37	364.91	6.44	-36.93
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020299991	1	46	-1.0	-43.32	364.85	6.41	-36.91
N#CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020299992	0	46	-1.0	-45.64	371.01	7.32	-38.32
N#CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020299992	1	46	-1.0	-45.62	371.07	7.33	-38.29
N#CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020299993	0	43	-1.0	-43.16	356.26	7.53	-35.63
N#CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020299993	1	43	-1.0	-43.12	356.20	7.50	-35.62
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299994	0	46	-1.0	-42.78	360.07	6.17	-36.61
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299994	1	46	-1.0	-42.75	360.13	6.19	-36.56
C#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020299995	0	43	-1.0	-41.65	339.19	6.38	-35.27
C#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020299995	1	43	-1.0	-41.64	339.13	6.36	-35.28
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020299996	0	50	-1.0	-42.79	386.02	9.29	-33.50
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020299996	1	50	-1.0	-42.79	386.06	9.29	-33.50
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1C1CC1	REAL300020299997	0	51	-1.0	-44.06	392.39	6.24	-37.82
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1C1CC1	REAL300020299997	1	51	-1.0	-44.10	392.45	6.24	-37.86
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299998	0	59	0.0	-69.27	412.00	6.92	-62.35
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299998	1	59	0.0	-69.25	411.95	6.91	-62.34
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020299999	0	56	0.0	-66.26	386.76	5.98	-60.28
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020299999	1	56	0.0	-66.21	386.82	5.99	-60.22
CC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020300000	0	45	-1.0	-40.20	363.47	3.80	-36.40
CC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020300000	1	45	-1.0	-40.25	363.52	3.81	-36.44
CC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020300001	0	42	-1.0	-43.65	339.35	2.37	-41.28
CC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020300001	1	42	-1.0	-43.67	339.40	2.38	-41.29
C(CC1=NN=C(N2CCCC(OC3CCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300002	0	55	-1.0	-42.03	419.38	7.80	-34.23
C(CC1=NN=C(N2CCCC(OC3CCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300002	1	55	-1.0	-42.09	419.44	7.82	-34.27
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(OC3CCC3)C2)N1C1CCOC1	REAL300020300003	0	52	-1.0	-45.00	395.66	5.92	-39.08
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(OC3CCC3)C2)N1C1CCOC1	REAL300020300003	1	52	-1.0	-45.04	395.71	5.93	-39.11
CN1C=NN=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300004	0	49	-1.0	-46.88	370.09	6.29	-40.59
CN1C=NN=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300004	1	49	-1.0	-46.89	370.03	6.28	-40.61
C(CC1=NN=C(N2CCCC2CC2CCCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300005	0	57	-1.0	-42.23	412.54	7.42	-34.81
C(CC1=NN=C(N2CCCC2CC2CCCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300005	1	57	-1.0	-42.25	412.59	7.43	-34.82
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2CC2CCCC2)N1C1CCOC1	REAL300020300006	0	54	-1.0	-46.58	390.13	6.72	-39.86
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2CC2CCCC2)N1C1CCOC1	REAL300020300006	1	54	-1.0	-46.54	390.18	6.73	-39.81
COC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300007	0	52	-1.0	-48.59	387.57	1.98	-46.61
COC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300007	1	52	-1.0	-48.58	387.63	2.00	-46.58
COC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300008	0	49	-1.0	-47.16	370.71	2.27	-44.89
COC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300008	1	49	-1.0	-47.13	370.78	2.28	-44.85
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2(CCCCC2)O1	REAL300020300009	0	55	-1.0	-40.71	392.72	6.36	-34.35
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2(CCCCC2)O1	REAL300020300009	1	55	-1.0	-40.76	392.78	6.37	-34.39
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300010	0	56	0.0	-65.55	402.73	6.77	-58.78
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300010	1	56	0.0	-65.56	402.80	6.78	-58.78
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300011	0	53	0.0	-64.50	386.76	6.70	-57.80
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300011	1	53	0.0	-64.48	386.82	6.73	-57.75
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCC2=CC=C(F)C=C21	REAL300020300012	0	51	-1.0	-45.29	363.50	5.55	-39.74
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCC2=CC=C(F)C=C21	REAL300020300012	1	51	-1.0	-45.31	363.56	5.54	-39.77
FC1(F)CC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300013	0	45	-1.0	-42.56	348.23	4.83	-37.73
FC1(F)CC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300013	1	45	-1.0	-42.58	348.29	4.85	-37.73
FC1(F)CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300014	0	42	-1.0	-44.38	330.10	4.60	-39.78
FC1(F)CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300014	1	42	-1.0	-44.40	330.16	4.60	-39.80
N#CC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300015	0	46	-1.0	-49.73	371.20	6.60	-43.13
N#CC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300015	1	46	-1.0	-49.72	371.26	6.61	-43.11
N#CC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300016	0	43	-1.0	-54.57	343.00	5.53	-49.04
N#CC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300016	1	43	-1.0	-54.56	342.96	5.53	-49.03
C1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020300017	0	53	-1.0	-44.86	398.80	5.27	-39.59
C1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020300017	1	54	0.0	-67.94	399.71	7.87	-60.07
C1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020300017	1	53	-1.0	-44.93	398.85	5.28	-39.65
FC1(F)C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC21	REAL300020300018	0	42	-1.0	-43.23	330.44	4.85	-38.38
FC1(F)C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC21	REAL300020300018	1	42	-1.0	-43.22	330.55	4.85	-38.37
FC1(F)C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC21	REAL300020300019	0	39	-1.0	-45.83	307.16	4.35	-41.48
FC1(F)C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC21	REAL300020300019	1	39	-1.0	-45.84	307.22	4.37	-41.47
FC1(F)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300020	0	44	-1.0	-41.17	342.93	5.28	-35.89
FC1(F)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300020	1	44	-1.0	-41.17	342.99	5.30	-35.87
FC1(F)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300021	0	41	-1.0	-44.54	322.51	5.20	-39.34
FC1(F)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300021	1	41	-1.0	-44.54	322.55	5.22	-39.32
FC1(F)CC12CCCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300022	0	48	-1.0	-45.34	373.44	7.60	-37.74
FC1(F)CC12CCCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300022	1	48	-1.0	-45.35	373.50	7.62	-37.73
FC1(F)CC12CCCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300023	0	45	-1.0	-48.37	354.74	6.27	-42.10
FC1(F)CC12CCCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300023	1	45	-1.0	-48.38	354.79	6.29	-42.09
CCN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C(C)C)C=N1	REAL300020300024	0	53	-1.0	-44.81	395.25	5.97	-38.84
CCN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C(C)C)C=N1	REAL300020300024	1	53	-1.0	-44.84	395.20	5.97	-38.87
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@H](C)O1	REAL300020300025	0	51	-1.0	-44.21	394.09	4.71	-39.50
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)O1	REAL300020300025	1	51	-1.0	-44.24	394.16	4.72	-39.52
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H](C)O1	REAL300020300026	0	48	-1.0	-45.34	383.63	5.43	-39.91
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)O1	REAL300020300026	1	48	-1.0	-45.37	383.69	5.45	-39.92
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2(CCC2)O1	REAL300020300027	0	52	-1.0	-41.28	390.24	6.29	-34.99
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2(CCC2)O1	REAL300020300027	1	52	-1.0	-41.30	390.30	6.30	-35.00
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2(CCC2)O1	REAL300020300028	0	49	-1.0	-42.42	371.89	4.83	-37.59
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2(CCC2)O1	REAL300020300028	1	49	-1.0	-42.38	371.94	4.83	-37.55
CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300029	0	51	-1.0	-43.74	386.41	5.18	-38.56
CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300029	1	51	-1.0	-43.77	386.47	5.20	-38.57
CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300030	0	48	-1.0	-44.98	361.28	4.28	-40.70
CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300030	1	48	-1.0	-44.97	361.34	4.28	-40.69
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCCOC1	REAL300020300031	0	51	-1.0	-45.70	370.95	4.43	-41.27
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCCOC1	REAL300020300031	1	51	-1.0	-45.74	371.00	4.45	-41.29
CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCCOC1	REAL300020300032	0	48	-1.0	-47.80	356.10	3.61	-44.19
CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCCOC1	REAL300020300032	1	48	-1.0	-47.84	356.14	3.62	-44.22
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2(CCCC2)O1	REAL300020300033	0	55	-1.0	-40.27	409.90	7.39	-32.88
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2(CCCC2)O1	REAL300020300033	1	55	-1.0	-40.29	409.97	7.40	-32.89
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C[C@@]12COC[C@]1(C)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300083	1	52	-1.0	-40.64	387.27	5.33	-35.31
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CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300099	0	54	-1.0	-46.92	399.20	9.57	-37.35
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CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCC2=CC=CC=C21	REAL300020300100	0	54	-1.0	-48.09	363.14	6.03	-42.06
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCC2=CC=CC=C21	REAL300020300100	1	54	-1.0	-48.08	363.19	6.03	-42.05
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C(CC1=NN=C(N2CCCC3(CCCC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300103	1	57	-1.0	-44.43	395.72	8.29	-36.14
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCC3)CC2)N1C1CCOC1	REAL300020300104	0	54	-1.0	-42.28	367.30	7.49	-34.79
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CC1(C2CC2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300114	0	52	-1.0	-41.51	381.51	5.41	-36.10
CC1(C2CC2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300114	1	52	-1.0	-41.57	381.58	5.42	-36.15
CC1(C2CC2)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300115	0	49	-1.0	-44.34	360.08	4.98	-39.36
CC1(C2CC2)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300115	1	49	-1.0	-44.20	357.49	4.96	-39.24
C1=CC=C(OC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020300116	0	52	-1.0	-45.90	401.02	6.97	-38.93
C1=CC=C(OC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020300116	1	52	-1.0	-45.88	401.07	6.99	-38.89
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CC(C(C)(C)C)C1	REAL300020300117	0	56	-1.0	-44.22	409.96	7.52	-36.70
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CC(C(C)(C)C)C1	REAL300020300117	1	56	-1.0	-44.19	410.02	7.53	-36.66
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC(C(C)(C)C)C1	REAL300020300118	0	53	-1.0	-42.72	374.44	6.45	-36.27
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC(C(C)(C)C)C1	REAL300020300118	1	53	-1.0	-42.73	374.49	6.46	-36.27
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@@H](C)O1	REAL300020300119	0	51	-1.0	-48.10	394.22	5.16	-42.94
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@@H](C)O1	REAL300020300119	1	51	-1.0	-48.09	394.28	5.18	-42.91
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@@H](C)O1	REAL300020300120	0	48	-1.0	-47.39	373.81	4.38	-43.01
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H](C)O1	REAL300020300120	1	48	-1.0	-47.26	373.95	4.35	-42.91
CCC1(CC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300121	0	56	-1.0	-39.86	391.01	7.36	-32.50
CCC1(CC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300121	1	56	-1.0	-39.85	391.08	7.37	-32.48
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300122	0	53	-1.0	-47.22	375.46	7.33	-39.89
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300122	1	53	-1.0	-47.20	375.51	7.34	-39.86
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCN1S(C)(=O)=O	REAL300020300123	0	49	-1.0	-49.30	375.98	1.85	-47.45
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCN1S(C)(=O)=O	REAL300020300123	1	49	-1.0	-49.31	376.02	1.86	-47.45
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FCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300126	0	50	-1.0	-43.09	374.70	6.30	-36.79
FCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300126	1	50	-1.0	-43.08	374.76	6.31	-36.77
FCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300127	0	47	-1.0	-45.06	350.16	5.28	-39.78
FCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300127	1	47	-1.0	-45.04	350.21	5.30	-39.74
COCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300128	0	57	-1.0	-46.01	425.47	6.28	-39.73
COCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300128	1	57	-1.0	-46.02	425.53	6.29	-39.73
COCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300129	0	54	-1.0	-46.24	401.17	5.39	-40.85
COCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300129	1	54	-1.0	-46.22	401.24	5.40	-40.82
CC12COCC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300130	0	49	-1.0	-45.43	354.52	3.67	-41.76
CC12COCC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300130	1	49	-1.0	-45.44	354.58	3.68	-41.76
CC12COCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300131	0	46	-1.0	-47.44	341.21	3.31	-44.13
CC12COCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300131	1	46	-1.0	-47.43	341.30	3.31	-44.12
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@H](C)O1	REAL300020300132	0	51	-1.0	-44.55	371.77	5.47	-39.08
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)O1	REAL300020300132	1	51	-1.0	-44.58	371.82	5.48	-39.10
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H](C)O1	REAL300020300133	0	48	-1.0	-46.85	348.11	5.47	-41.38
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)O1	REAL300020300133	1	48	-1.0	-46.88	348.16	5.49	-41.39
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300134	0	50	-1.0	-44.13	389.97	7.58	-36.55
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300134	1	50	-1.0	-44.13	389.91	7.57	-36.56
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FC1(F)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300135	1	47	-1.0	-42.27	350.24	5.93	-36.34
FC1(F)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300136	0	44	-1.0	-43.68	325.26	5.22	-38.46
FC1(F)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300136	1	44	-1.0	-43.64	325.32	5.22	-38.42
CC(C)C1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=CS1	REAL300020300137	0	49	-1.0	-44.33	393.54	5.53	-38.80
CC(C)C1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=CS1	REAL300020300137	1	49	-1.0	-44.30	393.59	5.54	-38.76
CN(CC1=CN(C)N=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300138	0	46	-1.0	-44.97	376.06	3.67	-41.30
CN(CC1=CN(C)N=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300138	1	46	-1.0	-44.99	376.12	3.68	-41.31
CN(CC1=CN(C)N=N1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300139	0	43	-1.0	-52.03	344.23	2.99	-49.04
CN(CC1=CN(C)N=N1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300139	1	43	-1.0	-52.00	344.18	2.97	-49.03
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300140	0	53	-1.0	-41.31	380.29	5.28	-36.03
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300140	1	53	-1.0	-41.32	380.35	5.30	-36.02
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300141	0	50	-1.0	-46.53	368.91	5.76	-40.77
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300141	1	50	-1.0	-46.62	368.96	5.78	-40.84
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCCO3)CC2)N1C1CCOC1	REAL300020300142	0	55	-1.0	-45.94	401.43	6.04	-39.90
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCCO3)CC2)N1C1CCOC1	REAL300020300142	1	55	-1.0	-45.91	401.50	6.06	-39.85
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(C3CCCCO3)C2)N1C1CCOC1	REAL300020300143	0	55	-1.0	-50.49	402.14	6.63	-43.86
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(C3CCCCO3)C2)N1C1CCOC1	REAL300020300143	1	55	-1.0	-50.46	402.18	6.63	-43.83
C(CC1=NN=C(N2CC3(C2)CCCO3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300144	0	46	-1.0	-40.85	349.46	4.58	-36.27
C(CC1=NN=C(N2CC3(C2)CCCO3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300144	1	46	-1.0	-40.83	349.51	4.59	-36.24
C(C1=N[N-]N=N1)C1=NN=C(N2CC3(C2)CCCO3)N1C1CCOC1	REAL300020300145	0	43	-1.0	-42.78	343.59	2.88	-39.90
C(C1=NN=N[N-]1)C1=NN=C(N2CC3(C2)CCCO3)N1C1CCOC1	REAL300020300145	1	43	-1.0	-42.81	343.65	2.90	-39.91
C1=CC(C2=NN=C(N3CC4(C3)CCCO4)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020300146	0	50	-1.0	-42.67	389.06	6.04	-36.63
C1=CC(C2=NN=C(N3CC4(C3)CCCO4)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020300146	1	50	-1.0	-42.70	389.12	6.03	-36.67
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300147	0	51	-1.0	-54.71	377.09	3.36	-51.35
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300147	1	51	-1.0	-54.71	377.16	3.36	-51.35
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300148	0	48	-1.0	-62.90	354.37	3.47	-59.43
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300148	1	48	-1.0	-62.84	354.42	3.47	-59.37
C(CC1=NN=C(N2CCSC3CCC32)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300149	0	46	-1.0	-44.71	355.65	6.54	-38.17
C(CC1=NN=C(N2CCSC3CCC32)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300149	1	46	-1.0	-44.68	355.71	6.55	-38.13
C(C1=N[N-]N=N1)C1=NN=C(N2CCSC3CCC32)N1C1CCOC1	REAL300020300150	0	43	-1.0	-39.97	325.99	5.40	-34.57
C(C1=NN=N[N-]1)C1=NN=C(N2CCSC3CCC32)N1C1CCOC1	REAL300020300150	1	43	-1.0	-39.98	326.05	5.42	-34.56
CNC(=O)NCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300151	0	51	-1.0	-52.41	391.74	-0.78	-53.19
CNC(=O)NCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300151	1	51	-1.0	-52.40	391.79	-0.78	-53.18
CN1C2=CC=CC=C2CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020300152	0	49	-1.0	-45.05	375.48	5.53	-39.52
CN1C2=CC=CC=C2CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020300152	1	49	-1.0	-45.05	375.43	5.52	-39.53
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(C(N)=O)O1	REAL300020300153	0	49	-1.0	-44.94	377.55	1.34	-43.60
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(C(N)=O)O1	REAL300020300153	1	49	-1.0	-44.97	377.60	1.36	-43.61
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C(N)=O)O1	REAL300020300154	0	46	-1.0	-52.29	354.53	0.73	-51.56
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C(N)=O)O1	REAL300020300154	1	46	-1.0	-52.32	354.59	0.74	-51.58
CC1=NOC(C23CC(C2)CN3C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020300155	0	50	-1.0	-45.05	401.03	3.69	-41.36
CC1=NOC(C23CC(C2)CN3C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020300155	1	50	-1.0	-45.08	401.09	3.70	-41.38
CC1=NOC(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020300156	0	47	-1.0	-46.01	378.49	3.04	-42.97
CC1=NOC(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020300156	1	47	-1.0	-45.99	378.55	3.05	-42.94
CC1C(C(F)(F)F)OCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300157	0	45	-1.0	-41.70	355.60	3.95	-37.75
CC1C(C(F)(F)F)OCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300157	1	45	-1.0	-41.72	355.65	3.97	-37.75
COC(=O)C1(OC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300158	0	51	-1.0	-44.63	388.17	3.87	-40.76
COC(=O)C1(OC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300158	1	51	-1.0	-44.61	388.23	3.88	-40.73
COC(=O)C1(OC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300159	0	48	-1.0	-46.42	369.15	3.41	-43.01
COC(=O)C1(OC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300159	1	48	-1.0	-46.43	369.20	3.44	-42.99
FC1=CC=CC=C1CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300160	0	51	-1.0	-46.52	395.77	8.68	-37.84
FC1=CC=CC=C1CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300160	1	51	-1.0	-46.51	395.82	8.68	-37.83
COC(=O)N(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300161	0	51	-1.0	-48.92	395.83	4.00	-44.92
COC(=O)N(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300161	1	51	-1.0	-48.91	395.90	4.00	-44.91
COC(=O)N(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300162	0	48	-1.0	-49.77	378.80	3.85	-45.92
COC(=O)N(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300162	1	48	-1.0	-49.82	378.85	3.86	-45.96
NC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCN1C1CC1	REAL300020300163	0	51	-1.0	-45.94	386.97	0.62	-45.32
NC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCN1C1CC1	REAL300020300163	1	51	-1.0	-45.89	387.03	0.64	-45.25
CN(CC1(C)COC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300164	0	48	-1.0	-42.48	361.33	3.74	-38.74
CN(CC1(C)COC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300164	1	48	-1.0	-42.52	361.39	3.75	-38.77
CN(CC1(C)COC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300165	0	45	-1.0	-45.48	337.40	3.79	-41.69
CN(CC1(C)COC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300165	1	45	-1.0	-45.47	337.45	3.79	-41.68
CN(CC1(C)COC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300166	0	52	-1.0	-44.40	390.58	5.90	-38.50
CN(CC1(C)COC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300166	1	52	-1.0	-44.36	390.61	5.89	-38.47
CCC(CC)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300167	0	58	-1.0	-40.70	418.30	7.68	-33.02
CCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300167	1	58	-1.0	-40.71	418.37	7.68	-33.03
CCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300168	0	55	-1.0	-44.74	401.34	7.56	-37.18
CCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300168	1	55	-1.0	-44.69	401.38	7.57	-37.12
C(CC1=NN=C(N2CCCC(C3CCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300169	0	54	-1.0	-40.30	405.13	9.01	-31.29
C(CC1=NN=C(N2CCCC(C3CCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300169	1	54	-1.0	-40.28	405.18	9.02	-31.26
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(C3CCC3)C2)N1C1CCOC1	REAL300020300170	0	51	-1.0	-43.08	381.39	7.13	-35.95
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(C3CCC3)C2)N1C1CCOC1	REAL300020300170	1	51	-1.0	-43.09	381.45	7.14	-35.95
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)=NO1	REAL300020300171	0	50	-1.0	-48.85	385.70	5.99	-42.86
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)=NO1	REAL300020300171	1	50	-1.0	-48.80	385.76	6.00	-42.80
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=NO1	REAL300020300172	0	47	-1.0	-48.84	360.57	5.08	-43.76
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=NO1	REAL300020300172	1	47	-1.0	-48.84	360.64	5.09	-43.75
OC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020300173	0	46	-1.0	-45.27	361.17	4.07	-41.20
OC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020300173	1	46	-1.0	-45.30	361.23	4.09	-41.21
OC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020300174	0	43	-1.0	-43.86	346.43	4.28	-39.58
OC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020300174	1	43	-1.0	-43.86	346.37	4.26	-39.60
CCCCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300175	0	61	-1.0	-44.60	447.90	9.19	-35.41
CCCCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300175	1	61	-1.0	-44.63	447.96	9.20	-35.43
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C(F)F)O1	REAL300020300176	0	51	-1.0	-42.38	386.57	4.61	-37.77
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C(F)F)O1	REAL300020300176	1	51	-1.0	-42.37	386.63	4.63	-37.74
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C(F)F)O1	REAL300020300177	0	48	-1.0	-44.65	370.49	5.14	-39.51
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C(F)F)O1	REAL300020300177	1	48	-1.0	-44.65	370.54	5.16	-39.49
O=C1CCCN1CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300178	0	52	-1.0	-47.15	382.12	4.54	-42.61
O=C1CCCN1CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300178	1	52	-1.0	-47.17	382.19	4.56	-42.61
O=C1CCCN1CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300179	0	52	-1.0	-47.15	382.12	4.54	-42.61
O=C1CCCN1CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300179	1	52	-1.0	-47.17	382.19	4.56	-42.61
C=C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300180	0	44	-1.0	-40.52	337.74	4.86	-35.66
C=C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300180	1	44	-1.0	-40.54	337.81	4.87	-35.67
C=C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300181	0	41	-1.0	-44.86	318.93	4.64	-40.22
C=C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300181	1	41	-1.0	-44.82	318.88	4.62	-40.20
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300182	0	48	-1.0	-41.22	369.81	8.10	-33.12
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300182	1	48	-1.0	-41.12	370.08	8.13	-32.99
C1=CC=C(O[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020300183	0	52	-1.0	-45.16	399.92	6.83	-38.33
C1=CC=C(O[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020300183	1	52	-1.0	-45.14	399.98	6.85	-38.29
C1=CC=C(O[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020300184	0	49	-1.0	-45.28	377.22	6.57	-38.71
C1=CC=C(O[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020300184	1	49	-1.0	-45.31	377.27	6.59	-38.72
CC1(C(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300185	0	48	-1.0	-42.10	374.72	5.13	-36.97
CC1(C(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300185	1	48	-1.0	-42.07	374.77	5.15	-36.92
CC1(C(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300186	0	45	-1.0	-48.10	349.85	4.18	-43.92
CC1(C(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300186	1	45	-1.0	-48.08	349.90	4.20	-43.88
FC(F)(F)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300187	0	45	-1.0	-45.56	360.70	4.48	-41.08
FC(F)(F)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300187	1	45	-1.0	-45.53	360.75	4.49	-41.04
CC(C)(C)C1=NN=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN21	REAL300020300188	0	53	-1.0	-47.51	398.31	6.56	-40.95
CC(C)(C)C1=NN=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN21	REAL300020300188	1	53	-1.0	-47.48	398.36	6.57	-40.91
C(CC1=NN=C(N2CCC3(COC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300189	0	46	-1.0	-42.31	344.40	3.03	-39.28
C(CC1=NN=C(N2CCC3(COC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300189	1	46	-1.0	-42.35	344.46	3.05	-39.30
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(COC3)C2)N1C1CCOC1	REAL300020300190	0	43	-1.0	-47.63	323.98	3.09	-44.54
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(COC3)C2)N1C1CCOC1	REAL300020300190	1	43	-1.0	-47.68	324.04	3.09	-44.59
C1=CC(C2=NN=C(N3CCC4(COC4)C3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020300191	0	50	-1.0	-42.35	382.67	6.60	-35.75
C1=CC(C2=NN=C(N3CCC4(COC4)C3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020300191	1	50	-1.0	-42.33	382.75	6.60	-35.73
CCCCCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300192	0	59	-1.0	-40.67	439.32	7.93	-32.74
CCCCCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300192	1	59	-1.0	-40.70	439.38	7.95	-32.75
CCCCCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300193	0	56	-1.0	-43.60	417.68	6.99	-36.61
CCCCCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300193	1	56	-1.0	-43.64	417.73	7.00	-36.64
C(CC1=NN=C(N2CCCCC2CC2CCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300194	0	57	-1.0	-44.83	419.08	7.32	-37.51
C(CC1=NN=C(N2CCCCC2CC2CCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300194	1	57	-1.0	-44.87	419.13	7.34	-37.53
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC2CC2CCC2)N1C1CCOC1	REAL300020300195	0	54	-1.0	-43.59	390.87	6.52	-37.07
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC2CC2CCC2)N1C1CCOC1	REAL300020300195	1	54	-1.0	-43.60	390.92	6.53	-37.07
CC(C)C1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=N1	REAL300020300196	0	52	-1.0	-45.36	402.07	6.06	-39.30
CC(C)C1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=N1	REAL300020300196	1	52	-1.0	-45.37	402.12	6.08	-39.29
C(CC1=NN=C(N2CCC3CC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300197	0	45	-1.0	-39.93	330.93	5.53	-34.40
C(CC1=NN=C(N2CCC3CC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300197	1	45	-1.0	-39.92	331.00	5.55	-34.37
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CC3C2)N1C1CCOC1	REAL300020300198	0	42	-1.0	-44.24	316.03	5.25	-38.99
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CC3C2)N1C1CCOC1	REAL300020300198	1	42	-1.0	-44.18	315.93	5.25	-38.93
C1=CC(C2=NN=C(N3CCC4CC4C3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020300199	0	49	-1.0	-39.82	373.27	7.74	-32.08
C1=CC(C2=NN=C(N3CCC4CC4C3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020300199	1	49	-1.0	-39.83	373.33	7.73	-32.10
CN1N=CC=C1CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300200	0	54	-1.0	-46.80	402.69	6.19	-40.61
CN1N=CC=C1CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300200	1	54	-1.0	-46.78	402.74	6.19	-40.59
CCN(CC1=CN(CC)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300201	0	53	-1.0	-42.18	409.93	5.14	-37.04
CCN(CC1=CN(CC)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300201	1	53	-1.0	-42.13	409.87	5.13	-37.00
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300202	0	50	-1.0	-45.94	386.71	4.82	-41.12
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300202	1	50	-1.0	-45.98	386.67	4.80	-41.18
CC1=NN=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)S1	REAL300020300203	0	45	-1.0	-42.45	371.67	4.84	-37.61
CC1=NN=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)S1	REAL300020300203	1	45	-1.0	-42.48	371.73	4.86	-37.62
CC1=NN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)S1	REAL300020300204	0	42	-1.0	-46.29	348.94	3.42	-42.87
CC1=NN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)S1	REAL300020300204	1	42	-1.0	-46.26	348.98	3.43	-42.83
CC12CC(C1)CN2C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300205	0	45	-1.0	-40.05	349.63	5.07	-34.98
CC12CC(C1)CN2C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300205	1	45	-1.0	-40.07	349.69	5.09	-34.98
CC12CC(C1)CN2C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300206	0	42	-1.0	-43.90	326.92	4.43	-39.47
CC12CC(C1)CN2C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300206	1	42	-1.0	-43.88	326.87	4.40	-39.48
CC12CC(C1)CN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300207	0	49	-1.0	-41.00	378.16	8.39	-32.61
CC12CC(C1)CN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300207	1	49	-1.0	-41.02	378.18	8.39	-32.63
OC1=CC=C2OCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020300208	0	50	-1.0	-42.52	374.11	2.11	-40.41
OC1=CC=C2OCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020300208	1	50	-1.0	-42.50	374.18	2.12	-40.38
OC1=CC=C2OCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020300209	0	47	-1.0	-45.72	358.02	2.74	-42.98
OC1=CC=C2OCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020300209	1	47	-1.0	-45.72	357.97	2.73	-42.99
CN(CC1=CCSC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300210	0	46	-1.0	-41.27	362.53	5.93	-35.34
CN(CC1=CCSC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300210	1	46	-1.0	-41.28	362.60	5.94	-35.34
CN(CC1=CCSC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300211	0	43	-1.0	-45.25	341.74	6.02	-39.23
CN(CC1=CCSC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300211	1	43	-1.0	-45.26	341.80	6.03	-39.23
C(CC1=NN=C(N2CCC3COCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300212	0	49	-1.0	-42.03	358.90	3.62	-38.41
C(CC1=NN=C(N2CCC3COCC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300212	1	49	-1.0	-42.06	358.96	3.63	-38.43
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3COCC3C2)N1C1CCOC1	REAL300020300213	0	46	-1.0	-44.82	339.17	3.32	-41.50
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3COCC3C2)N1C1CCOC1	REAL300020300213	1	46	-1.0	-44.83	339.23	3.32	-41.51
C(CC1=NN=C(N(CCC2CC2)CC2CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300214	0	54	-1.0	-40.16	404.06	7.29	-32.87
C(CC1=NN=C(N(CCC2CC2)CC2CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300214	1	54	-1.0	-40.16	404.12	7.31	-32.85
C(CN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020300215	0	51	-1.0	-45.83	392.92	7.88	-37.95
C(CN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020300215	1	51	-1.0	-45.85	392.98	7.90	-37.95
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300216	0	54	-1.0	-45.83	403.98	5.50	-40.33
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300216	1	54	-1.0	-45.84	404.03	5.51	-40.33
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300217	0	51	-1.0	-42.54	383.15	5.57	-36.97
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300217	1	51	-1.0	-42.51	383.20	5.59	-36.92
C1=CN=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)N=N1	REAL300020300218	0	50	-1.0	-48.40	393.42	4.71	-43.69
C1=CN=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)N=N1	REAL300020300218	1	50	-1.0	-48.42	393.36	4.70	-43.72
C1=CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)N=N1	REAL300020300219	0	47	-1.0	-45.64	365.14	3.75	-41.89
C1=CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)N=N1	REAL300020300219	1	47	-1.0	-45.66	365.07	3.74	-41.92
O=C1OCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300220	0	50	-1.0	-55.40	377.00	4.11	-51.29
O=C1OCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300220	1	50	-1.0	-55.38	377.07	4.11	-51.27
CCCCCCC(CC)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300221	0	61	-1.0	-45.10	445.71	9.82	-35.28
CCCCCCC(CC)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300221	1	61	-1.0	-45.07	445.76	9.83	-35.24
C#CCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300222	0	49	-1.0	-41.80	389.55	4.32	-37.48
C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300222	1	49	-1.0	-41.81	389.62	4.32	-37.49
C#CCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300223	0	46	-1.0	-46.38	357.16	4.36	-42.02
C#CCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300223	1	46	-1.0	-46.35	357.20	4.37	-41.98
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300224	0	48	-1.0	-38.91	377.40	6.87	-32.04
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300224	1	48	-1.0	-38.88	377.45	6.87	-32.01
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300225	0	45	-1.0	-41.98	355.51	6.06	-35.92
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300225	1	45	-1.0	-42.01	355.45	6.04	-35.97
CC1COC2(CCCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300226	0	55	-1.0	-43.88	406.90	5.13	-38.75
CC1COC2(CCCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300226	1	55	-1.0	-43.85	406.96	5.15	-38.70
CC1COC2(CCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300227	0	52	-1.0	-46.14	380.50	5.88	-40.26
CC1COC2(CCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300227	1	52	-1.0	-46.13	380.56	5.89	-40.24
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(C3CCCCC3)C2)N1C1CCOC1	REAL300020300228	0	57	-1.0	-43.23	411.43	8.13	-35.10
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(C3CCCCC3)C2)N1C1CCOC1	REAL300020300228	1	57	-1.0	-43.22	411.50	8.14	-35.08
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300229	0	54	-1.0	-43.76	402.96	8.04	-35.72
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300229	1	54	-1.0	-43.79	403.01	8.06	-35.73
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300230	0	51	-1.0	-47.05	382.28	8.19	-38.86
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300230	1	51	-1.0	-47.03	382.09	8.22	-38.81
C1=CC=C(C23CC(C2)CN3C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020300231	0	52	-1.0	-41.58	398.26	8.20	-33.38
C1=CC=C(C23CC(C2)CN3C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020300231	1	52	-1.0	-41.58	398.32	8.21	-33.37
C1=CC=C(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020300232	0	49	-1.0	-47.01	367.77	7.04	-39.97
C1=CC=C(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020300232	1	49	-1.0	-47.01	367.71	7.03	-39.98
COC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300233	0	52	-1.0	-48.94	402.68	2.98	-45.96
COC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300233	1	52	-1.0	-48.99	402.74	3.00	-45.99
COC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300234	0	49	-1.0	-47.43	381.02	3.03	-44.40
COC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300234	1	49	-1.0	-47.44	381.08	3.06	-44.38
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC(C3CC3)(C3CC3)C2)N1C1CCOC1	REAL300020300235	0	53	-1.0	-47.12	390.54	6.81	-40.31
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC(C3CC3)(C3CC3)C2)N1C1CCOC1	REAL300020300235	1	53	-1.0	-47.17	390.60	6.82	-40.35
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300236	0	53	-1.0	-45.62	408.46	4.31	-41.31
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300236	1	53	-1.0	-45.57	408.51	4.34	-41.23
C(CC1=NN=C(N2CC3C4COCC4C3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300237	0	50	-1.0	-42.84	379.67	5.17	-37.67
C(CC1=NN=C(N2CC3C4COCC4C3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300237	1	50	-1.0	-42.89	379.73	5.18	-37.71
C(C1=N[N-]N=N1)C1=NN=C(N2CC3C4COCC4C3C2)N1C1CCOC1	REAL300020300238	0	47	-1.0	-46.59	344.32	3.96	-42.63
C(C1=NN=N[N-]1)C1=NN=C(N2CC3C4COCC4C3C2)N1C1CCOC1	REAL300020300238	1	47	-1.0	-46.55	344.36	3.95	-42.60
NC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300239	0	49	-1.0	-52.88	377.83	3.69	-49.19
NC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300239	1	49	-1.0	-52.90	377.88	3.71	-49.19
C(C1=N[N-]N=N1)C1=NN=C(N2CC34COCC3(C2)CCCC4)N1C1CCOC1	REAL300020300240	0	53	-1.0	-42.53	373.53	4.75	-37.78
C(C1=NN=N[N-]1)C1=NN=C(N2CC34COCC3(C2)CCCC4)N1C1CCOC1	REAL300020300240	1	53	-1.0	-42.49	373.59	4.75	-37.74
CN(CC1CC1(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300241	0	50	-1.0	-39.53	375.59	6.39	-33.14
CN(CC1CC1(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300241	1	50	-1.0	-39.56	375.65	6.40	-33.16
CN(CC1CC1(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300242	0	47	-1.0	-44.55	360.57	6.22	-38.33
CN(CC1CC1(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300242	1	47	-1.0	-44.58	360.62	6.23	-38.35
CN(CC1CC1(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300243	0	54	-1.0	-40.83	418.08	9.33	-31.50
CN(CC1CC1(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300243	1	54	-1.0	-40.75	418.11	9.32	-31.43
OCC1CC2CCC1N(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300244	0	52	-1.0	-45.87	379.22	3.67	-42.20
OCC1CC2CCC1N(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300244	1	52	-1.0	-45.82	379.28	3.68	-42.14
OCC1CC2CCC1N(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300245	0	49	-1.0	-53.53	351.80	2.48	-51.05
OCC1CC2CCC1N(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300245	1	49	-1.0	-53.52	351.82	2.49	-51.03
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)O1	REAL300020300246	0	50	-1.0	-45.90	398.07	0.80	-45.10
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)O1	REAL300020300246	1	50	-1.0	-45.91	398.13	0.82	-45.09
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)O1	REAL300020300247	0	47	-1.0	-46.98	375.79	0.19	-46.79
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)O1	REAL300020300247	1	47	-1.0	-47.00	375.85	0.22	-46.78
C[NH+](C)CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300248	0	57	0.0	-68.36	423.05	5.78	-62.58
C[NH+](C)CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300248	1	57	0.0	-68.33	423.10	5.78	-62.55
C(CC1=NN=C(N2CC3CCC(C3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300249	0	48	-1.0	-41.36	346.02	7.31	-34.05
C(CC1=NN=C(N2CC3CCC(C3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300249	1	48	-1.0	-41.42	346.07	7.32	-34.10
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC(C3)C2)N1C1CCOC1	REAL300020300250	0	45	-1.0	-45.59	331.62	6.68	-38.91
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC(C3)C2)N1C1CCOC1	REAL300020300250	1	45	-1.0	-45.65	331.68	6.69	-38.96
C1=CC(C2=NN=C(N3CC4CCC(C4)C3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020300251	0	52	-1.0	-39.95	385.35	9.77	-30.18
C1=CC(C2=NN=C(N3CC4CCC(C4)C3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020300251	1	52	-1.0	-39.97	388.28	9.32	-30.65
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300252	0	54	-1.0	-52.30	410.36	5.05	-47.25
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300252	1	54	-1.0	-52.30	410.41	5.07	-47.23
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300253	0	54	-1.0	-52.20	404.42	3.72	-48.48
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300253	1	54	-1.0	-52.18	404.48	3.73	-48.45
C1=CN=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC2=N1	REAL300020300254	0	46	-1.0	-45.50	361.99	3.45	-42.05
C1=CN=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC2=N1	REAL300020300254	1	46	-1.0	-45.55	362.05	3.47	-42.08
C1=CN=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=N1	REAL300020300255	0	43	-1.0	-53.09	330.09	2.13	-50.96
C1=CN=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=N1	REAL300020300255	1	43	-1.0	-53.09	330.04	2.12	-50.97
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300256	0	48	-1.0	-44.88	371.06	6.06	-38.82
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300256	1	48	-1.0	-44.86	371.12	6.07	-38.79
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300257	0	45	-1.0	-41.54	355.41	6.11	-35.43
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300257	1	45	-1.0	-41.51	355.35	6.09	-35.42
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1C	REAL300020300258	0	53	-1.0	-42.51	400.29	7.31	-35.20
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C	REAL300020300258	1	53	-1.0	-42.52	400.35	7.32	-35.20
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1C	REAL300020300259	0	50	-1.0	-44.57	374.11	5.97	-38.60
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C	REAL300020300259	1	50	-1.0	-44.59	374.17	5.97	-38.62
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300260	0	53	-1.0	-55.29	384.21	4.00	-51.29
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300260	1	53	-1.0	-55.28	384.25	4.00	-51.28
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300261	0	53	-1.0	-50.12	394.22	7.12	-43.00
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300261	1	53	-1.0	-50.13	394.27	7.14	-42.99
CN(CC(=O)N1CCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300262	0	51	-1.0	-41.41	392.94	5.88	-35.53
CN(CC(=O)N1CCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300262	1	51	-1.0	-41.43	393.00	5.90	-35.53
CN(CC(=O)N1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300263	0	48	-1.0	-47.32	370.27	4.53	-42.79
CN(CC(=O)N1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300263	1	48	-1.0	-47.31	370.31	4.54	-42.77
CC(C)CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300264	0	57	-1.0	-42.72	424.49	6.15	-36.57
CC(C)CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300264	1	57	-1.0	-42.82	424.55	6.16	-36.66
CC(C)CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300265	0	54	-1.0	-52.61	399.90	6.70	-45.91
CC(C)CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300265	1	54	-1.0	-52.63	399.95	6.71	-45.92
O=C1NCCN1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300266	0	51	-1.0	-54.06	389.83	3.99	-50.07
O=C1NCCN1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300266	1	51	-1.0	-54.13	389.89	4.02	-50.11
CS(=O)(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300267	0	49	-1.0	-54.96	387.35	0.47	-54.49
CS(=O)(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300267	1	49	-1.0	-54.94	387.41	0.48	-54.46
O=C(NCCO)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300268	0	52	-1.0	-46.52	400.90	0.93	-45.59
O=C(NCCO)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300268	1	52	-1.0	-46.49	400.96	0.96	-45.53
FC(F)(F)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300269	0	47	-1.0	-44.58	370.48	7.34	-37.24
FC(F)(F)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300269	1	47	-1.0	-44.59	370.53	7.36	-37.23
FC(F)(F)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300270	0	44	-1.0	-43.57	339.89	5.31	-38.26
FC(F)(F)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300270	1	44	-1.0	-43.56	339.94	5.31	-38.25
CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300271	0	47	-1.0	-44.98	361.67	6.06	-38.92
CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300271	1	47	-1.0	-45.00	361.73	6.07	-38.93
CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300272	0	44	-1.0	-43.47	333.20	5.11	-38.36
CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300272	1	44	-1.0	-43.50	333.26	5.12	-38.38
CC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020300273	0	51	-1.0	-43.91	392.77	9.69	-34.22
CC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020300273	1	51	-1.0	-43.92	392.77	9.67	-34.25
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300274	0	53	-1.0	-40.44	397.59	8.92	-31.52
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300274	1	53	-1.0	-40.47	397.65	8.92	-31.55
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300275	0	50	-1.0	-44.76	368.90	8.06	-36.70
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300275	1	50	-1.0	-44.80	368.85	8.05	-36.75
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300276	0	53	-1.0	-41.74	392.86	7.77	-33.97
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300276	1	53	-1.0	-41.71	392.92	7.80	-33.91
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300277	0	50	-1.0	-45.10	377.37	7.15	-37.95
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300277	1	50	-1.0	-45.09	377.32	7.14	-37.95
C(CC1=NN=C(N2CCCC3(CC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300278	0	51	-1.0	-45.03	372.58	6.41	-38.62
C(CC1=NN=C(N2CCCC3(CC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300278	1	51	-1.0	-45.06	372.64	6.43	-38.63
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CC3)CC2)N1C1CCOC1	REAL300020300279	0	48	-1.0	-45.45	347.37	5.53	-39.92
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CC3)CC2)N1C1CCOC1	REAL300020300279	1	48	-1.0	-45.46	347.43	5.53	-39.93
CC=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300280	0	54	-1.0	-39.99	412.84	9.14	-30.85
CC=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300280	1	54	-1.0	-39.98	412.89	9.17	-30.81
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300281	0	51	-1.0	-42.33	389.11	7.26	-35.07
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300281	1	51	-1.0	-42.31	389.17	7.27	-35.04
COCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300282	0	52	-1.0	-42.07	396.18	4.27	-37.80
COCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300282	1	52	-1.0	-42.04	396.24	4.28	-37.76
COCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300283	0	49	-1.0	-46.14	371.41	3.31	-42.83
COCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300283	1	49	-1.0	-46.17	371.47	3.33	-42.84
N#CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300284	0	49	-1.0	-50.93	386.97	7.92	-43.01
N#CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300284	1	49	-1.0	-50.91	387.02	7.93	-42.98
NC(=O)CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300285	0	49	-1.0	-46.93	378.37	0.97	-45.96
NC(=O)CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300285	1	49	-1.0	-46.94	378.43	0.98	-45.96
NC(=O)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300286	0	46	-1.0	-49.02	352.70	-0.12	-49.14
NC(=O)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300286	1	46	-1.0	-49.03	352.76	-0.11	-49.14
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2=CC=CC=C21	REAL300020300287	0	51	-1.0	-40.48	393.74	9.68	-30.80
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2=CC=CC=C21	REAL300020300287	1	51	-1.0	-40.46	393.80	9.69	-30.77
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2=CC=CC=C21	REAL300020300288	0	48	-1.0	-49.52	362.63	9.01	-40.51
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2=CC=CC=C21	REAL300020300288	1	48	-1.0	-49.53	362.57	9.01	-40.52
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCSCC3)CC2)N1C1CCOC1	REAL300020300289	0	52	-1.0	-41.50	371.03	6.58	-34.92
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCSCC3)CC2)N1C1CCOC1	REAL300020300289	1	52	-1.0	-41.51	371.09	6.60	-34.91
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300290	0	59	0.0	-66.47	410.42	8.22	-58.25
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300290	1	59	0.0	-66.46	410.48	8.24	-58.22
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300291	0	56	0.0	-69.83	369.25	5.71	-64.12
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300291	1	56	0.0	-69.86	369.30	5.71	-64.15
CC1CC(F)(F)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300292	0	47	-1.0	-40.71	367.52	4.85	-35.86
CC1CC(F)(F)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300292	1	47	-1.0	-40.72	367.57	4.86	-35.86
CC1CC(F)(F)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300293	0	44	-1.0	-44.36	334.54	3.73	-40.63
CC1CC(F)(F)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300293	1	44	-1.0	-44.35	334.59	3.73	-40.62
OC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300294	0	49	-1.0	-43.31	379.28	4.43	-38.88
OC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300294	1	49	-1.0	-43.29	379.33	4.45	-38.84
OC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300295	0	46	-1.0	-46.81	358.89	4.15	-42.66
OC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300295	1	46	-1.0	-46.79	358.84	4.13	-42.66
CC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300296	0	57	0.0	-65.75	397.69	7.50	-58.25
CC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300296	1	57	0.0	-65.78	397.75	7.53	-58.25
OC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1C(F)(F)F	REAL300020300297	0	45	-1.0	-51.30	353.51	2.80	-48.50
OC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1C(F)(F)F	REAL300020300297	1	45	-1.0	-51.35	353.56	2.81	-48.54
CCON1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300298	0	50	-1.0	-44.37	377.85	3.37	-41.00
CCON1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300298	1	50	-1.0	-44.34	377.91	3.39	-40.95
CCON1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300299	0	47	-1.0	-40.93	349.14	2.49	-38.44
CCON1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300299	1	47	-1.0	-40.95	349.19	2.50	-38.45
FCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300300	0	50	-1.0	-45.52	377.72	6.61	-38.91
FCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300300	1	50	-1.0	-45.52	377.78	6.62	-38.90
FCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300301	0	47	-1.0	-42.66	356.07	6.66	-36.00
FCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300301	1	47	-1.0	-42.67	356.12	6.68	-35.99
CCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300302	0	52	-1.0	-42.67	390.83	2.85	-39.82
CCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300302	1	52	-1.0	-42.70	390.89	2.86	-39.84
CCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300303	0	49	-1.0	-47.19	377.87	3.58	-43.61
CCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300303	1	49	-1.0	-47.16	377.93	3.58	-43.58
FC(F)(F)[C@]12CC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300304	0	48	-1.0	-43.61	367.40	6.54	-37.07
FC(F)(F)[C@]12CC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300304	1	48	-1.0	-43.60	367.46	6.55	-37.05
FC(F)(F)[C@]12CC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300305	0	45	-1.0	-48.37	349.29	6.52	-41.85
FC(F)(F)[C@]12CC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300305	1	45	-1.0	-48.36	349.35	6.53	-41.83
CSC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300306	0	48	-1.0	-44.10	373.64	6.25	-37.85
CSC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300306	1	48	-1.0	-44.05	373.70	6.26	-37.79
CSC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300307	0	45	-1.0	-45.19	348.51	5.35	-39.84
CSC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300307	1	45	-1.0	-45.20	348.57	5.35	-39.85
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCCCC1	REAL300020300308	0	59	-1.0	-40.94	421.32	8.31	-32.63
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCCCC1	REAL300020300308	1	59	-1.0	-40.89	421.40	8.32	-32.57
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCCCC1	REAL300020300309	0	56	-1.0	-40.68	405.84	8.84	-31.84
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCCCC1	REAL300020300309	1	56	-1.0	-40.67	405.90	8.87	-31.80
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020300310	0	48	-1.0	-47.54	375.82	2.60	-44.94
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020300310	1	48	-1.0	-47.55	375.88	2.62	-44.93
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020300311	0	45	-1.0	-43.22	339.20	0.91	-42.31
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)[C@H]1C[C@@H](C(N)=O)C1	REAL300020300311	1	45	-1.0	-42.65	341.03	0.90	-41.75
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300312	0	51	-1.0	-54.71	377.09	3.36	-51.35
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300312	1	51	-1.0	-54.71	377.16	3.36	-51.35
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300313	0	48	-1.0	-62.90	354.37	3.47	-59.43
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300313	1	48	-1.0	-62.84	354.42	3.47	-59.37
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1C#N	REAL300020300314	0	48	-1.0	-49.65	368.45	5.18	-44.47
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1C#N	REAL300020300314	1	48	-1.0	-49.58	368.51	5.19	-44.39
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1C#N	REAL300020300315	0	45	-1.0	-45.45	343.55	5.18	-40.27
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1C#N	REAL300020300315	1	45	-1.0	-45.44	343.61	5.20	-40.24
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)[C@@H]1O	REAL300020300316	0	55	-1.0	-43.15	389.31	5.38	-37.77
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)[C@@H]1O	REAL300020300316	1	55	-1.0	-43.17	389.37	5.40	-37.77
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)[C@@H]1O	REAL300020300317	0	52	-1.0	-50.44	374.64	4.17	-46.27
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)[C@@H]1O	REAL300020300317	1	52	-1.0	-50.45	374.70	4.18	-46.27
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020300318	0	51	-1.0	-41.36	396.16	5.94	-35.42
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020300318	1	51	-1.0	-41.36	396.36	5.96	-35.40
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020300319	0	48	-1.0	-46.08	374.50	5.55	-40.53
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020300319	1	48	-1.0	-46.01	374.43	5.53	-40.48
C(CC1=NN=C(N2CC3CCC(C2)O3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300320	0	46	-1.0	-45.78	344.47	4.38	-41.40
C(CC1=NN=C(N2CC3CCC(C2)O3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300320	1	46	-1.0	-45.82	344.53	4.40	-41.42
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCC(C2)O3)N1C1CCOC1	REAL300020300321	0	43	-1.0	-43.44	316.86	4.16	-39.28
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCC(C2)O3)N1C1CCOC1	REAL300020300321	1	43	-1.0	-43.47	316.91	4.19	-39.28
C1=CC(C2=NN=C(N3CC4CCC(C3)O4)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020300322	0	50	-1.0	-44.52	376.09	7.61	-36.91
C1=CC(C2=NN=C(N3CC4CCC(C3)O4)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020300322	1	50	-1.0	-44.45	376.13	7.61	-36.84
COCC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=N1	REAL300020300323	0	50	-1.0	-53.28	385.71	2.80	-50.48
COCC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=N1	REAL300020300323	1	50	-1.0	-53.25	385.76	2.82	-50.43
COC(=O)[C@@]1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1C	REAL300020300324	0	53	-1.0	-44.03	396.45	5.43	-38.60
COC(=O)[C@@]1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C	REAL300020300324	1	53	-1.0	-44.00	396.51	5.45	-38.55
COC(=O)[C@@]1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1C	REAL300020300325	0	50	-1.0	-47.11	375.47	4.97	-42.14
COC(=O)[C@@]1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C	REAL300020300325	1	50	-1.0	-47.18	375.53	4.97	-42.21
C[NH+]1CCC(N2C=C(NC3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C=N2)CC1	REAL300020300326	0	54	0.0	-79.16	412.85	7.50	-71.66
C[NH+]1CCC(N2C=C(NC3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C=N2)CC1	REAL300020300326	1	54	0.0	-79.15	412.79	7.48	-71.67
FCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300327	0	48	-1.0	-43.29	374.64	5.65	-37.64
FCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300327	1	48	-1.0	-43.31	374.70	5.67	-37.64
FCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300328	0	45	-1.0	-46.27	350.19	3.82	-42.45
FCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300328	1	45	-1.0	-46.24	350.24	3.82	-42.42
C1=CC=C([C@H]2C[C@@H]3CN(C4=NN=C(CC5=N[N-]N=N5)N4C4CCOC4)C[C@@H]32)C=C1	REAL300020300329	0	52	-1.0	-50.75	385.23	9.28	-41.47
C1=CC=C([C@H]2C[C@@H]3CN(C4=NN=C(CC5=NN=N[N-]5)N4C4CCOC4)C[C@@H]32)C=C1	REAL300020300329	1	52	-1.0	-50.73	385.28	9.30	-41.43
COC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300330	0	51	-1.0	-43.95	386.44	3.85	-40.10
COC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300330	1	51	-1.0	-43.95	386.49	3.87	-40.08
COC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300331	0	48	-1.0	-41.97	365.92	3.73	-38.24
COC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300331	1	48	-1.0	-41.98	365.97	3.75	-38.23
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300332	0	54	-1.0	-48.75	408.88	5.87	-42.88
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300332	1	54	-1.0	-48.77	408.93	5.88	-42.89
C1=NC(C2CC2)=NC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020300333	0	50	-1.0	-45.76	391.08	6.53	-39.23
C1=NC(C2CC2)=NC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020300333	1	50	-1.0	-45.77	391.13	6.55	-39.22
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCS1(=O)=O	REAL300020300334	0	47	-1.0	-47.20	367.77	1.72	-45.48
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCS1(=O)=O	REAL300020300334	1	47	-1.0	-47.23	367.84	1.72	-45.51
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCS1(=O)=O	REAL300020300335	0	44	-1.0	-47.57	345.10	0.79	-46.78
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCS1(=O)=O	REAL300020300335	1	44	-1.0	-47.55	345.15	0.79	-46.76
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCN1C1CC1	REAL300020300336	0	51	-1.0	-45.45	388.91	3.90	-41.55
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCN1C1CC1	REAL300020300336	1	51	-1.0	-45.48	388.97	3.91	-41.57
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCN1C1CC1	REAL300020300337	0	48	-1.0	-46.62	363.53	2.81	-43.81
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCN1C1CC1	REAL300020300337	1	48	-1.0	-46.62	363.58	2.83	-43.79
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300338	0	49	-1.0	-47.20	380.12	5.53	-41.67
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300338	1	49	-1.0	-47.17	380.17	5.55	-41.62
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300339	0	46	-1.0	-52.38	356.55	5.06	-47.32
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300339	1	46	-1.0	-52.39	356.51	5.04	-47.35
CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020300340	0	41	-1.0	-45.40	336.57	5.28	-40.12
CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020300340	1	41	-1.0	-45.42	336.51	5.26	-40.16
CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020300341	0	38	-1.0	-48.08	312.35	4.43	-43.65
CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020300341	1	38	-1.0	-48.05	312.29	4.40	-43.65
CN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C=N1	REAL300020300342	0	45	-1.0	-47.45	369.89	7.38	-40.07
CN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C=N1	REAL300020300342	1	45	-1.0	-47.46	369.84	7.39	-40.07
FC(F)(F)[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300343	0	47	-1.0	-44.88	364.02	5.58	-39.30
FC(F)(F)[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300343	1	47	-1.0	-44.88	364.08	5.59	-39.29
FC(F)(F)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300344	0	44	-1.0	-45.79	347.90	5.92	-39.87
FC(F)(F)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300344	1	44	-1.0	-45.76	347.95	5.94	-39.82
C1=CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]2C1	REAL300020300345	0	49	-1.0	-46.15	361.42	6.27	-39.88
C1=CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]2C1	REAL300020300345	1	49	-1.0	-46.14	361.49	6.28	-39.86
C1=CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]2C1	REAL300020300346	0	46	-1.0	-43.08	332.23	5.44	-37.64
C1=CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]2C1	REAL300020300346	1	46	-1.0	-43.06	332.29	5.45	-37.61
CN1C(=O)[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@H]2C1=O	REAL300020300347	0	48	-1.0	-44.94	369.99	4.27	-40.67
CN1C(=O)[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@H]2C1=O	REAL300020300347	1	48	-1.0	-45.01	370.05	4.29	-40.72
CN1C(=O)[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@H]2C1=O	REAL300020300348	0	45	-1.0	-47.27	347.36	2.56	-44.71
CN1C(=O)[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@H]2C1=O	REAL300020300348	1	45	-1.0	-47.33	347.40	2.57	-44.76
FC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020300349	0	51	-1.0	-41.39	392.49	7.93	-33.46
FC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020300349	1	51	-1.0	-41.38	392.54	7.96	-33.42
CC(=O)N1CCOC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC21	REAL300020300350	0	50	-1.0	-56.06	370.53	2.15	-53.91
CC(=O)N1CCOC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC21	REAL300020300350	1	50	-1.0	-56.07	370.59	2.15	-53.92
C(CC1=NN=C(N2CCC3CSCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300351	0	49	-1.0	-42.92	368.70	5.84	-37.08
C(CC1=NN=C(N2CCC3CSCC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300351	1	49	-1.0	-42.92	368.76	5.85	-37.07
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CSCC3C2)N1C1CCOC1	REAL300020300352	0	46	-1.0	-46.10	354.95	6.49	-39.61
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CSCC3C2)N1C1CCOC1	REAL300020300352	1	46	-1.0	-46.09	355.01	6.50	-39.59
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300353	0	47	-1.0	-45.94	377.31	7.68	-38.26
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300353	1	47	-1.0	-45.95	377.36	7.69	-38.26
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300354	0	54	-1.0	-43.17	411.22	7.84	-35.33
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300354	1	54	-1.0	-43.13	411.26	7.85	-35.28
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300355	0	51	-1.0	-47.70	380.12	6.32	-41.38
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300355	1	51	-1.0	-47.73	380.06	6.29	-41.44
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC21	REAL300020300356	0	54	0.0	-69.07	388.73	7.12	-61.95
C[N@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC21	REAL300020300356	1	54	0.0	-68.83	393.27	7.40	-61.43
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC21	REAL300020300356	1	54	0.0	-69.08	388.78	7.13	-61.95
C[N@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC21	REAL300020300356	1	54	0.0	-68.81	393.33	7.41	-61.40
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC21	REAL300020300357	0	51	0.0	-73.02	359.35	4.88	-68.14
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC21	REAL300020300357	1	51	0.0	-67.95	372.92	6.70	-61.25
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC21	REAL300020300357	1	51	0.0	-73.03	359.40	4.89	-68.14
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC21	REAL300020300357	1	51	0.0	-67.93	372.97	6.73	-61.20
FC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=C1	REAL300020300358	0	50	-1.0	-42.61	390.68	6.61	-36.00
FC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=C1	REAL300020300358	1	50	-1.0	-42.62	390.75	6.64	-35.98
N#CCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300359	0	50	-1.0	-49.13	387.70	4.02	-45.11
N#CCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300359	1	50	-1.0	-49.08	387.76	4.03	-45.05
N#CCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300360	0	47	-1.0	-50.12	361.52	3.00	-47.12
N#CCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300360	1	47	-1.0	-50.14	361.56	3.01	-47.13
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCN1C1=CC=CC=C1	REAL300020300361	0	49	-1.0	-46.91	388.53	6.29	-40.62
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCN1C1=CC=CC=C1	REAL300020300361	1	49	-1.0	-46.90	388.58	6.30	-40.60
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC[N@@H+]1C	REAL300020300362	0	56	0.0	-66.86	401.15	7.63	-59.23
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC[N@H+]1C	REAL300020300362	1	56	0.0	-71.64	397.15	7.69	-63.95
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC[N@@H+]1C	REAL300020300362	1	56	0.0	-66.88	401.21	7.65	-59.23
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC[N@H+]1C	REAL300020300362	1	56	0.0	-71.63	397.16	7.70	-63.93
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC[N@@H+]1C	REAL300020300363	0	53	0.0	-62.51	379.62	6.82	-55.69
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC[N@H+]1C	REAL300020300363	1	53	0.0	-71.00	374.23	6.24	-64.76
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[N@@H+]1C	REAL300020300363	1	53	0.0	-62.56	379.68	6.85	-55.71
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[N@H+]1C	REAL300020300363	1	53	0.0	-71.01	374.28	6.25	-64.76
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(OC3CCC3)CC2)N1C1CCOC1	REAL300020300364	0	55	-1.0	-45.02	399.44	6.34	-38.68
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(OC3CCC3)CC2)N1C1CCOC1	REAL300020300364	1	55	-1.0	-45.03	399.50	6.34	-38.69
FC1(C2=CC=CC=C2)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300365	0	51	-1.0	-47.01	392.47	8.21	-38.80
FC1(C2=CC=CC=C2)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300365	1	51	-1.0	-47.00	392.51	8.23	-38.77
CC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300366	0	45	-1.0	-45.63	354.88	4.49	-41.14
CC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300366	1	45	-1.0	-45.63	354.93	4.51	-41.12
FC(F)COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300367	0	45	-1.0	-46.37	370.54	4.03	-42.34
FC(F)COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300367	1	45	-1.0	-46.39	370.59	4.04	-42.35
FC(F)COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300368	0	42	-1.0	-50.55	348.91	3.40	-47.15
FC(F)COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300368	1	42	-1.0	-50.58	348.96	3.41	-47.17
CCOC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300369	0	51	-1.0	-52.43	394.11	5.53	-46.90
CCOC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300369	1	51	-1.0	-52.46	394.15	5.55	-46.91
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300370	0	51	-1.0	-46.82	405.88	7.81	-39.01
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300370	1	51	-1.0	-46.77	405.93	7.84	-38.93
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300371	0	48	-1.0	-50.41	389.53	7.68	-42.73
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300371	1	48	-1.0	-50.44	389.58	7.70	-42.74
FCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020300372	0	44	-1.0	-43.05	364.46	7.25	-35.80
FCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020300372	1	44	-1.0	-43.03	364.40	7.24	-35.79
FCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020300373	0	41	-1.0	-44.93	340.34	6.41	-38.52
FCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020300373	1	41	-1.0	-44.91	340.29	6.38	-38.53
CC1CC(CO)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300374	0	51	-1.0	-40.71	373.11	3.78	-36.93
CC1CC(CO)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300374	1	51	-1.0	-40.72	373.17	3.79	-36.93
CC1CC(CO)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300375	0	48	-1.0	-45.65	349.19	2.10	-43.55
CC1CC(CO)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300375	1	48	-1.0	-45.71	349.27	2.10	-43.61
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300376	0	49	-1.0	-47.20	380.12	5.53	-41.67
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300376	1	49	-1.0	-47.17	380.17	5.55	-41.62
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300377	0	46	-1.0	-52.38	356.55	5.06	-47.32
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300377	1	46	-1.0	-52.39	356.51	5.04	-47.35
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300378	0	48	-1.0	-49.16	367.72	9.48	-39.68
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300378	1	48	-1.0	-49.19	367.78	9.50	-39.69
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300379	0	45	-1.0	-47.25	339.49	8.74	-38.51
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300379	1	45	-1.0	-47.22	339.44	8.73	-38.49
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020300380	0	45	-1.0	-41.11	349.79	5.37	-35.74
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020300380	1	45	-1.0	-41.16	349.85	5.38	-35.78
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020300381	0	42	-1.0	-39.52	324.57	4.90	-34.62
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020300381	1	42	-1.0	-39.53	324.63	4.90	-34.63
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCS1	REAL300020300382	0	49	-1.0	-39.91	392.13	8.79	-31.12
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCS1	REAL300020300382	1	49	-1.0	-39.86	392.16	8.78	-31.08
C(CC1=NN=C(N2CC3(C2)OCC2CC23)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300383	0	47	-1.0	-39.24	365.47	4.81	-34.43
C(CC1=NN=C(N2CC3(C2)OCC2CC23)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300383	1	47	-1.0	-39.25	365.52	4.82	-34.43
C(C1=N[N-]N=N1)C1=NN=C(N2CC3(C2)OCC2CC23)N1C1CCOC1	REAL300020300384	0	44	-1.0	-42.85	347.37	3.42	-39.43
C(C1=NN=N[N-]1)C1=NN=C(N2CC3(C2)OCC2CC23)N1C1CCOC1	REAL300020300384	1	44	-1.0	-42.78	347.45	3.44	-39.34
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2=CC=CN=C21	REAL300020300385	0	52	-1.0	-44.03	390.98	5.23	-38.80
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=CN=C21	REAL300020300385	1	52	-1.0	-43.98	391.03	5.25	-38.73
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=C[NH+]=C21	REAL300020300385	1	53	0.0	-64.53	384.26	4.50	-60.03
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2=CC=CN=C21	REAL300020300386	0	49	-1.0	-48.28	364.64	5.07	-43.21
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=CN=C21	REAL300020300386	1	49	-1.0	-48.26	364.70	5.08	-43.18
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=C[NH+]=C21	REAL300020300386	1	50	0.0	-66.12	358.02	4.31	-61.81
COCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCOCC1	REAL300020300387	0	55	-1.0	-40.36	391.30	3.52	-36.84
COCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCOCC1	REAL300020300387	1	55	-1.0	-40.36	391.36	3.53	-36.83
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCOCC1	REAL300020300388	0	52	-1.0	-49.04	377.74	2.45	-46.59
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCOCC1	REAL300020300388	1	52	-1.0	-49.01	377.80	2.45	-46.56
C1=CC2CC1CN2C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300389	0	43	-1.0	-41.00	334.09	5.90	-35.10
C1=CC2CC1CN2C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300389	1	43	-1.0	-41.03	334.14	5.91	-35.12
C1=CC2CC1CN2C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300390	0	40	-1.0	-44.19	312.17	5.05	-39.14
C1=CC2CC1CN2C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300390	1	40	-1.0	-44.21	312.11	5.02	-39.19
C1=CC2CC1CN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300391	0	47	-1.0	-42.31	363.91	8.41	-33.90
C1=CC2CC1CN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300391	1	47	-1.0	-42.28	363.93	8.41	-33.87
C(CC1=NN=C(N2CCC3(CCCCO3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300392	0	55	-1.0	-41.01	403.07	7.21	-33.80
C(CC1=NN=C(N2CCC3(CCCCO3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300392	1	55	-1.0	-41.01	403.12	7.23	-33.78
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCCO3)CC2)N1C1CCOC1	REAL300020300393	0	52	-1.0	-42.72	373.28	5.23	-37.49
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCCCO3)CC2)N1C1CCOC1	REAL300020300393	1	52	-1.0	-42.75	373.34	5.24	-37.51
C1=CC=C2C(=C1)[C@H]1CC[C@@H]2N(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300394	0	52	-1.0	-46.09	382.14	8.54	-37.55
C1=CC=C2C(=C1)[C@H]1CC[C@@H]2N(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300394	1	52	-1.0	-46.09	382.20	8.56	-37.53
C1=CC=C2C(=C1)[C@H]1CC[C@@H]2N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300395	0	49	-1.0	-46.62	362.38	7.06	-39.56
C1=CC=C2C(=C1)[C@H]1CC[C@@H]2N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300395	1	49	-1.0	-45.10	364.17	7.69	-37.41
C(CC1=NN=C(N2CCC3(CC2)COCCO3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300396	0	53	-1.0	-46.03	391.10	4.29	-41.74
C(CC1=NN=C(N2CCC3(CC2)COCCO3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300396	1	53	-1.0	-45.99	391.16	4.31	-41.68
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CC2)COCCO3)N1C1CCOC1	REAL300020300397	0	50	-1.0	-46.82	365.64	3.42	-43.40
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CC2)COCCO3)N1C1CCOC1	REAL300020300397	1	50	-1.0	-46.84	365.69	3.43	-43.41
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300398	0	49	-1.0	-41.35	358.75	7.98	-33.37
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300398	1	49	-1.0	-41.35	358.81	7.99	-33.36
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300399	0	46	-1.0	-45.84	338.67	6.32	-39.52
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300399	1	46	-1.0	-45.87	338.73	6.31	-39.56
CN(CC1=CC=NS1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300400	0	43	-1.0	-41.59	355.86	5.81	-35.78
CN(CC1=CC=NS1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300400	1	43	-1.0	-41.59	355.92	5.82	-35.77
CN(CC1=CC=NS1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300401	0	40	-1.0	-45.50	331.73	4.34	-41.16
CN(CC1=CC=NS1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300401	1	40	-1.0	-45.55	331.78	4.36	-41.19
FCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300402	0	44	-1.0	-45.70	335.35	5.76	-39.94
FCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300402	1	44	-1.0	-45.65	335.41	5.79	-39.86
FCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300403	0	41	-1.0	-47.28	312.96	4.29	-42.99
FCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300403	1	41	-1.0	-47.23	313.00	4.31	-42.92
FCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020300404	0	48	-1.0	-44.64	375.57	8.11	-36.53
FCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020300404	1	48	-1.0	-44.61	375.61	8.11	-36.50
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300405	0	45	-1.0	-48.48	346.09	3.66	-44.82
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300405	1	45	-1.0	-48.48	346.15	3.67	-44.81
FCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300406	0	47	-1.0	-42.66	364.41	7.15	-35.51
FCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300406	1	47	-1.0	-42.66	364.46	7.18	-35.48
FCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300407	0	44	-1.0	-41.78	340.46	5.26	-36.52
FCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300407	1	44	-1.0	-41.75	340.52	5.28	-36.47
FCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020300408	0	51	-1.0	-41.05	391.28	8.70	-32.35
FCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020300408	1	51	-1.0	-41.14	391.30	8.70	-32.44
FC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300409	0	44	-1.0	-43.89	338.28	5.29	-38.60
FC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300409	1	44	-1.0	-43.82	338.34	5.31	-38.51
FC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300410	0	41	-1.0	-44.66	313.14	4.39	-40.27
FC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300410	1	41	-1.0	-44.63	313.21	4.39	-40.24
FC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CC1	REAL300020300411	0	48	-1.0	-41.36	381.22	7.81	-33.55
FC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CC1	REAL300020300411	1	48	-1.0	-41.35	381.21	7.80	-33.55
CC(=O)N1C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@H]2C1	REAL300020300412	0	52	-1.0	-49.60	391.91	4.55	-45.05
CC(=O)N1C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@H]2C1	REAL300020300412	1	52	-1.0	-49.60	391.96	4.56	-45.04
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@H]2C1	REAL300020300413	0	49	-1.0	-58.56	366.22	4.47	-54.09
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@H]2C1	REAL300020300413	1	49	-1.0	-58.60	366.29	4.48	-54.12
C1=CSC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)=N1	REAL300020300414	0	47	-1.0	-42.18	370.43	4.84	-37.34
C1=CSC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)=N1	REAL300020300414	1	47	-1.0	-42.17	370.49	4.86	-37.31
C1=CSC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)=N1	REAL300020300415	0	44	-1.0	-44.90	345.12	3.69	-41.21
C1=CSC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)=N1	REAL300020300415	1	44	-1.0	-44.87	345.19	3.72	-41.15
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1C1=CC=CC=C1	REAL300020300416	0	54	-1.0	-46.38	387.05	7.37	-39.01
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1C1=CC=CC=C1	REAL300020300416	1	54	-1.0	-46.38	387.10	7.38	-39.00
FC1=CC2=C(C=C1F)CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020300417	0	45	-1.0	-45.00	361.68	7.05	-37.95
FC1=CC2=C(C=C1F)CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020300417	1	45	-1.0	-45.01	361.72	7.06	-37.95
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300418	0	54	-1.0	-41.40	400.66	8.56	-32.84
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300418	1	54	-1.0	-41.43	400.72	8.57	-32.86
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300419	0	51	-1.0	-48.45	379.05	8.31	-40.14
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300419	1	51	-1.0	-48.57	379.27	8.28	-40.29
COC1COCCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300420	0	52	-1.0	-46.12	388.61	3.26	-42.86
COC1COCCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300420	1	52	-1.0	-46.09	388.66	3.27	-42.82
COC1COCCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300421	0	49	-1.0	-40.49	365.58	3.01	-37.48
COC1COCCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300421	1	49	-1.0	-40.49	365.64	3.03	-37.46
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300422	0	53	0.0	-68.16	377.83	5.93	-62.23
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300422	1	53	0.0	-69.19	378.84	7.00	-62.19
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300422	1	52	-1.0	-41.71	376.20	3.76	-37.95
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300422	1	52	-1.0	-41.69	376.25	3.77	-37.92
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300423	0	50	0.0	-68.50	345.53	4.79	-63.71
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300423	1	50	0.0	-66.56	349.99	5.32	-61.24
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300423	1	50	0.0	-68.50	345.57	4.79	-63.71
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300423	1	50	0.0	-66.60	350.06	5.32	-61.28
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300423	1	49	-1.0	-46.52	355.53	3.67	-42.85
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300424	0	51	-1.0	-45.72	383.75	6.70	-39.02
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300424	1	51	-1.0	-45.68	383.85	6.72	-38.96
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300425	0	46	-1.0	-57.63	371.59	3.65	-53.98
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300425	1	46	-1.0	-57.67	371.64	3.66	-54.01
CC1C2=C(C=CS2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300426	0	48	-1.0	-41.86	382.78	6.41	-35.45
CC1C2=C(C=CS2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300426	1	48	-1.0	-41.92	382.84	6.42	-35.50
CC1C2=C(C=CS2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300427	0	45	-1.0	-42.66	345.29	5.04	-37.62
CC1C2=C(C=CS2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300427	1	45	-1.0	-42.65	345.23	5.03	-37.62
COC(=O)CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300428	0	53	-1.0	-49.51	399.02	5.94	-43.57
COC(=O)CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300428	1	53	-1.0	-49.54	399.08	5.95	-43.59
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300429	0	52	-1.0	-43.67	391.78	2.15	-41.52
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300429	1	52	-1.0	-43.66	391.84	2.17	-41.49
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300430	0	49	-1.0	-45.90	370.19	2.29	-43.61
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300430	1	49	-1.0	-45.89	370.24	2.31	-43.58
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300431	0	53	-1.0	-45.75	397.95	5.76	-39.99
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300431	1	53	-1.0	-45.76	398.00	5.77	-39.99
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCCN1	REAL300020300432	0	45	-1.0	-43.55	344.65	2.91	-40.64
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCCN1	REAL300020300432	1	45	-1.0	-43.54	344.69	2.92	-40.62
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCCN1	REAL300020300433	0	42	-1.0	-50.17	315.80	1.64	-48.53
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCCN1	REAL300020300433	1	42	-1.0	-50.17	315.74	1.64	-48.53
O=C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCCN1	REAL300020300434	0	49	-1.0	-45.81	377.29	3.76	-42.05
O=C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCCN1	REAL300020300434	1	49	-1.0	-45.77	377.30	3.76	-42.01
C(CC1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300435	0	46	-1.0	-42.53	342.78	3.19	-39.34
C(CC1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300435	1	46	-1.0	-42.55	342.84	3.20	-39.35
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1C1CCOC1	REAL300020300436	0	43	-1.0	-41.94	316.49	2.58	-39.36
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3COC[C@@H]3C2)N1C1CCOC1	REAL300020300436	1	43	-1.0	-41.95	316.54	2.58	-39.37
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CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2=CC=CC=C21	REAL300020300446	0	51	-1.0	-41.73	382.02	7.07	-34.66
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=CC=C21	REAL300020300446	1	51	-1.0	-41.73	382.08	7.09	-34.64
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2=CC=CC=C21	REAL300020300447	0	48	-1.0	-47.32	365.46	7.59	-39.73
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2=CC=CC=C21	REAL300020300447	1	48	-1.0	-47.34	365.41	7.57	-39.77
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CC1=CSC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)=N1	REAL300020300449	0	47	-1.0	-47.22	370.22	4.82	-42.40
CC1=CSC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)=N1	REAL300020300449	1	47	-1.0	-47.20	370.26	4.83	-42.37
CS(=N)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300450	0	50	-1.0	-56.05	392.03	0.74	-55.31
CS(=N)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300450	1	50	-1.0	-56.03	392.09	0.76	-55.27
CS(=N)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300451	0	47	-1.0	-54.35	367.99	0.82	-53.53
CS(=N)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300451	1	47	-1.0	-54.36	368.03	0.82	-53.54
FC(F)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300452	0	45	-1.0	-45.36	353.34	3.52	-41.84
FC(F)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300452	1	45	-1.0	-45.36	353.40	3.54	-41.82
FC(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300453	0	42	-1.0	-45.66	328.38	2.45	-43.21
FC(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300453	1	42	-1.0	-45.68	328.43	2.45	-43.23
O=S1(=O)CC2(C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300454	0	48	-1.0	-49.10	365.23	1.00	-48.10
O=S1(=O)CC2(C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300454	1	48	-1.0	-49.13	365.30	1.02	-48.11
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300455	0	45	-1.0	-56.07	350.43	1.69	-54.38
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300455	1	45	-1.0	-56.04	350.49	1.70	-54.34
CC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300456	0	49	-1.0	-47.53	375.76	5.68	-41.85
CC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300456	1	49	-1.0	-47.55	375.82	5.70	-41.85
CC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300457	0	46	-1.0	-50.06	350.68	4.78	-45.28
CC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300457	1	46	-1.0	-50.07	350.75	4.79	-45.28
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300458	0	47	-1.0	-49.01	377.47	7.70	-41.31
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300458	1	47	-1.0	-49.01	377.52	7.70	-41.31
CC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300459	0	49	-1.0	-48.34	377.35	5.54	-42.80
CC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300459	1	49	-1.0	-48.32	377.40	5.56	-42.76
CC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300460	0	46	-1.0	-52.80	356.41	5.23	-47.57
CC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300460	1	46	-1.0	-52.81	356.47	5.24	-47.57
CC(C)(O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300461	0	54	-1.0	-43.57	393.55	3.43	-40.14
CC(C)(O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300461	1	54	-1.0	-43.54	393.60	3.44	-40.10
CC(C)(O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300462	0	51	-1.0	-43.51	375.11	3.90	-39.61
CC(C)(O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300462	1	51	-1.0	-43.58	375.17	3.94	-39.64
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C(C)(C)C	REAL300020300463	0	55	-1.0	-40.97	392.85	6.69	-34.28
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C(C)(C)C	REAL300020300463	1	55	-1.0	-40.96	392.91	6.70	-34.26
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C(C)(C)C	REAL300020300464	0	52	-1.0	-45.31	368.03	8.38	-36.93
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C(C)(C)C	REAL300020300464	1	52	-1.0	-45.32	368.08	8.39	-36.93
OCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300465	0	49	-1.0	-44.26	379.47	2.17	-42.09
OCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300465	1	49	-1.0	-44.27	379.53	2.19	-42.08
OCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300466	0	46	-1.0	-47.64	355.02	0.34	-47.30
OCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300466	1	46	-1.0	-47.60	355.07	0.33	-47.27
OCC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300467	0	52	-1.0	-45.85	384.30	1.13	-44.72
OCC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300467	1	52	-1.0	-45.85	384.37	1.15	-44.70
OCC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300468	0	49	-1.0	-49.63	364.29	0.81	-48.82
OCC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300468	1	49	-1.0	-49.63	364.39	0.83	-48.80
C1=CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020300469	0	46	-1.0	-43.83	348.37	5.77	-38.06
C1=CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020300469	1	46	-1.0	-43.84	348.43	5.78	-38.06
C1=CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020300470	0	43	-1.0	-51.18	326.94	4.79	-46.39
C1=CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020300470	1	43	-1.0	-51.18	326.89	4.77	-46.41
CN1C=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)=N1	REAL300020300471	0	54	-1.0	-49.00	416.33	6.50	-42.50
CN1C=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)=N1	REAL300020300471	1	54	-1.0	-48.96	416.38	6.52	-42.44
CN1C=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=N1	REAL300020300472	0	51	-1.0	-49.58	388.08	5.46	-44.12
CN1C=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=N1	REAL300020300472	1	51	-1.0	-49.56	388.15	5.47	-44.09
N#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300473	0	45	-1.0	-46.65	351.88	6.32	-40.33
N#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300473	1	45	-1.0	-46.67	351.94	6.33	-40.34
N#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300474	0	42	-1.0	-47.07	333.88	4.81	-42.26
N#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300474	1	42	-1.0	-47.04	333.94	4.83	-42.21
N#CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020300475	0	49	-1.0	-45.81	384.70	8.26	-37.55
N#CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020300475	1	49	-1.0	-45.77	384.71	8.26	-37.51
C(CC1=NN=C(N2CCC(C3CCCO3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300476	0	52	-1.0	-43.17	379.06	4.97	-38.20
C(CC1=NN=C(N2CCC(C3CCCO3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300476	1	52	-1.0	-43.19	379.12	4.98	-38.21
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3CCCO3)C2)N1C1CCOC1	REAL300020300477	0	49	-1.0	-50.48	359.44	4.93	-45.55
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3CCCO3)C2)N1C1CCOC1	REAL300020300477	1	49	-1.0	-50.50	359.49	4.93	-45.57
FC1(F)C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2C1(F)F	REAL300020300478	0	42	-1.0	-49.19	336.50	4.85	-44.34
FC1(F)C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2C1(F)F	REAL300020300478	1	42	-1.0	-49.20	336.55	4.85	-44.35
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1C1=CC=CC=C1	REAL300020300479	0	54	-1.0	-41.86	402.48	8.14	-33.72
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1C1=CC=CC=C1	REAL300020300479	1	54	-1.0	-41.84	402.54	8.15	-33.69
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1C1=CC=CC=C1	REAL300020300480	0	51	-1.0	-49.13	380.78	7.48	-41.65
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1C1=CC=CC=C1	REAL300020300480	1	51	-1.0	-49.15	380.73	7.46	-41.69
COC(=O)N[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300481	0	49	-1.0	-44.85	374.41	1.22	-43.63
COC(=O)N[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300481	1	49	-1.0	-44.80	374.49	1.24	-43.56
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300482	0	46	-1.0	-46.16	356.05	0.74	-45.42
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300482	1	46	-1.0	-46.17	356.11	0.75	-45.42
C(CC1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300483	0	46	-1.0	-46.74	345.79	3.46	-43.28
C(CC1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300483	1	46	-1.0	-46.74	345.85	3.48	-43.26
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1C1CCOC1	REAL300020300484	0	43	-1.0	-47.82	319.18	3.36	-44.46
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3CCO[C@H]3C2)N1C1CCOC1	REAL300020300484	1	43	-1.0	-47.84	319.23	3.37	-44.47
C1=CC(C2=NN=C(N3C[C@H]4CCO[C@H]4C3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020300485	0	50	-1.0	-47.86	378.62	6.77	-41.09
C1=CC(C2=NN=C(N3C[C@H]4CCO[C@H]4C3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020300485	1	50	-1.0	-47.84	378.67	6.77	-41.07
FC[C@]12CC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300486	0	48	-1.0	-43.10	357.49	5.89	-37.21
FC[C@]12CC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300486	1	48	-1.0	-43.09	357.55	5.90	-37.19
FC[C@]12CC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300487	0	45	-1.0	-46.89	342.09	5.99	-40.90
FC[C@]12CC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300487	1	45	-1.0	-48.51	339.43	5.21	-43.30
C(CC1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300488	0	46	-1.0	-44.67	355.08	5.60	-39.07
C(CC1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300488	1	46	-1.0	-44.71	355.14	5.62	-39.09
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1C1CCOC1	REAL300020300489	0	43	-1.0	-41.64	326.74	4.84	-36.80
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CSC[C@@H]3C2)N1C1CCOC1	REAL300020300489	1	43	-1.0	-41.61	326.80	4.85	-36.76
CC1=NC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)=NO1	REAL300020300490	0	49	-1.0	-47.95	370.46	3.04	-44.91
CC1=NC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)=NO1	REAL300020300490	1	49	-1.0	-47.97	370.52	3.05	-44.92
CC1=NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)=NO1	REAL300020300491	0	46	-1.0	-46.85	352.12	1.84	-45.01
CC1=NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)=NO1	REAL300020300491	1	46	-1.0	-46.84	352.18	1.86	-44.98
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]21	REAL300020300492	0	51	-1.0	-49.45	374.67	6.37	-43.08
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]21	REAL300020300492	1	51	-1.0	-49.41	374.81	6.43	-42.98
FC(F)(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCS1	REAL300020300493	0	42	-1.0	-44.46	343.44	4.70	-39.76
FC(F)(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCS1	REAL300020300493	1	42	-1.0	-44.51	343.49	4.71	-39.80
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300494	0	50	-1.0	-50.34	394.71	5.96	-44.38
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300494	1	50	-1.0	-50.33	394.78	5.98	-44.35
FC(F)CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCC1	REAL300020300495	0	47	-1.0	-40.92	349.25	5.86	-35.06
FC(F)CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCC1	REAL300020300495	1	47	-1.0	-40.90	349.32	5.86	-35.04
FC(F)CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCC1	REAL300020300496	0	44	-1.0	-48.43	335.13	5.89	-42.54
FC(F)CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCC1	REAL300020300496	1	44	-1.0	-48.41	335.18	5.89	-42.52
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300497	0	50	-1.0	-47.25	389.23	4.05	-43.20
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300497	1	50	-1.0	-47.23	389.28	4.06	-43.17
C1=CC=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020300498	0	52	-1.0	-45.39	393.00	6.73	-38.66
C1=CC=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020300498	1	52	-1.0	-45.44	393.00	6.74	-38.70
C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCCN2N=N1	REAL300020300499	0	47	-1.0	-43.53	363.16	4.73	-38.80
C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCCN2N=N1	REAL300020300499	1	47	-1.0	-43.53	363.21	4.75	-38.78
C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCCN2N=N1	REAL300020300500	0	44	-1.0	-51.76	334.05	3.59	-48.17
C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCCN2N=N1	REAL300020300500	1	44	-1.0	-51.79	333.99	3.58	-48.21
FC(F)(F)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300501	0	48	-1.0	-44.51	362.38	6.97	-37.54
FC(F)(F)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300501	1	48	-1.0	-44.55	362.41	6.98	-37.57
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1C	REAL300020300502	0	53	-1.0	-51.35	401.86	5.53	-45.82
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1C	REAL300020300502	1	53	-1.0	-51.33	401.92	5.54	-45.79
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1C	REAL300020300503	0	50	-1.0	-51.38	379.17	4.98	-46.40
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1C	REAL300020300503	1	50	-1.0	-51.34	379.23	4.98	-46.36
C1=CC=C(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)N=C1	REAL300020300504	0	52	-1.0	-41.98	391.44	5.37	-36.61
C1=CC=C(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)N=C1	REAL300020300504	1	52	-1.0	-41.96	391.49	5.38	-36.58
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300505	0	57	0.0	-67.25	398.52	7.68	-59.57
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300505	1	57	0.0	-67.28	398.59	7.71	-59.57
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300506	0	53	-1.0	-39.11	375.94	6.67	-32.44
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300506	1	53	-1.0	-39.12	375.97	6.69	-32.43
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300507	0	50	-1.0	-49.00	358.08	6.10	-42.90
C[C@@H]1C[C@H](C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300507	1	50	-1.0	-48.97	358.12	6.11	-42.86
CC(C)OC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300508	0	53	-1.0	-47.90	403.59	6.56	-41.34
CC(C)OC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300508	1	53	-1.0	-47.88	403.65	6.57	-41.31
CN1C=CC(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)=N1	REAL300020300509	0	54	-1.0	-47.36	413.05	7.21	-40.15
CN1C=CC(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)=N1	REAL300020300509	1	54	-1.0	-47.40	413.10	7.23	-40.17
CN1C=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)=N1	REAL300020300510	0	51	-1.0	-46.83	397.16	6.82	-40.01
CN1C=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)=N1	REAL300020300510	1	51	-1.0	-46.88	397.22	6.84	-40.04
OCCOCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300511	0	53	-1.0	-48.39	401.34	-0.96	-49.35
OCCOCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300511	1	53	-1.0	-48.38	401.40	-0.95	-49.33
C=CCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300512	0	52	-1.0	-45.27	391.71	4.03	-41.24
C=CCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300512	1	52	-1.0	-45.25	391.77	4.05	-41.20
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300513	0	49	-1.0	-46.73	366.11	3.04	-43.69
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300513	1	49	-1.0	-46.76	366.16	3.05	-43.71
CN(CCCF)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300514	0	43	-1.0	-41.18	332.34	4.56	-36.62
CN(CCCF)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300514	1	43	-1.0	-41.19	332.44	4.57	-36.62
CN(CCCF)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300515	0	40	-1.0	-45.37	315.39	4.41	-40.96
CN(CCCF)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300515	1	40	-1.0	-45.38	315.34	4.41	-40.97
CN(CCCF)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300516	0	47	-1.0	-41.93	366.28	7.87	-34.06
CN(CCCF)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300516	1	47	-1.0	-41.89	365.99	7.80	-34.09
FC1=CC=CC(CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CCC2)=C1	REAL300020300517	0	51	-1.0	-57.62	392.87	7.53	-50.09
FC1=CC=CC(CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CCC2)=C1	REAL300020300517	1	51	-1.0	-57.63	392.93	7.54	-50.09
C1=NN(C2CCCC2)C=C1NC1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300518	0	51	-1.0	-44.22	399.43	7.93	-36.29
C1=NN(C2CCCC2)C=C1NC1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300518	1	51	-1.0	-44.18	399.37	7.91	-36.27
C1=NN(C2CCCC2)C=C1NC1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300519	0	48	-1.0	-47.29	375.34	7.10	-40.19
C1=NN(C2CCCC2)C=C1NC1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300519	1	48	-1.0	-47.28	375.28	7.07	-40.21
FC(F)(F)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300520	0	45	-1.0	-43.84	355.32	3.80	-40.04
FC(F)(F)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300520	1	45	-1.0	-43.81	355.39	3.80	-40.01
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300521	0	54	-1.0	-44.59	374.23	6.48	-38.11
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300521	1	54	-1.0	-44.57	374.30	6.48	-38.09
CC(C)C1=NN=C2C(C)N(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN12	REAL300020300522	0	53	-1.0	-49.58	396.83	6.23	-43.35
CC(C)C1=NN=C2C(C)N(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN12	REAL300020300522	1	53	-1.0	-49.61	396.89	6.25	-43.36
C1=CC=C(CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2CC2)C=C1	REAL300020300523	0	54	-1.0	-45.42	420.97	9.14	-36.28
C1=CC=C(CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2CC2)C=C1	REAL300020300523	1	54	-1.0	-45.37	421.03	9.15	-36.22
C1=CC=C(CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CC2)C=C1	REAL300020300524	0	51	-1.0	-43.34	404.39	9.34	-34.00
C1=CC=C(CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CC2)C=C1	REAL300020300524	1	51	-1.0	-44.74	398.63	8.26	-36.48
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(C3CCOCC3)C2)N1C1CCOC1	REAL300020300525	0	55	-1.0	-44.00	402.75	5.73	-38.27
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(C3CCOCC3)C2)N1C1CCOC1	REAL300020300525	1	55	-1.0	-43.98	402.81	5.74	-38.24
O=S1(=O)NCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN21	REAL300020300526	0	46	-1.0	-52.57	360.21	-1.57	-54.14
O=S1(=O)NCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN21	REAL300020300526	1	46	-1.0	-52.61	360.27	-1.57	-54.18
FC(F)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC12CC2	REAL300020300527	0	48	-1.0	-41.52	368.14	6.08	-35.44
FC(F)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC12CC2	REAL300020300527	1	48	-1.0	-41.50	368.20	6.09	-35.41
FC(F)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC12CC2	REAL300020300528	0	45	-1.0	-44.24	345.53	6.11	-38.13
FC(F)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC12CC2	REAL300020300528	1	45	-1.0	-44.24	345.58	6.12	-38.12
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300529	0	47	-1.0	-48.59	371.74	3.52	-45.07
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300529	1	47	-1.0	-48.66	371.79	3.53	-45.13
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300530	0	44	-1.0	-49.28	353.14	3.34	-45.94
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300530	1	44	-1.0	-49.22	353.09	3.32	-45.90
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)O1	REAL300020300531	0	47	-1.0	-46.97	384.45	5.45	-41.52
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)O1	REAL300020300531	1	47	-1.0	-46.93	384.51	5.47	-41.46
C1=NN(C2CCC2)C=C1NC1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300532	0	48	-1.0	-44.61	381.94	7.26	-37.35
C1=NN(C2CCC2)C=C1NC1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300532	1	48	-1.0	-44.55	381.88	7.24	-37.31
C1=NN(C2CCC2)C=C1NC1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300533	0	45	-1.0	-47.13	357.73	6.41	-40.72
C1=NN(C2CCC2)C=C1NC1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300533	1	45	-1.0	-47.12	357.67	6.39	-40.73
COC1(C(F)(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300534	0	45	-1.0	-42.98	362.32	2.92	-40.06
COC1(C(F)(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300534	1	45	-1.0	-42.99	362.38	2.94	-40.05
COC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300535	0	42	-1.0	-39.87	346.79	2.38	-37.49
COC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300535	1	42	-1.0	-39.84	346.85	2.40	-37.44
C1=CN=CC([C@]23CC[C@H]2CCN3C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020300536	0	51	-1.0	-53.66	374.53	5.99	-47.67
C1=CN=CC([C@]23CC[C@H]2CCN3C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020300536	1	51	-1.0	-53.67	374.42	5.97	-47.70
C(CC1=NN=C(N2CCC3CCC(C3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300537	0	51	-1.0	-44.14	346.40	7.87	-36.27
C(CC1=NN=C(N2CCC3CCC(C3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300537	1	51	-1.0	-44.08	346.46	7.88	-36.20
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCC(C3)C2)N1C1CCOC1	REAL300020300538	0	48	-1.0	-44.82	339.87	7.11	-37.71
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCC(C3)C2)N1C1CCOC1	REAL300020300538	1	48	-1.0	-44.84	339.93	7.12	-37.72
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300539	0	54	0.0	-70.64	390.18	5.76	-64.88
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300539	1	54	0.0	-76.45	388.44	7.03	-69.42
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300539	1	54	0.0	-70.65	390.24	5.78	-64.87
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300539	1	54	0.0	-76.46	388.50	7.05	-69.41
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300540	0	51	0.0	-68.89	369.98	5.55	-63.34
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300540	1	51	0.0	-67.94	363.49	5.79	-62.15
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300540	1	51	0.0	-68.89	370.04	5.56	-63.33
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@]2(C)C1	REAL300020300540	1	51	0.0	-66.03	360.61	5.91	-60.12
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300541	0	52	-1.0	-47.29	379.16	1.54	-45.75
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300541	1	52	-1.0	-47.33	379.23	1.55	-45.78
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300542	0	49	-1.0	-46.52	366.62	1.69	-44.83
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300542	1	49	-1.0	-46.51	366.65	1.69	-44.82
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300543	0	53	-1.0	-40.84	391.90	7.51	-33.33
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300543	1	53	-1.0	-40.86	391.96	7.51	-33.35
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300544	0	50	-1.0	-44.85	374.57	7.30	-37.55
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300544	1	50	-1.0	-44.86	374.52	7.28	-37.58
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300545	0	50	-1.0	-50.34	394.71	5.96	-44.38
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300545	1	50	-1.0	-50.33	394.78	5.98	-44.35
CN(CC1=CC(C#N)=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300546	0	45	-1.0	-44.43	377.05	6.14	-38.29
CN(CC1=CC(C#N)=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300546	1	45	-1.0	-44.42	377.11	6.16	-38.26
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300547	0	42	-1.0	-46.07	358.02	6.03	-40.04
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300547	1	42	-1.0	-46.11	358.07	6.05	-40.06
CN(CCN1CCNC(=O)C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300548	0	53	-1.0	-49.38	397.17	0.50	-48.88
CN(CCN1CCNC(=O)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300548	1	53	-1.0	-49.39	397.25	0.52	-48.87
CN(CCN1CCNC(=O)C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300549	0	50	-1.0	-53.16	380.12	0.20	-52.96
CN(CCN1CCNC(=O)C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300549	1	50	-1.0	-53.16	380.16	0.21	-52.95
C(CC1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300550	0	45	-1.0	-45.74	332.12	5.91	-39.83
C(CC1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300550	1	45	-1.0	-45.74	332.19	5.91	-39.83
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1C1CCOC1	REAL300020300551	0	42	-1.0	-42.75	308.15	4.65	-38.10
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CC[C@@H]3C2)N1C1CCOC1	REAL300020300551	1	42	-1.0	-42.78	308.11	4.64	-38.14
C1=CC(C2=NN=C(N3C[C@@H]4CC[C@@H]4C3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020300552	0	49	-1.0	-42.82	368.10	7.34	-35.48
C1=CC(C2=NN=C(N3C[C@@H]4CC[C@@H]4C3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020300552	1	49	-1.0	-42.86	368.16	7.32	-35.54
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1CS(N)(=O)=O	REAL300020300553	0	49	-1.0	-56.74	377.52	-0.20	-56.94
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1CS(N)(=O)=O	REAL300020300553	1	49	-1.0	-56.73	377.57	-0.21	-56.94
C[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020300554	0	53	-1.0	-41.34	382.65	6.87	-34.47
C[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020300554	1	53	-1.0	-41.30	382.70	6.88	-34.42
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020300555	0	50	-1.0	-44.48	360.07	6.85	-37.63
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020300555	1	50	-1.0	-44.48	360.10	6.87	-37.61
C[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020300556	0	55	-1.0	-40.07	401.97	7.43	-32.64
C[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020300556	1	55	-1.0	-40.04	402.03	7.44	-32.60
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020300557	0	52	-1.0	-45.95	367.25	6.49	-39.46
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020300557	1	52	-1.0	-45.92	367.30	6.50	-39.42
O=S1(=O)C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@H]2C1	REAL300020300558	0	48	-1.0	-54.05	373.80	2.00	-52.05
O=S1(=O)C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@H]2C1	REAL300020300558	1	48	-1.0	-54.03	373.86	2.03	-52.00
O=S1(=O)C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@H]2C1	REAL300020300559	0	45	-1.0	-48.77	345.83	1.16	-47.61
O=S1(=O)C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@H]2C1	REAL300020300559	1	45	-1.0	-48.77	345.88	1.15	-47.62
C(=CC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1=CC=CC=C1	REAL300020300560	0	52	-1.0	-41.33	395.96	7.62	-33.71
C(=CC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1=CC=CC=C1	REAL300020300560	1	52	-1.0	-41.24	396.03	7.63	-33.61
C(CC1=NN=C(N2CCCC2C2OCCO2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300561	0	50	-1.0	-44.62	376.66	3.09	-41.53
C(CC1=NN=C(N2CCCC2C2OCCO2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300561	1	50	-1.0	-44.65	376.72	3.10	-41.55
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2OCCO2)N1C1CCOC1	REAL300020300562	0	47	-1.0	-45.74	356.59	3.59	-42.15
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2OCCO2)N1C1CCOC1	REAL300020300562	1	47	-1.0	-45.76	356.66	3.62	-42.14
CN1N=NC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300563	0	47	-1.0	-46.64	366.12	3.65	-42.99
CN1N=NC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300563	1	47	-1.0	-46.64	366.18	3.66	-42.98
CN1N=NC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300564	0	44	-1.0	-49.35	345.62	3.34	-46.01
CN1N=NC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300564	1	44	-1.0	-49.38	345.57	3.33	-46.05
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300565	0	50	-1.0	-43.91	380.94	5.64	-38.27
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300565	1	50	-1.0	-43.91	381.00	5.65	-38.26
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300566	0	47	-1.0	-49.07	363.91	5.38	-43.69
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300566	1	47	-1.0	-49.04	364.00	5.37	-43.67
O=C1NCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)O1	REAL300020300567	0	50	-1.0	-56.18	387.02	2.31	-53.87
O=C1NCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)O1	REAL300020300567	1	50	-1.0	-56.13	387.08	2.32	-53.81
O=C1NCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)O1	REAL300020300568	0	47	-1.0	-61.84	362.78	1.88	-59.96
O=C1NCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)O1	REAL300020300568	1	47	-1.0	-61.83	362.88	1.88	-59.95
O=C1NCCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)O1	REAL300020300569	0	50	-1.0	-58.04	381.30	3.60	-54.44
O=C1NCCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)O1	REAL300020300569	1	50	-1.0	-58.07	381.36	3.62	-54.45
O=C1NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)CO1	REAL300020300570	0	50	-1.0	-52.09	385.52	3.44	-48.65
O=C1NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)CO1	REAL300020300570	1	50	-1.0	-52.11	385.57	3.47	-48.64
CCS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300571	0	49	-1.0	-50.15	382.98	1.63	-48.52
CCS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300571	1	49	-1.0	-50.11	383.04	1.63	-48.48
NC(=O)C12CCC(CC1)N2C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300572	0	49	-1.0	-49.12	363.90	1.06	-48.06
NC(=O)C12CCC(CC1)N2C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300572	1	49	-1.0	-49.11	363.97	1.06	-48.05
NC(=O)C12CCC(CC1)N2C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300573	0	46	-1.0	-48.96	347.75	1.35	-47.61
NC(=O)C12CCC(CC1)N2C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300573	1	46	-1.0	-48.96	347.70	1.33	-47.63
NS(=O)(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300574	0	49	-1.0	-50.27	380.01	-0.23	-50.50
NS(=O)(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300574	1	49	-1.0	-50.32	380.07	-0.22	-50.54
NS(=O)(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300575	0	46	-1.0	-55.85	364.40	-0.66	-56.51
NS(=O)(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300575	1	46	-1.0	-55.83	364.43	-0.65	-56.48
CSCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300576	0	51	-1.0	-45.08	395.59	6.96	-38.12
CSCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300576	1	51	-1.0	-45.12	395.64	6.98	-38.14
CSCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300577	0	48	-1.0	-45.12	370.46	6.06	-39.06
CSCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300577	1	48	-1.0	-45.13	370.52	6.06	-39.07
CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300578	0	48	-1.0	-45.60	366.54	4.33	-41.27
CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300578	1	48	-1.0	-45.61	366.56	4.35	-41.26
CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300579	0	45	-1.0	-48.80	341.22	4.08	-44.72
CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300579	1	45	-1.0	-48.80	341.27	4.09	-44.71
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020300580	0	52	-1.0	-42.86	398.30	6.38	-36.48
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020300580	1	52	-1.0	-42.82	398.34	6.37	-36.45
C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCN2N=C1C1CC1	REAL300020300581	0	52	-1.0	-43.09	402.80	6.27	-36.82
C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCN2N=C1C1CC1	REAL300020300581	1	52	-1.0	-43.10	402.85	6.28	-36.82
C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN2N=C1C1CC1	REAL300020300582	0	49	-1.0	-45.32	381.98	5.96	-39.36
C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN2N=C1C1CC1	REAL300020300582	1	49	-1.0	-45.32	382.03	5.98	-39.34
CCN(CCC(=O)NC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300583	0	50	-1.0	-51.73	380.34	1.87	-49.86
CCN(CCC(=O)NC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300583	1	50	-1.0	-51.80	380.44	1.89	-49.91
CCN(CCC(=O)NC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300584	0	47	-1.0	-58.59	358.67	1.88	-56.71
CCN(CCC(=O)NC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300584	1	47	-1.0	-58.63	358.72	1.89	-56.74
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CC(C)[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300606	0	51	-1.0	-39.73	378.51	6.52	-33.21
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300606	1	51	-1.0	-39.68	378.57	6.53	-33.15
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CC(C)[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300607	1	48	-1.0	-43.66	354.28	5.98	-37.68
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CC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020300612	1	52	-1.0	-45.15	405.52	9.04	-36.11
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C1=NN(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)N=C1	REAL300020300620	0	50	-1.0	-45.91	390.66	5.60	-40.31
C1=NN(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)N=C1	REAL300020300620	1	50	-1.0	-45.96	390.62	5.59	-40.37
C1=NN(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)N=C1	REAL300020300621	0	47	-1.0	-44.93	368.36	4.63	-40.30
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CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300638	1	56	0.0	-66.31	392.75	6.46	-59.85
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CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300639	0	53	0.0	-59.71	368.86	6.00	-53.71
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300639	1	53	0.0	-64.95	375.93	6.37	-58.58
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300639	1	53	0.0	-59.67	368.92	6.01	-53.66
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300639	1	53	0.0	-64.93	375.98	6.38	-58.55
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C1=NC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)N1C1CCC1	REAL300020300640	1	52	-1.0	-55.16	388.42	6.93	-48.23
C[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300641	0	45	-1.0	-39.89	338.19	5.27	-34.62
C[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300641	1	45	-1.0	-39.87	338.25	5.29	-34.58
C[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300642	0	42	-1.0	-45.25	314.43	4.25	-41.00
C[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300642	1	42	-1.0	-45.24	314.38	4.25	-40.99
C[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C1CCOC1)C2	REAL300020300643	0	49	-1.0	-46.32	366.52	7.17	-39.15
C[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C1CCOC1)C2	REAL300020300643	1	49	-1.0	-46.23	366.55	7.16	-39.07
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F[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1CC1=CC=CC=C1	REAL300020300644	1	51	-1.0	-43.08	385.44	7.69	-35.39
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C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC3(CCC3)C2)N1C1CCOC1	REAL300020300646	0	51	-1.0	-44.32	357.76	6.77	-37.55
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CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020300648	0	45	-1.0	-45.34	352.24	4.47	-40.87
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C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCOCC1	REAL300020300649	0	53	-1.0	-40.76	399.10	5.38	-35.38
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCOCC1	REAL300020300649	1	53	-1.0	-40.74	399.17	5.38	-35.36
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCOCC1	REAL300020300650	0	50	-1.0	-47.27	374.61	4.74	-42.53
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCOCC1	REAL300020300650	1	50	-1.0	-47.26	374.65	4.75	-42.51
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1	REAL300020300651	0	52	-1.0	-42.29	398.27	7.92	-34.37
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1	REAL300020300651	1	52	-1.0	-42.29	398.32	7.94	-34.35
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCCC1	REAL300020300652	0	49	-1.0	-47.77	367.61	6.46	-41.31
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCCC1	REAL300020300652	1	49	-1.0	-47.71	367.66	6.47	-41.24
CC1=CC=NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=N1	REAL300020300653	0	52	-1.0	-48.41	398.24	5.68	-42.73
CC1=CC=NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=N1	REAL300020300653	1	52	-1.0	-48.38	398.31	5.68	-42.70
ClC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300654	0	45	-1.0	-43.64	368.28	6.81	-36.83
ClC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300654	1	45	-1.0	-43.64	368.34	6.82	-36.82
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ClC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300655	1	42	-1.0	-46.81	344.18	6.30	-40.51
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O=S1(=O)CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]21	REAL300020300656	1	48	-1.0	-57.27	372.76	2.12	-55.15
O=S1(=O)CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]21	REAL300020300657	0	45	-1.0	-54.22	350.25	1.53	-52.69
O=S1(=O)CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]21	REAL300020300657	1	45	-1.0	-54.18	350.31	1.55	-52.63
FC1(F)CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]21	REAL300020300658	0	48	-1.0	-45.07	364.75	6.11	-38.96
FC1(F)CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]21	REAL300020300658	1	48	-1.0	-45.06	364.80	6.12	-38.94
FC1(F)CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]21	REAL300020300659	0	45	-1.0	-45.44	339.26	5.19	-40.25
FC1(F)CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]21	REAL300020300659	1	45	-1.0	-45.41	339.30	5.18	-40.23
C=CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300660	0	50	-1.0	-41.05	376.59	5.67	-35.38
C=CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300660	1	50	-1.0	-41.05	376.69	5.69	-35.36
C=CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300661	0	47	-1.0	-47.47	355.01	5.70	-41.77
C=CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300661	1	47	-1.0	-47.45	354.96	5.69	-41.76
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300662	0	54	-1.0	-40.98	415.86	8.97	-32.01
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300662	1	54	-1.0	-41.00	415.89	8.95	-32.05
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300663	0	49	-1.0	-46.56	366.93	6.82	-39.74
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300663	1	49	-1.0	-46.58	367.00	6.82	-39.76
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300664	0	46	-1.0	-41.21	340.37	4.68	-36.53
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300664	1	46	-1.0	-41.18	340.42	4.69	-36.49
C#CC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300665	0	43	-1.0	-42.18	339.94	5.46	-36.72
C#CC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300665	1	43	-1.0	-42.14	340.00	5.47	-36.67
C#CC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300666	0	40	-1.0	-49.88	317.59	4.81	-45.07
C#CC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300666	1	40	-1.0	-49.86	317.54	4.81	-45.05
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300667	0	47	-1.0	-48.32	370.76	7.96	-40.36
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300667	1	47	-1.0	-48.25	370.78	7.95	-40.30
CCC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300668	0	51	-1.0	-41.88	385.50	7.03	-34.85
CCC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300668	1	51	-1.0	-41.91	385.55	7.04	-34.87
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300669	0	48	-1.0	-42.07	363.04	6.43	-35.64
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300669	1	48	-1.0	-42.07	362.99	6.42	-35.65
C(CC1=NN=C(N2CCCC2C2CCCCO2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300670	0	55	-1.0	-46.67	394.82	4.40	-42.27
C(CC1=NN=C(N2CCCC2C2CCCCO2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300670	1	55	-1.0	-46.67	394.88	4.41	-42.26
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC2C2CCCCO2)N1C1CCOC1	REAL300020300671	0	52	-1.0	-42.62	381.08	5.92	-36.70
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC2C2CCCCO2)N1C1CCOC1	REAL300020300671	1	52	-1.0	-42.63	381.18	5.93	-36.70
C#CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300672	0	46	-1.0	-47.44	351.92	5.09	-42.35
C#CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300672	1	46	-1.0	-47.43	351.98	5.10	-42.33
C#CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300673	0	43	-1.0	-44.56	327.56	5.23	-39.33
C#CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300673	1	43	-1.0	-44.57	327.50	5.20	-39.37
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300674	0	50	-1.0	-42.66	402.03	9.57	-33.09
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300674	1	50	-1.0	-42.61	402.06	9.55	-33.06
CCOC1=CC=C(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020300675	0	54	-1.0	-47.82	420.01	7.53	-40.29
CCOC1=CC=C(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020300675	1	54	-1.0	-47.84	420.07	7.54	-40.30
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC(C3CCOC3)C2)N1C1CCOC1	REAL300020300676	0	55	-1.0	-46.62	390.50	5.93	-40.69
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC(C3CCOC3)C2)N1C1CCOC1	REAL300020300676	1	55	-1.0	-46.56	390.55	5.94	-40.62
C(CC1=NN=C(N2CCC(OC3COC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300677	0	53	-1.0	-44.79	408.48	3.87	-40.92
C(CC1=NN=C(N2CCC(OC3COC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300677	1	53	-1.0	-44.81	408.54	3.88	-40.93
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(OC3COC3)CC2)N1C1CCOC1	REAL300020300678	0	50	-1.0	-46.29	379.40	2.87	-43.42
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(OC3COC3)CC2)N1C1CCOC1	REAL300020300678	1	50	-1.0	-46.33	379.46	2.88	-43.45
CCCOC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300679	0	52	-1.0	-47.94	397.78	4.70	-43.24
CCCOC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300679	1	52	-1.0	-47.92	397.84	4.71	-43.21
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CCC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300684	0	51	-1.0	-49.88	390.14	10.29	-39.59
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300684	1	51	-1.0	-49.89	390.19	10.30	-39.59
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300685	0	48	-1.0	-47.08	361.94	9.50	-37.58
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300685	1	48	-1.0	-47.09	361.87	9.50	-37.59
C(CC1=NN=C(N2C[C@@H]3CCC[C@@H]3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300686	0	48	-1.0	-43.77	354.54	5.90	-37.87
C(CC1=NN=C(N2C[C@@H]3CCC[C@@H]3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300686	1	48	-1.0	-43.77	354.59	5.92	-37.85
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3CCC[C@@H]3C2)N1C1CCOC1	REAL300020300687	0	45	-1.0	-41.60	326.19	5.14	-36.46
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3CCC[C@@H]3C2)N1C1CCOC1	REAL300020300687	1	45	-1.0	-41.62	326.25	5.15	-36.47
C1=CC(C2=NN=C(N3C[C@@H]4CCC[C@@H]4C3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020300688	0	52	-1.0	-45.83	386.43	8.27	-37.56
C1=CC(C2=NN=C(N3C[C@@H]4CCC[C@@H]4C3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020300688	1	52	-1.0	-45.71	386.46	8.27	-37.44
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300689	0	42	-1.0	-41.53	317.69	3.83	-37.70
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300689	1	42	-1.0	-41.55	317.76	3.84	-37.71
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300690	0	39	-1.0	-46.59	295.41	3.85	-42.74
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300690	1	39	-1.0	-46.56	295.36	3.84	-42.72
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020300691	0	46	-1.0	-40.49	363.67	8.34	-32.15
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020300691	1	46	-1.0	-40.48	364.07	8.33	-32.15
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300692	0	50	-1.0	-45.17	383.26	-0.64	-45.81
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300692	1	50	-1.0	-45.13	383.33	-0.63	-45.76
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300693	0	47	-1.0	-51.92	361.22	-0.64	-52.56
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300693	1	47	-1.0	-51.95	361.27	-0.64	-52.59
C(CC1=NN=C(N2CC34CCC3(COC4)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300694	0	50	-1.0	-40.06	370.61	5.18	-34.88
C(CC1=NN=C(N2CC34CCC3(COC4)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300694	1	50	-1.0	-40.08	370.67	5.19	-34.89
C(C1=N[N-]N=N1)C1=NN=C(N2CC34CCC3(COC4)C2)N1C1CCOC1	REAL300020300695	0	47	-1.0	-41.39	348.40	4.37	-37.02
C(C1=NN=N[N-]1)C1=NN=C(N2CC34CCC3(COC4)C2)N1C1CCOC1	REAL300020300695	1	47	-1.0	-41.39	348.46	4.39	-37.00
C=CCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300696	0	47	-1.0	-40.47	360.14	5.67	-34.80
C=CCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300696	1	47	-1.0	-40.47	360.24	5.68	-34.79
C=CCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300697	0	44	-1.0	-45.29	337.31	5.76	-39.53
C=CCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300697	1	44	-1.0	-45.29	337.26	5.75	-39.54
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300698	0	51	-1.0	-41.53	393.12	9.06	-32.47
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300698	1	51	-1.0	-41.51	393.18	9.05	-32.46
FC(F)(F)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300699	0	45	-1.0	-43.97	359.36	3.64	-40.33
FC(F)(F)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300699	1	45	-1.0	-43.94	359.42	3.65	-40.29
FC(F)(F)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300700	0	42	-1.0	-46.07	339.65	3.36	-42.71
FC(F)(F)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300700	1	42	-1.0	-46.01	339.71	3.37	-42.64
FC(F)(F)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300701	0	45	-1.0	-43.92	356.43	3.31	-40.61
FC(F)(F)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300701	1	45	-1.0	-43.90	356.49	3.34	-40.56
FC(F)(F)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300702	0	42	-1.0	-42.82	337.56	3.22	-39.60
FC(F)(F)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300702	1	42	-1.0	-42.89	337.62	3.22	-39.67
CN(CC1=NN(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300703	0	47	-1.0	-44.63	374.50	5.74	-38.89
CN(CC1=NN(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300703	1	47	-1.0	-44.61	374.56	5.75	-38.86
CN(CC1=NN(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300704	0	44	-1.0	-49.75	350.25	4.22	-45.53
CN(CC1=NN(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300704	1	44	-1.0	-49.72	350.21	4.21	-45.51
CN1N=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCN2C1=O	REAL300020300705	0	48	-1.0	-46.10	373.43	3.84	-42.26
CN1N=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCN2C1=O	REAL300020300705	1	48	-1.0	-46.12	373.49	3.86	-42.26
CN1N=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN2C1=O	REAL300020300706	0	45	-1.0	-48.76	356.68	4.34	-44.42
CN1N=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN2C1=O	REAL300020300706	1	45	-1.0	-48.77	356.73	4.35	-44.42
C1=CSC(C23CCC2CCN3C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020300707	0	49	-1.0	-49.30	375.47	7.40	-41.90
C1=CSC(C23CCC2CCN3C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020300707	1	49	-1.0	-49.27	375.51	7.42	-41.85
N#CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300708	0	49	-1.0	-45.55	388.19	7.45	-38.10
N#CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300708	1	49	-1.0	-45.53	388.25	7.46	-38.07
N#CC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300709	0	46	-1.0	-48.45	367.80	7.16	-41.29
N#CC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300709	1	46	-1.0	-48.43	367.75	7.15	-41.28
O=C1CCC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C1C2	REAL300020300710	0	50	-1.0	-53.72	365.69	5.83	-47.89
O=C1CCC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C1C2	REAL300020300710	1	50	-1.0	-53.71	365.75	5.86	-47.85
O=C1CCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C1C2	REAL300020300711	0	47	-1.0	-50.46	337.53	5.03	-45.43
O=C1CCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C1C2	REAL300020300711	1	47	-1.0	-50.49	337.54	5.04	-45.45
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCOCC1	REAL300020300712	0	48	-1.0	-42.52	358.46	3.49	-39.03
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCOCC1	REAL300020300712	1	48	-1.0	-42.51	358.52	3.51	-39.00
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCOCC1	REAL300020300713	0	45	-1.0	-45.74	338.44	2.93	-42.81
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCOCC1	REAL300020300713	1	45	-1.0	-45.77	338.49	2.94	-42.83
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C1CCOCC1	REAL300020300714	0	52	-1.0	-43.00	386.67	6.30	-36.70
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C1CCOCC1	REAL300020300714	1	52	-1.0	-42.91	386.73	6.29	-36.62
C(CC1=NN=C(N2CCC3(C2)COCCO3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300715	0	50	-1.0	-47.83	368.65	3.72	-44.11
C(CC1=NN=C(N2CCC3(C2)COCCO3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300715	1	50	-1.0	-47.82	368.72	3.73	-44.09
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)COCCO3)N1C1CCOC1	REAL300020300716	0	47	-1.0	-48.67	350.56	2.67	-46.00
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)COCCO3)N1C1CCOC1	REAL300020300716	1	47	-1.0	-48.66	350.63	2.67	-45.99
CC1CCC(F)(F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300717	0	47	-1.0	-42.75	365.67	5.48	-37.27
CC1CCC(F)(F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300717	1	47	-1.0	-42.69	365.73	5.49	-37.20
CC1CCC(F)(F)CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300718	0	44	-1.0	-40.69	346.49	4.12	-36.57
CC1CCC(F)(F)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300718	1	44	-1.0	-40.68	346.54	4.14	-36.54
C(CC1=NN=C(N2CCC3(CCCO3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300719	0	49	-1.0	-48.22	366.45	4.42	-43.80
C(CC1=NN=C(N2CCC3(CCCO3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300719	1	49	-1.0	-48.21	366.51	4.44	-43.77
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCCO3)C2)N1C1CCOC1	REAL300020300720	0	46	-1.0	-46.13	338.09	3.66	-42.47
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCCO3)C2)N1C1CCOC1	REAL300020300720	1	46	-1.0	-46.14	338.14	3.67	-42.47
O=S1(=O)CCC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]21	REAL300020300721	0	48	-1.0	-53.17	364.28	2.53	-50.64
O=S1(=O)CCC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]21	REAL300020300721	1	48	-1.0	-53.18	364.33	2.54	-50.64
C1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2CCC2)C=C1	REAL300020300722	0	54	-1.0	-47.48	403.74	8.00	-39.48
C1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2CCC2)C=C1	REAL300020300722	1	54	-1.0	-47.46	403.81	8.02	-39.44
C1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CCC2)C=C1	REAL300020300723	0	51	-1.0	-47.21	383.94	8.38	-38.83
C1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CCC2)C=C1	REAL300020300723	1	51	-1.0	-47.25	383.87	8.38	-38.87
C[NH+](C)C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2C1	REAL300020300724	0	57	0.0	-66.30	391.60	7.08	-59.22
C[NH+](C)C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2C1	REAL300020300724	1	57	0.0	-66.34	391.64	7.08	-59.26
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCC2=CC=CC=C2C1	REAL300020300725	0	54	-1.0	-45.48	400.17	8.41	-37.07
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCC2=CC=CC=C2C1	REAL300020300725	1	54	-1.0	-45.47	400.23	8.42	-37.05
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCC2=CC=CC=C2C1	REAL300020300726	0	51	-1.0	-49.97	379.32	7.38	-42.59
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCC2=CC=CC=C2C1	REAL300020300726	1	51	-1.0	-50.01	379.33	7.39	-42.62
CCC1=NN(C)C(CC)=C1NC1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300727	0	53	-1.0	-45.45	419.89	7.24	-38.21
CCC1=NN(C)C(CC)=C1NC1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300727	1	53	-1.0	-45.48	419.95	7.26	-38.22
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300728	0	50	-1.0	-47.39	395.68	6.39	-41.00
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300728	1	50	-1.0	-47.39	395.63	6.37	-41.02
CC1(C)COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300729	0	51	-1.0	-38.05	366.46	5.83	-32.22
CC1(C)COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300729	1	51	-1.0	-38.08	366.52	5.85	-32.23
CC1(C)COCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300730	0	48	-1.0	-43.00	351.84	3.46	-39.54
CC1(C)COCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300730	1	48	-1.0	-43.00	351.89	3.47	-39.53
C(CC1=NN=C(N2CCC3COCCC32)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300731	0	49	-1.0	-45.87	365.98	4.14	-41.73
C(CC1=NN=C(N2CCC3COCCC32)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300731	1	49	-1.0	-45.90	366.04	4.16	-41.74
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3COCCC32)N1C1CCOC1	REAL300020300732	0	46	-1.0	-43.86	337.61	3.35	-40.51
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3COCCC32)N1C1CCOC1	REAL300020300732	1	46	-1.0	-43.88	337.67	3.36	-40.52
C=CCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300733	0	50	-1.0	-41.10	381.56	6.55	-34.55
C=CCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300733	1	50	-1.0	-41.12	381.66	6.55	-34.57
C=CCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300734	0	47	-1.0	-45.20	364.56	6.39	-38.81
C=CCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300734	1	47	-1.0	-45.22	364.61	6.40	-38.82
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300735	0	54	-1.0	-41.65	415.50	9.86	-31.79
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300735	1	54	-1.0	-41.61	415.21	9.78	-31.83
CC1=CC(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=CC(C)=C1	REAL300020300736	0	54	-1.0	-46.47	419.68	7.50	-38.97
CC1=CC(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=CC(C)=C1	REAL300020300736	1	54	-1.0	-46.48	419.71	7.51	-38.97
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CC(F)(F)C1	REAL300020300737	0	44	-1.0	-41.54	343.38	5.23	-36.31
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CC(F)(F)C1	REAL300020300737	1	44	-1.0	-41.54	343.46	5.24	-36.30
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC(F)(F)C1	REAL300020300738	0	41	-1.0	-46.64	327.11	4.87	-41.77
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC(F)(F)C1	REAL300020300738	1	41	-1.0	-46.67	327.15	4.87	-41.80
COC1CCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300739	0	48	-1.0	-46.31	369.51	4.28	-42.03
COC1CCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300739	1	48	-1.0	-46.32	369.56	4.29	-42.03
COC1CCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300740	0	45	-1.0	-43.70	349.96	4.37	-39.33
COC1CCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300740	1	45	-1.0	-43.71	350.00	4.38	-39.33
COC1CCC1N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300741	0	52	-1.0	-46.10	405.62	7.11	-38.99
COC1CCC1N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300741	1	52	-1.0	-46.14	405.78	7.10	-39.04
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300742	0	49	-1.0	-40.93	379.64	5.68	-35.25
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300742	1	49	-1.0	-40.92	379.69	5.70	-35.22
C=CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300743	0	46	-1.0	-44.10	357.87	4.15	-39.95
C=CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300743	1	46	-1.0	-44.10	357.93	4.18	-39.92
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300744	0	49	-1.0	-45.64	377.74	7.00	-38.64
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300744	1	49	-1.0	-45.64	377.80	7.01	-38.63
C#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300745	0	46	-1.0	-43.61	356.92	7.07	-36.54
C#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300745	1	46	-1.0	-43.62	356.97	7.09	-36.53
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020300746	0	52	-1.0	-47.20	399.89	6.92	-40.28
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020300746	1	52	-1.0	-47.24	399.94	6.96	-40.28
C(CC1=NN=C(N2CCCC(C3CCCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300747	0	57	-1.0	-41.47	415.28	9.15	-32.32
C(CC1=NN=C(N2CCCC(C3CCCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300747	1	57	-1.0	-41.45	415.34	9.17	-32.28
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC(C3CCCC3)C2)N1C1CCOC1	REAL300020300748	0	54	-1.0	-43.22	395.37	7.56	-35.66
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC(C3CCCC3)C2)N1C1CCOC1	REAL300020300748	1	54	-1.0	-43.26	395.42	7.57	-35.69
CC1=NC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=NO1	REAL300020300749	0	48	-1.0	-45.74	368.03	2.89	-42.85
CC1=NC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=NO1	REAL300020300749	1	48	-1.0	-45.71	368.09	2.90	-42.81
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC[C@H]1C	REAL300020300750	0	51	-1.0	-41.79	379.63	4.17	-37.62
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC[C@H]1C	REAL300020300750	1	51	-1.0	-41.77	379.69	4.19	-37.58
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC[C@H]1C	REAL300020300751	0	48	-1.0	-46.16	362.93	4.67	-41.49
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[C@H]1C	REAL300020300751	1	48	-1.0	-46.20	362.98	4.69	-41.51
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(=O)N1	REAL300020300752	0	48	-1.0	-41.90	370.90	3.77	-38.13
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(=O)N1	REAL300020300752	1	48	-1.0	-41.91	370.96	3.79	-38.12
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(=O)N1	REAL300020300753	0	45	-1.0	-44.33	348.44	2.09	-42.24
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(=O)N1	REAL300020300753	1	45	-1.0	-44.31	348.40	2.09	-42.22
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1COC	REAL300020300754	0	55	-1.0	-46.06	414.35	3.48	-42.58
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1COC	REAL300020300754	1	55	-1.0	-46.06	414.41	3.49	-42.57
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1COC	REAL300020300755	0	52	-1.0	-43.41	386.30	2.65	-40.76
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1COC	REAL300020300755	1	52	-1.0	-43.43	386.36	2.66	-40.77
O=C1NCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1(F)F	REAL300020300756	0	48	-1.0	-54.09	367.67	2.42	-51.67
O=C1NCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(F)F	REAL300020300756	1	48	-1.0	-54.10	367.73	2.43	-51.67
O=C1NCCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(F)F	REAL300020300757	0	45	-1.0	-43.63	345.53	3.22	-40.41
O=C1NCCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(F)F	REAL300020300757	1	45	-1.0	-43.67	345.60	3.23	-40.44
CC(C)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300758	0	52	-1.0	-40.85	386.31	6.49	-34.36
CC(C)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300758	1	52	-1.0	-40.85	386.42	6.50	-34.35
CC(C)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300759	0	49	-1.0	-44.89	369.32	6.34	-38.55
CC(C)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300759	1	49	-1.0	-44.87	369.37	6.34	-38.53
CC(C)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300760	0	56	-1.0	-41.24	420.26	9.81	-31.43
CC(C)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300760	1	56	-1.0	-41.21	419.98	9.74	-31.47
CN(CCN1C=CN=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300761	0	47	-1.0	-47.47	365.48	6.23	-41.24
CN(CCN1C=CN=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300761	1	47	-1.0	-47.51	365.55	6.25	-41.26
CN(CCN1C=CN=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300762	0	44	-1.0	-50.27	349.14	6.09	-44.18
CN(CCN1C=CN=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300762	1	44	-1.0	-50.31	349.19	6.10	-44.21
CN(CCCN1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300763	0	56	-1.0	-42.32	413.43	2.91	-39.41
CN(CCCN1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300763	1	56	-1.0	-42.33	413.50	2.93	-39.40
CN(CCC[NH+]1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300763	1	57	0.0	-70.13	416.71	5.21	-64.92
CN(CCCN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300764	0	53	-1.0	-46.33	395.67	2.59	-43.74
CN(CCCN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300764	1	53	-1.0	-46.35	395.71	2.59	-43.76
CN(CCC[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300764	1	54	0.0	-74.70	399.65	5.06	-69.64
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020300765	0	52	-1.0	-46.89	399.88	5.83	-41.06
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020300765	1	52	-1.0	-46.88	399.92	5.84	-41.04
CN(CC1CCSCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300766	0	51	-1.0	-41.32	385.61	6.91	-34.41
CN(CC1CCSCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300766	1	51	-1.0	-41.29	385.67	6.91	-34.38
CN(CC1CCSCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300767	0	48	-1.0	-46.21	369.77	6.93	-39.28
CN(CC1CCSCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300767	1	48	-1.0	-46.27	369.81	6.95	-39.32
CN(CC1=CN=CN1C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300768	0	47	-1.0	-45.12	361.65	5.69	-39.43
CN(CC1=CN=CN1C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300768	1	47	-1.0	-45.06	361.70	5.71	-39.35
CN(CC1=CN=CN1C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300769	0	44	-1.0	-42.23	349.84	6.28	-35.95
CN(CC1=CN=CN1C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300769	1	44	-1.0	-42.23	349.90	6.30	-35.93
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C)CO1	REAL300020300770	0	54	-1.0	-40.23	392.67	4.47	-35.76
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C)CO1	REAL300020300770	1	54	-1.0	-40.21	392.72	4.48	-35.73
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C)CO1	REAL300020300771	0	51	-1.0	-46.20	369.69	4.47	-41.73
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C)CO1	REAL300020300771	1	51	-1.0	-46.21	369.76	4.48	-41.73
OCC1CC2(CO1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020300772	0	53	-1.0	-44.33	395.41	2.56	-41.77
OCC1CC2(CO1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020300772	1	53	-1.0	-44.28	395.46	2.59	-41.69
COCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300773	0	54	-1.0	-42.13	410.33	6.73	-35.40
COCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300773	1	54	-1.0	-42.14	410.39	6.75	-35.39
COCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300774	0	51	-1.0	-45.16	377.24	4.19	-40.97
COCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300774	1	51	-1.0	-45.14	377.30	4.21	-40.93
CN1C=NC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300775	0	54	-1.0	-48.37	410.92	7.78	-40.59
CN1C=NC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300775	1	54	-1.0	-48.39	410.98	7.79	-40.60
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300775	1	55	0.0	-72.63	413.58	8.29	-64.34
CN1C=NC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300776	0	51	-1.0	-44.24	383.09	7.03	-37.21
CN1C=NC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300776	1	51	-1.0	-44.27	383.14	7.03	-37.24
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300776	1	52	0.0	-65.85	386.52	7.54	-58.31
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300777	0	49	-1.0	-41.90	372.95	5.95	-35.95
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300777	1	49	-1.0	-41.86	373.01	5.96	-35.90
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300778	0	46	-1.0	-43.38	343.09	4.55	-38.83
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300778	1	46	-1.0	-43.38	343.03	4.53	-38.85
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC[NH+](C(C)(C)C)CC1	REAL300020300779	0	59	0.0	-59.93	411.67	6.83	-53.10
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC[NH+](C(C)(C)C)CC1	REAL300020300779	1	59	0.0	-59.97	411.74	6.84	-53.13
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300780	0	49	-1.0	-49.29	381.09	7.09	-42.20
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300780	1	49	-1.0	-49.27	381.01	7.08	-42.19
CC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1F	REAL300020300781	0	51	-1.0	-42.91	393.88	8.24	-34.67
CC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1F	REAL300020300781	1	51	-1.0	-42.94	393.93	8.25	-34.69
CC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1F	REAL300020300782	0	48	-1.0	-51.47	366.14	6.60	-44.87
CC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1F	REAL300020300782	1	48	-1.0	-51.45	366.19	6.61	-44.84
CC1=CC(F)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020300783	0	51	-1.0	-42.79	395.00	8.25	-34.54
CC1=CC(F)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020300783	1	51	-1.0	-42.78	395.05	8.27	-34.51
CC1=CC(F)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020300784	0	48	-1.0	-51.23	367.25	6.61	-44.62
CC1=CC(F)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020300784	1	48	-1.0	-51.20	367.30	6.63	-44.57
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300785	0	55	-1.0	-41.75	397.79	6.50	-35.25
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300785	1	55	-1.0	-41.77	397.84	6.51	-35.26
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300786	0	52	-1.0	-48.59	370.62	5.38	-43.21
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300786	1	52	-1.0	-48.60	370.68	5.39	-43.21
CC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C=C1	REAL300020300787	0	54	-1.0	-41.02	402.52	8.56	-32.46
CC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C=C1	REAL300020300787	1	54	-1.0	-41.03	402.57	8.56	-32.47
C(CC1=NN=C(N2CC3CCCC(C2)O3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300788	0	49	-1.0	-40.75	352.67	6.01	-34.74
C(CC1=NN=C(N2CC3CCCC(C2)O3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300788	1	49	-1.0	-40.76	352.74	6.02	-34.74
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCC(C2)O3)N1C1CCOC1	REAL300020300789	0	46	-1.0	-43.63	334.49	5.54	-38.09
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCC(C2)O3)N1C1CCOC1	REAL300020300789	1	46	-1.0	-43.51	334.41	5.54	-37.97
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020300790	0	48	-1.0	-50.66	361.85	2.20	-48.46
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020300790	1	48	-1.0	-50.63	361.91	2.20	-48.43
C(CC1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300791	0	50	-1.0	-46.33	372.38	4.32	-42.01
C(CC1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300791	1	50	-1.0	-46.34	372.44	4.35	-41.99
C(C1=N[N-]N=N1)C1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1C1CCOC1	REAL300020300792	0	47	-1.0	-42.90	351.94	2.84	-40.06
C(C1=NN=N[N-]1)C1=NN=C(N2CC[C@@H]3OCCO[C@H]3C2)N1C1CCOC1	REAL300020300792	1	47	-1.0	-42.93	352.01	2.85	-40.08
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1COC	REAL300020300793	0	55	-1.0	-43.49	416.45	3.38	-40.11
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1COC	REAL300020300793	1	55	-1.0	-43.49	416.51	3.40	-40.09
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1COC	REAL300020300794	0	52	-1.0	-47.68	397.56	2.95	-44.73
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1COC	REAL300020300794	1	52	-1.0	-47.67	397.62	2.97	-44.70
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300795	0	53	-1.0	-40.91	377.77	6.72	-34.19
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300795	1	53	-1.0	-40.92	377.84	6.74	-34.18
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300796	0	50	-1.0	-41.28	360.28	7.02	-34.26
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300796	1	50	-1.0	-41.25	360.36	7.04	-34.21
FC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC12CCOC2	REAL300020300797	0	49	-1.0	-46.23	371.64	4.71	-41.52
FC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC12CCOC2	REAL300020300797	1	49	-1.0	-46.27	371.72	4.72	-41.55
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC12CC2	REAL300020300798	0	49	-1.0	-42.52	375.73	5.28	-37.24
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC12CC2	REAL300020300798	1	49	-1.0	-42.48	375.78	5.30	-37.18
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC12CC2	REAL300020300799	0	46	-1.0	-47.59	351.13	4.43	-43.16
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC12CC2	REAL300020300799	1	46	-1.0	-47.59	351.19	4.43	-43.16
CN1CCCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C1=O	REAL300020300800	0	52	-1.0	-58.11	384.61	4.40	-53.71
CN1CCCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C1=O	REAL300020300800	1	52	-1.0	-58.09	384.67	4.40	-53.69
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300801	0	54	-1.0	-42.38	410.63	5.61	-36.77
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300801	1	54	-1.0	-42.36	410.68	5.63	-36.73
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300802	0	51	-1.0	-58.76	385.77	4.78	-53.98
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300802	1	51	-1.0	-58.75	385.81	4.77	-53.98
O=C1OCCC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300803	0	48	-1.0	-48.01	359.81	4.78	-43.23
O=C1OCCC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300803	1	48	-1.0	-47.98	359.87	4.77	-43.21
O=C1OCCC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300804	0	45	-1.0	-44.95	344.80	4.92	-40.03
O=C1OCCC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300804	1	45	-1.0	-44.97	344.88	4.96	-40.01
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300805	0	54	-1.0	-49.05	398.43	5.42	-43.63
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300805	1	54	-1.0	-49.02	398.49	5.43	-43.59
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300806	0	51	-1.0	-42.44	395.99	4.64	-37.80
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300806	1	51	-1.0	-42.48	396.07	4.67	-37.81
CC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCN21	REAL300020300807	0	48	-1.0	-47.06	363.83	5.30	-41.76
CC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCN21	REAL300020300807	1	48	-1.0	-47.12	363.89	5.32	-41.80
CC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN21	REAL300020300808	0	45	-1.0	-54.52	342.56	4.33	-50.19
CC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN21	REAL300020300808	1	45	-1.0	-54.56	342.61	4.36	-50.20
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300809	0	52	-1.0	-45.19	387.83	4.37	-40.82
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300809	1	52	-1.0	-45.19	387.89	4.37	-40.82
COC1=CC=C2C(=C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2C	REAL300020300810	0	52	-1.0	-46.12	381.98	5.06	-41.06
COC1=CC=C2C(=C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2C	REAL300020300810	1	52	-1.0	-46.16	382.04	5.07	-41.09
CCC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020300811	0	54	-1.0	-41.32	415.88	8.78	-32.54
CCC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020300811	1	54	-1.0	-41.36	415.93	8.79	-32.57
CCC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020300812	0	51	-1.0	-45.13	391.91	8.37	-36.76
CCC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020300812	1	51	-1.0	-45.11	391.86	8.36	-36.75
CC1N(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCC1(C)C	REAL300020300813	0	50	-1.0	-44.64	368.00	5.90	-38.74
CC1N(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCC1(C)C	REAL300020300813	1	50	-1.0	-44.70	368.06	5.91	-38.79
CC1N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCC1(C)C	REAL300020300814	0	47	-1.0	-43.27	339.78	5.10	-38.17
CC1N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCC1(C)C	REAL300020300814	1	47	-1.0	-43.25	339.82	5.11	-38.14
CC1N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCC1(C)C	REAL300020300815	0	54	-1.0	-45.74	399.13	8.24	-37.50
CC1N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCC1(C)C	REAL300020300815	1	54	-1.0	-45.76	399.17	8.23	-37.53
O=C1NCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1(F)F	REAL300020300816	0	45	-1.0	-46.20	344.06	0.63	-45.57
O=C1NCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(F)F	REAL300020300816	1	45	-1.0	-46.21	344.11	0.64	-45.57
O=C1NCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(F)F	REAL300020300817	0	42	-1.0	-46.52	332.88	2.12	-44.40
O=C1NCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(F)F	REAL300020300817	1	42	-1.0	-46.56	332.93	2.15	-44.41
BrC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300818	0	42	-1.0	-40.74	344.39	5.59	-35.15
BrC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300818	1	42	-1.0	-40.71	344.45	5.60	-35.11
BrC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300819	0	39	-1.0	-43.52	323.72	5.31	-38.21
BrC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300819	1	39	-1.0	-43.53	323.77	5.32	-38.21
C[NH+]1CC23CN(C4=NN=C(CC5=N[N-]N=N5)N4C4CCOC4)CC2(C1)CCCC3	REAL300020300820	0	58	0.0	-63.16	400.09	6.68	-56.48
C[NH+]1CC23CN(C4=NN=C(CC5=NN=N[N-]5)N4C4CCOC4)CC2(C1)CCCC3	REAL300020300820	1	58	0.0	-63.17	400.15	6.68	-56.49
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC12CCC2	REAL300020300821	0	51	-1.0	-53.88	385.01	6.07	-47.81
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC12CCC2	REAL300020300821	1	51	-1.0	-53.89	385.06	6.07	-47.82
COCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300822	0	52	-1.0	-43.29	401.72	4.58	-38.71
COCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300822	1	52	-1.0	-43.34	401.78	4.59	-38.75
COCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300823	0	49	-1.0	-46.66	377.27	2.74	-43.92
COCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300823	1	49	-1.0	-46.70	377.32	2.74	-43.96
CN(C)C1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=N1	REAL300020300824	0	51	-1.0	-47.06	395.74	7.30	-39.76
CN(C)C1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=N1	REAL300020300824	1	51	-1.0	-47.10	395.80	7.32	-39.78
CC1=CC(C)=NN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300825	0	54	-1.0	-48.27	410.01	6.23	-42.04
CC1=CC(C)=NN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300825	1	54	-1.0	-48.27	410.08	6.23	-42.04
OC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020300826	0	49	-1.0	-44.79	379.66	4.23	-40.56
OC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020300826	1	49	-1.0	-44.82	379.72	4.25	-40.57
OC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020300827	0	46	-1.0	-51.21	353.89	3.32	-47.89
OC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020300827	1	46	-1.0	-51.20	353.84	3.30	-47.90
C(C1=CC=CS1)=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300828	0	49	-1.0	-45.02	382.98	7.32	-37.70
C(C1=CC=CS1)=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300828	1	49	-1.0	-45.09	383.07	7.31	-37.78
CC(C)CC1(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300829	0	56	-1.0	-41.59	411.46	8.40	-33.19
CC(C)CC1(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300829	1	56	-1.0	-41.58	411.52	8.41	-33.17
CC(C)CC1(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300830	0	53	-1.0	-44.91	387.31	8.39	-36.52
CC(C)CC1(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300830	1	53	-1.0	-44.96	387.37	8.41	-36.55
O=C1CCOC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C1	REAL300020300831	0	51	-1.0	-47.66	376.42	4.18	-43.48
O=C1CCOC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C1	REAL300020300831	1	51	-1.0	-47.65	376.48	4.20	-43.45
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300832	0	50	-1.0	-42.56	384.24	5.28	-37.28
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300832	1	50	-1.0	-42.57	384.29	5.29	-37.28
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300833	0	47	-1.0	-47.13	368.45	5.18	-41.95
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300833	1	47	-1.0	-47.14	368.51	5.20	-41.94
C=CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300834	0	47	-1.0	-40.99	360.06	5.77	-35.22
C=CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300834	1	47	-1.0	-41.05	360.16	5.77	-35.28
C=CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300835	0	44	-1.0	-44.89	343.11	5.62	-39.27
C=CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300835	1	44	-1.0	-44.89	343.06	5.61	-39.28
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300836	0	51	-1.0	-41.45	394.00	9.08	-32.37
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300836	1	51	-1.0	-41.39	393.71	9.00	-32.39
C(CC1=NN=C(N2CCCC3(CCCO3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300837	0	52	-1.0	-43.89	376.99	4.49	-39.40
C(CC1=NN=C(N2CCCC3(CCCO3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300837	1	52	-1.0	-43.89	377.06	4.50	-39.39
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCO3)C2)N1C1CCOC1	REAL300020300838	0	49	-1.0	-48.36	365.00	5.15	-43.21
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCO3)C2)N1C1CCOC1	REAL300020300838	1	49	-1.0	-48.40	365.05	5.16	-43.24
C=CCN(CC(=C)Br)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300839	0	42	-1.0	-43.32	350.84	6.13	-37.19
C=CCN(CC(=C)Br)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300839	1	42	-1.0	-43.34	350.91	6.14	-37.20
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300840	0	47	-1.0	-46.30	365.97	7.42	-38.88
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300840	1	47	-1.0	-46.31	366.03	7.42	-38.89
O=C1O[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]2O1	REAL300020300841	0	43	-1.0	-53.43	340.71	4.01	-49.42
O=C1O[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]2O1	REAL300020300841	1	43	-1.0	-53.43	340.76	4.03	-49.40
O=C1O[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]2O1	REAL300020300842	0	40	-1.0	-52.54	315.36	3.12	-49.42
O=C1O[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]2O1	REAL300020300842	1	40	-1.0	-52.54	315.41	3.13	-49.41
C(CC1=NN=C(N2CCCC3(COC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300843	0	49	-1.0	-41.48	374.71	5.41	-36.07
C(CC1=NN=C(N2CCCC3(COC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300843	1	49	-1.0	-41.49	374.76	5.43	-36.06
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(COC3)C2)N1C1CCOC1	REAL300020300844	0	46	-1.0	-45.05	350.63	3.51	-41.54
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(COC3)C2)N1C1CCOC1	REAL300020300844	1	46	-1.0	-45.04	350.68	3.52	-41.52
CN1C=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2CC2)N=N1	REAL300020300845	0	50	-1.0	-49.62	383.48	5.17	-44.45
CN1C=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2CC2)N=N1	REAL300020300845	1	50	-1.0	-49.62	383.54	5.20	-44.42
CN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CC2)N=N1	REAL300020300846	0	47	-1.0	-50.51	359.62	4.56	-45.95
CN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CC2)N=N1	REAL300020300846	1	47	-1.0	-50.51	359.68	4.56	-45.95
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1F	REAL300020300847	0	45	-1.0	-39.72	344.82	3.21	-36.51
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1F	REAL300020300847	1	45	-1.0	-39.73	344.88	3.23	-36.50
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1F	REAL300020300848	0	42	-1.0	-43.75	324.58	2.73	-41.02
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1F	REAL300020300848	1	42	-1.0	-43.72	324.63	2.74	-40.98
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300849	0	52	-1.0	-44.43	392.29	4.34	-40.09
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300849	1	52	-1.0	-44.43	392.35	4.36	-40.07
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300850	0	49	-1.0	-46.37	363.53	2.92	-43.45
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300850	1	49	-1.0	-46.40	363.47	2.91	-43.49
CC(C)(C)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300851	0	59	-1.0	-40.00	422.91	7.93	-32.07
CC(C)(C)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300851	1	59	-1.0	-39.95	422.97	7.94	-32.01
CC(C)(C)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300852	0	56	-1.0	-43.77	403.33	7.47	-36.30
CC(C)(C)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300852	1	56	-1.0	-43.76	403.38	7.49	-36.27
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300853	0	54	-1.0	-40.18	396.38	6.84	-33.34
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300853	1	54	-1.0	-40.21	396.44	6.86	-33.35
CCC1CC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300854	0	51	-1.0	-42.94	373.70	6.16	-36.78
CCC1CC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300854	1	51	-1.0	-42.92	373.76	6.19	-36.73
FC(F)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300855	0	47	-1.0	-42.91	361.46	5.73	-37.18
FC(F)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300855	1	47	-1.0	-42.87	361.51	5.74	-37.13
FC(F)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300856	0	44	-1.0	-45.00	344.09	6.07	-38.93
FC(F)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300856	1	44	-1.0	-44.99	344.14	6.09	-38.90
CC(C)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020300857	0	54	-1.0	-49.10	400.62	7.84	-41.26
CC(C)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020300857	1	54	-1.0	-49.07	400.67	7.86	-41.21
O=S1(=O)CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C1	REAL300020300858	0	48	-1.0	-61.24	368.47	2.07	-59.17
O=S1(=O)CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C1	REAL300020300858	1	48	-1.0	-61.26	368.51	2.07	-59.19
CN(CCCC1=CC=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300859	0	52	-1.0	-43.77	400.69	6.43	-37.34
CN(CCCC1=CC=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300859	1	52	-1.0	-43.78	400.75	6.46	-37.32
CN(CCCC1=CC=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300860	0	49	-1.0	-43.40	385.71	6.89	-36.51
CN(CCCC1=CC=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300860	1	49	-1.0	-43.42	385.77	6.92	-36.50
C1=CC=C(COC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020300861	0	52	-1.0	-47.75	403.56	6.88	-40.87
C1=CC=C(COC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020300861	1	52	-1.0	-47.77	403.61	6.90	-40.87
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1C(F)(F)F	REAL300020300862	0	47	-1.0	-43.19	367.80	5.48	-37.71
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1C(F)(F)F	REAL300020300862	1	47	-1.0	-43.20	367.85	5.50	-37.70
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1C(F)(F)F	REAL300020300863	0	44	-1.0	-46.97	345.39	5.53	-41.44
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1C(F)(F)F	REAL300020300863	1	44	-1.0	-47.00	345.44	5.53	-41.47
NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300864	0	48	-1.0	-47.72	359.53	0.98	-46.74
NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300864	1	48	-1.0	-47.75	359.59	1.00	-46.75
NC(=O)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300865	0	45	-1.0	-51.46	339.57	1.02	-50.44
NC(=O)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300865	1	45	-1.0	-51.51	339.63	1.03	-50.48
CN1C(=O)C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC[C@H]21	REAL300020300866	0	52	-1.0	-49.44	390.20	5.50	-43.94
CN1C(=O)C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC[C@H]21	REAL300020300866	1	52	-1.0	-49.50	390.25	5.51	-43.99
CN1C(=O)C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC[C@H]21	REAL300020300867	0	49	-1.0	-55.04	369.67	4.24	-50.80
CN1C(=O)C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC[C@H]21	REAL300020300867	1	49	-1.0	-55.03	369.71	4.25	-50.78
CCC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020300868	0	54	-1.0	-41.55	412.28	8.65	-32.90
CCC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020300868	1	54	-1.0	-41.54	412.34	8.67	-32.87
CCC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020300869	0	51	-1.0	-49.06	383.31	7.38	-41.68
CCC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020300869	1	51	-1.0	-49.06	383.26	7.36	-41.70
C(C1=N[N-]N=N1)C1=NN=C(N2CCN3C(=NC4=C3CCCC4)C2)N1C1CCOC1	REAL300020300870	0	52	-1.0	-56.58	385.17	5.93	-50.65
C(C1=NN=N[N-]1)C1=NN=C(N2CCN3C(=NC4=C3CCCC4)C2)N1C1CCOC1	REAL300020300870	1	52	-1.0	-56.56	385.22	5.95	-50.61
CC(CC(N)=O)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300871	0	47	-1.0	-50.56	355.57	0.76	-49.80
CC(CC(N)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300871	1	47	-1.0	-50.59	355.67	0.78	-49.81
CC(CC(N)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300872	0	44	-1.0	-50.73	334.38	1.39	-49.34
CC(CC(N)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300872	1	44	-1.0	-50.77	334.33	1.38	-49.39
CC(CC(N)=O)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300873	0	51	-1.0	-49.61	394.51	2.73	-46.88
CC(CC(N)=O)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300873	1	51	-1.0	-49.61	394.50	2.72	-46.89
CC1=CC(C)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020300874	0	54	-1.0	-44.48	404.81	7.15	-37.33
CC1=CC(C)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020300874	1	54	-1.0	-44.49	404.86	7.18	-37.31
CC1=CC(C)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020300875	0	51	-1.0	-49.41	379.72	7.11	-42.30
CC1=CC(C)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020300875	1	51	-1.0	-49.40	379.66	7.09	-42.31
CC1=CSC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020300876	0	47	-1.0	-40.53	380.98	7.71	-32.82
CC1=CSC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020300876	1	47	-1.0	-40.51	381.04	7.73	-32.78
CC1=CSC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020300877	0	44	-1.0	-44.73	358.72	6.30	-38.43
CC1=CSC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020300877	1	44	-1.0	-44.65	358.66	6.28	-38.37
CCC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020300878	0	54	-1.0	-43.96	402.20	7.18	-36.78
CCC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020300878	1	54	-1.0	-43.95	402.25	7.20	-36.75
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020300879	0	51	-1.0	-48.97	377.10	7.13	-41.84
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020300879	1	51	-1.0	-48.99	377.05	7.11	-41.88
C(CC1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300880	0	52	-1.0	-42.39	374.47	5.07	-37.32
C(CC1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300880	1	52	-1.0	-42.40	374.53	5.08	-37.32
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1C1CCOC1	REAL300020300881	0	49	-1.0	-42.15	355.37	4.20	-37.95
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H]3OCC[C@@H]3C2)N1C1CCOC1	REAL300020300881	1	49	-1.0	-40.82	355.01	4.31	-36.51
CN(CC1=CC2=CC=NC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300882	0	49	-1.0	-44.71	387.09	6.81	-37.90
CN(CC1=CC2=CC=NC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300882	1	49	-1.0	-44.74	387.04	6.79	-37.95
CN(CC1COC(C)(C)OC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300883	0	55	-1.0	-42.36	406.60	4.75	-37.61
CN(CC1COC(C)(C)OC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300883	1	55	-1.0	-42.40	406.65	4.77	-37.63
CN(CC1COC(C)(C)OC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300884	0	52	-1.0	-40.91	389.12	5.24	-35.67
CN(CC1COC(C)(C)OC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300884	1	52	-1.0	-40.95	389.19	5.26	-35.69
C1=NN(CC2CCC2)C=C1NC1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300885	0	51	-1.0	-45.26	406.00	8.20	-37.06
C1=NN(CC2CCC2)C=C1NC1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300885	1	51	-1.0	-45.27	405.94	8.19	-37.08
C1=NN(CC2CCC2)C=C1NC1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300886	0	48	-1.0	-48.18	381.78	7.35	-40.83
C1=NN(CC2CCC2)C=C1NC1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300886	1	48	-1.0	-48.18	381.73	7.33	-40.85
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1C2CCCC21	REAL300020300887	0	48	-1.0	-41.39	355.30	6.25	-35.14
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1C2CCCC21	REAL300020300887	1	48	-1.0	-41.40	355.33	6.26	-35.14
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1C2CCCC21	REAL300020300888	0	45	-1.0	-41.56	339.02	6.60	-34.96
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1C2CCCC21	REAL300020300888	1	45	-1.0	-41.58	339.08	6.62	-34.96
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C1C2CCCC21	REAL300020300889	0	52	-1.0	-40.85	403.84	8.70	-32.15
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C1C2CCCC21	REAL300020300889	1	52	-1.0	-40.81	403.93	8.68	-32.13
C1=CSC(C[C@@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020300890	0	48	-1.0	-41.52	363.08	6.01	-35.51
C1=CSC(C[C@@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020300890	1	48	-1.0	-41.55	363.16	6.02	-35.53
C1=CSC(C[C@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020300891	0	48	-1.0	-51.00	375.62	6.53	-44.47
C1=CSC(C[C@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020300891	1	48	-1.0	-51.03	375.67	6.53	-44.50
C(CC1=NN=C(N2CC3CC2C3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300892	0	42	-1.0	-40.43	328.54	5.23	-35.20
C(CC1=NN=C(N2CC3CC2C3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300892	1	42	-1.0	-40.45	328.60	5.24	-35.21
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CC2C3)N1C1CCOC1	REAL300020300893	0	39	-1.0	-43.61	306.72	4.92	-38.69
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CC2C3)N1C1CCOC1	REAL300020300893	1	39	-1.0	-43.58	306.66	4.90	-38.68
C1=CC(C2=NN=C(N3CC4CC3C4)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020300894	0	46	-1.0	-43.40	354.68	7.72	-35.68
C1=CC(C2=NN=C(N3CC4CC3C4)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020300894	1	46	-1.0	-43.37	354.72	7.72	-35.65
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300895	0	51	-1.0	-41.73	380.31	4.35	-37.38
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300895	1	51	-1.0	-41.75	380.37	4.36	-37.39
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(C)C	REAL300020300896	0	48	-1.0	-42.51	366.83	5.31	-37.20
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(C)C	REAL300020300896	1	48	-1.0	-42.50	366.89	5.35	-37.15
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@H]12	REAL300020300897	0	52	-1.0	-42.01	374.53	4.44	-37.57
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@H]12	REAL300020300897	1	52	-1.0	-41.98	374.58	4.45	-37.53
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@H]12	REAL300020300898	0	49	-1.0	-49.88	358.90	5.01	-44.87
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@H]12	REAL300020300898	1	49	-1.0	-49.88	358.96	5.02	-44.86
COC1=CC2=C(C=C1C)CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020300899	0	52	-1.0	-50.35	392.45	6.21	-44.14
COC1=CC2=C(C=C1C)CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020300899	1	52	-1.0	-50.37	392.50	6.22	-44.15
CC1(N2CCOCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300900	0	54	-1.0	-46.00	386.67	2.33	-43.67
CC1(N2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300900	1	54	-1.0	-45.94	386.73	2.34	-43.60
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300901	0	52	-1.0	-43.10	400.51	5.12	-37.98
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300901	1	52	-1.0	-43.11	400.57	5.14	-37.97
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300902	0	49	-1.0	-51.37	374.02	4.08	-47.29
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300902	1	49	-1.0	-51.38	373.97	4.06	-47.32
FC1(F)C2(CC2)C12CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020300903	0	49	-1.0	-44.95	385.95	8.09	-36.86
FC1(F)C2(CC2)C12CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020300903	1	49	-1.0	-44.94	386.06	8.11	-36.83
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC[C@H]12	REAL300020300904	0	52	-1.0	-45.98	395.15	5.67	-40.31
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC[C@H]12	REAL300020300904	1	52	-1.0	-45.97	395.20	5.68	-40.29
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC[C@H]12	REAL300020300905	0	49	-1.0	-44.14	374.43	4.89	-39.25
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC[C@H]12	REAL300020300905	1	49	-1.0	-44.15	374.52	4.91	-39.24
FC1(F)CC1N1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020300906	0	45	-1.0	-47.09	379.38	7.99	-39.10
FC1(F)CC1N1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020300906	1	45	-1.0	-47.08	379.32	7.98	-39.10
FC1(F)CC1N1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020300907	0	42	-1.0	-48.38	355.25	7.15	-41.23
FC1(F)CC1N1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020300907	1	42	-1.0	-48.34	355.19	7.12	-41.22
N#C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1C1=CC=CC=C1	REAL300020300908	0	49	-1.0	-44.50	373.42	6.43	-38.07
N#C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1C1=CC=CC=C1	REAL300020300908	1	49	-1.0	-44.51	373.49	6.44	-38.07
CC(C)(C)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300909	0	57	-1.0	-41.57	409.82	6.47	-35.10
CC(C)(C)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300909	1	57	-1.0	-41.55	409.88	6.48	-35.07
CC(C)(C)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020300910	0	54	-1.0	-45.70	385.06	5.51	-40.19
CC(C)(C)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020300910	1	54	-1.0	-45.67	385.11	5.53	-40.14
CC12COC(=O)N1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300911	0	50	-1.0	-46.39	379.12	4.08	-42.31
CC12COC(=O)N1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300911	1	50	-1.0	-46.40	379.19	4.08	-42.32
CC12COC(=O)N1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300912	0	47	-1.0	-47.78	358.90	3.58	-44.20
CC12COC(=O)N1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300912	1	47	-1.0	-47.80	358.99	3.58	-44.22
CC1=C(CNC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)OC=C1	REAL300020300913	0	44	-1.0	-41.19	358.93	6.15	-35.04
CC1=C(CNC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)OC=C1	REAL300020300913	1	44	-1.0	-41.15	358.99	6.17	-34.98
CC1=C(CNC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)OC=C1	REAL300020300914	0	41	-1.0	-43.99	340.20	5.51	-38.48
CC1=C(CNC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)OC=C1	REAL300020300914	1	41	-1.0	-44.01	340.14	5.48	-38.53
CC1=C(CNC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)OC=C1	REAL300020300915	0	48	-1.0	-43.00	392.50	8.38	-34.62
CC1=C(CNC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)OC=C1	REAL300020300915	1	48	-1.0	-43.03	392.56	8.37	-34.66
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300916	0	54	-1.0	-41.60	406.12	8.43	-33.17
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300916	1	54	-1.0	-41.56	406.17	8.44	-33.12
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300917	0	51	-1.0	-45.15	385.72	8.13	-37.02
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300917	1	51	-1.0	-45.19	385.68	8.12	-37.07
C(CC1=NN=C(N2CCC3CC2CO3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300918	0	46	-1.0	-39.66	350.66	3.88	-35.78
C(CC1=NN=C(N2CCC3CC2CO3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300918	1	46	-1.0	-39.67	350.72	3.89	-35.78
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CC2CO3)N1C1CCOC1	REAL300020300919	0	43	-1.0	-41.88	326.56	3.17	-38.71
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CC2CO3)N1C1CCOC1	REAL300020300919	1	43	-1.0	-41.87	326.62	3.20	-38.67
C1=CC(C2=NN=C(N3CCC4CC3CO4)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020300920	0	50	-1.0	-41.39	387.81	7.09	-34.30
C1=CC(C2=NN=C(N3CCC4CC3CO4)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020300920	1	50	-1.0	-41.38	387.85	7.08	-34.30
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1F	REAL300020300921	0	44	-1.0	-40.12	330.79	4.79	-35.33
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1F	REAL300020300921	1	44	-1.0	-40.10	330.85	4.81	-35.29
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1F	REAL300020300922	0	41	-1.0	-42.81	315.06	4.46	-38.35
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1F	REAL300020300922	1	41	-1.0	-42.82	315.10	4.46	-38.36
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C[C@@H]1F	REAL300020300923	0	48	-1.0	-44.73	367.24	6.79	-37.94
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C[C@@H]1F	REAL300020300923	1	48	-1.0	-44.68	367.27	6.78	-37.90
N#CC1(C(N)=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300924	0	46	-1.0	-51.54	362.93	0.73	-50.81
N#CC1(C(N)=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300924	1	46	-1.0	-51.51	362.99	0.74	-50.77
N#CC1(C(N)=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300925	0	43	-1.0	-53.88	340.32	0.75	-53.13
N#CC1(C(N)=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300925	1	43	-1.0	-53.89	340.37	0.76	-53.13
C(CC1=NN=C(N2CC34CCCC3(COC4)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300926	0	53	-1.0	-40.79	381.65	4.48	-36.31
C(CC1=NN=C(N2CC34CCCC3(COC4)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300926	1	53	-1.0	-40.82	381.71	4.48	-36.34
C(C1=N[N-]N=N1)C1=NN=C(N2CC34CCCC3(COC4)C2)N1C1CCOC1	REAL300020300927	0	50	-1.0	-45.40	363.44	4.03	-41.37
C(C1=NN=N[N-]1)C1=NN=C(N2CC34CCCC3(COC4)C2)N1C1CCOC1	REAL300020300927	1	50	-1.0	-45.45	363.49	4.04	-41.41
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300928	0	46	-1.0	-42.42	352.30	5.02	-37.40
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300928	1	46	-1.0	-42.43	352.37	5.04	-37.39
C#C[C@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300929	0	43	-1.0	-46.05	331.64	4.39	-41.66
C#C[C@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300929	1	43	-1.0	-46.02	331.58	4.38	-41.64
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300930	0	50	-1.0	-44.26	389.76	7.52	-36.74
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300930	1	50	-1.0	-44.20	389.81	7.51	-36.69
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300931	0	50	-1.0	-41.27	392.60	8.13	-33.14
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300931	1	50	-1.0	-41.22	392.66	8.14	-33.08
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300932	0	47	-1.0	-52.35	365.25	6.61	-45.74
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300932	1	47	-1.0	-52.30	365.20	6.61	-45.69
FC1(F)CC1N1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020300933	0	45	-1.0	-42.94	376.63	6.88	-36.06
FC1(F)CC1N1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020300933	1	45	-1.0	-42.94	376.58	6.87	-36.07
FC1(F)CC1N1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020300934	0	42	-1.0	-45.05	352.40	6.04	-39.01
FC1(F)CC1N1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020300934	1	42	-1.0	-45.08	352.34	6.01	-39.07
N#CC1=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)[N-]C1=O	REAL300020300935	0	45	-2.0	-85.51	370.91	3.06	-82.45
N#CC1=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)[N-]C1=O	REAL300020300935	1	45	-2.0	-85.54	370.97	3.08	-82.46
N#CC1=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)NC1=O	REAL300020300935	1	46	-1.0	-60.00	365.59	3.15	-56.85
N#CC1=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)NC1=O	REAL300020300935	1	46	-1.0	-60.00	365.65	3.16	-56.84
CN(CCCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300936	0	49	-1.0	-50.08	389.39	1.99	-48.09
CN(CCCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300936	1	49	-1.0	-50.12	389.49	1.99	-48.13
CN(CCCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300937	0	46	-1.0	-54.97	372.39	1.83	-53.14
CN(CCCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300937	1	46	-1.0	-54.92	372.44	1.83	-53.09
CN(CCC(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300938	0	43	-1.0	-43.15	338.41	4.69	-38.46
CN(CCC(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300938	1	43	-1.0	-43.17	338.51	4.69	-38.48
CN(CCC(F)F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300939	0	40	-1.0	-46.95	321.41	4.53	-42.42
CN(CCC(F)F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300939	1	40	-1.0	-46.92	321.46	4.54	-42.38
CN(CCC(F)F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300940	0	47	-1.0	-43.17	372.35	8.00	-35.17
CN(CCC(F)F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300940	1	47	-1.0	-43.06	372.06	7.92	-35.14
CN(CC1CC(F)C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300941	0	47	-1.0	-42.79	356.44	5.67	-37.12
CN(CC1CC(F)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300941	1	47	-1.0	-42.77	356.49	5.69	-37.08
CN(CC1CC(F)C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300942	0	44	-1.0	-45.49	341.25	5.49	-40.00
CN(CC1CC(F)C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300942	1	44	-1.0	-45.52	341.32	5.49	-40.03
CN(CC1CC(F)C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300943	0	51	-1.0	-43.06	399.10	8.77	-34.29
CN(CC1CC(F)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300943	1	51	-1.0	-43.00	399.15	8.77	-34.23
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)[C@@H]2C1	REAL300020300944	0	48	-1.0	-51.49	370.75	2.07	-49.42
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)[C@@H]2C1	REAL300020300944	1	48	-1.0	-51.46	370.82	2.07	-49.39
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)[C@@H]2C1	REAL300020300945	0	45	-1.0	-54.71	348.84	2.05	-52.66
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)[C@@H]2C1	REAL300020300945	1	45	-1.0	-54.69	348.89	2.05	-52.64
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300946	0	46	-1.0	-41.42	368.71	3.74	-37.68
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300946	1	46	-1.0	-41.38	368.81	3.74	-37.64
C#CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300947	0	43	-1.0	-46.39	346.85	3.77	-42.62
C#CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300947	1	43	-1.0	-46.39	346.81	3.76	-42.63
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300948	0	50	-1.0	-42.73	401.62	7.64	-35.09
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300948	1	50	-1.0	-42.68	401.67	7.63	-35.05
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1OC	REAL300020300949	0	51	-1.0	-43.42	399.42	5.22	-38.20
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1OC	REAL300020300949	1	51	-1.0	-43.43	399.49	5.23	-38.20
COCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300950	0	51	-1.0	-43.37	384.83	4.06	-39.31
COCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300950	1	51	-1.0	-43.30	384.89	4.07	-39.23
COCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300951	0	48	-1.0	-48.93	360.84	4.35	-44.58
COCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300951	1	48	-1.0	-48.95	360.89	4.36	-44.59
CC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C2CC2)C=C1	REAL300020300952	0	54	-1.0	-42.69	404.04	8.65	-34.04
CC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C2CC2)C=C1	REAL300020300952	1	54	-1.0	-42.72	404.10	8.66	-34.06
CC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C2CC2)C=C1	REAL300020300953	0	51	-1.0	-46.77	389.88	7.05	-39.72
CC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C2CC2)C=C1	REAL300020300953	1	51	-1.0	-46.79	389.84	7.03	-39.76
CN1N=CC=C1CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020300954	0	51	-1.0	-41.60	392.86	6.41	-35.19
CN1N=CC=C1CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020300954	1	51	-1.0	-41.67	392.92	6.43	-35.24
CN1N=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC1	REAL300020300955	0	48	-1.0	-44.09	375.01	5.16	-38.93
CN1N=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC1	REAL300020300955	1	48	-1.0	-44.05	374.95	5.15	-38.90
C1=NOC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020300956	0	44	-1.0	-42.69	344.73	4.92	-37.77
C1=NOC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020300956	1	44	-1.0	-42.67	344.79	4.94	-37.73
C1=NOC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020300957	0	41	-1.0	-44.86	324.13	4.63	-40.23
C1=NOC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020300957	1	41	-1.0	-44.91	324.07	4.61	-40.30
CC1(C)[C@@H]2CC[C@@]1(C)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300958	0	57	-1.0	-43.89	404.13	8.13	-35.76
CC1(C)[C@@H]2CC[C@@]1(C)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300958	1	57	-1.0	-43.92	404.18	8.14	-35.78
CC1(C)[C@@H]2CC[C@@]1(C)CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020300959	0	54	-1.0	-46.29	379.28	7.84	-38.45
CC1(C)[C@@H]2CC[C@@]1(C)CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020300959	1	54	-1.0	-46.31	379.33	7.85	-38.46
CC1(C)CC2=C(C=CO2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300960	0	54	-1.0	-43.47	388.79	7.85	-35.62
CC1(C)CC2=C(C=CO2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300960	1	54	-1.0	-43.48	388.85	7.86	-35.62
CC1(C)CC2=C(C=CO2)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300961	0	51	-1.0	-43.63	380.00	6.90	-36.73
CC1(C)CC2=C(C=CO2)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300961	1	51	-1.0	-43.63	380.06	6.91	-36.72
COC(=O)C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN2C=C1	REAL300020300962	0	49	-1.0	-57.38	381.67	5.36	-52.02
COC(=O)C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN2C=C1	REAL300020300962	1	49	-1.0	-57.38	381.72	5.38	-52.00
ClC1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCN2N=C1	REAL300020300963	0	45	-1.0	-41.35	367.95	4.70	-36.65
ClC1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCN2N=C1	REAL300020300963	1	45	-1.0	-41.39	368.01	4.71	-36.68
ClC1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCN2N=C1	REAL300020300964	0	42	-1.0	-43.64	347.14	4.39	-39.25
ClC1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCN2N=C1	REAL300020300964	1	42	-1.0	-43.64	347.19	4.41	-39.23
COC(=O)C1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300965	0	53	-1.0	-46.50	406.68	6.40	-40.10
COC(=O)C1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300965	1	53	-1.0	-46.46	406.74	6.42	-40.04
COC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300966	0	50	-1.0	-42.57	380.04	5.92	-36.65
COC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300966	1	50	-1.0	-42.56	380.09	5.93	-36.63
FC1(F)CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)CC1	REAL300020300967	0	51	-1.0	-46.60	373.14	6.91	-39.69
FC1(F)CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)CC1	REAL300020300967	1	51	-1.0	-46.58	373.19	6.92	-39.66
COC1=CC=C2C(=C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC2C	REAL300020300968	0	52	-1.0	-53.40	397.24	8.74	-44.66
COC1=CC=C2C(=C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC2C	REAL300020300968	1	52	-1.0	-53.41	397.30	8.75	-44.66
COC1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2C	REAL300020300969	0	49	-1.0	-50.79	369.11	7.93	-42.86
COC1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2C	REAL300020300969	1	49	-1.0	-50.85	369.05	7.93	-42.92
C(CC1=NN=C(N2CCC3CCCCCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300970	0	57	-1.0	-41.86	396.99	7.50	-34.36
C(CC1=NN=C(N2CCC3CCCCCC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300970	1	57	-1.0	-41.86	397.05	7.51	-34.35
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCCCC3C2)N1C1CCOC1	REAL300020300971	0	54	-1.0	-44.10	375.19	6.73	-37.37
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCCCC3C2)N1C1CCOC1	REAL300020300971	1	54	-1.0	-44.07	375.25	6.73	-37.34
CN(CC1CC(F)(F)C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300972	0	47	-1.0	-41.84	363.87	5.79	-36.05
CN(CC1CC(F)(F)C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300972	1	47	-1.0	-41.83	363.93	5.81	-36.02
CN(CC1CC(F)(F)C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300973	0	44	-1.0	-45.99	346.17	5.62	-40.37
CN(CC1CC(F)(F)C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300973	1	44	-1.0	-45.98	346.22	5.64	-40.34
O=C1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2N1	REAL300020300974	0	49	-1.0	-49.30	370.47	2.65	-46.65
O=C1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2N1	REAL300020300974	1	49	-1.0	-49.34	370.53	2.66	-46.68
O=C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2N1	REAL300020300975	0	46	-1.0	-44.25	343.01	1.80	-42.45
O=C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2N1	REAL300020300975	1	46	-1.0	-44.22	343.05	1.81	-42.41
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCC1(F)F	REAL300020300976	0	45	-1.0	-47.42	363.67	5.38	-42.04
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCC1(F)F	REAL300020300976	1	45	-1.0	-47.40	363.72	5.39	-42.01
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCC1(F)F	REAL300020300977	0	42	-1.0	-46.50	344.28	5.34	-41.16
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCC1(F)F	REAL300020300977	1	42	-1.0	-46.51	344.35	5.36	-41.15
O=C1NCC[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@H]12	REAL300020300978	0	52	-1.0	-52.47	384.19	3.50	-48.97
O=C1NCC[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@H]12	REAL300020300978	1	52	-1.0	-52.49	384.25	3.51	-48.98
O=C1NCC[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@H]12	REAL300020300979	0	49	-1.0	-48.22	361.01	2.72	-45.50
O=C1NCC[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@H]12	REAL300020300979	1	49	-1.0	-48.17	361.06	2.73	-45.44
COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1C	REAL300020300980	0	52	-1.0	-42.77	399.88	5.55	-37.22
COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C	REAL300020300980	1	52	-1.0	-42.77	399.95	5.56	-37.21
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1C	REAL300020300981	0	49	-1.0	-48.70	373.62	3.92	-44.78
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C	REAL300020300981	1	49	-1.0	-48.72	373.66	3.92	-44.80
O=C1OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2O1	REAL300020300982	0	46	-1.0	-45.57	358.11	4.37	-41.20
O=C1OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2O1	REAL300020300982	1	46	-1.0	-45.55	358.16	4.39	-41.16
O=C1OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2O1	REAL300020300983	0	43	-1.0	-48.54	332.18	3.31	-45.23
O=C1OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2O1	REAL300020300983	1	43	-1.0	-48.54	332.23	3.31	-45.23
F[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1C1=CC=CC=C1	REAL300020300984	0	51	-1.0	-49.43	391.93	7.69	-41.74
F[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C1=CC=CC=C1	REAL300020300984	1	51	-1.0	-49.42	391.98	7.71	-41.71
F[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1C1=CC=CC=C1	REAL300020300985	0	48	-1.0	-49.03	369.10	7.57	-41.46
F[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C1=CC=CC=C1	REAL300020300985	1	48	-1.0	-49.08	369.19	7.59	-41.49
CCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300986	0	53	-1.0	-43.95	392.63	7.23	-36.72
CCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300986	1	53	-1.0	-43.95	392.69	7.24	-36.71
CCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020300987	0	50	-1.0	-44.87	367.50	6.32	-38.55
CCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020300987	1	50	-1.0	-44.88	367.57	6.33	-38.55
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(F)(F)C1	REAL300020300988	0	47	-1.0	-46.25	370.40	5.23	-41.02
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(F)(F)C1	REAL300020300988	1	47	-1.0	-46.24	370.44	5.23	-41.01
C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=NO1	REAL300020300989	0	41	-1.0	-45.29	325.47	3.68	-41.61
C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=NO1	REAL300020300989	1	41	-1.0	-45.25	325.53	3.69	-41.56
C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=NO1	REAL300020300990	0	38	-1.0	-47.57	302.29	3.19	-44.38
C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=NO1	REAL300020300990	1	38	-1.0	-47.55	302.23	3.18	-44.37
C1=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3C3CCOC3)CC2=NO1	REAL300020300991	0	45	-1.0	-43.53	371.07	6.31	-37.22
C1=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3C3CCOC3)CC2=NO1	REAL300020300991	1	45	-1.0	-43.52	371.12	6.32	-37.20
CC1CC(C(N)=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300992	0	51	-1.0	-49.90	388.58	2.44	-47.46
CC1CC(C(N)=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300992	1	51	-1.0	-49.89	388.63	2.45	-47.44
CC1CC(C(N)=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020300993	0	48	-1.0	-45.15	365.66	1.66	-43.49
CC1CC(C(N)=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020300993	1	48	-1.0	-45.15	365.71	1.67	-43.48
C(CC1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1C1CCOC1)C1=N[N-]N=N1	REAL300020300994	0	48	-1.0	-41.75	357.09	7.44	-34.31
C(CC1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1C1CCOC1)C1=NN=N[N-]1	REAL300020300994	1	48	-1.0	-41.76	357.15	7.45	-34.31
C(C1=N[N-]N=N1)C1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1C1CCOC1	REAL300020300995	0	45	-1.0	-42.25	327.88	5.61	-36.64
C(C1=NN=N[N-]1)C1=NN=C(N2CCC[C@@H]3CC[C@@H]32)N1C1CCOC1	REAL300020300995	1	45	-1.0	-42.20	327.92	5.61	-36.59
C1=CC(C2=NN=C(N3CCC[C@@H]4CC[C@@H]43)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020300996	0	52	-1.0	-44.85	388.68	8.70	-36.15
C1=CC(C2=NN=C(N3CCC[C@@H]4CC[C@@H]43)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020300996	1	52	-1.0	-44.85	388.73	8.68	-36.17
CC12CCC(CC1)N2C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020300997	0	48	-1.0	-42.25	344.54	4.99	-37.26
CC12CCC(CC1)N2C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020300997	1	48	-1.0	-42.25	344.62	4.99	-37.26
CC12CCC(CC1)N2C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020300998	0	45	-1.0	-43.82	339.40	5.17	-38.65
CC12CCC(CC1)N2C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020300998	1	45	-1.0	-43.81	339.35	5.15	-38.66
CC12CCC(CC1)N2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020300999	0	52	-1.0	-41.25	395.47	8.60	-32.65
CC12CCC(CC1)N2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020300999	1	52	-1.0	-41.18	395.52	8.59	-32.59
C1=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)=NC=N1	REAL300020301000	0	51	-1.0	-46.89	393.78	5.43	-41.46
C1=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)=NC=N1	REAL300020301000	1	51	-1.0	-46.92	393.72	5.41	-41.51
C1=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=NC=N1	REAL300020301001	0	48	-1.0	-45.70	366.38	4.38	-41.32
C1=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=NC=N1	REAL300020301001	1	48	-1.0	-42.97	373.95	5.53	-37.44
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1F	REAL300020301002	0	47	-1.0	-41.16	348.91	5.63	-35.53
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1F	REAL300020301002	1	47	-1.0	-41.20	348.97	5.64	-35.56
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1F	REAL300020301003	0	44	-1.0	-46.43	332.38	4.97	-41.46
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1F	REAL300020301003	1	44	-1.0	-46.42	332.45	4.98	-41.44
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C[C@@H]1F	REAL300020301004	0	51	-1.0	-40.81	391.06	8.77	-32.04
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C[C@@H]1F	REAL300020301004	1	51	-1.0	-40.80	390.58	8.83	-31.97
CC1=NN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)O1	REAL300020301005	0	49	-1.0	-47.19	375.28	0.93	-46.26
CC1=NN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)O1	REAL300020301005	1	49	-1.0	-47.19	375.34	0.93	-46.26
O=C1CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)N1	REAL300020301006	0	52	-1.0	-48.82	390.07	4.63	-44.19
O=C1CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)N1	REAL300020301006	1	52	-1.0	-48.84	390.13	4.64	-44.20
O=C1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)N1	REAL300020301007	0	49	-1.0	-50.46	374.66	4.22	-46.24
O=C1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)N1	REAL300020301007	1	49	-1.0	-50.48	374.72	4.25	-46.23
FC(F)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301008	0	50	-1.0	-46.13	380.85	6.66	-39.47
FC(F)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301008	1	50	-1.0	-46.12	380.90	6.68	-39.44
FC(F)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301009	0	47	-1.0	-43.45	360.02	6.73	-36.72
FC(F)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301009	1	47	-1.0	-43.44	360.07	6.75	-36.69
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301010	0	52	-1.0	-45.70	399.91	5.80	-39.90
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301010	1	52	-1.0	-45.69	399.97	5.81	-39.88
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1O	REAL300020301011	0	48	-1.0	-45.35	356.20	2.17	-43.18
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1O	REAL300020301011	1	48	-1.0	-45.38	356.26	2.18	-43.20
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1O	REAL300020301012	0	45	-1.0	-44.61	343.53	2.04	-42.57
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1O	REAL300020301012	1	45	-1.0	-44.63	343.58	2.06	-42.57
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C[C@@H]1O	REAL300020301013	0	52	-1.0	-42.03	392.79	4.69	-37.34
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C[C@@H]1O	REAL300020301013	1	52	-1.0	-42.03	392.83	4.69	-37.34
OC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2(CCCC2)C1	REAL300020301014	0	55	-1.0	-41.20	395.63	3.62	-37.58
OC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2(CCCC2)C1	REAL300020301014	1	55	-1.0	-41.20	395.68	3.64	-37.56
OC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2(CCCC2)C1	REAL300020301015	0	52	-1.0	-44.66	376.12	3.17	-41.49
OC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2(CCCC2)C1	REAL300020301015	1	52	-1.0	-44.70	376.17	3.17	-41.53
C1=CC2=C3C(=C1)CN(C1=NN=C(CC4=NN=N[N-]4)N1C1CCOC1)CC3CCC2	REAL300020301016	0	52	-1.0	-46.92	387.39	8.84	-38.08
C1=CC2=C3C(=C1)CN(C1=NN=C(CC4=N[N-]N=N4)N1C1CCOC1)CC3CCC2	REAL300020301016	1	52	-1.0	-46.87	387.32	8.83	-38.04
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCC2(CC1)OCCO2	REAL300020301017	0	53	-1.0	-47.12	392.66	4.12	-43.00
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCC2(CC1)OCCO2	REAL300020301017	1	53	-1.0	-47.08	392.71	4.14	-42.94
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C(C)C1CCC1	REAL300020301018	0	53	-1.0	-42.56	378.86	5.58	-36.98
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C(C)C1CCC1	REAL300020301018	1	53	-1.0	-42.54	378.93	5.59	-36.95
CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C(C)C1CCC1	REAL300020301019	0	50	-1.0	-45.68	358.12	6.82	-38.86
CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C(C)C1CCC1	REAL300020301019	1	50	-1.0	-45.67	358.15	6.82	-38.85
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301020	0	52	-1.0	-45.70	399.91	5.80	-39.90
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301020	1	52	-1.0	-45.69	399.97	5.81	-39.88
ClC1=C(Cl)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301021	0	42	-1.0	-39.84	354.35	5.93	-33.91
ClC1=C(Cl)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301021	1	42	-1.0	-39.91	354.40	5.94	-33.97
ClC1=C(Cl)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301022	0	39	-1.0	-42.46	333.68	5.64	-36.82
ClC1=C(Cl)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301022	1	39	-1.0	-42.45	333.74	5.66	-36.79
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301023	0	50	-1.0	-40.03	390.83	6.84	-33.19
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301023	1	50	-1.0	-39.98	390.88	6.84	-33.14
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301024	0	47	-1.0	-41.62	372.05	6.46	-35.16
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301024	1	47	-1.0	-41.60	371.98	6.43	-35.17
C(CC1=NN=C(N2CCCC23CC3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301025	0	45	-1.0	-40.76	347.38	5.61	-35.15
C(CC1=NN=C(N2CCCC23CC3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301025	1	45	-1.0	-40.75	347.44	5.63	-35.12
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC23CC3)N1C1CCOC1	REAL300020301026	0	42	-1.0	-46.03	325.24	4.00	-42.03
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC23CC3)N1C1CCOC1	REAL300020301026	1	42	-1.0	-46.06	325.19	3.99	-42.07
C1=CC(C2=NN=C(N3CCCC34CC4)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020301027	0	49	-1.0	-45.37	379.25	7.15	-38.22
C1=CC(C2=NN=C(N3CCCC34CC4)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020301027	1	49	-1.0	-45.33	379.29	7.14	-38.19
C(CC1=NN=C(N2CCC3(CCSC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301028	0	49	-1.0	-41.58	361.22	5.28	-36.30
C(CC1=NN=C(N2CCC3(CCSC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301028	1	49	-1.0	-41.53	361.29	5.30	-36.23
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CCSC3)C2)N1C1CCOC1	REAL300020301029	0	46	-1.0	-50.50	349.13	5.75	-44.75
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CCSC3)C2)N1C1CCOC1	REAL300020301029	1	46	-1.0	-50.51	349.20	5.76	-44.75
O=C1CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)N1	REAL300020301030	0	49	-1.0	-48.67	374.11	2.55	-46.12
O=C1CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)N1	REAL300020301030	1	49	-1.0	-48.64	374.17	2.57	-46.07
O=C1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)N1	REAL300020301031	0	46	-1.0	-44.36	351.32	2.43	-41.93
O=C1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)N1	REAL300020301031	1	46	-1.0	-44.33	351.39	2.45	-41.88
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@H](C)C1(F)F	REAL300020301032	0	50	-1.0	-41.57	379.95	6.16	-35.41
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)C1(F)F	REAL300020301032	1	50	-1.0	-41.53	380.01	6.17	-35.36
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H](C)C1(F)F	REAL300020301033	0	47	-1.0	-45.41	360.98	6.02	-39.39
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H](C)C1(F)F	REAL300020301033	1	47	-1.0	-45.42	361.03	6.03	-39.39
C(CC1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301034	0	44	-1.0	-47.45	338.60	2.22	-45.23
C(CC1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301034	1	44	-1.0	-47.49	338.66	2.24	-45.25
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1C1CCOC1	REAL300020301035	0	41	-1.0	-47.51	313.49	1.24	-46.27
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3OCO[C@H]3C2)N1C1CCOC1	REAL300020301035	1	41	-1.0	-47.54	313.54	1.24	-46.30
C1=CC(C2=NN=C(N3C[C@H]4OCO[C@H]4C3)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020301036	0	48	-1.0	-47.51	372.03	5.49	-42.02
C1=CC(C2=NN=C(N3C[C@H]4OCO[C@H]4C3)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020301036	1	48	-1.0	-47.42	372.10	5.48	-41.94
CN(CC1=NN=NN1C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301037	0	45	-1.0	-43.17	357.54	2.63	-40.54
CN(CC1=NN=NN1C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301037	1	45	-1.0	-43.16	357.60	2.64	-40.52
CN(CC1=NN=NN1C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301038	0	42	-1.0	-47.91	331.20	2.28	-45.63
CN(CC1=NN=NN1C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301038	1	42	-1.0	-47.89	331.13	2.27	-45.62
CN(CCOC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301039	0	48	-1.0	-39.58	365.23	4.93	-34.65
CN(CCOC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301039	1	48	-1.0	-39.62	365.29	4.94	-34.68
CN(CCOC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301040	0	45	-1.0	-43.78	349.41	4.59	-39.19
CN(CCOC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301040	1	45	-1.0	-43.77	349.47	4.60	-39.17
CN(CCOC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301041	0	52	-1.0	-40.91	410.32	8.11	-32.80
CN(CCOC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301041	1	52	-1.0	-40.82	410.37	8.10	-32.72
CC(C)(C)OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301042	0	57	-1.0	-43.66	421.82	6.35	-37.31
CC(C)(C)OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301042	1	57	-1.0	-43.66	421.88	6.37	-37.29
CC(C)(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301043	0	54	-1.0	-44.85	393.40	5.34	-39.51
CC(C)(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301043	1	54	-1.0	-44.84	393.45	5.35	-39.49
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1O	REAL300020301044	0	51	-1.0	-51.80	397.33	2.13	-49.67
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1O	REAL300020301044	1	51	-1.0	-51.83	397.39	2.16	-49.67
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1O	REAL300020301045	0	48	-1.0	-48.99	373.82	1.69	-47.30
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1O	REAL300020301045	1	48	-1.0	-48.99	373.88	1.69	-47.30
CC1=CC=C(C2(O)CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020301046	0	52	-1.0	-48.83	389.22	3.78	-45.05
CC1=CC=C(C2(O)CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020301046	1	52	-1.0	-48.83	389.27	3.80	-45.03
COC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020301047	0	48	-1.0	-41.56	372.07	5.76	-35.80
COC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020301047	1	48	-1.0	-41.59	372.13	5.78	-35.81
COC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020301048	0	45	-1.0	-46.55	353.38	6.23	-40.32
COC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020301048	1	45	-1.0	-46.55	353.33	6.22	-40.33
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301049	0	46	-1.0	-41.79	380.94	6.57	-35.22
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301049	1	46	-1.0	-41.82	381.00	6.58	-35.24
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301050	0	43	-1.0	-45.93	358.62	5.15	-40.78
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301050	1	43	-1.0	-45.95	358.67	5.16	-40.79
CC(C)(C)OC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301051	0	57	-1.0	-43.48	415.40	5.98	-37.50
CC(C)(C)OC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301051	1	57	-1.0	-43.49	415.46	5.97	-37.52
CC(C)(C)OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301052	0	54	-1.0	-41.89	399.11	6.34	-35.55
CC(C)(C)OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301052	1	54	-1.0	-41.85	399.17	6.37	-35.48
CC1(C)C2CCC13CCN(C1=NN=C(CCC4=N[N-]N=N4)N1C1CCOC1)C3C2	REAL300020301053	0	58	-1.0	-42.49	408.54	9.21	-33.28
CC1(C)C2CCC13CCN(C1=NN=C(CCC4=NN=N[N-]4)N1C1CCOC1)C3C2	REAL300020301053	1	58	-1.0	-42.53	408.60	9.22	-33.31
CC1(C)C2CCC13CCN(C1=NN=C(CC4=N[N-]N=N4)N1C1CCOC1)C3C2	REAL300020301054	0	55	-1.0	-44.41	386.07	8.57	-35.84
CC1(C)C2CCC13CCN(C1=NN=C(CC4=NN=N[N-]4)N1C1CCOC1)C3C2	REAL300020301054	1	55	-1.0	-44.40	386.15	8.58	-35.82
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301055	0	45	-1.0	-54.38	339.62	5.17	-49.21
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301055	1	45	-1.0	-54.42	339.68	5.18	-49.24
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301056	0	42	-1.0	-47.09	326.80	4.60	-42.49
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301056	1	42	-1.0	-47.08	326.84	4.62	-42.46
N#CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020301057	0	49	-1.0	-47.02	389.41	8.44	-38.58
N#CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020301057	1	49	-1.0	-46.97	389.45	8.44	-38.53
FC1(F)CC1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301058	0	51	-1.0	-48.23	394.01	7.39	-40.84
FC1(F)CC1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301058	1	51	-1.0	-48.22	394.06	7.40	-40.82
FC1(F)CC1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301059	0	48	-1.0	-43.89	366.91	6.65	-37.24
FC1(F)CC1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301059	1	48	-1.0	-43.89	366.96	6.66	-37.23
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301060	0	54	-1.0	-47.78	409.65	5.60	-42.18
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301060	1	54	-1.0	-47.79	409.71	5.62	-42.17
CCCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301061	0	52	-1.0	-40.95	384.59	6.73	-34.22
CCCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301061	1	52	-1.0	-40.92	384.65	6.74	-34.18
CCCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301062	0	49	-1.0	-45.11	363.87	6.82	-38.29
CCCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301062	1	49	-1.0	-45.07	363.92	6.84	-38.23
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301063	0	56	-1.0	-40.18	423.94	9.89	-30.29
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301063	1	56	-1.0	-40.16	423.97	9.89	-30.27
F[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1C1=CC=CC=C1	REAL300020301064	0	51	-1.0	-49.43	391.93	7.69	-41.74
F[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C1=CC=CC=C1	REAL300020301064	1	51	-1.0	-49.42	391.98	7.71	-41.71
F[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]1C1=CC=CC=C1	REAL300020301065	0	48	-1.0	-49.03	369.10	7.57	-41.46
F[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]1C1=CC=CC=C1	REAL300020301065	1	48	-1.0	-49.08	369.19	7.59	-41.49
O=C1NCCC1N1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020301066	0	49	-1.0	-48.43	397.92	4.60	-43.83
O=C1NCCC1N1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020301066	1	49	-1.0	-48.43	397.87	4.59	-43.84
O=C1NCCC1N1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020301067	0	46	-1.0	-49.58	373.65	3.76	-45.82
O=C1NCCC1N1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020301067	1	46	-1.0	-49.59	373.60	3.74	-45.85
C#CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301068	0	50	-1.0	-45.04	393.75	5.59	-39.45
C#CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301068	1	50	-1.0	-45.06	393.80	5.61	-39.45
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301069	0	47	-1.0	-46.94	373.98	5.05	-41.89
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301069	1	47	-1.0	-46.94	374.04	5.07	-41.87
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCSCC1	REAL300020301070	0	48	-1.0	-42.85	362.80	5.48	-37.37
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCSCC1	REAL300020301070	1	48	-1.0	-42.86	362.86	5.51	-37.35
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCSCC1	REAL300020301071	0	45	-1.0	-42.20	347.33	5.90	-36.30
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCSCC1	REAL300020301071	1	45	-1.0	-42.19	347.39	5.93	-36.26
O=C1NCCC1N1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020301072	0	49	-1.0	-49.16	398.15	3.62	-45.54
O=C1NCCC1N1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020301072	1	49	-1.0	-49.18	398.09	3.60	-45.58
O=C1NCCC1N1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020301073	0	46	-1.0	-51.34	373.94	2.77	-48.57
O=C1NCCC1N1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020301073	1	46	-1.0	-51.35	373.89	2.75	-48.60
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301074	0	56	-1.0	-41.27	423.44	8.90	-32.37
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301074	1	56	-1.0	-41.28	423.51	8.93	-32.35
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301075	0	53	-1.0	-41.25	404.50	9.33	-31.92
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301075	1	53	-1.0	-41.27	404.55	9.34	-31.93
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301076	0	47	-1.0	-46.44	378.69	6.72	-39.72
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301076	1	47	-1.0	-46.43	378.74	6.73	-39.70
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301077	0	44	-1.0	-46.69	353.52	6.42	-40.27
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301077	1	44	-1.0	-46.68	353.57	6.44	-40.24
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCC(C(F)F)CC1	REAL300020301078	0	53	-1.0	-41.16	387.09	6.83	-34.33
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCC(C(F)F)CC1	REAL300020301078	1	53	-1.0	-41.15	387.15	6.85	-34.30
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCC(C(F)F)CC1	REAL300020301079	0	50	-1.0	-45.15	372.39	7.19	-37.96
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCC(C(F)F)CC1	REAL300020301079	1	50	-1.0	-45.16	372.43	7.20	-37.96
COC(=O)C1(CF)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301080	0	50	-1.0	-48.06	389.05	6.30	-41.76
COC(=O)C1(CF)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301080	1	50	-1.0	-48.00	389.10	6.31	-41.69
COC(=O)C1(CF)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301081	0	47	-1.0	-46.32	363.24	5.29	-41.03
COC(=O)C1(CF)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301081	1	47	-1.0	-46.37	363.29	5.30	-41.07
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020301082	0	47	-1.0	-44.64	375.97	4.59	-40.05
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020301082	1	47	-1.0	-44.72	376.02	4.61	-40.11
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1=O	REAL300020301083	0	44	-1.0	-47.61	355.18	4.32	-43.29
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1=O	REAL300020301083	1	44	-1.0	-47.57	355.24	4.33	-43.24
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301084	0	45	-1.0	-44.37	341.17	4.15	-40.22
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301084	1	45	-1.0	-44.34	341.22	4.16	-40.18
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301085	0	42	-1.0	-46.07	318.12	2.64	-43.43
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301085	1	42	-1.0	-46.05	318.16	2.65	-43.40
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020301086	0	49	-1.0	-41.65	387.45	6.52	-35.13
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020301086	1	49	-1.0	-41.66	387.49	6.51	-35.15
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301087	0	52	-1.0	-45.99	405.17	6.09	-39.90
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301087	1	52	-1.0	-46.02	405.09	6.08	-39.94
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020301088	0	48	-1.0	-40.36	372.40	7.83	-32.53
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020301088	1	48	-1.0	-40.38	372.46	7.85	-32.53
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2=C1	REAL300020301089	0	45	-1.0	-42.88	350.02	6.85	-36.03
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2=C1	REAL300020301089	1	45	-1.0	-42.88	349.96	6.82	-36.06
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301090	0	48	-1.0	-50.29	360.75	4.33	-45.96
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301090	1	48	-1.0	-50.29	360.80	4.34	-45.95
CC1CN2N=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301091	0	45	-1.0	-47.15	332.54	3.56	-43.59
CC1CN2N=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301091	1	45	-1.0	-47.13	332.49	3.54	-43.59
FC(F)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301092	0	50	-1.0	-44.59	375.13	5.83	-38.76
FC(F)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301092	1	50	-1.0	-44.57	375.18	5.84	-38.73
FC(F)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301093	0	47	-1.0	-42.19	364.04	6.78	-35.41
FC(F)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301093	1	47	-1.0	-42.16	364.10	6.80	-35.36
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301094	0	54	-1.0	-44.79	400.23	8.25	-36.54
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301094	1	54	-1.0	-44.77	400.27	8.26	-36.51
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@@H]2CCO[C@@H]21	REAL300020301095	0	55	-1.0	-41.40	373.67	6.74	-34.66
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@@H]2CCO[C@@H]21	REAL300020301095	1	55	-1.0	-41.38	373.72	6.74	-34.64
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301096	0	51	-1.0	-43.86	380.19	5.42	-38.44
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301096	1	51	-1.0	-43.84	380.25	5.44	-38.40
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301097	0	48	-1.0	-44.40	357.96	4.42	-39.98
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301097	1	48	-1.0	-44.41	358.01	4.42	-39.99
C(CC1=NN=C(N2CCCC3(CCC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301098	0	54	-1.0	-44.71	382.39	7.23	-37.48
C(CC1=NN=C(N2CCCC3(CCC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301098	1	54	-1.0	-44.77	382.44	7.25	-37.52
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCC3)CC2)N1C1CCOC1	REAL300020301099	0	51	-1.0	-40.45	359.55	6.70	-33.75
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCC3)CC2)N1C1CCOC1	REAL300020301099	1	51	-1.0	-40.46	359.61	6.70	-33.76
COC1=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=CC=C1C	REAL300020301100	0	48	-1.0	-42.00	383.74	7.38	-34.62
COC1=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=CC=C1C	REAL300020301100	1	48	-1.0	-41.97	383.68	7.37	-34.60
COC1=CC(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=CC=C1C	REAL300020301101	0	45	-1.0	-43.77	362.16	6.67	-37.10
COC1=CC(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=CC=C1C	REAL300020301101	1	45	-1.0	-43.73	362.11	6.64	-37.09
O=C1C=CC2=C(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)N1	REAL300020301102	0	48	-1.0	-46.66	369.34	3.84	-42.82
O=C1C=CC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)N1	REAL300020301102	1	48	-1.0	-46.64	369.41	3.86	-42.78
O=C1C=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)N1	REAL300020301103	0	45	-1.0	-55.52	345.26	2.74	-52.78
O=C1C=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)N1	REAL300020301103	1	45	-1.0	-55.48	345.21	2.73	-52.75
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1(F)F	REAL300020301104	0	48	-1.0	-44.07	383.01	6.14	-37.93
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(F)F	REAL300020301104	1	48	-1.0	-44.06	383.07	6.16	-37.90
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(F)F	REAL300020301105	0	45	-1.0	-49.17	361.21	6.12	-43.05
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(F)F	REAL300020301105	1	45	-1.0	-49.17	361.26	6.14	-43.03
C1=CC=C2C(=C1)CCC21CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301106	0	52	-1.0	-44.43	390.17	8.50	-35.93
C1=CC=C2C(=C1)CCC21CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301106	1	52	-1.0	-44.43	390.22	8.52	-35.91
CC1(C)C[C@H]2OCC[C@H]2CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301107	0	55	-1.0	-50.03	372.74	5.97	-44.06
CC1(C)C[C@H]2OCC[C@H]2CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301107	1	55	-1.0	-49.99	372.80	5.99	-44.00
O=C1CCCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2N1	REAL300020301108	0	52	-1.0	-48.61	379.94	2.42	-46.19
O=C1CCCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2N1	REAL300020301108	1	52	-1.0	-48.63	379.99	2.42	-46.21
O=C1CCCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2N1	REAL300020301109	0	49	-1.0	-47.54	357.66	2.49	-45.05
O=C1CCCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2N1	REAL300020301109	1	49	-1.0	-47.54	357.72	2.50	-45.04
CCC=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301110	0	48	-1.0	-40.94	365.38	7.07	-33.87
CCC=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301110	1	48	-1.0	-40.93	365.44	7.09	-33.84
CCC=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301111	0	45	-1.0	-45.70	340.00	6.10	-39.60
CCC=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301111	1	45	-1.0	-45.67	339.95	6.10	-39.57
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020301112	0	52	-1.0	-40.32	412.41	8.60	-31.72
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020301112	1	52	-1.0	-40.29	412.43	8.59	-31.70
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301113	0	49	-1.0	-48.61	386.05	0.10	-48.51
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301113	1	49	-1.0	-48.65	386.11	0.11	-48.54
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301114	0	46	-1.0	-54.46	365.67	-0.11	-54.57
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301114	1	46	-1.0	-54.40	365.76	-0.10	-54.50
OCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301115	0	51	-1.0	-46.01	382.55	3.11	-42.90
OCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301115	1	51	-1.0	-46.00	382.61	3.12	-42.88
OCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301116	0	48	-1.0	-43.17	360.90	3.16	-40.01
OCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301116	1	48	-1.0	-43.14	360.95	3.18	-39.96
FC(F)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301117	0	47	-1.0	-43.41	358.45	5.72	-37.69
FC(F)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301117	1	47	-1.0	-43.41	358.51	5.74	-37.67
FC(F)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301118	0	44	-1.0	-51.69	341.26	5.42	-46.27
FC(F)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301118	1	44	-1.0	-51.70	341.34	5.43	-46.27
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301119	0	54	0.0	-72.75	389.29	7.46	-65.29
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301119	1	54	0.0	-69.44	387.97	5.96	-63.48
C=CCN1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301119	1	53	-1.0	-45.58	390.83	4.67	-40.91
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301120	0	51	0.0	-68.90	371.47	6.75	-62.15
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301120	1	51	0.0	-70.80	363.55	6.58	-64.22
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301120	1	51	0.0	-68.92	371.52	6.75	-62.17
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301120	1	51	0.0	-70.82	363.59	6.60	-64.22
C#CCN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020301121	0	43	-1.0	-48.53	354.06	6.37	-42.16
C#CCN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020301121	1	43	-1.0	-48.55	354.00	6.35	-42.20
C#CCN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020301122	0	40	-1.0	-49.74	339.59	5.78	-43.96
C#CCN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020301122	1	40	-1.0	-49.74	339.53	5.76	-43.98
C[NH+]1CC23CCCC2(CN(C2=NN=C(CCC4=N[N-]N=N4)N2C2CCOC2)C3)C1	REAL300020301123	0	58	0.0	-73.93	413.20	7.59	-66.34
C[NH+]1CC23CCCC2(CN(C2=NN=C(CCC4=NN=N[N-]4)N2C2CCOC2)C3)C1	REAL300020301123	1	58	0.0	-73.97	413.25	7.60	-66.37
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=N[N-]N=N4)N2C2CCOC2)C3)C1	REAL300020301124	0	55	0.0	-74.30	387.72	6.65	-67.65
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=NN=N[N-]4)N2C2CCOC2)C3)C1	REAL300020301124	1	55	0.0	-74.30	387.77	6.66	-67.64
CC1CC2(CCCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301125	0	54	-1.0	-39.74	386.36	6.87	-32.87
CC1CC2(CCCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301125	1	54	-1.0	-39.81	386.45	6.88	-32.93
CC1CC2(CCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301126	0	51	-1.0	-42.96	364.10	5.69	-37.27
CC1CC2(CCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301126	1	51	-1.0	-42.92	364.13	5.70	-37.22
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CCOC1	REAL300020301127	0	48	-1.0	-41.69	356.25	3.61	-38.08
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CCOC1	REAL300020301127	1	48	-1.0	-41.69	356.31	3.63	-38.06
CCN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CCOC1	REAL300020301128	0	45	-1.0	-45.51	330.78	1.96	-43.55
CCN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CCOC1	REAL300020301128	1	45	-1.0	-45.53	330.85	1.98	-43.55
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C1CCOC1	REAL300020301129	0	52	-1.0	-42.76	397.08	7.26	-35.50
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C1CCOC1	REAL300020301129	1	52	-1.0	-42.73	397.10	7.25	-35.48
CC12CCCC1N(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CCC2	REAL300020301130	0	54	-1.0	-42.25	383.41	7.82	-34.43
CC12CCCC1N(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CCC2	REAL300020301130	1	54	-1.0	-42.25	383.47	7.85	-34.40
CC12CCCC1N(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CCC2	REAL300020301131	0	51	-1.0	-46.54	362.68	6.69	-39.85
CC12CCCC1N(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CCC2	REAL300020301131	1	51	-1.0	-46.51	363.01	6.70	-39.81
N#CC1(CO)CC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020301132	0	53	-1.0	-52.86	411.80	4.02	-48.84
N#CC1(CO)CC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020301132	1	53	-1.0	-52.87	411.86	4.04	-48.83
N#CC1(CO)CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020301133	0	50	-1.0	-47.44	383.23	3.16	-44.28
N#CC1(CO)CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020301133	1	50	-1.0	-47.44	383.29	3.17	-44.27
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020301134	0	54	-1.0	-42.15	413.17	9.68	-32.47
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020301134	1	54	-1.0	-42.18	413.23	9.69	-32.49
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020301135	0	51	-1.0	-47.46	390.81	8.37	-39.09
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020301135	1	51	-1.0	-47.46	390.86	8.39	-39.07
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301136	0	47	-1.0	-44.50	386.78	4.96	-39.54
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301136	1	47	-1.0	-44.53	386.84	4.97	-39.56
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301137	0	44	-1.0	-49.09	363.30	4.57	-44.52
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301137	1	44	-1.0	-49.11	363.36	4.59	-44.52
CCN(CCOCCOC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301138	0	54	-1.0	-42.47	407.75	3.31	-39.16
CCN(CCOCCOC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301138	1	54	-1.0	-42.44	407.79	3.31	-39.13
CCN(CCOCCOC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301139	0	51	-1.0	-48.05	385.30	3.33	-44.72
CCN(CCOCCOC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301139	1	51	-1.0	-48.03	385.35	3.33	-44.70
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301140	0	49	-1.0	-50.06	381.62	5.57	-44.49
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301140	1	49	-1.0	-50.02	381.67	5.57	-44.45
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301141	0	56	-1.0	-40.29	408.42	5.21	-35.08
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301141	1	56	-1.0	-40.27	408.48	5.22	-35.05
CCN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301142	0	53	-1.0	-46.02	386.01	5.24	-40.78
CCN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301142	1	53	-1.0	-46.06	386.06	5.24	-40.82
C=CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301143	0	48	-1.0	-41.47	365.35	7.18	-34.29
C=CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301143	1	48	-1.0	-41.45	365.41	7.19	-34.26
C=CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301144	0	45	-1.0	-41.07	345.62	6.51	-34.56
C=CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301144	1	45	-1.0	-41.05	345.56	6.48	-34.57
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020301145	0	52	-1.0	-41.33	393.06	9.34	-31.99
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020301145	1	52	-1.0	-41.35	393.11	9.34	-32.01
C(C1=N[N-]N=N1)C1=NN=C(N2CC3(CCC3)OC3(CCC3)C2)N1C1CCOC1	REAL300020301146	0	53	-1.0	-41.69	388.58	6.59	-35.10
C(C1=NN=N[N-]1)C1=NN=C(N2CC3(CCC3)OC3(CCC3)C2)N1C1CCOC1	REAL300020301146	1	53	-1.0	-41.70	388.64	6.63	-35.07
CC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(C)O1	REAL300020301147	0	54	-1.0	-44.11	387.33	5.13	-38.98
CC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(C)O1	REAL300020301147	1	54	-1.0	-44.08	387.38	5.15	-38.93
CC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C)O1	REAL300020301148	0	51	-1.0	-46.91	364.77	5.46	-41.45
CC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C)O1	REAL300020301148	1	51	-1.0	-46.92	364.81	5.47	-41.45
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2(CC2)N1	REAL300020301149	0	46	-1.0	-42.35	360.23	2.44	-39.91
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2(CC2)N1	REAL300020301149	1	46	-1.0	-42.34	360.29	2.46	-39.88
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2(CC2)N1	REAL300020301150	0	43	-1.0	-44.86	339.79	2.19	-42.67
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2(CC2)N1	REAL300020301150	1	43	-1.0	-44.89	339.73	2.17	-42.72
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCN1C1CC1	REAL300020301151	0	53	-1.0	-41.04	381.55	3.67	-37.37
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC[N@@H+]1C1CC1	REAL300020301151	1	54	0.0	-68.57	394.94	7.68	-60.89
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC[N@H+]1C1CC1	REAL300020301151	1	54	0.0	-66.47	389.65	6.78	-59.69
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCN1C1CC1	REAL300020301151	1	53	-1.0	-41.03	381.60	3.67	-37.36
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCN1C1CC1	REAL300020301152	0	50	-1.0	-46.11	368.45	4.37	-41.74
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[N@@H+]1C1CC1	REAL300020301152	1	51	0.0	-61.42	377.51	6.07	-55.35
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[N@H+]1C1CC1	REAL300020301152	1	51	0.0	-66.45	368.56	6.15	-60.30
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCN1C1CC1	REAL300020301152	1	50	-1.0	-46.12	368.50	4.37	-41.75
CC1(C)CC2(CO1)CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CCO2	REAL300020301153	0	53	-1.0	-44.13	387.26	3.09	-41.04
CC1(C)CC2(CO1)CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CCO2	REAL300020301153	1	53	-1.0	-44.12	387.31	3.10	-41.02
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301154	0	47	-1.0	-44.04	366.90	6.50	-37.54
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301154	1	47	-1.0	-44.01	366.97	6.51	-37.50
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301155	0	44	-1.0	-46.90	345.43	4.33	-42.57
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301155	1	44	-1.0	-46.92	345.49	4.33	-42.59
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCC1(F)F	REAL300020301156	0	50	-1.0	-44.21	368.89	6.51	-37.70
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCC1(F)F	REAL300020301156	1	50	-1.0	-44.22	368.95	6.53	-37.69
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCC1(F)F	REAL300020301157	0	47	-1.0	-42.87	343.89	5.77	-37.10
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCC1(F)F	REAL300020301157	1	47	-1.0	-42.94	343.95	5.78	-37.16
CC1CC(C2CCCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301158	0	57	-1.0	-42.71	405.56	7.13	-35.58
CC1CC(C2CCCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301158	1	57	-1.0	-42.68	405.59	7.13	-35.55
CC1N(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCC1(F)F	REAL300020301159	0	44	-1.0	-44.73	343.31	5.08	-39.65
CC1N(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCC1(F)F	REAL300020301159	1	44	-1.0	-44.77	343.36	5.10	-39.67
CC1N(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCC1(F)F	REAL300020301160	0	41	-1.0	-40.08	313.79	4.21	-35.87
CC1N(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCC1(F)F	REAL300020301160	1	41	-1.0	-40.05	313.82	4.21	-35.84
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301161	0	54	-1.0	-41.13	425.37	8.57	-32.56
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301161	1	54	-1.0	-41.11	425.43	8.59	-32.52
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301162	0	51	-1.0	-43.05	406.10	7.96	-35.09
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301162	1	51	-1.0	-43.01	406.04	7.93	-35.08
C(CC1=NN=C(N2CCCCCCCCCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301163	0	59	-1.0	-39.96	388.54	5.73	-34.23
C(CC1=NN=C(N2CCCCCCCCCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301163	1	59	-1.0	-39.99	388.60	5.74	-34.25
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCCCCC2)N1C1CCOC1	REAL300020301164	0	56	-1.0	-47.00	370.49	5.69	-41.31
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCCCCC2)N1C1CCOC1	REAL300020301164	1	56	-1.0	-47.04	370.54	5.70	-41.34
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301165	0	51	-1.0	-41.55	376.67	7.71	-33.84
C(CC1=NN=C(N2CCCC3(CCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301165	1	51	-1.0	-41.55	376.73	7.72	-33.83
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCC3)C2)N1C1CCOC1	REAL300020301166	0	48	-1.0	-43.37	358.32	6.25	-37.12
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCC3)C2)N1C1CCOC1	REAL300020301166	1	48	-1.0	-43.39	358.38	6.25	-37.14
CCC1COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301167	0	51	-1.0	-39.84	380.52	5.78	-34.06
CCC1COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301167	1	51	-1.0	-39.84	380.59	5.79	-34.05
CCC1COCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301168	0	48	-1.0	-44.30	350.25	3.97	-40.33
CCC1COCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301168	1	48	-1.0	-44.28	350.30	3.98	-40.30
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC3(CCCCC3)C2)N1C1CCOC1	REAL300020301169	0	57	-1.0	-43.86	389.11	8.08	-35.78
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC3(CCCCC3)C2)N1C1CCOC1	REAL300020301169	1	57	-1.0	-43.85	389.16	8.08	-35.77
CC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301170	0	48	-1.0	-41.23	360.53	4.08	-37.15
CC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301170	1	48	-1.0	-41.25	360.60	4.09	-37.16
CC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301171	0	45	-1.0	-43.76	334.13	2.85	-40.91
CC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301171	1	45	-1.0	-43.76	334.18	2.85	-40.91
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCO1	REAL300020301172	0	52	-1.0	-41.14	400.30	7.27	-33.87
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCO1	REAL300020301172	1	52	-1.0	-41.12	400.30	7.26	-33.86
C1=CCC2(CCCC2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301173	0	55	-1.0	-42.60	395.27	8.11	-34.49
C1=CCC2(CCCC2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301173	1	55	-1.0	-42.60	395.33	8.12	-34.48
C1=CCC2(CCCC2)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301174	0	52	-1.0	-48.11	369.12	7.95	-40.16
C1=CCC2(CCCC2)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301174	1	52	-1.0	-48.10	369.18	7.95	-40.15
CS(=O)(=O)N[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301175	0	49	-1.0	-50.10	382.39	0.27	-49.83
CS(=O)(=O)N[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301175	1	49	-1.0	-50.07	382.44	0.27	-49.80
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301176	0	50	-1.0	-43.47	392.18	7.53	-35.94
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301176	1	50	-1.0	-43.47	392.25	7.54	-35.93
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301177	0	47	-1.0	-47.22	375.06	7.37	-39.85
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301177	1	47	-1.0	-47.17	375.11	7.39	-39.78
O=C1NCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)C1O	REAL300020301178	0	50	-1.0	-44.26	369.79	-0.92	-45.18
O=C1NCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)C1O	REAL300020301178	1	50	-1.0	-44.26	369.85	-0.91	-45.17
C[C@@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301179	0	45	-1.0	-40.41	346.32	3.76	-36.65
C[C@@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301179	1	45	-1.0	-40.40	346.38	3.77	-36.63
C[C@@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301180	0	42	-1.0	-44.98	328.72	4.14	-40.84
C[C@@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301180	1	42	-1.0	-45.00	328.79	4.15	-40.85
C[C@@H]1CSCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301181	0	49	-1.0	-40.35	391.14	7.93	-32.42
C[C@@H]1CSCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301181	1	49	-1.0	-40.28	391.20	7.93	-32.35
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301182	0	55	-1.0	-48.51	418.65	8.33	-40.18
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301182	1	55	-1.0	-48.54	418.70	8.35	-40.19
C=CCCC1(C#N)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301183	0	52	-1.0	-52.19	393.72	6.57	-45.62
C=CCCC1(C#N)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301183	1	52	-1.0	-52.14	393.78	6.57	-45.57
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301184	0	54	-1.0	-40.62	411.84	7.79	-32.83
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301184	1	54	-1.0	-40.64	411.91	7.80	-32.84
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301185	0	51	-1.0	-42.62	397.65	8.27	-34.35
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301185	1	51	-1.0	-42.61	397.60	8.25	-34.36
C(CC1=NN=C(N2CCCCC3(CCCC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301186	0	57	-1.0	-37.92	397.83	8.79	-29.13
C(CC1=NN=C(N2CCCCC3(CCCC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301186	1	57	-1.0	-37.92	397.89	8.80	-29.12
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC3(CCCC3)C2)N1C1CCOC1	REAL300020301187	0	54	-1.0	-40.43	372.99	8.27	-32.16
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC3(CCCC3)C2)N1C1CCOC1	REAL300020301187	1	54	-1.0	-40.41	373.08	8.30	-32.11
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301188	0	51	-1.0	-39.14	405.76	7.49	-31.65
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301188	1	51	-1.0	-39.22	405.82	7.49	-31.73
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C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301189	1	48	-1.0	-41.97	389.48	7.14	-34.83
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FC(F)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301191	0	46	-1.0	-49.23	352.40	2.91	-46.32
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C(CC1=NN=C(N2CC3CCCCCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301192	0	54	-1.0	-41.78	385.12	7.20	-34.58
C(CC1=NN=C(N2CC3CCCCCC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301192	1	54	-1.0	-41.78	385.18	7.21	-34.57
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CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301194	1	49	-1.0	-55.31	389.06	0.32	-54.99
CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301195	0	46	-1.0	-57.69	363.07	-0.51	-58.20
CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301195	1	46	-1.0	-57.68	363.13	-0.51	-58.19
FC(F)(F)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301196	0	44	-1.0	-41.48	349.75	5.42	-36.06
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C1=C2COCCN2N=C1NC1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301197	1	46	-1.0	-43.78	369.02	5.50	-38.28
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OC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CCO2	REAL300020301199	0	50	-1.0	-43.92	393.37	4.12	-39.80
OC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CCO2	REAL300020301199	1	50	-1.0	-43.95	393.43	4.14	-39.81
OC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CCO2	REAL300020301200	0	47	-1.0	-46.99	366.96	2.91	-44.08
OC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CCO2	REAL300020301200	1	47	-1.0	-47.04	366.90	2.90	-44.14
OCCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301201	0	54	-1.0	-48.43	407.99	-0.48	-48.91
OCCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301201	1	54	-1.0	-48.43	408.04	-0.46	-48.89
OCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301201	1	55	0.0	-66.81	405.81	1.95	-64.86
CC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301202	0	51	-1.0	-44.87	376.36	3.01	-41.86
CC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301202	1	51	-1.0	-44.84	376.42	3.02	-41.82
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C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301206	1	51	-1.0	-45.93	383.55	1.74	-44.19
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C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301207	1	48	-1.0	-48.77	359.92	1.27	-47.50
CN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301208	0	48	-1.0	-41.86	368.34	5.39	-36.47
CN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301208	1	48	-1.0	-41.83	368.40	5.40	-36.43
CN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301209	0	45	-1.0	-46.25	344.02	3.86	-42.39
CN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301209	1	45	-1.0	-46.26	344.06	3.88	-42.38
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301210	0	52	-1.0	-42.09	403.13	6.99	-35.10
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301210	1	52	-1.0	-42.12	403.18	6.97	-35.15
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C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301211	1	46	-1.0	-46.93	353.62	5.78	-41.15
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301212	0	43	-1.0	-47.31	330.85	5.20	-42.11
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301212	1	43	-1.0	-47.36	330.82	5.19	-42.17
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301213	0	50	-1.0	-43.97	391.57	9.28	-34.69
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301213	1	50	-1.0	-43.94	391.61	9.28	-34.66
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301214	0	47	-1.0	-43.40	382.02	8.00	-35.40
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301214	1	47	-1.0	-43.42	382.07	8.02	-35.40
CNC(=O)C1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301215	0	54	-1.0	-50.19	404.06	4.20	-45.99
CNC(=O)C1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301215	1	54	-1.0	-50.26	404.14	4.21	-46.05
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301216	0	51	-1.0	-46.49	387.29	3.41	-43.08
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301216	1	51	-1.0	-46.52	387.35	3.41	-43.11
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCN1S(C)(=O)=O	REAL300020301217	0	49	-1.0	-44.85	376.87	1.91	-42.94
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCN1S(C)(=O)=O	REAL300020301217	1	49	-1.0	-44.88	376.95	1.95	-42.93
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301218	0	51	-1.0	-38.64	410.49	7.69	-30.95
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301218	1	51	-1.0	-38.72	410.55	7.71	-31.01
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301219	0	48	-1.0	-44.82	382.08	6.86	-37.96
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301219	1	48	-1.0	-44.82	382.00	6.85	-37.97
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC(CCO)O1	REAL300020301220	0	55	-1.0	-43.97	396.16	1.97	-42.00
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC(CCO)O1	REAL300020301220	1	55	-1.0	-43.99	396.22	1.99	-42.00
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(CCO)O1	REAL300020301221	0	52	-1.0	-48.58	391.85	2.41	-46.17
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(CCO)O1	REAL300020301221	1	52	-1.0	-48.64	391.91	2.43	-46.21
C1=CC(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=CC=[NH+]1	REAL300020301222	0	53	0.0	-68.72	398.29	4.85	-63.87
C1=CC(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=CC=[NH+]1	REAL300020301222	1	53	0.0	-68.76	398.24	4.85	-63.91
FC1(F)CC12CCCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020301223	0	51	-1.0	-46.21	384.02	7.24	-38.97
FC1(F)CC12CCCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020301223	1	51	-1.0	-46.17	384.07	7.26	-38.91
FC1(F)CC12CCCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020301224	0	48	-1.0	-43.52	355.88	6.49	-37.03
FC1(F)CC12CCCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020301224	1	48	-1.0	-43.56	355.94	6.50	-37.06
OC1=CC=C(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C=C1	REAL300020301225	0	52	-1.0	-44.18	400.07	5.91	-38.27
OC1=CC=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C=C1	REAL300020301225	1	52	-1.0	-44.20	400.12	5.93	-38.27
CC(C)(CO)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301226	0	57	-1.0	-46.31	409.32	3.97	-42.34
CC(C)(CO)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301226	1	57	-1.0	-46.30	409.38	3.98	-42.32
CC(C)(CO)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301227	0	54	-1.0	-41.82	382.24	3.23	-38.59
CC(C)(CO)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301227	1	54	-1.0	-41.83	382.30	3.24	-38.59
OC1(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCO2)CC1	REAL300020301228	0	50	-1.0	-45.61	385.11	2.58	-43.03
OC1(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCO2)CC1	REAL300020301228	1	50	-1.0	-45.66	385.16	2.59	-43.07
OC1(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCO2)CC1	REAL300020301229	0	47	-1.0	-48.72	365.90	1.32	-47.40
OC1(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCO2)CC1	REAL300020301229	1	47	-1.0	-48.70	365.95	1.34	-47.36
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CC4=N[N-]N=N4)N2C2CCOC2)C3)C=C1	REAL300020301230	0	52	-1.0	-43.81	393.75	8.48	-35.33
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CC4=NN=N[N-]4)N2C2CCOC2)C3)C=C1	REAL300020301230	1	52	-1.0	-43.83	393.81	8.48	-35.35
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301231	0	45	-1.0	-42.50	351.24	5.44	-37.06
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301231	1	45	-1.0	-42.48	351.33	5.44	-37.04
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301232	0	42	-1.0	-40.97	332.41	5.84	-35.13
FC(F)[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301232	1	42	-1.0	-43.89	332.55	5.37	-38.52
COC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301233	0	49	-1.0	-42.03	370.16	5.48	-36.55
COC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301233	1	49	-1.0	-42.08	370.22	5.49	-36.59
COC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301234	0	46	-1.0	-46.40	345.43	4.51	-41.89
COC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301234	1	46	-1.0	-46.43	345.48	4.53	-41.90
CC1NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020301235	0	50	-1.0	-55.67	375.69	1.92	-53.75
CC1NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020301235	1	50	-1.0	-55.57	375.76	1.93	-53.64
C(CC1=NN=C(N2CC3CCCCCCC3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301236	0	57	-1.0	-39.65	392.12	7.33	-32.32
C(CC1=NN=C(N2CC3CCCCCCC3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301236	1	57	-1.0	-39.61	392.18	7.34	-32.27
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CCCCCCC3C2)N1C1CCOC1	REAL300020301237	0	54	-1.0	-47.30	375.29	6.90	-40.40
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CCCCCCC3C2)N1C1CCOC1	REAL300020301237	1	54	-1.0	-47.33	375.37	6.91	-40.42
C(CC1=NN=C(N2CCC3(C2)CCSCC3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301238	0	52	-1.0	-41.51	374.68	5.72	-35.79
C(CC1=NN=C(N2CCC3(C2)CCSCC3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301238	1	52	-1.0	-41.48	374.75	5.75	-35.73
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)CCSCC3)N1C1CCOC1	REAL300020301239	0	49	-1.0	-45.91	359.75	6.49	-39.42
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)CCSCC3)N1C1CCOC1	REAL300020301239	1	49	-1.0	-45.91	359.80	6.49	-39.42
CCCCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301240	0	59	-1.0	-42.65	438.93	8.89	-33.76
CCCCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301240	1	59	-1.0	-42.67	438.98	8.90	-33.77
CCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301241	0	56	-1.0	-41.17	405.83	7.11	-34.06
CCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301241	1	56	-1.0	-41.20	405.88	7.13	-34.07
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301242	0	53	-1.0	-42.78	395.93	7.33	-35.45
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301242	1	53	-1.0	-42.73	395.99	7.34	-35.39
C(CC1=NN=C(N2CCCC3(C2)OC[C@H]2C[C@H]23)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301243	0	53	-1.0	-39.96	400.71	7.21	-32.75
C(CC1=NN=C(N2CCCC3(C2)OC[C@H]2C[C@H]23)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301243	1	53	-1.0	-39.96	400.77	7.23	-32.73
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(C2)OC[C@H]2C[C@H]23)N1C1CCOC1	REAL300020301244	0	50	-1.0	-45.86	374.05	5.60	-40.26
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(C2)OC[C@H]2C[C@H]23)N1C1CCOC1	REAL300020301244	1	50	-1.0	-45.87	374.12	5.61	-40.26
C(CC1=NN=C(N2CCC(OCC3CC3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301245	0	52	-1.0	-41.96	396.54	5.81	-36.15
C(CC1=NN=C(N2CCC(OCC3CC3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301245	1	52	-1.0	-41.96	396.59	5.82	-36.14
C(OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1)C1CC1	REAL300020301246	0	49	-1.0	-43.02	372.26	5.24	-37.78
C(OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1)C1CC1	REAL300020301246	1	49	-1.0	-43.03	372.31	5.26	-37.77
CCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301247	0	47	-1.0	-42.93	357.44	6.37	-36.56
CCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301247	1	47	-1.0	-42.92	357.49	6.39	-36.53
CCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301248	0	44	-1.0	-48.70	331.75	5.41	-43.29
CCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301248	1	44	-1.0	-48.71	331.80	5.41	-43.30
CCC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020301249	0	51	-1.0	-42.69	399.29	8.29	-34.40
CCC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020301249	1	51	-1.0	-42.69	399.30	8.31	-34.38
CCOC1(OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301250	0	55	-1.0	-44.19	403.34	5.17	-39.02
CCOC1(OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301250	1	55	-1.0	-44.20	403.39	5.17	-39.03
FC1(F)CC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC21	REAL300020301251	0	45	-1.0	-45.93	348.46	5.60	-40.33
FC1(F)CC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC21	REAL300020301251	1	45	-1.0	-45.96	348.48	5.61	-40.35
FC1(F)CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC21	REAL300020301252	0	42	-1.0	-41.22	320.04	4.89	-36.33
FC1(F)CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC21	REAL300020301252	1	42	-1.0	-41.22	320.09	4.90	-36.32
C(CC1=NN=C(N2CCCC3(CCO3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301253	0	49	-1.0	-43.43	366.22	5.33	-38.10
C(CC1=NN=C(N2CCCC3(CCO3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301253	1	49	-1.0	-43.43	366.27	5.34	-38.09
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCO3)C2)N1C1CCOC1	REAL300020301254	0	46	-1.0	-45.79	347.24	3.97	-41.82
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCO3)C2)N1C1CCOC1	REAL300020301254	1	46	-1.0	-45.83	347.31	3.99	-41.84
COC(=O)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301255	0	51	-1.0	-46.73	397.68	5.35	-41.38
COC(=O)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301255	1	51	-1.0	-46.74	397.74	5.37	-41.37
COC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301256	0	48	-1.0	-48.66	372.92	4.40	-44.26
COC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301256	1	48	-1.0	-48.70	372.98	4.41	-44.29
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301257	0	57	-1.0	-42.05	416.55	5.69	-36.36
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301257	1	57	-1.0	-42.11	416.61	5.69	-36.42
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301258	0	54	-1.0	-46.46	394.13	5.10	-41.36
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301258	1	54	-1.0	-46.47	394.20	5.11	-41.36
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301259	0	57	-1.0	-42.15	424.55	7.40	-34.75
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301259	1	57	-1.0	-42.18	424.61	7.41	-34.77
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301260	0	54	-1.0	-43.79	401.52	6.65	-37.14
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301260	1	54	-1.0	-45.35	392.96	5.37	-39.98
COC(=O)C12CC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301261	0	48	-1.0	-43.84	375.09	5.53	-38.31
COC(=O)C12CC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301261	1	48	-1.0	-43.83	375.16	5.54	-38.29
COC(=O)C12CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301262	0	45	-1.0	-48.43	353.24	5.54	-42.89
COC(=O)C12CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301262	1	45	-1.0	-48.41	353.29	5.55	-42.86
CCC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020301263	0	50	-1.0	-41.68	385.42	8.07	-33.61
CCC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020301263	1	50	-1.0	-41.69	385.47	8.08	-33.61
CCC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020301264	0	47	-1.0	-50.69	366.78	8.39	-42.30
CCC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020301264	1	47	-1.0	-50.64	366.73	8.37	-42.27
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1=CC=C2OCCOC2=C1	REAL300020301265	0	50	-1.0	-43.10	387.04	5.60	-37.50
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1=CC=C2OCCOC2=C1	REAL300020301265	1	50	-1.0	-43.19	387.10	5.62	-37.57
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1=CC=C2OCCOC2=C1	REAL300020301266	0	47	-1.0	-51.10	368.42	6.09	-45.01
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1=CC=C2OCCOC2=C1	REAL300020301266	1	47	-1.0	-51.04	368.37	6.07	-44.97
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301267	0	49	-1.0	-51.99	393.85	8.23	-43.76
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301267	1	49	-1.0	-52.04	393.91	8.23	-43.81
COCCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301268	0	53	-1.0	-48.70	411.50	2.94	-45.76
COCCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301268	1	53	-1.0	-48.69	411.56	2.95	-45.74
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301269	0	51	-1.0	-46.04	391.44	2.07	-43.97
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301269	1	51	-1.0	-46.02	391.49	2.09	-43.93
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301270	0	48	-1.0	-49.12	374.87	2.02	-47.10
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301270	1	48	-1.0	-49.13	374.92	2.02	-47.11
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301271	0	47	-1.0	-42.38	378.79	6.72	-35.66
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301271	1	47	-1.0	-42.38	378.84	6.74	-35.64
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301272	0	44	-1.0	-44.84	359.50	6.58	-38.26
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301272	1	44	-1.0	-44.84	359.55	6.58	-38.26
COC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020301273	0	52	-1.0	-44.10	398.17	6.39	-37.71
COC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020301273	1	52	-1.0	-44.08	398.22	6.40	-37.68
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020301274	0	49	-1.0	-50.38	372.35	5.46	-44.92
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020301274	1	49	-1.0	-50.36	372.40	5.47	-44.89
COC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020301275	0	51	-1.0	-42.76	391.44	5.88	-36.88
COC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020301275	1	51	-1.0	-42.80	391.50	5.88	-36.92
COC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=C1	REAL300020301276	0	48	-1.0	-46.17	375.87	5.79	-40.38
COC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=C1	REAL300020301276	1	48	-1.0	-46.13	375.83	5.77	-40.36
CC(F)(F)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301277	0	50	-1.0	-46.70	380.32	6.53	-40.17
CC(F)(F)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301277	1	50	-1.0	-46.71	380.37	6.55	-40.16
CC(F)(F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301278	0	47	-1.0	-41.70	359.49	6.60	-35.10
CC(F)(F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301278	1	47	-1.0	-41.73	359.54	6.63	-35.10
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301279	0	57	-1.0	-44.94	421.21	7.37	-37.57
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301279	1	57	-1.0	-44.95	421.38	7.40	-37.55
OC1=CC(F)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC2=C1	REAL300020301280	0	46	-1.0	-50.97	356.86	3.08	-47.89
OC1=CC(F)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC2=C1	REAL300020301280	1	46	-1.0	-50.96	356.91	3.11	-47.85
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)C1CC2(CC2)C1	REAL300020301281	0	48	-1.0	-41.67	366.20	7.53	-34.14
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)C1CC2(CC2)C1	REAL300020301281	1	48	-1.0	-41.67	366.24	7.54	-34.13
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1CC2(CC2)C1	REAL300020301282	0	45	-1.0	-46.18	343.42	6.35	-39.83
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1CC2(CC2)C1	REAL300020301282	1	45	-1.0	-46.20	343.48	6.35	-39.85
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1)C1CC2(CC2)C1	REAL300020301283	0	52	-1.0	-41.24	401.31	9.13	-32.11
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1)C1CC2(CC2)C1	REAL300020301283	1	52	-1.0	-41.21	401.36	9.11	-32.10
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC[C@H]1C	REAL300020301284	0	51	-1.0	-41.79	379.63	4.17	-37.62
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC[C@H]1C	REAL300020301284	1	51	-1.0	-41.77	379.69	4.19	-37.58
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC[C@H]1C	REAL300020301285	0	48	-1.0	-46.16	362.93	4.67	-41.49
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[C@H]1C	REAL300020301285	1	48	-1.0	-46.20	362.98	4.69	-41.51
N#CC(C#N)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301286	0	49	-1.0	-54.35	390.12	6.25	-48.10
N#CC(C#N)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301286	1	49	-1.0	-54.31	390.17	6.27	-48.04
N#CC(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301287	0	46	-1.0	-53.19	364.99	5.35	-47.84
N#CC(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301287	1	46	-1.0	-53.21	365.06	5.35	-47.86
C(CC1=NN=C(N2CCC3CCCC(C3)C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301288	0	54	-1.0	-40.75	378.67	7.41	-33.34
C(CC1=NN=C(N2CCC3CCCC(C3)C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301288	1	54	-1.0	-40.77	378.73	7.43	-33.34
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCC(C3)C2)N1C1CCOC1	REAL300020301289	0	51	-1.0	-46.57	354.29	8.25	-38.32
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCC(C3)C2)N1C1CCOC1	REAL300020301289	1	51	-1.0	-46.66	354.34	8.26	-38.40
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)=NO1	REAL300020301290	0	47	-1.0	-52.15	351.66	4.88	-47.27
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)=NO1	REAL300020301290	1	47	-1.0	-52.18	351.72	4.90	-47.28
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)=NO1	REAL300020301291	0	44	-1.0	-49.66	333.32	3.68	-45.98
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)=NO1	REAL300020301291	1	44	-1.0	-49.71	333.38	3.71	-46.00
C1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)=NO1	REAL300020301292	0	47	-1.0	-52.15	351.66	4.88	-47.27
C1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)=NO1	REAL300020301292	1	47	-1.0	-52.18	351.72	4.90	-47.28
C1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)=NO1	REAL300020301293	0	44	-1.0	-49.66	333.32	3.68	-45.98
C1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)=NO1	REAL300020301293	1	44	-1.0	-49.71	333.38	3.71	-46.00
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301294	0	49	-1.0	-41.58	370.67	3.02	-38.56
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301294	1	49	-1.0	-41.58	370.73	3.04	-38.54
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301295	0	46	-1.0	-41.32	349.45	2.29	-39.03
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301295	1	46	-1.0	-41.34	349.51	2.32	-39.02
CC1CC(F)(F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301296	0	44	-1.0	-43.02	345.67	5.36	-37.66
CC1CC(F)(F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301296	1	44	-1.0	-43.02	345.73	5.37	-37.65
CC1CC(F)(F)CN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301297	0	41	-1.0	-40.45	323.42	5.02	-35.43
CC1CC(F)(F)CN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301297	1	41	-1.0	-40.45	323.46	5.05	-35.40
C1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)=C1	REAL300020301298	0	50	-1.0	-46.64	387.62	6.37	-40.27
C1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)=C1	REAL300020301298	1	50	-1.0	-46.62	387.67	6.38	-40.24
C1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)=C1	REAL300020301299	0	47	-1.0	-48.15	362.48	5.46	-42.69
C1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)=C1	REAL300020301299	1	47	-1.0	-48.19	362.55	5.47	-42.72
OC1=CC=C(C2CCCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020301300	0	52	-1.0	-48.77	389.95	3.87	-44.90
OC1=CC=C(C2CCCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020301300	1	52	-1.0	-48.76	389.89	3.85	-44.91
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301301	0	49	-1.0	-43.48	390.92	7.27	-36.21
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301301	1	49	-1.0	-43.53	390.98	7.29	-36.24
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301302	0	46	-1.0	-46.11	373.20	6.91	-39.20
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301302	1	46	-1.0	-46.14	373.28	6.94	-39.20
COCCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301303	0	55	-1.0	-43.41	409.69	4.01	-39.40
COCCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301303	1	55	-1.0	-43.47	409.75	4.03	-39.44
COCCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301304	0	52	-1.0	-48.10	388.96	3.97	-44.13
COCCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301304	1	52	-1.0	-48.13	389.00	3.97	-44.16
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301305	0	53	-1.0	-43.11	388.83	6.47	-36.64
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301305	1	53	-1.0	-43.13	388.88	6.49	-36.64
CCCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301306	0	50	-1.0	-45.65	366.46	5.84	-39.81
CCCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301306	1	50	-1.0	-45.64	366.52	5.83	-39.81
CN1CC2(CC1=O)CCCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301307	0	52	-1.0	-49.29	393.11	4.80	-44.49
CN1CC2(CC1=O)CCCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301307	1	52	-1.0	-49.29	393.16	4.81	-44.48
C(CC1=NN=C(N2CC3CC4CC3C2C4)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301308	0	49	-1.0	-43.16	357.25	6.62	-36.54
C(CC1=NN=C(N2CC3CC4CC3C2C4)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301308	1	49	-1.0	-43.15	357.31	6.64	-36.51
C(C1=N[N-]N=N1)C1=NN=C(N2CC3CC4CC3C2C4)N1C1CCOC1	REAL300020301309	0	46	-1.0	-43.76	335.46	6.04	-37.72
C(C1=NN=N[N-]1)C1=NN=C(N2CC3CC4CC3C2C4)N1C1CCOC1	REAL300020301309	1	46	-1.0	-43.77	335.51	6.05	-37.72
CC1=CC=C(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020301310	0	54	-1.0	-40.15	412.87	7.27	-32.88
CC1=CC=C(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020301310	1	54	-1.0	-40.15	412.94	7.27	-32.88
CC1=CC=C(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020301311	0	51	-1.0	-41.63	397.55	7.77	-33.86
CC1=CC=C(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020301311	1	51	-1.0	-41.62	397.61	7.80	-33.82
CC1=CC=C(C23CC2CN(C2=NN=C(CC4=N[N-]N=N4)N2C2CCOC2)C3)C=C1	REAL300020301312	0	52	-1.0	-48.09	390.97	8.38	-39.71
CC1=CC=C(C23CC2CN(C2=NN=C(CC4=NN=N[N-]4)N2C2CCOC2)C3)C=C1	REAL300020301312	1	52	-1.0	-48.12	391.02	8.39	-39.73
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(CC(C4CC4)=NO3)CC2)N1C1CCOC1	REAL300020301313	0	53	-1.0	-52.89	405.14	6.93	-45.96
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(CC(C4CC4)=NO3)CC2)N1C1CCOC1	REAL300020301313	1	53	-1.0	-52.91	405.22	6.92	-45.99
CC1=NN=C([C@H]2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)O1	REAL300020301314	0	49	-1.0	-53.47	381.03	0.44	-53.03
CC1=NN=C([C@H]2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)O1	REAL300020301314	1	49	-1.0	-53.50	381.09	0.45	-53.05
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)O1	REAL300020301315	0	46	-1.0	-46.09	362.77	0.82	-45.27
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)O1	REAL300020301315	1	46	-1.0	-46.09	362.86	0.86	-45.23
COC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301316	0	49	-1.0	-41.73	386.05	7.89	-33.84
COC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301316	1	49	-1.0	-41.71	386.10	7.90	-33.81
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301317	0	46	-1.0	-46.83	348.66	7.34	-39.49
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301317	1	46	-1.0	-46.81	348.60	7.34	-39.47
COC(=O)C[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301318	0	50	-1.0	-41.69	379.79	5.32	-36.37
COC(=O)C[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301318	1	50	-1.0	-41.72	379.85	5.34	-36.38
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301319	0	47	-1.0	-47.10	360.73	4.63	-42.47
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301319	1	47	-1.0	-47.10	360.79	4.63	-42.47
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1(F)F	REAL300020301320	0	44	-1.0	-40.04	340.55	4.71	-35.33
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1(F)F	REAL300020301320	1	44	-1.0	-40.03	340.60	4.72	-35.31
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(F)F	REAL300020301321	0	41	-1.0	-42.13	317.30	4.20	-37.93
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(F)F	REAL300020301321	1	41	-1.0	-42.14	317.37	4.22	-37.92
C1=CC2(CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)OC1	REAL300020301322	0	53	-1.0	-47.04	385.45	6.43	-40.61
C1=CC2(CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)OC1	REAL300020301322	1	53	-1.0	-47.01	385.53	6.45	-40.56
C1=CC2(CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)OC1	REAL300020301323	0	50	-1.0	-46.36	363.45	5.02	-41.34
C1=CC2(CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)OC1	REAL300020301323	1	50	-1.0	-46.35	363.50	5.04	-41.31
C(CC1=NN=C(N2CCCC3(CCCO3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301324	0	55	-1.0	-43.99	398.27	6.59	-37.40
C(CC1=NN=C(N2CCCC3(CCCO3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301324	1	55	-1.0	-43.99	398.33	6.61	-37.38
C(C1=N[N-]N=N1)C1=NN=C(N2CCCC3(CCCO3)CC2)N1C1CCOC1	REAL300020301325	0	52	-1.0	-42.16	369.60	5.74	-36.42
C(C1=NN=N[N-]1)C1=NN=C(N2CCCC3(CCCO3)CC2)N1C1CCOC1	REAL300020301325	1	52	-1.0	-42.21	369.65	5.76	-36.45
COC(=O)C1=COC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301326	0	45	-1.0	-45.30	362.48	5.83	-39.47
COC(=O)C1=COC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301326	1	45	-1.0	-45.32	362.54	5.83	-39.49
CN(CC1CCCCC12CCC2)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301327	0	57	-1.0	-46.17	405.65	8.34	-37.83
CN(CC1CCCCC12CCC2)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301327	1	57	-1.0	-46.16	405.70	8.36	-37.80
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2CCCN12	REAL300020301328	0	49	-1.0	-45.43	359.37	3.72	-41.71
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2CCCN12	REAL300020301328	1	49	-1.0	-45.44	359.46	3.72	-41.72
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2CCCN12	REAL300020301329	0	46	-1.0	-47.56	343.58	3.37	-44.19
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2CCCN12	REAL300020301329	1	46	-1.0	-47.58	343.63	3.38	-44.20
C=C1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301330	0	45	-1.0	-41.83	346.97	6.65	-35.18
C=C1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301330	1	45	-1.0	-41.83	347.03	6.66	-35.17
C=C1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301331	0	42	-1.0	-46.27	322.79	5.22	-41.05
C=C1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301331	1	42	-1.0	-46.31	322.72	5.21	-41.10
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020301332	0	49	-1.0	-41.37	382.53	8.28	-33.09
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020301332	1	49	-1.0	-41.31	382.56	8.27	-33.04
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)O1	REAL300020301333	0	49	-1.0	-53.46	380.43	0.31	-53.15
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)O1	REAL300020301333	1	49	-1.0	-53.44	380.49	0.32	-53.12
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)O1	REAL300020301334	0	46	-1.0	-56.63	355.14	-0.02	-56.65
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)O1	REAL300020301334	1	46	-1.0	-56.66	355.19	-0.01	-56.67
CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301335	0	48	-1.0	-45.15	367.25	4.34	-40.81
CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301335	1	48	-1.0	-45.16	367.31	4.36	-40.80
CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301336	0	45	-1.0	-45.16	340.82	4.08	-41.08
CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301336	1	45	-1.0	-45.17	340.87	4.08	-41.09
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020301337	0	52	-1.0	-44.13	399.14	7.54	-36.59
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020301337	1	52	-1.0	-44.23	399.16	7.53	-36.70
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)[C@H]2COC[C@H]21	REAL300020301338	0	50	-1.0	-46.37	378.24	2.78	-43.59
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)[C@H]2COC[C@H]21	REAL300020301338	1	50	-1.0	-46.34	378.30	2.80	-43.54
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)[C@H]2COC[C@H]21	REAL300020301339	0	47	-1.0	-48.09	352.52	2.53	-45.56
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)[C@H]2COC[C@H]21	REAL300020301339	1	47	-1.0	-48.12	352.57	2.53	-45.59
O=C(NC1CC1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301340	0	52	-1.0	-46.78	403.11	4.42	-42.36
O=C(NC1CC1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301340	1	52	-1.0	-46.75	403.17	4.42	-42.33
OC1=CC2=C(C=C1F)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301341	0	46	-1.0	-46.13	366.21	4.14	-41.99
OC1=CC2=C(C=C1F)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301341	1	46	-1.0	-46.14	366.27	4.15	-41.99
CC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301342	0	47	-1.0	-39.33	353.08	5.58	-33.75
CC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301342	1	47	-1.0	-39.33	353.13	5.58	-33.75
CN1C=C(C23CCC2CCN3C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=N1	REAL300020301343	0	52	-1.0	-52.96	400.24	5.39	-47.57
CN1C=C(C23CCC2CCN3C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=N1	REAL300020301343	1	52	-1.0	-52.97	400.20	5.40	-47.57
CSCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301344	0	54	-1.0	-43.36	406.25	7.21	-36.15
CSCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301344	1	54	-1.0	-43.37	406.31	7.23	-36.14
CSCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301345	0	51	-1.0	-41.73	381.96	6.41	-35.32
CSCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301345	1	51	-1.0	-41.76	382.02	6.43	-35.33
CC(N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)C1(S(C)(=O)=O)CC1	REAL300020301346	0	50	-1.0	-56.40	375.01	3.33	-53.07
CC(N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)C1(S(C)(=O)=O)CC1	REAL300020301346	1	50	-1.0	-56.42	375.07	3.34	-53.08
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCC(F)(F)C1	REAL300020301347	0	50	-1.0	-42.67	369.23	7.44	-35.23
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCC(F)(F)C1	REAL300020301347	1	50	-1.0	-42.68	369.28	7.45	-35.23
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCC(F)(F)C1	REAL300020301348	0	47	-1.0	-44.12	349.55	5.95	-38.17
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCC(F)(F)C1	REAL300020301348	1	47	-1.0	-44.16	349.59	5.97	-38.19
COC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301349	0	53	-1.0	-41.84	409.72	7.69	-34.15
COC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301349	1	53	-1.0	-41.87	409.78	7.72	-34.15
COC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301350	0	50	-1.0	-45.96	381.81	5.91	-40.05
COC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301350	1	50	-1.0	-45.95	381.86	5.92	-40.03
COC(=O)C[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301351	0	53	-1.0	-45.79	404.18	6.46	-39.33
COC(=O)C[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301351	1	53	-1.0	-45.74	404.24	6.47	-39.27
COC(=O)C[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301352	0	50	-1.0	-47.41	383.30	6.07	-41.34
COC(=O)C[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301352	1	50	-1.0	-47.41	383.35	6.09	-41.32
COC(=O)C[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301353	0	53	-1.0	-44.54	406.28	6.40	-38.14
COC(=O)C[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301353	1	53	-1.0	-44.52	406.34	6.41	-38.11
COC(=O)C[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301354	0	50	-1.0	-46.06	381.70	5.85	-40.21
COC(=O)C[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301354	1	50	-1.0	-46.05	381.74	5.86	-40.19
CC1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)=C1	REAL300020301355	0	50	-1.0	-43.54	378.10	5.14	-38.40
CC1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)=C1	REAL300020301355	1	50	-1.0	-43.54	378.15	5.15	-38.39
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)=C1	REAL300020301356	0	47	-1.0	-49.72	362.14	5.37	-44.35
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)=C1	REAL300020301356	1	47	-1.0	-49.70	362.18	5.38	-44.32
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C=C1	REAL300020301357	0	51	-1.0	-51.47	402.70	5.35	-46.12
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C=C1	REAL300020301357	1	51	-1.0	-51.46	402.75	5.37	-46.09
CC(C1CCCO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301358	0	51	-1.0	-40.61	366.67	4.78	-35.83
CC(C1CCCO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301358	1	51	-1.0	-40.67	366.72	4.79	-35.88
CC(C1CCCO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301359	0	48	-1.0	-43.57	335.43	3.87	-39.70
CC(C1CCCO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301359	1	48	-1.0	-43.56	335.48	3.88	-39.68
C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCCCCC2=C1	REAL300020301360	0	54	-1.0	-40.23	389.71	7.54	-32.69
C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCCCCC2=C1	REAL300020301360	1	54	-1.0	-40.25	389.66	7.51	-32.74
C[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301361	0	44	-1.0	-48.49	319.49	4.72	-43.77
C[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301361	1	44	-1.0	-48.49	319.57	4.72	-43.77
C[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301362	0	41	-1.0	-42.62	317.83	3.31	-39.31
C[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301362	1	41	-1.0	-42.65	317.77	3.28	-39.37
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301363	0	48	-1.0	-40.52	372.20	7.58	-32.94
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301363	1	48	-1.0	-40.65	371.55	7.77	-32.88
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC[C@H]1F	REAL300020301364	0	48	-1.0	-43.43	372.04	4.43	-39.00
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC[C@H]1F	REAL300020301364	1	48	-1.0	-43.41	372.09	4.45	-38.96
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC[C@H]1F	REAL300020301365	0	45	-1.0	-43.50	340.46	3.04	-40.46
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC[C@H]1F	REAL300020301365	1	45	-1.0	-43.48	340.51	3.05	-40.43
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301366	0	52	-1.0	-41.08	393.23	7.63	-33.45
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301366	1	52	-1.0	-41.09	393.29	7.65	-33.44
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301367	0	49	-1.0	-49.89	361.76	6.27	-43.62
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301367	1	49	-1.0	-49.87	361.81	6.28	-43.59
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301368	0	48	-1.0	-52.46	372.82	2.73	-49.73
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301368	1	48	-1.0	-52.44	372.88	2.74	-49.70
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301369	0	45	-1.0	-60.10	349.00	2.35	-57.75
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301369	1	45	-1.0	-60.10	348.97	2.34	-57.76
O=S1(=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCN1	REAL300020301370	0	46	-1.0	-53.02	352.04	0.31	-52.71
O=S1(=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCN1	REAL300020301370	1	46	-1.0	-52.97	352.10	0.33	-52.64
O=S1(=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCN1	REAL300020301371	0	43	-1.0	-51.33	326.84	-0.68	-52.01
O=S1(=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCN1	REAL300020301371	1	43	-1.0	-51.40	326.89	-0.67	-52.07
FC1(F)C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CCC21	REAL300020301372	0	48	-1.0	-44.94	366.50	6.66	-38.28
FC1(F)C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CCC21	REAL300020301372	1	48	-1.0	-44.93	366.56	6.68	-38.25
FC1(F)C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CCC21	REAL300020301373	0	45	-1.0	-45.45	342.51	5.72	-39.73
FC1(F)C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CCC21	REAL300020301373	1	45	-1.0	-45.45	342.58	5.74	-39.71
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301374	0	59	0.0	-73.03	415.53	7.16	-65.87
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301374	1	59	0.0	-73.09	415.78	7.13	-65.96
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301374	1	59	0.0	-73.00	415.58	7.18	-65.82
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301374	1	59	0.0	-73.13	415.83	7.14	-65.99
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301375	0	56	0.0	-69.91	390.87	6.23	-63.68
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301375	1	56	0.0	-67.38	387.02	6.39	-60.99
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301375	1	56	0.0	-69.89	390.92	6.24	-63.65
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301375	1	56	0.0	-67.35	387.08	6.39	-60.96
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301376	0	51	-1.0	-47.66	393.83	9.27	-38.39
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301376	1	51	-1.0	-47.66	393.88	9.29	-38.37
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301377	0	48	-1.0	-54.12	377.99	9.16	-44.96
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301377	1	48	-1.0	-53.64	377.37	9.02	-44.62
CC1C2=CC=CN=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301378	0	50	-1.0	-42.71	374.21	6.02	-36.69
CC1C2=CC=CN=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301378	1	50	-1.0	-42.70	374.30	6.03	-36.67
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301379	0	47	-1.0	-41.99	347.34	5.14	-36.85
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301379	1	47	-1.0	-41.97	347.31	5.13	-36.84
C(CC1=NN=C(N2CCCCCCCCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301380	0	56	-1.0	-43.96	389.02	8.57	-35.39
C(CC1=NN=C(N2CCCCCCCCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301380	1	56	-1.0	-43.96	389.10	8.57	-35.39
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCCCCCC2)N1C1CCOC1	REAL300020301381	0	53	-1.0	-45.62	369.72	7.57	-38.05
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCCCCCC2)N1C1CCOC1	REAL300020301381	1	53	-1.0	-45.69	369.81	7.57	-38.12
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301382	0	48	-1.0	-45.12	353.67	5.05	-40.07
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301382	1	48	-1.0	-45.09	353.73	5.06	-40.03
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301383	0	45	-1.0	-42.60	325.73	4.34	-38.26
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301383	1	45	-1.0	-42.61	325.67	4.34	-38.27
C[C@]12CC[C@H]1CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301384	0	52	-1.0	-41.17	387.25	8.27	-32.90
C[C@]12CC[C@H]1CCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301384	1	52	-1.0	-41.09	387.50	8.31	-32.78
O=C1NCCCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1(F)F	REAL300020301385	0	48	-1.0	-45.06	346.50	3.01	-42.05
O=C1NCCCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1(F)F	REAL300020301385	1	48	-1.0	-45.04	346.56	3.03	-42.01
C[C@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301386	0	45	-1.0	-38.30	356.53	5.18	-33.12
C[C@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301386	1	45	-1.0	-38.28	356.59	5.20	-33.08
C[C@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301387	0	42	-1.0	-44.88	329.00	4.17	-40.71
C[C@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301387	1	42	-1.0	-44.90	329.06	4.19	-40.71
C[C@H]1CSCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301388	0	49	-1.0	-40.31	388.55	7.70	-32.61
C[C@H]1CSCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301388	1	49	-1.0	-40.29	388.59	7.69	-32.60
C#CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301389	0	42	-1.0	-42.78	331.53	4.93	-37.85
C#CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301389	1	42	-1.0	-42.80	331.63	4.94	-37.86
C#CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301390	0	39	-1.0	-46.31	314.59	4.80	-41.51
C#CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301390	1	39	-1.0	-46.32	314.54	4.79	-41.53
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301391	0	46	-1.0	-43.27	365.47	8.24	-35.03
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301391	1	46	-1.0	-43.18	365.19	8.18	-35.00
FC1(F)CC2CC1N(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301392	0	45	-1.0	-46.25	336.25	4.07	-42.18
FC1(F)CC2CC1N(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301392	1	45	-1.0	-46.30	336.32	4.08	-42.22
FC1(F)CC2CC1N(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301393	0	42	-1.0	-49.31	317.84	3.56	-45.75
FC1(F)CC2CC1N(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301393	1	42	-1.0	-49.32	317.88	3.56	-45.76
CN(CC12CCC(CC1)C2)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301394	0	54	-1.0	-44.73	394.02	6.96	-37.77
CN(CC12CCC(CC1)C2)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301394	1	54	-1.0	-44.72	394.07	6.97	-37.75
CN(CC12CCC(CC1)C2)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301395	0	51	-1.0	-40.09	364.24	6.76	-33.33
CN(CC12CCC(CC1)C2)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301395	1	51	-1.0	-40.09	364.31	6.76	-33.33
CC(F)(F)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301396	0	50	-1.0	-44.95	386.66	7.77	-37.18
CC(F)(F)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301396	1	50	-1.0	-44.96	386.71	7.79	-37.17
CC(F)(F)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301397	0	47	-1.0	-45.95	353.34	5.37	-40.58
CC(F)(F)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301397	1	47	-1.0	-45.96	353.39	5.38	-40.58
FCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301398	0	53	-1.0	-45.96	399.22	7.37	-38.59
FCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301398	1	53	-1.0	-45.96	399.28	7.39	-38.57
FCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301399	0	50	-1.0	-44.00	377.56	7.42	-36.58
FCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301399	1	50	-1.0	-44.01	377.62	7.45	-36.56
CC1(C(F)(F)F)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301400	0	47	-1.0	-48.29	361.98	6.63	-41.66
CC1(C(F)(F)F)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301400	1	47	-1.0	-48.31	362.03	6.64	-41.67
C(C1=N[N-]N=N1)C1=NN=C(N2CCOC(C3CCCCC3)C2)N1C1CCOC1	REAL300020301401	0	55	-1.0	-45.89	401.23	6.45	-39.44
C(C1=NN=N[N-]1)C1=NN=C(N2CCOC(C3CCCCC3)C2)N1C1CCOC1	REAL300020301401	1	55	-1.0	-45.85	401.28	6.46	-39.39
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301402	0	48	-1.0	-49.82	367.80	1.86	-47.96
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301402	1	48	-1.0	-49.81	367.85	1.88	-47.93
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301403	0	45	-1.0	-52.09	342.67	0.96	-51.13
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301403	1	45	-1.0	-52.08	342.73	0.96	-51.12
FC(F)(F)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301404	0	47	-1.0	-46.11	356.71	6.08	-40.03
FC(F)(F)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301404	1	47	-1.0	-46.12	356.76	6.10	-40.02
OCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301405	0	48	-1.0	-47.83	368.12	2.62	-45.21
OCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301405	1	48	-1.0	-47.87	368.17	2.63	-45.24
OCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301406	0	45	-1.0	-48.11	342.52	1.63	-46.48
OCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301406	1	45	-1.0	-48.15	342.58	1.64	-46.51
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301407	0	51	-1.0	-45.04	392.67	6.22	-38.82
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301407	1	51	-1.0	-45.08	392.73	6.23	-38.85
CCOC(=O)C1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301408	0	48	-1.0	-52.61	370.58	5.24	-47.37
CCOC(=O)C1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301408	1	48	-1.0	-52.65	370.63	5.26	-47.39
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301409	0	51	-1.0	-42.08	395.18	7.84	-34.24
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301409	1	51	-1.0	-42.08	395.24	7.86	-34.22
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301410	0	48	-1.0	-44.41	372.87	8.06	-36.35
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301410	1	48	-1.0	-44.40	372.92	8.10	-36.30
CO[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301411	0	48	-1.0	-46.74	363.72	4.17	-42.57
CO[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301411	1	48	-1.0	-46.71	363.77	4.19	-42.52
CO[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301412	0	45	-1.0	-42.71	342.52	4.23	-38.48
CO[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301412	1	45	-1.0	-42.73	342.58	4.25	-38.48
CO[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020301413	0	52	-1.0	-42.81	399.87	8.08	-34.73
CO[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020301413	1	52	-1.0	-42.87	399.89	8.06	-34.81
COC(=O)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301414	0	48	-1.0	-45.23	381.00	5.68	-39.55
COC(=O)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301414	1	48	-1.0	-45.23	381.07	5.70	-39.53
COC(=O)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301415	0	45	-1.0	-52.36	348.85	4.36	-48.00
COC(=O)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301415	1	45	-1.0	-52.38	348.90	4.37	-48.01
CC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301416	0	48	-1.0	-41.22	361.46	4.11	-37.11
CC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301416	1	48	-1.0	-41.17	361.53	4.12	-37.05
CC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301417	0	45	-1.0	-43.53	337.03	3.02	-40.51
CC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301417	1	45	-1.0	-43.55	337.08	3.04	-40.51
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)CCO1	REAL300020301418	0	52	-1.0	-43.01	385.12	5.71	-37.30
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)CCO1	REAL300020301418	1	52	-1.0	-42.54	379.20	4.53	-38.01
CO[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301419	0	48	-1.0	-45.99	367.63	4.33	-41.66
CO[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301419	1	48	-1.0	-46.02	367.69	4.34	-41.68
CO[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301420	0	45	-1.0	-46.74	343.03	4.02	-42.72
CO[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301420	1	45	-1.0	-46.75	343.09	4.04	-42.71
CO[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2C2CCOC2)C1	REAL300020301421	0	52	-1.0	-42.32	396.15	7.67	-34.65
CO[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2C2CCOC2)C1	REAL300020301421	1	52	-1.0	-42.28	396.22	7.68	-34.60
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301422	0	49	-1.0	-41.80	368.28	1.92	-39.88
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301422	1	49	-1.0	-41.83	368.34	1.91	-39.92
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301423	0	46	-1.0	-42.57	356.07	2.84	-39.73
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301423	1	46	-1.0	-42.50	356.13	2.86	-39.64
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301424	0	49	-1.0	-42.47	374.94	2.51	-39.96
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301424	1	49	-1.0	-42.46	375.00	2.52	-39.94
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCO1	REAL300020301425	0	46	-1.0	-41.65	349.65	2.03	-39.62
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCO1	REAL300020301425	1	46	-1.0	-41.66	349.72	2.03	-39.63
C1=CC2(CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)OC1	REAL300020301426	0	50	-1.0	-41.50	382.82	5.79	-35.71
C1=CC2(CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)OC1	REAL300020301426	1	50	-1.0	-41.53	382.87	5.81	-35.72
C1=CC2(CCCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)OC1	REAL300020301427	0	47	-1.0	-43.58	351.30	4.45	-39.13
C1=CC2(CCCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)OC1	REAL300020301427	1	47	-1.0	-43.49	351.23	4.42	-39.07
CC1(C)C=CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301428	0	45	-1.0	-41.94	330.80	4.40	-37.54
CC1(C)C=CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301428	1	45	-1.0	-41.94	330.87	4.40	-37.54
CC1(C)C=CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301429	0	42	-1.0	-45.80	319.91	4.03	-41.77
CC1(C)C=CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301429	1	42	-1.0	-45.82	319.86	4.02	-41.80
CC1(C)C=CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301430	0	49	-1.0	-41.28	363.28	6.35	-34.93
CC1(C)C=CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301430	1	49	-1.0	-41.23	363.32	6.34	-34.89
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301431	0	50	-1.0	-45.90	379.56	2.39	-43.51
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301431	1	50	-1.0	-45.97	379.61	2.40	-43.57
CC1NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301432	0	47	-1.0	-44.56	357.86	1.62	-42.94
CC1NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301432	1	47	-1.0	-44.57	357.93	1.65	-42.92
C(C1=N[N-]N=N1)C1=NN=C(N(CC2CCOCC2)C2CCC2)N1C1CCOC1	REAL300020301433	0	55	-1.0	-48.18	401.02	6.01	-42.17
C(C1=NN=N[N-]1)C1=NN=C(N(CC2CCOCC2)C2CCC2)N1C1CCOC1	REAL300020301433	1	55	-1.0	-48.20	401.07	6.02	-42.18
O=C1N[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]2O1	REAL300020301434	0	47	-1.0	-55.43	361.88	1.31	-54.12
O=C1N[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]2O1	REAL300020301434	1	47	-1.0	-55.42	361.93	1.32	-54.10
O=C1N[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]2O1	REAL300020301435	0	44	-1.0	-56.50	341.38	1.21	-55.29
O=C1N[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]2O1	REAL300020301435	1	44	-1.0	-56.51	341.43	1.23	-55.28
CCOC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301436	0	53	-1.0	-43.35	407.86	6.72	-36.63
CCOC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301436	1	53	-1.0	-43.36	407.92	6.75	-36.61
C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301437	0	44	-1.0	-42.29	332.66	5.81	-36.48
C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301437	1	44	-1.0	-42.27	332.71	5.83	-36.44
C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301438	0	41	-1.0	-42.92	310.71	5.05	-37.87
C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301438	1	41	-1.0	-42.89	310.62	5.04	-37.85
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301439	0	48	-1.0	-42.21	364.66	7.74	-34.47
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301439	1	48	-1.0	-42.18	364.64	7.69	-34.49
CC(C)(C)OC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301440	0	53	-1.0	-45.29	394.28	6.32	-38.97
CC(C)(C)OC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301440	1	53	-1.0	-45.31	394.32	6.33	-38.98
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC(C)(C)O1	REAL300020301441	0	51	-1.0	-49.20	394.81	5.42	-43.78
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC(C)(C)O1	REAL300020301441	1	51	-1.0	-49.19	394.86	5.44	-43.75
C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301442	0	44	-1.0	-42.29	332.66	5.81	-36.48
C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301442	1	44	-1.0	-42.27	332.71	5.83	-36.44
C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301443	0	41	-1.0	-42.92	310.71	5.05	-37.87
C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301443	1	41	-1.0	-42.89	310.62	5.04	-37.85
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301444	0	48	-1.0	-42.21	364.66	7.74	-34.47
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301444	1	48	-1.0	-42.18	364.64	7.69	-34.49
FC1(F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2(CCC2)C1	REAL300020301445	0	51	-1.0	-40.59	385.41	6.86	-33.73
FC1(F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2(CCC2)C1	REAL300020301445	1	51	-1.0	-40.54	385.46	6.88	-33.66
FC1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2(CCC2)C1	REAL300020301446	0	48	-1.0	-44.27	364.86	6.80	-37.47
FC1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2(CCC2)C1	REAL300020301446	1	48	-1.0	-44.25	364.91	6.81	-37.44
CP(C)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301447	0	53	-1.0	-51.67	411.06	4.79	-46.88
CP(C)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301447	1	53	-1.0	-51.65	411.12	4.80	-46.85
CP(C)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301448	0	50	-1.0	-47.17	383.99	4.05	-43.12
CP(C)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301448	1	50	-1.0	-47.18	384.05	4.06	-43.12
COC(=O)C1CC2CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301449	0	51	-1.0	-44.33	377.21	6.64	-37.69
COC(=O)C1CC2CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301449	1	51	-1.0	-44.36	377.28	6.65	-37.71
CC(C)(C)OCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC1	REAL300020301450	0	57	-1.0	-44.99	416.83	6.11	-38.88
CC(C)(C)OCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC1	REAL300020301450	1	57	-1.0	-44.96	416.90	6.12	-38.84
CC(C)(C)OCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301451	0	57	-1.0	-40.13	422.59	7.09	-33.04
CC(C)(C)OCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301451	1	57	-1.0	-40.10	422.64	7.12	-32.98
CP(C)(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301452	0	53	-1.0	-48.10	413.10	4.67	-43.43
CP(C)(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301452	1	53	-1.0	-48.04	413.16	4.69	-43.35
CP(C)(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301453	0	50	-1.0	-51.31	391.95	4.35	-46.96
CP(C)(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301453	1	50	-1.0	-51.30	392.02	4.37	-46.93
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2CCCCN12	REAL300020301454	0	52	-1.0	-42.10	388.44	4.76	-37.34
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2CCCCN12	REAL300020301454	1	52	-1.0	-42.10	388.50	4.77	-37.33
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2CCCCN12	REAL300020301455	0	49	-1.0	-43.43	371.48	4.81	-38.62
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2CCCCN12	REAL300020301455	1	49	-1.0	-43.44	371.56	4.84	-38.60
C1=CC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)OC1	REAL300020301456	0	50	-1.0	-41.81	382.39	6.51	-35.30
C1=CC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)OC1	REAL300020301456	1	50	-1.0	-41.85	382.45	6.52	-35.33
C1=CC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)OC1	REAL300020301457	0	47	-1.0	-44.15	348.76	4.45	-39.70
C1=CC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)OC1	REAL300020301457	1	47	-1.0	-44.16	348.82	4.45	-39.71
CCN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301458	0	54	-1.0	-41.50	403.39	5.10	-36.40
CCN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301458	1	54	-1.0	-41.49	403.50	5.10	-36.39
CCN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301459	0	51	-1.0	-46.58	381.18	4.86	-41.72
CCN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301459	1	51	-1.0	-46.63	381.23	4.86	-41.77
CC1=CSC(CCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020301460	0	49	-1.0	-43.93	392.89	5.16	-38.77
CC1=CSC(CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020301460	1	49	-1.0	-43.90	392.95	5.16	-38.74
CC1=CSC(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020301461	0	46	-1.0	-44.24	376.63	5.60	-38.64
CC1=CSC(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020301461	1	46	-1.0	-44.21	376.68	5.62	-38.59
O=S1(=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCCCN1	REAL300020301462	0	49	-1.0	-50.19	367.25	0.19	-50.00
O=S1(=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCCCN1	REAL300020301462	1	49	-1.0	-50.29	367.34	0.19	-50.10
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@H]2C1	REAL300020301463	0	51	-1.0	-52.18	386.32	6.00	-46.18
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@H]2C1	REAL300020301463	1	51	-1.0	-52.21	386.37	6.01	-46.20
C(CC1=NN=C(N2CCC3(C2)CCCCO3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301464	0	52	-1.0	-43.57	376.71	4.67	-38.90
C(CC1=NN=C(N2CCC3(C2)CCCCO3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301464	1	52	-1.0	-43.57	376.77	4.68	-38.89
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3(C2)CCCCO3)N1C1CCOC1	REAL300020301465	0	49	-1.0	-47.93	357.48	4.19	-43.74
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3(C2)CCCCO3)N1C1CCOC1	REAL300020301465	1	49	-1.0	-47.94	357.53	4.20	-43.74
FC(F)(F)C1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301466	0	44	-1.0	-40.64	355.82	5.89	-34.75
FC(F)(F)C1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301466	1	44	-1.0	-40.61	355.87	5.91	-34.70
FC(F)(F)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301467	0	41	-1.0	-47.23	330.72	5.00	-42.23
FC(F)(F)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301467	1	41	-1.0	-47.24	330.78	5.00	-42.24
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C[C@@H]21	REAL300020301468	0	49	-1.0	-54.72	372.84	3.52	-51.20
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C[C@@H]21	REAL300020301468	1	49	-1.0	-54.71	372.90	3.54	-51.17
CC1(C)NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301469	0	50	-1.0	-47.37	369.68	1.99	-45.38
CC1(C)NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301469	1	50	-1.0	-47.33	369.74	1.99	-45.34
C1=CCC2(CCOCC2)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301470	0	53	-1.0	-48.16	358.04	4.36	-43.80
C1=CCC2(CCOCC2)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301470	1	53	-1.0	-48.16	358.14	4.38	-43.78
OC[C@]12CCCC[C@@H]1N(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CCC2	REAL300020301471	0	55	-1.0	-44.52	390.79	3.39	-41.13
OC[C@]12CCCC[C@@H]1N(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CCC2	REAL300020301471	1	55	-1.0	-44.57	390.85	3.41	-41.16
OC[C@]12CCC[C@H]1N(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CCC2	REAL300020301472	0	55	-1.0	-41.21	396.15	3.58	-37.63
OC[C@]12CCC[C@H]1N(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CCC2	REAL300020301472	1	55	-1.0	-41.26	396.21	3.59	-37.67
OC[C@]12CCC[C@H]1N(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CCC2	REAL300020301473	0	52	-1.0	-46.09	377.71	4.18	-41.91
OC[C@]12CCC[C@H]1N(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CCC2	REAL300020301473	1	52	-1.0	-46.09	377.76	4.20	-41.89
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020301474	0	47	-1.0	-43.60	379.36	7.88	-35.72
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020301474	1	47	-1.0	-43.59	379.31	7.86	-35.73
CCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020301475	0	44	-1.0	-45.87	355.25	7.03	-38.84
CCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020301475	1	44	-1.0	-45.89	355.19	7.01	-38.88
C(CC1=NN=C(N2CCC(C3=NOCC3)CC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301476	0	52	-1.0	-50.44	396.18	5.44	-45.00
C(CC1=NN=C(N2CCC(C3=NOCC3)CC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301476	1	52	-1.0	-50.39	396.23	5.46	-44.93
C(C1=N[N-]N=N1)C1=NN=C(N2CCC(C3=NOCC3)CC2)N1C1CCOC1	REAL300020301477	0	49	-1.0	-48.29	367.52	4.68	-43.61
C(C1=NN=N[N-]1)C1=NN=C(N2CCC(C3=NOCC3)CC2)N1C1CCOC1	REAL300020301477	1	49	-1.0	-48.30	367.58	4.69	-43.61
C(CC1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301478	0	46	-1.0	-43.11	336.63	6.42	-36.69
C(CC1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301478	1	46	-1.0	-43.12	336.69	6.43	-36.69
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1C1CCOC1	REAL300020301479	0	43	-1.0	-50.13	309.19	6.17	-43.96
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)N1C1CCOC1	REAL300020301479	1	43	-1.0	-50.16	309.24	6.19	-43.97
C1=CC(C2=NN=C(N3C[C@@H]4C[C@H]3[C@H]3C[C@H]34)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020301480	0	50	-1.0	-42.45	372.97	9.42	-33.03
C1=CC(C2=NN=C(N3C[C@@H]4C[C@H]3[C@H]3C[C@H]34)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020301480	1	50	-1.0	-42.07	384.63	9.29	-32.78
C1=CC=C2C(=C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C1CC2C1	REAL300020301481	0	52	-1.0	-44.07	383.73	9.22	-34.85
C1=CC=C2C(=C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C1CC2C1	REAL300020301481	1	52	-1.0	-44.06	383.78	9.24	-34.82
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C1CC2C1	REAL300020301482	0	49	-1.0	-43.14	355.55	8.44	-34.70
C1=CC=C2C(=C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C1CC2C1	REAL300020301482	1	49	-1.0	-43.10	355.49	8.43	-34.67
C1=CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)OC1	REAL300020301483	0	50	-1.0	-45.51	369.62	5.36	-40.15
C1=CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)OC1	REAL300020301483	1	50	-1.0	-45.52	369.70	5.36	-40.16
C1=CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)OC1	REAL300020301484	0	47	-1.0	-41.28	351.47	4.76	-36.52
C1=CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)OC1	REAL300020301484	1	47	-1.0	-41.24	351.53	4.79	-36.45
C(CC1=NN=C(N2CCOCCOCC2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301485	0	49	-1.0	-41.73	349.76	2.04	-39.69
C(CC1=NN=C(N2CCOCCOCC2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301485	1	49	-1.0	-41.69	349.82	2.06	-39.63
C(C1=N[N-]N=N1)C1=NN=C(N2CCOCCOCC2)N1C1CCOC1	REAL300020301486	0	46	-1.0	-41.60	321.33	1.34	-40.26
C(C1=NN=N[N-]1)C1=NN=C(N2CCOCCOCC2)N1C1CCOC1	REAL300020301486	1	46	-1.0	-41.58	321.41	1.34	-40.24
C(C1=N[N-]N=N1)C1=NN=C(N2CCCCC3(CCOCC3)C2)N1C1CCOC1	REAL300020301487	0	55	-1.0	-48.01	384.41	6.29	-41.72
C(C1=NN=N[N-]1)C1=NN=C(N2CCCCC3(CCOCC3)C2)N1C1CCOC1	REAL300020301487	1	55	-1.0	-48.00	384.46	6.30	-41.70
CCCOC(=O)NCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301488	0	54	-1.0	-50.37	423.74	3.74	-46.63
CCCOC(=O)NCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301488	1	54	-1.0	-50.38	423.80	3.76	-46.62
C1=CCC2(CC2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301489	0	49	-1.0	-41.34	364.69	6.67	-34.67
C1=CCC2(CC2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301489	1	49	-1.0	-41.35	364.75	6.69	-34.66
C1=CCC2(CC2)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301490	0	46	-1.0	-45.77	341.92	6.70	-39.07
C1=CCC2(CC2)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301490	1	46	-1.0	-45.79	341.87	6.70	-39.09
CN(C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020301491	0	51	-1.0	-45.83	392.67	8.14	-37.69
CN(C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020301491	1	51	-1.0	-45.84	392.73	8.16	-37.68
CN(C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020301492	0	48	-1.0	-47.10	375.90	7.89	-39.21
CN(C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020301492	1	48	-1.0	-47.12	375.95	7.91	-39.21
CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301493	0	53	-1.0	-47.34	395.85	7.90	-39.44
CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301493	1	53	-1.0	-47.33	395.91	7.91	-39.42
C(CC1=NN=C(N2CCC3CCCCC32)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301494	0	51	-1.0	-45.10	375.09	6.54	-38.56
C(CC1=NN=C(N2CCC3CCCCC32)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301494	1	51	-1.0	-45.10	375.15	6.55	-38.55
C(C1=N[N-]N=N1)C1=NN=C(N2CCC3CCCCC32)N1C1CCOC1	REAL300020301495	0	48	-1.0	-46.82	352.87	5.77	-41.05
C(C1=NN=N[N-]1)C1=NN=C(N2CCC3CCCCC32)N1C1CCOC1	REAL300020301495	1	48	-1.0	-46.80	352.92	5.77	-41.03
CCC(O)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301496	0	50	-1.0	-41.17	371.53	2.28	-38.89
CCC(O)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301496	1	50	-1.0	-41.20	371.58	2.29	-38.91
CCC(O)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301497	0	47	-1.0	-47.28	349.02	2.30	-44.98
CCC(O)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301497	1	47	-1.0	-47.28	349.08	2.30	-44.98
CCC(O)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301498	0	54	-1.0	-40.80	418.87	5.95	-34.85
CCC(O)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301498	1	54	-1.0	-40.74	418.87	5.93	-34.81
CCN(CCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301499	0	50	-1.0	-44.22	375.19	1.76	-42.46
CCN(CCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301499	1	50	-1.0	-44.23	375.30	1.79	-42.44
CCN(CCCCO)C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301500	0	47	-1.0	-44.52	358.83	2.24	-42.28
CCN(CCCCO)C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301500	1	47	-1.0	-44.54	358.89	2.25	-42.29
CCN(CCCCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1C1CCOC1	REAL300020301501	0	54	-1.0	-43.95	414.47	5.08	-38.87
CCN(CCCCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1C1CCOC1	REAL300020301501	1	54	-1.0	-43.89	414.50	5.07	-38.82
C1=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=CC(OC2CCC2)=C1	REAL300020301502	0	52	-1.0	-41.07	409.54	8.83	-32.24
C1=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=CC(OC2CCC2)=C1	REAL300020301502	1	52	-1.0	-41.07	409.48	8.82	-32.25
C1=CC(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=CC(OC2CCC2)=C1	REAL300020301503	0	49	-1.0	-47.40	390.78	8.12	-39.28
C1=CC(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=CC(OC2CCC2)=C1	REAL300020301503	1	49	-1.0	-47.37	390.72	8.10	-39.27
CN1C(=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)[C@H]2C[C@H]21	REAL300020301504	0	46	-1.0	-57.36	355.44	2.76	-54.60
CN1C(=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)[C@H]2C[C@H]21	REAL300020301504	1	46	-1.0	-57.35	355.50	2.77	-54.58
CN1C(=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)[C@H]2C[C@H]21	REAL300020301505	0	43	-1.0	-60.20	330.43	2.64	-57.56
CN1C(=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)[C@H]2C[C@H]21	REAL300020301505	1	43	-1.0	-60.16	330.38	2.62	-57.54
CC1=NOC2(C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020301506	0	52	-1.0	-46.78	400.34	6.69	-40.09
CC1=NOC2(C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020301506	1	52	-1.0	-46.80	400.41	6.70	-40.10
CC1=NOC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)CC2	REAL300020301507	0	49	-1.0	-53.55	373.85	5.32	-48.23
CC1=NOC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)CC2	REAL300020301507	1	49	-1.0	-53.52	373.93	5.32	-48.20
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CCC1(F)F	REAL300020301508	0	48	-1.0	-45.04	366.03	6.31	-38.73
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CCC1(F)F	REAL300020301508	1	48	-1.0	-45.02	366.09	6.32	-38.70
COC(=O)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301509	0	53	-1.0	-46.67	406.35	6.40	-40.27
COC(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301509	1	53	-1.0	-46.62	406.40	6.41	-40.21
COC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301510	0	50	-1.0	-54.11	384.43	5.98	-48.13
COC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301510	1	50	-1.0	-54.09	384.52	5.99	-48.10
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1C1CCOC1	REAL300020301511	0	51	-1.0	-46.46	386.89	7.81	-38.65
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1C1CCOC1	REAL300020301511	1	51	-1.0	-46.51	386.95	7.82	-38.69
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1C1CCOC1	REAL300020301512	0	48	-1.0	-43.97	358.23	5.80	-38.17
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1C1CCOC1	REAL300020301512	1	48	-1.0	-43.94	358.17	5.80	-38.14
O=C1NC2=C(CN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)C2)C(=O)N1	REAL300020301513	0	45	-1.0	-47.03	361.37	0.45	-46.58
O=C1NC2=C(CN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)C2)C(=O)N1	REAL300020301513	1	45	-1.0	-47.03	361.42	0.47	-46.56
O=C1NC2=C(CN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)C(=O)N1	REAL300020301514	0	42	-1.0	-49.53	337.36	-0.03	-49.56
O=C1NC2=C(CN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)C(=O)N1	REAL300020301514	1	42	-1.0	-49.51	337.31	-0.05	-49.56
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)CC2COCCN12	REAL300020301515	0	50	-1.0	-42.21	378.57	2.35	-39.86
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)CC2COCCN12	REAL300020301515	1	50	-1.0	-42.21	378.63	2.36	-39.85
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)CC2COCCN12	REAL300020301516	0	47	-1.0	-46.97	359.12	2.37	-44.60
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)CC2COCCN12	REAL300020301516	1	47	-1.0	-47.02	359.17	2.39	-44.63
FC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301517	0	45	-1.0	-42.31	347.60	6.75	-35.56
FC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301517	1	45	-1.0	-42.30	347.66	6.77	-35.53
FC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1C1CCOC1)C2	REAL300020301518	0	42	-1.0	-44.40	322.80	5.81	-38.59
FC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1C1CCOC1)C2	REAL300020301518	1	42	-1.0	-44.38	322.85	5.83	-38.55
FC12CC(C1)CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1C1CCOC1)C2	REAL300020301519	0	49	-1.0	-42.07	375.67	9.27	-32.80
FC12CC(C1)CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1C1CCOC1)C2	REAL300020301519	1	49	-1.0	-42.39	378.12	8.84	-33.55
C(CC1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301520	0	43	-1.0	-48.85	325.52	2.25	-46.60
C(CC1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301520	1	43	-1.0	-48.85	325.59	2.27	-46.58
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1C1CCOC1	REAL300020301521	0	40	-1.0	-45.15	308.69	2.58	-42.57
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3C[C@@H]2CO3)N1C1CCOC1	REAL300020301521	1	40	-1.0	-45.12	308.63	2.55	-42.57
C1=CC(C2=NN=C(N3C[C@H]4C[C@@H]3CO4)N2C2CCOC2)=CC=C1C1=N[N-]N=N1	REAL300020301522	0	47	-1.0	-44.74	357.47	5.66	-39.08
C1=CC(C2=NN=C(N3C[C@H]4C[C@@H]3CO4)N2C2CCOC2)=CC=C1C1=NN=N[N-]1	REAL300020301522	1	47	-1.0	-44.71	357.51	5.66	-39.05
O=C1NCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3C3CCOC3)CC2)N1	REAL300020301523	0	51	-1.0	-54.13	384.57	1.29	-52.84
O=C1NCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3C3CCOC3)CC2)N1	REAL300020301523	1	51	-1.0	-54.11	384.63	1.31	-52.80
O=C1NCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)CC2)N1	REAL300020301524	0	48	-1.0	-56.35	364.15	1.07	-55.28
O=C1NCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)CC2)N1	REAL300020301524	1	48	-1.0	-56.43	364.25	1.09	-55.34
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1F	REAL300020301525	0	50	-1.0	-48.31	391.99	5.87	-42.44
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1F	REAL300020301525	1	50	-1.0	-48.34	392.05	5.88	-42.46
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1F	REAL300020301526	0	47	-1.0	-41.88	369.38	5.96	-35.92
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1F	REAL300020301526	1	47	-1.0	-41.89	369.44	5.99	-35.90
CC(C)CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020301527	0	50	-1.0	-43.61	399.19	8.66	-34.95
CC(C)CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020301527	1	50	-1.0	-43.66	399.13	8.65	-35.01
CC(C)CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)=N1	REAL300020301528	0	47	-1.0	-45.56	370.60	7.84	-37.72
CC(C)CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)=N1	REAL300020301528	1	47	-1.0	-45.58	370.55	7.82	-37.76
CC(=O)NCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301529	0	51	-1.0	-52.82	389.00	4.00	-48.82
CC(=O)NCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301529	1	51	-1.0	-52.77	389.06	4.03	-48.74
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C1	REAL300020301530	0	48	-1.0	-54.03	366.91	2.53	-51.50
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C1	REAL300020301530	1	48	-1.0	-54.05	366.95	2.55	-51.50
C(CC1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1C1CCOC1)C1=N[N-]N=N1	REAL300020301531	0	47	-1.0	-47.31	354.41	2.85	-44.46
C(CC1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1C1CCOC1)C1=NN=N[N-]1	REAL300020301531	1	47	-1.0	-47.29	354.47	2.86	-44.43
C(C1=N[N-]N=N1)C1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1C1CCOC1	REAL300020301532	0	44	-1.0	-49.80	328.42	2.68	-47.12
C(C1=NN=N[N-]1)C1=NN=C(N2C[C@H]3OCCO[C@H]3C2)N1C1CCOC1	REAL300020301532	1	44	-1.0	-49.78	328.37	2.71	-47.07
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2C2CCOC2)C[C@H]1C(C)C	REAL300020301533	0	53	-1.0	-46.93	399.20	5.92	-41.01
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2C2CCOC2)C[C@H]1C(C)C	REAL300020301533	1	53	-1.0	-46.94	399.25	5.94	-41.00
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC=C2)=NO1	REAL300020301534	0	48	-1.0	-49.03	388.86	9.07	-39.96
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC=C2)=NO1	REAL300020301534	1	48	-1.0	-49.05	388.91	9.09	-39.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC=C2)=NO1	REAL300020301535	0	45	-1.0	-48.98	374.68	8.16	-40.82
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC=C2)=NO1	REAL300020301535	1	45	-1.0	-48.96	374.62	8.14	-40.82
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301536	0	51	-1.0	-46.19	409.38	9.90	-36.29
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301536	1	51	-1.0	-46.16	409.35	9.88	-36.28
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CCCCC2)=NO1	REAL300020301537	0	51	-1.0	-41.83	409.51	7.78	-34.05
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CCCCC2)=NO1	REAL300020301537	1	51	-1.0	-41.87	409.57	7.80	-34.07
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCCCC2)=NO1	REAL300020301538	0	48	-1.0	-43.87	382.61	7.06	-36.81
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCCCC2)=NO1	REAL300020301538	1	48	-1.0	-43.89	382.57	7.04	-36.85
CCSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301539	0	51	-1.0	-46.50	426.64	8.97	-37.53
CCSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301539	1	51	-1.0	-46.49	426.70	9.00	-37.49
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301540	0	53	-1.0	-42.67	420.33	8.42	-34.25
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301540	1	53	-1.0	-42.68	420.38	8.44	-34.24
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301541	0	50	-1.0	-45.95	394.88	7.76	-38.19
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301541	1	50	-1.0	-45.92	394.82	7.73	-38.19
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCC3=CC=CC=C32)=NO1	REAL300020301542	0	49	-1.0	-52.35	392.59	9.64	-42.71
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCC3=CC=CC=C32)=NO1	REAL300020301542	1	49	-1.0	-52.34	392.54	9.63	-42.71
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CC2)OCCO3)=NO1	REAL300020301543	0	48	-1.0	-50.90	385.62	5.37	-45.53
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CC2)OCCO3)=NO1	REAL300020301543	1	48	-1.0	-50.93	385.68	5.40	-45.53
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCSCC2)=NO1	REAL300020301544	0	43	-1.0	-47.41	367.17	7.31	-40.10
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCSCC2)=NO1	REAL300020301544	1	43	-1.0	-47.43	367.23	7.33	-40.10
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCSCC2)=NO1	REAL300020301545	0	40	-1.0	-42.74	348.03	6.29	-36.45
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCSCC2)=NO1	REAL300020301545	1	40	-1.0	-42.74	347.98	6.27	-36.47
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C(C)C	REAL300020301546	0	47	-1.0	-50.17	371.61	6.56	-43.61
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C(C)C	REAL300020301546	1	47	-1.0	-50.18	371.66	6.57	-43.61
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C(C)C	REAL300020301547	0	44	-1.0	-45.08	354.38	5.64	-39.44
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C(C)C	REAL300020301547	1	44	-1.0	-45.07	354.34	5.63	-39.44
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1)C(C)C	REAL300020301548	0	51	-1.0	-43.16	405.93	8.03	-35.13
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1)C(C)C	REAL300020301548	1	51	-1.0	-43.15	405.94	8.02	-35.13
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(CO)CC2)=NO1	REAL300020301549	0	49	-1.0	-49.67	392.89	4.58	-45.09
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(CO)CC2)=NO1	REAL300020301549	1	49	-1.0	-49.67	392.95	4.60	-45.07
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CO)CC2)=NO1	REAL300020301550	0	46	-1.0	-47.15	379.67	3.87	-43.28
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CO)CC2)=NO1	REAL300020301550	1	46	-1.0	-47.14	379.63	3.85	-43.29
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CC2=CC=CO2)C(C)C)=NO1	REAL300020301551	0	51	-1.0	-42.68	412.71	8.60	-34.08
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CC2=CC=CO2)C(C)C)=NO1	REAL300020301551	1	51	-1.0	-42.68	412.77	8.61	-34.07
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2=CC=CO2)C(C)C)=NO1	REAL300020301552	0	48	-1.0	-47.20	391.92	7.45	-39.75
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2=CC=CO2)C(C)C)=NO1	REAL300020301552	1	48	-1.0	-47.15	391.86	7.42	-39.73
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C(C)C2=CC=CC=C2F)=NO1	REAL300020301553	0	48	-1.0	-51.17	393.05	9.09	-42.08
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C(C)C2=CC=CC=C2F)=NO1	REAL300020301553	1	48	-1.0	-51.21	392.99	9.06	-42.15
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CC2CCOC2)C2CC2)=NO1	REAL300020301554	0	53	-1.0	-41.68	436.17	7.46	-34.22
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CC2CCOC2)C2CC2)=NO1	REAL300020301554	1	53	-1.0	-41.69	436.22	7.47	-34.22
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2CCOC2)C2CC2)=NO1	REAL300020301555	0	50	-1.0	-44.24	400.90	6.44	-37.80
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2CCOC2)C2CC2)=NO1	REAL300020301555	1	50	-1.0	-44.22	400.94	6.46	-37.76
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2=CC=CS2)C2CC2)=NO1	REAL300020301556	0	46	-1.0	-47.92	397.64	8.88	-39.04
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2=CC=CS2)C2CC2)=NO1	REAL300020301556	1	46	-1.0	-47.94	397.61	8.85	-39.09
CCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301557	0	57	-1.0	-43.14	437.80	9.32	-33.82
CCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301557	1	57	-1.0	-43.14	437.86	9.33	-33.81
CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301558	0	54	-1.0	-47.18	412.51	8.52	-38.66
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301558	1	54	-1.0	-47.20	412.57	8.55	-38.65
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CCCC(C)C2)=NO1	REAL300020301559	0	54	-1.0	-48.75	405.44	8.61	-40.14
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CCCC(C)C2)=NO1	REAL300020301559	1	54	-1.0	-48.77	405.50	8.62	-40.15
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCCC(C)C2)=NO1	REAL300020301560	0	51	-1.0	-43.98	396.39	7.43	-36.55
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCCC(C)C2)=NO1	REAL300020301560	1	51	-1.0	-43.99	396.35	7.41	-36.58
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C(C)C2=CC=CO2)=NO1	REAL300020301561	0	48	-1.0	-40.52	397.62	7.82	-32.70
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C(C)C2=CC=CO2)=NO1	REAL300020301561	1	48	-1.0	-40.53	397.68	7.84	-32.69
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C(C)C2=CC=CO2)=NO1	REAL300020301562	0	45	-1.0	-52.33	373.94	6.79	-45.54
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C(C)C2=CC=CO2)=NO1	REAL300020301562	1	45	-1.0	-52.37	373.88	6.76	-45.61
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)C2C)=NO1	REAL300020301563	0	48	-1.0	-42.23	376.93	8.18	-34.05
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)C2C)=NO1	REAL300020301563	1	48	-1.0	-42.21	376.99	8.19	-34.02
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)C2C)=NO1	REAL300020301564	0	45	-1.0	-44.74	350.51	7.47	-37.27
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)C2C)=NO1	REAL300020301564	1	45	-1.0	-44.72	350.47	7.44	-37.28
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCCCCCC32)=NO1	REAL300020301565	0	55	-1.0	-51.19	412.93	7.61	-43.58
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCCCCCC32)=NO1	REAL300020301565	1	55	-1.0	-51.18	412.99	7.63	-43.55
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCCCCCC32)=NO1	REAL300020301566	0	52	-1.0	-50.77	400.07	8.18	-42.59
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCCCCCC32)=NO1	REAL300020301566	1	52	-1.0	-50.74	400.13	8.21	-42.53
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C(C)C2=CC=CC=C2C)=NO1	REAL300020301567	0	51	-1.0	-45.53	402.63	9.66	-35.87
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C(C)C2=CC=CC=C2C)=NO1	REAL300020301567	1	51	-1.0	-45.49	402.58	9.65	-35.84
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2CCCCC2)=NO1	REAL300020301568	0	55	-1.0	-45.35	412.89	10.26	-35.09
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2CCCCC2)=NO1	REAL300020301568	1	55	-1.0	-45.38	412.93	10.27	-35.11
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2=CSC=C2)=NO1	REAL300020301569	0	46	-1.0	-44.70	402.94	8.55	-36.15
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2=CSC=C2)=NO1	REAL300020301569	1	46	-1.0	-44.72	402.88	8.52	-36.20
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301570	0	51	-1.0	-47.78	417.75	9.53	-38.25
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301570	1	51	-1.0	-47.80	417.69	9.51	-38.29
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C(C)C	REAL300020301571	0	56	-1.0	-50.29	436.11	8.87	-41.42
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C(C)C	REAL300020301571	1	56	-1.0	-50.28	436.17	8.88	-41.40
CCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C(C)C	REAL300020301572	0	53	-1.0	-45.33	403.45	8.45	-36.88
CCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C(C)C	REAL300020301572	1	53	-1.0	-45.37	403.38	8.44	-36.93
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2=CC=CS2)C(C)C)=NO1	REAL300020301573	0	48	-1.0	-47.02	393.84	8.30	-38.72
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2=CC=CS2)C(C)C)=NO1	REAL300020301573	1	48	-1.0	-47.00	393.78	8.27	-38.73
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCS(=O)(=O)C2)=NO1	REAL300020301574	0	45	-1.0	-57.19	390.41	2.77	-54.42
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCS(=O)(=O)C2)=NO1	REAL300020301574	1	45	-1.0	-57.18	390.47	2.79	-54.39
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CCC(C)CC2)=NO1	REAL300020301575	0	54	-1.0	-49.64	417.05	8.29	-41.35
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CCC(C)CC2)=NO1	REAL300020301575	1	54	-1.0	-49.64	417.11	8.30	-41.34
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCC(C)CC2)=NO1	REAL300020301576	0	51	-1.0	-48.52	401.34	7.43	-41.09
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCC(C)CC2)=NO1	REAL300020301576	1	51	-1.0	-48.51	401.28	7.40	-41.11
CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301577	0	48	-1.0	-43.11	410.70	8.20	-34.91
CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301577	1	48	-1.0	-43.09	410.75	8.22	-34.87
CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301578	0	45	-1.0	-49.58	381.14	6.96	-42.62
CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301578	1	45	-1.0	-49.58	381.08	6.94	-42.64
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCCC32)=NO1	REAL300020301579	0	46	-1.0	-48.66	378.42	7.54	-41.12
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCCC32)=NO1	REAL300020301579	1	46	-1.0	-48.62	378.48	7.56	-41.06
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCCC32)=NO1	REAL300020301580	0	43	-1.0	-54.56	347.96	7.52	-47.04
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCCC32)=NO1	REAL300020301580	1	43	-1.0	-54.55	347.91	7.52	-47.03
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C(C)(C)C)CC2)=NO1	REAL300020301581	0	57	-1.0	-43.99	429.66	8.91	-35.08
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C(C)(C)C)CC2)=NO1	REAL300020301581	1	57	-1.0	-43.95	429.71	8.93	-35.02
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(C(C)C)CC2)=NO1	REAL300020301582	0	57	-1.0	-47.31	426.56	9.47	-37.84
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(C(C)C)CC2)=NO1	REAL300020301582	1	57	-1.0	-47.37	426.62	9.48	-37.89
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C(C)C)CC2)=NO1	REAL300020301583	0	54	-1.0	-48.35	405.15	8.69	-39.66
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C(C)C)CC2)=NO1	REAL300020301583	1	54	-1.0	-48.36	405.21	8.71	-39.65
C#CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301584	0	43	-1.0	-41.06	369.20	7.14	-33.92
C#CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301584	1	43	-1.0	-41.10	369.26	7.16	-33.94
C#CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301585	0	40	-1.0	-45.86	347.50	6.37	-39.49
C#CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301585	1	40	-1.0	-45.87	347.44	6.36	-39.51
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1	REAL300020301586	0	47	-1.0	-46.27	396.39	9.28	-36.99
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1	REAL300020301586	1	47	-1.0	-46.21	396.44	9.27	-36.94
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(C)(C)CC2)=NO1	REAL300020301587	0	54	-1.0	-39.61	414.19	9.84	-29.77
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(C)(C)CC2)=NO1	REAL300020301587	1	54	-1.0	-39.61	414.25	9.86	-29.75
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C)(C)CC2)=NO1	REAL300020301588	0	51	-1.0	-46.11	379.52	8.20	-37.91
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C)(C)CC2)=NO1	REAL300020301588	1	51	-1.0	-46.10	379.47	8.19	-37.91
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC=C3C2C)=NO1	REAL300020301589	0	49	-1.0	-43.38	408.54	7.84	-35.54
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC=C3C2C)=NO1	REAL300020301589	1	49	-1.0	-43.39	408.59	7.85	-35.54
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC=C3C2C)=NO1	REAL300020301590	0	46	-1.0	-47.33	379.51	7.61	-39.72
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC=C3C2C)=NO1	REAL300020301590	1	46	-1.0	-47.27	379.47	7.58	-39.69
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCCCCO)=NO1	REAL300020301591	0	51	-1.0	-49.45	419.34	5.11	-44.34
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCCCCO)=NO1	REAL300020301591	1	51	-1.0	-49.45	419.40	5.12	-44.33
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCCCCO)=NO1	REAL300020301592	0	48	-1.0	-48.21	403.24	4.21	-44.00
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCCCCO)=NO1	REAL300020301592	1	48	-1.0	-48.20	403.30	4.25	-43.95
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)CCC2C)=NO1	REAL300020301593	0	51	-1.0	-48.04	412.72	7.68	-40.36
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)CCC2C)=NO1	REAL300020301593	1	51	-1.0	-48.03	412.78	7.70	-40.33
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)CCC2C)=NO1	REAL300020301594	0	48	-1.0	-53.28	382.24	7.66	-45.62
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)CCC2C)=NO1	REAL300020301594	1	48	-1.0	-53.26	382.20	7.66	-45.60
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC=CC=C3C2C)=NO1	REAL300020301595	0	49	-1.0	-53.82	397.32	9.04	-44.78
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC=CC=C3C2C)=NO1	REAL300020301595	1	49	-1.0	-53.78	397.29	9.02	-44.76
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301596	0	49	-1.0	-46.70	406.06	8.55	-38.15
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301596	1	49	-1.0	-46.72	406.12	8.56	-38.16
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301597	0	46	-1.0	-47.39	379.87	7.96	-39.43
C=CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301597	1	46	-1.0	-47.39	379.81	7.94	-39.45
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301598	0	49	-1.0	-50.42	422.53	8.35	-42.07
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301598	1	49	-1.0	-50.43	422.47	8.33	-42.10
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2=NN=CN2C)=NO1	REAL300020301599	0	48	-1.0	-49.09	403.24	8.27	-40.82
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2=NN=CN2C)=NO1	REAL300020301599	1	48	-1.0	-49.12	403.20	8.26	-40.86
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3=CC=CC=C32)=NO1	REAL300020301600	0	46	-1.0	-53.98	379.10	11.01	-42.97
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3=CC=CC=C32)=NO1	REAL300020301600	1	46	-1.0	-53.96	379.16	11.03	-42.93
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC=CC=C32)=NO1	REAL300020301601	0	43	-1.0	-60.06	349.87	10.72	-49.34
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC=CC=C32)=NO1	REAL300020301601	1	43	-1.0	-60.05	349.81	10.70	-49.35
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2=CC=C(C)C=C2)=NO1	REAL300020301602	0	48	-1.0	-44.15	388.62	11.27	-32.88
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2=CC=C(C)C=C2)=NO1	REAL300020301602	1	48	-1.0	-44.18	388.67	11.28	-32.90
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2=CC=C(C)C=C2)=NO1	REAL300020301603	0	45	-1.0	-52.47	384.92	9.43	-43.04
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2=CC=C(C)C=C2)=NO1	REAL300020301603	1	45	-1.0	-52.42	384.86	9.40	-43.02
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2=CC(C)=CC=C2)=NO1	REAL300020301604	0	48	-1.0	-49.79	401.44	10.19	-39.60
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2=CC(C)=CC=C2)=NO1	REAL300020301604	1	48	-1.0	-49.82	401.50	10.21	-39.61
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2=CC(C)=CC=C2)=NO1	REAL300020301605	0	45	-1.0	-47.70	362.19	10.60	-37.10
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2=CC(C)=CC=C2)=NO1	REAL300020301605	1	45	-1.0	-47.66	362.14	10.58	-37.08
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2=CC(C)=CC(C)=C2)=NO1	REAL300020301606	0	51	-1.0	-49.69	421.60	10.82	-38.87
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2=CC(C)=CC(C)=C2)=NO1	REAL300020301606	1	51	-1.0	-49.65	421.65	10.83	-38.82
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2=CC(C)=CC(C)=C2)=NO1	REAL300020301607	0	48	-1.0	-52.48	406.33	10.07	-42.41
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2=CC(C)=CC(C)=C2)=NO1	REAL300020301607	1	48	-1.0	-52.48	406.28	10.05	-42.43
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2=CC=CC(C)=C2C)=NO1	REAL300020301608	0	51	-1.0	-48.41	424.46	11.90	-36.51
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2=CC=CC(C)=C2C)=NO1	REAL300020301608	1	51	-1.0	-48.42	424.52	11.92	-36.50
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2=CC=CC(C)=C2C)=NO1	REAL300020301609	0	48	-1.0	-48.78	402.99	11.14	-37.64
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2=CC=CC(C)=C2C)=NO1	REAL300020301609	1	48	-1.0	-48.76	402.93	11.12	-37.64
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2=CC=CC(C(C)C)=C2)=NO1	REAL300020301610	0	51	-1.0	-47.17	400.99	11.84	-35.33
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2=CC=CC(C(C)C)=C2)=NO1	REAL300020301610	1	51	-1.0	-47.20	400.94	11.82	-35.38
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC(C)=C(C)C=C32)=NO1	REAL300020301611	0	49	-1.0	-50.12	396.40	11.77	-38.35
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC(C)=C(C)C=C32)=NO1	REAL300020301611	1	49	-1.0	-50.15	396.34	11.74	-38.41
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3=CC(C)=CC=C32)=NO1	REAL300020301612	0	49	-1.0	-45.57	399.41	11.90	-33.67
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3=CC(C)=CC=C32)=NO1	REAL300020301612	1	49	-1.0	-45.63	399.47	11.91	-33.72
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC(C)=CC=C32)=NO1	REAL300020301613	0	46	-1.0	-60.19	371.28	11.38	-48.81
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC(C)=CC=C32)=NO1	REAL300020301613	1	46	-1.0	-60.19	371.22	11.37	-48.82
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2=CC=C(C(C)C)C=C2)=NO1	REAL300020301614	0	51	-1.0	-47.77	422.93	10.68	-37.09
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2=CC=C(C(C)C)C=C2)=NO1	REAL300020301614	1	51	-1.0	-47.78	422.88	10.65	-37.13
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3(CC3)C3=CC=CC=C32)=NO1	REAL300020301615	0	47	-1.0	-49.77	390.57	11.84	-37.93
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3(CC3)C3=CC=CC=C32)=NO1	REAL300020301615	1	47	-1.0	-49.80	390.52	11.81	-37.99
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CCCO)CC2)=NO1	REAL300020301616	0	52	-1.0	-47.27	420.12	5.24	-42.03
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CCCO)CC2)=NO1	REAL300020301616	1	52	-1.0	-47.24	420.17	5.28	-41.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC(F)=CC=C3C2)=NO1	REAL300020301617	0	46	-1.0	-49.73	383.85	7.59	-42.14
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC(F)=CC=C3C2)=NO1	REAL300020301617	1	46	-1.0	-49.74	383.79	7.56	-42.18
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN3N=C(C)N=C3C2)=NO1	REAL300020301618	0	48	-1.0	-42.60	409.17	7.02	-35.58
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN3N=C(C)N=C3C2)=NO1	REAL300020301618	1	48	-1.0	-42.54	409.23	7.03	-35.51
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN3N=C(C)N=C3C2)=NO1	REAL300020301619	0	45	-1.0	-46.03	375.46	6.20	-39.83
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN3N=C(C)N=C3C2)=NO1	REAL300020301619	1	45	-1.0	-46.07	375.41	6.18	-39.89
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CCC2)=NO1	REAL300020301620	0	45	-1.0	-42.13	371.36	7.27	-34.86
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CCC2)=NO1	REAL300020301620	1	45	-1.0	-42.12	371.42	7.28	-34.84
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCC2)=NO1	REAL300020301621	0	42	-1.0	-45.70	350.52	6.66	-39.04
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCC2)=NO1	REAL300020301621	1	42	-1.0	-45.72	350.48	6.63	-39.09
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N(C)C2CCC2)=NO1	REAL300020301622	0	49	-1.0	-48.99	399.94	9.67	-39.32
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N(C)C2CCC2)=NO1	REAL300020301622	1	49	-1.0	-48.99	399.97	9.66	-39.33
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)C3CCCCC32)=NO1	REAL300020301623	0	55	-1.0	-42.49	418.88	9.62	-32.87
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)C3CCCCC32)=NO1	REAL300020301623	1	55	-1.0	-42.49	418.94	9.63	-32.86
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)C3CCCCC32)=NO1	REAL300020301624	0	52	-1.0	-45.08	392.60	8.89	-36.19
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)C3CCCCC32)=NO1	REAL300020301624	1	52	-1.0	-45.07	392.55	8.88	-36.19
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)[C@@H](C)C2CCCCC2)=NO1	REAL300020301625	0	57	-1.0	-47.97	428.35	9.95	-38.02
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)[C@@H](C)C2CCCCC2)=NO1	REAL300020301625	1	57	-1.0	-47.98	428.40	9.97	-38.01
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)[C@@H](C)C2CCCCC2)=NO1	REAL300020301626	0	54	-1.0	-45.17	409.95	8.04	-37.13
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)[C@@H](C)C2CCCCC2)=NO1	REAL300020301626	1	54	-1.0	-45.15	410.00	8.08	-37.07
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC=C(C)CC2)=NO1	REAL300020301627	0	46	-1.0	-41.41	385.58	7.85	-33.56
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC=C(C)CC2)=NO1	REAL300020301627	1	46	-1.0	-41.46	385.64	7.86	-33.60
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC=C(C)CC2)=NO1	REAL300020301628	0	43	-1.0	-48.81	352.03	7.00	-41.81
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC=C(C)CC2)=NO1	REAL300020301628	1	43	-1.0	-48.81	351.97	6.97	-41.84
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCSC(C)C2C)=NO1	REAL300020301629	0	49	-1.0	-40.69	408.16	7.17	-33.52
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCSC(C)C2C)=NO1	REAL300020301629	1	49	-1.0	-40.67	408.22	7.18	-33.49
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCSC(C)C2C)=NO1	REAL300020301630	0	46	-1.0	-50.77	372.29	7.63	-43.14
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCSC(C)C2C)=NO1	REAL300020301630	1	46	-1.0	-50.73	372.23	7.62	-43.11
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301631	0	48	-1.0	-48.43	393.05	7.56	-40.87
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301631	1	48	-1.0	-48.42	393.11	7.57	-40.85
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301632	0	45	-1.0	-43.55	356.20	7.30	-36.25
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301632	1	45	-1.0	-43.52	356.15	7.27	-36.25
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CCC(C)(C)CC2)=NO1	REAL300020301633	0	57	-1.0	-48.91	442.96	8.68	-40.23
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CCC(C)(C)CC2)=NO1	REAL300020301633	1	57	-1.0	-48.92	443.02	8.70	-40.22
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCC(C)(C)CC2)=NO1	REAL300020301634	0	54	-1.0	-45.54	421.99	7.88	-37.66
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCC(C)(C)CC2)=NO1	REAL300020301634	1	54	-1.0	-45.53	422.05	7.91	-37.62
C#CCN(CC#CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301635	0	45	-1.0	-42.99	399.34	8.49	-34.50
C#CCN(CC#CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301635	1	45	-1.0	-43.02	399.39	8.51	-34.51
C#CCN(CC#CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301636	0	42	-1.0	-45.55	372.66	7.77	-37.78
C#CCN(CC#CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301636	1	42	-1.0	-45.53	372.64	7.75	-37.78
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)=C(C)C2)=NO1	REAL300020301637	0	49	-1.0	-42.23	401.93	8.56	-33.67
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)=C(C)C2)=NO1	REAL300020301637	1	49	-1.0	-42.21	401.99	8.57	-33.64
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)=C(C)C2)=NO1	REAL300020301638	0	46	-1.0	-48.50	373.79	7.21	-41.29
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)=C(C)C2)=NO1	REAL300020301638	1	46	-1.0	-48.48	373.73	7.19	-41.29
CCN(CC1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301639	0	51	-1.0	-41.98	407.23	8.16	-33.82
CCN(CC1CCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301639	1	51	-1.0	-42.02	407.28	8.18	-33.84
CCN(CC1CCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301640	0	48	-1.0	-49.77	379.21	6.90	-42.87
CCN(CC1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301640	1	48	-1.0	-49.72	379.16	6.87	-42.85
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3C2C2CCC3C2)=NO1	REAL300020301641	0	50	-1.0	-48.79	398.40	8.61	-40.18
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3C2C2CCC3C2)=NO1	REAL300020301641	1	50	-1.0	-48.77	398.46	8.62	-40.15
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3C2C2CCC3C2)=NO1	REAL300020301642	0	47	-1.0	-54.75	367.88	8.59	-46.16
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3C2C2CCC3C2)=NO1	REAL300020301642	1	47	-1.0	-54.75	367.83	8.58	-46.17
CSCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301643	0	45	-1.0	-49.96	388.17	7.33	-42.63
CSCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301643	1	45	-1.0	-49.92	388.23	7.35	-42.57
CSCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301644	0	42	-1.0	-47.84	372.12	6.47	-41.37
CSCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301644	1	42	-1.0	-47.86	372.06	6.45	-41.41
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301645	0	54	-1.0	-47.05	423.49	9.16	-37.89
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301645	1	54	-1.0	-47.05	423.55	9.18	-37.87
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301646	0	51	-1.0	-43.43	402.63	8.43	-35.00
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301646	1	51	-1.0	-43.40	402.57	8.41	-34.99
CSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301647	0	49	-1.0	-45.58	396.75	8.38	-37.20
CSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301647	1	49	-1.0	-45.61	396.80	8.41	-37.20
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCCC(C)(C)C2)=NO1	REAL300020301648	0	54	-1.0	-48.53	404.86	10.01	-38.52
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCCC(C)(C)C2)=NO1	REAL300020301648	1	54	-1.0	-48.53	404.92	10.03	-38.50
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCC(C)(C)C2)=NO1	REAL300020301649	0	51	-1.0	-49.30	383.35	9.25	-40.05
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCC(C)(C)C2)=NO1	REAL300020301649	1	51	-1.0	-49.30	383.29	9.22	-40.08
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC2C2CCCO2)=NO1	REAL300020301650	0	53	-1.0	-41.06	412.05	7.13	-33.93
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC2C2CCCO2)=NO1	REAL300020301650	1	53	-1.0	-41.08	412.11	7.15	-33.93
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2CCCO2)=NO1	REAL300020301651	0	50	-1.0	-45.30	387.72	6.49	-38.81
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2CCCO2)=NO1	REAL300020301651	1	50	-1.0	-45.30	387.76	6.50	-38.80
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC=C(C(C)(C)C)CC2)=NO1	REAL300020301652	0	55	-1.0	-41.08	439.59	9.48	-31.60
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC=C(C(C)(C)C)CC2)=NO1	REAL300020301652	1	55	-1.0	-41.08	439.65	9.50	-31.58
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC=C(C(C)(C)C)CC2)=NO1	REAL300020301653	0	52	-1.0	-48.35	406.03	8.63	-39.72
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC=C(C(C)(C)C)CC2)=NO1	REAL300020301653	1	52	-1.0	-48.34	405.97	8.61	-39.73
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCOCC3)CC2)=NO1	REAL300020301654	0	53	-1.0	-47.76	411.61	6.64	-41.12
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCOCC3)CC2)=NO1	REAL300020301654	1	53	-1.0	-47.75	411.67	6.67	-41.08
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(=O)NC3CCCCC32)=NO1	REAL300020301655	0	50	-1.0	-54.22	398.25	4.24	-49.98
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(=O)NC3CCCCC32)=NO1	REAL300020301655	1	50	-1.0	-54.25	398.19	4.22	-50.03
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)=NO1	REAL300020301656	0	55	0.0	-74.79	420.73	9.36	-65.43
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[N@H+](C3CC3)CC2)=NO1	REAL300020301656	1	55	0.0	-73.44	419.76	9.14	-64.30
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)=NO1	REAL300020301656	1	55	0.0	-74.79	420.78	9.37	-65.42
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[N@H+](C3CC3)CC2)=NO1	REAL300020301656	1	55	0.0	-73.43	419.82	9.15	-64.28
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)=NO1	REAL300020301657	0	52	0.0	-58.85	413.25	8.64	-50.21
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[N@H+](C3CC3)CC2)=NO1	REAL300020301657	1	52	0.0	-58.47	394.57	8.53	-49.94
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[N@@H+](C3CC3)CC2)=NO1	REAL300020301657	1	52	0.0	-58.85	413.31	8.68	-50.17
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[N@H+](C3CC3)CC2)=NO1	REAL300020301657	1	52	0.0	-58.49	394.62	8.55	-49.94
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC2C2CCC2)=NO1	REAL300020301658	0	52	-1.0	-51.08	401.95	8.24	-42.84
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC2C2CCC2)=NO1	REAL300020301658	1	52	-1.0	-51.11	402.01	8.25	-42.86
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2CCC2)=NO1	REAL300020301659	0	49	-1.0	-53.50	380.81	6.71	-46.79
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2CCC2)=NO1	REAL300020301659	1	49	-1.0	-53.50	380.75	6.68	-46.82
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2CC2)C2CCCCC2)=NO1	REAL300020301660	0	55	-1.0	-50.92	431.98	9.18	-41.74
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2CC2)C2CCCCC2)=NO1	REAL300020301660	1	55	-1.0	-50.91	432.05	9.21	-41.70
C=CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CC1	REAL300020301661	0	46	-1.0	-49.34	373.72	7.58	-41.76
C=CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CC1	REAL300020301661	1	46	-1.0	-49.34	373.77	7.59	-41.75
C=CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CC1	REAL300020301662	0	43	-1.0	-49.29	342.78	6.83	-42.46
C=CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CC1	REAL300020301662	1	43	-1.0	-49.31	342.72	6.81	-42.50
COCC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301663	0	52	-1.0	-43.62	414.55	6.59	-37.03
COCC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301663	1	52	-1.0	-43.60	414.61	6.61	-36.99
CCC1C(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301664	0	51	-1.0	-49.27	397.79	7.57	-41.70
CCC1C(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301664	1	51	-1.0	-49.23	397.84	7.58	-41.65
CCC1C(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301665	0	48	-1.0	-45.86	378.49	6.96	-38.90
CCC1C(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301665	1	48	-1.0	-45.92	378.45	6.93	-38.99
COCC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301666	0	50	-1.0	-42.18	417.25	7.14	-35.04
COCC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301666	1	50	-1.0	-42.23	417.31	7.16	-35.07
COCC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301667	0	47	-1.0	-48.52	383.70	6.30	-42.22
COCC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301667	1	47	-1.0	-48.52	383.64	6.28	-42.24
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1C	REAL300020301668	0	51	-1.0	-42.65	401.02	8.50	-34.15
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1C	REAL300020301668	1	51	-1.0	-42.67	401.08	8.51	-34.16
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1C	REAL300020301669	0	48	-1.0	-50.13	378.20	7.54	-42.59
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1C	REAL300020301669	1	48	-1.0	-50.07	378.14	7.52	-42.55
CSCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301670	0	48	-1.0	-47.46	409.66	8.12	-39.34
CSCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301670	1	48	-1.0	-47.44	409.72	8.13	-39.31
CSCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301671	0	45	-1.0	-46.17	393.62	7.26	-38.91
CSCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301671	1	45	-1.0	-46.19	393.56	7.23	-38.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3=CC=CC=C3C2)=NO1	REAL300020301672	0	49	-1.0	-51.74	397.96	9.66	-42.08
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3=CC=CC=C3C2)=NO1	REAL300020301672	1	49	-1.0	-51.67	397.90	9.64	-42.03
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CCOC2)=NO1	REAL300020301673	0	46	-1.0	-49.08	370.59	5.43	-43.65
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CCOC2)=NO1	REAL300020301673	1	46	-1.0	-49.12	370.65	5.44	-43.68
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCOC2)=NO1	REAL300020301674	0	43	-1.0	-47.82	354.56	4.54	-43.28
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCOC2)=NO1	REAL300020301674	1	43	-1.0	-47.82	354.50	4.51	-43.31
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C(C)CC#N)=NO1	REAL300020301675	0	45	-1.0	-46.85	382.00	7.26	-39.59
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C(C)CC#N)=NO1	REAL300020301675	1	45	-1.0	-46.91	382.05	7.27	-39.64
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C(C)CC#N)=NO1	REAL300020301676	0	42	-1.0	-49.40	358.98	6.49	-42.91
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C(C)CC#N)=NO1	REAL300020301676	1	42	-1.0	-49.40	358.93	6.46	-42.94
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CCC#N)CC2CC2)=NO1	REAL300020301677	0	49	-1.0	-45.97	403.24	7.87	-38.10
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CCC#N)CC2CC2)=NO1	REAL300020301677	1	49	-1.0	-45.96	403.30	7.89	-38.07
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CCC#N)CC2CC2)=NO1	REAL300020301678	0	46	-1.0	-48.98	391.89	8.15	-40.83
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CCC#N)CC2CC2)=NO1	REAL300020301678	1	46	-1.0	-49.01	391.83	8.13	-40.88
COCCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301679	0	49	-1.0	-43.24	421.32	6.09	-37.15
COCCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301679	1	49	-1.0	-43.28	421.38	6.11	-37.17
COCCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301680	0	46	-1.0	-44.09	386.68	5.35	-38.74
COCCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301680	1	46	-1.0	-44.07	386.64	5.33	-38.74
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CCC#N)CCC(C)C)=NO1	REAL300020301681	0	54	-1.0	-43.99	442.19	8.66	-35.33
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CCC#N)CCC(C)C)=NO1	REAL300020301681	1	54	-1.0	-44.05	442.25	8.67	-35.38
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CCC#N)CCC(C)C)=NO1	REAL300020301682	0	51	-1.0	-43.58	410.30	8.00	-35.58
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CCC#N)CCC(C)C)=NO1	REAL300020301682	1	51	-1.0	-43.61	410.39	8.02	-35.59
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCNC(=O)CC2)=NO1	REAL300020301683	0	46	-1.0	-43.54	373.00	3.52	-40.02
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCNC(=O)CC2)=NO1	REAL300020301683	1	46	-1.0	-43.56	373.06	3.54	-40.02
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCNC(=O)CC2)=NO1	REAL300020301684	0	43	-1.0	-44.44	347.75	2.76	-41.68
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCNC(=O)CC2)=NO1	REAL300020301684	1	43	-1.0	-44.40	347.71	2.74	-41.66
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=C(C)C=CC=C3C2)=NO1	REAL300020301685	0	49	-1.0	-49.21	394.70	9.15	-40.06
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=C(C)C=CC=C3C2)=NO1	REAL300020301685	1	49	-1.0	-49.22	394.64	9.12	-40.10
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C(C)C2=CC=CS2)=NO1	REAL300020301686	0	48	-1.0	-40.84	397.62	8.71	-32.13
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C(C)C2=CC=CS2)=NO1	REAL300020301686	1	48	-1.0	-40.82	397.68	8.72	-32.10
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C(C)C2=CC=CS2)=NO1	REAL300020301687	0	45	-1.0	-50.24	383.15	7.84	-42.40
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C(C)C2=CC=CS2)=NO1	REAL300020301687	1	45	-1.0	-50.28	383.10	7.82	-42.46
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC=CCC2)=NO1	REAL300020301688	0	43	-1.0	-42.84	356.08	6.35	-36.49
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC=CCC2)=NO1	REAL300020301688	1	43	-1.0	-42.84	356.14	6.36	-36.48
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC=CCC2)=NO1	REAL300020301689	0	40	-1.0	-48.13	331.54	5.40	-42.73
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC=CCC2)=NO1	REAL300020301689	1	40	-1.0	-48.11	331.48	5.38	-42.73
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N2CC=CCC2)=NO1	REAL300020301690	0	47	-1.0	-47.94	379.56	9.07	-38.87
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N2CC=CCC2)=NO1	REAL300020301690	1	47	-1.0	-47.95	379.59	9.06	-38.89
CCC(CC)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301691	0	56	-1.0	-42.71	436.63	9.61	-33.10
CCC(CC)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301691	1	56	-1.0	-42.73	436.69	9.62	-33.11
CCC(CC)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301692	0	53	-1.0	-46.70	409.21	8.90	-37.80
CCC(CC)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301692	1	53	-1.0	-46.73	409.14	8.89	-37.84
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CCC(C)C)C2CC2)=NO1	REAL300020301693	0	54	-1.0	-48.20	437.23	9.44	-38.76
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CCC(C)C)C2CC2)=NO1	REAL300020301693	1	54	-1.0	-48.24	437.29	9.46	-38.78
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CCC(C)C)C2CC2)=NO1	REAL300020301694	0	51	-1.0	-43.55	414.13	8.85	-34.70
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CCC(C)C)C2CC2)=NO1	REAL300020301694	1	51	-1.0	-43.55	414.07	8.83	-34.72
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301695	0	49	-1.0	-47.24	406.80	8.93	-38.31
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301695	1	49	-1.0	-47.22	406.77	8.90	-38.32
COCCN(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301696	0	49	-1.0	-44.06	416.40	5.97	-38.09
COCCN(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301696	1	49	-1.0	-44.05	416.33	5.94	-38.11
COCCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301697	0	54	-1.0	-41.21	434.47	6.60	-34.61
COCCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301697	1	54	-1.0	-41.17	434.53	6.61	-34.56
COCCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301698	0	51	-1.0	-44.30	396.08	6.53	-37.77
COCCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301698	1	51	-1.0	-44.26	396.05	6.52	-37.74
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CC(C)C)C2CCCC2)=NO1	REAL300020301699	0	57	-1.0	-47.76	442.16	8.96	-38.80
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CC(C)C)C2CCCC2)=NO1	REAL300020301699	1	57	-1.0	-47.79	442.22	8.97	-38.82
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC(C)C)C2CCCC2)=NO1	REAL300020301700	0	54	-1.0	-44.69	417.26	9.03	-35.66
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC(C)C)C2CCCC2)=NO1	REAL300020301700	1	54	-1.0	-44.70	417.20	9.01	-35.69
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CCC(C)C)C2CCCC2)=NO1	REAL300020301701	0	57	-1.0	-44.96	442.80	9.25	-35.71
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CCC(C)C)C2CCCC2)=NO1	REAL300020301701	1	57	-1.0	-44.95	442.84	9.27	-35.68
CCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301702	0	48	-1.0	-48.47	418.87	8.69	-39.78
CCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301702	1	48	-1.0	-48.48	418.81	8.66	-39.82
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOCC2C)=NO1	REAL300020301703	0	46	-1.0	-41.75	379.39	5.09	-36.66
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOCC2C)=NO1	REAL300020301703	1	46	-1.0	-41.77	379.45	5.11	-36.66
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOCC2C)=NO1	REAL300020301704	0	43	-1.0	-53.91	337.71	5.46	-48.45
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOCC2C)=NO1	REAL300020301704	1	43	-1.0	-53.89	337.68	5.44	-48.45
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CC(C)C)C(C)C)=NO1	REAL300020301705	0	53	-1.0	-50.26	402.93	7.24	-43.02
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CC(C)C)C(C)C)=NO1	REAL300020301705	1	53	-1.0	-50.26	402.99	7.25	-43.01
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC(C)C)C(C)C)=NO1	REAL300020301706	0	50	-1.0	-46.19	384.40	7.07	-39.12
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC(C)C)C(C)C)=NO1	REAL300020301706	1	50	-1.0	-46.24	384.38	7.06	-39.18
CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301707	0	50	-1.0	-42.65	405.98	8.44	-34.21
CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301707	1	50	-1.0	-42.67	406.04	8.46	-34.21
CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301708	0	47	-1.0	-45.96	376.64	7.10	-38.86
CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301708	1	47	-1.0	-45.99	376.59	7.08	-38.91
CCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301709	0	50	-1.0	-40.96	403.66	8.44	-32.52
CCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301709	1	50	-1.0	-40.95	403.72	8.45	-32.50
CCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301710	0	47	-1.0	-46.56	381.99	7.66	-38.90
CCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301710	1	47	-1.0	-46.55	381.94	7.64	-38.91
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC=C(O)C=C3C2)=NO1	REAL300020301711	0	47	-1.0	-49.82	387.55	4.84	-44.98
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC=C(O)C=C3C2)=NO1	REAL300020301711	1	47	-1.0	-49.85	387.50	4.82	-45.03
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC=C2O)=NO1	REAL300020301712	0	49	-1.0	-42.65	413.43	6.39	-36.26
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC=C2O)=NO1	REAL300020301712	1	49	-1.0	-42.62	413.49	6.40	-36.22
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC=C2O)=NO1	REAL300020301713	0	46	-1.0	-49.37	379.97	5.57	-43.80
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC=C2O)=NO1	REAL300020301713	1	46	-1.0	-49.43	379.91	5.55	-43.88
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301714	0	51	-1.0	-47.86	417.05	9.13	-38.73
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301714	1	51	-1.0	-47.83	417.01	9.11	-38.72
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2CCCCC2)C2CC2)=NO1	REAL300020301715	0	55	-1.0	-48.58	427.86	10.15	-38.43
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2CCCCC2)C2CC2)=NO1	REAL300020301715	1	55	-1.0	-48.64	427.91	10.17	-38.47
COCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301716	0	52	-1.0	-44.52	409.66	4.70	-39.82
COCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301716	1	52	-1.0	-44.51	409.69	4.71	-39.80
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301717	0	57	-1.0	-46.04	407.72	9.20	-36.84
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301717	1	57	-1.0	-46.05	407.77	9.22	-36.83
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)(C)OC[C@@H]2C)=NO1	REAL300020301718	0	52	-1.0	-41.42	413.54	6.94	-34.48
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)(C)OC[C@@H]2C)=NO1	REAL300020301718	1	52	-1.0	-41.42	413.60	6.96	-34.46
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)(C)OC[C@@H]2C)=NO1	REAL300020301719	0	49	-1.0	-45.10	389.47	6.23	-38.87
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)(C)OC[C@@H]2C)=NO1	REAL300020301719	1	49	-1.0	-45.09	389.42	6.21	-38.88
C=CCC1N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCCC1(C)C	REAL300020301720	0	55	-1.0	-53.98	399.36	8.29	-45.69
C=CCC1N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCCC1(C)C	REAL300020301720	1	55	-1.0	-53.99	399.33	8.29	-45.70
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC=C(C)C2)=NO1	REAL300020301721	0	46	-1.0	-48.96	369.08	7.08	-41.88
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC=C(C)C2)=NO1	REAL300020301721	1	46	-1.0	-49.00	369.14	7.09	-41.91
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC=C(C)C2)=NO1	REAL300020301722	0	43	-1.0	-45.64	351.43	6.20	-39.44
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC=C(C)C2)=NO1	REAL300020301722	1	43	-1.0	-45.67	351.39	6.18	-39.49
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301723	0	52	-1.0	-51.58	388.47	7.42	-44.16
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301723	1	52	-1.0	-51.58	388.52	7.43	-44.15
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CC2CC2)CC2CCC2)=NO1	REAL300020301724	0	55	-1.0	-49.32	432.31	9.32	-40.00
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CC2CC2)CC2CCC2)=NO1	REAL300020301724	1	55	-1.0	-49.34	432.37	9.34	-40.00
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2CC2)CC2CCC2)=NO1	REAL300020301725	0	52	-1.0	-44.78	403.27	9.01	-35.77
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2CC2)CC2CCC2)=NO1	REAL300020301725	1	52	-1.0	-44.81	403.32	9.03	-35.78
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[C@H](OC(F)F)C2)=NO1	REAL300020301726	0	46	-1.0	-49.40	388.37	5.76	-43.64
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[C@H](OC(F)F)C2)=NO1	REAL300020301726	1	46	-1.0	-49.37	388.43	5.77	-43.60
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@H](OC(F)F)C2)=NO1	REAL300020301727	0	43	-1.0	-45.79	370.21	5.23	-40.56
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@H](OC(F)F)C2)=NO1	REAL300020301727	1	43	-1.0	-45.79	370.27	5.26	-40.53
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3=CC=CC=C3C2)=NO1	REAL300020301728	0	49	-1.0	-44.19	401.71	8.46	-35.73
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3=CC=CC=C3C2)=NO1	REAL300020301728	1	49	-1.0	-44.21	401.77	8.48	-35.73
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC=CC=C3C2)=NO1	REAL300020301729	0	46	-1.0	-49.73	377.45	7.52	-42.21
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC=CC=C3C2)=NO1	REAL300020301729	1	46	-1.0	-49.70	377.39	7.49	-42.21
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3(C)CC2CC(C)(C)C3)=NO1	REAL300020301730	0	55	-1.0	-46.30	414.81	9.16	-37.14
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3(C)CC2CC(C)(C)C3)=NO1	REAL300020301730	1	55	-1.0	-46.30	414.86	9.17	-37.13
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCS(=O)(=O)C2)=NO1	REAL300020301731	0	45	-1.0	-57.19	390.41	2.77	-54.42
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCS(=O)(=O)C2)=NO1	REAL300020301731	1	45	-1.0	-57.18	390.47	2.79	-54.39
CCCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301732	0	50	-1.0	-40.86	404.32	7.58	-33.28
CCCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301732	1	50	-1.0	-40.80	404.37	7.59	-33.21
CCCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301733	0	47	-1.0	-48.74	381.32	6.73	-42.01
CCCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301733	1	47	-1.0	-48.72	381.26	6.71	-42.01
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301734	0	46	-1.0	-40.58	388.50	7.50	-33.08
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301734	1	46	-1.0	-40.57	388.56	7.51	-33.06
C=CCN(CC=C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301735	0	43	-1.0	-46.54	370.80	7.31	-39.23
C=CCN(CC=C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301735	1	43	-1.0	-46.51	370.75	7.29	-39.22
COCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301736	0	52	-1.0	-42.93	428.11	4.75	-38.18
COCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301736	1	52	-1.0	-42.95	428.16	4.76	-38.19
COCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301737	0	49	-1.0	-47.05	396.19	3.85	-43.20
COCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301737	1	49	-1.0	-47.11	396.24	3.88	-43.23
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CCO)CC2=CC=CC=C2)=NO1	REAL300020301738	0	49	-1.0	-48.36	400.85	5.30	-43.06
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CCO)CC2=CC=CC=C2)=NO1	REAL300020301738	1	49	-1.0	-48.34	400.80	5.28	-43.06
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CCCCC1	REAL300020301739	0	54	-1.0	-47.87	419.02	9.28	-38.59
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CCCCC1	REAL300020301739	1	54	-1.0	-47.85	419.08	9.29	-38.56
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CCCCC1	REAL300020301740	0	51	-1.0	-48.89	395.58	8.51	-40.38
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CCCCC1	REAL300020301740	1	51	-1.0	-48.89	395.53	8.49	-40.40
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301741	0	51	-1.0	-51.09	405.56	10.09	-41.00
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301741	1	51	-1.0	-51.10	405.61	10.11	-40.99
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301742	0	48	-1.0	-46.83	394.38	8.34	-38.49
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301742	1	48	-1.0	-46.89	394.32	8.32	-38.57
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCCCCC2)=NO1	REAL300020301743	0	51	-1.0	-48.09	385.72	9.24	-38.85
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCCCCC2)=NO1	REAL300020301743	1	51	-1.0	-48.11	385.78	9.26	-38.85
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCCCC2)=NO1	REAL300020301744	0	48	-1.0	-44.36	371.77	8.72	-35.64
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCCCC2)=NO1	REAL300020301744	1	48	-1.0	-44.31	371.72	8.69	-35.62
CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301745	0	50	-1.0	-42.74	403.97	7.67	-35.07
CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301745	1	50	-1.0	-42.74	404.02	7.68	-35.06
CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301746	0	47	-1.0	-46.04	378.59	6.95	-39.09
CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301746	1	47	-1.0	-46.00	378.52	6.93	-39.07
CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301747	0	51	-1.0	-48.83	423.44	8.40	-40.43
CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301747	1	51	-1.0	-48.84	423.49	8.41	-40.43
CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301748	0	48	-1.0	-44.56	397.06	8.29	-36.27
CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301748	1	48	-1.0	-44.55	397.00	8.27	-36.28
C=C(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301749	0	48	-1.0	-42.48	395.09	7.33	-35.15
C=C(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301749	1	48	-1.0	-42.45	395.14	7.34	-35.11
C=C(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301750	0	45	-1.0	-45.79	368.64	6.61	-39.18
C=C(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301750	1	45	-1.0	-45.80	368.59	6.58	-39.22
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301751	0	46	-1.0	-47.66	409.44	8.51	-39.15
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301751	1	46	-1.0	-47.63	409.38	8.49	-39.14
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301752	0	47	-1.0	-55.74	405.43	3.13	-52.61
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301752	1	47	-1.0	-55.76	405.47	3.14	-52.62
CCN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301753	0	51	-1.0	-41.28	404.85	8.54	-32.74
CCN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301753	1	51	-1.0	-41.26	404.91	8.55	-32.71
CCN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301754	0	48	-1.0	-49.40	384.12	7.17	-42.23
CCN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301754	1	48	-1.0	-49.40	384.06	7.14	-42.26
CSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301755	0	51	-1.0	-41.07	426.90	8.89	-32.18
CSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301755	1	51	-1.0	-41.10	426.95	8.91	-32.19
CSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301756	0	48	-1.0	-46.60	405.18	8.09	-38.51
CSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301756	1	48	-1.0	-46.60	405.23	8.12	-38.48
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=NOC=C2)=NO1	REAL300020301757	0	44	-1.0	-44.62	382.45	6.20	-38.42
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=NOC=C2)=NO1	REAL300020301757	1	44	-1.0	-44.61	382.51	6.21	-38.40
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=NOC=C2)=NO1	REAL300020301758	0	41	-1.0	-53.73	350.77	5.48	-48.25
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=NOC=C2)=NO1	REAL300020301758	1	41	-1.0	-53.69	350.71	5.46	-48.23
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1C	REAL300020301759	0	54	0.0	-75.49	389.10	8.83	-66.66
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1C	REAL300020301759	1	54	0.0	-75.00	402.68	8.77	-66.23
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020301759	1	54	0.0	-75.48	389.13	8.83	-66.65
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020301759	1	54	0.0	-74.99	402.74	8.78	-66.21
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)CC2C)=NO1	REAL300020301760	0	48	-1.0	-49.07	388.44	7.82	-41.25
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)CC2C)=NO1	REAL300020301760	1	48	-1.0	-49.08	388.50	7.83	-41.25
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)CC2C)=NO1	REAL300020301761	0	45	-1.0	-45.43	361.34	7.35	-38.08
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)CC2C)=NO1	REAL300020301761	1	45	-1.0	-45.44	361.29	7.32	-38.12
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2=CC=CC=C2)C2CC2)=NO1	REAL300020301762	0	49	-1.0	-47.70	407.95	9.02	-38.68
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2=CC=CC=C2)C2CC2)=NO1	REAL300020301762	1	49	-1.0	-47.77	407.89	8.99	-38.78
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC=C(C(F)(F)F)CC2)=NO1	REAL300020301763	0	43	-1.0	-47.02	369.57	7.33	-39.69
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC=C(C(F)(F)F)CC2)=NO1	REAL300020301763	1	43	-1.0	-47.05	369.63	7.35	-39.70
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(=O)N(C)CC2C)=NO1	REAL300020301764	0	49	-1.0	-49.69	392.06	4.25	-45.44
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(=O)N(C)CC2C)=NO1	REAL300020301764	1	49	-1.0	-49.67	392.12	4.27	-45.40
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(=O)N(C)CC2C)=NO1	REAL300020301765	0	46	-1.0	-56.32	377.21	4.93	-51.39
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(=O)N(C)CC2C)=NO1	REAL300020301765	1	46	-1.0	-56.36	377.17	4.93	-51.43
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CC2CC2)C2CCC2)=NO1	REAL300020301766	0	52	-1.0	-42.13	417.93	9.01	-33.12
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CC2CC2)C2CCC2)=NO1	REAL300020301766	1	52	-1.0	-42.19	417.98	9.02	-33.17
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2CC2)C2CCC2)=NO1	REAL300020301767	0	49	-1.0	-49.89	398.23	7.89	-42.00
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2CC2)C2CCC2)=NO1	REAL300020301767	1	49	-1.0	-49.82	398.18	7.86	-41.96
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301768	0	49	-1.0	-42.42	407.60	6.34	-36.08
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301768	1	49	-1.0	-42.44	407.66	6.36	-36.08
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301769	0	46	-1.0	-44.98	380.20	5.65	-39.33
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301769	1	46	-1.0	-44.96	380.15	5.62	-39.34
CCCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301770	0	57	-1.0	-44.08	437.68	8.77	-35.31
CCCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301770	1	57	-1.0	-44.12	437.69	8.79	-35.33
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301771	0	53	-1.0	-42.67	420.33	8.42	-34.25
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301771	1	53	-1.0	-42.68	420.38	8.44	-34.24
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301772	0	50	-1.0	-45.95	394.88	7.76	-38.19
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301772	1	50	-1.0	-45.92	394.82	7.73	-38.19
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC2CCC(C)C)=NO1	REAL300020301773	0	57	-1.0	-49.97	441.67	9.18	-40.79
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC2CCC(C)C)=NO1	REAL300020301773	1	57	-1.0	-49.95	441.73	9.20	-40.75
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2CCC(C)C)=NO1	REAL300020301774	0	54	-1.0	-45.91	422.69	8.71	-37.20
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2CCC(C)C)=NO1	REAL300020301774	1	54	-1.0	-45.88	422.75	8.73	-37.15
CCN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301775	0	52	-1.0	-49.84	413.27	7.10	-42.74
CCN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301775	1	52	-1.0	-49.84	413.33	7.12	-42.72
CCN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301776	0	49	-1.0	-44.49	401.51	6.58	-37.91
CCN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301776	1	49	-1.0	-44.49	401.46	6.55	-37.94
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCC2C3)=NO1	REAL300020301777	0	46	-1.0	-43.10	367.50	6.74	-36.36
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCC2C3)=NO1	REAL300020301777	1	46	-1.0	-43.07	367.56	6.76	-36.31
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCC2C3)=NO1	REAL300020301778	0	43	-1.0	-55.63	337.26	6.65	-48.98
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCC2C3)=NO1	REAL300020301778	1	43	-1.0	-55.60	337.22	6.64	-48.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CC3=CC=CC=C3C2)=NO1	REAL300020301779	0	49	-1.0	-49.74	404.74	9.47	-40.27
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CC3=CC=CC=C3C2)=NO1	REAL300020301779	1	49	-1.0	-49.72	404.68	9.45	-40.27
CCCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301780	0	57	-1.0	-43.93	444.86	9.88	-34.05
CCCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301780	1	57	-1.0	-43.94	444.92	9.89	-34.05
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301781	0	51	-1.0	-44.31	423.34	6.87	-37.44
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301781	1	51	-1.0	-44.29	423.28	6.85	-37.44
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301782	0	48	-1.0	-46.48	398.39	6.16	-40.32
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301782	1	48	-1.0	-46.43	398.34	6.12	-40.31
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC=C3C2)=NO1	REAL300020301783	0	46	-1.0	-42.45	382.11	8.91	-33.54
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC=C3C2)=NO1	REAL300020301783	1	46	-1.0	-42.44	382.17	8.92	-33.52
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC=C3C2)=NO1	REAL300020301784	0	43	-1.0	-47.37	361.33	7.87	-39.50
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC=C3C2)=NO1	REAL300020301784	1	43	-1.0	-47.39	361.28	7.85	-39.54
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3=C(C=CS3)C2)=NO1	REAL300020301785	0	46	-1.0	-50.82	390.60	8.85	-41.97
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3=C(C=CS3)C2)=NO1	REAL300020301785	1	46	-1.0	-50.79	390.55	8.83	-41.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C(C)C2=CC=CC(O)=C2)=NO1	REAL300020301786	0	49	-1.0	-50.51	402.89	5.96	-44.55
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C(C)C2=CC=CC(O)=C2)=NO1	REAL300020301786	1	49	-1.0	-50.54	402.84	5.94	-44.60
CCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301787	0	54	-1.0	-41.56	428.97	7.11	-34.45
CCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301787	1	54	-1.0	-41.59	429.03	7.13	-34.46
CCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301788	0	51	-1.0	-47.24	407.81	6.22	-41.02
CCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301788	1	51	-1.0	-47.23	407.79	6.21	-41.02
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN(C)C(=O)C2C)=NO1	REAL300020301789	0	49	-1.0	-47.24	392.78	5.14	-42.10
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN(C)C(=O)C2C)=NO1	REAL300020301789	1	49	-1.0	-47.25	392.84	5.16	-42.09
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(C)C(=O)C2C)=NO1	REAL300020301790	0	46	-1.0	-56.60	378.84	5.16	-51.44
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(C)C(=O)C2C)=NO1	REAL300020301790	1	46	-1.0	-56.59	378.79	5.15	-51.44
CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301791	0	48	-1.0	-42.75	381.54	7.37	-35.38
CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301791	1	48	-1.0	-42.73	381.59	7.39	-35.34
CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301792	0	45	-1.0	-45.57	362.18	6.68	-38.89
CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301792	1	45	-1.0	-45.57	362.13	6.66	-38.91
C=CCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301793	0	55	-1.0	-44.09	442.52	9.82	-34.27
C=CCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301793	1	55	-1.0	-44.06	442.47	9.80	-34.26
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301794	0	48	-1.0	-48.43	393.05	7.56	-40.87
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301794	1	48	-1.0	-48.42	393.11	7.57	-40.85
CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301795	0	45	-1.0	-43.55	356.20	7.30	-36.25
CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301795	1	45	-1.0	-43.52	356.15	7.27	-36.25
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CCCCO)C2CC2)=NO1	REAL300020301796	0	52	-1.0	-50.56	412.95	5.74	-44.82
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CCCCO)C2CC2)=NO1	REAL300020301796	1	52	-1.0	-50.56	413.01	5.76	-44.80
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CCCCO)C2CC2)=NO1	REAL300020301797	0	49	-1.0	-49.98	398.85	4.86	-45.12
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CCCCO)C2CC2)=NO1	REAL300020301797	1	49	-1.0	-49.99	398.80	4.82	-45.17
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC=C(F)C=C3C2)=NO1	REAL300020301798	0	46	-1.0	-47.65	382.93	7.77	-39.88
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC=C(F)C=C3C2)=NO1	REAL300020301798	1	46	-1.0	-47.67	382.89	7.75	-39.92
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C(C)CS(C)(=O)=O)=NO1	REAL300020301799	0	47	-1.0	-54.82	398.97	4.11	-50.71
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C(C)CS(C)(=O)=O)=NO1	REAL300020301799	1	47	-1.0	-54.84	399.03	4.13	-50.71
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC=CC=C3CC2)=NO1	REAL300020301800	0	49	-1.0	-45.12	385.56	9.05	-36.07
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC=CC=C3CC2)=NO1	REAL300020301800	1	49	-1.0	-45.10	385.52	9.02	-36.08
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCSCC2C)=NO1	REAL300020301801	0	46	-1.0	-40.61	386.73	7.15	-33.46
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCSCC2C)=NO1	REAL300020301801	1	46	-1.0	-40.63	386.78	7.16	-33.47
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCSCC2C)=NO1	REAL300020301802	0	43	-1.0	-51.16	360.63	6.62	-44.54
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCSCC2C)=NO1	REAL300020301802	1	43	-1.0	-51.17	360.58	6.61	-44.56
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3CCCC32)=NO1	REAL300020301803	0	52	-1.0	-48.43	415.94	8.65	-39.78
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3CCCC32)=NO1	REAL300020301803	1	52	-1.0	-48.44	415.99	8.66	-39.78
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3CCCC32)=NO1	REAL300020301804	0	49	-1.0	-45.74	395.19	7.89	-37.85
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3CCCC32)=NO1	REAL300020301804	1	49	-1.0	-45.76	395.14	7.86	-37.90
C#CCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301805	0	43	-1.0	-42.95	367.76	6.93	-36.02
C#CCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301805	1	43	-1.0	-42.94	367.82	6.94	-36.00
C#CCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301806	0	40	-1.0	-45.70	339.96	6.23	-39.47
C#CCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301806	1	40	-1.0	-45.73	339.91	6.22	-39.51
C#CCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1	REAL300020301807	0	47	-1.0	-47.40	398.37	9.53	-37.87
C#CCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1	REAL300020301807	1	47	-1.0	-47.38	398.41	9.53	-37.85
CCOCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301808	0	51	-1.0	-42.04	413.87	6.65	-35.39
CCOCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301808	1	51	-1.0	-42.03	413.93	6.67	-35.36
CCOCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301809	0	48	-1.0	-44.64	387.70	5.86	-38.78
CCOCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301809	1	48	-1.0	-44.65	387.67	5.84	-38.81
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CCCC1	REAL300020301810	0	51	-1.0	-49.04	410.32	8.16	-40.88
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CCCC1	REAL300020301810	1	51	-1.0	-49.02	410.38	8.18	-40.84
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CCCC1	REAL300020301811	0	48	-1.0	-44.29	369.97	7.20	-37.09
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CCCC1	REAL300020301811	1	48	-1.0	-44.25	369.91	7.18	-37.07
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC(=O)NC(C)C)=NO1	REAL300020301812	0	51	-1.0	-46.98	423.00	5.55	-41.43
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC(=O)NC(C)C)=NO1	REAL300020301812	1	51	-1.0	-46.97	423.06	5.57	-41.40
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC(=O)NC(C)C)=NO1	REAL300020301813	0	48	-1.0	-46.81	407.04	4.67	-42.14
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC(=O)NC(C)C)=NO1	REAL300020301813	1	48	-1.0	-46.82	406.98	4.64	-42.18
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C(C)C2=CC=C(F)C=C2)=NO1	REAL300020301814	0	48	-1.0	-42.72	406.09	8.52	-34.20
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C(C)C2=CC=C(F)C=C2)=NO1	REAL300020301814	1	48	-1.0	-42.73	406.05	8.50	-34.23
CC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301815	0	49	-1.0	-47.53	386.00	6.65	-40.88
CC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301815	1	49	-1.0	-47.54	385.95	6.63	-40.91
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2=CC=CC=C2)=NO1	REAL300020301816	0	49	-1.0	-46.12	399.76	10.31	-35.81
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2=CC=CC=C2)=NO1	REAL300020301816	1	49	-1.0	-46.07	399.70	10.29	-35.78
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3=C(C=CS3)C2)=NO1	REAL300020301817	0	46	-1.0	-43.77	394.40	7.84	-35.93
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3=C(C=CS3)C2)=NO1	REAL300020301817	1	46	-1.0	-43.77	394.46	7.85	-35.92
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=C(C=CS3)C2)=NO1	REAL300020301818	0	43	-1.0	-49.21	368.25	6.74	-42.47
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=C(C=CS3)C2)=NO1	REAL300020301818	1	43	-1.0	-49.21	368.19	6.72	-42.49
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C3CC3)C2)=NO1	REAL300020301819	0	49	-1.0	-50.02	389.67	8.63	-41.39
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C3CC3)C2)=NO1	REAL300020301819	1	49	-1.0	-50.00	389.72	8.64	-41.36
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3CC3)C2)=NO1	REAL300020301820	0	46	-1.0	-49.53	375.65	7.71	-41.82
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3CC3)C2)=NO1	REAL300020301820	1	46	-1.0	-49.53	375.59	7.69	-41.84
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C3CCOC3)C2)=NO1	REAL300020301821	0	53	-1.0	-42.44	415.78	7.47	-34.97
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C3CCOC3)C2)=NO1	REAL300020301821	1	53	-1.0	-42.42	415.83	7.48	-34.94
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3CCOC3)C2)=NO1	REAL300020301822	0	50	-1.0	-44.08	389.14	6.82	-37.26
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3CCOC3)C2)=NO1	REAL300020301822	1	50	-1.0	-44.10	389.18	6.84	-37.26
CCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301823	0	51	-1.0	-41.66	397.76	8.59	-33.07
CCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301823	1	51	-1.0	-41.67	397.82	8.60	-33.07
CCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301824	0	48	-1.0	-49.49	377.78	7.11	-42.38
CCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301824	1	48	-1.0	-49.49	377.72	7.08	-42.41
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3CCOCC3)C2)=NO1	REAL300020301825	0	53	-1.0	-48.40	424.31	7.19	-41.21
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3CCOCC3)C2)=NO1	REAL300020301825	1	53	-1.0	-48.38	424.37	7.22	-41.16
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(CC(N)=O)C2)=NO1	REAL300020301826	0	49	-1.0	-52.76	390.18	3.30	-49.46
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(CC(N)=O)C2)=NO1	REAL300020301826	1	49	-1.0	-52.77	390.24	3.32	-49.45
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC(C)O1	REAL300020301827	0	50	-1.0	-46.75	418.09	4.84	-41.91
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC(C)O1	REAL300020301827	1	50	-1.0	-46.73	418.14	4.86	-41.87
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCC2=CN=CC=N2)=NO1	REAL300020301828	0	49	-1.0	-46.12	419.87	6.19	-39.93
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCC2=CN=CC=N2)=NO1	REAL300020301828	1	49	-1.0	-46.13	419.92	6.20	-39.93
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCC2=CN=CC=N2)=NO1	REAL300020301829	0	46	-1.0	-58.69	391.41	5.90	-52.79
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCC2=CN=CC=N2)=NO1	REAL300020301829	1	46	-1.0	-58.66	391.36	5.88	-52.78
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)(C(N)=O)C2)=NO1	REAL300020301830	0	49	-1.0	-53.34	407.06	3.74	-49.60
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)(C(N)=O)C2)=NO1	REAL300020301830	1	49	-1.0	-53.34	407.11	3.75	-49.59
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)(C(N)=O)C2)=NO1	REAL300020301831	0	46	-1.0	-51.60	386.87	3.08	-48.52
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)(C(N)=O)C2)=NO1	REAL300020301831	1	46	-1.0	-51.63	386.81	3.05	-48.58
COC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301832	0	48	-1.0	-52.56	405.17	6.87	-45.69
COC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301832	1	48	-1.0	-52.60	405.23	6.90	-45.70
COCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301833	0	52	-1.0	-53.24	410.21	7.34	-45.90
COCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301833	1	52	-1.0	-53.25	410.25	7.36	-45.89
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)OC(C3CC3)C2)=NO1	REAL300020301834	0	53	-1.0	-47.44	432.91	8.15	-39.29
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)OC(C3CC3)C2)=NO1	REAL300020301834	1	53	-1.0	-47.40	432.97	8.16	-39.24
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)OC(C3CC3)C2)=NO1	REAL300020301835	0	50	-1.0	-47.06	411.43	7.35	-39.71
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)OC(C3CC3)C2)=NO1	REAL300020301835	1	50	-1.0	-47.05	411.49	7.38	-39.67
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC(C)=CC=C2F)=NO1	REAL300020301836	0	48	-1.0	-52.42	403.40	8.90	-43.52
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC(C)=CC=C2F)=NO1	REAL300020301836	1	48	-1.0	-52.44	403.34	8.87	-43.57
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H](C)O[C@@H](C)C2)=NO1	REAL300020301837	0	49	-1.0	-41.54	402.31	6.73	-34.81
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H](C)O[C@@H](C)C2)=NO1	REAL300020301837	1	49	-1.0	-41.55	402.37	6.74	-34.81
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H](C)O[C@@H](C)C2)=NO1	REAL300020301838	0	46	-1.0	-47.55	379.75	5.81	-41.74
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H](C)O[C@@H](C)C2)=NO1	REAL300020301838	1	46	-1.0	-47.58	379.69	5.79	-41.79
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)OC(C)(C)C2)=NO1	REAL300020301839	0	52	-1.0	-41.56	422.45	7.25	-34.31
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)OC(C)(C)C2)=NO1	REAL300020301839	1	52	-1.0	-41.53	422.50	7.27	-34.26
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)OC(C)(C)C2)=NO1	REAL300020301840	0	49	-1.0	-49.22	388.37	6.36	-42.86
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)OC(C)(C)C2)=NO1	REAL300020301840	1	49	-1.0	-49.21	388.32	6.34	-42.87
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=C(C)C=C2)=NO1	REAL300020301841	0	51	-1.0	-48.97	410.27	9.75	-39.22
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=C(C)C=C2)=NO1	REAL300020301841	1	51	-1.0	-48.97	410.32	9.76	-39.21
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=C(C)C=C2)=NO1	REAL300020301842	0	48	-1.0	-44.71	404.71	8.90	-35.81
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=C(C)C=C2)=NO1	REAL300020301842	1	48	-1.0	-44.73	404.64	8.89	-35.84
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC(C)O1	REAL300020301843	0	52	-1.0	-47.97	421.33	7.33	-40.64
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC(C)O1	REAL300020301843	1	52	-1.0	-48.01	421.39	7.35	-40.66
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC(C)O1	REAL300020301844	0	49	-1.0	-46.67	405.30	6.45	-40.22
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC(C)O1	REAL300020301844	1	49	-1.0	-46.66	405.24	6.42	-40.24
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCC(F)(F)F)=NO1	REAL300020301845	0	44	-1.0	-50.16	383.05	7.26	-42.90
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCC(F)(F)F)=NO1	REAL300020301845	1	44	-1.0	-50.15	383.11	7.28	-42.87
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCC(F)(F)F)=NO1	REAL300020301846	0	41	-1.0	-47.74	366.96	6.37	-41.37
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCC(F)(F)F)=NO1	REAL300020301846	1	41	-1.0	-47.75	367.02	6.40	-41.35
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CSC=N2)=NO1	REAL300020301847	0	44	-1.0	-43.08	392.37	5.95	-37.13
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CSC=N2)=NO1	REAL300020301847	1	44	-1.0	-43.10	392.42	5.96	-37.14
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CSC=N2)=NO1	REAL300020301848	0	41	-1.0	-52.08	360.07	5.20	-46.88
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CSC=N2)=NO1	REAL300020301848	1	41	-1.0	-52.07	360.01	5.18	-46.89
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C(C)(C)C)C2)=NO1	REAL300020301849	0	54	-1.0	-48.88	419.78	8.74	-40.14
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C(C)(C)C)C2)=NO1	REAL300020301849	1	54	-1.0	-48.91	419.84	8.75	-40.16
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C(C)(C)C)C2)=NO1	REAL300020301850	0	51	-1.0	-54.44	389.20	8.69	-45.75
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C(C)(C)C)C2)=NO1	REAL300020301850	1	51	-1.0	-54.42	389.25	8.70	-45.72
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)C(C)(C)C2)=NO1	REAL300020301851	0	54	-1.0	-41.62	422.75	9.24	-32.38
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)C(C)(C)C2)=NO1	REAL300020301851	1	54	-1.0	-41.62	422.81	9.25	-32.37
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)C(C)(C)C2)=NO1	REAL300020301852	0	51	-1.0	-44.82	397.67	8.49	-36.33
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)C(C)(C)C2)=NO1	REAL300020301852	1	51	-1.0	-44.81	397.62	8.47	-36.34
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(CC3)C2)=NO1	REAL300020301853	0	49	-1.0	-50.08	385.58	8.73	-41.35
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(CC3)C2)=NO1	REAL300020301853	1	49	-1.0	-50.10	385.64	8.74	-41.36
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CC3)C2)=NO1	REAL300020301854	0	46	-1.0	-46.01	378.79	8.09	-37.92
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CC3)C2)=NO1	REAL300020301854	1	46	-1.0	-45.97	378.74	8.07	-37.90
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301855	0	57	-1.0	-47.08	435.47	9.20	-37.88
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301855	1	57	-1.0	-47.13	435.53	9.22	-37.91
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301856	0	54	-1.0	-52.52	407.55	8.90	-43.62
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301856	1	54	-1.0	-52.52	407.61	8.92	-43.60
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)(C(C)C)CC2)=NO1	REAL300020301857	0	57	-1.0	-47.83	429.19	9.28	-38.55
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)(C(C)C)CC2)=NO1	REAL300020301857	1	57	-1.0	-47.89	429.24	9.30	-38.59
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)(C(C)C)CC2)=NO1	REAL300020301858	0	54	-1.0	-43.86	413.54	8.50	-35.36
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)(C(C)C)CC2)=NO1	REAL300020301858	1	54	-1.0	-43.88	413.59	8.52	-35.36
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(CC(C)C)C2)=NO1	REAL300020301859	0	54	-1.0	-42.08	424.51	9.21	-32.87
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(CC(C)C)C2)=NO1	REAL300020301859	1	54	-1.0	-42.11	424.57	9.23	-32.88
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CC(C)C)C2)=NO1	REAL300020301860	0	51	-1.0	-46.52	400.35	8.57	-37.95
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CC(C)C)C2)=NO1	REAL300020301860	1	51	-1.0	-46.52	400.40	8.59	-37.93
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301861	0	49	-1.0	-48.30	398.01	6.08	-42.22
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301861	1	49	-1.0	-48.29	398.07	6.09	-42.20
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301862	0	46	-1.0	-48.55	376.58	5.32	-43.23
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301862	1	46	-1.0	-48.54	376.52	5.29	-43.25
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301863	0	54	-1.0	-42.24	415.87	8.60	-33.64
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301863	1	54	-1.0	-42.20	415.92	8.62	-33.58
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301864	0	51	-1.0	-53.20	383.43	8.97	-44.23
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301864	1	51	-1.0	-53.20	383.39	8.96	-44.24
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301865	0	49	-1.0	-46.71	406.27	8.45	-38.26
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301865	1	49	-1.0	-46.64	406.33	8.47	-38.17
C=CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301866	0	46	-1.0	-43.92	381.66	7.73	-36.19
C=CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301866	1	46	-1.0	-43.91	381.61	7.70	-36.21
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301867	0	44	-1.0	-48.09	364.93	6.88	-41.21
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301867	1	44	-1.0	-48.09	364.98	6.89	-41.20
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301868	0	41	-1.0	-44.56	345.65	6.05	-38.51
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301868	1	41	-1.0	-44.52	345.62	6.02	-38.50
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1	REAL300020301869	0	48	-1.0	-47.21	398.47	8.88	-38.33
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1	REAL300020301869	1	48	-1.0	-47.18	398.52	8.87	-38.31
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC([NH+]3CCCC3)CC2)=NO1	REAL300020301870	0	55	0.0	-73.85	424.70	8.87	-64.98
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC([NH+]3CCCC3)CC2)=NO1	REAL300020301870	1	55	0.0	-73.84	424.75	8.90	-64.94
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN(C3CC3)CC2)=NO1	REAL300020301871	0	51	-1.0	-40.70	413.02	6.12	-34.58
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN(C3CC3)CC2)=NO1	REAL300020301871	1	51	-1.0	-40.67	413.07	6.14	-34.53
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CC3)CC2)=NO1	REAL300020301871	1	52	0.0	-73.08	415.69	8.67	-64.41
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(C3CC3)CC2)=NO1	REAL300020301872	0	48	-1.0	-43.52	393.39	5.38	-38.14
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(C3CC3)CC2)=NO1	REAL300020301872	1	48	-1.0	-43.50	393.45	5.41	-38.09
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CC3)CC2)=NO1	REAL300020301872	1	49	0.0	-67.45	399.57	7.77	-59.68
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CCCO2)=NO1	REAL300020301873	0	49	-1.0	-50.27	394.25	6.31	-43.96
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CCCO2)=NO1	REAL300020301873	1	49	-1.0	-50.23	394.31	6.32	-43.91
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CCCO2)=NO1	REAL300020301874	0	46	-1.0	-44.21	379.59	5.54	-38.67
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CCCO2)=NO1	REAL300020301874	1	46	-1.0	-44.21	379.54	5.52	-38.69
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(F)(F)CC2)=NO1	REAL300020301875	0	45	-1.0	-48.00	384.05	7.44	-40.56
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(F)(F)CC2)=NO1	REAL300020301875	1	45	-1.0	-48.00	384.11	7.45	-40.55
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(F)(F)CC2)=NO1	REAL300020301876	0	42	-1.0	-47.05	362.55	6.64	-40.41
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(F)(F)CC2)=NO1	REAL300020301876	1	42	-1.0	-47.05	362.61	6.67	-40.38
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC(C)=CC=C2)=NO1	REAL300020301877	0	51	-1.0	-41.42	430.11	9.65	-31.77
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC(C)=CC=C2)=NO1	REAL300020301877	1	51	-1.0	-41.48	430.16	9.66	-31.82
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC(C)=CC=C2)=NO1	REAL300020301878	0	48	-1.0	-43.67	403.09	8.92	-34.75
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC(C)=CC=C2)=NO1	REAL300020301878	1	48	-1.0	-43.70	403.05	8.90	-34.80
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC(C#N)=C2)=NO1	REAL300020301879	0	46	-1.0	-49.22	395.53	8.54	-40.68
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC(C#N)=C2)=NO1	REAL300020301879	1	46	-1.0	-49.25	395.48	8.51	-40.74
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=C(C#N)C=C2)=NO1	REAL300020301880	0	46	-1.0	-44.37	404.13	8.61	-35.76
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=C(C#N)C=C2)=NO1	REAL300020301880	1	46	-1.0	-44.38	404.08	8.60	-35.78
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)(C)CC(C)(C)C2)=NO1	REAL300020301881	0	57	-1.0	-40.60	445.13	9.59	-31.01
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)(C)CC(C)(C)C2)=NO1	REAL300020301881	1	57	-1.0	-40.60	445.19	9.61	-30.99
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)(C)CC(C)(C)C2)=NO1	REAL300020301882	0	54	-1.0	-44.16	422.42	8.79	-35.37
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)(C)CC(C)(C)C2)=NO1	REAL300020301882	1	54	-1.0	-44.13	422.38	8.77	-35.36
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(CC(C)C)C2)=NO1	REAL300020301883	0	57	-1.0	-40.95	449.47	9.82	-31.13
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(CC(C)C)C2)=NO1	REAL300020301883	1	57	-1.0	-41.02	449.53	9.83	-31.19
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(CC(C)C)C2)=NO1	REAL300020301884	0	54	-1.0	-50.24	417.87	9.03	-41.21
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(CC(C)C)C2)=NO1	REAL300020301884	1	54	-1.0	-50.22	417.93	9.05	-41.17
CCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301885	0	47	-1.0	-42.89	382.47	6.89	-36.00
CCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301885	1	47	-1.0	-42.90	382.53	6.90	-36.00
CCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301886	0	44	-1.0	-46.06	357.09	6.17	-39.89
CCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301886	1	44	-1.0	-46.07	357.02	6.15	-39.92
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1	REAL300020301887	0	51	-1.0	-49.18	400.92	8.52	-40.66
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1	REAL300020301887	1	51	-1.0	-49.14	400.93	8.51	-40.63
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C[C@@H]1OC	REAL300020301888	0	50	-1.0	-45.46	413.44	5.61	-39.85
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C[C@@H]1OC	REAL300020301888	1	50	-1.0	-45.46	413.50	5.63	-39.83
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C[C@@H]1OC	REAL300020301889	0	47	-1.0	-48.17	387.12	4.90	-43.27
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C[C@@H]1OC	REAL300020301889	1	47	-1.0	-48.16	387.17	4.91	-43.25
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCOC(C)(C)C)=NO1	REAL300020301890	0	54	-1.0	-47.61	432.96	7.33	-40.28
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCOC(C)(C)C)=NO1	REAL300020301890	1	54	-1.0	-47.59	433.01	7.34	-40.25
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCOC(C)(C)C)=NO1	REAL300020301891	0	51	-1.0	-46.46	416.98	6.43	-40.03
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCOC(C)(C)C)=NO1	REAL300020301891	1	51	-1.0	-46.47	417.04	6.45	-40.02
CNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301892	0	49	-1.0	-61.11	397.59	4.66	-56.45
CNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301892	1	49	-1.0	-61.11	397.54	4.63	-56.48
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CNC(=O)C3)CC2)=NO1	REAL300020301893	0	50	-1.0	-52.20	396.20	4.34	-47.86
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CNC(=O)C3)CC2)=NO1	REAL300020301893	1	50	-1.0	-52.21	396.26	4.36	-47.85
CNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301894	0	48	-1.0	-49.02	400.99	4.52	-44.50
CNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301894	1	48	-1.0	-49.07	401.04	4.54	-44.53
CNC(=O)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301895	0	51	-1.0	-51.12	424.54	5.21	-45.91
CNC(=O)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301895	1	51	-1.0	-51.14	424.60	5.23	-45.91
CNC(=O)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301896	0	48	-1.0	-50.65	408.44	4.33	-46.32
CNC(=O)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301896	1	48	-1.0	-50.64	408.50	4.35	-46.29
CNC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301897	0	49	-1.0	-60.20	398.76	4.14	-56.06
CNC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301897	1	49	-1.0	-60.19	398.70	4.11	-56.08
CNC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020301898	0	47	-1.0	-49.18	401.48	3.70	-45.48
CNC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020301898	1	47	-1.0	-49.25	401.55	3.73	-45.52
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301899	0	51	-1.0	-57.63	416.85	5.86	-51.77
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301899	1	51	-1.0	-57.61	416.91	5.88	-51.73
CNC(=O)C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301900	0	48	-1.0	-56.76	405.49	4.48	-52.28
CNC(=O)C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301900	1	48	-1.0	-56.72	405.44	4.46	-52.26
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN3C(=O)NCC3C2)=NO1	REAL300020301901	0	49	-1.0	-53.17	408.50	4.19	-48.98
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN3C(=O)NCC3C2)=NO1	REAL300020301901	1	49	-1.0	-53.16	408.56	4.20	-48.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN3C(=O)NCC3C2)=NO1	REAL300020301902	0	46	-1.0	-56.56	380.64	3.92	-52.64
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN3C(=O)NCC3C2)=NO1	REAL300020301902	1	46	-1.0	-56.56	380.58	3.91	-52.65
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCNC(=O)C(C)C)=NO1	REAL300020301903	0	51	-1.0	-48.48	427.98	5.05	-43.43
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCNC(=O)C(C)C)=NO1	REAL300020301903	1	51	-1.0	-48.45	428.03	5.07	-43.38
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C(F)(F)F)CC2)=NO1	REAL300020301904	0	45	-1.0	-43.04	385.41	7.49	-35.55
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C(F)(F)F)CC2)=NO1	REAL300020301904	1	45	-1.0	-43.09	385.46	7.52	-35.57
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(F)(F)C2)=NO1	REAL300020301905	0	42	-1.0	-50.65	359.99	6.86	-43.79
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(F)(F)C2)=NO1	REAL300020301905	1	42	-1.0	-50.69	360.05	6.87	-43.82
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(F)(F)C2)=NO1	REAL300020301906	0	39	-1.0	-49.83	338.56	6.10	-43.73
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(F)(F)C2)=NO1	REAL300020301906	1	39	-1.0	-49.83	338.50	6.07	-43.76
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC([NH2+]C(C)C)CC2)=NO1	REAL300020301907	0	54	0.0	-67.07	423.47	6.90	-60.17
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC([NH2+]C(C)C)CC2)=NO1	REAL300020301907	1	54	0.0	-67.09	423.52	6.91	-60.18
CCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301908	0	49	-1.0	-47.85	406.99	6.36	-41.49
CCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301908	1	49	-1.0	-47.85	407.04	6.39	-41.46
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCN2CCOCC2)=NO1	REAL300020301909	0	51	-1.0	-47.43	415.67	3.69	-43.74
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCN2CCOCC2)=NO1	REAL300020301909	1	51	-1.0	-47.44	415.72	3.72	-43.72
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)(C)CC2)=NO1	REAL300020301910	0	51	-1.0	-46.91	406.97	8.20	-38.71
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)(C)CC2)=NO1	REAL300020301910	1	51	-1.0	-46.92	407.02	8.22	-38.70
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)(C)CC2)=NO1	REAL300020301911	0	48	-1.0	-52.55	379.08	7.96	-44.59
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)(C)CC2)=NO1	REAL300020301911	1	48	-1.0	-52.54	379.03	7.94	-44.60
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC(C)C2=CC=CC=C2)=NO1	REAL300020301912	0	51	-1.0	-45.99	424.93	9.85	-36.14
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC(C)C2=CC=CC=C2)=NO1	REAL300020301912	1	51	-1.0	-46.04	424.88	9.83	-36.21
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCS(=O)(=O)CC2)=NO1	REAL300020301913	0	45	-1.0	-54.21	391.61	3.34	-50.87
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCS(=O)(=O)CC2)=NO1	REAL300020301913	1	45	-1.0	-54.21	391.67	3.35	-50.86
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCS(=O)(=O)CC2)=NO1	REAL300020301914	0	42	-1.0	-58.98	363.69	3.07	-55.91
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCS(=O)(=O)CC2)=NO1	REAL300020301914	1	42	-1.0	-58.96	363.75	3.09	-55.87
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=C(C)S2)=NO1	REAL300020301915	0	48	-1.0	-41.16	420.99	8.92	-32.24
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=C(C)S2)=NO1	REAL300020301915	1	48	-1.0	-41.17	421.05	8.94	-32.23
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=C(C)S2)=NO1	REAL300020301916	0	45	-1.0	-43.68	394.09	8.19	-35.49
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=C(C)S2)=NO1	REAL300020301916	1	45	-1.0	-43.66	394.03	8.18	-35.48
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=C(C)N=CS2)=NO1	REAL300020301917	0	44	-1.0	-48.08	373.25	5.68	-42.40
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=C(C)N=CS2)=NO1	REAL300020301917	1	44	-1.0	-48.07	373.20	5.65	-42.42
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCSC(C)C2)=NO1	REAL300020301918	0	46	-1.0	-48.53	374.51	7.96	-40.57
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCSC(C)C2)=NO1	REAL300020301918	1	46	-1.0	-48.50	374.57	7.97	-40.53
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCSC(C)C2)=NO1	REAL300020301919	0	43	-1.0	-47.38	360.47	7.04	-40.34
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCSC(C)C2)=NO1	REAL300020301919	1	43	-1.0	-47.37	360.41	7.02	-40.35
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC=C2Cl)=NO1	REAL300020301920	0	45	-1.0	-47.45	390.90	9.19	-38.26
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC=C2Cl)=NO1	REAL300020301920	1	45	-1.0	-47.45	390.84	9.17	-38.28
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)O1	REAL300020301921	0	48	-1.0	-43.25	411.86	7.97	-35.28
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)O1	REAL300020301921	1	48	-1.0	-43.28	411.91	7.98	-35.30
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)O1	REAL300020301922	0	45	-1.0	-50.08	377.90	7.15	-42.93
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)O1	REAL300020301922	1	45	-1.0	-50.05	377.84	7.13	-42.92
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC(Cl)=C2)=NO1	REAL300020301923	0	45	-1.0	-47.10	391.41	8.67	-38.43
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC(Cl)=C2)=NO1	REAL300020301923	1	45	-1.0	-47.11	391.35	8.65	-38.46
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(C(N)=O)C2)=NO1	REAL300020301924	0	49	-1.0	-58.06	408.50	3.94	-54.12
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(C(N)=O)C2)=NO1	REAL300020301924	1	49	-1.0	-58.10	408.56	3.96	-54.14
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C(N)=O)C2)=NO1	REAL300020301925	0	46	-1.0	-57.20	387.07	3.17	-54.03
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C(N)=O)C2)=NO1	REAL300020301925	1	46	-1.0	-57.23	387.01	3.15	-54.08
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CO2)=NO1	REAL300020301926	0	45	-1.0	-41.83	391.08	7.24	-34.59
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CO2)=NO1	REAL300020301926	1	45	-1.0	-41.84	391.14	7.25	-34.59
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CO2)=NO1	REAL300020301927	0	42	-1.0	-49.70	355.98	6.33	-43.37
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CO2)=NO1	REAL300020301927	1	42	-1.0	-49.69	355.93	6.31	-43.38
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](CC(C)C)CC2)=NO1	REAL300020301928	0	54	0.0	-76.08	420.42	8.97	-67.11
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](CC(C)C)CC2)=NO1	REAL300020301928	1	54	0.0	-76.09	420.47	8.99	-67.10
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3CCCCC3C2)=NO1	REAL300020301929	0	55	-1.0	-49.86	411.73	9.20	-40.66
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3CCCCC3C2)=NO1	REAL300020301929	1	55	-1.0	-49.84	411.79	9.21	-40.63
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CCCCC3C2)=NO1	REAL300020301930	0	52	-1.0	-43.92	409.81	8.88	-35.04
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CCCCC3C2)=NO1	REAL300020301930	1	52	-1.0	-43.94	409.86	8.90	-35.04
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301931	0	51	-1.0	-41.88	411.85	8.79	-33.09
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301931	1	51	-1.0	-41.89	411.91	8.81	-33.08
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301932	0	48	-1.0	-49.04	379.03	7.80	-41.24
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301932	1	48	-1.0	-49.05	378.97	7.78	-41.27
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCN2C=CC=N2)=NO1	REAL300020301933	0	48	-1.0	-46.82	411.93	7.05	-39.77
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCN2C=CC=N2)=NO1	REAL300020301933	1	48	-1.0	-46.85	411.88	7.03	-39.82
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCN2C=CC=N2)=NO1	REAL300020301934	0	45	-1.0	-48.37	390.43	6.27	-42.10
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCN2C=CC=N2)=NO1	REAL300020301934	1	45	-1.0	-48.36	390.37	6.26	-42.10
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301935	0	52	-1.0	-40.73	425.19	7.00	-33.73
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301935	1	52	-1.0	-40.78	425.24	7.01	-33.77
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301936	0	49	-1.0	-49.08	393.65	6.20	-42.88
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301936	1	49	-1.0	-49.06	393.70	6.22	-42.84
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCCCC3)C2)=NO1	REAL300020301937	0	55	-1.0	-44.01	422.77	9.55	-34.46
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCCCC3)C2)=NO1	REAL300020301937	1	55	-1.0	-43.99	422.83	9.58	-34.41
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CCC3)CC2)=NO1	REAL300020301938	0	55	0.0	-74.95	431.84	9.45	-65.50
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN(C3CCC3)CC2)=NO1	REAL300020301938	1	54	-1.0	-47.31	433.20	7.14	-40.17
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN(C3CCC3)CC2)=NO1	REAL300020301938	1	54	-1.0	-47.35	433.26	7.16	-40.19
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](C3CCC3)CC2)=NO1	REAL300020301939	0	52	0.0	-68.66	414.22	8.53	-60.13
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CCC3)CC2)=NO1	REAL300020301939	1	52	0.0	-68.69	414.28	8.56	-60.13
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(C3CCC3)CC2)=NO1	REAL300020301939	1	51	-1.0	-43.83	410.49	6.20	-37.63
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(C3CCC3)CC2)=NO1	REAL300020301939	1	51	-1.0	-43.85	410.53	6.24	-37.61
CCOCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301940	0	52	-1.0	-49.04	415.50	7.17	-41.87
CCOCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301940	1	52	-1.0	-49.05	415.56	7.19	-41.86
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCNS(C)(=O)=O)=NO1	REAL300020301941	0	46	-1.0	-56.56	405.87	1.38	-55.18
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCNS(C)(=O)=O)=NO1	REAL300020301941	1	46	-1.0	-56.55	405.93	1.41	-55.14
CCN1C=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C=N1	REAL300020301942	0	51	-1.0	-50.69	413.87	7.71	-42.98
CCN1C=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C=N1	REAL300020301942	1	51	-1.0	-50.74	413.82	7.70	-43.04
CCN1C=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C=N1	REAL300020301943	0	48	-1.0	-49.38	399.62	6.79	-42.59
CCN1C=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C=N1	REAL300020301943	1	48	-1.0	-49.35	399.56	6.77	-42.58
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(C)(C)C2)=NO1	REAL300020301944	0	51	-1.0	-41.76	409.69	8.74	-33.02
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(C)(C)C2)=NO1	REAL300020301944	1	51	-1.0	-41.76	409.74	8.76	-33.00
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C)(C)C2)=NO1	REAL300020301945	0	48	-1.0	-49.87	376.25	7.90	-41.97
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C)(C)C2)=NO1	REAL300020301945	1	48	-1.0	-49.88	376.20	7.87	-42.01
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN(C3CC3)C(=O)C2)=NO1	REAL300020301946	0	50	-1.0	-43.43	417.75	6.70	-36.73
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN(C3CC3)C(=O)C2)=NO1	REAL300020301946	1	50	-1.0	-43.44	417.81	6.71	-36.73
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(C3CC3)C(=O)C2)=NO1	REAL300020301947	0	47	-1.0	-46.23	384.24	5.87	-40.36
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(C3CC3)C(=O)C2)=NO1	REAL300020301947	1	47	-1.0	-46.27	384.19	5.85	-40.42
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301948	0	48	-1.0	-49.30	390.06	6.97	-42.33
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301948	1	48	-1.0	-49.29	390.12	7.00	-42.29
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(C(C)C)C(=O)C2)=NO1	REAL300020301949	0	49	-1.0	-46.27	391.62	6.02	-40.25
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(C(C)C)C(=O)C2)=NO1	REAL300020301949	1	49	-1.0	-46.33	391.56	6.00	-40.33
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)(C)OC(C)(C)C2)=NO1	REAL300020301950	0	52	-1.0	-43.30	417.25	6.92	-36.38
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)(C)OC(C)(C)C2)=NO1	REAL300020301950	1	52	-1.0	-43.36	417.29	6.95	-36.41
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3CCCO3)CC2)=NO1	REAL300020301951	0	53	-1.0	-46.92	423.56	7.41	-39.51
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3CCCO3)CC2)=NO1	REAL300020301951	1	53	-1.0	-46.94	423.62	7.44	-39.50
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(CC#N)CC2)=NO1	REAL300020301952	0	49	-1.0	-54.01	401.47	8.28	-45.73
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(CC#N)CC2)=NO1	REAL300020301952	1	49	-1.0	-53.99	401.53	8.30	-45.69
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CC#N)CC2)=NO1	REAL300020301953	0	46	-1.0	-49.24	387.61	7.77	-41.47
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CC#N)CC2)=NO1	REAL300020301953	1	46	-1.0	-49.24	387.57	7.75	-41.49
CCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301954	0	54	-1.0	-48.39	417.99	9.32	-39.07
CCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301954	1	54	-1.0	-48.37	418.04	9.34	-39.03
CCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301955	0	51	-1.0	-47.26	402.26	8.45	-38.81
CCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301955	1	51	-1.0	-47.26	402.20	8.43	-38.83
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCCC2=CC=CC=C2)=NO1	REAL300020301956	0	51	-1.0	-49.54	418.53	9.75	-39.79
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCCC2=CC=CC=C2)=NO1	REAL300020301956	1	51	-1.0	-49.55	418.58	9.78	-39.77
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301957	0	48	-1.0	-47.22	405.84	7.15	-40.07
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301957	1	48	-1.0	-47.19	405.90	7.17	-40.02
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(CCCC3)C2)=NO1	REAL300020301958	0	55	-1.0	-48.40	429.31	10.12	-38.28
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(CCCC3)C2)=NO1	REAL300020301958	1	55	-1.0	-48.43	429.37	10.14	-38.29
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCCC3)C2)=NO1	REAL300020301959	0	52	-1.0	-55.31	401.17	9.86	-45.45
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCCC3)C2)=NO1	REAL300020301959	1	52	-1.0	-55.32	401.21	9.88	-45.44
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN(C)C(=O)C2)=NO1	REAL300020301960	0	46	-1.0	-52.44	370.90	5.22	-47.22
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN(C)C(=O)C2)=NO1	REAL300020301960	1	46	-1.0	-52.43	370.96	5.24	-47.19
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(C)C(=O)C2)=NO1	REAL300020301961	0	43	-1.0	-46.64	355.91	4.48	-42.16
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(C)C(=O)C2)=NO1	REAL300020301961	1	43	-1.0	-46.70	355.86	4.45	-42.25
CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301962	0	52	-1.0	-49.50	426.69	7.47	-42.03
CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301962	1	52	-1.0	-49.55	426.75	7.48	-42.07
CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301963	0	49	-1.0	-48.31	405.60	6.47	-41.84
CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301963	1	49	-1.0	-48.34	405.65	6.50	-41.84
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[NH+](CC3CC3)CC2)=NO1	REAL300020301964	0	55	0.0	-75.37	440.92	9.35	-66.02
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](CC3CC3)CC2)=NO1	REAL300020301964	1	55	0.0	-75.34	440.98	9.37	-65.97
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](CC3CC3)CC2)=NO1	REAL300020301965	0	52	0.0	-72.26	414.27	8.80	-63.46
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](CC3CC3)CC2)=NO1	REAL300020301965	1	52	0.0	-72.24	414.32	8.83	-63.41
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=C(C)ON=C2C)=NO1	REAL300020301966	0	50	-1.0	-48.54	401.41	7.63	-40.91
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=C(C)ON=C2C)=NO1	REAL300020301966	1	50	-1.0	-48.60	401.47	7.64	-40.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=C(C)ON=C2C)=NO1	REAL300020301967	0	47	-1.0	-46.92	387.24	6.72	-40.20
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=C(C)ON=C2C)=NO1	REAL300020301967	1	47	-1.0	-46.93	387.18	6.70	-40.23
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCC2=NC=CS2)=NO1	REAL300020301968	0	44	-1.0	-50.01	388.87	6.30	-43.71
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCC2=NC=CS2)=NO1	REAL300020301968	1	44	-1.0	-49.98	388.93	6.33	-43.65
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2=CC=CS2)=NO1	REAL300020301969	0	46	-1.0	-47.51	392.95	8.89	-38.62
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2=CC=CS2)=NO1	REAL300020301969	1	46	-1.0	-47.52	392.91	8.88	-38.64
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(C2)CCOCC3)=NO1	REAL300020301970	0	53	-1.0	-42.14	408.23	7.33	-34.81
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(C2)CCOCC3)=NO1	REAL300020301970	1	53	-1.0	-42.11	408.28	7.35	-34.76
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(C2)CCOCC3)=NO1	REAL300020301971	0	50	-1.0	-44.46	381.83	6.62	-37.84
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(C2)CCOCC3)=NO1	REAL300020301971	1	50	-1.0	-44.44	381.88	6.63	-37.81
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCSC(C(C)C)C2)=NO1	REAL300020301972	0	49	-1.0	-42.20	405.90	8.22	-33.98
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCSC(C(C)C)C2)=NO1	REAL300020301972	1	49	-1.0	-42.19	405.95	8.25	-33.94
COC(=O)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301973	0	45	-1.0	-52.15	385.62	6.55	-45.60
COC(=O)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301973	1	45	-1.0	-52.15	385.67	6.57	-45.58
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC3(CCCCC3)C2)=NO1	REAL300020301974	0	53	-1.0	-49.00	407.50	7.67	-41.33
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC3(CCCCC3)C2)=NO1	REAL300020301974	1	53	-1.0	-48.98	407.55	7.70	-41.28
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC(C)C2)=NO1	REAL300020301975	0	46	-1.0	-48.59	361.79	5.19	-43.40
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC(C)C2)=NO1	REAL300020301975	1	46	-1.0	-48.58	361.85	5.21	-43.37
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C)C2)=NO1	REAL300020301976	0	43	-1.0	-44.03	363.20	5.10	-38.93
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C)C2)=NO1	REAL300020301976	1	43	-1.0	-44.04	363.14	5.07	-38.97
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CN=C(C)S2)=NO1	REAL300020301977	0	44	-1.0	-48.19	381.96	6.11	-42.08
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CN=C(C)S2)=NO1	REAL300020301977	1	44	-1.0	-48.22	381.90	6.09	-42.13
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CC2)=NO1	REAL300020301978	0	45	-1.0	-40.45	380.87	7.56	-32.89
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CC2)=NO1	REAL300020301978	1	45	-1.0	-40.45	380.92	7.57	-32.88
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CC2)=NO1	REAL300020301979	0	42	-1.0	-44.32	355.73	6.82	-37.50
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CC2)=NO1	REAL300020301979	1	42	-1.0	-44.35	355.68	6.80	-37.55
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N(C)CC2CC2)=NO1	REAL300020301980	0	49	-1.0	-46.40	408.64	9.66	-36.74
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N(C)CC2CC2)=NO1	REAL300020301980	1	49	-1.0	-46.37	408.68	9.65	-36.72
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC=C2F)=NO1	REAL300020301981	0	48	-1.0	-42.51	411.08	8.97	-33.54
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC=C2F)=NO1	REAL300020301981	1	48	-1.0	-42.48	411.14	8.98	-33.50
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC=C2F)=NO1	REAL300020301982	0	45	-1.0	-49.14	382.21	8.73	-40.41
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC=C2F)=NO1	REAL300020301982	1	45	-1.0	-49.12	382.15	8.70	-40.42
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCC(C)C)=NO1	REAL300020301983	0	50	-1.0	-48.05	403.99	8.16	-39.89
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCC(C)C)=NO1	REAL300020301983	1	50	-1.0	-48.02	404.05	8.18	-39.84
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCC(C)C)=NO1	REAL300020301984	0	47	-1.0	-46.57	387.95	7.30	-39.27
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCC(C)C)=NO1	REAL300020301984	1	47	-1.0	-46.58	387.89	7.28	-39.30
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301985	0	48	-1.0	-42.23	391.89	7.52	-34.71
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301985	1	48	-1.0	-42.24	391.95	7.53	-34.71
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020301986	0	45	-1.0	-58.47	370.37	7.27	-51.20
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020301986	1	45	-1.0	-58.44	370.32	7.27	-51.17
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020301987	0	47	-1.0	-46.20	399.17	5.42	-40.78
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020301987	1	47	-1.0	-46.19	399.23	5.44	-40.75
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC(C)(C)C)=NO1	REAL300020301988	0	50	-1.0	-49.28	393.54	8.53	-40.75
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC(C)(C)C)=NO1	REAL300020301988	1	50	-1.0	-49.26	393.60	8.54	-40.72
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC(C)(C)C)=NO1	REAL300020301989	0	47	-1.0	-46.96	380.48	7.51	-39.45
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC(C)(C)C)=NO1	REAL300020301989	1	47	-1.0	-46.99	380.43	7.49	-39.50
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CC2)=NO1	REAL300020301990	0	45	-1.0	-40.45	380.87	7.56	-32.89
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CC2)=NO1	REAL300020301990	1	45	-1.0	-40.45	380.92	7.57	-32.88
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CC2)=NO1	REAL300020301991	0	42	-1.0	-44.32	355.73	6.82	-37.50
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CC2)=NO1	REAL300020301991	1	42	-1.0	-44.35	355.68	6.80	-37.55
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N(C)CC2CC2)=NO1	REAL300020301992	0	49	-1.0	-46.40	408.64	9.66	-36.74
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N(C)CC2CC2)=NO1	REAL300020301992	1	49	-1.0	-46.37	408.68	9.65	-36.72
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCC2CC2)=NO1	REAL300020301993	0	48	-1.0	-48.56	396.27	8.59	-39.97
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCC2CC2)=NO1	REAL300020301993	1	48	-1.0	-48.58	396.32	8.60	-39.98
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCC2CC2)=NO1	REAL300020301994	0	45	-1.0	-46.64	380.49	7.58	-39.06
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCC2CC2)=NO1	REAL300020301994	1	45	-1.0	-46.59	380.44	7.55	-39.04
COCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301995	0	48	-1.0	-47.72	398.60	5.95	-41.77
COCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301995	1	48	-1.0	-47.74	398.66	5.97	-41.77
COCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020301996	0	45	-1.0	-46.37	382.56	5.09	-41.28
COCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020301996	1	45	-1.0	-46.37	382.50	5.07	-41.30
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)SC(C)C2)=NO1	REAL300020301997	0	49	-1.0	-45.52	414.30	8.39	-37.13
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)SC(C)C2)=NO1	REAL300020301997	1	49	-1.0	-45.52	414.35	8.40	-37.12
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)SC(C)C2)=NO1	REAL300020301998	0	46	-1.0	-50.56	386.38	8.14	-42.42
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)SC(C)C2)=NO1	REAL300020301998	1	46	-1.0	-50.56	386.33	8.13	-42.43
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CN=CC=N2)=NO1	REAL300020301999	0	46	-1.0	-43.72	398.90	5.57	-38.15
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CN=CC=N2)=NO1	REAL300020301999	1	46	-1.0	-43.73	398.95	5.59	-38.14
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CN=CC=N2)=NO1	REAL300020302000	0	43	-1.0	-45.32	377.46	4.81	-40.51
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CN=CC=N2)=NO1	REAL300020302000	1	43	-1.0	-45.30	377.40	4.79	-40.51
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=NO1	REAL300020302001	0	55	0.0	-60.56	431.52	8.79	-51.77
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[N@H+]3CCCCC3C2)=NO1	REAL300020302001	1	55	0.0	-80.01	417.23	8.23	-71.78
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=NO1	REAL300020302001	1	55	0.0	-60.54	431.57	8.80	-51.74
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@H+]3CCCCC3C2)=NO1	REAL300020302001	1	55	0.0	-80.02	417.29	8.25	-71.77
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN3CCCCC3C2)=NO1	REAL300020302001	1	54	-1.0	-41.83	430.63	6.61	-35.22
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=NO1	REAL300020302002	0	52	0.0	-75.69	390.93	8.73	-66.96
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@H+]3CCCCC3C2)=NO1	REAL300020302002	1	52	0.0	-80.94	386.67	8.20	-72.74
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@@H+]3CCCCC3C2)=NO1	REAL300020302002	1	52	0.0	-75.71	390.98	8.74	-66.97
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@H+]3CCCCC3C2)=NO1	REAL300020302002	1	52	0.0	-80.95	386.71	8.21	-72.74
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN3CCCCC3C2)=NO1	REAL300020302002	1	51	-1.0	-44.15	405.38	5.83	-38.32
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN3CCCCC3C2)=NO1	REAL300020302002	1	51	-1.0	-44.12	405.43	5.85	-38.27
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC(C)C)=NO1	REAL300020302003	0	47	-1.0	-49.01	382.47	8.09	-40.92
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC(C)C)=NO1	REAL300020302003	1	47	-1.0	-49.04	382.54	8.10	-40.94
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC(C)C)=NO1	REAL300020302004	0	44	-1.0	-46.53	368.77	6.93	-39.60
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC(C)C)=NO1	REAL300020302004	1	44	-1.0	-46.54	368.71	6.90	-39.64
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N(C)CC(C)C)=NO1	REAL300020302005	0	51	-1.0	-48.34	413.53	9.98	-38.36
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N(C)CC(C)C)=NO1	REAL300020302005	1	51	-1.0	-48.40	413.52	9.99	-38.41
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(N3C=NC=N3)CC2)=NO1	REAL300020302006	0	48	-1.0	-50.61	405.06	8.70	-41.91
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(N3C=NC=N3)CC2)=NO1	REAL300020302006	1	48	-1.0	-50.61	405.00	8.68	-41.93
CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302007	0	44	-1.0	-48.09	364.93	6.88	-41.21
CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302007	1	44	-1.0	-48.09	364.98	6.89	-41.20
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302008	0	41	-1.0	-44.56	345.65	6.05	-38.51
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302008	1	41	-1.0	-44.52	345.62	6.02	-38.50
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1	REAL300020302009	0	48	-1.0	-47.21	398.47	8.88	-38.33
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1	REAL300020302009	1	48	-1.0	-47.18	398.52	8.87	-38.31
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CCCC2)=NO1	REAL300020302010	0	51	-1.0	-48.42	402.33	8.72	-39.70
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CCCC2)=NO1	REAL300020302010	1	51	-1.0	-48.44	402.39	8.74	-39.70
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CCCC2)=NO1	REAL300020302011	0	48	-1.0	-45.95	393.47	7.63	-38.32
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CCCC2)=NO1	REAL300020302011	1	48	-1.0	-45.94	393.41	7.61	-38.33
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302012	0	49	-1.0	-42.20	411.57	5.86	-36.34
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302012	1	49	-1.0	-42.19	411.62	5.88	-36.31
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302013	0	46	-1.0	-44.92	393.50	5.33	-39.59
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302013	1	46	-1.0	-44.95	393.45	5.31	-39.64
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302014	0	49	-1.0	-48.93	394.17	6.40	-42.53
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302014	1	49	-1.0	-48.93	394.22	6.42	-42.51
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302015	0	46	-1.0	-43.55	384.66	5.73	-37.82
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302015	1	46	-1.0	-43.55	384.60	5.71	-37.84
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CCCCC2)=NO1	REAL300020302016	0	54	-1.0	-48.20	420.10	9.57	-38.63
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CCCCC2)=NO1	REAL300020302016	1	54	-1.0	-48.25	420.16	9.58	-38.67
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CCCCC2)=NO1	REAL300020302017	0	51	-1.0	-49.09	398.53	8.78	-40.31
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CCCCC2)=NO1	REAL300020302017	1	51	-1.0	-49.09	398.58	8.81	-40.28
C#CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302018	0	40	-1.0	-47.16	350.83	6.64	-40.52
C#CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302018	1	40	-1.0	-47.20	350.89	6.66	-40.54
C#CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302019	0	37	-1.0	-45.81	334.85	5.76	-40.05
C#CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302019	1	37	-1.0	-45.83	334.79	5.73	-40.10
C#CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1	REAL300020302020	0	44	-1.0	-46.47	384.39	8.66	-37.81
C#CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1	REAL300020302020	1	44	-1.0	-46.43	384.43	8.65	-37.78
C=CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302021	0	42	-1.0	-47.80	356.69	6.68	-41.12
C=CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302021	1	42	-1.0	-47.78	356.75	6.69	-41.09
C=CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302022	0	39	-1.0	-46.57	340.69	5.78	-40.79
C=CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302022	1	39	-1.0	-46.60	340.64	5.75	-40.85
C=CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1	REAL300020302023	0	46	-1.0	-46.93	390.24	8.70	-38.23
C=CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1	REAL300020302023	1	46	-1.0	-46.92	390.28	8.69	-38.23
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(OCC3CC3)C2)=NO1	REAL300020302024	0	53	-1.0	-45.51	437.81	8.08	-37.43
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(OCC3CC3)C2)=NO1	REAL300020302024	1	53	-1.0	-45.52	437.87	8.10	-37.42
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3C(C2)C3(C)C)=NO1	REAL300020302025	0	49	-1.0	-48.40	390.22	7.99	-40.41
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3C(C2)C3(C)C)=NO1	REAL300020302025	1	49	-1.0	-48.40	390.27	8.01	-40.39
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3C(C2)C3(C)C)=NO1	REAL300020302026	0	46	-1.0	-53.78	362.71	8.21	-45.57
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3C(C2)C3(C)C)=NO1	REAL300020302026	1	46	-1.0	-53.77	362.67	8.21	-45.56
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C(C)C)CC2)=NO1	REAL300020302027	0	54	-1.0	-40.91	427.04	9.21	-31.70
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C(C)C)CC2)=NO1	REAL300020302027	1	54	-1.0	-40.92	427.10	9.22	-31.70
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C(C)C)CC2)=NO1	REAL300020302028	0	51	-1.0	-52.86	386.81	8.98	-43.88
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C(C)C)CC2)=NO1	REAL300020302028	1	51	-1.0	-52.86	386.86	8.99	-43.87
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302029	0	50	-1.0	-57.75	405.18	5.90	-51.85
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302029	1	50	-1.0	-57.77	405.23	5.91	-51.86
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C(F)(F)F)C2)=NO1	REAL300020302030	0	45	-1.0	-55.76	377.77	8.13	-47.63
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C(F)(F)F)C2)=NO1	REAL300020302030	1	45	-1.0	-55.79	377.82	8.14	-47.65
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(N3CCCC3=O)C2)=NO1	REAL300020302031	0	50	-1.0	-59.59	396.12	7.44	-52.15
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(N3CCCC3=O)C2)=NO1	REAL300020302031	1	50	-1.0	-59.60	396.17	7.45	-52.15
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)(F)C2)=NO1	REAL300020302032	0	45	-1.0	-45.64	374.01	7.34	-38.30
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)(F)C2)=NO1	REAL300020302032	1	45	-1.0	-45.65	374.07	7.36	-38.29
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)(F)C2)=NO1	REAL300020302033	0	42	-1.0	-48.31	350.45	6.24	-42.07
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)(F)C2)=NO1	REAL300020302033	1	42	-1.0	-48.32	350.39	6.21	-42.11
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)C3(CCC3)C2)=NO1	REAL300020302034	0	55	-1.0	-49.05	415.40	8.72	-40.33
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)C3(CCC3)C2)=NO1	REAL300020302034	1	55	-1.0	-49.03	415.46	8.73	-40.30
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)C3(CCC3)C2)=NO1	REAL300020302035	0	52	-1.0	-53.88	384.89	8.70	-45.18
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)C3(CCC3)C2)=NO1	REAL300020302035	1	52	-1.0	-53.89	384.94	8.71	-45.18
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302036	0	52	-1.0	-47.93	412.57	6.89	-41.04
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302036	1	52	-1.0	-47.90	412.63	6.91	-40.99
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302037	0	49	-1.0	-47.19	396.57	6.00	-41.19
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302037	1	49	-1.0	-47.19	396.51	5.97	-41.22
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3CCOC3)CC2)=NO1	REAL300020302038	0	53	-1.0	-45.81	422.61	7.17	-38.64
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3CCOC3)CC2)=NO1	REAL300020302038	1	53	-1.0	-45.83	422.65	7.20	-38.63
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN3C(=O)N(C)CC3C2)=NO1	REAL300020302039	0	49	-1.0	-56.85	402.41	6.20	-50.65
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN3C(=O)N(C)CC3C2)=NO1	REAL300020302039	1	49	-1.0	-56.87	402.46	6.23	-50.64
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCOCC3)C2)=NO1	REAL300020302040	0	53	-1.0	-46.12	391.57	7.02	-39.10
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCOCC3)C2)=NO1	REAL300020302040	1	53	-1.0	-46.16	391.62	7.03	-39.13
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C(C)(C)C)C2)=NO1	REAL300020302041	0	52	-1.0	-43.69	417.04	6.68	-37.01
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C(C)(C)C)C2)=NO1	REAL300020302041	1	52	-1.0	-43.68	417.10	6.71	-36.97
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(C(C)(C)C)C2)=NO1	REAL300020302042	0	57	-1.0	-49.05	430.03	9.25	-39.80
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(C(C)(C)C)C2)=NO1	REAL300020302042	1	57	-1.0	-49.08	430.09	9.26	-39.82
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C(C)(C)C)C2)=NO1	REAL300020302043	0	54	-1.0	-44.58	419.98	8.70	-35.88
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C(C)(C)C)C2)=NO1	REAL300020302043	1	54	-1.0	-44.55	420.03	8.73	-35.82
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=CC=CC=C3)C2)=NO1	REAL300020302044	0	49	-1.0	-49.09	402.40	9.38	-39.71
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=CC=CC=C3)C2)=NO1	REAL300020302044	1	49	-1.0	-49.12	402.34	9.36	-39.76
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C(N)=O)C2)=NO1	REAL300020302045	0	46	-1.0	-56.50	379.75	3.02	-53.48
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C(N)=O)C2)=NO1	REAL300020302045	1	46	-1.0	-56.48	379.81	3.03	-53.45
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C(N)=O)C2)=NO1	REAL300020302046	0	43	-1.0	-47.28	350.05	2.93	-44.35
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C(N)=O)C2)=NO1	REAL300020302046	1	43	-1.0	-47.31	350.01	2.91	-44.40
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC2)=NO1	REAL300020302047	0	42	-1.0	-42.50	345.52	6.59	-35.91
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC2)=NO1	REAL300020302047	1	42	-1.0	-42.47	345.57	6.61	-35.86
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2)=NO1	REAL300020302048	0	39	-1.0	-53.23	313.85	6.38	-46.85
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2)=NO1	REAL300020302048	1	39	-1.0	-53.23	313.80	6.37	-46.86
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N2CCCC2)=NO1	REAL300020302049	0	46	-1.0	-48.94	370.90	8.51	-40.43
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N2CCCC2)=NO1	REAL300020302049	1	46	-1.0	-48.88	370.93	8.50	-40.38
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(C)C2)=NO1	REAL300020302050	0	48	-1.0	-47.16	393.46	7.91	-39.25
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(C)C2)=NO1	REAL300020302050	1	48	-1.0	-47.18	393.51	7.92	-39.26
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C)C2)=NO1	REAL300020302051	0	45	-1.0	-54.32	361.24	7.84	-46.48
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C)C2)=NO1	REAL300020302051	1	45	-1.0	-54.35	361.19	7.82	-46.53
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOCC2)=NO1	REAL300020302052	0	43	-1.0	-48.65	358.78	5.09	-43.56
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOCC2)=NO1	REAL300020302052	1	43	-1.0	-48.66	358.84	5.10	-43.56
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOCC2)=NO1	REAL300020302053	0	40	-1.0	-48.42	336.95	4.35	-44.07
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOCC2)=NO1	REAL300020302053	1	40	-1.0	-48.41	336.89	4.33	-44.08
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N2CCOCC2)=NO1	REAL300020302054	0	47	-1.0	-49.04	385.11	7.17	-41.87
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N2CCOCC2)=NO1	REAL300020302054	1	47	-1.0	-49.05	385.17	7.16	-41.89
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302055	0	49	-1.0	-47.03	406.40	6.09	-40.94
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302055	1	49	-1.0	-47.05	406.46	6.11	-40.94
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302056	0	46	-1.0	-60.41	378.78	6.08	-54.33
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302056	1	46	-1.0	-60.37	378.72	6.06	-54.31
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)CC(C)C2)=NO1	REAL300020302057	0	51	-1.0	-47.03	414.32	8.48	-38.55
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)CC(C)C2)=NO1	REAL300020302057	1	51	-1.0	-47.01	414.37	8.50	-38.51
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)CC(C)C2)=NO1	REAL300020302058	0	48	-1.0	-47.28	392.88	7.71	-39.57
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)CC(C)C2)=NO1	REAL300020302058	1	48	-1.0	-47.31	392.82	7.69	-39.62
CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302059	0	47	-1.0	-47.92	386.42	7.66	-40.26
CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302059	1	47	-1.0	-47.91	386.48	7.68	-40.23
CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302060	0	44	-1.0	-46.45	370.39	6.80	-39.65
CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302060	1	44	-1.0	-46.51	370.32	6.78	-39.73
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1	REAL300020302061	0	51	-1.0	-46.96	419.97	9.66	-37.30
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1	REAL300020302061	1	51	-1.0	-46.98	420.01	9.65	-37.33
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C(N)=O)CC2)=NO1	REAL300020302062	0	49	-1.0	-50.80	408.53	3.97	-46.83
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C(N)=O)CC2)=NO1	REAL300020302062	1	49	-1.0	-50.83	408.59	3.99	-46.84
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C(N)=O)CC2)=NO1	REAL300020302063	0	46	-1.0	-47.18	383.91	3.25	-43.93
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C(N)=O)CC2)=NO1	REAL300020302063	1	46	-1.0	-47.17	383.87	3.22	-43.95
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)CC2)=NO1	REAL300020302064	0	48	-1.0	-48.43	382.09	7.89	-40.54
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)CC2)=NO1	REAL300020302064	1	48	-1.0	-48.43	382.15	7.91	-40.52
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)CC2)=NO1	REAL300020302065	0	45	-1.0	-52.93	351.51	7.86	-45.07
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)CC2)=NO1	REAL300020302065	1	45	-1.0	-52.91	351.46	7.85	-45.06
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302066	0	46	-1.0	-46.60	398.33	5.59	-41.01
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302066	1	46	-1.0	-46.62	398.38	5.62	-41.00
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC([NH+]3CCCCC3)C2)=NO1	REAL300020302067	0	55	0.0	-75.18	414.50	9.63	-65.55
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC([NH+]3CCCCC3)C2)=NO1	REAL300020302067	1	55	0.0	-75.21	414.55	9.63	-65.58
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCC2=CC=CS2)=NO1	REAL300020302068	0	48	-1.0	-49.29	415.11	9.00	-40.29
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCC2=CC=CS2)=NO1	REAL300020302068	1	48	-1.0	-49.26	415.17	9.01	-40.25
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCC2=CC=CS2)=NO1	REAL300020302069	0	45	-1.0	-44.09	393.25	8.24	-35.85
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCC2=CC=CS2)=NO1	REAL300020302069	1	45	-1.0	-44.04	393.22	8.23	-35.81
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302070	0	54	-1.0	-47.57	432.93	9.51	-38.06
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302070	1	54	-1.0	-47.59	432.98	9.52	-38.07
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302071	0	51	-1.0	-49.62	396.47	7.95	-41.67
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302071	1	51	-1.0	-49.63	396.42	7.93	-41.70
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(OCC3CC3)CC2)=NO1	REAL300020302072	0	53	-1.0	-51.16	430.88	8.60	-42.56
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(OCC3CC3)CC2)=NO1	REAL300020302072	1	53	-1.0	-51.16	430.93	8.61	-42.55
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302073	0	49	-1.0	-55.10	411.07	4.85	-50.25
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302073	1	49	-1.0	-55.10	411.13	4.87	-50.23
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CS2)=NO1	REAL300020302074	0	45	-1.0	-40.35	396.97	8.00	-32.35
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CS2)=NO1	REAL300020302074	1	45	-1.0	-40.42	397.02	8.02	-32.40
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CS2)=NO1	REAL300020302075	0	42	-1.0	-48.92	365.42	7.30	-41.62
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CS2)=NO1	REAL300020302075	1	42	-1.0	-48.94	365.36	7.27	-41.67
COC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302076	0	49	-1.0	-48.92	405.24	6.31	-42.61
COC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302076	1	49	-1.0	-48.94	405.29	6.32	-42.62
COC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302077	0	46	-1.0	-48.32	383.80	5.53	-42.79
COC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302077	1	46	-1.0	-48.26	383.74	5.51	-42.75
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302078	0	52	-1.0	-41.95	425.26	6.98	-34.97
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302078	1	52	-1.0	-42.00	425.31	6.99	-35.01
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302079	0	49	-1.0	-46.08	401.87	6.26	-39.82
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302079	1	49	-1.0	-46.11	401.92	6.29	-39.82
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCS(=O)CC2)=NO1	REAL300020302080	0	44	-1.0	-48.18	380.84	4.57	-43.61
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCS(=O)CC2)=NO1	REAL300020302080	1	44	-1.0	-48.24	380.90	4.58	-43.66
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCS(=O)CC2)=NO1	REAL300020302081	0	41	-1.0	-55.18	348.81	3.74	-51.44
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCS(=O)CC2)=NO1	REAL300020302081	1	41	-1.0	-55.15	348.76	3.72	-51.43
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302082	0	46	-1.0	-47.65	380.42	7.97	-39.68
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302082	1	46	-1.0	-47.67	380.48	7.99	-39.68
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302083	0	43	-1.0	-43.49	364.39	7.06	-36.43
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302083	1	43	-1.0	-43.51	364.34	7.03	-36.48
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CCCOC2)=NO1	REAL300020302084	0	52	-1.0	-49.37	403.78	7.30	-42.07
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CCCOC2)=NO1	REAL300020302084	1	52	-1.0	-49.35	403.84	7.32	-42.03
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CCCOC2)=NO1	REAL300020302085	0	49	-1.0	-46.12	383.26	6.81	-39.31
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CCCOC2)=NO1	REAL300020302085	1	49	-1.0	-46.15	383.31	6.82	-39.33
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC(C#N)C2)=NO1	REAL300020302086	0	44	-1.0	-53.19	372.79	5.30	-47.89
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC(C#N)C2)=NO1	REAL300020302086	1	44	-1.0	-53.18	372.85	5.31	-47.87
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C#N)C2)=NO1	REAL300020302087	0	41	-1.0	-44.82	363.19	4.60	-40.22
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C#N)C2)=NO1	REAL300020302087	1	41	-1.0	-44.85	363.13	4.57	-40.28
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CN(C)N=C2)=NO1	REAL300020302088	0	48	-1.0	-41.99	408.89	6.60	-35.39
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CN(C)N=C2)=NO1	REAL300020302088	1	48	-1.0	-41.99	408.83	6.59	-35.40
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CN(C)N=C2)=NO1	REAL300020302089	0	45	-1.0	-49.61	378.08	5.93	-43.68
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CN(C)N=C2)=NO1	REAL300020302089	1	45	-1.0	-49.61	378.03	5.90	-43.71
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302090	0	50	-1.0	-48.83	415.01	7.25	-41.58
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302090	1	50	-1.0	-48.82	415.07	7.26	-41.56
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302091	0	47	-1.0	-54.67	384.51	7.22	-47.45
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302091	1	47	-1.0	-54.61	384.46	7.22	-47.39
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)(C)C2)=NO1	REAL300020302092	0	48	-1.0	-42.20	386.36	7.59	-34.61
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)(C)C2)=NO1	REAL300020302092	1	48	-1.0	-42.19	386.42	7.60	-34.59
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)(C)C2)=NO1	REAL300020302093	0	45	-1.0	-49.53	362.74	6.59	-42.94
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)(C)C2)=NO1	REAL300020302093	1	45	-1.0	-49.57	362.68	6.57	-43.00
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(C(C)C)C2)=NO1	REAL300020302094	0	54	-1.0	-47.29	428.70	9.02	-38.27
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(C(C)C)C2)=NO1	REAL300020302094	1	54	-1.0	-47.32	428.76	9.03	-38.29
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C(C)C)C2)=NO1	REAL300020302095	0	51	-1.0	-47.38	407.27	8.25	-39.13
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C(C)C)C2)=NO1	REAL300020302095	1	51	-1.0	-47.35	407.21	8.23	-39.12
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302096	0	52	-1.0	-51.07	419.43	6.74	-44.33
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302096	1	52	-1.0	-51.09	419.49	6.76	-44.33
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302097	0	49	-1.0	-48.00	395.42	6.37	-41.63
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302097	1	49	-1.0	-48.02	395.46	6.38	-41.64
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(CCC3)C2)=NO1	REAL300020302098	0	52	-1.0	-49.08	406.08	8.93	-40.15
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(CCC3)C2)=NO1	REAL300020302098	1	52	-1.0	-49.05	406.13	8.94	-40.11
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCC3)C2)=NO1	REAL300020302099	0	49	-1.0	-53.63	375.67	8.90	-44.73
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCC3)C2)=NO1	REAL300020302099	1	49	-1.0	-53.64	375.62	8.89	-44.75
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCCC(C2)C3O)=NO1	REAL300020302100	0	53	-1.0	-51.48	405.02	7.44	-44.04
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCCC(C2)C3O)=NO1	REAL300020302100	1	53	-1.0	-51.50	405.07	7.46	-44.04
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCCC(C2)C3O)=NO1	REAL300020302101	0	50	-1.0	-56.29	374.38	7.40	-48.89
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCCC(C2)C3O)=NO1	REAL300020302101	1	50	-1.0	-56.27	374.43	7.41	-48.86
CO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302102	0	46	-1.0	-44.33	380.53	5.69	-38.64
CO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302102	1	46	-1.0	-44.31	380.59	5.70	-38.61
CO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302103	0	43	-1.0	-48.49	354.37	4.99	-43.50
CO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302103	1	43	-1.0	-48.50	354.33	4.97	-43.53
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)C(C)C2)=NO1	REAL300020302104	0	51	-1.0	-48.55	399.49	8.35	-40.20
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)C(C)C2)=NO1	REAL300020302104	1	51	-1.0	-48.50	399.55	8.37	-40.13
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)C(C)C2)=NO1	REAL300020302105	0	48	-1.0	-43.95	390.04	7.62	-36.33
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)C(C)C2)=NO1	REAL300020302105	1	48	-1.0	-43.90	389.98	7.60	-36.30
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302106	0	46	-1.0	-42.48	385.40	5.44	-37.04
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302106	1	46	-1.0	-42.54	385.46	5.45	-37.09
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302107	0	43	-1.0	-51.42	356.47	4.56	-46.86
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302107	1	43	-1.0	-51.44	356.41	4.53	-46.91
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302108	0	51	-1.0	-48.79	400.40	8.52	-40.27
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302108	1	51	-1.0	-48.79	400.46	8.54	-40.25
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302109	0	48	-1.0	-49.67	378.99	7.76	-41.91
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302109	1	48	-1.0	-49.66	378.93	7.74	-41.92
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)CC(C)(C)C2)=NO1	REAL300020302110	0	54	-1.0	-48.08	424.46	9.40	-38.68
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)CC(C)(C)C2)=NO1	REAL300020302110	1	54	-1.0	-48.08	424.52	9.41	-38.67
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)CC(C)(C)C2)=NO1	REAL300020302111	0	51	-1.0	-47.36	408.73	8.53	-38.83
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)CC(C)(C)C2)=NO1	REAL300020302111	1	51	-1.0	-47.37	408.68	8.51	-38.86
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302112	0	54	-1.0	-48.00	442.23	9.79	-38.21
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302112	1	54	-1.0	-48.04	442.29	9.80	-38.24
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302113	0	51	-1.0	-46.56	426.13	8.90	-37.66
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302113	1	51	-1.0	-46.57	426.19	8.92	-37.65
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCS1	REAL300020302114	0	49	-1.0	-47.19	401.37	8.50	-38.69
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCS1	REAL300020302114	1	49	-1.0	-47.17	401.43	8.52	-38.65
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCS1	REAL300020302115	0	46	-1.0	-47.26	379.96	7.74	-39.52
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCS1	REAL300020302115	1	46	-1.0	-47.29	379.90	7.72	-39.57
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)C(C)C2)=NO1	REAL300020302116	0	48	-1.0	-42.87	388.52	7.90	-34.97
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)C(C)C2)=NO1	REAL300020302116	1	48	-1.0	-42.83	388.58	7.92	-34.91
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)C(C)C2)=NO1	REAL300020302117	0	45	-1.0	-46.44	362.35	7.20	-39.24
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)C(C)C2)=NO1	REAL300020302117	1	45	-1.0	-46.42	362.30	7.18	-39.24
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCSC(C)(C)C2)=NO1	REAL300020302118	0	49	-1.0	-47.76	402.46	8.99	-38.77
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCSC(C)(C)C2)=NO1	REAL300020302118	1	49	-1.0	-47.79	402.52	9.01	-38.78
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCSC(C)(C)C2)=NO1	REAL300020302119	0	46	-1.0	-43.19	385.36	8.11	-35.08
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCSC(C)(C)C2)=NO1	REAL300020302119	1	46	-1.0	-43.20	385.32	8.09	-35.11
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3OCCCC3C2)=NO1	REAL300020302120	0	53	-1.0	-48.85	406.95	7.54	-41.31
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3OCCCC3C2)=NO1	REAL300020302120	1	53	-1.0	-48.84	407.01	7.56	-41.28
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3OCCCC3C2)=NO1	REAL300020302121	0	50	-1.0	-43.98	401.03	6.67	-37.31
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3OCCCC3C2)=NO1	REAL300020302121	1	50	-1.0	-44.02	401.07	6.70	-37.32
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302122	0	52	-1.0	-41.09	425.20	7.42	-33.67
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302122	1	52	-1.0	-41.14	425.26	7.43	-33.71
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302123	0	49	-1.0	-43.45	406.06	6.50	-36.95
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302123	1	49	-1.0	-43.44	406.12	6.52	-36.92
CCCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302124	0	57	-1.0	-50.21	426.21	10.06	-40.15
CCCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302124	1	57	-1.0	-50.18	426.27	10.08	-40.10
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302125	0	54	-1.0	-50.04	412.06	9.12	-40.92
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302125	1	54	-1.0	-50.03	412.12	9.14	-40.89
CNC(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302126	0	48	-1.0	-59.52	403.04	4.41	-55.11
CNC(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302126	1	48	-1.0	-59.53	403.10	4.42	-55.11
CNC(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302127	0	45	-1.0	-56.77	386.99	3.55	-53.22
CNC(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302127	1	45	-1.0	-56.79	386.94	3.52	-53.27
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CSC=C2)=NO1	REAL300020302128	0	45	-1.0	-39.80	395.63	7.81	-31.99
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CSC=C2)=NO1	REAL300020302128	1	45	-1.0	-39.84	395.69	7.83	-32.01
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CSC=C2)=NO1	REAL300020302129	0	42	-1.0	-43.53	373.58	7.20	-36.33
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CSC=C2)=NO1	REAL300020302129	1	42	-1.0	-43.52	373.54	7.17	-36.35
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCCC2)=NO1	REAL300020302130	0	45	-1.0	-47.13	372.63	7.32	-39.81
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCCC2)=NO1	REAL300020302130	1	45	-1.0	-47.16	372.69	7.33	-39.83
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCC2)=NO1	REAL300020302131	0	42	-1.0	-43.98	351.78	6.59	-37.39
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCC2)=NO1	REAL300020302131	1	42	-1.0	-44.00	351.72	6.56	-37.44
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N2CCCCC2)=NO1	REAL300020302132	0	49	-1.0	-47.17	400.77	9.41	-37.76
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N2CCCCC2)=NO1	REAL300020302132	1	49	-1.0	-47.13	400.83	9.40	-37.73
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CC(N)=O)CC2)=NO1	REAL300020302133	0	49	-1.0	-50.50	401.84	4.14	-46.36
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CC(N)=O)CC2)=NO1	REAL300020302133	1	49	-1.0	-50.52	401.87	4.17	-46.35
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCOCC2CC2)=NO1	REAL300020302134	0	52	-1.0	-42.37	436.39	7.66	-34.71
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCOCC2CC2)=NO1	REAL300020302134	1	52	-1.0	-42.39	436.45	7.67	-34.72
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCOCC2CC2)=NO1	REAL300020302135	0	49	-1.0	-46.60	414.38	6.89	-39.71
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCOCC2CC2)=NO1	REAL300020302135	1	49	-1.0	-46.60	414.43	6.91	-39.69
COCCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302136	0	52	-1.0	-47.80	437.85	5.15	-42.65
COCCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302136	1	52	-1.0	-47.82	437.90	5.19	-42.63
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(CCOC3)C2)=NO1	REAL300020302137	0	50	-1.0	-41.71	392.11	6.47	-35.24
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(CCOC3)C2)=NO1	REAL300020302137	1	50	-1.0	-41.77	392.17	6.48	-35.29
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCOC3)C2)=NO1	REAL300020302138	0	47	-1.0	-46.64	372.85	5.77	-40.87
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCOC3)C2)=NO1	REAL300020302138	1	47	-1.0	-46.65	372.79	5.75	-40.90
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C[C@H]2CCCO2)=NO1	REAL300020302139	0	49	-1.0	-42.27	404.66	6.21	-36.06
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C[C@H]2CCCO2)=NO1	REAL300020302139	1	49	-1.0	-42.30	404.72	6.23	-36.07
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C[C@H]2CCCO2)=NO1	REAL300020302140	0	46	-1.0	-48.62	380.66	5.52	-43.10
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C[C@H]2CCCO2)=NO1	REAL300020302140	1	46	-1.0	-48.66	380.60	5.50	-43.16
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC(C(C)C)C2)=NO1	REAL300020302141	0	52	-1.0	-47.44	422.58	6.97	-40.47
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC(C(C)C)C2)=NO1	REAL300020302141	1	52	-1.0	-47.49	422.64	6.99	-40.50
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C(C)C)C2)=NO1	REAL300020302142	0	49	-1.0	-43.58	401.68	6.22	-37.36
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C(C)C)C2)=NO1	REAL300020302142	1	49	-1.0	-43.57	401.73	6.24	-37.33
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302143	0	50	-1.0	-42.40	416.56	5.07	-37.33
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302143	1	50	-1.0	-42.39	416.61	5.08	-37.31
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302144	0	47	-1.0	-43.93	397.42	4.15	-39.78
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302144	1	47	-1.0	-43.90	397.48	4.17	-39.73
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC3(CCOC3)C2)=NO1	REAL300020302145	0	48	-1.0	-53.40	373.35	4.79	-48.61
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC3(CCOC3)C2)=NO1	REAL300020302145	1	48	-1.0	-53.34	373.40	4.79	-48.55
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C(F)(F)F)C2)=NO1	REAL300020302146	0	43	-1.0	-43.23	381.82	5.29	-37.94
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C(F)(F)F)C2)=NO1	REAL300020302146	1	43	-1.0	-43.18	381.87	5.31	-37.87
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=NC=CS2)=NO1	REAL300020302147	0	44	-1.0	-40.52	392.33	6.24	-34.28
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=NC=CS2)=NO1	REAL300020302147	1	44	-1.0	-40.53	392.38	6.25	-34.28
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=NC=CS2)=NO1	REAL300020302148	0	41	-1.0	-47.43	360.83	5.56	-41.87
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=NC=CS2)=NO1	REAL300020302148	1	41	-1.0	-47.47	360.77	5.54	-41.93
CCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302149	0	52	-1.0	-49.30	423.01	7.35	-41.95
CCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302149	1	52	-1.0	-49.30	423.07	7.36	-41.94
CCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302150	0	49	-1.0	-44.14	390.75	6.87	-37.27
CCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302150	1	49	-1.0	-44.09	390.80	6.89	-37.20
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CCOC2)=NO1	REAL300020302151	0	49	-1.0	-50.15	385.73	6.24	-43.91
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CCOC2)=NO1	REAL300020302151	1	49	-1.0	-50.10	385.79	6.25	-43.85
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CCOC2)=NO1	REAL300020302152	0	46	-1.0	-49.77	371.60	5.32	-44.45
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CCOC2)=NO1	REAL300020302152	1	46	-1.0	-49.73	371.55	5.30	-44.43
CCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302153	0	52	-1.0	-51.24	433.26	5.69	-45.55
CCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302153	1	52	-1.0	-51.19	433.31	5.72	-45.47
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C3=CC=CO3)C2)=NO1	REAL300020302154	0	47	-1.0	-47.15	403.76	6.40	-40.75
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C3=CC=CO3)C2)=NO1	REAL300020302154	1	47	-1.0	-47.09	403.82	6.42	-40.67
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C#N)CC2)=NO1	REAL300020302155	0	46	-1.0	-49.13	392.81	7.59	-41.54
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C#N)CC2)=NO1	REAL300020302155	1	46	-1.0	-49.11	392.87	7.61	-41.50
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C#N)CC2)=NO1	REAL300020302156	0	43	-1.0	-45.44	368.19	6.86	-38.58
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C#N)CC2)=NO1	REAL300020302156	1	43	-1.0	-45.47	368.15	6.84	-38.63
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN3C(=O)CCC3C2)=NO1	REAL300020302157	0	50	-1.0	-51.51	403.14	6.69	-44.82
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN3C(=O)CCC3C2)=NO1	REAL300020302157	1	50	-1.0	-51.57	403.19	6.70	-44.87
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN3C(=O)CCC3C2)=NO1	REAL300020302158	0	47	-1.0	-51.29	393.50	5.90	-45.39
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN3C(=O)CCC3C2)=NO1	REAL300020302158	1	47	-1.0	-51.26	393.44	5.88	-45.38
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC(C(N)=O)C2)=NO1	REAL300020302159	0	47	-1.0	-47.11	401.75	2.83	-44.28
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC(C(N)=O)C2)=NO1	REAL300020302159	1	47	-1.0	-47.20	401.80	2.84	-44.36
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C(N)=O)C2)=NO1	REAL300020302160	0	44	-1.0	-48.62	380.30	2.08	-46.54
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C(N)=O)C2)=NO1	REAL300020302160	1	44	-1.0	-48.61	380.25	2.05	-46.56
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC(C)(C)C2)=NO1	REAL300020302161	0	49	-1.0	-41.62	401.28	6.50	-35.12
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC(C)(C)C2)=NO1	REAL300020302161	1	49	-1.0	-41.60	401.34	6.52	-35.08
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C)(C)C2)=NO1	REAL300020302162	0	46	-1.0	-44.88	375.40	5.96	-38.92
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C)(C)C2)=NO1	REAL300020302162	1	46	-1.0	-44.94	375.35	5.93	-39.01
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302163	0	51	-1.0	-48.79	400.40	8.52	-40.27
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302163	1	51	-1.0	-48.79	400.46	8.54	-40.25
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302164	0	48	-1.0	-49.67	378.99	7.76	-41.91
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302164	1	48	-1.0	-49.66	378.93	7.74	-41.92
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC(F)(F)F)=NO1	REAL300020302165	0	41	-1.0	-51.99	346.49	6.60	-45.39
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC(F)(F)F)=NO1	REAL300020302165	1	41	-1.0	-51.97	346.55	6.62	-45.35
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC(F)(F)F)=NO1	REAL300020302166	0	38	-1.0	-48.16	345.50	5.35	-42.81
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC(F)(F)F)=NO1	REAL300020302166	1	38	-1.0	-48.12	345.56	5.36	-42.76
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC(C)C#N)=NO1	REAL300020302167	0	45	-1.0	-51.77	382.69	7.57	-44.20
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC(C)C#N)=NO1	REAL300020302167	1	45	-1.0	-51.81	382.71	7.59	-44.22
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC(C)C#N)=NO1	REAL300020302168	0	42	-1.0	-48.46	366.71	6.73	-41.73
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC(C)C#N)=NO1	REAL300020302168	1	42	-1.0	-48.47	366.66	6.70	-41.77
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC([NH+]3CCCC3)C2)=NO1	REAL300020302169	0	55	0.0	-67.04	420.24	8.64	-58.40
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC([NH+]3CCCC3)C2)=NO1	REAL300020302169	1	55	0.0	-67.05	420.30	8.67	-58.38
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(CC(N)=O)C2)=NO1	REAL300020302170	0	49	-1.0	-52.76	390.18	3.30	-49.46
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(CC(N)=O)C2)=NO1	REAL300020302170	1	49	-1.0	-52.77	390.24	3.32	-49.45
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCC2CCCCC2)=NO1	REAL300020302171	0	57	-1.0	-41.62	451.67	9.99	-31.63
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCC2CCCCC2)=NO1	REAL300020302171	1	57	-1.0	-41.63	451.73	10.00	-31.63
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCC2CCCCC2)=NO1	REAL300020302172	0	54	-1.0	-43.02	425.17	9.23	-33.79
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCC2CCCCC2)=NO1	REAL300020302172	1	54	-1.0	-43.05	425.21	9.25	-33.80
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCNC(=O)C2)=NO1	REAL300020302173	0	43	-1.0	-52.26	351.19	3.22	-49.04
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCNC(=O)C2)=NO1	REAL300020302173	1	43	-1.0	-52.28	351.25	3.23	-49.05
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCNC(=O)C2)=NO1	REAL300020302174	0	40	-1.0	-55.44	336.13	1.49	-53.95
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCNC(=O)C2)=NO1	REAL300020302174	1	40	-1.0	-55.49	336.07	1.47	-54.02
CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302175	0	49	-1.0	-49.52	408.95	4.68	-44.84
CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302175	1	49	-1.0	-49.51	409.01	4.71	-44.80
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302176	0	48	-1.0	-47.22	405.84	7.15	-40.07
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302176	1	48	-1.0	-47.19	405.90	7.17	-40.02
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCOC2=CC=CC=C2)=NO1	REAL300020302177	0	49	-1.0	-45.05	412.02	7.96	-37.09
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCOC2=CC=CC=C2)=NO1	REAL300020302177	1	49	-1.0	-45.05	412.07	7.97	-37.08
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302178	0	49	-1.0	-46.72	406.54	7.77	-38.95
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302178	1	49	-1.0	-46.71	406.49	7.75	-38.96
CCC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C=C1	REAL300020302179	0	51	-1.0	-44.51	426.19	9.66	-34.85
CCC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C=C1	REAL300020302179	1	51	-1.0	-44.48	426.14	9.65	-34.83
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302180	0	49	-1.0	-42.01	405.27	6.54	-35.47
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302180	1	49	-1.0	-42.05	405.33	6.56	-35.49
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302181	0	46	-1.0	-48.69	372.45	5.55	-43.14
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302181	1	46	-1.0	-48.70	372.39	5.52	-43.18
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302182	0	51	-1.0	-45.76	418.09	3.78	-41.98
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302182	1	51	-1.0	-45.75	418.14	3.82	-41.93
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302182	1	52	0.0	-77.62	413.93	6.78	-70.84
COC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302183	0	48	-1.0	-48.46	406.42	7.15	-41.31
COC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302183	1	48	-1.0	-48.48	406.48	7.17	-41.31
CCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302184	0	48	-1.0	-47.86	398.65	6.18	-41.68
CCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302184	1	48	-1.0	-47.85	398.71	6.19	-41.66
CCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302185	0	45	-1.0	-46.79	382.73	5.30	-41.49
CCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302185	1	45	-1.0	-46.78	382.67	5.28	-41.50
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCC2CCOCC2)=NO1	REAL300020302186	0	52	-1.0	-43.99	421.37	6.78	-37.21
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCC2CCOCC2)=NO1	REAL300020302186	1	52	-1.0	-43.98	421.43	6.80	-37.18
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC3(CCCC3)C2)=NO1	REAL300020302187	0	53	-1.0	-40.52	423.39	7.54	-32.98
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC3(CCCC3)C2)=NO1	REAL300020302187	1	53	-1.0	-40.54	423.45	7.55	-32.99
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC3(CCCC3)C2)=NO1	REAL300020302188	0	50	-1.0	-49.21	391.25	6.66	-42.55
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC3(CCCC3)C2)=NO1	REAL300020302188	1	50	-1.0	-49.25	391.30	6.68	-42.57
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCS(C)(=O)=O)=NO1	REAL300020302189	0	47	-1.0	-63.48	407.06	3.65	-59.83
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCS(C)(=O)=O)=NO1	REAL300020302189	1	47	-1.0	-63.44	407.12	3.66	-59.78
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCS(C)(=O)=O)=NO1	REAL300020302190	0	44	-1.0	-60.75	390.97	2.76	-57.99
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCS(C)(=O)=O)=NO1	REAL300020302190	1	44	-1.0	-60.72	391.02	2.79	-57.93
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302191	0	48	-1.0	-48.80	385.76	7.67	-41.13
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302191	1	48	-1.0	-48.80	385.81	7.69	-41.11
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302192	0	45	-1.0	-49.49	364.32	6.91	-42.58
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302192	1	45	-1.0	-49.45	364.27	6.89	-42.56
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(CCC3)C2)=NO1	REAL300020302193	0	49	-1.0	-49.15	394.47	8.48	-40.67
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(CCC3)C2)=NO1	REAL300020302193	1	49	-1.0	-49.14	394.53	8.49	-40.65
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCC3)C2)=NO1	REAL300020302194	0	46	-1.0	-49.31	373.04	7.72	-41.59
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCC3)C2)=NO1	REAL300020302194	1	46	-1.0	-49.25	372.98	7.69	-41.56
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(F)(C#N)C2)=NO1	REAL300020302195	0	43	-1.0	-54.65	373.04	6.97	-47.68
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(F)(C#N)C2)=NO1	REAL300020302195	1	43	-1.0	-54.65	373.10	6.99	-47.66
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(F)(C#N)C2)=NO1	REAL300020302196	0	40	-1.0	-50.39	351.84	6.23	-44.16
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(F)(C#N)C2)=NO1	REAL300020302196	1	40	-1.0	-50.34	351.79	6.21	-44.13
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(OCC(C)C)C2)=NO1	REAL300020302197	0	52	-1.0	-54.38	413.16	8.13	-46.25
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(OCC(C)C)C2)=NO1	REAL300020302197	1	52	-1.0	-54.43	413.21	8.14	-46.29
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CCC(C)C)CC2)=NO1	REAL300020302198	0	57	-1.0	-44.71	447.12	10.09	-34.62
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CCC(C)C)CC2)=NO1	REAL300020302198	1	57	-1.0	-44.70	447.15	10.12	-34.58
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(CC(C)C)CC2)=NO1	REAL300020302199	0	57	-1.0	-41.11	451.03	9.87	-31.24
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(CC(C)C)CC2)=NO1	REAL300020302199	1	57	-1.0	-41.13	451.09	9.88	-31.25
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CC(C)C)CC2)=NO1	REAL300020302200	0	54	-1.0	-43.91	425.73	9.08	-34.83
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CC(C)C)CC2)=NO1	REAL300020302200	1	54	-1.0	-43.90	425.77	9.11	-34.79
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(OC(C)C)CC2)=NO1	REAL300020302201	0	52	-1.0	-43.70	423.18	7.31	-36.39
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(OC(C)C)CC2)=NO1	REAL300020302201	1	52	-1.0	-43.72	423.22	7.33	-36.39
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=COC=C2)=NO1	REAL300020302202	0	45	-1.0	-42.34	389.97	6.99	-35.35
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=COC=C2)=NO1	REAL300020302202	1	45	-1.0	-42.37	390.03	7.00	-35.37
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=COC=C2)=NO1	REAL300020302203	0	42	-1.0	-49.09	356.05	6.15	-42.94
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=COC=C2)=NO1	REAL300020302203	1	42	-1.0	-49.08	356.00	6.13	-42.95
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](C(C)(C)C)CC2)=NO1	REAL300020302204	0	54	0.0	-71.79	410.52	8.27	-63.52
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C(C)(C)C)CC2)=NO1	REAL300020302204	1	54	0.0	-71.81	410.57	8.29	-63.52
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCC2=CC=CC=C2F)=NO1	REAL300020302205	0	48	-1.0	-46.38	411.15	9.11	-37.27
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCC2=CC=CC=C2F)=NO1	REAL300020302205	1	48	-1.0	-46.35	411.11	9.08	-37.27
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC(C)(C)C)=NO1	REAL300020302206	0	50	-1.0	-49.28	393.54	8.53	-40.75
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC(C)(C)C)=NO1	REAL300020302206	1	50	-1.0	-49.26	393.60	8.54	-40.72
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC(C)(C)C)=NO1	REAL300020302207	0	47	-1.0	-46.96	380.48	7.51	-39.45
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC(C)(C)C)=NO1	REAL300020302207	1	47	-1.0	-46.99	380.43	7.49	-39.50
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CCCCO2)=NO1	REAL300020302208	0	52	-1.0	-50.38	404.89	7.31	-43.07
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CCCCO2)=NO1	REAL300020302208	1	52	-1.0	-50.37	404.94	7.32	-43.05
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CCCCO2)=NO1	REAL300020302209	0	49	-1.0	-51.06	390.75	6.35	-44.71
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CCCCO2)=NO1	REAL300020302209	1	49	-1.0	-51.09	390.81	6.38	-44.71
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=C(C)OC=C2)=NO1	REAL300020302210	0	48	-1.0	-41.29	407.39	7.85	-33.44
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=C(C)OC=C2)=NO1	REAL300020302210	1	48	-1.0	-41.33	407.45	7.87	-33.46
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=C(C)OC=C2)=NO1	REAL300020302211	0	45	-1.0	-48.62	377.55	6.97	-41.65
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=C(C)OC=C2)=NO1	REAL300020302211	1	45	-1.0	-48.65	377.49	6.95	-41.70
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC(F)=C2)=NO1	REAL300020302212	0	48	-1.0	-48.64	395.27	9.14	-39.50
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC(F)=C2)=NO1	REAL300020302212	1	48	-1.0	-48.63	395.33	9.15	-39.48
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC(F)=C2)=NO1	REAL300020302213	0	45	-1.0	-47.32	381.09	8.22	-39.10
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC(F)=C2)=NO1	REAL300020302213	1	45	-1.0	-47.33	381.03	8.20	-39.13
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC=C2C)=NO1	REAL300020302214	0	51	-1.0	-41.47	423.87	9.89	-31.58
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC=C2C)=NO1	REAL300020302214	1	51	-1.0	-41.47	423.93	9.90	-31.57
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC=C2C)=NO1	REAL300020302215	0	48	-1.0	-43.50	397.51	9.11	-34.39
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC=C2C)=NO1	REAL300020302215	1	48	-1.0	-43.45	397.45	9.10	-34.35
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=C(Cl)C=C2)=NO1	REAL300020302216	0	45	-1.0	-42.77	400.03	8.75	-34.02
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=C(Cl)C=C2)=NO1	REAL300020302216	1	45	-1.0	-42.72	399.97	8.73	-33.99
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020302217	0	54	0.0	-73.12	420.84	8.41	-64.71
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020302217	1	54	0.0	-75.35	414.94	8.25	-67.10
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1C	REAL300020302217	1	53	-1.0	-41.22	421.83	6.28	-34.94
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020302217	1	53	-1.0	-41.23	421.89	6.29	-34.94
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020302218	0	51	0.0	-58.12	405.30	7.57	-50.55
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020302218	1	51	0.0	-73.01	388.79	7.63	-65.38
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1C	REAL300020302218	1	51	0.0	-58.12	405.23	7.55	-50.57
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1C	REAL300020302218	1	51	0.0	-73.02	388.74	7.61	-65.41
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1C	REAL300020302218	1	50	-1.0	-44.13	402.15	5.55	-38.58
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1C	REAL300020302218	1	50	-1.0	-44.08	402.10	5.52	-38.56
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CCOCC2)=NO1	REAL300020302219	0	52	-1.0	-42.31	414.07	7.65	-34.66
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CCOCC2)=NO1	REAL300020302219	1	52	-1.0	-42.38	414.13	7.66	-34.72
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CCOCC2)=NO1	REAL300020302220	0	49	-1.0	-44.51	385.92	6.96	-37.55
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CCOCC2)=NO1	REAL300020302220	1	49	-1.0	-44.55	385.96	6.98	-37.57
C=C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302221	0	46	-1.0	-41.81	366.08	7.41	-34.40
C=C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302221	1	46	-1.0	-41.80	366.14	7.43	-34.37
C=C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302222	0	43	-1.0	-48.82	348.43	6.39	-42.43
C=C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302222	1	43	-1.0	-48.78	348.37	6.36	-42.42
CCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302223	0	50	-1.0	-48.96	400.69	8.78	-40.18
CCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302223	1	50	-1.0	-48.97	400.75	8.80	-40.17
CCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302224	0	47	-1.0	-46.87	385.08	7.96	-38.91
CCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302224	1	47	-1.0	-46.92	385.02	7.93	-38.99
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C3=CC=CO3)C2)=NO1	REAL300020302225	0	49	-1.0	-45.30	407.32	8.29	-37.01
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C3=CC=CO3)C2)=NO1	REAL300020302225	1	49	-1.0	-45.30	407.38	8.30	-37.00
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=CC=CO3)C2)=NO1	REAL300020302226	0	46	-1.0	-57.82	375.37	8.04	-49.78
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=CC=CO3)C2)=NO1	REAL300020302226	1	46	-1.0	-57.85	375.32	8.04	-49.81
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C(C)(C)C)CC2)=NO1	REAL300020302227	0	57	-1.0	-46.69	441.51	9.30	-37.39
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C(C)(C)C)CC2)=NO1	REAL300020302227	1	57	-1.0	-46.69	441.57	9.32	-37.37
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C(C)(C)C)CC2)=NO1	REAL300020302228	0	54	-1.0	-44.76	416.20	8.75	-36.01
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C(C)(C)C)CC2)=NO1	REAL300020302228	1	54	-1.0	-44.80	416.23	8.78	-36.02
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)C2)=NO1	REAL300020302229	0	45	-1.0	-40.28	358.91	7.56	-32.72
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)C2)=NO1	REAL300020302229	1	45	-1.0	-40.27	358.97	7.57	-32.70
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)C2)=NO1	REAL300020302230	0	42	-1.0	-43.72	334.59	6.93	-36.79
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)C2)=NO1	REAL300020302230	1	42	-1.0	-43.69	334.54	6.90	-36.79
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N2CCC(C)C2)=NO1	REAL300020302231	0	49	-1.0	-44.23	394.63	9.17	-35.06
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N2CCC(C)C2)=NO1	REAL300020302231	1	49	-1.0	-44.18	394.67	9.16	-35.02
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(CCCC3)C2)=NO1	REAL300020302232	0	52	-1.0	-42.33	405.88	8.81	-33.52
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(CCCC3)C2)=NO1	REAL300020302232	1	52	-1.0	-42.33	405.94	8.82	-33.51
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCCC3)C2)=NO1	REAL300020302233	0	49	-1.0	-47.05	381.79	8.18	-38.87
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCCC3)C2)=NO1	REAL300020302233	1	49	-1.0	-47.07	381.75	8.17	-38.90
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302234	0	52	-1.0	-40.73	425.19	7.00	-33.73
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302234	1	52	-1.0	-40.78	425.24	7.01	-33.77
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302235	0	49	-1.0	-49.08	393.65	6.20	-42.88
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302235	1	49	-1.0	-49.06	393.70	6.22	-42.84
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(S(C)(=O)=O)C2)=NO1	REAL300020302236	0	45	-1.0	-65.76	383.78	3.00	-62.76
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(S(C)(=O)=O)C2)=NO1	REAL300020302236	1	45	-1.0	-65.77	383.84	3.03	-62.74
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(C)(C#N)C2)=NO1	REAL300020302237	0	49	-1.0	-52.57	392.02	8.23	-44.34
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(C)(C#N)C2)=NO1	REAL300020302237	1	49	-1.0	-52.61	392.07	8.24	-44.37
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C)(C#N)C2)=NO1	REAL300020302238	0	46	-1.0	-54.25	377.89	7.31	-46.94
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C)(C#N)C2)=NO1	REAL300020302238	1	46	-1.0	-54.25	377.83	7.29	-46.96
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC3(CCC3)C2)=NO1	REAL300020302239	0	50	-1.0	-48.82	398.68	6.78	-42.04
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC3(CCC3)C2)=NO1	REAL300020302239	1	50	-1.0	-48.85	398.73	6.79	-42.06
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC3(CCC3)C2)=NO1	REAL300020302240	0	47	-1.0	-43.42	388.87	6.04	-37.38
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC3(CCC3)C2)=NO1	REAL300020302240	1	47	-1.0	-43.44	388.81	6.02	-37.42
CCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302241	0	52	-1.0	-48.60	412.02	7.28	-41.32
CCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302241	1	52	-1.0	-48.56	412.08	7.29	-41.27
CCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302242	0	49	-1.0	-47.16	396.02	6.40	-40.76
CCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302242	1	49	-1.0	-47.18	395.96	6.38	-40.80
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302243	0	47	-1.0	-60.22	412.43	3.65	-56.57
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302243	1	47	-1.0	-60.17	412.49	3.68	-56.49
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(CCO3)CC2)=NO1	REAL300020302244	0	50	-1.0	-50.71	410.28	6.57	-44.14
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(CCO3)CC2)=NO1	REAL300020302244	1	50	-1.0	-50.72	410.33	6.58	-44.14
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCO3)CC2)=NO1	REAL300020302245	0	47	-1.0	-56.75	382.41	6.29	-50.46
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCO3)CC2)=NO1	REAL300020302245	1	47	-1.0	-56.74	382.45	6.32	-50.42
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN3C(=O)OCC3C2)=NO1	REAL300020302246	0	45	-1.0	-55.57	359.22	5.06	-50.51
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN3C(=O)OCC3C2)=NO1	REAL300020302246	1	45	-1.0	-55.64	359.18	5.05	-50.59
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CC(F)(F)F)C2)=NO1	REAL300020302247	0	45	-1.0	-48.36	380.05	7.18	-41.18
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CC(F)(F)F)C2)=NO1	REAL300020302247	1	45	-1.0	-48.40	380.11	7.21	-41.19
CC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302248	0	49	-1.0	-47.53	411.68	4.91	-42.62
CC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302248	1	49	-1.0	-47.52	411.63	4.89	-42.63
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCC2=CC=CC=C2)=NO1	REAL300020302249	0	51	-1.0	-42.99	430.88	9.83	-33.16
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCC2=CC=CC=C2)=NO1	REAL300020302249	1	51	-1.0	-42.98	430.94	9.85	-33.13
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCC2=CC=CC=C2)=NO1	REAL300020302250	0	48	-1.0	-44.67	409.44	9.07	-35.60
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCC2=CC=CC=C2)=NO1	REAL300020302250	1	48	-1.0	-44.64	409.38	9.05	-35.59
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](C3CCCC3)CC2)=NO1	REAL300020302251	0	55	0.0	-59.89	428.42	8.94	-50.95
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C3CCCC3)CC2)=NO1	REAL300020302251	1	55	0.0	-59.84	428.47	8.97	-50.87
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[NH+](C(C)C)CC2)=NO1	REAL300020302252	0	54	0.0	-72.11	422.27	8.09	-64.02
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN(C(C)C)CC2)=NO1	REAL300020302252	1	53	-1.0	-46.71	420.55	5.90	-40.81
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN(C(C)C)CC2)=NO1	REAL300020302252	1	53	-1.0	-46.69	420.60	5.92	-40.77
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[NH+](C(C)C)CC2)=NO1	REAL300020302253	0	51	0.0	-73.78	394.28	7.82	-65.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[NH+](C(C)C)CC2)=NO1	REAL300020302253	1	51	0.0	-73.82	394.33	7.83	-65.99
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(C(C)C)CC2)=NO1	REAL300020302253	1	50	-1.0	-43.54	402.60	5.32	-38.22
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(C(C)C)CC2)=NO1	REAL300020302253	1	50	-1.0	-43.56	402.66	5.35	-38.21
COCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302254	0	45	-1.0	-48.12	376.81	5.20	-42.92
COCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302254	1	45	-1.0	-48.15	376.87	5.22	-42.93
COCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302255	0	42	-1.0	-46.94	360.84	4.34	-42.60
COCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302255	1	42	-1.0	-46.96	360.78	4.32	-42.64
COCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1	REAL300020302256	0	49	-1.0	-47.33	410.38	7.20	-40.13
COCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1	REAL300020302256	1	49	-1.0	-47.27	410.42	7.20	-40.07
CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302257	0	51	-1.0	-41.24	408.19	7.55	-33.69
CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302257	1	51	-1.0	-41.24	408.25	7.56	-33.68
CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302258	0	48	-1.0	-54.91	363.86	6.99	-47.92
CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302258	1	48	-1.0	-54.94	363.80	6.98	-47.96
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC=N2)=NO1	REAL300020302259	0	47	-1.0	-43.60	404.17	7.45	-36.15
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC=N2)=NO1	REAL300020302259	1	47	-1.0	-43.58	404.22	7.47	-36.11
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC=N2)=NO1	REAL300020302260	0	44	-1.0	-46.62	377.26	6.71	-39.91
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC=N2)=NO1	REAL300020302260	1	44	-1.0	-46.60	377.21	6.70	-39.90
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCCCC2)=NO1	REAL300020302261	0	48	-1.0	-40.95	366.65	7.99	-32.96
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCCCC2)=NO1	REAL300020302261	1	48	-1.0	-40.95	366.70	8.00	-32.95
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCCC2)=NO1	REAL300020302262	0	45	-1.0	-47.65	361.24	6.86	-40.79
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCCC2)=NO1	REAL300020302262	1	45	-1.0	-47.66	361.18	6.84	-40.82
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C(C)C2=CC=CC=C2)=NO1	REAL300020302263	0	51	-1.0	-41.56	422.25	9.34	-32.22
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C(C)C2=CC=CC=C2)=NO1	REAL300020302263	1	51	-1.0	-41.50	422.31	9.36	-32.14
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C(C)C2=CC=CC=C2)=NO1	REAL300020302264	0	48	-1.0	-43.44	401.12	8.57	-34.87
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C(C)C2=CC=CC=C2)=NO1	REAL300020302264	1	48	-1.0	-43.43	401.06	8.54	-34.89
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2=CC=CC=C2)=NO1	REAL300020302265	0	45	-1.0	-42.81	384.14	9.52	-33.29
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2=CC=CC=C2)=NO1	REAL300020302265	1	45	-1.0	-42.87	384.20	9.53	-33.34
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2=CC=CC=C2)=NO1	REAL300020302266	0	42	-1.0	-44.54	357.32	8.80	-35.74
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2=CC=CC=C2)=NO1	REAL300020302266	1	42	-1.0	-44.54	357.28	8.77	-35.77
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCOCC2)=NO1	REAL300020302267	0	46	-1.0	-41.07	377.13	5.41	-35.66
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCOCC2)=NO1	REAL300020302267	1	46	-1.0	-41.06	377.19	5.43	-35.63
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCOCC2)=NO1	REAL300020302268	0	43	-1.0	-52.26	348.86	5.28	-46.98
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCOCC2)=NO1	REAL300020302268	1	43	-1.0	-52.26	348.81	5.26	-47.00
COC1=CC=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C=C1	REAL300020302269	0	46	-1.0	-43.04	391.42	8.77	-34.27
COC1=CC=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C=C1	REAL300020302269	1	46	-1.0	-43.03	391.36	8.76	-34.27
COC1=CC=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C=C1	REAL300020302270	0	43	-1.0	-52.58	372.25	8.04	-44.54
COC1=CC=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C=C1	REAL300020302270	1	43	-1.0	-52.56	372.19	8.01	-44.55
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CCSC2)=NO1	REAL300020302271	0	46	-1.0	-50.07	374.71	7.68	-42.39
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CCSC2)=NO1	REAL300020302271	1	46	-1.0	-50.05	374.75	7.70	-42.35
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCSC2)=NO1	REAL300020302272	0	43	-1.0	-48.31	361.51	6.84	-41.47
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCSC2)=NO1	REAL300020302272	1	43	-1.0	-48.34	361.46	6.81	-41.53
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302273	0	54	0.0	-74.10	412.27	8.67	-65.43
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302273	1	54	0.0	-74.13	412.32	8.69	-65.44
COC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C12CCC2	REAL300020302274	0	53	-1.0	-50.46	430.24	7.42	-43.04
COC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C12CCC2	REAL300020302274	1	53	-1.0	-50.46	430.30	7.45	-43.01
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCCCCCC2)=NO1	REAL300020302275	0	54	-1.0	-40.34	407.83	9.06	-31.28
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCCCCCC2)=NO1	REAL300020302275	1	54	-1.0	-40.39	407.89	9.08	-31.31
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCCCCC2)=NO1	REAL300020302276	0	51	-1.0	-45.37	371.59	8.70	-36.67
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCCCCC2)=NO1	REAL300020302276	1	51	-1.0	-45.39	371.55	8.67	-36.72
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOCC3(CC3)C2)=NO1	REAL300020302277	0	50	-1.0	-50.96	390.83	7.07	-43.89
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOCC3(CC3)C2)=NO1	REAL300020302277	1	50	-1.0	-50.96	390.88	7.09	-43.87
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOCC3(CC3)C2)=NO1	REAL300020302278	0	47	-1.0	-45.13	381.59	6.19	-38.94
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOCC3(CC3)C2)=NO1	REAL300020302278	1	47	-1.0	-45.16	381.55	6.18	-38.98
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOCC(C3CCC3)C2)=NO1	REAL300020302279	0	53	-1.0	-45.41	416.08	7.65	-37.76
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOCC(C3CCC3)C2)=NO1	REAL300020302279	1	53	-1.0	-45.45	416.12	7.67	-37.78
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOCC3(CCC3)C2)=NO1	REAL300020302280	0	53	-1.0	-41.97	421.83	7.68	-34.29
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOCC3(CCC3)C2)=NO1	REAL300020302280	1	53	-1.0	-42.01	421.89	7.70	-34.31
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOCC3(CCC3)C2)=NO1	REAL300020302281	0	50	-1.0	-43.82	382.43	7.68	-36.14
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOCC3(CCC3)C2)=NO1	REAL300020302281	1	50	-1.0	-43.83	382.47	7.69	-36.14
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[N@@H+](C(C)C)CC2)=NO1	REAL300020302282	0	54	0.0	-59.71	413.57	8.31	-51.40
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[N@H+](C(C)C)CC2)=NO1	REAL300020302282	1	54	0.0	-69.94	403.05	8.14	-61.80
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[N@@H+](C(C)C)CC2)=NO1	REAL300020302282	1	54	0.0	-59.72	413.61	8.32	-51.40
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[N@H+](C(C)C)CC2)=NO1	REAL300020302282	1	54	0.0	-69.96	403.10	8.17	-61.79
CON(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302283	0	39	-1.0	-41.79	331.69	6.20	-35.59
CON(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302283	1	39	-1.0	-41.79	331.74	6.22	-35.57
CON(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302284	0	36	-1.0	-47.45	323.08	5.05	-42.40
CON(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302284	1	36	-1.0	-47.49	323.04	5.02	-42.47
CON(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1	REAL300020302285	0	43	-1.0	-48.89	372.80	7.91	-40.98
CON(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1	REAL300020302285	1	43	-1.0	-48.86	372.85	7.90	-40.96
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCOC(C)C2)=NO1	REAL300020302286	0	49	-1.0	-41.13	398.64	6.42	-34.71
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCOC(C)C2)=NO1	REAL300020302286	1	49	-1.0	-41.16	398.70	6.43	-34.73
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCOC(C)C2)=NO1	REAL300020302287	0	46	-1.0	-44.50	375.60	5.74	-38.76
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCOC(C)C2)=NO1	REAL300020302287	1	46	-1.0	-44.57	375.56	5.71	-38.86
CCC1C(=O)NCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302288	0	49	-1.0	-50.92	405.43	4.73	-46.19
CCC1C(=O)NCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302288	1	49	-1.0	-50.90	405.48	4.74	-46.16
CCC1C(=O)NCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302289	0	46	-1.0	-53.32	374.90	4.71	-48.61
CCC1C(=O)NCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302289	1	46	-1.0	-53.30	374.84	4.70	-48.60
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302290	0	49	-1.0	-49.06	399.17	4.94	-44.12
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302290	1	49	-1.0	-49.05	399.23	4.95	-44.10
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302291	0	46	-1.0	-63.48	374.51	3.28	-60.20
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302291	1	46	-1.0	-63.48	374.46	3.25	-60.23
COC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302292	0	46	-1.0	-42.77	382.72	4.99	-37.78
COC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302292	1	46	-1.0	-42.79	382.78	5.00	-37.79
COC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302293	0	43	-1.0	-46.97	358.52	4.36	-42.61
COC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302293	1	43	-1.0	-47.01	358.48	4.33	-42.68
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC2(C)C)=NO1	REAL300020302294	0	48	-1.0	-49.33	377.27	7.04	-42.29
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC2(C)C)=NO1	REAL300020302294	1	48	-1.0	-49.36	377.33	7.05	-42.31
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2(C)C)=NO1	REAL300020302295	0	45	-1.0	-45.42	366.87	6.23	-39.19
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2(C)C)=NO1	REAL300020302295	1	45	-1.0	-45.44	366.81	6.20	-39.24
CCC1CC(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302296	0	51	-1.0	-41.07	407.84	7.68	-33.39
CCC1CC(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302296	1	51	-1.0	-41.02	407.90	7.69	-33.33
CCC1CC(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302297	0	48	-1.0	-44.44	371.97	7.62	-36.82
CCC1CC(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302297	1	48	-1.0	-44.45	371.92	7.60	-36.85
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC(C)C2)=NO1	REAL300020302298	0	46	-1.0	-48.59	361.79	5.19	-43.40
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC(C)C2)=NO1	REAL300020302298	1	46	-1.0	-48.58	361.85	5.21	-43.37
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C)C2)=NO1	REAL300020302299	0	43	-1.0	-44.03	363.20	5.10	-38.93
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C)C2)=NO1	REAL300020302299	1	43	-1.0	-44.04	363.14	5.07	-38.97
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCCC2CC(C)C)=NO1	REAL300020302300	0	57	-1.0	-41.80	443.12	9.21	-32.59
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCCC2CC(C)C)=NO1	REAL300020302300	1	57	-1.0	-41.80	443.17	9.23	-32.57
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCC2CC(C)C)=NO1	REAL300020302301	0	54	-1.0	-55.01	402.07	8.22	-46.79
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCC2CC(C)C)=NO1	REAL300020302301	1	54	-1.0	-55.01	402.11	8.23	-46.78
CCCC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302302	0	57	-1.0	-46.89	434.63	8.45	-38.44
CCCC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302302	1	57	-1.0	-46.85	434.69	8.47	-38.38
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302303	0	54	-1.0	-46.74	415.51	9.86	-36.88
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302303	1	54	-1.0	-46.82	415.56	9.88	-36.94
COC1=CC=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=C1	REAL300020302304	0	46	-1.0	-47.60	391.08	8.79	-38.81
COC1=CC=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=C1	REAL300020302304	1	46	-1.0	-47.60	391.03	8.78	-38.82
COC1=CC=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=C1	REAL300020302305	0	43	-1.0	-61.50	362.61	8.82	-52.68
COC1=CC=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=C1	REAL300020302305	1	43	-1.0	-61.46	362.56	8.81	-52.65
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2NC2=NN(C)C=C2)=NO1	REAL300020302306	0	42	-1.0	-45.66	364.35	8.35	-37.31
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2NC2=NN(C)C=C2)=NO1	REAL300020302306	1	42	-1.0	-45.63	364.30	8.34	-37.29
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2NC2=NN(C)C=C2)=NO1	REAL300020302307	0	39	-1.0	-49.45	340.08	7.71	-41.74
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2NC2=NN(C)C=C2)=NO1	REAL300020302307	1	39	-1.0	-49.43	340.03	7.70	-41.73
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2NC2=CN(C)N=C2)=NO1	REAL300020302308	0	42	-1.0	-57.53	359.24	7.61	-49.92
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2NC2=CN(C)N=C2)=NO1	REAL300020302308	1	42	-1.0	-57.52	359.18	7.59	-49.93
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2NC2=CN(C)N=C2)=NO1	REAL300020302309	0	39	-1.0	-51.22	340.22	6.74	-44.48
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2NC2=CN(C)N=C2)=NO1	REAL300020302309	1	39	-1.0	-51.19	340.17	6.71	-44.48
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC2C(C)C)=NO1	REAL300020302310	0	51	-1.0	-49.64	399.97	7.66	-41.98
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC2C(C)C)=NO1	REAL300020302310	1	51	-1.0	-49.66	400.03	7.68	-41.98
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C(C)C)=NO1	REAL300020302311	0	48	-1.0	-45.82	381.69	7.19	-38.63
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C(C)C)=NO1	REAL300020302311	1	48	-1.0	-45.78	381.63	7.16	-38.62
CON1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302312	0	51	-1.0	-48.81	393.40	4.61	-44.20
CON1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302312	1	51	-1.0	-48.82	393.46	4.64	-44.18
CCC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=C1	REAL300020302313	0	51	-1.0	-49.41	422.91	10.97	-38.44
CCC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=C1	REAL300020302313	1	51	-1.0	-49.40	422.96	10.98	-38.42
CCC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=C1	REAL300020302314	0	48	-1.0	-47.01	405.63	10.19	-36.82
CCC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=C1	REAL300020302314	1	48	-1.0	-46.99	405.58	10.17	-36.82
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CCCC[C@@H]3C2)=NO1	REAL300020302315	0	52	-1.0	-40.03	398.85	9.20	-30.83
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CCCC[C@@H]3C2)=NO1	REAL300020302315	1	52	-1.0	-40.00	398.91	9.22	-30.78
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CCCC[C@@H]3C2)=NO1	REAL300020302316	0	49	-1.0	-43.60	374.68	8.58	-35.02
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CCCC[C@@H]3C2)=NO1	REAL300020302316	1	49	-1.0	-43.61	374.64	8.57	-35.04
COC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302317	0	49	-1.0	-51.40	390.02	5.74	-45.66
COC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302317	1	49	-1.0	-51.40	390.08	5.75	-45.65
COC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302318	0	46	-1.0	-50.81	369.12	4.83	-45.98
COC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302318	1	46	-1.0	-50.79	369.06	4.80	-45.99
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC(F)=C3C2)=NO1	REAL300020302319	0	46	-1.0	-43.93	392.64	8.62	-35.31
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC(F)=C3C2)=NO1	REAL300020302319	1	46	-1.0	-43.93	392.70	8.64	-35.29
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC(F)=C3C2)=NO1	REAL300020302320	0	43	-1.0	-46.24	366.43	7.92	-38.32
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC(F)=C3C2)=NO1	REAL300020302320	1	43	-1.0	-46.28	366.38	7.90	-38.38
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3C(C2)C3(F)F)=NO1	REAL300020302321	0	46	-1.0	-44.03	391.98	8.86	-35.17
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3C(C2)C3(F)F)=NO1	REAL300020302321	1	46	-1.0	-44.05	392.04	8.87	-35.18
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3C(C2)C3(F)F)=NO1	REAL300020302322	0	43	-1.0	-52.20	359.74	7.82	-44.38
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3C(C2)C3(F)F)=NO1	REAL300020302322	1	43	-1.0	-52.19	359.80	7.85	-44.34
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CC(C)(C)C2)=NO1	REAL300020302323	0	51	-1.0	-49.29	409.91	8.55	-40.74
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CC(C)(C)C2)=NO1	REAL300020302323	1	51	-1.0	-49.35	409.97	8.56	-40.79
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CC(C)(C)C2)=NO1	REAL300020302324	0	48	-1.0	-48.00	394.67	7.70	-40.30
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CC(C)(C)C2)=NO1	REAL300020302324	1	48	-1.0	-48.04	394.61	7.67	-40.37
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]3COC[C@@H]32)=NO1	REAL300020302325	0	50	-1.0	-42.02	400.44	6.03	-35.99
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]3COC[C@@H]32)=NO1	REAL300020302325	1	50	-1.0	-42.03	400.49	6.04	-35.99
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]3COC[C@@H]32)=NO1	REAL300020302326	0	47	-1.0	-44.95	376.03	5.49	-39.46
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]3COC[C@@H]32)=NO1	REAL300020302326	1	47	-1.0	-44.99	375.99	5.47	-39.52
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(CO)C2C)=NO1	REAL300020302327	0	52	-1.0	-48.20	404.23	5.08	-43.12
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(CO)C2C)=NO1	REAL300020302327	1	52	-1.0	-48.22	404.29	5.10	-43.12
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(CO)C2C)=NO1	REAL300020302328	0	49	-1.0	-47.08	388.32	4.19	-42.89
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(CO)C2C)=NO1	REAL300020302328	1	49	-1.0	-47.12	388.26	4.16	-42.96
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CC(C)(C)C1	REAL300020302329	0	54	-1.0	-49.91	413.44	9.19	-40.72
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CC(C)(C)C1	REAL300020302329	1	54	-1.0	-49.88	413.50	9.21	-40.67
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CC(C)(C)C1	REAL300020302330	0	51	-1.0	-45.00	411.22	8.48	-36.52
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CC(C)(C)C1	REAL300020302330	1	51	-1.0	-44.96	411.16	8.45	-36.51
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C(C)C2CC2)=NO1	REAL300020302331	0	48	-1.0	-47.52	398.60	7.39	-40.13
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C(C)C2CC2)=NO1	REAL300020302331	1	48	-1.0	-47.50	398.66	7.40	-40.10
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C(C)C2CC2)=NO1	REAL300020302332	0	45	-1.0	-43.87	363.71	7.36	-36.51
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C(C)C2CC2)=NO1	REAL300020302332	1	45	-1.0	-43.87	363.66	7.34	-36.53
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC(CF)C2)=NO1	REAL300020302333	0	46	-1.0	-42.25	389.51	5.96	-36.29
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC(CF)C2)=NO1	REAL300020302333	1	46	-1.0	-42.28	389.57	5.97	-36.31
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(CF)C2)=NO1	REAL300020302334	0	43	-1.0	-43.31	366.24	5.36	-37.95
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(CF)C2)=NO1	REAL300020302334	1	43	-1.0	-43.27	366.19	5.33	-37.94
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C3CCC3)C2)=NO1	REAL300020302335	0	52	-1.0	-48.43	419.06	9.25	-39.18
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C3CCC3)C2)=NO1	REAL300020302335	1	52	-1.0	-48.42	419.12	9.27	-39.15
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3CCC3)C2)=NO1	REAL300020302336	0	49	-1.0	-44.27	383.23	8.70	-35.57
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3CCC3)C2)=NO1	REAL300020302336	1	49	-1.0	-44.30	383.27	8.72	-35.58
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=C(C)C(C)=C2)=NO1	REAL300020302337	0	51	-1.0	-44.02	420.68	9.43	-34.59
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=C(C)C(C)=C2)=NO1	REAL300020302337	1	51	-1.0	-44.02	420.64	9.42	-34.60
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=NC(C)=CC=C2)=NO1	REAL300020302338	0	50	-1.0	-43.73	425.78	8.05	-35.68
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=NC(C)=CC=C2)=NO1	REAL300020302338	1	50	-1.0	-43.71	425.84	8.06	-35.65
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=NC(C)=CC=C2)=NO1	REAL300020302339	0	47	-1.0	-53.46	391.81	6.94	-46.52
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=NC(C)=CC=C2)=NO1	REAL300020302339	1	47	-1.0	-53.39	391.75	6.91	-46.48
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(CC(C)(C)C)C2)=NO1	REAL300020302340	0	57	-1.0	-48.98	434.92	9.19	-39.79
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(CC(C)(C)C)C2)=NO1	REAL300020302340	1	57	-1.0	-48.98	434.97	9.20	-39.78
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CC(C)(C)C)C2)=NO1	REAL300020302341	0	54	-1.0	-49.66	413.42	8.41	-41.25
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CC(C)(C)C)C2)=NO1	REAL300020302341	1	54	-1.0	-49.64	413.48	8.43	-41.21
COCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302342	0	51	-1.0	-50.09	420.10	6.73	-43.36
COCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302342	1	51	-1.0	-50.13	420.15	6.75	-43.38
COCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302343	0	48	-1.0	-48.41	404.00	5.85	-42.56
COCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302343	1	48	-1.0	-48.36	404.06	5.87	-42.49
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(OC3CCC3)CC2)=NO1	REAL300020302344	0	53	-1.0	-45.57	432.32	8.09	-37.48
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(OC3CCC3)CC2)=NO1	REAL300020302344	1	53	-1.0	-45.59	432.37	8.12	-37.47
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCCC2C(C)(C)C)=NO1	REAL300020302345	0	57	-1.0	-49.42	400.43	9.67	-39.75
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCCC2C(C)(C)C)=NO1	REAL300020302345	1	57	-1.0	-49.40	400.48	9.70	-39.70
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)C(C)C2C)=NO1	REAL300020302346	0	51	-1.0	-48.97	402.99	8.22	-40.75
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)C(C)C2C)=NO1	REAL300020302346	1	51	-1.0	-49.02	403.04	8.24	-40.78
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)C(C)C2C)=NO1	REAL300020302347	0	48	-1.0	-44.29	392.55	7.59	-36.70
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)C(C)C2C)=NO1	REAL300020302347	1	48	-1.0	-44.25	392.50	7.57	-36.68
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC(CC)O1	REAL300020302348	0	52	-1.0	-48.77	414.08	7.19	-41.58
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC(CC)O1	REAL300020302348	1	52	-1.0	-48.76	414.14	7.21	-41.55
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC(C)=CC=C3C2)=NO1	REAL300020302349	0	49	-1.0	-49.93	398.87	8.18	-41.75
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC(C)=CC=C3C2)=NO1	REAL300020302349	1	49	-1.0	-49.99	398.81	8.16	-41.83
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302350	0	49	-1.0	-47.18	397.73	5.30	-41.88
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302350	1	49	-1.0	-47.15	397.79	5.32	-41.83
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302351	0	46	-1.0	-49.31	381.67	4.30	-45.01
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302351	1	46	-1.0	-49.26	381.63	4.27	-44.99
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C3CCCC3)C2)=NO1	REAL300020302352	0	55	-1.0	-42.10	429.56	9.76	-32.34
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C3CCCC3)C2)=NO1	REAL300020302352	1	55	-1.0	-42.09	429.62	9.77	-32.32
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3CCCC3)C2)=NO1	REAL300020302353	0	52	-1.0	-54.56	400.88	9.79	-44.77
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3CCCC3)C2)=NO1	REAL300020302353	1	52	-1.0	-54.54	400.92	9.79	-44.75
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)C3=CC=CC=C32)=NO1	REAL300020302354	0	49	-1.0	-45.18	398.54	11.82	-33.36
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)C3=CC=CC=C32)=NO1	REAL300020302354	1	49	-1.0	-45.22	398.60	11.83	-33.39
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)C3=CC=CC=C32)=NO1	REAL300020302355	0	46	-1.0	-49.33	379.21	11.10	-38.23
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)C3=CC=CC=C32)=NO1	REAL300020302355	1	46	-1.0	-49.32	379.14	11.07	-38.25
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(N3C=CN=N3)C2)=NO1	REAL300020302356	0	48	-1.0	-49.29	405.16	6.02	-43.27
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(N3C=CN=N3)C2)=NO1	REAL300020302356	1	48	-1.0	-49.25	405.10	5.99	-43.26
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[C@@H](C)C[C@H]2C)=NO1	REAL300020302357	0	51	-1.0	-40.90	410.96	7.65	-33.25
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[C@@H](C)C[C@H]2C)=NO1	REAL300020302357	1	51	-1.0	-40.88	411.01	7.67	-33.21
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@@H](C)C[C@H]2C)=NO1	REAL300020302358	0	48	-1.0	-44.61	387.60	6.97	-37.64
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@@H](C)C[C@H]2C)=NO1	REAL300020302358	1	48	-1.0	-44.64	387.56	6.95	-37.69
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[C@@H]3OCC[C@@H]3C2)=NO1	REAL300020302359	0	50	-1.0	-42.36	403.95	6.52	-35.84
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[C@@H]3OCC[C@@H]3C2)=NO1	REAL300020302359	1	50	-1.0	-42.40	404.01	6.53	-35.87
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@@H]3OCC[C@@H]3C2)=NO1	REAL300020302360	0	47	-1.0	-45.73	385.60	5.85	-39.88
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@@H]3OCC[C@@H]3C2)=NO1	REAL300020302360	1	47	-1.0	-45.68	385.54	5.83	-39.85
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3(CC2C)CCOCC3)=NO1	REAL300020302361	0	53	-1.0	-46.74	409.40	6.91	-39.83
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3(CC2C)CCOCC3)=NO1	REAL300020302361	1	53	-1.0	-46.77	409.45	6.92	-39.85
C#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302362	0	47	-1.0	-46.67	399.23	8.40	-38.27
C#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302362	1	47	-1.0	-46.67	399.29	8.42	-38.25
C#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302363	0	44	-1.0	-44.19	374.61	7.67	-36.52
C#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302363	1	44	-1.0	-44.21	374.56	7.65	-36.56
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302364	0	50	-1.0	-41.03	417.95	9.09	-31.94
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302364	1	50	-1.0	-40.98	418.01	9.11	-31.87
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302365	0	47	-1.0	-49.48	386.47	8.32	-41.16
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302365	1	47	-1.0	-49.48	386.41	8.29	-41.19
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[C@@H](OC(C)C)C2)=NO1	REAL300020302366	0	52	-1.0	-51.07	416.78	6.92	-44.15
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[C@@H](OC(C)C)C2)=NO1	REAL300020302366	1	52	-1.0	-51.08	416.84	6.94	-44.14
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@@H](OC(C)C)C2)=NO1	REAL300020302367	0	49	-1.0	-45.50	395.61	6.92	-38.58
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@@H](OC(C)C)C2)=NO1	REAL300020302367	1	49	-1.0	-45.49	395.67	6.94	-38.55
CC(=O)NCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302368	0	48	-1.0	-50.30	403.93	4.46	-45.84
CC(=O)NCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302368	1	48	-1.0	-50.28	403.99	4.47	-45.81
CC(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302369	0	45	-1.0	-49.34	388.18	3.59	-45.75
CC(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302369	1	45	-1.0	-49.31	388.12	3.57	-45.74
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C[C@H]1C	REAL300020302370	0	48	-1.0	-51.01	396.96	6.81	-44.20
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C[C@H]1C	REAL300020302370	1	48	-1.0	-50.95	397.02	6.84	-44.11
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC(F)=C(F)C=C3C2)=NO1	REAL300020302371	0	43	-1.0	-52.54	369.67	8.68	-43.86
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC(F)=C(F)C=C3C2)=NO1	REAL300020302371	1	43	-1.0	-52.55	369.63	8.67	-43.88
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=NOC(C)=C3)CC2=C1	REAL300020302372	0	47	-1.0	-55.33	385.87	7.88	-47.45
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=NOC(C)=C3)CC2=C1	REAL300020302372	1	47	-1.0	-55.34	385.82	7.87	-47.47
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=C(C#N)C=C3C2)=NO1	REAL300020302373	0	44	-1.0	-56.31	377.23	8.97	-47.34
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=C(C#N)C=C3C2)=NO1	REAL300020302373	1	44	-1.0	-56.24	377.18	8.97	-47.27
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302374	0	47	-1.0	-42.34	397.89	8.38	-33.96
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302374	1	47	-1.0	-42.29	397.95	8.39	-33.90
C#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302375	0	44	-1.0	-47.86	377.77	7.63	-40.23
C#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302375	1	44	-1.0	-47.82	377.71	7.60	-40.22
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=NC(C)=NO2)=NO1	REAL300020302376	0	46	-1.0	-40.22	399.46	4.77	-35.45
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=NC(C)=NO2)=NO1	REAL300020302376	1	46	-1.0	-40.17	399.51	4.78	-35.39
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=NC(C)=NO2)=NO1	REAL300020302377	0	43	-1.0	-46.81	367.72	4.10	-42.71
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=NC(C)=NO2)=NO1	REAL300020302377	1	43	-1.0	-46.82	367.67	4.08	-42.74
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(OC3CCC3)C2)=NO1	REAL300020302378	0	53	-1.0	-50.26	417.29	7.28	-42.98
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(OC3CCC3)C2)=NO1	REAL300020302378	1	53	-1.0	-50.28	417.35	7.30	-42.98
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2CC2CCCC2)=NO1	REAL300020302379	0	55	-1.0	-44.33	427.67	8.81	-35.52
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2CC2CCCC2)=NO1	REAL300020302379	1	55	-1.0	-44.34	427.72	8.83	-35.51
COC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302380	0	50	-1.0	-52.43	406.28	3.22	-49.21
COC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302380	1	50	-1.0	-52.43	406.33	3.25	-49.18
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC[NH+]2CCCCC2)=NO1	REAL300020302381	0	54	0.0	-62.70	422.57	8.45	-54.25
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC[NH+]2CCCCC2)=NO1	REAL300020302381	1	54	0.0	-62.70	422.61	8.47	-54.23
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(CC3(F)F)C2)=NO1	REAL300020302382	0	46	-1.0	-42.48	383.64	8.23	-34.25
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(CC3(F)F)C2)=NO1	REAL300020302382	1	46	-1.0	-42.50	383.70	8.25	-34.25
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CC3(F)F)C2)=NO1	REAL300020302383	0	43	-1.0	-45.64	364.35	7.51	-38.13
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CC3(F)F)C2)=NO1	REAL300020302383	1	43	-1.0	-45.65	364.40	7.54	-38.11
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC(C#N)=C3C2)=NO1	REAL300020302384	0	44	-1.0	-50.46	384.19	8.07	-42.39
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC(C#N)=C3C2)=NO1	REAL300020302384	1	44	-1.0	-50.47	384.16	8.06	-42.41
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3C(C2)C3(F)F)=NO1	REAL300020302385	0	43	-1.0	-50.80	369.74	7.42	-43.38
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3C(C2)C3(F)F)=NO1	REAL300020302385	1	43	-1.0	-50.82	369.80	7.43	-43.39
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3C(C2)C3(F)F)=NO1	REAL300020302386	0	40	-1.0	-46.58	343.48	6.70	-39.88
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3C(C2)C3(F)F)=NO1	REAL300020302386	1	40	-1.0	-46.56	343.53	6.72	-39.84
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(F)(F)C2)=NO1	REAL300020302387	0	45	-1.0	-46.53	365.86	7.63	-38.90
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(F)(F)C2)=NO1	REAL300020302387	1	45	-1.0	-46.52	365.91	7.64	-38.88
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(F)(F)C2)=NO1	REAL300020302388	0	42	-1.0	-46.42	351.70	6.68	-39.74
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(F)(F)C2)=NO1	REAL300020302388	1	42	-1.0	-46.45	351.76	6.71	-39.74
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CC3(F)F)C2)=NO1	REAL300020302389	0	46	-1.0	-51.46	383.58	7.93	-43.53
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CC3(F)F)C2)=NO1	REAL300020302389	1	46	-1.0	-51.44	383.64	7.96	-43.48
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)OC3(CCC3)C2)=NO1	REAL300020302390	0	53	-1.0	-48.77	418.58	7.46	-41.31
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)OC3(CCC3)C2)=NO1	REAL300020302390	1	53	-1.0	-48.75	418.64	7.47	-41.28
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)OC3(CCC3)C2)=NO1	REAL300020302391	0	50	-1.0	-49.09	397.19	6.68	-42.41
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)OC3(CCC3)C2)=NO1	REAL300020302391	1	50	-1.0	-49.07	397.25	6.70	-42.37
CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302392	0	52	-1.0	-45.98	427.14	7.29	-38.69
CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302392	1	52	-1.0	-45.99	427.20	7.31	-38.68
CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302393	0	49	-1.0	-45.75	405.64	6.50	-39.25
CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302393	1	49	-1.0	-45.73	405.70	6.52	-39.21
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CCCOC1	REAL300020302394	0	52	-1.0	-50.91	408.14	6.91	-44.00
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CCCOC1	REAL300020302394	1	52	-1.0	-50.91	408.20	6.93	-43.98
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CCCOC1	REAL300020302395	0	49	-1.0	-50.13	392.03	5.31	-44.82
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CCCOC1	REAL300020302395	1	49	-1.0	-50.12	391.97	5.29	-44.83
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)OC3(CCCC3)C2)=NO1	REAL300020302396	0	53	-1.0	-52.77	417.83	8.04	-44.73
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)OC3(CCCC3)C2)=NO1	REAL300020302396	1	53	-1.0	-52.77	417.89	8.07	-44.70
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(OC(C)C)C2)=NO1	REAL300020302397	0	52	-1.0	-48.42	426.29	7.24	-41.18
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(OC(C)C)C2)=NO1	REAL300020302397	1	52	-1.0	-48.40	426.35	7.27	-41.13
CCN(CCSC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302398	0	48	-1.0	-44.35	405.71	7.34	-37.01
CCN(CCSC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302398	1	48	-1.0	-44.35	405.77	7.35	-37.00
CCN(CCSC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302399	0	45	-1.0	-47.64	380.31	6.63	-41.01
CCN(CCSC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302399	1	45	-1.0	-47.61	380.28	6.60	-41.01
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CC3(F)F)CC2)=NO1	REAL300020302400	0	46	-1.0	-51.47	374.26	8.75	-42.72
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CC3(F)F)CC2)=NO1	REAL300020302400	1	46	-1.0	-51.49	374.31	8.75	-42.74
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN(C)C(=O)C2)=NO1	REAL300020302401	0	46	-1.0	-52.44	370.90	5.22	-47.22
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN(C)C(=O)C2)=NO1	REAL300020302401	1	46	-1.0	-52.43	370.96	5.24	-47.19
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(C)C(=O)C2)=NO1	REAL300020302402	0	43	-1.0	-46.64	355.91	4.48	-42.16
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(C)C(=O)C2)=NO1	REAL300020302402	1	43	-1.0	-46.70	355.86	4.45	-42.25
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCC3C2)=NO1	REAL300020302403	0	46	-1.0	-50.90	364.64	7.90	-43.00
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCC3C2)=NO1	REAL300020302403	1	46	-1.0	-50.87	364.70	7.92	-42.95
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCC3C2)=NO1	REAL300020302404	0	43	-1.0	-49.16	353.04	6.96	-42.20
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCC3C2)=NO1	REAL300020302404	1	43	-1.0	-49.13	352.98	6.94	-42.19
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3(CCC3)OCC2C)=NO1	REAL300020302405	0	53	-1.0	-42.15	427.97	7.04	-35.11
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3(CCC3)OCC2C)=NO1	REAL300020302405	1	53	-1.0	-42.12	428.03	7.05	-35.07
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3(CCC3)OCC2C)=NO1	REAL300020302406	0	50	-1.0	-44.67	401.29	6.44	-38.23
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3(CCC3)OCC2C)=NO1	REAL300020302406	1	50	-1.0	-44.65	401.33	6.45	-38.20
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3CCCCC3)C2)=NO1	REAL300020302407	0	55	-1.0	-54.45	417.52	10.34	-44.11
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3CCCCC3)C2)=NO1	REAL300020302407	1	55	-1.0	-54.45	417.56	10.35	-44.10
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC=C(C)C=C3C2)=NO1	REAL300020302408	0	49	-1.0	-47.47	397.93	8.37	-39.10
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC=C(C)C=C3C2)=NO1	REAL300020302408	1	49	-1.0	-47.44	397.89	8.35	-39.09
COCCN(CCF)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302409	0	48	-1.0	-41.46	407.06	5.75	-35.71
COCCN(CCF)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302409	1	48	-1.0	-41.43	407.12	5.76	-35.67
COCCN(CCF)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302410	0	45	-1.0	-43.28	372.43	5.01	-38.27
COCCN(CCF)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302410	1	45	-1.0	-43.27	372.38	5.00	-38.27
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3NC(=O)CCC3C2)=NO1	REAL300020302411	0	50	-1.0	-46.95	406.94	4.98	-41.97
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3NC(=O)CCC3C2)=NO1	REAL300020302411	1	50	-1.0	-46.94	406.99	5.01	-41.93
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2COCCO2)=NO1	REAL300020302412	0	50	-1.0	-51.31	411.93	5.25	-46.06
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2COCCO2)=NO1	REAL300020302412	1	50	-1.0	-51.28	411.99	5.27	-46.01
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2COCCO2)=NO1	REAL300020302413	0	47	-1.0	-49.93	389.64	4.47	-45.46
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2COCCO2)=NO1	REAL300020302413	1	47	-1.0	-49.93	389.70	4.50	-45.43
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CCCOC2)=NO1	REAL300020302414	0	50	-1.0	-41.88	407.36	7.31	-34.57
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CCCOC2)=NO1	REAL300020302414	1	50	-1.0	-41.97	407.42	7.32	-34.65
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CCCOC2)=NO1	REAL300020302415	0	47	-1.0	-52.84	388.24	6.59	-46.25
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CCCOC2)=NO1	REAL300020302415	1	47	-1.0	-52.88	388.19	6.58	-46.30
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCCCC3)CC2)=NO1	REAL300020302416	0	55	-1.0	-44.53	416.93	9.05	-35.48
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCCCC3)CC2)=NO1	REAL300020302416	1	55	-1.0	-44.53	416.97	9.07	-35.46
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@]3(C)COC[C@]3(C)C2)=NO1	REAL300020302417	0	53	-1.0	-50.75	409.67	6.79	-43.96
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@]3(C)COC[C@]3(C)C2)=NO1	REAL300020302417	1	53	-1.0	-50.72	409.73	6.80	-43.92
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@]3(C)COC[C@]3(C)C2)=NO1	REAL300020302418	0	50	-1.0	-48.44	394.56	5.69	-42.75
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@]3(C)COC[C@]3(C)C2)=NO1	REAL300020302418	1	50	-1.0	-48.42	394.62	5.72	-42.70
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(O)(CO)CC2)=NO1	REAL300020302419	0	50	-1.0	-44.09	410.37	2.18	-41.91
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(O)(CO)CC2)=NO1	REAL300020302419	1	50	-1.0	-44.07	410.43	2.20	-41.87
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(O)(CO)CC2)=NO1	REAL300020302420	0	47	-1.0	-47.52	390.59	1.45	-46.07
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(O)(CO)CC2)=NO1	REAL300020302420	1	47	-1.0	-47.56	390.64	1.47	-46.09
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C3CCC3)CC2)=NO1	REAL300020302421	0	55	-1.0	-47.85	435.01	10.15	-37.70
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C3CCC3)CC2)=NO1	REAL300020302421	1	55	-1.0	-47.90	435.07	10.17	-37.73
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3CCC3)CC2)=NO1	REAL300020302422	0	52	-1.0	-44.11	415.76	9.20	-34.91
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3CCC3)CC2)=NO1	REAL300020302422	1	52	-1.0	-44.08	415.81	9.22	-34.86
C=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302423	0	52	-1.0	-47.51	424.71	9.30	-38.21
C=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302423	1	52	-1.0	-47.51	424.76	9.32	-38.19
C=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302424	0	49	-1.0	-49.83	388.26	7.75	-42.08
C=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302424	1	49	-1.0	-49.83	388.20	7.72	-42.11
CCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=N1	REAL300020302425	0	45	-1.0	-45.61	385.87	9.21	-36.40
CCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=N1	REAL300020302425	1	45	-1.0	-45.58	385.81	9.20	-36.38
CCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=N1	REAL300020302426	0	42	-1.0	-51.14	366.39	8.50	-42.64
CCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=N1	REAL300020302426	1	42	-1.0	-51.10	366.33	8.47	-42.63
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302427	0	50	-1.0	-41.03	417.95	9.09	-31.94
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302427	1	50	-1.0	-40.98	418.01	9.11	-31.87
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302428	0	47	-1.0	-49.48	386.47	8.32	-41.16
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302428	1	47	-1.0	-49.48	386.41	8.29	-41.19
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)(C)CC(C)(C)C2)=NO1	REAL300020302429	0	57	-1.0	-52.53	403.90	10.76	-41.77
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)(C)CC(C)(C)C2)=NO1	REAL300020302429	1	57	-1.0	-52.53	403.94	10.77	-41.76
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CN3C=CN=N3)C2)=NO1	REAL300020302430	0	48	-1.0	-62.43	392.96	7.01	-55.42
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CN3C=CN=N3)C2)=NO1	REAL300020302430	1	48	-1.0	-62.48	392.91	7.01	-55.47
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(CC#N)C2)=NO1	REAL300020302431	0	49	-1.0	-42.77	411.53	8.28	-34.49
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(CC#N)C2)=NO1	REAL300020302431	1	49	-1.0	-42.77	411.59	8.29	-34.48
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(CC#N)C2)=NO1	REAL300020302432	0	46	-1.0	-51.16	380.05	7.50	-43.66
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(CC#N)C2)=NO1	REAL300020302432	1	46	-1.0	-51.13	379.99	7.48	-43.65
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCCC3)CC2)=NO1	REAL300020302433	0	55	-1.0	-48.75	413.76	9.61	-39.14
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCCC3)CC2)=NO1	REAL300020302433	1	55	-1.0	-48.71	413.82	9.63	-39.08
CCC(C)N(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302434	0	50	-1.0	-42.28	389.34	8.38	-33.90
CCC(C)N(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302434	1	50	-1.0	-42.29	389.40	8.39	-33.90
CCC(C)N(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302435	0	47	-1.0	-53.83	376.30	6.28	-47.55
CCC(C)N(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302435	1	47	-1.0	-53.85	376.25	6.26	-47.59
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3C(C2)C2CCC3CC2)=NO1	REAL300020302436	0	53	-1.0	-54.02	391.31	9.44	-44.58
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3C(C2)C2CCC3CC2)=NO1	REAL300020302436	1	53	-1.0	-54.11	391.36	9.44	-44.67
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=C(CCC(=O)N3)C2)=NO1	REAL300020302437	0	48	-1.0	-52.49	388.71	4.71	-47.78
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=C(CCC(=O)N3)C2)=NO1	REAL300020302437	1	48	-1.0	-52.52	388.65	4.68	-47.84
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=CC=CO3)CC2)=NO1	REAL300020302438	0	49	-1.0	-45.52	409.24	8.33	-37.19
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=CC=CO3)CC2)=NO1	REAL300020302438	1	49	-1.0	-45.50	409.29	8.34	-37.16
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC(C)(C3CC3)C2)=NO1	REAL300020302439	0	53	-1.0	-48.15	425.67	7.81	-40.34
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC(C)(C3CC3)C2)=NO1	REAL300020302439	1	53	-1.0	-48.11	425.73	7.82	-40.29
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C)(C3CC3)C2)=NO1	REAL300020302440	0	50	-1.0	-44.23	401.08	7.06	-37.17
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C)(C3CC3)C2)=NO1	REAL300020302440	1	50	-1.0	-44.29	401.12	7.08	-37.21
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CC(C(C)(C)C)C2)=NO1	REAL300020302441	0	57	-1.0	-40.59	440.58	9.30	-31.29
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CC(C(C)(C)C)C2)=NO1	REAL300020302441	1	57	-1.0	-40.64	440.63	9.31	-31.33
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CC(C(C)(C)C)C2)=NO1	REAL300020302442	0	54	-1.0	-50.26	418.13	8.72	-41.54
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CC(C(C)(C)C)C2)=NO1	REAL300020302442	1	54	-1.0	-50.27	418.19	8.74	-41.53
CCC1(CC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302443	0	57	-1.0	-42.37	437.81	9.82	-32.55
CCC1(CC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302443	1	57	-1.0	-42.42	437.87	9.84	-32.58
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302444	0	54	-1.0	-50.19	404.93	8.81	-41.38
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302444	1	54	-1.0	-50.19	404.99	8.83	-41.36
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(N3C=CC=N3)C2)=NO1	REAL300020302445	0	49	-1.0	-47.64	411.21	7.22	-40.42
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(N3C=CC=N3)C2)=NO1	REAL300020302445	1	49	-1.0	-47.67	411.15	7.19	-40.48
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(CCF)C2)=NO1	REAL300020302446	0	51	-1.0	-49.62	418.02	8.89	-40.73
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(CCF)C2)=NO1	REAL300020302446	1	51	-1.0	-49.63	418.07	8.90	-40.73
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(CCF)C2)=NO1	REAL300020302447	0	48	-1.0	-51.32	381.51	7.31	-44.01
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(CCF)C2)=NO1	REAL300020302447	1	48	-1.0	-51.34	381.57	7.34	-44.00
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3COCC3(C)C2)=NO1	REAL300020302448	0	50	-1.0	-43.17	392.45	6.38	-36.79
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3COCC3(C)C2)=NO1	REAL300020302448	1	50	-1.0	-43.16	392.50	6.40	-36.76
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3COCC3(C)C2)=NO1	REAL300020302449	0	47	-1.0	-47.61	368.33	5.75	-41.86
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3COCC3(C)C2)=NO1	REAL300020302449	1	47	-1.0	-47.58	368.29	5.74	-41.84
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[C@@H](C)O[C@@H](C)C2)=NO1	REAL300020302450	0	52	-1.0	-47.44	406.94	7.12	-40.32
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[C@@H](C)O[C@@H](C)C2)=NO1	REAL300020302450	1	52	-1.0	-47.42	407.00	7.13	-40.29
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@@H](C)O[C@@H](C)C2)=NO1	REAL300020302451	0	49	-1.0	-51.78	376.29	7.07	-44.71
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@@H](C)O[C@@H](C)C2)=NO1	REAL300020302451	1	49	-1.0	-51.77	376.24	7.06	-44.71
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(F)(F)CC2)=NO1	REAL300020302452	0	48	-1.0	-41.79	392.27	7.95	-33.84
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(F)(F)CC2)=NO1	REAL300020302452	1	48	-1.0	-41.80	392.33	7.98	-33.82
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(F)(F)CC2)=NO1	REAL300020302453	0	45	-1.0	-55.85	366.21	7.74	-48.11
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(F)(F)CC2)=NO1	REAL300020302453	1	45	-1.0	-55.84	366.26	7.77	-48.07
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CN(C)N=N2)=NO1	REAL300020302454	0	47	-1.0	-48.14	404.38	5.37	-42.77
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CN(C)N=N2)=NO1	REAL300020302454	1	47	-1.0	-48.11	404.44	5.38	-42.73
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CN(C)N=N2)=NO1	REAL300020302455	0	44	-1.0	-57.86	372.55	4.63	-53.23
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CN(C)N=N2)=NO1	REAL300020302455	1	44	-1.0	-57.83	372.49	4.60	-53.23
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302456	0	54	-1.0	-41.38	429.43	8.29	-33.09
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302456	1	54	-1.0	-41.35	429.48	8.31	-33.04
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302457	0	51	-1.0	-50.22	393.64	6.90	-43.32
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302457	1	51	-1.0	-50.20	393.58	6.87	-43.33
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3(C2)CCCO3)=NO1	REAL300020302458	0	47	-1.0	-50.15	390.92	5.43	-44.72
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3(C2)CCCO3)=NO1	REAL300020302458	1	47	-1.0	-50.16	390.98	5.45	-44.71
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3(C2)CCCO3)=NO1	REAL300020302459	0	44	-1.0	-50.18	369.48	4.67	-45.51
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3(C2)CCCO3)=NO1	REAL300020302459	1	44	-1.0	-50.21	369.42	4.65	-45.56
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@H]2C(=O)N(C)C)=NO1	REAL300020302460	0	49	-1.0	-51.64	389.72	6.13	-45.51
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@H]2C(=O)N(C)C)=NO1	REAL300020302460	1	49	-1.0	-51.64	389.68	6.11	-45.53
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCSC3CCC32)=NO1	REAL300020302461	0	47	-1.0	-39.98	392.23	8.42	-31.56
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCSC3CCC32)=NO1	REAL300020302461	1	47	-1.0	-39.99	392.29	8.43	-31.56
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCSC3CCC32)=NO1	REAL300020302462	0	44	-1.0	-43.49	368.04	7.84	-35.65
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCSC3CCC32)=NO1	REAL300020302462	1	44	-1.0	-43.50	367.99	7.81	-35.69
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)OC(C(N)=O)C2)=NO1	REAL300020302463	0	47	-1.0	-54.05	396.69	2.94	-51.11
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)OC(C(N)=O)C2)=NO1	REAL300020302463	1	47	-1.0	-54.09	396.63	2.92	-51.17
COC(=O)N(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302464	0	49	-1.0	-51.07	418.88	5.56	-45.51
COC(=O)N(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302464	1	49	-1.0	-51.04	418.94	5.59	-45.45
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2(C)COC2)=NO1	REAL300020302465	0	49	-1.0	-41.59	397.61	5.88	-35.71
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2(C)COC2)=NO1	REAL300020302465	1	49	-1.0	-41.63	397.67	5.90	-35.73
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2(C)COC2)=NO1	REAL300020302466	0	46	-1.0	-43.32	379.52	5.48	-37.84
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2(C)COC2)=NO1	REAL300020302466	1	46	-1.0	-43.31	379.48	5.46	-37.85
CCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302467	0	56	-1.0	-43.93	441.16	9.39	-34.54
CCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302467	1	56	-1.0	-43.97	441.22	9.40	-34.57
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(C3CCC3)C2)=NO1	REAL300020302468	0	55	-1.0	-47.77	439.99	10.10	-37.67
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(C3CCC3)C2)=NO1	REAL300020302468	1	55	-1.0	-47.80	440.05	10.12	-37.68
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C3CCC3)C2)=NO1	REAL300020302469	0	52	-1.0	-54.21	411.90	9.84	-44.37
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C3CCC3)C2)=NO1	REAL300020302469	1	52	-1.0	-54.21	411.95	9.86	-44.35
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=NOC=C3)CC2)=NO1	REAL300020302470	0	48	-1.0	-52.21	399.38	7.55	-44.66
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=NOC=C3)CC2)=NO1	REAL300020302470	1	48	-1.0	-52.22	399.44	7.57	-44.65
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3=CC=C(O)C=C3C2)=NO1	REAL300020302471	0	47	-1.0	-43.87	395.22	5.63	-38.24
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3=CC=C(O)C=C3C2)=NO1	REAL300020302471	1	47	-1.0	-43.88	395.28	5.64	-38.24
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=C(O)C=C3C2)=NO1	REAL300020302472	0	44	-1.0	-55.42	367.40	5.73	-49.69
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=C(O)C=C3C2)=NO1	REAL300020302472	1	44	-1.0	-55.37	367.34	5.72	-49.65
C=C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302473	0	45	-1.0	-47.66	375.02	7.26	-40.40
C=C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302473	1	45	-1.0	-47.70	375.07	7.28	-40.42
C=C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302474	0	42	-1.0	-46.42	359.68	6.40	-40.02
C=C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302474	1	42	-1.0	-46.42	359.62	6.38	-40.04
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1	REAL300020302475	0	49	-1.0	-46.79	408.62	9.26	-37.53
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1	REAL300020302475	1	49	-1.0	-46.79	408.66	9.25	-37.54
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C)(C(F)F)C2)=NO1	REAL300020302476	0	46	-1.0	-45.79	389.97	5.91	-39.88
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C)(C(F)F)C2)=NO1	REAL300020302476	1	46	-1.0	-45.79	390.03	5.93	-39.86
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(COC3)C2)=NO1	REAL300020302477	0	47	-1.0	-40.74	376.43	5.93	-34.81
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(COC3)C2)=NO1	REAL300020302477	1	47	-1.0	-40.75	376.49	5.94	-34.81
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(COC3)C2)=NO1	REAL300020302478	0	44	-1.0	-44.07	352.18	5.29	-38.78
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(COC3)C2)=NO1	REAL300020302478	1	44	-1.0	-44.03	352.14	5.27	-38.76
CCCCCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302479	0	57	-1.0	-53.35	443.93	9.91	-43.44
CCCCCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302479	1	57	-1.0	-53.42	443.97	9.92	-43.50
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCC2CC2CCC2)=NO1	REAL300020302480	0	55	-1.0	-56.72	429.22	9.41	-47.31
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCC2CC2CCC2)=NO1	REAL300020302480	1	55	-1.0	-56.73	429.28	9.43	-47.30
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3CC3C2)=NO1	REAL300020302481	0	46	-1.0	-48.74	369.10	7.90	-40.84
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3CC3C2)=NO1	REAL300020302481	1	46	-1.0	-48.80	369.16	7.91	-40.89
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CC3C2)=NO1	REAL300020302482	0	43	-1.0	-49.41	349.46	7.32	-42.09
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CC3C2)=NO1	REAL300020302482	1	43	-1.0	-49.36	349.40	7.29	-42.07
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302483	0	51	-1.0	-49.70	415.14	6.43	-43.27
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302483	1	51	-1.0	-49.71	415.08	6.40	-43.31
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=NN=C(C)S2)=NO1	REAL300020302484	0	43	-1.0	-46.71	387.89	5.01	-41.70
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=NN=C(C)S2)=NO1	REAL300020302484	1	43	-1.0	-46.69	387.84	4.99	-41.70
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CC2(C)C3)=NO1	REAL300020302485	0	46	-1.0	-49.70	374.40	7.33	-42.37
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CC2(C)C3)=NO1	REAL300020302485	1	46	-1.0	-49.73	374.45	7.35	-42.38
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CC2(C)C3)=NO1	REAL300020302486	0	43	-1.0	-49.85	352.95	6.56	-43.29
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CC2(C)C3)=NO1	REAL300020302486	1	43	-1.0	-49.85	352.89	6.54	-43.31
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CCSC2)=NO1	REAL300020302487	0	47	-1.0	-41.46	408.45	8.29	-33.17
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CCSC2)=NO1	REAL300020302487	1	47	-1.0	-41.45	408.51	8.31	-33.14
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CCSC2)=NO1	REAL300020302488	0	44	-1.0	-48.74	374.58	7.50	-41.24
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CCSC2)=NO1	REAL300020302488	1	44	-1.0	-48.75	374.52	7.47	-41.28
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3COCC3C2)=NO1	REAL300020302489	0	50	-1.0	-49.33	392.74	5.99	-43.34
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3COCC3C2)=NO1	REAL300020302489	1	50	-1.0	-49.32	392.80	6.00	-43.32
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3COCC3C2)=NO1	REAL300020302490	0	47	-1.0	-43.83	385.53	5.99	-37.84
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3COCC3C2)=NO1	REAL300020302490	1	47	-1.0	-43.79	385.51	5.97	-37.82
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CCC2CC2)CC2CC2)=NO1	REAL300020302491	0	55	-1.0	-50.56	424.44	9.52	-41.04
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CCC2CC2)CC2CC2)=NO1	REAL300020302491	1	55	-1.0	-50.54	424.50	9.54	-41.00
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CCC2CC2)CC2CC2)=NO1	REAL300020302492	0	52	-1.0	-43.35	431.19	9.85	-33.50
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CCC2CC2)CC2CC2)=NO1	REAL300020302492	1	52	-1.0	-43.34	431.25	9.88	-33.46
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302493	0	52	-1.0	-44.99	420.87	6.88	-38.11
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302493	1	52	-1.0	-44.98	420.92	6.90	-38.08
C#CCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302494	0	50	-1.0	-42.82	427.75	6.88	-35.94
C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302494	1	50	-1.0	-42.75	427.81	6.89	-35.86
C#CCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302495	0	47	-1.0	-45.09	393.11	6.13	-38.96
C#CCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302495	1	47	-1.0	-45.03	393.05	6.12	-38.91
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC=C3[C@H]2C)=NO1	REAL300020302496	0	49	-1.0	-42.59	396.06	8.61	-33.98
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC=C3[C@H]2C)=NO1	REAL300020302496	1	49	-1.0	-42.59	396.12	8.62	-33.97
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC=C3[C@H]2C)=NO1	REAL300020302497	0	46	-1.0	-47.73	384.99	7.50	-40.23
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC=C3[C@H]2C)=NO1	REAL300020302497	1	46	-1.0	-47.74	384.93	7.47	-40.27
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3(CCCC3)OCC2C)=NO1	REAL300020302498	0	53	-1.0	-47.88	420.67	6.55	-41.33
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3(CCCC3)OCC2C)=NO1	REAL300020302498	1	53	-1.0	-47.93	420.72	6.58	-41.35
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3C4COCC4C3C2)=NO1	REAL300020302499	0	51	-1.0	-43.23	406.57	7.01	-36.22
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3C4COCC4C3C2)=NO1	REAL300020302499	1	51	-1.0	-43.23	406.63	7.03	-36.20
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3C4COCC4C3C2)=NO1	REAL300020302500	0	48	-1.0	-46.65	380.25	6.29	-40.36
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3C4COCC4C3C2)=NO1	REAL300020302500	1	48	-1.0	-46.64	380.29	6.31	-40.33
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CC2(C)C)=NO1	REAL300020302501	0	51	-1.0	-40.72	422.76	8.74	-31.98
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CC2(C)C)=NO1	REAL300020302501	1	51	-1.0	-40.72	422.82	8.76	-31.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CC2(C)C)=NO1	REAL300020302502	0	48	-1.0	-43.07	394.87	8.06	-35.01
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CC2(C)C)=NO1	REAL300020302502	1	48	-1.0	-43.10	394.83	8.04	-35.06
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCC2C(CO)C3)=NO1	REAL300020302503	0	53	-1.0	-49.56	413.35	5.80	-43.76
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCC2C(CO)C3)=NO1	REAL300020302503	1	53	-1.0	-49.58	413.41	5.81	-43.77
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCC2C(CO)C3)=NO1	REAL300020302504	0	50	-1.0	-44.86	394.19	5.00	-39.86
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCC2C(CO)C3)=NO1	REAL300020302504	1	50	-1.0	-44.83	394.23	5.03	-39.80
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCC(C3)C2)=NO1	REAL300020302505	0	49	-1.0	-41.64	394.42	8.96	-32.68
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCC(C3)C2)=NO1	REAL300020302505	1	49	-1.0	-41.63	394.47	8.98	-32.65
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCC(C3)C2)=NO1	REAL300020302506	0	46	-1.0	-44.41	372.28	8.42	-35.99
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCC(C3)C2)=NO1	REAL300020302506	1	46	-1.0	-44.43	372.23	8.39	-36.04
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3=NC=CN=C3C2)=NO1	REAL300020302507	0	47	-1.0	-47.93	391.65	4.70	-43.23
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3=NC=CN=C3C2)=NO1	REAL300020302507	1	47	-1.0	-47.90	391.71	4.72	-43.18
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=NC=CN=C3C2)=NO1	REAL300020302508	0	44	-1.0	-48.69	367.46	4.93	-43.76
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=NC=CN=C3C2)=NO1	REAL300020302508	1	44	-1.0	-48.64	367.41	4.90	-43.74
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC=C3[C@@H]2C)=NO1	REAL300020302509	0	49	-1.0	-42.58	403.85	8.24	-34.34
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC=C3[C@@H]2C)=NO1	REAL300020302509	1	49	-1.0	-42.59	403.91	8.26	-34.33
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC=C3[C@@H]2C)=NO1	REAL300020302510	0	46	-1.0	-47.90	381.57	8.66	-39.24
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC=C3[C@@H]2C)=NO1	REAL300020302510	1	46	-1.0	-47.92	381.53	8.65	-39.27
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC(=O)N2CCCC2)=NO1	REAL300020302511	0	49	-1.0	-47.23	410.50	6.25	-40.98
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC(=O)N2CCCC2)=NO1	REAL300020302511	1	49	-1.0	-47.21	410.45	6.22	-40.99
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@@H](C(F)(F)F)C2)=NO1	REAL300020302512	0	45	-1.0	-45.53	385.28	7.45	-38.08
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@@H](C(F)(F)F)C2)=NO1	REAL300020302512	1	45	-1.0	-45.51	385.32	7.47	-38.04
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)(F)CC2)=NO1	REAL300020302513	0	48	-1.0	-50.06	398.31	7.93	-42.13
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)(F)CC2)=NO1	REAL300020302513	1	48	-1.0	-50.04	398.37	7.95	-42.09
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)(F)CC2)=NO1	REAL300020302514	0	45	-1.0	-46.32	373.73	7.20	-39.12
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)(F)CC2)=NO1	REAL300020302514	1	45	-1.0	-46.27	373.68	7.18	-39.09
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)[C@@H](C)C2=CC=CC=C2C)=NO1	REAL300020302515	0	51	-1.0	-44.43	405.36	9.97	-34.46
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)[C@@H](C)C2=CC=CC=C2C)=NO1	REAL300020302515	1	51	-1.0	-44.44	405.30	9.94	-34.50
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)[C@H](C)C2=CC=CC=C2C)=NO1	REAL300020302516	0	51	-1.0	-48.64	404.92	9.41	-39.23
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)[C@H](C)C2=CC=CC=C2C)=NO1	REAL300020302516	1	51	-1.0	-48.61	404.88	9.40	-39.21
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(CC3)CC2)=NO1	REAL300020302517	0	52	-1.0	-49.50	405.01	8.89	-40.61
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(CC3)CC2)=NO1	REAL300020302517	1	52	-1.0	-49.52	405.07	8.91	-40.61
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CC3)CC2)=NO1	REAL300020302518	0	49	-1.0	-49.95	380.86	7.64	-42.31
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CC3)CC2)=NO1	REAL300020302518	1	49	-1.0	-49.93	380.80	7.61	-42.32
CC=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302519	0	55	-1.0	-47.46	446.41	10.16	-37.30
CC=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302519	1	55	-1.0	-47.47	446.47	10.18	-37.29
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302520	0	52	-1.0	-49.92	409.96	8.61	-41.31
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302520	1	52	-1.0	-49.94	409.91	8.58	-41.36
COCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302521	0	50	-1.0	-47.01	411.44	5.03	-41.98
COCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302521	1	50	-1.0	-47.01	411.49	5.05	-41.96
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(CC(N)=O)C2)=NO1	REAL300020302522	0	47	-1.0	-48.32	400.35	2.56	-45.76
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(CC(N)=O)C2)=NO1	REAL300020302522	1	47	-1.0	-48.35	400.40	2.59	-45.76
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)(C)C3=CC=CC=C32)=NO1	REAL300020302523	0	49	-1.0	-49.82	394.45	11.62	-38.20
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)(C)C3=CC=CC=C32)=NO1	REAL300020302523	1	49	-1.0	-49.81	394.40	11.61	-38.20
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(F)(F)CC2C)=NO1	REAL300020302524	0	48	-1.0	-41.08	401.14	7.09	-33.99
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(F)(F)CC2C)=NO1	REAL300020302524	1	48	-1.0	-41.07	401.20	7.10	-33.97
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(F)(F)CC2C)=NO1	REAL300020302525	0	45	-1.0	-47.00	365.82	5.78	-41.22
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(F)(F)CC2C)=NO1	REAL300020302525	1	45	-1.0	-47.03	365.87	5.79	-41.24
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=C(O)C=CC=C3C2)=NO1	REAL300020302526	0	47	-1.0	-50.69	387.41	5.83	-44.86
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=C(O)C=CC=C3C2)=NO1	REAL300020302526	1	47	-1.0	-50.66	387.36	5.80	-44.86
CCON1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302527	0	51	-1.0	-41.75	418.48	5.40	-36.35
CCON1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302527	1	51	-1.0	-41.78	418.54	5.41	-36.37
CCON1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302528	0	48	-1.0	-45.36	403.22	5.26	-40.10
CCON1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302528	1	48	-1.0	-45.32	403.28	5.28	-40.04
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(CCF)CC2)=NO1	REAL300020302529	0	51	-1.0	-48.01	418.45	8.72	-39.29
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(CCF)CC2)=NO1	REAL300020302529	1	51	-1.0	-48.02	418.51	8.73	-39.29
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CCF)CC2)=NO1	REAL300020302530	0	48	-1.0	-44.83	393.79	7.97	-36.86
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CCF)CC2)=NO1	REAL300020302530	1	48	-1.0	-44.88	393.84	7.99	-36.89
CCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302531	0	50	-1.0	-44.25	418.62	5.30	-38.95
CCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302531	1	50	-1.0	-44.25	418.68	5.32	-38.93
CSC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302532	0	49	-1.0	-41.88	414.36	8.57	-33.31
CSC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302532	1	49	-1.0	-41.90	414.41	8.59	-33.31
CSC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302533	0	46	-1.0	-49.03	381.48	7.56	-41.47
CSC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302533	1	46	-1.0	-49.00	381.53	7.58	-41.42
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC(C)C2CCCCC2)=NO1	REAL300020302534	0	57	-1.0	-46.73	430.95	11.42	-35.31
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC(C)C2CCCCC2)=NO1	REAL300020302534	1	57	-1.0	-46.71	431.01	11.45	-35.26
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)[C@H]2C[C@@H](C(N)=O)C2)=NO1	REAL300020302535	0	49	-1.0	-51.13	408.50	4.30	-46.83
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)[C@H]2C[C@@H](C(N)=O)C2)=NO1	REAL300020302535	1	49	-1.0	-51.09	408.55	4.31	-46.78
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)[C@H]2C[C@@H](C(N)=O)C2)=NO1	REAL300020302536	0	46	-1.0	-52.10	381.26	3.22	-48.88
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)[C@H]2C[C@@H](C(N)=O)C2)=NO1	REAL300020302536	1	46	-1.0	-52.07	381.20	3.20	-48.87
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@H]2C(=O)N(C)C)=NO1	REAL300020302537	0	49	-1.0	-51.64	389.72	6.13	-45.51
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@H]2C(=O)N(C)C)=NO1	REAL300020302537	1	49	-1.0	-51.64	389.68	6.11	-45.53
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CCCC2C#N)=NO1	REAL300020302538	0	49	-1.0	-52.48	398.15	8.07	-44.41
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CCCC2C#N)=NO1	REAL300020302538	1	49	-1.0	-52.47	398.21	8.09	-44.38
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCCC2C#N)=NO1	REAL300020302539	0	46	-1.0	-51.54	376.78	7.30	-44.24
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCCC2C#N)=NO1	REAL300020302539	1	46	-1.0	-51.55	376.73	7.28	-44.27
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)=NO1	REAL300020302540	0	53	-1.0	-49.89	392.58	6.23	-43.66
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)=NO1	REAL300020302540	1	53	-1.0	-49.88	392.63	6.23	-43.65
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C=C1	REAL300020302541	0	49	-1.0	-44.69	412.78	7.51	-37.18
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C=C1	REAL300020302541	1	49	-1.0	-44.70	412.77	7.50	-37.20
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCC(C2)O3)=NO1	REAL300020302542	0	47	-1.0	-42.76	385.20	6.71	-36.05
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCC(C2)O3)=NO1	REAL300020302542	1	47	-1.0	-42.77	385.25	6.72	-36.05
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCC(C2)O3)=NO1	REAL300020302543	0	44	-1.0	-45.32	359.96	5.96	-39.36
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCC(C2)O3)=NO1	REAL300020302543	1	44	-1.0	-45.34	359.88	5.95	-39.39
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC(CCF)C2)=NO1	REAL300020302544	0	49	-1.0	-42.64	412.65	6.65	-35.99
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC(CCF)C2)=NO1	REAL300020302544	1	49	-1.0	-42.62	412.71	6.66	-35.96
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(CCF)C2)=NO1	REAL300020302545	0	46	-1.0	-44.43	391.15	5.86	-38.57
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(CCF)C2)=NO1	REAL300020302545	1	46	-1.0	-44.40	391.21	5.89	-38.51
COC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302546	0	52	-1.0	-42.18	418.11	6.69	-35.49
COC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302546	1	52	-1.0	-42.16	418.16	6.71	-35.45
COC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302547	0	49	-1.0	-52.50	392.84	6.21	-46.29
COC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302547	1	49	-1.0	-52.49	392.77	6.20	-46.29
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCS(=O)(=O)[C@H](C)C2)=NO1	REAL300020302548	0	45	-1.0	-58.76	383.02	3.98	-54.78
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCS(=O)(=O)[C@H](C)C2)=NO1	REAL300020302548	1	45	-1.0	-58.79	383.07	4.00	-54.79
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(C3CC3)C(C#N)C2)=NO1	REAL300020302549	0	49	-1.0	-44.72	411.39	5.54	-39.18
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(C3CC3)C(C#N)C2)=NO1	REAL300020302549	1	49	-1.0	-44.77	411.48	5.56	-39.21
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=NOC(C)=C1)C2	REAL300020302550	0	47	-1.0	-47.27	396.31	6.93	-40.34
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=NOC(C)=C1)C2	REAL300020302550	1	47	-1.0	-47.25	396.27	6.91	-40.34
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2NC2=CN(C)N=C2)=NO1	REAL300020302551	0	42	-1.0	-57.53	359.24	7.61	-49.92
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2NC2=CN(C)N=C2)=NO1	REAL300020302551	1	42	-1.0	-57.52	359.18	7.59	-49.93
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2NC2=CN(C)N=C2)=NO1	REAL300020302552	0	39	-1.0	-51.22	340.22	6.74	-44.48
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2NC2=CN(C)N=C2)=NO1	REAL300020302552	1	39	-1.0	-51.19	340.17	6.71	-44.48
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@H](C(F)(F)F)C2)=NO1	REAL300020302553	0	45	-1.0	-55.19	381.61	8.15	-47.04
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@H](C(F)(F)F)C2)=NO1	REAL300020302553	1	45	-1.0	-55.22	381.66	8.17	-47.05
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CC=CC[C@@H]3C2)=NO1	REAL300020302554	0	50	-1.0	-42.21	388.72	8.78	-33.43
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CC=CC[C@@H]3C2)=NO1	REAL300020302554	1	50	-1.0	-42.23	388.77	8.80	-33.43
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CC=CC[C@@H]3C2)=NO1	REAL300020302555	0	47	-1.0	-50.92	374.09	7.71	-43.21
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CC=CC[C@@H]3C2)=NO1	REAL300020302555	1	47	-1.0	-50.92	374.04	7.69	-43.23
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)=NO1	REAL300020302556	0	46	-1.0	-49.66	389.74	4.86	-44.80
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)=NO1	REAL300020302556	1	46	-1.0	-49.63	389.79	4.88	-44.75
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CSCC3C2)=NO1	REAL300020302557	0	47	-1.0	-43.48	395.65	8.20	-35.28
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CSCC3C2)=NO1	REAL300020302557	1	47	-1.0	-43.50	395.70	8.22	-35.28
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3C(CC[N@H+]3C)C2)=NO1	REAL300020302558	0	55	0.0	-65.05	429.10	8.45	-56.60
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3C(CC[N@@H+]3C)C2)=NO1	REAL300020302558	1	55	0.0	-83.48	415.59	7.90	-75.58
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3C(CC[N@H+]3C)C2)=NO1	REAL300020302558	1	55	0.0	-65.05	429.15	8.46	-56.59
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3C(CC[N@@H+]3C)C2)=NO1	REAL300020302558	1	55	0.0	-83.46	415.65	7.92	-75.54
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3C(CC[N@H+]3C)C2)=NO1	REAL300020302559	0	52	0.0	-79.75	407.14	8.40	-71.35
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3C(CC[N@@H+]3C)C2)=NO1	REAL300020302559	1	52	0.0	-86.62	385.13	7.85	-78.77
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3C(CC[N@H+]3C)C2)=NO1	REAL300020302559	1	52	0.0	-79.78	407.20	8.43	-71.35
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3C(CC[N@@H+]3C)C2)=NO1	REAL300020302559	1	52	0.0	-86.62	385.18	7.85	-78.77
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN(CCC#N)CC2)=NO1	REAL300020302560	0	51	-1.0	-46.22	427.20	5.90	-40.32
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN(CCC#N)CC2)=NO1	REAL300020302560	1	51	-1.0	-46.24	427.26	5.91	-40.33
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(CCC#N)CC2)=NO1	REAL300020302561	0	48	-1.0	-47.57	405.69	5.12	-42.45
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(CCC#N)CC2)=NO1	REAL300020302561	1	48	-1.0	-47.54	405.75	5.15	-42.39
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@H+](C)[C@@H](C(C)C)C2)=NO1	REAL300020302562	0	54	0.0	-65.39	413.84	8.23	-57.16
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@@H+](C)[C@@H](C(C)C)C2)=NO1	REAL300020302562	1	54	0.0	-75.52	403.80	7.69	-67.83
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@H+](C)[C@@H](C(C)C)C2)=NO1	REAL300020302562	1	54	0.0	-65.39	413.80	8.21	-57.18
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@@H+](C)[C@@H](C(C)C)C2)=NO1	REAL300020302562	1	54	0.0	-75.53	403.74	7.66	-67.87
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(OCC(F)F)C2)=NO1	REAL300020302563	0	46	-1.0	-52.22	403.03	5.64	-46.58
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(OCC(F)F)C2)=NO1	REAL300020302563	1	46	-1.0	-52.20	403.08	5.66	-46.54
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(OCC(F)F)C2)=NO1	REAL300020302564	0	43	-1.0	-51.77	372.08	5.03	-46.74
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(OCC(F)F)C2)=NO1	REAL300020302564	1	43	-1.0	-51.83	372.13	5.04	-46.79
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2NC2=NN(CCF)C=C2)=NO1	REAL300020302565	0	45	-1.0	-44.44	392.47	9.36	-35.08
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2NC2=NN(CCF)C=C2)=NO1	REAL300020302565	1	45	-1.0	-44.40	392.42	9.34	-35.06
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2NC2=NN(CCF)C=C2)=NO1	REAL300020302566	0	42	-1.0	-49.91	372.97	8.63	-41.28
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2NC2=NN(CCF)C=C2)=NO1	REAL300020302566	1	42	-1.0	-49.90	372.92	8.62	-41.28
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(CO)CC2C)=NO1	REAL300020302567	0	52	-1.0	-49.46	402.50	4.88	-44.58
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(CO)CC2C)=NO1	REAL300020302567	1	52	-1.0	-49.48	402.55	4.90	-44.58
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CO)CC2C)=NO1	REAL300020302568	0	49	-1.0	-54.68	372.09	4.85	-49.83
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CO)CC2C)=NO1	REAL300020302568	1	49	-1.0	-54.62	372.04	4.83	-49.79
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=NOC(C)=C1)C2	REAL300020302569	0	47	-1.0	-47.27	396.31	6.93	-40.34
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=NOC(C)=C1)C2	REAL300020302569	1	47	-1.0	-47.25	396.27	6.91	-40.34
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3=C(C)C=CC=C32)=NO1	REAL300020302570	0	49	-1.0	-53.96	399.25	11.63	-42.33
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3=C(C)C=CC=C32)=NO1	REAL300020302570	1	49	-1.0	-53.94	399.31	11.65	-42.29
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=C(C)C=CC=C32)=NO1	REAL300020302571	0	46	-1.0	-54.54	377.90	10.87	-43.67
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=C(C)C=CC=C32)=NO1	REAL300020302571	1	46	-1.0	-54.58	377.85	10.85	-43.73
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCS[C@H](C)C2)=NO1	REAL300020302572	0	46	-1.0	-40.25	394.03	7.73	-32.52
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCS[C@H](C)C2)=NO1	REAL300020302572	1	46	-1.0	-40.21	394.09	7.75	-32.46
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCS[C@H](C)C2)=NO1	REAL300020302573	0	43	-1.0	-45.19	372.01	6.93	-38.26
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCS[C@H](C)C2)=NO1	REAL300020302573	1	43	-1.0	-45.21	371.96	6.91	-38.30
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3(C2)OCC2CC23)=NO1	REAL300020302574	0	48	-1.0	-50.28	394.25	6.36	-43.92
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3(C2)OCC2CC23)=NO1	REAL300020302574	1	48	-1.0	-50.23	394.30	6.38	-43.85
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3(C2)OCC2CC23)=NO1	REAL300020302575	0	45	-1.0	-49.32	380.05	5.41	-43.91
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3(C2)OCC2CC23)=NO1	REAL300020302575	1	45	-1.0	-49.28	380.11	5.44	-43.84
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3C=CC2C3)=NO1	REAL300020302576	0	44	-1.0	-42.14	365.04	7.30	-34.84
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3C=CC2C3)=NO1	REAL300020302576	1	44	-1.0	-42.19	365.10	7.31	-34.88
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3C=CC2C3)=NO1	REAL300020302577	0	41	-1.0	-45.61	344.52	6.72	-38.89
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3C=CC2C3)=NO1	REAL300020302577	1	41	-1.0	-45.60	344.46	6.69	-38.91
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCCCO3)CC2)=NO1	REAL300020302578	0	53	-1.0	-46.41	413.44	7.34	-39.07
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCCCO3)CC2)=NO1	REAL300020302578	1	53	-1.0	-46.38	413.49	7.37	-39.01
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302579	0	50	-1.0	-48.31	394.20	9.70	-38.61
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302579	1	50	-1.0	-48.24	394.26	9.72	-38.52
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302580	0	47	-1.0	-45.10	382.74	8.47	-36.63
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302580	1	47	-1.0	-45.10	382.68	8.45	-36.65
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=NS2)=NO1	REAL300020302581	0	44	-1.0	-41.91	393.74	6.83	-35.08
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=NS2)=NO1	REAL300020302581	1	44	-1.0	-41.91	393.80	6.84	-35.07
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=NS2)=NO1	REAL300020302582	0	41	-1.0	-46.70	366.77	6.28	-40.42
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=NS2)=NO1	REAL300020302582	1	41	-1.0	-46.66	366.71	6.25	-40.41
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(CF)C2)=NO1	REAL300020302583	0	45	-1.0	-48.46	371.01	7.16	-41.30
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(CF)C2)=NO1	REAL300020302583	1	45	-1.0	-48.42	371.07	7.17	-41.25
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CF)C2)=NO1	REAL300020302584	0	42	-1.0	-48.47	349.57	6.40	-42.07
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CF)C2)=NO1	REAL300020302584	1	42	-1.0	-48.47	349.51	6.37	-42.10
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(CF)C2)=NO1	REAL300020302585	0	48	-1.0	-50.44	398.91	8.21	-42.23
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(CF)C2)=NO1	REAL300020302585	1	48	-1.0	-50.41	398.97	8.23	-42.18
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(CF)C2)=NO1	REAL300020302586	0	45	-1.0	-48.87	362.80	6.68	-42.19
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(CF)C2)=NO1	REAL300020302586	1	45	-1.0	-48.89	362.74	6.66	-42.23
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(F)CC2)=NO1	REAL300020302587	0	45	-1.0	-45.96	379.01	7.40	-38.56
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(F)CC2)=NO1	REAL300020302587	1	45	-1.0	-46.00	379.07	7.42	-38.58
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(F)CC2)=NO1	REAL300020302588	0	42	-1.0	-44.19	353.73	6.88	-37.31
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(F)CC2)=NO1	REAL300020302588	1	42	-1.0	-44.16	353.70	6.85	-37.31
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=NOC(C)=C3)C[C@H]2C1	REAL300020302589	0	50	-1.0	-48.74	395.03	6.39	-42.35
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=NOC(C)=C3)C[C@H]2C1	REAL300020302589	1	50	-1.0	-48.72	395.08	6.40	-42.32
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=NC=CS3)C2)=NO1	REAL300020302590	0	45	-1.0	-57.98	389.75	7.16	-50.82
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=NC=CS3)C2)=NO1	REAL300020302590	1	45	-1.0	-58.01	389.80	7.18	-50.83
COC1COCCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302591	0	50	-1.0	-55.32	388.91	4.48	-50.84
COC1COCCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302591	1	50	-1.0	-55.33	388.96	4.50	-50.83
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@@H+](C)C(C)(C)C2)=NO1	REAL300020302592	0	54	0.0	-59.67	418.62	8.22	-51.45
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@H+](C)C(C)(C)C2)=NO1	REAL300020302592	1	54	0.0	-61.99	420.35	8.27	-53.72
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN(C)C(C)(C)C2)=NO1	REAL300020302592	1	53	-1.0	-41.70	418.41	6.02	-35.68
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN(C)C(C)(C)C2)=NO1	REAL300020302592	1	53	-1.0	-41.73	418.46	6.03	-35.70
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@@H+](C)C(C)(C)C2)=NO1	REAL300020302593	0	51	0.0	-59.15	395.04	7.51	-51.64
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@H+](C)C(C)(C)C2)=NO1	REAL300020302593	1	51	0.0	-74.13	387.05	7.42	-66.71
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@@H+](C)C(C)(C)C2)=NO1	REAL300020302593	1	51	0.0	-59.13	395.00	7.49	-51.64
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[N@H+](C)C(C)(C)C2)=NO1	REAL300020302593	1	51	0.0	-74.13	387.00	7.39	-66.74
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(C)C(C)(C)C2)=NO1	REAL300020302593	1	50	-1.0	-49.33	385.00	5.16	-44.17
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=C(SC=C3)C2C)=NO1	REAL300020302594	0	46	-1.0	-53.54	375.49	9.04	-44.50
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=C(SC=C3)C2C)=NO1	REAL300020302594	1	46	-1.0	-53.56	375.44	9.03	-44.53
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCNC(=O)C2)=NO1	REAL300020302595	0	46	-1.0	-47.99	369.22	3.96	-44.03
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCNC(=O)C2)=NO1	REAL300020302595	1	46	-1.0	-48.00	369.28	3.98	-44.02
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCNC(=O)C2)=NO1	REAL300020302596	0	43	-1.0	-50.17	364.24	3.17	-47.00
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCNC(=O)C2)=NO1	REAL300020302596	1	43	-1.0	-50.15	364.18	3.14	-47.01
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3COC[C@@H]3C2)=NO1	REAL300020302597	0	47	-1.0	-41.97	374.61	5.93	-36.04
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3COC[C@@H]3C2)=NO1	REAL300020302597	1	47	-1.0	-41.92	374.67	5.94	-35.98
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3COC[C@@H]3C2)=NO1	REAL300020302598	0	44	-1.0	-44.37	348.23	5.22	-39.15
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3COC[C@@H]3C2)=NO1	REAL300020302598	1	44	-1.0	-44.39	348.18	5.21	-39.18
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCNC3=O)CC2)=NO1	REAL300020302599	0	50	-1.0	-65.47	398.30	5.01	-60.46
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCNC3=O)CC2)=NO1	REAL300020302599	1	50	-1.0	-65.49	398.35	5.04	-60.45
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)(C(F)(F)F)C2)=NO1	REAL300020302600	0	45	-1.0	-46.58	380.62	7.25	-39.33
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)(C(F)(F)F)C2)=NO1	REAL300020302600	1	45	-1.0	-46.57	380.68	7.27	-39.30
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC=C3C(C)C2)=NO1	REAL300020302601	0	49	-1.0	-48.41	391.12	8.51	-39.90
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC=C3C(C)C2)=NO1	REAL300020302601	1	49	-1.0	-48.40	391.06	8.49	-39.91
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC(C(F)F)C2)=NO1	REAL300020302602	0	46	-1.0	-40.92	395.16	6.05	-34.87
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC(C(F)F)C2)=NO1	REAL300020302602	1	46	-1.0	-40.94	395.21	6.06	-34.88
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C(F)F)C2)=NO1	REAL300020302603	0	43	-1.0	-46.86	371.13	5.42	-41.44
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C(F)F)C2)=NO1	REAL300020302603	1	43	-1.0	-46.86	371.18	5.44	-41.42
CC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302604	0	50	-1.0	-46.25	416.66	7.99	-38.26
CC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302604	1	50	-1.0	-46.26	416.71	8.01	-38.25
CC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302605	0	47	-1.0	-53.75	383.78	6.98	-46.77
CC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302605	1	47	-1.0	-53.71	383.84	7.01	-46.70
CC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302606	0	50	-1.0	-57.02	405.09	7.74	-49.28
CC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302606	1	50	-1.0	-57.05	405.14	7.75	-49.30
CC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302607	0	47	-1.0	-57.72	383.74	6.98	-50.74
CC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302607	1	47	-1.0	-57.72	383.68	6.96	-50.76
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C(C)(C)O)C2)=NO1	REAL300020302608	0	52	-1.0	-54.17	401.75	4.77	-49.40
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C(C)(C)O)C2)=NO1	REAL300020302608	1	52	-1.0	-54.15	401.80	4.79	-49.36
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC(C)C(C)(C)C)=NO1	REAL300020302609	0	56	-1.0	-49.21	419.44	10.81	-38.40
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC(C)C(C)(C)C)=NO1	REAL300020302609	1	56	-1.0	-49.17	419.49	10.82	-38.35
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC(C)C(C)(C)C)=NO1	REAL300020302610	0	53	-1.0	-46.87	406.94	10.02	-36.85
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC(C)C(C)(C)C)=NO1	REAL300020302610	1	53	-1.0	-46.90	406.99	10.04	-36.86
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOC(CCO)C2)=NO1	REAL300020302611	0	50	-1.0	-43.13	415.58	3.10	-40.03
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOC(CCO)C2)=NO1	REAL300020302611	1	50	-1.0	-43.16	415.63	3.10	-40.06
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(CCO)C2)=NO1	REAL300020302612	0	47	-1.0	-45.80	395.98	2.37	-43.43
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(CCO)C2)=NO1	REAL300020302612	1	47	-1.0	-45.80	396.04	2.40	-43.40
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CO)(CO)CC2)=NO1	REAL300020302613	0	50	-1.0	-54.80	395.93	3.06	-51.74
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CO)(CO)CC2)=NO1	REAL300020302613	1	50	-1.0	-54.82	395.99	3.08	-51.74
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN3C=CC=C3C2)=NO1	REAL300020302614	0	47	-1.0	-44.29	390.02	8.20	-36.09
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN3C=CC=C3C2)=NO1	REAL300020302614	1	47	-1.0	-44.36	390.07	8.22	-36.14
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN3C=CC=C3C2)=NO1	REAL300020302615	0	44	-1.0	-47.75	364.84	7.42	-40.33
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN3C=CC=C3C2)=NO1	REAL300020302615	1	44	-1.0	-47.75	364.80	7.40	-40.35
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(C#N)C2)=NO1	REAL300020302616	0	46	-1.0	-44.59	391.01	7.74	-36.85
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(C#N)C2)=NO1	REAL300020302616	1	46	-1.0	-44.58	391.06	7.76	-36.82
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C#N)C2)=NO1	REAL300020302617	0	43	-1.0	-53.30	359.93	6.80	-46.50
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C#N)C2)=NO1	REAL300020302617	1	43	-1.0	-53.28	359.87	6.77	-46.51
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C3CCCO3)C2)=NO1	REAL300020302618	0	53	-1.0	-52.43	423.94	7.61	-44.82
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C3CCCO3)C2)=NO1	REAL300020302618	1	53	-1.0	-52.34	424.00	7.62	-44.72
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3CCCO3)C2)=NO1	REAL300020302619	0	50	-1.0	-44.89	388.91	7.17	-37.72
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3CCCO3)C2)=NO1	REAL300020302619	1	50	-1.0	-44.91	388.96	7.19	-37.72
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302620	0	47	-1.0	-45.33	390.34	4.05	-41.28
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302620	1	47	-1.0	-45.32	390.40	4.08	-41.24
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3CCO[C@H]3C2)=NO1	REAL300020302621	0	47	-1.0	-53.91	373.77	6.08	-47.83
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3CCO[C@H]3C2)=NO1	REAL300020302621	1	47	-1.0	-53.86	373.83	6.09	-47.77
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3CCO[C@H]3C2)=NO1	REAL300020302622	0	44	-1.0	-47.74	354.19	5.23	-42.51
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3CCO[C@H]3C2)=NO1	REAL300020302622	1	44	-1.0	-47.75	354.15	5.22	-42.53
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CC[C@]3(CF)C2)=NO1	REAL300020302623	0	49	-1.0	-48.32	400.60	8.36	-39.96
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CC[C@]3(CF)C2)=NO1	REAL300020302623	1	49	-1.0	-48.33	400.66	8.38	-39.95
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CC[C@]3(CF)C2)=NO1	REAL300020302624	0	46	-1.0	-49.10	372.94	7.73	-41.37
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CC[C@]3(CF)C2)=NO1	REAL300020302624	1	46	-1.0	-49.11	372.98	7.76	-41.35
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CSC[C@@H]3C2)=NO1	REAL300020302625	0	47	-1.0	-43.09	390.45	7.91	-35.18
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CSC[C@@H]3C2)=NO1	REAL300020302625	1	47	-1.0	-43.09	390.51	7.92	-35.17
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CSC[C@@H]3C2)=NO1	REAL300020302626	0	44	-1.0	-46.03	364.23	7.20	-38.83
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CSC[C@@H]3C2)=NO1	REAL300020302626	1	44	-1.0	-46.02	364.19	7.19	-38.83
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=NOC(C)=N3)C2)=NO1	REAL300020302627	0	47	-1.0	-51.56	395.98	4.72	-46.84
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=NOC(C)=N3)C2)=NO1	REAL300020302627	1	47	-1.0	-51.58	396.03	4.75	-46.83
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(CC(F)F)C2CCC2)=NO1	REAL300020302628	0	48	-1.0	-50.78	404.91	7.71	-43.07
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(CC(F)F)C2CCC2)=NO1	REAL300020302628	1	48	-1.0	-50.81	404.96	7.72	-43.09
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC(F)F)C2CCC2)=NO1	REAL300020302629	0	45	-1.0	-50.30	364.41	7.47	-42.83
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC(F)F)C2CCC2)=NO1	REAL300020302629	1	45	-1.0	-50.28	364.46	7.49	-42.79
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302630	0	49	-1.0	-42.01	405.27	6.54	-35.47
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302630	1	49	-1.0	-42.05	405.33	6.56	-35.49
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302631	0	46	-1.0	-48.69	372.45	5.55	-43.14
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302631	1	46	-1.0	-48.70	372.39	5.52	-43.18
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCN3N=NC=C3C2)=NO1	REAL300020302632	0	48	-1.0	-44.66	403.94	5.84	-38.82
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCN3N=NC=C3C2)=NO1	REAL300020302632	1	48	-1.0	-44.64	403.99	5.85	-38.79
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCN3N=NC=C3C2)=NO1	REAL300020302633	0	45	-1.0	-51.70	375.55	5.56	-46.14
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCN3N=NC=C3C2)=NO1	REAL300020302633	1	45	-1.0	-51.66	375.51	5.53	-46.13
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[C@@H](C)C[C@@H](C)C2)=NO1	REAL300020302634	0	54	-1.0	-42.06	410.69	9.21	-32.85
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[C@@H](C)C[C@@H](C)C2)=NO1	REAL300020302634	1	54	-1.0	-42.00	410.75	9.23	-32.77
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@@H](C)C[C@@H](C)C2)=NO1	REAL300020302635	0	51	-1.0	-45.33	384.31	8.51	-36.82
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@@H](C)C[C@@H](C)C2)=NO1	REAL300020302635	1	51	-1.0	-45.30	384.26	8.49	-36.81
C=CCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302636	0	53	-1.0	-43.19	430.33	6.16	-37.03
C=CCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302636	1	53	-1.0	-43.15	430.38	6.17	-36.98
C=CCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302637	0	50	-1.0	-45.92	411.41	5.30	-40.62
C=CCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302637	1	50	-1.0	-45.95	411.47	5.33	-40.62
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCCF)=NO1	REAL300020302638	0	44	-1.0	-47.57	371.51	7.02	-40.55
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCCF)=NO1	REAL300020302638	1	44	-1.0	-47.62	371.57	7.03	-40.59
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCCF)=NO1	REAL300020302639	0	41	-1.0	-46.21	355.47	6.16	-40.05
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCCF)=NO1	REAL300020302639	1	41	-1.0	-46.15	355.42	6.13	-40.02
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N(C)CCCF)=NO1	REAL300020302640	0	48	-1.0	-47.26	404.60	9.00	-38.26
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N(C)CCCF)=NO1	REAL300020302640	1	48	-1.0	-47.19	404.64	8.98	-38.21
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2NC2=CN(C3CCCC3)N=C2)=NO1	REAL300020302641	0	49	-1.0	-48.90	408.00	9.32	-39.58
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2NC2=CN(C3CCCC3)N=C2)=NO1	REAL300020302641	1	49	-1.0	-48.89	407.94	9.30	-39.59
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C(F)F)C3(CC3)C2)=NO1	REAL300020302642	0	46	-1.0	-45.75	378.62	8.00	-37.75
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C(F)F)C3(CC3)C2)=NO1	REAL300020302642	1	46	-1.0	-45.76	378.68	8.02	-37.74
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC(=O)N2)=NO1	REAL300020302643	0	48	-1.0	-45.13	400.04	6.68	-38.45
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC(=O)N2)=NO1	REAL300020302643	1	48	-1.0	-45.18	400.09	6.70	-38.48
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC=CC(=O)N2)=NO1	REAL300020302644	0	45	-1.0	-49.75	384.54	5.55	-44.20
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC=CC(=O)N2)=NO1	REAL300020302644	1	45	-1.0	-49.74	384.48	5.52	-44.22
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2NC2=CN(C3CCC3)N=C2)=NO1	REAL300020302645	0	49	-1.0	-56.68	404.61	9.59	-47.09
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2NC2=CN(C3CCC3)N=C2)=NO1	REAL300020302645	1	49	-1.0	-56.68	404.55	9.58	-47.10
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2NC2=CN(C3CCC3)N=C2)=NO1	REAL300020302646	0	46	-1.0	-54.76	390.43	8.65	-46.11
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2NC2=CN(C3CCC3)N=C2)=NO1	REAL300020302646	1	46	-1.0	-54.79	390.38	8.63	-46.16
COC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302647	0	43	-1.0	-51.20	369.26	5.04	-46.16
COC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302647	1	43	-1.0	-51.20	369.31	5.05	-46.15
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3CCC(C3)C2)=NO1	REAL300020302648	0	52	-1.0	-47.64	394.45	9.82	-37.82
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3CCC(C3)C2)=NO1	REAL300020302648	1	52	-1.0	-47.61	394.51	9.84	-37.77
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CCC(C3)C2)=NO1	REAL300020302649	0	49	-1.0	-45.62	371.28	10.18	-35.44
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CCC(C3)C2)=NO1	REAL300020302649	1	49	-1.0	-45.67	371.23	10.15	-35.52
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302650	0	55	0.0	-77.05	425.76	8.09	-68.96
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302650	1	55	0.0	-62.40	431.96	8.90	-53.50
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302650	1	55	0.0	-77.02	425.82	8.10	-68.92
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302650	1	55	0.0	-62.39	432.01	8.91	-53.48
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302651	0	52	0.0	-64.35	407.22	7.56	-56.79
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302651	1	52	0.0	-73.90	404.21	7.27	-66.63
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302651	1	52	0.0	-64.36	407.28	7.58	-56.78
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)=NO1	REAL300020302651	1	52	0.0	-73.88	404.27	7.30	-66.58
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CCC[C@]3(C(N)=O)C2)=NO1	REAL300020302652	0	50	-1.0	-46.74	408.16	3.97	-42.77
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CCC[C@]3(C(N)=O)C2)=NO1	REAL300020302652	1	50	-1.0	-46.77	408.21	3.99	-42.78
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=C(C)C=CC=C2C)=NO1	REAL300020302653	0	51	-1.0	-48.87	405.20	9.08	-39.79
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=C(C)C=CC=C2C)=NO1	REAL300020302653	1	51	-1.0	-48.86	405.15	9.05	-39.81
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CC(C#N)=CS2)=NO1	REAL300020302654	0	43	-1.0	-44.78	393.59	7.80	-36.98
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CC(C#N)=CS2)=NO1	REAL300020302654	1	43	-1.0	-44.78	393.54	7.79	-36.99
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CC[C@@H]3C2)=NO1	REAL300020302655	0	46	-1.0	-41.95	370.41	7.80	-34.15
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CC[C@@H]3C2)=NO1	REAL300020302655	1	46	-1.0	-41.98	370.47	7.82	-34.16
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CC[C@@H]3C2)=NO1	REAL300020302656	0	43	-1.0	-46.99	345.53	7.07	-39.92
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CC[C@@H]3C2)=NO1	REAL300020302656	1	43	-1.0	-46.93	345.48	7.05	-39.88
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)=NO1	REAL300020302657	0	51	-1.0	-46.89	398.04	8.59	-38.30
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)=NO1	REAL300020302657	1	51	-1.0	-46.89	397.99	8.56	-38.33
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)=NO1	REAL300020302658	0	53	-1.0	-55.47	389.81	9.12	-46.35
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)=NO1	REAL300020302658	1	53	-1.0	-55.47	389.86	9.13	-46.34
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2OCCO2)=NO1	REAL300020302659	0	48	-1.0	-51.79	392.94	5.40	-46.39
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2OCCO2)=NO1	REAL300020302659	1	48	-1.0	-51.79	393.00	5.43	-46.36
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3=C(C2)N=NN3C)=NO1	REAL300020302660	0	48	-1.0	-51.05	400.22	5.04	-46.01
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3=C(C2)N=NN3C)=NO1	REAL300020302660	1	48	-1.0	-51.06	400.27	5.05	-46.01
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=C(C2)N=NN3C)=NO1	REAL300020302661	0	45	-1.0	-49.87	374.03	5.04	-44.83
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=C(C2)N=NN3C)=NO1	REAL300020302661	1	45	-1.0	-49.82	373.97	5.02	-44.80
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302662	0	48	-1.0	-45.24	390.24	7.74	-37.50
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302662	1	48	-1.0	-45.22	390.28	7.76	-37.46
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C3CCC2(C(N)=O)CC3)=NO1	REAL300020302663	0	50	-1.0	-46.01	403.89	4.31	-41.70
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C3CCC2(C(N)=O)CC3)=NO1	REAL300020302663	1	50	-1.0	-45.98	403.95	4.32	-41.66
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C3CCC2(C(N)=O)CC3)=NO1	REAL300020302664	0	47	-1.0	-44.20	373.49	3.03	-41.17
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C3CCC2(C(N)=O)CC3)=NO1	REAL300020302664	1	47	-1.0	-44.22	373.41	3.01	-41.21
CSCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302665	0	49	-1.0	-46.19	411.65	8.32	-37.87
CSCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302665	1	49	-1.0	-46.25	411.70	8.35	-37.90
CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302666	0	49	-1.0	-48.86	408.49	6.63	-42.23
CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302666	1	49	-1.0	-48.85	408.55	6.64	-42.21
CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302667	0	46	-1.0	-46.26	369.85	6.09	-40.17
CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302667	1	46	-1.0	-46.23	369.80	6.08	-40.15
CCN(CCC(=O)NC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302668	0	51	-1.0	-52.27	420.46	4.42	-47.85
CCN(CCC(=O)NC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302668	1	51	-1.0	-52.30	420.52	4.43	-47.87
CCN(CCC(=O)NC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302669	0	48	-1.0	-55.98	395.08	3.70	-52.28
CCN(CCC(=O)NC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302669	1	48	-1.0	-55.99	395.04	3.67	-52.32
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(F)(C3CC3)CC2)=NO1	REAL300020302670	0	49	-1.0	-55.18	395.56	8.96	-46.22
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(F)(C3CC3)CC2)=NO1	REAL300020302670	1	49	-1.0	-55.19	395.61	8.98	-46.21
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3=C(C2)SC=C3)=NO1	REAL300020302671	0	46	-1.0	-43.70	392.81	7.63	-36.07
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3=C(C2)SC=C3)=NO1	REAL300020302671	1	46	-1.0	-43.73	392.87	7.65	-36.08
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=C(C2)SC=C3)=NO1	REAL300020302672	0	43	-1.0	-48.99	368.28	6.69	-42.30
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=C(C2)SC=C3)=NO1	REAL300020302672	1	43	-1.0	-49.02	368.22	6.66	-42.36
C#CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302673	0	49	-1.0	-42.41	413.50	8.98	-33.43
C#CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302673	1	49	-1.0	-42.42	413.55	9.00	-33.42
C#CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302674	0	46	-1.0	-46.35	385.37	7.84	-38.51
C#CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302674	1	46	-1.0	-46.36	385.33	7.82	-38.54
C=CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302675	0	52	-1.0	-42.70	415.84	8.68	-34.02
C=CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302675	1	52	-1.0	-42.74	415.89	8.70	-34.04
C=CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302676	0	49	-1.0	-45.66	396.51	8.00	-37.66
C=CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302676	1	49	-1.0	-45.64	396.45	7.97	-37.67
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CC2CCC3(F)F)=NO1	REAL300020302677	0	46	-1.0	-52.04	361.42	6.51	-45.53
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CC2CCC3(F)F)=NO1	REAL300020302677	1	46	-1.0	-52.05	361.48	6.54	-45.51
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3C[C@]3(C(C)C)C2)=NO1	REAL300020302678	0	52	-1.0	-48.12	411.09	8.90	-39.22
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3C[C@]3(C(C)C)C2)=NO1	REAL300020302678	1	52	-1.0	-48.15	411.15	8.92	-39.23
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3C[C@]3(C(C)C)C2)=NO1	REAL300020302679	0	49	-1.0	-44.34	381.73	8.54	-35.80
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3C[C@]3(C(C)C)C2)=NO1	REAL300020302679	1	49	-1.0	-44.28	381.69	8.52	-35.76
C#CCN(CCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302680	0	44	-1.0	-43.20	383.38	3.97	-39.23
C#CCN(CCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302680	1	44	-1.0	-43.20	383.44	3.99	-39.21
C#CCN(CCO)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302681	0	41	-1.0	-45.36	358.39	3.19	-42.17
C#CCN(CCO)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302681	1	41	-1.0	-45.34	358.36	3.18	-42.16
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3CCCC32)=NO1	REAL300020302682	0	49	-1.0	-50.50	379.87	8.55	-41.95
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3CCCC32)=NO1	REAL300020302682	1	49	-1.0	-50.52	379.93	8.56	-41.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CCCC32)=NO1	REAL300020302683	0	46	-1.0	-45.94	369.22	7.91	-38.03
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CCCC32)=NO1	REAL300020302683	1	46	-1.0	-45.96	369.17	7.89	-38.07
CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302684	0	51	-1.0	-49.73	402.51	7.90	-41.83
CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302684	1	51	-1.0	-49.74	402.56	7.92	-41.82
CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302685	0	48	-1.0	-46.09	390.83	6.85	-39.24
CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302685	1	48	-1.0	-46.06	390.77	6.83	-39.23
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(N3N=CC=N3)C2)=NO1	REAL300020302686	0	48	-1.0	-47.88	407.54	5.91	-41.97
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(N3N=CC=N3)C2)=NO1	REAL300020302686	1	48	-1.0	-47.84	407.48	5.88	-41.96
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(CCCO3)CC2)=NO1	REAL300020302687	0	53	-1.0	-51.75	415.59	7.50	-44.25
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(CCCO3)CC2)=NO1	REAL300020302687	1	53	-1.0	-51.76	415.64	7.51	-44.25
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCCO3)CC2)=NO1	REAL300020302688	0	50	-1.0	-47.02	404.57	6.83	-40.19
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCCO3)CC2)=NO1	REAL300020302688	1	50	-1.0	-47.00	404.63	6.85	-40.15
C#CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302689	0	51	-1.0	-49.59	421.53	7.82	-41.77
C#CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302689	1	51	-1.0	-49.64	421.58	7.83	-41.81
C#CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302690	0	48	-1.0	-46.80	407.61	7.28	-39.52
C#CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302690	1	48	-1.0	-46.77	407.65	7.31	-39.46
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCNC(=O)CC2)=NO1	REAL300020302691	0	49	-1.0	-44.78	394.95	4.82	-39.96
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCNC(=O)CC2)=NO1	REAL300020302691	1	49	-1.0	-44.79	395.00	4.83	-39.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCNC(=O)CC2)=NO1	REAL300020302692	0	46	-1.0	-47.49	370.34	4.29	-43.20
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCNC(=O)CC2)=NO1	REAL300020302692	1	46	-1.0	-47.49	370.30	4.27	-43.22
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CSCC(C3)C2)=NO1	REAL300020302693	0	47	-1.0	-45.39	385.14	9.16	-36.23
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CSCC(C3)C2)=NO1	REAL300020302693	1	47	-1.0	-45.37	385.19	9.19	-36.18
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C[C@@H]1F	REAL300020302694	0	49	-1.0	-41.70	409.57	6.38	-35.32
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C[C@@H]1F	REAL300020302694	1	49	-1.0	-41.74	409.63	6.40	-35.34
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C[C@@H]1F	REAL300020302695	0	46	-1.0	-44.66	389.29	5.85	-38.81
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C[C@@H]1F	REAL300020302695	1	46	-1.0	-44.64	389.35	5.87	-38.77
COC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302696	0	48	-1.0	-50.46	396.51	6.92	-43.54
COC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302696	1	48	-1.0	-50.50	396.57	6.94	-43.56
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=NOC(C)=C3)C2=C1	REAL300020302697	0	47	-1.0	-53.47	387.45	9.86	-43.61
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=NOC(C)=C3)C2=C1	REAL300020302697	1	47	-1.0	-53.48	387.39	9.84	-43.64
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1(C)C	REAL300020302698	0	54	0.0	-56.98	412.89	8.11	-48.87
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1(C)C	REAL300020302698	1	54	0.0	-58.83	412.69	8.13	-50.70
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1(C)C	REAL300020302698	1	54	0.0	-57.02	412.93	8.14	-48.88
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1(C)C	REAL300020302698	1	54	0.0	-58.85	412.74	8.16	-50.69
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3C[C@]3(C)C2)=NO1	REAL300020302699	0	46	-1.0	-47.13	385.00	7.84	-39.29
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3C[C@]3(C)C2)=NO1	REAL300020302699	1	46	-1.0	-47.17	385.05	7.85	-39.32
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3C[C@]3(C)C2)=NO1	REAL300020302700	0	43	-1.0	-45.14	360.05	7.10	-38.04
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3C[C@]3(C)C2)=NO1	REAL300020302700	1	43	-1.0	-45.13	360.00	7.08	-38.05
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCCC3(CCC3)C2)=NO1	REAL300020302701	0	55	-1.0	-40.88	422.65	9.39	-31.49
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCCC3(CCC3)C2)=NO1	REAL300020302701	1	55	-1.0	-40.86	422.70	9.40	-31.46
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCC3(CCC3)C2)=NO1	REAL300020302702	0	52	-1.0	-44.50	403.34	8.89	-35.61
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCC3(CCC3)C2)=NO1	REAL300020302702	1	52	-1.0	-44.52	403.41	8.91	-35.61
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN3N=C(C)C=C3C2)=NO1	REAL300020302703	0	49	-1.0	-49.49	394.90	7.08	-42.41
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN3N=C(C)C=C3C2)=NO1	REAL300020302703	1	49	-1.0	-49.53	394.96	7.09	-42.44
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN3N=C(C)C=C3C2)=NO1	REAL300020302704	0	46	-1.0	-48.67	380.70	6.15	-42.52
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN3N=C(C)C=C3C2)=NO1	REAL300020302704	1	46	-1.0	-48.69	380.64	6.13	-42.56
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CCOCC1	REAL300020302705	0	51	-1.0	-44.64	410.99	7.35	-37.29
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CCOCC1	REAL300020302705	1	51	-1.0	-44.66	410.93	7.33	-37.33
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CCCC1	REAL300020302706	0	53	-1.0	-49.32	429.70	8.96	-40.36
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CCCC1	REAL300020302706	1	53	-1.0	-49.32	429.76	8.98	-40.34
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CCCC1	REAL300020302707	0	50	-1.0	-45.44	397.98	8.57	-36.87
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CCCC1	REAL300020302707	1	50	-1.0	-45.45	397.92	8.54	-36.91
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=CC(Cl)=C3C2)=NO1	REAL300020302708	0	43	-1.0	-45.76	376.46	8.34	-37.42
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=CC(Cl)=C3C2)=NO1	REAL300020302708	1	43	-1.0	-45.74	376.42	8.33	-37.41
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3[C@H](CCC3(F)F)C2)=NO1	REAL300020302709	0	46	-1.0	-45.82	372.83	7.93	-37.89
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3[C@H](CCC3(F)F)C2)=NO1	REAL300020302709	1	46	-1.0	-45.81	372.89	7.96	-37.85
C=CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302710	0	51	-1.0	-42.54	416.78	8.23	-34.31
C=CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302710	1	51	-1.0	-42.58	416.84	8.24	-34.34
C=CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302711	0	48	-1.0	-45.67	391.40	7.52	-38.15
C=CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302711	1	48	-1.0	-45.59	391.33	7.49	-38.10
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3CSC[C@@]3(C)C2)=NO1	REAL300020302712	0	47	-1.0	-45.88	382.93	7.63	-38.25
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3CSC[C@@]3(C)C2)=NO1	REAL300020302712	1	47	-1.0	-45.89	382.98	7.64	-38.25
C#CC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302713	0	44	-1.0	-44.69	374.58	7.65	-37.04
C#CC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302713	1	44	-1.0	-44.66	374.63	7.67	-36.99
C#CC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302714	0	41	-1.0	-47.04	346.20	7.19	-39.85
C#CC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302714	1	41	-1.0	-47.06	346.15	7.16	-39.90
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302715	0	49	-1.0	-50.39	396.24	8.42	-41.97
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302715	1	49	-1.0	-50.36	396.19	8.39	-41.97
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2C2CCCCO2)=NO1	REAL300020302716	0	53	-1.0	-49.56	416.60	7.58	-41.98
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2C2CCCCO2)=NO1	REAL300020302716	1	53	-1.0	-49.63	416.64	7.61	-42.02
C#CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302717	0	47	-1.0	-41.76	396.52	7.75	-34.01
C#CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302717	1	47	-1.0	-41.78	396.57	7.76	-34.02
C#CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302718	0	44	-1.0	-52.89	370.10	7.60	-45.29
C#CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302718	1	44	-1.0	-52.88	370.06	7.58	-45.30
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C[C@@H]2CCC(=O)N2)=NO1	REAL300020302719	0	49	-1.0	-45.84	404.70	4.79	-41.05
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C[C@@H]2CCC(=O)N2)=NO1	REAL300020302719	1	49	-1.0	-45.84	404.76	4.81	-41.03
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C[C@@H]2CCC(=O)N2)=NO1	REAL300020302720	0	46	-1.0	-47.86	386.46	4.00	-43.86
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C[C@@H]2CCC(=O)N2)=NO1	REAL300020302720	1	46	-1.0	-47.87	386.40	4.00	-43.87
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302721	0	49	-1.0	-49.20	400.88	11.99	-37.21
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302721	1	49	-1.0	-49.25	400.83	11.97	-37.28
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CCC[C@@H]3C2)=NO1	REAL300020302722	0	49	-1.0	-49.97	382.32	8.37	-41.60
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CCC[C@@H]3C2)=NO1	REAL300020302722	1	49	-1.0	-49.98	382.37	8.38	-41.60
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3CCC[C@@H]3C2)=NO1	REAL300020302723	0	46	-1.0	-46.56	363.76	7.53	-39.03
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3CCC[C@@H]3C2)=NO1	REAL300020302723	1	46	-1.0	-46.56	363.72	7.51	-39.05
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302724	0	43	-1.0	-40.51	354.10	7.21	-33.30
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302724	1	43	-1.0	-40.54	354.15	7.23	-33.31
C=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302725	0	40	-1.0	-47.71	340.40	6.25	-41.46
C=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302725	1	40	-1.0	-47.71	340.34	6.22	-41.49
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CC2=NOC(C)=C2)C1	REAL300020302726	0	47	-1.0	-47.12	394.40	9.17	-37.95
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CC2=NOC(C)=C2)C1	REAL300020302726	1	47	-1.0	-47.14	394.47	9.16	-37.98
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@]3(CO)C[C@@]3(CO)C2)=NO1	REAL300020302727	0	48	-1.0	-58.68	391.98	1.87	-56.81
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@]3(CO)C[C@@]3(CO)C2)=NO1	REAL300020302727	1	48	-1.0	-58.64	392.02	1.88	-56.76
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC34CCC3(COC4)C2)=NO1	REAL300020302728	0	51	-1.0	-48.35	403.26	6.52	-41.83
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC34CCC3(COC4)C2)=NO1	REAL300020302728	1	51	-1.0	-48.34	403.31	6.53	-41.81
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC34CCC3(COC4)C2)=NO1	REAL300020302729	0	48	-1.0	-44.13	384.95	5.97	-38.16
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC34CCC3(COC4)C2)=NO1	REAL300020302729	1	48	-1.0	-44.12	385.00	6.00	-38.12
C=CCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302730	0	48	-1.0	-41.96	402.04	7.39	-34.57
C=CCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302730	1	48	-1.0	-41.97	402.10	7.41	-34.56
C=CCN(CCC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302731	0	45	-1.0	-46.50	372.09	6.86	-39.64
C=CCN(CCC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302731	1	45	-1.0	-46.47	372.06	6.83	-39.64
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCO[C@H](C(F)(F)F)C2)=NO1	REAL300020302732	0	43	-1.0	-46.99	381.27	5.23	-41.76
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCO[C@H](C(F)(F)F)C2)=NO1	REAL300020302732	1	43	-1.0	-47.06	381.33	5.25	-41.81
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCO[C@@H](C(F)(F)F)C2)=NO1	REAL300020302733	0	43	-1.0	-45.11	378.08	5.29	-39.82
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCO[C@@H](C(F)(F)F)C2)=NO1	REAL300020302733	1	43	-1.0	-45.14	378.12	5.32	-39.82
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=NN(C)C=C2)=NO1	REAL300020302734	0	48	-1.0	-46.58	412.64	6.68	-39.90
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=NN(C)C=C2)=NO1	REAL300020302734	1	48	-1.0	-46.61	412.70	6.69	-39.92
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=NN(C)C=C2)=NO1	REAL300020302735	0	45	-1.0	-54.46	378.57	5.86	-48.60
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=NN(C)C=C2)=NO1	REAL300020302735	1	45	-1.0	-54.50	378.52	5.84	-48.66
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN3C(=O)N(C)N=C3C2)=NO1	REAL300020302736	0	46	-1.0	-47.76	382.48	5.29	-42.47
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN3C(=O)N(C)N=C3C2)=NO1	REAL300020302736	1	46	-1.0	-47.76	382.43	5.26	-42.50
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3CCC(=O)C2C3)=NO1	REAL300020302737	0	51	-1.0	-49.95	404.86	8.19	-41.76
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3CCC(=O)C2C3)=NO1	REAL300020302737	1	51	-1.0	-49.94	404.92	8.20	-41.74
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CCC(=O)C2C3)=NO1	REAL300020302738	0	48	-1.0	-60.06	374.13	7.24	-52.82
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CCC(=O)C2C3)=NO1	REAL300020302738	1	48	-1.0	-60.09	374.07	7.21	-52.88
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CCOCC2)=NO1	REAL300020302739	0	49	-1.0	-47.98	400.36	5.46	-42.52
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CCOCC2)=NO1	REAL300020302739	1	49	-1.0	-47.97	400.42	5.48	-42.49
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCOCC2)=NO1	REAL300020302740	0	46	-1.0	-47.39	378.92	4.69	-42.70
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCOCC2)=NO1	REAL300020302740	1	46	-1.0	-47.45	378.86	4.67	-42.78
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(C2)COCCO3)=NO1	REAL300020302741	0	48	-1.0	-50.73	387.20	4.78	-45.95
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(C2)COCCO3)=NO1	REAL300020302741	1	48	-1.0	-50.74	387.25	4.80	-45.94
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(F)(F)CCC2C)=NO1	REAL300020302742	0	48	-1.0	-47.06	394.78	7.92	-39.14
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(F)(F)CCC2C)=NO1	REAL300020302742	1	48	-1.0	-47.05	394.84	7.93	-39.12
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(F)(F)CCC2C)=NO1	REAL300020302743	0	45	-1.0	-44.47	382.65	6.52	-37.95
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(F)(F)CCC2C)=NO1	REAL300020302743	1	45	-1.0	-44.48	382.71	6.55	-37.93
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(CCCO3)C2)=NO1	REAL300020302744	0	50	-1.0	-43.43	408.24	6.55	-36.88
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(CCCO3)C2)=NO1	REAL300020302744	1	50	-1.0	-43.48	408.29	6.56	-36.92
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCCO3)C2)=NO1	REAL300020302745	0	47	-1.0	-43.54	369.50	6.32	-37.22
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCCO3)C2)=NO1	REAL300020302745	1	47	-1.0	-43.52	369.46	6.29	-37.23
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302746	0	51	-1.0	-53.69	428.00	8.58	-45.11
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302746	1	51	-1.0	-53.67	427.94	8.55	-45.12
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOCC(C)(C)C2)=NO1	REAL300020302747	0	52	-1.0	-41.01	383.92	6.15	-34.86
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOCC(C)(C)C2)=NO1	REAL300020302747	1	52	-1.0	-41.03	383.98	6.17	-34.86
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOCC(C)(C)C2)=NO1	REAL300020302748	0	49	-1.0	-52.18	379.72	6.93	-45.25
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOCC(C)(C)C2)=NO1	REAL300020302748	1	49	-1.0	-52.16	379.67	6.92	-45.24
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3COCCC32)=NO1	REAL300020302749	0	50	-1.0	-49.47	401.68	6.45	-43.02
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3COCCC32)=NO1	REAL300020302749	1	50	-1.0	-49.50	401.73	6.46	-43.04
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3COCCC32)=NO1	REAL300020302750	0	47	-1.0	-51.84	368.18	5.03	-46.81
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3COCCC32)=NO1	REAL300020302750	1	47	-1.0	-51.87	368.12	5.00	-46.87
C=CCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302751	0	51	-1.0	-48.28	420.73	9.00	-39.28
C=CCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302751	1	51	-1.0	-48.29	420.79	9.02	-39.27
C=CCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302752	0	48	-1.0	-46.85	404.69	8.14	-38.71
C=CCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302752	1	48	-1.0	-46.85	404.63	8.12	-38.73
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CC(F)(F)C2)=NO1	REAL300020302753	0	45	-1.0	-49.43	382.88	7.64	-41.79
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CC(F)(F)C2)=NO1	REAL300020302753	1	45	-1.0	-49.45	382.94	7.66	-41.79
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CC(F)(F)C2)=NO1	REAL300020302754	0	42	-1.0	-47.02	367.52	6.76	-40.26
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CC(F)(F)C2)=NO1	REAL300020302754	1	42	-1.0	-46.98	367.58	6.79	-40.19
COC1CCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302755	0	49	-1.0	-51.12	397.39	6.44	-44.68
COC1CCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302755	1	49	-1.0	-51.07	397.45	6.46	-44.61
COC1CCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302756	0	46	-1.0	-55.94	366.97	6.41	-49.53
COC1CCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302756	1	46	-1.0	-55.86	366.92	6.41	-49.45
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302757	0	50	-1.0	-43.40	409.10	7.36	-36.04
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302757	1	50	-1.0	-43.40	409.16	7.37	-36.03
C=CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302758	0	47	-1.0	-48.81	399.96	6.44	-42.37
C=CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302758	1	47	-1.0	-48.82	399.90	6.42	-42.40
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302759	0	50	-1.0	-49.24	407.91	9.11	-40.13
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302759	1	50	-1.0	-49.24	407.97	9.12	-40.12
C#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302760	0	47	-1.0	-45.49	394.03	8.60	-36.89
C#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302760	1	47	-1.0	-45.47	393.99	8.57	-36.90
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C3CCCC3)C2)=NO1	REAL300020302761	0	55	-1.0	-44.07	435.24	9.65	-34.42
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C3CCCC3)C2)=NO1	REAL300020302761	1	55	-1.0	-44.03	435.29	9.67	-34.36
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC[C@H]1C	REAL300020302762	0	52	-1.0	-48.42	425.10	6.96	-41.46
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC[C@H]1C	REAL300020302762	1	52	-1.0	-48.46	425.16	6.98	-41.48
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC[C@H]1C	REAL300020302763	0	49	-1.0	-47.91	403.66	6.19	-41.72
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC[C@H]1C	REAL300020302763	1	49	-1.0	-47.88	403.60	6.16	-41.72
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(=O)NC(C)(C)C2)=NO1	REAL300020302764	0	49	-1.0	-46.19	398.58	4.82	-41.37
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(=O)NC(C)(C)C2)=NO1	REAL300020302764	1	49	-1.0	-46.22	398.64	4.83	-41.39
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(=O)NC(C)(C)C2)=NO1	REAL300020302765	0	46	-1.0	-45.72	377.20	4.06	-41.66
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(=O)NC(C)(C)C2)=NO1	REAL300020302765	1	46	-1.0	-45.70	377.14	4.04	-41.66
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCCC(C)C)=NO1	REAL300020302766	0	53	-1.0	-47.94	425.49	8.96	-38.98
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCCC(C)C)=NO1	REAL300020302766	1	53	-1.0	-47.97	425.54	8.97	-39.00
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCCC(C)C)=NO1	REAL300020302767	0	50	-1.0	-46.38	409.45	8.09	-38.29
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCCC(C)C)=NO1	REAL300020302767	1	50	-1.0	-46.44	409.39	8.06	-38.38
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCN2C=CN=C2)=NO1	REAL300020302768	0	48	-1.0	-46.28	411.35	8.60	-37.68
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCN2C=CN=C2)=NO1	REAL300020302768	1	48	-1.0	-46.32	411.41	8.61	-37.71
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCN2C=CN=C2)=NO1	REAL300020302769	0	45	-1.0	-53.10	383.89	8.04	-45.06
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCN2C=CN=C2)=NO1	REAL300020302769	1	45	-1.0	-53.09	383.95	8.06	-45.03
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CCSCC2)=NO1	REAL300020302770	0	49	-1.0	-49.68	398.21	8.60	-41.08
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CCSCC2)=NO1	REAL300020302770	1	49	-1.0	-49.67	398.27	8.62	-41.05
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=CN=CN2C)=NO1	REAL300020302771	0	48	-1.0	-41.04	403.71	8.05	-32.99
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=CN=CN2C)=NO1	REAL300020302771	1	48	-1.0	-41.02	403.77	8.06	-32.96
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=CN=CN2C)=NO1	REAL300020302772	0	45	-1.0	-45.09	384.85	7.48	-37.61
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=CN=CN2C)=NO1	REAL300020302772	1	45	-1.0	-45.13	384.90	7.51	-37.62
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)OCC(C)(C)C2)=NO1	REAL300020302773	0	52	-1.0	-51.18	394.97	6.69	-44.49
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)OCC(C)(C)C2)=NO1	REAL300020302773	1	52	-1.0	-51.14	395.01	6.70	-44.44
COCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302774	0	52	-1.0	-51.38	408.59	6.22	-45.16
COCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302774	1	52	-1.0	-51.41	408.65	6.25	-45.16
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302775	0	50	-1.0	-42.49	386.06	7.03	-35.46
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302775	1	50	-1.0	-42.55	386.11	7.05	-35.50
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302776	0	47	-1.0	-55.67	359.55	6.74	-48.93
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302776	1	47	-1.0	-55.69	359.50	6.73	-48.96
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C[C@]23CCC[C@H]2OCC3)=NO1	REAL300020302777	0	53	-1.0	-43.71	404.63	7.91	-35.80
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C[C@]23CCC[C@H]2OCC3)=NO1	REAL300020302777	1	53	-1.0	-43.73	404.69	7.93	-35.80
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCCC(C2)O3)=NO1	REAL300020302778	0	50	-1.0	-48.49	387.84	8.34	-40.15
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCCC(C2)O3)=NO1	REAL300020302778	1	50	-1.0	-48.48	387.90	8.35	-40.13
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCCC(C2)O3)=NO1	REAL300020302779	0	47	-1.0	-48.80	366.41	7.58	-41.22
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCCC(C2)O3)=NO1	REAL300020302779	1	47	-1.0	-48.82	366.36	7.55	-41.27
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@@H]3OCCO[C@H]3C2)=NO1	REAL300020302780	0	48	-1.0	-50.12	384.14	4.87	-45.25
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@@H]3OCCO[C@H]3C2)=NO1	REAL300020302780	1	48	-1.0	-50.13	384.20	4.89	-45.24
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302781	0	54	-1.0	-42.24	415.87	8.60	-33.64
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302781	1	54	-1.0	-42.20	415.92	8.62	-33.58
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302782	0	51	-1.0	-53.20	383.43	8.97	-44.23
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302782	1	51	-1.0	-53.20	383.39	8.96	-44.24
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC12CC2	REAL300020302783	0	50	-1.0	-49.84	409.29	6.73	-43.11
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC12CC2	REAL300020302783	1	50	-1.0	-49.81	409.35	6.74	-43.07
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC12CC2	REAL300020302784	0	47	-1.0	-45.61	385.10	6.50	-39.11
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC12CC2	REAL300020302784	1	47	-1.0	-45.61	385.04	6.47	-39.14
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(CCOC3=O)C2)=NO1	REAL300020302785	0	49	-1.0	-53.53	399.37	7.06	-46.47
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(CCOC3=O)C2)=NO1	REAL300020302785	1	49	-1.0	-53.51	399.43	7.07	-46.44
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCOC3=O)C2)=NO1	REAL300020302786	0	46	-1.0	-54.11	370.11	6.90	-47.21
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCOC3=O)C2)=NO1	REAL300020302786	1	46	-1.0	-54.11	370.16	6.92	-47.19
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN3C(=CN=C3C)C2)=NO1	REAL300020302787	0	49	-1.0	-53.08	393.71	7.70	-45.38
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN3C(=CN=C3C)C2)=NO1	REAL300020302787	1	49	-1.0	-53.08	393.77	7.71	-45.37
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN3C(=CN=C3C)C2)=NO1	REAL300020302788	0	46	-1.0	-52.66	383.21	6.98	-45.68
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN3C(=CN=C3C)C2)=NO1	REAL300020302788	1	46	-1.0	-52.67	383.26	7.01	-45.66
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)(C)C2C)=NO1	REAL300020302789	0	51	-1.0	-49.44	399.19	8.11	-41.33
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)(C)C2C)=NO1	REAL300020302789	1	51	-1.0	-49.48	399.24	8.13	-41.35
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)(C)C2C)=NO1	REAL300020302790	0	48	-1.0	-50.57	377.80	7.35	-43.22
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)(C)C2C)=NO1	REAL300020302790	1	48	-1.0	-50.57	377.74	7.33	-43.24
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCNC(=O)C(F)(F)C2)=NO1	REAL300020302791	0	43	-1.0	-45.86	354.72	2.44	-43.42
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCNC(=O)C(F)(F)C2)=NO1	REAL300020302791	1	43	-1.0	-45.87	354.68	2.43	-43.44
COCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302792	0	50	-1.0	-44.90	418.24	4.79	-40.11
COCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302792	1	50	-1.0	-44.88	418.29	4.81	-40.07
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=CC(O)=CC=C3C2)=NO1	REAL300020302793	0	47	-1.0	-50.06	388.48	4.67	-45.39
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=CC(O)=CC=C3C2)=NO1	REAL300020302793	1	47	-1.0	-50.09	388.42	4.64	-45.45
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2(CC(C)C)CC2)=NO1	REAL300020302794	0	57	-1.0	-48.38	442.53	10.32	-38.06
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2(CC(C)C)CC2)=NO1	REAL300020302794	1	57	-1.0	-48.37	442.59	10.33	-38.04
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2(CC(C)C)CC2)=NO1	REAL300020302795	0	54	-1.0	-43.90	429.05	9.30	-34.60
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2(CC(C)C)CC2)=NO1	REAL300020302795	1	54	-1.0	-43.91	429.10	9.33	-34.58
C=CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302796	0	48	-1.0	-47.85	399.24	8.22	-39.63
C=CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302796	1	48	-1.0	-47.85	399.29	8.24	-39.61
C=CCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302797	0	45	-1.0	-46.38	383.20	7.36	-39.02
C=CCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302797	1	45	-1.0	-46.37	383.13	7.34	-39.03
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(CCCO3)C2)=NO1	REAL300020302798	0	53	-1.0	-49.81	416.35	7.46	-42.35
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(CCCO3)C2)=NO1	REAL300020302798	1	53	-1.0	-49.77	416.40	7.47	-42.30
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCCO3)C2)=NO1	REAL300020302799	0	50	-1.0	-52.44	390.31	6.06	-46.38
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCCO3)C2)=NO1	REAL300020302799	1	50	-1.0	-52.44	390.36	6.09	-46.35
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3OC(=O)O[C@H]3C2)=NO1	REAL300020302800	0	44	-1.0	-49.00	370.42	6.60	-42.40
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3OC(=O)O[C@H]3C2)=NO1	REAL300020302800	1	44	-1.0	-49.05	370.48	6.62	-42.43
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3OC(=O)O[C@H]3C2)=NO1	REAL300020302801	0	41	-1.0	-51.82	354.74	5.57	-46.25
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3OC(=O)O[C@H]3C2)=NO1	REAL300020302801	1	41	-1.0	-51.80	354.68	5.54	-46.26
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(COC3)C2)=NO1	REAL300020302802	0	50	-1.0	-49.19	398.39	6.23	-42.96
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(COC3)C2)=NO1	REAL300020302802	1	50	-1.0	-49.19	398.45	6.25	-42.94
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(COC3)C2)=NO1	REAL300020302803	0	47	-1.0	-45.36	384.39	5.74	-39.62
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(COC3)C2)=NO1	REAL300020302803	1	47	-1.0	-45.35	384.34	5.73	-39.62
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2=CN(C)N=N2)C2CC2)=NO1	REAL300020302804	0	48	-1.0	-52.71	388.25	6.41	-46.30
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2=CN(C)N=N2)C2CC2)=NO1	REAL300020302804	1	48	-1.0	-52.69	388.20	6.39	-46.30
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C[C@H]1F	REAL300020302805	0	46	-1.0	-47.53	390.20	5.69	-41.84
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C[C@H]1F	REAL300020302805	1	46	-1.0	-47.53	390.26	5.70	-41.83
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C[C@H]1F	REAL300020302806	0	43	-1.0	-47.06	362.23	4.74	-42.32
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C[C@H]1F	REAL300020302806	1	43	-1.0	-47.08	362.18	4.72	-42.36
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CCC(C)(C)C)C2)=NO1	REAL300020302807	0	57	-1.0	-46.36	438.48	9.77	-36.59
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CCC(C)(C)C)C2)=NO1	REAL300020302807	1	57	-1.0	-46.42	438.52	9.79	-36.63
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302808	0	55	-1.0	-40.72	420.32	9.35	-31.37
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302808	1	55	-1.0	-40.71	420.38	9.37	-31.34
CCC1CC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302809	0	52	-1.0	-44.70	396.14	8.75	-35.95
CCC1CC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302809	1	52	-1.0	-44.67	396.09	8.73	-35.94
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC(C(F)F)C2)=NO1	REAL300020302810	0	48	-1.0	-48.42	404.79	8.33	-40.09
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC(C(F)F)C2)=NO1	REAL300020302810	1	48	-1.0	-48.45	404.85	8.35	-40.10
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C(F)F)C2)=NO1	REAL300020302811	0	45	-1.0	-53.87	367.28	6.72	-47.15
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C(F)F)C2)=NO1	REAL300020302811	1	45	-1.0	-53.91	367.34	6.74	-47.17
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCCC2=CC=CC=N2)=NO1	REAL300020302812	0	50	-1.0	-46.69	425.08	8.06	-38.63
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCCC2=CC=CC=N2)=NO1	REAL300020302812	1	50	-1.0	-46.69	425.14	8.08	-38.61
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H](C)[C@H](C(F)(F)F)C2)=NO1	REAL300020302813	0	45	-1.0	-44.89	374.40	7.64	-37.25
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H](C)[C@H](C(F)(F)F)C2)=NO1	REAL300020302813	1	45	-1.0	-44.90	374.44	7.66	-37.24
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[C@H](C(N)=O)C2)=NO1	REAL300020302814	0	49	-1.0	-48.42	405.56	4.00	-44.42
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[C@H](C(N)=O)C2)=NO1	REAL300020302814	1	49	-1.0	-48.37	405.62	4.02	-44.35
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@H](C(N)=O)C2)=NO1	REAL300020302815	0	46	-1.0	-51.28	383.22	3.39	-47.89
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@H](C(N)=O)C2)=NO1	REAL300020302815	1	46	-1.0	-51.30	383.17	3.37	-47.93
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)=NO1	REAL300020302816	0	50	-1.0	-57.54	398.46	5.94	-51.60
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)=NO1	REAL300020302816	1	50	-1.0	-57.58	398.52	5.96	-51.62
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C(C)CC(N)=O)=NO1	REAL300020302817	0	48	-1.0	-48.41	395.69	3.88	-44.53
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C(C)CC(N)=O)=NO1	REAL300020302817	1	48	-1.0	-48.42	395.75	3.89	-44.53
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C(C)CC(N)=O)=NO1	REAL300020302818	0	45	-1.0	-52.23	370.55	3.21	-49.02
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C(C)CC(N)=O)=NO1	REAL300020302818	1	45	-1.0	-52.24	370.49	3.19	-49.05
CC1=CSC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=C1	REAL300020302819	0	48	-1.0	-41.38	421.06	8.76	-32.62
CC1=CSC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=C1	REAL300020302819	1	48	-1.0	-41.38	421.11	8.78	-32.60
CC1=CSC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=C1	REAL300020302820	0	45	-1.0	-43.19	399.62	8.00	-35.19
CC1=CSC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=C1	REAL300020302820	1	45	-1.0	-43.22	399.56	7.98	-35.24
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]3OCC[C@@H]3C2)=NO1	REAL300020302821	0	53	-1.0	-41.71	421.01	7.15	-34.56
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]3OCC[C@@H]3C2)=NO1	REAL300020302821	1	53	-1.0	-41.68	421.07	7.16	-34.52
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]3OCC[C@@H]3C2)=NO1	REAL300020302822	0	50	-1.0	-48.67	385.48	5.92	-42.75
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]3OCC[C@@H]3C2)=NO1	REAL300020302822	1	50	-1.0	-48.69	385.53	5.94	-42.75
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2NC2=CN(CC3CCC3)N=C2)=NO1	REAL300020302823	0	49	-1.0	-55.61	414.49	9.59	-46.02
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2NC2=CN(CC3CCC3)N=C2)=NO1	REAL300020302823	1	49	-1.0	-55.64	414.43	9.57	-46.07
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2C3CCCC32)=NO1	REAL300020302824	0	49	-1.0	-49.87	382.41	8.73	-41.14
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2C3CCCC32)=NO1	REAL300020302824	1	49	-1.0	-49.87	382.46	8.75	-41.12
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2C3CCCC32)=NO1	REAL300020302825	0	46	-1.0	-49.75	368.29	7.82	-41.93
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2C3CCCC32)=NO1	REAL300020302825	1	46	-1.0	-49.77	368.24	7.79	-41.98
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CC2C3)=NO1	REAL300020302826	0	43	-1.0	-47.89	357.43	7.09	-40.80
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CC2C3)=NO1	REAL300020302826	1	43	-1.0	-47.87	357.49	7.11	-40.76
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CC2C3)=NO1	REAL300020302827	0	40	-1.0	-48.37	335.88	6.32	-42.05
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CC2C3)=NO1	REAL300020302827	1	40	-1.0	-48.34	335.82	6.29	-42.05
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N2CC3CC2C3)=NO1	REAL300020302828	0	47	-1.0	-43.79	384.39	8.97	-34.82
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N2CC3CC2C3)=NO1	REAL300020302828	1	47	-1.0	-43.80	384.43	8.96	-34.84
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1(C)C	REAL300020302829	0	52	-1.0	-41.58	411.79	7.12	-34.46
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1(C)C	REAL300020302829	1	52	-1.0	-41.53	411.85	7.14	-34.39
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1(C)C	REAL300020302830	0	49	-1.0	-49.61	398.09	6.15	-43.46
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1(C)C	REAL300020302830	1	49	-1.0	-49.59	398.03	6.13	-43.46
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=NOC(C)=C3)C[C@H]12	REAL300020302831	0	53	-1.0	-46.16	421.68	7.34	-38.82
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=NOC(C)=C3)C[C@H]12	REAL300020302831	1	53	-1.0	-46.20	421.73	7.36	-38.84
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=NOC(C)=C3)C[C@H]12	REAL300020302832	0	50	-1.0	-50.37	395.34	6.62	-43.75
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=NOC(C)=C3)C[C@H]12	REAL300020302832	1	50	-1.0	-50.32	395.38	6.64	-43.68
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3=NOC(C)=C3)CC[C@H]12	REAL300020302833	0	53	-1.0	-50.97	425.79	7.79	-43.18
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3=NOC(C)=C3)CC[C@H]12	REAL300020302833	1	53	-1.0	-50.94	425.84	7.81	-43.13
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CC3=NOC(C)=C3)CC[C@H]12	REAL300020302834	0	50	-1.0	-52.64	404.32	6.99	-45.65
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CC3=NOC(C)=C3)CC[C@H]12	REAL300020302834	1	50	-1.0	-52.60	404.38	7.02	-45.58
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2NCC2=C(C)C=CO2)=NO1	REAL300020302835	0	45	-1.0	-44.13	391.71	8.37	-35.76
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2NCC2=C(C)C=CO2)=NO1	REAL300020302835	1	45	-1.0	-44.13	391.77	8.39	-35.74
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2NCC2=C(C)C=CO2)=NO1	REAL300020302836	0	42	-1.0	-45.85	370.27	7.61	-38.24
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2NCC2=C(C)C=CO2)=NO1	REAL300020302836	1	42	-1.0	-45.78	370.21	7.59	-38.19
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3CC2CO3)=NO1	REAL300020302837	0	47	-1.0	-42.42	377.32	5.93	-36.49
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3CC2CO3)=NO1	REAL300020302837	1	47	-1.0	-42.46	377.37	5.94	-36.52
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CC2CO3)=NO1	REAL300020302838	0	44	-1.0	-46.48	354.90	5.30	-41.18
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CC2CO3)=NO1	REAL300020302838	1	44	-1.0	-46.48	354.85	5.28	-41.20
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H](C)[C@@H](F)C2)=NO1	REAL300020302839	0	45	-1.0	-45.03	378.92	7.27	-37.76
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H](C)[C@@H](F)C2)=NO1	REAL300020302839	1	45	-1.0	-45.04	378.98	7.29	-37.75
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H](C)[C@@H](F)C2)=NO1	REAL300020302840	0	42	-1.0	-55.21	350.42	7.08	-48.13
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H](C)[C@@H](F)C2)=NO1	REAL300020302840	1	42	-1.0	-55.19	350.37	7.07	-48.12
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C#N)(C(N)=O)C2)=NO1	REAL300020302841	0	47	-1.0	-48.47	395.54	3.60	-44.87
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C#N)(C(N)=O)C2)=NO1	REAL300020302841	1	47	-1.0	-48.46	395.60	3.62	-44.84
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C#N)(C(N)=O)C2)=NO1	REAL300020302842	0	44	-1.0	-58.52	380.24	2.60	-55.92
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C#N)(C(N)=O)C2)=NO1	REAL300020302842	1	44	-1.0	-58.52	380.18	2.58	-55.94
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC34CCCC3(COC4)C2)=NO1	REAL300020302843	0	51	-1.0	-48.79	396.40	6.00	-42.79
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC34CCCC3(COC4)C2)=NO1	REAL300020302843	1	51	-1.0	-48.76	396.45	6.02	-42.74
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302844	0	47	-1.0	-48.28	393.14	7.43	-40.85
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302844	1	47	-1.0	-48.24	393.19	7.44	-40.80
C#C[C@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302845	0	44	-1.0	-46.31	361.34	7.68	-38.63
C#C[C@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302845	1	44	-1.0	-46.26	361.29	7.66	-38.60
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302846	0	48	-1.0	-54.00	397.23	7.89	-46.11
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302846	1	48	-1.0	-54.00	397.17	7.87	-46.13
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCCS(C)(=O)=O)=NO1	REAL300020302847	0	47	-1.0	-54.89	412.46	3.55	-51.34
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCCS(C)(=O)=O)=NO1	REAL300020302847	1	47	-1.0	-54.92	412.52	3.57	-51.35
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCC(F)F)=NO1	REAL300020302848	0	44	-1.0	-49.33	377.58	7.14	-42.19
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCC(F)F)=NO1	REAL300020302848	1	44	-1.0	-49.33	377.64	7.16	-42.17
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCC(F)F)=NO1	REAL300020302849	0	41	-1.0	-47.66	361.55	6.28	-41.38
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCC(F)F)=NO1	REAL300020302849	1	41	-1.0	-47.71	361.49	6.26	-41.45
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CC(F)C2)=NO1	REAL300020302850	0	48	-1.0	-50.19	395.96	8.16	-42.03
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CC(F)C2)=NO1	REAL300020302850	1	48	-1.0	-50.21	396.01	8.17	-42.04
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CC(F)C2)=NO1	REAL300020302851	0	45	-1.0	-44.02	376.60	7.32	-36.70
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CC(F)C2)=NO1	REAL300020302851	1	45	-1.0	-44.01	376.55	7.30	-36.71
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302852	0	47	-1.0	-42.15	406.99	6.33	-35.82
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302852	1	47	-1.0	-42.17	407.05	6.35	-35.82
C#CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302853	0	44	-1.0	-45.98	380.26	5.60	-40.38
C#CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302853	1	44	-1.0	-45.99	380.21	5.58	-40.41
COCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302854	0	52	-1.0	-49.16	414.14	6.48	-42.68
COCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302854	1	52	-1.0	-49.12	414.20	6.49	-42.63
COCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302855	0	49	-1.0	-47.42	404.51	6.75	-40.67
COCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302855	1	49	-1.0	-47.46	404.46	6.74	-40.72
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(CC2=CC=NN2C)C2CC2)=NO1	REAL300020302856	0	49	-1.0	-48.36	399.35	6.92	-41.44
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(CC2=CC=NN2C)C2CC2)=NO1	REAL300020302856	1	49	-1.0	-48.38	399.30	6.89	-41.49
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3=C(C=NO3)C2)=NO1	REAL300020302857	0	45	-1.0	-41.56	386.29	7.14	-34.42
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3=C(C=NO3)C2)=NO1	REAL300020302857	1	45	-1.0	-41.55	386.35	7.15	-34.40
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=C(C=NO3)C2)=NO1	REAL300020302858	0	42	-1.0	-49.07	352.27	5.49	-43.58
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=C(C=NO3)C2)=NO1	REAL300020302858	1	42	-1.0	-49.09	352.23	5.47	-43.62
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3CC[C@@](C)(C2)C3(C)C)=NO1	REAL300020302859	0	55	-1.0	-43.86	414.61	9.37	-34.49
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3CC[C@@](C)(C2)C3(C)C)=NO1	REAL300020302859	1	55	-1.0	-43.85	414.66	9.39	-34.46
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CCCCCC3C2)=NO1	REAL300020302860	0	55	-1.0	-43.78	422.73	9.23	-34.55
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CCCCCC3C2)=NO1	REAL300020302860	1	55	-1.0	-43.82	422.79	9.25	-34.57
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CC(F)(F)C2)=NO1	REAL300020302861	0	48	-1.0	-42.04	408.37	8.13	-33.91
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CC(F)(F)C2)=NO1	REAL300020302861	1	48	-1.0	-42.06	408.43	8.15	-33.91
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CC(F)(F)C2)=NO1	REAL300020302862	0	45	-1.0	-47.24	381.69	7.53	-39.71
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CC(F)(F)C2)=NO1	REAL300020302862	1	45	-1.0	-47.27	381.75	7.56	-39.71
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCC(=O)NC3C2)=NO1	REAL300020302863	0	50	-1.0	-53.05	399.38	5.05	-48.00
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCC(=O)NC3C2)=NO1	REAL300020302863	1	50	-1.0	-53.05	399.44	5.06	-47.99
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCC(=O)NC3C2)=NO1	REAL300020302864	0	47	-1.0	-56.16	380.26	4.61	-51.55
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCC(=O)NC3C2)=NO1	REAL300020302864	1	47	-1.0	-56.12	380.19	4.60	-51.52
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(F)(F)C(C#N)C2)=NO1	REAL300020302865	0	43	-1.0	-50.08	381.98	6.84	-43.24
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(F)(F)C(C#N)C2)=NO1	REAL300020302865	1	43	-1.0	-50.08	382.04	6.86	-43.22
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@H]3CCNC(=O)[C@H]3C2)=NO1	REAL300020302866	0	50	-1.0	-55.38	398.83	4.98	-50.40
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@H]3CCNC(=O)[C@H]3C2)=NO1	REAL300020302866	1	50	-1.0	-55.40	398.88	5.01	-50.39
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3OC(=O)OC3C2)=NO1	REAL300020302867	0	44	-1.0	-44.19	378.34	6.16	-38.03
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3OC(=O)OC3C2)=NO1	REAL300020302867	1	44	-1.0	-44.21	378.38	6.18	-38.03
CCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302868	0	54	-1.0	-46.78	433.36	9.34	-37.44
CCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302868	1	54	-1.0	-46.75	433.42	9.35	-37.40
CCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302869	0	51	-1.0	-44.20	408.70	8.58	-35.62
CCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302869	1	51	-1.0	-44.20	408.74	8.61	-35.59
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3=CON=C3C2)=NO1	REAL300020302870	0	42	-1.0	-43.13	358.42	5.89	-37.24
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3=CON=C3C2)=NO1	REAL300020302870	1	42	-1.0	-43.09	358.47	5.91	-37.18
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CON=C3C2)=NO1	REAL300020302871	0	39	-1.0	-47.34	335.44	4.92	-42.42
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CON=C3C2)=NO1	REAL300020302871	1	39	-1.0	-47.31	335.39	4.89	-42.42
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)CC(C(N)=O)C2)=NO1	REAL300020302872	0	49	-1.0	-49.73	407.82	3.76	-45.97
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)CC(C(N)=O)C2)=NO1	REAL300020302872	1	49	-1.0	-49.73	407.77	3.74	-45.99
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]3CC[C@@H]32)=NO1	REAL300020302873	0	49	-1.0	-48.88	391.94	8.30	-40.58
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]3CC[C@@H]32)=NO1	REAL300020302873	1	49	-1.0	-48.88	392.00	8.31	-40.57
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]3CC[C@@H]32)=NO1	REAL300020302874	0	46	-1.0	-45.51	356.51	8.07	-37.44
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]3CC[C@@H]32)=NO1	REAL300020302874	1	46	-1.0	-45.58	356.46	8.05	-37.53
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C3CCC2(C)CC3)=NO1	REAL300020302875	0	49	-1.0	-49.60	384.66	7.67	-41.93
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C3CCC2(C)CC3)=NO1	REAL300020302875	1	49	-1.0	-49.59	384.72	7.68	-41.91
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C3CCC2(C)CC3)=NO1	REAL300020302876	0	46	-1.0	-56.00	356.90	7.40	-48.60
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C3CCC2(C)CC3)=NO1	REAL300020302876	1	46	-1.0	-56.01	356.86	7.37	-48.64
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[C@@H](C)[C@@H](F)C2)=NO1	REAL300020302877	0	48	-1.0	-47.98	386.80	7.96	-40.02
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[C@@H](C)[C@@H](F)C2)=NO1	REAL300020302877	1	48	-1.0	-48.02	386.86	7.97	-40.05
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@@H](C)[C@@H](F)C2)=NO1	REAL300020302878	0	45	-1.0	-53.07	369.82	7.95	-45.12
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@@H](C)[C@@H](F)C2)=NO1	REAL300020302878	1	45	-1.0	-53.08	369.77	7.93	-45.15
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCC(=O)N3)CC2)=NO1	REAL300020302879	0	50	-1.0	-50.35	410.46	5.13	-45.22
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCC(=O)N3)CC2)=NO1	REAL300020302879	1	50	-1.0	-50.36	410.51	5.15	-45.21
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CC(F)F)CC2)=NO1	REAL300020302880	0	48	-1.0	-45.70	399.50	8.07	-37.63
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CC(F)F)CC2)=NO1	REAL300020302880	1	48	-1.0	-45.71	399.54	8.09	-37.62
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[C@@H](C)[C@@H](O)C2)=NO1	REAL300020302881	0	49	-1.0	-42.61	402.97	4.82	-37.79
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[C@@H](C)[C@@H](O)C2)=NO1	REAL300020302881	1	49	-1.0	-42.60	403.02	4.84	-37.76
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@@H](C)[C@@H](O)C2)=NO1	REAL300020302882	0	46	-1.0	-47.13	377.24	4.26	-42.87
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@@H](C)[C@@H](O)C2)=NO1	REAL300020302882	1	46	-1.0	-47.10	377.19	4.23	-42.87
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(O)CC3(CCCC3)C2)=NO1	REAL300020302883	0	53	-1.0	-44.14	423.12	5.62	-38.52
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(O)CC3(CCCC3)C2)=NO1	REAL300020302883	1	53	-1.0	-44.14	423.18	5.65	-38.49
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C(C)C1CCC1	REAL300020302884	0	54	-1.0	-40.58	420.92	7.85	-32.73
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C(C)C1CCC1	REAL300020302884	1	54	-1.0	-40.53	420.97	7.86	-32.67
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C(C)C1CCC1	REAL300020302885	0	51	-1.0	-48.45	397.61	8.63	-39.82
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C(C)C1CCC1	REAL300020302885	1	51	-1.0	-48.39	397.55	8.61	-39.78
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(Cl)=C(Cl)C2)=NO1	REAL300020302886	0	40	-1.0	-44.17	362.28	7.30	-36.87
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(Cl)=C(Cl)C2)=NO1	REAL300020302886	1	40	-1.0	-44.20	362.34	7.32	-36.88
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302887	0	48	-1.0	-49.30	406.83	9.29	-40.01
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302887	1	48	-1.0	-49.32	406.78	9.25	-40.07
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC23CC3)=NO1	REAL300020302888	0	46	-1.0	-48.81	382.73	7.08	-41.73
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC23CC3)=NO1	REAL300020302888	1	46	-1.0	-48.82	382.78	7.10	-41.72
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC23CC3)=NO1	REAL300020302889	0	43	-1.0	-46.39	362.33	6.29	-40.10
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC23CC3)=NO1	REAL300020302889	1	43	-1.0	-46.39	362.27	6.26	-40.13
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCSC3)C2)=NO1	REAL300020302890	0	47	-1.0	-47.58	382.65	7.75	-39.83
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCSC3)C2)=NO1	REAL300020302890	1	47	-1.0	-47.55	382.69	7.76	-39.79
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(CCC(=O)N3)C2)=NO1	REAL300020302891	0	50	-1.0	-47.67	406.39	4.81	-42.86
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(CCC(=O)N3)C2)=NO1	REAL300020302891	1	50	-1.0	-47.71	406.45	4.83	-42.88
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CCC(=O)N3)C2)=NO1	REAL300020302892	0	47	-1.0	-49.15	375.58	4.44	-44.71
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CCC(=O)N3)C2)=NO1	REAL300020302892	1	47	-1.0	-49.15	375.53	4.42	-44.73
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)=NO1	REAL300020302893	0	48	-1.0	-46.73	400.70	7.91	-38.82
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)=NO1	REAL300020302893	1	48	-1.0	-46.73	400.76	7.93	-38.80
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3OCO[C@H]3C2)=NO1	REAL300020302894	0	45	-1.0	-45.12	374.26	4.47	-40.65
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3OCO[C@H]3C2)=NO1	REAL300020302894	1	45	-1.0	-45.13	374.32	4.48	-40.65
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3OCO[C@H]3C2)=NO1	REAL300020302895	0	42	-1.0	-46.69	352.91	3.66	-43.03
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3OCO[C@H]3C2)=NO1	REAL300020302895	1	42	-1.0	-46.71	352.85	3.63	-43.08
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2=NN=NN2C)=NO1	REAL300020302896	0	46	-1.0	-45.17	400.28	4.95	-40.22
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2=NN=NN2C)=NO1	REAL300020302896	1	46	-1.0	-45.18	400.34	4.97	-40.21
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2=NN=NN2C)=NO1	REAL300020302897	0	43	-1.0	-52.95	359.80	3.95	-49.00
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2=NN=NN2C)=NO1	REAL300020302897	1	43	-1.0	-52.93	359.74	3.93	-49.00
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CCOC2CC2)=NO1	REAL300020302898	0	49	-1.0	-49.55	395.80	6.95	-42.60
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CCOC2CC2)=NO1	REAL300020302898	1	49	-1.0	-49.54	395.86	6.97	-42.57
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCOC2CC2)=NO1	REAL300020302899	0	46	-1.0	-44.34	388.09	6.16	-38.18
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCOC2CC2)=NO1	REAL300020302899	1	46	-1.0	-44.37	388.04	6.14	-38.23
COC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=C1	REAL300020302900	0	49	-1.0	-49.08	409.52	8.82	-40.26
COC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=C1	REAL300020302900	1	49	-1.0	-49.11	409.57	8.84	-40.27
COC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=C1	REAL300020302901	0	46	-1.0	-47.54	370.26	9.23	-38.31
COC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=C1	REAL300020302901	1	46	-1.0	-47.51	370.23	9.21	-38.30
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(CC#N)C2)=NO1	REAL300020302902	0	46	-1.0	-54.14	388.05	7.76	-46.38
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(CC#N)C2)=NO1	REAL300020302902	1	46	-1.0	-54.13	388.10	7.77	-46.36
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CC#N)C2)=NO1	REAL300020302903	0	43	-1.0	-54.01	366.58	7.00	-47.01
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CC#N)C2)=NO1	REAL300020302903	1	43	-1.0	-54.01	366.52	6.98	-47.03
CCCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302904	0	53	-1.0	-48.93	422.09	9.55	-39.38
CCCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302904	1	53	-1.0	-48.98	422.15	9.57	-39.41
CCCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302905	0	50	-1.0	-46.79	406.43	8.71	-38.08
CCCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302905	1	50	-1.0	-46.80	406.37	8.69	-38.11
C#CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302906	0	51	-1.0	-51.85	432.48	8.01	-43.84
C#CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302906	1	51	-1.0	-51.87	432.54	8.03	-43.84
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302907	0	48	-1.0	-58.39	404.40	7.76	-50.63
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302907	1	48	-1.0	-58.42	404.45	7.77	-50.65
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CCSCC2)=NO1	REAL300020302908	0	49	-1.0	-41.42	395.26	8.40	-33.02
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CCSCC2)=NO1	REAL300020302908	1	49	-1.0	-41.45	395.32	8.42	-33.03
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CCSCC2)=NO1	REAL300020302909	0	46	-1.0	-46.70	382.58	7.45	-39.25
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CCSCC2)=NO1	REAL300020302909	1	46	-1.0	-46.79	382.52	7.43	-39.36
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1=O	REAL300020302910	0	48	-1.0	-54.65	398.65	6.74	-47.91
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1=O	REAL300020302910	1	48	-1.0	-54.65	398.71	6.76	-47.89
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1=O	REAL300020302911	0	45	-1.0	-47.53	383.84	5.99	-41.54
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1=O	REAL300020302911	1	45	-1.0	-47.50	383.79	5.97	-41.53
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302912	0	46	-1.0	-48.77	377.28	5.43	-43.34
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302912	1	46	-1.0	-48.77	377.34	5.45	-43.32
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302913	0	43	-1.0	-43.32	348.17	5.25	-38.07
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302913	1	43	-1.0	-43.34	348.12	5.25	-38.09
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3=CC=C(C)C=C3C2)=NO1	REAL300020302914	0	49	-1.0	-43.11	405.60	9.16	-33.95
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3=CC=C(C)C=C3C2)=NO1	REAL300020302914	1	49	-1.0	-43.14	405.65	9.17	-33.97
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=C(C)C=C3C2)=NO1	REAL300020302915	0	46	-1.0	-54.00	377.78	9.26	-44.74
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=C(C)C=C3C2)=NO1	REAL300020302915	1	46	-1.0	-53.92	377.72	9.25	-44.67
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3=CC=NN3CC2C)=NO1	REAL300020302916	0	49	-1.0	-53.29	391.79	6.45	-46.84
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3=CC=NN3CC2C)=NO1	REAL300020302916	1	49	-1.0	-53.31	391.84	6.47	-46.84
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=CC=NN3CC2C)=NO1	REAL300020302917	0	46	-1.0	-58.49	373.04	6.10	-52.39
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=CC=NN3CC2C)=NO1	REAL300020302917	1	46	-1.0	-58.51	373.02	6.09	-52.42
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(CC(F)F)C2)=NO1	REAL300020302918	0	48	-1.0	-49.30	385.46	7.39	-41.91
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(CC(F)F)C2)=NO1	REAL300020302918	1	48	-1.0	-49.29	385.52	7.41	-41.88
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302919	0	52	-1.0	-42.37	420.34	7.22	-35.15
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302919	1	52	-1.0	-42.39	420.40	7.23	-35.16
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302920	0	49	-1.0	-51.25	376.38	7.09	-44.16
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302920	1	49	-1.0	-51.27	376.43	7.11	-44.16
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(CCC3)CC2)=NO1	REAL300020302921	0	55	-1.0	-40.10	423.58	9.53	-30.57
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(CCC3)CC2)=NO1	REAL300020302921	1	55	-1.0	-40.15	423.63	9.54	-30.61
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCC3)CC2)=NO1	REAL300020302922	0	52	-1.0	-43.35	403.63	8.74	-34.61
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCC3)CC2)=NO1	REAL300020302922	1	52	-1.0	-43.37	403.69	8.77	-34.60
COC1=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=CC=C1C	REAL300020302923	0	49	-1.0	-51.02	413.20	9.62	-41.40
COC1=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=CC=C1C	REAL300020302923	1	49	-1.0	-50.98	413.14	9.60	-41.38
COC1=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=CC=C1C	REAL300020302924	0	46	-1.0	-46.27	387.12	8.89	-37.38
COC1=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=CC=C1C	REAL300020302924	1	46	-1.0	-46.29	387.08	8.87	-37.42
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=C(C=CC(=O)N3)C2)=NO1	REAL300020302925	0	46	-1.0	-52.56	382.30	5.40	-47.16
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=C(C=CC(=O)N3)C2)=NO1	REAL300020302925	1	46	-1.0	-52.62	382.24	5.38	-47.24
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCCC(=O)NC3C2)=NO1	REAL300020302926	0	50	-1.0	-45.99	400.14	4.79	-41.20
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCCC(=O)NC3C2)=NO1	REAL300020302926	1	50	-1.0	-46.00	400.20	4.82	-41.18
CCC=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302927	0	49	-1.0	-42.35	399.93	8.47	-33.88
CCC=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302927	1	49	-1.0	-42.38	399.99	8.49	-33.89
CCC=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302928	0	46	-1.0	-49.50	376.92	7.49	-42.01
CCC=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302928	1	46	-1.0	-49.42	376.86	7.46	-41.96
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(CCO)CC2)=NO1	REAL300020302929	0	52	-1.0	-48.49	423.29	5.22	-43.27
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(CCO)CC2)=NO1	REAL300020302929	1	52	-1.0	-48.47	423.34	5.23	-43.24
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CCO)CC2)=NO1	REAL300020302930	0	49	-1.0	-45.64	398.62	4.48	-41.16
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CCO)CC2)=NO1	REAL300020302930	1	49	-1.0	-45.61	398.67	4.50	-41.11
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(CC(F)F)C2)=NO1	REAL300020302931	0	48	-1.0	-50.27	398.15	7.93	-42.34
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(CC(F)F)C2)=NO1	REAL300020302931	1	48	-1.0	-50.27	398.21	7.95	-42.32
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CC(F)F)C2)=NO1	REAL300020302932	0	45	-1.0	-50.82	376.64	7.15	-43.67
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CC(F)F)C2)=NO1	REAL300020302932	1	45	-1.0	-50.81	376.69	7.17	-43.64
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302933	0	55	0.0	-78.28	422.05	8.25	-70.03
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302933	1	55	0.0	-77.93	422.01	9.21	-68.72
C=CCN1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302933	1	54	-1.0	-41.68	418.12	7.26	-34.42
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302934	0	52	0.0	-73.11	400.55	7.46	-65.65
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020302934	1	52	0.0	-78.83	391.29	9.16	-69.67
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302934	1	52	0.0	-73.11	400.50	7.44	-65.67
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020302934	1	52	0.0	-78.81	391.25	9.16	-69.65
C#CCN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C=N1	REAL300020302935	0	44	-1.0	-59.39	386.53	8.97	-50.42
C#CCN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C=N1	REAL300020302935	1	44	-1.0	-59.40	386.47	8.95	-50.45
C#CCN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C=N1	REAL300020302936	0	41	-1.0	-52.69	367.53	8.09	-44.60
C#CCN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C=N1	REAL300020302936	1	41	-1.0	-52.66	367.49	8.08	-44.58
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3(CCCC3)CC2C)=NO1	REAL300020302937	0	55	-1.0	-48.54	429.57	9.42	-39.12
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3(CCCC3)CC2C)=NO1	REAL300020302937	1	55	-1.0	-48.59	429.63	9.43	-39.16
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3(CCCC3)CC2C)=NO1	REAL300020302938	0	52	-1.0	-49.28	408.20	8.64	-40.64
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3(CCCC3)CC2C)=NO1	REAL300020302938	1	52	-1.0	-49.31	408.26	8.67	-40.64
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CCOC1	REAL300020302939	0	49	-1.0	-50.14	372.28	5.76	-44.38
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CCOC1	REAL300020302939	1	49	-1.0	-50.13	372.33	5.77	-44.36
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1)C1CCOC1	REAL300020302940	0	46	-1.0	-50.07	358.10	4.85	-45.22
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1)C1CCOC1	REAL300020302940	1	46	-1.0	-50.07	358.06	4.82	-45.25
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(C)CCCC23)=NO1	REAL300020302941	0	55	-1.0	-49.39	413.70	9.80	-39.59
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(C)CCCC23)=NO1	REAL300020302941	1	55	-1.0	-49.38	413.75	9.81	-39.57
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(C)CCCC23)=NO1	REAL300020302942	0	52	-1.0	-54.20	383.28	9.77	-44.43
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(C)CCCC23)=NO1	REAL300020302942	1	52	-1.0	-54.21	383.25	9.76	-44.45
CCN(CCOCCOC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302943	0	52	-1.0	-47.39	430.66	4.93	-42.46
CCN(CCOCCOC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302943	1	52	-1.0	-47.43	430.70	4.95	-42.48
CCN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302944	0	54	-1.0	-44.61	421.98	6.99	-37.62
CCN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302944	1	54	-1.0	-44.55	422.02	7.01	-37.54
C=CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302945	0	49	-1.0	-48.75	394.81	8.42	-40.33
C=CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302945	1	49	-1.0	-48.74	394.87	8.43	-40.31
C=CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302946	0	46	-1.0	-43.82	385.41	7.71	-36.11
C=CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302946	1	46	-1.0	-43.81	385.35	7.69	-36.12
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CC(C)OC(C)C2)=NO1	REAL300020302947	0	52	-1.0	-52.41	387.35	7.20	-45.21
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CC(C)OC(C)C2)=NO1	REAL300020302947	1	52	-1.0	-52.41	387.40	7.20	-45.21
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(=O)NC3(CC3)C2)=NO1	REAL300020302948	0	47	-1.0	-42.44	401.95	4.71	-37.73
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(=O)NC3(CC3)C2)=NO1	REAL300020302948	1	47	-1.0	-42.48	402.01	4.72	-37.76
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(=O)NC3(CC3)C2)=NO1	REAL300020302949	0	44	-1.0	-45.44	368.47	3.84	-41.60
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(=O)NC3(CC3)C2)=NO1	REAL300020302949	1	44	-1.0	-45.45	368.42	3.82	-41.63
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCN(C3CC3)C(C)C2)=NO1	REAL300020302950	0	54	-1.0	-48.76	418.64	6.98	-41.78
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@H+](C3CC3)C(C)C2)=NO1	REAL300020302950	1	55	0.0	-74.52	420.92	9.10	-65.42
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[N@@H+](C3CC3)C(C)C2)=NO1	REAL300020302950	1	55	0.0	-73.19	429.26	9.40	-63.79
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCN(C3CC3)C(C)C2)=NO1	REAL300020302950	1	54	-1.0	-48.80	418.69	7.00	-41.80
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(C3CC3)C(C)C2)=NO1	REAL300020302951	0	51	-1.0	-43.86	402.48	6.36	-37.50
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@H+](C3CC3)C(C)C2)=NO1	REAL300020302951	1	52	0.0	-72.78	397.79	8.90	-63.88
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[N@@H+](C3CC3)C(C)C2)=NO1	REAL300020302951	1	52	0.0	-72.52	406.41	8.94	-63.58
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(C3CC3)C(C)C2)=NO1	REAL300020302951	1	51	-1.0	-43.86	402.54	6.39	-37.47
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H](C(F)(F)F)C[C@H]2C)=NO1	REAL300020302952	0	45	-1.0	-52.73	376.33	8.29	-44.44
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H](C(F)(F)F)C[C@H]2C)=NO1	REAL300020302952	1	45	-1.0	-52.75	376.38	8.31	-44.44
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)C(F)(F)CC2)=NO1	REAL300020302953	0	48	-1.0	-54.77	375.64	9.04	-45.73
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)C(F)(F)CC2)=NO1	REAL300020302953	1	48	-1.0	-54.75	375.69	9.06	-45.69
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(F)(F)C2C)=NO1	REAL300020302954	0	45	-1.0	-49.26	367.09	7.21	-42.05
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(F)(F)C2C)=NO1	REAL300020302954	1	45	-1.0	-49.25	367.15	7.23	-42.02
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(F)(F)C2C)=NO1	REAL300020302955	0	42	-1.0	-46.63	351.90	6.64	-39.99
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(F)(F)C2C)=NO1	REAL300020302955	1	42	-1.0	-46.62	351.85	6.62	-40.00
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCCCCCCC2)=NO1	REAL300020302956	0	57	-1.0	-45.56	433.56	9.81	-35.75
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCCCCCCC2)=NO1	REAL300020302956	1	57	-1.0	-45.54	433.62	9.83	-35.71
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(CCC3)C2)=NO1	REAL300020302957	0	52	-1.0	-49.08	406.08	8.93	-40.15
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(CCC3)C2)=NO1	REAL300020302957	1	52	-1.0	-49.05	406.13	8.94	-40.11
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCC3)C2)=NO1	REAL300020302958	0	49	-1.0	-53.63	375.67	8.90	-44.73
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCC3)C2)=NO1	REAL300020302958	1	49	-1.0	-53.64	375.62	8.89	-44.75
CCC1COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302959	0	52	-1.0	-41.21	417.21	7.49	-33.72
CCC1COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302959	1	52	-1.0	-41.26	417.27	7.50	-33.76
CCC1COCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302960	0	49	-1.0	-48.09	382.40	6.20	-41.89
CCC1COCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302960	1	49	-1.0	-48.09	382.35	6.17	-41.92
CC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302961	0	49	-1.0	-40.80	404.21	6.44	-34.36
CC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302961	1	49	-1.0	-40.79	404.27	6.46	-34.33
CC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020302962	0	46	-1.0	-44.29	380.82	5.75	-38.54
CC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020302962	1	46	-1.0	-44.28	380.77	5.74	-38.54
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC=CCC3(CCCC3)C2)=NO1	REAL300020302963	0	53	-1.0	-49.96	403.89	9.48	-40.48
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC=CCC3(CCCC3)C2)=NO1	REAL300020302963	1	53	-1.0	-49.99	403.83	9.46	-40.53
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CCC2=CC=C(F)C=C2)=NO1	REAL300020302964	0	48	-1.0	-48.74	415.21	9.11	-39.63
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CCC2=CC=C(F)C=C2)=NO1	REAL300020302964	1	48	-1.0	-48.75	415.15	9.09	-39.66
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCSC[C@H]2C)=NO1	REAL300020302965	0	46	-1.0	-46.98	376.05	5.91	-41.07
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCSC[C@H]2C)=NO1	REAL300020302965	1	46	-1.0	-46.95	376.11	5.92	-41.03
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCSC[C@H]2C)=NO1	REAL300020302966	0	43	-1.0	-42.42	369.47	5.88	-36.54
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCSC[C@H]2C)=NO1	REAL300020302966	1	43	-1.0	-42.41	369.41	5.86	-36.55
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCC3(CCCC3)C2)=NO1	REAL300020302967	0	55	-1.0	-44.12	417.39	9.82	-34.30
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCC3(CCCC3)C2)=NO1	REAL300020302967	1	55	-1.0	-44.12	417.44	9.84	-34.28
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCN(CC(F)F)CC2)=NO1	REAL300020302968	0	47	-1.0	-47.42	388.83	4.56	-42.86
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCN(CC(F)F)CC2)=NO1	REAL300020302968	1	47	-1.0	-47.43	388.89	4.59	-42.84
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CCCCCC3C2)=NO1	REAL300020302969	0	55	-1.0	-49.84	412.65	9.46	-40.38
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CCCCCC3C2)=NO1	REAL300020302969	1	55	-1.0	-49.81	412.70	9.48	-40.33
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCCCCC3C2)=NO1	REAL300020302970	0	52	-1.0	-46.13	392.04	8.60	-37.53
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCCCCC3C2)=NO1	REAL300020302970	1	52	-1.0	-46.09	392.08	8.63	-37.46
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2NC2=NN3CCOCC3=C2)=NO1	REAL300020302971	0	47	-1.0	-46.60	398.99	7.62	-38.98
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2NC2=NN3CCOCC3=C2)=NO1	REAL300020302971	1	47	-1.0	-46.60	399.05	7.64	-38.96
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2NC2=NN3CCOCC3=C2)=NO1	REAL300020302972	0	44	-1.0	-51.01	377.49	6.86	-44.15
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2NC2=NN3CCOCC3=C2)=NO1	REAL300020302972	1	44	-1.0	-51.02	377.43	6.83	-44.19
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C)(CO)CC2)=NO1	REAL300020302973	0	52	-1.0	-42.26	414.65	5.16	-37.10
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C)(CO)CC2)=NO1	REAL300020302973	1	52	-1.0	-42.22	414.70	5.17	-37.05
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C)(CO)CC2)=NO1	REAL300020302974	0	49	-1.0	-56.10	387.93	4.94	-51.16
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C)(CO)CC2)=NO1	REAL300020302974	1	49	-1.0	-56.08	387.98	4.96	-51.12
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H](C(N)=O)CC[C@H]2C)=NO1	REAL300020302975	0	49	-1.0	-51.49	395.64	3.72	-47.77
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H](C(N)=O)CC[C@H]2C)=NO1	REAL300020302975	1	49	-1.0	-51.52	395.61	3.71	-47.81
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC2CCCO2)=NO1	REAL300020302976	0	49	-1.0	-50.27	394.25	6.31	-43.96
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC2CCCO2)=NO1	REAL300020302976	1	49	-1.0	-50.23	394.31	6.32	-43.91
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC2CCCO2)=NO1	REAL300020302977	0	46	-1.0	-44.21	379.59	5.54	-38.67
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC2CCCO2)=NO1	REAL300020302977	1	46	-1.0	-44.21	379.54	5.52	-38.69
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302978	0	47	-1.0	-42.47	381.19	8.29	-34.18
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302978	1	47	-1.0	-42.44	381.24	8.30	-34.14
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020302979	0	44	-1.0	-51.03	367.46	7.30	-43.73
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020302979	1	44	-1.0	-51.05	367.41	7.28	-43.77
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOC(C3(O)CC3)C2)=NO1	REAL300020302980	0	48	-1.0	-47.58	405.08	3.08	-44.50
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOC(C3(O)CC3)C2)=NO1	REAL300020302980	1	48	-1.0	-47.58	405.14	3.11	-44.47
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3C[C@]3(C(F)F)C2)=NO1	REAL300020302981	0	46	-1.0	-40.91	382.68	8.21	-32.70
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3C[C@]3(C(F)F)C2)=NO1	REAL300020302981	1	46	-1.0	-40.89	382.74	8.23	-32.66
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3C[C@]3(C(F)F)C2)=NO1	REAL300020302982	0	43	-1.0	-44.44	364.23	7.54	-36.90
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3C[C@]3(C(F)F)C2)=NO1	REAL300020302982	1	43	-1.0	-44.49	364.29	7.56	-36.93
COC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1=NOC(C)=C1)C2	REAL300020302983	0	50	-1.0	-42.07	407.61	7.03	-35.04
COC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1=NOC(C)=C1)C2	REAL300020302983	1	50	-1.0	-42.07	407.67	7.04	-35.03
COC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=NOC(C)=C1)C2	REAL300020302984	0	47	-1.0	-47.00	385.51	6.26	-40.74
COC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=NOC(C)=C1)C2	REAL300020302984	1	47	-1.0	-47.01	385.45	6.22	-40.79
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CCCCCCC3C2)=NO1	REAL300020302985	0	55	-1.0	-46.01	408.23	9.21	-36.80
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CCCCCCC3C2)=NO1	REAL300020302985	1	55	-1.0	-46.03	408.28	9.23	-36.80
CCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302986	0	57	-1.0	-47.48	454.42	10.29	-37.19
CCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302986	1	57	-1.0	-47.47	454.48	10.30	-37.17
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302987	0	54	-1.0	-49.65	417.92	8.71	-40.94
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302987	1	54	-1.0	-49.64	417.97	8.73	-40.91
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(C2)OC[C@H]2C[C@H]23)=NO1	REAL300020302988	0	51	-1.0	-50.67	402.98	7.26	-43.41
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(C2)OC[C@H]2C[C@H]23)=NO1	REAL300020302988	1	51	-1.0	-50.63	403.04	7.28	-43.35
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(OCC3CC3)C2)=NO1	REAL300020302989	0	53	-1.0	-42.30	425.64	8.30	-34.00
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(OCC3CC3)C2)=NO1	REAL300020302989	1	53	-1.0	-42.31	425.70	8.31	-34.00
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(OCC3CC3)C2)=NO1	REAL300020302990	0	50	-1.0	-46.53	401.48	7.66	-38.87
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(OCC3CC3)C2)=NO1	REAL300020302990	1	50	-1.0	-46.53	401.53	7.67	-38.86
CCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302991	0	48	-1.0	-45.45	393.25	8.03	-37.42
CCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302991	1	48	-1.0	-45.46	393.31	8.04	-37.42
CCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020302992	0	45	-1.0	-50.57	368.30	6.95	-43.62
CCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020302992	1	45	-1.0	-50.56	368.24	6.93	-43.63
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CC(F)(F)C3C2)=NO1	REAL300020302993	0	46	-1.0	-49.11	386.01	7.92	-41.19
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CC(F)(F)C3C2)=NO1	REAL300020302993	1	46	-1.0	-49.11	386.07	7.94	-41.17
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CC(F)(F)C3C2)=NO1	REAL300020302994	0	43	-1.0	-44.81	357.65	7.26	-37.55
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CC(F)(F)C3C2)=NO1	REAL300020302994	1	43	-1.0	-44.84	357.70	7.28	-37.56
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(CCO3)C2)=NO1	REAL300020302995	0	50	-1.0	-42.83	409.47	6.49	-36.34
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(CCO3)C2)=NO1	REAL300020302995	1	50	-1.0	-42.83	409.52	6.50	-36.33
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCO3)C2)=NO1	REAL300020302996	0	47	-1.0	-51.14	376.12	5.68	-45.46
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCO3)C2)=NO1	REAL300020302996	1	47	-1.0	-51.13	376.07	5.66	-45.47
COC(=O)C12CC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CC1=NOC(C)=C1)C2	REAL300020302997	0	49	-1.0	-51.12	414.31	8.09	-43.03
COC(=O)C12CC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CC1=NOC(C)=C1)C2	REAL300020302997	1	49	-1.0	-51.17	414.36	8.10	-43.07
COC(=O)C12CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CC1=NOC(C)=C1)C2	REAL300020302998	0	46	-1.0	-45.65	387.29	7.57	-38.08
COC(=O)C12CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CC1=NOC(C)=C1)C2	REAL300020302998	1	46	-1.0	-45.60	387.35	7.60	-38.00
CCC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C=C1	REAL300020302999	0	51	-1.0	-42.77	427.03	10.96	-31.81
CCC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C=C1	REAL300020302999	1	51	-1.0	-42.74	427.09	10.97	-31.77
CCC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C=C1	REAL300020303000	0	48	-1.0	-52.48	406.40	10.19	-42.29
CCC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C=C1	REAL300020303000	1	48	-1.0	-52.46	406.35	10.17	-42.29
COC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=C1	REAL300020303001	0	49	-1.0	-48.95	404.18	7.45	-41.50
COC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=C1	REAL300020303001	1	49	-1.0	-48.95	404.12	7.43	-41.52
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C(C)(F)F)CC2)=NO1	REAL300020303002	0	48	-1.0	-47.32	396.57	8.11	-39.21
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C(C)(F)F)CC2)=NO1	REAL300020303002	1	48	-1.0	-47.35	396.60	8.13	-39.22
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C2CC3(CC3)C2)=NO1	REAL300020303003	0	49	-1.0	-49.13	397.95	8.63	-40.50
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C2CC3(CC3)C2)=NO1	REAL300020303003	1	49	-1.0	-49.16	398.00	8.65	-40.51
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C2CC3(CC3)C2)=NO1	REAL300020303004	0	46	-1.0	-50.25	376.61	7.87	-42.38
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C2CC3(CC3)C2)=NO1	REAL300020303004	1	46	-1.0	-50.26	376.55	7.85	-42.41
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC[C@H]1C	REAL300020303005	0	52	-1.0	-48.42	425.10	6.96	-41.46
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC[C@H]1C	REAL300020303005	1	52	-1.0	-48.46	425.16	6.98	-41.48
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC[C@H]1C	REAL300020303006	0	49	-1.0	-47.91	403.66	6.19	-41.72
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC[C@H]1C	REAL300020303006	1	49	-1.0	-47.88	403.60	6.16	-41.72
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C(C#N)C#N)CC2)=NO1	REAL300020303007	0	47	-1.0	-51.43	405.55	7.81	-43.62
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C(C#N)C#N)CC2)=NO1	REAL300020303007	1	47	-1.0	-51.45	405.58	7.83	-43.62
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3CCCC(C3)C2)=NO1	REAL300020303008	0	55	-1.0	-41.28	422.77	9.55	-31.73
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3CCCC(C3)C2)=NO1	REAL300020303008	1	55	-1.0	-41.32	422.83	9.56	-31.76
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CCCC(C3)C2)=NO1	REAL300020303009	0	52	-1.0	-45.55	384.16	10.84	-34.71
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CCCC(C3)C2)=NO1	REAL300020303009	1	52	-1.0	-45.54	384.21	10.85	-34.69
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C3=NOC=C3)C2)=NO1	REAL300020303010	0	48	-1.0	-53.49	389.04	6.64	-46.85
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C3=NOC=C3)C2)=NO1	REAL300020303010	1	48	-1.0	-53.46	389.10	6.65	-46.81
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=NOC=C3)C2)=NO1	REAL300020303011	0	45	-1.0	-54.42	378.00	7.17	-47.25
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=NOC=C3)C2)=NO1	REAL300020303011	1	45	-1.0	-54.42	377.95	7.15	-47.27
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C3=NOC=C3)C2)=NO1	REAL300020303012	0	48	-1.0	-53.49	389.04	6.64	-46.85
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C3=NOC=C3)C2)=NO1	REAL300020303012	1	48	-1.0	-53.46	389.10	6.65	-46.81
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=NOC=C3)C2)=NO1	REAL300020303013	0	45	-1.0	-54.42	378.00	7.17	-47.25
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=NOC=C3)C2)=NO1	REAL300020303013	1	45	-1.0	-54.42	377.95	7.15	-47.27
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]3C(=O)NC[C@@H]32)=NO1	REAL300020303014	0	50	-1.0	-48.79	397.80	4.48	-44.31
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]3C(=O)NC[C@@H]32)=NO1	REAL300020303014	1	50	-1.0	-48.86	397.86	4.49	-44.37
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]3C(=O)NC[C@@H]32)=NO1	REAL300020303015	0	47	-1.0	-46.09	381.27	3.68	-42.41
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]3C(=O)NC[C@@H]32)=NO1	REAL300020303015	1	47	-1.0	-46.09	381.23	3.65	-42.44
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(F)(F)CC2C)=NO1	REAL300020303016	0	45	-1.0	-39.85	372.96	7.57	-32.28
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(F)(F)CC2C)=NO1	REAL300020303016	1	45	-1.0	-39.82	373.02	7.58	-32.24
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(F)(F)CC2C)=NO1	REAL300020303017	0	42	-1.0	-45.95	359.30	6.61	-39.34
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(F)(F)CC2C)=NO1	REAL300020303017	1	42	-1.0	-45.99	359.24	6.59	-39.40
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=CC=NO3)CC2)=NO1	REAL300020303018	0	48	-1.0	-48.74	401.30	7.93	-40.81
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=CC=NO3)CC2)=NO1	REAL300020303018	1	48	-1.0	-48.75	401.36	7.95	-40.80
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020303019	0	54	-1.0	-49.92	424.01	8.66	-41.26
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020303019	1	54	-1.0	-49.91	424.06	8.68	-41.23
CCCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020303020	0	51	-1.0	-46.33	412.42	7.57	-38.76
CCCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020303020	1	51	-1.0	-46.31	412.36	7.55	-38.76
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CC4CC3C2C4)=NO1	REAL300020303021	0	50	-1.0	-43.42	392.97	9.09	-34.33
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CC4CC3C2C4)=NO1	REAL300020303021	1	50	-1.0	-43.45	393.03	9.10	-34.35
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CC4CC3C2C4)=NO1	REAL300020303022	0	47	-1.0	-47.56	366.67	8.38	-39.18
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CC4CC3C2C4)=NO1	REAL300020303022	1	47	-1.0	-47.54	366.63	8.36	-39.18
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]2C2=NN=C(C)O2)=NO1	REAL300020303023	0	47	-1.0	-55.78	394.89	2.62	-53.16
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]2C2=NN=C(C)O2)=NO1	REAL300020303023	1	47	-1.0	-55.80	394.85	2.60	-53.20
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020303024	0	47	-1.0	-48.81	388.23	9.81	-39.00
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020303024	1	47	-1.0	-48.85	388.18	9.78	-39.07
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020303025	0	48	-1.0	-45.55	405.97	7.20	-38.35
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020303025	1	48	-1.0	-45.55	406.02	7.22	-38.33
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(C)C(F)(F)C2)=NO1	REAL300020303026	0	45	-1.0	-46.33	377.41	7.05	-39.28
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(C)C(F)(F)C2)=NO1	REAL300020303026	1	45	-1.0	-46.35	377.46	7.06	-39.29
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(C)C(F)(F)C2)=NO1	REAL300020303027	0	42	-1.0	-51.03	346.88	6.99	-44.04
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(C)C(F)(F)C2)=NO1	REAL300020303027	1	42	-1.0	-51.01	346.92	7.01	-44.00
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(C=CCO3)CC2)=NO1	REAL300020303028	0	51	-1.0	-58.84	385.53	7.64	-51.20
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(C=CCO3)CC2)=NO1	REAL300020303028	1	51	-1.0	-58.82	385.58	7.66	-51.16
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(CCCO3)CC2)=NO1	REAL300020303029	0	53	-1.0	-46.15	402.07	8.06	-38.09
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(CCCO3)CC2)=NO1	REAL300020303029	1	53	-1.0	-46.17	402.12	8.08	-38.09
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(=O)N3CCCC3C2)=NO1	REAL300020303030	0	50	-1.0	-49.29	399.73	5.92	-43.37
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(=O)N3CCCC3C2)=NO1	REAL300020303030	1	50	-1.0	-49.30	399.78	5.93	-43.37
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(=O)N3CCCC3C2)=NO1	REAL300020303031	0	47	-1.0	-44.35	389.67	5.76	-38.59
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(=O)N3CCCC3C2)=NO1	REAL300020303031	1	47	-1.0	-44.41	389.62	5.75	-38.66
C=C1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020303032	0	46	-1.0	-40.83	383.19	7.62	-33.21
C=C1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020303032	1	46	-1.0	-40.81	383.25	7.64	-33.17
C=C1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020303033	0	43	-1.0	-50.18	357.74	7.01	-43.17
C=C1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020303033	1	43	-1.0	-50.18	357.68	6.98	-43.20
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@H]2C2=NN=C(C)O2)=NO1	REAL300020303034	0	47	-1.0	-53.64	399.61	2.37	-51.27
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@H]2C2=NN=C(C)O2)=NO1	REAL300020303034	1	47	-1.0	-53.68	399.55	2.34	-51.34
CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020303035	0	49	-1.0	-52.34	392.56	6.46	-45.88
CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020303035	1	49	-1.0	-52.36	392.62	6.47	-45.89
CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020303036	0	46	-1.0	-46.84	381.83	5.84	-41.00
CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020303036	1	46	-1.0	-46.89	381.77	5.81	-41.08
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)[C@H]2COC[C@H]21	REAL300020303037	0	48	-1.0	-48.13	388.51	4.32	-43.81
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)[C@H]2COC[C@H]21	REAL300020303037	1	48	-1.0	-48.12	388.56	4.34	-43.78
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(F)(F)CC(C)C2)=NO1	REAL300020303038	0	48	-1.0	-49.09	381.86	8.38	-40.71
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(F)(F)CC(C)C2)=NO1	REAL300020303038	1	48	-1.0	-49.10	381.90	8.40	-40.70
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=CC(C)=NO3)C2)=NO1	REAL300020303039	0	48	-1.0	-60.43	402.42	8.16	-52.27
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=CC(C)=NO3)C2)=NO1	REAL300020303039	1	48	-1.0	-60.42	402.47	8.17	-52.25
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)C(C)C2CCCO2)=NO1	REAL300020303040	0	52	-1.0	-51.14	402.72	7.04	-44.10
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)C(C)C2CCCO2)=NO1	REAL300020303040	1	52	-1.0	-51.14	402.78	7.06	-44.08
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)C(C)C2CCCO2)=NO1	REAL300020303041	0	49	-1.0	-48.19	391.08	6.07	-42.12
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)C(C)C2CCCO2)=NO1	REAL300020303041	1	49	-1.0	-48.20	391.02	6.04	-42.16
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[C@H]2C)=NO1	REAL300020303042	0	45	-1.0	-49.15	368.97	7.18	-41.97
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[C@H]2C)=NO1	REAL300020303042	1	45	-1.0	-49.17	369.03	7.19	-41.98
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@H]2C)=NO1	REAL300020303043	0	42	-1.0	-55.10	337.59	7.18	-47.92
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@H]2C)=NO1	REAL300020303043	1	42	-1.0	-55.12	337.55	7.18	-47.94
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N2CCC[C@H]2C)=NO1	REAL300020303044	0	49	-1.0	-50.70	383.49	8.48	-42.22
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N2CCC[C@H]2C)=NO1	REAL300020303044	1	49	-1.0	-50.66	383.50	8.48	-42.18
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC[C@H]1F	REAL300020303045	0	49	-1.0	-48.53	404.59	6.47	-42.06
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC[C@H]1F	REAL300020303045	1	49	-1.0	-48.49	404.64	6.49	-42.00
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC[C@H]1F	REAL300020303046	0	46	-1.0	-54.56	376.48	6.22	-48.34
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC[C@H]1F	REAL300020303046	1	46	-1.0	-54.57	376.53	6.24	-48.33
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020303047	0	49	-1.0	-57.24	397.06	5.04	-52.20
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020303047	1	49	-1.0	-57.24	397.12	5.05	-52.19
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020303048	0	46	-1.0	-61.32	380.85	4.01	-57.31
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020303048	1	46	-1.0	-61.32	380.80	3.99	-57.33
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCNS(=O)(=O)CC2)=NO1	REAL300020303049	0	44	-1.0	-57.22	366.56	1.77	-55.45
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCNS(=O)(=O)CC2)=NO1	REAL300020303049	1	44	-1.0	-57.20	366.61	1.79	-55.41
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3C(CC2)C3(F)F)=NO1	REAL300020303050	0	46	-1.0	-44.91	382.67	8.18	-36.73
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3C(CC2)C3(F)F)=NO1	REAL300020303050	1	46	-1.0	-44.94	382.71	8.19	-36.75
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3=NC=CC=C3C2C)=NO1	REAL300020303051	0	48	-1.0	-53.03	377.21	8.00	-45.03
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3=NC=CC=C3C2C)=NO1	REAL300020303051	1	48	-1.0	-52.97	377.15	7.98	-44.99
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCCCCCCC2)=NO1	REAL300020303052	0	57	-1.0	-47.47	428.02	10.40	-37.07
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCCCCCCC2)=NO1	REAL300020303052	1	57	-1.0	-47.51	428.08	10.41	-37.10
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCCCCCCC2)=NO1	REAL300020303053	0	54	-1.0	-46.72	411.87	9.55	-37.17
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCCCCCCC2)=NO1	REAL300020303053	1	54	-1.0	-46.69	411.93	9.57	-37.12
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC[C@@H]3CC[C@@]32C)=NO1	REAL300020303054	0	49	-1.0	-41.00	381.50	8.26	-32.74
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC[C@@H]3CC[C@@]32C)=NO1	REAL300020303054	1	49	-1.0	-41.01	381.56	8.28	-32.73
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@@H]3CC[C@@]32C)=NO1	REAL300020303055	0	46	-1.0	-49.78	369.67	7.24	-42.54
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@@H]3CC[C@@]32C)=NO1	REAL300020303055	1	46	-1.0	-49.77	369.61	7.21	-42.56
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCSC[C@@H]2C)=NO1	REAL300020303056	0	46	-1.0	-47.99	383.66	6.84	-41.15
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCSC[C@@H]2C)=NO1	REAL300020303056	1	46	-1.0	-47.95	383.72	6.85	-41.10
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCSC[C@@H]2C)=NO1	REAL300020303057	0	43	-1.0	-42.10	363.55	6.24	-35.86
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCSC[C@@H]2C)=NO1	REAL300020303057	1	43	-1.0	-42.11	363.49	6.22	-35.89
C#CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020303058	0	43	-1.0	-49.64	370.71	7.40	-42.24
C#CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020303058	1	43	-1.0	-49.68	370.77	7.42	-42.26
C#CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020303059	0	40	-1.0	-47.84	354.67	6.53	-41.31
C#CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020303059	1	40	-1.0	-47.81	354.61	6.51	-41.30
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CC1=NOC(C)=C1	REAL300020303060	0	47	-1.0	-48.86	404.26	9.40	-39.46
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CC1=NOC(C)=C1	REAL300020303060	1	47	-1.0	-48.88	404.30	9.39	-39.49
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CC2C(F)(F)C3)=NO1	REAL300020303061	0	46	-1.0	-47.20	375.56	6.65	-40.55
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CC2C(F)(F)C3)=NO1	REAL300020303061	1	46	-1.0	-47.24	375.61	6.67	-40.57
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CC2C(F)(F)C3)=NO1	REAL300020303062	0	43	-1.0	-57.13	354.14	5.84	-51.29
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CC2C(F)(F)C3)=NO1	REAL300020303062	1	43	-1.0	-57.12	354.20	5.87	-51.25
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N(C)CC23CCC(CC2)C3)=NO1	REAL300020303063	0	55	-1.0	-42.24	427.89	9.46	-32.78
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N(C)CC23CCC(CC2)C3)=NO1	REAL300020303063	1	55	-1.0	-42.28	427.95	9.47	-32.81
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)CC23CCC(CC2)C3)=NO1	REAL300020303064	0	52	-1.0	-46.95	408.69	8.98	-37.97
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)CC23CCC(CC2)C3)=NO1	REAL300020303064	1	52	-1.0	-46.94	408.74	9.01	-37.93
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC(C(C)(F)F)C2)=NO1	REAL300020303065	0	48	-1.0	-48.66	400.90	7.87	-40.79
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC(C(C)(F)F)C2)=NO1	REAL300020303065	1	48	-1.0	-48.66	400.96	7.89	-40.77
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(CCCF)CC2)=NO1	REAL300020303066	0	51	-1.0	-46.25	415.29	8.73	-37.52
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(CCCF)CC2)=NO1	REAL300020303066	1	51	-1.0	-46.23	415.34	8.76	-37.47
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(C(N)=O)CC2)=NO1	REAL300020303067	0	49	-1.0	-50.80	408.53	3.97	-46.83
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(C(N)=O)CC2)=NO1	REAL300020303067	1	49	-1.0	-50.83	408.59	3.99	-46.84
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C(N)=O)CC2)=NO1	REAL300020303068	0	46	-1.0	-47.18	383.91	3.25	-43.93
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C(N)=O)CC2)=NO1	REAL300020303068	1	46	-1.0	-47.17	383.87	3.22	-43.95
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC(F)(CO)CC2)=NO1	REAL300020303069	0	49	-1.0	-45.87	409.33	4.68	-41.19
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC(F)(CO)CC2)=NO1	REAL300020303069	1	49	-1.0	-45.89	409.38	4.69	-41.20
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(F)(CO)CC2)=NO1	REAL300020303070	0	46	-1.0	-48.43	387.83	3.89	-44.54
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(F)(CO)CC2)=NO1	REAL300020303070	1	46	-1.0	-48.43	387.88	3.92	-44.51
CCOC(=O)C1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020303071	0	49	-1.0	-52.21	407.60	6.86	-45.35
CCOC(=O)C1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020303071	1	49	-1.0	-52.24	407.55	6.83	-45.41
CO[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020303072	0	49	-1.0	-42.97	403.48	6.47	-36.50
CO[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020303072	1	49	-1.0	-42.99	403.54	6.48	-36.51
CO[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020303073	0	46	-1.0	-47.40	379.89	5.78	-41.62
CO[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020303073	1	46	-1.0	-47.36	379.84	5.76	-41.60
COC(=O)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020303074	0	49	-1.0	-42.69	419.30	7.80	-34.89
COC(=O)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020303074	1	49	-1.0	-42.71	419.36	7.82	-34.89
COC(=O)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CC1	REAL300020303075	0	46	-1.0	-48.52	385.73	6.96	-41.56
COC(=O)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CC1	REAL300020303075	1	46	-1.0	-48.51	385.67	6.94	-41.57
CC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020303076	0	49	-1.0	-47.25	390.01	5.86	-41.39
CC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020303076	1	49	-1.0	-47.27	390.06	5.88	-41.39
CC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020303077	0	46	-1.0	-47.28	368.52	5.10	-42.18
CC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020303077	1	46	-1.0	-47.27	368.47	5.08	-42.19
CO[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020303078	0	49	-1.0	-41.27	403.96	6.27	-35.00
CO[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020303078	1	49	-1.0	-41.29	404.02	6.28	-35.01
CO[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020303079	0	46	-1.0	-52.98	359.32	5.68	-47.30
CO[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020303079	1	46	-1.0	-53.01	359.27	5.67	-47.34
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020303080	0	50	-1.0	-41.61	417.05	4.87	-36.74
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020303080	1	50	-1.0	-41.59	417.10	4.88	-36.71
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020303081	0	47	-1.0	-44.25	397.44	4.13	-40.12
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020303081	1	47	-1.0	-44.24	397.50	4.16	-40.08
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020303082	0	50	-1.0	-42.61	418.94	4.91	-37.70
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020303082	1	50	-1.0	-42.61	419.00	4.93	-37.68
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)CCO1	REAL300020303083	0	47	-1.0	-44.31	396.76	4.33	-39.98
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)CCO1	REAL300020303083	1	47	-1.0	-44.30	396.82	4.34	-39.96
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCCC3(C=CCO3)C2)=NO1	REAL300020303084	0	51	-1.0	-48.22	414.10	7.42	-40.80
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCCC3(C=CCO3)C2)=NO1	REAL300020303084	1	51	-1.0	-48.17	414.16	7.44	-40.73
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC3(C=CCO3)C2)=NO1	REAL300020303085	0	48	-1.0	-47.87	398.20	6.55	-41.32
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC3(C=CCO3)C2)=NO1	REAL300020303085	1	48	-1.0	-47.83	398.14	6.52	-41.31
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC=CC2(C)C)=NO1	REAL300020303086	0	46	-1.0	-40.66	379.77	6.30	-34.36
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC=CC2(C)C)=NO1	REAL300020303086	1	46	-1.0	-40.67	379.83	6.31	-34.36
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC=CC2(C)C)=NO1	REAL300020303087	0	43	-1.0	-52.85	345.41	6.96	-45.89
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC=CC2(C)C)=NO1	REAL300020303087	1	43	-1.0	-52.82	345.40	6.96	-45.86
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC[C@H]3NC(=O)O[C@H]3C2)=NO1	REAL300020303088	0	45	-1.0	-64.61	361.74	3.42	-61.19
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC[C@H]3NC(=O)O[C@H]3C2)=NO1	REAL300020303088	1	45	-1.0	-64.57	361.69	3.42	-61.15
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]2C)=NO1	REAL300020303089	0	45	-1.0	-47.83	367.94	6.31	-41.52
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]2C)=NO1	REAL300020303089	1	45	-1.0	-47.83	368.00	6.33	-41.50
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]2C)=NO1	REAL300020303090	0	42	-1.0	-47.60	343.14	6.71	-40.89
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]2C)=NO1	REAL300020303090	1	42	-1.0	-47.58	343.10	6.69	-40.89
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N2CCC[C@@H]2C)=NO1	REAL300020303091	0	49	-1.0	-47.52	395.72	8.43	-39.09
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N2CCC[C@@H]2C)=NO1	REAL300020303091	1	49	-1.0	-47.49	395.74	8.39	-39.10
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]2C)=NO1	REAL300020303092	0	45	-1.0	-47.83	367.94	6.31	-41.52
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]2C)=NO1	REAL300020303092	1	45	-1.0	-47.83	368.00	6.33	-41.50
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@@H]2C)=NO1	REAL300020303093	0	42	-1.0	-47.60	343.14	6.71	-40.89
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@@H]2C)=NO1	REAL300020303093	1	42	-1.0	-47.58	343.10	6.69	-40.89
CC1=CC(CN2C(C3=CC=C(C4=N[N-]N=N4)C=C3)=NN=C2N2CCC[C@@H]2C)=NO1	REAL300020303094	0	49	-1.0	-47.52	395.72	8.43	-39.09
CC1=CC(CN2C(C3=CC=C(C4=NN=N[N-]4)C=C3)=NN=C2N2CCC[C@@H]2C)=NO1	REAL300020303094	1	49	-1.0	-47.49	395.74	8.39	-39.10
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(=O)N3CCCCC3C2)=NO1	REAL300020303095	0	50	-1.0	-51.41	402.42	6.83	-44.58
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(=O)N3CCCCC3C2)=NO1	REAL300020303095	1	50	-1.0	-51.44	402.37	6.81	-44.63
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(C=CCO3)CC2)=NO1	REAL300020303096	0	51	-1.0	-43.65	417.57	7.52	-36.13
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(C=CCO3)CC2)=NO1	REAL300020303096	1	51	-1.0	-43.65	417.62	7.53	-36.12
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(C=CCO3)CC2)=NO1	REAL300020303097	0	48	-1.0	-46.89	398.02	6.58	-40.31
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(C=CCO3)CC2)=NO1	REAL300020303097	1	48	-1.0	-46.92	398.08	6.60	-40.32
CCN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020303098	0	52	-1.0	-44.63	416.62	6.77	-37.86
CCN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020303098	1	52	-1.0	-44.66	416.67	6.80	-37.86
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(C2)CCCCO3)=NO1	REAL300020303099	0	53	-1.0	-42.89	407.29	7.53	-35.36
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(C2)CCCCO3)=NO1	REAL300020303099	1	53	-1.0	-42.92	407.35	7.55	-35.37
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(C2)CCCCO3)=NO1	REAL300020303100	0	50	-1.0	-46.88	387.95	6.84	-40.04
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(C2)CCCCO3)=NO1	REAL300020303100	1	50	-1.0	-46.88	388.01	6.86	-40.02
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC[C@@]3(CO)CCC[C@@H]23)=NO1	REAL300020303101	0	53	-1.0	-54.84	392.16	5.21	-49.63
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC[C@@]3(CO)CCC[C@@H]23)=NO1	REAL300020303101	1	53	-1.0	-54.85	392.21	5.21	-49.64
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=N1	REAL300020303102	0	48	-1.0	-45.26	407.37	9.97	-35.29
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=N1	REAL300020303102	1	48	-1.0	-45.22	407.31	9.96	-35.26
CCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)=N1	REAL300020303103	0	45	-1.0	-50.77	387.89	9.26	-41.51
CCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)=N1	REAL300020303103	1	45	-1.0	-50.72	387.82	9.23	-41.49
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC(C3=NOCC3)CC2)=NO1	REAL300020303104	0	50	-1.0	-51.20	412.46	7.02	-44.18
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC(C3=NOCC3)CC2)=NO1	REAL300020303104	1	50	-1.0	-51.26	412.50	7.05	-44.21
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)=NO1	REAL300020303105	0	47	-1.0	-50.96	375.74	7.46	-43.50
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)=NO1	REAL300020303105	1	47	-1.0	-50.94	375.80	7.48	-43.46
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)=NO1	REAL300020303106	0	44	-1.0	-47.22	349.84	7.42	-39.80
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)=NO1	REAL300020303106	1	44	-1.0	-47.19	349.80	7.40	-39.79
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3(C2)CC=CCO3)=NO1	REAL300020303107	0	51	-1.0	-43.86	406.64	7.03	-36.83
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3(C2)CC=CCO3)=NO1	REAL300020303107	1	51	-1.0	-43.78	406.70	7.05	-36.73
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(C2)CC=CCO3)=NO1	REAL300020303108	0	48	-1.0	-47.96	383.15	6.47	-41.49
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(C2)CC=CCO3)=NO1	REAL300020303108	1	48	-1.0	-47.89	383.11	6.46	-41.43
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCOCCOCC2)=NO1	REAL300020303109	0	50	-1.0	-48.56	385.92	4.56	-44.00
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCOCCOCC2)=NO1	REAL300020303109	1	50	-1.0	-48.57	385.98	4.57	-44.00
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCOCCOCC2)=NO1	REAL300020303110	0	47	-1.0	-43.90	358.90	3.81	-40.09
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCOCCOCC2)=NO1	REAL300020303110	1	47	-1.0	-43.89	358.95	3.83	-40.06
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC=CCC3(CC3)C2)=NO1	REAL300020303111	0	50	-1.0	-48.89	401.22	9.32	-39.57
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC=CCC3(CC3)C2)=NO1	REAL300020303111	1	50	-1.0	-48.93	401.28	9.34	-39.59
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC=CCC3(CC3)C2)=NO1	REAL300020303112	0	47	-1.0	-52.72	383.21	8.77	-43.95
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC=CCC3(CC3)C2)=NO1	REAL300020303112	1	47	-1.0	-52.72	383.17	8.75	-43.97
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N(C)[C@@H]2C[C@H]2C2=CC=CC=C2)=NO1	REAL300020303113	0	49	-1.0	-48.42	415.82	9.67	-38.75
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N(C)[C@@H]2C[C@H]2C2=CC=CC=C2)=NO1	REAL300020303113	1	49	-1.0	-48.44	415.77	9.64	-38.80
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CCC3CCCCC32)=NO1	REAL300020303114	0	52	-1.0	-50.24	410.54	8.86	-41.38
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CCC3CCCCC32)=NO1	REAL300020303114	1	52	-1.0	-50.22	410.60	8.87	-41.35
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3CCCCC32)=NO1	REAL300020303115	0	49	-1.0	-50.27	389.09	8.10	-42.17
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3CCCCC32)=NO1	REAL300020303115	1	49	-1.0	-50.31	389.03	8.07	-42.24
CCC(O)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020303116	0	51	-1.0	-42.85	413.93	4.42	-38.43
CCC(O)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020303116	1	51	-1.0	-42.81	413.98	4.43	-38.38
CCC(O)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020303117	0	48	-1.0	-45.37	388.42	3.71	-41.66
CCC(O)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020303117	1	48	-1.0	-45.38	388.39	3.68	-41.70
CCN(CCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020303118	0	51	-1.0	-45.47	415.39	4.33	-41.14
CCN(CCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020303118	1	51	-1.0	-45.51	415.45	4.34	-41.17
CCN(CCCCO)C1=NN=C(CC2=NN=N[N-]2)N1CC1=NOC(C)=C1	REAL300020303119	0	48	-1.0	-48.76	390.01	3.62	-45.14
CCN(CCCCO)C1=NN=C(CC2=N[N-]N=N2)N1CC1=NOC(C)=C1	REAL300020303119	1	48	-1.0	-48.82	389.94	3.60	-45.22
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC(=O)N(C)[C@@H]3C[C@@H]32)=NO1	REAL300020303120	0	47	-1.0	-47.86	381.08	6.29	-41.57
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC(=O)N(C)[C@@H]3C[C@@H]32)=NO1	REAL300020303120	1	47	-1.0	-47.83	381.14	6.30	-41.53
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC(=O)N(C)[C@@H]3C[C@@H]32)=NO1	REAL300020303121	0	44	-1.0	-57.37	365.88	4.29	-53.08
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC(=O)N(C)[C@@H]3C[C@@H]32)=NO1	REAL300020303121	1	44	-1.0	-57.38	365.83	4.28	-53.10
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CC(C)=NO3)CC2)=NO1	REAL300020303122	0	50	-1.0	-63.51	394.91	7.46	-56.05
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CC(C)=NO3)CC2)=NO1	REAL300020303122	1	50	-1.0	-63.54	394.95	7.47	-56.07
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3=C(C2)C(=O)NC(=O)N3)=NO1	REAL300020303123	0	43	-1.0	-47.93	369.57	1.99	-45.94
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3=C(C2)C(=O)NC(=O)N3)=NO1	REAL300020303123	1	43	-1.0	-47.92	369.53	1.98	-45.94
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2CC3CC(F)(C3)C2)=NO1	REAL300020303124	0	46	-1.0	-41.76	370.97	8.70	-33.06
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2CC3CC(F)(C3)C2)=NO1	REAL300020303124	1	46	-1.0	-41.78	371.03	8.71	-33.07
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CC3CC(F)(C3)C2)=NO1	REAL300020303125	0	43	-1.0	-45.98	362.94	7.53	-38.45
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CC3CC(F)(C3)C2)=NO1	REAL300020303125	1	43	-1.0	-45.98	362.88	7.51	-38.47
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3C[C@@H]2CO3)=NO1	REAL300020303126	0	44	-1.0	-46.54	359.56	4.37	-42.17
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3C[C@@H]2CO3)=NO1	REAL300020303126	1	44	-1.0	-46.52	359.61	4.39	-42.13
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3C[C@@H]2CO3)=NO1	REAL300020303127	0	41	-1.0	-52.30	339.56	4.10	-48.20
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3C[C@@H]2CO3)=NO1	REAL300020303127	1	41	-1.0	-52.30	339.52	4.08	-48.22
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCC3(CNC(=O)N3)CC2)=NO1	REAL300020303128	0	49	-1.0	-51.05	404.35	2.64	-48.41
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCC3(CNC(=O)N3)CC2)=NO1	REAL300020303128	1	49	-1.0	-50.99	404.41	2.67	-48.32
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2NC2=NN(CC(C)C)C=C2)=NO1	REAL300020303129	0	51	-1.0	-44.84	422.72	10.78	-34.06
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2NC2=NN(CC(C)C)C=C2)=NO1	REAL300020303129	1	51	-1.0	-44.85	422.67	10.77	-34.08
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2NC2=NN(CC(C)C)C=C2)=NO1	REAL300020303130	0	48	-1.0	-50.89	407.69	10.03	-40.86
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2NC2=NN(CC(C)C)C=C2)=NO1	REAL300020303130	1	48	-1.0	-50.88	407.64	10.02	-40.86
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2=NOC(C)=C2)C1	REAL300020303131	0	49	-1.0	-57.13	403.50	4.57	-52.56
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2=NOC(C)=C2)C1	REAL300020303131	1	49	-1.0	-57.11	403.55	4.60	-52.51
CC1=CC(CN2C(CCC3=N[N-]N=N3)=NN=C2N2C[C@H]3OCCO[C@H]3C2)=NO1	REAL300020303132	0	48	-1.0	-43.39	385.90	4.92	-38.47
CC1=CC(CN2C(CCC3=NN=N[N-]3)=NN=C2N2C[C@H]3OCCO[C@H]3C2)=NO1	REAL300020303132	1	48	-1.0	-43.43	385.96	4.94	-38.49
CC1=CC(CN2C(CC3=N[N-]N=N3)=NN=C2N2C[C@H]3OCCO[C@H]3C2)=NO1	REAL300020303133	0	45	-1.0	-47.89	366.41	4.24	-43.65
CC1=CC(CN2C(CC3=NN=N[N-]3)=NN=C2N2C[C@H]3OCCO[C@H]3C2)=NO1	REAL300020303133	1	45	-1.0	-47.90	366.47	4.26	-43.64
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303134	0	42	-1.0	-39.61	351.55	8.04	-31.57
CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303134	1	42	-1.0	-39.65	351.61	8.05	-31.60
CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303135	0	39	-1.0	-40.97	336.39	7.20	-33.77
CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303135	1	39	-1.0	-40.97	336.33	7.16	-33.81
CN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303136	0	46	-1.0	-40.42	385.48	9.95	-30.47
CN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303136	1	46	-1.0	-40.36	385.53	9.94	-30.42
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303137	0	48	-1.0	-41.17	376.18	8.05	-33.12
CCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303137	1	48	-1.0	-41.17	376.24	8.07	-33.10
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303138	0	45	-1.0	-45.96	368.14	7.59	-38.37
CCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303138	1	45	-1.0	-45.93	368.09	7.56	-38.37
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020303139	0	43	-1.0	-43.86	389.05	8.22	-35.64
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020303139	1	43	-1.0	-43.90	388.99	8.20	-35.70
COCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303140	0	52	-1.0	-41.74	419.30	8.01	-33.73
COCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303140	1	52	-1.0	-41.76	419.36	8.02	-33.74
COCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303141	0	49	-1.0	-44.71	398.77	7.26	-37.45
COCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303141	1	49	-1.0	-44.75	398.83	7.29	-37.46
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020303142	0	55	0.0	-68.51	414.80	10.05	-58.46
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020303142	1	55	0.0	-69.46	417.63	10.82	-58.64
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020303142	1	55	0.0	-68.52	414.85	10.07	-58.45
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020303142	1	55	0.0	-69.47	417.68	10.83	-58.64
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020303143	0	52	0.0	-69.01	388.84	8.93	-60.08
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020303143	1	52	0.0	-65.94	403.31	9.71	-56.23
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020303143	1	52	0.0	-69.01	388.90	8.95	-60.06
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020303143	1	52	0.0	-65.93	403.36	9.73	-56.20
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CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCCC1	REAL300020303146	0	45	-1.0	-40.02	343.04	7.40	-32.62
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCCC1	REAL300020303146	1	45	-1.0	-40.03	343.09	7.42	-32.61
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCCC1	REAL300020303147	0	42	-1.0	-41.93	331.27	6.62	-35.31
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CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCCCC1	REAL300020303148	0	49	-1.0	-41.56	370.55	9.35	-32.21
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCCCC1	REAL300020303148	1	49	-1.0	-41.53	370.58	9.34	-32.19
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CC(C1=CC=C(S(C)=O)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303153	0	47	-1.0	-52.31	406.73	5.93	-46.38
CC(C1=CC=C(S(C)=O)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303153	1	47	-1.0	-52.34	406.78	5.95	-46.39
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)OC(C1=CC=CC=C1)=C2	REAL300020303154	0	47	-1.0	-41.73	395.62	9.62	-32.11
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)OC(C1=CC=CC=C1)=C2	REAL300020303154	1	47	-1.0	-41.75	395.68	9.63	-32.12
CCCCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1(C)C	REAL300020303155	0	58	-1.0	-40.38	445.18	8.01	-32.37
CCCCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1(C)C	REAL300020303155	1	58	-1.0	-40.41	445.24	8.03	-32.38
CCCCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1(C)C	REAL300020303156	0	55	-1.0	-40.45	434.02	8.40	-32.05
CCCCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1(C)C	REAL300020303156	1	55	-1.0	-40.43	434.08	8.43	-32.00
CC1=CC=C(C2CC(C)N(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020303157	0	52	-1.0	-40.27	422.41	10.41	-29.86
CC1=CC=C(C2CC(C)N(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020303157	1	52	-1.0	-40.26	422.47	10.43	-29.83
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CC1=CC=C(C2CC(C)N(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020303158	1	49	-1.0	-41.84	396.16	9.55	-32.29
CC1=CC(F)=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020303159	0	46	-1.0	-39.27	380.07	9.00	-30.27
CC1=CC(F)=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020303159	1	46	-1.0	-39.28	380.13	9.02	-30.26
CC1=CC(F)=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020303160	0	43	-1.0	-43.87	351.65	7.17	-36.70
CC1=CC(F)=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020303160	1	43	-1.0	-43.85	351.71	7.20	-36.65
CCCOC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020303161	0	50	-1.0	-45.04	401.47	7.67	-37.37
CCCOC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020303161	1	50	-1.0	-45.05	401.52	7.69	-37.36
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COCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCC(C)C1	REAL300020303163	0	52	-1.0	-39.82	400.94	7.07	-32.75
COCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCC(C)C1	REAL300020303163	1	52	-1.0	-39.81	401.00	7.09	-32.72
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCC(C)C1	REAL300020303164	0	49	-1.0	-43.58	376.02	6.32	-37.26
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCC(C)C1	REAL300020303164	1	49	-1.0	-43.60	376.08	6.34	-37.26
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303165	0	47	-1.0	-40.53	369.72	7.14	-33.39
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303165	1	47	-1.0	-40.52	369.78	7.16	-33.36
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303166	0	44	-1.0	-42.58	345.80	6.38	-36.20
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303166	1	44	-1.0	-42.54	345.86	6.41	-36.13
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303167	0	51	-1.0	-41.12	395.16	9.13	-31.99
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303167	1	51	-1.0	-41.06	395.18	9.12	-31.94
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCC2=CC=CC=C21	REAL300020303168	0	46	-1.0	-41.79	375.28	7.99	-33.80
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCC2=CC=CC=C21	REAL300020303168	1	46	-1.0	-41.78	375.34	8.00	-33.78
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCC2=CC=CC=C21	REAL300020303169	0	43	-1.0	-46.62	350.23	7.44	-39.18
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCC2=CC=CC=C21	REAL300020303169	1	43	-1.0	-46.60	350.24	7.44	-39.16
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CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303174	0	48	-1.0	-40.41	400.42	8.24	-32.17
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303174	1	48	-1.0	-40.46	400.47	8.26	-32.20
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303175	0	45	-1.0	-42.27	384.47	7.67	-34.60
CC(C1=CC2=CC=CC=C2O1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303175	1	45	-1.0	-42.32	384.41	7.64	-34.68
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FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020303176	1	45	-1.0	-40.97	364.96	5.27	-35.70
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020303177	0	42	-1.0	-42.67	346.39	4.59	-38.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020303177	1	42	-1.0	-42.68	346.45	4.61	-38.07
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020303178	0	37	-1.0	-38.59	322.60	6.01	-32.58
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020303178	1	37	-1.0	-38.56	322.66	6.02	-32.54
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1	REAL300020303179	0	41	-1.0	-40.40	349.37	8.00	-32.40
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1	REAL300020303179	1	41	-1.0	-40.29	349.41	7.98	-32.31
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C(C)C	REAL300020303180	0	45	-1.0	-41.06	362.35	6.95	-34.11
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C(C)C	REAL300020303180	1	45	-1.0	-40.98	362.39	6.94	-34.04
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020303181	0	44	-1.0	-41.56	384.84	9.67	-31.89
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020303181	1	44	-1.0	-41.54	384.90	9.70	-31.84
OCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303182	0	43	-1.0	-41.07	354.26	3.59	-37.48
OCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303182	1	43	-1.0	-41.07	354.32	3.60	-37.47
OCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303183	0	40	-1.0	-43.48	332.75	2.80	-40.68
OCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303183	1	40	-1.0	-43.51	332.81	2.82	-40.69
OCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020303184	0	47	-1.0	-42.51	370.52	5.65	-36.86
OCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020303184	1	47	-1.0	-42.46	370.54	5.63	-36.83
CC(C)N(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303185	0	45	-1.0	-39.31	363.97	7.52	-31.79
CC(C)N(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303185	1	45	-1.0	-39.29	364.03	7.53	-31.76
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303186	0	42	-1.0	-42.05	340.13	6.81	-35.24
CC(C)N(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303186	1	42	-1.0	-42.01	340.08	6.78	-35.23
CC(C)N(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303187	0	49	-1.0	-40.70	394.50	8.70	-32.00
CC(C)N(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303187	1	49	-1.0	-40.64	394.60	8.70	-31.94
O=C(C1CC1)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303188	0	50	-1.0	-44.69	403.81	7.92	-36.77
O=C(C1CC1)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303188	1	50	-1.0	-44.72	403.86	7.93	-36.79
O=C(C1CC1)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303189	0	47	-1.0	-42.64	382.58	6.66	-35.98
O=C(C1CC1)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303189	1	47	-1.0	-42.58	382.64	6.66	-35.92
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020303190	0	47	-1.0	-40.44	382.19	5.28	-35.16
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020303190	1	47	-1.0	-40.43	382.24	5.30	-35.13
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020303191	0	44	-1.0	-43.79	366.37	5.07	-38.72
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020303191	1	44	-1.0	-43.81	366.42	5.10	-38.71
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303192	0	45	-1.0	-42.00	370.49	8.61	-33.39
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303192	1	45	-1.0	-42.02	370.54	8.63	-33.39
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303193	0	42	-1.0	-44.93	357.16	7.39	-37.54
CC(C1=CC=CC=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303193	1	42	-1.0	-44.88	357.11	7.37	-37.51
CC1CC1C1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2CC2)O1	REAL300020303194	0	50	-1.0	-40.02	416.62	9.70	-30.32
CC1CC1C1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2CC2)O1	REAL300020303194	1	50	-1.0	-40.03	416.67	9.71	-30.32
CC(C1=CC=CC=C1Cl)N(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020303195	0	46	-1.0	-43.69	393.75	8.65	-35.04
CC(C1=CC=CC=C1Cl)N(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020303195	1	46	-1.0	-43.68	393.81	8.67	-35.01
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020303196	0	47	-1.0	-40.01	372.37	5.83	-34.18
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020303196	1	47	-1.0	-40.01	372.41	5.85	-34.16
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020303197	0	44	-1.0	-41.58	360.31	5.54	-36.04
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020303197	1	44	-1.0	-41.59	360.36	5.56	-36.03
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020303198	0	51	-1.0	-41.54	408.37	8.54	-33.00
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020303198	1	51	-1.0	-41.48	408.38	8.53	-32.95
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020303199	0	49	-1.0	-42.63	412.18	10.72	-31.91
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020303199	1	49	-1.0	-42.61	412.14	10.68	-31.93
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020303200	0	46	-1.0	-38.66	404.95	9.68	-28.98
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020303200	1	46	-1.0	-38.63	405.00	9.69	-28.94
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020303201	0	43	-1.0	-40.13	383.45	8.88	-31.25
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020303201	1	43	-1.0	-40.12	383.50	8.91	-31.21
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020303202	0	46	-1.0	-39.99	386.56	9.20	-30.79
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020303202	1	46	-1.0	-40.01	386.62	9.21	-30.80
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020303203	0	43	-1.0	-39.64	369.90	8.27	-31.37
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020303203	1	43	-1.0	-39.65	369.93	8.30	-31.35
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020303204	0	46	-1.0	-40.32	398.33	9.33	-30.99
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020303204	1	46	-1.0	-40.35	398.39	9.35	-31.00
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020303205	0	43	-1.0	-40.09	372.56	8.53	-31.56
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020303205	1	43	-1.0	-40.04	372.52	8.50	-31.54
COC1=CC=CC=C1CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020303206	0	50	-1.0	-40.85	409.72	8.77	-32.08
COC1=CC=CC=C1CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020303206	1	50	-1.0	-40.81	409.77	8.78	-32.03
COC1=CC=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020303207	0	47	-1.0	-43.37	388.30	8.01	-35.36
COC1=CC=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020303207	1	47	-1.0	-43.37	388.24	7.99	-35.38
CCC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2CC2)C=C1	REAL300020303208	0	52	-1.0	-39.03	422.51	10.34	-28.69
CCC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2CC2)C=C1	REAL300020303208	1	52	-1.0	-39.08	422.57	10.36	-28.72
CCC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2CC2)C=C1	REAL300020303209	0	49	-1.0	-41.29	409.59	9.80	-31.49
CCC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2CC2)C=C1	REAL300020303209	1	49	-1.0	-41.30	409.65	9.83	-31.47
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020303210	0	43	-1.0	-39.23	347.19	8.02	-31.21
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020303210	1	43	-1.0	-39.17	347.25	8.04	-31.13
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020303211	0	40	-1.0	-41.28	351.62	7.09	-34.19
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020303211	1	40	-1.0	-41.26	351.57	7.06	-34.20
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303212	0	45	-1.0	-41.24	385.29	8.94	-32.30
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303212	1	45	-1.0	-41.27	385.35	8.96	-32.31
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303213	0	42	-1.0	-42.51	367.05	7.41	-35.10
CC(C1=CC=CC(Cl)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303213	1	42	-1.0	-42.50	367.10	7.45	-35.05
CCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303214	0	51	-1.0	-39.37	389.44	7.72	-31.65
CCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303214	1	51	-1.0	-39.36	389.49	7.74	-31.62
CCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303215	0	48	-1.0	-42.63	362.26	6.92	-35.71
CCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303215	1	48	-1.0	-42.62	362.31	6.94	-35.68
CCC1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020303216	0	55	-1.0	-41.23	411.60	10.43	-30.80
CCC1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020303216	1	55	-1.0	-41.24	411.64	10.42	-30.82
CC1CCCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020303217	0	48	-1.0	-39.18	362.78	7.70	-31.48
CC1CCCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020303217	1	48	-1.0	-39.16	362.84	7.71	-31.45
CC1CCCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020303218	0	45	-1.0	-40.22	348.36	7.33	-32.89
CC1CCCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020303218	1	45	-1.0	-40.24	348.41	7.35	-32.89
CC1CCCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020303219	0	52	-1.0	-41.42	395.32	10.00	-31.42
CC1CCCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020303219	1	52	-1.0	-41.45	395.34	9.99	-31.46
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303220	0	45	-1.0	-38.83	392.67	8.66	-30.17
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303220	1	45	-1.0	-38.83	392.72	8.68	-30.15
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303221	0	42	-1.0	-40.46	371.24	7.85	-32.61
CC(C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303221	1	42	-1.0	-40.46	371.30	7.88	-32.58
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303222	0	42	-1.0	-39.62	337.61	6.60	-33.02
CC(C1=CC=CO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303222	1	42	-1.0	-39.64	337.67	6.61	-33.03
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303223	0	39	-1.0	-42.21	322.77	6.07	-36.14
CC(C1=CC=CO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303223	1	39	-1.0	-42.24	322.70	6.05	-36.19
CC(C1=CC=CO1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303224	0	46	-1.0	-44.09	378.93	8.51	-35.58
CC(C1=CC=CO1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303224	1	46	-1.0	-44.14	378.94	8.50	-35.64
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1C	REAL300020303225	0	42	-1.0	-40.50	329.77	6.69	-33.81
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1C	REAL300020303225	1	42	-1.0	-40.53	329.82	6.71	-33.82
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1C	REAL300020303226	0	46	-1.0	-41.53	361.06	8.85	-32.68
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1C	REAL300020303226	1	46	-1.0	-41.55	361.10	8.84	-32.71
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1(CC)CC	REAL300020303227	0	58	-1.0	-40.80	435.27	9.60	-31.20
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1(CC)CC	REAL300020303227	1	58	-1.0	-40.80	435.32	9.61	-31.19
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1(CC)CC	REAL300020303228	0	55	-1.0	-44.38	408.37	8.83	-35.55
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1(CC)CC	REAL300020303228	1	55	-1.0	-44.38	408.42	8.86	-35.52
CCNS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020303229	0	47	-1.0	-50.99	384.06	2.11	-48.88
CCNS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020303229	1	47	-1.0	-51.02	384.12	2.12	-48.90
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020303230	0	44	-1.0	-53.32	366.06	1.52	-51.80
CCNS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020303230	1	44	-1.0	-53.29	366.12	1.54	-51.75
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020303231	0	45	-1.0	-38.75	382.85	7.62	-31.13
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020303231	1	45	-1.0	-38.77	382.91	7.63	-31.14
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020303232	0	42	-1.0	-39.79	357.34	6.91	-32.88
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020303232	1	42	-1.0	-39.76	357.37	6.92	-32.84
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020303233	0	45	-1.0	-41.08	373.24	7.94	-33.14
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020303233	1	45	-1.0	-41.08	373.30	7.96	-33.12
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020303234	0	42	-1.0	-42.93	352.89	7.19	-35.74
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020303234	1	42	-1.0	-42.88	352.95	7.22	-35.66
CC1CN(C2=NC=CN=C2C#N)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303235	0	47	-1.0	-48.63	399.89	4.24	-44.39
CC1CN(C2=NC=CN=C2C#N)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303235	1	47	-1.0	-48.63	399.83	4.23	-44.40
CC1C2=CC(F)=CC(F)=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303236	0	46	-1.0	-42.61	378.55	7.86	-34.75
CC1C2=CC(F)=CC(F)=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303236	1	46	-1.0	-42.63	378.61	7.87	-34.76
CC1C2=CC(F)=CC(F)=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303237	0	43	-1.0	-43.52	351.85	7.09	-36.43
CC1C2=CC(F)=CC(F)=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303237	1	43	-1.0	-43.52	351.91	7.10	-36.42
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCN(S(C)(=O)=O)CC1	REAL300020303238	0	47	-1.0	-49.41	381.80	3.07	-46.34
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCN(S(C)(=O)=O)CC1	REAL300020303238	1	47	-1.0	-49.44	381.85	3.10	-46.34
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020303239	0	49	-1.0	-40.65	364.16	6.27	-34.38
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020303239	1	49	-1.0	-40.67	364.22	6.29	-34.38
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020303240	0	46	-1.0	-42.54	348.53	5.64	-36.90
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020303240	1	46	-1.0	-42.53	348.59	5.66	-36.87
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCCCCC21	REAL300020303241	0	53	-1.0	-42.00	396.20	8.41	-33.59
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCCCCC21	REAL300020303241	1	53	-1.0	-41.92	396.11	8.28	-33.64
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C12CCC2	REAL300020303242	0	53	-1.0	-41.02	420.90	8.02	-33.00
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C12CCC2	REAL300020303242	1	53	-1.0	-41.03	420.96	8.04	-32.99
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C12CCC2	REAL300020303243	0	50	-1.0	-40.57	398.90	7.28	-33.29
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C12CCC2	REAL300020303243	1	50	-1.0	-40.61	398.96	7.30	-33.31
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303244	0	55	-1.0	-40.93	413.41	8.64	-32.29
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303244	1	55	-1.0	-40.89	413.47	8.65	-32.24
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303245	0	52	-1.0	-44.32	386.40	7.86	-36.46
CCC1(CC)C(OC)CC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303245	1	52	-1.0	-44.34	386.46	7.88	-36.46
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020303246	0	43	-1.0	-43.19	368.60	8.35	-34.84
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020303246	1	43	-1.0	-43.19	368.66	8.37	-34.82
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020303247	0	40	-1.0	-47.20	340.37	6.74	-40.46
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020303247	1	40	-1.0	-47.26	340.43	6.77	-40.49
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020303248	0	55	-1.0	-40.98	411.36	9.46	-31.52
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020303248	1	55	-1.0	-41.02	411.42	9.48	-31.54
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020303249	0	52	-1.0	-42.03	398.55	9.04	-32.99
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020303249	1	52	-1.0	-42.06	398.61	9.06	-33.00
CC(C1=CC=CC(C(F)(F)F)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303250	0	45	-1.0	-43.58	391.00	8.36	-35.22
CC(C1=CC=CC(C(F)(F)F)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303250	1	45	-1.0	-43.57	391.04	8.38	-35.19
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303251	0	48	-1.0	-41.80	382.12	9.09	-32.71
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303251	1	48	-1.0	-41.80	382.18	9.10	-32.70
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303252	0	45	-1.0	-40.72	364.23	7.74	-32.98
CC1=CC=CC=C1C(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303252	1	45	-1.0	-40.74	364.17	7.72	-33.02
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303253	0	45	-1.0	-42.00	378.62	8.47	-33.53
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303253	1	45	-1.0	-42.07	378.68	8.49	-33.58
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303254	0	42	-1.0	-42.50	363.56	7.43	-35.07
CC(C1=CC(F)=CC=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303254	1	42	-1.0	-42.48	363.62	7.46	-35.02
CC1=CC=CC(CN(CC2=CC=CO2)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020303255	0	49	-1.0	-44.31	407.30	9.17	-35.14
CC1=CC=CC(CN(CC2=CC=CO2)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020303255	1	49	-1.0	-44.33	407.24	9.14	-35.19
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020303256	0	46	-1.0	-41.67	390.29	10.26	-31.41
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020303256	1	46	-1.0	-41.70	390.35	10.28	-31.42
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020303257	0	43	-1.0	-43.74	364.54	9.70	-34.04
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020303257	1	43	-1.0	-43.74	364.59	9.73	-34.01
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020303258	0	46	-1.0	-41.11	379.76	8.17	-32.94
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020303258	1	46	-1.0	-41.11	379.82	8.18	-32.93
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020303259	0	43	-1.0	-41.39	361.67	7.86	-33.53
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020303259	1	43	-1.0	-41.41	361.73	7.89	-33.52
CC(C)(C)C1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303260	0	55	-1.0	-41.44	421.18	9.66	-31.78
CC(C)(C)C1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303260	1	55	-1.0	-41.41	421.24	9.69	-31.72
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020303261	0	46	-1.0	-42.05	389.56	10.07	-31.98
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020303261	1	46	-1.0	-42.04	389.62	10.08	-31.96
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020303262	0	43	-1.0	-44.30	371.58	9.47	-34.83
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020303262	1	43	-1.0	-44.30	371.64	9.50	-34.80
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020303263	0	52	-1.0	-41.07	387.24	9.37	-31.70
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020303263	1	52	-1.0	-41.06	387.29	9.38	-31.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020303264	0	49	-1.0	-42.47	373.35	8.95	-33.52
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020303264	1	49	-1.0	-42.44	373.40	8.97	-33.47
CC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303265	0	49	-1.0	-41.09	392.38	10.32	-30.77
CC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303265	1	49	-1.0	-41.09	392.44	10.33	-30.76
CC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303266	0	46	-1.0	-44.21	370.77	9.73	-34.48
CC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303266	1	46	-1.0	-44.18	370.72	9.70	-34.48
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020303267	0	49	-1.0	-41.71	394.23	10.21	-31.50
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020303267	1	49	-1.0	-41.71	394.29	10.23	-31.48
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020303268	0	46	-1.0	-40.73	362.06	7.99	-32.74
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020303268	1	46	-1.0	-40.69	362.00	7.97	-32.72
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020303269	0	43	-1.0	-39.45	370.05	8.14	-31.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020303269	1	43	-1.0	-39.48	370.11	8.16	-31.32
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020303270	0	40	-1.0	-41.68	346.49	7.55	-34.13
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020303270	1	40	-1.0	-41.68	346.44	7.53	-34.15
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303271	0	48	-1.0	-45.94	388.86	7.83	-38.11
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303271	1	48	-1.0	-45.96	388.92	7.85	-38.11
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303272	0	45	-1.0	-52.24	367.09	7.07	-45.17
CC(C)N(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303272	1	45	-1.0	-52.23	367.04	7.04	-45.19
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303273	0	48	-1.0	-39.61	392.67	8.62	-30.99
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303273	1	48	-1.0	-39.62	392.73	8.63	-30.99
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303274	0	45	-1.0	-40.31	371.14	8.00	-32.31
CC(C)N(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303274	1	45	-1.0	-40.32	371.08	7.99	-32.33
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303275	0	48	-1.0	-40.69	387.16	9.85	-30.84
CCN(CC1=CC=CC=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303275	1	48	-1.0	-40.72	387.22	9.87	-30.85
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303276	0	45	-1.0	-41.06	370.51	8.53	-32.53
CCN(CC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303276	1	45	-1.0	-41.06	370.45	8.50	-32.56
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303277	0	45	-1.0	-39.03	384.26	8.37	-30.66
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303277	1	45	-1.0	-39.03	384.32	8.38	-30.65
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303278	0	42	-1.0	-41.14	362.92	7.59	-33.55
CCN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303278	1	42	-1.0	-41.15	362.97	7.62	-33.53
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303279	0	45	-1.0	-41.29	373.19	8.14	-33.15
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303279	1	45	-1.0	-41.30	373.24	8.15	-33.15
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303280	0	42	-1.0	-45.65	361.36	7.53	-38.12
CCN(CC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303280	1	42	-1.0	-45.67	361.43	7.55	-38.12
O=[N+]([O-])C1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2CC2)C=C1	REAL300020303281	0	45	-1.0	-42.12	394.94	9.03	-33.09
O=[N+]([O-])C1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2CC2)C=C1	REAL300020303281	1	45	-1.0	-42.12	394.99	9.06	-33.06
O=[N+]([O-])C1=CC=CC(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2CC2)=C1	REAL300020303282	0	45	-1.0	-41.82	394.32	9.11	-32.71
O=[N+]([O-])C1=CC=CC(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2CC2)=C1	REAL300020303282	1	45	-1.0	-41.86	394.38	9.13	-32.73
O=[N+]([O-])C1=CC=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020303283	0	45	-1.0	-39.15	374.09	8.11	-31.04
O=[N+]([O-])C1=CC=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020303283	1	45	-1.0	-39.14	374.14	8.13	-31.01
CCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C(C)C	REAL300020303284	0	50	-1.0	-40.29	391.56	7.70	-32.59
CCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C(C)C	REAL300020303284	1	50	-1.0	-40.30	391.62	7.71	-32.59
CCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C(C)C	REAL300020303285	0	47	-1.0	-42.94	370.08	6.92	-36.02
CCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C(C)C	REAL300020303285	1	47	-1.0	-42.94	370.13	6.95	-35.99
CCCCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C(C)C	REAL300020303286	0	54	-1.0	-41.65	419.02	9.75	-31.90
CCCCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C(C)C	REAL300020303286	1	54	-1.0	-41.65	418.90	9.74	-31.91
CC(C)N(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303287	0	48	-1.0	-44.24	399.18	8.28	-35.96
CC(C)N(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303287	1	48	-1.0	-44.21	399.24	8.30	-35.91
CC(C)N(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303288	0	45	-1.0	-48.22	377.37	7.48	-40.74
CC(C)N(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303288	1	45	-1.0	-48.20	377.42	7.51	-40.69
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303289	0	45	-1.0	-39.41	383.84	8.34	-31.07
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303289	1	45	-1.0	-39.42	383.90	8.36	-31.06
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303290	0	42	-1.0	-41.00	366.97	8.67	-32.33
CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303290	1	42	-1.0	-41.06	367.03	8.70	-32.36
CC(C)N(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303291	0	45	-1.0	-38.58	368.14	8.35	-30.23
CC(C)N(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303291	1	45	-1.0	-38.62	368.20	8.37	-30.25
CC(C)N(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303292	0	42	-1.0	-41.34	348.04	7.36	-33.98
CC(C)N(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303292	1	42	-1.0	-41.31	347.99	7.33	-33.98
CN(CC(=O)N1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303293	0	47	-1.0	-40.98	386.76	4.27	-36.71
CN(CC(=O)N1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303293	1	47	-1.0	-40.97	386.82	4.28	-36.69
CN(CC(=O)N1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303294	0	44	-1.0	-43.18	359.37	3.63	-39.55
CN(CC(=O)N1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303294	1	44	-1.0	-43.11	359.42	3.66	-39.45
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCS(=O)(=O)C1	REAL300020303295	0	42	-1.0	-50.94	354.23	2.31	-48.63
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCS(=O)(=O)C1	REAL300020303295	1	42	-1.0	-50.95	354.28	2.33	-48.62
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCS(=O)(=O)C1	REAL300020303296	0	39	-1.0	-46.56	325.36	2.23	-44.33
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCS(=O)(=O)C1	REAL300020303296	1	39	-1.0	-46.54	325.41	2.24	-44.30
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303297	0	49	-1.0	-42.10	401.75	7.13	-34.97
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303297	1	49	-1.0	-42.15	401.81	7.15	-35.00
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303298	0	46	-1.0	-44.32	391.42	6.41	-37.91
CC1=CC=C(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303298	1	46	-1.0	-44.38	391.47	6.44	-37.94
COC1=CC2=C(C=C1OC)CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020303299	0	48	-1.0	-47.11	384.60	5.88	-41.23
COC1=CC2=C(C=C1OC)CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020303299	1	48	-1.0	-47.08	384.66	5.89	-41.19
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCS(=O)(=O)C1	REAL300020303300	0	45	-1.0	-49.44	360.99	3.35	-46.09
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCS(=O)(=O)C1	REAL300020303300	1	45	-1.0	-49.41	361.05	3.37	-46.04
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCS(=O)(=O)C1	REAL300020303301	0	42	-1.0	-47.29	339.88	2.89	-44.40
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCS(=O)(=O)C1	REAL300020303301	1	42	-1.0	-47.30	339.94	2.90	-44.40
CC1=CC=CC(C)=C1NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303302	0	49	-1.0	-41.13	403.34	7.34	-33.79
CC1=CC=CC(C)=C1NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303302	1	49	-1.0	-41.12	403.40	7.35	-33.77
CCN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303303	0	48	-1.0	-42.97	383.76	6.53	-36.44
CCN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303303	1	48	-1.0	-42.93	383.81	6.53	-36.40
CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1C	REAL300020303304	0	49	-1.0	-42.03	392.66	7.37	-34.66
CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1C	REAL300020303304	1	49	-1.0	-42.03	392.71	7.39	-34.64
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303305	0	49	-1.0	-41.41	395.63	7.60	-33.81
CCC1=CC=CC=C1NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303305	1	49	-1.0	-41.45	395.68	7.63	-33.82
CC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303306	0	48	-1.0	-39.44	371.27	7.13	-32.31
CC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303306	1	48	-1.0	-39.45	371.32	7.15	-32.30
CC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303307	0	45	-1.0	-41.06	349.76	6.34	-34.72
CC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303307	1	45	-1.0	-41.10	349.81	6.36	-34.74
CC1CCC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020303308	0	52	-1.0	-41.24	393.74	9.79	-31.45
CC1CCC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020303308	1	52	-1.0	-41.23	393.78	9.78	-31.45
CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303309	0	42	-1.0	-38.62	365.06	7.45	-31.17
CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303309	1	42	-1.0	-38.69	365.12	7.46	-31.23
CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303310	0	39	-1.0	-41.10	346.63	6.88	-34.22
CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303310	1	39	-1.0	-41.05	346.57	6.86	-34.19
CCN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303311	0	46	-1.0	-40.35	395.84	9.53	-30.82
CCN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303311	1	46	-1.0	-40.30	395.88	9.51	-30.79
OC1=CC=C(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020303312	0	48	-1.0	-43.70	397.98	6.09	-37.61
OC1=CC=C(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020303312	1	48	-1.0	-43.71	398.04	6.11	-37.60
OC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020303313	0	45	-1.0	-43.21	379.13	6.31	-36.90
OC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020303313	1	45	-1.0	-43.26	379.19	6.33	-36.93
COC(C1=CC=CC=C1Cl)C(C)NC1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303314	0	46	-1.0	-44.21	400.95	8.86	-35.35
COC(C1=CC=CC=C1Cl)C(C)NC1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303314	1	46	-1.0	-44.21	401.03	8.89	-35.32
CN(CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303315	0	47	-1.0	-46.10	408.61	9.45	-36.65
CN(CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303315	1	47	-1.0	-46.10	408.66	9.47	-36.63
CN(CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303316	0	44	-1.0	-47.59	387.05	8.67	-38.92
CN(CCC1=CC=CC([N+](=O)[O-])=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303316	1	44	-1.0	-47.59	387.11	8.70	-38.89
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303317	0	48	-1.0	-43.09	407.69	5.79	-37.30
C#CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303317	1	48	-1.0	-43.09	407.75	5.80	-37.29
C#CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303318	0	45	-1.0	-44.15	386.19	5.00	-39.15
C#CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303318	1	45	-1.0	-44.14	386.25	5.03	-39.11
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303319	0	47	-1.0	-51.96	381.34	4.51	-47.45
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303319	1	47	-1.0	-51.99	381.40	4.52	-47.47
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303320	0	44	-1.0	-51.70	358.10	3.97	-47.73
CCS(=O)(=O)CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303320	1	44	-1.0	-51.70	358.14	3.98	-47.72
CC(C(C)S(C)(=O)=O)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303321	0	47	-1.0	-52.88	368.95	3.94	-48.94
CC(C(C)S(C)(=O)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303321	1	47	-1.0	-52.89	369.00	3.96	-48.93
CC(C(C)S(C)(=O)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303322	0	44	-1.0	-52.58	348.96	3.49	-49.09
CC(C(C)S(C)(=O)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303322	1	44	-1.0	-52.55	349.01	3.50	-49.05
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303323	0	46	-1.0	-42.26	374.94	8.30	-33.96
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303323	1	46	-1.0	-42.28	375.00	8.31	-33.97
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303324	0	43	-1.0	-42.90	357.20	7.68	-35.22
CC1C2=C(F)C=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303324	1	43	-1.0	-42.94	357.13	7.65	-35.29
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020303325	0	40	-1.0	-40.57	317.70	5.20	-35.37
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020303325	1	40	-1.0	-40.58	317.76	5.21	-35.37
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC21	REAL300020303326	0	44	-1.0	-42.00	346.01	7.09	-34.91
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC21	REAL300020303326	1	44	-1.0	-42.00	346.06	7.08	-34.92
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303327	0	51	-1.0	-41.85	419.16	9.53	-32.32
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303327	1	51	-1.0	-41.88	419.21	9.54	-32.34
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303328	0	48	-1.0	-42.95	386.83	8.69	-34.26
CCCN(CCC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303328	1	48	-1.0	-42.93	386.88	8.70	-34.23
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020303329	0	49	-1.0	-41.22	416.17	10.21	-31.01
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020303329	1	49	-1.0	-41.23	416.23	10.23	-31.00
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020303330	0	46	-1.0	-44.24	388.06	8.97	-35.27
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020303330	1	46	-1.0	-44.31	388.12	8.99	-35.32
CC(C)(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303331	0	54	-1.0	-39.02	397.78	8.54	-30.48
CC(C)(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303331	1	54	-1.0	-39.07	397.84	8.56	-30.51
CC(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303332	0	51	-1.0	-40.70	375.96	7.92	-32.78
CC(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303332	1	51	-1.0	-40.74	376.03	7.93	-32.81
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303333	0	51	-1.0	-38.94	377.57	8.72	-30.22
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303333	1	51	-1.0	-38.92	377.62	8.73	-30.19
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303334	0	48	-1.0	-40.09	360.82	8.06	-32.03
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303334	1	48	-1.0	-40.11	360.88	8.08	-32.03
CC(C)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020303335	0	55	-1.0	-40.06	410.54	10.84	-29.22
CC(C)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020303335	1	55	-1.0	-40.00	410.59	10.84	-29.16
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303336	0	41	-1.0	-40.79	341.97	8.18	-32.61
C#CC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303336	1	41	-1.0	-40.73	342.01	8.16	-32.57
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303337	0	56	0.0	-68.44	426.42	6.94	-61.50
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303337	1	56	0.0	-68.50	416.92	6.81	-61.69
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303337	1	56	0.0	-68.46	426.48	6.96	-61.50
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303337	1	56	0.0	-68.54	416.98	6.82	-61.72
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303338	0	53	0.0	-67.98	400.98	6.19	-61.79
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303338	1	53	0.0	-66.22	395.40	6.02	-60.20
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303338	1	53	0.0	-67.98	401.03	6.21	-61.77
C[C@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303338	1	53	0.0	-66.20	395.46	6.05	-60.15
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020303339	0	47	-1.0	-40.31	388.82	7.75	-32.56
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020303339	1	47	-1.0	-40.33	388.87	7.77	-32.56
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020303340	0	44	-1.0	-43.75	361.25	7.12	-36.63
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020303340	1	44	-1.0	-43.67	361.19	7.08	-36.59
CC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303341	0	48	-1.0	-38.25	363.41	8.91	-29.34
CC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303341	1	48	-1.0	-38.24	363.46	8.92	-29.32
CC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303342	0	45	-1.0	-40.12	334.00	7.10	-33.02
CC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303342	1	45	-1.0	-40.09	334.06	7.12	-32.97
CC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020303343	0	52	-1.0	-39.99	390.62	9.90	-30.09
CC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020303343	1	52	-1.0	-39.91	390.72	9.89	-30.02
CC1=NSC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020303344	0	46	-1.0	-41.82	397.13	5.52	-36.30
CC1=NSC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020303344	1	46	-1.0	-41.82	397.19	5.54	-36.28
CC1=NSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020303345	0	43	-1.0	-42.48	375.65	4.74	-37.74
CC1=NSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020303345	1	43	-1.0	-42.51	375.70	4.76	-37.75
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303346	0	55	-1.0	-40.62	421.97	10.10	-30.52
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303346	1	55	-1.0	-40.63	422.02	10.11	-30.52
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303347	0	52	-1.0	-43.99	399.12	9.32	-34.67
CCC1C(C2=CC=C(C)C=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303347	1	52	-1.0	-43.98	399.18	9.35	-34.63
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303348	0	52	-1.0	-39.99	412.26	9.60	-30.39
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303348	1	52	-1.0	-40.02	412.31	9.61	-30.41
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303349	0	49	-1.0	-42.36	395.55	8.93	-33.43
CC1C(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303349	1	49	-1.0	-42.32	395.61	8.96	-33.36
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303350	0	49	-1.0	-40.46	387.93	9.59	-30.87
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303350	1	49	-1.0	-40.48	387.98	9.61	-30.87
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303351	0	46	-1.0	-43.96	363.51	8.64	-35.32
CC1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303351	1	46	-1.0	-43.95	363.54	8.66	-35.29
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020303352	0	44	-1.0	-44.75	381.74	8.95	-35.80
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020303352	1	44	-1.0	-44.74	381.79	8.98	-35.76
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020303353	0	52	-1.0	-41.65	415.33	10.93	-30.72
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020303353	1	52	-1.0	-41.64	415.39	10.94	-30.70
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020303354	0	49	-1.0	-44.44	392.19	10.41	-34.03
CC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020303354	1	49	-1.0	-44.48	392.14	10.38	-34.10
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020303355	0	55	-1.0	-38.05	390.09	10.55	-27.50
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020303355	1	55	-1.0	-38.08	390.15	10.56	-27.52
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020303356	0	52	-1.0	-41.53	381.87	8.75	-32.78
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020303356	1	52	-1.0	-41.53	381.92	8.78	-32.75
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303357	0	48	-1.0	-42.57	390.86	9.84	-32.73
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303357	1	48	-1.0	-42.55	390.92	9.86	-32.69
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303358	0	43	-1.0	-39.77	346.98	6.89	-32.88
CC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303358	1	43	-1.0	-39.77	347.07	6.90	-32.87
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303359	0	40	-1.0	-42.14	336.18	7.60	-34.54
CC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303359	1	40	-1.0	-42.09	336.12	7.57	-34.52
CC1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303360	0	47	-1.0	-41.86	382.57	8.92	-32.94
CC1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303360	1	47	-1.0	-41.90	382.61	8.91	-32.99
CN(CCCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303361	0	45	-1.0	-41.32	367.55	4.08	-37.24
CN(CCCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303361	1	45	-1.0	-41.36	367.61	4.09	-37.27
CN(CCCCCO)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303362	0	42	-1.0	-41.42	339.67	3.46	-37.96
CN(CCCCCO)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303362	1	42	-1.0	-41.43	339.73	3.46	-37.97
CN(CCCCCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303363	0	49	-1.0	-42.19	403.20	5.97	-36.22
CN(CCCCCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303363	1	49	-1.0	-42.14	403.24	5.96	-36.18
COCCN(CC1=CC=C(C)O1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303364	0	49	-1.0	-39.58	411.84	6.29	-33.29
COCCN(CC1=CC=C(C)O1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303364	1	49	-1.0	-39.57	411.89	6.31	-33.26
COCCN(CC1=CC=C(C)O1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303365	0	46	-1.0	-41.79	393.90	5.66	-36.13
COCCN(CC1=CC=C(C)O1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303365	1	46	-1.0	-41.81	393.96	5.67	-36.14
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020303366	0	47	-1.0	-41.52	388.48	9.69	-31.83
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020303366	1	47	-1.0	-41.56	388.54	9.70	-31.86
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020303367	0	44	-1.0	-43.72	363.08	8.41	-35.31
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020303367	1	44	-1.0	-43.69	363.03	8.40	-35.29
CC1=NSC(N2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020303368	0	46	-1.0	-45.83	389.55	5.86	-39.97
CC1=NSC(N2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020303368	1	46	-1.0	-45.81	389.60	5.88	-39.93
CC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020303369	0	45	-1.0	-39.47	362.34	6.66	-32.81
CC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020303369	1	45	-1.0	-39.44	362.39	6.67	-32.77
CC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020303370	0	42	-1.0	-41.74	337.86	5.71	-36.03
CC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020303370	1	42	-1.0	-41.78	337.80	5.69	-36.09
CC1CCC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020303371	0	49	-1.0	-40.63	390.53	8.64	-31.99
CC1CCC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020303371	1	49	-1.0	-40.61	390.57	8.63	-31.98
CC1(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)NC(=O)NC1=O	REAL300020303372	0	48	-1.0	-47.50	391.42	1.89	-45.61
CC1(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)NC(=O)NC1=O	REAL300020303372	1	48	-1.0	-47.48	391.48	1.92	-45.56
CC1C2=CC=CC=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303373	0	46	-1.0	-41.39	366.92	7.77	-33.62
CC1C2=CC=CC=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303373	1	46	-1.0	-41.39	366.98	7.79	-33.60
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303374	0	43	-1.0	-42.58	349.52	7.81	-34.77
CC1C2=CC=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303374	1	43	-1.0	-42.60	349.46	7.78	-34.82
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020303375	0	55	-1.0	-42.55	431.44	10.83	-31.72
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020303375	1	55	-1.0	-42.60	431.50	10.84	-31.76
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020303376	0	52	-1.0	-43.85	414.79	10.19	-33.66
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020303376	1	52	-1.0	-43.88	414.85	10.21	-33.67
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020303377	0	58	-1.0	-40.89	427.83	10.03	-30.86
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020303377	1	58	-1.0	-40.87	427.89	10.05	-30.82
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020303378	0	55	-1.0	-42.21	414.07	9.58	-32.63
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020303378	1	55	-1.0	-42.20	414.13	9.61	-32.59
COC(=O)C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303379	0	46	-1.0	-48.51	382.95	7.25	-41.26
COC(=O)C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303379	1	46	-1.0	-48.52	383.01	7.28	-41.24
CC(=O)NC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303380	0	52	-1.0	-46.99	417.40	5.06	-41.93
CC(=O)NC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303380	1	52	-1.0	-46.99	417.46	5.07	-41.92
CC(=O)NC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303381	0	49	-1.0	-47.71	395.60	4.27	-43.44
CC(=O)NC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303381	1	49	-1.0	-47.70	395.65	4.30	-43.40
C=CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303382	0	43	-1.0	-38.84	365.00	7.78	-31.06
C=CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303382	1	43	-1.0	-38.89	365.06	7.79	-31.10
C=CCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303383	0	40	-1.0	-40.06	330.57	6.82	-33.24
C=CCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303383	1	40	-1.0	-40.08	330.52	6.80	-33.28
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303384	0	47	-1.0	-41.80	379.33	9.02	-32.78
C=CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303384	1	47	-1.0	-41.80	379.38	9.01	-32.79
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303385	0	46	-1.0	-41.53	394.32	8.03	-33.50
C=CCN(CCC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303385	1	46	-1.0	-41.55	394.38	8.04	-33.51
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303386	0	43	-1.0	-43.56	369.23	7.56	-36.00
C=CCN(CCC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303386	1	43	-1.0	-43.55	369.17	7.53	-36.02
CC1CN(C2=CC=CC=C2F)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303387	0	48	-1.0	-43.84	393.09	6.95	-36.89
CC1CN(C2=CC=CC=C2F)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303387	1	48	-1.0	-43.86	393.15	6.98	-36.88
CN1C=NN=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303388	0	45	-1.0	-47.11	373.03	8.01	-39.10
CN1C=NN=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303388	1	45	-1.0	-47.10	373.09	8.03	-39.07
CN1C=NN=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303389	0	42	-1.0	-46.52	352.29	7.28	-39.24
CN1C=NN=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303389	1	42	-1.0	-46.55	352.23	7.26	-39.29
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020303390	0	47	-1.0	-44.44	385.31	7.08	-37.36
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020303390	1	47	-1.0	-44.42	385.26	7.05	-37.37
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020303391	0	55	0.0	-63.24	421.58	9.95	-53.29
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020303391	1	55	0.0	-64.73	415.67	10.06	-54.67
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020303391	1	55	0.0	-63.24	421.63	9.98	-53.26
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020303391	1	55	0.0	-64.76	415.73	10.09	-54.67
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020303392	0	46	-1.0	-42.60	386.75	9.13	-33.47
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020303392	1	46	-1.0	-42.61	386.80	9.14	-33.47
CC12CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC1C2(Cl)Cl	REAL300020303393	0	43	-1.0	-39.19	356.46	7.53	-31.66
CC12CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC1C2(Cl)Cl	REAL300020303393	1	43	-1.0	-39.23	356.52	7.54	-31.69
CC12CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC1C2(Cl)Cl	REAL300020303394	0	40	-1.0	-41.27	334.92	6.74	-34.53
CC12CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC1C2(Cl)Cl	REAL300020303394	1	40	-1.0	-41.29	334.97	6.76	-34.53
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303395	0	47	-1.0	-46.29	385.59	9.02	-37.27
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303395	1	47	-1.0	-46.33	385.65	9.04	-37.29
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303396	0	44	-1.0	-49.33	375.74	8.31	-41.02
CN(CCC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303396	1	44	-1.0	-49.38	375.78	8.34	-41.04
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020303397	0	40	-1.0	-43.91	326.01	9.94	-33.97
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020303397	1	40	-1.0	-43.93	326.07	9.95	-33.98
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020303398	0	37	-1.0	-46.15	304.23	9.35	-36.80
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020303398	1	37	-1.0	-46.15	304.17	9.34	-36.81
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020303399	0	44	-1.0	-45.16	358.42	12.07	-33.09
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020303399	1	44	-1.0	-45.13	358.45	12.06	-33.07
CC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303400	0	42	-1.0	-41.81	353.19	8.98	-32.83
CC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303400	1	42	-1.0	-41.80	353.24	8.99	-32.81
CC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303401	0	39	-1.0	-46.41	335.11	8.34	-38.07
CC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303401	1	39	-1.0	-46.44	335.06	8.31	-38.13
CC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C=C1	REAL300020303402	0	46	-1.0	-42.75	384.44	11.02	-31.73
CC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C=C1	REAL300020303402	1	46	-1.0	-42.78	384.47	11.01	-31.77
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020303403	0	42	-1.0	-41.36	349.24	8.84	-32.52
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020303403	1	42	-1.0	-41.36	349.30	8.86	-32.50
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020303404	0	39	-1.0	-46.36	331.73	8.20	-38.16
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020303404	1	39	-1.0	-46.35	331.67	8.17	-38.18
CC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=C1	REAL300020303405	0	46	-1.0	-42.50	383.66	11.01	-31.49
CC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=C1	REAL300020303405	1	46	-1.0	-42.50	383.70	11.00	-31.50
CC1=CC(C)=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020303406	0	45	-1.0	-41.60	370.73	9.49	-32.11
CC1=CC(C)=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020303406	1	45	-1.0	-41.60	370.79	9.51	-32.09
CC1=CC(C)=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020303407	0	42	-1.0	-46.53	356.49	8.98	-37.55
CC1=CC(C)=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020303407	1	42	-1.0	-46.53	356.43	8.96	-37.57
CC1=CC(C)=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=C1	REAL300020303408	0	49	-1.0	-42.75	405.75	11.66	-31.09
CC1=CC(C)=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=C1	REAL300020303408	1	49	-1.0	-42.78	405.78	11.65	-31.13
CC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1C	REAL300020303409	0	45	-1.0	-40.10	361.35	10.70	-29.40
CC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1C	REAL300020303409	1	45	-1.0	-40.12	361.41	10.72	-29.40
CC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1C	REAL300020303410	0	42	-1.0	-41.71	333.43	10.03	-31.68
CC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1C	REAL300020303410	1	42	-1.0	-41.69	333.37	10.00	-31.69
CC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=C1C	REAL300020303411	0	49	-1.0	-41.23	388.05	12.62	-28.61
CC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=C1C	REAL300020303411	1	49	-1.0	-41.23	388.07	12.61	-28.62
CC(C)C1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020303412	0	48	-1.0	-40.94	388.04	10.08	-30.86
CC(C)C1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020303412	1	48	-1.0	-40.89	388.10	10.09	-30.80
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020303413	0	45	-1.0	-45.74	370.53	9.44	-36.30
CC(C)C1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020303413	1	45	-1.0	-45.73	370.48	9.42	-36.31
CC(C)(C)C1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303414	0	52	-1.0	-43.53	401.69	12.27	-31.26
CC(C)(C)C1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303414	1	52	-1.0	-43.52	401.75	12.29	-31.23
CC(C)(C)C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303415	0	49	-1.0	-45.58	379.66	11.76	-33.82
CC(C)(C)C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303415	1	49	-1.0	-45.54	379.60	11.74	-33.80
CC1=CC2=C(C=C1C)N(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020303416	0	46	-1.0	-44.36	363.85	11.15	-33.21
CC1=CC2=C(C=C1C)N(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020303416	1	46	-1.0	-44.37	363.91	11.17	-33.20
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020303417	0	43	-1.0	-46.39	341.81	10.64	-35.75
CC1=CC2=C(C=C1C)N(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020303417	1	43	-1.0	-46.41	341.76	10.62	-35.79
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020303418	0	50	-1.0	-42.24	391.60	12.31	-29.93
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020303418	1	50	-1.0	-42.22	391.65	12.33	-29.89
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020303419	0	47	-1.0	-44.94	370.16	11.55	-33.39
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020303419	1	47	-1.0	-44.93	370.10	11.53	-33.40
CCC1(CC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2=CC=CC=C21	REAL300020303420	0	52	-1.0	-42.72	398.05	12.00	-30.72
CCC1(CC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2=CC=CC=C21	REAL300020303420	1	52	-1.0	-42.68	398.11	12.02	-30.66
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2=CC=CC=C21	REAL300020303421	0	49	-1.0	-45.24	376.55	11.46	-33.78
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2=CC=CC=C21	REAL300020303421	1	49	-1.0	-45.22	376.49	11.44	-33.78
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303422	0	43	-1.0	-43.88	347.48	10.61	-33.27
CC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303422	1	43	-1.0	-43.85	347.53	10.62	-33.23
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303423	0	40	-1.0	-46.20	325.61	10.02	-36.18
CC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303423	1	40	-1.0	-46.20	325.57	10.00	-36.20
CC1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303424	0	47	-1.0	-45.06	379.81	12.73	-32.33
CC1=CC=C2C(=C1)CCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303424	1	47	-1.0	-45.03	379.86	12.73	-32.30
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020303425	0	47	-1.0	-46.61	382.91	12.83	-33.78
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020303425	1	47	-1.0	-46.58	382.86	12.81	-33.77
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2=CC=CC=C21	REAL300020303426	0	49	-1.0	-42.75	379.24	11.51	-31.24
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2=CC=CC=C21	REAL300020303426	1	49	-1.0	-42.73	379.30	11.53	-31.20
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2=CC=CC=C21	REAL300020303427	0	46	-1.0	-44.72	357.45	10.96	-33.76
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2=CC=CC=C21	REAL300020303427	1	46	-1.0	-44.77	357.38	10.95	-33.82
CC(C)C1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303428	0	48	-1.0	-41.64	391.96	10.22	-31.42
CC(C)C1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303428	1	48	-1.0	-41.63	392.02	10.24	-31.39
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303429	0	45	-1.0	-46.60	373.90	9.58	-37.02
CC(C)C1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303429	1	45	-1.0	-46.60	373.84	9.56	-37.04
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020303430	0	47	-1.0	-45.14	380.72	12.92	-32.22
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020303430	1	47	-1.0	-45.12	380.66	12.89	-32.23
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020303431	0	44	-1.0	-43.25	357.99	11.26	-31.99
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020303431	1	44	-1.0	-43.23	358.04	11.28	-31.95
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020303432	0	41	-1.0	-45.66	336.17	10.67	-34.99
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020303432	1	41	-1.0	-45.65	336.10	10.65	-35.00
COC1=CC(OC)=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020303433	0	47	-1.0	-44.30	386.87	6.76	-37.54
COC1=CC(OC)=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020303433	1	47	-1.0	-44.30	386.92	6.78	-37.52
COC1=CC(OC)=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020303434	0	44	-1.0	-49.95	372.63	6.26	-43.69
COC1=CC(OC)=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020303434	1	44	-1.0	-49.92	372.58	6.23	-43.69
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020303435	0	47	-1.0	-42.85	370.06	11.58	-31.27
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020303435	1	47	-1.0	-42.90	370.12	11.59	-31.31
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020303436	0	44	-1.0	-45.29	351.07	11.10	-34.19
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020303436	1	44	-1.0	-45.30	351.01	11.09	-34.21
CC(C)(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2=CC=CC=C21	REAL300020303437	0	52	-1.0	-42.36	397.45	11.91	-30.45
CC(C)(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2=CC=CC=C21	REAL300020303437	1	52	-1.0	-42.35	397.53	11.93	-30.42
CC(C)(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2=CC=CC=C21	REAL300020303438	0	49	-1.0	-45.44	372.37	11.22	-34.22
CC(C)(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2=CC=CC=C21	REAL300020303438	1	49	-1.0	-45.49	372.30	11.20	-34.29
CC(C)OC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303439	0	49	-1.0	-43.22	403.57	9.21	-34.01
CC(C)OC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303439	1	49	-1.0	-43.23	403.63	9.23	-34.00
CC(C)OC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303440	0	46	-1.0	-48.30	382.99	8.50	-39.80
CC(C)OC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303440	1	46	-1.0	-48.29	382.93	8.48	-39.81
OCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303441	0	49	-1.0	-41.34	394.76	4.99	-36.35
OCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303441	1	49	-1.0	-41.32	394.81	5.00	-36.32
OCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303442	0	46	-1.0	-43.80	373.25	4.19	-39.61
OCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303442	1	46	-1.0	-43.82	373.31	4.22	-39.60
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020303443	0	43	-1.0	-41.66	365.85	7.99	-33.67
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020303443	1	43	-1.0	-41.65	365.91	8.00	-33.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020303444	0	40	-1.0	-43.38	345.32	7.15	-36.23
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020303444	1	40	-1.0	-43.36	345.37	7.19	-36.17
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020303445	0	43	-1.0	-42.41	355.52	7.54	-34.87
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020303445	1	43	-1.0	-42.39	355.58	7.56	-34.83
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020303446	0	40	-1.0	-43.94	335.05	6.74	-37.20
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020303446	1	40	-1.0	-43.89	334.99	6.71	-37.18
CC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=O)C=C1	REAL300020303447	0	50	-1.0	-49.97	413.40	7.50	-42.47
CC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=O)C=C1	REAL300020303447	1	50	-1.0	-49.99	413.46	7.51	-42.48
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=O)C=C1	REAL300020303448	0	47	-1.0	-42.85	398.43	7.63	-35.22
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=O)C=C1	REAL300020303448	1	47	-1.0	-42.86	398.49	7.66	-35.20
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2=CC=CC=C21	REAL300020303449	0	49	-1.0	-39.21	397.12	9.54	-29.67
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2=CC=CC=C21	REAL300020303449	1	49	-1.0	-39.23	397.18	9.55	-29.68
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2=CC=CC=C21	REAL300020303450	0	46	-1.0	-43.70	352.68	7.20	-36.50
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2=CC=CC=C21	REAL300020303450	1	46	-1.0	-43.68	352.63	7.18	-36.50
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=N1	REAL300020303451	0	42	-1.0	-42.19	358.56	5.98	-36.21
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=N1	REAL300020303451	1	42	-1.0	-42.18	358.61	5.99	-36.19
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=N1	REAL300020303452	0	39	-1.0	-42.48	331.11	5.35	-37.13
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=N1	REAL300020303452	1	39	-1.0	-42.43	331.05	5.33	-37.10
CC1=NN2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CC2=N1	REAL300020303453	0	46	-1.0	-43.99	376.09	8.05	-35.94
CC1=NN2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CC2=N1	REAL300020303453	1	46	-1.0	-43.95	376.13	8.03	-35.92
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCC1	REAL300020303454	0	43	-1.0	-41.54	350.24	8.52	-33.02
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCC1	REAL300020303454	1	43	-1.0	-41.54	350.28	8.51	-33.03
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCS(=O)(=O)CC1	REAL300020303455	0	45	-1.0	-48.04	370.06	3.16	-44.88
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCS(=O)(=O)CC1	REAL300020303455	1	45	-1.0	-48.02	370.12	3.17	-44.85
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCS(=O)(=O)CC1	REAL300020303456	0	42	-1.0	-48.54	351.29	2.73	-45.81
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCS(=O)(=O)CC1	REAL300020303456	1	42	-1.0	-48.54	351.34	2.76	-45.78
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020303457	0	50	-1.0	-39.46	395.92	9.90	-29.56
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020303457	1	50	-1.0	-39.47	395.98	9.91	-29.56
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020303458	0	47	-1.0	-41.57	380.89	9.18	-32.39
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020303458	1	47	-1.0	-41.55	380.84	9.15	-32.40
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2CCCCC12	REAL300020303459	0	49	-1.0	-40.72	373.94	8.12	-32.60
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2CCCCC12	REAL300020303459	1	49	-1.0	-40.70	374.00	8.14	-32.56
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2CCCCC12	REAL300020303460	0	46	-1.0	-42.58	363.04	7.69	-34.89
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2CCCCC12	REAL300020303460	1	46	-1.0	-42.59	363.10	7.71	-34.88
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C2CCCCC12	REAL300020303461	0	53	-1.0	-41.76	397.47	9.72	-32.04
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C2CCCCC12	REAL300020303461	1	53	-1.0	-41.74	397.50	9.71	-32.03
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303462	0	49	-1.0	-40.41	394.33	8.76	-31.65
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303462	1	49	-1.0	-40.43	394.39	8.77	-31.66
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303463	0	46	-1.0	-42.61	378.71	8.92	-33.69
CC1CC(C2=CC=CC=C2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303463	1	46	-1.0	-42.67	378.74	8.95	-33.72
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020303464	0	49	-1.0	-42.17	402.83	9.12	-33.05
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020303464	1	49	-1.0	-42.15	402.88	9.13	-33.02
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020303465	0	46	-1.0	-42.69	395.23	9.26	-33.43
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020303465	1	46	-1.0	-42.64	395.28	9.29	-33.35
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303466	0	51	-1.0	-39.57	377.81	9.06	-30.51
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303466	1	51	-1.0	-39.56	377.87	9.07	-30.49
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303467	0	48	-1.0	-39.46	354.77	8.53	-30.93
C[C@@H](C1CCCCC1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303467	1	48	-1.0	-39.49	354.83	8.54	-30.95
C[C@@H](C1CCCCC1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303468	0	55	-1.0	-42.02	415.20	10.64	-31.38
C[C@@H](C1CCCCC1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303468	1	55	-1.0	-42.02	415.23	10.63	-31.39
CC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303469	0	40	-1.0	-38.85	334.88	6.80	-32.05
CC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303469	1	40	-1.0	-38.84	334.94	6.81	-32.03
CC1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020303470	0	44	-1.0	-41.04	352.46	8.84	-32.20
CC1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020303470	1	44	-1.0	-41.01	352.50	8.83	-32.18
CC1SCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1C	REAL300020303471	0	43	-1.0	-38.66	354.20	6.30	-32.36
CC1SCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1C	REAL300020303471	1	43	-1.0	-38.64	354.26	6.32	-32.32
CC1SCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1C	REAL300020303472	0	40	-1.0	-40.26	336.08	5.35	-34.91
CC1SCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1C	REAL300020303472	1	40	-1.0	-40.26	336.13	5.38	-34.88
CC1SCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1C	REAL300020303473	0	47	-1.0	-40.47	382.37	8.25	-32.22
CC1SCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1C	REAL300020303473	1	47	-1.0	-40.41	382.41	8.24	-32.17
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303474	0	42	-1.0	-39.42	343.23	6.51	-32.91
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303474	1	42	-1.0	-39.39	343.29	6.52	-32.87
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303475	0	46	-1.0	-40.93	370.88	8.56	-32.37
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303475	1	46	-1.0	-40.92	370.91	8.54	-32.38
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCC(C)(C)CC1	REAL300020303476	0	51	-1.0	-39.82	389.18	7.48	-32.34
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCC(C)(C)CC1	REAL300020303476	1	51	-1.0	-39.87	389.24	7.49	-32.38
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCC(C)(C)CC1	REAL300020303477	0	48	-1.0	-40.09	361.26	7.24	-32.85
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCC(C)(C)CC1	REAL300020303477	1	48	-1.0	-40.15	361.33	7.26	-32.89
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCC(C)(C)CC1	REAL300020303478	0	55	-1.0	-40.74	418.16	9.55	-31.19
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCC(C)(C)CC1	REAL300020303478	1	55	-1.0	-40.71	418.21	9.54	-31.17
C#CCN(CC#CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303479	0	39	-1.0	-40.53	340.87	7.50	-33.03
C#CCN(CC#CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303479	1	39	-1.0	-40.52	340.92	7.52	-33.00
C#CCN(CC#CC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303480	0	36	-1.0	-41.77	325.96	6.64	-35.13
C#CCN(CC#CC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303480	1	36	-1.0	-41.86	326.49	6.64	-35.22
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303481	0	43	-1.0	-41.85	370.58	9.59	-32.26
C#CCN(CC#CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303481	1	43	-1.0	-41.74	371.77	9.62	-32.12
CC1=C(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303482	0	43	-1.0	-39.89	343.55	6.83	-33.06
CC1=C(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303482	1	43	-1.0	-39.95	343.61	6.84	-33.11
CC1=C(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303483	0	40	-1.0	-42.25	322.04	6.05	-36.20
CC1=C(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303483	1	40	-1.0	-42.28	321.97	6.03	-36.25
CC1=C(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020303484	0	47	-1.0	-40.85	369.73	9.40	-31.45
CC1=C(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020303484	1	47	-1.0	-40.83	369.76	9.40	-31.43
CCN(CC1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303485	0	45	-1.0	-38.88	362.24	7.07	-31.81
CCN(CC1CCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303485	1	45	-1.0	-38.83	362.29	7.09	-31.74
CCN(CC1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303486	0	42	-1.0	-42.16	332.81	6.29	-35.87
CCN(CC1CCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303486	1	42	-1.0	-42.14	332.86	6.29	-35.85
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303487	0	49	-1.0	-40.37	392.22	9.06	-31.31
CCN(CC1CCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303487	1	49	-1.0	-40.39	392.26	9.05	-31.34
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020303488	0	44	-1.0	-40.80	326.50	5.85	-34.95
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020303488	1	44	-1.0	-40.81	326.56	5.86	-34.95
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020303489	0	41	-1.0	-42.86	304.71	5.31	-37.55
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020303489	1	41	-1.0	-42.89	304.76	5.34	-37.55
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020303490	0	48	-1.0	-41.19	372.78	9.43	-31.76
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020303490	1	48	-1.0	-41.15	372.82	9.42	-31.73
CSCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303491	0	39	-1.0	-41.25	336.37	6.31	-34.94
CSCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303491	1	39	-1.0	-41.24	336.43	6.32	-34.92
CSCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303492	0	36	-1.0	-41.10	308.49	5.68	-35.42
CSCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303492	1	36	-1.0	-41.16	308.55	5.69	-35.47
CSCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303493	0	43	-1.0	-41.76	372.02	8.22	-33.54
CSCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303493	1	43	-1.0	-41.73	372.05	8.22	-33.51
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCN(C2=CC=CC=C2)C1	REAL300020303494	0	54	-1.0	-40.83	413.38	8.35	-32.48
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCN(C2=CC=CC=C2)C1	REAL300020303494	1	54	-1.0	-40.83	413.44	8.36	-32.47
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCN(C2=CC=CC=C2)C1	REAL300020303495	0	51	-1.0	-40.62	404.06	7.76	-32.86
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCCN(C2=CC=CC=C2)C1	REAL300020303495	1	51	-1.0	-40.65	404.12	7.78	-32.87
CC1=CN=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)S1	REAL300020303496	0	47	-1.0	-40.55	402.22	6.35	-34.20
CC1=CN=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)S1	REAL300020303496	1	47	-1.0	-40.49	402.16	6.33	-34.16
CC1=CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)S1	REAL300020303497	0	44	-1.0	-42.88	380.73	5.57	-37.31
CC1=CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)S1	REAL300020303497	1	44	-1.0	-42.88	380.68	5.55	-37.33
COC1=CC=CC(C2CC(C)CN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020303498	0	50	-1.0	-46.04	401.63	8.45	-37.59
COC1=CC=CC(C2CC(C)CN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020303498	1	50	-1.0	-46.07	401.69	8.46	-37.61
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020303499	0	49	-1.0	-41.78	401.87	10.35	-31.43
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020303499	1	49	-1.0	-41.78	401.92	10.36	-31.42
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020303500	0	46	-1.0	-43.03	381.87	9.67	-33.36
CC1CC(C2=CC=CC=C2F)N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020303500	1	46	-1.0	-43.11	381.94	9.70	-33.41
CC(CC1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303501	0	48	-1.0	-41.70	395.24	10.01	-31.69
CC(CC1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303501	1	48	-1.0	-41.73	395.30	10.02	-31.71
CC(CC1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303502	0	45	-1.0	-41.59	371.95	9.48	-32.11
CC(CC1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303502	1	45	-1.0	-41.60	372.00	9.50	-32.10
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303503	0	48	-1.0	-38.73	364.60	8.09	-30.64
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303503	1	48	-1.0	-38.68	364.66	8.11	-30.57
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303504	0	45	-1.0	-40.88	352.04	7.37	-33.51
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303504	1	45	-1.0	-40.84	352.10	7.39	-33.45
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020303505	0	52	-1.0	-40.27	396.57	10.37	-29.90
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020303505	1	52	-1.0	-40.30	396.62	10.36	-29.94
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020303506	0	53	0.0	-72.68	414.40	9.61	-63.07
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020303506	1	53	0.0	-63.43	415.83	9.74	-53.69
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020303506	1	53	0.0	-72.72	414.45	9.64	-63.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020303506	1	53	0.0	-63.40	415.88	9.77	-53.63
CSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020303507	0	46	-1.0	-41.36	359.31	8.10	-33.26
CSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020303507	1	46	-1.0	-41.42	359.37	8.12	-33.30
CSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020303508	0	43	-1.0	-42.83	351.92	7.24	-35.59
CSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020303508	1	43	-1.0	-42.83	351.98	7.25	-35.58
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC(C)C2=C1	REAL300020303509	0	50	-1.0	-42.47	390.66	8.17	-34.30
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC(C)C2=C1	REAL300020303509	1	50	-1.0	-42.50	390.71	8.19	-34.31
CC1(C)CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020303510	0	48	-1.0	-38.44	370.06	7.58	-30.86
CC1(C)CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020303510	1	48	-1.0	-38.43	370.11	7.59	-30.84
CC1(C)CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020303511	0	45	-1.0	-40.95	343.71	8.03	-32.92
CC1(C)CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020303511	1	45	-1.0	-40.89	343.77	8.06	-32.83
CC1(C)CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020303512	0	52	-1.0	-41.52	388.81	9.19	-32.33
CC1(C)CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020303512	1	52	-1.0	-41.44	388.83	9.18	-32.26
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020303513	0	47	-1.0	-41.66	367.44	6.35	-35.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020303513	1	47	-1.0	-41.69	367.50	6.37	-35.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020303514	0	44	-1.0	-43.39	346.11	5.00	-38.39
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020303514	1	44	-1.0	-43.41	346.16	5.03	-38.38
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCCO1	REAL300020303515	0	51	-1.0	-40.59	395.52	7.52	-33.07
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCCO1	REAL300020303515	1	51	-1.0	-40.59	395.55	7.51	-33.08
CC1=CC=CC(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020303516	0	50	-1.0	-41.72	409.59	10.34	-31.38
CC1=CC=CC(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020303516	1	50	-1.0	-41.70	409.64	10.35	-31.35
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020303517	0	47	-1.0	-44.31	388.13	9.55	-34.76
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020303517	1	47	-1.0	-44.32	388.18	9.58	-34.74
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCCC21	REAL300020303518	0	53	-1.0	-45.33	407.68	10.08	-35.25
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCCC21	REAL300020303518	1	53	-1.0	-45.33	407.74	10.10	-35.23
CC(C)(C)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303519	0	49	-1.0	-40.00	382.60	7.95	-32.05
CC(C)(C)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303519	1	49	-1.0	-39.98	382.66	7.96	-32.02
CC(C)(C)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303520	0	46	-1.0	-40.47	367.41	7.66	-32.81
CC(C)(C)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303520	1	46	-1.0	-40.46	367.47	7.68	-32.78
CC(C)(C)C1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020303521	0	53	-1.0	-40.89	401.18	9.85	-31.04
CC(C)(C)C1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020303521	1	53	-1.0	-40.86	401.22	9.84	-31.02
N#CC1=CC=C(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020303522	0	48	-1.0	-43.34	407.72	9.34	-34.00
N#CC1=CC=C(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020303522	1	48	-1.0	-43.34	407.78	9.35	-33.99
N#CC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020303523	0	45	-1.0	-44.31	388.88	9.55	-34.76
N#CC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020303523	1	45	-1.0	-44.33	388.94	9.58	-34.75
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020303524	0	50	-1.0	-39.55	379.42	6.30	-33.25
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020303524	1	50	-1.0	-39.52	379.48	6.31	-33.21
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020303525	0	47	-1.0	-41.55	361.59	5.64	-35.91
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020303525	1	47	-1.0	-41.55	361.65	5.66	-35.89
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2CCCCC2N1	REAL300020303526	0	47	-1.0	-44.59	372.74	3.88	-40.71
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2CCCCC2N1	REAL300020303526	1	47	-1.0	-44.60	372.80	3.90	-40.70
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2CCCCC2N1	REAL300020303527	0	44	-1.0	-44.07	355.57	3.44	-40.63
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2CCCCC2N1	REAL300020303527	1	44	-1.0	-44.09	355.64	3.46	-40.63
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020303528	0	49	0.0	-63.71	371.56	8.64	-55.07
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020303528	1	49	0.0	-62.14	375.54	7.83	-54.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020303528	1	49	0.0	-63.72	371.61	8.65	-55.07
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020303528	1	49	0.0	-62.19	375.60	7.85	-54.34
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020303529	0	46	0.0	-60.90	357.37	7.55	-53.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020303529	1	46	0.0	-61.81	341.86	6.78	-55.03
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020303529	1	46	0.0	-60.92	357.43	7.57	-53.35
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020303529	1	46	0.0	-61.80	341.92	6.80	-55.00
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020303530	0	53	0.0	-68.30	411.25	10.40	-57.90
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020303530	1	53	0.0	-66.96	411.33	10.22	-56.74
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020303530	1	53	0.0	-68.29	411.27	10.37	-57.92
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020303530	1	53	0.0	-66.92	411.38	10.21	-56.71
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020303531	0	55	0.0	-64.89	410.23	9.39	-55.50
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020303531	1	55	0.0	-63.33	399.47	9.01	-54.32
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020303531	1	55	0.0	-64.92	410.17	9.37	-55.55
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020303531	1	55	0.0	-63.28	399.41	8.99	-54.29
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020303532	0	52	0.0	-62.75	380.12	8.25	-54.50
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020303532	1	52	0.0	-61.11	378.53	7.80	-53.31
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCCC2)CC1	REAL300020303532	1	52	0.0	-62.76	380.18	8.28	-54.48
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020303532	1	52	0.0	-61.08	378.59	7.83	-53.25
CC(C)COC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303533	0	53	-1.0	-42.49	427.55	7.68	-34.81
CC(C)COC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303533	1	53	-1.0	-42.48	427.60	7.71	-34.77
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020303534	0	46	-1.0	-39.44	356.45	6.75	-32.69
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020303534	1	46	-1.0	-39.48	356.50	6.77	-32.71
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCC1	REAL300020303535	0	43	-1.0	-41.97	334.85	6.44	-35.53
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCC1	REAL300020303535	1	43	-1.0	-41.98	334.89	6.46	-35.52
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020303536	0	50	-1.0	-41.76	384.69	9.20	-32.56
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020303536	1	50	-1.0	-41.69	384.72	9.19	-32.50
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303537	0	45	-1.0	-42.48	375.98	7.78	-34.70
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303537	1	45	-1.0	-42.50	376.04	7.80	-34.70
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303538	0	42	-1.0	-46.16	353.87	7.06	-39.10
CCN(CC1=C(F)C=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303538	1	42	-1.0	-46.13	353.94	7.08	-39.05
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300020303539	0	40	-1.0	-41.97	362.33	8.61	-33.36
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300020303539	1	40	-1.0	-41.99	362.38	8.64	-33.35
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020303540	0	47	-1.0	-42.50	386.26	10.09	-32.41
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020303540	1	47	-1.0	-42.47	386.20	10.08	-32.39
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020303541	0	52	-1.0	-38.99	392.46	9.68	-29.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020303541	1	52	-1.0	-38.99	392.52	9.69	-29.30
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020303542	0	49	-1.0	-42.07	370.97	8.89	-33.18
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020303542	1	49	-1.0	-42.10	371.03	8.91	-33.19
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020303543	0	44	-1.0	-45.64	375.70	8.66	-36.98
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020303543	1	44	-1.0	-45.68	375.76	8.68	-37.00
CC1=CC(C)=CC(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020303544	0	53	-1.0	-42.73	429.73	10.26	-32.47
CC1=CC(C)=CC(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020303544	1	53	-1.0	-42.75	429.79	10.27	-32.48
CC1=CC(C)=CC(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020303545	0	50	-1.0	-44.28	407.81	9.76	-34.52
CC1=CC(C)=CC(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020303545	1	50	-1.0	-44.27	407.87	9.80	-34.47
CCC1=CC=C(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020303546	0	53	-1.0	-38.94	438.56	11.27	-27.67
CCC1=CC=C(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020303546	1	53	-1.0	-38.99	438.62	11.29	-27.70
CCC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020303547	0	50	-1.0	-40.05	413.05	10.54	-29.51
CCC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020303547	1	50	-1.0	-40.02	413.10	10.55	-29.47
C=CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020303548	0	40	-1.0	-39.77	334.54	6.64	-33.13
C=CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020303548	1	40	-1.0	-39.78	334.60	6.66	-33.12
C=CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CC1	REAL300020303549	0	44	-1.0	-41.31	364.29	8.74	-32.57
C=CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CC1	REAL300020303549	1	44	-1.0	-41.26	364.34	8.72	-32.54
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020303550	0	49	-1.0	-41.81	381.96	9.48	-32.33
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020303550	1	49	-1.0	-41.81	382.02	9.51	-32.30
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020303551	0	45	-1.0	-41.56	385.64	7.13	-34.43
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020303551	1	45	-1.0	-41.59	385.69	7.15	-34.44
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020303552	0	44	-1.0	-38.64	379.36	4.82	-33.82
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020303552	1	44	-1.0	-38.69	379.42	4.83	-33.86
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020303553	0	45	-1.0	-41.56	385.64	7.13	-34.43
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020303553	1	45	-1.0	-41.59	385.69	7.15	-34.44
N#CC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2CC2)C=C1	REAL300020303554	0	47	-1.0	-41.93	400.45	9.28	-32.65
N#CC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2CC2)C=C1	REAL300020303554	1	47	-1.0	-41.96	400.50	9.30	-32.66
N#CC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2CC2)C=C1	REAL300020303555	0	44	-1.0	-42.35	387.55	8.75	-33.60
N#CC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2CC2)C=C1	REAL300020303555	1	44	-1.0	-42.41	387.61	8.77	-33.64
COCC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)O1	REAL300020303556	0	50	-1.0	-45.14	409.65	7.28	-37.86
COCC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)O1	REAL300020303556	1	50	-1.0	-45.13	409.71	7.29	-37.84
COCC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)O1	REAL300020303557	0	47	-1.0	-45.05	392.90	6.65	-38.40
COCC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)O1	REAL300020303557	1	47	-1.0	-45.04	392.96	6.67	-38.37
COCC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020303558	0	49	-1.0	-41.69	369.34	6.16	-35.53
COCC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020303558	1	49	-1.0	-41.69	369.39	6.18	-35.51
COCC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020303559	0	46	-1.0	-43.60	355.11	6.19	-37.41
COCC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020303559	1	46	-1.0	-43.59	355.17	6.22	-37.37
CCC1C(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303560	0	45	-1.0	-39.26	354.77	6.42	-32.84
CCC1C(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303560	1	45	-1.0	-39.28	354.83	6.43	-32.85
CCC1C(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303561	0	42	-1.0	-41.48	333.28	5.63	-35.85
CCC1C(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303561	1	42	-1.0	-41.45	333.34	5.66	-35.79
CCC1C(C)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303562	0	49	-1.0	-40.61	382.44	8.39	-32.22
CCC1C(C)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303562	1	49	-1.0	-40.56	382.50	8.38	-32.18
COCC1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303563	0	44	-1.0	-41.69	360.48	5.62	-36.07
COCC1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303563	1	44	-1.0	-41.70	360.54	5.63	-36.07
COCC1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303564	0	41	-1.0	-42.11	339.11	5.43	-36.68
COCC1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303564	1	41	-1.0	-42.14	339.17	5.45	-36.69
COCC1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020303565	0	48	-1.0	-41.93	382.31	7.87	-34.06
COCC1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020303565	1	48	-1.0	-41.97	382.35	7.86	-34.11
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1C	REAL300020303566	0	45	-1.0	-40.27	347.98	7.40	-32.87
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1C	REAL300020303566	1	45	-1.0	-40.30	348.04	7.41	-32.89
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1C	REAL300020303567	0	42	-1.0	-43.38	328.30	6.59	-36.79
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1C	REAL300020303567	1	42	-1.0	-43.42	328.36	6.61	-36.81
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1C	REAL300020303568	0	49	-1.0	-41.56	377.53	9.35	-32.21
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1C	REAL300020303568	1	49	-1.0	-41.49	377.56	9.34	-32.15
CC1=CC(C)=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303569	0	49	-1.0	-39.59	399.07	9.58	-30.01
CC1=CC(C)=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303569	1	49	-1.0	-39.63	399.13	9.59	-30.04
CC1=CC(C)=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303570	0	46	-1.0	-42.12	371.54	8.94	-33.18
CC1=CC(C)=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303570	1	46	-1.0	-42.12	371.48	8.92	-33.20
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020303571	0	52	-1.0	-39.65	404.50	10.32	-29.33
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020303571	1	52	-1.0	-39.67	404.56	10.34	-29.33
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020303572	0	49	-1.0	-40.78	374.69	10.05	-30.73
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020303572	1	49	-1.0	-40.81	374.75	10.07	-30.74
COC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303573	0	50	-1.0	-43.16	404.39	9.19	-33.97
COC1=CC=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303573	1	50	-1.0	-43.14	404.44	9.21	-33.93
COC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303574	0	47	-1.0	-45.87	378.69	8.66	-37.21
COC1=CC=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303574	1	47	-1.0	-45.89	378.63	8.64	-37.25
CC1=CC=C(CC2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303575	0	52	-1.0	-41.45	409.40	9.71	-31.74
CC1=CC=C(CC2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303575	1	52	-1.0	-41.47	409.45	9.72	-31.75
CC1=CC=C(CC2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303576	0	49	-1.0	-42.47	392.76	9.07	-33.40
CC1=CC=C(CC2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303576	1	49	-1.0	-42.47	392.82	9.09	-33.38
CSCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303577	0	42	-1.0	-39.82	357.87	7.10	-32.72
CSCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303577	1	42	-1.0	-39.80	357.93	7.11	-32.69
CSCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303578	0	39	-1.0	-39.75	329.99	6.47	-33.28
CSCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303578	1	39	-1.0	-39.77	330.04	6.48	-33.29
CSCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303579	0	46	-1.0	-40.77	393.51	8.99	-31.78
CSCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303579	1	46	-1.0	-40.80	393.56	8.98	-31.82
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020303580	0	55	-1.0	-40.47	433.22	10.47	-30.00
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020303580	1	55	-1.0	-40.49	433.27	10.48	-30.01
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020303581	0	52	-1.0	-42.95	411.60	9.67	-33.28
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020303581	1	52	-1.0	-42.96	411.65	9.69	-33.27
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303582	0	50	-1.0	-41.49	417.70	7.86	-33.63
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303582	1	50	-1.0	-41.47	417.76	7.87	-33.60
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303583	0	47	-1.0	-43.59	389.78	6.64	-36.95
COCCN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303583	1	47	-1.0	-43.58	389.84	6.65	-36.93
CN(CC(=O)NC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303584	0	43	-1.0	-41.38	370.27	6.10	-35.28
CN(CC(=O)NC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303584	1	43	-1.0	-41.38	370.33	6.11	-35.27
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020303585	0	46	-1.0	-44.79	366.51	5.97	-38.82
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020303585	1	46	-1.0	-44.85	366.56	5.99	-38.86
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2=CC=CC=C21	REAL300020303586	0	48	-1.0	-38.61	381.62	6.53	-32.08
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2=CC=CC=C21	REAL300020303586	1	48	-1.0	-38.67	381.67	6.54	-32.13
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2=CC=CC=C21	REAL300020303587	0	45	-1.0	-41.42	356.24	6.44	-34.98
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2=CC=CC=C21	REAL300020303587	1	45	-1.0	-41.44	356.18	6.42	-35.02
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020303588	0	46	-1.0	-39.21	372.08	8.77	-30.44
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020303588	1	46	-1.0	-39.20	372.13	8.78	-30.42
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020303589	0	43	-1.0	-41.42	350.21	8.18	-33.24
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020303589	1	43	-1.0	-41.44	350.15	8.16	-33.28
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCOC1	REAL300020303590	0	40	-1.0	-40.05	322.37	4.17	-35.88
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCOC1	REAL300020303590	1	40	-1.0	-40.04	322.42	4.18	-35.86
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCOC1	REAL300020303591	0	44	-1.0	-42.02	350.12	6.21	-35.81
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCOC1	REAL300020303591	1	44	-1.0	-42.02	350.16	6.20	-35.82
CC(CC#N)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303592	0	39	-1.0	-46.31	318.60	6.05	-40.26
CC(CC#N)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303592	1	39	-1.0	-46.35	318.65	6.06	-40.29
CC(CC#N)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303593	0	43	-1.0	-47.60	354.85	8.29	-39.31
CC(CC#N)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303593	1	43	-1.0	-47.60	354.88	8.28	-39.32
N#CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303594	0	43	-1.0	-41.00	364.08	7.00	-34.00
N#CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303594	1	43	-1.0	-41.08	364.14	7.01	-34.07
N#CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303595	0	40	-1.0	-41.61	338.54	6.28	-35.33
N#CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303595	1	40	-1.0	-41.56	338.61	6.30	-35.26
N#CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303596	0	47	-1.0	-43.19	391.74	9.04	-34.15
N#CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303596	1	47	-1.0	-43.19	391.77	9.03	-34.16
COCCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303597	0	43	-1.0	-43.21	364.23	4.51	-38.70
COCCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303597	1	43	-1.0	-43.21	364.29	4.53	-38.68
COCCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303598	0	40	-1.0	-43.23	333.87	3.70	-39.53
COCCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303598	1	40	-1.0	-43.27	333.95	3.70	-39.57
COCCN(CCC#N)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303599	0	47	-1.0	-45.19	391.75	6.66	-38.53
COCCN(CCC#N)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303599	1	47	-1.0	-45.16	391.78	6.65	-38.51
CC(C)CCN(CCC#N)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303600	0	48	-1.0	-41.17	389.96	7.41	-33.76
CC(C)CCN(CCC#N)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303600	1	48	-1.0	-41.18	390.02	7.42	-33.76
CC(C)CCN(CCC#N)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303601	0	45	-1.0	-41.57	360.18	6.65	-34.92
CC(C)CCN(CCC#N)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303601	1	45	-1.0	-41.59	360.24	6.65	-34.94
CC(C)CCN(CCC#N)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303602	0	52	-1.0	-43.58	413.26	9.16	-34.42
CC(C)CCN(CCC#N)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303602	1	52	-1.0	-43.60	413.17	9.15	-34.45
N#CC1=CC=CC=C1N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303603	0	49	-1.0	-48.53	394.26	7.93	-40.60
N#CC1=CC=CC=C1N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303603	1	49	-1.0	-48.54	394.32	7.95	-40.59
O=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1	REAL300020303604	0	40	-1.0	-42.03	325.64	3.19	-38.84
O=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1	REAL300020303604	1	40	-1.0	-42.04	325.69	3.20	-38.84
O=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1	REAL300020303605	0	37	-1.0	-40.76	300.06	2.47	-38.29
O=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1	REAL300020303605	1	37	-1.0	-40.69	299.89	2.45	-38.24
O=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCN1	REAL300020303606	0	44	-1.0	-44.47	342.40	3.90	-40.57
O=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCN1	REAL300020303606	1	44	-1.0	-44.46	342.43	3.89	-40.57
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303607	0	52	-1.0	-41.19	417.34	7.94	-33.25
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303607	1	52	-1.0	-41.19	417.40	7.95	-33.24
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303608	0	49	-1.0	-41.72	398.76	8.13	-33.59
COC1=CC=CC=C1CC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303608	1	49	-1.0	-41.75	398.82	8.15	-33.60
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020303609	0	55	0.0	-68.62	431.42	9.43	-59.19
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020303609	1	55	0.0	-68.68	431.47	9.46	-59.22
CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020303610	0	46	-1.0	-39.46	378.41	8.94	-30.52
CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020303610	1	46	-1.0	-39.52	378.47	8.96	-30.56
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020303611	0	43	-1.0	-42.16	350.84	8.31	-33.85
CC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020303611	1	43	-1.0	-42.19	350.79	8.28	-33.91
CC(C1=CC=CS1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303612	0	42	-1.0	-39.04	350.19	7.35	-31.69
CC(C1=CC=CS1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303612	1	42	-1.0	-39.07	350.25	7.36	-31.71
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303613	0	39	-1.0	-41.59	331.39	6.70	-34.89
CC(C1=CC=CS1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303613	1	39	-1.0	-41.63	331.33	6.68	-34.95
CC(C1=CC=CS1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303614	0	46	-1.0	-40.67	377.82	9.29	-31.38
CC(C1=CC=CS1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303614	1	46	-1.0	-40.66	377.85	9.28	-31.38
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC1	REAL300020303615	0	41	-1.0	-40.98	334.35	8.19	-32.79
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC1	REAL300020303615	1	41	-1.0	-41.16	332.54	8.20	-32.96
CC(C1=CC=C(C(F)(F)F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303616	0	45	-1.0	-40.75	393.24	8.34	-32.41
CC(C1=CC=C(C(F)(F)F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303616	1	45	-1.0	-40.71	393.30	8.36	-32.35
OC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020303617	0	50	-1.0	-40.93	407.01	6.75	-34.18
OC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020303617	1	50	-1.0	-40.93	407.06	6.77	-34.16
OC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020303618	0	47	-1.0	-42.79	384.72	6.34	-36.45
OC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020303618	1	47	-1.0	-42.79	384.77	6.37	-36.42
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303619	0	48	-1.0	-42.78	396.25	8.48	-34.30
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303619	1	48	-1.0	-42.79	396.31	8.49	-34.30
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303620	0	45	-1.0	-44.02	370.29	7.75	-36.27
CCCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303620	1	45	-1.0	-44.01	370.35	7.76	-36.25
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303621	0	51	-1.0	-41.21	413.58	10.11	-31.10
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303621	1	51	-1.0	-41.19	413.64	10.13	-31.06
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303622	0	48	-1.0	-44.67	392.30	9.36	-35.31
CCN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303622	1	48	-1.0	-44.67	392.24	9.33	-35.34
CCN(CC1=CC=C(OC)C=C1OC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303623	0	50	-1.0	-42.09	408.11	6.78	-35.31
CCN(CC1=CC=C(OC)C=C1OC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303623	1	50	-1.0	-42.09	408.17	6.80	-35.29
CCC(CC)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303624	0	50	-1.0	-40.55	387.28	7.75	-32.80
CCC(CC)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303624	1	50	-1.0	-40.56	387.34	7.76	-32.80
CCC(CC)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303625	0	47	-1.0	-44.70	365.79	6.86	-37.84
CCC(CC)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303625	1	47	-1.0	-44.72	365.85	6.88	-37.84
CCC(CC)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303626	0	54	-1.0	-42.55	412.89	11.05	-31.50
CCC(CC)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303626	1	54	-1.0	-42.58	412.92	11.04	-31.54
O=C(C1=CC=CC=C1)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303627	0	50	-1.0	-46.87	387.96	7.71	-39.16
O=C(C1=CC=CC=C1)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303627	1	50	-1.0	-46.86	388.02	7.74	-39.12
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020303628	0	48	-1.0	-38.62	388.92	8.19	-30.43
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020303628	1	48	-1.0	-38.59	388.97	8.21	-30.38
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020303629	0	45	-1.0	-40.70	363.87	7.54	-33.16
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020303629	1	45	-1.0	-40.68	363.93	7.57	-33.11
CC(C)CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CC1	REAL300020303630	0	52	-1.0	-40.28	415.99	10.59	-29.69
CC(C)CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CC1	REAL300020303630	1	52	-1.0	-40.23	416.03	10.59	-29.64
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303631	0	46	-1.0	-40.34	378.18	8.51	-31.83
C=CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303631	1	46	-1.0	-40.33	378.24	8.52	-31.81
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303632	0	43	-1.0	-43.41	359.63	7.70	-35.71
C=CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303632	1	43	-1.0	-43.39	359.57	7.68	-35.71
CCOC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C(C)C)C=C1	REAL300020303633	0	52	-1.0	-41.23	416.03	8.14	-33.09
CCOC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C(C)C)C=C1	REAL300020303633	1	52	-1.0	-41.23	416.09	8.16	-33.07
COCCN(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303634	0	46	-1.0	-42.35	392.53	5.97	-36.38
COCCN(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303634	1	46	-1.0	-42.35	392.59	5.98	-36.37
COCCN(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303635	0	43	-1.0	-45.59	363.13	4.62	-40.97
COCCN(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303635	1	43	-1.0	-45.60	363.19	4.66	-40.94
COCCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303636	0	48	-1.0	-41.05	381.37	5.84	-35.21
COCCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303636	1	48	-1.0	-41.04	381.43	5.85	-35.19
COCCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303637	0	45	-1.0	-43.38	359.83	5.04	-38.34
COCCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303637	1	45	-1.0	-43.38	359.89	5.07	-38.31
COCCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303638	0	52	-1.0	-42.29	401.90	7.68	-34.61
COCCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303638	1	52	-1.0	-42.26	401.94	7.67	-34.59
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCC1	REAL300020303639	0	51	-1.0	-38.73	393.24	8.34	-30.39
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCC1	REAL300020303639	1	51	-1.0	-38.76	393.30	8.36	-30.40
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCC1	REAL300020303640	0	48	-1.0	-41.18	371.47	7.53	-33.65
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCCC1	REAL300020303640	1	48	-1.0	-41.23	371.52	7.56	-33.67
CC(C)CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCCC1	REAL300020303641	0	55	-1.0	-40.41	416.72	10.74	-29.67
CC(C)CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCCC1	REAL300020303641	1	55	-1.0	-40.42	416.76	10.73	-29.69
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303642	0	54	-1.0	-40.42	432.70	10.38	-30.04
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303642	1	54	-1.0	-40.45	432.76	10.39	-30.06
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303643	0	51	-1.0	-42.36	414.98	10.30	-32.06
CC(C)CN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303643	1	51	-1.0	-42.38	415.04	10.33	-32.05
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303644	0	51	-1.0	-41.35	405.06	10.04	-31.31
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303644	1	51	-1.0	-41.38	405.11	10.06	-31.32
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303645	0	48	-1.0	-44.14	393.06	9.19	-34.95
CC(C)CN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303645	1	48	-1.0	-44.14	393.10	9.21	-34.93
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303646	0	51	-1.0	-39.33	406.16	9.98	-29.35
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303646	1	51	-1.0	-39.37	406.22	9.99	-29.38
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303647	0	48	-1.0	-45.65	388.09	8.53	-37.12
CC(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303647	1	48	-1.0	-45.66	388.04	8.50	-37.16
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020303648	0	49	-1.0	-43.84	391.67	8.07	-35.77
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020303648	1	49	-1.0	-43.84	391.74	8.10	-35.74
CC(C)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCC1	REAL300020303649	0	54	-1.0	-38.80	412.38	8.74	-30.06
CC(C)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCC1	REAL300020303649	1	54	-1.0	-38.80	412.44	8.75	-30.05
CC(C)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCC1	REAL300020303650	0	51	-1.0	-41.50	381.32	8.78	-32.72
CC(C)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCCC1	REAL300020303650	1	51	-1.0	-41.52	381.38	8.81	-32.71
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303651	0	45	-1.0	-40.61	387.72	8.31	-32.30
CCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303651	1	45	-1.0	-40.68	387.78	8.32	-32.36
CCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303652	0	42	-1.0	-42.81	360.23	7.05	-35.76
CCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303652	1	42	-1.0	-42.82	360.29	7.08	-35.74
COC1=CC=CC=C1CN(CCO)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303653	0	50	-1.0	-41.48	413.88	4.51	-36.97
COC1=CC=CC=C1CN(CCO)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303653	1	50	-1.0	-41.49	413.94	4.53	-36.96
COC1=CC=CC=C1CN(CCO)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303654	0	47	-1.0	-42.61	396.55	3.66	-38.95
COC1=CC=CC=C1CN(CCO)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303654	1	47	-1.0	-42.63	396.60	3.68	-38.95
CC1COCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303655	0	40	-1.0	-40.38	328.08	4.00	-36.38
CC1COCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303655	1	40	-1.0	-40.39	328.14	4.01	-36.38
CC1COCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303656	0	44	-1.0	-41.92	358.19	6.23	-35.69
CC1COCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303656	1	44	-1.0	-41.92	358.07	6.23	-35.69
CC(C)CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C(C)C	REAL300020303657	0	47	-1.0	-39.82	357.18	6.26	-33.56
CC(C)CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C(C)C	REAL300020303657	1	47	-1.0	-39.78	357.24	6.27	-33.51
CC(C)CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C(C)C	REAL300020303658	0	44	-1.0	-42.34	335.79	5.51	-36.83
CC(C)CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C(C)C	REAL300020303658	1	44	-1.0	-42.32	335.74	5.48	-36.84
CC(C)CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C(C)C	REAL300020303659	0	51	-1.0	-41.27	386.45	8.21	-33.06
CC(C)CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C(C)C	REAL300020303659	1	51	-1.0	-41.21	386.52	8.21	-33.00
CCC1C2=C(CCN1C1=NN=C(CCC3=N[N-]N=N3)N1CCF)SC=C2	REAL300020303660	0	46	-1.0	-41.15	370.72	7.54	-33.61
CCC1C2=C(CCN1C1=NN=C(CCC3=NN=N[N-]3)N1CCF)SC=C2	REAL300020303660	1	46	-1.0	-41.15	370.78	7.55	-33.60
CCC1C2=C(CCN1C1=NN=C(CC3=NN=N[N-]3)N1CCF)SC=C2	REAL300020303661	0	43	-1.0	-42.99	348.49	7.09	-35.90
CCC1C2=C(CCN1C1=NN=C(CC3=N[N-]N=N3)N1CCF)SC=C2	REAL300020303661	1	43	-1.0	-42.96	348.43	7.08	-35.88
CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303662	0	44	-1.0	-39.71	348.78	6.47	-33.24
CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303662	1	44	-1.0	-39.78	348.84	6.49	-33.29
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303663	0	48	-1.0	-42.16	379.00	8.25	-33.91
CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303663	1	48	-1.0	-42.08	379.02	8.24	-33.84
CN(CC(=O)NC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303664	0	43	-1.0	-43.01	374.17	6.48	-36.53
CN(CC(=O)NC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303664	1	43	-1.0	-43.04	374.22	6.49	-36.55
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020303665	0	55	0.0	-67.62	411.74	9.51	-58.11
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020303665	1	55	0.0	-65.94	422.05	8.75	-57.19
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020303665	1	55	0.0	-67.65	411.80	9.55	-58.10
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020303665	1	55	0.0	-65.99	422.11	8.78	-57.21
CCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303666	0	44	-1.0	-39.38	340.25	7.24	-32.14
CCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303666	1	44	-1.0	-39.43	340.31	7.26	-32.17
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303667	0	48	-1.0	-40.85	376.07	9.48	-31.37
CCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303667	1	48	-1.0	-40.85	376.11	9.47	-31.38
OC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303668	0	44	-1.0	-44.25	360.72	4.56	-39.69
OC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303668	1	44	-1.0	-44.27	360.77	4.58	-39.69
OC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303669	0	41	-1.0	-46.54	339.30	3.79	-42.75
OC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303669	1	41	-1.0	-46.54	339.24	3.77	-42.77
CN(CC1=CC=CC=C1O)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303670	0	43	-1.0	-40.54	369.38	5.18	-35.36
CN(CC1=CC=CC=C1O)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303670	1	43	-1.0	-40.59	369.43	5.19	-35.40
CN(CC1=CC=CC=C1O)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303671	0	40	-1.0	-42.82	335.33	4.69	-38.13
CN(CC1=CC=CC=C1O)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303671	1	40	-1.0	-42.78	335.28	4.66	-38.12
CN(CC1=CC=CC=C1O)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303672	0	47	-1.0	-41.51	396.42	7.18	-34.33
CN(CC1=CC=CC=C1O)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303672	1	47	-1.0	-41.50	396.43	7.17	-34.33
C#CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCC2=CC=CC=C21	REAL300020303673	0	48	-1.0	-43.59	395.44	9.15	-34.44
C#CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCC2=CC=CC=C21	REAL300020303673	1	48	-1.0	-43.63	395.50	9.16	-34.47
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCC2=CC=CC=C21	REAL300020303674	0	45	-1.0	-43.44	382.93	8.52	-34.92
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCC2=CC=CC=C21	REAL300020303674	1	45	-1.0	-43.44	382.88	8.50	-34.94
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303675	0	48	-1.0	-41.39	389.56	8.67	-32.72
CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303675	1	48	-1.0	-41.40	389.62	8.68	-32.72
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303676	0	45	-1.0	-44.28	368.14	7.89	-36.39
CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303676	1	45	-1.0	-44.32	368.19	7.91	-36.41
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303677	0	49	-1.0	-41.12	396.61	7.12	-34.00
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303677	1	49	-1.0	-41.09	396.67	7.13	-33.96
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303678	0	46	-1.0	-43.54	379.73	7.45	-36.09
CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303678	1	46	-1.0	-43.58	379.79	7.48	-36.10
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020303679	0	48	-1.0	-45.22	407.61	7.65	-37.57
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020303679	1	48	-1.0	-45.22	407.67	7.67	-37.55
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020303680	0	45	-1.0	-44.96	384.73	7.15	-37.81
C#CC1=CC=CC(NC(=O)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020303680	1	45	-1.0	-44.95	384.79	7.16	-37.79
CC(C)C(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303681	0	52	-1.0	-44.37	399.74	7.25	-37.12
CC(C)C(=O)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303681	1	52	-1.0	-44.37	399.79	7.27	-37.10
CC(C)C(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303682	0	49	-1.0	-44.80	374.25	6.38	-38.42
CC(C)C(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303682	1	49	-1.0	-44.81	374.30	6.40	-38.41
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020303683	0	52	-1.0	-38.46	410.94	9.88	-28.58
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020303683	1	52	-1.0	-38.46	411.00	9.90	-28.56
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020303684	0	49	-1.0	-41.03	383.76	9.45	-31.58
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020303684	1	49	-1.0	-41.03	383.81	9.47	-31.56
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303685	0	54	0.0	-64.77	415.59	8.05	-56.72
CCC[NH+]1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303685	1	54	0.0	-64.82	415.64	8.07	-56.75
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303686	0	51	0.0	-59.61	388.30	7.22	-52.39
CCC[NH+]1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303686	1	51	0.0	-59.60	388.35	7.24	-52.36
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020303687	0	58	0.0	-60.98	410.78	9.79	-51.19
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020303687	1	58	0.0	-65.83	426.12	10.18	-55.65
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020303687	1	58	0.0	-61.00	410.83	9.82	-51.18
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020303687	1	58	0.0	-65.81	426.18	10.21	-55.60
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303688	0	50	-1.0	-40.94	407.69	7.81	-33.13
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303688	1	50	-1.0	-40.94	407.74	7.83	-33.11
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303689	0	47	-1.0	-42.76	386.28	7.17	-35.59
C=CCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303689	1	47	-1.0	-42.75	386.23	7.14	-35.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020303690	0	46	-1.0	-42.90	379.23	9.62	-33.28
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020303690	1	46	-1.0	-42.93	379.29	9.64	-33.29
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020303691	0	43	-1.0	-45.18	361.32	9.06	-36.12
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020303691	1	43	-1.0	-45.18	361.26	9.03	-36.15
COCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303692	0	49	-1.0	-41.59	394.89	3.98	-37.61
COCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303692	1	49	-1.0	-41.53	394.95	3.99	-37.54
COCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303693	0	46	-1.0	-43.78	373.39	3.19	-40.59
COCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303693	1	46	-1.0	-43.76	373.45	3.22	-40.54
CCC1(CC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303694	0	54	-1.0	-38.12	393.23	9.85	-28.27
CCC1(CC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303694	1	54	-1.0	-38.09	393.28	9.87	-28.22
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303695	0	51	-1.0	-40.12	362.25	8.13	-31.99
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303695	1	51	-1.0	-40.15	362.31	8.15	-32.00
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020303696	0	52	-1.0	-39.21	416.60	10.17	-29.04
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020303696	1	52	-1.0	-39.24	416.66	10.18	-29.06
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020303697	0	49	-1.0	-41.88	388.90	9.50	-32.38
CC(C)C1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020303697	1	49	-1.0	-41.88	388.96	9.52	-32.36
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303698	0	46	-1.0	-39.87	366.86	5.22	-34.65
C[C@H]1COC(C)(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303698	1	46	-1.0	-39.84	366.92	5.23	-34.61
C[C@H]1COC(C)(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303699	0	43	-1.0	-41.45	344.23	4.53	-36.92
C[C@H]1COC(C)(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303699	1	43	-1.0	-41.49	344.30	4.56	-36.93
C[C@H]1COC(C)(C)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303700	0	50	-1.0	-40.94	380.30	6.71	-34.23
C[C@H]1COC(C)(C)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303700	1	50	-1.0	-40.95	380.33	6.70	-34.25
C=CCC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCCC1(C)C	REAL300020303701	0	52	-1.0	-39.46	395.21	7.80	-31.66
C=CCC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCCC1(C)C	REAL300020303701	1	52	-1.0	-39.44	395.27	7.82	-31.62
C=CCC1N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCCC1(C)C	REAL300020303702	0	49	-1.0	-40.67	368.57	7.06	-33.61
C=CCC1N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCCC1(C)C	REAL300020303702	1	49	-1.0	-40.70	368.63	7.07	-33.63
CS(=O)(=O)C1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020303703	0	48	-1.0	-51.89	374.48	3.72	-48.17
CS(=O)(=O)C1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020303703	1	48	-1.0	-51.90	374.53	3.74	-48.16
CS(=O)(=O)C1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020303704	0	45	-1.0	-57.09	368.72	3.55	-53.54
CS(=O)(=O)C1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020303704	1	45	-1.0	-57.08	368.78	3.57	-53.51
CC1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020303705	0	40	-1.0	-39.46	327.60	6.67	-32.79
CC1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020303705	1	40	-1.0	-39.46	327.66	6.68	-32.78
CC1=CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020303706	0	44	-1.0	-40.83	350.58	8.54	-32.29
CC1=CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020303706	1	44	-1.0	-40.85	350.62	8.54	-32.31
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020303707	0	37	-1.0	-39.22	335.30	6.77	-32.45
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020303707	1	37	-1.0	-39.24	335.35	6.78	-32.46
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020303708	0	34	-1.0	-41.81	302.37	5.34	-36.47
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020303708	1	34	-1.0	-41.85	302.43	5.35	-36.50
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303709	0	49	-1.0	-38.73	380.52	6.25	-32.48
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303709	1	49	-1.0	-38.74	380.57	6.27	-32.47
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303710	0	46	-1.0	-40.93	359.04	5.47	-35.46
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303710	1	46	-1.0	-40.97	359.10	5.49	-35.48
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020303711	0	49	-1.0	-38.84	390.59	8.83	-30.01
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020303711	1	49	-1.0	-38.80	390.64	8.84	-29.96
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020303712	0	46	-1.0	-41.26	369.00	8.23	-33.03
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020303712	1	46	-1.0	-41.23	369.05	8.25	-32.98
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020303713	0	53	-1.0	-41.00	416.83	10.22	-30.78
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020303713	1	53	-1.0	-41.03	416.84	10.21	-30.82
CC1=C(Br)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303714	0	40	-1.0	-39.28	352.05	7.30	-31.98
CC1=C(Br)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303714	1	40	-1.0	-39.28	352.11	7.32	-31.96
CC1=C(Br)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303715	0	37	-1.0	-40.56	324.52	6.62	-33.94
CC1=C(Br)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303715	1	37	-1.0	-40.55	324.58	6.65	-33.90
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020303716	0	40	-1.0	-41.75	336.09	4.85	-36.90
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020303716	1	40	-1.0	-41.77	336.14	4.86	-36.91
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020303717	0	37	-1.0	-41.50	311.63	4.12	-37.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020303717	1	37	-1.0	-41.49	311.68	4.15	-37.34
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020303718	0	44	-1.0	-43.15	369.35	6.96	-36.19
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020303718	1	44	-1.0	-43.05	369.37	6.95	-36.10
CC(=O)NCCN(CC1=CSC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303719	0	46	-1.0	-46.95	408.13	5.11	-41.84
CC(=O)NCCN(CC1=CSC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303719	1	46	-1.0	-46.88	408.20	5.13	-41.75
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020303720	0	43	-1.0	-41.58	351.39	7.43	-34.15
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020303720	1	43	-1.0	-41.56	351.45	7.44	-34.12
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020303721	0	40	-1.0	-43.83	328.57	6.66	-37.17
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020303721	1	40	-1.0	-43.80	328.51	6.64	-37.16
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020303722	0	47	-1.0	-40.85	388.56	10.55	-30.30
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020303722	1	47	-1.0	-40.85	388.60	10.54	-30.31
CC12CC(CC(C)(C)C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020303723	0	52	-1.0	-39.36	385.77	9.28	-30.08
CC12CC(CC(C)(C)C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020303723	1	52	-1.0	-39.36	385.83	9.30	-30.06
CC12CC(CC(C)(C)C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020303724	0	49	-1.0	-43.10	367.44	8.08	-35.02
CC12CC(CC(C)(C)C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020303724	1	49	-1.0	-43.13	367.50	8.11	-35.02
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCS(=O)(=O)C1	REAL300020303725	0	42	-1.0	-50.94	354.23	2.31	-48.63
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCS(=O)(=O)C1	REAL300020303725	1	42	-1.0	-50.95	354.28	2.33	-48.62
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCS(=O)(=O)C1	REAL300020303726	0	39	-1.0	-46.56	325.36	2.23	-44.33
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCS(=O)(=O)C1	REAL300020303726	1	39	-1.0	-46.54	325.41	2.24	-44.30
OC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020303727	0	49	-1.0	-41.48	402.15	4.34	-37.14
OC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020303727	1	49	-1.0	-41.51	402.21	4.35	-37.16
OC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020303728	0	46	-1.0	-42.75	379.96	3.75	-39.00
OC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020303728	1	46	-1.0	-42.85	380.03	3.78	-39.07
CCCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303729	0	44	-1.0	-39.94	348.87	6.34	-33.60
CCCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303729	1	44	-1.0	-39.96	348.92	6.35	-33.61
CCCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303730	0	48	-1.0	-40.56	389.76	8.99	-31.57
CCCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303730	1	48	-1.0	-40.56	389.80	8.98	-31.58
C=CCN(CC=C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303731	0	40	-1.0	-38.73	337.99	6.87	-31.86
C=CCN(CC=C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303731	1	40	-1.0	-38.78	338.05	6.89	-31.89
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303732	0	44	-1.0	-40.68	373.24	8.36	-32.32
C=CCN(CC=C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303732	1	44	-1.0	-40.64	373.29	8.35	-32.29
COCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303733	0	46	-1.0	-39.82	381.63	3.57	-36.25
COCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303733	1	46	-1.0	-39.85	381.69	3.58	-36.27
COCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303734	0	43	-1.0	-44.85	352.01	2.47	-42.38
COCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303734	1	43	-1.0	-44.85	352.06	2.49	-42.36
COCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303735	0	50	-1.0	-43.79	401.66	5.29	-38.50
COCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303735	1	50	-1.0	-43.84	401.73	5.28	-38.56
OCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303736	0	46	-1.0	-40.57	371.44	4.85	-35.72
OCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303736	1	46	-1.0	-40.56	371.49	4.86	-35.70
OCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303737	0	43	-1.0	-43.83	352.30	4.22	-39.61
OCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303737	1	43	-1.0	-43.82	352.24	4.21	-39.61
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCCC1	REAL300020303738	0	48	-1.0	-39.70	375.90	6.83	-32.87
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCCC1	REAL300020303738	1	48	-1.0	-39.68	375.95	6.84	-32.84
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCCC1	REAL300020303739	0	45	-1.0	-42.10	354.41	5.99	-36.11
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCCCC1	REAL300020303739	1	45	-1.0	-42.11	354.45	6.01	-36.10
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCCCC1	REAL300020303740	0	52	-1.0	-41.19	403.62	8.67	-32.52
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCCCC1	REAL300020303740	1	52	-1.0	-41.22	403.65	8.66	-32.56
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303741	0	45	-1.0	-39.32	369.45	8.16	-31.16
CCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303741	1	45	-1.0	-39.31	369.51	8.18	-31.13
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303742	0	42	-1.0	-41.60	356.05	7.55	-34.05
CCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303742	1	42	-1.0	-41.56	355.99	7.53	-34.03
CCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303743	0	49	-1.0	-40.51	405.37	10.35	-30.16
CCN(CC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303743	1	49	-1.0	-40.46	405.41	10.33	-30.13
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020303744	0	45	-1.0	-38.80	343.33	8.28	-30.52
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020303744	1	45	-1.0	-38.79	343.39	8.30	-30.49
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020303745	0	42	-1.0	-40.69	321.44	7.67	-33.02
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020303745	1	42	-1.0	-40.70	321.49	7.68	-33.02
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCC1	REAL300020303746	0	49	-1.0	-40.10	375.30	10.38	-29.72
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCC1	REAL300020303746	1	49	-1.0	-40.04	375.34	10.36	-29.68
CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303747	0	44	-1.0	-39.67	351.16	6.43	-33.24
CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303747	1	44	-1.0	-39.66	351.21	6.45	-33.21
CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303748	0	48	-1.0	-41.39	375.10	8.19	-33.20
CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303748	1	48	-1.0	-41.34	375.17	8.18	-33.16
CCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303749	0	45	-1.0	-39.44	364.73	7.25	-32.19
CCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303749	1	45	-1.0	-39.41	364.78	7.26	-32.15
CCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303750	0	42	-1.0	-40.34	347.47	7.10	-33.24
CCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303750	1	42	-1.0	-40.34	347.53	7.11	-33.23
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303751	0	49	-1.0	-41.35	382.93	8.93	-32.42
CCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303751	1	49	-1.0	-41.39	383.00	8.93	-32.46
C=C(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303752	0	42	-1.0	-39.38	341.93	6.11	-33.27
C=C(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303752	1	42	-1.0	-39.39	341.99	6.12	-33.27
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303753	0	46	-1.0	-40.89	369.87	8.08	-32.81
C=C(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303753	1	46	-1.0	-40.84	369.89	8.07	-32.77
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303754	0	47	-1.0	-48.91	398.41	6.22	-42.69
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303754	1	47	-1.0	-48.97	398.47	6.24	-42.73
COCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303755	0	49	-1.0	-40.23	393.65	7.25	-32.98
COCCN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303755	1	49	-1.0	-40.23	393.71	7.27	-32.96
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303756	0	46	-1.0	-43.39	374.58	6.62	-36.77
COCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303756	1	46	-1.0	-43.37	374.51	6.59	-36.78
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020303757	0	45	-1.0	-48.61	388.98	7.88	-40.73
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NC2=CC=CC=C2S1	REAL300020303757	1	45	-1.0	-48.63	389.04	7.90	-40.73
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020303758	0	49	-1.0	-41.17	417.71	9.78	-31.39
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020303758	1	49	-1.0	-41.17	417.77	9.79	-31.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020303759	0	46	-1.0	-44.39	385.89	8.50	-35.89
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020303759	1	46	-1.0	-44.39	385.84	8.47	-35.92
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303760	0	50	-1.0	-42.79	392.52	6.94	-35.85
COC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303760	1	50	-1.0	-42.84	392.57	6.96	-35.88
COC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303761	0	47	-1.0	-43.83	374.43	6.64	-37.19
COC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303761	1	47	-1.0	-43.82	374.49	6.67	-37.15
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020303762	0	46	-1.0	-41.17	400.88	8.01	-33.16
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020303762	1	46	-1.0	-41.17	400.94	8.03	-33.14
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020303763	0	43	-1.0	-42.19	375.30	7.31	-34.88
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020303763	1	43	-1.0	-42.16	375.24	7.29	-34.87
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303764	0	42	-1.0	-38.10	382.07	8.06	-30.04
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303764	1	42	-1.0	-38.05	382.13	8.07	-29.98
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303765	0	39	-1.0	-40.64	363.50	7.47	-33.17
CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303765	1	39	-1.0	-40.64	363.56	7.48	-33.16
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303766	0	43	-1.0	-38.09	395.14	8.52	-29.57
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303766	1	43	-1.0	-38.10	395.19	8.53	-29.57
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303767	0	40	-1.0	-42.63	368.92	7.51	-35.12
C=CCN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303767	1	40	-1.0	-42.60	368.97	7.54	-35.06
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303768	0	43	-1.0	-38.78	378.12	7.91	-30.87
C=CCN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303768	1	43	-1.0	-38.78	378.18	7.92	-30.86
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303769	0	40	-1.0	-40.56	356.68	7.14	-33.42
C=CCN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303769	1	40	-1.0	-40.57	356.63	7.12	-33.45
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303770	0	48	-1.0	-41.69	400.74	6.87	-34.82
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303770	1	48	-1.0	-41.66	400.80	6.88	-34.78
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303771	0	45	-1.0	-46.40	371.16	5.61	-40.79
CCN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303771	1	45	-1.0	-46.39	371.21	5.63	-40.76
CC1=CC=C(CC(C)N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303772	0	51	-1.0	-41.17	399.92	10.16	-31.01
CC1=CC=C(CC(C)N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303772	1	51	-1.0	-41.16	399.98	10.18	-30.98
CC1=CC=C(CC(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303773	0	48	-1.0	-41.37	376.63	9.64	-31.73
CC1=CC=C(CC(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303773	1	48	-1.0	-41.36	376.69	9.65	-31.71
CC(C)C1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303774	0	55	-1.0	-40.27	423.27	9.58	-30.69
CC(C)C1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303774	1	55	-1.0	-40.23	423.32	9.59	-30.64
CC(C)C1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303775	0	52	-1.0	-41.56	405.20	9.27	-32.29
CC(C)C1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303775	1	52	-1.0	-41.57	405.26	9.30	-32.27
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020303776	0	43	-1.0	-39.57	371.46	8.44	-31.13
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020303776	1	43	-1.0	-39.56	371.52	8.46	-31.10
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020303777	0	40	-1.0	-41.51	343.85	7.79	-33.72
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020303777	1	40	-1.0	-41.52	343.90	7.81	-33.71
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020303778	0	40	-1.0	-41.86	358.19	7.77	-34.09
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020303778	1	40	-1.0	-41.84	358.24	7.79	-34.05
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303779	0	44	-1.0	-53.75	371.77	2.41	-51.34
CCN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303779	1	44	-1.0	-53.79	371.83	2.42	-51.37
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303780	0	41	-1.0	-56.75	350.36	1.64	-55.11
CCN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303780	1	41	-1.0	-56.76	350.43	1.66	-55.10
CS(=O)(=O)CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020303781	0	45	-1.0	-51.87	391.99	3.67	-48.20
CS(=O)(=O)CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020303781	1	45	-1.0	-51.90	392.05	3.68	-48.22
CS(=O)(=O)CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020303782	0	42	-1.0	-53.50	366.94	3.01	-50.49
CS(=O)(=O)CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020303782	1	42	-1.0	-53.47	367.00	3.04	-50.43
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL300020303783	0	40	-1.0	-39.44	366.01	8.58	-30.86
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL300020303783	1	40	-1.0	-39.41	366.07	8.60	-30.81
CCN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303784	0	45	-1.0	-39.95	358.98	7.11	-32.84
CCN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303784	1	45	-1.0	-39.94	359.04	7.13	-32.81
CCN(CCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303785	0	42	-1.0	-41.38	341.63	6.53	-34.85
CCN(CCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303785	1	42	-1.0	-41.38	341.68	6.55	-34.83
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303786	0	49	-1.0	-41.23	390.56	9.40	-31.83
CCN(CCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303786	1	49	-1.0	-41.13	390.62	9.40	-31.73
C[N@@H+]1CCCC1C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303787	0	53	0.0	-65.89	413.39	6.78	-59.11
C[N@H+]1CCCC1C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303787	1	53	0.0	-63.19	411.60	6.72	-56.47
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020303788	0	43	-1.0	-41.61	366.45	7.94	-33.67
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020303788	1	43	-1.0	-41.60	366.50	7.95	-33.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020303789	0	40	-1.0	-43.81	344.95	7.13	-36.68
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020303789	1	40	-1.0	-43.84	345.01	7.16	-36.68
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020303790	0	43	-1.0	-38.45	372.13	8.65	-29.80
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020303790	1	43	-1.0	-38.46	372.19	8.66	-29.80
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020303791	0	40	-1.0	-42.74	339.08	6.95	-35.79
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020303791	1	40	-1.0	-42.74	339.14	6.97	-35.77
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020303792	0	48	-1.0	-46.69	396.12	9.31	-37.38
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020303792	1	48	-1.0	-46.69	396.06	9.29	-37.40
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020303793	0	45	-1.0	-46.68	369.33	8.98	-37.70
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020303793	1	45	-1.0	-46.66	369.27	8.96	-37.70
CSCCC(C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303794	0	45	-1.0	-39.43	363.49	7.70	-31.73
CSCCC(C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303794	1	45	-1.0	-39.42	363.54	7.71	-31.71
CSCCC(C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303795	0	42	-1.0	-39.90	340.23	7.16	-32.74
CSCCC(C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303795	1	42	-1.0	-39.94	340.28	7.18	-32.76
CSCCC(C)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303796	0	49	-1.0	-40.95	399.74	9.94	-31.01
CSCCC(C)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303796	1	49	-1.0	-40.94	399.77	9.93	-31.01
CN(CC1=NOC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303797	0	38	-1.0	-43.65	327.66	5.37	-38.28
CN(CC1=NOC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303797	1	38	-1.0	-43.66	327.72	5.38	-38.28
CN(CC1=NOC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303798	0	35	-1.0	-45.11	312.61	4.48	-40.63
CN(CC1=NOC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303798	1	35	-1.0	-45.11	312.57	4.46	-40.65
CN(CC1=NOC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303799	0	42	-1.0	-45.64	351.54	7.27	-38.37
CN(CC1=NOC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303799	1	42	-1.0	-45.66	351.57	7.26	-38.40
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303800	0	49	-1.0	-40.89	407.40	9.80	-31.09
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303800	1	49	-1.0	-40.90	407.46	9.82	-31.08
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303801	0	46	-1.0	-43.00	385.15	9.01	-33.99
CC1CC(C2=CC=C(F)C=C2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303801	1	46	-1.0	-43.00	385.21	9.04	-33.96
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303802	0	55	0.0	-65.01	415.33	9.95	-55.06
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303802	1	55	0.0	-63.57	418.47	10.10	-53.47
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303802	1	55	0.0	-65.04	415.37	9.97	-55.07
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303802	1	55	0.0	-63.55	418.52	10.12	-53.43
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1C	REAL300020303803	0	51	0.0	-64.16	371.27	8.06	-56.10
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1C	REAL300020303803	1	51	0.0	-63.18	380.43	8.05	-55.13
CC[N@@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C	REAL300020303803	1	51	0.0	-64.19	371.33	8.08	-56.11
CC[N@H+]1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C	REAL300020303803	1	51	0.0	-63.19	380.49	8.06	-55.13
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C	REAL300020303804	0	48	0.0	-61.37	354.57	7.25	-54.12
CC[N@H+]1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C	REAL300020303804	1	48	0.0	-59.86	342.93	7.38	-52.48
CC[N@@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C	REAL300020303804	1	48	0.0	-61.38	354.63	7.27	-54.11
CC[N@H+]1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C	REAL300020303804	1	48	0.0	-59.89	342.98	7.40	-52.49
CC[N@@H+]1CC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1C	REAL300020303805	0	55	0.0	-69.56	401.85	9.77	-59.79
CC[N@H+]1CC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1C	REAL300020303805	1	55	0.0	-69.24	397.83	9.98	-59.26
CC[N@@H+]1CC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1C	REAL300020303805	1	55	0.0	-69.56	401.88	9.76	-59.80
CC[N@H+]1CC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1C	REAL300020303805	1	55	0.0	-69.26	397.85	9.97	-59.29
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020303806	0	52	-1.0	-40.82	411.93	10.40	-30.42
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020303806	1	52	-1.0	-40.85	411.99	10.42	-30.43
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020303807	0	49	-1.0	-43.19	387.43	9.44	-33.75
CC1=CC=CC=C1C1CC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020303807	1	49	-1.0	-43.17	387.51	9.47	-33.70
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303808	0	49	-1.0	-39.56	392.35	8.55	-31.01
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303808	1	49	-1.0	-39.56	392.41	8.56	-31.00
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303809	0	46	-1.0	-42.16	372.29	8.01	-34.15
C=C(C)CN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303809	1	46	-1.0	-42.17	372.22	7.99	-34.18
CC(C)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C(C)C1=O	REAL300020303810	0	52	-1.0	-43.49	411.66	6.77	-36.72
CC(C)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C(C)C1=O	REAL300020303810	1	52	-1.0	-43.50	411.71	6.78	-36.72
CC(C)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C(C)C1=O	REAL300020303811	0	49	-1.0	-45.84	388.30	6.13	-39.71
CC(C)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C(C)C1=O	REAL300020303811	1	49	-1.0	-45.86	388.36	6.15	-39.71
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C(C)C2)C=C1C	REAL300020303812	0	54	-1.0	-42.17	421.30	7.85	-34.32
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C(C)C2)C=C1C	REAL300020303812	1	54	-1.0	-42.14	421.35	7.87	-34.27
CCOC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1(C)C	REAL300020303813	0	52	-1.0	-39.31	412.22	7.56	-31.75
CCOC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1(C)C	REAL300020303813	1	52	-1.0	-39.31	412.28	7.58	-31.73
CCOC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1(C)C	REAL300020303814	0	49	-1.0	-40.64	391.02	6.81	-33.83
CCOC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1(C)C	REAL300020303814	1	49	-1.0	-40.71	391.08	6.83	-33.88
CC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2CC2)C=C1C	REAL300020303815	0	52	-1.0	-39.21	426.63	10.37	-28.84
CC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2CC2)C=C1C	REAL300020303815	1	52	-1.0	-39.24	426.69	10.38	-28.86
CC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2CC2)C=C1C	REAL300020303816	0	49	-1.0	-41.76	405.19	9.60	-32.16
CC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2CC2)C=C1C	REAL300020303816	1	49	-1.0	-41.72	405.13	9.58	-32.14
CC1CC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020303817	0	42	-1.0	-39.52	337.18	6.69	-32.83
CC1CC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020303817	1	42	-1.0	-39.49	337.24	6.71	-32.78
CC1CC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020303818	0	46	-1.0	-40.61	372.51	8.87	-31.74
CC1CC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020303818	1	46	-1.0	-40.61	372.55	8.86	-31.75
CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC(OCC)C1(C)C	REAL300020303819	0	58	-1.0	-40.34	449.94	8.22	-32.12
CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC(OCC)C1(C)C	REAL300020303819	1	58	-1.0	-40.41	450.00	8.23	-32.18
CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC(OCC)C1(C)C	REAL300020303820	0	55	-1.0	-40.77	414.44	6.83	-33.94
CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC(OCC)C1(C)C	REAL300020303820	1	55	-1.0	-40.74	414.50	6.85	-33.89
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020303821	0	46	-1.0	-38.92	387.94	9.11	-29.81
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020303821	1	46	-1.0	-38.95	388.00	9.12	-29.83
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020303822	0	43	-1.0	-41.37	366.81	8.39	-32.98
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020303822	1	43	-1.0	-41.37	366.75	8.36	-33.01
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)S1	REAL300020303823	0	50	-1.0	-39.64	417.37	7.59	-32.05
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)S1	REAL300020303823	1	50	-1.0	-39.60	417.43	7.61	-31.99
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)S1	REAL300020303824	0	47	-1.0	-41.35	402.39	6.30	-35.05
CCC1=NC(C)=C(C(C)N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)S1	REAL300020303824	1	47	-1.0	-41.34	402.45	6.33	-35.01
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1C	REAL300020303825	0	52	-1.0	-39.97	399.11	9.29	-30.68
CC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1C	REAL300020303825	1	52	-1.0	-39.97	399.17	9.31	-30.66
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1C	REAL300020303826	0	49	-1.0	-42.22	381.20	10.32	-31.90
CC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1C	REAL300020303826	1	49	-1.0	-42.18	381.14	10.29	-31.89
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020303827	0	55	-1.0	-41.10	429.33	5.83	-35.27
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020303827	1	56	0.0	-67.89	426.69	7.78	-60.11
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020303827	1	55	-1.0	-41.17	429.39	5.85	-35.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020303828	0	52	-1.0	-40.76	405.81	4.97	-35.79
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020303828	1	52	-1.0	-40.79	405.86	4.98	-35.81
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020303828	1	53	0.0	-65.24	409.02	7.14	-58.10
OCC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303829	0	50	-1.0	-42.09	401.44	6.40	-35.69
OCC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303829	1	50	-1.0	-42.06	401.50	6.42	-35.64
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020303830	0	40	-1.0	-38.56	352.49	7.15	-31.41
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020303830	1	40	-1.0	-38.57	352.55	7.17	-31.40
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020303831	0	37	-1.0	-41.06	325.04	6.49	-34.57
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020303831	1	37	-1.0	-41.06	325.10	6.51	-34.55
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303832	0	43	-1.0	-43.31	353.70	3.77	-39.54
CC1CN(C)C(=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303832	1	43	-1.0	-43.26	353.75	3.78	-39.48
CC1CN(C)C(=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303833	0	40	-1.0	-42.57	328.06	3.06	-39.51
CC1CN(C)C(=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303833	1	40	-1.0	-42.56	328.00	3.05	-39.51
CC1CN(C)C(=O)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303834	0	47	-1.0	-44.85	381.23	5.74	-39.11
CC1CN(C)C(=O)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303834	1	47	-1.0	-44.81	381.28	5.74	-39.07
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303835	0	52	-1.0	-41.45	420.64	6.25	-35.20
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303835	1	52	-1.0	-41.48	420.70	6.27	-35.21
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303836	0	49	-1.0	-43.50	407.95	6.08	-37.42
CCN(CC(O)C1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303836	1	49	-1.0	-43.48	408.02	6.11	-37.37
CC(O)(C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1)C(F)(F)F	REAL300020303837	0	46	-1.0	-42.45	377.46	4.55	-37.90
CC(O)(C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1)C(F)(F)F	REAL300020303837	1	46	-1.0	-42.43	377.52	4.58	-37.85
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303838	0	56	0.0	-67.74	414.19	7.26	-60.48
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303838	1	56	0.0	-68.02	424.24	6.42	-61.60
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303838	1	56	0.0	-67.78	414.25	7.27	-60.51
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303838	1	56	0.0	-68.06	424.30	6.43	-61.63
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303839	0	53	0.0	-64.55	379.80	6.66	-57.89
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303839	1	53	0.0	-67.98	401.30	5.82	-62.16
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303839	1	53	0.0	-64.55	379.85	6.67	-57.88
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303839	1	53	0.0	-67.97	401.36	5.84	-62.13
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020303840	0	47	-1.0	-39.43	388.33	9.57	-29.86
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020303840	1	47	-1.0	-39.46	388.39	9.58	-29.88
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020303841	0	44	-1.0	-42.53	360.63	8.91	-33.62
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020303841	1	44	-1.0	-42.56	360.57	8.88	-33.68
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020303842	0	46	-1.0	-38.83	373.08	8.11	-30.72
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020303842	1	46	-1.0	-38.83	373.13	8.13	-30.70
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020303843	0	43	-1.0	-41.30	343.82	6.88	-34.42
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020303843	1	43	-1.0	-41.26	343.88	6.91	-34.35
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020303844	0	50	-1.0	-40.07	393.22	9.59	-30.48
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020303844	1	50	-1.0	-40.03	393.26	9.58	-30.45
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020303845	0	46	-1.0	-41.39	382.77	8.73	-32.66
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020303845	1	46	-1.0	-41.36	382.84	8.74	-32.62
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020303846	0	43	-1.0	-44.59	365.31	7.93	-36.66
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020303846	1	43	-1.0	-44.59	365.36	7.96	-36.63
CCOC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020303847	0	51	-1.0	-42.68	419.43	9.39	-33.29
CCOC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020303847	1	51	-1.0	-42.71	419.49	9.41	-33.30
CC(C)(C)C1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303848	0	55	-1.0	-41.84	426.40	9.79	-32.05
CC(C)(C)C1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303848	1	55	-1.0	-41.86	426.46	9.81	-32.05
CC(C)(C)C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303849	0	52	-1.0	-44.06	404.86	8.99	-35.07
CC(C)(C)C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303849	1	52	-1.0	-44.06	404.92	9.02	-35.04
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C2=CC=CC=C2)C1	REAL300020303850	0	46	-1.0	-54.10	379.92	7.95	-46.15
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C2=CC=CC=C2)C1	REAL300020303850	1	46	-1.0	-54.10	379.98	7.97	-46.13
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020303851	0	37	-1.0	-41.47	340.98	7.03	-34.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020303851	1	37	-1.0	-41.46	341.04	7.05	-34.41
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020303852	0	37	-1.0	-41.56	335.82	7.37	-34.19
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020303852	1	37	-1.0	-41.53	335.88	7.40	-34.13
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020303853	0	46	-1.0	-42.38	385.14	9.73	-32.65
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020303853	1	46	-1.0	-42.36	385.19	9.75	-32.61
CCCN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303854	0	48	-1.0	-40.78	402.90	8.72	-32.06
CCCN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303854	1	48	-1.0	-40.80	402.95	8.73	-32.07
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303855	0	45	-1.0	-42.68	378.05	7.94	-34.74
CCCN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303855	1	45	-1.0	-42.66	378.11	7.97	-34.69
C=CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303856	0	43	-1.0	-39.45	360.91	5.23	-34.22
C=CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303856	1	43	-1.0	-39.47	360.96	5.24	-34.23
C=CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303857	0	40	-1.0	-41.29	339.51	4.47	-36.82
C=CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303857	1	40	-1.0	-41.27	339.45	4.44	-36.83
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303858	0	47	-1.0	-41.29	393.75	7.26	-34.03
C=CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303858	1	47	-1.0	-41.28	393.79	7.25	-34.03
CCCC1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303859	0	54	-1.0	-39.42	411.02	8.51	-30.91
CCCC1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303859	1	54	-1.0	-39.41	411.08	8.52	-30.89
CCCC1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303860	0	51	-1.0	-40.98	389.50	7.72	-33.26
CCCC1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303860	1	51	-1.0	-41.03	389.56	7.75	-33.28
CCC(C)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303861	0	47	-1.0	-40.53	369.72	7.14	-33.39
CCC(C)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303861	1	47	-1.0	-40.52	369.78	7.16	-33.36
CCC(C)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303862	0	44	-1.0	-42.58	345.80	6.38	-36.20
CCC(C)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303862	1	44	-1.0	-42.54	345.86	6.41	-36.13
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303863	0	51	-1.0	-41.12	395.16	9.13	-31.99
CCC(C)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303863	1	51	-1.0	-41.06	395.18	9.12	-31.94
CC(C)CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303864	0	51	-1.0	-40.81	389.10	8.32	-32.49
CC(C)CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303864	1	51	-1.0	-40.80	389.16	8.34	-32.46
CC(C)CCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303865	0	48	-1.0	-41.72	377.35	7.25	-34.47
CC(C)CCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303865	1	48	-1.0	-41.73	377.40	7.28	-34.45
CC(C)CCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303866	0	55	-1.0	-40.81	426.42	10.02	-30.79
CC(C)CCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303866	1	55	-1.0	-40.79	426.46	10.01	-30.78
CCC(CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1=CC=CC=C1	REAL300020303867	0	54	-1.0	-41.47	431.27	11.01	-30.46
CCC(CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1=CC=CC=C1	REAL300020303867	1	54	-1.0	-41.50	431.33	11.02	-30.48
CCC(CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1=CC=CC=C1	REAL300020303868	0	51	-1.0	-47.09	405.03	8.89	-38.20
CCC(CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1=CC=CC=C1	REAL300020303868	1	51	-1.0	-47.04	405.09	8.92	-38.12
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCC2=C1C=NN2C	REAL300020303869	0	49	-1.0	-47.98	394.25	6.06	-41.92
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCC2=C1C=NN2C	REAL300020303869	1	49	-1.0	-48.00	394.31	6.07	-41.93
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCC2=C1C=NN2C	REAL300020303870	0	46	-1.0	-52.79	351.86	5.19	-47.60
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCCC2=C1C=NN2C	REAL300020303870	1	46	-1.0	-52.85	351.91	5.20	-47.65
CCN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303871	0	42	-1.0	-43.50	377.04	7.93	-35.57
CCN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303871	1	42	-1.0	-43.52	377.10	7.95	-35.57
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020303872	0	51	-1.0	-40.59	396.29	8.31	-32.28
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020303872	1	51	-1.0	-40.57	396.34	8.32	-32.25
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020303873	0	48	-1.0	-43.80	374.79	7.52	-36.28
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020303873	1	48	-1.0	-43.81	374.85	7.55	-36.26
COCCNC(=O)C1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020303874	0	53	-1.0	-49.01	424.78	3.70	-45.31
COCCNC(=O)C1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020303874	1	53	-1.0	-49.03	424.83	3.73	-45.30
CCCCNC(=O)C1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020303875	0	55	-1.0	-49.24	434.18	6.15	-43.09
CCCCNC(=O)C1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020303875	1	55	-1.0	-49.21	434.23	6.18	-43.03
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1O	REAL300020303876	0	47	-1.0	-42.26	398.46	5.04	-37.22
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1O	REAL300020303876	1	47	-1.0	-42.29	398.52	5.05	-37.24
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1O	REAL300020303877	0	44	-1.0	-44.02	376.59	4.30	-39.72
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1O	REAL300020303877	1	44	-1.0	-44.05	376.64	4.32	-39.73
CCN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303878	0	46	-1.0	-41.70	364.59	5.11	-36.59
CCN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303878	1	46	-1.0	-41.67	364.64	5.12	-36.55
CCN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303879	0	43	-1.0	-45.36	343.09	4.34	-41.02
CCN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303879	1	43	-1.0	-45.39	343.14	4.36	-41.03
CCN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303880	0	50	-1.0	-42.81	391.89	7.06	-35.75
CCN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303880	1	50	-1.0	-42.80	391.91	7.05	-35.75
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020303881	0	40	-1.0	-40.99	317.15	5.64	-35.35
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020303881	1	40	-1.0	-40.98	317.21	5.66	-35.32
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020303882	0	44	-1.0	-41.87	345.12	8.00	-33.87
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020303882	1	44	-1.0	-41.89	345.14	7.99	-33.90
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC2=CC=CC=C2C1	REAL300020303883	0	46	-1.0	-41.39	370.96	8.89	-32.50
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC2=CC=CC=C2C1	REAL300020303883	1	46	-1.0	-41.40	371.01	8.90	-32.50
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC2=CC=CC=C2C1	REAL300020303884	0	43	-1.0	-41.22	347.94	8.44	-32.78
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC2=CC=CC=C2C1	REAL300020303884	1	43	-1.0	-41.23	347.88	8.43	-32.80
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303885	0	46	-1.0	-42.86	391.80	8.79	-34.07
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303885	1	46	-1.0	-42.86	391.86	8.80	-34.06
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303886	0	43	-1.0	-41.91	364.04	8.16	-33.75
C=CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303886	1	43	-1.0	-41.86	363.97	8.13	-33.73
CCCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303887	0	54	-1.0	-39.52	419.85	10.03	-29.49
CCCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303887	1	54	-1.0	-39.49	419.91	10.04	-29.45
CCCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303888	0	51	-1.0	-42.03	388.97	8.72	-33.31
CCCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303888	1	51	-1.0	-42.04	389.02	8.74	-33.30
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020303889	0	50	-1.0	-42.11	390.38	7.54	-34.57
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020303889	1	50	-1.0	-42.16	390.43	7.55	-34.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020303890	0	50	-1.0	-42.22	412.48	7.06	-35.16
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020303890	1	50	-1.0	-42.25	412.54	7.07	-35.18
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020303891	0	47	-1.0	-43.83	391.08	6.39	-37.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020303891	1	47	-1.0	-43.80	391.14	6.40	-37.40
CC(C)N(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303892	0	47	-1.0	-44.42	385.03	9.18	-35.24
CC(C)N(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303892	1	47	-1.0	-44.44	385.08	9.19	-35.25
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020303893	0	46	-1.0	-40.49	361.19	8.60	-31.89
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020303893	1	46	-1.0	-40.52	361.24	8.63	-31.89
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303894	0	45	-1.0	-42.56	381.11	6.28	-36.28
CCN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303894	1	45	-1.0	-42.54	381.05	6.27	-36.27
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303895	0	42	-1.0	-44.54	359.61	5.50	-39.04
CCN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303895	1	42	-1.0	-44.57	359.56	5.47	-39.10
CCN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303896	0	49	-1.0	-43.89	405.16	7.87	-36.02
CCN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303896	1	49	-1.0	-43.93	405.12	7.88	-36.05
CC[NH+]1CCN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)CC1	REAL300020303897	0	57	0.0	-63.65	429.05	6.65	-57.00
CC[NH+]1CCN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)CC1	REAL300020303897	1	57	0.0	-63.66	429.10	6.66	-57.00
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)CC1	REAL300020303898	0	54	0.0	-64.44	403.78	6.14	-58.30
CC[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)CC1	REAL300020303898	1	54	0.0	-64.43	403.84	6.15	-58.28
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020303899	0	40	-1.0	-39.95	337.22	7.56	-32.39
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020303899	1	40	-1.0	-40.01	337.27	7.57	-32.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020303900	0	37	-1.0	-42.19	310.45	6.89	-35.30
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020303900	1	37	-1.0	-42.14	310.39	6.87	-35.27
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020303901	0	44	-1.0	-41.37	365.62	9.53	-31.84
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020303901	1	44	-1.0	-41.34	365.65	9.52	-31.82
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020303902	0	43	-1.0	-38.56	364.73	7.96	-30.60
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020303902	1	43	-1.0	-38.57	364.78	7.97	-30.60
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020303903	0	40	-1.0	-41.26	346.98	7.33	-33.93
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020303903	1	40	-1.0	-41.30	346.92	7.30	-34.00
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020303904	0	43	-1.0	-42.16	367.08	8.04	-34.12
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020303904	1	43	-1.0	-42.21	367.13	8.05	-34.16
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020303905	0	40	-1.0	-42.29	347.15	8.15	-34.14
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020303905	1	40	-1.0	-42.26	347.21	8.18	-34.08
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303906	0	46	-1.0	-41.78	379.57	5.57	-36.21
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303906	1	46	-1.0	-41.77	379.63	5.58	-36.19
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303907	0	43	-1.0	-42.31	361.39	4.07	-38.24
CC(C1=CC=CC(O)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303907	1	43	-1.0	-42.33	361.34	4.04	-38.29
CCCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303908	0	52	-1.0	-38.50	407.57	7.58	-30.92
CCCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303908	1	52	-1.0	-38.56	407.62	7.59	-30.97
CCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303909	0	49	-1.0	-39.96	382.00	6.65	-33.31
CCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303909	1	49	-1.0	-40.01	382.05	6.66	-33.35
OCCN(CCOCC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303910	0	46	-1.0	-42.37	396.62	2.91	-39.46
OCCN(CCOCC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303910	1	46	-1.0	-42.41	396.68	2.93	-39.48
OCCN(CCOCC(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303911	0	43	-1.0	-47.46	371.23	1.50	-45.96
OCCN(CCOCC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303911	1	43	-1.0	-47.48	371.29	1.52	-45.96
CCCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303912	0	48	-1.0	-41.03	382.71	5.69	-35.34
CCCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303912	1	48	-1.0	-41.07	382.76	5.70	-35.37
CCCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303913	0	45	-1.0	-43.49	361.21	4.90	-38.59
CCCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303913	1	45	-1.0	-43.46	361.27	4.93	-38.53
CCCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303914	0	52	-1.0	-42.53	411.22	7.73	-34.80
CCCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303914	1	52	-1.0	-42.47	411.25	7.72	-34.75
CC1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303915	0	55	0.0	-68.57	427.44	10.31	-58.26
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303915	1	55	0.0	-69.25	427.65	10.32	-58.93
CC1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303915	1	54	-1.0	-40.74	415.79	6.38	-34.36
CC1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303915	1	54	-1.0	-40.73	415.85	6.39	-34.34
CC1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303916	0	52	0.0	-67.90	415.77	8.76	-59.14
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303916	1	52	0.0	-66.47	401.43	9.56	-56.91
CC1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303916	1	51	-1.0	-42.41	403.92	6.14	-36.27
CC1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303916	1	51	-1.0	-42.42	403.98	6.15	-36.27
O=[N+]([O-])C1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303917	0	45	-1.0	-45.37	377.99	8.09	-37.28
O=[N+]([O-])C1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303917	1	45	-1.0	-45.34	378.05	8.10	-37.24
O=[N+]([O-])C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303918	0	42	-1.0	-47.67	356.44	7.28	-40.39
O=[N+]([O-])C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303918	1	42	-1.0	-47.68	356.50	7.31	-40.37
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303919	0	43	-1.0	-43.09	356.56	4.55	-38.54
CC1C(=O)N(C)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303919	1	43	-1.0	-43.16	356.62	4.57	-38.59
CC1C(=O)N(C)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303920	0	40	-1.0	-42.84	330.08	4.07	-38.77
CC1C(=O)N(C)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303920	1	40	-1.0	-42.85	330.02	4.05	-38.80
CC1C(=O)N(C)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303921	0	47	-1.0	-44.35	384.76	6.30	-38.05
CC1C(=O)N(C)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303921	1	47	-1.0	-44.32	384.80	6.29	-38.03
CCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303922	0	42	-1.0	-40.03	323.35	6.05	-33.98
CCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303922	1	42	-1.0	-39.99	323.41	6.06	-33.93
CCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303923	0	46	-1.0	-41.33	359.11	8.32	-33.01
CCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303923	1	46	-1.0	-41.32	359.17	8.31	-33.01
CCSC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020303924	0	49	-1.0	-39.84	394.59	8.78	-31.06
CCSC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020303924	1	49	-1.0	-39.85	394.65	8.79	-31.06
CCSC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020303925	0	46	-1.0	-42.47	372.77	8.17	-34.30
CCSC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020303925	1	46	-1.0	-42.46	372.84	8.19	-34.27
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303926	0	55	0.0	-69.92	432.44	9.38	-60.54
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303926	1	55	0.0	-69.32	427.44	10.31	-59.01
C[C@@H]1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303926	1	54	-1.0	-40.48	431.05	7.08	-33.40
C[C@@H]1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303926	1	54	-1.0	-40.52	431.11	7.09	-33.43
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303927	0	52	0.0	-67.85	415.82	8.74	-59.11
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303927	1	52	0.0	-66.58	401.01	9.52	-57.06
C[C@@H]1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303927	1	51	-1.0	-41.71	405.27	6.24	-35.47
C[C@@H]1CN(CC2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303927	1	51	-1.0	-41.75	405.33	6.25	-35.50
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303928	0	52	-1.0	-39.44	410.69	9.84	-29.60
C=CCN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303928	1	52	-1.0	-39.44	410.75	9.85	-29.59
C=CCN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303929	0	49	-1.0	-42.51	382.41	8.65	-33.86
C=CCN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303929	1	49	-1.0	-42.48	382.46	8.67	-33.81
CCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303930	0	42	-1.0	-39.42	343.23	6.51	-32.91
CCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303930	1	42	-1.0	-39.39	343.29	6.52	-32.87
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303931	0	46	-1.0	-40.93	370.88	8.56	-32.37
CCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303931	1	46	-1.0	-40.92	370.91	8.54	-32.38
OCCCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020303932	0	46	-1.0	-41.50	382.78	4.35	-37.15
OCCCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020303932	1	46	-1.0	-41.42	382.84	4.36	-37.06
OCCCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020303933	0	43	-1.0	-43.37	357.73	3.70	-39.67
OCCCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020303933	1	43	-1.0	-43.34	357.78	3.71	-39.63
OCCCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CC1	REAL300020303934	0	50	-1.0	-42.71	414.91	6.49	-36.22
OCCCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CC1	REAL300020303934	1	50	-1.0	-42.73	414.95	6.47	-36.26
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020303935	0	43	-1.0	-42.31	356.11	7.48	-34.83
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020303935	1	43	-1.0	-42.30	356.17	7.50	-34.80
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020303936	0	40	-1.0	-44.56	334.70	6.71	-37.85
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020303936	1	40	-1.0	-44.56	334.63	6.69	-37.87
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020303937	0	49	-1.0	-41.46	404.12	9.62	-31.84
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020303937	1	49	-1.0	-41.43	404.18	9.63	-31.80
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020303938	0	46	-1.0	-43.18	383.85	9.14	-34.04
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020303938	1	46	-1.0	-43.20	383.92	9.16	-34.04
CC(CS(C)(=O)=O)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303939	0	44	-1.0	-52.26	359.88	3.61	-48.65
CC(CS(C)(=O)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303939	1	44	-1.0	-52.25	359.94	3.63	-48.62
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303940	0	41	-1.0	-52.09	336.62	3.07	-49.02
CC(CS(C)(=O)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303940	1	41	-1.0	-52.11	336.68	3.09	-49.02
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020303941	0	46	-1.0	-39.33	371.30	8.77	-30.56
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020303941	1	46	-1.0	-39.28	371.36	8.78	-30.50
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020303942	0	43	-1.0	-42.66	340.79	7.94	-34.72
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020303942	1	43	-1.0	-42.62	340.74	7.92	-34.70
OCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303943	0	49	-1.0	-41.91	397.04	5.60	-36.31
OCCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303943	1	49	-1.0	-41.93	397.10	5.62	-36.31
OCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303944	0	46	-1.0	-44.95	376.60	4.89	-40.06
OCCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303944	1	46	-1.0	-44.93	376.66	4.91	-40.02
CC1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303945	0	40	-1.0	-39.06	340.74	5.65	-33.41
CC1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303945	1	40	-1.0	-39.04	340.80	5.67	-33.37
CC1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303946	0	37	-1.0	-39.85	310.68	5.04	-34.81
CC1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303946	1	37	-1.0	-39.86	310.73	5.05	-34.81
CC1CSCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303947	0	44	-1.0	-40.68	364.90	7.57	-33.11
CC1CSCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303947	1	44	-1.0	-40.55	364.92	7.55	-33.00
OC1=CC=C(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303948	0	47	-1.0	-43.54	374.04	4.79	-38.75
OC1=CC=C(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303948	1	47	-1.0	-43.56	374.09	4.81	-38.75
OC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303949	0	44	-1.0	-44.08	356.01	4.51	-39.57
OC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303949	1	44	-1.0	-44.07	355.95	4.49	-39.58
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020303950	0	47	-1.0	-41.35	389.37	6.34	-35.01
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020303950	1	47	-1.0	-41.34	389.31	6.33	-35.01
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020303951	0	44	-1.0	-43.56	356.94	5.27	-38.29
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020303951	1	44	-1.0	-43.57	356.88	5.25	-38.32
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020303952	0	46	-1.0	-39.53	364.12	7.57	-31.96
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020303952	1	46	-1.0	-39.54	364.17	7.59	-31.95
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020303953	0	43	-1.0	-40.87	340.08	6.86	-34.01
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020303953	1	43	-1.0	-40.92	340.13	6.86	-34.06
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020303954	0	50	-1.0	-40.83	394.14	9.57	-31.26
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020303954	1	50	-1.0	-40.78	394.18	9.56	-31.22
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303955	0	47	-1.0	-41.78	402.16	8.86	-32.92
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303955	1	47	-1.0	-41.77	402.22	8.87	-32.90
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303956	0	44	-1.0	-43.07	381.81	8.14	-34.93
C=CCN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303956	1	44	-1.0	-43.08	381.76	8.12	-34.96
C#CCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303957	0	41	-1.0	-40.87	348.68	8.41	-32.46
C#CCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303957	1	41	-1.0	-40.88	348.72	8.40	-32.48
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303958	0	49	-1.0	-40.29	409.92	10.20	-30.09
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303958	1	49	-1.0	-40.28	409.97	10.22	-30.06
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COCCCCN(CC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303960	0	52	-1.0	-46.89	433.81	8.37	-38.52
COCCCCN(CC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303960	1	52	-1.0	-46.93	433.87	8.39	-38.54
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FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020303961	1	52	-1.0	-39.06	420.03	10.00	-29.06
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020303962	0	49	-1.0	-43.45	391.56	8.99	-34.46
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020303962	1	49	-1.0	-43.46	391.51	8.97	-34.49
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CCOCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303963	1	45	-1.0	-39.21	358.37	5.35	-33.86
CCOCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303964	0	42	-1.0	-41.12	339.51	4.67	-36.45
CCOCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303964	1	42	-1.0	-41.14	339.58	4.70	-36.44
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303965	0	49	-1.0	-40.81	383.37	7.19	-33.62
CCOCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303965	1	49	-1.0	-40.78	383.79	7.11	-33.67
COC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303966	0	47	-1.0	-43.41	379.28	6.73	-36.68
COC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303966	1	47	-1.0	-43.40	379.33	6.74	-36.66
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303967	0	44	-1.0	-45.95	357.81	5.94	-40.01
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303967	1	44	-1.0	-45.92	357.75	5.92	-40.00
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303968	0	44	-1.0	-40.42	381.39	8.76	-31.66
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303968	1	44	-1.0	-40.40	381.45	8.77	-31.63
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303969	0	41	-1.0	-41.88	361.74	7.94	-33.94
C#CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303969	1	41	-1.0	-41.87	361.68	7.92	-33.95
COCCN(CCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303970	0	52	-1.0	-44.33	421.11	7.93	-36.40
COCCN(CCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303970	1	52	-1.0	-44.35	421.17	7.95	-36.40
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCC1	REAL300020303971	0	45	-1.0	-39.38	358.86	6.66	-32.72
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCC1	REAL300020303971	1	45	-1.0	-39.38	358.92	6.68	-32.70
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCCC1	REAL300020303972	0	42	-1.0	-43.84	330.24	5.73	-38.11
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCC1	REAL300020303972	1	42	-1.0	-43.86	330.18	5.71	-38.15
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCCC1	REAL300020303973	0	49	-1.0	-42.27	375.13	8.31	-33.96
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCCC1	REAL300020303973	1	49	-1.0	-42.25	375.17	8.30	-33.95
CCOC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303974	0	50	-1.0	-43.36	401.07	7.64	-35.72
CCOC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303974	1	50	-1.0	-43.34	401.13	7.66	-35.68
CCOC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020303975	0	47	-1.0	-45.98	379.60	6.85	-39.13
CCOC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020303975	1	47	-1.0	-45.98	379.66	6.87	-39.11
CC(C)NC(=O)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303976	0	45	-1.0	-41.10	366.51	4.36	-36.74
CC(C)NC(=O)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303976	1	45	-1.0	-41.14	366.57	4.38	-36.76
CC(C)NC(=O)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303977	0	42	-1.0	-43.98	357.17	3.62	-40.36
CC(C)NC(=O)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303977	1	42	-1.0	-43.97	357.23	3.65	-40.32
CC(C)NC(=O)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020303978	0	49	-1.0	-42.53	407.03	6.43	-36.10
CC(C)NC(=O)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020303978	1	49	-1.0	-42.45	407.06	6.42	-36.03
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)CC1CCCO1	REAL300020303979	0	47	-1.0	-43.72	394.82	7.34	-36.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)CC1CCCO1	REAL300020303979	1	47	-1.0	-43.75	394.86	7.36	-36.39
COC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2CC2)C=C1	REAL300020303980	0	50	-1.0	-40.59	409.12	8.20	-32.39
COC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2CC2)C=C1	REAL300020303980	1	50	-1.0	-40.60	409.17	8.21	-32.39
COC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2CC2)C=C1	REAL300020303981	0	47	-1.0	-41.65	396.21	7.66	-33.99
COC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2CC2)C=C1	REAL300020303981	1	47	-1.0	-41.64	396.26	7.69	-33.95
CCOC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020303982	0	50	-1.0	-43.79	396.29	7.57	-36.22
CCOC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020303982	1	50	-1.0	-43.84	396.34	7.59	-36.25
CC(C)C1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2CC2)C=C1	REAL300020303983	0	55	-1.0	-38.98	439.84	10.83	-28.15
CC(C)C1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2CC2)C=C1	REAL300020303983	1	55	-1.0	-39.00	439.90	10.85	-28.15
CC(C)C1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2CC2)C=C1	REAL300020303984	0	52	-1.0	-41.17	426.93	10.29	-30.88
CC(C)C1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2CC2)C=C1	REAL300020303984	1	52	-1.0	-41.21	426.99	10.32	-30.89
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020303985	0	46	-1.0	-39.46	386.02	8.96	-30.50
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020303985	1	46	-1.0	-39.48	386.08	8.97	-30.51
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020303986	0	43	-1.0	-40.46	373.19	8.46	-32.00
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020303986	1	43	-1.0	-40.45	373.13	8.43	-32.02
OC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020303987	0	49	-1.0	-41.85	397.75	4.42	-37.43
OC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020303987	1	49	-1.0	-41.87	397.81	4.44	-37.43
OC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020303988	0	46	-1.0	-42.70	379.95	3.76	-38.94
OC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020303988	1	46	-1.0	-42.69	380.02	3.79	-38.90
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020303989	0	45	-1.0	-39.31	382.34	8.22	-31.09
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020303989	1	45	-1.0	-39.35	382.40	8.23	-31.12
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020303990	0	42	-1.0	-40.82	360.97	7.43	-33.39
CC(C1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020303990	1	42	-1.0	-40.78	360.91	7.40	-33.38
CC(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020303991	0	46	-1.0	-44.87	360.64	6.01	-38.86
CC(=O)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020303991	1	46	-1.0	-44.86	360.70	6.02	-38.84
CC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020303992	0	43	-1.0	-47.79	339.15	5.22	-42.57
CC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020303992	1	43	-1.0	-47.80	339.21	5.25	-42.55
CC(=O)N1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020303993	0	50	-1.0	-46.38	388.22	7.97	-38.41
CC(=O)N1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020303993	1	50	-1.0	-46.30	388.24	7.96	-38.34
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020303994	0	46	-1.0	-41.39	369.17	9.45	-31.94
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020303994	1	46	-1.0	-41.40	369.22	9.47	-31.93
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020303995	0	43	-1.0	-43.26	345.34	8.14	-35.12
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020303995	1	43	-1.0	-43.24	345.28	8.11	-35.13
COC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020303996	0	50	-1.0	-44.02	402.33	8.85	-35.17
COC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020303996	1	50	-1.0	-44.07	402.38	8.87	-35.20
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020303997	0	47	-1.0	-46.72	384.35	8.26	-38.46
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020303997	1	47	-1.0	-46.70	384.41	8.29	-38.41
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020303998	0	40	-1.0	-41.46	340.00	6.64	-34.82
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020303998	1	40	-1.0	-41.48	340.06	6.66	-34.82
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020303999	0	37	-1.0	-43.40	319.46	5.89	-37.51
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020303999	1	37	-1.0	-43.38	319.40	5.87	-37.51
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020304000	0	44	-1.0	-40.34	379.24	9.71	-30.63
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020304000	1	44	-1.0	-40.31	379.28	9.70	-30.61
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304001	0	45	-1.0	-40.28	381.87	8.74	-31.54
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304001	1	45	-1.0	-40.31	381.93	8.76	-31.55
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304002	0	42	-1.0	-41.92	367.16	7.46	-34.46
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304002	1	42	-1.0	-41.95	367.22	7.48	-34.47
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020304003	0	49	-1.0	-40.75	390.11	8.43	-32.32
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020304003	1	49	-1.0	-40.78	390.17	8.45	-32.33
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020304004	0	46	-1.0	-42.06	371.38	7.65	-34.41
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020304004	1	46	-1.0	-42.10	371.44	7.67	-34.43
CS(=O)(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304005	0	47	-1.0	-48.85	392.56	3.53	-45.32
CS(=O)(=O)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304005	1	47	-1.0	-48.83	392.62	3.55	-45.28
CS(=O)(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304006	0	44	-1.0	-50.86	371.04	2.75	-48.11
CS(=O)(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304006	1	44	-1.0	-50.85	371.10	2.77	-48.08
CN(CC(C)(C)CN1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304007	0	57	-1.0	-39.93	435.31	6.58	-33.35
CN(CC(C)(C)CN1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304007	1	57	-1.0	-39.95	435.36	6.59	-33.36
CN(CC(C)(C)C[NH+]1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304007	1	58	0.0	-65.51	418.11	8.07	-57.44
CN(CC(C)(C)CN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304008	0	54	-1.0	-41.15	413.83	5.78	-35.37
CN(CC(C)(C)CN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304008	1	54	-1.0	-41.14	413.88	5.81	-35.33
CN(CC(C)(C)C[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304008	1	55	0.0	-64.21	395.89	7.57	-56.64
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020304009	0	43	-1.0	-39.14	355.86	7.48	-31.66
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020304009	1	43	-1.0	-39.19	355.92	7.50	-31.69
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020304010	0	40	-1.0	-41.93	323.30	7.05	-34.88
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020304010	1	40	-1.0	-41.96	323.36	7.06	-34.90
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020304011	0	47	-1.0	-41.15	380.51	9.71	-31.44
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020304011	1	47	-1.0	-41.11	380.55	9.70	-31.41
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020304012	0	47	-1.0	-41.11	373.01	6.07	-35.04
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020304012	1	47	-1.0	-41.08	373.07	6.09	-34.99
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020304013	0	44	-1.0	-42.93	346.10	5.39	-37.54
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020304013	1	44	-1.0	-42.97	346.16	5.41	-37.56
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020304014	0	51	-1.0	-42.45	400.49	8.18	-34.27
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020304014	1	51	-1.0	-42.44	400.53	8.17	-34.27
CC1=CC=NC(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020304015	0	49	-1.0	-42.86	404.50	6.39	-36.47
CC1=CC=NC(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020304015	1	49	-1.0	-42.86	404.55	6.41	-36.45
CCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304016	0	45	-1.0	-39.85	350.47	7.12	-32.73
CCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304016	1	45	-1.0	-39.90	350.53	7.13	-32.77
CCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304017	0	42	-1.0	-41.26	331.91	6.50	-34.76
CCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304017	1	42	-1.0	-41.25	331.97	6.53	-34.72
CCC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304018	0	49	-1.0	-40.99	381.75	9.28	-31.71
CCC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304018	1	49	-1.0	-40.94	381.78	9.27	-31.67
CC1(CCC2=CC=CC=C2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304019	0	55	-1.0	-40.80	439.71	10.95	-29.85
CC1(CCC2=CC=CC=C2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304019	1	55	-1.0	-40.78	439.76	10.96	-29.82
CC1(CCC2=CC=CC=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304020	0	52	-1.0	-42.57	413.32	10.29	-32.28
CC1(CCC2=CC=CC=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304020	1	52	-1.0	-42.55	413.37	10.32	-32.23
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020304021	0	50	-1.0	-41.07	385.06	6.58	-34.49
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020304021	1	50	-1.0	-41.12	385.12	6.59	-34.53
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020304022	0	47	-1.0	-42.56	373.40	6.15	-36.41
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020304022	1	47	-1.0	-42.57	373.45	6.17	-36.40
COC1=CC=C(CC(C)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020304023	0	52	-1.0	-47.75	420.51	8.69	-39.06
COC1=CC=C(CC(C)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020304023	1	52	-1.0	-47.75	420.56	8.72	-39.03
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304024	0	42	-1.0	-40.64	374.16	8.60	-32.04
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304024	1	42	-1.0	-40.65	374.21	8.61	-32.04
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304025	0	39	-1.0	-41.05	358.93	7.73	-33.32
CN(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304025	1	39	-1.0	-41.08	358.98	7.75	-33.33
CC1=CN=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)S1	REAL300020304026	0	48	-1.0	-40.03	406.34	7.65	-32.38
CC1=CN=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)S1	REAL300020304026	1	48	-1.0	-40.05	406.39	7.66	-32.39
CC1=CN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)S1	REAL300020304027	0	45	-1.0	-42.14	388.51	6.99	-35.15
CC1=CN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)S1	REAL300020304027	1	45	-1.0	-42.16	388.57	7.01	-35.15
CCC1=CN=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)S1	REAL300020304028	0	44	-1.0	-40.00	386.42	6.63	-33.37
CCC1=CN=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)S1	REAL300020304028	1	44	-1.0	-40.00	386.47	6.65	-33.35
CCC1=CN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)S1	REAL300020304029	0	41	-1.0	-40.73	366.02	6.08	-34.65
CCC1=CN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)S1	REAL300020304029	1	41	-1.0	-40.75	366.07	6.11	-34.64
NC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304030	0	46	-1.0	-43.07	376.29	3.85	-39.22
NC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304030	1	46	-1.0	-43.05	376.35	3.87	-39.18
NC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304031	0	43	-1.0	-45.62	355.59	2.88	-42.74
NC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304031	1	43	-1.0	-45.63	355.64	2.90	-42.73
NC(=O)CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304032	0	50	-1.0	-44.61	403.28	5.86	-38.75
NC(=O)CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304032	1	50	-1.0	-44.56	403.36	5.86	-38.70
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020304033	0	46	-1.0	-43.86	389.30	5.81	-38.05
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020304033	1	46	-1.0	-43.86	389.25	5.80	-38.06
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020304034	0	46	-1.0	-45.71	392.63	5.93	-39.78
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020304034	1	46	-1.0	-45.72	392.57	5.91	-39.81
CC(C)C1=NC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=N1	REAL300020304035	0	49	-1.0	-40.35	407.45	6.95	-33.40
CC(C)C1=NC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=N1	REAL300020304035	1	49	-1.0	-40.34	407.51	6.97	-33.37
CC(C)C1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=N1	REAL300020304036	0	46	-1.0	-40.44	385.61	6.34	-34.10
CC(C)C1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=N1	REAL300020304036	1	46	-1.0	-40.44	385.67	6.36	-34.08
CN(C)C(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304037	0	52	-1.0	-45.80	413.87	7.25	-38.55
CN(C)C(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304037	1	52	-1.0	-45.83	413.92	7.27	-38.56
CN(C)C(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304038	0	49	-1.0	-47.75	392.59	6.44	-41.31
CN(C)C(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304038	1	49	-1.0	-47.75	392.64	6.47	-41.28
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304039	0	42	-1.0	-40.48	377.22	8.08	-32.40
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304039	1	42	-1.0	-40.50	377.28	8.10	-32.40
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304040	0	39	-1.0	-41.79	348.80	7.43	-34.36
CN(CC1=CC(F)=C(F)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304040	1	39	-1.0	-41.79	348.87	7.46	-34.33
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C)O1	REAL300020304041	0	47	-1.0	-40.08	384.34	5.03	-35.05
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C)O1	REAL300020304041	1	47	-1.0	-40.08	384.40	5.05	-35.03
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C)O1	REAL300020304042	0	44	-1.0	-41.09	362.83	4.25	-36.84
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C)O1	REAL300020304042	1	44	-1.0	-41.10	362.89	4.27	-36.83
CN(CCC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304043	0	43	-1.0	-43.74	369.38	5.13	-38.61
CN(CCC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304043	1	43	-1.0	-43.78	369.43	5.15	-38.63
CN(CCC1=CN=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304044	0	40	-1.0	-45.16	347.81	4.36	-40.80
CN(CCC1=CN=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304044	1	40	-1.0	-45.10	347.87	4.38	-40.72
CN(CCC1=CN=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304045	0	47	-1.0	-46.61	392.45	7.27	-39.34
CN(CCC1=CN=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304045	1	47	-1.0	-46.58	392.49	7.26	-39.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300020304046	0	53	-1.0	-44.03	403.36	10.58	-33.45
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300020304046	1	53	-1.0	-44.08	403.42	10.60	-33.48
CC1(C(N)=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304047	0	43	-1.0	-51.25	347.44	2.61	-48.64
CC1(C(N)=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304047	1	43	-1.0	-51.26	347.50	2.62	-48.64
CC1(C(N)=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304048	0	40	-1.0	-52.82	326.70	1.79	-51.03
CC1(C(N)=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304048	1	40	-1.0	-52.80	326.75	1.81	-50.99
CC1(C(N)=O)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304049	0	47	-1.0	-52.09	375.03	4.55	-47.54
CC1(C(N)=O)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304049	1	47	-1.0	-52.09	375.04	4.54	-47.55
COC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304050	0	45	-1.0	-44.33	367.07	6.56	-37.77
COC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304050	1	45	-1.0	-44.27	367.12	6.57	-37.70
COC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304051	0	42	-1.0	-43.40	348.51	5.95	-37.45
COC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304051	1	42	-1.0	-43.44	348.57	5.97	-37.47
COCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304052	0	49	-1.0	-39.52	384.98	6.26	-33.26
COCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304052	1	49	-1.0	-39.53	385.04	6.27	-33.26
COCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304053	0	46	-1.0	-41.53	363.45	5.70	-35.83
COCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304053	1	46	-1.0	-41.52	363.51	5.73	-35.79
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C2CC2)O1	REAL300020304054	0	47	-1.0	-39.18	379.20	7.01	-32.17
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C2CC2)O1	REAL300020304054	1	47	-1.0	-39.20	379.26	7.02	-32.18
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C2CC2)O1	REAL300020304055	0	44	-1.0	-41.73	354.33	6.46	-35.27
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C2CC2)O1	REAL300020304055	1	44	-1.0	-41.75	354.38	6.49	-35.26
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC(C2CC2)O1	REAL300020304056	0	51	-1.0	-41.30	402.13	9.19	-32.11
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC(C2CC2)O1	REAL300020304056	1	51	-1.0	-41.33	402.18	9.18	-32.15
CC(C1=NC=CS1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304057	0	47	-1.0	-43.42	397.18	4.59	-38.83
CC(C1=NC=CS1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304057	1	47	-1.0	-43.45	397.23	4.61	-38.84
CC(C1=CSC=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304058	0	48	-1.0	-40.74	401.45	6.42	-34.32
CC(C1=CSC=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304058	1	48	-1.0	-40.76	401.51	6.44	-34.32
CC(C1=CSC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304058	1	49	0.0	-61.66	398.39	8.58	-53.08
CN(CC1=NC(C(F)(F)F)=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304059	0	38	-1.0	-40.44	363.59	5.52	-34.92
CN(CC1=NC(C(F)(F)F)=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304059	1	38	-1.0	-40.46	363.64	5.55	-34.91
CC1=CC=C(F)C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020304060	0	45	-1.0	-40.01	387.07	8.67	-31.34
CC1=CC=C(F)C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020304060	1	45	-1.0	-40.01	387.13	8.69	-31.32
CC1=CC=C(F)C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020304061	0	42	-1.0	-41.58	365.63	7.91	-33.67
CC1=CC=C(F)C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020304061	1	42	-1.0	-41.57	365.58	7.89	-33.68
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H](C)O1	REAL300020304062	0	43	-1.0	-39.72	352.78	5.47	-34.25
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020304062	1	43	-1.0	-39.75	352.84	5.48	-34.27
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H](C)O1	REAL300020304063	0	40	-1.0	-40.98	333.77	4.79	-36.19
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020304063	1	40	-1.0	-41.01	333.84	4.82	-36.19
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C[C@H](C)O1	REAL300020304064	0	47	-1.0	-41.23	372.95	7.41	-33.82
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C[C@H](C)O1	REAL300020304064	1	47	-1.0	-41.22	372.97	7.40	-33.82
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304065	0	48	-1.0	-43.20	390.39	7.74	-35.46
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304065	1	48	-1.0	-43.18	390.45	7.75	-35.43
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304066	0	45	-1.0	-46.88	369.33	7.12	-39.76
CCOC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304066	1	45	-1.0	-46.89	369.40	7.15	-39.74
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C)(C)O1	REAL300020304067	0	46	-1.0	-39.38	365.31	6.32	-33.06
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C)(C)O1	REAL300020304067	1	46	-1.0	-39.36	365.36	6.33	-33.03
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C)(C)O1	REAL300020304068	0	43	-1.0	-41.55	344.00	5.53	-36.02
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C)(C)O1	REAL300020304068	1	43	-1.0	-41.55	344.06	5.56	-35.99
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC(C)(C)O1	REAL300020304069	0	50	-1.0	-41.06	388.85	8.24	-32.82
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC(C)(C)O1	REAL300020304069	1	50	-1.0	-41.08	388.88	8.24	-32.84
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020304070	0	45	-1.0	-39.10	379.51	8.61	-30.49
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020304070	1	45	-1.0	-39.14	379.57	8.62	-30.52
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020304071	0	42	-1.0	-40.99	357.79	7.87	-33.12
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020304071	1	42	-1.0	-41.00	357.74	7.84	-33.16
CC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C=C1	REAL300020304072	0	49	-1.0	-41.63	395.73	10.63	-31.00
CC1=CC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C=C1	REAL300020304072	1	49	-1.0	-41.57	395.76	10.62	-30.95
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C2=CC=CC=C2)O1	REAL300020304073	0	50	-1.0	-40.72	407.56	8.57	-32.15
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C2=CC=CC=C2)O1	REAL300020304073	1	50	-1.0	-40.70	407.62	8.59	-32.11
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C2=CC=CC=C2)O1	REAL300020304074	0	47	-1.0	-42.31	387.89	8.09	-34.22
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C2=CC=CC=C2)O1	REAL300020304074	1	47	-1.0	-42.33	387.95	8.11	-34.22
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C)O1	REAL300020304075	0	46	-1.0	-39.02	371.50	6.60	-32.42
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C)O1	REAL300020304075	1	46	-1.0	-39.04	371.56	6.61	-32.43
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C)O1	REAL300020304076	0	43	-1.0	-40.62	349.99	5.81	-34.81
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C)O1	REAL300020304076	1	43	-1.0	-40.64	350.05	5.84	-34.80
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC(C)O1	REAL300020304077	0	50	-1.0	-40.91	398.77	8.34	-32.57
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC(C)O1	REAL300020304077	1	50	-1.0	-40.88	398.81	8.33	-32.55
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020304078	0	50	-1.0	-42.45	406.64	9.01	-33.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020304078	1	50	-1.0	-42.44	406.70	9.02	-33.42
CN(CCC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304079	0	38	-1.0	-40.75	338.61	6.13	-34.62
CN(CCC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304079	1	38	-1.0	-40.73	338.67	6.15	-34.58
CN(CCC(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304080	0	35	-1.0	-41.19	303.39	5.61	-35.58
CN(CCC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304080	1	35	-1.0	-41.18	303.44	5.62	-35.56
CN(CCC(F)(F)F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304081	0	42	-1.0	-42.56	366.91	8.13	-34.43
CN(CCC(F)(F)F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304081	1	42	-1.0	-42.52	366.95	8.12	-34.40
CCC1=NC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=CS1	REAL300020304082	0	44	-1.0	-40.00	386.99	6.63	-33.37
CCC1=NC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=CS1	REAL300020304082	1	44	-1.0	-39.95	387.05	6.64	-33.31
CCC1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=CS1	REAL300020304083	0	41	-1.0	-45.84	358.70	5.75	-40.09
CCC1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=CS1	REAL300020304083	1	41	-1.0	-45.85	358.76	5.77	-40.08
CN(CC1=CSC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304084	0	38	-1.0	-42.11	337.00	5.08	-37.03
CN(CC1=CSC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304084	1	38	-1.0	-42.11	337.06	5.09	-37.02
CN(CC1=CSC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304085	0	35	-1.0	-43.54	321.74	4.23	-39.31
CN(CC1=CSC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304085	1	35	-1.0	-43.53	321.68	4.20	-39.33
CN(CC1=CSC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304086	0	42	-1.0	-44.09	360.88	6.99	-37.10
CN(CC1=CSC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304086	1	42	-1.0	-44.00	360.91	6.98	-37.02
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020304087	0	50	-1.0	-42.34	407.46	9.14	-33.20
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020304087	1	50	-1.0	-42.35	407.52	9.15	-33.20
CN(C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1)S(C)(=O)=O	REAL300020304088	0	47	-1.0	-48.51	391.22	3.32	-45.19
CN(C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1)S(C)(=O)=O	REAL300020304088	1	47	-1.0	-48.49	391.27	3.35	-45.14
CC(C)(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304089	0	48	-1.0	-38.84	371.39	7.34	-31.50
CC(C)(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304089	1	48	-1.0	-38.88	371.44	7.36	-31.52
CC(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304090	0	45	-1.0	-41.47	348.03	6.93	-34.54
CC(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304090	1	45	-1.0	-41.46	348.09	6.95	-34.51
CC(C)(C)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304091	0	52	-1.0	-41.25	392.16	9.52	-31.73
CC(C)(C)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304091	1	52	-1.0	-41.23	392.19	9.51	-31.72
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020304092	0	48	-1.0	-38.89	369.61	8.11	-30.78
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020304092	1	48	-1.0	-38.89	369.67	8.12	-30.77
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020304093	0	45	-1.0	-41.31	351.03	7.26	-34.05
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020304093	1	45	-1.0	-41.29	351.08	7.28	-34.01
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1(C)C	REAL300020304094	0	52	-1.0	-39.95	396.54	10.04	-29.91
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1(C)C	REAL300020304094	1	52	-1.0	-39.94	396.57	10.03	-29.91
CC1OCCC12CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CCO2	REAL300020304095	0	48	-1.0	-39.89	381.29	4.44	-35.45
CC1OCCC12CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CCO2	REAL300020304095	1	48	-1.0	-39.93	381.35	4.46	-35.47
CC1OCCC12CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CCO2	REAL300020304096	0	45	-1.0	-41.14	363.52	4.07	-37.07
CC1OCCC12CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CCO2	REAL300020304096	1	45	-1.0	-41.12	363.58	4.10	-37.02
CC1OCCC12CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC(C)O2	REAL300020304097	0	51	-1.0	-39.66	397.19	6.86	-32.80
CC1OCCC12CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC(C)O2	REAL300020304097	1	51	-1.0	-39.65	397.25	6.87	-32.78
CC1OCCC12CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC(C)O2	REAL300020304098	0	48	-1.0	-42.66	371.52	6.03	-36.63
CC1OCCC12CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC(C)O2	REAL300020304098	1	48	-1.0	-42.65	371.58	6.06	-36.59
CC(C)OC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304099	0	54	-1.0	-40.86	436.19	9.38	-31.48
CC(C)OC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304099	1	54	-1.0	-40.91	436.25	9.39	-31.52
CC(C)OC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304100	0	51	-1.0	-42.12	415.21	8.39	-33.73
CC(C)OC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304100	1	51	-1.0	-42.11	415.27	8.42	-33.69
COC(=O)C1=CN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)N=N1	REAL300020304101	0	45	-1.0	-45.64	388.26	4.83	-40.81
COC(=O)C1=CN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)N=N1	REAL300020304101	1	45	-1.0	-45.64	388.20	4.81	-40.83
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1C1=CC=CC(F)=C1	REAL300020304102	0	44	-1.0	-43.94	383.38	7.01	-36.93
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1C1=CC=CC(F)=C1	REAL300020304102	1	44	-1.0	-43.96	383.44	7.04	-36.92
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC12CCCCC2	REAL300020304103	0	55	-1.0	-39.24	403.02	9.66	-29.58
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC12CCCCC2	REAL300020304103	1	55	-1.0	-39.24	403.08	9.67	-29.57
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC12CCCCC2	REAL300020304104	0	52	-1.0	-42.72	371.13	8.33	-34.39
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC12CCCCC2	REAL300020304104	1	52	-1.0	-42.72	371.19	8.36	-34.36
CCC1(CC)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCS1	REAL300020304105	0	49	-1.0	-37.99	386.66	8.60	-29.39
CCC1(CC)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCS1	REAL300020304105	1	49	-1.0	-37.98	386.72	8.61	-29.37
CCC1(CC)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCS1	REAL300020304106	0	46	-1.0	-39.80	364.02	8.10	-31.70
CCC1(CC)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCS1	REAL300020304106	1	46	-1.0	-39.75	364.07	8.12	-31.63
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020304107	0	48	-1.0	-39.27	383.24	7.09	-32.18
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020304107	1	48	-1.0	-39.26	383.29	7.10	-32.16
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020304108	0	45	-1.0	-41.12	361.17	6.34	-34.78
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020304108	1	45	-1.0	-41.16	361.22	6.36	-34.80
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020304109	0	43	-1.0	-39.13	345.38	7.50	-31.63
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020304109	1	43	-1.0	-39.15	345.44	7.52	-31.63
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020304110	0	40	-1.0	-40.78	332.63	6.81	-33.97
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020304110	1	40	-1.0	-40.77	332.69	6.84	-33.93
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020304111	0	47	-1.0	-40.53	380.21	9.80	-30.73
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020304111	1	47	-1.0	-40.53	380.30	9.79	-30.74
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304112	0	51	-1.0	-38.62	385.21	8.19	-30.43
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304112	1	51	-1.0	-38.58	385.27	8.21	-30.37
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304113	0	48	-1.0	-39.93	359.80	7.42	-32.51
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304113	1	48	-1.0	-39.95	359.85	7.44	-32.51
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304114	0	55	-1.0	-39.82	413.72	10.17	-29.65
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304114	1	55	-1.0	-39.80	413.76	10.16	-29.64
O=C1NC2=CC=CC=C2C12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020304115	0	48	-1.0	-45.12	393.25	6.28	-38.84
O=C1NC2=CC=CC=C2C12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020304115	1	48	-1.0	-45.14	393.31	6.29	-38.85
O=C1NC2=CC=CC=C2C12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020304116	0	45	-1.0	-46.84	371.75	5.50	-41.34
O=C1NC2=CC=CC=C2C12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020304116	1	45	-1.0	-46.85	371.80	5.52	-41.33
CC(C)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304117	0	51	-1.0	-38.55	380.96	7.89	-30.66
CC(C)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304117	1	51	-1.0	-38.51	381.01	7.91	-30.60
CC(C)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304118	0	48	-1.0	-40.47	362.58	7.44	-33.03
CC(C)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304118	1	48	-1.0	-40.47	362.64	7.46	-33.01
CC(C)C1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304119	0	55	-1.0	-40.09	411.22	10.25	-29.84
CC(C)C1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304119	1	55	-1.0	-40.11	411.27	10.24	-29.87
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304120	0	48	-1.0	-39.59	376.39	8.27	-31.32
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304120	1	48	-1.0	-39.61	376.45	8.28	-31.33
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304121	0	45	-1.0	-41.52	353.61	7.46	-34.06
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304121	1	45	-1.0	-41.52	353.66	7.49	-34.03
CC(C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304122	0	52	-1.0	-41.06	404.81	10.23	-30.83
CC(C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304122	1	52	-1.0	-41.01	404.85	10.23	-30.78
COCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304123	0	50	-1.0	-40.63	410.74	5.54	-35.09
COCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304123	1	50	-1.0	-40.63	410.80	5.55	-35.08
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304124	0	47	-1.0	-43.38	386.10	4.86	-38.52
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304124	1	47	-1.0	-43.39	386.15	4.89	-38.50
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304125	0	43	-1.0	-40.00	347.42	5.15	-34.85
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304125	1	43	-1.0	-40.00	347.48	5.17	-34.83
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304126	0	40	-1.0	-41.62	329.42	4.55	-37.07
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304126	1	40	-1.0	-41.63	329.48	4.58	-37.05
COCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304127	0	47	-1.0	-41.11	379.37	7.15	-33.96
COCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304127	1	47	-1.0	-41.08	379.40	7.14	-33.94
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304128	0	48	-1.0	-39.83	363.96	8.07	-31.76
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304128	1	48	-1.0	-39.83	364.02	8.09	-31.74
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304129	0	45	-1.0	-40.45	337.04	7.40	-33.05
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304129	1	45	-1.0	-40.48	337.10	7.43	-33.05
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304130	0	52	-1.0	-41.17	391.58	9.40	-31.77
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304130	1	52	-1.0	-41.20	391.61	9.40	-31.80
COC(=O)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304131	0	51	-1.0	-42.91	417.30	8.36	-34.55
COC(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304131	1	51	-1.0	-42.89	417.35	8.38	-34.51
COC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304132	0	48	-1.0	-44.50	395.79	7.58	-36.92
COC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304132	1	48	-1.0	-44.52	395.85	7.60	-36.92
CC1(C2=CC=CC=C2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304133	0	50	-1.0	-40.51	405.42	8.37	-32.14
CC1(C2=CC=CC=C2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304133	1	50	-1.0	-40.52	405.48	8.38	-32.14
CC1(C2=CC=CC=C2)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304134	0	47	-1.0	-43.40	380.27	7.69	-35.71
CC1(C2=CC=CC=C2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304134	1	47	-1.0	-43.40	380.33	7.71	-35.69
C=CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304135	0	43	-1.0	-38.65	356.25	7.44	-31.21
C=CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304135	1	43	-1.0	-38.59	356.31	7.45	-31.14
C=CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304136	0	40	-1.0	-40.60	334.80	6.68	-33.92
C=CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304136	1	40	-1.0	-40.58	334.74	6.65	-33.93
C=CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304137	0	47	-1.0	-40.09	383.18	9.40	-30.69
C=CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304137	1	47	-1.0	-40.05	383.21	9.40	-30.65
CC(C)(C)OC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304138	0	53	-1.0	-45.75	426.76	5.31	-40.44
CC(C)(C)OC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304138	1	53	-1.0	-45.77	426.82	5.34	-40.43
CC(C)(C)OC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304139	0	53	-1.0	-43.06	426.48	5.32	-37.74
CC(C)(C)OC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304139	1	53	-1.0	-43.01	426.54	5.34	-37.67
CN(CC1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304140	0	50	-1.0	-44.24	424.38	7.16	-37.08
CN(CC1=CC=C(C(=O)NC2CC2)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304140	1	50	-1.0	-44.26	424.43	7.17	-37.09
CC(C)NC(=O)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304141	0	50	-1.0	-43.15	413.41	3.48	-39.67
CC(C)NC(=O)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304141	1	50	-1.0	-43.11	413.47	3.50	-39.61
O=C(NC1CC1)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304142	0	48	-1.0	-43.65	400.04	3.64	-40.01
O=C(NC1CC1)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304142	1	48	-1.0	-43.69	400.09	3.66	-40.03
CCCC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304143	0	52	-1.0	-45.66	424.36	6.20	-39.46
CCCC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304143	1	52	-1.0	-45.65	424.41	6.22	-39.43
CCCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304144	0	49	-1.0	-48.38	402.85	5.42	-42.96
CCCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304144	1	49	-1.0	-48.42	402.91	5.44	-42.98
CC(C)C(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304145	0	52	-1.0	-44.77	418.80	6.22	-38.55
CC(C)C(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304145	1	52	-1.0	-44.77	418.86	6.23	-38.54
CC(C)C(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304146	0	49	-1.0	-46.21	397.76	5.44	-40.77
CC(C)C(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304146	1	49	-1.0	-46.24	397.82	5.46	-40.78
COCC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304147	0	50	-1.0	-49.04	415.58	4.80	-44.24
COCC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304147	1	50	-1.0	-49.06	415.64	4.82	-44.24
COCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304148	0	47	-1.0	-51.90	394.07	4.02	-47.88
COCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304148	1	47	-1.0	-51.90	394.13	4.04	-47.86
O=C(NC1CC1)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304149	0	48	-1.0	-43.65	400.04	3.64	-40.01
O=C(NC1CC1)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304149	1	48	-1.0	-43.69	400.09	3.66	-40.03
O=C(NCC1CC1)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304150	0	53	-1.0	-47.49	429.75	6.70	-40.79
O=C(NCC1CC1)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304150	1	53	-1.0	-47.54	429.80	6.71	-40.83
O=C(NCC1CC1)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304151	0	50	-1.0	-48.17	411.96	6.04	-42.13
O=C(NCC1CC1)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304151	1	50	-1.0	-48.17	412.01	6.06	-42.11
COCCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304152	0	53	-1.0	-44.86	435.59	4.34	-40.52
COCCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304152	1	53	-1.0	-44.87	435.65	4.36	-40.51
CC(=O)NCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304153	0	49	-1.0	-46.76	401.30	5.52	-41.24
CC(=O)NCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304153	1	49	-1.0	-46.79	401.35	5.53	-41.26
CC(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304154	0	46	-1.0	-49.83	380.32	4.53	-45.30
CC(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304154	1	46	-1.0	-49.82	380.38	4.56	-45.26
CC(=O)NCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304155	0	49	-1.0	-44.80	402.43	5.34	-39.46
CC(=O)NCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304155	1	49	-1.0	-44.84	402.48	5.35	-39.49
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304156	0	46	-1.0	-46.23	380.90	4.56	-41.67
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304156	1	46	-1.0	-46.27	380.96	4.59	-41.68
CC(C)(C)OC(=O)N[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304157	0	53	-1.0	-42.16	419.59	5.38	-36.78
CC(C)(C)OC(=O)N[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304157	1	53	-1.0	-42.15	419.65	5.39	-36.76
CC(C)(C)OC(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304158	0	50	-1.0	-43.49	398.17	4.59	-38.90
CC(C)(C)OC(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304158	1	50	-1.0	-43.45	398.22	4.61	-38.84
CCOCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304159	0	51	-1.0	-40.90	409.07	4.54	-36.36
CCOCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304159	1	51	-1.0	-40.88	409.13	4.55	-36.33
CCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304159	1	52	0.0	-65.18	409.91	6.85	-58.33
CCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304160	0	48	-1.0	-42.98	391.01	3.86	-39.12
CCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304160	1	48	-1.0	-42.98	391.07	3.88	-39.10
CCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304160	1	49	0.0	-62.63	387.93	6.25	-56.38
CC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020304161	0	51	-1.0	-39.82	412.50	7.88	-31.94
CC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020304161	1	51	-1.0	-39.84	412.55	7.89	-31.95
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020304162	0	48	-1.0	-41.50	390.31	7.30	-34.20
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020304162	1	48	-1.0	-41.48	390.37	7.32	-34.16
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304163	0	42	-1.0	-40.30	348.78	7.75	-32.55
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304163	1	42	-1.0	-40.31	348.82	7.74	-32.57
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020304164	0	52	0.0	-65.88	398.02	8.27	-57.61
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020304164	1	52	0.0	-65.93	398.08	8.29	-57.64
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020304165	0	49	0.0	-64.81	376.41	7.69	-57.12
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020304165	1	49	0.0	-64.81	376.47	7.70	-57.11
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3O2)C1	REAL300020304166	0	48	-1.0	-46.80	404.20	6.07	-40.73
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3O2)C1	REAL300020304166	1	48	-1.0	-46.77	404.25	6.09	-40.68
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020304167	0	45	-1.0	-39.01	360.60	5.24	-33.77
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020304167	1	45	-1.0	-39.00	360.66	5.25	-33.75
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020304167	1	46	0.0	-63.09	367.38	7.65	-55.44
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020304168	0	42	-1.0	-41.24	339.11	4.45	-36.79
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020304168	1	42	-1.0	-41.21	339.17	4.48	-36.73
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020304168	1	43	0.0	-59.17	336.12	7.02	-52.15
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020304169	0	49	-1.0	-40.57	388.35	7.20	-33.37
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020304169	1	50	0.0	-68.07	399.01	9.70	-58.37
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020304169	1	49	-1.0	-40.53	388.37	7.19	-33.34
CN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304170	0	43	-1.0	-41.16	349.55	5.42	-35.74
CN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304170	1	43	-1.0	-41.14	349.60	5.43	-35.71
CN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304171	0	40	-1.0	-41.42	330.21	4.60	-36.82
CN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304171	1	40	-1.0	-41.43	330.26	4.62	-36.81
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304172	0	47	-1.0	-41.93	379.96	7.44	-34.49
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304172	1	47	-1.0	-41.91	380.00	7.43	-34.48
CC(C)(C)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304173	0	52	-1.0	-44.16	403.55	6.45	-37.71
CC(C)(C)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304173	1	52	-1.0	-44.18	403.61	6.47	-37.71
CC(C)(C)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304174	0	49	-1.0	-44.07	386.38	5.84	-38.23
CC(C)(C)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304174	1	49	-1.0	-44.04	386.44	5.86	-38.18
CN(C(=O)OC(C)(C)C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304175	0	53	-1.0	-47.95	415.11	6.85	-41.10
CN(C(=O)OC(C)(C)C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304175	1	53	-1.0	-47.95	415.16	6.88	-41.07
N#CC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)N=C1	REAL300020304176	0	48	-1.0	-42.78	409.60	7.01	-35.77
N#CC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)N=C1	REAL300020304176	1	48	-1.0	-42.77	409.54	7.00	-35.77
N#CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)N=C1	REAL300020304177	0	45	-1.0	-43.56	387.36	6.44	-37.12
N#CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)N=C1	REAL300020304177	1	45	-1.0	-43.55	387.31	6.41	-37.14
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020304178	0	39	-1.0	-40.08	334.03	6.42	-33.66
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020304178	1	39	-1.0	-40.09	334.09	6.44	-33.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020304179	0	36	-1.0	-41.31	312.24	5.62	-35.69
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020304179	1	36	-1.0	-41.33	312.29	5.65	-35.68
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020304180	0	43	-1.0	-41.87	362.44	8.45	-33.42
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020304180	1	43	-1.0	-41.88	362.48	8.44	-33.44
CC1=CC=C(C)C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020304181	0	54	-1.0	-39.05	432.67	9.14	-29.91
CC1=CC=C(C)C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020304181	1	54	-1.0	-39.11	432.72	9.15	-29.96
CC1=CC=C(C)C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020304182	0	51	-1.0	-41.04	414.89	8.48	-32.56
CC1=CC=C(C)C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020304182	1	51	-1.0	-41.00	414.96	8.51	-32.49
COCC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304183	0	47	-1.0	-47.70	387.46	5.20	-42.50
COCC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304183	1	47	-1.0	-47.69	387.51	5.21	-42.48
COCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304184	0	44	-1.0	-50.34	369.65	4.53	-45.81
COCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304184	1	44	-1.0	-50.36	369.71	4.55	-45.81
O=C(C1=CC=CC=N1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304185	0	46	-1.0	-47.91	386.28	6.23	-41.68
O=C(C1=CC=CC=N1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304185	1	46	-1.0	-47.91	386.23	6.21	-41.70
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020304186	0	48	-1.0	-43.54	400.84	6.74	-36.80
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020304186	1	48	-1.0	-43.56	400.89	6.76	-36.80
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020304187	0	44	-1.0	-42.71	384.18	6.35	-36.36
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020304187	1	44	-1.0	-42.71	384.13	6.32	-36.39
CN(CC1=CC=CC(Br)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304188	0	39	-1.0	-39.79	357.63	7.78	-32.01
CN(CC1=CC=CC(Br)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304188	1	39	-1.0	-39.78	357.69	7.80	-31.98
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020304189	0	45	-1.0	-39.04	379.57	8.56	-30.48
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020304189	1	45	-1.0	-39.01	379.63	8.58	-30.43
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020304190	0	42	-1.0	-40.99	357.79	7.85	-33.14
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020304190	1	42	-1.0	-40.93	357.74	7.84	-33.09
CC1=CC=CC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=C1	REAL300020304191	0	49	-1.0	-41.58	396.36	10.65	-30.93
CC1=CC=CC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=C1	REAL300020304191	1	49	-1.0	-41.58	396.38	10.63	-30.95
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304192	0	42	-1.0	-41.54	364.27	8.16	-33.38
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304192	1	42	-1.0	-41.54	364.32	8.18	-33.36
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304193	0	39	-1.0	-41.81	349.04	7.29	-34.52
CN(CC1=CC=C(F)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304193	1	39	-1.0	-41.86	349.10	7.32	-34.54
CN(CC1=CC=C(Br)O1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304194	0	39	-1.0	-38.52	362.18	6.89	-31.63
CN(CC1=CC=C(Br)O1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304194	1	39	-1.0	-38.54	362.23	6.90	-31.64
CN(CC1=CC=C(Br)O1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304195	0	36	-1.0	-43.28	332.87	6.15	-37.13
CN(CC1=CC=C(Br)O1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304195	1	36	-1.0	-43.27	332.93	6.18	-37.09
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304196	0	43	-1.0	-41.79	372.41	8.44	-33.35
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304196	1	43	-1.0	-41.85	372.47	8.45	-33.40
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304197	0	40	-1.0	-42.30	357.24	7.57	-34.73
CN(CC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304197	1	40	-1.0	-42.30	357.19	7.56	-34.74
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304198	0	43	-1.0	-41.63	379.00	8.29	-33.34
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304198	1	43	-1.0	-41.63	379.06	8.30	-33.33
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304199	0	40	-1.0	-42.11	357.23	7.58	-34.53
CN(CC1=CC=C(C#N)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304199	1	40	-1.0	-42.17	357.16	7.56	-34.61
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C)(C)C1	REAL300020304200	0	51	-1.0	-38.37	393.21	8.33	-30.04
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C)(C)C1	REAL300020304200	1	51	-1.0	-38.36	393.27	8.34	-30.02
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C)(C)C1	REAL300020304201	0	48	-1.0	-40.86	375.43	7.66	-33.20
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C)(C)C1	REAL300020304201	1	48	-1.0	-40.86	375.49	7.68	-33.18
CC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC(C)(C)C1	REAL300020304202	0	55	-1.0	-39.70	425.22	10.45	-29.25
CC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC(C)(C)C1	REAL300020304202	1	55	-1.0	-39.64	425.26	10.44	-29.20
CSC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304203	0	46	-1.0	-40.62	396.98	8.89	-31.73
CSC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304203	1	46	-1.0	-40.63	397.03	8.90	-31.73
CSC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304204	0	43	-1.0	-43.04	366.00	7.92	-35.12
CSC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304204	1	43	-1.0	-43.04	365.96	7.90	-35.14
CC(C)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304205	0	51	-1.0	-38.77	396.99	8.71	-30.06
CC(C)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304205	1	51	-1.0	-38.80	397.05	8.73	-30.07
CC(C)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304206	0	48	-1.0	-41.65	379.06	8.06	-33.59
CC(C)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304206	1	48	-1.0	-41.72	379.12	8.08	-33.64
CC(C)CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304207	0	55	-1.0	-40.96	418.45	10.85	-30.11
CC(C)CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304207	1	55	-1.0	-40.94	418.49	10.84	-30.10
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020304208	0	56	0.0	-63.50	431.90	8.42	-55.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020304208	1	56	0.0	-63.54	431.95	8.43	-55.11
CC(C)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020304209	0	49	-1.0	-41.76	390.80	6.68	-35.08
CC(C)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020304209	1	49	-1.0	-41.75	390.86	6.70	-35.05
CC(C)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020304210	0	46	-1.0	-42.56	369.31	5.89	-36.67
CC(C)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020304210	1	46	-1.0	-42.55	369.37	5.91	-36.64
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020304211	0	46	-1.0	-42.68	375.40	5.34	-37.34
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020304211	1	46	-1.0	-42.71	375.34	5.33	-37.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020304212	0	43	-1.0	-43.82	353.30	4.82	-39.00
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020304212	1	43	-1.0	-43.84	353.25	4.79	-39.05
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020304213	0	46	-1.0	-38.84	387.44	8.64	-30.20
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020304213	1	46	-1.0	-38.87	387.49	8.65	-30.22
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020304214	0	43	-1.0	-40.07	365.49	8.04	-32.03
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020304214	1	43	-1.0	-40.06	365.54	8.05	-32.01
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020304215	0	46	-1.0	-40.78	389.20	9.42	-31.36
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020304215	1	46	-1.0	-40.82	389.26	9.43	-31.39
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020304216	0	43	-1.0	-44.85	373.89	8.65	-36.20
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020304216	1	43	-1.0	-44.80	373.84	8.62	-36.18
CCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304217	0	45	-1.0	-41.34	357.62	7.66	-33.68
CCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304217	1	45	-1.0	-41.33	357.66	7.66	-33.67
O=C(NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1)C1CC1	REAL300020304218	0	50	-1.0	-45.10	409.09	6.28	-38.82
O=C(NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1)C1CC1	REAL300020304218	1	50	-1.0	-45.12	409.15	6.30	-38.82
O=C(NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1)C1CC1	REAL300020304219	0	47	-1.0	-45.84	387.29	5.68	-40.16
O=C(NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1)C1CC1	REAL300020304219	1	47	-1.0	-45.85	387.34	5.70	-40.15
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020304220	0	45	-1.0	-45.70	386.08	6.78	-38.92
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020304220	1	45	-1.0	-45.67	386.14	6.80	-38.87
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@@H]1OC	REAL300020304221	0	44	-1.0	-42.63	360.59	4.45	-38.18
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1OC	REAL300020304221	1	44	-1.0	-42.65	360.65	4.46	-38.19
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@@H]1OC	REAL300020304222	0	41	-1.0	-45.49	341.73	3.80	-41.69
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1OC	REAL300020304222	1	41	-1.0	-45.50	341.79	3.83	-41.67
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C[C@@H]1OC	REAL300020304223	0	48	-1.0	-44.32	391.56	6.57	-37.75
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C[C@@H]1OC	REAL300020304223	1	48	-1.0	-44.32	391.60	6.56	-37.76
CCOC(C)C1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020304224	0	50	-1.0	-40.84	427.11	4.07	-36.77
CCOC(C)C1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020304224	1	50	-1.0	-40.83	427.17	4.08	-36.75
CCOC(C)C1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020304225	0	47	-1.0	-41.59	405.29	3.51	-38.08
CCOC(C)C1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020304225	1	47	-1.0	-41.47	405.27	3.56	-37.91
CCOC(C)C1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=CS1	REAL300020304226	0	48	-1.0	-45.43	412.75	5.73	-39.70
CCOC(C)C1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=CS1	REAL300020304226	1	48	-1.0	-45.43	412.81	5.75	-39.68
O=C1CCCCN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304227	0	53	-1.0	-42.96	415.95	7.73	-35.23
O=C1CCCCN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304227	1	53	-1.0	-42.99	416.01	7.75	-35.24
O=C1CCCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304228	0	50	-1.0	-44.25	390.10	7.03	-37.22
O=C1CCCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304228	1	50	-1.0	-44.20	390.16	7.05	-37.15
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304229	0	54	0.0	-68.09	408.25	8.84	-59.25
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304229	1	54	0.0	-68.58	405.40	8.63	-59.95
CCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304229	1	54	0.0	-68.10	408.30	8.85	-59.25
CCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304229	1	54	0.0	-68.60	405.46	8.64	-59.96
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304230	0	51	0.0	-66.12	391.55	8.21	-57.91
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304230	1	51	0.0	-68.75	388.69	7.98	-60.77
CCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304230	1	51	0.0	-66.11	391.61	8.24	-57.87
CCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304230	1	51	0.0	-68.79	388.75	8.01	-60.78
COCCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304231	0	50	-1.0	-41.51	403.68	5.39	-36.12
COCCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304231	1	50	-1.0	-41.52	403.74	5.40	-36.12
COCCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304232	0	47	-1.0	-43.69	390.58	4.74	-38.95
COCCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304232	1	47	-1.0	-43.71	390.63	4.77	-38.94
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020304233	0	55	-1.0	-39.47	399.85	10.14	-29.33
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020304233	1	55	-1.0	-39.44	399.90	10.15	-29.29
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020304234	0	52	-1.0	-41.63	381.37	9.25	-32.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020304234	1	52	-1.0	-41.62	381.42	9.27	-32.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020304235	0	47	-1.0	-41.56	387.23	9.60	-31.96
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020304235	1	47	-1.0	-41.56	387.29	9.63	-31.93
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020304236	0	46	-1.0	-41.46	394.13	9.64	-31.82
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020304236	1	46	-1.0	-41.49	394.19	9.67	-31.82
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304237	0	52	-1.0	-39.08	413.38	10.19	-28.89
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304237	1	52	-1.0	-39.07	413.44	10.20	-28.87
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304238	0	49	-1.0	-40.22	391.32	9.59	-30.63
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304238	1	49	-1.0	-40.22	391.38	9.61	-30.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020304239	0	51	-1.0	-41.71	411.03	8.63	-33.08
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020304239	1	51	-1.0	-41.74	411.09	8.65	-33.09
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020304240	0	48	-1.0	-43.98	393.23	7.99	-35.99
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020304240	1	48	-1.0	-43.94	393.29	8.01	-35.93
CN1CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C1=O	REAL300020304241	0	50	-1.0	-49.80	394.58	6.66	-43.14
CN1CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C1=O	REAL300020304241	1	50	-1.0	-49.78	394.64	6.67	-43.11
CN1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C1=O	REAL300020304242	0	47	-1.0	-51.39	371.71	6.01	-45.38
CN1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C1=O	REAL300020304242	1	47	-1.0	-51.37	371.78	6.02	-45.35
CN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304243	0	48	-1.0	-40.99	381.17	6.29	-34.70
CN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304243	1	48	-1.0	-41.03	381.22	6.31	-34.72
CN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304244	0	45	-1.0	-40.42	353.35	5.66	-34.76
CN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304244	1	45	-1.0	-40.77	352.60	5.67	-35.10
CN(CCOC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304245	0	52	-1.0	-40.67	416.84	8.20	-32.47
CN(CCOC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304245	1	52	-1.0	-40.73	416.89	8.19	-32.54
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C2=CSC=C2)O1	REAL300020304246	0	47	-1.0	-40.00	405.31	7.37	-32.63
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C2=CSC=C2)O1	REAL300020304246	1	47	-1.0	-40.02	405.36	7.39	-32.63
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C2=CSC=C2)O1	REAL300020304247	0	44	-1.0	-41.26	379.74	6.64	-34.62
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C2=CSC=C2)O1	REAL300020304247	1	44	-1.0	-41.29	379.80	6.66	-34.63
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020304248	0	53	-1.0	-38.72	395.71	8.41	-30.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020304248	1	53	-1.0	-38.71	395.77	8.43	-30.28
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020304249	0	50	-1.0	-41.04	379.93	7.32	-33.72
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020304249	1	50	-1.0	-41.06	379.99	7.34	-33.72
CC(C)(C)C(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304250	0	55	-1.0	-49.29	439.35	6.58	-42.71
CC(C)(C)C(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304250	1	55	-1.0	-49.32	439.41	6.61	-42.71
CCCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304251	0	52	-1.0	-43.10	423.42	6.06	-37.04
CCCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304251	1	52	-1.0	-43.09	423.48	6.08	-37.01
CCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304252	0	49	-1.0	-43.96	401.92	5.28	-38.68
CCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304252	1	49	-1.0	-43.98	401.97	5.30	-38.68
CNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304253	0	46	-1.0	-48.59	379.62	4.62	-43.97
CNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304253	1	46	-1.0	-48.59	379.68	4.64	-43.95
CNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304254	0	43	-1.0	-52.80	358.64	3.64	-49.16
CNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304254	1	43	-1.0	-52.81	358.70	3.67	-49.14
CNC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304255	0	50	-1.0	-50.82	395.96	6.49	-44.33
CNC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304255	1	50	-1.0	-50.85	396.07	6.48	-44.37
CC(=O)NCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304256	0	47	-1.0	-46.11	391.12	3.06	-43.05
CC(=O)NCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304256	1	47	-1.0	-46.15	391.17	3.07	-43.08
CC(=O)NCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304257	0	44	-1.0	-48.95	374.02	2.20	-46.75
CC(=O)NCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304257	1	44	-1.0	-48.98	374.09	2.23	-46.75
O=C1CC2(CN1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020304258	0	47	-1.0	-46.56	375.40	4.03	-42.53
O=C1CC2(CN1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020304258	1	47	-1.0	-46.56	375.46	4.04	-42.52
O=C1CC2(CN1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020304259	0	44	-1.0	-47.77	357.63	3.37	-44.40
O=C1CC2(CN1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020304259	1	44	-1.0	-47.84	357.69	3.39	-44.45
CNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304260	0	45	-1.0	-45.78	372.01	4.08	-41.70
CNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304260	1	45	-1.0	-45.78	372.07	4.09	-41.69
CNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304261	0	42	-1.0	-48.35	350.64	3.26	-45.09
CNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304261	1	42	-1.0	-48.34	350.70	3.28	-45.06
O=C(NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1)C1=CC=CC=C1	REAL300020304262	0	50	-1.0	-47.41	413.61	7.07	-40.34
O=C(NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1)C1=CC=CC=C1	REAL300020304262	1	50	-1.0	-47.43	413.66	7.10	-40.33
CNC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304263	0	49	-1.0	-46.76	399.05	5.16	-41.60
CNC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304263	1	49	-1.0	-46.76	399.11	5.18	-41.58
CNC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304264	0	46	-1.0	-50.28	377.54	4.38	-45.90
CNC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304264	1	46	-1.0	-50.24	377.60	4.40	-45.84
O=C1NCCCN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304265	0	52	-1.0	-44.63	407.40	5.43	-39.20
O=C1NCCCN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304265	1	52	-1.0	-44.63	407.46	5.44	-39.19
O=C1NCCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304266	0	49	-1.0	-46.40	385.45	4.83	-41.57
O=C1NCCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304266	1	49	-1.0	-46.39	385.51	4.84	-41.55
CC(C)(C)NC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304267	0	54	-1.0	-44.49	427.34	6.10	-38.39
CC(C)(C)NC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304267	1	54	-1.0	-44.48	427.39	6.12	-38.36
CC(C)(C)NC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304268	0	51	-1.0	-47.12	405.96	5.30	-41.82
CC(C)(C)NC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304268	1	51	-1.0	-47.16	406.01	5.32	-41.84
CNC(=O)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304269	0	45	-1.0	-44.61	372.75	4.19	-40.42
CNC(=O)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304269	1	45	-1.0	-44.64	372.80	4.20	-40.44
CNC(=O)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304270	0	42	-1.0	-44.59	354.47	3.36	-41.23
CNC(=O)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304270	1	42	-1.0	-44.60	354.52	3.38	-41.22
CNC(=O)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304271	0	49	-1.0	-45.67	408.39	6.09	-39.58
CNC(=O)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304271	1	49	-1.0	-45.64	408.43	6.08	-39.56
CN1C(=O)NC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C1=O	REAL300020304272	0	48	-1.0	-42.90	395.84	3.90	-39.00
CN1C(=O)NC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C1=O	REAL300020304272	1	48	-1.0	-42.92	395.89	3.91	-39.01
CN1C(=O)NC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C1=O	REAL300020304273	0	45	-1.0	-44.00	378.07	3.25	-40.75
CN1C(=O)NC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C1=O	REAL300020304273	1	45	-1.0	-44.00	378.12	3.28	-40.72
CN(CCCNC(=O)C1CCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304274	0	52	-1.0	-46.96	415.70	6.13	-40.83
CN(CCCNC(=O)C1CCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304274	1	52	-1.0	-47.02	415.76	6.15	-40.87
CN(CCCNC(=O)C1CCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304275	0	49	-1.0	-47.07	393.09	5.67	-41.40
CN(CCCNC(=O)C1CCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304275	1	49	-1.0	-47.06	393.14	5.68	-41.38
O=C(NC1CC1)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304276	0	49	-1.0	-44.52	398.48	4.29	-40.23
O=C(NC1CC1)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304276	1	49	-1.0	-44.55	398.53	4.31	-40.24
O=C(NC1CC1)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304277	0	46	-1.0	-45.83	378.79	3.48	-42.35
O=C(NC1CC1)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304277	1	46	-1.0	-45.79	378.85	3.50	-42.29
CNC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304278	0	46	-1.0	-47.54	372.88	4.27	-43.27
CNC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304278	1	46	-1.0	-47.54	372.93	4.29	-43.25
CNC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304279	0	43	-1.0	-47.47	351.37	3.49	-43.98
CNC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304279	1	43	-1.0	-47.49	351.43	3.51	-43.98
CNC(=O)C1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304280	0	50	-1.0	-52.37	396.94	6.09	-46.28
CNC(=O)C1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304280	1	50	-1.0	-52.42	396.98	6.07	-46.35
CC(C)(C)OC(=O)N[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304281	0	53	-1.0	-42.44	422.74	5.37	-37.07
CC(C)(C)OC(=O)N[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304281	1	53	-1.0	-42.45	422.80	5.39	-37.06
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1NC(=O)OC(C)(C)C	REAL300020304282	0	53	-1.0	-44.10	419.71	5.06	-39.04
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1NC(=O)OC(C)(C)C	REAL300020304282	1	53	-1.0	-44.05	419.76	5.09	-38.96
CNC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304283	0	44	-1.0	-46.85	369.34	3.11	-43.74
CNC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304283	1	44	-1.0	-46.87	369.40	3.13	-43.74
CNC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304284	0	41	-1.0	-47.08	350.96	2.68	-44.40
CNC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304284	1	41	-1.0	-47.08	351.01	2.70	-44.38
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304285	0	45	-1.0	-48.30	363.66	4.49	-43.81
CNC(=O)C(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304285	1	45	-1.0	-48.32	363.72	4.50	-43.82
CNC(=O)C(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304286	0	42	-1.0	-48.48	355.45	3.43	-45.05
CNC(=O)C(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304286	1	42	-1.0	-48.46	355.50	3.45	-45.01
CNC(=O)C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304287	0	49	-1.0	-48.29	400.18	6.64	-41.65
CNC(=O)C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304287	1	49	-1.0	-48.32	400.22	6.63	-41.69
O=C1NC2(CO1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020304288	0	45	-1.0	-47.78	367.84	3.69	-44.09
O=C1NC2(CO1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020304288	1	45	-1.0	-47.79	367.89	3.71	-44.08
O=C1NC2(CO1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020304289	0	42	-1.0	-49.12	350.13	2.82	-46.30
O=C1NC2(CO1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020304289	1	42	-1.0	-49.09	350.19	2.85	-46.24
O=C1NCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCN12	REAL300020304290	0	43	-1.0	-46.00	354.81	3.04	-42.96
O=C1NCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCN12	REAL300020304290	1	43	-1.0	-45.95	354.87	3.07	-42.88
O=C1NCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN12	REAL300020304291	0	40	-1.0	-45.60	337.05	2.40	-43.20
O=C1NCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN12	REAL300020304291	1	40	-1.0	-45.66	337.10	2.42	-43.24
O=C1NCC2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CCN12	REAL300020304292	0	47	-1.0	-47.91	385.20	5.13	-42.78
O=C1NCC2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CCN12	REAL300020304292	1	47	-1.0	-47.94	385.42	5.13	-42.81
O=C1NCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCN2C1=O	REAL300020304293	0	45	-1.0	-51.76	369.91	3.03	-48.73
O=C1NCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCN2C1=O	REAL300020304293	1	45	-1.0	-51.73	369.96	3.05	-48.68
O=C1NCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN2C1=O	REAL300020304294	0	42	-1.0	-53.51	352.42	2.59	-50.92
O=C1NCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN2C1=O	REAL300020304294	1	42	-1.0	-53.51	352.48	2.61	-50.90
CC(C)C(=O)NCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304295	0	48	-1.0	-43.14	392.28	4.92	-38.22
CC(C)C(=O)NCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304295	1	48	-1.0	-43.15	392.34	4.94	-38.21
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304296	0	45	-1.0	-42.78	364.41	4.29	-38.49
CC(C)C(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304296	1	45	-1.0	-42.80	364.46	4.31	-38.49
O=C(NCC(F)(F)F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304297	0	43	-1.0	-44.47	374.09	4.30	-40.17
O=C(NCC(F)(F)F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304297	1	43	-1.0	-44.46	374.14	4.33	-40.13
O=C1N[C@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@@H]2CO1	REAL300020304298	0	45	-1.0	-45.36	369.06	3.68	-41.68
O=C1N[C@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@@H]2CO1	REAL300020304298	1	45	-1.0	-45.41	369.12	3.69	-41.72
O=C1N[C@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@@H]2CO1	REAL300020304299	0	42	-1.0	-45.55	351.05	2.79	-42.76
O=C1N[C@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@@H]2CO1	REAL300020304299	1	42	-1.0	-45.60	351.10	2.82	-42.78
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020304300	0	42	-1.0	-39.30	355.75	7.30	-32.00
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020304300	1	42	-1.0	-39.29	355.81	7.32	-31.97
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020304301	0	39	-1.0	-41.47	335.42	6.55	-34.92
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020304301	1	39	-1.0	-41.51	335.48	6.58	-34.93
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020304302	0	36	-1.0	-41.56	309.75	5.82	-35.74
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020304302	1	36	-1.0	-41.61	309.81	5.84	-35.77
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020304303	0	33	-1.0	-43.07	282.84	5.15	-37.92
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020304303	1	33	-1.0	-43.08	282.90	5.17	-37.91
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020304304	0	40	-1.0	-43.42	338.23	7.79	-35.63
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020304304	1	40	-1.0	-43.40	338.27	7.78	-35.62
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304305	0	51	0.0	-68.52	394.70	6.51	-62.01
CC(C)[NH2+]C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304305	1	51	0.0	-68.56	394.75	6.52	-62.04
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304306	0	48	0.0	-69.20	373.59	5.95	-63.25
CC(C)[NH2+]C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304306	1	48	0.0	-69.26	373.65	5.97	-63.29
CC(C)[NH2+]C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304307	0	55	0.0	-74.00	414.45	8.67	-65.33
CC(C)[NH2+]C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304307	1	55	0.0	-73.98	414.47	8.65	-65.33
CCC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304308	0	46	-1.0	-44.47	378.42	5.93	-38.54
CCC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304308	1	46	-1.0	-44.47	378.48	5.94	-38.53
CCC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304309	0	43	-1.0	-47.45	356.93	5.14	-42.31
CCC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304309	1	43	-1.0	-47.46	356.99	5.17	-42.29
CCC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304310	0	50	-1.0	-46.64	405.34	7.90	-38.74
CCC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304310	1	50	-1.0	-46.63	405.39	7.89	-38.74
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C(F)=C2)C1	REAL300020304311	0	44	-1.0	-42.19	384.12	7.23	-34.96
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C(F)=C2)C1	REAL300020304311	1	44	-1.0	-42.21	384.18	7.26	-34.95
CN(CCN1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304312	0	48	-1.0	-39.94	387.40	3.45	-36.49
CN(CCN1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304312	1	48	-1.0	-39.94	387.46	3.47	-36.47
CN(CCN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304313	0	45	-1.0	-41.63	365.78	2.68	-38.95
CN(CCN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304313	1	45	-1.0	-41.66	365.85	2.70	-38.96
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020304314	0	47	-1.0	-41.77	378.64	7.17	-34.60
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020304314	1	47	-1.0	-41.79	378.70	7.19	-34.60
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020304315	0	44	-1.0	-43.55	376.31	7.20	-36.35
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020304315	1	44	-1.0	-43.57	376.37	7.24	-36.33
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020304316	0	47	-1.0	-42.63	400.05	7.75	-34.88
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020304316	1	47	-1.0	-42.66	400.11	7.77	-34.89
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020304317	0	44	-1.0	-44.48	377.83	7.18	-37.30
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020304317	1	44	-1.0	-44.46	377.89	7.20	-37.26
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304318	0	45	-1.0	-38.63	356.94	7.19	-31.44
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304318	1	45	-1.0	-38.65	357.00	7.20	-31.45
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304319	0	42	-1.0	-40.89	335.46	6.40	-34.49
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304319	1	42	-1.0	-40.91	335.52	6.43	-34.48
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CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCS1	REAL300020304339	0	37	-1.0	-40.46	307.33	5.42	-35.04
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CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCS1	REAL300020304340	0	44	-1.0	-40.82	358.36	8.89	-31.93
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCS1	REAL300020304340	1	44	-1.0	-40.88	358.40	8.89	-31.99
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CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304360	0	42	-1.0	-38.96	368.29	8.56	-30.40
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304360	1	42	-1.0	-38.98	368.34	8.58	-30.40
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304361	0	39	-1.0	-39.85	353.07	7.67	-32.18
CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304361	1	39	-1.0	-39.85	353.12	7.70	-32.15
CN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304362	0	42	-1.0	-39.99	383.48	9.01	-30.98
CN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304362	1	42	-1.0	-40.02	383.53	9.02	-31.00
CN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304363	0	39	-1.0	-40.56	368.24	8.13	-32.43
CN(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304363	1	39	-1.0	-40.59	368.31	8.15	-32.44
CN(CCOC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304364	0	46	-1.0	-40.06	399.37	8.31	-31.75
CN(CCOC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304364	1	46	-1.0	-40.10	399.42	8.32	-31.78
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NC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304366	1	43	-1.0	-48.20	354.82	2.81	-45.39
NC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304367	0	40	-1.0	-48.98	336.99	2.14	-46.84
NC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304367	1	40	-1.0	-48.96	337.05	2.16	-46.80
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CN(CC1=CC=CO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304369	0	39	-1.0	-39.55	340.50	6.15	-33.40
CN(CC1=CC=CO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304369	1	39	-1.0	-39.61	340.56	6.17	-33.44
CN(CC1=CC=CO1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304370	0	36	-1.0	-39.84	305.30	5.66	-34.18
CN(CC1=CC=CO1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304370	1	36	-1.0	-39.83	305.25	5.66	-34.17
CN(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304371	0	43	-1.0	-41.06	368.65	8.18	-32.88
CN(CC1=CC=CO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304371	1	43	-1.0	-41.00	368.72	8.17	-32.83
CN(CC1=CC=C2OCCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304372	0	48	-1.0	-41.76	396.06	7.20	-34.56
CN(CC1=CC=C2OCCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304372	1	48	-1.0	-41.77	396.11	7.21	-34.56
CN(CC1=CC=C2OCCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304373	0	45	-1.0	-42.84	380.84	6.33	-36.51
CN(CC1=CC=C2OCCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304373	1	45	-1.0	-42.84	380.89	6.34	-36.50
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304374	0	51	0.0	-64.90	398.55	8.22	-56.68
CC(C)C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304374	1	51	0.0	-64.89	398.61	8.24	-56.65
CC(C)C[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304375	0	48	0.0	-62.22	372.45	7.51	-54.71
CC(C)C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304375	1	48	0.0	-62.16	372.51	7.53	-54.63
CC(C)C[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304376	0	55	0.0	-70.93	421.60	10.39	-60.54
CC(C)C[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304376	1	55	0.0	-70.89	421.64	10.39	-60.50
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020304377	0	49	-1.0	-38.67	375.63	8.53	-30.14
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020304377	1	49	-1.0	-38.63	375.69	8.54	-30.09
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020304378	0	46	-1.0	-41.68	348.36	7.38	-34.30
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020304378	1	46	-1.0	-41.72	348.42	7.40	-34.32
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCC2C1	REAL300020304379	0	53	-1.0	-40.35	408.18	10.77	-29.58
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCC2C1	REAL300020304379	1	53	-1.0	-40.35	408.22	10.77	-29.58
N#CC1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020304380	0	49	-1.0	-44.96	415.28	7.07	-37.89
N#CC1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020304380	1	49	-1.0	-45.01	415.34	7.09	-37.92
N#CC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020304380	1	50	0.0	-78.93	413.15	9.32	-69.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020304381	0	52	-1.0	-41.18	412.44	4.70	-36.48
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020304381	1	52	-1.0	-41.26	412.50	4.72	-36.54
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020304381	1	53	0.0	-65.91	409.26	7.22	-58.69
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020304382	0	49	-1.0	-41.67	390.44	4.41	-37.26
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020304382	1	49	-1.0	-41.69	390.50	4.42	-37.27
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020304382	1	50	0.0	-64.14	387.42	6.61	-57.53
CC1=CC=CC(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020304383	0	54	-1.0	-40.08	433.63	8.00	-32.08
CC1=CC=CC(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020304383	1	55	0.0	-68.60	436.08	10.26	-58.34
CC1=CC=CC(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020304383	1	54	-1.0	-40.08	433.69	8.01	-32.07
CC1=CC=CC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020304384	0	51	-1.0	-41.93	415.86	7.34	-34.59
CC1=CC=CC(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020304384	1	52	0.0	-66.56	414.10	9.67	-56.89
CC1=CC=CC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020304384	1	51	-1.0	-41.97	415.92	7.36	-34.61
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304385	0	46	-1.0	-44.54	386.09	4.82	-39.72
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304385	1	46	-1.0	-44.52	386.15	4.84	-39.68
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304386	0	43	-1.0	-44.90	370.85	3.96	-40.94
CN(CC1=CC=C(C(N)=O)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304386	1	43	-1.0	-44.94	370.91	3.97	-40.97
O=C(CN1C=NN=N1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304387	0	45	-1.0	-61.41	385.79	4.65	-56.76
O=C(CN1C=NN=N1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304387	1	45	-1.0	-61.40	385.73	4.61	-56.79
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304388	0	54	0.0	-64.55	407.34	8.39	-56.16
CC[NH+](CC)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304388	1	54	0.0	-64.55	407.40	8.41	-56.14
CC[NH+](CC)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304389	0	51	0.0	-63.74	385.84	7.61	-56.13
CC[NH+](CC)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304389	1	51	0.0	-63.76	385.89	7.63	-56.13
CC1=CC=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020304390	0	50	-1.0	-40.65	404.73	8.67	-31.98
CC1=CC=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020304390	1	50	-1.0	-40.67	404.78	8.69	-31.98
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304391	0	45	-1.0	-38.87	357.54	7.64	-31.23
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304391	1	45	-1.0	-38.87	357.60	7.65	-31.22
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304392	0	42	-1.0	-41.53	337.20	6.89	-34.64
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304392	1	42	-1.0	-41.54	337.25	6.91	-34.63
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304393	0	49	-1.0	-40.80	378.01	9.64	-31.16
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304393	1	49	-1.0	-40.75	378.05	9.63	-31.12
CN(CCN1C=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304394	0	42	-1.0	-44.62	361.44	6.00	-38.62
CN(CCN1C=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304394	1	42	-1.0	-44.68	361.38	5.99	-38.69
CN(CCN1C=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304395	0	39	-1.0	-46.61	335.80	5.27	-41.34
CN(CCN1C=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304395	1	39	-1.0	-46.63	335.75	5.25	-41.38
CN(CCN1C=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304396	0	46	-1.0	-48.73	379.37	8.03	-40.70
CN(CCN1C=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304396	1	46	-1.0	-48.77	379.34	8.04	-40.73
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020304397	0	56	0.0	-70.39	431.14	7.73	-62.66
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020304397	1	56	0.0	-70.36	431.08	7.72	-62.64
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020304398	0	53	0.0	-67.31	405.20	7.02	-60.29
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020304398	1	53	0.0	-67.34	405.25	7.03	-60.31
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304399	0	46	-1.0	-38.96	372.78	5.86	-33.10
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304399	1	46	-1.0	-38.96	372.84	5.88	-33.08
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304400	0	43	-1.0	-40.86	354.99	5.21	-35.65
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304400	1	43	-1.0	-40.83	355.05	5.23	-35.60
COCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304401	0	50	-1.0	-40.37	404.80	7.97	-32.40
COCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304401	1	50	-1.0	-40.37	404.85	7.96	-32.41
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020304402	0	52	-1.0	-39.08	389.41	9.34	-29.74
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020304402	1	52	-1.0	-39.04	389.47	9.36	-29.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020304403	0	49	-1.0	-40.40	372.25	8.49	-31.91
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020304403	1	49	-1.0	-40.42	372.32	8.51	-31.91
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020304404	0	49	0.0	-63.63	379.13	8.08	-55.55
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020304404	1	48	-1.0	-38.53	381.69	5.79	-32.74
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020304404	1	48	-1.0	-38.52	381.74	5.80	-32.72
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020304405	0	46	0.0	-60.66	362.15	7.37	-53.29
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020304405	1	46	0.0	-60.67	362.21	7.39	-53.28
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020304405	1	45	-1.0	-40.73	363.91	5.13	-35.60
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020304405	1	45	-1.0	-40.78	363.97	5.16	-35.62
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020304406	0	53	0.0	-68.77	415.83	10.27	-58.50
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020304406	1	52	-1.0	-40.61	404.71	7.98	-32.63
CN1C=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=N1	REAL300020304407	0	48	-1.0	-42.99	388.52	4.95	-38.04
CN1C=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=N1	REAL300020304407	1	48	-1.0	-42.94	388.47	4.94	-38.00
CN1C=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=N1	REAL300020304408	0	45	-1.0	-45.60	372.09	4.33	-41.27
CN1C=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=N1	REAL300020304408	1	45	-1.0	-45.59	372.03	4.31	-41.28
CC1CCC([NH+]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)CC1	REAL300020304409	0	58	0.0	-64.72	430.95	9.38	-55.34
CC1CCC([NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)CC1	REAL300020304409	1	58	0.0	-64.77	431.03	9.40	-55.37
CC1CCC([NH+]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)CC1	REAL300020304410	0	55	0.0	-62.72	413.14	8.72	-54.00
CC1CCC([NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)CC1	REAL300020304410	1	55	0.0	-62.74	413.20	8.75	-53.99
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020304411	0	45	-1.0	-41.77	378.52	6.67	-35.10
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020304411	1	45	-1.0	-41.75	378.59	6.69	-35.06
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)C(F)F)CC1	REAL300020304412	0	44	-1.0	-47.28	379.70	5.06	-42.22
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)C(F)F)CC1	REAL300020304412	1	44	-1.0	-47.29	379.76	5.08	-42.21
CCOCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304413	0	49	-1.0	-38.84	394.64	6.83	-32.01
CCOCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304413	1	49	-1.0	-38.87	394.69	6.84	-32.03
CCOCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304414	0	46	-1.0	-40.79	376.85	6.17	-34.62
CCOCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304414	1	46	-1.0	-40.77	376.90	6.20	-34.57
CN(CCNS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304415	0	43	-1.0	-48.25	370.17	1.24	-47.01
CN(CCNS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304415	1	43	-1.0	-48.23	370.23	1.26	-46.97
CN(CCNS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304416	0	40	-1.0	-48.96	342.30	0.62	-48.34
CN(CCNS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304416	1	40	-1.0	-48.93	342.35	0.63	-48.30
CC1(C2=CC=CC=C2)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304417	0	52	-1.0	-41.21	408.33	10.39	-30.82
CC1(C2=CC=CC=C2)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304417	1	52	-1.0	-41.20	408.39	10.41	-30.79
CC1(C2=CC=CC=C2)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304418	0	49	-1.0	-41.31	384.06	9.77	-31.54
CC1(C2=CC=CC=C2)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304418	1	49	-1.0	-41.31	384.13	9.79	-31.52
CCN1C=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=N1	REAL300020304419	0	45	-1.0	-41.64	376.61	6.68	-34.96
CCN1C=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=N1	REAL300020304419	1	45	-1.0	-41.66	376.55	6.67	-34.99
CCN1C=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=N1	REAL300020304420	0	42	-1.0	-43.34	354.87	5.90	-37.44
CCN1C=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=N1	REAL300020304420	1	42	-1.0	-43.31	354.81	5.88	-37.43
CCN1C=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C=N1	REAL300020304421	0	49	-1.0	-43.52	403.94	8.63	-34.89
CCN1C=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C=N1	REAL300020304421	1	49	-1.0	-43.54	403.91	8.62	-34.92
CC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304422	0	45	-1.0	-39.08	354.82	7.75	-31.33
CC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304422	1	45	-1.0	-39.10	354.88	7.76	-31.34
CC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304423	0	42	-1.0	-41.26	333.03	7.15	-34.11
CC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304423	1	42	-1.0	-41.26	333.09	7.16	-34.10
CC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304424	0	49	-1.0	-41.35	371.69	9.15	-32.20
CC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304424	1	49	-1.0	-41.32	371.72	9.14	-32.18
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020304425	0	49	-1.0	-40.66	403.48	9.84	-30.82
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020304425	1	49	-1.0	-40.69	403.53	9.85	-30.84
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020304426	0	46	-1.0	-42.67	381.85	9.22	-33.45
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020304426	1	46	-1.0	-42.67	381.90	9.25	-33.42
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1C1CC1	REAL300020304427	0	44	-1.0	-46.71	359.92	5.77	-40.94
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1C1CC1	REAL300020304427	1	44	-1.0	-46.72	359.98	5.79	-40.93
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1C1CC1	REAL300020304428	0	41	-1.0	-50.31	336.83	4.51	-45.80
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1C1CC1	REAL300020304428	1	41	-1.0	-50.36	336.89	4.53	-45.83
O=C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCN1C1CC1	REAL300020304429	0	48	-1.0	-48.98	386.29	7.31	-41.67
O=C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCN1C1CC1	REAL300020304429	1	48	-1.0	-48.95	386.32	7.30	-41.65
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1C1=CC=CN=C1	REAL300020304430	0	46	-1.0	-44.26	388.32	6.11	-38.15
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1C1=CC=CN=C1	REAL300020304430	1	46	-1.0	-44.30	388.26	6.09	-38.21
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1C1=CC=CN=C1	REAL300020304431	0	43	-1.0	-44.51	372.15	5.20	-39.31
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1C1=CC=CN=C1	REAL300020304431	1	43	-1.0	-44.53	372.10	5.18	-39.35
COC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304432	0	45	-1.0	-44.87	371.10	7.00	-37.87
COC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304432	1	45	-1.0	-44.87	371.15	7.01	-37.86
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304433	0	42	-1.0	-48.01	341.11	5.64	-42.37
COC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304433	1	42	-1.0	-47.97	341.17	5.66	-42.31
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020304434	0	50	-1.0	-40.34	411.00	8.53	-31.81
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020304434	1	50	-1.0	-40.33	411.06	8.55	-31.78
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020304435	0	47	-1.0	-41.96	393.88	7.66	-34.30
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020304435	1	47	-1.0	-41.99	393.94	7.69	-34.30
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020304436	0	50	-1.0	-42.70	415.48	8.47	-34.23
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020304436	1	50	-1.0	-42.70	415.54	8.49	-34.21
CC(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020304437	0	46	-1.0	-41.72	368.62	5.94	-35.78
CC(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020304437	1	46	-1.0	-41.70	368.68	5.95	-35.75
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020304438	0	43	-1.0	-42.56	347.13	5.14	-37.42
CC(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020304438	1	43	-1.0	-42.52	347.18	5.17	-37.35
CC(C)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1=O	REAL300020304439	0	50	-1.0	-43.73	392.23	7.86	-35.87
CC(C)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1=O	REAL300020304439	1	50	-1.0	-43.72	392.27	7.85	-35.87
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C)(C)O1	REAL300020304440	0	49	-1.0	-38.48	387.95	6.51	-31.97
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C)(C)O1	REAL300020304440	1	49	-1.0	-38.45	388.00	6.52	-31.93
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C)(C)O1	REAL300020304441	0	46	-1.0	-40.12	365.86	6.02	-34.10
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C)(C)O1	REAL300020304441	1	46	-1.0	-40.15	365.92	6.04	-34.11
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020304442	0	50	-1.0	-39.54	395.09	7.19	-32.35
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020304442	1	50	-1.0	-39.56	395.15	7.20	-32.36
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020304443	0	47	-1.0	-41.66	374.33	6.48	-35.18
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020304443	1	47	-1.0	-41.66	374.39	6.52	-35.14
COC(=O)CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304444	0	46	-1.0	-43.25	384.71	6.02	-37.23
COC(=O)CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304444	1	46	-1.0	-43.26	384.77	6.04	-37.22
COC(=O)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304445	0	43	-1.0	-43.55	367.64	5.16	-38.39
COC(=O)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304445	1	43	-1.0	-43.54	367.69	5.17	-38.37
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304446	0	49	-1.0	-39.11	403.04	9.62	-29.49
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304446	1	49	-1.0	-39.10	403.10	9.64	-29.46
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304447	0	46	-1.0	-40.32	381.28	9.01	-31.31
CC(=CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304447	1	46	-1.0	-40.34	381.33	9.03	-31.31
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304448	0	43	-1.0	-46.23	362.85	7.29	-38.94
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304448	1	43	-1.0	-46.21	362.91	7.30	-38.91
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304449	0	40	-1.0	-48.97	341.34	6.50	-42.47
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304449	1	40	-1.0	-48.98	341.40	6.53	-42.45
N#CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304450	0	47	-1.0	-47.63	389.78	9.25	-38.38
N#CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304450	1	47	-1.0	-47.64	389.81	9.25	-38.39
CCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304451	0	48	-1.0	-38.65	373.52	8.15	-30.50
CCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304451	1	48	-1.0	-38.65	373.58	8.17	-30.48
CCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304452	0	45	-1.0	-40.93	347.23	7.54	-33.39
CCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304452	1	45	-1.0	-40.93	347.29	7.57	-33.36
CCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304453	0	52	-1.0	-40.57	397.05	10.31	-30.26
CCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304453	1	52	-1.0	-40.54	397.08	10.30	-30.24
CN(CCCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304454	0	48	-1.0	-39.76	398.14	9.46	-30.30
CN(CCCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304454	1	48	-1.0	-39.77	398.20	9.47	-30.30
CN(CCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304455	0	45	-1.0	-41.02	376.27	8.85	-32.17
CN(CCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304455	1	45	-1.0	-41.03	376.32	8.88	-32.15
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304456	0	45	-1.0	-41.05	377.31	6.93	-34.12
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304456	1	45	-1.0	-41.09	377.37	6.94	-34.15
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304457	0	42	-1.0	-42.27	355.81	6.14	-36.13
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304457	1	42	-1.0	-42.25	355.87	6.17	-36.08
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020304458	0	49	-1.0	-38.55	382.91	9.13	-29.42
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020304458	1	49	-1.0	-38.53	382.96	9.14	-29.39
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020304459	0	46	-1.0	-42.68	355.78	8.25	-34.43
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020304459	1	46	-1.0	-42.72	355.84	8.27	-34.45
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020304460	0	53	-1.0	-41.30	395.99	10.40	-30.90
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020304460	1	53	-1.0	-41.30	396.02	10.39	-30.91
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020304461	0	40	-1.0	-43.25	338.86	4.28	-38.97
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020304461	1	40	-1.0	-43.20	338.91	4.29	-38.91
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020304462	0	37	-1.0	-42.33	313.31	3.72	-38.61
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020304462	1	37	-1.0	-42.34	313.25	3.71	-38.63
CN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1=O	REAL300020304463	0	44	-1.0	-44.30	356.52	6.32	-37.98
CN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1=O	REAL300020304463	1	44	-1.0	-44.27	356.56	6.31	-37.96
CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304464	0	46	-1.0	-40.21	373.34	6.12	-34.09
CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304464	1	46	-1.0	-40.24	373.40	6.14	-34.10
CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304465	0	43	-1.0	-41.45	355.58	5.47	-35.98
CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304465	1	43	-1.0	-41.48	355.64	5.49	-35.99
CCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304466	0	50	-1.0	-42.82	394.43	8.31	-34.51
CCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304466	1	50	-1.0	-42.78	394.46	8.30	-34.48
COC1=CC=C(Cl)C=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304467	0	46	-1.0	-40.23	397.97	7.99	-32.24
COC1=CC=C(Cl)C=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304467	1	46	-1.0	-40.26	398.03	8.00	-32.26
COC1=CC=C(Cl)C=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304468	0	43	-1.0	-42.05	376.47	7.20	-34.85
COC1=CC=C(Cl)C=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304468	1	43	-1.0	-42.05	376.52	7.23	-34.82
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020304469	0	49	0.0	-65.90	390.89	8.33	-57.57
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020304469	1	49	0.0	-65.91	390.95	8.34	-57.57
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020304470	0	46	0.0	-63.98	369.38	7.54	-56.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020304470	1	46	0.0	-64.00	369.44	7.57	-56.43
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020304471	0	53	0.0	-71.97	414.52	10.49	-61.48
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020304471	1	53	0.0	-71.93	414.57	10.48	-61.45
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020304472	0	50	-1.0	-42.61	411.72	9.06	-33.55
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC3=CC=CC=C3N2)C1	REAL300020304472	1	50	-1.0	-42.61	411.78	9.09	-33.52
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020304473	0	46	-1.0	-42.80	392.91	6.59	-36.21
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020304473	1	46	-1.0	-42.79	392.97	6.60	-36.19
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020304474	0	43	-1.0	-45.44	375.20	5.92	-39.52
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020304474	1	43	-1.0	-45.48	375.25	5.95	-39.53
CN(CC12CC3CC(CC(C3)C1)C2)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304475	0	56	-1.0	-38.93	406.81	10.23	-28.70
CN(CC12CC3CC(CC(C3)C1)C2)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304475	1	56	-1.0	-38.92	406.87	10.25	-28.67
CN(CC12CC3CC(CC(C3)C1)C2)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304476	0	53	-1.0	-40.84	382.73	8.66	-32.18
CN(CC12CC3CC(CC(C3)C1)C2)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304476	1	53	-1.0	-40.80	382.80	8.68	-32.12
CC1=NOC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304477	0	44	-1.0	-40.11	364.65	6.62	-33.49
CC1=NOC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304477	1	44	-1.0	-40.08	364.70	6.63	-33.45
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304478	0	41	-1.0	-40.15	348.56	5.73	-34.42
CC1=NOC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304478	1	41	-1.0	-40.16	348.62	5.75	-34.41
CC1=NOC(C)=C1CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304479	0	48	-1.0	-42.65	387.32	8.55	-34.10
CC1=NOC(C)=C1CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304479	1	48	-1.0	-42.62	387.35	8.53	-34.09
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304480	0	44	-1.0	-46.83	378.76	8.80	-38.03
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304480	1	44	-1.0	-46.84	378.82	8.81	-38.03
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304481	0	41	-1.0	-56.07	352.31	8.08	-47.99
CN(CC1=CC=CC=C1[N+](=O)[O-])C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304481	1	41	-1.0	-56.07	352.36	8.10	-47.97
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020304482	0	48	-1.0	-42.00	406.36	8.71	-33.29
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020304482	1	48	-1.0	-42.05	406.41	8.72	-33.33
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020304483	0	45	-1.0	-42.38	391.12	7.84	-34.54
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020304483	1	45	-1.0	-42.42	391.18	7.85	-34.57
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCCO2)CC1	REAL300020304484	0	54	-1.0	-42.81	426.33	7.06	-35.75
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCCO2)CC1	REAL300020304484	1	54	-1.0	-42.81	426.38	7.08	-35.73
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020304485	0	50	-1.0	-41.11	404.40	8.69	-32.42
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020304485	1	50	-1.0	-41.09	404.46	8.71	-32.38
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020304486	0	47	-1.0	-41.67	377.36	8.01	-33.66
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020304486	1	47	-1.0	-41.67	377.42	8.03	-33.64
CCS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304487	0	48	-1.0	-47.98	399.15	4.56	-43.42
CCS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304487	1	48	-1.0	-47.97	399.21	4.58	-43.39
CCS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304488	0	45	-1.0	-48.42	381.94	3.71	-44.71
CCS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304488	1	45	-1.0	-48.44	382.00	3.73	-44.71
CN(CCC1=NC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304489	0	41	-1.0	-41.77	365.11	5.90	-35.87
CN(CCC1=NC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304489	1	41	-1.0	-41.76	365.17	5.92	-35.84
CN(CCC1=NC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304490	0	38	-1.0	-43.43	343.62	5.12	-38.31
CN(CCC1=NC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304490	1	38	-1.0	-43.39	343.67	5.14	-38.25
CN(CCC1=NC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304491	0	45	-1.0	-44.15	383.13	7.95	-36.20
CN(CCC1=NC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304491	1	45	-1.0	-44.09	383.17	7.94	-36.15
CN(CCC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304492	0	45	-1.0	-41.13	384.51	9.24	-31.89
CN(CCC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304492	1	45	-1.0	-41.12	384.57	9.26	-31.86
CN(CCC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304493	0	42	-1.0	-41.01	361.90	8.77	-32.24
CN(CCC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304493	1	42	-1.0	-41.02	361.95	8.79	-32.23
CCOC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304494	0	51	-1.0	-40.95	408.92	8.23	-32.72
CCOC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304494	1	51	-1.0	-40.95	408.97	8.25	-32.70
CCOC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304495	0	48	-1.0	-41.14	390.39	7.54	-33.60
CCOC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304495	1	48	-1.0	-41.17	390.45	7.57	-33.60
CC(C)OC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020304496	0	52	-1.0	-40.44	417.70	8.86	-31.58
CC(C)OC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020304496	1	52	-1.0	-40.43	417.76	8.87	-31.56
CC(C)OC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020304497	0	49	-1.0	-41.69	405.95	8.02	-33.67
CC(C)OC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020304497	1	49	-1.0	-41.68	406.02	8.05	-33.63
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020304498	0	43	-1.0	-40.47	367.75	8.45	-32.02
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020304498	1	43	-1.0	-40.44	367.81	8.46	-31.98
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020304499	0	40	-1.0	-43.43	342.02	7.91	-35.52
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020304499	1	40	-1.0	-43.35	341.96	7.89	-35.46
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020304500	0	44	-1.0	-40.84	383.40	7.06	-33.78
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300020304500	1	44	-1.0	-40.80	383.46	7.10	-33.70
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020304501	0	47	-1.0	-39.57	368.00	5.95	-33.62
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020304501	1	47	-1.0	-39.54	368.06	5.96	-33.58
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020304502	0	44	-1.0	-41.80	349.74	5.27	-36.53
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020304502	1	44	-1.0	-41.82	349.80	5.30	-36.52
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020304503	0	51	-1.0	-42.73	384.25	7.28	-35.45
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020304503	1	51	-1.0	-42.69	384.28	7.27	-35.42
CN(CCN1CCOC(C)(C)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304504	0	54	-1.0	-39.64	423.23	4.98	-34.66
CN(CCN1CCOC(C)(C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304504	1	54	-1.0	-39.61	423.29	5.00	-34.61
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304504	1	55	0.0	-65.72	421.08	6.98	-58.74
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304504	1	55	0.0	-64.86	417.55	7.20	-57.66
CN(CCN1CCOC(C)(C)C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304505	0	51	-1.0	-41.02	401.76	4.20	-36.82
CN(CCN1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304505	1	51	-1.0	-41.01	401.82	4.22	-36.79
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304505	1	52	0.0	-60.73	399.27	6.36	-54.37
CN(CC[N@H+]1CCOC(C)(C)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304505	1	52	0.0	-62.32	396.02	6.42	-55.90
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1N1CCOCC1	REAL300020304506	0	52	-1.0	-40.78	396.68	4.24	-36.54
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1N1CCOCC1	REAL300020304506	1	52	-1.0	-40.80	396.74	4.25	-36.55
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1[NH+]1CCOCC1	REAL300020304506	1	53	0.0	-64.03	406.69	6.65	-57.38
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1N1CCOCC1	REAL300020304507	0	49	-1.0	-43.04	371.12	4.32	-38.72
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1N1CCOCC1	REAL300020304507	1	49	-1.0	-43.01	371.18	4.35	-38.66
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1[NH+]1CCOCC1	REAL300020304507	1	50	0.0	-65.36	380.07	5.88	-59.48
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)CC1	REAL300020304508	0	57	0.0	-63.43	417.07	6.45	-56.98
CC(C)[NH+]1CCN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)CC1	REAL300020304508	1	57	0.0	-63.43	417.13	6.47	-56.96
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCS1	REAL300020304509	0	46	-1.0	-37.97	376.83	7.98	-29.99
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCS1	REAL300020304509	1	46	-1.0	-38.00	376.89	8.00	-30.00
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCS1	REAL300020304510	0	43	-1.0	-39.40	355.83	7.00	-32.40
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCS1	REAL300020304510	1	43	-1.0	-39.44	355.90	7.03	-32.41
CN1C=C(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)C=N1	REAL300020304511	0	49	-1.0	-45.46	392.48	7.48	-37.98
CN1C=C(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)C=N1	REAL300020304511	1	49	-1.0	-45.48	392.43	7.46	-38.02
CN1C=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C=N1	REAL300020304512	0	46	-1.0	-47.75	379.38	7.04	-40.71
CN1C=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C=N1	REAL300020304512	1	46	-1.0	-47.71	379.32	7.01	-40.70
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCC1C1=CC=CC=C1	REAL300020304513	0	55	-1.0	-38.82	426.66	11.00	-27.82
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCC1C1=CC=CC=C1	REAL300020304513	1	55	-1.0	-38.86	426.72	11.01	-27.85
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC1C1=CC=CC=C1	REAL300020304514	0	52	-1.0	-42.00	391.35	9.75	-32.25
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC1C1=CC=CC=C1	REAL300020304514	1	52	-1.0	-42.01	391.41	9.77	-32.24
CC(N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1)C(F)(F)F	REAL300020304515	0	47	-1.0	-40.94	386.75	5.41	-35.53
CC(N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1)C(F)(F)F	REAL300020304515	1	47	-1.0	-40.92	386.81	5.43	-35.49
CC(N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1)C(F)(F)F	REAL300020304516	0	44	-1.0	-42.19	367.24	4.90	-37.29
CC(N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1)C(F)(F)F	REAL300020304516	1	44	-1.0	-42.20	367.30	4.93	-37.27
NC(=O)COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304517	0	47	-1.0	-46.99	393.84	3.46	-43.53
NC(=O)COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304517	1	47	-1.0	-47.05	393.90	3.48	-43.57
NC(=O)COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304518	0	44	-1.0	-48.37	372.34	2.68	-45.69
NC(=O)COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304518	1	44	-1.0	-48.37	372.40	2.70	-45.67
COC(=O)C1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304519	0	42	-1.0	-43.43	353.79	6.10	-37.33
COC(=O)C1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304519	1	42	-1.0	-43.46	353.85	6.12	-37.34
COC(=O)C1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304520	0	39	-1.0	-42.88	326.96	5.42	-37.46
COC(=O)C1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304520	1	39	-1.0	-42.89	327.01	5.44	-37.45
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020304521	0	50	-1.0	-39.18	381.48	7.45	-31.73
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020304521	1	50	-1.0	-39.14	381.54	7.46	-31.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020304522	0	47	-1.0	-41.47	365.14	6.81	-34.66
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020304522	1	47	-1.0	-41.51	365.20	6.84	-34.67
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020304523	0	47	-1.0	-42.80	393.21	9.56	-33.24
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020304523	1	47	-1.0	-42.81	393.27	9.59	-33.22
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020304524	0	49	-1.0	-44.38	405.90	9.78	-34.60
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020304524	1	49	-1.0	-44.39	405.96	9.81	-34.58
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304525	0	40	-1.0	-39.54	325.93	4.53	-35.01
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304525	1	40	-1.0	-39.54	325.98	4.55	-34.99
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020304526	0	44	-1.0	-41.40	360.78	6.81	-34.59
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020304526	1	44	-1.0	-41.38	360.81	6.79	-34.59
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304527	0	53	-1.0	-42.38	425.49	6.98	-35.40
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304527	1	53	-1.0	-42.36	425.55	7.00	-35.36
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304528	0	50	-1.0	-44.30	404.00	6.20	-38.10
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304528	1	50	-1.0	-44.33	404.07	6.23	-38.10
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020304529	0	49	-1.0	-44.61	401.95	7.82	-36.79
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300020304529	1	49	-1.0	-44.57	402.01	7.84	-36.73
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020304530	0	49	-1.0	-49.49	406.14	7.75	-41.74
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300020304530	1	49	-1.0	-49.50	406.20	7.78	-41.72
CC1=NC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)S1	REAL300020304531	0	41	-1.0	-39.54	361.64	5.73	-33.81
CC1=NC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)S1	REAL300020304531	1	41	-1.0	-39.54	361.69	5.75	-33.79
CC1=NC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)S1	REAL300020304532	0	38	-1.0	-40.86	343.55	5.12	-35.74
CC1=NC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)S1	REAL300020304532	1	38	-1.0	-40.87	343.61	5.14	-35.73
CC1=NC=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)S1	REAL300020304533	0	45	-1.0	-41.93	386.19	7.91	-34.02
CC1=NC=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)S1	REAL300020304533	1	45	-1.0	-41.97	386.21	7.92	-34.05
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304534	0	43	-1.0	-40.98	353.99	8.69	-32.29
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304534	1	43	-1.0	-40.93	354.00	8.67	-32.26
CC1=CC=CC(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020304535	0	49	-1.0	-42.11	397.35	8.26	-33.85
CC1=CC=CC(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020304535	1	49	-1.0	-42.12	397.41	8.28	-33.84
CC1=CC=CC(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020304536	0	46	-1.0	-41.71	374.81	7.78	-33.93
CC1=CC=CC(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020304536	1	46	-1.0	-41.97	374.06	7.79	-34.18
CCCCN(C)C(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304537	0	55	-1.0	-44.11	436.55	7.88	-36.23
CCCCN(C)C(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304537	1	55	-1.0	-44.09	436.61	7.91	-36.18
CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304538	0	42	-1.0	-40.31	365.70	8.00	-32.31
CN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304538	1	42	-1.0	-40.33	365.76	8.01	-32.32
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304539	0	39	-1.0	-46.41	337.19	7.35	-39.06
CN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304539	1	39	-1.0	-46.35	337.14	7.32	-39.03
CN(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304540	0	46	-1.0	-41.72	380.62	9.94	-31.78
CN(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304540	1	46	-1.0	-41.64	380.67	9.93	-31.71
COC1=CC=C(CCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020304541	0	52	-1.0	-41.14	431.39	8.87	-32.27
COC1=CC=C(CCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020304541	1	52	-1.0	-41.14	431.45	8.88	-32.26
COC1=CC=C(CCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020304542	0	49	-1.0	-42.14	405.78	8.15	-33.99
COC1=CC=C(CCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020304542	1	49	-1.0	-42.18	405.83	8.18	-34.00
CN(CCCOC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304543	0	46	-1.0	-42.11	405.53	8.11	-34.00
CN(CCCOC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304543	1	46	-1.0	-42.14	405.59	8.13	-34.01
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304544	0	52	-1.0	-41.18	417.82	9.06	-32.12
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304544	1	52	-1.0	-41.22	417.88	9.08	-32.14
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304545	0	49	-1.0	-41.12	395.21	8.59	-32.53
CC1=CC=CC=C1OCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304545	1	49	-1.0	-41.13	395.27	8.61	-32.52
CN(CCCOC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304546	0	46	-1.0	-40.36	391.87	8.36	-32.00
CN(CCCOC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304546	1	46	-1.0	-40.40	391.92	8.37	-32.03
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304547	0	57	0.0	-65.80	428.81	9.30	-56.50
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304547	1	57	0.0	-66.87	426.73	9.32	-57.55
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304547	1	57	0.0	-65.81	428.87	9.31	-56.50
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304547	1	57	0.0	-66.87	426.79	9.34	-57.53
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304548	0	54	0.0	-67.22	406.48	8.91	-58.31
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304548	1	54	0.0	-64.43	406.72	8.74	-55.69
CC(C)[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304548	1	54	0.0	-67.21	406.53	8.92	-58.29
CC(C)[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304548	1	54	0.0	-64.49	406.77	8.74	-55.75
O=C(C1=CSC=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304549	0	44	-1.0	-47.57	381.41	6.02	-41.55
O=C(C1=CSC=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304549	1	44	-1.0	-47.64	381.45	6.04	-41.60
CC(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304550	0	44	-1.0	-39.54	352.20	7.14	-32.40
CC(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304550	1	44	-1.0	-39.52	352.26	7.16	-32.36
CC(C)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304551	0	48	-1.0	-40.02	387.84	9.04	-30.98
CC(C)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304551	1	48	-1.0	-40.03	387.89	9.03	-31.00
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304552	0	42	-1.0	-43.26	342.24	5.94	-37.32
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304552	1	42	-1.0	-43.27	342.30	5.95	-37.32
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304553	0	39	-1.0	-43.02	329.13	5.49	-37.53
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304553	1	39	-1.0	-43.01	329.19	5.52	-37.49
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304554	0	46	-1.0	-44.67	379.11	8.24	-36.43
COC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304554	1	46	-1.0	-44.70	379.14	8.23	-36.47
COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304555	0	44	-1.0	-43.09	366.96	4.87	-38.22
COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304555	1	44	-1.0	-43.11	367.02	4.88	-38.23
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304556	0	41	-1.0	-45.00	349.19	4.20	-40.80
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304556	1	41	-1.0	-45.02	349.24	4.23	-40.79
CN(CC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304557	0	44	-1.0	-39.20	344.35	7.22	-31.98
CN(CC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304557	1	44	-1.0	-39.23	344.41	7.23	-32.00
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304558	0	48	-1.0	-41.80	374.70	8.48	-33.32
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304558	1	48	-1.0	-41.74	374.61	8.49	-33.25
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304559	0	57	0.0	-66.63	432.44	9.07	-57.56
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304559	1	57	0.0	-66.66	432.50	9.08	-57.58
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304560	0	54	0.0	-63.92	410.25	8.49	-55.43
CC(C)(C)CC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304560	1	54	0.0	-64.00	410.31	8.51	-55.49
CN1N=CC=C1C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304561	0	49	-1.0	-42.91	401.59	7.50	-35.41
CN1N=CC=C1C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304561	1	49	-1.0	-42.92	401.64	7.52	-35.40
CN1N=CC=C1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304562	0	46	-1.0	-45.43	380.07	6.73	-38.70
CN1N=CC=C1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304562	1	46	-1.0	-45.45	380.13	6.74	-38.71
COCCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304563	0	50	-1.0	-42.43	409.89	5.70	-36.73
COCCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304563	1	50	-1.0	-42.48	409.95	5.72	-36.76
COCCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304564	0	47	-1.0	-45.17	385.48	4.83	-40.34
COCCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304564	1	47	-1.0	-45.14	385.54	4.86	-40.28
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304565	0	43	-1.0	-40.98	353.99	8.69	-32.29
CN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304565	1	43	-1.0	-40.93	354.00	8.67	-32.26
CCSC(C)C1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020304566	0	47	-1.0	-41.56	413.72	5.43	-36.13
CCSC(C)C1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020304566	1	47	-1.0	-41.47	413.71	5.48	-35.99
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1C1=CC=CC=C1	REAL300020304567	0	52	-1.0	-40.14	407.83	9.76	-30.38
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C1=CC=CC=C1	REAL300020304567	1	52	-1.0	-40.11	407.89	9.78	-30.33
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C1=CC=CC=C1	REAL300020304568	0	49	-1.0	-42.10	378.36	8.94	-33.16
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C1=CC=CC=C1	REAL300020304568	1	49	-1.0	-42.10	378.42	8.97	-33.13
O=C(C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1)C(F)(F)F	REAL300020304569	0	44	-1.0	-40.57	380.13	7.21	-33.36
O=C(C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1)C(F)(F)F	REAL300020304569	1	44	-1.0	-40.54	380.19	7.22	-33.32
O=C(C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1)C(F)(F)F	REAL300020304570	0	41	-1.0	-42.90	359.76	6.48	-36.42
O=C(C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1)C(F)(F)F	REAL300020304570	1	41	-1.0	-42.94	359.82	6.51	-36.43
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020304571	0	56	0.0	-63.01	426.04	9.73	-53.28
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020304571	1	56	0.0	-64.50	413.50	9.23	-55.27
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020304571	1	56	0.0	-63.07	426.10	9.75	-53.32
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020304571	1	56	0.0	-64.51	413.56	9.24	-55.27
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020304572	0	53	0.0	-63.00	399.60	8.65	-54.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020304572	1	53	0.0	-62.36	398.88	8.79	-53.57
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020304572	1	53	0.0	-62.99	399.63	8.67	-54.32
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020304572	1	53	0.0	-62.32	398.94	8.81	-53.51
CN(CCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304573	0	42	-1.0	-38.85	352.08	7.32	-31.53
CN(CCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304573	1	42	-1.0	-38.85	352.14	7.34	-31.51
CN(CCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304574	0	46	-1.0	-40.24	380.24	9.32	-30.92
CN(CCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304574	1	46	-1.0	-40.19	380.30	9.31	-30.88
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304575	0	50	-1.0	-42.54	404.73	5.69	-36.85
CCOCCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304575	1	50	-1.0	-42.56	404.79	5.70	-36.86
CCOCCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304576	0	47	-1.0	-41.87	377.75	5.00	-36.87
CCOCCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304576	1	47	-1.0	-41.91	377.81	5.03	-36.88
COCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304577	0	42	-1.0	-40.00	346.81	4.93	-35.07
COCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304577	1	42	-1.0	-40.06	346.87	4.94	-35.12
COCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304578	0	46	-1.0	-40.88	382.45	6.82	-34.06
COCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304578	1	46	-1.0	-40.87	382.50	6.81	-34.06
CC(=O)N(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304579	0	49	-1.0	-46.35	391.73	6.53	-39.82
CC(=O)N(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304579	1	49	-1.0	-46.39	391.78	6.55	-39.84
CC(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304580	0	46	-1.0	-48.03	369.81	5.73	-42.30
CC(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304580	1	46	-1.0	-48.05	369.86	5.75	-42.30
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C)S1	REAL300020304581	0	43	-1.0	-38.13	364.27	7.37	-30.76
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C)S1	REAL300020304581	1	43	-1.0	-38.10	364.33	7.39	-30.71
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C)S1	REAL300020304582	0	40	-1.0	-39.56	342.79	6.59	-32.97
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C)S1	REAL300020304582	1	40	-1.0	-39.54	342.85	6.61	-32.93
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC(C)S1	REAL300020304583	0	47	-1.0	-39.84	391.05	9.35	-30.49
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC(C)S1	REAL300020304583	1	47	-1.0	-39.79	391.07	9.34	-30.45
CC1CC[NH+](CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)CC1	REAL300020304584	0	58	0.0	-59.37	438.15	10.09	-49.28
CC1CC[NH+](CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)CC1	REAL300020304584	1	58	0.0	-59.39	438.21	10.11	-49.28
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304585	0	58	0.0	-61.77	434.04	9.98	-51.79
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304585	1	58	0.0	-61.49	425.03	9.60	-51.89
CC1CCCC[N@@H+]1CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304585	1	58	0.0	-61.78	434.10	10.00	-51.78
CC1CCCC[N@H+]1CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304585	1	58	0.0	-61.50	425.09	9.63	-51.87
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304586	0	40	-1.0	-41.31	348.34	4.55	-36.76
CN(CC1=CN=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304586	1	40	-1.0	-41.35	348.39	4.57	-36.78
CN(CC1=CN=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304587	0	37	-1.0	-42.69	326.90	3.79	-38.90
CN(CC1=CN=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304587	1	37	-1.0	-42.69	326.84	3.77	-38.92
CN(CC1=CN=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304588	0	44	-1.0	-44.48	365.79	6.19	-38.29
CN(CC1=CN=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304588	1	44	-1.0	-44.43	365.81	6.18	-38.25
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020304589	0	49	0.0	-63.88	378.54	7.89	-55.99
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020304589	1	49	0.0	-62.91	378.52	7.88	-55.03
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020304589	1	49	0.0	-63.85	378.60	7.91	-55.94
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020304589	1	49	0.0	-62.87	378.58	7.90	-54.97
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020304589	1	48	-1.0	-39.40	374.20	5.64	-33.76
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020304590	0	46	0.0	-62.24	340.31	6.71	-55.53
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020304590	1	46	0.0	-59.61	357.17	7.09	-52.52
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020304590	1	46	0.0	-62.30	340.36	6.70	-55.60
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020304590	1	46	0.0	-59.65	357.22	7.11	-52.54
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020304590	1	45	-1.0	-39.65	337.54	4.47	-35.18
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2CCCCC2C1	REAL300020304590	1	45	-1.0	-39.69	337.60	4.48	-35.21
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020304591	0	53	0.0	-68.66	408.85	9.99	-58.67
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020304591	1	53	0.0	-67.55	411.12	9.82	-57.73
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020304591	1	53	0.0	-68.66	408.80	10.00	-58.66
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020304591	1	53	0.0	-67.58	411.14	9.82	-57.76
CN(CCCOC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304592	0	49	-1.0	-41.03	404.16	8.38	-32.65
CN(CCCOC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304592	1	49	-1.0	-41.02	404.22	8.39	-32.63
CN(CCCOC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304593	0	46	-1.0	-40.85	381.55	7.91	-32.94
CN(CCCOC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304593	1	46	-1.0	-40.85	381.60	7.92	-32.93
CC(C)CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304594	0	55	-1.0	-38.61	434.07	8.48	-30.13
CC(C)CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304594	1	55	-1.0	-38.65	434.13	8.49	-30.16
CC(C)CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304595	0	52	-1.0	-40.21	416.17	7.58	-32.63
CC(C)CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304595	1	52	-1.0	-40.23	416.23	7.61	-32.62
CN(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304596	0	45	-1.0	-39.56	396.90	8.90	-30.66
CN(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304596	1	45	-1.0	-39.58	396.96	8.91	-30.67
CN(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304597	0	42	-1.0	-40.25	375.07	8.15	-32.10
CN(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304597	1	42	-1.0	-40.27	375.12	8.18	-32.09
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304598	0	45	-1.0	-40.13	368.54	8.65	-31.48
CC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304598	1	45	-1.0	-40.09	368.58	8.64	-31.45
COC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020304599	0	50	-1.0	-43.01	406.88	8.41	-34.60
COC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020304599	1	50	-1.0	-42.99	406.93	8.43	-34.56
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020304600	0	45	-1.0	-43.17	373.26	8.14	-35.03
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020304600	1	45	-1.0	-43.21	373.21	8.12	-35.09
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020304601	0	42	-1.0	-43.22	351.31	7.54	-35.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020304601	1	42	-1.0	-43.25	351.26	7.52	-35.73
CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304602	0	42	-1.0	-40.30	348.78	7.75	-32.55
CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304602	1	42	-1.0	-40.31	348.82	7.74	-32.57
CN(CCC1=CC=CC2=CC=CC=C21)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304603	0	51	-1.0	-41.86	422.90	10.90	-30.96
CN(CCC1=CC=CC2=CC=CC=C21)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304603	1	51	-1.0	-41.88	422.96	10.91	-30.97
CN(CCC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304604	0	48	-1.0	-44.70	401.11	10.13	-34.57
CN(CCC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304604	1	48	-1.0	-44.72	401.17	10.17	-34.55
CN(CC1CCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304605	0	45	-1.0	-38.69	359.99	7.57	-31.12
CN(CC1CCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304605	1	45	-1.0	-38.73	360.05	7.58	-31.15
CN(CC1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304606	0	42	-1.0	-40.43	337.33	6.96	-33.47
CN(CC1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304606	1	42	-1.0	-40.45	337.39	6.99	-33.46
CN(CC1CCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304607	0	49	-1.0	-41.56	380.80	9.78	-31.78
CN(CC1CCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304607	1	49	-1.0	-41.53	380.82	9.77	-31.76
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304608	0	41	-1.0	-51.26	371.58	4.98	-46.28
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304608	1	41	-1.0	-51.28	371.64	5.00	-46.28
CC1=NC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=CS1	REAL300020304609	0	47	-1.0	-44.46	401.76	4.40	-40.06
CC1=NC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=CS1	REAL300020304609	1	47	-1.0	-44.46	401.82	4.43	-40.03
O=C(N1CCOCC1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304610	0	50	-1.0	-48.81	397.12	4.28	-44.53
O=C(N1CCOCC1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304610	1	50	-1.0	-48.81	397.18	4.30	-44.51
O=C(N1CCCCC1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304611	0	52	-1.0	-48.56	406.20	6.71	-41.85
O=C(N1CCCCC1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304611	1	52	-1.0	-48.63	406.26	6.73	-41.90
O=C(N1CCCC1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304612	0	52	-1.0	-46.24	407.83	6.32	-39.92
O=C(N1CCCC1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304612	1	52	-1.0	-46.28	407.89	6.33	-39.95
O=C(N1CCCC1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304613	0	49	-1.0	-46.69	389.59	5.78	-40.91
O=C(N1CCCC1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304613	1	49	-1.0	-46.69	389.65	5.80	-40.89
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304614	0	43	-1.0	-40.47	362.95	4.90	-35.57
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304614	1	43	-1.0	-40.47	363.01	4.91	-35.56
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304615	0	40	-1.0	-41.85	341.47	4.11	-37.74
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304615	1	40	-1.0	-41.85	341.52	4.14	-37.71
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304616	0	47	-1.0	-41.70	391.30	6.90	-34.80
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304616	1	47	-1.0	-41.70	391.34	6.90	-34.80
N#CC1=CC=NC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020304617	0	48	-1.0	-43.01	401.03	6.94	-36.07
N#CC1=CC=NC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020304617	1	48	-1.0	-43.01	400.97	6.93	-36.08
N#CC1=CC=NC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020304618	0	45	-1.0	-45.25	384.59	6.32	-38.93
N#CC1=CC=NC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020304618	1	45	-1.0	-45.23	384.53	6.30	-38.93
CN(CC1=CC=C(F)C=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304619	0	42	-1.0	-39.77	365.21	7.86	-31.91
CN(CC1=CC=C(F)C=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304619	1	42	-1.0	-39.75	365.27	7.88	-31.87
CN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304620	0	39	-1.0	-40.41	337.67	7.21	-33.20
CN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304620	1	39	-1.0	-40.43	337.72	7.23	-33.20
CN(CC1=CC=CC=C1C(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304621	0	45	-1.0	-42.59	382.10	9.86	-32.73
CN(CC1=CC=CC=C1C(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304621	1	45	-1.0	-42.64	382.16	9.88	-32.76
CN(CC1=CC=CC=C1C(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304622	0	42	-1.0	-48.62	361.41	9.19	-39.43
CN(CC1=CC=CC=C1C(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304622	1	42	-1.0	-48.65	361.47	9.20	-39.45
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304623	0	43	-1.0	-39.47	351.80	5.32	-34.15
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304623	1	43	-1.0	-39.46	351.86	5.33	-34.13
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304624	0	40	-1.0	-41.05	334.04	4.67	-36.38
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304624	1	40	-1.0	-41.06	334.10	4.69	-36.37
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020304625	0	47	-1.0	-41.07	367.86	6.92	-34.15
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020304625	1	47	-1.0	-41.06	367.89	6.91	-34.15
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020304626	0	47	-1.0	-40.94	389.90	7.57	-33.37
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020304626	1	47	-1.0	-40.91	389.96	7.58	-33.33
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020304627	0	44	-1.0	-42.67	371.25	7.15	-35.52
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020304627	1	44	-1.0	-42.70	371.31	7.17	-35.53
CN(CC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304628	0	48	-1.0	-38.45	381.67	8.56	-29.89
CN(CC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304628	1	48	-1.0	-38.45	381.72	8.57	-29.88
CN(CC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304629	0	45	-1.0	-40.29	356.26	7.85	-32.44
CN(CC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304629	1	45	-1.0	-40.28	356.32	7.88	-32.40
CN(CC1CCCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304630	0	52	-1.0	-41.38	398.55	10.62	-30.76
CN(CC1CCCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304630	1	52	-1.0	-41.36	398.58	10.62	-30.74
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020304631	0	55	0.0	-64.71	413.94	9.03	-55.68
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020304631	1	55	0.0	-64.67	414.00	9.04	-55.63
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020304632	0	52	0.0	-63.36	392.00	8.43	-54.93
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020304632	1	52	0.0	-63.34	392.05	8.44	-54.90
C#CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304633	0	38	-1.0	-40.35	334.70	7.54	-32.81
C#CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304633	1	38	-1.0	-40.32	334.74	7.53	-32.79
C=CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304634	0	40	-1.0	-40.27	340.55	7.57	-32.70
C=CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304634	1	40	-1.0	-40.20	340.59	7.56	-32.64
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020304635	0	50	-1.0	-40.00	405.04	7.70	-32.30
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020304635	1	50	-1.0	-40.02	405.09	7.71	-32.31
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020304636	0	47	-1.0	-41.85	386.45	7.22	-34.63
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020304636	1	47	-1.0	-41.87	386.51	7.25	-34.62
CC1(C)C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC21	REAL300020304637	0	43	-1.0	-39.53	340.29	7.07	-32.46
CC1(C)C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC21	REAL300020304637	1	43	-1.0	-39.61	340.35	7.08	-32.53
CC1(C)C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC21	REAL300020304638	0	40	-1.0	-41.50	316.10	6.53	-34.97
CC1(C)C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC21	REAL300020304638	1	40	-1.0	-41.52	316.16	6.56	-34.96
CC1(C)C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CC21	REAL300020304639	0	47	-1.0	-40.71	371.08	9.19	-31.52
CC1(C)C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CC21	REAL300020304639	1	47	-1.0	-40.71	371.12	9.18	-31.53
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020304640	0	52	-1.0	-40.54	408.10	4.59	-35.95
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020304640	1	52	-1.0	-40.56	408.15	4.60	-35.96
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020304640	1	53	0.0	-70.86	403.86	6.79	-64.07
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020304641	0	49	-1.0	-41.78	386.13	3.98	-37.80
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020304641	1	49	-1.0	-41.75	386.19	4.01	-37.74
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020304641	1	50	0.0	-69.38	381.17	6.33	-63.05
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCC1C1=CC=CC=C1	REAL300020304642	0	52	-1.0	-39.05	405.68	10.17	-28.88
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCC1C1=CC=CC=C1	REAL300020304642	1	52	-1.0	-39.06	405.74	10.18	-28.88
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC1C1=CC=CC=C1	REAL300020304643	0	49	-1.0	-40.83	387.83	9.51	-31.32
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC1C1=CC=CC=C1	REAL300020304643	1	49	-1.0	-40.85	387.88	9.53	-31.32
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020304644	0	54	-1.0	-40.78	418.04	10.48	-30.30
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020304644	1	54	-1.0	-40.84	418.10	10.49	-30.35
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020304645	0	51	-1.0	-41.18	395.48	10.01	-31.17
CC1=CC=C(C(C)(C)CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020304645	1	51	-1.0	-41.20	395.53	10.03	-31.17
CC(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304646	0	48	-1.0	-38.46	375.12	7.90	-30.56
CC(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304646	1	48	-1.0	-38.50	375.17	7.92	-30.58
CC(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304647	0	45	-1.0	-41.49	354.16	7.35	-34.14
CC(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304647	1	45	-1.0	-41.47	354.22	7.38	-34.09
CC(C)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304648	0	52	-1.0	-40.51	400.79	10.16	-30.35
CC(C)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304648	1	52	-1.0	-40.47	400.76	10.15	-30.32
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C(F)(F)F)O1	REAL300020304649	0	43	-1.0	-40.04	369.44	5.95	-34.09
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C(F)(F)F)O1	REAL300020304649	1	43	-1.0	-40.06	369.50	5.97	-34.09
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C(F)(F)F)O1	REAL300020304650	0	40	-1.0	-41.26	338.98	5.30	-35.96
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C(F)(F)F)O1	REAL300020304650	1	40	-1.0	-41.25	339.04	5.31	-35.94
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020304651	0	55	0.0	-63.83	407.62	8.93	-54.90
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020304651	1	55	0.0	-63.82	407.68	8.94	-54.88
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020304652	0	52	0.0	-60.47	385.53	8.39	-52.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020304652	1	52	0.0	-60.47	385.58	8.41	-52.06
CCOC(=O)CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304653	0	54	-1.0	-44.27	435.45	9.13	-35.14
CCOC(=O)CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304653	1	54	-1.0	-44.28	435.50	9.13	-35.15
CCOC(=O)CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304654	0	51	-1.0	-47.68	417.70	8.46	-39.22
CCOC(=O)CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304654	1	51	-1.0	-47.77	417.76	8.48	-39.29
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020304655	0	48	-1.0	-48.68	395.10	6.65	-42.03
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020304655	1	48	-1.0	-48.69	395.05	6.64	-42.05
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020304656	0	45	-1.0	-48.31	368.64	6.12	-42.19
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020304656	1	45	-1.0	-48.28	368.59	6.11	-42.17
OC1(C2=CC=C(F)C=C2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304657	0	47	-1.0	-42.11	387.32	5.78	-36.33
OC1(C2=CC=C(F)C=C2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304657	1	47	-1.0	-42.12	387.37	5.80	-36.32
OC1(C2=CC=C(F)C=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304658	0	44	-1.0	-42.72	370.25	5.12	-37.60
OC1(C2=CC=C(F)C=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304658	1	44	-1.0	-42.72	370.32	5.15	-37.57
CC(=O)N1CCC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304659	0	49	-1.0	-47.73	396.54	6.15	-41.58
CC(=O)N1CCC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304659	1	49	-1.0	-47.72	396.60	6.17	-41.55
CC(=O)N1CCC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304660	0	46	-1.0	-47.61	378.85	5.52	-42.09
CC(=O)N1CCC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304660	1	46	-1.0	-47.61	378.91	5.54	-42.07
COCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304661	0	47	-1.0	-42.66	377.10	4.57	-38.09
COCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304661	1	47	-1.0	-42.66	377.16	4.59	-38.07
COCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304662	0	44	-1.0	-43.09	363.99	4.13	-38.96
COCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304662	1	44	-1.0	-43.16	364.05	4.15	-39.01
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020304663	0	42	-1.0	-40.07	356.32	7.07	-33.00
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020304663	1	42	-1.0	-40.07	356.37	7.08	-32.99
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020304664	0	39	-1.0	-40.92	338.53	6.41	-34.51
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020304664	1	39	-1.0	-40.94	338.59	6.43	-34.51
O=C1CCCN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304665	0	47	-1.0	-51.06	372.22	6.26	-44.80
O=C1CCCN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304665	1	47	-1.0	-51.09	372.28	6.27	-44.82
O=C1CCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304666	0	44	-1.0	-46.89	350.98	5.81	-41.08
O=C1CCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304666	1	44	-1.0	-46.90	351.04	5.83	-41.07
N#CC1=CC=CC(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCO2)=C1	REAL300020304667	0	48	-1.0	-42.68	414.50	8.07	-34.61
N#CC1=CC=CC(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCO2)=C1	REAL300020304667	1	48	-1.0	-42.66	414.56	8.08	-34.58
N#CC1=CC=CC(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCO2)=C1	REAL300020304668	0	45	-1.0	-43.55	392.27	7.49	-36.06
N#CC1=CC=CC(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCO2)=C1	REAL300020304668	1	45	-1.0	-43.55	392.33	7.52	-36.03
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1CC(F)(F)F	REAL300020304669	0	47	-1.0	-40.79	367.44	4.89	-35.90
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1CC(F)(F)F	REAL300020304669	1	47	-1.0	-40.81	367.50	4.90	-35.91
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1CC(F)(F)F	REAL300020304670	0	44	-1.0	-42.77	358.00	4.88	-37.89
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1CC(F)(F)F	REAL300020304670	1	44	-1.0	-42.78	358.06	4.91	-37.87
CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304671	0	39	-1.0	-42.94	323.75	6.32	-36.62
CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304671	1	39	-1.0	-42.97	323.81	6.33	-36.64
CC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304672	0	43	-1.0	-44.24	347.84	8.08	-36.16
CC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304672	1	43	-1.0	-44.26	347.88	8.07	-36.19
COCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020304673	0	47	-1.0	-48.33	383.75	4.21	-44.12
COCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020304673	1	47	-1.0	-48.33	383.81	4.22	-44.11
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020304674	0	44	-1.0	-42.44	364.42	3.78	-38.66
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020304674	1	44	-1.0	-42.43	364.47	3.80	-38.63
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020304675	0	53	-1.0	-41.24	412.90	7.42	-33.82
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020304675	1	53	-1.0	-41.22	412.96	7.44	-33.78
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020304676	0	50	-1.0	-45.38	388.81	6.89	-38.49
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020304676	1	50	-1.0	-45.40	388.86	6.92	-38.48
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC12CCC2	REAL300020304677	0	49	-1.0	-38.52	372.20	8.23	-30.29
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC12CCC2	REAL300020304677	1	49	-1.0	-38.52	372.26	8.24	-30.28
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC12CCC2	REAL300020304678	0	46	-1.0	-41.13	358.83	7.73	-33.40
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC12CCC2	REAL300020304678	1	46	-1.0	-41.18	358.89	7.76	-33.42
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC12CCC2	REAL300020304679	0	53	-1.0	-41.18	393.37	9.78	-31.40
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC12CCC2	REAL300020304679	1	53	-1.0	-41.16	393.39	9.77	-31.39
COC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304680	0	46	-1.0	-39.42	368.02	5.76	-33.66
COC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304680	1	46	-1.0	-39.38	368.07	5.77	-33.61
COC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304681	0	43	-1.0	-41.48	346.51	4.97	-36.51
COC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304681	1	43	-1.0	-41.51	346.57	5.00	-36.51
COC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304682	0	50	-1.0	-43.94	380.58	7.22	-36.72
COC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304682	1	50	-1.0	-43.95	380.61	7.21	-36.74
COC(=O)C(C)(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304683	0	54	-1.0	-44.28	419.48	8.14	-36.14
COC(=O)C(C)(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304683	1	54	-1.0	-44.28	419.54	8.15	-36.13
COC(=O)C(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304684	0	51	-1.0	-47.00	401.70	7.48	-39.52
COC(=O)C(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304684	1	51	-1.0	-46.96	401.75	7.50	-39.46
C[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1S(C)(=O)=O	REAL300020304685	0	47	-1.0	-48.28	384.52	3.58	-44.70
C[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1S(C)(=O)=O	REAL300020304685	1	47	-1.0	-48.23	384.58	3.60	-44.63
C[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1S(C)(=O)=O	REAL300020304686	0	44	-1.0	-50.81	363.03	2.80	-48.01
C[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1S(C)(=O)=O	REAL300020304686	1	44	-1.0	-50.79	363.09	2.82	-47.97
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020304687	0	46	-1.0	-41.07	395.47	7.36	-33.71
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020304687	1	46	-1.0	-41.04	395.42	7.34	-33.70
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020304688	0	43	-1.0	-42.80	373.12	6.96	-35.84
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020304688	1	43	-1.0	-42.77	373.06	6.94	-35.83
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020304689	0	50	-1.0	-40.75	396.44	7.10	-33.65
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020304689	1	50	-1.0	-40.80	396.49	7.12	-33.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020304690	0	47	-1.0	-41.88	371.60	6.18	-35.70
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020304690	1	47	-1.0	-41.83	371.66	6.20	-35.63
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304691	0	54	-1.0	-41.54	416.25	8.37	-33.17
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304691	1	54	-1.0	-41.55	416.31	8.39	-33.16
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304692	0	51	-1.0	-44.31	394.74	7.59	-36.72
CCOC(=O)C1(C(C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304692	1	51	-1.0	-44.31	394.80	7.61	-36.70
O=C(CC1=CC=CC=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304693	0	50	-1.0	-48.75	416.94	8.12	-40.63
O=C(CC1=CC=CC=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304693	1	50	-1.0	-48.71	416.99	8.15	-40.56
CC(C)CN1CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN2C1=O	REAL300020304694	0	52	-1.0	-47.25	417.44	7.02	-40.23
CC(C)CN1CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN2C1=O	REAL300020304694	1	52	-1.0	-47.24	417.49	7.04	-40.20
CN1CC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCN2C1=O	REAL300020304695	0	46	-1.0	-45.84	376.60	5.58	-40.26
CN1CC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCN2C1=O	REAL300020304695	1	46	-1.0	-45.82	376.66	5.60	-40.22
CN1CC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN2C1=O	REAL300020304696	0	43	-1.0	-46.20	355.11	4.80	-41.40
CN1CC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN2C1=O	REAL300020304696	1	43	-1.0	-46.17	355.17	4.83	-41.34
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020304697	0	50	-1.0	-40.89	365.53	6.23	-34.66
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020304697	1	50	-1.0	-40.94	365.58	6.25	-34.69
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020304698	0	47	-1.0	-43.76	349.02	5.60	-38.16
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020304698	1	47	-1.0	-43.76	349.08	5.63	-38.13
CC(C)(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304699	0	49	-1.0	-39.20	384.25	6.31	-32.89
CC(C)(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304699	1	49	-1.0	-39.19	384.31	6.32	-32.87
CC(C)(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304700	0	46	-1.0	-40.78	366.43	5.65	-35.13
CC(C)(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304700	1	46	-1.0	-40.80	366.49	5.67	-35.13
CC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)C(C)=C1	REAL300020304701	0	52	-1.0	-41.25	410.03	10.01	-31.24
CC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)C(C)=C1	REAL300020304701	1	52	-1.0	-41.29	410.09	10.03	-31.26
CC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C(C)=C1	REAL300020304702	0	49	-1.0	-43.27	386.72	9.62	-33.65
CC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C(C)=C1	REAL300020304702	1	49	-1.0	-43.28	386.77	9.65	-33.63
CC(C)(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304703	0	51	-1.0	-38.98	390.89	8.45	-30.53
CC(C)(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304703	1	51	-1.0	-39.00	390.95	8.46	-30.54
CC(C)(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304704	0	48	-1.0	-40.74	369.16	7.65	-33.09
CC(C)(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304704	1	48	-1.0	-40.70	369.22	7.67	-33.03
CC(C)(C)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304705	0	55	-1.0	-40.82	413.45	10.39	-30.43
CC(C)(C)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304705	1	55	-1.0	-40.72	413.43	10.36	-30.36
CCOC(=O)C1(COC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304706	0	52	-1.0	-47.55	421.44	7.94	-39.61
CCOC(=O)C1(COC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304706	1	52	-1.0	-47.57	421.50	7.96	-39.61
CN(C(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1)C1=CC=CC=C1	REAL300020304707	0	50	-1.0	-47.13	407.48	8.32	-38.81
CN(C(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1)C1=CC=CC=C1	REAL300020304707	1	50	-1.0	-47.14	407.54	8.35	-38.79
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020304708	0	55	-1.0	-40.13	426.55	5.73	-34.40
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020304708	1	56	0.0	-69.37	416.36	7.24	-62.13
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020304708	1	55	-1.0	-40.14	426.61	5.75	-34.39
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020304709	0	52	-1.0	-42.09	404.76	5.13	-36.96
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020304709	1	52	-1.0	-42.05	404.82	5.15	-36.90
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020304709	1	53	0.0	-68.75	408.97	7.14	-61.61
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	REAL300020304710	0	54	-1.0	-40.39	412.07	8.20	-32.19
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	REAL300020304710	1	54	-1.0	-40.42	412.13	8.22	-32.20
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020304711	0	46	-1.0	-39.96	373.43	8.85	-31.11
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020304711	1	46	-1.0	-39.94	373.49	8.86	-31.08
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020304712	0	43	-1.0	-43.39	351.65	8.30	-35.09
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020304712	1	43	-1.0	-43.38	351.70	8.33	-35.05
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304713	0	40	-1.0	-46.73	324.46	1.97	-44.76
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304713	1	40	-1.0	-46.74	324.51	1.98	-44.76
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304714	0	37	-1.0	-52.78	308.36	1.32	-51.46
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304714	1	37	-1.0	-52.75	308.31	1.29	-51.46
NC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304715	0	44	-1.0	-51.14	362.56	4.21	-46.93
NC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304715	1	44	-1.0	-51.12	362.61	4.20	-46.92
COC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304716	0	49	-1.0	-43.97	399.09	6.12	-37.85
COC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304716	1	49	-1.0	-44.01	399.14	6.14	-37.87
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1	REAL300020304717	0	40	-1.0	-41.59	322.14	7.45	-34.14
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1	REAL300020304717	1	40	-1.0	-41.54	322.17	7.44	-34.10
CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304718	0	42	-1.0	-38.87	339.73	6.76	-32.11
CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304718	1	42	-1.0	-38.88	339.78	6.78	-32.10
CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304719	0	46	-1.0	-40.45	369.60	9.08	-31.37
CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304719	1	46	-1.0	-40.43	369.62	9.07	-31.36
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1	REAL300020304720	0	41	-1.0	-41.42	341.87	5.89	-35.53
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1	REAL300020304720	1	41	-1.0	-41.37	341.91	5.88	-35.49
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304721	0	43	-1.0	-44.88	358.11	5.15	-39.73
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304721	1	43	-1.0	-44.90	358.17	5.17	-39.73
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304722	0	40	-1.0	-44.80	335.80	4.31	-40.49
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304722	1	40	-1.0	-44.79	335.86	4.33	-40.46
CC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304723	0	47	-1.0	-48.17	374.56	7.18	-40.99
CC(=O)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304723	1	47	-1.0	-48.22	374.58	7.17	-41.05
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020304724	0	48	-1.0	-40.87	394.26	7.18	-33.69
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020304724	1	48	-1.0	-40.87	394.32	7.20	-33.67
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020304725	0	45	-1.0	-43.80	376.06	6.82	-36.98
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020304725	1	45	-1.0	-43.88	376.12	6.84	-37.04
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020304726	0	52	-1.0	-40.27	416.73	10.58	-29.69
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020304726	1	52	-1.0	-40.28	416.79	10.59	-29.69
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020304727	0	49	-1.0	-42.53	396.39	9.83	-32.70
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020304727	1	49	-1.0	-42.49	396.44	9.85	-32.64
CC1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304728	0	45	-1.0	-38.64	356.07	7.62	-31.02
CC1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304728	1	45	-1.0	-38.64	356.12	7.64	-31.00
CC1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304729	0	42	-1.0	-40.06	338.45	6.77	-33.29
CC1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304729	1	42	-1.0	-40.09	338.51	6.78	-33.31
CC1CC(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304730	0	49	-1.0	-40.07	392.54	9.50	-30.57
CC1CC(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304730	1	49	-1.0	-40.02	392.59	9.49	-30.53
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304731	0	48	-1.0	-40.82	399.18	7.85	-32.97
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304731	1	48	-1.0	-40.83	399.24	7.87	-32.96
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304732	0	45	-1.0	-42.07	377.67	7.07	-35.00
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304732	1	45	-1.0	-42.10	377.73	7.09	-35.01
CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304733	0	45	-1.0	-40.15	370.27	8.53	-31.62
CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304733	1	45	-1.0	-40.09	370.32	8.52	-31.57
CCOC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304734	0	47	-1.0	-42.84	392.47	5.91	-36.93
CCOC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304734	1	47	-1.0	-42.84	392.53	5.92	-36.92
CCOC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304735	0	44	-1.0	-44.72	370.98	5.13	-39.59
CCOC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304735	1	44	-1.0	-44.76	371.05	5.15	-39.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020304736	0	48	-1.0	-40.35	397.52	7.26	-33.09
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020304736	1	48	-1.0	-40.34	397.58	7.28	-33.06
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020304737	0	45	-1.0	-41.64	375.34	6.68	-34.96
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020304737	1	45	-1.0	-41.63	375.40	6.70	-34.93
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304738	0	43	-1.0	-44.83	354.90	3.06	-41.77
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304738	1	43	-1.0	-44.84	354.96	3.08	-41.76
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304739	0	40	-1.0	-48.27	333.86	2.28	-45.99
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304739	1	40	-1.0	-48.22	333.92	2.31	-45.91
NC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304740	0	47	-1.0	-47.48	374.76	5.02	-42.46
NC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304740	1	47	-1.0	-47.49	374.77	5.00	-42.49
CCOC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304741	0	48	-1.0	-44.02	398.38	8.02	-36.00
CCOC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304741	1	48	-1.0	-44.04	398.44	8.03	-36.01
CCOC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304742	0	45	-1.0	-47.54	377.41	7.03	-40.51
CCOC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304742	1	45	-1.0	-47.57	377.46	7.06	-40.51
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020304743	0	46	-1.0	-43.12	385.20	6.84	-36.28
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020304743	1	46	-1.0	-43.09	385.14	6.83	-36.26
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020304744	0	43	-1.0	-45.08	363.74	6.07	-39.01
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020304744	1	43	-1.0	-45.03	363.69	6.05	-38.98
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304745	0	42	-1.0	-38.90	339.16	6.97	-31.93
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304745	1	42	-1.0	-38.93	339.22	6.99	-31.94
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304746	0	46	-1.0	-40.84	359.72	8.96	-31.88
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304746	1	46	-1.0	-40.83	359.76	8.95	-31.88
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020304747	0	47	-1.0	-41.28	388.81	6.62	-34.66
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020304747	1	47	-1.0	-41.26	388.87	6.63	-34.63
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020304748	0	44	-1.0	-42.55	366.63	6.03	-36.52
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020304748	1	44	-1.0	-42.60	366.69	6.06	-36.54
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1C	REAL300020304749	0	54	-1.0	-39.23	431.96	9.13	-30.10
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1C	REAL300020304749	1	54	-1.0	-39.25	432.01	9.14	-30.11
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1C	REAL300020304750	0	51	-1.0	-41.03	410.19	8.34	-32.69
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1C	REAL300020304750	1	51	-1.0	-41.08	410.25	8.36	-32.72
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020304751	0	44	-1.0	-42.83	384.67	7.60	-35.23
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020304751	1	44	-1.0	-42.88	384.73	7.62	-35.26
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304752	0	43	-1.0	-43.83	365.49	5.22	-38.61
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304752	1	43	-1.0	-43.91	365.55	5.23	-38.68
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304753	0	40	-1.0	-44.96	347.03	4.77	-40.19
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304753	1	40	-1.0	-44.97	347.09	4.80	-40.17
O=C(C1=COC=C1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304754	0	47	-1.0	-45.64	393.65	5.95	-39.69
O=C(C1=COC=C1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304754	1	47	-1.0	-45.67	393.71	5.96	-39.71
O=C(C1=COC=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304755	0	44	-1.0	-48.24	372.20	5.14	-43.10
O=C(C1=COC=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304755	1	44	-1.0	-48.21	372.26	5.16	-43.05
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020304756	0	52	0.0	-63.18	396.15	8.50	-54.68
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020304756	1	52	0.0	-63.17	396.21	8.51	-54.66
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020304757	0	49	0.0	-62.64	369.04	7.81	-54.83
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020304757	1	49	0.0	-62.64	369.10	7.84	-54.80
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304758	0	48	-1.0	-40.89	397.64	10.30	-30.59
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304758	1	48	-1.0	-40.92	397.69	10.31	-30.61
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304759	0	45	-1.0	-42.26	382.43	9.44	-32.82
CN(CC1=CC2=CC=CC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304759	1	45	-1.0	-42.25	382.37	9.42	-32.83
CC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304760	0	55	0.0	-67.86	430.74	10.24	-57.62
CC1=CC=CC=C1CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304760	1	54	-1.0	-40.14	435.35	8.17	-31.97
CC1=CC=CC=C1CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304760	1	54	-1.0	-40.15	435.40	8.19	-31.96
CC1=CC=CC=C1C[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304761	0	52	0.0	-66.56	413.00	9.60	-56.96
CC1=CC=CC=C1CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304761	1	51	-1.0	-41.55	413.93	7.42	-34.13
CC1=CC=CC=C1CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304761	1	51	-1.0	-41.55	413.99	7.44	-34.11
CN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304762	0	39	-1.0	-38.12	365.60	7.65	-30.47
CN(CC1=CC=C(Cl)S1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304762	1	39	-1.0	-38.10	365.66	7.67	-30.43
CN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304763	0	36	-1.0	-39.02	344.10	6.87	-32.15
CN(CC1=CC=C(Cl)S1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304763	1	36	-1.0	-39.04	344.17	6.89	-32.15
COC1=CC=C(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020304764	0	50	-1.0	-41.31	412.13	7.08	-34.23
COC1=CC=C(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020304764	1	50	-1.0	-41.36	412.19	7.09	-34.27
COC1=CC=C(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020304765	0	47	-1.0	-41.99	393.63	6.39	-35.60
COC1=CC=C(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020304765	1	47	-1.0	-41.99	393.68	6.41	-35.58
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304766	0	55	0.0	-62.45	425.53	10.17	-52.28
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304766	1	55	0.0	-62.47	425.59	10.18	-52.29
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020304767	0	50	-1.0	-42.62	411.18	8.56	-34.06
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020304767	1	50	-1.0	-42.62	411.24	8.59	-34.03
CN(CCC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304768	0	42	-1.0	-41.04	357.99	7.81	-33.23
CN(CCC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304768	1	42	-1.0	-41.03	358.05	7.83	-33.20
CN(CCC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304769	0	39	-1.0	-41.39	349.06	7.09	-34.30
CN(CCC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304769	1	39	-1.0	-41.38	349.11	7.12	-34.26
CN(CCC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304770	0	46	-1.0	-42.56	393.70	10.01	-32.55
CN(CCC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304770	1	46	-1.0	-42.55	393.73	10.00	-32.55
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304771	0	55	0.0	-69.05	435.73	10.32	-58.73
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304771	1	55	0.0	-67.62	424.24	10.20	-57.42
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304771	1	55	0.0	-69.09	435.79	10.34	-58.75
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304771	1	55	0.0	-67.63	424.30	10.22	-57.41
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304772	0	52	0.0	-65.73	404.79	9.55	-56.18
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304772	1	52	0.0	-67.00	404.23	9.54	-57.46
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304772	1	52	0.0	-65.77	404.85	9.57	-56.20
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304772	1	52	0.0	-67.02	404.29	9.57	-57.45
CS(=O)(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304773	0	45	-1.0	-52.11	378.36	3.49	-48.62
CS(=O)(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304773	1	45	-1.0	-52.14	378.42	3.51	-48.63
CS(=O)(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304774	0	42	-1.0	-56.81	360.62	2.83	-53.98
CS(=O)(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304774	1	42	-1.0	-56.84	360.67	2.85	-53.99
CCC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020304775	0	54	-1.0	-39.63	433.98	8.64	-30.99
CCC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020304775	1	54	-1.0	-39.65	434.04	8.66	-30.99
CCC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020304776	0	51	-1.0	-41.29	411.80	8.06	-33.23
CCC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020304776	1	51	-1.0	-41.28	411.85	8.09	-33.19
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020304777	0	47	-1.0	-42.00	389.34	6.57	-35.43
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020304777	1	47	-1.0	-42.00	389.28	6.55	-35.45
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020304778	0	44	-1.0	-44.19	371.57	5.92	-38.27
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020304778	1	44	-1.0	-44.17	371.50	5.88	-38.29
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304779	0	46	-1.0	-41.79	390.40	7.99	-33.80
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304779	1	46	-1.0	-41.79	390.46	8.01	-33.78
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304780	0	43	-1.0	-44.75	368.95	7.23	-37.52
CN(CC1=C2C=CNC2=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304780	1	43	-1.0	-44.72	368.89	7.21	-37.51
CC1=C(C)SC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020304781	0	47	-1.0	-43.27	400.86	6.11	-37.16
CC1=C(C)SC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020304781	1	47	-1.0	-43.30	400.91	6.14	-37.16
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304782	0	45	-1.0	-40.68	387.56	8.55	-32.13
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304782	1	45	-1.0	-40.68	387.61	8.56	-32.12
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304783	0	42	-1.0	-41.77	366.19	7.79	-33.98
CN(CC1=CC2=CC=CC=C2O1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304783	1	42	-1.0	-41.80	366.13	7.76	-34.04
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020304784	0	45	-1.0	-39.27	384.16	6.40	-32.87
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020304784	1	45	-1.0	-39.26	384.22	6.42	-32.84
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020304785	0	42	-1.0	-41.03	362.40	5.61	-35.42
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020304785	1	42	-1.0	-41.10	362.45	5.64	-35.46
COCCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304786	0	53	-1.0	-45.18	435.98	4.74	-40.44
COCCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304786	1	53	-1.0	-45.15	436.03	4.76	-40.39
COCCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304787	0	50	-1.0	-44.63	408.15	4.11	-40.52
COCCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304787	1	50	-1.0	-44.98	407.41	4.12	-40.86
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304788	0	54	0.0	-66.04	405.32	8.65	-57.39
CC[NH+](CC)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304788	1	54	0.0	-66.07	405.37	8.66	-57.41
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304789	0	51	0.0	-66.74	378.39	7.96	-58.78
CC[NH+](CC)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304789	1	51	0.0	-66.75	378.44	7.99	-58.76
CC1=NC=CN=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304790	0	49	-1.0	-41.21	407.05	5.76	-35.45
CC1=NC=CN=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304790	1	49	-1.0	-41.23	407.11	5.77	-35.46
CC1=NC=CN=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304791	0	46	-1.0	-42.50	383.33	5.04	-37.46
CC1=NC=CN=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304791	1	46	-1.0	-42.52	383.37	5.06	-37.46
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020304792	0	51	-1.0	-39.67	414.42	8.29	-31.38
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020304792	1	51	-1.0	-39.69	414.48	8.30	-31.39
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020304793	0	48	-1.0	-40.69	393.78	7.33	-33.36
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020304793	1	48	-1.0	-40.70	393.83	7.36	-33.34
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304794	0	42	-1.0	-38.99	364.38	8.18	-30.81
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304794	1	42	-1.0	-39.04	364.44	8.19	-30.85
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304795	0	39	-1.0	-41.05	342.62	7.38	-33.67
CN(CC1=CC(F)=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304795	1	39	-1.0	-41.04	342.68	7.41	-33.63
CCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304796	0	48	-1.0	-38.85	379.60	8.17	-30.68
CCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304796	1	48	-1.0	-38.84	379.66	8.18	-30.66
CCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304797	0	45	-1.0	-41.81	358.09	7.62	-34.19
CCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304797	1	45	-1.0	-41.81	358.15	7.65	-34.16
CCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304798	0	52	-1.0	-39.98	411.62	10.28	-29.70
CCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304798	1	52	-1.0	-40.02	411.67	10.27	-29.75
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304799	0	52	-1.0	-41.08	423.30	8.78	-32.30
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304799	1	52	-1.0	-41.14	423.36	8.79	-32.35
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304800	0	49	-1.0	-41.19	400.69	8.31	-32.88
CN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304800	1	49	-1.0	-41.22	400.74	8.33	-32.89
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020304801	0	50	-1.0	-38.93	404.47	7.92	-31.01
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020304801	1	50	-1.0	-38.94	404.53	7.94	-31.00
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020304802	0	47	-1.0	-39.49	382.94	7.15	-32.34
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020304802	1	47	-1.0	-39.48	382.99	7.16	-32.32
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304803	0	42	-1.0	-39.99	369.42	6.47	-33.52
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304803	1	42	-1.0	-40.01	369.48	6.48	-33.53
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304804	0	39	-1.0	-42.43	347.94	5.67	-36.76
CN(CC1=NC=C(Cl)N1C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304804	1	39	-1.0	-42.41	348.00	5.69	-36.72
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020304805	0	50	-1.0	-37.86	391.46	9.10	-28.76
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020304805	1	50	-1.0	-37.85	391.52	9.11	-28.74
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020304806	0	47	-1.0	-40.35	369.42	8.70	-31.65
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020304806	1	47	-1.0	-40.37	369.48	8.72	-31.65
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020304807	0	56	0.0	-65.37	414.74	9.76	-55.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020304807	1	56	0.0	-65.35	414.68	9.75	-55.60
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020304808	0	53	0.0	-59.48	386.11	9.31	-50.17
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020304808	1	53	0.0	-59.41	386.18	9.31	-50.10
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020304809	0	44	-1.0	-43.60	388.15	7.62	-35.98
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020304809	1	44	-1.0	-43.62	388.21	7.65	-35.97
CN(CC1=CC=C(S(C)=O)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304810	0	47	-1.0	-48.73	403.77	6.64	-42.09
CN(CC1=CC=C(S(C)=O)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304810	1	47	-1.0	-48.71	403.83	6.65	-42.06
CN(CC1=CC=C(S(C)=O)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304811	0	44	-1.0	-49.61	388.55	5.77	-43.84
CN(CC1=CC=C(S(C)=O)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304811	1	44	-1.0	-49.62	388.61	5.78	-43.84
CCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304812	0	49	-1.0	-43.30	401.92	5.30	-38.00
CCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304812	1	49	-1.0	-43.30	401.98	5.31	-37.99
CCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304813	0	46	-1.0	-44.11	380.42	4.51	-39.60
CCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304813	1	46	-1.0	-44.13	380.47	4.54	-39.59
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304814	0	46	-1.0	-46.23	382.55	4.63	-41.60
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304814	1	46	-1.0	-46.20	382.60	4.64	-41.56
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304815	0	43	-1.0	-48.74	360.76	3.85	-44.89
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304815	1	43	-1.0	-48.73	360.81	3.87	-44.86
CC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304816	0	50	-1.0	-47.51	409.49	6.58	-40.93
CC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304816	1	50	-1.0	-47.52	409.53	6.58	-40.94
CC(C)(C)OC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304817	0	53	-1.0	-43.57	413.80	5.18	-38.39
CC(C)(C)OC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304817	1	53	-1.0	-43.57	413.85	5.19	-38.38
CC(C)(C)OC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304818	0	50	-1.0	-45.54	400.69	4.73	-40.81
CC(C)(C)OC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304818	1	50	-1.0	-45.55	400.75	4.76	-40.79
CC(C)(C)OC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304819	0	53	-1.0	-47.39	422.01	5.29	-42.10
CC(C)(C)OC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304819	1	53	-1.0	-47.43	422.07	5.32	-42.11
CN(CC1=CC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304820	0	39	-1.0	-38.61	348.94	7.06	-31.55
CN(CC1=CC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304820	1	39	-1.0	-38.60	349.00	7.07	-31.53
CN(CC1=CC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304821	0	36	-1.0	-42.57	320.58	6.41	-36.16
CN(CC1=CC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304821	1	36	-1.0	-42.57	320.52	6.38	-36.19
CN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304822	0	43	-1.0	-41.11	369.63	9.12	-31.99
CN(CC1=CC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304822	1	43	-1.0	-41.14	369.65	9.12	-32.02
CN(CC1=CC=C(Cl)C=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304823	0	42	-1.0	-38.95	380.71	8.56	-30.39
CN(CC1=CC=C(Cl)C=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304823	1	42	-1.0	-38.96	380.77	8.58	-30.38
CN(CC1=CC=C(Cl)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304824	0	39	-1.0	-39.80	356.16	7.99	-31.81
CN(CC1=CC=C(Cl)C=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304824	1	39	-1.0	-39.81	356.22	8.02	-31.79
CC(C)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304825	0	49	-1.0	-44.00	393.29	6.29	-37.71
CC(C)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304825	1	49	-1.0	-44.05	393.35	6.31	-37.74
CC(C)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304826	0	46	-1.0	-43.92	373.61	5.53	-38.39
CC(C)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304826	1	46	-1.0	-43.93	373.67	5.56	-38.37
O=C(C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1)N1CCOCC1	REAL300020304827	0	51	-1.0	-47.83	403.01	5.11	-42.72
O=C(C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1)N1CCOCC1	REAL300020304827	1	51	-1.0	-47.84	403.06	5.13	-42.71
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020304828	0	48	-1.0	-43.54	390.08	7.78	-35.76
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020304828	1	48	-1.0	-43.52	390.14	7.80	-35.72
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020304829	0	45	-1.0	-45.30	366.22	6.83	-38.47
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020304829	1	45	-1.0	-45.35	366.28	6.85	-38.50
O=C1CCCN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304830	0	50	-1.0	-44.34	398.79	7.02	-37.32
O=C1CCCN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304830	1	50	-1.0	-44.35	398.85	7.03	-37.32
O=C1CCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304831	0	47	-1.0	-45.91	376.84	6.42	-39.49
O=C1CCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304831	1	47	-1.0	-45.92	376.90	6.43	-39.49
COC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304832	0	43	-1.0	-40.23	351.50	5.16	-35.07
COC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304832	1	43	-1.0	-40.31	351.56	5.18	-35.13
COC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304833	0	40	-1.0	-41.48	333.72	4.50	-36.98
COC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304833	1	40	-1.0	-41.49	333.78	4.53	-36.96
COC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304834	0	47	-1.0	-42.83	372.56	7.34	-35.49
COC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304834	1	47	-1.0	-42.84	372.59	7.34	-35.50
COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304835	0	46	-1.0	-39.89	372.82	5.87	-34.02
COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304835	1	46	-1.0	-39.86	372.88	5.89	-33.97
COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304836	0	43	-1.0	-41.68	350.87	5.27	-36.41
COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304836	1	43	-1.0	-41.64	350.93	5.29	-36.35
COCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304837	0	50	-1.0	-41.38	403.44	7.96	-33.42
COCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304837	1	50	-1.0	-41.37	403.47	7.96	-33.41
O=S1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304838	0	38	-1.0	-45.67	328.43	3.25	-42.42
O=S1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304838	1	38	-1.0	-45.67	328.49	3.26	-42.41
O=S1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304839	0	35	-1.0	-45.83	310.09	2.78	-43.05
O=S1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304839	1	35	-1.0	-45.83	310.15	2.81	-43.02
O=S1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304840	0	42	-1.0	-48.02	359.99	5.56	-42.46
O=S1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304840	1	42	-1.0	-48.03	360.04	5.55	-42.48
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020304841	0	55	0.0	-61.73	421.54	10.07	-51.66
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020304841	1	55	0.0	-61.70	421.28	10.08	-51.62
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020304841	1	55	0.0	-61.72	421.59	10.10	-51.62
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020304841	1	55	0.0	-61.70	421.34	10.10	-51.60
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020304842	0	55	0.0	-61.06	413.25	9.21	-51.85
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020304842	1	55	0.0	-61.05	413.31	9.23	-51.82
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020304843	0	52	0.0	-61.03	395.23	8.54	-52.49
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020304843	1	52	0.0	-61.04	395.29	8.56	-52.48
C=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304844	0	40	-1.0	-38.79	335.24	6.77	-32.02
C=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304844	1	40	-1.0	-38.76	335.29	6.78	-31.98
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304845	0	44	-1.0	-40.17	363.64	8.78	-31.39
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304845	1	44	-1.0	-40.14	363.68	8.77	-31.37
CN(CC1CCCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304846	0	46	-1.0	-39.68	361.34	6.11	-33.57
CN(CC1CCCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304846	1	46	-1.0	-39.70	361.40	6.13	-33.57
CN(CC1CCCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304847	0	43	-1.0	-40.46	347.38	5.38	-35.08
CN(CC1CCCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304847	1	43	-1.0	-40.47	347.43	5.39	-35.08
CN(CC1CCCOC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304848	0	50	-1.0	-41.67	394.04	8.23	-33.44
CN(CC1CCCOC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304848	1	50	-1.0	-41.61	394.06	8.23	-33.38
CC1(C2=CC=CC=C2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304849	0	52	-1.0	-39.41	408.52	10.03	-29.38
CC1(C2=CC=CC=C2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304849	1	52	-1.0	-39.38	408.58	10.05	-29.33
CC1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304850	0	49	-1.0	-41.98	384.10	9.17	-32.81
CC1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304850	1	49	-1.0	-42.00	384.16	9.20	-32.80
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020304851	0	52	-1.0	-39.31	417.29	10.36	-28.95
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020304851	1	52	-1.0	-39.34	417.35	10.37	-28.97
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020304852	0	49	-1.0	-41.34	399.46	9.70	-31.64
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020304852	1	49	-1.0	-41.36	399.52	9.72	-31.64
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304853	0	38	-1.0	-43.62	330.36	4.18	-39.44
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304853	1	38	-1.0	-43.62	330.41	4.20	-39.42
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304854	0	35	-1.0	-44.88	311.91	3.77	-41.11
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304854	1	35	-1.0	-44.91	311.96	3.78	-41.13
N#CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020304855	0	42	-1.0	-45.95	359.94	6.51	-39.44
N#CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020304855	1	42	-1.0	-45.94	359.98	6.50	-39.44
CN(C)C(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304856	0	51	-1.0	-47.04	408.37	4.10	-42.94
CN(C)C(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304856	1	51	-1.0	-47.08	408.43	4.11	-42.97
CN(C)C(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304857	0	48	-1.0	-48.20	391.63	3.47	-44.73
CN(C)C(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304857	1	48	-1.0	-48.26	391.68	3.49	-44.77
O=C(CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1)N1CCCC1	REAL300020304858	0	52	-1.0	-48.15	418.75	4.76	-43.39
O=C(CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1)N1CCCC1	REAL300020304858	1	52	-1.0	-48.10	418.81	4.79	-43.31
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304859	0	42	-1.0	-41.94	355.07	5.82	-36.12
CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304859	1	42	-1.0	-41.90	355.01	5.81	-36.09
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304860	0	39	-1.0	-43.59	333.34	5.04	-38.55
CN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304860	1	39	-1.0	-43.59	333.28	5.01	-38.58
CN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304861	0	46	-1.0	-45.28	378.47	7.74	-37.54
CN(CC1=CN(C)N=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304861	1	46	-1.0	-45.29	378.44	7.75	-37.54
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020304862	0	48	-1.0	-40.21	406.60	6.60	-33.61
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020304862	1	48	-1.0	-40.19	406.66	6.61	-33.58
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020304862	1	49	0.0	-66.56	404.64	8.69	-57.87
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020304863	0	45	-1.0	-41.98	385.12	5.81	-36.17
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020304863	1	45	-1.0	-41.94	385.18	5.84	-36.10
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020304863	1	46	0.0	-65.74	387.66	8.09	-57.65
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304864	0	45	-1.0	-42.54	377.62	6.70	-35.84
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304864	1	45	-1.0	-42.54	377.67	6.72	-35.82
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304865	0	42	-1.0	-43.35	362.39	5.82	-37.53
CN(CC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304865	1	42	-1.0	-43.40	362.44	5.85	-37.55
COC1=CC(C)=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1OC	REAL300020304866	0	50	-1.0	-43.14	412.21	7.28	-35.86
COC1=CC(C)=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1OC	REAL300020304866	1	50	-1.0	-43.12	412.27	7.31	-35.81
CC1=CC(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=NO1	REAL300020304867	0	50	-1.0	-42.73	410.30	5.63	-37.10
CC1=CC(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=NO1	REAL300020304867	1	50	-1.0	-42.74	410.36	5.64	-37.10
CC1=CC(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=NO1	REAL300020304868	0	47	-1.0	-46.20	392.51	4.82	-41.38
CC1=CC(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=NO1	REAL300020304868	1	47	-1.0	-46.22	392.56	4.85	-41.37
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304869	0	44	-1.0	-41.25	384.58	7.79	-33.46
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304869	1	44	-1.0	-41.24	384.64	7.81	-33.43
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304870	0	41	-1.0	-42.70	369.45	6.82	-35.88
CN(CC1=NC2=CC=CC=C2S1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304870	1	41	-1.0	-42.66	369.51	6.84	-35.82
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304871	0	49	-1.0	-40.49	402.66	8.14	-32.35
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304871	1	49	-1.0	-40.49	402.71	8.16	-32.33
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304872	0	46	-1.0	-42.71	381.21	7.38	-35.33
COC1=CC=C(C)C=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304872	1	46	-1.0	-42.72	381.15	7.36	-35.36
C=CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304873	0	44	-1.0	-40.16	356.38	5.89	-34.27
C=CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304873	1	44	-1.0	-40.14	356.43	5.90	-34.24
C=CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304874	0	41	-1.0	-40.64	343.27	5.44	-35.20
C=CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304874	1	41	-1.0	-40.65	343.33	5.46	-35.19
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304875	0	48	-1.0	-41.57	393.25	8.19	-33.38
C=CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304875	1	48	-1.0	-41.56	393.28	8.18	-33.38
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304876	0	42	-1.0	-39.97	334.20	6.43	-33.54
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304876	1	42	-1.0	-39.97	334.26	6.44	-33.53
CC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304877	0	46	-1.0	-41.30	361.96	8.41	-32.89
CC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304877	1	46	-1.0	-41.34	362.00	8.41	-32.93
CC(C)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304878	0	48	-1.0	-39.02	377.90	8.18	-30.84
CC(C)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304878	1	48	-1.0	-39.03	377.96	8.20	-30.83
CC(C)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304879	0	45	-1.0	-42.06	353.49	7.31	-34.75
CC(C)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304879	1	45	-1.0	-42.05	353.54	7.34	-34.71
CC(C)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304880	0	52	-1.0	-41.16	396.06	10.05	-31.11
CC(C)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304880	1	52	-1.0	-41.14	396.08	10.04	-31.10
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304881	0	46	-1.0	-40.92	371.46	6.07	-34.85
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304881	1	46	-1.0	-40.92	371.52	6.08	-34.84
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304882	0	43	-1.0	-43.09	355.45	5.22	-37.87
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304882	1	43	-1.0	-43.10	355.51	5.24	-37.86
COCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304883	0	50	-1.0	-42.85	396.27	7.83	-35.02
COCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304883	1	50	-1.0	-42.81	396.29	7.82	-34.99
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020304884	0	46	-1.0	-39.44	362.60	8.05	-31.39
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020304884	1	46	-1.0	-39.42	362.66	8.06	-31.36
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020304885	0	43	-1.0	-40.74	345.21	7.37	-33.37
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020304885	1	43	-1.0	-40.71	345.27	7.39	-33.32
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020304886	0	50	-1.0	-41.13	383.66	10.01	-31.12
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020304886	1	50	-1.0	-41.15	383.69	10.00	-31.15
C[C@@H]1CN(CCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H](C)O1	REAL300020304887	0	54	-1.0	-39.63	428.53	4.78	-34.85
C[C@@H]1CN(CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020304887	1	54	-1.0	-39.69	428.59	4.79	-34.90
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020304887	1	55	0.0	-66.18	420.65	7.05	-59.13
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020304887	1	55	0.0	-67.26	428.03	7.15	-60.11
C[C@@H]1CN(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H](C)O1	REAL300020304888	0	51	-1.0	-43.02	399.70	4.09	-38.93
C[C@@H]1CN(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020304888	1	51	-1.0	-43.03	399.76	4.11	-38.92
C[C@@H]1C[N@@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020304888	1	52	0.0	-66.76	404.46	6.50	-60.26
C[C@@H]1C[N@H+](CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020304888	1	52	0.0	-66.12	406.95	6.49	-59.63
CC1=CC=CC=C1C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304889	0	50	-1.0	-40.75	403.11	8.09	-32.66
CC1=CC=CC=C1C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304889	1	50	-1.0	-40.77	403.16	8.10	-32.67
CC1=CC=CC=C1C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304890	0	47	-1.0	-42.38	386.88	7.43	-34.95
CC1=CC=CC=C1C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304890	1	47	-1.0	-42.42	386.94	7.46	-34.96
OC1C2CCCC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020304891	0	47	-1.0	-40.56	359.70	6.22	-34.34
OC1C2CCCC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020304891	1	47	-1.0	-40.54	359.76	6.23	-34.31
OC1C2CCCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020304892	0	44	-1.0	-42.57	341.63	5.54	-37.03
OC1C2CCCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020304892	1	44	-1.0	-42.57	341.69	5.57	-37.00
OC1C2CCCC1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CCF)C2	REAL300020304893	0	51	-1.0	-42.49	383.72	8.48	-34.01
OC1C2CCCC1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CCF)C2	REAL300020304893	1	51	-1.0	-42.44	383.76	8.47	-33.97
NC(=O)C1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304894	0	50	-1.0	-51.03	404.04	5.19	-45.84
NC(=O)C1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304894	1	50	-1.0	-51.06	404.09	5.21	-45.85
CO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304895	0	40	-1.0	-40.55	322.65	4.35	-36.20
CO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304895	1	40	-1.0	-40.61	322.71	4.36	-36.25
CO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304896	0	44	-1.0	-41.62	358.41	6.64	-34.98
CO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304896	1	44	-1.0	-41.55	358.45	6.63	-34.92
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1C	REAL300020304897	0	45	-1.0	-39.33	332.49	6.44	-32.89
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C	REAL300020304897	1	45	-1.0	-39.31	332.54	6.46	-32.85
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C	REAL300020304898	0	42	-1.0	-41.92	316.01	5.82	-36.10
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C	REAL300020304898	1	42	-1.0	-41.91	316.06	5.85	-36.06
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1C	REAL300020304899	0	49	-1.0	-41.02	378.45	9.43	-31.59
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1C	REAL300020304899	1	49	-1.0	-40.95	378.47	9.41	-31.54
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304900	0	40	-1.0	-40.68	336.57	4.46	-36.22
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304900	1	40	-1.0	-40.66	336.63	4.48	-36.18
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304901	0	44	-1.0	-41.98	364.79	6.45	-35.53
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304901	1	44	-1.0	-41.95	364.82	6.43	-35.52
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304902	0	45	-1.0	-38.66	358.12	7.40	-31.26
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304902	1	45	-1.0	-38.64	358.18	7.42	-31.22
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304903	0	42	-1.0	-40.79	340.33	6.75	-34.04
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304903	1	42	-1.0	-40.74	340.39	6.78	-33.96
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304904	0	49	-1.0	-40.24	387.95	9.72	-30.52
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304904	1	49	-1.0	-40.26	387.97	9.71	-30.55
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C)(C)C1	REAL300020304905	0	48	-1.0	-38.50	376.27	8.11	-30.39
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C)(C)C1	REAL300020304905	1	48	-1.0	-38.50	376.33	8.13	-30.37
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C)(C)C1	REAL300020304906	0	45	-1.0	-39.99	354.33	7.51	-32.48
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C)(C)C1	REAL300020304906	1	45	-1.0	-40.02	354.38	7.53	-32.49
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC(C)(C)C1	REAL300020304907	0	52	-1.0	-39.91	408.32	10.23	-29.68
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC(C)(C)C1	REAL300020304907	1	52	-1.0	-39.92	408.38	10.21	-29.71
C=CCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304908	0	48	-1.0	-39.65	390.44	8.76	-30.89
C=CCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304908	1	48	-1.0	-39.65	390.50	8.78	-30.87
C=CCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304909	0	45	-1.0	-39.67	362.56	8.13	-31.54
C=CCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304909	1	45	-1.0	-39.62	362.62	8.15	-31.47
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304910	0	52	-1.0	-40.31	426.08	10.66	-29.65
C=CCCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304910	1	52	-1.0	-40.27	426.13	10.65	-29.62
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCS1	REAL300020304911	0	43	-1.0	-38.41	359.03	7.61	-30.80
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCS1	REAL300020304911	1	43	-1.0	-38.42	359.09	7.62	-30.80
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCS1	REAL300020304912	0	40	-1.0	-39.38	341.01	6.80	-32.58
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCS1	REAL300020304912	1	40	-1.0	-39.34	341.07	6.83	-32.51
CCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCS1	REAL300020304913	0	47	-1.0	-39.88	391.31	9.38	-30.50
CCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCS1	REAL300020304913	1	47	-1.0	-39.86	391.35	9.37	-30.49
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1C	REAL300020304914	0	42	-1.0	-39.82	333.45	6.73	-33.09
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C	REAL300020304914	1	42	-1.0	-39.84	333.51	6.74	-33.10
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1C	REAL300020304915	0	46	-1.0	-40.99	361.39	8.55	-32.44
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1C	REAL300020304915	1	46	-1.0	-40.88	361.41	8.54	-32.34
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCS1	REAL300020304916	0	43	-1.0	-38.71	357.43	7.75	-30.96
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCS1	REAL300020304916	1	43	-1.0	-38.71	357.48	7.76	-30.95
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCS1	REAL300020304917	0	40	-1.0	-39.54	338.51	7.04	-32.50
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCS1	REAL300020304917	1	40	-1.0	-39.56	338.57	7.07	-32.49
CC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCS1	REAL300020304918	0	47	-1.0	-40.41	383.60	9.84	-30.57
CC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCS1	REAL300020304918	1	47	-1.0	-40.36	383.63	9.83	-30.53
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020304919	0	47	-1.0	-38.97	366.89	6.32	-32.65
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020304919	1	47	-1.0	-39.03	366.95	6.33	-32.70
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020304920	0	44	-1.0	-40.74	349.65	5.88	-34.86
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020304920	1	44	-1.0	-40.72	349.71	5.89	-34.83
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2OCCCC2C1	REAL300020304921	0	51	-1.0	-40.23	404.11	8.39	-31.84
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2OCCCC2C1	REAL300020304921	1	51	-1.0	-40.23	404.15	8.38	-31.85
CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304922	0	46	-1.0	-39.37	372.65	6.31	-33.06
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304922	1	46	-1.0	-39.38	372.70	6.33	-33.05
CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020304923	0	43	-1.0	-41.12	355.58	5.45	-35.67
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020304923	1	43	-1.0	-41.17	355.63	5.46	-35.71
CCCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020304924	0	50	-1.0	-41.64	393.10	8.25	-33.39
CCCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020304924	1	50	-1.0	-41.60	393.16	8.24	-33.36
CCCC1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304925	0	51	-1.0	-38.64	394.43	9.12	-29.52
CCCC1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304925	1	51	-1.0	-38.65	394.49	9.14	-29.51
CCCC1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304926	0	48	-1.0	-42.12	369.89	8.23	-33.89
CCCC1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304926	1	48	-1.0	-42.12	369.94	8.25	-33.87
CCCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020304927	0	55	-1.0	-39.95	418.78	10.95	-29.00
CCCC1(C)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020304927	1	55	-1.0	-39.91	418.81	10.94	-28.97
CC(C)C(=O)NCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304928	0	55	-1.0	-45.82	438.54	6.66	-39.16
CC(C)C(=O)NCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304928	1	55	-1.0	-45.80	438.59	6.68	-39.12
CC(C)C(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304929	0	52	-1.0	-49.35	420.79	6.01	-43.34
CC(C)C(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304929	1	52	-1.0	-49.35	420.85	6.03	-43.32
CCCC(=O)NCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304930	0	55	-1.0	-46.03	440.49	6.77	-39.26
CCCC(=O)NCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304930	1	55	-1.0	-46.05	440.54	6.78	-39.27
CCCC(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304931	0	52	-1.0	-49.49	422.73	6.11	-43.38
CCCC(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304931	1	52	-1.0	-49.51	422.79	6.14	-43.37
CCCC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304932	0	52	-1.0	-42.52	423.54	6.39	-36.13
CCCC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304932	1	52	-1.0	-42.51	423.60	6.41	-36.10
CCCC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304933	0	49	-1.0	-43.90	402.57	5.42	-38.48
CCCC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304933	1	49	-1.0	-43.86	402.63	5.45	-38.41
CCCCNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304934	0	55	-1.0	-47.79	444.10	6.99	-40.80
CCCCNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304934	1	55	-1.0	-47.79	444.16	7.01	-40.78
CCCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304935	0	52	-1.0	-52.10	423.13	6.01	-46.09
CCCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304935	1	52	-1.0	-52.10	423.19	6.04	-46.06
O=C(NC1CC1)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304936	0	50	-1.0	-46.77	407.72	6.20	-40.57
O=C(NC1CC1)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304936	1	50	-1.0	-46.75	407.78	6.22	-40.53
O=C(NC1CC1)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304937	0	47	-1.0	-52.20	389.92	5.55	-46.65
O=C(NC1CC1)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304937	1	47	-1.0	-52.18	389.98	5.57	-46.61
CCCC(C)NC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304938	0	55	-1.0	-52.38	442.89	7.02	-45.36
CCCC(C)NC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304938	1	55	-1.0	-52.40	442.94	7.04	-45.36
CCCNC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304939	0	52	-1.0	-47.98	422.61	6.22	-41.76
CCCNC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304939	1	52	-1.0	-48.00	422.66	6.24	-41.76
CCCNC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304940	0	49	-1.0	-52.33	401.63	5.24	-47.09
CCCNC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304940	1	49	-1.0	-52.34	401.69	5.26	-47.08
CCCCCC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304941	0	55	-1.0	-48.28	445.85	6.98	-41.30
CCCCCC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304941	1	55	-1.0	-48.33	445.90	7.01	-41.32
CC(C)(C)C(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020304942	0	55	-1.0	-42.20	440.48	6.87	-35.33
CC(C)(C)C(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020304942	1	55	-1.0	-42.16	440.54	6.89	-35.27
CC(C)(C)C(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020304943	0	52	-1.0	-43.57	419.50	5.90	-37.67
CC(C)(C)C(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020304943	1	52	-1.0	-43.58	419.56	5.93	-37.65
CNC(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304944	0	42	-1.0	-49.29	351.25	3.39	-45.90
CNC(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304944	1	42	-1.0	-49.32	351.31	3.40	-45.92
CNC(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304945	0	39	-1.0	-49.53	323.37	2.76	-46.77
CNC(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304945	1	39	-1.0	-49.54	323.42	2.77	-46.77
CNC(=O)CCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304946	0	46	-1.0	-49.35	386.90	5.28	-44.07
CNC(=O)CCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304946	1	46	-1.0	-49.30	386.94	5.27	-44.03
CCCCNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304947	0	55	-1.0	-42.94	444.92	6.83	-36.11
CCCCNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304947	1	55	-1.0	-42.96	444.98	6.85	-36.11
CCCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304948	0	52	-1.0	-47.45	420.27	6.16	-41.29
CCCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304948	1	52	-1.0	-47.44	420.33	6.18	-41.26
O=C(C1=CC=CS1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304949	0	44	-1.0	-43.85	382.79	6.12	-37.73
O=C(C1=CC=CS1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304949	1	44	-1.0	-43.92	382.85	6.14	-37.78
COC1=CC2=CC=C(CN(C)C3=NN=C(CC4=N[N-]N=N4)N3CCF)C=C2C=C1	REAL300020304950	0	49	-1.0	-43.09	411.71	8.72	-34.37
COC1=CC2=CC=C(CN(C)C3=NN=C(CC4=NN=N[N-]4)N3CCF)C=C2C=C1	REAL300020304950	1	49	-1.0	-43.07	411.76	8.74	-34.33
CN(CC1=CSC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304951	0	39	-1.0	-39.06	341.84	7.04	-32.02
CN(CC1=CSC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304951	1	39	-1.0	-39.11	341.89	7.06	-32.05
CN(CC1=CSC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304952	0	36	-1.0	-41.74	320.13	6.27	-35.47
CN(CC1=CSC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304952	1	36	-1.0	-41.70	320.08	6.25	-35.45
CN(CC1=CSC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304953	0	43	-1.0	-41.24	364.62	8.97	-32.27
CN(CC1=CSC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304953	1	43	-1.0	-41.19	364.64	8.96	-32.23
O=C(NC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304954	0	50	-1.0	-44.30	409.57	7.48	-36.82
O=C(NC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304954	1	50	-1.0	-44.33	409.62	7.50	-36.83
CS(=O)(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304955	0	47	-1.0	-47.72	396.29	2.21	-45.51
CS(=O)(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304955	1	47	-1.0	-47.77	396.34	2.23	-45.54
CS(=O)(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304956	0	44	-1.0	-48.59	374.78	1.43	-47.16
CS(=O)(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304956	1	44	-1.0	-48.57	374.84	1.45	-47.12
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304957	0	41	-1.0	-51.26	371.58	4.98	-46.28
CN(CC1=NC(=O)C2=C(C=CS2)N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304957	1	41	-1.0	-51.28	371.64	5.00	-46.28
O=C(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304958	0	51	-1.0	-42.27	418.54	9.53	-32.74
O=C(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304958	1	51	-1.0	-42.29	418.60	9.54	-32.75
O=C(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304959	0	48	-1.0	-43.51	400.72	8.87	-34.64
O=C(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304959	1	48	-1.0	-43.49	400.78	8.89	-34.60
CC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304960	0	51	-1.0	-39.18	415.15	8.57	-30.61
CC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304960	1	51	-1.0	-39.14	415.21	8.58	-30.56
CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304961	0	48	-1.0	-41.72	387.23	7.96	-33.76
CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304961	1	48	-1.0	-41.75	387.28	7.98	-33.77
CS(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304962	0	44	-1.0	-45.05	377.76	2.74	-42.31
CS(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304962	1	44	-1.0	-45.05	377.81	2.75	-42.30
CS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304963	0	41	-1.0	-46.13	356.25	1.95	-44.18
CS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304963	1	41	-1.0	-46.16	356.30	1.98	-44.18
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020304964	0	46	-1.0	-41.76	380.01	4.62	-37.14
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020304964	1	46	-1.0	-41.77	379.96	4.60	-37.17
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020304965	0	43	-1.0	-43.96	362.24	3.97	-39.99
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020304965	1	43	-1.0	-43.97	362.18	3.95	-40.02
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020304966	0	49	-1.0	-39.14	395.99	9.61	-29.53
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020304966	1	49	-1.0	-39.14	396.05	9.62	-29.52
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020304967	0	46	-1.0	-40.43	374.04	9.01	-31.42
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020304967	1	46	-1.0	-40.45	374.10	9.02	-31.43
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304968	0	48	-1.0	-40.32	402.22	10.12	-30.20
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304968	1	48	-1.0	-40.29	402.27	10.13	-30.16
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304969	0	45	-1.0	-45.32	374.51	9.47	-35.85
CN(CC1=CC=CC2=CC=CC=C21)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304969	1	45	-1.0	-45.31	374.45	9.45	-35.86
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1	REAL300020304970	0	43	-1.0	-40.35	351.02	8.33	-32.02
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1	REAL300020304970	1	43	-1.0	-40.30	351.06	8.32	-31.98
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020304971	0	47	-1.0	-41.10	396.10	7.65	-33.45
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020304971	1	47	-1.0	-41.09	396.16	7.67	-33.42
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020304972	0	44	-1.0	-42.39	377.83	7.19	-35.20
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020304972	1	44	-1.0	-42.40	377.88	7.21	-35.19
NC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020304973	0	46	-1.0	-45.81	373.52	3.79	-42.02
NC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020304973	1	46	-1.0	-45.78	373.57	3.81	-41.97
NC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020304974	0	43	-1.0	-50.00	355.61	2.89	-47.11
NC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020304974	1	43	-1.0	-50.01	355.67	2.92	-47.09
NC(=O)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020304975	0	50	-1.0	-47.62	404.04	5.64	-41.98
NC(=O)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020304975	1	50	-1.0	-47.62	404.08	5.65	-41.97
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020304976	0	53	0.0	-71.05	410.95	6.77	-64.28
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020304976	1	53	0.0	-71.08	411.01	6.79	-64.29
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020304977	0	50	0.0	-68.68	388.98	6.18	-62.50
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020304977	1	50	0.0	-68.68	389.04	6.20	-62.48
CN(CCOCC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304978	0	46	-1.0	-41.03	373.26	6.59	-34.44
CN(CCOCC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304978	1	46	-1.0	-41.08	373.32	6.60	-34.48
CN(CCOCC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304979	0	43	-1.0	-40.83	350.71	6.10	-34.73
CN(CCOCC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304979	1	43	-1.0	-41.05	349.97	6.11	-34.94
CN(CCOCC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304980	0	50	-1.0	-41.00	414.04	8.64	-32.36
CN(CCOCC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304980	1	50	-1.0	-41.00	414.10	8.63	-32.37
COCCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304981	0	49	-1.0	-43.30	402.04	5.03	-38.27
COCCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304981	1	49	-1.0	-43.33	402.10	5.04	-38.29
COCCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304982	0	46	-1.0	-42.59	374.21	4.39	-38.20
COCCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304982	1	46	-1.0	-42.84	373.47	4.40	-38.44
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020304983	0	54	-1.0	-40.33	429.62	6.56	-33.77
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020304983	1	54	-1.0	-40.35	429.67	6.57	-33.78
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020304984	0	51	-1.0	-42.00	407.23	5.92	-36.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020304984	1	51	-1.0	-41.97	407.29	5.94	-36.03
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304985	0	49	-1.0	-40.24	391.75	10.36	-29.88
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304985	1	49	-1.0	-40.25	391.80	10.37	-29.88
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304986	0	46	-1.0	-42.03	380.34	9.84	-32.19
CN(CC1(C2=CC=CC=C2)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304986	1	46	-1.0	-42.05	380.40	9.87	-32.18
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304987	0	42	-1.0	-40.75	374.15	8.61	-32.14
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304987	1	42	-1.0	-40.74	374.21	8.62	-32.12
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304988	0	39	-1.0	-41.12	358.92	7.73	-33.39
CN(CC1=CC=C(Cl)C(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304988	1	39	-1.0	-41.14	358.98	7.76	-33.38
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020304989	0	52	-1.0	-41.48	405.89	7.66	-33.82
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020304989	1	52	-1.0	-41.48	405.95	7.68	-33.80
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020304990	0	55	0.0	-64.40	426.88	10.23	-54.17
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020304990	1	55	0.0	-62.61	414.65	10.24	-52.37
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020304990	1	55	0.0	-64.45	426.93	10.26	-54.19
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020304990	1	55	0.0	-62.61	414.70	10.24	-52.37
CC(C)C1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020304991	0	55	-1.0	-41.88	435.66	11.08	-30.80
CC(C)C1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020304991	1	55	-1.0	-41.85	435.72	11.11	-30.74
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300020304992	0	55	-1.0	-42.90	439.49	11.42	-31.48
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300020304992	1	55	-1.0	-42.92	439.55	11.44	-31.48
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020304993	0	44	-1.0	-40.37	342.47	5.04	-35.33
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020304993	1	44	-1.0	-40.40	342.53	5.05	-35.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020304994	0	41	-1.0	-41.14	320.36	4.50	-36.64
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020304994	1	41	-1.0	-41.15	320.41	4.52	-36.63
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020304995	0	48	-1.0	-42.00	375.04	7.16	-34.84
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020304995	1	48	-1.0	-41.98	375.06	7.15	-34.83
CN(CCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304996	0	46	-1.0	-48.25	390.00	7.08	-41.17
CN(CCN1C(=O)C2=CC=CC=C2C1=O)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304996	1	46	-1.0	-48.26	390.06	7.09	-41.17
CN(C[C@H]1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020304997	0	43	-1.0	-39.89	352.24	5.13	-34.76
CN(C[C@H]1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020304997	1	43	-1.0	-39.88	352.30	5.14	-34.74
CN(C[C@H]1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020304998	0	40	-1.0	-41.30	331.48	4.29	-37.01
CN(C[C@H]1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020304998	1	40	-1.0	-41.33	331.54	4.31	-37.02
CN(C[C@H]1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020304999	0	47	-1.0	-42.93	373.72	7.33	-35.60
CN(C[C@H]1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020304999	1	47	-1.0	-42.93	373.79	7.33	-35.60
CC(C)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305000	0	46	-1.0	-39.31	367.52	5.91	-33.40
CC(C)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305000	1	46	-1.0	-39.33	367.57	5.92	-33.41
CC(C)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305001	0	43	-1.0	-41.06	350.42	5.38	-35.68
CC(C)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305001	1	43	-1.0	-41.05	350.48	5.41	-35.64
CC(C)C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020305002	0	50	-1.0	-40.71	400.82	7.95	-32.76
CC(C)C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020305002	1	50	-1.0	-40.73	400.86	7.94	-32.79
CC(C)N1C(=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020305003	0	52	-1.0	-41.25	407.17	7.06	-34.19
CC(C)N1C(=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020305003	1	52	-1.0	-41.25	407.23	7.07	-34.18
CC(C)N1C(=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020305004	0	49	-1.0	-48.13	361.37	4.71	-43.42
CC(C)N1C(=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020305004	1	49	-1.0	-48.18	361.43	4.73	-43.45
COCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305005	0	44	-1.0	-40.62	364.00	3.96	-36.66
COCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305005	1	44	-1.0	-40.58	364.06	3.98	-36.60
COCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305006	0	41	-1.0	-41.37	346.20	3.29	-38.08
COCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305006	1	41	-1.0	-41.42	346.26	3.33	-38.09
COCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020305007	0	48	-1.0	-42.62	380.80	5.35	-37.27
COCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020305007	1	48	-1.0	-42.55	380.84	5.35	-37.20
CN1C=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=O)C=N1	REAL300020305008	0	47	-1.0	-51.54	388.45	5.43	-46.11
CN1C=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=O)C=N1	REAL300020305008	1	47	-1.0	-51.50	388.39	5.42	-46.08
CN1C=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=O)C=N1	REAL300020305009	0	44	-1.0	-54.96	366.96	4.66	-50.30
CN1C=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=O)C=N1	REAL300020305009	1	44	-1.0	-54.97	366.90	4.62	-50.35
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020305010	0	45	-1.0	-39.91	365.88	4.34	-35.57
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020305010	1	45	-1.0	-39.93	365.94	4.35	-35.58
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020305011	0	42	-1.0	-41.07	344.38	3.11	-37.96
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020305011	1	42	-1.0	-41.09	344.44	3.13	-37.96
COCCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305012	0	53	-1.0	-40.12	432.28	6.14	-33.98
COCCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305012	1	53	-1.0	-40.13	432.34	6.15	-33.98
COCCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305013	0	50	-1.0	-41.83	410.78	5.35	-36.48
COCCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305013	1	50	-1.0	-41.86	410.84	5.38	-36.48
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020305014	0	40	-1.0	-40.38	343.94	4.94	-35.44
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020305014	1	40	-1.0	-40.38	343.99	4.96	-35.42
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020305015	0	37	-1.0	-41.37	328.10	4.33	-37.04
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020305015	1	37	-1.0	-41.40	328.15	4.36	-37.04
CN(CC1=NC=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305016	0	38	-1.0	-39.63	337.74	5.49	-34.14
CN(CC1=NC=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305016	1	38	-1.0	-39.62	337.80	5.50	-34.12
CN(CC1=NC=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305017	0	35	-1.0	-40.69	322.67	4.53	-36.16
CN(CC1=NC=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305017	1	35	-1.0	-40.72	322.62	4.50	-36.22
CN(CC1=NC=CS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305018	0	42	-1.0	-41.42	365.11	7.44	-33.98
CN(CC1=NC=CS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305018	1	42	-1.0	-41.39	365.14	7.43	-33.96
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020305019	0	44	-1.0	-41.69	379.37	7.93	-33.76
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020305019	1	44	-1.0	-41.74	379.43	7.95	-33.79
CCOCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305020	0	46	-1.0	-39.93	370.06	6.13	-33.80
CCOCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305020	1	46	-1.0	-39.91	370.11	6.14	-33.77
CCOCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305021	0	43	-1.0	-41.90	356.95	5.48	-36.42
CCOCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305021	1	43	-1.0	-41.90	357.00	5.50	-36.40
CCOCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305022	0	50	-1.0	-41.36	397.64	8.09	-33.27
CCOCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305022	1	50	-1.0	-41.34	397.67	8.08	-33.26
CN(CC1CCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305023	0	43	-1.0	-40.56	348.63	5.21	-35.35
CN(CC1CCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305023	1	43	-1.0	-40.53	348.69	5.23	-35.30
CN(CC1CCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305024	0	40	-1.0	-43.18	326.90	4.42	-38.76
CN(CC1CCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305024	1	40	-1.0	-43.19	326.96	4.44	-38.75
CN(CC1CCOC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305025	0	47	-1.0	-42.86	371.61	7.15	-35.71
CN(CC1CCOC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305025	1	47	-1.0	-42.88	371.57	7.13	-35.75
O=[N+]([O-])C1=NN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020305026	0	45	-1.0	-47.63	390.29	8.05	-39.58
O=[N+]([O-])C1=NN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020305026	1	45	-1.0	-47.63	390.23	8.03	-39.60
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)=C1	REAL300020305027	0	49	-1.0	-40.89	396.91	9.68	-31.21
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)=C1	REAL300020305027	1	49	-1.0	-40.92	396.97	9.70	-31.22
CC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=C1	REAL300020305028	0	46	-1.0	-42.85	369.99	8.99	-33.86
CC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=C1	REAL300020305028	1	46	-1.0	-42.87	370.05	9.02	-33.85
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020305029	0	49	-1.0	-42.78	401.88	9.88	-32.90
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020305029	1	49	-1.0	-42.76	401.93	9.89	-32.87
CCOCCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305030	0	49	-1.0	-43.72	402.35	5.38	-38.34
CCOCCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305030	1	49	-1.0	-43.71	402.41	5.40	-38.31
CCOCCOCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305031	0	46	-1.0	-43.15	374.52	4.75	-38.40
CCOCCOCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305031	1	46	-1.0	-43.47	373.78	4.76	-38.71
CC1=CC=C(N(C)C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020305032	0	54	-1.0	-45.08	418.86	9.61	-35.47
CC1=CC=C(N(C)C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020305032	1	54	-1.0	-45.15	418.92	9.64	-35.51
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020305033	0	44	-1.0	-42.76	374.71	6.16	-36.60
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020305033	1	44	-1.0	-42.75	374.77	6.17	-36.58
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020305034	0	41	-1.0	-45.60	350.73	5.15	-40.45
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020305034	1	41	-1.0	-45.59	350.79	5.17	-40.42
CCC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCO2)C=C1	REAL300020305035	0	50	-1.0	-42.73	414.17	8.59	-34.14
CCC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCO2)C=C1	REAL300020305035	1	50	-1.0	-42.72	414.22	8.62	-34.10
O=S1(=O)CCCN1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305036	0	48	-1.0	-50.23	401.45	3.59	-46.64
O=S1(=O)CCCN1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305036	1	48	-1.0	-50.24	401.51	3.62	-46.62
CN(CCCOC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305037	0	49	-1.0	-41.24	403.02	8.47	-32.77
CN(CCCOC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305037	1	49	-1.0	-41.24	403.07	8.48	-32.76
CN(CCCOC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305038	0	46	-1.0	-41.09	375.14	7.84	-33.25
CN(CCCOC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305038	1	46	-1.0	-41.13	375.19	7.85	-33.28
COC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305039	0	50	-1.0	-42.20	418.77	7.52	-34.68
COC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305039	1	50	-1.0	-42.22	418.83	7.53	-34.69
COC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305040	0	47	-1.0	-44.52	382.65	7.00	-37.52
COC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305040	1	47	-1.0	-44.87	381.90	7.01	-37.86
CCN(CC)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305041	0	54	-1.0	-44.10	422.44	7.17	-36.93
CCN(CC)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305041	1	54	-1.0	-44.12	422.50	7.19	-36.93
CCN(CC)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305042	0	51	-1.0	-48.34	401.22	6.00	-42.34
CCN(CC)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305042	1	51	-1.0	-48.34	401.28	6.03	-42.31
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020305043	0	50	-1.0	-43.02	412.38	8.65	-34.37
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020305043	1	50	-1.0	-43.03	412.43	8.67	-34.36
COC1=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=CC=C1SC	REAL300020305044	0	47	-1.0	-42.84	405.24	7.52	-35.32
COC1=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=CC=C1SC	REAL300020305044	1	47	-1.0	-42.90	405.29	7.53	-35.37
N#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305045	0	40	-1.0	-42.10	342.78	6.58	-35.52
N#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305045	1	40	-1.0	-42.11	342.83	6.59	-35.52
N#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305046	0	37	-1.0	-43.15	321.27	5.79	-37.36
N#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305046	1	37	-1.0	-43.17	321.33	5.82	-37.35
N#CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305047	0	44	-1.0	-44.16	369.70	8.54	-35.62
N#CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305047	1	44	-1.0	-44.18	369.74	8.54	-35.64
O=C1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCN12	REAL300020305048	0	44	-1.0	-44.37	364.96	5.66	-38.71
O=C1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCN12	REAL300020305048	1	44	-1.0	-44.41	365.01	5.67	-38.74
O=C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN12	REAL300020305049	0	41	-1.0	-45.76	342.94	5.07	-40.69
O=C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN12	REAL300020305049	1	41	-1.0	-45.76	343.00	5.09	-40.67
O=C1CCC2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CCN12	REAL300020305050	0	48	-1.0	-46.12	381.80	7.73	-38.39
O=C1CCC2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CCN12	REAL300020305050	1	48	-1.0	-46.09	381.83	7.72	-38.37
NC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305051	0	41	-1.0	-46.66	346.78	1.87	-44.79
NC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305051	1	41	-1.0	-46.69	346.84	1.88	-44.81
NC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305052	0	38	-1.0	-46.72	329.69	1.00	-45.72
NC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305052	1	38	-1.0	-46.69	329.75	1.03	-45.66
NC(=O)C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020305053	0	45	-1.0	-48.46	367.19	3.82	-44.64
NC(=O)C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020305053	1	45	-1.0	-48.41	367.28	3.81	-44.60
CC1=CC=C(CC2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020305054	0	55	-1.0	-39.45	441.57	11.35	-28.10
CC1=CC=C(CC2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020305054	1	55	-1.0	-39.47	441.63	11.37	-28.10
CC1=CC=C(CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020305055	0	52	-1.0	-41.65	420.60	10.37	-31.28
CC1=CC=C(CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020305055	1	52	-1.0	-41.67	420.65	10.40	-31.27
CN(CC1=CC=CC=C1N1CCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305056	0	54	-1.0	-40.13	417.71	9.16	-30.97
CN(CC1=CC=CC=C1N1CCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305056	1	54	-1.0	-40.16	417.77	9.18	-30.98
CN(CC1=CC=CC=C1N1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305057	0	51	-1.0	-44.11	402.12	7.73	-36.38
CN(CC1=CC=CC=C1N1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305057	1	51	-1.0	-44.19	402.18	7.74	-36.45
CN(CC1=CC=CC=C1N1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305058	0	54	-1.0	-44.99	427.77	9.18	-35.81
CN(CC1=CC=CC=C1N1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305058	1	54	-1.0	-45.01	427.82	9.21	-35.80
CN(CC1=CC=C(N2CCCCC2)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305059	0	54	-1.0	-40.32	425.84	8.47	-31.85
CN(CC1=CC=C(N2CCCCC2)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305059	1	54	-1.0	-40.36	425.89	8.48	-31.88
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020305060	0	48	-1.0	-39.49	401.50	6.11	-33.38
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020305060	1	48	-1.0	-39.50	401.56	6.12	-33.38
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020305060	1	49	0.0	-68.88	408.25	8.65	-60.23
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020305061	0	45	-1.0	-41.17	383.67	5.49	-35.68
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020305061	1	45	-1.0	-41.27	383.73	5.52	-35.75
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020305061	1	46	0.0	-66.57	382.37	7.95	-58.62
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305062	0	43	-1.0	-39.93	347.52	5.56	-34.37
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305062	1	43	-1.0	-39.95	347.58	5.58	-34.37
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305063	0	40	-1.0	-41.69	325.60	4.78	-36.91
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305063	1	40	-1.0	-41.68	325.66	4.81	-36.87
CC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020305064	0	47	-1.0	-41.70	367.29	7.49	-34.21
CC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020305064	1	47	-1.0	-41.76	367.38	7.47	-34.29
CCS(=O)(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305065	0	47	-1.0	-47.86	396.25	2.29	-45.57
CCS(=O)(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305065	1	47	-1.0	-47.90	396.31	2.31	-45.59
CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305066	0	45	-1.0	-38.66	358.12	7.40	-31.26
CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305066	1	45	-1.0	-38.64	358.18	7.42	-31.22
CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305067	0	42	-1.0	-40.79	340.33	6.75	-34.04
CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305067	1	42	-1.0	-40.74	340.39	6.78	-33.96
CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305068	0	49	-1.0	-40.24	387.95	9.72	-30.52
CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305068	1	49	-1.0	-40.26	387.97	9.71	-30.55
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305069	0	47	-1.0	-44.69	395.38	6.27	-38.42
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305069	1	47	-1.0	-44.68	395.44	6.28	-38.40
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305070	0	44	-1.0	-47.02	373.77	5.46	-41.56
O=C(C1=CC=CO1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305070	1	44	-1.0	-47.02	373.82	5.48	-41.54
CN(CC(F)(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305071	0	35	-1.0	-42.40	304.89	5.08	-37.32
CN(CC(F)(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305071	1	35	-1.0	-42.40	304.94	5.09	-37.31
CN(CC(F)(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305072	0	32	-1.0	-41.26	284.80	4.44	-36.82
CN(CC(F)(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305072	1	32	-1.0	-41.31	284.85	4.46	-36.85
CN(CC(F)(F)F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305073	0	39	-1.0	-40.58	332.84	7.54	-33.04
CN(CC(F)(F)F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305073	1	39	-1.0	-40.55	332.85	7.53	-33.02
CC(C)N(C)C(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305074	0	55	-1.0	-43.35	431.25	7.62	-35.73
CC(C)N(C)C(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305074	1	55	-1.0	-43.37	431.30	7.63	-35.74
CC(C)N(C)C(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305075	0	52	-1.0	-44.11	409.74	6.83	-37.28
CC(C)N(C)C(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305075	1	52	-1.0	-44.13	409.80	6.86	-37.27
CN(CCCCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305076	0	51	-1.0	-41.13	410.77	10.28	-30.85
CN(CCCCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305076	1	51	-1.0	-41.16	410.83	10.30	-30.86
CN(CCCCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305077	0	48	-1.0	-41.32	388.16	9.81	-31.51
CN(CCCCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305077	1	48	-1.0	-41.34	388.21	9.83	-31.51
CN(CC1=CC(Cl)=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305078	0	42	-1.0	-38.47	385.02	9.06	-29.41
CN(CC1=CC(Cl)=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305078	1	42	-1.0	-38.47	385.08	9.08	-29.39
CN(CC1=CC(Cl)=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305079	0	39	-1.0	-40.64	363.27	8.27	-32.37
CN(CC1=CC(Cl)=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305079	1	39	-1.0	-40.62	363.32	8.29	-32.33
CC(C#N)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305080	0	39	-1.0	-43.97	334.12	6.13	-37.84
CC(C#N)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305080	1	39	-1.0	-43.94	334.17	6.15	-37.79
CC(C#N)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305081	0	43	-1.0	-46.57	363.80	8.39	-38.18
CC(C#N)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305081	1	43	-1.0	-46.53	363.85	8.39	-38.14
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020305082	0	50	-1.0	-45.82	410.33	7.90	-37.92
CC1=CC=C(C(=O)N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020305082	1	50	-1.0	-45.83	410.39	7.92	-37.91
CC1(C)CN=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)S1	REAL300020305083	0	49	-1.0	-43.43	399.68	6.59	-36.84
CC1(C)CN=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)S1	REAL300020305083	1	49	-1.0	-43.46	399.73	6.62	-36.84
N#CC1=CC=CC(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020305084	0	48	-1.0	-42.93	408.24	8.32	-34.61
N#CC1=CC=CC(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020305084	1	48	-1.0	-42.95	408.30	8.35	-34.60
CN(CC1=CC=CC=C1C1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305085	0	49	-1.0	-42.93	409.22	10.52	-32.41
CN(CC1=CC=CC=C1C1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305085	1	49	-1.0	-42.94	409.16	10.50	-32.44
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020305086	0	52	0.0	-60.56	399.64	8.56	-52.00
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020305086	1	52	0.0	-60.60	399.70	8.58	-52.02
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020305087	0	49	0.0	-61.07	380.84	7.84	-53.23
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020305087	1	49	0.0	-61.10	380.90	7.86	-53.24
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305088	0	45	-1.0	-39.32	383.71	8.84	-30.48
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305088	1	45	-1.0	-39.34	383.77	8.85	-30.49
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305089	0	42	-1.0	-41.69	374.79	8.60	-33.09
CN(CC1=CSC2=CC=CC=C12)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305089	1	42	-1.0	-41.72	374.73	8.57	-33.15
O=C(CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1)N1CCCC1	REAL300020305090	0	53	-1.0	-46.93	418.64	7.88	-39.05
O=C(CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1)N1CCCC1	REAL300020305090	1	53	-1.0	-46.92	418.69	7.91	-39.01
NC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305091	0	46	-1.0	-43.07	376.29	3.85	-39.22
NC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305091	1	46	-1.0	-43.05	376.35	3.87	-39.18
NC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305092	0	43	-1.0	-45.62	355.59	2.88	-42.74
NC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305092	1	43	-1.0	-45.63	355.64	2.90	-42.73
NC(=O)CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305093	0	50	-1.0	-44.61	403.28	5.86	-38.75
NC(=O)CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305093	1	50	-1.0	-44.56	403.36	5.86	-38.70
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CCOC	REAL300020305094	0	58	0.0	-64.58	444.08	7.90	-56.68
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+]1CCOC	REAL300020305094	1	58	0.0	-64.16	437.28	8.10	-56.06
CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1CCOC	REAL300020305094	1	57	-1.0	-40.58	436.79	5.45	-35.13
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CCOC	REAL300020305095	0	55	0.0	-63.22	405.62	6.71	-56.51
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1CCOC	REAL300020305095	1	55	0.0	-61.08	412.96	7.42	-53.66
CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1CCOC	REAL300020305095	1	54	-1.0	-41.84	420.87	5.43	-36.41
CN1N=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=CC1=O	REAL300020305096	0	45	-1.0	-43.42	381.38	5.47	-37.95
CN1N=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=CC1=O	REAL300020305096	1	45	-1.0	-43.43	381.44	5.48	-37.95
CN1N=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=CC1=O	REAL300020305097	0	42	-1.0	-44.51	353.76	4.81	-39.70
CN1N=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=CC1=O	REAL300020305097	1	42	-1.0	-44.55	353.82	4.84	-39.71
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020305098	0	48	-1.0	-40.27	372.93	4.89	-35.38
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020305098	1	48	-1.0	-40.33	372.99	4.90	-35.43
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020305099	0	45	-1.0	-42.51	356.59	4.33	-38.18
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020305099	1	45	-1.0	-42.53	356.64	4.35	-38.18
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2(CCOCC2)O1	REAL300020305100	0	51	-1.0	-39.69	402.94	5.74	-33.95
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2(CCOCC2)O1	REAL300020305100	1	51	-1.0	-39.69	402.99	5.75	-33.94
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2(CCOCC2)O1	REAL300020305101	0	48	-1.0	-42.16	377.79	5.07	-37.09
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2(CCOCC2)O1	REAL300020305101	1	48	-1.0	-42.19	377.85	5.09	-37.10
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2(CCCOC2)O1	REAL300020305102	0	51	-1.0	-40.23	402.93	6.21	-34.02
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2(CCCOC2)O1	REAL300020305102	1	51	-1.0	-40.27	402.99	6.22	-34.05
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2(CCCOC2)O1	REAL300020305103	0	48	-1.0	-41.38	381.37	5.41	-35.97
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2(CCCOC2)O1	REAL300020305103	1	48	-1.0	-41.44	381.43	5.44	-36.00
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2(CCOC2)O1	REAL300020305104	0	48	-1.0	-40.15	386.99	4.63	-35.52
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2(CCOC2)O1	REAL300020305104	1	48	-1.0	-40.17	387.05	4.65	-35.52
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2(CCOC2)O1	REAL300020305105	0	45	-1.0	-41.42	364.77	3.81	-37.61
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2(CCOC2)O1	REAL300020305105	1	45	-1.0	-41.40	364.83	3.84	-37.56
CC(C)COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305106	0	53	-1.0	-42.48	434.08	7.36	-35.12
CC(C)COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305106	1	53	-1.0	-42.46	434.13	7.37	-35.09
CC(C)COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305107	0	50	-1.0	-44.30	412.59	6.57	-37.73
CC(C)COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305107	1	50	-1.0	-44.32	412.65	6.60	-37.72
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020305108	0	53	-1.0	-38.43	418.43	8.25	-30.18
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020305108	1	53	-1.0	-38.37	418.49	8.26	-30.11
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020305109	0	50	-1.0	-40.51	392.92	7.70	-32.81
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020305109	1	50	-1.0	-40.55	392.98	7.73	-32.82
COC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020305110	0	50	-1.0	-42.16	400.15	8.16	-34.00
COC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020305110	1	50	-1.0	-42.19	400.21	8.18	-34.01
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020305111	0	47	-1.0	-44.91	379.69	7.44	-37.47
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020305111	1	47	-1.0	-44.90	379.75	7.47	-37.43
CN(CCC1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305112	0	51	-1.0	-38.68	401.10	8.94	-29.74
CN(CCC1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305112	1	51	-1.0	-38.76	401.16	8.96	-29.80
CN(CCC1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305113	0	48	-1.0	-40.33	379.61	8.16	-32.17
CN(CCC1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305113	1	48	-1.0	-40.39	379.67	8.19	-32.20
CN(CCC1CCCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305114	0	55	-1.0	-41.32	418.83	10.98	-30.34
CN(CCC1CCCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305114	1	55	-1.0	-41.31	418.86	10.97	-30.34
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1C	REAL300020305115	0	49	-1.0	-40.03	407.67	7.97	-32.06
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1C	REAL300020305115	1	49	-1.0	-40.03	407.73	7.99	-32.04
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1C	REAL300020305116	0	46	-1.0	-41.36	382.32	7.21	-34.15
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1C	REAL300020305116	1	46	-1.0	-41.39	382.37	7.24	-34.15
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305117	0	49	-1.0	-40.17	397.74	9.55	-30.62
CC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305117	1	49	-1.0	-40.19	397.80	9.57	-30.62
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305118	0	46	-1.0	-42.58	361.57	8.66	-33.92
CC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305118	1	46	-1.0	-42.55	361.63	8.69	-33.86
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020305119	0	49	-1.0	-43.99	405.90	9.78	-34.21
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020305119	1	49	-1.0	-44.06	405.95	9.81	-34.25
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1	REAL300020305120	0	37	-1.0	-46.00	312.21	2.27	-43.73
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1	REAL300020305120	1	37	-1.0	-46.01	312.27	2.28	-43.73
O=C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCN1	REAL300020305121	0	41	-1.0	-48.50	336.93	3.56	-44.94
O=C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCN1	REAL300020305121	1	41	-1.0	-48.49	336.97	3.54	-44.95
CC(C)NC(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305122	0	54	-1.0	-46.59	437.06	3.99	-42.60
CC(C)NC(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305122	1	54	-1.0	-46.61	437.12	4.00	-42.61
CC(C)NC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305123	0	51	-1.0	-50.20	415.42	3.19	-47.01
CC(C)NC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305123	1	51	-1.0	-50.24	415.47	3.21	-47.03
O=C(CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1)NC1CC1	REAL300020305124	0	52	-1.0	-46.53	422.58	3.91	-42.62
O=C(CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1)NC1CC1	REAL300020305124	1	52	-1.0	-46.53	422.64	3.92	-42.61
O=C(CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1)NC1CC1	REAL300020305125	0	49	-1.0	-47.72	404.81	3.25	-44.47
O=C(CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1)NC1CC1	REAL300020305125	1	49	-1.0	-47.70	404.87	3.28	-44.42
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020305126	0	49	-1.0	-44.55	408.02	6.32	-38.23
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020305126	1	49	-1.0	-44.60	408.08	6.34	-38.26
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020305127	0	46	-1.0	-45.04	392.78	5.45	-39.59
CNC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020305127	1	46	-1.0	-45.03	392.84	5.47	-39.56
COCCNC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305128	0	52	-1.0	-48.37	428.30	1.45	-46.92
COCCNC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305128	1	52	-1.0	-48.34	428.34	1.48	-46.86
CCNC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305129	0	48	-1.0	-45.28	393.50	4.91	-40.37
CCNC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305129	1	48	-1.0	-45.24	393.56	4.92	-40.32
CCNC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305130	0	45	-1.0	-47.77	372.13	4.10	-43.67
CCNC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305130	1	45	-1.0	-47.76	372.19	4.13	-43.63
CNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305131	0	46	-1.0	-43.81	380.43	4.46	-39.35
CNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305131	1	46	-1.0	-43.82	380.49	4.48	-39.34
CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305132	0	43	-1.0	-44.66	358.93	3.68	-40.98
CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305132	1	43	-1.0	-44.74	358.99	3.70	-41.04
CNC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305133	0	50	-1.0	-45.70	407.36	6.43	-39.27
CNC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305133	1	50	-1.0	-45.68	407.40	6.43	-39.25
O=C(NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1)C1=CC=CC=C1	REAL300020305134	0	50	-1.0	-47.41	413.61	7.07	-40.34
O=C(NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1)C1=CC=CC=C1	REAL300020305134	1	50	-1.0	-47.43	413.66	7.10	-40.33
CC(C(=O)NC1CC1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305135	0	52	-1.0	-49.87	419.22	3.61	-46.26
CC(C(=O)NC1CC1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305135	1	52	-1.0	-49.87	419.28	3.63	-46.24
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305136	0	45	-1.0	-41.05	377.31	6.93	-34.12
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305136	1	45	-1.0	-41.09	377.37	6.94	-34.15
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305137	0	42	-1.0	-42.27	355.81	6.14	-36.13
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305137	1	42	-1.0	-42.25	355.87	6.17	-36.08
CN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305138	0	47	-1.0	-51.45	402.45	6.76	-44.69
CN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305138	1	47	-1.0	-51.46	402.51	6.77	-44.69
CN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305139	0	44	-1.0	-54.68	380.94	5.97	-48.71
CN(CC1=NC(=O)C2=CC=CC=C2N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305139	1	44	-1.0	-54.66	381.00	6.00	-48.66
CN(CCOC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305140	0	46	-1.0	-41.94	375.94	7.59	-34.35
CN(CCOC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305140	1	46	-1.0	-41.96	376.00	7.60	-34.36
CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305141	0	43	-1.0	-43.61	363.89	6.88	-36.73
CN(CCOC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305141	1	43	-1.0	-43.61	363.95	6.90	-36.71
CCOC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1OC	REAL300020305142	0	50	-1.0	-43.38	416.93	7.29	-36.09
CCOC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1OC	REAL300020305142	1	50	-1.0	-43.40	416.98	7.30	-36.10
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020305143	0	49	-1.0	-40.18	402.91	8.27	-31.91
CCOC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020305143	1	49	-1.0	-40.15	402.97	8.28	-31.87
CCOC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020305144	0	46	-1.0	-41.21	387.68	7.39	-33.82
CCOC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020305144	1	46	-1.0	-41.21	387.74	7.41	-33.80
CN(CC1=CC=CC=C1Br)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305145	0	39	-1.0	-44.82	349.72	7.92	-36.90
CN(CC1=CC=CC=C1Br)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305145	1	39	-1.0	-44.82	349.78	7.95	-36.87
COC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305146	0	46	-1.0	-40.87	387.82	7.33	-33.54
COC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305146	1	46	-1.0	-40.85	387.87	7.35	-33.50
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305147	0	43	-1.0	-42.01	366.31	6.57	-35.44
COC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305147	1	43	-1.0	-42.01	366.25	6.55	-35.46
CCC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020305148	0	48	-1.0	-39.37	394.45	9.48	-29.89
CCC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020305148	1	48	-1.0	-39.39	394.51	9.50	-29.89
CCC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020305149	0	45	-1.0	-40.87	379.28	8.63	-32.24
CCC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020305149	1	45	-1.0	-40.83	379.22	8.61	-32.22
CCC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2=CC=CC=C2O1	REAL300020305150	0	51	-1.0	-40.66	421.56	9.99	-30.67
CCC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2=CC=CC=C2O1	REAL300020305150	1	51	-1.0	-40.64	421.62	10.00	-30.64
CCC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2=CC=CC=C2O1	REAL300020305151	0	48	-1.0	-41.27	395.47	9.31	-31.96
CCC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2=CC=CC=C2O1	REAL300020305151	1	48	-1.0	-41.22	395.52	9.33	-31.89
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020305152	0	53	-1.0	-41.77	431.45	9.47	-32.30
CCN(CC)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020305152	1	53	-1.0	-41.79	431.51	9.49	-32.30
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305153	0	46	-1.0	-40.66	389.04	7.85	-32.81
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305153	1	46	-1.0	-40.70	389.10	7.87	-32.83
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305154	0	43	-1.0	-41.08	370.53	7.16	-33.92
CN(CCOC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305154	1	43	-1.0	-41.10	370.59	7.19	-33.91
CN(CCOC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305155	0	46	-1.0	-42.68	392.67	8.11	-34.57
CN(CCOC1=CC=CC(Cl)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305155	1	46	-1.0	-42.68	392.73	8.12	-34.56
CN(CCOC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305156	0	43	-1.0	-41.98	370.13	7.63	-34.35
CN(CCOC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305156	1	43	-1.0	-42.26	369.38	7.64	-34.62
CN(CCOC1=CC=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305157	0	46	-1.0	-40.47	405.57	8.18	-32.29
CN(CCOC1=CC=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305157	1	46	-1.0	-40.48	405.63	8.19	-32.29
CN(CCOC1=CC=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305158	0	43	-1.0	-43.13	369.43	7.67	-35.46
CN(CCOC1=CC=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305158	1	43	-1.0	-43.38	368.69	7.67	-35.71
CN(CC1=CC=C(N2CCCC2)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305159	0	54	-1.0	-39.30	423.29	8.38	-30.92
CN(CC1=CC=C(N2CCCC2)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305159	1	54	-1.0	-39.30	423.35	8.39	-30.91
CN(CC1=CC=C(N2CCCC2)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305160	0	51	-1.0	-40.52	414.71	7.69	-32.83
CN(CC1=CC=C(N2CCCC2)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305160	1	51	-1.0	-40.55	414.77	7.72	-32.83
CN(CCOC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305161	0	46	-1.0	-41.58	395.74	7.69	-33.89
CN(CCOC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305161	1	46	-1.0	-41.57	395.80	7.71	-33.86
CN(CCOC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305162	0	43	-1.0	-44.58	359.63	7.17	-37.41
CN(CCOC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305162	1	43	-1.0	-44.87	358.88	7.18	-37.69
CC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305163	0	49	-1.0	-40.23	404.90	8.53	-31.70
CC1=CC=CC=C1OCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305163	1	49	-1.0	-40.23	404.96	8.54	-31.69
CC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305164	0	46	-1.0	-41.52	373.47	7.86	-33.66
CC1=CC=CC=C1OCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305164	1	46	-1.0	-41.72	372.73	7.87	-33.85
CN(CC1=CN(CC2=CC=CC=C2)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305165	0	49	-1.0	-46.89	414.74	8.90	-37.99
CN(CC1=CN(CC2=CC=CC=C2)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305165	1	49	-1.0	-46.94	414.68	8.88	-38.06
CS(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305166	0	44	-1.0	-45.05	377.76	2.74	-42.31
CS(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305166	1	44	-1.0	-45.05	377.81	2.75	-42.30
CS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305167	0	41	-1.0	-46.13	356.25	1.95	-44.18
CS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305167	1	41	-1.0	-46.16	356.30	1.98	-44.18
CCN(CC)C(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305168	0	54	-1.0	-47.66	432.71	5.37	-42.29
CCN(CC)C(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305168	1	54	-1.0	-47.65	432.76	5.39	-42.26
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020305169	0	50	-1.0	-42.88	411.44	5.63	-37.25
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020305169	1	50	-1.0	-42.88	411.50	5.65	-37.23
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020305170	0	47	-1.0	-44.97	389.96	4.85	-40.12
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020305170	1	47	-1.0	-44.95	390.02	4.87	-40.08
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020305171	0	51	-1.0	-39.78	408.84	7.74	-32.04
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020305171	1	51	-1.0	-39.78	408.89	7.76	-32.02
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020305172	0	48	-1.0	-41.65	391.07	7.09	-34.56
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020305172	1	48	-1.0	-41.68	391.13	7.11	-34.57
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020305173	0	48	-1.0	-41.97	397.18	5.62	-36.35
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020305173	1	48	-1.0	-41.99	397.24	5.63	-36.36
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020305174	0	45	-1.0	-43.54	375.70	4.84	-38.70
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020305174	1	45	-1.0	-43.59	375.76	4.87	-38.72
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305175	0	43	-1.0	-39.09	350.96	5.39	-33.70
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305175	1	43	-1.0	-39.08	351.02	5.40	-33.68
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305176	0	40	-1.0	-41.65	330.62	4.64	-37.01
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305176	1	40	-1.0	-41.65	330.67	4.66	-36.99
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305177	0	47	-1.0	-41.39	371.43	7.39	-34.00
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305177	1	47	-1.0	-41.40	371.47	7.38	-34.02
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020305178	0	55	0.0	-70.08	440.81	10.55	-59.53
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020305178	1	55	0.0	-70.10	440.86	10.57	-59.53
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020305179	0	52	0.0	-66.81	414.98	9.86	-56.95
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020305179	1	52	0.0	-66.79	414.92	9.85	-56.94
COC(=O)C1=C(C)OC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020305180	0	48	-1.0	-41.21	415.72	7.62	-33.59
COC(=O)C1=C(C)OC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020305180	1	48	-1.0	-41.24	415.78	7.63	-33.61
COC(=O)C1=C(C)OC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020305181	0	45	-1.0	-42.69	394.11	6.86	-35.83
COC(=O)C1=C(C)OC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020305181	1	45	-1.0	-42.77	394.17	6.88	-35.89
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020305182	0	44	-1.0	-40.52	366.81	4.48	-36.04
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020305182	1	44	-1.0	-40.55	366.87	4.49	-36.06
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020305183	0	41	-1.0	-42.16	345.54	3.71	-38.45
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020305183	1	41	-1.0	-42.20	345.60	3.73	-38.47
COCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305184	0	48	-1.0	-40.93	387.22	3.56	-37.37
COCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305184	1	48	-1.0	-40.88	387.27	3.58	-37.30
COCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305184	1	49	0.0	-65.13	388.06	5.88	-59.25
COCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305185	0	45	-1.0	-42.89	369.16	2.88	-40.01
COCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305185	1	45	-1.0	-42.90	369.21	2.91	-39.99
COCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305185	1	46	0.0	-62.56	366.15	5.28	-57.28
CC1=CC=C(CCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020305186	0	55	-1.0	-43.07	440.01	11.35	-31.72
CC1=CC=C(CCC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020305186	1	55	-1.0	-43.03	440.07	11.37	-31.66
COC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305187	0	45	-1.0	-44.27	376.52	7.09	-37.18
COC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305187	1	45	-1.0	-44.29	376.58	7.10	-37.19
COC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305188	0	42	-1.0	-47.67	355.54	6.11	-41.56
COC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305188	1	42	-1.0	-47.63	355.60	6.13	-41.50
CCOCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305189	0	42	-1.0	-41.21	346.87	5.15	-36.06
CCOCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305189	1	42	-1.0	-41.17	346.93	5.17	-36.00
CCOCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305190	0	46	-1.0	-40.99	382.54	7.06	-33.93
CCOCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305190	1	46	-1.0	-40.98	382.58	7.05	-33.93
NC(=O)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305191	0	49	-1.0	-45.04	399.52	4.39	-40.65
NC(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305191	1	49	-1.0	-45.05	399.58	4.40	-40.65
NC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305192	0	46	-1.0	-46.43	378.01	3.60	-42.83
NC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305192	1	46	-1.0	-46.45	378.07	3.63	-42.82
CC(C)OCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305193	0	54	-1.0	-40.69	429.34	5.29	-35.40
CC(C)OCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305193	1	54	-1.0	-40.73	429.40	5.31	-35.42
CC(C)OCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305193	1	55	0.0	-65.21	430.19	7.60	-57.61
CC(C)OCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305194	0	51	-1.0	-42.93	411.29	4.61	-38.32
CC(C)OCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305194	1	51	-1.0	-42.94	411.35	4.63	-38.31
CC(C)OCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305194	1	52	0.0	-62.68	408.21	6.99	-55.69
COCCC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020305195	0	47	-1.0	-39.51	402.50	3.38	-36.13
COCCC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020305195	1	47	-1.0	-39.53	402.56	3.39	-36.14
COCCC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020305196	0	44	-1.0	-39.68	384.69	2.70	-36.98
COCCC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020305196	1	44	-1.0	-39.62	384.68	2.75	-36.87
CN(CCC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305197	0	49	-1.0	-40.59	379.70	6.49	-34.10
CN(CCC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305197	1	49	-1.0	-40.56	379.76	6.51	-34.05
CN(CCC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305198	0	46	-1.0	-40.56	357.09	6.02	-34.54
CN(CCC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305198	1	46	-1.0	-40.58	357.14	6.04	-34.54
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020305199	0	47	-1.0	-39.98	362.87	6.43	-33.55
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020305199	1	47	-1.0	-39.97	362.95	6.45	-33.52
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020305200	0	44	-1.0	-40.85	352.50	5.68	-35.17
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020305200	1	44	-1.0	-40.86	352.56	5.70	-35.16
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020305201	0	51	-1.0	-41.64	389.77	8.50	-33.14
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020305201	1	51	-1.0	-41.32	395.67	8.60	-32.72
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020305202	0	53	0.0	-67.34	409.05	6.74	-60.60
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020305202	1	53	0.0	-67.35	409.11	6.75	-60.60
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020305203	0	50	0.0	-64.23	378.81	5.81	-58.42
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020305203	1	50	0.0	-64.28	378.86	5.83	-58.45
CN(CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305204	0	48	-1.0	-42.72	413.73	7.83	-34.89
CN(CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305204	1	48	-1.0	-42.69	413.78	7.84	-34.85
CN(CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305205	0	45	-1.0	-43.28	392.23	7.04	-36.24
CN(CC1=NN(C2=CC=CC=C2)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305205	1	45	-1.0	-43.33	392.28	7.07	-36.26
COC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305206	0	50	-1.0	-41.91	399.53	8.20	-33.71
COC1=CC=CC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305206	1	50	-1.0	-41.92	399.59	8.22	-33.70
COC1=CC=CC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305207	0	47	-1.0	-42.43	372.47	7.52	-34.91
COC1=CC=CC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305207	1	47	-1.0	-42.50	372.52	7.54	-34.96
CC1=CSC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020305208	0	47	-1.0	-41.43	397.65	5.79	-35.64
CC1=CSC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020305208	1	47	-1.0	-41.38	397.70	5.81	-35.57
CC1=CSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020305209	0	44	-1.0	-42.35	379.87	5.13	-37.22
CC1=CSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020305209	1	44	-1.0	-42.36	379.93	5.16	-37.20
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020305210	0	56	0.0	-70.23	426.80	7.80	-62.43
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020305211	0	53	0.0	-69.64	404.78	7.11	-62.53
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020305211	1	53	0.0	-69.65	404.84	7.14	-62.51
CCCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305212	0	60	0.0	-68.64	455.03	10.31	-58.33
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305212	1	60	0.0	-68.51	458.87	10.44	-58.07
CCCC[N@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305212	1	60	0.0	-68.61	455.09	10.33	-58.28
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305212	1	60	0.0	-68.53	458.93	10.46	-58.07
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305213	0	57	0.0	-67.86	433.30	9.70	-58.16
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305213	1	57	0.0	-67.16	433.02	9.75	-57.41
CCCC[N@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305213	1	57	0.0	-67.89	433.36	9.72	-58.17
CCCC[N@@H+](C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305213	1	57	0.0	-67.17	433.08	9.76	-57.41
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020305214	0	58	0.0	-66.06	423.96	9.62	-56.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020305214	1	58	0.0	-66.08	424.02	9.63	-56.45
CN(CC1=C(Cl)C=CC=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305215	0	42	-1.0	-40.19	372.90	8.32	-31.87
CN(CC1=C(Cl)C=CC=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305215	1	42	-1.0	-40.19	372.96	8.33	-31.86
CN(CC1=C(Cl)C=CC=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305216	0	39	-1.0	-42.48	350.83	7.76	-34.72
CN(CC1=C(Cl)C=CC=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305216	1	39	-1.0	-42.50	350.89	7.78	-34.72
CS(=O)(=O)NCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305217	0	47	-1.0	-48.06	399.05	2.29	-45.77
CS(=O)(=O)NCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305217	1	47	-1.0	-48.05	399.10	2.32	-45.73
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020305218	0	49	0.0	-66.72	405.37	8.93	-57.79
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020305218	1	49	0.0	-66.74	405.43	8.94	-57.80
CC1=CC(C)=NC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020305219	0	49	-1.0	-45.16	406.74	7.23	-37.93
CC1=CC(C)=NC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020305219	1	49	-1.0	-45.17	406.80	7.25	-37.92
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020305220	0	49	-1.0	-40.43	391.43	9.54	-30.89
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020305220	1	49	-1.0	-40.41	391.48	9.56	-30.85
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020305221	0	46	-1.0	-40.95	364.37	8.85	-32.10
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020305221	1	46	-1.0	-40.91	364.43	8.87	-32.04
CN(CCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305222	0	41	-1.0	-53.48	355.28	2.63	-50.85
CN(CCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305222	1	41	-1.0	-53.46	355.33	2.64	-50.82
CN(CCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305223	0	38	-1.0	-53.46	327.39	2.00	-51.46
CN(CCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305223	1	38	-1.0	-53.49	327.45	2.02	-51.47
CN(CCS(C)(=O)=O)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305224	0	45	-1.0	-53.65	390.92	4.53	-49.12
CN(CCS(C)(=O)=O)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305224	1	45	-1.0	-53.62	390.96	4.53	-49.09
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020305225	0	44	-1.0	-41.89	388.14	7.64	-34.25
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020305225	1	44	-1.0	-41.94	388.20	7.67	-34.27
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020305226	0	45	-1.0	-42.75	385.79	7.50	-35.25
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020305226	1	45	-1.0	-42.74	385.85	7.53	-35.21
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1C	REAL300020305227	0	54	-1.0	-39.23	431.96	9.13	-30.10
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1C	REAL300020305227	1	54	-1.0	-39.25	432.01	9.14	-30.11
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1C	REAL300020305228	0	51	-1.0	-41.03	410.19	8.34	-32.69
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1C	REAL300020305228	1	51	-1.0	-41.08	410.25	8.36	-32.72
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC12CCCCC2	REAL300020305229	0	53	-1.0	-46.85	396.04	7.67	-39.18
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC12CCCCC2	REAL300020305229	1	53	-1.0	-46.84	396.10	7.69	-39.15
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305230	0	44	-1.0	-41.36	381.07	7.51	-33.85
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305230	1	44	-1.0	-41.35	381.13	7.52	-33.83
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305231	0	41	-1.0	-42.00	359.57	6.72	-35.28
CN(CC1=NC=NN1CC(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305231	1	41	-1.0	-42.02	359.62	6.75	-35.27
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305232	0	54	-1.0	-40.05	422.80	9.71	-30.34
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305232	1	54	-1.0	-40.08	422.86	9.73	-30.35
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305233	0	51	-1.0	-41.41	407.06	8.89	-32.52
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305233	1	51	-1.0	-41.43	407.11	8.92	-32.51
O=S1(=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC12CCCCC2	REAL300020305234	0	49	-1.0	-45.91	387.21	5.02	-40.89
O=S1(=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC12CCCCC2	REAL300020305234	1	49	-1.0	-45.98	387.26	5.04	-40.94
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020305235	0	48	-1.0	-42.49	385.31	5.16	-37.33
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020305235	1	48	-1.0	-42.46	385.37	5.18	-37.28
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020305236	0	45	-1.0	-44.55	369.22	4.22	-40.33
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020305236	1	45	-1.0	-44.56	369.28	4.24	-40.32
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305237	0	42	-1.0	-39.54	337.72	6.80	-32.74
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305237	1	42	-1.0	-39.54	337.78	6.81	-32.73
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305238	0	46	-1.0	-40.91	366.06	8.78	-32.13
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305238	1	46	-1.0	-40.87	366.08	8.77	-32.10
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020305239	0	43	-1.0	-39.00	351.07	7.15	-31.85
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020305239	1	43	-1.0	-38.97	351.13	7.16	-31.81
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020305240	0	40	-1.0	-42.21	317.35	6.77	-35.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020305240	1	40	-1.0	-42.19	317.41	6.79	-35.40
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020305241	0	47	-1.0	-41.36	372.72	9.43	-31.93
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020305241	1	47	-1.0	-41.32	372.74	9.42	-31.90
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020305242	0	47	-1.0	-43.84	393.47	9.59	-34.25
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020305242	1	47	-1.0	-43.83	393.53	9.61	-34.22
CN(CCOCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305243	0	49	-1.0	-42.45	401.50	8.05	-34.40
CN(CCOCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305243	1	49	-1.0	-42.45	401.56	8.06	-34.39
CN(CCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305244	0	46	-1.0	-42.18	378.95	7.57	-34.61
CN(CCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305244	1	46	-1.0	-42.48	378.21	7.58	-34.90
CN(CC1=CC=CC(Cl)=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305245	0	42	-1.0	-39.69	377.92	8.82	-30.87
CN(CC1=CC=CC(Cl)=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305245	1	42	-1.0	-39.67	377.98	8.84	-30.83
CN(CC1=CC=CC(Cl)=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305246	0	39	-1.0	-40.81	354.57	7.95	-32.86
CN(CC1=CC=CC(Cl)=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305246	1	39	-1.0	-40.82	354.64	7.97	-32.85
OC1(C2=CC=CC=C2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305247	0	50	-1.0	-41.50	404.89	6.72	-34.78
OC1(C2=CC=CC=C2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305247	1	50	-1.0	-41.48	404.94	6.73	-34.75
OC1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305248	0	47	-1.0	-43.98	383.41	5.94	-38.04
OC1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305248	1	47	-1.0	-43.99	383.47	5.96	-38.03
CC1=NOC(C2(C)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020305249	0	50	-1.0	-46.25	405.30	5.73	-40.52
CC1=NOC(C2(C)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020305249	1	50	-1.0	-46.33	405.36	5.74	-40.59
CC1=NOC(C2(C)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020305250	0	47	-1.0	-48.27	386.98	4.83	-43.44
CC1=NOC(C2(C)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020305250	1	47	-1.0	-48.24	387.04	4.86	-43.38
N#CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305251	0	37	-1.0	-42.99	323.06	5.97	-37.02
N#CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305251	1	37	-1.0	-43.02	323.11	5.98	-37.04
N#CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305252	0	34	-1.0	-45.87	295.88	5.27	-40.60
N#CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305252	1	34	-1.0	-45.88	295.93	5.29	-40.59
N#CC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305253	0	41	-1.0	-45.07	351.54	7.93	-37.14
N#CC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305253	1	41	-1.0	-45.07	351.58	7.92	-37.15
CC(C)COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305254	0	49	-1.0	-39.76	385.08	6.81	-32.95
CC(C)COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305254	1	49	-1.0	-39.75	385.13	6.83	-32.92
CC(C)COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305255	0	46	-1.0	-40.40	371.97	6.37	-34.03
CC(C)COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305255	1	46	-1.0	-40.45	372.03	6.39	-34.06
O=C1N(CC(F)F)N=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN12	REAL300020305256	0	43	-1.0	-45.82	370.05	6.31	-39.51
O=C1N(CC(F)F)N=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN12	REAL300020305256	1	43	-1.0	-45.86	370.10	6.33	-39.53
CC(C)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305257	0	54	-1.0	-38.71	418.80	9.73	-28.98
CC(C)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305257	1	54	-1.0	-38.75	418.85	9.75	-29.00
CC(C)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305258	0	51	-1.0	-41.38	397.76	8.95	-32.43
CC(C)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305258	1	51	-1.0	-41.44	397.82	8.98	-32.46
COC1=CC=CC(C=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020305259	0	51	-1.0	-43.66	416.29	8.79	-34.87
COC1=CC=CC(C=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020305259	1	51	-1.0	-43.64	416.34	8.82	-34.82
CC(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305260	0	51	-1.0	-38.47	397.01	8.70	-29.77
CC(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305260	1	51	-1.0	-38.43	397.07	8.72	-29.71
CC(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305261	0	48	-1.0	-41.39	375.88	8.16	-33.23
CC(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305261	1	48	-1.0	-41.42	375.94	8.18	-33.24
CC(C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305262	0	55	-1.0	-40.62	416.74	10.88	-29.74
CC(C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305262	1	55	-1.0	-40.61	416.76	10.87	-29.74
CC(C)OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305263	0	49	-1.0	-38.54	394.12	6.92	-31.62
CC(C)OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305263	1	49	-1.0	-38.55	394.18	6.93	-31.62
CC(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305264	0	46	-1.0	-41.52	373.17	6.37	-35.15
CC(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305264	1	46	-1.0	-41.58	373.23	6.39	-35.19
CN(CC1=COC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305265	0	39	-1.0	-40.08	339.52	5.93	-34.15
CN(CC1=COC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305265	1	39	-1.0	-40.06	339.57	5.95	-34.11
CN(CC1=COC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305266	0	36	-1.0	-42.66	311.31	5.28	-37.38
CN(CC1=COC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305266	1	36	-1.0	-42.66	311.26	5.25	-37.41
CN(CC1=COC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305267	0	43	-1.0	-42.05	360.34	7.99	-34.06
CN(CC1=COC=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305267	1	43	-1.0	-42.06	360.37	7.99	-34.07
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305268	0	51	0.0	-61.10	388.43	7.52	-53.58
CC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305268	1	51	0.0	-61.11	388.49	7.53	-53.58
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305269	0	48	0.0	-57.98	362.55	6.81	-51.17
CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305269	1	48	0.0	-58.04	362.61	6.83	-51.21
CC(C)(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305270	0	55	0.0	-66.27	415.41	9.49	-56.78
CC(C)(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305270	1	55	0.0	-66.18	415.45	9.50	-56.68
CC1=NOC(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)=N1	REAL300020305271	0	47	-1.0	-42.99	394.12	5.65	-37.34
CC1=NOC(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)=N1	REAL300020305271	1	47	-1.0	-43.04	394.18	5.66	-37.38
CC1=NOC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=N1	REAL300020305272	0	44	-1.0	-45.42	373.15	4.67	-40.75
CC1=NOC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=N1	REAL300020305272	1	44	-1.0	-45.42	373.21	4.69	-40.73
CC1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020305273	0	47	-1.0	-41.98	394.13	5.64	-36.34
CC1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020305273	1	47	-1.0	-42.02	394.19	5.66	-36.36
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020305274	0	44	-1.0	-42.83	372.63	4.85	-37.98
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020305274	1	44	-1.0	-42.78	372.69	4.87	-37.91
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020305275	0	47	-1.0	-40.97	395.87	4.66	-36.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020305275	1	47	-1.0	-40.97	395.93	4.68	-36.29
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020305276	0	44	-1.0	-43.11	378.06	4.01	-39.10
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020305276	1	44	-1.0	-43.12	378.12	4.03	-39.09
CN(CCC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305277	0	45	-1.0	-41.60	385.97	8.81	-32.79
CN(CCC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305277	1	45	-1.0	-41.62	386.02	8.83	-32.79
CN(CCC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305278	0	42	-1.0	-42.94	364.40	8.04	-34.90
CN(CCC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305278	1	42	-1.0	-42.94	364.45	8.06	-34.88
CN(CC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305279	0	44	-1.0	-39.20	344.35	7.22	-31.98
CN(CC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305279	1	44	-1.0	-39.23	344.41	7.23	-32.00
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305280	0	48	-1.0	-41.80	374.70	8.48	-33.32
CN(CC(C)(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305280	1	48	-1.0	-41.74	374.61	8.49	-33.25
CN(CC1CCCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305281	0	46	-1.0	-40.82	367.77	6.28	-34.54
CN(CC1CCCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305281	1	46	-1.0	-40.83	367.82	6.29	-34.54
CN(CC1CCCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305282	0	43	-1.0	-41.27	348.43	5.46	-35.81
CN(CC1CCCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305282	1	43	-1.0	-41.29	348.48	5.48	-35.81
CN(CC1CCCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305283	0	50	-1.0	-42.73	391.67	8.19	-34.54
CN(CC1CCCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305283	1	50	-1.0	-42.69	391.70	8.18	-34.51
OC1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305284	0	43	-1.0	-40.71	364.78	4.13	-36.58
OC1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305284	1	43	-1.0	-40.75	364.83	4.15	-36.60
OC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305285	0	40	-1.0	-41.96	343.09	3.36	-38.60
OC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305285	1	40	-1.0	-41.97	343.15	3.38	-38.59
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305286	0	46	-1.0	-47.72	392.70	4.67	-43.05
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305286	1	46	-1.0	-47.67	392.76	4.68	-42.99
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305287	0	43	-1.0	-47.84	367.45	3.97	-43.87
CN(CC1=CC=CC(C(N)=O)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305287	1	43	-1.0	-47.82	367.40	3.95	-43.87
CCCCCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305288	0	56	-1.0	-39.31	442.12	10.54	-28.77
CCCCCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305288	1	56	-1.0	-39.30	442.18	10.56	-28.74
CCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305289	0	53	-1.0	-39.41	414.25	9.91	-29.50
CCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305289	1	53	-1.0	-39.45	414.30	9.93	-29.52
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=CO1	REAL300020305290	0	42	-1.0	-40.23	346.72	6.70	-33.53
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=CO1	REAL300020305290	1	42	-1.0	-40.22	346.77	6.71	-33.51
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=CO1	REAL300020305291	0	39	-1.0	-42.41	333.01	6.10	-36.31
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=CO1	REAL300020305291	1	39	-1.0	-42.44	332.95	6.07	-36.37
CC1=C(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C=CO1	REAL300020305292	0	46	-1.0	-41.96	381.21	8.80	-33.16
CC1=C(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C=CO1	REAL300020305292	1	46	-1.0	-41.95	381.24	8.79	-33.16
CC(C)(C)OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305293	0	52	-1.0	-38.74	406.43	7.47	-31.27
CC(C)(C)OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305293	1	52	-1.0	-38.78	406.49	7.48	-31.30
CC(C)(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305294	0	49	-1.0	-41.50	387.08	6.75	-34.75
CC(C)(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305294	1	49	-1.0	-41.50	387.14	6.78	-34.72
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305295	0	54	-1.0	-38.74	434.36	10.22	-28.52
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305295	1	54	-1.0	-38.71	434.42	10.23	-28.48
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305296	0	51	-1.0	-40.69	412.53	9.48	-31.21
CN(CC1=CC=C(C(C)(C)C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305296	1	51	-1.0	-40.68	412.59	9.51	-31.17
CN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305297	0	42	-1.0	-39.43	357.97	8.11	-31.32
CN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305297	1	42	-1.0	-39.44	358.02	8.12	-31.32
CN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305298	0	39	-1.0	-40.17	342.79	7.25	-32.92
CN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305298	1	39	-1.0	-40.13	342.74	7.23	-32.90
CN(CC1=CC=CC(F)=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305299	0	46	-1.0	-41.48	381.79	10.02	-31.46
CN(CC1=CC=CC(F)=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305299	1	46	-1.0	-41.49	381.81	10.01	-31.48
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305300	0	45	-1.0	-39.31	372.55	8.78	-30.53
CC1=CC=CC=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305300	1	45	-1.0	-39.30	372.61	8.79	-30.51
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305301	0	42	-1.0	-42.36	349.02	7.92	-34.44
CC1=CC=CC=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305301	1	42	-1.0	-42.38	348.96	7.89	-34.49
CC1=CC=CC=C1CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305302	0	49	-1.0	-41.12	397.33	10.59	-30.53
CC1=CC=CC=C1CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305302	1	49	-1.0	-41.06	397.35	10.58	-30.48
CN(CC1=CC=C(OC(F)F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305303	0	46	-1.0	-42.69	390.81	7.62	-35.07
CN(CC1=CC=C(OC(F)F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305303	1	46	-1.0	-42.65	390.86	7.64	-35.01
CN(CC1=CC=C(OC(F)F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305304	0	43	-1.0	-43.76	375.58	6.74	-37.02
CN(CC1=CC=C(OC(F)F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305304	1	43	-1.0	-43.80	375.64	6.77	-37.03
CC(C)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020305305	0	51	-1.0	-38.68	418.39	9.82	-28.86
CC(C)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020305305	1	51	-1.0	-38.64	418.44	9.84	-28.80
CC(C)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020305306	0	48	-1.0	-40.62	396.56	9.09	-31.53
CC(C)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020305306	1	48	-1.0	-40.65	396.61	9.12	-31.53
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2C)=C1	REAL300020305307	0	54	-1.0	-39.36	430.68	8.57	-30.79
CC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2C)=C1	REAL300020305307	1	54	-1.0	-39.34	430.74	8.59	-30.75
CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2C)=C1	REAL300020305308	0	51	-1.0	-41.09	413.60	7.73	-33.36
CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2C)=C1	REAL300020305308	1	51	-1.0	-41.10	413.66	7.74	-33.36
CN(CC1=CC=C(Br)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305309	0	39	-1.0	-39.74	357.63	7.79	-31.95
CN(CC1=CC=C(Br)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305309	1	39	-1.0	-39.76	357.68	7.81	-31.95
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305310	0	42	-1.0	-39.11	368.29	8.56	-30.55
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305310	1	42	-1.0	-39.11	368.35	8.58	-30.53
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305311	0	39	-1.0	-39.84	353.06	7.68	-32.16
CN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305311	1	39	-1.0	-39.86	353.11	7.71	-32.15
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305312	0	50	-1.0	-41.51	406.80	8.58	-32.93
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305312	1	50	-1.0	-41.56	406.86	8.60	-32.96
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305313	0	47	-1.0	-44.28	384.94	7.95	-36.33
CN(CCN(C)C1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305313	1	47	-1.0	-44.31	384.99	7.96	-36.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020305314	0	53	0.0	-67.88	420.69	10.09	-57.79
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020305314	1	53	0.0	-67.87	420.76	10.12	-57.75
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C	REAL300020305315	0	48	0.0	-62.33	375.58	7.49	-54.84
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C	REAL300020305315	1	48	0.0	-63.61	362.74	7.32	-56.29
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1C	REAL300020305315	1	47	-1.0	-38.98	361.73	4.71	-34.27
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C	REAL300020305315	1	47	-1.0	-39.03	361.79	4.73	-34.30
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C	REAL300020305316	0	45	0.0	-58.82	347.98	6.71	-52.11
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C	REAL300020305316	1	45	0.0	-58.77	342.34	6.80	-51.97
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C	REAL300020305316	1	45	0.0	-58.77	347.77	6.69	-52.08
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C	REAL300020305316	1	45	0.0	-58.78	342.28	6.79	-51.99
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C	REAL300020305316	1	44	-1.0	-41.48	348.47	4.41	-37.07
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C	REAL300020305316	1	44	-1.0	-41.46	348.53	4.44	-37.02
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1C	REAL300020305317	0	52	0.0	-67.73	402.23	9.45	-58.28
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1C	REAL300020305317	1	52	0.0	-68.35	399.75	9.43	-58.92
CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1C	REAL300020305317	1	51	-1.0	-40.16	401.67	6.93	-33.23
O=C1CCCN1C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305318	0	50	-1.0	-48.23	398.81	6.98	-41.25
O=C1CCCN1C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305318	1	50	-1.0	-48.23	398.87	7.00	-41.23
O=C1CCCN1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305319	0	47	-1.0	-50.38	376.97	6.38	-44.00
O=C1CCCN1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305319	1	47	-1.0	-50.37	377.03	6.39	-43.98
CN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305320	0	46	-1.0	-41.01	366.73	6.24	-34.77
CN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305320	1	46	-1.0	-41.02	366.78	6.25	-34.77
CN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305321	0	43	-1.0	-40.77	336.85	5.63	-35.14
CN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305321	1	43	-1.0	-40.76	336.90	5.64	-35.12
CN(CC1CCOCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305322	0	50	-1.0	-43.18	389.65	8.17	-35.01
CN(CC1CCOCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305322	1	50	-1.0	-43.17	389.67	8.16	-35.01
C=C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305323	0	40	-1.0	-38.76	335.34	6.73	-32.03
C=C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305323	1	40	-1.0	-38.79	335.40	6.74	-32.05
C=C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305324	0	44	-1.0	-40.55	358.94	8.88	-31.67
C=C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305324	1	44	-1.0	-40.54	358.97	8.87	-31.67
CCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305325	0	44	-1.0	-39.27	345.83	7.25	-32.02
CCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305325	1	44	-1.0	-39.24	345.88	7.27	-31.97
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305326	0	48	-1.0	-40.00	386.77	9.32	-30.68
CCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305326	1	48	-1.0	-39.95	386.82	9.31	-30.64
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020305327	0	43	-1.0	-42.04	360.41	7.22	-34.82
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020305327	1	43	-1.0	-41.99	360.47	7.24	-34.75
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020305328	0	40	-1.0	-44.21	336.15	6.51	-37.70
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020305328	1	40	-1.0	-44.17	336.22	6.54	-37.63
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020305329	0	47	-1.0	-42.98	373.92	8.42	-34.56
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020305329	1	47	-1.0	-42.96	373.94	8.41	-34.55
O=C(C1=CC=CS1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305330	0	45	-1.0	-44.56	387.33	8.23	-36.33
O=C(C1=CC=CS1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305330	1	45	-1.0	-44.53	387.39	8.24	-36.29
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1C(=O)OC(C)(C)C	REAL300020305331	0	53	-1.0	-42.33	418.45	6.66	-35.67
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1C(=O)OC(C)(C)C	REAL300020305331	1	53	-1.0	-42.37	418.51	6.68	-35.69
C[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1C(=O)OC(C)(C)C	REAL300020305332	0	53	-1.0	-42.78	403.99	6.12	-36.66
C[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1C(=O)OC(C)(C)C	REAL300020305332	1	53	-1.0	-42.80	404.04	6.16	-36.64
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020305333	0	46	-1.0	-41.31	390.44	9.72	-31.59
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020305333	1	46	-1.0	-41.30	390.50	9.74	-31.56
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1C(=O)OC(C)(C)C	REAL300020305334	0	53	-1.0	-42.36	418.40	6.64	-35.72
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1C(=O)OC(C)(C)C	REAL300020305334	1	53	-1.0	-42.37	418.46	6.67	-35.70
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020305335	0	46	-1.0	-41.83	377.06	8.93	-32.90
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020305335	1	46	-1.0	-41.84	377.12	8.95	-32.89
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020305336	0	43	-1.0	-44.31	356.60	8.21	-36.10
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020305336	1	43	-1.0	-44.31	356.65	8.24	-36.07
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020305337	0	46	-1.0	-40.06	386.25	9.13	-30.93
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020305337	1	46	-1.0	-40.10	386.30	9.15	-30.95
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020305338	0	43	-1.0	-41.79	360.28	8.45	-33.34
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020305338	1	43	-1.0	-41.82	360.34	8.47	-33.35
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020305339	0	50	-1.0	-42.48	403.20	8.50	-33.98
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020305339	1	50	-1.0	-42.49	403.25	8.52	-33.97
CC(C)(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305340	0	51	-1.0	-38.40	387.79	8.16	-30.24
CC(C)(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305340	1	51	-1.0	-38.42	387.85	8.18	-30.24
CC(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305341	0	48	-1.0	-40.63	369.98	7.50	-33.13
CC(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305341	1	48	-1.0	-40.59	370.03	7.53	-33.06
CC(C)(C)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305342	0	55	-1.0	-40.31	415.26	10.46	-29.85
CC(C)(C)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305342	1	55	-1.0	-40.28	415.29	10.45	-29.83
CC1=CC=C(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020305343	0	55	-1.0	-40.12	438.71	11.05	-29.07
CC1=CC=C(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020305343	1	55	-1.0	-40.10	438.76	11.07	-29.03
CC1=CC=C(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020305344	0	52	-1.0	-41.87	416.76	10.45	-31.42
CC1=CC=C(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020305344	1	52	-1.0	-41.92	416.81	10.47	-31.45
CN(CC1=NC2=C(CCCC2)S1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305345	0	48	-1.0	-39.94	401.49	8.08	-31.86
CN(CC1=NC2=C(CCCC2)S1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305345	1	48	-1.0	-39.90	401.54	8.09	-31.81
CN(CC1=NC2=C(CCCC2)S1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305346	0	45	-1.0	-41.26	386.36	7.09	-34.17
CN(CC1=NC2=C(CCCC2)S1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305346	1	45	-1.0	-41.29	386.41	7.11	-34.18
CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305347	0	43	-1.0	-41.26	345.97	8.26	-33.00
CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305347	1	43	-1.0	-41.23	346.00	8.25	-32.98
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020305348	0	46	-1.0	-39.85	350.11	7.54	-32.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020305348	1	46	-1.0	-39.85	350.17	7.56	-32.29
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020305349	0	43	-1.0	-40.80	327.98	7.00	-33.80
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020305349	1	43	-1.0	-40.79	328.03	7.03	-33.76
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020305350	0	50	-1.0	-41.24	382.59	9.67	-31.57
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020305350	1	50	-1.0	-41.25	382.61	9.66	-31.59
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305351	0	55	0.0	-68.49	439.87	10.26	-58.23
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305351	1	55	0.0	-64.21	437.74	10.29	-53.92
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305351	1	55	0.0	-68.46	439.93	10.28	-58.18
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305351	1	55	0.0	-64.23	437.80	10.32	-53.91
COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305352	0	46	-1.0	-38.96	372.78	5.86	-33.10
COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305352	1	46	-1.0	-38.96	372.84	5.88	-33.08
COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305353	0	43	-1.0	-40.86	354.99	5.21	-35.65
COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305353	1	43	-1.0	-40.83	355.05	5.23	-35.60
COCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305354	0	50	-1.0	-40.37	404.80	7.97	-32.40
COCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305354	1	50	-1.0	-40.37	404.85	7.96	-32.41
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)S2)C1	REAL300020305355	0	41	-1.0	-42.26	365.14	6.13	-36.13
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)S2)C1	REAL300020305355	1	41	-1.0	-42.26	365.20	6.15	-36.11
CN(CC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305356	0	45	-1.0	-47.84	397.03	4.69	-43.15
CN(CC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305356	1	45	-1.0	-47.86	397.09	4.71	-43.15
CC1=CC=CC(NC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020305357	0	54	-1.0	-39.70	433.06	8.67	-31.03
CC1=CC=CC(NC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020305357	1	54	-1.0	-39.72	433.11	8.68	-31.04
CC1=CC=CC(NC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020305358	0	51	-1.0	-40.97	410.61	8.26	-32.71
CC1=CC=CC(NC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020305358	1	51	-1.0	-41.02	410.67	8.28	-32.74
CC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020305359	0	49	-1.0	-44.68	386.34	6.61	-38.07
CC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020305359	1	49	-1.0	-44.69	386.40	6.62	-38.07
CC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020305360	0	46	-1.0	-45.33	364.07	5.84	-39.49
CC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020305360	1	46	-1.0	-45.36	364.12	5.85	-39.51
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020305361	0	51	-1.0	-41.32	411.10	8.75	-32.57
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020305361	1	51	-1.0	-41.26	411.16	8.76	-32.50
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020305362	0	48	-1.0	-42.03	389.04	8.17	-33.86
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020305362	1	48	-1.0	-42.08	389.10	8.19	-33.89
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305363	0	42	-1.0	-52.34	363.29	3.04	-49.30
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305363	1	42	-1.0	-52.34	363.35	3.06	-49.28
CS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305364	0	39	-1.0	-53.62	341.80	2.27	-51.35
CS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305364	1	39	-1.0	-53.57	341.86	2.28	-51.29
CC1(C#N)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305365	0	43	-1.0	-42.45	360.74	7.08	-35.37
CC1(C#N)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305365	1	43	-1.0	-42.44	360.80	7.10	-35.34
CC1(C#N)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305366	0	40	-1.0	-44.28	339.24	6.30	-37.98
CC1(C#N)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305366	1	40	-1.0	-44.38	339.30	6.32	-38.06
CC1(C#N)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305367	0	47	-1.0	-45.24	383.02	9.22	-36.02
CC1(C#N)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305367	1	47	-1.0	-45.16	383.06	9.21	-35.95
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020305368	0	44	-1.0	-39.51	359.13	6.02	-33.49
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020305368	1	44	-1.0	-39.54	359.19	6.03	-33.51
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020305369	0	41	-1.0	-40.90	338.21	4.99	-35.91
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020305369	1	41	-1.0	-40.86	338.26	5.01	-35.85
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020305370	0	48	-1.0	-41.13	382.75	7.80	-33.33
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020305370	1	48	-1.0	-41.06	382.80	7.80	-33.26
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020305371	0	46	-1.0	-40.86	387.97	6.79	-34.07
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020305371	1	46	-1.0	-40.81	387.91	6.77	-34.04
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020305372	0	43	-1.0	-42.61	370.20	6.14	-36.47
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020305372	1	43	-1.0	-42.64	370.14	6.11	-36.53
CCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305373	0	46	-1.0	-39.30	367.53	6.13	-33.17
CCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305373	1	46	-1.0	-39.31	367.58	6.14	-33.17
CCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305374	0	43	-1.0	-41.08	346.02	5.34	-35.74
CCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305374	1	43	-1.0	-41.07	346.08	5.37	-35.70
CCC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020305375	0	50	-1.0	-41.23	389.79	8.27	-32.96
CCC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020305375	1	50	-1.0	-41.19	389.83	8.27	-32.92
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305376	0	45	-1.0	-49.28	377.76	3.72	-45.56
CS(=O)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305376	1	45	-1.0	-49.26	377.82	3.74	-45.52
CS(=O)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305377	0	42	-1.0	-52.79	357.42	2.97	-49.82
CS(=O)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305377	1	42	-1.0	-52.82	357.47	3.00	-49.82
CC(C)OCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305378	0	50	-1.0	-40.28	406.13	5.68	-34.60
CC(C)OCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305378	1	50	-1.0	-40.30	406.19	5.69	-34.61
CC(C)OCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305379	0	47	-1.0	-42.53	385.52	4.93	-37.60
CC(C)OCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305379	1	47	-1.0	-42.55	385.58	4.95	-37.60
CCC1=NSC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020305380	0	46	-1.0	-42.28	397.14	5.35	-36.93
CCC1=NSC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020305380	1	46	-1.0	-42.35	397.19	5.37	-36.98
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305381	0	44	-1.0	-52.86	376.74	3.51	-49.35
CCS(=O)(=O)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305381	1	44	-1.0	-52.89	376.80	3.53	-49.36
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305382	0	41	-1.0	-52.96	348.86	2.88	-50.08
CCS(=O)(=O)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305382	1	41	-1.0	-52.98	348.91	2.91	-50.07
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020305383	0	44	-1.0	-41.94	360.28	5.55	-36.39
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020305383	1	44	-1.0	-41.91	360.34	5.56	-36.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020305384	0	41	-1.0	-44.18	338.49	4.76	-39.42
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020305384	1	41	-1.0	-44.21	338.55	4.78	-39.43
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020305385	0	48	-1.0	-43.16	388.68	7.57	-35.59
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020305385	1	48	-1.0	-43.15	388.72	7.56	-35.59
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CN(CC1=CC2=CC=CC=C2N1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305393	0	46	-1.0	-40.21	390.89	8.07	-32.14
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COCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305396	0	50	-1.0	-48.01	410.87	3.71	-44.30
COCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305396	1	50	-1.0	-48.06	410.93	3.72	-44.34
CC(C)(C)OC(=O)N[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305397	0	53	-1.0	-41.63	417.66	5.39	-36.24
CC(C)(C)OC(=O)N[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305397	1	53	-1.0	-41.59	417.72	5.40	-36.19
CC(C)(C)OC(=O)N[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305398	0	50	-1.0	-44.94	406.61	4.62	-40.32
CC(C)(C)OC(=O)N[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305398	1	50	-1.0	-44.95	406.67	4.64	-40.31
CCC(C)NC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305399	0	54	-1.0	-50.06	436.05	4.15	-45.91
CCC(C)NC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305399	1	54	-1.0	-50.10	436.11	4.17	-45.93
CCNC(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305400	0	51	-1.0	-46.63	416.43	3.17	-43.46
CCNC(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305400	1	51	-1.0	-46.64	416.49	3.19	-43.45
CCNC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305401	0	48	-1.0	-50.16	394.79	2.37	-47.79
CCNC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305401	1	48	-1.0	-50.18	394.84	2.40	-47.78
CCCCCNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305402	0	55	-1.0	-47.41	441.77	6.94	-40.47
CCCCCNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305402	1	55	-1.0	-47.45	441.83	6.96	-40.49
CC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305403	0	46	-1.0	-43.05	381.75	4.81	-38.24
CC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305403	1	46	-1.0	-43.08	381.81	4.82	-38.26
CC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305404	0	43	-1.0	-44.40	360.78	3.84	-40.56
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CCOC(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305406	0	50	-1.0	-41.58	411.53	4.88	-36.70
CCOC(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305406	1	50	-1.0	-41.65	411.58	4.90	-36.75
CCOC(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305407	0	47	-1.0	-42.73	393.73	4.23	-38.50
CCOC(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305407	1	47	-1.0	-42.76	393.79	4.25	-38.51
CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305408	0	45	-1.0	-40.96	367.77	8.72	-32.24
CN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305408	1	45	-1.0	-40.97	367.83	8.73	-32.24
CN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305409	0	42	-1.0	-41.13	345.22	8.27	-32.86
CN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305409	1	42	-1.0	-41.14	345.16	8.25	-32.89
CN(CCC1=CC=CC=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305410	0	49	-1.0	-42.52	403.46	10.92	-31.60
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CC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1C	REAL300020305413	1	54	-1.0	-39.83	425.83	8.29	-31.54
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1C	REAL300020305414	0	51	-1.0	-41.82	408.06	7.62	-34.20
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1C	REAL300020305414	1	51	-1.0	-41.82	408.12	7.65	-34.17
N#CC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305415	0	49	-1.0	-45.96	406.35	8.00	-37.96
N#CC1=CC=CC=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305415	1	49	-1.0	-45.94	406.40	8.02	-37.92
N#CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305416	0	46	-1.0	-47.72	389.91	7.37	-40.35
N#CC1=CC=CC=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305416	1	46	-1.0	-47.73	389.97	7.40	-40.33
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020305417	0	52	0.0	-63.86	399.40	8.53	-55.33
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020305417	1	52	0.0	-63.87	399.45	8.54	-55.33
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020305418	0	49	0.0	-61.69	380.22	7.88	-53.81
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020305418	1	49	0.0	-61.69	380.28	7.91	-53.78
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020305419	0	58	0.0	-67.06	436.01	10.03	-57.03
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020305419	1	58	0.0	-67.06	436.07	10.04	-57.02
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020305420	0	55	0.0	-65.44	418.31	9.27	-56.17
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020305420	1	55	0.0	-65.44	418.37	9.30	-56.14
CC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305421	0	48	0.0	-62.70	372.51	7.18	-55.52
CC(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305421	1	47	-1.0	-38.75	369.81	4.96	-33.79
CC(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305421	1	47	-1.0	-38.75	369.87	4.97	-33.78
CC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305422	0	45	0.0	-60.21	350.53	6.59	-53.62
CC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305422	1	45	0.0	-60.18	350.48	6.58	-53.60
CC(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305422	1	44	-1.0	-40.77	349.04	4.10	-36.67
CC(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305422	1	44	-1.0	-40.78	349.10	4.13	-36.65
CC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305423	0	52	0.0	-68.13	399.21	9.04	-59.09
CC(C)N1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305423	1	51	-1.0	-40.14	398.92	6.88	-33.26
COCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305424	0	43	-1.0	-41.06	360.69	6.08	-34.98
COCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305424	1	43	-1.0	-41.02	360.73	6.07	-34.95
CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305425	0	45	-1.0	-39.56	355.95	6.50	-33.06
CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305425	1	45	-1.0	-39.56	356.01	6.51	-33.05
CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305426	0	42	-1.0	-42.35	332.23	5.82	-36.53
CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305426	1	42	-1.0	-42.30	332.17	5.79	-36.51
CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305427	0	49	-1.0	-40.90	386.02	8.59	-32.31
CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305427	1	49	-1.0	-40.89	386.05	8.58	-32.31
CN(CC1=CC=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305428	0	41	-1.0	-40.71	353.63	6.39	-34.32
CN(CC1=CC=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305428	1	41	-1.0	-40.73	353.68	6.40	-34.33
CN(CC1=CC=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305429	0	38	-1.0	-42.32	332.18	5.63	-36.69
CN(CC1=CC=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305429	1	38	-1.0	-42.28	332.13	5.60	-36.68
CN(CC1=CC=CC=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305430	0	45	-1.0	-42.27	376.19	8.58	-33.69
CN(CC1=CC=CC=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305430	1	45	-1.0	-42.25	376.24	8.57	-33.68
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020305431	0	42	-1.0	-39.25	332.61	6.61	-32.64
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020305431	1	42	-1.0	-39.28	332.67	6.63	-32.65
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCC1	REAL300020305432	0	46	-1.0	-40.62	361.14	8.61	-32.01
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCC1	REAL300020305432	1	46	-1.0	-40.59	361.18	8.60	-31.99
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305433	0	45	-1.0	-41.27	365.77	8.61	-32.66
CC(C1=CC=CC=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305433	1	45	-1.0	-41.29	365.83	8.62	-32.67
CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305434	0	42	-1.0	-41.52	354.56	7.36	-34.16
CC(C1=CC=CC=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305434	1	42	-1.0	-41.50	354.50	7.33	-34.17
CC(C1=CC=CC=C1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305435	0	49	-1.0	-41.02	392.60	10.76	-30.26
CC(C1=CC=CC=C1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305435	1	49	-1.0	-41.04	392.64	10.74	-30.30
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1=CC=CC=C1	REAL300020305436	0	39	-1.0	-41.80	331.77	8.30	-33.50
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1=CC=CC=C1	REAL300020305436	1	39	-1.0	-41.73	331.83	8.32	-33.41
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1=CC=CC=C1	REAL300020305437	0	36	-1.0	-44.74	293.18	8.75	-35.99
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1=CC=CC=C1	REAL300020305437	1	36	-1.0	-44.75	293.12	8.74	-36.01
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1=CC=CC=C1	REAL300020305438	0	43	-1.0	-42.88	363.03	10.34	-32.54
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1=CC=CC=C1	REAL300020305438	1	43	-1.0	-42.85	363.07	10.33	-32.52
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FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOCC1	REAL300020305440	0	44	-1.0	-41.31	349.68	6.74	-34.57
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOCC1	REAL300020305440	1	44	-1.0	-41.29	349.73	6.73	-34.56
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COC1=CC=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020305441	1	40	-1.0	-43.45	342.89	7.82	-35.63
COC1=CC=C(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020305442	0	37	-1.0	-45.96	322.00	7.02	-38.94
COC1=CC=C(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020305442	1	37	-1.0	-46.00	321.94	7.00	-39.00
COC1=CC=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C=C1	REAL300020305443	0	44	-1.0	-44.45	371.68	9.74	-34.71
COC1=CC=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C=C1	REAL300020305443	1	44	-1.0	-44.52	371.64	9.75	-34.77
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCSC1	REAL300020305444	0	40	-1.0	-40.40	327.94	6.38	-34.02
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCSC1	REAL300020305444	1	40	-1.0	-40.41	328.00	6.40	-34.01
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCSC1	REAL300020305445	0	37	-1.0	-39.38	317.35	5.05	-34.33
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCSC1	REAL300020305445	1	37	-1.0	-39.40	317.40	5.08	-34.32
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCSC1	REAL300020305446	0	44	-1.0	-41.01	365.39	8.47	-32.54
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCSC1	REAL300020305446	1	44	-1.0	-40.99	365.42	8.47	-32.52
CN(CC1COC2=CC=CC=C2O1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305447	0	48	-1.0	-42.34	390.37	7.22	-35.12
CN(CC1COC2=CC=CC=C2O1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305447	1	48	-1.0	-42.39	390.42	7.24	-35.15
CN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305448	0	45	-1.0	-42.11	367.02	6.73	-35.38
CN(CC1COC2=CC=CC=C2O1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305448	1	45	-1.0	-42.15	367.07	6.75	-35.40
CCNC(=O)N[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1OC	REAL300020305449	0	52	-1.0	-45.17	431.44	2.51	-42.66
CCNC(=O)N[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1OC	REAL300020305449	1	52	-1.0	-45.15	431.50	2.53	-42.62
CCNC(=O)N[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1OC	REAL300020305450	0	49	-1.0	-46.34	406.13	1.88	-44.46
CCNC(=O)N[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1OC	REAL300020305450	1	49	-1.0	-46.37	406.19	1.89	-44.48
CC(C)(C)CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305451	0	60	0.0	-56.61	414.56	9.15	-47.46
CC(C)(C)CC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305451	1	60	0.0	-56.64	414.62	9.16	-47.48
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305452	0	51	0.0	-62.42	390.18	7.93	-54.49
CCC(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305452	1	51	0.0	-62.47	390.23	7.94	-54.53
CCC(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305453	0	48	0.0	-59.48	365.03	7.15	-52.33
CCC(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305453	1	48	0.0	-59.52	365.08	7.17	-52.35
CCC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305454	0	55	0.0	-68.97	408.56	9.90	-59.07
CCC(C)[NH+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305454	1	55	0.0	-68.94	408.59	9.89	-59.05
COC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C12CCC2	REAL300020305455	0	50	-1.0	-41.35	389.91	7.06	-34.29
COC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C12CCC2	REAL300020305455	1	50	-1.0	-41.35	389.97	7.08	-34.27
COC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C12CCC2	REAL300020305456	0	47	-1.0	-40.64	377.15	6.31	-34.33
COC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C12CCC2	REAL300020305456	1	47	-1.0	-40.70	377.21	6.35	-34.35
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020305457	0	56	0.0	-69.97	431.25	7.55	-62.42
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020305457	1	55	-1.0	-42.46	424.09	5.50	-36.96
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020305457	1	55	-1.0	-42.48	424.15	5.52	-36.96
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020305458	0	55	0.0	-68.28	415.60	9.81	-58.47
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020305458	1	55	0.0	-65.08	416.76	10.44	-54.64
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020305458	1	55	0.0	-68.35	415.65	9.84	-58.51
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020305458	1	55	0.0	-65.08	416.81	10.45	-54.63
O=S1(=O)CCC2(C1)CCCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020305459	0	49	-1.0	-48.11	398.76	5.16	-42.95
O=S1(=O)CCC2(C1)CCCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020305459	1	49	-1.0	-48.10	398.81	5.17	-42.93
O=S1(=O)CCC2(C1)CCCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020305460	0	46	-1.0	-48.52	363.07	3.37	-45.15
O=S1(=O)CCC2(C1)CCCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020305460	1	46	-1.0	-48.51	363.13	3.40	-45.11
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020305461	0	49	-1.0	-39.31	382.16	9.65	-29.66
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020305461	1	49	-1.0	-39.31	382.22	9.66	-29.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020305462	0	46	-1.0	-41.02	362.55	9.49	-31.53
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020305462	1	46	-1.0	-41.08	362.60	9.51	-31.57
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020305463	0	48	-1.0	-39.05	360.77	8.16	-30.89
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020305463	1	48	-1.0	-39.11	360.83	8.18	-30.93
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020305464	0	45	-1.0	-41.14	345.88	7.71	-33.43
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020305464	1	45	-1.0	-41.15	345.94	7.74	-33.41
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020305465	0	52	-1.0	-40.49	388.98	10.14	-30.35
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020305465	1	52	-1.0	-40.41	389.02	10.12	-30.29
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020305466	0	47	-1.0	-42.62	381.10	6.95	-35.67
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020305466	1	47	-1.0	-42.62	381.16	6.97	-35.65
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020305467	0	44	-1.0	-46.06	356.44	5.96	-40.10
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020305467	1	44	-1.0	-46.09	356.39	5.94	-40.15
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020305468	0	50	-1.0	-40.18	401.53	8.25	-31.93
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020305468	1	50	-1.0	-40.18	401.59	8.27	-31.91
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020305469	0	47	-1.0	-42.17	368.32	8.55	-33.62
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020305469	1	47	-1.0	-42.19	368.38	8.58	-33.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020305470	0	44	-1.0	-39.38	345.49	5.36	-34.02
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020305470	1	44	-1.0	-39.38	345.55	5.37	-34.01
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020305471	0	41	-1.0	-42.35	338.03	5.02	-37.33
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CC2)C1	REAL300020305471	1	41	-1.0	-42.35	338.09	5.05	-37.30
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020305472	0	48	-1.0	-41.62	387.13	7.77	-33.85
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC2(CC2)C1	REAL300020305472	1	48	-1.0	-41.60	387.14	7.77	-33.83
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[N@@H+](C2CCC2)C1	REAL300020305473	0	55	0.0	-65.71	401.50	8.80	-56.91
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[N@H+](C2CCC2)C1	REAL300020305473	1	55	0.0	-65.26	416.46	9.74	-55.52
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+](C2CCC2)C1	REAL300020305473	1	55	0.0	-65.72	401.57	8.81	-56.91
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+](C2CCC2)C1	REAL300020305473	1	55	0.0	-65.19	416.52	9.75	-55.44
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+](C2CCC2)C1	REAL300020305474	0	52	0.0	-59.57	390.51	8.29	-51.28
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+](C2CCC2)C1	REAL300020305474	1	52	0.0	-63.85	398.66	8.73	-55.12
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+](C2CCC2)C1	REAL300020305474	1	52	0.0	-59.56	390.56	8.30	-51.26
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+](C2CCC2)C1	REAL300020305474	1	52	0.0	-63.86	398.71	8.76	-55.10
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020305475	0	50	-1.0	-38.92	394.67	7.15	-31.77
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020305475	1	50	-1.0	-38.92	394.73	7.17	-31.75
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020305476	0	47	-1.0	-39.81	366.78	6.51	-33.30
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C2CCC2)C1	REAL300020305476	1	47	-1.0	-39.81	366.86	6.52	-33.29
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2=CC=CC=C2O1	REAL300020305477	0	47	-1.0	-39.89	390.17	7.86	-32.03
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2=CC=CC=C2O1	REAL300020305477	1	47	-1.0	-39.88	390.23	7.87	-32.01
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2=CC=CC=C2O1	REAL300020305478	0	44	-1.0	-42.26	368.64	7.10	-35.16
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2=CC=CC=C2O1	REAL300020305478	1	44	-1.0	-42.26	368.58	7.08	-35.18
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020305479	0	51	-1.0	-39.96	415.02	7.28	-32.68
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020305479	1	52	0.0	-68.51	414.66	9.58	-58.93
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020305479	1	51	-1.0	-39.96	415.08	7.29	-32.67
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020305480	0	48	-1.0	-41.87	394.45	6.67	-35.20
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020305480	1	49	0.0	-66.46	392.31	8.93	-57.53
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020305480	1	48	-1.0	-41.90	394.50	6.70	-35.20
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020305481	0	47	-1.0	-39.24	350.75	6.00	-33.24
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020305481	1	47	-1.0	-39.22	350.81	6.02	-33.20
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020305482	0	44	-1.0	-40.74	345.11	5.88	-34.86
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020305482	1	44	-1.0	-40.74	345.16	5.89	-34.85
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020305483	0	51	-1.0	-41.10	397.75	8.98	-32.12
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC2(CCC2)C1	REAL300020305483	1	51	-1.0	-41.03	397.79	8.97	-32.06
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305484	0	51	0.0	-62.00	384.69	8.16	-53.84
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305484	1	51	0.0	-62.03	383.79	7.94	-54.09
CC(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305484	1	51	0.0	-62.03	384.74	8.17	-53.86
CC(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305484	1	51	0.0	-62.02	383.85	7.95	-54.07
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305485	0	48	0.0	-60.77	362.58	7.31	-53.46
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305485	1	48	0.0	-57.38	346.22	6.94	-50.44
CC(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305485	1	48	0.0	-60.78	362.63	7.33	-53.45
CC(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305485	1	48	0.0	-57.36	346.28	6.97	-50.39
CC(C)[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305486	0	55	0.0	-67.37	411.52	10.21	-57.16
CC(C)[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305486	1	55	0.0	-67.24	409.97	10.21	-57.03
CC(C)[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305486	1	55	0.0	-67.41	411.54	10.20	-57.21
CC(C)[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305486	1	55	0.0	-67.34	409.99	10.20	-57.14
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305487	0	54	0.0	-62.63	389.30	8.61	-54.02
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305487	1	54	0.0	-61.56	387.65	7.88	-53.68
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305487	1	54	0.0	-62.66	389.36	8.63	-54.03
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305487	1	54	0.0	-61.63	387.70	7.89	-53.74
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305488	0	51	0.0	-60.12	361.99	7.93	-52.19
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305488	1	51	0.0	-61.35	366.14	7.09	-54.26
CC(C)(C)[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305488	1	51	0.0	-60.10	362.05	7.96	-52.14
CC(C)(C)[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305488	1	51	0.0	-61.40	366.20	7.12	-54.28
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020305489	0	56	0.0	-68.03	417.45	7.49	-60.54
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020305489	1	56	0.0	-68.18	420.51	7.45	-60.73
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020305489	1	56	0.0	-68.02	417.50	7.50	-60.52
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020305489	1	56	0.0	-68.17	420.57	7.46	-60.71
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020305490	0	53	0.0	-65.10	399.25	6.77	-58.33
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020305490	1	53	0.0	-67.20	395.67	6.62	-60.58
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](C2CCOCC2)CC1	REAL300020305490	1	53	0.0	-65.12	399.30	6.79	-58.33
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](C2CCOCC2)CC1	REAL300020305490	1	53	0.0	-67.23	395.72	6.63	-60.60
CON(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305491	0	37	-1.0	-40.58	309.87	7.05	-33.53
CON(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305491	1	37	-1.0	-40.57	309.91	7.04	-33.53
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020305492	0	55	-1.0	-39.31	410.38	8.64	-30.67
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020305492	1	55	-1.0	-39.34	410.44	8.65	-30.69
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020305493	0	52	-1.0	-43.96	394.62	9.34	-34.62
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCCC1	REAL300020305493	1	52	-1.0	-43.95	394.68	9.36	-34.59
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCCO1	REAL300020305494	0	43	-1.0	-40.08	346.52	5.33	-34.75
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCCO1	REAL300020305494	1	43	-1.0	-40.14	346.58	5.34	-34.80
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCCO1	REAL300020305495	0	40	-1.0	-40.94	319.32	4.84	-36.10
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCCO1	REAL300020305495	1	40	-1.0	-40.93	319.37	4.85	-36.08
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCCO1	REAL300020305496	0	47	-1.0	-40.32	375.68	7.35	-32.97
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCCO1	REAL300020305496	1	47	-1.0	-40.37	375.68	7.34	-33.03
CCC1C(=O)NCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305497	0	43	-1.0	-43.80	352.77	3.56	-40.24
CCC1C(=O)NCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305497	1	43	-1.0	-43.81	352.83	3.57	-40.24
CCC1C(=O)NCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305498	0	40	-1.0	-42.86	328.49	3.13	-39.73
CCC1C(=O)NCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305498	1	40	-1.0	-42.84	328.43	3.11	-39.73
CCC1C(=O)NCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305499	0	47	-1.0	-45.22	379.14	5.48	-39.74
CCC1C(=O)NCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305499	1	47	-1.0	-45.23	379.16	5.47	-39.76
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305500	0	43	-1.0	-48.23	344.20	3.08	-45.15
CNC(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305500	1	43	-1.0	-48.24	344.26	3.10	-45.14
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305501	0	40	-1.0	-56.36	331.46	2.78	-53.58
CNC(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305501	1	40	-1.0	-56.37	331.40	2.76	-53.61
CNC(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305502	0	47	-1.0	-49.81	377.22	5.25	-44.56
CNC(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305502	1	47	-1.0	-49.83	377.26	5.24	-44.59
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020305503	0	53	-1.0	-40.33	400.10	9.22	-31.11
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020305503	1	53	-1.0	-40.32	400.16	9.24	-31.08
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020305504	0	50	-1.0	-43.63	382.36	9.58	-34.05
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2CCCC21	REAL300020305504	1	50	-1.0	-43.62	382.42	9.60	-34.02
COC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305505	0	40	-1.0	-40.93	329.80	3.88	-37.05
COC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305505	1	40	-1.0	-40.94	329.86	3.89	-37.05
COC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305506	0	44	-1.0	-42.19	362.88	6.00	-36.19
COC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305506	1	44	-1.0	-42.11	362.92	6.00	-36.11
CC1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305507	0	42	-1.0	-39.54	333.25	5.82	-33.72
CC1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305507	1	42	-1.0	-39.52	333.31	5.83	-33.69
CC1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305508	0	46	-1.0	-40.66	361.68	7.85	-32.81
CC1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305508	1	46	-1.0	-40.64	361.71	7.84	-32.80
CCC1CC(C)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305509	0	45	-1.0	-40.19	351.19	6.85	-33.34
CCC1CC(C)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305509	1	45	-1.0	-40.19	351.24	6.87	-33.32
CCC1CC(C)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305510	0	42	-1.0	-42.32	332.16	5.77	-36.55
CCC1CC(C)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305510	1	42	-1.0	-42.29	332.21	5.79	-36.50
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305511	0	49	-1.0	-41.51	378.81	8.83	-32.68
CCC1CC(C)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305511	1	49	-1.0	-41.46	378.84	8.82	-32.64
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305512	0	40	-1.0	-39.54	325.93	4.53	-35.01
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305512	1	40	-1.0	-39.54	325.98	4.55	-34.99
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020305513	0	44	-1.0	-41.40	360.78	6.81	-34.59
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020305513	1	44	-1.0	-41.38	360.81	6.79	-34.59
CC(C)CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305514	0	51	-1.0	-39.85	397.23	7.84	-32.01
CC(C)CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305514	1	51	-1.0	-39.84	397.28	7.86	-31.98
CC(C)CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305515	0	48	-1.0	-43.21	370.50	7.09	-36.12
CC(C)CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305515	1	48	-1.0	-43.21	370.56	7.10	-36.11
CC(C)CC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305516	0	55	-1.0	-41.19	398.02	10.48	-30.71
CC(C)CC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305516	1	55	-1.0	-41.21	398.04	10.48	-30.73
CCCC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305517	0	51	-1.0	-39.61	378.45	7.67	-31.94
CCCC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305517	1	51	-1.0	-39.65	378.51	7.69	-31.96
CCCC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305518	0	48	-1.0	-40.85	372.07	6.94	-33.91
CCCC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305518	1	48	-1.0	-40.84	372.13	6.96	-33.88
CCCC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305519	0	55	-1.0	-40.49	409.79	9.72	-30.77
CCCC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305519	1	55	-1.0	-40.42	409.83	9.72	-30.70
COC1=CC=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020305520	0	40	-1.0	-45.86	338.67	7.65	-38.21
COC1=CC=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020305520	1	40	-1.0	-45.84	338.61	7.64	-38.20
COC1=CC=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020305521	0	37	-1.0	-49.01	322.04	7.03	-41.98
COC1=CC=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020305521	1	37	-1.0	-49.00	321.98	7.00	-42.00
COC1=CC=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=C1	REAL300020305522	0	44	-1.0	-47.13	371.42	9.75	-37.38
COC1=CC=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=C1	REAL300020305522	1	44	-1.0	-47.14	371.38	9.76	-37.38
CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020305523	0	36	-1.0	-43.87	316.08	7.40	-36.47
CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020305523	1	36	-1.0	-43.84	316.03	7.39	-36.45
CN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=N1	REAL300020305524	0	40	-1.0	-45.44	344.53	9.34	-36.10
CN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=N1	REAL300020305524	1	40	-1.0	-45.45	344.46	9.35	-36.10
CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=N1	REAL300020305525	0	36	-1.0	-46.94	311.56	6.28	-40.66
CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=N1	REAL300020305525	1	36	-1.0	-46.95	311.50	6.27	-40.68
CN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C=N1	REAL300020305526	0	40	-1.0	-48.52	344.73	8.37	-40.15
CN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C=N1	REAL300020305526	1	40	-1.0	-48.57	344.77	8.38	-40.19
CC(C)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305527	0	45	-1.0	-39.60	337.96	6.22	-33.38
CC(C)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305527	1	45	-1.0	-39.60	338.02	6.23	-33.37
CC(C)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305528	0	42	-1.0	-41.36	316.17	5.61	-35.75
CC(C)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305528	1	42	-1.0	-41.38	316.22	5.63	-35.75
CC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305529	0	49	-1.0	-40.33	371.54	7.98	-32.35
CC(C)C1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305529	1	49	-1.0	-40.33	371.57	7.97	-32.36
COC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020305530	0	46	-1.0	-46.76	382.02	8.21	-38.55
COC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020305530	1	46	-1.0	-46.78	382.07	8.23	-38.55
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020305531	0	56	-1.0	-38.40	433.45	8.97	-29.43
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020305531	1	56	-1.0	-38.45	433.50	8.99	-29.46
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020305532	0	53	-1.0	-39.13	413.60	8.26	-30.87
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020305532	1	53	-1.0	-39.16	413.66	8.27	-30.89
CC(C)(C)OC(=O)C1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305533	0	54	-1.0	-42.63	424.93	8.77	-33.86
CC(C)(C)OC(=O)C1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305533	1	54	-1.0	-42.61	424.98	8.79	-33.82
CC(C)(C)OC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305534	0	51	-1.0	-42.79	403.42	7.99	-34.80
CC(C)(C)OC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305534	1	51	-1.0	-42.76	403.48	8.01	-34.75
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300020305535	0	51	-1.0	-43.15	404.24	8.34	-34.81
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCC1=CC=CC=C12	REAL300020305535	1	51	-1.0	-43.13	404.30	8.36	-34.77
O=C1CO[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@H]2N1	REAL300020305536	0	45	-1.0	-43.27	366.73	2.54	-40.73
O=C1CO[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@H]2N1	REAL300020305536	1	45	-1.0	-43.24	366.78	2.55	-40.69
O=C1CO[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]2N1	REAL300020305537	0	42	-1.0	-45.35	345.23	1.75	-43.60
O=C1CO[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]2N1	REAL300020305537	1	42	-1.0	-45.36	345.29	1.78	-43.58
COCCN(CC1=C(C)N(C)N=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305538	0	52	-1.0	-46.24	417.00	4.91	-41.33
COCCN(CC1=C(C)N(C)N=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305538	1	52	-1.0	-46.20	417.06	4.93	-41.27
CON1CCC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305539	0	48	-1.0	-40.79	387.66	4.54	-36.25
CON1CCC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305539	1	48	-1.0	-40.77	387.71	4.55	-36.22
CON1CCC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305540	0	45	-1.0	-42.63	344.86	3.78	-38.85
CON1CCC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305540	1	45	-1.0	-42.65	344.91	3.80	-38.85
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305541	0	51	-1.0	-42.77	419.82	7.87	-34.90
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305541	1	51	-1.0	-42.75	419.76	7.86	-34.89
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305542	0	48	-1.0	-45.37	390.74	6.36	-39.01
CC(C)CN(CC1=CN(C)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305542	1	48	-1.0	-45.31	390.68	6.34	-38.97
CCC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020305543	0	45	-1.0	-41.07	370.73	9.61	-31.46
CCC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020305543	1	45	-1.0	-41.04	370.79	9.62	-31.42
CCC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020305544	0	42	-1.0	-41.10	349.52	9.10	-32.00
CCC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020305544	1	42	-1.0	-41.06	349.47	9.09	-31.97
CCC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=C1	REAL300020305545	0	49	-1.0	-42.38	403.13	11.70	-30.68
CCC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=C1	REAL300020305545	1	49	-1.0	-42.39	403.15	11.69	-30.70
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020305546	0	46	-1.0	-39.57	354.05	7.77	-31.80
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020305546	1	46	-1.0	-39.55	354.10	7.79	-31.76
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020305547	0	43	-1.0	-40.13	326.99	7.09	-33.04
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020305547	1	43	-1.0	-40.14	327.05	7.11	-33.03
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020305548	0	50	-1.0	-41.33	381.48	9.60	-31.73
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020305548	1	50	-1.0	-41.32	381.51	9.59	-31.73
COC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305549	0	43	-1.0	-42.81	343.22	5.00	-37.81
COC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305549	1	43	-1.0	-42.85	343.27	5.01	-37.84
COC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305550	0	40	-1.0	-43.40	327.61	4.01	-39.39
COC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305550	1	40	-1.0	-43.41	327.67	4.04	-39.37
COC1(C)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305551	0	47	-1.0	-44.08	371.57	6.95	-37.13
COC1(C)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305551	1	47	-1.0	-44.10	371.61	6.94	-37.16
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020305552	0	40	-1.0	-40.58	338.26	7.51	-33.07
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020305552	1	40	-1.0	-40.60	338.32	7.52	-33.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020305553	0	37	-1.0	-42.16	326.57	6.51	-35.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020305553	1	37	-1.0	-42.20	326.51	6.49	-35.71
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020305554	0	44	-1.0	-41.94	371.43	9.63	-32.31
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020305554	1	44	-1.0	-41.96	371.45	9.62	-32.34
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020305555	0	40	-1.0	-41.43	338.91	6.97	-34.46
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020305555	1	40	-1.0	-41.46	338.97	6.99	-34.47
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020305556	0	37	-1.0	-43.34	316.02	7.08	-36.26
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020305556	1	37	-1.0	-43.34	316.08	7.10	-36.24
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020305557	0	44	-1.0	-43.29	363.55	9.13	-34.16
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020305557	1	44	-1.0	-43.26	363.59	9.12	-34.14
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC(C)(C)C1	REAL300020305558	0	45	-1.0	-39.28	365.80	7.47	-31.81
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC(C)(C)C1	REAL300020305558	1	45	-1.0	-39.27	365.85	7.48	-31.79
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC(C)(C)C1	REAL300020305559	0	42	-1.0	-40.87	344.27	6.67	-34.20
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC(C)(C)C1	REAL300020305559	1	42	-1.0	-40.91	344.33	6.70	-34.21
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CC(C)(C)C1	REAL300020305560	0	49	-1.0	-40.57	392.50	9.37	-31.20
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CC(C)(C)C1	REAL300020305560	1	49	-1.0	-40.55	392.54	9.36	-31.19
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020305561	0	43	-1.0	-41.27	374.71	8.80	-32.47
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020305561	1	43	-1.0	-41.27	374.77	8.81	-32.46
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020305562	0	40	-1.0	-44.51	342.67	7.05	-37.46
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020305562	1	40	-1.0	-44.56	342.72	7.08	-37.48
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020305563	0	51	-1.0	-40.08	406.07	5.75	-34.33
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020305563	1	51	-1.0	-40.09	406.13	5.76	-34.33
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020305564	0	48	-1.0	-42.44	385.73	5.00	-37.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020305564	1	48	-1.0	-42.45	385.79	5.02	-37.43
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020305565	0	44	-1.0	-40.78	350.66	5.17	-35.61
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020305565	1	44	-1.0	-40.81	350.72	5.19	-35.62
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020305566	0	41	-1.0	-44.19	333.83	4.91	-39.28
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020305566	1	41	-1.0	-44.18	333.89	4.93	-39.25
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020305567	0	48	-1.0	-42.36	382.95	7.97	-34.39
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020305567	1	48	-1.0	-42.36	382.97	7.96	-34.40
NC(=O)CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020305568	0	44	-1.0	-56.61	368.50	0.76	-55.85
NC(=O)CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020305568	1	44	-1.0	-56.66	368.56	0.77	-55.89
NC(=O)CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020305569	0	41	-1.0	-49.64	350.22	1.00	-48.64
NC(=O)CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020305569	1	41	-1.0	-49.69	350.28	1.02	-48.67
CC1C(CO)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305570	0	46	-1.0	-39.69	359.84	3.95	-35.74
CC1C(CO)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305570	1	46	-1.0	-39.66	359.89	3.96	-35.70
CC1C(CO)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305571	0	43	-1.0	-41.70	343.94	2.37	-39.33
CC1C(CO)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305571	1	43	-1.0	-41.71	344.00	2.40	-39.31
CC1C(CO)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305572	0	50	-1.0	-41.95	377.19	5.88	-36.07
CC1C(CO)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305572	1	50	-1.0	-41.95	377.21	5.87	-36.08
CC(=O)C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020305573	0	45	-1.0	-45.38	377.93	8.00	-37.38
CC(=O)C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020305573	1	45	-1.0	-45.33	377.99	8.01	-37.32
CC(=O)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020305574	0	42	-1.0	-46.17	355.88	7.18	-38.99
CC(=O)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020305574	1	42	-1.0	-46.16	355.83	7.16	-39.00
CC(C)(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1(C)C	REAL300020305575	0	57	-1.0	-39.12	415.59	8.50	-30.62
CC(C)(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1(C)C	REAL300020305575	1	57	-1.0	-39.10	415.65	8.52	-30.58
CC(C)(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1(C)C	REAL300020305576	0	54	-1.0	-40.59	395.53	8.15	-32.44
CC(C)(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1(C)C	REAL300020305576	1	54	-1.0	-40.64	395.59	8.17	-32.47
CC(C)OCCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305577	0	56	-1.0	-40.34	452.87	7.25	-33.09
CC(C)OCCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305577	1	56	-1.0	-40.37	452.93	7.27	-33.10
CC(C)OCCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305578	0	53	-1.0	-43.32	428.22	6.58	-36.74
CC(C)OCCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305578	1	53	-1.0	-43.36	428.28	6.60	-36.76
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC(C)(C)C1	REAL300020305579	0	48	-1.0	-39.21	371.44	7.92	-31.29
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC(C)(C)C1	REAL300020305579	1	48	-1.0	-39.22	371.49	7.93	-31.29
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC(C)(C)C1	REAL300020305580	0	45	-1.0	-41.82	364.27	7.18	-34.64
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC(C)(C)C1	REAL300020305580	1	45	-1.0	-41.88	364.33	7.20	-34.68
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CC(C)(C)C1	REAL300020305581	0	52	-1.0	-40.81	412.17	9.56	-31.25
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CC(C)(C)C1	REAL300020305581	1	52	-1.0	-40.84	412.22	9.55	-31.29
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020305582	0	47	-1.0	-39.90	379.68	8.88	-31.02
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020305582	1	47	-1.0	-39.90	379.74	8.89	-31.01
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020305583	0	44	-1.0	-41.89	360.76	8.20	-33.69
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020305583	1	44	-1.0	-41.91	360.82	8.22	-33.69
COC1=CC=CC([C@H]2C[C@H](N(C)C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=C1	REAL300020305584	0	50	-1.0	-42.21	388.78	8.25	-33.96
COC1=CC=CC([C@H]2C[C@H](N(C)C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=C1	REAL300020305584	1	50	-1.0	-42.23	388.83	8.26	-33.97
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020305585	0	47	-1.0	-42.76	388.64	7.89	-34.87
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020305585	1	47	-1.0	-42.73	388.69	7.91	-34.82
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020305586	0	44	-1.0	-42.70	363.80	6.98	-35.72
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020305586	1	44	-1.0	-42.69	363.86	7.00	-35.69
O=S1(=O)CCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305587	0	48	-1.0	-51.26	397.20	3.66	-47.60
O=S1(=O)CCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305587	1	48	-1.0	-51.22	397.26	3.68	-47.54
O=C1CC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)OC2=CC=CC=C12	REAL300020305588	0	47	-1.0	-44.84	390.46	7.24	-37.60
O=C1CC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)OC2=CC=CC=C12	REAL300020305588	1	47	-1.0	-44.84	390.53	7.27	-37.57
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020305589	0	53	-1.0	-39.98	408.64	10.19	-29.79
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020305589	1	53	-1.0	-40.05	408.69	10.20	-29.85
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020305590	0	50	-1.0	-41.82	389.21	9.80	-32.02
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020305590	1	50	-1.0	-41.86	389.27	9.83	-32.03
CC(C1CC1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305591	0	42	-1.0	-38.32	338.13	6.97	-31.35
CC(C1CC1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305591	1	42	-1.0	-38.33	338.19	6.99	-31.34
CC(C1CC1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305592	0	46	-1.0	-40.68	370.40	8.95	-31.73
CC(C1CC1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305592	1	46	-1.0	-40.67	370.44	8.94	-31.73
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020305593	0	40	-1.0	-40.60	336.96	4.85	-35.75
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020305593	1	40	-1.0	-40.63	337.01	4.87	-35.76
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020305594	0	37	-1.0	-41.18	319.88	3.99	-37.19
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020305594	1	37	-1.0	-41.18	319.94	4.01	-37.17
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020305595	0	44	-1.0	-42.84	353.75	6.24	-36.60
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020305595	1	44	-1.0	-42.81	353.79	6.24	-36.57
COCC(COC)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305596	0	55	-1.0	-42.16	432.42	4.55	-37.61
COCC(COC)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305596	1	55	-1.0	-42.21	432.47	4.56	-37.65
COCC(COC)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305596	1	56	0.0	-64.56	433.80	6.79	-57.77
COCC(COC)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305597	0	52	-1.0	-44.45	414.64	3.90	-40.55
COCC(COC)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305597	1	52	-1.0	-44.48	414.70	3.92	-40.56
COCC(COC)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305597	1	53	0.0	-62.06	411.82	6.21	-55.85
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020305598	0	55	0.0	-65.99	430.48	10.35	-55.64
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020305598	1	55	0.0	-65.97	426.71	10.23	-55.74
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1CC1=CC=CC=C1	REAL300020305598	1	54	-1.0	-39.94	429.01	7.89	-32.05
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1CC1=CC=CC=C1	REAL300020305598	1	54	-1.0	-39.98	429.07	7.91	-32.07
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020305599	0	52	0.0	-64.21	409.00	9.57	-54.64
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020305599	1	52	0.0	-63.57	409.96	9.53	-54.04
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1CC1=CC=CC=C1	REAL300020305599	1	51	-1.0	-42.56	407.74	7.34	-35.22
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1CC1=CC=CC=C1	REAL300020305599	1	51	-1.0	-42.57	407.80	7.37	-35.20
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305600	0	49	-1.0	-41.28	398.79	10.40	-30.88
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305600	1	49	-1.0	-41.26	398.85	10.41	-30.85
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305601	0	46	-1.0	-44.80	360.86	8.09	-36.71
CC1=CC(F)=CC=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305601	1	46	-1.0	-44.78	360.92	8.11	-36.67
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCN(CC(F)(F)F)CC1	REAL300020305602	0	47	-1.0	-39.99	378.61	5.42	-34.57
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCN(CC(F)(F)F)CC1	REAL300020305602	1	47	-1.0	-40.01	378.66	5.45	-34.56
O=C1CCCN1C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305603	0	53	-1.0	-47.26	404.85	7.89	-39.37
O=C1CCCN1C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305603	1	53	-1.0	-47.24	404.91	7.90	-39.34
O=C1CCCN1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305604	0	50	-1.0	-55.32	381.10	6.87	-48.45
O=C1CCCN1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305604	1	50	-1.0	-55.28	381.16	6.89	-48.39
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020305605	0	46	-1.0	-38.86	371.75	8.16	-30.70
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020305605	1	46	-1.0	-38.86	371.81	8.18	-30.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020305606	0	43	-1.0	-40.89	345.70	7.59	-33.30
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020305606	1	43	-1.0	-40.83	345.94	7.53	-33.30
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020305607	0	50	-1.0	-40.55	396.86	10.11	-30.44
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020305607	1	50	-1.0	-40.56	396.90	10.10	-30.46
CC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1C	REAL300020305608	0	48	-1.0	-39.28	396.52	9.13	-30.15
CC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1C	REAL300020305608	1	48	-1.0	-39.32	396.57	9.15	-30.17
CC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1C	REAL300020305609	0	45	-1.0	-41.29	374.80	8.39	-32.90
CC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1C	REAL300020305609	1	45	-1.0	-41.24	374.75	8.37	-32.87
CNC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305610	0	48	-1.0	-46.97	397.42	3.30	-43.67
CNC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305610	1	48	-1.0	-47.00	397.47	3.31	-43.69
CNC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305611	0	45	-1.0	-47.81	372.78	2.62	-45.19
CNC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305611	1	45	-1.0	-47.78	372.83	2.65	-45.13
CCOC1=CC=CC(CN(CCO)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020305612	0	50	-1.0	-44.24	402.18	4.41	-39.83
CCOC1=CC=CC(CN(CCO)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020305612	1	50	-1.0	-44.26	402.24	4.43	-39.83
CC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020305613	0	44	-1.0	-40.84	375.24	6.98	-33.86
CC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020305613	1	44	-1.0	-40.79	375.30	7.00	-33.79
CC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020305614	0	41	-1.0	-43.24	353.70	6.27	-36.97
CC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020305614	1	41	-1.0	-43.26	353.65	6.24	-37.02
CC1=CC=CC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=N1	REAL300020305615	0	48	-1.0	-42.21	403.35	9.03	-33.18
CC1=CC=CC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=N1	REAL300020305615	1	48	-1.0	-42.15	403.41	9.02	-33.13
CC(C)(C)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305616	0	51	-1.0	-39.53	386.20	8.30	-31.23
CC(C)(C)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305616	1	51	-1.0	-39.55	386.25	8.32	-31.23
CC(C)(C)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305617	0	48	-1.0	-41.87	361.10	7.76	-34.11
CC(C)(C)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305617	1	48	-1.0	-41.91	361.15	7.79	-34.12
CC(C)(C)CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305618	0	55	-1.0	-40.82	417.67	10.35	-30.47
CC(C)(C)CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305618	1	55	-1.0	-40.89	417.70	10.34	-30.55
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1Cl	REAL300020305619	0	46	-1.0	-42.02	397.08	7.89	-34.13
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1Cl	REAL300020305619	1	46	-1.0	-42.05	397.14	7.91	-34.14
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1Cl	REAL300020305620	0	43	-1.0	-42.91	381.85	7.01	-35.90
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1Cl	REAL300020305620	1	43	-1.0	-42.91	381.92	7.04	-35.87
COC(=O)C1(C)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305621	0	48	-1.0	-45.38	389.70	7.76	-37.62
COC(=O)C1(C)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305621	1	48	-1.0	-45.43	389.76	7.78	-37.65
COC(=O)C1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305622	0	45	-1.0	-44.04	367.24	6.92	-37.12
COC(=O)C1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305622	1	45	-1.0	-44.08	367.30	6.94	-37.14
COCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305623	0	45	-1.0	-41.33	368.31	5.71	-35.62
COCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305623	1	45	-1.0	-41.37	368.36	5.72	-35.65
COCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305624	0	42	-1.0	-41.41	340.43	5.08	-36.33
COCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305624	1	42	-1.0	-41.40	340.48	5.10	-36.30
COCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305625	0	49	-1.0	-42.09	403.95	7.61	-34.48
COCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305625	1	49	-1.0	-42.07	403.99	7.60	-34.47
CC1CC(C(=O)OC(C)(C)C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305626	0	54	-1.0	-42.45	422.71	8.88	-33.57
CC1CC(C(=O)OC(C)(C)C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305626	1	54	-1.0	-42.47	422.76	8.90	-33.57
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020305627	0	50	-1.0	-38.49	400.52	7.54	-30.95
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020305627	1	50	-1.0	-38.43	400.58	7.55	-30.88
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020305628	0	47	-1.0	-39.62	378.57	6.94	-32.68
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020305628	1	47	-1.0	-39.67	378.62	6.95	-32.72
COC1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305629	0	46	-1.0	-39.76	381.81	6.11	-33.65
COC1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305629	1	46	-1.0	-39.77	381.86	6.12	-33.65
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305630	0	43	-1.0	-41.25	360.15	5.31	-35.94
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305630	1	43	-1.0	-41.24	360.21	5.34	-35.90
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCC1C(C)(C)C	REAL300020305631	0	54	-1.0	-39.37	375.28	9.69	-29.68
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCC1C(C)(C)C	REAL300020305631	1	54	-1.0	-39.39	375.33	9.71	-29.68
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCC1C(C)(C)C	REAL300020305632	0	51	-1.0	-44.22	357.59	9.07	-35.15
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCCC1C(C)(C)C	REAL300020305632	1	51	-1.0	-44.28	357.64	9.09	-35.19
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C(C)C1C	REAL300020305633	0	45	-1.0	-39.12	353.26	7.00	-32.12
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C(C)C1C	REAL300020305633	1	45	-1.0	-39.16	353.32	7.01	-32.15
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C(C)C1C	REAL300020305634	0	42	-1.0	-41.52	339.47	6.51	-35.01
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C(C)C1C	REAL300020305634	1	42	-1.0	-41.55	339.54	6.54	-35.01
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C(C)C1C	REAL300020305635	0	49	-1.0	-40.34	385.64	9.12	-31.22
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C(C)C1C	REAL300020305635	1	49	-1.0	-40.35	385.68	9.10	-31.25
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020305636	0	45	-1.0	-39.25	373.82	7.72	-31.53
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020305636	1	45	-1.0	-39.27	373.88	7.73	-31.54
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020305637	0	42	-1.0	-41.29	356.02	7.07	-34.22
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020305637	1	42	-1.0	-41.30	356.08	7.09	-34.21
CCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(CC)O1	REAL300020305638	0	49	-1.0	-38.69	389.12	7.03	-31.66
CCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(CC)O1	REAL300020305638	1	49	-1.0	-38.66	389.18	7.04	-31.62
CCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(CC)O1	REAL300020305639	0	46	-1.0	-40.60	371.40	6.37	-34.23
CCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(CC)O1	REAL300020305639	1	46	-1.0	-40.62	371.46	6.39	-34.23
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305640	0	49	-1.0	-41.02	405.79	6.56	-34.46
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305640	1	49	-1.0	-41.02	405.85	6.57	-34.45
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305641	0	46	-1.0	-43.65	396.45	5.82	-37.83
CN(CC(=O)NCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305641	1	46	-1.0	-43.63	396.51	5.84	-37.79
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020305642	0	46	-1.0	-41.65	370.53	8.14	-33.51
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020305642	1	46	-1.0	-41.66	370.58	8.16	-33.50
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020305643	0	43	-1.0	-44.02	349.99	7.33	-36.69
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020305643	1	43	-1.0	-44.00	349.93	7.31	-36.69
CC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305644	0	43	-1.0	-46.43	348.09	3.71	-42.72
CC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305644	1	43	-1.0	-46.42	348.15	3.73	-42.69
CC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305645	0	40	-1.0	-48.99	334.68	3.28	-45.71
CC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305645	1	40	-1.0	-49.01	334.74	3.30	-45.71
CC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305646	0	47	-1.0	-47.81	384.66	6.02	-41.79
CC(=O)NC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305646	1	47	-1.0	-47.73	384.69	6.01	-41.72
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020305647	0	49	-1.0	-39.58	382.17	8.63	-30.95
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020305647	1	49	-1.0	-39.60	382.23	8.65	-30.95
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020305648	0	46	-1.0	-41.97	354.47	8.12	-33.85
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020305648	1	46	-1.0	-41.97	354.52	8.15	-33.82
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020305649	0	53	-1.0	-41.09	409.68	10.77	-30.32
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020305649	1	53	-1.0	-41.09	409.72	10.76	-30.33
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2=CC=CC=C21	REAL300020305650	0	43	-1.0	-43.29	346.48	10.53	-32.76
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2=CC=CC=C21	REAL300020305650	1	43	-1.0	-43.30	346.53	10.54	-32.76
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2=CC=CC=C21	REAL300020305651	0	40	-1.0	-45.53	324.78	9.94	-35.59
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2=CC=CC=C21	REAL300020305651	1	40	-1.0	-45.58	324.72	9.93	-35.65
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C2=CC=CC=C21	REAL300020305652	0	47	-1.0	-44.58	378.97	12.66	-31.92
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C2=CC=CC=C21	REAL300020305652	1	47	-1.0	-44.56	379.01	12.65	-31.91
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305653	0	52	-1.0	-40.74	428.56	8.98	-31.76
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305653	1	52	-1.0	-40.76	428.62	9.00	-31.76
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305654	0	49	-1.0	-43.00	407.06	8.18	-34.82
CCN(CCOC1=CC=CC=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305654	1	49	-1.0	-43.01	407.12	8.20	-34.81
COCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305655	0	55	0.0	-62.48	416.41	6.60	-55.88
COCC(C)(C)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305655	1	54	-1.0	-39.06	414.58	4.48	-34.58
COCC(C)(C)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305655	1	54	-1.0	-39.04	414.63	4.49	-34.55
COCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305656	0	52	0.0	-59.34	394.21	6.02	-53.32
COCC(C)(C)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305656	1	51	-1.0	-41.04	396.80	3.82	-37.22
COCC(C)(C)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305656	1	51	-1.0	-41.06	396.87	3.85	-37.21
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020305657	0	45	-1.0	-45.85	372.41	5.63	-40.22
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020305657	1	45	-1.0	-45.85	372.36	5.62	-40.23
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020305658	0	42	-1.0	-45.89	353.96	5.18	-40.71
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020305658	1	42	-1.0	-45.92	353.91	5.16	-40.76
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020305659	0	53	0.0	-61.90	416.83	9.82	-52.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020305659	1	53	0.0	-59.52	412.55	9.46	-50.06
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)[C@H](C)C1	REAL300020305660	0	45	-1.0	-39.14	359.71	6.64	-32.50
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)[C@H](C)C1	REAL300020305660	1	45	-1.0	-39.14	359.77	6.66	-32.48
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)[C@H](C)C1	REAL300020305661	0	42	-1.0	-42.29	325.96	5.35	-36.94
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)[C@H](C)C1	REAL300020305661	1	42	-1.0	-42.28	326.02	5.38	-36.90
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)[C@H](C)C1	REAL300020305662	0	49	-1.0	-40.48	390.55	8.67	-31.81
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)[C@H](C)C1	REAL300020305662	1	49	-1.0	-40.50	390.61	8.66	-31.84
CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305663	0	46	-1.0	-43.36	389.39	8.81	-34.55
CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305663	1	46	-1.0	-43.38	389.45	8.83	-34.55
CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305664	0	43	-1.0	-43.89	371.21	7.32	-36.57
CC(C1=CC=CC(C#N)=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305664	1	43	-1.0	-43.89	371.15	7.29	-36.60
CC1(C)CC(C2=CC=CC=C2)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305665	0	52	-1.0	-40.60	417.83	10.66	-29.94
CC1(C)CC(C2=CC=CC=C2)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305665	1	52	-1.0	-40.66	417.89	10.68	-29.98
CC1(C)CC(C2=CC=CC=C2)N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305666	0	49	-1.0	-43.74	391.89	9.67	-34.07
CC1(C)CC(C2=CC=CC=C2)N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305666	1	49	-1.0	-43.74	391.84	9.64	-34.10
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020305667	0	45	-1.0	-40.13	364.53	6.21	-33.92
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020305667	1	45	-1.0	-40.17	364.59	6.23	-33.94
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020305668	0	42	-1.0	-40.91	352.07	5.44	-35.47
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020305668	1	42	-1.0	-40.92	352.12	5.46	-35.46
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020305669	0	44	-1.0	-40.66	351.65	5.40	-35.26
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020305669	1	44	-1.0	-40.74	351.71	5.42	-35.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020305670	0	41	-1.0	-42.49	333.87	4.74	-37.75
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020305670	1	41	-1.0	-42.47	333.93	4.77	-37.70
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020305671	0	48	-1.0	-42.27	379.03	7.71	-34.56
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020305671	1	48	-1.0	-42.25	379.08	7.69	-34.56
CN(CC1(O)CCC2=CC=CC=C21)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305672	0	50	-1.0	-41.02	399.43	7.50	-33.52
CN(CC1(O)CCC2=CC=CC=C21)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305672	1	50	-1.0	-41.03	399.49	7.52	-33.51
CN(CC1(O)CCC2=CC=CC=C21)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305673	0	47	-1.0	-43.19	377.84	6.87	-36.32
CN(CC1(O)CCC2=CC=CC=C21)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305673	1	47	-1.0	-43.21	377.89	6.89	-36.32
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305674	0	49	-1.0	-41.72	396.48	6.86	-34.86
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305674	1	49	-1.0	-41.69	396.53	6.87	-34.82
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305675	0	46	-1.0	-39.91	368.29	6.56	-33.35
CN(CC(C)(O)C1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305675	1	46	-1.0	-39.91	368.34	6.58	-33.33
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020305676	0	53	-1.0	-40.42	407.45	7.58	-32.84
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020305676	1	53	-1.0	-40.43	407.50	7.60	-32.83
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020305677	0	50	-1.0	-42.29	390.24	6.72	-35.57
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020305677	1	50	-1.0	-42.28	390.30	6.75	-35.53
CC1(C)CCCC1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305678	0	55	-1.0	-39.94	401.88	9.17	-30.77
CC1(C)CCCC1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305678	1	55	-1.0	-39.96	401.94	9.19	-30.77
CC1(C)CCCC1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305679	0	52	-1.0	-40.33	374.83	8.47	-31.86
CC1(C)CCCC1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305679	1	52	-1.0	-40.36	374.88	8.50	-31.86
O=C(NCC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305680	0	50	-1.0	-45.27	414.67	6.86	-38.41
O=C(NCC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305680	1	50	-1.0	-45.30	414.73	6.88	-38.42
CC(C)(C)OC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305681	0	54	-1.0	-42.32	424.09	8.45	-33.87
CC(C)(C)OC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305681	1	54	-1.0	-42.32	424.15	8.47	-33.85
CC1CC2(CN1C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CCOCC2	REAL300020305682	0	50	-1.0	-40.44	378.19	6.30	-34.14
CC1CC2(CN1C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CCOCC2	REAL300020305682	1	50	-1.0	-40.45	378.24	6.31	-34.14
CC1CC2(CN1C1=NN=C(CC3=N[N-]N=N3)N1CCF)CCOCC2	REAL300020305683	0	47	-1.0	-42.36	359.14	5.92	-36.44
CC1CC2(CN1C1=NN=C(CC3=NN=N[N-]3)N1CCF)CCOCC2	REAL300020305683	1	47	-1.0	-42.42	359.20	5.94	-36.48
C#CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305684	0	41	-1.0	-39.16	349.20	7.39	-31.77
C#CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305684	1	41	-1.0	-39.17	349.26	7.40	-31.77
C#CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305685	0	38	-1.0	-41.01	327.75	6.63	-34.38
C#CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305685	1	38	-1.0	-40.97	327.70	6.60	-34.37
C#CC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305686	0	45	-1.0	-40.76	376.13	9.35	-31.41
C#CC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305686	1	45	-1.0	-40.78	376.17	9.35	-31.43
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305687	0	44	-1.0	-39.40	365.53	7.97	-31.43
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305687	1	44	-1.0	-39.38	365.59	7.98	-31.40
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305688	0	41	-1.0	-41.97	344.04	7.41	-34.56
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305688	1	41	-1.0	-41.96	344.09	7.44	-34.52
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305689	0	48	-1.0	-40.74	397.56	10.08	-30.66
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305689	1	48	-1.0	-40.69	397.61	10.07	-30.62
CC1=CC=C(CN(CC2CC2)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=N1	REAL300020305690	0	51	-1.0	-41.45	412.84	7.85	-33.60
CC1=CC=C(CN(CC2CC2)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=N1	REAL300020305690	1	51	-1.0	-41.45	412.89	7.86	-33.59
CC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=N1	REAL300020305691	0	48	-1.0	-41.00	398.60	8.31	-32.69
CC1=CC=C(CN(CC2CC2)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=N1	REAL300020305691	1	48	-1.0	-41.05	398.65	8.33	-32.72
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300020305692	0	45	-1.0	-43.65	377.02	6.46	-37.19
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300020305692	1	45	-1.0	-43.70	377.07	6.48	-37.22
CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305693	0	46	-1.0	-41.85	368.91	6.18	-35.67
CC(C)O[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305693	1	46	-1.0	-41.82	368.97	6.19	-35.63
CC(C)O[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305694	0	43	-1.0	-40.23	339.99	5.42	-34.81
CC(C)O[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305694	1	43	-1.0	-40.20	340.05	5.44	-34.76
CC(C)O[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305695	0	50	-1.0	-43.10	396.78	8.02	-35.08
CC(C)O[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305695	1	50	-1.0	-43.06	396.82	8.01	-35.05
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C(=O)OC(C)(C)C	REAL300020305696	0	54	-1.0	-43.25	412.59	8.15	-35.10
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C(=O)OC(C)(C)C	REAL300020305696	1	54	-1.0	-43.29	412.65	8.17	-35.12
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020305697	0	46	-1.0	-43.03	374.88	7.14	-35.89
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020305697	1	46	-1.0	-42.99	374.82	7.12	-35.87
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020305698	0	43	-1.0	-43.35	352.77	6.61	-36.74
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=NC=CC=N2)C1	REAL300020305698	1	43	-1.0	-43.34	352.71	6.58	-36.76
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300020305699	0	46	-1.0	-44.60	384.94	9.28	-35.32
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300020305699	1	46	-1.0	-44.62	385.00	9.30	-35.32
O=S1(=O)CCC2(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CCO2	REAL300020305700	0	44	-1.0	-49.87	371.69	1.71	-48.16
O=S1(=O)CCC2(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CCO2	REAL300020305700	1	44	-1.0	-49.86	371.75	1.74	-48.12
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020305701	0	47	-1.0	-41.69	381.93	7.93	-33.76
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020305701	1	47	-1.0	-41.69	381.99	7.94	-33.75
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020305702	0	44	-1.0	-43.30	357.10	7.42	-35.88
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=CC=C2)C1	REAL300020305702	1	44	-1.0	-43.32	357.15	7.45	-35.87
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020305703	0	55	0.0	-60.63	415.82	7.06	-53.57
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020305703	1	55	0.0	-62.24	414.17	6.48	-55.76
COCCN1[C@H](C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@@H]1C	REAL300020305703	1	54	-1.0	-39.70	415.79	4.96	-34.74
COCCN1[C@H](C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020305703	1	54	-1.0	-39.69	415.85	4.98	-34.71
COCC[N@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020305704	0	52	0.0	-58.26	391.31	6.51	-51.75
COCC[N@@H+]1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020305704	1	52	0.0	-59.10	392.04	5.69	-53.41
COCCN1[C@H](C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@@H]1C	REAL300020305704	1	51	-1.0	-42.06	393.59	4.39	-37.67
COCCN1[C@H](C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020305704	1	51	-1.0	-42.08	393.65	4.41	-37.67
CC(=O)NCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305705	0	42	-1.0	-43.94	352.44	3.43	-40.51
CC(=O)NCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305705	1	42	-1.0	-44.03	352.50	3.45	-40.58
CC(=O)NCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305706	0	39	-1.0	-43.54	324.57	2.80	-40.74
CC(=O)NCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305706	1	39	-1.0	-43.59	324.62	2.82	-40.77
CC(=O)NCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305707	0	46	-1.0	-45.29	388.07	5.33	-39.96
CC(=O)NCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305707	1	46	-1.0	-45.23	388.12	5.32	-39.91
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1C	REAL300020305708	0	45	-1.0	-42.61	371.74	6.74	-35.87
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1C	REAL300020305708	1	45	-1.0	-42.60	371.80	6.75	-35.85
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1C	REAL300020305709	0	42	-1.0	-43.50	341.57	5.98	-37.52
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1C	REAL300020305709	1	42	-1.0	-43.52	341.63	6.00	-37.52
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020305710	0	40	-1.0	-39.73	342.89	7.40	-32.33
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020305710	1	40	-1.0	-39.73	342.94	7.42	-32.31
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020305711	0	37	-1.0	-38.93	320.87	6.88	-32.05
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020305711	1	37	-1.0	-38.95	320.81	6.87	-32.08
COC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020305712	0	44	-1.0	-41.09	366.13	6.88	-34.21
COC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020305712	1	44	-1.0	-41.04	366.19	6.90	-34.14
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020305713	0	41	-1.0	-43.61	344.09	6.07	-37.54
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020305713	1	41	-1.0	-43.61	344.03	6.05	-37.56
N#CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020305714	0	41	-1.0	-42.08	357.49	7.98	-34.10
N#CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020305714	1	41	-1.0	-42.11	357.55	7.99	-34.12
N#CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020305715	0	38	-1.0	-43.18	335.46	7.16	-36.02
N#CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020305715	1	38	-1.0	-43.12	335.40	7.14	-35.98
CC(=O)NC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020305716	0	50	-1.0	-45.58	407.02	7.01	-38.57
CC(=O)NC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020305716	1	50	-1.0	-45.54	407.08	7.02	-38.52
CC(=O)NC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020305717	0	47	-1.0	-46.97	381.98	6.76	-40.21
CC(=O)NC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020305717	1	47	-1.0	-46.98	382.04	6.79	-40.19
C#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305718	0	41	-1.0	-40.47	348.40	7.55	-32.92
C#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305718	1	41	-1.0	-40.48	348.46	7.57	-32.91
C#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305719	0	38	-1.0	-41.54	327.75	6.62	-34.92
C#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305719	1	38	-1.0	-41.49	327.69	6.59	-34.90
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305720	0	45	-1.0	-42.83	366.56	9.42	-33.41
C#CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305720	1	45	-1.0	-42.79	366.59	9.42	-33.37
CN(CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305721	0	42	-1.0	-42.24	375.93	6.26	-35.98
CN(CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305721	1	42	-1.0	-42.24	375.98	6.29	-35.95
CC1=CN=C(OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)N=C1	REAL300020305722	0	48	-1.0	-45.07	398.83	4.55	-40.52
CC1=CN=C(OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)N=C1	REAL300020305722	1	48	-1.0	-45.10	398.78	4.53	-40.57
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1C1CC1	REAL300020305723	0	49	-1.0	-40.28	404.82	8.20	-32.08
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1C1CC1	REAL300020305723	1	49	-1.0	-40.31	404.87	8.21	-32.10
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1C1CC1	REAL300020305724	0	46	-1.0	-43.78	378.70	7.45	-36.33
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1C1CC1	REAL300020305724	1	46	-1.0	-43.82	378.76	7.48	-36.34
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305725	0	54	0.0	-61.12	399.03	7.87	-53.25
CCC(C)(C)[NH+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305725	1	54	0.0	-61.08	398.96	7.86	-53.22
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305726	0	51	0.0	-58.25	376.78	7.28	-50.97
CCC(C)(C)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305726	1	51	0.0	-58.22	376.83	7.30	-50.92
CC1=NOC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020305727	0	40	-1.0	-39.75	351.27	3.76	-35.99
CC1=NOC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020305727	1	40	-1.0	-39.77	351.33	3.78	-35.99
CC1=NOC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020305728	0	37	-1.0	-40.12	329.51	3.02	-37.10
CC1=NOC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020305728	1	37	-1.0	-40.06	329.49	3.07	-36.99
CC1=NOC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=N1	REAL300020305729	0	44	-1.0	-42.12	368.51	5.98	-36.14
CC1=NOC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=N1	REAL300020305729	1	44	-1.0	-42.13	368.55	5.97	-36.16
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020305730	0	50	-1.0	-41.05	401.37	7.77	-33.28
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020305730	1	50	-1.0	-41.13	401.42	7.79	-33.34
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020305731	0	47	-1.0	-43.21	378.46	7.13	-36.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)C1	REAL300020305731	1	47	-1.0	-43.23	378.52	7.15	-36.08
CN1C=NN=C1N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305732	0	47	-1.0	-46.15	388.72	8.16	-37.99
CN1C=NN=C1N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305732	1	47	-1.0	-46.17	388.66	8.15	-38.02
CN1C=NN=C1N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305733	0	44	-1.0	-46.64	373.42	7.15	-39.49
CN1C=NN=C1N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305733	1	44	-1.0	-46.63	373.36	7.13	-39.50
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020305734	0	52	-1.0	-40.37	402.96	9.40	-30.97
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020305734	1	52	-1.0	-40.41	403.02	9.42	-30.99
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1CCCC1	REAL300020305735	0	49	-1.0	-42.52	381.26	8.60	-33.92
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1CCCC1	REAL300020305735	1	49	-1.0	-42.44	381.31	8.63	-33.81
COC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305736	0	47	-1.0	-43.12	374.11	2.84	-40.28
COC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305736	1	47	-1.0	-43.15	374.17	2.85	-40.30
COC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305737	0	44	-1.0	-44.61	356.22	2.19	-42.42
COC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305737	1	44	-1.0	-44.61	356.28	2.22	-42.39
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2(CCCCC2)O1	REAL300020305738	0	53	-1.0	-38.98	399.45	8.17	-30.81
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2(CCCCC2)O1	REAL300020305738	1	53	-1.0	-38.97	399.51	8.19	-30.78
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2(CCCCC2)O1	REAL300020305739	0	50	-1.0	-40.57	389.92	7.43	-33.14
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2(CCCCC2)O1	REAL300020305739	1	50	-1.0	-40.61	389.98	7.45	-33.16
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305740	0	51	0.0	-62.81	392.58	8.30	-54.51
CN(CC[NH+]1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305740	1	51	0.0	-62.80	392.53	8.29	-54.51
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305741	0	48	0.0	-58.72	376.80	7.38	-51.34
CN(CC[NH+]1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305741	1	48	0.0	-58.68	376.85	7.40	-51.28
CN(CC[NH+]1CCCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305742	0	55	0.0	-68.66	415.20	10.22	-58.44
CN(CC[NH+]1CCCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305742	1	55	0.0	-68.63	415.22	10.20	-58.43
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCC2=CC=C(F)C=C21	REAL300020305743	0	49	-1.0	-40.19	362.87	7.03	-33.16
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCC2=CC=C(F)C=C21	REAL300020305743	1	49	-1.0	-40.20	362.93	7.04	-33.16
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC2=CC=C(F)C=C21	REAL300020305744	0	46	-1.0	-40.81	367.59	8.94	-31.87
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC2=CC=C(F)C=C21	REAL300020305744	1	46	-1.0	-40.79	367.65	8.96	-31.83
COCCOCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305745	0	55	-1.0	-42.44	442.69	3.80	-38.64
COCCOCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305745	1	55	-1.0	-42.47	442.75	3.81	-38.66
COCCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305745	1	56	0.0	-66.60	443.54	6.11	-60.49
COCCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305746	0	52	-1.0	-44.29	424.64	3.12	-41.17
COCCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305746	1	52	-1.0	-44.30	424.69	3.15	-41.15
COCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305746	1	53	0.0	-64.13	421.55	5.51	-58.62
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020305747	0	40	-1.0	-41.34	341.74	6.92	-34.42
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020305747	1	40	-1.0	-41.34	341.80	6.94	-34.40
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020305748	0	37	-1.0	-43.40	321.78	6.25	-37.15
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020305748	1	37	-1.0	-43.43	321.84	6.28	-37.15
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020305749	0	44	-1.0	-43.10	376.01	9.11	-33.99
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020305749	1	44	-1.0	-43.07	376.05	9.09	-33.98
N#CC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020305750	0	41	-1.0	-43.24	362.16	7.58	-35.66
N#CC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020305750	1	41	-1.0	-43.25	362.22	7.59	-35.66
N#CC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020305751	0	38	-1.0	-46.82	340.56	7.19	-39.63
N#CC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020305751	1	38	-1.0	-46.79	340.50	7.16	-39.63
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300020305752	0	51	-1.0	-43.63	406.02	8.22	-35.41
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300020305752	1	51	-1.0	-43.67	406.07	8.24	-35.43
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020305753	0	51	-1.0	-39.96	415.02	7.28	-32.68
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020305753	1	52	0.0	-68.51	414.66	9.58	-58.93
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020305753	1	51	-1.0	-39.96	415.08	7.29	-32.67
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020305754	0	48	-1.0	-41.87	394.45	6.67	-35.20
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020305754	1	49	0.0	-66.46	392.31	8.93	-57.53
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020305754	1	48	-1.0	-41.90	394.50	6.70	-35.20
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020305755	0	37	-1.0	-41.89	314.69	6.25	-35.64
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020305755	1	37	-1.0	-41.89	314.75	6.26	-35.63
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020305756	0	34	-1.0	-42.76	292.57	5.71	-37.05
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020305756	1	34	-1.0	-42.78	292.63	5.73	-37.05
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020305757	0	41	-1.0	-43.42	344.51	8.19	-35.23
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020305757	1	41	-1.0	-43.41	344.53	8.18	-35.23
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020305758	0	39	-1.0	-39.23	331.49	6.58	-32.65
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020305758	1	39	-1.0	-39.20	331.55	6.59	-32.61
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020305759	0	36	-1.0	-40.73	309.54	5.79	-34.94
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020305759	1	36	-1.0	-40.78	309.60	5.81	-34.97
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020305760	0	43	-1.0	-41.42	350.90	8.54	-32.88
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020305760	1	43	-1.0	-41.43	350.93	8.53	-32.90
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020305761	0	43	-1.0	-40.90	362.59	7.60	-33.30
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020305761	1	43	-1.0	-40.86	362.65	7.62	-33.24
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020305762	0	40	-1.0	-43.72	336.70	7.17	-36.55
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020305762	1	40	-1.0	-43.68	336.75	7.20	-36.48
CCN1C=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C(C)C)C=N1	REAL300020305763	0	51	-1.0	-43.35	400.04	7.52	-35.83
CCN1C=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C(C)C)C=N1	REAL300020305763	1	51	-1.0	-43.34	399.98	7.50	-35.84
CCN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C(C)C)C=N1	REAL300020305764	0	48	-1.0	-46.04	380.93	6.79	-39.25
CCN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C(C)C)C=N1	REAL300020305764	1	48	-1.0	-46.03	380.88	6.76	-39.27
CNC(=O)C1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305765	0	43	-1.0	-44.81	367.43	3.86	-40.95
CNC(=O)C1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305765	1	43	-1.0	-44.79	367.49	3.89	-40.90
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H](C)O1	REAL300020305766	0	46	-1.0	-43.48	387.28	6.20	-37.28
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020305766	1	46	-1.0	-43.47	387.33	6.21	-37.26
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H](C)O1	REAL300020305767	0	43	-1.0	-43.88	364.89	5.36	-38.52
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020305767	1	43	-1.0	-43.85	364.95	5.37	-38.48
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2(CCC2)O1	REAL300020305768	0	47	-1.0	-39.33	380.14	6.75	-32.58
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2(CCC2)O1	REAL300020305768	1	47	-1.0	-39.34	380.19	6.76	-32.58
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2(CCC2)O1	REAL300020305769	0	44	-1.0	-40.90	359.62	5.75	-35.15
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2(CCC2)O1	REAL300020305769	1	44	-1.0	-40.85	359.68	5.77	-35.08
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC2(CCC2)O1	REAL300020305770	0	51	-1.0	-40.73	408.64	8.72	-32.01
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC2(CCC2)O1	REAL300020305770	1	51	-1.0	-40.73	408.69	8.71	-32.02
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC2=CC=C(Cl)C=C21	REAL300020305771	0	46	-1.0	-40.35	377.90	9.39	-30.96
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC2=CC=C(Cl)C=C21	REAL300020305771	1	46	-1.0	-40.37	377.97	9.42	-30.95
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300020305772	0	53	-1.0	-42.99	405.92	10.21	-32.78
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300020305772	1	53	-1.0	-42.99	405.98	10.24	-32.75
CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305773	0	46	-1.0	-38.68	373.42	6.15	-32.53
CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305773	1	46	-1.0	-38.64	373.48	6.16	-32.48
CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305774	0	43	-1.0	-40.52	355.61	5.49	-35.03
CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305774	1	43	-1.0	-40.54	355.67	5.52	-35.02
CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305775	0	50	-1.0	-40.29	404.04	8.24	-32.05
CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305775	1	50	-1.0	-40.24	404.07	8.24	-32.00
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)N=C1	REAL300020305776	0	49	-1.0	-42.84	398.40	6.42	-36.42
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)N=C1	REAL300020305776	1	49	-1.0	-42.85	398.46	6.44	-36.41
COC1=CC=C(N(C)CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020305777	0	51	-1.0	-45.08	414.48	7.26	-37.82
COC1=CC=C(N(C)CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020305777	1	51	-1.0	-45.06	414.53	7.28	-37.78
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCOC1	REAL300020305778	0	46	-1.0	-41.63	356.08	4.79	-36.84
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCOC1	REAL300020305778	1	46	-1.0	-41.63	356.14	4.81	-36.82
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCOC1	REAL300020305779	0	43	-1.0	-42.69	339.04	4.17	-38.52
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCCOC1	REAL300020305779	1	43	-1.0	-42.73	339.10	4.19	-38.54
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCCOC1	REAL300020305780	0	50	-1.0	-42.50	379.52	7.62	-34.88
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCCOC1	REAL300020305780	1	50	-1.0	-42.48	379.52	7.61	-34.87
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)OC2=C(C)C=CC=C12	REAL300020305781	0	51	-1.0	-40.82	429.38	9.87	-30.95
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)OC2=C(C)C=CC=C12	REAL300020305781	1	51	-1.0	-40.86	429.44	9.89	-30.97
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)OC2=C(C)C=CC=C12	REAL300020305782	0	48	-1.0	-44.10	400.25	8.74	-35.36
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)OC2=C(C)C=CC=C12	REAL300020305782	1	48	-1.0	-44.09	400.31	8.76	-35.33
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2(CCCC2)O1	REAL300020305783	0	50	-1.0	-38.90	395.30	7.46	-31.44
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2(CCCC2)O1	REAL300020305783	1	50	-1.0	-38.88	395.36	7.48	-31.40
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2(CCCC2)O1	REAL300020305784	0	47	-1.0	-41.46	369.73	6.54	-34.92
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2(CCCC2)O1	REAL300020305784	1	47	-1.0	-41.45	369.79	6.56	-34.89
CC(C)OC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305785	0	49	-1.0	-40.19	388.62	6.70	-33.49
CC(C)OC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305785	1	49	-1.0	-40.20	388.68	6.71	-33.49
CC(C)OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305786	0	46	-1.0	-41.46	376.27	6.24	-35.22
CC(C)OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305786	1	46	-1.0	-41.45	376.33	6.26	-35.19
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCC2=CC=CC=C21	REAL300020305787	0	49	-1.0	-39.95	367.79	8.34	-31.61
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCC2=CC=CC=C21	REAL300020305787	1	49	-1.0	-39.98	367.85	8.35	-31.63
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC2=CC=CC=C21	REAL300020305788	0	46	-1.0	-40.95	361.23	8.90	-32.05
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC2=CC=CC=C21	REAL300020305788	1	46	-1.0	-40.95	361.18	8.87	-32.08
O=C1N[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC[C@H]2CO1	REAL300020305789	0	45	-1.0	-46.46	371.87	3.78	-42.68
O=C1N[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC[C@H]2CO1	REAL300020305789	1	45	-1.0	-46.45	371.92	3.80	-42.65
O=C1N[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC[C@H]2CO1	REAL300020305790	0	42	-1.0	-46.55	344.86	3.05	-43.50
O=C1N[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC[C@H]2CO1	REAL300020305790	1	42	-1.0	-46.42	346.32	3.07	-43.35
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020305791	0	49	-1.0	-44.82	410.35	8.94	-35.88
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020305791	1	49	-1.0	-44.84	410.41	8.96	-35.88
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020305792	0	46	-1.0	-43.57	384.90	8.21	-35.36
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020305792	1	46	-1.0	-43.55	384.96	8.23	-35.32
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020305793	0	43	-1.0	-39.88	377.11	7.88	-32.00
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020305793	1	43	-1.0	-39.89	377.16	7.90	-31.99
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020305794	0	40	-1.0	-40.54	351.54	7.16	-33.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020305794	1	40	-1.0	-40.57	351.59	7.18	-33.39
CCN(CCSC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305795	0	42	-1.0	-41.45	352.87	6.09	-35.36
CCN(CCSC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305795	1	42	-1.0	-41.44	352.92	6.10	-35.34
CCN(CCSC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305796	0	39	-1.0	-44.14	331.46	5.32	-38.82
CCN(CCSC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305796	1	39	-1.0	-44.15	331.53	5.35	-38.80
CCN(CCSC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305797	0	46	-1.0	-43.15	376.94	7.88	-35.27
CCN(CCSC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305797	1	46	-1.0	-43.14	377.03	7.88	-35.26
CN(C)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305798	0	48	-1.0	-46.62	384.49	5.36	-41.26
CN(C)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305798	1	48	-1.0	-46.61	384.55	5.37	-41.24
CN(C)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305799	0	45	-1.0	-49.82	364.05	4.15	-45.67
CN(C)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305799	1	45	-1.0	-49.78	364.11	4.18	-45.60
CC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305800	0	49	-1.0	-41.06	393.81	9.33	-31.73
CC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305800	1	49	-1.0	-41.05	393.87	9.35	-31.70
CC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305801	0	46	-1.0	-43.34	372.52	8.55	-34.79
CC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305801	1	46	-1.0	-43.34	372.58	8.58	-34.76
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020305802	0	43	-1.0	-40.11	363.18	7.86	-32.25
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020305802	1	43	-1.0	-40.07	363.23	7.88	-32.19
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020305803	0	40	-1.0	-40.39	344.28	7.17	-33.22
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)CC1	REAL300020305803	1	40	-1.0	-40.41	344.34	7.19	-33.22
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020305804	0	40	-1.0	-43.25	338.86	4.28	-38.97
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020305804	1	40	-1.0	-43.20	338.91	4.29	-38.91
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020305805	0	37	-1.0	-42.33	313.31	3.72	-38.61
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020305805	1	37	-1.0	-42.34	313.25	3.71	-38.63
CN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1=O	REAL300020305806	0	44	-1.0	-44.30	356.52	6.32	-37.98
CN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1=O	REAL300020305806	1	44	-1.0	-44.27	356.56	6.31	-37.96
CC(CSC1=CC=CC=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305807	0	49	-1.0	-41.14	396.74	9.79	-31.35
CC(CSC1=CC=CC=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305807	1	49	-1.0	-41.14	396.80	9.81	-31.33
CC(CSC1=CC=CC=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305808	0	46	-1.0	-41.49	374.67	9.30	-32.19
CC(CSC1=CC=CC=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305808	1	46	-1.0	-41.52	374.72	9.31	-32.21
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020305809	0	55	-1.0	-38.33	416.74	9.78	-28.55
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020305809	1	55	-1.0	-38.31	416.80	9.80	-28.51
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020305810	0	52	-1.0	-40.58	394.44	9.37	-31.21
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020305810	1	52	-1.0	-40.60	394.49	9.39	-31.21
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020305811	0	48	-1.0	-50.22	392.38	9.87	-40.35
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020305811	1	48	-1.0	-50.21	392.32	9.86	-40.35
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020305812	0	45	-1.0	-52.46	375.17	9.02	-43.44
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020305812	1	45	-1.0	-52.42	375.11	9.00	-43.42
COCC1=NN=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCN12	REAL300020305813	0	46	-1.0	-52.96	380.98	4.81	-48.15
COCC1=NN=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCN12	REAL300020305813	1	46	-1.0	-52.93	381.04	4.82	-48.11
COCC1=NN=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN12	REAL300020305814	0	43	-1.0	-46.46	363.15	5.09	-41.37
COCC1=NN=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN12	REAL300020305814	1	43	-1.0	-46.48	363.21	5.12	-41.36
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020305815	0	47	-1.0	-39.99	396.78	9.65	-30.34
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020305815	1	47	-1.0	-39.98	396.84	9.66	-30.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020305816	0	44	-1.0	-40.55	379.48	8.79	-31.76
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020305816	1	44	-1.0	-40.56	379.54	8.81	-31.75
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300020305817	0	47	-1.0	-47.49	392.06	9.43	-38.06
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300020305817	1	47	-1.0	-47.50	392.13	9.46	-38.04
CC1(C2=CC=CC=C2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305818	0	50	-1.0	-40.51	405.42	8.37	-32.14
CC1(C2=CC=CC=C2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305818	1	50	-1.0	-40.52	405.48	8.38	-32.14
CC1(C2=CC=CC=C2)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305819	0	47	-1.0	-43.40	380.27	7.69	-35.71
CC1(C2=CC=CC=C2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305819	1	47	-1.0	-43.40	380.33	7.71	-35.69
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305820	0	49	-1.0	-43.05	410.15	8.37	-34.68
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305820	1	49	-1.0	-43.04	410.20	8.38	-34.66
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305821	0	46	-1.0	-43.08	388.78	7.56	-35.52
C#CCN(CC(=O)OC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305821	1	46	-1.0	-43.11	388.83	7.59	-35.52
O=C1OCCN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305822	0	45	-1.0	-47.87	358.36	5.14	-42.73
O=C1OCCN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305822	1	45	-1.0	-47.83	358.42	5.15	-42.68
O=C1OCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305823	0	42	-1.0	-46.73	345.26	4.69	-42.04
O=C1OCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305823	1	42	-1.0	-46.76	345.32	4.72	-42.04
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020305824	0	40	-1.0	-39.40	321.94	6.85	-32.55
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020305824	1	40	-1.0	-39.41	321.99	6.86	-32.55
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020305825	0	44	-1.0	-40.92	350.26	8.82	-32.10
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020305825	1	44	-1.0	-40.92	350.28	8.81	-32.11
CC1COC2(CCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305826	0	47	-1.0	-39.78	373.24	5.89	-33.89
CC1COC2(CCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305826	1	47	-1.0	-39.72	373.29	5.90	-33.82
CC1COC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305827	0	44	-1.0	-41.04	351.33	5.26	-35.78
CC1COC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305827	1	44	-1.0	-41.08	351.40	5.28	-35.80
CC1COC2(CCC2)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305828	0	51	-1.0	-40.95	402.89	7.37	-33.58
CC1COC2(CCC2)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305828	1	51	-1.0	-40.90	402.92	7.36	-33.54
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020305829	0	49	-1.0	-40.79	389.89	3.92	-36.87
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020305829	1	49	-1.0	-40.83	389.95	3.94	-36.89
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020305829	1	50	0.0	-67.72	392.71	6.12	-61.60
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020305830	0	46	-1.0	-41.87	370.25	3.20	-38.67
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020305830	1	46	-1.0	-41.91	370.31	3.22	-38.69
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020305830	1	47	0.0	-65.54	367.34	5.40	-60.14
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020305831	0	52	-1.0	-39.66	397.82	9.36	-30.30
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020305831	1	52	-1.0	-39.70	397.88	9.38	-30.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020305832	0	49	-1.0	-40.74	367.30	8.49	-32.25
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020305832	1	49	-1.0	-40.72	367.35	8.51	-32.21
CN(C)S(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305833	0	46	-1.0	-44.42	390.88	2.33	-42.09
CN(C)S(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305833	1	46	-1.0	-44.42	390.93	2.36	-42.06
C[N@H+](CCC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305834	0	55	0.0	-68.25	421.61	10.33	-57.92
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305834	1	55	0.0	-67.28	421.61	10.35	-56.93
C[N@H+](CCC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305834	1	55	0.0	-68.26	421.67	10.36	-57.90
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305834	1	55	0.0	-67.31	421.66	10.38	-56.93
CC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020305835	0	46	-1.0	-41.86	371.17	8.09	-33.77
CC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020305835	1	46	-1.0	-41.90	371.23	8.11	-33.79
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COCCN(CCF)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305840	0	42	-1.0	-40.62	349.98	4.15	-36.47
COCCN(CCF)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305840	1	42	-1.0	-40.62	350.04	4.17	-36.45
COCCN(CCF)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305841	0	39	-1.0	-40.00	324.57	3.90	-36.10
COCCN(CCF)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305841	1	39	-1.0	-40.02	324.63	3.93	-36.09
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CC1=CC=C2NC3=C(CN(C4=NN=C(CCC5=N[N-]N=N5)N4CCF)CC3)C2=C1	REAL300020305843	0	50	-1.0	-42.24	414.04	9.07	-33.17
CC1=CC=C2NC3=C(CN(C4=NN=C(CCC5=NN=N[N-]5)N4CCF)CC3)C2=C1	REAL300020305843	1	50	-1.0	-42.31	414.10	9.09	-33.22
CC1=CC=C2NC3=C(CN(C4=NN=C(CC5=NN=N[N-]5)N4CCF)CC3)C2=C1	REAL300020305844	0	47	-1.0	-46.80	381.40	7.59	-39.21
CC1=CC=C2NC3=C(CN(C4=NN=C(CC5=N[N-]N=N5)N4CCF)CC3)C2=C1	REAL300020305844	1	47	-1.0	-46.79	381.34	7.58	-39.21
O=C1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2N1	REAL300020305845	0	47	-1.0	-43.39	377.96	4.60	-38.79
O=C1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2N1	REAL300020305845	1	47	-1.0	-43.38	378.02	4.61	-38.77
O=C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2N1	REAL300020305846	0	44	-1.0	-43.67	355.94	3.99	-39.68
O=C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2N1	REAL300020305846	1	44	-1.0	-43.70	356.00	4.01	-39.69
CN(CC1COCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305847	0	44	-1.0	-42.38	352.05	3.98	-38.40
CN(CC1COCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305847	1	44	-1.0	-42.38	352.11	3.99	-38.39
CN(CC1COCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305848	0	41	-1.0	-42.46	340.84	3.45	-39.01
CN(CC1COCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305848	1	41	-1.0	-42.41	340.90	3.47	-38.94
CN(CC1COCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305849	0	48	-1.0	-44.14	385.10	6.15	-37.99
CN(CC1COCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305849	1	48	-1.0	-44.16	385.16	6.13	-38.03
CN(CC1=CCCOC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305850	0	44	-1.0	-39.39	365.66	5.79	-33.60
CN(CC1=CCCOC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305850	1	44	-1.0	-39.39	365.71	5.80	-33.59
CN(CC1=CCCOC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305851	0	41	-1.0	-40.87	340.78	5.19	-35.68
CN(CC1=CCCOC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305851	1	41	-1.0	-40.86	340.84	5.21	-35.65
CN(CC1=CCCOC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305852	0	48	-1.0	-41.39	387.92	7.93	-33.46
CN(CC1=CCCOC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305852	1	48	-1.0	-41.38	387.96	7.91	-33.47
COC1=CC=C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1F	REAL300020305853	0	47	-1.0	-43.40	392.19	8.06	-35.34
COC1=CC=C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1F	REAL300020305853	1	47	-1.0	-43.42	392.25	8.07	-35.35
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020305854	0	52	-1.0	-38.60	387.85	8.66	-29.94
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020305854	1	52	-1.0	-38.60	387.91	8.67	-29.93
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020305855	0	49	-1.0	-39.98	365.92	8.06	-31.92
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020305855	1	49	-1.0	-40.01	365.98	8.07	-31.94
C[C@@]12COC[C@]1(C)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020305856	0	47	-1.0	-39.50	367.33	5.48	-34.02
C[C@@]12COC[C@]1(C)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020305856	1	47	-1.0	-39.49	367.38	5.50	-33.99
C[C@@]12COC[C@]1(C)CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020305857	0	44	-1.0	-40.73	336.32	4.62	-36.11
C[C@@]12COC[C@]1(C)CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020305857	1	44	-1.0	-40.75	336.38	4.63	-36.12
C[C@@]12COC[C@]1(C)CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CCF)C2	REAL300020305858	0	51	-1.0	-43.15	395.57	7.50	-35.65
C[C@@]12COC[C@]1(C)CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CCF)C2	REAL300020305858	1	51	-1.0	-43.17	395.63	7.49	-35.68
OCC1(O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305859	0	44	-1.0	-42.43	357.79	1.06	-41.37
OCC1(O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305859	1	44	-1.0	-42.43	357.84	1.08	-41.35
OCC1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305860	0	41	-1.0	-44.69	339.95	0.42	-44.27
OCC1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305860	1	41	-1.0	-44.69	340.01	0.44	-44.25
OCC1(O)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020305861	0	48	-1.0	-43.59	389.85	3.17	-40.42
OCC1(O)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020305861	1	48	-1.0	-43.57	389.90	3.16	-40.41
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020305862	0	49	-1.0	-38.74	386.24	8.97	-29.77
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020305862	1	49	-1.0	-38.79	386.30	8.99	-29.80
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020305863	0	46	-1.0	-40.53	364.43	8.37	-32.16
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020305863	1	46	-1.0	-40.56	364.48	8.38	-32.18
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020305864	0	53	-1.0	-39.93	418.39	11.08	-28.85
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020305864	1	53	-1.0	-39.90	418.39	11.07	-28.83
C=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305865	0	46	-1.0	-38.86	371.39	7.97	-30.89
C=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305865	1	46	-1.0	-38.87	371.44	7.99	-30.88
C=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305866	0	43	-1.0	-40.74	353.60	7.31	-33.43
C=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305866	1	43	-1.0	-40.75	353.65	7.34	-33.41
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305867	0	50	-1.0	-40.07	403.40	10.08	-29.99
C=CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305867	1	50	-1.0	-40.03	403.45	10.07	-29.96
CCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020305868	0	39	-1.0	-43.67	337.69	8.26	-35.41
CCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020305868	1	39	-1.0	-43.68	337.63	8.25	-35.43
CCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020305869	0	36	-1.0	-45.47	316.14	7.49	-37.98
CCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020305869	1	36	-1.0	-45.43	316.08	7.46	-37.97
CCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=N1	REAL300020305870	0	43	-1.0	-45.27	366.01	10.21	-35.06
CCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=N1	REAL300020305870	1	43	-1.0	-45.29	365.98	10.22	-35.07
C#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305871	0	44	-1.0	-39.40	365.53	7.97	-31.43
C#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305871	1	44	-1.0	-39.38	365.59	7.98	-31.40
C#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305872	0	41	-1.0	-41.97	344.04	7.41	-34.56
C#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305872	1	41	-1.0	-41.96	344.09	7.44	-34.52
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305873	0	48	-1.0	-40.74	397.56	10.08	-30.66
C#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305873	1	48	-1.0	-40.69	397.61	10.07	-30.62
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC(C)(C)CC(C)(C)C1	REAL300020305874	0	57	-1.0	-38.90	419.33	9.20	-29.70
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC(C)(C)CC(C)(C)C1	REAL300020305874	1	57	-1.0	-38.89	419.39	9.21	-29.68
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC(C)(C)CC(C)(C)C1	REAL300020305875	0	54	-1.0	-42.80	392.52	8.52	-34.28
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC(C)(C)CC(C)(C)C1	REAL300020305875	1	54	-1.0	-42.81	392.58	8.54	-34.27
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C)(C)C1	REAL300020305876	0	54	-1.0	-39.61	392.64	8.27	-31.34
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C)(C)C1	REAL300020305876	1	54	-1.0	-39.64	392.69	8.28	-31.36
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C)(C)C1	REAL300020305877	0	51	-1.0	-40.89	374.42	8.79	-32.10
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C)(C)C1	REAL300020305877	1	51	-1.0	-40.86	374.48	8.82	-32.04
CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305878	0	52	-1.0	-40.82	404.31	11.74	-29.08
CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305878	1	52	-1.0	-40.80	404.37	11.76	-29.04
CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305879	0	49	-1.0	-44.27	350.22	7.71	-36.56
CC1=CC=CC(C)=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305879	1	49	-1.0	-44.32	350.17	7.71	-36.61
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020305880	0	45	-1.0	-49.59	364.89	5.70	-43.89
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020305880	1	45	-1.0	-49.57	364.83	5.69	-43.88
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020305881	0	42	-1.0	-52.93	351.78	5.26	-47.67
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020305881	1	42	-1.0	-52.95	351.72	5.24	-47.71
CCOC(=O)C1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC12CCC2	REAL300020305882	0	49	-1.0	-42.97	391.22	7.89	-35.08
CCOC(=O)C1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC12CCC2	REAL300020305882	1	49	-1.0	-42.98	391.28	7.91	-35.07
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCC2=CC=CC=C21	REAL300020305883	0	52	-1.0	-40.45	372.58	7.58	-32.87
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCC2=CC=CC=C21	REAL300020305883	1	52	-1.0	-40.44	372.63	7.60	-32.84
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC2=CC=CC=C21	REAL300020305884	0	49	-1.0	-41.89	350.86	6.93	-34.96
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC2=CC=CC=C21	REAL300020305884	1	49	-1.0	-41.90	350.91	6.95	-34.95
CN(CC(=O)N(C)C1CCCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305885	0	55	-1.0	-40.89	433.66	8.07	-32.82
CN(CC(=O)N(C)C1CCCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305885	1	55	-1.0	-40.91	433.72	8.09	-32.82
CN(CC(=O)N(C)C1CCCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305886	0	52	-1.0	-41.02	398.33	7.48	-33.54
CN(CC(=O)N(C)C1CCCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305886	1	52	-1.0	-41.07	398.38	7.51	-33.56
OC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[C@@H]1C1=CC=CC=C1	REAL300020305887	0	50	-1.0	-45.31	383.63	5.84	-39.47
OC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[C@@H]1C1=CC=CC=C1	REAL300020305887	1	50	-1.0	-45.31	383.69	5.87	-39.44
N#CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305888	0	43	-1.0	-42.85	359.10	7.14	-35.71
N#CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305888	1	43	-1.0	-42.89	359.16	7.15	-35.74
N#CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305889	0	40	-1.0	-44.98	341.33	6.48	-38.50
N#CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305889	1	40	-1.0	-44.98	341.39	6.51	-38.47
N#CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305890	0	47	-1.0	-44.63	391.13	9.25	-35.38
N#CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305890	1	47	-1.0	-44.59	391.18	9.24	-35.35
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020305891	0	52	-1.0	-38.41	388.14	9.13	-29.28
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020305891	1	52	-1.0	-38.43	388.20	9.15	-29.28
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020305892	0	49	-1.0	-40.50	375.26	8.39	-32.11
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020305892	1	49	-1.0	-40.54	375.32	8.42	-32.12
CCC(C)N(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305893	0	44	-1.0	-39.58	346.39	5.29	-34.29
CCC(C)N(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305893	1	44	-1.0	-39.58	346.44	5.30	-34.28
CCC(C)N(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305894	0	48	-1.0	-40.33	380.62	9.08	-31.25
CCC(C)N(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305894	1	48	-1.0	-40.31	380.66	9.07	-31.24
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020305895	0	50	-1.0	-39.59	364.16	8.16	-31.43
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020305895	1	50	-1.0	-39.57	364.22	8.17	-31.40
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020305896	0	47	-1.0	-41.67	344.72	7.76	-33.91
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020305896	1	47	-1.0	-41.68	344.78	7.79	-33.89
O=C1CCC2=C(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)N1	REAL300020305897	0	45	-1.0	-45.18	363.59	4.52	-40.66
O=C1CCC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)N1	REAL300020305897	1	45	-1.0	-45.20	363.65	4.53	-40.67
O=C1CCC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)N1	REAL300020305898	0	42	-1.0	-44.43	349.80	4.67	-39.76
O=C1CCC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)N1	REAL300020305898	1	42	-1.0	-44.46	349.85	4.70	-39.76
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020305899	0	46	-1.0	-40.13	380.34	7.89	-32.24
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020305899	1	46	-1.0	-40.10	380.40	7.91	-32.19
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020305900	0	43	-1.0	-42.06	357.98	7.49	-34.57
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020305900	1	43	-1.0	-42.16	358.03	7.51	-34.65
CC1(C2CC2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305901	0	47	-1.0	-39.51	372.04	6.65	-32.86
CC1(C2CC2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305901	1	47	-1.0	-39.52	372.09	6.66	-32.86
CC1(C2CC2)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305902	0	44	-1.0	-40.41	350.09	6.06	-34.35
CC1(C2CC2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305902	1	44	-1.0	-40.41	350.14	6.07	-34.34
CC1(C2CC2)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020305903	0	51	-1.0	-41.02	404.08	8.79	-32.23
CC1(C2CC2)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020305903	1	51	-1.0	-41.02	404.13	8.78	-32.24
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020305904	0	50	-1.0	-41.21	409.46	8.99	-32.22
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020305904	1	50	-1.0	-41.24	409.52	9.01	-32.23
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020305905	0	47	-1.0	-44.80	381.88	8.04	-36.76
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020305905	1	47	-1.0	-44.79	381.94	8.06	-36.73
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC(C(C)(C)C)C1	REAL300020305906	0	51	-1.0	-39.59	401.53	8.61	-30.98
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC(C(C)(C)C)C1	REAL300020305906	1	51	-1.0	-39.55	401.59	8.63	-30.92
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC(C(C)(C)C)C1	REAL300020305907	0	48	-1.0	-42.40	365.11	7.59	-34.81
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC(C(C)(C)C)C1	REAL300020305907	1	48	-1.0	-42.47	365.17	7.62	-34.85
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CC(C(C)(C)C)C1	REAL300020305908	0	55	-1.0	-41.14	422.42	10.80	-30.34
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CC(C(C)(C)C)C1	REAL300020305908	1	55	-1.0	-41.25	422.46	10.79	-30.46
N#CC1=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=CS1	REAL300020305909	0	43	-1.0	-46.97	381.76	6.29	-40.68
N#CC1=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=CS1	REAL300020305909	1	43	-1.0	-46.95	381.82	6.31	-40.64
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@@H](C)O1	REAL300020305910	0	46	-1.0	-43.18	381.46	6.36	-36.82
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H](C)O1	REAL300020305910	1	46	-1.0	-43.21	381.52	6.38	-36.83
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@@H](C)O1	REAL300020305911	0	43	-1.0	-43.84	355.32	5.62	-38.22
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H](C)O1	REAL300020305911	1	43	-1.0	-43.86	355.38	5.64	-38.22
CCC1(CC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305912	0	51	-1.0	-38.70	387.40	8.66	-30.04
CCC1(CC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305912	1	51	-1.0	-38.65	387.45	8.68	-29.97
CCC1(CC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305913	0	48	-1.0	-42.52	360.74	8.02	-34.50
CCC1(CC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305913	1	48	-1.0	-42.54	360.79	8.05	-34.49
CCC1(CC)CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305914	0	55	-1.0	-40.74	411.11	10.83	-29.91
CCC1(CC)CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305914	1	55	-1.0	-40.70	411.17	10.82	-29.88
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1S(C)(=O)=O	REAL300020305915	0	47	-1.0	-48.68	379.48	3.34	-45.34
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1S(C)(=O)=O	REAL300020305915	1	47	-1.0	-48.66	379.53	3.35	-45.31
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1S(C)(=O)=O	REAL300020305916	0	44	-1.0	-48.71	351.98	2.17	-46.54
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1S(C)(=O)=O	REAL300020305916	1	44	-1.0	-48.71	352.03	2.19	-46.52
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020305917	0	46	-1.0	-43.00	378.44	6.83	-36.17
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020305917	1	46	-1.0	-43.04	378.39	6.82	-36.22
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020305918	0	43	-1.0	-43.74	360.02	6.39	-37.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020305918	1	43	-1.0	-43.75	359.96	6.37	-37.38
FCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305919	0	45	-1.0	-40.50	364.71	7.54	-32.96
FCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305919	1	45	-1.0	-40.50	364.77	7.56	-32.94
FCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305920	0	42	-1.0	-43.01	346.97	6.88	-36.13
FCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305920	1	42	-1.0	-43.03	347.03	6.91	-36.12
FCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305921	0	49	-1.0	-42.96	385.95	9.74	-33.22
FCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305921	1	49	-1.0	-43.01	386.00	9.74	-33.27
COCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305922	0	52	-1.0	-40.51	417.01	7.39	-33.12
COCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305922	1	52	-1.0	-40.52	417.07	7.41	-33.11
COCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305923	0	49	-1.0	-42.90	395.51	6.61	-36.29
COCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305923	1	49	-1.0	-42.93	395.56	6.63	-36.30
CC12COCC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020305924	0	44	-1.0	-41.81	351.12	4.97	-36.84
CC12COCC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020305924	1	44	-1.0	-41.82	351.18	4.99	-36.83
CC12COCC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020305925	0	41	-1.0	-44.04	320.57	4.30	-39.74
CC12COCC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020305925	1	41	-1.0	-44.08	320.63	4.32	-39.76
CC12COCC1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CCF)C2	REAL300020305926	0	48	-1.0	-43.16	381.84	7.13	-36.03
CC12COCC1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CCF)C2	REAL300020305926	1	48	-1.0	-43.18	381.87	7.12	-36.06
COC1=CC=CC(C2(C)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=C1	REAL300020305927	0	50	-1.0	-42.63	390.06	7.88	-34.75
COC1=CC=CC(C2(C)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=C1	REAL300020305927	1	50	-1.0	-42.63	390.11	7.90	-34.73
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H](C)O1	REAL300020305928	0	46	-1.0	-38.60	370.02	6.19	-32.41
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020305928	1	46	-1.0	-38.57	370.09	6.21	-32.36
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H](C)O1	REAL300020305929	0	43	-1.0	-39.74	344.44	5.46	-34.28
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H](C)O1	REAL300020305929	1	43	-1.0	-39.76	344.50	5.47	-34.29
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C[C@H](C)O1	REAL300020305930	0	50	-1.0	-40.13	398.44	8.18	-31.95
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C[C@H](C)O1	REAL300020305930	1	50	-1.0	-40.13	398.48	8.16	-31.97
CCCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305931	0	48	-1.0	-41.47	384.43	9.19	-32.28
CCCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305931	1	48	-1.0	-41.48	384.49	9.20	-32.28
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305932	0	45	-1.0	-43.59	379.80	8.00	-35.59
CCCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305932	1	45	-1.0	-43.62	379.74	7.96	-35.66
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020305933	0	42	-1.0	-41.57	332.40	7.39	-34.18
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020305933	1	42	-1.0	-41.53	332.46	7.41	-34.12
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020305934	0	39	-1.0	-40.44	326.60	6.34	-34.10
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020305934	1	39	-1.0	-40.45	326.66	6.36	-34.09
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)CC1	REAL300020305935	0	46	-1.0	-42.82	365.51	9.53	-33.29
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)CC1	REAL300020305935	1	46	-1.0	-42.79	365.55	9.52	-33.27
NC(=O)C1=CN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)N=N1	REAL300020305936	0	46	-1.0	-44.68	389.90	1.58	-43.10
NC(=O)C1=CN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)N=N1	REAL300020305936	1	46	-1.0	-44.67	389.84	1.56	-43.11
CC(C)C1=NC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=CS1	REAL300020305937	0	47	-1.0	-40.33	402.88	6.85	-33.48
CC(C)C1=NC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=CS1	REAL300020305937	1	47	-1.0	-40.33	402.94	6.87	-33.46
CC(C)C1=NC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=CS1	REAL300020305938	0	44	-1.0	-45.87	378.42	6.31	-39.56
CC(C)C1=NC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=CS1	REAL300020305938	1	44	-1.0	-45.87	378.48	6.34	-39.53
CN(CC1=CN(C)N=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305939	0	41	-1.0	-47.23	342.20	4.35	-42.88
CN(CC1=CN(C)N=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305939	1	41	-1.0	-47.26	342.26	4.36	-42.90
CN(CC1=CN(C)N=N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305940	0	38	-1.0	-48.97	334.39	3.63	-45.34
CN(CC1=CN(C)N=N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305940	1	38	-1.0	-48.95	334.33	3.61	-45.34
CN(CC1=CN(C)N=N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305941	0	45	-1.0	-48.95	376.87	6.45	-42.50
CN(CC1=CN(C)N=N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305941	1	45	-1.0	-48.96	376.94	6.44	-42.52
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305942	0	48	-1.0	-39.24	378.09	7.27	-31.97
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305942	1	48	-1.0	-39.24	378.15	7.29	-31.95
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305943	0	45	-1.0	-41.41	355.37	6.56	-34.85
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305943	1	45	-1.0	-41.42	355.43	6.59	-34.83
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020305944	0	52	-1.0	-40.39	408.61	9.20	-31.19
CC[C@@H]1CC[C@@H](C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020305944	1	52	-1.0	-40.40	408.65	9.19	-31.21
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020305945	0	53	-1.0	-39.00	412.58	7.98	-31.02
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020305945	1	53	-1.0	-39.03	412.64	8.00	-31.03
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020305946	0	50	-1.0	-40.97	386.66	7.38	-33.59
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020305946	1	50	-1.0	-40.95	386.72	7.41	-33.54
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020305947	0	53	-1.0	-41.42	410.05	7.96	-33.46
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020305947	1	53	-1.0	-41.44	410.10	7.98	-33.46
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020305948	0	50	-1.0	-45.72	386.67	7.23	-38.49
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020305948	1	50	-1.0	-45.77	386.73	7.25	-38.52
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020305949	0	41	-1.0	-41.25	335.88	4.26	-36.99
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020305949	1	41	-1.0	-41.28	335.93	4.28	-37.00
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020305950	0	38	-1.0	-43.45	317.08	3.52	-39.93
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020305950	1	38	-1.0	-43.46	317.14	3.54	-39.92
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020305951	0	45	-1.0	-42.43	369.03	6.38	-36.05
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020305951	1	45	-1.0	-42.41	369.07	6.37	-36.04
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305952	0	46	-1.0	-50.16	363.26	5.22	-44.94
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305952	1	46	-1.0	-50.15	363.32	5.23	-44.92
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305953	0	43	-1.0	-48.79	341.56	4.68	-44.11
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305953	1	43	-1.0	-48.77	341.62	4.69	-44.08
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305954	0	50	-1.0	-50.34	399.07	7.48	-42.86
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305954	1	50	-1.0	-50.29	399.10	7.47	-42.82
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020305955	0	41	-1.0	-38.51	340.59	7.12	-31.39
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020305955	1	41	-1.0	-38.48	340.65	7.13	-31.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020305956	0	38	-1.0	-41.45	319.49	6.92	-34.53
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020305956	1	38	-1.0	-41.50	319.54	6.94	-34.56
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020305957	0	45	-1.0	-41.21	368.36	9.69	-31.52
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020305957	1	45	-1.0	-41.17	368.58	9.67	-31.50
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]21	REAL300020305958	0	44	-1.0	-48.32	359.90	1.69	-46.63
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]21	REAL300020305958	1	44	-1.0	-48.33	359.96	1.71	-46.62
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]12	REAL300020305959	0	44	-1.0	-49.65	359.41	2.10	-47.55
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]12	REAL300020305959	1	44	-1.0	-49.62	359.47	2.13	-47.49
O=S(=O)(C1CC1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020305960	0	48	-1.0	-43.77	408.65	4.49	-39.28
O=S(=O)(C1CC1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020305960	1	48	-1.0	-43.74	408.70	4.50	-39.24
O=S(=O)(C1CC1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020305961	0	45	-1.0	-45.44	382.62	3.96	-41.48
O=S(=O)(C1CC1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020305961	1	45	-1.0	-45.47	382.69	3.97	-41.50
CNC(=O)NCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305962	0	49	-1.0	-47.07	405.97	1.72	-45.35
CNC(=O)NCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305962	1	49	-1.0	-47.12	406.02	1.74	-45.38
CNC(=O)NCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020305963	0	46	-1.0	-49.75	388.89	0.85	-48.90
CNC(=O)NCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020305963	1	46	-1.0	-49.78	388.96	0.87	-48.91
CN1C2=CC=CC=C2CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020305964	0	47	-1.0	-40.41	372.26	7.13	-33.28
CN1C2=CC=CC=C2CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020305964	1	47	-1.0	-40.43	372.32	7.14	-33.29
CN1C2=CC=CC=C2CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020305965	0	44	-1.0	-43.47	355.66	6.52	-36.95
CN1C2=CC=CC=C2CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020305965	1	44	-1.0	-43.53	355.60	6.49	-37.04
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C(N)=O)O1	REAL300020305966	0	44	-1.0	-46.24	366.02	2.65	-43.59
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C(N)=O)O1	REAL300020305966	1	44	-1.0	-46.30	366.08	2.66	-43.64
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C(N)=O)O1	REAL300020305967	0	41	-1.0	-42.08	340.96	1.75	-40.33
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C(N)=O)O1	REAL300020305967	1	41	-1.0	-42.09	341.01	1.78	-40.31
CC1=NOC(C23CC(C2)CN3C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020305968	0	45	-1.0	-46.60	365.93	5.45	-41.15
CC1=NOC(C23CC(C2)CN3C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020305968	1	45	-1.0	-46.53	365.99	5.46	-41.07
CC1=NOC(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020305969	0	42	-1.0	-44.82	358.27	4.01	-40.81
CC1=NOC(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020305969	1	42	-1.0	-44.84	358.33	4.03	-40.81
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC1C(=O)OC(C)(C)C	REAL300020305970	0	54	-1.0	-40.95	422.17	8.89	-32.06
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC1C(=O)OC(C)(C)C	REAL300020305970	1	54	-1.0	-40.94	422.23	8.91	-32.03
CC1C(C(F)(F)F)OCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305971	0	43	-1.0	-39.96	356.77	5.18	-34.78
CC1C(C(F)(F)F)OCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305971	1	43	-1.0	-39.95	356.83	5.19	-34.76
CC1C(C(F)(F)F)OCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305972	0	40	-1.0	-41.22	329.02	4.50	-36.72
CC1C(C(F)(F)F)OCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305972	1	40	-1.0	-41.25	329.08	4.51	-36.74
COC(=O)C1(OC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305973	0	46	-1.0	-43.18	374.36	5.28	-37.90
COC(=O)C1(OC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305973	1	46	-1.0	-43.16	374.42	5.30	-37.86
COC(=O)C1(OC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020305974	0	43	-1.0	-42.63	347.53	4.60	-38.03
COC(=O)C1(OC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020305974	1	43	-1.0	-42.62	347.58	4.62	-38.00
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020305975	0	49	-1.0	-41.04	411.99	9.99	-31.05
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020305975	1	49	-1.0	-41.05	412.05	10.00	-31.05
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020305976	0	46	-1.0	-46.99	379.59	8.07	-38.92
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020305976	1	46	-1.0	-47.03	379.65	8.08	-38.95
COC(=O)N(C)CCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305977	0	46	-1.0	-47.64	383.17	5.43	-42.21
COC(=O)N(C)CCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305977	1	46	-1.0	-47.67	383.23	5.45	-42.22
COC(=O)N(C)CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305978	0	43	-1.0	-46.26	355.30	4.80	-41.46
COC(=O)N(C)CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305978	1	43	-1.0	-46.25	355.36	4.82	-41.43
NC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1C1CC1	REAL300020305979	0	49	-1.0	-43.66	391.52	1.70	-41.96
NC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1C1CC1	REAL300020305979	1	49	-1.0	-43.65	391.58	1.72	-41.93
NC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1C1CC1	REAL300020305980	0	46	-1.0	-45.40	373.74	1.05	-44.35
NC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1C1CC1	REAL300020305980	1	46	-1.0	-45.38	373.81	1.07	-44.31
CN(CC1(C)COC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305981	0	43	-1.0	-42.55	349.56	3.91	-38.64
CN(CC1(C)COC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305981	1	43	-1.0	-42.55	349.61	3.93	-38.62
CN(CC1(C)COC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305982	0	40	-1.0	-40.97	331.88	4.49	-36.48
CN(CC1(C)COC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305982	1	40	-1.0	-40.97	331.94	4.52	-36.45
CN(CC1(C)COC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020305983	0	47	-1.0	-42.06	377.01	7.36	-34.70
CN(CC1(C)COC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020305983	1	47	-1.0	-42.05	377.05	7.34	-34.71
CCC(CC)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305984	0	53	-1.0	-39.24	400.63	8.96	-30.28
CCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305984	1	53	-1.0	-39.27	400.68	8.98	-30.29
CCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305985	0	50	-1.0	-39.62	377.77	8.47	-31.15
CCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305985	1	50	-1.0	-39.64	377.83	8.49	-31.15
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020305986	0	49	-1.0	-39.03	389.72	9.08	-29.95
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020305986	1	49	-1.0	-39.00	389.77	9.09	-29.91
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020305987	0	46	-1.0	-40.70	368.18	8.29	-32.41
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020305987	1	46	-1.0	-40.70	368.24	8.31	-32.39
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020305988	0	53	-1.0	-40.84	412.26	11.00	-29.84
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020305988	1	53	-1.0	-40.80	412.26	10.99	-29.81
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020305989	0	45	-1.0	-42.67	372.71	6.96	-35.71
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020305989	1	45	-1.0	-42.65	372.78	6.97	-35.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020305990	0	42	-1.0	-43.38	350.77	6.35	-37.03
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020305990	1	42	-1.0	-43.39	350.82	6.37	-37.02
OC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020305991	0	41	-1.0	-41.44	347.65	4.73	-36.71
OC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020305991	1	41	-1.0	-41.41	347.71	4.74	-36.67
OC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020305992	0	38	-1.0	-42.64	325.60	3.92	-38.72
OC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020305992	1	38	-1.0	-42.61	325.55	3.89	-38.72
OC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CC2=C1	REAL300020305993	0	45	-1.0	-43.11	372.79	6.55	-36.56
OC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CC2=C1	REAL300020305993	1	45	-1.0	-43.10	372.81	6.54	-36.56
CCCCC(CC)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020305994	0	59	-1.0	-38.46	459.73	10.62	-27.84
CCCCC(CC)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020305994	1	59	-1.0	-38.47	459.79	10.64	-27.83
CCCCC(CC)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020305995	0	56	-1.0	-39.57	423.86	10.09	-29.48
CCCCC(CC)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020305995	1	56	-1.0	-39.57	423.92	10.11	-29.46
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C)(C(F)F)O1	REAL300020305996	0	46	-1.0	-41.61	378.92	6.26	-35.35
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C)(C(F)F)O1	REAL300020305996	1	46	-1.0	-41.60	378.98	6.28	-35.32
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C)(C(F)F)O1	REAL300020305997	0	43	-1.0	-41.49	346.32	5.14	-36.35
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C)(C(F)F)O1	REAL300020305997	1	43	-1.0	-41.50	346.38	5.17	-36.33
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020305998	0	51	-1.0	-45.73	407.32	8.90	-36.83
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C3O2)CC1	REAL300020305998	1	51	-1.0	-45.70	407.38	8.92	-36.78
O=C1CCCN1CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020305999	0	50	-1.0	-47.17	404.22	7.23	-39.94
O=C1CCCN1CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020305999	1	50	-1.0	-47.17	404.27	7.25	-39.92
O=C1CCCN1CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306000	0	47	-1.0	-50.21	382.72	6.45	-43.76
O=C1CCCN1CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306000	1	47	-1.0	-50.22	382.77	6.47	-43.75
O=C1CCCN1CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306001	0	50	-1.0	-47.17	404.22	7.23	-39.94
O=C1CCCN1CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306001	1	50	-1.0	-47.17	404.27	7.25	-39.92
O=C1CCCN1CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306002	0	47	-1.0	-50.21	382.72	6.45	-43.76
O=C1CCCN1CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306002	1	47	-1.0	-50.22	382.77	6.47	-43.75
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306003	0	43	-1.0	-40.08	358.90	8.13	-31.95
C=C(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306003	1	43	-1.0	-40.07	358.94	8.12	-31.95
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020306004	0	47	-1.0	-42.39	384.14	7.91	-34.48
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020306004	1	47	-1.0	-42.36	384.19	7.93	-34.43
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020306005	0	44	-1.0	-42.64	368.93	7.30	-35.34
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020306005	1	44	-1.0	-42.66	368.99	7.32	-35.34
CC1(C(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306006	0	43	-1.0	-39.43	361.54	5.66	-33.77
CC1(C(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306006	1	43	-1.0	-39.44	361.60	5.67	-33.77
CC1(C(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306007	0	40	-1.0	-43.06	339.93	4.87	-38.19
CC1(C(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306007	1	40	-1.0	-43.11	339.99	4.90	-38.21
CC(C)(C)OC(=O)C1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306008	0	54	-1.0	-42.32	424.09	8.45	-33.87
CC(C)(C)OC(=O)C1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306008	1	54	-1.0	-42.32	424.15	8.47	-33.85
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020306009	0	43	-1.0	-40.58	368.61	5.83	-34.75
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020306009	1	43	-1.0	-40.63	368.67	5.84	-34.79
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020306010	0	40	-1.0	-42.11	350.85	5.17	-36.94
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020306010	1	40	-1.0	-42.15	350.90	5.19	-36.96
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(CC(F)(F)F)O1	REAL300020306011	0	46	-1.0	-40.00	389.04	6.91	-33.09
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(CC(F)(F)F)O1	REAL300020306011	1	46	-1.0	-40.03	389.09	6.92	-33.11
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(CC(F)(F)F)O1	REAL300020306012	0	43	-1.0	-40.53	366.79	6.33	-34.20
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(CC(F)(F)F)O1	REAL300020306012	1	43	-1.0	-40.51	366.85	6.36	-34.15
CC(C)(C)C1=NN=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCN21	REAL300020306013	0	51	-1.0	-44.76	409.86	8.02	-36.74
CC(C)(C)C1=NN=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCN21	REAL300020306013	1	51	-1.0	-44.80	409.91	8.04	-36.76
CC(C)(C)C1=NN=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN21	REAL300020306014	0	48	-1.0	-44.64	382.41	7.38	-37.26
CC(C)(C)C1=NN=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN21	REAL300020306014	1	48	-1.0	-44.64	382.47	7.40	-37.24
CCC(CC)C(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306015	0	55	-1.0	-43.76	434.35	7.79	-35.97
CCC(CC)C(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306015	1	55	-1.0	-43.77	434.40	7.80	-35.97
CCC(CC)C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306016	0	52	-1.0	-46.83	409.54	6.80	-40.03
CCC(CC)C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306016	1	52	-1.0	-46.84	409.60	6.82	-40.02
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020306017	0	41	-1.0	-40.74	335.00	4.67	-36.07
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020306017	1	41	-1.0	-40.74	335.06	4.68	-36.06
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020306018	0	38	-1.0	-42.15	308.12	3.96	-38.19
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020306018	1	38	-1.0	-42.18	308.17	3.98	-38.20
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020306019	0	45	-1.0	-42.19	363.45	6.62	-35.57
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020306019	1	45	-1.0	-42.14	363.49	6.62	-35.52
CCCCCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306020	0	54	-1.0	-39.73	420.29	8.82	-30.91
CCCCCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306020	1	54	-1.0	-39.70	420.35	8.84	-30.86
CCCCCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306021	0	51	-1.0	-41.57	398.58	8.16	-33.41
CCCCCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306021	1	51	-1.0	-41.57	398.64	8.17	-33.40
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020306022	0	52	-1.0	-39.71	397.24	8.34	-31.37
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020306022	1	52	-1.0	-39.73	397.30	8.36	-31.37
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020306023	0	49	-1.0	-43.68	378.94	7.88	-35.80
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020306023	1	49	-1.0	-43.66	379.00	7.89	-35.77
CC(C)C1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=N1	REAL300020306024	0	50	-1.0	-40.39	413.37	7.69	-32.70
CC(C)C1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=N1	REAL300020306024	1	50	-1.0	-40.40	413.42	7.71	-32.69
CC(C)C1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=N1	REAL300020306025	0	47	-1.0	-42.86	385.99	6.87	-35.99
CC(C)C1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=N1	REAL300020306025	1	47	-1.0	-42.85	386.04	6.89	-35.96
CC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C(C)=C1	REAL300020306026	0	54	-1.0	-39.20	427.61	9.20	-30.00
CC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C(C)=C1	REAL300020306026	1	54	-1.0	-39.22	427.67	9.21	-30.01
CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C(C)=C1	REAL300020306027	0	51	-1.0	-41.11	414.90	8.47	-32.64
CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C(C)=C1	REAL300020306027	1	51	-1.0	-41.06	414.95	8.50	-32.56
CN1C=CC=C1C(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306028	0	48	-1.0	-45.22	394.25	6.56	-38.66
CN1C=CC=C1C(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306028	1	48	-1.0	-45.25	394.30	6.58	-38.67
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020306029	0	40	-1.0	-38.49	328.16	6.94	-31.55
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020306029	1	40	-1.0	-38.51	328.22	6.96	-31.55
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020306030	0	44	-1.0	-41.24	348.35	9.17	-32.07
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020306030	1	44	-1.0	-41.17	348.38	9.14	-32.03
CCC1=NOC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020306031	0	50	-1.0	-46.26	409.93	6.24	-40.02
CCC1=NOC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020306031	1	50	-1.0	-46.30	409.98	6.26	-40.04
CN1N=CC=C1CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306032	0	52	-1.0	-44.35	417.59	7.90	-36.45
CN1N=CC=C1CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306032	1	52	-1.0	-44.36	417.65	7.92	-36.44
CN1N=CC=C1CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306033	0	49	-1.0	-45.14	393.98	7.51	-37.63
CN1N=CC=C1CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306033	1	49	-1.0	-45.18	394.03	7.54	-37.64
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Br)=C2C1	REAL300020306034	0	37	-1.0	-40.58	335.79	5.29	-35.29
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Br)=C2C1	REAL300020306034	1	37	-1.0	-40.63	335.85	5.31	-35.32
CCN(CC1=CN(CC)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306035	0	48	-1.0	-41.63	392.39	6.49	-35.14
CCN(CC1=CN(CC)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306035	1	48	-1.0	-41.61	392.34	6.47	-35.14
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306036	0	45	-1.0	-43.43	370.86	5.71	-37.72
CCN(CC1=CN(CC)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306036	1	45	-1.0	-43.40	370.81	5.68	-37.72
CC1=NN=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)S1	REAL300020306037	0	40	-1.0	-42.94	359.57	4.71	-38.23
CC1=NN=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)S1	REAL300020306037	1	40	-1.0	-42.99	359.62	4.73	-38.26
CC1=NN=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)S1	REAL300020306038	0	37	-1.0	-42.22	332.50	4.25	-37.97
CC1=NN=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)S1	REAL300020306038	1	37	-1.0	-42.25	332.55	4.27	-37.98
CC12CC(C1)CN2C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306039	0	40	-1.0	-40.70	324.20	6.32	-34.38
CC12CC(C1)CN2C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306039	1	40	-1.0	-40.67	324.26	6.33	-34.34
CC12CC(C1)CN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306040	0	44	-1.0	-41.25	355.66	8.19	-33.06
CC12CC(C1)CN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306040	1	44	-1.0	-41.23	355.71	8.18	-33.05
OC1=CC=C2OCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020306041	0	45	-1.0	-40.30	369.62	4.21	-36.09
OC1=CC=C2OCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020306041	1	45	-1.0	-40.35	369.68	4.23	-36.12
OC1=CC=C2OCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020306042	0	42	-1.0	-44.27	350.08	3.82	-40.45
OC1=CC=C2OCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020306042	1	42	-1.0	-44.23	350.03	3.81	-40.42
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020306043	0	47	-1.0	-42.80	393.81	7.99	-34.81
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020306043	1	47	-1.0	-42.81	393.87	8.01	-34.80
CN(CC1=CCSC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306044	0	41	-1.0	-40.74	350.72	7.40	-33.34
CN(CC1=CCSC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306044	1	41	-1.0	-40.74	350.77	7.42	-33.32
CN(CC1=CCSC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306045	0	38	-1.0	-40.68	333.19	6.70	-33.98
CN(CC1=CCSC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306045	1	38	-1.0	-40.63	333.13	6.69	-33.94
CN(CC1=CCSC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306046	0	45	-1.0	-42.22	381.01	9.47	-32.75
CN(CC1=CCSC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306046	1	45	-1.0	-42.25	381.04	9.46	-32.79
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020306047	0	44	-1.0	-40.26	343.09	5.08	-35.18
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020306047	1	44	-1.0	-40.26	343.15	5.09	-35.17
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020306048	0	41	-1.0	-42.20	321.60	4.29	-37.91
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020306048	1	41	-1.0	-42.24	321.66	4.32	-37.92
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020306049	0	48	-1.0	-42.37	370.37	7.02	-35.35
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020306049	1	48	-1.0	-42.31	370.39	7.01	-35.30
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020306050	0	49	-1.0	-39.71	392.14	8.67	-31.04
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020306050	1	49	-1.0	-39.67	392.20	8.69	-30.98
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020306051	0	46	-1.0	-41.82	369.38	8.25	-33.57
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020306051	1	46	-1.0	-41.81	369.44	8.27	-33.54
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020306052	0	53	-1.0	-41.17	419.45	10.59	-30.58
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020306052	1	53	-1.0	-41.23	419.26	10.55	-30.68
COCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306053	0	49	-1.0	-39.84	395.51	6.62	-33.22
COCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306053	1	49	-1.0	-39.82	395.57	6.63	-33.19
COCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306054	0	46	-1.0	-42.77	370.87	5.94	-36.83
COCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306054	1	46	-1.0	-42.79	370.92	5.97	-36.82
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020306055	0	45	-1.0	-44.82	380.12	5.58	-39.24
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020306055	1	45	-1.0	-44.81	380.06	5.57	-39.24
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020306056	0	42	-1.0	-47.19	358.64	4.81	-42.38
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020306056	1	42	-1.0	-47.12	358.59	4.78	-42.34
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300020306057	0	46	-1.0	-44.64	390.93	9.06	-35.58
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300020306057	1	46	-1.0	-44.65	390.99	9.08	-35.57
O=C1OCCN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306058	0	48	-1.0	-47.97	388.52	6.22	-41.75
O=C1OCCN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306058	1	48	-1.0	-47.98	388.58	6.23	-41.75
O=C1OCCN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306059	0	45	-1.0	-51.60	368.18	5.47	-46.13
O=C1OCCN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306059	1	45	-1.0	-51.64	368.23	5.50	-46.14
CCCCCCC(CC)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306060	0	59	-1.0	-39.42	450.11	11.12	-28.30
CCCCCCC(CC)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306060	1	59	-1.0	-39.40	450.17	11.13	-28.27
CCCCCCC(CC)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306061	0	56	-1.0	-39.69	427.69	10.61	-29.08
CCCCCCC(CC)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306061	1	56	-1.0	-39.70	427.75	10.62	-29.08
C#CCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306062	0	44	-1.0	-41.42	370.67	5.29	-36.13
C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306062	1	44	-1.0	-41.40	370.73	5.31	-36.09
C#CCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306063	0	41	-1.0	-43.46	349.12	4.50	-38.96
C#CCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306063	1	41	-1.0	-43.45	349.18	4.53	-38.92
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306064	0	48	-1.0	-42.65	398.19	7.44	-35.21
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306064	1	48	-1.0	-42.68	398.22	7.43	-35.25
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306065	0	43	-1.0	-39.70	356.20	7.24	-32.46
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306065	1	43	-1.0	-39.76	356.26	7.26	-32.50
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306066	0	40	-1.0	-42.69	330.75	7.70	-34.99
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306066	1	40	-1.0	-42.73	330.69	7.67	-35.06
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306067	0	47	-1.0	-41.10	384.53	9.21	-31.89
C[C@@H]1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306067	1	47	-1.0	-41.13	384.63	9.20	-31.93
CC1COC2(CCCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306068	0	50	-1.0	-39.60	389.75	6.18	-33.42
CC1COC2(CCCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306068	1	50	-1.0	-39.66	389.80	6.20	-33.46
CC1COC2(CCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306069	0	47	-1.0	-41.80	372.42	5.63	-36.17
CC1COC2(CCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306069	1	47	-1.0	-41.77	372.47	5.66	-36.11
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020306070	0	55	-1.0	-39.48	417.15	9.99	-29.49
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020306070	1	55	-1.0	-39.52	417.21	10.01	-29.51
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020306071	0	52	-1.0	-40.74	398.02	9.27	-31.47
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020306071	1	52	-1.0	-40.78	398.08	9.30	-31.48
CC(C)CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306072	0	48	-1.0	-47.22	404.85	9.03	-38.19
CC(C)CN(CC1=CC=CC(Cl)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306072	1	48	-1.0	-47.23	404.91	9.06	-38.17
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306073	0	49	-1.0	-41.41	382.97	9.54	-31.87
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306073	1	49	-1.0	-41.46	383.03	9.56	-31.90
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306074	0	46	-1.0	-43.95	369.22	8.65	-35.30
CC(C1CC2=CC=CC=C21)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306074	1	46	-1.0	-43.98	369.28	8.68	-35.30
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020306075	0	47	-1.0	-41.63	384.09	9.21	-32.42
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020306075	1	47	-1.0	-41.60	384.15	9.22	-32.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020306076	0	44	-1.0	-45.40	362.69	8.46	-36.94
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020306076	1	44	-1.0	-45.41	362.63	8.44	-36.97
COC(=O)NC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306077	0	47	-1.0	-44.23	393.39	4.08	-40.15
COC(=O)NC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306077	1	47	-1.0	-44.22	393.44	4.09	-40.13
COC(=O)NC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306078	0	44	-1.0	-45.12	368.75	3.40	-41.72
COC(=O)NC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306078	1	44	-1.0	-45.14	368.80	3.43	-41.71
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020306079	0	51	-1.0	-39.26	402.19	8.18	-31.08
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020306079	1	51	-1.0	-39.27	402.24	8.19	-31.08
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020306080	0	48	-1.0	-40.85	381.26	7.17	-33.68
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020306080	1	48	-1.0	-40.86	381.33	7.19	-33.67
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306081	0	51	-1.0	-40.98	414.20	6.11	-34.87
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306081	1	51	-1.0	-41.01	414.25	6.12	-34.89
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306082	0	48	-1.0	-42.58	398.15	5.12	-37.46
COC1=NC(C)=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306082	1	48	-1.0	-42.61	398.21	5.14	-37.47
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020306083	0	45	-1.0	-40.30	356.34	5.99	-34.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020306083	1	45	-1.0	-40.28	356.39	6.00	-34.28
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020306084	0	42	-1.0	-42.10	329.41	5.30	-36.80
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020306084	1	42	-1.0	-42.12	329.47	5.33	-36.79
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C3COCC3C2C1	REAL300020306085	0	49	-1.0	-41.90	384.77	7.97	-33.93
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C3COCC3C2C1	REAL300020306085	1	49	-1.0	-41.88	384.81	7.96	-33.92
NC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306086	0	47	-1.0	-48.61	382.08	4.39	-44.22
NC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306086	1	47	-1.0	-48.59	382.13	4.41	-44.18
NC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306087	0	44	-1.0	-50.02	361.75	4.50	-45.52
NC(=O)C1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306087	1	44	-1.0	-50.05	361.80	4.52	-45.53
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020306088	0	51	-1.0	-39.57	382.60	6.43	-33.14
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020306088	1	51	-1.0	-39.61	382.66	6.44	-33.17
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020306089	0	48	-1.0	-40.80	365.91	5.79	-35.01
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23COCC2(C1)CCCC3	REAL300020306089	1	48	-1.0	-40.80	365.96	5.82	-34.98
CN(CC1CC1(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306090	0	45	-1.0	-38.71	372.20	7.67	-31.04
CN(CC1CC1(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306090	1	45	-1.0	-38.72	372.25	7.69	-31.03
CN(CC1CC1(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306091	0	42	-1.0	-40.08	350.70	6.90	-33.18
CN(CC1CC1(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306091	1	42	-1.0	-40.10	350.76	6.93	-33.17
CN(CC1CC1(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306092	0	49	-1.0	-41.45	387.43	9.71	-31.74
CN(CC1CC1(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306092	1	49	-1.0	-41.39	387.47	9.70	-31.69
OCC1CC2CCC1N(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306093	0	47	-1.0	-39.44	365.11	4.62	-34.82
OCC1CC2CCC1N(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306093	1	47	-1.0	-39.40	365.17	4.63	-34.77
OCC1CC2CCC1N(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306094	0	44	-1.0	-42.50	338.61	4.06	-38.44
OCC1CC2CCC1N(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306094	1	44	-1.0	-42.49	338.66	4.09	-38.40
OCC1CC2CCC1N(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CCF)C2	REAL300020306095	0	51	-1.0	-41.57	372.76	5.15	-36.42
OCC1CC2CCC1N(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CCF)C2	REAL300020306095	1	51	-1.0	-41.54	372.79	5.14	-36.40
CCN(CCOC1=CC=CC=C1OC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306096	0	50	-1.0	-45.76	416.25	7.32	-38.44
CCN(CCOC1=CC=CC=C1OC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306096	1	50	-1.0	-45.75	416.30	7.34	-38.41
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CCC3=N[N-]N=N3)N2CCF)O1	REAL300020306097	0	45	-1.0	-45.49	376.90	1.96	-43.53
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CCC3=NN=N[N-]3)N2CCF)O1	REAL300020306097	1	45	-1.0	-45.50	376.96	1.97	-43.53
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CC3=N[N-]N=N3)N2CCF)O1	REAL300020306098	0	42	-1.0	-48.54	356.09	1.28	-47.26
CC1=NN=C(C23CC(C2)CN3C2=NN=C(CC3=NN=N[N-]3)N2CCF)O1	REAL300020306098	1	42	-1.0	-48.55	356.15	1.31	-47.24
C[NH+](C)CCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306099	0	55	0.0	-65.04	431.26	7.43	-57.61
C[NH+](C)CCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306099	1	55	0.0	-65.07	431.31	7.44	-57.63
C[NH+](C)CCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306100	0	52	0.0	-63.52	413.53	6.76	-56.76
C[NH+](C)CCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306100	1	52	0.0	-63.58	413.58	6.79	-56.79
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020306101	0	43	-1.0	-39.03	334.77	7.91	-31.12
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020306101	1	43	-1.0	-39.00	334.82	7.92	-31.08
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C2)C1	REAL300020306102	0	40	-1.0	-42.04	318.43	7.29	-34.75
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C2)C1	REAL300020306102	1	40	-1.0	-42.05	318.49	7.31	-34.74
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020306103	0	47	-1.0	-40.83	366.57	10.06	-30.77
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C2)C1	REAL300020306103	1	47	-1.0	-40.85	366.61	10.05	-30.80
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306104	0	52	-1.0	-48.77	416.29	6.18	-42.59
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306104	1	52	-1.0	-48.80	416.34	6.19	-42.61
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306105	0	49	-1.0	-48.00	397.56	5.38	-42.62
CC(C)NC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306105	1	49	-1.0	-47.97	397.61	5.41	-42.56
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306106	0	52	-1.0	-48.97	417.80	6.25	-42.72
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306106	1	52	-1.0	-48.97	417.85	6.27	-42.70
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306107	0	49	-1.0	-46.20	380.21	4.98	-41.22
CC(C)NC(=O)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306107	1	49	-1.0	-46.22	380.28	4.99	-41.23
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020306108	0	41	-1.0	-45.40	341.15	3.66	-41.74
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020306108	1	41	-1.0	-45.34	341.20	3.67	-41.67
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020306109	0	38	-1.0	-47.21	315.55	2.94	-44.27
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020306109	1	38	-1.0	-47.19	315.49	2.92	-44.27
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020306110	0	45	-1.0	-43.40	378.72	6.68	-36.72
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020306110	1	45	-1.0	-43.41	378.77	6.67	-36.74
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300020306111	0	49	-1.0	-46.26	402.00	9.09	-37.17
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CC3=CC=CC=C3O2)CC1	REAL300020306111	1	49	-1.0	-46.24	402.07	9.11	-37.13
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306112	0	43	-1.0	-39.92	351.81	7.06	-32.86
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306112	1	43	-1.0	-39.89	351.87	7.07	-32.82
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306113	0	40	-1.0	-42.13	336.11	7.58	-34.55
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306113	1	40	-1.0	-42.10	336.06	7.56	-34.54
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306114	0	47	-1.0	-40.93	383.47	9.30	-31.63
C[C@H]1C2=CC=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306114	1	47	-1.0	-40.90	383.51	9.30	-31.60
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@@H]1C	REAL300020306115	0	48	-1.0	-40.37	385.04	7.51	-32.86
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020306115	1	48	-1.0	-40.41	385.09	7.53	-32.88
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@@H]1C	REAL300020306116	0	45	-1.0	-40.91	363.03	6.95	-33.96
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020306116	1	45	-1.0	-40.87	363.09	6.96	-33.91
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306117	0	51	-1.0	-44.03	384.76	5.56	-38.47
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306117	1	51	-1.0	-44.01	384.82	5.57	-38.44
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306118	0	48	-1.0	-46.43	373.76	5.20	-41.23
CN(C)C(=O)N(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306118	1	48	-1.0	-46.43	373.82	5.23	-41.20
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306119	0	51	-1.0	-41.39	393.84	8.61	-32.78
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306119	1	51	-1.0	-41.43	393.90	8.62	-32.81
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306120	0	48	-1.0	-42.89	380.73	8.16	-34.73
CN(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306120	1	48	-1.0	-42.88	380.79	8.18	-34.70
CN(CC(=O)N1CCCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306121	0	46	-1.0	-41.20	378.10	5.88	-35.32
CN(CC(=O)N1CCCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306121	1	46	-1.0	-41.18	378.16	5.90	-35.28
CN(CC(=O)N1CCCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306122	0	43	-1.0	-44.16	360.66	5.20	-38.96
CN(CC(=O)N1CCCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306122	1	43	-1.0	-44.17	360.72	5.23	-38.94
CN(CC(=O)N1CCCC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306123	0	50	-1.0	-42.90	404.26	8.17	-34.73
CN(CC(=O)N1CCCC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306123	1	50	-1.0	-42.92	404.31	8.16	-34.76
CC(C)CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306124	0	52	-1.0	-40.07	408.93	7.54	-32.53
CC(C)CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306124	1	52	-1.0	-40.07	408.99	7.56	-32.51
CC(C)CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306125	0	49	-1.0	-43.73	390.84	6.92	-36.81
CC(C)CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306125	1	49	-1.0	-43.75	390.89	6.94	-36.81
O=C1NCCN1C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306126	0	49	-1.0	-50.59	395.79	4.83	-45.76
O=C1NCCN1C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306126	1	49	-1.0	-50.58	395.85	4.84	-45.74
O=C1NCCN1C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306127	0	46	-1.0	-52.67	375.13	3.85	-48.82
O=C1NCCN1C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306127	1	46	-1.0	-52.66	375.18	3.87	-48.79
CS(=O)(=O)NC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306128	0	47	-1.0	-49.42	395.44	2.41	-47.01
CS(=O)(=O)NC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306128	1	47	-1.0	-49.39	395.50	2.42	-46.97
CS(=O)(=O)NC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306129	0	44	-1.0	-53.11	374.46	1.43	-51.68
CS(=O)(=O)NC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306129	1	44	-1.0	-53.08	374.52	1.45	-51.63
O=C(NCCO)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306130	0	50	-1.0	-46.00	409.67	2.08	-43.92
O=C(NCCO)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306130	1	50	-1.0	-45.96	409.72	2.10	-43.86
O=C(NCCO)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306131	0	47	-1.0	-49.43	388.63	1.30	-48.13
O=C(NCCO)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306131	1	47	-1.0	-49.39	388.68	1.33	-48.06
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020306132	0	42	-1.0	-40.55	356.04	7.37	-33.18
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020306132	1	42	-1.0	-40.62	356.10	7.39	-33.23
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020306133	0	39	-1.0	-41.87	334.51	6.46	-35.41
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(F)(F)F)C1	REAL300020306133	1	39	-1.0	-41.87	334.57	6.48	-35.39
CC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306134	0	42	-1.0	-41.18	348.29	6.92	-34.26
CC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306134	1	42	-1.0	-41.20	348.35	6.93	-34.27
CC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306135	0	39	-1.0	-43.27	326.81	6.13	-37.14
CC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306135	1	39	-1.0	-43.32	326.87	6.16	-37.16
CC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020306136	0	46	-1.0	-42.82	375.23	8.88	-33.94
CC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020306136	1	46	-1.0	-42.78	375.26	8.88	-33.90
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306137	0	48	-1.0	-39.38	371.60	9.36	-30.02
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306137	1	48	-1.0	-39.38	371.66	9.37	-30.01
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306138	0	45	-1.0	-41.15	359.49	7.79	-33.36
CC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306138	1	45	-1.0	-41.15	359.44	7.76	-33.39
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306139	0	48	-1.0	-39.00	387.48	8.59	-30.41
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306139	1	48	-1.0	-38.99	387.54	8.60	-30.39
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306140	0	45	-1.0	-41.10	360.49	7.83	-33.27
CC1=CC=CC=C1[C@@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306140	1	45	-1.0	-41.06	360.46	7.82	-33.24
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020306141	0	46	-1.0	-39.02	361.71	8.37	-30.65
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020306141	1	46	-1.0	-39.05	361.77	8.39	-30.66
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)CC1	REAL300020306142	0	43	-1.0	-42.31	332.75	6.81	-35.50
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)CC1	REAL300020306142	1	43	-1.0	-42.33	332.80	6.84	-35.49
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020306143	0	50	-1.0	-41.80	381.74	9.52	-32.28
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)CC1	REAL300020306143	1	50	-1.0	-41.80	381.77	9.51	-32.29
CC=CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306144	0	49	-1.0	-38.68	397.19	9.19	-29.49
CC=CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306144	1	49	-1.0	-38.67	397.25	9.21	-29.46
CC=CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306145	0	46	-1.0	-41.40	375.36	8.15	-33.25
CC=CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306145	1	46	-1.0	-41.36	375.42	8.18	-33.18
CC=CCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020306146	0	53	-1.0	-40.24	422.93	11.13	-29.11
CC=CCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020306146	1	53	-1.0	-40.23	422.95	11.12	-29.11
COC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C=C1F	REAL300020306147	0	47	-1.0	-45.90	385.91	7.52	-38.38
COC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C=C1F	REAL300020306147	1	47	-1.0	-45.91	385.96	7.54	-38.37
CNS(=O)(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306148	0	47	-1.0	-47.80	391.37	2.52	-45.28
CNS(=O)(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306148	1	47	-1.0	-47.83	391.43	2.54	-45.29
COCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306149	0	47	-1.0	-40.21	383.00	4.79	-35.42
COCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306149	1	47	-1.0	-40.20	383.06	4.80	-35.40
COCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306150	0	44	-1.0	-41.73	361.50	4.00	-37.73
COCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306150	1	44	-1.0	-41.73	361.55	4.03	-37.70
N#CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306151	0	47	-1.0	-50.52	390.97	8.59	-41.93
N#CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306151	1	47	-1.0	-50.55	391.03	8.61	-41.94
N#CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306152	0	44	-1.0	-49.03	370.88	8.73	-40.30
N#CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306152	1	44	-1.0	-49.06	370.93	8.75	-40.31
NC(=O)CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306153	0	44	-1.0	-45.59	366.93	2.38	-43.21
NC(=O)CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306153	1	44	-1.0	-45.61	366.99	2.39	-43.22
NC(=O)CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306154	0	41	-1.0	-45.62	349.83	1.51	-44.11
NC(=O)CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306154	1	41	-1.0	-45.67	349.89	1.54	-44.13
CCC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020306155	0	55	-1.0	-39.35	438.99	11.28	-28.07
CCC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020306155	1	55	-1.0	-39.35	439.05	11.30	-28.05
CCC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020306156	0	52	-1.0	-41.08	416.61	10.64	-30.44
CCC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020306156	1	52	-1.0	-41.09	416.66	10.66	-30.43
CCC1([NH+]2CCOCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306157	0	56	0.0	-67.68	394.55	6.16	-61.52
CCC1([NH+]2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306157	1	56	0.0	-67.70	394.60	6.18	-61.52
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2=CC=CC=C21	REAL300020306158	0	46	-1.0	-42.89	370.48	11.14	-31.75
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2=CC=CC=C21	REAL300020306158	1	46	-1.0	-42.89	370.53	11.16	-31.73
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2=CC=CC=C21	REAL300020306159	0	43	-1.0	-45.62	349.00	10.38	-35.24
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2=CC=CC=C21	REAL300020306159	1	43	-1.0	-45.58	348.94	10.36	-35.22
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020306160	0	50	-1.0	-39.75	380.74	8.37	-31.38
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020306160	1	50	-1.0	-39.79	380.80	8.38	-31.41
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020306161	0	47	-1.0	-41.86	364.76	7.77	-34.09
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020306161	1	47	-1.0	-41.88	364.82	7.80	-34.08
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306162	0	54	0.0	-67.45	386.58	7.49	-59.96
CCC1([NH+](C)C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306162	1	54	0.0	-67.51	386.63	7.50	-60.01
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306163	0	51	0.0	-65.83	367.92	6.92	-58.91
CCC1([NH+](C)C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306163	1	51	0.0	-65.82	367.98	6.95	-58.87
CC1CC(F)(F)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306164	0	42	-1.0	-39.63	338.03	5.67	-33.96
CC1CC(F)(F)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306164	1	42	-1.0	-39.62	338.08	5.68	-33.94
CC1CC(F)(F)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306165	0	39	-1.0	-41.55	323.00	5.25	-36.30
CC1CC(F)(F)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306165	1	39	-1.0	-41.60	323.05	5.28	-36.32
CC1CC(F)(F)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306166	0	46	-1.0	-42.16	378.34	8.05	-34.11
CC1CC(F)(F)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306166	1	46	-1.0	-42.07	378.40	8.04	-34.03
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300020306167	0	43	-1.0	-43.72	367.26	7.63	-36.09
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300020306167	1	43	-1.0	-43.72	367.32	7.66	-36.06
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300020306168	0	43	-1.0	-45.74	360.47	7.35	-38.39
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300020306168	1	43	-1.0	-45.77	360.53	7.37	-38.40
OC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306169	0	44	-1.0	-40.68	370.37	5.60	-35.08
OC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306169	1	44	-1.0	-40.71	370.43	5.61	-35.10
OC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306170	0	41	-1.0	-43.37	342.81	4.97	-38.40
OC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306170	1	41	-1.0	-43.34	342.75	4.93	-38.41
CC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306171	0	55	0.0	-63.57	407.78	8.42	-55.15
CC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306171	1	55	0.0	-63.60	407.83	8.43	-55.17
CC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306172	0	52	0.0	-65.34	374.44	7.73	-57.61
CC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306172	1	52	0.0	-65.37	374.50	7.75	-57.62
OC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1C(F)(F)F	REAL300020306173	0	43	-1.0	-42.93	364.07	3.57	-39.36
OC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1C(F)(F)F	REAL300020306173	1	43	-1.0	-42.97	364.12	3.59	-39.38
OC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1C(F)(F)F	REAL300020306174	0	40	-1.0	-44.26	337.24	2.90	-41.36
OC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1C(F)(F)F	REAL300020306174	1	40	-1.0	-44.27	337.29	2.92	-41.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300020306175	0	43	-1.0	-43.17	365.28	8.53	-34.64
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300020306175	1	43	-1.0	-43.21	365.34	8.55	-34.66
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020306176	0	48	-1.0	-42.22	401.49	7.69	-34.53
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020306176	1	48	-1.0	-42.26	401.55	7.70	-34.56
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020306177	0	45	-1.0	-43.62	379.71	7.09	-36.53
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020306177	1	45	-1.0	-43.59	379.77	7.10	-36.49
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306178	0	58	0.0	-63.29	413.82	8.57	-54.72
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306178	1	58	0.0	-63.30	413.88	8.58	-54.72
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306179	0	55	0.0	-62.26	395.46	7.90	-54.36
CCC1([NH+]2CCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306179	1	55	0.0	-62.25	395.52	7.92	-54.33
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306180	0	51	-1.0	-48.15	396.10	6.01	-42.14
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306180	1	51	-1.0	-48.16	396.16	6.04	-42.12
CCON1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306181	0	45	-1.0	-38.89	374.70	5.04	-33.85
CCON1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306181	1	45	-1.0	-38.91	374.76	5.05	-33.86
CCON1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306182	0	42	-1.0	-40.49	353.22	4.25	-36.24
CCON1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306182	1	42	-1.0	-40.48	353.27	4.28	-36.20
CCON1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020306183	0	49	-1.0	-40.49	403.05	7.05	-33.44
CCON1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020306183	1	49	-1.0	-40.44	403.09	7.04	-33.40
FCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306184	0	45	-1.0	-39.96	368.43	7.70	-32.26
FCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306184	1	45	-1.0	-39.96	368.49	7.72	-32.24
FCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306185	0	42	-1.0	-41.85	346.92	6.92	-34.93
FCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306185	1	42	-1.0	-41.82	346.98	6.94	-34.88
FCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020306186	0	49	-1.0	-41.56	395.36	9.67	-31.89
FCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020306186	1	49	-1.0	-41.52	395.39	9.67	-31.85
CCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306187	0	47	-1.0	-40.44	385.86	4.93	-35.51
CCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306187	1	47	-1.0	-40.44	385.92	4.94	-35.50
CCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306188	0	44	-1.0	-42.54	365.25	4.17	-38.37
CCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306188	1	44	-1.0	-42.58	365.31	4.20	-38.38
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306189	0	58	0.0	-64.47	435.22	7.03	-57.44
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306189	1	58	0.0	-64.49	435.28	7.05	-57.44
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306190	0	55	0.0	-68.02	422.64	6.56	-61.46
COCCN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306190	1	55	0.0	-67.99	422.70	6.58	-61.41
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020306191	0	43	-1.0	-41.62	355.58	7.92	-33.70
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020306191	1	43	-1.0	-41.61	355.63	7.93	-33.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020306192	0	40	-1.0	-42.95	329.75	7.23	-35.72
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020306192	1	40	-1.0	-42.92	329.80	7.26	-35.66
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300020306193	0	51	-1.0	-42.25	408.21	8.92	-33.33
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC3=CC=CC=C3O2)C1	REAL300020306193	1	51	-1.0	-42.29	408.27	8.95	-33.34
CC1([NH+]2CCOCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306194	0	56	0.0	-66.42	410.57	6.56	-59.86
CC1(N2CCOCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306194	1	55	-1.0	-39.21	412.42	4.54	-34.67
CC1(N2CCOCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306194	1	55	-1.0	-39.25	412.48	4.55	-34.70
CC1([NH+]2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306195	0	53	0.0	-65.13	392.83	5.91	-59.22
CC1(N2CCOCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306195	1	52	-1.0	-41.45	387.22	3.87	-37.58
CC1(N2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306195	1	52	-1.0	-41.42	387.28	3.89	-37.53
CC(=O)NCC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306196	0	50	-1.0	-47.35	410.96	3.54	-43.81
CC(=O)NCC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306196	1	50	-1.0	-47.41	411.01	3.57	-43.84
CSC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306197	0	43	-1.0	-39.12	360.04	7.42	-31.70
CSC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306197	1	43	-1.0	-39.09	360.10	7.43	-31.66
CSC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306198	0	40	-1.0	-41.71	339.70	6.67	-35.04
CSC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306198	1	40	-1.0	-41.71	339.76	6.69	-35.02
CSC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020306199	0	47	-1.0	-41.43	380.52	9.42	-32.01
CSC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020306199	1	47	-1.0	-41.37	380.56	9.41	-31.96
CC1(C)C(C2=CC=C(F)C=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306200	0	49	-1.0	-40.96	385.80	8.46	-32.50
CC1(C)C(C2=CC=C(F)C=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306200	1	49	-1.0	-40.98	385.86	8.47	-32.51
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCCC1	REAL300020306201	0	54	-1.0	-38.76	409.38	11.41	-27.35
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCCC1	REAL300020306201	1	54	-1.0	-38.78	409.44	11.42	-27.36
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCCC1	REAL300020306202	0	51	-1.0	-39.67	387.50	10.61	-29.06
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCCCC1	REAL300020306202	1	51	-1.0	-39.70	387.58	10.63	-29.07
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)[C@H]1C[C@@H](C(N)=O)C1	REAL300020306203	0	43	-1.0	-42.70	357.79	2.80	-39.90
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)[C@H]1C[C@@H](C(N)=O)C1	REAL300020306203	1	43	-1.0	-42.75	357.84	2.81	-39.94
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)[C@H]1C[C@@H](C(N)=O)C1	REAL300020306204	0	40	-1.0	-43.11	334.08	2.20	-40.91
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)[C@H]1C[C@@H](C(N)=O)C1	REAL300020306204	1	40	-1.0	-43.14	334.14	2.21	-40.93
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)[C@H]1C[C@@H](C(N)=O)C1	REAL300020306205	0	47	-1.0	-45.46	385.34	5.12	-40.34
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)[C@H]1C[C@@H](C(N)=O)C1	REAL300020306205	1	47	-1.0	-45.43	385.36	5.11	-40.32
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306206	0	46	-1.0	-50.16	363.26	5.22	-44.94
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306206	1	46	-1.0	-50.15	363.32	5.23	-44.92
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306207	0	43	-1.0	-48.79	341.56	4.68	-44.11
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306207	1	43	-1.0	-48.77	341.62	4.69	-44.08
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306208	0	50	-1.0	-50.34	399.07	7.48	-42.86
CN(C)C(=O)[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306208	1	50	-1.0	-50.29	399.10	7.47	-42.82
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCC1C#N	REAL300020306209	0	43	-1.0	-46.25	345.98	6.99	-39.26
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCC1C#N	REAL300020306209	1	43	-1.0	-46.27	346.04	7.01	-39.26
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCC1C#N	REAL300020306210	0	40	-1.0	-44.41	325.17	6.44	-37.97
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCCC1C#N	REAL300020306210	1	40	-1.0	-44.37	325.21	6.44	-37.93
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCCC1C#N	REAL300020306211	0	47	-1.0	-43.70	382.77	9.35	-34.35
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCCC1C#N	REAL300020306211	1	47	-1.0	-43.64	382.80	9.34	-34.30
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300020306212	0	43	-1.0	-44.46	366.99	7.62	-36.84
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300020306212	1	43	-1.0	-44.47	367.01	7.65	-36.82
NC(=O)CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306213	0	50	-1.0	-51.34	408.27	5.03	-46.31
NC(=O)CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306213	1	50	-1.0	-51.34	408.33	5.05	-46.29
NC(=O)CC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306214	0	47	-1.0	-50.23	387.85	5.03	-45.20
NC(=O)CC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306214	1	47	-1.0	-50.18	387.91	5.06	-45.12
CC(=O)NC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020306215	0	50	-1.0	-43.59	414.40	7.44	-36.15
CC(=O)NC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020306215	1	50	-1.0	-43.57	414.45	7.45	-36.12
CC(=O)NC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020306216	0	47	-1.0	-51.57	381.43	5.96	-45.61
CC(=O)NC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020306216	1	47	-1.0	-51.54	381.49	5.98	-45.56
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)[C@@H]1O	REAL300020306217	0	50	-1.0	-43.08	366.65	5.43	-37.65
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)[C@@H]1O	REAL300020306217	1	50	-1.0	-43.08	366.71	5.44	-37.64
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)[C@@H]1O	REAL300020306218	0	47	-1.0	-44.56	358.68	5.14	-39.42
CC1(C)[C@H]2[C@H](CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)[C@@H]1O	REAL300020306218	1	47	-1.0	-44.61	358.74	5.16	-39.45
COC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020306219	0	46	-1.0	-40.41	381.06	7.34	-33.07
COC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020306219	1	46	-1.0	-40.41	381.11	7.36	-33.05
COC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020306220	0	43	-1.0	-41.43	365.89	6.49	-34.94
COC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020306220	1	43	-1.0	-41.44	365.83	6.46	-34.98
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020306221	0	41	-1.0	-40.46	330.86	5.54	-34.92
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020306221	1	41	-1.0	-40.39	330.92	5.56	-34.83
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020306222	0	38	-1.0	-42.10	313.79	4.68	-37.42
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020306222	1	38	-1.0	-42.13	313.85	4.70	-37.43
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020306223	0	45	-1.0	-41.95	362.16	7.45	-34.50
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020306223	1	45	-1.0	-41.96	362.20	7.45	-34.51
COCC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=N1	REAL300020306224	0	48	-1.0	-42.26	405.50	5.46	-36.80
COCC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=N1	REAL300020306224	1	48	-1.0	-42.26	405.56	5.47	-36.79
COCC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=N1	REAL300020306225	0	45	-1.0	-44.72	378.13	4.63	-40.09
COCC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=N1	REAL300020306225	1	45	-1.0	-44.76	378.19	4.66	-40.10
COC(=O)[C@@]1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@@H]1C	REAL300020306226	0	48	-1.0	-42.51	385.44	7.05	-35.46
COC(=O)[C@@]1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020306226	1	48	-1.0	-42.52	385.50	7.06	-35.46
COC(=O)[C@@]1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@@H]1C	REAL300020306227	0	45	-1.0	-44.86	363.97	6.26	-38.60
COC(=O)[C@@]1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020306227	1	45	-1.0	-44.84	364.03	6.29	-38.55
C[NH+]1CCC(N2C=C(NC3=NN=C(CCC4=NN=N[N-]4)N3CCF)C=N2)CC1	REAL300020306228	0	52	0.0	-79.15	412.07	9.35	-69.80
C[NH+]1CCC(N2C=C(NC3=NN=C(CCC4=N[N-]N=N4)N3CCF)C=N2)CC1	REAL300020306228	1	52	0.0	-79.15	412.01	9.34	-69.81
C[NH+]1CCC(N2C=C(NC3=NN=C(CC4=NN=N[N-]4)N3CCF)C=N2)CC1	REAL300020306229	0	49	0.0	-78.75	389.99	8.81	-69.94
C[NH+]1CCC(N2C=C(NC3=NN=C(CC4=N[N-]N=N4)N3CCF)C=N2)CC1	REAL300020306229	1	49	0.0	-78.71	389.93	8.80	-69.91
CCC1(C(F)(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306230	0	46	-1.0	-40.96	378.83	6.62	-34.34
CCC1(C(F)(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306230	1	46	-1.0	-40.95	378.89	6.63	-34.32
CCC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306231	0	43	-1.0	-42.51	356.91	5.86	-36.65
CCC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306231	1	43	-1.0	-42.54	356.96	5.88	-36.66
FCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306232	0	43	-1.0	-40.86	358.39	5.46	-35.40
FCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306232	1	43	-1.0	-40.82	358.45	5.47	-35.35
FCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306233	0	40	-1.0	-42.43	340.67	4.81	-37.62
FCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306233	1	40	-1.0	-42.42	340.72	4.84	-37.58
FCCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020306234	0	47	-1.0	-43.07	378.19	7.62	-35.45
FCCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020306234	1	47	-1.0	-43.09	378.25	7.61	-35.48
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020306235	0	50	-1.0	-40.71	405.05	10.05	-30.66
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020306235	1	50	-1.0	-40.69	405.11	10.07	-30.62
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020306236	0	47	-1.0	-44.34	373.66	9.24	-35.10
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020306236	1	47	-1.0	-44.37	373.71	9.27	-35.10
COC1CCC(C)N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306237	0	46	-1.0	-39.82	372.93	5.20	-34.62
COC1CCC(C)N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306237	1	46	-1.0	-39.82	372.98	5.22	-34.60
COC1CCC(C)N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306238	0	43	-1.0	-42.59	351.55	4.42	-38.17
COC1CCC(C)N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306238	1	43	-1.0	-42.57	351.60	4.45	-38.12
COC1CCC(C)N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020306239	0	50	-1.0	-40.96	401.11	7.18	-33.78
COC1CCC(C)N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020306239	1	50	-1.0	-40.90	401.15	7.17	-33.73
CC1CC(N2N=NC3=C2CN(C2=NN=C(CC4=N[N-]N=N4)N2CCF)CC3)C1	REAL300020306240	0	49	-1.0	-43.09	404.28	6.80	-36.29
CC1CC(N2N=NC3=C2CN(C2=NN=C(CC4=NN=N[N-]4)N2CCF)CC3)C1	REAL300020306240	1	49	-1.0	-43.13	404.34	6.83	-36.30
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306241	0	52	-1.0	-42.45	419.34	7.70	-34.75
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306241	1	52	-1.0	-42.45	419.40	7.71	-34.74
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306242	0	49	-1.0	-44.26	393.37	6.98	-37.28
CCCN(CC1=CC=C(OC)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306242	1	49	-1.0	-44.26	393.42	6.99	-37.27
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020306243	0	48	-1.0	-40.71	402.68	8.00	-32.71
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020306243	1	48	-1.0	-40.69	402.74	8.02	-32.67
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020306244	0	45	-1.0	-42.09	376.83	7.44	-34.65
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020306244	1	45	-1.0	-42.10	376.89	7.45	-34.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300020306245	0	49	-1.0	-44.48	405.09	6.61	-37.87
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300020306245	1	49	-1.0	-44.50	405.15	6.64	-37.86
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCS1(=O)=O	REAL300020306246	0	42	-1.0	-45.77	357.01	3.23	-42.54
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCS1(=O)=O	REAL300020306246	1	42	-1.0	-45.82	357.07	3.24	-42.58
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCS1(=O)=O	REAL300020306247	0	39	-1.0	-46.61	336.55	2.46	-44.15
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCS1(=O)=O	REAL300020306247	1	39	-1.0	-46.63	336.61	2.48	-44.15
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1C1CC1	REAL300020306248	0	46	-1.0	-41.25	362.07	4.64	-36.61
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1C1CC1	REAL300020306248	1	46	-1.0	-41.24	362.13	4.65	-36.59
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1C1CC1	REAL300020306249	0	43	-1.0	-42.24	360.78	4.49	-37.75
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1C1CC1	REAL300020306249	1	43	-1.0	-42.22	360.84	4.52	-37.70
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306250	0	44	-1.0	-42.80	357.27	6.52	-36.28
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306250	1	44	-1.0	-42.85	357.33	6.53	-36.32
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306251	0	41	-1.0	-44.65	349.48	6.13	-38.52
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306251	1	41	-1.0	-44.63	349.42	6.10	-38.53
CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=N1	REAL300020306252	0	36	-1.0	-46.94	311.56	6.28	-40.66
CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=N1	REAL300020306252	1	36	-1.0	-46.95	311.50	6.27	-40.68
CN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C=N1	REAL300020306253	0	40	-1.0	-48.52	344.73	8.37	-40.15
CN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C=N1	REAL300020306253	1	40	-1.0	-48.57	344.77	8.38	-40.19
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020306254	0	47	-1.0	-41.65	388.40	7.87	-33.78
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020306254	1	47	-1.0	-41.67	388.45	7.89	-33.78
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020306255	0	44	-1.0	-42.77	374.29	7.32	-35.45
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020306255	1	44	-1.0	-42.75	374.35	7.35	-35.40
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020306256	0	42	-1.0	-40.32	359.25	7.39	-32.93
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020306256	1	42	-1.0	-40.33	359.31	7.40	-32.93
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020306257	0	39	-1.0	-42.90	334.82	6.51	-36.39
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020306257	1	39	-1.0	-42.90	334.87	6.54	-36.36
COC1=CC=CC=C1C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306258	0	48	-1.0	-43.88	399.18	6.54	-37.34
COC1=CC=CC=C1C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306258	1	48	-1.0	-43.87	399.23	6.55	-37.32
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020306259	0	44	-1.0	-40.67	340.54	7.31	-33.36
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020306259	1	44	-1.0	-40.64	340.59	7.32	-33.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020306260	0	41	-1.0	-41.79	321.14	7.53	-34.26
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020306260	1	41	-1.0	-41.80	321.20	7.55	-34.25
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020306261	0	48	-1.0	-41.95	373.71	9.42	-32.53
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020306261	1	48	-1.0	-41.94	373.73	9.42	-32.52
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020306262	0	54	-1.0	-41.37	429.87	6.80	-34.57
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020306262	1	54	-1.0	-41.31	429.93	6.82	-34.49
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020306263	0	51	-1.0	-43.04	408.10	6.20	-36.84
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCCO2)CC1	REAL300020306263	1	51	-1.0	-43.05	408.16	6.22	-36.83
COC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCO2)C=C1	REAL300020306264	0	48	-1.0	-43.27	400.92	6.42	-36.85
COC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCO2)C=C1	REAL300020306264	1	48	-1.0	-43.30	400.98	6.44	-36.86
CN1C(=O)[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@H]2C1=O	REAL300020306265	0	43	-1.0	-46.02	353.43	4.30	-41.72
CN1C(=O)[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@H]2C1=O	REAL300020306265	1	43	-1.0	-46.01	353.49	4.32	-41.69
CN1C(=O)[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]2C1=O	REAL300020306266	0	40	-1.0	-47.41	331.34	3.78	-43.63
CN1C(=O)[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]2C1=O	REAL300020306266	1	40	-1.0	-47.46	331.40	3.80	-43.66
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300020306267	0	37	-1.0	-40.90	329.62	6.55	-34.35
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300020306267	1	37	-1.0	-40.89	329.68	6.58	-34.31
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020306268	0	49	-1.0	-40.35	402.50	9.91	-30.44
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020306268	1	49	-1.0	-40.33	402.56	9.92	-30.41
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020306269	0	46	-1.0	-41.91	380.12	9.27	-32.64
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020306269	1	46	-1.0	-41.88	380.17	9.29	-32.59
CC(=O)N1CCOC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC21	REAL300020306270	0	48	-1.0	-47.98	388.76	4.22	-43.76
CC(=O)N1CCOC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC21	REAL300020306270	1	48	-1.0	-47.96	388.82	4.23	-43.73
CC(=O)N1CCOC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC21	REAL300020306271	0	45	-1.0	-52.08	356.03	3.78	-48.30
CC(=O)N1CCOC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC21	REAL300020306271	1	45	-1.0	-52.10	356.09	3.80	-48.30
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020306272	0	44	-1.0	-39.57	362.86	7.82	-31.75
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020306272	1	44	-1.0	-39.60	362.92	7.84	-31.76
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020306273	0	41	-1.0	-40.97	345.06	7.18	-33.79
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020306273	1	41	-1.0	-40.96	345.12	7.20	-33.76
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306274	0	45	-1.0	-38.65	384.74	8.40	-30.25
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306274	1	45	-1.0	-38.62	384.79	8.41	-30.21
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306275	0	42	-1.0	-39.78	362.85	7.85	-31.93
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306275	1	42	-1.0	-39.75	362.88	7.88	-31.87
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306276	0	49	-1.0	-41.24	392.17	7.86	-33.38
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306276	1	49	-1.0	-41.28	392.23	7.87	-33.41
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306277	0	46	-1.0	-44.89	365.64	7.17	-37.72
COC1=CC=CC=C1[C@H](C)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306277	1	46	-1.0	-44.87	365.59	7.15	-37.72
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC21	REAL300020306278	0	49	0.0	-66.24	376.67	7.32	-58.92
C[N@H+]1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC21	REAL300020306278	1	49	0.0	-68.23	366.18	6.97	-61.26
C[N@@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC21	REAL300020306278	1	49	0.0	-66.21	376.72	7.34	-58.87
C[N@H+]1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC21	REAL300020306278	1	49	0.0	-68.31	366.23	6.99	-61.32
C[N@@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC21	REAL300020306279	0	46	0.0	-65.30	358.94	6.65	-58.65
C[N@H+]1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC21	REAL300020306279	1	46	0.0	-65.08	363.59	6.87	-58.21
C[N@@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC21	REAL300020306279	1	46	0.0	-65.34	358.99	6.68	-58.66
C[N@H+]1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC21	REAL300020306279	1	46	0.0	-65.09	363.65	6.90	-58.19
C[N@@H+]1CCC2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CCC21	REAL300020306280	0	53	0.0	-70.46	407.58	9.81	-60.65
C[N@H+]1CCC2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CCC21	REAL300020306280	1	53	0.0	-73.50	393.37	8.96	-64.54
C[N@@H+]1CCC2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CCC21	REAL300020306280	1	53	0.0	-70.48	407.62	9.80	-60.68
C[N@H+]1CCC2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CCC21	REAL300020306280	1	53	0.0	-73.49	393.39	8.95	-64.54
CN1C=NC(C2=NN=C3CN(C4=NN=C(CC5=N[N-]N=N5)N4CCF)CCN32)=C1	REAL300020306281	0	46	-1.0	-48.43	390.46	8.50	-39.93
CN1C=NC(C2=NN=C3CN(C4=NN=C(CC5=NN=N[N-]5)N4CCF)CCN32)=C1	REAL300020306281	1	46	-1.0	-48.44	390.52	8.53	-39.91
N#CC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020306282	0	49	-1.0	-42.81	411.81	7.59	-35.22
N#CC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020306282	1	49	-1.0	-42.85	411.87	7.61	-35.24
N#CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020306283	0	46	-1.0	-43.92	389.63	7.01	-36.91
N#CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020306283	1	46	-1.0	-43.92	389.69	7.03	-36.89
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020306284	0	48	-1.0	-40.53	393.12	7.34	-33.19
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020306284	1	48	-1.0	-40.58	393.18	7.36	-33.22
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020306285	0	45	-1.0	-42.21	375.32	6.69	-35.52
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020306285	1	45	-1.0	-42.23	375.37	6.71	-35.52
CC1(C)C(C2=CC=CC=C2F)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306286	0	49	-1.0	-41.96	386.80	8.76	-33.20
CC1(C)C(C2=CC=CC=C2F)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306286	1	49	-1.0	-42.01	386.85	8.78	-33.23
CN1CC[NH+](C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)CC1	REAL300020306287	0	57	0.0	-65.80	430.50	6.46	-59.34
CN1CC[NH+](C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)CC1	REAL300020306287	1	57	0.0	-65.86	430.56	6.47	-59.39
CN1CC[NH+](C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)CC1	REAL300020306288	0	54	0.0	-65.72	408.11	6.06	-59.66
CN1CC[NH+](C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)CC1	REAL300020306288	1	54	0.0	-65.79	408.16	6.07	-59.72
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020306289	0	45	-1.0	-42.77	382.49	6.89	-35.88
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020306289	1	45	-1.0	-42.76	382.55	6.91	-35.85
N#CCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306290	0	45	-1.0	-43.70	374.05	4.88	-38.82
N#CCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306290	1	45	-1.0	-43.71	374.11	4.90	-38.81
N#CCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306291	0	42	-1.0	-45.69	356.25	4.22	-41.47
N#CCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306291	1	42	-1.0	-45.68	356.30	4.25	-41.43
N#CCCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020306292	0	49	-1.0	-45.50	406.08	7.02	-38.48
N#CCCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020306292	1	49	-1.0	-45.48	406.13	7.01	-38.47
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1C1=CC=CC=C1	REAL300020306293	0	47	-1.0	-49.83	391.59	6.80	-43.03
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1C1=CC=CC=C1	REAL300020306293	1	47	-1.0	-49.87	391.65	6.82	-43.05
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1C1=CC=CC=C1	REAL300020306294	0	44	-1.0	-50.73	367.66	6.64	-44.09
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1C1=CC=CC=C1	REAL300020306294	1	44	-1.0	-50.78	367.71	6.65	-44.13
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[N@@H+]1C	REAL300020306295	0	51	0.0	-66.60	374.73	7.71	-58.89
CC(C)[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[N@H+]1C	REAL300020306295	1	51	0.0	-64.06	387.02	7.53	-56.53
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+]1C	REAL300020306295	1	51	0.0	-66.60	374.79	7.72	-58.88
CC(C)[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+]1C	REAL300020306295	1	51	0.0	-64.11	387.07	7.54	-56.57
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+]1C	REAL300020306296	0	48	0.0	-62.04	369.03	6.96	-55.08
CC(C)[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+]1C	REAL300020306296	1	48	0.0	-61.98	361.21	6.74	-55.24
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1C	REAL300020306296	1	48	0.0	-62.08	369.09	6.99	-55.09
CC(C)[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1C	REAL300020306296	1	48	0.0	-61.93	361.26	6.76	-55.17
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC[N@@H+]1C	REAL300020306297	0	55	0.0	-71.53	412.58	9.84	-61.69
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC[N@H+]1C	REAL300020306297	1	55	0.0	-71.28	403.52	9.53	-61.75
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC[N@@H+]1C	REAL300020306297	1	55	0.0	-71.56	412.59	9.85	-61.71
CC(C)[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC[N@H+]1C	REAL300020306297	1	55	0.0	-71.34	403.50	9.53	-61.81
CC(C)(C)OC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306298	0	54	-1.0	-42.88	432.27	8.93	-33.95
CC(C)(C)OC(=O)[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306298	1	54	-1.0	-42.93	432.33	8.94	-33.99
CC(C)(C)OC(=O)[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306299	0	51	-1.0	-44.10	410.77	8.14	-35.96
CC(C)(C)OC(=O)[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306299	1	51	-1.0	-44.12	410.83	8.17	-35.95
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020306300	0	53	-1.0	-41.83	402.46	7.84	-33.99
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020306300	1	53	-1.0	-41.86	402.52	7.86	-34.00
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020306301	0	50	-1.0	-43.57	380.20	7.33	-36.24
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020306301	1	50	-1.0	-43.57	380.26	7.35	-36.22
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020306302	0	49	-1.0	-40.08	404.03	9.69	-30.39
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020306302	1	49	-1.0	-40.07	404.08	9.70	-30.37
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020306303	0	46	-1.0	-41.25	382.53	8.91	-32.34
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020306303	1	46	-1.0	-41.29	382.58	8.94	-32.35
COC(=O)C1=NOC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)C1	REAL300020306304	0	47	-1.0	-42.74	401.77	5.62	-37.12
COC(=O)C1=NOC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)C1	REAL300020306304	1	47	-1.0	-42.74	401.83	5.64	-37.10
COC(=O)C1=NOC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C1	REAL300020306305	0	44	-1.0	-46.02	370.75	4.73	-41.29
COC(=O)C1=NOC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C1	REAL300020306305	1	44	-1.0	-46.06	370.81	4.75	-41.31
CC1(C(F)(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306306	0	43	-1.0	-40.34	363.96	5.86	-34.48
CC1(C(F)(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306306	1	43	-1.0	-40.32	364.02	5.88	-34.44
CC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306307	0	40	-1.0	-42.11	330.71	4.50	-37.61
CC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306307	1	40	-1.0	-42.10	330.77	4.53	-37.57
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020306308	0	40	-1.0	-46.49	350.79	4.52	-41.97
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020306308	1	40	-1.0	-46.53	350.85	4.54	-41.99
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020306309	0	37	-1.0	-48.05	325.90	3.94	-44.11
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020306309	1	37	-1.0	-48.08	325.96	3.97	-44.11
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OCC(F)F)C1	REAL300020306310	0	44	-1.0	-45.92	381.01	6.59	-39.33
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OCC(F)F)C1	REAL300020306310	1	44	-1.0	-45.87	381.05	6.59	-39.28
CCOC(=O)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306311	0	49	-1.0	-44.53	403.19	6.90	-37.63
CCOC(=O)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306311	1	49	-1.0	-44.53	403.25	6.91	-37.62
CCOC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306312	0	46	-1.0	-47.02	381.27	6.12	-40.90
CCOC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306312	1	46	-1.0	-47.04	381.32	6.15	-40.89
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306313	0	46	-1.0	-43.64	401.26	9.15	-34.49
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306313	1	46	-1.0	-43.67	401.31	9.17	-34.50
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306314	0	43	-1.0	-45.47	379.68	8.39	-37.08
CN(CCC1=CC=CC(C#N)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306314	1	43	-1.0	-45.49	379.74	8.41	-37.08
FCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020306315	0	39	-1.0	-42.94	344.28	8.40	-34.54
FCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020306315	1	39	-1.0	-42.93	344.22	8.38	-34.55
FCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020306316	0	36	-1.0	-44.29	322.73	7.63	-36.66
FCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020306316	1	36	-1.0	-44.32	322.67	7.59	-36.73
FCCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=N1	REAL300020306317	0	43	-1.0	-44.70	372.61	10.34	-34.36
FCCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=N1	REAL300020306317	1	43	-1.0	-44.75	372.57	10.35	-34.40
CC1CC(CO)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306318	0	46	-1.0	-40.80	359.43	3.89	-36.91
CC1CC(CO)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306318	1	46	-1.0	-40.84	359.49	3.90	-36.94
CC1CC(CO)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306319	0	43	-1.0	-42.90	336.68	3.44	-39.46
CC1CC(CO)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306319	1	43	-1.0	-42.92	336.73	3.46	-39.46
CC1CC(CO)CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306320	0	50	-1.0	-42.15	385.99	6.19	-35.96
CC1CC(CO)CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306320	1	50	-1.0	-42.10	385.97	6.18	-35.92
CC(C)CC(=O)N1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306321	0	55	-1.0	-43.55	418.38	8.12	-35.43
CC(C)CC(=O)N1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306321	1	55	-1.0	-43.50	418.44	8.13	-35.37
CC(C)CC(=O)N1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306322	0	52	-1.0	-42.05	410.51	7.28	-34.77
CC(C)CC(=O)N1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306322	1	52	-1.0	-42.07	410.57	7.30	-34.77
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306323	0	44	-1.0	-42.80	357.27	6.52	-36.28
COC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306323	1	44	-1.0	-42.85	357.33	6.53	-36.32
COC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306324	0	41	-1.0	-44.65	349.48	6.13	-38.52
COC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306324	1	41	-1.0	-44.63	349.42	6.10	-38.53
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306325	0	43	-1.0	-43.94	345.95	10.58	-33.36
CC1=CC=CC2=C1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306325	1	43	-1.0	-43.92	346.01	10.59	-33.33
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306326	0	40	-1.0	-45.89	323.86	10.06	-35.83
CC1=CC=CC2=C1CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306326	1	40	-1.0	-45.86	323.81	10.04	-35.82
CC1=CC=CC2=C1CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306327	0	47	-1.0	-45.11	378.33	12.68	-32.43
CC1=CC=CC2=C1CCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306327	1	47	-1.0	-45.10	378.36	12.67	-32.43
CC1([N-]C(=O)C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306328	0	42	-2.0	-84.06	371.27	2.55	-81.51
CC1([N-]C(=O)C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306328	1	42	-2.0	-84.09	371.33	2.58	-81.51
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020306329	0	46	-1.0	-42.01	381.37	8.41	-33.60
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020306329	1	46	-1.0	-41.98	381.42	8.43	-33.55
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020306330	0	43	-1.0	-43.68	359.27	7.53	-36.15
CC1=C(Cl)C=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020306330	1	43	-1.0	-43.65	359.33	7.56	-36.09
CC(C)(C)OC(=O)[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306331	0	54	-1.0	-43.37	428.51	8.80	-34.57
CC(C)(C)OC(=O)[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306331	1	54	-1.0	-43.37	428.57	8.82	-34.55
CC(C)(C)OC(=O)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306332	0	51	-1.0	-43.52	406.62	8.19	-35.33
CC(C)(C)OC(=O)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306332	1	51	-1.0	-43.53	406.67	8.21	-35.32
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306333	0	60	0.0	-62.22	448.92	10.50	-51.72
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306333	1	60	0.0	-62.27	448.97	10.52	-51.75
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306334	0	57	0.0	-66.06	424.00	8.32	-57.74
CC(C)CN(CC1CC[NH+](C)CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306334	1	57	0.0	-66.07	424.06	8.34	-57.73
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020306335	0	49	-1.0	-44.49	405.80	3.89	-40.60
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020306335	1	49	-1.0	-44.45	405.86	3.91	-40.54
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020306335	1	50	0.0	-68.67	403.47	6.17	-62.50
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCS1	REAL300020306336	0	40	-1.0	-39.02	324.01	6.06	-32.96
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCS1	REAL300020306336	1	40	-1.0	-39.02	324.06	6.08	-32.94
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCS1	REAL300020306337	0	37	-1.0	-38.94	317.78	5.96	-32.98
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCS1	REAL300020306337	1	37	-1.0	-38.95	317.84	5.97	-32.98
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCS1	REAL300020306338	0	44	-1.0	-40.15	370.60	8.66	-31.49
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCS1	REAL300020306338	1	44	-1.0	-40.17	370.63	8.64	-31.53
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020306339	0	42	-1.0	-40.39	349.32	5.09	-35.30
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020306339	1	42	-1.0	-40.39	349.38	5.10	-35.29
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020306340	0	39	-1.0	-41.97	322.35	4.39	-37.58
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020306340	1	39	-1.0	-41.95	322.41	4.41	-37.54
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020306341	0	46	-1.0	-40.81	379.46	7.23	-33.58
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020306341	1	46	-1.0	-40.80	379.49	7.21	-33.59
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2=CC=CN=C21	REAL300020306342	0	47	-1.0	-44.13	362.25	4.75	-39.38
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2=CC=CN=C21	REAL300020306342	1	47	-1.0	-44.09	362.31	4.77	-39.32
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2=CC=C[NH+]=C21	REAL300020306342	1	48	0.0	-58.89	379.88	5.66	-53.23
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2=CC=CN=C21	REAL300020306343	0	44	-1.0	-44.23	340.70	4.14	-40.09
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2=CC=CN=C21	REAL300020306343	1	44	-1.0	-44.32	340.75	4.14	-40.18
CN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2=CC=C[NH+]=C21	REAL300020306343	1	45	0.0	-46.79	351.19	5.73	-41.06
COCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCOCC1	REAL300020306344	0	50	-1.0	-41.34	378.52	4.95	-36.39
COCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCOCC1	REAL300020306344	1	50	-1.0	-41.35	378.57	4.96	-36.39
COCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCOCC1	REAL300020306345	0	47	-1.0	-42.72	364.46	4.46	-38.26
COCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCOCC1	REAL300020306345	1	47	-1.0	-42.76	364.51	4.48	-38.28
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C=CC1C2	REAL300020306346	0	38	-1.0	-41.26	307.61	6.19	-35.07
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C=CC1C2	REAL300020306346	1	38	-1.0	-41.25	307.67	6.20	-35.05
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020306347	0	42	-1.0	-41.85	344.24	8.23	-33.62
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020306347	1	42	-1.0	-41.84	344.28	8.23	-33.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020306348	0	50	-1.0	-40.50	388.24	7.04	-33.46
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020306348	1	50	-1.0	-40.56	388.30	7.05	-33.51
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020306349	0	47	-1.0	-42.40	362.70	6.31	-36.09
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020306349	1	47	-1.0	-42.41	362.75	6.32	-36.09
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020306350	0	47	-1.0	-41.85	367.99	9.14	-32.71
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020306350	1	47	-1.0	-41.87	368.05	9.16	-32.71
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020306351	0	44	-1.0	-40.27	351.66	8.61	-31.66
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020306351	1	44	-1.0	-40.26	351.61	8.59	-31.67
COC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020306352	0	49	-1.0	-42.99	398.43	5.92	-37.07
COC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020306352	1	49	-1.0	-42.97	398.49	5.94	-37.03
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020306353	0	48	-1.0	-41.41	378.04	5.18	-36.23
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020306353	1	48	-1.0	-41.45	378.09	5.20	-36.25
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020306354	0	45	-1.0	-43.79	355.43	4.71	-39.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020306354	1	45	-1.0	-43.76	355.49	4.74	-39.02
C#CC1CCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306355	0	44	-1.0	-39.39	357.44	7.83	-31.56
C#CC1CCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306355	1	44	-1.0	-39.39	357.50	7.84	-31.55
C#CC1CCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306356	0	41	-1.0	-40.10	330.27	7.77	-32.33
C#CC1CCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306356	1	41	-1.0	-40.11	330.22	7.76	-32.35
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020306357	0	48	-1.0	-41.81	382.21	10.20	-31.61
C#CC1CCCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020306357	1	48	-1.0	-41.72	382.25	10.19	-31.53
COC1=CC=C(CN(CCO)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020306358	0	50	-1.0	-42.02	399.35	3.59	-38.43
COC1=CC=C(CN(CCO)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020306358	1	50	-1.0	-42.01	399.40	3.60	-38.41
COC1=CC=C(CN(CCO)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020306359	0	47	-1.0	-41.64	376.36	3.14	-38.50
COC1=CC=C(CN(CCO)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020306359	1	47	-1.0	-41.68	376.41	3.15	-38.53
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020306360	0	56	-1.0	-40.48	410.36	8.16	-32.32
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020306360	1	56	-1.0	-40.52	410.42	8.18	-32.34
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020306361	0	53	-1.0	-41.39	399.29	7.45	-33.94
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020306361	1	53	-1.0	-41.40	399.34	7.46	-33.94
CN(CC1=CC=NS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306362	0	38	-1.0	-40.18	343.68	5.78	-34.40
CN(CC1=CC=NS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306362	1	38	-1.0	-40.16	343.74	5.79	-34.37
CN(CC1=CC=NS1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306363	0	35	-1.0	-41.65	321.82	5.06	-36.59
CN(CC1=CC=NS1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306363	1	35	-1.0	-41.68	321.77	5.04	-36.64
CN(CC1=CC=NS1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306364	0	42	-1.0	-43.61	359.79	7.83	-35.78
CN(CC1=CC=NS1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306364	1	42	-1.0	-43.61	359.82	7.82	-35.79
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020306365	0	39	-1.0	-40.02	320.29	6.21	-33.81
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020306365	1	39	-1.0	-39.97	320.34	6.23	-33.74
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020306366	0	43	-1.0	-41.33	352.23	8.21	-33.12
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020306366	1	43	-1.0	-41.30	352.27	8.20	-33.10
COC1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306367	0	43	-1.0	-40.37	357.85	5.10	-35.27
COC1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306367	1	43	-1.0	-40.35	357.91	5.11	-35.24
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306368	0	40	-1.0	-40.30	343.01	4.44	-35.86
COC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306368	1	40	-1.0	-40.35	343.07	4.47	-35.88
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020306369	0	42	-1.0	-38.90	348.55	7.20	-31.70
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020306369	1	42	-1.0	-38.90	348.61	7.22	-31.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020306370	0	39	-1.0	-44.28	327.79	6.23	-38.05
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020306370	1	39	-1.0	-44.30	327.85	6.26	-38.04
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020306371	0	46	-1.0	-42.83	375.76	9.21	-33.62
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020306371	1	46	-1.0	-42.80	375.85	9.20	-33.60
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020306372	0	39	-1.0	-38.84	325.38	6.49	-32.35
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020306372	1	39	-1.0	-38.83	325.44	6.51	-32.32
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020306373	0	43	-1.0	-40.45	355.91	8.35	-32.10
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020306373	1	43	-1.0	-40.40	355.94	8.35	-32.05
CC(=O)N1C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@H]2C1	REAL300020306374	0	47	-1.0	-46.77	376.78	5.79	-40.98
CC(=O)N1C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@H]2C1	REAL300020306374	1	47	-1.0	-46.81	376.84	5.81	-41.00
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]2C1	REAL300020306375	0	44	-1.0	-53.83	348.32	4.94	-48.89
CC(=O)N1C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]2C1	REAL300020306375	1	44	-1.0	-53.80	348.37	4.97	-48.83
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020306376	0	42	-1.0	-43.55	357.89	6.15	-37.40
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020306376	1	42	-1.0	-43.53	357.95	6.16	-37.37
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020306377	0	39	-1.0	-45.05	335.79	5.61	-39.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020306377	1	39	-1.0	-45.04	335.85	5.64	-39.40
CC(C)(C)OCCC[NH+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306378	0	58	0.0	-66.13	445.06	7.99	-58.14
CC(C)(C)OCCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306378	1	58	0.0	-66.16	445.12	8.00	-58.16
CC(C)(C)OCCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306378	1	57	-1.0	-42.16	446.73	5.67	-36.49
CC(C)(C)OCCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306378	1	57	-1.0	-42.19	446.78	5.70	-36.49
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1C1=CC=CC=C1	REAL300020306379	0	52	-1.0	-39.53	405.87	10.05	-29.48
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C1=CC=CC=C1	REAL300020306379	1	52	-1.0	-39.55	405.93	10.07	-29.48
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C1=CC=CC=C1	REAL300020306380	0	49	-1.0	-41.95	396.78	9.63	-32.32
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C1=CC=CC=C1	REAL300020306380	1	49	-1.0	-41.94	396.84	9.65	-32.29
CCC1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020306381	0	54	-1.0	-41.34	436.43	7.94	-33.40
CCC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020306381	1	55	0.0	-66.44	435.20	10.37	-56.07
CCC1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020306381	1	54	-1.0	-41.30	436.49	7.96	-33.34
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020306382	0	43	-1.0	-40.36	373.20	8.51	-31.85
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020306382	1	43	-1.0	-40.34	373.26	8.53	-31.81
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020306383	0	40	-1.0	-44.48	338.54	6.81	-37.67
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020306383	1	40	-1.0	-44.47	338.60	6.83	-37.64
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306384	0	49	-1.0	-39.47	382.21	8.65	-30.82
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306384	1	49	-1.0	-39.53	382.27	8.67	-30.86
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306385	0	46	-1.0	-41.44	365.52	7.83	-33.61
CC1(C2=CC=CC=C2)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306385	1	46	-1.0	-41.45	365.46	7.80	-33.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300020306386	0	49	-1.0	-44.13	391.88	6.64	-37.49
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=C3NC=CC3=CC=C2)CC1	REAL300020306386	1	49	-1.0	-44.14	391.94	6.67	-37.47
CC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306387	0	55	0.0	-64.67	429.59	10.22	-54.45
CC(C1=CC=CC=C1)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306387	1	54	-1.0	-39.37	433.30	8.35	-31.02
CC(C1=CC=CC=C1)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306387	1	54	-1.0	-39.37	433.36	8.36	-31.01
CC(C1=CC=CC=C1)[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306388	0	52	0.0	-61.34	407.61	9.63	-51.71
CC(C1=CC=CC=C1)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306388	1	51	-1.0	-41.89	410.85	7.63	-34.26
CC(C1=CC=CC=C1)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306388	1	51	-1.0	-41.86	410.91	7.65	-34.21
COC1COCCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306389	0	47	-1.0	-40.64	362.77	3.85	-36.79
COC1COCCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306389	1	47	-1.0	-40.62	362.82	3.87	-36.75
COC1COCCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306390	0	44	-1.0	-42.48	340.23	3.35	-39.13
COC1COCCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306390	1	44	-1.0	-42.50	340.29	3.36	-39.14
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306391	0	58	0.0	-62.50	410.04	8.80	-53.70
CCC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306391	1	58	0.0	-62.51	410.10	8.82	-53.69
C[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306392	0	48	0.0	-66.47	349.95	6.62	-59.85
C[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306392	1	48	0.0	-62.73	369.82	7.22	-55.51
CN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306392	1	47	-1.0	-39.51	364.59	5.06	-34.45
CN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306392	1	47	-1.0	-39.50	364.65	5.07	-34.43
C[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306393	0	45	0.0	-62.20	344.99	6.55	-55.65
C[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306393	1	45	0.0	-60.49	348.26	6.42	-54.07
C[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306393	1	45	0.0	-62.23	345.05	6.57	-55.66
C[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306393	1	45	0.0	-60.48	348.32	6.45	-54.03
CN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306393	1	44	-1.0	-40.68	340.25	4.44	-36.24
C[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1(C)C	REAL300020306394	0	52	0.0	-72.16	382.04	8.68	-63.48
C[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1(C)C	REAL300020306394	1	52	0.0	-67.51	396.85	9.20	-58.31
CN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1(C)C	REAL300020306394	1	51	-1.0	-41.21	384.20	6.99	-34.22
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306395	0	49	-1.0	-40.24	397.60	7.67	-32.57
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306395	1	49	-1.0	-40.28	397.66	7.68	-32.60
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306396	0	46	-1.0	-40.95	361.44	6.78	-34.17
COC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306396	1	46	-1.0	-41.01	361.50	6.80	-34.21
CCCCCCCCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306397	0	62	-1.0	-39.29	485.12	12.11	-27.18
CCCCCCCCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306397	1	62	-1.0	-39.27	485.18	12.12	-27.15
CCCCCCCCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306398	0	59	-1.0	-39.35	457.24	11.48	-27.87
CCCCCCCCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306398	1	59	-1.0	-39.37	457.30	11.49	-27.88
COC(=O)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020306399	0	46	-1.0	-46.90	383.44	7.30	-39.60
COC(=O)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020306399	1	46	-1.0	-46.93	383.49	7.32	-39.61
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306400	0	44	-1.0	-51.13	386.43	5.20	-45.93
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306400	1	44	-1.0	-51.11	386.49	5.21	-45.90
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306401	0	41	-1.0	-58.57	355.49	4.43	-54.14
CN(CC1=NN=C2C(=O)NC=CN12)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306401	1	41	-1.0	-58.58	355.55	4.46	-54.12
CC1C2=C(C=CS2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306402	0	43	-1.0	-41.01	352.74	6.89	-34.12
CC1C2=C(C=CS2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306402	1	43	-1.0	-41.01	352.80	6.91	-34.10
CC1C2=C(C=CS2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306403	0	40	-1.0	-42.35	343.10	7.05	-35.30
CC1C2=C(C=CS2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306403	1	40	-1.0	-42.30	343.04	7.03	-35.27
COC(=O)CCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306404	0	51	-1.0	-44.51	413.59	8.20	-36.31
COC(=O)CCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306404	1	51	-1.0	-44.50	413.64	8.21	-36.29
COC(=O)CCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306405	0	48	-1.0	-47.93	395.84	7.54	-40.39
COC(=O)CCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306405	1	48	-1.0	-48.01	395.90	7.57	-40.44
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306406	0	47	-1.0	-49.96	378.38	4.53	-45.43
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306406	1	47	-1.0	-49.93	378.43	4.54	-45.39
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306407	0	44	-1.0	-50.01	356.09	4.06	-45.95
CN(CC(C)(C)S(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306407	1	44	-1.0	-50.02	356.15	4.07	-45.95
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306408	0	51	-1.0	-40.03	409.52	6.95	-33.08
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306408	1	51	-1.0	-39.99	409.57	6.97	-33.02
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306409	0	48	-1.0	-41.81	384.61	6.22	-35.59
CC1CN(C2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306409	1	48	-1.0	-41.85	384.67	6.25	-35.60
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCCN1	REAL300020306410	0	40	-1.0	-43.85	335.12	2.88	-40.97
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCCN1	REAL300020306410	1	40	-1.0	-43.88	335.18	2.90	-40.98
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCCN1	REAL300020306411	0	37	-1.0	-44.27	313.61	2.12	-42.15
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCCN1	REAL300020306411	1	37	-1.0	-44.27	313.55	2.09	-42.18
O=C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCCN1	REAL300020306412	0	44	-1.0	-45.41	364.09	4.83	-40.58
O=C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCCN1	REAL300020306412	1	44	-1.0	-45.46	364.14	4.81	-40.65
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020306413	0	41	-1.0	-40.57	327.29	4.48	-36.09
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020306413	1	41	-1.0	-40.55	327.35	4.49	-36.06
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020306414	0	38	-1.0	-42.83	305.84	3.69	-39.14
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020306414	1	38	-1.0	-42.80	305.90	3.72	-39.08
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020306415	0	45	-1.0	-42.17	354.96	6.42	-35.75
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020306415	1	45	-1.0	-42.18	354.98	6.41	-35.77
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020306416	0	49	-1.0	-40.41	402.37	9.67	-30.74
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020306416	1	49	-1.0	-40.42	402.42	9.69	-30.73
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020306417	0	46	-1.0	-42.19	383.81	9.20	-32.99
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020306417	1	46	-1.0	-42.19	383.87	9.22	-32.97
CN1N=NN=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306418	0	47	-1.0	-46.52	391.53	5.85	-40.67
CN1N=NN=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306418	1	47	-1.0	-46.54	391.59	5.86	-40.68
CN1N=NN=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306419	0	44	-1.0	-47.67	370.81	4.88	-42.79
CN1N=NN=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306419	1	44	-1.0	-47.69	370.87	4.90	-42.79
O=C1NCCC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020306420	0	47	-1.0	-49.50	376.18	4.28	-45.22
O=C1NCCC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020306420	1	47	-1.0	-49.55	376.24	4.29	-45.26
O=C1NCCC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020306421	0	44	-1.0	-51.85	350.53	3.54	-48.31
O=C1NCCC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020306421	1	44	-1.0	-51.87	350.60	3.55	-48.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020306422	0	46	-1.0	-45.59	396.34	3.76	-41.83
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020306422	1	46	-1.0	-45.60	396.40	3.78	-41.82
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020306423	0	47	-1.0	-40.71	390.43	8.17	-32.54
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020306423	1	47	-1.0	-40.73	390.48	8.18	-32.55
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020306424	0	44	-1.0	-42.86	363.52	7.48	-35.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020306424	1	44	-1.0	-42.89	363.57	7.51	-35.38
CC(C)C1=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=NN1	REAL300020306425	0	52	-1.0	-46.14	421.67	7.28	-38.86
CC(C)C1=NNC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=C1	REAL300020306425	1	52	-1.0	-45.78	407.36	6.83	-38.95
CC(C)C1=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=NN1	REAL300020306425	1	52	-1.0	-46.10	421.73	7.31	-38.79
CC(C)C1=NNC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=C1	REAL300020306425	1	52	-1.0	-45.80	407.41	6.85	-38.95
CC1(C)OC[C@@H]([C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCO2)O1	REAL300020306426	0	52	-1.0	-42.75	422.50	5.37	-37.38
CC1(C)OC[C@@H]([C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCO2)O1	REAL300020306426	1	52	-1.0	-42.73	422.56	5.39	-37.34
CC1(C)OC[C@@H]([C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCO2)O1	REAL300020306427	0	49	-1.0	-43.62	396.21	4.86	-38.76
CC1(C)OC[C@@H]([C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCO2)O1	REAL300020306427	1	49	-1.0	-43.62	396.26	4.87	-38.75
CONC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306428	0	47	-1.0	-46.44	393.44	5.44	-41.00
CONC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306428	1	47	-1.0	-46.47	393.49	5.45	-41.02
CONC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306429	0	44	-1.0	-47.08	371.93	4.65	-42.43
CONC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306429	1	44	-1.0	-47.11	371.99	4.68	-42.43
CC1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306430	0	42	-1.0	-39.45	351.89	7.01	-32.44
CC1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306430	1	42	-1.0	-39.42	351.94	7.02	-32.40
CC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306431	0	39	-1.0	-41.73	324.97	6.33	-35.40
CC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306431	1	39	-1.0	-41.73	325.02	6.35	-35.38
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2=CC=CC=C21	REAL300020306432	0	46	-1.0	-41.42	368.45	7.85	-33.57
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2=CC=CC=C21	REAL300020306432	1	46	-1.0	-41.40	368.50	7.87	-33.53
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2=CC=CC=C21	REAL300020306433	0	43	-1.0	-42.06	341.57	7.60	-34.46
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2=CC=CC=C21	REAL300020306433	1	43	-1.0	-42.03	341.51	7.59	-34.44
N#CC1=CC=C(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=N1	REAL300020306434	0	48	-1.0	-44.42	407.04	5.71	-38.71
N#CC1=CC=C(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=N1	REAL300020306434	1	48	-1.0	-44.44	406.98	5.70	-38.74
N#CC1=CC=C(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=N1	REAL300020306435	0	45	-1.0	-44.97	384.81	5.14	-39.83
N#CC1=CC=C(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=N1	REAL300020306435	1	45	-1.0	-44.96	384.75	5.11	-39.85
CCOC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC12COC2	REAL300020306436	0	50	-1.0	-44.23	407.88	6.00	-38.23
CCOC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC12COC2	REAL300020306436	1	50	-1.0	-44.23	407.94	6.01	-38.22
CCOC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC12COC2	REAL300020306437	0	47	-1.0	-47.58	386.71	5.24	-42.34
CCOC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC12COC2	REAL300020306437	1	47	-1.0	-47.58	386.77	5.27	-42.31
O=S1(=O)CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2C1	REAL300020306438	0	46	-1.0	-48.40	382.17	4.12	-44.28
O=S1(=O)CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2C1	REAL300020306438	1	46	-1.0	-48.41	382.23	4.13	-44.28
O=S1(=O)CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2C1	REAL300020306439	0	43	-1.0	-50.38	360.67	3.33	-47.05
O=S1(=O)CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2C1	REAL300020306439	1	43	-1.0	-50.42	360.73	3.36	-47.06
CC1=CSC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)=N1	REAL300020306440	0	45	-1.0	-42.83	373.27	6.54	-36.29
CC1=CSC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)=N1	REAL300020306440	1	45	-1.0	-42.82	373.33	6.56	-36.26
CC1=CSC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=N1	REAL300020306441	0	42	-1.0	-44.80	357.94	5.89	-38.91
CC1=CSC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=N1	REAL300020306441	1	42	-1.0	-44.78	357.99	5.91	-38.87
C[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@@]1(C)CS(=O)(=O)C2	REAL300020306442	0	49	-1.0	-46.25	392.86	3.99	-42.26
C[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@@]1(C)CS(=O)(=O)C2	REAL300020306442	1	49	-1.0	-46.28	392.92	4.01	-42.27
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@@]1(C)CS(=O)(=O)C2	REAL300020306443	0	46	-1.0	-56.41	369.72	3.27	-53.14
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@@]1(C)CS(=O)(=O)C2	REAL300020306443	1	46	-1.0	-56.39	369.77	3.30	-53.09
CS(=N)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306444	0	45	-1.0	-50.52	377.79	1.80	-48.72
CS(=N)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306444	1	45	-1.0	-50.54	377.85	1.82	-48.72
CS(=N)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306445	0	42	-1.0	-52.74	360.56	0.95	-51.79
CS(=N)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306445	1	42	-1.0	-52.76	360.62	0.99	-51.77
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020306446	0	40	-1.0	-42.33	342.58	4.72	-37.61
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020306446	1	40	-1.0	-42.32	342.63	4.74	-37.58
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020306447	0	37	-1.0	-41.89	325.50	4.08	-37.81
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020306447	1	37	-1.0	-41.94	325.56	4.10	-37.84
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(F)F)C1	REAL300020306448	0	44	-1.0	-42.30	371.08	6.93	-35.37
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(F)F)C1	REAL300020306448	1	44	-1.0	-42.25	371.13	6.91	-35.34
O=S1(=O)CC2(C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306449	0	43	-1.0	-46.58	360.24	3.45	-43.13
O=S1(=O)CC2(C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306449	1	43	-1.0	-46.57	360.29	3.47	-43.10
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306450	0	40	-1.0	-52.14	334.49	2.60	-49.54
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306450	1	40	-1.0	-52.11	334.55	2.62	-49.49
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306451	0	58	0.0	-63.72	419.88	9.21	-54.51
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306451	1	58	0.0	-63.70	419.94	9.23	-54.47
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306452	0	55	0.0	-62.32	401.36	8.53	-53.79
CC1([NH+]2CCCCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306452	1	55	0.0	-62.34	401.41	8.55	-53.79
CC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306453	0	44	-1.0	-42.71	362.35	6.85	-35.86
CC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306453	1	44	-1.0	-42.76	362.41	6.86	-35.90
CC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306454	0	41	-1.0	-46.19	342.00	6.10	-40.09
CC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306454	1	41	-1.0	-46.16	342.06	6.12	-40.04
CC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020306455	0	48	-1.0	-45.47	382.90	8.84	-36.63
CC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020306455	1	48	-1.0	-45.47	382.92	8.82	-36.65
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306456	0	45	-1.0	-38.58	391.14	8.66	-29.92
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306456	1	45	-1.0	-38.59	391.19	8.67	-29.92
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306457	0	42	-1.0	-40.78	371.17	7.88	-32.90
C[C@H](C1=CC=C(Cl)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306457	1	42	-1.0	-40.78	371.22	7.91	-32.87
CC(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306458	0	44	-1.0	-46.33	365.90	6.94	-39.39
CC(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306458	1	44	-1.0	-46.37	365.95	6.95	-39.42
CC(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306459	0	41	-1.0	-48.88	341.25	6.06	-42.82
CC(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306459	1	41	-1.0	-48.87	341.31	6.08	-42.79
CC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020306460	0	48	-1.0	-47.79	383.86	8.79	-39.00
CC(=O)C1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020306460	1	48	-1.0	-47.77	383.89	8.79	-38.98
CC(C)(O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306461	0	49	-1.0	-39.36	381.48	4.80	-34.56
CC(C)(O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306461	1	49	-1.0	-39.39	381.54	4.81	-34.58
CC(C)(O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306462	0	46	-1.0	-41.31	363.70	4.14	-37.17
CC(C)(O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306462	1	46	-1.0	-41.26	363.76	4.17	-37.09
CC(CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C(C)(C)C	REAL300020306463	0	50	-1.0	-39.42	373.14	9.66	-29.76
CC(CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C(C)(C)C	REAL300020306463	1	50	-1.0	-39.41	373.20	9.67	-29.74
CC(CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF)C(C)(C)C	REAL300020306464	0	47	-1.0	-39.88	358.13	9.03	-30.85
CC(CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF)C(C)(C)C	REAL300020306464	1	47	-1.0	-39.87	358.18	9.05	-30.82
CC(CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C(C)(C)C	REAL300020306465	0	54	-1.0	-40.75	404.52	11.72	-29.03
CC(CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C(C)(C)C	REAL300020306465	1	54	-1.0	-40.71	404.54	11.71	-29.00
OCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306466	0	44	-1.0	-41.87	363.23	1.97	-39.90
OCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306466	1	44	-1.0	-41.84	363.28	1.98	-39.86
OCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020306467	0	41	-1.0	-43.83	345.49	1.32	-42.51
OCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020306467	1	41	-1.0	-43.81	345.55	1.35	-42.46
OCCC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020306468	0	48	-1.0	-44.03	383.02	4.14	-39.89
OCCC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020306468	1	48	-1.0	-44.03	383.08	4.13	-39.90
OCC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306469	0	47	-1.0	-42.32	374.35	2.10	-40.22
OCC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306469	1	47	-1.0	-42.36	374.41	2.12	-40.24
OCC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306470	0	44	-1.0	-43.35	349.16	1.42	-41.93
OCC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306470	1	44	-1.0	-43.39	349.21	1.45	-41.94
CC(=O)NC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020306471	0	50	-1.0	-47.54	405.98	6.32	-41.22
CC(=O)NC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020306471	1	50	-1.0	-47.55	406.04	6.34	-41.21
CC(=O)NC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020306472	0	47	-1.0	-48.70	384.78	5.51	-43.19
CC(=O)NC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020306472	1	47	-1.0	-48.73	384.84	5.55	-43.18
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020306473	0	41	-1.0	-42.68	340.03	6.64	-36.04
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020306473	1	41	-1.0	-42.66	340.09	6.66	-36.00
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020306474	0	38	-1.0	-44.95	317.85	6.46	-38.49
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020306474	1	38	-1.0	-44.95	317.79	6.43	-38.52
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020306475	0	45	-1.0	-43.91	367.44	9.20	-34.71
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020306475	1	45	-1.0	-43.85	367.49	9.19	-34.66
CN1C=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020306476	0	49	-1.0	-43.76	403.10	7.64	-36.12
CN1C=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020306476	1	49	-1.0	-43.76	403.16	7.66	-36.10
CN1C=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020306477	0	46	-1.0	-44.38	378.26	6.73	-37.65
CN1C=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020306477	1	46	-1.0	-44.38	378.31	6.75	-37.63
N#CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306478	0	40	-1.0	-43.39	339.06	6.44	-36.95
N#CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306478	1	40	-1.0	-43.42	339.11	6.46	-36.96
N#CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306479	0	37	-1.0	-45.33	320.99	5.78	-39.55
N#CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306479	1	37	-1.0	-45.31	321.05	5.81	-39.50
N#CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020306480	0	44	-1.0	-46.19	358.33	8.63	-37.56
N#CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020306480	1	44	-1.0	-46.18	358.44	8.62	-37.56
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020306481	0	47	-1.0	-41.87	368.22	6.42	-35.45
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020306481	1	47	-1.0	-41.90	368.28	6.43	-35.47
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020306482	0	44	-1.0	-42.20	353.75	5.71	-36.49
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020306482	1	44	-1.0	-42.24	353.81	5.73	-36.51
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020306483	0	51	-1.0	-44.15	398.10	8.12	-36.03
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020306483	1	51	-1.0	-44.12	398.13	8.12	-36.00
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020306484	0	40	-1.0	-43.78	342.95	6.94	-36.84
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020306484	1	40	-1.0	-43.78	343.00	6.95	-36.83
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020306485	0	37	-1.0	-45.32	319.82	5.95	-39.37
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020306485	1	37	-1.0	-45.30	319.88	5.98	-39.32
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1C1=CC=CC=C1	REAL300020306486	0	49	-1.0	-39.42	394.59	9.93	-29.49
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1C1=CC=CC=C1	REAL300020306486	1	49	-1.0	-39.41	394.65	9.94	-29.47
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1C1=CC=CC=C1	REAL300020306487	0	46	-1.0	-42.51	366.52	9.16	-33.35
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1C1=CC=CC=C1	REAL300020306487	1	46	-1.0	-42.47	366.46	9.14	-33.33
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020306488	0	46	-1.0	-42.37	376.97	8.70	-33.67
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020306488	1	46	-1.0	-42.39	377.03	8.71	-33.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020306489	0	43	-1.0	-45.21	359.01	8.31	-36.90
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020306489	1	43	-1.0	-45.22	359.06	8.33	-36.89
COC(=O)N[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306490	0	44	-1.0	-42.86	364.69	3.36	-39.50
COC(=O)N[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306490	1	44	-1.0	-42.87	364.74	3.37	-39.50
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306491	0	41	-1.0	-43.49	337.83	2.67	-40.82
COC(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306491	1	41	-1.0	-43.49	337.89	2.70	-40.79
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020306492	0	41	-1.0	-39.91	330.39	4.92	-34.99
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020306492	1	41	-1.0	-39.93	330.45	4.93	-35.00
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020306493	0	38	-1.0	-43.24	300.83	3.95	-39.29
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020306493	1	38	-1.0	-43.23	300.88	3.98	-39.25
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020306494	0	45	-1.0	-44.41	359.15	6.89	-37.52
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020306494	1	45	-1.0	-44.37	359.19	6.88	-37.49
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020306495	0	43	-1.0	-41.48	353.59	7.30	-34.18
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020306495	1	43	-1.0	-41.49	353.65	7.31	-34.18
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020306496	0	40	-1.0	-45.23	326.90	6.54	-38.69
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020306496	1	40	-1.0	-45.26	326.96	6.56	-38.70
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020306497	0	47	-1.0	-43.44	377.33	9.87	-33.57
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020306497	1	47	-1.0	-43.38	377.37	9.87	-33.51
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@@H]1CC	REAL300020306498	0	51	-1.0	-39.94	414.19	8.23	-31.71
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1CC	REAL300020306498	1	51	-1.0	-39.98	414.24	8.24	-31.74
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@@H]1CC	REAL300020306499	0	48	-1.0	-41.44	391.57	7.78	-33.66
CCOC(=O)[C@@]1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1CC	REAL300020306499	1	48	-1.0	-41.45	391.62	7.81	-33.64
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020306500	0	51	-1.0	-40.47	403.34	7.70	-32.77
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020306500	1	51	-1.0	-40.48	403.40	7.71	-32.77
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020306501	0	48	-1.0	-42.67	389.75	7.05	-35.62
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020306501	1	48	-1.0	-42.72	389.81	7.07	-35.65
COCCN(CC1=CC=C(C)C=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306502	0	52	-1.0	-40.54	421.83	7.95	-32.59
COCCN(CC1=CC=C(C)C=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306502	1	52	-1.0	-40.57	421.87	7.98	-32.59
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020306503	0	43	-1.0	-39.97	366.31	7.66	-32.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020306503	1	43	-1.0	-39.91	366.37	7.67	-32.24
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020306504	0	40	-1.0	-42.03	339.37	6.98	-35.05
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020306504	1	40	-1.0	-42.05	339.42	7.00	-35.05
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020306505	0	41	-1.0	-40.44	340.20	6.88	-33.56
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020306505	1	41	-1.0	-40.39	340.25	6.90	-33.49
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020306506	0	38	-1.0	-41.64	318.70	6.10	-35.54
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020306506	1	38	-1.0	-41.64	318.76	6.12	-35.52
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020306507	0	45	-1.0	-42.15	368.60	8.87	-33.28
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020306507	1	45	-1.0	-42.17	368.64	8.86	-33.31
CC(C)(C)OC(=O)N[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306508	0	53	-1.0	-43.05	426.82	5.31	-37.74
CC(C)(C)OC(=O)N[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306508	1	53	-1.0	-43.02	426.87	5.34	-37.68
CC1=NC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)=NO1	REAL300020306509	0	44	-1.0	-44.37	371.06	4.43	-39.94
CC1=NC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)=NO1	REAL300020306509	1	44	-1.0	-44.38	371.12	4.44	-39.94
CC1=NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=NO1	REAL300020306510	0	41	-1.0	-46.83	346.81	3.71	-43.12
CC1=NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=NO1	REAL300020306510	1	41	-1.0	-46.85	346.88	3.74	-43.11
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@@H]21	REAL300020306511	0	49	-1.0	-42.86	392.09	8.43	-34.43
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@@H]21	REAL300020306511	1	49	-1.0	-42.85	392.14	8.45	-34.40
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@@H]21	REAL300020306512	0	46	-1.0	-46.40	373.30	7.78	-38.62
CCOC(=O)[C@@H]1[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@@H]21	REAL300020306512	1	46	-1.0	-46.42	373.35	7.81	-38.61
O=C1CCCN1C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306513	0	48	-1.0	-49.02	380.85	10.53	-38.49
O=C1CCCN1C1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306513	1	48	-1.0	-49.04	380.91	10.56	-38.48
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020306514	0	40	-1.0	-39.58	341.33	6.40	-33.18
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020306514	1	40	-1.0	-39.58	341.38	6.41	-33.17
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020306515	0	37	-1.0	-41.80	324.70	5.75	-36.05
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020306515	1	37	-1.0	-41.80	324.76	5.77	-36.03
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306516	0	48	-1.0	-44.31	406.47	7.43	-36.88
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306516	1	48	-1.0	-44.29	406.53	7.44	-36.85
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306517	0	45	-1.0	-45.50	384.90	6.66	-38.84
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306517	1	45	-1.0	-45.50	384.95	6.69	-38.81
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020306518	0	55	-1.0	-39.87	439.56	11.22	-28.65
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020306518	1	55	-1.0	-39.88	439.61	11.23	-28.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020306519	0	52	-1.0	-43.00	418.60	10.67	-32.33
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020306519	1	52	-1.0	-43.00	418.65	10.69	-32.31
CC(C)C1C(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306520	0	55	-1.0	-39.03	421.70	9.51	-29.52
CC(C)C1C(C2=CC=CC=C2)CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306520	1	55	-1.0	-39.05	421.76	9.52	-29.53
CC(C)C1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306521	0	52	-1.0	-42.39	400.20	8.73	-33.66
CC(C)C1C(C2=CC=CC=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306521	1	52	-1.0	-42.43	400.26	8.75	-33.68
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020306522	0	42	-1.0	-42.07	354.48	6.79	-35.28
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020306522	1	42	-1.0	-42.10	354.54	6.80	-35.30
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020306523	0	39	-1.0	-44.63	311.04	6.43	-38.20
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020306523	1	39	-1.0	-44.69	311.10	6.45	-38.24
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC(F)F)C1CCC1	REAL300020306524	0	46	-1.0	-43.07	381.07	8.63	-34.44
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC(F)F)C1CCC1	REAL300020306524	1	46	-1.0	-42.99	381.09	8.62	-34.37
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306525	0	48	-1.0	-42.04	400.76	5.51	-36.53
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306525	1	48	-1.0	-42.03	400.82	5.53	-36.50
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306526	0	45	-1.0	-47.23	366.11	3.81	-43.42
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306526	1	45	-1.0	-47.25	366.17	3.82	-43.43
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306527	0	43	-1.0	-39.09	350.96	5.39	-33.70
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306527	1	43	-1.0	-39.08	351.02	5.40	-33.68
COC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306528	0	40	-1.0	-41.65	330.62	4.64	-37.01
COC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306528	1	40	-1.0	-41.65	330.67	4.66	-36.99
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020306529	0	47	-1.0	-41.39	371.43	7.39	-34.00
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020306529	1	47	-1.0	-41.40	371.47	7.38	-34.02
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020306530	0	50	-1.0	-39.61	405.28	8.60	-31.01
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020306530	1	50	-1.0	-39.61	405.34	8.61	-31.00
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020306531	0	47	-1.0	-41.46	387.41	7.92	-33.54
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020306531	1	47	-1.0	-41.47	387.46	7.94	-33.53
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020306532	0	42	-1.0	-43.16	349.62	4.66	-38.50
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020306532	1	42	-1.0	-43.19	349.67	4.68	-38.51
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020306533	0	39	-1.0	-43.80	331.85	4.03	-39.77
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020306533	1	39	-1.0	-43.79	331.78	4.01	-39.78
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020306534	0	46	-1.0	-46.37	371.66	6.95	-39.42
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020306534	1	46	-1.0	-46.41	371.68	6.94	-39.47
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020306535	0	46	-1.0	-39.68	380.90	8.27	-31.41
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020306535	1	46	-1.0	-39.68	380.96	8.28	-31.40
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020306536	0	43	-1.0	-41.14	355.44	7.55	-33.59
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020306536	1	43	-1.0	-41.18	355.49	7.56	-33.62
COCCN(CC1=CC=C(C)C(C)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306537	0	52	-1.0	-41.73	408.73	7.60	-34.13
COCCN(CC1=CC=C(C)C(C)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306537	1	52	-1.0	-41.69	408.78	7.60	-34.09
CC1(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)COC(=O)N1	REAL300020306538	0	51	-1.0	-47.73	403.21	4.96	-42.77
CC1(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)COC(=O)N1	REAL300020306538	1	51	-1.0	-47.76	403.28	4.98	-42.78
CC1(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)COC(=O)N1	REAL300020306539	0	48	-1.0	-48.50	379.54	3.80	-44.70
CC1(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)COC(=O)N1	REAL300020306539	1	48	-1.0	-48.53	379.60	3.82	-44.71
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1C	REAL300020306540	0	48	-1.0	-45.03	384.14	7.06	-37.97
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1C	REAL300020306540	1	48	-1.0	-45.01	384.20	7.08	-37.93
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1C	REAL300020306541	0	45	-1.0	-47.77	361.71	6.66	-41.11
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1C	REAL300020306541	1	45	-1.0	-47.79	361.77	6.68	-41.11
CC1=CSC(CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=N1	REAL300020306542	0	48	-1.0	-42.76	406.12	7.41	-35.35
CC1=CSC(CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=N1	REAL300020306542	1	48	-1.0	-42.70	406.17	7.43	-35.27
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020306543	0	50	-1.0	-40.91	406.34	7.10	-33.81
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020306543	1	50	-1.0	-40.90	406.39	7.11	-33.79
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020306544	0	47	-1.0	-41.98	384.39	6.50	-35.48
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020306544	1	47	-1.0	-42.02	384.44	6.51	-35.51
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306545	0	55	0.0	-65.70	404.51	8.70	-57.00
CCC1([NH+]2CCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306545	1	55	0.0	-65.70	404.57	8.72	-56.98
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306546	0	52	0.0	-65.56	371.86	7.23	-58.33
CCC1([NH+]2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306546	1	52	0.0	-65.56	371.92	7.26	-58.30
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FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020306568	1	49	-1.0	-40.59	403.44	9.88	-30.71
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020306569	0	46	-1.0	-42.23	377.12	8.64	-33.59
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020306569	1	46	-1.0	-42.27	377.18	8.66	-33.61
FCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020306570	0	46	-1.0	-45.28	379.19	9.08	-36.20
FCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020306570	1	46	-1.0	-45.23	379.14	9.07	-36.16
FCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020306571	0	43	-1.0	-46.71	352.37	8.40	-38.31
FCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020306571	1	43	-1.0	-46.70	352.31	8.38	-38.32
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FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020306573	1	43	-1.0	-38.64	366.92	5.89	-32.75
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020306574	0	40	-1.0	-40.49	346.51	5.12	-35.37
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020306574	1	40	-1.0	-40.54	346.56	5.15	-35.39
CC1=NC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=NO1	REAL300020306575	0	50	-1.0	-43.60	410.52	6.15	-37.45
CC1=NC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=NO1	REAL300020306575	1	50	-1.0	-43.62	410.58	6.16	-37.46
CC1=NC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=NO1	REAL300020306576	0	47	-1.0	-45.18	388.14	5.50	-39.68
CC1=NC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=NO1	REAL300020306576	1	47	-1.0	-45.20	388.19	5.53	-39.67
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306577	0	52	-1.0	-39.93	402.77	8.98	-30.95
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306577	1	52	-1.0	-39.94	402.83	9.00	-30.94
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306578	0	49	-1.0	-42.98	380.43	9.12	-33.86
CC(C1=CC=CC=C1)C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306578	1	49	-1.0	-42.99	380.49	9.14	-33.85
CC(C)C1=NN=C2C(C)N(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCN12	REAL300020306579	0	51	-1.0	-44.82	414.47	7.63	-37.19
CC(C)C1=NN=C2C(C)N(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCN12	REAL300020306579	1	51	-1.0	-44.81	414.53	7.64	-37.17
CC(C)C1=NN=C2C(C)N(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN12	REAL300020306580	0	48	-1.0	-47.50	387.21	6.36	-41.14
CC(C)C1=NN=C2C(C)N(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN12	REAL300020306580	1	48	-1.0	-47.53	387.26	6.38	-41.15
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020306581	0	49	-1.0	-40.11	405.36	9.90	-30.21
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020306581	1	49	-1.0	-40.07	405.41	9.92	-30.15
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020306582	0	46	-1.0	-42.12	384.65	9.25	-32.87
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020306582	1	46	-1.0	-42.12	384.70	9.27	-32.85
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020306583	0	53	-1.0	-40.04	407.38	7.55	-32.49
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020306583	1	53	-1.0	-40.02	407.44	7.56	-32.46
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020306584	0	50	-1.0	-42.09	389.58	6.89	-35.20
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020306584	1	50	-1.0	-42.08	389.64	6.92	-35.16
O=S1(=O)NCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCN21	REAL300020306585	0	44	-1.0	-46.55	375.42	0.25	-46.30
O=S1(=O)NCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCN21	REAL300020306585	1	44	-1.0	-46.58	375.47	0.26	-46.32
O=S1(=O)NCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN21	REAL300020306586	0	41	-1.0	-47.46	345.24	-0.27	-47.73
O=S1(=O)NCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN21	REAL300020306586	1	41	-1.0	-47.49	345.30	-0.25	-47.74
N#C[C@@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@H]1CS(=O)(=O)C2	REAL300020306587	0	44	-1.0	-57.58	367.04	2.75	-54.83
N#C[C@@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@H]1CS(=O)(=O)C2	REAL300020306587	1	44	-1.0	-57.58	367.10	2.76	-54.82
N#C[C@@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]1CS(=O)(=O)C2	REAL300020306588	0	41	-1.0	-56.79	350.20	2.10	-54.69
N#C[C@@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]1CS(=O)(=O)C2	REAL300020306588	1	41	-1.0	-56.79	350.26	2.13	-54.66
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020306589	0	43	-1.0	-42.01	348.22	7.18	-34.83
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020306589	1	43	-1.0	-42.03	348.27	7.20	-34.83
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020306590	0	40	-1.0	-44.09	328.81	6.81	-37.28
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020306590	1	40	-1.0	-44.12	328.87	6.83	-37.29
CC1=CSC(CC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)=N1	REAL300020306591	0	48	-1.0	-41.73	401.22	7.54	-34.19
CC1=CSC(CC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)=N1	REAL300020306591	1	48	-1.0	-41.73	401.27	7.55	-34.18
CC1=CSC(CC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=N1	REAL300020306592	0	45	-1.0	-42.96	383.43	6.94	-36.02
CC1=CSC(CC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=N1	REAL300020306592	1	45	-1.0	-42.96	383.49	6.97	-35.99
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306593	0	42	-1.0	-47.10	357.79	4.97	-42.13
CN(CC1=CC=CC(=O)N1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306593	1	42	-1.0	-47.06	357.85	4.98	-42.08
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306594	0	39	-1.0	-46.66	343.41	3.99	-42.67
CN(CC1=CC=CC(=O)N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306594	1	39	-1.0	-46.62	343.36	3.96	-42.66
CN(CC1=CC=CC(=O)N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306595	0	46	-1.0	-48.41	388.42	6.99	-41.42
CN(CC1=CC=CC(=O)N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306595	1	46	-1.0	-48.37	388.46	6.99	-41.38
CN(CC1=NC(C2=CC=CS2)=NO1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306596	0	41	-1.0	-41.15	379.71	5.15	-36.00
CN(CC1=NC(C2=CC=CS2)=NO1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306596	1	41	-1.0	-41.21	379.74	5.09	-36.12
C#CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCC2=CC=CC=C21	REAL300020306597	0	51	-1.0	-40.54	401.79	10.15	-30.39
C#CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCC2=CC=CC=C21	REAL300020306597	1	51	-1.0	-40.57	401.85	10.16	-30.41
C#CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCCC2=CC=CC=C21	REAL300020306598	0	48	-1.0	-42.12	397.25	10.15	-31.97
C#CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCC2=CC=CC=C21	REAL300020306598	1	48	-1.0	-42.13	397.19	10.12	-32.01
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)O1	REAL300020306599	0	45	-1.0	-41.27	397.34	6.96	-34.31
COC(=O)C1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)O1	REAL300020306599	1	45	-1.0	-41.29	397.39	6.97	-34.32
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)O1	REAL300020306600	0	42	-1.0	-45.74	368.03	6.23	-39.51
COC(=O)C1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)O1	REAL300020306600	1	42	-1.0	-45.74	368.08	6.25	-39.49
FCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020306601	0	43	-1.0	-45.89	361.67	8.41	-37.48
FCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020306601	1	43	-1.0	-45.85	361.61	8.39	-37.46
FCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020306602	0	40	-1.0	-47.34	334.84	7.73	-39.61
FCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020306602	1	40	-1.0	-47.34	334.79	7.71	-39.63
FCCN1C(NC2=CN(C3CCC3)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020306603	0	47	-1.0	-47.50	390.05	10.35	-37.15
FCCN1C(NC2=CN(C3CCC3)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020306603	1	47	-1.0	-47.57	390.02	10.36	-37.21
COC1(C(F)(F)F)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306604	0	40	-1.0	-39.04	342.59	3.81	-35.23
COC1(C(F)(F)F)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306604	1	40	-1.0	-39.08	342.65	3.82	-35.26
COC1(C(F)(F)F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306605	0	37	-1.0	-39.47	319.20	3.34	-36.13
COC1(C(F)(F)F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306605	1	37	-1.0	-39.48	319.26	3.37	-36.11
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020306606	0	49	-1.0	-41.99	385.28	7.53	-34.46
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020306606	1	49	-1.0	-42.00	385.22	7.51	-34.49
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020306607	0	46	-1.0	-42.84	352.15	6.99	-35.85
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020306607	1	46	-1.0	-42.80	352.10	6.97	-35.83
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020306608	0	46	-1.0	-38.72	347.49	8.61	-30.11
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020306608	1	46	-1.0	-38.74	347.55	8.63	-30.11
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020306609	0	43	-1.0	-42.17	331.09	8.02	-34.15
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020306609	1	43	-1.0	-42.17	331.14	8.05	-34.12
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020306610	0	50	-1.0	-39.46	377.64	11.13	-28.33
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020306610	1	50	-1.0	-39.43	377.65	11.12	-28.31
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@]2(C)C1	REAL300020306611	0	49	0.0	-66.42	378.19	7.33	-59.09
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@]2(C)C1	REAL300020306611	1	49	0.0	-66.02	375.06	7.74	-58.28
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@]2(C)C1	REAL300020306611	1	49	0.0	-66.43	378.25	7.35	-59.08
C[N@H+]1C[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@]2(C)C1	REAL300020306611	1	49	0.0	-66.00	375.11	7.76	-58.24
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@]2(C)C1	REAL300020306612	0	46	0.0	-62.67	356.74	6.55	-56.12
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@]2(C)C1	REAL300020306612	1	46	0.0	-64.02	352.49	6.88	-57.14
C[N@@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@]2(C)C1	REAL300020306612	1	46	0.0	-62.70	356.79	6.58	-56.12
C[N@H+]1C[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@]2(C)C1	REAL300020306612	1	46	0.0	-64.05	352.55	6.90	-57.15
C[N@@H+]1C[C@@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)C[C@]2(C)C1	REAL300020306613	0	53	0.0	-70.84	406.04	9.27	-61.57
C[N@H+]1C[C@@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)C[C@]2(C)C1	REAL300020306613	1	53	0.0	-71.07	407.99	9.85	-61.22
C[N@@H+]1C[C@@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)C[C@]2(C)C1	REAL300020306613	1	53	0.0	-70.81	406.07	9.27	-61.54
C[N@H+]1C[C@@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)C[C@]2(C)C1	REAL300020306613	1	53	0.0	-71.10	408.02	9.84	-61.26
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306614	0	47	-1.0	-42.36	379.31	3.74	-38.62
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306614	1	47	-1.0	-42.36	379.36	3.75	-38.61
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306615	0	44	-1.0	-46.00	349.82	2.80	-43.20
NC(=O)[C@]12CCC[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306615	1	44	-1.0	-46.04	349.88	2.82	-43.22
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306616	0	48	-1.0	-38.65	379.17	8.57	-30.08
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306616	1	48	-1.0	-38.69	379.23	8.58	-30.11
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306617	0	45	-1.0	-41.80	357.63	8.31	-33.49
CC1=CC=CC(C)=C1CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306617	1	45	-1.0	-41.78	357.58	8.29	-33.49
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306618	0	48	-1.0	-44.31	406.47	7.43	-36.88
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306618	1	48	-1.0	-44.29	406.53	7.44	-36.85
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306619	0	45	-1.0	-45.50	384.90	6.66	-38.84
CN(CCC1=CC=C2OCOC2=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306619	1	45	-1.0	-45.50	384.95	6.69	-38.81
CN(CC1=CC(C#N)=CS1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306620	0	40	-1.0	-41.40	369.94	7.47	-33.93
CN(CC1=CC(C#N)=CS1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306620	1	40	-1.0	-41.42	370.00	7.48	-33.94
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306621	0	37	-1.0	-43.10	348.43	6.68	-36.42
CN(CC1=CC(C#N)=CS1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306621	1	37	-1.0	-43.10	348.48	6.71	-36.39
CN(CCN1CCNC(=O)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306622	0	48	-1.0	-47.26	388.42	1.50	-45.76
CN(CCN1CCNC(=O)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306622	1	48	-1.0	-47.32	388.47	1.52	-45.80
CN(CCN1CCNC(=O)C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306623	0	45	-1.0	-47.05	366.89	0.76	-46.29
CN(CCN1CCNC(=O)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306623	1	45	-1.0	-47.02	366.95	0.78	-46.24
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020306624	0	40	-1.0	-40.51	317.31	6.57	-33.94
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020306624	1	40	-1.0	-40.50	317.36	6.58	-33.92
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020306625	0	44	-1.0	-41.67	350.40	8.70	-32.97
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020306625	1	44	-1.0	-41.68	350.43	8.68	-33.00
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1CS(N)(=O)=O	REAL300020306626	0	47	-1.0	-53.20	386.25	1.75	-51.45
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1CS(N)(=O)=O	REAL300020306626	1	47	-1.0	-53.21	386.31	1.76	-51.45
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1CS(N)(=O)=O	REAL300020306627	0	44	-1.0	-51.40	363.44	0.87	-50.53
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1CS(N)(=O)=O	REAL300020306627	1	44	-1.0	-51.42	363.49	0.90	-50.52
C[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020306628	0	48	-1.0	-39.40	373.86	8.19	-31.21
C[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020306628	1	48	-1.0	-39.43	373.92	8.21	-31.22
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020306629	0	45	-1.0	-42.95	346.88	7.47	-35.48
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]1[C@H]1C=C[C@@H]2C1	REAL300020306629	1	45	-1.0	-42.96	346.94	7.50	-35.46
C[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020306630	0	50	-1.0	-40.18	369.96	8.23	-31.95
C[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020306630	1	50	-1.0	-40.20	370.02	8.24	-31.96
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020306631	0	47	-1.0	-42.34	347.37	7.75	-34.59
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]1[C@H]1CC[C@@H]2C1	REAL300020306631	1	47	-1.0	-42.35	347.42	7.77	-34.58
O=S1(=O)C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@H]2C1	REAL300020306632	0	43	-1.0	-48.48	356.84	3.04	-45.44
O=S1(=O)C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@H]2C1	REAL300020306632	1	43	-1.0	-48.45	356.90	3.06	-45.39
O=S1(=O)C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]2C1	REAL300020306633	0	40	-1.0	-48.66	337.78	2.39	-46.27
O=S1(=O)C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]2C1	REAL300020306633	1	40	-1.0	-48.68	337.83	2.42	-46.26
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020306634	0	50	-1.0	-40.78	405.25	9.71	-31.07
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020306634	1	50	-1.0	-40.76	405.30	9.73	-31.03
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020306635	0	47	-1.0	-43.16	388.52	9.07	-34.09
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020306635	1	47	-1.0	-43.20	388.58	9.10	-34.10
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020306636	0	45	-1.0	-42.18	362.16	5.17	-37.01
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020306636	1	45	-1.0	-42.20	362.22	5.19	-37.01
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020306637	0	42	-1.0	-44.57	343.13	4.29	-40.28
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020306637	1	42	-1.0	-44.62	343.18	4.32	-40.30
CN1N=NC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306638	0	42	-1.0	-45.86	357.11	4.79	-41.07
CN1N=NC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306638	1	42	-1.0	-45.89	357.17	4.81	-41.08
CN1N=NC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306639	0	39	-1.0	-45.95	329.58	4.17	-41.78
CN1N=NC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306639	1	39	-1.0	-45.90	329.52	4.14	-41.76
CN1N=NC2=C1CCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CCF)C2	REAL300020306640	0	46	-1.0	-50.66	374.21	5.96	-44.70
CN1N=NC2=C1CCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CCF)C2	REAL300020306640	1	46	-1.0	-50.65	374.24	5.95	-44.70
CCOC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306641	0	45	-1.0	-44.29	369.62	6.99	-37.30
CCOC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306641	1	45	-1.0	-44.27	369.67	7.01	-37.26
CCOC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306642	0	42	-1.0	-42.98	342.56	6.31	-36.67
CCOC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306642	1	42	-1.0	-42.96	342.61	6.33	-36.63
O=C1NCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)O1	REAL300020306643	0	45	-1.0	-51.85	373.59	3.17	-48.68
O=C1NCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)O1	REAL300020306643	1	45	-1.0	-51.88	373.65	3.19	-48.69
O=C1NCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)O1	REAL300020306644	0	42	-1.0	-53.81	352.12	2.40	-51.41
O=C1NCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)O1	REAL300020306644	1	42	-1.0	-53.81	352.17	2.43	-51.38
O=C1NCCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)O1	REAL300020306645	0	48	-1.0	-52.90	379.35	4.16	-48.74
O=C1NCCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)O1	REAL300020306645	1	48	-1.0	-52.90	379.41	4.18	-48.72
O=C1NCCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)O1	REAL300020306646	0	45	-1.0	-54.48	363.39	3.57	-50.91
O=C1NCCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)O1	REAL300020306646	1	45	-1.0	-54.54	363.45	3.60	-50.94
O=C1NC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)CO1	REAL300020306647	0	48	-1.0	-48.66	386.35	4.42	-44.24
O=C1NC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)CO1	REAL300020306647	1	48	-1.0	-48.62	386.41	4.44	-44.18
O=C1NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)CO1	REAL300020306648	0	45	-1.0	-50.77	364.39	3.81	-46.96
O=C1NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)CO1	REAL300020306648	1	45	-1.0	-50.77	364.45	3.83	-46.94
CC(C)CNC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306649	0	55	-1.0	-42.84	442.30	6.82	-36.02
CC(C)CNC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306649	1	55	-1.0	-42.86	442.35	6.83	-36.03
CC(C)CNC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306650	0	52	-1.0	-47.33	417.65	6.14	-41.19
CC(C)CNC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306650	1	52	-1.0	-47.28	417.71	6.17	-41.11
CCS(=O)(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306651	0	47	-1.0	-44.24	395.51	3.51	-40.73
CCS(=O)(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306651	1	47	-1.0	-44.26	395.57	3.53	-40.73
CCS(=O)(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306652	0	44	-1.0	-45.50	377.71	2.84	-42.66
CCS(=O)(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306652	1	44	-1.0	-45.45	377.77	2.87	-42.58
NC(=O)C12CCC(CC1)N2C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306653	0	44	-1.0	-47.57	349.23	2.57	-45.00
NC(=O)C12CCC(CC1)N2C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306653	1	44	-1.0	-47.57	349.29	2.58	-44.99
NC(=O)C12CCC(CC1)N2C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306654	0	41	-1.0	-48.84	327.66	1.97	-46.87
NC(=O)C12CCC(CC1)N2C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306654	1	41	-1.0	-48.80	327.60	1.94	-46.86
NC(=O)C12CCC(CC1)N2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306655	0	48	-1.0	-42.21	378.67	4.57	-37.64
NC(=O)C12CCC(CC1)N2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306655	1	48	-1.0	-42.23	378.70	4.55	-37.68
NS(=O)(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306656	0	44	-1.0	-48.81	369.08	1.12	-47.69
NS(=O)(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306656	1	44	-1.0	-48.80	369.13	1.13	-47.67
NS(=O)(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306657	0	41	-1.0	-49.02	350.14	0.50	-48.52
NS(=O)(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306657	1	41	-1.0	-49.04	350.21	0.53	-48.51
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020306658	0	40	-1.0	-46.79	350.93	6.22	-40.57
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020306658	1	40	-1.0	-46.76	350.87	6.21	-40.55
CSCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306659	0	46	-1.0	-39.90	382.60	7.93	-31.97
CSCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306659	1	46	-1.0	-39.90	382.66	7.95	-31.95
CSCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306660	0	43	-1.0	-42.74	364.79	7.27	-35.47
CSCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306660	1	43	-1.0	-42.75	364.84	7.30	-35.45
N#C[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@H]1CS(=O)(=O)C2	REAL300020306661	0	44	-1.0	-49.62	383.29	3.11	-46.51
N#C[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@H]1CS(=O)(=O)C2	REAL300020306661	1	44	-1.0	-49.60	383.35	3.12	-46.48
N#C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]1CS(=O)(=O)C2	REAL300020306662	0	41	-1.0	-53.94	351.09	2.53	-51.41
N#C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]1CS(=O)(=O)C2	REAL300020306662	1	41	-1.0	-53.98	351.14	2.55	-51.43
CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306663	0	43	-1.0	-40.51	357.58	5.59	-34.92
CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306663	1	43	-1.0	-40.54	357.64	5.60	-34.94
CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306664	0	40	-1.0	-41.50	316.49	4.29	-37.21
CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306664	1	40	-1.0	-41.57	316.56	4.29	-37.28
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020306665	0	47	-1.0	-42.68	376.77	7.28	-35.40
CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020306665	1	47	-1.0	-42.61	376.81	7.29	-35.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020306666	0	40	-1.0	-41.77	355.74	5.69	-36.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020306666	1	40	-1.0	-41.79	355.80	5.71	-36.08
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020306667	0	47	-1.0	-41.16	389.99	7.54	-33.62
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020306667	1	47	-1.0	-41.17	390.05	7.55	-33.62
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020306668	0	44	-1.0	-47.70	361.03	5.92	-41.78
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020306668	1	44	-1.0	-47.69	361.09	5.94	-41.75
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1NC(=O)OC(C)(C)C	REAL300020306669	0	53	-1.0	-43.66	421.50	5.28	-38.38
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1NC(=O)OC(C)(C)C	REAL300020306669	1	53	-1.0	-43.65	421.55	5.30	-38.35
COC1=CC=CC(C2(F)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=C1	REAL300020306670	0	47	-1.0	-43.10	387.68	7.58	-35.52
COC1=CC=CC(C2(F)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=C1	REAL300020306670	1	47	-1.0	-43.13	387.73	7.60	-35.53
CCN(CCC(=O)NC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306671	0	45	-1.0	-49.48	367.71	3.19	-46.29
CCN(CCC(=O)NC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306671	1	45	-1.0	-49.53	367.76	3.20	-46.33
CCN(CCC(=O)NC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306672	0	42	-1.0	-52.73	346.28	2.40	-50.33
CCN(CCC(=O)NC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306672	1	42	-1.0	-52.78	346.33	2.43	-50.35
CCN(CCC(=O)NC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306673	0	49	-1.0	-51.14	391.50	4.94	-46.20
CCN(CCC(=O)NC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306673	1	49	-1.0	-51.10	391.52	4.93	-46.17
CC(C)(C)C1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020306674	0	52	-1.0	-40.43	423.89	7.82	-32.61
CC(C)(C)C1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020306674	1	52	-1.0	-40.47	423.95	7.83	-32.64
CC(C)(C)C1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020306675	0	49	-1.0	-42.45	396.46	7.16	-35.29
CC(C)(C)C1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020306675	1	49	-1.0	-42.45	396.52	7.19	-35.26
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020306676	0	46	-1.0	-41.28	368.67	8.39	-32.89
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020306676	1	46	-1.0	-41.29	368.73	8.40	-32.89
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020306677	0	43	-1.0	-43.07	354.34	7.73	-35.34
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020306677	1	43	-1.0	-43.05	354.40	7.75	-35.30
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020306678	0	40	-1.0	-41.02	342.22	6.59	-34.43
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020306678	1	40	-1.0	-41.04	342.27	6.60	-34.44
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020306679	0	37	-1.0	-42.69	322.26	6.60	-36.09
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020306679	1	37	-1.0	-42.70	322.19	6.58	-36.12
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020306680	0	44	-1.0	-42.29	371.61	9.27	-33.02
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020306680	1	44	-1.0	-42.28	371.68	9.26	-33.02
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306681	0	55	-1.0	-39.65	433.21	10.76	-28.89
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306681	1	55	-1.0	-39.61	433.27	10.77	-28.84
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306682	0	52	-1.0	-43.04	412.26	10.21	-32.83
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306682	1	52	-1.0	-43.05	412.31	10.23	-32.82
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020306683	0	50	-1.0	-41.80	403.52	8.67	-33.13
COC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020306683	1	50	-1.0	-41.76	403.58	8.68	-33.08
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020306684	0	47	-1.0	-43.74	372.61	7.82	-35.92
COC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020306684	1	47	-1.0	-43.79	372.66	7.85	-35.94
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020306685	0	43	-1.0	-40.29	372.29	8.48	-31.81
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020306685	1	43	-1.0	-40.29	372.34	8.50	-31.79
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020306686	0	40	-1.0	-43.40	344.66	7.81	-35.59
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020306686	1	40	-1.0	-43.37	344.72	7.84	-35.53
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020306687	0	51	-1.0	-41.15	396.71	5.94	-35.21
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020306687	1	51	-1.0	-41.17	396.76	5.96	-35.21
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020306688	0	48	-1.0	-43.29	379.34	5.51	-37.78
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020306688	1	48	-1.0	-43.31	379.40	5.52	-37.79
C#CCN(CC(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306689	0	43	-1.0	-39.20	362.40	7.90	-31.30
C#CCN(CC(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306689	1	43	-1.0	-39.22	362.46	7.91	-31.31
C#CCN(CC(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306690	0	40	-1.0	-42.32	338.16	6.75	-35.57
C#CCN(CC(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306690	1	40	-1.0	-42.30	338.11	6.73	-35.57
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306691	0	47	-1.0	-42.25	387.50	9.41	-32.84
C#CCN(CC(C)C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306691	1	47	-1.0	-42.23	387.54	9.40	-32.83
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2=CC=CC=C2O1	REAL300020306692	0	48	-1.0	-42.13	394.91	9.02	-33.11
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2=CC=CC=C2O1	REAL300020306692	1	48	-1.0	-42.12	394.97	9.03	-33.09
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2=CC=CC=C2O1	REAL300020306693	0	45	-1.0	-43.13	379.04	8.14	-34.99
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2=CC=CC=C2O1	REAL300020306693	1	45	-1.0	-43.18	378.98	8.12	-35.06
CC1=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2=CC=CC=C2O1	REAL300020306694	0	48	-1.0	-42.13	394.91	9.02	-33.11
CC1=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2=CC=CC=C2O1	REAL300020306694	1	48	-1.0	-42.12	394.97	9.03	-33.09
CC1=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2=CC=CC=C2O1	REAL300020306695	0	45	-1.0	-43.13	379.04	8.14	-34.99
CC1=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2=CC=CC=C2O1	REAL300020306695	1	45	-1.0	-43.18	378.98	8.12	-35.06
C=CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306696	0	46	-1.0	-40.59	362.85	7.58	-33.01
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C=CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306697	1	43	-1.0	-41.98	346.25	6.97	-35.01
C=CCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306698	0	50	-1.0	-41.78	396.07	9.71	-32.07
C=CCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306698	1	50	-1.0	-41.76	396.11	9.70	-32.06
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020306699	0	54	-1.0	-42.01	434.45	9.45	-32.56
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020306699	1	54	-1.0	-41.99	434.39	9.44	-32.55
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020306700	0	51	-1.0	-43.78	416.58	8.78	-35.00
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020306700	1	51	-1.0	-43.80	416.63	8.80	-35.00
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020306701	0	43	-1.0	-42.06	322.34	5.87	-36.19
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020306701	1	43	-1.0	-42.06	322.40	5.89	-36.17
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020306702	0	40	-1.0	-43.54	299.81	5.37	-38.17
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020306702	1	40	-1.0	-43.52	299.86	5.39	-38.13
O=C1CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)CN1	REAL300020306703	0	50	-1.0	-45.98	403.34	5.10	-40.88
O=C1CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)CN1	REAL300020306703	1	50	-1.0	-46.02	403.39	5.11	-40.91
O=C1CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)CN1	REAL300020306704	0	47	-1.0	-46.53	377.70	4.37	-42.16
O=C1CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)CN1	REAL300020306704	1	47	-1.0	-46.55	377.76	4.38	-42.17
N#CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020306705	0	44	-1.0	-43.79	369.96	7.84	-35.95
N#CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020306705	1	44	-1.0	-43.80	370.02	7.85	-35.95
N#CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020306706	0	41	-1.0	-44.98	349.51	7.05	-37.93
N#CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020306706	1	41	-1.0	-44.98	349.46	7.02	-37.96
NC(=O)C1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020306707	0	47	-1.0	-48.11	384.26	4.19	-43.92
NC(=O)C1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020306707	1	47	-1.0	-48.14	384.32	4.20	-43.94
NC(=O)C1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020306708	0	44	-1.0	-51.64	362.75	3.37	-48.27
NC(=O)C1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020306708	1	44	-1.0	-51.68	362.81	3.40	-48.28
CCOC(=O)C(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306709	0	49	-1.0	-47.21	409.77	7.92	-39.29
CCOC(=O)C(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306709	1	49	-1.0	-47.23	409.83	7.94	-39.29
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306710	0	46	-1.0	-39.41	363.56	7.92	-31.49
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306710	1	46	-1.0	-39.43	363.61	7.94	-31.49
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306711	0	43	-1.0	-40.41	345.03	7.37	-33.04
CC(C)[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306711	1	43	-1.0	-40.42	345.09	7.39	-33.03
CC(C)[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CCF)C2	REAL300020306712	0	50	-1.0	-40.78	388.89	9.94	-30.84
CC(C)[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CCF)C2	REAL300020306712	1	50	-1.0	-40.73	388.91	9.93	-30.80
O=S1(=O)CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2C1	REAL300020306713	0	46	-1.0	-47.77	377.09	4.00	-43.77
O=S1(=O)CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2C1	REAL300020306713	1	46	-1.0	-47.77	377.15	4.01	-43.76
O=S1(=O)CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2C1	REAL300020306714	0	43	-1.0	-48.27	355.58	3.21	-45.06
O=S1(=O)CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2C1	REAL300020306714	1	43	-1.0	-48.23	355.64	3.24	-44.99
C#CCN(CCO)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306715	0	38	-1.0	-43.07	329.65	2.53	-40.54
C#CCN(CCO)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306715	1	38	-1.0	-43.11	329.71	2.55	-40.56
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306716	0	42	-1.0	-44.56	357.40	4.46	-40.10
C#CCN(CCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306716	1	42	-1.0	-44.49	357.44	4.44	-40.05
CC1=CC=C(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020306717	0	50	-1.0	-39.12	417.08	10.51	-28.61
CC1=CC=C(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020306717	1	50	-1.0	-39.12	417.14	10.52	-28.60
CC1=CC=C(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020306718	0	47	-1.0	-41.87	389.51	9.83	-32.04
CC1=CC=C(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020306718	1	47	-1.0	-41.89	389.57	9.85	-32.04
COC1=CC=C(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020306719	0	50	-1.0	-42.67	406.92	8.41	-34.26
COC1=CC=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020306719	1	50	-1.0	-42.69	406.97	8.43	-34.26
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020306720	0	43	-1.0	-40.62	337.36	7.47	-33.15
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020306720	1	43	-1.0	-40.56	337.41	7.48	-33.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020306721	0	40	-1.0	-41.34	310.53	6.81	-34.53
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020306721	1	40	-1.0	-41.28	310.47	6.78	-34.50
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020306722	0	47	-1.0	-41.80	365.03	9.43	-32.37
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020306722	1	47	-1.0	-41.78	365.07	9.42	-32.36
CCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306723	0	45	-1.0	-39.72	354.84	6.54	-33.18
CCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306723	1	45	-1.0	-39.77	354.89	6.55	-33.22
CCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306724	0	42	-1.0	-41.83	338.03	5.93	-35.90
CCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306724	1	42	-1.0	-41.83	338.09	5.96	-35.87
CCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306725	0	49	-1.0	-40.87	387.37	8.72	-32.15
CCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306725	1	49	-1.0	-40.86	387.41	8.71	-32.15
C[C@]12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@H]1CS(=O)(=O)C2	REAL300020306726	0	46	-1.0	-46.22	377.86	3.44	-42.78
C[C@]12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@H]1CS(=O)(=O)C2	REAL300020306726	1	46	-1.0	-46.22	377.92	3.46	-42.76
C[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]1CS(=O)(=O)C2	REAL300020306727	0	43	-1.0	-48.66	351.68	2.97	-45.69
C[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]1CS(=O)(=O)C2	REAL300020306727	1	43	-1.0	-48.65	351.73	2.99	-45.66
COC(=O)C1(C2(O)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)CCC1	REAL300020306728	0	50	-1.0	-44.10	392.71	4.82	-39.28
COC(=O)C1(C2(O)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)CCC1	REAL300020306728	1	50	-1.0	-44.11	392.76	4.84	-39.27
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020306729	0	45	-1.0	-43.41	374.76	5.51	-37.90
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020306729	1	45	-1.0	-43.44	374.70	5.49	-37.95
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020306730	0	42	-1.0	-47.40	350.70	4.97	-42.43
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020306730	1	42	-1.0	-47.40	350.65	4.94	-42.46
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020306731	0	47	-1.0	-41.55	376.07	6.40	-35.15
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020306731	1	47	-1.0	-41.52	376.12	6.42	-35.10
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020306732	0	44	-1.0	-43.88	354.53	5.62	-38.26
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020306732	1	44	-1.0	-43.87	354.58	5.64	-38.23
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020306733	0	51	-1.0	-42.91	391.53	8.45	-34.46
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020306733	1	51	-1.0	-42.86	391.62	8.44	-34.42
C#CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306734	0	45	-1.0	-40.53	382.90	6.82	-33.71
C#CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306734	1	45	-1.0	-40.52	382.95	6.84	-33.68
C#CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306735	0	42	-1.0	-42.30	361.39	6.04	-36.26
C#CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306735	1	42	-1.0	-42.32	361.45	6.06	-36.26
C#CCOC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020306736	0	49	-1.0	-43.28	399.15	8.89	-34.39
C#CCOC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020306736	1	49	-1.0	-43.15	399.17	8.87	-34.28
O=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCCN1	REAL300020306737	0	43	-1.0	-45.32	345.10	3.24	-42.08
O=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCCN1	REAL300020306737	1	43	-1.0	-45.32	345.16	3.26	-42.06
O=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCCN1	REAL300020306738	0	40	-1.0	-45.23	323.27	2.64	-42.59
O=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCCN1	REAL300020306738	1	40	-1.0	-45.28	323.33	2.65	-42.63
O=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCCN1	REAL300020306739	0	47	-1.0	-46.49	377.18	5.68	-40.81
O=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCCN1	REAL300020306739	1	47	-1.0	-46.43	377.22	5.68	-40.75
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC12CCCCC2	REAL300020306740	0	52	-1.0	-45.07	399.17	7.84	-37.23
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC12CCCCC2	REAL300020306740	1	52	-1.0	-45.04	399.23	7.87	-37.17
CN(C)C1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020306741	0	49	-1.0	-44.18	408.96	7.11	-37.07
CN(C)C1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020306741	1	49	-1.0	-44.16	409.01	7.14	-37.02
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020306742	0	46	-1.0	-41.81	394.62	6.86	-34.95
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020306742	1	46	-1.0	-41.83	394.68	6.89	-34.94
CC(=O)NC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020306743	0	46	-1.0	-52.14	390.24	7.24	-44.90
CC(=O)NC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020306743	1	46	-1.0	-52.08	390.30	7.25	-44.83
CC(=O)NC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020306744	0	43	-1.0	-58.81	369.95	6.55	-52.26
CC(=O)NC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020306744	1	43	-1.0	-58.77	369.89	6.52	-52.25
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020306745	0	47	-1.0	-40.55	389.73	8.06	-32.49
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020306745	1	47	-1.0	-40.61	389.79	8.08	-32.53
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020306746	0	44	-1.0	-40.16	358.64	9.16	-31.00
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020306746	1	44	-1.0	-40.09	358.70	9.17	-30.92
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020306747	0	41	-1.0	-43.26	330.77	8.37	-34.89
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020306747	1	41	-1.0	-43.26	330.82	8.38	-34.88
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1C	REAL300020306748	0	55	-1.0	-39.55	430.38	10.90	-28.65
CC1=CC=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1C	REAL300020306748	1	55	-1.0	-39.57	430.43	10.91	-28.66
CC1=CC=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1C	REAL300020306749	0	52	-1.0	-40.84	409.37	10.12	-30.72
CC1=CC=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1C	REAL300020306749	1	52	-1.0	-40.85	409.42	10.14	-30.71
CO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@@H]1F	REAL300020306750	0	43	-1.0	-40.02	357.16	5.28	-34.74
CO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1F	REAL300020306750	1	43	-1.0	-40.02	357.22	5.29	-34.73
CO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@@H]1F	REAL300020306751	0	40	-1.0	-41.65	339.04	4.62	-37.03
CO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1F	REAL300020306751	1	40	-1.0	-41.67	339.09	4.65	-37.02
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C[C@@H]1F	REAL300020306752	0	47	-1.0	-42.29	382.90	7.52	-34.77
CO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C[C@@H]1F	REAL300020306752	1	47	-1.0	-42.29	382.95	7.51	-34.78
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020306753	0	47	-1.0	-44.09	383.22	7.85	-36.24
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020306753	1	47	-1.0	-44.06	383.28	7.86	-36.20
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020306754	0	44	-1.0	-42.82	369.57	7.43	-35.39
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020306754	1	44	-1.0	-42.82	369.63	7.46	-35.36
COC(=O)CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306755	0	45	-1.0	-41.79	366.72	6.77	-35.02
COC(=O)CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306755	1	45	-1.0	-41.77	366.78	6.78	-34.99
COC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306756	0	42	-1.0	-43.09	348.72	6.17	-36.92
COC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306756	1	42	-1.0	-43.07	348.78	6.19	-36.88
COC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2=C1	REAL300020306757	0	44	-1.0	-47.63	359.73	9.40	-38.23
COC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2=C1	REAL300020306757	1	44	-1.0	-47.61	359.78	9.41	-38.20
COC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2=C1	REAL300020306758	0	41	-1.0	-50.02	332.85	8.73	-41.29
COC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2=C1	REAL300020306758	1	41	-1.0	-50.02	332.79	8.71	-41.31
CC[N@@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306759	0	51	0.0	-60.62	386.91	8.05	-52.57
CC[N@H+]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306759	1	51	0.0	-61.68	383.17	7.92	-53.76
CC[N@@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306759	1	51	0.0	-60.62	386.97	8.06	-52.56
CC[N@H+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306759	1	51	0.0	-61.66	383.22	7.93	-53.73
CC[N@@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306760	0	48	0.0	-58.38	366.07	7.05	-51.33
CC[N@H+]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020306760	1	48	0.0	-58.72	362.22	7.10	-51.62
CC[N@@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306760	1	48	0.0	-58.37	366.12	7.08	-51.29
CC[N@H+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020306760	1	48	0.0	-58.65	362.27	7.12	-51.53
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1(C)C	REAL300020306761	0	55	0.0	-66.81	411.15	10.00	-56.81
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1(C)C	REAL300020306761	1	55	0.0	-66.36	411.47	9.86	-56.50
CC[N@@H+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1(C)C	REAL300020306761	1	55	0.0	-66.80	411.12	10.00	-56.80
CC[N@H+]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1(C)C	REAL300020306761	1	55	0.0	-66.37	411.44	9.87	-56.50
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020306762	0	50	-1.0	-44.98	400.86	9.14	-35.84
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020306762	1	50	-1.0	-44.93	400.91	9.15	-35.78
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020306763	0	47	-1.0	-48.95	379.29	8.35	-40.60
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=CN2C1CCC1	REAL300020306763	1	47	-1.0	-48.95	379.34	8.37	-40.58
C[C@]12C[C@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306764	0	40	-1.0	-38.86	331.41	6.69	-32.17
C[C@]12C[C@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306764	1	40	-1.0	-38.85	331.47	6.70	-32.15
C[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CCF)C2	REAL300020306765	0	44	-1.0	-40.99	357.99	8.77	-32.22
C[C@]12C[C@H]1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CCF)C2	REAL300020306765	1	44	-1.0	-40.97	358.03	8.76	-32.21
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020306766	0	49	-1.0	-42.51	405.55	9.59	-32.92
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020306766	1	49	-1.0	-42.48	405.61	9.61	-32.87
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020306767	0	46	-1.0	-45.19	380.95	9.04	-36.15
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020306767	1	46	-1.0	-45.19	381.00	9.07	-36.12
CC(C)(C)OC(=O)C1(C)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306768	0	54	-1.0	-47.21	422.25	8.96	-38.25
CC(C)(C)OC(=O)C1(C)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306768	1	54	-1.0	-47.20	422.31	8.97	-38.23
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020306769	0	49	-1.0	-39.08	367.95	8.41	-30.67
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020306769	1	49	-1.0	-39.08	368.01	8.43	-30.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020306770	0	46	-1.0	-40.88	351.77	7.84	-33.04
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020306770	1	46	-1.0	-40.86	351.82	7.86	-33.00
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020306771	0	53	-1.0	-40.36	399.56	10.57	-29.79
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020306771	1	53	-1.0	-40.31	399.62	10.56	-29.75
CC1=NN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020306772	0	43	-1.0	-40.83	363.74	5.93	-34.90
CC1=NN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020306772	1	43	-1.0	-40.84	363.80	5.95	-34.89
CC1=NN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020306773	0	40	-1.0	-42.77	336.37	5.30	-37.47
CC1=NN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020306773	1	40	-1.0	-42.75	336.31	5.28	-37.47
CC1=NN2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CC2=C1	REAL300020306774	0	47	-1.0	-46.97	379.56	7.72	-39.25
CC1=NN2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CC2=C1	REAL300020306774	1	47	-1.0	-46.99	379.60	7.71	-39.28
O=C1OC2=CC=CC=C2N1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306775	0	46	-1.0	-53.83	388.67	7.73	-46.10
O=C1OC2=CC=CC=C2N1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306775	1	46	-1.0	-53.83	388.73	7.76	-46.07
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCOCC1	REAL300020306776	0	48	-1.0	-40.31	383.70	5.93	-34.38
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCOCC1	REAL300020306776	1	48	-1.0	-40.36	383.76	5.94	-34.42
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCOCC1	REAL300020306777	0	45	-1.0	-42.17	366.39	5.36	-36.81
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCOCC1	REAL300020306777	1	45	-1.0	-42.13	366.45	5.39	-36.74
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCCC1	REAL300020306778	0	47	-1.0	-40.32	379.72	7.97	-32.35
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCCC1	REAL300020306778	1	47	-1.0	-40.34	379.78	7.98	-32.36
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCCC1	REAL300020306779	0	44	-1.0	-43.39	359.12	7.30	-36.09
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCCC1	REAL300020306779	1	44	-1.0	-43.39	359.18	7.33	-36.06
C#CCCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCCC1	REAL300020306780	0	51	-1.0	-41.98	406.34	9.83	-32.15
C#CCCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCCC1	REAL300020306780	1	51	-1.0	-41.93	406.38	9.81	-32.12
CC1=CC=NC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020306781	0	50	-1.0	-42.51	413.26	7.86	-34.65
CC1=CC=NC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020306781	1	50	-1.0	-42.53	413.31	7.87	-34.66
CC1=CC=NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020306782	0	47	-1.0	-43.56	388.42	6.95	-36.61
CC1=CC=NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020306782	1	47	-1.0	-43.57	388.47	6.97	-36.60
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H](C)N1CC(F)(F)F	REAL300020306783	0	47	-1.0	-41.71	376.56	4.74	-36.97
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H](C)N1CC(F)(F)F	REAL300020306783	1	47	-1.0	-41.72	376.62	4.76	-36.96
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020306784	0	40	-1.0	-40.06	348.30	7.93	-32.13
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020306784	1	40	-1.0	-40.10	348.36	7.94	-32.16
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020306785	0	37	-1.0	-41.51	336.61	6.94	-34.57
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020306785	1	37	-1.0	-41.51	336.55	6.92	-34.59
O=S1(=O)CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@@H]21	REAL300020306786	0	43	-1.0	-50.30	350.34	3.08	-47.22
O=S1(=O)CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@@H]21	REAL300020306786	1	43	-1.0	-50.34	350.39	3.10	-47.24
O=S1(=O)CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@@H]21	REAL300020306787	0	40	-1.0	-55.18	333.71	2.45	-52.73
O=S1(=O)CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@@H]21	REAL300020306787	1	40	-1.0	-55.15	333.77	2.47	-52.68
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020306788	0	43	-1.0	-41.15	349.91	7.40	-33.75
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020306788	1	43	-1.0	-41.19	349.97	7.41	-33.78
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020306789	0	40	-1.0	-42.12	322.96	6.71	-35.41
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020306789	1	40	-1.0	-42.13	323.02	6.74	-35.39
C=CCCCN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306790	0	45	-1.0	-39.59	363.97	6.99	-32.60
C=CCCCN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306790	1	45	-1.0	-39.58	364.02	7.01	-32.57
C=CCCCN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306791	0	42	-1.0	-42.20	342.60	6.23	-35.97
C=CCCCN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306791	1	42	-1.0	-42.19	342.54	6.21	-35.98
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306792	0	49	-1.0	-41.31	387.92	8.75	-32.56
C=CCCCN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306792	1	49	-1.0	-41.26	387.98	8.74	-32.52
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306793	0	44	-1.0	-40.26	354.81	7.20	-33.06
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306793	1	44	-1.0	-40.23	354.87	7.21	-33.02
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306794	0	41	-1.0	-41.66	332.05	6.64	-35.02
C[C@@]12CSC[C@@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306794	1	41	-1.0	-41.65	332.11	6.66	-34.99
CC1=CC=C(C)C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020306795	0	55	-1.0	-39.47	433.44	11.13	-28.34
CC1=CC=C(C)C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020306795	1	55	-1.0	-39.47	433.50	11.15	-28.32
CC1=CC=C(C)C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1	REAL300020306796	0	52	-1.0	-40.75	413.26	10.25	-30.50
CC1=CC=C(C)C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1	REAL300020306796	1	52	-1.0	-40.79	413.32	10.26	-30.53
CC1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=CC(C)=C1	REAL300020306797	0	55	-1.0	-39.22	438.82	10.94	-28.28
CC1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=CC(C)=C1	REAL300020306797	1	55	-1.0	-39.23	438.88	10.96	-28.27
CC1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=CC(C)=C1	REAL300020306798	0	52	-1.0	-41.28	421.00	10.28	-31.00
CC1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=CC(C)=C1	REAL300020306798	1	52	-1.0	-41.29	421.06	10.31	-30.98
C#CC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306799	0	38	-1.0	-42.24	315.64	6.33	-35.91
C#CC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306799	1	38	-1.0	-42.25	315.70	6.35	-35.90
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306800	0	42	-1.0	-43.20	353.02	8.85	-34.35
C#CC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306800	1	42	-1.0	-43.14	353.04	8.84	-34.30
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020306801	0	47	-1.0	-40.89	398.60	7.44	-33.45
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020306801	1	47	-1.0	-40.94	398.66	7.46	-33.48
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020306802	0	44	-1.0	-43.02	376.51	6.90	-36.12
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020306802	1	44	-1.0	-43.01	376.57	6.93	-36.08
COC(=O)C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCN2N=C1	REAL300020306803	0	46	-1.0	-47.03	390.05	5.36	-41.67
COC(=O)C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCN2N=C1	REAL300020306803	1	46	-1.0	-47.05	390.11	5.38	-41.67
COC(=O)C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN2N=C1	REAL300020306804	0	43	-1.0	-43.10	374.61	5.16	-37.94
COC(=O)C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN2N=C1	REAL300020306804	1	43	-1.0	-43.14	374.66	5.18	-37.96
CCC1C2=CC=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306805	0	46	-1.0	-40.29	362.78	8.10	-32.19
CCC1C2=CC=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306805	1	46	-1.0	-40.34	362.83	8.13	-32.21
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306806	0	43	-1.0	-43.58	346.02	7.49	-36.09
CCC1C2=CC=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306806	1	43	-1.0	-43.54	345.94	7.46	-36.08
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020306807	0	50	-1.0	-40.69	389.75	7.35	-33.34
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020306807	1	50	-1.0	-40.69	389.81	7.36	-33.33
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020306808	0	47	-1.0	-41.32	363.64	5.02	-36.30
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020306808	1	47	-1.0	-41.33	363.70	5.04	-36.29
CN(CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306809	0	49	-1.0	-43.02	418.10	9.16	-33.86
CN(CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306809	1	49	-1.0	-43.02	418.15	9.17	-33.85
CN(CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306810	0	46	-1.0	-47.55	396.39	8.26	-39.29
CN(CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306810	1	46	-1.0	-47.57	396.43	8.29	-39.28
C#CC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306811	0	41	-1.0	-40.16	344.36	6.66	-33.50
C#CC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306811	1	41	-1.0	-40.20	344.42	6.67	-33.53
C#CC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306812	0	38	-1.0	-42.04	321.02	6.05	-35.99
C#CC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306812	1	38	-1.0	-42.00	320.97	6.04	-35.96
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306813	0	45	-1.0	-43.26	362.13	9.32	-33.94
C#CC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306813	1	45	-1.0	-43.25	362.15	9.32	-33.93
CCOC1=CC=C(CCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020306814	0	52	-1.0	-42.27	419.14	8.95	-33.32
CCOC1=CC=C(CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020306814	1	52	-1.0	-42.30	419.20	8.96	-33.34
CCOC1=CC=C(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020306815	0	49	-1.0	-42.44	396.53	8.48	-33.96
CCOC1=CC=C(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020306815	1	49	-1.0	-42.49	396.58	8.49	-34.00
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020306816	0	46	-1.0	-45.78	396.17	3.94	-41.84
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NC(C3CC3)=NO2)C1	REAL300020306816	1	46	-1.0	-45.81	396.22	3.96	-41.85
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020306817	0	53	-1.0	-40.17	395.34	6.95	-33.22
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020306817	1	53	-1.0	-40.19	395.40	6.96	-33.23
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020306818	0	50	-1.0	-42.33	373.85	6.16	-36.17
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOC2)C1	REAL300020306818	1	50	-1.0	-42.38	373.91	6.19	-36.19
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020306819	0	48	-1.0	-39.93	391.55	4.75	-35.18
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020306819	1	48	-1.0	-39.94	391.61	4.76	-35.18
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020306820	0	45	-1.0	-40.82	369.60	4.15	-36.67
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2COC2)CC1	REAL300020306820	1	45	-1.0	-40.86	369.66	4.16	-36.70
CC1=CC=CC(C2=CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=C1C	REAL300020306821	0	53	-1.0	-39.22	431.90	11.09	-28.13
CC1=CC=CC(C2=CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=C1C	REAL300020306821	1	53	-1.0	-39.19	431.96	11.11	-28.08
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=C1C	REAL300020306822	0	50	-1.0	-40.92	406.37	10.36	-30.56
CC1=CC=CC(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=C1C	REAL300020306822	1	50	-1.0	-40.91	406.43	10.37	-30.54
CCCOC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306823	0	50	-1.0	-42.57	410.32	6.58	-35.99
CCCOC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306823	1	50	-1.0	-42.60	410.38	6.59	-36.01
CCCOC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306824	0	47	-1.0	-44.41	392.55	5.92	-38.49
CCCOC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306824	1	47	-1.0	-44.45	392.61	5.94	-38.51
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020306825	0	46	-1.0	-39.76	391.16	6.45	-33.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020306825	1	46	-1.0	-39.78	391.22	6.46	-33.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020306826	0	43	-1.0	-42.34	373.35	5.79	-36.55
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(F)(F)F)CC1	REAL300020306826	1	43	-1.0	-42.37	373.41	5.81	-36.56
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306827	0	43	-1.0	-44.42	354.70	3.65	-40.77
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306827	1	43	-1.0	-44.42	354.76	3.66	-40.76
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306828	0	40	-1.0	-44.30	336.32	3.13	-41.17
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306828	1	40	-1.0	-44.30	336.38	3.15	-41.15
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306829	0	47	-1.0	-48.79	384.15	5.86	-42.93
CN(C[C@@H]1CCC(=O)N1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306829	1	47	-1.0	-48.71	384.19	5.85	-42.86
CC(OC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1)C(F)(F)F	REAL300020306830	0	43	-1.0	-42.87	376.16	5.35	-37.52
CC(OC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1)C(F)(F)F	REAL300020306830	1	43	-1.0	-42.90	376.22	5.37	-37.53
CC(OC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1)C(F)(F)F	REAL300020306831	0	40	-1.0	-44.65	351.62	4.79	-39.86
CC(OC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1)C(F)(F)F	REAL300020306831	1	40	-1.0	-44.66	351.67	4.81	-39.85
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020306832	0	45	-1.0	-40.53	382.50	6.78	-33.75
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020306832	1	45	-1.0	-40.52	382.56	6.79	-33.73
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020306833	0	42	-1.0	-42.14	360.40	6.25	-35.89
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020306833	1	42	-1.0	-42.17	360.46	6.27	-35.90
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306834	0	46	-1.0	-43.70	368.36	11.38	-32.32
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306834	1	46	-1.0	-43.69	368.41	11.40	-32.29
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306835	0	43	-1.0	-45.65	346.28	10.87	-34.78
CCC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306835	1	43	-1.0	-45.66	346.23	10.84	-34.82
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020306836	0	43	-1.0	-39.80	337.26	7.07	-32.73
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020306836	1	43	-1.0	-39.81	337.32	7.08	-32.73
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020306837	0	40	-1.0	-41.70	317.95	6.40	-35.30
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020306837	1	40	-1.0	-41.69	318.00	6.43	-35.26
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020306838	0	47	-1.0	-41.06	364.48	8.99	-32.07
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020306838	1	47	-1.0	-41.03	364.51	8.98	-32.05
C=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020306839	0	41	-1.0	-41.46	328.91	7.30	-34.16
C=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020306839	1	41	-1.0	-41.43	328.94	7.28	-34.15
CN(CC(F)(F)F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306840	0	47	-1.0	-42.89	383.73	5.52	-37.37
CN(CC(F)(F)F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306840	1	47	-1.0	-42.89	383.79	5.55	-37.34
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306841	0	45	-1.0	-44.45	369.79	0.74	-43.71
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020306841	1	45	-1.0	-44.46	369.85	0.76	-43.70
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020306842	0	42	-1.0	-47.83	348.30	-0.04	-47.87
OC[C@]12C[C@@]1(CO)CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020306842	1	42	-1.0	-47.84	348.35	-0.01	-47.85
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC12CCOCC2	REAL300020306843	0	50	-1.0	-44.92	390.94	5.47	-39.45
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC12CCOCC2	REAL300020306843	1	50	-1.0	-44.93	391.00	5.50	-39.43
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020306844	0	45	-1.0	-39.27	356.21	5.74	-33.53
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020306844	1	45	-1.0	-39.29	356.26	5.76	-33.53
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020306845	0	42	-1.0	-40.09	326.09	4.89	-35.20
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020306845	1	42	-1.0	-40.10	326.15	4.91	-35.19
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020306846	0	49	-1.0	-42.98	384.52	7.73	-35.25
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020306846	1	49	-1.0	-43.02	384.56	7.73	-35.29
C=CCN(CCC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306847	0	42	-1.0	-39.03	350.01	7.19	-31.84
C=CCN(CCC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306847	1	42	-1.0	-39.03	350.07	7.21	-31.82
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306848	0	46	-1.0	-40.49	381.78	8.95	-31.54
C=CCN(CCC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306848	1	46	-1.0	-40.46	381.83	8.93	-31.53
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020306849	0	55	0.0	-66.36	425.96	10.43	-55.93
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020306849	1	55	0.0	-67.47	420.31	9.73	-57.74
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1CC1=CC=CC=C1	REAL300020306849	1	54	-1.0	-39.68	432.55	7.81	-31.87
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1CC1=CC=CC=C1	REAL300020306849	1	54	-1.0	-39.66	432.61	7.82	-31.84
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1CC1=CC=CC=C1	REAL300020306850	0	52	0.0	-64.38	405.14	9.62	-54.76
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1CC1=CC=CC=C1	REAL300020306850	1	52	0.0	-63.84	409.87	9.45	-54.39
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1CC1=CC=CC=C1	REAL300020306850	1	51	-1.0	-41.55	401.57	6.87	-34.68
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1CC1=CC=CC=C1	REAL300020306850	1	51	-1.0	-41.54	401.63	6.89	-34.65
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020306851	0	40	-1.0	-40.87	349.07	5.12	-35.75
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020306851	1	40	-1.0	-40.89	349.13	5.14	-35.75
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020306852	0	37	-1.0	-42.49	331.29	4.23	-38.26
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020306852	1	37	-1.0	-42.51	331.34	4.25	-38.26
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020306853	0	40	-1.0	-40.85	352.09	5.23	-35.62
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020306853	1	40	-1.0	-40.89	352.15	5.24	-35.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020306854	0	37	-1.0	-42.31	326.55	4.50	-37.81
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020306854	1	37	-1.0	-42.37	326.61	4.51	-37.86
CN(CC1=NN(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306855	0	42	-1.0	-42.73	362.16	5.64	-37.09
CN(CC1=NN(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306855	1	42	-1.0	-42.71	362.21	5.66	-37.05
CN(CC1=NN(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306856	0	39	-1.0	-44.35	340.73	4.88	-39.47
CN(CC1=NN(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306856	1	39	-1.0	-44.30	340.66	4.86	-39.44
CN(CC1=NN(C)C=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306857	0	46	-1.0	-44.05	384.63	7.94	-36.11
CN(CC1=NN(C)C=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306857	1	46	-1.0	-44.03	384.68	7.93	-36.10
CCOC(=O)C1(COC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306858	0	52	-1.0	-47.99	421.56	7.35	-40.64
CCOC(=O)C1(COC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306858	1	52	-1.0	-48.01	421.61	7.37	-40.64
CN1N=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCN2C1=O	REAL300020306859	0	43	-1.0	-43.36	368.29	5.82	-37.54
CN1N=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCN2C1=O	REAL300020306859	1	43	-1.0	-43.32	368.35	5.83	-37.49
CN1N=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN2C1=O	REAL300020306860	0	40	-1.0	-44.27	332.85	4.37	-39.90
CN1N=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN2C1=O	REAL300020306860	1	40	-1.0	-44.31	332.91	4.39	-39.92
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FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020306861	1	47	-1.0	-40.07	386.36	8.42	-31.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020306862	0	44	-1.0	-45.97	356.54	7.59	-38.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020306862	1	44	-1.0	-45.97	356.60	7.61	-38.36
N#CC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020306863	0	44	-1.0	-41.92	379.28	8.61	-33.31
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O=C1CCC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C1C2	REAL300020306866	0	42	-1.0	-51.00	330.61	6.46	-44.54
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O=C1CCC2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)C1C2	REAL300020306867	1	49	-1.0	-48.89	380.37	9.13	-39.76
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCOCC1	REAL300020306868	0	43	-1.0	-39.87	344.43	4.22	-35.65
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCOCC1	REAL300020306868	1	43	-1.0	-39.88	344.49	4.23	-35.65
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCOCC1	REAL300020306869	0	40	-1.0	-40.43	315.66	4.17	-36.26
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCOCC1	REAL300020306869	1	40	-1.0	-40.47	315.72	4.17	-36.30
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCOCC1	REAL300020306870	0	47	-1.0	-41.30	375.32	6.31	-34.99
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCOCC1	REAL300020306870	1	47	-1.0	-41.24	375.34	6.30	-34.94
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300020306871	0	44	-1.0	-43.49	373.26	7.28	-36.21
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300020306871	1	44	-1.0	-43.53	373.31	7.30	-36.23
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020306872	0	45	-1.0	-42.25	358.46	4.54	-37.71
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020306872	1	45	-1.0	-42.24	358.52	4.55	-37.69
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)COCCO2	REAL300020306873	0	42	-1.0	-45.42	333.33	3.57	-41.85
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)COCCO2	REAL300020306873	1	42	-1.0	-45.44	333.38	3.60	-41.84
CC1CCC(F)(F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306874	0	42	-1.0	-39.45	353.62	6.27	-33.18
CC1CCC(F)(F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306874	1	42	-1.0	-39.43	353.68	6.29	-33.14
CC1CCC(F)(F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306875	0	39	-1.0	-40.32	324.20	5.44	-34.88
CC1CCC(F)(F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306875	1	39	-1.0	-40.32	324.26	5.46	-34.86
CC1CCC(F)(F)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306876	0	46	-1.0	-41.04	378.57	8.07	-32.97
CC1CCC(F)(F)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306876	1	46	-1.0	-40.96	378.62	8.06	-32.90
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020306877	0	44	-1.0	-42.37	348.41	5.51	-36.86
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020306877	1	44	-1.0	-42.40	348.47	5.52	-36.88
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)C1	REAL300020306878	0	41	-1.0	-44.15	324.45	5.00	-39.15
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)C1	REAL300020306878	1	41	-1.0	-44.17	324.51	5.02	-39.15
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCO2)C1	REAL300020306879	0	48	-1.0	-42.42	376.41	7.51	-34.91
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCO2)C1	REAL300020306879	1	48	-1.0	-42.37	376.44	7.50	-34.87
O=S1(=O)CCC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@@H]21	REAL300020306880	0	46	-1.0	-46.44	367.81	3.74	-42.70
O=S1(=O)CCC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@@H]21	REAL300020306880	1	46	-1.0	-46.47	367.87	3.75	-42.72
O=S1(=O)CCC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@@H]21	REAL300020306881	0	43	-1.0	-48.73	345.27	3.14	-45.59
O=S1(=O)CCC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@@H]21	REAL300020306881	1	43	-1.0	-48.73	345.32	3.17	-45.56
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020306882	0	49	-1.0	-38.93	392.39	9.05	-29.88
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020306882	1	49	-1.0	-38.94	392.45	9.06	-29.88
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020306883	0	46	-1.0	-41.44	370.95	8.29	-33.15
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CCC1	REAL300020306883	1	46	-1.0	-41.43	370.90	8.27	-33.16
C[NH+](C)C1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2C1	REAL300020306884	0	55	0.0	-67.30	407.87	8.75	-58.55
C[NH+](C)C1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2C1	REAL300020306884	1	55	0.0	-67.27	407.93	8.77	-58.50
C[NH+](C)C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2C1	REAL300020306885	0	52	0.0	-69.32	387.12	7.99	-61.33
C[NH+](C)C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2C1	REAL300020306885	1	52	0.0	-69.37	387.18	8.01	-61.36
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1C(=O)OC	REAL300020306886	0	48	-1.0	-42.28	396.90	6.42	-35.86
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1C(=O)OC	REAL300020306886	1	48	-1.0	-42.31	396.96	6.43	-35.88
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1C(=O)OC	REAL300020306887	0	45	-1.0	-51.50	378.52	5.96	-45.54
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1C(=O)OC	REAL300020306887	1	45	-1.0	-51.54	378.58	5.98	-45.56
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCC2=CC=CC=C2C1	REAL300020306888	0	49	-1.0	-41.70	382.21	9.56	-32.14
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCC2=CC=CC=C2C1	REAL300020306888	1	49	-1.0	-41.71	382.26	9.58	-32.13
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCC2=CC=CC=C2C1	REAL300020306889	0	46	-1.0	-41.43	364.55	8.89	-32.54
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCC2=CC=CC=C2C1	REAL300020306889	1	46	-1.0	-41.47	364.61	8.91	-32.56
CCC1=NN(C)C(CC)=C1NC1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306890	0	48	-1.0	-45.65	399.61	8.32	-37.33
CCC1=NN(C)C(CC)=C1NC1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306890	1	48	-1.0	-45.64	399.67	8.33	-37.31
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306891	0	45	-1.0	-47.11	378.16	7.55	-39.56
CCC1=NN(C)C(CC)=C1NC1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306891	1	45	-1.0	-47.08	378.10	7.53	-39.55
CC1(C)COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306892	0	46	-1.0	-38.61	357.50	6.16	-32.45
CC1(C)COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306892	1	46	-1.0	-38.67	357.56	6.18	-32.49
CC1(C)COCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306893	0	43	-1.0	-42.53	316.85	3.91	-38.62
CC1(C)COCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306893	1	43	-1.0	-42.49	316.91	3.94	-38.55
CC1(C)COCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020306894	0	50	-1.0	-40.64	385.31	8.40	-32.24
CC1(C)COCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020306894	1	50	-1.0	-40.62	385.37	8.38	-32.24
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020306895	0	44	-1.0	-40.59	351.44	5.43	-35.16
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020306895	1	44	-1.0	-40.58	351.49	5.45	-35.13
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020306896	0	41	-1.0	-41.20	328.20	4.72	-36.48
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020306896	1	41	-1.0	-41.21	328.25	4.74	-36.47
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020306897	0	48	-1.0	-42.59	368.15	6.75	-35.84
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020306897	1	48	-1.0	-42.55	368.19	6.74	-35.81
C=CCCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306898	0	45	-1.0	-39.67	368.94	7.98	-31.69
C=CCCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306898	1	45	-1.0	-39.68	369.00	8.00	-31.68
C=CCCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306899	0	42	-1.0	-39.89	341.06	7.35	-32.54
C=CCCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306899	1	42	-1.0	-39.91	341.12	7.37	-32.54
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306900	0	49	-1.0	-40.44	404.58	9.88	-30.56
C=CCCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306900	1	49	-1.0	-40.47	404.63	9.87	-30.60
CC1=CC(C)=CC(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020306901	0	52	-1.0	-42.06	418.76	8.92	-33.14
CC1=CC(C)=CC(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020306901	1	52	-1.0	-42.09	418.82	8.93	-33.16
CC1=CC(C)=CC(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020306902	0	49	-1.0	-41.72	396.22	8.44	-33.28
CC1=CC(C)=CC(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020306902	1	49	-1.0	-42.02	395.47	8.45	-33.57
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[N@H+](CC)CC1	REAL300020306903	0	59	0.0	-65.46	420.49	6.82	-58.64
CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[N@@H+](CC)CC1	REAL300020306903	1	59	0.0	-65.87	420.36	6.77	-59.10
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+](CC)CC1	REAL300020306903	1	59	0.0	-65.46	420.55	6.83	-58.63
CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+](CC)CC1	REAL300020306903	1	59	0.0	-65.89	420.42	6.78	-59.11
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+](CC)CC1	REAL300020306904	0	56	0.0	-66.62	402.55	6.17	-60.45
CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+](CC)CC1	REAL300020306904	1	56	0.0	-59.96	383.32	8.53	-51.43
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+](CC)CC1	REAL300020306904	1	56	0.0	-66.63	402.61	6.19	-60.44
CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+](CC)CC1	REAL300020306904	1	56	0.0	-60.02	383.37	8.55	-51.47
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC(F)(F)C1	REAL300020306905	0	39	-1.0	-40.39	338.78	6.56	-33.83
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC(F)(F)C1	REAL300020306905	1	39	-1.0	-40.41	338.84	6.57	-33.84
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC(F)(F)C1	REAL300020306906	0	36	-1.0	-41.36	317.25	5.75	-35.61
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC(F)(F)C1	REAL300020306906	1	36	-1.0	-41.36	317.30	5.79	-35.57
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CC(F)(F)C1	REAL300020306907	0	43	-1.0	-42.96	363.28	8.70	-34.26
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CC(F)(F)C1	REAL300020306907	1	43	-1.0	-42.90	363.32	8.69	-34.21
COC1CCC1N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306908	0	43	-1.0	-40.73	347.40	5.26	-35.47
COC1CCC1N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306908	1	43	-1.0	-40.71	347.46	5.28	-35.43
COC1CCC1N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306909	0	40	-1.0	-42.15	316.60	4.55	-37.60
COC1CCC1N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306909	1	40	-1.0	-42.16	316.67	4.57	-37.59
COC1CCC1N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306910	0	47	-1.0	-42.10	385.76	7.26	-34.84
COC1CCC1N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306910	1	47	-1.0	-42.16	385.76	7.25	-34.91
C=CCO[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306911	0	44	-1.0	-41.50	357.11	5.75	-35.75
C=CCO[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306911	1	44	-1.0	-41.51	357.17	5.76	-35.75
C=CCO[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306912	0	41	-1.0	-43.86	340.54	5.11	-38.75
C=CCO[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306912	1	41	-1.0	-43.88	340.60	5.13	-38.75
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020306913	0	48	-1.0	-42.88	389.61	7.86	-35.02
C=CCO[C@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020306913	1	48	-1.0	-42.89	389.64	7.85	-35.04
C#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306914	0	44	-1.0	-40.46	369.28	8.11	-32.35
C#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306914	1	44	-1.0	-40.48	369.33	8.13	-32.35
C#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306915	0	41	-1.0	-42.86	347.77	7.33	-35.53
C#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306915	1	41	-1.0	-42.85	347.83	7.35	-35.50
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020306916	0	48	-1.0	-41.80	396.20	10.08	-31.72
C#CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020306916	1	48	-1.0	-41.83	396.24	10.08	-31.75
COC1=CC=CC(C2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020306917	0	50	-1.0	-44.02	402.33	8.85	-35.17
COC1=CC=CC(C2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020306917	1	50	-1.0	-44.07	402.38	8.87	-35.20
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020306918	0	47	-1.0	-46.72	384.35	8.26	-38.46
COC1=CC=CC(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020306918	1	47	-1.0	-46.70	384.41	8.29	-38.41
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300020306919	0	43	-1.0	-41.95	356.71	7.82	-34.13
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300020306919	1	43	-1.0	-41.92	356.76	7.85	-34.07
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020306920	0	52	-1.0	-39.09	401.86	9.47	-29.62
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020306920	1	52	-1.0	-39.09	401.92	9.48	-29.61
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020306921	0	49	-1.0	-40.64	381.95	8.70	-31.94
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCC2)C1	REAL300020306921	1	49	-1.0	-40.67	382.00	8.73	-31.94
CC1=NC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=NO1	REAL300020306922	0	46	-1.0	-43.13	388.34	4.75	-38.38
CC1=NC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=NO1	REAL300020306922	1	46	-1.0	-43.08	388.40	4.77	-38.31
CC1=NC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=NO1	REAL300020306923	0	43	-1.0	-44.34	366.14	4.18	-40.16
CC1=NC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=NO1	REAL300020306923	1	43	-1.0	-44.27	366.20	4.21	-40.06
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[C@H]1C	REAL300020306924	0	46	-1.0	-39.72	371.41	5.81	-33.91
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[C@H]1C	REAL300020306924	1	46	-1.0	-39.73	371.46	5.83	-33.90
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[C@H]1C	REAL300020306925	0	43	-1.0	-41.21	353.57	5.16	-36.05
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[C@H]1C	REAL300020306925	1	43	-1.0	-41.18	353.63	5.18	-36.00
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC[C@H]1C	REAL300020306926	0	50	-1.0	-41.90	398.48	8.11	-33.79
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC[C@H]1C	REAL300020306926	1	50	-1.0	-41.84	398.52	8.10	-33.74
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(=O)N1	REAL300020306927	0	43	-1.0	-41.31	349.49	3.82	-37.49
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(=O)N1	REAL300020306927	1	43	-1.0	-41.30	349.55	3.84	-37.46
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(=O)N1	REAL300020306928	0	40	-1.0	-41.22	338.57	3.10	-38.12
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(=O)N1	REAL300020306928	1	40	-1.0	-41.22	338.51	3.08	-38.14
CC1(C)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC(=O)N1	REAL300020306929	0	47	-1.0	-43.27	384.00	6.02	-37.25
CC1(C)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC(=O)N1	REAL300020306929	1	47	-1.0	-43.18	384.04	6.01	-37.17
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1COC	REAL300020306930	0	50	-1.0	-41.57	399.77	4.69	-36.88
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1COC	REAL300020306930	1	50	-1.0	-41.58	399.83	4.71	-36.87
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1COC	REAL300020306931	0	47	-1.0	-43.83	372.86	4.01	-39.82
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1COC	REAL300020306931	1	47	-1.0	-43.84	372.92	4.03	-39.81
COC(=O)CCOC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306932	0	52	-1.0	-42.17	432.57	7.11	-35.06
COC(=O)CCOC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306932	1	52	-1.0	-42.18	432.63	7.13	-35.05
COC(=O)CCOC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306933	0	49	-1.0	-44.50	407.93	6.44	-38.06
COC(=O)CCOC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306933	1	49	-1.0	-44.51	407.99	6.47	-38.04
O=C1NCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(F)F	REAL300020306934	0	43	-1.0	-39.95	326.48	2.41	-37.54
O=C1NCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(F)F	REAL300020306934	1	43	-1.0	-39.95	326.54	2.42	-37.53
O=C1NCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(F)F	REAL300020306935	0	40	-1.0	-43.05	304.51	1.98	-41.07
O=C1NCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(F)F	REAL300020306935	1	40	-1.0	-43.03	304.57	2.00	-41.03
CC(C)CCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306936	0	47	-1.0	-39.22	368.43	7.77	-31.45
CC(C)CCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306936	1	47	-1.0	-39.22	368.49	7.79	-31.43
CC(C)CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306937	0	44	-1.0	-39.46	345.82	7.30	-32.16
CC(C)CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306937	1	44	-1.0	-39.49	345.87	7.31	-32.18
CC(C)CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306938	0	51	-1.0	-40.09	409.35	9.83	-30.26
CC(C)CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306938	1	51	-1.0	-40.06	409.39	9.82	-30.24
CN(CCN1C=CN=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306939	0	42	-1.0	-45.49	348.24	7.53	-37.96
CN(CCN1C=CN=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306939	1	42	-1.0	-45.53	348.30	7.54	-37.99
CN(CCN1C=CN=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306940	0	39	-1.0	-45.45	339.31	6.80	-38.65
CN(CCN1C=CN=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306940	1	39	-1.0	-45.51	339.36	6.82	-38.69
CN(CCN1C=CN=C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306941	0	46	-1.0	-48.08	377.50	9.64	-38.44
CN(CCN1C=CN=C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306941	1	46	-1.0	-48.10	377.53	9.63	-38.47
CN(CCCN1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306942	0	51	-1.0	-40.13	408.82	4.26	-35.87
CN(CCCN1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306942	1	51	-1.0	-40.13	408.88	4.28	-35.85
CN(CCC[NH+]1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306942	1	52	0.0	-67.83	398.78	6.49	-61.34
CN(CCCN1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306943	0	48	-1.0	-41.90	387.26	3.49	-38.41
CN(CCCN1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306943	1	48	-1.0	-41.93	387.32	3.51	-38.42
CN(CCC[NH+]1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306943	1	49	0.0	-68.67	389.82	5.78	-62.89
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020306944	0	50	-1.0	-42.16	411.72	7.29	-34.87
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020306944	1	50	-1.0	-42.15	411.78	7.31	-34.84
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020306945	0	47	-1.0	-42.58	390.01	6.49	-36.09
CN(C)C1=NC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020306945	1	47	-1.0	-42.58	390.06	6.51	-36.07
CN(CC1CCSCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306946	0	46	-1.0	-39.76	377.78	8.27	-31.49
CN(CC1CCSCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306946	1	46	-1.0	-39.80	377.84	8.29	-31.51
CN(CC1CCSCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306947	0	43	-1.0	-41.89	359.99	7.58	-34.31
CN(CC1CCSCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306947	1	43	-1.0	-41.87	360.04	7.61	-34.26
CN(CC1=CN=CN1C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306948	0	42	-1.0	-41.62	358.99	7.02	-34.60
CN(CC1=CN=CN1C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306948	1	42	-1.0	-41.65	359.05	7.04	-34.61
CN(CC1=CN=CN1C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306949	0	39	-1.0	-41.96	337.76	6.25	-35.71
CN(CC1=CN=CN1C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306949	1	39	-1.0	-41.98	337.82	6.28	-35.70
CN(CC1=CN=CN1C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306950	0	46	-1.0	-43.78	375.66	9.07	-34.71
CN(CC1=CN=CN1C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306950	1	46	-1.0	-43.73	375.69	9.06	-34.67
COC(=O)[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]1C[N@H+](C)CC2	REAL300020306951	0	52	0.0	-75.45	390.10	6.89	-68.56
COC(=O)[C@]12CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]1C[N@@H+](C)CC2	REAL300020306951	1	52	0.0	-74.83	410.19	7.27	-67.56
COC(=O)[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]1C[N@H+](C)CC2	REAL300020306951	1	52	0.0	-75.44	390.16	6.91	-68.53
COC(=O)[C@]12CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]1C[N@@H+](C)CC2	REAL300020306951	1	52	0.0	-74.86	410.26	7.30	-67.56
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C)(C)CO1	REAL300020306952	0	49	-1.0	-38.65	385.71	6.21	-32.44
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C)(C)CO1	REAL300020306952	1	49	-1.0	-38.67	385.76	6.23	-32.44
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C)(C)CO1	REAL300020306953	0	46	-1.0	-39.40	348.51	5.14	-34.26
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C)(C)CO1	REAL300020306953	1	46	-1.0	-39.34	348.56	5.16	-34.18
OCC1CC2(CO1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020306954	0	51	-1.0	-42.14	400.47	3.37	-38.77
OCC1CC2(CO1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020306954	1	51	-1.0	-42.12	400.52	3.39	-38.73
OCC1CC2(CO1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020306955	0	48	-1.0	-43.84	384.06	2.69	-41.15
OCC1CC2(CO1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020306955	1	48	-1.0	-43.88	384.12	2.71	-41.17
COCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306956	0	49	-1.0	-41.00	375.74	5.97	-35.03
COCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306956	1	49	-1.0	-41.03	375.80	5.98	-35.05
COCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306957	0	46	-1.0	-43.69	370.26	5.92	-37.77
COCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306957	1	46	-1.0	-43.67	370.32	5.94	-37.73
CN1C=NC=C1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020306958	0	49	-1.0	-43.23	397.93	8.75	-34.48
CN1C=NC=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306958	1	49	-1.0	-43.22	397.99	8.76	-34.46
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020306958	1	50	0.0	-64.67	401.42	9.28	-55.39
CN1C=NC=C1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020306959	0	46	-1.0	-44.06	375.97	8.15	-35.91
CN1C=NC=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306959	1	46	-1.0	-44.09	376.03	8.16	-35.93
CN1C=[NH+]C=C1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020306959	1	47	0.0	-64.37	379.47	8.68	-55.69
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020306960	0	43	-1.0	-42.18	378.49	8.79	-33.39
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020306960	1	43	-1.0	-42.19	378.54	8.81	-33.38
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020306961	0	40	-1.0	-46.22	350.26	7.18	-39.04
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020306961	1	40	-1.0	-46.18	350.31	7.20	-38.98
C#CCC1CCCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306962	0	44	-1.0	-40.75	346.14	6.25	-34.50
C#CCC1CCCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306962	1	44	-1.0	-40.71	346.19	6.26	-34.45
C#CCC1CCCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306963	0	41	-1.0	-42.13	313.21	5.26	-36.87
C#CCC1CCCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306963	1	41	-1.0	-42.13	313.14	5.23	-36.90
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020306964	0	48	-1.0	-42.22	361.03	7.52	-34.70
C#CCC1CCCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020306964	1	48	-1.0	-42.17	361.06	7.51	-34.66
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020306965	0	43	-1.0	-39.90	379.04	8.80	-31.10
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020306965	1	43	-1.0	-39.91	379.10	8.81	-31.10
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020306966	0	40	-1.0	-39.90	357.25	8.20	-31.70
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020306966	1	40	-1.0	-39.89	357.31	8.21	-31.68
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC[NH+](C(C)(C)C)CC1	REAL300020306967	0	57	0.0	-61.00	423.25	8.04	-52.96
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC[NH+](C(C)(C)C)CC1	REAL300020306967	1	57	0.0	-61.03	423.30	8.05	-52.98
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC[NH+](C(C)(C)C)CC1	REAL300020306968	0	54	0.0	-61.91	401.73	7.25	-54.66
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC[NH+](C(C)(C)C)CC1	REAL300020306968	1	54	0.0	-61.98	401.79	7.28	-54.70
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020306969	0	43	-1.0	-39.60	377.48	8.75	-30.85
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020306969	1	43	-1.0	-39.62	377.54	8.77	-30.85
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020306970	0	40	-1.0	-39.58	355.69	8.15	-31.43
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020306970	1	40	-1.0	-39.59	355.74	8.17	-31.42
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306971	0	47	-1.0	-41.29	397.60	8.25	-33.04
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306971	1	47	-1.0	-41.30	397.66	8.27	-33.03
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306972	0	44	-1.0	-44.72	369.91	7.60	-37.12
CN(CC1=CC=NC2=CC=CC=C12)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306972	1	44	-1.0	-44.73	369.86	7.57	-37.16
CC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1F	REAL300020306973	0	46	-1.0	-42.27	386.33	9.08	-33.19
CC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1F	REAL300020306973	1	46	-1.0	-42.30	386.38	9.09	-33.21
CC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1F	REAL300020306974	0	43	-1.0	-46.07	354.38	7.33	-38.74
CC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1F	REAL300020306974	1	43	-1.0	-46.08	354.44	7.35	-38.73
CC1=CC(F)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020306975	0	46	-1.0	-41.05	383.40	9.13	-31.92
CC1=CC(F)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020306975	1	46	-1.0	-41.06	383.46	9.14	-31.92
CC1=CC(F)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020306976	0	43	-1.0	-45.85	355.50	7.34	-38.51
CC1=CC(F)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020306976	1	43	-1.0	-45.84	355.56	7.37	-38.47
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020306977	0	50	-1.0	-39.57	373.73	7.06	-32.51
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020306977	1	50	-1.0	-39.58	373.79	7.07	-32.51
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020306978	0	47	-1.0	-41.78	358.47	6.45	-35.33
CN(C[C@]12CCC[C@H]1OCC2)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020306978	1	47	-1.0	-41.80	358.53	6.47	-35.33
CC1=CC=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020306979	0	52	-1.0	-39.18	417.41	10.28	-28.90
CC1=CC=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020306979	1	52	-1.0	-39.19	417.47	10.30	-28.89
CC1=CC=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020306980	0	49	-1.0	-40.40	395.47	9.68	-30.72
CC1=CC=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020306980	1	49	-1.0	-40.42	395.52	9.70	-30.72
CC1=CC(Cl)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020306981	0	46	-1.0	-40.37	392.17	9.50	-30.87
CC1=CC(Cl)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020306981	1	46	-1.0	-40.37	392.23	9.51	-30.86
CC1=CC(Cl)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020306982	0	43	-1.0	-44.67	364.27	7.73	-36.94
CC1=CC(Cl)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020306982	1	43	-1.0	-44.71	364.33	7.76	-36.95
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020306983	0	44	-1.0	-39.16	334.83	7.30	-31.86
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020306983	1	44	-1.0	-39.19	334.88	7.32	-31.87
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)O2	REAL300020306984	0	41	-1.0	-39.76	310.42	6.84	-32.92
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)O2	REAL300020306984	1	41	-1.0	-39.96	314.19	6.81	-33.15
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020306985	0	48	-1.0	-40.79	375.50	9.53	-31.26
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC(C1)O2	REAL300020306985	1	48	-1.0	-40.69	375.56	9.51	-31.18
O=S1(=O)CC2(C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020306986	0	46	-1.0	-47.10	378.41	4.14	-42.96
O=S1(=O)CC2(C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020306986	1	46	-1.0	-47.20	378.47	4.16	-43.04
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020306987	0	43	-1.0	-49.30	356.07	3.51	-45.79
O=S1(=O)CC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020306987	1	43	-1.0	-49.29	356.12	3.54	-45.75
CCOC(=O)C1(F)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC12COC2	REAL300020306988	0	47	-1.0	-42.46	388.28	5.08	-37.38
CCOC(=O)C1(F)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC12COC2	REAL300020306988	1	47	-1.0	-42.48	388.34	5.10	-37.38
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020306989	0	45	-1.0	-40.28	366.93	4.65	-35.63
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020306989	1	45	-1.0	-40.30	366.98	4.67	-35.63
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020306990	0	42	-1.0	-41.63	341.27	3.94	-37.69
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020306990	1	42	-1.0	-41.64	341.32	3.96	-37.68
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1COC	REAL300020306991	0	50	-1.0	-41.86	401.40	4.78	-37.08
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1COC	REAL300020306991	1	50	-1.0	-41.87	401.46	4.80	-37.07
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1COC	REAL300020306992	0	47	-1.0	-43.04	374.44	4.10	-38.94
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1COC	REAL300020306992	1	47	-1.0	-43.07	374.49	4.12	-38.95
CCC1(CC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020306993	0	48	-1.0	-39.83	363.96	8.07	-31.76
CCC1(CC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020306993	1	48	-1.0	-39.83	364.02	8.09	-31.74
CCC1(CC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306994	0	45	-1.0	-40.45	337.04	7.40	-33.05
CCC1(CC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306994	1	45	-1.0	-40.48	337.10	7.43	-33.05
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020306995	0	52	-1.0	-41.17	391.58	9.40	-31.77
CCC1(CC)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020306995	1	52	-1.0	-41.20	391.61	9.40	-31.80
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020306996	0	47	-1.0	-40.01	384.52	6.36	-33.65
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020306996	1	47	-1.0	-40.02	384.58	6.37	-33.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020306997	0	44	-1.0	-42.25	363.01	5.57	-36.68
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020306997	1	44	-1.0	-42.24	363.07	5.60	-36.64
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC12CC2	REAL300020306998	0	44	-1.0	-40.43	354.50	5.65	-34.78
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC12CC2	REAL300020306998	1	44	-1.0	-40.46	354.56	5.67	-34.79
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC12CC2	REAL300020306999	0	41	-1.0	-42.63	337.96	5.03	-37.60
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC12CC2	REAL300020306999	1	41	-1.0	-42.64	338.02	5.05	-37.59
COC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC12CC2	REAL300020307000	0	48	-1.0	-41.05	379.66	7.24	-33.81
COC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC12CC2	REAL300020307000	1	48	-1.0	-40.94	379.70	7.23	-33.71
CN1CCCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)C1=O	REAL300020307001	0	50	-1.0	-45.46	385.86	6.07	-39.39
CN1CCCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)C1=O	REAL300020307001	1	50	-1.0	-45.45	385.92	6.09	-39.36
CN1CCCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C1=O	REAL300020307002	0	47	-1.0	-50.38	369.33	5.45	-44.93
CN1CCCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C1=O	REAL300020307002	1	47	-1.0	-50.41	369.38	5.47	-44.94
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307003	0	49	-1.0	-47.77	389.32	6.41	-41.36
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307003	1	49	-1.0	-47.77	389.37	6.43	-41.34
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307004	0	46	-1.0	-51.78	367.24	5.88	-45.90
CN1N=CC=C1C[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307004	1	46	-1.0	-51.78	367.29	5.89	-45.89
O=C1OCCC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307005	0	43	-1.0	-47.11	349.43	6.16	-40.95
O=C1OCCC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307005	1	43	-1.0	-47.12	349.49	6.17	-40.95
O=C1OCCC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307006	0	40	-1.0	-50.12	325.94	5.65	-44.47
O=C1OCCC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307006	1	40	-1.0	-50.09	326.00	5.67	-44.42
O=C1OCCC12CCN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CCF)C2	REAL300020307007	0	47	-1.0	-49.71	376.88	8.12	-41.59
O=C1OCCC12CCN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CCF)C2	REAL300020307007	1	47	-1.0	-49.72	376.90	8.10	-41.62
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307008	0	49	-1.0	-46.02	383.48	6.38	-39.64
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307008	1	49	-1.0	-46.03	383.54	6.40	-39.63
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307009	0	46	-1.0	-46.56	362.06	5.80	-40.76
CN1N=CC=C1C[C@@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307009	1	46	-1.0	-46.51	362.12	5.82	-40.69
CC1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCN21	REAL300020307010	0	43	-1.0	-42.75	362.05	6.96	-35.79
CC1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCN21	REAL300020307010	1	43	-1.0	-42.77	362.11	6.97	-35.80
CC1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN21	REAL300020307011	0	40	-1.0	-48.30	333.30	5.98	-42.32
CC1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN21	REAL300020307011	1	40	-1.0	-48.30	333.36	6.01	-42.29
CC1=NC=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CCN21	REAL300020307012	0	47	-1.0	-44.46	389.49	8.79	-35.67
CC1=NC=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CCN21	REAL300020307012	1	47	-1.0	-44.68	380.33	8.83	-35.85
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307013	0	50	-1.0	-41.44	399.36	6.31	-35.13
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307013	1	50	-1.0	-41.43	399.41	6.33	-35.10
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307014	0	47	-1.0	-43.63	382.67	5.67	-37.96
CC(C)(C)OC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307014	1	47	-1.0	-43.64	382.72	5.69	-37.95
COC1=CC=C2C(=C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2C	REAL300020307015	0	50	-1.0	-40.65	397.76	7.31	-33.34
COC1=CC=C2C(=C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2C	REAL300020307015	1	50	-1.0	-40.58	397.82	7.32	-33.26
COC1=CC=C2C(=C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2C	REAL300020307016	0	47	-1.0	-44.72	371.50	6.45	-38.27
COC1=CC=C2C(=C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2C	REAL300020307016	1	47	-1.0	-44.70	371.55	6.46	-38.24
CCC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307017	0	49	-1.0	-41.62	392.01	8.91	-32.71
CCC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307017	1	49	-1.0	-41.60	392.07	8.92	-32.68
CCC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307018	0	46	-1.0	-43.96	371.47	8.10	-35.86
CCC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307018	1	46	-1.0	-43.94	371.41	8.07	-35.87
CC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCC1(C)C	REAL300020307019	0	45	-1.0	-40.38	344.60	7.03	-33.35
CC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCC1(C)C	REAL300020307019	1	45	-1.0	-40.36	344.66	7.04	-33.32
CC1N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC1(C)C	REAL300020307020	0	42	-1.0	-42.75	325.41	6.66	-36.09
CC1N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC1(C)C	REAL300020307020	1	42	-1.0	-42.81	325.47	6.68	-36.13
CC1N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCC1(C)C	REAL300020307021	0	49	-1.0	-41.58	380.59	9.33	-32.25
CC1N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCC1(C)C	REAL300020307021	1	49	-1.0	-41.55	380.62	9.32	-32.23
O=C1NCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(F)F	REAL300020307022	0	40	-1.0	-43.94	323.09	1.77	-42.17
O=C1NCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(F)F	REAL300020307022	1	40	-1.0	-43.90	323.03	1.76	-42.14
O=C1NCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(F)F	REAL300020307023	0	37	-1.0	-43.45	301.60	1.00	-42.45
O=C1NCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(F)F	REAL300020307023	1	37	-1.0	-43.43	301.54	0.96	-42.47
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020307024	0	37	-1.0	-38.02	331.90	6.92	-31.10
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020307024	1	37	-1.0	-38.04	331.96	6.94	-31.10
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020307025	0	34	-1.0	-38.66	309.77	6.06	-32.60
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020307025	1	34	-1.0	-38.68	309.83	6.07	-32.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020307026	0	53	-1.0	-39.47	415.70	10.52	-28.95
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020307026	1	53	-1.0	-39.44	415.76	10.54	-28.90
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020307027	0	50	-1.0	-41.55	401.72	10.39	-31.16
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020307027	1	50	-1.0	-41.59	401.78	10.42	-31.17
C[NH+]1CC23CN(C4=NN=C(CCC5=N[N-]N=N5)N4CCF)CC2(C1)CCCC3	REAL300020307028	0	56	0.0	-66.90	410.75	9.33	-57.57
C[NH+]1CC23CN(C4=NN=C(CCC5=NN=N[N-]5)N4CCF)CC2(C1)CCCC3	REAL300020307028	1	56	0.0	-66.93	410.80	9.34	-57.59
C[NH+]1CC23CN(C4=NN=C(CC5=N[N-]N=N5)N4CCF)CC2(C1)CCCC3	REAL300020307029	0	53	0.0	-67.85	383.69	8.62	-59.23
C[NH+]1CC23CN(C4=NN=C(CC5=NN=N[N-]5)N4CCF)CC2(C1)CCCC3	REAL300020307029	1	53	0.0	-67.83	383.75	8.63	-59.20
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC12CCC2	REAL300020307030	0	49	-1.0	-44.18	388.93	7.68	-36.50
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC12CCC2	REAL300020307030	1	49	-1.0	-44.20	388.99	7.70	-36.50
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC12CCC2	REAL300020307031	0	46	-1.0	-46.52	379.74	7.08	-39.44
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC12CCC2	REAL300020307031	1	46	-1.0	-46.55	379.80	7.10	-39.45
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020307032	0	48	-1.0	-41.86	393.50	8.10	-33.76
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020307032	1	48	-1.0	-41.85	393.56	8.12	-33.73
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020307033	0	45	-1.0	-46.05	371.48	6.95	-39.10
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020307033	1	45	-1.0	-46.09	371.53	6.96	-39.13
CC1=NN=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)S1	REAL300020307034	0	47	-1.0	-43.07	400.86	6.52	-36.55
CC1=NN=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)S1	REAL300020307034	1	47	-1.0	-43.11	400.91	6.53	-36.58
CC1=NN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)S1	REAL300020307035	0	44	-1.0	-46.39	379.91	5.97	-40.42
CC1=NN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)S1	REAL300020307035	1	44	-1.0	-46.42	379.97	5.99	-40.43
COCCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307036	0	47	-1.0	-40.91	385.48	4.38	-36.53
COCCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307036	1	47	-1.0	-40.87	385.54	4.39	-36.48
COCCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307037	0	44	-1.0	-42.78	367.74	3.73	-39.05
COCCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307037	1	44	-1.0	-42.80	367.80	3.76	-39.04
CN(C)C1=NC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=N1	REAL300020307038	0	49	-1.0	-42.02	407.04	8.94	-33.08
CN(C)C1=NC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=N1	REAL300020307038	1	49	-1.0	-42.03	407.09	8.95	-33.08
CN(C)C1=NC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=N1	REAL300020307039	0	46	-1.0	-44.15	378.69	8.26	-35.89
CN(C)C1=NC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=N1	REAL300020307039	1	46	-1.0	-44.19	378.75	8.29	-35.90
CC1=CC(C)=NN1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307040	0	52	-1.0	-41.74	425.04	8.41	-33.33
CC1=CC(C)=NN1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307040	1	52	-1.0	-41.76	425.10	8.42	-33.34
CC1=CC(C)=NN1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307041	0	49	-1.0	-42.51	400.21	7.50	-35.01
CC1=CC(C)=NN1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307041	1	49	-1.0	-42.48	400.26	7.52	-34.96
CCN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307042	0	45	-1.0	-39.91	377.37	8.19	-31.72
CCN(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307042	1	45	-1.0	-39.88	377.43	8.20	-31.68
OC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307043	0	44	-1.0	-42.53	360.14	4.62	-37.91
OC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307043	1	44	-1.0	-42.49	360.19	4.64	-37.85
OC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307044	0	41	-1.0	-44.33	339.66	3.81	-40.52
OC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307044	1	41	-1.0	-44.33	339.61	3.79	-40.54
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020307045	0	47	-1.0	-39.86	399.48	9.33	-30.53
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020307045	1	47	-1.0	-39.92	399.54	9.34	-30.58
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020307046	0	44	-1.0	-41.32	377.77	8.51	-32.81
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020307046	1	44	-1.0	-41.31	377.82	8.53	-32.78
CN(CC1=CC=CC=C1N1C=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307047	0	50	-1.0	-42.49	405.28	10.75	-31.74
CN(CC1=CC=CC=C1N1C=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307047	1	50	-1.0	-42.50	405.34	10.77	-31.73
CN(CC1=CC=CC=C1N1C=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307048	0	47	-1.0	-47.97	392.15	10.17	-37.80
CN(CC1=CC=CC=C1N1C=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307048	1	47	-1.0	-47.95	392.10	10.15	-37.80
CC(C)CC1(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307049	0	51	-1.0	-39.22	386.67	9.84	-29.38
CC(C)CC1(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307049	1	51	-1.0	-39.22	386.73	9.86	-29.36
CC(C)CC1(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307050	0	48	-1.0	-39.85	370.85	9.30	-30.55
CC(C)CC1(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307050	1	48	-1.0	-39.81	370.90	9.32	-30.49
CC(C)CC1(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020307051	0	55	-1.0	-40.77	424.41	11.47	-29.30
CC(C)CC1(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020307051	1	55	-1.0	-40.78	424.43	11.47	-29.31
O=C1CCOC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C1	REAL300020307052	0	49	-1.0	-42.76	388.98	6.06	-36.70
O=C1CCOC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C1	REAL300020307052	1	49	-1.0	-42.79	389.03	6.07	-36.72
O=C1CCOC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C1	REAL300020307053	0	46	-1.0	-43.99	371.18	5.41	-38.58
O=C1CCOC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C1	REAL300020307053	1	46	-1.0	-44.02	371.23	5.43	-38.59
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307054	0	45	-1.0	-41.58	371.37	6.58	-35.00
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307054	1	45	-1.0	-41.56	371.43	6.59	-34.97
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307055	0	42	-1.0	-42.70	358.70	5.84	-36.86
CN(CC1=CC=CC2=C1OCO2)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307055	1	42	-1.0	-42.75	358.76	5.87	-36.88
C=CCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307056	0	42	-1.0	-39.64	347.44	7.20	-32.44
C=CCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307056	1	42	-1.0	-39.63	347.50	7.22	-32.41
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307057	0	46	-1.0	-40.29	383.09	9.10	-31.19
C=CCCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307057	1	46	-1.0	-40.28	383.13	9.09	-31.19
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020307058	0	47	-1.0	-39.59	373.92	6.37	-33.22
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020307058	1	47	-1.0	-39.61	373.98	6.39	-33.22
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020307059	0	44	-1.0	-41.64	352.13	5.73	-35.91
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020307059	1	44	-1.0	-41.59	352.18	5.74	-35.85
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020307060	0	51	-1.0	-40.86	401.06	8.47	-32.39
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020307060	1	51	-1.0	-40.83	401.09	8.46	-32.37
C=CCN(CC(=C)Br)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307061	0	40	-1.0	-38.74	362.85	7.57	-31.17
C=CCN(CC(=C)Br)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307061	1	40	-1.0	-38.71	362.91	7.58	-31.13
C=CCN(CC(=C)Br)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307062	0	37	-1.0	-40.33	335.98	6.37	-33.96
C=CCN(CC(=C)Br)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307062	1	37	-1.0	-40.31	336.04	6.40	-33.91
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307063	0	45	-1.0	-40.54	377.88	9.06	-31.48
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307063	1	45	-1.0	-40.53	377.94	9.07	-31.46
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307064	0	42	-1.0	-43.14	356.88	7.65	-35.49
C[C@@H](C1=CC=CC=C1Cl)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307064	1	42	-1.0	-43.16	356.93	7.67	-35.49
O=C1O[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@@H]2O1	REAL300020307065	0	38	-1.0	-48.04	323.12	5.15	-42.89
O=C1O[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@@H]2O1	REAL300020307065	1	38	-1.0	-48.09	323.18	5.17	-42.92
O=C1O[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@@H]2O1	REAL300020307066	0	35	-1.0	-48.66	301.83	4.38	-44.28
O=C1O[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@@H]2O1	REAL300020307066	1	35	-1.0	-48.63	301.88	4.40	-44.23
O=C1O[C@@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)C[C@@H]2O1	REAL300020307067	0	42	-1.0	-50.36	350.83	7.10	-43.26
O=C1O[C@@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)C[C@@H]2O1	REAL300020307067	1	42	-1.0	-50.31	350.86	7.09	-43.22
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020307068	0	44	-1.0	-39.60	359.09	5.46	-34.14
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020307068	1	44	-1.0	-39.60	359.14	5.47	-34.13
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020307069	0	41	-1.0	-41.37	337.88	4.50	-36.87
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020307069	1	41	-1.0	-41.43	337.93	4.53	-36.90
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020307070	0	48	-1.0	-41.49	385.82	7.45	-34.04
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020307070	1	48	-1.0	-41.47	385.86	7.44	-34.03
CN1C=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2CC2)N=N1	REAL300020307071	0	45	-1.0	-44.19	364.71	6.33	-37.86
CN1C=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2CC2)N=N1	REAL300020307071	1	45	-1.0	-44.20	364.76	6.35	-37.85
CN1C=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2CC2)N=N1	REAL300020307072	0	42	-1.0	-45.07	332.98	5.78	-39.29
CN1C=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2CC2)N=N1	REAL300020307072	1	42	-1.0	-45.05	333.05	5.81	-39.24
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1F	REAL300020307073	0	40	-1.0	-39.52	333.86	4.58	-34.94
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1F	REAL300020307073	1	40	-1.0	-39.51	333.92	4.59	-34.92
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1F	REAL300020307074	0	37	-1.0	-41.64	312.33	3.79	-37.85
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1F	REAL300020307074	1	37	-1.0	-41.67	312.39	3.81	-37.86
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C[C@H]1F	REAL300020307075	0	44	-1.0	-41.21	361.52	6.54	-34.67
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C[C@H]1F	REAL300020307075	1	44	-1.0	-41.14	361.55	6.53	-34.61
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307076	0	47	-1.0	-44.23	377.65	4.91	-39.32
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307076	1	47	-1.0	-44.21	377.71	4.92	-39.29
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307077	0	44	-1.0	-43.62	353.05	4.31	-39.31
CC1C2=CC=C(O)C=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307077	1	44	-1.0	-43.63	352.99	4.29	-39.34
O=C1NC2(CCC2)C2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)O1	REAL300020307078	0	49	-1.0	-50.96	387.90	4.13	-46.83
O=C1NC2(CCC2)C2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)O1	REAL300020307078	1	49	-1.0	-51.00	387.96	4.15	-46.85
N#CC1=CC=C(CC2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020307079	0	50	-1.0	-43.70	420.02	10.09	-33.61
N#CC1=CC=C(CC2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020307079	1	50	-1.0	-43.68	420.08	10.11	-33.57
CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307080	0	51	-1.0	-50.36	407.52	4.73	-45.63
CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307080	1	51	-1.0	-50.32	407.57	4.75	-45.57
C=CCC1(C(=O)OCC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307081	0	52	-1.0	-47.28	417.85	9.40	-37.88
C=CCC1(C(=O)OCC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307081	1	52	-1.0	-47.28	417.91	9.43	-37.85
CC(C)(C)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307082	0	54	-1.0	-39.52	414.52	9.47	-30.05
CC(C)(C)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307082	1	54	-1.0	-39.53	414.58	9.48	-30.05
CC(C)(C)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307083	0	51	-1.0	-42.58	390.09	8.45	-34.13
CC(C)(C)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307083	1	51	-1.0	-42.59	390.15	8.48	-34.11
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307084	0	49	-1.0	-39.29	377.99	8.14	-31.15
CCC1CC2(CCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307084	1	49	-1.0	-39.28	378.05	8.15	-31.13
CCC1CC2(CCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307085	0	46	-1.0	-41.48	356.50	7.36	-34.12
CCC1CC2(CCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307085	1	46	-1.0	-41.49	356.55	7.38	-34.11
CCC1CC2(CCC2)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307086	0	53	-1.0	-40.69	406.37	10.13	-30.56
CCC1CC2(CCC2)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307086	1	53	-1.0	-40.64	406.42	10.12	-30.52
COC(=O)C1=CC2=C(CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)S1	REAL300020307087	0	43	-1.0	-46.26	376.46	6.82	-39.44
COC(=O)C1=CC2=C(CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)S1	REAL300020307087	1	43	-1.0	-46.29	376.52	6.85	-39.44
O=C(N1CC2CC1CN2C1=NN=C(CC2=N[N-]N=N2)N1CCF)C(F)(F)F	REAL300020307088	0	41	-1.0	-45.89	348.38	4.71	-41.18
O=C(N1CC2CC1CN2C1=NN=C(CC2=NN=N[N-]2)N1CCF)C(F)(F)F	REAL300020307088	1	41	-1.0	-45.88	348.44	4.72	-41.16
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020307089	0	42	-1.0	-42.91	350.44	6.95	-35.96
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020307089	1	42	-1.0	-42.90	350.50	6.97	-35.93
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020307090	0	39	-1.0	-42.38	332.75	6.29	-36.09
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020307090	1	39	-1.0	-42.33	332.81	6.32	-36.01
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(F)F)C1	REAL300020307091	0	46	-1.0	-41.58	383.46	9.10	-32.48
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(F)F)C1	REAL300020307091	1	46	-1.0	-41.49	383.51	9.09	-32.40
CN(C)C(=O)CCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020307092	0	49	-1.0	-45.76	414.66	8.50	-37.26
CN(C)C(=O)CCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020307092	1	49	-1.0	-45.76	414.61	8.49	-37.27
CN(C)C(=O)CCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020307093	0	46	-1.0	-46.71	393.14	7.73	-38.98
CN(C)C(=O)CCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020307093	1	46	-1.0	-46.72	393.08	7.70	-39.02
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020307094	0	40	-1.0	-49.77	353.68	6.29	-43.48
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020307094	1	40	-1.0	-49.80	353.74	6.31	-43.49
CC(C)C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307095	0	52	-1.0	-41.44	409.38	9.39	-32.05
CC(C)C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307095	1	52	-1.0	-41.43	409.43	9.40	-32.03
CC(C)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307096	0	49	-1.0	-43.82	388.78	8.55	-35.27
CC(C)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307096	1	49	-1.0	-43.86	388.83	8.58	-35.28
CC(C)(C)C1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307097	0	55	-1.0	-41.50	425.33	9.80	-31.70
CC(C)(C)C1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307097	1	55	-1.0	-41.47	425.39	9.81	-31.66
CC(C)(C)C1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307098	0	52	-1.0	-43.82	404.81	8.98	-34.84
CC(C)(C)C1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307098	1	52	-1.0	-43.86	404.87	9.00	-34.86
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020307099	0	50	-1.0	-39.02	410.59	9.75	-29.27
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020307099	1	50	-1.0	-39.03	410.64	9.76	-29.27
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020307100	0	47	-1.0	-39.62	392.12	9.07	-30.55
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020307100	1	47	-1.0	-39.67	392.17	9.10	-30.57
O=S1(=O)CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)C1	REAL300020307101	0	46	-1.0	-49.51	376.54	3.83	-45.68
O=S1(=O)CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)C1	REAL300020307101	1	46	-1.0	-49.55	376.59	3.84	-45.71
O=S1(=O)CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C1	REAL300020307102	0	43	-1.0	-50.30	350.86	3.03	-47.27
O=S1(=O)CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C1	REAL300020307102	1	43	-1.0	-50.35	350.92	3.06	-47.29
CN(CCCC1=CC=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307103	0	47	-1.0	-41.56	396.08	7.79	-33.77
CN(CCCC1=CC=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307103	1	47	-1.0	-41.56	396.14	7.80	-33.76
CN(CCCC1=CC=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307104	0	44	-1.0	-42.16	360.86	7.26	-34.90
CN(CCCC1=CC=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307104	1	44	-1.0	-42.19	360.91	7.28	-34.91
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020307105	0	50	-1.0	-42.23	418.17	8.58	-33.65
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020307105	1	50	-1.0	-42.25	418.23	8.59	-33.66
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020307106	0	47	-1.0	-43.60	392.26	7.92	-35.68
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020307106	1	47	-1.0	-43.61	392.32	7.94	-35.67
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1C(F)(F)F	REAL300020307107	0	42	-1.0	-40.46	348.40	6.73	-33.73
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1C(F)(F)F	REAL300020307107	1	42	-1.0	-40.47	348.46	6.74	-33.73
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1C(F)(F)F	REAL300020307108	0	39	-1.0	-41.13	325.91	6.14	-34.99
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1C(F)(F)F	REAL300020307108	1	39	-1.0	-41.16	325.97	6.17	-34.99
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307109	0	52	-1.0	-40.86	417.34	8.71	-32.15
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307109	1	52	-1.0	-40.89	417.40	8.74	-32.15
NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307110	0	43	-1.0	-47.82	354.78	2.79	-45.03
NC(=O)[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307110	1	43	-1.0	-47.85	354.84	2.80	-45.05
NC(=O)[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307111	0	40	-1.0	-52.48	322.28	1.67	-50.81
NC(=O)[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307111	1	40	-1.0	-52.51	322.33	1.69	-50.82
NC(=O)[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307112	0	47	-1.0	-50.31	382.87	5.09	-45.22
NC(=O)[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307112	1	47	-1.0	-50.32	382.91	5.09	-45.23
CN1C(=O)C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC[C@H]21	REAL300020307113	0	47	-1.0	-47.61	381.24	5.68	-41.93
CN1C(=O)C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC[C@H]21	REAL300020307113	1	47	-1.0	-47.62	381.30	5.69	-41.93
CN1C(=O)C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC[C@H]21	REAL300020307114	0	44	-1.0	-49.42	356.54	5.02	-44.40
CN1C(=O)C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC[C@H]21	REAL300020307114	1	44	-1.0	-49.44	356.60	5.05	-44.39
CCC1=CC=C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020307115	0	49	-1.0	-41.65	392.66	8.86	-32.79
CCC1=CC=C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020307115	1	49	-1.0	-41.69	392.71	8.87	-32.82
CCC1=CC=C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020307116	0	46	-1.0	-40.97	381.94	9.06	-31.91
CCC1=CC=C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020307116	1	46	-1.0	-40.96	381.88	9.04	-31.92
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020307117	0	50	-1.0	-43.49	400.80	8.44	-35.05
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020307117	1	50	-1.0	-43.49	400.85	8.46	-35.03
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020307118	0	47	-1.0	-50.47	375.93	7.61	-42.86
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020307118	1	47	-1.0	-50.54	375.98	7.63	-42.91
CC(CC(N)=O)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307119	0	42	-1.0	-48.43	334.53	2.70	-45.73
CC(CC(N)=O)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307119	1	42	-1.0	-48.44	334.59	2.71	-45.73
CC(CC(N)=O)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307120	0	39	-1.0	-48.52	311.33	2.19	-46.33
CC(CC(N)=O)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307120	1	39	-1.0	-48.50	311.27	2.17	-46.33
CC(CC(N)=O)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307121	0	46	-1.0	-48.81	370.35	4.93	-43.88
CC(CC(N)=O)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307121	1	46	-1.0	-48.87	370.39	4.92	-43.95
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020307122	0	40	-1.0	-41.86	358.19	7.77	-34.09
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020307122	1	40	-1.0	-41.84	358.24	7.79	-34.05
CC1=CC(C)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307123	0	49	-1.0	-42.09	389.97	8.60	-33.49
CC1=CC(C)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307123	1	49	-1.0	-42.07	390.03	8.61	-33.46
CC1=CC(C)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307124	0	46	-1.0	-44.00	366.69	7.78	-36.22
CC1=CC(C)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307124	1	46	-1.0	-43.98	366.63	7.76	-36.22
CC1=CSC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020307125	0	42	-1.0	-38.45	370.58	7.72	-30.73
CC1=CSC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020307125	1	42	-1.0	-38.47	370.64	7.73	-30.74
CC1=CSC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020307126	0	39	-1.0	-40.08	349.14	6.96	-33.12
CC1=CSC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020307126	1	39	-1.0	-40.06	349.07	6.93	-33.13
CC1=CSC(CN(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=C1	REAL300020307127	0	46	-1.0	-41.40	387.75	9.74	-31.66
CC1=CSC(CN(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=C1	REAL300020307127	1	46	-1.0	-41.35	387.77	9.74	-31.61
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307128	0	52	-1.0	-46.04	418.35	8.72	-37.32
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307128	1	52	-1.0	-46.02	418.41	8.73	-37.29
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307129	0	49	-1.0	-47.65	395.40	7.86	-39.79
C=CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307129	1	49	-1.0	-47.66	395.46	7.88	-39.78
CCC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020307130	0	49	-1.0	-41.81	386.90	8.65	-33.16
CCC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020307130	1	49	-1.0	-41.79	386.96	8.67	-33.12
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020307131	0	46	-1.0	-43.61	364.85	7.80	-35.81
CCC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020307131	1	46	-1.0	-43.62	364.80	7.77	-35.85
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020307132	0	47	-1.0	-40.14	372.11	6.16	-33.98
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020307132	1	47	-1.0	-40.20	372.17	6.17	-34.03
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020307133	0	44	-1.0	-42.49	335.54	5.01	-37.48
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020307133	1	44	-1.0	-42.45	335.60	5.04	-37.41
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020307134	0	51	-1.0	-41.77	400.71	8.15	-33.62
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020307134	1	51	-1.0	-41.75	400.76	8.14	-33.61
CN(CC1=CC2=CC=NC=C2C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307135	0	47	-1.0	-41.26	399.18	8.39	-32.87
CN(CC1=CC2=CC=NC=C2C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307135	1	47	-1.0	-41.27	399.12	8.38	-32.89
CN(CC1=CC2=CC=NC=C2C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307136	0	44	-1.0	-43.07	377.31	7.67	-35.40
CN(CC1=CC2=CC=NC=C2C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307136	1	44	-1.0	-43.07	377.27	7.64	-35.43
CN(CC1COC(C)(C)OC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307137	0	50	-1.0	-39.85	399.55	5.99	-33.86
CN(CC1COC(C)(C)OC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307137	1	50	-1.0	-39.85	399.61	6.00	-33.85
CN(CC1COC(C)(C)OC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307138	0	47	-1.0	-42.17	371.45	5.36	-36.81
CN(CC1COC(C)(C)OC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307138	1	47	-1.0	-42.15	371.51	5.39	-36.76
FCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020307139	0	46	-1.0	-46.86	380.99	9.21	-37.65
FCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020307139	1	46	-1.0	-46.82	380.93	9.19	-37.63
FCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020307140	0	43	-1.0	-48.04	358.90	8.67	-39.37
FCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020307140	1	43	-1.0	-48.05	358.85	8.65	-39.40
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020307141	0	52	-1.0	-43.69	411.22	7.95	-35.74
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020307141	1	52	-1.0	-43.74	411.28	7.97	-35.77
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020307141	1	53	0.0	-51.80	401.17	10.20	-41.60
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020307141	1	53	0.0	-52.55	413.26	10.28	-42.27
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1C2CCCC21	REAL300020307142	0	43	-1.0	-38.98	347.97	7.40	-31.58
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1C2CCCC21	REAL300020307142	1	43	-1.0	-39.01	348.03	7.41	-31.60
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1C2CCCC21	REAL300020307143	0	40	-1.0	-42.08	330.03	6.75	-35.33
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1C2CCCC21	REAL300020307143	1	40	-1.0	-42.09	330.08	6.78	-35.31
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1C2CCCC21	REAL300020307144	0	47	-1.0	-41.37	373.24	9.64	-31.73
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1C2CCCC21	REAL300020307144	1	47	-1.0	-41.40	373.32	9.62	-31.78
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020307145	0	46	-1.0	-41.12	373.78	7.89	-33.23
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020307145	1	46	-1.0	-41.12	373.84	7.90	-33.22
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020307146	0	43	-1.0	-41.51	354.89	7.26	-34.25
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020307146	1	43	-1.0	-41.52	354.95	7.28	-34.24
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020307147	0	46	-1.0	-39.70	388.79	8.07	-31.63
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020307147	1	46	-1.0	-39.72	388.85	8.09	-31.63
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020307148	0	43	-1.0	-41.48	356.44	7.51	-33.97
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020307148	1	43	-1.0	-41.46	356.50	7.54	-33.92
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C2	REAL300020307149	0	41	-1.0	-41.05	335.63	8.07	-32.98
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C2	REAL300020307149	1	41	-1.0	-40.99	335.67	8.06	-32.93
COC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020307150	0	46	-1.0	-40.29	369.28	5.89	-34.40
COC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020307150	1	46	-1.0	-40.30	369.34	5.90	-34.40
COC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(C)C	REAL300020307151	0	43	-1.0	-41.88	339.77	5.05	-36.83
COC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(C)C	REAL300020307151	1	43	-1.0	-41.89	339.83	5.06	-36.83
COC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1(C)C	REAL300020307152	0	50	-1.0	-41.65	397.72	7.86	-33.79
COC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1(C)C	REAL300020307152	1	50	-1.0	-41.64	397.72	7.85	-33.79
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307153	0	54	0.0	-66.70	430.79	7.88	-58.82
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307153	1	54	0.0	-66.73	430.85	7.90	-58.83
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307154	0	51	0.0	-70.44	403.35	7.37	-63.07
COC(=O)C1CC([NH+](C)C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307154	1	51	0.0	-69.88	404.60	7.37	-62.51
CC(C)(C)OC(=O)CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307155	0	54	-1.0	-44.31	425.18	8.93	-35.38
CC(C)(C)OC(=O)CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307155	1	54	-1.0	-44.32	425.23	8.95	-35.37
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@H]12	REAL300020307156	0	47	-1.0	-41.51	374.80	6.55	-34.96
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@H]12	REAL300020307156	1	47	-1.0	-41.52	374.86	6.56	-34.96
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]12	REAL300020307157	0	44	-1.0	-45.02	349.95	5.52	-39.50
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]12	REAL300020307157	1	44	-1.0	-44.98	350.01	5.55	-39.43
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)C[C@H]12	REAL300020307158	0	51	-1.0	-43.28	393.80	8.29	-34.99
CO[C@@H]1CC[C@@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)C[C@H]12	REAL300020307158	1	51	-1.0	-43.25	393.85	8.28	-34.97
COC1=CC2=C(C=C1C)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020307159	0	50	-1.0	-40.45	410.10	8.43	-32.02
COC1=CC2=C(C=C1C)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020307159	1	50	-1.0	-40.42	410.15	8.45	-31.97
COC1=CC2=C(C=C1C)CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020307160	0	47	-1.0	-42.93	382.47	7.78	-35.15
COC1=CC2=C(C=C1C)CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020307160	1	47	-1.0	-42.93	382.53	7.80	-35.13
CC1(N2CCOCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307161	0	52	-1.0	-40.92	392.69	4.08	-36.84
CC1(N2CCOCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307161	1	52	-1.0	-40.93	392.75	4.09	-36.84
CC1([NH+]2CCOCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307161	1	53	0.0	-62.82	398.34	6.24	-56.58
CC1(N2CCOCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307162	0	49	-1.0	-41.60	374.01	3.45	-38.15
CC1(N2CCOCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307162	1	49	-1.0	-41.59	374.06	3.48	-38.11
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307163	0	47	-1.0	-40.65	391.61	6.29	-34.36
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307163	1	47	-1.0	-40.64	391.67	6.31	-34.33
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307164	0	44	-1.0	-43.32	364.04	5.66	-37.66
CC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307164	1	44	-1.0	-43.30	363.99	5.63	-37.67
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020307165	0	47	-1.0	-39.24	398.30	9.43	-29.81
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020307165	1	47	-1.0	-39.28	398.36	9.44	-29.84
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020307166	0	44	-1.0	-40.05	376.80	8.64	-31.41
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020307166	1	44	-1.0	-40.00	376.86	8.67	-31.33
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC[C@H]12	REAL300020307167	0	47	-1.0	-39.84	386.93	6.79	-33.05
COC[C@H]1[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC[C@H]12	REAL300020307167	1	47	-1.0	-39.91	386.99	6.81	-33.10
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC[C@H]12	REAL300020307168	0	44	-1.0	-44.09	349.87	5.45	-38.64
COC[C@H]1[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC[C@H]12	REAL300020307168	1	44	-1.0	-44.13	349.93	5.47	-38.66
COC[C@H]1[C@@H]2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CC[C@H]12	REAL300020307169	0	51	-1.0	-43.43	403.37	8.86	-34.57
COC[C@H]1[C@@H]2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CC[C@H]12	REAL300020307169	1	51	-1.0	-43.42	403.40	8.85	-34.57
FCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020307170	0	40	-1.0	-46.69	359.20	9.14	-37.55
FCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020307170	1	40	-1.0	-46.63	359.15	9.12	-37.51
FCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020307171	0	37	-1.0	-47.79	337.64	8.36	-39.43
FCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020307171	1	37	-1.0	-47.79	337.58	8.33	-39.46
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020307172	0	46	-1.0	-44.69	383.86	8.61	-36.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020307172	1	46	-1.0	-44.69	383.91	8.62	-36.07
CC(C)(C)OC(=O)N[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307173	0	53	-1.0	-42.44	422.74	5.37	-37.07
CC(C)(C)OC(=O)N[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307173	1	53	-1.0	-42.45	422.80	5.39	-37.06
N#C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1C1=CC=CC=C1	REAL300020307174	0	47	-1.0	-42.01	386.95	8.89	-33.12
N#C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1C1=CC=CC=C1	REAL300020307174	1	47	-1.0	-42.07	387.01	8.90	-33.17
N#C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1C1=CC=CC=C1	REAL300020307175	0	44	-1.0	-44.47	373.19	8.57	-35.90
N#C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1C1=CC=CC=C1	REAL300020307175	1	44	-1.0	-44.49	373.24	8.60	-35.89
CC(C)(C)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307176	0	52	-1.0	-39.19	392.94	6.86	-32.33
CC(C)(C)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307176	1	52	-1.0	-39.22	393.00	6.88	-32.34
CC(C)(C)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307177	0	49	-1.0	-40.89	375.14	6.20	-34.69
CC(C)(C)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307177	1	49	-1.0	-40.86	375.19	6.23	-34.63
CC12COC(=O)N1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307178	0	45	-1.0	-45.94	370.57	5.49	-40.45
CC12COC(=O)N1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307178	1	45	-1.0	-45.98	370.62	5.51	-40.47
CC12COC(=O)N1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307179	0	42	-1.0	-44.78	348.92	4.85	-39.93
CC12COC(=O)N1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307179	1	42	-1.0	-44.77	348.97	4.87	-39.90
CS(=O)(=O)C[C@@H]1C[C@H](F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307180	0	45	-1.0	-51.86	373.48	3.08	-48.78
CS(=O)(=O)C[C@@H]1C[C@H](F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307180	1	45	-1.0	-51.89	373.51	3.10	-48.79
CS(=O)(=O)C[C@@H]1C[C@H](F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307181	0	42	-1.0	-57.03	358.61	2.38	-54.65
CS(=O)(=O)C[C@@H]1C[C@H](F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307181	1	42	-1.0	-57.02	358.67	2.40	-54.62
CC1=C(CNC2=NN=C(CCC3=N[N-]N=N3)N2CCF)OC=C1	REAL300020307182	0	39	-1.0	-41.62	336.59	7.21	-34.41
CC1=C(CNC2=NN=C(CCC3=NN=N[N-]3)N2CCF)OC=C1	REAL300020307182	1	39	-1.0	-41.61	336.65	7.23	-34.38
CC1=C(CNC2=NN=C(CC3=NN=N[N-]3)N2CCF)OC=C1	REAL300020307183	0	36	-1.0	-42.77	320.03	6.60	-36.17
CC1=C(CNC2=NN=C(CC3=N[N-]N=N3)N2CCF)OC=C1	REAL300020307183	1	36	-1.0	-42.78	319.98	6.58	-36.20
CC1=C(CNC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)OC=C1	REAL300020307184	0	43	-1.0	-43.16	369.82	9.31	-33.85
CC1=C(CNC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)OC=C1	REAL300020307184	1	43	-1.0	-43.16	369.85	9.30	-33.86
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307185	0	49	-1.0	-41.49	389.55	8.81	-32.68
CCC1=CC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307185	1	49	-1.0	-41.45	389.61	8.83	-32.62
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307186	0	46	-1.0	-41.99	369.65	8.95	-33.04
CCC1=CC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307186	1	46	-1.0	-41.95	369.58	8.93	-33.02
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307187	0	52	-1.0	-44.05	423.67	7.95	-36.10
CCN(CCCOCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307187	1	52	-1.0	-44.03	423.72	7.97	-36.06
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020307188	0	41	-1.0	-40.93	325.94	4.90	-36.03
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020307188	1	41	-1.0	-40.91	325.99	4.91	-36.00
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020307189	0	38	-1.0	-43.36	306.15	4.17	-39.19
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020307189	1	38	-1.0	-43.33	306.21	4.20	-39.13
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020307190	0	45	-1.0	-42.17	354.25	6.87	-35.30
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020307190	1	45	-1.0	-42.12	354.30	6.86	-35.26
O=C1C2=CC=CC=C2CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020307191	0	49	-1.0	-51.67	398.28	9.04	-42.63
O=C1C2=CC=CC=C2CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020307191	1	49	-1.0	-51.71	398.34	9.07	-42.64
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@@H]1F	REAL300020307192	0	39	-1.0	-41.11	324.66	6.17	-34.94
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1F	REAL300020307192	1	39	-1.0	-41.09	324.72	6.18	-34.91
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C[C@@H]1F	REAL300020307193	0	43	-1.0	-41.66	350.74	8.27	-33.39
C[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C[C@@H]1F	REAL300020307193	1	43	-1.0	-41.62	350.77	8.26	-33.36
N#CC1(C(N)=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307194	0	41	-1.0	-49.12	351.43	2.34	-46.78
N#CC1(C(N)=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307194	1	41	-1.0	-49.14	351.49	2.35	-46.79
N#CC1(C(N)=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307195	0	38	-1.0	-51.21	326.95	1.34	-49.87
N#CC1(C(N)=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307195	1	38	-1.0	-51.24	327.01	1.37	-49.87
N#CC1(C(N)=O)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307196	0	45	-1.0	-50.08	376.08	4.11	-45.97
N#CC1(C(N)=O)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307196	1	45	-1.0	-50.10	376.11	4.10	-46.00
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020307197	0	48	-1.0	-41.25	366.40	5.86	-35.39
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020307197	1	48	-1.0	-41.22	366.46	5.87	-35.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020307198	0	45	-1.0	-40.06	340.75	5.17	-34.89
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020307198	1	45	-1.0	-40.03	340.80	5.19	-34.84
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307199	0	41	-1.0	-39.15	338.69	6.29	-32.86
C#C[C@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307199	1	41	-1.0	-39.14	338.75	6.31	-32.83
C#C[C@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307200	0	38	-1.0	-40.93	322.12	5.68	-35.25
C#C[C@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307200	1	38	-1.0	-40.94	322.07	5.65	-35.29
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307201	0	45	-1.0	-42.17	367.22	8.88	-33.29
C#C[C@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307201	1	45	-1.0	-42.14	367.25	8.86	-33.28
CN(CC1=CC=C(C2=CSC=C2)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307202	0	46	-1.0	-41.45	401.88	9.59	-31.86
CN(CC1=CC=C(C2=CSC=C2)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307202	1	46	-1.0	-41.46	401.94	9.61	-31.85
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307203	0	45	-1.0	-42.37	364.68	7.62	-34.75
CCN(CC1=CC=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307203	1	45	-1.0	-42.39	364.75	7.63	-34.76
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307204	0	42	-1.0	-47.19	352.61	7.17	-40.02
CCN(CC1=CC=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307204	1	42	-1.0	-47.22	352.56	7.14	-40.08
FCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020307205	0	40	-1.0	-44.18	351.59	7.89	-36.29
FCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020307205	1	40	-1.0	-44.14	351.53	7.87	-36.27
FCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020307206	0	37	-1.0	-45.01	329.50	7.35	-37.66
FCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020307206	1	37	-1.0	-44.98	329.44	7.34	-37.64
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020307207	0	49	-1.0	-44.38	403.23	9.65	-34.73
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020307207	1	49	-1.0	-44.44	403.28	9.67	-34.77
N#CC1=CC2=C(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)[N-]C1=O	REAL300020307208	0	43	-2.0	-80.37	382.44	4.53	-75.84
N#CC1=CC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)[N-]C1=O	REAL300020307208	1	43	-2.0	-80.36	382.50	4.54	-75.82
N#CC1=CC2=C(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)NC1=O	REAL300020307208	1	44	-1.0	-53.65	375.16	4.66	-48.99
N#CC1=CC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)NC1=O	REAL300020307208	1	44	-1.0	-53.61	375.22	4.68	-48.93
N#CC1=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)[N-]C1=O	REAL300020307209	0	40	-2.0	-83.34	354.89	3.87	-79.47
N#CC1=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)[N-]C1=O	REAL300020307209	1	40	-2.0	-83.30	354.95	3.90	-79.40
N#CC1=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)NC1=O	REAL300020307209	1	41	-1.0	-54.36	353.83	3.87	-50.49
N#CC1=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)NC1=O	REAL300020307209	1	41	-1.0	-54.34	353.89	3.90	-50.44
CN(CCCS(C)(=O)=O)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307210	0	44	-1.0	-49.11	376.77	3.41	-45.70
CN(CCCS(C)(=O)=O)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307210	1	44	-1.0	-49.06	376.83	3.43	-45.63
CN(CCCS(C)(=O)=O)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307211	0	41	-1.0	-49.09	348.89	2.78	-46.31
CN(CCCS(C)(=O)=O)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307211	1	41	-1.0	-49.07	348.95	2.80	-46.27
CN(CCC(F)F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307212	0	38	-1.0	-40.64	325.80	6.12	-34.52
CN(CCC(F)F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307212	1	38	-1.0	-40.61	325.85	6.14	-34.47
CN(CCC(F)F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307213	0	35	-1.0	-40.93	297.92	5.49	-35.44
CN(CCC(F)F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307213	1	35	-1.0	-40.99	297.97	5.51	-35.48
CN(CCC(F)F)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307214	0	42	-1.0	-42.36	361.44	8.03	-34.33
CN(CCC(F)F)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307214	1	42	-1.0	-42.42	361.48	8.02	-34.40
CN(CC1CC(F)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307215	0	42	-1.0	-40.90	344.23	7.13	-33.77
CN(CC1CC(F)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307215	1	42	-1.0	-40.91	344.29	7.15	-33.76
CN(CC1CC(F)C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307216	0	39	-1.0	-41.55	332.08	6.32	-35.23
CN(CC1CC(F)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307216	1	39	-1.0	-41.62	332.14	6.35	-35.27
CN(CC1CC(F)C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307217	0	46	-1.0	-41.05	381.71	9.10	-31.95
CN(CC1CC(F)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307217	1	46	-1.0	-41.03	381.75	9.08	-31.95
CC(C)NC(=O)CN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=N1	REAL300020307218	0	49	-1.0	-57.70	412.62	6.52	-51.18
CC(C)NC(=O)CN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=N1	REAL300020307218	1	49	-1.0	-57.70	412.57	6.51	-51.19
CC(C)NC(=O)CN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)C=N1	REAL300020307219	0	46	-1.0	-58.55	390.55	5.99	-52.56
CC(C)NC(=O)CN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)C=N1	REAL300020307219	1	46	-1.0	-58.54	390.49	5.97	-52.57
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)[C@@H]2C1	REAL300020307220	0	43	-1.0	-49.53	360.03	3.63	-45.90
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)[C@@H]2C1	REAL300020307220	1	43	-1.0	-49.54	360.09	3.64	-45.90
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)[C@@H]2C1	REAL300020307221	0	40	-1.0	-53.53	335.60	2.67	-50.86
O=S1(=O)C[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)[C@@H]2C1	REAL300020307221	1	40	-1.0	-53.48	335.66	2.70	-50.78
C#CCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307222	0	41	-1.0	-41.82	351.90	4.94	-36.88
C#CCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307222	1	41	-1.0	-41.82	351.96	4.96	-36.86
C#CCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307223	0	38	-1.0	-43.05	330.46	4.18	-38.87
C#CCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307223	1	38	-1.0	-43.03	330.40	4.15	-38.88
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307224	0	45	-1.0	-43.26	379.64	6.86	-36.40
C#CCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307224	1	45	-1.0	-43.24	379.68	6.84	-36.40
COC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1OC	REAL300020307225	0	49	-1.0	-42.25	403.48	6.83	-35.42
COC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1OC	REAL300020307225	1	49	-1.0	-42.18	403.54	6.84	-35.34
COC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1OC	REAL300020307226	0	46	-1.0	-43.49	386.56	5.91	-37.58
COC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1OC	REAL300020307226	1	46	-1.0	-43.48	386.62	5.93	-37.55
COCCN(CC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307227	0	46	-1.0	-40.78	373.30	5.74	-35.04
COCCN(CC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307227	1	46	-1.0	-40.78	373.36	5.75	-35.03
COCCN(CC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307228	0	43	-1.0	-40.93	337.14	4.96	-35.97
COCCN(CC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307228	1	43	-1.0	-40.91	337.19	4.96	-35.95
COCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307229	0	50	-1.0	-42.11	401.47	7.55	-34.56
COCCN(CC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307229	1	50	-1.0	-42.12	401.50	7.55	-34.57
CN(CC1=CC=CC(OC(F)F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307230	0	46	-1.0	-41.69	390.82	7.62	-34.07
CN(CC1=CC=CC(OC(F)F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307230	1	46	-1.0	-41.73	390.88	7.64	-34.09
CN(CC1=CC=CC(OC(F)F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307231	0	43	-1.0	-42.71	375.59	6.74	-35.97
CN(CC1=CC=CC(OC(F)F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307231	1	43	-1.0	-42.71	375.65	6.78	-35.93
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020307232	0	46	-1.0	-39.85	394.51	9.70	-30.15
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020307232	1	46	-1.0	-39.83	394.56	9.72	-30.11
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020307233	0	43	-1.0	-43.08	380.19	8.86	-34.22
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020307233	1	43	-1.0	-43.10	380.24	8.89	-34.21
CC1=CC=C(CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C2CC2)C=C1	REAL300020307234	0	49	-1.0	-39.24	395.33	9.34	-29.90
CC1=CC=C(CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C2CC2)C=C1	REAL300020307234	1	49	-1.0	-39.33	395.39	9.36	-29.97
CC1=CC=C(CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C2CC2)C=C1	REAL300020307235	0	46	-1.0	-41.53	391.89	9.18	-32.35
CC1=CC=C(CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C2CC2)C=C1	REAL300020307235	1	46	-1.0	-41.56	391.82	9.16	-32.40
CN1N=CC=C1CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020307236	0	46	-1.0	-40.58	379.70	6.71	-33.87
CN1N=CC=C1CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020307236	1	46	-1.0	-40.59	379.76	6.72	-33.87
CN1N=CC=C1CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC1	REAL300020307237	0	43	-1.0	-40.87	358.26	5.94	-34.93
CN1N=CC=C1CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC1	REAL300020307237	1	43	-1.0	-40.84	358.20	5.91	-34.93
COC(=O)C1CC(C(=O)OC)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307238	0	48	-1.0	-45.65	405.87	6.99	-38.66
COC(=O)C1CC(C(=O)OC)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307238	1	48	-1.0	-45.68	405.93	7.00	-38.68
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020307239	0	39	-1.0	-44.49	328.60	5.41	-39.08
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020307239	1	39	-1.0	-44.50	328.65	5.42	-39.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020307240	0	36	-1.0	-41.85	308.17	5.46	-36.39
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020307240	1	36	-1.0	-41.86	308.11	5.44	-36.42
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020307241	0	43	-1.0	-45.18	351.15	7.85	-37.33
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020307241	1	43	-1.0	-45.14	351.19	7.85	-37.29
CC1(C)[C@@H]2CC[C@@]1(C)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307242	0	52	-1.0	-38.59	386.94	9.17	-29.42
CC1(C)[C@@H]2CC[C@@]1(C)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307242	1	52	-1.0	-38.56	387.00	9.19	-29.37
CC1(C)[C@@H]2CC[C@@]1(C)CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307243	0	49	-1.0	-40.15	365.15	8.36	-31.79
CC1(C)[C@@H]2CC[C@@]1(C)CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307243	1	49	-1.0	-40.17	365.20	8.38	-31.79
CC1(C)CC2=C(C=CO2)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307244	0	49	-1.0	-39.47	390.49	8.31	-31.16
CC1(C)CC2=C(C=CO2)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307244	1	49	-1.0	-39.46	390.55	8.33	-31.13
CC1(C)CC2=C(C=CO2)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307245	0	46	-1.0	-41.42	368.46	7.72	-33.70
CC1(C)CC2=C(C=CO2)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307245	1	46	-1.0	-41.41	368.52	7.74	-33.67
COC(=O)C1=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCN2C=C1	REAL300020307246	0	47	-1.0	-47.44	401.02	7.80	-39.64
COC(=O)C1=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCN2C=C1	REAL300020307246	1	47	-1.0	-47.50	401.08	7.81	-39.69
COC(=O)C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN2C=C1	REAL300020307247	0	44	-1.0	-50.85	372.39	7.01	-43.84
COC(=O)C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN2C=C1	REAL300020307247	1	44	-1.0	-50.87	372.45	7.04	-43.83
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2=C(Cl)C=CC=C21	REAL300020307248	0	46	-1.0	-41.42	381.22	8.25	-33.17
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2=C(Cl)C=CC=C21	REAL300020307248	1	46	-1.0	-41.42	381.28	8.26	-33.16
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2=C(Cl)C=CC=C21	REAL300020307249	0	43	-1.0	-44.26	360.05	7.48	-36.78
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2=C(Cl)C=CC=C21	REAL300020307249	1	43	-1.0	-44.26	360.11	7.51	-36.75
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020307250	0	50	-1.0	-44.29	397.81	8.58	-35.71
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020307250	1	50	-1.0	-44.35	397.87	8.59	-35.76
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020307251	0	47	-1.0	-45.79	376.32	7.79	-38.00
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020307251	1	47	-1.0	-45.81	376.38	7.82	-37.99
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2=C(C1)NC1=CC=CC=C12	REAL300020307252	0	45	-1.0	-41.80	381.18	8.22	-33.58
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2=C(C1)NC1=CC=CC=C12	REAL300020307252	1	45	-1.0	-41.75	381.13	8.21	-33.54
COC(=O)COCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307253	0	52	-1.0	-43.90	429.14	7.54	-36.36
COC(=O)COCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307253	1	52	-1.0	-43.96	429.20	7.55	-36.41
COC(=O)COCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307254	0	49	-1.0	-46.24	411.35	6.88	-39.36
COC(=O)COCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307254	1	49	-1.0	-46.22	411.41	6.91	-39.31
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020307255	0	40	-1.0	-44.54	352.50	5.25	-39.29
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020307255	1	40	-1.0	-44.58	352.56	5.26	-39.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020307256	0	37	-1.0	-40.73	331.26	5.21	-35.52
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020307256	1	37	-1.0	-40.71	331.32	5.23	-35.48
COC(=O)C1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307257	0	48	-1.0	-41.33	389.95	7.66	-33.67
COC(=O)C1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307257	1	48	-1.0	-41.33	390.01	7.67	-33.66
COC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307258	0	45	-1.0	-42.66	367.80	6.85	-35.81
COC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307258	1	45	-1.0	-42.64	367.85	6.86	-35.78
COC(=O)[C@@H]1C[C@H]1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307259	0	52	-1.0	-42.64	429.07	9.07	-33.57
COC(=O)[C@@H]1C[C@H]1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307259	1	52	-1.0	-42.62	429.13	9.08	-33.54
COC(=O)[C@@H]1C[C@H]1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307260	0	49	-1.0	-44.06	406.84	8.45	-35.61
COC(=O)[C@@H]1C[C@H]1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307260	1	49	-1.0	-44.06	406.89	8.48	-35.58
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020307261	0	49	-1.0	-41.66	380.86	8.33	-33.33
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020307261	1	49	-1.0	-41.65	380.92	8.35	-33.30
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020307262	0	46	-1.0	-43.67	362.87	7.74	-35.93
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020307262	1	46	-1.0	-43.65	362.93	7.76	-35.89
COC1=CC=C2C(=C1)N(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2C	REAL300020307263	0	47	-1.0	-47.02	376.04	9.83	-37.19
COC1=CC=C2C(=C1)N(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2C	REAL300020307263	1	47	-1.0	-47.06	376.10	9.85	-37.21
COC1=CC=C2C(=C1)N(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2C	REAL300020307264	0	44	-1.0	-49.86	354.29	9.24	-40.62
COC1=CC=C2C(=C1)N(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2C	REAL300020307264	1	44	-1.0	-49.83	354.23	9.22	-40.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020307265	0	52	-1.0	-38.55	384.55	8.90	-29.65
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020307265	1	52	-1.0	-38.57	384.61	8.92	-29.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020307266	0	49	-1.0	-40.58	372.12	8.18	-32.40
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020307266	1	49	-1.0	-40.58	372.18	8.20	-32.38
CN(CC1CC(F)(F)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307267	0	42	-1.0	-40.50	345.14	7.07	-33.43
CN(CC1CC(F)(F)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307267	1	42	-1.0	-40.46	345.19	7.09	-33.37
CN(CC1CC(F)(F)C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307268	0	39	-1.0	-41.51	336.23	6.33	-35.18
CN(CC1CC(F)(F)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307268	1	39	-1.0	-41.50	336.29	6.35	-35.15
CN(CC1CC(F)(F)C1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307269	0	46	-1.0	-42.37	381.01	9.27	-33.10
CN(CC1CC(F)(F)C1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307269	1	46	-1.0	-42.36	381.04	9.26	-33.10
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1C1CCCCC1	REAL300020307270	0	53	-1.0	-41.61	410.24	7.82	-33.79
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1C1CCCCC1	REAL300020307270	1	53	-1.0	-41.64	410.30	7.83	-33.81
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1C1CCCCC1	REAL300020307271	0	50	-1.0	-42.50	388.75	7.02	-35.48
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1C1CCCCC1	REAL300020307271	1	50	-1.0	-42.57	388.81	7.05	-35.52
O=C1CCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2N1	REAL300020307272	0	44	-1.0	-43.53	356.51	3.89	-39.64
O=C1CCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2N1	REAL300020307272	1	44	-1.0	-43.52	356.57	3.90	-39.62
O=C1CCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2N1	REAL300020307273	0	41	-1.0	-44.56	335.04	3.10	-41.46
O=C1CCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2N1	REAL300020307273	1	41	-1.0	-44.57	335.10	3.13	-41.44
O=C1CCC2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CC2N1	REAL300020307274	0	48	-1.0	-45.48	384.77	5.84	-39.64
O=C1CCC2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CC2N1	REAL300020307274	1	48	-1.0	-45.43	384.80	5.83	-39.60
N#CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCC1(F)F	REAL300020307275	0	40	-1.0	-44.95	349.73	6.49	-38.46
N#CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCC1(F)F	REAL300020307275	1	40	-1.0	-44.95	349.79	6.51	-38.44
N#CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC1(F)F	REAL300020307276	0	37	-1.0	-46.06	332.00	5.83	-40.23
N#CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC1(F)F	REAL300020307276	1	37	-1.0	-46.10	332.06	5.85	-40.25
O=C1NCC[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@H]12	REAL300020307277	0	47	-1.0	-45.45	370.82	4.45	-41.00
O=C1NCC[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@H]12	REAL300020307277	1	47	-1.0	-45.44	370.88	4.47	-40.97
O=C1NCC[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]12	REAL300020307278	0	44	-1.0	-51.27	353.05	3.80	-47.47
O=C1NCC[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]12	REAL300020307278	1	44	-1.0	-51.27	353.10	3.82	-47.45
C=CCC1(C(=O)OCC)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307279	0	50	-1.0	-47.08	413.09	7.32	-39.76
C=CCC1(C(=O)OCC)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307279	1	50	-1.0	-47.08	413.15	7.35	-39.73
O=[N+]([O-])C1=CN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)N=C1	REAL300020307280	0	45	-1.0	-46.21	387.66	7.03	-39.18
O=[N+]([O-])C1=CN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)N=C1	REAL300020307280	1	45	-1.0	-46.17	387.61	7.01	-39.16
COC(=O)N1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@@H]1C	REAL300020307281	0	47	-1.0	-42.33	381.52	5.25	-37.08
COC(=O)N1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020307281	1	47	-1.0	-42.31	381.57	5.27	-37.04
COC(=O)N1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@@H]1C	REAL300020307282	0	44	-1.0	-43.47	349.13	4.10	-39.37
COC(=O)N1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1C	REAL300020307282	1	44	-1.0	-43.50	349.19	4.12	-39.38
O=C1OC2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2O1	REAL300020307283	0	41	-1.0	-43.83	336.00	5.28	-38.55
O=C1OC2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2O1	REAL300020307283	1	41	-1.0	-43.89	336.06	5.30	-38.59
O=C1OC2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2O1	REAL300020307284	0	38	-1.0	-45.21	314.51	4.49	-40.72
O=C1OC2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2O1	REAL300020307284	1	38	-1.0	-45.20	314.57	4.51	-40.69
FCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020307285	0	45	-1.0	-48.84	391.29	7.42	-41.42
FCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020307285	1	45	-1.0	-48.80	391.24	7.39	-41.41
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020307286	0	46	-1.0	-43.17	377.67	8.94	-34.23
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020307286	1	46	-1.0	-43.20	377.72	8.96	-34.24
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020307287	0	43	-1.0	-45.88	350.35	8.36	-37.52
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020307287	1	43	-1.0	-45.92	350.40	8.38	-37.54
CCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307288	0	48	-1.0	-38.54	383.34	8.32	-30.22
CCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307288	1	48	-1.0	-38.58	383.39	8.34	-30.24
CCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307289	0	45	-1.0	-40.84	361.83	7.54	-33.30
CCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307289	1	45	-1.0	-40.84	361.89	7.56	-33.28
CCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020307290	0	52	-1.0	-40.02	410.26	10.28	-29.74
CCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020307290	1	52	-1.0	-39.95	410.30	10.28	-29.67
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(F)(F)C1	REAL300020307291	0	45	-1.0	-41.87	385.05	7.14	-34.73
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(F)(F)C1	REAL300020307291	1	45	-1.0	-41.87	385.11	7.16	-34.71
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(F)(F)C1	REAL300020307292	0	42	-1.0	-44.24	364.25	6.38	-37.86
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(F)(F)C1	REAL300020307292	1	42	-1.0	-44.23	364.31	6.40	-37.83
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020307293	0	36	-1.0	-41.33	308.29	4.81	-36.52
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020307293	1	36	-1.0	-41.39	308.35	4.82	-36.57
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020307294	0	33	-1.0	-42.12	281.30	4.14	-37.98
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020307294	1	33	-1.0	-42.10	281.25	4.11	-37.99
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020307295	0	40	-1.0	-43.27	339.08	6.92	-36.35
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020307295	1	40	-1.0	-43.27	339.14	6.92	-36.35
CC1CC(C(N)=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307296	0	46	-1.0	-43.18	378.64	3.73	-39.45
CC1CC(C(N)=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307296	1	46	-1.0	-43.19	378.70	3.74	-39.45
CC1CC(C(N)=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307297	0	43	-1.0	-44.82	353.69	2.78	-42.04
CC1CC(C(N)=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307297	1	43	-1.0	-44.86	353.75	2.80	-42.06
CC1CC(C(N)=O)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307298	0	50	-1.0	-45.92	396.66	5.59	-40.33
CC1CC(C(N)=O)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307298	1	50	-1.0	-45.86	396.69	5.57	-40.29
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020307299	0	43	-1.0	-39.89	335.21	7.06	-32.83
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020307299	1	43	-1.0	-39.86	335.27	7.08	-32.78
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020307300	0	40	-1.0	-42.31	319.34	6.47	-35.84
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020307300	1	40	-1.0	-42.31	319.28	6.44	-35.87
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020307301	0	47	-1.0	-40.99	367.26	9.65	-31.34
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020307301	1	47	-1.0	-40.98	367.30	9.64	-31.34
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020307302	0	43	-1.0	-44.78	364.83	10.19	-34.59
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020307302	1	43	-1.0	-44.79	364.88	10.22	-34.57
CC12CCC(CC1)N2C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307303	0	43	-1.0	-40.82	330.98	6.52	-34.30
CC12CCC(CC1)N2C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307303	1	43	-1.0	-40.87	331.04	6.53	-34.34
CC12CCC(CC1)N2C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307304	0	40	-1.0	-42.75	315.94	5.98	-36.77
CC12CCC(CC1)N2C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307304	1	40	-1.0	-42.74	315.88	5.96	-36.78
CC12CCC(CC1)N2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307305	0	47	-1.0	-41.58	363.06	8.64	-32.94
CC12CCC(CC1)N2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307305	1	47	-1.0	-41.52	363.09	8.61	-32.91
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020307306	0	46	-1.0	-41.62	383.85	6.42	-35.20
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020307306	1	46	-1.0	-41.53	383.79	6.40	-35.13
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020307307	0	43	-1.0	-42.43	361.67	5.84	-36.59
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020307307	1	43	-1.0	-42.39	361.62	5.82	-36.57
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@@H]1F	REAL300020307308	0	42	-1.0	-39.00	344.54	6.84	-32.16
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1F	REAL300020307308	1	42	-1.0	-39.03	344.60	6.85	-32.18
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@@H]1F	REAL300020307309	0	39	-1.0	-41.42	326.75	6.18	-35.24
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1F	REAL300020307309	1	39	-1.0	-41.43	326.81	6.21	-35.22
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C[C@@H]1F	REAL300020307310	0	46	-1.0	-41.88	367.27	9.03	-32.85
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C[C@@H]1F	REAL300020307310	1	46	-1.0	-41.91	367.32	9.01	-32.90
COC1(OC)CC(C(N)=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307311	0	51	-1.0	-42.79	411.09	1.78	-41.01
COC1(OC)CC(C(N)=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307311	1	51	-1.0	-42.81	411.15	1.80	-41.01
COC1(OC)CC(C(N)=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307312	0	48	-1.0	-45.35	376.49	0.60	-44.75
COC1(OC)CC(C(N)=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307312	1	48	-1.0	-45.35	376.55	0.63	-44.72
CC1=NN=C(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)O1	REAL300020307313	0	47	-1.0	-43.83	394.66	2.98	-40.85
CC1=NN=C(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)O1	REAL300020307313	1	47	-1.0	-43.83	394.72	3.00	-40.83
CC1=NN=C(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)O1	REAL300020307314	0	44	-1.0	-44.63	373.16	2.20	-42.43
CC1=NN=C(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)O1	REAL300020307314	1	44	-1.0	-44.63	373.22	2.22	-42.41
O=C1CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)N1	REAL300020307315	0	47	-1.0	-46.78	381.29	4.87	-41.91
O=C1CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)N1	REAL300020307315	1	47	-1.0	-46.77	381.35	4.89	-41.88
O=C1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)N1	REAL300020307316	0	44	-1.0	-48.25	356.11	4.18	-44.07
O=C1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)N1	REAL300020307316	1	44	-1.0	-48.22	356.17	4.21	-44.01
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020307317	0	45	-1.0	-41.53	370.53	7.91	-33.62
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020307317	1	45	-1.0	-41.54	370.59	7.92	-33.62
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020307318	0	42	-1.0	-43.05	352.63	7.02	-36.03
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020307318	1	42	-1.0	-43.05	352.69	7.04	-36.01
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307319	0	50	-1.0	-44.09	401.57	6.56	-37.53
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307319	1	50	-1.0	-44.11	401.63	6.58	-37.53
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307320	0	47	-1.0	-43.05	383.80	6.64	-36.41
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307320	1	47	-1.0	-43.10	383.86	6.66	-36.44
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H](C2=CC=C(F)C=C2)O1	REAL300020307321	0	47	-1.0	-42.19	384.80	7.23	-34.96
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H](C2=CC=C(F)C=C2)O1	REAL300020307321	1	47	-1.0	-42.19	384.86	7.25	-34.94
CN(CC1=CN=C2C=CC(Cl)=CN12)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307322	0	42	-1.0	-42.40	380.37	8.05	-34.35
CN(CC1=CN=C2C=CC(Cl)=CN12)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307322	1	42	-1.0	-42.43	380.31	8.03	-34.40
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@@H]1O	REAL300020307323	0	43	-1.0	-40.45	349.17	3.88	-36.57
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]1O	REAL300020307323	1	43	-1.0	-40.45	349.23	3.89	-36.56
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@@H]1O	REAL300020307324	0	40	-1.0	-42.19	316.23	2.52	-39.67
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]1O	REAL300020307324	1	40	-1.0	-42.17	316.29	2.54	-39.63
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C[C@@H]1O	REAL300020307325	0	47	-1.0	-42.72	364.68	5.23	-37.49
C[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C[C@@H]1O	REAL300020307325	1	47	-1.0	-42.65	364.71	5.22	-37.43
OC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2(CCCC2)C1	REAL300020307326	0	50	-1.0	-39.59	374.77	4.92	-34.67
OC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2(CCCC2)C1	REAL300020307326	1	50	-1.0	-39.62	374.82	4.94	-34.68
OC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2(CCCC2)C1	REAL300020307327	0	47	-1.0	-41.96	358.33	4.29	-37.67
OC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2(CCCC2)C1	REAL300020307327	1	47	-1.0	-41.98	358.38	4.31	-37.67
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020307328	0	45	-1.0	-41.15	382.43	6.55	-34.60
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020307328	1	45	-1.0	-41.18	382.49	6.58	-34.60
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020307329	0	49	-1.0	-41.22	402.90	10.66	-30.56
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020307329	1	49	-1.0	-41.22	402.96	10.67	-30.55
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020307330	0	46	-1.0	-42.71	381.69	9.72	-32.99
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020307330	1	46	-1.0	-42.67	381.63	9.70	-32.97
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020307331	0	50	-1.0	-39.59	396.42	9.77	-29.82
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020307331	1	50	-1.0	-39.63	396.48	9.79	-29.84
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020307332	0	47	-1.0	-42.14	378.73	9.14	-33.00
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020307332	1	47	-1.0	-42.14	378.67	9.12	-33.02
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCC2(CC1)OCCO2	REAL300020307333	0	51	-1.0	-41.54	400.67	5.45	-36.09
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCC2(CC1)OCCO2	REAL300020307333	1	51	-1.0	-41.54	400.73	5.47	-36.07
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCC2(CC1)OCCO2	REAL300020307334	0	48	-1.0	-42.51	381.49	4.78	-37.73
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCC2(CC1)OCCO2	REAL300020307334	1	48	-1.0	-42.53	381.54	4.80	-37.73
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C(C)C1CCC1	REAL300020307335	0	48	-1.0	-39.48	366.20	8.13	-31.35
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C(C)C1CCC1	REAL300020307335	1	48	-1.0	-39.50	366.26	8.14	-31.36
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C(C)C1CCC1	REAL300020307336	0	45	-1.0	-41.67	356.20	5.82	-35.85
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C(C)C1CCC1	REAL300020307336	1	45	-1.0	-41.70	356.26	5.85	-35.85
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C(C)C1CCC1	REAL300020307337	0	52	-1.0	-40.71	398.00	10.23	-30.48
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C(C)C1CCC1	REAL300020307337	1	52	-1.0	-40.71	398.04	10.22	-30.49
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307338	0	50	-1.0	-44.09	401.57	6.56	-37.53
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307338	1	50	-1.0	-44.11	401.63	6.58	-37.53
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307339	0	47	-1.0	-43.05	383.80	6.64	-36.41
CN(C)C1=NC=CC2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307339	1	47	-1.0	-43.10	383.86	6.66	-36.44
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020307340	0	37	-1.0	-37.99	339.32	7.24	-30.75
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020307340	1	37	-1.0	-37.97	339.38	7.25	-30.72
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020307341	0	34	-1.0	-39.26	317.76	6.45	-32.81
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020307341	1	34	-1.0	-39.25	317.82	6.48	-32.77
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307342	0	45	-1.0	-39.93	373.52	7.89	-32.04
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307342	1	45	-1.0	-39.89	373.58	7.90	-31.99
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307343	0	42	-1.0	-41.59	356.70	8.25	-33.34
CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307343	1	42	-1.0	-41.60	356.65	8.22	-33.38
OC1(C2=CC=CC=C2F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307344	0	47	-1.0	-44.26	390.45	5.59	-38.67
OC1(C2=CC=CC=C2F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307344	1	47	-1.0	-44.28	390.50	5.60	-38.68
OC1(C2=CC=CC=C2F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307345	0	44	-1.0	-47.62	358.25	4.75	-42.87
OC1(C2=CC=CC=C2F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307345	1	44	-1.0	-47.65	358.30	4.77	-42.88
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020307346	0	40	-1.0	-40.04	328.72	5.88	-34.16
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020307346	1	40	-1.0	-40.02	328.78	5.89	-34.13
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC12CC2	REAL300020307347	0	44	-1.0	-41.09	358.68	7.98	-33.11
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC12CC2	REAL300020307347	1	44	-1.0	-41.09	358.73	7.97	-33.12
CC1=CC=C(C2(C)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020307348	0	55	-1.0	-39.46	426.44	10.60	-28.86
CC1=CC=C(C2(C)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020307348	1	55	-1.0	-39.47	426.50	10.62	-28.85
CC1=CC=C(C2(C)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020307349	0	52	-1.0	-41.06	408.60	9.95	-31.11
CC1=CC=C(C2(C)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020307349	1	52	-1.0	-41.07	408.66	9.97	-31.10
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020307350	0	44	-1.0	-40.77	359.90	7.32	-33.45
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020307350	1	44	-1.0	-40.78	359.96	7.34	-33.44
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020307351	0	41	-1.0	-42.92	331.82	6.75	-36.17
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020307351	1	41	-1.0	-42.96	331.88	6.78	-36.18
O=C1CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)N1	REAL300020307352	0	44	-1.0	-46.05	350.00	3.53	-42.52
O=C1CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)N1	REAL300020307352	1	44	-1.0	-46.12	350.06	3.54	-42.58
O=C1CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)N1	REAL300020307353	0	41	-1.0	-46.65	327.90	3.00	-43.65
O=C1CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)N1	REAL300020307353	1	41	-1.0	-46.66	327.96	3.03	-43.63
O=C1CCC2(CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)C2)N1	REAL300020307354	0	48	-1.0	-47.87	382.50	5.63	-42.24
O=C1CCC2(CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)C2)N1	REAL300020307354	1	48	-1.0	-47.88	382.53	5.63	-42.25
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307355	0	51	-1.0	-38.78	416.50	9.89	-28.89
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307355	1	51	-1.0	-38.79	416.56	9.90	-28.89
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307356	0	48	-1.0	-39.87	395.00	9.10	-30.77
CCCN(CC1=CC=C(F)C=C1C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307356	1	48	-1.0	-39.84	395.06	9.13	-30.71
C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H](C)C1(F)F	REAL300020307357	0	45	-1.0	-39.41	372.67	7.48	-31.93
C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H](C)C1(F)F	REAL300020307357	1	45	-1.0	-39.40	372.72	7.50	-31.90
C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H](C)C1(F)F	REAL300020307358	0	42	-1.0	-40.71	350.52	6.90	-33.81
C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H](C)C1(F)F	REAL300020307358	1	42	-1.0	-40.73	350.57	6.92	-33.81
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020307359	0	39	-1.0	-42.39	321.48	3.29	-39.10
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020307359	1	39	-1.0	-42.37	321.54	3.30	-39.07
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020307360	0	36	-1.0	-45.77	302.49	2.66	-43.11
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020307360	1	36	-1.0	-45.80	302.55	2.69	-43.11
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020307361	0	43	-1.0	-44.09	352.43	5.41	-38.68
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020307361	1	43	-1.0	-44.10	352.48	5.40	-38.70
CN(CC1=NN=NN1C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307362	0	40	-1.0	-44.33	344.21	3.70	-40.63
CN(CC1=NN=NN1C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307362	1	40	-1.0	-44.38	344.26	3.71	-40.67
CN(CC1=NN=NN1C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307363	0	37	-1.0	-44.88	321.32	2.98	-41.90
CN(CC1=NN=NN1C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307363	1	37	-1.0	-44.88	321.26	2.96	-41.92
CN(CC1=NN=NN1C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307364	0	44	-1.0	-47.74	362.45	5.77	-41.97
CN(CC1=NN=NN1C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307364	1	44	-1.0	-47.68	362.50	5.77	-41.91
CN(CCOC1CC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307365	0	43	-1.0	-39.32	354.37	6.37	-32.95
CN(CCOC1CC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307365	1	43	-1.0	-39.37	354.43	6.39	-32.98
CN(CCOC1CC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307366	0	40	-1.0	-40.64	340.16	5.42	-35.22
CN(CCOC1CC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307366	1	40	-1.0	-40.64	340.22	5.45	-35.19
CN(CCOC1CC1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307367	0	47	-1.0	-42.63	387.69	7.97	-34.66
CN(CCOC1CC1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307367	1	47	-1.0	-42.62	387.72	7.97	-34.65
CC(C)(C)OC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307368	0	52	-1.0	-38.74	406.43	7.47	-31.27
CC(C)(C)OC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307368	1	52	-1.0	-38.78	406.49	7.48	-31.30
CC(C)(C)OC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307369	0	49	-1.0	-41.50	387.08	6.75	-34.75
CC(C)(C)OC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307369	1	49	-1.0	-41.50	387.14	6.78	-34.72
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1O	REAL300020307370	0	46	-1.0	-49.09	381.97	3.57	-45.52
COC(=O)C[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1O	REAL300020307370	1	46	-1.0	-49.09	382.02	3.58	-45.51
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1O	REAL300020307371	0	43	-1.0	-50.51	357.71	2.58	-47.93
COC(=O)C[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1O	REAL300020307371	1	43	-1.0	-50.51	357.77	2.61	-47.90
OC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307372	0	47	-1.0	-45.03	388.06	6.01	-39.02
OC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307372	1	47	-1.0	-45.07	388.12	6.03	-39.04
OC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307373	0	44	-1.0	-45.27	362.92	5.03	-40.24
OC1(C2=CC=CC(F)=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307373	1	44	-1.0	-45.31	362.98	5.05	-40.26
C[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC2=CC=C(Cl)C=C21	REAL300020307374	0	46	-1.0	-42.00	354.02	6.75	-35.25
C[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC2=CC=C(Cl)C=C21	REAL300020307374	1	46	-1.0	-42.04	354.08	6.77	-35.27
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307375	0	48	-1.0	-40.28	405.35	8.97	-31.31
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307375	1	48	-1.0	-40.25	405.40	8.98	-31.27
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307376	0	45	-1.0	-41.63	382.07	8.35	-33.28
CCCN(CC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307376	1	45	-1.0	-41.64	382.12	8.36	-33.28
CC1=CC=C(C2(O)CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020307377	0	50	-1.0	-41.84	402.33	6.39	-35.45
CC1=CC=C(C2(O)CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020307377	1	50	-1.0	-41.81	402.38	6.40	-35.41
CC1=CC=C(C2(O)CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020307378	0	47	-1.0	-44.20	372.40	5.75	-38.45
CC1=CC=C(C2(O)CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020307378	1	47	-1.0	-44.22	372.45	5.77	-38.45
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300020307379	0	41	-1.0	-43.35	363.42	6.06	-37.29
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300020307379	1	41	-1.0	-43.33	363.47	6.08	-37.25
COC1=CC=CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020307380	0	43	-1.0	-41.37	357.32	7.46	-33.91
COC1=CC=CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020307380	1	43	-1.0	-41.35	357.38	7.48	-33.87
COC1=CC=CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020307381	0	40	-1.0	-41.59	336.12	6.95	-34.64
COC1=CC=CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020307381	1	40	-1.0	-41.60	336.07	6.94	-34.66
COC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=C1	REAL300020307382	0	47	-1.0	-42.57	392.41	9.64	-32.93
COC1=CC=CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=C1	REAL300020307382	1	47	-1.0	-42.49	392.45	9.63	-32.86
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307383	0	41	-1.0	-39.75	370.46	6.87	-32.88
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307383	1	41	-1.0	-39.73	370.52	6.89	-32.84
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307384	0	38	-1.0	-43.99	342.22	5.92	-38.07
CN(CC1=CC(Cl)=CC=N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307384	1	38	-1.0	-44.03	342.27	5.94	-38.09
CC(C)(C)OC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307385	0	52	-1.0	-40.29	406.60	7.28	-33.01
CC(C)(C)OC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307385	1	52	-1.0	-40.31	406.66	7.30	-33.01
CC(C)(C)OC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307386	0	49	-1.0	-41.56	387.70	6.61	-34.95
CC(C)(C)OC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307386	1	49	-1.0	-41.62	387.75	6.63	-34.99
CC1(C)C2CCC13CCN(C1=NN=C(CCC4=N[N-]N=N4)N1CCF)C3C2	REAL300020307387	0	53	-1.0	-40.10	387.11	10.35	-29.75
CC1(C)C2CCC13CCN(C1=NN=C(CCC4=NN=N[N-]4)N1CCF)C3C2	REAL300020307387	1	53	-1.0	-40.14	387.17	10.36	-29.78
CC1(C)C2CCC13CCN(C1=NN=C(CC4=N[N-]N=N4)N1CCF)C3C2	REAL300020307388	0	50	-1.0	-42.97	365.01	9.81	-33.16
CC1(C)C2CCC13CCN(C1=NN=C(CC4=NN=N[N-]4)N1CCF)C3C2	REAL300020307388	1	50	-1.0	-42.97	365.07	9.83	-33.14
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020307389	0	53	-1.0	-39.53	419.21	10.93	-28.60
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020307389	1	53	-1.0	-39.49	419.27	10.94	-28.55
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020307390	0	50	-1.0	-44.42	391.39	9.15	-35.27
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020307390	1	50	-1.0	-44.45	391.46	9.18	-35.27
CN1C(=O)NC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C1=O	REAL300020307391	0	48	-1.0	-46.72	392.54	4.08	-42.64
CN1C(=O)NC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C1=O	REAL300020307391	1	48	-1.0	-46.73	392.60	4.09	-42.64
CN(CC1=CN=C(N2C=CC=N2)S1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307392	0	42	-1.0	-44.22	383.56	6.77	-37.45
CN(CC1=CN=C(N2C=CC=N2)S1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307392	1	42	-1.0	-44.25	383.50	6.75	-37.50
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307393	0	40	-1.0	-43.75	334.21	6.52	-37.23
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307393	1	40	-1.0	-43.72	334.27	6.53	-37.19
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307394	0	37	-1.0	-44.55	316.21	5.92	-38.63
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307394	1	37	-1.0	-44.53	316.27	5.94	-38.59
N#CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307395	0	44	-1.0	-45.24	366.16	8.51	-36.73
N#CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307395	1	44	-1.0	-45.19	366.19	8.50	-36.69
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020307396	0	46	-1.0	-42.05	381.21	8.57	-33.48
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020307396	1	46	-1.0	-42.03	381.27	8.59	-33.44
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020307397	0	43	-1.0	-43.89	359.44	7.97	-35.92
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020307397	1	43	-1.0	-43.89	359.49	7.99	-35.90
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307398	0	52	-1.0	-41.87	411.19	7.41	-34.46
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307398	1	52	-1.0	-41.87	411.24	7.43	-34.44
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307399	0	49	-1.0	-42.50	387.93	6.89	-35.61
CC(CCC1=CC=C(O)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307399	1	49	-1.0	-42.45	387.98	6.91	-35.54
NC(=O)C(F)(F)C1(O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307400	0	44	-1.0	-44.59	368.21	1.31	-43.28
NC(=O)C(F)(F)C1(O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307400	1	44	-1.0	-44.61	368.27	1.33	-43.28
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020307401	0	49	-1.0	-43.03	408.28	8.76	-34.27
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020307401	1	49	-1.0	-43.05	408.22	8.74	-34.31
CCCC(C)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307402	0	47	-1.0	-38.78	371.90	8.11	-30.67
CCCC(C)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307402	1	47	-1.0	-38.84	371.96	8.12	-30.72
CCCC(C)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307403	0	44	-1.0	-40.21	358.57	7.50	-32.71
CCCC(C)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307403	1	44	-1.0	-40.22	358.63	7.53	-32.69
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307404	0	51	-1.0	-40.74	403.49	10.32	-30.42
CCCC(C)CN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307404	1	51	-1.0	-40.74	403.53	10.31	-30.43
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020307405	0	46	-1.0	-43.17	377.67	8.94	-34.23
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020307405	1	46	-1.0	-43.20	377.72	8.96	-34.24
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020307406	0	43	-1.0	-45.88	350.35	8.36	-37.52
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020307406	1	43	-1.0	-45.92	350.40	8.38	-37.54
FCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020307407	0	43	-1.0	-50.50	382.73	9.58	-40.92
FCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020307407	1	43	-1.0	-50.53	382.68	9.55	-40.98
O=C1NCCC1N1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020307408	0	44	-1.0	-48.69	377.63	5.74	-42.95
O=C1NCCC1N1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020307408	1	44	-1.0	-48.65	377.58	5.73	-42.92
O=C1NCCC1N1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020307409	0	41	-1.0	-51.08	356.15	4.97	-46.11
O=C1NCCC1N1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020307409	1	41	-1.0	-51.07	356.11	4.94	-46.13
CN(CC1=NN(C)C=C1Br)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307410	0	39	-1.0	-45.11	356.52	5.31	-39.80
CN(CC1=NN(C)C=C1Br)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307410	1	39	-1.0	-45.14	356.57	5.34	-39.80
C#CCOC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307411	0	45	-1.0	-42.43	379.13	6.67	-35.76
C#CCOC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307411	1	45	-1.0	-42.42	379.18	6.68	-35.74
C#CCOC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307412	0	42	-1.0	-45.33	361.10	6.02	-39.31
C#CCOC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307412	1	42	-1.0	-45.36	361.15	6.04	-39.32
C#CCOC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307413	0	49	-1.0	-44.96	400.20	8.85	-36.11
C#CCOC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307413	1	49	-1.0	-44.92	400.23	8.85	-36.07
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCSCC1	REAL300020307414	0	43	-1.0	-39.57	340.48	6.90	-32.67
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCSCC1	REAL300020307414	1	43	-1.0	-39.61	340.54	6.91	-32.70
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCSCC1	REAL300020307415	0	40	-1.0	-40.03	318.72	6.46	-33.57
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCSCC1	REAL300020307415	1	40	-1.0	-40.06	318.78	6.48	-33.58
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCSCC1	REAL300020307416	0	47	-1.0	-41.22	377.50	9.20	-32.02
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCSCC1	REAL300020307416	1	47	-1.0	-41.18	377.50	9.19	-31.99
O=C1NCCC1N1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=N1	REAL300020307417	0	44	-1.0	-49.12	377.92	4.77	-44.35
O=C1NCCC1N1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=N1	REAL300020307417	1	44	-1.0	-49.15	377.86	4.75	-44.40
O=C1NCCC1N1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)C=N1	REAL300020307418	0	41	-1.0	-50.07	351.02	4.10	-45.97
O=C1NCCC1N1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)C=N1	REAL300020307418	1	41	-1.0	-50.04	350.97	4.07	-45.97
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307419	0	51	-1.0	-39.60	409.45	10.30	-29.30
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307419	1	51	-1.0	-39.58	409.51	10.31	-29.27
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307420	0	48	-1.0	-42.67	389.89	9.60	-33.07
CC(CC1=CC=CC=C1)CN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307420	1	48	-1.0	-42.69	389.94	9.63	-33.06
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307421	0	42	-1.0	-42.01	365.09	7.85	-34.16
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307421	1	42	-1.0	-42.00	365.14	7.86	-34.14
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307422	0	39	-1.0	-41.92	343.77	7.08	-34.84
CN(CC1=CC=CC(F)=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307422	1	39	-1.0	-41.97	343.83	7.11	-34.86
CN(CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307423	0	49	-1.0	-42.49	411.09	9.23	-33.26
CN(CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307423	1	49	-1.0	-42.47	411.03	9.21	-33.26
CN(CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307424	0	46	-1.0	-44.36	389.35	8.44	-35.92
CN(CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307424	1	46	-1.0	-44.36	389.30	8.42	-35.94
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCC(C(F)F)CC1	REAL300020307425	0	48	-1.0	-41.14	382.49	8.92	-32.22
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCC(C(F)F)CC1	REAL300020307425	1	48	-1.0	-41.13	382.55	8.94	-32.19
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCC(C(F)F)CC1	REAL300020307426	0	45	-1.0	-42.21	360.14	8.08	-34.13
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCC(C(F)F)CC1	REAL300020307426	1	45	-1.0	-42.23	360.20	8.11	-34.12
COC(=O)C1(CF)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307427	0	45	-1.0	-45.79	371.74	6.64	-39.15
COC(=O)C1(CF)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307427	1	45	-1.0	-45.79	371.80	6.65	-39.14
COC(=O)C1(CF)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307428	0	42	-1.0	-48.31	349.45	5.81	-42.50
COC(=O)C1(CF)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307428	1	42	-1.0	-48.29	349.51	5.83	-42.46
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307429	0	46	-1.0	-39.79	394.93	9.02	-30.77
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307429	1	46	-1.0	-39.84	394.98	9.04	-30.80
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307430	0	43	-1.0	-41.37	373.53	8.39	-32.98
C=CCN(CC1=CC=C(Cl)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307430	1	43	-1.0	-41.36	373.48	8.36	-33.00
C#CCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020307431	0	42	-1.0	-43.27	360.84	5.91	-37.36
C#CCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020307431	1	42	-1.0	-43.23	360.89	5.93	-37.30
C#CCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1=O	REAL300020307432	0	39	-1.0	-43.84	339.35	5.12	-38.72
C#CCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1=O	REAL300020307432	1	39	-1.0	-43.86	339.41	5.14	-38.72
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1=O	REAL300020307433	0	46	-1.0	-45.30	384.44	7.83	-37.47
C#CCN1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1=O	REAL300020307433	1	46	-1.0	-45.28	384.48	7.82	-37.46
COC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307434	0	40	-1.0	-40.95	327.48	4.49	-36.46
COC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307434	1	40	-1.0	-40.96	327.53	4.51	-36.45
COC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307435	0	44	-1.0	-42.28	355.06	6.47	-35.81
COC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307435	1	44	-1.0	-42.29	355.08	6.46	-35.83
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307436	0	50	-1.0	-40.54	410.81	7.76	-32.78
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307436	1	50	-1.0	-40.60	410.87	7.78	-32.82
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307437	0	47	-1.0	-43.08	390.48	7.05	-36.03
C=CCN(CC1=CC=CC(OC)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307437	1	47	-1.0	-43.06	390.42	7.02	-36.04
CC(C)N(CCNC(=O)OC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307438	0	55	-1.0	-50.44	432.10	4.34	-46.10
CC(C)N(CCNC(=O)OC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307438	1	55	-1.0	-50.45	432.16	4.37	-46.08
CC1=CC(Cl)=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020307439	0	46	-1.0	-38.75	390.40	9.43	-29.32
CC1=CC(Cl)=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020307439	1	46	-1.0	-38.75	390.46	9.45	-29.30
CC1=CC(Cl)=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020307440	0	43	-1.0	-43.19	361.98	7.60	-35.59
CC1=CC(Cl)=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020307440	1	43	-1.0	-43.26	362.04	7.63	-35.63
CC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020307441	0	43	-1.0	-40.05	358.03	8.26	-31.79
CC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020307441	1	43	-1.0	-40.01	358.09	8.27	-31.74
CC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2=C1	REAL300020307442	0	40	-1.0	-42.56	335.99	7.45	-35.11
CC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2=C1	REAL300020307442	1	40	-1.0	-42.55	335.93	7.42	-35.13
CC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)CC2=C1	REAL300020307443	0	47	-1.0	-41.54	383.17	10.08	-31.46
CC1=CC=C2CN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)CC2=C1	REAL300020307443	1	47	-1.0	-41.54	383.19	10.07	-31.47
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307444	0	43	-1.0	-45.17	348.96	5.27	-39.90
CC1CN2N=CC=C2CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307444	1	43	-1.0	-45.17	349.02	5.29	-39.88
CC1CN2N=CC=C2CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307445	0	40	-1.0	-46.59	322.59	4.62	-41.97
CC1CN2N=CC=C2CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307445	1	40	-1.0	-46.57	322.52	4.61	-41.96
CC1CN2N=CC=C2CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307446	0	47	-1.0	-46.34	375.23	7.60	-38.74
CC1CN2N=CC=C2CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307446	1	47	-1.0	-46.27	375.28	7.59	-38.68
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1S(C)(=O)=O	REAL300020307447	0	47	-1.0	-49.05	379.78	3.66	-45.39
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1S(C)(=O)=O	REAL300020307447	1	47	-1.0	-49.10	379.84	3.68	-45.42
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020307448	0	45	-1.0	-40.63	368.65	7.62	-33.01
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020307448	1	45	-1.0	-40.65	368.70	7.64	-33.01
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020307449	0	42	-1.0	-42.28	347.13	7.07	-35.21
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020307449	1	42	-1.0	-42.30	347.19	7.09	-35.21
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307450	0	52	-1.0	-39.33	419.07	10.15	-29.18
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307450	1	52	-1.0	-39.32	419.13	10.17	-29.15
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307451	0	49	-1.0	-41.37	393.17	9.50	-31.87
CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307451	1	49	-1.0	-41.37	393.22	9.51	-31.86
CC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@@H]2CCO[C@@H]21	REAL300020307452	0	53	-1.0	-39.07	380.10	8.49	-30.58
CC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@@H]2CCO[C@@H]21	REAL300020307452	1	53	-1.0	-39.13	380.16	8.51	-30.62
CC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@@H]2CCO[C@@H]21	REAL300020307453	0	50	-1.0	-41.43	363.36	7.85	-33.58
CC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@@H]2CCO[C@@H]21	REAL300020307453	1	50	-1.0	-41.43	363.42	7.88	-33.55
CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307454	0	46	-1.0	-39.43	369.21	6.16	-33.27
CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307454	1	46	-1.0	-39.44	369.27	6.18	-33.26
CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307455	0	43	-1.0	-40.46	344.83	5.51	-34.95
CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307455	1	43	-1.0	-40.44	344.89	5.53	-34.91
CCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020307456	0	50	-1.0	-40.67	396.18	8.09	-32.58
CCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020307456	1	50	-1.0	-40.60	396.22	8.08	-32.52
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020307457	0	49	-1.0	-40.05	359.19	8.24	-31.81
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020307457	1	49	-1.0	-40.07	359.24	8.25	-31.82
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020307458	0	46	-1.0	-41.28	335.29	7.64	-33.64
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020307458	1	46	-1.0	-41.30	335.35	7.67	-33.63
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020307459	0	53	-1.0	-40.23	396.53	10.68	-29.55
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020307459	1	53	-1.0	-40.20	396.58	10.67	-29.53
C=CCCC1(C(=O)OC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307460	0	52	-1.0	-46.47	415.60	8.63	-37.84
C=CCCC1(C(=O)OC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307460	1	52	-1.0	-46.46	415.66	8.65	-37.81
COC1=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)=CC=C1C	REAL300020307461	0	43	-1.0	-42.35	358.41	8.44	-33.91
COC1=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)=CC=C1C	REAL300020307461	1	43	-1.0	-42.36	358.36	8.43	-33.93
COC1=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)=CC=C1C	REAL300020307462	0	40	-1.0	-43.73	336.08	7.92	-35.81
COC1=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)=CC=C1C	REAL300020307462	1	40	-1.0	-43.77	336.02	7.89	-35.88
COC1=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=CC=C1C	REAL300020307463	0	47	-1.0	-44.00	391.50	10.50	-33.50
COC1=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=CC=C1C	REAL300020307463	1	47	-1.0	-44.06	391.44	10.51	-33.55
O=S(=O)(NCC1CC1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307464	0	48	-1.0	-50.00	410.80	3.38	-46.62
O=S(=O)(NCC1CC1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307464	1	48	-1.0	-50.02	410.86	3.40	-46.62
O=C1C=CC2=C(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)N1	REAL300020307465	0	43	-1.0	-48.89	352.98	4.11	-44.78
O=C1C=CC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)N1	REAL300020307465	1	43	-1.0	-48.87	353.03	4.13	-44.74
O=C1C=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)N1	REAL300020307466	0	40	-1.0	-49.73	334.38	3.77	-45.96
O=C1C=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)N1	REAL300020307466	1	40	-1.0	-49.73	334.32	3.74	-45.99
CC1C2=CC=C(Cl)C=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307467	0	46	-1.0	-39.09	384.95	8.50	-30.59
CC1C2=CC=C(Cl)C=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307467	1	46	-1.0	-39.09	385.00	8.52	-30.57
CC1C2=CC=C(Cl)C=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307468	0	43	-1.0	-42.65	358.70	7.66	-34.99
CC1C2=CC=C(Cl)C=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307468	1	43	-1.0	-42.66	358.76	7.67	-34.99
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(F)F	REAL300020307469	0	43	-1.0	-47.07	367.91	7.18	-39.89
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(F)F	REAL300020307469	1	43	-1.0	-47.07	367.96	7.19	-39.88
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(F)F	REAL300020307470	0	40	-1.0	-49.66	345.97	6.58	-43.08
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(F)F	REAL300020307470	1	40	-1.0	-49.68	346.02	6.59	-43.09
OC1(CC2=CC=CC(F)=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307471	0	47	-1.0	-45.09	382.88	5.59	-39.50
OC1(CC2=CC=CC(F)=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307471	1	47	-1.0	-45.13	382.93	5.61	-39.52
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020307472	0	50	-1.0	-41.28	394.80	9.73	-31.55
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020307472	1	50	-1.0	-41.29	394.86	9.75	-31.54
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020307473	0	47	-1.0	-43.14	371.31	9.22	-33.92
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020307473	1	47	-1.0	-43.13	371.37	9.24	-33.89
CC1(C)C[C@H]2OCC[C@H]2CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307474	0	53	-1.0	-39.47	395.30	7.80	-31.67
CC1(C)C[C@H]2OCC[C@H]2CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307474	1	53	-1.0	-39.50	395.36	7.81	-31.69
CC1(C)C[C@H]2OCC[C@H]2CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307475	0	50	-1.0	-41.17	373.10	6.94	-34.23
CC1(C)C[C@H]2OCC[C@H]2CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307475	1	50	-1.0	-41.18	373.14	6.95	-34.23
O=C1CCCC2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2N1	REAL300020307476	0	47	-1.0	-45.85	376.83	4.53	-41.32
O=C1CCCC2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2N1	REAL300020307476	1	47	-1.0	-45.89	376.88	4.54	-41.35
O=C1CCCC2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2N1	REAL300020307477	0	44	-1.0	-48.07	341.22	3.76	-44.31
O=C1CCCC2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2N1	REAL300020307477	1	44	-1.0	-48.05	341.27	3.78	-44.27
CCC=C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307478	0	43	-1.0	-39.98	347.82	7.46	-32.52
CCC=C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307478	1	43	-1.0	-39.99	347.88	7.47	-32.52
CCC=C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307479	0	40	-1.0	-40.96	331.01	6.79	-34.17
CCC=C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307479	1	40	-1.0	-40.96	330.95	6.76	-34.20
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307480	0	47	-1.0	-41.15	378.99	9.61	-31.54
CCC=C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307480	1	47	-1.0	-41.12	379.03	9.60	-31.52
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307481	0	44	-1.0	-48.02	376.55	1.51	-46.51
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307481	1	44	-1.0	-48.03	376.60	1.53	-46.50
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307482	0	41	-1.0	-50.22	354.79	0.88	-49.34
CS(=O)(=O)N[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307482	1	41	-1.0	-50.26	354.85	0.89	-49.37
OCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307483	0	46	-1.0	-40.56	373.26	4.20	-36.36
OCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307483	1	46	-1.0	-40.52	373.31	4.22	-36.30
OCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307484	0	43	-1.0	-42.44	351.75	3.43	-39.01
OCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307484	1	43	-1.0	-42.49	351.81	3.45	-39.04
OCCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020307485	0	50	-1.0	-42.11	400.19	6.17	-35.94
OCCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020307485	1	50	-1.0	-42.10	400.22	6.17	-35.93
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020307486	0	42	-1.0	-42.13	353.68	7.13	-35.00
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020307486	1	42	-1.0	-42.16	353.74	7.14	-35.02
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020307487	0	39	-1.0	-43.04	334.26	6.40	-36.64
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020307487	1	39	-1.0	-43.06	334.32	6.43	-36.63
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(F)F)C1	REAL300020307488	0	46	-1.0	-44.05	374.95	9.00	-35.05
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(F)F)C1	REAL300020307488	1	46	-1.0	-44.03	374.98	8.99	-35.04
C=CC[N@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307489	0	49	0.0	-64.80	381.76	7.77	-57.03
C=CC[N@@H+]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307489	1	49	0.0	-65.57	378.16	8.34	-57.23
C=CCN1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307489	1	48	-1.0	-39.12	381.18	5.88	-33.24
C=CC[N@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307490	0	46	0.0	-63.71	363.92	7.10	-56.61
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307490	1	46	0.0	-62.17	362.98	7.34	-54.83
C=CC[N@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307490	1	46	0.0	-63.73	364.01	7.12	-56.61
C=CC[N@@H+]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307490	1	46	0.0	-62.15	363.05	7.36	-54.79
C=CC[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020307491	0	53	0.0	-70.61	399.51	9.26	-61.35
C=CC[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020307491	1	53	0.0	-70.72	410.38	10.41	-60.31
C=CC[N@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020307491	1	53	0.0	-70.55	399.54	9.25	-61.30
C=CC[N@@H+]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020307491	1	53	0.0	-70.71	410.43	10.40	-60.31
C#CCN1C=C(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=N1	REAL300020307492	0	38	-1.0	-48.74	338.84	7.64	-41.10
C#CCN1C=C(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=N1	REAL300020307492	1	38	-1.0	-48.68	338.79	7.63	-41.05
C#CCN1C=C(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)C=N1	REAL300020307493	0	35	-1.0	-49.81	316.76	7.10	-42.71
C#CCN1C=C(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)C=N1	REAL300020307493	1	35	-1.0	-49.77	316.71	7.09	-42.68
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C=N1	REAL300020307494	0	42	-1.0	-50.30	372.01	9.72	-40.58
C#CCN1C=C(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C=N1	REAL300020307494	1	42	-1.0	-50.32	372.05	9.73	-40.59
C[NH+]1CC23CCCC2(CN(C2=NN=C(CCC4=N[N-]N=N4)N2CCF)C3)C1	REAL300020307495	0	53	0.0	-66.50	391.31	8.12	-58.38
C[NH+]1CC23CCCC2(CN(C2=NN=C(CCC4=NN=N[N-]4)N2CCF)C3)C1	REAL300020307495	1	53	0.0	-66.55	391.36	8.13	-58.42
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=N[N-]N=N4)N2CCF)C3)C1	REAL300020307496	0	50	0.0	-60.92	366.02	7.41	-53.51
C[NH+]1CC23CCCC2(CN(C2=NN=C(CC4=NN=N[N-]4)N2CCF)C3)C1	REAL300020307496	1	50	0.0	-60.93	366.07	7.43	-53.50
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]21	REAL300020307497	0	51	-1.0	-45.94	407.72	5.37	-40.57
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]21	REAL300020307497	1	51	-1.0	-45.93	407.79	5.39	-40.54
CC1CC2(CCCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307498	0	49	-1.0	-39.26	377.17	8.24	-31.02
CC1CC2(CCCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307498	1	49	-1.0	-39.22	377.23	8.26	-30.96
CC1CC2(CCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307499	0	46	-1.0	-42.73	345.72	6.88	-35.85
CC1CC2(CCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307499	1	46	-1.0	-42.70	345.78	6.90	-35.80
CC1CC2(CCCC2)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307500	0	53	-1.0	-40.81	408.41	10.40	-30.41
CC1CC2(CCCC2)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307500	1	53	-1.0	-40.79	408.45	10.39	-30.40
CCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CCOC1	REAL300020307501	0	43	-1.0	-40.65	324.92	4.65	-36.00
CCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CCOC1	REAL300020307501	1	43	-1.0	-40.65	324.98	4.66	-35.99
CCN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CCOC1	REAL300020307502	0	40	-1.0	-42.34	313.70	4.29	-38.05
CCN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CCOC1	REAL300020307502	1	40	-1.0	-42.38	313.75	4.31	-38.07
CCN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CCOC1	REAL300020307503	0	47	-1.0	-42.25	363.08	6.84	-35.41
CCN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CCOC1	REAL300020307503	1	47	-1.0	-42.19	363.11	6.83	-35.36
CC12CCCC1N(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CCC2	REAL300020307504	0	49	-1.0	-39.67	373.62	8.53	-31.14
CC12CCCC1N(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CCC2	REAL300020307504	1	49	-1.0	-39.65	373.68	8.54	-31.11
CC12CCCC1N(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CCC2	REAL300020307505	0	46	-1.0	-41.17	352.46	7.75	-33.42
CC12CCCC1N(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CCC2	REAL300020307505	1	46	-1.0	-41.20	352.52	7.76	-33.44
CC12CCCC1N(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CCF)CCC2	REAL300020307506	0	53	-1.0	-41.58	389.77	9.98	-31.60
CC12CCCC1N(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CCF)CCC2	REAL300020307506	1	53	-1.0	-41.59	389.80	9.97	-31.62
N#CC1(CO)CC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020307507	0	48	-1.0	-46.26	401.85	5.02	-41.24
N#CC1(CO)CC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020307507	1	48	-1.0	-46.27	401.91	5.03	-41.24
N#CC1(CO)CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020307508	0	45	-1.0	-47.19	376.53	4.34	-42.85
N#CC1(CO)CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020307508	1	45	-1.0	-47.17	376.58	4.36	-42.81
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020307509	0	49	-1.0	-40.16	394.08	9.56	-30.60
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020307509	1	49	-1.0	-40.13	394.14	9.58	-30.55
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020307510	0	46	-1.0	-40.83	376.72	9.13	-31.70
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020307510	1	46	-1.0	-40.80	376.76	9.14	-31.66
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307511	0	42	-1.0	-42.44	379.03	6.25	-36.19
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307511	1	42	-1.0	-42.47	379.09	6.26	-36.21
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307512	0	39	-1.0	-45.25	353.31	5.27	-39.98
CN(CC1=NN(C)C=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307512	1	39	-1.0	-45.29	353.36	5.28	-40.01
CCN(CCOCCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307513	0	49	-1.0	-41.01	391.94	4.58	-36.43
CCN(CCOCCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307513	1	49	-1.0	-40.98	391.99	4.59	-36.39
CCN(CCOCCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307514	0	46	-1.0	-42.95	373.15	3.92	-39.03
CCN(CCOCCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307514	1	46	-1.0	-43.00	373.20	3.93	-39.07
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307515	0	47	-1.0	-41.64	394.89	7.33	-34.31
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307515	1	47	-1.0	-41.68	394.95	7.34	-34.34
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307516	0	44	-1.0	-41.94	360.61	6.13	-35.81
C#CCC1(C(=O)OC)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307516	1	44	-1.0	-41.96	360.66	6.15	-35.81
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1C1CCOCC1	REAL300020307517	0	51	-1.0	-47.63	398.95	4.34	-43.29
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1C1CCOCC1	REAL300020307517	1	51	-1.0	-47.63	399.00	4.36	-43.27
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1C1CCOCC1	REAL300020307518	0	48	-1.0	-50.96	373.27	3.61	-47.35
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1C1CCOCC1	REAL300020307518	1	48	-1.0	-50.99	373.32	3.63	-47.36
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307519	0	51	-1.0	-39.02	392.62	6.49	-32.53
CCN(CCOC(C)(C)C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307519	1	51	-1.0	-39.02	392.68	6.50	-32.52
CCN(CCOC(C)(C)C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307520	0	48	-1.0	-40.97	373.92	5.82	-35.15
CCN(CCOC(C)(C)C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307520	1	48	-1.0	-40.99	373.97	5.85	-35.14
O=C1CCC(=O)N1C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307521	0	49	-1.0	-46.08	398.14	6.56	-39.52
O=C1CCC(=O)N1C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307521	1	49	-1.0	-46.07	398.20	6.58	-39.49
O=C1CCC(=O)N1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307522	0	46	-1.0	-48.20	376.35	5.96	-42.24
O=C1CCC(=O)N1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307522	1	46	-1.0	-48.18	376.40	5.98	-42.20
COCCC1(C(=O)OC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307523	0	52	-1.0	-46.85	414.96	6.37	-40.48
COCCC1(C(=O)OC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307523	1	52	-1.0	-46.86	415.02	6.40	-40.46
C=CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307524	0	43	-1.0	-38.76	352.51	7.30	-31.46
C=CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307524	1	43	-1.0	-38.75	352.57	7.32	-31.43
C=CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307525	0	40	-1.0	-40.62	334.79	6.67	-33.95
C=CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307525	1	40	-1.0	-40.57	334.73	6.65	-33.92
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307526	0	47	-1.0	-41.27	373.60	9.48	-31.79
C=CC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307526	1	47	-1.0	-41.27	373.63	9.48	-31.79
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020307527	0	51	-1.0	-39.11	398.22	7.45	-31.66
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020307527	1	51	-1.0	-39.06	398.28	7.47	-31.59
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020307528	0	48	-1.0	-39.98	376.01	6.86	-33.12
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020307528	1	48	-1.0	-39.94	376.07	6.87	-33.07
CC1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C)O1	REAL300020307529	0	49	-1.0	-39.64	364.54	6.23	-33.41
CC1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C)O1	REAL300020307529	1	49	-1.0	-39.63	364.60	6.25	-33.38
CC1CC(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C)O1	REAL300020307530	0	46	-1.0	-41.04	353.20	5.64	-35.40
CC1CC(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C)O1	REAL300020307530	1	46	-1.0	-41.01	353.25	5.67	-35.34
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2(CC2)N1	REAL300020307531	0	41	-1.0	-41.15	351.26	3.65	-37.50
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2(CC2)N1	REAL300020307531	1	41	-1.0	-41.21	351.32	3.66	-37.55
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2(CC2)N1	REAL300020307532	0	38	-1.0	-41.87	323.70	2.99	-38.88
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2(CC2)N1	REAL300020307532	1	38	-1.0	-41.81	323.65	2.96	-38.85
O=C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC2(CC2)N1	REAL300020307533	0	45	-1.0	-43.12	368.73	5.69	-37.43
O=C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC2(CC2)N1	REAL300020307533	1	45	-1.0	-43.04	368.76	5.68	-37.36
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1C1CC1	REAL300020307534	0	48	-1.0	-38.91	376.45	5.72	-33.19
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@@H+]1C1CC1	REAL300020307534	1	49	0.0	-61.73	375.49	7.92	-53.81
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[N@H+]1C1CC1	REAL300020307534	1	49	0.0	-60.89	384.47	8.16	-52.73
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1C1CC1	REAL300020307534	1	48	-1.0	-38.85	376.51	5.73	-33.12
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@@H+]1C1CC1	REAL300020307535	0	46	0.0	-58.57	362.90	7.35	-51.22
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[N@H+]1C1CC1	REAL300020307535	1	46	0.0	-59.15	362.92	7.35	-51.80
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@@H+]1C1CC1	REAL300020307535	1	46	0.0	-58.56	362.96	7.38	-51.18
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[N@H+]1C1CC1	REAL300020307535	1	46	0.0	-59.12	362.97	7.38	-51.74
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1C1CC1	REAL300020307535	1	45	-1.0	-40.57	358.38	5.04	-35.53
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1C1CC1	REAL300020307535	1	45	-1.0	-40.57	358.44	5.06	-35.51
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC[N@@H+]1C1CC1	REAL300020307536	0	53	0.0	-65.70	417.18	10.14	-55.56
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC[N@H+]1C1CC1	REAL300020307536	1	53	0.0	-65.70	412.74	10.14	-55.56
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCN1C1CC1	REAL300020307536	1	52	-1.0	-40.28	408.40	7.82	-32.46
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCN1C1CC1	REAL300020307536	1	52	-1.0	-40.20	408.46	7.80	-32.40
CC1(C)CC2(CO1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CCO2	REAL300020307537	0	51	-1.0	-40.25	391.16	4.86	-35.39
CC1(C)CC2(CO1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CCO2	REAL300020307537	1	51	-1.0	-40.28	391.22	4.87	-35.41
CC1(C)CC2(CO1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CCO2	REAL300020307538	0	48	-1.0	-41.89	381.24	4.66	-37.23
CC1(C)CC2(CO1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CCO2	REAL300020307538	1	48	-1.0	-41.92	381.30	4.69	-37.23
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020307539	0	51	-1.0	-40.97	407.90	8.70	-32.27
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020307539	1	51	-1.0	-40.92	407.96	8.71	-32.21
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020307540	0	48	-1.0	-42.32	386.31	7.94	-34.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020307540	1	48	-1.0	-42.36	386.37	7.96	-34.40
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020307541	0	46	-1.0	-41.23	384.93	9.76	-31.47
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020307541	1	46	-1.0	-41.25	384.98	9.78	-31.47
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020307542	0	43	-1.0	-41.13	368.24	9.13	-32.00
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020307542	1	43	-1.0	-41.15	368.30	9.15	-32.00
COC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020307543	0	50	-1.0	-46.48	400.23	9.01	-37.47
COC1=CC=C(C)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020307543	1	50	-1.0	-46.50	400.28	9.04	-37.46
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307544	0	42	-1.0	-39.39	356.56	7.32	-32.07
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307544	1	42	-1.0	-39.41	356.61	7.33	-32.08
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307545	0	39	-1.0	-40.09	336.66	6.36	-33.73
C[C@@H]1C[C@H](C(F)(F)F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307545	1	39	-1.0	-40.07	336.71	6.37	-33.70
CC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCC1(F)F	REAL300020307546	0	45	-1.0	-40.66	355.84	8.06	-32.60
CC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCC1(F)F	REAL300020307546	1	45	-1.0	-40.63	355.90	8.08	-32.55
CC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC1(F)F	REAL300020307547	0	42	-1.0	-41.08	327.27	5.99	-35.09
CC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC1(F)F	REAL300020307547	1	42	-1.0	-41.10	327.32	6.01	-35.09
CC1CC(C2CCCCC2)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307548	0	55	-1.0	-39.95	413.24	9.65	-30.30
CC1CC(C2CCCCC2)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307548	1	55	-1.0	-39.89	413.30	9.66	-30.23
CC1CC(C2CCCCC2)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307549	0	52	-1.0	-41.58	386.24	8.96	-32.62
CC1CC(C2CCCCC2)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307549	1	52	-1.0	-41.56	386.29	8.99	-32.57
FCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020307550	0	43	-1.0	-47.20	382.45	10.56	-36.64
FCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020307550	1	43	-1.0	-47.24	382.39	10.53	-36.71
CC1N(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCC1(F)F	REAL300020307551	0	39	-1.0	-39.87	321.39	6.01	-33.86
CC1N(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCC1(F)F	REAL300020307551	1	39	-1.0	-39.87	321.44	6.02	-33.85
CC1N(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC1(F)F	REAL300020307552	0	36	-1.0	-42.87	304.72	5.60	-37.27
CC1N(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC1(F)F	REAL300020307552	1	36	-1.0	-42.89	304.81	5.62	-37.27
CC1N(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCC1(F)F	REAL300020307553	0	43	-1.0	-42.00	353.83	8.10	-33.90
CC1N(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCC1(F)F	REAL300020307553	1	43	-1.0	-41.97	353.85	8.10	-33.87
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020307554	0	43	-1.0	-40.31	358.74	7.97	-32.34
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020307554	1	43	-1.0	-40.32	358.80	8.00	-32.32
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307555	0	49	-1.0	-40.29	409.92	10.20	-30.09
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307555	1	49	-1.0	-40.28	409.97	10.22	-30.06
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307556	0	46	-1.0	-44.70	382.93	8.56	-36.14
C=CCN(CCC1=CC=CC=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307556	1	46	-1.0	-44.70	382.88	8.53	-36.17
CN1N=C(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1C1=CC=C(F)C=C1	REAL300020307557	0	43	-1.0	-45.44	373.89	9.87	-35.57
CN1N=C(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1C1=CC=C(F)C=C1	REAL300020307557	1	43	-1.0	-45.42	373.82	9.84	-35.58
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020307558	0	54	-1.0	-37.66	401.05	8.50	-29.16
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020307558	1	54	-1.0	-37.68	401.11	8.51	-29.17
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020307559	0	51	-1.0	-39.80	383.79	7.83	-31.97
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020307559	1	51	-1.0	-39.80	383.85	7.86	-31.94
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020307560	0	46	-1.0	-39.44	362.60	8.05	-31.39
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020307560	1	46	-1.0	-39.42	362.66	8.06	-31.36
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020307561	0	43	-1.0	-40.74	345.21	7.37	-33.37
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020307561	1	43	-1.0	-40.71	345.27	7.39	-33.32
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020307562	0	50	-1.0	-41.13	383.66	10.01	-31.12
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020307562	1	50	-1.0	-41.15	383.69	10.00	-31.15
CCC1COCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307563	0	46	-1.0	-38.92	357.59	6.40	-32.52
CCC1COCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307563	1	46	-1.0	-38.92	357.65	6.42	-32.50
CCC1COCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307564	0	43	-1.0	-42.52	344.10	5.02	-37.50
CCC1COCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307564	1	43	-1.0	-42.54	344.16	5.04	-37.50
CCC1COCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307565	0	50	-1.0	-40.72	392.53	7.73	-32.99
CCC1COCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307565	1	50	-1.0	-40.70	392.56	7.72	-32.98
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020307566	0	55	-1.0	-39.29	393.02	9.90	-29.39
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020307566	1	55	-1.0	-39.27	393.08	9.91	-29.36
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020307567	0	52	-1.0	-40.66	376.35	9.26	-31.40
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020307567	1	52	-1.0	-40.67	376.41	9.29	-31.38
CS(=O)(=O)C1CCCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307568	0	48	-1.0	-55.32	370.24	4.92	-50.40
CS(=O)(=O)C1CCCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307568	1	48	-1.0	-55.30	370.30	4.94	-50.36
CC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307569	0	43	-1.0	-39.66	349.11	5.58	-34.08
CC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307569	1	43	-1.0	-39.66	349.17	5.59	-34.07
CC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307570	0	40	-1.0	-41.06	334.04	4.67	-36.39
CC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307570	1	40	-1.0	-41.05	334.10	4.69	-36.36
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020307571	0	47	-1.0	-41.40	372.48	7.50	-33.90
CC[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020307571	1	47	-1.0	-41.42	372.51	7.49	-33.93
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020307572	0	46	-1.0	-41.77	388.62	9.83	-31.94
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020307572	1	46	-1.0	-41.78	388.68	9.85	-31.93
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020307573	0	43	-1.0	-41.55	354.01	7.52	-34.03
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020307573	1	43	-1.0	-41.54	354.06	7.54	-34.00
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020307574	0	50	-1.0	-39.05	384.93	9.54	-29.51
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020307574	1	50	-1.0	-39.08	384.99	9.55	-29.53
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020307575	0	47	-1.0	-41.75	358.66	8.67	-33.08
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020307575	1	47	-1.0	-41.73	358.72	8.68	-33.05
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307576	0	50	-1.0	-48.23	412.70	8.76	-39.47
C#CCC1(C(=O)OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307576	1	50	-1.0	-48.21	412.75	8.78	-39.43
CS(=O)(=O)N[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307577	0	47	-1.0	-46.29	394.87	2.15	-44.14
CS(=O)(=O)N[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307577	1	47	-1.0	-46.31	394.93	2.16	-44.15
CS(=O)(=O)N[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307578	0	44	-1.0	-47.27	372.92	1.54	-45.73
CS(=O)(=O)N[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307578	1	44	-1.0	-47.23	372.98	1.56	-45.67
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307579	0	45	-1.0	-41.76	374.19	8.79	-32.97
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307579	1	45	-1.0	-41.77	374.25	8.80	-32.97
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307580	0	42	-1.0	-41.65	351.58	8.32	-33.33
CN(CCC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307580	1	42	-1.0	-41.65	351.63	8.34	-33.31
O=C1NCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C1O	REAL300020307581	0	48	-1.0	-43.19	384.66	0.81	-42.38
O=C1NCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C1O	REAL300020307581	1	48	-1.0	-43.24	384.72	0.82	-42.42
O=C1NCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C1O	REAL300020307582	0	45	-1.0	-44.36	366.89	0.15	-44.21
O=C1NCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C1O	REAL300020307582	1	45	-1.0	-44.34	366.95	0.17	-44.17
C[C@@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307583	0	40	-1.0	-38.83	337.14	5.76	-33.07
C[C@@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307583	1	40	-1.0	-38.81	337.20	5.78	-33.03
C[C@@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307584	0	37	-1.0	-40.26	315.63	4.98	-35.28
C[C@@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307584	1	37	-1.0	-40.25	315.70	5.01	-35.24
C[C@@H]1CSCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307585	0	44	-1.0	-40.56	365.21	7.70	-32.86
C[C@@H]1CSCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307585	1	44	-1.0	-40.53	365.24	7.68	-32.85
COC(=O)[C@H]1C[C@@H](C(C)(C)C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307586	0	54	-1.0	-42.21	420.64	8.15	-34.06
COC(=O)[C@H]1C[C@@H](C(C)(C)C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307586	1	54	-1.0	-42.18	420.69	8.18	-34.00
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307587	0	50	-1.0	-46.76	406.24	8.46	-38.30
C=CCCC1(C#N)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307587	1	50	-1.0	-46.76	406.30	8.47	-38.29
C=CCCC1(C#N)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307588	0	47	-1.0	-48.93	388.47	7.81	-41.12
C=CCCC1(C#N)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307588	1	47	-1.0	-48.91	388.53	7.83	-41.08
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307589	0	49	-1.0	-40.26	399.60	9.19	-31.07
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307589	1	49	-1.0	-40.24	399.66	9.20	-31.04
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307590	0	46	-1.0	-42.54	378.21	8.54	-34.00
C=CCN(CC1=CC=C(C)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307590	1	46	-1.0	-42.48	378.15	8.52	-33.96
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020307591	0	52	-1.0	-39.29	382.33	9.63	-29.66
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020307591	1	52	-1.0	-39.30	382.38	9.65	-29.65
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020307592	0	49	-1.0	-42.31	363.20	8.92	-33.39
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020307592	1	49	-1.0	-42.37	363.25	8.94	-33.43
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307593	0	46	-1.0	-40.29	384.60	8.58	-31.71
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307593	1	46	-1.0	-40.24	384.66	8.59	-31.65
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307594	0	43	-1.0	-41.72	363.21	7.94	-33.78
C=CCN(CC1=CC=C(F)C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307594	1	43	-1.0	-41.69	363.14	7.91	-33.78
CN(CC1=NC2=C(C=NN2C)C(=O)N1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307595	0	44	-1.0	-45.66	378.40	5.02	-40.64
CN(CC1=NC2=C(C=NN2C)C(=O)N1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307595	1	44	-1.0	-45.65	378.46	5.04	-40.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020307596	0	44	-1.0	-42.76	364.41	4.80	-37.96
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020307596	1	44	-1.0	-42.74	364.47	4.81	-37.93
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020307597	0	41	-1.0	-45.51	346.56	4.13	-41.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020307597	1	41	-1.0	-45.51	346.62	4.16	-41.35
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020307598	0	49	-1.0	-39.34	363.31	8.17	-31.17
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020307598	1	49	-1.0	-39.33	363.37	8.18	-31.15
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020307599	0	46	-1.0	-40.38	349.77	7.32	-33.06
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020307599	1	46	-1.0	-40.41	349.82	7.32	-33.09
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCCCC2C1	REAL300020307600	0	53	-1.0	-40.44	396.40	10.27	-30.17
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCCCC2C1	REAL300020307600	1	53	-1.0	-40.45	396.43	10.26	-30.19
CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307601	0	44	-1.0	-49.49	373.97	1.60	-47.89
CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307601	1	44	-1.0	-49.50	374.03	1.62	-47.88
CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307602	0	41	-1.0	-51.23	358.02	0.58	-50.65
CS(=O)(=O)N[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307602	1	41	-1.0	-51.28	358.08	0.60	-50.68
N#CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307603	0	50	-1.0	-46.89	417.52	9.78	-37.11
N#CC(C1=CC=CC=C1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307603	1	50	-1.0	-46.90	417.58	9.80	-37.10
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020307604	0	42	-1.0	-39.93	364.83	7.23	-32.70
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020307604	1	42	-1.0	-39.92	364.89	7.24	-32.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020307605	0	39	-1.0	-41.26	343.36	6.44	-34.82
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020307605	1	39	-1.0	-41.22	343.42	6.47	-34.75
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020307606	0	42	-1.0	-41.50	363.92	7.07	-34.43
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020307606	1	42	-1.0	-41.54	363.98	7.09	-34.45
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020307607	0	39	-1.0	-41.36	346.14	6.42	-34.94
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020307607	1	39	-1.0	-41.38	346.19	6.44	-34.94
FCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020307608	0	41	-1.0	-43.69	348.74	6.61	-37.08
FCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020307608	1	41	-1.0	-43.68	348.80	6.62	-37.06
FCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020307609	0	38	-1.0	-45.09	321.83	5.95	-39.14
FCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020307609	1	38	-1.0	-45.05	321.78	5.92	-39.13
FCCN1C(NC2=NN3CCOCC3=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020307610	0	45	-1.0	-45.45	377.12	8.58	-36.87
FCCN1C(NC2=NN3CCOCC3=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020307610	1	45	-1.0	-45.42	377.16	8.57	-36.85
OC1=CC=CC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CCO2	REAL300020307611	0	45	-1.0	-42.18	377.61	4.48	-37.70
OC1=CC=CC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CCO2	REAL300020307611	1	45	-1.0	-42.16	377.67	4.49	-37.67
OC1=CC=CC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CCO2	REAL300020307612	0	42	-1.0	-42.89	357.10	3.63	-39.26
OC1=CC=CC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CCO2	REAL300020307612	1	42	-1.0	-42.95	357.04	3.61	-39.34
OCCOCCN1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307613	0	52	-1.0	-43.14	420.44	1.42	-41.72
OCCOCCN1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307613	1	52	-1.0	-43.08	420.50	1.44	-41.64
OCCOCC[NH+]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307613	1	53	0.0	-67.02	421.29	3.73	-63.29
OCCOCCN1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307614	0	49	-1.0	-44.91	402.39	0.74	-44.17
OCCOCCN1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307614	1	49	-1.0	-44.92	402.44	0.77	-44.15
OCCOCC[NH+]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307614	1	50	0.0	-64.48	399.30	3.13	-61.35
CC1(CO)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307615	0	46	-1.0	-40.43	362.71	3.85	-36.58
CC1(CO)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307615	1	46	-1.0	-40.44	362.77	3.87	-36.57
CC1(CO)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307616	0	43	-1.0	-43.77	341.18	3.30	-40.47
CC1(CO)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307616	1	43	-1.0	-43.80	341.24	3.32	-40.48
CC1(CO)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020307617	0	50	-1.0	-41.94	392.60	6.18	-35.76
CC1(CO)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020307617	1	50	-1.0	-41.96	392.65	6.17	-35.79
N#CC12CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC1CCCCC2	REAL300020307618	0	50	-1.0	-47.68	384.50	8.22	-39.46
N#CC12CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC1CCCCC2	REAL300020307618	1	50	-1.0	-47.71	384.55	8.23	-39.48
N#CC12CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC1CCCCC2	REAL300020307619	0	47	-1.0	-44.35	349.85	7.06	-37.29
N#CC12CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC1CCCCC2	REAL300020307619	1	47	-1.0	-44.40	349.91	7.08	-37.32
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307620	0	46	-1.0	-45.29	368.38	3.10	-42.19
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307620	1	46	-1.0	-45.35	368.44	3.11	-42.24
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307621	0	43	-1.0	-48.58	352.40	2.48	-46.10
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307621	1	43	-1.0	-48.58	352.45	2.50	-46.08
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307622	0	50	-1.0	-46.26	396.61	5.10	-41.16
C[C@@H]1CC[C@H](C(N)=O)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307622	1	50	-1.0	-46.17	396.62	5.09	-41.08
CC1(C2=CC=C(Cl)C=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307623	0	46	-1.0	-41.17	391.24	9.07	-32.10
CC1(C2=CC=C(Cl)C=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307623	1	46	-1.0	-41.18	391.30	9.09	-32.09
CN(CC1CCCO1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307624	0	43	-1.0	-41.16	349.55	5.42	-35.74
CN(CC1CCCO1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307624	1	43	-1.0	-41.14	349.60	5.43	-35.71
CN(CC1CCCO1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307625	0	40	-1.0	-41.42	330.21	4.60	-36.82
CN(CC1CCCO1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307625	1	40	-1.0	-41.43	330.26	4.62	-36.81
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307626	0	47	-1.0	-41.93	379.96	7.44	-34.49
CN(CC1CCCO1)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307626	1	47	-1.0	-41.91	380.00	7.43	-34.48
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307627	0	41	-1.0	-41.37	342.51	6.61	-34.76
C#C[C@@]1(C)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307627	1	41	-1.0	-41.41	342.56	6.62	-34.79
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307628	0	38	-1.0	-42.99	309.22	6.22	-36.77
C#C[C@@]1(C)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307628	1	38	-1.0	-42.99	309.17	6.21	-36.78
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307629	0	45	-1.0	-42.97	367.06	9.02	-33.95
C#C[C@@]1(C)CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307629	1	45	-1.0	-42.97	367.10	9.01	-33.96
CC1=CC=C(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCO2)S1	REAL300020307630	0	47	-1.0	-41.27	406.38	7.55	-33.72
CC1=CC=C(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCO2)S1	REAL300020307630	1	47	-1.0	-41.30	406.44	7.57	-33.73
CC1=CC=C(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCO2)S1	REAL300020307631	0	44	-1.0	-43.04	369.99	6.31	-36.73
CC1=CC=C(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCO2)S1	REAL300020307631	1	44	-1.0	-43.06	370.04	6.33	-36.73
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307632	0	45	-1.0	-41.77	392.26	8.87	-32.90
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307632	1	45	-1.0	-41.76	392.31	8.89	-32.87
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307633	0	42	-1.0	-43.31	370.70	8.10	-35.21
CN(CCC1=CC=C(F)C=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307633	1	42	-1.0	-43.32	370.75	8.13	-35.19
CNC(=O)C1CC(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307634	0	49	-1.0	-42.18	387.18	5.15	-37.03
CNC(=O)C1CC(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307634	1	49	-1.0	-42.22	387.24	5.16	-37.06
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307635	0	46	-1.0	-40.73	364.50	4.60	-36.13
CNC(=O)C1CC(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307635	1	46	-1.0	-40.75	364.54	4.62	-36.13
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1S(C)(=O)=O	REAL300020307636	0	47	-1.0	-48.53	387.21	3.60	-44.93
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1S(C)(=O)=O	REAL300020307636	1	47	-1.0	-48.53	387.27	3.62	-44.91
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1S(C)(=O)=O	REAL300020307637	0	44	-1.0	-49.80	361.62	2.71	-47.09
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1S(C)(=O)=O	REAL300020307637	1	44	-1.0	-49.79	361.68	2.74	-47.05
CN(CC1=NC=C(Cl)C=C1Cl)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307638	0	38	-1.0	-40.91	356.89	6.04	-34.87
CN(CC1=NC=C(Cl)C=C1Cl)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307638	1	38	-1.0	-40.94	356.95	6.07	-34.87
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307639	0	46	-1.0	-39.50	387.72	8.54	-30.96
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307639	1	46	-1.0	-39.51	387.78	8.56	-30.95
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307640	0	43	-1.0	-41.30	367.39	7.83	-33.47
C=CCN(CC1=CC=CC(F)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307640	1	43	-1.0	-41.33	367.33	7.80	-33.53
CC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(CCO)O1	REAL300020307641	0	50	-1.0	-41.21	403.44	3.88	-37.33
CC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(CCO)O1	REAL300020307641	1	50	-1.0	-41.24	403.49	3.89	-37.35
CC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(CCO)O1	REAL300020307642	0	47	-1.0	-42.29	367.69	2.43	-39.86
CC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(CCO)O1	REAL300020307642	1	47	-1.0	-42.29	367.75	2.46	-39.83
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020307643	0	51	0.0	-61.70	410.46	6.73	-54.97
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020307643	1	51	0.0	-61.70	410.38	6.72	-54.98
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020307644	0	48	0.0	-60.90	388.57	6.13	-54.77
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020307644	1	48	0.0	-60.93	388.51	6.12	-54.81
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020307645	0	46	-1.0	-40.45	365.67	8.64	-31.81
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020307645	1	46	-1.0	-40.46	365.73	8.65	-31.81
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020307646	0	43	-1.0	-41.81	343.57	8.10	-33.71
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020307646	1	43	-1.0	-41.87	343.63	8.13	-33.74
OC1=CC=C(C2CCCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020307647	0	50	-1.0	-42.01	409.94	7.05	-34.96
OC1=CC=C(C2CCCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020307647	1	50	-1.0	-42.01	410.00	7.07	-34.94
OC1=CC=C(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C=C1	REAL300020307648	0	47	-1.0	-43.50	388.44	6.26	-37.24
OC1=CC=C(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C=C1	REAL300020307648	1	47	-1.0	-43.53	388.49	6.28	-37.25
CC(C)(CO)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307649	0	52	-1.0	-40.38	396.55	5.16	-35.22
CC(C)(CO)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307649	1	52	-1.0	-40.39	396.61	5.17	-35.22
CC(C)(CO)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307650	0	49	-1.0	-41.94	379.34	4.30	-37.64
CC(C)(CO)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307650	1	49	-1.0	-41.96	379.40	4.33	-37.63
OC(C1=CC=CC=C1)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307651	0	50	-1.0	-44.18	407.02	6.60	-37.58
OC(C1=CC=CC=C1)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307651	1	50	-1.0	-44.24	407.08	6.63	-37.61
OC1(C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCO2)CC1	REAL300020307652	0	45	-1.0	-43.04	372.32	2.94	-40.10
OC1(C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCO2)CC1	REAL300020307652	1	45	-1.0	-43.05	372.38	2.96	-40.09
OC1(C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCO2)CC1	REAL300020307653	0	42	-1.0	-42.56	349.39	2.33	-40.23
OC1(C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCO2)CC1	REAL300020307653	1	42	-1.0	-42.56	349.45	2.36	-40.20
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CCC4=N[N-]N=N4)N2CCF)C3)C=C1	REAL300020307654	0	50	-1.0	-39.94	409.29	10.31	-29.63
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CCC4=NN=N[N-]4)N2CCF)C3)C=C1	REAL300020307654	1	50	-1.0	-39.88	409.35	10.33	-29.55
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CC4=N[N-]N=N4)N2CCF)C3)C=C1	REAL300020307655	0	47	-1.0	-41.52	376.42	9.70	-31.82
CC1=CC=C([C@]23C[C@H]2CN(C2=NN=C(CC4=NN=N[N-]4)N2CCF)C3)C=C1	REAL300020307655	1	47	-1.0	-41.52	376.51	9.71	-31.81
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020307656	0	46	-1.0	-41.80	385.49	9.10	-32.70
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020307656	1	46	-1.0	-41.80	385.55	9.11	-32.69
CC(C)(C)OC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307657	0	52	-1.0	-46.96	414.32	7.22	-39.74
CC(C)(C)OC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307657	1	52	-1.0	-46.99	414.37	7.25	-39.74
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020307658	0	40	-1.0	-41.08	336.44	7.05	-34.03
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020307658	1	40	-1.0	-41.11	336.49	7.06	-34.05
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020307659	0	37	-1.0	-39.93	311.44	6.20	-33.73
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020307659	1	37	-1.0	-39.96	311.50	6.23	-33.73
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020307660	0	44	-1.0	-42.78	365.40	8.80	-33.98
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020307660	1	44	-1.0	-42.68	365.41	8.78	-33.90
COC12CC(C1)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307661	0	44	-1.0	-39.31	353.27	5.85	-33.46
COC12CC(C1)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307661	1	44	-1.0	-39.34	353.33	5.86	-33.48
COC12CC(C1)CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307662	0	41	-1.0	-40.61	335.43	5.23	-35.38
COC12CC(C1)CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307662	1	41	-1.0	-40.58	335.48	5.25	-35.33
COC12CC(C1)CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CCF)C2	REAL300020307663	0	48	-1.0	-41.24	384.74	8.15	-33.09
COC12CC(C1)CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CCF)C2	REAL300020307663	1	48	-1.0	-41.16	384.78	8.14	-33.02
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020307664	0	48	-1.0	-50.70	384.98	3.88	-46.82
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020307664	1	48	-1.0	-50.73	385.04	3.90	-46.83
CC1NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020307665	0	45	-1.0	-52.27	363.50	3.10	-49.17
CC1NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020307665	1	45	-1.0	-52.34	363.55	3.13	-49.21
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020307666	0	52	-1.0	-39.42	379.52	8.77	-30.65
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020307666	1	52	-1.0	-39.45	379.58	8.78	-30.67
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020307667	0	49	-1.0	-41.18	357.43	8.23	-32.95
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020307667	1	49	-1.0	-41.18	357.48	8.25	-32.93
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020307668	0	47	-1.0	-40.39	368.02	7.86	-32.53
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020307668	1	47	-1.0	-40.42	368.08	7.88	-32.54
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020307669	0	44	-1.0	-40.81	340.98	7.17	-33.64
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020307669	1	44	-1.0	-40.79	341.04	7.20	-33.59
CCCCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307670	0	57	-1.0	-38.71	447.02	10.83	-27.88
CCCCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307670	1	57	-1.0	-38.75	447.07	10.84	-27.91
CCCCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307671	0	54	-1.0	-41.76	422.58	9.96	-31.80
CCCCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307671	1	54	-1.0	-41.82	422.64	9.99	-31.83
CCCCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307672	0	51	-1.0	-38.77	404.02	9.27	-29.50
CCCCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307672	1	51	-1.0	-38.78	404.08	9.28	-29.50
CCCCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307673	0	48	-1.0	-41.81	379.59	8.40	-33.41
CCCCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307673	1	48	-1.0	-41.83	379.64	8.43	-33.40
CCCCC1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307674	0	55	-1.0	-40.30	431.01	11.27	-29.03
CCCCC1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307674	1	55	-1.0	-40.27	431.09	11.26	-29.01
COC(=O)C(C)(C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307675	0	54	-1.0	-41.57	419.58	8.18	-33.39
COC(=O)C(C)(C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307675	1	54	-1.0	-41.57	419.64	8.19	-33.38
COC(=O)C(C)(C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307676	0	51	-1.0	-45.52	398.64	7.63	-37.89
COC(=O)C(C)(C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307676	1	51	-1.0	-45.54	398.70	7.65	-37.89
O=C1CCCC(=O)N1C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307677	0	49	-1.0	-48.22	394.29	6.51	-41.71
O=C1CCCC(=O)N1C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307677	1	49	-1.0	-48.15	394.35	6.54	-41.61
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020307678	0	48	-1.0	-39.36	385.13	7.26	-32.10
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020307678	1	48	-1.0	-39.33	385.19	7.28	-32.05
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020307679	0	45	-1.0	-42.34	363.76	6.48	-35.86
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020307679	1	45	-1.0	-42.38	363.82	6.50	-35.88
CC1(C)NC(=O)C2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)O1	REAL300020307680	0	51	-1.0	-42.70	407.21	3.02	-39.68
CC1(C)NC(=O)C2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)O1	REAL300020307680	1	51	-1.0	-42.66	407.26	3.03	-39.63
CC1(C)NC(=O)C2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)O1	REAL300020307681	0	48	-1.0	-44.08	388.16	2.32	-41.76
CC1(C)NC(=O)C2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)O1	REAL300020307681	1	48	-1.0	-44.08	388.21	2.35	-41.73
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020307682	0	47	-1.0	-41.39	375.87	6.75	-34.64
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020307682	1	47	-1.0	-41.45	375.93	6.77	-34.68
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020307683	0	44	-1.0	-40.56	362.03	6.45	-34.11
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020307683	1	44	-1.0	-40.56	362.09	6.47	-34.09
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020307684	0	51	-1.0	-41.72	407.56	8.99	-32.73
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020307684	1	51	-1.0	-41.75	407.58	8.98	-32.77
O=P1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307685	0	46	-1.0	-46.36	395.56	6.89	-39.47
O=P1(C2=CC=CC=C2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307685	1	46	-1.0	-46.41	395.61	6.91	-39.50
CCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307686	0	42	-1.0	-41.31	339.81	6.77	-34.54
CCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307686	1	42	-1.0	-41.31	339.87	6.79	-34.52
CCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307687	0	39	-1.0	-45.59	321.52	6.23	-39.36
CCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307687	1	39	-1.0	-45.58	321.57	6.25	-39.33
CCC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307688	0	46	-1.0	-42.83	371.09	8.92	-33.91
CCC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307688	1	46	-1.0	-42.78	371.12	8.92	-33.86
CCOC1(OCC)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307689	0	53	-1.0	-39.61	420.11	7.09	-32.52
CCOC1(OCC)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307689	1	53	-1.0	-39.62	420.16	7.10	-32.52
CCOC1(OCC)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307690	0	50	-1.0	-42.33	388.11	6.35	-35.98
CCOC1(OCC)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307690	1	50	-1.0	-42.30	388.16	6.37	-35.93
COC(=O)C1(C2=CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)CCC1	REAL300020307691	0	50	-1.0	-42.98	402.49	7.86	-35.12
COC(=O)C1(C2=CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)CCC1	REAL300020307691	1	50	-1.0	-42.98	402.54	7.88	-35.10
COC(=O)C1(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)CCC1	REAL300020307692	0	52	-1.0	-43.20	407.27	8.56	-34.64
COC(=O)C1(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)CCC1	REAL300020307692	1	52	-1.0	-43.22	407.32	8.58	-34.64
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020307693	0	40	-1.0	-39.86	328.92	6.82	-33.04
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020307693	1	40	-1.0	-39.89	328.98	6.84	-33.05
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020307694	0	37	-1.0	-42.76	302.69	6.01	-36.75
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020307694	1	37	-1.0	-42.78	302.75	6.03	-36.75
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020307695	0	44	-1.0	-41.56	362.01	8.94	-32.62
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020307695	1	44	-1.0	-41.51	362.05	8.94	-32.57
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020307696	0	44	-1.0	-39.65	355.14	5.32	-34.33
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020307696	1	44	-1.0	-39.66	355.20	5.34	-34.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020307697	0	41	-1.0	-42.03	337.35	4.66	-37.37
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020307697	1	41	-1.0	-42.05	337.41	4.69	-37.36
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020307698	0	48	-1.0	-42.79	381.25	7.61	-35.18
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020307698	1	48	-1.0	-42.73	381.29	7.60	-35.13
COC(=O)C1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307699	0	46	-1.0	-43.24	384.50	5.87	-37.37
COC(=O)C1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307699	1	46	-1.0	-43.24	384.56	5.89	-37.35
COC(=O)C1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307700	0	43	-1.0	-43.74	363.00	5.09	-38.65
COC(=O)C1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307700	1	43	-1.0	-43.74	363.06	5.11	-38.63
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307701	0	52	-1.0	-40.81	405.84	7.42	-33.39
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307701	1	52	-1.0	-40.84	405.90	7.43	-33.41
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307702	0	49	-1.0	-43.59	384.36	6.64	-36.95
CC(C)(C)O[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307702	1	49	-1.0	-43.60	384.41	6.66	-36.94
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307703	0	52	-1.0	-40.51	407.47	7.51	-33.00
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307703	1	52	-1.0	-40.55	407.53	7.52	-33.03
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307704	0	49	-1.0	-43.05	383.34	6.82	-36.23
CC(C)(C)O[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307704	1	49	-1.0	-43.07	383.40	6.83	-36.24
COC(=O)C(C)(C)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307705	0	52	-1.0	-41.08	413.23	7.57	-33.51
COC(=O)C(C)(C)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307705	1	52	-1.0	-41.10	413.29	7.58	-33.52
COC(=O)C(C)(C)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307706	0	49	-1.0	-45.02	399.15	7.61	-37.41
COC(=O)C(C)(C)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307706	1	49	-1.0	-45.07	399.21	7.65	-37.42
COC(=O)C12CC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307707	0	43	-1.0	-42.45	359.17	6.92	-35.53
COC(=O)C12CC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307707	1	43	-1.0	-42.45	359.22	6.93	-35.52
COC(=O)C12CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307708	0	40	-1.0	-42.61	342.48	6.28	-36.33
COC(=O)C12CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307708	1	40	-1.0	-42.58	342.53	6.31	-36.27
COC(=O)C12CC1CN(C1=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N1CCF)C2	REAL300020307709	0	47	-1.0	-44.02	389.16	8.87	-35.15
COC(=O)C12CC1CN(C1=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N1CCF)C2	REAL300020307709	1	47	-1.0	-44.00	389.19	8.86	-35.14
CCC1=CC=C(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020307710	0	45	-1.0	-41.41	370.80	9.62	-31.79
CCC1=CC=C(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020307710	1	45	-1.0	-41.41	370.85	9.64	-31.77
CCC1=CC=C(N(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020307711	0	42	-1.0	-46.50	356.60	9.11	-37.39
CCC1=CC=C(N(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020307711	1	42	-1.0	-46.53	356.54	9.08	-37.45
CCC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C=C1	REAL300020307712	0	49	-1.0	-42.64	405.92	11.79	-30.85
CCC1=CC=C(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C=C1	REAL300020307712	1	49	-1.0	-42.58	405.96	11.78	-30.80
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1=CC=C2OCCOC2=C1	REAL300020307713	0	45	-1.0	-44.05	359.44	8.48	-35.57
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1=CC=C2OCCOC2=C1	REAL300020307713	1	45	-1.0	-44.11	359.49	8.50	-35.61
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1=CC=C2OCCOC2=C1	REAL300020307714	0	42	-1.0	-47.10	358.28	6.81	-40.29
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1=CC=C2OCCOC2=C1	REAL300020307714	1	42	-1.0	-47.10	358.23	6.78	-40.32
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307715	0	47	-1.0	-43.66	401.65	9.54	-34.12
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307715	1	47	-1.0	-43.61	401.71	9.56	-34.05
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307716	0	44	-1.0	-46.41	383.20	8.71	-37.70
C#CC(CC1=CC=C(F)C=C1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307716	1	44	-1.0	-46.41	383.25	8.74	-37.67
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307717	0	44	-1.0	-43.83	393.27	8.43	-35.40
C#CC(CC1=CC=C(F)C=C1F)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307717	1	44	-1.0	-43.88	393.34	8.47	-35.41
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020307718	0	51	-1.0	-40.52	412.38	8.42	-32.10
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020307718	1	51	-1.0	-40.58	412.44	8.44	-32.14
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020307719	0	48	-1.0	-44.79	390.90	7.86	-36.93
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020307719	1	48	-1.0	-44.83	390.96	7.88	-36.95
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020307720	0	42	-1.0	-40.65	363.96	7.36	-33.29
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020307720	1	42	-1.0	-40.65	364.02	7.37	-33.28
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020307721	0	39	-1.0	-40.79	343.16	6.59	-34.20
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020307721	1	39	-1.0	-40.85	343.22	6.61	-34.24
COCCOCC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307722	0	51	-1.0	-42.20	419.48	4.29	-37.91
COCCOCC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307722	1	51	-1.0	-42.20	419.54	4.30	-37.90
COCCOCC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307723	0	48	-1.0	-43.60	402.41	3.42	-40.18
COCCOCC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307723	1	48	-1.0	-43.62	402.47	3.44	-40.18
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307724	0	50	-1.0	-42.51	415.62	9.32	-33.19
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307724	1	50	-1.0	-42.55	415.67	9.34	-33.21
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307725	0	47	-1.0	-47.81	389.38	8.10	-39.71
C#CCC1(C(=O)OC)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307725	1	47	-1.0	-47.80	389.43	8.12	-39.68
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307726	0	46	-1.0	-42.66	383.66	3.78	-38.88
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307726	1	46	-1.0	-42.62	383.72	3.79	-38.83
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307727	0	43	-1.0	-44.29	366.00	2.91	-41.38
COC(=O)[C@H]1C[C@H](O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307727	1	43	-1.0	-44.32	366.05	2.94	-41.38
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307728	0	42	-1.0	-39.69	365.20	7.85	-31.84
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307728	1	42	-1.0	-39.68	365.26	7.87	-31.81
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307729	0	39	-1.0	-42.21	349.77	7.26	-34.95
CN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307729	1	39	-1.0	-42.20	349.83	7.29	-34.91
COC1=CC=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307730	0	47	-1.0	-43.58	378.64	6.78	-36.80
COC1=CC=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307730	1	47	-1.0	-43.57	378.70	6.79	-36.78
COC1=CC=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307731	0	44	-1.0	-45.39	358.13	5.94	-39.45
COC1=CC=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307731	1	44	-1.0	-45.41	358.18	5.98	-39.43
COC1=CC=CC(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=C1	REAL300020307732	0	46	-1.0	-40.46	381.06	7.34	-33.12
COC1=CC=CC(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=C1	REAL300020307732	1	46	-1.0	-40.44	381.12	7.36	-33.08
COC1=CC=CC(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020307733	0	43	-1.0	-41.82	365.89	6.49	-35.33
COC1=CC=CC(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020307733	1	43	-1.0	-41.81	365.84	6.47	-35.34
CC(F)(F)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307734	0	45	-1.0	-40.65	367.56	7.72	-32.93
CC(F)(F)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307734	1	45	-1.0	-40.63	367.61	7.74	-32.89
CC(F)(F)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307735	0	42	-1.0	-43.77	347.21	6.97	-36.80
CC(F)(F)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307735	1	42	-1.0	-43.75	347.27	7.00	-36.75
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307736	0	55	-1.0	-40.57	435.46	8.03	-32.54
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307736	1	55	-1.0	-40.55	435.52	8.05	-32.50
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307737	0	52	-1.0	-41.77	410.13	7.32	-34.45
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307737	1	52	-1.0	-41.80	410.19	7.34	-34.46
OC1=CC(F)=C2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307738	0	44	-1.0	-44.30	364.64	4.47	-39.83
OC1=CC(F)=C2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307738	1	44	-1.0	-44.32	364.70	4.48	-39.84
OC1=CC(F)=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCC2=C1	REAL300020307739	0	41	-1.0	-47.47	345.11	3.83	-43.64
OC1=CC(F)=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCC2=C1	REAL300020307739	1	41	-1.0	-47.51	345.17	3.85	-43.66
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1CC2(CC2)C1	REAL300020307740	0	43	-1.0	-39.99	346.39	7.60	-32.39
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1CC2(CC2)C1	REAL300020307740	1	43	-1.0	-40.01	346.45	7.62	-32.39
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1CC2(CC2)C1	REAL300020307741	0	40	-1.0	-43.00	338.07	6.97	-36.03
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1CC2(CC2)C1	REAL300020307741	1	40	-1.0	-42.96	338.13	7.00	-35.96
CN(C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF)C1CC2(CC2)C1	REAL300020307742	0	47	-1.0	-41.13	377.57	9.63	-31.50
CN(C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF)C1CC2(CC2)C1	REAL300020307742	1	47	-1.0	-41.11	377.60	9.62	-31.49
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[C@H]1C	REAL300020307743	0	46	-1.0	-39.72	371.41	5.81	-33.91
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[C@H]1C	REAL300020307743	1	46	-1.0	-39.73	371.46	5.83	-33.90
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[C@H]1C	REAL300020307744	0	43	-1.0	-41.21	353.57	5.16	-36.05
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[C@H]1C	REAL300020307744	1	43	-1.0	-41.18	353.63	5.18	-36.00
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC[C@H]1C	REAL300020307745	0	50	-1.0	-41.90	398.48	8.11	-33.79
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC[C@H]1C	REAL300020307745	1	50	-1.0	-41.84	398.52	8.10	-33.74
N#CC(C#N)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307746	0	44	-1.0	-48.03	377.22	7.45	-40.58
N#CC(C#N)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307746	1	44	-1.0	-48.02	377.28	7.47	-40.55
N#CC(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307747	0	41	-1.0	-49.88	356.19	6.67	-43.21
N#CC(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307747	1	41	-1.0	-49.87	356.24	6.70	-43.17
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020307748	0	49	-1.0	-38.68	368.64	8.37	-30.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020307748	1	49	-1.0	-38.70	368.70	8.38	-30.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020307749	0	46	-1.0	-40.22	346.69	7.76	-32.46
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020307749	1	46	-1.0	-40.20	346.75	7.77	-32.43
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020307750	0	53	-1.0	-41.25	387.23	11.50	-29.75
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020307750	1	53	-1.0	-41.18	387.25	11.49	-29.69
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020307751	0	42	-1.0	-41.98	352.17	6.27	-35.71
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020307751	1	42	-1.0	-41.96	352.23	6.29	-35.67
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020307752	0	39	-1.0	-46.64	323.82	5.62	-41.02
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020307752	1	39	-1.0	-46.61	323.88	5.64	-40.97
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020307753	0	46	-1.0	-45.28	379.15	8.28	-37.00
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020307753	1	46	-1.0	-45.28	379.19	8.27	-37.01
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020307754	0	42	-1.0	-41.98	352.17	6.27	-35.71
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020307754	1	42	-1.0	-41.96	352.23	6.29	-35.67
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020307755	0	39	-1.0	-46.64	323.82	5.62	-41.02
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020307755	1	39	-1.0	-46.61	323.88	5.64	-40.97
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020307756	0	46	-1.0	-45.28	379.15	8.28	-37.00
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020307756	1	46	-1.0	-45.28	379.19	8.27	-37.01
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2C	REAL300020307757	0	48	-1.0	-43.28	389.14	5.14	-38.14
COC1=CC2=C(C=C1O)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2C	REAL300020307757	1	48	-1.0	-43.30	389.19	5.17	-38.13
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307758	0	44	-1.0	-41.33	355.87	3.24	-38.09
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307758	1	44	-1.0	-41.33	355.93	3.25	-38.08
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307759	0	41	-1.0	-41.44	330.13	2.49	-38.95
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307759	1	41	-1.0	-41.41	330.16	2.51	-38.90
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307760	0	48	-1.0	-43.51	384.25	5.23	-38.28
O=C1NC[C@H]2[C@@H]1CCCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307760	1	48	-1.0	-43.51	384.26	5.21	-38.30
CC1CC(F)(F)CN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307761	0	39	-1.0	-38.47	330.77	5.44	-33.03
CC1CC(F)(F)CN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307761	1	39	-1.0	-38.46	330.83	5.45	-33.01
CC1CC(F)(F)CN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307762	0	36	-1.0	-40.10	309.02	5.56	-34.54
CC1CC(F)(F)CN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307762	1	36	-1.0	-40.10	309.08	5.59	-34.51
CC1CC(F)(F)CN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307763	0	43	-1.0	-40.73	359.46	8.57	-32.16
CC1CC(F)(F)CN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307763	1	43	-1.0	-40.78	359.50	8.56	-32.22
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020307764	0	45	-1.0	-41.45	374.63	7.34	-34.11
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020307764	1	45	-1.0	-41.45	374.68	7.35	-34.10
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020307765	0	42	-1.0	-42.46	352.67	6.73	-35.73
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020307765	1	42	-1.0	-42.47	352.73	6.75	-35.72
OC1=CC=C(C2CCCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020307766	0	50	-1.0	-40.75	405.94	6.26	-34.49
OC1=CC=C(C2CCCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020307766	1	50	-1.0	-40.75	406.00	6.27	-34.48
OC1=CC=C(C2CCCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020307767	0	47	-1.0	-42.31	384.46	6.00	-36.31
OC1=CC=C(C2CCCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020307767	1	47	-1.0	-42.28	384.41	5.98	-36.30
O=S1(=O)CCCC2(CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307768	0	49	-1.0	-43.85	382.89	3.78	-40.07
O=S1(=O)CCCC2(CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307768	1	49	-1.0	-43.84	382.95	3.80	-40.04
O=S1(=O)CCCC2(CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307769	0	46	-1.0	-49.46	361.01	3.48	-45.98
O=S1(=O)CCCC2(CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307769	1	46	-1.0	-49.48	361.06	3.50	-45.98
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307770	0	44	-1.0	-42.11	386.39	8.57	-33.54
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307770	1	44	-1.0	-42.13	386.45	8.58	-33.55
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307771	0	41	-1.0	-41.81	360.78	7.88	-33.93
CN(CC1=CC=C([N+](=O)[O-])C=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307771	1	41	-1.0	-41.82	360.83	7.89	-33.93
COCCC1(C)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307772	0	50	-1.0	-41.26	398.04	5.32	-35.94
COCCC1(C)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307772	1	50	-1.0	-41.30	398.09	5.34	-35.96
COCCC1(C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307773	0	47	-1.0	-43.12	376.11	4.55	-38.57
COCCC1(C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307773	1	47	-1.0	-43.15	376.17	4.57	-38.58
CCCCC1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307774	0	48	-1.0	-39.81	376.44	7.31	-32.50
CCCCC1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307774	1	48	-1.0	-39.82	376.50	7.32	-32.50
CCCCC1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307775	0	45	-1.0	-41.75	359.53	6.71	-35.04
CCCCC1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307775	1	45	-1.0	-41.77	359.58	6.74	-35.03
CCCCC1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307776	0	52	-1.0	-40.92	408.86	9.50	-31.42
CCCCC1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307776	1	52	-1.0	-40.90	408.91	9.49	-31.41
CN1CC2(CC1=O)CCCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307777	0	50	-1.0	-46.59	403.40	6.78	-39.81
CN1CC2(CC1=O)CCCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307777	1	50	-1.0	-46.58	403.45	6.80	-39.78
CN1CC2(CC1=O)CCCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307778	0	47	-1.0	-44.67	380.71	5.75	-38.92
CN1CC2(CC1=O)CCCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307778	1	47	-1.0	-44.68	380.76	5.77	-38.91
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020307779	0	44	-1.0	-39.93	342.72	8.06	-31.87
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020307779	1	44	-1.0	-39.95	342.78	8.08	-31.87
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020307780	0	41	-1.0	-42.07	326.46	7.31	-34.76
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020307780	1	41	-1.0	-42.01	326.52	7.33	-34.68
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020307781	0	48	-1.0	-41.20	370.96	10.02	-31.18
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020307781	1	48	-1.0	-41.17	370.99	10.01	-31.16
CC1=CC=C(OCCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020307782	0	49	-1.0	-40.21	404.04	8.46	-31.75
CC1=CC=C(OCCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020307782	1	49	-1.0	-40.19	404.10	8.48	-31.71
CC1=CC=C(OCCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020307783	0	46	-1.0	-41.09	385.53	7.78	-33.31
CC1=CC=C(OCCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020307783	1	46	-1.0	-41.09	385.59	7.81	-33.28
CC1=CC=C(C23CC2CN(C2=NN=C(CCC4=N[N-]N=N4)N2CCF)C3)C=C1	REAL300020307784	0	50	-1.0	-39.69	406.47	10.34	-29.35
CC1=CC=C(C23CC2CN(C2=NN=C(CCC4=NN=N[N-]4)N2CCF)C3)C=C1	REAL300020307784	1	50	-1.0	-39.68	406.53	10.36	-29.32
CC1=CC=C(C23CC2CN(C2=NN=C(CC4=N[N-]N=N4)N2CCF)C3)C=C1	REAL300020307785	0	47	-1.0	-41.77	390.64	9.77	-32.00
CC1=CC=C(C23CC2CN(C2=NN=C(CC4=NN=N[N-]4)N2CCF)C3)C=C1	REAL300020307785	1	47	-1.0	-41.76	390.69	9.79	-31.97
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020307786	0	51	-1.0	-46.44	414.95	8.19	-38.25
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020307786	1	51	-1.0	-46.44	415.01	8.21	-38.23
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020307787	0	48	-1.0	-48.52	396.63	7.32	-41.20
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020307787	1	48	-1.0	-48.53	396.69	7.34	-41.19
CC1=NN=C([C@H]2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)O1	REAL300020307788	0	44	-1.0	-46.65	370.82	2.11	-44.54
CC1=NN=C([C@H]2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)O1	REAL300020307788	1	44	-1.0	-46.65	370.88	2.13	-44.52
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)O1	REAL300020307789	0	41	-1.0	-46.81	349.29	1.32	-45.49
CC1=NN=C([C@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)O1	REAL300020307789	1	41	-1.0	-46.84	349.35	1.35	-45.49
COC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307790	0	44	-1.0	-44.02	355.61	9.24	-34.78
COC1=CC=C2C(=C1)CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307790	1	44	-1.0	-43.99	355.66	9.26	-34.73
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307791	0	41	-1.0	-45.96	333.76	8.65	-37.31
COC1=CC=C2C(=C1)CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307791	1	41	-1.0	-45.98	333.70	8.63	-37.35
COC(=O)C[C@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307792	0	45	-1.0	-41.43	377.02	6.96	-34.47
COC(=O)C[C@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307792	1	45	-1.0	-41.41	377.07	6.98	-34.43
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307793	0	42	-1.0	-43.79	351.30	6.21	-37.58
COC(=O)C[C@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307793	1	42	-1.0	-43.81	351.36	6.23	-37.58
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(F)F	REAL300020307794	0	39	-1.0	-39.00	326.86	6.08	-32.92
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(F)F	REAL300020307794	1	39	-1.0	-38.98	326.92	6.10	-32.88
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(F)F	REAL300020307795	0	36	-1.0	-39.88	302.93	5.56	-34.32
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(F)F	REAL300020307795	1	36	-1.0	-39.88	302.98	5.58	-34.30
CC1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1(F)F	REAL300020307796	0	43	-1.0	-40.84	354.49	8.05	-32.79
CC1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1(F)F	REAL300020307796	1	43	-1.0	-40.83	354.51	8.04	-32.79
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020307797	0	48	-1.0	-40.07	375.91	7.39	-32.68
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020307797	1	48	-1.0	-40.03	375.97	7.40	-32.63
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020307798	0	45	-1.0	-41.87	358.16	6.75	-35.12
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020307798	1	45	-1.0	-41.87	358.22	6.77	-35.10
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020307799	0	50	-1.0	-40.02	373.28	7.61	-32.41
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020307799	1	50	-1.0	-39.97	373.33	7.62	-32.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020307800	0	47	-1.0	-44.71	359.39	6.28	-38.43
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020307800	1	47	-1.0	-44.67	359.45	6.29	-38.38
COC(=O)C1=COC2=C1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307801	0	43	-1.0	-46.58	369.59	6.26	-40.32
COC(=O)C1=COC2=C1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307801	1	43	-1.0	-46.53	369.65	6.27	-40.26
COC(=O)C1=COC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307802	0	40	-1.0	-46.31	352.88	5.62	-40.69
COC(=O)C1=COC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307802	1	40	-1.0	-46.26	352.94	5.64	-40.62
CN(CC1CCCCC12CCC2)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307803	0	55	-1.0	-38.54	417.26	9.83	-28.71
CN(CC1CCCCC12CCC2)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307803	1	55	-1.0	-38.52	417.32	9.85	-28.67
CN(CC1CCCCC12CCC2)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307804	0	52	-1.0	-42.36	379.98	11.03	-31.33
CN(CC1CCCCC12CCC2)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307804	1	52	-1.0	-42.36	380.03	11.05	-31.31
OCC1=CC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=NO1	REAL300020307805	0	49	-1.0	-44.61	406.07	4.44	-40.17
OCC1=CC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=NO1	REAL300020307805	1	49	-1.0	-44.61	406.13	4.46	-40.15
OCC1=CC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=NO1	REAL300020307806	0	46	-1.0	-45.88	388.24	3.78	-42.10
OCC1=CC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=NO1	REAL300020307806	1	46	-1.0	-45.91	388.29	3.81	-42.10
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2CCCN12	REAL300020307807	0	44	-1.0	-43.86	360.48	5.61	-38.25
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2CCCN12	REAL300020307807	1	44	-1.0	-43.86	360.53	5.62	-38.24
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2CCCN12	REAL300020307808	0	41	-1.0	-51.38	334.65	4.15	-47.23
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2CCCN12	REAL300020307808	1	41	-1.0	-51.43	334.71	4.16	-47.27
O=C1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC2CCCN12	REAL300020307809	0	48	-1.0	-49.78	382.88	6.80	-42.98
O=C1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC2CCCN12	REAL300020307809	1	48	-1.0	-49.73	382.90	6.79	-42.94
C=C1CC(N(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307810	0	40	-1.0	-40.06	327.56	6.73	-33.33
C=C1CC(N(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307810	1	40	-1.0	-40.08	327.62	6.74	-33.34
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307811	0	44	-1.0	-41.95	352.51	8.68	-33.27
C=C1CC(N(C)C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307811	1	44	-1.0	-41.92	352.54	8.67	-33.25
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CCC3=N[N-]N=N3)N2CCF)O1	REAL300020307812	0	44	-1.0	-47.06	363.34	1.80	-45.26
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CCC3=NN=N[N-]3)N2CCF)O1	REAL300020307812	1	44	-1.0	-47.04	363.39	1.82	-45.22
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)O1	REAL300020307813	0	41	-1.0	-49.64	334.16	0.88	-48.76
CC1=NN=C([C@@H]2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)O1	REAL300020307813	1	41	-1.0	-49.65	334.21	0.88	-48.77
CCO[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307814	0	43	-1.0	-41.47	351.90	5.44	-36.03
CCO[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307814	1	43	-1.0	-41.48	351.96	5.46	-36.02
CCO[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307815	0	40	-1.0	-42.17	335.97	4.81	-37.36
CCO[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307815	1	40	-1.0	-42.20	336.02	4.83	-37.37
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307816	0	47	-1.0	-42.48	382.73	7.53	-34.95
CCO[C@@H]1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307816	1	47	-1.0	-42.47	382.77	7.52	-34.95
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)[C@H]2COC[C@H]21	REAL300020307817	0	45	-1.0	-41.06	359.33	3.96	-37.10
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)[C@H]2COC[C@H]21	REAL300020307817	1	45	-1.0	-41.03	359.38	3.98	-37.05
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)[C@H]2COC[C@H]21	REAL300020307818	0	42	-1.0	-42.54	337.33	3.45	-39.09
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)[C@H]2COC[C@H]21	REAL300020307818	1	42	-1.0	-42.54	337.39	3.48	-39.06
O=C(NC1CC1)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307819	0	50	-1.0	-44.05	407.73	6.24	-37.81
O=C(NC1CC1)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307819	1	50	-1.0	-44.09	407.78	6.26	-37.83
O=C(NC1CC1)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307820	0	47	-1.0	-46.49	385.96	5.64	-40.85
O=C(NC1CC1)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307820	1	47	-1.0	-46.50	386.01	5.66	-40.84
O=C1NC2=CC=CC=C2C12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020307821	0	48	-1.0	-49.00	393.21	6.45	-42.55
O=C1NC2=CC=CC=C2C12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020307821	1	48	-1.0	-48.97	393.27	6.47	-42.50
CC1(C)OC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)NC1=O	REAL300020307822	0	51	-1.0	-42.38	404.59	3.29	-39.09
CC1(C)OC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)NC1=O	REAL300020307822	1	51	-1.0	-42.40	404.65	3.30	-39.10
CC1(C)OC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)NC1=O	REAL300020307823	0	48	-1.0	-44.17	387.94	2.33	-41.84
CC1(C)OC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)NC1=O	REAL300020307823	1	48	-1.0	-44.19	387.99	2.36	-41.83
CC1C(C2=CC=C(F)C(F)=C2)CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307824	0	46	-1.0	-42.16	377.84	8.95	-33.21
CC1C(C2=CC=C(F)C(F)=C2)CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307824	1	46	-1.0	-42.15	377.90	8.98	-33.17
OC1=CC(F)=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=C1	REAL300020307825	0	47	-1.0	-45.19	395.38	6.14	-39.05
OC1=CC(F)=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=C1	REAL300020307825	1	47	-1.0	-45.19	395.44	6.16	-39.03
O=S1(=O)CCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)CC1	REAL300020307826	0	49	-1.0	-49.44	384.96	4.11	-45.33
O=S1(=O)CCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)CC1	REAL300020307826	1	49	-1.0	-49.46	385.02	4.13	-45.33
O=S1(=O)CCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)CC1	REAL300020307827	0	46	-1.0	-49.16	369.70	3.63	-45.53
O=S1(=O)CCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)CC1	REAL300020307827	1	46	-1.0	-49.20	369.76	3.64	-45.56
CC1=CC=C(Cl)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1	REAL300020307828	0	46	-1.0	-43.39	390.94	10.03	-33.36
CC1=CC=C(Cl)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1	REAL300020307828	1	46	-1.0	-43.38	390.99	10.06	-33.32
OC1=CC2=C(C=C1F)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307829	0	44	-1.0	-41.21	377.74	5.60	-35.61
OC1=CC2=C(C=C1F)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307829	1	44	-1.0	-41.23	377.80	5.62	-35.61
OC1=CC2=C(C=C1F)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307830	0	41	-1.0	-46.41	343.10	3.91	-42.50
OC1=CC2=C(C=C1F)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307830	1	41	-1.0	-46.42	343.15	3.91	-42.51
OC1=CC=CC(C2CCCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=C1F	REAL300020307831	0	47	-1.0	-47.70	387.95	6.22	-41.48
OC1=CC=CC(C2CCCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=C1F	REAL300020307831	1	47	-1.0	-47.69	388.00	6.25	-41.44
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(Br)N=C2C1	REAL300020307832	0	36	-1.0	-41.38	330.80	5.23	-36.15
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(Br)N=C2C1	REAL300020307832	1	36	-1.0	-41.36	330.86	5.25	-36.11
CC1(C(F)(F)F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307833	0	45	-1.0	-39.00	368.82	7.54	-31.46
CC1(C(F)(F)F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307833	1	45	-1.0	-39.01	368.88	7.55	-31.46
CC1(C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307834	0	42	-1.0	-39.87	350.49	6.63	-33.24
CC1(C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307834	1	42	-1.0	-39.85	350.55	6.66	-33.19
CN1C=C(C23CCC2CCN3C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=N1	REAL300020307835	0	50	-1.0	-41.85	396.96	7.45	-34.40
CN1C=C(C23CCC2CCN3C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=N1	REAL300020307835	1	50	-1.0	-41.91	396.89	7.43	-34.48
CN1C=C(C23CCC2CCN3C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=N1	REAL300020307836	0	47	-1.0	-53.29	382.82	7.04	-46.25
CN1C=C(C23CCC2CCN3C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=N1	REAL300020307836	1	47	-1.0	-53.27	382.76	7.02	-46.25
CSCC1(C)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307837	0	49	-1.0	-39.47	393.17	8.10	-31.37
CSCC1(C)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307837	1	49	-1.0	-39.47	393.23	8.11	-31.36
CSCC1(C)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307838	0	46	-1.0	-41.41	371.65	7.54	-33.87
CSCC1(C)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307838	1	46	-1.0	-41.39	371.70	7.57	-33.82
CC1(CS(C)(=O)=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307839	0	48	-1.0	-53.48	387.22	4.18	-49.30
CC1(CS(C)(=O)=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307839	1	48	-1.0	-53.54	387.28	4.21	-49.33
CC(N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF)C1(S(C)(=O)=O)CC1	REAL300020307840	0	48	-1.0	-49.47	388.81	4.59	-44.88
CC(N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF)C1(S(C)(=O)=O)CC1	REAL300020307840	1	48	-1.0	-49.49	388.87	4.60	-44.89
CC(N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1(S(C)(=O)=O)CC1	REAL300020307841	0	45	-1.0	-51.46	361.12	4.06	-47.40
CC(N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1(S(C)(=O)=O)CC1	REAL300020307841	1	45	-1.0	-51.52	361.17	4.08	-47.44
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020307842	0	46	-1.0	-38.75	391.11	6.44	-32.31
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020307842	1	46	-1.0	-38.76	391.17	6.45	-32.31
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020307843	0	43	-1.0	-40.48	373.33	5.78	-34.70
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020307843	1	43	-1.0	-40.52	373.39	5.81	-34.71
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020307844	0	46	-1.0	-42.64	384.39	9.05	-33.59
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020307844	1	46	-1.0	-42.62	384.45	9.07	-33.55
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020307845	0	43	-1.0	-44.79	362.89	8.27	-36.52
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020307845	1	43	-1.0	-44.79	362.95	8.29	-36.50
CC1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCC(F)(F)C1	REAL300020307846	0	45	-1.0	-41.39	353.73	8.22	-33.17
CC1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCC(F)(F)C1	REAL300020307846	1	45	-1.0	-41.36	353.79	8.23	-33.13
CC1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC(F)(F)C1	REAL300020307847	0	42	-1.0	-41.83	339.48	7.14	-34.69
CC1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC(F)(F)C1	REAL300020307847	1	42	-1.0	-41.86	339.54	7.15	-34.71
COC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307848	0	48	-1.0	-41.05	391.18	7.42	-33.63
COC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307848	1	48	-1.0	-41.13	391.24	7.43	-33.70
COC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307849	0	45	-1.0	-42.20	373.44	6.76	-35.44
COC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307849	1	45	-1.0	-42.24	373.49	6.78	-35.46
COC(=O)C[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307850	0	48	-1.0	-41.20	391.21	7.42	-33.78
COC(=O)C[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307850	1	48	-1.0	-41.16	391.27	7.43	-33.73
COC(=O)C[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307851	0	45	-1.0	-42.67	369.19	6.85	-35.82
COC(=O)C[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307851	1	45	-1.0	-42.62	369.24	6.87	-35.75
COC(=O)C[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307852	0	48	-1.0	-41.19	386.19	7.46	-33.73
COC(=O)C[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307852	1	48	-1.0	-41.20	386.24	7.47	-33.73
COC(=O)C[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307853	0	45	-1.0	-42.49	368.90	7.02	-35.47
COC(=O)C[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307853	1	45	-1.0	-42.52	368.95	7.04	-35.48
CC1=NOC(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)=C1	REAL300020307854	0	45	-1.0	-46.67	370.68	7.23	-39.44
CC1=NOC(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)=C1	REAL300020307854	1	45	-1.0	-46.68	370.73	7.25	-39.43
CC1=NOC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)=C1	REAL300020307855	0	42	-1.0	-48.62	352.67	6.63	-41.99
CC1=NOC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)=C1	REAL300020307855	1	42	-1.0	-48.63	352.73	6.66	-41.97
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C=C1	REAL300020307856	0	49	-1.0	-45.65	404.50	6.91	-38.74
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C=C1	REAL300020307856	1	49	-1.0	-45.68	404.55	6.92	-38.76
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)C=C1	REAL300020307857	0	46	-1.0	-47.00	392.95	6.05	-40.95
CC(=O)NC1=CC=C(CN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)C=C1	REAL300020307857	1	46	-1.0	-46.99	393.01	6.08	-40.91
CC(C1CCCO1)N(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307858	0	46	-1.0	-39.82	367.64	5.10	-34.72
CC(C1CCCO1)N(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307858	1	46	-1.0	-39.83	367.70	5.12	-34.71
CC(C1CCCO1)N(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307859	0	43	-1.0	-43.94	335.84	5.38	-38.56
CC(C1CCCO1)N(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307859	1	43	-1.0	-43.92	335.90	5.40	-38.52
CC(C1CCCO1)N(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307860	0	50	-1.0	-41.04	379.63	8.19	-32.85
CC(C1CCCO1)N(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307860	1	50	-1.0	-40.97	379.66	8.18	-32.79
COC(=O)C(C#N)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307861	0	49	-1.0	-45.51	412.56	7.67	-37.84
COC(=O)C(C#N)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307861	1	49	-1.0	-45.50	412.62	7.68	-37.82
COC(=O)C(C#N)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307862	0	46	-1.0	-47.22	391.06	6.89	-40.33
COC(=O)C(C#N)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307862	1	46	-1.0	-47.24	391.12	6.91	-40.33
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020307863	0	55	-1.0	-40.11	414.41	4.91	-35.20
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020307863	1	55	-1.0	-40.09	414.47	4.93	-35.16
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020307863	1	56	0.0	-64.20	420.32	7.69	-56.51
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020307864	0	52	-1.0	-40.38	391.72	4.28	-36.10
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020307864	1	52	-1.0	-40.39	391.78	4.29	-36.10
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020307864	1	53	0.0	-58.11	387.15	6.88	-51.23
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020307865	0	43	-1.0	-45.68	360.32	7.59	-38.09
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020307865	1	43	-1.0	-45.66	360.38	7.60	-38.06
CC1=CC=C(CN2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020307866	0	54	-1.0	-39.95	436.43	7.96	-31.99
CC1=CC=C(C[NH+]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020307866	1	55	0.0	-68.53	436.09	10.26	-58.27
CC1=CC=C(CN2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020307866	1	54	-1.0	-39.93	436.49	7.97	-31.96
CC1=CC=C(CN2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C=C1	REAL300020307867	0	51	-1.0	-41.54	414.95	7.17	-34.37
CC1=CC=C(C[NH+]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020307867	1	52	0.0	-66.27	413.50	9.62	-56.65
CC1=CC=C(CN2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C=C1	REAL300020307867	1	51	-1.0	-41.50	415.00	7.20	-34.30
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020307868	0	52	-1.0	-38.82	402.24	9.94	-28.88
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020307868	1	52	-1.0	-38.84	402.30	9.96	-28.88
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020307869	0	49	-1.0	-40.96	380.78	9.17	-31.79
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020307869	1	49	-1.0	-40.93	380.71	9.16	-31.77
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307870	0	43	-1.0	-40.89	342.29	7.16	-33.73
C[C@@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307870	1	43	-1.0	-40.86	342.25	7.15	-33.71
CO[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC[C@H]1F	REAL300020307871	0	43	-1.0	-39.32	355.06	5.17	-34.15
CO[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC[C@H]1F	REAL300020307871	1	43	-1.0	-39.32	355.12	5.18	-34.14
CO[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC[C@H]1F	REAL300020307872	0	40	-1.0	-40.55	332.12	4.69	-35.86
CO[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC[C@H]1F	REAL300020307872	1	40	-1.0	-40.56	332.18	4.71	-35.85
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC[C@H]1F	REAL300020307873	0	47	-1.0	-41.89	383.20	7.45	-34.44
CO[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC[C@H]1F	REAL300020307873	1	47	-1.0	-41.89	383.23	7.44	-34.45
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307874	0	47	-1.0	-39.79	368.21	7.51	-32.28
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307874	1	47	-1.0	-39.80	368.27	7.53	-32.27
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307875	0	44	-1.0	-41.07	343.17	6.95	-34.12
C[C@@]12CSC[C@]1(C)CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307875	1	44	-1.0	-41.10	343.23	6.97	-34.13
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307876	0	43	-1.0	-49.37	348.97	3.35	-46.02
CNC(=O)[C@H]1CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307876	1	43	-1.0	-49.40	349.02	3.36	-46.04
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307877	0	40	-1.0	-51.15	322.22	2.65	-48.50
CNC(=O)[C@H]1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307877	1	40	-1.0	-51.12	322.16	2.64	-48.48
CNC(=O)[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307878	0	47	-1.0	-49.15	385.71	6.12	-43.03
CNC(=O)[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307878	1	47	-1.0	-49.12	385.76	6.11	-43.01
N#CC1=CC=CC(N2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020307879	0	48	-1.0	-44.86	409.84	6.91	-37.95
N#CC1=CC=CC(N2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020307879	1	48	-1.0	-44.88	409.78	6.90	-37.98
N#CC1=CC=CC(N2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020307880	0	45	-1.0	-48.38	388.35	6.14	-42.24
N#CC1=CC=CC(N2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020307880	1	45	-1.0	-48.42	388.30	6.12	-42.30
O=S1(=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCN1	REAL300020307881	0	41	-1.0	-45.53	339.86	1.39	-44.14
O=S1(=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCN1	REAL300020307881	1	41	-1.0	-45.53	339.92	1.40	-44.13
O=S1(=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCN1	REAL300020307882	0	38	-1.0	-45.95	318.37	0.61	-45.34
O=S1(=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCN1	REAL300020307882	1	38	-1.0	-46.01	318.43	0.63	-45.38
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020307883	0	43	-1.0	-39.86	353.70	7.78	-32.08
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020307883	1	43	-1.0	-39.83	353.76	7.79	-32.04
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020307884	0	40	-1.0	-40.86	336.92	6.93	-33.93
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020307884	1	40	-1.0	-40.82	336.97	6.96	-33.86
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307885	0	54	0.0	-64.68	406.92	8.26	-56.42
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307885	1	54	0.0	-65.11	402.60	8.29	-56.82
CC(C)[N@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307885	1	54	0.0	-64.72	406.97	8.28	-56.44
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307885	1	54	0.0	-65.14	402.66	8.30	-56.84
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307886	0	51	0.0	-63.88	385.41	7.50	-56.38
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307886	1	51	0.0	-64.51	380.68	7.71	-56.80
CC(C)[N@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307886	1	51	0.0	-63.92	385.47	7.52	-56.40
CC(C)[N@@H+](C)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307886	1	51	0.0	-64.53	380.74	7.73	-56.80
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307887	0	46	-1.0	-43.08	373.05	10.57	-32.51
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307887	1	46	-1.0	-43.11	373.10	10.59	-32.52
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307888	0	43	-1.0	-46.98	351.24	10.08	-36.90
CN(C1=CN(C)C2=CC=CC=C12)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307888	1	43	-1.0	-46.95	351.19	10.07	-36.88
COC1=CC=CC(F)=C1C1CCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307889	0	47	-1.0	-46.25	367.49	6.41	-39.84
COC1=CC=CC(F)=C1C1CCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307889	1	47	-1.0	-46.24	367.54	6.44	-39.80
CC1C2=CC=CN=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307890	0	45	-1.0	-40.70	366.40	6.57	-34.13
CC1C2=CC=CN=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307890	1	45	-1.0	-40.74	366.45	6.58	-34.16
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307891	0	42	-1.0	-42.44	344.66	6.00	-36.44
CC1C2=CC=CN=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307891	1	42	-1.0	-42.41	344.61	5.97	-36.44
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020307892	0	51	-1.0	-38.12	369.04	7.77	-30.35
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020307892	1	51	-1.0	-38.10	369.10	7.78	-30.32
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCC1	REAL300020307893	0	48	-1.0	-40.96	357.95	8.61	-32.35
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCC1	REAL300020307893	1	48	-1.0	-40.95	358.02	8.63	-32.32
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCCC1	REAL300020307894	0	55	-1.0	-40.17	407.59	11.41	-28.76
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCCC1	REAL300020307894	1	55	-1.0	-40.18	407.64	11.39	-28.79
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307895	0	43	-1.0	-40.43	339.41	7.12	-33.31
C[C@]12CC[C@H]1CCN2C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307895	1	43	-1.0	-40.42	339.46	7.13	-33.29
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307896	0	40	-1.0	-43.74	315.24	6.06	-37.68
C[C@]12CC[C@H]1CCN2C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307896	1	40	-1.0	-43.77	315.18	6.03	-37.74
C[C@]12CC[C@H]1CCN2C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307897	0	47	-1.0	-41.81	367.73	9.11	-32.70
C[C@]12CC[C@H]1CCN2C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307897	1	47	-1.0	-41.73	367.73	9.10	-32.63
O=C1NCCCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1(F)F	REAL300020307898	0	46	-1.0	-44.21	323.91	0.08	-44.13
O=C1NCCCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1(F)F	REAL300020307898	1	46	-1.0	-44.21	323.97	0.09	-44.12
O=C1NCCCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1(F)F	REAL300020307899	0	43	-1.0	-49.68	350.85	4.23	-45.45
O=C1NCCCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1(F)F	REAL300020307899	1	43	-1.0	-49.68	350.90	4.25	-45.43
C[C@H]1CSCCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307900	0	40	-1.0	-39.24	326.08	5.01	-34.23
C[C@H]1CSCCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307900	1	40	-1.0	-39.25	326.14	5.02	-34.23
C[C@H]1CSCCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307901	0	37	-1.0	-40.14	315.57	4.92	-35.22
C[C@H]1CSCCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307901	1	37	-1.0	-40.15	315.62	4.94	-35.21
C[C@H]1CSCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307902	0	44	-1.0	-40.45	364.12	7.53	-32.92
C[C@H]1CSCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307902	1	44	-1.0	-40.44	364.18	7.52	-32.92
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307903	0	41	-1.0	-41.96	354.56	8.27	-33.69
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307903	1	41	-1.0	-41.91	354.61	8.26	-33.65
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020307904	0	40	-1.0	-44.55	317.50	5.31	-39.24
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020307904	1	40	-1.0	-44.57	317.56	5.32	-39.25
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020307905	0	37	-1.0	-48.59	295.08	4.78	-43.81
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020307905	1	37	-1.0	-48.58	295.14	4.80	-43.78
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020307906	0	44	-1.0	-46.16	353.89	7.58	-38.58
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020307906	1	44	-1.0	-46.17	353.92	7.58	-38.59
CN(CC12CCC(CC1)C2)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307907	0	49	-1.0	-38.85	379.90	8.77	-30.08
CN(CC12CCC(CC1)C2)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307907	1	49	-1.0	-38.84	379.96	8.79	-30.05
CN(CC12CCC(CC1)C2)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307908	0	46	-1.0	-40.00	358.43	7.99	-32.01
CN(CC12CCC(CC1)C2)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307908	1	46	-1.0	-40.00	358.49	8.01	-31.99
CN(CC12CCC(CC1)C2)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307909	0	53	-1.0	-40.21	408.50	10.69	-29.52
CN(CC12CCC(CC1)C2)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307909	1	53	-1.0	-40.20	408.54	10.68	-29.52
CCC1=CSC(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)=N1	REAL300020307910	0	48	-1.0	-42.41	408.62	7.49	-34.92
CCC1=CSC(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)=N1	REAL300020307910	1	48	-1.0	-42.46	408.68	7.52	-34.94
CC(F)(F)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307911	0	45	-1.0	-42.64	368.13	7.49	-35.15
CC(F)(F)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307911	1	45	-1.0	-42.65	368.19	7.50	-35.15
CC(F)(F)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307912	0	42	-1.0	-44.02	350.34	6.84	-37.18
CC(F)(F)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307912	1	42	-1.0	-43.98	350.40	6.87	-37.11
FCCCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307913	0	48	-1.0	-40.58	389.93	8.47	-32.11
FCCCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307913	1	48	-1.0	-40.59	389.98	8.48	-32.11
FCCCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307914	0	45	-1.0	-42.97	368.42	7.68	-35.29
FCCCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307914	1	45	-1.0	-42.98	368.48	7.71	-35.27
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020307915	0	48	-1.0	-40.57	401.46	8.72	-31.85
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020307915	1	48	-1.0	-40.63	401.52	8.73	-31.90
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020307916	0	45	-1.0	-42.40	379.97	7.93	-34.47
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020307916	1	45	-1.0	-42.41	380.02	7.96	-34.45
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020307917	0	43	-1.0	-41.25	364.33	7.96	-33.29
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020307917	1	43	-1.0	-41.26	364.39	7.98	-33.28
CC1(C(F)(F)F)CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307918	0	45	-1.0	-40.83	370.98	8.00	-32.83
CC1(C(F)(F)F)CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307918	1	45	-1.0	-40.83	371.04	8.02	-32.81
CC1(C(F)(F)F)CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307919	0	42	-1.0	-43.02	349.01	7.21	-35.81
CC1(C(F)(F)F)CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307919	1	42	-1.0	-43.04	349.07	7.24	-35.80
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020307920	0	53	-1.0	-39.15	409.15	7.79	-31.36
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020307920	1	53	-1.0	-39.15	409.21	7.80	-31.35
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020307921	0	50	-1.0	-41.84	388.22	7.24	-34.60
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020307921	1	50	-1.0	-41.84	388.29	7.27	-34.57
NC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307922	0	43	-1.0	-44.83	354.90	3.06	-41.77
NC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307922	1	43	-1.0	-44.84	354.96	3.08	-41.76
NC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307923	0	40	-1.0	-48.27	333.86	2.28	-45.99
NC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307923	1	40	-1.0	-48.22	333.92	2.31	-45.91
NC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020307924	0	47	-1.0	-47.48	374.76	5.02	-42.46
NC(=O)C1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020307924	1	47	-1.0	-47.49	374.77	5.00	-42.49
O=C1CN(C2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C(=O)N1	REAL300020307925	0	48	-1.0	-46.16	395.72	3.89	-42.27
O=C1CN(C2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C(=O)N1	REAL300020307925	1	48	-1.0	-46.19	395.77	3.90	-42.29
O=C1CN(C2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C(=O)N1	REAL300020307926	0	45	-1.0	-47.27	373.78	3.29	-43.98
O=C1CN(C2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C(=O)N1	REAL300020307926	1	45	-1.0	-47.26	373.83	3.30	-43.96
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020307927	0	45	-1.0	-40.77	355.56	8.01	-32.76
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020307927	1	45	-1.0	-40.81	355.61	8.03	-32.78
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020307928	0	42	-1.0	-40.49	333.39	7.47	-33.02
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020307928	1	42	-1.0	-40.50	333.45	7.50	-33.00
OCC1(F)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307929	0	43	-1.0	-43.95	354.43	3.71	-40.24
OCC1(F)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307929	1	43	-1.0	-43.95	354.49	3.72	-40.23
OCC1(F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307930	0	40	-1.0	-45.42	337.26	2.85	-42.57
OCC1(F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307930	1	40	-1.0	-45.39	337.32	2.88	-42.51
OCC1(F)CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020307931	0	47	-1.0	-45.35	384.93	5.83	-39.52
OCC1(F)CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020307931	1	47	-1.0	-45.35	384.97	5.82	-39.53
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307932	0	46	-1.0	-43.85	383.09	7.55	-36.30
CCOC(=O)C1=CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307932	1	46	-1.0	-43.94	383.15	7.56	-36.38
CCOC(=O)C1=CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307933	0	43	-1.0	-46.22	357.81	6.26	-39.96
CCOC(=O)C1=CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307933	1	43	-1.0	-46.22	357.86	6.28	-39.94
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307934	0	46	-1.0	-41.49	379.48	8.82	-32.67
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307934	1	46	-1.0	-41.49	379.53	8.83	-32.66
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307935	0	43	-1.0	-42.61	355.52	8.29	-34.32
CC1=CC=C(F)C2=C1CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307935	1	43	-1.0	-42.63	355.58	8.31	-34.32
CO[C@@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307936	0	43	-1.0	-40.68	350.94	5.36	-35.32
CO[C@@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307936	1	43	-1.0	-40.72	350.99	5.38	-35.34
CO[C@@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307937	0	40	-1.0	-42.40	329.68	4.56	-37.84
CO[C@@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307937	1	40	-1.0	-42.42	329.73	4.57	-37.85
CO[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307938	0	47	-1.0	-42.48	378.08	7.39	-35.09
CO[C@@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307938	1	47	-1.0	-42.41	378.08	7.38	-35.03
COC(=O)C1=CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307939	0	43	-1.0	-45.30	359.93	5.89	-39.41
COC(=O)C1=CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307939	1	43	-1.0	-45.29	359.99	5.90	-39.39
COC(=O)C1=CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307940	0	40	-1.0	-42.02	347.12	5.98	-36.04
COC(=O)C1=CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307940	1	40	-1.0	-42.01	347.17	6.00	-36.01
COC(=O)C1=CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CC1	REAL300020307941	0	47	-1.0	-46.92	385.90	8.00	-38.92
COC(=O)C1=CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CC1	REAL300020307941	1	47	-1.0	-46.88	385.94	8.00	-38.88
CC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307942	0	43	-1.0	-39.25	335.58	4.83	-34.42
CC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307942	1	43	-1.0	-39.22	335.63	4.85	-34.37
CC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307943	0	40	-1.0	-41.18	319.10	4.20	-36.98
CC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307943	1	40	-1.0	-41.18	319.16	4.22	-36.96
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020307944	0	47	-1.0	-41.01	367.84	6.93	-34.08
CC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020307944	1	47	-1.0	-40.96	367.77	6.90	-34.06
CO[C@H]1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307945	0	43	-1.0	-40.00	351.55	5.16	-34.84
CO[C@H]1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307945	1	43	-1.0	-40.04	351.60	5.18	-34.86
CO[C@H]1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307946	0	40	-1.0	-42.17	324.77	4.63	-37.54
CO[C@H]1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307946	1	40	-1.0	-42.16	324.80	4.64	-37.52
CO[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020307947	0	47	-1.0	-42.42	378.99	7.46	-34.96
CO[C@H]1CCCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020307947	1	47	-1.0	-42.41	379.02	7.45	-34.96
COC[C@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307948	0	44	-1.0	-40.70	348.41	3.25	-37.45
COC[C@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307948	1	44	-1.0	-40.68	348.47	3.26	-37.42
COC[C@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307949	0	41	-1.0	-41.07	325.86	2.78	-38.29
COC[C@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307949	1	41	-1.0	-41.04	325.91	2.79	-38.25
COC[C@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020307950	0	48	-1.0	-42.66	380.74	5.35	-37.31
COC[C@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020307950	1	48	-1.0	-42.65	380.77	5.34	-37.31
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020307951	0	48	-1.0	-41.41	397.73	8.56	-32.85
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020307951	1	48	-1.0	-41.49	397.78	8.57	-32.92
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020307952	0	45	-1.0	-44.08	376.22	8.01	-36.07
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020307952	1	45	-1.0	-44.10	376.28	8.03	-36.07
COC[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307953	0	44	-1.0	-40.62	353.46	3.41	-37.21
COC[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307953	1	44	-1.0	-40.59	353.52	3.42	-37.17
COC[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCO1	REAL300020307954	0	41	-1.0	-41.40	346.21	3.30	-38.10
COC[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCO1	REAL300020307954	1	41	-1.0	-41.40	346.27	3.32	-38.08
COC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)CCO1	REAL300020307955	0	48	-1.0	-42.38	392.07	5.93	-36.45
COC[C@@H]1CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)CCO1	REAL300020307955	1	48	-1.0	-42.35	392.10	5.92	-36.43
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020307956	0	45	-1.0	-40.48	365.24	6.34	-34.14
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020307956	1	45	-1.0	-40.49	365.29	6.35	-34.14
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020307957	0	42	-1.0	-42.09	348.04	5.47	-36.62
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020307957	1	42	-1.0	-42.04	348.10	5.50	-36.54
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020307958	0	49	-1.0	-40.95	397.94	8.25	-32.70
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020307958	1	49	-1.0	-40.93	397.99	8.24	-32.69
CC1=CC=C(F)C(C2CCCN2C2=NN=C(CC3=N[N-]N=N3)N2CCF)=C1F	REAL300020307959	0	46	-1.0	-45.31	381.86	9.73	-35.58
CC1=CC=C(F)C(C2CCCN2C2=NN=C(CC3=NN=N[N-]3)N2CCF)=C1F	REAL300020307959	1	46	-1.0	-45.27	381.91	9.74	-35.53
CC1(C)C=CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307960	0	40	-1.0	-39.60	324.03	5.70	-33.90
CC1(C)C=CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307960	1	40	-1.0	-39.64	324.08	5.72	-33.92
CC1(C)C=CCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307961	0	44	-1.0	-40.70	355.27	7.74	-32.96
CC1(C)C=CCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307961	1	44	-1.0	-40.68	355.33	7.73	-32.95
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307962	0	45	-1.0	-44.44	370.48	3.04	-41.40
CC1NC(=O)OC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307962	1	45	-1.0	-44.47	370.54	3.06	-41.41
CC1NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307963	0	42	-1.0	-44.23	343.98	2.24	-41.99
CC1NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307963	1	42	-1.0	-44.27	344.03	2.27	-42.00
NC(=O)C1COC2(C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020307964	0	51	-1.0	-45.40	410.48	3.01	-42.39
NC(=O)C1COC2(C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020307964	1	51	-1.0	-45.37	410.54	3.02	-42.35
NC(=O)C1COC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020307965	0	48	-1.0	-48.01	388.35	2.41	-45.60
NC(=O)C1COC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020307965	1	48	-1.0	-48.03	388.41	2.43	-45.60
CS(=O)(=O)C1=C2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CCN2N=C1	REAL300020307966	0	43	-1.0	-48.48	379.39	1.85	-46.63
CS(=O)(=O)C1=C2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CCN2N=C1	REAL300020307966	1	43	-1.0	-48.52	379.44	1.88	-46.64
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020307967	0	53	-1.0	-40.75	396.39	6.24	-34.51
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020307967	1	53	-1.0	-40.78	396.45	6.26	-34.52
FCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020307968	0	50	-1.0	-43.13	378.90	5.82	-37.31
FCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020307968	1	50	-1.0	-43.13	378.96	5.85	-37.28
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307969	0	49	-1.0	-47.21	402.95	6.00	-41.21
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307969	1	49	-1.0	-47.20	403.00	6.02	-41.18
O=C1N[C@@H]2CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@@H]2O1	REAL300020307970	0	42	-1.0	-49.58	345.92	2.52	-47.06
O=C1N[C@@H]2CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@@H]2O1	REAL300020307970	1	42	-1.0	-49.65	345.98	2.53	-47.12
O=C1N[C@@H]2CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@@H]2O1	REAL300020307971	0	39	-1.0	-50.39	327.94	1.74	-48.65
O=C1N[C@@H]2CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@@H]2O1	REAL300020307971	1	39	-1.0	-50.42	328.00	1.75	-48.67
O=C1N[C@@H]2CCN(C3=NN=C(C4=CC=C(C5=N[N-]N=N5)C=C4)N3CCF)C[C@@H]2O1	REAL300020307972	0	46	-1.0	-50.82	381.02	4.40	-46.42
O=C1N[C@@H]2CCN(C3=NN=C(C4=CC=C(C5=NN=N[N-]5)C=C4)N3CCF)C[C@@H]2O1	REAL300020307972	1	46	-1.0	-50.80	380.99	4.39	-46.41
CCOC(=O)CC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307973	0	51	-1.0	-40.84	415.94	8.67	-32.17
CCOC(=O)CC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307973	1	51	-1.0	-40.87	416.00	8.69	-32.18
CCOC(=O)CC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307974	0	48	-1.0	-42.05	394.97	7.68	-34.37
CCOC(=O)CC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307974	1	48	-1.0	-42.01	395.03	7.70	-34.31
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020307975	0	46	-1.0	-41.54	390.99	9.08	-32.46
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020307975	1	46	-1.0	-41.56	391.05	9.11	-32.45
CCOC(=O)C1CC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020307976	0	52	-1.0	-43.19	425.54	9.29	-33.90
CCOC(=O)C1CC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020307976	1	52	-1.0	-43.22	425.60	9.31	-33.91
CCOC(=O)C1CC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020307977	0	49	-1.0	-45.49	403.07	8.67	-36.82
CCOC(=O)C1CC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020307977	1	49	-1.0	-45.49	403.10	8.68	-36.81
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307978	0	43	-1.0	-41.70	348.96	8.37	-33.33
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307978	1	43	-1.0	-41.67	348.99	8.36	-33.31
CC(C)(C)OC(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307979	0	51	-1.0	-43.71	402.67	8.11	-35.60
CC(C)(C)OC(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307979	1	51	-1.0	-43.76	402.73	8.12	-35.64
CC(C)(C)OC(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307980	0	48	-1.0	-42.55	384.05	7.52	-35.03
CC(C)(C)OC(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307980	1	48	-1.0	-42.59	384.11	7.55	-35.04
COC(=O)C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC(C)(C)O1	REAL300020307981	0	49	-1.0	-43.22	402.65	6.77	-36.45
COC(=O)C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC(C)(C)O1	REAL300020307981	1	49	-1.0	-43.22	402.71	6.79	-36.43
COC(=O)C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC(C)(C)O1	REAL300020307982	0	46	-1.0	-44.48	384.89	6.12	-38.36
COC(=O)C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC(C)(C)O1	REAL300020307982	1	46	-1.0	-44.49	384.94	6.14	-38.35
COC(=O)C1(C(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307983	0	45	-1.0	-45.55	378.68	6.70	-38.85
COC(=O)C1(C(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307983	1	45	-1.0	-45.54	378.73	6.72	-38.82
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020307984	0	43	-1.0	-41.70	348.96	8.37	-33.33
C[C@H]1CCCN1C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020307984	1	43	-1.0	-41.67	348.99	8.36	-33.31
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020307985	0	48	-1.0	-42.12	393.06	8.09	-34.03
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020307985	1	48	-1.0	-42.13	393.12	8.11	-34.02
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020307986	0	45	-1.0	-45.30	375.61	7.42	-37.88
CCCN(CC1=CC(F)=CC=C1F)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020307986	1	45	-1.0	-45.33	375.67	7.45	-37.88
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020307987	0	46	-1.0	-40.54	362.40	7.59	-32.95
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020307987	1	46	-1.0	-40.54	362.46	7.61	-32.93
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020307988	0	43	-1.0	-38.78	346.85	7.40	-31.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020307988	1	43	-1.0	-38.77	346.94	7.40	-31.37
COC(=O)C1COC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020307989	0	50	-1.0	-46.29	409.22	6.57	-39.72
COC(=O)C1COC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020307989	1	50	-1.0	-46.29	409.28	6.60	-39.69
CP(C)(=O)C1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307990	0	48	-1.0	-45.57	398.90	5.78	-39.79
CP(C)(=O)C1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307990	1	48	-1.0	-45.59	398.96	5.79	-39.80
CP(C)(=O)C1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307991	0	45	-1.0	-48.99	377.94	5.23	-43.76
CP(C)(=O)C1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307991	1	45	-1.0	-48.98	378.00	5.25	-43.73
COC(=O)C1CC2CC1CN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020307992	0	49	-1.0	-44.16	374.97	9.30	-34.86
COC(=O)C1CC2CC1CN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020307992	1	49	-1.0	-44.13	375.03	9.32	-34.81
COC(=O)C1CC2CC1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020307993	0	46	-1.0	-45.10	358.96	8.68	-36.42
COC(=O)C1CC2CC1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020307993	1	46	-1.0	-45.08	359.02	8.70	-36.38
CC(C)(C)OCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020307994	0	55	-1.0	-39.79	432.67	8.11	-31.68
CC(C)(C)OCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020307994	1	55	-1.0	-39.79	432.73	8.13	-31.66
CC(C)(C)OCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020307995	0	52	-1.0	-42.44	411.16	7.33	-35.11
CC(C)(C)OCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020307995	1	52	-1.0	-42.43	411.22	7.35	-35.08
CC(C)(C)OCC1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307996	0	55	-1.0	-38.71	428.94	7.98	-30.73
CC(C)(C)OCC1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307996	1	55	-1.0	-38.77	429.00	7.99	-30.78
CC(C)(C)OCC1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307997	0	52	-1.0	-40.66	411.17	7.32	-33.34
CC(C)(C)OCC1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307997	1	52	-1.0	-40.68	411.23	7.34	-33.34
CP(C)(=O)C1CCCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020307998	0	48	-1.0	-46.38	401.45	6.06	-40.32
CP(C)(=O)C1CCCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020307998	1	48	-1.0	-46.34	401.50	6.08	-40.26
CP(C)(=O)C1CCCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020307999	0	45	-1.0	-48.26	377.03	5.20	-43.06
CP(C)(=O)C1CCCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020307999	1	45	-1.0	-48.29	377.09	5.23	-43.06
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2CCCCN12	REAL300020308000	0	47	-1.0	-44.53	367.70	5.87	-38.66
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2CCCCN12	REAL300020308000	1	47	-1.0	-44.52	367.76	5.88	-38.64
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2CCCCN12	REAL300020308001	0	44	-1.0	-42.07	352.49	5.39	-36.68
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2CCCCN12	REAL300020308001	1	44	-1.0	-42.06	352.55	5.41	-36.65
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020308002	0	45	-1.0	-41.87	364.64	6.38	-35.49
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020308002	1	45	-1.0	-41.86	364.70	6.40	-35.46
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020308003	0	42	-1.0	-44.19	346.84	5.74	-38.45
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020308003	1	42	-1.0	-44.21	346.90	5.76	-38.45
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020308004	0	49	-1.0	-43.04	395.12	8.52	-34.52
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020308004	1	49	-1.0	-43.04	395.17	8.51	-34.53
CCN(CC1CCOCC1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020308005	0	49	-1.0	-40.25	392.67	6.35	-33.90
CCN(CC1CCOCC1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020308005	1	49	-1.0	-40.26	392.73	6.36	-33.90
CCN(CC1CCOCC1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020308006	0	46	-1.0	-42.02	371.17	5.56	-36.46
CCN(CC1CCOCC1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020308006	1	46	-1.0	-42.03	371.24	5.59	-36.44
CC1(C)NC(=O)OC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020308007	0	51	-1.0	-50.37	399.65	4.40	-45.97
CC1(C)NC(=O)OC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020308007	1	51	-1.0	-50.40	399.71	4.41	-45.99
CC1(C)NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020308008	0	48	-1.0	-52.42	381.81	3.53	-48.89
CC1(C)NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020308008	1	48	-1.0	-52.48	381.87	3.55	-48.93
CC1=CSC(CCN(C)C2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020308009	0	44	-1.0	-41.92	386.91	6.49	-35.43
CC1=CSC(CCN(C)C2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020308009	1	44	-1.0	-41.96	386.97	6.51	-35.45
CC1=CSC(CCN(C)C2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020308010	0	41	-1.0	-43.64	365.42	5.71	-37.93
CC1=CSC(CCN(C)C2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020308010	1	41	-1.0	-43.61	365.48	5.73	-37.88
O=S1(=O)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCCCN1	REAL300020308011	0	47	-1.0	-46.74	373.94	3.49	-43.25
O=S1(=O)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCCCN1	REAL300020308011	1	47	-1.0	-46.79	374.00	3.51	-43.28
O=S1(=O)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCCCN1	REAL300020308012	0	44	-1.0	-48.45	355.61	1.82	-46.63
O=S1(=O)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCCCN1	REAL300020308012	1	44	-1.0	-48.47	355.67	1.83	-46.64
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@H]2C1	REAL300020308013	0	49	-1.0	-45.77	386.56	7.54	-38.23
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@H]2C1	REAL300020308013	1	49	-1.0	-45.75	386.62	7.55	-38.20
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@H]2C1	REAL300020308014	0	46	-1.0	-47.30	369.87	6.90	-40.40
COC(=O)[C@H]1C[C@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@H]2C1	REAL300020308014	1	46	-1.0	-47.34	369.92	6.92	-40.42
COC(=O)C1(C2CCC2)CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020308015	0	52	-1.0	-42.19	407.96	8.12	-34.07
COC(=O)C1(C2CCC2)CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020308015	1	52	-1.0	-42.20	408.02	8.14	-34.06
COC(=O)C1(C2CCC2)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020308016	0	49	-1.0	-40.82	395.78	7.45	-33.37
COC(=O)C1(C2CCC2)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020308016	1	49	-1.0	-40.83	395.84	7.47	-33.36
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020308017	0	47	-1.0	-41.93	362.37	6.14	-35.79
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020308017	1	47	-1.0	-41.94	362.43	6.16	-35.78
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020308018	0	44	-1.0	-44.41	340.87	5.36	-39.05
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020308018	1	44	-1.0	-44.40	340.93	5.38	-39.02
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020308019	0	51	-1.0	-42.37	393.37	8.22	-34.15
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020308019	1	51	-1.0	-42.36	393.42	8.21	-34.15
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020308020	0	39	-1.0	-38.79	343.21	6.39	-32.40
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020308020	1	39	-1.0	-38.82	343.26	6.41	-32.41
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020308021	0	36	-1.0	-39.48	320.31	5.80	-33.68
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020308021	1	36	-1.0	-39.50	320.37	5.83	-33.67
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C[C@@H]21	REAL300020308022	0	47	-1.0	-46.05	370.92	5.12	-40.93
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C[C@@H]21	REAL300020308022	1	47	-1.0	-46.06	370.98	5.14	-40.92
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C[C@@H]21	REAL300020308023	0	44	-1.0	-45.80	348.86	4.57	-41.23
COC(=O)[C@@H]1CO[C@@H]2CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C[C@@H]21	REAL300020308023	1	44	-1.0	-45.79	348.91	4.59	-41.20
CC1(C)NC(=O)OC12CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)C2	REAL300020308024	0	48	-1.0	-44.84	380.69	3.55	-41.29
CC1(C)NC(=O)OC12CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)C2	REAL300020308024	1	48	-1.0	-44.85	380.74	3.57	-41.28
CC1(C)NC(=O)OC12CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)C2	REAL300020308025	0	45	-1.0	-47.49	357.81	2.83	-44.66
CC1(C)NC(=O)OC12CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)C2	REAL300020308025	1	45	-1.0	-47.48	357.87	2.85	-44.63
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020308026	0	51	-1.0	-39.22	387.48	7.11	-32.11
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020308026	1	51	-1.0	-39.24	387.54	7.12	-32.12
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020308027	0	48	-1.0	-43.00	360.32	6.62	-36.38
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020308027	1	48	-1.0	-43.01	360.37	6.64	-36.37
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020308028	0	55	-1.0	-40.34	430.36	10.92	-29.42
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020308028	1	55	-1.0	-40.44	430.42	10.93	-29.51
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020308029	0	52	-1.0	-41.04	404.20	10.10	-30.94
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020308029	1	52	-1.0	-41.04	404.24	10.12	-30.92
CCOC(=O)C1=NOC2=C1CN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020308030	0	45	-1.0	-49.34	384.30	6.58	-42.76
CCOC(=O)C1=NOC2=C1CN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020308030	1	45	-1.0	-49.39	384.36	6.61	-42.78
OC[C@]12CCCC[C@@H]1N(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CCC2	REAL300020308031	0	53	-1.0	-39.63	398.48	5.51	-34.12
OC[C@]12CCCC[C@@H]1N(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CCC2	REAL300020308031	1	53	-1.0	-39.61	398.54	5.52	-34.09
OC[C@]12CCCC[C@@H]1N(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CCC2	REAL300020308032	0	50	-1.0	-41.73	371.35	4.25	-37.48
OC[C@]12CCCC[C@@H]1N(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CCC2	REAL300020308032	1	50	-1.0	-41.77	371.41	4.27	-37.50
OC[C@]12CCC[C@H]1N(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CCC2	REAL300020308033	0	50	-1.0	-39.65	388.91	5.35	-34.30
OC[C@]12CCC[C@H]1N(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CCC2	REAL300020308033	1	50	-1.0	-39.65	388.97	5.36	-34.29
OC[C@]12CCC[C@H]1N(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CCC2	REAL300020308034	0	47	-1.0	-42.05	367.65	4.27	-37.78
OC[C@]12CCC[C@H]1N(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CCC2	REAL300020308034	1	47	-1.0	-42.09	367.71	4.29	-37.80
CCCN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020308035	0	42	-1.0	-43.23	359.19	9.02	-34.21
CCCN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020308035	1	42	-1.0	-43.21	359.13	9.01	-34.20
CCCN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020308036	0	39	-1.0	-45.11	337.64	8.25	-36.86
CCCN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020308036	1	39	-1.0	-45.12	337.58	8.22	-36.90
CCCN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=N1	REAL300020308037	0	46	-1.0	-44.86	387.51	10.97	-33.89
CCCN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=N1	REAL300020308037	1	46	-1.0	-44.91	387.47	10.97	-33.94
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020308038	0	47	-1.0	-43.17	384.00	6.43	-36.74
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020308038	1	47	-1.0	-43.19	384.06	6.45	-36.74
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020308039	0	44	-1.0	-46.59	361.71	6.02	-40.57
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020308039	1	44	-1.0	-46.57	361.77	6.05	-40.52
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300020308040	0	47	-1.0	-48.77	381.93	8.59	-40.18
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300020308040	1	47	-1.0	-48.82	381.99	8.62	-40.20
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020308041	0	41	-1.0	-41.23	318.07	6.98	-34.25
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020308041	1	41	-1.0	-41.22	318.12	7.00	-34.22
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020308042	0	38	-1.0	-43.66	305.65	6.05	-37.61
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020308042	1	38	-1.0	-43.69	305.59	6.02	-37.67
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020308043	0	45	-1.0	-42.17	355.38	9.03	-33.14
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020308043	1	45	-1.0	-42.08	355.41	9.01	-33.07
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020308044	0	47	-1.0	-41.97	349.65	8.35	-33.62
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020308044	1	47	-1.0	-41.92	349.71	8.37	-33.55
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020308045	0	44	-1.0	-41.16	357.65	9.47	-31.69
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020308045	1	44	-1.0	-41.16	357.60	9.44	-31.72
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020308046	0	45	-1.0	-39.19	364.44	6.02	-33.17
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020308046	1	45	-1.0	-39.17	364.50	6.03	-33.14
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020308047	0	42	-1.0	-42.62	332.24	5.47	-37.15
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020308047	1	42	-1.0	-42.57	332.29	5.48	-37.09
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020308048	0	49	-1.0	-41.07	390.08	8.15	-32.92
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020308048	1	49	-1.0	-41.05	390.12	8.14	-32.91
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020308049	0	44	-1.0	-39.79	341.48	3.43	-36.36
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020308049	1	44	-1.0	-39.79	341.54	3.45	-36.34
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020308050	0	41	-1.0	-41.52	319.98	2.65	-38.87
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020308050	1	41	-1.0	-41.49	320.04	2.67	-38.82
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020308051	0	48	-1.0	-41.81	360.15	5.32	-36.49
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020308051	1	48	-1.0	-41.77	360.17	5.30	-36.47
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020308052	0	53	-1.0	-39.72	392.47	7.80	-31.92
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020308052	1	53	-1.0	-39.72	392.53	7.82	-31.90
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020308053	0	50	-1.0	-43.03	365.77	7.08	-35.95
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020308053	1	50	-1.0	-43.05	365.82	7.11	-35.94
CCCOC(=O)NCCCN(C)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020308054	0	52	-1.0	-45.36	428.13	5.33	-40.03
CCCOC(=O)NCCCN(C)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020308054	1	52	-1.0	-45.36	428.18	5.34	-40.02
CCCOC(=O)NCCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020308055	0	49	-1.0	-45.10	400.25	4.70	-40.40
CCCOC(=O)NCCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020308055	1	49	-1.0	-45.11	400.30	4.71	-40.40
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020308056	0	44	-1.0	-38.44	357.41	7.87	-30.57
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020308056	1	44	-1.0	-38.43	357.46	7.89	-30.54
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020308057	0	41	-1.0	-40.95	339.68	7.21	-33.74
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020308057	1	41	-1.0	-40.97	339.62	7.18	-33.79
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020308058	0	48	-1.0	-40.81	387.60	10.30	-30.51
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020308058	1	48	-1.0	-40.76	387.64	10.28	-30.48
CN(C1=NN=C(CCC2=N[N-]N=N2)N1CCF)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020308059	0	46	-1.0	-40.23	379.55	9.08	-31.15
CN(C1=NN=C(CCC2=NN=N[N-]2)N1CCF)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020308059	1	46	-1.0	-40.21	379.61	9.10	-31.11
CN(C1=NN=C(CC2=N[N-]N=N2)N1CCF)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020308060	0	43	-1.0	-42.41	357.92	8.45	-33.96
CN(C1=NN=C(CC2=NN=N[N-]2)N1CCF)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020308060	1	43	-1.0	-42.43	357.98	8.47	-33.96
CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020308061	0	51	-1.0	-39.24	402.96	9.30	-29.94
CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020308061	1	51	-1.0	-39.21	403.02	9.32	-29.89
CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020308062	0	48	-1.0	-42.07	386.76	8.67	-33.40
CC(C)N(CC1=NOC(C2CC2)=C1)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020308062	1	48	-1.0	-42.08	386.81	8.70	-33.38
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020308063	0	46	-1.0	-40.62	360.28	7.83	-32.79
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020308063	1	46	-1.0	-40.61	360.34	7.85	-32.76
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020308064	0	43	-1.0	-42.39	340.91	7.10	-35.29
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020308064	1	43	-1.0	-42.40	340.96	7.12	-35.28
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020308065	0	50	-1.0	-41.60	391.18	9.88	-31.72
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020308065	1	50	-1.0	-41.57	391.22	9.87	-31.70
CCC(O)CN(CC)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020308066	0	45	-1.0	-40.02	356.52	3.57	-36.45
CCC(O)CN(CC)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020308066	1	45	-1.0	-40.03	356.57	3.59	-36.44
CCC(O)CN(CC)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020308067	0	42	-1.0	-42.27	337.15	2.90	-39.37
CCC(O)CN(CC)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020308067	1	42	-1.0	-42.30	337.20	2.92	-39.38
CCC(O)CN(CC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020308068	0	49	-1.0	-41.38	384.71	5.65	-35.73
CCC(O)CN(CC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020308068	1	49	-1.0	-41.42	384.76	5.64	-35.78
CCN(CCCCO)C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020308069	0	45	-1.0	-42.58	362.58	3.10	-39.48
CCN(CCCCO)C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020308069	1	45	-1.0	-42.60	362.63	3.11	-39.49
CCN(CCCCO)C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020308070	0	42	-1.0	-45.32	341.15	2.31	-43.01
CCN(CCCCO)C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020308070	1	42	-1.0	-45.30	341.21	2.33	-42.97
CCN(CCCCO)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCF	REAL300020308071	0	49	-1.0	-44.31	386.52	4.85	-39.46
CCN(CCCCO)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCF	REAL300020308071	1	49	-1.0	-44.19	386.59	4.83	-39.36
FCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020308072	0	47	-1.0	-46.22	387.16	9.93	-36.29
FCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020308072	1	47	-1.0	-46.17	387.10	9.91	-36.26
FCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020308073	0	44	-1.0	-47.22	370.33	9.28	-37.94
FCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020308073	1	44	-1.0	-47.23	370.27	9.25	-37.98
CN1C(=O)CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)[C@H]2C[C@H]21	REAL300020308074	0	41	-1.0	-42.40	345.73	5.17	-37.23
CN1C(=O)CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)[C@H]2C[C@H]21	REAL300020308074	1	41	-1.0	-42.45	345.79	5.19	-37.26
CN1C(=O)CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)[C@H]2C[C@H]21	REAL300020308075	0	38	-1.0	-45.02	327.95	4.54	-40.48
CN1C(=O)CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)[C@H]2C[C@H]21	REAL300020308075	1	38	-1.0	-45.08	327.89	4.52	-40.56
CN1C(=O)CN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)[C@H]2C[C@H]21	REAL300020308076	0	45	-1.0	-44.46	366.66	7.17	-37.29
CN1C(=O)CN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)[C@H]2C[C@H]21	REAL300020308076	1	45	-1.0	-44.44	366.68	7.16	-37.28
CC1=NOC2(C1)CCN(C1=NN=C(CCC3=N[N-]N=N3)N1CCF)CC2	REAL300020308077	0	47	-1.0	-46.94	383.66	6.59	-40.35
CC1=NOC2(C1)CCN(C1=NN=C(CCC3=NN=N[N-]3)N1CCF)CC2	REAL300020308077	1	47	-1.0	-46.97	383.72	6.61	-40.36
CC1=NOC2(C1)CCN(C1=NN=C(CC3=N[N-]N=N3)N1CCF)CC2	REAL300020308078	0	44	-1.0	-49.91	364.77	5.90	-44.01
CC1=NOC2(C1)CCN(C1=NN=C(CC3=NN=N[N-]3)N1CCF)CC2	REAL300020308078	1	44	-1.0	-49.92	364.82	5.92	-44.00
N#CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CCC1(F)F	REAL300020308079	0	46	-1.0	-44.17	382.45	8.16	-36.01
N#CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CCC1(F)F	REAL300020308079	1	46	-1.0	-44.13	382.51	8.17	-35.96
N#CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CCC1(F)F	REAL300020308080	0	43	-1.0	-43.75	356.41	7.14	-36.61
N#CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CCC1(F)F	REAL300020308080	1	43	-1.0	-43.77	356.47	7.16	-36.61
O=C1CC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)C(O)CN1	REAL300020308081	0	51	-1.0	-50.05	396.09	1.83	-48.22
O=C1CC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)C(O)CN1	REAL300020308081	1	51	-1.0	-50.06	396.15	1.84	-48.22
O=C1CC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)C(O)CN1	REAL300020308082	0	48	-1.0	-52.13	378.90	0.95	-51.18
O=C1CC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)C(O)CN1	REAL300020308082	1	48	-1.0	-52.16	378.95	0.98	-51.18
COC(=O)CCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020308083	0	48	-1.0	-44.33	393.25	7.81	-36.52
COC(=O)CCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020308083	1	48	-1.0	-44.32	393.31	7.83	-36.49
COC(=O)CCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020308084	0	45	-1.0	-47.05	377.24	6.96	-40.09
COC(=O)CCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020308084	1	45	-1.0	-47.04	377.30	6.98	-40.06
CCN(CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CCF)C1=CC=CC=C1	REAL300020308085	0	53	-1.0	-40.75	428.52	9.68	-31.07
CCN(CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CCF)C1=CC=CC=C1	REAL300020308085	1	53	-1.0	-40.77	428.57	9.69	-31.08
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CCC2=N[N-]N=N2)N1CCF	REAL300020308086	0	46	-1.0	-40.72	377.66	8.46	-32.26
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CCC2=NN=N[N-]2)N1CCF	REAL300020308086	1	46	-1.0	-40.69	377.72	8.47	-32.22
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CC2=NN=N[N-]2)N1CCF	REAL300020308087	0	43	-1.0	-42.89	353.40	7.53	-35.36
CC1C2=CC(F)=CC=C2CCN1C1=NN=C(CC2=N[N-]N=N2)N1CCF	REAL300020308087	1	43	-1.0	-42.87	353.35	7.52	-35.35
O=C1NC2=C(CN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)C(=O)N1	REAL300020308088	0	40	-1.0	-47.76	347.18	1.35	-46.41
O=C1NC2=C(CN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)C(=O)N1	REAL300020308088	1	40	-1.0	-47.77	347.24	1.36	-46.41
O=C1NC2=C(CN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)C(=O)N1	REAL300020308089	0	37	-1.0	-46.21	329.61	0.57	-45.64
O=C1NC2=C(CN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)C(=O)N1	REAL300020308089	1	37	-1.0	-46.25	329.54	0.55	-45.70
O=C1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC2COCCN12	REAL300020308090	0	45	-1.0	-41.73	367.47	3.55	-38.18
O=C1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC2COCCN12	REAL300020308090	1	45	-1.0	-41.75	367.53	3.57	-38.18
O=C1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC2COCCN12	REAL300020308091	0	42	-1.0	-41.02	349.75	2.88	-38.14
O=C1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC2COCCN12	REAL300020308091	1	42	-1.0	-41.01	349.81	2.90	-38.11
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020308092	0	40	-1.0	-39.09	334.37	7.29	-31.80
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020308092	1	40	-1.0	-39.06	334.42	7.30	-31.76
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020308093	0	37	-1.0	-39.95	312.87	6.50	-33.45
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020308093	1	37	-1.0	-39.93	312.92	6.53	-33.40
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020308094	0	44	-1.0	-41.94	357.70	9.42	-32.52
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020308094	1	44	-1.0	-41.86	357.71	9.41	-32.45
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020308095	0	38	-1.0	-43.39	307.90	3.47	-39.92
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020308095	1	38	-1.0	-43.41	307.96	3.48	-39.93
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020308096	0	42	-1.0	-45.07	337.43	5.32	-39.75
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020308096	1	42	-1.0	-44.98	337.48	5.30	-39.68
O=C1NCC2(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)CC2)N1	REAL300020308097	0	46	-1.0	-47.89	375.26	2.40	-45.49
O=C1NCC2(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)CC2)N1	REAL300020308097	1	46	-1.0	-47.91	375.32	2.41	-45.50
O=C1NCC2(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)CC2)N1	REAL300020308098	0	43	-1.0	-49.44	353.79	1.61	-47.83
O=C1NCC2(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)CC2)N1	REAL300020308098	1	43	-1.0	-49.45	353.85	1.64	-47.81
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1F	REAL300020308099	0	45	-1.0	-41.11	377.90	7.07	-34.04
COC(=O)[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1F	REAL300020308099	1	45	-1.0	-41.14	377.95	7.09	-34.05
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1F	REAL300020308100	0	42	-1.0	-42.49	360.39	6.35	-36.14
COC(=O)[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1F	REAL300020308100	1	42	-1.0	-42.53	360.44	6.38	-36.15
COC(=O)COCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)CC1	REAL300020308101	0	52	-1.0	-46.81	432.87	7.67	-39.14
COC(=O)COCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)CC1	REAL300020308101	1	52	-1.0	-46.79	432.93	7.69	-39.10
COC(=O)COCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)CC1	REAL300020308102	0	49	-1.0	-47.98	408.23	7.00	-40.98
COC(=O)COCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)CC1	REAL300020308102	1	49	-1.0	-47.99	408.29	7.02	-40.97
CC(C)CN1C=CC(NC2=NN=C(CCC3=NN=N[N-]3)N2CCF)=N1	REAL300020308103	0	45	-1.0	-42.90	374.54	9.83	-33.07
CC(C)CN1C=CC(NC2=NN=C(CCC3=N[N-]N=N3)N2CCF)=N1	REAL300020308103	1	45	-1.0	-42.91	374.49	9.82	-33.09
CC(C)CN1C=CC(NC2=NN=C(CC3=NN=N[N-]3)N2CCF)=N1	REAL300020308104	0	42	-1.0	-44.78	352.99	9.06	-35.72
CC(C)CN1C=CC(NC2=NN=C(CC3=N[N-]N=N3)N2CCF)=N1	REAL300020308104	1	42	-1.0	-44.77	352.93	9.03	-35.74
CC(C)CN1C=CC(NC2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)=N1	REAL300020308105	0	49	-1.0	-44.75	407.34	11.73	-33.02
CC(C)CN1C=CC(NC2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)=N1	REAL300020308105	1	49	-1.0	-44.80	407.29	11.74	-33.06
CC(=O)NCC1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C1	REAL300020308106	0	46	-1.0	-48.55	374.01	4.45	-44.10
CC(=O)NCC1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C1	REAL300020308106	1	46	-1.0	-48.57	374.06	4.46	-44.11
CC(=O)NCC1CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020308107	0	43	-1.0	-50.83	356.29	3.85	-46.98
CC(=O)NCC1CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020308107	1	43	-1.0	-50.87	356.35	3.88	-46.99
CC(=O)NCC1CCN(C2=NN=C(C3=CC=C(C4=N[N-]N=N4)C=C3)N2CCF)C1	REAL300020308108	0	50	-1.0	-49.55	405.96	6.44	-43.11
CC(=O)NCC1CCN(C2=NN=C(C3=CC=C(C4=NN=N[N-]4)C=C3)N2CCF)C1	REAL300020308108	1	50	-1.0	-49.57	405.99	6.43	-43.14
FCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020308109	0	42	-1.0	-40.96	331.22	3.82	-37.14
FCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020308109	1	42	-1.0	-40.97	331.28	3.83	-37.14
FCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020308110	0	39	-1.0	-40.98	316.22	3.19	-37.79
FCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020308110	1	39	-1.0	-41.00	316.27	3.21	-37.79
FCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020308111	0	46	-1.0	-42.27	367.96	6.12	-36.15
FCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020308111	1	46	-1.0	-42.23	368.01	6.12	-36.11
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=N[N-]N=N3)N2CCF)C[C@H]1C(C)C	REAL300020308112	0	51	-1.0	-42.05	401.69	7.77	-34.28
COC(=O)[C@@H]1CN(C2=NN=C(CCC3=NN=N[N-]3)N2CCF)C[C@H]1C(C)C	REAL300020308112	1	51	-1.0	-42.05	401.75	7.79	-34.26
COC(=O)[C@@H]1CN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C[C@H]1C(C)C	REAL300020308113	0	48	-1.0	-42.98	379.61	7.23	-35.75
COC(=O)[C@@H]1CN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C[C@H]1C(C)C	REAL300020308113	1	48	-1.0	-43.03	379.67	7.25	-35.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020308114	0	44	-1.0	-40.56	372.25	9.19	-31.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020308114	1	44	-1.0	-40.51	372.31	9.20	-31.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020308115	0	41	-1.0	-42.30	357.08	8.33	-33.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020308115	1	41	-1.0	-42.26	357.02	8.30	-33.96
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020308116	0	48	-1.0	-41.86	398.69	11.11	-30.75
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1	REAL300020308116	1	48	-1.0	-41.76	398.73	11.10	-30.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=CC=C1	REAL300020308117	0	50	-1.0	-42.26	396.80	9.17	-33.09
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=CC=C1	REAL300020308117	1	50	-1.0	-42.23	396.85	9.19	-33.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=CC=C1	REAL300020308118	0	47	-1.0	-47.26	388.84	8.73	-38.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=CC=C1	REAL300020308118	1	47	-1.0	-47.27	388.77	8.71	-38.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020308119	0	45	-1.0	-43.90	399.53	8.50	-35.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CS1	REAL300020308119	1	45	-1.0	-43.85	399.48	8.47	-35.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020308120	0	54	-1.0	-41.96	442.18	9.38	-32.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020308120	1	54	-1.0	-41.99	442.24	9.39	-32.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020308121	0	51	-1.0	-45.67	419.46	8.41	-37.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CCC1=CC=CC=C1	REAL300020308121	1	51	-1.0	-45.69	419.52	8.44	-37.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020308122	0	54	0.0	-69.71	409.53	10.06	-59.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020308122	1	54	0.0	-68.29	411.31	11.28	-57.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300020308122	1	54	0.0	-69.74	409.59	10.08	-59.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300020308122	1	54	0.0	-68.28	411.37	11.30	-56.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020308123	0	49	-1.0	-45.13	411.69	7.18	-37.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020308123	1	49	-1.0	-45.12	411.75	7.19	-37.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020308124	0	46	-1.0	-47.90	394.47	6.59	-41.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020308124	1	46	-1.0	-47.94	394.52	6.62	-41.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020308125	0	47	-1.0	-40.96	363.73	8.53	-32.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020308125	1	47	-1.0	-40.95	363.79	8.54	-32.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCCC1	REAL300020308126	0	44	-1.0	-43.19	352.02	7.78	-35.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCCC1	REAL300020308126	1	44	-1.0	-43.14	351.97	7.75	-35.39
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCCC1	REAL300020308127	0	51	-1.0	-42.12	391.18	10.46	-31.66
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCCC1	REAL300020308127	1	51	-1.0	-42.16	391.22	10.45	-31.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020308128	0	51	-1.0	-42.68	421.53	9.45	-33.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020308128	1	51	-1.0	-42.68	421.58	9.47	-33.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020308129	0	48	-1.0	-44.63	403.44	9.00	-35.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(SCC)C1	REAL300020308129	1	48	-1.0	-44.61	403.50	9.02	-35.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSCC	REAL300020308130	0	50	-1.0	-40.24	405.66	9.71	-30.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSCC	REAL300020308130	1	50	-1.0	-40.27	405.72	9.72	-30.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSCC	REAL300020308131	0	47	-1.0	-41.53	397.22	9.10	-32.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSCC	REAL300020308131	1	47	-1.0	-41.58	397.27	9.12	-32.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(S(C)=O)C=C1	REAL300020308132	0	49	-1.0	-53.44	427.39	7.07	-46.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(S(C)=O)C=C1	REAL300020308132	1	49	-1.0	-53.48	427.45	7.10	-46.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCCCC)C1(C)C	REAL300020308133	0	57	-1.0	-41.80	454.71	9.53	-32.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCCCC)C1(C)C	REAL300020308133	1	57	-1.0	-41.77	454.77	9.56	-32.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020308134	0	54	-1.0	-41.31	443.06	11.55	-29.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020308134	1	54	-1.0	-41.31	443.12	11.57	-29.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020308135	0	51	-1.0	-43.03	416.80	10.66	-32.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(C)C=C2)CC1C	REAL300020308135	1	51	-1.0	-43.03	416.85	10.69	-32.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020308136	0	48	-1.0	-40.16	400.76	10.15	-30.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020308136	1	48	-1.0	-40.13	400.81	10.16	-29.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020308137	0	45	-1.0	-44.85	372.39	8.34	-36.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(C)=C2C1	REAL300020308137	1	45	-1.0	-44.82	372.33	8.31	-36.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OCCC)=CC=C2C1	REAL300020308138	0	52	-1.0	-43.71	428.29	10.02	-33.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OCCC)=CC=C2C1	REAL300020308138	1	52	-1.0	-43.67	428.34	10.03	-33.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=NN(CC#C)C=C1	REAL300020308139	0	50	-1.0	-47.14	435.35	6.87	-40.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=NN(CC#C)C=C1	REAL300020308139	1	50	-1.0	-47.13	435.40	6.90	-40.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020308140	0	54	-1.0	-41.09	421.69	8.22	-32.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020308140	1	54	-1.0	-41.09	421.75	8.23	-32.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020308141	0	51	-1.0	-45.98	396.73	7.45	-38.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCC(C)C1	REAL300020308141	1	51	-1.0	-45.99	396.77	7.47	-38.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020308142	0	49	-1.0	-41.54	390.49	8.27	-33.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020308142	1	49	-1.0	-41.55	390.55	8.29	-33.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020308143	0	46	-1.0	-43.70	366.56	7.55	-36.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020308143	1	46	-1.0	-43.74	366.50	7.53	-36.21
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(C)CC	REAL300020308144	0	53	-1.0	-41.65	418.34	10.56	-31.09
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(C)CC	REAL300020308144	1	53	-1.0	-41.58	418.37	10.56	-31.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020308145	0	48	-1.0	-43.16	395.68	9.15	-34.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020308145	1	48	-1.0	-43.14	395.74	9.17	-33.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020308146	0	45	-1.0	-49.07	370.94	8.58	-40.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C21	REAL300020308146	1	45	-1.0	-49.10	370.91	8.58	-40.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020308147	0	51	-1.0	-41.03	426.13	8.58	-32.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020308147	1	51	-1.0	-41.02	426.18	8.60	-32.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020308148	0	48	-1.0	-43.41	404.72	7.79	-35.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(OC)C=C1	REAL300020308148	1	48	-1.0	-43.39	404.66	7.78	-35.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020308149	0	51	-1.0	-41.44	405.12	9.47	-31.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020308149	1	51	-1.0	-41.49	405.18	9.48	-32.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020308150	0	48	-1.0	-46.29	392.59	10.65	-35.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C)C=C1	REAL300020308150	1	48	-1.0	-46.29	392.54	10.62	-35.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020308151	0	50	-1.0	-41.40	421.13	9.38	-32.02
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020308151	1	50	-1.0	-41.38	421.18	9.39	-31.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020308152	0	47	-1.0	-44.72	398.27	9.31	-35.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC2=CC=CC=C2O1	REAL300020308152	1	47	-1.0	-44.68	398.22	9.28	-35.40
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020308153	0	47	-1.0	-42.01	385.59	6.40	-35.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020308153	1	47	-1.0	-42.00	385.64	6.42	-35.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020308154	0	44	-1.0	-43.92	367.13	5.73	-38.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCCO2	REAL300020308154	1	44	-1.0	-43.91	367.19	5.76	-38.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020308155	0	39	-1.0	-39.26	343.30	7.15	-32.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020308155	1	39	-1.0	-39.28	343.36	7.17	-32.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSCC1	REAL300020308156	0	36	-1.0	-42.60	312.94	6.69	-35.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSCC1	REAL300020308156	1	36	-1.0	-42.61	312.89	6.66	-35.95
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1	REAL300020308157	0	43	-1.0	-40.94	370.04	9.11	-31.83
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1	REAL300020308157	1	43	-1.0	-40.86	370.08	9.10	-31.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C(C)C	REAL300020308158	0	43	-1.0	-41.07	347.76	6.54	-34.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C(C)C	REAL300020308158	1	43	-1.0	-41.06	347.82	6.56	-34.50
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C(C)C	REAL300020308159	0	47	-1.0	-42.30	376.49	8.51	-33.79
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C(C)C	REAL300020308159	1	47	-1.0	-42.29	376.51	8.48	-33.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020308160	0	46	-1.0	-42.52	405.53	10.81	-31.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300020308160	1	46	-1.0	-42.56	405.59	10.83	-31.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020308161	0	45	-1.0	-41.96	374.95	4.73	-37.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020308161	1	45	-1.0	-41.96	375.01	4.74	-37.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1	REAL300020308162	0	42	-1.0	-44.66	353.50	3.97	-40.69
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1	REAL300020308162	1	42	-1.0	-44.66	353.45	3.94	-40.72
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020308163	0	49	-1.0	-43.49	391.20	6.76	-36.73
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1	REAL300020308163	1	49	-1.0	-43.43	391.23	6.76	-36.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020308164	0	47	-1.0	-40.22	384.66	8.66	-31.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020308164	1	47	-1.0	-40.22	384.72	8.67	-31.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020308165	0	44	-1.0	-43.04	360.78	7.95	-35.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)C(C)C	REAL300020308165	1	44	-1.0	-43.04	360.72	7.92	-35.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020308166	0	52	-1.0	-45.40	424.52	9.05	-36.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020308166	1	52	-1.0	-45.44	424.58	9.07	-36.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020308167	0	49	-1.0	-43.73	403.28	7.78	-35.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C2CC2)CC1	REAL300020308167	1	49	-1.0	-43.70	403.33	7.80	-35.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020308168	0	49	-1.0	-41.30	402.88	6.42	-34.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020308168	1	49	-1.0	-41.28	402.93	6.44	-34.84
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020308169	0	46	-1.0	-44.88	387.06	6.22	-38.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(CC(F)(F)F)CC1	REAL300020308169	1	46	-1.0	-44.85	387.11	6.24	-38.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020308170	0	47	-1.0	-42.87	391.29	9.75	-33.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020308170	1	47	-1.0	-42.88	391.34	9.77	-33.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020308171	0	44	-1.0	-46.07	377.82	8.53	-37.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1F	REAL300020308171	1	44	-1.0	-46.05	377.78	8.51	-37.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020308172	0	52	-1.0	-43.17	436.33	10.67	-32.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C2CC2C)O1)C1CC1	REAL300020308172	1	52	-1.0	-43.16	436.39	10.68	-32.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C(C)C1=CC=CC=C1Cl)C1CC1	REAL300020308173	0	48	-1.0	-44.96	414.50	9.82	-35.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C(C)C1=CC=CC=C1Cl)C1CC1	REAL300020308173	1	48	-1.0	-44.95	414.45	9.79	-35.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020308174	0	49	-1.0	-40.95	393.06	6.97	-33.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020308174	1	49	-1.0	-40.95	393.12	6.98	-33.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020308175	0	46	-1.0	-43.53	381.00	6.68	-36.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOC1)C1CC1	REAL300020308175	1	46	-1.0	-43.52	381.06	6.70	-36.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020308176	0	51	-1.0	-43.99	432.91	11.86	-32.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC2=CC=CC=C2C=C1)C1CC1	REAL300020308176	1	51	-1.0	-43.96	432.80	11.83	-32.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020308177	0	48	-1.0	-39.47	425.64	10.82	-28.65
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020308177	1	48	-1.0	-39.49	425.70	10.84	-28.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020308178	0	45	-1.0	-41.32	404.21	10.05	-31.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(Cl)C=C1)C1CC1	REAL300020308178	1	45	-1.0	-41.32	404.13	10.03	-31.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020308179	0	48	-1.0	-41.05	407.28	10.34	-30.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020308179	1	48	-1.0	-41.09	407.34	10.36	-30.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020308180	0	45	-1.0	-43.68	388.83	9.42	-34.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1F)C1CC1	REAL300020308180	1	45	-1.0	-43.64	388.88	9.44	-34.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020308181	0	48	-1.0	-41.13	419.00	10.47	-30.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020308181	1	48	-1.0	-41.14	419.06	10.48	-30.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020308182	0	45	-1.0	-41.37	393.27	9.66	-31.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CC1	REAL300020308182	1	45	-1.0	-41.34	393.21	9.64	-31.70
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020308183	0	52	-1.0	-42.01	430.44	9.90	-32.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020308183	1	52	-1.0	-41.99	430.49	9.92	-32.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020308184	0	49	-1.0	-44.70	408.98	9.14	-35.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1OC)C1CC1	REAL300020308184	1	49	-1.0	-44.71	408.92	9.12	-35.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(CC)C=C1)C1CC1	REAL300020308185	0	54	-1.0	-40.09	443.21	11.47	-28.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(CC)C=C1)C1CC1	REAL300020308185	1	54	-1.0	-40.06	443.27	11.48	-28.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(CC)C=C1)C1CC1	REAL300020308186	0	51	-1.0	-42.73	430.34	10.97	-31.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(CC)C=C1)C1CC1	REAL300020308186	1	51	-1.0	-42.69	430.28	10.95	-31.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020308187	0	45	-1.0	-40.35	367.88	9.17	-31.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020308187	1	45	-1.0	-40.33	367.94	9.19	-31.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020308188	0	42	-1.0	-43.86	363.95	7.87	-35.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C1CC1	REAL300020308188	1	42	-1.0	-43.81	363.90	7.84	-35.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020308189	0	47	-1.0	-42.05	405.99	10.09	-31.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020308189	1	47	-1.0	-42.03	406.04	10.10	-31.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020308190	0	44	-1.0	-43.52	387.82	8.59	-34.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(Cl)=C1	REAL300020308190	1	44	-1.0	-43.55	387.76	8.57	-34.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020308191	0	53	-1.0	-40.46	410.11	8.86	-31.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020308191	1	53	-1.0	-40.44	410.17	8.87	-31.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020308192	0	50	-1.0	-45.16	382.95	8.07	-37.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CC)CC1	REAL300020308192	1	50	-1.0	-45.13	383.00	8.08	-37.05
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020308193	0	50	-1.0	-39.96	383.46	8.83	-31.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020308193	1	50	-1.0	-40.02	383.52	8.84	-31.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC(C)C1	REAL300020308194	0	47	-1.0	-42.09	368.97	8.50	-33.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC(C)C1	REAL300020308194	1	47	-1.0	-42.09	368.91	8.48	-33.61
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC(C)C1	REAL300020308195	0	54	-1.0	-42.06	416.30	11.10	-30.96
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC(C)C1	REAL300020308195	1	54	-1.0	-42.00	416.33	11.09	-30.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020308196	0	47	-1.0	-39.51	413.37	9.81	-29.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020308196	1	47	-1.0	-39.52	413.42	9.82	-29.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020308197	0	44	-1.0	-41.54	391.96	9.02	-32.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(Cl)C=C1	REAL300020308197	1	44	-1.0	-41.56	391.90	9.00	-32.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020308198	0	44	-1.0	-40.70	358.29	7.74	-32.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020308198	1	44	-1.0	-40.75	358.35	7.76	-32.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020308199	0	41	-1.0	-43.34	343.46	7.22	-36.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020308199	1	41	-1.0	-43.29	343.40	7.19	-36.10
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020308200	0	48	-1.0	-44.65	399.52	9.63	-35.02
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CO1	REAL300020308200	1	48	-1.0	-44.60	399.53	9.62	-34.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C	REAL300020308201	0	44	-1.0	-41.46	350.43	7.83	-33.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C	REAL300020308201	1	44	-1.0	-41.48	350.49	7.85	-33.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C	REAL300020308202	0	41	-1.0	-42.51	337.56	6.24	-36.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C	REAL300020308202	1	41	-1.0	-42.46	337.50	6.22	-36.24
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020308203	0	48	-1.0	-42.33	381.76	9.98	-32.35
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1C	REAL300020308203	1	48	-1.0	-42.32	381.80	9.97	-32.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C1(CC)CC	REAL300020308204	0	57	-1.0	-46.77	429.05	9.98	-36.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C1(CC)CC	REAL300020308204	1	57	-1.0	-46.74	429.11	10.00	-36.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)NCC)C1	REAL300020308205	0	49	-1.0	-51.93	404.75	3.25	-48.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)NCC)C1	REAL300020308205	1	49	-1.0	-51.95	404.81	3.27	-48.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)NCC)C1	REAL300020308206	0	46	-1.0	-55.25	386.76	2.66	-52.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)NCC)C1	REAL300020308206	1	46	-1.0	-55.22	386.82	2.69	-52.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020308207	0	47	-1.0	-39.55	403.55	8.76	-30.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020308207	1	47	-1.0	-39.56	403.61	8.78	-30.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020308208	0	44	-1.0	-41.77	378.02	8.05	-33.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(F)(F)F)CC1CC1	REAL300020308208	1	44	-1.0	-41.83	378.08	8.07	-33.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020308209	0	47	-1.0	-41.97	393.93	9.09	-32.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020308209	1	47	-1.0	-41.99	393.99	9.10	-32.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020308210	0	44	-1.0	-43.98	373.58	8.34	-35.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)CC1	REAL300020308210	1	44	-1.0	-43.94	373.64	8.36	-35.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020308211	0	48	-1.0	-43.03	399.22	8.99	-34.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020308211	1	48	-1.0	-43.08	399.28	9.01	-34.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020308212	0	45	-1.0	-45.48	372.11	8.22	-37.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1C	REAL300020308212	1	45	-1.0	-45.50	372.05	8.21	-37.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020308213	0	49	-1.0	-51.09	406.92	4.18	-46.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(S(C)(=O)=O)CC1	REAL300020308213	1	49	-1.0	-51.07	406.98	4.21	-46.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020308214	0	51	-1.0	-41.73	384.85	7.42	-34.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020308214	1	51	-1.0	-41.74	384.91	7.43	-34.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC21	REAL300020308215	0	48	-1.0	-43.99	369.22	6.77	-37.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC21	REAL300020308215	1	48	-1.0	-44.04	369.27	6.80	-37.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C12CCC2	REAL300020308216	0	55	-1.0	-42.03	441.59	9.18	-32.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C12CCC2	REAL300020308216	1	55	-1.0	-42.08	441.64	9.19	-32.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C12CCC2	REAL300020308217	0	52	-1.0	-42.00	419.59	8.42	-33.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C12CCC2	REAL300020308217	1	52	-1.0	-42.02	419.65	8.45	-33.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020308218	0	57	-1.0	-41.66	434.10	9.77	-31.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020308218	1	57	-1.0	-41.69	434.16	9.78	-31.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020308219	0	54	-1.0	-46.73	407.10	9.00	-37.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C1(CC)CC	REAL300020308219	1	54	-1.0	-46.75	407.16	9.03	-37.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020308220	0	45	-1.0	-44.49	382.17	8.65	-35.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020308220	1	45	-1.0	-44.45	382.22	8.67	-35.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020308221	0	42	-1.0	-47.87	361.13	7.91	-39.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C(F)=C2C1	REAL300020308221	1	42	-1.0	-47.89	361.08	7.88	-40.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020308222	0	57	-1.0	-41.98	432.05	10.60	-31.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020308222	1	57	-1.0	-41.99	432.11	10.62	-31.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020308223	0	54	-1.0	-43.42	415.71	10.06	-33.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCC1	REAL300020308223	1	54	-1.0	-43.36	415.77	10.09	-33.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020308224	0	50	-1.0	-42.71	402.95	10.24	-32.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020308224	1	50	-1.0	-42.69	403.01	10.26	-32.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020308225	0	47	-1.0	-42.01	384.93	8.87	-33.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1C	REAL300020308225	1	47	-1.0	-41.99	384.87	8.85	-33.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020308226	0	47	-1.0	-42.82	392.02	9.59	-33.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020308226	1	47	-1.0	-42.87	392.07	9.60	-33.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020308227	0	44	-1.0	-43.51	384.29	8.60	-34.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC(F)=CC=C1F	REAL300020308227	1	44	-1.0	-43.55	384.23	8.58	-34.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020308228	0	48	-1.0	-42.84	410.91	11.40	-31.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020308228	1	48	-1.0	-42.83	410.96	11.42	-31.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020308229	0	45	-1.0	-46.02	385.28	10.87	-35.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1Cl	REAL300020308229	1	45	-1.0	-45.97	385.23	10.85	-35.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020308230	0	48	-1.0	-42.11	400.45	9.31	-32.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020308230	1	48	-1.0	-42.16	400.51	9.32	-32.84
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020308231	0	45	-1.0	-42.46	382.47	9.02	-33.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(Cl)C=C1	REAL300020308231	1	45	-1.0	-42.46	382.42	8.99	-33.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020308232	0	48	-1.0	-42.99	410.25	11.21	-31.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020308232	1	48	-1.0	-43.01	410.31	11.22	-31.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020308233	0	45	-1.0	-41.65	377.28	9.15	-32.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(Cl)=C1	REAL300020308233	1	45	-1.0	-41.65	377.22	9.12	-32.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020308234	0	54	-1.0	-40.24	401.54	8.86	-31.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020308234	1	54	-1.0	-40.26	401.60	8.88	-31.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCC1	REAL300020308235	0	51	-1.0	-43.96	394.04	10.09	-33.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCC1	REAL300020308235	1	51	-1.0	-43.93	394.09	10.12	-33.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020308236	0	51	-1.0	-42.35	412.99	11.46	-30.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020308236	1	51	-1.0	-42.37	413.05	11.48	-30.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020308237	0	48	-1.0	-46.31	391.47	10.87	-35.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1C	REAL300020308237	1	48	-1.0	-46.35	391.41	10.85	-35.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020308238	0	51	-1.0	-42.86	414.93	11.37	-31.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020308238	1	51	-1.0	-42.88	414.98	11.38	-31.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020308239	0	48	-1.0	-42.64	382.45	9.15	-33.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1	REAL300020308239	1	48	-1.0	-42.62	382.40	9.11	-33.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020308240	0	45	-1.0	-40.56	390.74	9.29	-31.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020308240	1	45	-1.0	-40.52	390.79	9.30	-31.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020308241	0	42	-1.0	-43.03	367.19	8.70	-34.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CSC=C1	REAL300020308241	1	42	-1.0	-43.03	367.13	8.67	-34.36
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020308242	0	50	-1.0	-41.27	413.08	9.76	-31.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020308242	1	50	-1.0	-41.26	413.14	9.78	-31.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020308243	0	47	-1.0	-53.42	388.11	8.21	-45.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C(C)C	REAL300020308243	1	47	-1.0	-53.39	388.05	8.18	-45.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020308244	0	50	-1.0	-40.29	413.35	9.75	-30.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020308244	1	50	-1.0	-40.30	413.41	9.76	-30.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020308245	0	47	-1.0	-41.85	389.03	8.85	-33.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C(C)C	REAL300020308245	1	47	-1.0	-41.84	388.97	8.83	-33.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020308246	0	50	-1.0	-41.79	407.85	10.99	-30.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020308246	1	50	-1.0	-41.83	407.91	11.00	-30.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020308247	0	47	-1.0	-42.30	391.27	9.67	-32.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1C	REAL300020308247	1	47	-1.0	-42.28	391.22	9.65	-32.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC(Cl)=C1	REAL300020308248	0	47	-1.0	-40.41	412.15	9.86	-30.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC(Cl)=C1	REAL300020308248	1	47	-1.0	-40.39	412.21	9.87	-30.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC(Cl)=C1	REAL300020308249	0	44	-1.0	-42.21	383.54	8.73	-33.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC(Cl)=C1	REAL300020308249	1	44	-1.0	-42.20	383.49	8.71	-33.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1Cl	REAL300020308250	0	47	-1.0	-42.54	393.90	9.28	-33.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1Cl	REAL300020308250	1	47	-1.0	-42.47	393.96	9.30	-33.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1Cl	REAL300020308251	0	44	-1.0	-46.82	382.12	8.71	-38.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1Cl	REAL300020308251	1	44	-1.0	-46.85	382.06	8.68	-38.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020308252	0	47	-1.0	-43.03	415.62	10.18	-32.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300020308252	1	47	-1.0	-43.05	415.68	10.20	-32.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020308253	0	47	-1.0	-43.00	415.05	10.28	-32.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300020308253	1	47	-1.0	-43.04	414.99	10.25	-32.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020308254	0	47	-1.0	-44.40	395.17	9.18	-35.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300020308254	1	47	-1.0	-44.34	395.11	9.15	-35.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCC)C(C)C	REAL300020308255	0	52	-1.0	-41.27	412.25	8.84	-32.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCC)C(C)C	REAL300020308255	1	52	-1.0	-41.32	412.31	8.86	-32.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCC)C(C)C	REAL300020308256	0	49	-1.0	-44.34	390.83	8.08	-36.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCC)C(C)C	REAL300020308256	1	49	-1.0	-44.30	390.77	8.06	-36.24
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCCC)C(C)C	REAL300020308257	0	56	-1.0	-42.40	440.93	10.81	-31.59
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCCC)C(C)C	REAL300020308257	1	56	-1.0	-42.42	440.93	10.79	-31.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020308258	0	50	-1.0	-40.58	423.40	10.21	-30.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020308258	1	50	-1.0	-40.55	423.46	10.22	-30.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020308259	0	47	-1.0	-49.50	398.45	8.67	-40.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Cl)=C1)C(C)C	REAL300020308259	1	47	-1.0	-49.48	398.40	8.63	-40.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)C=C1	REAL300020308260	0	47	-1.0	-40.01	400.87	9.58	-30.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)C=C1	REAL300020308260	1	47	-1.0	-40.02	400.93	9.59	-30.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)C=C1	REAL300020308261	0	44	-1.0	-42.32	387.72	9.83	-32.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)C=C1	REAL300020308261	1	44	-1.0	-42.34	387.65	9.81	-32.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020308262	0	47	-1.0	-39.76	388.84	9.49	-30.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020308262	1	47	-1.0	-39.77	388.89	9.50	-30.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020308263	0	44	-1.0	-42.46	368.75	8.50	-33.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)C(C)C	REAL300020308263	1	44	-1.0	-42.42	368.67	8.47	-33.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020308264	0	49	-1.0	-41.83	407.46	5.45	-36.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020308264	1	49	-1.0	-41.89	407.52	5.47	-36.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020308265	0	46	-1.0	-44.19	380.27	4.78	-39.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N1CCOCC1	REAL300020308265	1	46	-1.0	-44.18	380.33	4.80	-39.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020308266	0	44	-1.0	-51.14	379.99	3.62	-47.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020308266	1	44	-1.0	-51.15	380.04	3.64	-47.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020308267	0	41	-1.0	-48.24	346.05	3.37	-44.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020308267	1	41	-1.0	-48.24	346.10	3.40	-44.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020308268	0	51	-1.0	-43.05	433.54	8.33	-34.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020308268	1	51	-1.0	-43.03	433.60	8.34	-34.69
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020308269	0	48	-1.0	-45.25	412.11	7.56	-37.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=C(C)C=C1	REAL300020308269	1	48	-1.0	-45.30	412.16	7.58	-37.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2C1	REAL300020308270	0	50	-1.0	-49.25	405.27	7.02	-42.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(OC)C=C2C1	REAL300020308270	1	50	-1.0	-49.23	405.33	7.04	-42.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020308271	0	47	-1.0	-51.21	391.75	4.47	-46.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020308271	1	47	-1.0	-51.24	391.81	4.48	-46.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020308272	0	44	-1.0	-49.24	360.58	4.02	-45.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCS(=O)(=O)C1	REAL300020308272	1	44	-1.0	-49.24	360.63	4.05	-45.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020308273	0	51	-1.0	-43.22	424.04	8.48	-34.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=C(C)C=CC=C1C	REAL300020308273	1	51	-1.0	-43.21	424.09	8.50	-34.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1COC2=CC=CC=C2O1	REAL300020308274	0	50	-1.0	-44.98	404.47	7.66	-37.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1COC2=CC=CC=C2O1	REAL300020308274	1	50	-1.0	-45.05	404.52	7.67	-37.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020308275	0	51	-1.0	-43.60	421.62	8.28	-35.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC(C)=C1C	REAL300020308275	1	51	-1.0	-43.61	421.68	8.30	-35.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC=C1CC	REAL300020308276	0	51	-1.0	-44.68	428.73	8.50	-36.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC=C1CC	REAL300020308276	1	51	-1.0	-44.64	428.79	8.52	-36.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020308277	0	50	-1.0	-40.56	391.96	8.28	-32.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020308277	1	50	-1.0	-40.55	392.01	8.29	-32.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)CC1	REAL300020308278	0	47	-1.0	-42.48	370.45	7.48	-35.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)CC1	REAL300020308278	1	47	-1.0	-42.43	370.50	7.51	-34.92
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC(C)CC1	REAL300020308279	0	54	-1.0	-42.04	415.05	10.87	-31.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC(C)CC1	REAL300020308279	1	54	-1.0	-41.99	415.10	10.86	-31.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CS1	REAL300020308280	0	44	-1.0	-39.69	385.77	8.58	-31.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CS1	REAL300020308280	1	44	-1.0	-39.74	385.83	8.60	-31.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CS1	REAL300020308281	0	41	-1.0	-42.25	367.31	8.02	-34.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CS1	REAL300020308281	1	41	-1.0	-42.24	367.26	7.99	-34.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020308282	0	50	-1.0	-41.43	427.33	8.12	-33.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020308282	1	50	-1.0	-41.50	427.39	8.13	-33.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020308283	0	47	-1.0	-44.27	399.82	7.44	-36.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(O)C=C2)CC1	REAL300020308283	1	47	-1.0	-44.31	399.88	7.47	-36.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020308284	0	49	-1.0	-46.55	416.69	10.54	-36.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020308284	1	49	-1.0	-46.56	416.75	10.56	-36.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020308285	0	46	-1.0	-48.37	407.74	9.82	-38.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300020308285	1	46	-1.0	-48.41	407.80	9.84	-38.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC#C)CC1	REAL300020308286	0	50	-1.0	-43.93	428.40	6.93	-37.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC#C)CC1	REAL300020308286	1	50	-1.0	-43.94	428.46	6.94	-37.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC#C)CC1	REAL300020308287	0	47	-1.0	-45.22	406.94	6.13	-39.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC#C)CC1	REAL300020308287	1	47	-1.0	-45.23	407.00	6.15	-39.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020308288	0	49	-1.0	-53.07	402.06	5.63	-47.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020308288	1	49	-1.0	-53.10	402.11	5.64	-47.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020308289	0	46	-1.0	-52.92	393.68	5.03	-47.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(=O)(=O)CC	REAL300020308289	1	46	-1.0	-52.96	393.74	5.04	-47.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020308290	0	49	-1.0	-49.82	398.06	5.50	-44.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020308290	1	49	-1.0	-49.85	398.12	5.51	-44.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020308291	0	46	-1.0	-52.21	384.42	4.54	-47.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)S(C)(=O)=O	REAL300020308291	1	46	-1.0	-52.19	384.47	4.56	-47.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020308292	0	48	-1.0	-43.62	395.63	9.44	-34.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020308292	1	48	-1.0	-43.60	395.68	9.46	-34.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020308293	0	45	-1.0	-44.34	377.88	8.82	-35.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(F)=C2C1C	REAL300020308293	1	45	-1.0	-44.32	377.83	8.80	-35.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC21	REAL300020308294	0	42	-1.0	-41.66	338.39	6.34	-35.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC21	REAL300020308294	1	42	-1.0	-41.66	338.45	6.36	-35.30
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCCC21	REAL300020308295	0	46	-1.0	-42.83	366.71	8.23	-34.60
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCCC21	REAL300020308295	1	46	-1.0	-42.80	366.76	8.23	-34.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CCC1=CC=CC(F)=C1	REAL300020308296	0	53	-1.0	-42.70	439.85	10.66	-32.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CCC1=CC=CC(F)=C1	REAL300020308296	1	53	-1.0	-42.70	439.91	10.68	-32.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CCC1=CC=CC(F)=C1	REAL300020308297	0	50	-1.0	-45.24	407.55	9.83	-35.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CCC1=CC=CC(F)=C1	REAL300020308297	1	50	-1.0	-45.28	407.60	9.84	-35.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020308298	0	51	-1.0	-42.11	436.56	11.57	-30.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020308298	1	51	-1.0	-42.11	436.62	11.59	-30.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020308299	0	48	-1.0	-45.16	403.78	10.27	-34.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC(F)=C1)C1CC1	REAL300020308299	1	48	-1.0	-45.13	403.84	10.29	-34.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020308300	0	56	-1.0	-40.08	418.47	9.69	-30.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020308300	1	56	-1.0	-40.10	418.53	9.70	-30.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020308301	0	53	-1.0	-43.02	396.66	9.06	-33.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)CC1	REAL300020308301	1	53	-1.0	-43.02	396.71	9.08	-33.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020308302	0	53	-1.0	-40.06	398.26	9.86	-30.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020308302	1	53	-1.0	-40.09	398.31	9.88	-30.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020308303	0	50	-1.0	-41.52	381.51	9.20	-32.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)CC1	REAL300020308303	1	50	-1.0	-41.51	381.57	9.23	-32.28
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C#C	REAL300020308304	0	43	-1.0	-41.57	362.63	9.32	-32.25
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C#C	REAL300020308304	1	43	-1.0	-41.52	362.71	9.30	-32.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020308305	0	58	0.0	-69.07	439.16	7.78	-61.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020308305	1	58	0.0	-68.63	437.55	7.94	-60.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020308305	1	58	0.0	-69.03	439.22	7.80	-61.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020308305	1	58	0.0	-68.64	437.61	7.96	-60.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020308306	0	55	0.0	-68.54	421.66	7.33	-61.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020308306	1	55	0.0	-68.51	412.18	7.21	-61.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	REAL300020308306	1	55	0.0	-68.51	421.72	7.36	-61.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	REAL300020308306	1	55	0.0	-68.47	412.16	7.23	-61.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020308307	0	49	-1.0	-41.22	409.53	8.90	-32.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020308307	1	49	-1.0	-41.22	409.59	8.91	-32.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020308308	0	46	-1.0	-44.91	381.94	8.25	-36.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2OC)C1	REAL300020308308	1	46	-1.0	-44.90	381.88	8.23	-36.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020308309	0	50	-1.0	-39.13	384.09	10.05	-29.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020308309	1	50	-1.0	-39.11	384.15	10.06	-29.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)CC1	REAL300020308310	0	47	-1.0	-41.47	354.75	8.27	-33.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)CC1	REAL300020308310	1	47	-1.0	-41.50	354.70	8.24	-33.26
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020308311	0	54	-1.0	-40.24	416.09	12.08	-28.16
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)CC1	REAL300020308311	1	54	-1.0	-40.23	416.14	12.09	-28.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020308312	0	48	-1.0	-42.29	417.83	6.67	-35.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020308312	1	48	-1.0	-42.30	417.89	6.68	-35.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020308313	0	45	-1.0	-43.32	396.34	5.88	-37.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=NS2)CC1	REAL300020308313	1	45	-1.0	-43.33	396.39	5.91	-37.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)C1CC	REAL300020308314	0	54	-1.0	-45.04	419.80	10.46	-34.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)C1CC	REAL300020308314	1	54	-1.0	-45.05	419.87	10.48	-34.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020308315	0	54	-1.0	-40.98	432.94	10.74	-30.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020308315	1	54	-1.0	-40.98	433.00	10.76	-30.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020308316	0	51	-1.0	-43.55	416.24	10.07	-33.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1C	REAL300020308316	1	51	-1.0	-43.55	416.30	10.09	-33.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020308317	0	51	-1.0	-41.49	408.61	10.74	-30.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020308317	1	51	-1.0	-41.50	408.67	10.75	-30.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020308318	0	48	-1.0	-44.97	384.23	9.80	-35.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C	REAL300020308318	1	48	-1.0	-44.96	384.17	9.78	-35.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020308319	0	46	-1.0	-45.24	404.20	10.54	-34.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(Cl)=C2)CC1	REAL300020308319	1	46	-1.0	-45.22	404.25	10.57	-34.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020308320	0	54	-1.0	-42.72	436.02	12.06	-30.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020308320	1	54	-1.0	-42.73	436.08	12.08	-30.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020308321	0	51	-1.0	-46.65	412.91	11.55	-35.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1C	REAL300020308321	1	51	-1.0	-46.66	412.85	11.52	-35.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020308322	0	57	-1.0	-39.11	410.78	11.69	-27.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020308322	1	57	-1.0	-39.19	410.84	11.71	-27.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020308323	0	54	-1.0	-42.85	402.57	9.89	-32.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)CC1	REAL300020308323	1	54	-1.0	-42.86	402.62	9.91	-32.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C(C)C1=CC=C(Cl)C=C1	REAL300020308324	0	50	-1.0	-43.99	414.69	10.66	-33.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C(C)C1=CC=C(Cl)C=C1	REAL300020308324	1	50	-1.0	-44.01	414.74	10.69	-33.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020308325	0	45	-1.0	-40.79	367.67	8.04	-32.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020308325	1	45	-1.0	-40.77	367.75	8.05	-32.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020308326	0	42	-1.0	-43.55	356.89	8.74	-34.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020308326	1	42	-1.0	-43.55	356.81	8.71	-34.84
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020308327	0	49	-1.0	-42.56	403.25	10.04	-32.52
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1C	REAL300020308327	1	49	-1.0	-42.52	403.29	10.03	-32.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020308328	0	47	-1.0	-42.28	388.23	5.23	-37.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020308328	1	47	-1.0	-42.26	388.29	5.24	-37.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCO	REAL300020308329	0	44	-1.0	-43.64	374.03	4.35	-39.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCO	REAL300020308329	1	44	-1.0	-43.64	374.09	4.37	-39.27
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCCCO	REAL300020308330	0	51	-1.0	-42.80	423.89	7.12	-35.68
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCCCO	REAL300020308330	1	51	-1.0	-42.78	423.93	7.11	-35.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020308331	0	51	-1.0	-40.67	432.45	7.43	-33.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020308331	1	51	-1.0	-40.69	432.51	7.44	-33.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020308332	0	48	-1.0	-43.03	414.57	6.79	-36.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)O1	REAL300020308332	1	48	-1.0	-42.99	414.64	6.82	-36.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020308333	0	49	-1.0	-42.29	409.20	10.82	-31.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020308333	1	49	-1.0	-42.24	409.25	10.83	-31.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020308334	0	46	-1.0	-46.12	383.83	9.56	-36.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C2=CC=CC=C2)C1	REAL300020308334	1	46	-1.0	-46.08	383.77	9.54	-36.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC(C)=NS2)CC1	REAL300020308335	0	48	-1.0	-46.68	410.24	7.00	-39.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC(C)=NS2)CC1	REAL300020308335	1	48	-1.0	-46.67	410.29	7.03	-39.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020308336	0	47	-1.0	-40.36	383.02	7.80	-32.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020308336	1	47	-1.0	-40.37	383.08	7.82	-32.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CCC1C	REAL300020308337	0	44	-1.0	-43.07	358.53	6.86	-36.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CCC1C	REAL300020308337	1	44	-1.0	-43.03	358.47	6.83	-36.20
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CCC1C	REAL300020308338	0	51	-1.0	-41.42	411.22	9.76	-31.66
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CCC1C	REAL300020308338	1	51	-1.0	-41.40	411.27	9.75	-31.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)NC(=O)NC2=O)CC1	REAL300020308339	0	50	-1.0	-50.04	410.00	3.46	-46.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)NC(=O)NC2=O)CC1	REAL300020308339	1	50	-1.0	-50.04	410.05	3.47	-46.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020308340	0	48	-1.0	-42.10	387.60	8.91	-33.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020308340	1	48	-1.0	-42.14	387.65	8.92	-33.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020308341	0	45	-1.0	-44.97	370.21	8.95	-36.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1C	REAL300020308341	1	45	-1.0	-44.98	370.15	8.92	-36.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020308342	0	54	-1.0	-43.71	440.13	10.87	-32.84
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC1=CC=CC=C1	REAL300020308342	1	54	-1.0	-43.71	440.18	10.90	-32.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020308343	0	60	-1.0	-41.81	448.52	11.17	-30.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020308343	1	60	-1.0	-41.88	448.58	11.19	-30.69
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020308344	0	57	-1.0	-43.34	432.17	10.63	-32.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC1CCCCC1	REAL300020308344	1	57	-1.0	-43.30	432.23	10.66	-32.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020308345	0	48	-1.0	-49.29	403.59	8.39	-40.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(=O)OC)C=C2C1	REAL300020308345	1	48	-1.0	-49.31	403.65	8.41	-40.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020308346	0	54	-1.0	-47.86	433.58	6.58	-41.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020308346	1	54	-1.0	-47.87	433.63	6.60	-41.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020308347	0	51	-1.0	-49.21	416.28	5.42	-43.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(NC(C)=O)CC1	REAL300020308347	1	51	-1.0	-49.19	416.35	5.45	-43.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC1CC1	REAL300020308348	0	45	-1.0	-39.90	385.69	8.91	-30.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC1CC1	REAL300020308348	1	45	-1.0	-39.90	385.74	8.93	-30.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1CC1	REAL300020308349	0	42	-1.0	-42.44	351.26	7.96	-34.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1CC1	REAL300020308349	1	42	-1.0	-42.47	351.20	7.95	-34.52
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC=C)CC1CC1	REAL300020308350	0	49	-1.0	-42.58	399.79	10.10	-32.48
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC=C)CC1CC1	REAL300020308350	1	49	-1.0	-42.56	399.83	10.09	-32.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CCC1=CC=CO1	REAL300020308351	0	48	-1.0	-42.27	415.01	9.16	-33.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CCC1=CC=CO1	REAL300020308351	1	48	-1.0	-42.28	415.07	9.18	-33.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CCC1=CC=CO1	REAL300020308352	0	45	-1.0	-44.78	389.99	8.70	-36.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CCC1=CC=CO1	REAL300020308352	1	45	-1.0	-44.78	389.93	8.68	-36.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020308353	0	50	-1.0	-46.10	413.78	8.09	-38.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1C	REAL300020308353	1	50	-1.0	-46.12	413.83	8.12	-38.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020308354	0	47	-1.0	-48.40	393.71	9.17	-39.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020308354	1	47	-1.0	-48.42	393.77	9.18	-39.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020308355	0	44	-1.0	-48.25	372.98	8.42	-39.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=NN=CN1C	REAL300020308355	1	44	-1.0	-48.20	372.93	8.39	-39.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020308356	0	49	-1.0	-45.57	406.01	8.22	-37.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CC=C2F)CC1	REAL300020308356	1	49	-1.0	-45.62	405.96	8.20	-37.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020308357	0	48	-1.0	-44.86	408.43	10.32	-34.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300020308357	1	48	-1.0	-44.84	408.49	10.35	-34.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020308358	0	45	-1.0	-40.06	377.16	8.67	-31.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020308358	1	45	-1.0	-40.05	377.21	8.68	-31.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020308359	0	42	-1.0	-42.40	355.61	7.88	-34.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C)C(C1)C2(Cl)Cl	REAL300020308359	1	42	-1.0	-42.37	355.66	7.90	-34.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020308360	0	49	-1.0	-47.48	406.22	10.16	-37.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020308360	1	49	-1.0	-47.50	406.28	10.18	-37.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020308361	0	46	-1.0	-50.44	396.41	9.46	-40.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300020308361	1	46	-1.0	-50.40	396.48	9.48	-40.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020308362	0	42	-1.0	-44.91	346.69	11.08	-33.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020308362	1	42	-1.0	-44.91	346.75	11.10	-33.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C21	REAL300020308363	0	39	-1.0	-48.66	324.92	10.50	-38.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C21	REAL300020308363	1	39	-1.0	-48.62	324.86	10.48	-38.14
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020308364	0	46	-1.0	-45.91	379.11	13.19	-32.72
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C21	REAL300020308364	1	46	-1.0	-45.87	379.14	13.18	-32.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020308365	0	44	-1.0	-42.67	373.88	10.12	-32.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020308365	1	44	-1.0	-42.65	373.93	10.14	-32.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020308366	0	41	-1.0	-47.55	355.79	9.48	-38.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020308366	1	41	-1.0	-47.58	355.74	9.46	-38.12
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020308367	0	48	-1.0	-43.49	405.12	12.14	-31.35
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=C(C)C=C1	REAL300020308367	1	48	-1.0	-43.44	405.16	12.13	-31.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020308368	0	44	-1.0	-42.27	369.92	9.99	-32.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020308368	1	44	-1.0	-42.29	369.98	10.00	-32.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020308369	0	41	-1.0	-43.66	348.73	9.48	-34.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020308369	1	41	-1.0	-43.65	348.69	9.47	-34.18
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020308370	0	48	-1.0	-43.40	402.37	12.07	-31.33
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1	REAL300020308370	1	48	-1.0	-43.38	402.39	12.06	-31.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020308371	0	47	-1.0	-42.57	391.43	10.64	-31.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020308371	1	47	-1.0	-42.59	391.49	10.65	-31.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020308372	0	44	-1.0	-47.73	377.21	10.13	-37.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020308372	1	44	-1.0	-47.70	377.16	10.10	-37.60
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020308373	0	51	-1.0	-43.47	426.44	12.78	-30.69
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC(C)=CC(C)=C1	REAL300020308373	1	51	-1.0	-43.47	426.47	12.77	-30.70
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020308374	0	47	-1.0	-41.64	382.09	11.83	-29.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020308374	1	47	-1.0	-41.65	382.15	11.85	-29.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020308375	0	44	-1.0	-44.68	353.41	11.12	-33.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020308375	1	44	-1.0	-44.72	353.38	11.10	-33.62
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020308376	0	51	-1.0	-42.61	408.09	13.70	-28.91
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC(C)=C1C	REAL300020308376	1	51	-1.0	-42.56	408.09	13.69	-28.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020308377	0	50	-1.0	-41.84	408.74	11.23	-30.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020308377	1	50	-1.0	-41.86	408.79	11.24	-30.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020308378	0	47	-1.0	-46.83	391.21	10.58	-36.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(C(C)C)=C1	REAL300020308378	1	47	-1.0	-46.81	391.16	10.56	-36.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020308379	0	54	-1.0	-44.60	422.38	13.42	-31.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020308379	1	54	-1.0	-44.59	422.43	13.43	-31.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020308380	0	51	-1.0	-48.01	400.34	12.91	-35.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C21	REAL300020308380	1	51	-1.0	-47.97	400.28	12.88	-35.09
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020308381	0	48	-1.0	-45.42	384.54	12.29	-33.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020308381	1	48	-1.0	-45.44	384.59	12.31	-33.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020308382	0	45	-1.0	-48.89	362.49	11.78	-37.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=C(C)C=C21	REAL300020308382	1	45	-1.0	-48.89	362.44	11.76	-37.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020308383	0	52	-1.0	-43.45	412.29	13.45	-30.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020308383	1	52	-1.0	-43.43	412.34	13.46	-29.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020308384	0	49	-1.0	-46.50	390.86	12.68	-33.82
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)C2=CC=CC=C21	REAL300020308384	1	49	-1.0	-46.50	390.80	12.65	-33.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020308385	0	54	-1.0	-44.07	418.78	13.14	-30.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020308385	1	54	-1.0	-44.07	418.84	13.15	-30.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020308386	0	51	-1.0	-48.02	397.23	12.59	-35.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CC)(CC)C2=CC=CC=C21	REAL300020308386	1	51	-1.0	-48.07	397.14	12.59	-35.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020308387	0	45	-1.0	-44.99	368.16	11.75	-33.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020308387	1	45	-1.0	-44.95	368.22	11.76	-33.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020308388	0	42	-1.0	-48.62	346.31	11.16	-37.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020308388	1	42	-1.0	-48.62	346.25	11.15	-37.47
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020308389	0	49	-1.0	-45.80	400.50	13.86	-31.94
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC(C)=CC=C21	REAL300020308389	1	49	-1.0	-45.81	400.54	13.85	-31.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020308390	0	49	-1.0	-47.46	403.66	13.98	-33.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020308390	1	49	-1.0	-47.43	403.61	13.97	-33.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020308391	0	51	-1.0	-43.90	399.93	12.66	-31.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020308391	1	51	-1.0	-43.92	399.99	12.67	-31.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020308392	0	48	-1.0	-47.37	378.14	12.10	-35.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)C)C2=CC=CC=C21	REAL300020308392	1	48	-1.0	-47.35	378.07	12.08	-35.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020308393	0	50	-1.0	-42.48	412.66	11.37	-31.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020308393	1	50	-1.0	-42.52	412.72	11.38	-31.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020308394	0	47	-1.0	-47.78	394.59	10.73	-37.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(C(C)C)C=C1	REAL300020308394	1	47	-1.0	-47.76	394.53	10.70	-37.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020308395	0	49	-1.0	-47.55	401.41	14.06	-33.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C3=CC=CC=C3)C=CC=C21	REAL300020308395	1	49	-1.0	-47.59	401.35	14.04	-33.55
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020308396	0	46	-1.0	-44.48	378.67	12.41	-32.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020308396	1	46	-1.0	-44.46	378.73	12.42	-32.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020308397	0	43	-1.0	-48.34	356.98	11.82	-36.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC2)C2=CC=CC=C21	REAL300020308397	1	43	-1.0	-48.32	356.93	11.80	-36.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020308398	0	49	-1.0	-45.25	407.55	7.92	-37.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020308398	1	49	-1.0	-45.23	407.61	7.93	-37.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020308399	0	46	-1.0	-51.08	393.32	7.40	-43.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC(OC)=CC(OC)=C1	REAL300020308399	1	46	-1.0	-51.07	393.26	7.38	-43.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020308400	0	49	-1.0	-44.16	390.75	12.72	-31.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020308400	1	49	-1.0	-44.15	390.80	12.73	-31.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020308401	0	46	-1.0	-48.00	371.77	12.25	-35.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)C2=CC=CC=C21	REAL300020308401	1	46	-1.0	-48.01	371.70	12.23	-35.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020308402	0	54	-1.0	-43.50	418.15	13.05	-30.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020308402	1	54	-1.0	-43.49	418.21	13.07	-30.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020308403	0	51	-1.0	-48.05	393.05	12.37	-35.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(C)(C)C)C2=CC=CC=C21	REAL300020308403	1	51	-1.0	-48.06	393.00	12.34	-35.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020308404	0	51	-1.0	-44.05	423.99	10.32	-33.73
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020308404	1	51	-1.0	-44.04	424.05	10.34	-33.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020308405	0	48	-1.0	-49.37	403.84	9.65	-39.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(OC(C)C)C=C1	REAL300020308405	1	48	-1.0	-49.35	403.79	9.62	-39.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020308406	0	51	-1.0	-42.23	415.45	6.12	-36.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020308406	1	51	-1.0	-42.24	415.51	6.14	-36.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCO)CC1	REAL300020308407	0	48	-1.0	-45.01	393.94	5.35	-39.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCO)CC1	REAL300020308407	1	48	-1.0	-45.01	394.00	5.37	-39.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020308408	0	45	-1.0	-42.53	386.54	9.13	-33.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020308408	1	45	-1.0	-42.53	386.60	9.14	-33.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020308409	0	42	-1.0	-44.16	366.07	8.34	-35.82
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1	REAL300020308409	1	42	-1.0	-44.22	366.01	8.31	-35.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020308410	0	45	-1.0	-43.25	376.21	8.69	-34.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020308410	1	45	-1.0	-43.24	376.27	8.70	-34.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020308411	0	42	-1.0	-44.75	355.74	7.90	-36.85
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC=C2C1	REAL300020308411	1	42	-1.0	-44.77	355.69	7.87	-36.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020308412	0	49	-1.0	-43.94	419.22	8.77	-35.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)C(=O)C1	REAL300020308412	1	49	-1.0	-43.94	419.28	8.80	-35.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020308413	0	51	-1.0	-40.17	417.81	10.68	-29.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020308413	1	51	-1.0	-40.13	417.87	10.70	-29.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020308414	0	48	-1.0	-42.42	396.28	9.90	-32.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)(C)C1	REAL300020308414	1	48	-1.0	-42.43	396.22	9.88	-32.55
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020308415	0	44	-1.0	-42.57	379.24	7.12	-35.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020308415	1	44	-1.0	-42.58	379.30	7.14	-35.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020308416	0	41	-1.0	-43.23	351.80	6.50	-36.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)N=C2C1	REAL300020308416	1	41	-1.0	-43.26	351.74	6.47	-36.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC1	REAL300020308417	0	41	-1.0	-40.65	344.81	7.29	-33.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC1	REAL300020308417	1	41	-1.0	-40.67	344.87	7.31	-33.36
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1	REAL300020308418	0	45	-1.0	-42.19	368.80	9.38	-32.81
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCC1	REAL300020308418	1	45	-1.0	-42.20	368.84	9.36	-32.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020308419	0	47	-1.0	-48.46	390.74	4.30	-44.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020308419	1	47	-1.0	-48.43	390.80	4.32	-44.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020308420	0	44	-1.0	-50.29	369.24	3.52	-46.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)CC1	REAL300020308420	1	44	-1.0	-50.27	369.29	3.54	-46.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020308421	0	52	-1.0	-40.67	416.68	11.18	-29.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020308421	1	52	-1.0	-40.69	416.74	11.19	-29.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020308422	0	49	-1.0	-43.92	395.35	10.42	-33.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CCC2)C1	REAL300020308422	1	49	-1.0	-43.91	395.30	10.39	-33.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020308423	0	51	-1.0	-41.69	394.61	9.26	-32.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020308423	1	51	-1.0	-41.69	394.67	9.27	-32.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2CCCCC21	REAL300020308424	0	48	-1.0	-43.71	379.18	8.87	-34.84
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2CCCCC21	REAL300020308424	1	48	-1.0	-43.67	379.23	8.89	-34.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020308425	0	51	-1.0	-41.35	415.01	9.90	-31.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020308425	1	51	-1.0	-41.32	415.07	9.92	-31.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020308426	0	48	-1.0	-44.49	394.06	10.09	-34.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)CC1C	REAL300020308426	1	48	-1.0	-44.49	393.99	10.08	-34.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020308427	0	51	-1.0	-42.97	423.49	10.26	-32.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020308427	1	51	-1.0	-43.01	423.55	10.27	-32.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020308428	0	48	-1.0	-43.51	415.97	10.42	-33.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)CC1CC1	REAL300020308428	1	48	-1.0	-43.55	415.91	10.40	-33.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020308429	0	53	-1.0	-39.88	406.35	9.17	-30.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020308429	1	53	-1.0	-39.96	406.40	9.19	-30.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020308430	0	50	-1.0	-41.87	375.56	9.68	-32.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1CCCCC1	REAL300020308430	1	50	-1.0	-41.85	375.61	9.69	-32.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C)CC1	REAL300020308431	0	42	-1.0	-39.72	355.61	7.94	-31.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C)CC1	REAL300020308431	1	42	-1.0	-39.71	355.66	7.96	-31.75
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(C)CC1	REAL300020308432	0	46	-1.0	-41.65	373.31	9.97	-31.68
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(C)CC1	REAL300020308432	1	46	-1.0	-41.60	373.31	9.96	-31.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020308433	0	45	-1.0	-39.45	374.89	7.45	-32.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020308433	1	45	-1.0	-39.46	374.95	7.46	-32.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1C	REAL300020308434	0	42	-1.0	-41.32	356.80	6.52	-34.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1C	REAL300020308434	1	42	-1.0	-41.36	356.74	6.50	-34.86
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)C1C	REAL300020308435	0	49	-1.0	-40.86	403.18	9.41	-31.45
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)C1C	REAL300020308435	1	49	-1.0	-40.85	403.22	9.40	-31.45
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020308436	0	44	-1.0	-40.40	363.92	7.65	-32.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020308436	1	44	-1.0	-40.43	363.98	7.67	-32.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020308437	0	41	-1.0	-43.91	338.44	6.96	-36.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020308437	1	41	-1.0	-43.90	338.38	6.94	-36.96
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020308438	0	48	-1.0	-41.62	391.57	9.70	-31.92
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020308438	1	48	-1.0	-41.71	391.61	9.69	-32.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020308439	0	53	-1.0	-40.72	409.80	8.64	-32.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020308439	1	53	-1.0	-40.72	409.85	8.66	-32.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020308440	0	50	-1.0	-42.34	390.62	7.98	-34.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C)(C)CC1	REAL300020308440	1	50	-1.0	-42.37	390.68	8.00	-34.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC#C)CC#CC	REAL300020308441	0	41	-1.0	-41.51	361.53	8.64	-32.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC#C)CC#CC	REAL300020308441	1	41	-1.0	-41.48	361.59	8.65	-32.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC#C)CC#CC	REAL300020308442	0	38	-1.0	-43.10	347.03	7.80	-35.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC#C)CC#CC	REAL300020308442	1	38	-1.0	-43.13	346.69	7.76	-35.37
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC#C)CC#CC	REAL300020308443	0	45	-1.0	-41.98	397.77	10.61	-31.37
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC#C)CC#CC	REAL300020308443	1	45	-1.0	-41.93	397.83	10.59	-31.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(C)C1	REAL300020308444	0	45	-1.0	-40.75	364.24	7.97	-32.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(C)C1	REAL300020308444	1	45	-1.0	-40.76	364.30	7.98	-32.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(C)C1	REAL300020308445	0	42	-1.0	-43.31	342.72	7.20	-36.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(C)C1	REAL300020308445	1	42	-1.0	-43.35	342.66	7.17	-36.18
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)=C(C)C1	REAL300020308446	0	49	-1.0	-41.60	390.55	10.51	-31.09
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)=C(C)C1	REAL300020308446	1	49	-1.0	-41.53	390.57	10.51	-31.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CCC1	REAL300020308447	0	47	-1.0	-39.90	382.92	8.20	-31.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CCC1	REAL300020308447	1	47	-1.0	-39.89	382.98	8.22	-31.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CCC1	REAL300020308448	0	44	-1.0	-44.47	353.53	7.44	-37.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CCC1	REAL300020308448	1	44	-1.0	-44.48	353.48	7.42	-37.06
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CCC1	REAL300020308449	0	51	-1.0	-41.03	412.93	10.18	-30.85
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CCC1	REAL300020308449	1	51	-1.0	-41.03	412.98	10.17	-30.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020308450	0	46	-1.0	-40.74	361.17	8.47	-32.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020308450	1	46	-1.0	-40.76	361.23	8.49	-32.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C1C1CCC2C1	REAL300020308451	0	43	-1.0	-45.41	325.45	6.48	-38.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C1C1CCC2C1	REAL300020308451	1	43	-1.0	-45.40	325.40	6.46	-38.94
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020308452	0	50	-1.0	-41.82	393.46	10.55	-31.27
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C1C1CCC2C1	REAL300020308452	1	50	-1.0	-41.82	393.49	10.54	-31.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCSC	REAL300020308453	0	41	-1.0	-42.12	357.07	7.45	-34.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCSC	REAL300020308453	1	41	-1.0	-42.15	357.12	7.46	-34.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCSC	REAL300020308454	0	38	-1.0	-42.59	342.90	6.60	-35.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCSC	REAL300020308454	1	38	-1.0	-42.60	342.83	6.58	-36.02
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCSC	REAL300020308455	0	45	-1.0	-42.45	392.71	9.35	-33.10
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCSC	REAL300020308455	1	45	-1.0	-42.39	392.75	9.34	-33.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020308456	0	53	-1.0	-41.92	424.75	8.89	-33.03
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCN(C2=CC=CC=C2)C1	REAL300020308456	1	53	-1.0	-41.96	424.81	8.92	-33.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020308457	0	49	-1.0	-41.30	422.90	7.49	-33.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020308457	1	49	-1.0	-41.27	422.85	7.48	-33.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020308458	0	46	-1.0	-43.84	401.41	6.72	-37.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(C)S2)CC1	REAL300020308458	1	46	-1.0	-43.83	401.36	6.69	-37.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020308459	0	52	-1.0	-47.17	422.37	9.61	-37.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC(OC)=C1	REAL300020308459	1	52	-1.0	-47.15	422.32	9.58	-37.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020308460	0	51	-1.0	-42.68	422.53	11.49	-31.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020308460	1	51	-1.0	-42.68	422.59	11.50	-31.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020308461	0	48	-1.0	-44.43	402.63	10.83	-33.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C1=CC=CC=C1F	REAL300020308461	1	48	-1.0	-44.44	402.56	10.81	-33.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020308462	0	50	-1.0	-42.62	415.95	11.14	-31.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020308462	1	50	-1.0	-42.64	416.01	11.16	-31.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020308463	0	47	-1.0	-42.44	407.09	10.52	-31.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(Cl)C=C1	REAL300020308463	1	47	-1.0	-42.45	407.15	10.54	-31.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)CC1	REAL300020308464	0	50	-1.0	-39.87	385.30	9.23	-30.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)CC1	REAL300020308464	1	50	-1.0	-39.86	385.36	9.24	-30.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)CC1	REAL300020308465	0	47	-1.0	-42.17	372.71	8.51	-33.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)CC1	REAL300020308465	1	47	-1.0	-42.10	372.77	8.53	-33.57
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC)CC1	REAL300020308466	0	54	-1.0	-40.98	417.99	11.35	-29.63
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC)CC1	REAL300020308466	1	54	-1.0	-40.99	418.04	11.34	-29.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(SC)C1	REAL300020308467	0	48	-1.0	-42.40	380.00	9.25	-33.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(SC)C1	REAL300020308467	1	48	-1.0	-42.37	380.06	9.26	-33.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(SC)C1	REAL300020308468	0	45	-1.0	-45.26	372.61	8.38	-36.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(SC)C1	REAL300020308468	1	45	-1.0	-45.32	372.67	8.40	-36.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020308469	0	52	-1.0	-46.01	395.42	7.18	-38.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C(C)C1	REAL300020308469	1	52	-1.0	-46.00	395.48	7.21	-38.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020308470	0	50	-1.0	-39.41	381.92	9.82	-29.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020308470	1	50	-1.0	-39.44	381.98	9.83	-29.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C)(C)C1	REAL300020308471	0	47	-1.0	-42.22	364.46	9.20	-33.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C)(C)C1	REAL300020308471	1	47	-1.0	-42.25	364.41	9.18	-33.07
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020308472	0	54	-1.0	-42.11	409.50	10.29	-31.82
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(C)(C)C1	REAL300020308472	1	54	-1.0	-42.16	409.52	10.30	-31.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020308473	0	49	-1.0	-42.98	388.13	7.50	-35.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020308473	1	49	-1.0	-42.96	388.19	7.51	-35.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCO1	REAL300020308474	0	46	-1.0	-44.91	366.80	6.13	-38.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCO1	REAL300020308474	1	46	-1.0	-44.94	366.85	6.15	-38.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020308475	0	52	-1.0	-42.55	430.29	11.47	-31.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020308475	1	52	-1.0	-42.56	430.35	11.49	-31.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020308476	0	49	-1.0	-45.36	408.76	10.72	-34.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC(C)=C2)CC1	REAL300020308476	1	49	-1.0	-45.36	408.70	10.69	-34.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020308477	0	51	-1.0	-39.32	409.62	9.59	-29.73
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020308477	1	51	-1.0	-39.37	409.68	9.60	-29.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020308478	0	48	-1.0	-41.55	388.17	8.83	-32.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C)CC1	REAL300020308478	1	48	-1.0	-41.53	388.11	8.80	-32.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020308479	0	50	-1.0	-42.55	437.08	11.36	-31.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020308479	1	50	-1.0	-42.57	437.14	11.38	-31.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020308480	0	47	-1.0	-45.28	409.57	10.69	-34.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C#N)C=C2)CC1	REAL300020308480	1	47	-1.0	-45.27	409.63	10.71	-34.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020308481	0	52	-1.0	-40.46	400.11	7.44	-33.02
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020308481	1	52	-1.0	-40.49	400.16	7.46	-33.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020308482	0	49	-1.0	-42.61	382.30	6.78	-35.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOCC2)CC1	REAL300020308482	1	49	-1.0	-42.64	382.35	6.81	-35.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020308483	0	49	-1.0	-45.35	393.49	5.02	-40.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020308483	1	49	-1.0	-45.33	393.55	5.04	-40.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020308484	0	46	-1.0	-45.04	376.36	4.61	-40.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2CCCCC21	REAL300020308484	1	46	-1.0	-45.01	376.30	4.58	-40.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](C2CC2)CC1	REAL300020308485	0	51	0.0	-63.69	392.25	9.78	-53.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CC2)CC1	REAL300020308485	1	51	0.0	-62.05	396.23	8.98	-53.07
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](C2CCCC2)CC1	REAL300020308488	1	54	0.0	-58.97	394.52	9.41	-49.56
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C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C1CCC1	REAL300020308491	1	52	-1.0	-42.51	405.48	10.33	-32.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=C(F)C=CC=C1F	REAL300020308492	0	47	-1.0	-43.60	396.70	8.93	-34.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=C(F)C=CC=C1F	REAL300020308492	1	47	-1.0	-43.58	396.76	8.95	-34.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=C(F)C=CC=C1F	REAL300020308493	0	44	-1.0	-47.48	374.62	8.23	-39.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=C(F)C=CC=C1F	REAL300020308493	1	44	-1.0	-47.46	374.55	8.21	-39.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020308494	0	49	-1.0	-45.12	407.03	11.23	-33.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2=CC=CC=C2C1	REAL300020308494	1	49	-1.0	-45.09	406.97	11.22	-33.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020308495	0	54	-1.0	-39.99	413.17	10.82	-29.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020308495	1	54	-1.0	-40.01	413.23	10.84	-29.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020308496	0	51	-1.0	-43.64	402.88	9.33	-34.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCCCC1	REAL300020308496	1	51	-1.0	-43.67	402.94	9.35	-34.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020308497	0	46	-1.0	-46.70	396.38	9.79	-36.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=CC=C2Cl)CC1	REAL300020308497	1	46	-1.0	-46.75	396.44	9.82	-36.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020308498	0	52	-1.0	-46.32	424.76	10.67	-35.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC(C)=CC(C)=C2)CC1	REAL300020308498	1	52	-1.0	-46.32	424.81	10.68	-35.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(CC)C=C2)CC1	REAL300020308499	0	52	-1.0	-42.24	433.73	11.68	-30.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(CC)C=C2)CC1	REAL300020308499	1	52	-1.0	-42.26	433.78	11.70	-30.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)C1CC1	REAL300020308500	0	42	-1.0	-40.80	355.23	7.79	-33.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)C1CC1	REAL300020308500	1	42	-1.0	-40.79	355.29	7.80	-32.99
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC=C)C1CC1	REAL300020308501	0	46	-1.0	-42.02	384.98	9.86	-32.16
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC=C)C1CC1	REAL300020308501	1	46	-1.0	-41.97	385.03	9.84	-32.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020308502	0	51	-1.0	-44.18	402.65	10.63	-33.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300020308502	1	51	-1.0	-44.22	402.71	10.66	-33.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020308503	0	47	-1.0	-42.66	406.36	8.27	-34.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020308503	1	47	-1.0	-42.62	406.42	8.30	-34.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020308504	0	46	-1.0	-40.83	401.48	5.97	-34.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CNCN(C2=CC=C(Cl)C=C2)C1	REAL300020308504	1	46	-1.0	-40.86	401.55	5.99	-34.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020308505	0	47	-1.0	-42.66	406.36	8.27	-34.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020308505	1	47	-1.0	-42.62	406.42	8.30	-34.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020308506	0	49	-1.0	-42.71	421.10	10.43	-32.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020308506	1	49	-1.0	-42.67	421.16	10.45	-32.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020308507	0	46	-1.0	-43.41	408.27	9.92	-33.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C#N)C=C1)C1CC1	REAL300020308507	1	46	-1.0	-43.41	408.21	9.90	-33.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020308508	0	52	-1.0	-46.59	430.34	8.42	-38.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020308508	1	52	-1.0	-46.61	430.39	8.43	-38.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020308509	0	49	-1.0	-46.82	413.59	7.79	-39.03
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(COC)O1	REAL300020308509	1	49	-1.0	-46.84	413.64	7.82	-39.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(COC)C1	REAL300020308510	0	51	-1.0	-42.83	390.03	7.31	-35.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(COC)C1	REAL300020308510	1	51	-1.0	-42.84	390.08	7.32	-35.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(COC)C1	REAL300020308511	0	48	-1.0	-43.14	381.49	7.38	-35.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(COC)C1	REAL300020308511	1	48	-1.0	-43.15	381.56	7.40	-35.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1CC	REAL300020308512	0	47	-1.0	-40.27	375.47	7.55	-32.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1CC	REAL300020308512	1	47	-1.0	-40.30	375.52	7.57	-32.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1CC	REAL300020308513	0	44	-1.0	-42.75	354.03	6.79	-35.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1CC	REAL300020308513	1	44	-1.0	-42.74	353.98	6.77	-35.97
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1CC	REAL300020308514	0	51	-1.0	-41.33	403.14	9.52	-31.81
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1CC	REAL300020308514	1	51	-1.0	-41.32	403.19	9.51	-31.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(COC)CC1	REAL300020308515	0	46	-1.0	-40.80	387.27	7.25	-33.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(COC)CC1	REAL300020308515	1	46	-1.0	-40.77	387.33	7.26	-33.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(COC)CC1	REAL300020308516	0	43	-1.0	-43.38	359.86	6.59	-36.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(COC)CC1	REAL300020308516	1	43	-1.0	-43.39	359.79	6.56	-36.83
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=C(COC)CC1	REAL300020308517	0	50	-1.0	-42.57	403.00	9.01	-33.56
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=C(COC)CC1	REAL300020308517	1	50	-1.0	-42.59	403.04	9.00	-33.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1C	REAL300020308518	0	47	-1.0	-41.50	368.67	8.54	-32.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1C	REAL300020308518	1	47	-1.0	-41.50	368.73	8.56	-32.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1C	REAL300020308519	0	44	-1.0	-44.64	349.04	7.75	-36.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1C	REAL300020308519	1	44	-1.0	-44.59	348.98	7.73	-36.86
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)C1C	REAL300020308520	0	51	-1.0	-42.24	398.22	10.47	-31.77
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)C1C	REAL300020308520	1	51	-1.0	-42.21	398.24	10.46	-31.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020308521	0	51	-1.0	-40.50	419.77	10.72	-29.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020308521	1	51	-1.0	-40.48	419.83	10.74	-29.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020308522	0	48	-1.0	-43.40	392.22	10.08	-33.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=C(C)C=C2C1	REAL300020308522	1	48	-1.0	-43.41	392.16	10.05	-33.36
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020308523	0	54	-1.0	-40.70	425.20	11.48	-29.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020308523	1	54	-1.0	-40.70	425.26	11.49	-29.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020308524	0	51	-1.0	-42.98	395.39	11.19	-31.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC=C2)CC1	REAL300020308524	1	51	-1.0	-42.99	395.44	11.22	-31.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020308525	0	52	-1.0	-44.37	425.00	10.34	-34.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020308525	1	52	-1.0	-44.39	425.05	10.35	-34.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020308526	0	49	-1.0	-48.28	399.38	9.80	-38.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1OC	REAL300020308526	1	49	-1.0	-48.27	399.32	9.78	-38.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020308527	0	54	-1.0	-42.61	430.09	10.85	-31.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020308527	1	54	-1.0	-42.60	430.15	10.86	-31.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020308528	0	51	-1.0	-43.00	410.64	9.63	-33.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=C(C)C=C1	REAL300020308528	1	51	-1.0	-42.98	410.69	9.66	-33.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCSC	REAL300020308529	0	44	-1.0	-40.72	378.55	8.24	-32.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCSC	REAL300020308529	1	44	-1.0	-40.72	378.61	8.25	-32.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCSC	REAL300020308530	0	41	-1.0	-42.10	364.33	7.36	-34.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCSC	REAL300020308530	1	41	-1.0	-42.09	364.40	7.39	-34.70
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCSC	REAL300020308531	0	48	-1.0	-41.30	414.21	10.13	-31.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCSC	REAL300020308531	1	48	-1.0	-41.28	414.25	10.12	-31.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020308532	0	54	-1.0	-44.61	428.73	11.16	-33.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CCCC1	REAL300020308532	1	54	-1.0	-44.61	428.77	11.18	-33.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C#N)C=C1	REAL300020308533	0	49	-1.0	-46.69	418.98	7.90	-38.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C#N)C=C1	REAL300020308533	1	49	-1.0	-46.64	418.99	7.87	-38.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020308534	0	48	-1.0	-46.62	387.35	7.12	-39.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C2OCOC2=C1	REAL300020308534	1	48	-1.0	-46.58	387.29	7.11	-39.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020308535	0	50	-1.0	-40.80	405.87	8.37	-32.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020308535	1	50	-1.0	-40.80	405.93	8.39	-32.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020308536	0	47	-1.0	-44.00	377.23	7.63	-36.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=CC=CC=C2C1	REAL300020308536	1	47	-1.0	-43.96	377.16	7.62	-36.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020308537	0	48	-1.0	-40.38	392.76	9.91	-30.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020308537	1	48	-1.0	-40.37	392.82	9.93	-30.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020308538	0	45	-1.0	-44.07	370.90	9.32	-34.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2C1	REAL300020308538	1	45	-1.0	-44.03	370.84	9.31	-34.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020308539	0	42	-1.0	-40.83	343.05	5.31	-35.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020308539	1	42	-1.0	-40.85	343.11	5.33	-35.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOC1	REAL300020308540	0	39	-1.0	-43.30	313.04	4.70	-38.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOC1	REAL300020308540	1	39	-1.0	-43.29	312.97	4.69	-38.60
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020308541	0	46	-1.0	-42.16	374.96	7.44	-34.72
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCOC1	REAL300020308541	1	46	-1.0	-42.10	375.00	7.42	-34.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC#N	REAL300020308542	0	41	-1.0	-47.15	339.28	7.18	-39.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC#N	REAL300020308542	1	41	-1.0	-47.15	339.34	7.20	-39.95
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020308543	0	45	-1.0	-48.51	375.53	9.43	-39.08
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC#N	REAL300020308543	1	45	-1.0	-48.43	375.58	9.43	-39.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020308544	0	45	-1.0	-41.65	384.77	8.14	-33.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020308544	1	45	-1.0	-41.69	384.83	8.16	-33.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CC1CC1	REAL300020308545	0	42	-1.0	-42.63	348.55	7.35	-35.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CC1CC1	REAL300020308545	1	42	-1.0	-42.67	348.52	7.34	-35.33
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020308546	0	49	-1.0	-43.57	412.47	10.17	-33.40
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CC1CC1	REAL300020308546	1	49	-1.0	-43.48	412.43	10.17	-33.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CCOC	REAL300020308547	0	45	-1.0	-43.94	384.91	5.66	-38.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CCOC	REAL300020308547	1	45	-1.0	-43.97	384.96	5.67	-38.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CCOC	REAL300020308548	0	42	-1.0	-45.16	354.56	4.84	-40.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CCOC	REAL300020308548	1	42	-1.0	-45.16	354.61	4.84	-40.32
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC#N)CCOC	REAL300020308549	0	49	-1.0	-45.69	412.82	7.69	-38.00
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC#N)CCOC	REAL300020308549	1	49	-1.0	-45.63	412.83	7.69	-37.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC#N)CCC(C)C	REAL300020308550	0	50	-1.0	-41.93	410.40	8.58	-33.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC#N)CCC(C)C	REAL300020308550	1	50	-1.0	-41.90	410.46	8.59	-33.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC#N)CCC(C)C	REAL300020308551	0	47	-1.0	-43.31	380.55	7.78	-35.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC#N)CCC(C)C	REAL300020308551	1	47	-1.0	-43.32	380.64	7.79	-35.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020308552	0	42	-1.0	-42.39	346.32	4.33	-38.06
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020308552	1	42	-1.0	-42.40	346.38	4.35	-38.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)CC1	REAL300020308553	0	39	-1.0	-42.22	320.64	3.62	-38.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)CC1	REAL300020308553	1	39	-1.0	-42.23	320.58	3.60	-38.63
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020308554	0	46	-1.0	-44.81	363.04	5.00	-39.81
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)CC1	REAL300020308554	1	46	-1.0	-44.84	363.07	4.99	-39.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020308555	0	54	-1.0	-42.27	438.03	9.08	-33.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020308555	1	54	-1.0	-42.26	438.09	9.10	-33.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020308556	0	51	-1.0	-43.23	419.42	9.26	-33.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=CC=C1OC	REAL300020308556	1	51	-1.0	-43.25	419.46	9.28	-33.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020308557	0	48	-1.0	-40.39	399.12	10.09	-30.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020308557	1	48	-1.0	-40.44	399.18	10.10	-30.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020308558	0	45	-1.0	-43.38	371.53	9.44	-33.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C2C1	REAL300020308558	1	45	-1.0	-43.39	371.47	9.42	-33.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020308559	0	44	-1.0	-39.98	370.89	8.49	-31.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020308559	1	44	-1.0	-39.97	370.95	8.50	-31.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020308560	0	41	-1.0	-42.60	352.08	7.85	-34.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CS1	REAL300020308560	1	41	-1.0	-42.63	352.03	7.83	-34.80
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC1	REAL300020308561	0	43	-1.0	-41.76	353.35	9.30	-32.46
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC1	REAL300020308561	1	43	-1.0	-41.58	355.05	9.31	-32.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020308562	0	52	-1.0	-41.95	427.69	7.90	-34.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020308562	1	52	-1.0	-41.99	427.75	7.91	-34.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020308563	0	49	-1.0	-44.95	405.40	7.49	-37.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(O)C=C2)CC1	REAL300020308563	1	49	-1.0	-44.98	405.46	7.51	-37.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1	REAL300020308564	0	50	-1.0	-43.51	403.24	9.24	-34.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1	REAL300020308564	1	50	-1.0	-43.51	403.30	9.25	-34.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1	REAL300020308565	0	47	-1.0	-45.30	393.92	8.83	-36.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1	REAL300020308565	1	47	-1.0	-45.26	393.87	8.80	-36.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC2=CC=CC=C2C=C1	REAL300020308566	0	50	-1.0	-45.73	412.86	10.48	-35.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC2=CC=CC=C2C=C1	REAL300020308566	1	50	-1.0	-45.69	412.80	10.45	-35.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(OC)C=C1OC	REAL300020308567	0	52	-1.0	-43.73	428.80	7.91	-35.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(OC)C=C1OC	REAL300020308567	1	52	-1.0	-43.76	428.86	7.94	-35.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)CC	REAL300020308568	0	52	-1.0	-42.11	403.29	10.31	-31.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)CC	REAL300020308568	1	52	-1.0	-42.14	403.35	10.33	-31.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)CC	REAL300020308569	0	49	-1.0	-46.55	384.89	9.55	-37.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)CC	REAL300020308569	1	49	-1.0	-46.52	384.94	9.57	-36.95
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(CC)CC	REAL300020308570	0	56	-1.0	-42.95	432.04	10.74	-32.21
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(CC)CC	REAL300020308570	1	56	-1.0	-42.89	432.08	10.74	-32.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CC1	REAL300020308571	0	50	-1.0	-39.76	409.61	9.34	-30.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CC1	REAL300020308571	1	50	-1.0	-39.79	409.67	9.35	-30.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC(C)C)C1CC1	REAL300020308572	0	47	-1.0	-42.18	387.85	9.02	-33.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC(C)C)C1CC1	REAL300020308572	1	47	-1.0	-42.21	387.80	9.00	-33.21
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC(C)C)C1CC1	REAL300020308573	0	54	-1.0	-41.08	436.69	11.74	-29.34
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC(C)C)C1CC1	REAL300020308573	1	54	-1.0	-41.08	436.75	11.74	-29.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=CC=C1	REAL300020308574	0	48	-1.0	-41.42	398.87	9.64	-31.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=CC=C1	REAL300020308574	1	48	-1.0	-41.37	398.92	9.66	-31.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=CC=C1	REAL300020308575	0	45	-1.0	-44.60	380.32	8.84	-35.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=CC=C1	REAL300020308575	1	45	-1.0	-44.61	380.27	8.82	-35.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(OCC)C=C1)C(C)C	REAL300020308576	0	54	-1.0	-42.92	433.93	8.98	-33.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(OCC)C=C1)C(C)C	REAL300020308576	1	54	-1.0	-42.98	433.99	9.01	-33.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CO1	REAL300020308577	0	48	-1.0	-43.73	413.22	7.11	-36.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CO1	REAL300020308577	1	48	-1.0	-43.67	413.28	7.13	-36.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CO1	REAL300020308578	0	45	-1.0	-46.91	383.88	5.80	-41.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CO1	REAL300020308578	1	45	-1.0	-46.89	383.83	5.77	-41.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC(C)C	REAL300020308579	0	50	-1.0	-43.17	404.39	6.74	-36.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC(C)C	REAL300020308579	1	50	-1.0	-43.18	404.45	6.75	-36.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC(C)C	REAL300020308580	0	47	-1.0	-45.96	382.86	5.95	-40.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC(C)C	REAL300020308580	1	47	-1.0	-45.95	382.92	5.97	-39.98
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)CC(C)C	REAL300020308581	0	54	-1.0	-42.67	424.29	8.88	-33.79
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)CC(C)C	REAL300020308581	1	54	-1.0	-42.65	424.32	8.87	-33.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020308582	0	53	-1.0	-40.61	412.92	9.45	-31.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020308582	1	53	-1.0	-40.59	412.98	9.46	-31.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020308583	0	50	-1.0	-41.87	386.90	9.41	-32.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)C1CCCC1	REAL300020308583	1	50	-1.0	-41.86	386.80	9.40	-32.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020308584	0	56	-1.0	-42.12	447.74	10.98	-31.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020308584	1	56	-1.0	-42.19	447.80	10.99	-31.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020308585	0	53	-1.0	-43.66	435.67	11.43	-32.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)CC(C)C	REAL300020308585	1	53	-1.0	-43.67	435.73	11.46	-32.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC(C)C	REAL300020308586	0	53	-1.0	-45.19	425.41	9.95	-35.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC(C)C	REAL300020308586	1	53	-1.0	-45.18	425.47	9.97	-35.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC(C)C	REAL300020308587	0	50	-1.0	-47.25	406.91	9.30	-37.95
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020308589	0	50	-1.0	-46.98	408.78	9.67	-37.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC(C)C	REAL300020308589	1	50	-1.0	-46.97	408.72	9.65	-37.32
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCCC1	REAL300020308590	1	51	-1.0	-44.79	412.41	9.23	-35.56
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC1=CC=CS1	REAL300020308594	0	44	-1.0	-44.05	380.98	8.22	-35.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC1=CC=CS1	REAL300020308594	1	44	-1.0	-44.06	380.92	8.19	-35.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020308595	0	52	-1.0	-42.70	434.68	5.65	-37.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020308595	1	52	-1.0	-42.72	434.73	5.67	-37.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020308596	0	49	-1.0	-44.39	417.29	4.83	-39.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1OC	REAL300020308596	1	49	-1.0	-44.36	417.23	4.80	-39.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC1C	REAL300020308597	0	42	-1.0	-41.28	348.78	5.14	-36.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC1C	REAL300020308597	1	42	-1.0	-41.22	348.84	5.16	-36.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC1C	REAL300020308598	0	39	-1.0	-44.24	326.22	4.52	-39.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC1C	REAL300020308598	1	39	-1.0	-44.23	326.16	4.50	-39.73
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1C	REAL300020308599	0	46	-1.0	-42.62	374.65	7.17	-35.45
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1C	REAL300020308599	1	46	-1.0	-42.54	374.63	7.17	-35.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(C)C)C(C)C	REAL300020308600	0	49	-1.0	-40.77	377.88	7.39	-33.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(C)C)C(C)C	REAL300020308600	1	49	-1.0	-40.79	377.94	7.40	-33.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)C(C)C	REAL300020308601	0	46	-1.0	-43.87	358.65	6.57	-37.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)C(C)C	REAL300020308601	1	46	-1.0	-43.89	358.60	6.54	-37.35
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC(C)C)C(C)C	REAL300020308602	0	53	-1.0	-42.40	406.64	9.23	-33.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC(C)C)C(C)C	REAL300020308602	1	53	-1.0	-42.39	406.67	9.20	-33.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1CC	REAL300020308603	0	48	-1.0	-42.08	391.61	8.70	-33.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1CC	REAL300020308603	1	48	-1.0	-42.07	391.67	8.72	-33.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1CC	REAL300020308604	0	45	-1.0	-45.03	369.20	8.24	-36.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1CC	REAL300020308604	1	45	-1.0	-45.00	369.14	8.22	-36.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(C)C	REAL300020308605	0	46	-1.0	-40.68	369.51	7.63	-33.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(C)C	REAL300020308605	1	46	-1.0	-40.72	369.56	7.64	-33.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(C)C	REAL300020308606	0	43	-1.0	-45.04	350.75	6.75	-38.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(C)C	REAL300020308606	1	43	-1.0	-45.02	350.68	6.75	-38.27
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(C)C	REAL300020308607	0	50	-1.0	-41.72	400.11	9.91	-31.81
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(C)C	REAL300020308607	1	50	-1.0	-41.76	400.13	9.91	-31.85
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC(Cl)=C1	REAL300020308608	0	45	-1.0	-46.39	407.44	7.40	-38.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC(Cl)=C1	REAL300020308608	1	45	-1.0	-46.44	407.50	7.43	-39.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCC	REAL300020308609	0	46	-1.0	-40.44	360.96	8.37	-32.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCC	REAL300020308609	1	46	-1.0	-40.45	361.02	8.39	-32.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCC	REAL300020308610	0	43	-1.0	-41.61	352.57	7.78	-33.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCC	REAL300020308610	1	43	-1.0	-41.55	352.51	7.76	-33.79
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CCC	REAL300020308611	0	50	-1.0	-41.47	397.18	10.62	-30.85
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CCC	REAL300020308611	1	50	-1.0	-41.49	397.22	10.62	-30.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020308612	0	46	-1.0	-44.89	381.35	5.69	-39.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020308612	1	46	-1.0	-44.95	381.41	5.70	-39.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020308613	0	43	-1.0	-47.49	359.90	4.93	-42.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(O)C=C2C1	REAL300020308613	1	43	-1.0	-47.49	359.85	4.90	-42.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020308614	0	45	-1.0	-41.44	390.07	6.31	-35.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020308614	1	45	-1.0	-41.47	390.13	6.33	-35.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020308615	0	42	-1.0	-44.26	355.25	5.85	-38.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1O	REAL300020308615	1	42	-1.0	-44.24	355.20	5.82	-38.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC#C)C1CCC2=CC=CC=C21	REAL300020308616	0	50	-1.0	-45.12	410.33	10.37	-34.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC#C)C1CCC2=CC=CC=C21	REAL300020308616	1	50	-1.0	-45.12	410.39	10.38	-34.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC#C)C1CCC2=CC=CC=C21	REAL300020308617	0	47	-1.0	-45.24	403.61	9.64	-35.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC#C)C1CCC2=CC=CC=C21	REAL300020308617	1	47	-1.0	-45.27	403.56	9.62	-35.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC1=CC=CC=C1	REAL300020308618	0	50	-1.0	-42.16	411.99	10.01	-32.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC1=CC=CC=C1	REAL300020308618	1	50	-1.0	-42.11	412.05	10.02	-32.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC1=CC=CC=C1	REAL300020308619	0	47	-1.0	-45.34	388.89	9.05	-36.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC1=CC=CC=C1	REAL300020308619	1	47	-1.0	-45.35	388.83	9.03	-36.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(OC)C=C1	REAL300020308620	0	51	-1.0	-42.15	417.23	8.26	-33.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(OC)C=C1	REAL300020308620	1	51	-1.0	-42.07	417.29	8.28	-33.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(OC)C=C1	REAL300020308621	0	48	-1.0	-45.00	400.48	8.61	-36.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(OC)C=C1	REAL300020308621	1	48	-1.0	-45.00	400.42	8.59	-36.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC1=CC=CC(C#C)=C1	REAL300020308622	0	47	-1.0	-48.42	418.00	8.08	-40.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC1=CC=CC(C#C)=C1	REAL300020308622	1	47	-1.0	-48.42	418.03	8.10	-40.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020308623	0	54	-1.0	-44.95	416.42	8.30	-36.65
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020308623	1	54	-1.0	-44.95	416.47	8.32	-36.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020308624	0	51	-1.0	-45.85	394.92	7.52	-38.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)C(C)C)CC1	REAL300020308624	1	51	-1.0	-45.87	394.98	7.54	-38.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020308625	0	54	-1.0	-39.63	431.65	11.02	-28.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020308625	1	54	-1.0	-39.64	431.70	11.03	-28.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020308626	0	51	-1.0	-43.19	404.38	9.80	-33.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCCCC1)C1CC1	REAL300020308626	1	51	-1.0	-43.20	404.44	9.83	-33.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020308627	0	56	0.0	-64.74	436.28	9.20	-55.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020308627	1	56	0.0	-64.71	436.33	9.21	-55.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020308628	0	53	0.0	-60.37	408.99	8.37	-52.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](CCC)CC1	REAL300020308628	1	53	0.0	-60.40	409.04	8.38	-52.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020308629	0	60	0.0	-66.75	436.99	10.83	-55.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020308629	1	60	0.0	-66.10	446.81	11.34	-54.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC2CCCCC2)CC1	REAL300020308629	1	60	0.0	-66.73	437.05	10.86	-55.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300020308629	1	60	0.0	-66.16	446.85	11.35	-54.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=C(OC)C=C1	REAL300020308630	0	52	-1.0	-42.02	428.37	8.95	-33.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=C(OC)C=C1	REAL300020308630	1	52	-1.0	-41.99	428.43	8.97	-33.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=C(OC)C=C1	REAL300020308631	0	49	-1.0	-45.01	406.98	8.31	-36.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=C(OC)C=C1	REAL300020308631	1	49	-1.0	-45.03	406.93	8.29	-36.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020308632	0	48	-1.0	-43.81	399.93	10.77	-33.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020308632	1	48	-1.0	-43.84	399.98	10.78	-33.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020308633	0	45	-1.0	-43.45	366.96	8.70	-34.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(F)=C1	REAL300020308633	1	45	-1.0	-43.43	366.90	8.68	-34.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCOC)CCOC	REAL300020308634	0	51	-1.0	-42.61	415.59	5.11	-37.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCOC)CCOC	REAL300020308634	1	51	-1.0	-42.60	415.65	5.13	-37.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCOC)CCOC	REAL300020308635	0	48	-1.0	-45.05	394.08	4.33	-40.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCOC)CCOC	REAL300020308635	1	48	-1.0	-45.02	394.13	4.35	-40.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020308636	0	56	-1.0	-39.04	413.91	10.99	-28.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020308636	1	56	-1.0	-39.05	413.97	11.01	-28.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020308637	0	53	-1.0	-41.51	382.94	9.27	-32.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)CC1	REAL300020308637	1	53	-1.0	-41.52	383.00	9.30	-32.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020308638	0	54	-1.0	-40.06	437.28	11.31	-28.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020308638	1	54	-1.0	-40.05	437.34	11.33	-28.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020308639	0	51	-1.0	-43.10	409.64	10.66	-32.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(C)C)C1	REAL300020308639	1	51	-1.0	-43.10	409.58	10.63	-32.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020308640	0	48	-1.0	-40.73	387.54	6.34	-34.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020308640	1	48	-1.0	-40.72	387.60	6.36	-34.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020308641	0	45	-1.0	-43.43	367.40	5.83	-37.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020308641	1	45	-1.0	-43.40	367.34	5.81	-37.59
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020308642	0	52	-1.0	-42.06	418.62	8.40	-33.66
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)(C)OC[C@@H]1C	REAL300020308642	1	52	-1.0	-42.01	418.66	8.39	-33.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1CC=C	REAL300020308643	0	54	-1.0	-40.79	411.58	8.81	-31.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1CC=C	REAL300020308643	1	54	-1.0	-40.77	411.63	8.82	-31.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1CC=C	REAL300020308644	0	51	-1.0	-43.20	389.32	8.22	-34.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1CC=C	REAL300020308644	1	51	-1.0	-43.23	389.26	8.20	-35.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020308645	0	50	-1.0	-52.77	395.16	4.86	-47.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020308645	1	50	-1.0	-52.75	395.22	4.88	-47.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020308646	0	47	-1.0	-59.47	393.44	4.65	-54.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(S(C)(=O)=O)C1	REAL300020308646	1	47	-1.0	-59.45	393.50	4.67	-54.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C)C1	REAL300020308647	0	42	-1.0	-40.21	348.31	7.81	-32.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C)C1	REAL300020308647	1	42	-1.0	-40.25	348.36	7.83	-32.42
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC=C(C)C1	REAL300020308648	0	46	-1.0	-41.43	371.27	9.68	-31.75
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC=C(C)C1	REAL300020308648	1	46	-1.0	-41.50	371.31	9.68	-31.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020308649	0	39	-1.0	-40.18	348.67	7.79	-32.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020308649	1	39	-1.0	-40.25	348.72	7.80	-32.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(Br)C1	REAL300020308650	0	36	-1.0	-44.00	323.08	6.48	-37.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(Br)C1	REAL300020308650	1	36	-1.0	-44.01	323.14	6.50	-37.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020308651	0	51	-1.0	-39.49	401.21	7.40	-32.09
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020308651	1	51	-1.0	-39.56	401.27	7.41	-32.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020308652	0	48	-1.0	-42.00	379.72	6.61	-35.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)CC1	REAL300020308652	1	48	-1.0	-41.97	379.78	6.64	-35.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020308653	0	51	-1.0	-39.91	411.28	9.97	-29.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020308653	1	51	-1.0	-39.91	411.34	9.99	-29.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020308654	0	48	-1.0	-43.56	389.69	9.37	-34.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)CC1CCC1	REAL300020308654	1	48	-1.0	-43.55	389.74	9.40	-34.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020308655	0	42	-1.0	-39.82	366.82	8.55	-31.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020308655	1	42	-1.0	-39.81	366.88	8.57	-31.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020308656	0	39	-1.0	-41.83	345.21	7.76	-34.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)=C(Br)C1	REAL300020308656	1	39	-1.0	-41.82	345.27	7.78	-34.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020308657	0	42	-1.0	-42.22	359.12	5.95	-36.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020308657	1	42	-1.0	-42.25	359.18	5.96	-36.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020308658	0	39	-1.0	-43.60	332.32	5.26	-38.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC(F)F)C1	REAL300020308658	1	39	-1.0	-43.56	332.37	5.29	-38.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCNC(C)=O)CC1=CSC=C1	REAL300020308659	0	48	-1.0	-47.95	428.94	6.27	-41.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCNC(C)=O)CC1=CSC=C1	REAL300020308659	1	48	-1.0	-47.96	429.00	6.29	-41.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020308660	0	45	-1.0	-42.44	370.39	8.56	-33.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020308660	1	45	-1.0	-42.46	370.45	8.58	-33.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020308661	0	42	-1.0	-44.75	349.32	7.82	-36.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020308661	1	42	-1.0	-44.76	349.26	7.80	-36.96
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020308662	0	49	-1.0	-41.59	409.25	11.68	-29.91
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=CC=CC=C2C1	REAL300020308662	1	49	-1.0	-41.53	409.30	11.67	-29.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020308663	0	54	-1.0	-40.50	406.47	10.43	-30.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020308663	1	54	-1.0	-40.55	406.52	10.44	-30.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020308664	0	51	-1.0	-44.27	388.13	9.23	-35.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C)CC1CC(C)(C)C2	REAL300020308664	1	51	-1.0	-44.32	388.18	9.25	-35.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020308665	0	44	-1.0	-51.14	379.99	3.62	-47.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020308665	1	44	-1.0	-51.15	380.04	3.64	-47.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020308666	0	41	-1.0	-48.24	346.05	3.37	-44.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCS(=O)(=O)C1	REAL300020308666	1	41	-1.0	-48.24	346.10	3.40	-44.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020308667	0	51	-1.0	-42.23	422.85	5.48	-36.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020308667	1	51	-1.0	-42.21	422.90	5.49	-36.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020308668	0	48	-1.0	-43.83	400.70	4.90	-38.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(O)C=C2)CC1	REAL300020308668	1	48	-1.0	-43.88	400.76	4.92	-38.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CCC	REAL300020308669	0	46	-1.0	-40.99	369.56	7.48	-33.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CCC	REAL300020308669	1	46	-1.0	-41.04	369.62	7.50	-33.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CCC	REAL300020308670	0	43	-1.0	-43.01	344.11	6.88	-36.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CCC	REAL300020308670	1	43	-1.0	-43.08	344.07	6.88	-36.20
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC)CCC	REAL300020308671	0	50	-1.0	-41.93	401.18	9.72	-32.21
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC)CCC	REAL300020308671	1	50	-1.0	-41.92	401.23	9.70	-32.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC=C	REAL300020308672	0	42	-1.0	-39.82	358.69	8.02	-31.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC=C	REAL300020308672	1	42	-1.0	-39.80	358.75	8.03	-31.77
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC=C)CC=C	REAL300020308673	0	46	-1.0	-41.39	394.11	9.51	-31.88
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC=C)CC=C	REAL300020308673	1	46	-1.0	-41.37	394.18	9.51	-31.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CCOC	REAL300020308674	0	48	-1.0	-41.07	402.25	4.72	-36.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CCOC	REAL300020308674	1	48	-1.0	-41.06	402.31	4.74	-36.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CCOC	REAL300020308675	0	45	-1.0	-43.66	384.42	4.02	-39.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CCOC	REAL300020308675	1	45	-1.0	-43.64	384.47	4.04	-39.60
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)CCOC	REAL300020308676	0	52	-1.0	-42.05	432.46	6.61	-35.44
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)CCOC	REAL300020308676	1	52	-1.0	-41.99	432.52	6.60	-35.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020308677	0	48	-1.0	-41.65	392.12	5.99	-35.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020308677	1	48	-1.0	-41.61	392.18	6.01	-35.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020308678	0	45	-1.0	-44.78	372.99	5.38	-39.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC=C1	REAL300020308678	1	45	-1.0	-44.79	372.94	5.35	-39.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCCCC1	REAL300020308679	0	50	-1.0	-40.90	396.59	7.96	-32.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCCCC1	REAL300020308679	1	50	-1.0	-40.86	396.65	7.97	-32.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCCCC1	REAL300020308680	0	47	-1.0	-43.49	375.15	7.16	-36.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCCCC1	REAL300020308680	1	47	-1.0	-43.50	375.09	7.13	-36.37
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CCCCC1	REAL300020308681	0	54	-1.0	-42.01	424.32	9.80	-32.21
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CCCCC1	REAL300020308681	1	54	-1.0	-41.95	424.34	9.79	-32.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020308682	0	47	-1.0	-40.36	390.16	9.33	-31.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020308682	1	47	-1.0	-40.35	390.21	9.35	-31.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020308683	0	44	-1.0	-42.76	376.75	8.69	-34.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020308683	1	44	-1.0	-42.81	376.68	8.66	-34.15
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020308684	0	51	-1.0	-41.24	426.18	11.25	-29.99
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1=CC=CC=C1	REAL300020308684	1	51	-1.0	-41.14	426.21	11.24	-29.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020308685	0	47	-1.0	-39.85	364.02	9.43	-30.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020308685	1	47	-1.0	-39.89	364.08	9.44	-30.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCC1	REAL300020308686	0	44	-1.0	-43.09	342.18	8.83	-34.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCC1	REAL300020308686	1	44	-1.0	-43.12	342.13	8.81	-34.31
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCC1	REAL300020308687	0	51	-1.0	-40.81	395.99	11.50	-29.31
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCC1	REAL300020308687	1	51	-1.0	-40.77	396.03	11.48	-29.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCCC	REAL300020308688	0	46	-1.0	-40.59	371.87	7.57	-33.02
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCCC	REAL300020308688	1	46	-1.0	-40.62	371.93	7.58	-33.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCCC	REAL300020308689	0	43	-1.0	-43.56	350.48	6.81	-36.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCCC	REAL300020308689	1	43	-1.0	-43.53	350.43	6.78	-36.75
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCCC	REAL300020308690	0	50	-1.0	-41.81	399.18	9.56	-32.25
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCCC	REAL300020308690	1	50	-1.0	-41.78	399.22	9.56	-32.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1CC1	REAL300020308691	0	47	-1.0	-39.80	394.03	9.02	-30.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1CC1	REAL300020308691	1	47	-1.0	-39.77	394.09	9.03	-30.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1CC1	REAL300020308692	0	44	-1.0	-42.66	368.21	8.26	-34.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1CC1	REAL300020308692	1	44	-1.0	-42.68	368.15	8.25	-34.43
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCC)CC1CC1	REAL300020308693	0	51	-1.0	-42.13	403.54	10.04	-32.09
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCC)CC1CC1	REAL300020308693	1	51	-1.0	-42.03	403.60	10.03	-32.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(=C)C	REAL300020308694	0	44	-1.0	-40.25	362.64	7.25	-33.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(=C)C	REAL300020308694	1	44	-1.0	-40.26	362.70	7.27	-32.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(=C)C	REAL300020308695	0	41	-1.0	-43.33	341.12	6.44	-36.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(=C)C	REAL300020308695	1	41	-1.0	-43.34	341.06	6.41	-36.93
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(=C)C	REAL300020308696	0	48	-1.0	-41.45	389.93	9.26	-32.19
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(=C)C	REAL300020308696	1	48	-1.0	-41.42	389.98	9.25	-32.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020308697	0	51	-1.0	-41.33	414.34	8.40	-32.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020308697	1	51	-1.0	-41.33	414.40	8.41	-32.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020308698	0	48	-1.0	-44.40	395.27	7.76	-36.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=CC=C1	REAL300020308698	1	48	-1.0	-44.39	395.21	7.73	-36.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020308699	0	48	-1.0	-45.60	406.58	9.64	-35.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020308699	1	48	-1.0	-45.61	406.52	9.61	-36.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020308700	0	52	-1.0	-43.99	413.20	8.09	-35.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020308700	1	52	-1.0	-43.96	413.26	8.10	-35.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020308701	0	49	-1.0	-45.06	395.19	7.80	-37.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C=C1	REAL300020308701	1	49	-1.0	-45.05	395.13	7.77	-37.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020308702	0	48	-1.0	-42.08	421.57	9.15	-32.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020308702	1	48	-1.0	-42.11	421.63	9.16	-32.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020308703	0	45	-1.0	-45.50	387.75	7.90	-37.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1=CC=CO1	REAL300020308703	1	45	-1.0	-45.55	387.67	7.88	-37.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)S1	REAL300020308704	0	44	-1.0	-38.93	402.76	9.19	-29.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)S1	REAL300020308704	1	44	-1.0	-38.94	402.82	9.21	-29.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(Cl)S1	REAL300020308705	0	41	-1.0	-41.56	384.19	8.60	-32.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(Cl)S1	REAL300020308705	1	41	-1.0	-41.55	384.24	8.63	-32.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=C(Cl)S1	REAL300020308706	0	42	-1.0	-43.71	389.68	8.68	-35.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=C(Cl)S1	REAL300020308706	1	42	-1.0	-43.68	389.62	8.65	-35.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=CS1	REAL300020308707	0	45	-1.0	-39.84	398.82	9.04	-30.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=CS1	REAL300020308707	1	45	-1.0	-39.90	398.88	9.05	-30.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=CS1	REAL300020308708	0	42	-1.0	-41.94	377.36	8.28	-33.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=CS1	REAL300020308708	1	42	-1.0	-41.92	377.30	8.25	-33.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C2OCOC2=C1	REAL300020308709	0	50	-1.0	-42.60	421.43	8.00	-34.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C2OCOC2=C1	REAL300020308709	1	50	-1.0	-42.56	421.48	8.02	-34.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C2OCOC2=C1	REAL300020308710	0	47	-1.0	-47.36	391.94	6.78	-40.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C2OCOC2=C1	REAL300020308710	1	47	-1.0	-47.34	391.88	6.76	-40.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020308711	0	53	-1.0	-42.11	420.63	11.30	-30.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020308711	1	53	-1.0	-42.13	420.69	11.32	-30.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020308712	0	50	-1.0	-42.48	411.90	10.70	-31.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC1=CC=C(C)C=C1	REAL300020308712	1	50	-1.0	-42.43	411.84	10.68	-31.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(C(C)C)C=C1	REAL300020308713	0	54	-1.0	-41.46	418.24	10.67	-30.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(C(C)C)C=C1	REAL300020308713	1	54	-1.0	-41.51	418.19	10.65	-30.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020308714	0	45	-1.0	-40.35	392.18	9.59	-30.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020308714	1	45	-1.0	-40.36	392.24	9.60	-30.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020308715	0	42	-1.0	-42.83	364.59	8.95	-33.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=CC(F)=C2C1	REAL300020308715	1	42	-1.0	-42.85	364.54	8.92	-33.93
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCS(C)(=O)=O	REAL300020308716	0	46	-1.0	-54.30	394.21	3.76	-50.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCS(C)(=O)=O	REAL300020308716	1	46	-1.0	-54.31	394.26	3.77	-50.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCS(C)(=O)=O	REAL300020308717	0	43	-1.0	-57.73	371.05	2.78	-54.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCS(C)(=O)=O	REAL300020308717	1	43	-1.0	-57.73	371.12	2.80	-54.93
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020308718	0	47	-1.0	-53.16	412.68	4.81	-48.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020308718	1	47	-1.0	-53.15	412.74	4.83	-48.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020308719	0	44	-1.0	-55.56	387.16	3.69	-51.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCS(C)(=O)=O)C1CC1	REAL300020308719	1	44	-1.0	-55.50	387.22	3.70	-51.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC1CC1	REAL300020308720	0	47	-1.0	-41.05	379.65	8.26	-32.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC1CC1	REAL300020308720	1	47	-1.0	-41.03	379.71	8.28	-32.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC1CC1	REAL300020308721	0	44	-1.0	-42.66	362.38	7.69	-34.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC1CC1	REAL300020308721	1	44	-1.0	-42.65	362.31	7.66	-34.99
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCC1CC1	REAL300020308722	0	51	-1.0	-41.89	411.27	10.54	-31.35
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCC1CC1	REAL300020308722	1	51	-1.0	-41.90	411.33	10.53	-31.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@H+]2C)CC1	REAL300020308723	0	55	0.0	-67.24	434.08	7.93	-59.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCC[N@@H+]2C)CC1	REAL300020308723	1	55	0.0	-67.38	434.66	7.74	-59.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020308724	0	45	-1.0	-42.27	387.09	9.07	-33.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020308724	1	45	-1.0	-42.26	387.15	9.09	-33.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020308725	0	42	-1.0	-44.69	365.72	8.31	-36.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C1	REAL300020308725	1	42	-1.0	-44.65	365.67	8.28	-36.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020308726	0	45	-1.0	-39.16	392.81	9.79	-29.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020308726	1	45	-1.0	-39.16	392.87	9.80	-29.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020308727	0	42	-1.0	-41.75	365.57	8.99	-32.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(F)C=C(F)C=C2C1	REAL300020308727	1	42	-1.0	-41.76	365.52	8.96	-32.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020308728	0	50	-1.0	-47.81	416.81	10.45	-37.36
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020308728	1	50	-1.0	-47.83	416.75	10.43	-37.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020308729	0	47	-1.0	-48.92	390.02	10.12	-38.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NC=N2)CC1	REAL300020308729	1	47	-1.0	-48.91	389.96	10.11	-38.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSC	REAL300020308730	0	47	-1.0	-40.33	384.20	8.83	-31.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSC	REAL300020308730	1	47	-1.0	-40.35	384.26	8.84	-31.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCSC	REAL300020308731	0	44	-1.0	-41.59	375.75	8.21	-33.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCSC	REAL300020308731	1	44	-1.0	-41.61	375.80	8.24	-33.37
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CCSC	REAL300020308732	0	51	-1.0	-41.56	420.41	11.08	-30.48
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CCSC	REAL300020308732	1	51	-1.0	-41.50	420.46	11.07	-30.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020308733	0	40	-1.0	-44.48	341.15	6.34	-38.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020308733	1	40	-1.0	-44.44	341.21	6.35	-38.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NOC=C1	REAL300020308734	0	37	-1.0	-46.17	333.23	5.65	-40.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NOC=C1	REAL300020308734	1	37	-1.0	-46.17	333.16	5.62	-40.55
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NOC=C1	REAL300020308735	0	44	-1.0	-46.32	371.15	8.38	-37.94
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NOC=C1	REAL300020308735	1	44	-1.0	-46.33	371.18	8.37	-37.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020308736	0	51	-1.0	-41.84	428.05	10.94	-30.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020308736	1	51	-1.0	-41.84	428.11	10.96	-30.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020308737	0	48	-1.0	-44.05	405.78	10.15	-33.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=C(F)C=C2)CC1C	REAL300020308737	1	48	-1.0	-44.08	405.84	10.18	-33.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020308738	0	53	0.0	-64.19	391.97	9.20	-54.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020308738	1	53	0.0	-63.15	401.12	9.19	-53.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020308738	1	53	0.0	-64.22	392.02	9.21	-55.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020308738	1	53	0.0	-63.15	401.18	9.21	-53.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020308739	0	50	0.0	-62.09	375.26	8.40	-53.69
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020308739	1	50	0.0	-63.69	376.90	8.22	-55.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@H+](CC)CC1C	REAL300020308739	1	50	0.0	-62.13	375.32	8.42	-53.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)[N@@H+](CC)CC1C	REAL300020308739	1	50	0.0	-63.70	376.95	8.24	-55.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020308740	0	54	-1.0	-41.93	432.62	11.55	-30.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020308740	1	54	-1.0	-41.92	432.68	11.56	-30.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020308741	0	51	-1.0	-44.55	408.13	10.58	-33.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2C)CC1C	REAL300020308741	1	51	-1.0	-44.55	408.20	10.61	-33.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(=C)C)CC1=CC=CC=C1	REAL300020308742	0	51	-1.0	-40.62	411.10	9.39	-31.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(=C)C)CC1=CC=CC=C1	REAL300020308742	1	51	-1.0	-40.65	411.16	9.41	-31.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(=C)C)CC1=CC=CC=C1	REAL300020308743	0	48	-1.0	-43.28	392.99	9.16	-34.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(=C)C)CC1=CC=CC=C1	REAL300020308743	1	48	-1.0	-43.32	392.92	9.13	-34.19
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020308745	0	51	-1.0	-47.77	410.10	7.28	-40.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1C	REAL300020308745	1	51	-1.0	-47.76	410.15	7.30	-40.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020308746	0	54	-1.0	-40.34	432.90	8.71	-31.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020308746	1	54	-1.0	-40.33	432.96	8.72	-31.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020308747	0	51	-1.0	-42.05	411.70	7.95	-34.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OCC)C1(C)C	REAL300020308747	1	51	-1.0	-42.04	411.76	7.98	-34.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020308748	0	54	-1.0	-40.42	441.24	11.06	-29.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020308748	1	54	-1.0	-40.42	441.30	11.07	-29.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020308749	0	51	-1.0	-43.17	425.90	10.75	-32.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C(C)=C1)C1CC1	REAL300020308749	1	51	-1.0	-43.16	425.84	10.72	-32.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C	REAL300020308750	0	44	-1.0	-40.57	358.05	7.84	-32.73
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C	REAL300020308750	1	44	-1.0	-40.56	358.11	7.86	-32.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC1C	REAL300020308751	0	41	-1.0	-42.79	343.43	7.28	-35.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC1C	REAL300020308751	1	41	-1.0	-42.79	343.37	7.26	-35.53
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020308752	0	48	-1.0	-41.41	393.17	10.01	-31.40
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC1C	REAL300020308752	1	48	-1.0	-41.34	393.00	9.99	-31.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)C1CC(OCC)C1(C)C	REAL300020308753	0	57	-1.0	-43.20	435.14	7.98	-35.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)C1CC(OCC)C1(C)C	REAL300020308753	1	57	-1.0	-43.23	435.19	7.99	-35.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020308754	0	48	-1.0	-40.10	408.63	10.25	-29.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020308754	1	48	-1.0	-40.06	408.69	10.27	-29.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020308755	0	45	-1.0	-42.76	387.48	9.53	-33.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)C1CC1	REAL300020308755	1	45	-1.0	-42.77	387.42	9.51	-33.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=C(C)N=C(CC)S1	REAL300020308756	0	52	-1.0	-40.54	431.03	8.68	-31.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=C(C)N=C(CC)S1	REAL300020308756	1	52	-1.0	-40.57	431.09	8.69	-31.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=C(C)N=C(CC)S1	REAL300020308757	0	49	-1.0	-42.48	423.29	7.44	-35.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=C(C)N=C(CC)S1	REAL300020308757	1	49	-1.0	-42.51	423.37	7.46	-35.05
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020308758	0	54	-1.0	-40.97	419.81	10.41	-30.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020308758	1	54	-1.0	-40.94	419.87	10.43	-30.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020308759	0	51	-1.0	-44.45	401.88	11.46	-32.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(C)=C1C	REAL300020308759	1	51	-1.0	-44.46	401.83	11.43	-33.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020308760	0	57	-1.0	-42.85	438.74	6.88	-35.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020308760	1	58	0.0	-68.29	447.39	8.92	-59.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020308760	1	57	-1.0	-42.87	438.80	6.89	-35.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020308761	0	54	-1.0	-43.93	428.49	6.20	-37.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020308761	1	55	0.0	-66.11	429.69	8.27	-57.84
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CN2CCOCC2)C1	REAL300020308761	1	54	-1.0	-43.94	428.55	6.23	-37.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020308762	0	52	-1.0	-44.38	422.14	7.55	-36.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300020308762	1	52	-1.0	-44.42	422.19	7.56	-36.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020308763	0	42	-1.0	-39.03	373.21	8.30	-30.73
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020308763	1	42	-1.0	-39.02	373.27	8.31	-30.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020308764	0	39	-1.0	-41.88	345.73	7.62	-34.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(F)(F)F)CC1	REAL300020308764	1	39	-1.0	-41.86	345.79	7.65	-34.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020308765	0	45	-1.0	-44.20	374.38	4.91	-39.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020308765	1	45	-1.0	-44.21	374.44	4.93	-39.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020308766	0	42	-1.0	-44.41	348.75	4.21	-40.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020308766	1	42	-1.0	-44.37	348.69	4.19	-40.18
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020308767	0	49	-1.0	-45.17	401.91	6.86	-38.31
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)CC1C	REAL300020308767	1	49	-1.0	-45.25	401.96	6.86	-38.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(O)C1=CC=C(C)C=C1	REAL300020308768	0	54	-1.0	-41.79	449.77	7.90	-33.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(O)C1=CC=C(C)C=C1	REAL300020308768	1	54	-1.0	-41.81	449.83	7.91	-33.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(O)C1=CC=C(C)C=C1	REAL300020308769	0	51	-1.0	-44.59	428.65	7.22	-37.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(O)C1=CC=C(C)C=C1	REAL300020308769	1	51	-1.0	-44.59	428.70	7.24	-37.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(O)C(F)(F)F)CC1	REAL300020308770	0	48	-1.0	-43.43	398.16	5.68	-37.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(O)C(F)(F)F)CC1	REAL300020308770	1	48	-1.0	-43.42	398.21	5.71	-37.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020308771	0	58	0.0	-67.71	434.11	8.29	-59.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020308771	1	58	0.0	-67.94	444.94	7.55	-60.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020308771	1	58	0.0	-67.74	434.17	8.31	-59.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020308771	1	58	0.0	-67.96	445.00	7.57	-60.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020308772	0	55	0.0	-65.31	400.46	7.79	-57.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020308772	1	55	0.0	-67.47	427.27	6.90	-60.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CCOCC2)C[C@H]1C	REAL300020308772	1	55	0.0	-65.34	400.52	7.80	-57.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	REAL300020308772	1	55	0.0	-67.49	427.32	6.93	-60.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020308773	0	49	-1.0	-40.36	409.03	10.71	-29.65
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020308773	1	49	-1.0	-40.41	409.09	10.73	-29.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020308774	0	46	-1.0	-43.82	381.35	10.04	-33.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2(CC2)C1	REAL300020308774	1	46	-1.0	-43.83	381.29	10.02	-33.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020308775	0	48	-1.0	-39.81	393.76	9.25	-30.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020308775	1	48	-1.0	-39.85	393.82	9.26	-30.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CC1)C1CCC1	REAL300020308776	0	45	-1.0	-42.55	364.64	8.06	-34.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CC1)C1CCC1	REAL300020308776	1	45	-1.0	-42.57	364.58	8.03	-34.54
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020308777	0	52	-1.0	-40.82	413.75	10.73	-30.09
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC1CC1)C1CCC1	REAL300020308777	1	52	-1.0	-40.78	413.78	10.72	-30.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020308778	0	48	-1.0	-42.75	403.45	9.86	-32.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020308778	1	48	-1.0	-42.75	403.52	9.88	-32.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020308779	0	45	-1.0	-45.85	382.53	9.38	-36.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=C(F)C=CC=C1F)C1CC1	REAL300020308779	1	45	-1.0	-45.77	382.48	9.37	-36.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020308780	0	54	-1.0	-45.04	425.51	10.12	-34.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)(C)C)C=C2C1	REAL300020308780	1	54	-1.0	-45.00	425.56	10.14	-34.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020308781	0	39	-1.0	-42.56	361.66	8.17	-34.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Br)=C2C1	REAL300020308781	1	39	-1.0	-42.57	361.72	8.20	-34.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020308782	0	39	-1.0	-42.59	356.51	8.52	-34.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(Br)C=C2C1	REAL300020308782	1	39	-1.0	-42.61	356.57	8.54	-34.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020308783	0	48	-1.0	-44.87	405.83	10.88	-33.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)CC1CC1	REAL300020308783	1	48	-1.0	-44.87	405.88	10.89	-33.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CCC1=CC=CS1	REAL300020308784	0	50	-1.0	-41.83	420.37	9.76	-32.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CCC1=CC=CS1	REAL300020308784	1	50	-1.0	-41.85	420.43	9.77	-32.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CCC1=CC=CS1	REAL300020308785	0	47	-1.0	-44.91	398.75	9.09	-35.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CCC1=CC=CS1	REAL300020308785	1	47	-1.0	-44.92	398.81	9.11	-35.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CCOC	REAL300020308786	0	45	-1.0	-40.56	381.60	6.36	-34.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CCOC	REAL300020308786	1	45	-1.0	-40.57	381.65	6.38	-34.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CCOC	REAL300020308787	0	42	-1.0	-42.70	360.20	5.60	-37.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CCOC	REAL300020308787	1	42	-1.0	-42.69	360.14	5.58	-37.11
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC=C)CCOC	REAL300020308788	0	49	-1.0	-42.33	414.18	8.16	-34.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC=C)CCOC	REAL300020308788	1	49	-1.0	-42.33	414.22	8.15	-34.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CCC)CC1	REAL300020308789	0	56	-1.0	-40.52	431.70	9.66	-30.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CCC)CC1	REAL300020308789	1	56	-1.0	-40.50	431.76	9.67	-30.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(CCC)CC1	REAL300020308790	0	53	-1.0	-42.39	410.19	8.87	-33.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(CCC)CC1	REAL300020308790	1	53	-1.0	-42.39	410.25	8.89	-33.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020308791	0	49	-1.0	-41.54	390.49	8.27	-33.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(C)CC	REAL300020308791	1	49	-1.0	-41.55	390.55	8.29	-33.26
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(C)CC	REAL300020308792	1	46	-1.0	-43.74	366.50	7.53	-36.21
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(CC)C1=CC=CC=C1	REAL300020308796	1	56	-1.0	-42.52	452.03	12.17	-30.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(CC)C1=CC=CC=C1	REAL300020308797	0	53	-1.0	-48.35	425.82	10.05	-38.30
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020308798	0	51	-1.0	-49.47	414.94	7.21	-42.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020308798	1	51	-1.0	-49.42	415.00	7.23	-42.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020308799	0	48	-1.0	-55.63	372.74	6.38	-49.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC2=C1C=NN2C	REAL300020308799	1	48	-1.0	-55.63	372.69	6.38	-49.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020308800	0	53	-1.0	-41.49	416.98	9.45	-32.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020308800	1	53	-1.0	-41.46	417.04	9.47	-31.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020308801	0	50	-1.0	-44.90	395.48	8.67	-36.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=CC=CC=C2)CC1	REAL300020308801	1	50	-1.0	-44.89	395.54	8.69	-36.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)NCCCC)CCC1C	REAL300020308802	0	57	-1.0	-49.84	459.28	7.50	-42.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)NCCCC)CCC1C	REAL300020308802	1	57	-1.0	-49.83	459.34	7.53	-42.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020308803	0	49	-1.0	-42.94	419.16	6.18	-36.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020308803	1	49	-1.0	-42.97	419.22	6.19	-36.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020308804	0	46	-1.0	-45.08	397.33	5.47	-39.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(O)=C1	REAL300020308804	1	46	-1.0	-45.09	397.27	5.44	-39.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CCCO1	REAL300020308805	0	48	-1.0	-42.33	380.78	6.20	-36.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CCCO1	REAL300020308805	1	48	-1.0	-42.35	380.83	6.21	-36.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CCCO1	REAL300020308806	0	45	-1.0	-46.62	363.81	5.49	-41.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CCCO1	REAL300020308806	1	45	-1.0	-46.63	363.86	5.51	-41.12
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CCCO1	REAL300020308807	0	52	-1.0	-43.40	415.57	8.52	-34.88
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CCCO1	REAL300020308807	1	52	-1.0	-43.41	415.60	8.52	-34.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC1C2	REAL300020308808	0	42	-1.0	-41.93	337.84	6.78	-35.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC1C2	REAL300020308808	1	42	-1.0	-41.92	337.90	6.79	-35.13
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020308809	0	46	-1.0	-42.52	365.79	9.12	-33.40
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC1C2	REAL300020308809	1	46	-1.0	-42.49	365.83	9.11	-33.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020308810	0	48	-1.0	-42.39	391.65	10.03	-32.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020308810	1	48	-1.0	-42.42	391.71	10.04	-32.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020308811	0	45	-1.0	-43.54	368.75	9.58	-33.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2=CC=CC=C2C1	REAL300020308811	1	45	-1.0	-43.52	368.70	9.57	-33.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=CC=C1F	REAL300020308812	0	48	-1.0	-44.19	412.49	9.92	-34.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=CC=C1F	REAL300020308812	1	48	-1.0	-44.17	412.55	9.94	-34.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=CC=C1F	REAL300020308813	0	45	-1.0	-42.98	384.72	9.30	-33.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=CC=C1F	REAL300020308813	1	45	-1.0	-43.01	384.68	9.28	-33.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1CCCCC1	REAL300020308814	0	56	-1.0	-40.56	440.52	11.17	-29.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1CCCCC1	REAL300020308814	1	56	-1.0	-40.58	440.58	11.19	-29.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1CCCCC1	REAL300020308815	0	53	-1.0	-43.81	411.44	9.44	-34.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1CCCCC1	REAL300020308815	1	53	-1.0	-43.82	411.50	9.47	-34.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020308816	0	52	-1.0	-44.60	411.12	8.69	-35.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCCO1	REAL300020308816	1	52	-1.0	-44.55	411.07	8.68	-35.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020308817	0	52	-1.0	-43.82	433.17	8.19	-35.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020308817	1	52	-1.0	-43.79	433.23	8.21	-35.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020308818	0	49	-1.0	-46.62	411.77	7.52	-39.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CO1)CC1CCCO1	REAL300020308818	1	49	-1.0	-46.61	411.82	7.54	-39.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020308819	0	49	-1.0	-46.06	405.71	10.31	-35.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C([N+](=O)[O-])C=C1)C(C)C	REAL300020308819	1	49	-1.0	-46.08	405.77	10.33	-35.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020308820	0	48	-1.0	-42.74	381.88	9.74	-33.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1Cl	REAL300020308820	1	48	-1.0	-42.76	381.93	9.77	-32.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020308821	0	47	-1.0	-43.40	398.82	7.22	-36.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020308821	1	47	-1.0	-43.45	398.76	7.20	-36.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020308822	0	44	-1.0	-45.64	380.30	6.63	-39.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(C)N=C1	REAL300020308822	1	44	-1.0	-45.63	380.24	6.61	-39.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020308823	0	59	0.0	-64.18	449.74	7.79	-56.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020308823	1	59	0.0	-64.16	449.79	7.81	-56.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020308824	0	56	0.0	-66.15	424.47	7.28	-58.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC[NH+](CC)CC2)C1	REAL300020308824	1	56	0.0	-66.18	424.52	7.30	-58.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020308825	0	42	-1.0	-40.97	357.91	8.70	-32.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020308825	1	42	-1.0	-40.98	357.97	8.72	-32.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020308826	0	39	-1.0	-44.64	331.14	8.03	-36.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020308826	1	39	-1.0	-44.61	331.08	8.00	-36.61
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020308827	0	46	-1.0	-42.11	386.32	10.67	-31.44
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2C1	REAL300020308827	1	46	-1.0	-42.13	386.35	10.66	-31.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020308828	0	45	-1.0	-39.61	385.41	9.10	-30.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020308828	1	45	-1.0	-39.61	385.47	9.12	-30.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020308829	0	42	-1.0	-42.41	367.67	8.47	-33.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=C(C=CS2)C1	REAL300020308829	1	42	-1.0	-42.41	367.61	8.45	-33.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020308830	0	45	-1.0	-39.72	395.49	9.97	-29.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020308830	1	45	-1.0	-39.73	395.55	9.98	-29.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020308831	0	42	-1.0	-43.28	367.90	9.32	-33.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(Cl)C=CC=C2C1	REAL300020308831	1	42	-1.0	-43.28	367.84	9.30	-33.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020308832	0	48	-1.0	-44.39	406.30	6.12	-38.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020308832	1	48	-1.0	-44.41	406.36	6.13	-38.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020308833	0	45	-1.0	-43.37	382.10	5.22	-38.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC(O)=C1	REAL300020308833	1	45	-1.0	-43.38	382.05	5.19	-38.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC)CC1	REAL300020308834	0	54	-1.0	-39.48	428.26	8.72	-30.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC)CC1	REAL300020308834	1	54	-1.0	-39.51	428.31	8.74	-30.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC)CC1	REAL300020308835	0	51	-1.0	-42.22	402.69	7.79	-34.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC)CC1	REAL300020308835	1	51	-1.0	-42.23	402.75	7.81	-34.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020308836	0	45	-1.0	-49.05	391.91	2.64	-46.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCOCC(F)(F)F	REAL300020308836	1	45	-1.0	-49.06	391.97	2.67	-46.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCC)CCOC	REAL300020308837	0	50	-1.0	-42.22	403.40	6.82	-35.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCC)CCOC	REAL300020308837	1	50	-1.0	-42.21	403.45	6.84	-35.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCC)CCOC	REAL300020308838	0	47	-1.0	-44.85	381.90	6.04	-38.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCC)CCOC	REAL300020308838	1	47	-1.0	-44.83	381.96	6.06	-38.77
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCC)CCOC	REAL300020308839	0	54	-1.0	-43.16	431.82	8.71	-34.45
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCC)CCOC	REAL300020308839	1	54	-1.0	-43.10	431.85	8.70	-34.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300020308840	0	54	0.0	-68.04	436.46	9.90	-58.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300020308840	1	54	0.0	-66.92	422.13	10.71	-56.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020308840	1	53	-1.0	-44.30	425.61	7.52	-36.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1C	REAL300020308840	1	53	-1.0	-44.33	425.67	7.54	-36.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020308841	0	47	-1.0	-45.74	398.65	9.24	-36.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020308841	1	47	-1.0	-45.72	398.70	9.25	-36.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020308842	0	44	-1.0	-48.22	377.20	8.46	-39.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C([N+](=O)[O-])C=C2C1	REAL300020308842	1	44	-1.0	-48.20	377.13	8.43	-39.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020308843	0	45	-1.0	-43.78	377.26	5.70	-38.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020308843	1	45	-1.0	-43.80	377.32	5.72	-38.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020308844	0	42	-1.0	-46.03	345.48	4.44	-41.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020308844	1	42	-1.0	-45.99	345.43	4.41	-41.58
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020308845	0	49	-1.0	-44.84	405.42	7.43	-37.41
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1C	REAL300020308845	1	49	-1.0	-44.76	405.47	7.42	-37.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC	REAL300020308846	0	44	-1.0	-41.05	344.05	7.18	-33.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC	REAL300020308846	1	44	-1.0	-41.01	344.11	7.19	-33.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC	REAL300020308847	0	41	-1.0	-42.91	330.05	6.74	-36.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC	REAL300020308847	1	41	-1.0	-42.93	329.99	6.71	-36.22
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CC	REAL300020308848	0	48	-1.0	-42.15	379.81	9.46	-32.69
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CC	REAL300020308848	1	48	-1.0	-42.12	379.86	9.44	-32.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(SCC)C1	REAL300020308849	0	51	-1.0	-40.96	415.28	9.92	-31.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(SCC)C1	REAL300020308849	1	51	-1.0	-40.97	415.34	9.94	-31.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(SCC)C1	REAL300020308850	0	48	-1.0	-44.92	393.46	9.32	-35.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(SCC)C1	REAL300020308850	1	48	-1.0	-44.91	393.52	9.33	-35.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020308851	0	54	0.0	-69.89	421.54	9.39	-60.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C	REAL300020308851	1	54	0.0	-66.79	422.49	10.77	-56.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020308851	1	53	-1.0	-43.87	431.16	7.38	-36.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C[C@H]1C	REAL300020308851	1	53	-1.0	-43.89	431.22	7.41	-36.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC1CCCCC1	REAL300020308852	0	54	-1.0	-40.54	431.40	10.98	-29.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC1CCCCC1	REAL300020308852	1	54	-1.0	-40.61	431.46	11.00	-29.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1CCCCC1	REAL300020308853	0	51	-1.0	-44.24	405.25	9.54	-34.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1CCCCC1	REAL300020308853	1	51	-1.0	-44.20	405.19	9.52	-34.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020308854	0	44	-1.0	-40.40	363.92	7.65	-32.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020308854	1	44	-1.0	-40.43	363.98	7.67	-32.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CC1	REAL300020308855	0	41	-1.0	-43.91	338.44	6.96	-36.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CC1	REAL300020308855	1	41	-1.0	-43.90	338.38	6.94	-36.96
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020308856	0	48	-1.0	-41.62	391.57	9.70	-31.92
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC1CC1	REAL300020308856	1	48	-1.0	-41.71	391.61	9.69	-32.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020308857	0	48	-1.0	-42.57	403.46	5.49	-37.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020308857	1	48	-1.0	-42.57	403.52	5.51	-37.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCO)C1CC1	REAL300020308858	0	45	-1.0	-45.14	381.65	5.14	-40.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCO)C1CC1	REAL300020308858	1	45	-1.0	-45.15	381.71	5.17	-39.98
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020308859	0	52	-1.0	-43.50	435.60	7.63	-35.87
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCCCO)C1CC1	REAL300020308859	1	52	-1.0	-43.49	435.64	7.60	-35.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020308860	0	45	-1.0	-42.87	376.76	8.62	-34.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020308860	1	45	-1.0	-42.92	376.81	8.64	-34.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020308861	0	42	-1.0	-45.34	355.38	7.86	-37.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1	REAL300020308861	1	42	-1.0	-45.34	355.32	7.84	-37.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020308862	0	51	-1.0	-42.39	424.80	10.75	-31.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020308862	1	51	-1.0	-42.36	424.86	10.76	-31.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020308863	0	48	-1.0	-44.98	408.76	10.11	-34.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=C(F)C=C1)C1CC1	REAL300020308863	1	48	-1.0	-44.97	408.81	10.12	-34.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020308864	0	46	-1.0	-53.44	380.59	4.73	-48.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020308864	1	46	-1.0	-53.41	380.65	4.75	-48.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020308865	0	43	-1.0	-53.23	372.21	4.12	-49.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CS(C)(=O)=O	REAL300020308865	1	43	-1.0	-53.22	372.27	4.15	-49.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020308866	0	48	-1.0	-40.25	391.99	9.91	-30.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020308866	1	48	-1.0	-40.27	392.05	9.93	-30.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020308867	0	45	-1.0	-44.01	357.42	9.13	-34.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2CC1	REAL300020308867	1	45	-1.0	-43.95	357.36	9.11	-34.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020308868	0	51	-1.0	-43.82	417.27	6.57	-37.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020308868	1	51	-1.0	-43.81	417.33	6.58	-37.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020308869	0	48	-1.0	-45.89	397.35	6.05	-39.84
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CCC1=CC=CC=C1	REAL300020308869	1	48	-1.0	-45.83	397.29	6.03	-39.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020308870	0	42	-1.0	-39.72	361.43	6.80	-32.92
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020308870	1	42	-1.0	-39.69	361.48	6.81	-32.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSCC1C	REAL300020308871	0	39	-1.0	-41.87	331.43	6.20	-35.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSCC1C	REAL300020308871	1	39	-1.0	-41.86	331.37	6.18	-35.68
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSCC1C	REAL300020308872	0	46	-1.0	-41.17	389.69	8.77	-32.40
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSCC1C	REAL300020308872	1	46	-1.0	-41.13	389.74	8.76	-32.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020308873	0	49	-1.0	-44.68	394.72	5.94	-38.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020308873	1	49	-1.0	-44.69	394.78	5.95	-38.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020308874	0	46	-1.0	-45.32	376.70	5.64	-39.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(O)C=C1	REAL300020308874	1	46	-1.0	-45.31	376.65	5.62	-39.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020308875	0	49	-1.0	-42.06	410.06	7.49	-34.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020308875	1	49	-1.0	-42.10	410.00	7.47	-34.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020308876	0	46	-1.0	-44.81	377.63	6.42	-38.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C2=NC=CS2)CC1	REAL300020308876	1	46	-1.0	-44.80	377.57	6.39	-38.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020308877	0	48	-1.0	-40.51	384.77	8.70	-31.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020308877	1	48	-1.0	-40.50	384.83	8.72	-31.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2CCCC21	REAL300020308878	0	45	-1.0	-43.52	360.86	8.02	-35.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2CCCC21	REAL300020308878	1	45	-1.0	-43.52	360.81	8.00	-35.52
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020308879	0	52	-1.0	-41.54	414.86	10.69	-30.85
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2CCCC21	REAL300020308879	1	52	-1.0	-41.56	414.91	10.68	-30.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=CC(C#N)=C1	REAL300020308880	0	49	-1.0	-43.98	429.42	10.26	-33.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=CC(C#N)=C1	REAL300020308880	1	49	-1.0	-43.95	429.47	10.28	-33.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=CC(C#N)=C1	REAL300020308881	0	46	-1.0	-44.16	401.51	9.23	-34.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=CC(C#N)=C1	REAL300020308881	1	46	-1.0	-44.14	401.45	9.21	-34.93
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC#C	REAL300020308882	0	43	-1.0	-43.67	366.25	8.65	-35.02
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC#C	REAL300020308882	1	43	-1.0	-43.65	366.34	8.63	-35.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CCC1=CC=CC=C1	REAL300020308883	0	51	-1.0	-40.95	434.26	11.06	-29.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CCC1=CC=CC=C1	REAL300020308883	1	51	-1.0	-40.96	434.32	11.07	-29.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CCC1=CC=CC=C1	REAL300020308884	0	48	-1.0	-45.82	403.62	9.70	-36.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CCC1=CC=CC=C1	REAL300020308884	1	48	-1.0	-45.86	403.56	9.67	-36.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCCOC)CC1=CC=CC=C1	REAL300020308885	0	54	-1.0	-48.29	454.63	9.52	-38.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCCOC)CC1=CC=CC=C1	REAL300020308885	1	54	-1.0	-48.29	454.70	9.55	-38.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020308886	0	54	-1.0	-40.16	440.66	11.12	-29.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020308886	1	54	-1.0	-40.11	440.72	11.13	-28.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020308887	0	51	-1.0	-44.76	413.88	10.05	-34.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1)CC1CCC1	REAL300020308887	1	51	-1.0	-44.76	413.82	10.03	-34.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOCC	REAL300020308888	0	47	-1.0	-40.34	379.00	6.47	-33.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOCC	REAL300020308888	1	47	-1.0	-40.38	379.06	6.49	-33.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOCC	REAL300020308889	0	44	-1.0	-42.35	360.27	5.84	-36.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOCC	REAL300020308889	1	44	-1.0	-42.38	360.21	5.82	-36.56
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCOCC	REAL300020308890	0	51	-1.0	-41.56	406.32	8.44	-33.12
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCOCC	REAL300020308890	1	51	-1.0	-41.57	406.36	8.44	-33.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020308891	0	49	-1.0	-44.14	399.93	7.86	-36.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020308891	1	49	-1.0	-44.16	399.98	7.88	-36.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020308892	0	46	-1.0	-46.95	378.41	7.08	-39.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OC)C=C2C1	REAL300020308892	1	46	-1.0	-46.93	378.35	7.06	-39.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC#C)CC1=CC=C(F)C=C1	REAL300020308893	0	46	-1.0	-41.21	402.07	9.90	-31.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC#C)CC1=CC=C(F)C=C1	REAL300020308893	1	46	-1.0	-41.20	402.13	9.92	-31.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC#C)CC1=CC=C(F)C=C1	REAL300020308894	0	43	-1.0	-43.00	382.44	9.09	-33.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC#C)CC1=CC=C(F)C=C1	REAL300020308894	1	43	-1.0	-42.96	382.36	9.06	-33.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCCC1=CC=CC=C1)CCOC	REAL300020308895	0	54	-1.0	-45.64	441.81	9.06	-36.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCCC1=CC=CC=C1)CCOC	REAL300020308895	1	54	-1.0	-45.66	441.85	9.09	-36.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCCC1	REAL300020308896	0	47	-1.0	-40.60	379.56	7.80	-32.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCCC1	REAL300020308896	1	47	-1.0	-40.59	379.61	7.81	-32.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCCC1	REAL300020308897	0	44	-1.0	-45.03	350.92	6.88	-38.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCCC1	REAL300020308897	1	44	-1.0	-45.05	350.87	6.86	-38.19
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CCCC1	REAL300020308898	0	51	-1.0	-42.86	395.74	9.42	-33.44
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CCCC1	REAL300020308898	1	51	-1.0	-42.85	395.78	9.41	-33.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OCC)C=C2C1	REAL300020308899	0	52	-1.0	-42.15	432.64	9.76	-32.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OCC)C=C2C1	REAL300020308899	1	52	-1.0	-42.12	432.70	9.78	-32.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(OCC)C=C2C1	REAL300020308900	0	49	-1.0	-46.88	400.26	8.01	-38.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(OCC)C=C2C1	REAL300020308900	1	49	-1.0	-46.89	400.20	7.98	-38.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020308901	0	47	-1.0	-42.15	387.22	5.51	-36.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020308901	1	47	-1.0	-42.14	387.28	5.52	-36.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020308902	0	44	-1.0	-44.92	377.89	4.79	-40.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020308902	1	44	-1.0	-44.91	377.83	4.77	-40.14
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020308903	0	51	-1.0	-43.11	427.72	7.56	-35.55
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(=O)NC(C)C	REAL300020308903	1	51	-1.0	-43.06	427.76	7.55	-35.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CS1)CC1CCCO1	REAL300020308904	0	49	-1.0	-43.45	418.86	8.65	-34.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CS1)CC1CCCO1	REAL300020308904	1	49	-1.0	-43.48	418.91	8.68	-34.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020308905	0	52	-1.0	-41.54	429.80	9.33	-32.21
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020308905	1	52	-1.0	-41.54	429.86	9.35	-32.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020308906	0	49	-1.0	-42.96	416.96	8.83	-34.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(OC)C=C1)C1CC1	REAL300020308906	1	49	-1.0	-42.89	416.91	8.81	-34.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OCC)C=C1	REAL300020308907	0	52	-1.0	-44.28	411.65	8.82	-35.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OCC)C=C1	REAL300020308907	1	52	-1.0	-44.27	411.71	8.85	-35.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C(C)C)C=C1)C1CC1	REAL300020308908	0	54	-1.0	-42.54	447.69	11.46	-31.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C(C)C)C=C1)C1CC1	REAL300020308908	1	54	-1.0	-42.57	447.63	11.44	-31.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020308909	0	48	-1.0	-39.99	415.33	10.37	-29.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020308909	1	48	-1.0	-39.99	415.39	10.38	-29.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020308910	0	45	-1.0	-41.62	393.87	9.60	-32.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(F)C=C1)C1CC1	REAL300020308910	1	45	-1.0	-41.59	393.81	9.57	-32.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020308911	0	51	-1.0	-42.77	418.46	5.57	-37.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020308911	1	51	-1.0	-42.73	418.51	5.58	-37.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020308912	0	48	-1.0	-43.84	400.67	4.91	-38.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(O)=C2)CC1	REAL300020308912	1	48	-1.0	-43.82	400.74	4.94	-38.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020308913	0	47	-1.0	-39.95	403.03	9.35	-30.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020308913	1	47	-1.0	-39.96	403.09	9.37	-30.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020308914	0	44	-1.0	-41.81	381.63	8.57	-33.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C=C1	REAL300020308914	1	44	-1.0	-41.79	381.58	8.55	-33.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020308915	0	48	-1.0	-45.12	380.80	7.11	-38.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020308915	1	48	-1.0	-45.14	380.86	7.13	-38.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020308916	0	45	-1.0	-48.37	359.83	6.36	-42.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(C)=O)CC1	REAL300020308916	1	45	-1.0	-48.38	359.89	6.39	-41.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020308917	0	48	-1.0	-42.32	389.85	10.59	-31.73
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020308917	1	48	-1.0	-42.37	389.91	10.61	-31.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020308918	0	45	-1.0	-43.85	376.61	9.87	-33.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC=C1	REAL300020308918	1	45	-1.0	-43.82	376.55	9.84	-33.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020308919	0	52	-1.0	-45.14	423.02	10.00	-35.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020308919	1	52	-1.0	-45.14	423.08	10.01	-35.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020308920	0	49	-1.0	-48.73	405.12	9.44	-39.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020308920	1	49	-1.0	-48.75	405.07	9.42	-39.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020308921	0	42	-1.0	-42.33	361.52	7.81	-34.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020308921	1	42	-1.0	-42.34	361.57	7.83	-34.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020308922	0	39	-1.0	-44.32	340.15	7.03	-37.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CS2)C1	REAL300020308922	1	39	-1.0	-44.35	340.10	7.01	-37.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020308923	0	47	-1.0	-40.92	409.40	9.39	-31.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020308923	1	47	-1.0	-40.89	409.46	9.40	-31.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020308924	0	44	-1.0	-42.61	381.12	9.13	-33.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=C(F)C(F)=C1	REAL300020308924	1	44	-1.0	-42.58	381.06	9.10	-33.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020308925	0	51	-1.0	-41.68	410.82	9.57	-32.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020308925	1	51	-1.0	-41.74	410.88	9.59	-32.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020308926	0	48	-1.0	-43.29	392.14	8.80	-34.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC=C1	REAL300020308926	1	48	-1.0	-43.25	392.09	8.77	-34.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020308927	0	49	-1.0	-50.05	413.24	4.68	-45.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020308927	1	49	-1.0	-50.06	413.30	4.69	-45.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020308928	0	46	-1.0	-52.37	391.74	3.89	-48.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(S(C)(=O)=O)CC1	REAL300020308928	1	46	-1.0	-52.37	391.80	3.92	-48.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020308929	0	56	-1.0	-42.34	434.52	6.92	-35.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)CN1CCOCC1	REAL300020308929	1	56	-1.0	-42.34	434.58	6.94	-35.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C[NH+]1CCOCC1	REAL300020308929	1	57	0.0	-64.95	427.13	8.62	-56.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020308930	0	45	-1.0	-40.15	376.55	8.63	-31.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020308930	1	45	-1.0	-40.12	376.61	8.64	-31.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2)C1	REAL300020308931	0	42	-1.0	-44.41	344.05	8.20	-36.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2)C1	REAL300020308931	1	42	-1.0	-44.39	343.99	8.19	-36.20
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020308932	0	49	-1.0	-41.78	401.28	10.84	-30.94
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CC2)C1	REAL300020308932	1	49	-1.0	-41.70	401.32	10.84	-30.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020308933	0	49	-1.0	-41.90	392.69	7.36	-34.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020308933	1	49	-1.0	-41.94	392.75	7.38	-34.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020308934	0	46	-1.0	-45.28	366.79	6.53	-38.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)C1	REAL300020308934	1	46	-1.0	-45.29	366.85	6.55	-38.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020308935	0	51	-1.0	-45.09	424.97	7.56	-37.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC(C)=CC=N2)CC1	REAL300020308935	1	51	-1.0	-45.08	425.03	7.58	-37.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CC)C1	REAL300020308936	0	47	-1.0	-40.84	371.16	8.26	-32.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CC)C1	REAL300020308936	1	47	-1.0	-40.84	371.22	8.27	-32.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CC)C1	REAL300020308937	0	44	-1.0	-42.64	352.66	7.67	-34.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CC)C1	REAL300020308937	1	44	-1.0	-42.65	352.60	7.65	-35.00
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(CC)C1	REAL300020308938	0	51	-1.0	-41.73	402.45	10.41	-31.32
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(CC)C1	REAL300020308938	1	51	-1.0	-41.72	402.47	10.40	-31.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020308939	0	54	-1.0	-43.93	434.01	11.44	-32.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CCC2=CC=CC=C2)C1	REAL300020308939	1	54	-1.0	-43.96	434.07	11.46	-32.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020308940	0	52	-1.0	-41.12	412.43	7.98	-33.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020308940	1	52	-1.0	-41.06	412.49	7.99	-33.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020308941	0	49	-1.0	-43.54	394.08	7.29	-36.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)C1	REAL300020308941	1	49	-1.0	-43.52	394.14	7.32	-36.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=C(OC)C=C1	REAL300020308942	0	54	-1.0	-48.79	441.20	9.83	-38.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=C(OC)C=C1	REAL300020308942	1	54	-1.0	-48.77	441.25	9.86	-38.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020308943	0	44	-1.0	-40.52	401.50	9.60	-30.92
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020308943	1	44	-1.0	-40.48	401.56	9.62	-30.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020308944	0	41	-1.0	-41.95	379.61	8.86	-33.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(Cl)=C1	REAL300020308944	1	41	-1.0	-41.97	379.67	8.89	-33.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020308945	0	50	-1.0	-41.09	427.03	8.79	-32.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020308945	1	50	-1.0	-41.09	427.08	8.81	-32.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020308946	0	47	-1.0	-43.71	405.08	8.19	-35.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=C(C)S2)CC1	REAL300020308946	1	47	-1.0	-43.70	405.14	8.21	-35.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020308947	0	46	-1.0	-41.01	407.10	7.82	-33.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020308947	1	46	-1.0	-41.01	407.15	7.84	-33.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020308948	0	43	-1.0	-42.52	380.11	7.41	-35.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(CC)S1	REAL300020308948	1	43	-1.0	-42.55	380.17	7.44	-35.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020308949	0	48	-1.0	-43.96	396.98	5.00	-38.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020308949	1	48	-1.0	-43.94	397.04	5.01	-38.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020308950	0	45	-1.0	-46.62	376.28	4.02	-42.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020308950	1	45	-1.0	-46.60	376.34	4.05	-42.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020308951	0	48	-1.0	-45.93	409.78	6.99	-38.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300020308951	1	48	-1.0	-45.95	409.72	6.98	-38.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020308952	0	48	-1.0	-49.17	413.84	6.90	-42.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300020308952	1	48	-1.0	-49.16	413.79	6.88	-42.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020308953	0	51	-1.0	-40.85	431.80	8.22	-32.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020308953	1	51	-1.0	-40.83	431.86	8.23	-32.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020308954	0	48	-1.0	-41.90	410.21	7.43	-34.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C(C)C)N=C1	REAL300020308954	1	48	-1.0	-41.94	410.26	7.45	-34.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020308955	0	54	-1.0	-47.02	434.56	8.40	-38.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020308955	1	54	-1.0	-47.07	434.61	8.41	-38.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020308956	0	51	-1.0	-49.09	413.27	7.59	-41.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N(C)C)CC1	REAL300020308956	1	51	-1.0	-49.09	413.33	7.61	-41.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020308957	0	44	-1.0	-40.96	391.26	9.37	-31.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020308957	1	44	-1.0	-40.97	391.31	9.39	-31.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020308958	0	41	-1.0	-42.49	369.75	8.59	-33.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=C(F)C(F)=C1	REAL300020308958	1	41	-1.0	-42.46	369.81	8.61	-33.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(COC)C1	REAL300020308959	0	49	-1.0	-40.91	405.02	6.18	-34.73
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(COC)C1	REAL300020308959	1	49	-1.0	-40.90	405.08	6.19	-34.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(COC)C1	REAL300020308960	0	46	-1.0	-42.17	383.53	5.39	-36.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(COC)C1	REAL300020308960	1	46	-1.0	-42.19	383.59	5.42	-36.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020308961	0	45	-1.0	-44.95	389.99	6.29	-38.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020308961	1	45	-1.0	-44.90	390.05	6.30	-38.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020308962	0	42	-1.0	-46.45	368.56	5.52	-40.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CN=CC=N1	REAL300020308962	1	42	-1.0	-46.42	368.50	5.50	-40.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020308963	0	45	-1.0	-52.38	368.11	3.74	-48.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020308963	1	45	-1.0	-52.38	368.17	3.76	-48.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020308964	0	42	-1.0	-53.70	347.42	2.95	-50.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020308964	1	42	-1.0	-53.71	347.36	2.93	-50.78
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020308965	0	49	-1.0	-53.02	399.97	5.90	-47.12
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C(N)=O)C1	REAL300020308965	1	49	-1.0	-52.96	400.00	5.89	-47.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020308966	0	47	-1.0	-44.98	387.75	7.70	-37.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020308966	1	47	-1.0	-44.96	387.81	7.71	-37.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020308967	0	44	-1.0	-44.81	369.20	7.09	-37.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC)C1	REAL300020308967	1	44	-1.0	-44.83	369.26	7.11	-37.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(COC)CC1	REAL300020308968	0	51	-1.0	-40.67	405.67	7.40	-33.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(COC)CC1	REAL300020308968	1	51	-1.0	-40.67	405.72	7.41	-33.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(COC)CC1	REAL300020308969	0	48	-1.0	-42.82	384.14	6.84	-35.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(COC)CC1	REAL300020308969	1	48	-1.0	-42.81	384.19	6.87	-35.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020308970	0	49	-1.0	-39.99	403.61	8.28	-31.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020308970	1	49	-1.0	-40.02	403.66	8.29	-31.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020308971	0	46	-1.0	-42.93	375.03	7.60	-35.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2CC2)C1	REAL300020308971	1	46	-1.0	-42.94	375.09	7.62	-35.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=NC=CS2)CC1	REAL300020308972	0	49	-1.0	-44.73	417.86	5.73	-39.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=NC=CS2)CC1	REAL300020308972	1	49	-1.0	-44.69	417.91	5.75	-38.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CSC=C2)CC1	REAL300020308973	0	50	-1.0	-41.95	422.14	7.56	-34.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CSC=C2)CC1	REAL300020308973	1	50	-1.0	-41.98	422.19	7.59	-34.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CSC=C2)CC1	REAL300020308973	1	51	0.0	-63.65	411.13	9.45	-54.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C(F)(F)F)=CS1	REAL300020308974	0	40	-1.0	-41.75	377.68	6.87	-34.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C(F)(F)F)=CS1	REAL300020308974	1	40	-1.0	-41.79	377.74	6.89	-34.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020308975	0	47	-1.0	-41.17	407.73	9.81	-31.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020308975	1	47	-1.0	-41.17	407.79	9.82	-31.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020308976	0	44	-1.0	-43.12	386.29	9.05	-34.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1F	REAL300020308976	1	44	-1.0	-43.14	386.23	9.02	-34.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020308977	0	45	-1.0	-40.20	376.66	6.51	-33.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020308977	1	45	-1.0	-40.20	376.72	6.53	-33.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020308978	0	42	-1.0	-42.16	354.53	5.96	-36.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020308978	1	42	-1.0	-42.15	354.47	5.94	-36.21
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020308979	0	49	-1.0	-42.11	393.62	8.53	-33.58
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)O[C@@H](C)C1	REAL300020308979	1	49	-1.0	-42.04	393.64	8.52	-33.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020308980	0	50	-1.0	-44.63	411.08	8.88	-35.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020308980	1	50	-1.0	-44.64	411.14	8.90	-35.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020308981	0	47	-1.0	-49.28	390.14	8.28	-41.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OCC)C1	REAL300020308981	1	47	-1.0	-49.30	390.18	8.30	-41.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020308982	0	48	-1.0	-40.12	392.55	7.34	-32.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020308982	1	48	-1.0	-40.10	392.61	7.35	-32.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020308983	0	45	-1.0	-42.74	364.76	6.71	-36.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020308983	1	45	-1.0	-42.76	364.71	6.68	-36.08
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020308984	0	52	-1.0	-41.98	409.54	9.35	-32.63
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(C)(C)C1	REAL300020308984	1	52	-1.0	-41.98	409.56	9.35	-32.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020308985	0	47	-1.0	-39.98	400.20	9.74	-30.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020308985	1	47	-1.0	-39.99	400.26	9.76	-30.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020308986	0	44	-1.0	-42.38	378.48	9.01	-33.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020308986	1	44	-1.0	-42.36	378.42	8.98	-33.38
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020308987	0	51	-1.0	-41.79	420.10	11.79	-30.00
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C)C=C1	REAL300020308987	1	51	-1.0	-41.75	420.14	11.78	-29.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020308988	0	52	-1.0	-41.77	428.26	9.71	-32.06
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020308988	1	52	-1.0	-41.75	428.32	9.72	-32.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020308989	0	49	-1.0	-43.56	408.59	9.23	-34.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CC=CC=C2)C1	REAL300020308989	1	49	-1.0	-43.53	408.65	9.26	-34.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC)C1	REAL300020308990	0	48	-1.0	-39.98	392.18	7.74	-32.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC)C1	REAL300020308990	1	48	-1.0	-39.98	392.24	7.76	-32.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC)C1	REAL300020308991	0	45	-1.0	-41.83	370.69	6.96	-34.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC)C1	REAL300020308991	1	45	-1.0	-41.80	370.74	6.98	-34.82
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)OC(CC)C1	REAL300020308992	0	52	-1.0	-41.70	419.46	9.47	-32.23
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)OC(CC)C1	REAL300020308992	1	52	-1.0	-41.63	419.50	9.46	-32.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020308993	0	52	-1.0	-44.61	427.33	10.15	-34.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)CC1	REAL300020308993	1	52	-1.0	-44.65	427.39	10.16	-34.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020308994	0	40	-1.0	-41.55	359.31	7.27	-34.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020308994	1	40	-1.0	-41.52	359.36	7.28	-34.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)(F)F	REAL300020308995	0	37	-1.0	-42.63	337.73	6.50	-36.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)(F)F	REAL300020308995	1	37	-1.0	-42.62	337.80	6.53	-36.09
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(F)(F)F	REAL300020308996	0	44	-1.0	-43.01	387.61	9.27	-33.74
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(F)(F)F	REAL300020308996	1	44	-1.0	-43.02	387.65	9.26	-33.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020308997	0	46	-1.0	-40.85	407.71	7.81	-33.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020308997	1	46	-1.0	-40.86	407.77	7.82	-33.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020308998	0	43	-1.0	-46.97	379.62	6.90	-40.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(CC)=N1	REAL300020308998	1	43	-1.0	-46.99	379.68	6.93	-40.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020308999	0	40	-1.0	-43.06	357.70	6.22	-36.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020308999	1	40	-1.0	-43.03	357.75	6.24	-36.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=N1	REAL300020309000	0	37	-1.0	-46.90	336.25	5.46	-41.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=N1	REAL300020309000	1	37	-1.0	-46.91	336.19	5.44	-41.47
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CSC=N1	REAL300020309001	0	44	-1.0	-44.78	380.48	8.10	-36.68
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CSC=N1	REAL300020309001	1	44	-1.0	-44.76	380.53	8.09	-36.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020309002	0	49	-1.0	-49.41	411.90	4.47	-44.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)S(C)(=O)=O)CC1	REAL300020309002	1	49	-1.0	-49.45	411.96	4.49	-44.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020309003	0	50	-1.0	-39.98	392.07	8.48	-31.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020309003	1	50	-1.0	-39.93	392.13	8.50	-31.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020309004	0	47	-1.0	-42.82	368.72	8.06	-34.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020309004	1	47	-1.0	-42.87	368.78	8.08	-34.79
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020309005	0	54	-1.0	-41.93	412.87	10.66	-31.27
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)(C)C)C1	REAL300020309005	1	54	-1.0	-41.92	412.88	10.64	-31.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020309006	0	50	-1.0	-39.71	389.74	9.25	-30.46
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020309006	1	50	-1.0	-39.72	389.80	9.26	-30.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020309007	0	47	-1.0	-42.74	371.54	8.44	-34.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020309007	1	47	-1.0	-42.74	371.48	8.41	-34.33
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020309008	0	54	-1.0	-40.74	417.22	11.17	-29.57
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(C)(C)C1	REAL300020309008	1	54	-1.0	-40.70	417.26	11.17	-29.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020309009	0	50	-1.0	-40.54	405.71	6.00	-34.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020309009	1	50	-1.0	-40.58	405.77	6.01	-34.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020309010	0	47	-1.0	-42.05	384.22	5.22	-36.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2C)C1	REAL300020309010	1	47	-1.0	-42.08	384.26	5.24	-36.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020309011	0	53	-1.0	-40.55	417.89	7.99	-32.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020309011	1	53	-1.0	-40.56	417.94	8.01	-32.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020309012	0	50	-1.0	-43.66	392.28	7.18	-36.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2C)C1	REAL300020309012	1	50	-1.0	-43.68	392.33	7.21	-36.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020309013	0	53	-1.0	-43.28	435.90	9.54	-33.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC(C)C)C1	REAL300020309013	1	53	-1.0	-43.31	435.96	9.56	-33.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020309014	0	47	-1.0	-47.33	409.03	5.97	-41.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(=O)OC)N=N2)C1	REAL300020309014	1	47	-1.0	-47.32	408.97	5.95	-41.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020309015	0	46	-1.0	-44.92	404.14	8.15	-36.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)C(=O)C1	REAL300020309015	1	46	-1.0	-44.89	404.20	8.17	-36.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020309016	0	57	-1.0	-40.32	423.71	10.80	-29.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020309016	1	57	-1.0	-40.33	423.77	10.82	-29.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020309017	0	54	-1.0	-44.20	391.83	9.48	-34.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCCCC2)C1	REAL300020309017	1	54	-1.0	-44.22	391.88	9.50	-34.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020309018	0	51	-1.0	-38.83	407.34	9.74	-29.09
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020309018	1	51	-1.0	-38.84	407.40	9.76	-29.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020309019	0	48	-1.0	-42.08	384.71	9.25	-32.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(CC)(CC)C1	REAL300020309019	1	48	-1.0	-42.04	384.76	9.26	-32.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020309020	0	50	-1.0	-39.91	403.93	8.23	-31.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020309020	1	50	-1.0	-39.96	403.98	8.25	-31.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020309021	0	47	-1.0	-42.88	381.85	7.48	-35.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCOCC2)C1	REAL300020309021	1	47	-1.0	-42.85	381.91	7.51	-35.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020309022	0	45	-1.0	-40.13	366.07	8.65	-31.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020309022	1	45	-1.0	-40.16	366.13	8.66	-31.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2)C1	REAL300020309023	0	42	-1.0	-42.05	353.37	7.98	-34.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2)C1	REAL300020309023	1	42	-1.0	-42.03	353.32	7.96	-34.07
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020309024	0	49	-1.0	-41.24	400.99	10.93	-30.31
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CC2)C1	REAL300020309024	1	49	-1.0	-41.24	401.09	10.92	-30.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020309025	0	53	-1.0	-39.52	405.99	9.29	-30.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020309025	1	53	-1.0	-39.56	406.05	9.31	-30.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020309026	0	50	-1.0	-42.52	380.50	8.57	-33.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)CC1	REAL300020309026	1	50	-1.0	-42.53	380.55	8.58	-33.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020309027	0	47	-1.0	-48.04	392.50	6.65	-41.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300020309027	1	47	-1.0	-48.10	392.44	6.62	-41.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020309028	0	53	-1.0	-39.55	401.65	9.04	-30.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020309028	1	53	-1.0	-39.53	401.71	9.05	-30.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020309029	0	50	-1.0	-41.78	383.31	8.58	-33.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(C)C)CC1	REAL300020309029	1	50	-1.0	-41.73	383.37	8.61	-33.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)C1	REAL300020309030	0	50	-1.0	-40.73	397.18	9.41	-31.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)C1	REAL300020309030	1	50	-1.0	-40.74	397.24	9.43	-31.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)C1	REAL300020309031	0	47	-1.0	-44.04	375.54	8.60	-35.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)C1	REAL300020309031	1	47	-1.0	-44.03	375.60	8.63	-35.40
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(C)C)C1	REAL300020309032	0	54	-1.0	-41.72	425.51	11.37	-30.35
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(C)C)C1	REAL300020309032	1	54	-1.0	-41.74	425.56	11.37	-30.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)CC1	REAL300020309033	0	52	-1.0	-41.43	431.44	6.68	-34.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)CC1	REAL300020309033	1	52	-1.0	-41.42	431.49	6.70	-34.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)CC1	REAL300020309034	0	49	-1.0	-44.36	406.78	6.01	-38.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)CC1	REAL300020309034	1	49	-1.0	-44.35	406.84	6.03	-38.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC)C1	REAL300020309035	0	45	-1.0	-41.06	368.11	6.30	-34.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC)C1	REAL300020309035	1	45	-1.0	-41.05	368.17	6.31	-34.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)C1	REAL300020309036	0	42	-1.0	-43.69	350.18	5.72	-37.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)C1	REAL300020309036	1	42	-1.0	-43.66	350.12	5.70	-37.96
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COC)C1	REAL300020309037	0	49	-1.0	-41.72	400.08	8.28	-33.44
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COC)C1	REAL300020309037	1	49	-1.0	-41.73	400.11	8.27	-33.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020309038	0	50	-1.0	-40.77	384.65	9.21	-31.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020309038	1	50	-1.0	-40.76	384.71	9.23	-31.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020309039	0	47	-1.0	-42.72	357.73	8.53	-34.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020309039	1	47	-1.0	-42.73	357.79	8.55	-34.18
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020309040	0	54	-1.0	-41.84	412.28	10.52	-31.32
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020309040	1	54	-1.0	-41.85	412.30	10.52	-31.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020309041	0	53	-1.0	-43.73	438.00	9.51	-34.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020309041	1	53	-1.0	-43.79	438.05	9.52	-34.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020309042	0	50	-1.0	-45.61	416.49	8.72	-36.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)CC1	REAL300020309042	1	50	-1.0	-45.57	416.54	8.75	-36.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020309043	0	52	-1.0	-41.31	426.11	9.51	-31.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020309043	1	52	-1.0	-41.32	426.17	9.52	-31.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020309044	0	49	-1.0	-44.46	400.96	8.83	-35.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020309044	1	49	-1.0	-44.49	401.02	8.86	-35.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C=C)CC1	REAL300020309045	0	45	-1.0	-39.50	376.94	8.58	-30.92
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C=C)CC1	REAL300020309045	1	45	-1.0	-39.48	377.00	8.60	-30.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C=C)CC1	REAL300020309046	0	42	-1.0	-41.78	355.49	7.82	-33.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C=C)CC1	REAL300020309046	1	42	-1.0	-41.77	355.44	7.80	-33.97
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C=C)CC1	REAL300020309047	0	49	-1.0	-40.71	403.74	10.51	-30.20
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C=C)CC1	REAL300020309047	1	49	-1.0	-40.66	403.77	10.50	-30.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020309048	0	50	-1.0	-44.67	420.73	4.78	-39.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020309048	1	50	-1.0	-44.71	420.79	4.81	-39.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)CCC)CC1	REAL300020309049	0	54	-1.0	-46.39	445.05	7.35	-39.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)CCC)CC1	REAL300020309049	1	54	-1.0	-46.43	445.11	7.36	-39.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)CCC)CC1	REAL300020309050	0	51	-1.0	-49.35	423.54	6.56	-42.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)CCC)CC1	REAL300020309050	1	51	-1.0	-49.37	423.60	6.59	-42.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020309051	0	54	-1.0	-45.76	439.49	7.36	-38.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020309051	1	54	-1.0	-45.81	439.55	7.38	-38.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020309052	0	51	-1.0	-47.35	418.45	6.58	-40.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C(C)C)CC1	REAL300020309052	1	51	-1.0	-47.36	418.51	6.60	-40.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020309053	0	52	-1.0	-49.80	436.27	5.95	-43.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020309053	1	52	-1.0	-49.83	436.33	5.96	-43.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020309054	0	49	-1.0	-52.79	414.76	5.16	-47.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)COC)CC1	REAL300020309054	1	49	-1.0	-52.82	414.82	5.19	-47.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020309055	0	50	-1.0	-44.67	420.73	4.78	-39.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300020309055	1	50	-1.0	-44.71	420.79	4.81	-39.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020309056	0	55	-1.0	-48.74	450.43	7.84	-40.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020309056	1	55	-1.0	-48.71	450.49	7.85	-40.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020309057	0	52	-1.0	-49.67	432.65	7.18	-42.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCC2CC2)C1	REAL300020309057	1	52	-1.0	-49.72	432.70	7.21	-42.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020309058	0	51	-1.0	-47.91	422.27	6.67	-41.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020309058	1	51	-1.0	-47.87	422.33	6.68	-41.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020309059	0	48	-1.0	-51.02	401.01	5.68	-45.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(C)=O)C1	REAL300020309059	1	48	-1.0	-51.03	401.07	5.70	-45.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020309060	0	51	-1.0	-45.59	423.12	6.48	-39.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020309060	1	51	-1.0	-45.66	423.18	6.50	-39.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020309061	0	48	-1.0	-47.21	401.31	5.70	-41.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)CC1	REAL300020309061	1	48	-1.0	-47.21	401.37	5.73	-41.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020309062	0	52	-1.0	-44.64	413.28	5.83	-38.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC(C)(C)C)C1	REAL300020309062	1	52	-1.0	-44.68	413.34	5.86	-38.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOCC)CC1	REAL300020309063	0	53	-1.0	-41.93	429.86	5.73	-36.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOCC)CC1	REAL300020309063	1	53	-1.0	-41.92	429.92	5.74	-36.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020309063	1	54	0.0	-65.20	430.60	7.99	-57.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCC)CC1	REAL300020309064	0	50	-1.0	-44.16	411.71	5.00	-39.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCC)CC1	REAL300020309064	1	50	-1.0	-44.15	411.77	5.03	-39.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCC)CC1	REAL300020309064	1	51	0.0	-63.50	408.69	7.39	-56.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020309065	0	53	-1.0	-40.65	433.19	9.02	-31.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020309065	1	53	-1.0	-40.65	433.25	9.04	-31.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020309066	0	50	-1.0	-42.62	411.04	8.44	-34.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2)CC1	REAL300020309066	1	50	-1.0	-42.61	411.10	8.47	-34.14
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC	REAL300020309067	0	44	-1.0	-40.96	369.47	8.89	-32.07
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC	REAL300020309067	1	44	-1.0	-40.93	369.52	8.88	-32.05
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020309068	0	54	0.0	-65.89	418.72	9.41	-56.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020309068	1	54	0.0	-65.86	418.78	9.43	-56.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020309069	0	51	0.0	-65.65	397.11	8.83	-56.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCC2)CC1	REAL300020309069	1	51	0.0	-65.65	397.17	8.85	-56.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020309070	0	47	-1.0	-40.00	381.28	6.38	-33.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020309070	1	47	-1.0	-40.01	381.34	6.40	-33.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020309070	1	48	0.0	-63.05	388.07	8.80	-54.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)CC1	REAL300020309071	0	44	-1.0	-42.38	359.79	5.60	-36.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)CC1	REAL300020309071	1	44	-1.0	-42.39	359.85	5.62	-36.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020309071	1	45	0.0	-60.32	361.33	8.13	-52.19
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020309072	0	51	-1.0	-41.21	408.26	8.31	-32.90
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C2CC2)CC1	REAL300020309072	1	52	0.0	-67.67	419.71	10.83	-56.84
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C2CC2)CC1	REAL300020309072	1	51	-1.0	-41.26	408.16	8.29	-32.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020309073	0	45	-1.0	-42.05	370.24	6.57	-35.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020309073	1	45	-1.0	-42.07	370.30	6.58	-35.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020309074	0	42	-1.0	-43.95	350.95	5.77	-38.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020309074	1	42	-1.0	-43.93	350.89	5.74	-38.19
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020309075	0	49	-1.0	-43.51	394.11	8.44	-35.07
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020309075	1	49	-1.0	-43.55	394.14	8.43	-35.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020309076	0	54	-1.0	-45.11	424.25	7.60	-37.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020309076	1	54	-1.0	-45.11	424.31	7.61	-37.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020309077	0	51	-1.0	-45.13	407.08	6.97	-38.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)(C)C)CC1	REAL300020309077	1	51	-1.0	-45.15	407.13	6.99	-38.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020309078	0	47	-1.0	-44.55	408.09	7.58	-36.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=N2)CC1	REAL300020309078	1	47	-1.0	-44.56	408.03	7.56	-37.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020309079	0	41	-1.0	-40.70	354.73	7.56	-33.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020309079	1	41	-1.0	-40.70	354.79	7.57	-33.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1	REAL300020309080	0	38	-1.0	-42.23	332.93	6.77	-35.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1	REAL300020309080	1	38	-1.0	-42.25	332.98	6.79	-35.46
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020309081	0	45	-1.0	-42.30	383.13	9.59	-32.71
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)CC1	REAL300020309081	1	45	-1.0	-42.25	383.17	9.58	-32.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020309082	0	53	-1.0	-42.18	435.57	9.62	-32.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C)=CC=C2C)CC1	REAL300020309082	1	53	-1.0	-42.16	435.63	9.65	-32.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020309083	0	49	-1.0	-48.52	408.14	6.33	-42.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020309083	1	49	-1.0	-48.50	408.19	6.35	-42.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020309084	0	46	-1.0	-51.00	390.34	5.67	-45.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)COC)CC1	REAL300020309084	1	46	-1.0	-51.07	390.40	5.70	-45.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020309085	0	48	-1.0	-48.92	407.01	7.38	-41.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300020309085	1	48	-1.0	-48.93	406.95	7.35	-41.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020309086	0	50	-1.0	-44.67	421.52	7.88	-36.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(F)=C2)CC1	REAL300020309086	1	50	-1.0	-44.69	421.57	7.91	-36.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020309087	0	46	-1.0	-43.72	404.86	7.49	-36.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300020309087	1	46	-1.0	-43.74	404.80	7.46	-36.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020309088	0	47	-1.0	-39.88	400.26	9.71	-30.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020309088	1	47	-1.0	-39.91	400.31	9.72	-30.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020309089	0	44	-1.0	-42.29	378.48	9.00	-33.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020309089	1	44	-1.0	-42.31	378.43	8.97	-33.34
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020309090	0	51	-1.0	-42.07	416.39	11.73	-30.34
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(C)=C1	REAL300020309090	1	51	-1.0	-42.14	416.41	11.72	-30.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020309091	0	44	-1.0	-41.33	391.61	9.16	-32.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020309091	1	44	-1.0	-41.30	391.67	9.18	-32.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020309092	0	41	-1.0	-42.76	369.78	8.45	-34.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C(F)=C1	REAL300020309092	1	41	-1.0	-42.73	369.72	8.43	-34.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020309093	0	38	-1.0	-44.26	353.79	7.31	-36.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Br)O1	REAL300020309093	1	38	-1.0	-44.24	353.85	7.34	-36.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020309094	0	45	-1.0	-42.61	393.13	9.58	-33.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C#N)=C1	REAL300020309094	1	45	-1.0	-42.56	393.19	9.60	-32.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020309096	0	45	-1.0	-42.56	393.11	9.58	-32.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020309096	1	45	-1.0	-42.58	393.17	9.59	-32.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020309097	0	42	-1.0	-43.15	377.91	8.72	-34.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C#N)C=C1	REAL300020309097	1	42	-1.0	-43.17	377.83	8.70	-34.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020309098	0	53	-1.0	-39.44	413.90	9.47	-29.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020309098	1	53	-1.0	-39.47	413.96	9.49	-29.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020309099	0	50	-1.0	-42.17	396.12	8.80	-33.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC(C)(C)C1	REAL300020309099	1	50	-1.0	-42.12	396.17	8.83	-33.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020309100	0	48	-1.0	-41.63	417.67	10.02	-31.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020309100	1	48	-1.0	-41.61	417.73	10.04	-31.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020309101	0	45	-1.0	-44.43	386.78	9.07	-35.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1SC	REAL300020309101	1	45	-1.0	-44.41	386.72	9.04	-35.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020309102	0	53	-1.0	-39.91	417.67	9.85	-30.06
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020309102	1	53	-1.0	-39.96	417.73	9.87	-30.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020309103	0	50	-1.0	-43.36	393.44	9.27	-34.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(C)C)C1	REAL300020309103	1	50	-1.0	-43.41	393.50	9.29	-34.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020309104	0	58	0.0	-65.57	452.60	9.56	-56.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020309104	1	58	0.0	-65.56	452.66	9.58	-55.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020309105	0	51	-1.0	-42.62	411.50	7.82	-34.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020309105	1	51	-1.0	-42.64	411.56	7.83	-34.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020309106	0	48	-1.0	-43.70	389.90	6.98	-36.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(C)C)C(=O)C1	REAL300020309106	1	48	-1.0	-43.78	389.96	7.02	-36.76
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020309107	1	48	-1.0	-43.75	396.03	6.46	-37.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020309108	0	45	-1.0	-46.11	373.99	5.95	-40.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=N2)C1	REAL300020309108	1	45	-1.0	-46.09	373.93	5.92	-40.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020309109	0	48	-1.0	-39.90	408.12	9.78	-30.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020309109	1	48	-1.0	-39.92	408.18	9.80	-30.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020309110	0	45	-1.0	-42.42	386.18	9.18	-33.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CSC=C2)CC1	REAL300020309110	1	45	-1.0	-42.44	386.24	9.19	-33.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020309111	0	48	-1.0	-42.07	409.90	10.56	-31.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020309111	1	48	-1.0	-42.07	409.96	10.57	-31.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020309112	0	45	-1.0	-44.90	390.09	9.71	-35.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)C1CC1	REAL300020309112	1	45	-1.0	-44.83	390.03	9.69	-35.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC	REAL300020309113	0	43	-1.0	-40.72	350.37	6.79	-33.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC	REAL300020309113	1	43	-1.0	-40.72	350.43	6.80	-33.92
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCC	REAL300020309114	0	47	-1.0	-42.00	377.68	8.78	-33.22
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCC	REAL300020309114	1	47	-1.0	-41.96	377.72	8.78	-33.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020309115	0	52	-1.0	-45.98	429.78	7.42	-38.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020309115	1	52	-1.0	-46.03	429.84	7.44	-38.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020309116	0	49	-1.0	-47.95	408.08	6.82	-41.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)C2CC2)CC1	REAL300020309116	1	49	-1.0	-47.96	408.13	6.84	-41.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020309117	0	47	-1.0	-46.78	406.76	7.92	-38.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2F)CC1	REAL300020309117	1	47	-1.0	-46.74	406.82	7.94	-38.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020309118	0	46	-1.0	-43.62	381.29	5.57	-38.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020309118	1	46	-1.0	-43.64	381.35	5.59	-38.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020309119	0	43	-1.0	-46.68	362.41	4.95	-41.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020309119	1	43	-1.0	-46.73	362.47	4.97	-41.76
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020309120	0	50	-1.0	-44.92	412.25	7.70	-37.22
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](OC)[C@@H](OC)C1	REAL300020309120	1	50	-1.0	-44.91	412.29	7.69	-37.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C(C)OCC)=NO1	REAL300020309121	0	49	-1.0	-42.36	425.90	4.68	-37.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C(C)OCC)=NO1	REAL300020309121	1	49	-1.0	-42.43	425.96	4.70	-37.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020309122	0	55	-1.0	-44.01	436.65	8.88	-35.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020309122	1	55	-1.0	-44.03	436.71	8.89	-35.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020309123	0	52	-1.0	-46.80	410.79	8.18	-38.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCCC2=O)CC1	REAL300020309123	1	52	-1.0	-46.80	410.85	8.19	-38.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020309124	0	56	0.0	-68.54	428.94	9.98	-58.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020309124	1	56	0.0	-68.96	426.09	9.77	-59.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020309124	1	56	0.0	-68.60	428.99	10.00	-58.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020309124	1	56	0.0	-68.96	426.15	9.78	-59.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020309125	0	53	0.0	-66.76	412.24	9.35	-57.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020309125	1	53	0.0	-69.26	409.38	9.12	-60.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCC)C1	REAL300020309125	1	53	0.0	-66.77	412.30	9.38	-57.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCC)C1	REAL300020309125	1	53	0.0	-69.27	409.44	9.15	-60.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCCOC)C1	REAL300020309126	0	52	-1.0	-42.47	424.38	6.53	-35.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCCOC)C1	REAL300020309126	1	52	-1.0	-42.45	424.44	6.54	-35.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCCOC)C1	REAL300020309127	0	49	-1.0	-44.62	411.26	5.88	-38.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCCOC)C1	REAL300020309127	1	49	-1.0	-44.63	411.32	5.91	-38.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020309128	0	57	-1.0	-40.25	420.52	11.28	-28.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020309128	1	57	-1.0	-40.25	420.58	11.30	-28.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020309129	0	54	-1.0	-42.97	401.98	10.39	-32.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)CCCCCC2	REAL300020309129	1	54	-1.0	-42.98	402.03	10.41	-32.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020309130	0	49	-1.0	-43.66	407.92	10.74	-32.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300020309130	1	49	-1.0	-43.65	407.98	10.77	-32.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020309131	0	48	-1.0	-42.60	414.83	10.79	-31.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020309131	1	48	-1.0	-42.58	414.88	10.81	-31.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020309132	0	54	-1.0	-40.14	434.07	11.33	-28.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020309132	1	54	-1.0	-40.15	434.13	11.35	-28.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020309133	0	51	-1.0	-42.61	412.01	10.73	-31.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)CC1	REAL300020309133	1	51	-1.0	-42.57	412.06	10.76	-31.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020309134	0	50	-1.0	-45.21	413.96	9.13	-36.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OCC1=CC=CC=C12	REAL300020309134	1	50	-1.0	-45.22	414.01	9.16	-36.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020309135	0	52	-1.0	-50.84	415.27	7.79	-43.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020309135	1	52	-1.0	-50.80	415.33	7.80	-43.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020309136	0	49	-1.0	-53.80	392.40	7.15	-46.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCN(C)C2=O)CC1	REAL300020309136	1	49	-1.0	-53.80	392.46	7.17	-46.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020309137	0	50	-1.0	-42.02	401.84	7.44	-34.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020309137	1	50	-1.0	-42.02	401.90	7.46	-34.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC(C)(C)C	REAL300020309138	0	47	-1.0	-42.52	387.66	6.55	-35.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC(C)(C)C	REAL300020309138	1	47	-1.0	-42.52	387.73	6.58	-35.94
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC(C)(C)C	REAL300020309139	0	54	-1.0	-41.58	437.53	9.34	-32.24
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC(C)(C)C	REAL300020309139	1	54	-1.0	-41.54	437.58	9.33	-32.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020309140	0	49	-1.0	-40.80	426.00	8.52	-32.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020309140	1	49	-1.0	-40.83	426.06	8.53	-32.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020309141	0	46	-1.0	-43.51	400.44	7.78	-35.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C2=CSC=C2)C1	REAL300020309141	1	46	-1.0	-43.54	400.49	7.80	-35.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020309142	0	55	-1.0	-39.69	416.39	9.55	-30.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020309142	1	55	-1.0	-39.68	416.45	9.57	-30.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020309143	0	52	-1.0	-42.14	380.76	8.09	-34.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(C1)CCCCCC2	REAL300020309143	1	52	-1.0	-42.13	380.81	8.12	-34.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)(C)C)C1	REAL300020309144	0	57	-1.0	-50.46	460.04	7.73	-42.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)(C)C)C1	REAL300020309144	1	57	-1.0	-50.48	460.10	7.75	-42.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCC)CC1	REAL300020309145	0	54	-1.0	-44.05	444.12	7.20	-36.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCC)CC1	REAL300020309145	1	54	-1.0	-44.07	444.17	7.22	-36.85
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCC)CC1	REAL300020309146	0	51	-1.0	-45.06	422.60	6.42	-38.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCC)CC1	REAL300020309146	1	51	-1.0	-45.10	422.66	6.44	-38.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020309147	0	48	-1.0	-49.65	400.31	5.77	-43.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020309147	1	48	-1.0	-49.69	400.37	5.78	-43.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020309148	0	45	-1.0	-50.64	379.66	4.79	-45.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC)C1	REAL300020309148	1	45	-1.0	-50.68	379.71	4.82	-45.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020309149	0	49	-1.0	-47.14	411.78	4.21	-42.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020309149	1	49	-1.0	-47.17	411.84	4.23	-42.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020309150	0	46	-1.0	-49.92	394.70	3.35	-46.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(C)=O)C1	REAL300020309150	1	46	-1.0	-49.90	394.76	3.37	-46.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020309151	0	49	-1.0	-47.53	396.09	5.17	-42.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020309151	1	49	-1.0	-47.53	396.15	5.19	-42.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020309152	0	46	-1.0	-48.80	378.31	4.51	-44.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2)CC1	REAL300020309152	1	46	-1.0	-48.84	378.36	4.54	-44.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020309153	0	47	-1.0	-46.52	392.71	5.22	-41.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020309153	1	47	-1.0	-46.54	392.77	5.24	-41.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020309154	0	44	-1.0	-49.17	371.33	4.40	-44.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC)CC1	REAL300020309154	1	44	-1.0	-49.18	371.39	4.43	-44.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020309155	0	51	-1.0	-47.63	419.75	6.31	-41.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020309155	1	51	-1.0	-47.71	419.80	6.32	-41.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020309156	0	48	-1.0	-51.42	398.24	5.52	-45.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)NC)CC1	REAL300020309156	1	48	-1.0	-51.42	398.29	5.55	-45.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020309157	0	54	-1.0	-45.79	428.09	6.57	-39.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020309157	1	54	-1.0	-45.82	428.15	6.59	-39.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020309158	0	51	-1.0	-48.87	406.16	5.97	-42.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCNC2=O)CC1	REAL300020309158	1	51	-1.0	-48.88	406.22	5.98	-42.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020309159	0	53	-1.0	-48.03	426.65	6.44	-41.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NC(C)(C)C)CC1	REAL300020309159	1	53	-1.0	-48.04	426.70	6.46	-41.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(=O)NC	REAL300020309160	0	47	-1.0	-45.46	393.43	5.33	-40.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(=O)NC	REAL300020309160	1	47	-1.0	-45.46	393.49	5.34	-40.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(=O)NC	REAL300020309161	0	44	-1.0	-46.71	375.15	4.51	-42.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(=O)NC	REAL300020309161	1	44	-1.0	-46.72	375.21	4.52	-42.20
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC(=O)NC	REAL300020309162	0	51	-1.0	-46.19	429.09	7.22	-38.97
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC(=O)NC	REAL300020309162	1	51	-1.0	-46.17	429.13	7.21	-38.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020309163	0	50	-1.0	-43.58	416.52	5.04	-38.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020309163	1	50	-1.0	-43.56	416.58	5.06	-38.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020309164	0	47	-1.0	-44.81	398.74	4.40	-40.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)N(C)C2=O	REAL300020309164	1	47	-1.0	-44.81	398.80	4.42	-40.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020309165	0	54	-1.0	-47.98	441.64	7.43	-40.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020309165	1	54	-1.0	-48.00	441.70	7.45	-40.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020309166	0	51	-1.0	-48.39	427.44	6.56	-41.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)C1CCC1	REAL300020309166	1	51	-1.0	-48.40	427.50	6.58	-41.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020309167	0	51	-1.0	-43.76	424.79	5.49	-38.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020309167	1	51	-1.0	-43.81	424.84	5.50	-38.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020309168	0	48	-1.0	-46.80	399.48	4.62	-42.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC2CC2)C1	REAL300020309168	1	48	-1.0	-46.78	399.53	4.65	-42.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020309169	0	48	-1.0	-48.72	393.57	5.42	-43.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020309169	1	48	-1.0	-48.80	393.63	5.43	-43.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020309170	0	45	-1.0	-49.06	372.06	4.63	-44.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)NC)C1	REAL300020309170	1	45	-1.0	-49.07	372.12	4.66	-44.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020309171	0	46	-1.0	-47.32	390.03	4.24	-43.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020309171	1	46	-1.0	-47.32	390.09	4.26	-43.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020309172	0	43	-1.0	-49.13	372.26	3.59	-45.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)NC)C1	REAL300020309172	1	43	-1.0	-49.16	372.32	3.61	-45.55
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020309173	0	47	-1.0	-47.31	396.18	5.63	-41.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020309173	1	47	-1.0	-47.32	396.24	5.64	-41.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020309174	0	44	-1.0	-49.78	376.20	4.59	-45.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020309174	1	44	-1.0	-49.84	376.12	4.56	-45.28
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020309175	0	51	-1.0	-49.66	420.92	7.78	-41.88
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C(=O)NC	REAL300020309175	1	51	-1.0	-49.60	420.94	7.77	-41.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020309176	0	47	-1.0	-48.59	388.52	4.83	-43.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020309176	1	47	-1.0	-48.57	388.58	4.85	-43.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020309177	0	44	-1.0	-49.99	370.80	3.97	-46.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC(=O)N2)CC1	REAL300020309177	1	44	-1.0	-49.96	370.86	3.99	-45.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020309178	0	45	-1.0	-46.65	375.49	4.20	-42.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020309178	1	45	-1.0	-46.67	375.55	4.22	-42.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020309179	0	42	-1.0	-46.42	357.79	3.57	-42.85
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)NCC2C1	REAL300020309179	1	42	-1.0	-46.40	357.74	3.54	-42.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020309180	0	47	-1.0	-52.10	390.58	4.17	-47.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020309180	1	47	-1.0	-52.16	390.63	4.18	-47.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020309181	0	44	-1.0	-55.39	373.47	3.72	-51.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)C(=O)NCC2C1	REAL300020309181	1	44	-1.0	-55.43	373.53	3.74	-51.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020309182	0	50	-1.0	-43.90	412.96	6.06	-37.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020309182	1	50	-1.0	-43.96	413.02	6.08	-37.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020309183	0	47	-1.0	-45.54	398.76	5.18	-40.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNC(=O)C(C)C	REAL300020309183	1	47	-1.0	-45.53	398.82	5.20	-40.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020309184	0	45	-1.0	-45.70	394.78	5.45	-40.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300020309184	1	45	-1.0	-45.70	394.83	5.47	-40.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020309185	0	47	-1.0	-45.44	389.43	4.79	-40.65
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020309185	1	47	-1.0	-45.46	389.49	4.81	-40.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020309186	0	44	-1.0	-46.28	371.74	3.94	-42.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2NC(=O)OC[C@H]2C1	REAL300020309186	1	44	-1.0	-46.29	371.80	3.96	-42.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020309187	0	44	-1.0	-40.12	376.45	8.45	-31.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020309187	1	44	-1.0	-40.07	376.50	8.46	-31.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020309188	0	41	-1.0	-42.63	354.65	7.84	-34.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)CC1	REAL300020309188	1	41	-1.0	-42.63	354.71	7.86	-34.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020309189	0	38	-1.0	-42.31	330.44	6.97	-35.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020309189	1	38	-1.0	-42.36	330.50	6.98	-35.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1	REAL300020309190	0	35	-1.0	-45.10	303.59	6.32	-38.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1	REAL300020309190	1	35	-1.0	-45.09	303.53	6.29	-38.80
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020309191	0	42	-1.0	-43.93	358.93	8.93	-35.00
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1	REAL300020309191	1	42	-1.0	-43.87	358.96	8.93	-34.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020309192	0	53	0.0	-68.82	415.19	7.63	-61.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020309192	1	53	0.0	-68.83	415.25	7.64	-61.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020309193	0	50	0.0	-68.74	393.26	7.02	-61.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH2+]C(C)C)CC1	REAL300020309193	1	50	0.0	-68.68	393.32	7.03	-61.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020309194	0	48	-1.0	-45.59	395.42	6.95	-38.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020309194	1	48	-1.0	-45.60	395.47	6.96	-38.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020309195	0	45	-1.0	-48.24	377.61	6.29	-41.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CC)CC1	REAL300020309195	1	45	-1.0	-48.24	377.67	6.31	-41.93
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020309196	0	50	-1.0	-40.84	408.09	4.60	-36.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020309196	1	50	-1.0	-40.87	408.14	4.61	-36.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOCC1	REAL300020309197	0	47	-1.0	-42.75	386.48	3.82	-38.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOCC1	REAL300020309197	1	47	-1.0	-42.80	386.53	3.85	-38.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020309198	0	49	-1.0	-43.00	399.33	8.30	-34.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020309198	1	49	-1.0	-43.05	399.38	8.32	-34.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020309199	0	46	-1.0	-44.77	396.98	8.36	-36.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2F)C1	REAL300020309199	1	46	-1.0	-44.74	397.04	8.38	-36.36
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020309200	0	49	-1.0	-43.32	420.75	8.90	-34.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020309200	1	49	-1.0	-43.35	420.80	8.91	-34.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020309201	0	46	-1.0	-45.14	395.52	8.23	-36.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(F)=C2)C1	REAL300020309201	1	46	-1.0	-45.13	395.58	8.25	-36.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020309202	0	47	-1.0	-39.57	377.64	8.33	-31.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020309202	1	47	-1.0	-39.59	377.69	8.35	-31.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC1	REAL300020309203	0	44	-1.0	-42.13	356.20	7.57	-34.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC1	REAL300020309203	1	44	-1.0	-42.16	356.14	7.55	-34.61
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020309204	0	51	-1.0	-41.43	396.56	10.35	-31.08
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)CC1	REAL300020309204	1	51	-1.0	-41.46	396.58	10.34	-31.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(=O)OCC)CC1	REAL300020309205	0	52	-1.0	-47.72	422.76	7.77	-39.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(=O)OCC)CC1	REAL300020309205	1	52	-1.0	-47.73	422.82	7.78	-39.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020309206	0	50	-1.0	-42.81	417.82	10.62	-32.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020309206	1	50	-1.0	-42.78	417.88	10.64	-32.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020309207	0	47	-1.0	-42.15	394.74	10.03	-32.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=CC=CC=C1	REAL300020309207	1	47	-1.0	-42.17	394.70	10.01	-32.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020309208	0	53	-1.0	-42.75	431.42	9.32	-33.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)CC1	REAL300020309208	1	53	-1.0	-42.79	431.47	9.34	-33.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020309209	0	55	0.0	-70.24	437.42	8.08	-62.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020309210	0	41	-1.0	-47.45	357.56	3.71	-43.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020309210	1	41	-1.0	-47.47	357.62	3.72	-43.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020309211	0	38	-1.0	-48.01	340.80	2.68	-45.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020309211	1	38	-1.0	-48.05	340.86	2.71	-45.34
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020309212	0	45	-1.0	-49.42	384.78	5.69	-43.73
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS(=O)(=O)CC1	REAL300020309212	1	45	-1.0	-49.37	384.84	5.68	-43.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020309213	0	44	-1.0	-39.72	387.58	8.89	-30.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020309213	1	44	-1.0	-39.75	387.64	8.91	-30.84
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020309214	0	41	-1.0	-42.36	369.70	8.26	-34.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)S1	REAL300020309214	1	41	-1.0	-42.31	369.64	8.23	-34.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020309215	0	43	-1.0	-40.75	366.42	6.57	-34.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020309215	1	43	-1.0	-40.73	366.48	6.59	-34.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020309216	0	40	-1.0	-43.17	349.27	5.94	-37.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)N=CS1	REAL300020309216	1	40	-1.0	-43.14	349.22	5.92	-37.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020309217	0	42	-1.0	-39.86	344.64	7.19	-32.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020309217	1	42	-1.0	-39.88	344.69	7.21	-32.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)C1	REAL300020309218	0	39	-1.0	-41.41	328.07	6.57	-34.84
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)C1	REAL300020309218	1	39	-1.0	-41.41	328.01	6.55	-34.86
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)C1	REAL300020309219	0	46	-1.0	-40.55	392.46	9.80	-30.75
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)C1	REAL300020309219	1	46	-1.0	-40.50	392.51	9.79	-30.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NC(C)=C(C)O2)CC1	REAL300020309220	0	52	-1.0	-46.00	432.55	4.07	-41.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NC(C)=C(C)O2)CC1	REAL300020309220	1	52	-1.0	-46.02	432.60	4.10	-41.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020309221	0	44	-1.0	-40.98	392.51	9.63	-31.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020309221	1	44	-1.0	-41.03	392.56	9.64	-31.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020309222	0	41	-1.0	-46.14	366.62	8.93	-37.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1Cl	REAL300020309222	1	41	-1.0	-46.14	366.56	8.91	-37.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020309223	0	52	-1.0	-42.91	437.64	8.24	-34.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020309223	1	52	-1.0	-42.90	437.70	8.25	-34.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020309224	0	49	-1.0	-44.77	415.76	7.50	-37.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(OC)=C1	REAL300020309224	1	49	-1.0	-44.83	415.82	7.53	-37.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020309225	0	52	-1.0	-42.15	431.40	7.91	-34.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020309225	1	52	-1.0	-42.12	431.45	7.92	-34.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020309226	0	49	-1.0	-44.25	416.44	6.98	-37.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1OC	REAL300020309226	1	49	-1.0	-44.24	416.50	7.01	-37.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020309227	0	44	-1.0	-40.42	383.10	8.12	-32.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020309227	1	44	-1.0	-40.39	383.15	8.13	-32.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020309228	0	41	-1.0	-42.37	361.55	7.39	-34.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020309228	1	41	-1.0	-42.38	361.50	7.37	-35.01
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020309229	0	48	-1.0	-41.60	411.24	10.14	-31.46
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=C(C)O1	REAL300020309229	1	48	-1.0	-41.55	411.31	10.13	-31.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020309230	0	44	-1.0	-41.82	392.90	9.30	-32.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020309230	1	44	-1.0	-41.87	392.96	9.31	-32.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020309231	0	41	-1.0	-46.09	368.50	8.78	-37.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(F)C=CC=C1Cl	REAL300020309231	1	41	-1.0	-46.12	368.56	8.81	-37.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020309232	0	44	-1.0	-41.22	395.75	9.31	-31.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020309232	1	44	-1.0	-41.17	395.81	9.33	-31.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020309233	0	53	-1.0	-48.74	432.13	7.47	-41.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020309233	1	53	-1.0	-48.74	432.19	7.48	-41.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020309234	0	50	-1.0	-51.31	410.06	6.63	-44.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2CCCO2)CC1	REAL300020309234	1	50	-1.0	-51.37	410.12	6.65	-44.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020309235	0	49	-1.0	-47.07	409.63	8.36	-38.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020309235	1	49	-1.0	-47.02	409.69	8.38	-38.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020309236	0	44	-1.0	-39.79	388.99	9.71	-30.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020309236	1	44	-1.0	-39.80	389.05	9.72	-30.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020309237	0	41	-1.0	-41.09	373.81	8.84	-32.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1	REAL300020309237	1	41	-1.0	-41.09	373.75	8.82	-32.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020309238	0	41	-1.0	-41.57	388.94	9.27	-32.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(Cl)=C1	REAL300020309238	1	41	-1.0	-41.58	388.99	9.30	-32.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020309239	0	45	-1.0	-41.62	401.53	8.74	-32.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(Cl)C=C1	REAL300020309239	1	45	-1.0	-41.64	401.58	8.76	-32.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020309240	0	45	-1.0	-49.38	375.47	3.94	-45.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020309240	1	45	-1.0	-49.35	375.53	3.96	-45.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020309241	0	42	-1.0	-50.45	357.74	3.31	-47.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020309241	1	42	-1.0	-50.48	357.68	3.28	-47.20
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020309242	0	49	-1.0	-51.42	396.41	6.08	-45.34
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(N)=O)C1	REAL300020309242	1	49	-1.0	-51.39	396.43	6.07	-45.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020309243	0	41	-1.0	-40.27	361.18	7.30	-32.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020309243	1	41	-1.0	-40.30	361.24	7.31	-32.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CO1	REAL300020309244	0	38	-1.0	-42.16	326.00	6.80	-35.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CO1	REAL300020309244	1	38	-1.0	-42.13	325.94	6.79	-35.34
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CO1	REAL300020309245	0	45	-1.0	-41.64	389.35	9.31	-32.33
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CO1	REAL300020309245	1	45	-1.0	-41.60	389.41	9.30	-32.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020309246	0	50	-1.0	-42.79	423.35	8.20	-34.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020309246	1	50	-1.0	-42.80	423.41	8.21	-34.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020309247	0	47	-1.0	-44.09	401.52	7.46	-36.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCCOC2=C1	REAL300020309247	1	47	-1.0	-44.13	401.58	7.49	-36.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020309248	0	53	0.0	-64.79	419.24	9.37	-55.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020309248	1	53	0.0	-64.81	419.30	9.38	-55.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020309249	0	50	0.0	-63.05	393.10	8.66	-54.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC(C)C)CC1	REAL300020309249	1	50	0.0	-63.04	393.15	8.68	-54.36
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020309250	0	51	-1.0	-39.68	396.33	9.67	-30.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020309250	1	51	-1.0	-39.71	396.39	9.69	-30.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC2C1	REAL300020309251	0	48	-1.0	-43.03	369.05	8.51	-34.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC2C1	REAL300020309251	1	48	-1.0	-43.06	369.10	8.54	-34.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020309252	0	54	-1.0	-42.18	433.14	5.85	-36.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020309252	1	54	-1.0	-42.20	433.20	5.86	-36.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020309252	1	55	0.0	-65.75	429.95	8.36	-57.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020309253	0	51	-1.0	-43.01	411.11	5.55	-37.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2CCCO2)CC1	REAL300020309253	1	51	-1.0	-43.05	411.17	5.58	-37.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCO2)CC1	REAL300020309253	1	52	0.0	-64.76	408.11	7.75	-57.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020309254	0	53	-1.0	-43.13	436.53	8.48	-34.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC(C)=C2)CC1	REAL300020309254	1	54	0.0	-67.07	434.55	10.83	-56.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC(C)=C2)CC1	REAL300020309254	1	53	-1.0	-43.17	436.59	8.51	-34.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020309255	0	48	-1.0	-45.26	406.78	5.97	-39.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020309255	1	48	-1.0	-45.29	406.84	5.99	-39.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020309256	0	45	-1.0	-46.14	391.59	5.11	-41.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(N)=O)C=C1	REAL300020309256	1	45	-1.0	-46.12	391.54	5.09	-41.03
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020309257	0	47	-1.0	-61.83	406.47	5.78	-56.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)CN2C=NN=N2)CC1	REAL300020309257	1	47	-1.0	-61.81	406.41	5.76	-56.05
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020309258	0	56	0.0	-64.80	428.03	9.53	-55.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020309258	1	56	0.0	-64.81	428.09	9.55	-55.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020309259	0	53	0.0	-64.35	406.53	8.73	-55.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+](CC)CC)CC1	REAL300020309259	1	53	0.0	-64.29	406.59	8.76	-55.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020309260	0	52	-1.0	-42.98	425.42	9.81	-33.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(C)C=C2)CC1	REAL300020309260	1	52	-1.0	-43.00	425.47	9.83	-33.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)CC1	REAL300020309261	0	47	-1.0	-39.98	378.23	8.78	-31.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)CC1	REAL300020309261	1	47	-1.0	-39.98	378.29	8.80	-31.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)CC1	REAL300020309262	0	44	-1.0	-42.60	357.94	8.06	-34.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)CC1	REAL300020309262	1	44	-1.0	-42.58	357.88	8.03	-34.55
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)CC1	REAL300020309263	0	51	-1.0	-41.61	398.78	10.75	-30.86
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)CC1	REAL300020309263	1	51	-1.0	-41.61	398.81	10.75	-30.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020309264	0	44	-1.0	-45.93	382.06	7.14	-38.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020309264	1	44	-1.0	-45.96	382.00	7.13	-38.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C=CC=N1	REAL300020309265	0	41	-1.0	-48.73	356.49	6.40	-42.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C=CC=N1	REAL300020309265	1	41	-1.0	-48.74	356.44	6.39	-42.35
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1C=CC=N1	REAL300020309266	0	48	-1.0	-49.06	400.19	9.12	-39.94
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1C=CC=N1	REAL300020309266	1	48	-1.0	-49.07	400.15	9.14	-39.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020309267	0	58	0.0	-70.11	451.83	8.88	-61.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020309267	1	58	0.0	-70.12	451.78	8.86	-61.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020309268	0	55	0.0	-68.05	425.85	8.16	-59.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOCC2)CC1	REAL300020309268	1	55	0.0	-68.00	425.90	8.18	-59.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020309269	0	48	-1.0	-39.99	393.47	7.01	-32.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020309269	1	48	-1.0	-39.97	393.53	7.02	-32.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020309270	0	45	-1.0	-42.05	375.69	6.35	-35.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020309270	1	45	-1.0	-42.08	375.74	6.37	-35.71
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020309271	0	52	-1.0	-41.00	425.55	9.11	-31.89
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020309271	1	52	-1.0	-40.98	425.61	9.10	-31.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020309272	0	54	-1.0	-40.21	410.10	10.49	-29.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020309272	1	54	-1.0	-40.15	410.16	10.50	-29.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020309273	0	51	-1.0	-41.76	392.95	9.63	-32.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCCC2)C1	REAL300020309273	1	51	-1.0	-41.74	393.00	9.66	-32.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020309274	0	51	0.0	-63.68	399.82	9.21	-54.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020309274	1	50	-1.0	-39.61	402.38	6.93	-32.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020309274	1	50	-1.0	-39.59	402.43	6.95	-32.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020309275	0	48	0.0	-61.51	382.85	8.52	-52.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC2)CC1	REAL300020309275	1	48	0.0	-61.54	382.91	8.53	-53.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020309275	1	47	-1.0	-41.88	384.59	6.28	-35.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCC2)CC1	REAL300020309275	1	47	-1.0	-41.88	384.64	6.30	-35.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020309276	0	50	-1.0	-43.93	409.21	6.09	-37.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020309276	1	50	-1.0	-43.95	409.16	6.07	-37.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020309277	0	47	-1.0	-46.59	392.77	5.48	-41.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)CC1	REAL300020309277	1	47	-1.0	-46.61	392.71	5.45	-41.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020309278	0	60	0.0	-64.65	451.65	10.53	-54.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020309278	1	60	0.0	-64.63	451.71	10.54	-54.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020309279	0	57	0.0	-62.69	433.84	9.87	-52.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCC(C)CC2)CC1	REAL300020309279	1	57	0.0	-62.70	433.89	9.89	-52.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020309280	0	47	-1.0	-42.90	399.25	7.82	-35.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300020309280	1	47	-1.0	-42.91	399.31	7.84	-35.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COCC)C1	REAL300020309281	0	51	-1.0	-39.83	415.32	7.97	-31.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COCC)C1	REAL300020309281	1	51	-1.0	-39.83	415.38	7.99	-31.84
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COCC)C1	REAL300020309282	0	48	-1.0	-41.93	397.54	7.32	-34.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COCC)C1	REAL300020309282	1	48	-1.0	-41.98	397.59	7.34	-34.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020309283	0	45	-1.0	-49.05	390.86	2.38	-46.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020309283	1	45	-1.0	-49.05	390.92	2.40	-46.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020309284	0	42	-1.0	-50.77	376.65	1.51	-49.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCNS(C)(=O)=O	REAL300020309284	1	42	-1.0	-50.80	376.70	1.53	-49.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020309285	0	54	-1.0	-41.25	431.59	11.64	-29.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020309285	1	54	-1.0	-41.25	431.64	11.65	-29.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020309286	0	51	-1.0	-43.73	406.21	10.93	-32.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C2=CC=CC=C2)C1	REAL300020309286	1	51	-1.0	-43.70	406.15	10.91	-32.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020309287	0	47	-1.0	-42.49	397.30	7.83	-34.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020309287	1	47	-1.0	-42.51	397.25	7.82	-34.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020309288	0	44	-1.0	-44.42	375.79	7.06	-37.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(CC)N=C1	REAL300020309288	1	44	-1.0	-44.43	375.74	7.03	-37.40
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020309289	0	47	-1.0	-39.78	376.12	8.92	-30.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020309289	1	47	-1.0	-39.76	376.17	8.94	-30.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C)C1	REAL300020309290	0	44	-1.0	-43.71	353.78	8.31	-35.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C)C1	REAL300020309290	1	44	-1.0	-43.73	353.72	8.29	-35.44
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020309291	0	51	-1.0	-42.00	392.31	10.26	-31.74
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C)C1	REAL300020309291	1	51	-1.0	-42.04	392.34	10.25	-31.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020309292	0	51	-1.0	-42.15	420.54	10.97	-31.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020309292	1	51	-1.0	-42.17	420.59	10.98	-31.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020309293	0	48	-1.0	-44.62	402.53	10.36	-34.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300020309293	1	48	-1.0	-44.59	402.60	10.39	-34.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020309294	0	46	-1.0	-47.10	380.61	6.91	-40.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020309294	1	46	-1.0	-47.10	380.66	6.93	-40.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020309295	0	43	-1.0	-50.63	359.20	6.15	-44.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(=O)C1	REAL300020309295	1	43	-1.0	-50.57	359.13	6.12	-44.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020309296	0	48	-1.0	-45.36	415.59	7.16	-38.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020309296	1	48	-1.0	-45.34	415.53	7.15	-38.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020309297	0	45	-1.0	-44.92	393.97	6.38	-38.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CN=C2)C(=O)C1	REAL300020309297	1	45	-1.0	-44.90	393.92	6.36	-38.54
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020309298	0	47	-1.0	-44.82	389.22	7.95	-36.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020309298	1	47	-1.0	-44.85	389.28	7.97	-36.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020309299	0	44	-1.0	-49.46	372.49	7.31	-42.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC)C1	REAL300020309299	1	44	-1.0	-49.49	372.54	7.33	-42.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020309300	0	52	-1.0	-41.36	431.69	9.68	-31.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020309300	1	52	-1.0	-41.36	431.75	9.69	-31.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020309301	0	49	-1.0	-43.42	410.86	8.92	-34.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC2=CC=CC=C2)C1	REAL300020309301	1	49	-1.0	-43.43	410.92	8.94	-34.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020309302	0	52	-1.0	-43.80	436.16	9.61	-34.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300020309302	1	52	-1.0	-43.79	436.21	9.64	-34.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020309303	0	48	-1.0	-42.60	389.31	7.08	-35.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020309303	1	48	-1.0	-42.63	389.37	7.09	-35.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020309304	0	45	-1.0	-43.59	367.87	6.31	-37.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)C(=O)C1	REAL300020309304	1	45	-1.0	-43.58	367.81	6.28	-37.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020309305	0	51	-1.0	-39.34	408.64	7.65	-31.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020309305	1	51	-1.0	-39.40	408.69	7.66	-31.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020309306	0	48	-1.0	-41.31	386.57	7.15	-34.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)OC(C)(C)C1	REAL300020309306	1	48	-1.0	-41.32	386.61	7.18	-34.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020309307	0	52	-1.0	-40.53	415.77	8.33	-32.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020309307	1	52	-1.0	-40.58	415.83	8.34	-32.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020309308	0	49	-1.0	-42.79	395.02	7.64	-35.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)CC1	REAL300020309308	1	49	-1.0	-42.82	395.08	7.66	-35.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020309309	0	48	-1.0	-44.27	405.40	7.17	-37.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020309309	1	48	-1.0	-44.19	405.46	7.18	-37.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020309310	0	45	-1.0	-44.51	388.32	6.30	-38.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(=O)OC)C1	REAL300020309310	1	45	-1.0	-44.54	388.37	6.33	-38.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020309311	0	51	-1.0	-40.02	423.73	10.77	-29.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020309311	1	51	-1.0	-39.94	423.79	10.78	-29.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020309312	0	48	-1.0	-42.17	405.96	10.14	-32.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)=CC1=CC=CC=C1	REAL300020309312	1	48	-1.0	-42.16	405.92	10.12	-32.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020309313	0	45	-1.0	-46.97	383.56	8.43	-38.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020309313	1	45	-1.0	-46.98	383.61	8.44	-38.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)CC1	REAL300020309314	0	42	-1.0	-49.86	362.02	7.65	-42.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)CC1	REAL300020309314	1	42	-1.0	-49.89	362.08	7.67	-42.22
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020309315	0	49	-1.0	-48.24	410.34	10.35	-37.89
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)CC1	REAL300020309315	1	49	-1.0	-48.15	410.35	10.35	-37.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CC)C1	REAL300020309316	0	50	-1.0	-39.68	394.21	9.30	-30.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CC)C1	REAL300020309316	1	50	-1.0	-39.72	394.27	9.31	-30.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CC)C1	REAL300020309317	0	47	-1.0	-42.27	367.97	8.71	-33.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CC)C1	REAL300020309317	1	47	-1.0	-42.27	367.92	8.69	-33.58
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(CC)C1	REAL300020309318	0	54	-1.0	-41.36	417.73	11.45	-29.91
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(CC)C1	REAL300020309318	1	54	-1.0	-41.38	417.77	11.44	-29.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020309319	0	50	-1.0	-40.70	418.83	10.60	-30.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020309319	1	50	-1.0	-40.70	418.88	10.62	-30.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020309320	0	47	-1.0	-42.82	400.80	9.94	-32.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=C1	REAL300020309320	1	47	-1.0	-42.80	400.85	9.96	-32.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020309321	0	47	-1.0	-41.89	398.01	8.07	-33.82
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020309321	1	47	-1.0	-41.87	398.07	8.09	-33.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020309322	0	44	-1.0	-43.33	376.50	7.28	-36.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020309322	1	44	-1.0	-43.37	376.56	7.30	-36.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020309323	0	51	-1.0	-39.64	403.58	10.27	-29.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020309323	1	51	-1.0	-39.62	403.63	10.29	-29.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020309324	0	48	-1.0	-43.96	376.44	9.39	-34.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)C1	REAL300020309324	1	48	-1.0	-43.93	376.50	9.41	-34.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020309325	0	42	-1.0	-42.99	353.61	5.53	-37.46
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020309325	1	42	-1.0	-43.03	353.67	5.55	-37.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(=O)C1	REAL300020309326	0	39	-1.0	-44.18	334.00	4.87	-39.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C(=O)C1	REAL300020309326	1	39	-1.0	-44.13	333.94	4.85	-39.28
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020309327	0	46	-1.0	-44.83	377.17	7.42	-37.41
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(=O)C1	REAL300020309327	1	46	-1.0	-44.80	377.19	7.42	-37.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC)C1	REAL300020309328	0	48	-1.0	-41.29	394.03	7.27	-34.02
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC)C1	REAL300020309328	1	48	-1.0	-41.28	394.09	7.28	-34.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC)C1	REAL300020309329	0	45	-1.0	-44.34	376.30	6.60	-37.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC)C1	REAL300020309329	1	45	-1.0	-44.35	376.36	6.63	-37.72
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OCC)C1	REAL300020309330	0	52	-1.0	-43.37	415.01	9.40	-33.97
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OCC)C1	REAL300020309330	1	52	-1.0	-43.34	415.04	9.40	-33.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020309331	0	45	-1.0	-43.17	397.16	8.35	-34.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=C1OC	REAL300020309331	1	45	-1.0	-43.19	397.22	8.37	-34.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020309332	0	51	0.0	-65.73	411.60	9.47	-56.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020309332	1	51	0.0	-65.73	411.65	9.49	-56.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020309333	0	48	0.0	-63.95	390.07	8.69	-55.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CC2)CC1	REAL300020309333	1	48	0.0	-63.99	390.13	8.71	-55.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020309334	0	48	-1.0	-43.70	413.60	7.73	-35.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020309334	1	48	-1.0	-43.65	413.66	7.75	-35.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020309335	0	45	-1.0	-46.50	395.87	7.07	-39.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC(F)(F)F)C1	REAL300020309335	1	45	-1.0	-46.52	395.93	7.09	-39.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020309336	0	58	-1.0	-42.31	425.43	10.50	-31.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020309336	1	58	-1.0	-42.32	425.49	10.52	-31.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020309337	0	55	-1.0	-43.13	403.43	9.81	-33.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CC3CC(CC(C3)C1)C2	REAL300020309337	1	55	-1.0	-43.08	403.48	9.82	-33.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020309338	0	46	-1.0	-40.81	385.34	7.76	-33.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020309338	1	46	-1.0	-40.85	385.40	7.77	-33.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020309339	0	43	-1.0	-41.36	368.57	6.85	-34.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)ON=C1C	REAL300020309339	1	43	-1.0	-41.33	368.51	6.82	-34.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020309340	0	46	-1.0	-47.78	399.44	9.93	-37.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020309340	1	46	-1.0	-47.79	399.50	9.95	-37.84
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020309341	0	43	-1.0	-57.19	373.12	9.24	-47.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1[N+](=O)[O-]	REAL300020309341	1	43	-1.0	-57.17	373.06	9.22	-47.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020309342	0	50	-1.0	-42.79	427.05	9.86	-32.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020309342	1	50	-1.0	-42.77	427.11	9.87	-32.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020309343	0	47	-1.0	-43.49	411.80	8.97	-34.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)C=C1	REAL300020309343	1	47	-1.0	-43.54	411.86	9.00	-34.54
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020309344	0	52	-1.0	-41.91	425.09	9.83	-32.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020309344	1	52	-1.0	-41.90	425.15	9.85	-32.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020309345	0	49	-1.0	-43.80	398.05	9.15	-34.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC2=CC=CC=C2)C1	REAL300020309345	1	49	-1.0	-43.83	398.11	9.17	-34.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020309346	0	50	-1.0	-48.81	419.84	5.71	-43.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020309346	1	50	-1.0	-48.79	419.90	5.72	-43.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020309347	0	47	-1.0	-49.48	402.64	4.85	-44.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(=O)(=O)CC)CC1	REAL300020309347	1	47	-1.0	-49.51	402.70	4.87	-44.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020309348	0	43	-1.0	-42.57	385.80	7.05	-35.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020309348	1	43	-1.0	-42.55	385.86	7.06	-35.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC=CS1	REAL300020309349	0	40	-1.0	-44.43	364.31	6.26	-38.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC=CS1	REAL300020309349	1	40	-1.0	-44.47	364.37	6.29	-38.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020309350	0	47	-1.0	-42.07	405.22	10.39	-31.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020309350	1	47	-1.0	-42.02	405.28	10.40	-31.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020309351	0	44	-1.0	-42.89	396.25	9.67	-33.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(Cl)C=C1	REAL300020309351	1	44	-1.0	-42.89	396.30	9.69	-33.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OCC)CC1	REAL300020309352	0	53	-1.0	-41.64	429.67	9.37	-32.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OCC)CC1	REAL300020309352	1	53	-1.0	-41.66	429.72	9.38	-32.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OCC)CC1	REAL300020309353	0	50	-1.0	-42.32	411.13	8.69	-33.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OCC)CC1	REAL300020309353	1	50	-1.0	-42.35	411.19	8.71	-33.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020309354	0	54	-1.0	-41.28	439.73	10.00	-31.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020309354	1	54	-1.0	-41.34	439.79	10.02	-31.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020309355	0	51	-1.0	-42.92	426.65	9.17	-33.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(C)C)=C1	REAL300020309355	1	51	-1.0	-42.93	426.70	9.18	-33.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020309356	0	45	-1.0	-41.77	388.37	9.59	-32.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020309356	1	45	-1.0	-41.77	388.43	9.61	-32.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020309357	0	42	-1.0	-45.84	362.71	9.06	-36.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CS1	REAL300020309357	1	42	-1.0	-45.79	362.65	9.03	-36.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020309358	0	49	-1.0	-40.64	388.69	7.09	-33.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020309358	1	49	-1.0	-40.62	388.74	7.10	-33.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020309359	0	46	-1.0	-42.81	370.43	6.42	-36.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCOCC2	REAL300020309359	1	46	-1.0	-42.78	370.49	6.44	-36.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020309360	0	56	-1.0	-40.52	443.92	6.13	-34.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020309360	1	56	-1.0	-40.53	443.98	6.14	-34.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020309360	1	57	0.0	-65.54	441.79	8.11	-57.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020309360	1	57	0.0	-64.93	438.23	8.34	-56.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020309361	0	53	-1.0	-42.14	422.44	5.34	-36.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCOC(C)(C)C1	REAL300020309361	1	53	-1.0	-42.19	422.49	5.37	-36.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1CCOC(C)(C)C1	REAL300020309361	1	54	0.0	-61.12	419.96	7.52	-53.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1CCOC(C)(C)C1	REAL300020309361	1	54	0.0	-62.55	416.72	7.56	-54.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020309362	0	54	-1.0	-41.59	417.37	5.38	-36.21
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020309362	1	54	-1.0	-41.56	417.43	5.39	-36.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020309362	1	55	0.0	-64.46	418.95	7.68	-56.78
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(N2CCOCC2)C1	REAL300020309363	1	51	-1.0	-44.14	391.90	5.48	-38.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C([NH+]2CCOCC2)C1	REAL300020309363	1	52	0.0	-65.13	400.76	7.03	-58.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC[NH+](C(C)C)CC2)C1	REAL300020309364	0	59	0.0	-65.27	437.75	7.60	-57.67
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020309365	1	48	-1.0	-38.93	397.60	9.14	-29.79
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(C)C)C1	REAL300020309366	1	45	-1.0	-40.50	376.58	8.17	-32.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020309367	0	51	-1.0	-46.49	421.56	8.96	-37.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020309367	1	51	-1.0	-46.44	421.50	8.94	-37.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020309368	0	48	-1.0	-48.98	400.06	8.18	-40.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CN(C)N=C2)C1	REAL300020309368	1	48	-1.0	-48.99	400.01	8.16	-40.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(CC)C1	REAL300020309369	0	54	-1.0	-43.21	412.04	10.88	-32.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(CC)C1	REAL300020309369	1	54	-1.0	-43.26	412.10	10.90	-32.36
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020309370	0	49	-1.0	-42.36	403.87	6.73	-35.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020309370	1	49	-1.0	-42.39	403.93	6.75	-35.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020309371	0	46	-1.0	-43.40	387.94	6.04	-37.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(F)(F)F)CC1	REAL300020309371	1	46	-1.0	-43.37	388.00	6.07	-37.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020309372	0	49	-1.0	-47.86	414.54	4.61	-43.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020309372	1	49	-1.0	-47.82	414.59	4.62	-43.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020309373	0	46	-1.0	-49.42	393.03	3.82	-45.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(N)=O)CC1	REAL300020309373	1	46	-1.0	-49.48	393.09	3.85	-45.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020309374	0	44	-1.0	-44.04	374.47	7.24	-36.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020309374	1	44	-1.0	-44.04	374.53	7.26	-36.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020309375	0	41	-1.0	-44.82	347.65	6.56	-38.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(=O)OC)C1	REAL300020309375	1	41	-1.0	-44.87	347.69	6.58	-38.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020309376	0	52	-1.0	-40.31	402.17	8.58	-31.73
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020309376	1	52	-1.0	-40.28	402.23	8.60	-31.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020309377	0	49	-1.0	-42.65	385.83	7.96	-34.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCCC2)C1	REAL300020309377	1	49	-1.0	-42.66	385.89	7.98	-34.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020309378	0	49	-1.0	-43.86	413.90	10.71	-33.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300020309378	1	49	-1.0	-43.85	413.96	10.73	-33.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020309379	0	51	-1.0	-46.04	422.48	10.99	-35.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC(F)=C2)CC1	REAL300020309379	1	51	-1.0	-46.00	422.53	11.00	-35.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020309380	0	42	-1.0	-40.62	346.62	5.68	-34.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020309380	1	42	-1.0	-40.62	346.68	5.69	-34.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)C1	REAL300020309381	0	39	-1.0	-42.85	330.30	5.11	-37.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)C1	REAL300020309381	1	39	-1.0	-42.84	330.24	5.09	-37.75
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020309382	0	46	-1.0	-41.94	381.69	7.93	-34.01
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020309382	1	46	-1.0	-41.94	381.71	7.92	-34.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020309383	0	52	-1.0	-45.18	424.69	7.35	-37.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)CC1	REAL300020309383	1	52	-1.0	-45.15	424.75	7.37	-37.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020309384	0	43	-1.0	-40.56	382.31	6.88	-33.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020309384	1	43	-1.0	-40.51	382.36	6.89	-33.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020309385	0	40	-1.0	-42.16	364.30	6.28	-35.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(C)S1	REAL300020309385	1	40	-1.0	-42.14	364.24	6.25	-35.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020309386	0	41	-1.0	-40.43	345.08	7.81	-32.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020309386	1	41	-1.0	-40.43	345.13	7.83	-32.60
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020309387	0	45	-1.0	-41.63	374.72	9.82	-31.81
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020309387	1	45	-1.0	-41.66	374.73	9.81	-31.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020309388	0	51	-1.0	-41.69	431.60	9.44	-32.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020309388	1	51	-1.0	-41.72	431.66	9.45	-32.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020309389	0	48	-1.0	-43.98	409.12	8.69	-35.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(C)=C1	REAL300020309389	1	48	-1.0	-44.01	409.19	8.70	-35.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)CCCC)CC1	REAL300020309390	0	57	-1.0	-45.22	457.24	9.03	-36.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)CCCC)CC1	REAL300020309390	1	57	-1.0	-45.27	457.30	9.05	-36.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020309391	0	44	-1.0	-41.56	386.36	9.14	-32.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020309391	1	44	-1.0	-41.57	386.41	9.15	-32.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020309392	0	41	-1.0	-47.60	357.87	8.48	-39.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1F	REAL300020309392	1	41	-1.0	-47.59	357.82	8.46	-39.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020309393	0	54	-1.0	-42.00	452.09	10.00	-32.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020309393	1	54	-1.0	-41.99	452.15	10.02	-31.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020309394	0	51	-1.0	-43.87	430.31	9.24	-34.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=C(OC)C=C1	REAL300020309394	1	51	-1.0	-43.89	430.37	9.26	-34.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020309395	0	54	-1.0	-41.53	451.13	10.26	-31.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020309395	1	54	-1.0	-41.55	451.19	10.28	-31.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020309396	0	51	-1.0	-43.41	429.57	9.49	-33.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1C	REAL300020309396	1	51	-1.0	-43.39	429.63	9.51	-33.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020309397	0	59	0.0	-66.45	449.47	10.45	-56.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020309397	1	59	0.0	-67.44	447.42	10.47	-56.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020309397	1	59	0.0	-66.45	449.53	10.46	-55.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020309397	1	59	0.0	-67.48	447.47	10.48	-57.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020309398	0	56	0.0	-68.79	427.17	10.04	-58.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020309398	1	56	0.0	-66.14	427.41	9.88	-56.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)C(C)C)CC1	REAL300020309398	1	56	0.0	-68.79	427.22	10.06	-58.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)C(C)C)CC1	REAL300020309398	1	56	0.0	-66.17	427.47	9.90	-56.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020309399	0	46	-1.0	-48.47	402.09	7.16	-41.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CSC=C2)CC1	REAL300020309399	1	46	-1.0	-48.50	402.15	7.19	-41.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(C)C	REAL300020309400	0	46	-1.0	-40.45	372.88	8.28	-32.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(C)C	REAL300020309400	1	46	-1.0	-40.46	372.94	8.30	-32.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(C)C	REAL300020309401	0	43	-1.0	-41.54	358.73	7.43	-34.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(C)C	REAL300020309401	1	43	-1.0	-41.53	358.66	7.41	-34.12
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(C)C	REAL300020309402	0	50	-1.0	-40.79	408.54	10.17	-30.62
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(C)C	REAL300020309402	1	50	-1.0	-40.77	408.58	10.16	-30.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020309403	0	44	-1.0	-43.96	371.32	7.42	-36.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020309403	1	44	-1.0	-43.96	371.38	7.43	-36.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020309404	0	41	-1.0	-44.32	349.82	6.64	-37.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020309404	1	41	-1.0	-44.29	349.88	6.66	-37.63
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020309405	0	48	-1.0	-45.36	399.81	9.38	-35.98
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(=O)OC)C1	REAL300020309405	1	48	-1.0	-45.34	399.84	9.37	-35.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020309406	0	46	-1.0	-43.83	387.64	6.01	-37.82
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020309406	1	46	-1.0	-43.81	387.70	6.03	-37.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020309407	0	43	-1.0	-45.83	369.86	5.35	-40.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)CC1	REAL300020309407	1	43	-1.0	-45.81	369.92	5.36	-40.45
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020309408	0	46	-1.0	-40.08	365.02	8.35	-31.73
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020309408	1	46	-1.0	-40.06	365.08	8.37	-31.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020309409	0	43	-1.0	-41.60	352.36	7.64	-33.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020309409	1	43	-1.0	-41.61	352.30	7.62	-33.99
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020309410	0	50	-1.0	-42.18	396.42	9.42	-32.76
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020309410	1	50	-1.0	-42.10	396.45	9.43	-32.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020309411	0	59	0.0	-66.69	453.13	10.21	-56.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020309411	1	59	0.0	-66.68	453.18	10.23	-56.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020309412	0	56	0.0	-64.75	430.90	9.64	-55.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC(C)(C)C)CC1	REAL300020309412	1	56	0.0	-64.77	430.95	9.65	-55.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020309413	0	51	-1.0	-43.82	422.25	8.66	-35.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020309413	1	51	-1.0	-43.81	422.31	8.67	-35.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020309414	0	48	-1.0	-46.59	400.74	7.86	-38.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=NN2C)C1	REAL300020309414	1	48	-1.0	-46.58	400.79	7.89	-38.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCCOC)C1	REAL300020309415	0	52	-1.0	-43.31	430.58	6.85	-36.46
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCCOC)C1	REAL300020309415	1	52	-1.0	-43.33	430.64	6.86	-36.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCOC)C1	REAL300020309416	0	49	-1.0	-46.27	406.18	5.98	-40.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCOC)C1	REAL300020309416	1	49	-1.0	-46.34	406.23	6.00	-40.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC1	REAL300020309417	0	41	-1.0	-40.43	345.08	7.81	-32.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC1	REAL300020309417	1	41	-1.0	-40.43	345.13	7.83	-32.60
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC1	REAL300020309418	0	45	-1.0	-41.63	374.72	9.82	-31.81
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC1	REAL300020309418	1	45	-1.0	-41.66	374.73	9.81	-31.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020309419	0	54	-1.0	-41.18	428.52	10.91	-30.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020309419	1	54	-1.0	-41.17	428.58	10.92	-30.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020309420	0	51	-1.0	-44.63	399.09	10.09	-34.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C(C)(C)C1	REAL300020309420	1	51	-1.0	-44.60	399.04	10.07	-34.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020309421	0	46	-1.0	-41.28	400.79	8.38	-32.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020309421	1	46	-1.0	-41.30	400.85	8.39	-32.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020309422	0	43	-1.0	-43.99	379.01	7.78	-36.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C(F)(F)F)CC1	REAL300020309422	1	43	-1.0	-44.00	379.06	7.79	-36.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020309423	0	58	0.0	-63.39	446.73	10.88	-52.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020309423	1	58	0.0	-64.72	434.19	10.37	-54.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020309423	1	58	0.0	-63.40	446.79	10.89	-52.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020309423	1	58	0.0	-64.72	434.24	10.38	-54.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020309424	0	55	0.0	-63.52	420.29	9.78	-53.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020309424	1	55	0.0	-63.04	419.58	9.93	-53.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020309424	1	55	0.0	-63.62	420.34	9.81	-53.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020309424	1	55	0.0	-62.99	419.64	9.96	-53.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020309425	0	44	-1.0	-39.72	372.78	8.46	-31.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020309425	1	44	-1.0	-39.75	372.84	8.47	-31.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CC1	REAL300020309426	0	41	-1.0	-41.64	351.42	7.70	-33.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CC1	REAL300020309426	1	41	-1.0	-41.61	351.35	7.67	-33.94
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020309427	0	48	-1.0	-40.91	400.92	10.44	-30.47
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1CC1	REAL300020309427	1	48	-1.0	-40.89	400.98	10.45	-30.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020309428	0	52	-1.0	-42.14	428.06	7.02	-35.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020309428	1	52	-1.0	-42.15	428.12	7.04	-35.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020309429	0	49	-1.0	-43.91	406.81	6.21	-37.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCCOCC)C1	REAL300020309429	1	49	-1.0	-43.87	406.87	6.24	-37.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC	REAL300020309430	0	44	-1.0	-40.92	367.49	6.07	-34.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC	REAL300020309430	1	44	-1.0	-40.97	367.55	6.08	-34.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC	REAL300020309431	0	41	-1.0	-42.19	353.34	5.22	-36.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC	REAL300020309431	1	41	-1.0	-42.17	353.27	5.19	-36.98
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCOC	REAL300020309432	0	48	-1.0	-41.45	403.15	7.96	-33.49
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCOC	REAL300020309432	1	48	-1.0	-41.43	403.19	7.95	-33.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020309433	0	51	-1.0	-47.27	412.42	7.68	-39.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020309433	1	51	-1.0	-47.31	412.48	7.69	-39.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020309434	0	48	-1.0	-49.30	392.07	6.93	-42.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C(C)=O)CC1	REAL300020309434	1	48	-1.0	-49.37	392.13	6.95	-42.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020309435	0	45	-1.0	-38.82	384.97	8.52	-30.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020309435	1	45	-1.0	-38.79	385.03	8.53	-30.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)SC(C)C1	REAL300020309436	0	42	-1.0	-40.60	363.52	7.76	-32.84
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)SC(C)C1	REAL300020309436	1	42	-1.0	-40.64	363.47	7.73	-32.91
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)SC(C)C1	REAL300020309437	0	49	-1.0	-40.37	411.72	10.47	-29.90
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)SC(C)C1	REAL300020309437	1	49	-1.0	-40.40	411.74	10.46	-29.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020309438	0	60	0.0	-62.95	459.53	11.08	-51.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[NH+]2CCC(C)CC2)C1	REAL300020309438	1	60	0.0	-62.94	459.59	11.10	-51.84
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020309439	0	60	0.0	-61.91	454.72	11.12	-50.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020309439	1	60	0.0	-61.30	448.60	10.63	-50.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@H+]2CCCCC2C)C1	REAL300020309439	1	60	0.0	-61.90	454.77	11.15	-50.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C[N@@H+]2CCCCC2C)C1	REAL300020309439	1	60	0.0	-61.36	448.65	10.65	-50.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020309440	0	42	-1.0	-42.04	369.03	5.68	-36.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020309440	1	42	-1.0	-42.02	369.09	5.70	-36.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020309441	0	39	-1.0	-43.73	347.58	4.92	-38.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020309441	1	39	-1.0	-43.70	347.52	4.90	-38.80
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020309442	0	46	-1.0	-45.15	385.38	7.31	-37.84
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=CC=N1	REAL300020309442	1	46	-1.0	-45.07	385.41	7.30	-37.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020309443	0	51	0.0	-63.82	399.23	9.04	-54.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020309443	1	51	0.0	-62.97	399.21	9.03	-53.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020309443	1	51	0.0	-63.83	399.29	9.05	-54.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020309443	1	51	0.0	-62.96	399.27	9.04	-53.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020309443	1	50	-1.0	-40.18	396.35	6.77	-33.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020309444	0	48	0.0	-63.33	360.99	7.84	-55.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020309444	1	48	0.0	-60.24	382.01	8.17	-52.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+]2CCCCC2C1	REAL300020309444	1	48	0.0	-63.36	361.05	7.86	-55.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+]2CCCCC2C1	REAL300020309444	1	48	0.0	-60.21	382.07	8.19	-52.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2CCCCC2C1	REAL300020309444	1	47	-1.0	-42.92	374.91	6.14	-36.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2CCCCC2C1	REAL300020309444	1	47	-1.0	-42.90	374.97	6.15	-36.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020309445	0	51	-1.0	-41.95	430.11	9.68	-32.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020309445	1	51	-1.0	-41.93	430.17	9.69	-32.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020309446	0	48	-1.0	-43.11	415.90	8.80	-34.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=C(F)C=C1	REAL300020309446	1	48	-1.0	-43.10	415.96	8.83	-34.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020309447	0	57	-1.0	-39.52	454.77	9.62	-29.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020309447	1	57	-1.0	-39.51	454.82	9.63	-29.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020309448	0	54	-1.0	-41.35	436.86	8.73	-32.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCC(C)C)CC1	REAL300020309448	1	54	-1.0	-41.35	436.92	8.75	-32.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020309449	0	44	-1.0	-41.49	395.75	9.30	-32.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(F)(F)F)=C1	REAL300020309449	1	44	-1.0	-41.42	395.81	9.32	-32.10
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C	REAL300020309450	0	43	-1.0	-40.58	352.79	7.97	-32.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C	REAL300020309450	1	43	-1.0	-40.58	352.85	7.98	-32.60
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C	REAL300020309451	0	47	-1.0	-40.86	389.24	9.78	-31.08
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C	REAL300020309451	1	47	-1.0	-40.78	389.28	9.78	-31.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020309452	0	52	-1.0	-44.04	427.56	9.56	-34.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(OC)=C2)CC1	REAL300020309452	1	52	-1.0	-44.06	427.62	9.59	-34.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020309453	0	47	-1.0	-43.85	393.95	9.28	-34.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020309453	1	47	-1.0	-43.87	393.89	9.27	-34.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020309454	0	44	-1.0	-45.18	372.01	8.68	-36.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=NC=N2)CC1	REAL300020309454	1	44	-1.0	-45.17	371.95	8.67	-36.50
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC	REAL300020309455	0	44	-1.0	-40.96	369.47	8.89	-32.07
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC	REAL300020309455	1	44	-1.0	-40.93	369.52	8.88	-32.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020309456	0	50	-1.0	-45.86	421.80	11.28	-34.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC2=CC=CC=C21	REAL300020309456	1	50	-1.0	-45.88	421.85	11.30	-34.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020309457	0	47	-1.0	-39.69	380.69	8.71	-30.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020309457	1	47	-1.0	-39.69	380.75	8.73	-30.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCC1	REAL300020309458	0	44	-1.0	-42.55	363.28	8.09	-34.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCC1	REAL300020309458	1	44	-1.0	-42.55	363.22	8.06	-34.49
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCC1	REAL300020309459	0	51	-1.0	-42.10	401.45	10.87	-31.23
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCC1	REAL300020309459	1	51	-1.0	-42.08	401.48	10.86	-31.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020309460	0	43	-1.0	-54.68	386.65	6.15	-48.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020309460	1	43	-1.0	-54.70	386.71	6.17	-48.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC(C)=N2)CC1	REAL300020309461	0	49	-1.0	-45.56	422.45	5.55	-40.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC(C)=N2)CC1	REAL300020309461	1	49	-1.0	-45.56	422.50	5.57	-39.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCCC2)CC1	REAL300020309462	0	54	-1.0	-49.37	426.89	7.85	-41.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCCC2)CC1	REAL300020309462	1	54	-1.0	-49.36	426.94	7.88	-41.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020309463	0	54	-1.0	-47.07	428.52	7.46	-39.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020309463	1	54	-1.0	-47.05	428.58	7.47	-39.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020309464	0	51	-1.0	-47.74	410.28	6.92	-40.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N2CCCC2)CC1	REAL300020309464	1	51	-1.0	-47.73	410.33	6.95	-40.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC#C)CC1	REAL300020309465	0	45	-1.0	-41.27	379.75	5.94	-35.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC#C)CC1	REAL300020309465	1	45	-1.0	-41.26	379.80	5.95	-35.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC#C)CC1	REAL300020309466	0	42	-1.0	-43.11	362.26	5.28	-37.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC#C)CC1	REAL300020309466	1	42	-1.0	-43.07	362.13	5.26	-37.81
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(CC#C)CC1	REAL300020309467	0	49	-1.0	-140.27	427.49	8.42	-131.85
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC#C)CC1	REAL300020309467	1	49	-1.0	-140.18	427.55	8.41	-131.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020309468	0	47	-1.0	-46.18	405.24	7.48	-38.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(C#N)=CC=N2)CC1	REAL300020309468	1	47	-1.0	-46.15	405.18	7.45	-38.70
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020309469	0	44	-1.0	-40.30	385.90	9.01	-31.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020309469	1	44	-1.0	-40.29	385.95	9.02	-31.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020309470	0	41	-1.0	-41.60	358.10	8.41	-33.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(F)C=C1F	REAL300020309470	1	41	-1.0	-41.59	358.05	8.38	-33.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020309471	0	44	-1.0	-49.92	381.45	10.18	-39.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C(F)(F)F	REAL300020309471	1	44	-1.0	-49.93	381.50	10.21	-39.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC)C1	REAL300020309472	0	45	-1.0	-40.35	372.50	6.46	-33.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC)C1	REAL300020309472	1	45	-1.0	-40.34	372.56	6.48	-33.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC)C1	REAL300020309473	0	42	-1.0	-42.14	354.79	5.84	-36.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC)C1	REAL300020309473	1	42	-1.0	-42.20	354.73	5.81	-36.39
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CC)C1	REAL300020309474	0	49	-1.0	-41.68	388.48	8.01	-33.67
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CC)C1	REAL300020309474	1	49	-1.0	-41.63	388.50	7.99	-33.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020309475	0	49	-1.0	-41.79	410.59	8.71	-33.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020309475	1	49	-1.0	-41.83	410.64	8.73	-33.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020309476	0	46	-1.0	-44.52	389.17	8.19	-36.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2)C1	REAL300020309476	1	46	-1.0	-44.48	389.11	8.16	-36.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020309477	0	50	-1.0	-39.35	402.36	9.69	-29.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020309477	1	50	-1.0	-39.36	402.42	9.71	-29.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC1	REAL300020309478	0	47	-1.0	-42.16	380.83	8.94	-33.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC1	REAL300020309478	1	47	-1.0	-42.18	380.89	8.96	-33.22
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCCC1	REAL300020309479	0	54	-1.0	-41.90	419.21	11.71	-30.19
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCCC1	REAL300020309479	1	54	-1.0	-41.83	419.24	11.71	-30.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020309480	0	57	0.0	-65.12	434.63	10.17	-54.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020309480	1	57	0.0	-65.11	434.69	10.19	-54.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020309481	0	54	0.0	-66.06	412.33	9.76	-56.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)CC1	REAL300020309481	1	54	0.0	-66.07	412.39	9.79	-56.28
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC#C	REAL300020309482	0	40	-1.0	-40.98	355.35	8.67	-32.31
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC#C	REAL300020309482	1	40	-1.0	-40.99	355.47	8.66	-32.33
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC=C	REAL300020309483	0	42	-1.0	-40.97	361.24	8.71	-32.26
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC=C	REAL300020309483	1	42	-1.0	-40.92	361.29	8.70	-32.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020309484	0	52	-1.0	-41.07	425.73	8.84	-32.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020309484	1	52	-1.0	-41.04	425.79	8.86	-32.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020309485	0	49	-1.0	-43.12	407.14	8.37	-34.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC2CC2)C1	REAL300020309485	1	49	-1.0	-43.15	407.20	8.39	-34.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020309486	0	45	-1.0	-40.86	358.93	8.22	-32.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020309486	1	45	-1.0	-40.86	358.99	8.23	-32.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020309487	0	42	-1.0	-44.00	336.85	7.70	-36.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020309487	1	42	-1.0	-44.00	336.79	7.68	-36.32
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020309488	0	49	-1.0	-41.58	391.77	10.32	-31.26
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(C)C	REAL300020309488	1	49	-1.0	-41.56	391.81	10.31	-31.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020309489	0	54	-1.0	-41.69	428.79	5.73	-35.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020309489	1	54	-1.0	-41.72	428.84	5.75	-35.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020309489	1	55	0.0	-71.05	424.54	7.94	-63.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020309490	0	51	-1.0	-44.36	406.82	5.13	-39.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCOCC2)C1	REAL300020309490	1	51	-1.0	-44.30	406.88	5.14	-39.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)C1	REAL300020309490	1	52	0.0	-70.78	401.86	7.47	-63.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020309491	0	54	-1.0	-40.05	426.37	11.31	-28.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020309491	1	54	-1.0	-40.07	426.43	11.33	-28.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020309492	0	51	-1.0	-41.97	408.51	10.65	-31.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C(C)C1	REAL300020309492	1	51	-1.0	-41.97	408.57	10.68	-31.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020309493	0	56	-1.0	-41.64	438.70	11.61	-30.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020309493	1	56	-1.0	-41.61	438.76	11.63	-29.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020309494	0	53	-1.0	-42.67	425.57	10.87	-31.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C1=CC=C(C)C=C1	REAL300020309494	1	53	-1.0	-42.72	425.63	10.90	-31.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020309495	0	50	-1.0	-39.63	395.80	9.04	-30.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020309495	1	50	-1.0	-39.58	395.86	9.06	-30.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C)CC1	REAL300020309496	0	47	-1.0	-42.53	374.84	8.50	-34.03
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C)CC1	REAL300020309496	1	47	-1.0	-42.59	374.90	8.52	-34.07
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)C)CC1	REAL300020309497	0	54	-1.0	-41.21	420.37	11.24	-29.97
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)C)CC1	REAL300020309497	1	54	-1.0	-41.17	420.38	11.23	-29.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020309498	0	45	-1.0	-40.69	390.13	7.10	-33.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020309498	1	45	-1.0	-40.66	390.19	7.11	-33.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020309499	0	42	-1.0	-43.04	359.72	6.42	-36.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(F)(F)F)C1	REAL300020309499	1	42	-1.0	-43.05	359.76	6.45	-36.60
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020309500	0	57	0.0	-63.98	428.31	10.05	-53.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020309500	1	57	0.0	-64.02	428.37	10.07	-53.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020309501	0	54	0.0	-61.61	406.22	9.52	-52.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCC2)C1	REAL300020309501	1	54	0.0	-61.58	406.27	9.54	-52.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OCC)C1	REAL300020309502	0	53	-1.0	-48.97	438.38	9.61	-39.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OCC)C1	REAL300020309502	1	53	-1.0	-48.99	438.44	9.63	-39.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020309503	0	50	-1.0	-49.77	415.79	7.79	-41.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020309503	1	50	-1.0	-49.76	415.73	7.78	-41.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020309504	0	47	-1.0	-50.55	389.43	7.27	-43.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)CC1	REAL300020309504	1	47	-1.0	-50.50	389.38	7.24	-43.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020309505	0	49	-1.0	-43.32	408.01	6.92	-36.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020309505	1	49	-1.0	-43.31	408.06	6.93	-36.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020309506	0	46	-1.0	-44.09	390.94	6.26	-37.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(F)C=C2)C1	REAL300020309506	1	46	-1.0	-44.09	391.00	6.28	-37.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020309507	0	51	-1.0	-48.95	417.54	7.33	-41.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020309507	1	51	-1.0	-48.98	417.59	7.35	-41.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020309508	0	48	-1.0	-49.11	401.19	6.76	-42.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCN(C(C)=O)C1	REAL300020309508	1	48	-1.0	-49.12	401.25	6.79	-42.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)C1	REAL300020309509	0	49	-1.0	-43.42	406.18	6.05	-37.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)C1	REAL300020309509	1	49	-1.0	-43.46	406.24	6.07	-37.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC)C1	REAL300020309510	0	46	-1.0	-44.46	384.68	5.27	-39.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC)C1	REAL300020309510	1	46	-1.0	-44.49	384.74	5.30	-39.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020309511	0	44	-1.0	-41.00	377.00	8.21	-32.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020309511	1	44	-1.0	-40.99	377.06	8.23	-32.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020309512	0	41	-1.0	-42.03	359.22	7.55	-34.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)C1	REAL300020309512	1	41	-1.0	-42.05	359.27	7.58	-34.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020309513	0	49	-1.0	-52.33	392.91	7.40	-44.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020309513	1	49	-1.0	-52.32	392.97	7.42	-44.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020309514	0	46	-1.0	-49.10	371.67	6.95	-42.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)C1	REAL300020309514	1	46	-1.0	-49.11	371.73	6.97	-42.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020309515	0	47	-1.0	-46.35	410.00	8.54	-37.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(C#N)=C2)C1	REAL300020309515	1	47	-1.0	-46.37	410.11	8.58	-37.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020309516	0	49	-1.0	-41.89	388.13	6.03	-35.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020309516	1	49	-1.0	-41.86	388.18	6.04	-35.82
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020309517	0	46	-1.0	-44.07	378.67	6.05	-38.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)C(C)C1	REAL300020309517	1	46	-1.0	-44.06	378.73	6.07	-37.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020309518	0	41	-1.0	-43.88	344.44	7.46	-36.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020309518	1	41	-1.0	-43.88	344.50	7.47	-36.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(F)C1	REAL300020309519	0	38	-1.0	-46.85	323.00	6.70	-40.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(F)C1	REAL300020309519	1	38	-1.0	-46.85	322.95	6.68	-40.17
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020309520	0	45	-1.0	-44.95	368.54	9.20	-35.75
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(F)C1	REAL300020309520	1	45	-1.0	-44.96	368.56	9.19	-35.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020309521	0	49	-1.0	-42.28	406.60	5.71	-36.57
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020309521	1	49	-1.0	-42.31	406.66	5.73	-36.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020309522	0	46	-1.0	-43.48	385.10	4.91	-38.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(=O)C1	REAL300020309522	1	46	-1.0	-43.52	385.16	4.95	-38.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020309523	0	55	-1.0	-42.22	433.59	8.57	-33.65
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020309523	1	55	-1.0	-42.19	433.65	8.58	-33.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020309524	0	52	-1.0	-46.67	409.51	8.04	-38.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2CCOC2)C1	REAL300020309524	1	52	-1.0	-46.67	409.56	8.06	-38.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020309525	0	51	-1.0	-39.82	392.94	9.37	-30.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020309525	1	51	-1.0	-39.77	392.99	9.38	-30.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020309526	0	48	-1.0	-42.57	379.50	8.88	-33.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C2(CCC2)C1	REAL300020309526	1	48	-1.0	-42.59	379.56	8.90	-33.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)C1	REAL300020309527	0	48	-1.0	-40.59	388.71	6.89	-33.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)C1	REAL300020309527	1	48	-1.0	-40.58	388.77	6.91	-33.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(OC)C1	REAL300020309528	0	45	-1.0	-42.93	367.27	6.14	-36.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(OC)C1	REAL300020309528	1	45	-1.0	-42.93	367.22	6.12	-36.81
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(OC)C1	REAL300020309529	0	52	-1.0	-44.66	401.21	8.33	-36.33
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(OC)C1	REAL300020309529	1	52	-1.0	-44.64	401.23	8.32	-36.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020309530	0	53	-1.0	-48.06	418.68	8.73	-39.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C(=O)OC)C1	REAL300020309530	1	53	-1.0	-48.07	418.73	8.75	-39.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020309531	0	49	-1.0	-44.92	402.94	4.62	-40.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020309531	1	49	-1.0	-44.91	402.99	4.64	-40.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020309532	0	46	-1.0	-51.99	383.35	3.83	-48.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@@H](C)C1	REAL300020309532	1	46	-1.0	-52.00	383.41	3.84	-48.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020309533	0	45	-1.0	-44.56	393.81	8.10	-36.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300020309533	1	45	-1.0	-44.58	393.75	8.09	-36.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020309534	0	52	-1.0	-41.58	417.12	8.25	-33.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020309534	1	52	-1.0	-41.58	417.18	8.26	-33.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020309535	0	49	-1.0	-44.33	392.30	7.33	-37.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOC2)CC1	REAL300020309535	1	49	-1.0	-44.29	392.36	7.34	-36.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)(C(C)C)C1	REAL300020309536	0	53	-1.0	-45.15	415.42	8.73	-36.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)(C(C)C)C1	REAL300020309536	1	53	-1.0	-45.14	415.48	8.75	-36.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(CC(C)C)CC2C1	REAL300020309537	0	54	-1.0	-47.99	438.13	8.16	-39.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(CC(C)C)CC2C1	REAL300020309537	1	54	-1.0	-47.96	438.18	8.18	-39.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020309538	0	48	-1.0	-46.51	397.30	6.73	-39.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020309538	1	48	-1.0	-46.50	397.36	6.74	-39.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020309539	0	45	-1.0	-48.93	372.98	6.02	-42.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)CC2C1	REAL300020309539	1	45	-1.0	-48.93	373.04	6.02	-42.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020309540	0	52	-1.0	-42.12	386.22	7.37	-34.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020309540	1	52	-1.0	-42.10	386.28	7.39	-34.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020309541	0	49	-1.0	-45.04	369.72	6.74	-38.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCOCC2)C1	REAL300020309541	1	49	-1.0	-45.09	369.77	6.76	-38.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020309542	0	51	-1.0	-40.09	404.93	7.45	-32.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020309542	1	51	-1.0	-40.08	404.99	7.47	-32.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020309543	0	48	-1.0	-41.97	387.12	6.79	-35.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)(C)C)C1	REAL300020309543	1	48	-1.0	-41.99	387.18	6.82	-35.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020309544	0	54	-1.0	-41.29	438.43	11.41	-29.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020309544	1	54	-1.0	-41.28	438.49	11.42	-29.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020309545	0	51	-1.0	-45.63	407.40	10.77	-34.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2C)C1	REAL300020309545	1	51	-1.0	-45.68	407.46	10.79	-34.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020309546	0	53	-1.0	-40.07	411.59	9.60	-30.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020309546	1	53	-1.0	-40.07	411.65	9.62	-30.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020309547	0	50	-1.0	-43.54	386.96	8.71	-34.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)C)C1	REAL300020309547	1	50	-1.0	-43.59	387.02	8.74	-34.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020309548	0	57	-1.0	-41.11	447.24	6.89	-34.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020309548	1	58	0.0	-68.82	448.05	8.76	-60.06
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020309548	1	57	-1.0	-41.12	447.30	6.90	-34.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020309549	0	54	-1.0	-44.39	425.44	6.27	-38.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020309549	1	55	0.0	-66.58	425.78	8.33	-58.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CN2CCOCC2)C1	REAL300020309549	1	54	-1.0	-44.41	425.50	6.29	-38.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC3CCC2C3)OC(C)(C)C1	REAL300020309550	0	56	-1.0	-41.69	433.07	9.31	-32.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	REAL300020309550	1	56	-1.0	-41.73	432.84	9.36	-32.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020309551	0	48	-1.0	-42.53	390.35	10.04	-32.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020309551	1	48	-1.0	-42.52	390.40	10.05	-32.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020309552	0	45	-1.0	-45.48	372.40	9.47	-36.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1	REAL300020309552	1	45	-1.0	-45.48	372.35	9.45	-36.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020309553	0	42	-1.0	-47.39	353.54	3.45	-43.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020309553	1	42	-1.0	-47.35	353.59	3.46	-43.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)C1	REAL300020309554	0	39	-1.0	-53.63	329.05	2.46	-51.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)C1	REAL300020309554	1	39	-1.0	-53.67	328.99	2.43	-51.24
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020309555	0	46	-1.0	-51.88	383.26	5.35	-46.53
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)C1	REAL300020309555	1	46	-1.0	-51.83	383.31	5.34	-46.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020309556	0	51	-1.0	-45.20	419.78	7.26	-37.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2OC)CC1	REAL300020309556	1	51	-1.0	-45.26	419.83	7.29	-37.97
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1	REAL300020309557	0	42	-1.0	-42.29	342.83	8.57	-33.72
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1	REAL300020309557	1	42	-1.0	-42.24	342.85	8.55	-33.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)C1	REAL300020309558	0	44	-1.0	-39.91	360.42	7.91	-32.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)C1	REAL300020309558	1	44	-1.0	-39.90	360.48	7.92	-31.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)C1	REAL300020309559	0	41	-1.0	-42.18	342.69	7.27	-34.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)C1	REAL300020309559	1	41	-1.0	-42.20	342.64	7.25	-34.95
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020309560	0	48	-1.0	-41.15	390.53	10.20	-30.95
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)C1	REAL300020309560	1	48	-1.0	-41.08	390.55	10.19	-30.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC1	REAL300020309561	0	39	-1.0	-40.65	334.24	5.02	-35.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC1	REAL300020309561	1	39	-1.0	-40.67	334.30	5.03	-35.64
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC1	REAL300020309562	0	43	-1.0	-41.99	362.56	7.02	-34.97
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC1	REAL300020309562	1	43	-1.0	-41.99	362.60	7.01	-34.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020309563	0	45	-1.0	-45.60	375.15	6.19	-39.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020309563	1	45	-1.0	-45.56	375.20	6.21	-39.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020309564	0	42	-1.0	-48.46	356.42	5.49	-42.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020309564	1	42	-1.0	-48.48	356.36	5.47	-43.01
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020309565	0	49	-1.0	-48.56	396.24	8.34	-40.22
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)=O)CC1	REAL300020309565	1	49	-1.0	-48.53	396.28	8.32	-40.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020309566	0	50	-1.0	-41.69	414.98	8.33	-33.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020309566	1	50	-1.0	-41.69	415.03	8.34	-33.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020309567	0	47	-1.0	-45.04	396.75	7.96	-37.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2F)CC1	REAL300020309567	1	47	-1.0	-45.04	396.81	7.99	-37.05
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020309568	0	54	-1.0	-41.24	437.43	11.72	-29.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020309568	1	54	-1.0	-41.26	437.49	11.73	-29.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020309569	0	51	-1.0	-43.60	417.08	10.97	-32.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)CC1	REAL300020309569	1	51	-1.0	-43.63	417.14	11.00	-32.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020309570	0	47	-1.0	-39.69	376.76	8.77	-30.92
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020309570	1	47	-1.0	-39.75	376.82	8.78	-30.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)C1	REAL300020309571	0	44	-1.0	-42.68	359.20	7.93	-34.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)C1	REAL300020309571	1	44	-1.0	-42.67	359.14	7.91	-34.76
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C)C1	REAL300020309572	0	51	-1.0	-40.77	413.37	10.62	-30.15
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C)C1	REAL300020309572	1	51	-1.0	-40.72	413.41	10.61	-30.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020309573	0	50	-1.0	-41.59	419.87	9.00	-32.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020309573	1	50	-1.0	-41.62	419.93	9.01	-32.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020309574	0	47	-1.0	-43.08	398.36	8.20	-34.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)CC1	REAL300020309574	1	47	-1.0	-43.12	398.42	8.23	-34.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC	REAL300020309575	0	43	-1.0	-40.42	355.31	7.78	-32.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC	REAL300020309575	1	43	-1.0	-40.44	355.37	7.79	-32.65
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC	REAL300020309576	0	47	-1.0	-40.84	390.97	9.67	-31.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC	REAL300020309576	1	47	-1.0	-40.84	391.01	9.66	-31.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020309577	0	49	-1.0	-43.67	409.47	6.93	-36.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020309577	1	49	-1.0	-43.69	409.53	6.94	-36.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020309578	0	46	-1.0	-45.48	391.67	6.27	-39.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC)CC1	REAL300020309578	1	46	-1.0	-45.51	391.73	6.29	-39.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020309579	0	50	-1.0	-41.05	418.21	8.41	-32.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020309579	1	50	-1.0	-41.02	418.27	8.42	-32.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020309580	0	47	-1.0	-42.70	396.07	7.82	-34.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2)CC1	REAL300020309580	1	47	-1.0	-42.64	396.13	7.85	-34.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020309581	0	45	-1.0	-45.61	375.59	4.21	-41.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020309581	1	45	-1.0	-45.64	375.65	4.22	-41.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020309582	0	42	-1.0	-49.09	354.60	3.45	-45.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020309582	1	42	-1.0	-49.08	354.54	3.43	-45.65
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020309583	0	49	-1.0	-47.99	395.44	6.13	-41.86
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020309583	1	49	-1.0	-48.04	395.47	6.13	-41.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020309584	0	50	-1.0	-45.03	419.07	9.16	-35.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020309584	1	50	-1.0	-45.05	419.13	9.18	-35.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020309585	0	47	-1.0	-45.79	398.41	8.18	-37.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OCC)C1	REAL300020309585	1	47	-1.0	-45.83	398.46	8.21	-37.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020309586	0	48	-1.0	-43.91	405.90	7.99	-35.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020309586	1	48	-1.0	-43.91	405.84	7.97	-35.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020309587	0	45	-1.0	-46.16	384.42	7.22	-38.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=N2)CC1	REAL300020309587	1	45	-1.0	-46.17	384.37	7.19	-38.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)CC1	REAL300020309588	0	44	-1.0	-39.97	359.85	8.12	-31.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)CC1	REAL300020309588	1	44	-1.0	-40.04	359.91	8.13	-31.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)CC1	REAL300020309589	0	41	-1.0	-43.10	338.11	7.53	-35.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)CC1	REAL300020309589	1	41	-1.0	-43.10	338.06	7.52	-35.58
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020309590	0	48	-1.0	-40.98	387.76	10.06	-30.92
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)CC1	REAL300020309590	1	48	-1.0	-40.96	387.79	10.05	-30.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020309591	0	49	-1.0	-42.18	409.51	7.76	-34.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020309591	1	49	-1.0	-42.20	409.57	7.78	-34.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020309592	0	46	-1.0	-43.85	387.36	7.18	-36.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=N2)CC1	REAL300020309592	1	46	-1.0	-43.81	387.42	7.20	-36.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020309593	0	53	-1.0	-42.30	430.88	9.48	-32.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020309593	1	53	-1.0	-42.28	430.94	9.51	-32.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020309594	0	46	-1.0	-44.09	405.34	8.74	-35.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2Cl)C1	REAL300020309594	1	46	-1.0	-44.04	405.40	8.77	-35.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020309595	0	45	-1.0	-44.58	386.19	6.35	-38.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020309595	1	45	-1.0	-44.57	386.24	6.37	-38.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020309596	0	42	-1.0	-45.87	367.76	5.92	-39.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(=O)OC)C1	REAL300020309596	1	42	-1.0	-45.89	367.81	5.94	-39.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020309597	0	49	-1.0	-46.38	410.74	6.95	-39.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020309597	1	49	-1.0	-46.40	410.80	6.96	-39.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020309598	0	46	-1.0	-49.06	392.89	6.28	-42.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=COC=C2)CC1	REAL300020309598	1	46	-1.0	-49.09	392.95	6.30	-42.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020309599	0	54	0.0	-62.91	415.50	9.79	-53.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020309599	1	54	0.0	-62.93	415.56	9.81	-53.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020309600	0	51	0.0	-63.69	389.73	8.96	-54.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCCCC2)C1	REAL300020309600	1	51	0.0	-63.74	389.78	8.98	-54.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020309601	0	50	-1.0	-41.80	418.32	11.45	-30.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020309601	1	50	-1.0	-41.82	418.38	11.46	-30.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020309602	0	47	-1.0	-43.58	403.13	10.59	-32.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2C=C1	REAL300020309602	1	47	-1.0	-43.57	403.08	10.56	-33.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300020309603	0	54	0.0	-66.46	429.56	10.79	-55.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020309603	1	53	-1.0	-42.84	434.62	8.55	-34.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2C)CC1	REAL300020309603	1	53	-1.0	-42.85	434.68	8.58	-34.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020309604	0	41	-1.0	-38.84	386.30	8.84	-30.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020309604	1	41	-1.0	-38.79	386.36	8.86	-29.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020309605	0	38	-1.0	-40.14	364.78	8.06	-32.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)S1	REAL300020309605	1	38	-1.0	-40.16	364.85	8.08	-32.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020309606	0	52	-1.0	-42.07	432.82	8.22	-33.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020309606	1	52	-1.0	-42.04	432.87	8.24	-33.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020309607	0	49	-1.0	-43.09	414.30	7.51	-35.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(OC)C=C1	REAL300020309607	1	49	-1.0	-43.14	414.36	7.54	-35.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020309608	0	52	-1.0	-44.63	431.88	9.71	-34.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC2=CC=CC=C2)C1	REAL300020309608	1	52	-1.0	-44.66	431.94	9.73	-34.93
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020309609	0	44	-1.0	-41.98	378.70	8.96	-33.02
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020309609	1	44	-1.0	-42.02	378.76	8.98	-33.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CS1	REAL300020309610	0	41	-1.0	-42.58	369.81	8.26	-34.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CS1	REAL300020309610	1	41	-1.0	-42.60	369.75	8.24	-34.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020309611	0	54	0.0	-66.79	425.49	10.69	-56.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020309611	1	54	0.0	-67.94	424.92	10.69	-57.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)CC2=CC=CC=C2)C1	REAL300020309611	1	54	0.0	-66.75	425.54	10.72	-56.03
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([N@@H+](C)CC2=CC=CC=C2)C1	REAL300020309611	1	54	0.0	-67.99	424.98	10.71	-57.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020309612	0	47	-1.0	-53.17	399.05	4.62	-48.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020309612	1	47	-1.0	-53.11	399.11	4.64	-48.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020309613	0	44	-1.0	-57.97	381.29	3.98	-53.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(S(C)(=O)=O)C1	REAL300020309613	1	44	-1.0	-58.00	381.35	3.99	-54.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(CC)C=C2)CC1	REAL300020309614	0	53	-1.0	-42.44	432.53	9.21	-33.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(CC)C=C2)CC1	REAL300020309614	1	53	-1.0	-42.47	432.59	9.23	-33.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020309615	0	49	-1.0	-43.03	410.02	7.70	-35.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020309615	1	49	-1.0	-43.06	409.97	7.70	-35.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020309616	0	46	-1.0	-45.31	392.24	7.05	-38.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CC=C2F)CC1	REAL300020309616	1	46	-1.0	-45.34	392.18	7.03	-38.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020309617	0	48	-1.0	-42.80	411.09	9.13	-33.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020309617	1	48	-1.0	-42.82	411.15	9.14	-33.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020309618	0	45	-1.0	-45.63	381.21	8.00	-37.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C2C=CNC2=CC=C1	REAL300020309618	1	45	-1.0	-45.63	381.15	7.97	-37.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=C(C)S2)CC1	REAL300020309619	0	49	-1.0	-44.27	421.53	7.25	-37.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=C(C)S2)CC1	REAL300020309619	1	49	-1.0	-44.28	421.59	7.28	-37.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020309620	0	47	-1.0	-41.44	408.24	9.69	-31.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020309620	1	47	-1.0	-41.40	408.30	9.71	-31.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020309621	0	44	-1.0	-42.95	386.79	8.93	-34.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2O1	REAL300020309621	1	44	-1.0	-42.94	386.74	8.91	-34.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020309622	0	47	-1.0	-40.04	404.86	7.54	-32.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020309622	1	47	-1.0	-40.04	404.92	7.56	-32.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020309623	0	44	-1.0	-42.22	383.09	6.76	-35.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CS2)CC1	REAL300020309623	1	44	-1.0	-42.19	383.15	6.78	-35.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCCOC	REAL300020309624	0	55	-1.0	-46.12	456.63	5.89	-40.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCCOC	REAL300020309624	1	55	-1.0	-46.12	456.69	5.91	-40.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCCOC	REAL300020309625	0	52	-1.0	-46.18	442.52	5.00	-41.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCCOC	REAL300020309625	1	52	-1.0	-46.20	442.58	5.02	-41.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020309626	0	56	0.0	-66.49	426.01	9.79	-56.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020309626	1	56	0.0	-66.48	426.06	9.81	-56.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020309627	0	53	0.0	-67.74	413.90	9.24	-58.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+](CC)CC)C1	REAL300020309627	1	53	0.0	-67.73	413.95	9.27	-58.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020309628	0	51	-1.0	-42.10	427.73	6.90	-35.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020309628	1	51	-1.0	-42.07	427.79	6.92	-35.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020309629	0	48	-1.0	-43.64	404.00	6.18	-37.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=C2C)CC1	REAL300020309629	1	48	-1.0	-43.67	404.07	6.21	-37.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020309630	0	53	-1.0	-40.44	435.11	9.44	-31.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020309630	1	53	-1.0	-40.45	435.16	9.46	-30.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020309631	0	50	-1.0	-41.86	414.47	8.48	-33.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC2=CC=CC=C2)C1	REAL300020309631	1	50	-1.0	-41.83	414.53	8.50	-33.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020309632	0	44	-1.0	-39.36	391.73	9.18	-30.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020309632	1	44	-1.0	-39.33	391.79	9.19	-30.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020309633	0	41	-1.0	-41.96	363.36	8.54	-33.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC(F)=C1	REAL300020309633	1	41	-1.0	-41.96	363.30	8.52	-33.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC)C1	REAL300020309634	0	50	-1.0	-39.91	400.29	9.31	-30.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC)C1	REAL300020309634	1	50	-1.0	-39.92	400.35	9.32	-30.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC)C1	REAL300020309635	0	47	-1.0	-43.37	367.87	8.17	-35.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC)C1	REAL300020309635	1	47	-1.0	-43.37	367.94	8.20	-35.17
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CCC)C1	REAL300020309636	0	54	-1.0	-40.72	432.37	11.41	-29.31
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CCC)C1	REAL300020309636	1	54	-1.0	-40.70	432.43	11.40	-29.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020309637	0	54	-1.0	-42.16	449.25	10.08	-32.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020309637	1	54	-1.0	-42.14	449.31	10.10	-32.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020309638	0	51	-1.0	-43.45	435.04	9.21	-34.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOCC1=CC=CC=C1	REAL300020309638	1	51	-1.0	-43.46	435.10	9.23	-34.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020309639	0	52	-1.0	-39.90	425.17	9.07	-30.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020309639	1	52	-1.0	-39.91	425.22	9.08	-30.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020309640	0	49	-1.0	-41.78	403.63	8.29	-33.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)CC1	REAL300020309640	1	49	-1.0	-41.83	403.68	8.31	-33.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020309641	0	44	-1.0	-40.83	390.11	7.61	-33.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020309641	1	44	-1.0	-40.82	390.17	7.63	-33.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020309642	0	41	-1.0	-45.73	362.42	6.99	-38.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)N1C	REAL300020309642	1	41	-1.0	-45.72	362.37	6.97	-38.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020309643	0	52	-1.0	-38.81	412.15	10.24	-28.57
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020309643	1	52	-1.0	-38.81	412.21	10.26	-28.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020309644	0	49	-1.0	-42.30	390.11	9.84	-32.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2(CCCCC2)C1	REAL300020309644	1	49	-1.0	-42.24	390.16	9.87	-32.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020309645	0	58	0.0	-65.14	435.43	10.91	-54.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020309645	1	58	0.0	-65.14	435.37	10.89	-54.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020309646	0	55	0.0	-60.34	406.70	10.46	-49.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020309646	1	55	0.0	-60.35	406.78	10.46	-49.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020309647	0	46	-1.0	-44.48	405.84	8.67	-35.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC(Cl)=C2)C1	REAL300020309647	1	46	-1.0	-44.49	405.90	8.70	-35.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020309648	0	49	-1.0	-49.71	424.47	7.78	-41.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020309648	1	49	-1.0	-49.74	424.53	7.80	-41.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020309649	0	46	-1.0	-50.98	409.24	6.90	-44.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(S(C)=O)C=C1	REAL300020309649	1	46	-1.0	-50.98	409.29	6.92	-44.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC)CC1	REAL300020309650	0	51	-1.0	-44.13	422.62	6.44	-37.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC)CC1	REAL300020309650	1	51	-1.0	-44.10	422.67	6.46	-37.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC)CC1	REAL300020309651	0	48	-1.0	-45.22	401.11	5.66	-39.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC)CC1	REAL300020309651	1	48	-1.0	-45.25	401.16	5.68	-39.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020309652	0	48	-1.0	-46.97	403.24	5.77	-41.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020309652	1	48	-1.0	-46.92	403.30	5.79	-41.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020309653	0	45	-1.0	-49.90	381.73	4.99	-44.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)CC1	REAL300020309653	1	45	-1.0	-49.88	381.79	5.01	-44.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020309654	0	52	-1.0	-46.68	421.38	5.88	-40.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC(C)(C)C)C1	REAL300020309654	1	52	-1.0	-46.72	421.43	5.90	-40.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020309655	0	41	-1.0	-39.48	369.63	8.20	-31.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020309655	1	41	-1.0	-39.47	369.69	8.22	-31.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CS1	REAL300020309656	0	38	-1.0	-43.65	341.26	7.54	-36.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CS1	REAL300020309656	1	38	-1.0	-43.65	341.20	7.52	-36.13
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CS1	REAL300020309657	0	45	-1.0	-42.22	385.69	10.20	-32.02
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CS1	REAL300020309657	1	45	-1.0	-42.20	385.72	10.19	-32.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020309658	0	41	-1.0	-41.54	372.82	9.09	-32.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1Cl	REAL300020309658	1	41	-1.0	-41.54	372.87	9.11	-32.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020309659	0	51	-1.0	-44.98	413.98	7.44	-37.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020309659	1	51	-1.0	-44.96	414.04	7.45	-37.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020309660	0	48	-1.0	-47.81	394.14	6.67	-41.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(C)C)CC1	REAL300020309660	1	48	-1.0	-47.84	394.19	6.70	-41.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N2CCOCC2)CC1	REAL300020309661	0	53	-1.0	-46.77	425.18	6.32	-40.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N2CCOCC2)CC1	REAL300020309661	1	53	-1.0	-46.76	425.23	6.34	-40.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020309662	0	50	-1.0	-44.50	410.77	8.93	-35.57
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020309662	1	50	-1.0	-44.51	410.83	8.94	-35.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020309663	0	47	-1.0	-46.54	386.91	7.97	-38.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OCC1=CC=CC=C12	REAL300020309663	1	47	-1.0	-46.53	386.97	7.99	-38.54
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020309664	0	52	-1.0	-45.45	419.48	8.16	-37.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020309664	1	52	-1.0	-45.43	419.54	8.18	-37.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020309665	0	49	-1.0	-48.42	397.54	7.56	-40.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCCC2=O)CC1	REAL300020309665	1	49	-1.0	-48.47	397.59	7.58	-40.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC)C1	REAL300020309666	0	45	-1.0	-41.27	372.21	6.31	-34.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC)C1	REAL300020309666	1	45	-1.0	-41.32	372.26	6.32	-35.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC)C1	REAL300020309667	0	42	-1.0	-42.82	354.48	5.67	-37.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC)C1	REAL300020309667	1	42	-1.0	-42.82	354.42	5.65	-37.17
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(OC)C1	REAL300020309668	0	49	-1.0	-43.44	393.13	8.45	-34.99
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(OC)C1	REAL300020309668	1	49	-1.0	-43.46	393.15	8.44	-35.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC)CC1	REAL300020309669	0	48	-1.0	-40.97	393.51	7.02	-33.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC)CC1	REAL300020309669	1	48	-1.0	-41.03	393.57	7.03	-34.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC)CC1	REAL300020309670	0	45	-1.0	-44.16	371.58	6.41	-37.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC)CC1	REAL300020309670	1	45	-1.0	-44.14	371.64	6.43	-37.71
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COC)CC1	REAL300020309671	0	52	-1.0	-42.04	424.00	9.07	-32.97
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COC)CC1	REAL300020309671	1	52	-1.0	-42.06	424.03	9.05	-33.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020309672	0	40	-1.0	-47.07	348.72	4.59	-42.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020309672	1	40	-1.0	-47.09	348.77	4.61	-42.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)CC1	REAL300020309673	0	37	-1.0	-46.91	330.87	3.95	-42.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)CC1	REAL300020309673	1	37	-1.0	-46.90	330.81	3.93	-42.97
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020309674	0	44	-1.0	-48.51	380.68	6.69	-41.82
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS(=O)CC1	REAL300020309674	1	44	-1.0	-48.44	380.73	6.68	-41.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020309675	0	57	0.0	-61.07	433.94	10.36	-50.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020309675	1	57	0.0	-61.08	434.00	10.37	-50.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020309676	0	54	0.0	-57.98	413.03	9.60	-48.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCCC2)C1	REAL300020309676	1	54	0.0	-58.02	413.09	9.63	-48.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=C)CC1	REAL300020309677	0	42	-1.0	-39.74	352.22	7.83	-31.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=C)CC1	REAL300020309677	1	42	-1.0	-39.74	352.28	7.84	-31.90
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(=C)CC1	REAL300020309678	0	46	-1.0	-40.82	384.33	9.91	-30.91
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(=C)CC1	REAL300020309678	1	46	-1.0	-40.84	384.38	9.90	-30.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020309679	0	48	-1.0	-40.76	387.37	7.42	-33.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020309679	1	48	-1.0	-40.73	387.43	7.44	-33.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCOC1	REAL300020309680	0	45	-1.0	-43.42	365.62	6.63	-36.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCOC1	REAL300020309680	1	45	-1.0	-43.46	365.68	6.65	-36.81
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCOC1	REAL300020309681	0	52	-1.0	-42.12	413.91	9.33	-32.79
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCOC1	REAL300020309681	1	52	-1.0	-42.15	413.93	9.32	-32.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020309682	0	54	-1.0	-40.18	429.21	11.19	-28.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020309682	1	54	-1.0	-40.20	429.27	11.20	-29.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020309683	0	51	-1.0	-43.14	404.80	10.31	-32.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC=C2)CC1	REAL300020309683	1	51	-1.0	-43.12	404.85	10.33	-32.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020309684	0	54	-1.0	-40.36	437.98	11.50	-28.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020309684	1	54	-1.0	-40.43	438.04	11.51	-28.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020309685	0	51	-1.0	-42.55	420.20	10.84	-31.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=CC=C2)C1	REAL300020309685	1	51	-1.0	-42.53	420.25	10.87	-31.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020309686	0	40	-1.0	-44.17	351.07	5.33	-38.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020309686	1	40	-1.0	-44.17	351.13	5.35	-38.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C#N)C1	REAL300020309687	0	37	-1.0	-45.83	329.63	4.82	-41.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C#N)C1	REAL300020309687	1	37	-1.0	-45.80	329.57	4.79	-41.01
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020309688	0	44	-1.0	-46.21	380.66	7.63	-38.58
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C#N)C1	REAL300020309688	1	44	-1.0	-46.14	380.68	7.63	-38.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020309689	0	53	-1.0	-48.41	430.38	5.27	-43.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020309689	1	53	-1.0	-48.44	430.44	5.29	-43.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020309690	0	50	-1.0	-49.74	412.06	4.58	-45.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N(C)C)CC1	REAL300020309690	1	50	-1.0	-49.77	412.12	4.60	-45.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)N2CCCC2)CC1	REAL300020309691	0	54	-1.0	-49.55	439.43	5.90	-43.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)N2CCCC2)CC1	REAL300020309691	1	54	-1.0	-49.54	439.49	5.93	-43.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020309692	0	44	-1.0	-43.34	382.27	6.87	-36.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020309692	1	44	-1.0	-43.34	382.21	6.86	-36.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020309693	0	41	-1.0	-44.63	354.26	6.19	-38.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020309693	1	41	-1.0	-44.63	354.20	6.17	-38.46
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020309694	0	48	-1.0	-45.66	399.42	8.86	-36.80
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(C)N=C1	REAL300020309694	1	48	-1.0	-45.67	399.39	8.86	-36.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020309695	0	50	-1.0	-41.06	423.64	7.61	-33.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020309695	1	50	-1.0	-41.08	423.70	7.63	-33.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020309695	1	51	0.0	-66.46	425.32	9.84	-56.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020309696	0	47	-1.0	-43.04	405.81	6.95	-36.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CS2)CC1	REAL300020309696	1	47	-1.0	-43.04	405.86	6.98	-36.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CS2)CC1	REAL300020309696	1	48	0.0	-65.66	408.34	9.23	-56.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020309697	0	47	-1.0	-42.51	404.90	7.70	-34.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020309697	1	47	-1.0	-42.48	404.96	7.71	-34.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020309698	0	44	-1.0	-46.39	376.59	7.07	-39.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C2OCOC2=C1	REAL300020309698	1	44	-1.0	-46.43	376.54	7.04	-39.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(OC)=C(OC)C=C1C	REAL300020309699	0	52	-1.0	-44.15	432.91	8.42	-35.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(OC)=C(OC)C=C1C	REAL300020309699	1	52	-1.0	-44.16	432.97	8.44	-35.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020309700	0	52	-1.0	-43.67	430.99	6.77	-36.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020309700	1	52	-1.0	-43.70	431.05	6.79	-36.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020309701	0	49	-1.0	-47.25	413.18	5.97	-41.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=NOC(C)=C2)CC1	REAL300020309701	1	49	-1.0	-47.28	413.24	5.99	-41.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020309702	0	46	-1.0	-42.88	410.50	8.50	-34.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020309702	1	46	-1.0	-42.86	410.56	8.52	-34.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020309703	0	43	-1.0	-43.91	390.10	8.00	-35.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=CC=CC=C2S1	REAL300020309703	1	43	-1.0	-43.92	390.04	7.97	-35.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020309704	0	51	-1.0	-41.47	423.34	9.29	-32.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020309704	1	51	-1.0	-41.48	423.40	9.30	-32.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020309705	0	48	-1.0	-43.97	401.91	8.53	-35.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CC=C1OC	REAL300020309705	1	48	-1.0	-44.02	401.85	8.50	-35.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC=C)C1	REAL300020309706	0	46	-1.0	-40.91	385.46	7.37	-33.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC=C)C1	REAL300020309706	1	46	-1.0	-40.89	385.52	7.38	-33.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC=C)C1	REAL300020309707	0	43	-1.0	-41.90	363.96	6.58	-35.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC=C)C1	REAL300020309707	1	43	-1.0	-41.91	364.02	6.61	-35.30
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC=C)C1	REAL300020309708	0	50	-1.0	-42.27	413.95	9.33	-32.94
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC=C)C1	REAL300020309708	1	50	-1.0	-42.20	413.97	9.32	-32.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020309709	0	44	-1.0	-39.83	364.24	7.70	-32.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020309709	1	44	-1.0	-39.82	364.30	7.71	-32.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1	REAL300020309710	0	41	-1.0	-42.49	337.47	7.02	-35.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1	REAL300020309710	1	41	-1.0	-42.51	337.41	7.00	-35.51
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020309711	0	48	-1.0	-41.96	382.65	9.53	-32.43
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1	REAL300020309711	1	48	-1.0	-41.95	382.70	9.53	-32.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020309712	0	50	-1.0	-40.01	398.59	9.34	-30.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020309712	1	50	-1.0	-39.96	398.65	9.35	-30.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)C)C1	REAL300020309713	0	47	-1.0	-43.28	374.17	8.46	-34.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)C)C1	REAL300020309713	1	47	-1.0	-43.32	374.22	8.48	-34.84
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)C)C1	REAL300020309714	0	54	-1.0	-41.84	416.64	11.14	-30.70
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)C)C1	REAL300020309714	1	54	-1.0	-41.79	416.67	11.13	-30.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)C1	REAL300020309715	0	48	-1.0	-41.74	394.49	7.04	-34.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)C1	REAL300020309715	1	48	-1.0	-41.74	394.55	7.06	-34.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)C1	REAL300020309716	0	45	-1.0	-44.16	376.14	6.36	-37.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)C1	REAL300020309716	1	45	-1.0	-44.18	376.20	6.38	-37.80
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCOC)C1	REAL300020309717	0	52	-1.0	-43.38	416.96	8.95	-34.43
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCOC)C1	REAL300020309717	1	52	-1.0	-43.40	416.98	8.94	-34.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020309718	0	48	-1.0	-40.29	383.83	9.18	-31.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020309718	1	48	-1.0	-40.28	383.89	9.19	-31.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020309719	0	45	-1.0	-42.04	365.99	8.54	-33.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020309719	1	45	-1.0	-42.04	365.93	8.52	-33.52
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020309720	0	52	-1.0	-41.11	415.89	11.28	-29.83
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020309720	1	52	-1.0	-41.04	415.89	11.26	-29.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020309721	0	56	-1.0	-40.58	449.22	5.91	-34.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020309721	1	56	-1.0	-40.56	449.28	5.93	-34.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020309721	1	57	0.0	-66.35	441.33	8.19	-58.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020309721	1	57	0.0	-66.87	448.72	8.28	-58.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020309722	0	53	-1.0	-44.11	420.38	5.23	-38.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1C[C@@H](C)O[C@@H](C)C1	REAL300020309722	1	53	-1.0	-44.14	420.44	5.26	-38.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020309722	1	54	0.0	-66.77	419.81	7.56	-59.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020309722	1	54	0.0	-62.60	425.21	7.74	-54.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020309723	0	52	-1.0	-41.82	423.86	9.20	-32.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020309723	1	52	-1.0	-41.84	423.92	9.21	-32.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020309724	0	49	-1.0	-43.52	407.57	8.57	-34.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2C)C1	REAL300020309724	1	49	-1.0	-43.49	407.63	8.60	-34.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020309725	0	49	-1.0	-41.65	380.39	7.35	-34.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020309725	1	49	-1.0	-41.64	380.44	7.37	-34.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020309726	0	46	-1.0	-43.88	362.32	6.69	-37.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(C1)C2O	REAL300020309726	1	46	-1.0	-43.84	362.38	6.71	-37.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC)C1	REAL300020309727	0	42	-1.0	-41.99	346.22	5.66	-36.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC)C1	REAL300020309727	1	42	-1.0	-42.01	346.28	5.68	-36.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC)C1	REAL300020309728	0	39	-1.0	-45.70	324.20	5.14	-40.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC)C1	REAL300020309728	1	39	-1.0	-45.69	324.14	5.12	-40.57
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OC)C1	REAL300020309729	0	46	-1.0	-42.35	379.11	7.78	-34.57
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OC)C1	REAL300020309729	1	46	-1.0	-42.30	379.15	7.78	-34.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020309730	0	47	-1.0	-40.69	353.18	7.59	-33.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020309730	1	47	-1.0	-40.71	353.24	7.61	-33.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C)C1	REAL300020309731	0	44	-1.0	-43.45	336.67	6.97	-36.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C)C1	REAL300020309731	1	44	-1.0	-43.39	336.62	6.94	-36.45
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C(C)C1	REAL300020309732	0	51	-1.0	-41.65	399.01	10.52	-31.13
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C(C)C1	REAL300020309732	1	51	-1.0	-41.59	399.05	10.52	-31.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)C1	REAL300020309733	0	42	-1.0	-41.60	357.26	5.61	-35.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)C1	REAL300020309733	1	42	-1.0	-41.57	357.32	5.62	-35.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)C1	REAL300020309734	0	39	-1.0	-42.10	320.48	4.96	-37.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)C1	REAL300020309734	1	39	-1.0	-42.08	320.42	4.94	-37.14
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC)C1	REAL300020309735	0	46	-1.0	-42.67	385.48	7.57	-35.10
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC)C1	REAL300020309735	1	46	-1.0	-42.68	385.53	7.55	-35.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020309736	0	47	-1.0	-39.76	378.81	8.54	-31.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020309736	1	47	-1.0	-39.80	378.87	8.56	-31.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020309737	0	44	-1.0	-42.50	360.79	7.92	-34.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020309737	1	44	-1.0	-42.51	360.73	7.89	-34.62
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC)C1	REAL300020309738	0	51	-1.0	-41.88	398.10	10.71	-31.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC)C1	REAL300020309738	1	51	-1.0	-41.90	398.15	10.70	-31.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020309739	0	50	-1.0	-39.57	400.69	9.37	-30.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020309739	1	50	-1.0	-39.56	400.74	9.39	-30.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020309740	0	47	-1.0	-42.61	375.08	8.67	-33.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020309740	1	47	-1.0	-42.61	375.03	8.65	-33.96
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020309741	0	54	-1.0	-40.69	429.02	11.36	-29.33
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)CC(C)(C)C1	REAL300020309741	1	54	-1.0	-40.60	429.07	11.35	-29.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCC=C	REAL300020309742	0	50	-1.0	-40.60	411.12	9.90	-30.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCC=C	REAL300020309742	1	50	-1.0	-40.59	411.18	9.92	-30.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCC=C	REAL300020309743	0	47	-1.0	-41.67	396.92	9.03	-32.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCC=C	REAL300020309743	1	47	-1.0	-41.76	396.97	9.05	-32.71
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCCCC=C	REAL300020309744	0	54	-1.0	-40.97	446.78	11.79	-29.18
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCCCC=C	REAL300020309744	1	54	-1.0	-40.95	446.82	11.78	-29.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(CC)C1	REAL300020309745	0	45	-1.0	-39.28	379.78	8.74	-30.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(CC)C1	REAL300020309745	1	45	-1.0	-39.31	379.84	8.76	-30.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(CC)C1	REAL300020309746	0	42	-1.0	-40.39	361.78	7.97	-32.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(CC)C1	REAL300020309746	1	42	-1.0	-40.34	361.72	7.95	-32.39
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(CC)C1	REAL300020309747	0	49	-1.0	-40.29	412.00	10.50	-29.79
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(CC)C1	REAL300020309747	1	49	-1.0	-40.31	412.04	10.49	-29.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1	REAL300020309748	0	44	-1.0	-41.00	354.15	7.87	-33.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1	REAL300020309748	1	44	-1.0	-41.00	354.20	7.89	-33.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1	REAL300020309749	0	41	-1.0	-42.73	332.30	6.96	-35.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1	REAL300020309749	1	41	-1.0	-42.71	332.24	6.93	-35.78
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020309750	0	48	-1.0	-41.74	382.09	9.68	-32.06
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1	REAL300020309750	1	48	-1.0	-41.73	382.11	9.67	-32.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020309751	0	45	-1.0	-38.89	381.16	8.78	-30.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020309751	1	45	-1.0	-38.90	381.22	8.80	-30.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C)(C)C1	REAL300020309752	0	42	-1.0	-40.57	359.27	8.21	-32.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C)(C)C1	REAL300020309752	1	42	-1.0	-40.59	359.21	8.19	-32.40
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC(C)(C)C1	REAL300020309753	0	49	-1.0	-41.00	404.29	10.98	-30.02
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC(C)(C)C1	REAL300020309753	1	49	-1.0	-40.96	404.32	10.97	-29.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020309754	0	49	-1.0	-39.95	387.81	7.46	-32.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020309754	1	49	-1.0	-39.97	387.87	7.47	-32.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OCCCC2C1	REAL300020309755	0	46	-1.0	-42.93	370.34	7.01	-35.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OCCCC2C1	REAL300020309755	1	46	-1.0	-42.98	370.40	7.04	-35.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCC)C1	REAL300020309756	0	48	-1.0	-40.37	393.33	7.46	-32.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCC)C1	REAL300020309756	1	48	-1.0	-40.37	393.39	7.47	-32.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCC)C1	REAL300020309757	0	45	-1.0	-42.28	376.25	6.58	-35.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCC)C1	REAL300020309757	1	45	-1.0	-42.33	376.31	6.61	-35.72
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCC)C1	REAL300020309758	0	52	-1.0	-41.80	421.29	9.52	-32.28
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCC)C1	REAL300020309758	1	52	-1.0	-41.82	421.33	9.51	-32.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020309759	0	53	-1.0	-39.76	415.10	10.27	-29.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020309759	1	53	-1.0	-39.75	415.16	10.28	-29.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020309760	0	50	-1.0	-43.39	390.57	9.37	-34.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(CCC)C1	REAL300020309760	1	50	-1.0	-43.35	390.63	9.40	-33.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020309761	0	57	-1.0	-46.95	459.22	7.81	-39.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020309761	1	57	-1.0	-46.99	459.28	7.82	-39.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020309762	0	54	-1.0	-50.49	441.47	7.15	-43.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)C(C)C)C1	REAL300020309762	1	54	-1.0	-50.46	441.53	7.18	-43.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)CCC)C1	REAL300020309763	0	57	-1.0	-47.06	461.17	7.91	-39.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)CCC)C1	REAL300020309763	1	57	-1.0	-47.08	461.23	7.93	-39.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNC(=O)CCC)C1	REAL300020309764	0	54	-1.0	-50.66	443.10	7.26	-43.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNC(=O)CCC)C1	REAL300020309764	1	54	-1.0	-50.62	443.16	7.28	-43.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)CCC)C1	REAL300020309765	0	54	-1.0	-43.42	444.23	7.54	-35.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)CCC)C1	REAL300020309765	1	54	-1.0	-43.42	444.29	7.55	-35.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)CCC)C1	REAL300020309766	0	51	-1.0	-45.12	423.56	6.57	-38.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)CCC)C1	REAL300020309766	1	51	-1.0	-45.11	423.62	6.59	-38.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCCCC)C1	REAL300020309767	0	57	-1.0	-48.88	464.79	8.14	-40.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCCCC)C1	REAL300020309767	1	57	-1.0	-48.87	464.85	8.15	-40.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCCCC)C1	REAL300020309768	0	54	-1.0	-49.74	444.14	7.16	-42.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCCCC)C1	REAL300020309768	1	54	-1.0	-49.77	444.20	7.19	-42.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020309769	0	52	-1.0	-47.88	428.40	7.35	-40.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020309769	1	52	-1.0	-47.89	428.46	7.36	-40.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020309770	0	49	-1.0	-53.54	410.93	6.49	-47.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC2CC2)C1	REAL300020309770	1	49	-1.0	-53.48	410.99	6.52	-46.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NC(C)CCC)C1	REAL300020309771	0	57	-1.0	-49.92	463.90	8.17	-41.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NC(C)CCC)C1	REAL300020309771	1	57	-1.0	-49.96	463.96	8.19	-41.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCCC)C1	REAL300020309772	0	54	-1.0	-49.02	443.30	7.36	-41.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCCC)C1	REAL300020309772	1	54	-1.0	-49.04	443.35	7.37	-41.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)NCCC)C1	REAL300020309773	0	51	-1.0	-49.95	422.64	6.39	-43.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)NCCC)C1	REAL300020309773	1	51	-1.0	-49.98	422.70	6.41	-43.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)CCCCC)CC1	REAL300020309774	0	57	-1.0	-49.31	466.54	8.12	-41.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)CCCCC)CC1	REAL300020309774	1	57	-1.0	-49.35	466.59	8.15	-41.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020309775	0	57	-1.0	-43.07	461.17	8.02	-35.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020309775	1	57	-1.0	-43.07	461.23	8.03	-35.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020309776	0	54	-1.0	-44.78	440.49	7.05	-37.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)C(C)(C)C)C1	REAL300020309776	1	54	-1.0	-44.77	440.55	7.08	-37.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(=O)NC	REAL300020309777	0	44	-1.0	-50.21	371.93	4.53	-45.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(=O)NC	REAL300020309777	1	44	-1.0	-50.21	371.98	4.54	-45.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(=O)NC	REAL300020309778	0	41	-1.0	-50.23	357.78	3.67	-46.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(=O)NC	REAL300020309778	1	41	-1.0	-50.22	357.72	3.65	-46.57
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(=O)NC	REAL300020309779	0	48	-1.0	-50.07	407.59	6.41	-43.66
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(=O)NC	REAL300020309779	1	48	-1.0	-50.04	407.63	6.40	-43.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCCC)CC1	REAL300020309780	0	57	-1.0	-43.85	465.62	7.98	-35.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCCC)CC1	REAL300020309780	1	57	-1.0	-43.89	465.67	7.99	-35.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCCC)CC1	REAL300020309781	0	54	-1.0	-48.26	440.96	7.30	-40.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCCC)CC1	REAL300020309781	1	54	-1.0	-48.26	441.02	7.32	-40.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020309782	0	46	-1.0	-44.82	403.47	7.25	-37.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CS2)CC1	REAL300020309782	1	46	-1.0	-44.84	403.54	7.28	-37.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020309783	0	41	-1.0	-39.97	362.54	8.19	-31.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020309783	1	41	-1.0	-39.94	362.59	8.21	-31.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC=C1	REAL300020309784	0	38	-1.0	-42.85	340.84	7.41	-35.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC=C1	REAL300020309784	1	38	-1.0	-42.84	340.78	7.39	-35.45
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CSC=C1	REAL300020309785	0	45	-1.0	-41.72	385.28	10.06	-31.66
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CSC=C1	REAL300020309785	1	45	-1.0	-41.71	385.30	10.05	-31.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020309786	0	49	-1.0	-48.55	416.98	3.36	-45.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020309786	1	49	-1.0	-48.52	417.04	3.37	-45.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020309787	0	46	-1.0	-49.61	395.47	2.57	-47.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NS(C)(=O)=O)CC1	REAL300020309787	1	46	-1.0	-49.63	395.53	2.60	-47.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020309788	0	43	-1.0	-54.68	386.65	6.15	-48.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=C(C=CS2)N1	REAL300020309788	1	43	-1.0	-54.70	386.71	6.17	-48.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020309789	0	50	-1.0	-44.58	421.42	10.01	-34.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CC=C2)CC1	REAL300020309789	1	50	-1.0	-44.53	421.47	10.04	-34.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020309790	0	53	-1.0	-40.01	435.84	9.70	-30.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020309790	1	53	-1.0	-40.05	435.90	9.71	-30.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020309791	0	50	-1.0	-42.55	411.73	9.01	-33.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C)CC1	REAL300020309791	1	50	-1.0	-42.55	411.79	9.03	-33.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020309792	0	46	-1.0	-45.71	394.62	3.79	-41.92
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020309792	1	46	-1.0	-45.71	394.68	3.81	-41.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020309793	0	43	-1.0	-46.91	376.93	3.10	-43.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020309793	1	43	-1.0	-46.97	376.98	3.12	-43.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020309794	0	48	-1.0	-42.67	400.70	5.76	-36.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020309794	1	48	-1.0	-42.64	400.64	5.75	-36.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020309795	0	45	-1.0	-45.00	382.91	5.12	-39.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN=CC=N2)CC1	REAL300020309795	1	45	-1.0	-44.97	382.86	5.09	-39.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020309796	0	51	-1.0	-40.18	416.68	10.75	-29.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020309796	1	51	-1.0	-40.18	416.74	10.77	-29.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020309797	0	48	-1.0	-43.45	394.38	10.34	-33.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)CC1	REAL300020309797	1	48	-1.0	-43.43	394.44	10.37	-33.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020309798	0	50	-1.0	-41.23	422.91	11.25	-29.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020309798	1	50	-1.0	-41.16	422.97	11.26	-29.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020309799	0	47	-1.0	-46.48	395.20	10.62	-35.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=CC=CC=C21	REAL300020309799	1	47	-1.0	-46.45	395.16	10.60	-35.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1	REAL300020309800	0	41	-1.0	-40.42	338.74	7.64	-32.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1	REAL300020309800	1	41	-1.0	-40.37	338.79	7.65	-32.72
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1	REAL300020309801	0	45	-1.0	-41.02	371.71	9.47	-31.55
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1	REAL300020309801	1	45	-1.0	-40.97	371.75	9.46	-31.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020309802	0	49	-1.0	-41.92	416.79	8.80	-33.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020309802	1	49	-1.0	-41.85	416.85	8.81	-33.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020309803	0	46	-1.0	-43.31	399.01	8.15	-35.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020309803	1	46	-1.0	-43.29	399.07	8.17	-35.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020309804	0	48	-1.0	-47.06	394.21	4.94	-42.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020309804	1	48	-1.0	-47.02	394.26	4.95	-42.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020309805	0	45	-1.0	-51.15	376.31	4.04	-47.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(N)=O)CC1	REAL300020309805	1	45	-1.0	-51.17	376.36	4.06	-47.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020309806	0	55	0.0	-71.08	431.64	7.92	-63.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020309806	1	55	0.0	-71.07	431.70	7.93	-63.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020309807	0	52	0.0	-67.79	407.96	7.34	-60.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCOC2)CC1	REAL300020309807	1	52	0.0	-67.78	408.02	7.36	-60.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020309808	0	48	-1.0	-42.11	393.98	7.73	-34.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020309808	1	48	-1.0	-42.12	394.03	7.75	-34.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1CC1	REAL300020309809	0	45	-1.0	-42.79	385.04	7.00	-35.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1CC1	REAL300020309809	1	45	-1.0	-42.84	385.10	7.01	-35.83
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOCC1CC1	REAL300020309810	0	52	-1.0	-41.84	434.79	9.77	-32.07
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOCC1CC1	REAL300020309810	1	52	-1.0	-41.81	434.83	9.76	-32.05
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCCOC	REAL300020309811	0	51	-1.0	-44.33	422.70	6.18	-38.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCCOC	REAL300020309811	1	51	-1.0	-44.33	422.75	6.19	-38.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCCOC	REAL300020309812	0	48	-1.0	-44.60	408.53	5.29	-39.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCCOC	REAL300020309812	1	48	-1.0	-44.65	408.59	5.30	-39.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020309813	0	53	-1.0	-44.19	427.92	7.06	-37.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CCOC2)CC1	REAL300020309813	1	53	-1.0	-44.15	427.98	7.09	-37.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020309814	0	51	-1.0	-41.19	412.44	11.49	-29.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020309814	1	51	-1.0	-41.20	412.49	11.51	-29.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020309815	0	48	-1.0	-43.37	401.07	11.01	-32.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C2=CC=CC=C2)CC1	REAL300020309815	1	48	-1.0	-43.41	401.01	10.98	-32.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020309816	0	44	-1.0	-40.56	401.50	9.61	-30.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020309816	1	44	-1.0	-40.53	401.56	9.63	-30.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020309817	0	41	-1.0	-42.13	379.62	8.87	-33.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C(F)=C1	REAL300020309817	1	41	-1.0	-42.12	379.67	8.90	-33.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020309818	0	46	-1.0	-41.30	363.16	6.18	-35.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020309818	1	46	-1.0	-41.29	363.22	6.19	-35.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2)C1	REAL300020309819	0	43	-1.0	-43.29	341.05	5.64	-37.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2)C1	REAL300020309819	1	43	-1.0	-43.32	341.10	5.66	-37.66
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020309820	0	50	-1.0	-42.57	395.71	8.27	-34.30
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCOC2)C1	REAL300020309820	1	50	-1.0	-42.53	395.73	8.26	-34.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020309821	0	45	-1.0	-40.64	373.62	6.21	-34.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020309821	1	45	-1.0	-40.67	373.68	6.23	-34.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020309822	0	42	-1.0	-42.95	355.31	5.62	-37.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020309822	1	42	-1.0	-42.95	355.25	5.59	-37.36
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020309823	0	49	-1.0	-41.78	404.11	8.46	-33.32
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C[C@H]1CCCO1	REAL300020309823	1	49	-1.0	-41.77	404.13	8.46	-33.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020309824	0	48	-1.0	-40.23	388.21	7.05	-33.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020309824	1	48	-1.0	-40.18	388.27	7.06	-33.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(C)C)C1	REAL300020309825	0	45	-1.0	-42.07	371.76	6.32	-35.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(C)C)C1	REAL300020309825	1	45	-1.0	-42.08	371.82	6.34	-35.74
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(C)C)C1	REAL300020309826	0	52	-1.0	-41.34	421.59	9.08	-32.26
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(C)C)C1	REAL300020309826	1	52	-1.0	-41.29	421.65	9.07	-32.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020309827	0	54	-1.0	-41.89	427.86	8.20	-33.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020309827	1	54	-1.0	-41.89	427.91	8.21	-33.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020309828	0	51	-1.0	-45.60	410.18	7.55	-38.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C(C)C)C(C)(C)C1	REAL300020309828	1	51	-1.0	-45.57	410.23	7.57	-38.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COC)C1	REAL300020309829	0	46	-1.0	-41.57	384.69	5.10	-36.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COC)C1	REAL300020309829	1	46	-1.0	-41.57	384.75	5.12	-36.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC)C1	REAL300020309830	0	43	-1.0	-43.65	363.86	4.34	-39.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC)C1	REAL300020309830	1	43	-1.0	-43.63	363.92	4.37	-39.26
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(COC)C1	REAL300020309831	0	50	-1.0	-43.13	401.36	6.46	-36.67
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(COC)C1	REAL300020309831	1	50	-1.0	-43.13	401.38	6.45	-36.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020309832	0	49	-1.0	-51.84	409.15	6.58	-45.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020309832	1	49	-1.0	-51.84	409.09	6.56	-45.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020309833	0	46	-1.0	-55.50	387.64	5.80	-49.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CN(C)N=C2)C(=O)C1	REAL300020309833	1	46	-1.0	-55.47	387.59	5.78	-49.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020309834	0	47	-1.0	-40.83	383.56	5.38	-35.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020309834	1	47	-1.0	-40.80	383.62	5.39	-35.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020309835	0	44	-1.0	-42.26	365.08	4.25	-38.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOC2)C1	REAL300020309835	1	44	-1.0	-42.28	365.13	4.28	-38.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020309836	0	55	-1.0	-40.98	452.98	7.28	-33.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020309836	1	55	-1.0	-40.97	453.04	7.30	-33.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020309837	0	52	-1.0	-42.86	431.47	6.50	-36.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCCOC)CC1	REAL300020309837	1	52	-1.0	-42.89	431.53	6.52	-36.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020309838	0	42	-1.0	-41.24	364.63	6.08	-35.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020309838	1	42	-1.0	-41.22	364.68	6.10	-35.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020309839	0	39	-1.0	-43.29	351.90	5.38	-37.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1	REAL300020309839	1	39	-1.0	-43.31	351.96	5.40	-37.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020309840	0	40	-1.0	-40.75	351.20	6.44	-34.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020309840	1	40	-1.0	-40.75	351.26	6.46	-34.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=CS1	REAL300020309841	0	37	-1.0	-41.95	343.27	5.68	-36.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=CS1	REAL300020309841	1	37	-1.0	-41.92	343.22	5.66	-36.26
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NC=CS1	REAL300020309842	0	44	-1.0	-42.16	381.24	8.52	-33.64
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NC=CS1	REAL300020309842	1	44	-1.0	-42.15	381.27	8.51	-33.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020309843	0	46	-1.0	-42.95	400.06	9.07	-33.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2Cl)C1	REAL300020309843	1	46	-1.0	-42.94	400.12	9.09	-33.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COCC)C1	REAL300020309844	0	48	-1.0	-40.71	390.75	7.27	-33.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COCC)C1	REAL300020309844	1	48	-1.0	-40.70	390.81	7.28	-33.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC)C1	REAL300020309845	0	45	-1.0	-42.89	377.64	6.62	-36.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC)C1	REAL300020309845	1	45	-1.0	-42.87	377.69	6.65	-36.22
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(COCC)C1	REAL300020309846	0	52	-1.0	-42.03	418.32	9.22	-32.81
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(COCC)C1	REAL300020309846	1	52	-1.0	-41.96	418.35	9.21	-32.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020309847	0	45	-1.0	-41.38	369.32	6.36	-35.02
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020309847	1	45	-1.0	-41.36	369.38	6.37	-34.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOC1	REAL300020309848	0	42	-1.0	-44.26	347.64	5.58	-38.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOC1	REAL300020309848	1	42	-1.0	-44.22	347.58	5.55	-38.67
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCOC1	REAL300020309849	0	49	-1.0	-43.25	392.26	8.26	-34.99
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCOC1	REAL300020309849	1	49	-1.0	-43.17	392.49	8.23	-34.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020309850	0	47	-1.0	-47.81	411.76	9.02	-38.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300020309850	1	47	-1.0	-47.78	411.70	9.00	-38.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020309851	0	51	-1.0	-41.91	417.60	10.82	-31.09
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020309851	1	51	-1.0	-41.95	417.66	10.84	-31.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020309852	0	48	-1.0	-45.23	390.74	10.16	-35.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2)C1	REAL300020309852	1	48	-1.0	-45.21	390.68	10.14	-35.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020309853	0	51	-1.0	-45.24	422.57	11.02	-34.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300020309853	1	51	-1.0	-45.19	422.62	11.04	-34.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCC	REAL300020309854	0	51	-1.0	-44.76	423.00	6.53	-38.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCC	REAL300020309854	1	51	-1.0	-44.76	423.06	6.55	-38.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCCOCC	REAL300020309855	0	48	-1.0	-44.68	408.90	5.64	-39.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCCOCC	REAL300020309855	1	48	-1.0	-44.69	408.95	5.66	-39.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020309856	0	46	-1.0	-43.59	395.38	7.30	-36.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020309856	1	46	-1.0	-43.62	395.44	7.32	-36.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020309857	0	43	-1.0	-45.90	373.87	6.52	-39.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CO2)C1	REAL300020309857	1	43	-1.0	-45.91	373.93	6.54	-39.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(CC)C=C2)C1	REAL300020309858	0	52	-1.0	-43.28	435.50	9.52	-33.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(CC)C=C2)C1	REAL300020309858	1	52	-1.0	-43.29	435.56	9.55	-33.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020309859	0	51	-1.0	-42.05	423.70	9.61	-32.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020309859	1	51	-1.0	-42.10	423.75	9.62	-32.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020309860	0	48	-1.0	-43.34	409.49	8.73	-34.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCOC1=CC=CC=C1	REAL300020309860	1	48	-1.0	-43.34	409.55	8.76	-34.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020309861	0	52	-1.0	-43.56	439.46	8.65	-34.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020309861	1	52	-1.0	-43.57	439.51	8.67	-34.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020309862	0	49	-1.0	-47.74	411.25	7.62	-40.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1OC	REAL300020309862	1	49	-1.0	-48.04	413.88	7.93	-40.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(CC)CC)CC1	REAL300020309863	0	53	-1.0	-49.24	421.91	7.16	-42.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(CC)CC)CC1	REAL300020309863	1	53	-1.0	-49.24	421.97	7.17	-42.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020309864	0	52	-1.0	-44.28	431.63	9.94	-34.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)CC1	REAL300020309864	1	52	-1.0	-44.31	431.69	9.95	-34.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(SC)C(OC)=C1	REAL300020309865	0	49	-1.0	-44.01	425.92	8.65	-35.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(SC)C(OC)=C1	REAL300020309865	1	49	-1.0	-44.01	425.98	8.68	-35.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020309866	0	42	-1.0	-42.66	363.51	7.71	-34.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020309866	1	42	-1.0	-42.67	363.57	7.73	-34.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)CC1	REAL300020309867	0	39	-1.0	-43.98	342.00	6.96	-37.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)CC1	REAL300020309867	1	39	-1.0	-43.97	341.94	6.94	-37.03
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020309868	0	46	-1.0	-44.53	390.24	9.65	-34.88
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C#N)CC1	REAL300020309868	1	46	-1.0	-44.46	390.29	9.63	-34.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020309869	0	46	-1.0	-44.87	385.65	6.80	-38.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020309869	1	46	-1.0	-44.89	385.71	6.82	-38.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020309870	0	43	-1.0	-46.59	363.64	6.20	-40.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)CCC2C1	REAL300020309870	1	43	-1.0	-46.57	363.69	6.24	-40.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020309871	0	43	-1.0	-47.29	368.10	2.79	-44.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020309871	1	43	-1.0	-47.23	368.16	2.81	-44.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020309872	0	40	-1.0	-47.55	350.42	2.18	-45.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020309872	1	40	-1.0	-47.51	350.37	2.15	-45.36
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020309873	0	47	-1.0	-48.86	387.90	4.93	-43.93
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C(N)=O)C1	REAL300020309873	1	47	-1.0	-48.87	387.99	4.93	-43.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020309874	0	54	-1.0	-42.84	441.28	11.51	-31.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=CC=C(C)C=C2)C1	REAL300020309874	1	54	-1.0	-42.86	441.34	11.54	-31.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020309875	0	53	-1.0	-45.39	422.87	8.89	-36.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1CCCC1	REAL300020309875	1	53	-1.0	-45.45	422.82	8.87	-36.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020309876	0	50	-1.0	-40.83	422.99	7.50	-33.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020309876	1	50	-1.0	-40.86	423.05	7.52	-33.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020309876	1	51	0.0	-68.74	428.95	9.80	-58.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020309877	0	47	-1.0	-42.42	404.35	6.63	-35.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=C2)CC1	REAL300020309877	1	47	-1.0	-42.39	404.41	6.66	-35.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300020309877	1	48	0.0	-67.26	403.02	9.10	-58.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020309878	0	45	-1.0	-40.63	368.21	6.71	-33.92
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020309878	1	45	-1.0	-40.62	368.27	6.72	-33.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C)C1	REAL300020309879	0	42	-1.0	-42.73	346.35	5.95	-36.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C)C1	REAL300020309879	1	42	-1.0	-42.68	346.29	5.93	-36.75
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020309880	0	49	-1.0	-42.32	387.88	8.62	-33.70
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(C)C1	REAL300020309880	1	49	-1.0	-42.32	387.92	8.62	-33.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NS(=O)(=O)CC)CC1	REAL300020309881	0	49	-1.0	-48.84	416.94	3.43	-45.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NS(=O)(=O)CC)CC1	REAL300020309881	1	49	-1.0	-48.83	416.99	3.46	-45.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020309882	0	47	-1.0	-39.76	378.81	8.54	-31.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020309882	1	47	-1.0	-39.80	378.87	8.56	-31.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)C1	REAL300020309883	0	44	-1.0	-42.50	360.79	7.92	-34.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)C1	REAL300020309883	1	44	-1.0	-42.51	360.73	7.89	-34.62
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC)C1	REAL300020309884	0	51	-1.0	-41.88	398.10	10.71	-31.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC)C1	REAL300020309884	1	51	-1.0	-41.90	398.15	10.70	-31.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020309885	0	49	-1.0	-45.13	411.69	7.18	-37.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020309885	1	49	-1.0	-45.12	411.75	7.19	-37.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020309886	0	46	-1.0	-47.90	394.47	6.59	-41.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CO2)CC1	REAL300020309886	1	46	-1.0	-47.94	394.52	6.62	-41.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020309887	0	37	-1.0	-42.30	338.22	5.67	-36.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020309887	1	37	-1.0	-42.29	338.28	5.68	-36.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(F)(F)F	REAL300020309888	0	34	-1.0	-42.97	311.01	5.47	-37.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(F)(F)F	REAL300020309888	1	34	-1.0	-43.01	311.07	5.49	-37.52
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(F)(F)F	REAL300020309889	0	41	-1.0	-40.77	355.53	8.66	-32.11
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(F)(F)F	REAL300020309889	1	41	-1.0	-40.79	355.56	8.64	-32.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020309890	0	57	-1.0	-44.21	451.94	8.77	-35.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020309890	1	57	-1.0	-44.21	452.00	8.79	-35.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020309891	0	54	-1.0	-45.22	430.43	7.98	-37.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)N(C)C(C)C)CC1	REAL300020309891	1	54	-1.0	-45.26	430.49	8.00	-37.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020309892	0	53	-1.0	-42.17	436.72	11.58	-30.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020309892	1	53	-1.0	-42.17	436.78	11.60	-30.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020309893	0	50	-1.0	-43.21	422.51	10.71	-32.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCC1=CC=CC=C1	REAL300020309893	1	50	-1.0	-43.18	422.57	10.73	-32.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020309894	0	41	-1.0	-41.61	383.95	9.40	-32.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC(Cl)=C1	REAL300020309894	1	41	-1.0	-41.57	384.01	9.43	-32.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C#N	REAL300020309895	0	41	-1.0	-46.64	352.62	7.48	-39.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C#N	REAL300020309895	1	41	-1.0	-46.64	352.68	7.49	-39.15
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020309896	0	45	-1.0	-47.41	384.48	9.53	-37.88
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C#N	REAL300020309896	1	45	-1.0	-47.31	384.50	9.53	-37.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C1=CC=CC=C1	REAL300020309897	0	51	-1.0	-44.55	429.99	11.67	-32.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C1=CC=CC=C1	REAL300020309897	1	51	-1.0	-44.55	429.94	11.65	-32.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020309898	0	54	0.0	-60.87	420.34	9.71	-51.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020309898	1	54	0.0	-60.89	420.39	9.72	-51.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020309899	0	51	0.0	-61.29	401.53	8.98	-52.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC([NH+]2CCCC2)C1	REAL300020309899	1	51	0.0	-61.30	401.58	9.01	-52.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020309900	0	47	-1.0	-40.35	404.42	9.98	-30.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020309900	1	47	-1.0	-40.36	404.48	10.00	-30.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020309901	0	44	-1.0	-42.82	395.48	9.73	-33.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC2=CC=CC=C12	REAL300020309901	1	44	-1.0	-42.83	395.42	9.71	-33.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020309902	0	55	-1.0	-49.22	439.33	9.03	-40.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300020309902	1	55	-1.0	-49.25	439.39	9.05	-40.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020309903	0	48	-1.0	-43.96	396.98	5.00	-38.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020309903	1	48	-1.0	-43.94	397.04	5.01	-38.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020309904	0	45	-1.0	-46.62	376.28	4.02	-42.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(N)=O)C1	REAL300020309904	1	45	-1.0	-46.60	376.34	4.05	-42.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CCOC)C(CCC)C1	REAL300020309905	0	57	0.0	-62.92	443.67	8.26	-54.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CCOC)C(CCC)C1	REAL300020309905	1	57	0.0	-61.74	433.64	8.56	-53.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)C(CCC)C1	REAL300020309905	1	56	-1.0	-44.48	440.76	5.92	-38.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020309906	0	47	-1.0	-43.83	402.09	6.61	-37.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020309906	1	47	-1.0	-43.87	402.14	6.63	-37.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020309907	0	44	-1.0	-45.21	374.51	5.97	-39.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NN(C)C(=O)C=C2C1	REAL300020309907	1	44	-1.0	-45.23	374.45	5.95	-39.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020309908	0	50	-1.0	-41.02	398.54	6.25	-34.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020309908	1	50	-1.0	-41.06	398.59	6.27	-34.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020309909	0	47	-1.0	-43.60	377.28	5.47	-38.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCOCC2)C1	REAL300020309909	1	47	-1.0	-43.60	377.33	5.49	-38.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020309910	0	53	-1.0	-40.51	423.61	6.88	-33.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020309910	1	53	-1.0	-40.54	423.67	6.89	-33.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020309911	0	50	-1.0	-43.17	398.47	6.21	-36.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOCC2)C1	REAL300020309911	1	50	-1.0	-43.20	398.53	6.24	-36.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020309912	0	53	-1.0	-41.06	423.61	7.35	-33.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020309912	1	53	-1.0	-41.03	423.67	7.37	-33.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020309913	0	50	-1.0	-42.60	402.03	6.56	-36.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCOC2)C1	REAL300020309913	1	50	-1.0	-42.58	402.09	6.58	-36.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020309914	0	50	-1.0	-40.78	407.69	5.78	-35.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020309914	1	50	-1.0	-40.81	407.74	5.79	-35.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020309915	0	47	-1.0	-42.35	385.45	4.96	-37.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCOC2)C1	REAL300020309915	1	47	-1.0	-42.34	385.51	4.98	-37.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020309916	0	52	-1.0	-45.11	433.27	7.72	-37.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OCC(C)C)CC1	REAL300020309916	1	52	-1.0	-45.12	433.33	7.74	-37.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020309917	0	55	-1.0	-39.39	439.12	9.39	-30.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020309917	1	55	-1.0	-39.41	439.17	9.41	-30.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020309918	0	52	-1.0	-42.71	413.61	8.85	-33.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCC2)CC1	REAL300020309918	1	52	-1.0	-42.73	413.67	8.87	-33.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020309919	0	52	-1.0	-43.25	420.84	9.31	-33.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020309919	1	52	-1.0	-43.27	420.90	9.32	-33.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020309920	0	49	-1.0	-45.82	400.37	8.58	-37.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)C1	REAL300020309920	1	49	-1.0	-45.83	400.43	8.61	-37.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020309921	0	53	-1.0	-39.92	421.81	10.07	-29.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020309921	1	53	-1.0	-39.91	421.87	10.09	-29.82
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCCCC1	REAL300020309922	0	50	-1.0	-41.60	400.30	9.30	-32.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCCCC1	REAL300020309922	1	50	-1.0	-41.53	400.35	9.33	-32.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020309923	0	51	-1.0	-40.79	428.37	9.11	-31.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020309923	1	51	-1.0	-40.79	428.43	9.12	-31.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020309924	0	48	-1.0	-43.09	406.65	8.37	-34.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(C)=C1	REAL300020309924	1	48	-1.0	-43.07	406.59	8.35	-34.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020309925	0	51	-1.0	-41.64	417.57	10.47	-31.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020309925	1	51	-1.0	-41.61	417.63	10.48	-31.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020309926	0	48	-1.0	-44.98	382.31	9.81	-35.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2C)C1	REAL300020309926	1	48	-1.0	-44.99	382.26	9.79	-35.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020309927	0	51	-1.0	-45.12	426.59	10.93	-34.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300020309927	1	51	-1.0	-45.16	426.64	10.95	-34.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020309928	0	39	-1.0	-46.37	332.90	3.41	-42.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020309928	1	39	-1.0	-46.38	332.96	3.43	-42.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C1	REAL300020309929	0	36	-1.0	-49.52	311.46	2.65	-46.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C1	REAL300020309929	1	36	-1.0	-49.49	311.40	2.62	-46.87
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020309930	0	43	-1.0	-48.73	357.62	4.70	-44.03
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCNC(=O)C1	REAL300020309930	1	43	-1.0	-48.69	357.67	4.69	-44.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020309931	0	53	-1.0	-51.41	436.11	4.33	-47.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC(C)C)CC1	REAL300020309931	1	53	-1.0	-51.39	436.17	4.35	-47.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020309932	0	54	-1.0	-47.80	443.27	5.05	-42.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020309932	1	54	-1.0	-47.74	443.33	5.07	-42.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020309933	0	51	-1.0	-49.03	425.49	4.39	-44.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NC2CC2)CC1	REAL300020309933	1	51	-1.0	-49.05	425.54	4.42	-44.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020309934	0	51	-1.0	-45.37	428.71	7.47	-37.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020309934	1	51	-1.0	-45.39	428.77	7.49	-37.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020309935	0	48	-1.0	-46.26	413.47	6.59	-39.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)NC)C=C1	REAL300020309935	1	48	-1.0	-46.27	413.52	6.61	-39.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NCC)CC1	REAL300020309936	0	50	-1.0	-46.00	414.20	6.05	-39.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NCC)CC1	REAL300020309936	1	50	-1.0	-45.96	414.26	6.07	-39.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)NCC)CC1	REAL300020309937	0	47	-1.0	-48.63	392.82	5.24	-43.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)NCC)CC1	REAL300020309937	1	47	-1.0	-48.61	392.87	5.27	-43.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020309938	0	48	-1.0	-44.65	401.13	5.61	-39.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020309938	1	48	-1.0	-44.60	401.19	5.62	-38.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020309939	0	45	-1.0	-45.80	379.62	4.82	-40.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)CC1	REAL300020309939	1	45	-1.0	-45.77	379.67	4.85	-40.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C(=O)NC2CC2)CC1	REAL300020309940	0	54	-1.0	-51.09	439.93	4.75	-46.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C(=O)NC2CC2)CC1	REAL300020309940	1	54	-1.0	-51.07	439.98	4.77	-46.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020309941	0	47	-1.0	-41.89	398.01	8.07	-33.82
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020309941	1	47	-1.0	-41.87	398.07	8.09	-33.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020309942	0	44	-1.0	-43.33	376.50	7.28	-36.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)CC1	REAL300020309942	1	44	-1.0	-43.37	376.56	7.30	-36.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020309943	0	46	-1.0	-55.34	401.68	7.14	-48.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(=O)C2=CC=CC=C2N1	REAL300020309943	1	46	-1.0	-55.33	401.62	7.11	-48.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020309944	0	48	-1.0	-41.61	410.20	8.76	-32.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020309944	1	48	-1.0	-41.56	410.25	8.78	-32.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020309945	0	45	-1.0	-45.97	382.00	7.74	-38.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1	REAL300020309945	1	45	-1.0	-45.94	382.06	7.77	-38.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OCC)C(OC)=C1	REAL300020309946	0	52	-1.0	-44.60	437.61	8.42	-36.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OCC)C(OC)=C1	REAL300020309946	1	52	-1.0	-44.67	437.67	8.45	-36.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OCC)C=C1	REAL300020309947	0	51	-1.0	-41.00	423.61	9.41	-31.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OCC)C=C1	REAL300020309947	1	51	-1.0	-40.99	423.66	9.43	-31.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OCC)C=C1	REAL300020309948	0	48	-1.0	-42.48	408.42	8.56	-33.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OCC)C=C1	REAL300020309948	1	48	-1.0	-42.51	408.37	8.53	-33.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020309949	0	48	-1.0	-41.89	408.51	8.45	-33.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020309949	1	48	-1.0	-41.87	408.56	8.47	-33.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020309950	0	45	-1.0	-43.57	387.06	7.71	-35.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1OC	REAL300020309950	1	45	-1.0	-43.53	387.00	7.68	-35.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020309951	0	50	-1.0	-40.30	415.15	10.63	-29.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020309951	1	50	-1.0	-40.32	415.20	10.65	-29.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020309952	0	47	-1.0	-42.11	399.97	9.77	-32.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(CC)C=C1	REAL300020309952	1	47	-1.0	-42.09	399.91	9.75	-32.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(CC)OC2=CC=CC=C21	REAL300020309953	0	50	-1.0	-44.21	421.21	10.04	-34.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(CC)OC2=CC=CC=C21	REAL300020309953	1	50	-1.0	-44.21	421.15	10.01	-34.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N(CC)CC)C=C1	REAL300020309954	0	55	-1.0	-43.08	452.14	10.61	-32.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N(CC)CC)C=C1	REAL300020309954	1	55	-1.0	-43.06	452.19	10.64	-32.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020309955	0	48	-1.0	-41.31	409.73	9.00	-32.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020309955	1	48	-1.0	-41.31	409.79	9.01	-32.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020309956	0	45	-1.0	-42.16	391.21	8.29	-33.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(F)C=C1	REAL300020309956	1	45	-1.0	-42.16	391.27	8.31	-33.85
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020309957	0	45	-1.0	-44.21	404.44	8.53	-35.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC(Cl)=C1	REAL300020309957	1	45	-1.0	-44.21	404.51	8.55	-35.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020309958	0	45	-1.0	-44.65	400.61	8.58	-36.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1Cl	REAL300020309958	1	45	-1.0	-44.59	400.66	8.59	-36.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020309959	0	53	-1.0	-41.65	435.40	8.82	-32.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(N2CCCC2)C=C1	REAL300020309959	1	53	-1.0	-41.68	435.46	8.85	-32.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020309960	0	48	-1.0	-42.62	416.43	8.83	-33.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020309960	1	48	-1.0	-42.55	416.49	8.84	-33.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020309961	0	45	-1.0	-45.11	388.23	7.82	-37.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1F	REAL300020309961	1	45	-1.0	-45.16	388.29	7.84	-37.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020309962	0	51	-1.0	-40.99	425.61	9.66	-31.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020309962	1	51	-1.0	-41.01	425.67	9.68	-31.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020309963	0	48	-1.0	-43.62	407.87	8.76	-34.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=CC=C1C	REAL300020309963	1	48	-1.0	-43.57	407.93	8.78	-34.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020309964	0	46	-1.0	-45.71	394.62	3.79	-41.92
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020309964	1	46	-1.0	-45.71	394.68	3.81	-41.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020309965	0	43	-1.0	-46.91	376.93	3.10	-43.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)CC1	REAL300020309965	1	43	-1.0	-46.97	376.98	3.12	-43.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020309966	0	52	-1.0	-43.74	432.14	6.78	-36.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020309966	1	52	-1.0	-43.71	432.20	6.79	-36.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020309967	0	49	-1.0	-46.15	410.64	5.99	-40.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=N2)CC1	REAL300020309967	1	49	-1.0	-46.15	410.70	6.02	-40.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020309968	0	53	-1.0	-40.78	429.53	8.89	-31.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020309968	1	53	-1.0	-40.77	429.58	8.90	-31.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020309969	0	50	-1.0	-42.71	411.75	8.23	-34.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)CC1	REAL300020309969	1	50	-1.0	-42.72	411.81	8.25	-34.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020309970	0	50	-1.0	-42.80	417.88	6.76	-36.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020309970	1	50	-1.0	-42.81	417.93	6.78	-36.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020309971	0	47	-1.0	-44.75	396.38	5.99	-38.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CO2)CC1	REAL300020309971	1	47	-1.0	-44.76	396.43	6.00	-38.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020309972	0	45	-1.0	-40.05	371.65	6.53	-33.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020309972	1	45	-1.0	-40.10	371.71	6.54	-33.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020309973	0	42	-1.0	-42.99	349.92	5.94	-37.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020309973	1	42	-1.0	-42.99	349.86	5.93	-37.06
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020309974	0	49	-1.0	-42.03	392.20	8.50	-33.53
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020309974	1	49	-1.0	-41.96	392.23	8.50	-33.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020309975	0	54	0.0	-67.45	435.57	10.99	-56.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300020309975	1	54	0.0	-67.45	435.63	11.01	-56.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020309976	0	50	-1.0	-41.82	436.40	8.75	-33.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020309976	1	50	-1.0	-41.84	436.46	8.77	-33.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020309977	0	47	-1.0	-43.54	414.81	8.00	-35.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C(=O)OC)=C(C)O1	REAL300020309977	1	47	-1.0	-43.52	414.86	8.03	-35.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020309978	0	46	-1.0	-41.38	383.74	5.53	-35.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020309978	1	46	-1.0	-41.35	383.80	5.54	-35.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020309979	0	43	-1.0	-43.21	366.13	4.84	-38.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)(F)F)CC1	REAL300020309979	1	43	-1.0	-43.34	366.19	4.86	-38.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)CC1	REAL300020309980	0	50	-1.0	-41.98	407.90	4.69	-37.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)CC1	REAL300020309980	1	50	-1.0	-42.03	407.96	4.71	-37.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020309980	1	51	0.0	-65.11	408.74	7.03	-58.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC)CC1	REAL300020309981	0	47	-1.0	-44.11	389.85	4.03	-40.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC)CC1	REAL300020309981	1	47	-1.0	-44.11	389.91	4.05	-40.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC)CC1	REAL300020309981	1	48	0.0	-63.34	386.84	6.42	-56.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020309982	0	47	-1.0	-45.22	397.21	8.23	-36.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020309982	1	47	-1.0	-45.24	397.27	8.25	-36.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020309983	0	44	-1.0	-46.18	376.55	7.26	-38.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(=O)OC)C1	REAL300020309983	1	44	-1.0	-46.15	376.60	7.28	-38.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC	REAL300020309984	0	44	-1.0	-42.17	367.52	6.30	-35.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC	REAL300020309984	1	44	-1.0	-42.19	367.58	6.32	-35.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC	REAL300020309985	0	41	-1.0	-42.71	353.42	5.44	-37.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC	REAL300020309985	1	41	-1.0	-42.68	353.36	5.41	-37.27
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOCC	REAL300020309986	0	48	-1.0	-41.85	403.23	8.19	-33.66
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOCC	REAL300020309986	1	48	-1.0	-41.78	403.27	8.18	-33.60
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020309987	0	51	-1.0	-45.93	420.21	5.53	-40.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020309987	1	51	-1.0	-45.95	420.27	5.55	-40.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020309988	0	48	-1.0	-47.64	398.71	4.75	-42.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(N)=O)CC1	REAL300020309988	1	48	-1.0	-47.64	398.76	4.77	-42.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020309989	0	56	-1.0	-41.82	450.03	6.43	-35.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020309989	1	56	-1.0	-41.78	450.08	6.44	-35.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020309989	1	57	0.0	-65.31	450.87	8.74	-56.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020309990	0	53	-1.0	-44.19	431.98	5.75	-38.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOC(C)C)CC1	REAL300020309990	1	53	-1.0	-44.12	432.04	5.78	-38.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOC(C)C)CC1	REAL300020309990	1	54	0.0	-63.50	428.97	8.14	-55.36
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020309991	0	49	-1.0	-40.31	423.19	4.52	-35.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020309991	1	49	-1.0	-40.30	423.25	4.53	-35.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020309992	0	46	-1.0	-41.88	398.99	4.09	-37.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(CCOC)=NO1	REAL300020309992	1	46	-1.0	-41.88	399.05	4.11	-37.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020309993	0	51	-1.0	-41.08	412.95	7.69	-33.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020309993	1	51	-1.0	-41.11	413.01	7.70	-33.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1CCOCC1	REAL300020309994	0	48	-1.0	-42.65	391.44	6.92	-35.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1CCOCC1	REAL300020309994	1	48	-1.0	-42.63	391.50	6.94	-35.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020309995	0	49	-1.0	-40.69	383.69	7.57	-33.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020309995	1	49	-1.0	-40.68	383.74	7.58	-33.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020309996	0	46	-1.0	-42.00	373.20	6.82	-35.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCCC2)C1	REAL300020309996	1	46	-1.0	-42.04	373.26	6.85	-35.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020309997	0	55	0.0	-67.06	429.75	7.88	-59.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020309997	1	55	0.0	-67.14	429.81	7.90	-59.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020309998	0	52	0.0	-64.93	399.45	6.96	-57.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOCC2)CC1	REAL300020309998	1	52	0.0	-64.91	399.51	6.97	-57.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020309999	0	47	-1.0	-44.40	413.01	8.21	-36.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)N=C1	REAL300020309999	1	47	-1.0	-44.42	413.07	8.24	-36.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020310000	0	52	-1.0	-41.53	427.89	9.59	-31.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020310000	1	52	-1.0	-41.60	427.95	9.61	-31.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020310001	0	49	-1.0	-44.80	393.16	8.64	-36.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2OC)C1	REAL300020310001	1	49	-1.0	-44.80	393.21	8.67	-36.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020310002	0	49	-1.0	-42.29	418.34	6.94	-35.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020310002	1	49	-1.0	-42.29	418.39	6.95	-35.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020310003	0	46	-1.0	-43.39	400.55	6.28	-37.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CS2)CC1	REAL300020310003	1	46	-1.0	-43.37	400.61	6.30	-37.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020310004	0	58	0.0	-70.66	447.50	8.94	-61.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020310005	0	55	0.0	-70.37	425.47	8.25	-62.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCOCC2)CC1	REAL300020310005	1	55	0.0	-70.38	425.53	8.27	-62.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020310006	0	62	0.0	-69.19	475.71	11.46	-57.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020310006	1	62	0.0	-68.94	479.57	11.60	-57.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020310006	1	62	0.0	-69.21	475.77	11.47	-57.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020310006	1	62	0.0	-68.98	479.63	11.61	-57.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020310007	0	59	0.0	-69.45	454.01	10.85	-58.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020310007	1	59	0.0	-68.87	453.72	10.89	-57.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@@H+](C)CCCC)CC1	REAL300020310007	1	59	0.0	-69.42	454.06	10.86	-58.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[N@H+](C)CCCC)CC1	REAL300020310007	1	59	0.0	-68.83	453.77	10.90	-57.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020310008	0	60	0.0	-68.99	444.47	10.90	-58.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C[NH+]2CCCCCC2)CC1	REAL300020310008	1	60	0.0	-68.96	444.53	10.93	-58.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020310009	0	41	-1.0	-44.42	379.80	8.94	-35.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(Cl)C=CC=C1Cl	REAL300020310009	1	41	-1.0	-44.41	379.86	8.97	-35.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020310010	0	49	-1.0	-49.24	419.73	3.44	-45.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CNS(C)(=O)=O)C1	REAL300020310010	1	49	-1.0	-49.26	419.79	3.46	-45.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020310011	0	51	0.0	-67.44	426.07	10.07	-57.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CC=CS2)CC1	REAL300020310011	1	51	0.0	-67.46	426.13	10.09	-57.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020310012	0	51	-1.0	-46.23	427.44	8.37	-37.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(C)=CC(C)=N2)CC1	REAL300020310012	1	51	-1.0	-46.30	427.49	8.39	-37.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020310013	0	51	-1.0	-41.31	412.12	10.67	-30.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020310013	1	51	-1.0	-41.31	412.17	10.68	-30.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020310014	0	48	-1.0	-43.18	385.07	9.97	-33.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=CC=C2)C1	REAL300020310014	1	48	-1.0	-43.24	385.12	10.00	-33.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020310015	0	43	-1.0	-54.30	375.97	3.77	-50.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020310015	1	43	-1.0	-54.33	376.02	3.78	-50.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020310016	0	40	-1.0	-54.21	361.74	2.89	-51.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(C)(=O)=O	REAL300020310016	1	40	-1.0	-54.24	361.80	2.92	-51.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020310017	0	46	-1.0	-42.78	409.34	8.60	-34.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(Cl)C=C2)C1	REAL300020310017	1	46	-1.0	-42.84	409.40	8.63	-34.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020310018	0	47	-1.0	-43.96	406.48	8.65	-35.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2Cl)CC1	REAL300020310018	1	47	-1.0	-43.96	406.54	8.67	-35.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020310019	0	53	-1.0	-42.30	430.88	9.48	-32.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2C)CC1	REAL300020310019	1	53	-1.0	-42.28	430.94	9.51	-32.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C2(CCCCC2)C1	REAL300020310020	0	55	-1.0	-48.97	417.63	8.84	-40.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C2(CCCCC2)C1	REAL300020310020	1	55	-1.0	-48.94	417.68	8.86	-40.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020310021	0	46	-1.0	-41.94	401.76	8.65	-33.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020310021	1	46	-1.0	-41.94	401.82	8.66	-33.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020310022	0	43	-1.0	-42.75	380.25	7.86	-34.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=NN1CC(F)F	REAL300020310022	1	43	-1.0	-42.82	380.30	7.89	-34.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020310023	0	53	-1.0	-42.49	427.75	10.03	-32.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)C2=CC=CC=C2)CC1	REAL300020310023	1	53	-1.0	-42.54	427.80	10.05	-32.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020310024	0	50	-1.0	-43.48	405.99	6.31	-37.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020310024	1	50	-1.0	-43.50	406.05	6.32	-37.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020310025	0	47	-1.0	-45.90	384.33	5.76	-40.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCO2)C1	REAL300020310025	1	47	-1.0	-45.92	384.38	5.78	-40.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1	REAL300020310026	0	44	-1.0	-41.10	354.79	7.93	-33.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1	REAL300020310026	1	44	-1.0	-41.13	354.85	7.94	-33.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)C1	REAL300020310027	0	41	-1.0	-42.73	342.53	7.31	-35.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)C1	REAL300020310027	1	41	-1.0	-42.74	342.47	7.29	-35.45
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)C1	REAL300020310028	0	48	-1.0	-41.56	386.76	9.92	-31.64
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)C1	REAL300020310028	1	48	-1.0	-41.55	386.79	9.91	-31.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020310029	0	45	-1.0	-39.98	371.76	8.29	-31.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020310029	1	45	-1.0	-40.01	371.81	8.30	-31.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC2)C1	REAL300020310030	0	42	-1.0	-44.67	338.10	7.94	-36.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC2)C1	REAL300020310030	1	42	-1.0	-44.68	338.04	7.91	-36.77
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020310031	0	49	-1.0	-42.13	393.41	10.57	-31.56
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCC2)C1	REAL300020310031	1	49	-1.0	-42.11	393.45	10.55	-31.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020310032	0	49	-1.0	-44.97	414.16	10.73	-34.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300020310032	1	49	-1.0	-44.98	414.22	10.76	-34.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020310033	0	51	-1.0	-43.74	427.43	9.35	-34.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020310033	1	51	-1.0	-43.74	427.49	9.36	-34.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020310034	0	48	-1.0	-44.04	413.27	8.46	-35.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOCC1=CC=CC=C1	REAL300020310034	1	48	-1.0	-44.03	413.33	8.48	-35.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020310035	0	41	-1.0	-42.01	375.26	9.09	-32.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(Cl)=C1Cl	REAL300020310035	1	41	-1.0	-42.00	375.32	9.12	-32.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020310036	0	52	-1.0	-42.52	421.89	7.73	-34.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020310036	1	52	-1.0	-42.51	421.94	7.74	-34.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020310037	0	49	-1.0	-45.10	404.08	7.08	-38.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2)CC1	REAL300020310037	1	49	-1.0	-45.11	404.14	7.10	-38.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020310038	0	52	-1.0	-47.08	425.99	6.87	-40.21
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020310038	1	52	-1.0	-47.08	426.04	6.89	-40.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020310039	0	49	-1.0	-49.28	407.65	5.98	-43.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=NC(C)=NO2)CC1	REAL300020310039	1	49	-1.0	-49.31	407.71	6.00	-43.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020310040	0	39	-1.0	-43.59	343.73	7.10	-36.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020310040	1	39	-1.0	-43.61	343.79	7.12	-36.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C#N)C1	REAL300020310041	0	36	-1.0	-47.81	316.64	6.43	-41.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C#N)C1	REAL300020310041	1	36	-1.0	-47.78	316.55	6.41	-41.37
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020310042	0	43	-1.0	-45.40	372.25	9.07	-36.33
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(C#N)C1	REAL300020310042	1	43	-1.0	-45.41	372.25	9.07	-36.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020310043	0	51	-1.0	-40.61	414.16	8.29	-32.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020310043	1	51	-1.0	-40.61	414.21	8.31	-32.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020310044	0	48	-1.0	-41.67	392.66	7.51	-34.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC(C)C)C1	REAL300020310044	1	48	-1.0	-41.68	392.72	7.53	-34.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020310045	0	56	-1.0	-39.71	439.49	10.88	-28.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020310045	1	56	-1.0	-39.71	439.55	10.89	-28.82
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020310046	0	53	-1.0	-42.47	418.44	10.10	-32.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)C)CC1	REAL300020310046	1	53	-1.0	-42.49	418.50	10.12	-32.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020310047	0	53	-1.0	-39.58	417.48	9.84	-29.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020310047	1	53	-1.0	-39.54	417.54	9.85	-29.69
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020310048	0	50	-1.0	-42.42	396.00	9.24	-33.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)C)CC1	REAL300020310048	1	50	-1.0	-42.44	396.05	9.26	-33.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020310049	0	51	-1.0	-39.50	409.38	7.86	-31.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020310049	1	51	-1.0	-39.52	409.44	7.88	-31.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020310050	0	48	-1.0	-42.00	392.88	7.46	-34.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)C)CC1	REAL300020310050	1	48	-1.0	-41.99	392.94	7.48	-34.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020310051	0	41	-1.0	-41.00	360.21	7.13	-33.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020310051	1	41	-1.0	-41.03	360.27	7.15	-33.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=COC=C1	REAL300020310052	0	38	-1.0	-43.76	331.95	6.41	-37.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=COC=C1	REAL300020310052	1	38	-1.0	-43.77	331.90	6.39	-37.38
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=COC=C1	REAL300020310053	0	45	-1.0	-43.01	376.45	9.06	-33.95
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=COC=C1	REAL300020310053	1	45	-1.0	-43.00	376.48	9.05	-33.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020310054	0	53	0.0	-60.92	409.13	8.66	-52.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020310054	1	53	0.0	-60.97	409.19	8.68	-52.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020310055	0	50	0.0	-58.77	383.20	7.96	-50.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)C)CC1	REAL300020310055	1	50	0.0	-58.84	383.25	7.97	-50.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020310056	0	49	-1.0	-43.83	414.81	6.79	-37.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020310056	1	49	-1.0	-43.87	414.87	6.81	-37.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020310057	0	46	-1.0	-46.94	390.42	5.92	-41.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NC(C)=NO2)C1	REAL300020310057	1	46	-1.0	-46.93	390.48	5.95	-40.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020310058	0	49	-1.0	-42.60	414.81	6.80	-35.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020310058	1	49	-1.0	-42.60	414.87	6.81	-35.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020310059	0	46	-1.0	-43.63	393.31	6.00	-37.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=NO2)CC1	REAL300020310059	1	46	-1.0	-43.66	393.37	6.03	-37.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020310060	0	49	-1.0	-41.96	416.56	5.80	-36.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020310060	1	49	-1.0	-42.01	416.62	5.81	-36.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020310061	0	46	-1.0	-44.31	398.79	5.15	-39.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CSC=N2)CC1	REAL300020310061	1	46	-1.0	-44.33	398.85	5.18	-39.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020310062	0	47	-1.0	-42.45	406.66	9.95	-32.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020310062	1	47	-1.0	-42.45	406.72	9.96	-32.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020310063	0	44	-1.0	-44.38	385.08	9.18	-35.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1F	REAL300020310063	1	44	-1.0	-44.42	385.15	9.21	-35.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020310064	0	46	-1.0	-40.08	365.02	8.35	-31.73
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020310064	1	46	-1.0	-40.06	365.08	8.37	-31.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)C	REAL300020310065	0	43	-1.0	-41.60	352.36	7.64	-33.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)C	REAL300020310065	1	43	-1.0	-41.61	352.30	7.62	-33.99
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020310066	0	50	-1.0	-42.18	396.42	9.42	-32.76
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)(C)C	REAL300020310066	1	50	-1.0	-42.10	396.45	9.43	-32.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020310067	0	48	-1.0	-41.77	388.46	7.43	-34.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020310067	1	48	-1.0	-41.75	388.52	7.44	-34.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCO1	REAL300020310068	0	45	-1.0	-43.82	369.11	6.60	-37.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCO1	REAL300020310068	1	45	-1.0	-43.84	369.17	6.63	-37.21
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCCO1	REAL300020310069	0	52	-1.0	-42.56	418.88	9.44	-33.12
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCCO1	REAL300020310069	1	52	-1.0	-42.53	418.91	9.43	-33.10
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020310070	0	45	-1.0	-41.48	385.46	5.28	-36.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020310070	1	45	-1.0	-41.50	385.52	5.29	-36.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020310071	0	42	-1.0	-42.98	363.79	4.50	-38.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)F)CC1	REAL300020310071	1	42	-1.0	-42.96	363.84	4.53	-38.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020310072	0	48	-1.0	-48.53	413.38	5.81	-42.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020310072	1	48	-1.0	-48.52	413.44	5.83	-42.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020310073	0	45	-1.0	-49.76	388.16	5.11	-44.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C(N)=O)=C1	REAL300020310073	1	45	-1.0	-49.75	388.09	5.10	-44.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCCCCCC	REAL300020310074	0	58	-1.0	-40.27	462.81	11.68	-28.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCCCCCC	REAL300020310074	1	58	-1.0	-40.30	462.86	11.70	-28.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCCCCC	REAL300020310075	0	55	-1.0	-41.46	448.60	10.81	-30.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCCCCC	REAL300020310075	1	55	-1.0	-41.41	448.66	10.83	-30.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020310076	0	44	-1.0	-41.27	367.43	7.83	-33.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020310076	1	44	-1.0	-41.26	367.49	7.85	-33.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020310077	0	41	-1.0	-43.69	352.09	7.22	-36.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020310077	1	41	-1.0	-43.70	352.04	7.20	-36.50
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020310078	0	48	-1.0	-42.69	398.26	9.87	-32.82
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=C(C)OC=C1	REAL300020310078	1	48	-1.0	-42.70	398.32	9.87	-32.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020310079	0	54	-1.0	-39.64	427.13	8.61	-31.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020310079	1	54	-1.0	-39.67	427.19	8.62	-31.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020310080	0	51	-1.0	-42.46	407.76	7.89	-34.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020310080	1	51	-1.0	-42.45	407.82	7.92	-34.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020310081	0	56	-1.0	-40.17	448.46	11.51	-28.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020310081	1	56	-1.0	-40.19	448.52	11.53	-28.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020310082	0	53	-1.0	-41.99	433.23	10.63	-31.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300020310082	1	53	-1.0	-41.96	433.28	10.65	-31.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020310083	0	44	-1.0	-40.25	378.67	9.26	-30.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020310083	1	44	-1.0	-40.24	378.72	9.27	-30.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020310084	0	41	-1.0	-41.44	363.49	8.40	-33.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1	REAL300020310084	1	41	-1.0	-41.44	363.43	8.37	-33.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020310085	0	47	-1.0	-40.29	393.26	9.93	-30.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020310085	1	47	-1.0	-40.28	393.32	9.94	-30.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020310086	0	44	-1.0	-43.71	368.30	9.02	-34.69
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020310086	1	44	-1.0	-43.67	368.24	8.99	-34.68
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020310087	0	51	-1.0	-41.94	414.46	11.74	-30.20
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=C1C	REAL300020310087	1	51	-1.0	-41.90	414.50	11.74	-30.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020310088	0	45	-1.0	-44.90	396.27	7.89	-37.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC(F)F)C=C1	REAL300020310088	1	45	-1.0	-44.94	396.32	7.91	-37.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020310089	0	53	-1.0	-39.57	439.08	10.97	-28.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020310089	1	53	-1.0	-39.56	439.14	10.98	-28.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020310090	0	50	-1.0	-41.98	417.30	10.26	-31.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(C)C)C=C1	REAL300020310090	1	50	-1.0	-42.02	417.25	10.24	-31.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020310091	0	53	-1.0	-42.24	434.28	8.87	-33.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C)=C2)C(C)C1	REAL300020310091	1	53	-1.0	-42.24	434.34	8.90	-33.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020310092	0	44	-1.0	-39.84	388.98	9.71	-30.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020310092	1	44	-1.0	-39.89	389.04	9.72	-30.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020310093	0	41	-1.0	-40.95	373.80	8.85	-32.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(Cl)C=C1	REAL300020310093	1	41	-1.0	-40.93	373.75	8.83	-32.10
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020310094	0	52	-1.0	-42.49	427.49	9.73	-32.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020310094	1	52	-1.0	-42.49	427.55	9.74	-32.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020310095	0	49	-1.0	-46.56	405.63	9.09	-37.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=CC=C1	REAL300020310095	1	49	-1.0	-46.54	405.69	9.11	-37.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020310096	0	50	0.0	-62.41	396.25	8.64	-53.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020310096	1	50	0.0	-63.93	388.97	8.69	-55.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC)C(C)C1	REAL300020310096	1	49	-1.0	-40.08	382.42	5.85	-34.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC)C(C)C1	REAL300020310096	1	49	-1.0	-40.13	382.47	5.86	-34.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020310097	0	47	0.0	-60.57	371.29	7.70	-52.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020310097	1	47	0.0	-59.73	363.02	7.94	-51.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020310097	1	47	0.0	-60.54	371.23	7.68	-52.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020310097	1	47	0.0	-59.69	362.94	7.92	-51.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC)C(C)C1	REAL300020310097	1	46	-1.0	-42.64	369.22	5.58	-37.06
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](CC)C(C)C1	REAL300020310098	0	54	0.0	-67.43	423.14	10.57	-56.86
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](CC)C(C)C1	REAL300020310098	1	54	0.0	-68.08	420.43	10.57	-57.51
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(CC)C(C)C1	REAL300020310098	1	53	-1.0	-41.28	414.33	7.93	-33.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020310099	0	52	-1.0	-49.29	419.50	8.12	-41.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020310099	1	52	-1.0	-49.35	419.55	8.14	-41.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020310100	0	49	-1.0	-52.80	397.66	7.52	-45.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)C1	REAL300020310100	1	49	-1.0	-52.86	397.72	7.54	-45.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020310101	0	48	-1.0	-40.98	393.62	7.22	-33.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020310101	1	48	-1.0	-40.96	393.67	7.23	-33.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCOCC1	REAL300020310102	0	45	-1.0	-43.02	357.32	6.78	-36.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCOCC1	REAL300020310102	1	45	-1.0	-43.06	357.37	6.79	-36.27
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCOCC1	REAL300020310103	0	52	-1.0	-43.50	411.10	9.29	-34.21
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCOCC1	REAL300020310103	1	52	-1.0	-43.46	411.13	9.28	-34.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(=C)C1	REAL300020310104	0	42	-1.0	-39.74	356.01	7.87	-31.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(=C)C1	REAL300020310104	1	42	-1.0	-39.78	356.07	7.89	-31.89
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(=C)C1	REAL300020310105	0	46	-1.0	-41.30	379.61	10.02	-31.28
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(=C)C1	REAL300020310105	1	46	-1.0	-41.31	379.64	10.01	-31.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC	REAL300020310106	0	46	-1.0	-40.39	366.54	8.40	-31.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC	REAL300020310106	1	46	-1.0	-40.37	366.60	8.42	-31.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC	REAL300020310107	0	43	-1.0	-41.37	357.70	7.70	-33.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC	REAL300020310107	1	43	-1.0	-41.41	357.63	7.68	-33.73
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)CC	REAL300020310108	0	50	-1.0	-40.66	407.47	10.45	-30.21
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)CC	REAL300020310108	1	50	-1.0	-40.67	407.51	10.44	-30.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020310109	0	45	-1.0	-43.64	381.13	8.35	-35.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020310109	1	45	-1.0	-43.61	381.19	8.36	-35.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020310110	0	42	-1.0	-46.34	356.93	7.68	-38.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)C1	REAL300020310110	1	42	-1.0	-46.37	356.87	7.65	-38.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020310111	0	47	-1.0	-46.66	408.02	9.37	-37.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=CS2)CC1	REAL300020310111	1	47	-1.0	-46.68	408.08	9.39	-37.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020310112	0	48	-1.0	-43.37	411.13	10.86	-32.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300020310112	1	48	-1.0	-43.41	411.19	10.89	-32.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020310113	0	48	-1.0	-42.88	397.76	10.08	-32.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020310113	1	48	-1.0	-42.84	397.81	10.09	-32.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020310114	0	45	-1.0	-45.20	377.29	9.35	-35.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1	REAL300020310114	1	45	-1.0	-45.22	377.34	9.38	-35.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020310115	0	48	-1.0	-40.80	406.94	10.27	-30.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020310115	1	48	-1.0	-40.80	406.99	10.28	-30.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020310116	0	45	-1.0	-43.69	380.95	9.60	-34.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)C1	REAL300020310116	1	45	-1.0	-43.69	381.01	9.61	-34.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020310117	0	52	-1.0	-44.67	423.89	9.64	-35.03
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=C2)CC1	REAL300020310117	1	52	-1.0	-44.70	423.94	9.67	-35.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020310118	0	53	-1.0	-39.53	408.48	9.31	-30.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020310118	1	53	-1.0	-39.51	408.54	9.32	-30.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020310119	0	50	-1.0	-41.80	390.67	8.65	-33.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C)CC1	REAL300020310119	1	50	-1.0	-41.88	390.72	8.67	-33.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020310120	0	54	-1.0	-44.33	437.46	11.59	-32.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=C(C)C=C2)CC1	REAL300020310120	1	54	-1.0	-44.38	437.52	11.61	-32.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020310121	0	50	-1.0	-41.00	414.96	9.04	-31.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020310121	1	50	-1.0	-40.95	415.02	9.06	-31.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020310122	0	47	-1.0	-42.55	406.96	8.26	-34.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(CCCC2)S1	REAL300020310122	1	47	-1.0	-42.52	407.02	8.28	-34.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1	REAL300020310123	0	41	-1.0	-40.95	329.79	7.11	-33.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1	REAL300020310123	1	41	-1.0	-40.92	329.84	7.12	-33.80
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)C1	REAL300020310124	0	45	-1.0	-42.07	366.67	9.41	-32.66
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)C1	REAL300020310124	1	45	-1.0	-42.03	366.69	9.40	-32.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020310125	0	48	-1.0	-40.89	370.80	8.68	-32.21
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020310125	1	48	-1.0	-40.87	370.86	8.70	-32.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCC2)C1	REAL300020310126	0	45	-1.0	-43.09	348.72	8.17	-34.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCC2)C1	REAL300020310126	1	45	-1.0	-43.09	348.67	8.14	-34.95
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020310127	0	52	-1.0	-41.95	403.28	10.79	-31.16
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCCC2)C1	REAL300020310127	1	52	-1.0	-41.87	403.29	10.78	-31.09
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020310128	0	48	-1.0	-39.99	393.47	7.01	-32.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020310128	1	48	-1.0	-39.97	393.53	7.02	-32.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC)C1	REAL300020310129	0	45	-1.0	-42.05	375.69	6.35	-35.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC)C1	REAL300020310129	1	45	-1.0	-42.08	375.74	6.37	-35.71
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020310130	0	52	-1.0	-41.00	425.55	9.11	-31.89
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(COC)C1	REAL300020310130	1	52	-1.0	-40.98	425.61	9.10	-31.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020310131	0	53	-1.0	-43.16	431.31	9.41	-33.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC(C)=C2)CC1	REAL300020310131	1	53	-1.0	-43.18	431.36	9.42	-33.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020310132	0	51	-1.0	-44.77	411.65	7.74	-37.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020310132	1	51	-1.0	-44.74	411.71	7.75	-36.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020310133	0	48	-1.0	-47.44	385.93	7.04	-40.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)=O)C(C)(C)C1	REAL300020310133	1	48	-1.0	-47.45	385.99	7.06	-40.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020310134	0	50	-1.0	-44.42	409.74	9.32	-35.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC3=CC=CC=C32)C1	REAL300020310134	1	50	-1.0	-44.40	409.80	9.33	-35.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020310135	0	44	-1.0	-53.20	380.83	4.08	-49.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020310135	1	44	-1.0	-53.24	380.89	4.10	-49.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020310136	0	41	-1.0	-54.81	362.48	3.40	-51.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)C1	REAL300020310136	1	41	-1.0	-54.79	362.54	3.43	-51.36
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020310137	0	45	-1.0	-43.21	381.41	8.23	-34.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020310137	1	45	-1.0	-43.23	381.46	8.24	-34.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020310138	0	42	-1.0	-45.41	359.99	7.46	-37.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020310138	1	42	-1.0	-45.38	359.93	7.44	-37.94
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020310139	0	49	-1.0	-46.09	403.68	10.36	-35.73
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C)(C#N)C1	REAL300020310139	1	49	-1.0	-46.01	403.73	10.34	-35.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020310140	0	46	-1.0	-40.36	379.83	7.16	-33.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020310140	1	46	-1.0	-40.38	379.88	7.18	-33.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCC2)C1	REAL300020310141	0	43	-1.0	-43.21	354.37	6.42	-36.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCC2)C1	REAL300020310141	1	43	-1.0	-43.24	354.43	6.45	-36.79
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020310142	0	50	-1.0	-41.62	408.24	9.12	-32.50
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC2(CCC2)C1	REAL300020310142	1	50	-1.0	-41.60	408.23	9.11	-32.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020310143	0	48	-1.0	-41.75	408.65	7.93	-33.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020310143	1	48	-1.0	-41.78	408.60	7.92	-33.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020310144	0	45	-1.0	-43.64	390.87	7.28	-36.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300020310144	1	45	-1.0	-43.61	390.81	7.26	-36.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CC)C1	REAL300020310145	0	48	-1.0	-40.23	388.23	7.27	-32.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CC)C1	REAL300020310145	1	48	-1.0	-40.19	388.28	7.29	-32.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CC)C1	REAL300020310146	0	45	-1.0	-42.12	366.73	6.49	-35.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CC)C1	REAL300020310146	1	45	-1.0	-42.13	366.78	6.51	-35.62
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(C)(CC)C1	REAL300020310147	0	52	-1.0	-41.92	410.48	9.39	-32.53
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)(CC)C1	REAL300020310147	1	52	-1.0	-41.91	410.52	9.39	-32.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020310148	0	47	-1.0	-50.19	398.45	4.87	-45.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020310148	1	47	-1.0	-50.19	398.51	4.88	-45.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020310149	0	44	-1.0	-53.53	378.10	4.13	-49.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(S(C)(=O)=O)CC1	REAL300020310149	1	44	-1.0	-53.52	378.16	4.15	-49.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020310150	0	52	-1.0	-41.37	426.82	6.82	-34.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020310150	1	52	-1.0	-41.40	426.88	6.84	-34.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020310151	0	49	-1.0	-43.39	406.00	6.06	-37.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COC(C)C)C1	REAL300020310151	1	49	-1.0	-43.37	406.05	6.09	-37.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC(CC)=NS2)CC1	REAL300020310152	0	48	-1.0	-43.17	417.82	6.49	-36.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC(CC)=NS2)CC1	REAL300020310152	1	48	-1.0	-43.13	417.88	6.52	-36.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020310153	0	46	-1.0	-53.75	397.43	4.65	-49.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020310153	1	46	-1.0	-53.77	397.49	4.67	-49.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020310154	0	43	-1.0	-53.64	383.20	3.78	-49.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCS(=O)(=O)CC	REAL300020310154	1	43	-1.0	-53.65	383.27	3.80	-49.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020310155	0	46	-1.0	-42.80	380.98	6.69	-36.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020310155	1	46	-1.0	-42.79	381.03	6.71	-36.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCO2)CC1	REAL300020310156	0	43	-1.0	-45.49	359.19	5.90	-39.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCO2)CC1	REAL300020310156	1	43	-1.0	-45.48	359.24	5.93	-39.55
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020310157	0	50	-1.0	-43.80	409.37	8.70	-35.10
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CCO2)CC1	REAL300020310157	1	50	-1.0	-43.80	409.41	8.69	-35.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020310158	0	46	-1.0	-41.36	405.88	7.85	-33.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020310158	1	46	-1.0	-41.32	405.93	7.87	-33.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020310159	0	43	-1.0	-42.99	383.87	7.11	-35.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1=NC=CS1	REAL300020310159	1	43	-1.0	-42.97	383.95	7.13	-35.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020310160	0	44	-1.0	-46.01	361.10	5.34	-40.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020310160	1	44	-1.0	-46.01	361.16	5.35	-40.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020310161	0	41	-1.0	-46.82	349.75	5.11	-41.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2C1	REAL300020310161	1	41	-1.0	-46.83	349.81	5.14	-41.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020310162	0	44	-1.0	-40.89	376.53	8.27	-32.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020310162	1	44	-1.0	-40.89	376.59	8.28	-32.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020310163	0	41	-1.0	-43.52	358.18	7.59	-35.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)(F)F)C1	REAL300020310163	1	41	-1.0	-43.50	358.24	7.61	-35.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020310164	0	48	-1.0	-41.03	411.63	9.27	-31.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020310164	1	48	-1.0	-41.02	411.68	9.28	-31.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020310165	0	45	-1.0	-44.46	383.17	8.66	-35.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=CC=C2N1	REAL300020310165	1	45	-1.0	-44.43	383.11	8.64	-35.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCOC)CC1	REAL300020310166	0	52	-1.0	-48.97	431.56	4.85	-44.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCOC)CC1	REAL300020310166	1	52	-1.0	-48.99	431.62	4.87	-44.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020310167	0	52	-1.0	-46.53	415.96	5.97	-40.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	REAL300020310167	1	52	-1.0	-46.56	416.02	5.99	-40.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NCC)CC1	REAL300020310168	0	53	-1.0	-47.79	433.59	4.23	-43.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NCC)CC1	REAL300020310168	1	53	-1.0	-47.83	433.64	4.24	-43.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(=O)NCC)CC1	REAL300020310169	0	50	-1.0	-51.33	415.49	3.52	-47.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(=O)NCC)CC1	REAL300020310169	1	50	-1.0	-51.37	415.54	3.54	-47.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCCCCC)CC1	REAL300020310170	0	57	-1.0	-48.26	462.46	8.08	-40.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCCCCC)CC1	REAL300020310170	1	57	-1.0	-48.24	462.52	8.11	-40.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020310171	0	48	-1.0	-43.98	402.14	5.97	-38.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020310171	1	48	-1.0	-43.96	402.20	5.98	-37.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020310172	0	45	-1.0	-45.74	381.76	4.99	-40.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(C)=O)C1	REAL300020310172	1	45	-1.0	-45.76	381.81	5.02	-40.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)OCC)C1	REAL300020310173	0	52	-1.0	-42.50	432.21	6.03	-36.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)OCC)C1	REAL300020310173	1	52	-1.0	-42.47	432.27	6.04	-36.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(NC(=O)OCC)C1	REAL300020310174	0	49	-1.0	-43.81	414.43	5.37	-38.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(NC(=O)OCC)C1	REAL300020310174	1	49	-1.0	-43.81	414.48	5.39	-38.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020310175	0	47	-1.0	-42.00	388.49	9.87	-32.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020310175	1	47	-1.0	-42.01	388.54	9.88	-32.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020310176	0	44	-1.0	-42.91	379.57	9.17	-33.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020310176	1	44	-1.0	-42.95	379.51	9.15	-33.80
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020310177	0	51	-1.0	-43.07	425.30	12.06	-31.01
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC1=CC=CC=C1	REAL300020310177	1	51	-1.0	-43.04	425.31	12.04	-31.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020310178	0	57	0.0	-64.05	438.53	10.31	-53.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020310178	1	57	0.0	-64.12	438.47	10.29	-53.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020310179	0	54	0.0	-61.88	416.95	9.51	-52.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCCC2)CC1	REAL300020310179	1	54	0.0	-61.90	417.01	9.53	-52.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020310180	0	53	-1.0	-42.94	428.74	8.77	-34.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C(C)=C2)CC1	REAL300020310180	1	53	-1.0	-42.98	428.79	8.79	-34.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020310181	0	48	-1.0	-49.00	410.61	8.51	-40.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2C#N)CC1	REAL300020310181	1	48	-1.0	-48.97	410.66	8.54	-40.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020310182	0	54	0.0	-63.84	420.09	9.67	-54.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020310182	1	54	0.0	-63.86	420.14	9.69	-54.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020310183	0	51	0.0	-61.91	398.12	9.08	-52.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCCC2)CC1	REAL300020310183	1	51	0.0	-61.93	398.18	9.10	-52.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020310184	0	60	0.0	-66.89	456.70	11.17	-55.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020310184	1	60	0.0	-66.87	456.76	11.19	-55.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020310185	0	57	0.0	-64.58	434.78	10.56	-54.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2CCCCC2)CC1	REAL300020310185	1	57	0.0	-64.57	434.84	10.58	-53.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020310186	0	50	0.0	-62.68	393.20	8.33	-54.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)CC1	REAL300020310186	1	49	-1.0	-39.82	390.51	6.10	-33.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020310186	1	49	-1.0	-39.82	390.56	6.12	-33.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020310187	0	47	0.0	-61.10	367.01	7.52	-53.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020310187	1	47	0.0	-61.15	366.96	7.50	-53.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C)CC1	REAL300020310187	1	46	-1.0	-42.03	369.73	5.25	-36.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C)CC1	REAL300020310187	1	46	-1.0	-42.03	369.78	5.27	-36.76
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[NH+](C(C)C)CC1	REAL300020310188	0	54	0.0	-67.74	419.76	10.14	-57.60
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C(C)C)CC1	REAL300020310188	1	53	-1.0	-40.79	419.61	8.02	-32.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC	REAL300020310189	0	41	-1.0	-42.15	345.68	5.33	-36.82
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC	REAL300020310189	1	41	-1.0	-42.14	345.74	5.34	-36.80
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC	REAL300020310190	0	45	-1.0	-41.89	381.38	7.21	-34.68
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC	REAL300020310190	1	45	-1.0	-41.82	381.42	7.20	-34.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC	REAL300020310191	0	47	-1.0	-40.70	376.64	7.64	-33.06
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC	REAL300020310191	1	47	-1.0	-40.73	376.70	7.65	-33.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC	REAL300020310192	0	44	-1.0	-44.50	352.88	6.96	-37.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC	REAL300020310192	1	44	-1.0	-44.48	352.81	6.94	-37.54
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1CC	REAL300020310193	0	51	-1.0	-41.63	407.47	10.21	-31.42
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1CC	REAL300020310193	1	51	-1.0	-41.69	407.51	10.20	-31.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020310194	0	43	-1.0	-41.59	374.31	7.56	-34.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020310194	1	43	-1.0	-41.58	374.37	7.57	-34.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020310195	0	40	-1.0	-43.58	352.88	6.80	-36.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020310195	1	40	-1.0	-43.57	352.81	6.77	-36.80
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020310196	0	47	-1.0	-42.85	396.88	9.71	-33.14
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC=N1	REAL300020310196	1	47	-1.0	-42.82	396.94	9.69	-33.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020310197	0	44	-1.0	-40.11	353.30	7.76	-32.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020310197	1	44	-1.0	-40.07	353.36	7.77	-32.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC1	REAL300020310198	0	41	-1.0	-43.06	327.87	7.04	-36.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC1	REAL300020310198	1	41	-1.0	-43.05	327.82	7.03	-36.02
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCC1	REAL300020310199	0	48	-1.0	-41.26	381.83	9.74	-31.52
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCC1	REAL300020310199	1	48	-1.0	-41.23	381.87	9.74	-31.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020310200	0	47	-1.0	-42.11	386.49	9.74	-32.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020310200	1	47	-1.0	-42.04	386.54	9.76	-32.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020310201	0	44	-1.0	-43.04	366.39	8.44	-34.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020310201	1	44	-1.0	-43.04	366.33	8.43	-34.61
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020310202	0	51	-1.0	-41.25	411.07	12.10	-29.15
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1=CC=CC=C1	REAL300020310202	1	51	-1.0	-41.23	411.10	12.07	-29.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020310203	0	41	-1.0	-42.54	352.51	9.46	-33.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020310203	1	41	-1.0	-42.55	352.45	9.44	-33.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC=C1	REAL300020310204	0	38	-1.0	-46.03	317.77	9.83	-36.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC=C1	REAL300020310204	1	38	-1.0	-46.06	317.71	9.81	-36.25
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC=C1	REAL300020310205	0	45	-1.0	-43.44	383.70	11.47	-31.97
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC=C1	REAL300020310205	1	45	-1.0	-43.38	383.73	11.46	-31.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020310206	0	42	-1.0	-40.48	344.93	5.63	-34.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020310206	1	42	-1.0	-40.53	344.99	5.64	-34.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOCC1	REAL300020310207	0	39	-1.0	-42.01	327.73	4.79	-37.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOCC1	REAL300020310207	1	39	-1.0	-42.01	327.67	4.77	-37.24
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCOCC1	REAL300020310208	0	46	-1.0	-42.02	370.37	7.87	-34.15
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCOCC1	REAL300020310208	1	46	-1.0	-41.97	370.42	7.86	-34.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020310209	0	42	-1.0	-44.19	363.66	8.98	-35.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020310209	1	42	-1.0	-44.20	363.60	8.96	-35.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020310210	0	39	-1.0	-46.82	342.69	8.15	-38.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(OC)C=C1	REAL300020310210	1	39	-1.0	-46.77	342.63	8.13	-38.64
C#CCCN1C(NC2=CC=C(OC)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020310211	0	46	-1.0	-44.78	392.16	10.89	-33.89
C#CCCN1C(NC2=CC=C(OC)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020310211	1	46	-1.0	-44.83	392.12	10.90	-33.93
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020310212	0	42	-1.0	-41.24	348.63	7.53	-33.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020310212	1	42	-1.0	-41.26	348.69	7.54	-33.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSC1	REAL300020310213	0	39	-1.0	-41.55	338.02	6.21	-35.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSC1	REAL300020310213	1	39	-1.0	-41.53	337.96	6.20	-35.33
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCSC1	REAL300020310214	0	46	-1.0	-41.60	385.99	9.61	-31.99
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCSC1	REAL300020310214	1	46	-1.0	-41.56	386.05	9.60	-31.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020310215	0	50	-1.0	-43.34	411.33	8.37	-34.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020310215	1	50	-1.0	-43.38	411.39	8.38	-35.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020310216	0	47	-1.0	-44.18	387.72	7.88	-36.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC2=CC=CC=C2O1	REAL300020310216	1	47	-1.0	-44.21	387.78	7.90	-36.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](NC(=O)NCC)[C@H](OC)C1	REAL300020310217	0	51	-1.0	-48.38	431.18	2.90	-45.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](NC(=O)NCC)[C@H](OC)C1	REAL300020310217	1	51	-1.0	-48.45	431.24	2.92	-45.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020310218	0	62	0.0	-56.52	435.20	10.29	-46.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	REAL300020310218	1	62	0.0	-56.57	435.26	10.30	-46.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020310219	0	53	0.0	-62.29	410.87	9.06	-53.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020310219	1	53	0.0	-62.33	410.92	9.08	-53.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020310220	0	50	0.0	-60.12	385.17	8.34	-51.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)CC)CC1	REAL300020310220	1	50	0.0	-60.11	385.23	8.35	-51.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020310221	0	52	-1.0	-42.54	410.60	8.20	-34.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020310221	1	52	-1.0	-42.50	410.66	8.22	-34.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020310222	0	49	-1.0	-42.03	397.83	7.46	-34.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(OC)C12CCC2	REAL300020310222	1	49	-1.0	-42.04	397.90	7.48	-34.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020310223	0	58	0.0	-70.85	451.94	8.70	-62.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020310223	1	57	-1.0	-44.77	444.89	6.64	-38.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCN2CCOCC2)CC1	REAL300020310223	1	57	-1.0	-44.75	444.94	6.67	-38.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020310224	0	48	-1.0	-49.59	383.76	4.52	-45.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300020310224	1	48	-1.0	-49.53	383.82	4.54	-44.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020310225	0	51	-1.0	-40.20	403.05	10.79	-29.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020310225	1	51	-1.0	-40.21	403.11	10.81	-29.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020310226	0	48	-1.0	-43.29	383.29	10.65	-32.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2=CC=CC=C2CC1	REAL300020310226	1	48	-1.0	-43.25	383.24	10.64	-32.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020310227	0	50	-1.0	-40.01	381.47	9.30	-30.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020310227	1	50	-1.0	-40.02	381.53	9.31	-30.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCC1	REAL300020310228	0	47	-1.0	-42.42	366.62	8.88	-33.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCC1	REAL300020310228	1	47	-1.0	-42.42	366.57	8.85	-33.57
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020310229	0	54	-1.0	-41.12	409.68	11.28	-29.84
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCCCCC1	REAL300020310229	1	54	-1.0	-41.06	409.71	11.26	-29.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020310230	0	49	-1.0	-43.60	401.80	8.09	-35.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020310230	1	49	-1.0	-43.55	401.86	8.11	-35.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020310231	0	46	-1.0	-47.13	377.15	7.12	-40.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2C1	REAL300020310231	1	46	-1.0	-47.16	377.09	7.09	-40.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020310232	0	52	-1.0	-41.02	423.22	9.44	-31.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020310232	1	52	-1.0	-41.01	423.27	9.46	-31.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020310233	0	49	-1.0	-43.80	402.98	8.89	-34.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCOC(C2=CC=CC=C2)C1	REAL300020310233	1	49	-1.0	-43.79	403.04	8.92	-34.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC2(CC2)C1	REAL300020310234	0	46	-1.0	-40.44	366.18	6.49	-33.95
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C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(C)C1	REAL300020310277	1	46	-1.0	-41.94	381.71	7.92	-34.02
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC(C)C	REAL300020310279	0	50	-1.0	-45.91	371.43	9.45	-36.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC(C)C	REAL300020310279	1	50	-1.0	-45.90	371.45	9.46	-36.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)CCC	REAL300020310280	0	53	-1.0	-40.77	414.64	8.67	-32.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)CCC	REAL300020310280	1	53	-1.0	-40.80	414.70	8.69	-32.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)CCC	REAL300020310281	0	50	-1.0	-43.31	392.76	8.09	-35.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)CCC	REAL300020310281	1	50	-1.0	-43.32	392.81	8.10	-35.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020310282	0	42	-1.0	-46.57	359.35	8.79	-37.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020310282	1	42	-1.0	-46.60	359.29	8.77	-37.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020310283	0	39	-1.0	-44.42	342.12	8.21	-36.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC)=C1	REAL300020310283	1	39	-1.0	-44.40	342.07	8.18	-36.22
C#CCCN1C(NC2=CC=CC(OC)=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020310284	0	46	-1.0	-47.72	392.35	10.88	-36.84
C#CCCN1C(NC2=CC=CC(OC)=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020310284	1	46	-1.0	-47.72	392.32	10.88	-36.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C)C=C1	REAL300020310285	0	38	-1.0	-44.56	336.78	8.54	-36.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C)C=C1	REAL300020310285	1	38	-1.0	-44.61	336.73	8.52	-36.09
C#CCCN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020310286	0	42	-1.0	-45.92	365.22	10.48	-35.44
C#CCCN1C(NC2=NN(C)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020310286	1	42	-1.0	-45.95	365.16	10.49	-35.46
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020310287	0	38	-1.0	-47.62	332.24	7.43	-40.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020310287	1	38	-1.0	-47.62	332.19	7.41	-40.21
C#CCCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020310288	0	42	-1.0	-48.88	365.43	9.51	-39.37
C#CCCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020310288	1	42	-1.0	-48.85	365.46	9.52	-39.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020310289	0	47	-1.0	-41.84	368.75	7.93	-33.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020310289	1	47	-1.0	-41.84	368.81	7.95	-33.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C	REAL300020310290	0	44	-1.0	-43.35	348.04	6.64	-36.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C	REAL300020310290	1	44	-1.0	-43.39	347.98	6.61	-36.78
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C(C)C	REAL300020310291	0	51	-1.0	-41.10	392.24	9.08	-32.02
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C(C)C	REAL300020310291	1	51	-1.0	-41.07	392.28	9.07	-32.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020310292	0	48	-1.0	-47.78	402.71	9.35	-38.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC=C2C(=O)OC)C1	REAL300020310292	1	48	-1.0	-47.81	402.76	9.38	-38.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020310293	0	58	-1.0	-39.34	454.13	10.12	-29.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020310293	1	58	-1.0	-39.31	454.19	10.13	-29.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020310294	0	55	-1.0	-41.57	434.29	9.40	-32.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCCCC2)CC1	REAL300020310294	1	55	-1.0	-41.57	434.35	9.42	-32.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020310295	0	53	-1.0	-44.24	424.11	9.13	-35.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(=O)OC(C)(C)C)C1	REAL300020310295	1	53	-1.0	-44.20	424.17	9.16	-35.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020310296	0	47	-1.0	-43.80	389.48	3.72	-40.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020310296	1	47	-1.0	-43.84	389.54	3.74	-40.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020310297	0	44	-1.0	-44.15	359.49	3.03	-41.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2OCC(=O)N[C@@H]2C1	REAL300020310297	1	44	-1.0	-44.14	359.55	3.04	-41.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=C(C)N(C)N=C1C	REAL300020310298	0	54	-1.0	-47.49	437.68	6.05	-41.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=C(C)N(C)N=C1C	REAL300020310298	1	54	-1.0	-47.50	437.74	6.07	-41.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020310299	0	50	-1.0	-41.62	408.34	5.67	-35.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020310299	1	50	-1.0	-41.68	408.40	5.68	-36.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020310300	0	47	-1.0	-43.18	386.85	4.88	-38.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(OC)CC1	REAL300020310300	1	47	-1.0	-43.16	386.90	4.91	-38.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020310301	0	53	-1.0	-43.71	440.51	9.01	-34.70
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020310301	1	53	-1.0	-43.71	440.45	8.99	-34.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020310302	0	50	-1.0	-47.51	414.22	7.43	-40.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=C1)CC(C)C	REAL300020310302	1	50	-1.0	-47.49	414.16	7.41	-40.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020310303	0	47	-1.0	-42.00	391.42	10.75	-31.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020310303	1	47	-1.0	-42.01	391.48	10.77	-31.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020310304	0	44	-1.0	-43.40	370.22	10.25	-33.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020310304	1	44	-1.0	-43.34	370.16	10.23	-33.11
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020310305	0	51	-1.0	-43.07	423.85	12.84	-30.23
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=CC(CC)=C1	REAL300020310305	1	51	-1.0	-43.00	423.87	12.83	-30.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020310306	0	48	-1.0	-40.48	374.74	8.90	-31.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020310306	1	48	-1.0	-40.50	374.79	8.92	-31.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020310307	0	45	-1.0	-42.54	347.74	8.25	-34.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020310307	1	45	-1.0	-42.54	347.68	8.23	-34.31
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020310308	0	52	-1.0	-42.02	402.26	10.73	-31.29
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCCC[C@@H]2C1	REAL300020310308	1	52	-1.0	-42.06	402.29	10.71	-31.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(OC)C1	REAL300020310309	0	45	-1.0	-43.90	363.90	6.14	-37.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(OC)C1	REAL300020310309	1	45	-1.0	-43.91	363.96	6.16	-37.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(OC)C1	REAL300020310310	0	42	-1.0	-44.59	348.36	5.18	-39.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(OC)C1	REAL300020310310	1	42	-1.0	-44.58	348.30	5.16	-39.42
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(OC)C1	REAL300020310311	0	49	-1.0	-44.95	392.27	8.09	-36.86
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(OC)C1	REAL300020310311	1	49	-1.0	-44.87	392.30	8.08	-36.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020310312	0	42	-1.0	-41.55	363.73	8.80	-32.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020310312	1	42	-1.0	-41.56	363.78	8.81	-32.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020310313	0	39	-1.0	-43.38	347.24	7.65	-35.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(F)=C2C1	REAL300020310313	1	39	-1.0	-43.32	347.19	7.63	-35.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020310314	0	42	-1.0	-42.19	359.60	8.12	-34.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020310314	1	42	-1.0	-42.16	359.66	8.13	-34.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020310315	0	39	-1.0	-45.45	336.73	8.22	-37.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020310315	1	39	-1.0	-45.46	336.78	8.25	-37.21
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020310316	0	46	-1.0	-43.82	384.24	10.26	-33.56
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2C(C1)C2(F)F	REAL300020310316	1	46	-1.0	-43.78	384.29	10.25	-33.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020310317	0	47	-1.0	-40.29	386.47	8.60	-31.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020310317	1	47	-1.0	-40.30	386.53	8.62	-31.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020310318	0	44	-1.0	-42.25	365.05	7.84	-34.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020310318	1	44	-1.0	-42.22	365.00	7.82	-34.40
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020310319	0	51	-1.0	-41.40	413.26	10.50	-30.90
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(C)(C)C1	REAL300020310319	1	51	-1.0	-41.34	413.26	10.49	-30.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020310320	0	45	-1.0	-42.08	395.40	9.94	-32.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020310320	1	45	-1.0	-42.10	395.46	9.96	-32.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020310321	0	42	-1.0	-46.04	360.70	8.26	-37.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(Cl)=C2C1	REAL300020310321	1	42	-1.0	-46.05	360.65	8.25	-37.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020310322	0	53	-1.0	-41.00	426.76	6.89	-34.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020310322	1	53	-1.0	-41.00	426.82	6.91	-34.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020310323	0	50	-1.0	-43.34	406.42	6.14	-37.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCOC2)CC1	REAL300020310323	1	50	-1.0	-43.33	406.47	6.17	-37.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020310324	0	46	-1.0	-41.96	370.99	6.98	-34.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020310324	1	46	-1.0	-41.99	371.04	7.00	-34.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020310325	0	43	-1.0	-44.99	353.95	6.04	-38.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020310325	1	43	-1.0	-45.00	353.90	6.02	-38.98
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020310326	0	50	-1.0	-43.26	399.66	9.09	-34.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2COC[C@@H]21	REAL300020310326	1	50	-1.0	-43.24	399.70	9.08	-34.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020310327	0	46	-1.0	-49.97	392.41	2.93	-47.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020310327	1	46	-1.0	-49.99	392.46	2.94	-47.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020310328	0	43	-1.0	-50.91	370.91	2.13	-48.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(N)=O)C(=O)C1	REAL300020310328	1	43	-1.0	-50.88	370.97	2.17	-48.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020310329	0	48	-1.0	-40.59	380.52	5.09	-35.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020310329	1	48	-1.0	-40.59	380.58	5.11	-35.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CO)C1C	REAL300020310330	0	45	-1.0	-42.95	359.07	4.33	-38.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CO)C1C	REAL300020310330	1	45	-1.0	-42.95	359.03	4.31	-38.64
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CO)C1C	REAL300020310331	0	52	-1.0	-42.39	402.43	7.15	-35.24
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CO)C1C	REAL300020310331	1	52	-1.0	-42.38	402.46	7.14	-35.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020310332	0	47	-1.0	-46.16	397.84	9.12	-37.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020310332	1	47	-1.0	-46.16	397.90	9.14	-37.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020310333	0	44	-1.0	-47.47	378.07	8.41	-39.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C(C)=O)C=C2C1	REAL300020310333	1	44	-1.0	-47.47	378.02	8.38	-39.09
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020310334	0	59	-1.0	-40.31	436.28	9.65	-30.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020310334	1	59	-1.0	-40.25	436.34	9.66	-30.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020310335	0	56	-1.0	-43.06	416.22	9.30	-33.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1(C)C	REAL300020310335	1	56	-1.0	-43.04	416.28	9.31	-33.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020310336	0	55	-1.0	-44.16	448.91	7.72	-36.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCCOC(C)C)CC1	REAL300020310336	1	55	-1.0	-44.18	448.97	7.75	-36.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020310337	0	50	-1.0	-40.25	392.13	9.05	-31.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020310337	1	50	-1.0	-40.27	392.19	9.07	-31.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020310338	0	47	-1.0	-43.18	385.02	8.35	-34.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020310338	1	47	-1.0	-43.16	384.96	8.32	-34.84
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020310339	0	54	-1.0	-41.65	433.32	10.86	-30.79
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CC(C)(C)C1	REAL300020310339	1	54	-1.0	-41.62	433.36	10.85	-30.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020310340	0	49	-1.0	-40.59	400.38	10.02	-30.57
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020310340	1	49	-1.0	-40.59	400.43	10.04	-30.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020310341	0	46	-1.0	-42.99	381.43	9.34	-33.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCSC2)C1	REAL300020310341	1	46	-1.0	-42.99	381.49	9.37	-33.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020310342	0	52	-1.0	-44.49	419.30	9.29	-35.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC(OC)=C2)C1	REAL300020310342	1	52	-1.0	-44.53	419.34	9.31	-35.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020310343	0	49	-1.0	-43.33	409.33	9.05	-34.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020310343	1	49	-1.0	-43.33	409.38	9.06	-34.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020310344	0	46	-1.0	-44.91	384.50	8.13	-36.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NC=N2)CC1	REAL300020310344	1	46	-1.0	-44.90	384.56	8.14	-36.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020310345	0	52	-1.0	-44.37	409.90	10.95	-33.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2=CC=CC=C2)C2(CCC2)C1	REAL300020310345	1	52	-1.0	-44.39	409.96	10.97	-33.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC1	REAL300020310346	0	44	-1.0	-39.33	358.82	8.11	-31.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC1	REAL300020310346	1	44	-1.0	-39.35	358.88	8.12	-31.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC1	REAL300020310347	0	41	-1.0	-42.10	346.44	6.72	-35.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC1	REAL300020310347	1	41	-1.0	-42.13	346.38	6.70	-35.43
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020310348	0	48	-1.0	-41.64	388.73	9.92	-31.72
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CC1	REAL300020310348	1	48	-1.0	-41.63	388.82	9.91	-31.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020310349	0	42	-1.0	-41.51	357.65	6.00	-35.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020310349	1	42	-1.0	-41.52	357.70	6.01	-35.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CF)C1	REAL300020310350	0	39	-1.0	-42.15	340.62	5.15	-37.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CF)C1	REAL300020310350	1	39	-1.0	-42.18	340.57	5.13	-37.05
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020310351	0	46	-1.0	-43.35	374.31	7.35	-36.00
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CF)C1	REAL300020310351	1	46	-1.0	-43.34	374.34	7.34	-36.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020310352	0	54	-1.0	-45.67	435.32	5.04	-40.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(COC)COC)CC1	REAL300020310352	1	54	-1.0	-45.65	435.38	5.07	-40.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(COC)COC)CC1	REAL300020310352	1	55	0.0	-62.69	432.26	7.37	-55.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300020310353	0	54	0.0	-64.28	429.78	10.82	-53.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300020310353	1	54	0.0	-63.62	430.65	10.68	-52.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020310353	1	53	-1.0	-43.78	428.44	8.48	-35.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)C(C)C1	REAL300020310353	1	53	-1.0	-43.77	428.49	8.50	-35.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020310354	0	51	-1.0	-42.40	419.41	11.54	-30.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020310354	1	51	-1.0	-42.42	419.47	11.55	-30.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020310355	0	48	-1.0	-46.80	381.56	9.24	-37.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(F)C=C1C	REAL300020310355	1	48	-1.0	-46.80	381.51	9.21	-37.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCN(CC(F)(F)F)CC1	REAL300020310356	0	49	-1.0	-41.90	403.44	6.54	-35.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCN(CC(F)(F)F)CC1	REAL300020310356	1	49	-1.0	-41.85	403.50	6.57	-35.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020310357	0	55	-1.0	-48.55	425.54	9.03	-39.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020310357	1	55	-1.0	-48.54	425.60	9.05	-39.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020310358	0	52	-1.0	-58.13	401.77	8.02	-50.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2CCCC2=O)CC1	REAL300020310358	1	52	-1.0	-58.11	401.83	8.04	-50.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020310359	0	48	-1.0	-39.99	392.41	9.31	-30.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020310359	1	48	-1.0	-40.00	392.47	9.32	-30.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)C1	REAL300020310360	0	45	-1.0	-43.26	366.61	8.65	-34.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)C1	REAL300020310360	1	45	-1.0	-43.30	366.67	8.66	-34.64
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020310361	0	52	-1.0	-41.18	417.56	11.23	-29.95
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C2CCC2)C1	REAL300020310361	1	52	-1.0	-41.21	417.59	11.22	-29.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020310362	0	50	-1.0	-40.13	417.21	10.27	-29.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020310362	1	50	-1.0	-40.13	417.27	10.28	-29.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020310363	0	47	-1.0	-42.58	395.50	9.53	-33.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C)C(C)=C1	REAL300020310363	1	47	-1.0	-42.59	395.45	9.51	-33.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020310364	0	50	-1.0	-47.77	418.11	4.44	-43.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020310364	1	50	-1.0	-47.80	418.17	4.46	-43.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020310365	0	47	-1.0	-48.84	393.46	3.77	-45.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)NC)CC1	REAL300020310365	1	47	-1.0	-48.85	393.52	3.79	-45.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=CC(OCC)=C1	REAL300020310366	0	52	-1.0	-45.32	422.96	5.53	-39.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=CC(OCC)=C1	REAL300020310366	1	52	-1.0	-45.32	423.02	5.55	-39.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020310367	0	46	-1.0	-41.68	395.94	8.15	-33.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020310367	1	46	-1.0	-41.68	395.99	8.17	-33.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020310368	0	43	-1.0	-44.37	374.39	7.41	-36.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020310368	1	43	-1.0	-44.36	374.34	7.38	-36.98
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020310369	0	50	-1.0	-42.82	424.05	10.16	-32.66
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=CC(C)=N1	REAL300020310369	1	50	-1.0	-42.76	424.11	10.15	-32.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020310370	0	53	-1.0	-41.04	403.94	9.45	-31.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020310370	1	53	-1.0	-41.07	404.00	9.46	-31.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020310371	0	50	-1.0	-44.28	381.79	8.91	-35.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(C)(C)C)C1	REAL300020310371	1	50	-1.0	-44.34	381.84	8.93	-35.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020310372	0	45	-1.0	-44.04	402.55	8.16	-35.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C(Cl)=C1	REAL300020310372	1	45	-1.0	-44.03	402.60	8.18	-35.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020310373	0	50	-1.0	-44.32	409.26	8.87	-35.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020310373	1	50	-1.0	-44.33	409.31	8.89	-35.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020310374	0	47	-1.0	-46.43	387.94	8.06	-38.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(=O)OC)C1	REAL300020310374	1	47	-1.0	-46.42	387.99	8.09	-38.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCOC	REAL300020310375	0	47	-1.0	-42.27	388.99	6.85	-35.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCCOC	REAL300020310375	1	47	-1.0	-42.27	389.04	6.86	-35.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCOC	REAL300020310376	0	44	-1.0	-43.24	374.78	5.97	-37.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCOC	REAL300020310376	1	44	-1.0	-43.20	374.84	6.00	-37.20
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCCOC	REAL300020310377	0	51	-1.0	-42.73	424.64	8.74	-33.99
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCCOC	REAL300020310377	1	51	-1.0	-42.74	424.69	8.73	-34.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020310378	0	52	-1.0	-39.54	421.20	8.68	-30.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020310378	1	52	-1.0	-39.49	421.26	8.70	-30.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020310379	0	49	-1.0	-42.02	399.26	8.08	-33.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2CCC2)CC1	REAL300020310379	1	49	-1.0	-42.02	399.32	8.09	-33.93
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020310380	0	48	-1.0	-40.37	402.50	7.24	-33.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020310380	1	48	-1.0	-40.36	402.55	7.25	-33.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020310381	0	45	-1.0	-42.16	380.84	6.45	-35.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)CC1	REAL300020310381	1	45	-1.0	-42.20	380.90	6.47	-35.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020310382	0	56	-1.0	-40.32	395.97	10.84	-29.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020310382	1	56	-1.0	-40.30	396.03	10.85	-29.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020310383	0	53	-1.0	-44.97	369.65	10.33	-34.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C(C)(C)C	REAL300020310383	1	53	-1.0	-44.95	369.71	10.35	-34.60
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020310384	0	47	-1.0	-40.40	373.94	8.14	-32.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020310384	1	47	-1.0	-40.45	374.00	8.16	-32.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(C)C1C	REAL300020310385	0	44	-1.0	-43.77	360.22	7.67	-36.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(C)C1C	REAL300020310385	1	44	-1.0	-43.80	360.17	7.66	-36.14
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(C)C1C	REAL300020310386	0	51	-1.0	-41.28	409.00	10.27	-31.01
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(C)C1C	REAL300020310386	1	51	-1.0	-41.28	409.25	10.26	-31.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020310387	0	47	-1.0	-40.18	394.52	8.86	-31.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020310387	1	47	-1.0	-40.21	394.57	8.87	-31.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020310388	0	44	-1.0	-41.58	376.43	8.21	-33.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)(F)F)C1	REAL300020310388	1	44	-1.0	-41.57	376.49	8.23	-33.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020310389	0	51	-1.0	-39.73	409.82	8.17	-31.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020310389	1	51	-1.0	-39.73	409.87	8.19	-31.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020310390	0	48	-1.0	-41.70	392.07	7.51	-34.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CC)OC(CC)C1	REAL300020310390	1	48	-1.0	-41.73	392.14	7.54	-34.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020310391	0	51	-1.0	-41.79	438.36	7.77	-34.02
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020310391	1	51	-1.0	-41.81	438.42	7.79	-34.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020310392	0	48	-1.0	-44.62	417.11	6.96	-37.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)NCC1=CC=CC=C1	REAL300020310392	1	48	-1.0	-44.61	417.17	6.99	-37.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020310393	0	48	-1.0	-42.75	391.21	9.28	-33.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020310393	1	48	-1.0	-42.77	391.27	9.30	-33.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020310394	0	45	-1.0	-45.03	370.74	8.49	-36.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC=C2C1	REAL300020310394	1	45	-1.0	-44.99	370.68	8.46	-36.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020310395	0	45	-1.0	-47.33	377.15	5.20	-42.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020310395	1	45	-1.0	-47.38	377.21	5.22	-42.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020310396	0	42	-1.0	-50.15	355.73	4.43	-45.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020310396	1	42	-1.0	-50.11	355.68	4.41	-45.70
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020310397	0	49	-1.0	-48.32	405.36	7.17	-41.15
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(NC(C)=O)C1	REAL300020310397	1	49	-1.0	-48.30	405.39	7.16	-41.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020310398	0	51	-1.0	-40.92	393.50	9.61	-31.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020310398	1	51	-1.0	-40.93	393.56	9.63	-31.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020310399	0	48	-1.0	-44.49	375.15	9.27	-35.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2)C1	REAL300020310399	1	48	-1.0	-44.49	375.21	9.29	-35.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020310400	0	45	-1.0	-44.53	367.16	11.67	-32.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020310400	1	45	-1.0	-44.58	367.22	11.68	-32.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020310401	0	42	-1.0	-48.12	345.46	11.08	-37.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020310401	1	42	-1.0	-48.12	345.40	11.07	-37.05
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020310402	0	49	-1.0	-45.40	399.66	13.78	-31.62
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C2=CC=CC=C21	REAL300020310402	1	49	-1.0	-45.42	399.69	13.77	-31.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOC1=CC=CC=C1C	REAL300020310403	0	54	-1.0	-41.97	444.03	10.31	-31.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOC1=CC=CC=C1C	REAL300020310403	1	54	-1.0	-41.98	444.09	10.32	-31.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOC1=CC=CC=C1C	REAL300020310404	0	51	-1.0	-44.34	427.75	9.32	-35.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOC1=CC=CC=C1C	REAL300020310404	1	51	-1.0	-44.36	427.80	9.35	-35.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020310405	0	57	0.0	-62.39	437.09	7.74	-54.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020310405	1	56	-1.0	-40.02	438.96	5.75	-34.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020310405	1	56	-1.0	-40.03	439.01	5.76	-34.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)COC)CC1	REAL300020310406	0	54	0.0	-60.00	414.86	7.17	-52.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020310406	1	53	-1.0	-42.16	417.48	4.97	-37.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)(C)COC)CC1	REAL300020310406	1	53	-1.0	-42.19	417.54	4.99	-37.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020310407	0	47	-1.0	-46.80	393.11	6.78	-40.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020310407	1	47	-1.0	-46.78	393.05	6.76	-40.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020310408	0	44	-1.0	-46.81	375.27	6.13	-40.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CN=N2)C1	REAL300020310408	1	44	-1.0	-46.77	375.21	6.11	-40.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020310409	0	47	-1.0	-40.36	379.32	7.70	-32.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020310409	1	47	-1.0	-40.32	379.37	7.72	-32.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020310410	0	44	-1.0	-43.18	357.65	7.03	-36.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020310410	1	44	-1.0	-43.14	357.59	7.02	-36.12
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020310411	0	51	-1.0	-41.22	411.29	9.82	-31.40
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)C[C@H]1C	REAL300020310411	1	51	-1.0	-41.19	411.33	9.82	-31.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020310414	0	54	-1.0	-41.68	438.52	11.80	-29.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020310414	1	54	-1.0	-41.68	438.58	11.82	-29.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020310415	0	51	-1.0	-45.00	412.59	10.80	-34.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)CC1C1=CC=CC=C1	REAL300020310415	1	51	-1.0	-44.96	412.52	10.78	-34.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020310416	0	47	-1.0	-41.03	385.20	7.34	-33.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020310416	1	47	-1.0	-41.04	385.27	7.35	-33.69
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020310417	0	44	-1.0	-41.94	372.76	6.58	-35.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(CCSC2)C1	REAL300020310417	1	44	-1.0	-41.95	372.81	6.60	-35.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020310418	0	46	-1.0	-41.98	377.08	6.71	-35.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020310418	1	46	-1.0	-42.00	377.14	6.72	-35.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020310419	0	43	-1.0	-44.58	355.56	5.92	-38.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020310419	1	43	-1.0	-44.61	355.62	5.95	-38.66
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020310420	0	50	-1.0	-43.07	398.64	8.84	-34.23
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H]2OCC[C@@H]2C1	REAL300020310420	1	50	-1.0	-43.01	398.68	8.82	-34.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020310421	0	52	-1.0	-41.79	426.48	8.39	-33.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020310421	1	52	-1.0	-41.79	426.54	8.41	-33.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020310422	0	49	-1.0	-45.28	400.28	7.66	-37.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(O)CCC2=CC=CC=C21	REAL300020310422	1	49	-1.0	-45.24	400.34	7.68	-37.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020310423	0	51	-1.0	-42.86	417.19	8.00	-34.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020310423	1	51	-1.0	-42.89	417.24	8.02	-34.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020310424	0	48	-1.0	-42.02	394.76	7.67	-34.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(O)C1=CC=CC=C1	REAL300020310424	1	48	-1.0	-42.03	394.71	7.65	-34.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020310425	0	55	-1.0	-41.39	428.14	8.73	-32.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020310425	1	55	-1.0	-41.42	428.19	8.74	-32.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020310426	0	52	-1.0	-43.54	406.17	8.04	-35.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCOCC2)CC1	REAL300020310426	1	52	-1.0	-43.52	406.22	8.07	-35.45
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020310427	0	57	-1.0	-40.80	422.56	10.31	-30.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020310427	1	57	-1.0	-40.82	422.62	10.33	-30.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020310428	0	54	-1.0	-42.48	395.53	9.62	-32.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCC2(C)C)C1	REAL300020310428	1	54	-1.0	-42.51	395.59	9.64	-32.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020310429	0	52	-1.0	-41.49	398.89	7.42	-34.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020310429	1	52	-1.0	-41.46	398.94	7.43	-34.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020310430	0	49	-1.0	-44.87	379.83	7.06	-37.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CC1C)CCOCC2	REAL300020310430	1	49	-1.0	-44.88	379.88	7.09	-37.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#C)CC1	REAL300020310431	0	43	-1.0	-39.95	369.94	8.53	-31.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#C)CC1	REAL300020310431	1	43	-1.0	-39.98	369.99	8.54	-31.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#C)CC1	REAL300020310432	0	40	-1.0	-42.06	348.43	7.77	-34.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#C)CC1	REAL300020310432	1	40	-1.0	-42.08	348.37	7.75	-34.33
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C#C)CC1	REAL300020310433	0	47	-1.0	-41.29	396.66	10.45	-30.84
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C#C)CC1	REAL300020310433	1	47	-1.0	-41.31	396.72	10.44	-30.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC#C)C1	REAL300020310434	0	46	-1.0	-40.31	386.21	9.10	-31.21
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC#C)C1	REAL300020310434	1	46	-1.0	-40.33	386.26	9.12	-31.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC#C)C1	REAL300020310435	0	43	-1.0	-42.43	368.53	8.48	-33.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC#C)C1	REAL300020310435	1	43	-1.0	-42.38	368.43	8.45	-33.93
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC#C)C1	REAL300020310436	0	50	-1.0	-41.38	418.36	11.21	-30.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC#C)C1	REAL300020310436	1	50	-1.0	-41.36	418.33	11.19	-30.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020310437	0	53	-1.0	-41.64	440.05	10.10	-31.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)N=C1)CC1CC1	REAL300020310437	1	53	-1.0	-41.62	440.12	10.11	-31.51
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C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCNC(C)=O	REAL300020310453	0	48	-1.0	-45.63	408.48	6.46	-39.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCNC(C)=O	REAL300020310453	1	48	-1.0	-45.62	408.52	6.46	-39.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020310454	0	47	-1.0	-43.43	392.43	7.88	-35.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020310454	1	47	-1.0	-43.44	392.49	7.89	-35.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020310455	0	44	-1.0	-45.68	362.25	7.12	-38.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(=O)OC)C1	REAL300020310455	1	44	-1.0	-45.70	362.31	7.14	-38.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020310456	0	42	-1.0	-40.30	370.63	8.83	-31.47
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020310457	0	39	-1.0	-40.58	349.19	8.07	-32.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC(F)=C(F)C=C2C1	REAL300020310457	1	39	-1.0	-40.51	349.13	8.04	-32.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020310458	0	46	-1.0	-41.99	386.82	8.03	-33.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020310458	1	46	-1.0	-42.01	386.88	8.04	-33.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020310459	0	43	-1.0	-44.80	364.78	7.22	-37.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(OC)C=C2C1	REAL300020310459	1	43	-1.0	-44.79	364.72	7.19	-37.60
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020310460	0	43	-1.0	-42.84	378.17	9.12	-33.72
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020310461	0	40	-1.0	-44.11	356.12	8.31	-35.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C#N)C=C2C1	REAL300020310461	1	40	-1.0	-44.12	356.07	8.29	-35.83
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC=C2NC(C)=O)C1	REAL300020310462	1	49	-1.0	-47.86	402.67	7.88	-39.98
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C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C#C)C1	REAL300020310465	1	47	-1.0	-144.42	402.64	10.91	-133.51
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=NC=C(C)C=N2)CC1	REAL300020310466	1	50	-1.0	-46.69	419.70	5.51	-41.18
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	REAL300020310468	1	48	-1.0	-44.88	399.45	8.62	-36.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020310469	0	56	0.0	-61.16	419.71	9.02	-52.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020310469	1	56	0.0	-61.12	419.66	9.00	-52.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[NH+](C(C)(C)CC)CC1	REAL300020310470	0	53	0.0	-59.01	397.43	8.43	-50.58
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020310471	0	42	-1.0	-40.24	371.95	4.92	-35.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020310471	1	42	-1.0	-40.26	372.01	4.93	-35.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020310472	0	39	-1.0	-42.40	343.87	4.44	-37.96
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C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NC(C)=NO1	REAL300020310473	1	46	-1.0	-42.60	388.15	7.08	-35.52
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NN=CN2C)CC1	REAL300020310477	0	46	-1.0	-47.51	394.10	8.29	-39.22
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C(C)C1	REAL300020310487	1	48	-1.0	-43.91	372.36	7.96	-35.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCOC)CC1	REAL300020310488	0	54	-1.0	-45.47	445.33	4.26	-41.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCOC)CC1	REAL300020310488	1	54	-1.0	-45.50	445.39	4.29	-41.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCOC)CC1	REAL300020310488	1	55	0.0	-64.97	442.32	6.65	-58.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020310489	0	42	-1.0	-42.12	362.43	8.07	-34.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020310489	1	42	-1.0	-42.08	362.49	8.08	-34.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020310490	0	39	-1.0	-44.56	342.47	7.40	-37.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020310490	1	39	-1.0	-44.54	342.53	7.42	-37.12
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020310491	0	46	-1.0	-43.45	381.05	9.47	-33.98
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(CC2(F)F)C1	REAL300020310491	1	46	-1.0	-43.39	381.08	9.46	-33.93
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020310492	0	43	-1.0	-46.08	373.76	8.85	-37.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020310492	1	43	-1.0	-46.14	373.82	8.87	-37.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020310493	0	40	-1.0	-47.87	361.23	8.33	-39.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(C#N)=C2C1	REAL300020310493	1	40	-1.0	-47.85	361.18	8.30	-39.55
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020310494	0	53	-1.0	-40.82	431.83	8.32	-32.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020310494	1	54	0.0	-68.48	435.35	10.73	-57.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020310494	1	53	-1.0	-40.81	431.88	8.34	-32.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020310495	0	50	-1.0	-43.07	415.12	7.82	-35.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020310495	1	51	0.0	-65.91	413.46	10.14	-55.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=CC=C2)CC1	REAL300020310495	1	50	-1.0	-43.07	415.18	7.84	-35.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020310496	0	39	-1.0	-42.72	335.38	7.39	-35.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020310496	1	39	-1.0	-42.72	335.44	7.40	-35.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020310497	0	36	-1.0	-44.76	313.26	6.85	-37.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020310497	1	36	-1.0	-44.85	313.32	6.88	-37.97
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020310498	0	43	-1.0	-43.95	365.20	9.31	-34.64
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C(C1)C2(F)F	REAL300020310498	1	43	-1.0	-43.91	365.23	9.30	-34.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020310499	0	41	-1.0	-40.02	351.62	7.71	-32.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020310499	1	41	-1.0	-40.02	351.68	7.73	-32.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)C1	REAL300020310500	0	38	-1.0	-41.92	330.23	6.93	-34.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)C1	REAL300020310500	1	38	-1.0	-41.97	330.28	6.96	-35.01
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020310501	0	45	-1.0	-42.11	371.58	9.66	-32.45
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)C1	REAL300020310501	1	45	-1.0	-42.05	371.61	9.65	-32.40
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020310502	0	45	-1.0	-41.66	386.97	8.88	-32.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020310502	1	45	-1.0	-41.66	387.03	8.90	-32.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020310503	0	42	-1.0	-45.61	357.42	8.32	-37.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)C1	REAL300020310503	1	42	-1.0	-45.61	357.47	8.34	-37.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(CC)N=C1)C(C)C	REAL300020310504	0	53	-1.0	-43.89	421.13	8.65	-35.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(CC)N=C1)C(C)C	REAL300020310504	1	53	-1.0	-43.91	421.07	8.63	-35.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(CC)N=C1)C(C)C	REAL300020310505	0	50	-1.0	-46.91	401.63	7.93	-38.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(CC)N=C1)C(C)C	REAL300020310505	1	50	-1.0	-46.88	401.57	7.91	-38.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC)(C(F)(F)F)C1	REAL300020310506	0	45	-1.0	-46.32	388.12	5.01	-41.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC)(C(F)(F)F)C1	REAL300020310506	1	45	-1.0	-46.35	388.17	5.03	-41.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020310507	0	48	-1.0	-44.07	407.96	7.33	-36.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020310507	1	48	-1.0	-44.08	408.02	7.35	-36.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020310508	0	45	-1.0	-45.76	385.58	6.50	-39.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C)O[C@H](C(=O)OC)C1	REAL300020310508	1	45	-1.0	-45.74	385.64	6.51	-39.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020310509	0	49	-1.0	-40.05	400.83	7.89	-32.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020310509	1	49	-1.0	-40.10	400.89	7.91	-32.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020310510	0	46	-1.0	-42.96	375.57	7.16	-35.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCC2)C1	REAL300020310510	1	46	-1.0	-43.00	375.63	7.19	-35.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300020310511	0	48	-1.0	-43.56	382.66	8.40	-35.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2C(C)C1	REAL300020310511	1	48	-1.0	-43.59	382.71	8.43	-35.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC)CC1	REAL300020310512	0	48	-1.0	-39.65	394.11	7.29	-32.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC)CC1	REAL300020310512	1	48	-1.0	-39.65	394.17	7.31	-32.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC)CC1	REAL300020310513	0	45	-1.0	-41.63	376.30	6.64	-34.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC)CC1	REAL300020310513	1	45	-1.0	-41.61	376.36	6.66	-34.95
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OCC)CC1	REAL300020310514	0	52	-1.0	-40.83	424.60	9.34	-31.49
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OCC)CC1	REAL300020310514	1	52	-1.0	-40.85	424.63	9.33	-31.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020310515	0	51	-1.0	-45.15	419.10	7.57	-37.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(OC)C=N2)CC1	REAL300020310515	1	51	-1.0	-45.15	419.16	7.58	-37.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C1=CC=C(OC)C=C1	REAL300020310516	0	53	-1.0	-46.90	439.01	8.34	-38.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C1=CC=C(OC)C=C1	REAL300020310516	1	53	-1.0	-46.86	439.06	8.37	-38.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCCOC1	REAL300020310517	0	48	-1.0	-42.72	376.77	5.94	-36.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCCOC1	REAL300020310517	1	48	-1.0	-42.73	376.82	5.95	-36.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCCOC1	REAL300020310518	0	45	-1.0	-43.92	359.79	5.34	-38.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCCOC1	REAL300020310518	1	45	-1.0	-43.93	359.73	5.31	-38.62
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CCCOC1	REAL300020310519	0	52	-1.0	-43.26	398.44	8.69	-34.57
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CCCOC1	REAL300020310519	1	52	-1.0	-43.19	398.48	8.69	-34.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020310520	0	50	-1.0	-45.33	420.99	9.90	-35.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C2=CC=CC(C)=C2O1	REAL300020310520	1	50	-1.0	-45.29	420.93	9.88	-35.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020310521	0	52	-1.0	-39.86	415.97	8.61	-31.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020310521	1	52	-1.0	-39.85	416.03	8.62	-31.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020310522	0	49	-1.0	-42.65	390.63	7.69	-34.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC2(CCCC2)C1	REAL300020310522	1	49	-1.0	-42.66	390.69	7.71	-34.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020310523	0	51	-1.0	-41.33	414.71	8.04	-33.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020310523	1	51	-1.0	-41.30	414.77	8.05	-33.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020310524	0	48	-1.0	-44.52	396.99	7.37	-37.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)C)C1	REAL300020310524	1	48	-1.0	-44.51	397.05	7.39	-37.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020310525	0	51	-1.0	-41.09	388.55	9.49	-31.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020310525	1	51	-1.0	-41.07	388.61	9.51	-31.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020310526	0	48	-1.0	-41.96	381.92	10.04	-31.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)C1	REAL300020310526	1	48	-1.0	-41.98	381.86	10.02	-31.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020310527	0	47	-1.0	-47.05	392.54	4.93	-42.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020310527	1	47	-1.0	-47.04	392.60	4.94	-42.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020310528	0	44	-1.0	-48.43	367.17	4.19	-44.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300020310528	1	44	-1.0	-48.40	367.25	4.21	-44.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020310529	0	51	-1.0	-45.43	431.06	10.09	-35.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020310529	1	51	-1.0	-45.49	431.11	10.10	-35.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020310530	0	48	-1.0	-45.11	405.59	9.36	-35.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CC3CC3)=NN=C2C1	REAL300020310530	1	48	-1.0	-45.16	405.64	9.37	-35.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020310531	0	45	-1.0	-40.44	397.80	9.03	-31.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020310531	1	45	-1.0	-40.47	397.86	9.04	-31.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020310532	0	42	-1.0	-42.36	372.23	8.31	-34.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C2(F)F	REAL300020310532	1	42	-1.0	-42.34	372.28	8.32	-34.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCSC	REAL300020310533	0	44	-1.0	-42.32	373.60	7.24	-35.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCSC	REAL300020310533	1	44	-1.0	-42.31	373.65	7.25	-35.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCSC	REAL300020310534	0	41	-1.0	-45.17	352.21	6.50	-38.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCSC	REAL300020310534	1	41	-1.0	-45.15	352.15	6.46	-38.69
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCSC	REAL300020310535	0	48	-1.0	-43.52	400.77	9.22	-34.30
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCSC	REAL300020310535	1	48	-1.0	-43.43	400.80	9.23	-34.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020310536	0	50	-1.0	-48.04	401.96	6.26	-41.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020310536	1	50	-1.0	-48.08	402.02	6.28	-41.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020310537	0	47	-1.0	-50.82	384.60	5.29	-45.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)N(C)C)CC1	REAL300020310537	1	47	-1.0	-50.86	384.66	5.31	-45.55
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020310538	0	51	-1.0	-41.76	414.50	10.47	-31.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(F)=C2)C1	REAL300020310538	1	51	-1.0	-41.78	414.56	10.49	-31.29
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CSC1=CC=CC=C1	REAL300020310546	1	48	-1.0	-43.37	410.25	10.36	-33.01
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)CC1	REAL300020310548	0	54	-1.0	-42.92	415.13	10.51	-32.41
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020310549	1	50	-1.0	-51.09	413.01	11.00	-40.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020310550	0	47	-1.0	-53.44	395.86	10.17	-43.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=NN=C2)CC1	REAL300020310550	1	47	-1.0	-53.41	395.80	10.14	-43.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020310551	0	48	-1.0	-46.73	411.29	6.89	-39.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020310551	1	48	-1.0	-46.77	411.35	6.90	-39.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020310552	0	45	-1.0	-47.23	383.84	6.24	-40.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(COC)=NN=C2C1	REAL300020310552	1	45	-1.0	-47.23	383.89	6.26	-40.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020310553	0	49	-1.0	-40.83	417.46	10.79	-30.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020310553	1	49	-1.0	-40.79	417.52	10.80	-29.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020310554	0	46	-1.0	-41.61	400.17	9.93	-31.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C2=CC=CC=C2)C1	REAL300020310554	1	46	-1.0	-41.65	400.23	9.96	-31.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020310555	0	52	-1.0	-41.31	426.11	9.51	-31.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020310555	1	52	-1.0	-41.32	426.17	9.52	-31.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020310556	0	49	-1.0	-44.46	400.96	8.83	-35.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2=CC=CC=C2)C1	REAL300020310556	1	49	-1.0	-44.49	401.02	8.86	-35.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC#C)CC(=O)OC(C)(C)C	REAL300020310557	0	51	-1.0	-44.48	430.85	9.50	-34.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC#C)CC(=O)OC(C)(C)C	REAL300020310557	1	51	-1.0	-44.50	430.91	9.52	-34.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC#C)CC(=O)OC(C)(C)C	REAL300020310558	0	48	-1.0	-44.86	409.49	8.70	-36.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC#C)CC(=O)OC(C)(C)C	REAL300020310558	1	48	-1.0	-44.91	409.55	8.73	-36.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020310559	0	47	-1.0	-48.51	387.45	6.62	-41.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020310559	1	47	-1.0	-48.52	387.50	6.63	-41.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020310560	0	44	-1.0	-48.24	365.95	5.83	-42.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)C1	REAL300020310560	1	44	-1.0	-48.21	366.01	5.86	-42.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC2C1	REAL300020310561	0	42	-1.0	-41.25	342.14	7.87	-33.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC2C1	REAL300020310561	1	42	-1.0	-41.24	342.20	7.88	-33.36
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020310562	0	46	-1.0	-41.68	370.97	9.96	-31.72
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC2C1	REAL300020310562	1	46	-1.0	-41.64	370.99	9.95	-31.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020310563	0	49	-1.0	-40.53	397.11	6.62	-33.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020310563	1	49	-1.0	-40.51	397.17	6.63	-33.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020310564	0	46	-1.0	-43.30	371.98	6.41	-36.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OCC1C	REAL300020310564	1	46	-1.0	-43.37	372.03	6.43	-36.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020310565	0	51	-1.0	-41.63	410.60	5.07	-36.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020310565	1	51	-1.0	-41.60	410.66	5.08	-36.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020310565	1	52	0.0	-67.49	413.41	7.26	-60.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020310566	0	48	-1.0	-42.94	390.92	4.34	-38.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOC2)CC1	REAL300020310566	1	48	-1.0	-42.98	390.98	4.36	-38.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C2CCOC2)CC1	REAL300020310566	1	49	0.0	-65.92	388.05	6.55	-59.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020310567	0	54	-1.0	-40.76	410.15	10.17	-30.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020310567	1	54	-1.0	-40.78	410.20	10.19	-30.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020310568	0	51	-1.0	-42.96	387.99	9.63	-33.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCC2)C1	REAL300020310568	1	51	-1.0	-42.97	388.04	9.66	-33.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020310569	0	48	-1.0	-45.16	410.73	3.51	-41.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)N(C)C)CC1	REAL300020310569	1	48	-1.0	-45.18	410.79	3.54	-41.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020310570	0	48	-1.0	-42.69	391.82	9.24	-33.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020310570	1	48	-1.0	-42.67	391.88	9.26	-33.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020310571	0	45	-1.0	-45.04	370.38	8.46	-36.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C=C2C1	REAL300020310571	1	45	-1.0	-45.06	370.31	8.44	-36.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020310572	0	54	-1.0	-42.43	430.61	10.46	-31.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020310572	1	54	-1.0	-42.37	430.67	10.48	-31.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020310573	0	51	-1.0	-44.92	409.23	9.70	-35.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(C)C)C=C2C1	REAL300020310573	1	51	-1.0	-44.92	409.15	9.69	-35.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCF)CCOC	REAL300020310574	0	44	-1.0	-41.63	370.68	5.30	-36.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCF)CCOC	REAL300020310574	1	44	-1.0	-41.60	370.74	5.31	-36.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCF)CCOC	REAL300020310575	0	41	-1.0	-41.32	345.31	5.07	-36.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCF)CCOC	REAL300020310575	1	41	-1.0	-41.30	345.26	5.05	-36.25
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCF)CCOC	REAL300020310576	0	48	-1.0	-41.53	391.09	7.59	-33.94
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCF)CCOC	REAL300020310576	1	48	-1.0	-41.57	391.13	7.60	-33.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020310577	0	49	-1.0	-48.86	402.09	8.74	-40.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC(C)=CC=C1N2	REAL300020310577	1	49	-1.0	-48.84	402.03	8.72	-40.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020310578	0	49	-1.0	-43.89	398.65	5.74	-38.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020310578	1	49	-1.0	-43.87	398.71	5.75	-38.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020310579	0	46	-1.0	-45.00	376.53	5.16	-39.84
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2NC(=O)CCC2C1	REAL300020310579	1	46	-1.0	-45.02	376.58	5.18	-39.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020310580	0	46	-1.0	-43.43	372.76	5.12	-38.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020310580	1	46	-1.0	-43.44	372.82	5.14	-38.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COCCO1	REAL300020310581	0	43	-1.0	-44.20	358.58	3.99	-40.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COCCO1	REAL300020310581	1	43	-1.0	-44.14	358.44	4.00	-40.14
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1COCCO1	REAL300020310582	0	50	-1.0	-44.53	409.19	7.42	-37.11
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1COCCO1	REAL300020310582	1	50	-1.0	-44.44	409.22	7.41	-37.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020310583	0	46	-1.0	-40.66	380.04	6.85	-33.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020310583	1	46	-1.0	-40.67	380.11	6.86	-33.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCCOC1	REAL300020310584	0	43	-1.0	-42.00	361.53	6.36	-35.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCCOC1	REAL300020310584	1	43	-1.0	-42.02	361.47	6.33	-35.69
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CCCOC1	REAL300020310585	0	50	-1.0	-42.04	408.61	9.06	-32.98
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CCCOC1	REAL300020310585	1	50	-1.0	-42.07	408.65	9.06	-33.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=C(OC)C(F)=C1	REAL300020310586	0	49	-1.0	-46.03	413.10	9.20	-36.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC=C(OC)C(F)=C1	REAL300020310586	1	49	-1.0	-45.98	413.18	9.22	-36.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020310587	0	54	-1.0	-39.63	408.54	9.80	-29.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020310587	1	54	-1.0	-39.62	408.61	9.82	-29.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020310588	0	51	-1.0	-42.65	386.62	9.20	-33.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCC2)CC1	REAL300020310588	1	51	-1.0	-42.67	386.68	9.22	-33.45
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020310589	0	49	-1.0	-40.45	388.02	6.64	-33.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020310589	1	49	-1.0	-40.50	388.07	6.65	-33.85
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020310590	0	46	-1.0	-41.70	366.51	5.84	-35.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)COC[C@]2(C)C1	REAL300020310590	1	46	-1.0	-41.75	366.57	5.86	-35.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020310591	0	46	-1.0	-43.44	378.48	2.21	-41.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020310591	1	46	-1.0	-43.43	378.54	2.22	-41.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CO)CC1	REAL300020310592	0	43	-1.0	-45.92	360.69	1.57	-44.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CO)CC1	REAL300020310592	1	43	-1.0	-45.93	360.74	1.59	-44.34
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(O)(CO)CC1	REAL300020310593	0	50	-1.0	-44.26	410.55	4.30	-39.96
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(O)(CO)CC1	REAL300020310593	1	50	-1.0	-44.27	410.59	4.29	-39.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020310594	0	51	-1.0	-39.78	406.93	10.12	-29.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020310594	1	51	-1.0	-39.79	406.98	10.13	-29.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020310595	0	48	-1.0	-42.96	385.12	9.51	-33.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCC2)CC1	REAL300020310595	1	48	-1.0	-42.92	385.18	9.53	-33.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC=C)C1	REAL300020310596	0	48	-1.0	-39.87	392.08	9.12	-30.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC=C)C1	REAL300020310596	1	48	-1.0	-39.86	392.13	9.13	-30.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC=C)C1	REAL300020310597	0	45	-1.0	-41.99	374.34	8.48	-33.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC=C)C1	REAL300020310597	1	45	-1.0	-41.96	374.29	8.46	-33.50
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC=C)C1	REAL300020310598	0	52	-1.0	-40.75	424.15	11.21	-29.54
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC=C)C1	REAL300020310598	1	52	-1.0	-40.68	424.21	11.20	-29.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC)C=C1	REAL300020310599	0	41	-1.0	-44.52	358.31	9.40	-35.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC)C=C1	REAL300020310599	1	41	-1.0	-44.47	358.26	9.39	-35.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC)C=C1	REAL300020310600	0	38	-1.0	-46.54	336.84	8.63	-37.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC)C=C1	REAL300020310600	1	38	-1.0	-46.51	336.77	8.59	-37.92
C#CCCN1C(NC2=NN(CC)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020310601	0	45	-1.0	-45.77	386.72	11.34	-34.43
C#CCCN1C(NC2=NN(CC)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020310601	1	45	-1.0	-45.77	386.68	11.36	-34.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC#C)C1	REAL300020310602	0	46	-1.0	-40.31	386.21	9.10	-31.21
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC#C)C1	REAL300020310602	1	46	-1.0	-40.33	386.26	9.12	-31.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC#C)C1	REAL300020310603	0	43	-1.0	-42.43	368.53	8.48	-33.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC#C)C1	REAL300020310603	1	43	-1.0	-42.38	368.43	8.45	-33.93
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC#C)C1	REAL300020310604	0	50	-1.0	-41.38	418.36	11.21	-30.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC#C)C1	REAL300020310604	1	50	-1.0	-41.36	418.33	11.19	-30.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020310605	0	59	-1.0	-39.99	440.02	10.34	-29.65
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020310605	1	59	-1.0	-39.96	440.08	10.36	-29.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020310606	0	56	-1.0	-43.95	413.22	9.64	-34.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)(C)CC(C)(C)C1	REAL300020310606	1	56	-1.0	-43.99	413.27	9.67	-34.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020310607	0	56	-1.0	-40.66	413.33	9.40	-31.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020310607	1	56	-1.0	-40.63	413.39	9.42	-31.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020310608	0	53	-1.0	-42.00	395.11	9.93	-32.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)CC(C)(C)C1	REAL300020310608	1	53	-1.0	-42.03	395.17	9.96	-32.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020310609	0	54	-1.0	-42.02	425.00	12.89	-29.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020310609	1	54	-1.0	-41.99	425.06	12.90	-29.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020310610	0	51	-1.0	-46.75	370.90	8.86	-37.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(C)C=CC=C1C	REAL300020310610	1	51	-1.0	-46.81	370.85	8.85	-37.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020310611	0	47	-1.0	-50.55	393.96	7.18	-43.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020310611	1	47	-1.0	-50.53	393.91	7.17	-43.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020310612	0	44	-1.0	-54.02	372.47	6.41	-47.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2C=CN=N2)C1	REAL300020310612	1	44	-1.0	-54.01	372.41	6.38	-47.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020310613	0	54	-1.0	-41.43	393.27	8.71	-32.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020310613	1	54	-1.0	-41.49	393.32	8.73	-32.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020310614	0	51	-1.0	-44.31	371.60	8.08	-36.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC=C2C(C)(C)C1	REAL300020310614	1	51	-1.0	-44.26	371.54	8.06	-36.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020310615	0	57	-1.0	-41.73	454.36	9.21	-32.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020310615	1	57	-1.0	-41.75	454.42	9.22	-32.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020310616	0	54	-1.0	-44.89	433.13	8.41	-36.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(=O)N(C)C1CCCCC1	REAL300020310616	1	54	-1.0	-44.84	433.17	8.43	-36.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020310617	0	52	-1.0	-46.54	404.31	6.97	-39.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](C2=CC=CC=C2)[C@H](CO)C1	REAL300020310617	1	52	-1.0	-46.55	404.37	7.00	-39.55
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020310618	0	45	-1.0	-43.45	379.78	8.29	-35.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020310618	1	45	-1.0	-43.44	379.84	8.30	-35.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC#N)C1	REAL300020310619	0	42	-1.0	-45.77	362.10	7.65	-38.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC#N)C1	REAL300020310619	1	42	-1.0	-45.76	362.00	7.63	-38.13
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020310620	0	49	-1.0	-45.27	411.93	10.38	-34.89
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CC#N)C1	REAL300020310620	1	49	-1.0	-45.20	411.90	10.38	-34.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020310621	0	54	-1.0	-39.59	408.85	10.27	-29.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020310621	1	54	-1.0	-39.58	408.90	10.28	-29.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020310622	0	51	-1.0	-41.70	395.96	9.54	-32.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCC2)CC1	REAL300020310622	1	51	-1.0	-41.69	396.01	9.56	-32.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C(C)CC	REAL300020310623	0	46	-1.0	-40.70	367.12	6.43	-34.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C(C)CC	REAL300020310623	1	46	-1.0	-40.68	367.18	6.44	-34.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C(C)CC	REAL300020310624	0	43	-1.0	-43.23	351.38	5.85	-37.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C(C)CC	REAL300020310624	1	43	-1.0	-43.20	351.33	5.82	-37.38
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C(C)CC	REAL300020310625	0	50	-1.0	-41.08	401.22	10.20	-30.88
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C(C)CC	REAL300020310625	1	50	-1.0	-41.05	401.27	10.19	-30.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020310626	0	52	-1.0	-40.65	384.90	9.29	-31.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020310626	1	52	-1.0	-40.66	384.96	9.30	-31.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020310627	0	49	-1.0	-43.44	370.82	8.81	-34.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C1CCC2CC1	REAL300020310627	1	49	-1.0	-43.49	370.88	8.83	-34.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020310628	0	47	-1.0	-45.32	386.69	5.99	-39.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020310628	1	47	-1.0	-45.26	386.75	6.00	-39.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020310629	0	44	-1.0	-45.39	370.54	5.84	-39.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CCC(=O)N2)C1	REAL300020310629	1	44	-1.0	-45.40	370.48	5.81	-39.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020310630	0	48	-1.0	-41.07	401.03	9.04	-32.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020310630	1	48	-1.0	-41.08	401.09	9.05	-32.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020310631	0	45	-1.0	-44.37	378.67	8.64	-35.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CO2)CC1	REAL300020310631	1	45	-1.0	-44.36	378.72	8.65	-35.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020310632	0	49	-1.0	-40.97	384.40	7.87	-33.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020310632	1	49	-1.0	-41.02	384.46	7.88	-33.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020310633	0	46	-1.0	-42.76	370.79	7.20	-35.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C2CC2)C1	REAL300020310633	1	46	-1.0	-42.79	370.85	7.21	-35.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020310634	0	52	-1.0	-42.27	430.16	10.13	-32.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020310634	1	52	-1.0	-42.24	430.21	10.14	-32.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020310635	0	49	-1.0	-45.86	402.58	9.19	-36.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2=CC=CC=C2)C1	REAL300020310635	1	49	-1.0	-45.89	402.64	9.22	-36.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020310636	0	53	-1.0	-40.38	422.22	9.75	-30.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020310636	1	53	-1.0	-40.44	422.28	9.76	-30.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020310637	0	50	-1.0	-43.55	385.81	8.74	-34.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C(C)(C)C)C1	REAL300020310637	1	50	-1.0	-43.57	385.87	8.76	-34.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020310639	0	48	-1.0	-43.75	405.95	7.64	-36.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020310639	1	48	-1.0	-43.78	406.01	7.66	-36.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020310640	0	45	-1.0	-45.00	381.23	6.76	-38.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@H](C(=O)OC)C1	REAL300020310640	1	45	-1.0	-45.03	381.29	6.78	-38.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020310641	0	53	-1.0	-39.74	408.09	9.81	-29.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020310641	1	53	-1.0	-39.77	408.15	9.82	-29.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020310642	0	50	-1.0	-43.75	381.42	9.17	-34.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC)(CC)C1	REAL300020310642	1	50	-1.0	-43.78	381.48	9.19	-34.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020310643	0	49	-1.0	-49.40	399.82	4.45	-44.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020310643	1	49	-1.0	-49.40	399.88	4.47	-44.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020310644	0	46	-1.0	-50.70	386.67	3.75	-46.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)[C@H](C)C1	REAL300020310644	1	46	-1.0	-50.67	386.72	3.77	-46.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020310645	0	48	-1.0	-44.11	402.84	8.10	-36.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020310645	1	48	-1.0	-44.10	402.78	8.09	-36.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020310646	0	45	-1.0	-45.09	380.75	7.54	-37.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2C=CC=N2)C1	REAL300020310646	1	45	-1.0	-45.13	380.69	7.51	-37.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020310647	0	47	-1.0	-41.53	385.40	8.68	-32.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020310647	1	47	-1.0	-41.49	385.46	8.70	-32.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCF)C1	REAL300020310648	0	44	-1.0	-44.23	367.64	8.03	-36.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCF)C1	REAL300020310648	1	44	-1.0	-44.23	367.70	8.05	-36.18
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CCF)C1	REAL300020310649	0	51	-1.0	-43.61	406.53	10.84	-32.77
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CCF)C1	REAL300020310649	1	51	-1.0	-43.55	406.55	10.84	-32.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCOC)CC1	REAL300020310650	0	54	-1.0	-41.44	437.71	8.54	-32.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCOC)CC1	REAL300020310650	1	54	-1.0	-41.43	437.76	8.55	-32.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCOC)CC1	REAL300020310651	0	51	-1.0	-44.05	416.20	7.75	-36.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCOC)CC1	REAL300020310651	1	51	-1.0	-44.09	416.25	7.78	-36.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020310652	0	46	-1.0	-42.72	371.97	6.14	-36.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020310652	1	46	-1.0	-42.77	372.03	6.15	-36.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2COCC2(C)C1	REAL300020310653	0	43	-1.0	-46.48	341.26	5.42	-41.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2COCC2(C)C1	REAL300020310653	1	43	-1.0	-46.49	341.32	5.45	-41.04
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020310654	0	50	-1.0	-43.76	402.53	8.25	-35.51
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2COCC2(C)C1	REAL300020310654	1	50	-1.0	-43.78	402.57	8.24	-35.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020310655	0	52	-1.0	-44.48	410.77	9.02	-35.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=CC(OC)=C2)C1	REAL300020310655	1	52	-1.0	-44.46	410.82	9.04	-35.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020310656	0	48	-1.0	-39.52	387.01	7.21	-32.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020310656	1	48	-1.0	-39.55	387.07	7.23	-32.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020310657	0	45	-1.0	-42.03	365.19	6.59	-35.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020310657	1	45	-1.0	-42.05	365.25	6.62	-35.43
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020310658	0	52	-1.0	-40.73	419.15	9.30	-31.43
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)O[C@@H](C)C1	REAL300020310658	1	52	-1.0	-40.69	419.18	9.28	-31.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=CC=C1F	REAL300020310659	0	50	-1.0	-42.18	414.46	10.28	-31.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=CC=C1F	REAL300020310659	1	50	-1.0	-42.22	414.52	10.30	-31.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=CC=C1F	REAL300020310660	0	47	-1.0	-44.87	400.49	9.13	-35.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=CC=C1F	REAL300020310660	1	47	-1.0	-44.86	400.41	9.11	-35.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020310661	0	44	-1.0	-42.65	353.09	8.54	-34.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020310661	1	44	-1.0	-42.68	353.15	8.55	-34.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(F)CC1	REAL300020310662	0	41	-1.0	-41.40	347.27	7.47	-33.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(F)CC1	REAL300020310662	1	41	-1.0	-41.40	347.33	7.50	-33.90
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(F)(F)CC1	REAL300020310663	0	48	-1.0	-43.61	386.20	10.66	-32.95
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(F)(F)CC1	REAL300020310663	1	48	-1.0	-43.58	386.25	10.65	-32.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020310664	0	48	-1.0	-46.43	410.59	2.72	-43.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C(C(N)=O)N=N2)CC1	REAL300020310664	1	48	-1.0	-46.47	410.54	2.71	-43.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020310665	0	49	-1.0	-41.50	423.57	8.00	-33.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020310665	1	49	-1.0	-41.51	423.63	8.01	-33.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020310666	0	46	-1.0	-47.03	399.34	7.47	-39.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CSC(C(C)C)=N1	REAL300020310666	1	46	-1.0	-47.05	399.39	7.50	-39.55
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020310667	0	43	-1.0	-48.26	362.94	5.49	-42.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020310667	1	43	-1.0	-48.22	363.00	5.50	-42.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020310668	0	40	-1.0	-49.87	354.99	4.82	-45.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020310668	1	40	-1.0	-49.86	354.93	4.80	-45.06
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020310669	0	47	-1.0	-50.32	392.96	7.53	-42.79
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN(C)N=N1	REAL300020310669	1	47	-1.0	-50.29	392.99	7.52	-42.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020310670	0	50	-1.0	-40.23	398.79	8.42	-31.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020310670	1	50	-1.0	-40.28	398.84	8.43	-31.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020310671	0	47	-1.0	-43.62	376.11	7.72	-35.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020310671	1	47	-1.0	-43.64	376.06	7.70	-35.94
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020310672	0	54	-1.0	-41.17	426.34	10.26	-30.91
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H](CC)CC[C@H]1C	REAL300020310672	1	54	-1.0	-41.19	426.38	10.25	-30.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020310673	0	55	-1.0	-40.08	433.27	9.12	-30.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020310673	1	55	-1.0	-40.06	433.33	9.13	-30.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020310674	0	52	-1.0	-42.32	407.36	8.53	-33.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCCO2)CC1	REAL300020310674	1	52	-1.0	-42.27	407.42	8.55	-33.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020310675	0	55	-1.0	-42.70	430.73	9.11	-33.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020310675	1	55	-1.0	-42.68	430.79	9.12	-33.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020310676	0	52	-1.0	-46.35	409.51	8.33	-38.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCO2)C1	REAL300020310676	1	52	-1.0	-46.35	409.56	8.36	-37.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020310677	0	43	-1.0	-42.27	356.56	5.41	-36.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020310677	1	43	-1.0	-42.33	356.62	5.42	-36.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)CCCO2	REAL300020310678	0	40	-1.0	-44.60	337.83	4.68	-39.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)CCCO2	REAL300020310678	1	40	-1.0	-44.59	337.77	4.65	-39.94
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020310679	0	47	-1.0	-43.12	389.72	7.52	-35.60
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)CCCO2	REAL300020310679	1	47	-1.0	-43.14	389.76	7.51	-35.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020310680	0	48	-1.0	-50.95	391.53	6.66	-44.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020310680	1	48	-1.0	-50.94	391.59	6.67	-44.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020310681	0	45	-1.0	-51.63	362.42	5.82	-45.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020310681	1	45	-1.0	-51.65	362.36	5.80	-45.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020310682	0	43	-1.0	-39.43	361.27	8.25	-31.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020310682	1	43	-1.0	-39.41	361.32	8.27	-31.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC2CCC21	REAL300020310683	0	40	-1.0	-42.48	340.23	8.09	-34.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC2CCC21	REAL300020310683	1	40	-1.0	-42.50	340.17	8.06	-34.44
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020310684	0	47	-1.0	-41.83	387.48	10.79	-31.04
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC2CCC21	REAL300020310684	1	47	-1.0	-41.87	387.51	10.78	-31.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020310685	0	46	-1.0	-51.92	389.97	2.74	-49.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O	REAL300020310685	1	46	-1.0	-52.00	390.03	2.77	-49.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020310686	0	46	-1.0	-51.89	380.10	3.25	-48.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CS(=O)(=O)[C@@H]2C1	REAL300020310686	1	46	-1.0	-51.97	380.16	3.27	-48.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020310687	0	47	-1.0	-45.81	407.86	4.86	-40.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300020310687	1	47	-1.0	-45.81	407.91	4.88	-40.93
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020310688	0	51	-1.0	-47.93	426.65	2.86	-45.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020310688	1	51	-1.0	-47.96	426.71	2.87	-45.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020310689	0	48	-1.0	-50.74	409.57	1.99	-48.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CNC(=O)NC)C1	REAL300020310689	1	48	-1.0	-50.78	409.63	2.02	-48.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020310690	0	49	-1.0	-41.34	392.93	8.27	-33.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020310690	1	49	-1.0	-41.29	392.99	8.28	-33.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020310691	0	46	-1.0	-44.55	376.34	7.66	-36.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2N(C)C(=O)C1	REAL300020310691	1	46	-1.0	-44.53	376.29	7.63	-36.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020310692	0	46	-1.0	-46.91	386.62	3.80	-43.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020310692	1	46	-1.0	-46.92	386.67	3.81	-43.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020310693	0	43	-1.0	-43.72	361.64	2.90	-40.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C(N)=O)C1	REAL300020310693	1	43	-1.0	-43.73	361.70	2.92	-40.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020310694	0	47	-1.0	-47.30	386.62	6.59	-40.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020310694	1	47	-1.0	-47.33	386.68	6.61	-40.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020310695	0	44	-1.0	-46.51	378.96	5.14	-41.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=NC(C)=NO1)C2	REAL300020310695	1	44	-1.0	-46.55	379.02	5.16	-41.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020310696	0	45	-1.0	-40.58	377.46	6.32	-34.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020310696	1	45	-1.0	-40.57	377.52	6.34	-34.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020310697	0	42	-1.0	-42.20	354.86	5.62	-36.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)(F)F)C1C	REAL300020310697	1	42	-1.0	-42.23	354.91	5.63	-36.60
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020310698	0	48	-1.0	-43.86	395.07	6.42	-37.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020310698	1	48	-1.0	-43.81	395.12	6.44	-37.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020310699	0	45	-1.0	-44.69	368.22	5.74	-38.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(=O)OC)C1	REAL300020310699	1	45	-1.0	-44.69	368.27	5.76	-38.93
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020310700	0	51	-1.0	-46.44	421.11	9.80	-36.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020310700	1	51	-1.0	-46.45	421.17	9.82	-36.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020310701	0	48	-1.0	-49.48	400.33	9.23	-40.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1F)CC1CC1	REAL300020310701	1	48	-1.0	-49.46	400.28	9.21	-40.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020310702	0	48	-1.0	-48.56	403.86	6.57	-41.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020310702	1	48	-1.0	-48.51	403.92	6.59	-41.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020310703	0	45	-1.0	-47.28	389.65	5.70	-41.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN(C)C(=O)OC	REAL300020310703	1	45	-1.0	-47.33	389.71	5.72	-41.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020310704	0	51	-1.0	-44.16	412.21	2.85	-41.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020310704	1	51	-1.0	-44.20	412.27	2.86	-41.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020310705	0	48	-1.0	-46.07	394.44	2.19	-43.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C(N)=O)C1	REAL300020310705	1	48	-1.0	-46.05	394.50	2.22	-43.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020310706	0	45	-1.0	-43.23	369.09	6.23	-37.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020310706	1	45	-1.0	-43.22	369.14	6.25	-36.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(C)COC1	REAL300020310707	0	42	-1.0	-41.89	352.63	5.66	-36.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(C)COC1	REAL300020310707	1	42	-1.0	-41.87	352.58	5.64	-36.23
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1(C)COC1	REAL300020310708	0	49	-1.0	-42.56	397.77	8.49	-34.07
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1(C)COC1	REAL300020310708	1	49	-1.0	-42.51	397.82	8.48	-34.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CC	REAL300020310709	0	55	-1.0	-40.24	430.33	10.33	-29.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CC	REAL300020310709	1	55	-1.0	-40.23	430.39	10.35	-29.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CC	REAL300020310710	0	52	-1.0	-41.48	415.61	9.47	-32.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CC	REAL300020310710	1	52	-1.0	-41.48	415.68	9.50	-31.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020310711	0	51	-1.0	-39.98	410.41	10.22	-29.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020310711	1	51	-1.0	-39.99	410.46	10.23	-29.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020310712	0	48	-1.0	-42.07	388.91	9.44	-32.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCC2)C1	REAL300020310712	1	48	-1.0	-42.04	388.97	9.46	-32.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020310713	0	47	-1.0	-43.92	396.29	8.42	-35.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020310713	1	47	-1.0	-43.88	396.35	8.43	-35.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020310714	0	44	-1.0	-45.68	371.47	7.50	-38.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)CC1	REAL300020310714	1	44	-1.0	-45.70	371.52	7.51	-38.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020310715	0	43	-1.0	-42.31	368.34	5.87	-36.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020310715	1	43	-1.0	-42.30	368.40	5.89	-36.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020310716	0	40	-1.0	-43.71	346.30	5.06	-38.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020310716	1	40	-1.0	-43.69	346.24	5.04	-38.65
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020310717	0	47	-1.0	-43.73	393.47	7.67	-36.06
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=C(O)C=C2C1	REAL300020310717	1	47	-1.0	-43.67	393.52	7.66	-36.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CCCC	REAL300020310718	0	61	-1.0	-39.30	480.42	11.77	-27.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CCCC	REAL300020310718	1	61	-1.0	-39.35	480.48	11.78	-27.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC(CC)CCCC	REAL300020310719	0	58	-1.0	-41.35	458.62	11.02	-30.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC(CC)CCCC	REAL300020310719	1	58	-1.0	-41.38	458.67	11.05	-30.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020310720	0	48	-1.0	-42.53	399.61	7.41	-35.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020310720	1	48	-1.0	-42.57	399.67	7.42	-35.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020310721	0	45	-1.0	-42.54	367.01	6.28	-36.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(C)(C(F)F)C1	REAL300020310721	1	45	-1.0	-42.48	367.07	6.30	-36.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020310722	0	52	-1.0	-47.94	421.75	8.27	-39.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020310722	1	52	-1.0	-47.94	421.81	8.29	-39.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020310723	0	49	-1.0	-51.14	403.40	7.59	-43.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020310723	1	49	-1.0	-51.17	403.46	7.61	-43.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020310724	0	52	-1.0	-47.94	421.75	8.27	-39.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020310724	1	52	-1.0	-47.94	421.81	8.29	-39.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020310725	0	49	-1.0	-51.14	403.40	7.59	-43.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CN2CCCC2=O)C1	REAL300020310725	1	49	-1.0	-51.17	403.46	7.61	-43.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(=C)C	REAL300020310726	0	41	-1.0	-40.27	344.54	7.39	-32.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(=C)C	REAL300020310726	1	41	-1.0	-40.27	344.60	7.41	-32.86
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(=C)C	REAL300020310727	0	45	-1.0	-40.77	379.59	9.26	-31.51
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(=C)C	REAL300020310727	1	45	-1.0	-40.73	379.63	9.25	-31.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020310728	0	49	-1.0	-43.45	404.82	9.06	-34.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020310728	1	49	-1.0	-43.44	404.88	9.07	-34.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020310729	0	46	-1.0	-44.98	386.61	8.22	-36.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC2=CC=CC=C2)C1	REAL300020310729	1	46	-1.0	-44.98	386.66	8.24	-36.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020310730	0	45	-1.0	-40.16	382.24	6.80	-33.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020310730	1	45	-1.0	-40.16	382.30	6.82	-33.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020310731	0	42	-1.0	-44.26	360.63	6.02	-38.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)F)C1	REAL300020310731	1	42	-1.0	-44.29	360.70	6.04	-38.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020310732	0	45	-1.0	-41.27	389.30	6.97	-34.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020310732	1	45	-1.0	-41.23	389.36	6.98	-34.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020310733	0	42	-1.0	-42.98	371.54	6.31	-36.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(F)(F)F)C1	REAL300020310733	1	42	-1.0	-42.98	371.59	6.34	-36.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020310734	0	48	-1.0	-40.95	408.99	8.26	-32.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020310734	1	48	-1.0	-40.99	409.05	8.28	-32.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020310735	0	45	-1.0	-41.59	387.50	7.48	-34.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OC(CC(F)(F)F)C1	REAL300020310735	1	45	-1.0	-41.57	387.55	7.50	-34.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020310736	0	53	-1.0	-45.41	430.56	9.17	-36.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020310736	1	53	-1.0	-45.41	430.61	9.18	-36.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020310737	0	50	-1.0	-45.41	403.11	8.52	-36.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NN=C2C(C)(C)C)C1	REAL300020310737	1	50	-1.0	-45.42	403.16	8.55	-36.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(CC)CC)CC1	REAL300020310738	0	57	-1.0	-44.68	446.89	8.53	-36.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(CC)CC)CC1	REAL300020310738	1	57	-1.0	-44.70	446.95	8.55	-36.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C(CC)CC)CC1	REAL300020310739	0	54	-1.0	-47.38	433.52	8.09	-39.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C(CC)CC)CC1	REAL300020310739	1	54	-1.0	-47.42	433.58	8.12	-39.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020310740	0	43	-1.0	-41.61	355.69	5.81	-35.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020310740	1	43	-1.0	-41.62	355.75	5.83	-35.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC2)C1	REAL300020310741	0	40	-1.0	-44.52	328.86	5.12	-39.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC2)C1	REAL300020310741	1	40	-1.0	-44.49	328.81	5.10	-39.39
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020310742	0	47	-1.0	-42.76	384.15	7.75	-35.01
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2(COC2)C1	REAL300020310742	1	47	-1.0	-42.74	384.19	7.75	-34.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CCCCC	REAL300020310743	0	56	-1.0	-40.90	440.98	9.96	-30.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CCCCC	REAL300020310743	1	56	-1.0	-40.91	441.04	9.98	-30.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CCCCC	REAL300020310744	0	53	-1.0	-43.85	419.25	9.30	-34.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CCCCC	REAL300020310744	1	53	-1.0	-43.81	419.31	9.32	-34.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020310745	0	54	-1.0	-40.90	417.93	9.47	-31.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020310745	1	54	-1.0	-40.90	417.99	9.48	-31.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CC1CCC1	REAL300020310746	0	51	-1.0	-44.14	402.75	9.06	-35.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC1CCC1	REAL300020310746	1	51	-1.0	-44.12	402.81	9.07	-35.05
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020310747	0	52	-1.0	-41.07	434.05	8.84	-32.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020310747	1	52	-1.0	-41.06	434.11	8.85	-32.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020310748	0	49	-1.0	-43.55	406.67	8.01	-35.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C(C)C)=NC=C2C1	REAL300020310748	1	49	-1.0	-43.55	406.73	8.03	-35.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020310749	0	53	-1.0	-42.22	435.58	9.62	-32.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C)C=C2C)CC1	REAL300020310749	1	53	-1.0	-42.23	435.63	9.64	-32.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020310750	0	50	-1.0	-46.20	414.95	7.69	-38.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)C2=CC=CN2C)CC1	REAL300020310750	1	50	-1.0	-46.20	415.00	7.71	-38.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC2C1	REAL300020310751	0	42	-1.0	-39.51	348.96	8.12	-31.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC2C1	REAL300020310751	1	42	-1.0	-39.51	349.02	8.13	-31.38
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C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC2C1	REAL300020310752	1	46	-1.0	-41.79	369.00	10.25	-31.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(CC)=NO2)CC1	REAL300020310753	0	52	-1.0	-47.32	430.46	7.36	-39.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(CC)=NO2)CC1	REAL300020310753	1	52	-1.0	-47.35	430.51	7.39	-39.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020310754	0	54	-1.0	-45.34	438.28	9.05	-36.29
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020310755	0	51	-1.0	-47.33	414.67	8.66	-38.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=CC=NN2C)CC1	REAL300020310755	1	51	-1.0	-47.32	414.72	8.68	-38.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020310756	0	50	-1.0	-42.53	413.31	7.64	-34.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020310756	1	50	-1.0	-42.55	413.25	7.62	-34.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020310757	0	47	-1.0	-44.46	391.56	6.85	-37.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CN(CC)N=C1	REAL300020310757	1	47	-1.0	-44.51	391.50	6.82	-37.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020310758	0	42	-1.0	-43.84	380.25	5.90	-37.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020310758	1	42	-1.0	-43.85	380.31	5.92	-37.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020310759	0	39	-1.0	-43.37	353.40	5.40	-37.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C(C)S1	REAL300020310759	1	39	-1.0	-43.38	353.46	5.43	-37.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C)C2	REAL300020310760	0	42	-1.0	-41.64	344.89	7.45	-34.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C)C2	REAL300020310760	1	42	-1.0	-41.68	344.94	7.47	-34.21
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020310761	0	46	-1.0	-42.03	377.14	9.34	-32.69
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1(C)C2	REAL300020310761	1	46	-1.0	-41.98	377.27	9.33	-32.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020310762	0	47	-1.0	-40.94	390.32	5.36	-35.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020310762	1	47	-1.0	-40.91	390.37	5.37	-35.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020310763	0	44	-1.0	-46.75	370.77	4.96	-41.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=C(O)C=C2C1	REAL300020310763	1	44	-1.0	-46.71	370.72	4.94	-41.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020310764	0	49	-1.0	-42.66	410.53	9.21	-33.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300020310764	1	49	-1.0	-42.71	410.58	9.22	-33.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020310765	0	43	-1.0	-41.47	371.44	8.55	-32.92
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020310765	1	43	-1.0	-41.46	371.49	8.57	-32.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CCSC1	REAL300020310766	0	40	-1.0	-41.69	353.88	7.86	-33.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CCSC1	REAL300020310766	1	40	-1.0	-41.73	353.83	7.83	-33.90
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CCSC1	REAL300020310767	0	47	-1.0	-42.77	401.98	10.61	-32.16
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CCSC1	REAL300020310767	1	47	-1.0	-42.77	402.04	10.61	-32.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020310768	0	46	-1.0	-41.20	363.78	6.22	-34.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020310768	1	46	-1.0	-41.16	363.84	6.23	-34.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCC2C1	REAL300020310769	0	43	-1.0	-43.35	351.78	6.16	-37.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCC2C1	REAL300020310769	1	43	-1.0	-43.36	351.84	6.17	-37.19
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020310770	0	50	-1.0	-42.82	390.96	8.13	-34.69
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCC2C1	REAL300020310770	1	50	-1.0	-42.77	390.98	8.13	-34.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020310771	0	51	-1.0	-40.98	409.92	9.94	-31.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020310771	1	51	-1.0	-40.97	409.97	9.95	-31.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020310772	0	48	-1.0	-44.18	390.27	9.30	-34.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1CC1)CC1CC1	REAL300020310772	1	48	-1.0	-44.17	390.32	9.31	-34.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)CC1	REAL300020310773	0	51	-1.0	-40.66	416.21	7.76	-32.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)CC1	REAL300020310773	1	51	-1.0	-40.71	416.26	7.77	-32.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCOC)CC1	REAL300020310774	0	48	-1.0	-43.77	391.55	7.08	-36.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCOC)CC1	REAL300020310774	1	48	-1.0	-43.81	391.61	7.11	-36.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020310775	0	47	-1.0	-45.57	400.82	6.73	-38.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020310775	1	47	-1.0	-45.52	400.76	6.71	-38.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020310776	0	44	-1.0	-48.11	379.32	5.95	-42.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NC=CN=N2)CC1	REAL300020310776	1	44	-1.0	-48.14	379.27	5.93	-42.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300020310777	0	48	-1.0	-43.59	411.65	10.20	-33.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300020310777	1	48	-1.0	-43.56	411.71	10.23	-33.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020310778	0	50	-1.0	-49.02	409.21	7.36	-41.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020310778	1	50	-1.0	-49.04	409.27	7.38	-41.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020310779	0	47	-1.0	-52.51	388.86	6.62	-45.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CCOC2=O)CC1	REAL300020310779	1	47	-1.0	-52.53	388.92	6.64	-45.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(CC)CCCCCC	REAL300020310780	0	61	-1.0	-40.41	474.71	12.42	-27.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(CC)CCCCCC	REAL300020310780	1	61	-1.0	-40.44	474.77	12.44	-28.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(CC)CCCCCC	REAL300020310781	0	58	-1.0	-41.39	459.39	11.73	-29.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(CC)CCCCCC	REAL300020310781	1	58	-1.0	-41.39	459.44	11.76	-29.63
C#CCCN(CCOC)C1=NN=C(CCC2=N[N-]N=N2)N1CCC#C	REAL300020310782	0	46	-1.0	-42.46	391.34	6.44	-36.02
C#CCCN(CCOC)C1=NN=C(CCC2=NN=N[N-]2)N1CCC#C	REAL300020310782	1	46	-1.0	-42.53	391.39	6.45	-36.08
C#CCCN(CCOC)C1=NN=C(CC2=NN=N[N-]2)N1CCC#C	REAL300020310783	0	43	-1.0	-44.85	369.87	5.67	-39.18
C#CCCN(CCOC)C1=NN=C(CC2=N[N-]N=N2)N1CCC#C	REAL300020310783	1	43	-1.0	-44.87	369.82	5.65	-39.22
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC#C	REAL300020310784	0	50	-1.0	-43.59	419.21	8.48	-35.11
C#CCCN(CCOC)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC#C	REAL300020310784	1	50	-1.0	-43.62	419.25	8.47	-35.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020310785	0	45	-1.0	-41.12	368.54	8.81	-32.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020310785	1	45	-1.0	-41.12	368.60	8.83	-32.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020310786	0	42	-1.0	-45.19	351.44	8.84	-36.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020310786	1	42	-1.0	-45.16	351.38	8.82	-36.34
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020310787	0	49	-1.0	-41.89	405.19	10.34	-31.55
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=CC=C2[C@H]1C	REAL300020310787	1	49	-1.0	-41.85	405.25	10.33	-31.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020310788	0	52	-1.0	-40.60	410.43	7.33	-33.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020310788	1	52	-1.0	-40.57	410.48	7.34	-33.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020310789	0	49	-1.0	-42.91	393.05	6.77	-36.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)OCC1C	REAL300020310789	1	49	-1.0	-42.89	393.10	6.80	-36.09
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020310790	0	57	-1.0	-40.31	437.83	11.13	-29.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020310790	1	57	-1.0	-40.27	437.89	11.14	-29.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020310791	0	54	-1.0	-42.08	418.71	10.42	-31.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCCCC2)C1	REAL300020310791	1	54	-1.0	-42.09	418.77	10.44	-31.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(Cl)=C1)CC(C)C	REAL300020310792	0	50	-1.0	-48.48	425.61	10.18	-38.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(Cl)=C1)CC(C)C	REAL300020310792	1	50	-1.0	-48.48	425.67	10.20	-38.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020310793	0	51	-1.0	-42.40	403.68	10.68	-31.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020310793	1	51	-1.0	-42.42	403.74	10.70	-31.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020310794	0	48	-1.0	-45.03	389.96	9.82	-35.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CC2=CC=CC=C21	REAL300020310794	1	48	-1.0	-45.03	389.90	9.79	-35.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020310795	0	49	-1.0	-42.52	404.78	10.34	-32.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020310795	1	49	-1.0	-42.58	404.84	10.36	-32.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020310796	0	46	-1.0	-46.52	383.38	9.60	-36.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1(C1=CC=CC=C1)C2	REAL300020310796	1	46	-1.0	-46.51	383.32	9.57	-36.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020310797	0	49	-1.0	-44.90	414.08	5.22	-39.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020310797	1	49	-1.0	-44.93	414.14	5.24	-39.69
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020310798	0	46	-1.0	-46.11	389.43	4.55	-41.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC(=O)OC)CC1	REAL300020310798	1	46	-1.0	-46.14	389.49	4.57	-41.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020310799	0	53	-1.0	-40.26	422.88	9.32	-30.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020310799	1	53	-1.0	-40.26	422.93	9.34	-30.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020310800	0	50	-1.0	-42.04	401.96	8.31	-33.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CC2)(C2CC2)C1	REAL300020310800	1	50	-1.0	-42.03	402.01	8.34	-33.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020310801	0	53	-1.0	-42.00	434.82	7.25	-34.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020310801	1	53	-1.0	-41.95	434.88	7.27	-34.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020310802	0	50	-1.0	-44.30	413.53	6.41	-37.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=C(C)N=C1OC	REAL300020310802	1	50	-1.0	-44.36	413.59	6.44	-37.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C3COCC3C2C1	REAL300020310803	0	47	-1.0	-41.22	377.03	7.13	-34.09
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C3COCC3C2C1	REAL300020310803	1	47	-1.0	-41.23	377.08	7.15	-34.08
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020310827	0	40	-1.0	-49.17	336.20	4.08	-45.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020310827	1	40	-1.0	-49.22	336.14	4.06	-45.16
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020310828	0	47	-1.0	-43.83	399.42	7.81	-36.02
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=NC=CN=C2C1	REAL300020310828	1	47	-1.0	-43.86	399.46	7.80	-36.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020310829	0	45	-1.0	-40.83	372.42	8.19	-32.64
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2[C@@H]1C	REAL300020310830	0	42	-1.0	-43.50	356.80	8.73	-34.77
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020310866	0	49	-1.0	-46.11	419.18	10.53	-35.58
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020310867	0	46	-1.0	-50.19	391.65	9.88	-40.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC#N)C=CC=C2C1	REAL300020310867	1	46	-1.0	-50.11	391.55	9.86	-40.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020310868	0	46	-1.0	-46.57	387.62	3.52	-43.05
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC(N)=O)C1	REAL300020310869	1	43	-1.0	-46.71	370.56	2.68	-44.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(CC)C=C2)CC1	REAL300020310870	0	54	-1.0	-43.29	437.30	11.78	-31.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(CC)C=C2)CC1	REAL300020310870	1	54	-1.0	-43.31	437.36	11.81	-31.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCOCC2)CC1	REAL300020310871	0	58	0.0	-66.26	421.64	7.39	-58.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCOCC2)CC1	REAL300020310871	1	58	0.0	-66.26	421.70	7.41	-58.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020310872	0	48	-1.0	-44.28	387.23	12.14	-32.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020310872	1	48	-1.0	-44.28	387.29	12.15	-32.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020310873	0	45	-1.0	-47.13	369.69	11.51	-35.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)(C)C2=CC=CC=C21	REAL300020310873	1	45	-1.0	-47.09	369.64	11.49	-35.60
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020310874	0	52	-1.0	-40.64	401.43	9.51	-31.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020310874	1	52	-1.0	-40.63	401.49	9.52	-31.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020310875	0	49	-1.0	-42.84	385.45	8.92	-33.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSCC2)CC1	REAL300020310875	1	49	-1.0	-42.86	385.51	8.94	-33.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020310876	0	56	0.0	-68.78	400.80	8.58	-60.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020310876	1	56	0.0	-68.74	400.86	8.59	-60.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020310877	0	53	0.0	-66.38	388.62	8.07	-58.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+](C)C)CC1	REAL300020310877	1	53	0.0	-66.44	388.68	8.09	-58.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020310878	0	44	-1.0	-40.39	358.71	6.81	-33.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020310878	1	44	-1.0	-40.36	358.77	6.83	-33.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC1C	REAL300020310879	0	41	-1.0	-43.46	343.68	6.41	-37.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC1C	REAL300020310879	1	41	-1.0	-43.49	343.74	6.42	-37.07
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)CC1C	REAL300020310880	0	48	-1.0	-42.53	398.11	9.26	-33.27
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)CC1C	REAL300020310880	1	48	-1.0	-42.57	398.14	9.25	-33.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020310881	0	46	-1.0	-41.46	391.08	6.74	-34.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020310881	1	46	-1.0	-41.43	391.14	6.76	-34.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020310882	0	43	-1.0	-44.48	363.49	6.10	-38.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(O)C=CC=C2C1	REAL300020310882	1	43	-1.0	-44.51	363.43	6.08	-38.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020310883	0	57	0.0	-63.73	428.49	9.56	-54.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020310883	1	57	0.0	-63.80	428.55	9.58	-54.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020310884	0	54	0.0	-63.20	407.34	8.80	-54.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCC2)CC1	REAL300020310884	1	54	0.0	-63.16	407.40	8.82	-54.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020310885	0	45	-1.0	-43.66	384.75	4.71	-38.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020310885	1	45	-1.0	-43.68	384.80	4.72	-38.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020310886	0	42	-1.0	-46.35	357.93	4.03	-42.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CO)[C@H](C(F)(F)F)C1	REAL300020310886	1	42	-1.0	-46.38	358.00	4.06	-42.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020310887	0	50	-1.0	-43.13	422.18	8.83	-34.30
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020310888	0	47	-1.0	-45.84	400.40	8.23	-37.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)CC1	REAL300020310888	1	47	-1.0	-45.83	400.46	8.25	-37.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020310889	0	60	0.0	-63.67	434.52	9.71	-53.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020310889	1	60	0.0	-63.70	434.57	9.73	-53.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020310890	0	57	0.0	-62.89	416.13	9.04	-53.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCC2)CC1	REAL300020310890	1	57	0.0	-62.84	416.18	9.07	-53.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300020310891	0	53	-1.0	-50.04	416.78	7.16	-42.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300020310891	1	53	-1.0	-50.03	416.84	7.18	-42.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(OCC)CC1	REAL300020310892	0	47	-1.0	-39.59	395.39	6.18	-33.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(OCC)CC1	REAL300020310892	1	47	-1.0	-39.60	395.45	6.20	-33.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(OCC)CC1	REAL300020310893	0	44	-1.0	-41.47	373.90	5.40	-36.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(OCC)CC1	REAL300020310893	1	44	-1.0	-41.48	373.96	5.42	-36.06
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN(OCC)CC1	REAL300020310894	0	51	-1.0	-40.96	423.75	8.18	-32.78
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(OCC)CC1	REAL300020310894	1	51	-1.0	-40.97	423.79	8.17	-32.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020310895	0	47	-1.0	-40.87	389.12	8.85	-32.02
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020310895	1	47	-1.0	-40.86	389.18	8.86	-32.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCF)CC1	REAL300020310896	0	44	-1.0	-42.96	367.62	8.06	-34.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCF)CC1	REAL300020310896	1	44	-1.0	-42.91	367.67	8.09	-34.82
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCF)CC1	REAL300020310897	0	51	-1.0	-42.19	415.92	10.77	-31.42
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCF)CC1	REAL300020310897	1	51	-1.0	-42.13	415.95	10.76	-31.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COCC)C1	REAL300020310898	0	49	-1.0	-41.39	406.54	6.07	-35.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COCC)C1	REAL300020310898	1	49	-1.0	-41.40	406.60	6.08	-35.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COCC)C1	REAL300020310899	0	46	-1.0	-43.61	385.73	5.31	-38.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COCC)C1	REAL300020310899	1	46	-1.0	-43.59	385.78	5.33	-38.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020310900	0	57	0.0	-68.30	443.33	7.69	-60.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC[NH+](C)CC1	REAL300020310900	1	57	0.0	-68.31	443.39	7.72	-60.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020310901	0	45	-1.0	-41.93	383.40	8.94	-32.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020310901	1	45	-1.0	-41.90	383.46	8.95	-32.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020310902	0	42	-1.0	-45.09	350.34	8.36	-36.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(C(F)(F)F)C1	REAL300020310902	1	42	-1.0	-45.09	350.39	8.38	-36.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020310903	0	58	0.0	-66.67	431.27	7.71	-58.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020310903	1	57	-1.0	-40.06	433.12	5.68	-34.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020310903	1	57	-1.0	-40.04	433.18	5.70	-34.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCOCC2)CC1	REAL300020310904	0	55	0.0	-65.47	413.51	7.07	-58.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020310904	1	54	-1.0	-42.58	407.91	5.01	-37.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)CC1	REAL300020310904	1	54	-1.0	-42.61	407.97	5.04	-37.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(SC)CC1	REAL300020310905	0	45	-1.0	-40.07	380.73	8.56	-31.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(SC)CC1	REAL300020310905	1	45	-1.0	-40.10	380.79	8.58	-31.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(SC)CC1	REAL300020310906	0	42	-1.0	-43.02	358.95	7.96	-35.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(SC)CC1	REAL300020310906	1	42	-1.0	-43.06	359.00	7.98	-35.08
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(SC)CC1	REAL300020310907	0	49	-1.0	-42.03	401.29	10.53	-31.50
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(SC)CC1	REAL300020310907	1	49	-1.0	-42.02	401.31	10.53	-31.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020310908	0	51	-1.0	-43.42	406.49	9.60	-33.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)C1(C)C	REAL300020310908	1	51	-1.0	-43.40	406.54	9.62	-33.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020310909	0	56	-1.0	-39.65	430.11	12.54	-27.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020310909	1	56	-1.0	-39.63	430.17	12.56	-27.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020310910	0	53	-1.0	-40.84	408.23	11.76	-29.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C1CCCCC1	REAL300020310910	1	53	-1.0	-40.82	408.28	11.78	-29.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020310911	0	45	-1.0	-43.94	377.59	3.97	-39.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020310911	1	45	-1.0	-43.98	377.65	3.98	-40.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020310912	0	42	-1.0	-46.51	361.71	3.42	-43.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020310912	1	42	-1.0	-46.53	361.65	3.40	-43.13
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020310913	0	49	-1.0	-45.03	400.34	5.95	-39.08
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)[C@H]1C[C@@H](C(N)=O)C1	REAL300020310913	1	49	-1.0	-45.02	400.37	5.94	-39.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020310914	0	48	-1.0	-50.95	391.53	6.66	-44.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020310914	1	48	-1.0	-50.94	391.59	6.67	-44.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020310915	0	45	-1.0	-51.63	362.42	5.82	-45.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C(=O)N(C)C	REAL300020310915	1	45	-1.0	-51.65	362.36	5.80	-45.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020310916	0	45	-1.0	-46.81	366.68	8.12	-38.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020310916	1	45	-1.0	-46.76	366.74	8.13	-38.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCCC1C#N	REAL300020310917	0	42	-1.0	-46.88	355.39	7.34	-39.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCCC1C#N	REAL300020310917	1	42	-1.0	-46.87	355.33	7.32	-39.55
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCCC1C#N	REAL300020310918	0	49	-1.0	-44.79	403.40	10.48	-34.31
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCCC1C#N	REAL300020310918	1	49	-1.0	-44.81	403.46	10.46	-34.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020310919	0	49	-1.0	-51.40	408.59	6.19	-45.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC(N)=O)C=CC=C2C1	REAL300020310919	1	49	-1.0	-51.35	408.53	6.17	-45.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020310920	0	49	-1.0	-53.62	402.45	7.14	-46.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(NC(C)=O)=C2C1	REAL300020310920	1	49	-1.0	-53.58	402.39	7.11	-46.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020310921	0	52	-1.0	-44.42	392.34	6.72	-37.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020310921	1	52	-1.0	-44.40	392.40	6.74	-37.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020310922	0	49	-1.0	-48.40	370.73	5.94	-42.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	REAL300020310922	1	49	-1.0	-48.43	370.78	5.96	-42.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020310923	0	48	-1.0	-41.33	401.75	8.49	-32.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020310923	1	48	-1.0	-41.30	401.81	8.50	-32.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020310924	0	45	-1.0	-42.66	386.56	7.63	-35.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(OC)C=C1	REAL300020310924	1	45	-1.0	-42.71	386.52	7.61	-35.10
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020310925	0	43	-1.0	-41.34	351.55	6.69	-34.65
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020310925	1	43	-1.0	-41.30	351.61	6.70	-34.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(C1)O2	REAL300020310926	0	40	-1.0	-43.98	329.84	6.11	-37.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(C1)O2	REAL300020310926	1	40	-1.0	-43.93	329.78	6.09	-37.84
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020310927	0	47	-1.0	-42.53	382.76	8.55	-33.98
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CCC(C1)O2	REAL300020310927	1	47	-1.0	-42.51	382.80	8.55	-33.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020310928	0	50	-1.0	-42.95	426.20	6.60	-36.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020310928	1	50	-1.0	-42.89	426.25	6.62	-36.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020310929	0	47	-1.0	-45.44	398.82	5.77	-39.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(COC)=NC=C2C1	REAL300020310929	1	47	-1.0	-45.44	398.87	5.79	-39.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020310930	0	50	-1.0	-43.34	406.13	8.19	-35.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020310930	1	50	-1.0	-43.36	406.19	8.20	-35.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020310931	0	47	-1.0	-43.05	384.36	7.41	-35.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](C)[C@@](C)(C(=O)OC)C1	REAL300020310931	1	47	-1.0	-43.05	384.42	7.43	-35.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020310932	0	54	0.0	-79.60	432.76	10.50	-69.10
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020310932	1	54	0.0	-79.60	432.70	10.48	-69.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020310933	0	51	0.0	-80.43	410.60	9.97	-70.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300020310933	1	51	0.0	-80.44	410.55	9.94	-70.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020310934	0	48	-1.0	-41.11	398.70	7.73	-33.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020310934	1	48	-1.0	-41.11	398.76	7.75	-33.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020310935	0	45	-1.0	-43.32	377.61	7.00	-36.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC)(C(F)(F)F)C1	REAL300020310935	1	45	-1.0	-43.34	377.66	7.03	-36.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020310936	0	45	-1.0	-41.60	379.09	6.60	-35.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020310936	1	45	-1.0	-41.58	379.15	6.62	-34.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCF)C1	REAL300020310937	0	42	-1.0	-43.46	361.34	5.95	-37.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCF)C1	REAL300020310937	1	42	-1.0	-43.43	361.40	5.98	-37.45
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCF)C1	REAL300020310938	0	49	-1.0	-43.29	406.38	8.88	-34.41
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCF)C1	REAL300020310938	1	49	-1.0	-43.26	406.42	8.87	-34.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020310939	0	52	-1.0	-42.90	414.76	11.21	-31.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020310939	1	52	-1.0	-42.94	414.82	11.22	-31.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020310940	0	49	-1.0	-45.96	389.03	10.48	-35.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](C[C@@H]2C2=CC=CC=C2)C1	REAL300020310940	1	49	-1.0	-45.98	389.08	10.51	-35.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)CCC1C	REAL300020310941	0	48	-1.0	-40.94	393.61	6.35	-34.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)CCC1C	REAL300020310941	1	48	-1.0	-40.92	393.67	6.36	-34.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)CCC1C	REAL300020310942	0	45	-1.0	-44.04	372.31	5.58	-38.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)CCC1C	REAL300020310942	1	45	-1.0	-43.99	372.25	5.56	-38.43
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)CCC1C	REAL300020310943	0	52	-1.0	-41.77	421.81	8.30	-33.47
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)CCC1C	REAL300020310943	1	52	-1.0	-41.79	421.85	8.29	-33.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020310944	0	51	-1.0	-45.26	420.68	8.17	-37.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N(C1CC(C)C1)N=N2	REAL300020310944	1	51	-1.0	-45.21	420.76	8.20	-37.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(OC)C=C1	REAL300020310945	0	54	-1.0	-43.59	435.94	8.72	-34.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(OC)C=C1	REAL300020310945	1	54	-1.0	-43.61	436.00	8.73	-34.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(OC)C=C1	REAL300020310946	0	51	-1.0	-45.65	417.01	8.06	-37.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(OC)C=C1	REAL300020310946	1	51	-1.0	-45.63	416.96	8.03	-37.60
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020310947	0	50	-1.0	-41.30	423.37	9.15	-32.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020310947	1	50	-1.0	-41.30	423.43	9.16	-32.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020310948	0	47	-1.0	-43.93	397.52	8.58	-35.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(C3CC3)=NC=C2C1	REAL300020310948	1	47	-1.0	-43.92	397.58	8.59	-35.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020310949	0	44	-1.0	-46.40	378.91	4.22	-42.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020310949	1	44	-1.0	-46.37	378.96	4.23	-42.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020310950	0	41	-1.0	-47.99	357.24	3.60	-44.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS(=O)(=O)[C@H](C)C1	REAL300020310950	1	41	-1.0	-48.05	357.30	3.63	-44.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020310951	0	48	-1.0	-41.93	382.74	5.77	-36.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020310951	1	48	-1.0	-41.95	382.82	5.78	-36.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020310952	0	45	-1.0	-43.10	381.47	5.64	-37.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C#N)C1	REAL300020310952	1	45	-1.0	-43.11	381.53	5.66	-37.45
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020310953	0	46	-1.0	-43.93	382.66	7.80	-36.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020310953	1	46	-1.0	-43.93	382.72	7.82	-36.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020310954	0	43	-1.0	-47.36	361.23	7.04	-40.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020310954	1	43	-1.0	-47.39	361.17	7.02	-40.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C)N=C1	REAL300020310955	0	38	-1.0	-47.62	332.24	7.43	-40.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C)N=C1	REAL300020310955	1	38	-1.0	-47.62	332.19	7.41	-40.21
C#CCCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020310956	0	42	-1.0	-48.88	365.43	9.51	-39.37
C#CCCN1C(NC2=CN(C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020310956	1	42	-1.0	-48.85	365.46	9.52	-39.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020310957	0	49	-1.0	-41.69	413.74	9.16	-32.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020310957	1	49	-1.0	-41.67	413.79	9.17	-32.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020310958	0	46	-1.0	-43.77	394.96	8.46	-35.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300020310958	1	46	-1.0	-43.73	395.01	8.49	-35.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020310959	0	44	-1.0	-40.99	379.93	8.53	-32.46
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020310959	1	44	-1.0	-41.01	379.99	8.54	-32.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020310960	0	41	-1.0	-42.44	354.87	7.63	-34.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(F)(F)F)C1	REAL300020310960	1	41	-1.0	-42.45	354.92	7.65	-34.80
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=CC=C2OC)C1	REAL300020310961	1	50	-1.0	-45.27	419.90	7.71	-37.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020310962	0	46	-1.0	-41.84	361.23	8.45	-33.39
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020310963	0	43	-1.0	-44.21	341.89	8.69	-35.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC=CC[C@@H]2C1	REAL300020310963	1	43	-1.0	-44.16	341.83	8.67	-35.49
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(OC)C=C2)C1	REAL300020310966	0	50	-1.0	-44.39	421.64	7.57	-36.82
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020310967	1	45	-1.0	-46.78	374.17	5.45	-41.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020310968	0	42	-1.0	-49.33	352.04	4.90	-44.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1	REAL300020310968	1	42	-1.0	-49.35	352.09	4.92	-44.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020310969	0	51	-1.0	-41.16	423.19	11.05	-30.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020310969	1	51	-1.0	-41.17	423.25	11.07	-30.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020310970	0	48	-1.0	-44.04	400.80	10.41	-33.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300020310970	1	48	-1.0	-44.02	400.86	10.43	-33.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020310971	0	50	-1.0	-50.36	397.66	5.33	-45.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020310971	1	50	-1.0	-50.36	397.72	5.34	-45.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020310972	0	47	-1.0	-54.61	379.87	4.80	-49.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2OCCN(C(C)=O)C2C1	REAL300020310972	1	47	-1.0	-54.59	379.93	4.83	-49.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020310973	0	46	-1.0	-40.50	383.55	8.97	-31.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020310973	1	46	-1.0	-40.53	383.61	8.98	-31.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CSCC2C1	REAL300020310974	0	43	-1.0	-41.97	365.73	8.32	-33.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CSCC2C1	REAL300020310974	1	43	-1.0	-42.02	365.79	8.35	-33.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020310975	0	47	-1.0	-39.48	405.19	9.52	-29.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020310975	1	47	-1.0	-39.44	405.25	9.53	-29.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020310976	0	44	-1.0	-41.83	383.57	9.02	-32.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=C(Cl)C=C1	REAL300020310976	1	44	-1.0	-41.81	383.52	9.00	-32.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020310977	0	51	-1.0	-42.41	412.89	9.00	-33.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020310977	1	51	-1.0	-42.41	412.95	9.02	-33.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020310978	0	48	-1.0	-47.49	386.32	8.30	-39.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1OC	REAL300020310978	1	48	-1.0	-47.49	386.27	8.29	-39.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020310979	0	51	0.0	-66.49	397.35	8.47	-58.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020310979	1	51	0.0	-69.03	386.87	8.11	-60.92
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020310979	1	51	0.0	-66.51	397.41	8.48	-58.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020310979	1	51	0.0	-68.99	386.92	8.13	-60.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020310980	0	48	0.0	-65.86	379.64	7.80	-58.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020310980	1	48	0.0	-65.56	384.29	8.02	-57.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@H+]2C)C1	REAL300020310980	1	48	0.0	-65.87	379.70	7.82	-58.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC[N@@H+]2C)C1	REAL300020310980	1	48	0.0	-65.59	384.34	8.04	-57.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020310981	0	48	-1.0	-44.89	410.36	8.15	-36.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)C=C2)CC1	REAL300020310981	1	48	-1.0	-44.89	410.42	8.18	-36.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020310982	0	50	-1.0	-41.42	413.81	8.48	-32.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020310982	1	50	-1.0	-41.40	413.87	8.49	-32.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020310983	0	47	-1.0	-43.21	396.04	7.83	-35.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300020310983	1	47	-1.0	-43.22	396.10	7.86	-35.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020310984	0	51	-1.0	-43.43	407.49	9.90	-33.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2F)C1(C)C	REAL300020310984	1	51	-1.0	-43.46	407.55	9.93	-33.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020310985	0	59	0.0	-66.08	451.19	7.60	-58.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020310985	1	59	0.0	-66.07	451.24	7.62	-58.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020310986	0	56	0.0	-66.87	428.80	7.20	-59.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([NH+]2CCN(C)CC2)CC1	REAL300020310986	1	56	0.0	-66.89	428.85	7.21	-59.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020310987	0	47	-1.0	-43.84	403.17	8.03	-35.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300020310987	1	47	-1.0	-43.80	403.23	8.06	-35.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC#N)CC1	REAL300020310989	0	44	-1.0	-46.67	376.91	5.37	-41.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC#N)CC1	REAL300020310989	1	44	-1.0	-46.64	376.97	5.40	-41.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020310990	0	49	-1.0	-50.37	412.29	7.95	-42.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020310990	1	49	-1.0	-50.37	412.35	7.96	-42.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020310991	0	46	-1.0	-52.31	388.32	7.78	-44.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)C(=O)C1	REAL300020310991	1	46	-1.0	-52.24	388.38	7.79	-44.45
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020310992	0	53	0.0	-66.54	395.41	8.85	-57.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020310992	1	53	0.0	-65.52	400.81	8.77	-56.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020310992	1	53	0.0	-66.53	395.47	8.87	-57.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020310992	1	53	0.0	-65.53	400.87	8.79	-56.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020310993	0	50	0.0	-62.01	388.91	8.29	-53.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020310993	1	50	0.0	-61.61	386.22	7.88	-53.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)[C@@H](C(C)C)C1	REAL300020310993	1	50	0.0	-62.04	388.96	8.31	-53.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)[C@@H](C(C)C)C1	REAL300020310993	1	50	0.0	-61.62	386.28	7.91	-53.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020310994	0	53	-1.0	-49.26	426.84	9.54	-39.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](C(=O)OC(C)(C)C)C1	REAL300020310994	1	53	-1.0	-49.27	426.90	9.56	-39.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020310995	0	55	-1.0	-42.96	423.15	8.99	-33.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020310995	1	55	-1.0	-43.00	423.21	9.00	-34.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020310996	0	52	-1.0	-46.02	400.88	8.48	-37.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC2CCC2)CC1	REAL300020310996	1	52	-1.0	-46.04	400.93	8.50	-37.54
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020310997	0	51	-1.0	-40.94	424.70	10.83	-30.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020310997	1	51	-1.0	-40.97	424.76	10.85	-30.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020310998	0	48	-1.0	-42.67	403.22	10.06	-32.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300020310998	1	48	-1.0	-42.67	403.28	10.08	-32.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020310999	0	49	-1.0	-43.58	422.46	6.77	-36.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020310999	1	49	-1.0	-43.59	422.51	6.78	-36.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020311000	0	46	-1.0	-47.12	391.46	5.86	-41.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(=O)OC)=NO2)C1	REAL300020311000	1	46	-1.0	-47.11	391.52	5.88	-41.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020311001	0	45	-1.0	-40.73	384.11	7.02	-33.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020311001	1	45	-1.0	-40.73	384.17	7.04	-33.69
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020311002	0	42	-1.0	-42.94	351.40	5.64	-37.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(F)(F)F)C1	REAL300020311002	1	42	-1.0	-42.93	351.46	5.66	-37.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020311003	0	42	-1.0	-47.37	371.48	5.67	-41.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020311003	1	42	-1.0	-47.38	371.54	5.68	-41.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC(F)F)C1	REAL300020311004	0	39	-1.0	-50.44	346.59	5.09	-45.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC(F)F)C1	REAL300020311004	1	39	-1.0	-50.40	346.65	5.11	-45.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OCC)C1	REAL300020311005	0	51	-1.0	-44.78	423.35	8.06	-36.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OCC)C1	REAL300020311005	1	51	-1.0	-44.82	423.41	8.07	-36.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OCC)C1	REAL300020311006	0	48	-1.0	-48.02	401.96	7.26	-40.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OCC)C1	REAL300020311006	1	48	-1.0	-47.97	402.01	7.29	-40.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020311007	0	48	-1.0	-44.90	409.39	10.24	-34.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020311007	1	48	-1.0	-44.91	409.45	10.26	-34.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020311008	0	45	-1.0	-46.32	400.37	9.53	-36.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=CC(C#N)=C1	REAL300020311008	1	45	-1.0	-46.33	400.42	9.56	-36.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020311009	0	41	-1.0	-43.58	364.90	9.54	-34.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020311009	1	41	-1.0	-43.59	364.85	9.52	-34.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCF)C=C1	REAL300020311010	0	38	-1.0	-45.28	343.43	8.76	-36.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCF)C=C1	REAL300020311010	1	38	-1.0	-45.27	343.36	8.73	-36.54
C#CCCN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020311011	0	45	-1.0	-45.15	393.31	11.47	-33.68
C#CCCN1C(NC2=NN(CCF)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020311011	1	45	-1.0	-45.13	393.27	11.49	-33.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020311012	0	48	-1.0	-41.73	380.12	5.03	-36.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020311012	1	48	-1.0	-41.75	380.18	5.05	-36.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)CC1C	REAL300020311013	0	45	-1.0	-44.12	358.42	4.42	-39.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)CC1C	REAL300020311013	1	45	-1.0	-44.15	358.47	4.44	-39.71
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CO)CC1C	REAL300020311014	0	52	-1.0	-42.80	403.93	7.24	-35.56
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CO)CC1C	REAL300020311014	1	52	-1.0	-42.73	403.96	7.23	-35.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020311015	0	57	-1.0	-43.88	437.34	9.20	-34.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020311015	1	57	-1.0	-43.90	437.39	9.22	-34.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020311016	0	54	-1.0	-43.06	431.26	8.42	-34.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN(C(=O)CC(C)C)CC1	REAL300020311016	1	54	-1.0	-43.06	431.32	8.44	-34.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020311017	0	46	-1.0	-43.93	382.66	7.80	-36.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020311017	1	46	-1.0	-43.93	382.72	7.82	-36.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020311018	0	43	-1.0	-47.36	361.23	7.04	-40.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(OC)=C2C1	REAL300020311018	1	43	-1.0	-47.39	361.17	7.02	-40.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020311019	0	45	-1.0	-45.10	366.64	11.72	-33.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020311019	1	45	-1.0	-45.08	366.70	11.73	-33.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020311020	0	42	-1.0	-48.37	344.55	11.21	-37.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020311020	1	42	-1.0	-48.33	344.49	11.18	-37.15
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020311021	0	49	-1.0	-45.87	399.03	13.79	-32.08
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C)C=CC=C21	REAL300020311021	1	49	-1.0	-45.84	399.04	13.78	-32.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020311022	0	44	-2.0	-86.02	391.94	3.69	-82.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020311022	1	44	-2.0	-86.11	392.00	3.72	-82.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020311022	1	45	-1.0	-42.63	387.85	4.95	-37.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(NC(=O)C(F)(F)F)C1	REAL300020311022	1	45	-1.0	-42.59	387.91	4.98	-37.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020311023	0	48	-1.0	-42.53	402.00	9.54	-32.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020311023	1	48	-1.0	-42.56	402.06	9.56	-33.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020311024	0	45	-1.0	-44.60	380.01	8.70	-35.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(C)=C2C1	REAL300020311024	1	45	-1.0	-44.58	379.95	8.67	-35.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020311025	0	53	-1.0	-45.89	427.32	9.33	-36.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(=O)OC(C)(C)C)C1	REAL300020311025	1	53	-1.0	-45.93	427.38	9.35	-36.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020311026	0	62	0.0	-63.23	452.75	9.80	-53.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020311026	1	62	0.0	-63.20	452.81	9.81	-53.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020311027	0	59	0.0	-66.32	444.71	9.45	-56.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(C)C)CC1CC[NH+](C)CC1	REAL300020311027	1	59	0.0	-66.33	444.77	9.48	-56.85
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020311028	0	51	-1.0	-45.59	426.48	5.03	-40.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCC2=CN=CC=N2)CC1	REAL300020311028	1	51	-1.0	-45.59	426.54	5.05	-40.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300020311028	1	52	0.0	-69.27	424.11	7.32	-61.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020311029	0	42	-1.0	-39.86	344.69	7.20	-32.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020311029	1	42	-1.0	-39.88	344.75	7.22	-32.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCS[C@H](C)C1	REAL300020311030	0	39	-1.0	-41.87	338.29	7.32	-34.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCS[C@H](C)C1	REAL300020311030	1	39	-1.0	-41.86	338.23	7.30	-34.56
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCS[C@H](C)C1	REAL300020311031	0	46	-1.0	-40.60	391.28	9.78	-30.82
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCS[C@H](C)C1	REAL300020311031	1	46	-1.0	-40.58	391.31	9.77	-30.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020311032	0	44	-1.0	-41.32	370.02	6.23	-35.09
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020311032	1	44	-1.0	-41.32	370.08	6.25	-35.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020311033	0	41	-1.0	-44.41	343.04	5.54	-38.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020311033	1	41	-1.0	-44.36	343.10	5.55	-38.81
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020311034	0	48	-1.0	-41.64	400.15	8.36	-33.28
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2(C1)OCC1CC12	REAL300020311034	1	48	-1.0	-41.60	400.19	8.34	-33.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020311035	0	49	-1.0	-41.29	406.85	7.57	-33.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020311035	1	49	-1.0	-41.32	406.91	7.58	-33.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020311035	1	50	0.0	-59.15	400.57	6.81	-52.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020311036	0	46	-1.0	-44.89	377.39	7.03	-37.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=NC=CC=C2C1	REAL300020311036	1	46	-1.0	-44.87	377.45	7.04	-37.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C2=[NH+]C=CC=C2C1	REAL300020311036	1	47	0.0	-47.35	371.88	6.88	-40.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCOCC1	REAL300020311037	0	52	-1.0	-42.45	399.22	6.09	-36.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCOCC1	REAL300020311037	1	52	-1.0	-42.47	399.28	6.10	-36.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)C1CCOCC1	REAL300020311038	0	49	-1.0	-44.01	385.16	5.60	-38.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)C1CCOCC1	REAL300020311038	1	49	-1.0	-44.03	385.23	5.63	-38.40
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C=CC1C2	REAL300020311039	0	40	-1.0	-41.29	335.56	7.46	-33.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C=CC1C2	REAL300020311039	1	40	-1.0	-41.30	335.62	7.47	-33.83
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020311040	0	44	-1.0	-42.39	362.11	9.36	-33.03
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2C=CC1C2	REAL300020311040	1	44	-1.0	-42.35	362.16	9.36	-32.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020311041	0	52	-1.0	-41.52	408.93	8.18	-33.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020311041	1	52	-1.0	-41.50	408.99	8.20	-33.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020311042	0	49	-1.0	-44.79	383.39	7.45	-37.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCCO2)CC1	REAL300020311042	1	49	-1.0	-44.79	383.44	7.47	-37.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020311043	0	49	-1.0	-42.94	388.68	10.28	-32.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020311043	1	49	-1.0	-42.97	388.74	10.29	-32.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020311044	0	46	-1.0	-42.81	372.34	9.75	-33.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@H]1C1=CC=CC=C12	REAL300020311044	1	46	-1.0	-42.84	372.28	9.74	-33.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020311045	0	51	-1.0	-44.18	419.15	7.06	-37.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(OC)=C2)CC1	REAL300020311045	1	51	-1.0	-44.19	419.21	7.09	-37.10
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020311046	0	50	-1.0	-42.38	398.72	6.33	-36.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020311046	1	50	-1.0	-42.36	398.78	6.34	-36.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020311047	0	47	-1.0	-44.93	376.11	5.85	-39.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)COCCO2	REAL300020311047	1	47	-1.0	-44.94	376.18	5.88	-39.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C#C)C1	REAL300020311048	0	46	-1.0	-40.29	378.12	8.97	-31.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C#C)C1	REAL300020311048	1	46	-1.0	-40.28	378.18	8.99	-31.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C#C)C1	REAL300020311049	0	43	-1.0	-42.51	351.00	8.92	-33.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C#C)C1	REAL300020311049	1	43	-1.0	-42.51	350.94	8.90	-33.61
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC(C#C)C1	REAL300020311050	0	50	-1.0	-140.55	418.37	11.72	-128.83
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC(C#C)C1	REAL300020311050	1	50	-1.0	-140.52	418.41	11.71	-128.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020311051	0	52	-1.0	-43.20	419.85	4.76	-38.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020311051	1	52	-1.0	-43.18	419.91	4.77	-38.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020311052	0	49	-1.0	-45.44	405.44	4.41	-41.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCO)CC1=CC=C(OC)C=C1	REAL300020311052	1	49	-1.0	-45.39	405.39	4.39	-41.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020311053	0	58	-1.0	-41.75	431.05	9.31	-32.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020311053	1	58	-1.0	-41.73	431.11	9.32	-32.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020311054	0	55	-1.0	-43.30	424.19	8.52	-34.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC(C2CCOCC2)C1	REAL300020311054	1	55	-1.0	-43.31	424.26	8.55	-34.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020311055	0	40	-1.0	-40.88	364.35	6.92	-33.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020311055	1	40	-1.0	-40.94	364.41	6.93	-34.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NS1	REAL300020311056	0	37	-1.0	-44.69	336.01	6.28	-38.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NS1	REAL300020311056	1	37	-1.0	-44.71	335.95	6.25	-38.46
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CC=NS1	REAL300020311057	0	44	-1.0	-43.96	380.44	8.92	-35.04
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CC=NS1	REAL300020311057	1	44	-1.0	-43.94	380.47	8.91	-35.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020311058	0	41	-1.0	-41.00	340.98	7.36	-33.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020311058	1	41	-1.0	-41.00	341.03	7.37	-33.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CF)C1	REAL300020311059	0	38	-1.0	-43.40	323.04	6.78	-36.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CF)C1	REAL300020311059	1	38	-1.0	-43.37	322.98	6.76	-36.61
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020311060	0	45	-1.0	-41.86	372.94	9.34	-32.52
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CF)C1	REAL300020311060	1	45	-1.0	-41.92	372.97	9.33	-32.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020311061	0	45	-1.0	-41.46	378.48	6.24	-35.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020311061	1	45	-1.0	-41.50	378.53	6.26	-35.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020311062	0	42	-1.0	-41.40	363.70	5.58	-35.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)(C(F)(F)F)C1	REAL300020311062	1	42	-1.0	-41.40	363.75	5.61	-35.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020311063	0	44	-1.0	-39.76	369.24	8.35	-31.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020311063	1	44	-1.0	-39.76	369.30	8.36	-31.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CF)C1	REAL300020311064	0	41	-1.0	-45.55	348.53	7.40	-38.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CF)C1	REAL300020311064	1	41	-1.0	-45.57	348.48	7.38	-38.19
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020311065	0	48	-1.0	-44.69	385.85	10.19	-34.50
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(CF)C1	REAL300020311065	1	48	-1.0	-44.73	385.90	10.18	-34.55
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020311066	0	41	-1.0	-39.65	346.07	7.64	-32.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020311066	1	41	-1.0	-39.63	346.13	7.65	-31.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)CC1	REAL300020311067	0	38	-1.0	-41.16	328.23	6.77	-34.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)CC1	REAL300020311067	1	38	-1.0	-41.14	328.17	6.75	-34.39
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020311068	0	45	-1.0	-40.97	376.47	9.46	-31.51
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)CC1	REAL300020311068	1	45	-1.0	-40.88	376.50	9.45	-31.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020311069	0	49	-1.0	-47.54	397.47	6.94	-40.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020311069	1	49	-1.0	-47.58	397.53	6.95	-40.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020311070	0	46	-1.0	-56.16	369.00	6.09	-50.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CN(C(C)=O)C[C@@H]2C1	REAL300020311070	1	46	-1.0	-56.16	369.06	6.12	-50.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020311071	0	44	-1.0	-44.55	378.58	7.29	-37.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020311071	1	44	-1.0	-44.57	378.63	7.31	-37.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020311072	0	41	-1.0	-47.36	356.48	6.76	-40.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CS2)C1	REAL300020311072	1	41	-1.0	-47.35	356.54	6.78	-40.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020311073	0	54	-1.0	-40.61	426.57	11.20	-29.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020311073	1	54	-1.0	-40.61	426.63	11.21	-29.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020311074	0	51	-1.0	-44.51	390.19	9.67	-34.84
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(C2=CC=CC=C2)C1	REAL300020311074	1	51	-1.0	-44.50	390.24	9.69	-34.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020311075	0	45	-1.0	-40.95	393.90	9.66	-31.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020311075	1	45	-1.0	-40.91	393.96	9.67	-31.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020311076	0	42	-1.0	-46.39	359.28	7.97	-38.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(F)C=C2C1	REAL300020311076	1	42	-1.0	-46.38	359.22	7.96	-38.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020311077	0	51	-1.0	-40.52	402.90	9.78	-30.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020311077	1	51	-1.0	-40.54	402.95	9.80	-30.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020311078	0	48	-1.0	-42.61	386.22	8.96	-33.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(C)C1=CC=CC=C1	REAL300020311078	1	48	-1.0	-42.56	386.16	8.94	-33.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300020311079	0	54	0.0	-61.96	428.31	10.77	-51.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020311079	1	53	-1.0	-42.97	431.53	8.77	-34.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(C)C2=CC=CC=C2)CC1	REAL300020311079	1	53	-1.0	-42.98	431.59	8.79	-34.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1OC	REAL300020311080	0	49	-1.0	-41.83	383.45	4.99	-36.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1OC	REAL300020311080	1	49	-1.0	-41.80	383.51	5.00	-36.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1OC	REAL300020311081	0	46	-1.0	-44.92	360.92	4.49	-40.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1OC	REAL300020311081	1	46	-1.0	-44.89	360.98	4.49	-40.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020311082	0	60	0.0	-63.11	430.74	9.93	-53.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCCCC2)CC1	REAL300020311082	1	60	0.0	-63.06	430.79	9.96	-53.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020311083	0	50	0.0	-66.57	370.62	7.76	-58.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020311083	1	50	0.0	-62.80	390.51	8.38	-54.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020311083	1	49	-1.0	-40.23	385.27	6.20	-34.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020311083	1	49	-1.0	-40.23	385.33	6.21	-34.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020311084	0	47	0.0	-62.29	365.74	7.72	-54.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020311084	1	47	0.0	-60.74	369.00	7.60	-53.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020311084	1	47	0.0	-62.27	365.68	7.69	-54.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020311084	1	47	0.0	-60.74	368.95	7.57	-53.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020311084	1	46	-1.0	-43.02	362.40	5.60	-37.42
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@@H+](C)C(C)(C)C1	REAL300020311085	0	54	0.0	-71.86	402.82	9.77	-62.09
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[N@H+](C)C(C)(C)C1	REAL300020311085	1	54	0.0	-67.53	417.40	10.30	-57.23
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN(C)C(C)(C)C1	REAL300020311085	1	53	-1.0	-41.92	404.92	8.10	-33.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020311086	0	51	-1.0	-41.32	418.26	8.81	-32.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020311086	1	51	-1.0	-41.28	418.32	8.83	-32.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020311087	0	48	-1.0	-45.22	392.46	8.14	-37.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(=O)OC)C1	REAL300020311087	1	48	-1.0	-45.24	392.52	8.16	-37.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCCCCCCCCC	REAL300020311088	0	61	-1.0	-41.39	491.60	12.37	-29.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCCCCCCCCC	REAL300020311088	1	61	-1.0	-41.36	491.66	12.40	-28.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020311089	0	48	-1.0	-47.83	404.13	8.44	-39.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(=O)OC)=CC=C2C1	REAL300020311089	1	48	-1.0	-47.83	404.19	8.46	-39.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020311090	0	46	-1.0	-51.66	407.11	6.34	-45.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020311090	1	46	-1.0	-51.66	407.17	6.35	-45.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020311091	0	43	-1.0	-59.17	376.23	5.59	-53.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=C2C(=O)NC=CN12	REAL300020311091	1	43	-1.0	-59.12	376.17	5.57	-53.55
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020311092	0	45	-1.0	-41.63	373.40	8.04	-33.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020311092	1	45	-1.0	-41.64	373.46	8.05	-33.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020311093	0	42	-1.0	-44.60	363.78	8.20	-36.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(SC=C2)C1C	REAL300020311093	1	42	-1.0	-44.61	363.73	8.17	-36.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020311094	0	53	-1.0	-45.65	434.27	9.34	-36.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020311094	1	53	-1.0	-45.65	434.33	9.36	-36.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020311095	0	50	-1.0	-49.21	416.52	8.69	-40.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(=O)OC)C1	REAL300020311095	1	50	-1.0	-49.22	416.57	8.71	-40.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020311096	0	49	-1.0	-51.72	402.89	5.73	-45.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020311096	1	49	-1.0	-51.75	402.94	5.74	-46.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020311097	0	46	-1.0	-52.41	385.67	5.01	-47.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)(C)S(C)(=O)=O	REAL300020311097	1	46	-1.0	-52.41	385.73	5.04	-47.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020311098	0	53	-1.0	-41.03	430.21	8.10	-32.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020311098	1	53	-1.0	-41.04	430.26	8.11	-32.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020311099	0	50	-1.0	-43.83	407.86	7.54	-36.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC=C2)CC1C	REAL300020311099	1	50	-1.0	-43.82	407.92	7.56	-36.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020311100	0	42	-1.0	-45.36	352.05	3.93	-41.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020311100	1	42	-1.0	-45.37	352.10	3.94	-41.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)C1	REAL300020311101	0	39	-1.0	-45.82	334.29	3.26	-42.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)C1	REAL300020311101	1	39	-1.0	-45.78	334.24	3.24	-42.54
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020311102	0	46	-1.0	-46.28	384.82	5.96	-40.32
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)C1	REAL300020311102	1	46	-1.0	-46.26	384.86	5.95	-40.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020311103	0	43	-1.0	-41.37	350.65	5.77	-35.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020311103	1	43	-1.0	-41.40	350.71	5.78	-35.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020311104	0	40	-1.0	-43.81	326.59	4.84	-38.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020311104	1	40	-1.0	-43.79	326.53	4.82	-38.97
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020311105	0	47	-1.0	-42.78	375.65	7.55	-35.23
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2COC[C@@H]2C1	REAL300020311105	1	47	-1.0	-42.77	375.68	7.54	-35.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020311106	0	51	-1.0	-41.36	423.06	10.82	-30.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020311106	1	51	-1.0	-41.35	423.12	10.83	-30.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020311107	0	48	-1.0	-43.20	404.50	10.34	-32.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300020311107	1	48	-1.0	-43.20	404.56	10.37	-32.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020311108	0	49	-1.0	-47.15	412.22	7.00	-40.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020311108	1	49	-1.0	-47.20	412.28	7.02	-40.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020311109	0	46	-1.0	-48.53	391.50	6.02	-42.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=NN2C)CC1	REAL300020311109	1	46	-1.0	-48.52	391.56	6.05	-42.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020311110	0	49	-1.0	-50.58	396.86	5.41	-45.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020311110	1	49	-1.0	-50.54	396.92	5.43	-45.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020311111	0	46	-1.0	-54.66	371.25	4.68	-49.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC2=O)CC1	REAL300020311111	1	46	-1.0	-54.63	371.30	4.70	-49.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020311112	0	48	-1.0	-46.80	417.04	4.90	-41.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300020311112	1	48	-1.0	-46.83	417.09	4.93	-41.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020311113	0	49	-1.0	-41.46	411.12	9.31	-32.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020311113	1	49	-1.0	-41.47	411.18	9.33	-32.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020311114	0	46	-1.0	-45.88	385.14	8.62	-37.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300020311114	1	46	-1.0	-45.93	385.20	8.63	-37.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020311115	0	54	-1.0	-48.38	438.94	8.53	-39.85
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020311115	1	54	-1.0	-46.84	428.05	7.96	-38.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NNC(C(C)C)=C2)C1	REAL300020311115	1	54	-1.0	-48.37	439.00	8.56	-39.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(C(C)C)=NN2)C1	REAL300020311115	1	54	-1.0	-46.83	428.10	7.99	-38.84
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020311116	0	51	-1.0	-46.05	417.25	5.97	-40.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	REAL300020311116	1	51	-1.0	-46.08	417.31	5.99	-40.09
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020311117	0	49	-1.0	-47.21	414.13	6.58	-40.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020311117	1	49	-1.0	-47.25	414.19	6.60	-40.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020311118	0	46	-1.0	-48.15	392.62	5.79	-42.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NOC)CC1	REAL300020311118	1	46	-1.0	-48.18	392.68	5.81	-42.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020311119	0	44	-1.0	-40.27	372.57	8.14	-32.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020311119	1	44	-1.0	-40.24	372.63	8.16	-32.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020311120	0	41	-1.0	-43.88	345.66	7.47	-36.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)C1	REAL300020311120	1	41	-1.0	-43.85	345.73	7.49	-36.36
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020311121	0	48	-1.0	-42.46	389.09	8.99	-33.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020311121	1	48	-1.0	-42.45	389.15	9.01	-33.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020311122	0	45	-1.0	-43.37	362.24	8.76	-34.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C(C)C1	REAL300020311122	1	45	-1.0	-43.37	362.19	8.73	-34.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020311123	0	47	-1.0	-45.85	405.54	6.28	-39.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=C(C#N)N=C2)CC1	REAL300020311123	1	47	-1.0	-45.78	405.48	6.26	-39.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OCC)C2(COC2)C1	REAL300020311124	0	49	-1.0	-48.67	407.40	6.39	-42.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OCC)C2(COC2)C1	REAL300020311124	1	49	-1.0	-48.72	407.46	6.41	-42.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020311125	0	48	-1.0	-49.14	402.85	5.26	-43.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020311125	1	48	-1.0	-49.14	402.90	5.28	-43.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020311126	0	45	-1.0	-51.30	381.36	4.48	-46.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CS(=O)(=O)CC2C1	REAL300020311126	1	45	-1.0	-51.32	381.42	4.50	-46.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020311127	0	47	-1.0	-41.69	408.88	7.95	-33.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020311127	1	47	-1.0	-41.68	408.94	7.96	-33.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020311128	0	44	-1.0	-45.73	378.63	7.03	-38.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(C)=CS2)C1	REAL300020311128	1	44	-1.0	-45.67	378.69	7.05	-38.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020311129	0	48	-1.0	-57.67	390.40	4.42	-53.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1	REAL300020311129	1	48	-1.0	-57.71	390.46	4.44	-53.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020311130	0	47	-1.0	-52.99	398.48	2.96	-50.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020311130	1	47	-1.0	-52.98	398.54	2.97	-50.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020311131	0	44	-1.0	-53.46	381.24	2.11	-51.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=N)=O)CC1	REAL300020311131	1	44	-1.0	-53.46	381.30	2.13	-51.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020311132	0	42	-1.0	-43.19	363.26	5.87	-37.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020311132	1	42	-1.0	-43.22	363.32	5.88	-37.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C(F)F)C1	REAL300020311133	0	39	-1.0	-42.79	346.18	5.22	-37.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C(F)F)C1	REAL300020311133	1	39	-1.0	-42.77	346.24	5.24	-37.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020311134	0	45	-1.0	-47.43	380.93	4.60	-42.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020311134	1	45	-1.0	-47.42	380.98	4.61	-42.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020311135	0	42	-1.0	-54.45	355.19	3.74	-50.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)C1	REAL300020311135	1	42	-1.0	-54.46	355.24	3.77	-50.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020311136	0	60	0.0	-63.99	440.57	10.36	-53.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020311136	1	60	0.0	-64.00	440.63	10.37	-53.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020311137	0	57	0.0	-62.85	422.09	9.67	-53.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([NH+]2CCCCC2)CC1	REAL300020311137	1	57	0.0	-62.87	422.15	9.71	-53.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020311138	0	46	-1.0	-43.58	382.81	7.98	-35.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020311138	1	46	-1.0	-43.61	382.87	8.00	-35.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020311139	0	43	-1.0	-47.39	361.25	7.39	-40.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020311139	1	43	-1.0	-47.39	361.31	7.40	-39.99
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020311140	0	50	-1.0	-45.94	403.59	9.96	-35.98
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(C)=O)CC1	REAL300020311140	1	50	-1.0	-45.99	403.62	9.96	-36.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020311141	0	47	-1.0	-39.40	411.83	9.80	-29.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020311141	1	47	-1.0	-39.40	411.89	9.81	-29.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020311142	0	44	-1.0	-41.69	391.91	9.05	-32.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H](C)C1=CC=C(Cl)C=C1	REAL300020311142	1	44	-1.0	-41.64	391.85	9.02	-32.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020311143	0	46	-1.0	-47.12	386.58	8.08	-39.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020311143	1	46	-1.0	-47.11	386.64	8.10	-39.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020311144	0	43	-1.0	-50.39	362.23	7.23	-43.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020311144	1	43	-1.0	-50.42	362.17	7.21	-43.21
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020311145	0	50	-1.0	-48.47	404.44	9.89	-38.58
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(C)=O)C1	REAL300020311145	1	50	-1.0	-48.47	404.47	9.88	-38.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020311146	0	51	-1.0	-42.73	402.16	5.94	-36.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020311146	1	51	-1.0	-42.72	402.21	5.96	-36.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020311147	0	48	-1.0	-42.39	384.39	5.29	-37.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(C)O)C1	REAL300020311147	1	48	-1.0	-42.41	384.45	5.31	-37.10
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020311148	0	52	-1.0	-40.59	397.02	10.90	-29.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020311148	1	52	-1.0	-40.59	397.08	10.91	-29.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020311149	0	49	-1.0	-41.12	378.81	10.16	-30.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020311149	1	49	-1.0	-41.13	378.86	10.18	-30.95
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020311150	0	56	-1.0	-41.48	425.20	12.86	-28.62
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)C(C)(C)C	REAL300020311150	1	56	-1.0	-41.44	425.24	12.85	-28.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020311151	0	46	-1.0	-42.72	383.92	3.11	-39.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020311151	1	46	-1.0	-42.73	383.98	3.12	-39.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCO)C1	REAL300020311152	0	43	-1.0	-44.93	366.08	2.47	-42.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCO)C1	REAL300020311152	1	43	-1.0	-44.92	366.14	2.49	-42.43
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CCO)C1	REAL300020311153	0	50	-1.0	-44.28	411.22	5.40	-38.88
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CCO)C1	REAL300020311153	1	50	-1.0	-44.25	411.25	5.39	-38.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020311154	0	49	-1.0	-43.12	395.05	3.25	-39.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020311154	1	49	-1.0	-43.17	395.11	3.26	-39.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020311155	0	46	-1.0	-44.72	369.84	2.57	-42.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CO)(CO)CC1	REAL300020311155	1	46	-1.0	-44.73	369.90	2.59	-42.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020311156	0	49	-1.0	-49.60	405.27	6.69	-42.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(NC(C)=O)C=C2C1	REAL300020311156	1	49	-1.0	-49.62	405.22	6.67	-42.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020311157	0	43	-1.0	-43.09	359.97	8.35	-34.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020311157	1	43	-1.0	-43.06	360.03	8.37	-34.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC=C2C1	REAL300020311158	0	40	-1.0	-45.72	338.53	7.60	-38.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC=C2C1	REAL300020311158	1	40	-1.0	-45.70	338.48	7.57	-38.13
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020311159	0	47	-1.0	-44.30	388.14	10.33	-33.97
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCN2C=CC=C2C1	REAL300020311159	1	47	-1.0	-44.29	388.18	10.32	-33.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020311160	0	51	-1.0	-44.65	423.78	8.80	-35.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020311160	1	51	-1.0	-44.61	423.84	8.81	-35.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020311161	0	48	-1.0	-46.72	398.96	7.88	-38.84
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN(C)C=C2)CC1	REAL300020311161	1	48	-1.0	-46.70	399.01	7.89	-38.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020311162	0	42	-1.0	-44.12	359.74	7.59	-36.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020311162	1	42	-1.0	-44.09	359.80	7.60	-36.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C#N)C1	REAL300020311163	0	39	-1.0	-46.54	338.33	7.05	-39.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C#N)C1	REAL300020311163	1	39	-1.0	-46.51	338.27	7.02	-39.49
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020311164	0	46	-1.0	-46.65	379.04	9.74	-36.91
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C#N)C1	REAL300020311164	1	46	-1.0	-46.61	379.13	9.73	-36.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020311165	0	49	-1.0	-42.81	388.91	7.56	-35.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020311165	1	49	-1.0	-42.83	388.97	7.57	-35.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020311166	0	46	-1.0	-44.79	374.53	6.85	-37.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CCCO2)C1	REAL300020311166	1	46	-1.0	-44.73	374.59	6.87	-37.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020311167	0	42	-1.0	-44.38	363.64	8.08	-36.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020311167	1	42	-1.0	-44.41	363.70	8.10	-36.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020311168	0	39	-1.0	-46.24	340.52	7.10	-39.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2C(C1)C(F)(F)C2(F)F	REAL300020311168	1	39	-1.0	-46.27	340.57	7.13	-39.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020311169	0	51	-1.0	-40.73	415.28	11.06	-29.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020311169	1	51	-1.0	-40.75	415.34	11.08	-29.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020311170	0	48	-1.0	-44.87	387.21	10.31	-34.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C1C1=CC=CC=C1	REAL300020311170	1	48	-1.0	-44.90	387.15	10.28	-34.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020311171	0	48	-1.0	-43.47	397.66	9.83	-33.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020311171	1	48	-1.0	-43.49	397.72	9.84	-33.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020311172	0	45	-1.0	-47.40	379.70	9.45	-37.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300020311172	1	45	-1.0	-47.39	379.76	9.47	-37.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020311173	0	46	-1.0	-42.72	380.50	4.34	-38.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020311173	1	46	-1.0	-42.77	380.56	4.35	-38.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020311174	0	43	-1.0	-45.41	358.53	3.81	-41.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NC(=O)OC)C1	REAL300020311174	1	43	-1.0	-45.42	358.58	3.84	-41.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020311175	0	43	-1.0	-41.29	347.83	5.90	-35.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020311175	1	43	-1.0	-41.31	347.89	5.91	-35.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020311176	0	40	-1.0	-45.67	321.57	5.11	-40.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020311176	1	40	-1.0	-45.64	321.52	5.08	-40.56
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020311177	0	47	-1.0	-45.15	379.86	8.03	-37.12
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2CCO[C@H]2C1	REAL300020311177	1	47	-1.0	-45.09	379.90	8.02	-37.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020311178	0	45	-1.0	-42.52	374.26	8.44	-34.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020311178	1	45	-1.0	-42.55	374.32	8.46	-34.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020311179	0	42	-1.0	-46.60	347.58	7.69	-38.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020311179	1	42	-1.0	-46.57	347.64	7.71	-38.86
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020311180	0	49	-1.0	-44.18	398.12	11.01	-33.17
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@]2(CF)C1	REAL300020311180	1	49	-1.0	-44.19	398.10	11.01	-33.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H](CC)[C@@](F)(C(=O)OCC)C1	REAL300020311181	0	50	-1.0	-42.39	418.09	8.68	-33.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H](CC)[C@@](F)(C(=O)OCC)C1	REAL300020311181	1	50	-1.0	-42.40	418.15	8.70	-33.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020311182	0	50	-1.0	-45.57	395.70	8.15	-37.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300020311182	1	50	-1.0	-45.59	395.76	8.18	-37.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)C=C1C	REAL300020311183	0	54	-1.0	-42.01	442.56	9.12	-32.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)C=C1C	REAL300020311183	1	54	-1.0	-42.04	442.51	9.10	-32.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020311184	0	45	-1.0	-40.69	387.00	8.80	-31.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020311184	1	45	-1.0	-40.72	387.05	8.82	-31.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020311185	0	42	-1.0	-44.00	360.05	8.12	-35.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300020311185	1	42	-1.0	-44.03	360.11	8.15	-35.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020311186	0	43	-1.0	-41.27	360.89	8.03	-33.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020311186	1	43	-1.0	-41.28	360.95	8.04	-33.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020311187	0	40	-1.0	-42.74	339.39	7.24	-35.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020311187	1	40	-1.0	-42.76	339.45	7.27	-35.49
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020311188	0	47	-1.0	-42.73	389.30	10.00	-32.73
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CSC[C@@H]2C1	REAL300020311188	1	47	-1.0	-42.73	389.34	9.99	-32.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020311189	0	46	-1.0	-45.42	391.75	5.56	-39.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020311189	1	46	-1.0	-45.44	391.80	5.58	-39.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020311190	0	43	-1.0	-49.01	367.52	4.86	-44.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(C)=N2)C1	REAL300020311190	1	43	-1.0	-49.03	367.58	4.88	-44.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	REAL300020311191	0	51	-1.0	-43.80	412.77	9.58	-34.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	REAL300020311191	1	51	-1.0	-43.78	412.83	9.59	-34.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	REAL300020311192	0	48	-1.0	-45.65	392.40	8.81	-36.84
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1	REAL300020311192	1	48	-1.0	-45.64	392.45	8.84	-36.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020311193	0	42	-1.0	-40.12	362.02	7.54	-32.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020311193	1	42	-1.0	-40.15	362.07	7.55	-32.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020311194	0	39	-1.0	-42.48	345.39	6.88	-35.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC(C(F)(F)F)C1	REAL300020311194	1	39	-1.0	-42.50	345.45	6.91	-35.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020311195	0	50	-1.0	-44.94	427.16	8.57	-36.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020311195	1	50	-1.0	-44.96	427.21	8.59	-36.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020311196	0	47	-1.0	-46.44	405.59	7.81	-38.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020311196	1	47	-1.0	-46.49	405.64	7.83	-38.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020311197	0	54	-1.0	-44.44	437.85	11.96	-32.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300020311197	1	54	-1.0	-44.41	437.91	11.98	-32.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020311198	0	54	-1.0	-43.49	420.89	9.87	-33.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC=C2)C1C(C)C	REAL300020311198	1	54	-1.0	-43.48	420.96	9.90	-33.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020311199	0	44	-1.0	-43.31	375.17	7.93	-35.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020311199	1	44	-1.0	-43.31	375.23	7.95	-35.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC(F)F)C1CCC1	REAL300020311200	0	41	-1.0	-46.95	331.73	7.57	-39.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC(F)F)C1CCC1	REAL300020311200	1	41	-1.0	-47.01	331.79	7.60	-39.41
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC(F)F)C1CCC1	REAL300020311201	0	48	-1.0	-44.45	401.18	9.71	-34.74
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC(F)F)C1CCC1	REAL300020311201	1	48	-1.0	-44.41	401.21	9.68	-34.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020311202	0	50	-1.0	-42.72	421.46	6.66	-36.06
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020311202	1	50	-1.0	-42.77	421.52	6.67	-36.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020311203	0	47	-1.0	-49.41	386.84	4.97	-44.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1	REAL300020311203	1	47	-1.0	-49.43	386.78	4.95	-44.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020311204	0	45	-1.0	-40.05	371.65	6.53	-33.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020311204	1	45	-1.0	-40.10	371.71	6.54	-33.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)CC1	REAL300020311205	0	42	-1.0	-42.99	349.92	5.94	-37.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)CC1	REAL300020311205	1	42	-1.0	-42.99	349.86	5.93	-37.06
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020311206	0	49	-1.0	-42.03	392.20	8.50	-33.53
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)CC1	REAL300020311206	1	49	-1.0	-41.96	392.23	8.50	-33.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020311207	0	52	-1.0	-40.55	425.97	9.74	-30.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020311207	1	52	-1.0	-40.59	426.02	9.76	-30.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020311208	0	49	-1.0	-42.46	408.10	9.06	-33.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2)CC1	REAL300020311208	1	49	-1.0	-42.47	408.16	9.09	-33.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020311209	0	44	-1.0	-43.65	370.31	5.85	-37.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020311209	1	44	-1.0	-43.69	370.37	5.87	-37.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020311210	0	41	-1.0	-44.47	352.54	5.18	-39.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCN2N=NC=C2C1	REAL300020311210	1	41	-1.0	-44.49	352.47	5.15	-39.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020311211	0	48	-1.0	-40.40	401.59	9.41	-30.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020311211	1	48	-1.0	-40.40	401.65	9.42	-30.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020311212	0	45	-1.0	-43.18	376.12	8.69	-34.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300020311212	1	45	-1.0	-43.21	376.18	8.71	-34.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1=CC=C(C)C(C)=C1	REAL300020311213	0	54	-1.0	-45.00	432.34	8.93	-36.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1=CC=C(C)C(C)=C1	REAL300020311213	1	54	-1.0	-44.97	432.28	8.91	-36.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020311214	0	53	-1.0	-48.71	423.92	6.10	-42.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020311214	1	53	-1.0	-48.68	423.97	6.12	-42.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020311215	0	50	-1.0	-50.61	400.23	4.95	-45.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C)COC(=O)N2)CC1	REAL300020311215	1	50	-1.0	-50.62	400.30	4.96	-45.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020311216	0	50	-1.0	-45.98	404.84	8.21	-37.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020311216	1	50	-1.0	-46.00	404.90	8.23	-37.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020311217	0	47	-1.0	-47.27	382.73	7.68	-39.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CC(=O)OC)C1	REAL300020311217	1	47	-1.0	-47.29	382.79	7.70	-39.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC(C)=CS2)C1	REAL300020311218	0	50	-1.0	-44.91	426.84	8.54	-36.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC(C)=CS2)C1	REAL300020311218	1	50	-1.0	-44.87	426.89	8.57	-36.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020311219	0	52	-1.0	-41.80	427.02	8.24	-33.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020311219	1	52	-1.0	-41.81	427.08	8.26	-33.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020311220	0	49	-1.0	-44.28	405.08	7.64	-36.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=CC=N2)CC1	REAL300020311220	1	49	-1.0	-44.26	405.13	7.66	-36.60
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020311221	0	57	0.0	-65.78	425.20	9.85	-55.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020311221	1	57	0.0	-65.77	425.25	9.86	-55.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020311222	0	54	0.0	-66.08	392.59	8.37	-57.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)([NH+]2CCC2)CC1	REAL300020311222	1	54	0.0	-66.10	392.65	8.39	-57.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020311223	0	53	-1.0	-48.88	423.41	6.28	-42.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020311223	1	53	-1.0	-48.91	423.47	6.29	-42.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020311224	0	50	-1.0	-49.27	405.84	5.39	-43.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2(C)COC(=O)N2)C1	REAL300020311224	1	50	-1.0	-49.28	405.90	5.42	-43.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020311225	0	50	-1.0	-40.61	384.03	8.81	-31.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020311225	1	50	-1.0	-40.57	384.09	8.83	-31.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020311226	0	47	-1.0	-43.19	367.75	8.22	-34.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020311226	1	47	-1.0	-43.20	367.69	8.19	-35.01
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020311227	0	54	-1.0	-41.53	419.26	10.97	-30.56
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)C[C@@H](C)C1	REAL300020311227	1	54	-1.0	-41.53	419.30	10.96	-30.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020311228	0	53	-1.0	-42.24	436.51	9.81	-32.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020311228	1	53	-1.0	-42.22	436.57	9.82	-32.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020311229	0	50	-1.0	-45.17	415.47	9.03	-36.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)C)CC1	REAL300020311229	1	50	-1.0	-45.20	415.52	9.05	-36.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020311230	0	51	-1.0	-45.70	423.80	8.79	-36.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020311230	1	51	-1.0	-45.67	423.86	8.81	-36.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020311231	0	48	-1.0	-47.17	402.54	8.02	-39.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=NN(C)C=C2)C1	REAL300020311231	1	48	-1.0	-47.15	402.60	8.04	-39.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020311232	0	50	-1.0	-41.30	424.69	9.04	-32.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020311232	1	50	-1.0	-41.29	424.75	9.06	-32.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020311233	0	47	-1.0	-43.23	405.81	8.36	-34.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC2=NC=CS2)C1	REAL300020311233	1	47	-1.0	-43.20	405.87	8.39	-34.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020311234	0	53	-1.0	-45.02	434.06	2.47	-42.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020311234	1	53	-1.0	-45.03	434.12	2.49	-42.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020311235	0	50	-1.0	-47.53	416.18	1.80	-45.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(COCCO)CC1	REAL300020311235	1	50	-1.0	-47.50	416.24	1.82	-45.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC=C)CC1	REAL300020311236	0	49	-1.0	-42.27	399.58	6.23	-36.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC=C)CC1	REAL300020311236	1	49	-1.0	-42.28	399.64	6.25	-36.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC=C)CC1	REAL300020311237	0	46	-1.0	-44.18	380.64	5.54	-38.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC=C)CC1	REAL300020311237	1	46	-1.0	-44.17	380.70	5.57	-38.60
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCF	REAL300020311238	0	40	-1.0	-40.72	340.41	7.14	-33.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCF	REAL300020311238	1	40	-1.0	-40.72	340.46	7.15	-33.57
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCF	REAL300020311239	0	44	-1.0	-41.65	376.06	9.03	-32.62
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCF	REAL300020311239	1	44	-1.0	-41.55	376.11	9.02	-32.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020311240	0	48	-1.0	-52.87	416.90	7.30	-45.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCN2CCNC2=O)C=C1	REAL300020311240	1	48	-1.0	-52.89	416.84	7.27	-45.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020311241	0	51	-1.0	-41.55	424.05	11.01	-30.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020311241	1	51	-1.0	-41.56	424.11	11.02	-30.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020311242	0	48	-1.0	-41.62	398.43	9.83	-31.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC(F)=C1)C1CCC1	REAL300020311242	1	48	-1.0	-41.61	398.37	9.80	-31.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020311243	0	48	-1.0	-46.10	395.13	10.08	-36.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020311243	1	48	-1.0	-46.08	395.08	10.07	-36.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020311244	0	45	-1.0	-48.53	373.05	9.54	-38.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCCC2)N=C1	REAL300020311244	1	45	-1.0	-48.56	373.00	9.53	-39.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020311245	0	45	-1.0	-39.40	387.55	7.02	-32.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020311245	1	45	-1.0	-39.41	387.60	7.03	-32.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020311246	0	42	-1.0	-41.70	365.76	6.41	-35.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(F)(F)F)CC1	REAL300020311246	1	42	-1.0	-41.73	365.82	6.43	-35.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020311247	0	52	-1.0	-44.71	431.21	7.29	-37.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020311247	1	52	-1.0	-44.72	431.26	7.31	-37.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020311248	0	49	-1.0	-47.43	408.82	6.65	-40.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NOC(C)=N2)CC1	REAL300020311248	1	49	-1.0	-47.42	408.88	6.67	-40.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020311249	0	54	-1.0	-40.93	418.31	9.87	-31.06
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020311249	1	54	-1.0	-40.93	418.36	9.88	-31.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020311250	0	51	-1.0	-48.61	399.88	10.85	-37.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C(C)C1=CC=CC=C1	REAL300020311250	1	51	-1.0	-48.66	399.83	10.82	-37.84
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020311251	0	53	-1.0	-45.31	435.16	8.77	-36.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020311251	1	53	-1.0	-45.32	435.22	8.79	-36.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020311252	0	50	-1.0	-48.32	407.86	7.49	-40.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(C(C)C)=NN=C2C1C	REAL300020311252	1	50	-1.0	-48.28	407.91	7.52	-40.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020311253	0	51	-1.0	-41.19	426.04	11.05	-30.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020311253	1	51	-1.0	-41.17	426.10	11.06	-30.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020311254	0	48	-1.0	-43.47	408.69	10.73	-32.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC1=CC=CC=C1)C1CC1	REAL300020311254	1	48	-1.0	-43.49	408.63	10.71	-32.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020311255	0	55	-1.0	-41.13	428.07	8.69	-32.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020311255	1	55	-1.0	-41.12	428.13	8.71	-32.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020311256	0	52	-1.0	-43.75	410.54	7.84	-35.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2CCOCC2)C1	REAL300020311256	1	52	-1.0	-43.78	410.60	7.86	-35.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020311257	0	46	-1.0	-46.92	396.11	1.39	-45.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020311257	1	46	-1.0	-46.90	396.17	1.40	-45.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020311258	0	43	-1.0	-47.47	370.19	0.82	-46.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(CNS2(=O)=O)C1	REAL300020311258	1	43	-1.0	-47.47	370.25	0.84	-46.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020311259	0	43	-1.0	-49.54	383.11	3.40	-46.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1	REAL300020311259	1	43	-1.0	-49.58	383.16	3.43	-46.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020311260	0	45	-1.0	-42.86	368.91	8.32	-34.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020311260	1	45	-1.0	-42.85	368.96	8.33	-34.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020311261	0	42	-1.0	-46.38	349.50	7.95	-38.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(F)F)C2(CC2)C1	REAL300020311261	1	42	-1.0	-46.37	349.56	7.98	-38.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020311262	0	50	-1.0	-42.78	421.91	8.68	-34.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020311262	1	50	-1.0	-42.80	421.96	8.70	-34.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020311263	0	47	-1.0	-44.21	404.12	8.08	-36.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC(C)=CS2)C1	REAL300020311263	1	47	-1.0	-44.17	404.17	8.11	-36.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020311264	0	44	-1.0	-47.55	378.49	6.10	-41.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020311264	1	44	-1.0	-47.63	378.55	6.12	-41.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020311265	0	41	-1.0	-47.19	364.10	5.13	-42.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(=O)N1	REAL300020311265	1	41	-1.0	-47.19	364.04	5.10	-42.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC(C2=CC=CS2)=NO1	REAL300020311266	0	43	-1.0	-42.09	400.40	6.27	-35.82
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC(C2=CC=CS2)=NO1	REAL300020311266	1	43	-1.0	-42.10	400.35	6.25	-35.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC#C)C1CCCC2=CC=CC=C21	REAL300020311267	0	50	-1.0	-43.62	417.94	11.29	-32.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC#C)C1CCCC2=CC=CC=C21	REAL300020311267	1	50	-1.0	-43.66	417.89	11.27	-32.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020311268	0	47	-1.0	-41.83	418.01	8.10	-33.73
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020311268	1	47	-1.0	-41.88	418.07	8.12	-33.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020311269	0	44	-1.0	-46.59	388.95	7.38	-39.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(C(=O)OC)O1	REAL300020311269	1	44	-1.0	-46.61	389.01	7.41	-39.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020311270	0	45	-1.0	-46.50	382.36	9.54	-36.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020311270	1	45	-1.0	-46.48	382.30	9.53	-36.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020311271	0	42	-1.0	-48.46	360.86	8.77	-39.69
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCC2)N=C1	REAL300020311271	1	42	-1.0	-48.41	360.80	8.74	-39.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020311272	0	42	-1.0	-39.76	363.27	4.95	-34.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020311272	1	42	-1.0	-39.82	363.33	4.97	-34.85
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020311273	0	39	-1.0	-41.42	339.89	4.49	-36.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)(C(F)(F)F)C1	REAL300020311273	1	39	-1.0	-41.43	339.95	4.51	-36.92
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020311274	0	51	-1.0	-43.02	406.01	8.67	-34.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020311274	1	51	-1.0	-43.07	405.95	8.65	-34.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020311275	0	48	-1.0	-48.35	378.80	8.28	-40.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2CC[C@@]21C1=CC=CN=C1	REAL300020311275	1	48	-1.0	-48.34	378.74	8.26	-40.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020311276	0	48	-1.0	-39.63	368.13	9.76	-29.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020311276	1	48	-1.0	-39.62	368.18	9.77	-29.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(C2)C1	REAL300020311277	0	45	-1.0	-43.52	348.43	9.28	-34.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(C2)C1	REAL300020311277	1	45	-1.0	-43.50	348.37	9.26	-34.24
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020311278	0	52	-1.0	-40.69	403.03	11.98	-28.71
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCC(C2)C1	REAL300020311278	1	52	-1.0	-40.69	403.13	11.96	-28.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020311279	0	51	0.0	-67.98	396.23	8.30	-59.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020311279	1	51	0.0	-66.54	390.87	8.72	-57.82
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020311279	1	51	0.0	-67.95	396.29	8.31	-59.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020311279	1	51	0.0	-66.54	390.93	8.73	-57.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020311280	0	48	0.0	-70.27	372.03	7.79	-62.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020311280	1	48	0.0	-66.36	368.85	8.18	-58.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1	REAL300020311280	1	48	0.0	-70.25	372.08	7.81	-62.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	REAL300020311280	1	48	0.0	-66.37	368.91	8.20	-58.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020311281	0	49	-1.0	-43.80	394.54	4.87	-38.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020311281	1	49	-1.0	-43.80	394.60	4.88	-38.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020311282	0	46	-1.0	-43.70	378.46	4.10	-39.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@]2(C(N)=O)C1	REAL300020311282	1	46	-1.0	-43.70	378.52	4.12	-39.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020311283	0	50	-1.0	-39.75	399.90	9.71	-30.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020311283	1	50	-1.0	-39.71	399.96	9.73	-29.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020311284	0	47	-1.0	-42.71	378.94	9.14	-33.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)C=CC=C1C	REAL300020311284	1	47	-1.0	-42.70	378.89	9.13	-33.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020311285	0	50	-1.0	-44.94	427.16	8.57	-36.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020311285	1	50	-1.0	-44.96	427.21	8.59	-36.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020311286	0	47	-1.0	-46.44	405.59	7.81	-38.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C2OCOC2=C1	REAL300020311286	1	47	-1.0	-46.49	405.64	7.83	-38.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020311287	0	42	-1.0	-42.01	390.63	8.61	-33.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020311287	1	42	-1.0	-41.99	390.69	8.62	-33.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020311288	0	39	-1.0	-43.93	369.18	7.85	-36.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C#N)=CS1	REAL300020311288	1	39	-1.0	-43.97	369.12	7.82	-36.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020311289	0	50	-1.0	-48.22	409.11	2.68	-45.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020311289	1	50	-1.0	-48.23	409.17	2.70	-45.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020311290	0	47	-1.0	-48.42	387.56	1.90	-46.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCN1CCNC(=O)C1	REAL300020311290	1	47	-1.0	-48.42	387.61	1.92	-46.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020311291	0	42	-1.0	-41.65	337.99	7.71	-33.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020311291	1	42	-1.0	-41.64	338.05	7.73	-33.91
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020311292	0	46	-1.0	-42.53	371.11	9.84	-32.69
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CC[C@@H]2C1	REAL300020311292	1	46	-1.0	-42.45	371.13	9.83	-32.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020311293	0	49	-1.0	-54.92	406.79	2.91	-52.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020311293	1	49	-1.0	-54.93	406.85	2.93	-52.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020311294	0	46	-1.0	-58.52	384.62	2.37	-56.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1	REAL300020311294	1	46	-1.0	-58.57	384.68	2.40	-56.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020311295	0	50	-1.0	-41.50	385.25	9.21	-32.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020311295	1	50	-1.0	-41.49	385.31	9.22	-32.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020311296	0	47	-1.0	-43.32	373.06	8.55	-34.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1	REAL300020311296	1	47	-1.0	-43.31	373.11	8.57	-34.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020311297	0	52	-1.0	-41.58	389.57	9.42	-32.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020311297	1	52	-1.0	-41.55	389.63	9.44	-32.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020311298	0	49	-1.0	-45.01	368.06	8.89	-36.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1	REAL300020311298	1	49	-1.0	-45.00	368.11	8.92	-36.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020311299	0	45	-1.0	-49.04	377.54	4.18	-44.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020311299	1	45	-1.0	-49.01	377.60	4.19	-44.82
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020311300	0	42	-1.0	-49.73	358.47	3.54	-46.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	REAL300020311300	1	42	-1.0	-49.70	358.53	3.56	-46.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020311301	0	52	-1.0	-41.75	425.93	10.86	-30.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020311301	1	52	-1.0	-41.76	425.99	10.87	-30.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020311302	0	49	-1.0	-44.42	409.29	10.23	-34.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C=CC1=CC=CC=C1	REAL300020311302	1	49	-1.0	-44.44	409.24	10.21	-34.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020311303	0	47	-1.0	-44.42	380.16	6.16	-38.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020311303	1	47	-1.0	-44.42	380.22	6.17	-38.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1OCCO1	REAL300020311304	0	44	-1.0	-45.73	363.39	5.52	-40.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1OCCO1	REAL300020311304	1	44	-1.0	-45.72	363.45	5.54	-40.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020311305	0	44	-1.0	-49.93	366.51	5.01	-44.92
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020311305	1	44	-1.0	-49.90	366.57	5.02	-44.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020311306	0	41	-1.0	-46.97	350.27	5.31	-41.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)N=NN2C	REAL300020311306	1	41	-1.0	-47.01	350.22	5.29	-41.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020311307	0	47	-1.0	-44.92	390.29	8.13	-36.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020311307	1	47	-1.0	-44.95	390.35	8.15	-36.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020311308	0	44	-1.0	-44.97	363.24	7.45	-37.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OCC)C1	REAL300020311308	1	44	-1.0	-44.97	363.30	7.47	-37.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020311309	0	47	-1.0	-52.56	394.27	4.32	-48.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020311309	1	47	-1.0	-52.58	394.32	4.33	-48.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020311310	0	44	-1.0	-54.83	372.80	3.54	-51.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)O2)CC1	REAL300020311310	1	44	-1.0	-54.83	372.86	3.57	-51.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020311311	0	50	-1.0	-53.97	400.03	5.31	-48.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020311311	1	50	-1.0	-53.97	400.09	5.32	-48.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020311312	0	47	-1.0	-55.67	384.08	4.71	-50.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCNC(=O)O2)CC1	REAL300020311312	1	47	-1.0	-55.67	384.13	4.74	-50.93
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020311313	0	50	-1.0	-49.39	407.04	5.56	-43.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020311313	1	50	-1.0	-49.38	407.10	5.58	-43.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020311314	0	47	-1.0	-52.98	385.08	4.95	-48.03
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COC(=O)N2)CC1	REAL300020311314	1	47	-1.0	-53.01	385.13	4.98	-48.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020311315	0	57	-1.0	-43.71	463.00	7.96	-35.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020311315	1	57	-1.0	-43.72	463.05	7.97	-35.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020311316	0	54	-1.0	-48.13	438.34	7.28	-40.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NCC(C)C)CC1	REAL300020311316	1	54	-1.0	-48.14	438.39	7.31	-40.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020311317	0	49	-1.0	-45.00	416.09	4.68	-40.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020311317	1	49	-1.0	-45.00	416.14	4.70	-40.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020311318	0	46	-1.0	-46.28	398.39	3.99	-42.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(=O)(=O)CC)CC1	REAL300020311318	1	46	-1.0	-46.28	398.45	4.01	-42.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020311319	0	46	-1.0	-48.19	369.91	3.69	-44.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020311319	1	46	-1.0	-48.19	369.97	3.71	-44.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020311320	0	43	-1.0	-50.54	348.34	3.09	-47.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C(N)=O)CC2	REAL300020311320	1	43	-1.0	-50.56	348.28	3.07	-47.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020311321	0	46	-1.0	-49.59	389.78	2.26	-47.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020311321	1	46	-1.0	-49.60	389.83	2.28	-47.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020311322	0	43	-1.0	-51.16	370.70	1.65	-49.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CS(N)(=O)=O)C1	REAL300020311322	1	43	-1.0	-51.18	370.76	1.68	-49.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020311323	0	42	-1.0	-47.28	371.62	7.38	-39.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C(F)(F)F)C1	REAL300020311323	1	42	-1.0	-47.31	371.56	7.34	-39.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CSC)CC1	REAL300020311324	0	48	-1.0	-41.10	403.29	9.08	-32.02
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CSC)CC1	REAL300020311324	1	48	-1.0	-41.10	403.34	9.09	-32.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CSC)CC1	REAL300020311325	0	45	-1.0	-44.33	381.36	8.47	-35.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CSC)CC1	REAL300020311325	1	45	-1.0	-44.34	381.41	8.49	-35.85
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020311326	0	43	-1.0	-49.83	367.73	3.45	-46.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1	REAL300020311326	1	43	-1.0	-49.87	367.79	3.47	-46.40
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCC)C1	REAL300020311327	0	45	-1.0	-41.42	378.27	6.73	-34.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCC)C1	REAL300020311327	1	45	-1.0	-41.43	378.33	6.74	-34.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCC)C1	REAL300020311328	0	42	-1.0	-43.94	353.21	6.04	-37.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCC)C1	REAL300020311328	1	42	-1.0	-43.93	353.16	6.02	-37.91
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OCC)C1	REAL300020311329	0	49	-1.0	-43.35	397.46	8.40	-34.95
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OCC)C1	REAL300020311329	1	49	-1.0	-43.35	397.48	8.40	-34.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020311330	0	42	-1.0	-42.32	376.43	6.83	-35.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(F)(F)F)C=C2C1	REAL300020311330	1	42	-1.0	-42.32	376.49	6.86	-35.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020311331	0	49	-1.0	-41.70	410.67	8.67	-33.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020311331	1	49	-1.0	-41.69	410.73	8.69	-33.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020311332	0	46	-1.0	-49.73	381.87	7.09	-42.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C3CC3)C=C2C1	REAL300020311332	1	46	-1.0	-49.70	381.81	7.07	-42.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2=CC=CC(OC)=C2)C1	REAL300020311333	0	49	-1.0	-44.37	408.38	8.71	-35.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2=CC=CC(OC)=C2)C1	REAL300020311333	1	49	-1.0	-44.35	408.43	8.74	-35.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCC(=O)NC	REAL300020311334	0	47	-1.0	-50.46	388.42	4.34	-46.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCC(=O)NC	REAL300020311334	1	47	-1.0	-50.53	388.47	4.35	-46.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCC(=O)NC	REAL300020311335	0	44	-1.0	-53.82	367.03	3.57	-50.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCC(=O)NC	REAL300020311335	1	44	-1.0	-53.79	366.97	3.54	-50.25
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCC(=O)NC	REAL300020311336	0	51	-1.0	-51.43	415.85	6.31	-45.12
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCC(=O)NC	REAL300020311336	1	51	-1.0	-51.47	415.89	6.31	-45.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020311337	0	54	-1.0	-40.99	444.59	8.96	-32.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020311337	1	54	-1.0	-40.99	444.65	8.98	-32.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020311338	0	51	-1.0	-43.25	417.14	8.30	-34.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C(C)(C)C)C=C2C1	REAL300020311338	1	51	-1.0	-43.30	417.20	8.33	-34.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020311339	0	48	-1.0	-42.06	389.38	9.53	-32.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020311339	1	48	-1.0	-42.05	389.43	9.55	-32.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020311340	0	45	-1.0	-44.27	375.07	8.87	-35.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C2CC2)CC1	REAL300020311340	1	45	-1.0	-44.24	375.13	8.90	-35.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020311341	0	42	-1.0	-41.88	362.07	7.83	-34.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020311341	1	42	-1.0	-41.89	362.13	7.85	-34.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020311342	0	39	-1.0	-43.64	342.95	7.74	-35.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC=C2	REAL300020311342	1	39	-1.0	-43.65	342.89	7.71	-35.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020311343	0	54	-1.0	-44.00	432.94	11.35	-32.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)CC1	REAL300020311343	1	54	-1.0	-44.04	433.00	11.38	-32.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020311344	0	52	-1.0	-42.64	424.27	9.81	-32.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020311344	1	52	-1.0	-42.66	424.32	9.83	-32.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020311345	0	49	-1.0	-44.75	393.32	8.99	-35.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(OC)=C2CC1	REAL300020311345	1	49	-1.0	-44.71	393.27	8.96	-35.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020311346	0	45	-1.0	-40.70	393.00	9.63	-31.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020311346	1	45	-1.0	-40.71	393.06	9.64	-31.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020311347	0	42	-1.0	-44.15	365.41	8.98	-35.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(F)=C2F)C1	REAL300020311347	1	42	-1.0	-44.14	365.36	8.96	-35.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020311348	0	53	-1.0	-42.06	417.41	7.09	-34.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020311348	1	53	-1.0	-42.08	417.47	7.10	-34.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020311349	0	50	-1.0	-45.50	400.03	6.65	-38.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2COCCO2)CC1	REAL300020311349	1	50	-1.0	-45.49	400.09	6.67	-38.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC#C)CC(C)C	REAL300020311350	0	45	-1.0	-41.62	380.32	8.66	-32.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC#C)CC(C)C	REAL300020311350	1	45	-1.0	-41.65	380.37	8.68	-32.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC#C)CC(C)C	REAL300020311351	0	42	-1.0	-41.79	361.69	8.28	-33.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC#C)CC(C)C	REAL300020311351	1	42	-1.0	-41.78	361.64	8.26	-33.52
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC#C)CC(C)C	REAL300020311352	0	49	-1.0	-42.97	402.13	10.33	-32.64
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC#C)CC(C)C	REAL300020311352	1	49	-1.0	-42.92	402.17	10.33	-32.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020311353	0	50	-1.0	-42.96	415.61	10.16	-32.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020311353	1	50	-1.0	-42.97	415.67	10.17	-32.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020311354	0	47	-1.0	-44.52	399.73	9.27	-35.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020311354	1	47	-1.0	-44.50	399.68	9.25	-35.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020311355	0	50	-1.0	-42.96	415.61	10.16	-32.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020311355	1	50	-1.0	-42.97	415.67	10.17	-32.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020311356	0	47	-1.0	-44.52	399.73	9.27	-35.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=C(C)OC2=CC=CC=C21	REAL300020311356	1	47	-1.0	-44.50	399.68	9.25	-35.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC=C	REAL300020311357	0	48	-1.0	-41.81	383.54	8.73	-33.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC=C	REAL300020311357	1	48	-1.0	-41.79	383.59	8.74	-33.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC=C	REAL300020311358	0	45	-1.0	-43.37	366.94	8.11	-35.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC=C	REAL300020311358	1	45	-1.0	-43.38	366.88	8.09	-35.29
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020311360	0	53	-1.0	-44.96	437.27	9.92	-35.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300020311360	1	53	-1.0	-44.97	437.32	9.95	-35.02
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020311361	1	45	-1.0	-42.63	343.08	7.01	-35.62
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CCC2(F)F	REAL300020311362	1	42	-1.0	-45.12	320.66	6.50	-38.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020311363	0	52	-1.0	-46.77	424.03	6.24	-40.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020311363	1	52	-1.0	-46.76	424.09	6.26	-40.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020311364	0	49	-1.0	-48.75	398.40	5.50	-43.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CNC(=O)C2)CC1	REAL300020311364	1	49	-1.0	-48.76	398.46	5.53	-43.23
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C#N)=CC=C2C1	REAL300020311365	1	46	-1.0	-44.60	390.72	9.00	-35.60
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020311367	0	49	-1.0	-48.64	404.90	5.31	-43.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020311367	1	49	-1.0	-48.67	404.96	5.33	-43.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020311368	0	46	-1.0	-52.43	383.45	4.54	-47.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C(N)=O)C=C2C1	REAL300020311368	1	46	-1.0	-52.38	383.41	4.52	-47.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OCC)CC1	REAL300020311369	0	51	-1.0	-48.09	430.44	9.07	-39.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OCC)CC1	REAL300020311369	1	51	-1.0	-48.11	430.49	9.10	-39.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020311370	0	48	-1.0	-40.55	384.25	9.07	-31.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020311370	1	48	-1.0	-40.53	384.31	9.08	-31.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020311371	0	45	-1.0	-42.91	365.72	8.52	-34.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020311371	1	45	-1.0	-42.90	365.78	8.53	-34.37
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020311372	0	52	-1.0	-41.52	409.58	11.06	-30.46
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(C)C)C1	REAL300020311372	1	52	-1.0	-41.53	409.61	11.05	-30.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020311373	0	48	-1.0	-48.52	397.77	5.14	-43.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020311373	1	48	-1.0	-48.52	397.83	5.16	-43.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020311374	0	45	-1.0	-49.28	376.27	4.36	-44.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCS(=O)(=O)CC2C1	REAL300020311374	1	45	-1.0	-49.27	376.32	4.38	-44.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC#C)CCO	REAL300020311375	0	40	-1.0	-44.18	350.32	3.68	-40.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC#C)CCO	REAL300020311375	1	40	-1.0	-44.16	350.38	3.69	-40.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC#C)CCO	REAL300020311376	0	37	-1.0	-45.80	328.90	2.90	-42.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC#C)CCO	REAL300020311376	1	37	-1.0	-45.80	328.84	2.88	-42.92
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC#C)CCO	REAL300020311377	0	44	-1.0	-45.42	378.53	5.61	-39.81
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC#C)CCO	REAL300020311377	1	44	-1.0	-45.35	378.59	5.59	-39.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020311378	0	52	-1.0	-39.93	437.77	11.65	-28.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020311378	1	52	-1.0	-39.99	437.82	11.66	-28.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020311379	0	49	-1.0	-43.01	410.26	10.99	-32.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2=CC=C(C)C=C2)CC1	REAL300020311379	1	49	-1.0	-43.01	410.20	10.96	-32.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020311380	0	52	-1.0	-43.90	427.60	9.55	-34.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(OC)C=C2)C1	REAL300020311380	1	52	-1.0	-43.89	427.66	9.58	-34.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020311381	0	45	-1.0	-41.54	358.04	8.61	-32.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020311381	1	45	-1.0	-41.57	358.10	8.62	-32.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC21	REAL300020311382	0	42	-1.0	-43.67	331.22	7.95	-35.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC21	REAL300020311382	1	42	-1.0	-43.65	331.16	7.92	-35.73
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020311383	0	49	-1.0	-42.53	385.72	10.56	-31.97
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCC21	REAL300020311383	1	49	-1.0	-42.54	385.75	10.55	-31.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCC	REAL300020311384	0	47	-1.0	-40.93	375.53	7.68	-33.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCC	REAL300020311384	1	47	-1.0	-40.92	375.58	7.70	-33.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCC	REAL300020311385	0	44	-1.0	-43.12	358.78	7.09	-36.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCC	REAL300020311385	1	44	-1.0	-43.10	358.72	7.07	-36.03
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CCC	REAL300020311386	0	51	-1.0	-41.67	408.06	9.85	-31.82
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CCC	REAL300020311386	1	51	-1.0	-41.62	408.10	9.84	-31.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020311387	0	48	-1.0	-48.43	393.89	4.62	-43.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020311387	1	48	-1.0	-48.42	393.95	4.63	-43.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020311388	0	45	-1.0	-48.46	377.77	4.02	-44.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1	REAL300020311388	1	45	-1.0	-48.45	377.83	4.05	-44.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020311389	0	47	-1.0	-44.41	395.45	6.65	-37.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020311389	1	47	-1.0	-44.44	395.39	6.64	-37.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020311390	0	44	-1.0	-47.64	377.58	6.00	-41.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(N2N=CC=N2)C1	REAL300020311390	1	44	-1.0	-47.66	377.53	5.97	-41.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020311391	0	49	-1.0	-42.43	396.77	7.55	-34.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020311391	1	49	-1.0	-42.41	396.82	7.56	-34.85
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020311392	0	46	-1.0	-45.06	375.22	6.76	-38.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCCO2)CC1	REAL300020311392	1	46	-1.0	-45.10	375.28	6.78	-38.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC#C)CC1	REAL300020311393	0	47	-1.0	-41.36	403.61	7.96	-33.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC#C)CC1	REAL300020311393	1	47	-1.0	-41.32	403.66	7.98	-33.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC#C)CC1	REAL300020311394	0	44	-1.0	-43.36	382.09	7.18	-36.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC#C)CC1	REAL300020311394	1	44	-1.0	-43.36	382.15	7.20	-36.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020311395	0	45	-1.0	-46.21	365.78	4.38	-41.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020311395	1	45	-1.0	-46.21	365.84	4.40	-41.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCNC(=O)CC1	REAL300020311396	0	42	-1.0	-47.44	344.01	3.80	-43.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCNC(=O)CC1	REAL300020311396	1	42	-1.0	-47.45	343.96	3.78	-43.67
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCNC(=O)CC1	REAL300020311397	0	49	-1.0	-46.96	397.87	6.81	-40.15
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCNC(=O)CC1	REAL300020311397	1	49	-1.0	-47.04	397.92	6.81	-40.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(C1)CCCCC2	REAL300020311398	0	54	-1.0	-46.54	419.87	8.97	-37.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(C1)CCCCC2	REAL300020311398	1	54	-1.0	-46.55	419.93	8.99	-37.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(N(C)C)=NO2)CC1	REAL300020311399	0	51	-1.0	-45.23	429.87	8.19	-37.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(N(C)C)=NO2)CC1	REAL300020311399	1	51	-1.0	-45.29	429.93	8.21	-37.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020311400	0	48	-1.0	-42.99	415.35	8.01	-34.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCCC(F)(F)F)C1	REAL300020311400	1	48	-1.0	-42.98	415.40	8.03	-34.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020311401	0	48	-1.0	-52.99	410.94	8.37	-44.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020311401	1	48	-1.0	-52.99	411.00	8.38	-44.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020311402	0	45	-1.0	-59.94	390.93	7.68	-52.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(NC(C)=O)C=C1	REAL300020311402	1	45	-1.0	-59.90	390.87	7.66	-52.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020311403	0	49	-1.0	-42.84	410.42	9.21	-33.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300020311403	1	49	-1.0	-42.81	410.48	9.22	-33.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020311404	0	46	-1.0	-41.15	379.38	10.29	-30.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020311404	1	46	-1.0	-41.17	379.44	10.31	-30.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CSCC(C2)C1	REAL300020311405	0	43	-1.0	-45.40	351.46	9.51	-35.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CSCC(C2)C1	REAL300020311405	1	43	-1.0	-45.39	351.52	9.53	-35.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020311406	0	54	-1.0	-42.89	430.02	11.27	-31.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=CC(C)=C2C)CC1	REAL300020311406	1	54	-1.0	-42.88	430.08	11.27	-31.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020311407	0	45	-1.0	-40.98	377.85	6.42	-34.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020311407	1	45	-1.0	-40.96	377.91	6.44	-34.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020311408	0	42	-1.0	-42.46	351.05	5.89	-36.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020311408	1	42	-1.0	-42.46	351.11	5.90	-36.56
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020311409	0	49	-1.0	-42.36	409.27	8.70	-33.66
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OC)[C@@H](F)C1	REAL300020311409	1	49	-1.0	-42.33	409.32	8.69	-33.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020311410	0	49	-1.0	-43.81	403.37	9.02	-34.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020311410	1	49	-1.0	-43.79	403.43	9.04	-34.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC2=CC=CC=C2F)C1	REAL300020311411	0	46	-1.0	-44.02	390.26	8.58	-35.44
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020311417	1	50	0.0	-59.14	382.91	8.24	-50.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC)C(C)(C)C1	REAL300020311417	1	50	0.0	-58.54	386.83	8.22	-50.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC)C(C)(C)C1	REAL300020311417	1	50	0.0	-59.13	382.96	8.27	-50.86
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020311420	0	42	-1.0	-40.11	352.09	7.83	-32.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C)C1	REAL300020311420	1	42	-1.0	-40.09	352.15	7.85	-32.24
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020311422	1	51	-1.0	-43.16	426.32	10.74	-32.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020311423	0	48	-1.0	-46.43	401.64	10.19	-36.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](CC2=CC=CC=C2)C1	REAL300020311423	1	48	-1.0	-46.43	401.69	10.21	-36.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020311424	0	51	-1.0	-39.73	395.92	9.57	-30.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020311424	1	51	-1.0	-39.70	395.97	9.58	-30.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020311425	0	48	-1.0	-43.18	372.10	8.97	-34.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCC2)C1	REAL300020311425	1	48	-1.0	-43.14	372.16	9.00	-34.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020311426	0	45	-1.0	-46.76	373.82	6.80	-39.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020311426	1	45	-1.0	-46.80	373.88	6.81	-39.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020311427	0	42	-1.0	-43.61	357.06	6.45	-37.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=C(C)C=C2C1	REAL300020311427	1	42	-1.0	-43.62	357.00	6.42	-37.20
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC#C)C1CCOCC1	REAL300020311428	0	50	-1.0	-40.84	402.93	8.24	-32.60
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC#C)C1CCOCC1	REAL300020311428	1	50	-1.0	-40.83	402.99	8.26	-32.57
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC#C)C1CCOCC1	REAL300020311429	0	47	-1.0	-43.33	387.11	6.51	-36.82
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC#C)C1CCOCC1	REAL300020311429	1	47	-1.0	-43.35	387.14	6.53	-36.82
C#CCCN(C1=NN=C(CCC2=N[N-]N=N2)N1CCC#C)C1CCCC1	REAL300020311430	0	49	-1.0	-41.39	400.44	9.10	-32.29
C#CCCN(C1=NN=C(CCC2=NN=N[N-]2)N1CCC#C)C1CCCC1	REAL300020311430	1	49	-1.0	-41.38	400.49	9.11	-32.27
C#CCCN(C1=NN=C(CC2=NN=N[N-]2)N1CCC#C)C1CCCC1	REAL300020311431	0	46	-1.0	-44.48	380.86	8.69	-35.79
C#CCCN(C1=NN=C(CC2=N[N-]N=N2)N1CCC#C)C1CCCC1	REAL300020311431	1	46	-1.0	-44.53	380.81	8.66	-35.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020311432	0	52	-1.0	-43.34	433.94	9.01	-34.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020311432	1	52	-1.0	-43.35	434.00	9.03	-34.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020311433	0	49	-1.0	-46.05	409.12	8.09	-37.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC=CC(C)=N2)CC1	REAL300020311433	1	49	-1.0	-46.07	409.17	8.11	-37.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1	REAL300020311434	0	49	-1.0	-42.93	397.25	5.87	-37.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1	REAL300020311434	1	49	-1.0	-42.93	397.30	5.90	-37.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020311435	0	42	-1.0	-40.90	373.77	9.22	-31.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020311435	1	42	-1.0	-40.91	373.82	9.23	-31.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020311436	0	39	-1.0	-42.70	357.28	8.09	-34.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC(Cl)=C2C1	REAL300020311436	1	39	-1.0	-42.67	357.22	8.06	-34.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020311437	0	45	-1.0	-51.53	371.03	4.22	-47.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020311437	1	45	-1.0	-51.50	371.09	4.23	-47.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020311438	0	42	-1.0	-56.92	351.60	3.84	-53.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CCS(=O)(=O)[C@H]2C1	REAL300020311438	1	42	-1.0	-56.96	351.65	3.86	-53.10
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020311439	0	45	-1.0	-42.00	367.81	8.38	-33.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020311439	1	45	-1.0	-42.02	367.87	8.39	-33.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020311440	0	42	-1.0	-43.99	346.30	7.59	-36.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@H](CCC2(F)F)C1	REAL300020311440	1	42	-1.0	-44.04	346.36	7.62	-36.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCCC=C	REAL300020311441	0	47	-1.0	-40.53	384.68	8.13	-32.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCCC=C	REAL300020311441	1	47	-1.0	-40.52	384.74	8.15	-32.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCCC=C	REAL300020311442	0	44	-1.0	-43.25	363.30	7.37	-35.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCCC=C	REAL300020311442	1	44	-1.0	-43.23	363.24	7.35	-35.88
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCCC=C	REAL300020311443	0	51	-1.0	-41.71	411.99	10.13	-31.58
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCCC=C	REAL300020311443	1	51	-1.0	-41.66	412.03	10.13	-31.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020311444	0	46	-1.0	-41.23	374.83	8.32	-32.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020311444	1	46	-1.0	-41.26	374.89	8.34	-32.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020311445	0	43	-1.0	-43.87	352.74	7.78	-36.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CSC[C@@]2(C)C1	REAL300020311445	1	43	-1.0	-43.86	352.80	7.80	-36.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020311446	0	54	-1.0	-42.87	433.89	11.36	-31.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC=C2C)CC1	REAL300020311446	1	54	-1.0	-42.84	433.95	11.38	-31.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020311447	0	54	-1.0	-42.92	437.57	11.48	-31.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=CC(C)=C2)CC1	REAL300020311447	1	54	-1.0	-42.95	437.62	11.50	-31.45
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C#C	REAL300020311448	0	40	-1.0	-43.09	336.32	7.46	-35.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C#C	REAL300020311448	1	40	-1.0	-43.15	336.38	7.47	-35.68
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1C#C	REAL300020311449	0	44	-1.0	-44.05	373.73	9.98	-34.07
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1C#C	REAL300020311449	1	44	-1.0	-44.06	373.75	9.97	-34.09
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020311450	0	49	-1.0	-42.14	419.29	8.58	-33.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020311450	1	49	-1.0	-42.11	419.34	8.60	-33.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020311451	0	46	-1.0	-45.46	397.20	8.05	-37.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OCC2=CC=CC=C2F)C1	REAL300020311451	1	46	-1.0	-45.42	397.26	8.07	-37.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020311452	0	48	-1.0	-47.66	410.76	6.50	-41.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020311452	1	48	-1.0	-47.68	410.81	6.51	-41.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020311453	0	45	-1.0	-44.26	395.30	6.30	-37.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(C(=O)OC)=C2C1	REAL300020311453	1	45	-1.0	-44.28	395.36	6.33	-37.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020311454	0	48	-1.0	-41.40	383.45	9.25	-32.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020311454	1	48	-1.0	-41.36	383.51	9.26	-32.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020311455	0	45	-1.0	-44.76	366.68	8.63	-36.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C1CC	REAL300020311455	1	45	-1.0	-44.76	366.63	8.61	-36.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020311456	0	52	-1.0	-41.99	410.44	8.49	-33.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020311456	1	52	-1.0	-41.96	410.50	8.51	-33.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1CCCCO1	REAL300020311457	0	49	-1.0	-42.79	384.29	6.14	-36.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1CCCCO1	REAL300020311457	1	49	-1.0	-42.79	384.34	6.17	-36.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020311458	0	48	-1.0	-48.67	416.99	9.44	-39.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C2=CC=CC=C2)C=C1	REAL300020311458	1	48	-1.0	-48.67	417.05	9.46	-39.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1C#C	REAL300020311459	0	43	-1.0	-41.38	365.07	7.80	-33.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1C#C	REAL300020311459	1	43	-1.0	-41.36	365.13	7.81	-33.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1C#C	REAL300020311460	0	40	-1.0	-43.98	341.36	7.60	-36.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1C#C	REAL300020311460	1	40	-1.0	-43.95	341.33	7.57	-36.38
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1C#C	REAL300020311461	0	47	-1.0	-43.97	382.88	10.44	-33.53
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1C#C	REAL300020311461	1	47	-1.0	-43.93	382.84	10.42	-33.51
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020311480	0	44	-1.0	-44.46	381.17	7.39	-37.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC2=NC=CS2)C1	REAL300020311480	1	44	-1.0	-44.46	381.23	7.41	-37.05
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020311481	0	48	-1.0	-44.78	389.05	12.52	-32.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020311481	1	48	-1.0	-44.78	389.11	12.54	-32.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020311482	0	45	-1.0	-48.07	366.97	12.01	-36.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C21	REAL300020311482	1	45	-1.0	-48.08	366.91	11.99	-36.09
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020311483	0	45	-1.0	-40.74	357.95	8.19	-32.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020311483	1	45	-1.0	-40.76	358.01	8.21	-32.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020311484	0	42	-1.0	-43.05	338.69	7.57	-35.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020311484	1	42	-1.0	-43.01	338.64	7.55	-35.46
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020311485	0	49	-1.0	-41.80	385.17	10.12	-31.68
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2CCC[C@@H]2C1	REAL300020311485	1	49	-1.0	-41.79	385.20	10.11	-31.68
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(=C)C1	REAL300020311486	0	43	-1.0	-42.30	349.47	8.41	-33.89
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(=C)C1	REAL300020311486	1	43	-1.0	-42.17	349.51	8.39	-33.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N(C)CC(F)(F)F)CC1	REAL300020311487	0	49	-1.0	-43.74	404.42	6.66	-37.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N(C)CC(F)(F)F)CC1	REAL300020311487	1	49	-1.0	-43.76	404.48	6.69	-37.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020311488	0	47	-1.0	-45.62	390.47	1.87	-43.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020311488	1	47	-1.0	-45.64	390.53	1.88	-43.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020311489	0	44	-1.0	-48.37	363.42	1.18	-47.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@]2(CO)C[C@@]2(CO)C1	REAL300020311489	1	44	-1.0	-48.37	363.47	1.21	-47.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020311490	0	47	-1.0	-40.25	376.90	6.88	-33.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020311490	1	47	-1.0	-40.26	376.95	6.89	-33.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020311491	0	44	-1.0	-42.29	346.78	6.03	-36.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCC2(COC3)C1	REAL300020311491	1	44	-1.0	-42.31	346.83	6.05	-36.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CCC	REAL300020311492	0	44	-1.0	-40.08	370.70	8.33	-31.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CCC	REAL300020311492	1	44	-1.0	-40.06	370.75	8.35	-31.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CCC	REAL300020311493	0	41	-1.0	-41.89	349.32	7.57	-34.32
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C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC=C)CCC	REAL300020311494	0	48	-1.0	-41.41	402.23	9.84	-31.57
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC=C)CCC	REAL300020311494	1	48	-1.0	-41.38	402.27	9.83	-31.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020311495	0	54	0.0	-65.42	426.17	10.84	-54.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1	REAL300020311495	1	54	0.0	-62.75	424.06	10.79	-51.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=CC=C2)[C@H](C)C1	REAL300020311495	1	53	-1.0	-42.88	422.24	8.01	-34.87
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020311496	0	42	-1.0	-41.56	369.76	6.27	-35.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020311496	1	42	-1.0	-41.57	369.82	6.28	-35.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020311497	0	39	-1.0	-42.60	347.22	5.64	-36.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](C(F)(F)F)C1	REAL300020311497	1	39	-1.0	-42.59	347.27	5.65	-36.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020311498	0	42	-1.0	-41.51	372.78	6.37	-35.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020311498	1	42	-1.0	-41.49	372.84	6.39	-35.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020311499	0	39	-1.0	-42.88	343.10	5.49	-37.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](C(F)(F)F)C1	REAL300020311499	1	39	-1.0	-42.91	343.16	5.52	-37.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020311500	0	44	-1.0	-43.81	382.85	6.78	-37.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020311500	1	44	-1.0	-43.83	382.91	6.80	-37.03
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020311501	0	41	-1.0	-45.78	361.41	6.02	-39.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020311501	1	41	-1.0	-45.82	361.36	6.00	-39.82
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020311502	0	48	-1.0	-44.68	405.32	9.07	-35.61
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN(C)C=C1	REAL300020311502	1	48	-1.0	-44.70	405.36	9.07	-35.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020311503	0	45	-1.0	-43.76	388.95	6.96	-36.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020311503	1	45	-1.0	-43.80	389.01	6.97	-36.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020311504	0	42	-1.0	-44.84	353.58	5.53	-39.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)N(C)N=C2C1	REAL300020311504	1	42	-1.0	-44.83	353.52	5.51	-39.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020311505	0	49	-1.0	-41.07	411.85	9.86	-31.21
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020311505	1	49	-1.0	-41.09	411.91	9.87	-31.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020311506	0	46	-1.0	-48.67	377.29	8.76	-39.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CC=CS1	REAL300020311506	1	46	-1.0	-48.62	377.23	8.73	-39.89
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020311507	0	46	-1.0	-42.45	399.97	9.76	-32.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020311507	1	46	-1.0	-42.48	400.03	9.78	-32.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020311508	0	43	-1.0	-46.47	372.40	9.12	-37.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C#N)C=CC=C2C1	REAL300020311508	1	43	-1.0	-46.47	372.35	9.09	-37.38
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020311510	0	44	-1.0	-53.41	351.36	7.61	-45.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC(=O)C1C2	REAL300020311510	1	44	-1.0	-53.43	351.31	7.60	-45.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020311511	0	45	-1.0	-40.91	365.13	5.36	-35.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020311511	1	45	-1.0	-40.93	365.19	5.38	-35.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCOCC1	REAL300020311512	0	42	-1.0	-42.48	347.79	4.77	-37.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCOCC1	REAL300020311512	1	42	-1.0	-42.45	347.74	4.75	-37.70
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCOCC1	REAL300020311513	0	49	-1.0	-42.02	396.04	7.44	-34.58
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020311529	1	51	-1.0	-42.70	402.36	10.68	-32.02
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2=CC=CC=C2C1	REAL300020311530	1	48	-1.0	-42.64	385.24	10.03	-32.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020311531	0	50	-1.0	-46.40	420.30	9.45	-36.95
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020311532	0	47	-1.0	-48.09	398.85	8.69	-39.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=C(CC)N(C)N=C1CC	REAL300020311532	1	47	-1.0	-48.06	398.79	8.66	-39.40
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(C)(C)C1	REAL300020311533	0	48	-1.0	-39.42	378.19	7.31	-32.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020311533	1	48	-1.0	-39.48	378.25	7.32	-32.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(C)(C)C1	REAL300020311534	0	45	-1.0	-43.76	337.59	5.07	-38.69
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C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020311535	0	52	-1.0	-41.19	406.01	9.53	-31.66
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC(C)(C)C1	REAL300020311535	1	52	-1.0	-41.12	406.06	9.51	-31.61
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020311536	1	46	-1.0	-41.52	372.19	6.58	-34.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2COCCC21	REAL300020311537	0	43	-1.0	-43.75	348.93	5.88	-37.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2COCCC21	REAL300020311537	1	43	-1.0	-43.74	348.87	5.87	-37.87
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C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2COCCC21	REAL300020311538	1	50	-1.0	-43.54	388.88	7.86	-35.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCCC=C	REAL300020311539	0	47	-1.0	-40.62	389.62	9.12	-31.50
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C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCCC=C	REAL300020311541	0	51	-1.0	-41.04	425.28	11.01	-30.03
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCCC=C	REAL300020311541	1	51	-1.0	-41.04	425.32	11.00	-30.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020311542	0	54	-1.0	-43.09	439.48	10.07	-33.02
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020311542	1	54	-1.0	-43.11	439.53	10.08	-33.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020311543	0	51	-1.0	-44.02	430.53	9.34	-34.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC(C)=CC(C)=C1	REAL300020311543	1	51	-1.0	-44.01	430.60	9.36	-34.65
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC)CC[N@H+](CC)CC1	REAL300020311544	1	58	0.0	-60.71	403.15	9.66	-51.05
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020311546	0	38	-1.0	-42.25	337.95	6.91	-35.34
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C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020311547	0	45	-1.0	-43.42	383.99	9.83	-33.59
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(F)(F)C1	REAL300020311547	1	45	-1.0	-43.41	384.01	9.81	-33.60
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC1OC	REAL300020311548	0	45	-1.0	-41.86	368.14	6.40	-35.46
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC1OC	REAL300020311549	0	42	-1.0	-45.70	349.57	5.57	-40.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC1OC	REAL300020311549	1	42	-1.0	-45.69	349.51	5.55	-40.14
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCC1OC	REAL300020311550	0	49	-1.0	-42.46	404.74	8.68	-33.78
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCC=C)C1	REAL300020311551	0	46	-1.0	-42.56	377.80	6.87	-35.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCC=C)C1	REAL300020311551	1	46	-1.0	-42.60	377.85	6.89	-35.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](OCC=C)C1	REAL300020311552	0	43	-1.0	-45.02	361.23	6.24	-38.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](OCC=C)C1	REAL300020311552	1	43	-1.0	-45.03	361.29	6.26	-38.77
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@H](OCC=C)C1	REAL300020311553	0	50	-1.0	-42.55	417.70	9.20	-33.35
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@H](OCC=C)C1	REAL300020311553	1	50	-1.0	-42.57	417.73	9.18	-33.39
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#C)CC1	REAL300020311554	1	46	-1.0	-41.30	390.05	9.27	-32.03
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#C)CC1	REAL300020311555	1	43	-1.0	-43.93	368.43	8.47	-35.46
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#C)CC1	REAL300020311556	0	50	-1.0	-129.94	432.24	11.57	-118.37
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#C)CC1	REAL300020311556	1	50	-1.0	-129.96	432.25	11.56	-118.40
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC=CC(OC)=C1	REAL300020311557	0	52	-1.0	-45.14	423.02	10.00	-35.14
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=NOC(C)=N2)CC1	REAL300020311562	0	45	-1.0	-45.41	386.88	5.33	-40.08
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020311563	0	48	-1.0	-40.72	392.09	6.96	-33.76
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C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020311564	0	45	-1.0	-42.39	374.27	6.30	-36.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020311564	1	45	-1.0	-42.40	374.33	6.33	-36.07
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020311565	0	52	-1.0	-42.56	419.18	9.25	-33.31
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C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC(C)C	REAL300020311576	1	53	-1.0	-40.68	430.08	10.96	-29.72
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C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCN1C=CN=C1	REAL300020311579	0	48	-1.0	-47.99	401.84	10.77	-37.22
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCN1C=CN=C1	REAL300020311579	1	48	-1.0	-47.97	401.88	10.75	-37.22
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020311580	1	53	-1.0	-41.12	429.50	5.43	-35.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020311580	1	54	0.0	-68.21	419.49	7.63	-60.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCN1CCOCC1	REAL300020311581	0	50	-1.0	-42.97	407.94	4.63	-38.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCN1CCOCC1	REAL300020311581	1	50	-1.0	-42.95	408.01	4.66	-38.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC[NH+]1CCOCC1	REAL300020311581	1	51	0.0	-68.80	410.51	6.92	-61.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020311582	0	52	-1.0	-42.73	428.52	8.32	-34.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020311582	1	52	-1.0	-42.78	428.58	8.34	-34.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020311583	0	49	-1.0	-43.85	410.69	7.63	-36.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=NC(N(C)C)=C2C1	REAL300020311583	1	49	-1.0	-43.83	410.75	7.65	-36.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020311584	0	48	-1.0	-40.61	398.47	9.42	-31.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020311584	1	48	-1.0	-40.59	398.52	9.43	-31.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCSCC1	REAL300020311585	0	45	-1.0	-42.73	380.52	8.75	-33.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCSCC1	REAL300020311585	1	45	-1.0	-42.89	380.73	8.75	-34.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020311586	0	44	-1.0	-42.19	379.71	8.18	-34.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020311586	1	44	-1.0	-42.20	379.77	8.19	-34.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=CN1C	REAL300020311587	0	41	-1.0	-43.64	352.01	7.52	-36.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=CN1C	REAL300020311587	1	41	-1.0	-43.63	352.07	7.54	-36.09
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=CN=CN1C	REAL300020311588	0	48	-1.0	-44.24	396.31	10.16	-34.08
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=CN=CN1C	REAL300020311588	1	48	-1.0	-44.21	396.33	10.15	-34.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020311589	0	54	0.0	-76.41	419.28	8.12	-68.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020311589	1	54	0.0	-61.92	426.11	8.45	-53.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020311589	1	54	0.0	-76.42	419.34	8.15	-68.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1	REAL300020311589	1	54	0.0	-61.93	426.16	8.47	-53.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020311590	0	51	-1.0	-39.54	406.41	7.36	-32.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020311590	1	51	-1.0	-39.55	406.46	7.37	-32.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020311591	0	48	-1.0	-41.66	369.19	6.28	-35.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)OCC(C)(C)C1	REAL300020311591	1	48	-1.0	-41.67	369.25	6.29	-35.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020311592	0	53	-1.0	-43.02	421.15	4.52	-38.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020311592	1	53	-1.0	-43.04	421.21	4.53	-38.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC(CO)C2)CC1	REAL300020311593	0	50	-1.0	-44.95	404.76	3.83	-41.12
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCOC)C1	REAL300020311594	0	51	-1.0	-41.57	415.38	7.93	-33.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCOC)C1	REAL300020311594	1	51	-1.0	-41.57	415.44	7.94	-33.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCOC)C1	REAL300020311595	0	48	-1.0	-45.26	380.04	6.47	-38.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCOC)C1	REAL300020311595	1	48	-1.0	-45.26	380.11	6.49	-38.77
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020311596	1	52	0.0	-65.33	422.11	10.42	-54.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020311597	0	48	-1.0	-46.29	396.68	9.29	-37.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CN=CN2C)CC1	REAL300020311597	1	48	-1.0	-46.31	396.73	9.31	-37.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=C[NH+]=CN2C)CC1	REAL300020311597	1	49	0.0	-66.29	400.16	9.82	-56.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020311598	0	42	-1.0	-46.84	370.95	8.32	-38.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C(F)=C2C1	REAL300020311598	1	42	-1.0	-46.85	371.01	8.35	-38.50
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CC#C	REAL300020311599	1	46	-1.0	-41.92	366.90	7.40	-34.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CC#C	REAL300020311600	0	43	-1.0	-44.90	333.87	6.39	-38.51
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C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCCC1CC#C	REAL300020311601	0	50	-1.0	-43.40	381.69	8.61	-34.79
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCCC1CC#C	REAL300020311601	1	50	-1.0	-43.36	381.76	8.59	-34.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020311602	0	42	-1.0	-41.88	377.94	9.34	-32.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300020311602	1	42	-1.0	-41.90	378.00	9.36	-32.54
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020311603	0	59	0.0	-60.95	443.94	9.18	-51.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020311603	1	59	0.0	-60.94	443.99	9.19	-51.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020311604	0	56	0.0	-62.01	422.42	8.40	-53.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC[NH+](C(C)(C)C)CC1	REAL300020311604	1	56	0.0	-62.01	422.48	8.42	-53.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020311605	0	42	-1.0	-41.52	376.38	9.30	-32.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300020311605	1	42	-1.0	-41.53	376.43	9.31	-32.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020311606	0	49	-1.0	-41.99	418.29	9.39	-32.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020311606	1	49	-1.0	-41.97	418.35	9.40	-32.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020311607	0	46	-1.0	-45.93	389.11	8.74	-37.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=NC2=CC=CC=C12	REAL300020311607	1	46	-1.0	-45.95	389.06	8.72	-37.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020311608	0	48	-1.0	-43.46	396.19	9.23	-34.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020311608	1	48	-1.0	-43.48	396.25	9.25	-34.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(C)C(F)=C2C1	REAL300020311609	0	45	-1.0	-46.94	375.14	8.49	-38.45
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020311610	0	48	-1.0	-42.02	404.09	10.27	-31.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020311610	1	48	-1.0	-42.07	404.14	10.29	-31.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020311611	0	45	-1.0	-46.67	376.25	8.51	-38.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(F)=C2C1	REAL300020311611	1	45	-1.0	-46.71	376.20	8.48	-38.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020311612	0	52	-1.0	-40.56	394.72	8.22	-32.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020311612	1	52	-1.0	-40.57	394.78	8.23	-32.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020311613	0	49	-1.0	-44.22	378.20	7.16	-37.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@]12CCC[C@H]1OCC2	REAL300020311613	1	49	-1.0	-44.18	378.25	7.19	-36.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020311614	0	54	-1.0	-40.26	438.10	11.43	-28.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(C)C=C2)CC1	REAL300020311614	1	54	-1.0	-40.24	438.16	11.44	-28.80
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020311621	1	48	-1.0	-47.99	399.16	5.30	-42.69
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CS(=O)(=O)C2)CC1	REAL300020311622	1	45	-1.0	-51.49	376.81	4.68	-46.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020311623	0	47	-1.0	-40.93	383.81	5.70	-35.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020311623	1	47	-1.0	-40.94	383.87	5.72	-35.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020311624	0	44	-1.0	-44.46	359.87	5.12	-39.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2OCCO[C@H]2C1	REAL300020311624	1	44	-1.0	-44.46	359.93	5.14	-39.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020311625	0	52	-1.0	-42.69	425.72	6.12	-36.57
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020311625	1	52	-1.0	-42.67	425.77	6.13	-36.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020311626	0	49	-1.0	-45.94	400.61	5.13	-40.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](COC)[C@H](COC)C1	REAL300020311626	1	49	-1.0	-45.89	400.67	5.16	-40.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020311627	0	50	-1.0	-40.77	384.65	9.21	-31.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020311627	1	50	-1.0	-40.76	384.71	9.23	-31.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC)(CC)C1	REAL300020311628	0	47	-1.0	-42.72	357.73	8.53	-34.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC)(CC)C1	REAL300020311628	1	47	-1.0	-42.73	357.79	8.55	-34.18
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020311629	0	54	-1.0	-41.84	412.28	10.52	-31.32
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC)(CC)C1	REAL300020311629	1	54	-1.0	-41.85	412.30	10.52	-31.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020311630	0	49	-1.0	-40.60	405.20	7.50	-33.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020311630	1	49	-1.0	-40.60	405.26	7.51	-33.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020311631	0	46	-1.0	-43.06	383.69	6.71	-36.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C2(CCOC2)C1	REAL300020311631	1	46	-1.0	-43.09	383.75	6.74	-36.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020311632	0	46	-1.0	-41.57	375.19	6.79	-34.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020311632	1	46	-1.0	-41.51	375.25	6.80	-34.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020311633	0	43	-1.0	-43.97	358.63	6.15	-37.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020311633	1	43	-1.0	-43.95	358.69	6.18	-37.77
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020311634	0	50	-1.0	-41.79	400.28	8.35	-33.44
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)C2(CC2)C1	REAL300020311634	1	50	-1.0	-41.78	400.32	8.34	-33.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020311635	0	52	-1.0	-46.45	406.55	7.21	-39.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020311635	1	52	-1.0	-46.43	406.61	7.22	-39.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020311636	0	49	-1.0	-51.40	389.99	6.57	-44.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCN(C)C2=O	REAL300020311636	1	49	-1.0	-51.42	390.05	6.60	-44.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020311637	0	51	-1.0	-48.78	411.40	7.29	-41.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020311637	1	51	-1.0	-48.80	411.45	7.31	-41.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020311638	0	48	-1.0	-49.25	392.22	6.94	-42.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=NN1C	REAL300020311638	1	48	-1.0	-49.26	392.27	6.96	-42.30
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020311639	0	45	-1.0	-47.69	370.12	7.28	-40.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020311639	1	45	-1.0	-47.75	370.18	7.30	-40.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020311640	0	42	-1.0	-52.62	346.63	6.79	-45.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCOC2=O)C1	REAL300020311640	1	42	-1.0	-52.62	346.69	6.82	-45.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020311641	0	51	-1.0	-47.01	404.16	7.51	-39.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020311641	1	51	-1.0	-46.96	404.21	7.52	-39.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020311642	0	48	-1.0	-51.17	382.66	6.72	-44.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=NN1C	REAL300020311642	1	48	-1.0	-51.23	382.71	6.75	-44.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020311643	0	45	-1.0	-43.31	382.77	8.10	-35.21
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020311643	1	45	-1.0	-43.31	382.83	8.12	-35.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020311644	0	42	-1.0	-48.98	353.99	7.13	-41.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=CN=C2C)C1	REAL300020311644	1	42	-1.0	-48.98	354.05	7.15	-41.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020311645	0	52	-1.0	-42.34	420.05	7.46	-34.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020311645	1	52	-1.0	-42.30	420.10	7.47	-34.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020311646	0	49	-1.0	-44.67	403.35	6.81	-37.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC(C)(C)C)C1	REAL300020311646	1	49	-1.0	-44.71	403.41	6.84	-37.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020311647	0	52	-1.0	-41.70	418.45	8.45	-33.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020311647	1	52	-1.0	-41.69	418.51	8.46	-33.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020311648	0	49	-1.0	-47.60	391.20	7.44	-40.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1C	REAL300020311648	1	49	-1.0	-47.59	391.14	7.42	-40.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020311649	0	51	-1.0	-42.74	412.69	10.04	-32.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020311649	1	51	-1.0	-42.77	412.75	10.05	-32.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020311650	0	48	-1.0	-45.34	392.44	9.66	-35.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(CC)=CC=C2C1	REAL300020311650	1	48	-1.0	-45.33	392.38	9.65	-35.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020311651	0	47	-1.0	-41.35	365.31	8.17	-33.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020311651	1	47	-1.0	-41.34	365.37	8.18	-33.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)C1C	REAL300020311652	0	44	-1.0	-45.36	346.07	7.83	-37.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)C1C	REAL300020311652	1	44	-1.0	-45.35	346.01	7.80	-37.55
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(C)C1C	REAL300020311653	0	51	-1.0	-41.54	405.61	10.25	-31.29
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(C)C1C	REAL300020311653	1	51	-1.0	-41.49	405.66	10.24	-31.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020311654	0	42	-1.0	-44.98	343.85	2.92	-42.06
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020311654	1	42	-1.0	-44.99	343.91	2.93	-42.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020311655	0	39	-1.0	-44.93	322.24	2.11	-42.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNC(=O)C(F)(F)C1	REAL300020311655	1	39	-1.0	-44.95	322.30	2.13	-42.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020311656	0	39	-1.0	-38.65	355.96	7.93	-30.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020311656	1	39	-1.0	-38.62	356.01	7.94	-30.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(Br)CC1	REAL300020311657	0	36	-1.0	-40.71	330.46	7.20	-33.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(Br)CC1	REAL300020311657	1	36	-1.0	-40.67	330.52	7.22	-33.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020311658	0	52	-1.0	-42.84	422.42	11.54	-31.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020311658	1	52	-1.0	-42.87	422.47	11.56	-31.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020311659	0	58	0.0	-67.07	431.44	10.45	-56.62
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020311659	1	58	0.0	-67.04	431.49	10.47	-56.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020311660	0	55	0.0	-68.95	404.37	9.75	-59.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23C[NH+](C)CC2(C1)CCCC3	REAL300020311660	1	55	0.0	-68.97	404.43	9.77	-59.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020311661	0	51	-1.0	-44.85	411.77	8.81	-36.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020311661	1	51	-1.0	-44.80	411.82	8.82	-35.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020311662	0	48	-1.0	-47.67	400.44	8.21	-39.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)C2(CCC2)C1	REAL300020311662	1	48	-1.0	-47.69	400.49	8.24	-39.45
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020311663	0	50	-1.0	-42.96	414.20	9.25	-33.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020311663	1	50	-1.0	-42.94	414.25	9.26	-33.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020311664	0	47	-1.0	-47.71	392.72	8.65	-39.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1CCC(F)(F)F	REAL300020311664	1	47	-1.0	-47.71	392.78	8.67	-39.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020311665	0	49	-1.0	-43.93	421.54	7.66	-36.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020311665	1	49	-1.0	-43.93	421.60	7.68	-36.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020311666	0	46	-1.0	-46.41	399.60	7.06	-39.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)S2)CC1	REAL300020311666	1	46	-1.0	-46.39	399.66	7.08	-39.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CCOC)C1	REAL300020311667	0	49	-1.0	-41.80	406.17	5.52	-36.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CCOC)C1	REAL300020311667	1	49	-1.0	-41.81	406.23	5.54	-36.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CCOC)C1	REAL300020311668	0	46	-1.0	-43.86	388.43	4.88	-38.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CCOC)C1	REAL300020311668	1	46	-1.0	-43.84	388.49	4.89	-38.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020311669	0	51	-1.0	-42.56	427.21	10.17	-32.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020311669	1	51	-1.0	-42.55	427.27	10.19	-32.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020311670	0	48	-1.0	-45.08	399.83	9.34	-35.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=NC(N(C)C)=NC=C2C1	REAL300020311670	1	48	-1.0	-45.08	399.89	9.36	-35.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020311671	0	54	-1.0	-42.54	445.73	9.56	-32.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020311671	1	54	-1.0	-42.56	445.78	9.58	-32.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020311672	0	51	-1.0	-44.77	420.90	8.64	-36.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2N=C(C)C=C2C)CC1	REAL300020311672	1	51	-1.0	-44.82	420.96	8.66	-36.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020311673	0	46	-1.0	-43.46	380.83	5.77	-37.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020311673	1	46	-1.0	-43.40	380.88	5.78	-37.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020311674	0	43	-1.0	-45.28	360.36	4.96	-40.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1	REAL300020311674	1	43	-1.0	-45.29	360.31	4.94	-40.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020311675	0	49	-1.0	-40.73	420.17	10.46	-30.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020311675	1	49	-1.0	-40.74	420.22	10.47	-30.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020311676	0	46	-1.0	-42.50	398.48	9.65	-32.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CC2=CC=CS2)CC1	REAL300020311676	1	46	-1.0	-42.46	398.54	9.68	-32.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020311677	0	49	-1.0	-49.21	411.86	11.30	-37.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC=C1N1C=CC=C1	REAL300020311677	1	49	-1.0	-49.20	411.80	11.28	-37.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020311678	0	53	-1.0	-40.22	407.36	10.98	-29.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020311678	1	53	-1.0	-40.23	407.42	10.99	-29.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020311679	0	50	-1.0	-41.17	391.55	10.43	-30.74
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1(CC(C)C)CC1	REAL300020311679	1	50	-1.0	-41.16	391.61	10.46	-30.70
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020311680	0	51	-1.0	-43.66	409.66	7.20	-36.46
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020311680	1	51	-1.0	-43.65	409.72	7.21	-36.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020311681	0	48	-1.0	-45.13	391.85	6.55	-38.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)CCO2	REAL300020311681	1	48	-1.0	-45.15	391.91	6.57	-38.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020311682	0	47	-1.0	-42.70	391.30	7.72	-34.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020311682	1	47	-1.0	-42.70	391.35	7.74	-34.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020311683	0	44	-1.0	-44.62	373.09	7.13	-37.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC2=C1OCO2	REAL300020311683	1	44	-1.0	-44.62	373.03	7.11	-37.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC=C	REAL300020311684	0	44	-1.0	-40.59	368.13	8.34	-32.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC=C	REAL300020311684	1	44	-1.0	-40.59	368.18	8.36	-32.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC=C	REAL300020311685	0	41	-1.0	-41.62	353.98	7.49	-34.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC=C	REAL300020311685	1	41	-1.0	-41.60	353.91	7.47	-34.13
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCCC=C	REAL300020311686	0	48	-1.0	-40.91	403.78	10.23	-30.68
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCCC=C	REAL300020311686	1	48	-1.0	-40.88	403.82	10.22	-30.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020311687	0	49	-1.0	-40.79	394.61	7.52	-33.27
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020311687	1	49	-1.0	-40.75	394.67	7.53	-33.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020311688	0	46	-1.0	-44.27	372.81	6.87	-37.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)C1	REAL300020311688	1	46	-1.0	-44.30	372.87	6.89	-37.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC(=C)Br	REAL300020311689	0	42	-1.0	-42.31	383.12	7.85	-34.46
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC(=C)Br	REAL300020311689	1	42	-1.0	-42.32	383.18	7.86	-34.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC(=C)Br	REAL300020311690	0	39	-1.0	-41.32	356.67	7.52	-33.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC(=C)Br	REAL300020311690	1	39	-1.0	-41.28	356.72	7.53	-33.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020311691	0	47	-1.0	-41.69	398.60	10.20	-31.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020311691	1	47	-1.0	-41.70	398.66	10.22	-31.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020311692	0	44	-1.0	-45.44	377.61	8.81	-36.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H](C)C1=CC=CC=C1Cl	REAL300020311692	1	44	-1.0	-45.44	377.56	8.80	-36.64
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020311693	0	40	-1.0	-49.15	339.06	6.12	-43.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020311693	1	40	-1.0	-49.18	339.11	6.14	-43.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020311694	0	37	-1.0	-49.43	322.50	5.49	-43.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020311694	1	37	-1.0	-49.43	322.55	5.51	-43.92
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020311695	0	44	-1.0	-50.72	371.54	8.22	-42.50
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OC(=O)O[C@H]2C1	REAL300020311695	1	44	-1.0	-50.68	371.54	8.21	-42.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020311696	0	46	-1.0	-40.43	379.77	6.60	-33.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020311696	1	46	-1.0	-40.43	379.83	6.62	-33.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(COC2)C1	REAL300020311697	0	43	-1.0	-42.52	358.56	5.65	-36.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(COC2)C1	REAL300020311697	1	43	-1.0	-42.49	358.62	5.67	-36.82
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020311698	0	50	-1.0	-42.88	396.01	8.45	-34.43
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(COC2)C1	REAL300020311698	1	50	-1.0	-42.87	396.04	8.43	-34.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020311699	0	47	-1.0	-45.25	385.40	7.48	-37.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020311699	1	47	-1.0	-45.28	385.46	7.49	-37.79
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020311700	0	44	-1.0	-47.30	353.74	6.94	-40.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CN(C)N=N1)C1CC1	REAL300020311700	1	44	-1.0	-47.32	353.69	6.91	-40.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020311701	0	42	-1.0	-40.55	352.62	5.74	-34.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020311701	1	42	-1.0	-40.53	352.68	5.76	-34.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020311702	0	39	-1.0	-43.20	330.53	5.20	-38.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020311702	1	39	-1.0	-43.23	330.58	5.23	-38.00
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020311703	0	46	-1.0	-41.68	382.21	7.66	-34.02
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](F)[C@H](OC)C1	REAL300020311703	1	46	-1.0	-41.69	382.24	7.65	-34.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020311704	0	49	-1.0	-44.90	398.32	6.04	-38.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020311704	1	49	-1.0	-44.88	398.37	6.06	-38.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020311705	0	46	-1.0	-47.63	372.45	5.30	-42.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC=C2C1C	REAL300020311705	1	46	-1.0	-47.60	372.39	5.28	-42.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020311706	0	51	-1.0	-52.66	412.35	5.18	-47.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020311706	1	51	-1.0	-52.64	412.41	5.20	-47.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	REAL300020311707	0	53	-1.0	-49.82	436.14	6.05	-43.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1	REAL300020311707	1	53	-1.0	-49.82	436.19	6.07	-43.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC=C)(C(=O)OCC)C1	REAL300020311708	0	54	-1.0	-48.67	438.54	10.55	-38.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC=C)(C(=O)OCC)C1	REAL300020311708	1	54	-1.0	-48.68	438.60	10.57	-38.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020311709	0	56	-1.0	-40.58	435.21	10.61	-29.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020311709	1	56	-1.0	-40.57	435.26	10.63	-29.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020311710	0	53	-1.0	-43.76	410.78	9.59	-34.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(C)(C)C)C1	REAL300020311710	1	53	-1.0	-43.76	410.84	9.62	-34.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020311711	0	51	-1.0	-40.43	398.68	9.28	-31.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020311711	1	51	-1.0	-40.46	398.74	9.30	-31.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020311712	0	48	-1.0	-42.96	377.18	8.50	-34.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC1CC	REAL300020311712	1	48	-1.0	-42.98	377.24	8.52	-34.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)SC(C(=O)OC)=C2	REAL300020311713	0	45	-1.0	-47.13	397.14	7.97	-39.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)SC(C(=O)OC)=C2	REAL300020311713	1	45	-1.0	-47.14	397.19	7.99	-39.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020311714	0	43	-1.0	-47.22	369.06	5.85	-41.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1CN2C(=O)C(F)(F)F	REAL300020311714	1	43	-1.0	-47.26	369.12	5.87	-41.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020311715	0	44	-1.0	-44.05	371.13	8.10	-35.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020311715	1	44	-1.0	-44.03	371.19	8.11	-35.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)F)C1	REAL300020311716	0	41	-1.0	-42.30	354.35	7.48	-34.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)F)C1	REAL300020311716	1	41	-1.0	-42.28	354.41	7.50	-34.78
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C(F)F)C1	REAL300020311717	0	48	-1.0	-42.05	404.22	10.23	-31.82
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C(F)F)C1	REAL300020311717	1	48	-1.0	-42.02	404.27	10.22	-31.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020311718	0	51	-1.0	-46.57	436.11	9.62	-36.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020311718	1	51	-1.0	-46.57	436.05	9.61	-36.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020311719	0	48	-1.0	-47.67	413.84	8.87	-38.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCC(=O)N(C)C)C=C1	REAL300020311719	1	48	-1.0	-47.64	413.78	8.83	-38.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020311720	0	42	-1.0	-50.25	374.38	7.43	-42.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020311720	1	42	-1.0	-50.24	374.43	7.46	-42.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020311721	0	54	-1.0	-42.61	430.06	10.53	-32.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020311721	1	54	-1.0	-42.62	430.11	10.54	-32.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020311722	0	51	-1.0	-45.13	409.87	10.14	-34.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)C)=CC=C2C1	REAL300020311722	1	51	-1.0	-45.12	409.81	10.13	-34.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020311723	0	54	-1.0	-44.89	425.51	10.13	-34.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C(C)(C)C)=CC=C2C1	REAL300020311723	1	54	-1.0	-44.90	425.56	10.15	-34.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020311724	0	49	-1.0	-40.71	412.84	10.22	-30.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020311724	1	49	-1.0	-40.71	412.90	10.24	-30.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020311725	0	48	-1.0	-50.42	397.23	4.97	-45.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020311725	1	48	-1.0	-50.45	397.29	4.99	-45.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020311726	0	45	-1.0	-52.43	371.55	4.17	-48.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCS(=O)(=O)C2)C1	REAL300020311726	1	45	-1.0	-52.47	371.61	4.20	-48.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020311727	0	49	-1.0	-42.56	416.78	8.92	-33.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020311727	1	49	-1.0	-42.57	416.84	8.94	-33.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020311728	0	46	-1.0	-45.87	391.13	8.20	-37.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCC1=CC=CC=N1	REAL300020311728	1	46	-1.0	-45.90	391.19	8.21	-37.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020311729	0	52	-1.0	-43.23	438.84	9.72	-33.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020311729	1	52	-1.0	-43.26	438.90	9.74	-33.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020311730	0	49	-1.0	-46.03	413.03	9.06	-36.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2=CC=CC=C2)C1	REAL300020311730	1	49	-1.0	-46.08	413.09	9.08	-37.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020311731	0	44	-1.0	-41.26	369.09	7.88	-33.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020311731	1	44	-1.0	-41.30	369.15	7.89	-33.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020311732	0	41	-1.0	-43.15	346.60	7.29	-35.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@H](C(F)(F)F)C1	REAL300020311732	1	41	-1.0	-43.16	346.66	7.32	-35.84
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC=C)(C(=O)OCC)CC1	REAL300020311733	0	54	-1.0	-42.04	438.06	9.86	-32.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC=C)(C(=O)OCC)CC1	REAL300020311733	1	54	-1.0	-42.07	438.11	9.88	-32.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020311734	0	45	-1.0	-48.56	375.06	4.13	-44.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020311734	1	45	-1.0	-48.57	375.11	4.14	-44.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020311735	0	42	-1.0	-52.00	353.63	3.48	-48.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020311735	1	42	-1.0	-51.95	353.58	3.45	-48.50
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020311736	0	49	-1.0	-50.95	402.94	6.23	-44.72
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](C(N)=O)C1	REAL300020311736	1	49	-1.0	-50.96	402.98	6.22	-44.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020311737	0	49	-1.0	-48.57	401.58	7.06	-41.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020311737	1	49	-1.0	-48.54	401.64	7.07	-41.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020311738	0	46	-1.0	-50.39	380.15	6.26	-44.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1	REAL300020311738	1	46	-1.0	-50.39	380.20	6.28	-44.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020311739	0	51	-1.0	-42.42	413.31	10.01	-32.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020311739	1	51	-1.0	-42.39	413.37	10.02	-32.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020311740	0	48	-1.0	-42.24	402.64	10.21	-32.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(CC)C=C2C1	REAL300020311740	1	48	-1.0	-42.25	402.58	10.18	-32.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020311741	0	52	-1.0	-44.13	421.49	9.59	-34.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020311741	1	52	-1.0	-44.13	421.55	9.60	-34.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020311742	0	49	-1.0	-51.15	396.62	8.75	-42.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=NC3=C2CCCC3)C1	REAL300020311742	1	49	-1.0	-51.19	396.68	8.78	-42.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020311743	0	44	-1.0	-49.68	355.24	3.83	-45.85
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020311743	1	44	-1.0	-49.72	355.30	3.84	-45.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CC(N)=O	REAL300020311744	0	41	-1.0	-48.76	345.14	3.23	-45.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CC(N)=O	REAL300020311744	1	41	-1.0	-48.74	345.07	3.21	-45.53
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)CC(N)=O	REAL300020311745	0	48	-1.0	-49.99	391.46	6.08	-43.91
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)CC(N)=O	REAL300020311745	1	48	-1.0	-49.92	391.50	6.07	-43.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020311746	0	51	-1.0	-42.90	410.67	9.74	-33.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020311746	1	51	-1.0	-42.90	410.73	9.76	-33.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020311747	0	48	-1.0	-45.09	387.37	8.92	-36.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(C)=CC(C)=C2C1	REAL300020311747	1	48	-1.0	-45.10	387.32	8.90	-36.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020311748	0	44	-1.0	-39.34	391.26	8.86	-30.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020311748	1	44	-1.0	-39.38	391.32	8.87	-30.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020311749	0	41	-1.0	-41.33	369.82	8.10	-33.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(C)=CS1	REAL300020311749	1	41	-1.0	-41.31	369.76	8.07	-33.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC=C)(C(=O)OCC)C1	REAL300020311750	0	54	-1.0	-47.02	439.04	9.86	-37.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC=C)(C(=O)OCC)C1	REAL300020311750	1	54	-1.0	-46.97	439.10	9.87	-37.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC=C)(C(=O)OCC)C1	REAL300020311751	0	51	-1.0	-48.52	416.10	9.00	-39.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC=C)(C(=O)OCC)C1	REAL300020311751	1	51	-1.0	-48.53	416.16	9.03	-39.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020311752	0	51	-1.0	-41.59	410.36	10.54	-31.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020311752	1	51	-1.0	-41.56	410.42	10.56	-31.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020311753	0	48	-1.0	-44.68	385.52	8.95	-35.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=CC(CC)=C2C1	REAL300020311753	1	48	-1.0	-44.67	385.47	8.92	-35.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020311754	0	49	-1.0	-40.82	377.71	6.93	-33.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020311754	1	49	-1.0	-40.79	377.77	6.95	-33.84
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020311755	0	46	-1.0	-43.55	356.23	6.15	-37.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2OCC[C@@H]2C1	REAL300020311755	1	46	-1.0	-43.56	356.29	6.17	-37.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020311756	0	49	-1.0	-41.97	419.86	9.54	-32.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020311756	1	49	-1.0	-41.99	419.80	9.52	-32.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020311757	0	46	-1.0	-44.24	398.02	8.81	-35.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC2=CC=NC=C2C=C1	REAL300020311757	1	46	-1.0	-44.25	397.94	8.79	-35.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020311758	0	52	-1.0	-40.59	420.23	7.13	-33.46
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020311758	1	52	-1.0	-40.57	420.28	7.15	-33.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020311759	0	49	-1.0	-43.22	392.38	6.51	-36.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1COC(C)(C)OC1	REAL300020311759	1	49	-1.0	-43.20	392.44	6.53	-36.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020311760	0	48	-1.0	-47.59	401.68	10.35	-37.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020311760	1	48	-1.0	-47.58	401.62	10.33	-37.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020311761	0	45	-1.0	-49.87	379.59	9.81	-40.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2CCC2)N=C1	REAL300020311761	1	45	-1.0	-49.82	379.53	9.80	-40.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020311762	0	45	-1.0	-40.10	368.66	8.54	-31.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020311762	1	45	-1.0	-40.07	368.72	8.56	-31.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1C2CCCC21	REAL300020311763	0	42	-1.0	-43.29	350.76	7.92	-35.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1C2CCCC21	REAL300020311763	1	42	-1.0	-43.27	350.71	7.89	-35.38
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1C2CCCC21	REAL300020311764	0	49	-1.0	-41.98	392.71	10.77	-31.21
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1C2CCCC21	REAL300020311764	1	49	-1.0	-41.99	392.74	10.76	-31.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020311765	0	48	-1.0	-41.85	389.74	8.88	-32.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020311765	1	48	-1.0	-41.85	389.80	8.89	-32.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020311766	0	45	-1.0	-43.76	373.85	8.48	-35.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1CC1=CC=CS1	REAL300020311766	1	45	-1.0	-43.77	373.91	8.50	-35.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020311767	0	48	-1.0	-40.61	409.48	9.21	-31.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020311767	1	48	-1.0	-40.65	409.53	9.22	-31.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020311768	0	45	-1.0	-46.24	371.67	8.76	-37.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1CC1=CC=CS1	REAL300020311768	1	45	-1.0	-46.24	371.73	8.78	-37.46
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C2	REAL300020311769	0	43	-1.0	-41.68	356.34	9.19	-32.49
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C2	REAL300020311769	1	43	-1.0	-41.68	356.39	9.18	-32.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020311770	0	48	-1.0	-41.28	389.97	7.03	-34.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020311770	1	48	-1.0	-41.28	390.03	7.04	-34.24
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020311771	0	45	-1.0	-44.30	360.47	6.18	-38.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020311771	1	45	-1.0	-44.34	360.52	6.20	-38.14
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020311772	0	52	-1.0	-42.44	418.41	9.00	-33.44
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(OC)C(C)(C)C1	REAL300020311772	1	52	-1.0	-42.44	418.42	8.99	-33.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020311773	0	53	0.0	-71.21	425.46	8.48	-62.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC([NH+](C)C)C1	REAL300020311773	1	53	0.0	-71.21	425.54	8.51	-62.70
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020311774	0	49	-1.0	-42.67	395.48	7.68	-34.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020311774	1	49	-1.0	-42.62	395.54	7.69	-34.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020311775	0	46	-1.0	-46.49	370.64	6.67	-39.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1	REAL300020311775	1	46	-1.0	-46.50	370.69	6.69	-39.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020311776	0	52	-1.0	-44.24	418.34	8.49	-35.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020311776	1	52	-1.0	-44.26	418.40	8.50	-35.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020311777	0	49	-1.0	-44.02	403.21	8.94	-35.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=C(C)C=C2C1	REAL300020311777	1	49	-1.0	-43.99	403.15	8.91	-35.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020311778	0	54	-1.0	-41.72	413.38	5.22	-36.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020311778	1	54	-1.0	-41.75	413.44	5.23	-36.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020311779	0	51	-1.0	-42.87	394.70	4.60	-38.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(N2CCOCC2)C1	REAL300020311779	1	51	-1.0	-42.87	394.75	4.62	-38.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020311780	0	49	-1.0	-45.42	399.86	6.35	-39.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020311780	1	49	-1.0	-45.40	399.91	6.36	-39.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020311781	0	46	-1.0	-44.46	384.73	6.79	-37.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(C)C=C2C1	REAL300020311781	1	46	-1.0	-44.46	384.67	6.77	-37.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020311782	0	49	-1.0	-39.93	419.03	10.57	-29.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020311782	1	49	-1.0	-39.93	419.09	10.59	-29.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020311783	0	46	-1.0	-41.07	397.52	9.79	-31.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)C(F)(F)C21CC1	REAL300020311783	1	46	-1.0	-41.09	397.58	9.81	-31.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020311784	0	49	-1.0	-40.90	403.96	7.84	-33.06
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020311784	1	49	-1.0	-40.91	404.01	7.85	-33.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020311785	0	46	-1.0	-43.35	385.97	7.15	-36.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1	REAL300020311785	1	46	-1.0	-43.36	386.02	7.17	-36.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020311786	0	42	-1.0	-47.19	379.81	10.27	-36.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020311786	1	42	-1.0	-47.18	379.75	10.25	-36.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020311787	0	39	-1.0	-48.76	358.37	9.49	-39.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CC2(F)F)C=C1	REAL300020311787	1	39	-1.0	-48.79	358.31	9.47	-39.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020311788	0	48	-1.0	-49.39	406.19	9.58	-39.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CC1=CC=CC(F)=C1F	REAL300020311788	1	48	-1.0	-49.36	406.25	9.61	-39.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020311789	0	49	-1.0	-42.45	407.59	10.04	-32.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020311789	1	49	-1.0	-42.44	407.65	10.06	-32.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020311790	0	46	-1.0	-44.60	391.03	9.57	-35.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C#N)C1	REAL300020311790	1	46	-1.0	-44.60	390.97	9.55	-35.05
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020311791	0	54	-1.0	-40.14	417.35	8.13	-32.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020311791	1	54	-1.0	-40.09	417.41	8.15	-31.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020311792	0	51	-1.0	-42.04	395.84	7.35	-34.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(C)(C)C)C1	REAL300020311792	1	51	-1.0	-42.08	395.90	7.37	-34.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020311793	0	47	-1.0	-45.76	395.57	6.53	-39.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020311793	1	47	-1.0	-45.77	395.63	6.54	-39.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020311794	0	44	-1.0	-46.23	369.60	6.00	-40.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C(=O)OCC2(C)C1	REAL300020311794	1	44	-1.0	-46.23	369.66	6.01	-40.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020311795	0	47	-1.0	-53.80	398.10	3.97	-49.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020311795	1	47	-1.0	-53.84	398.16	3.99	-49.85
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020311796	0	44	-1.0	-60.94	380.88	3.13	-57.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)C[C@H]1CS(C)(=O)=O	REAL300020311796	1	44	-1.0	-60.93	380.94	3.15	-57.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NCC1=C(C)C=CO1	REAL300020311797	0	41	-1.0	-42.41	357.28	8.35	-34.06
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NCC1=C(C)C=CO1	REAL300020311797	1	41	-1.0	-42.40	357.34	8.37	-34.03
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NCC1=C(C)C=CO1	REAL300020311798	0	38	-1.0	-43.85	340.72	7.73	-36.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NCC1=C(C)C=CO1	REAL300020311798	1	38	-1.0	-43.86	340.66	7.71	-36.15
C#CCCN1C(NCC2=C(C)C=CO2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020311799	0	45	-1.0	-43.67	390.53	10.45	-33.22
C#CCCN1C(NCC2=C(C)C=CO2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020311799	1	45	-1.0	-43.66	390.56	10.44	-33.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020311800	0	51	-1.0	-40.16	417.92	10.74	-29.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020311800	1	51	-1.0	-40.22	417.98	10.75	-29.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020311801	0	48	-1.0	-43.20	390.32	10.09	-33.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC)C=CC=C2C1	REAL300020311801	1	48	-1.0	-43.27	390.27	10.06	-33.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCCOCC1=CC=CC=C1	REAL300020311802	0	54	-1.0	-45.06	444.36	9.09	-35.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCCOCC1=CC=CC=C1	REAL300020311802	1	54	-1.0	-45.05	444.42	9.11	-35.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020311803	0	43	-1.0	-41.73	346.62	6.04	-35.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020311803	1	43	-1.0	-41.70	346.68	6.06	-35.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CC1CO2	REAL300020311804	0	40	-1.0	-44.30	326.89	5.33	-38.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CC1CO2	REAL300020311804	1	40	-1.0	-44.27	326.84	5.32	-38.95
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020311805	0	47	-1.0	-42.79	374.95	8.00	-34.79
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CC1CO2	REAL300020311805	1	47	-1.0	-42.72	374.98	7.99	-34.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020311806	0	41	-1.0	-42.12	345.35	7.31	-34.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020311806	1	41	-1.0	-42.13	345.41	7.33	-34.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020311807	0	38	-1.0	-41.12	321.61	6.72	-34.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020311807	1	38	-1.0	-41.13	321.55	6.69	-34.44
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020311808	0	45	-1.0	-42.43	371.34	9.39	-33.04
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H](C)[C@@H](F)C1	REAL300020311808	1	45	-1.0	-42.39	371.38	9.39	-33.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020311809	0	43	-1.0	-49.99	372.12	3.47	-46.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020311809	1	43	-1.0	-50.00	372.18	3.49	-46.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020311810	0	40	-1.0	-52.02	347.72	2.50	-49.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(C(N)=O)C1	REAL300020311810	1	40	-1.0	-52.05	347.66	2.48	-49.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020311811	0	50	-1.0	-42.41	387.09	7.00	-35.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020311811	1	50	-1.0	-42.42	387.15	7.02	-35.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020311812	0	47	-1.0	-43.75	364.68	6.48	-37.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(COC3)C1	REAL300020311812	1	47	-1.0	-43.76	364.73	6.50	-37.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]1(C)C#C	REAL300020311813	0	43	-1.0	-40.43	364.64	7.52	-32.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]1(C)C#C	REAL300020311813	1	43	-1.0	-40.46	364.70	7.53	-32.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]1(C)C#C	REAL300020311814	0	40	-1.0	-45.29	338.31	7.40	-37.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]1(C)C#C	REAL300020311814	1	40	-1.0	-45.30	338.26	7.37	-37.93
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@]1(C)C#C	REAL300020311815	0	47	-1.0	-42.97	387.90	10.00	-32.97
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@]1(C)C#C	REAL300020311815	1	47	-1.0	-42.99	387.92	10.00	-32.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020311816	0	47	-1.0	-43.60	385.36	8.76	-34.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020311816	1	47	-1.0	-43.62	385.42	8.77	-34.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020311817	0	44	-1.0	-48.43	373.30	8.32	-40.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=CC=C1F	REAL300020311817	1	44	-1.0	-48.45	373.25	8.29	-40.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020311818	0	42	-1.0	-44.77	372.28	9.03	-35.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020311818	1	42	-1.0	-44.80	372.22	9.02	-35.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020311819	0	39	-1.0	-46.76	350.14	8.51	-38.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CC2(F)F)N=C1	REAL300020311819	1	39	-1.0	-46.80	350.09	8.48	-38.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020311820	0	51	-1.0	-45.54	423.90	10.79	-34.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020311820	1	51	-1.0	-45.51	423.96	10.82	-34.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020311821	0	45	-2.0	-81.62	394.63	5.61	-76.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020311821	1	45	-2.0	-81.67	394.69	5.63	-76.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020311821	1	46	-1.0	-53.79	395.82	5.80	-47.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020311821	1	46	-1.0	-53.84	395.88	5.82	-48.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020311822	0	42	-2.0	-84.29	375.56	5.01	-79.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020311822	1	42	-2.0	-84.31	375.61	5.03	-79.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020311822	1	43	-1.0	-54.57	374.51	5.02	-49.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)N2)C1	REAL300020311822	1	43	-1.0	-54.59	374.57	5.04	-49.55
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020311823	0	46	-1.0	-49.95	397.45	4.55	-45.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020311823	1	46	-1.0	-49.93	397.51	4.57	-45.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020311824	0	43	-1.0	-51.87	383.24	3.68	-48.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCS(C)(=O)=O	REAL300020311824	1	43	-1.0	-51.88	383.31	3.70	-48.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020311825	0	40	-1.0	-42.59	346.48	7.26	-35.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020311825	1	40	-1.0	-42.61	346.53	7.28	-35.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC(F)F	REAL300020311826	0	37	-1.0	-43.18	332.33	6.41	-36.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC(F)F	REAL300020311826	1	37	-1.0	-43.17	332.26	6.39	-36.78
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCC(F)F	REAL300020311827	0	44	-1.0	-42.80	382.14	9.16	-33.64
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCC(F)F	REAL300020311827	1	44	-1.0	-42.80	382.18	9.15	-33.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020311828	0	44	-1.0	-41.88	364.91	8.27	-33.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020311828	1	44	-1.0	-41.86	364.97	8.29	-33.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)C1	REAL300020311829	0	41	-1.0	-42.53	352.77	7.47	-35.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)C1	REAL300020311829	1	41	-1.0	-42.56	352.83	7.49	-35.07
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC(F)C1	REAL300020311830	0	48	-1.0	-41.53	402.40	10.23	-31.30
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC(F)C1	REAL300020311830	1	48	-1.0	-41.52	402.45	10.22	-31.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020311831	0	51	-1.0	-58.04	438.05	7.80	-50.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020311831	1	51	-1.0	-58.01	437.99	7.79	-50.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020311832	0	48	-1.0	-60.56	411.23	7.13	-53.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC(=O)NC(C)C)N=C1	REAL300020311832	1	48	-1.0	-60.57	411.17	7.11	-53.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020311833	0	45	-1.0	-50.79	377.14	4.57	-46.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020311833	1	45	-1.0	-50.80	377.20	4.59	-46.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020311834	0	42	-1.0	-53.97	359.25	3.77	-50.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CS(=O)(=O)C[C@H]21	REAL300020311834	1	42	-1.0	-53.95	359.29	3.80	-50.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC#C)CCOC	REAL300020311835	0	43	-1.0	-42.78	372.61	6.09	-36.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC#C)CCOC	REAL300020311835	1	43	-1.0	-42.83	372.67	6.10	-36.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC#C)CCOC	REAL300020311836	0	40	-1.0	-44.40	351.13	5.32	-39.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC#C)CCOC	REAL300020311836	1	40	-1.0	-44.39	351.10	5.30	-39.09
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC#C)CCOC	REAL300020311837	0	47	-1.0	-44.13	400.81	8.01	-36.12
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC#C)CCOC	REAL300020311837	1	47	-1.0	-44.06	400.82	7.99	-36.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020311838	0	51	-1.0	-42.75	425.61	7.51	-35.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020311838	1	51	-1.0	-42.75	425.67	7.52	-35.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020311839	0	48	-1.0	-44.54	407.23	7.05	-37.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)C(OC)C1	REAL300020311839	1	48	-1.0	-44.52	407.29	7.07	-37.45
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC1	REAL300020311840	0	48	-1.0	-41.83	393.99	6.88	-34.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC1	REAL300020311840	1	48	-1.0	-41.78	394.05	6.90	-34.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCOC)CC1CC1	REAL300020311841	0	45	-1.0	-43.00	357.88	6.09	-36.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCOC)CC1CC1	REAL300020311841	1	45	-1.0	-42.98	357.85	6.08	-36.90
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CCOC)CC1CC1	REAL300020311842	0	52	-1.0	-42.93	422.15	8.69	-34.24
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CCOC)CC1CC1	REAL300020311842	1	52	-1.0	-42.88	422.19	8.69	-34.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020311843	0	45	-1.0	-43.86	396.28	7.89	-35.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC(F)F)=C1	REAL300020311843	1	45	-1.0	-43.92	396.33	7.91	-36.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020311844	0	48	-1.0	-41.10	414.75	10.85	-30.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020311844	1	48	-1.0	-41.06	414.81	10.86	-30.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020311845	0	45	-1.0	-43.85	395.82	9.98	-33.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=CC=C1Cl)C1CC1	REAL300020311845	1	45	-1.0	-43.83	395.77	9.96	-33.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020311846	0	51	-1.0	-40.41	416.03	10.48	-29.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020311846	1	51	-1.0	-40.40	416.09	10.49	-29.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020311847	0	48	-1.0	-43.56	399.91	9.81	-33.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=C(C)C=C1)C1CC1	REAL300020311847	1	48	-1.0	-43.55	399.85	9.79	-33.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020311848	0	48	-1.0	-41.53	400.39	7.84	-33.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020311848	1	48	-1.0	-41.54	400.45	7.85	-33.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020311849	0	45	-1.0	-43.15	382.73	6.78	-36.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=CC=NN1C)C1CC1	REAL300020311849	1	45	-1.0	-43.14	382.67	6.76	-36.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020311850	0	41	-1.0	-45.19	349.26	6.55	-38.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020311850	1	41	-1.0	-45.24	349.31	6.57	-38.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020311851	0	38	-1.0	-42.72	328.86	6.61	-36.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020311851	1	38	-1.0	-42.73	328.80	6.59	-36.14
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020311852	0	45	-1.0	-45.63	371.84	8.99	-36.64
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2=C(C=NO2)C1	REAL300020311852	1	45	-1.0	-45.61	371.88	8.99	-36.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020311853	0	54	-1.0	-39.60	408.80	10.12	-29.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020311853	1	54	-1.0	-39.63	408.86	10.13	-29.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020311854	0	51	-1.0	-42.81	385.85	9.51	-33.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300020311854	1	51	-1.0	-42.81	385.90	9.52	-33.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020311855	0	51	-1.0	-40.64	411.18	9.45	-31.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020311855	1	51	-1.0	-40.68	411.23	9.47	-31.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020311856	0	48	-1.0	-44.54	386.52	9.10	-35.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(CC(C)(C)C1)OC=C2	REAL300020311856	1	48	-1.0	-44.59	386.46	9.09	-35.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020311857	0	49	-1.0	-46.75	414.66	8.93	-37.82
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020311857	1	49	-1.0	-46.71	414.72	8.95	-37.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020311858	0	46	-1.0	-51.40	393.13	8.18	-43.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2C=CC(C(=O)OC)=C2C1	REAL300020311858	1	46	-1.0	-51.42	393.07	8.15	-43.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020311859	0	48	-1.0	-41.44	408.64	10.43	-31.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020311859	1	48	-1.0	-41.44	408.70	10.44	-31.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020311860	0	45	-1.0	-45.19	380.81	8.66	-36.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(Cl)C=CC=C2C(C)C1	REAL300020311860	1	45	-1.0	-45.18	380.75	8.63	-36.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020311861	0	49	-1.0	-46.93	397.07	8.95	-37.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(CC1)C1=CC=CC=C1N2	REAL300020311861	1	49	-1.0	-46.97	397.01	8.93	-38.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020311862	0	51	-1.0	-47.22	432.05	8.03	-39.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COCC(=O)OC)C1	REAL300020311862	1	51	-1.0	-47.23	432.10	8.05	-39.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020311863	0	42	-1.0	-45.25	373.16	6.39	-38.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020311863	1	42	-1.0	-45.22	373.22	6.41	-38.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020311864	0	39	-1.0	-41.65	352.01	6.38	-35.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN2N=CC(Cl)=C2C1	REAL300020311864	1	39	-1.0	-41.63	351.95	6.36	-35.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020311865	0	50	-1.0	-42.08	410.64	8.80	-33.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020311865	1	50	-1.0	-42.12	410.69	8.81	-33.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020311866	0	47	-1.0	-44.53	388.57	7.97	-36.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)OC)C1	REAL300020311866	1	47	-1.0	-44.52	388.62	8.00	-36.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020311867	0	54	-1.0	-44.09	444.55	10.39	-33.70
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020311867	1	54	-1.0	-44.12	444.60	10.40	-33.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020311868	0	51	-1.0	-47.08	423.84	9.68	-37.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC([C@@H]2C[C@H]2C(=O)OC)CC1	REAL300020311868	1	51	-1.0	-47.06	423.89	9.70	-37.36
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020311869	0	51	-1.0	-42.67	401.56	9.47	-33.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020311869	1	51	-1.0	-42.69	401.61	9.49	-33.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020311870	0	48	-1.0	-43.59	385.47	8.87	-34.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCC(F)(F)CC2	REAL300020311870	1	48	-1.0	-43.62	385.54	8.89	-34.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020311871	0	49	-1.0	-48.20	396.73	10.97	-37.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020311871	1	49	-1.0	-48.20	396.79	10.98	-37.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020311872	0	46	-1.0	-52.45	374.98	10.38	-42.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C2=CC=C(OC)C=C21	REAL300020311872	1	46	-1.0	-52.46	374.93	10.36	-42.10
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020311873	0	54	-1.0	-39.76	405.43	10.02	-29.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020311873	1	54	-1.0	-39.73	405.49	10.03	-29.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCCC2C1	REAL300020311874	0	51	-1.0	-41.89	392.81	9.32	-32.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCCC2C1	REAL300020311874	1	51	-1.0	-41.84	392.87	9.35	-32.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020311875	0	44	-1.0	-41.38	365.83	8.21	-33.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020311875	1	44	-1.0	-41.35	365.89	8.23	-33.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020311876	0	41	-1.0	-42.44	356.92	7.47	-34.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020311876	1	41	-1.0	-42.41	356.98	7.49	-34.92
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020311877	0	48	-1.0	-42.31	406.83	10.26	-32.05
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CC(F)(F)C1	REAL300020311877	1	48	-1.0	-42.29	406.86	10.25	-32.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020311878	0	55	-1.0	-42.59	430.94	8.95	-33.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020311878	1	55	-1.0	-42.59	431.00	8.97	-33.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020311879	0	52	-1.0	-43.58	409.44	8.17	-35.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCCCC2)C(=O)C1	REAL300020311879	1	52	-1.0	-43.64	409.50	8.18	-35.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020311880	0	46	-1.0	-44.24	377.20	5.02	-39.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020311880	1	46	-1.0	-44.27	377.26	5.04	-39.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020311881	0	43	-1.0	-45.51	355.79	4.26	-41.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCC(=O)NC2C1	REAL300020311881	1	43	-1.0	-45.47	355.73	4.24	-41.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020311882	0	42	-1.0	-45.39	370.46	7.63	-37.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020311882	1	42	-1.0	-45.38	370.52	7.64	-37.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020311883	0	39	-1.0	-46.62	352.66	6.97	-39.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C#N)C1	REAL300020311883	1	39	-1.0	-46.64	352.73	6.99	-39.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020311884	0	49	-1.0	-46.73	391.50	5.60	-41.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020311884	1	49	-1.0	-46.70	391.55	5.61	-41.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020311885	0	46	-1.0	-54.96	369.01	5.21	-49.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300020311885	1	46	-1.0	-54.89	369.07	5.22	-49.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020311886	0	47	-1.0	-46.71	408.35	8.17	-38.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020311886	1	47	-1.0	-46.69	408.29	8.15	-38.54
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020311887	0	49	-1.0	-42.90	397.40	6.42	-36.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020311887	1	49	-1.0	-42.92	397.46	6.43	-36.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020311888	0	46	-1.0	-44.07	380.81	5.81	-38.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C(=O)OC)[C@@H](C)C1	REAL300020311888	1	46	-1.0	-44.08	380.87	5.84	-38.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020311889	0	43	-1.0	-44.19	356.69	6.42	-37.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020311889	1	43	-1.0	-44.19	356.75	6.44	-37.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020311890	0	40	-1.0	-45.70	335.20	5.64	-40.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2OC(=O)OC2C1	REAL300020311890	1	40	-1.0	-45.74	335.26	5.66	-40.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020311891	0	48	-1.0	-44.03	398.35	10.09	-33.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020311891	1	48	-1.0	-44.07	398.41	10.10	-33.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020311892	0	45	-1.0	-41.66	375.83	9.46	-32.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020311892	1	45	-1.0	-41.64	375.89	9.48	-32.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC)CC1	REAL300020311893	0	50	-1.0	-39.50	404.03	9.46	-30.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC)CC1	REAL300020311893	1	50	-1.0	-39.47	404.09	9.48	-29.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC)CC1	REAL300020311894	0	47	-1.0	-42.08	382.52	8.68	-33.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC)CC1	REAL300020311894	1	47	-1.0	-42.06	382.58	8.70	-33.36
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCC)CC1	REAL300020311895	0	54	-1.0	-40.65	430.83	11.39	-29.26
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCC)CC1	REAL300020311895	1	54	-1.0	-40.65	430.86	11.38	-29.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020311896	0	47	-1.0	-42.69	406.33	8.31	-34.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020311896	1	47	-1.0	-42.70	406.39	8.32	-34.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020311897	0	44	-1.0	-45.21	384.94	7.52	-37.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)CC(F)(F)C1	REAL300020311897	1	44	-1.0	-45.25	385.00	7.55	-37.70
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020311898	0	38	-1.0	-42.06	328.99	5.96	-36.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020311898	1	38	-1.0	-42.08	329.05	5.97	-36.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CON=C2C1	REAL300020311899	0	35	-1.0	-44.18	301.99	5.28	-38.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CON=C2C1	REAL300020311899	1	35	-1.0	-44.12	301.94	5.25	-38.87
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020311900	0	42	-1.0	-43.70	359.78	8.06	-35.64
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CON=C2C1	REAL300020311900	1	42	-1.0	-43.66	359.84	8.06	-35.60
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020311901	0	48	-1.0	-43.90	399.30	4.87	-39.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020311901	1	48	-1.0	-43.89	399.36	4.89	-39.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020311902	0	45	-1.0	-45.97	377.86	4.11	-41.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(N)=O)C1	REAL300020311902	1	45	-1.0	-45.88	377.79	4.09	-41.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020311903	0	45	-1.0	-40.42	360.81	8.47	-31.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020311903	1	45	-1.0	-40.41	360.86	8.48	-31.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020311904	0	42	-1.0	-43.56	343.50	7.76	-35.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020311904	1	42	-1.0	-43.51	343.44	7.73	-35.78
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020311905	0	49	-1.0	-41.67	388.18	10.29	-31.38
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]2CC[C@@H]21	REAL300020311905	1	49	-1.0	-41.64	388.22	10.27	-31.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020311906	0	45	-1.0	-41.90	351.67	7.65	-34.25
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020311906	1	45	-1.0	-41.91	351.73	7.67	-34.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C2CCC1(C)CC2	REAL300020311907	0	42	-1.0	-44.27	336.64	7.13	-37.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C2CCC1(C)CC2	REAL300020311907	1	42	-1.0	-44.24	336.59	7.10	-37.14
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020311908	0	49	-1.0	-42.59	383.74	9.77	-32.82
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C2CCC1(C)CC2	REAL300020311908	1	49	-1.0	-42.53	383.78	9.75	-32.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020311909	0	48	-1.0	-42.35	404.55	7.56	-34.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020311909	1	48	-1.0	-42.36	404.49	7.55	-34.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020311910	0	45	-1.0	-43.58	382.40	6.99	-36.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=NC=N2)CC1	REAL300020311910	1	45	-1.0	-43.57	382.34	6.96	-36.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020311911	0	44	-1.0	-40.16	368.94	8.11	-32.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020311911	1	44	-1.0	-40.18	369.00	8.13	-32.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020311912	0	41	-1.0	-42.58	347.48	7.35	-35.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020311912	1	41	-1.0	-42.58	347.42	7.33	-35.25
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020311913	0	48	-1.0	-41.19	397.25	10.08	-31.11
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](F)C1	REAL300020311913	1	48	-1.0	-41.27	397.31	10.07	-31.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020311914	0	50	-1.0	-45.99	397.18	1.75	-44.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(N)=O)CC(OC)(OC)C1	REAL300020311914	1	50	-1.0	-46.04	397.25	1.77	-44.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020311915	0	49	-1.0	-44.51	415.35	4.14	-40.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020311915	1	49	-1.0	-44.49	415.40	4.15	-40.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020311916	0	46	-1.0	-45.59	393.85	3.34	-42.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NN=C(C)O2)CC1	REAL300020311916	1	46	-1.0	-45.58	393.90	3.37	-42.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020311917	0	49	-1.0	-47.52	402.06	6.03	-41.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020311917	1	49	-1.0	-47.52	402.11	6.04	-41.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020311918	0	46	-1.0	-49.42	376.81	5.34	-44.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)CC1	REAL300020311918	1	46	-1.0	-49.43	376.87	5.36	-44.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020311919	0	47	-1.0	-42.38	391.22	9.05	-33.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020311919	1	47	-1.0	-42.40	391.28	9.07	-33.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020311920	0	44	-1.0	-44.11	373.32	8.16	-35.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)CC1	REAL300020311920	1	44	-1.0	-44.13	373.37	8.19	-35.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020311921	0	52	-1.0	-40.82	432.36	8.42	-32.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020311921	1	52	-1.0	-40.82	432.42	8.43	-32.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020311922	0	49	-1.0	-44.01	404.53	7.76	-36.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020311922	1	49	-1.0	-44.04	404.58	7.79	-36.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)O[C@@H](C2=CC=C(F)C=C2)C1	REAL300020311923	0	49	-1.0	-43.29	405.48	8.36	-34.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)O[C@@H](C2=CC=C(F)C=C2)C1	REAL300020311923	1	49	-1.0	-43.33	405.54	8.39	-34.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C2C=CC(Cl)=CN12	REAL300020311924	0	44	-1.0	-43.32	401.03	9.18	-34.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C2C=CC(Cl)=CN12	REAL300020311924	1	44	-1.0	-43.35	400.98	9.16	-34.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020311925	0	45	-1.0	-41.97	358.43	4.44	-37.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020311925	1	45	-1.0	-41.96	358.48	4.45	-37.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020311926	0	42	-1.0	-44.88	330.79	3.82	-41.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020311926	1	42	-1.0	-44.85	330.74	3.82	-41.03
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020311927	0	49	-1.0	-43.54	385.55	6.35	-37.19
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@@H](O)C1	REAL300020311927	1	49	-1.0	-43.54	385.57	6.34	-37.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020311928	0	52	-1.0	-40.72	395.45	6.07	-34.65
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020311928	1	52	-1.0	-40.73	395.51	6.08	-34.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020311929	0	49	-1.0	-42.63	390.05	6.02	-36.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(O)CC2(CCCC2)C1	REAL300020311929	1	49	-1.0	-42.66	390.10	6.04	-36.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020311930	0	47	-1.0	-42.10	403.11	7.70	-34.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300020311930	1	47	-1.0	-42.15	403.16	7.72	-34.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020311931	0	51	-1.0	-42.22	419.86	11.67	-30.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020311931	1	51	-1.0	-42.20	419.92	11.69	-30.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020311932	0	48	-1.0	-43.97	402.37	10.87	-33.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300020311932	1	48	-1.0	-44.04	402.32	10.84	-33.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020311933	0	52	-1.0	-41.39	402.45	11.19	-30.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020311933	1	52	-1.0	-41.34	402.51	11.21	-30.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020311934	0	49	-1.0	-43.39	399.43	10.29	-33.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC3=C2C(CCC3)C1	REAL300020311934	1	49	-1.0	-43.41	399.37	10.26	-33.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020311935	0	53	-1.0	-42.37	421.30	6.62	-35.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020311935	1	53	-1.0	-42.39	421.36	6.63	-35.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020311936	0	50	-1.0	-43.98	402.17	5.91	-38.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC2(CC1)OCCO2	REAL300020311936	1	50	-1.0	-43.95	402.22	5.94	-38.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C(C)C1CCC1	REAL300020311937	0	50	-1.0	-40.53	386.88	9.27	-31.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C(C)C1CCC1	REAL300020311937	1	50	-1.0	-40.55	386.94	9.29	-31.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C(C)C1CCC1	REAL300020311938	0	47	-1.0	-43.02	376.95	6.99	-36.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C(C)C1CCC1	REAL300020311938	1	47	-1.0	-43.01	376.89	6.96	-36.05
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C(C)C1CCC1	REAL300020311939	0	54	-1.0	-41.55	418.79	11.35	-30.20
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C(C)C1CCC1	REAL300020311939	1	54	-1.0	-41.52	418.84	11.35	-30.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020311940	0	52	-1.0	-40.82	432.36	8.42	-32.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020311940	1	52	-1.0	-40.82	432.42	8.43	-32.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020311941	0	49	-1.0	-44.01	404.53	7.76	-36.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CN=C2N(C)C)C1	REAL300020311941	1	49	-1.0	-44.04	404.58	7.79	-36.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020311942	0	39	-1.0	-38.72	360.02	8.37	-30.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020311942	1	39	-1.0	-38.74	360.07	8.39	-30.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020311943	0	36	-1.0	-40.23	338.45	7.59	-32.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(Cl)=C(Cl)C1	REAL300020311943	1	36	-1.0	-40.23	338.50	7.61	-32.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020311944	0	47	-1.0	-40.48	390.53	9.11	-31.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020311944	1	47	-1.0	-40.51	390.58	9.12	-31.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020311945	0	44	-1.0	-42.84	377.39	9.38	-33.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1=CC=C(F)C=C1	REAL300020311945	1	44	-1.0	-42.82	377.33	9.36	-33.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020311946	0	49	-1.0	-45.24	411.15	6.73	-38.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020311946	1	49	-1.0	-45.19	411.20	6.75	-38.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020311947	0	46	-1.0	-49.07	378.91	5.87	-43.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC=C2F)C1	REAL300020311947	1	46	-1.0	-49.04	378.97	5.90	-43.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC12CC2	REAL300020311948	0	42	-1.0	-40.96	351.63	7.15	-33.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC12CC2	REAL300020311948	1	42	-1.0	-40.99	351.69	7.16	-33.83
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC12CC2	REAL300020311949	0	46	-1.0	-41.98	379.39	9.11	-32.87
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC12CC2	REAL300020311949	1	46	-1.0	-41.91	379.44	9.10	-32.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020311950	0	54	-1.0	-42.19	429.34	11.09	-31.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(C)C=C2)CC1	REAL300020311950	1	54	-1.0	-42.19	429.40	11.12	-31.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020311951	0	46	-1.0	-41.83	380.59	8.47	-33.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020311951	1	46	-1.0	-41.82	380.65	8.48	-33.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCSC2)C1	REAL300020311952	0	43	-1.0	-45.20	352.51	7.90	-37.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCSC2)C1	REAL300020311952	1	43	-1.0	-45.15	352.57	7.92	-37.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020311953	0	46	-1.0	-46.85	370.69	4.66	-42.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020311953	1	46	-1.0	-46.85	370.75	4.67	-42.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020311954	0	43	-1.0	-48.59	348.59	4.13	-44.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC(=O)N2)C1	REAL300020311954	1	43	-1.0	-48.64	348.65	4.16	-44.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1C	REAL300020311955	0	53	-1.0	-39.59	437.26	11.03	-28.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1C	REAL300020311955	1	53	-1.0	-39.65	437.31	11.04	-28.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1C	REAL300020311956	0	50	-1.0	-41.11	415.76	10.28	-30.83
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1C	REAL300020311956	1	50	-1.0	-41.11	415.71	10.26	-30.85
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020311957	0	47	-1.0	-40.11	393.34	8.63	-31.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020311957	1	47	-1.0	-40.12	393.40	8.64	-31.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020311958	0	44	-1.0	-41.69	371.24	8.05	-33.64
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C(F)(F)[C@@H](C)C1	REAL300020311958	1	44	-1.0	-41.69	371.30	8.07	-33.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020311959	0	41	-1.0	-43.27	339.97	4.39	-38.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020311959	1	41	-1.0	-43.26	340.03	4.40	-38.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020311960	0	38	-1.0	-46.93	323.24	3.83	-43.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020311960	1	38	-1.0	-46.89	323.18	3.81	-43.08
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020311961	0	45	-1.0	-44.58	373.12	6.54	-38.04
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCO[C@H]2C1	REAL300020311961	1	45	-1.0	-44.68	373.17	6.54	-38.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020311962	0	42	-1.0	-43.37	370.49	5.06	-38.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020311962	1	42	-1.0	-43.37	370.54	5.07	-38.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN=NN1C	REAL300020311963	0	39	-1.0	-45.69	342.01	4.12	-41.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN=NN1C	REAL300020311963	1	39	-1.0	-45.63	341.95	4.09	-41.54
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1=NN=NN1C	REAL300020311964	0	46	-1.0	-48.41	380.47	6.89	-41.52
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1=NN=NN1C	REAL300020311964	1	46	-1.0	-48.47	380.50	6.88	-41.59
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020311965	0	45	-1.0	-40.37	374.98	7.51	-32.86
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020311965	1	45	-1.0	-40.40	375.03	7.53	-32.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1CC1	REAL300020311966	0	42	-1.0	-41.89	360.83	6.56	-35.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1CC1	REAL300020311966	1	42	-1.0	-41.89	360.89	6.58	-35.31
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CCOC1CC1	REAL300020311967	0	49	-1.0	-42.30	413.49	8.96	-33.34
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CCOC1CC1	REAL300020311967	1	49	-1.0	-42.23	413.53	8.95	-33.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020311968	0	54	-1.0	-39.64	427.13	8.61	-31.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020311968	1	54	-1.0	-39.67	427.19	8.62	-31.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020311969	0	51	-1.0	-42.46	407.76	7.89	-34.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC(C)(C)C)CC1	REAL300020311969	1	51	-1.0	-42.45	407.82	7.92	-34.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020311970	0	48	-1.0	-50.08	402.65	4.71	-45.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020311970	1	48	-1.0	-50.11	402.71	4.73	-45.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020311971	0	45	-1.0	-51.55	378.43	3.72	-47.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](CC(=O)OC)[C@H](O)C1	REAL300020311971	1	45	-1.0	-51.57	378.49	3.75	-47.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020311972	0	49	-1.0	-45.96	408.75	7.16	-38.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020311972	1	49	-1.0	-45.99	408.80	7.17	-38.82
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020311973	0	46	-1.0	-46.35	383.59	6.17	-40.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=CC(F)=C2)C1	REAL300020311973	1	46	-1.0	-46.37	383.65	6.19	-40.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(Cl)C=C2[C@@H](C)C1	REAL300020311974	0	48	-1.0	-43.17	374.72	7.89	-35.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(Cl)C=C2[C@@H](C)C1	REAL300020311974	1	48	-1.0	-43.21	374.78	7.91	-35.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC=C(F)C=C1F	REAL300020311975	0	47	-1.0	-43.95	402.74	9.49	-34.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC=C(F)C=C1F	REAL300020311975	1	47	-1.0	-43.93	402.80	9.51	-34.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020311976	0	52	-1.0	-43.06	423.02	7.52	-35.54
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020311976	1	52	-1.0	-43.05	423.07	7.54	-35.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020311977	0	49	-1.0	-46.52	393.09	6.89	-39.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C2=CC=C(C)C=C2)C1	REAL300020311977	1	49	-1.0	-46.53	393.13	6.91	-39.62
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020311978	0	45	-1.0	-42.27	378.02	8.61	-33.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020311978	1	45	-1.0	-42.29	378.07	8.62	-33.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020311979	0	42	-1.0	-43.83	356.81	8.10	-35.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=CC(OC)=C1	REAL300020311979	1	42	-1.0	-43.81	356.75	8.08	-35.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020311980	0	43	-1.0	-40.55	391.15	8.05	-32.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020311980	1	43	-1.0	-40.56	391.21	8.07	-32.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020311981	0	40	-1.0	-45.13	363.20	7.10	-38.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(Cl)=CC=N1	REAL300020311981	1	40	-1.0	-45.12	363.14	7.08	-38.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020311982	0	54	-1.0	-41.36	427.29	8.43	-32.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020311982	1	54	-1.0	-41.33	427.35	8.44	-32.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020311983	0	51	-1.0	-42.95	408.39	7.75	-35.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OC(C)(C)C)C1	REAL300020311983	1	51	-1.0	-42.90	408.45	7.78	-35.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020311984	0	55	-1.0	-41.31	407.80	11.49	-29.82
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020311984	1	55	-1.0	-41.32	407.86	11.50	-29.82
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020311985	0	52	-1.0	-45.48	385.70	10.95	-34.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC23CCC(CC12)C3(C)C	REAL300020311985	1	52	-1.0	-45.50	385.76	10.98	-34.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020311986	0	52	-1.0	-45.46	411.92	10.30	-35.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020311986	1	52	-1.0	-45.53	411.85	10.28	-35.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2NC(=O)N(C)C2=O)CC1	REAL300020311987	0	50	-1.0	-48.61	413.23	5.22	-43.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2NC(=O)N(C)C2=O)CC1	REAL300020311987	1	50	-1.0	-48.67	413.29	5.24	-43.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN=C(N2C=CC=N2)S1	REAL300020311988	0	44	-1.0	-45.29	404.26	7.91	-37.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN=C(N2C=CC=N2)S1	REAL300020311988	1	44	-1.0	-45.30	404.20	7.88	-37.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C1	REAL300020311989	0	42	-1.0	-44.56	354.89	7.66	-36.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C1	REAL300020311989	1	42	-1.0	-44.60	354.95	7.68	-36.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C1	REAL300020311990	0	39	-1.0	-46.35	336.98	7.08	-39.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C1	REAL300020311990	1	39	-1.0	-46.33	336.94	7.05	-39.28
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC#N)C1	REAL300020311991	0	46	-1.0	-45.67	386.83	9.65	-36.02
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC#N)C1	REAL300020311991	1	46	-1.0	-45.70	386.93	9.63	-36.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020311992	0	48	-1.0	-43.00	401.90	9.72	-33.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020311992	1	48	-1.0	-42.98	401.96	9.73	-33.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020311993	0	45	-1.0	-46.15	380.23	9.11	-37.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2CC2(F)F)CC1	REAL300020311993	1	45	-1.0	-46.18	380.29	9.14	-37.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020311994	0	54	-1.0	-42.21	444.61	8.70	-33.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020311994	1	54	-1.0	-42.21	444.67	8.71	-33.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020311995	0	51	-1.0	-44.11	423.44	7.93	-36.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)CCC1=CC=C(O)C=C1	REAL300020311995	1	51	-1.0	-44.13	423.50	7.95	-36.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020311996	0	46	-1.0	-45.81	388.90	2.44	-43.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(C(F)(F)C(N)=O)CC1	REAL300020311996	1	46	-1.0	-45.81	388.95	2.47	-43.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CCC	REAL300020311997	0	49	-1.0	-40.45	392.23	9.41	-31.04
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CCC	REAL300020311997	1	49	-1.0	-40.49	392.29	9.42	-31.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CCC	REAL300020311998	0	46	-1.0	-41.37	379.31	8.66	-32.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CCC	REAL300020311998	1	46	-1.0	-41.39	379.25	8.64	-32.75
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC(C)CCC	REAL300020311999	0	53	-1.0	-41.46	424.12	11.45	-30.01
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC(C)CCC	REAL300020311999	1	53	-1.0	-41.44	424.16	11.45	-29.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020312000	0	48	-1.0	-44.03	398.35	10.09	-33.94
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020312000	1	48	-1.0	-44.07	398.41	10.10	-33.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020312001	0	45	-1.0	-41.66	375.83	9.46	-32.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](F)[C@@H](C2=CC=CC=C2)C1	REAL300020312001	1	45	-1.0	-41.64	375.89	9.48	-32.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020312002	0	45	-1.0	-51.30	403.42	10.71	-40.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300020312002	1	45	-1.0	-51.28	403.37	10.69	-40.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020312003	0	46	-1.0	-49.42	398.33	6.88	-42.54
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020312003	1	46	-1.0	-49.41	398.27	6.86	-42.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020312004	0	43	-1.0	-52.02	376.85	6.10	-45.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C2CCNC2=O)C=C1	REAL300020312004	1	43	-1.0	-52.03	376.79	6.08	-45.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(OCC#C)C1	REAL300020312005	0	47	-1.0	-138.41	415.30	8.20	-130.21
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(OCC#C)C1	REAL300020312005	1	47	-1.0	-138.43	415.36	8.22	-130.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(OCC#C)C1	REAL300020312006	0	44	-1.0	-46.83	378.35	7.26	-39.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(OCC#C)C1	REAL300020312006	1	44	-1.0	-46.82	378.41	7.28	-39.54
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020312007	0	45	-1.0	-40.63	361.09	8.04	-32.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020312007	1	45	-1.0	-40.65	361.15	8.05	-32.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCSCC1	REAL300020312008	0	42	-1.0	-42.08	350.48	7.18	-34.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCSCC1	REAL300020312008	1	42	-1.0	-42.15	350.53	7.20	-34.95
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CCSCC1	REAL300020312009	0	49	-1.0	-41.67	399.32	10.38	-31.29
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CCSCC1	REAL300020312009	1	49	-1.0	-41.65	399.35	10.35	-31.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020312010	0	46	-1.0	-49.91	398.60	5.90	-44.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020312010	1	46	-1.0	-49.94	398.54	5.89	-44.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020312011	0	43	-1.0	-51.95	371.71	5.24	-46.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(C2CCNC2=O)N=C1	REAL300020312011	1	43	-1.0	-51.95	371.65	5.21	-46.74
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020312012	0	53	-1.0	-40.55	430.77	11.41	-29.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020312012	1	53	-1.0	-40.64	430.82	11.43	-29.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020312013	0	50	-1.0	-42.54	416.58	10.64	-31.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC(C)CC1=CC=CC=C1	REAL300020312013	1	50	-1.0	-42.55	416.64	10.67	-31.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020312014	0	44	-1.0	-42.06	379.44	9.17	-32.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020312014	1	44	-1.0	-42.10	379.50	9.19	-32.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020312015	0	41	-1.0	-43.23	364.51	8.25	-34.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(F)=C1F	REAL300020312015	1	41	-1.0	-43.24	364.45	8.23	-35.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020312016	0	48	-1.0	-45.41	410.28	9.60	-35.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CN(C2=CC=CC=C2)N=C1	REAL300020312016	1	48	-1.0	-45.39	410.22	9.58	-35.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020312017	0	50	-1.0	-41.90	403.18	10.06	-31.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020312017	1	50	-1.0	-41.87	403.23	10.08	-31.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020312018	0	47	-1.0	-43.38	380.83	9.23	-34.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CCC(C(F)F)CC1	REAL300020312018	1	47	-1.0	-43.39	380.88	9.25	-34.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020312019	0	47	-1.0	-46.74	392.43	7.78	-38.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020312019	1	47	-1.0	-46.77	392.49	7.79	-38.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020312020	0	44	-1.0	-49.42	370.12	6.95	-42.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CF)(C(=O)OC)C1	REAL300020312020	1	44	-1.0	-49.39	370.18	6.98	-42.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=C(Cl)C=C1	REAL300020312021	0	48	-1.0	-40.67	415.61	10.16	-30.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=C(Cl)C=C1	REAL300020312021	1	48	-1.0	-40.65	415.66	10.18	-30.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=C(Cl)C=C1	REAL300020312022	0	45	-1.0	-43.50	394.21	9.53	-33.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=C(Cl)C=C1	REAL300020312022	1	45	-1.0	-43.49	394.16	9.51	-33.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC#C)C(=O)C1	REAL300020312023	0	44	-1.0	-127.00	397.00	7.44	-119.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC#C)C(=O)C1	REAL300020312023	1	44	-1.0	-127.01	397.06	7.45	-119.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC#C)C(=O)C1	REAL300020312024	0	41	-1.0	-147.80	375.57	6.67	-141.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC#C)C(=O)C1	REAL300020312024	1	41	-1.0	-147.77	375.50	6.64	-141.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OC)C1	REAL300020312025	0	42	-1.0	-41.71	348.18	5.64	-36.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OC)C1	REAL300020312025	1	42	-1.0	-41.68	348.23	5.65	-36.03
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OC)C1	REAL300020312026	0	39	-1.0	-45.16	326.59	4.87	-40.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OC)C1	REAL300020312026	1	39	-1.0	-45.13	326.53	4.85	-40.28
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(OC)C1	REAL300020312027	0	46	-1.0	-42.82	375.74	7.58	-35.24
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(OC)C1	REAL300020312027	1	46	-1.0	-42.83	375.77	7.58	-35.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=CC(OC)=C1	REAL300020312028	0	52	-1.0	-42.12	438.12	9.17	-32.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=CC(OC)=C1	REAL300020312028	1	52	-1.0	-42.15	438.18	9.19	-32.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=CC(OC)=C1	REAL300020312029	0	49	-1.0	-44.26	410.11	8.16	-36.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=CC(OC)=C1	REAL300020312029	1	49	-1.0	-44.24	410.05	8.13	-36.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020312030	0	48	-1.0	-39.75	411.09	10.58	-29.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020312030	1	48	-1.0	-39.75	411.14	10.59	-29.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020312031	0	45	-1.0	-44.27	382.73	8.77	-35.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC(C)=C2C1	REAL300020312031	1	45	-1.0	-44.26	382.67	8.75	-35.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020312032	0	45	-1.0	-40.98	378.71	9.40	-31.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020312032	1	45	-1.0	-41.00	378.77	9.42	-31.58
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020312033	0	42	-1.0	-43.79	356.68	8.59	-35.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020312033	1	42	-1.0	-43.74	356.62	8.57	-35.17
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020312034	0	49	-1.0	-42.17	403.85	11.20	-30.97
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2=CC=C(C)C=C2C1	REAL300020312034	1	49	-1.0	-42.17	403.89	11.19	-30.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020312035	0	45	-1.0	-46.15	371.21	6.40	-39.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020312035	1	45	-1.0	-46.16	371.26	6.41	-39.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020312036	0	42	-1.0	-47.36	348.16	5.65	-41.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=NN2CC1C	REAL300020312036	1	42	-1.0	-47.36	348.10	5.63	-41.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020312037	0	49	-1.0	-51.38	400.47	4.81	-46.57
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)(C)C1	REAL300020312037	1	49	-1.0	-51.36	400.52	4.82	-46.54
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020312038	0	47	-1.0	-41.47	389.34	8.76	-32.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020312038	1	47	-1.0	-41.52	389.39	8.78	-32.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020312039	0	44	-1.0	-43.54	356.91	7.63	-35.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(F)F)C1	REAL300020312039	1	44	-1.0	-43.57	356.98	7.66	-35.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020312040	0	54	-1.0	-40.35	439.74	11.30	-29.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020312040	1	54	-1.0	-40.39	439.80	11.31	-29.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020312041	0	51	-1.0	-43.85	413.94	10.64	-33.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)C2=CC=CC=C2)C1	REAL300020312041	1	51	-1.0	-43.85	414.00	10.65	-33.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020312042	0	55	-1.0	-39.94	405.49	9.76	-30.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020312042	1	55	-1.0	-39.95	405.55	9.78	-30.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020312043	0	52	-1.0	-42.36	383.95	8.97	-33.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C)[C@H]2OCC[C@H]2C1	REAL300020312043	1	52	-1.0	-42.39	384.01	8.99	-33.40
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(CC)CC1	REAL300020312044	0	48	-1.0	-40.15	389.90	7.31	-32.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(CC)CC1	REAL300020312044	1	48	-1.0	-40.20	389.95	7.32	-32.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(CC)CC1	REAL300020312045	0	45	-1.0	-41.52	365.53	6.64	-34.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(CC)CC1	REAL300020312045	1	45	-1.0	-41.50	365.58	6.67	-34.83
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOC(CC)CC1	REAL300020312046	0	52	-1.0	-41.21	416.85	9.21	-32.00
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOC(CC)CC1	REAL300020312046	1	52	-1.0	-41.17	416.87	9.20	-31.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020312047	0	51	-1.0	-41.03	379.88	9.39	-31.64
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020312047	1	51	-1.0	-41.05	379.93	9.41	-31.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020312048	0	48	-1.0	-43.59	355.98	8.77	-34.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)CC1	REAL300020312048	1	48	-1.0	-43.55	356.04	8.79	-34.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC=C)(C(=O)OC)CC1	REAL300020312049	0	54	-1.0	-47.66	436.32	9.78	-37.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC=C)(C(=O)OC)CC1	REAL300020312049	1	54	-1.0	-47.67	436.38	9.80	-37.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020312050	0	45	-1.0	-43.08	379.10	9.58	-33.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020312050	1	45	-1.0	-43.11	379.04	9.56	-33.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020312051	0	42	-1.0	-45.67	356.77	9.06	-36.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=C(C)C(OC)=C1	REAL300020312051	1	42	-1.0	-45.70	356.71	9.04	-36.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020312052	0	45	-1.0	-49.57	373.61	5.25	-44.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020312052	1	45	-1.0	-49.55	373.67	5.27	-44.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020312053	0	42	-1.0	-50.31	355.06	4.90	-45.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=CC(=O)N2)C1	REAL300020312053	1	42	-1.0	-50.29	354.99	4.87	-45.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020312054	0	48	-1.0	-40.05	405.64	9.65	-30.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020312054	1	48	-1.0	-40.06	405.69	9.66	-30.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020312055	0	45	-1.0	-44.87	378.15	8.66	-36.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(Cl)=CC=C2C1C	REAL300020312055	1	45	-1.0	-44.85	378.10	8.64	-36.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020312056	0	45	-1.0	-48.12	388.60	8.32	-39.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020312056	1	45	-1.0	-48.10	388.66	8.34	-39.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020312057	0	42	-1.0	-44.45	372.53	7.76	-36.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)C1	REAL300020312057	1	42	-1.0	-44.46	372.59	7.78	-36.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300020312058	0	49	-1.0	-46.09	403.57	6.72	-39.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300020312058	1	49	-1.0	-46.12	403.63	6.74	-39.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020312059	0	52	-1.0	-42.21	415.49	10.86	-31.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020312059	1	52	-1.0	-42.22	415.55	10.87	-31.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020312060	0	49	-1.0	-45.55	392.06	10.39	-35.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CCC3=CC=CC=C32)C1	REAL300020312060	1	49	-1.0	-45.53	392.00	10.36	-35.17
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020312061	0	55	-1.0	-40.47	415.99	8.94	-31.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020312061	1	55	-1.0	-40.48	416.05	8.95	-31.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020312062	0	52	-1.0	-43.29	393.79	8.08	-35.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2CCO[C@@H]2CC(C)(C)C1	REAL300020312062	1	52	-1.0	-43.33	393.85	8.10	-35.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020312063	0	49	-1.0	-46.72	397.50	5.67	-41.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020312063	1	49	-1.0	-46.73	397.55	5.69	-41.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020312064	0	46	-1.0	-44.36	373.46	4.89	-39.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCC(=O)NC2C1	REAL300020312064	1	46	-1.0	-44.37	373.52	4.92	-39.45
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(=CCC)C1	REAL300020312065	0	45	-1.0	-40.82	368.50	8.60	-32.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(=CCC)C1	REAL300020312065	1	45	-1.0	-40.83	368.56	8.61	-32.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(=CCC)C1	REAL300020312066	0	42	-1.0	-42.34	351.70	7.93	-34.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(=CCC)C1	REAL300020312066	1	42	-1.0	-42.37	351.65	7.91	-34.46
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(=CCC)C1	REAL300020312067	0	49	-1.0	-41.88	399.69	10.74	-31.14
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(=CCC)C1	REAL300020312067	1	49	-1.0	-41.88	399.73	10.73	-31.15
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020312068	0	46	-1.0	-48.92	397.24	2.66	-46.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020312068	1	46	-1.0	-48.93	397.30	2.67	-46.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020312069	0	43	-1.0	-50.22	379.59	1.97	-48.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](NS(C)(=O)=O)C1	REAL300020312069	1	43	-1.0	-50.24	379.65	1.99	-48.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020312070	0	48	-1.0	-41.47	393.95	5.35	-36.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020312070	1	48	-1.0	-41.44	394.01	5.36	-36.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCO)CC1	REAL300020312071	0	45	-1.0	-43.63	372.45	4.57	-39.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCO)CC1	REAL300020312071	1	45	-1.0	-43.64	372.50	4.60	-39.04
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020312072	0	52	-1.0	-42.75	420.75	7.28	-35.47
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CCO)CC1	REAL300020312072	1	52	-1.0	-42.67	420.78	7.27	-35.40
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020312073	0	44	-1.0	-42.76	371.22	8.17	-34.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020312073	1	44	-1.0	-42.77	371.28	8.18	-34.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC(F)F)C1	REAL300020312074	0	41	-1.0	-45.43	352.87	7.49	-37.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC(F)F)C1	REAL300020312074	1	41	-1.0	-45.43	352.93	7.51	-37.92
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(CC(F)F)C1	REAL300020312075	0	48	-1.0	-43.42	393.93	10.07	-33.35
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(CC(F)F)C1	REAL300020312075	1	48	-1.0	-43.39	393.96	10.06	-33.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020312076	0	51	0.0	-65.48	406.23	9.37	-56.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020312076	1	51	0.0	-64.62	402.46	8.91	-55.71
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCN(CC=C)CC1	REAL300020312076	1	50	-1.0	-40.07	401.86	7.02	-33.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020312077	0	48	0.0	-65.20	377.70	8.84	-56.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020312077	1	48	0.0	-63.74	384.62	8.24	-55.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@@H+](CC=C)CC1	REAL300020312077	1	48	0.0	-65.25	377.75	8.87	-56.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[N@H+](CC=C)CC1	REAL300020312077	1	48	0.0	-63.76	384.69	8.28	-55.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CN(CC#C)N=C1	REAL300020312079	0	37	-1.0	-51.53	337.42	8.25	-43.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CN(CC#C)N=C1	REAL300020312079	1	37	-1.0	-51.55	337.37	8.23	-43.32
C#CCCN1C(NC2=CN(CC#C)N=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020312080	0	44	-1.0	-50.62	392.61	10.86	-39.76
C#CCCN1C(NC2=CN(CC#C)N=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020312080	1	44	-1.0	-50.70	392.68	10.88	-39.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020312081	0	55	0.0	-67.16	412.00	9.26	-57.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020312081	1	55	0.0	-67.18	412.05	9.27	-57.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020312082	0	52	0.0	-61.96	386.70	8.54	-53.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC23CCCC2(C1)C[NH+](C)C3	REAL300020312082	1	52	0.0	-61.95	386.75	8.56	-53.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C	REAL300020312083	0	53	-1.0	-49.12	425.84	6.34	-42.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C	REAL300020312083	1	53	-1.0	-49.16	425.89	6.36	-42.80
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020312084	0	51	-1.0	-40.58	397.86	9.39	-31.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020312084	1	51	-1.0	-40.57	397.92	9.40	-31.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020312085	0	48	-1.0	-44.37	366.44	8.01	-36.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCCC2)CC1C	REAL300020312085	1	48	-1.0	-44.35	366.49	8.04	-36.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)C1CCOC1	REAL300020312086	0	45	-1.0	-41.74	345.71	5.78	-35.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)C1CCOC1	REAL300020312086	1	45	-1.0	-41.72	345.77	5.80	-35.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)C1CCOC1	REAL300020312087	0	42	-1.0	-44.56	334.44	5.46	-39.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)C1CCOC1	REAL300020312087	1	42	-1.0	-44.57	334.38	5.43	-39.14
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)C1CCOC1	REAL300020312088	0	49	-1.0	-42.90	383.63	7.97	-34.93
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)C1CCOC1	REAL300020312088	1	49	-1.0	-42.82	383.73	7.96	-34.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020312089	0	51	-1.0	-40.79	394.31	9.67	-31.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020312089	1	51	-1.0	-40.80	394.37	9.69	-31.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C)CCCC12	REAL300020312090	0	48	-1.0	-44.84	370.00	8.84	-36.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C)CCCC12	REAL300020312090	1	48	-1.0	-44.81	369.94	8.83	-35.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020312091	0	50	-1.0	-47.06	422.53	6.17	-40.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020312091	1	50	-1.0	-47.09	422.59	6.18	-40.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020312092	0	47	-1.0	-48.13	397.28	5.48	-42.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2(C#N)CO)CC1	REAL300020312092	1	47	-1.0	-48.15	397.33	5.50	-42.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020312093	0	51	-1.0	-41.89	416.64	11.13	-30.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020312093	1	51	-1.0	-41.88	416.70	11.15	-30.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020312094	0	48	-1.0	-46.66	392.54	10.11	-36.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300020312094	1	48	-1.0	-46.63	392.59	10.13	-36.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020312095	0	44	-1.0	-43.37	399.73	7.38	-35.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020312095	1	44	-1.0	-43.33	399.78	7.40	-35.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020312096	0	41	-1.0	-46.59	373.99	6.40	-40.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NN(C)C=C1Cl	REAL300020312096	1	41	-1.0	-46.62	374.05	6.43	-40.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOCCOC	REAL300020312097	0	51	-1.0	-41.47	422.98	6.32	-35.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOCCOC	REAL300020312097	1	51	-1.0	-41.52	423.04	6.33	-35.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOCCOC	REAL300020312098	0	48	-1.0	-44.31	393.84	5.06	-39.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOCCOC	REAL300020312098	1	48	-1.0	-44.28	393.90	5.08	-39.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1(CC#C)C(=O)OC	REAL300020312099	0	49	-1.0	-43.14	415.61	8.46	-34.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1(CC#C)C(=O)OC	REAL300020312099	1	49	-1.0	-43.09	415.61	8.48	-34.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1(CC#C)C(=O)OC	REAL300020312100	0	46	-1.0	-43.86	381.28	7.29	-36.57
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1(CC#C)C(=O)OC	REAL300020312100	1	46	-1.0	-43.89	381.22	7.26	-36.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020312101	0	53	-1.0	-48.45	419.60	5.48	-42.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020312101	1	53	-1.0	-48.45	419.66	5.50	-42.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020312102	0	50	-1.0	-52.91	393.65	4.77	-48.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CCOCC2)C(=O)C1	REAL300020312102	1	50	-1.0	-52.88	393.71	4.78	-48.10
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020312103	0	53	-1.0	-40.64	423.74	8.19	-32.45
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020312103	1	53	-1.0	-40.63	423.80	8.20	-32.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020312104	0	50	-1.0	-42.32	394.62	6.97	-35.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCOC(C)(C)C	REAL300020312104	1	50	-1.0	-42.38	394.67	6.99	-35.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020312105	0	51	-1.0	-47.19	418.83	7.71	-39.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020312105	1	51	-1.0	-47.20	418.89	7.72	-39.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020312106	0	48	-1.0	-50.67	397.04	7.11	-43.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300020312106	1	48	-1.0	-50.63	397.10	7.12	-43.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C=C)C1	REAL300020312107	0	45	-1.0	-39.77	373.21	8.45	-31.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C=C)C1	REAL300020312107	1	45	-1.0	-39.80	373.27	8.46	-31.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C=C)C1	REAL300020312108	0	42	-1.0	-41.84	355.49	7.82	-34.02
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C=C)C1	REAL300020312108	1	42	-1.0	-41.80	355.43	7.79	-34.01
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC(C=C)C1	REAL300020312109	0	49	-1.0	-41.91	394.17	10.58	-31.33
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC(C=C)C1	REAL300020312109	1	49	-1.0	-41.85	394.20	10.57	-31.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020312110	0	53	-1.0	-39.98	418.91	8.60	-31.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020312110	1	53	-1.0	-39.93	418.97	8.61	-31.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020312111	0	50	-1.0	-42.18	391.78	8.17	-34.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)OC2(CCC2)C1	REAL300020312111	1	50	-1.0	-42.19	391.83	8.18	-34.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020312112	0	51	-1.0	-40.66	385.25	7.35	-33.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020312112	1	51	-1.0	-40.68	385.31	7.37	-33.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020312113	0	48	-1.0	-43.33	373.89	6.79	-36.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC(C)OC(C)C1	REAL300020312113	1	48	-1.0	-43.29	373.94	6.81	-36.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020312114	0	43	-1.0	-41.84	371.98	4.79	-37.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020312114	1	43	-1.0	-41.90	372.04	4.81	-37.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020312115	0	40	-1.0	-42.88	344.39	4.14	-38.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020312115	1	40	-1.0	-42.93	344.33	4.11	-38.82
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020312116	0	47	-1.0	-43.65	389.71	6.81	-36.84
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)NC2(CC2)C1	REAL300020312116	1	47	-1.0	-43.62	389.72	6.80	-36.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020312117	0	50	-1.0	-40.05	397.14	6.86	-33.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020312117	1	51	0.0	-61.68	396.60	9.05	-52.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020312117	1	51	0.0	-60.86	405.16	9.30	-51.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020312117	1	50	-1.0	-40.01	397.20	6.88	-33.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020312118	0	48	0.0	-60.66	384.06	8.57	-52.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020312118	1	48	0.0	-59.30	383.59	8.50	-50.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@H+](C2CC2)C(C)C1	REAL300020312118	1	48	0.0	-60.69	384.12	8.60	-52.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[N@@H+](C2CC2)C(C)C1	REAL300020312118	1	48	0.0	-59.31	383.64	8.52	-50.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020312118	1	47	-1.0	-41.83	379.07	6.18	-35.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2CC2)C(C)C1	REAL300020312118	1	47	-1.0	-41.82	379.13	6.21	-35.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020312119	0	53	-1.0	-41.16	411.85	6.00	-35.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020312119	1	53	-1.0	-41.12	411.91	6.02	-35.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020312120	0	50	-1.0	-42.80	401.93	5.80	-37.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2(COC(C)(C)C2)C1	REAL300020312120	1	50	-1.0	-42.86	401.98	5.82	-37.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020312121	0	50	-1.0	-43.47	407.00	9.09	-34.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300020312121	1	50	-1.0	-43.47	407.06	9.12	-34.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020312122	0	48	-1.0	-42.20	405.61	10.91	-31.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020312122	1	48	-1.0	-42.22	405.67	10.92	-31.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020312123	0	45	-1.0	-42.38	388.99	10.30	-32.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC(F)=C1	REAL300020312123	1	45	-1.0	-42.37	388.93	10.27	-32.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020312124	0	52	-1.0	-48.93	420.98	10.18	-38.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(OC)=CC=C1C	REAL300020312124	1	52	-1.0	-48.95	420.93	10.16	-38.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020312125	0	44	-1.0	-40.62	372.44	8.31	-32.31
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020312125	1	44	-1.0	-40.55	372.50	8.33	-32.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020312126	0	41	-1.0	-42.42	357.37	7.50	-34.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(F)(F)F)C[C@H]1C	REAL300020312126	1	41	-1.0	-42.46	357.42	7.52	-34.94
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020312127	0	47	-1.0	-41.74	376.53	9.21	-32.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020312127	1	47	-1.0	-41.70	376.59	9.22	-32.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020312128	0	44	-1.0	-41.98	347.96	7.11	-34.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)C(F)(F)CC1	REAL300020312128	1	44	-1.0	-41.97	348.02	7.14	-34.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020312129	0	57	-1.0	-40.94	433.93	10.78	-30.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020312129	1	57	-1.0	-40.96	433.98	10.79	-30.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020312130	0	54	-1.0	-44.15	406.93	10.09	-34.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C2CCCCC2)CC1C	REAL300020312130	1	54	-1.0	-44.10	406.98	10.11	-33.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020312131	0	45	-1.0	-48.14	403.14	11.70	-36.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020312131	1	45	-1.0	-48.07	403.08	11.66	-36.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020312132	0	41	-1.0	-40.47	342.08	7.14	-33.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020312132	1	41	-1.0	-40.49	342.14	7.16	-33.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C1C	REAL300020312133	0	38	-1.0	-44.38	323.04	7.01	-37.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C1C	REAL300020312133	1	38	-1.0	-44.40	323.10	7.03	-37.37
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(F)C1C	REAL300020312134	0	45	-1.0	-42.32	374.52	9.23	-33.09
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(F)C1C	REAL300020312134	1	45	-1.0	-42.32	374.55	9.23	-33.09
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CCC1=CC=CC=C1	REAL300020312135	0	51	-1.0	-40.95	434.26	11.06	-29.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CCC1=CC=CC=C1	REAL300020312135	1	51	-1.0	-40.96	434.32	11.07	-29.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CCC1=CC=CC=C1	REAL300020312136	0	48	-1.0	-45.82	403.62	9.70	-36.12
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CCC1=CC=CC=C1	REAL300020312136	1	48	-1.0	-45.86	403.56	9.67	-36.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020312137	0	45	-1.0	-46.48	394.58	11.00	-35.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(C)C(C2=CC=C(F)C=C2)=C1	REAL300020312137	1	45	-1.0	-46.45	394.52	10.98	-35.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020312138	0	56	-1.0	-38.83	421.75	9.64	-29.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020312138	1	56	-1.0	-38.86	421.80	9.66	-29.20
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCCCCCC1	REAL300020312139	0	53	-1.0	-41.09	404.47	8.98	-32.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCCCCCC1	REAL300020312139	1	53	-1.0	-41.09	404.53	9.00	-32.09
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020312140	0	48	-1.0	-40.29	383.83	9.18	-31.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020312140	1	48	-1.0	-40.28	383.89	9.19	-31.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCC2)C1	REAL300020312141	0	45	-1.0	-42.04	365.99	8.54	-33.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCC2)C1	REAL300020312141	1	45	-1.0	-42.04	365.93	8.52	-33.52
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020312142	0	52	-1.0	-41.11	415.89	11.28	-29.83
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCC2)C1	REAL300020312142	1	52	-1.0	-41.04	415.89	11.26	-29.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCC(CC)C1	REAL300020312143	0	48	-1.0	-39.93	378.45	7.54	-32.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCC(CC)C1	REAL300020312143	1	48	-1.0	-39.99	378.51	7.56	-32.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCC(CC)C1	REAL300020312144	0	45	-1.0	-43.51	364.85	6.19	-37.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCC(CC)C1	REAL300020312144	1	45	-1.0	-43.50	364.79	6.16	-37.34
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCC(CC)C1	REAL300020312145	0	52	-1.0	-40.87	414.32	8.77	-32.10
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCC(CC)C1	REAL300020312145	1	52	-1.0	-40.88	414.34	8.76	-32.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020312146	0	57	-1.0	-40.56	413.72	11.04	-29.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020312146	1	57	-1.0	-40.54	413.77	11.06	-29.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020312147	0	54	-1.0	-43.29	401.81	10.59	-32.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCCC2)C1	REAL300020312147	1	54	-1.0	-43.32	401.86	10.61	-32.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020312148	0	50	-1.0	-57.89	390.93	6.06	-51.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC(S(C)(=O)=O)C1	REAL300020312148	1	50	-1.0	-57.87	390.98	6.08	-51.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020312149	0	45	-1.0	-40.35	372.40	6.51	-33.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020312149	1	45	-1.0	-40.29	372.46	6.52	-33.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020312150	0	42	-1.0	-42.16	354.79	5.83	-36.33
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020312150	1	42	-1.0	-42.19	354.73	5.81	-36.38
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020312151	0	49	-1.0	-42.18	393.16	8.61	-33.57
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@@H](CC)C1	REAL300020312151	1	49	-1.0	-42.11	393.19	8.60	-33.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020312152	0	48	-1.0	-42.81	409.31	10.98	-31.83
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020312152	1	48	-1.0	-42.84	409.37	10.99	-31.85
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020312153	0	45	-1.0	-44.00	374.80	8.68	-35.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(F)=CC=C1F	REAL300020312153	1	45	-1.0	-44.04	374.75	8.66	-35.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020312154	0	52	-1.0	-39.58	404.60	10.23	-29.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020312154	1	52	-1.0	-39.53	404.65	10.24	-29.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020312155	0	49	-1.0	-42.91	387.33	9.57	-33.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCCC2)C1	REAL300020312155	1	49	-1.0	-42.92	387.27	9.54	-33.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#C)(C(=O)OCC)CC1	REAL300020312156	0	52	-1.0	-158.73	448.85	10.28	-148.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#C)(C(=O)OCC)CC1	REAL300020312156	1	52	-1.0	-158.66	448.96	10.30	-148.36
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020312157	0	49	-1.0	-46.84	415.57	3.29	-43.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020312157	1	49	-1.0	-46.90	415.62	3.31	-43.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020312158	0	46	-1.0	-48.56	392.54	2.81	-45.75
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](NS(C)(=O)=O)C1	REAL300020312158	1	46	-1.0	-48.56	392.60	2.83	-45.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020312159	0	47	-1.0	-42.69	394.90	9.94	-32.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020312159	1	47	-1.0	-42.71	394.96	9.95	-32.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020312160	0	44	-1.0	-43.51	385.93	9.22	-34.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1	REAL300020312160	1	44	-1.0	-43.50	385.98	9.24	-34.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020312161	0	50	-1.0	-43.95	405.35	1.95	-42.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020312161	1	50	-1.0	-43.93	405.41	1.96	-41.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020312162	0	47	-1.0	-45.17	387.59	1.29	-43.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)C2O)CC1	REAL300020312162	1	47	-1.0	-45.19	387.64	1.32	-43.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020312163	0	42	-1.0	-39.58	357.82	6.91	-32.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020312163	1	42	-1.0	-39.58	357.88	6.92	-32.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC[C@H]1C	REAL300020312164	0	39	-1.0	-41.31	336.34	6.15	-35.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC[C@H]1C	REAL300020312164	1	39	-1.0	-41.27	336.29	6.12	-35.15
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC[C@H]1C	REAL300020312165	0	46	-1.0	-41.03	385.89	8.82	-32.21
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC[C@H]1C	REAL300020312165	1	46	-1.0	-41.03	385.94	8.80	-32.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(CCC=C)CC1	REAL300020312166	0	52	-1.0	-47.67	426.95	9.60	-38.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(CCC=C)CC1	REAL300020312166	1	52	-1.0	-47.69	427.01	9.61	-38.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C#N)(CCC=C)CC1	REAL300020312167	0	49	-1.0	-49.90	409.16	8.95	-40.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C#N)(CCC=C)CC1	REAL300020312167	1	49	-1.0	-49.96	409.21	8.97	-40.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=C(C)C=C1	REAL300020312168	0	51	-1.0	-41.38	420.29	10.33	-31.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=C(C)C=C1	REAL300020312168	1	51	-1.0	-41.39	420.34	10.35	-31.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=C(C)C=C1	REAL300020312169	0	48	-1.0	-44.68	401.74	9.52	-35.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=C(C)C=C1	REAL300020312169	1	48	-1.0	-44.72	401.67	9.50	-35.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020312170	0	54	-1.0	-40.36	403.01	10.77	-29.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020312170	1	54	-1.0	-40.33	403.07	10.79	-29.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020312171	0	51	-1.0	-42.25	383.81	9.97	-32.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCCC2)C1	REAL300020312171	1	51	-1.0	-42.20	383.86	9.99	-32.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=C(F)C=C1	REAL300020312172	0	48	-1.0	-41.14	405.29	9.72	-31.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=C(F)C=C1	REAL300020312172	1	48	-1.0	-41.13	405.35	9.74	-31.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=C(F)C=C1	REAL300020312173	0	45	-1.0	-43.81	383.89	9.08	-34.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=C(F)C=C1	REAL300020312173	1	45	-1.0	-43.82	383.83	9.06	-34.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020312174	0	46	-1.0	-46.41	399.35	6.16	-40.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC2=C(C=NN2C)C(=O)N1	REAL300020312174	1	46	-1.0	-46.43	399.41	6.19	-40.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020312175	0	46	-1.0	-43.76	385.10	5.94	-37.82
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020312175	1	46	-1.0	-43.75	385.15	5.96	-37.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020312176	0	43	-1.0	-46.73	367.27	5.28	-41.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC(F)F)CC1	REAL300020312176	1	43	-1.0	-46.68	367.32	5.30	-41.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020312177	0	51	-1.0	-40.44	390.47	9.43	-31.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020312177	1	51	-1.0	-40.45	390.53	9.44	-31.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2C1	REAL300020312178	0	48	-1.0	-42.87	370.47	8.45	-34.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2C1	REAL300020312178	1	48	-1.0	-42.91	370.53	8.47	-34.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020312179	0	46	-1.0	-51.01	389.96	2.60	-48.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020312179	1	46	-1.0	-51.04	390.02	2.61	-48.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020312180	0	43	-1.0	-52.09	378.72	1.72	-50.37
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](NS(C)(=O)=O)C1	REAL300020312180	1	43	-1.0	-52.09	378.78	1.75	-50.34
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020312181	0	44	-1.0	-40.61	385.53	8.37	-32.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020312181	1	44	-1.0	-40.60	385.59	8.39	-32.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020312182	0	41	-1.0	-42.02	364.04	7.59	-34.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)CC1	REAL300020312182	1	41	-1.0	-42.04	364.09	7.61	-34.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020312183	0	41	-1.0	-42.05	366.83	7.56	-34.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020312183	1	41	-1.0	-42.04	366.88	7.59	-34.45
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020312184	0	43	-1.0	-44.46	369.34	7.74	-36.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020312184	1	43	-1.0	-44.52	369.40	7.75	-36.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020312185	0	40	-1.0	-47.08	342.52	7.09	-39.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN2CCOCC2=C1	REAL300020312185	1	40	-1.0	-47.05	342.47	7.07	-39.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020312186	0	47	-1.0	-42.76	399.24	5.53	-37.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020312186	1	47	-1.0	-42.77	399.30	5.54	-37.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020312187	0	44	-1.0	-44.46	377.78	4.77	-39.69
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC2=CC=CC(O)=C2C1	REAL300020312187	1	44	-1.0	-44.45	377.73	4.74	-39.71
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020312188	0	54	-1.0	-44.20	441.23	2.61	-41.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020312188	1	54	-1.0	-44.20	441.29	2.62	-41.58
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020312188	1	55	0.0	-66.97	441.97	4.88	-62.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020312189	0	51	-1.0	-46.11	423.08	1.89	-44.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CCOCCO)CC1	REAL300020312189	1	51	-1.0	-46.13	423.14	1.91	-44.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CCOCCO)CC1	REAL300020312189	1	52	0.0	-65.36	420.07	4.27	-61.09
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020312190	0	48	-1.0	-41.56	383.40	5.00	-36.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020312190	1	48	-1.0	-41.53	383.46	5.01	-36.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CO)CC1	REAL300020312191	0	45	-1.0	-45.03	361.88	4.44	-40.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CO)CC1	REAL300020312191	1	45	-1.0	-45.01	361.94	4.47	-40.54
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020312192	0	52	-1.0	-42.60	413.38	7.30	-35.30
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C)(CO)CC1	REAL300020312192	1	52	-1.0	-42.58	413.41	7.29	-35.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020312193	0	52	-1.0	-48.50	405.19	9.36	-39.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020312193	1	52	-1.0	-48.49	405.25	9.38	-39.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020312194	0	49	-1.0	-49.70	378.29	8.68	-41.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCC2(C#N)C1	REAL300020312194	1	49	-1.0	-49.71	378.35	8.70	-41.01
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020312195	0	48	-1.0	-46.70	389.04	4.24	-42.46
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020312195	1	48	-1.0	-46.69	389.10	4.25	-42.44
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020312196	0	45	-1.0	-50.77	366.37	3.66	-47.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(N)=O)CC[C@H]1C	REAL300020312196	1	45	-1.0	-50.76	366.32	3.65	-47.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020312197	0	48	-1.0	-42.37	411.94	10.20	-32.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C2=CC=C(Cl)C=C2)C1	REAL300020312197	1	48	-1.0	-42.37	412.00	10.23	-32.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020312198	0	45	-1.0	-42.05	370.24	6.57	-35.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020312198	1	45	-1.0	-42.07	370.30	6.58	-35.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCO1	REAL300020312199	0	42	-1.0	-43.95	350.95	5.77	-38.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCO1	REAL300020312199	1	42	-1.0	-43.93	350.89	5.74	-38.19
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020312200	0	49	-1.0	-43.51	394.11	8.44	-35.07
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)CC1CCCO1	REAL300020312200	1	49	-1.0	-43.55	394.14	8.43	-35.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@]1(C)C#C	REAL300020312201	0	43	-1.0	-42.60	359.36	8.18	-34.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@]1(C)C#C	REAL300020312201	1	43	-1.0	-42.59	359.42	8.20	-34.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@]1(C)C#C	REAL300020312202	0	40	-1.0	-45.32	329.99	7.40	-37.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@]1(C)C#C	REAL300020312202	1	40	-1.0	-45.35	329.93	7.37	-37.98
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@]1(C)C#C	REAL300020312203	0	47	-1.0	-43.69	387.77	10.16	-33.53
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@]1(C)C#C	REAL300020312203	1	47	-1.0	-43.66	387.83	10.15	-33.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020312204	0	49	-1.0	-42.14	427.06	8.70	-33.44
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020312204	1	49	-1.0	-42.15	427.11	8.71	-33.44
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020312205	0	46	-1.0	-44.20	390.68	7.44	-36.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2=CC=C(C)S2)C1	REAL300020312205	1	46	-1.0	-44.19	390.74	7.47	-36.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020312206	0	47	-1.0	-42.74	412.95	10.00	-32.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020312206	1	47	-1.0	-42.73	413.01	10.02	-32.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020312207	0	44	-1.0	-44.29	391.39	9.25	-35.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=CC=C(F)C=C1F	REAL300020312207	1	44	-1.0	-44.30	391.44	9.27	-35.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020312208	0	51	-1.0	-42.97	407.70	6.30	-36.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020312208	1	51	-1.0	-43.02	407.76	6.31	-36.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020312209	0	48	-1.0	-42.56	385.27	5.75	-36.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)CC(C(=O)NC)C1	REAL300020312209	1	48	-1.0	-42.56	385.35	5.77	-36.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020312210	0	49	-1.0	-49.18	407.92	4.75	-44.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020312210	1	49	-1.0	-49.14	407.98	4.76	-44.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020312211	0	46	-1.0	-51.55	382.30	3.86	-47.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(S(C)(=O)=O)C(C)C1	REAL300020312211	1	46	-1.0	-51.58	382.36	3.88	-47.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020312212	0	40	-1.0	-42.20	377.57	7.18	-35.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=NC=C(Cl)C=C1Cl	REAL300020312212	1	40	-1.0	-42.22	377.63	7.20	-35.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=CC(F)=C1	REAL300020312213	0	48	-1.0	-41.16	415.00	9.94	-31.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=CC(F)=C1	REAL300020312213	1	48	-1.0	-41.15	415.06	9.96	-31.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC=C)CC1=CC=CC(F)=C1	REAL300020312214	0	45	-1.0	-42.44	387.02	8.93	-33.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC=C)CC1=CC=CC(F)=C1	REAL300020312214	1	45	-1.0	-42.48	386.97	8.90	-33.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020312215	0	52	-1.0	-42.29	421.10	4.93	-37.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020312215	1	52	-1.0	-42.30	421.16	4.94	-37.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020312216	0	49	-1.0	-43.43	388.38	3.55	-39.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(CCO)OC(C)(C)C1	REAL300020312216	1	49	-1.0	-43.42	388.43	3.58	-39.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020312217	0	53	0.0	-62.40	431.13	7.88	-54.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020312217	1	53	0.0	-62.40	431.08	7.86	-54.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020312218	0	50	0.0	-62.75	409.27	7.28	-55.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020312218	1	50	0.0	-62.75	409.22	7.26	-55.49
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020312219	0	48	-1.0	-41.37	386.36	9.78	-31.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020312219	1	48	-1.0	-41.36	386.42	9.80	-31.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020312220	0	45	-1.0	-43.91	364.26	9.25	-34.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC2(F)F)CC1	REAL300020312220	1	45	-1.0	-43.92	364.32	9.27	-34.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020312221	0	52	-1.0	-42.97	430.63	8.20	-34.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020312221	1	52	-1.0	-43.02	430.68	8.21	-34.81
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020312222	0	49	-1.0	-44.82	409.12	7.40	-37.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=C(O)C=C2)C1	REAL300020312222	1	49	-1.0	-44.79	409.18	7.43	-37.36
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020312223	0	54	-1.0	-41.41	417.24	6.30	-35.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020312223	1	54	-1.0	-41.40	417.30	6.32	-35.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020312224	0	51	-1.0	-43.11	400.03	5.44	-37.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)CO)CC1	REAL300020312224	1	51	-1.0	-43.12	400.09	5.47	-37.65
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020312225	0	52	-1.0	-44.41	422.39	7.90	-36.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300020312225	1	52	-1.0	-44.39	422.45	7.92	-36.47
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020312226	0	47	-1.0	-44.05	393.01	4.09	-39.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020312226	1	47	-1.0	-44.05	393.07	4.10	-39.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020312227	0	44	-1.0	-44.01	370.08	3.49	-40.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2(O)CC2)C1	REAL300020312227	1	44	-1.0	-44.04	370.14	3.51	-40.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020312228	0	52	-1.0	-40.92	429.98	11.45	-29.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020312228	1	52	-1.0	-40.90	430.04	11.47	-29.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020312229	0	49	-1.0	-43.71	397.12	10.82	-32.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C2=CC=C(C)C=C2)C1	REAL300020312229	1	49	-1.0	-43.71	397.18	10.84	-32.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020312230	0	48	-1.0	-44.10	406.19	10.24	-33.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300020312230	1	48	-1.0	-44.11	406.25	10.25	-33.86
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020312231	0	42	-1.0	-41.64	357.13	8.18	-33.46
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020312231	1	42	-1.0	-41.72	357.17	8.20	-33.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020312232	0	39	-1.0	-42.10	332.13	7.34	-34.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020312232	1	39	-1.0	-42.10	332.19	7.36	-34.74
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020312233	0	46	-1.0	-43.07	384.88	10.13	-32.94
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@]2(C(F)F)C1	REAL300020312233	1	46	-1.0	-43.07	384.91	10.12	-32.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020312234	0	46	-1.0	-40.28	373.96	6.99	-33.29
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020312234	1	46	-1.0	-40.33	374.02	7.01	-33.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020312235	0	43	-1.0	-41.78	356.13	6.37	-35.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020312235	1	43	-1.0	-41.79	356.17	6.40	-35.39
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020312236	0	50	-1.0	-41.83	405.43	9.28	-32.55
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(OC)(C2)C1	REAL300020312236	1	50	-1.0	-41.84	405.48	9.28	-32.56
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020312237	0	50	-1.0	-51.63	405.68	5.03	-46.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020312237	1	50	-1.0	-51.67	405.73	5.04	-46.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020312238	0	47	-1.0	-53.44	384.17	4.24	-49.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2C	REAL300020312238	1	47	-1.0	-53.46	384.23	4.27	-49.19
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020312239	0	54	-1.0	-40.56	400.21	9.91	-30.65
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020312239	1	54	-1.0	-40.52	400.27	9.92	-30.60
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CCCCCCC2C1	REAL300020312240	0	51	-1.0	-43.41	385.47	9.12	-34.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CCCCCCC2C1	REAL300020312240	1	51	-1.0	-43.44	385.53	9.15	-34.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020312241	0	49	-1.0	-41.18	388.71	9.00	-32.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020312241	1	49	-1.0	-41.20	388.77	9.02	-32.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020312242	0	46	-1.0	-42.94	361.68	8.32	-34.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCSCC2	REAL300020312242	1	46	-1.0	-42.95	361.73	8.34	-34.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCCCCC)C1	REAL300020312243	0	59	-1.0	-39.75	467.70	11.97	-27.78
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCCCCC)C1	REAL300020312243	1	59	-1.0	-39.77	467.76	11.99	-27.78
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCCCCC)C1	REAL300020312244	0	56	-1.0	-43.38	432.36	10.52	-32.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCCCCC)C1	REAL300020312244	1	56	-1.0	-43.37	432.43	10.54	-32.83
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCCC)C1	REAL300020312245	0	53	-1.0	-39.79	424.70	10.41	-29.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCCC)C1	REAL300020312245	1	53	-1.0	-39.80	424.76	10.43	-29.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCCC)C1	REAL300020312246	0	50	-1.0	-43.36	389.37	8.95	-34.41
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCCC)C1	REAL300020312246	1	50	-1.0	-43.37	389.44	8.98	-34.39
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020312247	0	53	-1.0	-46.03	418.34	8.72	-37.31
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(C)C(=O)OC)CC1	REAL300020312247	1	53	-1.0	-45.99	418.40	8.73	-37.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020312248	0	51	-1.0	-49.64	414.98	7.66	-41.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020312248	1	51	-1.0	-49.61	415.04	7.68	-41.93
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020312249	0	50	-1.0	-40.43	405.81	8.40	-32.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020312249	1	50	-1.0	-40.48	405.87	8.41	-32.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020312250	0	47	-1.0	-43.91	384.43	7.62	-36.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OC[C@H]1C[C@H]12	REAL300020312250	1	47	-1.0	-43.88	384.49	7.65	-36.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020312251	0	53	-1.0	-43.35	427.43	4.16	-39.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020312251	1	53	-1.0	-43.34	427.48	4.18	-39.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020312252	0	50	-1.0	-45.20	408.84	3.47	-41.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(C)(C)NC2=O	REAL300020312252	1	50	-1.0	-45.21	408.90	3.49	-41.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020312253	0	49	-1.0	-42.47	396.56	7.88	-34.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020312253	1	49	-1.0	-42.45	396.62	7.89	-34.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020312254	0	46	-1.0	-41.83	382.72	7.59	-34.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC2CC2)C1	REAL300020312254	1	46	-1.0	-41.81	382.78	7.62	-34.19
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020312255	0	48	-1.0	-47.59	416.23	8.03	-39.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020312255	1	48	-1.0	-47.60	416.29	8.05	-39.55
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC)C1	REAL300020312256	0	44	-1.0	-42.21	360.50	7.91	-34.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC)C1	REAL300020312256	1	44	-1.0	-42.16	360.55	7.93	-34.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CC)C1	REAL300020312257	0	41	-1.0	-46.78	342.26	7.40	-39.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CC)C1	REAL300020312257	1	41	-1.0	-46.76	342.20	7.37	-39.39
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(CC)C1	REAL300020312258	0	48	-1.0	-43.48	391.78	10.06	-33.42
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(CC)C1	REAL300020312258	1	48	-1.0	-43.47	391.82	10.06	-33.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(OCC)(OCC)CC1	REAL300020312259	0	55	-1.0	-40.44	440.80	8.22	-32.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(OCC)(OCC)CC1	REAL300020312259	1	55	-1.0	-40.39	440.85	8.24	-32.15
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(OCC)(OCC)CC1	REAL300020312260	0	52	-1.0	-43.56	408.79	7.49	-36.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(OCC)(OCC)CC1	REAL300020312260	1	52	-1.0	-43.52	408.84	7.51	-36.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C2(C(=O)OC)CCC2)CC1	REAL300020312261	0	52	-1.0	-44.04	423.16	8.98	-35.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C2(C(=O)OC)CCC2)CC1	REAL300020312261	1	52	-1.0	-44.01	423.22	9.01	-35.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2(C(=O)OC)CCC2)CC1	REAL300020312262	0	54	-1.0	-44.83	427.96	9.69	-35.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2(C(=O)OC)CCC2)CC1	REAL300020312262	1	54	-1.0	-44.79	428.01	9.72	-35.07
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020312263	0	42	-1.0	-41.63	353.99	8.02	-33.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020312263	1	42	-1.0	-41.64	354.05	8.03	-33.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020312264	0	39	-1.0	-44.85	323.39	7.16	-37.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020312264	1	39	-1.0	-44.90	323.44	7.18	-37.72
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020312265	0	46	-1.0	-42.05	382.71	10.09	-31.96
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(F)C2C1	REAL300020312265	1	46	-1.0	-42.11	382.75	10.07	-32.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020312266	0	46	-1.0	-40.69	375.81	6.51	-34.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020312266	1	46	-1.0	-40.68	375.87	6.52	-34.16
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCO2)C1	REAL300020312267	0	43	-1.0	-43.30	358.12	5.83	-37.47
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCO2)C1	REAL300020312267	1	43	-1.0	-43.33	358.06	5.81	-37.52
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020312268	0	50	-1.0	-43.73	401.94	8.74	-34.99
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC2(CCO2)C1	REAL300020312268	1	50	-1.0	-43.75	401.99	8.73	-35.02
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020312269	0	48	-1.0	-44.15	405.20	7.02	-37.13
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020312269	1	48	-1.0	-44.10	405.26	7.03	-37.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020312270	0	45	-1.0	-44.91	383.71	6.23	-38.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(C(=O)OC)C1	REAL300020312270	1	45	-1.0	-44.92	383.76	6.26	-38.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020312271	0	54	-1.0	-41.66	431.41	8.79	-32.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020312271	1	54	-1.0	-41.67	431.47	8.80	-32.87
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020312272	0	51	-1.0	-43.81	403.71	7.88	-35.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC(C)(C)C)C1	REAL300020312272	1	51	-1.0	-43.80	403.71	7.90	-35.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020312273	0	54	-1.0	-41.42	428.15	8.65	-32.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020312273	1	54	-1.0	-41.44	428.21	8.67	-32.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020312274	0	51	-1.0	-45.53	402.86	7.92	-37.61
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC(C)(C)C)C1	REAL300020312274	1	51	-1.0	-45.55	402.91	7.94	-37.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020312275	0	54	-1.0	-41.97	433.87	8.71	-33.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020312275	1	54	-1.0	-41.97	433.92	8.72	-33.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020312276	0	51	-1.0	-46.20	419.85	8.77	-37.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(C)(C)C(=O)OC)CC1	REAL300020312276	1	51	-1.0	-46.22	419.91	8.79	-37.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020312277	0	45	-1.0	-43.34	379.86	8.06	-35.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020312277	1	45	-1.0	-43.33	379.92	8.08	-35.25
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020312278	0	42	-1.0	-43.65	363.17	7.43	-36.22
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC2(C(=O)OC)C1	REAL300020312278	1	42	-1.0	-43.66	363.23	7.45	-36.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020312279	0	47	-1.0	-42.36	391.49	10.76	-31.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020312279	1	47	-1.0	-42.37	391.55	10.78	-31.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020312280	0	44	-1.0	-47.65	377.29	10.25	-37.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020312280	1	44	-1.0	-47.62	377.23	10.22	-37.40
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020312281	0	51	-1.0	-43.30	426.61	12.91	-30.39
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1=CC=C(CC)C=C1	REAL300020312281	1	51	-1.0	-43.25	426.65	12.90	-30.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020312282	0	47	-1.0	-45.00	380.12	9.61	-35.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020312282	1	47	-1.0	-44.98	380.18	9.62	-35.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020312283	0	44	-1.0	-45.03	371.26	7.90	-37.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1=CC=C2OCCOC2=C1	REAL300020312283	1	44	-1.0	-45.02	371.21	7.88	-37.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C#C)CC1=CC=C(F)C=C1	REAL300020312284	0	49	-1.0	-44.61	422.34	10.69	-33.92
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C#C)CC1=CC=C(F)C=C1	REAL300020312284	1	49	-1.0	-44.60	422.40	10.70	-33.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C#C)CC1=CC=C(F)C=C1	REAL300020312285	0	46	-1.0	-47.28	403.96	9.88	-37.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C#C)CC1=CC=C(F)C=C1	REAL300020312285	1	46	-1.0	-47.30	403.86	9.85	-37.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C#C)CC1=CC=C(F)C=C1F	REAL300020312286	0	46	-1.0	-45.01	413.98	9.59	-35.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C#C)CC1=CC=C(F)C=C1F	REAL300020312286	1	46	-1.0	-44.96	414.02	9.61	-35.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020312287	0	50	-1.0	-46.11	411.59	9.00	-37.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020312287	1	50	-1.0	-46.08	411.64	9.03	-37.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020312288	0	41	-1.0	-41.65	363.85	7.73	-33.92
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020312288	1	41	-1.0	-41.63	363.91	7.76	-33.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(COCCOC)C1	REAL300020312289	0	53	-1.0	-43.12	440.17	5.43	-37.69
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(COCCOC)C1	REAL300020312289	1	53	-1.0	-43.11	440.22	5.45	-37.66
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(COCCOC)C1	REAL300020312290	0	50	-1.0	-44.70	423.09	4.57	-40.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(COCCOC)C1	REAL300020312290	1	50	-1.0	-44.72	423.15	4.59	-40.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC#C)(C(=O)OC)C1	REAL300020312291	0	52	-1.0	-43.92	436.35	10.46	-33.46
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC#C)(C(=O)OC)C1	REAL300020312291	1	52	-1.0	-43.92	436.41	10.47	-33.45
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC#C)(C(=O)OC)C1	REAL300020312292	0	49	-1.0	-48.79	410.10	9.24	-39.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC#C)(C(=O)OC)C1	REAL300020312292	1	49	-1.0	-48.80	410.09	9.26	-39.54
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020312293	0	48	-1.0	-43.74	402.86	5.00	-38.74
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020312293	1	48	-1.0	-43.74	402.91	5.01	-38.73
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020312294	0	45	-1.0	-44.88	377.61	4.18	-40.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](O)C[C@H](C(=O)OC)C1	REAL300020312294	1	45	-1.0	-44.94	377.68	4.19	-40.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020312295	0	44	-1.0	-40.35	385.89	9.01	-31.34
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020312295	1	44	-1.0	-40.35	385.95	9.02	-31.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020312296	0	41	-1.0	-43.57	370.67	8.47	-35.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC(F)=CC=C1F	REAL300020312296	1	41	-1.0	-43.54	370.62	8.44	-35.10
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020312297	0	49	-1.0	-44.52	399.33	7.92	-36.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020312297	1	49	-1.0	-44.56	399.39	7.93	-36.63
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020312298	0	46	-1.0	-46.36	378.88	7.13	-39.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C2C1	REAL300020312298	1	46	-1.0	-46.35	378.82	7.10	-39.25
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020312299	0	48	-1.0	-41.44	401.76	8.49	-32.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020312299	1	48	-1.0	-41.43	401.82	8.50	-32.93
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020312300	0	45	-1.0	-43.13	386.58	7.63	-35.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=CC(OC)=C1	REAL300020312300	1	45	-1.0	-43.13	386.53	7.61	-35.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020312301	0	47	-1.0	-41.60	388.24	8.87	-32.73
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020312301	1	47	-1.0	-41.63	388.30	8.88	-32.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020312302	0	44	-1.0	-44.66	367.89	8.12	-36.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C)(F)F)CC1	REAL300020312302	1	44	-1.0	-44.65	367.95	8.14	-36.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020312303	0	57	-1.0	-41.34	456.18	9.18	-32.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020312303	1	57	-1.0	-41.36	456.24	9.19	-32.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020312304	0	54	-1.0	-43.77	430.78	8.43	-35.34
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C[C@H]1C[C@@H](OC(C)(C)C)C1	REAL300020312304	1	54	-1.0	-43.75	430.84	8.46	-35.29
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020312305	0	46	-1.0	-44.96	388.57	5.73	-39.23
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020312305	1	46	-1.0	-44.95	388.63	5.75	-39.20
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020312306	0	43	-1.0	-48.29	365.87	4.99	-43.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=CC(F)=C2C1	REAL300020312306	1	43	-1.0	-48.28	365.81	4.97	-43.31
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020312307	0	45	-1.0	-40.87	367.13	8.75	-32.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020312307	1	45	-1.0	-40.86	367.18	8.77	-32.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020312308	0	42	-1.0	-44.04	358.83	8.13	-35.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020312308	1	42	-1.0	-44.01	358.78	8.11	-35.90
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020312309	0	49	-1.0	-41.84	398.26	10.76	-31.08
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC2(CC2)C1	REAL300020312309	1	49	-1.0	-41.83	398.28	10.75	-31.08
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020312310	0	48	-1.0	-40.72	392.09	6.96	-33.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020312310	1	48	-1.0	-40.73	392.15	6.97	-33.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020312311	0	45	-1.0	-42.39	374.27	6.30	-36.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020312311	1	45	-1.0	-42.40	374.33	6.33	-36.07
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020312312	0	52	-1.0	-42.56	419.18	9.25	-33.31
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](C)[C@H](OC)C1	REAL300020312312	1	52	-1.0	-42.57	419.23	9.24	-33.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020312313	0	46	-1.0	-48.58	397.82	8.37	-40.21
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C#N)CC1	REAL300020312313	1	46	-1.0	-48.65	397.88	8.38	-40.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020312315	0	51	-1.0	-39.59	389.33	9.51	-30.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020312315	1	51	-1.0	-39.59	389.38	9.53	-30.06
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020312316	0	48	-1.0	-42.55	365.45	8.87	-33.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCC(C2)C1	REAL300020312316	1	48	-1.0	-42.56	365.51	8.90	-33.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020312317	0	44	-1.0	-42.99	372.86	7.42	-35.57
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020312317	1	44	-1.0	-42.97	372.92	7.43	-35.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020312318	0	41	-1.0	-48.86	344.56	6.79	-42.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020312318	1	41	-1.0	-48.87	344.51	6.76	-42.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020312319	0	44	-1.0	-42.99	372.86	7.42	-35.57
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020312319	1	44	-1.0	-42.97	372.92	7.43	-35.54
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020312320	0	41	-1.0	-48.86	344.56	6.79	-42.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC=C2)C1	REAL300020312320	1	41	-1.0	-48.87	344.51	6.76	-42.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1C	REAL300020312321	0	50	-1.0	-44.53	409.87	6.31	-38.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(O)=C(OC)C=C2C1C	REAL300020312321	1	50	-1.0	-44.51	409.81	6.29	-38.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020312322	0	46	-1.0	-42.05	377.79	4.40	-37.65
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020312322	1	46	-1.0	-42.11	377.85	4.41	-37.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020312323	0	43	-1.0	-43.26	350.89	3.65	-39.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]2C(=O)NC[C@@H]21	REAL300020312323	1	43	-1.0	-43.24	350.81	3.63	-39.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020312324	0	41	-1.0	-39.14	351.45	6.58	-32.56
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020312324	1	41	-1.0	-39.13	351.51	6.60	-32.53
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(F)(F)CC1C	REAL300020312325	0	38	-1.0	-41.22	329.70	6.71	-34.51
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(F)(F)CC1C	REAL300020312325	1	38	-1.0	-41.27	329.76	6.73	-34.54
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(F)(F)CC1C	REAL300020312326	0	45	-1.0	-41.32	380.17	9.72	-31.60
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(F)(F)CC1C	REAL300020312326	1	45	-1.0	-41.31	380.20	9.70	-31.61
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020312327	0	47	-1.0	-42.29	395.32	8.48	-33.81
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020312327	1	47	-1.0	-42.35	395.37	8.49	-33.86
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020312328	0	44	-1.0	-44.68	373.38	7.88	-36.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=NO2)CC1	REAL300020312328	1	44	-1.0	-44.64	373.43	7.89	-36.75
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020312329	0	52	-1.0	-41.43	426.60	7.40	-34.03
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020312329	1	52	-1.0	-41.47	426.66	7.42	-34.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020312330	0	49	-1.0	-43.47	405.16	7.16	-36.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC1C1=CC=C(O)C=C1	REAL300020312330	1	49	-1.0	-43.47	405.09	7.12	-36.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020312331	0	48	-1.0	-51.71	381.70	4.62	-47.09
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC12CCCS(=O)(=O)C2	REAL300020312331	1	48	-1.0	-51.70	381.75	4.65	-47.05
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020312332	0	46	-1.0	-42.62	407.07	9.71	-32.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020312332	1	46	-1.0	-42.61	407.12	9.73	-32.88
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020312333	0	43	-1.0	-43.39	381.52	9.04	-34.35
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C([N+](=O)[O-])C=C1	REAL300020312333	1	43	-1.0	-43.39	381.47	9.02	-34.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020312334	0	52	-1.0	-41.74	418.20	6.48	-35.26
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020312334	1	52	-1.0	-41.73	418.26	6.50	-35.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020312335	0	49	-1.0	-44.15	396.81	5.69	-38.46
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C)(CCOC)C1	REAL300020312335	1	49	-1.0	-44.15	396.86	5.71	-38.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC	REAL300020312336	0	50	-1.0	-40.96	397.13	8.45	-32.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC	REAL300020312336	1	50	-1.0	-40.96	397.19	8.46	-32.50
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1CCCC	REAL300020312337	0	47	-1.0	-43.04	380.28	7.87	-35.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1CCCC	REAL300020312337	1	47	-1.0	-43.06	380.22	7.85	-35.21
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCCC1CCCC	REAL300020312338	0	54	-1.0	-41.72	429.56	10.63	-31.09
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCCC1CCCC	REAL300020312338	1	54	-1.0	-41.73	429.60	10.62	-31.11
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020312339	0	52	-1.0	-45.25	419.11	7.78	-37.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020312339	1	52	-1.0	-45.21	419.17	7.80	-37.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020312340	0	49	-1.0	-45.49	401.40	6.89	-38.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CC(=O)N(C)C2)C1	REAL300020312340	1	49	-1.0	-45.49	401.46	6.92	-38.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020312341	0	46	-1.0	-41.05	363.41	9.21	-31.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020312341	1	46	-1.0	-41.08	363.47	9.22	-31.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC3CC2C1C3	REAL300020312342	0	43	-1.0	-43.29	346.83	8.47	-34.82
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC3CC2C1C3	REAL300020312342	1	43	-1.0	-43.29	346.77	8.44	-34.85
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020312343	0	50	-1.0	-42.03	391.67	11.16	-30.87
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC3CC2C1C3	REAL300020312343	1	50	-1.0	-42.03	391.70	11.15	-30.88
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020312344	0	51	-1.0	-41.66	431.60	9.44	-32.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020312344	1	51	-1.0	-41.72	431.66	9.45	-32.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020312345	0	48	-1.0	-42.26	406.20	8.90	-33.36
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCOC1=CC=C(C)C=C1	REAL300020312345	1	48	-1.0	-42.30	406.26	8.93	-33.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020312346	0	52	-1.0	-40.81	427.16	11.49	-29.32
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020312346	1	52	-1.0	-40.82	427.22	11.50	-29.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020312347	0	49	-1.0	-42.97	411.33	10.90	-32.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC2(C2=CC=C(C)C=C2)C1	REAL300020312347	1	49	-1.0	-42.97	411.39	10.93	-32.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020312348	0	53	-1.0	-47.28	435.64	9.33	-37.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020312348	1	53	-1.0	-47.31	435.69	9.34	-37.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020312349	0	50	-1.0	-49.72	417.33	8.46	-41.26
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C3CC3)=NO2)CC1	REAL300020312349	1	50	-1.0	-49.71	417.38	8.49	-41.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020312350	0	46	-1.0	-47.90	391.52	3.25	-44.65
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020312350	1	46	-1.0	-47.95	391.58	3.26	-44.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020312351	0	43	-1.0	-51.85	369.07	2.74	-49.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C1=NN=C(C)O1	REAL300020312351	1	43	-1.0	-52.10	368.55	2.71	-49.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020312352	0	46	-1.0	-44.92	376.30	10.39	-34.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020312352	1	46	-1.0	-44.93	376.36	10.40	-34.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020312353	0	43	-1.0	-48.27	354.44	9.79	-38.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(OC)=CC=C21	REAL300020312353	1	43	-1.0	-48.25	354.40	9.77	-38.48
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020312354	0	47	-1.0	-44.61	391.12	8.12	-36.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020312354	1	47	-1.0	-44.64	391.18	8.14	-36.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020312355	0	44	-1.0	-47.61	369.63	7.34	-40.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H](CC(=O)OC)C1	REAL300020312355	1	44	-1.0	-47.62	369.69	7.36	-40.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020312356	0	41	-1.0	-39.73	347.53	7.23	-32.50
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020312356	1	41	-1.0	-39.74	347.59	7.25	-32.49
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020312357	0	38	-1.0	-41.94	323.61	6.71	-35.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020312357	1	38	-1.0	-41.98	323.67	6.72	-35.26
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020312358	0	45	-1.0	-41.37	375.17	9.17	-32.20
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(C)C(F)(F)C1	REAL300020312358	1	45	-1.0	-41.37	375.20	9.17	-32.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020312359	0	50	-1.0	-41.33	396.59	8.53	-32.80
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020312359	1	50	-1.0	-41.27	396.65	8.55	-32.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020312360	0	47	-1.0	-43.44	378.84	7.89	-35.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)CC1	REAL300020312360	1	47	-1.0	-43.44	378.90	7.91	-35.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020312361	0	52	-1.0	-41.23	393.96	8.75	-32.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020312361	1	52	-1.0	-41.25	394.02	8.77	-32.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020312362	0	49	-1.0	-47.18	380.08	7.42	-39.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(CCCO2)CC1	REAL300020312362	1	49	-1.0	-47.17	380.14	7.44	-39.73
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020312363	0	45	-1.0	-46.83	395.06	7.55	-39.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020312363	1	45	-1.0	-46.85	395.12	7.56	-39.29
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020312364	0	42	-1.0	-47.49	373.57	6.76	-40.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(C(=O)OC)=CO2	REAL300020312364	1	42	-1.0	-47.47	373.63	6.79	-40.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020312365	0	57	-1.0	-40.27	431.79	11.13	-29.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020312365	1	57	-1.0	-40.28	431.85	11.14	-29.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020312366	0	54	-1.0	-44.59	400.67	12.16	-32.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1CCCCC12CCC2	REAL300020312366	1	54	-1.0	-44.57	400.73	12.19	-32.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020312367	0	51	-1.0	-45.54	426.75	5.59	-39.95
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020312367	1	51	-1.0	-45.54	426.81	5.60	-39.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020312368	0	48	-1.0	-47.36	404.82	4.98	-42.38
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300020312368	1	48	-1.0	-47.38	404.87	5.00	-42.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020312369	0	46	-1.0	-49.62	373.42	5.53	-44.09
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020312369	1	46	-1.0	-49.61	373.48	5.55	-44.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020312370	0	43	-1.0	-52.02	355.39	5.32	-46.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCC2C1	REAL300020312370	1	43	-1.0	-52.05	355.33	5.29	-46.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C1CC(=C)C1	REAL300020312371	0	42	-1.0	-41.05	340.80	7.69	-33.36
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C1CC(=C)C1	REAL300020312371	1	42	-1.0	-41.08	340.86	7.70	-33.38
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C1CC(=C)C1	REAL300020312372	0	46	-1.0	-42.12	376.09	9.82	-32.30
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C1CC(=C)C1	REAL300020312372	1	46	-1.0	-42.06	376.11	9.82	-32.24
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020312373	0	46	-1.0	-48.22	388.89	3.12	-45.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020312373	1	46	-1.0	-48.26	388.94	3.14	-45.12
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020312374	0	43	-1.0	-52.40	354.90	2.02	-50.38
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C1=NN=C(C)O1	REAL300020312374	1	43	-1.0	-52.48	354.84	2.02	-50.46
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020312375	0	45	-1.0	-42.09	379.24	6.46	-35.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020312375	1	45	-1.0	-42.14	379.30	6.47	-35.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020312376	0	42	-1.0	-43.39	356.71	5.97	-37.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020312376	1	42	-1.0	-43.38	356.66	5.94	-37.44
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020312377	0	49	-1.0	-43.42	401.10	8.55	-34.87
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](OCC)C1	REAL300020312377	1	49	-1.0	-43.46	401.12	8.54	-34.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020312378	0	47	-1.0	-41.79	384.83	5.26	-36.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020312378	1	47	-1.0	-41.81	384.89	5.27	-36.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020312379	0	44	-1.0	-44.81	358.02	4.60	-40.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](OC)[C@@H]2COC[C@@H]21	REAL300020312379	1	44	-1.0	-44.83	358.07	4.62	-40.21
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020312380	0	52	-1.0	-44.99	428.42	7.38	-37.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020312380	1	52	-1.0	-44.92	428.48	7.40	-37.52
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020312381	0	49	-1.0	-48.76	406.75	6.78	-41.98
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)NC2CC2)CC1	REAL300020312381	1	49	-1.0	-48.77	406.80	6.80	-41.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020312382	0	53	-1.0	-43.14	425.04	4.35	-38.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020312382	1	53	-1.0	-43.12	425.09	4.36	-38.76
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020312383	0	50	-1.0	-45.08	408.62	3.46	-41.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)NC(=O)C(C)(C)O2	REAL300020312383	1	50	-1.0	-45.11	408.68	3.49	-41.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1C	REAL300020312384	0	48	-1.0	-44.02	407.82	9.15	-34.87
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1C	REAL300020312384	1	48	-1.0	-44.00	407.88	9.18	-34.82
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020312385	0	49	-1.0	-46.32	416.07	7.28	-39.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020312385	1	49	-1.0	-46.32	416.13	7.31	-39.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020312386	0	48	-1.0	-51.33	390.47	4.77	-46.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020312386	1	48	-1.0	-51.34	390.54	4.78	-46.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=CC(C)=CC=C1Cl	REAL300020312387	0	48	-1.0	-44.54	411.68	11.20	-33.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=CC(C)=CC=C1Cl	REAL300020312387	1	48	-1.0	-44.57	411.62	11.17	-33.40
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020312388	0	46	-1.0	-41.84	398.45	6.75	-35.09
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020312388	1	46	-1.0	-41.86	398.50	6.76	-35.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020312389	0	43	-1.0	-48.37	363.83	5.05	-43.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC(F)=C(O)C=C2C1	REAL300020312389	1	43	-1.0	-48.36	363.77	5.05	-43.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020312390	0	49	-1.0	-48.78	408.58	7.36	-41.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020312390	1	49	-1.0	-48.83	408.64	7.39	-41.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020312391	0	47	-1.0	-39.43	389.05	8.68	-30.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020312391	1	47	-1.0	-39.43	389.11	8.69	-30.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020312392	0	44	-1.0	-40.78	371.17	7.78	-33.00
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(C(F)(F)F)CC1	REAL300020312392	1	44	-1.0	-40.75	371.22	7.80	-32.95
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C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020312393	1	52	-1.0	-42.82	417.58	8.58	-34.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020312394	0	49	-1.0	-54.71	403.50	8.17	-46.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCC21C1=CN(C)N=C1	REAL300020312394	1	49	-1.0	-54.69	403.44	8.15	-46.54
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020312395	0	51	-1.0	-40.64	413.86	9.24	-31.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020312395	1	51	-1.0	-40.63	413.91	9.26	-31.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020312396	0	48	-1.0	-42.70	392.33	8.69	-34.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CSC)CC1	REAL300020312396	1	48	-1.0	-42.69	392.39	8.71	-33.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020312397	0	50	-1.0	-54.60	407.90	5.33	-49.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)(CS(C)(=O)=O)CC1	REAL300020312397	1	50	-1.0	-54.63	407.96	5.35	-49.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020312398	0	50	-1.0	-51.13	409.50	5.73	-45.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020312398	1	50	-1.0	-51.11	409.56	5.75	-45.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020312399	0	47	-1.0	-53.93	381.82	5.20	-48.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1(S(C)(=O)=O)CC1	REAL300020312399	1	47	-1.0	-53.93	381.87	5.21	-48.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020312400	0	48	-1.0	-39.55	411.81	7.58	-31.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020312400	1	48	-1.0	-39.59	411.87	7.60	-31.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020312401	0	45	-1.0	-41.45	394.03	6.93	-34.52
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(F)(F)F)C1	REAL300020312401	1	45	-1.0	-41.47	394.08	6.95	-34.52
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020312402	0	48	-1.0	-43.50	403.26	10.22	-33.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020312402	1	48	-1.0	-43.51	403.32	10.24	-33.27
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020312403	0	45	-1.0	-45.58	383.58	9.41	-36.17
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020312403	1	45	-1.0	-45.57	383.64	9.43	-36.14
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020312404	0	47	-1.0	-41.97	374.42	9.36	-32.61
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020312404	1	47	-1.0	-42.02	374.48	9.38	-32.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020312405	0	44	-1.0	-44.03	360.25	8.27	-35.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(F)CC(C)C1	REAL300020312405	1	44	-1.0	-44.07	360.31	8.30	-35.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020312406	0	50	-1.0	-42.07	411.87	8.56	-33.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020312406	1	50	-1.0	-42.03	411.92	8.57	-33.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020312407	0	47	-1.0	-43.32	394.11	7.90	-35.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OC)C1	REAL300020312407	1	47	-1.0	-43.30	394.17	7.93	-35.37
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020312408	0	50	-1.0	-41.99	411.89	8.56	-33.43
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020312408	1	50	-1.0	-42.01	411.95	8.58	-33.43
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020312409	0	47	-1.0	-44.93	389.89	7.99	-36.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](CC(=O)OC)C1	REAL300020312409	1	47	-1.0	-44.92	389.95	8.01	-36.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020312410	0	50	-1.0	-42.06	411.39	8.78	-33.28
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020312410	1	50	-1.0	-42.09	411.45	8.79	-33.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020312411	0	47	-1.0	-44.62	389.50	8.17	-36.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](CC(=O)OC)C1	REAL300020312411	1	47	-1.0	-44.62	389.55	8.18	-36.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020312412	0	47	-1.0	-46.36	401.11	8.46	-37.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020312412	1	47	-1.0	-46.39	401.16	8.48	-37.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020312413	0	44	-1.0	-50.48	373.37	7.78	-42.70
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(C)=NO2)C1	REAL300020312413	1	44	-1.0	-50.49	373.42	7.80	-42.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020312414	0	51	-1.0	-46.56	426.24	8.04	-38.52
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020312414	1	51	-1.0	-46.61	426.30	8.06	-38.55
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020312415	0	48	-1.0	-48.17	413.34	7.21	-40.96
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC1=CC=C(NC(C)=O)C=C1	REAL300020312415	1	48	-1.0	-48.13	413.40	7.22	-40.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020312416	0	48	-1.0	-41.01	388.34	6.26	-34.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020312416	1	48	-1.0	-40.98	388.40	6.27	-34.71
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)C(C)C1CCCO1	REAL300020312417	0	45	-1.0	-46.46	356.53	6.52	-39.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)C(C)C1CCCO1	REAL300020312417	1	45	-1.0	-46.50	356.58	6.53	-39.97
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(C)C(C)C1CCCO1	REAL300020312418	0	52	-1.0	-41.73	400.24	9.29	-32.44
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(C)C(C)C1CCCO1	REAL300020312418	1	52	-1.0	-41.67	400.26	9.28	-32.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020312419	0	51	-1.0	-46.24	433.26	8.82	-37.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020312419	1	51	-1.0	-46.23	433.32	8.83	-37.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020312420	0	48	-1.0	-48.24	411.73	8.03	-40.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(C#N)C(=O)OC)CC1	REAL300020312420	1	48	-1.0	-48.25	411.79	8.05	-40.20
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020312421	0	57	-1.0	-40.69	433.69	6.06	-34.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020312421	1	57	-1.0	-40.74	433.75	6.07	-34.67
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020312421	1	58	0.0	-64.31	441.00	8.83	-55.48
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020312422	0	54	-1.0	-42.88	412.87	5.43	-37.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H](N2CCOCC2)C1	REAL300020312422	1	54	-1.0	-42.91	412.93	5.44	-37.47
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020312422	1	55	0.0	-58.43	407.83	8.02	-50.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020312423	0	53	-1.0	-42.76	435.63	8.31	-34.45
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[NH+](CC2=CC=C(C)C=C2)CC1	REAL300020312423	1	54	0.0	-67.01	434.15	10.77	-56.24
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(CC2=CC=C(C)C=C2)CC1	REAL300020312423	1	53	-1.0	-42.76	435.68	8.34	-34.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020312424	0	54	-1.0	-39.96	422.91	11.09	-28.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020312424	1	54	-1.0	-40.00	422.97	11.10	-28.90
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020312425	0	51	-1.0	-42.32	401.46	10.32	-32.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCCC2=CC=CC=C2C1	REAL300020312425	1	51	-1.0	-42.29	401.40	10.30	-31.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H]1C	REAL300020312426	0	41	-1.0	-41.35	336.14	7.19	-34.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H]1C	REAL300020312426	1	41	-1.0	-41.39	336.19	7.21	-34.18
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020312427	0	45	-1.0	-41.44	366.52	8.41	-33.03
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H]1C	REAL300020312427	1	45	-1.0	-41.38	366.56	8.40	-32.98
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020312428	0	45	-1.0	-40.15	375.75	6.31	-33.84
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020312428	1	45	-1.0	-40.17	375.81	6.33	-33.84
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020312429	0	42	-1.0	-41.61	352.72	5.83	-35.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020312429	1	42	-1.0	-41.65	352.78	5.85	-35.80
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020312430	0	49	-1.0	-42.33	403.90	8.59	-33.74
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC[C@@H](F)[C@H](OC)C1	REAL300020312430	1	49	-1.0	-42.26	403.93	8.58	-33.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020312431	0	49	-1.0	-40.77	388.89	8.66	-32.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020312431	1	49	-1.0	-40.74	388.95	8.67	-32.07
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020312432	0	46	-1.0	-43.39	363.86	8.09	-35.30
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@]2(C)CSC[C@]2(C)C1	REAL300020312432	1	46	-1.0	-43.43	363.92	8.10	-35.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020312433	0	45	-1.0	-50.39	369.65	4.49	-45.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020312433	1	45	-1.0	-50.35	369.70	4.51	-45.84
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020312434	0	42	-1.0	-53.19	348.21	3.73	-49.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020312434	1	42	-1.0	-53.18	348.16	3.71	-49.47
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020312435	0	49	-1.0	-50.37	406.48	7.26	-43.11
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C(=O)NC	REAL300020312435	1	49	-1.0	-50.30	406.50	7.25	-43.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020312436	0	47	-1.0	-49.19	408.97	7.30	-41.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCN(C2=CC=CC(C#N)=N2)CC1	REAL300020312436	1	47	-1.0	-49.18	408.93	7.27	-41.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020312437	0	43	-1.0	-46.04	360.55	2.53	-43.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020312437	1	43	-1.0	-46.05	360.60	2.55	-43.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020312438	0	40	-1.0	-46.76	339.06	1.75	-45.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCNS(=O)(=O)CC1	REAL300020312438	1	40	-1.0	-46.80	339.11	1.77	-45.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020312439	0	45	-1.0	-40.64	374.39	8.92	-31.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020312439	1	45	-1.0	-40.65	374.45	8.93	-31.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020312440	0	42	-1.0	-43.11	352.95	8.33	-34.78
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2C(CC1)C2(F)F	REAL300020312440	1	42	-1.0	-43.11	353.00	8.34	-34.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@@H+](C)C(C)C)CC1	REAL300020312441	0	56	0.0	-64.92	427.61	9.41	-55.51
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020312441	1	56	0.0	-65.42	423.29	9.43	-55.99
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC([N@H+](C)C(C)C)CC1	REAL300020312441	1	56	0.0	-65.44	423.35	9.44	-56.00
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C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020312453	1	48	-1.0	-45.36	393.05	6.25	-39.11
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020312454	0	45	-1.0	-45.09	338.22	1.03	-44.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNC(=O)C(F)(F)C1	REAL300020312454	1	45	-1.0	-45.11	338.28	1.05	-44.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020312455	0	42	-1.0	-39.59	356.90	6.72	-32.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020312455	1	42	-1.0	-39.59	356.96	6.73	-32.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCSC[C@@H]1C	REAL300020312456	0	39	-1.0	-41.44	336.02	6.02	-35.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCSC[C@@H]1C	REAL300020312456	1	39	-1.0	-41.42	335.98	6.00	-35.42
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCSC[C@@H]1C	REAL300020312457	0	46	-1.0	-41.09	384.81	8.65	-32.44
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCSC[C@@H]1C	REAL300020312457	1	46	-1.0	-41.02	384.88	8.64	-32.38
C#CCCN(C)C1=NN=C(C2=CC=C(C3=N[N-]N=N3)C=C2)N1CCC#C	REAL300020312458	0	43	-1.0	-42.59	375.23	9.41	-33.18
C#CCCN(C)C1=NN=C(C2=CC=C(C3=NN=N[N-]3)C=C2)N1CCC#C	REAL300020312458	1	43	-1.0	-42.52	375.32	9.40	-33.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020312459	0	42	-1.0	-46.08	338.19	6.45	-39.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020312459	1	42	-1.0	-46.05	338.25	6.47	-39.58
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020312460	0	39	-1.0	-48.49	320.68	6.01	-42.48
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020312460	1	39	-1.0	-48.51	320.73	6.02	-42.49
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020312461	0	46	-1.0	-46.85	374.57	8.72	-38.13
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC1C(F)(F)C2	REAL300020312461	1	46	-1.0	-46.87	374.61	8.71	-38.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020312462	0	51	-1.0	-39.84	400.60	9.91	-29.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020312462	1	51	-1.0	-39.84	400.65	9.93	-29.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020312463	0	48	-1.0	-41.23	379.11	9.12	-32.11
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CC12CCC(CC1)C2	REAL300020312463	1	48	-1.0	-41.24	379.17	9.15	-32.09
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NC(CC)=CS2)CC1	REAL300020312464	0	50	-1.0	-43.50	429.31	8.64	-34.86
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NC(CC)=CS2)CC1	REAL300020312464	1	50	-1.0	-43.56	429.37	8.66	-34.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020312465	0	47	-1.0	-43.70	388.82	8.63	-35.07
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020312465	1	47	-1.0	-43.68	388.88	8.65	-35.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020312466	0	44	-1.0	-45.38	371.03	7.99	-37.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(C)(F)F)C1	REAL300020312466	1	44	-1.0	-45.43	371.09	8.01	-37.42
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020312467	0	50	-1.0	-41.48	410.62	9.61	-31.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020312467	1	50	-1.0	-41.43	410.68	9.63	-31.80
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCCF)CC1	REAL300020312468	0	47	-1.0	-44.06	389.11	8.83	-35.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCCF)CC1	REAL300020312468	1	47	-1.0	-44.08	389.17	8.85	-35.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020312469	0	50	-1.0	-41.49	422.16	9.86	-31.63
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020312469	1	50	-1.0	-41.49	422.22	9.87	-31.62
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020312470	0	47	-1.0	-43.60	400.66	9.07	-34.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(F)(F)F)CC1	REAL300020312470	1	47	-1.0	-43.63	400.71	9.10	-34.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020312471	0	47	-1.0	-40.45	394.23	9.24	-31.21
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020312471	1	47	-1.0	-40.43	394.28	9.26	-31.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020312472	0	44	-1.0	-43.96	369.70	8.36	-35.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C)(C(F)(F)F)C1	REAL300020312472	1	44	-1.0	-44.01	369.76	8.38	-35.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020312473	0	55	-1.0	-40.15	429.85	8.93	-31.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020312473	1	55	-1.0	-40.08	429.90	8.95	-31.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020312474	0	52	-1.0	-41.99	412.08	8.27	-33.72
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOC(C2CCCCC2)C1	REAL300020312474	1	52	-1.0	-41.99	412.13	8.30	-33.69
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020312475	0	45	-1.0	-45.61	375.59	4.21	-41.40
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020312475	1	45	-1.0	-45.64	375.65	4.22	-41.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020312476	0	42	-1.0	-49.09	354.60	3.45	-45.64
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020312476	1	42	-1.0	-49.08	354.54	3.43	-45.65
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020312477	0	49	-1.0	-47.99	395.44	6.13	-41.86
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(C(N)=O)CC1	REAL300020312477	1	49	-1.0	-48.04	395.47	6.13	-41.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020312478	0	50	-1.0	-47.11	416.41	5.03	-42.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020312478	1	50	-1.0	-47.05	416.47	5.05	-42.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020312479	0	47	-1.0	-49.44	394.48	4.43	-45.01
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(N2CC(=O)NC2=O)CC1	REAL300020312479	1	47	-1.0	-49.45	394.54	4.45	-45.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020312480	0	47	-1.0	-41.54	376.25	9.15	-32.39
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020312480	1	47	-1.0	-41.54	376.31	9.17	-32.37
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020312481	0	44	-1.0	-42.44	354.08	8.62	-33.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(C(F)(F)F)CC1	REAL300020312481	1	44	-1.0	-42.41	354.14	8.64	-33.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020312482	0	45	-1.0	-44.84	375.23	4.86	-39.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020312482	1	45	-1.0	-44.84	375.28	4.87	-39.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(CO)CC1	REAL300020312483	0	42	-1.0	-46.61	357.94	3.99	-42.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(CO)CC1	REAL300020312483	1	42	-1.0	-46.61	358.00	4.02	-42.59
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC(F)(CO)CC1	REAL300020312484	0	49	-1.0	-45.92	405.70	6.96	-38.96
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC(F)(CO)CC1	REAL300020312484	1	49	-1.0	-45.90	405.73	6.95	-38.95
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020312485	0	48	-1.0	-44.55	403.79	8.68	-35.87
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020312485	1	48	-1.0	-44.51	403.85	8.70	-35.81
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020312486	0	45	-1.0	-48.31	378.56	7.42	-40.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC=C(C(=O)OCC)C1	REAL300020312486	1	45	-1.0	-48.32	378.50	7.41	-40.91
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020312487	0	48	-1.0	-42.37	400.16	9.96	-32.41
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020312487	1	48	-1.0	-42.37	400.22	9.98	-32.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020312488	0	45	-1.0	-44.13	376.26	9.45	-34.68
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C)C=CC(F)=C2C1	REAL300020312488	1	45	-1.0	-44.08	376.20	9.42	-34.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020312489	0	45	-1.0	-41.72	371.62	6.51	-35.21
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020312489	1	45	-1.0	-41.73	371.68	6.52	-35.21
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020312490	0	42	-1.0	-45.24	349.96	5.92	-39.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020312490	1	42	-1.0	-45.25	349.91	5.90	-39.35
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020312491	0	49	-1.0	-42.79	399.98	8.45	-34.34
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H](OC)C1	REAL300020312491	1	49	-1.0	-42.78	400.07	8.43	-34.35
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020312492	0	45	-1.0	-46.10	380.57	7.02	-39.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020312492	1	45	-1.0	-46.11	380.62	7.03	-39.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020312493	0	42	-1.0	-42.92	367.88	7.15	-35.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=C(C(=O)OC)CC1	REAL300020312493	1	42	-1.0	-42.88	367.82	7.12	-35.76
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](CC)C1	REAL300020312494	0	45	-1.0	-40.38	356.27	5.96	-34.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](CC)C1	REAL300020312494	1	45	-1.0	-40.37	356.33	5.98	-34.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](CC)C1	REAL300020312495	0	42	-1.0	-43.13	350.11	6.08	-37.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](CC)C1	REAL300020312495	1	42	-1.0	-43.10	350.04	6.08	-37.02
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C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@H](CC)C1	REAL300020312496	1	49	-1.0	-41.60	388.46	8.02	-33.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC)C1	REAL300020312497	0	45	-1.0	-41.19	375.96	6.42	-34.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC)C1	REAL300020312497	1	45	-1.0	-41.21	376.02	6.44	-34.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H](OC)C1	REAL300020312498	0	42	-1.0	-44.54	345.50	5.79	-38.75
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H](OC)C1	REAL300020312498	1	42	-1.0	-44.55	345.43	5.77	-38.78
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@H](OC)C1	REAL300020312499	0	49	-1.0	-43.01	399.69	8.59	-34.42
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@H](OC)C1	REAL300020312499	1	49	-1.0	-42.99	399.72	8.58	-34.41
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020312500	0	46	-1.0	-41.68	369.10	4.38	-37.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020312500	1	46	-1.0	-41.68	369.15	4.40	-37.28
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020312501	0	43	-1.0	-43.01	352.62	3.76	-39.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020312501	1	43	-1.0	-43.02	352.67	3.78	-39.24
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020312502	0	50	-1.0	-43.14	401.37	6.46	-36.68
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@@H](COC)C1	REAL300020312502	1	50	-1.0	-43.08	401.40	6.45	-36.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020312503	0	50	-1.0	-42.43	418.42	9.70	-32.73
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020312503	1	50	-1.0	-42.46	418.48	9.72	-32.74
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020312504	0	47	-1.0	-45.63	386.00	8.57	-37.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CCC(F)(F)F)C1	REAL300020312504	1	47	-1.0	-45.64	386.07	8.59	-37.05
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCO[C@H](COC)C1	REAL300020312505	0	46	-1.0	-41.51	374.15	4.54	-36.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCO[C@H](COC)C1	REAL300020312505	1	46	-1.0	-41.51	374.20	4.55	-36.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCO[C@H](COC)C1	REAL300020312506	0	43	-1.0	-42.51	366.87	4.44	-38.07
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCO[C@H](COC)C1	REAL300020312506	1	43	-1.0	-42.57	366.93	4.47	-38.10
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCO[C@H](COC)C1	REAL300020312507	0	50	-1.0	-42.74	412.77	7.05	-35.69
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCO[C@H](COC)C1	REAL300020312507	1	50	-1.0	-42.70	412.81	7.04	-35.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020312508	0	47	-1.0	-40.89	390.24	7.40	-33.49
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020312508	1	47	-1.0	-40.91	390.30	7.42	-33.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020312509	0	44	-1.0	-43.43	368.79	6.64	-36.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC2(C=CCO2)C1	REAL300020312509	1	44	-1.0	-43.41	368.73	6.62	-36.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC1C1=C(F)C=CC(C)=C1F	REAL300020312510	0	48	-1.0	-46.62	406.09	10.80	-35.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC1C1=C(F)C=CC(C)=C1F	REAL300020312510	1	48	-1.0	-46.60	406.14	10.82	-35.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CC1(C)C	REAL300020312511	0	42	-1.0	-40.64	344.71	6.85	-33.79
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CC1(C)C	REAL300020312511	1	42	-1.0	-40.63	344.77	6.86	-33.77
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020312512	0	46	-1.0	-41.55	375.95	8.86	-32.69
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CC1(C)C	REAL300020312512	1	46	-1.0	-41.52	376.01	8.85	-32.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020312513	0	47	-1.0	-45.15	391.12	4.19	-40.96
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020312513	1	47	-1.0	-45.14	391.18	4.20	-40.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020312514	0	44	-1.0	-50.74	359.32	3.49	-47.25
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2C	REAL300020312514	1	44	-1.0	-50.73	359.37	3.50	-47.23
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020312515	0	53	-1.0	-46.36	431.16	4.14	-42.22
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020312515	1	53	-1.0	-46.38	431.22	4.16	-42.22
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020312516	0	50	-1.0	-49.26	409.07	3.55	-45.71
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C(N)=O)CO2)CC1	REAL300020312516	1	50	-1.0	-49.23	409.13	3.58	-45.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020312517	0	55	-1.0	-42.49	421.40	7.58	-34.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020312517	1	55	-1.0	-42.47	421.46	7.59	-34.88
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020312518	0	52	-1.0	-45.39	399.59	6.96	-38.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1CCOCC1)C1CCC1	REAL300020312518	1	52	-1.0	-45.38	399.65	6.98	-38.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C)C[C@H](C2=NNC(=O)N2C)C1	REAL300020312519	0	51	-1.0	-48.09	423.63	7.14	-40.95
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C)C[C@H](C2=NNC(=O)N2C)C1	REAL300020312519	1	51	-1.0	-48.07	423.68	7.17	-40.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020312520	0	44	-1.0	-49.96	366.37	3.66	-46.30
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020312520	1	44	-1.0	-50.01	366.43	3.67	-46.34
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020312521	0	41	-1.0	-52.23	348.63	2.88	-49.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@H]2NC(=O)O[C@H]2C1	REAL300020312521	1	41	-1.0	-52.22	348.69	2.90	-49.32
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OCC)C1	REAL300020312522	0	53	-1.0	-41.70	436.63	9.81	-31.89
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OCC)C1	REAL300020312522	1	53	-1.0	-41.72	436.69	9.82	-31.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(CC(=O)OCC)C1	REAL300020312523	0	50	-1.0	-43.17	415.66	8.82	-34.35
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(CC(=O)OCC)C1	REAL300020312523	1	50	-1.0	-43.15	415.71	8.85	-34.30
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020312524	0	48	-1.0	-42.52	411.68	10.23	-32.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020312524	1	48	-1.0	-42.51	411.74	10.25	-32.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC2C(=O)OCC)CC1	REAL300020312525	0	54	-1.0	-44.03	446.23	10.43	-33.60
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC2C(=O)OCC)CC1	REAL300020312525	1	54	-1.0	-44.04	446.29	10.45	-33.59
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC2C(=O)OCC)CC1	REAL300020312526	0	51	-1.0	-47.64	423.74	9.81	-37.83
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC2C(=O)OCC)CC1	REAL300020312526	1	51	-1.0	-47.64	423.80	9.83	-37.81
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C	REAL300020312527	0	41	-1.0	-41.51	338.46	7.41	-34.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C	REAL300020312527	1	41	-1.0	-41.50	338.52	7.43	-34.07
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020312528	0	45	-1.0	-42.39	366.64	9.35	-33.04
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020312528	1	45	-1.0	-42.31	366.68	9.34	-32.97
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020312529	0	53	-1.0	-44.41	423.34	9.25	-35.16
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020312529	1	53	-1.0	-44.39	423.40	9.26	-35.13
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020312530	0	50	-1.0	-43.86	404.73	8.67	-35.19
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC(C)(C)C)C1	REAL300020312530	1	50	-1.0	-43.87	404.79	8.69	-35.18
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020312531	0	51	-1.0	-43.85	423.34	7.92	-35.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020312531	1	51	-1.0	-43.87	423.40	7.93	-35.94
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020312532	0	48	-1.0	-45.28	405.59	7.26	-38.02
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(C(=O)OC)OC(C)(C)C1	REAL300020312532	1	48	-1.0	-45.32	405.64	7.29	-38.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C(F)F)CC1	REAL300020312533	0	47	-1.0	-46.52	399.35	7.84	-38.68
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C(F)F)CC1	REAL300020312533	1	47	-1.0	-46.52	399.41	7.87	-38.65
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@H]1C	REAL300020312534	0	41	-1.0	-41.51	338.46	7.41	-34.10
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@H]1C	REAL300020312534	1	41	-1.0	-41.50	338.52	7.43	-34.07
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020312535	0	45	-1.0	-42.39	366.64	9.35	-33.04
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC[C@@H]1C	REAL300020312535	1	45	-1.0	-42.31	366.68	9.34	-32.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CCC)CC1=CC(F)=CC=C1F	REAL300020312536	0	47	-1.0	-46.60	396.30	8.56	-38.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CCC)CC1=CC(F)=CC=C1F	REAL300020312536	1	47	-1.0	-46.62	396.36	8.58	-38.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020312537	0	48	-1.0	-39.43	394.01	9.31	-30.12
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020312537	1	48	-1.0	-39.38	394.07	9.33	-30.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020312538	0	45	-1.0	-40.84	367.57	8.55	-32.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2(CCC2)CC(F)(F)C1	REAL300020312538	1	45	-1.0	-40.84	367.65	8.56	-32.28
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020312539	0	50	-1.0	-46.60	419.58	6.92	-39.68
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020312539	1	50	-1.0	-46.63	419.64	6.94	-39.69
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020312540	0	47	-1.0	-49.96	398.62	6.37	-43.59
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(P(C)(C)=O)CC1	REAL300020312540	1	47	-1.0	-49.98	398.68	6.40	-43.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020312541	0	51	-1.0	-45.54	395.67	10.45	-35.09
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020312541	1	51	-1.0	-45.56	395.72	10.46	-35.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020312542	0	48	-1.0	-46.97	379.65	9.82	-37.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(C1)C(C(=O)OC)C2	REAL300020312542	1	48	-1.0	-46.98	379.71	9.85	-37.13
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020312543	0	57	-1.0	-40.74	453.37	9.26	-31.48
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020312543	1	57	-1.0	-40.69	453.42	9.27	-31.42
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020312544	0	54	-1.0	-43.55	431.86	8.47	-35.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COC(C)(C)C)CC1	REAL300020312544	1	54	-1.0	-43.54	431.91	8.50	-35.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020312545	0	57	-1.0	-39.71	449.62	9.12	-30.59
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020312545	1	57	-1.0	-39.76	449.68	9.13	-30.63
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020312546	0	54	-1.0	-41.86	431.84	8.46	-33.40
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(COC(C)(C)C)C1	REAL300020312546	1	54	-1.0	-41.88	431.89	8.49	-33.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020312547	0	50	-1.0	-47.09	419.23	6.90	-40.19
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020312547	1	50	-1.0	-47.09	419.29	6.91	-40.18
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020312548	0	47	-1.0	-49.57	397.72	6.34	-43.23
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCC(P(C)(C)=O)C1	REAL300020312548	1	47	-1.0	-49.59	397.77	6.37	-43.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020312549	0	49	-1.0	-42.36	389.12	7.16	-35.20
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020312549	1	49	-1.0	-42.40	389.17	7.17	-35.23
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020312550	0	46	-1.0	-43.09	373.20	6.54	-36.55
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCCCC2C1	REAL300020312550	1	46	-1.0	-43.09	373.26	6.56	-36.53
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020312551	0	47	-1.0	-42.88	385.33	7.53	-35.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020312551	1	47	-1.0	-42.86	385.39	7.54	-35.32
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020312552	0	44	-1.0	-45.44	367.56	6.88	-38.56
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C=CCO2)CC1	REAL300020312552	1	44	-1.0	-45.46	367.62	6.91	-38.55
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC1CCOCC1	REAL300020312553	0	51	-1.0	-41.21	413.36	7.49	-33.72
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC1CCOCC1	REAL300020312553	1	51	-1.0	-41.22	413.42	7.50	-33.72
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC1CCOCC1	REAL300020312554	0	48	-1.0	-43.23	391.87	6.70	-36.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC1CCOCC1	REAL300020312554	1	48	-1.0	-43.23	391.92	6.73	-36.50
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020312555	0	53	-1.0	-51.51	419.78	5.53	-45.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020312555	1	53	-1.0	-51.53	419.84	5.54	-45.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020312556	0	50	-1.0	-53.49	402.48	4.67	-48.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)OC(=O)NC2(C)C	REAL300020312556	1	50	-1.0	-53.49	402.54	4.70	-48.79
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020312557	0	46	-1.0	-42.75	407.60	7.64	-35.11
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020312557	1	46	-1.0	-42.75	407.66	7.65	-35.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020312558	0	43	-1.0	-44.67	386.11	6.85	-37.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCC1=NC(C)=CS1	REAL300020312558	1	43	-1.0	-44.70	386.17	6.88	-37.82
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020312559	0	49	-1.0	-47.54	394.62	4.64	-42.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020312559	1	49	-1.0	-47.55	394.68	4.65	-42.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020312560	0	46	-1.0	-49.70	376.46	2.90	-46.80
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCNS(=O)(=O)CC1	REAL300020312560	1	46	-1.0	-49.70	376.52	2.92	-46.78
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020312561	0	51	-1.0	-46.91	407.20	8.67	-38.24
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020312561	1	51	-1.0	-46.94	407.26	8.68	-38.26
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020312562	0	48	-1.0	-48.65	390.54	8.03	-40.62
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]2C1	REAL300020312562	1	48	-1.0	-48.64	390.60	8.06	-40.58
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020312563	0	54	-1.0	-42.80	428.65	9.25	-33.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020312563	1	54	-1.0	-42.83	428.71	9.27	-33.56
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020312564	0	51	-1.0	-42.02	416.50	8.60	-33.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)OC)(C2CCC2)C1	REAL300020312564	1	51	-1.0	-42.00	416.56	8.62	-33.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020312565	0	49	-1.0	-42.79	383.05	7.28	-35.51
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020312565	1	49	-1.0	-42.84	383.11	7.30	-35.54
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020312566	0	46	-1.0	-45.63	361.55	6.50	-39.13
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CCCCO2	REAL300020312566	1	46	-1.0	-45.61	361.61	6.52	-39.09
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020312567	0	41	-1.0	-40.48	360.46	7.58	-32.90
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020312567	1	41	-1.0	-40.52	360.52	7.59	-32.93
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020312568	0	38	-1.0	-40.53	341.00	6.93	-33.60
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(F)(C(F)(F)F)C1	REAL300020312568	1	38	-1.0	-40.53	341.05	6.96	-33.57
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020312569	0	49	-1.0	-47.61	395.20	6.46	-41.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020312569	1	49	-1.0	-47.61	395.26	6.47	-41.14
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020312570	0	46	-1.0	-48.02	369.54	5.73	-42.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OC[C@@H](C(=O)OC)[C@H]2C1	REAL300020312570	1	46	-1.0	-48.00	369.60	5.74	-42.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020312571	0	50	-1.0	-45.77	401.37	4.69	-41.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020312571	1	50	-1.0	-45.75	401.43	4.70	-41.05
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020312572	0	47	-1.0	-49.41	378.71	3.99	-45.42
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)OC(=O)NC2(C)C	REAL300020312572	1	47	-1.0	-49.43	378.66	3.99	-45.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020312573	0	53	-1.0	-40.64	410.39	8.27	-32.37
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020312573	1	53	-1.0	-40.65	410.45	8.29	-32.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020312574	0	50	-1.0	-44.02	388.92	7.49	-36.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CCOCC2)C1	REAL300020312574	1	50	-1.0	-43.97	388.98	7.51	-36.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020312575	0	54	-1.0	-45.57	435.57	10.52	-35.05
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020312575	1	54	-1.0	-45.55	435.63	10.55	-35.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C1)C(C(=O)OCC)=NO2	REAL300020312576	0	47	-1.0	-50.01	404.99	7.74	-42.27
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C1)C(C(=O)OCC)=NO2	REAL300020312576	1	47	-1.0	-50.01	405.05	7.75	-42.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020312577	0	55	-1.0	-40.82	411.25	6.35	-34.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020312577	1	55	-1.0	-40.78	411.30	6.37	-34.41
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020312578	0	52	-1.0	-44.06	392.06	5.40	-38.66
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300020312578	1	52	-1.0	-44.07	392.12	5.41	-38.66
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020312579	0	52	-1.0	-40.73	405.64	6.35	-34.38
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020312579	1	52	-1.0	-40.67	405.70	6.36	-34.31
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020312580	0	49	-1.0	-43.31	388.39	5.40	-37.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300020312580	1	49	-1.0	-43.34	388.44	5.43	-37.91
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CCC)C=C1	REAL300020312581	0	44	-1.0	-44.08	379.81	10.16	-33.92
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CCC)C=C1	REAL300020312581	1	44	-1.0	-44.04	379.75	10.15	-33.89
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CCC)C=C1	REAL300020312582	0	41	-1.0	-46.18	358.33	9.39	-36.79
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CCC)C=C1	REAL300020312582	1	41	-1.0	-46.18	358.27	9.35	-36.83
C#CCCN1C(NC2=NN(CCC)C=C2)=NN=C1C1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020312583	0	48	-1.0	-45.42	408.22	12.10	-33.32
C#CCCN1C(NC2=NN(CCC)C=C2)=NN=C1C1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020312583	1	48	-1.0	-45.38	408.18	12.12	-33.26
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020312584	0	49	-1.0	-44.05	404.69	7.58	-36.47
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020312584	1	49	-1.0	-44.10	404.75	7.59	-36.51
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020312585	0	46	-1.0	-48.35	383.75	7.03	-41.32
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C2=NOCC2)CC1	REAL300020312585	1	46	-1.0	-48.38	383.81	7.05	-41.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020312586	0	43	-1.0	-42.57	347.40	7.69	-34.88
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020312586	1	43	-1.0	-42.62	347.45	7.71	-34.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020312587	0	40	-1.0	-45.52	323.97	7.36	-38.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020312587	1	40	-1.0	-45.51	323.91	7.35	-38.16
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020312588	0	47	-1.0	-42.78	376.15	10.14	-32.64
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12	REAL300020312588	1	47	-1.0	-42.80	376.17	10.13	-32.67
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020312589	0	49	-1.0	-42.56	373.88	9.57	-32.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020312589	1	49	-1.0	-42.58	373.94	9.59	-32.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020312590	0	46	-1.0	-42.59	378.49	10.61	-31.98
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=CC=CC=C2C2CC1C2	REAL300020312590	1	46	-1.0	-42.64	378.43	10.58	-32.06
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020312591	0	47	-1.0	-40.16	385.12	7.16	-33.00
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020312591	1	47	-1.0	-40.13	385.18	7.17	-32.96
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020312592	0	44	-1.0	-42.20	358.26	6.51	-35.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(C1)CC=CCO2	REAL300020312592	1	44	-1.0	-42.22	358.32	6.54	-35.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020312593	0	46	-1.0	-40.50	362.17	4.57	-35.93
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020312593	1	46	-1.0	-40.49	362.23	4.58	-35.91
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCOCCOCC1	REAL300020312594	0	43	-1.0	-42.43	340.68	3.78	-38.65
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCOCCOCC1	REAL300020312594	1	43	-1.0	-42.42	340.73	3.81	-38.61
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020312595	0	50	-1.0	-42.41	380.75	6.43	-35.98
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCOCCOCC1	REAL300020312595	1	50	-1.0	-42.38	380.77	6.42	-35.96
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020312596	0	55	-1.0	-40.70	413.16	8.95	-31.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020312596	1	55	-1.0	-40.67	413.22	8.97	-31.70
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020312597	0	52	-1.0	-44.34	386.46	8.20	-36.14
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCCCC2(CCOCC2)C1	REAL300020312597	1	52	-1.0	-44.35	386.51	8.23	-36.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)CCCNC(=O)OCCC	REAL300020312598	0	54	-1.0	-46.13	448.81	6.47	-39.66
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)OCCC	REAL300020312598	1	54	-1.0	-46.15	448.86	6.48	-39.67
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C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCNC(=O)OCCC	REAL300020312599	1	51	-1.0	-46.78	434.66	5.62	-41.16
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020312600	0	46	-1.0	-40.10	377.54	9.33	-30.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020312600	1	46	-1.0	-40.07	377.60	9.34	-30.73
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020312601	0	43	-1.0	-42.27	360.40	8.35	-33.92
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020312601	1	43	-1.0	-42.28	360.33	8.33	-33.95
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020312602	0	50	-1.0	-41.78	408.29	11.44	-30.34
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC=CCC2(CC2)C1	REAL300020312602	1	50	-1.0	-41.75	408.32	11.42	-30.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020312603	0	48	-1.0	-41.31	400.25	10.23	-31.08
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020312603	1	48	-1.0	-41.28	400.30	10.24	-31.04
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020312604	0	45	-1.0	-44.82	378.68	9.61	-35.21
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020312604	1	45	-1.0	-44.86	378.62	9.59	-35.27
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020312605	0	53	-1.0	-40.21	423.64	10.44	-29.77
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020312605	1	53	-1.0	-40.22	423.69	10.45	-29.77
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020312606	0	50	-1.0	-43.30	404.85	9.87	-33.43
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC1=NOC(C2CC2)=C1)C(C)C	REAL300020312606	1	50	-1.0	-43.27	404.90	9.89	-33.38
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020312607	0	48	-1.0	-41.73	380.97	8.98	-32.75
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020312607	1	48	-1.0	-41.76	381.03	8.99	-32.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2CCCCC21	REAL300020312608	0	45	-1.0	-43.77	361.68	8.27	-35.50
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2CCCCC21	REAL300020312608	1	45	-1.0	-43.79	361.62	8.24	-35.55
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020312609	0	52	-1.0	-42.48	411.86	11.01	-31.47
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CCC2CCCCC21	REAL300020312609	1	52	-1.0	-42.44	411.90	11.00	-31.44
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CC(O)CC	REAL300020312610	0	47	-1.0	-41.13	377.01	4.71	-36.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CC(O)CC	REAL300020312610	1	47	-1.0	-41.12	377.07	4.73	-36.39
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CC(O)CC	REAL300020312611	0	44	-1.0	-43.53	357.90	4.07	-39.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CC(O)CC	REAL300020312611	1	44	-1.0	-43.52	357.84	4.05	-39.47
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CC(O)CC	REAL300020312612	0	51	-1.0	-41.88	409.76	6.97	-34.91
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CC(O)CC	REAL300020312612	1	51	-1.0	-41.86	409.79	6.96	-34.90
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N(CC)CCCCO	REAL300020312613	0	47	-1.0	-43.57	383.29	4.24	-39.33
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N(CC)CCCCO	REAL300020312613	1	47	-1.0	-43.54	383.35	4.25	-39.29
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(CC)CCCCO	REAL300020312614	0	44	-1.0	-46.43	361.90	3.48	-42.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(CC)CCCCO	REAL300020312614	1	44	-1.0	-46.41	361.85	3.44	-42.97
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N(CC)CCCCO	REAL300020312615	0	51	-1.0	-44.66	410.60	6.22	-38.44
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N(CC)CCCCO	REAL300020312615	1	51	-1.0	-44.65	410.64	6.23	-38.42
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020312616	0	49	-1.0	-46.99	407.85	11.06	-35.93
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020312616	1	49	-1.0	-46.99	407.79	11.05	-35.94
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020312617	0	46	-1.0	-48.41	390.81	10.51	-37.90
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=CC=CC(OC2CCC2)=C1	REAL300020312617	1	46	-1.0	-48.49	390.75	10.49	-38.00
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020312618	0	43	-1.0	-43.51	362.55	6.16	-37.35
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020312618	1	43	-1.0	-43.46	362.60	6.18	-37.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020312619	0	40	-1.0	-44.40	344.69	5.73	-38.67
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020312619	1	40	-1.0	-44.44	344.64	5.70	-38.74
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020312620	0	47	-1.0	-44.72	391.96	8.32	-36.40
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC(=O)N(C)[C@@H]2C[C@@H]21	REAL300020312620	1	47	-1.0	-44.65	392.00	8.32	-36.33
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020312621	0	49	-1.0	-47.87	404.34	7.73	-40.14
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020312621	1	49	-1.0	-47.85	404.40	7.75	-40.10
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020312622	0	46	-1.0	-51.15	385.50	7.05	-44.10
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC(C)=NO2)CC1	REAL300020312622	1	46	-1.0	-51.15	385.55	7.07	-44.08
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020312624	0	45	-1.0	-45.19	377.14	8.28	-36.91
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CC#N)C(F)(F)CC1	REAL300020312624	1	45	-1.0	-45.17	377.19	8.30	-36.87
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020312625	0	53	-1.0	-50.96	416.78	2.97	-47.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020312625	1	53	-1.0	-50.98	416.84	2.99	-47.99
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020312626	0	50	-1.0	-53.28	399.58	2.10	-51.18
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CC1)CC(=O)NCC2O	REAL300020312626	1	50	-1.0	-53.24	399.64	2.12	-51.12
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020312627	0	50	-1.0	-45.97	416.28	8.79	-37.18
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020312627	1	50	-1.0	-45.96	416.34	8.80	-37.16
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020312628	0	47	-1.0	-48.18	397.93	8.10	-40.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CCC(=O)OC)C1	REAL300020312628	1	47	-1.0	-48.16	397.99	8.13	-40.03
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N(C)CCCN(CC)C1=CC=CC=C1	REAL300020312629	0	55	-1.0	-42.90	449.21	10.82	-32.08
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N(C)CCCN(CC)C1=CC=CC=C1	REAL300020312629	1	55	-1.0	-42.88	449.26	10.84	-32.04
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020312630	0	48	-1.0	-41.77	398.35	9.60	-32.17
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020312630	1	48	-1.0	-41.76	398.41	9.61	-32.15
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020312631	0	45	-1.0	-45.14	374.09	8.68	-36.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=CC=C(F)C=C2C1C	REAL300020312631	1	45	-1.0	-45.09	374.04	8.66	-36.43
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020312632	0	42	-1.0	-44.62	366.84	2.86	-41.76
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020312632	1	42	-1.0	-44.65	366.90	2.88	-41.77
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020312633	0	39	-1.0	-47.07	350.28	1.71	-45.36
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2=C(C1)C(=O)NC(=O)N2	REAL300020312633	1	39	-1.0	-47.08	350.22	1.69	-45.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020312634	0	47	-1.0	-42.67	388.16	4.70	-37.97
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020312634	1	47	-1.0	-42.68	388.22	4.71	-37.97
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020312635	0	44	-1.0	-42.08	370.41	4.02	-38.06
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC(=O)N2CCOCC2C1	REAL300020312635	1	44	-1.0	-42.08	370.47	4.05	-38.03
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020312636	0	42	-1.0	-39.98	355.06	8.43	-31.55
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020312636	1	42	-1.0	-39.94	355.12	8.45	-31.49
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020312637	0	39	-1.0	-41.13	333.61	7.67	-33.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020312637	1	39	-1.0	-41.13	333.56	7.65	-33.48
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020312638	0	46	-1.0	-42.50	378.38	10.55	-31.95
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1CC2CC(F)(C2)C1	REAL300020312638	1	46	-1.0	-42.53	378.41	10.54	-31.99
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020312639	0	40	-1.0	-44.17	328.60	4.60	-39.57
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020312639	1	40	-1.0	-44.15	328.65	4.62	-39.53
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020312640	0	37	-1.0	-46.83	307.05	3.88	-42.95
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020312640	1	37	-1.0	-46.81	307.00	3.86	-42.95
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020312641	0	44	-1.0	-45.67	358.04	6.46	-39.21
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2C[C@@H]1CO2	REAL300020312641	1	44	-1.0	-45.66	358.07	6.44	-39.22
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020312642	0	48	-1.0	-48.53	395.95	3.54	-44.99
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020312642	1	48	-1.0	-48.56	396.01	3.56	-45.00
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020312643	0	45	-1.0	-50.43	374.47	2.76	-47.67
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2(CNC(=O)N2)CC1	REAL300020312643	1	45	-1.0	-50.46	374.52	2.78	-47.68
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020312644	0	47	-1.0	-43.15	403.41	8.10	-35.05
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020312644	1	47	-1.0	-43.15	403.47	8.11	-35.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020312645	0	44	-1.0	-43.47	381.08	7.50	-35.97
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C(=O)OC)[C@H](F)C1	REAL300020312645	1	44	-1.0	-43.42	381.13	7.53	-35.89
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020312646	0	51	-1.0	-49.13	428.92	8.14	-40.99
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(COCC(=O)OC)CC1	REAL300020312646	1	51	-1.0	-49.18	428.97	8.17	-41.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020312647	0	47	-1.0	-43.67	395.17	10.97	-32.70
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020312647	1	47	-1.0	-43.65	395.11	10.96	-32.69
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020312648	0	44	-1.0	-45.81	373.69	10.20	-35.61
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1NC1=NN(CC(C)C)C=C1	REAL300020312648	1	44	-1.0	-45.79	373.63	10.16	-35.63
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020312649	0	48	-1.0	-49.75	394.98	5.60	-44.15
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020312649	1	48	-1.0	-49.78	395.03	5.61	-44.17
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020312650	0	45	-1.0	-52.81	377.01	4.99	-47.82
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(CNC(C)=O)C1	REAL300020312650	1	45	-1.0	-52.78	377.07	5.01	-47.77
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020312651	0	44	-1.0	-43.52	353.53	4.99	-38.53
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020312651	1	44	-1.0	-43.47	353.59	5.01	-38.46
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020312652	0	41	-1.0	-42.36	336.91	4.33	-38.03
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020312652	1	41	-1.0	-42.33	336.97	4.36	-37.97
C#CCCN1C(C2=CC=C(C3=N[N-]N=N3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020312653	0	48	-1.0	-43.04	388.66	7.28	-35.76
C#CCCN1C(C2=CC=C(C3=NN=N[N-]3)C=C2)=NN=C1N1C[C@H]2OCCO[C@H]2C1	REAL300020312653	1	48	-1.0	-42.98	388.69	7.26	-35.72
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020312654	0	53	-1.0	-42.90	422.38	8.92	-33.98
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020312654	1	53	-1.0	-42.94	422.44	8.93	-34.01
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020312655	0	50	-1.0	-45.14	400.30	8.38	-36.76
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1C[C@@H](C(=O)OC)[C@H](C(C)C)C1	REAL300020312655	1	50	-1.0	-45.17	400.35	8.39	-36.78
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CSC(N(C)C(C)=O)=N1	REAL300020312656	0	48	-1.0	-48.27	410.35	6.65	-41.62
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CSC(N(C)C(C)=O)=N1	REAL300020312656	1	48	-1.0	-48.29	410.29	6.62	-41.67
CCCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CSC(N(C)C(C)=O)=N1	REAL300020312657	0	48	-1.0	-48.27	410.35	6.65	-41.62
CCCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CSC(N(C)C(C)=O)=N1	REAL300020312657	1	48	-1.0	-48.29	410.29	6.62	-41.67
C#CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CSC(N(C)C(C)=O)=N1	REAL300020312658	0	44	-1.0	-47.69	393.33	6.59	-41.10
C#CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CSC(N(C)C(C)=O)=N1	REAL300020312658	1	44	-1.0	-47.75	393.27	6.56	-41.19
C=CCN(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CSC(N(C)C(C)=O)=N1	REAL300020312659	0	46	-1.0	-48.24	399.36	6.65	-41.59
C=CCN(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CSC(N(C)C(C)=O)=N1	REAL300020312659	1	46	-1.0	-48.23	399.31	6.63	-41.60
CC(=O)N(C)C1=NC(CN2C(CC3=NN=N[N-]3)=NN=C2N2CCCC2)=CS1	REAL300020312660	0	46	-1.0	-48.23	387.22	6.62	-41.61
CC(=O)N(C)C1=NC(CN2C(CC3=N[N-]N=N3)=NN=C2N2CCCC2)=CS1	REAL300020312660	1	46	-1.0	-48.21	387.14	6.60	-41.61
CON(C)C1=NN=C(CCC2=N[N-]N=N2)N1CC1=CSC(N(C)C(C)=O)=N1	REAL300020312661	0	46	-1.0	-47.72	403.91	6.60	-41.12
CON(C)C1=NN=C(CCC2=NN=N[N-]2)N1CC1=CSC(N(C)C(C)=O)=N1	REAL300020312661	1	46	-1.0	-47.78	403.97	6.61	-41.17
CON(C)C1=NN=C(CC2=NN=N[N-]2)N1CC1=CSC(N(C)C(C)=O)=N1	REAL300020312662	0	43	-1.0	-48.90	382.32	5.82	-43.08
CON(C)C1=NN=C(CC2=N[N-]N=N2)N1CC1=CSC(N(C)C(C)=O)=N1	REAL300020312662	1	43	-1.0	-48.86	382.26	5.79	-43.07